smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001236413156 1099587019 /nfs/dbraw/zinc/58/70/19/1099587019.db2.gz FBBZVWHEDZRSIA-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001236413156 1099587030 /nfs/dbraw/zinc/58/70/30/1099587030.db2.gz FBBZVWHEDZRSIA-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1 ZINC001206767659 1081616292 /nfs/dbraw/zinc/61/62/92/1081616292.db2.gz DFPOSHSCMZBIBQ-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1 ZINC001206767659 1081616295 /nfs/dbraw/zinc/61/62/95/1081616295.db2.gz DFPOSHSCMZBIBQ-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c[nH+]c2c(c1)CCCN2 ZINC001169690251 1081630138 /nfs/dbraw/zinc/63/01/38/1081630138.db2.gz VDKILTKAVUFHQN-KRWDZBQOSA-N 2 1 308.429 3.158 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(n3ncc4ccccc43)CC2)C1 ZINC001208613675 1081637288 /nfs/dbraw/zinc/63/72/88/1081637288.db2.gz XRJLNQZEBRMXSV-MRXNPFEDSA-N 2 1 312.461 3.015 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001206023556 1081665344 /nfs/dbraw/zinc/66/53/44/1081665344.db2.gz SNQZVRQSRNRRIO-QGZVFWFLSA-N 2 1 308.853 3.135 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208921165 1081667844 /nfs/dbraw/zinc/66/78/44/1081667844.db2.gz VCLWQEMRDCIPQS-SFHVURJKSA-N 2 1 316.489 3.446 20 0 DGADMP CCC(=O)C(C)(C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208921165 1081667846 /nfs/dbraw/zinc/66/78/46/1081667846.db2.gz VCLWQEMRDCIPQS-SFHVURJKSA-N 2 1 316.489 3.446 20 0 DGADMP CCC(=O)C(C)(C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208921165 1081667848 /nfs/dbraw/zinc/66/78/48/1081667848.db2.gz VCLWQEMRDCIPQS-SFHVURJKSA-N 2 1 316.489 3.446 20 0 DGADMP CCC(=O)C(C)(C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208921165 1081667850 /nfs/dbraw/zinc/66/78/50/1081667850.db2.gz VCLWQEMRDCIPQS-SFHVURJKSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)[C@@H](C)C1 ZINC001169987874 1081785662 /nfs/dbraw/zinc/78/56/62/1081785662.db2.gz FEIYLSOLSMLLNE-GOEBONIOSA-N 2 1 311.514 3.106 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266461811 1081857860 /nfs/dbraw/zinc/85/78/60/1081857860.db2.gz XCANLNZNJXMYCX-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266461811 1081857863 /nfs/dbraw/zinc/85/78/63/1081857863.db2.gz XCANLNZNJXMYCX-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398341568 1082134437 /nfs/dbraw/zinc/13/44/37/1082134437.db2.gz VGLRXOGXBQMGJF-ZXFPDNNPSA-N 2 1 324.443 3.477 20 0 DGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398341568 1082134439 /nfs/dbraw/zinc/13/44/39/1082134439.db2.gz VGLRXOGXBQMGJF-ZXFPDNNPSA-N 2 1 324.443 3.477 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1C[N@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC001170137823 1082180173 /nfs/dbraw/zinc/18/01/73/1082180173.db2.gz PCGHDHZFUQTXMN-LSDHHAIUSA-N 2 1 304.482 3.072 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1CN([C@@H]1CC[C@H](C)C1)CC2 ZINC001170137823 1082180176 /nfs/dbraw/zinc/18/01/76/1082180176.db2.gz PCGHDHZFUQTXMN-LSDHHAIUSA-N 2 1 304.482 3.072 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001266869492 1082289026 /nfs/dbraw/zinc/28/90/26/1082289026.db2.gz YOJSBFFYXFJCSK-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)CCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001170183293 1082305471 /nfs/dbraw/zinc/30/54/71/1082305471.db2.gz FRYAPQZISBXWRR-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192835 1082310706 /nfs/dbraw/zinc/31/07/06/1082310706.db2.gz KWZXBMRGGXKXFY-CADBVGFASA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCO1 ZINC001170195868 1082316255 /nfs/dbraw/zinc/31/62/55/1082316255.db2.gz KVCCOUHURKJHCH-GJZGRUSLSA-N 2 1 306.425 3.033 20 0 DGADMP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170263189 1082330731 /nfs/dbraw/zinc/33/07/31/1082330731.db2.gz JLZJGFYOPWCOQG-AWEZNQCLSA-N 2 1 310.869 3.101 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001207285439 1082521770 /nfs/dbraw/zinc/52/17/70/1082521770.db2.gz KKFUTKGKJGQWPN-SFHVURJKSA-N 2 1 304.478 3.426 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001207285439 1082521775 /nfs/dbraw/zinc/52/17/75/1082521775.db2.gz KKFUTKGKJGQWPN-SFHVURJKSA-N 2 1 304.478 3.426 20 0 DGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626660 1082621371 /nfs/dbraw/zinc/62/13/71/1082621371.db2.gz DTAOESHUMNANFE-IPLHWJFFSA-N 2 1 323.525 3.092 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592323 1082786452 /nfs/dbraw/zinc/78/64/52/1082786452.db2.gz CDZHHVZZIBPDEU-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592323 1082786455 /nfs/dbraw/zinc/78/64/55/1082786455.db2.gz CDZHHVZZIBPDEU-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592323 1082786459 /nfs/dbraw/zinc/78/64/59/1082786459.db2.gz CDZHHVZZIBPDEU-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001170599250 1082819890 /nfs/dbraw/zinc/81/98/90/1082819890.db2.gz MNRKTAYHLFIMPC-CEXWTWQISA-N 2 1 309.542 3.446 20 0 DGADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140404 1082823703 /nfs/dbraw/zinc/82/37/03/1082823703.db2.gz IFBFYCRZXPYDAK-CVEARBPZSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140404 1082823707 /nfs/dbraw/zinc/82/37/07/1082823707.db2.gz IFBFYCRZXPYDAK-CVEARBPZSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140404 1082823711 /nfs/dbraw/zinc/82/37/11/1082823711.db2.gz IFBFYCRZXPYDAK-CVEARBPZSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001170681075 1083104407 /nfs/dbraw/zinc/10/44/07/1083104407.db2.gz FIWUQACBTHMIGV-NSHDSACASA-N 2 1 318.384 3.018 20 0 DGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772445 1083329581 /nfs/dbraw/zinc/32/95/81/1083329581.db2.gz DHKAJJQPGAJTTF-CABCVRRESA-N 2 1 313.530 3.026 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001134772826 1083329774 /nfs/dbraw/zinc/32/97/74/1083329774.db2.gz IDUPZHHHNKWAGH-GJZGRUSLSA-N 2 1 313.530 3.026 20 0 DGADMP COc1ccc(SCC[N@@H+](C)CCCn2ccnc2)cc1 ZINC001181514757 1083477904 /nfs/dbraw/zinc/47/79/04/1083477904.db2.gz NNYRGZHKOFPHII-UHFFFAOYSA-N 2 1 305.447 3.006 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC(C(C)C)C(C)C ZINC001181485791 1083482482 /nfs/dbraw/zinc/48/24/82/1083482482.db2.gz JQALCAVRUGKZFE-GOSISDBHSA-N 2 1 311.558 3.263 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@](C)(OC)C1CC1 ZINC001181487741 1083482734 /nfs/dbraw/zinc/48/27/34/1083482734.db2.gz QHHJEXSZCDJJCW-IBGZPJMESA-N 2 1 304.478 3.385 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC001181592429 1083497153 /nfs/dbraw/zinc/49/71/53/1083497153.db2.gz ZSMGATVPZBGMKF-WBVHZDCISA-N 2 1 322.468 3.477 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC001181592429 1083497159 /nfs/dbraw/zinc/49/71/59/1083497159.db2.gz ZSMGATVPZBGMKF-WBVHZDCISA-N 2 1 322.468 3.477 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC001182055209 1083618277 /nfs/dbraw/zinc/61/82/77/1083618277.db2.gz YQCIVMFSTDMJJX-SFHVURJKSA-N 2 1 302.462 3.262 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@]1(C)CCCCO1 ZINC001183282972 1083922766 /nfs/dbraw/zinc/92/27/66/1083922766.db2.gz XXWRJOZSHWRLNZ-RLLQIKCJSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CC3SCCS3)CC2)cc1 ZINC000692852039 1083951975 /nfs/dbraw/zinc/95/19/75/1083951975.db2.gz ORUZMLRGXQGJMD-UHFFFAOYSA-N 2 1 308.516 3.047 20 0 DGADMP FC1(F)[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC001183708103 1084004812 /nfs/dbraw/zinc/00/48/12/1084004812.db2.gz DBJDFNVKOGDZQA-IAGOWNOFSA-N 2 1 306.400 3.252 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccccc1C(F)(F)F ZINC001648929986 1084029527 /nfs/dbraw/zinc/02/95/27/1084029527.db2.gz OSPVYRBACGXUMW-UHFFFAOYSA-N 2 1 323.362 3.499 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001167825167 1084116326 /nfs/dbraw/zinc/11/63/26/1084116326.db2.gz GMLTYSLELUQNIE-WMZOPIPTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001167834703 1084152108 /nfs/dbraw/zinc/15/21/08/1084152108.db2.gz MCACKXLPJLSMNT-HNNXBMFYSA-N 2 1 316.493 3.223 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001167835228 1084156706 /nfs/dbraw/zinc/15/67/06/1084156706.db2.gz PIIIUEVOAZXEPD-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CCCCOC(=O)[C@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167835915 1084158795 /nfs/dbraw/zinc/15/87/95/1084158795.db2.gz VWPVRLJJHDKLRH-SJORKVTESA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC001167837922 1084163741 /nfs/dbraw/zinc/16/37/41/1084163741.db2.gz NYEXSXLWQGRGOM-HNNXBMFYSA-N 2 1 306.450 3.358 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001205295926 1084168499 /nfs/dbraw/zinc/16/84/99/1084168499.db2.gz CNIPUDZTQGMZHA-TZMCWYRMSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001205295922 1084168877 /nfs/dbraw/zinc/16/88/77/1084168877.db2.gz CNIPUDZTQGMZHA-GXTWGEPZSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC001205296847 1084183925 /nfs/dbraw/zinc/18/39/25/1084183925.db2.gz UZGRATOAWLGLHG-DGCLKSJQSA-N 2 1 301.261 3.453 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306735 1084251734 /nfs/dbraw/zinc/25/17/34/1084251734.db2.gz ZOLFHTKRGQAMFK-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306735 1084251746 /nfs/dbraw/zinc/25/17/46/1084251746.db2.gz ZOLFHTKRGQAMFK-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001268160129 1084255911 /nfs/dbraw/zinc/25/59/11/1084255911.db2.gz QQKZAPXFQSUBHW-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167911829 1084620703 /nfs/dbraw/zinc/62/07/03/1084620703.db2.gz DHDLONWSRTYUFU-DZFIZOCASA-N 2 1 314.473 3.090 20 0 DGADMP Cc1cc(NCC2(c3ccccc3)CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001187189648 1084767461 /nfs/dbraw/zinc/76/74/61/1084767461.db2.gz FRFJBRPRLUKQRS-UHFFFAOYSA-N 2 1 310.445 3.169 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)co1 ZINC001167937411 1084866870 /nfs/dbraw/zinc/86/68/70/1084866870.db2.gz AVBCTHYONIAQTM-BCDXTJNWSA-N 2 1 300.446 3.366 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)[nH]1 ZINC001204734695 1084876092 /nfs/dbraw/zinc/87/60/92/1084876092.db2.gz BREDRIRWGMCILM-UHFFFAOYSA-N 2 1 324.900 3.371 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)[nH]1 ZINC001204734695 1084876098 /nfs/dbraw/zinc/87/60/98/1084876098.db2.gz BREDRIRWGMCILM-UHFFFAOYSA-N 2 1 324.900 3.371 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204735591 1085102938 /nfs/dbraw/zinc/10/29/38/1085102938.db2.gz ZCSDYVFHNVXREJ-UHFFFAOYSA-N 2 1 324.415 3.329 20 0 DGADMP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167959819 1085658666 /nfs/dbraw/zinc/65/86/66/1085658666.db2.gz SMJRCSNEQHNTDR-MQVJKMGUSA-N 2 1 305.853 3.230 20 0 DGADMP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccn1 ZINC001167959819 1085658671 /nfs/dbraw/zinc/65/86/71/1085658671.db2.gz SMJRCSNEQHNTDR-MQVJKMGUSA-N 2 1 305.853 3.230 20 0 DGADMP Cc1ccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cnc2c1 ZINC001167962024 1085732496 /nfs/dbraw/zinc/73/24/96/1085732496.db2.gz SIARFNZGNBUBRL-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP Cc1ccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cnc2c1 ZINC001167962024 1085732503 /nfs/dbraw/zinc/73/25/03/1085732503.db2.gz SIARFNZGNBUBRL-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP CC(C)[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167963905 1085822204 /nfs/dbraw/zinc/82/22/04/1085822204.db2.gz HTRAHJRVRDCFDU-IHWFROFDSA-N 3 1 319.537 3.102 20 0 DGADMP [NH3+]Cc1cnc2c(ccn2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964598 1085833067 /nfs/dbraw/zinc/83/30/67/1085833067.db2.gz UMDMKXWYTKBEBX-JWTNVVGKSA-N 2 1 310.445 3.073 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(O)c1 ZINC001167964830 1085841436 /nfs/dbraw/zinc/84/14/36/1085841436.db2.gz YLZKPDGFDBPCSZ-TZUVLKIQSA-N 2 1 300.446 3.448 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(O)c1 ZINC001167964830 1085841442 /nfs/dbraw/zinc/84/14/42/1085841442.db2.gz YLZKPDGFDBPCSZ-TZUVLKIQSA-N 2 1 300.446 3.448 20 0 DGADMP C[C@H](CCCC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965815 1085858162 /nfs/dbraw/zinc/85/81/62/1085858162.db2.gz NHVRVHVTDKVEBB-CCNLRDMRSA-N 2 1 308.510 3.311 20 0 DGADMP [NH3+]CCc1cn(-c2cc[nH+]cc2C(F)(F)F)c2ccc(O)cc12 ZINC001167986218 1085982788 /nfs/dbraw/zinc/98/27/88/1085982788.db2.gz PTDSXYYMNCHOLW-UHFFFAOYSA-N 2 1 321.302 3.251 20 0 DGADMP CCOc1nccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001204748411 1085988584 /nfs/dbraw/zinc/98/85/84/1085988584.db2.gz LAUIHUGQAQYALP-UHFFFAOYSA-N 2 1 323.868 3.099 20 0 DGADMP FC(F)(F)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995344 1086061290 /nfs/dbraw/zinc/06/12/90/1086061290.db2.gz BTTRKJSZMOPPBZ-JKXDFHQYSA-N 2 1 302.384 3.276 20 0 DGADMP FC(F)(F)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995344 1086061299 /nfs/dbraw/zinc/06/12/99/1086061299.db2.gz BTTRKJSZMOPPBZ-JKXDFHQYSA-N 2 1 302.384 3.276 20 0 DGADMP FC(F)(F)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995344 1086061311 /nfs/dbraw/zinc/06/13/11/1086061311.db2.gz BTTRKJSZMOPPBZ-JKXDFHQYSA-N 2 1 302.384 3.276 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+](C1CCC1)C1CCOCC1)C2 ZINC001168001898 1086107809 /nfs/dbraw/zinc/10/78/09/1086107809.db2.gz KBPLDQLZNXQIMQ-YOFSQIOKSA-N 2 1 318.505 3.425 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+](C1CCC1)C1CCOCC1)C2 ZINC001168001898 1086107813 /nfs/dbraw/zinc/10/78/13/1086107813.db2.gz KBPLDQLZNXQIMQ-YOFSQIOKSA-N 2 1 318.505 3.425 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+](C1CCC1)C1CCOCC1)C2 ZINC001168001898 1086107821 /nfs/dbraw/zinc/10/78/21/1086107821.db2.gz KBPLDQLZNXQIMQ-YOFSQIOKSA-N 2 1 318.505 3.425 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031407 1086462004 /nfs/dbraw/zinc/46/20/04/1086462004.db2.gz YZQROKNYYKZNIG-UKBAYJJMSA-N 2 1 304.478 3.443 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032931 1086467294 /nfs/dbraw/zinc/46/72/94/1086467294.db2.gz JNHWLZMPECBPOJ-NBMJBFSESA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC([NH+]2CCC(C)(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039648 1086498294 /nfs/dbraw/zinc/49/82/94/1086498294.db2.gz GUUUJGGMUWTDBY-IAGOWNOFSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1O ZINC001168041022 1086502717 /nfs/dbraw/zinc/50/27/17/1086502717.db2.gz QHXULLDUPGIZCH-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1O ZINC001168041022 1086502723 /nfs/dbraw/zinc/50/27/23/1086502723.db2.gz QHXULLDUPGIZCH-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1O ZINC001168041022 1086502731 /nfs/dbraw/zinc/50/27/31/1086502731.db2.gz QHXULLDUPGIZCH-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1O ZINC001168041022 1086502739 /nfs/dbraw/zinc/50/27/39/1086502739.db2.gz QHXULLDUPGIZCH-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC([N@H+]2C[C@@H]3CCO[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063268 1086647259 /nfs/dbraw/zinc/64/72/59/1086647259.db2.gz MONVAEMXXXSZQZ-ZTRFORPCSA-N 2 1 314.473 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137785 1086970714 /nfs/dbraw/zinc/97/07/14/1086970714.db2.gz OJHLVINWXBPKID-UZLBHIALSA-N 2 1 314.473 3.077 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137785 1086970717 /nfs/dbraw/zinc/97/07/17/1086970717.db2.gz OJHLVINWXBPKID-UZLBHIALSA-N 2 1 314.473 3.077 20 0 DGADMP CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001168298271 1087285423 /nfs/dbraw/zinc/28/54/23/1087285423.db2.gz JQKBGTVKIHDNAC-LBDPXKHJSA-N 2 1 312.498 3.205 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168314900 1087292357 /nfs/dbraw/zinc/29/23/57/1087292357.db2.gz HVASWZUXIQTDDJ-GTPINHCMSA-N 2 1 302.462 3.357 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001168322454 1087293547 /nfs/dbraw/zinc/29/35/47/1087293547.db2.gz BWPAEAYJOPBKSX-XBMUEBEBSA-N 3 1 307.526 3.200 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001168324257 1087293595 /nfs/dbraw/zinc/29/35/95/1087293595.db2.gz MBDGZTPINMXAPV-GPANFISMSA-N 2 1 310.482 3.055 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](C3CCC([NH+](C)C)CC3)C2)cc1 ZINC001168329472 1087296520 /nfs/dbraw/zinc/29/65/20/1087296520.db2.gz VLIXZAPBNQBBGE-WWDZGPRUSA-N 2 1 302.462 3.357 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168366739 1087408080 /nfs/dbraw/zinc/40/80/80/1087408080.db2.gz ZFYLIOKMOMACKL-UHFFFAOYSA-N 2 1 321.553 3.351 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC001212142126 1087512016 /nfs/dbraw/zinc/51/20/16/1087512016.db2.gz CMINXNWWGLPJTI-AWEZNQCLSA-N 2 1 306.385 3.044 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168391058 1087549484 /nfs/dbraw/zinc/54/94/84/1087549484.db2.gz LBLYHJKIHNLMCB-UHFFFAOYSA-N 2 1 302.462 3.044 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970662 1087613044 /nfs/dbraw/zinc/61/30/44/1087613044.db2.gz KDDMGROKLZYUME-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970662 1087613045 /nfs/dbraw/zinc/61/30/45/1087613045.db2.gz KDDMGROKLZYUME-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970662 1087613046 /nfs/dbraw/zinc/61/30/46/1087613046.db2.gz KDDMGROKLZYUME-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439353 1087697152 /nfs/dbraw/zinc/69/71/52/1087697152.db2.gz TVISHRQPOOUABV-IBGZPJMESA-N 2 1 304.453 3.489 20 0 DGADMP CC(=O)Nc1c(C)cc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158267257 1087751144 /nfs/dbraw/zinc/75/11/44/1087751144.db2.gz VWMQVLMSZGWZJG-RDTXWAMCSA-N 2 1 318.465 3.304 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCC13CCOCC3)CC2 ZINC001168459404 1087837511 /nfs/dbraw/zinc/83/75/11/1087837511.db2.gz SKBBMKNABYZCHK-QGZVFWFLSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCC13CCOCC3)CC2 ZINC001168459404 1087837537 /nfs/dbraw/zinc/83/75/37/1087837537.db2.gz SKBBMKNABYZCHK-QGZVFWFLSA-N 2 1 306.494 3.144 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NCC[C@H]2CCC[NH2+]2)nc1 ZINC001158632203 1087951916 /nfs/dbraw/zinc/95/19/16/1087951916.db2.gz PFFMHUWJXNKYFW-IAGOWNOFSA-N 2 1 302.466 3.183 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235465166 1088347063 /nfs/dbraw/zinc/34/70/63/1088347063.db2.gz HSFHMCVJGHYLKZ-UHFFFAOYSA-N 2 1 322.758 3.422 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235465166 1088347079 /nfs/dbraw/zinc/34/70/79/1088347079.db2.gz HSFHMCVJGHYLKZ-UHFFFAOYSA-N 2 1 322.758 3.422 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819071 1088373289 /nfs/dbraw/zinc/37/32/89/1088373289.db2.gz MDXDHGILVDKBHX-QZTJIDSGSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819071 1088373304 /nfs/dbraw/zinc/37/33/04/1088373304.db2.gz MDXDHGILVDKBHX-QZTJIDSGSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819071 1088373320 /nfs/dbraw/zinc/37/33/20/1088373320.db2.gz MDXDHGILVDKBHX-QZTJIDSGSA-N 2 1 323.525 3.042 20 0 DGADMP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc4[nH]ccc4c[nH+]3)c2C1 ZINC001159948625 1088564803 /nfs/dbraw/zinc/56/48/03/1088564803.db2.gz WKHKOTMCKWTEFH-CYBMUJFWSA-N 2 1 302.381 3.323 20 0 DGADMP CC[NH+](CC)c1ccc(Nc2cccc(N3CC([NH3+])C3)c2)cc1 ZINC001159988645 1088590168 /nfs/dbraw/zinc/59/01/68/1088590168.db2.gz BTIPDDOQEFYIMZ-UHFFFAOYSA-N 2 1 310.445 3.424 20 0 DGADMP Cc1cc(Nc2ccccc2OCC2CC[NH2+]CC2)c[nH+]c1N ZINC001160188908 1088693111 /nfs/dbraw/zinc/69/31/11/1088693111.db2.gz AEFBTXZROLSSRW-UHFFFAOYSA-N 2 1 312.417 3.094 20 0 DGADMP c1cc2c(c(Nc3cccc4cc[nH+]cc43)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394320 1088779218 /nfs/dbraw/zinc/77/92/18/1088779218.db2.gz HFVOZZCLLCECSR-RDTXWAMCSA-N 2 1 303.365 3.426 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2cc1F ZINC001155028601 1088904509 /nfs/dbraw/zinc/90/45/09/1088904509.db2.gz DFOZEDSJWJYLNW-OCCSQVGLSA-N 2 1 317.408 3.430 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001155034483 1088909809 /nfs/dbraw/zinc/90/98/09/1088909809.db2.gz WVNUTDQRZQCORN-KBPBESRZSA-N 2 1 301.438 3.060 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)c2cc1F ZINC001155124339 1088961336 /nfs/dbraw/zinc/96/13/36/1088961336.db2.gz UYSALTNGOJJHMO-QGZVFWFLSA-N 2 1 321.371 3.276 20 0 DGADMP Cc1c[nH+]c(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)cc1N ZINC001161180939 1089144241 /nfs/dbraw/zinc/14/42/41/1089144241.db2.gz KKWOUPGRARUDBQ-HNNXBMFYSA-N 2 1 316.836 3.312 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2C[NH+]3CCC2CC3)nc1 ZINC001155666932 1089206101 /nfs/dbraw/zinc/20/61/01/1089206101.db2.gz BIBSXZUHOSARFW-ROUUACIJSA-N 2 1 314.477 3.135 20 0 DGADMP Cc1cccc2cc[nH+]c(N3CCC([NH3+])(c4cccnc4)CC3)c12 ZINC001161586474 1089298819 /nfs/dbraw/zinc/29/88/19/1089298819.db2.gz CFCVATAYQZRGMM-UHFFFAOYSA-N 2 1 318.424 3.393 20 0 DGADMP CN(C)c1cc[nH+]c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001161885687 1089455060 /nfs/dbraw/zinc/45/50/60/1089455060.db2.gz ZWVISZQJYJVVEM-SFHVURJKSA-N 2 1 310.445 3.224 20 0 DGADMP Cc1nc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC001161885858 1089455153 /nfs/dbraw/zinc/45/51/53/1089455153.db2.gz BXWYXBJJFVUGCL-SFHVURJKSA-N 2 1 310.445 3.478 20 0 DGADMP Cc1nc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC001161885858 1089455155 /nfs/dbraw/zinc/45/51/55/1089455155.db2.gz BXWYXBJJFVUGCL-SFHVURJKSA-N 2 1 310.445 3.478 20 0 DGADMP COc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001156315178 1089475563 /nfs/dbraw/zinc/47/55/63/1089475563.db2.gz KOKHJUKZICVAAD-NZSAHSFTSA-N 2 1 323.440 3.413 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001162460676 1089742770 /nfs/dbraw/zinc/74/27/70/1089742770.db2.gz JTCJMRKXVFDIKQ-KGLIPLIRSA-N 2 1 312.461 3.489 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001162470060 1089750753 /nfs/dbraw/zinc/75/07/53/1089750753.db2.gz HRCDOOJYSJZZJO-BPQIPLTHSA-N 2 1 301.478 3.153 20 0 DGADMP Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC001156928672 1089752115 /nfs/dbraw/zinc/75/21/15/1089752115.db2.gz NEVQKGFXZXPIAV-HNNXBMFYSA-N 2 1 317.481 3.062 20 0 DGADMP Cc1nc(N2CCCC2)cc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001156928672 1089752129 /nfs/dbraw/zinc/75/21/29/1089752129.db2.gz NEVQKGFXZXPIAV-HNNXBMFYSA-N 2 1 317.481 3.062 20 0 DGADMP Cc1nc(N2CCCC2)cc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001156928672 1089752141 /nfs/dbraw/zinc/75/21/41/1089752141.db2.gz NEVQKGFXZXPIAV-HNNXBMFYSA-N 2 1 317.481 3.062 20 0 DGADMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001162777975 1089949748 /nfs/dbraw/zinc/94/97/48/1089949748.db2.gz GDAPMBLFGGSUKQ-ZBFHGGJFSA-N 2 1 320.440 3.464 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(N3C[C@@H]([NH3+])Cc4ccccc43)cc2)C1 ZINC001162854242 1089993158 /nfs/dbraw/zinc/99/31/58/1089993158.db2.gz NOVFGFGBQFOVRW-MSOLQXFVSA-N 2 1 307.441 3.127 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(N[C@H]3C[NH2+]Cc4ccsc43)cc2)C1 ZINC001163236665 1090129355 /nfs/dbraw/zinc/12/93/55/1090129355.db2.gz GNNAKKDILKBNFV-WBVHZDCISA-N 2 1 313.470 3.424 20 0 DGADMP Cc1c[nH+]c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001163270194 1090135556 /nfs/dbraw/zinc/13/55/56/1090135556.db2.gz NEIYIFKECOOWLS-HNAYVOBHSA-N 2 1 311.429 3.114 20 0 DGADMP Cc1c[nH+]c(NC2CCC(C[NH+](C)C)CC2)nc1NCC1CC1 ZINC001163296794 1090142264 /nfs/dbraw/zinc/14/22/64/1090142264.db2.gz TWIUUOMBYOSIEP-UHFFFAOYSA-N 2 1 317.481 3.139 20 0 DGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc(C[NH+]3CCCC3)cn2)[C@@H](C)C1 ZINC001163366197 1090166543 /nfs/dbraw/zinc/16/65/43/1090166543.db2.gz SKRZDIDCNBUPBH-WMZOPIPTSA-N 2 1 316.493 3.208 20 0 DGADMP CCCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001485476290 1090182475 /nfs/dbraw/zinc/18/24/75/1090182475.db2.gz QRJHWYQVWMVAOL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485476290 1090182480 /nfs/dbraw/zinc/18/24/80/1090182480.db2.gz QRJHWYQVWMVAOL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001485476290 1090182483 /nfs/dbraw/zinc/18/24/83/1090182483.db2.gz QRJHWYQVWMVAOL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1c[nH+]c(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001158167754 1090195068 /nfs/dbraw/zinc/19/50/68/1090195068.db2.gz YTZREDOOMWYRJR-IYARVYRRSA-N 2 1 310.445 3.370 20 0 DGADMP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001163669279 1090227682 /nfs/dbraw/zinc/22/76/82/1090227682.db2.gz LYCIXQIWVOTAFJ-GOSISDBHSA-N 2 1 306.413 3.066 20 0 DGADMP Cc1[nH+]c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc2[nH]ccc21 ZINC001163672544 1090228718 /nfs/dbraw/zinc/22/87/18/1090228718.db2.gz NEARVDMBAVVDFY-GOSISDBHSA-N 2 1 306.413 3.364 20 0 DGADMP Cc1[nH+]c(N2CC[N@H+](C)C[C@H]2c2ccccc2)cc2[nH]ccc21 ZINC001163672546 1090229233 /nfs/dbraw/zinc/22/92/33/1090229233.db2.gz NEARVDMBAVVDFY-SFHVURJKSA-N 2 1 306.413 3.364 20 0 DGADMP Cc1cc(OC(C)C)ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164216955 1090374810 /nfs/dbraw/zinc/37/48/10/1090374810.db2.gz NNPZABZLGKLWJE-UHFFFAOYSA-N 2 1 319.493 3.220 20 0 DGADMP CCCc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)nc(C)[nH+]1 ZINC001164439630 1090423645 /nfs/dbraw/zinc/42/36/45/1090423645.db2.gz UCRPMZPJVFNGCP-UHFFFAOYSA-N 2 1 324.472 3.234 20 0 DGADMP Cc1nc(C)c(C)c(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)n1 ZINC001165083632 1090462255 /nfs/dbraw/zinc/46/22/55/1090462255.db2.gz YQUFSWAGTJZGOH-OALUTQOASA-N 2 1 322.456 3.113 20 0 DGADMP c1cc2c3c([nH]c2c(N2CCC4(CCCC[NH2+]4)CC2)[nH+]1)CCC3 ZINC001165248292 1090488717 /nfs/dbraw/zinc/48/87/17/1090488717.db2.gz IOCDRUQCIYWWLK-UHFFFAOYSA-N 2 1 310.445 3.164 20 0 DGADMP C[N@@H+]1CCC[C@H](CCNc2[nH+]cccc2C2CCOCC2)C1 ZINC001165272762 1090494016 /nfs/dbraw/zinc/49/40/16/1090494016.db2.gz KUMYZAAOJNSWMS-OAHLLOKOSA-N 2 1 303.450 3.119 20 0 DGADMP C[N@H+]1CCC[C@H](CCNc2[nH+]cccc2C2CCOCC2)C1 ZINC001165272762 1090494021 /nfs/dbraw/zinc/49/40/21/1090494021.db2.gz KUMYZAAOJNSWMS-OAHLLOKOSA-N 2 1 303.450 3.119 20 0 DGADMP Cc1c[nH+]c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(C)c1 ZINC001165305110 1090499476 /nfs/dbraw/zinc/49/94/76/1090499476.db2.gz VHUHCNVRYLTFNI-CYBMUJFWSA-N 2 1 313.367 3.352 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H](C)C3)CC2)oc1C ZINC001649090664 1090593835 /nfs/dbraw/zinc/59/38/35/1090593835.db2.gz JHBAVHDPTFARPJ-GUYCJALGSA-N 2 1 305.466 3.282 20 0 DGADMP COc1ccc([C@H]2C[C@@H]([N@@H+](C)C3CCC([NH3+])CC3)CCO2)cc1 ZINC001168594375 1090594756 /nfs/dbraw/zinc/59/47/56/1090594756.db2.gz GTRLCRYFHZRTQW-BXNZUYAZSA-N 2 1 318.461 3.117 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531845 1090627223 /nfs/dbraw/zinc/62/72/23/1090627223.db2.gz JWQJJQKBHDIDLC-VQTJNVASSA-N 3 1 315.505 3.113 20 0 DGADMP CCc1nc(C)c(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)[nH]1 ZINC001203243537 1090707144 /nfs/dbraw/zinc/70/71/44/1090707144.db2.gz LZARCKIXHNXBFZ-HNNXBMFYSA-N 2 1 303.381 3.073 20 0 DGADMP CCOc1ccccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001203547702 1090752944 /nfs/dbraw/zinc/75/29/44/1090752944.db2.gz SRWRGOIICWCQJS-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP Cc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203701302 1090784292 /nfs/dbraw/zinc/78/42/92/1090784292.db2.gz RTSZIVUKCLLMDE-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001203701302 1090784295 /nfs/dbraw/zinc/78/42/95/1090784295.db2.gz RTSZIVUKCLLMDE-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203701302 1090784297 /nfs/dbraw/zinc/78/42/97/1090784297.db2.gz RTSZIVUKCLLMDE-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203701302 1090784299 /nfs/dbraw/zinc/78/42/99/1090784299.db2.gz RTSZIVUKCLLMDE-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(OC)c1 ZINC001203859351 1090821890 /nfs/dbraw/zinc/82/18/90/1090821890.db2.gz NQRFHUDJDXACDC-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867853 1090823539 /nfs/dbraw/zinc/82/35/39/1090823539.db2.gz RWWQNYKTEKGVFZ-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867853 1090823542 /nfs/dbraw/zinc/82/35/42/1090823542.db2.gz RWWQNYKTEKGVFZ-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867853 1090823546 /nfs/dbraw/zinc/82/35/46/1090823546.db2.gz RWWQNYKTEKGVFZ-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867853 1090823552 /nfs/dbraw/zinc/82/35/52/1090823552.db2.gz RWWQNYKTEKGVFZ-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1O ZINC001203870829 1090824443 /nfs/dbraw/zinc/82/44/43/1090824443.db2.gz DAPYAKZYKLRUNA-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1O ZINC001203870829 1090824447 /nfs/dbraw/zinc/82/44/47/1090824447.db2.gz DAPYAKZYKLRUNA-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1O ZINC001203870829 1090824451 /nfs/dbraw/zinc/82/44/51/1090824451.db2.gz DAPYAKZYKLRUNA-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1O ZINC001203870829 1090824454 /nfs/dbraw/zinc/82/44/54/1090824454.db2.gz DAPYAKZYKLRUNA-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204077305 1090893205 /nfs/dbraw/zinc/89/32/05/1090893205.db2.gz OHPMCFBHWBENCN-NHCUHLMSSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204077305 1090893210 /nfs/dbraw/zinc/89/32/10/1090893210.db2.gz OHPMCFBHWBENCN-NHCUHLMSSA-N 2 1 321.468 3.426 20 0 DGADMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276442214 1090904799 /nfs/dbraw/zinc/90/47/99/1090904799.db2.gz ALQAZHQDKSKLNW-RBUKOAKNSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCCO1)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276442214 1090904805 /nfs/dbraw/zinc/90/48/05/1090904805.db2.gz ALQAZHQDKSKLNW-RBUKOAKNSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCCO1)[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276442214 1090904810 /nfs/dbraw/zinc/90/48/10/1090904810.db2.gz ALQAZHQDKSKLNW-RBUKOAKNSA-N 2 1 306.494 3.286 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204269787 1090937537 /nfs/dbraw/zinc/93/75/37/1090937537.db2.gz JWJCXKJGBUPKQI-LJQANCHMSA-N 2 1 320.477 3.016 20 0 DGADMP CC/C=C\CCC[NH+]1CCC2(CC[N@@H+](COCCOC)C2)CC1 ZINC001276465935 1090973259 /nfs/dbraw/zinc/97/32/59/1090973259.db2.gz UPXJVYPGLIMYLH-PLNGDYQASA-N 2 1 324.509 3.141 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276470622 1090990582 /nfs/dbraw/zinc/99/05/82/1090990582.db2.gz OAUMIJSWYRVSRR-INIZCTEOSA-N 2 1 321.534 3.444 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1F ZINC001204561744 1090999821 /nfs/dbraw/zinc/99/98/21/1090999821.db2.gz RYJUUNBUKLWKAS-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)CC1 ZINC001204690357 1091018159 /nfs/dbraw/zinc/01/81/59/1091018159.db2.gz PWKVMUNQQWFUOQ-FXAWDEMLSA-N 2 1 316.489 3.489 20 0 DGADMP COc1cccc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727938 1091024271 /nfs/dbraw/zinc/02/42/71/1091024271.db2.gz XCEDLSJMEGAQNY-UHFFFAOYSA-N 2 1 302.462 3.093 20 0 DGADMP Cc1cccc(C[N@H+](C)Cc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001204848587 1091046871 /nfs/dbraw/zinc/04/68/71/1091046871.db2.gz OFTQVHPUQGFWBB-UHFFFAOYSA-N 2 1 323.484 3.032 20 0 DGADMP c1cc2n(c1)CC[N@H+](CCC1CC[NH2+]CC1)[C@@H]2c1ccccc1 ZINC001204877399 1091052676 /nfs/dbraw/zinc/05/26/76/1091052676.db2.gz IKOAMBXPXNSEIC-HXUWFJFHSA-N 2 1 309.457 3.283 20 0 DGADMP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)ccc21 ZINC001204918491 1091062750 /nfs/dbraw/zinc/06/27/50/1091062750.db2.gz FXIRTKLOLDLZHX-LDLYASANSA-N 2 1 319.452 3.451 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001205000292 1091080618 /nfs/dbraw/zinc/08/06/18/1091080618.db2.gz CLMRBHMXWNGIDG-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001205015743 1091084134 /nfs/dbraw/zinc/08/41/34/1091084134.db2.gz DUHMGEHHAGPXHD-LBPRGKRZSA-N 2 1 319.836 3.025 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001205015743 1091084141 /nfs/dbraw/zinc/08/41/41/1091084141.db2.gz DUHMGEHHAGPXHD-LBPRGKRZSA-N 2 1 319.836 3.025 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205016203 1091084712 /nfs/dbraw/zinc/08/47/12/1091084712.db2.gz GSPRZYCDLBTKRK-AWEZNQCLSA-N 2 1 301.409 3.252 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205016203 1091084717 /nfs/dbraw/zinc/08/47/17/1091084717.db2.gz GSPRZYCDLBTKRK-AWEZNQCLSA-N 2 1 301.409 3.252 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001205058823 1091092531 /nfs/dbraw/zinc/09/25/31/1091092531.db2.gz VHBTVCBZZLTSEA-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001205058823 1091092533 /nfs/dbraw/zinc/09/25/33/1091092533.db2.gz VHBTVCBZZLTSEA-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cccc(C)c2C)CC1 ZINC001205088871 1091099003 /nfs/dbraw/zinc/09/90/03/1091099003.db2.gz LELFSAGPCFPKIU-HXUWFJFHSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC001205088871 1091099009 /nfs/dbraw/zinc/09/90/09/1091099009.db2.gz LELFSAGPCFPKIU-HXUWFJFHSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC001205088871 1091099016 /nfs/dbraw/zinc/09/90/16/1091099016.db2.gz LELFSAGPCFPKIU-HXUWFJFHSA-N 2 1 316.489 3.379 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001205094813 1091100848 /nfs/dbraw/zinc/10/08/48/1091100848.db2.gz QDARMSODFXCKHB-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001205109314 1091104665 /nfs/dbraw/zinc/10/46/65/1091104665.db2.gz DZNWGMVERKBVGQ-OAHLLOKOSA-N 2 1 303.837 3.444 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205110707 1091105744 /nfs/dbraw/zinc/10/57/44/1091105744.db2.gz YRGQCTNAQNOBBQ-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205110707 1091105748 /nfs/dbraw/zinc/10/57/48/1091105748.db2.gz YRGQCTNAQNOBBQ-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205116722 1091106699 /nfs/dbraw/zinc/10/66/99/1091106699.db2.gz HDWVEYXQUKTLQS-MRXNPFEDSA-N 2 1 303.450 3.106 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205116722 1091106701 /nfs/dbraw/zinc/10/67/01/1091106701.db2.gz HDWVEYXQUKTLQS-MRXNPFEDSA-N 2 1 303.450 3.106 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123856 1091108206 /nfs/dbraw/zinc/10/82/06/1091108206.db2.gz GDLSDQRABAVFCL-GOSISDBHSA-N 2 1 311.429 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC1 ZINC001205124397 1091108357 /nfs/dbraw/zinc/10/83/57/1091108357.db2.gz PZEVXTCSSIYBIV-OAHLLOKOSA-N 2 1 317.383 3.340 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC001205145782 1091111780 /nfs/dbraw/zinc/11/17/80/1091111780.db2.gz GRYUTWCSIJGUBD-GXSJLCMTSA-N 2 1 322.758 3.265 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC001205145782 1091111782 /nfs/dbraw/zinc/11/17/82/1091111782.db2.gz GRYUTWCSIJGUBD-GXSJLCMTSA-N 2 1 322.758 3.265 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001205247394 1091147340 /nfs/dbraw/zinc/14/73/40/1091147340.db2.gz GOQKICFXODAXLO-INIZCTEOSA-N 2 1 322.499 3.152 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1Cl ZINC001205249741 1091147506 /nfs/dbraw/zinc/14/75/06/1091147506.db2.gz ZGUGKIIURHCHKJ-QGZVFWFLSA-N 2 1 310.869 3.139 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1Cl ZINC001205249739 1091147881 /nfs/dbraw/zinc/14/78/81/1091147881.db2.gz ZGUGKIIURHCHKJ-KRWDZBQOSA-N 2 1 310.869 3.139 20 0 DGADMP Cc1c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cccc1-c1ccccc1 ZINC001205247885 1091147925 /nfs/dbraw/zinc/14/79/25/1091147925.db2.gz KQIUDRCUKUCTGH-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205273084 1091158530 /nfs/dbraw/zinc/15/85/30/1091158530.db2.gz DPZBBSMKOKUPSX-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205273084 1091158533 /nfs/dbraw/zinc/15/85/33/1091158533.db2.gz DPZBBSMKOKUPSX-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)ccc2O1 ZINC001205273996 1091160646 /nfs/dbraw/zinc/16/06/46/1091160646.db2.gz RHISXBMRURYPAU-IBGZPJMESA-N 2 1 302.462 3.494 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205280937 1091162460 /nfs/dbraw/zinc/16/24/60/1091162460.db2.gz MLTNIRCGXCBDIZ-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205280937 1091162463 /nfs/dbraw/zinc/16/24/63/1091162463.db2.gz MLTNIRCGXCBDIZ-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205281166 1091164559 /nfs/dbraw/zinc/16/45/59/1091164559.db2.gz QQTSUQJTXUTLBY-KRWDZBQOSA-N 2 1 324.852 3.220 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205281166 1091164561 /nfs/dbraw/zinc/16/45/61/1091164561.db2.gz QQTSUQJTXUTLBY-KRWDZBQOSA-N 2 1 324.852 3.220 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001205289244 1091167479 /nfs/dbraw/zinc/16/74/79/1091167479.db2.gz VCOHYBWKDJIGHT-QGZVFWFLSA-N 2 1 320.387 3.058 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205297080 1091171920 /nfs/dbraw/zinc/17/19/20/1091171920.db2.gz YPVCHWCCNHENMJ-GXTWGEPZSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)C[C@@H]1C[NH3+] ZINC001205303794 1091175127 /nfs/dbraw/zinc/17/51/27/1091175127.db2.gz KICAVYKZRZDDLA-OCCSQVGLSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)C[C@H]1C[NH3+] ZINC001205314396 1091179719 /nfs/dbraw/zinc/17/97/19/1091179719.db2.gz BKUMLSIOEBZECL-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)C[C@H]1C[NH3+] ZINC001205314396 1091179723 /nfs/dbraw/zinc/17/97/23/1091179723.db2.gz BKUMLSIOEBZECL-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205318527 1091183865 /nfs/dbraw/zinc/18/38/65/1091183865.db2.gz VQCGVZZFJLSOTR-QAPCUYQASA-N 3 1 313.489 3.105 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205318527 1091183871 /nfs/dbraw/zinc/18/38/71/1091183871.db2.gz VQCGVZZFJLSOTR-QAPCUYQASA-N 2 1 313.489 3.105 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC001205319097 1091184104 /nfs/dbraw/zinc/18/41/04/1091184104.db2.gz YRGCUXYDIVVCIT-QWHCGFSZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC001205319097 1091184108 /nfs/dbraw/zinc/18/41/08/1091184108.db2.gz YRGCUXYDIVVCIT-QWHCGFSZSA-N 2 1 303.837 3.305 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+](C)CCC[NH+]3CCCC3)c2c1 ZINC001138509417 1091210024 /nfs/dbraw/zinc/21/00/24/1091210024.db2.gz ROALEOIXOISOMR-UHFFFAOYSA-N 2 1 301.434 3.094 20 0 DGADMP COc1ccc2[nH]cc(C[N@@H+](C)CCC[NH+]3CCCC3)c2c1 ZINC001138509417 1091210032 /nfs/dbraw/zinc/21/00/32/1091210032.db2.gz ROALEOIXOISOMR-UHFFFAOYSA-N 2 1 301.434 3.094 20 0 DGADMP CC(C)(C)[C@@]1(C[NH2+][C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205415005 1091216361 /nfs/dbraw/zinc/21/63/61/1091216361.db2.gz UMZOPHFLZZMFKK-AZUAARDMSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC001138543096 1091222772 /nfs/dbraw/zinc/22/27/72/1091222772.db2.gz KCXRUGABRQGYGK-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC001138547208 1091223917 /nfs/dbraw/zinc/22/39/17/1091223917.db2.gz HRRQCSMABGXTSC-MRXNPFEDSA-N 2 1 303.356 3.412 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC001138547208 1091223926 /nfs/dbraw/zinc/22/39/26/1091223926.db2.gz HRRQCSMABGXTSC-MRXNPFEDSA-N 2 1 303.356 3.412 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559741 1091253402 /nfs/dbraw/zinc/25/34/02/1091253402.db2.gz UHUZREYNPAFEDZ-INIZCTEOSA-N 2 1 314.832 3.392 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001205559254 1091253499 /nfs/dbraw/zinc/25/34/99/1091253499.db2.gz POIGTTRTIXNIMD-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205571256 1091259483 /nfs/dbraw/zinc/25/94/83/1091259483.db2.gz SBLHZFOBELUUMB-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2-c2ccncc2)CC1 ZINC001205578412 1091264662 /nfs/dbraw/zinc/26/46/62/1091264662.db2.gz BDCCDTIZNCDBDE-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001205578393 1091265491 /nfs/dbraw/zinc/26/54/91/1091265491.db2.gz ATYQGUQXNBZEPH-LBPRGKRZSA-N 2 1 321.259 3.164 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001205582670 1091266149 /nfs/dbraw/zinc/26/61/49/1091266149.db2.gz XZGFCSUVFWNSAH-GOSISDBHSA-N 2 1 319.399 3.474 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1F ZINC001205592566 1091269579 /nfs/dbraw/zinc/26/95/79/1091269579.db2.gz WMVQRDSFJXZANU-KRWDZBQOSA-N 2 1 312.404 3.266 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1OC(C)C ZINC001205592557 1091270093 /nfs/dbraw/zinc/27/00/93/1091270093.db2.gz WBOLBPPHYVSCIR-SFHVURJKSA-N 2 1 308.441 3.435 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1C(F)F ZINC001205591149 1091270552 /nfs/dbraw/zinc/27/05/52/1091270552.db2.gz FQBSHGWGVWKRKR-MRXNPFEDSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205591131 1091270609 /nfs/dbraw/zinc/27/06/09/1091270609.db2.gz FEIJSWKNXYGAGU-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(O)cc3ccccc32)CC1 ZINC001205591726 1091270916 /nfs/dbraw/zinc/27/09/16/1091270916.db2.gz OJMCTYGOWRNNJU-GOSISDBHSA-N 2 1 302.393 3.198 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205602544 1091273900 /nfs/dbraw/zinc/27/39/00/1091273900.db2.gz JKVHJHOVISSTFR-QWHCGFSZSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCCOCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205603634 1091275866 /nfs/dbraw/zinc/27/58/66/1091275866.db2.gz RJVPQOKOKVLTGO-IEBWSBKVSA-N 2 1 304.478 3.290 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205625982 1091285332 /nfs/dbraw/zinc/28/53/32/1091285332.db2.gz DIGNMGIRLXDAAU-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205625248 1091286631 /nfs/dbraw/zinc/28/66/31/1091286631.db2.gz AIVHTKLXUGIDFY-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205628309 1091288050 /nfs/dbraw/zinc/28/80/50/1091288050.db2.gz UXJJCIZVDUEWIF-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC[C@@H]1C[NH3+] ZINC001205651341 1091296774 /nfs/dbraw/zinc/29/67/74/1091296774.db2.gz CVAYDLALICRABZ-DZGCQCFKSA-N 2 1 317.408 3.288 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1 ZINC001205652447 1091297668 /nfs/dbraw/zinc/29/76/68/1091297668.db2.gz PQFCUJOYWYAUSV-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC([NH+]3CCC3)CC2)c(C)c1C ZINC001138726669 1091303499 /nfs/dbraw/zinc/30/34/99/1091303499.db2.gz HGFIBYREPCJSSP-UHFFFAOYSA-N 2 1 302.462 3.291 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001205681771 1091309832 /nfs/dbraw/zinc/30/98/32/1091309832.db2.gz NRDMASQSZAJIKB-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cnoc1)CC2 ZINC001205685502 1091312143 /nfs/dbraw/zinc/31/21/43/1091312143.db2.gz YJPYIPNSJDDSFL-QGZVFWFLSA-N 2 1 315.417 3.144 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccnc3)cc2)CCC1(F)F ZINC001205772157 1091341121 /nfs/dbraw/zinc/34/11/21/1091341121.db2.gz YIVFMSXGCLBCOH-KRWDZBQOSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccnc3)cc2)CCC1(F)F ZINC001205772157 1091341130 /nfs/dbraw/zinc/34/11/30/1091341130.db2.gz YIVFMSXGCLBCOH-KRWDZBQOSA-N 2 1 317.383 3.165 20 0 DGADMP Cc1cccnc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813802 1091361320 /nfs/dbraw/zinc/36/13/20/1091361320.db2.gz JRSDBTWRPPYUQZ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813802 1091361327 /nfs/dbraw/zinc/36/13/27/1091361327.db2.gz JRSDBTWRPPYUQZ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813802 1091361335 /nfs/dbraw/zinc/36/13/35/1091361335.db2.gz JRSDBTWRPPYUQZ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813802 1091361341 /nfs/dbraw/zinc/36/13/41/1091361341.db2.gz JRSDBTWRPPYUQZ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813802 1091361348 /nfs/dbraw/zinc/36/13/48/1091361348.db2.gz JRSDBTWRPPYUQZ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941580 1091386017 /nfs/dbraw/zinc/38/60/17/1091386017.db2.gz KUPHMVIIQUYSHM-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941580 1091386028 /nfs/dbraw/zinc/38/60/28/1091386028.db2.gz KUPHMVIIQUYSHM-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941580 1091386039 /nfs/dbraw/zinc/38/60/39/1091386039.db2.gz KUPHMVIIQUYSHM-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941580 1091386051 /nfs/dbraw/zinc/38/60/51/1091386051.db2.gz KUPHMVIIQUYSHM-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2nccs2)c1 ZINC001205902474 1091400369 /nfs/dbraw/zinc/40/03/69/1091400369.db2.gz JXHKSSLRGFPAOE-BBRMVZONSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001205904186 1091401429 /nfs/dbraw/zinc/40/14/29/1091401429.db2.gz SRJPNPBPSPXFNK-DZGCQCFKSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001205912882 1091408156 /nfs/dbraw/zinc/40/81/56/1091408156.db2.gz DMPSLQQAUGAZMD-YOEHRIQHSA-N 2 1 318.461 3.201 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205914430 1091409562 /nfs/dbraw/zinc/40/95/62/1091409562.db2.gz LWDXJVSDMTTXQP-WMLDXEAASA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915858 1091409679 /nfs/dbraw/zinc/40/96/79/1091409679.db2.gz RACJRABQBBUXLC-WBVHZDCISA-N 2 1 317.477 3.352 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915858 1091409687 /nfs/dbraw/zinc/40/96/87/1091409687.db2.gz RACJRABQBBUXLC-WBVHZDCISA-N 2 1 317.477 3.352 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205916189 1091411263 /nfs/dbraw/zinc/41/12/63/1091411263.db2.gz SOHYEAOYAHALDB-QWHCGFSZSA-N 2 1 316.367 3.453 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205917307 1091411815 /nfs/dbraw/zinc/41/18/15/1091411815.db2.gz YHXRXOKOKAYLJR-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205917307 1091411822 /nfs/dbraw/zinc/41/18/22/1091411822.db2.gz YHXRXOKOKAYLJR-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@]1(F)CCCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001139056181 1091432902 /nfs/dbraw/zinc/43/29/02/1091432902.db2.gz YQQYEDBPUYPWDS-IBGZPJMESA-N 2 1 320.452 3.233 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205991363 1091437874 /nfs/dbraw/zinc/43/78/74/1091437874.db2.gz AFOXIJQGHXSZJZ-NVXWUHKLSA-N 2 1 312.461 3.192 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205995168 1091441104 /nfs/dbraw/zinc/44/11/04/1091441104.db2.gz NGNTXBWVGYLZAK-JSGCOSHPSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205997086 1091441531 /nfs/dbraw/zinc/44/15/31/1091441531.db2.gz ZRCVWIIUTLPARB-STQMWFEESA-N 2 1 316.367 3.392 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)cncc2Cl)CCC[C@H]1C[NH3+] ZINC001205996421 1091441660 /nfs/dbraw/zinc/44/16/60/1091441660.db2.gz WWMRQZPPSFJRGF-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001206003174 1091444150 /nfs/dbraw/zinc/44/41/50/1091444150.db2.gz FRHZIFHPYMOUTR-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cscc2Br)CCC[C@H]1C[NH3+] ZINC001206005334 1091445751 /nfs/dbraw/zinc/44/57/51/1091445751.db2.gz XUJXPVDAGDHCLL-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004545 1091446373 /nfs/dbraw/zinc/44/63/73/1091446373.db2.gz SZLGQJUJUBVULA-DGCLKSJQSA-N 2 1 315.383 3.216 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@H]1C[NH3+] ZINC001206012287 1091449699 /nfs/dbraw/zinc/44/96/99/1091449699.db2.gz JWHQEQZIAHDZHQ-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206012344 1091450111 /nfs/dbraw/zinc/45/01/11/1091450111.db2.gz KRPDLLJLCPEYDN-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012285 1091450340 /nfs/dbraw/zinc/45/03/40/1091450340.db2.gz JWHQEQZIAHDZHQ-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1F ZINC001206014494 1091452107 /nfs/dbraw/zinc/45/21/07/1091452107.db2.gz WYTFDHVWRKMLTH-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206014096 1091452235 /nfs/dbraw/zinc/45/22/35/1091452235.db2.gz VYZURXUQRABITK-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CCC[C@@H]1C[NH3+] ZINC001206014981 1091452340 /nfs/dbraw/zinc/45/23/40/1091452340.db2.gz YWNWSKGZXPJTGJ-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CCC[C@@H]1C[NH3+] ZINC001206022746 1091455190 /nfs/dbraw/zinc/45/51/90/1091455190.db2.gz CPWZLOAWRNDMDQ-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2F)CCC[C@@H]1C[NH3+] ZINC001206026427 1091456780 /nfs/dbraw/zinc/45/67/80/1091456780.db2.gz RXPBOQPPCNKXAC-NWDGAFQWSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206028321 1091457295 /nfs/dbraw/zinc/45/72/95/1091457295.db2.gz YGMRZQIGNBPGPT-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206028321 1091457303 /nfs/dbraw/zinc/45/73/03/1091457303.db2.gz YGMRZQIGNBPGPT-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)ccnc12 ZINC001206027249 1091457714 /nfs/dbraw/zinc/45/77/14/1091457714.db2.gz VHYKJLRGHFSJLV-LSDHHAIUSA-N 2 1 313.445 3.050 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206036289 1091463320 /nfs/dbraw/zinc/46/33/20/1091463320.db2.gz HRNRDJUTDQXWQN-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)cnc3F)CC2)C1 ZINC001276398151 1091482665 /nfs/dbraw/zinc/48/26/65/1091482665.db2.gz OBFAABUNCRSZSK-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc2O1 ZINC001206172801 1091519350 /nfs/dbraw/zinc/51/93/50/1091519350.db2.gz CBXBSLAKXONOJB-HOTGVXAUSA-N 2 1 306.425 3.051 20 0 DGADMP CCCC[NH+](CCCC)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324672 1091520655 /nfs/dbraw/zinc/52/06/55/1091520655.db2.gz LGXQIMCLUWWDIG-UHFFFAOYSA-N 2 1 324.538 3.297 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@H]1F ZINC001206175243 1091521949 /nfs/dbraw/zinc/52/19/49/1091521949.db2.gz SWXPEQMEUDHFDR-IAGOWNOFSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@H]1F ZINC001206175243 1091521958 /nfs/dbraw/zinc/52/19/58/1091521958.db2.gz SWXPEQMEUDHFDR-IAGOWNOFSA-N 2 1 317.383 3.149 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206185652 1091527288 /nfs/dbraw/zinc/52/72/88/1091527288.db2.gz OOJUARBGPCWXJB-ZIAGYGMSSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206185652 1091527294 /nfs/dbraw/zinc/52/72/94/1091527294.db2.gz OOJUARBGPCWXJB-ZIAGYGMSSA-N 2 1 304.331 3.275 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC[C@@H]1F ZINC001206200570 1091532648 /nfs/dbraw/zinc/53/26/48/1091532648.db2.gz RZDZZXIYKTWHKV-ROUUACIJSA-N 2 1 317.383 3.149 20 0 DGADMP c1cn(-c2ccc(C[N@@H+](C3CCC3)C3CCOCC3)cc2)cn1 ZINC001139364528 1091535339 /nfs/dbraw/zinc/53/53/39/1091535339.db2.gz VJLQPSPZMFOIFE-UHFFFAOYSA-N 2 1 311.429 3.406 20 0 DGADMP CCC1(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)COC1 ZINC001202926777 1091536653 /nfs/dbraw/zinc/53/66/53/1091536653.db2.gz LAMHMXZLRKYJSU-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CCC1(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC001202926777 1091536662 /nfs/dbraw/zinc/53/66/62/1091536662.db2.gz LAMHMXZLRKYJSU-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CCC1(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC001202926777 1091536667 /nfs/dbraw/zinc/53/66/67/1091536667.db2.gz LAMHMXZLRKYJSU-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC[C@@H]1F ZINC001206214692 1091537569 /nfs/dbraw/zinc/53/75/69/1091537569.db2.gz ZDXWKXDPOSEITD-ROUUACIJSA-N 2 1 317.383 3.149 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001206304244 1091568524 /nfs/dbraw/zinc/56/85/24/1091568524.db2.gz IFMCJYWXGAQKLA-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(OCC)c1 ZINC001206304330 1091569492 /nfs/dbraw/zinc/56/94/92/1091569492.db2.gz IWHYYXWQVZOAPL-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001206305261 1091571546 /nfs/dbraw/zinc/57/15/46/1091571546.db2.gz XXWBSJBFNVRZJI-INIZCTEOSA-N 2 1 310.825 3.020 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001206316733 1091574807 /nfs/dbraw/zinc/57/48/07/1091574807.db2.gz DGKSOUBFLSTYSS-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1cn2c(n1)CC[N@@H+](Cc1ccc(-c3ccsc3)nc1)CC2 ZINC001139506038 1091580784 /nfs/dbraw/zinc/58/07/84/1091580784.db2.gz YQHRHDNYFQPLRV-UHFFFAOYSA-N 2 1 310.426 3.065 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001206327301 1091581621 /nfs/dbraw/zinc/58/16/21/1091581621.db2.gz VBYGPSPAFGBNAY-IBGZPJMESA-N 2 1 316.493 3.023 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001206327016 1091581830 /nfs/dbraw/zinc/58/18/30/1091581830.db2.gz RLEONVUZMDTEKP-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206334855 1091583128 /nfs/dbraw/zinc/58/31/28/1091583128.db2.gz AAHBZUUGNAJAAD-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc2c1OCC=C2 ZINC001206335649 1091584071 /nfs/dbraw/zinc/58/40/71/1091584071.db2.gz HOHFIEDPGJIWLU-IBGZPJMESA-N 2 1 316.445 3.052 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206337948 1091584896 /nfs/dbraw/zinc/58/48/96/1091584896.db2.gz XDAIRTCOTFEGOW-OAHLLOKOSA-N 2 1 315.383 3.360 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206361504 1091598244 /nfs/dbraw/zinc/59/82/44/1091598244.db2.gz IHYOQDUGPLRETQ-GOSISDBHSA-N 2 1 301.409 3.130 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001206363170 1091600594 /nfs/dbraw/zinc/60/05/94/1091600594.db2.gz VMAZYFPFQZMHSR-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001206363170 1091600600 /nfs/dbraw/zinc/60/06/00/1091600600.db2.gz VMAZYFPFQZMHSR-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001206369388 1091601793 /nfs/dbraw/zinc/60/17/93/1091601793.db2.gz DAQJGGOGXUVVMR-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001206369388 1091601794 /nfs/dbraw/zinc/60/17/94/1091601794.db2.gz DAQJGGOGXUVVMR-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542028 1091661507 /nfs/dbraw/zinc/66/15/07/1091661507.db2.gz PJXJRHAQMWFZOI-BEFAXECRSA-N 2 1 318.461 3.045 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c(OCC3CC3)c2)C1 ZINC001206566316 1091671375 /nfs/dbraw/zinc/67/13/75/1091671375.db2.gz ZQRXFCPPKOQNAL-LJQANCHMSA-N 2 1 318.461 3.132 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001206575733 1091674389 /nfs/dbraw/zinc/67/43/89/1091674389.db2.gz XJPTUNUXOJCQHO-SFHVURJKSA-N 2 1 306.425 3.102 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001206575733 1091674392 /nfs/dbraw/zinc/67/43/92/1091674392.db2.gz XJPTUNUXOJCQHO-SFHVURJKSA-N 2 1 306.425 3.102 20 0 DGADMP CC(C)[N@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582786 1091678096 /nfs/dbraw/zinc/67/80/96/1091678096.db2.gz PTTCNUOUOMTAMF-CYBMUJFWSA-N 2 1 300.368 3.456 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582786 1091678099 /nfs/dbraw/zinc/67/80/99/1091678099.db2.gz PTTCNUOUOMTAMF-CYBMUJFWSA-N 2 1 300.368 3.456 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001139823361 1091680925 /nfs/dbraw/zinc/68/09/25/1091680925.db2.gz IHUNVBGYIISBLD-IYBDPMFKSA-N 2 1 313.470 3.112 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001139823361 1091680931 /nfs/dbraw/zinc/68/09/31/1091680931.db2.gz IHUNVBGYIISBLD-IYBDPMFKSA-N 2 1 313.470 3.112 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139823361 1091680937 /nfs/dbraw/zinc/68/09/37/1091680937.db2.gz IHUNVBGYIISBLD-IYBDPMFKSA-N 2 1 313.470 3.112 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139823361 1091680943 /nfs/dbraw/zinc/68/09/43/1091680943.db2.gz IHUNVBGYIISBLD-IYBDPMFKSA-N 2 1 313.470 3.112 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591342 1091681348 /nfs/dbraw/zinc/68/13/48/1091681348.db2.gz RVBDBWIFOKNNAN-QGZVFWFLSA-N 2 1 305.466 3.221 20 0 DGADMP CC(C)Oc1ncccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591342 1091681352 /nfs/dbraw/zinc/68/13/52/1091681352.db2.gz RVBDBWIFOKNNAN-QGZVFWFLSA-N 2 1 305.466 3.221 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589962 1091681743 /nfs/dbraw/zinc/68/17/43/1091681743.db2.gz JMQJGRIJNVGPIP-OAHLLOKOSA-N 2 1 312.404 3.326 20 0 DGADMP COc1c(F)cc(F)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589962 1091681747 /nfs/dbraw/zinc/68/17/47/1091681747.db2.gz JMQJGRIJNVGPIP-OAHLLOKOSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(OC)cc1C ZINC001206598440 1091684194 /nfs/dbraw/zinc/68/41/94/1091684194.db2.gz JOAARWNDVQCNMT-QGZVFWFLSA-N 2 1 320.477 3.365 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001206606814 1091686840 /nfs/dbraw/zinc/68/68/40/1091686840.db2.gz SYOOCDLBJLTBOX-IBGZPJMESA-N 2 1 304.478 3.434 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2ccccc2Br)C1 ZINC001206606255 1091687284 /nfs/dbraw/zinc/68/72/84/1091687284.db2.gz IFKDMQCOMPBICG-CYBMUJFWSA-N 2 1 311.267 3.052 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001206606815 1091687378 /nfs/dbraw/zinc/68/73/78/1091687378.db2.gz SYOOCDLBJLTBOX-LJQANCHMSA-N 2 1 304.478 3.434 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC001206615480 1091690621 /nfs/dbraw/zinc/69/06/21/1091690621.db2.gz FKTDUFXGGNTCJR-INIZCTEOSA-N 2 1 306.450 3.043 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206616822 1091690835 /nfs/dbraw/zinc/69/08/35/1091690835.db2.gz QUWYWRXXZMKAMK-NSHDSACASA-N 2 1 304.331 3.405 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206616822 1091690836 /nfs/dbraw/zinc/69/08/36/1091690836.db2.gz QUWYWRXXZMKAMK-NSHDSACASA-N 2 1 304.331 3.405 20 0 DGADMP CC(C)CCCC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001206619672 1091692015 /nfs/dbraw/zinc/69/20/15/1091692015.db2.gz FQOWUYYNTZHYCG-IBGZPJMESA-N 2 1 304.478 3.169 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cc4ccccc4n3C)CC2)cc[nH+]1 ZINC001139872949 1091698042 /nfs/dbraw/zinc/69/80/42/1091698042.db2.gz RWGLBFXVEKAXGW-UHFFFAOYSA-N 2 1 320.440 3.204 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001206673113 1091701024 /nfs/dbraw/zinc/70/10/24/1091701024.db2.gz CZBHUNXEHMEOJU-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccc(Br)cc1 ZINC001206760319 1091727235 /nfs/dbraw/zinc/72/72/35/1091727235.db2.gz CVEJOYFMQNPZHW-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001206768278 1091731076 /nfs/dbraw/zinc/73/10/76/1091731076.db2.gz IHMVKYCNZRQMDF-GJZGRUSLSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccn1-c1ccccc1F ZINC001206768278 1091731083 /nfs/dbraw/zinc/73/10/83/1091731083.db2.gz IHMVKYCNZRQMDF-GJZGRUSLSA-N 2 1 301.409 3.176 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001206768693 1091731874 /nfs/dbraw/zinc/73/18/74/1091731874.db2.gz LMAGUPYDCXOHER-GDBMZVCRSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770959 1091733317 /nfs/dbraw/zinc/73/33/17/1091733317.db2.gz VHMVEFBBZGKHQS-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770959 1091733323 /nfs/dbraw/zinc/73/33/23/1091733323.db2.gz VHMVEFBBZGKHQS-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001206782301 1091739278 /nfs/dbraw/zinc/73/92/78/1091739278.db2.gz TXILKGZIICCBAY-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206809934 1091749026 /nfs/dbraw/zinc/74/90/26/1091749026.db2.gz MLXHTYUGLINMKK-DGCLKSJQSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206809934 1091749033 /nfs/dbraw/zinc/74/90/33/1091749033.db2.gz MLXHTYUGLINMKK-DGCLKSJQSA-N 2 1 311.267 3.317 20 0 DGADMP COCC[N@H+](Cc1ccc(C2CC2)cc1)CC1CC[NH+](C)CC1 ZINC001207076257 1091838952 /nfs/dbraw/zinc/83/89/52/1091838952.db2.gz OPVVITTZMGUAAD-UHFFFAOYSA-N 2 1 316.489 3.354 20 0 DGADMP c1n[nH]cc1C[NH+]1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2CC1 ZINC001276513579 1091876264 /nfs/dbraw/zinc/87/62/64/1091876264.db2.gz NSRRXKNLKIFWSK-KDURUIRLSA-N 2 1 316.493 3.134 20 0 DGADMP c1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH+](CCC3CCCC3)C[C@H]2CC1 ZINC001276513579 1091876273 /nfs/dbraw/zinc/87/62/73/1091876273.db2.gz NSRRXKNLKIFWSK-KDURUIRLSA-N 2 1 316.493 3.134 20 0 DGADMP c1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](CCC3CCCC3)C[C@H]2CC1 ZINC001276513579 1091876280 /nfs/dbraw/zinc/87/62/80/1091876280.db2.gz NSRRXKNLKIFWSK-KDURUIRLSA-N 2 1 316.493 3.134 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1)OCc1ccccc1 ZINC001276511695 1091885589 /nfs/dbraw/zinc/88/55/89/1091885589.db2.gz HGRBHBHNQGSOBR-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1)OCc1ccccc1 ZINC001276511695 1091885594 /nfs/dbraw/zinc/88/55/94/1091885594.db2.gz HGRBHBHNQGSOBR-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC001276511695 1091885600 /nfs/dbraw/zinc/88/56/00/1091885600.db2.gz HGRBHBHNQGSOBR-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)CC(C)(C)C[NH+](C)C ZINC001207283157 1091911415 /nfs/dbraw/zinc/91/14/15/1091911415.db2.gz UFNJBBZVNHPBEX-MRXNPFEDSA-N 2 1 322.493 3.120 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)CC(C)(C)C[NH+](C)C ZINC001207283157 1091911417 /nfs/dbraw/zinc/91/14/17/1091911417.db2.gz UFNJBBZVNHPBEX-MRXNPFEDSA-N 2 1 322.493 3.120 20 0 DGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001207287250 1091912228 /nfs/dbraw/zinc/91/22/28/1091912228.db2.gz RDOIPHUOOZNNAY-QGZVFWFLSA-N 2 1 314.473 3.200 20 0 DGADMP CCN(CC)CC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286865 1091913070 /nfs/dbraw/zinc/91/30/70/1091913070.db2.gz OGUIPXDXTDITKI-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CC[NH+](CC)CCN(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286865 1091913076 /nfs/dbraw/zinc/91/30/76/1091913076.db2.gz OGUIPXDXTDITKI-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CCCO[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291288 1091913957 /nfs/dbraw/zinc/91/39/57/1091913957.db2.gz MYIQBBRZCMWMAD-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCc4ncccc4C3)CC2)cc1 ZINC001207290707 1091914214 /nfs/dbraw/zinc/91/42/14/1091914214.db2.gz FCYDOCYDZUYLJE-UHFFFAOYSA-N 2 1 321.468 3.352 20 0 DGADMP Cc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1O ZINC001140576260 1091915163 /nfs/dbraw/zinc/91/51/63/1091915163.db2.gz NPMOXTZGEBZHJR-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1O ZINC001140576260 1091915184 /nfs/dbraw/zinc/91/51/84/1091915184.db2.gz NPMOXTZGEBZHJR-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1O ZINC001140576260 1091915192 /nfs/dbraw/zinc/91/51/92/1091915192.db2.gz NPMOXTZGEBZHJR-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140706958 1091966848 /nfs/dbraw/zinc/96/68/48/1091966848.db2.gz RCEBHJSDRVKMLC-SFHVURJKSA-N 2 1 313.445 3.484 20 0 DGADMP OCCCCCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207441707 1091968832 /nfs/dbraw/zinc/96/88/32/1091968832.db2.gz LFWHRANBANEURQ-UHFFFAOYSA-N 2 1 304.478 3.041 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001207486765 1091985085 /nfs/dbraw/zinc/98/50/85/1091985085.db2.gz CMUXSAUFHLITCU-AWEZNQCLSA-N 2 1 316.371 3.075 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC001207486791 1091985106 /nfs/dbraw/zinc/98/51/06/1091985106.db2.gz NLWSUGIKOJANGV-IBGZPJMESA-N 2 1 320.452 3.105 20 0 DGADMP Fc1ccccc1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207501951 1091992704 /nfs/dbraw/zinc/99/27/04/1091992704.db2.gz ARBNBUVRVUMAGZ-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Fc1ccccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207501951 1091992711 /nfs/dbraw/zinc/99/27/11/1091992711.db2.gz ARBNBUVRVUMAGZ-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Fc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207501951 1091992720 /nfs/dbraw/zinc/99/27/20/1091992720.db2.gz ARBNBUVRVUMAGZ-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793284 1092001140 /nfs/dbraw/zinc/00/11/40/1092001140.db2.gz GCGYLELQSXEGHL-MRXNPFEDSA-N 2 1 318.804 3.402 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793284 1092001149 /nfs/dbraw/zinc/00/11/49/1092001149.db2.gz GCGYLELQSXEGHL-MRXNPFEDSA-N 2 1 318.804 3.402 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806498 1092008420 /nfs/dbraw/zinc/00/84/20/1092008420.db2.gz KVPXFLLGQUBUGB-MRXNPFEDSA-N 2 1 322.412 3.310 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806498 1092008430 /nfs/dbraw/zinc/00/84/30/1092008430.db2.gz KVPXFLLGQUBUGB-MRXNPFEDSA-N 2 1 322.412 3.310 20 0 DGADMP C[C@H](CCCC(C)(C)O)CCN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001207641163 1092056022 /nfs/dbraw/zinc/05/60/22/1092056022.db2.gz YUVQBKDLECDACA-QGZVFWFLSA-N 2 1 322.537 3.372 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001207641163 1092056032 /nfs/dbraw/zinc/05/60/32/1092056032.db2.gz YUVQBKDLECDACA-QGZVFWFLSA-N 2 1 322.537 3.372 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001207641163 1092056042 /nfs/dbraw/zinc/05/60/42/1092056042.db2.gz YUVQBKDLECDACA-QGZVFWFLSA-N 2 1 322.537 3.372 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cnco1)CC2 ZINC001140928367 1092066271 /nfs/dbraw/zinc/06/62/71/1092066271.db2.gz OVFNTDQGJPBETL-KRWDZBQOSA-N 2 1 315.417 3.144 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC001140967788 1092088137 /nfs/dbraw/zinc/08/81/37/1092088137.db2.gz BZXKVLUFNIWMCR-UHFFFAOYSA-N 2 1 323.431 3.060 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968033 1092088302 /nfs/dbraw/zinc/08/83/02/1092088302.db2.gz FODWOTDCXJEFJL-CALCHBBNSA-N 2 1 301.478 3.201 20 0 DGADMP C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC1CCCC1 ZINC001140971617 1092090137 /nfs/dbraw/zinc/09/01/37/1092090137.db2.gz YNIIPRBNEQIHKN-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP CC(C)[C@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975819 1092090884 /nfs/dbraw/zinc/09/08/84/1092090884.db2.gz WDLDRKBTDRVHSB-GOSISDBHSA-N 2 1 301.478 3.059 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2ncccn2)c1 ZINC001140983006 1092094300 /nfs/dbraw/zinc/09/43/00/1092094300.db2.gz PDNCQRMAWVFJLY-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+][C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207769201 1092094486 /nfs/dbraw/zinc/09/44/86/1092094486.db2.gz ZSZVFBVKAPLJPF-IYWMVGAKSA-N 2 1 314.473 3.056 20 0 DGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCO2)CC3)c1 ZINC001207850225 1092120559 /nfs/dbraw/zinc/12/05/59/1092120559.db2.gz LWBWIAPEFKXPMZ-INIZCTEOSA-N 2 1 320.502 3.215 20 0 DGADMP C1=C2CCC[N@H+](C[C@H]3CCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207887163 1092129726 /nfs/dbraw/zinc/12/97/26/1092129726.db2.gz BSRHFAHASUVPNH-OMQSBVIBSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[NH+](C[C@H]3CCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001207887163 1092129728 /nfs/dbraw/zinc/12/97/28/1092129728.db2.gz BSRHFAHASUVPNH-OMQSBVIBSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[NH+](C[C@H]3CCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001207887163 1092129734 /nfs/dbraw/zinc/12/97/34/1092129734.db2.gz BSRHFAHASUVPNH-OMQSBVIBSA-N 2 1 316.489 3.060 20 0 DGADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cocn1)CC2 ZINC001141127633 1092144977 /nfs/dbraw/zinc/14/49/77/1092144977.db2.gz FDEQRDLHTYTADS-QGZVFWFLSA-N 2 1 315.417 3.144 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cocn1)CC2 ZINC001141127633 1092144981 /nfs/dbraw/zinc/14/49/81/1092144981.db2.gz FDEQRDLHTYTADS-QGZVFWFLSA-N 2 1 315.417 3.144 20 0 DGADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001141221507 1092182817 /nfs/dbraw/zinc/18/28/17/1092182817.db2.gz NMXGRLICAXVWAG-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC001141234737 1092188805 /nfs/dbraw/zinc/18/88/05/1092188805.db2.gz USBGDQCIRUEFBN-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000088698565 1092197412 /nfs/dbraw/zinc/19/74/12/1092197412.db2.gz RBUCXYKTVHBQLS-HKUYNNGSSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000088698565 1092197414 /nfs/dbraw/zinc/19/74/14/1092197414.db2.gz RBUCXYKTVHBQLS-HKUYNNGSSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000088698565 1092197418 /nfs/dbraw/zinc/19/74/18/1092197418.db2.gz RBUCXYKTVHBQLS-HKUYNNGSSA-N 2 1 303.494 3.142 20 0 DGADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC1 ZINC001208168681 1092236289 /nfs/dbraw/zinc/23/62/89/1092236289.db2.gz IUOQKQMAIZNJKZ-HZPDHXFCSA-N 2 1 305.466 3.109 20 0 DGADMP Cc1cccc(N2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)c1 ZINC001208181929 1092245476 /nfs/dbraw/zinc/24/54/76/1092245476.db2.gz AJVLFEIDZLTWMT-UHFFFAOYSA-N 2 1 315.505 3.239 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@H]1C ZINC001208187865 1092247129 /nfs/dbraw/zinc/24/71/29/1092247129.db2.gz BOBBJRWIEHDSHY-SJORKVTESA-N 2 1 324.509 3.020 20 0 DGADMP COc1cccc2c1C[N@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184113 1092247715 /nfs/dbraw/zinc/24/77/15/1092247715.db2.gz JDKRNEWZAIKOKX-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP COc1cccc2c1C[N@@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184113 1092247723 /nfs/dbraw/zinc/24/77/23/1092247723.db2.gz JDKRNEWZAIKOKX-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP COc1ccc(CC[N@@H+](C)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208185305 1092250051 /nfs/dbraw/zinc/25/00/51/1092250051.db2.gz ABFCNNHOXBWMQD-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CCCC1 ZINC001208188319 1092252341 /nfs/dbraw/zinc/25/23/41/1092252341.db2.gz XNPHFTOAXCNGCB-INIZCTEOSA-N 2 1 324.509 3.305 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4nc(C)ccc4c3)C[C@H]2C1 ZINC001141484934 1092255657 /nfs/dbraw/zinc/25/56/57/1092255657.db2.gz GLNCRINPUKVEMX-RTBURBONSA-N 2 1 309.457 3.317 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208193055 1092256086 /nfs/dbraw/zinc/25/60/86/1092256086.db2.gz ZHEIFNPWQPVEKE-UHFFFAOYSA-N 3 1 309.542 3.161 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)CC2(CN(C)C)CCCC2)CC1 ZINC001208193055 1092256098 /nfs/dbraw/zinc/25/60/98/1092256098.db2.gz ZHEIFNPWQPVEKE-UHFFFAOYSA-N 2 1 309.542 3.161 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2(CN(C)C)CCCC2)CC1 ZINC001208193055 1092256107 /nfs/dbraw/zinc/25/61/07/1092256107.db2.gz ZHEIFNPWQPVEKE-UHFFFAOYSA-N 2 1 309.542 3.161 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208215702 1092270497 /nfs/dbraw/zinc/27/04/97/1092270497.db2.gz DEXUVAUDRIHWQH-YQVWRLOYSA-N 2 1 310.526 3.491 20 0 DGADMP CN1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590630 1092284660 /nfs/dbraw/zinc/28/46/60/1092284660.db2.gz HQJHPMGXNGRCEL-YVEFUNNKSA-N 2 1 303.837 3.347 20 0 DGADMP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590630 1092284669 /nfs/dbraw/zinc/28/46/69/1092284669.db2.gz HQJHPMGXNGRCEL-YVEFUNNKSA-N 2 1 303.837 3.347 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208361796 1092329196 /nfs/dbraw/zinc/32/91/96/1092329196.db2.gz ICSOWVAJDGNXTN-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1C ZINC001205992834 1092370661 /nfs/dbraw/zinc/37/06/61/1092370661.db2.gz GCRNMBSDLNSZFU-PBHICJAKSA-N 2 1 304.478 3.427 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001141990604 1092378905 /nfs/dbraw/zinc/37/89/05/1092378905.db2.gz KTVRNBFFHDBCOU-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001141990604 1092378914 /nfs/dbraw/zinc/37/89/14/1092378914.db2.gz KTVRNBFFHDBCOU-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001141990604 1092378922 /nfs/dbraw/zinc/37/89/22/1092378922.db2.gz KTVRNBFFHDBCOU-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001141990604 1092378927 /nfs/dbraw/zinc/37/89/27/1092378927.db2.gz KTVRNBFFHDBCOU-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001208599782 1092419548 /nfs/dbraw/zinc/41/95/48/1092419548.db2.gz MGPSNLIKQIMENM-SFHVURJKSA-N 2 1 306.425 3.011 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001208599724 1092419750 /nfs/dbraw/zinc/41/97/50/1092419750.db2.gz AIDAUAQTTQYOEI-MRXNPFEDSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001208604746 1092421569 /nfs/dbraw/zinc/42/15/69/1092421569.db2.gz SQJDAWGKJUOOCE-GOSISDBHSA-N 2 1 306.425 3.011 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001208604747 1092422078 /nfs/dbraw/zinc/42/20/78/1092422078.db2.gz SQJDAWGKJUOOCE-SFHVURJKSA-N 2 1 306.425 3.011 20 0 DGADMP COc1ccc(C2=CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC2)cc1 ZINC001208619157 1092432114 /nfs/dbraw/zinc/43/21/14/1092432114.db2.gz WCEPVQRIZWKUSI-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP COc1ccc(C2=CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208619157 1092432119 /nfs/dbraw/zinc/43/21/19/1092432119.db2.gz WCEPVQRIZWKUSI-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP COc1ccc(C2=CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208619157 1092432131 /nfs/dbraw/zinc/43/21/31/1092432131.db2.gz WCEPVQRIZWKUSI-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP C[C@@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)OCc1ccccc1 ZINC001208701759 1092465307 /nfs/dbraw/zinc/46/53/07/1092465307.db2.gz BYRBRULFEFWPEA-KRWDZBQOSA-N 2 1 302.462 3.009 20 0 DGADMP CC/C=C\CC[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001208725592 1092473574 /nfs/dbraw/zinc/47/35/74/1092473574.db2.gz MNTUQNQVYKYJNU-WAYWQWQTSA-N 2 1 322.493 3.082 20 0 DGADMP COc1cccc(F)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276585329 1092488103 /nfs/dbraw/zinc/48/81/03/1092488103.db2.gz DALADBVWJDYXAX-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208787664 1092506497 /nfs/dbraw/zinc/50/64/97/1092506497.db2.gz KTSAODKQTNNWJA-ZWKOTPCHSA-N 2 1 324.509 3.306 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208810848 1092519398 /nfs/dbraw/zinc/51/93/98/1092519398.db2.gz DLDKYAVGMVAQPS-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208810848 1092519413 /nfs/dbraw/zinc/51/94/13/1092519413.db2.gz DLDKYAVGMVAQPS-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208810848 1092519422 /nfs/dbraw/zinc/51/94/22/1092519422.db2.gz DLDKYAVGMVAQPS-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001169092840 1092524146 /nfs/dbraw/zinc/52/41/46/1092524146.db2.gz CYMVIOFWGFPADW-BTTYYORXSA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001169092840 1092524153 /nfs/dbraw/zinc/52/41/53/1092524153.db2.gz CYMVIOFWGFPADW-BTTYYORXSA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccc(Br)c1)C2 ZINC001169096913 1092527362 /nfs/dbraw/zinc/52/73/62/1092527362.db2.gz ZSCNINJUHFBXEW-PHZGNYQRSA-N 2 1 323.278 3.206 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ccccn3)cc1)C2 ZINC001169100723 1092534039 /nfs/dbraw/zinc/53/40/39/1092534039.db2.gz LZFTXGJFENKSHG-LDLYASANSA-N 2 1 307.441 3.463 20 0 DGADMP Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081704 1092535117 /nfs/dbraw/zinc/53/51/17/1092535117.db2.gz UYRFNZRPWWYQHN-ZJPYXAASSA-N 2 1 302.462 3.286 20 0 DGADMP Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081639 1092535518 /nfs/dbraw/zinc/53/55/18/1092535518.db2.gz UYRFNZRPWWYQHN-TVFCKZIOSA-N 2 1 302.462 3.286 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001169091793 1092539945 /nfs/dbraw/zinc/53/99/45/1092539945.db2.gz VAZLGILAIXNLJV-YSTOQKLRSA-N 2 1 313.489 3.038 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(CC3CCC3)CCOCC1)C2 ZINC001169118601 1092542389 /nfs/dbraw/zinc/54/23/89/1092542389.db2.gz LQKIVPDAEZYFKD-BCDXTJNWSA-N 2 1 306.494 3.188 20 0 DGADMP COc1ccc(CC(C)(C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169118774 1092542484 /nfs/dbraw/zinc/54/24/84/1092542484.db2.gz NICSMAUCOLBPSH-NNZMDNLPSA-N 2 1 316.489 3.479 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169119818 1092543622 /nfs/dbraw/zinc/54/36/22/1092543622.db2.gz WQCVVMFKGRPMBB-NNZMDNLPSA-N 2 1 314.473 3.233 20 0 DGADMP CSc1ccccc1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107864 1092552726 /nfs/dbraw/zinc/55/27/26/1092552726.db2.gz LNHLJULHXPGDSU-QKDCVEJESA-N 2 1 306.475 3.002 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140209 1092555999 /nfs/dbraw/zinc/55/59/99/1092555999.db2.gz JAESLTXEYCWDEI-DFGXFYAUSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140209 1092556011 /nfs/dbraw/zinc/55/60/11/1092556011.db2.gz JAESLTXEYCWDEI-DFGXFYAUSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140209 1092556021 /nfs/dbraw/zinc/55/60/21/1092556021.db2.gz JAESLTXEYCWDEI-DFGXFYAUSA-N 2 1 300.446 3.457 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001169115546 1092557433 /nfs/dbraw/zinc/55/74/33/1092557433.db2.gz KQZALNYRJMICPL-PHZGNYQRSA-N 2 1 318.436 3.046 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001169115546 1092557440 /nfs/dbraw/zinc/55/74/40/1092557440.db2.gz KQZALNYRJMICPL-PHZGNYQRSA-N 2 1 318.436 3.046 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142852686 1092567064 /nfs/dbraw/zinc/56/70/64/1092567064.db2.gz IXMPGAHVMLTJLU-OALUTQOASA-N 2 1 307.441 3.132 20 0 DGADMP COc1cccc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169153881 1092568042 /nfs/dbraw/zinc/56/80/42/1092568042.db2.gz LONMBTXFKPGFMZ-BWTSREIZSA-N 2 1 314.473 3.500 20 0 DGADMP C[C@H](C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1)C(F)(F)F ZINC001208888264 1092569045 /nfs/dbraw/zinc/56/90/45/1092569045.db2.gz OXNKQKBEQAWZFY-JHJVBQTASA-N 2 1 318.408 3.310 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(COc4ccccc43)CC1)C2 ZINC001169155312 1092569415 /nfs/dbraw/zinc/56/94/15/1092569415.db2.gz MWOUYQPUUWCADZ-BJWYYQGGSA-N 2 1 312.457 3.038 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(Cc4ccccc4O3)CC1)C2 ZINC001169155379 1092570810 /nfs/dbraw/zinc/57/08/10/1092570810.db2.gz OBROGOATIOLHCY-PIIMJCKOSA-N 2 1 312.457 3.081 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169155471 1092570940 /nfs/dbraw/zinc/57/09/40/1092570940.db2.gz PHFDKUWHQKXHDK-FJIDUMEYSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169155471 1092570950 /nfs/dbraw/zinc/57/09/50/1092570950.db2.gz PHFDKUWHQKXHDK-FJIDUMEYSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169155471 1092570959 /nfs/dbraw/zinc/57/09/59/1092570959.db2.gz PHFDKUWHQKXHDK-FJIDUMEYSA-N 2 1 300.446 3.110 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cc(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001206003134 1092571940 /nfs/dbraw/zinc/57/19/40/1092571940.db2.gz FIFFTUWZGTWQFY-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1Cc1ccc(F)cc1)C2 ZINC001169160714 1092572319 /nfs/dbraw/zinc/57/23/19/1092572319.db2.gz LDSAGFKXRJDLTG-HCXYKTFWSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)C2 ZINC001169160714 1092572327 /nfs/dbraw/zinc/57/23/27/1092572327.db2.gz LDSAGFKXRJDLTG-HCXYKTFWSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)C2 ZINC001169160714 1092572334 /nfs/dbraw/zinc/57/23/34/1092572334.db2.gz LDSAGFKXRJDLTG-HCXYKTFWSA-N 2 1 302.437 3.458 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cc(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003136 1092572666 /nfs/dbraw/zinc/57/26/66/1092572666.db2.gz FIFFTUWZGTWQFY-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276597560 1092576187 /nfs/dbraw/zinc/57/61/87/1092576187.db2.gz MGUKPUVRVRYDMB-GASCZTMLSA-N 2 1 315.436 3.389 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276597560 1092576197 /nfs/dbraw/zinc/57/61/97/1092576197.db2.gz MGUKPUVRVRYDMB-GASCZTMLSA-N 2 1 315.436 3.389 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276597560 1092576208 /nfs/dbraw/zinc/57/62/08/1092576208.db2.gz MGUKPUVRVRYDMB-GASCZTMLSA-N 2 1 315.436 3.389 20 0 DGADMP C[C@@H]1C[N@H+](Cc2sc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003933 1092588449 /nfs/dbraw/zinc/58/84/49/1092588449.db2.gz NRYAZUWIILMXPU-RKDXNWHRSA-N 2 1 308.278 3.257 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2sc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003933 1092588460 /nfs/dbraw/zinc/58/84/60/1092588460.db2.gz NRYAZUWIILMXPU-RKDXNWHRSA-N 2 1 308.278 3.257 20 0 DGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccn2c[nH+]cc12 ZINC001169179614 1092588776 /nfs/dbraw/zinc/58/87/76/1092588776.db2.gz MTXFDZGJRWCJMX-UHFFFAOYSA-N 2 1 320.396 3.096 20 0 DGADMP CCC[N@H+](CCOC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927716 1092589785 /nfs/dbraw/zinc/58/97/85/1092589785.db2.gz DHUFTSGEVCXVEP-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCC[N@@H+](CCOC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927716 1092589795 /nfs/dbraw/zinc/58/97/95/1092589795.db2.gz DHUFTSGEVCXVEP-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](CCOC)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927716 1092589808 /nfs/dbraw/zinc/58/98/08/1092589808.db2.gz DHUFTSGEVCXVEP-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](CCOC)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927716 1092589822 /nfs/dbraw/zinc/58/98/22/1092589822.db2.gz DHUFTSGEVCXVEP-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932028 1092596330 /nfs/dbraw/zinc/59/63/30/1092596330.db2.gz NDWNMNOXTYNVPT-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932028 1092596338 /nfs/dbraw/zinc/59/63/38/1092596338.db2.gz NDWNMNOXTYNVPT-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932028 1092596347 /nfs/dbraw/zinc/59/63/47/1092596347.db2.gz NDWNMNOXTYNVPT-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932028 1092596353 /nfs/dbraw/zinc/59/63/53/1092596353.db2.gz NDWNMNOXTYNVPT-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(O)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208932380 1092597740 /nfs/dbraw/zinc/59/77/40/1092597740.db2.gz PLPHEFXHROETRK-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208932380 1092597750 /nfs/dbraw/zinc/59/77/50/1092597750.db2.gz PLPHEFXHROETRK-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932380 1092597758 /nfs/dbraw/zinc/59/77/58/1092597758.db2.gz PLPHEFXHROETRK-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP FC1(F)C[C@H]2C[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208940566 1092602463 /nfs/dbraw/zinc/60/24/63/1092602463.db2.gz DRFPSHJTNYADHA-OKZBNKHCSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208940566 1092602467 /nfs/dbraw/zinc/60/24/67/1092602467.db2.gz DRFPSHJTNYADHA-OKZBNKHCSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208940566 1092602473 /nfs/dbraw/zinc/60/24/73/1092602473.db2.gz DRFPSHJTNYADHA-OKZBNKHCSA-N 2 1 320.427 3.486 20 0 DGADMP FC[C@H]1[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208940097 1092602715 /nfs/dbraw/zinc/60/27/15/1092602715.db2.gz PAKXCPXIZLQQPU-MKXGPGLRSA-N 2 1 302.437 3.046 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208940097 1092602721 /nfs/dbraw/zinc/60/27/21/1092602721.db2.gz PAKXCPXIZLQQPU-MKXGPGLRSA-N 2 1 302.437 3.046 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208940097 1092602726 /nfs/dbraw/zinc/60/27/26/1092602726.db2.gz PAKXCPXIZLQQPU-MKXGPGLRSA-N 2 1 302.437 3.046 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001169261889 1092604972 /nfs/dbraw/zinc/60/49/72/1092604972.db2.gz QFQPFEYVESVTQB-KRWDZBQOSA-N 2 1 308.466 3.476 20 0 DGADMP CC[NH+]1CCC([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001169261889 1092604977 /nfs/dbraw/zinc/60/49/77/1092604977.db2.gz QFQPFEYVESVTQB-KRWDZBQOSA-N 2 1 308.466 3.476 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H](c4cccnc4)C3)C2)cc1 ZINC001208947231 1092606001 /nfs/dbraw/zinc/60/60/01/1092606001.db2.gz AAIFLJVEFCQWJS-PZJWPPBQSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H](c4cccnc4)C3)C2)cc1 ZINC001208947231 1092606006 /nfs/dbraw/zinc/60/60/06/1092606006.db2.gz AAIFLJVEFCQWJS-PZJWPPBQSA-N 2 1 321.468 3.393 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC)CC1 ZINC001169265076 1092607503 /nfs/dbraw/zinc/60/75/03/1092607503.db2.gz MHDHQJFIIHMRLA-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP c1cn(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC001208954578 1092608084 /nfs/dbraw/zinc/60/80/84/1092608084.db2.gz WNIFBUGTFHXOTG-IBGZPJMESA-N 2 1 324.472 3.042 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949614 1092609138 /nfs/dbraw/zinc/60/91/38/1092609138.db2.gz MIHBZHHWDNSLGG-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949614 1092609144 /nfs/dbraw/zinc/60/91/44/1092609144.db2.gz MIHBZHHWDNSLGG-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949614 1092609146 /nfs/dbraw/zinc/60/91/46/1092609146.db2.gz MIHBZHHWDNSLGG-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949618 1092609179 /nfs/dbraw/zinc/60/91/79/1092609179.db2.gz MIHBZHHWDNSLGG-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949618 1092609184 /nfs/dbraw/zinc/60/91/84/1092609184.db2.gz MIHBZHHWDNSLGG-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949618 1092609191 /nfs/dbraw/zinc/60/91/91/1092609191.db2.gz MIHBZHHWDNSLGG-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC001169256223 1092618945 /nfs/dbraw/zinc/61/89/45/1092618945.db2.gz YWQJFSSXQYXOID-QGZVFWFLSA-N 2 1 318.461 3.325 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC001169256223 1092618948 /nfs/dbraw/zinc/61/89/48/1092618948.db2.gz YWQJFSSXQYXOID-QGZVFWFLSA-N 2 1 318.461 3.325 20 0 DGADMP CCOC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209076512 1092642787 /nfs/dbraw/zinc/64/27/87/1092642787.db2.gz MZPJXPBSXVNJLM-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209076512 1092642793 /nfs/dbraw/zinc/64/27/93/1092642793.db2.gz MZPJXPBSXVNJLM-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209076512 1092642797 /nfs/dbraw/zinc/64/27/97/1092642797.db2.gz MZPJXPBSXVNJLM-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP Clc1cccc(Cl)c1CC[N@@H+]1CCc2nccn2CC1 ZINC001209108497 1092654442 /nfs/dbraw/zinc/65/44/42/1092654442.db2.gz KBPBOLUHTYOSMK-UHFFFAOYSA-N 2 1 310.228 3.291 20 0 DGADMP Clc1cccc(Cl)c1CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209108497 1092654449 /nfs/dbraw/zinc/65/44/49/1092654449.db2.gz KBPBOLUHTYOSMK-UHFFFAOYSA-N 2 1 310.228 3.291 20 0 DGADMP Clc1cccc(Cl)c1CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209108497 1092654453 /nfs/dbraw/zinc/65/44/53/1092654453.db2.gz KBPBOLUHTYOSMK-UHFFFAOYSA-N 2 1 310.228 3.291 20 0 DGADMP Cc1cncc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC001276624422 1092696620 /nfs/dbraw/zinc/69/66/20/1092696620.db2.gz XMULERDRHBJVNS-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP COCCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209219464 1092698643 /nfs/dbraw/zinc/69/86/43/1092698643.db2.gz LYLVPBRNWPPOET-UHFFFAOYSA-N 2 1 308.441 3.149 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001206632096 1092723737 /nfs/dbraw/zinc/72/37/37/1092723737.db2.gz FTVAJPOVBREGIB-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001206632096 1092723746 /nfs/dbraw/zinc/72/37/46/1092723746.db2.gz FTVAJPOVBREGIB-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC001209298872 1092729554 /nfs/dbraw/zinc/72/95/54/1092729554.db2.gz LYMIAMMZZXYGHB-PMACEKPBSA-N 2 1 322.452 3.129 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412958 1092764762 /nfs/dbraw/zinc/76/47/62/1092764762.db2.gz JBUSAOIXVSDKJD-JEIKXUOUSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412958 1092764769 /nfs/dbraw/zinc/76/47/69/1092764769.db2.gz JBUSAOIXVSDKJD-JEIKXUOUSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412958 1092764775 /nfs/dbraw/zinc/76/47/75/1092764775.db2.gz JBUSAOIXVSDKJD-JEIKXUOUSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412958 1092764788 /nfs/dbraw/zinc/76/47/88/1092764788.db2.gz JBUSAOIXVSDKJD-JEIKXUOUSA-N 2 1 313.489 3.270 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001206633038 1092766162 /nfs/dbraw/zinc/76/61/62/1092766162.db2.gz RUSGEQVYRGRZHB-INIZCTEOSA-N 2 1 317.477 3.354 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)C1 ZINC001206633393 1092767905 /nfs/dbraw/zinc/76/79/05/1092767905.db2.gz XKVYVACBZOLQEF-CQSZACIVSA-N 2 1 303.837 3.449 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209418578 1092767986 /nfs/dbraw/zinc/76/79/86/1092767986.db2.gz ZVMBDUABSHBHCZ-AEFFLSMTSA-N 2 1 313.489 3.414 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209418579 1092768172 /nfs/dbraw/zinc/76/81/72/1092768172.db2.gz ZVMBDUABSHBHCZ-FUHWJXTLSA-N 2 1 313.489 3.414 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)C1 ZINC001206633392 1092768254 /nfs/dbraw/zinc/76/82/54/1092768254.db2.gz XKVYVACBZOLQEF-AWEZNQCLSA-N 2 1 303.837 3.449 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2c1 ZINC001206639100 1092869551 /nfs/dbraw/zinc/86/95/51/1092869551.db2.gz BJGONLLMQYNIRK-CYBMUJFWSA-N 2 1 304.459 3.471 20 0 DGADMP COc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c[nH]c2c1 ZINC001276676637 1093008413 /nfs/dbraw/zinc/00/84/13/1093008413.db2.gz KMESDDNIHVFTOQ-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c[nH]c2c1 ZINC001276676637 1093008419 /nfs/dbraw/zinc/00/84/19/1093008419.db2.gz KMESDDNIHVFTOQ-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2c(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)c[nH]c2c1 ZINC001276676637 1093008422 /nfs/dbraw/zinc/00/84/22/1093008422.db2.gz KMESDDNIHVFTOQ-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP Fc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)cc1Cl ZINC001210271612 1093104311 /nfs/dbraw/zinc/10/43/11/1093104311.db2.gz WPKQTXPXMPUDDR-UHFFFAOYSA-N 2 1 324.762 3.166 20 0 DGADMP COc1cccc(CC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276709143 1093728834 /nfs/dbraw/zinc/72/88/34/1093728834.db2.gz FHOFTKVWWXSODY-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CC[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276709143 1093728839 /nfs/dbraw/zinc/72/88/39/1093728839.db2.gz FHOFTKVWWXSODY-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CC[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276709143 1093728844 /nfs/dbraw/zinc/72/88/44/1093728844.db2.gz FHOFTKVWWXSODY-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CCOc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ccc1F ZINC001276740065 1094193737 /nfs/dbraw/zinc/19/37/37/1094193737.db2.gz IKUREXNZBHLCOV-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP COc1ccc(CCC[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001276740014 1094193872 /nfs/dbraw/zinc/19/38/72/1094193872.db2.gz GYXINYLZFRYCRR-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001276741051 1094202979 /nfs/dbraw/zinc/20/29/79/1094202979.db2.gz PPVGOAYMOACWSN-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276741051 1094202987 /nfs/dbraw/zinc/20/29/87/1094202987.db2.gz PPVGOAYMOACWSN-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001276741051 1094202994 /nfs/dbraw/zinc/20/29/94/1094202994.db2.gz PPVGOAYMOACWSN-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1C ZINC001119988163 1094336134 /nfs/dbraw/zinc/33/61/34/1094336134.db2.gz GDONRVAQCRKWST-KSZLIROESA-N 2 1 302.462 3.166 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3NCCC4)C[C@H]2C1 ZINC001119988057 1094336704 /nfs/dbraw/zinc/33/67/04/1094336704.db2.gz FCQVVRWLSJVINI-BHIYHBOVSA-N 2 1 313.489 3.207 20 0 DGADMP CCn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c(C)n1 ZINC001120039321 1094359587 /nfs/dbraw/zinc/35/95/87/1094359587.db2.gz DWUCYIQEGVKBLS-UHFFFAOYSA-N 2 1 306.498 3.346 20 0 DGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001120041170 1094361667 /nfs/dbraw/zinc/36/16/67/1094361667.db2.gz CMMFCYLDNMOKMZ-UHFFFAOYSA-N 2 1 323.525 3.093 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001120255211 1094396063 /nfs/dbraw/zinc/39/60/63/1094396063.db2.gz AZAOPYWXXQTTIJ-CEXWTWQISA-N 2 1 324.472 3.170 20 0 DGADMP CC1([NH2+][C@H]2CCCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001170801030 1094434736 /nfs/dbraw/zinc/43/47/36/1094434736.db2.gz MOGUGOYSYBQQQU-SFHVURJKSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC001170803353 1094447868 /nfs/dbraw/zinc/44/78/68/1094447868.db2.gz HEDUNTUZHWXKIV-HOJAQTOUSA-N 2 1 316.489 3.303 20 0 DGADMP CCCC[C@@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217701257 1094475575 /nfs/dbraw/zinc/47/55/75/1094475575.db2.gz OSXKMWQMEGOMQT-JKSUJKDBSA-N 2 1 314.433 3.249 20 0 DGADMP CCCC[C@@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217701257 1094475581 /nfs/dbraw/zinc/47/55/81/1094475581.db2.gz OSXKMWQMEGOMQT-JKSUJKDBSA-N 2 1 314.433 3.249 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217723059 1094484544 /nfs/dbraw/zinc/48/45/44/1094484544.db2.gz MKNVGFLALIQQGF-CWRNSKLLSA-N 2 1 314.433 3.105 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217723059 1094484549 /nfs/dbraw/zinc/48/45/49/1094484549.db2.gz MKNVGFLALIQQGF-CWRNSKLLSA-N 2 1 314.433 3.105 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217769155 1094493150 /nfs/dbraw/zinc/49/31/50/1094493150.db2.gz MONYVXYQASLPBP-GGPKGHCWSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](OC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001217886802 1094510867 /nfs/dbraw/zinc/51/08/67/1094510867.db2.gz WKKUAFBLGREZRV-YSTOQKLRSA-N 2 1 314.473 3.198 20 0 DGADMP [NH3+]CCCCCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001217911867 1094515585 /nfs/dbraw/zinc/51/55/85/1094515585.db2.gz RWMIBQQAEWFBOZ-KRWDZBQOSA-N 2 1 310.869 3.450 20 0 DGADMP CC[C@@]1(c2cccc(O[C@@H]3C[NH2+]C[C@@H]3F)c2)CCCC[N@@H+](C)C1 ZINC001217998492 1094551212 /nfs/dbraw/zinc/55/12/12/1094551212.db2.gz SGHCJDNLRDUWKL-IPMKNSEASA-N 2 1 320.452 3.139 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001336227869 1094594025 /nfs/dbraw/zinc/59/40/25/1094594025.db2.gz KPQUDRMTOCWDSD-INIZCTEOSA-N 2 1 323.444 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001336227869 1094594038 /nfs/dbraw/zinc/59/40/38/1094594038.db2.gz KPQUDRMTOCWDSD-INIZCTEOSA-N 2 1 323.444 3.338 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135861637 1094721660 /nfs/dbraw/zinc/72/16/60/1094721660.db2.gz UXTRLOALNIYWQG-JKSUJKDBSA-N 2 1 313.530 3.027 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001218336897 1094725575 /nfs/dbraw/zinc/72/55/75/1094725575.db2.gz VVKGLXKIEDYBFF-OXJNMPFZSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001218336896 1094725661 /nfs/dbraw/zinc/72/56/61/1094725661.db2.gz VVKGLXKIEDYBFF-JXFKEZNVSA-N 2 1 310.441 3.435 20 0 DGADMP [NH3+]Cc1cccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC001218341448 1094726631 /nfs/dbraw/zinc/72/66/31/1094726631.db2.gz LGYMEMYCUFYRCE-KXTWHKPSSA-N 2 1 322.452 3.435 20 0 DGADMP [NH3+]Cc1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001218440444 1094775713 /nfs/dbraw/zinc/77/57/13/1094775713.db2.gz DPQPYSNSSQLUBQ-CEWLAPEOSA-N 2 1 322.452 3.435 20 0 DGADMP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995453 1094784441 /nfs/dbraw/zinc/78/44/41/1094784441.db2.gz FWOKBVPASUZDCZ-SJORKVTESA-N 2 1 313.530 3.172 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001170877766 1094792391 /nfs/dbraw/zinc/79/23/91/1094792391.db2.gz GTACJUUPMGLFFU-HZPDHXFCSA-N 2 1 322.497 3.070 20 0 DGADMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001276787971 1094820459 /nfs/dbraw/zinc/82/04/59/1094820459.db2.gz HSVOJUPYXYCTED-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001276787971 1094820468 /nfs/dbraw/zinc/82/04/68/1094820468.db2.gz HSVOJUPYXYCTED-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001276787971 1094820480 /nfs/dbraw/zinc/82/04/80/1094820480.db2.gz HSVOJUPYXYCTED-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP [NH3+]CCOc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001159687017 1094886774 /nfs/dbraw/zinc/88/67/74/1094886774.db2.gz TUUMWELDNURSSX-UHFFFAOYSA-N 2 1 323.440 3.226 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935193 1094962352 /nfs/dbraw/zinc/96/23/52/1094962352.db2.gz QCNVSOPXTAYMFV-MRXNPFEDSA-N 2 1 306.881 3.471 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000314325490 1095044996 /nfs/dbraw/zinc/04/49/96/1095044996.db2.gz ZDXWKSFRESTMMP-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000314325490 1095045009 /nfs/dbraw/zinc/04/50/09/1095045009.db2.gz ZDXWKSFRESTMMP-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246167099 1095069841 /nfs/dbraw/zinc/06/98/41/1095069841.db2.gz CPTFYCMGWIKZDL-JSGCOSHPSA-N 2 1 311.267 3.112 20 0 DGADMP COc1cccc2cc(C[NH2+]C3CCN(C4CC4)CC3)oc21 ZINC000315098353 1095087473 /nfs/dbraw/zinc/08/74/73/1095087473.db2.gz BZUHPFUEPGMBDW-UHFFFAOYSA-N 2 1 300.402 3.158 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC000315968516 1095150432 /nfs/dbraw/zinc/15/04/32/1095150432.db2.gz YFHCESKHBBEKEH-IAGOWNOFSA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC000315968516 1095150439 /nfs/dbraw/zinc/15/04/39/1095150439.db2.gz YFHCESKHBBEKEH-IAGOWNOFSA-N 2 1 300.446 3.117 20 0 DGADMP CC[C@]1([NH2+][C@@H](C)Cc2cccc(Br)c2)CC[NH2+]C1 ZINC001246458487 1095290283 /nfs/dbraw/zinc/29/02/83/1095290283.db2.gz GLWDFDNSSBFTBD-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596848 1095292004 /nfs/dbraw/zinc/29/20/04/1095292004.db2.gz YBNHAIVFRDLLKM-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)CC1 ZINC001137046545 1095307271 /nfs/dbraw/zinc/30/72/71/1095307271.db2.gz GXTTWNCKCVMNKU-UHFFFAOYSA-N 2 1 312.461 3.117 20 0 DGADMP C[N@H+](Cc1ccc(F)c(Cl)c1F)CC1CC[NH+](C)CC1 ZINC001143626450 1095329034 /nfs/dbraw/zinc/32/90/34/1095329034.db2.gz VMXAMRGYSLTUPF-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115759687 1095376288 /nfs/dbraw/zinc/37/62/88/1095376288.db2.gz FQHZYTDOHSYZJB-QGZVFWFLSA-N 2 1 323.525 3.068 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222148023 1095457624 /nfs/dbraw/zinc/45/76/24/1095457624.db2.gz IENUHMLGTRSIKC-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222148023 1095457633 /nfs/dbraw/zinc/45/76/33/1095457633.db2.gz IENUHMLGTRSIKC-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153942 1095461484 /nfs/dbraw/zinc/46/14/84/1095461484.db2.gz DHGOFPQQRNBTON-HXUWFJFHSA-N 3 1 319.537 3.012 20 0 DGADMP COc1cccc(CC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222154277 1095461491 /nfs/dbraw/zinc/46/14/91/1095461491.db2.gz JMHMDODHLUPNLC-FQEVSTJZSA-N 2 1 316.489 3.484 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001222155263 1095463210 /nfs/dbraw/zinc/46/32/10/1095463210.db2.gz YXDCAFXDULRCES-MJGOQNOKSA-N 2 1 308.510 3.437 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1O ZINC001222162058 1095469644 /nfs/dbraw/zinc/46/96/44/1095469644.db2.gz WWZRXFCNTYLGON-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP CC(=O)OC(C)(C)CCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161849 1095469716 /nfs/dbraw/zinc/46/97/16/1095469716.db2.gz RMOALVQMGMDUHS-LJQANCHMSA-N 2 1 324.509 3.354 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cnc1F ZINC001222167332 1095472722 /nfs/dbraw/zinc/47/27/22/1095472722.db2.gz KHZHJHCIZSQOFO-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cnc1F ZINC001222167332 1095472727 /nfs/dbraw/zinc/47/27/27/1095472727.db2.gz KHZHJHCIZSQOFO-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP CCOc1ccnc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167518 1095472791 /nfs/dbraw/zinc/47/27/91/1095472791.db2.gz NDHYQBUOFPJSMJ-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1ccnc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167518 1095472795 /nfs/dbraw/zinc/47/27/95/1095472795.db2.gz NDHYQBUOFPJSMJ-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1N ZINC001222167577 1095473088 /nfs/dbraw/zinc/47/30/88/1095473088.db2.gz OPCYALFNHPLMNF-LJQANCHMSA-N 2 1 317.477 3.023 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c1)OCO2 ZINC001222168113 1095473112 /nfs/dbraw/zinc/47/31/12/1095473112.db2.gz UYWKWGJJANIXJM-LJQANCHMSA-N 2 1 316.445 3.161 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c1)OCO2 ZINC001222168113 1095473125 /nfs/dbraw/zinc/47/31/25/1095473125.db2.gz UYWKWGJJANIXJM-LJQANCHMSA-N 2 1 316.445 3.161 20 0 DGADMP c1nn2ccccc2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167370 1095474041 /nfs/dbraw/zinc/47/40/41/1095474041.db2.gz KXZGKDGQBQOTHC-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP c1c2cccnc2[nH]c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167841 1095474112 /nfs/dbraw/zinc/47/41/12/1095474112.db2.gz SUCJQSRWOMOMOT-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1C ZINC001222172995 1095479055 /nfs/dbraw/zinc/47/90/55/1095479055.db2.gz PJZADNHTOLMFRG-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1C ZINC001222172995 1095479061 /nfs/dbraw/zinc/47/90/61/1095479061.db2.gz PJZADNHTOLMFRG-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181441 1095480466 /nfs/dbraw/zinc/48/04/66/1095480466.db2.gz HSLXSNIKZSWHDV-UHFFFAOYSA-N 2 1 318.505 3.047 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246540388 1095505116 /nfs/dbraw/zinc/50/51/16/1095505116.db2.gz GQCYFVOKKAQUEF-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246540388 1095505112 /nfs/dbraw/zinc/50/51/12/1095505112.db2.gz GQCYFVOKKAQUEF-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246540381 1095505182 /nfs/dbraw/zinc/50/51/82/1095505182.db2.gz GQCYFVOKKAQUEF-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246540381 1095505191 /nfs/dbraw/zinc/50/51/91/1095505191.db2.gz GQCYFVOKKAQUEF-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC001116288962 1095506385 /nfs/dbraw/zinc/50/63/85/1095506385.db2.gz KFEPDILOKLLJES-YJBOKZPZSA-N 2 1 313.445 3.204 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC001116292689 1095508603 /nfs/dbraw/zinc/50/86/03/1095508603.db2.gz BAQUPCJORBHIMC-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144112692 1095515188 /nfs/dbraw/zinc/51/51/88/1095515188.db2.gz LJYXTFLWPIKVJT-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259096 1095515182 /nfs/dbraw/zinc/51/51/82/1095515182.db2.gz KCOZXTAADXYQBE-IBGZPJMESA-N 2 1 302.462 3.093 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264492 1095518705 /nfs/dbraw/zinc/51/87/05/1095518705.db2.gz BOIGOQFPJWQMHT-HXUWFJFHSA-N 2 1 324.472 3.146 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC001222264926 1095519753 /nfs/dbraw/zinc/51/97/53/1095519753.db2.gz LIDWZPUOBOZEFJ-LJQANCHMSA-N 2 1 302.462 3.359 20 0 DGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272618 1095523461 /nfs/dbraw/zinc/52/34/61/1095523461.db2.gz XFOHCMHJCKWODN-HXUWFJFHSA-N 2 1 309.457 3.443 20 0 DGADMP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222308646 1095540973 /nfs/dbraw/zinc/54/09/73/1095540973.db2.gz KVLMTEBZHSKDOG-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222308646 1095540985 /nfs/dbraw/zinc/54/09/85/1095540985.db2.gz KVLMTEBZHSKDOG-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3cc[nH]c3n2)CC1 ZINC001144177672 1095543146 /nfs/dbraw/zinc/54/31/46/1095543146.db2.gz XBWOLUDJYDYBIU-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222314232 1095545155 /nfs/dbraw/zinc/54/51/55/1095545155.db2.gz DDVIYSPRLPIBML-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222314232 1095545163 /nfs/dbraw/zinc/54/51/63/1095545163.db2.gz DDVIYSPRLPIBML-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316385 1095545634 /nfs/dbraw/zinc/54/56/34/1095545634.db2.gz VPCFOYGOQITQFC-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316385 1095545644 /nfs/dbraw/zinc/54/56/44/1095545644.db2.gz VPCFOYGOQITQFC-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222314233 1095546083 /nfs/dbraw/zinc/54/60/83/1095546083.db2.gz DDVIYSPRLPIBML-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222314233 1095546098 /nfs/dbraw/zinc/54/60/98/1095546098.db2.gz DDVIYSPRLPIBML-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316518 1095547717 /nfs/dbraw/zinc/54/77/17/1095547717.db2.gz WZZMYELJRNSQJN-IBGZPJMESA-N 2 1 318.461 3.120 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116430669 1095548549 /nfs/dbraw/zinc/54/85/49/1095548549.db2.gz FUUHNMLGPUBPBI-HZPDHXFCSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116430669 1095548558 /nfs/dbraw/zinc/54/85/58/1095548558.db2.gz FUUHNMLGPUBPBI-HZPDHXFCSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116430669 1095548566 /nfs/dbraw/zinc/54/85/66/1095548566.db2.gz FUUHNMLGPUBPBI-HZPDHXFCSA-N 2 1 312.461 3.227 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1F ZINC001222321451 1095549436 /nfs/dbraw/zinc/54/94/36/1095549436.db2.gz WNZMWHMFRJVZCB-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1F ZINC001222321452 1095549668 /nfs/dbraw/zinc/54/96/68/1095549668.db2.gz WNZMWHMFRJVZCB-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321326 1095550478 /nfs/dbraw/zinc/55/04/78/1095550478.db2.gz SSXPZIZCAPBYSU-SFHVURJKSA-N 2 1 306.425 3.251 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321326 1095550483 /nfs/dbraw/zinc/55/04/83/1095550483.db2.gz SSXPZIZCAPBYSU-SFHVURJKSA-N 2 1 306.425 3.251 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(OC)cc1C ZINC001222320783 1095550574 /nfs/dbraw/zinc/55/05/74/1095550574.db2.gz NIEZTECLNFDSTA-LJQANCHMSA-N 2 1 318.461 3.120 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320292 1095551289 /nfs/dbraw/zinc/55/12/89/1095551289.db2.gz GDXCLUAEJXUTDV-IBGZPJMESA-N 2 1 317.477 3.285 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320199 1095551315 /nfs/dbraw/zinc/55/13/15/1095551315.db2.gz CUVVAWNXRYUOMK-LJQANCHMSA-N 2 1 318.461 3.202 20 0 DGADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC001246547331 1095553411 /nfs/dbraw/zinc/55/34/11/1095553411.db2.gz PESSAPCPMVADLI-UONOGXRCSA-N 2 1 323.278 3.120 20 0 DGADMP C[N@H+](Cc1ccccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204059372 1095556796 /nfs/dbraw/zinc/55/67/96/1095556796.db2.gz AOMDVPLZAKVZFB-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116471916 1095568716 /nfs/dbraw/zinc/56/87/16/1095568716.db2.gz LMOSNAIPFJTFPQ-YOEHRIQHSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116471916 1095568725 /nfs/dbraw/zinc/56/87/25/1095568725.db2.gz LMOSNAIPFJTFPQ-YOEHRIQHSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001116471916 1095568731 /nfs/dbraw/zinc/56/87/31/1095568731.db2.gz LMOSNAIPFJTFPQ-YOEHRIQHSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001116471916 1095568741 /nfs/dbraw/zinc/56/87/41/1095568741.db2.gz LMOSNAIPFJTFPQ-YOEHRIQHSA-N 2 1 321.896 3.322 20 0 DGADMP C[NH+]1CCC(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001222508929 1095644760 /nfs/dbraw/zinc/64/47/60/1095644760.db2.gz GCVMYMIJTAPRIA-MRXNPFEDSA-N 2 1 308.853 3.025 20 0 DGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276830771 1095648204 /nfs/dbraw/zinc/64/82/04/1095648204.db2.gz SYQJXIDOHVHXPM-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276830771 1095648210 /nfs/dbraw/zinc/64/82/10/1095648210.db2.gz SYQJXIDOHVHXPM-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276830771 1095648219 /nfs/dbraw/zinc/64/82/19/1095648219.db2.gz SYQJXIDOHVHXPM-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001116789527 1095660814 /nfs/dbraw/zinc/66/08/14/1095660814.db2.gz CMYNVNCBNMQVTI-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001116789527 1095660821 /nfs/dbraw/zinc/66/08/21/1095660821.db2.gz CMYNVNCBNMQVTI-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C ZINC001222596652 1095683432 /nfs/dbraw/zinc/68/34/32/1095683432.db2.gz ZMJLDYGUDIYOPV-HXUWFJFHSA-N 2 1 306.453 3.492 20 0 DGADMP c1cc2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)[nH]1 ZINC001222602017 1095686599 /nfs/dbraw/zinc/68/65/99/1095686599.db2.gz GBNCPMQFOWRKLH-IBGZPJMESA-N 2 1 317.436 3.357 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1[nH+]cn2ccccc12 ZINC001144625378 1095738121 /nfs/dbraw/zinc/73/81/21/1095738121.db2.gz KWEXIWIDHRFGDY-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1[nH+]cn2ccccc12 ZINC001144625378 1095738149 /nfs/dbraw/zinc/73/81/49/1095738149.db2.gz KWEXIWIDHRFGDY-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C2CC2)c1 ZINC001117789566 1095857186 /nfs/dbraw/zinc/85/71/86/1095857186.db2.gz MKQVRGSEKLPOFV-SFHVURJKSA-N 2 1 309.457 3.435 20 0 DGADMP CC(C)(C)c1ccc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c1 ZINC001160748274 1095909541 /nfs/dbraw/zinc/90/95/41/1095909541.db2.gz SOYVXTIIYFHAHY-NEPJUHHUSA-N 2 1 301.356 3.331 20 0 DGADMP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253743 1095935164 /nfs/dbraw/zinc/93/51/64/1095935164.db2.gz IWTGEHDSXGSHNV-FUTAKVPZSA-N 2 1 323.525 3.092 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001118103322 1095936750 /nfs/dbraw/zinc/93/67/50/1095936750.db2.gz SDEVOGQVPBPLTE-CHWSQXEVSA-N 2 1 316.276 3.259 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001246818861 1095997014 /nfs/dbraw/zinc/99/70/14/1095997014.db2.gz BYXOLIXWJAEWLB-GXTWGEPZSA-N 2 1 311.267 3.236 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001146594561 1096067574 /nfs/dbraw/zinc/06/75/74/1096067574.db2.gz UONITSJZGJHLQA-HZPDHXFCSA-N 2 1 313.530 3.026 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001171289313 1096123520 /nfs/dbraw/zinc/12/35/20/1096123520.db2.gz RFMRSDUZSVXJJB-UONOGXRCSA-N 2 1 322.880 3.280 20 0 DGADMP C[NH+](C)CC[C@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224130869 1096140716 /nfs/dbraw/zinc/14/07/16/1096140716.db2.gz LIXYEKVKKJHBDW-MANSERQUSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]([NH2+]CCSc1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119731276 1096251896 /nfs/dbraw/zinc/25/18/96/1096251896.db2.gz CRVXAIASSXODKD-HZPDHXFCSA-N 2 1 319.518 3.416 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224750729 1096278020 /nfs/dbraw/zinc/27/80/20/1096278020.db2.gz SHSGNCUGJXNOSP-KRWDZBQOSA-N 2 1 322.880 3.417 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCC[NH+]1C ZINC001224820948 1096292233 /nfs/dbraw/zinc/29/22/33/1096292233.db2.gz XXXLOHWTLXBCGQ-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224820948 1096292240 /nfs/dbraw/zinc/29/22/40/1096292240.db2.gz XXXLOHWTLXBCGQ-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224820948 1096292248 /nfs/dbraw/zinc/29/22/48/1096292248.db2.gz XXXLOHWTLXBCGQ-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001224827360 1096295230 /nfs/dbraw/zinc/29/52/30/1096295230.db2.gz UWAQWRPNPPCTNM-QUCCMNQESA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCCC[NH+](C)C ZINC001224990911 1096330551 /nfs/dbraw/zinc/33/05/51/1096330551.db2.gz ITVRQPYKULRILE-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001225329443 1096397923 /nfs/dbraw/zinc/39/79/23/1096397923.db2.gz BJYXQCHTCRHPNN-HXUWFJFHSA-N 2 1 310.441 3.402 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171340530 1096465461 /nfs/dbraw/zinc/46/54/61/1096465461.db2.gz KDBIZOOMIOHHHI-JONQDZQNSA-N 2 1 306.400 3.037 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171486092 1096895248 /nfs/dbraw/zinc/89/52/48/1096895248.db2.gz ATRDHYVHXCKICI-INIZCTEOSA-N 2 1 308.416 3.240 20 0 DGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539297 1096910543 /nfs/dbraw/zinc/91/05/43/1096910543.db2.gz RTSLXRDCYUBKKE-SLXDBMQSSA-N 2 1 323.525 3.092 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171505027 1096913336 /nfs/dbraw/zinc/91/33/36/1096913336.db2.gz FDNPFZSNICFRBS-ZDUSSCGKSA-N 2 1 312.379 3.035 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171508406 1096914549 /nfs/dbraw/zinc/91/45/49/1096914549.db2.gz OKBKZTYQWGHLBV-GFCCVEGCSA-N 2 1 300.368 3.020 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171548201 1096920355 /nfs/dbraw/zinc/92/03/55/1096920355.db2.gz WHIFAILJQPSTLN-ZDUSSCGKSA-N 2 1 314.395 3.235 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554854 1096922081 /nfs/dbraw/zinc/92/20/81/1096922081.db2.gz PYTOGWCBLYGFEA-MJGOQNOKSA-N 2 1 317.477 3.189 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001171595873 1096931869 /nfs/dbraw/zinc/93/18/69/1096931869.db2.gz IGQJGDMNAQKMRK-INIZCTEOSA-N 2 1 313.530 3.027 20 0 DGADMP Cc1cc(C)c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(=O)[nH]1 ZINC001171614078 1096934533 /nfs/dbraw/zinc/93/45/33/1096934533.db2.gz VBRYDVNTDXKJDW-UHFFFAOYSA-N 2 1 305.466 3.145 20 0 DGADMP Cc1ccn2c(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cnc2c1 ZINC001171614017 1096934560 /nfs/dbraw/zinc/93/45/60/1096934560.db2.gz TWWYXWHLBZKHRO-UHFFFAOYSA-N 2 1 314.477 3.384 20 0 DGADMP C[C@H]1C[C@H](n2ncc3c2cccc3C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171728513 1096957145 /nfs/dbraw/zinc/95/71/45/1096957145.db2.gz OZXYYZAIAZZLNK-YJBOKZPZSA-N 2 1 320.440 3.331 20 0 DGADMP C[NH2+]Cc1cccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171759387 1096964155 /nfs/dbraw/zinc/96/41/55/1096964155.db2.gz JFRBBKZNVKSGON-OXJNMPFZSA-N 2 1 309.457 3.481 20 0 DGADMP CC[NH+]1CCC(N(C)[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761870 1096965850 /nfs/dbraw/zinc/96/58/50/1096965850.db2.gz GKIGPRLSCZROHU-FXAWDEMLSA-N 2 1 315.505 3.066 20 0 DGADMP CC[N@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766467 1096966517 /nfs/dbraw/zinc/96/65/17/1096966517.db2.gz DTYQSDLVOXUHCW-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766467 1096966520 /nfs/dbraw/zinc/96/65/20/1096966520.db2.gz DTYQSDLVOXUHCW-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766467 1096966524 /nfs/dbraw/zinc/96/65/24/1096966524.db2.gz DTYQSDLVOXUHCW-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP CC[N@@H+](C)C1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC001171766571 1096967241 /nfs/dbraw/zinc/96/72/41/1096967241.db2.gz GHHSWNPITOAANH-YLJYHZDGSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171766571 1096967244 /nfs/dbraw/zinc/96/72/44/1096967244.db2.gz GHHSWNPITOAANH-YLJYHZDGSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171766571 1096967251 /nfs/dbraw/zinc/96/72/51/1096967251.db2.gz GHHSWNPITOAANH-YLJYHZDGSA-N 2 1 315.505 3.066 20 0 DGADMP CC[N@@H+](C)C1CCN([C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC001171766568 1096967374 /nfs/dbraw/zinc/96/73/74/1096967374.db2.gz GHHSWNPITOAANH-FXAWDEMLSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171766568 1096967380 /nfs/dbraw/zinc/96/73/80/1096967380.db2.gz GHHSWNPITOAANH-FXAWDEMLSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171766568 1096967384 /nfs/dbraw/zinc/96/73/84/1096967384.db2.gz GHHSWNPITOAANH-FXAWDEMLSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](n2cnc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171734460 1096971315 /nfs/dbraw/zinc/97/13/15/1096971315.db2.gz OCAUECXRAUNCJI-MAUKXSAKSA-N 2 1 320.440 3.331 20 0 DGADMP CCCc1cc(C[NH3+])nn1[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735976 1096972183 /nfs/dbraw/zinc/97/21/83/1096972183.db2.gz ZQRZWHYCTBXQSI-BEFAXECRSA-N 2 1 312.461 3.130 20 0 DGADMP CC[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC001171875123 1096986865 /nfs/dbraw/zinc/98/68/65/1096986865.db2.gz CLQKFMNUZOIERA-PMACEKPBSA-N 2 1 318.505 3.175 20 0 DGADMP CC1(C)C[C@H](NCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964675 1097006108 /nfs/dbraw/zinc/00/61/08/1097006108.db2.gz MEBHPYDFJGKCKO-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171965685 1097006837 /nfs/dbraw/zinc/00/68/37/1097006837.db2.gz QHCSSZVZKXUPMB-FHWLQOOXSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)c1ccc(C(C)(C)NC[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC001171925528 1097009395 /nfs/dbraw/zinc/00/93/95/1097009395.db2.gz IIPLKTROFGIEFY-SFHVURJKSA-N 2 1 306.494 3.336 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC001171925528 1097009404 /nfs/dbraw/zinc/00/94/04/1097009404.db2.gz IIPLKTROFGIEFY-SFHVURJKSA-N 2 1 306.494 3.336 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969125 1097018844 /nfs/dbraw/zinc/01/88/44/1097018844.db2.gz TVUDDJLAINALEP-YTQUADARSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171970879 1097020216 /nfs/dbraw/zinc/02/02/16/1097020216.db2.gz FXLLEWJJTIJJNC-CMKODMSKSA-N 2 1 316.489 3.180 20 0 DGADMP CCC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970382 1097020282 /nfs/dbraw/zinc/02/02/82/1097020282.db2.gz CEOIUGKPQGYGRX-MSOLQXFVSA-N 2 1 304.478 3.180 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC001171977421 1097025648 /nfs/dbraw/zinc/02/56/48/1097025648.db2.gz FNIXXBCRFKSWGC-LJQANCHMSA-N 2 1 324.472 3.052 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC001171977419 1097025989 /nfs/dbraw/zinc/02/59/89/1097025989.db2.gz FNIXXBCRFKSWGC-IBGZPJMESA-N 2 1 324.472 3.052 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC001171981375 1097027358 /nfs/dbraw/zinc/02/73/58/1097027358.db2.gz WVPSPHRNVBBODC-RTBURBONSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171980383 1097027992 /nfs/dbraw/zinc/02/79/92/1097027992.db2.gz UXFZQEFFZVTYER-FGTMMUONSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171980383 1097027998 /nfs/dbraw/zinc/02/79/98/1097027998.db2.gz UXFZQEFFZVTYER-FGTMMUONSA-N 2 1 320.452 3.146 20 0 DGADMP COC(C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001171983030 1097028204 /nfs/dbraw/zinc/02/82/04/1097028204.db2.gz MDBCSSBYNWQLSS-QGZVFWFLSA-N 2 1 320.477 3.028 20 0 DGADMP COC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001171983030 1097028208 /nfs/dbraw/zinc/02/82/08/1097028208.db2.gz MDBCSSBYNWQLSS-QGZVFWFLSA-N 2 1 320.477 3.028 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987256 1097028752 /nfs/dbraw/zinc/02/87/52/1097028752.db2.gz SFKLGXYTTBMJOB-VQIMIIECSA-N 2 1 316.489 3.396 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171986131 1097030414 /nfs/dbraw/zinc/03/04/14/1097030414.db2.gz FKFGBCVCPSQNFO-ICSRJNTNSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171986131 1097030421 /nfs/dbraw/zinc/03/04/21/1097030421.db2.gz FKFGBCVCPSQNFO-ICSRJNTNSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986131 1097030428 /nfs/dbraw/zinc/03/04/28/1097030428.db2.gz FKFGBCVCPSQNFO-ICSRJNTNSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986131 1097030433 /nfs/dbraw/zinc/03/04/33/1097030433.db2.gz FKFGBCVCPSQNFO-ICSRJNTNSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@]1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172071126 1097036968 /nfs/dbraw/zinc/03/69/68/1097036968.db2.gz UYIMCNSCLCEDOD-IYWMVGAKSA-N 2 1 314.473 3.341 20 0 DGADMP C[N@@H+](CC1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075021 1097037251 /nfs/dbraw/zinc/03/72/51/1097037251.db2.gz NKAMIPWNPSBABO-ACDBMABISA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075021 1097037257 /nfs/dbraw/zinc/03/72/57/1097037257.db2.gz NKAMIPWNPSBABO-ACDBMABISA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075021 1097037262 /nfs/dbraw/zinc/03/72/62/1097037262.db2.gz NKAMIPWNPSBABO-ACDBMABISA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172087254 1097039834 /nfs/dbraw/zinc/03/98/34/1097039834.db2.gz LEJNRYBUJFZVKW-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172087254 1097039855 /nfs/dbraw/zinc/03/98/55/1097039855.db2.gz LEJNRYBUJFZVKW-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172087254 1097039861 /nfs/dbraw/zinc/03/98/61/1097039861.db2.gz LEJNRYBUJFZVKW-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP Cc1cccc2c1[C@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172098683 1097040540 /nfs/dbraw/zinc/04/05/40/1097040540.db2.gz GPJZWZHOSNLBIV-WCXIOVBPSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3C)CCO2 ZINC001172098683 1097040544 /nfs/dbraw/zinc/04/05/44/1097040544.db2.gz GPJZWZHOSNLBIV-WCXIOVBPSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001172098683 1097040550 /nfs/dbraw/zinc/04/05/50/1097040550.db2.gz GPJZWZHOSNLBIV-WCXIOVBPSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172098683 1097040555 /nfs/dbraw/zinc/04/05/55/1097040555.db2.gz GPJZWZHOSNLBIV-WCXIOVBPSA-N 2 1 300.446 3.424 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001172100779 1097042160 /nfs/dbraw/zinc/04/21/60/1097042160.db2.gz SZZVZDVMOFNZGK-BTTYYORXSA-N 2 1 301.459 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001172100779 1097042165 /nfs/dbraw/zinc/04/21/65/1097042165.db2.gz SZZVZDVMOFNZGK-BTTYYORXSA-N 2 1 301.459 3.401 20 0 DGADMP Cn1c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1C(F)(F)F ZINC001172098860 1097042587 /nfs/dbraw/zinc/04/25/87/1097042587.db2.gz GVSMTNAKXCURBP-XYYAHUGASA-N 2 1 315.383 3.149 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ncccc1C(F)(F)F)C2 ZINC001172099653 1097042769 /nfs/dbraw/zinc/04/27/69/1097042769.db2.gz MCSMXZRHRWJAKT-XYYAHUGASA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ncccc1C(F)(F)F)C2 ZINC001172099653 1097042775 /nfs/dbraw/zinc/04/27/75/1097042775.db2.gz MCSMXZRHRWJAKT-XYYAHUGASA-N 2 1 313.367 3.205 20 0 DGADMP CN(CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100523 1097043002 /nfs/dbraw/zinc/04/30/02/1097043002.db2.gz DIXVRJCMXQLAHB-GGPHIMKMSA-N 2 1 301.478 3.118 20 0 DGADMP [NH3+]Cc1cnn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066536 1097043923 /nfs/dbraw/zinc/04/39/23/1097043923.db2.gz ZGPBQIUIOOWGHU-BWTSREIZSA-N 2 1 310.445 3.100 20 0 DGADMP [NH3+]CCc1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172064199 1097044554 /nfs/dbraw/zinc/04/45/54/1097044554.db2.gz FTDJTSHGKDWSAB-PMOLBWCYSA-N 2 1 324.472 3.143 20 0 DGADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065750 1097044671 /nfs/dbraw/zinc/04/46/71/1097044671.db2.gz QFEIKTRZMHWRRR-GFXZNLHSSA-N 2 1 314.473 3.075 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127103 1097047480 /nfs/dbraw/zinc/04/74/80/1097047480.db2.gz GWPSVDOCZXLZDR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127103 1097047484 /nfs/dbraw/zinc/04/74/84/1097047484.db2.gz GWPSVDOCZXLZDR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127103 1097047491 /nfs/dbraw/zinc/04/74/91/1097047491.db2.gz GWPSVDOCZXLZDR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127103 1097047497 /nfs/dbraw/zinc/04/74/97/1097047497.db2.gz GWPSVDOCZXLZDR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127103 1097047504 /nfs/dbraw/zinc/04/75/04/1097047504.db2.gz GWPSVDOCZXLZDR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157569 1097048741 /nfs/dbraw/zinc/04/87/41/1097048741.db2.gz ZQIITDGWUGRGLP-KGLIPLIRSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157569 1097048747 /nfs/dbraw/zinc/04/87/47/1097048747.db2.gz ZQIITDGWUGRGLP-KGLIPLIRSA-N 2 1 304.331 3.009 20 0 DGADMP COc1cccc(CCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172104060 1097052923 /nfs/dbraw/zinc/05/29/23/1097052923.db2.gz ZGTSSCJISKBMJS-NNZMDNLPSA-N 2 1 302.462 3.233 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)nc1)C2 ZINC001172102258 1097053001 /nfs/dbraw/zinc/05/30/01/1097053001.db2.gz LLXYXQARMFEJKZ-BTTYYORXSA-N 2 1 313.367 3.205 20 0 DGADMP COc1cccc(OCCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172103177 1097053490 /nfs/dbraw/zinc/05/34/90/1097053490.db2.gz UCZMKQWPSDLQAC-BJWYYQGGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1cc2c(cc1C)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172111191 1097056002 /nfs/dbraw/zinc/05/60/02/1097056002.db2.gz QQGVQZHKTQQERH-AKHDSKFASA-N 2 1 314.473 3.076 20 0 DGADMP COc1cc2c(cc1C)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172111191 1097056009 /nfs/dbraw/zinc/05/60/09/1097056009.db2.gz QQGVQZHKTQQERH-AKHDSKFASA-N 2 1 314.473 3.076 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109036 1097056765 /nfs/dbraw/zinc/05/67/65/1097056765.db2.gz BOQRRQSAPRXDFD-XLMAVXFVSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109036 1097056768 /nfs/dbraw/zinc/05/67/68/1097056768.db2.gz BOQRRQSAPRXDFD-XLMAVXFVSA-N 2 1 303.425 3.277 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109252 1097056798 /nfs/dbraw/zinc/05/67/98/1097056798.db2.gz JBSUQKFGZJESPH-OWLYRPNTSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109252 1097056802 /nfs/dbraw/zinc/05/68/02/1097056802.db2.gz JBSUQKFGZJESPH-OWLYRPNTSA-N 2 1 302.462 3.318 20 0 DGADMP COc1ncccc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112501 1097058547 /nfs/dbraw/zinc/05/85/47/1097058547.db2.gz WNNOYLOWMQEBHH-CUSZFKRNSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112575 1097059161 /nfs/dbraw/zinc/05/91/61/1097059161.db2.gz XXJBGIFNUXPDBL-MKXGPGLRSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112575 1097059167 /nfs/dbraw/zinc/05/91/67/1097059167.db2.gz XXJBGIFNUXPDBL-MKXGPGLRSA-N 2 1 302.437 3.288 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206157344 1097061949 /nfs/dbraw/zinc/06/19/49/1097061949.db2.gz YBUVAEWNUOFFDW-HUUCEWRRSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206157344 1097061953 /nfs/dbraw/zinc/06/19/53/1097061953.db2.gz YBUVAEWNUOFFDW-HUUCEWRRSA-N 2 1 318.358 3.399 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001172121515 1097064015 /nfs/dbraw/zinc/06/40/15/1097064015.db2.gz KFBNFSXUXGMXOH-VUHPKUFZSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001172121515 1097064022 /nfs/dbraw/zinc/06/40/22/1097064022.db2.gz KFBNFSXUXGMXOH-VUHPKUFZSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001172121515 1097064029 /nfs/dbraw/zinc/06/40/29/1097064029.db2.gz KFBNFSXUXGMXOH-VUHPKUFZSA-N 2 1 300.446 3.155 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)o1)C2 ZINC001172116963 1097065127 /nfs/dbraw/zinc/06/51/27/1097065127.db2.gz JPQJSSNTELPJFR-CNDDSTCGSA-N 2 1 313.239 3.147 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)o1)C2 ZINC001172116963 1097065131 /nfs/dbraw/zinc/06/51/31/1097065131.db2.gz JPQJSSNTELPJFR-CNDDSTCGSA-N 2 1 313.239 3.147 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC001172244528 1097089608 /nfs/dbraw/zinc/08/96/08/1097089608.db2.gz UATVCXSCDNPYTM-UHFFFAOYSA-N 2 1 306.494 3.046 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2OC)CC1 ZINC001172250917 1097091434 /nfs/dbraw/zinc/09/14/34/1097091434.db2.gz ZMBODGRQVGZBKA-UHFFFAOYSA-N 2 1 320.477 3.021 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2ccccc2C)CC1 ZINC001172250519 1097091819 /nfs/dbraw/zinc/09/18/19/1097091819.db2.gz QOIFNKILVQKQGU-UHFFFAOYSA-N 2 1 318.505 3.407 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172281245 1097102444 /nfs/dbraw/zinc/10/24/44/1097102444.db2.gz QMYIZQXEZBREDG-ULQDDVLXSA-N 2 1 320.452 3.465 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC001172291947 1097106692 /nfs/dbraw/zinc/10/66/92/1097106692.db2.gz KKJOFIMWDUINFM-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC001172291947 1097106695 /nfs/dbraw/zinc/10/66/95/1097106695.db2.gz KKJOFIMWDUINFM-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC001172291947 1097106698 /nfs/dbraw/zinc/10/66/98/1097106698.db2.gz KKJOFIMWDUINFM-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172409148 1097131500 /nfs/dbraw/zinc/13/15/00/1097131500.db2.gz QRAADXDVAUIROA-FRYIKTPZSA-N 2 1 316.489 3.302 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172423217 1097135965 /nfs/dbraw/zinc/13/59/65/1097135965.db2.gz KDJARUSYZQPBFY-ZIFCJYIRSA-N 2 1 304.478 3.302 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172423217 1097135968 /nfs/dbraw/zinc/13/59/68/1097135968.db2.gz KDJARUSYZQPBFY-ZIFCJYIRSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@@H](CC(C)C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172401117 1097145894 /nfs/dbraw/zinc/14/58/94/1097145894.db2.gz JUJFXPJICVHOLX-KRWDZBQOSA-N 2 1 318.509 3.162 20 0 DGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)CCOCC(C)C)CC1 ZINC001172461121 1097161915 /nfs/dbraw/zinc/16/19/15/1097161915.db2.gz ZAAWHSAIVZWASC-QGZVFWFLSA-N 2 1 319.493 3.400 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C(F)(F)F)c3)[C@@H]2C1 ZINC001204089299 1097185920 /nfs/dbraw/zinc/18/59/20/1097185920.db2.gz LYLMJBXYSQULKF-YWPYICTPSA-N 2 1 316.342 3.274 20 0 DGADMP C[N@H+]1CCc2cc(OC3CCN(c4cc[nH+]cc4)CC3)ccc2C1 ZINC001228936229 1097221342 /nfs/dbraw/zinc/22/13/42/1097221342.db2.gz DLELAXVRTUYSGW-UHFFFAOYSA-N 2 1 323.440 3.117 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172746320 1097224223 /nfs/dbraw/zinc/22/42/23/1097224223.db2.gz NZFDDVHZWFOSDK-IRXDYDNUSA-N 2 1 320.477 3.204 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172751023 1097226217 /nfs/dbraw/zinc/22/62/17/1097226217.db2.gz IDJNSHJFWXCTRK-DJIMGWMZSA-N 2 1 310.482 3.089 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172755907 1097230798 /nfs/dbraw/zinc/23/07/98/1097230798.db2.gz LCEJGWGGBJNVNV-AEFFLSMTSA-N 2 1 320.477 3.389 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781362 1097241110 /nfs/dbraw/zinc/24/11/10/1097241110.db2.gz WOYIGOSYXKPHOO-BRSBDYLESA-N 2 1 322.493 3.090 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172874023 1097271759 /nfs/dbraw/zinc/27/17/59/1097271759.db2.gz ZQCAEZNUIWWGCW-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172874023 1097271762 /nfs/dbraw/zinc/27/17/62/1097271762.db2.gz ZQCAEZNUIWWGCW-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172874023 1097271767 /nfs/dbraw/zinc/27/17/67/1097271767.db2.gz ZQCAEZNUIWWGCW-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172874023 1097271772 /nfs/dbraw/zinc/27/17/72/1097271772.db2.gz ZQCAEZNUIWWGCW-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172942097 1097288256 /nfs/dbraw/zinc/28/82/56/1097288256.db2.gz IFZRZSLASIZRAX-VAMGGRTRSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172942097 1097288260 /nfs/dbraw/zinc/28/82/60/1097288260.db2.gz IFZRZSLASIZRAX-VAMGGRTRSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172942097 1097288266 /nfs/dbraw/zinc/28/82/66/1097288266.db2.gz IFZRZSLASIZRAX-VAMGGRTRSA-N 2 1 316.489 3.398 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc2c1 ZINC001206185204 1097308059 /nfs/dbraw/zinc/30/80/59/1097308059.db2.gz LQCOLQJPJKPWRG-MOPGFXCFSA-N 2 1 315.436 3.167 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc2c1 ZINC001206185204 1097308065 /nfs/dbraw/zinc/30/80/65/1097308065.db2.gz LQCOLQJPJKPWRG-MOPGFXCFSA-N 2 1 315.436 3.167 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CCOCC3)CC1)C2 ZINC001173041445 1097309927 /nfs/dbraw/zinc/30/99/27/1097309927.db2.gz AHJNGEURDYDWPM-NNZMDNLPSA-N 2 1 306.494 3.331 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CCOCC3)CC1)C2 ZINC001173041445 1097309931 /nfs/dbraw/zinc/30/99/31/1097309931.db2.gz AHJNGEURDYDWPM-NNZMDNLPSA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H](C)C1 ZINC001173044393 1097311377 /nfs/dbraw/zinc/31/13/77/1097311377.db2.gz CDZBKXPTOJIREX-FUHWJXTLSA-N 2 1 308.510 3.434 20 0 DGADMP CCOC(=O)[C@@H]([NH2+]C1CCC([NH+](CC)CC)CC1)[C@@H](C)CC ZINC001173102755 1097329128 /nfs/dbraw/zinc/32/91/28/1097329128.db2.gz BNIJQNTYBNFXET-OTBWCIGPSA-N 2 1 312.498 3.207 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@@H](C(=O)OC)C2CCCCC2)CC1 ZINC001173106303 1097330743 /nfs/dbraw/zinc/33/07/43/1097330743.db2.gz SUZFIWYQMHAMKS-DAWZGUTISA-N 2 1 324.509 3.351 20 0 DGADMP CC[NH+](CC)C1CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001173113101 1097332566 /nfs/dbraw/zinc/33/25/66/1097332566.db2.gz IUPMTDIVGGVLTQ-UHFFFAOYSA-N 3 1 307.526 3.198 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCC([N@H+](C)C3CC3)CC2)CC1 ZINC001173113101 1097332571 /nfs/dbraw/zinc/33/25/71/1097332571.db2.gz IUPMTDIVGGVLTQ-UHFFFAOYSA-N 2 1 307.526 3.198 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001173113101 1097332576 /nfs/dbraw/zinc/33/25/76/1097332576.db2.gz IUPMTDIVGGVLTQ-UHFFFAOYSA-N 2 1 307.526 3.198 20 0 DGADMP CC[NH+](CC)C1CCC([NH+]2CCC(N(C)C3CC3)CC2)CC1 ZINC001173113101 1097332581 /nfs/dbraw/zinc/33/25/81/1097332581.db2.gz IUPMTDIVGGVLTQ-UHFFFAOYSA-N 2 1 307.526 3.198 20 0 DGADMP CCOC(=O)C[N@@H+](C1CCCC1)C1CCC([NH+](CC)CC)CC1 ZINC001173112690 1097333218 /nfs/dbraw/zinc/33/32/18/1097333218.db2.gz BWNLXZQEQGEAJP-UHFFFAOYSA-N 2 1 324.509 3.447 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173168531 1097362965 /nfs/dbraw/zinc/36/29/65/1097362965.db2.gz KKEDADMWCYDPQV-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(Cl)nc1C ZINC001277414978 1097373810 /nfs/dbraw/zinc/37/38/10/1097373810.db2.gz AVDXIJXXYJEZOF-GASCZTMLSA-N 2 1 307.869 3.125 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(Cl)nc1C ZINC001277414978 1097373817 /nfs/dbraw/zinc/37/38/17/1097373817.db2.gz AVDXIJXXYJEZOF-GASCZTMLSA-N 2 1 307.869 3.125 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173209317 1097380597 /nfs/dbraw/zinc/38/05/97/1097380597.db2.gz XLLHNGXSZIUPSQ-ZVBHREPYSA-N 2 1 314.473 3.260 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001173265217 1097389133 /nfs/dbraw/zinc/38/91/33/1097389133.db2.gz QWYPLJNDOYFLPM-VQIMIIECSA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)C1 ZINC001173265242 1097389204 /nfs/dbraw/zinc/38/92/04/1097389204.db2.gz HSBLQZNTTPYIGH-YOFIQYCBSA-N 2 1 310.482 3.137 20 0 DGADMP CCSC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299914 1097402587 /nfs/dbraw/zinc/40/25/87/1097402587.db2.gz WZNKXRLHNSFKFV-XIRDDKMYSA-N 2 1 307.507 3.295 20 0 DGADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ccc1SC ZINC001277429127 1097407612 /nfs/dbraw/zinc/40/76/12/1097407612.db2.gz GGMZPBMEWJOZSV-UHFFFAOYSA-N 2 1 320.502 3.335 20 0 DGADMP CC[C@@H]1CC[C@H](n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)C1 ZINC001173279755 1097410996 /nfs/dbraw/zinc/41/09/96/1097410996.db2.gz JGXIEGJUPLVWDT-CABCVRRESA-N 2 1 304.482 3.120 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173437571 1097438363 /nfs/dbraw/zinc/43/83/63/1097438363.db2.gz NCIMXHNNNGSFAL-BBWFWOEESA-N 2 1 312.498 3.066 20 0 DGADMP CC[C@H](C)c1nn(C)cc1CN1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277451454 1097465244 /nfs/dbraw/zinc/46/52/44/1097465244.db2.gz BFDGUPLCHROFTP-QFBILLFUSA-N 2 1 318.509 3.241 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC001206214875 1097504042 /nfs/dbraw/zinc/50/40/42/1097504042.db2.gz GCTMAOANSMKFLU-IXDOHACOSA-N 2 1 308.510 3.434 20 0 DGADMP CCOc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1C ZINC001277526037 1097765600 /nfs/dbraw/zinc/76/56/00/1097765600.db2.gz ZGRJHZXARLXECK-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1C ZINC001277526037 1097765604 /nfs/dbraw/zinc/76/56/04/1097765604.db2.gz ZGRJHZXARLXECK-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1C ZINC001277526037 1097765609 /nfs/dbraw/zinc/76/56/09/1097765609.db2.gz ZGRJHZXARLXECK-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1C ZINC001277526037 1097765612 /nfs/dbraw/zinc/76/56/12/1097765612.db2.gz ZGRJHZXARLXECK-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1C ZINC001277526037 1097765616 /nfs/dbraw/zinc/76/56/16/1097765616.db2.gz ZGRJHZXARLXECK-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1C(C)C ZINC001231627270 1097795400 /nfs/dbraw/zinc/79/54/00/1097795400.db2.gz AHLZXWVQMUVOOL-CALCHBBNSA-N 2 1 302.462 3.120 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C(C)C ZINC001231627270 1097795405 /nfs/dbraw/zinc/79/54/05/1097795405.db2.gz AHLZXWVQMUVOOL-CALCHBBNSA-N 2 1 302.462 3.120 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C(C)C ZINC001231627270 1097795409 /nfs/dbraw/zinc/79/54/09/1097795409.db2.gz AHLZXWVQMUVOOL-CALCHBBNSA-N 2 1 302.462 3.120 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C(C)C ZINC001231627270 1097795415 /nfs/dbraw/zinc/79/54/15/1097795415.db2.gz AHLZXWVQMUVOOL-CALCHBBNSA-N 2 1 302.462 3.120 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2OC ZINC001231898026 1097883693 /nfs/dbraw/zinc/88/36/93/1097883693.db2.gz XGVAPZALJLXTFR-UHFFFAOYSA-N 2 1 303.450 3.340 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c[nH]nc3c2)CC1 ZINC001231908815 1097888360 /nfs/dbraw/zinc/88/83/60/1097888360.db2.gz KOAUTHGGFNESBA-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232017924 1097920202 /nfs/dbraw/zinc/92/02/02/1097920202.db2.gz BGCOSVOSQQOUMK-UHFFFAOYSA-N 3 1 300.450 3.259 20 0 DGADMP CCCC[C@@H](C(=O)OC)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062884 1097921116 /nfs/dbraw/zinc/92/11/16/1097921116.db2.gz VIXLWVOKIOOULA-SFHVURJKSA-N 2 1 320.477 3.302 20 0 DGADMP CCCC[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062884 1097921117 /nfs/dbraw/zinc/92/11/17/1097921117.db2.gz VIXLWVOKIOOULA-SFHVURJKSA-N 2 1 320.477 3.302 20 0 DGADMP CN1CCC([N@@H+](Cc2cc3ncccc3[nH]2)C2CCCC2)CC1 ZINC001232066336 1097929323 /nfs/dbraw/zinc/92/93/23/1097929323.db2.gz BNRBKGHNHBWVLL-UHFFFAOYSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001232102117 1097939780 /nfs/dbraw/zinc/93/97/80/1097939780.db2.gz OZMQTZBBJYFJBB-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001232147193 1097949083 /nfs/dbraw/zinc/94/90/83/1097949083.db2.gz LMOGPOGPLSODSR-QGZVFWFLSA-N 2 1 313.420 3.272 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001232353342 1098012462 /nfs/dbraw/zinc/01/24/62/1098012462.db2.gz LZNDPUSZRXCTGQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001232353342 1098012467 /nfs/dbraw/zinc/01/24/67/1098012467.db2.gz LZNDPUSZRXCTGQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001232353342 1098012472 /nfs/dbraw/zinc/01/24/72/1098012472.db2.gz LZNDPUSZRXCTGQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001232353342 1098012478 /nfs/dbraw/zinc/01/24/78/1098012478.db2.gz LZNDPUSZRXCTGQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4nccc(Cl)c34)C2)CC1 ZINC001232463995 1098046251 /nfs/dbraw/zinc/04/62/51/1098046251.db2.gz UMDIIOPGAUWYPA-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)c1 ZINC001277681744 1098078561 /nfs/dbraw/zinc/07/85/61/1098078561.db2.gz XYRNUMHTKAAFAW-LJQANCHMSA-N 2 1 315.461 3.004 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)c1 ZINC001277681744 1098078563 /nfs/dbraw/zinc/07/85/63/1098078563.db2.gz XYRNUMHTKAAFAW-LJQANCHMSA-N 2 1 315.461 3.004 20 0 DGADMP C[NH+]1CCC(COc2ccccc2NC2=CCC[N@@H+](C)C2)CC1 ZINC001175582982 1098088008 /nfs/dbraw/zinc/08/80/08/1098088008.db2.gz UTINRSOIZGRTNE-UHFFFAOYSA-N 2 1 315.461 3.039 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cncc3cnccc32)CC1 ZINC001232655221 1098108786 /nfs/dbraw/zinc/10/87/86/1098108786.db2.gz SLKKKOPAEWRBGZ-UHFFFAOYSA-N 2 1 312.461 3.326 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cncc3cnccc32)CC1 ZINC001232655221 1098108788 /nfs/dbraw/zinc/10/87/88/1098108788.db2.gz SLKKKOPAEWRBGZ-UHFFFAOYSA-N 2 1 312.461 3.326 20 0 DGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001175643766 1098112880 /nfs/dbraw/zinc/11/28/80/1098112880.db2.gz GJRUQBLTVMGKKB-HOTGVXAUSA-N 2 1 322.497 3.043 20 0 DGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703991 1098157997 /nfs/dbraw/zinc/15/79/97/1098157997.db2.gz PECCOHITNNGWJH-MRXNPFEDSA-N 2 1 322.497 3.036 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001232875166 1098158325 /nfs/dbraw/zinc/15/83/25/1098158325.db2.gz BNDSFFUQXKHNDE-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP COc1ncc(C[N@H+](C)CCC[NH+]2CCCC2)c2ccccc21 ZINC001232950200 1098180363 /nfs/dbraw/zinc/18/03/63/1098180363.db2.gz XYCYEEUQAIEDKA-UHFFFAOYSA-N 2 1 313.445 3.161 20 0 DGADMP COc1ncc(C[N@@H+](C)CCC[NH+]2CCCC2)c2ccccc21 ZINC001232950200 1098180367 /nfs/dbraw/zinc/18/03/67/1098180367.db2.gz XYCYEEUQAIEDKA-UHFFFAOYSA-N 2 1 313.445 3.161 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2c1c[nH+]cn1C ZINC001277765860 1098234052 /nfs/dbraw/zinc/23/40/52/1098234052.db2.gz UUCVDPRRMXTTEC-IKGGRYGDSA-N 2 1 304.482 3.290 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001204168579 1098256184 /nfs/dbraw/zinc/25/61/84/1098256184.db2.gz SUVBRNZXEPOSIB-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001204168579 1098256192 /nfs/dbraw/zinc/25/61/92/1098256192.db2.gz SUVBRNZXEPOSIB-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001204168579 1098256195 /nfs/dbraw/zinc/25/61/95/1098256195.db2.gz SUVBRNZXEPOSIB-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001204168579 1098256201 /nfs/dbraw/zinc/25/62/01/1098256201.db2.gz SUVBRNZXEPOSIB-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233230566 1098256671 /nfs/dbraw/zinc/25/66/71/1098256671.db2.gz JHPMXGJAVXTOMK-UHFFFAOYSA-N 2 1 320.477 3.345 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233230566 1098256675 /nfs/dbraw/zinc/25/66/75/1098256675.db2.gz JHPMXGJAVXTOMK-UHFFFAOYSA-N 2 1 320.477 3.345 20 0 DGADMP CCc1ccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001176106160 1098261360 /nfs/dbraw/zinc/26/13/60/1098261360.db2.gz YZTWFAJCRNMFIE-UHFFFAOYSA-N 2 1 316.489 3.025 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3c2CCO3)CC1 ZINC001233278583 1098273171 /nfs/dbraw/zinc/27/31/71/1098273171.db2.gz XKELXKCZAKWLQE-UHFFFAOYSA-N 2 1 302.462 3.318 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCO3)CC1 ZINC001233278583 1098273175 /nfs/dbraw/zinc/27/31/75/1098273175.db2.gz XKELXKCZAKWLQE-UHFFFAOYSA-N 2 1 302.462 3.318 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC ZINC001176268857 1098309764 /nfs/dbraw/zinc/30/97/64/1098309764.db2.gz NLNVPMXCVKATFZ-DLBZAZTESA-N 2 1 313.530 3.029 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001206269740 1098324024 /nfs/dbraw/zinc/32/40/24/1098324024.db2.gz TYGNSGAUZHWFFK-GFCCVEGCSA-N 2 1 301.261 3.467 20 0 DGADMP Cn1c[nH+]cc1C1CC[NH+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001176976961 1098459228 /nfs/dbraw/zinc/45/92/28/1098459228.db2.gz HIGJVPHHHDGMFZ-UHFFFAOYSA-N 2 1 322.412 3.455 20 0 DGADMP C[NH+](C)CCC[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC001177081828 1098465931 /nfs/dbraw/zinc/46/59/31/1098465931.db2.gz RNUZJAANDUZZTB-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP CC[N@@H+]1CCC[C@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065934 1098470529 /nfs/dbraw/zinc/47/05/29/1098470529.db2.gz IBFNWYMCQVGACK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065934 1098470532 /nfs/dbraw/zinc/47/05/32/1098470532.db2.gz IBFNWYMCQVGACK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065934 1098470533 /nfs/dbraw/zinc/47/05/33/1098470533.db2.gz IBFNWYMCQVGACK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065934 1098470535 /nfs/dbraw/zinc/47/05/35/1098470535.db2.gz IBFNWYMCQVGACK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OC ZINC001177133068 1098481773 /nfs/dbraw/zinc/48/17/73/1098481773.db2.gz RGPDOBCGQANACQ-INIZCTEOSA-N 2 1 320.477 3.448 20 0 DGADMP CSc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001277888517 1098661805 /nfs/dbraw/zinc/66/18/05/1098661805.db2.gz MINKQNNWRAZAPE-CALCHBBNSA-N 2 1 304.503 3.491 20 0 DGADMP CSc1cc(C)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001277888517 1098661810 /nfs/dbraw/zinc/66/18/10/1098661810.db2.gz MINKQNNWRAZAPE-CALCHBBNSA-N 2 1 304.503 3.491 20 0 DGADMP CSc1cc(C)cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001277888517 1098661814 /nfs/dbraw/zinc/66/18/14/1098661814.db2.gz MINKQNNWRAZAPE-CALCHBBNSA-N 2 1 304.503 3.491 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC001177972419 1098680053 /nfs/dbraw/zinc/68/00/53/1098680053.db2.gz KVGGIRWJLRMOHE-ARJAWSKDSA-N 2 1 320.452 3.318 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206318338 1098727864 /nfs/dbraw/zinc/72/78/64/1098727864.db2.gz PMBKYHDQTSSAIB-KRWDZBQOSA-N 2 1 324.852 3.078 20 0 DGADMP CC(C)=CCCC1=CC[C@@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001234978591 1098731471 /nfs/dbraw/zinc/73/14/71/1098731471.db2.gz AUDWDPQMOUSONH-WOJBJXKFSA-N 2 1 317.521 3.097 20 0 DGADMP Cc1c(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cccc1-c1ccccc1 ZINC001234976896 1098731638 /nfs/dbraw/zinc/73/16/38/1098731638.db2.gz XBXGIBAYNWRYIN-TZIWHRDSSA-N 2 1 322.452 3.082 20 0 DGADMP Cc1c(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cccc1-c1ccccc1 ZINC001234976896 1098731646 /nfs/dbraw/zinc/73/16/46/1098731646.db2.gz XBXGIBAYNWRYIN-TZIWHRDSSA-N 2 1 322.452 3.082 20 0 DGADMP CCCCCCc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)s1 ZINC001234992152 1098736310 /nfs/dbraw/zinc/73/63/10/1098736310.db2.gz JFDYZTHHVQKZGP-GOSISDBHSA-N 2 1 321.534 3.008 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001234990509 1098736751 /nfs/dbraw/zinc/73/67/51/1098736751.db2.gz ABJNMWVPGRZAAO-LJQANCHMSA-N 2 1 302.462 3.196 20 0 DGADMP Brc1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234992177 1098737338 /nfs/dbraw/zinc/73/73/38/1098737338.db2.gz JKWMDTWPZGOUFE-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP CCCCCCc1csc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234993838 1098738163 /nfs/dbraw/zinc/73/81/63/1098738163.db2.gz PNHNYDKWTNPILF-SFHVURJKSA-N 2 1 321.534 3.008 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993739 1098738278 /nfs/dbraw/zinc/73/82/78/1098738278.db2.gz RLGUYPOUAPDVBE-IBGZPJMESA-N 2 1 324.509 3.356 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC001234993073 1098738593 /nfs/dbraw/zinc/73/85/93/1098738593.db2.gz OTOGSRIRLCAPQO-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP c1c2ccccc2sc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235004707 1098746703 /nfs/dbraw/zinc/74/67/03/1098746703.db2.gz ATNBQTLGALHMME-SFHVURJKSA-N 2 1 316.470 3.103 20 0 DGADMP c1c2ccccc2sc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235004707 1098746713 /nfs/dbraw/zinc/74/67/13/1098746713.db2.gz ATNBQTLGALHMME-SFHVURJKSA-N 2 1 316.470 3.103 20 0 DGADMP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c(F)c1 ZINC001235032565 1098761433 /nfs/dbraw/zinc/76/14/33/1098761433.db2.gz RCAORUHUIRYBQO-HNAYVOBHSA-N 2 1 314.379 3.426 20 0 DGADMP Fc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c(F)c1 ZINC001235032565 1098761438 /nfs/dbraw/zinc/76/14/38/1098761438.db2.gz RCAORUHUIRYBQO-HNAYVOBHSA-N 2 1 314.379 3.426 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235034056 1098764971 /nfs/dbraw/zinc/76/49/71/1098764971.db2.gz TULGRCANFWGULT-OAQYLSRUSA-N 2 1 322.452 3.451 20 0 DGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235087574 1098790814 /nfs/dbraw/zinc/79/08/14/1098790814.db2.gz HQJYGBNCQKLGHN-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235087574 1098790823 /nfs/dbraw/zinc/79/08/23/1098790823.db2.gz HQJYGBNCQKLGHN-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP Fc1cccc(C(F)(F)F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091889 1098793248 /nfs/dbraw/zinc/79/32/48/1098793248.db2.gz DNQYBXMCXHZJRC-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP COc1cccc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235151893 1098837243 /nfs/dbraw/zinc/83/72/43/1098837243.db2.gz JEKQVMOEXOLKKO-IBGZPJMESA-N 2 1 302.462 3.092 20 0 DGADMP COc1cccc(OC)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152579 1098837477 /nfs/dbraw/zinc/83/74/77/1098837477.db2.gz HEORDNKZGXCFSD-QGZVFWFLSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccccc1CC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151266 1098838022 /nfs/dbraw/zinc/83/80/22/1098838022.db2.gz FHILVHAJAWIPOX-GOSISDBHSA-N 2 1 302.462 3.092 20 0 DGADMP COc1c(C)cnc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1C ZINC001235154080 1098840485 /nfs/dbraw/zinc/84/04/85/1098840485.db2.gz HWXAQBVWMSFQDE-SFHVURJKSA-N 2 1 317.477 3.061 20 0 DGADMP COc1nccc(Cl)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154704 1098842416 /nfs/dbraw/zinc/84/24/16/1098842416.db2.gz KLTOQPCVHSNGQQ-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154621 1098842564 /nfs/dbraw/zinc/84/25/64/1098842564.db2.gz IVWRVULHQGKEJQ-SFHVURJKSA-N 2 1 320.452 3.497 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155516 1098842983 /nfs/dbraw/zinc/84/29/83/1098842983.db2.gz LGGDOJLTCYQWSG-GOSISDBHSA-N 2 1 320.452 3.497 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1F ZINC001235155722 1098843127 /nfs/dbraw/zinc/84/31/27/1098843127.db2.gz DVYLUGPHQIHNLH-HNNXBMFYSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158638 1098845410 /nfs/dbraw/zinc/84/54/10/1098845410.db2.gz LUZPKAHFYIJGKL-GOSISDBHSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2c(c1)[nH]nc2C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158638 1098845418 /nfs/dbraw/zinc/84/54/18/1098845418.db2.gz LUZPKAHFYIJGKL-GOSISDBHSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2c(c1)[nH]nc2C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158638 1098845428 /nfs/dbraw/zinc/84/54/28/1098845428.db2.gz LUZPKAHFYIJGKL-GOSISDBHSA-N 2 1 316.424 3.056 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235158742 1098845449 /nfs/dbraw/zinc/84/54/49/1098845449.db2.gz NFBLQXGZMBJLLS-IBGZPJMESA-N 2 1 301.478 3.107 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235161618 1098847523 /nfs/dbraw/zinc/84/75/23/1098847523.db2.gz UBGRQCRTAQXZNN-MRXNPFEDSA-N 2 1 306.425 3.188 20 0 DGADMP Cn1ccc(-c2ccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2)n1 ZINC001235172873 1098854694 /nfs/dbraw/zinc/85/46/94/1098854694.db2.gz CUKXEMYXGRFESP-FQEVSTJZSA-N 2 1 324.472 3.195 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2)n1 ZINC001235172873 1098854707 /nfs/dbraw/zinc/85/47/07/1098854707.db2.gz CUKXEMYXGRFESP-FQEVSTJZSA-N 2 1 324.472 3.195 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235183552 1098864180 /nfs/dbraw/zinc/86/41/80/1098864180.db2.gz BCFPRDBGEPULFQ-RTWAWAEBSA-N 2 1 306.453 3.319 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235224886 1098895969 /nfs/dbraw/zinc/89/59/69/1098895969.db2.gz OXIVUNNKSONPAD-HOCLYGCPSA-N 2 1 310.363 3.148 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235224886 1098895986 /nfs/dbraw/zinc/89/59/86/1098895986.db2.gz OXIVUNNKSONPAD-HOCLYGCPSA-N 2 1 310.363 3.148 20 0 DGADMP Cc1ccc2[nH]nc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235228359 1098901283 /nfs/dbraw/zinc/90/12/83/1098901283.db2.gz MEWMCCCPODZCIU-QGZVFWFLSA-N 2 1 312.461 3.225 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239979 1098911106 /nfs/dbraw/zinc/91/11/06/1098911106.db2.gz HFHXTXOHYJHDSG-SJLPKXTDSA-N 2 1 310.482 3.093 20 0 DGADMP COc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1F ZINC001235240268 1098914020 /nfs/dbraw/zinc/91/40/20/1098914020.db2.gz LEXHZSFWRCVJSF-OAHLLOKOSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cnc1Cl ZINC001235241141 1098914133 /nfs/dbraw/zinc/91/41/33/1098914133.db2.gz YVOJMXQNXLWBPF-HNNXBMFYSA-N 2 1 311.832 3.228 20 0 DGADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1 ZINC001235256313 1098928222 /nfs/dbraw/zinc/92/82/22/1098928222.db2.gz RUNJVGTVLVPJGY-IHPCNDPISA-N 2 1 322.452 3.496 20 0 DGADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1 ZINC001235256313 1098928224 /nfs/dbraw/zinc/92/82/24/1098928224.db2.gz RUNJVGTVLVPJGY-IHPCNDPISA-N 2 1 322.452 3.496 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235258249 1098929471 /nfs/dbraw/zinc/92/94/71/1098929471.db2.gz PPXDVYJBGJNQHU-TZIWHRDSSA-N 2 1 321.468 3.213 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235258249 1098929479 /nfs/dbraw/zinc/92/94/79/1098929479.db2.gz PPXDVYJBGJNQHU-TZIWHRDSSA-N 2 1 321.468 3.213 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001235260647 1098933007 /nfs/dbraw/zinc/93/30/07/1098933007.db2.gz GYFDSLIKYZZVHT-MSOLQXFVSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001235260647 1098933014 /nfs/dbraw/zinc/93/30/14/1098933014.db2.gz GYFDSLIKYZZVHT-MSOLQXFVSA-N 2 1 302.462 3.274 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC001235273292 1098939661 /nfs/dbraw/zinc/93/96/61/1098939661.db2.gz RFLGCCPQEBNVAE-ICSRJNTNSA-N 2 1 309.457 3.090 20 0 DGADMP Cc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235285946 1098943705 /nfs/dbraw/zinc/94/37/05/1098943705.db2.gz WQWJDTOBJPRTBH-OPVJXMOQSA-N 2 1 307.441 3.152 20 0 DGADMP FC(F)(F)c1cccc(Cl)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342466 1098966624 /nfs/dbraw/zinc/96/66/24/1098966624.db2.gz WCMAETGDNIJPFY-JTQLQIEISA-N 2 1 318.770 3.400 20 0 DGADMP Cc1ccc(O)cc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235357381 1098976437 /nfs/dbraw/zinc/97/64/37/1098976437.db2.gz AFJZKIUJUINAEX-NHCUHLMSSA-N 2 1 322.452 3.280 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235360927 1098978574 /nfs/dbraw/zinc/97/85/74/1098978574.db2.gz DCVYYBAZHHQKAR-YADHBBJMSA-N 2 1 320.480 3.482 20 0 DGADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235369487 1098983194 /nfs/dbraw/zinc/98/31/94/1098983194.db2.gz RJJGBBSEBXCAAZ-ROOWYXCHSA-N 2 1 306.494 3.356 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235366264 1098983734 /nfs/dbraw/zinc/98/37/34/1098983734.db2.gz QRMXTWQQHOVRAL-PZJWPPBQSA-N 2 1 322.452 3.145 20 0 DGADMP Cc1ccc(O)cc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235373915 1098985650 /nfs/dbraw/zinc/98/56/50/1098985650.db2.gz AFJZKIUJUINAEX-RTWAWAEBSA-N 2 1 322.452 3.280 20 0 DGADMP Nc1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235379007 1098987938 /nfs/dbraw/zinc/98/79/38/1098987938.db2.gz FOLPYGXFIBOSNO-CTNGQTDRSA-N 2 1 321.468 3.022 20 0 DGADMP [NH3+]C1([C@@H]2C[N@@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@H]2CF)CC1 ZINC001235396421 1098993179 /nfs/dbraw/zinc/99/31/79/1098993179.db2.gz JQLKQJGNLUPRKA-DGCLKSJQSA-N 2 1 321.827 3.330 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001235403244 1098999316 /nfs/dbraw/zinc/99/93/16/1098999316.db2.gz KUGUTCRYJFQGJX-RTBURBONSA-N 2 1 313.420 3.001 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001235406103 1099001336 /nfs/dbraw/zinc/00/13/36/1099001336.db2.gz PUXFHDKSPJYVRG-SJORKVTESA-N 2 1 304.434 3.425 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1C ZINC001235408260 1099005278 /nfs/dbraw/zinc/00/52/78/1099005278.db2.gz UIQMJVOQJUCJTM-RTBURBONSA-N 2 1 320.452 3.144 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1OC(C)C ZINC001235409332 1099008300 /nfs/dbraw/zinc/00/83/00/1099008300.db2.gz WKYHZJCWKFICFR-RTBURBONSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1OC(C)C ZINC001235409332 1099008311 /nfs/dbraw/zinc/00/83/11/1099008311.db2.gz WKYHZJCWKFICFR-RTBURBONSA-N 2 1 320.452 3.306 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424034 1099016096 /nfs/dbraw/zinc/01/60/96/1099016096.db2.gz IYCKMELZWSIYHH-GJZGRUSLSA-N 2 1 306.425 3.046 20 0 DGADMP Cc1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235425159 1099016465 /nfs/dbraw/zinc/01/64/65/1099016465.db2.gz ILOOGOIQNIGXBO-ZBFHGGJFSA-N 2 1 308.416 3.485 20 0 DGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235427406 1099019027 /nfs/dbraw/zinc/01/90/27/1099019027.db2.gz RSNUOUCMTIHXID-JKSUJKDBSA-N 2 1 308.416 3.219 20 0 DGADMP Fc1cc(F)c(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425638 1099019803 /nfs/dbraw/zinc/01/98/03/1099019803.db2.gz MEHNCFVGNIEHSN-OLZOCXBDSA-N 2 1 312.379 3.316 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC001235428977 1099022884 /nfs/dbraw/zinc/02/28/84/1099022884.db2.gz WAOWZFSSEYXHAD-IRXDYDNUSA-N 2 1 311.473 3.390 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235431303 1099027681 /nfs/dbraw/zinc/02/76/81/1099027681.db2.gz ZHUPPFAJAPKCRA-HZPDHXFCSA-N 2 1 320.452 3.436 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431217 1099028457 /nfs/dbraw/zinc/02/84/57/1099028457.db2.gz MUGCXXRYJYVNEI-GVDBMIGSSA-N 2 1 318.509 3.145 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235431306 1099029672 /nfs/dbraw/zinc/02/96/72/1099029672.db2.gz ZHUPPFAJAPKCRA-JKSUJKDBSA-N 2 1 320.452 3.436 20 0 DGADMP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)CC1CC[NH2+]CC1 ZINC001235434056 1099032528 /nfs/dbraw/zinc/03/25/28/1099032528.db2.gz ZQCFNFBRYPWQLP-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP COc1cc(OCc2ccccc2)ccc1C[N@H+](C)CCC[NH3+] ZINC001235435251 1099032664 /nfs/dbraw/zinc/03/26/64/1099032664.db2.gz FJAISUNUDNLJLS-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1cc(OCc2ccccc2)ccc1C[N@@H+](C)CCC[NH3+] ZINC001235435251 1099032678 /nfs/dbraw/zinc/03/26/78/1099032678.db2.gz FJAISUNUDNLJLS-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1cc(F)cc(OCc2ccccc2)c1 ZINC001235441271 1099038143 /nfs/dbraw/zinc/03/81/43/1099038143.db2.gz IXFVSRMXUDFURU-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc(F)cc(OCc2ccccc2)c1 ZINC001235441271 1099038157 /nfs/dbraw/zinc/03/81/57/1099038157.db2.gz IXFVSRMXUDFURU-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP CCC[N@@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238289 1099043451 /nfs/dbraw/zinc/04/34/51/1099043451.db2.gz JNJYVNVBMIXBFK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238289 1099043469 /nfs/dbraw/zinc/04/34/69/1099043469.db2.gz JNJYVNVBMIXBFK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238289 1099043478 /nfs/dbraw/zinc/04/34/78/1099043478.db2.gz JNJYVNVBMIXBFK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238289 1099043489 /nfs/dbraw/zinc/04/34/89/1099043489.db2.gz JNJYVNVBMIXBFK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@@H+]1CC[C@@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238290 1099044437 /nfs/dbraw/zinc/04/44/37/1099044437.db2.gz JNJYVNVBMIXBFK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CC[C@@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238290 1099044450 /nfs/dbraw/zinc/04/44/50/1099044450.db2.gz JNJYVNVBMIXBFK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@@H](N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238290 1099044463 /nfs/dbraw/zinc/04/44/63/1099044463.db2.gz JNJYVNVBMIXBFK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@@H](N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238290 1099044472 /nfs/dbraw/zinc/04/44/72/1099044472.db2.gz JNJYVNVBMIXBFK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP COc1cncc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001235471586 1099056870 /nfs/dbraw/zinc/05/68/70/1099056870.db2.gz UGGJIJABHIBNJG-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cncc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001235471586 1099056879 /nfs/dbraw/zinc/05/68/79/1099056879.db2.gz UGGJIJABHIBNJG-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001235471586 1099056892 /nfs/dbraw/zinc/05/68/92/1099056892.db2.gz UGGJIJABHIBNJG-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1C ZINC001235471586 1099056903 /nfs/dbraw/zinc/05/69/03/1099056903.db2.gz UGGJIJABHIBNJG-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP CC[C@H]([NH3+])CN1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235560310 1099085827 /nfs/dbraw/zinc/08/58/27/1099085827.db2.gz QDPCEABLVDCIEN-CWLKWCNXSA-N 2 1 321.534 3.018 20 0 DGADMP C(C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC001235595559 1099094832 /nfs/dbraw/zinc/09/48/32/1099094832.db2.gz XJRSWOLDFRMGCA-YDZRNGNQSA-N 2 1 306.494 3.046 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](C)O)C2 ZINC001277959294 1099106526 /nfs/dbraw/zinc/10/65/26/1099106526.db2.gz REZVNFSJVCUURX-FHWLQOOXSA-N 2 1 310.526 3.372 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](C)O)C2 ZINC001277959294 1099106529 /nfs/dbraw/zinc/10/65/29/1099106529.db2.gz REZVNFSJVCUURX-FHWLQOOXSA-N 2 1 310.526 3.372 20 0 DGADMP Cc1ccccc1C[N@@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235662481 1099111192 /nfs/dbraw/zinc/11/11/92/1099111192.db2.gz TXKZMCCKGMNRNL-UHFFFAOYSA-N 2 1 323.484 3.032 20 0 DGADMP c1c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)sc2c1CC[NH2+]C2 ZINC001235673233 1099115734 /nfs/dbraw/zinc/11/57/34/1099115734.db2.gz DEWVPMCSSJBYFA-INIZCTEOSA-N 2 1 314.454 3.047 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001235672930 1099116497 /nfs/dbraw/zinc/11/64/97/1099116497.db2.gz AHOCLFNABDKVPW-GJZGRUSLSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001235672930 1099116502 /nfs/dbraw/zinc/11/65/02/1099116502.db2.gz AHOCLFNABDKVPW-GJZGRUSLSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001235672942 1099116510 /nfs/dbraw/zinc/11/65/10/1099116510.db2.gz AHOCLFNABDKVPW-LSDHHAIUSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001235672942 1099116515 /nfs/dbraw/zinc/11/65/15/1099116515.db2.gz AHOCLFNABDKVPW-LSDHHAIUSA-N 2 1 308.853 3.101 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001235674453 1099117684 /nfs/dbraw/zinc/11/76/84/1099117684.db2.gz SVWATXBXTQFXCH-CQSZACIVSA-N 2 1 303.837 3.301 20 0 DGADMP c1ccc(CO[C@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235688532 1099128045 /nfs/dbraw/zinc/12/80/45/1099128045.db2.gz QMCQLUGNJDAADO-IBGZPJMESA-N 2 1 314.473 3.057 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235691564 1099130649 /nfs/dbraw/zinc/13/06/49/1099130649.db2.gz KMMCWCRXENWZBA-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2cccs2)CC1 ZINC001235692011 1099130719 /nfs/dbraw/zinc/13/07/19/1099130719.db2.gz MWHWBLAPMSPKRG-GXTWGEPZSA-N 2 1 314.445 3.418 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001235693145 1099132211 /nfs/dbraw/zinc/13/22/11/1099132211.db2.gz SJSTWWMQNKRAEC-LJQANCHMSA-N 2 1 310.441 3.497 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711705 1099139238 /nfs/dbraw/zinc/13/92/38/1099139238.db2.gz TYQFDZQVKOQNSG-UHFFFAOYSA-N 2 1 312.379 3.323 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711705 1099139245 /nfs/dbraw/zinc/13/92/45/1099139245.db2.gz TYQFDZQVKOQNSG-UHFFFAOYSA-N 2 1 312.379 3.323 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC001235712605 1099141276 /nfs/dbraw/zinc/14/12/76/1099141276.db2.gz LPLHTLUJJFPDPN-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717850 1099143010 /nfs/dbraw/zinc/14/30/10/1099143010.db2.gz NQRPSZZCKWQFKQ-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP Fc1ccc(F)c([C@@H]2CCC[N@@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235715761 1099143650 /nfs/dbraw/zinc/14/36/50/1099143650.db2.gz VJYWERTVAVYNIO-SFHVURJKSA-N 2 1 317.383 3.207 20 0 DGADMP Fc1ccc(F)c([C@@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235715761 1099143657 /nfs/dbraw/zinc/14/36/57/1099143657.db2.gz VJYWERTVAVYNIO-SFHVURJKSA-N 2 1 317.383 3.207 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(F)c(Cl)cc1F ZINC001235717635 1099143868 /nfs/dbraw/zinc/14/38/68/1099143868.db2.gz XAGZWMCRUVHZPC-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+](C)CCC2CC[NH2+]CC2)[nH]1 ZINC001235717308 1099144207 /nfs/dbraw/zinc/14/42/07/1099144207.db2.gz QMWQXDSEOYIYRJ-UHFFFAOYSA-N 2 1 312.889 3.227 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+](C)CCC2CC[NH2+]CC2)[nH]1 ZINC001235717308 1099144211 /nfs/dbraw/zinc/14/42/11/1099144211.db2.gz QMWQXDSEOYIYRJ-UHFFFAOYSA-N 2 1 312.889 3.227 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001235726120 1099149268 /nfs/dbraw/zinc/14/92/68/1099149268.db2.gz MUTOBDYCZRUBLX-GOSISDBHSA-N 2 1 320.502 3.175 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2CC2(C)CC[NH2+]CC2)cc1 ZINC001235725999 1099149324 /nfs/dbraw/zinc/14/93/24/1099149324.db2.gz LKZOLRUOCQZMNU-KRWDZBQOSA-N 2 1 320.502 3.175 20 0 DGADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001235749560 1099163174 /nfs/dbraw/zinc/16/31/74/1099163174.db2.gz IFMWURAQINWZAN-INIZCTEOSA-N 2 1 313.420 3.374 20 0 DGADMP c1cc(S[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)ccn1 ZINC001235750302 1099163495 /nfs/dbraw/zinc/16/34/95/1099163495.db2.gz OWGWVEBNSCKLCD-NVXWUHKLSA-N 2 1 305.491 3.170 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839229 1099203126 /nfs/dbraw/zinc/20/31/26/1099203126.db2.gz OFMCDORCNBRQKP-SWLSCSKDSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839229 1099203131 /nfs/dbraw/zinc/20/31/31/1099203131.db2.gz OFMCDORCNBRQKP-SWLSCSKDSA-N 2 1 316.823 3.305 20 0 DGADMP CCc1sc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1Br ZINC001235841459 1099204515 /nfs/dbraw/zinc/20/45/15/1099204515.db2.gz GBKQFBFFXAPEMS-JTQLQIEISA-N 2 1 317.296 3.114 20 0 DGADMP CCc1sc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1Br ZINC001235841459 1099204519 /nfs/dbraw/zinc/20/45/19/1099204519.db2.gz GBKQFBFFXAPEMS-JTQLQIEISA-N 2 1 317.296 3.114 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001235841094 1099205163 /nfs/dbraw/zinc/20/51/63/1099205163.db2.gz VRBKPQHMAORIMB-GOSISDBHSA-N 2 1 323.484 3.461 20 0 DGADMP COc1ccccc1CC[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC001235843625 1099206389 /nfs/dbraw/zinc/20/63/89/1099206389.db2.gz ZWUPRWMFDCPZQN-UHFFFAOYSA-N 2 1 304.478 3.482 20 0 DGADMP Fc1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001235864929 1099225586 /nfs/dbraw/zinc/22/55/86/1099225586.db2.gz LAPGWOMTDKIKEX-PBHICJAKSA-N 2 1 308.466 3.305 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235867263 1099226951 /nfs/dbraw/zinc/22/69/51/1099226951.db2.gz NFGBDDXJCHMKTN-AZUAARDMSA-N 2 1 313.489 3.251 20 0 DGADMP Brc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235882581 1099231833 /nfs/dbraw/zinc/23/18/33/1099231833.db2.gz OGANTCQBVBXYGS-UKRRQHHQSA-N 2 1 323.278 3.238 20 0 DGADMP CCOc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)cn1 ZINC001235889394 1099235229 /nfs/dbraw/zinc/23/52/29/1099235229.db2.gz VPEQPWKDFZXUJQ-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892027 1099237070 /nfs/dbraw/zinc/23/70/70/1099237070.db2.gz KKJMOUJITKJSKX-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892027 1099237075 /nfs/dbraw/zinc/23/70/75/1099237075.db2.gz KKJMOUJITKJSKX-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179978441 1099264814 /nfs/dbraw/zinc/26/48/14/1099264814.db2.gz AGAOVLVLNVVDMI-XDIYQJDNSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001235929093 1099265638 /nfs/dbraw/zinc/26/56/38/1099265638.db2.gz HRDUAAOICQPXRI-GBESFXJTSA-N 2 1 320.521 3.195 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930434 1099266959 /nfs/dbraw/zinc/26/69/59/1099266959.db2.gz WUBJUGGOGMLFMU-STQMWFEESA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930434 1099266965 /nfs/dbraw/zinc/26/69/65/1099266965.db2.gz WUBJUGGOGMLFMU-STQMWFEESA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235934124 1099268701 /nfs/dbraw/zinc/26/87/01/1099268701.db2.gz BIHZCLYXRZPXLB-CHWSQXEVSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235936264 1099270414 /nfs/dbraw/zinc/27/04/14/1099270414.db2.gz GIINPFJMMPZONY-RYUDHWBXSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235936264 1099270419 /nfs/dbraw/zinc/27/04/19/1099270419.db2.gz GIINPFJMMPZONY-RYUDHWBXSA-N 2 1 318.770 3.400 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235935641 1099271315 /nfs/dbraw/zinc/27/13/15/1099271315.db2.gz WTJDCCTXFIAWFQ-INWMFGNUSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235935641 1099271324 /nfs/dbraw/zinc/27/13/24/1099271324.db2.gz WTJDCCTXFIAWFQ-INWMFGNUSA-N 2 1 312.379 3.106 20 0 DGADMP COCCC[N@@H+](CCc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC001235936580 1099271370 /nfs/dbraw/zinc/27/13/70/1099271370.db2.gz SMAKNTUAFNDWAB-UHFFFAOYSA-N 2 1 318.505 3.443 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235939269 1099274075 /nfs/dbraw/zinc/27/40/75/1099274075.db2.gz OOKFZVVVBNPAQO-VQTJNVASSA-N 2 1 322.452 3.404 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939807 1099275244 /nfs/dbraw/zinc/27/52/44/1099275244.db2.gz KMQAJMPBFPEFJN-ABAIWWIYSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939807 1099275255 /nfs/dbraw/zinc/27/52/55/1099275255.db2.gz KMQAJMPBFPEFJN-ABAIWWIYSA-N 2 1 314.807 3.189 20 0 DGADMP COc1ccc(C[N@H+](CC[NH3+])C(C)C)c2c(OC)cccc12 ZINC001235946873 1099278275 /nfs/dbraw/zinc/27/82/75/1099278275.db2.gz AIFTTYVFCPPHNQ-UHFFFAOYSA-N 2 1 302.418 3.026 20 0 DGADMP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)c2c(OC)cccc12 ZINC001235946873 1099278279 /nfs/dbraw/zinc/27/82/79/1099278279.db2.gz AIFTTYVFCPPHNQ-UHFFFAOYSA-N 2 1 302.418 3.026 20 0 DGADMP C[C@H]([NH3+])CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947776 1099281017 /nfs/dbraw/zinc/28/10/17/1099281017.db2.gz FUCFKTVEZRQNJB-RXVVDRJESA-N 2 1 323.484 3.110 20 0 DGADMP CC[N@@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235949234 1099283796 /nfs/dbraw/zinc/28/37/96/1099283796.db2.gz ZVVXLVLYZSONEX-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1cccc(C[NH3+])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949234 1099283803 /nfs/dbraw/zinc/28/38/03/1099283803.db2.gz ZVVXLVLYZSONEX-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1cccc(C[NH3+])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949234 1099283810 /nfs/dbraw/zinc/28/38/10/1099283810.db2.gz ZVVXLVLYZSONEX-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001235949840 1099284021 /nfs/dbraw/zinc/28/40/21/1099284021.db2.gz UUQJOVXHCSQIBO-BXUZGUMPSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC001235949840 1099284024 /nfs/dbraw/zinc/28/40/24/1099284024.db2.gz UUQJOVXHCSQIBO-BXUZGUMPSA-N 2 1 314.807 3.189 20 0 DGADMP Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)CCO2)cc1 ZINC001235948912 1099284189 /nfs/dbraw/zinc/28/41/89/1099284189.db2.gz SIPDQVQOYHJHEQ-OAQYLSRUSA-N 2 1 322.452 3.346 20 0 DGADMP Cc1c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001235956712 1099287177 /nfs/dbraw/zinc/28/71/77/1099287177.db2.gz GFMGPOWWYFVVPK-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+](C)C[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001235958193 1099288590 /nfs/dbraw/zinc/28/85/90/1099288590.db2.gz YHONCACILVYMIC-QGZVFWFLSA-N 2 1 309.457 3.488 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001235958193 1099288593 /nfs/dbraw/zinc/28/85/93/1099288593.db2.gz YHONCACILVYMIC-QGZVFWFLSA-N 2 1 309.457 3.488 20 0 DGADMP CC1(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH2+]CC1 ZINC001235958091 1099288826 /nfs/dbraw/zinc/28/88/26/1099288826.db2.gz GAHRGIVHMLSLNC-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP COc1ccc2sc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc2c1 ZINC001235958717 1099290830 /nfs/dbraw/zinc/29/08/30/1099290830.db2.gz CDJPHNSUDLNGLL-DPIQGUFMSA-N 2 1 302.443 3.079 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)c1 ZINC001235959479 1099291333 /nfs/dbraw/zinc/29/13/33/1099291333.db2.gz VKLKFAGONGOOTQ-FQEVSTJZSA-N 2 1 310.441 3.327 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235959122 1099291999 /nfs/dbraw/zinc/29/19/99/1099291999.db2.gz UDSROBQJOGOQHO-RBUKOAKNSA-N 2 1 302.462 3.200 20 0 DGADMP CC1(C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235969642 1099297837 /nfs/dbraw/zinc/29/78/37/1099297837.db2.gz SOBJOAOJACTRSO-SFHVURJKSA-N 2 1 322.880 3.277 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235972270 1099301397 /nfs/dbraw/zinc/30/13/97/1099301397.db2.gz FLZLGOACNVFSNI-WMLDXEAASA-N 2 1 308.853 3.183 20 0 DGADMP Cc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc(C)n1 ZINC001235972650 1099301826 /nfs/dbraw/zinc/30/18/26/1099301826.db2.gz HQVWVIUUIVYKMC-UHFFFAOYSA-N 2 1 321.468 3.335 20 0 DGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180123243 1099321798 /nfs/dbraw/zinc/32/17/98/1099321798.db2.gz CFYVDJAMFDMAES-UHFFFAOYSA-N 2 1 313.530 3.175 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974421 1099303770 /nfs/dbraw/zinc/30/37/70/1099303770.db2.gz QZWPQPXRSSIQAP-PMACEKPBSA-N 3 1 313.489 3.129 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974421 1099303778 /nfs/dbraw/zinc/30/37/78/1099303778.db2.gz QZWPQPXRSSIQAP-PMACEKPBSA-N 3 1 313.489 3.129 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974421 1099303787 /nfs/dbraw/zinc/30/37/87/1099303787.db2.gz QZWPQPXRSSIQAP-PMACEKPBSA-N 3 1 313.489 3.129 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974421 1099303796 /nfs/dbraw/zinc/30/37/96/1099303796.db2.gz QZWPQPXRSSIQAP-PMACEKPBSA-N 2 1 313.489 3.129 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974421 1099303805 /nfs/dbraw/zinc/30/38/05/1099303805.db2.gz QZWPQPXRSSIQAP-PMACEKPBSA-N 2 1 313.489 3.129 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CCC[C@H](Oc4ccc(Cl)cc4)C3)(C1)C2 ZINC001235973931 1099304653 /nfs/dbraw/zinc/30/46/53/1099304653.db2.gz QCWJXDCKSRDGDO-AOCRQIFASA-N 2 1 320.864 3.455 20 0 DGADMP Cc1ccc(O)cc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977002 1099306702 /nfs/dbraw/zinc/30/67/02/1099306702.db2.gz GGUHKGNWABZAKX-UHFFFAOYSA-N 2 1 322.452 3.338 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001235986827 1099311235 /nfs/dbraw/zinc/31/12/35/1099311235.db2.gz RILWIYMQUHFXRZ-RDBSUJKOSA-N 2 1 304.400 3.081 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235989277 1099314182 /nfs/dbraw/zinc/31/41/82/1099314182.db2.gz IULCPWRPAKHJRO-QRWLVFNGSA-N 2 1 305.425 3.255 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235989277 1099314193 /nfs/dbraw/zinc/31/41/93/1099314193.db2.gz IULCPWRPAKHJRO-QRWLVFNGSA-N 2 1 305.425 3.255 20 0 DGADMP CCCCCCc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])s1 ZINC001236001132 1099323134 /nfs/dbraw/zinc/32/31/34/1099323134.db2.gz BGNWXULFOGXWPF-MVVMVCHASA-N 2 1 322.518 3.276 20 0 DGADMP c1ccc(CCCC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236006098 1099327086 /nfs/dbraw/zinc/32/70/86/1099327086.db2.gz NGDBIQXXBSBXKH-YADHBBJMSA-N 2 1 320.480 3.482 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc(C)c1F ZINC001236008237 1099331526 /nfs/dbraw/zinc/33/15/26/1099331526.db2.gz CJXALBGCDCJNBD-CTNGQTDRSA-N 2 1 324.443 3.416 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc(C)c1F ZINC001236008237 1099331536 /nfs/dbraw/zinc/33/15/36/1099331536.db2.gz CJXALBGCDCJNBD-CTNGQTDRSA-N 2 1 324.443 3.416 20 0 DGADMP c1cc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2o1 ZINC001236009921 1099333158 /nfs/dbraw/zinc/33/31/58/1099333158.db2.gz HUTOXTWQYGXGOV-CTNGQTDRSA-N 2 1 318.420 3.406 20 0 DGADMP COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC001236065461 1099364069 /nfs/dbraw/zinc/36/40/69/1099364069.db2.gz AGJGLFKLQLDPKO-PXNSSMCTSA-N 2 1 324.468 3.388 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2-c2ccccc2)C1 ZINC001236067403 1099365564 /nfs/dbraw/zinc/36/55/64/1099365564.db2.gz NMLPURNIJDLRRR-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236066636 1099366470 /nfs/dbraw/zinc/36/64/70/1099366470.db2.gz JFIJGXIVLOFVLV-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236071821 1099369789 /nfs/dbraw/zinc/36/97/89/1099369789.db2.gz JNUBVPGYTUNEPX-KRWDZBQOSA-N 2 1 321.468 3.043 20 0 DGADMP C[C@H]1C[N@H+](CCCc2ccccc2C(F)(F)F)CCC[NH2+]1 ZINC001236097711 1099387041 /nfs/dbraw/zinc/38/70/41/1099387041.db2.gz MMQGAEMMFPTEOW-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccccc2C(F)(F)F)CCC[NH2+]1 ZINC001236097711 1099387052 /nfs/dbraw/zinc/38/70/52/1099387052.db2.gz MMQGAEMMFPTEOW-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001236098094 1099389263 /nfs/dbraw/zinc/38/92/63/1099389263.db2.gz NOFKTHLXDKYKRZ-GOSISDBHSA-N 2 1 314.473 3.264 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001236184826 1099454289 /nfs/dbraw/zinc/45/42/89/1099454289.db2.gz VZOVXTWQORXQNF-VBNZEHGJSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001236184826 1099454295 /nfs/dbraw/zinc/45/42/95/1099454295.db2.gz VZOVXTWQORXQNF-VBNZEHGJSA-N 2 1 312.379 3.453 20 0 DGADMP CCC[N@H+](Cc1cnc(OC(C)C)cc1C)C1CC[NH2+]CC1 ZINC001236185054 1099454707 /nfs/dbraw/zinc/45/47/07/1099454707.db2.gz UUCHPRBDZGCUJG-UHFFFAOYSA-N 2 1 305.466 3.141 20 0 DGADMP CCC[N@@H+](Cc1cnc(OC(C)C)cc1C)C1CC[NH2+]CC1 ZINC001236185054 1099454720 /nfs/dbraw/zinc/45/47/20/1099454720.db2.gz UUCHPRBDZGCUJG-UHFFFAOYSA-N 2 1 305.466 3.141 20 0 DGADMP FC1(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH2+]CC1 ZINC001236193908 1099458913 /nfs/dbraw/zinc/45/89/13/1099458913.db2.gz UHICQVUOMGFXQG-KRWDZBQOSA-N 2 1 301.409 3.397 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001236199941 1099461091 /nfs/dbraw/zinc/46/10/91/1099461091.db2.gz GPTSLSZFGGJUIW-KZNAEPCWSA-N 2 1 324.509 3.068 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216612 1099474537 /nfs/dbraw/zinc/47/45/37/1099474537.db2.gz KRZKYGZIEBEYNE-IAGOWNOFSA-N 2 1 302.462 3.492 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216612 1099474541 /nfs/dbraw/zinc/47/45/41/1099474541.db2.gz KRZKYGZIEBEYNE-IAGOWNOFSA-N 2 1 302.462 3.492 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217198 1099474660 /nfs/dbraw/zinc/47/46/60/1099474660.db2.gz OCDSHMAIGUIUOS-SJORKVTESA-N 2 1 305.441 3.128 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217198 1099474663 /nfs/dbraw/zinc/47/46/63/1099474663.db2.gz OCDSHMAIGUIUOS-SJORKVTESA-N 2 1 305.441 3.128 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236221754 1099480421 /nfs/dbraw/zinc/48/04/21/1099480421.db2.gz FTVYIIZZIRGGGZ-UHFFFAOYSA-N 2 1 312.498 3.354 20 0 DGADMP COc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001236225666 1099481808 /nfs/dbraw/zinc/48/18/08/1099481808.db2.gz AUIVOCYLVWNZMX-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CN1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227233 1099483689 /nfs/dbraw/zinc/48/36/89/1099483689.db2.gz APJMBMPOBSYMCI-HDYDNRTBSA-N 2 1 315.505 3.100 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227233 1099483691 /nfs/dbraw/zinc/48/36/91/1099483691.db2.gz APJMBMPOBSYMCI-HDYDNRTBSA-N 3 1 315.505 3.100 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227233 1099483696 /nfs/dbraw/zinc/48/36/96/1099483696.db2.gz APJMBMPOBSYMCI-HDYDNRTBSA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227233 1099483700 /nfs/dbraw/zinc/48/37/00/1099483700.db2.gz APJMBMPOBSYMCI-HDYDNRTBSA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227233 1099483709 /nfs/dbraw/zinc/48/37/09/1099483709.db2.gz APJMBMPOBSYMCI-HDYDNRTBSA-N 3 1 315.505 3.100 20 0 DGADMP CCOc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(OCC)c1 ZINC001236226469 1099483721 /nfs/dbraw/zinc/48/37/21/1099483721.db2.gz MCVULNLFEMFSEM-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(OCC)c1 ZINC001236226469 1099483728 /nfs/dbraw/zinc/48/37/28/1099483728.db2.gz MCVULNLFEMFSEM-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CN1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227235 1099484125 /nfs/dbraw/zinc/48/41/25/1099484125.db2.gz APJMBMPOBSYMCI-XEVCZEQESA-N 2 1 315.505 3.100 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227235 1099484128 /nfs/dbraw/zinc/48/41/28/1099484128.db2.gz APJMBMPOBSYMCI-XEVCZEQESA-N 3 1 315.505 3.100 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227235 1099484138 /nfs/dbraw/zinc/48/41/38/1099484138.db2.gz APJMBMPOBSYMCI-XEVCZEQESA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227235 1099484142 /nfs/dbraw/zinc/48/41/42/1099484142.db2.gz APJMBMPOBSYMCI-XEVCZEQESA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001236227235 1099484151 /nfs/dbraw/zinc/48/41/51/1099484151.db2.gz APJMBMPOBSYMCI-XEVCZEQESA-N 3 1 315.505 3.100 20 0 DGADMP FC(F)(F)Sc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236238784 1099491894 /nfs/dbraw/zinc/49/18/94/1099491894.db2.gz BSQOJPQOUNLEFH-UHFFFAOYSA-N 2 1 304.381 3.484 20 0 DGADMP c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CCS2 ZINC001236240769 1099495139 /nfs/dbraw/zinc/49/51/39/1099495139.db2.gz OPGUNKVADVOSAY-UHFFFAOYSA-N 2 1 310.466 3.440 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001236243754 1099497368 /nfs/dbraw/zinc/49/73/68/1099497368.db2.gz FHMGOILMDFYMAY-CYBMUJFWSA-N 2 1 303.837 3.438 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001236243754 1099497383 /nfs/dbraw/zinc/49/73/83/1099497383.db2.gz FHMGOILMDFYMAY-CYBMUJFWSA-N 2 1 303.837 3.438 20 0 DGADMP c1[nH+]c(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)n2ccccc12 ZINC001236269835 1099511425 /nfs/dbraw/zinc/51/14/25/1099511425.db2.gz NVYYVJDQINDUNG-SFHVURJKSA-N 2 1 320.440 3.089 20 0 DGADMP Cc1ccc(O)cc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236305364 1099525245 /nfs/dbraw/zinc/52/52/45/1099525245.db2.gz URFCYVACFGOWBH-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP Cc1ccc(O)cc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236305364 1099525253 /nfs/dbraw/zinc/52/52/53/1099525253.db2.gz URFCYVACFGOWBH-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001236316383 1099530774 /nfs/dbraw/zinc/53/07/74/1099530774.db2.gz RPUCKSIHHOOIQK-BETUJISGSA-N 2 1 316.342 3.276 20 0 DGADMP Fc1cccc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315777 1099530855 /nfs/dbraw/zinc/53/08/55/1099530855.db2.gz NHYOTRRGVPLZFU-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP CC(C)Oc1c(F)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236321688 1099535428 /nfs/dbraw/zinc/53/54/28/1099535428.db2.gz OHMDAYANDZTCEZ-OKILXGFUSA-N 2 1 324.415 3.183 20 0 DGADMP CCCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001236323225 1099537141 /nfs/dbraw/zinc/53/71/41/1099537141.db2.gz YVAPZFJSUOMPTH-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)c1 ZINC001236334791 1099543740 /nfs/dbraw/zinc/54/37/40/1099543740.db2.gz LLHFDAREBPOVTD-QGZVFWFLSA-N 2 1 302.462 3.264 20 0 DGADMP Nc1ccc(F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236372940 1099557981 /nfs/dbraw/zinc/55/79/81/1099557981.db2.gz FLZQHGMNULCICV-ZDUSSCGKSA-N 2 1 323.431 3.291 20 0 DGADMP Nc1ccc(F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236372940 1099557992 /nfs/dbraw/zinc/55/79/92/1099557992.db2.gz FLZQHGMNULCICV-ZDUSSCGKSA-N 2 1 323.431 3.291 20 0 DGADMP CCOc1ccncc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373728 1099558078 /nfs/dbraw/zinc/55/80/78/1099558078.db2.gz KRUARMRCCKFUJB-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP CCOc1ccncc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373728 1099558087 /nfs/dbraw/zinc/55/80/87/1099558087.db2.gz KRUARMRCCKFUJB-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP COc1ccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236370373 1099558461 /nfs/dbraw/zinc/55/84/61/1099558461.db2.gz DSJRCPNYUHDJEV-GOSISDBHSA-N 2 1 316.489 3.482 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236407058 1099579348 /nfs/dbraw/zinc/57/93/48/1099579348.db2.gz BDJNCPWROMDRFJ-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236409548 1099583711 /nfs/dbraw/zinc/58/37/11/1099583711.db2.gz VSHQPIFNISIZQD-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409843 1099583898 /nfs/dbraw/zinc/58/38/98/1099583898.db2.gz XQYAOXWEAWAXTK-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1OC)C[C@@H]1CC[NH2+]C1 ZINC001236410139 1099584667 /nfs/dbraw/zinc/58/46/67/1099584667.db2.gz DNKVFUORFUILCC-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1OC)C[C@@H]1CC[NH2+]C1 ZINC001236410139 1099584685 /nfs/dbraw/zinc/58/46/85/1099584685.db2.gz DNKVFUORFUILCC-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP c1c(C[N@H+]2CCOC[C@@H]2C2CCCCC2)sc2c1CC[NH2+]C2 ZINC001236432867 1099608882 /nfs/dbraw/zinc/60/88/82/1099608882.db2.gz DTBQXOJJXZCQPM-QGZVFWFLSA-N 2 1 320.502 3.175 20 0 DGADMP COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC001236433536 1099609025 /nfs/dbraw/zinc/60/90/25/1099609025.db2.gz JZJMPPJKSWXQOZ-UHFFFAOYSA-N 2 1 322.452 3.289 20 0 DGADMP Cc1ccn2c(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)cnc2c1 ZINC001236457715 1099619732 /nfs/dbraw/zinc/61/97/32/1099619732.db2.gz NBUAYWCIWCFQLV-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP Cc1ccn2c(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)cnc2c1 ZINC001236457715 1099619738 /nfs/dbraw/zinc/61/97/38/1099619738.db2.gz NBUAYWCIWCFQLV-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP CC(C)(C)C[N@H+](Cc1c[nH]nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC001236458750 1099622220 /nfs/dbraw/zinc/62/22/20/1099622220.db2.gz XPHNOVXUUJZPSG-UHFFFAOYSA-N 2 1 306.498 3.307 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC001236458750 1099622224 /nfs/dbraw/zinc/62/22/24/1099622224.db2.gz XPHNOVXUUJZPSG-UHFFFAOYSA-N 2 1 306.498 3.307 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458123 1099623663 /nfs/dbraw/zinc/62/36/63/1099623663.db2.gz VBYXMGQFUFAFIP-UHFFFAOYSA-N 2 1 319.493 3.469 20 0 DGADMP CC(C)Oc1ncccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458123 1099623670 /nfs/dbraw/zinc/62/36/70/1099623670.db2.gz VBYXMGQFUFAFIP-UHFFFAOYSA-N 2 1 319.493 3.469 20 0 DGADMP COc1cccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236540186 1099671022 /nfs/dbraw/zinc/67/10/22/1099671022.db2.gz KMEOCGQTJCXFJB-QAQDUYKDSA-N 2 1 317.477 3.149 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)OCO3)CC2CCC2)CC1 ZINC001236540691 1099672576 /nfs/dbraw/zinc/67/25/76/1099672576.db2.gz JUWZDBXEDJLVMT-QAQDUYKDSA-N 2 1 316.445 3.287 20 0 DGADMP COc1cccc(C)c1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551400 1099677454 /nfs/dbraw/zinc/67/74/54/1099677454.db2.gz CKPBXVMTLJQIAV-QAQDUYKDSA-N 2 1 302.462 3.486 20 0 DGADMP Cc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554758 1099677610 /nfs/dbraw/zinc/67/76/10/1099677610.db2.gz UPDQBHMDIPWELA-IHPCNDPISA-N 2 1 315.505 3.067 20 0 DGADMP COc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001236554215 1099677776 /nfs/dbraw/zinc/67/77/76/1099677776.db2.gz XEMIIXZBPZORMM-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP CNc1ccc(C[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236565104 1099680748 /nfs/dbraw/zinc/68/07/48/1099680748.db2.gz ZPBYVXYRNGJXTR-KESTWPANSA-N 2 1 324.472 3.395 20 0 DGADMP Nc1cccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236566088 1099681021 /nfs/dbraw/zinc/68/10/21/1099681021.db2.gz QHUDEEHEPLPUAZ-CZIWCDLHSA-N 2 1 302.466 3.068 20 0 DGADMP Nc1cnccc1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236568332 1099682327 /nfs/dbraw/zinc/68/23/27/1099682327.db2.gz VSMVQJLGYVBJIP-JCNLHEQBSA-N 2 1 302.466 3.068 20 0 DGADMP COc1cc(C)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(C)c1 ZINC001236599144 1099695372 /nfs/dbraw/zinc/69/53/72/1099695372.db2.gz RFWUXMPIMJGNFW-INIZCTEOSA-N 2 1 302.462 3.276 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236602200 1099697741 /nfs/dbraw/zinc/69/77/41/1099697741.db2.gz VXQZWVKDAKEGDQ-MRXNPFEDSA-N 2 1 317.477 3.141 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236602200 1099697743 /nfs/dbraw/zinc/69/77/43/1099697743.db2.gz VXQZWVKDAKEGDQ-MRXNPFEDSA-N 2 1 317.477 3.141 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681869 1099741865 /nfs/dbraw/zinc/74/18/65/1099741865.db2.gz KVDCWXKPNVASSV-WGSAOQKQSA-N 3 1 317.521 3.346 20 0 DGADMP CN(C)CC(C)(C)C[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681869 1099741875 /nfs/dbraw/zinc/74/18/75/1099741875.db2.gz KVDCWXKPNVASSV-WGSAOQKQSA-N 2 1 317.521 3.346 20 0 DGADMP CN(C)CC(C)(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681869 1099741887 /nfs/dbraw/zinc/74/18/87/1099741887.db2.gz KVDCWXKPNVASSV-WGSAOQKQSA-N 2 1 317.521 3.346 20 0 DGADMP CCC1(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)COC1 ZINC001236741286 1099768510 /nfs/dbraw/zinc/76/85/10/1099768510.db2.gz DCHJDCVWOWTPTK-IYARVYRRSA-N 2 1 320.452 3.324 20 0 DGADMP COc1cccc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236779335 1099781473 /nfs/dbraw/zinc/78/14/73/1099781473.db2.gz HURDZDLCQAMVRW-WKILWMFISA-N 2 1 319.493 3.395 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236827486 1099812393 /nfs/dbraw/zinc/81/23/93/1099812393.db2.gz GFFOPBCYQBGSHF-RCBQFDQVSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)c1OC(C)C ZINC001236829921 1099815848 /nfs/dbraw/zinc/81/58/48/1099815848.db2.gz LRHAQNDXNSVTQK-KSZLIROESA-N 2 1 302.462 3.260 20 0 DGADMP CCC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CC[NH2+]C1 ZINC001236835933 1099824052 /nfs/dbraw/zinc/82/40/52/1099824052.db2.gz QWLMPBQKVCSECP-HNNXBMFYSA-N 2 1 305.466 3.080 20 0 DGADMP CCC[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CC[NH2+]C1 ZINC001236835933 1099824063 /nfs/dbraw/zinc/82/40/63/1099824063.db2.gz QWLMPBQKVCSECP-HNNXBMFYSA-N 2 1 305.466 3.080 20 0 DGADMP CCC[N@H+](Cc1cc(F)c(OC)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236841920 1099825461 /nfs/dbraw/zinc/82/54/61/1099825461.db2.gz AWZACYVWWRUXFD-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1[nH]nc2cc(Cl)ccc21)C[C@@H]1CC[NH2+]C1 ZINC001236845108 1099829246 /nfs/dbraw/zinc/82/92/46/1099829246.db2.gz YRXFQXQIJJKZTM-GFCCVEGCSA-N 2 1 306.841 3.038 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC001236846467 1099831946 /nfs/dbraw/zinc/83/19/46/1099831946.db2.gz DOYQXVWMFUJQDO-KRWDZBQOSA-N 2 1 304.434 3.129 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3nc4ccccc4cc3Cl)C2)CC1 ZINC001236877933 1099848449 /nfs/dbraw/zinc/84/84/49/1099848449.db2.gz SFJHVLKLZCBAFS-UHFFFAOYSA-N 2 1 315.848 3.416 20 0 DGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236887240 1099849345 /nfs/dbraw/zinc/84/93/45/1099849345.db2.gz MPTNTZCIRPASSN-UHFFFAOYSA-N 2 1 309.457 3.070 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC001236887811 1099854267 /nfs/dbraw/zinc/85/42/67/1099854267.db2.gz QJKUGNAFBAZXND-QZTJIDSGSA-N 2 1 315.505 3.306 20 0 DGADMP OC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001236912984 1099873568 /nfs/dbraw/zinc/87/35/68/1099873568.db2.gz FXSBCGHTOPDKHM-AWEZNQCLSA-N 2 1 319.836 3.120 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@]1(C)O ZINC001236913005 1099873858 /nfs/dbraw/zinc/87/38/58/1099873858.db2.gz GMFMKFLHLTWVDM-GUYCJALGSA-N 2 1 319.836 3.119 20 0 DGADMP CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236920529 1099877524 /nfs/dbraw/zinc/87/75/24/1099877524.db2.gz VDELJWPBGZXEEW-OAHLLOKOSA-N 2 1 305.809 3.137 20 0 DGADMP CCO[C@@H]1CCN(Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236920529 1099877530 /nfs/dbraw/zinc/87/75/30/1099877530.db2.gz VDELJWPBGZXEEW-OAHLLOKOSA-N 2 1 305.809 3.137 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)c1 ZINC001236951056 1099889002 /nfs/dbraw/zinc/88/90/02/1099889002.db2.gz TVRPTJKYZIXSKK-SFHVURJKSA-N 2 1 318.436 3.059 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1cccc(C[NH3+])c1 ZINC001237000173 1099919078 /nfs/dbraw/zinc/91/90/78/1099919078.db2.gz QLFDBELQBXFRCY-QZTJIDSGSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH3+])c2)[C@H](C)CN1Cc1ccccc1 ZINC001237000173 1099919085 /nfs/dbraw/zinc/91/90/85/1099919085.db2.gz QLFDBELQBXFRCY-QZTJIDSGSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)[C@H](C)CN1Cc1ccccc1 ZINC001237000173 1099919093 /nfs/dbraw/zinc/91/90/93/1099919093.db2.gz QLFDBELQBXFRCY-QZTJIDSGSA-N 2 1 323.484 3.240 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2C[C@@H](N)c2ccccc2)cc1 ZINC001237045209 1099942479 /nfs/dbraw/zinc/94/24/79/1099942479.db2.gz ZASUCPUFZFQOIT-RTBURBONSA-N 2 1 324.424 3.310 20 0 DGADMP COC(=O)c1ccc([C@H]2CCCN2C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001237045209 1099942490 /nfs/dbraw/zinc/94/24/90/1099942490.db2.gz ZASUCPUFZFQOIT-RTBURBONSA-N 2 1 324.424 3.310 20 0 DGADMP C[C@@H](C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC001237143310 1099993768 /nfs/dbraw/zinc/99/37/68/1099993768.db2.gz DESOYDNKKHBPSM-LPHOPBHVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H](C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC001237143310 1099993775 /nfs/dbraw/zinc/99/37/75/1099993775.db2.gz DESOYDNKKHBPSM-LPHOPBHVSA-N 2 1 302.462 3.198 20 0 DGADMP C(CN1CCCC1)[NH2+][C@]12CC[C@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001278060415 1100013171 /nfs/dbraw/zinc/01/31/71/1100013171.db2.gz RTJKIQGMTJRTTC-MOPGFXCFSA-N 2 1 305.510 3.049 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001237187002 1100022682 /nfs/dbraw/zinc/02/26/82/1100022682.db2.gz BGCNLSBWRHPFGF-HXUWFJFHSA-N 2 1 316.464 3.495 20 0 DGADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237258016 1100049619 /nfs/dbraw/zinc/04/96/19/1100049619.db2.gz JRHVMLCDUCUJSD-GJZGRUSLSA-N 2 1 311.267 3.193 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1C ZINC001237390485 1100105790 /nfs/dbraw/zinc/10/57/90/1100105790.db2.gz IRUCJSJHTSVVDJ-WMZOPIPTSA-N 2 1 302.462 3.194 20 0 DGADMP c1cncc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237394834 1100108755 /nfs/dbraw/zinc/10/87/55/1100108755.db2.gz WKFBZYNFPGGMLR-WOJBJXKFSA-N 2 1 307.441 3.323 20 0 DGADMP c1cncc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237394832 1100108965 /nfs/dbraw/zinc/10/89/65/1100108965.db2.gz WKFBZYNFPGGMLR-UXHICEINSA-N 2 1 307.441 3.323 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237402406 1100110951 /nfs/dbraw/zinc/11/09/51/1100110951.db2.gz HQDZQIFPOGWJLB-AEFFLSMTSA-N 2 1 311.429 3.224 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237402406 1100110957 /nfs/dbraw/zinc/11/09/57/1100110957.db2.gz HQDZQIFPOGWJLB-AEFFLSMTSA-N 2 1 311.429 3.224 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545365 1100166684 /nfs/dbraw/zinc/16/66/84/1100166684.db2.gz BDRCSHWMNCDABO-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545365 1100166690 /nfs/dbraw/zinc/16/66/90/1100166690.db2.gz BDRCSHWMNCDABO-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545365 1100166695 /nfs/dbraw/zinc/16/66/95/1100166695.db2.gz BDRCSHWMNCDABO-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545365 1100166703 /nfs/dbraw/zinc/16/67/03/1100166703.db2.gz BDRCSHWMNCDABO-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545365 1100166710 /nfs/dbraw/zinc/16/67/10/1100166710.db2.gz BDRCSHWMNCDABO-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc21 ZINC001237876706 1100276389 /nfs/dbraw/zinc/27/63/89/1100276389.db2.gz HOHOAFMXYUCAFL-BQFCYCMXSA-N 2 1 300.421 3.478 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc21 ZINC001237876706 1100276394 /nfs/dbraw/zinc/27/63/94/1100276394.db2.gz HOHOAFMXYUCAFL-BQFCYCMXSA-N 2 1 300.421 3.478 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@](C)(O)[C@@H](C)C3)cc21 ZINC001237880981 1100279323 /nfs/dbraw/zinc/27/93/23/1100279323.db2.gz LWTWNPAOCCWXHY-MGPUTAFESA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@]4(CCOC4)C3)cc21 ZINC001237880729 1100280740 /nfs/dbraw/zinc/28/07/40/1100280740.db2.gz JTOIQUUBVWFGEM-FQEVSTJZSA-N 2 1 312.457 3.300 20 0 DGADMP Cc1nc(C)c(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH]1 ZINC001190884546 1100357689 /nfs/dbraw/zinc/35/76/89/1100357689.db2.gz XXIRNLIKXUUBJQ-UHFFFAOYSA-N 2 1 312.461 3.123 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117199 1100368540 /nfs/dbraw/zinc/36/85/40/1100368540.db2.gz XKXJSEJRIGVNLA-MRXNPFEDSA-N 2 1 307.397 3.332 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117199 1100368549 /nfs/dbraw/zinc/36/85/49/1100368549.db2.gz XKXJSEJRIGVNLA-MRXNPFEDSA-N 2 1 307.397 3.332 20 0 DGADMP C([C@@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1)[NH+]1CCCC1 ZINC001191119713 1100404646 /nfs/dbraw/zinc/40/46/46/1100404646.db2.gz ADUMDBNPOWHCRJ-ZWKOTPCHSA-N 2 1 306.494 3.001 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC(C)C)ccc3C)C[C@H]2C1 ZINC001238483941 1100455269 /nfs/dbraw/zinc/45/52/69/1100455269.db2.gz ZIGALXGXZOIJRX-QZTJIDSGSA-N 2 1 302.462 3.166 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@@H+]1C ZINC001191416159 1100462992 /nfs/dbraw/zinc/46/29/92/1100462992.db2.gz FKDCLTRRAXPKPK-DOTOQJQBSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@H+]1C ZINC001191416159 1100462994 /nfs/dbraw/zinc/46/29/94/1100462994.db2.gz FKDCLTRRAXPKPK-DOTOQJQBSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416159 1100462999 /nfs/dbraw/zinc/46/29/99/1100462999.db2.gz FKDCLTRRAXPKPK-DOTOQJQBSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416159 1100463002 /nfs/dbraw/zinc/46/30/02/1100463002.db2.gz FKDCLTRRAXPKPK-DOTOQJQBSA-N 2 1 304.554 3.146 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001191446144 1100469075 /nfs/dbraw/zinc/46/90/75/1100469075.db2.gz ZPFFDWGDJRGQTG-OALUTQOASA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001191446144 1100469078 /nfs/dbraw/zinc/46/90/78/1100469078.db2.gz ZPFFDWGDJRGQTG-OALUTQOASA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001191446144 1100469081 /nfs/dbraw/zinc/46/90/81/1100469081.db2.gz ZPFFDWGDJRGQTG-OALUTQOASA-N 2 1 320.521 3.390 20 0 DGADMP Cc1cnc(-c2ccccc2)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC001238624677 1100487117 /nfs/dbraw/zinc/48/71/17/1100487117.db2.gz KHTKRHFWTBDGNL-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC001238624677 1100487121 /nfs/dbraw/zinc/48/71/21/1100487121.db2.gz KHTKRHFWTBDGNL-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC001238624677 1100487125 /nfs/dbraw/zinc/48/71/25/1100487125.db2.gz KHTKRHFWTBDGNL-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205570782 1100517478 /nfs/dbraw/zinc/51/74/78/1100517478.db2.gz ORUHZRREHTXOAZ-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205590974 1100596036 /nfs/dbraw/zinc/59/60/36/1100596036.db2.gz AAOZTDLVIITNCF-KRWDZBQOSA-N 2 1 312.404 3.267 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205591045 1100597572 /nfs/dbraw/zinc/59/75/72/1100597572.db2.gz CAZHAIUXPMDZPV-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205591753 1100606387 /nfs/dbraw/zinc/60/63/87/1100606387.db2.gz OVEWZXBSWFRDDR-QGZVFWFLSA-N 2 1 312.404 3.266 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC001205604342 1100647518 /nfs/dbraw/zinc/64/75/18/1100647518.db2.gz VBNMSQUKDHIEEF-TZMCWYRMSA-N 2 1 311.267 3.256 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690405 1100652220 /nfs/dbraw/zinc/65/22/20/1100652220.db2.gz RKFFXXCWFKMSKQ-IAGOWNOFSA-N 2 1 312.885 3.329 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690405 1100652224 /nfs/dbraw/zinc/65/22/24/1100652224.db2.gz RKFFXXCWFKMSKQ-IAGOWNOFSA-N 2 1 312.885 3.329 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)CC[C@@H]1C[NH3+] ZINC001205618282 1100690275 /nfs/dbraw/zinc/69/02/75/1100690275.db2.gz UEBJHJQDAUJEPY-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)CC[C@H]1C[NH3+] ZINC001205618528 1100692127 /nfs/dbraw/zinc/69/21/27/1100692127.db2.gz WWOKUVSGINERKX-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2Cl)CC[C@H]1C[NH3+] ZINC001205637674 1100767368 /nfs/dbraw/zinc/76/73/68/1100767368.db2.gz IDVANCGROUHOJU-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC001240050317 1100846301 /nfs/dbraw/zinc/84/63/01/1100846301.db2.gz AIIDYXKZJVZCLB-UHFFFAOYSA-N 2 1 319.412 3.234 20 0 DGADMP C[C@@H]([NH3+])c1cccc(-c2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001240299039 1100932056 /nfs/dbraw/zinc/93/20/56/1100932056.db2.gz LJWJRSILMRBFKI-MRXNPFEDSA-N 2 1 309.457 3.121 20 0 DGADMP C[C@@H]([NH3+])c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC001240408471 1100981720 /nfs/dbraw/zinc/98/17/20/1100981720.db2.gz KYVYRIJQGKETCV-MRXNPFEDSA-N 2 1 309.457 3.121 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3ccc(C(C)(C)[NH3+])cc3)cc2)CC1 ZINC001240408632 1100983274 /nfs/dbraw/zinc/98/32/74/1100983274.db2.gz NWYBBKUWKMVRSJ-UHFFFAOYSA-N 2 1 323.484 3.295 20 0 DGADMP C[NH+]1CCN(C2(c3ccc(-c4ccccc4C[NH3+])cc3)CC2)CC1 ZINC001240588390 1101062539 /nfs/dbraw/zinc/06/25/39/1101062539.db2.gz OWBUUIKQKDGAGF-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP Cc1cc(C)c(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)c(C)[nH+]1 ZINC001240818243 1101148158 /nfs/dbraw/zinc/14/81/58/1101148158.db2.gz WYWFGOYFXJAROU-UHFFFAOYSA-N 2 1 321.424 3.247 20 0 DGADMP C[NH+]1CCN(c2ccc(-c3ccc4c(c3)CC[N@H+](C)C4)cc2)CC1 ZINC001240855379 1101159979 /nfs/dbraw/zinc/15/99/79/1101159979.db2.gz NDZVLRRJUFIANU-UHFFFAOYSA-N 2 1 321.468 3.093 20 0 DGADMP c1cc2c(c(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)c1)C[NH2+]C2 ZINC001240861447 1101162869 /nfs/dbraw/zinc/16/28/69/1101162869.db2.gz UQGVQSCLVYRWGM-UHFFFAOYSA-N 2 1 320.436 3.278 20 0 DGADMP CC(C)([NH3+])c1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001241818726 1101726568 /nfs/dbraw/zinc/72/65/68/1101726568.db2.gz ZCNGXZBVXQTEHK-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP c1ccc(-c2ccc(C[NH+]3CCC3)cc2)c(C[NH+]2CCOCC2)c1 ZINC001241993229 1101842463 /nfs/dbraw/zinc/84/24/63/1101842463.db2.gz GCIYEPOXEMYGPJ-UHFFFAOYSA-N 2 1 322.452 3.392 20 0 DGADMP CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001198431631 1101853565 /nfs/dbraw/zinc/85/35/65/1101853565.db2.gz ZHYOHOOUTCNVHX-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CCC[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001198431631 1101853582 /nfs/dbraw/zinc/85/35/82/1101853582.db2.gz ZHYOHOOUTCNVHX-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CC(C)Oc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242223439 1101994505 /nfs/dbraw/zinc/99/45/05/1101994505.db2.gz YFZRAGDCUIJCCS-UHFFFAOYSA-N 2 1 307.397 3.475 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001199841766 1102222783 /nfs/dbraw/zinc/22/27/83/1102222783.db2.gz CXFJBHLEYJGLSW-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001199841766 1102222789 /nfs/dbraw/zinc/22/27/89/1102222789.db2.gz CXFJBHLEYJGLSW-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP CCc1cc(OC)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242698553 1102292587 /nfs/dbraw/zinc/29/25/87/1102292587.db2.gz QJVWOBXMPICCRF-UHFFFAOYSA-N 2 1 307.397 3.259 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCc1ccccc1Br ZINC001205900968 1102399168 /nfs/dbraw/zinc/39/91/68/1102399168.db2.gz ACIMBESJWJNOKW-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccccc1Br ZINC001205900968 1102399181 /nfs/dbraw/zinc/39/91/81/1102399181.db2.gz ACIMBESJWJNOKW-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Br)c1 ZINC001205904404 1102449949 /nfs/dbraw/zinc/44/99/49/1102449949.db2.gz UVOSGZAOEQJMBG-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Br)c1 ZINC001205904404 1102449952 /nfs/dbraw/zinc/44/99/52/1102449952.db2.gz UVOSGZAOEQJMBG-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914517 1102525251 /nfs/dbraw/zinc/52/52/51/1102525251.db2.gz MUMIWQHMKAORJZ-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914517 1102525258 /nfs/dbraw/zinc/52/52/58/1102525258.db2.gz MUMIWQHMKAORJZ-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CC=CCC1)[C@H]2C ZINC001201412824 1102583319 /nfs/dbraw/zinc/58/33/19/1102583319.db2.gz ZEEKYQWARLZGSZ-DLBZAZTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CC=CCC1)[C@H]2C ZINC001201412824 1102583324 /nfs/dbraw/zinc/58/33/24/1102583324.db2.gz ZEEKYQWARLZGSZ-DLBZAZTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1CC=CCC1)[C@H]2C ZINC001201412824 1102583325 /nfs/dbraw/zinc/58/33/25/1102583325.db2.gz ZEEKYQWARLZGSZ-DLBZAZTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1CC=CCC1)[C@H]2C ZINC001201412824 1102583331 /nfs/dbraw/zinc/58/33/31/1102583331.db2.gz ZEEKYQWARLZGSZ-DLBZAZTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)=CCC[C@H](C)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201488128 1102610751 /nfs/dbraw/zinc/61/07/51/1102610751.db2.gz VWICYMHOWXCVPZ-INIZCTEOSA-N 2 1 307.482 3.499 20 0 DGADMP CC[NH+](CC)Cc1ccccc1-c1ccc(-n2cc[nH+]c2C)nn1 ZINC001243340669 1102671644 /nfs/dbraw/zinc/67/16/44/1102671644.db2.gz VQBNYYRUENUTDP-UHFFFAOYSA-N 2 1 321.428 3.480 20 0 DGADMP CSCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201696228 1102692777 /nfs/dbraw/zinc/69/27/77/1102692777.db2.gz ISXMHXRFYCSOEI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201696228 1102692778 /nfs/dbraw/zinc/69/27/78/1102692778.db2.gz ISXMHXRFYCSOEI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201696228 1102692780 /nfs/dbraw/zinc/69/27/80/1102692780.db2.gz ISXMHXRFYCSOEI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC001201918344 1102760293 /nfs/dbraw/zinc/76/02/93/1102760293.db2.gz JONYOBXKQZWSRW-IBGZPJMESA-N 2 1 314.473 3.152 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC001201918345 1102761034 /nfs/dbraw/zinc/76/10/34/1102761034.db2.gz JONYOBXKQZWSRW-LJQANCHMSA-N 2 1 314.473 3.152 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001201946436 1102766949 /nfs/dbraw/zinc/76/69/49/1102766949.db2.gz CKWPLFRLGRCHPG-KBPBESRZSA-N 2 1 307.507 3.448 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001201946436 1102766958 /nfs/dbraw/zinc/76/69/58/1102766958.db2.gz CKWPLFRLGRCHPG-KBPBESRZSA-N 2 1 307.507 3.448 20 0 DGADMP COc1cc(C)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(C)n1 ZINC001201962770 1102773683 /nfs/dbraw/zinc/77/36/83/1102773683.db2.gz ILOXFUDTPJGAMR-HNNXBMFYSA-N 2 1 305.466 3.061 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001202065823 1102808118 /nfs/dbraw/zinc/80/81/18/1102808118.db2.gz WHBTWTAJIIEJEE-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001202079377 1102821912 /nfs/dbraw/zinc/82/19/12/1102821912.db2.gz YCOBNRHFABJLLX-QZTJIDSGSA-N 2 1 308.510 3.245 20 0 DGADMP OC1C[NH+](Cc2ccc(-c3ccccc3C[NH+]3CCCC3)cc2)C1 ZINC001243638544 1102872808 /nfs/dbraw/zinc/87/28/08/1102872808.db2.gz NQRJPYFYPJANRJ-UHFFFAOYSA-N 2 1 322.452 3.126 20 0 DGADMP C[NH+]1CCN(c2cccc(-c3ccc4c(c3)CC[N@H+](C)C4)c2)CC1 ZINC001243671636 1102908647 /nfs/dbraw/zinc/90/86/47/1102908647.db2.gz UQAIDLLNVAMSRE-UHFFFAOYSA-N 2 1 321.468 3.093 20 0 DGADMP FC(F)(F)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202424445 1102980367 /nfs/dbraw/zinc/98/03/67/1102980367.db2.gz HKPZCKGUYBJJSJ-IYBDPMFKSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202424445 1102980370 /nfs/dbraw/zinc/98/03/70/1102980370.db2.gz HKPZCKGUYBJJSJ-IYBDPMFKSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202424445 1102980374 /nfs/dbraw/zinc/98/03/74/1102980374.db2.gz HKPZCKGUYBJJSJ-IYBDPMFKSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202424445 1102980379 /nfs/dbraw/zinc/98/03/79/1102980379.db2.gz HKPZCKGUYBJJSJ-IYBDPMFKSA-N 2 1 312.379 3.393 20 0 DGADMP CCC[NH+](CCC)CCN1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202433536 1103005080 /nfs/dbraw/zinc/00/50/80/1103005080.db2.gz RMHKWOSGIRNEGZ-UHFFFAOYSA-N 2 1 323.447 3.069 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCN(C)c2ccccc2)CC1 ZINC001326007448 1103180993 /nfs/dbraw/zinc/18/09/93/1103180993.db2.gz XZXYIQUHOSUKNH-UHFFFAOYSA-N 2 1 303.494 3.319 20 0 DGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307659 1103201503 /nfs/dbraw/zinc/20/15/03/1103201503.db2.gz PRCZNWXCILKYHS-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111307659 1103201511 /nfs/dbraw/zinc/20/15/11/1103201511.db2.gz PRCZNWXCILKYHS-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111307659 1103201518 /nfs/dbraw/zinc/20/15/18/1103201518.db2.gz PRCZNWXCILKYHS-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001489098128 1103267376 /nfs/dbraw/zinc/26/73/76/1103267376.db2.gz AWHPSCQJJPMAGQ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCc1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001326392102 1103298386 /nfs/dbraw/zinc/29/83/86/1103298386.db2.gz USJUAHDFLDEMOJ-UHFFFAOYSA-N 2 1 307.507 3.451 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001327005539 1103499835 /nfs/dbraw/zinc/49/98/35/1103499835.db2.gz RAJUSKMZDRMSOJ-UHFFFAOYSA-N 2 1 316.474 3.104 20 0 DGADMP CCOc1ccc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001244870323 1103735664 /nfs/dbraw/zinc/73/56/64/1103735664.db2.gz KAOHLOGNZGTBNL-UHFFFAOYSA-N 2 1 307.397 3.395 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC001327840243 1103739137 /nfs/dbraw/zinc/73/91/37/1103739137.db2.gz NEGMXCPOAWBAKM-SCZZXKLOSA-N 2 1 303.269 3.086 20 0 DGADMP Fc1ccc(Cl)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001245131099 1103874282 /nfs/dbraw/zinc/87/42/82/1103874282.db2.gz NEEDSOLPPZIBKZ-UHFFFAOYSA-N 2 1 301.752 3.481 20 0 DGADMP c1coc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)c1 ZINC001328607249 1103997369 /nfs/dbraw/zinc/99/73/69/1103997369.db2.gz XZHSFFTUNWMLKE-UHFFFAOYSA-N 2 1 317.458 3.369 20 0 DGADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157183 1104173184 /nfs/dbraw/zinc/17/31/84/1104173184.db2.gz VMITUHZMHOBVCD-SQNIBIBYSA-N 2 1 319.468 3.033 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001329433414 1104264419 /nfs/dbraw/zinc/26/44/19/1104264419.db2.gz NQHNWAGMKGCEKV-QZTJIDSGSA-N 2 1 313.489 3.108 20 0 DGADMP CC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001329571953 1104324152 /nfs/dbraw/zinc/32/41/52/1104324152.db2.gz JBAUQZWKAOWDIZ-JKCVZHOFSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001329571953 1104324162 /nfs/dbraw/zinc/32/41/62/1104324162.db2.gz JBAUQZWKAOWDIZ-JKCVZHOFSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001329571953 1104324170 /nfs/dbraw/zinc/32/41/70/1104324170.db2.gz JBAUQZWKAOWDIZ-JKCVZHOFSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[NH2+]1 ZINC001245981844 1104345730 /nfs/dbraw/zinc/34/57/30/1104345730.db2.gz NAMPKPWDRRHSED-FUHWJXTLSA-N 2 1 324.896 3.001 20 0 DGADMP C[C@@](O)(C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)c1ccccc1 ZINC001246049896 1104358276 /nfs/dbraw/zinc/35/82/76/1104358276.db2.gz CZZAKWMMGLAANI-FXAWDEMLSA-N 2 1 316.489 3.138 20 0 DGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246041129 1104358469 /nfs/dbraw/zinc/35/84/69/1104358469.db2.gz XPGWVJVYBOVPBU-PCCBWWKXSA-N 2 1 324.468 3.063 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246055207 1104359481 /nfs/dbraw/zinc/35/94/81/1104359481.db2.gz LYZFBNGJIQEIIE-IBGZPJMESA-N 2 1 322.468 3.239 20 0 DGADMP CCCCC[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246060714 1104362963 /nfs/dbraw/zinc/36/29/63/1104362963.db2.gz GMZDGYPWWXUKTH-IBGZPJMESA-N 2 1 322.468 3.321 20 0 DGADMP CCCCC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246060714 1104362975 /nfs/dbraw/zinc/36/29/75/1104362975.db2.gz GMZDGYPWWXUKTH-IBGZPJMESA-N 2 1 322.468 3.321 20 0 DGADMP Cc1ccccc1C[N@@H+](C[C@@H](O)C(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071461 1104364967 /nfs/dbraw/zinc/36/49/67/1104364967.db2.gz SDVDNNRIUHRDNV-GUDVDZBRSA-N 2 1 318.505 3.474 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073560 1104366548 /nfs/dbraw/zinc/36/65/48/1104366548.db2.gz GZCPMAVHLVGNCM-QRVBRYPASA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073560 1104366559 /nfs/dbraw/zinc/36/65/59/1104366559.db2.gz GZCPMAVHLVGNCM-QRVBRYPASA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246073906 1104367121 /nfs/dbraw/zinc/36/71/21/1104367121.db2.gz LNZNJALTRAFJQF-MUJYYYPQSA-N 2 1 306.450 3.103 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246076287 1104372528 /nfs/dbraw/zinc/37/25/28/1104372528.db2.gz MGSQOMNPUCASNE-WNHJNPCNSA-N 2 1 302.462 3.245 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246080845 1104374554 /nfs/dbraw/zinc/37/45/54/1104374554.db2.gz PEYMJVPHPUFHPY-VQTJNVASSA-N 2 1 317.521 3.239 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(Br)c3C2)C[NH2+]1 ZINC001246081495 1104376362 /nfs/dbraw/zinc/37/63/62/1104376362.db2.gz SSHUOVXHIGFRQT-UBHSHLNASA-N 2 1 323.278 3.037 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246094363 1104382811 /nfs/dbraw/zinc/38/28/11/1104382811.db2.gz FETIUFKVZIRODO-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP C[NH+]1C(C)(C)CC(NCc2ccc3c(c2)CC[NH2+]C3)CC1(C)C ZINC001246106256 1104389082 /nfs/dbraw/zinc/38/90/82/1104389082.db2.gz DELFUOBIAKEYHU-UHFFFAOYSA-N 2 1 315.505 3.073 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113844 1104392819 /nfs/dbraw/zinc/39/28/19/1104392819.db2.gz OBHDYDDIVNNERR-WBMJQRKESA-N 2 1 316.823 3.482 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@@H]1C[NH2+]CC13CC3)CC2 ZINC001246130725 1104400397 /nfs/dbraw/zinc/40/03/97/1104400397.db2.gz JLFZRXJDBOGZOV-SWLSCSKDSA-N 2 1 311.256 3.192 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246152762 1104408430 /nfs/dbraw/zinc/40/84/30/1104408430.db2.gz ZUAJHSVSNBDJMZ-HZMBPMFUSA-N 2 1 305.224 3.216 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159975 1104410217 /nfs/dbraw/zinc/41/02/17/1104410217.db2.gz LXWLVVSOUWZUCF-VAMGGRTRSA-N 2 1 316.489 3.289 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159968 1104410575 /nfs/dbraw/zinc/41/05/75/1104410575.db2.gz LXWLVVSOUWZUCF-SLFFLAALSA-N 2 1 316.489 3.289 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246158440 1104410657 /nfs/dbraw/zinc/41/06/57/1104410657.db2.gz JPNHKKUCHOWRGX-ZDUSSCGKSA-N 2 1 304.331 3.465 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246160648 1104411422 /nfs/dbraw/zinc/41/14/22/1104411422.db2.gz VGMJICREYHMSHE-NWDGAFQWSA-N 2 1 304.331 3.465 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC001246162633 1104411925 /nfs/dbraw/zinc/41/19/25/1104411925.db2.gz GVFOCJPOXCOMMK-CHWSQXEVSA-N 2 1 304.331 3.465 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246163215 1104412247 /nfs/dbraw/zinc/41/22/47/1104412247.db2.gz YBDYHRSDUOCLDQ-UXHICEINSA-N 2 1 317.521 3.061 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246163559 1104413040 /nfs/dbraw/zinc/41/30/40/1104413040.db2.gz ZHZZZRRFTZIHPP-RTBURBONSA-N 2 1 303.494 3.191 20 0 DGADMP CC1(C)C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246175225 1104421182 /nfs/dbraw/zinc/42/11/82/1104421182.db2.gz IQMOPEBOPWXNIW-GUDVDZBRSA-N 2 1 315.505 3.289 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246190243 1104430416 /nfs/dbraw/zinc/43/04/16/1104430416.db2.gz QIEAZPXVYKZEGL-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP [NH3+]CCCC[C@H]([NH2+]C1CCCCC1)C(=O)OCc1ccccc1 ZINC001246192177 1104431635 /nfs/dbraw/zinc/43/16/35/1104431635.db2.gz UFGUAHIRTMAMPC-SFHVURJKSA-N 2 1 318.461 3.150 20 0 DGADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955861 1104437820 /nfs/dbraw/zinc/43/78/20/1104437820.db2.gz CTJRZSBZMZYXSW-GUDVDZBRSA-N 2 1 319.468 3.035 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246218563 1104441758 /nfs/dbraw/zinc/44/17/58/1104441758.db2.gz BKLBSSCOAXDECM-DOMZBBRYSA-N 2 1 316.823 3.496 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC001246223086 1104445152 /nfs/dbraw/zinc/44/51/52/1104445152.db2.gz VCAVBQFZXVVINW-NEPJUHHUSA-N 2 1 320.330 3.345 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC001330027575 1104456647 /nfs/dbraw/zinc/45/66/47/1104456647.db2.gz QBLLLQKCKVPIOD-UHFFFAOYSA-N 2 1 322.456 3.380 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246257698 1104462925 /nfs/dbraw/zinc/46/29/25/1104462925.db2.gz IABPSMHYHOHVRU-LTIDMASMSA-N 2 1 310.869 3.272 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246266377 1104465278 /nfs/dbraw/zinc/46/52/78/1104465278.db2.gz KFWFXYKCJMJGJN-RHSMWYFYSA-N 2 1 318.461 3.466 20 0 DGADMP CCC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246269851 1104467770 /nfs/dbraw/zinc/46/77/70/1104467770.db2.gz LVUDVNGAGYKYOZ-ZDUSSCGKSA-N 2 1 313.283 3.359 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246273730 1104468615 /nfs/dbraw/zinc/46/86/15/1104468615.db2.gz UUUHXLMIBGWMQN-ULQDDVLXSA-N 2 1 310.869 3.274 20 0 DGADMP [NH3+]CC1([NH2+][C@@H]2CCc3cccc(Br)c3C2)CCCC1 ZINC001246278942 1104471031 /nfs/dbraw/zinc/47/10/31/1104471031.db2.gz KMMTYPGTYWQGHI-CYBMUJFWSA-N 2 1 323.278 3.168 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246279162 1104471109 /nfs/dbraw/zinc/47/11/09/1104471109.db2.gz KUJHUMJWQLBKOE-GFCCVEGCSA-N 2 1 311.267 3.241 20 0 DGADMP CCOC(=O)[C@@H](CC1CCC1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246286435 1104474146 /nfs/dbraw/zinc/47/41/46/1104474146.db2.gz MANGRRLSJROJES-TVRKMHQQSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001246307946 1104482333 /nfs/dbraw/zinc/48/23/33/1104482333.db2.gz HWMOXKCZDYZVCZ-ZSXPZZPQSA-N 3 1 321.553 3.286 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)CN1 ZINC001246316383 1104485641 /nfs/dbraw/zinc/48/56/41/1104485641.db2.gz NJTFACJXYFDHGD-GXFFZTMASA-N 2 1 304.331 3.117 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC001246316383 1104485646 /nfs/dbraw/zinc/48/56/46/1104485646.db2.gz NJTFACJXYFDHGD-GXFFZTMASA-N 2 1 304.331 3.117 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C[NH2+]1 ZINC001246327020 1104491453 /nfs/dbraw/zinc/49/14/53/1104491453.db2.gz YBHDRYBLLVWZTL-SWLSCSKDSA-N 2 1 323.278 3.211 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)c1 ZINC001246343978 1104499106 /nfs/dbraw/zinc/49/91/06/1104499106.db2.gz FEMUPOJFUHULGY-FICVDOATSA-N 2 1 324.490 3.324 20 0 DGADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246349763 1104502254 /nfs/dbraw/zinc/50/22/54/1104502254.db2.gz CCADBIHCPJULRD-MBOZVWFJSA-N 2 1 307.441 3.106 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC001246353192 1104503794 /nfs/dbraw/zinc/50/37/94/1104503794.db2.gz YEGKLRPLOQUCJP-NOXHYTERSA-N 2 1 311.256 3.333 20 0 DGADMP CC[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246360065 1104507269 /nfs/dbraw/zinc/50/72/69/1104507269.db2.gz IGGJLMHRHOYBMN-XDNAFOTISA-N 2 1 307.526 3.292 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246359982 1104507465 /nfs/dbraw/zinc/50/74/65/1104507465.db2.gz DUNCMNLKOLLPOB-KRWDZBQOSA-N 3 1 307.526 3.151 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246359982 1104507470 /nfs/dbraw/zinc/50/74/70/1104507470.db2.gz DUNCMNLKOLLPOB-KRWDZBQOSA-N 3 1 307.526 3.151 20 0 DGADMP CCCC[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246359819 1104508472 /nfs/dbraw/zinc/50/84/72/1104508472.db2.gz CYQBGJVWQXTORH-QRVBRYPASA-N 2 1 307.526 3.151 20 0 DGADMP CC[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246363203 1104509684 /nfs/dbraw/zinc/50/96/84/1104509684.db2.gz QTLDIBOWLGYSDZ-RDGPPVDQSA-N 2 1 307.526 3.150 20 0 DGADMP CC[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246363205 1104510360 /nfs/dbraw/zinc/51/03/60/1104510360.db2.gz QTLDIBOWLGYSDZ-ZSYWTGECSA-N 2 1 307.526 3.150 20 0 DGADMP COc1cccc(C2([NH2+][C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c1 ZINC001246365438 1104510758 /nfs/dbraw/zinc/51/07/58/1104510758.db2.gz ZTMRSQWPKJCAOB-RDJZCZTQSA-N 2 1 302.462 3.441 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccn3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246366958 1104511341 /nfs/dbraw/zinc/51/13/41/1104511341.db2.gz LFXWTJDGWACRNM-GDBMZVCRSA-N 2 1 323.431 3.302 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3OC)CC[NH2+]CC2)C1 ZINC001246378829 1104515301 /nfs/dbraw/zinc/51/53/01/1104515301.db2.gz ZBRZPHUMASMLDY-HZPDHXFCSA-N 2 1 302.462 3.442 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3cc(C(F)(F)F)ccc32)CC[NH2+]1 ZINC001246410442 1104531730 /nfs/dbraw/zinc/53/17/30/1104531730.db2.gz JPXIUZYESSLXKZ-OSMZGAPFSA-N 2 1 314.351 3.259 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001246413100 1104533106 /nfs/dbraw/zinc/53/31/06/1104533106.db2.gz FWQBCTULRCSAQA-HUUCEWRRSA-N 2 1 324.509 3.255 20 0 DGADMP C[N@H+]1CCC2(CN(CCCCCOCc3ccccc3)C2)C1 ZINC001274884969 1104534746 /nfs/dbraw/zinc/53/47/46/1104534746.db2.gz YXXXPUSHRRIHAG-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP CN1CCC2(C[NH+](CCCCCOCc3ccccc3)C2)C1 ZINC001274884969 1104534755 /nfs/dbraw/zinc/53/47/55/1104534755.db2.gz YXXXPUSHRRIHAG-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP CC1(C)[C@@H]2C[C@H]([NH2+]C3(c4ccccc4F)CC[NH2+]CC3)C[C@@H]21 ZINC001246427173 1104535637 /nfs/dbraw/zinc/53/56/37/1104535637.db2.gz CJRRPIMEDPJERA-RBVVOMGSSA-N 2 1 302.437 3.429 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274891257 1104535698 /nfs/dbraw/zinc/53/56/98/1104535698.db2.gz ZPOOFBXKTJPHHL-FQEVSTJZSA-N 2 1 316.489 3.436 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001274891257 1104535703 /nfs/dbraw/zinc/53/57/03/1104535703.db2.gz ZPOOFBXKTJPHHL-FQEVSTJZSA-N 2 1 316.489 3.436 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001274891257 1104535711 /nfs/dbraw/zinc/53/57/11/1104535711.db2.gz ZPOOFBXKTJPHHL-FQEVSTJZSA-N 2 1 316.489 3.436 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001330313321 1104536989 /nfs/dbraw/zinc/53/69/89/1104536989.db2.gz BKDRWSDSPWIGHT-IYBDPMFKSA-N 2 1 315.461 3.094 20 0 DGADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCCNC2)cc1 ZINC001246447518 1104543886 /nfs/dbraw/zinc/54/38/86/1104543886.db2.gz REOJEJGWKYKFEP-UFYCRDLUSA-N 2 1 315.505 3.209 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCCNC2)cc1 ZINC001246447518 1104543893 /nfs/dbraw/zinc/54/38/93/1104543893.db2.gz REOJEJGWKYKFEP-UFYCRDLUSA-N 2 1 315.505 3.209 20 0 DGADMP CCC[C@@]1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC[NH2+]1 ZINC001246456877 1104546046 /nfs/dbraw/zinc/54/60/46/1104546046.db2.gz PBKYASXKDXSQII-PXAZEXFGSA-N 2 1 312.379 3.083 20 0 DGADMP CC(C)[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246461325 1104550115 /nfs/dbraw/zinc/55/01/15/1104550115.db2.gz OXXJIDRQGXPZME-SFHVURJKSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCCCC2)C[NH2+]1 ZINC001246476551 1104559475 /nfs/dbraw/zinc/55/94/75/1104559475.db2.gz XMQUCCQRXWSUAV-LSDHHAIUSA-N 2 1 310.482 3.009 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246490975 1104563020 /nfs/dbraw/zinc/56/30/20/1104563020.db2.gz RGJIQFXGVAWGFQ-OCCSQVGLSA-N 2 1 316.823 3.496 20 0 DGADMP COCCCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274986561 1104567816 /nfs/dbraw/zinc/56/78/16/1104567816.db2.gz IMJSEJJCEHANRZ-UHFFFAOYSA-N 2 1 319.493 3.119 20 0 DGADMP CCCCC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246506094 1104570372 /nfs/dbraw/zinc/57/03/72/1104570372.db2.gz UUENFZJPUDYWMS-GJZGRUSLSA-N 2 1 300.487 3.384 20 0 DGADMP [NH3+]C[C@@H](NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001246508188 1104570686 /nfs/dbraw/zinc/57/06/86/1104570686.db2.gz RCCNEOMLSVNVJL-LJQANCHMSA-N 2 1 313.420 3.084 20 0 DGADMP Brc1ccc([C@@H]2C[C@H]2[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246513223 1104572380 /nfs/dbraw/zinc/57/23/80/1104572380.db2.gz HAOBZIHMONTYQU-SOUVJXGZSA-N 2 1 309.251 3.037 20 0 DGADMP FC(F)(F)c1ccc(OCCCCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC001246518178 1104574284 /nfs/dbraw/zinc/57/42/84/1104574284.db2.gz OKDWXHZHDFYUTL-CQSZACIVSA-N 2 1 316.367 3.206 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246520144 1104575794 /nfs/dbraw/zinc/57/57/94/1104575794.db2.gz RBBAHCQKUSJCGS-DZFIZOCASA-N 2 1 301.478 3.118 20 0 DGADMP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246520592 1104576377 /nfs/dbraw/zinc/57/63/77/1104576377.db2.gz SVBGJLUMFCAJOH-RTWAWAEBSA-N 2 1 306.453 3.408 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](N)C2(CC2)C1 ZINC001246532847 1104579646 /nfs/dbraw/zinc/57/96/46/1104579646.db2.gz KVMMMJMMVLIZBM-UKRRQHHQSA-N 2 1 308.491 3.493 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)N1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532847 1104579651 /nfs/dbraw/zinc/57/96/51/1104579651.db2.gz KVMMMJMMVLIZBM-UKRRQHHQSA-N 2 1 308.491 3.493 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532847 1104579659 /nfs/dbraw/zinc/57/96/59/1104579659.db2.gz KVMMMJMMVLIZBM-UKRRQHHQSA-N 2 1 308.491 3.493 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532847 1104579666 /nfs/dbraw/zinc/57/96/66/1104579666.db2.gz KVMMMJMMVLIZBM-UKRRQHHQSA-N 2 1 308.491 3.493 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCO1 ZINC001246533365 1104580200 /nfs/dbraw/zinc/58/02/00/1104580200.db2.gz DAEGOLITJDENHE-VJFUWPCTSA-N 2 1 322.880 3.416 20 0 DGADMP CCCC[C@@H]1C[C@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246529023 1104580362 /nfs/dbraw/zinc/58/03/62/1104580362.db2.gz QACFGVMTQXHIPB-AQNXPRMDSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC001246530469 1104580438 /nfs/dbraw/zinc/58/04/38/1104580438.db2.gz YLIGPHIQRJQXBU-QYZOEREBSA-N 2 1 315.505 3.142 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001246535329 1104580993 /nfs/dbraw/zinc/58/09/93/1104580993.db2.gz XMXFKKUEHYOGDP-SCAQPMJSSA-N 2 1 321.896 3.299 20 0 DGADMP COc1ccc(F)c(CN2CCC3(CCC[N@@H+](C)C3)CC2)c1F ZINC001275023966 1104581613 /nfs/dbraw/zinc/58/16/13/1104581613.db2.gz JRBBGQYSNWEMOW-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1F ZINC001275023966 1104581621 /nfs/dbraw/zinc/58/16/21/1104581621.db2.gz JRBBGQYSNWEMOW-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1F ZINC001275023966 1104581625 /nfs/dbraw/zinc/58/16/25/1104581625.db2.gz JRBBGQYSNWEMOW-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C[C@H](CC)[NH2+]1 ZINC001246536964 1104582294 /nfs/dbraw/zinc/58/22/94/1104582294.db2.gz HRYXYQGEIJAMJA-REPLKXPHSA-N 2 1 315.505 3.426 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@H]([NH3+])CC1)CC2 ZINC001246538498 1104584051 /nfs/dbraw/zinc/58/40/51/1104584051.db2.gz CERJUDWBIDXLNP-STQMWFEESA-N 2 1 308.853 3.019 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C[C@H]1C[NH3+] ZINC001246540973 1104585639 /nfs/dbraw/zinc/58/56/39/1104585639.db2.gz LEMMRNISEAINCL-ZLKJLUDKSA-N 2 1 313.272 3.377 20 0 DGADMP c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001275040378 1104586517 /nfs/dbraw/zinc/58/65/17/1104586517.db2.gz JSROACGFHQMZNZ-KRWDZBQOSA-N 2 1 314.477 3.054 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@H]2CC1 ZINC001275040745 1104586612 /nfs/dbraw/zinc/58/66/12/1104586612.db2.gz RSQUIQHWNYFDMD-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cccc4)cc3)C[C@H]2CC1 ZINC001275040745 1104586620 /nfs/dbraw/zinc/58/66/20/1104586620.db2.gz RSQUIQHWNYFDMD-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(-n4cccc4)cc3)C[C@H]2CC1 ZINC001275040745 1104586631 /nfs/dbraw/zinc/58/66/31/1104586631.db2.gz RSQUIQHWNYFDMD-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001246545523 1104587862 /nfs/dbraw/zinc/58/78/62/1104587862.db2.gz BQMSRLZEOUSXPD-BZSNNMDCSA-N 2 1 306.425 3.060 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246549314 1104589636 /nfs/dbraw/zinc/58/96/36/1104589636.db2.gz JYYSNRSFTOHCLX-YWPYICTPSA-N 2 1 311.267 3.192 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)CC2 ZINC001246553012 1104590511 /nfs/dbraw/zinc/59/05/11/1104590511.db2.gz QMWJOTGBTOQGRN-SCLBCKFNSA-N 2 1 322.880 3.409 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549895 1104590944 /nfs/dbraw/zinc/59/09/44/1104590944.db2.gz ICRZIMZBNYEYQS-MSOLQXFVSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549895 1104590947 /nfs/dbraw/zinc/59/09/47/1104590947.db2.gz ICRZIMZBNYEYQS-MSOLQXFVSA-N 2 1 302.462 3.364 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1(F)F ZINC001246554985 1104593596 /nfs/dbraw/zinc/59/35/96/1104593596.db2.gz AGQPSUWDUDXMSN-HBNTYKKESA-N 2 1 300.315 3.023 20 0 DGADMP C[C@H]1C[N@H+](C2CCN(c3cccc(F)c3)CC2)CCC[C@@H]1C[NH3+] ZINC001246559527 1104595003 /nfs/dbraw/zinc/59/50/03/1104595003.db2.gz BBMHNDJYOHOLMK-JKSUJKDBSA-N 2 1 319.468 3.101 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](C2CCC(Oc3ccccc3)CC2)CCC1(F)F ZINC001246561373 1104595600 /nfs/dbraw/zinc/59/56/00/1104595600.db2.gz WUASQRNLCWZTFW-HPUBIQBYSA-N 2 1 324.415 3.293 20 0 DGADMP C[C@@H]1C[N@H+](C2CCN(c3cccc(F)c3)CC2)CCC[C@@H]1C[NH3+] ZINC001246559525 1104596528 /nfs/dbraw/zinc/59/65/28/1104596528.db2.gz BBMHNDJYOHOLMK-HZPDHXFCSA-N 2 1 319.468 3.101 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@@H](C[NH3+])[C@H]1C)CC2 ZINC001246564355 1104597604 /nfs/dbraw/zinc/59/76/04/1104597604.db2.gz NBJPLARERCOTDL-HZSPNIEDSA-N 2 1 322.880 3.265 20 0 DGADMP C[C@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)CCC[C@H]1C[NH3+] ZINC001246570750 1104599935 /nfs/dbraw/zinc/59/99/35/1104599935.db2.gz VECUQGLXZZVCPC-HOTGVXAUSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CCC[C@@H]1C[NH3+] ZINC001246567495 1104600141 /nfs/dbraw/zinc/60/01/41/1104600141.db2.gz LAZXHZCPGIOVNR-XJKCOSOUSA-N 2 1 308.416 3.129 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275061477 1104601146 /nfs/dbraw/zinc/60/11/46/1104601146.db2.gz HGSOIZJEJYSPDW-MRXNPFEDSA-N 2 1 304.482 3.134 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001246578555 1104604590 /nfs/dbraw/zinc/60/45/90/1104604590.db2.gz RZFOBIGPOWPCJS-LJQANCHMSA-N 2 1 319.468 3.245 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC001246582575 1104606322 /nfs/dbraw/zinc/60/63/22/1104606322.db2.gz NWBSGZIPOAHLLM-OAHLLOKOSA-N 2 1 321.896 3.370 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001246585143 1104606720 /nfs/dbraw/zinc/60/67/20/1104606720.db2.gz OMGCVFKTLUNEJB-QFBILLFUSA-N 2 1 304.478 3.467 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(OCc3ccccc3)CC2)CC[C@H]1F ZINC001246590672 1104608366 /nfs/dbraw/zinc/60/83/66/1104608366.db2.gz UZJUUEVTOXZQHE-CSODTCANSA-N 2 1 320.452 3.276 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)CC[C@H]1F ZINC001246590672 1104608369 /nfs/dbraw/zinc/60/83/69/1104608369.db2.gz UZJUUEVTOXZQHE-CSODTCANSA-N 2 1 320.452 3.276 20 0 DGADMP F[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCCC1(F)F ZINC001246591060 1104609558 /nfs/dbraw/zinc/60/95/58/1104609558.db2.gz VIQDAOAAZKBKAT-AWEZNQCLSA-N 2 1 304.400 3.368 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275074387 1104610488 /nfs/dbraw/zinc/61/04/88/1104610488.db2.gz RXCUWMGNODZWCR-RTBURBONSA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275074387 1104610492 /nfs/dbraw/zinc/61/04/92/1104610492.db2.gz RXCUWMGNODZWCR-RTBURBONSA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275074387 1104610496 /nfs/dbraw/zinc/61/04/96/1104610496.db2.gz RXCUWMGNODZWCR-RTBURBONSA-N 2 1 318.509 3.107 20 0 DGADMP CCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246593799 1104612843 /nfs/dbraw/zinc/61/28/43/1104612843.db2.gz ICEVPLKYNGEJJY-SCTDSRPQSA-N 2 1 324.509 3.210 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246597443 1104614329 /nfs/dbraw/zinc/61/43/29/1104614329.db2.gz WCKFSCDKSASYHX-QGZVFWFLSA-N 3 1 307.526 3.153 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001275077286 1104615446 /nfs/dbraw/zinc/61/54/46/1104615446.db2.gz QLMSADGYBJDLJV-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275077286 1104615449 /nfs/dbraw/zinc/61/54/49/1104615449.db2.gz QLMSADGYBJDLJV-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275077286 1104615454 /nfs/dbraw/zinc/61/54/54/1104615454.db2.gz QLMSADGYBJDLJV-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275077286 1104615457 /nfs/dbraw/zinc/61/54/57/1104615457.db2.gz QLMSADGYBJDLJV-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275077286 1104615460 /nfs/dbraw/zinc/61/54/60/1104615460.db2.gz QLMSADGYBJDLJV-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP C1CC2(C[C@H]1[N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246600101 1104615835 /nfs/dbraw/zinc/61/58/35/1104615835.db2.gz CUAZYEWFBUDMFY-AZUAARDMSA-N 3 1 319.537 3.155 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599252 1104616322 /nfs/dbraw/zinc/61/63/22/1104616322.db2.gz BQOGSJZQQFULHO-GBESFXJTSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599252 1104616329 /nfs/dbraw/zinc/61/63/29/1104616329.db2.gz BQOGSJZQQFULHO-GBESFXJTSA-N 3 1 307.526 3.009 20 0 DGADMP CC[N@H+]1Cc2ccccc2C2(CC[NH+](Cc3ccc[nH]3)CC2)C1 ZINC001275085235 1104616724 /nfs/dbraw/zinc/61/67/24/1104616724.db2.gz QFDQUNWODFFPDC-UHFFFAOYSA-N 2 1 309.457 3.384 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246601994 1104617646 /nfs/dbraw/zinc/61/76/46/1104617646.db2.gz AUTUFHXHMPAKMR-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246601891 1104618056 /nfs/dbraw/zinc/61/80/56/1104618056.db2.gz HQKZBFORYOGVGF-ACBHZAAOSA-N 3 1 307.526 3.105 20 0 DGADMP C[NH2+]CC1C[NH+]([C@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001246601449 1104618952 /nfs/dbraw/zinc/61/89/52/1104618952.db2.gz TZHDRRQKCYKIRB-LLVKDONJSA-N 2 1 301.261 3.466 20 0 DGADMP C1C[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246609141 1104623832 /nfs/dbraw/zinc/62/38/32/1104623832.db2.gz XMPJODQESBCZMF-HKUYNNGSSA-N 3 1 305.510 3.049 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609784 1104623843 /nfs/dbraw/zinc/62/38/43/1104623843.db2.gz NRJRNUDWUBTDGK-UGSOOPFHSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609784 1104623845 /nfs/dbraw/zinc/62/38/45/1104623845.db2.gz NRJRNUDWUBTDGK-UGSOOPFHSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607829 1104624225 /nfs/dbraw/zinc/62/42/25/1104624225.db2.gz FXLMVCSJUHJJDR-QFBILLFUSA-N 2 1 302.437 3.149 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246610850 1104626107 /nfs/dbraw/zinc/62/61/07/1104626107.db2.gz OFUMWYQSOZHCGX-INIZCTEOSA-N 2 1 320.427 3.430 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246611281 1104626888 /nfs/dbraw/zinc/62/68/88/1104626888.db2.gz OPCLKMDSDXXVGP-VQIMIIECSA-N 2 1 320.427 3.288 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610855 1104627027 /nfs/dbraw/zinc/62/70/27/1104627027.db2.gz OGNXXOUVZAQYRI-APWZRJJASA-N 2 1 302.437 3.149 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246615145 1104630111 /nfs/dbraw/zinc/63/01/11/1104630111.db2.gz QJKJGAZJPBLYEX-ACBHZAAOSA-N 3 1 307.526 3.248 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246615145 1104630113 /nfs/dbraw/zinc/63/01/13/1104630113.db2.gz QJKJGAZJPBLYEX-ACBHZAAOSA-N 2 1 307.526 3.248 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246621027 1104631642 /nfs/dbraw/zinc/63/16/42/1104631642.db2.gz CLWLPGRHHMGJFO-LVEJAMMSSA-N 2 1 313.489 3.437 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246624414 1104633130 /nfs/dbraw/zinc/63/31/30/1104633130.db2.gz DUXHNIAGLWMNDC-SOUVJXGZSA-N 2 1 308.466 3.238 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627826 1104634970 /nfs/dbraw/zinc/63/49/70/1104634970.db2.gz XRNBYPDLCFROEC-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627826 1104634975 /nfs/dbraw/zinc/63/49/75/1104634975.db2.gz XRNBYPDLCFROEC-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246636641 1104638167 /nfs/dbraw/zinc/63/81/67/1104638167.db2.gz DIBJQHLTNCDEJC-HNNXBMFYSA-N 2 1 304.865 3.273 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC001246634712 1104638526 /nfs/dbraw/zinc/63/85/26/1104638526.db2.gz HASKGMRMOQDPLV-DOTOQJQBSA-N 2 1 314.473 3.321 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CC2 ZINC001246632404 1104638909 /nfs/dbraw/zinc/63/89/09/1104638909.db2.gz XWFWXXCCIIAMSH-XHSDSOJGSA-N 2 1 304.865 3.129 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640589 1104640245 /nfs/dbraw/zinc/64/02/45/1104640245.db2.gz FIWMHDZFSUTLHJ-CYBMUJFWSA-N 2 1 312.379 3.464 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCCC13CC[NH2+]CC3)CC2 ZINC001246642111 1104641671 /nfs/dbraw/zinc/64/16/71/1104641671.db2.gz BIBJGMOSYLIEQY-HNNXBMFYSA-N 2 1 304.865 3.415 20 0 DGADMP c1[nH+]c(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)c2ccccn12 ZINC001275136865 1104641917 /nfs/dbraw/zinc/64/19/17/1104641917.db2.gz CHLZMOUOLTYYFJ-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246641210 1104641964 /nfs/dbraw/zinc/64/19/64/1104641964.db2.gz WMIGLSGFPHQHFO-KRWDZBQOSA-N 2 1 304.865 3.273 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246645552 1104644294 /nfs/dbraw/zinc/64/42/94/1104644294.db2.gz CTWDSYPUJKSZNP-MRXNPFEDSA-N 2 1 320.427 3.430 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246648121 1104645084 /nfs/dbraw/zinc/64/50/84/1104645084.db2.gz KXGWECMLGWPDFO-PMACEKPBSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648121 1104645086 /nfs/dbraw/zinc/64/50/86/1104645086.db2.gz KXGWECMLGWPDFO-PMACEKPBSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648121 1104645090 /nfs/dbraw/zinc/64/50/90/1104645090.db2.gz KXGWECMLGWPDFO-PMACEKPBSA-N 2 1 316.489 3.098 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246648194 1104645332 /nfs/dbraw/zinc/64/53/32/1104645332.db2.gz LCWYJUUDRWFFMQ-VQTJNVASSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648194 1104645336 /nfs/dbraw/zinc/64/53/36/1104645336.db2.gz LCWYJUUDRWFFMQ-VQTJNVASSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648194 1104645342 /nfs/dbraw/zinc/64/53/42/1104645342.db2.gz LCWYJUUDRWFFMQ-VQTJNVASSA-N 2 1 316.489 3.242 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647426 1104646009 /nfs/dbraw/zinc/64/60/09/1104646009.db2.gz SCAZMAHPPSXJCK-APWZRJJASA-N 2 1 316.489 3.480 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)CS2 ZINC001246649802 1104647034 /nfs/dbraw/zinc/64/70/34/1104647034.db2.gz FFQPGRZBZOUIJN-FUHWJXTLSA-N 2 1 302.487 3.312 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)CS2 ZINC001246649802 1104647036 /nfs/dbraw/zinc/64/70/36/1104647036.db2.gz FFQPGRZBZOUIJN-FUHWJXTLSA-N 2 1 302.487 3.312 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650513 1104647053 /nfs/dbraw/zinc/64/70/53/1104647053.db2.gz UEKFDPLMTDCVQR-CJNGLKHVSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650513 1104647056 /nfs/dbraw/zinc/64/70/56/1104647056.db2.gz UEKFDPLMTDCVQR-CJNGLKHVSA-N 2 1 312.379 3.464 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246650466 1104647065 /nfs/dbraw/zinc/64/70/65/1104647065.db2.gz INFCXZCGVIBQCW-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246650466 1104647068 /nfs/dbraw/zinc/64/70/68/1104647068.db2.gz INFCXZCGVIBQCW-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246650465 1104647852 /nfs/dbraw/zinc/64/78/52/1104647852.db2.gz INFCXZCGVIBQCW-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246650465 1104647856 /nfs/dbraw/zinc/64/78/56/1104647856.db2.gz INFCXZCGVIBQCW-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP CCCCCC[C@H](CCC)[N@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001246654705 1104649802 /nfs/dbraw/zinc/64/98/02/1104649802.db2.gz WPLNHPAFWJKAGC-PKOBYXMFSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@H](CCC)[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246654705 1104649803 /nfs/dbraw/zinc/64/98/03/1104649803.db2.gz WPLNHPAFWJKAGC-PKOBYXMFSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@H](CCC)[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246654705 1104649804 /nfs/dbraw/zinc/64/98/04/1104649804.db2.gz WPLNHPAFWJKAGC-PKOBYXMFSA-N 2 1 323.525 3.070 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C1CCN(c3ccccc3Cl)CC1)C2 ZINC001246661491 1104652466 /nfs/dbraw/zinc/65/24/66/1104652466.db2.gz FUSCDDGHJKNSFP-RDTXWAMCSA-N 2 1 319.880 3.122 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CC[NH2+]2 ZINC001246661077 1104653440 /nfs/dbraw/zinc/65/34/40/1104653440.db2.gz TXAFYRRPMXYCQP-MOPGFXCFSA-N 3 1 319.537 3.295 20 0 DGADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001275151484 1104653773 /nfs/dbraw/zinc/65/37/73/1104653773.db2.gz GRTCHGAROUEUBU-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+]([C@H]2CCCSC2)CC3)cc1 ZINC001246671081 1104655886 /nfs/dbraw/zinc/65/58/86/1104655886.db2.gz GOZUFDKGVOQHRL-GBESFXJTSA-N 2 1 316.514 3.135 20 0 DGADMP C1C[NH2+]C[C@@H]([C@H]2CCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246675981 1104657237 /nfs/dbraw/zinc/65/72/37/1104657237.db2.gz GFLOPYTTZZMFAM-ROUUACIJSA-N 3 1 319.537 3.010 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673349 1104657328 /nfs/dbraw/zinc/65/73/28/1104657328.db2.gz LVMNOUBSENDXFM-PWIZWCRZSA-N 2 1 310.441 3.432 20 0 DGADMP C[C@@H](Cc1ccco1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673349 1104657330 /nfs/dbraw/zinc/65/73/30/1104657330.db2.gz LVMNOUBSENDXFM-PWIZWCRZSA-N 2 1 310.441 3.432 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[NH2+]CC[C@H]31)C2 ZINC001246676063 1104657357 /nfs/dbraw/zinc/65/73/57/1104657357.db2.gz SBJKDXBHLWUZPR-DETPVDSQSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[NH2+]CC[C@H]31)C2 ZINC001246676063 1104657360 /nfs/dbraw/zinc/65/73/60/1104657360.db2.gz SBJKDXBHLWUZPR-DETPVDSQSA-N 2 1 311.256 3.144 20 0 DGADMP CCOCC[C@@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673246 1104657465 /nfs/dbraw/zinc/65/74/65/1104657465.db2.gz LHILZKPRJRFVSI-BHIYHBOVSA-N 2 1 302.462 3.023 20 0 DGADMP CCOCC[C@@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673246 1104657467 /nfs/dbraw/zinc/65/74/67/1104657467.db2.gz LHILZKPRJRFVSI-BHIYHBOVSA-N 2 1 302.462 3.023 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CC[NH2+]2 ZINC001246677138 1104658378 /nfs/dbraw/zinc/65/83/78/1104658378.db2.gz GRWDDCIZBZAWFT-GUDVDZBRSA-N 3 1 319.537 3.153 20 0 DGADMP C1C[NH2+]C[C@H]([C@H]2CCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)C1 ZINC001246679075 1104658856 /nfs/dbraw/zinc/65/88/56/1104658856.db2.gz RSBLSMUBNXOGNJ-ZMTPEHOPSA-N 3 1 319.537 3.010 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246678587 1104659027 /nfs/dbraw/zinc/65/90/27/1104659027.db2.gz OJWRQUWUWUYZGQ-HBFSDRIKSA-N 2 1 316.464 3.395 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@H](CC)C[C@H](C)CC)C[C@@H]1CC[NH2+]CC2 ZINC001246683856 1104659640 /nfs/dbraw/zinc/65/96/40/1104659640.db2.gz UXPDJNCJBNVQHU-NTDBWNAOSA-N 2 1 324.509 3.066 20 0 DGADMP Fc1cc2c(cc1F)CC([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246679625 1104660509 /nfs/dbraw/zinc/66/05/09/1104660509.db2.gz WVGGCBUDTPEHPL-UONOGXRCSA-N 2 1 320.427 3.144 20 0 DGADMP C[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246695248 1104663231 /nfs/dbraw/zinc/66/32/31/1104663231.db2.gz XXGKEJZAZAPENO-YQVWRLOYSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC[NH2+]1 ZINC001246715233 1104665671 /nfs/dbraw/zinc/66/56/71/1104665671.db2.gz QQHYWCYXIJQDSM-AFYVEPGGSA-N 2 1 314.473 3.166 20 0 DGADMP COc1ccccc1CC1CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246704722 1104665965 /nfs/dbraw/zinc/66/59/65/1104665965.db2.gz XHMBQVFXMCNRBF-GOSISDBHSA-N 2 1 302.462 3.092 20 0 DGADMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246770990 1104667559 /nfs/dbraw/zinc/66/75/59/1104667559.db2.gz URDYOHGXNILVJF-PMACEKPBSA-N 2 1 324.468 3.490 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246779033 1104668692 /nfs/dbraw/zinc/66/86/92/1104668692.db2.gz OVWZJPHWYOKZNE-LSDHHAIUSA-N 2 1 311.267 3.412 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246775502 1104668845 /nfs/dbraw/zinc/66/88/45/1104668845.db2.gz AQWKLEAYXQEFJL-KZNAEPCWSA-N 2 1 302.462 3.225 20 0 DGADMP CC[C@@H]1CC(N2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774414 1104669010 /nfs/dbraw/zinc/66/90/10/1104669010.db2.gz FARGNRQHPIZNRZ-GGPKGHCWSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1CC(N2CCN(C)[C@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774414 1104669014 /nfs/dbraw/zinc/66/90/14/1104669014.db2.gz FARGNRQHPIZNRZ-GGPKGHCWSA-N 2 1 315.505 3.284 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246779555 1104670546 /nfs/dbraw/zinc/67/05/46/1104670546.db2.gz LEIMTAMSZWIXLP-GPJFCIFZSA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246781443 1104670596 /nfs/dbraw/zinc/67/05/96/1104670596.db2.gz FIYUENGHIUYPMZ-NJAFHUGGSA-N 2 1 320.452 3.446 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246781624 1104670774 /nfs/dbraw/zinc/67/07/74/1104670774.db2.gz GEWPTIWXCXQVIO-LMMKCTJWSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](CCC(=O)OC)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246782441 1104671673 /nfs/dbraw/zinc/67/16/73/1104671673.db2.gz JVXZRKKDMWQIES-QLPKVWCKSA-N 2 1 310.482 3.103 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246782617 1104672025 /nfs/dbraw/zinc/67/20/25/1104672025.db2.gz RACGBGJTPSTOHZ-ZWKOTPCHSA-N 2 1 314.473 3.370 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246782491 1104672577 /nfs/dbraw/zinc/67/25/77/1104672577.db2.gz QGZFHAUPOHNDIG-GJYPPUQNSA-N 2 1 318.461 3.069 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246784663 1104673581 /nfs/dbraw/zinc/67/35/81/1104673581.db2.gz HNYVUJKBGZYDBG-QRQLOZEOSA-N 2 1 300.446 3.062 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1cccnc1 ZINC001275195355 1104674201 /nfs/dbraw/zinc/67/42/01/1104674201.db2.gz LUMKGSNAJSQYOF-YQQQUEKLSA-N 2 1 307.441 3.463 20 0 DGADMP CCCCCC[NH+]1CCN(C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246788412 1104675402 /nfs/dbraw/zinc/67/54/02/1104675402.db2.gz HEIRXVTZTUDUQC-UHFFFAOYSA-N 2 1 321.553 3.497 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC[NH2+]1 ZINC001246788589 1104676514 /nfs/dbraw/zinc/67/65/14/1104676514.db2.gz UIALCULMOPAVFZ-KZNAEPCWSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792923 1104678065 /nfs/dbraw/zinc/67/80/65/1104678065.db2.gz SITSKFQEJDOHLL-OTWHNJEPSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246792310 1104678277 /nfs/dbraw/zinc/67/82/77/1104678277.db2.gz USEFLZCETZNYSG-GVDBMIGSSA-N 2 1 324.509 3.351 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246793668 1104679340 /nfs/dbraw/zinc/67/93/40/1104679340.db2.gz WEXMOBWNZQFUAG-IOJLRTSASA-N 2 1 314.473 3.200 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246808210 1104684277 /nfs/dbraw/zinc/68/42/77/1104684277.db2.gz SNPKLQNNEQGNPQ-ONYGOOLBSA-N 2 1 318.486 3.068 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246808210 1104684280 /nfs/dbraw/zinc/68/42/80/1104684280.db2.gz SNPKLQNNEQGNPQ-ONYGOOLBSA-N 2 1 318.486 3.068 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CCc2cccc(OC)c2)CC[NH2+]1 ZINC001246813650 1104687318 /nfs/dbraw/zinc/68/73/18/1104687318.db2.gz LBRKNZCYCZEXOW-ROUUACIJSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246813338 1104687552 /nfs/dbraw/zinc/68/75/52/1104687552.db2.gz IIVFQOOAIRFHRP-NEPJUHHUSA-N 2 1 301.261 3.466 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246814783 1104688851 /nfs/dbraw/zinc/68/88/51/1104688851.db2.gz RZQWTOSFJAYGOA-IEBWSBKVSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246815651 1104689859 /nfs/dbraw/zinc/68/98/59/1104689859.db2.gz ZUHDIYMKGFOWCT-HKUYNNGSSA-N 2 1 302.462 3.092 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCNC[C@@H]1Cc1ccccc1 ZINC001246819101 1104690155 /nfs/dbraw/zinc/69/01/55/1104690155.db2.gz QTQBRVBRYRHPAD-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001246819101 1104690159 /nfs/dbraw/zinc/69/01/59/1104690159.db2.gz QTQBRVBRYRHPAD-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246824843 1104692957 /nfs/dbraw/zinc/69/29/57/1104692957.db2.gz QPZUTDNEADIAQI-WFASDCNBSA-N 2 1 322.399 3.000 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)[C@@H]1C ZINC001246835759 1104697603 /nfs/dbraw/zinc/69/76/03/1104697603.db2.gz UBMWQNQSHDBQHD-ZACQAIPSSA-N 2 1 322.493 3.105 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246839044 1104699143 /nfs/dbraw/zinc/69/91/43/1104699143.db2.gz HATAIQICOVKGNA-HNNXBMFYSA-N 2 1 323.278 3.413 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246838459 1104699657 /nfs/dbraw/zinc/69/96/57/1104699657.db2.gz CAJMTBKKMMSZQY-WBVHZDCISA-N 2 1 320.477 3.063 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246838553 1104699910 /nfs/dbraw/zinc/69/99/10/1104699910.db2.gz JEIZCYCNUWXVAE-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246840857 1104701236 /nfs/dbraw/zinc/70/12/36/1104701236.db2.gz RVOMNDUNBGNGKC-OAHLLOKOSA-N 2 1 323.278 3.413 20 0 DGADMP C1OCC1[N@H+](C1CC[NH2+]CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246844153 1104702539 /nfs/dbraw/zinc/70/25/39/1104702539.db2.gz HCWVWNZIJWDYDA-KRWDZBQOSA-N 2 1 306.494 3.332 20 0 DGADMP C1OCC1[N@@H+](C1CC[NH2+]CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246844153 1104702549 /nfs/dbraw/zinc/70/25/49/1104702549.db2.gz HCWVWNZIJWDYDA-KRWDZBQOSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246842103 1104703981 /nfs/dbraw/zinc/70/39/81/1104703981.db2.gz ARDXFNXECRJRFZ-KWCYVHTRSA-N 2 1 313.272 3.466 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845896 1104704981 /nfs/dbraw/zinc/70/49/81/1104704981.db2.gz MZSWGMGHJPANRT-LJQANCHMSA-N 2 1 316.489 3.241 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845896 1104704988 /nfs/dbraw/zinc/70/49/88/1104704988.db2.gz MZSWGMGHJPANRT-LJQANCHMSA-N 2 1 316.489 3.241 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc(Br)cc2C1 ZINC001246846600 1104705858 /nfs/dbraw/zinc/70/58/58/1104705858.db2.gz OYRLGKFOCJNWFR-HOTGVXAUSA-N 2 1 323.278 3.120 20 0 DGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246848001 1104706305 /nfs/dbraw/zinc/70/63/05/1104706305.db2.gz URCDOUCWLWOJHJ-BZUAXINKSA-N 2 1 312.523 3.097 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246848905 1104706536 /nfs/dbraw/zinc/70/65/36/1104706536.db2.gz CVUSRWAHESXTIX-IXEWLPCDSA-N 2 1 320.864 3.466 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850466 1104706763 /nfs/dbraw/zinc/70/67/63/1104706763.db2.gz KKGQPMTXJZCVTP-OKYOBFRVSA-N 2 1 321.553 3.492 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850466 1104706767 /nfs/dbraw/zinc/70/67/67/1104706767.db2.gz KKGQPMTXJZCVTP-OKYOBFRVSA-N 3 1 321.553 3.492 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850466 1104706774 /nfs/dbraw/zinc/70/67/74/1104706774.db2.gz KKGQPMTXJZCVTP-OKYOBFRVSA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850466 1104706781 /nfs/dbraw/zinc/70/67/81/1104706781.db2.gz KKGQPMTXJZCVTP-OKYOBFRVSA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850466 1104706785 /nfs/dbraw/zinc/70/67/85/1104706785.db2.gz KKGQPMTXJZCVTP-OKYOBFRVSA-N 3 1 321.553 3.492 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(Br)c1)CC2 ZINC001275290379 1104707161 /nfs/dbraw/zinc/70/71/61/1104707161.db2.gz ISTQLAJTLKSGEO-UHFFFAOYSA-N 2 1 323.278 3.367 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246849323 1104707474 /nfs/dbraw/zinc/70/74/74/1104707474.db2.gz ZRENQNUQBYUHCQ-BPLDGKMQSA-N 2 1 312.379 3.178 20 0 DGADMP c1ccc(C[C@@H]2C[C@@H]([NH+]3CC(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246851024 1104707579 /nfs/dbraw/zinc/70/75/79/1104707579.db2.gz XUBOOCZLOYOLDH-RTWAWAEBSA-N 2 1 306.453 3.449 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246862893 1104710382 /nfs/dbraw/zinc/71/03/82/1104710382.db2.gz SGUWSDYSQTZWJZ-XNRPHZJLSA-N 2 1 323.278 3.193 20 0 DGADMP Fc1cccc2c1CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246865549 1104712357 /nfs/dbraw/zinc/71/23/57/1104712357.db2.gz YKNQNFDKGJTUAO-UHFFFAOYSA-N 2 1 302.437 3.496 20 0 DGADMP CCOC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246866185 1104712783 /nfs/dbraw/zinc/71/27/83/1104712783.db2.gz AVIFJACHHJXITE-AEFFLSMTSA-N 2 1 322.493 3.107 20 0 DGADMP CCCCCC[C@@H](CCC)[NH+]1CCC([C@@H]([NH3+])C(=O)OC)CC1 ZINC001246866448 1104713273 /nfs/dbraw/zinc/71/32/73/1104713273.db2.gz CQUTWWMNFZDUEI-IAGOWNOFSA-N 2 1 312.498 3.338 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC001246871154 1104714283 /nfs/dbraw/zinc/71/42/83/1104714283.db2.gz OXDBEMJWPGSVKE-MAUKXSAKSA-N 2 1 302.462 3.090 20 0 DGADMP CCCCCC1CCC([NH+]2CCC([C@H]([NH3+])C(=O)OC)CC2)CC1 ZINC001246868918 1104714302 /nfs/dbraw/zinc/71/43/02/1104714302.db2.gz PPTKOIQMOJSADF-VJFUWPCTSA-N 2 1 324.509 3.338 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246873441 1104716745 /nfs/dbraw/zinc/71/67/45/1104716745.db2.gz GTTUXUVOKXOJMK-DLBZAZTESA-N 2 1 318.461 3.072 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246873441 1104716752 /nfs/dbraw/zinc/71/67/52/1104716752.db2.gz GTTUXUVOKXOJMK-DLBZAZTESA-N 2 1 318.461 3.072 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246873761 1104717229 /nfs/dbraw/zinc/71/72/29/1104717229.db2.gz ALFJEKSGNGMOAQ-QZTJIDSGSA-N 2 1 314.473 3.407 20 0 DGADMP CCC[N@H+]([C@H](C)CC[NH2+]C)[C@H](C)C(=O)Nc1ccccc1C ZINC001246879562 1104718047 /nfs/dbraw/zinc/71/80/47/1104718047.db2.gz BXCBYAMVPFKDJQ-HZPDHXFCSA-N 2 1 305.466 3.032 20 0 DGADMP CCC[N@@H+]([C@H](C)CC[NH2+]C)[C@H](C)C(=O)Nc1ccccc1C ZINC001246879562 1104718053 /nfs/dbraw/zinc/71/80/53/1104718053.db2.gz BXCBYAMVPFKDJQ-HZPDHXFCSA-N 2 1 305.466 3.032 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246881260 1104719687 /nfs/dbraw/zinc/71/96/87/1104719687.db2.gz LWQGDXIPZIOBCM-TWMKSMIVSA-N 2 1 324.509 3.492 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246881407 1104719863 /nfs/dbraw/zinc/71/98/63/1104719863.db2.gz CPQIIFCMNSYINF-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246880484 1104719995 /nfs/dbraw/zinc/71/99/95/1104719995.db2.gz FVYLUEARQKFSJA-QZTJIDSGSA-N 2 1 302.462 3.092 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246883052 1104720927 /nfs/dbraw/zinc/72/09/27/1104720927.db2.gz UDBLVFFAHMSNDG-FRQCXROJSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246883053 1104721063 /nfs/dbraw/zinc/72/10/63/1104721063.db2.gz UDBLVFFAHMSNDG-TXPKVOOTSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246882752 1104721138 /nfs/dbraw/zinc/72/11/38/1104721138.db2.gz NQDMOXAXAMUHSP-KAKFPZCNSA-N 2 1 314.473 3.233 20 0 DGADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001246882266 1104721149 /nfs/dbraw/zinc/72/11/49/1104721149.db2.gz YFZXONABGYBGEP-BWAGFHJFSA-N 2 1 320.480 3.399 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246885413 1104722809 /nfs/dbraw/zinc/72/28/09/1104722809.db2.gz FOQPCAXOFFRFCJ-ROUUACIJSA-N 2 1 318.505 3.426 20 0 DGADMP CCC[C@H]1CN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246904187 1104730426 /nfs/dbraw/zinc/73/04/26/1104730426.db2.gz SNEFBZFDFYYTEG-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904452 1104730807 /nfs/dbraw/zinc/73/08/07/1104730807.db2.gz GAHNVXCWFMTGPK-SJORKVTESA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904452 1104730814 /nfs/dbraw/zinc/73/08/14/1104730814.db2.gz GAHNVXCWFMTGPK-SJORKVTESA-N 2 1 302.462 3.364 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246906688 1104732048 /nfs/dbraw/zinc/73/20/48/1104732048.db2.gz RZKFIEFRZDHTJU-RBSFLKMASA-N 2 1 306.475 3.002 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908953 1104732308 /nfs/dbraw/zinc/73/23/08/1104732308.db2.gz HGHNDIRTBXGUDN-AEFFLSMTSA-N 3 1 319.468 3.001 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908953 1104732312 /nfs/dbraw/zinc/73/23/12/1104732312.db2.gz HGHNDIRTBXGUDN-AEFFLSMTSA-N 3 1 319.468 3.001 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908956 1104732755 /nfs/dbraw/zinc/73/27/55/1104732755.db2.gz HGHNDIRTBXGUDN-WMZOPIPTSA-N 3 1 319.468 3.001 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908956 1104732761 /nfs/dbraw/zinc/73/27/61/1104732761.db2.gz HGHNDIRTBXGUDN-WMZOPIPTSA-N 3 1 319.468 3.001 20 0 DGADMP CCOC(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CCC([NH2+]C)CC1 ZINC001246910260 1104734475 /nfs/dbraw/zinc/73/44/75/1104734475.db2.gz KEZAAPIZWXJTMY-FAEJEUNOSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)OCC[C@@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918306 1104736936 /nfs/dbraw/zinc/73/69/36/1104736936.db2.gz DVAROLYVANUITG-IEBWSBKVSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918306 1104736940 /nfs/dbraw/zinc/73/69/40/1104736940.db2.gz DVAROLYVANUITG-IEBWSBKVSA-N 2 1 304.478 3.444 20 0 DGADMP CC[C@@H]1CC(N(C)CC[N@@H+](C)Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246919161 1104737705 /nfs/dbraw/zinc/73/77/05/1104737705.db2.gz JELYYVQFLGQNSC-RTBURBONSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246920782 1104739003 /nfs/dbraw/zinc/73/90/03/1104739003.db2.gz JSYMEEABYXFNBB-IPMKNSEASA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246920782 1104739007 /nfs/dbraw/zinc/73/90/07/1104739007.db2.gz JSYMEEABYXFNBB-IPMKNSEASA-N 2 1 302.462 3.198 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246932233 1104741544 /nfs/dbraw/zinc/74/15/44/1104741544.db2.gz ZGIYAIDQULUGCZ-DLBZAZTESA-N 2 1 302.462 3.405 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246930388 1104741923 /nfs/dbraw/zinc/74/19/23/1104741923.db2.gz UZHDTIZVPYRAQH-KSZLIROESA-N 2 1 302.462 3.405 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933640 1104742464 /nfs/dbraw/zinc/74/24/64/1104742464.db2.gz HXZJRQDPEORDNG-IPMKNSEASA-N 2 1 320.452 3.337 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933640 1104742469 /nfs/dbraw/zinc/74/24/69/1104742469.db2.gz HXZJRQDPEORDNG-IPMKNSEASA-N 2 1 320.452 3.337 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938327 1104744728 /nfs/dbraw/zinc/74/47/28/1104744728.db2.gz PCOOEAPMOBNZPX-IAGOWNOFSA-N 2 1 324.509 3.351 20 0 DGADMP COCc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)s1 ZINC001275395819 1104746186 /nfs/dbraw/zinc/74/61/86/1104746186.db2.gz FWZCIUSHZNUHPI-KRWDZBQOSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)s1 ZINC001275395819 1104746192 /nfs/dbraw/zinc/74/61/92/1104746192.db2.gz FWZCIUSHZNUHPI-KRWDZBQOSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)s1 ZINC001275395819 1104746199 /nfs/dbraw/zinc/74/61/99/1104746199.db2.gz FWZCIUSHZNUHPI-KRWDZBQOSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001275395819 1104746204 /nfs/dbraw/zinc/74/62/04/1104746204.db2.gz FWZCIUSHZNUHPI-KRWDZBQOSA-N 2 1 308.491 3.202 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948043 1104747982 /nfs/dbraw/zinc/74/79/82/1104747982.db2.gz AADNYIHFJSWEPR-FUHWJXTLSA-N 3 1 309.542 3.397 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948043 1104747986 /nfs/dbraw/zinc/74/79/86/1104747986.db2.gz AADNYIHFJSWEPR-FUHWJXTLSA-N 3 1 309.542 3.397 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C2)c1 ZINC001246949020 1104748799 /nfs/dbraw/zinc/74/87/99/1104748799.db2.gz RRZUJGLXXLUPOC-ZHALLVOQSA-N 2 1 302.462 3.261 20 0 DGADMP CCOCC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246948687 1104748908 /nfs/dbraw/zinc/74/89/08/1104748908.db2.gz FIDZWZJPQSIMNC-HNNXBMFYSA-N 2 1 324.896 3.362 20 0 DGADMP CCOCC[N@@H+]([C@H](CC)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246951327 1104749823 /nfs/dbraw/zinc/74/98/23/1104749823.db2.gz UIOAVAAZMBHBDJ-GOSISDBHSA-N 2 1 304.478 3.098 20 0 DGADMP CC(C)[C@H]1C[C@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246962224 1104752626 /nfs/dbraw/zinc/75/26/26/1104752626.db2.gz AXTQZABUPGSQRR-NCXUSEDFSA-N 3 1 307.526 3.135 20 0 DGADMP CCC(CC)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246957322 1104752675 /nfs/dbraw/zinc/75/26/75/1104752675.db2.gz KHQFMGZYUDQLLR-UHFFFAOYSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246965650 1104753642 /nfs/dbraw/zinc/75/36/42/1104753642.db2.gz HPCLUMCKUDEXSX-ZHALLVOQSA-N 2 1 317.477 3.236 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC[NH2+]1 ZINC001246965290 1104753864 /nfs/dbraw/zinc/75/38/64/1104753864.db2.gz GYJZWQIFQIVRBH-KURKYZTESA-N 2 1 317.477 3.154 20 0 DGADMP CC[C@@H]1C[C@H](N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246963174 1104753881 /nfs/dbraw/zinc/75/38/81/1104753881.db2.gz GKPPWAJUFMVLQN-VAMGGRTRSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246964018 1104753992 /nfs/dbraw/zinc/75/39/92/1104753992.db2.gz JPONTUFHYRQASC-BZSNNMDCSA-N 3 1 305.510 3.033 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246967197 1104754702 /nfs/dbraw/zinc/75/47/02/1104754702.db2.gz LTGFTSGQNUJBNX-NJAFHUGGSA-N 2 1 317.477 3.092 20 0 DGADMP C[C@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)CO1 ZINC001246973557 1104757071 /nfs/dbraw/zinc/75/70/71/1104757071.db2.gz GLCOVMPNPHFHPQ-NBYUQASBSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246974748 1104757705 /nfs/dbraw/zinc/75/77/05/1104757705.db2.gz RSCKUPOKMDCLJE-AFYVEPGGSA-N 3 1 315.505 3.207 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246978351 1104760065 /nfs/dbraw/zinc/76/00/65/1104760065.db2.gz RZGGDOWYVVDADK-QGZVFWFLSA-N 2 1 320.427 3.429 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246978915 1104760250 /nfs/dbraw/zinc/76/02/50/1104760250.db2.gz KBISTVNKHSIMQJ-QRQLOZEOSA-N 2 1 318.436 3.201 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N([C@@H]3CC[NH2+]C3)C3CCCCC3)C2)C1 ZINC001246980973 1104760689 /nfs/dbraw/zinc/76/06/89/1104760689.db2.gz VDMATBBODXPRGL-WOJBJXKFSA-N 2 1 319.537 3.390 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@@H]1C ZINC001246991711 1104765862 /nfs/dbraw/zinc/76/58/62/1104765862.db2.gz KSXSDTCGZCSWSF-NXOAAHMSSA-N 2 1 324.509 3.064 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@H]1C ZINC001246991713 1104766272 /nfs/dbraw/zinc/76/62/72/1104766272.db2.gz KSXSDTCGZCSWSF-TWMKSMIVSA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246995228 1104769348 /nfs/dbraw/zinc/76/93/48/1104769348.db2.gz SGUJPYQFLHWVIT-DLBZAZTESA-N 2 1 316.445 3.141 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246996677 1104769383 /nfs/dbraw/zinc/76/93/83/1104769383.db2.gz IFRJMSVCOHASJZ-NARAOEGZSA-N 2 1 314.448 3.104 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2Cc3ccccc3O2)C[C@H](CC)[NH2+]1 ZINC001246999467 1104770473 /nfs/dbraw/zinc/77/04/73/1104770473.db2.gz JEIULMFUNCMMAB-XMTFNYHQSA-N 2 1 302.462 3.231 20 0 DGADMP C[C@@H]1C(=O)CC[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001424 1104771675 /nfs/dbraw/zinc/77/16/75/1104771675.db2.gz IJZZADVBDUCGDL-VYDXJSESSA-N 2 1 306.494 3.377 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001424 1104771677 /nfs/dbraw/zinc/77/16/77/1104771677.db2.gz IJZZADVBDUCGDL-VYDXJSESSA-N 2 1 306.494 3.377 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@@H]3CCC[NH2+]CC3)CC[C@H]1N2 ZINC001247002040 1104771965 /nfs/dbraw/zinc/77/19/65/1104771965.db2.gz KHMYEAXZTCZLQQ-UKPHBRMFSA-N 2 1 305.853 3.066 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@@H]3CCC[NH2+]CC3)CC[C@H]1N2 ZINC001247002040 1104771973 /nfs/dbraw/zinc/77/19/73/1104771973.db2.gz KHMYEAXZTCZLQQ-UKPHBRMFSA-N 2 1 305.853 3.066 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001247003405 1104772789 /nfs/dbraw/zinc/77/27/89/1104772789.db2.gz VRYJHJQSEMQCNH-ROUUACIJSA-N 2 1 314.473 3.377 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006633 1104773845 /nfs/dbraw/zinc/77/38/45/1104773845.db2.gz UYJYKUSKYOLDFF-QGZVFWFLSA-N 2 1 321.468 3.150 20 0 DGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001247006400 1104773893 /nfs/dbraw/zinc/77/38/93/1104773893.db2.gz UFYBMCZWTKDLFF-YYAJDYIMSA-N 2 1 319.468 3.033 20 0 DGADMP Fc1cc2c(cc1F)C[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001247006924 1104774712 /nfs/dbraw/zinc/77/47/12/1104774712.db2.gz XSUVHDCBDJCYBV-QAPCUYQASA-N 2 1 306.400 3.245 20 0 DGADMP CCCC[C@H](CC(C)C)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247008659 1104775127 /nfs/dbraw/zinc/77/51/27/1104775127.db2.gz NOPOSPSGFWFBPM-IAGOWNOFSA-N 2 1 324.509 3.066 20 0 DGADMP CCCCC(CCCC)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247010409 1104775534 /nfs/dbraw/zinc/77/55/34/1104775534.db2.gz VJLZFNXPLBOZGX-KRWDZBQOSA-N 2 1 324.509 3.210 20 0 DGADMP CC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001275617114 1104834031 /nfs/dbraw/zinc/83/40/31/1104834031.db2.gz JIZVUTVWEJUOSR-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630769 1104839645 /nfs/dbraw/zinc/83/96/45/1104839645.db2.gz NOPPJMQMUVRCPX-FQEVSTJZSA-N 2 1 314.473 3.319 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630769 1104839651 /nfs/dbraw/zinc/83/96/51/1104839651.db2.gz NOPPJMQMUVRCPX-FQEVSTJZSA-N 2 1 314.473 3.319 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630769 1104839660 /nfs/dbraw/zinc/83/96/60/1104839660.db2.gz NOPPJMQMUVRCPX-FQEVSTJZSA-N 2 1 314.473 3.319 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630769 1104839668 /nfs/dbraw/zinc/83/96/68/1104839668.db2.gz NOPPJMQMUVRCPX-FQEVSTJZSA-N 2 1 314.473 3.319 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)C1 ZINC001275631659 1104842108 /nfs/dbraw/zinc/84/21/08/1104842108.db2.gz XRFVCAZBGFKSTL-UHFFFAOYSA-N 2 1 314.473 3.319 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001275689249 1104866597 /nfs/dbraw/zinc/86/65/97/1104866597.db2.gz XHEBGNPMDFONRY-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP CC(C)COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001275689249 1104866605 /nfs/dbraw/zinc/86/66/05/1104866605.db2.gz XHEBGNPMDFONRY-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP CC(C)COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001275689249 1104866613 /nfs/dbraw/zinc/86/66/13/1104866613.db2.gz XHEBGNPMDFONRY-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC001275702901 1104870341 /nfs/dbraw/zinc/87/03/41/1104870341.db2.gz KAMPYCPIDOKMFM-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275822935 1104922726 /nfs/dbraw/zinc/92/27/26/1104922726.db2.gz SJKIUXXSXHMOPP-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001275913799 1104954021 /nfs/dbraw/zinc/95/40/21/1104954021.db2.gz RCEUBJMXAVTTDZ-PMACEKPBSA-N 2 1 315.505 3.020 20 0 DGADMP CCCCOc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247693723 1104957999 /nfs/dbraw/zinc/95/79/99/1104957999.db2.gz SUZBAITZFJUPTF-HNNXBMFYSA-N 2 1 318.421 3.044 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCOCc3ccccc3)C[C@H]2CC1 ZINC001275971878 1104973579 /nfs/dbraw/zinc/97/35/79/1104973579.db2.gz XXLIPLIIVQNSMT-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCOCc3ccccc3)C[C@H]2CC1 ZINC001275971878 1104973583 /nfs/dbraw/zinc/97/35/83/1104973583.db2.gz XXLIPLIIVQNSMT-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCCOCc3ccccc3)C[C@H]2CC1 ZINC001275971878 1104973586 /nfs/dbraw/zinc/97/35/86/1104973586.db2.gz XXLIPLIIVQNSMT-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H]1C[C@@H](C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)C[C@H](C)O1 ZINC001276017854 1104989088 /nfs/dbraw/zinc/98/90/88/1104989088.db2.gz GANIEKMHRXEIQV-BJWYYQGGSA-N 2 1 306.494 3.140 20 0 DGADMP C[C@@H]1C[C@@H](C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)C[C@H](C)O1 ZINC001276017854 1104989091 /nfs/dbraw/zinc/98/90/91/1104989091.db2.gz GANIEKMHRXEIQV-BJWYYQGGSA-N 2 1 306.494 3.140 20 0 DGADMP Cc1nccnc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276163919 1105034659 /nfs/dbraw/zinc/03/46/59/1105034659.db2.gz POXHJHBCAGMDCK-UHFFFAOYSA-N 2 1 314.477 3.016 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nn(-c2ccccc2)c1C ZINC001276162410 1105034809 /nfs/dbraw/zinc/03/48/09/1105034809.db2.gz LJVHBARUPGUWKK-JLYLLQBASA-N 2 1 324.472 3.204 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nn(-c2ccccc2)c1C ZINC001276162410 1105034816 /nfs/dbraw/zinc/03/48/16/1105034816.db2.gz LJVHBARUPGUWKK-JLYLLQBASA-N 2 1 324.472 3.204 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174366 1105036913 /nfs/dbraw/zinc/03/69/13/1105036913.db2.gz MKWWPPTXXNDQSI-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174366 1105036918 /nfs/dbraw/zinc/03/69/18/1105036918.db2.gz MKWWPPTXXNDQSI-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174366 1105036923 /nfs/dbraw/zinc/03/69/23/1105036923.db2.gz MKWWPPTXXNDQSI-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174366 1105036927 /nfs/dbraw/zinc/03/69/27/1105036927.db2.gz MKWWPPTXXNDQSI-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP CCOc1cc(O)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276217441 1105052248 /nfs/dbraw/zinc/05/22/48/1105052248.db2.gz IDLQCSNPNIHYER-UHFFFAOYSA-N 2 1 318.461 3.099 20 0 DGADMP CCc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1 ZINC001248195265 1105066207 /nfs/dbraw/zinc/06/62/07/1105066207.db2.gz URFWYZAXZZHVCF-HNNXBMFYSA-N 2 1 302.422 3.031 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)co1 ZINC001276265380 1105067935 /nfs/dbraw/zinc/06/79/35/1105067935.db2.gz UDZSWLCPHJZUSV-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)co1 ZINC001276265380 1105067942 /nfs/dbraw/zinc/06/79/42/1105067942.db2.gz UDZSWLCPHJZUSV-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)co1 ZINC001276265380 1105067946 /nfs/dbraw/zinc/06/79/46/1105067946.db2.gz UDZSWLCPHJZUSV-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cncc1Cl)CC2 ZINC001276283159 1105075949 /nfs/dbraw/zinc/07/59/49/1105075949.db2.gz WTJZDXFMTCVPKQ-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[N@H+]1CCCC2(CCN(Cc3nc4cc(F)ccc4[nH]3)CC2)C1 ZINC001276290374 1105079858 /nfs/dbraw/zinc/07/98/58/1105079858.db2.gz JOTFOYZDJXRCLC-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3nc4cc(F)ccc4[nH]3)CC2)C1 ZINC001276290374 1105079864 /nfs/dbraw/zinc/07/98/64/1105079864.db2.gz JOTFOYZDJXRCLC-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP Cc1cccc(Br)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001248604901 1105135310 /nfs/dbraw/zinc/13/53/10/1105135310.db2.gz VPPGBJDHVCNZTD-KGLIPLIRSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Cl)cc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248896244 1105188856 /nfs/dbraw/zinc/18/88/56/1105188856.db2.gz NBXCEYRLHSIQKB-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(F)cc4cc[nH]c43)C[C@H]2C1 ZINC001249525974 1105305929 /nfs/dbraw/zinc/30/59/29/1105305929.db2.gz JWOJOKVCXXMLDZ-HZPDHXFCSA-N 2 1 301.409 3.081 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001137329631 1105487825 /nfs/dbraw/zinc/48/78/25/1105487825.db2.gz HXGXSKUOUYKUGY-OALUTQOASA-N 2 1 309.457 3.195 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137342731 1105491230 /nfs/dbraw/zinc/49/12/30/1105491230.db2.gz KQWWLJUNAFYRFX-GJZGRUSLSA-N 2 1 301.409 3.081 20 0 DGADMP O[C@H](C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001251988135 1105719988 /nfs/dbraw/zinc/71/99/88/1105719988.db2.gz IBUHJIGBXUGFIH-RTBURBONSA-N 2 1 302.462 3.060 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H](O)c1ccccc1 ZINC001251992608 1105721205 /nfs/dbraw/zinc/72/12/05/1105721205.db2.gz ZFGLNSYKPGMJDU-GBESFXJTSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001251992608 1105721209 /nfs/dbraw/zinc/72/12/09/1105721209.db2.gz ZFGLNSYKPGMJDU-GBESFXJTSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001251992608 1105721214 /nfs/dbraw/zinc/72/12/14/1105721214.db2.gz ZFGLNSYKPGMJDU-GBESFXJTSA-N 2 1 302.462 3.059 20 0 DGADMP CC1([NH2+]C[C@@H](O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001252009890 1105724858 /nfs/dbraw/zinc/72/48/58/1105724858.db2.gz RXJMTLLHSWARTC-HXUWFJFHSA-N 2 1 324.468 3.364 20 0 DGADMP CCCC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252083480 1105735068 /nfs/dbraw/zinc/73/50/68/1105735068.db2.gz OVVMDFSOHWNGRS-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252083480 1105735070 /nfs/dbraw/zinc/73/50/70/1105735070.db2.gz OVVMDFSOHWNGRS-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[C@H](O)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252093482 1105737018 /nfs/dbraw/zinc/73/70/18/1105737018.db2.gz HSKBQNVHKSLLLD-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+]1CCC([NH2+]CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001256196429 1105843162 /nfs/dbraw/zinc/84/31/62/1105843162.db2.gz JVSTUEIZDVUTLC-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC001253107117 1105889507 /nfs/dbraw/zinc/88/95/07/1105889507.db2.gz KXHWGFJGLOVRAS-LJQANCHMSA-N 2 1 304.478 3.090 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001253195134 1105901286 /nfs/dbraw/zinc/90/12/86/1105901286.db2.gz NUADENNQLVXCTJ-RDJZCZTQSA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1SC ZINC001253195134 1105901290 /nfs/dbraw/zinc/90/12/90/1105901290.db2.gz NUADENNQLVXCTJ-RDJZCZTQSA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1cccc(F)c1 ZINC001253211345 1105903805 /nfs/dbraw/zinc/90/38/05/1105903805.db2.gz FFKLTZLMLSWCCO-RBUKOAKNSA-N 2 1 322.468 3.349 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC001253407198 1105936411 /nfs/dbraw/zinc/93/64/11/1105936411.db2.gz HIVIVAMUMMAHEY-KRWDZBQOSA-N 2 1 318.486 3.254 20 0 DGADMP CCCCC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001253528544 1105950361 /nfs/dbraw/zinc/95/03/61/1105950361.db2.gz NYNYYKCLWADCPE-BBWFWOEESA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001253528544 1105950366 /nfs/dbraw/zinc/95/03/66/1105950366.db2.gz NYNYYKCLWADCPE-BBWFWOEESA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253528544 1105950372 /nfs/dbraw/zinc/95/03/72/1105950372.db2.gz NYNYYKCLWADCPE-BBWFWOEESA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253528544 1105950375 /nfs/dbraw/zinc/95/03/75/1105950375.db2.gz NYNYYKCLWADCPE-BBWFWOEESA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001253563280 1105959339 /nfs/dbraw/zinc/95/93/39/1105959339.db2.gz JYUIZWZGPXMUPV-YSIASYRMSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)(C)[C@@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001253750626 1105980422 /nfs/dbraw/zinc/98/04/22/1105980422.db2.gz BSROFNJLQJNFHQ-KRWDZBQOSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001253759373 1105980790 /nfs/dbraw/zinc/98/07/90/1105980790.db2.gz KASWGXRIWHIVQX-KRWDZBQOSA-N 2 1 322.518 3.053 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001254039083 1106012414 /nfs/dbraw/zinc/01/24/14/1106012414.db2.gz YUYWYEMQYCZWDJ-MSOLQXFVSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+]([C@@H]2CCCOC2)C3)cc1 ZINC001254389186 1106064771 /nfs/dbraw/zinc/06/47/71/1106064771.db2.gz OHTINIWCJWXKRZ-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+]([C@@H]2CCCOC2)C3)cc1 ZINC001254389186 1106064777 /nfs/dbraw/zinc/06/47/77/1106064777.db2.gz OHTINIWCJWXKRZ-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+]([C@@H]2CCCOC2)C3)cc1 ZINC001254389186 1106064782 /nfs/dbraw/zinc/06/47/82/1106064782.db2.gz OHTINIWCJWXKRZ-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H]1CCC[N@@H+](C)CC1 ZINC001254500477 1106083570 /nfs/dbraw/zinc/08/35/70/1106083570.db2.gz HVWAMZKYZSFKGP-GOEBONIOSA-N 2 1 315.461 3.196 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1C(F)(F)F ZINC001254502026 1106084005 /nfs/dbraw/zinc/08/40/05/1106084005.db2.gz BBKGNAJKYWKEDL-ZDUSSCGKSA-N 2 1 316.367 3.288 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CCO)c2cccc3ccccc32)CC1 ZINC001254505229 1106084677 /nfs/dbraw/zinc/08/46/77/1106084677.db2.gz CWYVFMFFNUTUHH-XLIONFOSSA-N 2 1 312.457 3.337 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001254507467 1106084948 /nfs/dbraw/zinc/08/49/48/1106084948.db2.gz LQRWRFQXXHCJOG-RBUKOAKNSA-N 2 1 320.452 3.367 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001254503801 1106085087 /nfs/dbraw/zinc/08/50/87/1106085087.db2.gz PIVMGRXDKREKLX-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001254503801 1106085093 /nfs/dbraw/zinc/08/50/93/1106085093.db2.gz PIVMGRXDKREKLX-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001254502887 1106085371 /nfs/dbraw/zinc/08/53/71/1106085371.db2.gz JUXVKJSOJWWETF-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001254502887 1106085365 /nfs/dbraw/zinc/08/53/65/1106085365.db2.gz JUXVKJSOJWWETF-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H](n2c3cc(Cl)ccc3nc2CCC[NH3+])CC1 ZINC001254506742 1106085825 /nfs/dbraw/zinc/08/58/25/1106085825.db2.gz YYWDDQPNDUHZIU-AWEZNQCLSA-N 2 1 320.868 3.238 20 0 DGADMP C[N@H+]1CCC[C@H](n2c3ccc(F)cc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001254507792 1106086383 /nfs/dbraw/zinc/08/63/83/1106086383.db2.gz DZCCEPMOLUMBFJ-GJZGRUSLSA-N 2 1 315.436 3.253 20 0 DGADMP COCCC1(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CCC(F)(F)CC1 ZINC001254511886 1106086455 /nfs/dbraw/zinc/08/64/55/1106086455.db2.gz GWNUGBXTFVHPKJ-HNNXBMFYSA-N 2 1 318.452 3.293 20 0 DGADMP C[N@H+]1CCC[C@H](n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001254511702 1106086636 /nfs/dbraw/zinc/08/66/36/1106086636.db2.gz DBICFMGXZHHWDW-HNNXBMFYSA-N 2 1 305.853 3.453 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001254507496 1106086909 /nfs/dbraw/zinc/08/69/09/1106086909.db2.gz LURNWLMSQZLLDK-VQIMIIECSA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001254507488 1106087091 /nfs/dbraw/zinc/08/70/91/1106087091.db2.gz LURNWLMSQZLLDK-LPHOPBHVSA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC001254509051 1106087468 /nfs/dbraw/zinc/08/74/68/1106087468.db2.gz UULHBKVMQBCOAK-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccccc1CC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254518057 1106091295 /nfs/dbraw/zinc/09/12/95/1106091295.db2.gz AJKPVRCKJRZVDV-LJQANCHMSA-N 2 1 316.489 3.434 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254526976 1106092535 /nfs/dbraw/zinc/09/25/35/1106092535.db2.gz VBCIPXHMXWXDIR-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254526976 1106092539 /nfs/dbraw/zinc/09/25/39/1106092539.db2.gz VBCIPXHMXWXDIR-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526976 1106092544 /nfs/dbraw/zinc/09/25/44/1106092544.db2.gz VBCIPXHMXWXDIR-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254524462 1106092751 /nfs/dbraw/zinc/09/27/51/1106092751.db2.gz CAOLGMFJPIUOKL-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254524462 1106092755 /nfs/dbraw/zinc/09/27/55/1106092755.db2.gz CAOLGMFJPIUOKL-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524462 1106092761 /nfs/dbraw/zinc/09/27/61/1106092761.db2.gz CAOLGMFJPIUOKL-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254529235 1106094942 /nfs/dbraw/zinc/09/49/42/1106094942.db2.gz FKIZJSVBJOZOIS-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254529235 1106094948 /nfs/dbraw/zinc/09/49/48/1106094948.db2.gz FKIZJSVBJOZOIS-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254529235 1106094955 /nfs/dbraw/zinc/09/49/55/1106094955.db2.gz FKIZJSVBJOZOIS-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254529235 1106094964 /nfs/dbraw/zinc/09/49/64/1106094964.db2.gz FKIZJSVBJOZOIS-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254865078 1106150925 /nfs/dbraw/zinc/15/09/25/1106150925.db2.gz WQMUNDLSGVDYOQ-VQIMIIECSA-N 2 1 324.472 3.391 20 0 DGADMP O=C1C[C@@H]2CC([N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955282 1106159502 /nfs/dbraw/zinc/15/95/02/1106159502.db2.gz ZNGDQPLHFNJOGQ-YESZJQIVSA-N 2 1 304.478 3.085 20 0 DGADMP O=C1C[C@@H]2CC([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955282 1106159505 /nfs/dbraw/zinc/15/95/05/1106159505.db2.gz ZNGDQPLHFNJOGQ-YESZJQIVSA-N 2 1 304.478 3.085 20 0 DGADMP c1ccc2c(c1)CC([NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001255021772 1106168650 /nfs/dbraw/zinc/16/86/50/1106168650.db2.gz XMFSQMZWGWRYGJ-UHFFFAOYSA-N 2 1 310.485 3.494 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C2CCOCC2)C3)cc1 ZINC001255044217 1106172433 /nfs/dbraw/zinc/17/24/33/1106172433.db2.gz NARJSLWDXSJIBN-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C2CCOCC2)C3)cc1 ZINC001255044217 1106172435 /nfs/dbraw/zinc/17/24/35/1106172435.db2.gz NARJSLWDXSJIBN-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C2CCOCC2)C3)cc1 ZINC001255044217 1106172436 /nfs/dbraw/zinc/17/24/36/1106172436.db2.gz NARJSLWDXSJIBN-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C4CCSCC4)C3)C2)cc1 ZINC001255093919 1106177651 /nfs/dbraw/zinc/17/76/51/1106177651.db2.gz IVWYVOQSRKRTAY-LJQANCHMSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C4CCSCC4)C3)C2)cc1 ZINC001255093919 1106177653 /nfs/dbraw/zinc/17/76/53/1106177653.db2.gz IVWYVOQSRKRTAY-LJQANCHMSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C4CCSCC4)C3)C2)cc1 ZINC001255093919 1106177657 /nfs/dbraw/zinc/17/76/57/1106177657.db2.gz IVWYVOQSRKRTAY-LJQANCHMSA-N 2 1 316.514 3.480 20 0 DGADMP [NH3+][C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001255102826 1106179827 /nfs/dbraw/zinc/17/98/27/1106179827.db2.gz OOGYICDBPOOAGU-HKUYNNGSSA-N 2 1 307.441 3.171 20 0 DGADMP CC(C)[C@H]1[NH2+]CCc2ncn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)c21 ZINC001255119618 1106184097 /nfs/dbraw/zinc/18/40/97/1106184097.db2.gz XIAOEPBDKICXEK-IEBWSBKVSA-N 2 1 324.472 3.173 20 0 DGADMP Cc1cnc(C[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255127965 1106184949 /nfs/dbraw/zinc/18/49/49/1106184949.db2.gz GYIFRDAKROEPKL-BCDXTJNWSA-N 2 1 310.445 3.018 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255127392 1106185187 /nfs/dbraw/zinc/18/51/87/1106185187.db2.gz UXHPHQBPUYUHSZ-WTGUMLROSA-N 2 1 316.489 3.323 20 0 DGADMP O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255137694 1106187395 /nfs/dbraw/zinc/18/73/95/1106187395.db2.gz WBJMNIUXMBYQMX-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137694 1106187396 /nfs/dbraw/zinc/18/73/96/1106187396.db2.gz WBJMNIUXMBYQMX-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255137694 1106187397 /nfs/dbraw/zinc/18/73/97/1106187397.db2.gz WBJMNIUXMBYQMX-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001255137782 1106187517 /nfs/dbraw/zinc/18/75/17/1106187517.db2.gz XISVGIOZZVEWOC-IJXRJRJASA-N 2 1 314.473 3.293 20 0 DGADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001255137782 1106187521 /nfs/dbraw/zinc/18/75/21/1106187521.db2.gz XISVGIOZZVEWOC-IJXRJRJASA-N 2 1 314.473 3.293 20 0 DGADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001255137782 1106187523 /nfs/dbraw/zinc/18/75/23/1106187523.db2.gz XISVGIOZZVEWOC-IJXRJRJASA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136474 1106187785 /nfs/dbraw/zinc/18/77/85/1106187785.db2.gz LJXYIVPTEXGJEU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136474 1106187789 /nfs/dbraw/zinc/18/77/89/1106187789.db2.gz LJXYIVPTEXGJEU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136474 1106187791 /nfs/dbraw/zinc/18/77/91/1106187791.db2.gz LJXYIVPTEXGJEU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136474 1106187798 /nfs/dbraw/zinc/18/77/98/1106187798.db2.gz LJXYIVPTEXGJEU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[N@@H+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150552 1106190076 /nfs/dbraw/zinc/19/00/76/1106190076.db2.gz WGSXBHRVLLLBFT-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150552 1106190079 /nfs/dbraw/zinc/19/00/79/1106190079.db2.gz WGSXBHRVLLLBFT-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150552 1106190082 /nfs/dbraw/zinc/19/00/82/1106190082.db2.gz WGSXBHRVLLLBFT-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151369 1106191952 /nfs/dbraw/zinc/19/19/52/1106191952.db2.gz XMLMZRHUCRVXHM-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151369 1106191955 /nfs/dbraw/zinc/19/19/55/1106191955.db2.gz XMLMZRHUCRVXHM-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151369 1106191958 /nfs/dbraw/zinc/19/19/58/1106191958.db2.gz XMLMZRHUCRVXHM-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCSC2)CC3)co1 ZINC001255287991 1106215967 /nfs/dbraw/zinc/21/59/67/1106215967.db2.gz ZNVKBCKNFQPLHP-MRXNPFEDSA-N 2 1 306.475 3.073 20 0 DGADMP CCCC[C@@H](C)[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001255326617 1106223123 /nfs/dbraw/zinc/22/31/23/1106223123.db2.gz SKPFPPKBNODCMH-MRXNPFEDSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255338486 1106225678 /nfs/dbraw/zinc/22/56/78/1106225678.db2.gz ILNIBWVSEMYXOH-RDJZCZTQSA-N 2 1 310.482 3.092 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](NCC[NH+]3CCCCC3)CC2)cc1 ZINC001255375230 1106235529 /nfs/dbraw/zinc/23/55/29/1106235529.db2.gz FGGQYUDNVYYVCB-FQEVSTJZSA-N 2 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCN3CCCCC3)CC2)cc1 ZINC001255375230 1106235531 /nfs/dbraw/zinc/23/55/31/1106235531.db2.gz FGGQYUDNVYYVCB-FQEVSTJZSA-N 2 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCN3CCCCC3)CC2)cc1 ZINC001255375230 1106235532 /nfs/dbraw/zinc/23/55/32/1106235532.db2.gz FGGQYUDNVYYVCB-FQEVSTJZSA-N 2 1 315.505 3.117 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383987 1106237932 /nfs/dbraw/zinc/23/79/32/1106237932.db2.gz RBNOMGHLGPIRFQ-WOJBJXKFSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383987 1106237933 /nfs/dbraw/zinc/23/79/33/1106237933.db2.gz RBNOMGHLGPIRFQ-WOJBJXKFSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383987 1106237936 /nfs/dbraw/zinc/23/79/36/1106237936.db2.gz RBNOMGHLGPIRFQ-WOJBJXKFSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383987 1106237939 /nfs/dbraw/zinc/23/79/39/1106237939.db2.gz RBNOMGHLGPIRFQ-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383987 1106237940 /nfs/dbraw/zinc/23/79/40/1106237940.db2.gz RBNOMGHLGPIRFQ-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383987 1106237942 /nfs/dbraw/zinc/23/79/42/1106237942.db2.gz RBNOMGHLGPIRFQ-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383987 1106237943 /nfs/dbraw/zinc/23/79/43/1106237943.db2.gz RBNOMGHLGPIRFQ-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP CN1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383527 1106238103 /nfs/dbraw/zinc/23/81/03/1106238103.db2.gz LATGYQLIMWQOEU-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383527 1106238105 /nfs/dbraw/zinc/23/81/05/1106238105.db2.gz LATGYQLIMWQOEU-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383527 1106238106 /nfs/dbraw/zinc/23/81/06/1106238106.db2.gz LATGYQLIMWQOEU-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@@H]1CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383527 1106238108 /nfs/dbraw/zinc/23/81/08/1106238108.db2.gz LATGYQLIMWQOEU-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@@H]1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383527 1106238110 /nfs/dbraw/zinc/23/81/10/1106238110.db2.gz LATGYQLIMWQOEU-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP NC(=[NH2+])N(c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388245 1106239214 /nfs/dbraw/zinc/23/92/14/1106239214.db2.gz XNRMLOPBAAWYQS-LJQANCHMSA-N 2 1 322.456 3.441 20 0 DGADMP CC(C)([NH3+])C(C)(C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389249 1106239267 /nfs/dbraw/zinc/23/92/67/1106239267.db2.gz DFKZSGRYDUVAHC-QGZVFWFLSA-N 2 1 303.494 3.147 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255397059 1106240374 /nfs/dbraw/zinc/24/03/74/1106240374.db2.gz DHMLFOGPINXCIL-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255397059 1106240379 /nfs/dbraw/zinc/24/03/79/1106240379.db2.gz DHMLFOGPINXCIL-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397059 1106240385 /nfs/dbraw/zinc/24/03/85/1106240385.db2.gz DHMLFOGPINXCIL-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP O[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255395419 1106240436 /nfs/dbraw/zinc/24/04/36/1106240436.db2.gz ADWYBDXXFQENDV-MISYRCLQSA-N 2 1 316.489 3.182 20 0 DGADMP OC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001255395922 1106241773 /nfs/dbraw/zinc/24/17/73/1106241773.db2.gz FVYWSXPVAUNALO-LJQANCHMSA-N 2 1 316.489 3.326 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001255398539 1106243372 /nfs/dbraw/zinc/24/33/72/1106243372.db2.gz JUXLHUFCENKFPH-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001255398539 1106243381 /nfs/dbraw/zinc/24/33/81/1106243381.db2.gz JUXLHUFCENKFPH-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001255398539 1106243385 /nfs/dbraw/zinc/24/33/85/1106243385.db2.gz JUXLHUFCENKFPH-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](CC1CCOCC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399484 1106243500 /nfs/dbraw/zinc/24/35/00/1106243500.db2.gz SOJZYEWNVWHXML-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](CC1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399484 1106243503 /nfs/dbraw/zinc/24/35/03/1106243503.db2.gz SOJZYEWNVWHXML-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](CC1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399484 1106243507 /nfs/dbraw/zinc/24/35/07/1106243507.db2.gz SOJZYEWNVWHXML-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399219 1106243694 /nfs/dbraw/zinc/24/36/94/1106243694.db2.gz PDHRIHWBOAUFSB-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399219 1106243697 /nfs/dbraw/zinc/24/36/97/1106243697.db2.gz PDHRIHWBOAUFSB-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399219 1106243699 /nfs/dbraw/zinc/24/36/99/1106243699.db2.gz PDHRIHWBOAUFSB-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP CN1CCC[C@](C)([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399046 1106243737 /nfs/dbraw/zinc/24/37/37/1106243737.db2.gz ZCKWIVMDAQODAP-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@](C)(N[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399046 1106243740 /nfs/dbraw/zinc/24/37/40/1106243740.db2.gz ZCKWIVMDAQODAP-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@](C)(N[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399046 1106243742 /nfs/dbraw/zinc/24/37/42/1106243742.db2.gz ZCKWIVMDAQODAP-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@](C)(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399046 1106243746 /nfs/dbraw/zinc/24/37/46/1106243746.db2.gz ZCKWIVMDAQODAP-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@](C)(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399046 1106243749 /nfs/dbraw/zinc/24/37/49/1106243749.db2.gz ZCKWIVMDAQODAP-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001255400166 1106244307 /nfs/dbraw/zinc/24/43/07/1106244307.db2.gz GZDSMLARZHMOLE-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001255400166 1106244309 /nfs/dbraw/zinc/24/43/09/1106244309.db2.gz GZDSMLARZHMOLE-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001255400166 1106244313 /nfs/dbraw/zinc/24/43/13/1106244313.db2.gz GZDSMLARZHMOLE-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP OCC[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255405023 1106244503 /nfs/dbraw/zinc/24/45/03/1106244503.db2.gz MIAUBIXSZOUEST-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255405023 1106244508 /nfs/dbraw/zinc/24/45/08/1106244508.db2.gz MIAUBIXSZOUEST-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255405023 1106244510 /nfs/dbraw/zinc/24/45/10/1106244510.db2.gz MIAUBIXSZOUEST-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC(C)[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408682 1106246520 /nfs/dbraw/zinc/24/65/20/1106246520.db2.gz PHIUTIRTXPXGHE-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408682 1106246522 /nfs/dbraw/zinc/24/65/22/1106246522.db2.gz PHIUTIRTXPXGHE-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408682 1106246524 /nfs/dbraw/zinc/24/65/24/1106246524.db2.gz PHIUTIRTXPXGHE-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408682 1106246526 /nfs/dbraw/zinc/24/65/26/1106246526.db2.gz PHIUTIRTXPXGHE-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001255575210 1106272839 /nfs/dbraw/zinc/27/28/39/1106272839.db2.gz ZBPVLMCJLDCWAA-UOVPBQLFSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001255575210 1106272843 /nfs/dbraw/zinc/27/28/43/1106272843.db2.gz ZBPVLMCJLDCWAA-UOVPBQLFSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001255575210 1106272848 /nfs/dbraw/zinc/27/28/48/1106272848.db2.gz ZBPVLMCJLDCWAA-UOVPBQLFSA-N 2 1 322.518 3.315 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255668071 1106290956 /nfs/dbraw/zinc/29/09/56/1106290956.db2.gz CYUHGYMFNNAIQA-DXJOGWAWSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255668071 1106290960 /nfs/dbraw/zinc/29/09/60/1106290960.db2.gz CYUHGYMFNNAIQA-DXJOGWAWSA-N 2 1 316.445 3.139 20 0 DGADMP COc1ccc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001255671733 1106291283 /nfs/dbraw/zinc/29/12/83/1106291283.db2.gz RXIHNYLRKQVOAT-IHBAFOEMSA-N 2 1 315.461 3.146 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(N(C)C)c1 ZINC001255675020 1106291812 /nfs/dbraw/zinc/29/18/12/1106291812.db2.gz BCEDERUKPHELDF-NMACRGETSA-N 2 1 301.478 3.419 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(N(C)C)c1 ZINC001255675020 1106291815 /nfs/dbraw/zinc/29/18/15/1106291815.db2.gz BCEDERUKPHELDF-NMACRGETSA-N 2 1 301.478 3.419 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255676785 1106292973 /nfs/dbraw/zinc/29/29/73/1106292973.db2.gz NGYLHXRUVUNIMG-NNTIHVKESA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255676785 1106292976 /nfs/dbraw/zinc/29/29/76/1106292976.db2.gz NGYLHXRUVUNIMG-NNTIHVKESA-N 3 1 307.526 3.244 20 0 DGADMP COc1cccc(CC[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001255680738 1106293913 /nfs/dbraw/zinc/29/39/13/1106293913.db2.gz IFGVBDSMZKLLOP-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001255680738 1106293917 /nfs/dbraw/zinc/29/39/17/1106293917.db2.gz IFGVBDSMZKLLOP-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255680738 1106293923 /nfs/dbraw/zinc/29/39/23/1106293923.db2.gz IFGVBDSMZKLLOP-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255680738 1106293924 /nfs/dbraw/zinc/29/39/24/1106293924.db2.gz IFGVBDSMZKLLOP-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001255742994 1106306551 /nfs/dbraw/zinc/30/65/51/1106306551.db2.gz KOIGFNLCZMONRQ-ZNMIVQPWSA-N 2 1 308.466 3.190 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001255742994 1106306555 /nfs/dbraw/zinc/30/65/55/1106306555.db2.gz KOIGFNLCZMONRQ-ZNMIVQPWSA-N 2 1 308.466 3.190 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001255742994 1106306558 /nfs/dbraw/zinc/30/65/58/1106306558.db2.gz KOIGFNLCZMONRQ-ZNMIVQPWSA-N 2 1 308.466 3.190 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001255748163 1106307021 /nfs/dbraw/zinc/30/70/21/1106307021.db2.gz NWFMFJLLIRTKMK-CKEIUWERSA-N 2 1 308.466 3.190 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001255748163 1106307025 /nfs/dbraw/zinc/30/70/25/1106307025.db2.gz NWFMFJLLIRTKMK-CKEIUWERSA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnccc1C(F)(F)F ZINC001255940870 1106345449 /nfs/dbraw/zinc/34/54/49/1106345449.db2.gz HVEISMADUXWKNC-GFCCVEGCSA-N 2 1 303.372 3.310 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1c(=O)[nH]c(C)c2c1CCCC2 ZINC001255947057 1106346047 /nfs/dbraw/zinc/34/60/47/1106346047.db2.gz NDHPSABMVJHIMQ-AWEZNQCLSA-N 2 1 319.493 3.184 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccccc1N1CCCC1 ZINC001255944356 1106346457 /nfs/dbraw/zinc/34/64/57/1106346457.db2.gz UXOWXUKBYAOFFB-KRWDZBQOSA-N 2 1 303.494 3.497 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@H](C)CC[NH+](CC)CC)c1 ZINC001255953187 1106347995 /nfs/dbraw/zinc/34/79/95/1106347995.db2.gz YMKSEHQXJISPAK-CYBMUJFWSA-N 2 1 312.479 3.135 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001255961206 1106350764 /nfs/dbraw/zinc/35/07/64/1106350764.db2.gz LAKIKTCOARENOW-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001255961206 1106350769 /nfs/dbraw/zinc/35/07/69/1106350769.db2.gz LAKIKTCOARENOW-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001255965278 1106350888 /nfs/dbraw/zinc/35/08/88/1106350888.db2.gz ZGIKWGLPUGLSHU-QGZVFWFLSA-N 2 1 319.493 3.183 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001255965278 1106350891 /nfs/dbraw/zinc/35/08/91/1106350891.db2.gz ZGIKWGLPUGLSHU-QGZVFWFLSA-N 2 1 319.493 3.183 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC001255970786 1106351718 /nfs/dbraw/zinc/35/17/18/1106351718.db2.gz FWGFPJIZMLQBAS-HNNXBMFYSA-N 2 1 306.450 3.358 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC001255970786 1106351724 /nfs/dbraw/zinc/35/17/24/1106351724.db2.gz FWGFPJIZMLQBAS-HNNXBMFYSA-N 2 1 306.450 3.358 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001255966623 1106352291 /nfs/dbraw/zinc/35/22/91/1106352291.db2.gz LYJCZIGBKORPFR-QGZVFWFLSA-N 2 1 306.494 3.380 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001255972495 1106352778 /nfs/dbraw/zinc/35/27/78/1106352778.db2.gz SHKHAMHDCKSUSV-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001255972495 1106352782 /nfs/dbraw/zinc/35/27/82/1106352782.db2.gz SHKHAMHDCKSUSV-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CCc1cc2c(cc1CC)CC([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001256072012 1106363971 /nfs/dbraw/zinc/36/39/71/1106363971.db2.gz GMXLMNQFKZUXCA-UHFFFAOYSA-N 2 1 312.501 3.495 20 0 DGADMP COc1cccc(CC(C)(C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256071734 1106364482 /nfs/dbraw/zinc/36/44/82/1106364482.db2.gz MQCRAZWLFJEKLV-UHFFFAOYSA-N 2 1 302.462 3.233 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC001256181547 1106385561 /nfs/dbraw/zinc/38/55/61/1106385561.db2.gz XLOUNCFPXRBCQP-LBPRGKRZSA-N 2 1 311.267 3.193 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001256354537 1106408518 /nfs/dbraw/zinc/40/85/18/1106408518.db2.gz LYIPVEQIFAOSEY-GOSISDBHSA-N 2 1 317.521 3.348 20 0 DGADMP CC(C)CC[C@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001256363893 1106410221 /nfs/dbraw/zinc/41/02/21/1106410221.db2.gz NRACMWHFUAHABQ-HNNXBMFYSA-N 2 1 306.498 3.366 20 0 DGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CCC(C)C)CC2)C1 ZINC001256372254 1106411839 /nfs/dbraw/zinc/41/18/39/1106411839.db2.gz JRITXAWFDHQRNV-SJORKVTESA-N 2 1 324.509 3.161 20 0 DGADMP CCOC1CCC([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001256432258 1106421559 /nfs/dbraw/zinc/42/15/59/1106421559.db2.gz WMSJIRAIRZZZKY-IPJUCJBFSA-N 2 1 304.478 3.431 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256520865 1106433148 /nfs/dbraw/zinc/43/31/48/1106433148.db2.gz VCPIJPRACVNZGF-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520865 1106433152 /nfs/dbraw/zinc/43/31/52/1106433152.db2.gz VCPIJPRACVNZGF-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520865 1106433156 /nfs/dbraw/zinc/43/31/56/1106433156.db2.gz VCPIJPRACVNZGF-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523507 1106433529 /nfs/dbraw/zinc/43/35/29/1106433529.db2.gz PGEMKXHPMXWSME-QFHJOOASSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523507 1106433532 /nfs/dbraw/zinc/43/35/32/1106433532.db2.gz PGEMKXHPMXWSME-QFHJOOASSA-N 2 1 304.478 3.036 20 0 DGADMP COC(CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001256527895 1106434094 /nfs/dbraw/zinc/43/40/94/1106434094.db2.gz BBDWDMASTUMGOD-AEFFLSMTSA-N 2 1 320.477 3.028 20 0 DGADMP COC(CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001256527895 1106434098 /nfs/dbraw/zinc/43/40/98/1106434098.db2.gz BBDWDMASTUMGOD-AEFFLSMTSA-N 2 1 320.477 3.028 20 0 DGADMP COC(CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001256527897 1106434151 /nfs/dbraw/zinc/43/41/51/1106434151.db2.gz BBDWDMASTUMGOD-FUHWJXTLSA-N 2 1 320.477 3.028 20 0 DGADMP COC(CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001256527897 1106434155 /nfs/dbraw/zinc/43/41/55/1106434155.db2.gz BBDWDMASTUMGOD-FUHWJXTLSA-N 2 1 320.477 3.028 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC001256525871 1106434635 /nfs/dbraw/zinc/43/46/35/1106434635.db2.gz GFIGXQPYTVZRMO-NXHRZFHOSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC001256525871 1106434636 /nfs/dbraw/zinc/43/46/36/1106434636.db2.gz GFIGXQPYTVZRMO-NXHRZFHOSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525381 1106434649 /nfs/dbraw/zinc/43/46/49/1106434649.db2.gz YNTOPVRWWKNRBP-ZAWLATJESA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525381 1106434652 /nfs/dbraw/zinc/43/46/52/1106434652.db2.gz YNTOPVRWWKNRBP-ZAWLATJESA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001256536611 1106436502 /nfs/dbraw/zinc/43/65/02/1106436502.db2.gz KUVYSIQGHMVOPO-NZSAHSFTSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001256536611 1106436505 /nfs/dbraw/zinc/43/65/05/1106436505.db2.gz KUVYSIQGHMVOPO-NZSAHSFTSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537298 1106437145 /nfs/dbraw/zinc/43/71/45/1106437145.db2.gz NUCDRHZRTOIHRK-HNBVOPMISA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537298 1106437147 /nfs/dbraw/zinc/43/71/47/1106437147.db2.gz NUCDRHZRTOIHRK-HNBVOPMISA-N 2 1 316.489 3.180 20 0 DGADMP COC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535730 1106437238 /nfs/dbraw/zinc/43/72/38/1106437238.db2.gz CLGPYGDXWDGLAJ-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP COC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535730 1106437239 /nfs/dbraw/zinc/43/72/39/1106437239.db2.gz CLGPYGDXWDGLAJ-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC3(COC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542586 1106438937 /nfs/dbraw/zinc/43/89/37/1106438937.db2.gz PEHONKGNKWXDFH-MJGOQNOKSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542586 1106438940 /nfs/dbraw/zinc/43/89/40/1106438940.db2.gz PEHONKGNKWXDFH-MJGOQNOKSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542586 1106438943 /nfs/dbraw/zinc/43/89/43/1106438943.db2.gz PEHONKGNKWXDFH-MJGOQNOKSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542586 1106438944 /nfs/dbraw/zinc/43/89/44/1106438944.db2.gz PEHONKGNKWXDFH-MJGOQNOKSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCOC[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544400 1106438959 /nfs/dbraw/zinc/43/89/59/1106438959.db2.gz YCGQBNPFOJMKIA-JENIJYKNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCOC[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544400 1106438961 /nfs/dbraw/zinc/43/89/61/1106438961.db2.gz YCGQBNPFOJMKIA-JENIJYKNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544400 1106438964 /nfs/dbraw/zinc/43/89/64/1106438964.db2.gz YCGQBNPFOJMKIA-JENIJYKNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544400 1106438965 /nfs/dbraw/zinc/43/89/65/1106438965.db2.gz YCGQBNPFOJMKIA-JENIJYKNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543920 1106439061 /nfs/dbraw/zinc/43/90/61/1106439061.db2.gz VSUUCBPLFYDTTH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543920 1106439064 /nfs/dbraw/zinc/43/90/64/1106439064.db2.gz VSUUCBPLFYDTTH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543920 1106439068 /nfs/dbraw/zinc/43/90/68/1106439068.db2.gz VSUUCBPLFYDTTH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543920 1106439071 /nfs/dbraw/zinc/43/90/71/1106439071.db2.gz VSUUCBPLFYDTTH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256543881 1106439222 /nfs/dbraw/zinc/43/92/22/1106439222.db2.gz VBSJMLAILYWVLY-RNQOJCNYSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256543881 1106439226 /nfs/dbraw/zinc/43/92/26/1106439226.db2.gz VBSJMLAILYWVLY-RNQOJCNYSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543881 1106439228 /nfs/dbraw/zinc/43/92/28/1106439228.db2.gz VBSJMLAILYWVLY-RNQOJCNYSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543881 1106439231 /nfs/dbraw/zinc/43/92/31/1106439231.db2.gz VBSJMLAILYWVLY-RNQOJCNYSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@](C)(O)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542834 1106439297 /nfs/dbraw/zinc/43/92/97/1106439297.db2.gz QONOHBMDCSDTLH-CUDHKJQZSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@](C)(O)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542834 1106439299 /nfs/dbraw/zinc/43/92/99/1106439299.db2.gz QONOHBMDCSDTLH-CUDHKJQZSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(O)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542834 1106439303 /nfs/dbraw/zinc/43/93/03/1106439303.db2.gz QONOHBMDCSDTLH-CUDHKJQZSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(O)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542834 1106439307 /nfs/dbraw/zinc/43/93/07/1106439307.db2.gz QONOHBMDCSDTLH-CUDHKJQZSA-N 2 1 316.489 3.132 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544186 1106439397 /nfs/dbraw/zinc/43/93/97/1106439397.db2.gz XEXVZPYXNRWZQJ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544186 1106439401 /nfs/dbraw/zinc/43/94/01/1106439401.db2.gz XEXVZPYXNRWZQJ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544186 1106439403 /nfs/dbraw/zinc/43/94/03/1106439403.db2.gz XEXVZPYXNRWZQJ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544186 1106439406 /nfs/dbraw/zinc/43/94/06/1106439406.db2.gz XEXVZPYXNRWZQJ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544189 1106439588 /nfs/dbraw/zinc/43/95/88/1106439588.db2.gz XEXVZPYXNRWZQJ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544189 1106439592 /nfs/dbraw/zinc/43/95/92/1106439592.db2.gz XEXVZPYXNRWZQJ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544189 1106439593 /nfs/dbraw/zinc/43/95/93/1106439593.db2.gz XEXVZPYXNRWZQJ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544189 1106439596 /nfs/dbraw/zinc/43/95/96/1106439596.db2.gz XEXVZPYXNRWZQJ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCOC[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544403 1106439921 /nfs/dbraw/zinc/43/99/21/1106439921.db2.gz YCGQBNPFOJMKIA-YQVWRLOYSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCOC[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544403 1106439923 /nfs/dbraw/zinc/43/99/23/1106439923.db2.gz YCGQBNPFOJMKIA-YQVWRLOYSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544403 1106439925 /nfs/dbraw/zinc/43/99/25/1106439925.db2.gz YCGQBNPFOJMKIA-YQVWRLOYSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544403 1106439927 /nfs/dbraw/zinc/43/99/27/1106439927.db2.gz YCGQBNPFOJMKIA-YQVWRLOYSA-N 2 1 302.462 3.008 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553680 1106442137 /nfs/dbraw/zinc/44/21/37/1106442137.db2.gz IZZHUMBIWBEDNR-LMCOJAPRSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553680 1106442140 /nfs/dbraw/zinc/44/21/40/1106442140.db2.gz IZZHUMBIWBEDNR-LMCOJAPRSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553680 1106442142 /nfs/dbraw/zinc/44/21/42/1106442142.db2.gz IZZHUMBIWBEDNR-LMCOJAPRSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553680 1106442144 /nfs/dbraw/zinc/44/21/44/1106442144.db2.gz IZZHUMBIWBEDNR-LMCOJAPRSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[C@H](N2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555354 1106443444 /nfs/dbraw/zinc/44/34/44/1106443444.db2.gz UGJHJGAKKWXBHR-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H](N2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555354 1106443448 /nfs/dbraw/zinc/44/34/48/1106443448.db2.gz UGJHJGAKKWXBHR-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H](N2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555354 1106443450 /nfs/dbraw/zinc/44/34/50/1106443450.db2.gz UGJHJGAKKWXBHR-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](n2ccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256557208 1106443753 /nfs/dbraw/zinc/44/37/53/1106443753.db2.gz IGPKQICTSVLYAV-LPHOPBHVSA-N 2 1 309.457 3.359 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256563537 1106445992 /nfs/dbraw/zinc/44/59/92/1106445992.db2.gz AOAVMBBSGWKBRA-CQSZACIVSA-N 2 1 318.461 3.387 20 0 DGADMP C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577396 1106449302 /nfs/dbraw/zinc/44/93/02/1106449302.db2.gz LBYSUJFGBFGUOI-KRWDZBQOSA-N 2 1 302.462 3.185 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577396 1106449305 /nfs/dbraw/zinc/44/93/05/1106449305.db2.gz LBYSUJFGBFGUOI-KRWDZBQOSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001256604837 1106452703 /nfs/dbraw/zinc/45/27/03/1106452703.db2.gz XIAXTKWMROGYTK-YLJYHZDGSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001256604837 1106452708 /nfs/dbraw/zinc/45/27/08/1106452708.db2.gz XIAXTKWMROGYTK-YLJYHZDGSA-N 2 1 316.489 3.134 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccccc1Br ZINC001256825656 1106491716 /nfs/dbraw/zinc/49/17/16/1106491716.db2.gz BNPRRPRFWKLVSZ-LBPRGKRZSA-N 2 1 322.250 3.175 20 0 DGADMP CC[N@@H+](C)C1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256612985 1106453572 /nfs/dbraw/zinc/45/35/72/1106453572.db2.gz VGPHAGKAGMTPLL-UHFFFAOYSA-N 2 1 315.505 3.067 20 0 DGADMP FC1(F)C[C@]12CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256611773 1106453809 /nfs/dbraw/zinc/45/38/09/1106453809.db2.gz XWPKTGMGEMQJBG-KRWDZBQOSA-N 2 1 306.400 3.382 20 0 DGADMP FC1(F)C[C@]12CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256611773 1106453810 /nfs/dbraw/zinc/45/38/10/1106453810.db2.gz XWPKTGMGEMQJBG-KRWDZBQOSA-N 2 1 306.400 3.382 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623283 1106456008 /nfs/dbraw/zinc/45/60/08/1106456008.db2.gz MVGMJQLVDWOFBX-PMRDEQMMSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256623283 1106456011 /nfs/dbraw/zinc/45/60/11/1106456011.db2.gz MVGMJQLVDWOFBX-PMRDEQMMSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256623283 1106456020 /nfs/dbraw/zinc/45/60/20/1106456020.db2.gz MVGMJQLVDWOFBX-PMRDEQMMSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc(C2=CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)cc1 ZINC001256631101 1106456864 /nfs/dbraw/zinc/45/68/64/1106456864.db2.gz OMHGGLBWALIJNC-DFNIBXOVSA-N 2 1 312.457 3.410 20 0 DGADMP COc1ccc(C2=CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001256631101 1106456866 /nfs/dbraw/zinc/45/68/66/1106456866.db2.gz OMHGGLBWALIJNC-DFNIBXOVSA-N 2 1 312.457 3.410 20 0 DGADMP COc1ccc(C2=CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001256631101 1106456870 /nfs/dbraw/zinc/45/68/70/1106456870.db2.gz OMHGGLBWALIJNC-DFNIBXOVSA-N 2 1 312.457 3.410 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001256631445 1106457659 /nfs/dbraw/zinc/45/76/59/1106457659.db2.gz VOOIHMODWGWJEA-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001256631445 1106457661 /nfs/dbraw/zinc/45/76/61/1106457661.db2.gz VOOIHMODWGWJEA-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001256631445 1106457667 /nfs/dbraw/zinc/45/76/67/1106457667.db2.gz VOOIHMODWGWJEA-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256816144 1106489302 /nfs/dbraw/zinc/48/93/02/1106489302.db2.gz GXNSJITVACETMT-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP O[C@@H](CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899395 1106504411 /nfs/dbraw/zinc/50/44/11/1106504411.db2.gz GGXILUPTULJYAE-HKUYNNGSSA-N 2 1 302.462 3.107 20 0 DGADMP COc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256897919 1106504993 /nfs/dbraw/zinc/50/49/93/1106504993.db2.gz VMACGUWJEVDKPW-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256897919 1106504996 /nfs/dbraw/zinc/50/49/96/1106504996.db2.gz VMACGUWJEVDKPW-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907643 1106507784 /nfs/dbraw/zinc/50/77/84/1106507784.db2.gz FKVYHBOGFIDJBD-RYQLBKOJSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907643 1106507787 /nfs/dbraw/zinc/50/77/87/1106507787.db2.gz FKVYHBOGFIDJBD-RYQLBKOJSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)C[NH+]1CCC(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256907786 1106507826 /nfs/dbraw/zinc/50/78/26/1106507826.db2.gz IJQPBCRCCUVAQI-GOSISDBHSA-N 2 1 321.553 3.494 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257049571 1106530511 /nfs/dbraw/zinc/53/05/11/1106530511.db2.gz XIVIBQJXBAZPSU-VQHPVUNQSA-N 2 1 324.509 3.336 20 0 DGADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257049569 1106530739 /nfs/dbraw/zinc/53/07/39/1106530739.db2.gz XIVIBQJXBAZPSU-QAETUUGQSA-N 2 1 324.509 3.336 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C[C@H](C)O1 ZINC001257081449 1106535286 /nfs/dbraw/zinc/53/52/86/1106535286.db2.gz RTNIJCHSCUKTFZ-QDMKHBRRSA-N 2 1 306.425 3.032 20 0 DGADMP C[C@@H]1CC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C[C@@H](C)O1 ZINC001257092428 1106537090 /nfs/dbraw/zinc/53/70/90/1106537090.db2.gz NWKWTQNRDAQENR-HZPDHXFCSA-N 2 1 306.494 3.283 20 0 DGADMP C[C@@H]1CC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C[C@@H](C)O1 ZINC001257092428 1106537093 /nfs/dbraw/zinc/53/70/93/1106537093.db2.gz NWKWTQNRDAQENR-HZPDHXFCSA-N 2 1 306.494 3.283 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001257219644 1106553640 /nfs/dbraw/zinc/55/36/40/1106553640.db2.gz HJKQZBQFTSPXSW-IBGZPJMESA-N 2 1 302.462 3.403 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001257219644 1106553643 /nfs/dbraw/zinc/55/36/43/1106553643.db2.gz HJKQZBQFTSPXSW-IBGZPJMESA-N 2 1 302.462 3.403 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC001257220396 1106553655 /nfs/dbraw/zinc/55/36/55/1106553655.db2.gz OTKSUABUCVLOLJ-GOSISDBHSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC001257220396 1106553658 /nfs/dbraw/zinc/55/36/58/1106553658.db2.gz OTKSUABUCVLOLJ-GOSISDBHSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220396 1106553659 /nfs/dbraw/zinc/55/36/59/1106553659.db2.gz OTKSUABUCVLOLJ-GOSISDBHSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220396 1106553661 /nfs/dbraw/zinc/55/36/61/1106553661.db2.gz OTKSUABUCVLOLJ-GOSISDBHSA-N 2 1 302.462 3.321 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001257223702 1106553966 /nfs/dbraw/zinc/55/39/66/1106553966.db2.gz WVFUILUXXJHRJN-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP CCC[C@H](CC)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001257246334 1106555775 /nfs/dbraw/zinc/55/57/75/1106555775.db2.gz HIVWFLDPBOZVAM-IBGZPJMESA-N 2 1 303.494 3.102 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001257386075 1106579089 /nfs/dbraw/zinc/57/90/89/1106579089.db2.gz BSTZNKIMYPEAQT-IRXDYDNUSA-N 2 1 312.498 3.339 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+]CC[N@H+](CC)CCCC ZINC001257387908 1106579701 /nfs/dbraw/zinc/57/97/01/1106579701.db2.gz JTKXWGDLBSHGOF-MRXNPFEDSA-N 2 1 300.487 3.210 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+]CC[N@@H+](CC)CCCC ZINC001257387908 1106579703 /nfs/dbraw/zinc/57/97/03/1106579703.db2.gz JTKXWGDLBSHGOF-MRXNPFEDSA-N 2 1 300.487 3.210 20 0 DGADMP CCCC[C@@H](CC)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001257426936 1106587609 /nfs/dbraw/zinc/58/76/09/1106587609.db2.gz VWRZOYOULOLVKP-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCCCC1)[C@@H]2C ZINC001257457421 1106592671 /nfs/dbraw/zinc/59/26/71/1106592671.db2.gz FQZBWERMSBKSPY-OAHLLOKOSA-N 2 1 304.482 3.433 20 0 DGADMP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257665904 1106617160 /nfs/dbraw/zinc/61/71/60/1106617160.db2.gz HRMQDIBOCVLYPE-OAHLLOKOSA-N 2 1 310.894 3.485 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CCCSC4)C[C@H]3C2)c1 ZINC001257671604 1106617549 /nfs/dbraw/zinc/61/75/49/1106617549.db2.gz PADCKTXMMGZYTM-RBSFLKMASA-N 2 1 308.516 3.007 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCSC1 ZINC001257676925 1106619509 /nfs/dbraw/zinc/61/95/09/1106619509.db2.gz NICUIRFANOKZGB-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCSC1 ZINC001257676925 1106619511 /nfs/dbraw/zinc/61/95/11/1106619511.db2.gz NICUIRFANOKZGB-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCSC1 ZINC001257676925 1106619513 /nfs/dbraw/zinc/61/95/13/1106619513.db2.gz NICUIRFANOKZGB-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257948589 1106648285 /nfs/dbraw/zinc/64/82/85/1106648285.db2.gz PWSUCGCURJDYSE-RHSMWYFYSA-N 2 1 322.880 3.498 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953211 1106649502 /nfs/dbraw/zinc/64/95/02/1106649502.db2.gz NMBOFTWMZOLELB-NXOAAHMSSA-N 2 1 320.864 3.248 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953211 1106649505 /nfs/dbraw/zinc/64/95/05/1106649505.db2.gz NMBOFTWMZOLELB-NXOAAHMSSA-N 2 1 320.864 3.248 20 0 DGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC(c2ccccc2)CC1 ZINC001257992973 1106654519 /nfs/dbraw/zinc/65/45/19/1106654519.db2.gz CTJXOEQKLNYOOI-UHFFFAOYSA-N 3 1 317.521 3.315 20 0 DGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC(c2ccccc2)CC1 ZINC001257992973 1106654521 /nfs/dbraw/zinc/65/45/21/1106654521.db2.gz CTJXOEQKLNYOOI-UHFFFAOYSA-N 3 1 317.521 3.315 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCCC2)CC1 ZINC001258002503 1106655771 /nfs/dbraw/zinc/65/57/71/1106655771.db2.gz NTDNKIMCWXRHOA-UHFFFAOYSA-N 2 1 315.505 3.497 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cnc3ccccn32)CC1 ZINC001258001101 1106655889 /nfs/dbraw/zinc/65/58/89/1106655889.db2.gz BAVGNPAHWOSFDK-OAHLLOKOSA-N 2 1 300.450 3.105 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258113314 1106675479 /nfs/dbraw/zinc/67/54/79/1106675479.db2.gz RLRXHFGDXDZHSG-HZPDHXFCSA-N 2 1 310.482 3.105 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258113314 1106675480 /nfs/dbraw/zinc/67/54/80/1106675480.db2.gz RLRXHFGDXDZHSG-HZPDHXFCSA-N 2 1 310.482 3.105 20 0 DGADMP C[C@@]1(CF)CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141312 1106680066 /nfs/dbraw/zinc/68/00/66/1106680066.db2.gz YKOXZTTVJQATDK-IBGZPJMESA-N 2 1 304.453 3.375 20 0 DGADMP C[C@@]1(CF)CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141312 1106680070 /nfs/dbraw/zinc/68/00/70/1106680070.db2.gz YKOXZTTVJQATDK-IBGZPJMESA-N 2 1 304.453 3.375 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1C[C@@H](C)C[C@H](C)C1)C2 ZINC001258166535 1106684550 /nfs/dbraw/zinc/68/45/50/1106684550.db2.gz WEXMHJJNPWMYAQ-HOTGVXAUSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1C[C@@H](C)C[C@H](C)C1)C2 ZINC001258166535 1106684552 /nfs/dbraw/zinc/68/45/52/1106684552.db2.gz WEXMHJJNPWMYAQ-HOTGVXAUSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1C[C@@H](C)C[C@H](C)C1)C2 ZINC001258166535 1106684554 /nfs/dbraw/zinc/68/45/54/1106684554.db2.gz WEXMHJJNPWMYAQ-HOTGVXAUSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1C[C@@H](C)C[C@H](C)C1)C2 ZINC001258166535 1106684556 /nfs/dbraw/zinc/68/45/56/1106684556.db2.gz WEXMHJJNPWMYAQ-HOTGVXAUSA-N 2 1 318.509 3.364 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C[C@@H](C)C1 ZINC001258168996 1106685328 /nfs/dbraw/zinc/68/53/28/1106685328.db2.gz RRRUEYGNDHPABX-MNZLEMJZSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258183150 1106690005 /nfs/dbraw/zinc/69/00/05/1106690005.db2.gz IWTGOOIBERTWRV-SZMVWBNQSA-N 2 1 313.445 3.378 20 0 DGADMP CSCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258208721 1106697400 /nfs/dbraw/zinc/69/74/00/1106697400.db2.gz HKLNQXXZVCLJMS-XIRDDKMYSA-N 2 1 307.507 3.295 20 0 DGADMP c1cn(Cc2noc3c2C[N@H+](C2CCCCCCC2)CC3)cn1 ZINC001258237093 1106703317 /nfs/dbraw/zinc/70/33/17/1106703317.db2.gz FSOPFURNRAUIOP-UHFFFAOYSA-N 2 1 314.433 3.390 20 0 DGADMP COC(=O)CC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258357578 1106722174 /nfs/dbraw/zinc/72/21/74/1106722174.db2.gz KMMFOPGNOJWJBU-KBAYOESNSA-N 2 1 318.461 3.100 20 0 DGADMP Fc1cccc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001258413471 1106734775 /nfs/dbraw/zinc/73/47/75/1106734775.db2.gz GXVBMUGWPLTDTO-UHFFFAOYSA-N 2 1 317.452 3.011 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258423437 1106738983 /nfs/dbraw/zinc/73/89/83/1106738983.db2.gz HCRDONYPRRAHSU-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258423437 1106738993 /nfs/dbraw/zinc/73/89/93/1106738993.db2.gz HCRDONYPRRAHSU-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258487454 1106776075 /nfs/dbraw/zinc/77/60/75/1106776075.db2.gz TUAVIVOCKXRPOM-SZMVWBNQSA-N 2 1 324.509 3.480 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)C1CCN(c2ccccc2Cl)CC1 ZINC001258541354 1106812340 /nfs/dbraw/zinc/81/23/40/1106812340.db2.gz IIMJJLNFTJBAGY-UHFFFAOYSA-N 2 1 309.885 3.192 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258627120 1106864075 /nfs/dbraw/zinc/86/40/75/1106864075.db2.gz IFERALQUBAWCJO-HKUYNNGSSA-N 2 1 301.478 3.353 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258673289 1106895353 /nfs/dbraw/zinc/89/53/53/1106895353.db2.gz PYZHXLDDHLIDCS-VXGBXAGGSA-N 2 1 301.261 3.466 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258705619 1106919476 /nfs/dbraw/zinc/91/94/76/1106919476.db2.gz JESRVUUJFZTLAJ-ZWKOTPCHSA-N 2 1 320.477 3.048 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258705618 1106920156 /nfs/dbraw/zinc/92/01/56/1106920156.db2.gz JESRVUUJFZTLAJ-QZTJIDSGSA-N 2 1 320.477 3.048 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnc3c(C)cccn23)CC1 ZINC001258769199 1106965138 /nfs/dbraw/zinc/96/51/38/1106965138.db2.gz GUTUDSLQJDMYGO-HNNXBMFYSA-N 2 1 300.450 3.168 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3OC)C2)CC1 ZINC001258771714 1106967371 /nfs/dbraw/zinc/96/73/71/1106967371.db2.gz QKYPHZKEWHUQSP-INIZCTEOSA-N 2 1 302.462 3.359 20 0 DGADMP COC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CCCCCC1 ZINC001474748847 1106997005 /nfs/dbraw/zinc/99/70/05/1106997005.db2.gz SVAPLZJPXZZMHL-RCCFBDPRSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N)(c2ccccc2)CC1 ZINC001258905620 1107051928 /nfs/dbraw/zinc/05/19/28/1107051928.db2.gz UZBNKBBVVVJABQ-GOSISDBHSA-N 2 1 317.521 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258905620 1107051940 /nfs/dbraw/zinc/05/19/40/1107051940.db2.gz UZBNKBBVVVJABQ-GOSISDBHSA-N 2 1 317.521 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001258910702 1107057481 /nfs/dbraw/zinc/05/74/81/1107057481.db2.gz UISURGSXNYEWRW-MNEFBYGVSA-N 2 1 314.473 3.409 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001320868219 1107168572 /nfs/dbraw/zinc/16/85/72/1107168572.db2.gz BKWLKTMMSGVIOJ-MRXNPFEDSA-N 2 1 314.477 3.474 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001320868219 1107168578 /nfs/dbraw/zinc/16/85/78/1107168578.db2.gz BKWLKTMMSGVIOJ-MRXNPFEDSA-N 2 1 314.477 3.474 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317430986 1107355984 /nfs/dbraw/zinc/35/59/84/1107355984.db2.gz DAVBNQUYDMMFLN-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001261186407 1107356668 /nfs/dbraw/zinc/35/66/68/1107356668.db2.gz GGZNATVSOPWIHQ-UHFFFAOYSA-N 2 1 323.444 3.114 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001261186407 1107356681 /nfs/dbraw/zinc/35/66/81/1107356681.db2.gz GGZNATVSOPWIHQ-UHFFFAOYSA-N 2 1 323.444 3.114 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC(O)CC2)C1 ZINC001261252171 1107374887 /nfs/dbraw/zinc/37/48/87/1107374887.db2.gz ALBBJIWYQIBSCC-BKVYNOPKSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC(O)CC2)C1 ZINC001261252171 1107374902 /nfs/dbraw/zinc/37/49/02/1107374902.db2.gz ALBBJIWYQIBSCC-BKVYNOPKSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC001261252171 1107374917 /nfs/dbraw/zinc/37/49/17/1107374917.db2.gz ALBBJIWYQIBSCC-BKVYNOPKSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001261483343 1107443231 /nfs/dbraw/zinc/44/32/31/1107443231.db2.gz QHHKTHHHQYLPNZ-OAHLLOKOSA-N 2 1 322.522 3.145 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001261483342 1107443610 /nfs/dbraw/zinc/44/36/10/1107443610.db2.gz QHHKTHHHQYLPNZ-HNNXBMFYSA-N 2 1 322.522 3.145 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC001262198012 1107647879 /nfs/dbraw/zinc/64/78/79/1107647879.db2.gz CZVOOQUJDJUFIH-KFKAGJAMSA-N 2 1 303.494 3.272 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001262379164 1107707089 /nfs/dbraw/zinc/70/70/89/1107707089.db2.gz SUYADGHEEIUMCQ-JZXOWHBKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@H](NC[C@H](O)c2cccc3ccccc32)C1 ZINC001262569513 1107726013 /nfs/dbraw/zinc/72/60/13/1107726013.db2.gz ADZGDGIIIOJBFP-LPHOPBHVSA-N 2 1 312.457 3.336 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H](NC[C@H](O)c2cccc3ccccc32)C1 ZINC001262569513 1107726024 /nfs/dbraw/zinc/72/60/24/1107726024.db2.gz ADZGDGIIIOJBFP-LPHOPBHVSA-N 2 1 312.457 3.336 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC001262671416 1107774141 /nfs/dbraw/zinc/77/41/41/1107774141.db2.gz CXGDJCVYXWOMGX-YSIASYRMSA-N 2 1 307.441 3.216 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC001318083759 1107830725 /nfs/dbraw/zinc/83/07/25/1107830725.db2.gz JTSBMUUQTBFMCV-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001318083759 1107830741 /nfs/dbraw/zinc/83/07/41/1107830741.db2.gz JTSBMUUQTBFMCV-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001318083759 1107830755 /nfs/dbraw/zinc/83/07/55/1107830755.db2.gz JTSBMUUQTBFMCV-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N)[nH+]cn2)cc1 ZINC001318277898 1107926570 /nfs/dbraw/zinc/92/65/70/1107926570.db2.gz VUQWMCDTXCEVIB-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N)[nH+]cn2)cc1 ZINC001318277898 1107926576 /nfs/dbraw/zinc/92/65/76/1107926576.db2.gz VUQWMCDTXCEVIB-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N)nc[nH+]2)cc1 ZINC001318277898 1107926585 /nfs/dbraw/zinc/92/65/85/1107926585.db2.gz VUQWMCDTXCEVIB-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N)nc[nH+]2)cc1 ZINC001318277898 1107926592 /nfs/dbraw/zinc/92/65/92/1107926592.db2.gz VUQWMCDTXCEVIB-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)[nH]n1 ZINC001318419049 1107993315 /nfs/dbraw/zinc/99/33/15/1107993315.db2.gz QDUDGIRBLMVXMM-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)[nH]n1 ZINC001318419049 1107993325 /nfs/dbraw/zinc/99/33/25/1107993325.db2.gz QDUDGIRBLMVXMM-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001323696926 1108055154 /nfs/dbraw/zinc/05/51/54/1108055154.db2.gz FZZQRLZFQZCJNX-HNNXBMFYSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001323696926 1108055170 /nfs/dbraw/zinc/05/51/70/1108055170.db2.gz FZZQRLZFQZCJNX-HNNXBMFYSA-N 2 1 308.416 3.171 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001323696926 1108055127 /nfs/dbraw/zinc/05/51/27/1108055127.db2.gz FZZQRLZFQZCJNX-HNNXBMFYSA-N 2 1 308.416 3.171 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001323696926 1108055140 /nfs/dbraw/zinc/05/51/40/1108055140.db2.gz FZZQRLZFQZCJNX-HNNXBMFYSA-N 2 1 308.416 3.171 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC001319198193 1108363125 /nfs/dbraw/zinc/36/31/25/1108363125.db2.gz ATQUAYYULWYHKQ-JKSUJKDBSA-N 2 1 320.477 3.395 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC001324609764 1108375806 /nfs/dbraw/zinc/37/58/06/1108375806.db2.gz BOOWLODGWMIIPQ-UHFFFAOYSA-N 2 1 309.885 3.370 20 0 DGADMP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001319471875 1108483483 /nfs/dbraw/zinc/48/34/83/1108483483.db2.gz GJNOGENFWQVRLE-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388736557 1108591994 /nfs/dbraw/zinc/59/19/94/1108591994.db2.gz BWSFPAFEFNNNBJ-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCSCC4)[C@@H]3C2)cc1 ZINC000390819148 1108678556 /nfs/dbraw/zinc/67/85/56/1108678556.db2.gz SLMLNRVHEAYGQT-UHOSZYNNSA-N 2 1 316.514 3.382 20 0 DGADMP CC(C)[NH2+]C1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001265737179 1108986540 /nfs/dbraw/zinc/98/65/40/1108986540.db2.gz BFFZWNTXKZWAEQ-UHFFFAOYSA-N 2 1 323.525 3.066 20 0 DGADMP CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266002721 1109060648 /nfs/dbraw/zinc/06/06/48/1109060648.db2.gz RAKALKWZRWCGSJ-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001283676439 1109671644 /nfs/dbraw/zinc/67/16/44/1109671644.db2.gz AAWRPFAFQXRYRM-YQJUVHNHSA-N 2 1 323.525 3.042 20 0 DGADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001307456781 1111301170 /nfs/dbraw/zinc/30/11/70/1111301170.db2.gz XEUDJUGVLVVULP-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582093 1111316324 /nfs/dbraw/zinc/31/63/24/1111316324.db2.gz FOQRKTQXTIJKNN-WOJBJXKFSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582093 1111316327 /nfs/dbraw/zinc/31/63/27/1111316327.db2.gz FOQRKTQXTIJKNN-WOJBJXKFSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001307582093 1111316329 /nfs/dbraw/zinc/31/63/29/1111316329.db2.gz FOQRKTQXTIJKNN-WOJBJXKFSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001307582093 1111316333 /nfs/dbraw/zinc/31/63/33/1111316333.db2.gz FOQRKTQXTIJKNN-WOJBJXKFSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001307705576 1111330121 /nfs/dbraw/zinc/33/01/21/1111330121.db2.gz IDWQHTCRTHRWLE-QRQLOZEOSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001307705576 1111330124 /nfs/dbraw/zinc/33/01/24/1111330124.db2.gz IDWQHTCRTHRWLE-QRQLOZEOSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)C[C@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307759992 1111336298 /nfs/dbraw/zinc/33/62/98/1111336298.db2.gz HVGUWZQTLMSGPZ-IBGZPJMESA-N 2 1 317.521 3.171 20 0 DGADMP CCCN(CC[N@@H+](C)Cc1ccccc1)CC[NH+]1CCCCC1 ZINC001307762879 1111336628 /nfs/dbraw/zinc/33/66/28/1111336628.db2.gz RYGZKQLIRJEZET-UHFFFAOYSA-N 2 1 317.521 3.316 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCCCCC1 ZINC001307773102 1111337610 /nfs/dbraw/zinc/33/76/10/1111337610.db2.gz KSJCHOQVTDSQEX-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCCCCC1 ZINC001307773102 1111337612 /nfs/dbraw/zinc/33/76/12/1111337612.db2.gz KSJCHOQVTDSQEX-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCCC13CCOCC3)C2 ZINC001307786358 1111339103 /nfs/dbraw/zinc/33/91/03/1111339103.db2.gz ZDIJNIHJWKZWIY-QZTJIDSGSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCCC13CCOCC3)C2 ZINC001307786358 1111339107 /nfs/dbraw/zinc/33/91/07/1111339107.db2.gz ZDIJNIHJWKZWIY-QZTJIDSGSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCCC13CCOCC3)C2 ZINC001307786358 1111339113 /nfs/dbraw/zinc/33/91/13/1111339113.db2.gz ZDIJNIHJWKZWIY-QZTJIDSGSA-N 2 1 306.494 3.001 20 0 DGADMP CC(C)(C)n1cncc1[C@@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC001308165661 1111387783 /nfs/dbraw/zinc/38/77/83/1111387783.db2.gz PZNYDVVSSRASIQ-QGZVFWFLSA-N 2 1 312.461 3.455 20 0 DGADMP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC001308202400 1111396713 /nfs/dbraw/zinc/39/67/13/1111396713.db2.gz KTJPSPJAVFSDQR-ZACQAIPSSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC001308202400 1111396717 /nfs/dbraw/zinc/39/67/17/1111396717.db2.gz KTJPSPJAVFSDQR-ZACQAIPSSA-N 2 1 302.462 3.405 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+](CCOC)CC1)c1ccccc1 ZINC001308226056 1111400376 /nfs/dbraw/zinc/40/03/76/1111400376.db2.gz JATJBGNLEMMFRB-SFHVURJKSA-N 2 1 304.478 3.271 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001308224033 1111400461 /nfs/dbraw/zinc/40/04/61/1111400461.db2.gz CYWNJRXJHBLFJQ-AEFFLSMTSA-N 2 1 316.489 3.264 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001308366252 1111422314 /nfs/dbraw/zinc/42/23/14/1111422314.db2.gz KGZNIDYGONWDKW-RTBURBONSA-N 2 1 316.489 3.312 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)cc3C(F)(F)F)[C@@H]2C1 ZINC001308553106 1111442617 /nfs/dbraw/zinc/44/26/17/1111442617.db2.gz GXFLBVJLOVWOPF-NJZAAPMLSA-N 2 1 316.342 3.274 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c(OC(F)F)cc1C ZINC001308553178 1111443117 /nfs/dbraw/zinc/44/31/17/1111443117.db2.gz IFKRWYHQMKHUSP-VNQPRFMTSA-N 2 1 324.415 3.335 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c(OC(F)F)cc1C ZINC001308553178 1111443121 /nfs/dbraw/zinc/44/31/21/1111443121.db2.gz IFKRWYHQMKHUSP-VNQPRFMTSA-N 2 1 324.415 3.335 20 0 DGADMP CCn1cnc(Cl)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001308594497 1111448218 /nfs/dbraw/zinc/44/82/18/1111448218.db2.gz ODRLRWZWTFEXDC-UHFFFAOYSA-N 2 1 312.889 3.110 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC001308595420 1111449113 /nfs/dbraw/zinc/44/91/13/1111449113.db2.gz YAEQLHFACWEGFF-IBGZPJMESA-N 2 1 301.478 3.295 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883505 1111488320 /nfs/dbraw/zinc/48/83/20/1111488320.db2.gz XHNWTWFTJOEQCD-HNAYVOBHSA-N 2 1 301.478 3.123 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883505 1111488323 /nfs/dbraw/zinc/48/83/23/1111488323.db2.gz XHNWTWFTJOEQCD-HNAYVOBHSA-N 2 1 301.478 3.123 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308919468 1111493460 /nfs/dbraw/zinc/49/34/60/1111493460.db2.gz RTQICUPSPOIMID-MRXNPFEDSA-N 2 1 310.445 3.142 20 0 DGADMP C[NH+]1CCN(c2ccc(NC3CCCC3)c3c[nH+]ccc32)CC1 ZINC001308982329 1111504446 /nfs/dbraw/zinc/50/44/46/1111504446.db2.gz VZDVEBINIPMDMT-UHFFFAOYSA-N 2 1 310.445 3.341 20 0 DGADMP C[C@H]([NH2+]C1(C[NH2+]CC2(C)COC2)CCCC1)c1ccccc1 ZINC000286536703 219042391 /nfs/dbraw/zinc/04/23/91/219042391.db2.gz OAFLNZPDEAIECD-INIZCTEOSA-N 2 1 302.462 3.276 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccccc32)CCCO1 ZINC000278480201 214180913 /nfs/dbraw/zinc/18/09/13/214180913.db2.gz KMNAEBYPSSGHAG-NVXWUHKLSA-N 2 1 320.502 3.314 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000278529281 214216130 /nfs/dbraw/zinc/21/61/30/214216130.db2.gz RJIWAYNKEZTBSL-CABCVRRESA-N 2 1 310.532 3.303 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000278529281 214216133 /nfs/dbraw/zinc/21/61/33/214216133.db2.gz RJIWAYNKEZTBSL-CABCVRRESA-N 2 1 310.532 3.303 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000079077102 185154774 /nfs/dbraw/zinc/15/47/74/185154774.db2.gz QECPUWDGELKVNS-UHFFFAOYSA-N 2 1 324.538 3.201 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000305788554 231056657 /nfs/dbraw/zinc/05/66/57/231056657.db2.gz SNPHDAZKXRDBFJ-FQEVSTJZSA-N 2 1 316.489 3.354 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(Br)c2)CC[N@H+]1C ZINC000313707606 231125591 /nfs/dbraw/zinc/12/55/91/231125591.db2.gz ZRUVZLSTKMJLSF-SWLSCSKDSA-N 2 1 311.267 3.064 20 0 DGADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278739986 214367929 /nfs/dbraw/zinc/36/79/29/214367929.db2.gz WOMPJQBCTHOZIL-FUHWJXTLSA-N 2 1 305.466 3.013 20 0 DGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278739986 214367932 /nfs/dbraw/zinc/36/79/32/214367932.db2.gz WOMPJQBCTHOZIL-FUHWJXTLSA-N 2 1 305.466 3.013 20 0 DGADMP CCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000278771015 214390471 /nfs/dbraw/zinc/39/04/71/214390471.db2.gz PDXKSGPAIYRETH-ACDBMABISA-N 2 1 324.472 3.188 20 0 DGADMP CCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000278771015 214390472 /nfs/dbraw/zinc/39/04/72/214390472.db2.gz PDXKSGPAIYRETH-ACDBMABISA-N 2 1 324.472 3.188 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000294924816 529651267 /nfs/dbraw/zinc/65/12/67/529651267.db2.gz HDJAPYYBWSFMPL-JQHSSLGASA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(C)(C)O ZINC000295021868 529660641 /nfs/dbraw/zinc/66/06/41/529660641.db2.gz NUCPRNXDYIIRMI-HCXYKTFWSA-N 2 1 316.489 3.036 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000339074989 282249777 /nfs/dbraw/zinc/24/97/77/282249777.db2.gz OKNYRSHSVUNIAY-RLFYNMQTSA-N 2 1 321.896 3.159 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279179307 214681602 /nfs/dbraw/zinc/68/16/02/214681602.db2.gz RQFDVKFIQABCQE-GFCCVEGCSA-N 2 1 306.479 3.371 20 0 DGADMP C[N@@H+](CCN1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000429720145 529907194 /nfs/dbraw/zinc/90/71/94/529907194.db2.gz FCRPRFICJWRRCJ-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[N@H+](CCc1cscn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294917626 529938461 /nfs/dbraw/zinc/93/84/61/529938461.db2.gz IFQNQVVEAHTXST-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[N@@H+](CCc1cscn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294917626 529938463 /nfs/dbraw/zinc/93/84/63/529938463.db2.gz IFQNQVVEAHTXST-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cscn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294917626 529938465 /nfs/dbraw/zinc/93/84/65/529938465.db2.gz IFQNQVVEAHTXST-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cscn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294917626 529938466 /nfs/dbraw/zinc/93/84/66/529938466.db2.gz IFQNQVVEAHTXST-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH2+]CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000435883059 529964892 /nfs/dbraw/zinc/96/48/92/529964892.db2.gz IOXWCABLWMLWBX-LBPRGKRZSA-N 2 1 303.233 3.056 20 0 DGADMP C[NH2+]CCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000435883059 529964894 /nfs/dbraw/zinc/96/48/94/529964894.db2.gz IOXWCABLWMLWBX-LBPRGKRZSA-N 2 1 303.233 3.056 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423268762 529986102 /nfs/dbraw/zinc/98/61/02/529986102.db2.gz GKBSSGGOSRUPSI-NXEZZACHSA-N 2 1 306.784 3.448 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCSc3ccccc3F)C2)C1 ZINC000293085682 530065431 /nfs/dbraw/zinc/06/54/31/530065431.db2.gz WPXOCKBJDVERNW-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCSc3ccccc3F)C2)C1 ZINC000293085682 530065432 /nfs/dbraw/zinc/06/54/32/530065432.db2.gz WPXOCKBJDVERNW-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCSc3ccccc3F)C2)C1 ZINC000293085682 530065433 /nfs/dbraw/zinc/06/54/33/530065433.db2.gz WPXOCKBJDVERNW-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCSc3ccccc3F)C2)C1 ZINC000293085682 530065434 /nfs/dbraw/zinc/06/54/34/530065434.db2.gz WPXOCKBJDVERNW-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP CN(Cc1ccc(Br)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104096147 432014497 /nfs/dbraw/zinc/01/44/97/432014497.db2.gz GSUJREQIHUPNSY-LLVKDONJSA-N 2 1 317.296 3.284 20 0 DGADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CCC2 ZINC000121495341 185809039 /nfs/dbraw/zinc/80/90/39/185809039.db2.gz OUBGGNUUSWAWCW-FZMZJTMJSA-N 2 1 304.463 3.260 20 0 DGADMP CC[C@@H](O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000130279428 432019252 /nfs/dbraw/zinc/01/92/52/432019252.db2.gz ASBHKURUQKDPSK-LJQANCHMSA-N 2 1 315.461 3.245 20 0 DGADMP CC[C@@H](O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000130279428 432019255 /nfs/dbraw/zinc/01/92/55/432019255.db2.gz ASBHKURUQKDPSK-LJQANCHMSA-N 2 1 315.461 3.245 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000279927994 215244641 /nfs/dbraw/zinc/24/46/41/215244641.db2.gz MXSHSINNTSRZKS-OAHLLOKOSA-N 2 1 323.444 3.112 20 0 DGADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150752123 186063431 /nfs/dbraw/zinc/06/34/31/186063431.db2.gz AZUVOXDZBCSLGF-HNNXBMFYSA-N 2 1 313.420 3.292 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150752123 186063432 /nfs/dbraw/zinc/06/34/32/186063432.db2.gz AZUVOXDZBCSLGF-HNNXBMFYSA-N 2 1 313.420 3.292 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152432837 186072241 /nfs/dbraw/zinc/07/22/41/186072241.db2.gz CQIBVCCSSVICNV-RDJZCZTQSA-N 2 1 324.472 3.316 20 0 DGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152435486 186072290 /nfs/dbraw/zinc/07/22/90/186072290.db2.gz UKVVAZMHQBAENZ-LPHOPBHVSA-N 2 1 304.453 3.467 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000280029291 215323155 /nfs/dbraw/zinc/32/31/55/215323155.db2.gz UOCQZKJBRRDYSG-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000280029291 215323159 /nfs/dbraw/zinc/32/31/59/215323159.db2.gz UOCQZKJBRRDYSG-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000188013855 186243793 /nfs/dbraw/zinc/24/37/93/186243793.db2.gz WEWBVODVEWGXES-POZUXBRTSA-N 2 1 313.445 3.382 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000194274644 186275809 /nfs/dbraw/zinc/27/58/09/186275809.db2.gz BOQLHMYLJANTHD-OAHLLOKOSA-N 2 1 316.474 3.047 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000194274644 186275810 /nfs/dbraw/zinc/27/58/10/186275810.db2.gz BOQLHMYLJANTHD-OAHLLOKOSA-N 2 1 316.474 3.047 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287193161 219371178 /nfs/dbraw/zinc/37/11/78/219371178.db2.gz VYVGKGHNWHTYTQ-MTFMMBMASA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000268751045 186378246 /nfs/dbraw/zinc/37/82/46/186378246.db2.gz HVCFHTBMHZCIEA-HNNXBMFYSA-N 2 1 306.450 3.229 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000268751045 186378248 /nfs/dbraw/zinc/37/82/48/186378248.db2.gz HVCFHTBMHZCIEA-HNNXBMFYSA-N 2 1 306.450 3.229 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000280092585 215369072 /nfs/dbraw/zinc/36/90/72/215369072.db2.gz NTGIQJZBLCTYFZ-INIZCTEOSA-N 2 1 322.493 3.175 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000173491068 198220568 /nfs/dbraw/zinc/22/05/68/198220568.db2.gz HATIBKPQFSFYQW-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000173491068 198220570 /nfs/dbraw/zinc/22/05/70/198220570.db2.gz HATIBKPQFSFYQW-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491068 198220572 /nfs/dbraw/zinc/22/05/72/198220572.db2.gz HATIBKPQFSFYQW-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491068 198220573 /nfs/dbraw/zinc/22/05/73/198220573.db2.gz HATIBKPQFSFYQW-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H](NC1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131018027 432031790 /nfs/dbraw/zinc/03/17/90/432031790.db2.gz SBWLPBJSYKVLDQ-JTQLQIEISA-N 2 1 315.230 3.333 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131018027 432031792 /nfs/dbraw/zinc/03/17/92/432031792.db2.gz SBWLPBJSYKVLDQ-JTQLQIEISA-N 2 1 315.230 3.333 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)[C@H](C)C1 ZINC000174628919 198362021 /nfs/dbraw/zinc/36/20/21/198362021.db2.gz WVYNAJRDYATTFC-IUODEOHRSA-N 2 1 311.267 3.269 20 0 DGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727004 198376514 /nfs/dbraw/zinc/37/65/14/198376514.db2.gz ACSJKKHPJVZURH-SFHVURJKSA-N 2 1 323.912 3.360 20 0 DGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000132363923 432048539 /nfs/dbraw/zinc/04/85/39/432048539.db2.gz GGXNAFWSOXLMPK-HCXYKTFWSA-N 2 1 309.542 3.205 20 0 DGADMP C[C@H](CNc1cc[nH+]c(N2CCCCC2)n1)C[NH+]1CCCCC1 ZINC000498897391 540221944 /nfs/dbraw/zinc/22/19/44/540221944.db2.gz QPWOIXWWNSCSNU-MRXNPFEDSA-N 2 1 317.481 3.001 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165243133 432054755 /nfs/dbraw/zinc/05/47/55/432054755.db2.gz VPLNVJWESGNETC-WSTZPKSXSA-N 2 1 318.505 3.344 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304236 432055889 /nfs/dbraw/zinc/05/58/89/432055889.db2.gz MSRIJWOXGOXTDH-WBVHZDCISA-N 2 1 315.486 3.358 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304236 432055892 /nfs/dbraw/zinc/05/58/92/432055892.db2.gz MSRIJWOXGOXTDH-WBVHZDCISA-N 2 1 315.486 3.358 20 0 DGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000166132595 432058862 /nfs/dbraw/zinc/05/88/62/432058862.db2.gz IQLSWRZKZOUNKH-ZWOKBUDYSA-N 2 1 314.473 3.228 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166321552 432060084 /nfs/dbraw/zinc/06/00/84/432060084.db2.gz HUQARCDKMNOUNT-LJQANCHMSA-N 2 1 302.462 3.073 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000133318033 432060533 /nfs/dbraw/zinc/06/05/33/432060533.db2.gz FEIFAAMVFYSKEA-HKUYNNGSSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)CC[N@H+]1C ZINC000248066633 297284499 /nfs/dbraw/zinc/28/44/99/297284499.db2.gz ZSGOQCOMNJAZLA-JKIFEVAISA-N 2 1 309.885 3.015 20 0 DGADMP CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000166799199 432063332 /nfs/dbraw/zinc/06/33/32/432063332.db2.gz ADNLPKXBWJQDJM-HOCLYGCPSA-N 2 1 301.434 3.240 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000167858486 432066974 /nfs/dbraw/zinc/06/69/74/432066974.db2.gz PKMQKLOPNZQMCQ-BQFCYCMXSA-N 2 1 303.494 3.046 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000168612062 432069873 /nfs/dbraw/zinc/06/98/73/432069873.db2.gz BLAUIOATQFWDMV-GZBFAFLISA-N 2 1 312.404 3.415 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000168612062 432069875 /nfs/dbraw/zinc/06/98/75/432069875.db2.gz BLAUIOATQFWDMV-GZBFAFLISA-N 2 1 312.404 3.415 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000414690023 283281020 /nfs/dbraw/zinc/28/10/20/283281020.db2.gz HFQUYKUYRPLDMQ-YESZJQIVSA-N 2 1 317.477 3.114 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000179268063 199006988 /nfs/dbraw/zinc/00/69/88/199006988.db2.gz BHDRMPJLSBQPHF-OAHLLOKOSA-N 2 1 324.415 3.292 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000179268063 199006989 /nfs/dbraw/zinc/00/69/89/199006989.db2.gz BHDRMPJLSBQPHF-OAHLLOKOSA-N 2 1 324.415 3.292 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000276738516 213078998 /nfs/dbraw/zinc/07/89/98/213078998.db2.gz YURUUHFYFWVCNL-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276690544 213049785 /nfs/dbraw/zinc/04/97/85/213049785.db2.gz SACIPUXLYRACIH-HNNXBMFYSA-N 2 1 301.434 3.348 20 0 DGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000180393302 199153501 /nfs/dbraw/zinc/15/35/01/199153501.db2.gz FTMQZJJOFJADHQ-QGZVFWFLSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000180393302 199153503 /nfs/dbraw/zinc/15/35/03/199153503.db2.gz FTMQZJJOFJADHQ-QGZVFWFLSA-N 2 1 324.472 3.005 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1F ZINC000180577271 199179211 /nfs/dbraw/zinc/17/92/11/199179211.db2.gz MUXNWQJKIDHUGA-HNAYVOBHSA-N 2 1 320.452 3.367 20 0 DGADMP C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422956859 299285837 /nfs/dbraw/zinc/28/58/37/299285837.db2.gz MFAGCDDQSSFLDX-YOEHRIQHSA-N 2 1 322.880 3.118 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415052243 237038949 /nfs/dbraw/zinc/03/89/49/237038949.db2.gz MWMCJAAKMXKEBJ-SJLPKXTDSA-N 2 1 310.445 3.041 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415052243 237038957 /nfs/dbraw/zinc/03/89/57/237038957.db2.gz MWMCJAAKMXKEBJ-SJLPKXTDSA-N 2 1 310.445 3.041 20 0 DGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OCC(C)C ZINC000415056674 237043611 /nfs/dbraw/zinc/04/36/11/237043611.db2.gz QDVRTZPHOAGVNT-QGZVFWFLSA-N 2 1 308.466 3.193 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415039050 237025252 /nfs/dbraw/zinc/02/52/52/237025252.db2.gz IQQFJRNCSRRVLF-DLBZAZTESA-N 2 1 318.461 3.058 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415038551 237027161 /nfs/dbraw/zinc/02/71/61/237027161.db2.gz HYFZAKHHXWISGM-SJLPKXTDSA-N 2 1 318.509 3.219 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415051614 237033606 /nfs/dbraw/zinc/03/36/06/237033606.db2.gz MFVBXAJUIVDHHF-RDJZCZTQSA-N 2 1 324.415 3.295 20 0 DGADMP OCCC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1 ZINC000415089783 237074464 /nfs/dbraw/zinc/07/44/64/237074464.db2.gz YBUPVFWWNVEWTE-ROUUACIJSA-N 2 1 302.462 3.012 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)c2)cc1 ZINC000415101063 237078550 /nfs/dbraw/zinc/07/85/50/237078550.db2.gz BOJLLGLCHLTKCY-FQEVSTJZSA-N 2 1 310.441 3.212 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000186838019 200020258 /nfs/dbraw/zinc/02/02/58/200020258.db2.gz POVVVMQUXYREFJ-RDJZCZTQSA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000186838019 200020260 /nfs/dbraw/zinc/02/02/60/200020260.db2.gz POVVVMQUXYREFJ-RDJZCZTQSA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000186838019 200020261 /nfs/dbraw/zinc/02/02/61/200020261.db2.gz POVVVMQUXYREFJ-RDJZCZTQSA-N 2 1 322.468 3.287 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccccc2s1 ZINC000187821640 200161419 /nfs/dbraw/zinc/16/14/19/200161419.db2.gz LWXUXUAFBSKHRI-AWEZNQCLSA-N 2 1 318.486 3.399 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000237526980 202271731 /nfs/dbraw/zinc/27/17/31/202271731.db2.gz XACFIIXBGOORPL-YJBOKZPZSA-N 2 1 315.461 3.142 20 0 DGADMP C[C@@H](O)C[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281120235 216091686 /nfs/dbraw/zinc/09/16/86/216091686.db2.gz XNFFOXVXNFGHMT-QREPNTDJSA-N 2 1 318.505 3.426 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000428206141 238011801 /nfs/dbraw/zinc/01/18/01/238011801.db2.gz MIRRDQUZZGKMJE-HNNXBMFYSA-N 2 1 302.422 3.276 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000428206141 238011803 /nfs/dbraw/zinc/01/18/03/238011803.db2.gz MIRRDQUZZGKMJE-HNNXBMFYSA-N 2 1 302.422 3.276 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430555167 238079685 /nfs/dbraw/zinc/07/96/85/238079685.db2.gz SDNUMRJBSAUYLK-OLZOCXBDSA-N 2 1 316.367 3.143 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc2)n1 ZINC000430587215 238081053 /nfs/dbraw/zinc/08/10/53/238081053.db2.gz VKGLDOFFKYSMIM-LJQANCHMSA-N 2 1 314.477 3.294 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1Cc1ccccc1 ZINC000430811981 238087232 /nfs/dbraw/zinc/08/72/32/238087232.db2.gz STIRUYQPKSALKR-WMZOPIPTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@H+]1Cc1ccccc1 ZINC000430811981 238087233 /nfs/dbraw/zinc/08/72/33/238087233.db2.gz STIRUYQPKSALKR-WMZOPIPTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811981 238087234 /nfs/dbraw/zinc/08/72/34/238087234.db2.gz STIRUYQPKSALKR-WMZOPIPTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811981 238087235 /nfs/dbraw/zinc/08/72/35/238087235.db2.gz STIRUYQPKSALKR-WMZOPIPTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCO1 ZINC000432369176 238126457 /nfs/dbraw/zinc/12/64/57/238126457.db2.gz UHJVTAABKPNIOZ-KFWWJZLASA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCO1 ZINC000432369176 238126458 /nfs/dbraw/zinc/12/64/58/238126458.db2.gz UHJVTAABKPNIOZ-KFWWJZLASA-N 2 1 322.415 3.198 20 0 DGADMP Cc1cccnc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684660 238229909 /nfs/dbraw/zinc/22/99/09/238229909.db2.gz MHMXDXJSESUMCB-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP Cc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000434692323 238231826 /nfs/dbraw/zinc/23/18/26/238231826.db2.gz XBYPPZJBMYIBMM-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000194207257 201196846 /nfs/dbraw/zinc/19/68/46/201196846.db2.gz FFEKGJNFICJFJC-IBGZPJMESA-N 2 1 317.521 3.188 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751162 239118726 /nfs/dbraw/zinc/11/87/26/239118726.db2.gz BSLREUOUULKWFH-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751162 239118735 /nfs/dbraw/zinc/11/87/35/239118735.db2.gz BSLREUOUULKWFH-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055273 239168359 /nfs/dbraw/zinc/16/83/59/239168359.db2.gz BBYIHHAIKYQFTK-ZDUSSCGKSA-N 2 1 305.447 3.272 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000443066989 239170079 /nfs/dbraw/zinc/17/00/79/239170079.db2.gz GFUROSFNMLZIKD-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000443196135 239183081 /nfs/dbraw/zinc/18/30/81/239183081.db2.gz KLFXRGIBAACAQF-DFEOGRTESA-N 2 1 303.494 3.059 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000271831563 209251678 /nfs/dbraw/zinc/25/16/78/209251678.db2.gz AHPMRBKBMPOMJH-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000271831563 209251682 /nfs/dbraw/zinc/25/16/82/209251682.db2.gz AHPMRBKBMPOMJH-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000271831560 209251036 /nfs/dbraw/zinc/25/10/36/209251036.db2.gz AHPMRBKBMPOMJH-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000271831560 209251039 /nfs/dbraw/zinc/25/10/39/209251039.db2.gz AHPMRBKBMPOMJH-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000268547844 432102483 /nfs/dbraw/zinc/10/24/83/432102483.db2.gz MNBYVRPFUHXMEV-QZTJIDSGSA-N 2 1 302.462 3.359 20 0 DGADMP CC(C)[C@@H](O)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000271811128 209235292 /nfs/dbraw/zinc/23/52/92/209235292.db2.gz AUVOMNKQQHYKIW-LJQANCHMSA-N 2 1 316.489 3.038 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000449071624 240002085 /nfs/dbraw/zinc/00/20/85/240002085.db2.gz BSDZVIRGGXDFNC-HNNXBMFYSA-N 2 1 310.441 3.422 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449105464 240020220 /nfs/dbraw/zinc/02/02/20/240020220.db2.gz IBCYPHQWTHZLOJ-QGZVFWFLSA-N 2 1 318.461 3.060 20 0 DGADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000449092025 240013232 /nfs/dbraw/zinc/01/32/32/240013232.db2.gz KZCFGVVUCPOUCX-JKSUJKDBSA-N 2 1 317.477 3.388 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000449166910 240049510 /nfs/dbraw/zinc/04/95/10/240049510.db2.gz GZFZSSKZEQZKEJ-NEWSRXKRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000449166910 240049514 /nfs/dbraw/zinc/04/95/14/240049514.db2.gz GZFZSSKZEQZKEJ-NEWSRXKRSA-N 2 1 318.505 3.284 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000449438038 240204072 /nfs/dbraw/zinc/20/40/72/240204072.db2.gz OAVDYFDGAFKHSG-MTQWCTHYSA-N 2 1 314.473 3.056 20 0 DGADMP Fc1cc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000449487640 240238131 /nfs/dbraw/zinc/23/81/31/240238131.db2.gz ZRMYKLQEJKNDAR-STQMWFEESA-N 2 1 312.816 3.074 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449584207 240305088 /nfs/dbraw/zinc/30/50/88/240305088.db2.gz CQCAMCVNEXCYSC-IJXRJRJASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449584207 240305092 /nfs/dbraw/zinc/30/50/92/240305092.db2.gz CQCAMCVNEXCYSC-IJXRJRJASA-N 2 1 316.489 3.180 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)CC[C@@H]21 ZINC000092043184 193145649 /nfs/dbraw/zinc/14/56/49/193145649.db2.gz IMWRMJWZYGYHEO-RDJZCZTQSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CC[C@@H]21 ZINC000092043184 193145651 /nfs/dbraw/zinc/14/56/51/193145651.db2.gz IMWRMJWZYGYHEO-RDJZCZTQSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CC[C@@H]21 ZINC000092043184 193145652 /nfs/dbraw/zinc/14/56/52/193145652.db2.gz IMWRMJWZYGYHEO-RDJZCZTQSA-N 2 1 324.415 3.247 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066852 193151646 /nfs/dbraw/zinc/15/16/46/193151646.db2.gz ZLPZRSAMGZCTCI-VQIMIIECSA-N 2 1 300.446 3.144 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066852 193151648 /nfs/dbraw/zinc/15/16/48/193151648.db2.gz ZLPZRSAMGZCTCI-VQIMIIECSA-N 2 1 300.446 3.144 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066852 193151649 /nfs/dbraw/zinc/15/16/49/193151649.db2.gz ZLPZRSAMGZCTCI-VQIMIIECSA-N 2 1 300.446 3.144 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000246218713 432109521 /nfs/dbraw/zinc/10/95/21/432109521.db2.gz GMIDIGWOKKFRMS-MAUKXSAKSA-N 2 1 315.461 3.142 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091335731 284000454 /nfs/dbraw/zinc/00/04/54/284000454.db2.gz BFAIGFNAABGNAR-BLLLJJGKSA-N 2 1 323.278 3.368 20 0 DGADMP CC[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000091929867 284004267 /nfs/dbraw/zinc/00/42/67/284004267.db2.gz SGAYHWVTTPJLIQ-KRWDZBQOSA-N 2 1 315.505 3.449 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770613 284014536 /nfs/dbraw/zinc/01/45/36/284014536.db2.gz KZCNRHOSBVWEAB-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770613 284014537 /nfs/dbraw/zinc/01/45/37/284014537.db2.gz KZCNRHOSBVWEAB-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770613 284014538 /nfs/dbraw/zinc/01/45/38/284014538.db2.gz KZCNRHOSBVWEAB-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770613 284014539 /nfs/dbraw/zinc/01/45/39/284014539.db2.gz KZCNRHOSBVWEAB-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000459392008 243356164 /nfs/dbraw/zinc/35/61/64/243356164.db2.gz STMIYJSZQGLKRY-NSHDSACASA-N 2 1 306.479 3.011 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(COC)on2)CC1 ZINC000459457109 243377268 /nfs/dbraw/zinc/37/72/68/243377268.db2.gz FPHCFHGYZXJARZ-UHFFFAOYSA-N 2 1 323.481 3.155 20 0 DGADMP C[C@H](NCc1cnc(C2CC2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459240 243377715 /nfs/dbraw/zinc/37/77/15/243377715.db2.gz HYWYESUKRZGGGG-YOEHRIQHSA-N 2 1 314.477 3.097 20 0 DGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459459240 243377720 /nfs/dbraw/zinc/37/77/20/243377720.db2.gz HYWYESUKRZGGGG-YOEHRIQHSA-N 2 1 314.477 3.097 20 0 DGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459240 243377724 /nfs/dbraw/zinc/37/77/24/243377724.db2.gz HYWYESUKRZGGGG-YOEHRIQHSA-N 2 1 314.477 3.097 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[NH+]1CCCC1 ZINC000459468126 243380131 /nfs/dbraw/zinc/38/01/31/243380131.db2.gz QXGSNALMKGRSNK-UHFFFAOYSA-N 2 1 318.490 3.157 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459422345 243364444 /nfs/dbraw/zinc/36/44/44/243364444.db2.gz XUXRBXUZIQRIML-INIZCTEOSA-N 3 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(OCC)cc2)CC1 ZINC000109787439 284069967 /nfs/dbraw/zinc/06/99/67/284069967.db2.gz UPGPAWKQDKTJIJ-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)Oc1cccc(C)c1 ZINC000246321538 432118286 /nfs/dbraw/zinc/11/82/86/432118286.db2.gz FIMNHUWMZJKFEC-ZHALLVOQSA-N 2 1 304.478 3.472 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085932 244083396 /nfs/dbraw/zinc/08/33/96/244083396.db2.gz QIYBYOMRKQXWDN-RLLQIKCJSA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085932 244083398 /nfs/dbraw/zinc/08/33/98/244083398.db2.gz QIYBYOMRKQXWDN-RLLQIKCJSA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085932 244083401 /nfs/dbraw/zinc/08/34/01/244083401.db2.gz QIYBYOMRKQXWDN-RLLQIKCJSA-N 2 1 321.553 3.351 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000470019988 244139964 /nfs/dbraw/zinc/13/99/64/244139964.db2.gz WDERNGPDFXXLNN-STQMWFEESA-N 2 1 311.267 3.094 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000470019988 244139967 /nfs/dbraw/zinc/13/99/67/244139967.db2.gz WDERNGPDFXXLNN-STQMWFEESA-N 2 1 311.267 3.094 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275099514 212120265 /nfs/dbraw/zinc/12/02/65/212120265.db2.gz CKMMTJMQBHAAQZ-OJAHFUOMSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093088611 193201577 /nfs/dbraw/zinc/20/15/77/193201577.db2.gz HQODVJYRNVWWOD-UHFFFAOYSA-N 2 1 312.461 3.159 20 0 DGADMP COCCCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836142 244257032 /nfs/dbraw/zinc/25/70/32/244257032.db2.gz HYAYYMFUTDPJFN-RBUKOAKNSA-N 2 1 304.478 3.085 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000472277318 244293911 /nfs/dbraw/zinc/29/39/11/244293911.db2.gz MXBJQLWTWOGVBD-HKUYNNGSSA-N 2 1 304.478 3.223 20 0 DGADMP C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105381 284134727 /nfs/dbraw/zinc/13/47/27/284134727.db2.gz JNYSSPWTLYPVOE-QZTJIDSGSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119105381 284134730 /nfs/dbraw/zinc/13/47/30/284134730.db2.gz JNYSSPWTLYPVOE-QZTJIDSGSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105381 284134733 /nfs/dbraw/zinc/13/47/33/284134733.db2.gz JNYSSPWTLYPVOE-QZTJIDSGSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471583 244305426 /nfs/dbraw/zinc/30/54/26/244305426.db2.gz TWKSYXCIVHIMAQ-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472471583 244305429 /nfs/dbraw/zinc/30/54/29/244305429.db2.gz TWKSYXCIVHIMAQ-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472471583 244305431 /nfs/dbraw/zinc/30/54/31/244305431.db2.gz TWKSYXCIVHIMAQ-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472471583 244305432 /nfs/dbraw/zinc/30/54/32/244305432.db2.gz TWKSYXCIVHIMAQ-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471583 244305435 /nfs/dbraw/zinc/30/54/35/244305435.db2.gz TWKSYXCIVHIMAQ-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP COc1ccc(CCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000472857789 244317962 /nfs/dbraw/zinc/31/79/62/244317962.db2.gz PDYJLPMJNIUNCQ-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccc(CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000472857789 244317966 /nfs/dbraw/zinc/31/79/66/244317966.db2.gz PDYJLPMJNIUNCQ-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccc(CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000472857789 244317969 /nfs/dbraw/zinc/31/79/69/244317969.db2.gz PDYJLPMJNIUNCQ-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000120979647 284183942 /nfs/dbraw/zinc/18/39/42/284183942.db2.gz DYNNIUVKLXZTQI-FQEVSTJZSA-N 2 1 314.473 3.233 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000135475602 432121815 /nfs/dbraw/zinc/12/18/15/432121815.db2.gz FESVWZXRWHNSFS-SWLSCSKDSA-N 2 1 311.267 3.187 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000488048114 245138875 /nfs/dbraw/zinc/13/88/75/245138875.db2.gz MYBHBDAVRXKBIB-CWQOZTLDSA-N 2 1 320.521 3.290 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000488048114 245138879 /nfs/dbraw/zinc/13/88/79/245138879.db2.gz MYBHBDAVRXKBIB-CWQOZTLDSA-N 2 1 320.521 3.290 20 0 DGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000264635169 204042860 /nfs/dbraw/zinc/04/28/60/204042860.db2.gz UTOYIRPTBJKFMM-ZDUSSCGKSA-N 2 1 319.474 3.243 20 0 DGADMP CCC[N@H+](CC)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000124275894 284256140 /nfs/dbraw/zinc/25/61/40/284256140.db2.gz PZHCREKNMATVQQ-UHFFFAOYSA-N 2 1 312.498 3.208 20 0 DGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000124275894 284256141 /nfs/dbraw/zinc/25/61/41/284256141.db2.gz PZHCREKNMATVQQ-UHFFFAOYSA-N 2 1 312.498 3.208 20 0 DGADMP COCC[NH+]1CCC(N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000268705062 432124002 /nfs/dbraw/zinc/12/40/02/432124002.db2.gz BMJJTEXHYVBEDC-CQSZACIVSA-N 2 1 302.418 3.194 20 0 DGADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282462630 217013842 /nfs/dbraw/zinc/01/38/42/217013842.db2.gz OQPRGLPYVKOMFP-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282462630 217013844 /nfs/dbraw/zinc/01/38/44/217013844.db2.gz OQPRGLPYVKOMFP-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccc(C)c1 ZINC000246386374 432125002 /nfs/dbraw/zinc/12/50/02/432125002.db2.gz AKKPIQXBCIYILI-ZHALLVOQSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282589330 217108759 /nfs/dbraw/zinc/10/87/59/217108759.db2.gz WVSUODJNSZARPA-QGZVFWFLSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282589330 217108763 /nfs/dbraw/zinc/10/87/63/217108763.db2.gz WVSUODJNSZARPA-QGZVFWFLSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268726978 432126429 /nfs/dbraw/zinc/12/64/29/432126429.db2.gz RKBPTCYIAOKYEW-HKUYNNGSSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268726978 432126433 /nfs/dbraw/zinc/12/64/33/432126433.db2.gz RKBPTCYIAOKYEW-HKUYNNGSSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268726979 432127042 /nfs/dbraw/zinc/12/70/42/432127042.db2.gz RKBPTCYIAOKYEW-IEBWSBKVSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268726979 432127044 /nfs/dbraw/zinc/12/70/44/432127044.db2.gz RKBPTCYIAOKYEW-IEBWSBKVSA-N 2 1 304.478 3.444 20 0 DGADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000127392509 284337845 /nfs/dbraw/zinc/33/78/45/284337845.db2.gz ZSGDHYOTUHPAHH-IBGZPJMESA-N 2 1 315.461 3.101 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000127392509 284337850 /nfs/dbraw/zinc/33/78/50/284337850.db2.gz ZSGDHYOTUHPAHH-IBGZPJMESA-N 2 1 315.461 3.101 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000127392509 284337853 /nfs/dbraw/zinc/33/78/53/284337853.db2.gz ZSGDHYOTUHPAHH-IBGZPJMESA-N 2 1 315.461 3.101 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000266144736 205134655 /nfs/dbraw/zinc/13/46/55/205134655.db2.gz ILZNMCRIWJXRDD-GOEBONIOSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000266144736 205134658 /nfs/dbraw/zinc/13/46/58/205134658.db2.gz ILZNMCRIWJXRDD-GOEBONIOSA-N 2 1 306.450 3.056 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccccc1Br ZINC000271674200 209117162 /nfs/dbraw/zinc/11/71/62/209117162.db2.gz ABNKQKWWBRFLHM-UHFFFAOYSA-N 2 1 322.250 3.479 20 0 DGADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128284714 284370204 /nfs/dbraw/zinc/37/02/04/284370204.db2.gz ZFELERYIICGMIH-MOPGFXCFSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000129075541 284396762 /nfs/dbraw/zinc/39/67/62/284396762.db2.gz RLQXEGBWOBPPPY-RYQLBKOJSA-N 2 1 319.468 3.033 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000129075541 284396764 /nfs/dbraw/zinc/39/67/64/284396764.db2.gz RLQXEGBWOBPPPY-RYQLBKOJSA-N 2 1 319.468 3.033 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781988 432133163 /nfs/dbraw/zinc/13/31/63/432133163.db2.gz PZPDGBSZDZFEHO-BHYGNILZSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781988 432133167 /nfs/dbraw/zinc/13/31/67/432133167.db2.gz PZPDGBSZDZFEHO-BHYGNILZSA-N 2 1 316.445 3.125 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493945874 246098410 /nfs/dbraw/zinc/09/84/10/246098410.db2.gz VEZYHECADAKHFF-ZJPYXAASSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493945874 246098419 /nfs/dbraw/zinc/09/84/19/246098419.db2.gz VEZYHECADAKHFF-ZJPYXAASSA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494887752 246207411 /nfs/dbraw/zinc/20/74/11/246207411.db2.gz FGITWNTWBCAKJB-GPMSIDNRSA-N 2 1 320.452 3.225 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267514570 206118549 /nfs/dbraw/zinc/11/85/49/206118549.db2.gz LCVXWJLMXOTOQW-IEBWSBKVSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267514570 206118554 /nfs/dbraw/zinc/11/85/54/206118554.db2.gz LCVXWJLMXOTOQW-IEBWSBKVSA-N 2 1 316.489 3.324 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000495125729 246238010 /nfs/dbraw/zinc/23/80/10/246238010.db2.gz CBSGFXVZPLPIJX-IEBWSBKVSA-N 2 1 302.462 3.247 20 0 DGADMP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000495617452 246287157 /nfs/dbraw/zinc/28/71/57/246287157.db2.gz IMMBDGMVTOZMCD-UHFFFAOYSA-N 2 1 319.449 3.217 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000268793813 432136804 /nfs/dbraw/zinc/13/68/04/432136804.db2.gz VVZLITFVMJFZSM-BHYGNILZSA-N 2 1 318.461 3.290 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000268793813 432136806 /nfs/dbraw/zinc/13/68/06/432136806.db2.gz VVZLITFVMJFZSM-BHYGNILZSA-N 2 1 318.461 3.290 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000268800925 432137153 /nfs/dbraw/zinc/13/71/53/432137153.db2.gz ANWMYAHOMDXHQE-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000268800925 432137156 /nfs/dbraw/zinc/13/71/56/432137156.db2.gz ANWMYAHOMDXHQE-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000268800925 432137161 /nfs/dbraw/zinc/13/71/61/432137161.db2.gz ANWMYAHOMDXHQE-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000268802013 432137528 /nfs/dbraw/zinc/13/75/28/432137528.db2.gz BFNOJXUKGUGXMJ-TZMCWYRMSA-N 2 1 300.368 3.320 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268802659 432138299 /nfs/dbraw/zinc/13/82/99/432138299.db2.gz JTOGVIFZXGYTRL-WBVHZDCISA-N 2 1 315.486 3.328 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000268803997 432138597 /nfs/dbraw/zinc/13/85/97/432138597.db2.gz FFGDRSGTFMHIMU-FXAWDEMLSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000268803997 432138598 /nfs/dbraw/zinc/13/85/98/432138598.db2.gz FFGDRSGTFMHIMU-FXAWDEMLSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000268807479 432139103 /nfs/dbraw/zinc/13/91/03/432139103.db2.gz GEOGLTVUPQHVDI-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246525634 432139333 /nfs/dbraw/zinc/13/93/33/432139333.db2.gz UZGQBBVQPZZYLS-WOJBJXKFSA-N 2 1 318.505 3.202 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246547012 432141728 /nfs/dbraw/zinc/14/17/28/432141728.db2.gz WFWNLBGFYGWMOW-VQIMIIECSA-N 2 1 304.478 3.338 20 0 DGADMP CC1CC[NH+](CCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246574595 432145605 /nfs/dbraw/zinc/14/56/05/432145605.db2.gz HWHMMBAVUZFGNB-UXHICEINSA-N 2 1 321.553 3.305 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000268916999 432146573 /nfs/dbraw/zinc/14/65/73/432146573.db2.gz SSKBMUARQRLONI-UHOSZYNNSA-N 2 1 304.478 3.158 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000268916999 432146574 /nfs/dbraw/zinc/14/65/74/432146574.db2.gz SSKBMUARQRLONI-UHOSZYNNSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000246594466 432146921 /nfs/dbraw/zinc/14/69/21/432146921.db2.gz ZRAHUVBQFQIKRH-SZOQZIPDSA-N 2 1 310.869 3.426 20 0 DGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000268887157 432147367 /nfs/dbraw/zinc/14/73/67/432147367.db2.gz NZXZVCUECVIKCI-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000268887157 432147375 /nfs/dbraw/zinc/14/73/75/432147375.db2.gz NZXZVCUECVIKCI-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000181941628 432150327 /nfs/dbraw/zinc/15/03/27/432150327.db2.gz NFMSAUJRQPXWHP-SUMWQHHRSA-N 2 1 304.409 3.113 20 0 DGADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1SC ZINC000105442893 194103858 /nfs/dbraw/zinc/10/38/58/194103858.db2.gz XBPSZLFSWZBYBA-ZDUSSCGKSA-N 2 1 319.474 3.348 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000268736373 206937166 /nfs/dbraw/zinc/93/71/66/206937166.db2.gz BUANTVDOZPHNOQ-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268843581 207009679 /nfs/dbraw/zinc/00/96/79/207009679.db2.gz AWHOXATVYDTIAX-KBXCAEBGSA-N 2 1 301.434 3.382 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268837177 207003888 /nfs/dbraw/zinc/00/38/88/207003888.db2.gz UURVKDRGROPBJZ-JTQLQIEISA-N 2 1 313.323 3.283 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415123699 296314388 /nfs/dbraw/zinc/31/43/88/296314388.db2.gz QDVFZVJCGGBTQH-QGZVFWFLSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422880788 296314404 /nfs/dbraw/zinc/31/44/04/296314404.db2.gz MURKIPRRVAWYRN-AYOQOUSVSA-N 2 1 301.478 3.030 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000268901054 207068658 /nfs/dbraw/zinc/06/86/58/207068658.db2.gz KZKDONPOIRFSCV-WBVHZDCISA-N 2 1 320.502 3.050 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268891694 207062367 /nfs/dbraw/zinc/06/23/67/207062367.db2.gz DDEZIUIBDMBFCQ-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1Cc1ccccc1 ZINC000268891694 207062370 /nfs/dbraw/zinc/06/23/70/207062370.db2.gz DDEZIUIBDMBFCQ-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000268910660 207077097 /nfs/dbraw/zinc/07/70/97/207077097.db2.gz SLDCKPQISBXQGO-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000268910660 207077100 /nfs/dbraw/zinc/07/71/00/207077100.db2.gz SLDCKPQISBXQGO-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268910942 207079002 /nfs/dbraw/zinc/07/90/02/207079002.db2.gz RASHGUCOSCYICT-WDSOQIARSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268910942 207079006 /nfs/dbraw/zinc/07/90/06/207079006.db2.gz RASHGUCOSCYICT-WDSOQIARSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(O)CC2)C1 ZINC000285773685 218628765 /nfs/dbraw/zinc/62/87/65/218628765.db2.gz SZLUEJAIPFNMRG-DZIBYMRMSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000157075442 197159863 /nfs/dbraw/zinc/15/98/63/197159863.db2.gz QVZLGLYGKSIKJQ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000157075442 197159865 /nfs/dbraw/zinc/15/98/65/197159865.db2.gz QVZLGLYGKSIKJQ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157075442 197159867 /nfs/dbraw/zinc/15/98/67/197159867.db2.gz QVZLGLYGKSIKJQ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157075442 197159868 /nfs/dbraw/zinc/15/98/68/197159868.db2.gz QVZLGLYGKSIKJQ-WDSOQIARSA-N 2 1 302.462 3.150 20 0 DGADMP COc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157255778 197174281 /nfs/dbraw/zinc/17/42/81/197174281.db2.gz HUFXEENTKRUTJW-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157255778 197174283 /nfs/dbraw/zinc/17/42/83/197174283.db2.gz HUFXEENTKRUTJW-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000269137541 207268171 /nfs/dbraw/zinc/26/81/71/207268171.db2.gz VLAGYBFRWPNBNC-KRWDZBQOSA-N 2 1 301.459 3.372 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000269137541 207268173 /nfs/dbraw/zinc/26/81/73/207268173.db2.gz VLAGYBFRWPNBNC-KRWDZBQOSA-N 2 1 301.459 3.372 20 0 DGADMP COCCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000442773071 284923798 /nfs/dbraw/zinc/92/37/98/284923798.db2.gz CCGXXVMTAOBQEZ-KRWDZBQOSA-N 2 1 305.397 3.088 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539923 224077888 /nfs/dbraw/zinc/07/78/88/224077888.db2.gz KHOMSABNGLMXSJ-VROUVPMXSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539923 224077890 /nfs/dbraw/zinc/07/78/90/224077890.db2.gz KHOMSABNGLMXSJ-VROUVPMXSA-N 2 1 316.489 3.443 20 0 DGADMP Fc1ccccc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248762204 285024773 /nfs/dbraw/zinc/02/47/73/285024773.db2.gz WFZUJBQXYMOKTO-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248762204 285024774 /nfs/dbraw/zinc/02/47/74/285024774.db2.gz WFZUJBQXYMOKTO-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248762204 285024776 /nfs/dbraw/zinc/02/47/76/285024776.db2.gz WFZUJBQXYMOKTO-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248743080 285022271 /nfs/dbraw/zinc/02/22/71/285022271.db2.gz RUPBVURTMMHABF-AKHDSKFASA-N 2 1 320.521 3.292 20 0 DGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119700490 195020671 /nfs/dbraw/zinc/02/06/71/195020671.db2.gz ILBFJUZQROCSNW-LSDHHAIUSA-N 2 1 302.462 3.404 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000119713637 195024356 /nfs/dbraw/zinc/02/43/56/195024356.db2.gz KDJDVDSADKNHEJ-RNIPGJKVSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000119713637 195024358 /nfs/dbraw/zinc/02/43/58/195024358.db2.gz KDJDVDSADKNHEJ-RNIPGJKVSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000248967290 285041692 /nfs/dbraw/zinc/04/16/92/285041692.db2.gz BXERZGCRFZDVQO-YSDSKTICSA-N 2 1 316.489 3.300 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C ZINC000249048825 285049780 /nfs/dbraw/zinc/04/97/80/285049780.db2.gz WVCJGHRVHQRJDD-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C ZINC000249048825 285049784 /nfs/dbraw/zinc/04/97/84/285049784.db2.gz WVCJGHRVHQRJDD-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C ZINC000249048825 285049790 /nfs/dbraw/zinc/04/97/90/285049790.db2.gz WVCJGHRVHQRJDD-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000119919153 195062144 /nfs/dbraw/zinc/06/21/44/195062144.db2.gz QRLYNTUAYSCBHH-CQSZACIVSA-N 2 1 306.450 3.086 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000336852936 253007831 /nfs/dbraw/zinc/00/78/31/253007831.db2.gz BAESZCPOGASCJP-GUDVDZBRSA-N 3 1 307.526 3.009 20 0 DGADMP COc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000336855009 253008974 /nfs/dbraw/zinc/00/89/74/253008974.db2.gz TZFCVGSYTCLYDD-ZIAGYGMSSA-N 2 1 324.852 3.074 20 0 DGADMP COc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000336855008 253009004 /nfs/dbraw/zinc/00/90/04/253009004.db2.gz TZFCVGSYTCLYDD-UONOGXRCSA-N 2 1 324.852 3.074 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336874427 253017194 /nfs/dbraw/zinc/01/71/94/253017194.db2.gz WJDKAOICQQMSNN-UHFFFAOYSA-N 3 1 318.509 3.170 20 0 DGADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000337568810 253141047 /nfs/dbraw/zinc/14/10/47/253141047.db2.gz ZUOIGUCPZYXHDU-IAGOWNOFSA-N 2 1 324.415 3.401 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000337770513 253172203 /nfs/dbraw/zinc/17/22/03/253172203.db2.gz VDSOAURXAOBRCT-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000337770513 253172206 /nfs/dbraw/zinc/17/22/06/253172206.db2.gz VDSOAURXAOBRCT-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337746788 253168523 /nfs/dbraw/zinc/16/85/23/253168523.db2.gz GUWANZNPPPDHAY-OAHLLOKOSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337746787 253168536 /nfs/dbraw/zinc/16/85/36/253168536.db2.gz GUWANZNPPPDHAY-HNNXBMFYSA-N 2 1 316.367 3.145 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000338020356 253211710 /nfs/dbraw/zinc/21/17/10/253211710.db2.gz SJEVMCIOEJYSBB-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000338020356 253211711 /nfs/dbraw/zinc/21/17/11/253211711.db2.gz SJEVMCIOEJYSBB-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338186470 253239520 /nfs/dbraw/zinc/23/95/20/253239520.db2.gz AXVLUFVQJIESJH-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338186470 253239521 /nfs/dbraw/zinc/23/95/21/253239521.db2.gz AXVLUFVQJIESJH-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(c1)OCCO2 ZINC000338260224 253252697 /nfs/dbraw/zinc/25/26/97/253252697.db2.gz CZPRPUMZUHJUAN-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(c1)OCCO2 ZINC000338260224 253252698 /nfs/dbraw/zinc/25/26/98/253252698.db2.gz CZPRPUMZUHJUAN-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000159119302 197328877 /nfs/dbraw/zinc/32/88/77/197328877.db2.gz FDYYPNBEQVLIGX-INIZCTEOSA-N 2 1 320.477 3.155 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000339008931 253388229 /nfs/dbraw/zinc/38/82/29/253388229.db2.gz CMAHNPKGKPUJLC-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000339008931 253388230 /nfs/dbraw/zinc/38/82/30/253388230.db2.gz CMAHNPKGKPUJLC-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000339008931 253388232 /nfs/dbraw/zinc/38/82/32/253388232.db2.gz CMAHNPKGKPUJLC-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340239416 253585459 /nfs/dbraw/zinc/58/54/59/253585459.db2.gz NNLYBCUDIBHNMM-QZTJIDSGSA-N 2 1 308.510 3.316 20 0 DGADMP COc1ccc([C@@H](C)C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415061280 533097238 /nfs/dbraw/zinc/09/72/38/533097238.db2.gz ZYHAOPNUDBKPEO-RYGJVYDSSA-N 2 1 310.441 3.144 20 0 DGADMP Cc1cccc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)[nH+]1 ZINC000157896669 197224562 /nfs/dbraw/zinc/22/45/62/197224562.db2.gz SQRZBMSXCAXZCD-IAGOWNOFSA-N 2 1 317.477 3.106 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000342929327 254075827 /nfs/dbraw/zinc/07/58/27/254075827.db2.gz RDBZFVHGBXXDDM-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000342929327 254075828 /nfs/dbraw/zinc/07/58/28/254075828.db2.gz RDBZFVHGBXXDDM-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000342929327 254075830 /nfs/dbraw/zinc/07/58/30/254075830.db2.gz RDBZFVHGBXXDDM-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCOCC[N@H+](C)Cc1cccs1)Cc1cccs1 ZINC000343242430 254119555 /nfs/dbraw/zinc/11/95/55/254119555.db2.gz LJMWVMBYBRKIME-UHFFFAOYSA-N 2 1 324.515 3.390 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccsc1 ZINC000343596563 254165793 /nfs/dbraw/zinc/16/57/93/254165793.db2.gz ATOKEUHRDXACCL-UHFFFAOYSA-N 2 1 304.463 3.056 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccsc1 ZINC000343596563 254165794 /nfs/dbraw/zinc/16/57/94/254165794.db2.gz ATOKEUHRDXACCL-UHFFFAOYSA-N 2 1 304.463 3.056 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343529721 254156936 /nfs/dbraw/zinc/15/69/36/254156936.db2.gz CEEPYQSSSIXLOX-CVEARBPZSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343529721 254156938 /nfs/dbraw/zinc/15/69/38/254156938.db2.gz CEEPYQSSSIXLOX-CVEARBPZSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343529721 254156940 /nfs/dbraw/zinc/15/69/40/254156940.db2.gz CEEPYQSSSIXLOX-CVEARBPZSA-N 2 1 312.498 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000343627058 254170087 /nfs/dbraw/zinc/17/00/87/254170087.db2.gz USJRGVDQXZXMEC-UHFFFAOYSA-N 2 1 312.461 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000343627058 254170089 /nfs/dbraw/zinc/17/00/89/254170089.db2.gz USJRGVDQXZXMEC-UHFFFAOYSA-N 2 1 312.461 3.303 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009620 254212497 /nfs/dbraw/zinc/21/24/97/254212497.db2.gz BFSWROYWNOPPAQ-GOSISDBHSA-N 2 1 309.473 3.092 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000344624221 254290319 /nfs/dbraw/zinc/29/03/19/254290319.db2.gz IGJUTCOGWYOBLQ-MLGOLLRUSA-N 2 1 318.852 3.302 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000344844600 254310542 /nfs/dbraw/zinc/31/05/42/254310542.db2.gz SBMBJFFIHPEMSP-HOCLYGCPSA-N 2 1 324.538 3.199 20 0 DGADMP CC[N@H+](Cc1sc(C)nc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000345214179 254342074 /nfs/dbraw/zinc/34/20/74/254342074.db2.gz WSJXQBOZGIKRJO-NSHDSACASA-N 2 1 321.412 3.434 20 0 DGADMP CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000345214179 254342076 /nfs/dbraw/zinc/34/20/76/254342076.db2.gz WSJXQBOZGIKRJO-NSHDSACASA-N 2 1 321.412 3.434 20 0 DGADMP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000345246205 254345149 /nfs/dbraw/zinc/34/51/49/254345149.db2.gz ABCBHFCFBBSHNY-SOLBZPMBSA-N 2 1 319.880 3.135 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000271888502 285208203 /nfs/dbraw/zinc/20/82/03/285208203.db2.gz RIAPFABGEUWRCR-MRXNPFEDSA-N 2 1 321.262 3.288 20 0 DGADMP CCCCOCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272367717 285210810 /nfs/dbraw/zinc/21/08/10/285210810.db2.gz ALYLJADGGUGBJW-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208862 197095194 /nfs/dbraw/zinc/09/51/94/197095194.db2.gz OGOLPJBPXRRHQH-SOAMZJECSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208862 197095196 /nfs/dbraw/zinc/09/51/96/197095196.db2.gz OGOLPJBPXRRHQH-SOAMZJECSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208862 197095197 /nfs/dbraw/zinc/09/51/97/197095197.db2.gz OGOLPJBPXRRHQH-SOAMZJECSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208862 197095199 /nfs/dbraw/zinc/09/51/99/197095199.db2.gz OGOLPJBPXRRHQH-SOAMZJECSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208862 197095201 /nfs/dbraw/zinc/09/52/01/197095201.db2.gz OGOLPJBPXRRHQH-SOAMZJECSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208862 197095202 /nfs/dbraw/zinc/09/52/02/197095202.db2.gz OGOLPJBPXRRHQH-SOAMZJECSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208862 197095204 /nfs/dbraw/zinc/09/52/04/197095204.db2.gz OGOLPJBPXRRHQH-SOAMZJECSA-N 3 1 317.521 3.215 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000155466299 197057310 /nfs/dbraw/zinc/05/73/10/197057310.db2.gz XDLPUDZMORPGAI-XHSDSOJGSA-N 2 1 317.477 3.256 20 0 DGADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000155206261 197032112 /nfs/dbraw/zinc/03/21/12/197032112.db2.gz ADQLELHPZKIRMO-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000155206261 197032114 /nfs/dbraw/zinc/03/21/14/197032114.db2.gz ADQLELHPZKIRMO-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000155206261 197032115 /nfs/dbraw/zinc/03/21/15/197032115.db2.gz ADQLELHPZKIRMO-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000155206261 197032117 /nfs/dbraw/zinc/03/21/17/197032117.db2.gz ADQLELHPZKIRMO-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000154886557 197002943 /nfs/dbraw/zinc/00/29/43/197002943.db2.gz LRFQVGPOZCYGJB-QGZVFWFLSA-N 2 1 304.478 3.373 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000294717946 224189819 /nfs/dbraw/zinc/18/98/19/224189819.db2.gz FYCAESBMACCUAW-MSOLQXFVSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000294717946 224189822 /nfs/dbraw/zinc/18/98/22/224189822.db2.gz FYCAESBMACCUAW-MSOLQXFVSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000294717946 224189824 /nfs/dbraw/zinc/18/98/24/224189824.db2.gz FYCAESBMACCUAW-MSOLQXFVSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000294717946 224189827 /nfs/dbraw/zinc/18/98/27/224189827.db2.gz FYCAESBMACCUAW-MSOLQXFVSA-N 2 1 301.478 3.476 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000120573593 195193792 /nfs/dbraw/zinc/19/37/92/195193792.db2.gz BWFJBNKRSARWFA-MRXNPFEDSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)nc1 ZINC000289533535 221047014 /nfs/dbraw/zinc/04/70/14/221047014.db2.gz BIFVJMVTGBOJDM-LLVKDONJSA-N 2 1 314.271 3.083 20 0 DGADMP Cn1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289608427 221099826 /nfs/dbraw/zinc/09/98/26/221099826.db2.gz LCMGGOUISFCVMW-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289608427 221099828 /nfs/dbraw/zinc/09/98/28/221099828.db2.gz LCMGGOUISFCVMW-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000289608427 221099830 /nfs/dbraw/zinc/09/98/30/221099830.db2.gz LCMGGOUISFCVMW-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000289608427 221099832 /nfs/dbraw/zinc/09/98/32/221099832.db2.gz LCMGGOUISFCVMW-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000289693025 221157923 /nfs/dbraw/zinc/15/79/23/221157923.db2.gz BIHXHABIODIVFF-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000289693025 221157926 /nfs/dbraw/zinc/15/79/26/221157926.db2.gz BIHXHABIODIVFF-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289701404 221164241 /nfs/dbraw/zinc/16/42/41/221164241.db2.gz DSKVDDDUKJQURQ-LJQANCHMSA-N 2 1 324.472 3.376 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289701404 221164244 /nfs/dbraw/zinc/16/42/44/221164244.db2.gz DSKVDDDUKJQURQ-LJQANCHMSA-N 2 1 324.472 3.376 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289701401 221164396 /nfs/dbraw/zinc/16/43/96/221164396.db2.gz DSKVDDDUKJQURQ-IBGZPJMESA-N 2 1 324.472 3.376 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289701401 221164399 /nfs/dbraw/zinc/16/43/99/221164399.db2.gz DSKVDDDUKJQURQ-IBGZPJMESA-N 2 1 324.472 3.376 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1O ZINC000289794964 221232424 /nfs/dbraw/zinc/23/24/24/221232424.db2.gz OPWNNLBPXSAWQG-HNNXBMFYSA-N 2 1 306.450 3.173 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000289977106 221354805 /nfs/dbraw/zinc/35/48/05/221354805.db2.gz ZLKREEUNEWAKFJ-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP COC[C@@]1(C[NH2+][C@@H](c2cccs2)C2CCCC2)CCC[NH2+]1 ZINC000423414219 285325275 /nfs/dbraw/zinc/32/52/75/285325275.db2.gz MGZCINRLYRCVDK-SJORKVTESA-N 2 1 308.491 3.338 20 0 DGADMP Cc1ncsc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295034472 224393667 /nfs/dbraw/zinc/39/36/67/224393667.db2.gz OEVVIFAKZLJJQP-UHFFFAOYSA-N 2 1 315.486 3.248 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OC(C)C ZINC000352535238 285353682 /nfs/dbraw/zinc/35/36/82/285353682.db2.gz OBGFWVLXPAKVMF-INIZCTEOSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352536017 285353900 /nfs/dbraw/zinc/35/39/00/285353900.db2.gz YIGLMFFZIAMCCR-GOSISDBHSA-N 2 1 300.402 3.017 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352536017 285353902 /nfs/dbraw/zinc/35/39/02/285353902.db2.gz YIGLMFFZIAMCCR-GOSISDBHSA-N 2 1 300.402 3.017 20 0 DGADMP c1ccc(OCCCCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352540359 285355390 /nfs/dbraw/zinc/35/53/90/285355390.db2.gz KGHYMLHWUIUYEL-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COCc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000121772137 195344513 /nfs/dbraw/zinc/34/45/13/195344513.db2.gz BFKULZHQPOBAOJ-UHFFFAOYSA-N 2 1 313.445 3.021 20 0 DGADMP COCCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420300140 533256024 /nfs/dbraw/zinc/25/60/24/533256024.db2.gz HIPPGQHOAXUGQO-SFHVURJKSA-N 2 1 304.478 3.305 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2c1 ZINC000435374078 533356513 /nfs/dbraw/zinc/35/65/13/533356513.db2.gz HDPBGLNPAVGWLD-AFAVFJNCSA-N 2 1 300.402 3.001 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946464 533417418 /nfs/dbraw/zinc/41/74/18/533417418.db2.gz DMAAHMBMRHBJCV-AEFFLSMTSA-N 2 1 312.461 3.363 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946464 533417424 /nfs/dbraw/zinc/41/74/24/533417424.db2.gz DMAAHMBMRHBJCV-AEFFLSMTSA-N 2 1 312.461 3.363 20 0 DGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415079343 533501541 /nfs/dbraw/zinc/50/15/41/533501541.db2.gz JXXIPLSKHAQUAZ-AZUAARDMSA-N 2 1 310.441 3.321 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1OC1CCCC1 ZINC000415092023 533515537 /nfs/dbraw/zinc/51/55/37/533515537.db2.gz RWPPJMJPXKYCTG-MRXNPFEDSA-N 2 1 318.461 3.248 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415039018 533671369 /nfs/dbraw/zinc/67/13/69/533671369.db2.gz IKYPCLVUZZZCDU-RYGJVYDSSA-N 2 1 312.432 3.492 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCCC34CCOCC4)CC[NH2+]2)cc1 ZINC000423113239 285490459 /nfs/dbraw/zinc/49/04/59/285490459.db2.gz KQOKAZRYLFCZIN-QYZOEREBSA-N 2 1 314.473 3.419 20 0 DGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423469440 292010338 /nfs/dbraw/zinc/01/03/38/292010338.db2.gz FWEXXOAEVBWSIQ-GDBMZVCRSA-N 2 1 324.415 3.352 20 0 DGADMP COC(=O)c1coc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000278327913 292033661 /nfs/dbraw/zinc/03/36/61/292033661.db2.gz VUVXAVMREXMFNL-CABCVRRESA-N 2 1 322.449 3.229 20 0 DGADMP COC(=O)c1coc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000447535301 292033754 /nfs/dbraw/zinc/03/37/54/292033754.db2.gz FBTFNZITRXHOMM-GJZGRUSLSA-N 2 1 322.449 3.371 20 0 DGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357080602 285630146 /nfs/dbraw/zinc/63/01/46/285630146.db2.gz FIMQBVYKWRFUEH-DZGCQCFKSA-N 2 1 323.506 3.062 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078877 400100982 /nfs/dbraw/zinc/10/09/82/400100982.db2.gz BKYPKCDMQGOZIC-WBVHZDCISA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078877 400100986 /nfs/dbraw/zinc/10/09/86/400100986.db2.gz BKYPKCDMQGOZIC-WBVHZDCISA-N 2 1 322.493 3.105 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000090956491 400083705 /nfs/dbraw/zinc/08/37/05/400083705.db2.gz BJFSJCMLOHLOKA-LRDDRELGSA-N 2 1 310.844 3.441 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(C)C)c3)C2)CC1 ZINC000595315024 400125417 /nfs/dbraw/zinc/12/54/17/400125417.db2.gz WMJSYUMRIXGHSS-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CCS[C@@H]1CCCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595884047 400286596 /nfs/dbraw/zinc/28/65/96/400286596.db2.gz BCCWLYWYIJDGQR-QGZVFWFLSA-N 2 1 304.503 3.440 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccns1 ZINC000404454908 400295126 /nfs/dbraw/zinc/29/51/26/400295126.db2.gz IUNPVLGKOFJNGB-RHSMWYFYSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404454908 400295130 /nfs/dbraw/zinc/29/51/30/400295130.db2.gz IUNPVLGKOFJNGB-RHSMWYFYSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000589641434 400314768 /nfs/dbraw/zinc/31/47/68/400314768.db2.gz KTGNLIWRHDEWHS-HUUCEWRRSA-N 2 1 300.450 3.021 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589641839 400315781 /nfs/dbraw/zinc/31/57/81/400315781.db2.gz QJCGZYFAYPDWPZ-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000589641839 400315786 /nfs/dbraw/zinc/31/57/86/400315786.db2.gz QJCGZYFAYPDWPZ-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000589641839 400315788 /nfs/dbraw/zinc/31/57/88/400315788.db2.gz QJCGZYFAYPDWPZ-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000112657963 400375582 /nfs/dbraw/zinc/37/55/82/400375582.db2.gz PKPNLEFOBFUEML-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657963 400375588 /nfs/dbraw/zinc/37/55/88/400375588.db2.gz PKPNLEFOBFUEML-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112657963 400375591 /nfs/dbraw/zinc/37/55/91/400375591.db2.gz PKPNLEFOBFUEML-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000040621979 400401646 /nfs/dbraw/zinc/40/16/46/400401646.db2.gz FFROLXZTAHYTJI-LLVKDONJSA-N 2 1 317.296 3.331 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000040621979 400401650 /nfs/dbraw/zinc/40/16/50/400401650.db2.gz FFROLXZTAHYTJI-LLVKDONJSA-N 2 1 317.296 3.331 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000120000093 400442279 /nfs/dbraw/zinc/44/22/79/400442279.db2.gz YMVXYZYOEQCNDP-GFCCVEGCSA-N 2 1 317.260 3.256 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000120000093 400442282 /nfs/dbraw/zinc/44/22/82/400442282.db2.gz YMVXYZYOEQCNDP-GFCCVEGCSA-N 2 1 317.260 3.256 20 0 DGADMP COC(=O)c1csc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000602513134 400484371 /nfs/dbraw/zinc/48/43/71/400484371.db2.gz CVOPMMCFTOYJSC-CQSZACIVSA-N 2 1 324.490 3.279 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000155038713 400699431 /nfs/dbraw/zinc/69/94/31/400699431.db2.gz CCTYOXRUEXIZHD-HNNXBMFYSA-N 2 1 312.498 3.161 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000155038713 400699436 /nfs/dbraw/zinc/69/94/36/400699436.db2.gz CCTYOXRUEXIZHD-HNNXBMFYSA-N 2 1 312.498 3.161 20 0 DGADMP Fc1ccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000157342068 400716451 /nfs/dbraw/zinc/71/64/51/400716451.db2.gz UOYCKWIZXBHWMA-OAHLLOKOSA-N 2 1 308.466 3.336 20 0 DGADMP Fc1ccc(SCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000157342068 400716454 /nfs/dbraw/zinc/71/64/54/400716454.db2.gz UOYCKWIZXBHWMA-OAHLLOKOSA-N 2 1 308.466 3.336 20 0 DGADMP Brc1ccc(/C=C\CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000604997454 400825635 /nfs/dbraw/zinc/82/56/35/400825635.db2.gz YNWDKBMGDROYTR-OPPGXWKRSA-N 2 1 321.262 3.004 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000174454075 400857810 /nfs/dbraw/zinc/85/78/10/400857810.db2.gz YTZNWOJFSXWWSC-UHFFFAOYSA-N 2 1 313.405 3.053 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387565 400891597 /nfs/dbraw/zinc/89/15/97/400891597.db2.gz LKGHABPBXVBKGS-MRXNPFEDSA-N 2 1 312.461 3.232 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)CC1(C)C ZINC000598960273 400912306 /nfs/dbraw/zinc/91/23/06/400912306.db2.gz AHRSFKLSWLTJTO-HNNXBMFYSA-N 2 1 312.498 3.351 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317626 401019483 /nfs/dbraw/zinc/01/94/83/401019483.db2.gz TWKWFRSQMZOBPQ-HOTGVXAUSA-N 2 1 312.498 3.016 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629655977 401020355 /nfs/dbraw/zinc/02/03/55/401020355.db2.gz ZFZNMBJUCDEWSU-FZKCQIBNSA-N 2 1 312.379 3.249 20 0 DGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000599301865 401016613 /nfs/dbraw/zinc/01/66/13/401016613.db2.gz DBAMIQPTMBGASY-MOPGFXCFSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629652417 401018072 /nfs/dbraw/zinc/01/80/72/401018072.db2.gz AHFJJVJOKAJAOU-BPLDGKMQSA-N 2 1 300.368 3.249 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000629561508 400974572 /nfs/dbraw/zinc/97/45/72/400974572.db2.gz IEEGCSIRPXQYEK-LSDHHAIUSA-N 2 1 300.368 3.263 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606902914 400978853 /nfs/dbraw/zinc/97/88/53/400978853.db2.gz FCDANMNXHBTHOV-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586409 401084680 /nfs/dbraw/zinc/08/46/80/401084680.db2.gz HXWZIPYSVPLRNT-IXDOHACOSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586409 401084685 /nfs/dbraw/zinc/08/46/85/401084685.db2.gz HXWZIPYSVPLRNT-IXDOHACOSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586409 401084689 /nfs/dbraw/zinc/08/46/89/401084689.db2.gz HXWZIPYSVPLRNT-IXDOHACOSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1CSCC[NH+](CCCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000248985220 401080650 /nfs/dbraw/zinc/08/06/50/401080650.db2.gz GFLOQOQXQZQEBP-HOTGVXAUSA-N 2 1 316.580 3.136 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000599317453 401021639 /nfs/dbraw/zinc/02/16/39/401021639.db2.gz BCTPVRINMCNPCC-YESZJQIVSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000599317453 401021644 /nfs/dbraw/zinc/02/16/44/401021644.db2.gz BCTPVRINMCNPCC-YESZJQIVSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000599317453 401021648 /nfs/dbraw/zinc/02/16/48/401021648.db2.gz BCTPVRINMCNPCC-YESZJQIVSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000599317453 401021650 /nfs/dbraw/zinc/02/16/50/401021650.db2.gz BCTPVRINMCNPCC-YESZJQIVSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000599317453 401021654 /nfs/dbraw/zinc/02/16/54/401021654.db2.gz BCTPVRINMCNPCC-YESZJQIVSA-N 2 1 324.509 3.159 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1F ZINC000629671438 401030766 /nfs/dbraw/zinc/03/07/66/401030766.db2.gz AOPXLOPIRKURLM-SQWLQELKSA-N 2 1 306.425 3.012 20 0 DGADMP COC(=O)CCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000599354509 401031872 /nfs/dbraw/zinc/03/18/72/401031872.db2.gz PRWQVBIVXHXWBG-AWEZNQCLSA-N 2 1 315.417 3.175 20 0 DGADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000629679360 401034173 /nfs/dbraw/zinc/03/41/73/401034173.db2.gz ZKBMTORQRYTBKF-OAHLLOKOSA-N 2 1 302.422 3.234 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223206 286002060 /nfs/dbraw/zinc/00/20/60/286002060.db2.gz AGDZHJGCNAUMTR-RTWAWAEBSA-N 2 1 324.468 3.017 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223206 286002064 /nfs/dbraw/zinc/00/20/64/286002064.db2.gz AGDZHJGCNAUMTR-RTWAWAEBSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225334 286003324 /nfs/dbraw/zinc/00/33/24/286003324.db2.gz CPEWGLXHWLNDJV-KBXCAEBGSA-N 2 1 316.470 3.132 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225334 286003326 /nfs/dbraw/zinc/00/33/26/286003326.db2.gz CPEWGLXHWLNDJV-KBXCAEBGSA-N 2 1 316.470 3.132 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000358247922 286010351 /nfs/dbraw/zinc/01/03/51/286010351.db2.gz FWHMECXXXHDQCO-VDGAXYAQSA-N 2 1 324.472 3.209 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000358247922 286010353 /nfs/dbraw/zinc/01/03/53/286010353.db2.gz FWHMECXXXHDQCO-VDGAXYAQSA-N 2 1 324.472 3.209 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358236218 286006765 /nfs/dbraw/zinc/00/67/65/286006765.db2.gz AEMJQAYAGUXYCP-ZWKOTPCHSA-N 2 1 304.482 3.098 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358236218 286006767 /nfs/dbraw/zinc/00/67/67/286006767.db2.gz AEMJQAYAGUXYCP-ZWKOTPCHSA-N 2 1 304.482 3.098 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260307 286013680 /nfs/dbraw/zinc/01/36/80/286013680.db2.gz XRBVGDFZAWPLRJ-DLBZAZTESA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260307 286013681 /nfs/dbraw/zinc/01/36/81/286013681.db2.gz XRBVGDFZAWPLRJ-DLBZAZTESA-N 2 1 310.869 3.083 20 0 DGADMP C[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000630060562 401173849 /nfs/dbraw/zinc/17/38/49/401173849.db2.gz MIDPNYUEVAIQMX-ICSRJNTNSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000630060561 401173980 /nfs/dbraw/zinc/17/39/80/401173980.db2.gz MIDPNYUEVAIQMX-AZUAARDMSA-N 2 1 313.489 3.038 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089513727 401225907 /nfs/dbraw/zinc/22/59/07/401225907.db2.gz CPQHEQLKIFQKGS-MPGHIAIKSA-N 2 1 317.477 3.101 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000089513727 401225914 /nfs/dbraw/zinc/22/59/14/401225914.db2.gz CPQHEQLKIFQKGS-MPGHIAIKSA-N 2 1 317.477 3.101 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1(C)COC1 ZINC000625793411 401220621 /nfs/dbraw/zinc/22/06/21/401220621.db2.gz VGBJEDNXZMQJOJ-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090721095 401272150 /nfs/dbraw/zinc/27/21/50/401272150.db2.gz YSPVVKCODXLEDC-CQSZACIVSA-N 2 1 317.408 3.012 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000621719385 401284264 /nfs/dbraw/zinc/28/42/64/401284264.db2.gz LCMDVDGRNPAMJC-ZTFGCOKTSA-N 2 1 322.518 3.384 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000089552081 401227123 /nfs/dbraw/zinc/22/71/23/401227123.db2.gz FYKVXHCMPLTRCN-JSGCOSHPSA-N 2 1 316.367 3.014 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000089722874 401237206 /nfs/dbraw/zinc/23/72/06/401237206.db2.gz QGDPASZKZWVCKG-YJBOKZPZSA-N 2 1 304.478 3.293 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358348054 286038685 /nfs/dbraw/zinc/03/86/85/286038685.db2.gz HAFMUEFZLCWIND-XCLNPWKQSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358348054 286038688 /nfs/dbraw/zinc/03/86/88/286038688.db2.gz HAFMUEFZLCWIND-XCLNPWKQSA-N 2 1 314.473 3.197 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000358348608 286038797 /nfs/dbraw/zinc/03/87/97/286038797.db2.gz CMQFQGUQFWKOEM-GDBMZVCRSA-N 2 1 318.452 3.291 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000090172832 401261697 /nfs/dbraw/zinc/26/16/97/401261697.db2.gz ARMSCRYQUWNUTK-GVDBMIGSSA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000090172832 401261700 /nfs/dbraw/zinc/26/17/00/401261700.db2.gz ARMSCRYQUWNUTK-GVDBMIGSSA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626121355 401305142 /nfs/dbraw/zinc/30/51/42/401305142.db2.gz GVFZWMPGIATGRV-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP COC[C@H](C)[N@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626132966 401308957 /nfs/dbraw/zinc/30/89/57/401308957.db2.gz DLRJZGUKWAGNJO-KXBFYZLASA-N 2 1 313.445 3.216 20 0 DGADMP COC[C@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626132966 401308961 /nfs/dbraw/zinc/30/89/61/401308961.db2.gz DLRJZGUKWAGNJO-KXBFYZLASA-N 2 1 313.445 3.216 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@@H]1C(F)(F)F ZINC000634688302 401335808 /nfs/dbraw/zinc/33/58/08/401335808.db2.gz OMLSMKWVZAYKKN-ZFWWWQNUSA-N 2 1 323.362 3.194 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000634732490 401340791 /nfs/dbraw/zinc/34/07/91/401340791.db2.gz HPYXGLWEVLBPQV-LJQANCHMSA-N 2 1 315.505 3.019 20 0 DGADMP CC[N@@H+](CCOCC(F)(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062077 401291957 /nfs/dbraw/zinc/29/19/57/401291957.db2.gz FOYVMFSPXUBEFT-UHFFFAOYSA-N 2 1 318.383 3.149 20 0 DGADMP CC[N@@H+](Cc1ccc(CO)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062853 401292207 /nfs/dbraw/zinc/29/22/07/401292207.db2.gz JICGPIIBXIZLQF-UHFFFAOYSA-N 2 1 312.457 3.263 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000634996294 401397623 /nfs/dbraw/zinc/39/76/23/401397623.db2.gz FWROXSWFUVCLOJ-INMHGKMJSA-N 2 1 324.472 3.136 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635003088 401398721 /nfs/dbraw/zinc/39/87/21/401398721.db2.gz FSXHMBLNUSMGIA-ZOWXZIJZSA-N 2 1 317.399 3.024 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000635008762 401401690 /nfs/dbraw/zinc/40/16/90/401401690.db2.gz VCPNXGYIOSIOTN-LFGUQSLTSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000635008762 401401692 /nfs/dbraw/zinc/40/16/92/401401692.db2.gz VCPNXGYIOSIOTN-LFGUQSLTSA-N 3 1 315.505 3.147 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3cccc4c3CCOC4)CC[NH2+]2)cc1 ZINC000635012277 401403664 /nfs/dbraw/zinc/40/36/64/401403664.db2.gz KTVWXDKOFNUDPK-TZIWHRDSSA-N 2 1 322.452 3.342 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)c2ccccc21 ZINC000635014104 401404478 /nfs/dbraw/zinc/40/44/78/401404478.db2.gz MZDPICGXGPZSRP-XWIAVFTESA-N 2 1 316.832 3.150 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000631187428 401419717 /nfs/dbraw/zinc/41/97/17/401419717.db2.gz GJEAWMULPXGEBB-DTDBQYNISA-N 2 1 322.399 3.011 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631197070 401423795 /nfs/dbraw/zinc/42/37/95/401423795.db2.gz WVWBLTAUBCUMCC-PBHICJAKSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631197070 401423797 /nfs/dbraw/zinc/42/37/97/401423797.db2.gz WVWBLTAUBCUMCC-PBHICJAKSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195978 401423889 /nfs/dbraw/zinc/42/38/89/401423889.db2.gz LVDCPQGTSVKUTO-YLJYHZDGSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1Oc1cccnc1 ZINC000623086229 401463177 /nfs/dbraw/zinc/46/31/77/401463177.db2.gz DBGHZCVTMNMWNR-UHFFFAOYSA-N 2 1 322.412 3.248 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)[C@@H](C)C1 ZINC000249082094 286063677 /nfs/dbraw/zinc/06/36/77/286063677.db2.gz MSMGOMUERAVXHM-OKZBNKHCSA-N 2 1 308.510 3.436 20 0 DGADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647821 401523383 /nfs/dbraw/zinc/52/33/83/401523383.db2.gz INRDZXIOXUINNG-OKYOBFRVSA-N 2 1 318.505 3.046 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000631654595 401525362 /nfs/dbraw/zinc/52/53/62/401525362.db2.gz NKXRFGNPZXBXQN-ZFVVBOAOSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000631654595 401525368 /nfs/dbraw/zinc/52/53/68/401525368.db2.gz NKXRFGNPZXBXQN-ZFVVBOAOSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000631665354 401529283 /nfs/dbraw/zinc/52/92/83/401529283.db2.gz WLNKKQASHSNZJR-HLIPFELVSA-N 2 1 316.489 3.159 20 0 DGADMP COC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631664190 401529580 /nfs/dbraw/zinc/52/95/80/401529580.db2.gz MLJYSYKXBZKOTQ-HSFDUWRESA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCn2nccc21 ZINC000631664579 401529652 /nfs/dbraw/zinc/52/96/52/401529652.db2.gz PZZOYWFNKXEZDE-BHIYHBOVSA-N 2 1 324.472 3.076 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCn2nccc21 ZINC000631664579 401529655 /nfs/dbraw/zinc/52/96/55/401529655.db2.gz PZZOYWFNKXEZDE-BHIYHBOVSA-N 2 1 324.472 3.076 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631671174 401531802 /nfs/dbraw/zinc/53/18/02/401531802.db2.gz YWHFMLLKTAIEAJ-YSTOQKLRSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1csc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000631867164 401562408 /nfs/dbraw/zinc/56/24/08/401562408.db2.gz LMDJUPYWAXMWDZ-QGZVFWFLSA-N 2 1 313.470 3.434 20 0 DGADMP C[N@H+]1CCCC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623657448 401563253 /nfs/dbraw/zinc/56/32/53/401563253.db2.gz RAQFGPGZSQYJOX-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623657448 401563254 /nfs/dbraw/zinc/56/32/54/401563254.db2.gz RAQFGPGZSQYJOX-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623657448 401563255 /nfs/dbraw/zinc/56/32/55/401563255.db2.gz RAQFGPGZSQYJOX-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C2CCCCC2)n1 ZINC000623657129 401563608 /nfs/dbraw/zinc/56/36/08/401563608.db2.gz KGRLFGBIDHPWKM-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C2CCCCC2)n1 ZINC000623657129 401563612 /nfs/dbraw/zinc/56/36/12/401563612.db2.gz KGRLFGBIDHPWKM-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP Cc1ncc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000628273151 401565206 /nfs/dbraw/zinc/56/52/06/401565206.db2.gz KHEWTHZMXHYDOZ-IBGZPJMESA-N 2 1 311.429 3.081 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(C)sc1C ZINC000623871392 401591603 /nfs/dbraw/zinc/59/16/03/401591603.db2.gz COHXNHMESABDLD-RDJZCZTQSA-N 2 1 310.507 3.252 20 0 DGADMP Cc1cccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)c1 ZINC000623888740 401594584 /nfs/dbraw/zinc/59/45/84/401594584.db2.gz SARCJEAJCLQDNT-FQEVSTJZSA-N 2 1 317.521 3.309 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000628187977 401545405 /nfs/dbraw/zinc/54/54/05/401545405.db2.gz IGPVLSWQFPURLJ-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000628187977 401545406 /nfs/dbraw/zinc/54/54/06/401545406.db2.gz IGPVLSWQFPURLJ-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000631839340 401560746 /nfs/dbraw/zinc/56/07/46/401560746.db2.gz DYPCKCBQWVVEPH-DZGCQCFKSA-N 2 1 301.459 3.145 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000631839340 401560749 /nfs/dbraw/zinc/56/07/49/401560749.db2.gz DYPCKCBQWVVEPH-DZGCQCFKSA-N 2 1 301.459 3.145 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000624108938 401627282 /nfs/dbraw/zinc/62/72/82/401627282.db2.gz JCJDUVDXICRWHN-LJQANCHMSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000624119357 401627918 /nfs/dbraw/zinc/62/79/18/401627918.db2.gz AEKYEICQXLWXKI-SJORKVTESA-N 3 1 312.461 3.255 20 0 DGADMP COc1ccc([C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120067 401628148 /nfs/dbraw/zinc/62/81/48/401628148.db2.gz QQXKLNFCNOWZIV-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624120067 401628151 /nfs/dbraw/zinc/62/81/51/401628151.db2.gz QQXKLNFCNOWZIV-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120067 401628152 /nfs/dbraw/zinc/62/81/52/401628152.db2.gz QQXKLNFCNOWZIV-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121007 401628488 /nfs/dbraw/zinc/62/84/88/401628488.db2.gz LMYBSZMSRBOFJT-CABCVRRESA-N 2 1 307.457 3.274 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121007 401628489 /nfs/dbraw/zinc/62/84/89/401628489.db2.gz LMYBSZMSRBOFJT-CABCVRRESA-N 2 1 307.457 3.274 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121007 401628490 /nfs/dbraw/zinc/62/84/90/401628490.db2.gz LMYBSZMSRBOFJT-CABCVRRESA-N 2 1 307.457 3.274 20 0 DGADMP COc1ccc([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120066 401628588 /nfs/dbraw/zinc/62/85/88/401628588.db2.gz QQXKLNFCNOWZIV-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624120066 401628589 /nfs/dbraw/zinc/62/85/89/401628589.db2.gz QQXKLNFCNOWZIV-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120066 401628590 /nfs/dbraw/zinc/62/85/90/401628590.db2.gz QQXKLNFCNOWZIV-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119688 401628701 /nfs/dbraw/zinc/62/87/01/401628701.db2.gz HDBUVKPGBOAARV-SJORKVTESA-N 2 1 317.477 3.034 20 0 DGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123171 401629328 /nfs/dbraw/zinc/62/93/28/401629328.db2.gz HDXKRCATMACIHB-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123171 401629329 /nfs/dbraw/zinc/62/93/29/401629329.db2.gz HDXKRCATMACIHB-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123171 401629332 /nfs/dbraw/zinc/62/93/32/401629332.db2.gz HDXKRCATMACIHB-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124103 401629541 /nfs/dbraw/zinc/62/95/41/401629541.db2.gz XIJOVXWUPFXOOP-DOTOQJQBSA-N 2 1 304.482 3.353 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124103 401629544 /nfs/dbraw/zinc/62/95/44/401629544.db2.gz XIJOVXWUPFXOOP-DOTOQJQBSA-N 2 1 304.482 3.353 20 0 DGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C)ccc1C ZINC000623978394 401608259 /nfs/dbraw/zinc/60/82/59/401608259.db2.gz RTJMDYZESLTRDP-IBGZPJMESA-N 2 1 317.521 3.370 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000358576589 286097610 /nfs/dbraw/zinc/09/76/10/286097610.db2.gz ULUPFGWKIUYZFJ-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC000424307324 286113510 /nfs/dbraw/zinc/11/35/10/286113510.db2.gz XJYYSPTXZMPDEK-XCDZQEORSA-N 2 1 308.510 3.290 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC000424307324 286113511 /nfs/dbraw/zinc/11/35/11/286113511.db2.gz XJYYSPTXZMPDEK-XCDZQEORSA-N 2 1 308.510 3.290 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC000424307321 286115148 /nfs/dbraw/zinc/11/51/48/286115148.db2.gz XJYYSPTXZMPDEK-BRIYLRKRSA-N 2 1 308.510 3.290 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC000424307321 286115150 /nfs/dbraw/zinc/11/51/50/286115150.db2.gz XJYYSPTXZMPDEK-BRIYLRKRSA-N 2 1 308.510 3.290 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358648345 286116755 /nfs/dbraw/zinc/11/67/55/286116755.db2.gz IOAXOHDJKPHFRW-CUDHKJQZSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358648345 286116756 /nfs/dbraw/zinc/11/67/56/286116756.db2.gz IOAXOHDJKPHFRW-CUDHKJQZSA-N 2 1 318.505 3.426 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670785 286120367 /nfs/dbraw/zinc/12/03/67/286120367.db2.gz WZKAEFZIQITKGE-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670785 286120371 /nfs/dbraw/zinc/12/03/71/286120371.db2.gz WZKAEFZIQITKGE-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358715222 286131223 /nfs/dbraw/zinc/13/12/23/286131223.db2.gz NKZDSXWRZXYCCD-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358715222 286131224 /nfs/dbraw/zinc/13/12/24/286131224.db2.gz NKZDSXWRZXYCCD-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358717045 286132030 /nfs/dbraw/zinc/13/20/30/286132030.db2.gz PQECUGMDNUNSCF-QXAKKESOSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358717045 286132032 /nfs/dbraw/zinc/13/20/32/286132032.db2.gz PQECUGMDNUNSCF-QXAKKESOSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358933708 286191250 /nfs/dbraw/zinc/19/12/50/286191250.db2.gz JUPUFTYLDGCOKA-SOLBZPMBSA-N 2 1 318.509 3.145 20 0 DGADMP CCc1csc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359210938 286261923 /nfs/dbraw/zinc/26/19/23/286261923.db2.gz DYSAMMURODIBNX-HNNXBMFYSA-N 2 1 307.507 3.275 20 0 DGADMP Fc1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000359214537 286262427 /nfs/dbraw/zinc/26/24/27/286262427.db2.gz JGQKFSCVVQRCSX-LJQANCHMSA-N 2 1 320.452 3.196 20 0 DGADMP CCCn1nc(C)c(C[N@H+](CCC[NH3+])Cc2ccccc2)c1C ZINC000359458169 286312644 /nfs/dbraw/zinc/31/26/44/286312644.db2.gz PLKBEXKBTQZBDO-UHFFFAOYSA-N 2 1 314.477 3.261 20 0 DGADMP CCCn1nc(C)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1C ZINC000359458169 286312647 /nfs/dbraw/zinc/31/26/47/286312647.db2.gz PLKBEXKBTQZBDO-UHFFFAOYSA-N 2 1 314.477 3.261 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000359475237 286316332 /nfs/dbraw/zinc/31/63/32/286316332.db2.gz RCPADZGKUOWZMO-UHFFFAOYSA-N 2 1 324.428 3.329 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000359475237 286316334 /nfs/dbraw/zinc/31/63/34/286316334.db2.gz RCPADZGKUOWZMO-UHFFFAOYSA-N 2 1 324.428 3.329 20 0 DGADMP COCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183129610 292322583 /nfs/dbraw/zinc/32/25/83/292322583.db2.gz YUYSEYXBLSPWLR-HSALFYBXSA-N 2 1 316.489 3.303 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182760304 164944644 /nfs/dbraw/zinc/94/46/44/164944644.db2.gz VHQUEUVAIZCTET-UHFFFAOYSA-N 2 1 306.498 3.237 20 0 DGADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762782 165015942 /nfs/dbraw/zinc/01/59/42/165015942.db2.gz IYPVWCSBOIYVPB-DZGCQCFKSA-N 2 1 307.507 3.237 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@H](C)C3CCSCC3)CC2)[nH+]1 ZINC000187217517 165080754 /nfs/dbraw/zinc/08/07/54/165080754.db2.gz DNZFBELTNGBRPY-OAHLLOKOSA-N 2 1 319.518 3.480 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365154384 287103429 /nfs/dbraw/zinc/10/34/29/287103429.db2.gz FVCOVLUXNJOMRE-MSOLQXFVSA-N 2 1 300.446 3.192 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191952772 165277493 /nfs/dbraw/zinc/27/74/93/165277493.db2.gz UAOYLAIWWNMQGR-KRWDZBQOSA-N 2 1 321.428 3.283 20 0 DGADMP CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000192647718 165299770 /nfs/dbraw/zinc/29/97/70/165299770.db2.gz ALXJPWLBGXYTLM-XVLXNVKGSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)n1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192933459 165309840 /nfs/dbraw/zinc/30/98/40/165309840.db2.gz VJYUCIZYYXOXSD-GOSISDBHSA-N 2 1 312.461 3.076 20 0 DGADMP CC(C)n1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192933459 165309841 /nfs/dbraw/zinc/30/98/41/165309841.db2.gz VJYUCIZYYXOXSD-GOSISDBHSA-N 2 1 312.461 3.076 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192977207 165314804 /nfs/dbraw/zinc/31/48/04/165314804.db2.gz SEOFOHDFVVNEBA-ALOPSCKCSA-N 2 1 302.462 3.188 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193054319 165316653 /nfs/dbraw/zinc/31/66/53/165316653.db2.gz SRIVYWJYTGSELR-MIGBEJBISA-N 2 1 302.462 3.089 20 0 DGADMP c1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193479120 165326691 /nfs/dbraw/zinc/32/66/91/165326691.db2.gz PJTWDJMOQOKFDX-UHFFFAOYSA-N 2 1 302.462 3.406 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435209 165346929 /nfs/dbraw/zinc/34/69/29/165346929.db2.gz POWNRMKVHMTIOA-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435209 165346933 /nfs/dbraw/zinc/34/69/33/165346933.db2.gz POWNRMKVHMTIOA-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435209 165346937 /nfs/dbraw/zinc/34/69/37/165346937.db2.gz POWNRMKVHMTIOA-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435209 165346941 /nfs/dbraw/zinc/34/69/41/165346941.db2.gz POWNRMKVHMTIOA-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435209 165346942 /nfs/dbraw/zinc/34/69/42/165346942.db2.gz POWNRMKVHMTIOA-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+](C)Cc1cccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000194842935 165356637 /nfs/dbraw/zinc/35/66/37/165356637.db2.gz FGKJZWQRENNADP-UHFFFAOYSA-N 2 1 324.428 3.338 20 0 DGADMP C[NH+](C)Cc1cccc(NC(=O)Nc2ccc3c(c2)C[N@H+](C)C3)c1 ZINC000194842935 165356641 /nfs/dbraw/zinc/35/66/41/165356641.db2.gz FGKJZWQRENNADP-UHFFFAOYSA-N 2 1 324.428 3.338 20 0 DGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000365650837 287158129 /nfs/dbraw/zinc/15/81/29/287158129.db2.gz TXYGXWLQCBETOR-OAHLLOKOSA-N 2 1 315.392 3.012 20 0 DGADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000365650836 287158150 /nfs/dbraw/zinc/15/81/50/287158150.db2.gz TXYGXWLQCBETOR-HNNXBMFYSA-N 2 1 315.392 3.012 20 0 DGADMP C[C@H]1CSCC[N@@H+](CCCC[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190392927 432151667 /nfs/dbraw/zinc/15/16/67/432151667.db2.gz GFLOQOQXQZQEBP-IYBDPMFKSA-N 2 1 316.580 3.136 20 0 DGADMP C[C@H]1CSCC[NH+](CCCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000190392927 432151671 /nfs/dbraw/zinc/15/16/71/432151671.db2.gz GFLOQOQXQZQEBP-IYBDPMFKSA-N 2 1 316.580 3.136 20 0 DGADMP C[C@H]1CSCC[NH+](CCCC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000190392927 432151678 /nfs/dbraw/zinc/15/16/78/432151678.db2.gz GFLOQOQXQZQEBP-IYBDPMFKSA-N 2 1 316.580 3.136 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000129437212 196048206 /nfs/dbraw/zinc/04/82/06/196048206.db2.gz CHRQTGIRHYLAAA-NSHDSACASA-N 2 1 316.342 3.418 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000182245793 432169845 /nfs/dbraw/zinc/16/98/45/432169845.db2.gz HSLPSQYVNPFPQC-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000246911353 432180464 /nfs/dbraw/zinc/18/04/64/432180464.db2.gz GGXNAFWSOXLMPK-MANSERQUSA-N 2 1 309.542 3.205 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000246928352 432180975 /nfs/dbraw/zinc/18/09/75/432180975.db2.gz GZYVFWJTQKGGMV-WBVHZDCISA-N 2 1 312.461 3.173 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000190699850 432183608 /nfs/dbraw/zinc/18/36/08/432183608.db2.gz UHFDMZDDRMIKQN-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP CCOc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000246935102 432183677 /nfs/dbraw/zinc/18/36/77/432183677.db2.gz HIMHTBOAHIVXAR-RLFYNMQTSA-N 2 1 316.445 3.125 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000246935102 432183678 /nfs/dbraw/zinc/18/36/78/432183678.db2.gz HIMHTBOAHIVXAR-RLFYNMQTSA-N 2 1 316.445 3.125 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000246935102 432183682 /nfs/dbraw/zinc/18/36/82/432183682.db2.gz HIMHTBOAHIVXAR-RLFYNMQTSA-N 2 1 316.445 3.125 20 0 DGADMP Cc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246967314 432186623 /nfs/dbraw/zinc/18/66/23/432186623.db2.gz VFRCHVFISWRLPU-PXNSSMCTSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246967314 432186625 /nfs/dbraw/zinc/18/66/25/432186625.db2.gz VFRCHVFISWRLPU-PXNSSMCTSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246967314 432186629 /nfs/dbraw/zinc/18/66/29/432186629.db2.gz VFRCHVFISWRLPU-PXNSSMCTSA-N 2 1 314.473 3.323 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246977993 432186971 /nfs/dbraw/zinc/18/69/71/432186971.db2.gz JNDHDVNUXORIHP-JOCBIADPSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000246977993 432186973 /nfs/dbraw/zinc/18/69/73/432186973.db2.gz JNDHDVNUXORIHP-JOCBIADPSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246977993 432186978 /nfs/dbraw/zinc/18/69/78/432186978.db2.gz JNDHDVNUXORIHP-JOCBIADPSA-N 2 1 323.550 3.449 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3[C@H](C)CCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000247022836 432192283 /nfs/dbraw/zinc/19/22/83/432192283.db2.gz KWDXRMRGVPFWTH-BDQBCWGISA-N 2 1 316.493 3.477 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150802033 432192928 /nfs/dbraw/zinc/19/29/28/432192928.db2.gz BJPKBJXBZCEPBN-GOSISDBHSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150802033 432192932 /nfs/dbraw/zinc/19/29/32/432192932.db2.gz BJPKBJXBZCEPBN-GOSISDBHSA-N 2 1 302.462 3.392 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150813237 432193846 /nfs/dbraw/zinc/19/38/46/432193846.db2.gz UWKDDWTXUJQTCZ-HNNXBMFYSA-N 2 1 310.388 3.206 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150813237 432193850 /nfs/dbraw/zinc/19/38/50/432193850.db2.gz UWKDDWTXUJQTCZ-HNNXBMFYSA-N 2 1 310.388 3.206 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190853213 432196281 /nfs/dbraw/zinc/19/62/81/432196281.db2.gz VVLGGRNDJRHLRJ-SFHVURJKSA-N 2 1 302.462 3.297 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000247104716 432201796 /nfs/dbraw/zinc/20/17/96/432201796.db2.gz QFMYGKGJJYMMEU-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000182547931 432203274 /nfs/dbraw/zinc/20/32/74/432203274.db2.gz CBHIMZLSCWBPRJ-CVEARBPZSA-N 2 1 312.498 3.208 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000182649180 432213359 /nfs/dbraw/zinc/21/33/59/432213359.db2.gz ZZOPDWBZEMUTGW-AEFFLSMTSA-N 2 1 313.445 3.407 20 0 DGADMP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247234238 432213810 /nfs/dbraw/zinc/21/38/10/432213810.db2.gz YMYYQUVJGCLRRN-FUHWJXTLSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@@H]1CC[C@H](C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000191034679 432213965 /nfs/dbraw/zinc/21/39/65/432213965.db2.gz JXLNAGCDXBCMQA-VQIMIIECSA-N 2 1 317.477 3.187 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)COCc1ccccc1 ZINC000247135443 432206227 /nfs/dbraw/zinc/20/62/27/432206227.db2.gz VUFQKHVZLZYQLO-VUHPKUFZSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151155365 432225173 /nfs/dbraw/zinc/22/51/73/432225173.db2.gz NWJIXMWLBSAVOD-ZDUSSCGKSA-N 2 1 323.444 3.382 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000131439408 196168451 /nfs/dbraw/zinc/16/84/51/196168451.db2.gz MAWFRAJDKPTPEC-HSALFYBXSA-N 2 1 316.489 3.149 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131615267 196184330 /nfs/dbraw/zinc/18/43/30/196184330.db2.gz SSFBKEIMXZUNDO-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131615267 196184331 /nfs/dbraw/zinc/18/43/31/196184331.db2.gz SSFBKEIMXZUNDO-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000302208926 230165643 /nfs/dbraw/zinc/16/56/43/230165643.db2.gz BMCOMMPOJRHDBX-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192838064 263784813 /nfs/dbraw/zinc/78/48/13/263784813.db2.gz GVKANJNKRWGKSH-MOPGFXCFSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000346312231 264008305 /nfs/dbraw/zinc/00/83/05/264008305.db2.gz HHIVJNFUIXNORM-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN(C)[C@@H]3C)CC2)C1 ZINC000346312231 264008307 /nfs/dbraw/zinc/00/83/07/264008307.db2.gz HHIVJNFUIXNORM-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP Cc1cc([C@H](NCCn2ccnc2)c2cccnc2)ccc1F ZINC000346449130 264034092 /nfs/dbraw/zinc/03/40/92/264034092.db2.gz CVPKNBUOPGELGP-SFHVURJKSA-N 2 1 310.376 3.105 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCO1 ZINC000346546666 264050680 /nfs/dbraw/zinc/05/06/80/264050680.db2.gz BRXWMCHLDNQTNQ-ZOBUZTSGSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCO1 ZINC000346546666 264050681 /nfs/dbraw/zinc/05/06/81/264050681.db2.gz BRXWMCHLDNQTNQ-ZOBUZTSGSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000346636907 264070781 /nfs/dbraw/zinc/07/07/81/264070781.db2.gz IEQGMHUGHNEBNH-DOTOQJQBSA-N 2 1 320.440 3.195 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000346651923 264073490 /nfs/dbraw/zinc/07/34/90/264073490.db2.gz DDIPAFQWPAKENL-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346668316 264076714 /nfs/dbraw/zinc/07/67/14/264076714.db2.gz IKBZYRKYCSRKJN-DOTOQJQBSA-N 2 1 320.440 3.195 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346692785 264080259 /nfs/dbraw/zinc/08/02/59/264080259.db2.gz IWPYPKRWQMZNIE-CVEARBPZSA-N 2 1 312.461 3.165 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692891 264080652 /nfs/dbraw/zinc/08/06/52/264080652.db2.gz JOSBUHCARTYFMV-ZIAGYGMSSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692891 264080654 /nfs/dbraw/zinc/08/06/54/264080654.db2.gz JOSBUHCARTYFMV-ZIAGYGMSSA-N 2 1 307.869 3.109 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@H]2C)cc1 ZINC000346797548 264099503 /nfs/dbraw/zinc/09/95/03/264099503.db2.gz OETJNSUSRYSTHU-DOXZYTNZSA-N 2 1 312.461 3.314 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc4c3NCC4)C2)[nH+]1 ZINC000346831369 264105555 /nfs/dbraw/zinc/10/55/55/264105555.db2.gz KXUVJRGSOLFUQM-MRXNPFEDSA-N 2 1 322.456 3.292 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc4c3NCC4)C2)[nH+]1 ZINC000346831369 264105558 /nfs/dbraw/zinc/10/55/58/264105558.db2.gz KXUVJRGSOLFUQM-MRXNPFEDSA-N 2 1 322.456 3.292 20 0 DGADMP Cc1nc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000346831833 264105861 /nfs/dbraw/zinc/10/58/61/264105861.db2.gz QMRKHYCQWYKTSG-UHFFFAOYSA-N 2 1 313.445 3.088 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000346842070 264107669 /nfs/dbraw/zinc/10/76/69/264107669.db2.gz WJIDRJKBCXPKTC-WBVHZDCISA-N 2 1 302.462 3.295 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(C4CCCC4)s3)C[C@@H]21 ZINC000346847521 264108269 /nfs/dbraw/zinc/10/82/69/264108269.db2.gz MVMLIWBBDNHXRW-VNQPRFMTSA-N 2 1 305.491 3.360 20 0 DGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C2CCCCC2)n1 ZINC000346856866 264110254 /nfs/dbraw/zinc/11/02/54/264110254.db2.gz PSFKMSHILGBETR-SZMVWBNQSA-N 2 1 316.493 3.027 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347003903 264137535 /nfs/dbraw/zinc/13/75/35/264137535.db2.gz AAEDBBJHTWQUDW-YVEFUNNKSA-N 2 1 318.852 3.003 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347003903 264137536 /nfs/dbraw/zinc/13/75/36/264137536.db2.gz AAEDBBJHTWQUDW-YVEFUNNKSA-N 2 1 318.852 3.003 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1OCC ZINC000347004492 264137865 /nfs/dbraw/zinc/13/78/65/264137865.db2.gz OJKDILARNREALC-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1OCC ZINC000347004492 264137868 /nfs/dbraw/zinc/13/78/68/264137868.db2.gz OJKDILARNREALC-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000347003775 264138184 /nfs/dbraw/zinc/13/81/84/264138184.db2.gz MEKNESSTQTUKDI-VQTJNVASSA-N 2 1 316.489 3.018 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cccc1OCC ZINC000347004493 264138280 /nfs/dbraw/zinc/13/82/80/264138280.db2.gz OJKDILARNREALC-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cccc1OCC ZINC000347004493 264138282 /nfs/dbraw/zinc/13/82/82/264138282.db2.gz OJKDILARNREALC-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347039286 264144765 /nfs/dbraw/zinc/14/47/65/264144765.db2.gz GRZLWLYWQHLGDZ-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035947 264145020 /nfs/dbraw/zinc/14/50/20/264145020.db2.gz DRUIBDFXQNAFEC-KBPBESRZSA-N 2 1 312.404 3.464 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035947 264145022 /nfs/dbraw/zinc/14/50/22/264145022.db2.gz DRUIBDFXQNAFEC-KBPBESRZSA-N 2 1 312.404 3.464 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCC(C)C ZINC000347040523 264146152 /nfs/dbraw/zinc/14/61/52/264146152.db2.gz KOQGCKOWPDSYLN-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCC(C)C ZINC000347040523 264146153 /nfs/dbraw/zinc/14/61/53/264146153.db2.gz KOQGCKOWPDSYLN-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000347062572 264149629 /nfs/dbraw/zinc/14/96/29/264149629.db2.gz ZINXPXDLWMSINY-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@@H+]2CCC[C@H](C[NH3+])C2)cccc1OCC ZINC000347138863 264164082 /nfs/dbraw/zinc/16/40/82/264164082.db2.gz VINVGZIQNGPYME-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@H](C[NH3+])C2)cccc1OCC ZINC000347138863 264164084 /nfs/dbraw/zinc/16/40/84/264164084.db2.gz VINVGZIQNGPYME-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000347142628 264164778 /nfs/dbraw/zinc/16/47/78/264164778.db2.gz WVDYUKNJNUDYPL-XJKSGUPXSA-N 2 1 301.459 3.288 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000347142628 264164779 /nfs/dbraw/zinc/16/47/79/264164779.db2.gz WVDYUKNJNUDYPL-XJKSGUPXSA-N 2 1 301.459 3.288 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347144483 264164923 /nfs/dbraw/zinc/16/49/23/264164923.db2.gz XSKKPECFMDVYHM-INIZCTEOSA-N 2 1 312.461 3.166 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347144483 264164924 /nfs/dbraw/zinc/16/49/24/264164924.db2.gz XSKKPECFMDVYHM-INIZCTEOSA-N 2 1 312.461 3.166 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000347150498 264165284 /nfs/dbraw/zinc/16/52/84/264165284.db2.gz ZITMXFLCOGVGRO-LBPRGKRZSA-N 2 1 306.356 3.222 20 0 DGADMP CCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CC[NH2+]CC1 ZINC000347230980 264180223 /nfs/dbraw/zinc/18/02/23/264180223.db2.gz XYYMRTVMGZBYFH-UHFFFAOYSA-N 2 1 306.498 3.219 20 0 DGADMP CCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CC[NH2+]CC1 ZINC000347230980 264180226 /nfs/dbraw/zinc/18/02/26/264180226.db2.gz XYYMRTVMGZBYFH-UHFFFAOYSA-N 2 1 306.498 3.219 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000347438318 264221305 /nfs/dbraw/zinc/22/13/05/264221305.db2.gz MLPVLYRNIUKVPP-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000347438318 264221307 /nfs/dbraw/zinc/22/13/07/264221307.db2.gz MLPVLYRNIUKVPP-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000347438318 264221309 /nfs/dbraw/zinc/22/13/09/264221309.db2.gz MLPVLYRNIUKVPP-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc([C@H](C)N(C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657534 264261411 /nfs/dbraw/zinc/26/14/11/264261411.db2.gz UIEQDHMVEUMKNT-ZDUSSCGKSA-N 2 1 319.474 3.406 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000347711969 264271041 /nfs/dbraw/zinc/27/10/41/264271041.db2.gz SSOYSHFFXUVLNC-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000347711969 264271042 /nfs/dbraw/zinc/27/10/42/264271042.db2.gz SSOYSHFFXUVLNC-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC(=O)CC2)C1 ZINC000347742826 264277087 /nfs/dbraw/zinc/27/70/87/264277087.db2.gz QLINHAUXQHXJFE-FUHWJXTLSA-N 2 1 306.494 3.332 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347849872 264294921 /nfs/dbraw/zinc/29/49/21/264294921.db2.gz JUMYXLRQLZJOHX-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347849872 264294922 /nfs/dbraw/zinc/29/49/22/264294922.db2.gz JUMYXLRQLZJOHX-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874600 264299466 /nfs/dbraw/zinc/29/94/66/264299466.db2.gz VTRKYKMDRACQLJ-RHSMWYFYSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874600 264299468 /nfs/dbraw/zinc/29/94/68/264299468.db2.gz VTRKYKMDRACQLJ-RHSMWYFYSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874600 264299470 /nfs/dbraw/zinc/29/94/70/264299470.db2.gz VTRKYKMDRACQLJ-RHSMWYFYSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874600 264299472 /nfs/dbraw/zinc/29/94/72/264299472.db2.gz VTRKYKMDRACQLJ-RHSMWYFYSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874605 264299786 /nfs/dbraw/zinc/29/97/86/264299786.db2.gz VTRKYKMDRACQLJ-YOEHRIQHSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874605 264299789 /nfs/dbraw/zinc/29/97/89/264299789.db2.gz VTRKYKMDRACQLJ-YOEHRIQHSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874605 264299791 /nfs/dbraw/zinc/29/97/91/264299791.db2.gz VTRKYKMDRACQLJ-YOEHRIQHSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874605 264299794 /nfs/dbraw/zinc/29/97/94/264299794.db2.gz VTRKYKMDRACQLJ-YOEHRIQHSA-N 2 1 320.477 3.317 20 0 DGADMP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000347944532 264311256 /nfs/dbraw/zinc/31/12/56/264311256.db2.gz XNEDLSQWHIMKCF-UKRRQHHQSA-N 2 1 307.507 3.237 20 0 DGADMP C[C@H](NCC[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000347968405 264316274 /nfs/dbraw/zinc/31/62/74/264316274.db2.gz UOGLUQCDCQPJAI-BZSNNMDCSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968405 264316276 /nfs/dbraw/zinc/31/62/76/264316276.db2.gz UOGLUQCDCQPJAI-BZSNNMDCSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968405 264316278 /nfs/dbraw/zinc/31/62/78/264316278.db2.gz UOGLUQCDCQPJAI-BZSNNMDCSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000347968405 264316281 /nfs/dbraw/zinc/31/62/81/264316281.db2.gz UOGLUQCDCQPJAI-BZSNNMDCSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000347968405 264316283 /nfs/dbraw/zinc/31/62/83/264316283.db2.gz UOGLUQCDCQPJAI-BZSNNMDCSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968405 264316285 /nfs/dbraw/zinc/31/62/85/264316285.db2.gz UOGLUQCDCQPJAI-BZSNNMDCSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968405 264316287 /nfs/dbraw/zinc/31/62/87/264316287.db2.gz UOGLUQCDCQPJAI-BZSNNMDCSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000348057913 264330149 /nfs/dbraw/zinc/33/01/49/264330149.db2.gz UWZINJDOODUISF-UKRRQHHQSA-N 2 1 316.367 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000348057913 264330152 /nfs/dbraw/zinc/33/01/52/264330152.db2.gz UWZINJDOODUISF-UKRRQHHQSA-N 2 1 316.367 3.023 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000348065696 264333206 /nfs/dbraw/zinc/33/32/06/264333206.db2.gz CDMISZLYUQRZOW-UHFFFAOYSA-N 2 1 321.465 3.025 20 0 DGADMP COC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1F ZINC000348099624 264340593 /nfs/dbraw/zinc/34/05/93/264340593.db2.gz CCGJGAKTOGEIIU-JMSVASOKSA-N 2 1 314.832 3.239 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000348113594 264342966 /nfs/dbraw/zinc/34/29/66/264342966.db2.gz XOSOSJMECMOACD-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348192585 264361744 /nfs/dbraw/zinc/36/17/44/264361744.db2.gz LYCUCTZPCDWETN-PKOBYXMFSA-N 2 1 316.489 3.039 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348239591 264371245 /nfs/dbraw/zinc/37/12/45/264371245.db2.gz GYOHLWLTVWQJQL-ICSRJNTNSA-N 2 1 316.489 3.269 20 0 DGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000348242103 264372150 /nfs/dbraw/zinc/37/21/50/264372150.db2.gz KDIOUCLDYMMAQG-MOPGFXCFSA-N 2 1 314.473 3.025 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@@H](F)C3)CC2)cc1 ZINC000348338928 264392951 /nfs/dbraw/zinc/39/29/51/264392951.db2.gz VYUSZCVKQXXIET-AEFFLSMTSA-N 2 1 308.416 3.313 20 0 DGADMP C[C@H](F)CC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000352377800 265024171 /nfs/dbraw/zinc/02/41/71/265024171.db2.gz YZXGHNQUVKRPFU-UONOGXRCSA-N 2 1 311.470 3.178 20 0 DGADMP C[C@H](F)CC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000352377800 265024173 /nfs/dbraw/zinc/02/41/73/265024173.db2.gz YZXGHNQUVKRPFU-UONOGXRCSA-N 2 1 311.470 3.178 20 0 DGADMP CCOC1CC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000352413019 265039179 /nfs/dbraw/zinc/03/91/79/265039179.db2.gz KYAHAHMSANQLPU-UHFFFAOYSA-N 2 1 317.477 3.214 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccnn1-c1ccccc1)CC1CCCC1 ZINC000352545495 265084390 /nfs/dbraw/zinc/08/43/90/265084390.db2.gz JNUXLBNRIITDEB-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CC(OC(C)(C)C)C1)Cc1ccccc1 ZINC000352701852 265134729 /nfs/dbraw/zinc/13/47/29/265134729.db2.gz OWYKWLPBTVWWKN-UHFFFAOYSA-N 2 1 304.478 3.444 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCc3ccccc32)s1 ZINC000352782009 265164758 /nfs/dbraw/zinc/16/47/58/265164758.db2.gz BGDZBBXBYQFDIF-CQSZACIVSA-N 2 1 301.459 3.024 20 0 DGADMP CC(C)OCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352827276 265184388 /nfs/dbraw/zinc/18/43/88/265184388.db2.gz VMILLVXSWITGKH-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352827276 265184390 /nfs/dbraw/zinc/18/43/90/265184390.db2.gz VMILLVXSWITGKH-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352827276 265184393 /nfs/dbraw/zinc/18/43/93/265184393.db2.gz VMILLVXSWITGKH-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000352838055 265190774 /nfs/dbraw/zinc/19/07/74/265190774.db2.gz DKLTWGUYWJQVPS-UONOGXRCSA-N 2 1 314.351 3.127 20 0 DGADMP Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000352838055 265190776 /nfs/dbraw/zinc/19/07/76/265190776.db2.gz DKLTWGUYWJQVPS-UONOGXRCSA-N 2 1 314.351 3.127 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(SC)s2)CC1 ZINC000352852489 265198597 /nfs/dbraw/zinc/19/85/97/265198597.db2.gz KISUHGVHKYYIOR-UHFFFAOYSA-N 2 1 314.520 3.061 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128563 265308798 /nfs/dbraw/zinc/30/87/98/265308798.db2.gz ROXKDAFVYQMFHF-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128563 265308800 /nfs/dbraw/zinc/30/88/00/265308800.db2.gz ROXKDAFVYQMFHF-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353128563 265308804 /nfs/dbraw/zinc/30/88/04/265308804.db2.gz ROXKDAFVYQMFHF-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353128563 265308806 /nfs/dbraw/zinc/30/88/06/265308806.db2.gz ROXKDAFVYQMFHF-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)CCN1CCCCC1 ZINC000353164379 265326283 /nfs/dbraw/zinc/32/62/83/265326283.db2.gz GEWPNMPZNSMVTA-UHFFFAOYSA-N 2 1 306.498 3.170 20 0 DGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)CCN1CCCCC1 ZINC000353164379 265326287 /nfs/dbraw/zinc/32/62/87/265326287.db2.gz GEWPNMPZNSMVTA-UHFFFAOYSA-N 2 1 306.498 3.170 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC(F)(F)CC1 ZINC000353247397 265361193 /nfs/dbraw/zinc/36/11/93/265361193.db2.gz ZDAGTGGUYHUKID-GDBMZVCRSA-N 2 1 318.452 3.027 20 0 DGADMP Fc1cccc2[nH]c(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc21 ZINC000355597885 266127941 /nfs/dbraw/zinc/12/79/41/266127941.db2.gz LDCUVQPOLRFOJV-UHFFFAOYSA-N 2 1 301.409 3.414 20 0 DGADMP CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355751027 266173396 /nfs/dbraw/zinc/17/33/96/266173396.db2.gz WDIWADGJBMRQBT-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355751027 266173397 /nfs/dbraw/zinc/17/33/97/266173397.db2.gz WDIWADGJBMRQBT-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355751027 266173398 /nfs/dbraw/zinc/17/33/98/266173398.db2.gz WDIWADGJBMRQBT-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2cscn2)CC1)CC1CC1 ZINC000355890898 266220476 /nfs/dbraw/zinc/22/04/76/266220476.db2.gz MVTVOMAYUQEYBC-UHFFFAOYSA-N 2 1 307.507 3.477 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cscn2)CC1)CC1CC1 ZINC000355890898 266220480 /nfs/dbraw/zinc/22/04/80/266220480.db2.gz MVTVOMAYUQEYBC-UHFFFAOYSA-N 2 1 307.507 3.477 20 0 DGADMP C[NH+]1CC[C@@H](CSCCCCSC[C@@H]2CC[N@H+](C)C2)C1 ZINC000355925457 266231885 /nfs/dbraw/zinc/23/18/85/266231885.db2.gz ALCQJXQJEFUHLH-HZPDHXFCSA-N 2 1 316.580 3.136 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1nccn1C ZINC000182833610 432233917 /nfs/dbraw/zinc/23/39/17/432233917.db2.gz GZOLCRFTRTUEHZ-QGZVFWFLSA-N 2 1 300.450 3.113 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1nccn1C ZINC000182833610 432233922 /nfs/dbraw/zinc/23/39/22/432233922.db2.gz GZOLCRFTRTUEHZ-QGZVFWFLSA-N 2 1 300.450 3.113 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCn2ccnc2)CC1 ZINC000182861921 432236509 /nfs/dbraw/zinc/23/65/09/432236509.db2.gz SKFCMQQVGUZTGF-SFHVURJKSA-N 2 1 318.509 3.250 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc(Cl)c1 ZINC000191278040 432243977 /nfs/dbraw/zinc/24/39/77/432243977.db2.gz LVAVSYXMQSHAGG-GXTWGEPZSA-N 2 1 316.898 3.289 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(CO)c1 ZINC000270420717 432244983 /nfs/dbraw/zinc/24/49/83/432244983.db2.gz FJNPVAZVHHYTAS-BBWFWOEESA-N 2 1 304.478 3.198 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000359900158 271012924 /nfs/dbraw/zinc/01/29/24/271012924.db2.gz OJEIMRLZKJGKRJ-IBGZPJMESA-N 2 1 312.457 3.241 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@H](c4nccn4C)C3)cc2c1 ZINC000367708637 271068683 /nfs/dbraw/zinc/06/86/83/271068683.db2.gz VJDSIXWKUKNORV-ZDUSSCGKSA-N 2 1 311.385 3.164 20 0 DGADMP Cc1cccc(CCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000367950094 271103009 /nfs/dbraw/zinc/10/30/09/271103009.db2.gz JYBLJNMQHNKUFB-HSALFYBXSA-N 2 1 316.489 3.111 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367997234 271109879 /nfs/dbraw/zinc/10/98/79/271109879.db2.gz LHIMVXZARFOYGM-WWGRRREGSA-N 2 1 304.409 3.038 20 0 DGADMP CCOC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368585456 271176676 /nfs/dbraw/zinc/17/66/76/271176676.db2.gz RADIZULOQXCACX-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000449221609 287685360 /nfs/dbraw/zinc/68/53/60/287685360.db2.gz GUPUKVFJANMLCG-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247960531 432256876 /nfs/dbraw/zinc/25/68/76/432256876.db2.gz GEAYBUNQWNVUDM-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247960531 432256879 /nfs/dbraw/zinc/25/68/79/432256879.db2.gz GEAYBUNQWNVUDM-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247960531 432256883 /nfs/dbraw/zinc/25/68/83/432256883.db2.gz GEAYBUNQWNVUDM-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970618 432257248 /nfs/dbraw/zinc/25/72/48/432257248.db2.gz FQKBXQPJMGPSBO-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970618 432257252 /nfs/dbraw/zinc/25/72/52/432257252.db2.gz FQKBXQPJMGPSBO-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970618 432257257 /nfs/dbraw/zinc/25/72/57/432257257.db2.gz FQKBXQPJMGPSBO-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970618 432257258 /nfs/dbraw/zinc/25/72/58/432257258.db2.gz FQKBXQPJMGPSBO-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000247968025 432257506 /nfs/dbraw/zinc/25/75/06/432257506.db2.gz HAFXDZSZLNWCFP-DOTOQJQBSA-N 2 1 320.477 3.099 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000159102180 274019916 /nfs/dbraw/zinc/01/99/16/274019916.db2.gz IOPDBPHAROWXIR-KRWDZBQOSA-N 2 1 320.477 3.384 20 0 DGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442838572 274217787 /nfs/dbraw/zinc/21/77/87/274217787.db2.gz ACIONZXEVLNMOU-JKSUJKDBSA-N 2 1 311.473 3.489 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000422767601 274255147 /nfs/dbraw/zinc/25/51/47/274255147.db2.gz SZFFSYYJZCNTHR-YWPYICTPSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000316753336 274318149 /nfs/dbraw/zinc/31/81/49/274318149.db2.gz UMYCVXIPKFARNN-DRMAHVMPSA-N 2 1 300.446 3.078 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000316753336 274318150 /nfs/dbraw/zinc/31/81/50/274318150.db2.gz UMYCVXIPKFARNN-DRMAHVMPSA-N 2 1 300.446 3.078 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273484235 274340392 /nfs/dbraw/zinc/34/03/92/274340392.db2.gz VGHRDTWUUFOQRQ-CUDZTTRCSA-N 2 1 320.452 3.364 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000275117951 274355156 /nfs/dbraw/zinc/35/51/56/274355156.db2.gz JUYDNWKSVWMFJV-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000275117951 274355157 /nfs/dbraw/zinc/35/51/57/274355157.db2.gz JUYDNWKSVWMFJV-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)CC[NH2+]1 ZINC000423367361 274394750 /nfs/dbraw/zinc/39/47/50/274394750.db2.gz AGFYPBDFEMNECQ-YWVKMMECSA-N 2 1 315.280 3.228 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC(C)(C)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000193140638 274703715 /nfs/dbraw/zinc/70/37/15/274703715.db2.gz YXPXHRYQXSOJOP-GUYCJALGSA-N 2 1 316.493 3.477 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449093722 274860949 /nfs/dbraw/zinc/86/09/49/274860949.db2.gz XJCTXMSLXPYTMS-ZDUSSCGKSA-N 2 1 309.335 3.276 20 0 DGADMP c1csc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420337942 275074779 /nfs/dbraw/zinc/07/47/79/275074779.db2.gz KJMKPVWHLPZCJO-ZIAGYGMSSA-N 2 1 317.458 3.225 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414935183 275769915 /nfs/dbraw/zinc/76/99/15/275769915.db2.gz ATYWTFCJEUULDB-QAPCUYQASA-N 2 1 312.461 3.083 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126692 276073163 /nfs/dbraw/zinc/07/31/63/276073163.db2.gz XYHXPNFKYDHQGL-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126692 276073164 /nfs/dbraw/zinc/07/31/64/276073164.db2.gz XYHXPNFKYDHQGL-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126692 276073166 /nfs/dbraw/zinc/07/31/66/276073166.db2.gz XYHXPNFKYDHQGL-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126692 276073167 /nfs/dbraw/zinc/07/31/67/276073167.db2.gz XYHXPNFKYDHQGL-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000183270462 276075993 /nfs/dbraw/zinc/07/59/93/276075993.db2.gz IIHGMVBTFZUBPF-GOSISDBHSA-N 2 1 312.461 3.113 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000183270462 276075994 /nfs/dbraw/zinc/07/59/94/276075994.db2.gz IIHGMVBTFZUBPF-GOSISDBHSA-N 2 1 312.461 3.113 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000245950334 276198776 /nfs/dbraw/zinc/19/87/76/276198776.db2.gz YPLRZRLLIVAASI-HZPDHXFCSA-N 2 1 321.896 3.113 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128380 276307185 /nfs/dbraw/zinc/30/71/85/276307185.db2.gz NJELLHVWISSXMV-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128380 276307188 /nfs/dbraw/zinc/30/71/88/276307188.db2.gz NJELLHVWISSXMV-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128380 276307189 /nfs/dbraw/zinc/30/71/89/276307189.db2.gz NJELLHVWISSXMV-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128380 276307190 /nfs/dbraw/zinc/30/71/90/276307190.db2.gz NJELLHVWISSXMV-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000163560964 276334688 /nfs/dbraw/zinc/33/46/88/276334688.db2.gz JMODVKQMQLVYPS-VQIMIIECSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000163560964 276334690 /nfs/dbraw/zinc/33/46/90/276334690.db2.gz JMODVKQMQLVYPS-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000163560964 276334692 /nfs/dbraw/zinc/33/46/92/276334692.db2.gz JMODVKQMQLVYPS-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000163560964 276334695 /nfs/dbraw/zinc/33/46/95/276334695.db2.gz JMODVKQMQLVYPS-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C12CCCC2 ZINC000422809093 276354059 /nfs/dbraw/zinc/35/40/59/276354059.db2.gz RHQFBSMJLIISRA-ZJPYXAASSA-N 2 1 300.446 3.459 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)=C[C@@H](C)C2)CC1 ZINC000430876561 276388743 /nfs/dbraw/zinc/38/87/43/276388743.db2.gz RGPBBYYKMWIKOO-QGZVFWFLSA-N 2 1 313.489 3.227 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340307124 277203457 /nfs/dbraw/zinc/20/34/57/277203457.db2.gz NDABSPHEINBHPQ-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340307124 277203458 /nfs/dbraw/zinc/20/34/58/277203458.db2.gz NDABSPHEINBHPQ-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541308 277275603 /nfs/dbraw/zinc/27/56/03/277275603.db2.gz PQAALAYWYLBOJX-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541308 277275604 /nfs/dbraw/zinc/27/56/04/277275604.db2.gz PQAALAYWYLBOJX-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090718534 278008469 /nfs/dbraw/zinc/00/84/69/278008469.db2.gz VNJZBEDWVFNKOU-RKVPGOIHSA-N 2 1 304.478 3.291 20 0 DGADMP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275455661 278176495 /nfs/dbraw/zinc/17/64/95/278176495.db2.gz GVJJNKVTJMEOSK-GJZGRUSLSA-N 2 1 315.486 3.388 20 0 DGADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423280161 278236014 /nfs/dbraw/zinc/23/60/14/278236014.db2.gz SILOMAVNFZZWLH-NHYWBVRUSA-N 2 1 300.368 3.353 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000161783797 278344363 /nfs/dbraw/zinc/34/43/63/278344363.db2.gz XANYBDVEVLQEOS-ZHRRBRCNSA-N 2 1 322.518 3.197 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000423536555 278380053 /nfs/dbraw/zinc/38/00/53/278380053.db2.gz ZPYRIFIWNNQZQS-CZUORRHYSA-N 2 1 304.434 3.016 20 0 DGADMP CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000423068206 288050434 /nfs/dbraw/zinc/05/04/34/288050434.db2.gz BDUUBYNJKLWISN-LEAZDLGRSA-N 2 1 318.505 3.127 20 0 DGADMP Cc1c[nH+]ccc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192668787 279027345 /nfs/dbraw/zinc/02/73/45/279027345.db2.gz LNFCWJSSEMLDBS-CALCHBBNSA-N 2 1 317.477 3.106 20 0 DGADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC1CC1 ZINC000125655574 279240445 /nfs/dbraw/zinc/24/04/45/279240445.db2.gz MHVGEEGWWKLBBN-UHFFFAOYSA-N 2 1 315.505 3.449 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111695445 431233577 /nfs/dbraw/zinc/23/35/77/431233577.db2.gz LFULCMSYOYZZGK-WCQYABFASA-N 2 1 302.340 3.144 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000070169643 431241538 /nfs/dbraw/zinc/24/15/38/431241538.db2.gz LTZSHPCSDCDQNG-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000070169643 431241544 /nfs/dbraw/zinc/24/15/44/431241544.db2.gz LTZSHPCSDCDQNG-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000113514210 431352386 /nfs/dbraw/zinc/35/23/86/431352386.db2.gz LKFCWMQZBHATQZ-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000115546247 431459082 /nfs/dbraw/zinc/45/90/82/431459082.db2.gz YEXTVSQQTCSQFI-UHFFFAOYSA-N 2 1 312.457 3.118 20 0 DGADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000115546247 431459089 /nfs/dbraw/zinc/45/90/89/431459089.db2.gz YEXTVSQQTCSQFI-UHFFFAOYSA-N 2 1 312.457 3.118 20 0 DGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(F)c1 ZINC000116396493 431508248 /nfs/dbraw/zinc/50/82/48/431508248.db2.gz XEACPYYOMIJGGJ-BBRMVZONSA-N 2 1 323.456 3.109 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000077175674 431570377 /nfs/dbraw/zinc/57/03/77/431570377.db2.gz VZMAZWVTDUDNDW-RBUKOAKNSA-N 2 1 307.526 3.059 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000077249703 431579827 /nfs/dbraw/zinc/57/98/27/431579827.db2.gz CFWWSYQDHGYTBS-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000077249703 431579838 /nfs/dbraw/zinc/57/98/38/431579838.db2.gz CFWWSYQDHGYTBS-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP COCCCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000119472271 431695130 /nfs/dbraw/zinc/69/51/30/431695130.db2.gz SHHREWVRDNLOKZ-LJQANCHMSA-N 2 1 304.478 3.400 20 0 DGADMP COCCCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000119472271 431695138 /nfs/dbraw/zinc/69/51/38/431695138.db2.gz SHHREWVRDNLOKZ-LJQANCHMSA-N 2 1 304.478 3.400 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)o2)CC1 ZINC000079914882 431752287 /nfs/dbraw/zinc/75/22/87/431752287.db2.gz KZKRAYHGNDPRQB-UHFFFAOYSA-N 2 1 322.449 3.010 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121241128 431758577 /nfs/dbraw/zinc/75/85/77/431758577.db2.gz KKHOMWHONLNPBT-FJIDUMEYSA-N 2 1 306.494 3.046 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000121241148 431759544 /nfs/dbraw/zinc/75/95/44/431759544.db2.gz QEXKCEOITNSBIL-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000121241148 431759548 /nfs/dbraw/zinc/75/95/48/431759548.db2.gz QEXKCEOITNSBIL-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000121241148 431759554 /nfs/dbraw/zinc/75/95/54/431759554.db2.gz QEXKCEOITNSBIL-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000121241148 431759560 /nfs/dbraw/zinc/75/95/60/431759560.db2.gz QEXKCEOITNSBIL-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000121241432 431760104 /nfs/dbraw/zinc/76/01/04/431760104.db2.gz QEXKCEOITNSBIL-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000121241432 431760111 /nfs/dbraw/zinc/76/01/11/431760111.db2.gz QEXKCEOITNSBIL-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000121241432 431760119 /nfs/dbraw/zinc/76/01/19/431760119.db2.gz QEXKCEOITNSBIL-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000121241432 431760128 /nfs/dbraw/zinc/76/01/28/431760128.db2.gz QEXKCEOITNSBIL-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000121497712 431796152 /nfs/dbraw/zinc/79/61/52/431796152.db2.gz VLVHYUAFAFFCEN-ZIAGYGMSSA-N 2 1 318.440 3.384 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000081634719 431799787 /nfs/dbraw/zinc/79/97/87/431799787.db2.gz DNLWEOLBASVMNY-KRWDZBQOSA-N 2 1 304.503 3.442 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000081634719 431799792 /nfs/dbraw/zinc/79/97/92/431799792.db2.gz DNLWEOLBASVMNY-KRWDZBQOSA-N 2 1 304.503 3.442 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000081634719 431799801 /nfs/dbraw/zinc/79/98/01/431799801.db2.gz DNLWEOLBASVMNY-KRWDZBQOSA-N 2 1 304.503 3.442 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000081634719 431799808 /nfs/dbraw/zinc/79/98/08/431799808.db2.gz DNLWEOLBASVMNY-KRWDZBQOSA-N 2 1 304.503 3.442 20 0 DGADMP COCCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122697613 431841742 /nfs/dbraw/zinc/84/17/42/431841742.db2.gz MDVDPMJMHBLIKE-UHFFFAOYSA-N 2 1 322.468 3.239 20 0 DGADMP Brc1csc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408373 431846424 /nfs/dbraw/zinc/84/64/24/431846424.db2.gz CDIIFIOBXAWHHR-SNVBAGLBSA-N 2 1 315.280 3.085 20 0 DGADMP Brc1csc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408372 431846867 /nfs/dbraw/zinc/84/68/67/431846867.db2.gz CDIIFIOBXAWHHR-JTQLQIEISA-N 2 1 315.280 3.085 20 0 DGADMP CCC[N@@H+](Cc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000037538941 431848036 /nfs/dbraw/zinc/84/80/36/431848036.db2.gz SHOYSWNHOSUDPO-UHFFFAOYSA-N 2 1 311.267 3.413 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000037644293 431848401 /nfs/dbraw/zinc/84/84/01/431848401.db2.gz QYYQFDHJMMGCIN-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000037644293 431848402 /nfs/dbraw/zinc/84/84/02/431848402.db2.gz QYYQFDHJMMGCIN-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000089516832 431869100 /nfs/dbraw/zinc/86/91/00/431869100.db2.gz KOMJRMRGGZWUNG-RVKKMQEKSA-N 2 1 304.478 3.291 20 0 DGADMP CC[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000092560940 431909586 /nfs/dbraw/zinc/90/95/86/431909586.db2.gz POPBZTDRQWZLOB-OFLPRAFFSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564012 431915690 /nfs/dbraw/zinc/91/56/90/431915690.db2.gz OSOKMRRAKCGZKO-MRXNPFEDSA-N 2 1 304.482 3.158 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564012 431915693 /nfs/dbraw/zinc/91/56/93/431915693.db2.gz OSOKMRRAKCGZKO-MRXNPFEDSA-N 2 1 304.482 3.158 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000125238253 431918582 /nfs/dbraw/zinc/91/85/82/431918582.db2.gz LODUWDRXOXYURA-QGTPRVQTSA-N 2 1 304.478 3.090 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000125238650 431918913 /nfs/dbraw/zinc/91/89/13/431918913.db2.gz LODUWDRXOXYURA-WBAXXEDZSA-N 2 1 304.478 3.090 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000125449914 431925279 /nfs/dbraw/zinc/92/52/79/431925279.db2.gz NSOKSTVRTUTNLP-DOTOQJQBSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCN1C ZINC000125449914 431925281 /nfs/dbraw/zinc/92/52/81/431925281.db2.gz NSOKSTVRTUTNLP-DOTOQJQBSA-N 2 1 321.534 3.032 20 0 DGADMP C[C@H]1CCC[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000124211114 431886250 /nfs/dbraw/zinc/88/62/50/431886250.db2.gz CRJKCJYYIJQLSI-ROUUACIJSA-N 2 1 308.510 3.437 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1nc2ccccc2n1C(F)F ZINC000124284589 431888596 /nfs/dbraw/zinc/88/85/96/431888596.db2.gz ROQBNIYRCFOKDT-UHFFFAOYSA-N 2 1 319.359 3.150 20 0 DGADMP CN(CCCn1ccnc1)Cc1nc2ccccc2n1C(F)F ZINC000124284589 431888597 /nfs/dbraw/zinc/88/85/97/431888597.db2.gz ROQBNIYRCFOKDT-UHFFFAOYSA-N 2 1 319.359 3.150 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000124347475 431890975 /nfs/dbraw/zinc/89/09/75/431890975.db2.gz ZQAPGRGGUQPHAN-QWHCGFSZSA-N 2 1 310.388 3.423 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000090720939 431894698 /nfs/dbraw/zinc/89/46/98/431894698.db2.gz BFBWSEKUKOTNPW-JQWIXIFHSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000090720939 431894700 /nfs/dbraw/zinc/89/47/00/431894700.db2.gz BFBWSEKUKOTNPW-JQWIXIFHSA-N 2 1 315.230 3.161 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(OC)c2)[C@H](C)C1 ZINC000090718355 431894998 /nfs/dbraw/zinc/89/49/98/431894998.db2.gz MBLPVHADRACETM-CRAIPNDOSA-N 2 1 304.478 3.293 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000090937213 431897331 /nfs/dbraw/zinc/89/73/31/431897331.db2.gz BXMGZOROWPLNQC-AWEZNQCLSA-N 2 1 317.433 3.028 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000090920575 431898086 /nfs/dbraw/zinc/89/80/86/431898086.db2.gz GZTLEZIUPPSNOR-YFHUEUNASA-N 2 1 319.468 3.113 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704722 431902109 /nfs/dbraw/zinc/90/21/09/431902109.db2.gz SDYSKRINWQVPHS-DLBZAZTESA-N 2 1 316.445 3.079 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704722 431902111 /nfs/dbraw/zinc/90/21/11/431902111.db2.gz SDYSKRINWQVPHS-DLBZAZTESA-N 2 1 316.445 3.079 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704722 431902113 /nfs/dbraw/zinc/90/21/13/431902113.db2.gz SDYSKRINWQVPHS-DLBZAZTESA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704722 431902114 /nfs/dbraw/zinc/90/21/14/431902114.db2.gz SDYSKRINWQVPHS-DLBZAZTESA-N 2 1 316.445 3.079 20 0 DGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2n1 ZINC000124888021 431907136 /nfs/dbraw/zinc/90/71/36/431907136.db2.gz ULFNVRAEDRSKQK-QWQRMKEZSA-N 2 1 313.445 3.062 20 0 DGADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000127740286 431979423 /nfs/dbraw/zinc/97/94/23/431979423.db2.gz GIVGCTOBNKJDDG-RTBURBONSA-N 3 1 319.537 3.392 20 0 DGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000098143780 431979782 /nfs/dbraw/zinc/97/97/82/431979782.db2.gz GHSIKJMNWVJSJE-MSOLQXFVSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000126322025 431946899 /nfs/dbraw/zinc/94/68/99/431946899.db2.gz SMVKNIMGSPPHRJ-UHFFFAOYSA-N 2 1 316.445 3.020 20 0 DGADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000126322025 431946903 /nfs/dbraw/zinc/94/69/03/431946903.db2.gz SMVKNIMGSPPHRJ-UHFFFAOYSA-N 2 1 316.445 3.020 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000127313113 431969123 /nfs/dbraw/zinc/96/91/23/431969123.db2.gz JDXFIYPEBAOWOE-LJQANCHMSA-N 2 1 313.445 3.263 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000127313113 431969124 /nfs/dbraw/zinc/96/91/24/431969124.db2.gz JDXFIYPEBAOWOE-LJQANCHMSA-N 2 1 313.445 3.263 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCCCC2 ZINC000128080084 431987140 /nfs/dbraw/zinc/98/71/40/431987140.db2.gz RNVBPPFMFMTQBP-ZJPYXAASSA-N 2 1 306.494 3.331 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000270657740 432271960 /nfs/dbraw/zinc/27/19/60/432271960.db2.gz NUJYBZAPQCFDMP-SFHVURJKSA-N 2 1 319.424 3.022 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000270657740 432271965 /nfs/dbraw/zinc/27/19/65/432271965.db2.gz NUJYBZAPQCFDMP-SFHVURJKSA-N 2 1 319.424 3.022 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccc(F)cc3)CC[C@H]21 ZINC000248200830 432276081 /nfs/dbraw/zinc/27/60/81/432276081.db2.gz YREZEIIDVYGZBB-WMLDXEAASA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccc(F)cc3)CC[C@H]21 ZINC000248200830 432276082 /nfs/dbraw/zinc/27/60/82/432276082.db2.gz YREZEIIDVYGZBB-WMLDXEAASA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccc(F)cc3)CC[C@H]21 ZINC000248200830 432276084 /nfs/dbraw/zinc/27/60/84/432276084.db2.gz YREZEIIDVYGZBB-WMLDXEAASA-N 2 1 308.466 3.334 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248402637 432284521 /nfs/dbraw/zinc/28/45/21/432284521.db2.gz NNTCSMCHQDBGNI-GSEOLPGOSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000248528504 432298723 /nfs/dbraw/zinc/29/87/23/432298723.db2.gz JGOPQKHVFNIETE-HZPDHXFCSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000248528504 432298727 /nfs/dbraw/zinc/29/87/27/432298727.db2.gz JGOPQKHVFNIETE-HZPDHXFCSA-N 2 1 318.461 3.373 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000270876173 432298771 /nfs/dbraw/zinc/29/87/71/432298771.db2.gz MMTHUHWCCNJCKJ-UHFFFAOYSA-N 2 1 305.372 3.349 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000270584521 432261802 /nfs/dbraw/zinc/26/18/02/432261802.db2.gz DFWMYFNBULBKHB-UHFFFAOYSA-N 2 1 321.428 3.247 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000270584521 432261804 /nfs/dbraw/zinc/26/18/04/432261804.db2.gz DFWMYFNBULBKHB-UHFFFAOYSA-N 2 1 321.428 3.247 20 0 DGADMP CC[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248746258 432316508 /nfs/dbraw/zinc/31/65/08/432316508.db2.gz SDBXCWJEMGBSON-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248746258 432316513 /nfs/dbraw/zinc/31/65/13/432316513.db2.gz SDBXCWJEMGBSON-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000248746258 432316517 /nfs/dbraw/zinc/31/65/17/432316517.db2.gz SDBXCWJEMGBSON-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCOC2)C3)cc1 ZINC000248761669 432318684 /nfs/dbraw/zinc/31/86/84/432318684.db2.gz DQSCUJUFICWLRN-YSTOQKLRSA-N 2 1 314.473 3.198 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192036379 432327920 /nfs/dbraw/zinc/32/79/20/432327920.db2.gz KRSKZUOPPSJHMM-GOSISDBHSA-N 2 1 324.472 3.098 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152407609 432330761 /nfs/dbraw/zinc/33/07/61/432330761.db2.gz CNOOOTKELLRVSI-OLZOCXBDSA-N 2 1 308.853 3.484 20 0 DGADMP COC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000248995606 432332617 /nfs/dbraw/zinc/33/26/17/432332617.db2.gz OXFSUVZQBZCALQ-REPLKXPHSA-N 2 1 314.473 3.341 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192131453 432335859 /nfs/dbraw/zinc/33/58/59/432335859.db2.gz AZOHBBZJLVEAQQ-IRXDYDNUSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@H]1CC[NH+](CCCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192185457 432343062 /nfs/dbraw/zinc/34/30/62/432343062.db2.gz SCBZFGJPBLITTE-HOTGVXAUSA-N 2 1 316.580 3.421 20 0 DGADMP FC(F)OCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249304645 432344097 /nfs/dbraw/zinc/34/40/97/432344097.db2.gz SZPFUZPGEGDQQH-BJWYYQGGSA-N 2 1 324.415 3.401 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000249319755 432344732 /nfs/dbraw/zinc/34/47/32/432344732.db2.gz QEXKCEOITNSBIL-MBOZVWFJSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000249319755 432344733 /nfs/dbraw/zinc/34/47/33/432344733.db2.gz QEXKCEOITNSBIL-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000249319755 432344734 /nfs/dbraw/zinc/34/47/34/432344734.db2.gz QEXKCEOITNSBIL-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000249319755 432344735 /nfs/dbraw/zinc/34/47/35/432344735.db2.gz QEXKCEOITNSBIL-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174460381 432348348 /nfs/dbraw/zinc/34/83/48/432348348.db2.gz ZKMJKMNSVLCSAX-PBHICJAKSA-N 2 1 303.475 3.259 20 0 DGADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000174460381 432348351 /nfs/dbraw/zinc/34/83/51/432348351.db2.gz ZKMJKMNSVLCSAX-PBHICJAKSA-N 2 1 303.475 3.259 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248602212 432304303 /nfs/dbraw/zinc/30/43/03/432304303.db2.gz VJJRPRPNPICIMZ-QYZOEREBSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248602212 432304306 /nfs/dbraw/zinc/30/43/06/432304306.db2.gz VJJRPRPNPICIMZ-QYZOEREBSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248602212 432304310 /nfs/dbraw/zinc/30/43/10/432304310.db2.gz VJJRPRPNPICIMZ-QYZOEREBSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248602212 432304314 /nfs/dbraw/zinc/30/43/14/432304314.db2.gz VJJRPRPNPICIMZ-QYZOEREBSA-N 2 1 324.509 3.116 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cnn1C ZINC000153004040 432375548 /nfs/dbraw/zinc/37/55/48/432375548.db2.gz IWLOAXYYCINPPV-CQSZACIVSA-N 2 1 304.482 3.176 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000252457091 432376402 /nfs/dbraw/zinc/37/64/02/432376402.db2.gz ZVBRGDOPHHXSSN-LRDDRELGSA-N 2 1 323.278 3.368 20 0 DGADMP CC1CC([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000184315243 432378368 /nfs/dbraw/zinc/37/83/68/432378368.db2.gz QYSDBAKUOCFNRD-VVVNUSAQSA-N 2 1 302.462 3.184 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000252537002 432382805 /nfs/dbraw/zinc/38/28/05/432382805.db2.gz KCSJBNNFCOLILW-WZGPROSRSA-N 2 1 302.462 3.084 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271393637 432387187 /nfs/dbraw/zinc/38/71/87/432387187.db2.gz MHVAZLFESGPHFW-QGZVFWFLSA-N 2 1 323.444 3.096 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271393637 432387190 /nfs/dbraw/zinc/38/71/90/432387190.db2.gz MHVAZLFESGPHFW-QGZVFWFLSA-N 2 1 323.444 3.096 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000153256330 432395821 /nfs/dbraw/zinc/39/58/21/432395821.db2.gz BZEKHKHLMFLUPP-KRWDZBQOSA-N 2 1 316.489 3.098 20 0 DGADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935881 432430024 /nfs/dbraw/zinc/43/00/24/432430024.db2.gz CFSFFKFBOIJGTF-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP OCCCCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000192934027 432430847 /nfs/dbraw/zinc/43/08/47/432430847.db2.gz FHQRRWMHVNOIEH-ZCNNSNEGSA-N 2 1 316.489 3.039 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000261541529 432431006 /nfs/dbraw/zinc/43/10/06/432431006.db2.gz BGEFZJZLXYXNAF-CTNGQTDRSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000261541529 432431009 /nfs/dbraw/zinc/43/10/09/432431009.db2.gz BGEFZJZLXYXNAF-CTNGQTDRSA-N 2 1 322.452 3.449 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@H]21 ZINC000261616080 432434906 /nfs/dbraw/zinc/43/49/06/432434906.db2.gz BRJGAKGVUQIOGQ-DFQSSKMNSA-N 2 1 310.441 3.278 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261658791 432439363 /nfs/dbraw/zinc/43/93/63/432439363.db2.gz IBOBWCVKNBEVNK-FQEVSTJZSA-N 2 1 310.441 3.436 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000153763826 432440708 /nfs/dbraw/zinc/44/07/08/432440708.db2.gz TWOAXSIBYMWCLC-GFCCVEGCSA-N 2 1 302.821 3.098 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153812888 432445115 /nfs/dbraw/zinc/44/51/15/432445115.db2.gz PUXFVDKOTKNICK-OMZCVMJRSA-N 2 1 316.489 3.473 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000261770303 432449230 /nfs/dbraw/zinc/44/92/30/432449230.db2.gz MHTVSUONZJANEU-FQEVSTJZSA-N 2 1 310.441 3.436 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@H]12 ZINC000261802108 432449790 /nfs/dbraw/zinc/44/97/90/432449790.db2.gz HBDHAZPDPVXYBG-RRQGHBQHSA-N 2 1 320.864 3.298 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@H]12 ZINC000261802108 432449793 /nfs/dbraw/zinc/44/97/93/432449793.db2.gz HBDHAZPDPVXYBG-RRQGHBQHSA-N 2 1 320.864 3.298 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cccc1OCC ZINC000261878357 432457868 /nfs/dbraw/zinc/45/78/68/432457868.db2.gz UHJNADRKJSPOJQ-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cccc1OCC ZINC000261878357 432457873 /nfs/dbraw/zinc/45/78/73/432457873.db2.gz UHJNADRKJSPOJQ-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153607174 432425125 /nfs/dbraw/zinc/42/51/25/432425125.db2.gz DHGSPZRHNOTCJE-AOIWGVFYSA-N 2 1 316.489 3.053 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000271868043 432425976 /nfs/dbraw/zinc/42/59/76/432425976.db2.gz LVPPOMSDIFGJQV-LBPRGKRZSA-N 2 1 318.852 3.139 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000272246970 432471084 /nfs/dbraw/zinc/47/10/84/432471084.db2.gz BNSNIBOTWLPEHC-OAHLLOKOSA-N 2 1 308.429 3.128 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000262051604 432471485 /nfs/dbraw/zinc/47/14/85/432471485.db2.gz ZPBCTKRINDSJOU-WMZOPIPTSA-N 2 1 324.472 3.409 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136203 432475356 /nfs/dbraw/zinc/47/53/56/432475356.db2.gz YSJJJXFWKYCKDW-XJKSGUPXSA-N 2 1 323.278 3.238 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136203 432475359 /nfs/dbraw/zinc/47/53/59/432475359.db2.gz YSJJJXFWKYCKDW-XJKSGUPXSA-N 2 1 323.278 3.238 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304981 432480159 /nfs/dbraw/zinc/48/01/59/432480159.db2.gz HPTHJYSZVFRKLF-ZIFCJYIRSA-N 2 1 304.478 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]21 ZINC000262333877 432482401 /nfs/dbraw/zinc/48/24/01/432482401.db2.gz SRZGLGONNSJRTB-SRCQZFHVSA-N 2 1 315.848 3.447 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272326982 432482855 /nfs/dbraw/zinc/48/28/55/432482855.db2.gz MDVFBWPVDVRFHA-SQGPQFPESA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC000272327973 432483034 /nfs/dbraw/zinc/48/30/34/432483034.db2.gz XIVFQTYDPGJHIC-APWZRJJASA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC000272327973 432483039 /nfs/dbraw/zinc/48/30/39/432483039.db2.gz XIVFQTYDPGJHIC-APWZRJJASA-N 2 1 302.462 3.056 20 0 DGADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000262416961 432485128 /nfs/dbraw/zinc/48/51/28/432485128.db2.gz DRWFPQWTYBDAJK-CQSZACIVSA-N 2 1 324.852 3.075 20 0 DGADMP Cc1cc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C(C)C ZINC000262437103 432485700 /nfs/dbraw/zinc/48/57/00/432485700.db2.gz GLIYHVGBWNQIBV-LPHOPBHVSA-N 2 1 302.462 3.181 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C(C)C ZINC000262437103 432485705 /nfs/dbraw/zinc/48/57/05/432485705.db2.gz GLIYHVGBWNQIBV-LPHOPBHVSA-N 2 1 302.462 3.181 20 0 DGADMP C[C@@H](N[C@@H](C)c1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346000 432485904 /nfs/dbraw/zinc/48/59/04/432485904.db2.gz PVAIRZLYOJEFOF-RYRKJORJSA-N 2 1 310.445 3.038 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]12 ZINC000262449771 432486218 /nfs/dbraw/zinc/48/62/18/432486218.db2.gz HPYFNFUDUWLECV-DAXOMENPSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]12 ZINC000262449771 432486219 /nfs/dbraw/zinc/48/62/19/432486219.db2.gz HPYFNFUDUWLECV-DAXOMENPSA-N 2 1 317.820 3.164 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360303 432489936 /nfs/dbraw/zinc/48/99/36/432489936.db2.gz SCGBKRVEPMJUIO-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360303 432489938 /nfs/dbraw/zinc/48/99/38/432489938.db2.gz SCGBKRVEPMJUIO-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000272360303 432489942 /nfs/dbraw/zinc/48/99/42/432489942.db2.gz SCGBKRVEPMJUIO-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000272360303 432489945 /nfs/dbraw/zinc/48/99/45/432489945.db2.gz SCGBKRVEPMJUIO-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376117 432491452 /nfs/dbraw/zinc/49/14/52/432491452.db2.gz VNCLVDODHQCIAI-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000262565491 432491474 /nfs/dbraw/zinc/49/14/74/432491474.db2.gz WLVYHTPGVHMROC-AEGPPILISA-N 2 1 315.848 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000262565491 432491477 /nfs/dbraw/zinc/49/14/77/432491477.db2.gz WLVYHTPGVHMROC-AEGPPILISA-N 2 1 315.848 3.366 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000154479559 432500678 /nfs/dbraw/zinc/50/06/78/432500678.db2.gz PPUWYROCTOZTBP-MOPGFXCFSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455764 432506010 /nfs/dbraw/zinc/50/60/10/432506010.db2.gz JXIAQMYSYXWNNU-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635530 432511782 /nfs/dbraw/zinc/51/17/82/432511782.db2.gz YRDAVNBTDGVMAN-ZYHUDNBSSA-N 2 1 302.340 3.172 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635530 432511787 /nfs/dbraw/zinc/51/17/87/432511787.db2.gz YRDAVNBTDGVMAN-ZYHUDNBSSA-N 2 1 302.340 3.172 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261934569 432462688 /nfs/dbraw/zinc/46/26/88/432462688.db2.gz TXHHRYQZVZGNES-IEZWGBDMSA-N 2 1 310.441 3.408 20 0 DGADMP CCC[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC[NH2+]CC1 ZINC000261958662 432463959 /nfs/dbraw/zinc/46/39/59/432463959.db2.gz OXXBSRBRZDVBNL-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261977836 432466291 /nfs/dbraw/zinc/46/62/91/432466291.db2.gz IWTAAFICYQIKNT-FQEVSTJZSA-N 2 1 324.472 3.181 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261977836 432466296 /nfs/dbraw/zinc/46/62/96/432466296.db2.gz IWTAAFICYQIKNT-FQEVSTJZSA-N 2 1 324.472 3.181 20 0 DGADMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261999561 432467056 /nfs/dbraw/zinc/46/70/56/432467056.db2.gz UADKDNYXKSXRPZ-DUVNUKRYSA-N 2 1 308.853 3.298 20 0 DGADMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261999561 432467062 /nfs/dbraw/zinc/46/70/62/432467062.db2.gz UADKDNYXKSXRPZ-DUVNUKRYSA-N 2 1 308.853 3.298 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)C[C@H]1c1ccccc1 ZINC000262033380 432470048 /nfs/dbraw/zinc/47/00/48/432470048.db2.gz XKAPKJMBNORFOQ-CVEARBPZSA-N 2 1 313.470 3.195 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000194420710 432549911 /nfs/dbraw/zinc/54/99/11/432549911.db2.gz SUFNOGPALKKLIP-ZDUSSCGKSA-N 2 1 305.447 3.177 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527927 432517568 /nfs/dbraw/zinc/51/75/68/432517568.db2.gz AONGSCCHYZVWMI-FXAWDEMLSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272540487 432520589 /nfs/dbraw/zinc/52/05/89/432520589.db2.gz CLABLKYKOYRTDV-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000154858840 432524732 /nfs/dbraw/zinc/52/47/32/432524732.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000154858840 432524736 /nfs/dbraw/zinc/52/47/36/432524736.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000154858840 432524740 /nfs/dbraw/zinc/52/47/40/432524740.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000154858840 432524742 /nfs/dbraw/zinc/52/47/42/432524742.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000154858840 432524747 /nfs/dbraw/zinc/52/47/47/432524747.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000154858840 432524748 /nfs/dbraw/zinc/52/47/48/432524748.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000154858840 432524753 /nfs/dbraw/zinc/52/47/53/432524753.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000154858840 432524754 /nfs/dbraw/zinc/52/47/54/432524754.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000154858840 432524757 /nfs/dbraw/zinc/52/47/57/432524757.db2.gz QDFOYBHXTXRNMS-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000154842256 432525636 /nfs/dbraw/zinc/52/56/36/432525636.db2.gz CYURGFDWNIDXSF-CQSZACIVSA-N 2 1 322.518 3.388 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739500 432529361 /nfs/dbraw/zinc/52/93/61/432529361.db2.gz GWMHCYQTXHDWSV-ZIAGYGMSSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739500 432529364 /nfs/dbraw/zinc/52/93/64/432529364.db2.gz GWMHCYQTXHDWSV-ZIAGYGMSSA-N 2 1 307.869 3.478 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194224681 432533178 /nfs/dbraw/zinc/53/31/78/432533178.db2.gz CKGDAVNVINIWJK-UHFFFAOYSA-N 2 1 320.440 3.428 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000273043615 432541289 /nfs/dbraw/zinc/54/12/89/432541289.db2.gz IWQBUKBWIOKFSU-ZWKOTPCHSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273565726 432612669 /nfs/dbraw/zinc/61/26/69/432612669.db2.gz XIFYXTHZCMNKID-MSOLQXFVSA-N 2 1 317.408 3.183 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273565726 432612671 /nfs/dbraw/zinc/61/26/71/432612671.db2.gz XIFYXTHZCMNKID-MSOLQXFVSA-N 2 1 317.408 3.183 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CC3)CC2)cs1 ZINC000177324418 432612947 /nfs/dbraw/zinc/61/29/47/432612947.db2.gz PQKNSXXDHVRUAL-ZDUSSCGKSA-N 2 1 307.507 3.306 20 0 DGADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000155779074 432573815 /nfs/dbraw/zinc/57/38/15/432573815.db2.gz MCIABQVRTKAHLA-UZLBHIALSA-N 2 1 316.489 3.433 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OC(C)C ZINC000186379640 432589850 /nfs/dbraw/zinc/58/98/50/432589850.db2.gz AVYMCLUXMMFEAC-MDZRGWNJSA-N 2 1 320.477 3.234 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC(C)C ZINC000186379640 432589853 /nfs/dbraw/zinc/58/98/53/432589853.db2.gz AVYMCLUXMMFEAC-MDZRGWNJSA-N 2 1 320.477 3.234 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc21 ZINC000186411387 432592860 /nfs/dbraw/zinc/59/28/60/432592860.db2.gz VJJPLHOGEFMWEK-DLBZAZTESA-N 2 1 315.436 3.076 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000177488058 432629230 /nfs/dbraw/zinc/62/92/30/432629230.db2.gz SVKAQSCKJHYUBK-HNNXBMFYSA-N 2 1 308.441 3.366 20 0 DGADMP CC(C)[N@H+](C)Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000273729997 432630340 /nfs/dbraw/zinc/63/03/40/432630340.db2.gz NKCHNHDOMZLVNP-UHFFFAOYSA-N 2 1 314.433 3.173 20 0 DGADMP CC(C)[N@@H+](C)Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000273729997 432630341 /nfs/dbraw/zinc/63/03/41/432630341.db2.gz NKCHNHDOMZLVNP-UHFFFAOYSA-N 2 1 314.433 3.173 20 0 DGADMP C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000158074743 432635974 /nfs/dbraw/zinc/63/59/74/432635974.db2.gz HUGPNZIAAOZIIH-INIZCTEOSA-N 2 1 315.505 3.447 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000274267081 432645751 /nfs/dbraw/zinc/64/57/51/432645751.db2.gz WAENIWMQSFTXOB-KBXCAEBGSA-N 2 1 308.441 3.364 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000158911626 432663016 /nfs/dbraw/zinc/66/30/16/432663016.db2.gz YWMJDFHXERNKHR-MJGOQNOKSA-N 2 1 304.478 3.047 20 0 DGADMP CCc1cnccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000265166096 432669952 /nfs/dbraw/zinc/66/99/52/432669952.db2.gz CSDHXTBVDKQNNY-SFHVURJKSA-N 2 1 323.440 3.495 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275499501 432725938 /nfs/dbraw/zinc/72/59/38/432725938.db2.gz MAWFRAJDKPTPEC-ZCNNSNEGSA-N 2 1 316.489 3.149 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000178158301 432700746 /nfs/dbraw/zinc/70/07/46/432700746.db2.gz HIMHTBOAHIVXAR-HDMKZQKVSA-N 2 1 316.445 3.125 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000178158301 432700747 /nfs/dbraw/zinc/70/07/47/432700747.db2.gz HIMHTBOAHIVXAR-HDMKZQKVSA-N 2 1 316.445 3.125 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000274814312 432712127 /nfs/dbraw/zinc/71/21/27/432712127.db2.gz QYTRTOPSJUCRPU-OAHLLOKOSA-N 2 1 313.445 3.187 20 0 DGADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274845708 432715378 /nfs/dbraw/zinc/71/53/78/432715378.db2.gz PTMBVWKODTZEGZ-YLJYHZDGSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000274849597 432716668 /nfs/dbraw/zinc/71/66/68/432716668.db2.gz QTPJSSBBOQGYSA-DYESRHJHSA-N 2 1 324.468 3.179 20 0 DGADMP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274947697 432723323 /nfs/dbraw/zinc/72/33/23/432723323.db2.gz UROJAUMXLSATPV-WDSOQIARSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC000159219501 432676909 /nfs/dbraw/zinc/67/69/09/432676909.db2.gz QMLJWQURJNAKJQ-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC000159219501 432676913 /nfs/dbraw/zinc/67/69/13/432676913.db2.gz QMLJWQURJNAKJQ-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC000159219501 432676918 /nfs/dbraw/zinc/67/69/18/432676918.db2.gz QMLJWQURJNAKJQ-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319292 432680386 /nfs/dbraw/zinc/68/03/86/432680386.db2.gz OZLNJQLKCOCVIF-NSHDSACASA-N 2 1 304.331 3.405 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522341 432747256 /nfs/dbraw/zinc/74/72/56/432747256.db2.gz PWORBSSAPPRAPU-FQEVSTJZSA-N 2 1 318.505 3.080 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000236645587 432753482 /nfs/dbraw/zinc/75/34/82/432753482.db2.gz MWQSGUPGFBXJPO-UHFFFAOYSA-N 2 1 313.445 3.293 20 0 DGADMP CCC(O)(CC)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236856188 432767281 /nfs/dbraw/zinc/76/72/81/432767281.db2.gz XXJIYVATYIKNTF-UHFFFAOYSA-N 2 1 306.494 3.285 20 0 DGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700595 432768445 /nfs/dbraw/zinc/76/84/45/432768445.db2.gz YFMXSHKVQTXBMB-CABCVRRESA-N 2 1 301.434 3.495 20 0 DGADMP CC[NH2+]Cc1ccccc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000237042861 432775849 /nfs/dbraw/zinc/77/58/49/432775849.db2.gz NUEOOZNQKNQPKA-UHFFFAOYSA-N 2 1 314.433 3.145 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccsc1 ZINC000178376170 432728840 /nfs/dbraw/zinc/72/88/40/432728840.db2.gz FUAJPYGLHYUOKC-HNNXBMFYSA-N 2 1 316.470 3.431 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)[C@H]1CCC[NH2+]CC1 ZINC000231457585 432732262 /nfs/dbraw/zinc/73/22/62/432732262.db2.gz OGIQEGMKQRYZJH-JTQLQIEISA-N 2 1 303.269 3.085 20 0 DGADMP C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCC[NH2+]CC1 ZINC000231457585 432732266 /nfs/dbraw/zinc/73/22/66/432732266.db2.gz OGIQEGMKQRYZJH-JTQLQIEISA-N 2 1 303.269 3.085 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188687757 432739372 /nfs/dbraw/zinc/73/93/72/432739372.db2.gz KJEBZPYLKZQFPY-GBESFXJTSA-N 2 1 316.489 3.302 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275680906 432739422 /nfs/dbraw/zinc/73/94/22/432739422.db2.gz IENSMRLOAFLEND-FUHWJXTLSA-N 2 1 304.478 3.444 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275680906 432739425 /nfs/dbraw/zinc/73/94/25/432739425.db2.gz IENSMRLOAFLEND-FUHWJXTLSA-N 2 1 304.478 3.444 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccco3)CC2)nc(C)[nH+]1 ZINC000162286072 432818462 /nfs/dbraw/zinc/81/84/62/432818462.db2.gz FQPCCQOUVMNKRV-CYBMUJFWSA-N 2 1 300.406 3.006 20 0 DGADMP COc1ccc2oc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)c(C)c2c1 ZINC000276592095 432820759 /nfs/dbraw/zinc/82/07/59/432820759.db2.gz DFSSRMLXLHCQIF-CYBMUJFWSA-N 2 1 313.401 3.377 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000276641508 432823095 /nfs/dbraw/zinc/82/30/95/432823095.db2.gz QUGIFJSBCUJZOM-MRXNPFEDSA-N 2 1 303.450 3.119 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1OC ZINC000162729328 432831993 /nfs/dbraw/zinc/83/19/93/432831993.db2.gz FBKHAJUOUCFHTD-DLBZAZTESA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000162729328 432831996 /nfs/dbraw/zinc/83/19/96/432831996.db2.gz FBKHAJUOUCFHTD-DLBZAZTESA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000162729328 432831999 /nfs/dbraw/zinc/83/19/99/432831999.db2.gz FBKHAJUOUCFHTD-DLBZAZTESA-N 2 1 318.461 3.325 20 0 DGADMP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000237273556 432784379 /nfs/dbraw/zinc/78/43/79/432784379.db2.gz AMFKIYHEIMSJOI-UYAOXDASSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c1 ZINC000277324298 432838232 /nfs/dbraw/zinc/83/82/32/432838232.db2.gz CGMGHUATEGAUBV-OAHLLOKOSA-N 2 1 302.418 3.358 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c1 ZINC000277324298 432838237 /nfs/dbraw/zinc/83/82/37/432838237.db2.gz CGMGHUATEGAUBV-OAHLLOKOSA-N 2 1 302.418 3.358 20 0 DGADMP C[NH+](CC[C@@H]1CCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482780 432789495 /nfs/dbraw/zinc/78/94/95/432789495.db2.gz SIYCCLDCQSSINY-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000161641499 432790554 /nfs/dbraw/zinc/79/05/54/432790554.db2.gz CBLWNHFJWOQEMW-CQSZACIVSA-N 2 1 307.457 3.417 20 0 DGADMP c1cc(C[N@H+](CC2CC[NH2+]CC2)C2CCCC2)cc2c1OCC2 ZINC000178972218 432791951 /nfs/dbraw/zinc/79/19/51/432791951.db2.gz KTOANVFUGKZJOD-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178977133 432792444 /nfs/dbraw/zinc/79/24/44/432792444.db2.gz GFSQQNNHYKZJGM-WOJBJXKFSA-N 2 1 316.489 3.354 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000161712860 432792720 /nfs/dbraw/zinc/79/27/20/432792720.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161712860 432792723 /nfs/dbraw/zinc/79/27/23/432792723.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000161712860 432792727 /nfs/dbraw/zinc/79/27/27/432792727.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000161712860 432792731 /nfs/dbraw/zinc/79/27/31/432792731.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000161712860 432792734 /nfs/dbraw/zinc/79/27/34/432792734.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000161712860 432792739 /nfs/dbraw/zinc/79/27/39/432792739.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000161712860 432792743 /nfs/dbraw/zinc/79/27/43/432792743.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161712860 432792745 /nfs/dbraw/zinc/79/27/45/432792745.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000161712860 432792749 /nfs/dbraw/zinc/79/27/49/432792749.db2.gz HEDUSSCSEUPDRE-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CN(CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161863179 432801992 /nfs/dbraw/zinc/80/19/92/432801992.db2.gz SIDKYKITGPGWGP-IBGZPJMESA-N 3 1 315.505 3.067 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)c(Cl)c2)CCCO1 ZINC000277616714 432864472 /nfs/dbraw/zinc/86/44/72/432864472.db2.gz BDFGFNLLNYMJKL-ZDUSSCGKSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(Cl)c2)CCCO1 ZINC000277616714 432864473 /nfs/dbraw/zinc/86/44/73/432864473.db2.gz BDFGFNLLNYMJKL-ZDUSSCGKSA-N 2 1 314.832 3.070 20 0 DGADMP Cc1cc[nH+]c(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000268332870 432864739 /nfs/dbraw/zinc/86/47/39/432864739.db2.gz QEVDFFADWGZCIS-IRXDYDNUSA-N 2 1 317.477 3.106 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000277640300 432865762 /nfs/dbraw/zinc/86/57/62/432865762.db2.gz CVSQFOYBMSDYCZ-MISYRCLQSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000277640300 432865765 /nfs/dbraw/zinc/86/57/65/432865765.db2.gz CVSQFOYBMSDYCZ-MISYRCLQSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000277710864 432871588 /nfs/dbraw/zinc/87/15/88/432871588.db2.gz IOQZEDBODSJGRY-HOTGVXAUSA-N 2 1 308.441 3.020 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000296200129 432882309 /nfs/dbraw/zinc/88/23/09/432882309.db2.gz YYBAXIKBNLKZSP-NUEKZKHPSA-N 2 1 305.853 3.329 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000296200129 432882312 /nfs/dbraw/zinc/88/23/12/432882312.db2.gz YYBAXIKBNLKZSP-NUEKZKHPSA-N 2 1 305.853 3.329 20 0 DGADMP C[C@H](CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201251 432883269 /nfs/dbraw/zinc/88/32/69/432883269.db2.gz ZDTUOQGJBRWDCC-RDTXWAMCSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201251 432883271 /nfs/dbraw/zinc/88/32/71/432883271.db2.gz ZDTUOQGJBRWDCC-RDTXWAMCSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201251 432883273 /nfs/dbraw/zinc/88/32/73/432883273.db2.gz ZDTUOQGJBRWDCC-RDTXWAMCSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201251 432883275 /nfs/dbraw/zinc/88/32/75/432883275.db2.gz ZDTUOQGJBRWDCC-RDTXWAMCSA-N 2 1 308.416 3.486 20 0 DGADMP O=C1Nc2ccccc2CC[C@@H]1N1CC[C@@H](Oc2ccncc2)C1 ZINC000330145038 432894606 /nfs/dbraw/zinc/89/46/06/432894606.db2.gz ZZGAQERJYVQFCX-AEFFLSMTSA-N 2 1 323.396 3.138 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)cn1 ZINC000277342941 432840179 /nfs/dbraw/zinc/84/01/79/432840179.db2.gz VCUCZSDRFRLOIS-CVEARBPZSA-N 2 1 316.474 3.195 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)cn1 ZINC000277342943 432840905 /nfs/dbraw/zinc/84/09/05/432840905.db2.gz VCUCZSDRFRLOIS-HOTGVXAUSA-N 2 1 316.474 3.195 20 0 DGADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000245637171 432851970 /nfs/dbraw/zinc/85/19/70/432851970.db2.gz ACTMKCZWHOEHRL-YRPNKDGESA-N 2 1 314.473 3.197 20 0 DGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC[C@@H](C)[NH3+])c1 ZINC000277467972 432852599 /nfs/dbraw/zinc/85/25/99/432852599.db2.gz JPHGUGVVKAOHKR-MRXNPFEDSA-N 2 1 319.493 3.052 20 0 DGADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490991 432853435 /nfs/dbraw/zinc/85/34/35/432853435.db2.gz YHSXBFBPZYECLE-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490991 432853439 /nfs/dbraw/zinc/85/34/39/432853439.db2.gz YHSXBFBPZYECLE-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490991 432853443 /nfs/dbraw/zinc/85/34/43/432853443.db2.gz YHSXBFBPZYECLE-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490991 432853447 /nfs/dbraw/zinc/85/34/47/432853447.db2.gz YHSXBFBPZYECLE-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245676089 432853742 /nfs/dbraw/zinc/85/37/42/432853742.db2.gz ICAKQYXMRHUJRD-KANFNMMFSA-N 2 1 302.462 3.197 20 0 DGADMP CSC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000278976869 432923070 /nfs/dbraw/zinc/92/30/70/432923070.db2.gz CPGWGYFNOUKFIL-WBVHZDCISA-N 2 1 304.503 3.382 20 0 DGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000279001851 432925330 /nfs/dbraw/zinc/92/53/30/432925330.db2.gz ROMWXNMSIKKDEE-WBVHZDCISA-N 2 1 323.440 3.482 20 0 DGADMP Cc1ccncc1CCC[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000289152667 432927725 /nfs/dbraw/zinc/92/77/25/432927725.db2.gz QKBVEIOZLJPPSB-UHFFFAOYSA-N 2 1 323.440 3.086 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000279157726 432941183 /nfs/dbraw/zinc/94/11/83/432941183.db2.gz BDTGINRYLARSBE-ROUUACIJSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCNc3ccccc32)CCCO1 ZINC000278866822 432910354 /nfs/dbraw/zinc/91/03/54/432910354.db2.gz WQIWCXWVCJJTDL-VQIMIIECSA-N 2 1 317.477 3.024 20 0 DGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C2CCC2)cc1 ZINC000278906895 432915604 /nfs/dbraw/zinc/91/56/04/432915604.db2.gz SHRCIOLIMCUYNK-UHFFFAOYSA-N 2 1 315.505 3.023 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000296508671 432917292 /nfs/dbraw/zinc/91/72/92/432917292.db2.gz RJGYFFLBBLFTTB-GPMSIDNRSA-N 2 1 302.462 3.115 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000296525103 432918581 /nfs/dbraw/zinc/91/85/81/432918581.db2.gz QERPSHPXGOWULP-VXGBXAGGSA-N 2 1 317.260 3.445 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000332219856 432987218 /nfs/dbraw/zinc/98/72/18/432987218.db2.gz LZOGJZGNNCRGCC-BQGCOEIASA-N 2 1 317.477 3.189 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000290120831 432996447 /nfs/dbraw/zinc/99/64/47/432996447.db2.gz YPYKLTDVJXPBHE-CQSZACIVSA-N 2 1 305.853 3.178 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000290136921 432998072 /nfs/dbraw/zinc/99/80/72/432998072.db2.gz ZUGVEUZDCRRXJP-MAUKXSAKSA-N 2 1 315.461 3.216 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000290169582 433005074 /nfs/dbraw/zinc/00/50/74/433005074.db2.gz MREBTMRTBDMTIC-AUUYWEPGSA-N 2 1 313.445 3.382 20 0 DGADMP c1nc(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cs1 ZINC000297674373 433005714 /nfs/dbraw/zinc/00/57/14/433005714.db2.gz OUJBUVFRYQFZDE-UHFFFAOYSA-N 2 1 324.453 3.056 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290195019 433010599 /nfs/dbraw/zinc/01/05/99/433010599.db2.gz OQXXDSYGQHRYHU-DBVUQKKJSA-N 2 1 316.489 3.038 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000280211176 433017200 /nfs/dbraw/zinc/01/72/00/433017200.db2.gz KQLMSNKHBMHPFL-GOSISDBHSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC[N@@H+]1C ZINC000290267648 433023950 /nfs/dbraw/zinc/02/39/50/433023950.db2.gz VWVKYRMFPYBMOD-SUMDDJOVSA-N 2 1 314.473 3.153 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC[N@H+]1C ZINC000290267648 433023954 /nfs/dbraw/zinc/02/39/54/433023954.db2.gz VWVKYRMFPYBMOD-SUMDDJOVSA-N 2 1 314.473 3.153 20 0 DGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290342378 433034167 /nfs/dbraw/zinc/03/41/67/433034167.db2.gz FNJBZPUIMCJDBU-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290342378 433034172 /nfs/dbraw/zinc/03/41/72/433034172.db2.gz FNJBZPUIMCJDBU-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000290342378 433034175 /nfs/dbraw/zinc/03/41/75/433034175.db2.gz FNJBZPUIMCJDBU-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000290342378 433034179 /nfs/dbraw/zinc/03/41/79/433034179.db2.gz FNJBZPUIMCJDBU-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425285 433050932 /nfs/dbraw/zinc/05/09/32/433050932.db2.gz LAYMWJDLJQJUJZ-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425285 433050946 /nfs/dbraw/zinc/05/09/46/433050946.db2.gz LAYMWJDLJQJUJZ-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425285 433050948 /nfs/dbraw/zinc/05/09/48/433050948.db2.gz LAYMWJDLJQJUJZ-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425285 433050954 /nfs/dbraw/zinc/05/09/54/433050954.db2.gz LAYMWJDLJQJUJZ-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425285 433050956 /nfs/dbraw/zinc/05/09/56/433050956.db2.gz LAYMWJDLJQJUJZ-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000280473658 433057089 /nfs/dbraw/zinc/05/70/89/433057089.db2.gz CWHCCOXGOKFECW-FXAWDEMLSA-N 2 1 315.505 3.223 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456435 433055160 /nfs/dbraw/zinc/05/51/60/433055160.db2.gz MTDYGILGTJIAPW-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456435 433055166 /nfs/dbraw/zinc/05/51/66/433055166.db2.gz MTDYGILGTJIAPW-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456435 433055170 /nfs/dbraw/zinc/05/51/70/433055170.db2.gz MTDYGILGTJIAPW-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456435 433055174 /nfs/dbraw/zinc/05/51/74/433055174.db2.gz MTDYGILGTJIAPW-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000446754603 433099491 /nfs/dbraw/zinc/09/94/91/433099491.db2.gz WSKHKIMNCDBYNP-FQEVSTJZSA-N 2 1 316.489 3.444 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000339074987 289365897 /nfs/dbraw/zinc/36/58/97/289365897.db2.gz OKNYRSHSVUNIAY-HDMKZQKVSA-N 2 1 321.896 3.159 20 0 DGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000446754605 433100157 /nfs/dbraw/zinc/10/01/57/433100157.db2.gz WSKHKIMNCDBYNP-HXUWFJFHSA-N 2 1 316.489 3.444 20 0 DGADMP CN(C)C[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000350124560 433087070 /nfs/dbraw/zinc/08/70/70/433087070.db2.gz BDARNCNTYSQNLI-FQEVSTJZSA-N 2 1 324.468 3.081 20 0 DGADMP CN(C)C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000350124560 433087080 /nfs/dbraw/zinc/08/70/80/433087080.db2.gz BDARNCNTYSQNLI-FQEVSTJZSA-N 2 1 324.468 3.081 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1C(C)C ZINC000354453611 433091153 /nfs/dbraw/zinc/09/11/53/433091153.db2.gz DPMPJNBSEOYHPR-WMZOPIPTSA-N 2 1 306.498 3.454 20 0 DGADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420309937 433154160 /nfs/dbraw/zinc/15/41/60/433154160.db2.gz UKFNZFOVCGLXNK-IEBWSBKVSA-N 2 1 320.477 3.019 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000290632431 433125216 /nfs/dbraw/zinc/12/52/16/433125216.db2.gz YAPWLIGDEAYQAN-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000290632431 433125223 /nfs/dbraw/zinc/12/52/23/433125223.db2.gz YAPWLIGDEAYQAN-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000290632431 433125230 /nfs/dbraw/zinc/12/52/30/433125230.db2.gz YAPWLIGDEAYQAN-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000290632431 433125239 /nfs/dbraw/zinc/12/52/39/433125239.db2.gz YAPWLIGDEAYQAN-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC[C@@H]1CC[NH2+]C1 ZINC000420300314 433154288 /nfs/dbraw/zinc/15/42/88/433154288.db2.gz JYUMLQIYWUXPGA-INIZCTEOSA-N 2 1 313.445 3.206 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000290655730 433128747 /nfs/dbraw/zinc/12/87/47/433128747.db2.gz KJSCEGDYVLHNHR-YSIASYRMSA-N 2 1 324.472 3.108 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388652 433142808 /nfs/dbraw/zinc/14/28/08/433142808.db2.gz BVKPZIMKIRJJPP-PKOBYXMFSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388623 433145226 /nfs/dbraw/zinc/14/52/26/433145226.db2.gz BTIHTSJLOVTFHW-XLIONFOSSA-N 3 1 321.553 3.494 20 0 DGADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296114 433148174 /nfs/dbraw/zinc/14/81/74/433148174.db2.gz DCMKLUZOKMHAEZ-SJLPKXTDSA-N 2 1 322.518 3.345 20 0 DGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(OC(F)(F)F)c1 ZINC000420294959 433149119 /nfs/dbraw/zinc/14/91/19/433149119.db2.gz BPAXNCAURSZOTL-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000341582451 433149762 /nfs/dbraw/zinc/14/97/62/433149762.db2.gz CIDZXBRDHYBATC-IRXDYDNUSA-N 2 1 318.461 3.373 20 0 DGADMP COC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000446753491 433101114 /nfs/dbraw/zinc/10/11/14/433101114.db2.gz SDBSRFMRSCXEJR-FQEVSTJZSA-N 2 1 316.489 3.230 20 0 DGADMP COC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000446753491 433101124 /nfs/dbraw/zinc/10/11/24/433101124.db2.gz SDBSRFMRSCXEJR-FQEVSTJZSA-N 2 1 316.489 3.230 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1 ZINC000420304844 433153833 /nfs/dbraw/zinc/15/38/33/433153833.db2.gz OTVUKURULDUPHG-RHSMWYFYSA-N 2 1 314.429 3.136 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000446839363 433115042 /nfs/dbraw/zinc/11/50/42/433115042.db2.gz RXLBURSWLBZEAK-WDSOQIARSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000446839363 433115052 /nfs/dbraw/zinc/11/50/52/433115052.db2.gz RXLBURSWLBZEAK-WDSOQIARSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000446839361 433115514 /nfs/dbraw/zinc/11/55/14/433115514.db2.gz RXLBURSWLBZEAK-QRQLOZEOSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000446839361 433115523 /nfs/dbraw/zinc/11/55/23/433115523.db2.gz RXLBURSWLBZEAK-QRQLOZEOSA-N 2 1 304.478 3.300 20 0 DGADMP Cc1ccc(CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000420299807 433153975 /nfs/dbraw/zinc/15/39/75/433153975.db2.gz JIICUUJQJDWVGB-VQTJNVASSA-N 2 1 316.489 3.018 20 0 DGADMP CC1(C)CCC[N@@H+](CCNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000446847068 433117496 /nfs/dbraw/zinc/11/74/96/433117496.db2.gz IAZFAFLFBBGKQY-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000361347580 433120466 /nfs/dbraw/zinc/12/04/66/433120466.db2.gz WJMNAAGNHHLSPY-LPHOPBHVSA-N 2 1 316.489 3.091 20 0 DGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420310591 433155182 /nfs/dbraw/zinc/15/51/82/433155182.db2.gz VFQXKJINRAHISA-RDJZCZTQSA-N 2 1 318.436 3.110 20 0 DGADMP CC(C)Cc1ccc(C(=O)C2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000420324429 433164077 /nfs/dbraw/zinc/16/40/77/433164077.db2.gz VHXCNJYGPAOVBS-UHFFFAOYSA-N 2 1 302.462 3.129 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC12CCOCC2 ZINC000420322353 433164872 /nfs/dbraw/zinc/16/48/72/433164872.db2.gz DUUQLQOZCOSWLL-GUYCJALGSA-N 2 1 320.864 3.015 20 0 DGADMP CC[C@@](C)([NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1)c1nccs1 ZINC000420322130 433164944 /nfs/dbraw/zinc/16/49/44/433164944.db2.gz SGDYMZSPYNVXRE-RHSMWYFYSA-N 2 1 319.474 3.109 20 0 DGADMP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330924 433165127 /nfs/dbraw/zinc/16/51/27/433165127.db2.gz ILOJCIDOHRQGDN-HDICACEKSA-N 2 1 310.441 3.150 20 0 DGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326112 433165544 /nfs/dbraw/zinc/16/55/44/433165544.db2.gz JJVAQFYCBBNFJK-DYVFJYSZSA-N 2 1 324.415 3.103 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2sccc2C)cc1 ZINC000420322246 433165984 /nfs/dbraw/zinc/16/59/84/433165984.db2.gz SGPLWNNCVVYRSY-HNNXBMFYSA-N 2 1 304.459 3.239 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000420322170 433166762 /nfs/dbraw/zinc/16/67/62/433166762.db2.gz SDFKJPHYJCHWHF-ICSRJNTNSA-N 2 1 324.468 3.302 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000420322172 433167011 /nfs/dbraw/zinc/16/70/11/433167011.db2.gz SDFKJPHYJCHWHF-QUCCMNQESA-N 2 1 324.468 3.302 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330260 433167325 /nfs/dbraw/zinc/16/73/25/433167325.db2.gz APQXFDKTBIQTNC-ZWKOTPCHSA-N 2 1 302.462 3.004 20 0 DGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420331035 433167531 /nfs/dbraw/zinc/16/75/31/433167531.db2.gz QMUYEEYMBIPJKD-KGLIPLIRSA-N 2 1 307.507 3.262 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000420327857 433167632 /nfs/dbraw/zinc/16/76/32/433167632.db2.gz YZUWYRNFLDTZNR-MOPGFXCFSA-N 2 1 310.441 3.227 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420320270 433167888 /nfs/dbraw/zinc/16/78/88/433167888.db2.gz BCMZAOMOQPQVAS-HZPDHXFCSA-N 2 1 320.502 3.109 20 0 DGADMP Cc1ccc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)n3C)C2)c(C)c1 ZINC000425330949 433168617 /nfs/dbraw/zinc/16/86/17/433168617.db2.gz BHQKIPHUDINSSK-MRXNPFEDSA-N 2 1 312.461 3.092 20 0 DGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000420339128 433169789 /nfs/dbraw/zinc/16/97/89/433169789.db2.gz QNMRVMKARDNZLJ-BBRMVZONSA-N 2 1 323.506 3.205 20 0 DGADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C1CC([NH3+])C1 ZINC000420333490 433170590 /nfs/dbraw/zinc/17/05/90/433170590.db2.gz NWJVKJHUAQGABI-UHFFFAOYSA-N 2 1 310.441 3.214 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420337831 433171302 /nfs/dbraw/zinc/17/13/02/433171302.db2.gz XGLAPTSNSCJECC-ZIAGYGMSSA-N 2 1 308.853 3.170 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCSC4)[C@H]3C2)cc1 ZINC000336659562 433173581 /nfs/dbraw/zinc/17/35/81/433173581.db2.gz YSTGDFJYTKDTIC-RDGPPVDQSA-N 2 1 316.514 3.382 20 0 DGADMP Clc1cccc(O[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000420356926 433174142 /nfs/dbraw/zinc/17/41/42/433174142.db2.gz HELCYARPXLDZSY-RHSMWYFYSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345943 433177068 /nfs/dbraw/zinc/17/70/68/433177068.db2.gz WYHQOCKUZKQCTD-HUUCEWRRSA-N 2 1 308.853 3.040 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000336703120 433179123 /nfs/dbraw/zinc/17/91/23/433179123.db2.gz KFRAJWDHQPWHOK-SFTDATJTSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000336703120 433179125 /nfs/dbraw/zinc/17/91/25/433179125.db2.gz KFRAJWDHQPWHOK-SFTDATJTSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000336703120 433179133 /nfs/dbraw/zinc/17/91/33/433179133.db2.gz KFRAJWDHQPWHOK-SFTDATJTSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000361457733 433183213 /nfs/dbraw/zinc/18/32/13/433183213.db2.gz VBOUPCHXCVJXKI-YHUYVZNPSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000361457733 433183220 /nfs/dbraw/zinc/18/32/20/433183220.db2.gz VBOUPCHXCVJXKI-YHUYVZNPSA-N 2 1 314.473 3.197 20 0 DGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420363084 433184059 /nfs/dbraw/zinc/18/40/59/433184059.db2.gz OXNBSYNAMQVMPF-HOTGVXAUSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363084 433184064 /nfs/dbraw/zinc/18/40/64/433184064.db2.gz OXNBSYNAMQVMPF-HOTGVXAUSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363084 433184071 /nfs/dbraw/zinc/18/40/71/433184071.db2.gz OXNBSYNAMQVMPF-HOTGVXAUSA-N 2 1 312.461 3.050 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378807 433187945 /nfs/dbraw/zinc/18/79/45/433187945.db2.gz BMGPPIMFRGRDRB-UKRRQHHQSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378807 433187953 /nfs/dbraw/zinc/18/79/53/433187953.db2.gz BMGPPIMFRGRDRB-UKRRQHHQSA-N 2 1 310.388 3.252 20 0 DGADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CC[NH2+]C1 ZINC000420383373 433192328 /nfs/dbraw/zinc/19/23/28/433192328.db2.gz ZLFDTEUZQUXSAJ-GJZGRUSLSA-N 2 1 319.518 3.201 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CO)CC1 ZINC000354689084 433216521 /nfs/dbraw/zinc/21/65/21/433216521.db2.gz HBOGUDAJLCRXNN-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000354689084 433216528 /nfs/dbraw/zinc/21/65/28/433216528.db2.gz HBOGUDAJLCRXNN-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000354689084 433216534 /nfs/dbraw/zinc/21/65/34/433216534.db2.gz HBOGUDAJLCRXNN-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447529952 433218027 /nfs/dbraw/zinc/21/80/27/433218027.db2.gz NGBXQVIKWXKGCJ-MOPGFXCFSA-N 2 1 304.478 3.429 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000291080422 433220522 /nfs/dbraw/zinc/22/05/22/433220522.db2.gz BYCWBYKIGHDJJH-LSTHTHJFSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000291080422 433220529 /nfs/dbraw/zinc/22/05/29/433220529.db2.gz BYCWBYKIGHDJJH-LSTHTHJFSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc2nc(C[NH2+]CCCC[N@@H+](C)C3CC3)sc2c1 ZINC000453597556 433224960 /nfs/dbraw/zinc/22/49/60/433224960.db2.gz OFCNXRYLTNWNAW-UHFFFAOYSA-N 2 1 319.474 3.269 20 0 DGADMP COCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000291104550 433226280 /nfs/dbraw/zinc/22/62/80/433226280.db2.gz JRHGSFFGCJJHJW-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP COCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000291104550 433226292 /nfs/dbraw/zinc/22/62/92/433226292.db2.gz JRHGSFFGCJJHJW-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000453595029 433226811 /nfs/dbraw/zinc/22/68/11/433226811.db2.gz JWVOATISWKQYHN-UHFFFAOYSA-N 2 1 316.424 3.180 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453600266 433228197 /nfs/dbraw/zinc/22/81/97/433228197.db2.gz SGEGSISQDMOMKY-UHFFFAOYSA-N 2 1 312.461 3.145 20 0 DGADMP CC[N@@H+](C[C@H](OC)C1CC1)CC1CCN(c2ccccn2)CC1 ZINC000425424520 433236062 /nfs/dbraw/zinc/23/60/62/433236062.db2.gz WTTYRELBNYOEKK-SFHVURJKSA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337489236 433238642 /nfs/dbraw/zinc/23/86/42/433238642.db2.gz VCZKVFGOWQAOBD-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337489236 433238652 /nfs/dbraw/zinc/23/86/52/433238652.db2.gz VCZKVFGOWQAOBD-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000447733165 433265705 /nfs/dbraw/zinc/26/57/05/433265705.db2.gz WWBODZPNWCBUEP-CGTJXYLNSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000447733165 433265712 /nfs/dbraw/zinc/26/57/12/433265712.db2.gz WWBODZPNWCBUEP-CGTJXYLNSA-N 2 1 322.880 3.332 20 0 DGADMP C[C@@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921760 433320135 /nfs/dbraw/zinc/32/01/35/433320135.db2.gz MKTRVGBECRIANM-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921760 433320143 /nfs/dbraw/zinc/32/01/43/433320143.db2.gz MKTRVGBECRIANM-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000374962077 433320946 /nfs/dbraw/zinc/32/09/46/433320946.db2.gz JOKGYGTVEOFISV-ZGXWSNOMSA-N 2 1 321.553 3.161 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CC=CCC1 ZINC000420929924 433322544 /nfs/dbraw/zinc/32/25/44/433322544.db2.gz DXMYZGZVVDPJCY-GOSISDBHSA-N 2 1 314.473 3.307 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CC=CCC1 ZINC000420929924 433322555 /nfs/dbraw/zinc/32/25/55/433322555.db2.gz DXMYZGZVVDPJCY-GOSISDBHSA-N 2 1 314.473 3.307 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000425527266 433284873 /nfs/dbraw/zinc/28/48/73/433284873.db2.gz ZQVOQYURKCXXDC-IAGOWNOFSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000425527266 433284880 /nfs/dbraw/zinc/28/48/80/433284880.db2.gz ZQVOQYURKCXXDC-IAGOWNOFSA-N 2 1 302.462 3.139 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000281392308 433298541 /nfs/dbraw/zinc/29/85/41/433298541.db2.gz YAKFWNDSZCVMKD-KZNAEPCWSA-N 2 1 301.478 3.348 20 0 DGADMP C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051166 433303983 /nfs/dbraw/zinc/30/39/83/433303983.db2.gz SCQYFUPHHZBEFE-XKGZKEIXSA-N 2 1 316.489 3.353 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000338544468 433304110 /nfs/dbraw/zinc/30/41/10/433304110.db2.gz BENIFYKUFYEQAG-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C)OCc2ccccc2)CC1 ZINC000354842039 433308124 /nfs/dbraw/zinc/30/81/24/433308124.db2.gz AVVPOQBNVXRRQO-KRWDZBQOSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C)OCc2ccccc2)CC1 ZINC000354842039 433308128 /nfs/dbraw/zinc/30/81/28/433308128.db2.gz AVVPOQBNVXRRQO-KRWDZBQOSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@H]1CCC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000341837936 433308317 /nfs/dbraw/zinc/30/83/17/433308317.db2.gz XWHUKNFUAKNHOA-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP CC1(C)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420919238 433312889 /nfs/dbraw/zinc/31/28/89/433312889.db2.gz YOCLIETWWWEGMI-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CC1(C)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420919238 433312902 /nfs/dbraw/zinc/31/29/02/433312902.db2.gz YOCLIETWWWEGMI-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000281681070 433346121 /nfs/dbraw/zinc/34/61/21/433346121.db2.gz RKZHISJLRBOJNI-CYBMUJFWSA-N 2 1 312.379 3.488 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC(C)(C)C1 ZINC000420972973 433362591 /nfs/dbraw/zinc/36/25/91/433362591.db2.gz MRNVKTDQXCAFNA-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC(C)(C)C1 ZINC000420972973 433362599 /nfs/dbraw/zinc/36/25/99/433362599.db2.gz MRNVKTDQXCAFNA-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414054915 433363240 /nfs/dbraw/zinc/36/32/40/433363240.db2.gz BZVVPKFADHSALU-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[N@H+]1C ZINC000420992708 433368196 /nfs/dbraw/zinc/36/81/96/433368196.db2.gz CRYUIOXHPYZQJI-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@H]1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000420992708 433368209 /nfs/dbraw/zinc/36/82/09/433368209.db2.gz CRYUIOXHPYZQJI-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@H]1C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000420992708 433368217 /nfs/dbraw/zinc/36/82/17/433368217.db2.gz CRYUIOXHPYZQJI-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414441 433369902 /nfs/dbraw/zinc/36/99/02/433369902.db2.gz WHLDQUHEVGUIIK-QFBILLFUSA-N 2 1 324.472 3.149 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414441 433369915 /nfs/dbraw/zinc/36/99/15/433369915.db2.gz WHLDQUHEVGUIIK-QFBILLFUSA-N 2 1 324.472 3.149 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069489 433339086 /nfs/dbraw/zinc/33/90/86/433339086.db2.gz WBINNKZQCIDEGV-MJGOQNOKSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339134103 433382386 /nfs/dbraw/zinc/38/23/86/433382386.db2.gz DVYYBQXNKQBYDD-OKILXGFUSA-N 2 1 301.438 3.080 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000414080364 433382329 /nfs/dbraw/zinc/38/23/29/433382329.db2.gz SYZLYTGIWVCWIZ-DZGCQCFKSA-N 2 1 301.434 3.495 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339134103 433382396 /nfs/dbraw/zinc/38/23/96/433382396.db2.gz DVYYBQXNKQBYDD-OKILXGFUSA-N 2 1 301.438 3.080 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354967233 433385340 /nfs/dbraw/zinc/38/53/40/433385340.db2.gz NUAPFZJQUHBZNG-FHIRATQRSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354967233 433385346 /nfs/dbraw/zinc/38/53/46/433385346.db2.gz NUAPFZJQUHBZNG-FHIRATQRSA-N 2 1 310.869 3.488 20 0 DGADMP C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000421032502 433396421 /nfs/dbraw/zinc/39/64/21/433396421.db2.gz WUSGRNBKIKQSGO-QFBILLFUSA-N 2 1 302.462 3.018 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361876221 433433343 /nfs/dbraw/zinc/43/33/43/433433343.db2.gz DEKSILTUAFVBLG-WIYYLYMNSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876221 433433352 /nfs/dbraw/zinc/43/33/52/433433352.db2.gz DEKSILTUAFVBLG-WIYYLYMNSA-N 2 1 324.468 3.283 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN1CCC(F)(c2cccnc2)CC1 ZINC000375339261 433434471 /nfs/dbraw/zinc/43/44/71/433434471.db2.gz XVSUDVCDJPBJHT-KRWDZBQOSA-N 2 1 305.441 3.217 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375339261 433434478 /nfs/dbraw/zinc/43/44/78/433434478.db2.gz XVSUDVCDJPBJHT-KRWDZBQOSA-N 2 1 305.441 3.217 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414186180 433449839 /nfs/dbraw/zinc/44/98/39/433449839.db2.gz PDFCWPIPFUSFTJ-HZPDHXFCSA-N 2 1 320.477 3.395 20 0 DGADMP CC[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000355079686 433452058 /nfs/dbraw/zinc/45/20/58/433452058.db2.gz LMJRECIBPYRTIU-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)cc1 ZINC000281984611 433453329 /nfs/dbraw/zinc/45/33/29/433453329.db2.gz CDBWDKBKAJQAFC-INIZCTEOSA-N 2 1 314.477 3.421 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078765 433453475 /nfs/dbraw/zinc/45/34/75/433453475.db2.gz FLIZVVPXJVDAQO-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000414194779 433454472 /nfs/dbraw/zinc/45/44/72/433454472.db2.gz UPWXUXZBCMULLO-KBPBESRZSA-N 2 1 307.507 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)C[C@@H]21 ZINC000342084592 433456773 /nfs/dbraw/zinc/45/67/73/433456773.db2.gz LYKRGLBLSQAAHP-XOKHGSTOSA-N 2 1 308.853 3.168 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414198298 433456986 /nfs/dbraw/zinc/45/69/86/433456986.db2.gz WYQIRAVYADFHMW-IAGOWNOFSA-N 2 1 320.477 3.094 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]21 ZINC000342085321 433457378 /nfs/dbraw/zinc/45/73/78/433457378.db2.gz MPIYLQIEJHCYKO-CWRNSKLLSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]21 ZINC000342085321 433457384 /nfs/dbraw/zinc/45/73/84/433457384.db2.gz MPIYLQIEJHCYKO-CWRNSKLLSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC000342085322 433457761 /nfs/dbraw/zinc/45/77/61/433457761.db2.gz MPIYLQIEJHCYKO-FVQBIDKESA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC000342085322 433457774 /nfs/dbraw/zinc/45/77/74/433457774.db2.gz MPIYLQIEJHCYKO-FVQBIDKESA-N 2 1 315.392 3.040 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414198300 433458944 /nfs/dbraw/zinc/45/89/44/433458944.db2.gz WYQIRAVYADFHMW-SJORKVTESA-N 2 1 320.477 3.094 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@@H]21 ZINC000342091494 433461655 /nfs/dbraw/zinc/46/16/55/433461655.db2.gz USLNAQULJILWPQ-XOKHGSTOSA-N 2 1 315.392 3.040 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000426365964 433475518 /nfs/dbraw/zinc/47/55/18/433475518.db2.gz NZMNHDSIAPAJDI-NVXWUHKLSA-N 2 1 320.477 3.043 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340137 433479452 /nfs/dbraw/zinc/47/94/52/433479452.db2.gz NWNXRELEWFDAIZ-OALUTQOASA-N 2 1 302.462 3.059 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340137 433479457 /nfs/dbraw/zinc/47/94/57/433479457.db2.gz NWNXRELEWFDAIZ-OALUTQOASA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340137 433479463 /nfs/dbraw/zinc/47/94/63/433479463.db2.gz NWNXRELEWFDAIZ-OALUTQOASA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340137 433479471 /nfs/dbraw/zinc/47/94/71/433479471.db2.gz NWNXRELEWFDAIZ-OALUTQOASA-N 2 1 302.462 3.059 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccccc1)CC[NH2+]CC2 ZINC000424375118 290363791 /nfs/dbraw/zinc/36/37/91/290363791.db2.gz JKFKHABYMSIAMA-INIZCTEOSA-N 2 1 324.472 3.051 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443292 433511306 /nfs/dbraw/zinc/51/13/06/433511306.db2.gz MPEUMZVZMAYENY-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443292 433511314 /nfs/dbraw/zinc/51/13/14/433511314.db2.gz MPEUMZVZMAYENY-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443292 433511322 /nfs/dbraw/zinc/51/13/22/433511322.db2.gz MPEUMZVZMAYENY-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443292 433511327 /nfs/dbraw/zinc/51/13/27/433511327.db2.gz MPEUMZVZMAYENY-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443292 433511338 /nfs/dbraw/zinc/51/13/38/433511338.db2.gz MPEUMZVZMAYENY-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000414295909 433521912 /nfs/dbraw/zinc/52/19/12/433521912.db2.gz XNDGHUHHDZBANT-KRWDZBQOSA-N 2 1 324.472 3.449 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000414295909 433521922 /nfs/dbraw/zinc/52/19/22/433521922.db2.gz XNDGHUHHDZBANT-KRWDZBQOSA-N 2 1 324.472 3.449 20 0 DGADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479554 433522517 /nfs/dbraw/zinc/52/25/17/433522517.db2.gz RTGGHNYPQYRLLN-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479554 433522522 /nfs/dbraw/zinc/52/25/22/433522522.db2.gz RTGGHNYPQYRLLN-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479554 433522527 /nfs/dbraw/zinc/52/25/27/433522527.db2.gz RTGGHNYPQYRLLN-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479554 433522536 /nfs/dbraw/zinc/52/25/36/433522536.db2.gz RTGGHNYPQYRLLN-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479552 433522851 /nfs/dbraw/zinc/52/28/51/433522851.db2.gz RTGGHNYPQYRLLN-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479552 433522860 /nfs/dbraw/zinc/52/28/60/433522860.db2.gz RTGGHNYPQYRLLN-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479552 433522868 /nfs/dbraw/zinc/52/28/68/433522868.db2.gz RTGGHNYPQYRLLN-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479552 433522877 /nfs/dbraw/zinc/52/28/77/433522877.db2.gz RTGGHNYPQYRLLN-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CC/C=C\CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000342201729 433537347 /nfs/dbraw/zinc/53/73/47/433537347.db2.gz CJRVJAUUVDSOPO-PLNGDYQASA-N 2 1 315.505 3.092 20 0 DGADMP COCC(C)(C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426415460 433493221 /nfs/dbraw/zinc/49/32/21/433493221.db2.gz DIYRSJMECFPAIZ-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP COCC(C)(C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426415460 433493228 /nfs/dbraw/zinc/49/32/28/433493228.db2.gz DIYRSJMECFPAIZ-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP COCC(C)(C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426415460 433493235 /nfs/dbraw/zinc/49/32/35/433493235.db2.gz DIYRSJMECFPAIZ-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)CN(C)C1CC1)CC1CCC1 ZINC000351523396 433549628 /nfs/dbraw/zinc/54/96/28/433549628.db2.gz OBWAMSCKSDMVHA-UZLBHIALSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523396 433549638 /nfs/dbraw/zinc/54/96/38/433549638.db2.gz OBWAMSCKSDMVHA-UZLBHIALSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523396 433549650 /nfs/dbraw/zinc/54/96/50/433549650.db2.gz OBWAMSCKSDMVHA-UZLBHIALSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000351523396 433549660 /nfs/dbraw/zinc/54/96/60/433549660.db2.gz OBWAMSCKSDMVHA-UZLBHIALSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000351523396 433549669 /nfs/dbraw/zinc/54/96/69/433549669.db2.gz OBWAMSCKSDMVHA-UZLBHIALSA-N 2 1 316.489 3.305 20 0 DGADMP Cc1cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000301433158 433553434 /nfs/dbraw/zinc/55/34/34/433553434.db2.gz KYIATVLCGAQRMX-SFHVURJKSA-N 2 1 310.445 3.194 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCCCOc3ccccc3)C[C@@H]21 ZINC000339407048 433561170 /nfs/dbraw/zinc/56/11/70/433561170.db2.gz KCHGMRJJGUGUDN-YTQUADARSA-N 2 1 302.462 3.295 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000362198797 433581619 /nfs/dbraw/zinc/58/16/19/433581619.db2.gz MWMKWOGJTZJASW-UHFFFAOYSA-N 2 1 323.444 3.338 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282366405 433581709 /nfs/dbraw/zinc/58/17/09/433581709.db2.gz IBBZZKBXYINASL-NEWSRXKRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282366405 433581717 /nfs/dbraw/zinc/58/17/17/433581717.db2.gz IBBZZKBXYINASL-NEWSRXKRSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)Cc1ccc([C@H](C[NH2+]Cc2ncc[nH]2)N(C)C)cc1 ZINC000342289588 433589348 /nfs/dbraw/zinc/58/93/48/433589348.db2.gz CQXHCNXGKZYHAR-KRWDZBQOSA-N 2 1 300.450 3.001 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000362314666 433639401 /nfs/dbraw/zinc/63/94/01/433639401.db2.gz GHNGEDFBSKZWFO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000362314666 433639407 /nfs/dbraw/zinc/63/94/07/433639407.db2.gz GHNGEDFBSKZWFO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000362314666 433639415 /nfs/dbraw/zinc/63/94/15/433639415.db2.gz GHNGEDFBSKZWFO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163807581 292872126 /nfs/dbraw/zinc/87/21/26/292872126.db2.gz MOJBQPXJJWNFIU-XLIONFOSSA-N 2 1 318.505 3.080 20 0 DGADMP CSC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000356521399 433601257 /nfs/dbraw/zinc/60/12/57/433601257.db2.gz HFRCEZRQIXYZEX-ROUUACIJSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000356521399 433601267 /nfs/dbraw/zinc/60/12/67/433601267.db2.gz HFRCEZRQIXYZEX-ROUUACIJSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000356521399 433601276 /nfs/dbraw/zinc/60/12/76/433601276.db2.gz HFRCEZRQIXYZEX-ROUUACIJSA-N 2 1 316.514 3.336 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000282413058 433603247 /nfs/dbraw/zinc/60/32/47/433603247.db2.gz CIEVGKDVLPRMPY-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000282413058 433603255 /nfs/dbraw/zinc/60/32/55/433603255.db2.gz CIEVGKDVLPRMPY-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000427115724 433655031 /nfs/dbraw/zinc/65/50/31/433655031.db2.gz SSNIGDSAXQAFMU-IEBWSBKVSA-N 2 1 323.440 3.366 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000427115724 433655042 /nfs/dbraw/zinc/65/50/42/433655042.db2.gz SSNIGDSAXQAFMU-IEBWSBKVSA-N 2 1 323.440 3.366 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000376084140 433660665 /nfs/dbraw/zinc/66/06/65/433660665.db2.gz SMRSERVPXHXDGZ-KURKYZTESA-N 2 1 318.509 3.156 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000362385978 433676094 /nfs/dbraw/zinc/67/60/94/433676094.db2.gz MQVVDDQSJOMPCB-DLBZAZTESA-N 2 1 302.462 3.216 20 0 DGADMP C[C@@]1(C[NH2+]C[C@H]2CCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000376148008 433678749 /nfs/dbraw/zinc/67/87/49/433678749.db2.gz JKSWJUZDXMIPLR-MSOLQXFVSA-N 2 1 304.503 3.241 20 0 DGADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000283195698 433688986 /nfs/dbraw/zinc/68/89/86/433688986.db2.gz KYHJQAACLNISKY-KURKYZTESA-N 2 1 321.896 3.159 20 0 DGADMP CC(C)c1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc(C(C)C)n1 ZINC000367129316 293028397 /nfs/dbraw/zinc/02/83/97/293028397.db2.gz PSTPHRJQHHOTPN-HNNXBMFYSA-N 2 1 302.466 3.398 20 0 DGADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367213218 293039180 /nfs/dbraw/zinc/03/91/80/293039180.db2.gz VKWAWZTVYMLGOC-XYPWUTKMSA-N 2 1 310.482 3.055 20 0 DGADMP C[NH+](CCCCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367213218 293039183 /nfs/dbraw/zinc/03/91/83/293039183.db2.gz VKWAWZTVYMLGOC-XYPWUTKMSA-N 2 1 310.482 3.055 20 0 DGADMP C[NH+](CCCCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367213218 293039187 /nfs/dbraw/zinc/03/91/87/293039187.db2.gz VKWAWZTVYMLGOC-XYPWUTKMSA-N 2 1 310.482 3.055 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cccc4nccn43)C2)cc1 ZINC000368164451 293098299 /nfs/dbraw/zinc/09/82/99/293098299.db2.gz UQRIZSIBBOEHRL-KRWDZBQOSA-N 2 1 311.360 3.127 20 0 DGADMP Fc1ccc(O[C@H]2CCN(Cc3cccc4nccn43)C2)cc1 ZINC000368164451 293098303 /nfs/dbraw/zinc/09/83/03/293098303.db2.gz UQRIZSIBBOEHRL-KRWDZBQOSA-N 2 1 311.360 3.127 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000370532508 293177478 /nfs/dbraw/zinc/17/74/78/293177478.db2.gz ATZAQJGPTWTTLN-UBHSHLNASA-N 2 1 309.841 3.021 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000370532508 293177479 /nfs/dbraw/zinc/17/74/79/293177479.db2.gz ATZAQJGPTWTTLN-UBHSHLNASA-N 2 1 309.841 3.021 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373389805 293268710 /nfs/dbraw/zinc/26/87/10/293268710.db2.gz AIRRBHXEHZNQGG-CEXWTWQISA-N 2 1 309.542 3.161 20 0 DGADMP Fc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000373596032 293295145 /nfs/dbraw/zinc/29/51/45/293295145.db2.gz KFIQCGDHBGRMNM-UHFFFAOYSA-N 2 1 305.441 3.355 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCS2 ZINC000373636986 293300191 /nfs/dbraw/zinc/30/01/91/293300191.db2.gz GSHXVYUUZKKETM-GRDNDAEWSA-N 2 1 318.486 3.449 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCS2 ZINC000373636986 293300194 /nfs/dbraw/zinc/30/01/94/293300194.db2.gz GSHXVYUUZKKETM-GRDNDAEWSA-N 2 1 318.486 3.449 20 0 DGADMP COCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374053050 293347628 /nfs/dbraw/zinc/34/76/28/293347628.db2.gz HFIOCRMSDVATFE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374053050 293347630 /nfs/dbraw/zinc/34/76/30/293347630.db2.gz HFIOCRMSDVATFE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374053050 293347631 /nfs/dbraw/zinc/34/76/31/293347631.db2.gz HFIOCRMSDVATFE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000449059837 433715700 /nfs/dbraw/zinc/71/57/00/433715700.db2.gz CWSZWNRYASEXHM-LLVKDONJSA-N 2 1 317.260 3.445 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000449084075 433726392 /nfs/dbraw/zinc/72/63/92/433726392.db2.gz WJKITFRAWCZRIY-JDGDGYACSA-N 2 1 306.494 3.473 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000449084075 433726396 /nfs/dbraw/zinc/72/63/96/433726396.db2.gz WJKITFRAWCZRIY-JDGDGYACSA-N 2 1 306.494 3.473 20 0 DGADMP C[C@@H]1CC(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)C[C@@H](C)C1 ZINC000362485087 433727609 /nfs/dbraw/zinc/72/76/09/433727609.db2.gz NOJWWDCORMORGB-IRXDYDNUSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@H]1CC(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)C[C@H](C)C1 ZINC000362485086 433728139 /nfs/dbraw/zinc/72/81/39/433728139.db2.gz NOJWWDCORMORGB-IAGOWNOFSA-N 2 1 310.526 3.227 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356854257 433730970 /nfs/dbraw/zinc/73/09/70/433730970.db2.gz UGTSAXRJPSOFHO-MJGOQNOKSA-N 2 1 316.489 3.364 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)C1CCCCC1 ZINC000421819142 433746070 /nfs/dbraw/zinc/74/60/70/433746070.db2.gz FJDHKYDNEBAUBI-QUCCMNQESA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857050 433758168 /nfs/dbraw/zinc/75/81/68/433758168.db2.gz AVVGLNOVDOVRRZ-VDZJLULYSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857050 433758178 /nfs/dbraw/zinc/75/81/78/433758178.db2.gz AVVGLNOVDOVRRZ-VDZJLULYSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000351862475 433759416 /nfs/dbraw/zinc/75/94/16/433759416.db2.gz PJZCAUXNFOFFPL-APWZRJJASA-N 2 1 310.441 3.435 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000414664043 433778285 /nfs/dbraw/zinc/77/82/85/433778285.db2.gz SUQYYOXSDNYEHR-SQWLQELKSA-N 2 1 308.441 3.072 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555214 433782490 /nfs/dbraw/zinc/78/24/90/433782490.db2.gz FKJLPGHJKYSPRG-BWDYHRDRSA-N 2 1 306.400 3.396 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555214 433782501 /nfs/dbraw/zinc/78/25/01/433782501.db2.gz FKJLPGHJKYSPRG-BWDYHRDRSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555214 433782512 /nfs/dbraw/zinc/78/25/12/433782512.db2.gz FKJLPGHJKYSPRG-BWDYHRDRSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555214 433782523 /nfs/dbraw/zinc/78/25/23/433782523.db2.gz FKJLPGHJKYSPRG-BWDYHRDRSA-N 2 1 306.400 3.396 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH2+]1 ZINC000414683116 433789045 /nfs/dbraw/zinc/78/90/45/433789045.db2.gz SPOANHYHVBKCMP-SJORKVTESA-N 2 1 301.478 3.107 20 0 DGADMP CC[C@@H](COC)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000283849496 433789164 /nfs/dbraw/zinc/78/91/64/433789164.db2.gz BDLJICPOPKKALZ-VIQWUECVSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414678625 433789272 /nfs/dbraw/zinc/78/92/72/433789272.db2.gz KXMIUHDQOMGYTH-GHMZBOCLSA-N 2 1 317.296 3.331 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414704324 433801035 /nfs/dbraw/zinc/80/10/35/433801035.db2.gz MZNKWERDIONHKY-JZXOWHBKSA-N 2 1 304.503 3.473 20 0 DGADMP CCC[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414772539 433825020 /nfs/dbraw/zinc/82/50/20/433825020.db2.gz CBOVQUPRZLZSMF-OALUTQOASA-N 2 1 316.489 3.258 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1)CC1CC1 ZINC000414736395 433810766 /nfs/dbraw/zinc/81/07/66/433810766.db2.gz GPKMNMIVJFMHAN-YLJYHZDGSA-N 3 1 321.553 3.209 20 0 DGADMP c1ccc(CC(Cc2ccccc2)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000414728505 433813747 /nfs/dbraw/zinc/81/37/47/433813747.db2.gz CFKFORIJXJSDOW-SZPZYZBQSA-N 2 1 320.480 3.239 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]2C ZINC000414756529 433815833 /nfs/dbraw/zinc/81/58/33/433815833.db2.gz JYKICIIOVMJTCS-CAOSSQGBSA-N 2 1 302.462 3.391 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]1 ZINC000414758665 433820326 /nfs/dbraw/zinc/82/03/26/433820326.db2.gz VINGFAYOOSFVEF-BQFCYCMXSA-N 2 1 320.452 3.195 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000362685899 433820722 /nfs/dbraw/zinc/82/07/22/433820722.db2.gz GGVBCLAZMKGHPL-GOSISDBHSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000362685899 433820727 /nfs/dbraw/zinc/82/07/27/433820727.db2.gz GGVBCLAZMKGHPL-GOSISDBHSA-N 2 1 301.409 3.428 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000414848556 433877183 /nfs/dbraw/zinc/87/71/83/433877183.db2.gz WHRRJEUFDWTYCU-FUHWJXTLSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000414848556 433877193 /nfs/dbraw/zinc/87/71/93/433877193.db2.gz WHRRJEUFDWTYCU-FUHWJXTLSA-N 2 1 301.478 3.073 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774098 433826910 /nfs/dbraw/zinc/82/69/10/433826910.db2.gz FGTBOVRPRMOSKG-ZIAGYGMSSA-N 2 1 308.853 3.170 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414779928 433828326 /nfs/dbraw/zinc/82/83/26/433828326.db2.gz KXVWCOQLQXUVMS-CABCVRRESA-N 2 1 310.388 3.110 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414776771 433828871 /nfs/dbraw/zinc/82/88/71/433828871.db2.gz HRLRXBHWLGATBY-RBSFLKMASA-N 2 1 319.518 3.089 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432418026 433829040 /nfs/dbraw/zinc/82/90/40/433829040.db2.gz YBPPNYRKCGDXCE-QZTJIDSGSA-N 2 1 304.478 3.455 20 0 DGADMP COc1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866730 433829657 /nfs/dbraw/zinc/82/96/57/433829657.db2.gz LIPBKLILJFBXPV-AEFFLSMTSA-N 2 1 317.477 3.177 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432447171 433829701 /nfs/dbraw/zinc/82/97/01/433829701.db2.gz OIFCEVULMCSMLN-UYAOXDASSA-N 2 1 318.505 3.488 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432447171 433829709 /nfs/dbraw/zinc/82/97/09/433829709.db2.gz OIFCEVULMCSMLN-UYAOXDASSA-N 2 1 318.505 3.488 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414779480 433829903 /nfs/dbraw/zinc/82/99/03/433829903.db2.gz KCSPCRKOKLIUSB-LSDHHAIUSA-N 2 1 307.507 3.163 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414789027 433833422 /nfs/dbraw/zinc/83/34/22/433833422.db2.gz XRWWATSNMAKUOD-ROUUACIJSA-N 2 1 314.473 3.297 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000414788991 433833766 /nfs/dbraw/zinc/83/37/66/433833766.db2.gz XQFZNUSRZUVMSY-QZTJIDSGSA-N 2 1 324.472 3.002 20 0 DGADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C3CC[NH2+]CC3)cc2c1 ZINC000414783885 433834500 /nfs/dbraw/zinc/83/45/00/433834500.db2.gz GVBBZMDLTQAGTK-UHFFFAOYSA-N 2 1 324.472 3.067 20 0 DGADMP Clc1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000414786269 433835804 /nfs/dbraw/zinc/83/58/04/433835804.db2.gz UKEBSOPMAYUQDU-LSDHHAIUSA-N 2 1 320.864 3.096 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414786257 433836041 /nfs/dbraw/zinc/83/60/41/433836041.db2.gz UJAFVCBRKIZOJU-ZIAGYGMSSA-N 2 1 307.507 3.262 20 0 DGADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414790524 433838258 /nfs/dbraw/zinc/83/82/58/433838258.db2.gz ZZICNPPMKVBLIX-SJORKVTESA-N 2 1 311.429 3.163 20 0 DGADMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OCc1ccccc1 ZINC000414799279 433844689 /nfs/dbraw/zinc/84/46/89/433844689.db2.gz GOJSDQLSATZSHR-UHFFFAOYSA-N 2 1 314.429 3.101 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000414800358 433844868 /nfs/dbraw/zinc/84/48/68/433844868.db2.gz HSXYZRCPRRNGNQ-UHFFFAOYSA-N 2 1 315.255 3.065 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000414813356 433854866 /nfs/dbraw/zinc/85/48/66/433854866.db2.gz MJISSIWKXHKMAP-ZBFHGGJFSA-N 2 1 305.466 3.128 20 0 DGADMP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000357081661 433856070 /nfs/dbraw/zinc/85/60/70/433856070.db2.gz WGDNTCJKDBUCFA-AWEZNQCLSA-N 2 1 303.233 3.106 20 0 DGADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000357081661 433856079 /nfs/dbraw/zinc/85/60/79/433856079.db2.gz WGDNTCJKDBUCFA-AWEZNQCLSA-N 2 1 303.233 3.106 20 0 DGADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000344299259 433859544 /nfs/dbraw/zinc/85/95/44/433859544.db2.gz FAKWKDQUJOYZIG-QGZVFWFLSA-N 2 1 315.417 3.082 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000414814986 433859985 /nfs/dbraw/zinc/85/99/85/433859985.db2.gz ZRVJQSDFVIDHGD-FPAYPSAMSA-N 3 1 307.526 3.137 20 0 DGADMP C[C@@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357115543 433869981 /nfs/dbraw/zinc/86/99/81/433869981.db2.gz KSXXJNBQPALFGU-BDXSIMOUSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357115543 433869993 /nfs/dbraw/zinc/86/99/93/433869993.db2.gz KSXXJNBQPALFGU-BDXSIMOUSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357115543 433870002 /nfs/dbraw/zinc/87/00/02/433870002.db2.gz KSXXJNBQPALFGU-BDXSIMOUSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC([NH3+])CC1 ZINC000435381568 433871202 /nfs/dbraw/zinc/87/12/02/433871202.db2.gz WYLJFOAOOZBWSI-UHFFFAOYSA-N 2 1 312.461 3.093 20 0 DGADMP CCCOc1c(Cl)cc(C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000414886378 433898937 /nfs/dbraw/zinc/89/89/37/433898937.db2.gz PVWURHHDVSHHPM-UHFFFAOYSA-N 2 1 312.841 3.108 20 0 DGADMP C[N@@H+](C[C@@H](O)CN(Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091673 433908478 /nfs/dbraw/zinc/90/84/78/433908478.db2.gz GWDNRICETFKHQE-QGZVFWFLSA-N 2 1 322.880 3.007 20 0 DGADMP C[C@]1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCC[NH2+]C1 ZINC000414901372 433908629 /nfs/dbraw/zinc/90/86/29/433908629.db2.gz JQIMAEMDZSNZOD-HNNXBMFYSA-N 2 1 318.795 3.421 20 0 DGADMP C[C@]1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CCC[NH2+]C1 ZINC000414912105 433913445 /nfs/dbraw/zinc/91/34/45/433913445.db2.gz UXVOFCUPMPAYEX-KRWDZBQOSA-N 2 1 301.459 3.289 20 0 DGADMP O[C@@H](CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000377564258 433917647 /nfs/dbraw/zinc/91/76/47/433917647.db2.gz PJLGCWAXWZXOSB-MOPGFXCFSA-N 2 1 302.462 3.060 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]1 ZINC000414952903 433936014 /nfs/dbraw/zinc/93/60/14/433936014.db2.gz REIGJPUDQVQAOQ-GXSJLCMTSA-N 2 1 304.768 3.172 20 0 DGADMP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436289944 433931200 /nfs/dbraw/zinc/93/12/00/433931200.db2.gz XWNPZSNFNXYAQN-NCXUSEDFSA-N 2 1 318.505 3.331 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414944478 433932297 /nfs/dbraw/zinc/93/22/97/433932297.db2.gz GUZXLQPNIFHHAZ-WBVHZDCISA-N 2 1 312.461 3.226 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285379659 433933167 /nfs/dbraw/zinc/93/31/67/433933167.db2.gz CRUBCWZACKOXBN-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP CCc1cccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285379659 433933175 /nfs/dbraw/zinc/93/31/75/433933175.db2.gz CRUBCWZACKOXBN-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP CCc1cccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285379659 433933182 /nfs/dbraw/zinc/93/31/82/433933182.db2.gz CRUBCWZACKOXBN-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000414848552 433879767 /nfs/dbraw/zinc/87/97/67/433879767.db2.gz WHRRJEUFDWTYCU-AEFFLSMTSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000414848552 433879774 /nfs/dbraw/zinc/87/97/74/433879774.db2.gz WHRRJEUFDWTYCU-AEFFLSMTSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000293836452 433887819 /nfs/dbraw/zinc/88/78/19/433887819.db2.gz XKLGRKRCRRFIBZ-SUNKGSAMSA-N 2 1 316.367 3.245 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000293836452 433887837 /nfs/dbraw/zinc/88/78/37/433887837.db2.gz XKLGRKRCRRFIBZ-SUNKGSAMSA-N 2 1 316.367 3.245 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)s2)o1 ZINC000414856546 433888698 /nfs/dbraw/zinc/88/86/98/433888698.db2.gz OHYSJOMSSDGYOB-STQMWFEESA-N 2 1 305.447 3.189 20 0 DGADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414861601 433890809 /nfs/dbraw/zinc/89/08/09/433890809.db2.gz SEOGPZNVFNZTKS-GJZGRUSLSA-N 2 1 315.383 3.272 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414970149 433943343 /nfs/dbraw/zinc/94/33/43/433943343.db2.gz KAWYJNGCWNWCDR-CYBMUJFWSA-N 2 1 307.488 3.349 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC2CCSCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422726650 433950975 /nfs/dbraw/zinc/95/09/75/433950975.db2.gz FTZYLXLOBIPNCM-QZTJIDSGSA-N 2 1 320.502 3.221 20 0 DGADMP COc1ccc([C@H]([NH2+]CC2CCSCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422726651 433951322 /nfs/dbraw/zinc/95/13/22/433951322.db2.gz FTZYLXLOBIPNCM-ROUUACIJSA-N 2 1 320.502 3.221 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1OC ZINC000422725630 433951717 /nfs/dbraw/zinc/95/17/17/433951717.db2.gz YGIALBROWQQRRA-IXDOHACOSA-N 2 1 318.461 3.104 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414987207 433958588 /nfs/dbraw/zinc/95/85/88/433958588.db2.gz DJANLCUVZRYQRR-OALUTQOASA-N 3 1 317.521 3.252 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414987207 433958598 /nfs/dbraw/zinc/95/85/98/433958598.db2.gz DJANLCUVZRYQRR-OALUTQOASA-N 2 1 317.521 3.252 20 0 DGADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422735233 433960612 /nfs/dbraw/zinc/96/06/12/433960612.db2.gz DQHATRMHCNYAQI-UXHICEINSA-N 3 1 315.505 3.191 20 0 DGADMP COc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000436409362 433960967 /nfs/dbraw/zinc/96/09/67/433960967.db2.gz YLINFHPUFNFNSZ-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP C[C@@H]1[C@H](NCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340180800 433962212 /nfs/dbraw/zinc/96/22/12/433962212.db2.gz MTGKAEQHHYJMBT-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1[C@H]([NH2+]CCC[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000340180800 433962222 /nfs/dbraw/zinc/96/22/22/433962222.db2.gz MTGKAEQHHYJMBT-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340183186 433964159 /nfs/dbraw/zinc/96/41/59/433964159.db2.gz KVZFRNUIEJKPGL-UXHICEINSA-N 2 1 315.505 3.143 20 0 DGADMP COc1ccc(CCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422741688 433965052 /nfs/dbraw/zinc/96/50/52/433965052.db2.gz QAEVLOLCQPMCMA-OXJNMPFZSA-N 2 1 312.457 3.176 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOC1CCCCCC1 ZINC000422750680 433972251 /nfs/dbraw/zinc/97/22/51/433972251.db2.gz AHPOILGHBFFHJI-APWZRJJASA-N 2 1 304.478 3.274 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)s2)o1 ZINC000415124982 433972689 /nfs/dbraw/zinc/97/26/89/433972689.db2.gz KTRVFZIUJSXDHR-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)s2)o1 ZINC000415124982 433972697 /nfs/dbraw/zinc/97/26/97/433972697.db2.gz KTRVFZIUJSXDHR-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC[NH2+]2)cc1 ZINC000415090890 433977119 /nfs/dbraw/zinc/97/71/19/433977119.db2.gz PPQALKIQVDTLHP-LFDJNIOPSA-N 2 1 300.446 3.027 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000415130122 433978415 /nfs/dbraw/zinc/97/84/15/433978415.db2.gz QLLRDNYVAHTQJM-SJLPKXTDSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000415130122 433978418 /nfs/dbraw/zinc/97/84/18/433978418.db2.gz QLLRDNYVAHTQJM-SJLPKXTDSA-N 2 1 324.472 3.266 20 0 DGADMP CCOc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OCC ZINC000422760412 433980008 /nfs/dbraw/zinc/98/00/08/433980008.db2.gz MDTMMRVJLQYVQO-NVXWUHKLSA-N 2 1 320.477 3.147 20 0 DGADMP CSc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285518939 433980108 /nfs/dbraw/zinc/98/01/08/433980108.db2.gz OCKYZTDKDRBQEZ-XYPWUTKMSA-N 2 1 320.502 3.344 20 0 DGADMP CSc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285518939 433980117 /nfs/dbraw/zinc/98/01/17/433980117.db2.gz OCKYZTDKDRBQEZ-XYPWUTKMSA-N 2 1 320.502 3.344 20 0 DGADMP CSc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285518939 433980130 /nfs/dbraw/zinc/98/01/30/433980130.db2.gz OCKYZTDKDRBQEZ-XYPWUTKMSA-N 2 1 320.502 3.344 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)s2)o1 ZINC000415124984 433980126 /nfs/dbraw/zinc/98/01/26/433980126.db2.gz KTRVFZIUJSXDHR-YPMHNXCESA-N 2 1 305.447 3.128 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)s2)o1 ZINC000415124984 433980134 /nfs/dbraw/zinc/98/01/34/433980134.db2.gz KTRVFZIUJSXDHR-YPMHNXCESA-N 2 1 305.447 3.128 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422767595 433982005 /nfs/dbraw/zinc/98/20/05/433982005.db2.gz SZFFSYYJZCNTHR-HUBLWGQQSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000422766490 433985364 /nfs/dbraw/zinc/98/53/64/433985364.db2.gz QDQAIBAXQBJTCK-IAGOWNOFSA-N 3 1 303.494 3.367 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340216675 433987860 /nfs/dbraw/zinc/98/78/60/433987860.db2.gz UIZGLFQTVBATEE-ZBFHGGJFSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340216675 433987865 /nfs/dbraw/zinc/98/78/65/433987865.db2.gz UIZGLFQTVBATEE-ZBFHGGJFSA-N 2 1 308.491 3.117 20 0 DGADMP Cc1ccncc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767449 433989204 /nfs/dbraw/zinc/98/92/04/433989204.db2.gz HRYISMZXDOJVKX-TZIWHRDSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377767449 433989212 /nfs/dbraw/zinc/98/92/12/433989212.db2.gz HRYISMZXDOJVKX-TZIWHRDSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377767449 433989223 /nfs/dbraw/zinc/98/92/23/433989223.db2.gz HRYISMZXDOJVKX-TZIWHRDSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377767449 433989233 /nfs/dbraw/zinc/98/92/33/433989233.db2.gz HRYISMZXDOJVKX-TZIWHRDSSA-N 2 1 321.468 3.344 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340216672 433989882 /nfs/dbraw/zinc/98/98/82/433989882.db2.gz UIZGLFQTVBATEE-GOEBONIOSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340216672 433989890 /nfs/dbraw/zinc/98/98/90/433989890.db2.gz UIZGLFQTVBATEE-GOEBONIOSA-N 2 1 308.491 3.117 20 0 DGADMP COc1cccc(OC)c1CNCCC[N@H+]1CCCC[C@H]1C ZINC000352230472 433991759 /nfs/dbraw/zinc/99/17/59/433991759.db2.gz KNCAMGUFKUFINF-OAHLLOKOSA-N 2 1 306.450 3.058 20 0 DGADMP CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436313784 433937985 /nfs/dbraw/zinc/93/79/85/433937985.db2.gz XQBQMPCDICFCPR-IBGZPJMESA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414960419 433940928 /nfs/dbraw/zinc/94/09/28/433940928.db2.gz QQWAWWANUHQNPG-GHMZBOCLSA-N 2 1 317.246 3.107 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704382 433941416 /nfs/dbraw/zinc/94/14/16/433941416.db2.gz PODLXYUBXUTUMA-HNAYVOBHSA-N 2 1 322.456 3.044 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C2CC2)c1 ZINC000340238902 434004779 /nfs/dbraw/zinc/00/47/79/434004779.db2.gz LLXIIKZESADUTI-JXFKEZNVSA-N 2 1 316.489 3.452 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)c2ccccc21 ZINC000422800108 434008917 /nfs/dbraw/zinc/00/89/17/434008917.db2.gz AUGAQLNMXPOLNW-UXHICEINSA-N 2 1 318.424 3.166 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796756 434011408 /nfs/dbraw/zinc/01/14/08/434011408.db2.gz YYTRHOWZLIDUOG-UXHICEINSA-N 3 1 315.505 3.422 20 0 DGADMP C[N@@H+]1CC[C@H](N[C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246956 434012879 /nfs/dbraw/zinc/01/28/79/434012879.db2.gz ZGCWLPHYEDSKME-XUVXKRRUSA-N 2 1 310.441 3.145 20 0 DGADMP C[N@H+]1CC[C@H](N[C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246956 434012887 /nfs/dbraw/zinc/01/28/87/434012887.db2.gz ZGCWLPHYEDSKME-XUVXKRRUSA-N 2 1 310.441 3.145 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000340262398 434019562 /nfs/dbraw/zinc/01/95/62/434019562.db2.gz YNDLQQWAHUAZGP-HGKSCXNLSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262398 434019578 /nfs/dbraw/zinc/01/95/78/434019578.db2.gz YNDLQQWAHUAZGP-HGKSCXNLSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262398 434019586 /nfs/dbraw/zinc/01/95/86/434019586.db2.gz YNDLQQWAHUAZGP-HGKSCXNLSA-N 2 1 313.489 3.037 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C12CCCC2 ZINC000422809092 434019537 /nfs/dbraw/zinc/01/95/37/434019537.db2.gz RHQFBSMJLIISRA-XWTMOSNGSA-N 2 1 300.446 3.459 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422807912 434019832 /nfs/dbraw/zinc/01/98/32/434019832.db2.gz KJPXLVXDQFUGEA-GXFFZTMASA-N 2 1 318.795 3.419 20 0 DGADMP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422811106 434020481 /nfs/dbraw/zinc/02/04/81/434020481.db2.gz OJICFBTZSDYZKZ-YSTOQKLRSA-N 2 1 324.472 3.450 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422809026 434021612 /nfs/dbraw/zinc/02/16/12/434021612.db2.gz RCRSKMKCBOGVGZ-RBUKOAKNSA-N 2 1 314.404 3.374 20 0 DGADMP C[C@H](CCN[C@@H]1CCCCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816800 434023189 /nfs/dbraw/zinc/02/31/89/434023189.db2.gz BLVFKAGAVIFQQJ-NZSAHSFTSA-N 2 1 303.494 3.147 20 0 DGADMP CC[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813927 434023749 /nfs/dbraw/zinc/02/37/49/434023749.db2.gz ZCLPZXITFXHZGC-VAMGGRTRSA-N 2 1 315.505 3.073 20 0 DGADMP CC[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813927 434023758 /nfs/dbraw/zinc/02/37/58/434023758.db2.gz ZCLPZXITFXHZGC-VAMGGRTRSA-N 2 1 315.505 3.073 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000340270143 434027468 /nfs/dbraw/zinc/02/74/68/434027468.db2.gz BACSYPPYSZFXKY-FPAYPSAMSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000340270143 434027470 /nfs/dbraw/zinc/02/74/70/434027470.db2.gz BACSYPPYSZFXKY-FPAYPSAMSA-N 2 1 302.462 3.227 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000363381804 434032772 /nfs/dbraw/zinc/03/27/72/434032772.db2.gz KSJUFHJMBIGMFR-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000363381804 434032779 /nfs/dbraw/zinc/03/27/79/434032779.db2.gz KSJUFHJMBIGMFR-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000340281477 434036675 /nfs/dbraw/zinc/03/66/75/434036675.db2.gz VUSAPMRYSRMPKK-OALUTQOASA-N 2 1 307.526 3.200 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000401678220 293868988 /nfs/dbraw/zinc/86/89/88/293868988.db2.gz PSKOWEDMMXGITO-IBGZPJMESA-N 2 1 309.388 3.481 20 0 DGADMP CCCc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000305118143 434045921 /nfs/dbraw/zinc/04/59/21/434045921.db2.gz IQNMPSHGXXPBNZ-MRXNPFEDSA-N 2 1 304.478 3.137 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422781177 433993960 /nfs/dbraw/zinc/99/39/60/433993960.db2.gz DXRKBECFMQGKHA-RBUKOAKNSA-N 3 1 303.494 3.278 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000422777337 433995294 /nfs/dbraw/zinc/99/52/94/433995294.db2.gz FIZBDVDRDLREJZ-JTQLQIEISA-N 2 1 307.800 3.492 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340235590 433999468 /nfs/dbraw/zinc/99/94/68/433999468.db2.gz HJWBGRJOIZTMOH-ZCNNSNEGSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340235590 433999472 /nfs/dbraw/zinc/99/94/72/433999472.db2.gz HJWBGRJOIZTMOH-ZCNNSNEGSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340235590 433999480 /nfs/dbraw/zinc/99/94/80/433999480.db2.gz HJWBGRJOIZTMOH-ZCNNSNEGSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C[C@@H]1c1ccccc1 ZINC000340233273 434001635 /nfs/dbraw/zinc/00/16/35/434001635.db2.gz SWSZXFUXLHFSCP-WOJBJXKFSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C[C@@H]1c1ccccc1 ZINC000340233273 434001649 /nfs/dbraw/zinc/00/16/49/434001649.db2.gz SWSZXFUXLHFSCP-WOJBJXKFSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C[C@H]1c1ccccc1 ZINC000340233269 434002819 /nfs/dbraw/zinc/00/28/19/434002819.db2.gz SWSZXFUXLHFSCP-UXHICEINSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C[C@H]1c1ccccc1 ZINC000340233269 434002824 /nfs/dbraw/zinc/00/28/24/434002824.db2.gz SWSZXFUXLHFSCP-UXHICEINSA-N 2 1 310.441 3.104 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422860463 434061093 /nfs/dbraw/zinc/06/10/93/434061093.db2.gz MKNKQGCWKJELAO-GDBMZVCRSA-N 2 1 320.477 3.102 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868756 434065506 /nfs/dbraw/zinc/06/55/06/434065506.db2.gz VVQVGUVUICAPMR-IEWDOMPSSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000422868756 434065512 /nfs/dbraw/zinc/06/55/12/434065512.db2.gz VVQVGUVUICAPMR-IEWDOMPSSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868755 434066203 /nfs/dbraw/zinc/06/62/03/434066203.db2.gz VVQVGUVUICAPMR-FVVUREQNSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000422868755 434066215 /nfs/dbraw/zinc/06/62/15/434066215.db2.gz VVQVGUVUICAPMR-FVVUREQNSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422874079 434070331 /nfs/dbraw/zinc/07/03/31/434070331.db2.gz CDQUXWUWNSBJNC-SJORKVTESA-N 3 1 303.494 3.136 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422877375 434073419 /nfs/dbraw/zinc/07/34/19/434073419.db2.gz HWWHOUWOYNFIHW-GJJHYRHESA-N 2 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422877375 434073428 /nfs/dbraw/zinc/07/34/28/434073428.db2.gz HWWHOUWOYNFIHW-GJJHYRHESA-N 3 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422877375 434073434 /nfs/dbraw/zinc/07/34/34/434073434.db2.gz HWWHOUWOYNFIHW-GJJHYRHESA-N 3 1 315.505 3.134 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422880180 434076378 /nfs/dbraw/zinc/07/63/78/434076378.db2.gz NLBKMIMLRPXTBY-UNEWFSDZSA-N 2 1 321.896 3.062 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422878644 434077162 /nfs/dbraw/zinc/07/71/62/434077162.db2.gz JLAIKXJHMOLJLT-RBUKOAKNSA-N 3 1 301.478 3.233 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422878644 434077171 /nfs/dbraw/zinc/07/71/71/434077171.db2.gz JLAIKXJHMOLJLT-RBUKOAKNSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422884839 434083938 /nfs/dbraw/zinc/08/39/38/434083938.db2.gz FTUPMIGLQXZUJF-CHWSQXEVSA-N 2 1 303.381 3.228 20 0 DGADMP CN1CC[C@H]([NH2+][C@H](CO)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000340362351 434086672 /nfs/dbraw/zinc/08/66/72/434086672.db2.gz WBEJIFOHSHSBNQ-RCCFBDPRSA-N 2 1 316.470 3.207 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890342 434088597 /nfs/dbraw/zinc/08/85/97/434088597.db2.gz IEBNYYOETWEPEK-XWTMOSNGSA-N 3 1 317.521 3.380 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000340367965 434093964 /nfs/dbraw/zinc/09/39/64/434093964.db2.gz XQMCGHHFOLLVAY-KSZLIROESA-N 2 1 304.478 3.207 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000340367965 434093972 /nfs/dbraw/zinc/09/39/72/434093972.db2.gz XQMCGHHFOLLVAY-KSZLIROESA-N 2 1 304.478 3.207 20 0 DGADMP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000378139556 434095830 /nfs/dbraw/zinc/09/58/30/434095830.db2.gz LEMLPKDAXXQFHM-DFQSSKMNSA-N 2 1 319.537 3.079 20 0 DGADMP C[N@H+](C[C@@H]1CCCC[C@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685891 434097729 /nfs/dbraw/zinc/09/77/29/434097729.db2.gz ASMGAXHHQOWPIM-AZUAARDMSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685891 434097740 /nfs/dbraw/zinc/09/77/40/434097740.db2.gz ASMGAXHHQOWPIM-AZUAARDMSA-N 2 1 316.489 3.134 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340379497 434098533 /nfs/dbraw/zinc/09/85/33/434098533.db2.gz VNYHCPLUDLRQKW-BHIYHBOVSA-N 2 1 303.494 3.142 20 0 DGADMP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422905108 434098630 /nfs/dbraw/zinc/09/86/30/434098630.db2.gz HSEKOZFQJLXUSM-IAGOWNOFSA-N 2 1 312.413 3.457 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000378162405 434099661 /nfs/dbraw/zinc/09/96/61/434099661.db2.gz RWDHCLFLQDCPSI-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340307123 434052299 /nfs/dbraw/zinc/05/22/99/434052299.db2.gz NDABSPHEINBHPQ-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340307123 434052308 /nfs/dbraw/zinc/05/23/08/434052308.db2.gz NDABSPHEINBHPQ-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852770 434054212 /nfs/dbraw/zinc/05/42/12/434054212.db2.gz BHHAEZAHFQKGBN-FUHIMQAGSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422910136 434099832 /nfs/dbraw/zinc/09/98/32/434099832.db2.gz HHFKPEWGTVWDFZ-UKRRQHHQSA-N 2 1 307.507 3.321 20 0 DGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@H+](C4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422857646 434055417 /nfs/dbraw/zinc/05/54/17/434055417.db2.gz HHIVSQOZHGUIRC-NSHGMRRFSA-N 2 1 313.489 3.086 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340311011 434056762 /nfs/dbraw/zinc/05/67/62/434056762.db2.gz ZDQQNKJYMVUVDO-ROUUACIJSA-N 2 1 304.478 3.210 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340311011 434056771 /nfs/dbraw/zinc/05/67/71/434056771.db2.gz ZDQQNKJYMVUVDO-ROUUACIJSA-N 2 1 304.478 3.210 20 0 DGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@H+](C4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422857645 434057210 /nfs/dbraw/zinc/05/72/10/434057210.db2.gz HHIVSQOZHGUIRC-HBFSDRIKSA-N 2 1 313.489 3.086 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340318050 434057600 /nfs/dbraw/zinc/05/76/00/434057600.db2.gz SUOYFBWSBZNWQH-FHWLQOOXSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340318050 434057607 /nfs/dbraw/zinc/05/76/07/434057607.db2.gz SUOYFBWSBZNWQH-FHWLQOOXSA-N 2 1 316.489 3.209 20 0 DGADMP CN(C)c1cccnc1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397816 434106275 /nfs/dbraw/zinc/10/62/75/434106275.db2.gz VYNXEMOSPPHEKC-PXNSSMCTSA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1cccnc1C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340397816 434106281 /nfs/dbraw/zinc/10/62/81/434106281.db2.gz VYNXEMOSPPHEKC-PXNSSMCTSA-N 2 1 324.472 3.073 20 0 DGADMP CCCCOCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310014007 434109635 /nfs/dbraw/zinc/10/96/35/434109635.db2.gz MKSZBOIPOYIGMP-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310014007 434109643 /nfs/dbraw/zinc/10/96/43/434109643.db2.gz MKSZBOIPOYIGMP-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310014007 434109650 /nfs/dbraw/zinc/10/96/50/434109650.db2.gz MKSZBOIPOYIGMP-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000353413038 434116871 /nfs/dbraw/zinc/11/68/71/434116871.db2.gz NZIFPYDKRUXVOX-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP Fc1ccc(OCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422934856 434117436 /nfs/dbraw/zinc/11/74/36/434117436.db2.gz GMVMUFYJDKUTSY-HKUYNNGSSA-N 2 1 314.404 3.287 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000340393833 434101281 /nfs/dbraw/zinc/10/12/81/434101281.db2.gz HGZSLVHAJHSBST-IXDOHACOSA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000340393833 434101295 /nfs/dbraw/zinc/10/12/95/434101295.db2.gz HGZSLVHAJHSBST-IXDOHACOSA-N 2 1 312.498 3.207 20 0 DGADMP CC[C@@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422907731 434101746 /nfs/dbraw/zinc/10/17/46/434101746.db2.gz CGLZPVUNXPLBNH-MOPGFXCFSA-N 2 1 303.494 3.147 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)cs1 ZINC000422941609 434123689 /nfs/dbraw/zinc/12/36/89/434123689.db2.gz JQJNYFYWRCZLLF-FUNVUKJBSA-N 2 1 303.431 3.084 20 0 DGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000501008921 294128977 /nfs/dbraw/zinc/12/89/77/294128977.db2.gz VOHSGBWGQJQVNW-UHFFFAOYSA-N 2 1 309.542 3.446 20 0 DGADMP CCc1cc(OC)ccc1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000502280488 294161310 /nfs/dbraw/zinc/16/13/10/294161310.db2.gz JEFAKJFMPIOLKW-KRWDZBQOSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000502280488 294161311 /nfs/dbraw/zinc/16/13/11/294161311.db2.gz JEFAKJFMPIOLKW-KRWDZBQOSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000502280488 294161314 /nfs/dbraw/zinc/16/13/14/294161314.db2.gz JEFAKJFMPIOLKW-KRWDZBQOSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000502280488 294161317 /nfs/dbraw/zinc/16/13/17/294161317.db2.gz JEFAKJFMPIOLKW-KRWDZBQOSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000502280488 294161319 /nfs/dbraw/zinc/16/13/19/294161319.db2.gz JEFAKJFMPIOLKW-KRWDZBQOSA-N 2 1 316.489 3.421 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1F ZINC000503914838 294204643 /nfs/dbraw/zinc/20/46/43/294204643.db2.gz ZLWLCBZESAOZHN-DTZQCDIJSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1F ZINC000503914838 294204646 /nfs/dbraw/zinc/20/46/46/294204646.db2.gz ZLWLCBZESAOZHN-DTZQCDIJSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507479971 294300921 /nfs/dbraw/zinc/30/09/21/294300921.db2.gz AAQYSDRLOYCGHA-HAGHYFMRSA-N 2 1 316.489 3.038 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000508544159 294325420 /nfs/dbraw/zinc/32/54/20/294325420.db2.gz KRWMBUIPSARGMG-YTBHAWNYSA-N 2 1 302.462 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000508544159 294325424 /nfs/dbraw/zinc/32/54/24/294325424.db2.gz KRWMBUIPSARGMG-YTBHAWNYSA-N 2 1 302.462 3.120 20 0 DGADMP COc1cccc(CCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422947167 434133083 /nfs/dbraw/zinc/13/30/83/434133083.db2.gz PYFKWCAATPPHKT-OXQOHEQNSA-N 2 1 312.457 3.176 20 0 DGADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)on1 ZINC000378301761 434133698 /nfs/dbraw/zinc/13/36/98/434133698.db2.gz PDKKVEHIDXHOLK-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450232 434138174 /nfs/dbraw/zinc/13/81/74/434138174.db2.gz PWHMFFBABBCFSM-QGTPRVQTSA-N 2 1 311.429 3.273 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450232 434138181 /nfs/dbraw/zinc/13/81/81/434138181.db2.gz PWHMFFBABBCFSM-QGTPRVQTSA-N 2 1 311.429 3.273 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000340463761 434141736 /nfs/dbraw/zinc/14/17/36/434141736.db2.gz COGMBOYSADCHMC-IAGOWNOFSA-N 2 1 306.498 3.008 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000340463761 434141746 /nfs/dbraw/zinc/14/17/46/434141746.db2.gz COGMBOYSADCHMC-IAGOWNOFSA-N 2 1 306.498 3.008 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000378323141 434142954 /nfs/dbraw/zinc/14/29/54/434142954.db2.gz ZJHWEDLCAYWYCX-HBFSDRIKSA-N 2 1 315.505 3.014 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422974475 434146903 /nfs/dbraw/zinc/14/69/03/434146903.db2.gz RCWLTHDXEYZALQ-CRAIPNDOSA-N 2 1 317.477 3.271 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340468582 434148394 /nfs/dbraw/zinc/14/83/94/434148394.db2.gz FTIHNPKGZDDHAC-CEXWTWQISA-N 2 1 320.525 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423000574 434159532 /nfs/dbraw/zinc/15/95/32/434159532.db2.gz VOOTUANJTBTAGJ-MNEFBYGVSA-N 2 1 301.478 3.089 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423007551 434164575 /nfs/dbraw/zinc/16/45/75/434164575.db2.gz QYKHBINCMBSNFP-MRXNPFEDSA-N 3 1 315.461 3.129 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423007551 434164582 /nfs/dbraw/zinc/16/45/82/434164582.db2.gz QYKHBINCMBSNFP-MRXNPFEDSA-N 2 1 315.461 3.129 20 0 DGADMP C[N@H+]1Cc2ccccc2[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000378399074 434168173 /nfs/dbraw/zinc/16/81/73/434168173.db2.gz DXARSAIBZKSHLU-GOSISDBHSA-N 2 1 301.478 3.026 20 0 DGADMP C[N@@H+]1Cc2ccccc2[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000378399074 434168180 /nfs/dbraw/zinc/16/81/80/434168180.db2.gz DXARSAIBZKSHLU-GOSISDBHSA-N 2 1 301.478 3.026 20 0 DGADMP c1c[nH]c([C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)n1 ZINC000363861711 434169320 /nfs/dbraw/zinc/16/93/20/434169320.db2.gz GKWKFTWLVPGHIL-AEFFLSMTSA-N 2 1 310.445 3.106 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000315661893 434172492 /nfs/dbraw/zinc/17/24/92/434172492.db2.gz OUDITSZMRGGTNC-IPMKNSEASA-N 2 1 300.446 3.289 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353494147 434175802 /nfs/dbraw/zinc/17/58/02/434175802.db2.gz YERODYNZVPVZOY-YESZJQIVSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353494147 434175815 /nfs/dbraw/zinc/17/58/15/434175815.db2.gz YERODYNZVPVZOY-YESZJQIVSA-N 2 1 306.498 3.156 20 0 DGADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000353499974 434178913 /nfs/dbraw/zinc/17/89/13/434178913.db2.gz DYDXTQNQHKZASN-KRWDZBQOSA-N 2 1 318.505 3.383 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000340517906 434179223 /nfs/dbraw/zinc/17/92/23/434179223.db2.gz HIADQXYOGNPBKO-RCCFBDPRSA-N 2 1 306.494 3.188 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C)c1 ZINC000353501860 434181568 /nfs/dbraw/zinc/18/15/68/434181568.db2.gz JOQCJSRCMVBELP-FQEVSTJZSA-N 2 1 317.521 3.309 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423042649 434181596 /nfs/dbraw/zinc/18/15/96/434181596.db2.gz ZVPIDAOUWQTWMB-CQSZACIVSA-N 2 1 311.429 3.275 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cnccc3C)CC2)[nH+]c1 ZINC000357796135 434185166 /nfs/dbraw/zinc/18/51/66/434185166.db2.gz PQQRIMJYSFNRME-INIZCTEOSA-N 2 1 310.445 3.413 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1conc1Cc1ccccc1 ZINC000353511416 434188144 /nfs/dbraw/zinc/18/81/44/434188144.db2.gz BJHNBRFNEANFAK-UHFFFAOYSA-N 2 1 324.428 3.292 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1conc1Cc1ccccc1 ZINC000353511416 434188155 /nfs/dbraw/zinc/18/81/55/434188155.db2.gz BJHNBRFNEANFAK-UHFFFAOYSA-N 2 1 324.428 3.292 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423052792 434190660 /nfs/dbraw/zinc/19/06/60/434190660.db2.gz RESGJKWZKRKLLN-MOPGFXCFSA-N 2 1 314.404 3.374 20 0 DGADMP Brc1cccc(C[C@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423057221 434194407 /nfs/dbraw/zinc/19/44/07/434194407.db2.gz YUOYSYSSUXIMCJ-HOTGVXAUSA-N 2 1 323.278 3.112 20 0 DGADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000363992509 434199551 /nfs/dbraw/zinc/19/95/51/434199551.db2.gz AYMRFSAAZCFWIA-WOJBJXKFSA-N 2 1 316.489 3.451 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462481 434201238 /nfs/dbraw/zinc/20/12/38/434201238.db2.gz GUURYMDLSLHPEE-INIZCTEOSA-N 2 1 320.452 3.452 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462481 434201249 /nfs/dbraw/zinc/20/12/49/434201249.db2.gz GUURYMDLSLHPEE-INIZCTEOSA-N 2 1 320.452 3.452 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462481 434201256 /nfs/dbraw/zinc/20/12/56/434201256.db2.gz GUURYMDLSLHPEE-INIZCTEOSA-N 2 1 320.452 3.452 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462481 434201265 /nfs/dbraw/zinc/20/12/65/434201265.db2.gz GUURYMDLSLHPEE-INIZCTEOSA-N 2 1 320.452 3.452 20 0 DGADMP CCCc1ccc2[nH+]ccc(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000450456065 434201664 /nfs/dbraw/zinc/20/16/64/434201664.db2.gz WQCMKMAEBKRIDM-OAHLLOKOSA-N 2 1 306.413 3.233 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353551941 434219667 /nfs/dbraw/zinc/21/96/67/434219667.db2.gz MFZHWVPBICDUGI-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148676 434246476 /nfs/dbraw/zinc/24/64/76/434246476.db2.gz GJTUCOJQDANDDV-HKUYNNGSSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148676 434246485 /nfs/dbraw/zinc/24/64/85/434246485.db2.gz GJTUCOJQDANDDV-HKUYNNGSSA-N 2 1 315.505 3.019 20 0 DGADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000295186407 434247739 /nfs/dbraw/zinc/24/77/39/434247739.db2.gz NIJNYCSIZFCXSR-LLVKDONJSA-N 2 1 300.406 3.157 20 0 DGADMP COC[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159877 434256265 /nfs/dbraw/zinc/25/62/65/434256265.db2.gz YPVJYCDBGBZXRW-JLJPHGGASA-N 2 1 310.869 3.190 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000379656529 434256385 /nfs/dbraw/zinc/25/63/85/434256385.db2.gz PLHRYUAMSVDELP-BWPNAZKDSA-N 2 1 315.505 3.160 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382068330 434276292 /nfs/dbraw/zinc/27/62/92/434276292.db2.gz ROLMUIPQKYTSBT-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP COC[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159878 434256989 /nfs/dbraw/zinc/25/69/89/434256989.db2.gz YPVJYCDBGBZXRW-KMFMINBZSA-N 2 1 310.869 3.190 20 0 DGADMP COCC1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423193205 434276451 /nfs/dbraw/zinc/27/64/51/434276451.db2.gz VJVHZOVADHBWKQ-JDGDGYACSA-N 2 1 302.462 3.275 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CCC(OC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423170473 434264072 /nfs/dbraw/zinc/26/40/72/434264072.db2.gz MDRXEECLZCXIDY-FYOYPEGLSA-N 2 1 318.461 3.036 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000423176052 434264951 /nfs/dbraw/zinc/26/49/51/434264951.db2.gz BSKSKRULMPAVKW-OAHLLOKOSA-N 2 1 312.461 3.200 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380948780 434267108 /nfs/dbraw/zinc/26/71/08/434267108.db2.gz QFKSZLIRTLREHD-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000423179713 434267793 /nfs/dbraw/zinc/26/77/93/434267793.db2.gz JUECXWJDWMJKAG-VXGBXAGGSA-N 2 1 303.631 3.072 20 0 DGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181868 434268085 /nfs/dbraw/zinc/26/80/85/434268085.db2.gz DFXHQMYMJQIXRM-AUUYWEPGSA-N 2 1 313.420 3.224 20 0 DGADMP c1ccc2cc(OCC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC000324014714 434270130 /nfs/dbraw/zinc/27/01/30/434270130.db2.gz OSOFMIIXEQAYEW-KDURUIRLSA-N 2 1 310.441 3.150 20 0 DGADMP CC1(C)CCC(C)(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423196484 434274754 /nfs/dbraw/zinc/27/47/54/434274754.db2.gz ZTQIXGLEUSGYHB-BRWVUGGUSA-N 2 1 308.510 3.340 20 0 DGADMP COC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381907941 434275295 /nfs/dbraw/zinc/27/52/95/434275295.db2.gz JFUZABBUHMDSIU-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381907941 434275304 /nfs/dbraw/zinc/27/53/04/434275304.db2.gz JFUZABBUHMDSIU-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381907941 434275309 /nfs/dbraw/zinc/27/53/09/434275309.db2.gz JFUZABBUHMDSIU-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111307 434221635 /nfs/dbraw/zinc/22/16/35/434221635.db2.gz ISHBJZWGTMKUQW-BQFCYCMXSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423111307 434221643 /nfs/dbraw/zinc/22/16/43/434221643.db2.gz ISHBJZWGTMKUQW-BQFCYCMXSA-N 2 1 303.494 3.003 20 0 DGADMP CCC[N@@H+](C)[C@H](CNC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423109443 434222648 /nfs/dbraw/zinc/22/26/48/434222648.db2.gz SNQUMVANUOSSGS-QGZVFWFLSA-N 2 1 309.885 3.065 20 0 DGADMP COC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000286304600 434225723 /nfs/dbraw/zinc/22/57/23/434225723.db2.gz XFTSZIUWXJFHEL-MHJFOBGBSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423114031 434227798 /nfs/dbraw/zinc/22/77/98/434227798.db2.gz ZTSCIOCQUFJGTO-OCCSQVGLSA-N 2 1 313.392 3.083 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000319993735 434231914 /nfs/dbraw/zinc/23/19/14/434231914.db2.gz LBJBZBPVLWVBED-OAHLLOKOSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423122184 434235017 /nfs/dbraw/zinc/23/50/17/434235017.db2.gz JNSRIKMABLJDAZ-GDAAHCPNSA-N 2 1 324.472 3.444 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000353572639 434239432 /nfs/dbraw/zinc/23/94/32/434239432.db2.gz YNCKOPSCYJULOR-HOTGVXAUSA-N 2 1 322.493 3.262 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000353572639 434239437 /nfs/dbraw/zinc/23/94/37/434239437.db2.gz YNCKOPSCYJULOR-HOTGVXAUSA-N 2 1 322.493 3.262 20 0 DGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423127896 434239602 /nfs/dbraw/zinc/23/96/02/434239602.db2.gz PXZKFBOWYXFWCL-AMIZOPFISA-N 2 1 308.294 3.201 20 0 DGADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)C[C@@H]1c1ccccc1 ZINC000423205982 434280281 /nfs/dbraw/zinc/28/02/81/434280281.db2.gz WOGQPRZFJHCXHJ-RBUKOAKNSA-N 2 1 315.505 3.463 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1([NH3+])CCCCCC1)CC2 ZINC000423203591 434283057 /nfs/dbraw/zinc/28/30/57/434283057.db2.gz SQZWHSWALMWDRW-INIZCTEOSA-N 2 1 318.461 3.332 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000423208382 434284616 /nfs/dbraw/zinc/28/46/16/434284616.db2.gz HTWBJZGZJPESAF-XEVCZEQESA-N 2 1 315.505 3.019 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000450605010 434287778 /nfs/dbraw/zinc/28/77/78/434287778.db2.gz YCUOLAGWADXUDH-JCGIZDLHSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000450605010 434287785 /nfs/dbraw/zinc/28/77/85/434287785.db2.gz YCUOLAGWADXUDH-JCGIZDLHSA-N 2 1 322.880 3.332 20 0 DGADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000516782265 294631009 /nfs/dbraw/zinc/63/10/09/294631009.db2.gz MBDLDPIVQRSVTP-MRXNPFEDSA-N 2 1 316.489 3.061 20 0 DGADMP C[NH+](C)Cc1cnc(CN2CC3(CCCC3)OC(C)(C)C2)s1 ZINC000348401048 434304276 /nfs/dbraw/zinc/30/42/76/434304276.db2.gz CXOLZOZKYNXMJZ-UHFFFAOYSA-N 2 1 323.506 3.128 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348403139 434305089 /nfs/dbraw/zinc/30/50/89/434305089.db2.gz CPAGORCNHJTIDU-WZGPROSRSA-N 2 1 302.462 3.054 20 0 DGADMP CCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000295323137 434308093 /nfs/dbraw/zinc/30/80/93/434308093.db2.gz LXECPAWPEMZCFI-MSOLQXFVSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000295323137 434308104 /nfs/dbraw/zinc/30/81/04/434308104.db2.gz LXECPAWPEMZCFI-MSOLQXFVSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348423832 434315678 /nfs/dbraw/zinc/31/56/78/434315678.db2.gz VZEWYUDYTCQBLA-RBSFLKMASA-N 2 1 322.415 3.196 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348423832 434315687 /nfs/dbraw/zinc/31/56/87/434315687.db2.gz VZEWYUDYTCQBLA-RBSFLKMASA-N 2 1 322.415 3.196 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000423257886 434318205 /nfs/dbraw/zinc/31/82/05/434318205.db2.gz ANFYWOXLAZJIPT-FMKPAKJESA-N 2 1 308.466 3.159 20 0 DGADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000423259875 434319622 /nfs/dbraw/zinc/31/96/22/434319622.db2.gz FVWZHGKLUCQQGR-DGCLKSJQSA-N 2 1 316.392 3.321 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423263603 434324979 /nfs/dbraw/zinc/32/49/79/434324979.db2.gz BDVQAQIMJRTWGC-ACBHZAAOSA-N 3 1 303.494 3.003 20 0 DGADMP CC(C)[C@@H](N)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423263603 434324984 /nfs/dbraw/zinc/32/49/84/434324984.db2.gz BDVQAQIMJRTWGC-ACBHZAAOSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)[C@@H](N)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423263603 434324992 /nfs/dbraw/zinc/32/49/92/434324992.db2.gz BDVQAQIMJRTWGC-ACBHZAAOSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)c2cccc(Br)c21 ZINC000423267250 434325499 /nfs/dbraw/zinc/32/54/99/434325499.db2.gz CPKKNXGRSLPTAC-OWYVNGRQSA-N 2 1 309.251 3.324 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000388237442 434329422 /nfs/dbraw/zinc/32/94/22/434329422.db2.gz ZDGQVKYOYVESPG-AKHDSKFASA-N 2 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000388237442 434329427 /nfs/dbraw/zinc/32/94/27/434329427.db2.gz ZDGQVKYOYVESPG-AKHDSKFASA-N 3 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000388237442 434329437 /nfs/dbraw/zinc/32/94/37/434329437.db2.gz ZDGQVKYOYVESPG-AKHDSKFASA-N 3 1 307.526 3.151 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423268765 434329597 /nfs/dbraw/zinc/32/95/97/434329597.db2.gz GKBSSGGOSRUPSI-ZJUUUORDSA-N 2 1 306.784 3.448 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423269291 434330057 /nfs/dbraw/zinc/33/00/57/434330057.db2.gz FHCWDGCVISJDEW-KGLIPLIRSA-N 2 1 302.340 3.363 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423269749 434330080 /nfs/dbraw/zinc/33/00/80/434330080.db2.gz HMOLZSMAZGZOPJ-FZMZJTMJSA-N 2 1 304.356 3.262 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000388237451 434330433 /nfs/dbraw/zinc/33/04/33/434330433.db2.gz ZDGQVKYOYVESPG-YDZRNGNQSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000388237451 434330444 /nfs/dbraw/zinc/33/04/44/434330444.db2.gz ZDGQVKYOYVESPG-YDZRNGNQSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000388237451 434330450 /nfs/dbraw/zinc/33/04/50/434330450.db2.gz ZDGQVKYOYVESPG-YDZRNGNQSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423269368 434330653 /nfs/dbraw/zinc/33/06/53/434330653.db2.gz FPXVHJWQKMMYJH-BHDSKKPTSA-N 2 1 317.260 3.476 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423268351 434330681 /nfs/dbraw/zinc/33/06/81/434330681.db2.gz GCKKBXZLNLHITM-IFXJQAMLSA-N 2 1 316.420 3.369 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000388358850 434332799 /nfs/dbraw/zinc/33/27/99/434332799.db2.gz LJHBLNWKVLHHFR-GPMSIDNRSA-N 2 1 304.478 3.423 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@@H]1C[C@H]1C ZINC000423323360 434361558 /nfs/dbraw/zinc/36/15/58/434361558.db2.gz HFXGAVQZTCHUNZ-QSGLGXSPSA-N 2 1 302.462 3.165 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)CC[N@H+]1C ZINC000358163506 434362445 /nfs/dbraw/zinc/36/24/45/434362445.db2.gz ZRNZUWAEGIEXMZ-CHWSQXEVSA-N 2 1 322.403 3.046 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423330897 434363387 /nfs/dbraw/zinc/36/33/87/434363387.db2.gz UJJDLXWEMXGPKR-HUUCEWRRSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423378912 434391536 /nfs/dbraw/zinc/39/15/36/434391536.db2.gz WZFXUFOAOSYCRN-UONOGXRCSA-N 2 1 302.393 3.403 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC34CC4)CC2)cc1 ZINC000417362894 434365990 /nfs/dbraw/zinc/36/59/90/434365990.db2.gz LJXIFVFOASIUKG-MRXNPFEDSA-N 2 1 302.437 3.222 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423327974 434367262 /nfs/dbraw/zinc/36/72/62/434367262.db2.gz RSYJYYJEVPBORM-LRDDRELGSA-N 2 1 315.486 3.430 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000390714218 434367559 /nfs/dbraw/zinc/36/75/59/434367559.db2.gz JQTJAKLWFHGHFH-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907019 434374498 /nfs/dbraw/zinc/37/44/98/434374498.db2.gz LPDCLUHOGIBNSH-WOJBJXKFSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907019 434374506 /nfs/dbraw/zinc/37/45/06/434374506.db2.gz LPDCLUHOGIBNSH-WOJBJXKFSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC3(C[NH3+])CC3)c2C1 ZINC000423368092 434385186 /nfs/dbraw/zinc/38/51/86/434385186.db2.gz NBKCYAITIZKNHR-UHFFFAOYSA-N 2 1 315.461 3.116 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC[N@@H+]1C ZINC000366298029 434385478 /nfs/dbraw/zinc/38/54/78/434385478.db2.gz FOLWLTZUZQTNOB-MNEFBYGVSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC[N@H+]1C ZINC000366298029 434385488 /nfs/dbraw/zinc/38/54/88/434385488.db2.gz FOLWLTZUZQTNOB-MNEFBYGVSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)ccc1F ZINC000423369172 434385795 /nfs/dbraw/zinc/38/57/95/434385795.db2.gz FPWZVBQIKZRASW-JFGNBEQYSA-N 2 1 315.230 3.379 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423276415 434335985 /nfs/dbraw/zinc/33/59/85/434335985.db2.gz OKDKKYGOOVEGMN-STQMWFEESA-N 2 1 320.868 3.340 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000423286501 434339068 /nfs/dbraw/zinc/33/90/68/434339068.db2.gz HRUUCXTXGFZYSH-GFCCVEGCSA-N 2 1 317.658 3.417 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423282467 434339111 /nfs/dbraw/zinc/33/91/11/434339111.db2.gz VCRHHSBNRVYRTG-KGLIPLIRSA-N 2 1 315.230 3.366 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423302276 434347986 /nfs/dbraw/zinc/34/79/86/434347986.db2.gz VGHWCFSQVYCSJU-YOEHRIQHSA-N 2 1 320.481 3.385 20 0 DGADMP CCC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000417313894 434350202 /nfs/dbraw/zinc/35/02/02/434350202.db2.gz QJBVEWNMDFVSMQ-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000437852496 434351757 /nfs/dbraw/zinc/35/17/57/434351757.db2.gz QKVDFBCHXWMWES-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423313313 434353724 /nfs/dbraw/zinc/35/37/24/434353724.db2.gz FLERROQRVNIAMU-GJZGRUSLSA-N 2 1 309.251 3.153 20 0 DGADMP CCn1cc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000287423278 434355956 /nfs/dbraw/zinc/35/59/56/434355956.db2.gz SLGHQJUQYRUWDL-BXWFABGCSA-N 2 1 312.461 3.217 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423324411 434359587 /nfs/dbraw/zinc/35/95/87/434359587.db2.gz PHJLLOCYVJXYGM-QMTHXVAHSA-N 2 1 300.418 3.432 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@H]1C[C@@H]1C ZINC000423323356 434360045 /nfs/dbraw/zinc/36/00/45/434360045.db2.gz HFXGAVQZTCHUNZ-BIIJJZAFSA-N 2 1 302.462 3.165 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423321984 434360283 /nfs/dbraw/zinc/36/02/83/434360283.db2.gz GSHPPDIKCCWPLV-MEDUHNTESA-N 2 1 316.367 3.467 20 0 DGADMP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423319501 434360348 /nfs/dbraw/zinc/36/03/48/434360348.db2.gz FNWITRXTWUXLNR-HSALFYBXSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000423317588 434360396 /nfs/dbraw/zinc/36/03/96/434360396.db2.gz BVTGXNMWPSIABB-HNNXBMFYSA-N 2 1 317.477 3.091 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCC1 ZINC000423317117 434360712 /nfs/dbraw/zinc/36/07/12/434360712.db2.gz CGEHRUNWBMXRDA-CYBMUJFWSA-N 2 1 313.214 3.047 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)c(OC)c1 ZINC000295942801 434447163 /nfs/dbraw/zinc/44/71/63/434447163.db2.gz LPLNOTKHHLVCFK-HMQMGEFJSA-N 2 1 318.461 3.370 20 0 DGADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407262 434405667 /nfs/dbraw/zinc/40/56/67/434405667.db2.gz ZPEYZYUXRJNOJK-UJMXGEILSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423407262 434405673 /nfs/dbraw/zinc/40/56/73/434405673.db2.gz ZPEYZYUXRJNOJK-UJMXGEILSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407262 434405683 /nfs/dbraw/zinc/40/56/83/434405683.db2.gz ZPEYZYUXRJNOJK-UJMXGEILSA-N 3 1 313.489 3.042 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc(F)cc1 ZINC000438113089 434415763 /nfs/dbraw/zinc/41/57/63/434415763.db2.gz AQTQMCHNHSFFKK-UTRMSSBJSA-N 2 1 320.452 3.113 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000348632458 434421714 /nfs/dbraw/zinc/42/17/14/434421714.db2.gz HVLQWNVYQWHSGA-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000348632458 434421722 /nfs/dbraw/zinc/42/17/22/434421722.db2.gz HVLQWNVYQWHSGA-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000348632458 434421734 /nfs/dbraw/zinc/42/17/34/434421734.db2.gz HVLQWNVYQWHSGA-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCCC ZINC000423436120 434425404 /nfs/dbraw/zinc/42/54/04/434425404.db2.gz PMBRKXVZYGJQCK-RGPZOAQRSA-N 2 1 318.461 3.133 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423449523 434430369 /nfs/dbraw/zinc/43/03/69/434430369.db2.gz GEUMCQYSDIKCNZ-GSEOLPGOSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423449523 434430378 /nfs/dbraw/zinc/43/03/78/434430378.db2.gz GEUMCQYSDIKCNZ-GSEOLPGOSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncs1 ZINC000423462691 434433540 /nfs/dbraw/zinc/43/35/40/434433540.db2.gz DTUWCAHMLZHOMI-IVMMDQJWSA-N 2 1 319.449 3.326 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423464302 434435393 /nfs/dbraw/zinc/43/53/93/434435393.db2.gz QSISSIJRTAYPLJ-LMCOJAPRSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423464302 434435404 /nfs/dbraw/zinc/43/54/04/434435404.db2.gz QSISSIJRTAYPLJ-LMCOJAPRSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423465288 434437058 /nfs/dbraw/zinc/43/70/58/434437058.db2.gz HPAIEBDLTDYDJD-MTFMMBMASA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423465288 434437069 /nfs/dbraw/zinc/43/70/69/434437069.db2.gz HPAIEBDLTDYDJD-MTFMMBMASA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000397314721 434438427 /nfs/dbraw/zinc/43/84/27/434438427.db2.gz QKCRNIZCMBRGHE-MXWKQRLJSA-N 2 1 317.296 3.316 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000397314721 434438436 /nfs/dbraw/zinc/43/84/36/434438436.db2.gz QKCRNIZCMBRGHE-MXWKQRLJSA-N 2 1 317.296 3.316 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H](C)C1 ZINC000348756885 434474774 /nfs/dbraw/zinc/47/47/74/434474774.db2.gz QZCQDUKFUOURRK-URGYJCLVSA-N 2 1 322.415 3.054 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2cccs2)cc1 ZINC000423529283 434475694 /nfs/dbraw/zinc/47/56/94/434475694.db2.gz XQRVAXKFOFLZBU-YOEHRIQHSA-N 2 1 316.470 3.444 20 0 DGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423530062 434476627 /nfs/dbraw/zinc/47/66/27/434476627.db2.gz PCZKDKNNKQANQV-MOXGXCLJSA-N 2 1 312.432 3.492 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000348756087 434476853 /nfs/dbraw/zinc/47/68/53/434476853.db2.gz LTHOXPKJCJBKKT-IRXDYDNUSA-N 2 1 315.486 3.315 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC000348756087 434476860 /nfs/dbraw/zinc/47/68/60/434476860.db2.gz LTHOXPKJCJBKKT-IRXDYDNUSA-N 2 1 315.486 3.315 20 0 DGADMP C[C@@H]([NH+](C)CC1(C[N@H+](C)[C@H](C)C2(C)CC2)COC1)C1(C)CC1 ZINC000360027755 434484663 /nfs/dbraw/zinc/48/46/63/434484663.db2.gz OHTWATWPXLOWBC-HZPDHXFCSA-N 2 1 308.510 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252889 434487179 /nfs/dbraw/zinc/48/71/79/434487179.db2.gz DCSUPLKYNCDDSE-MOPGFXCFSA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252889 434487184 /nfs/dbraw/zinc/48/71/84/434487184.db2.gz DCSUPLKYNCDDSE-MOPGFXCFSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400521499 434487483 /nfs/dbraw/zinc/48/74/83/434487483.db2.gz CXZWRMGNUCDRIE-DFQSSKMNSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844865 434500098 /nfs/dbraw/zinc/50/00/98/434500098.db2.gz UGTGICGRTMTPGO-KBAYOESNSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844865 434500108 /nfs/dbraw/zinc/50/01/08/434500108.db2.gz UGTGICGRTMTPGO-KBAYOESNSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423493899 434453226 /nfs/dbraw/zinc/45/32/26/434453226.db2.gz RGVXFFHUTRIHNO-YJBOKZPZSA-N 2 1 316.445 3.488 20 0 DGADMP CCn1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c2ccccc21 ZINC000404437236 434516617 /nfs/dbraw/zinc/51/66/17/434516617.db2.gz RWEKDNNNOMSSJX-RHSMWYFYSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c2ccccc21 ZINC000404437236 434516625 /nfs/dbraw/zinc/51/66/25/434516625.db2.gz RWEKDNNNOMSSJX-RHSMWYFYSA-N 2 1 300.450 3.006 20 0 DGADMP Cc1ccc(CCC[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000353927502 434527170 /nfs/dbraw/zinc/52/71/70/434527170.db2.gz JLJMGDZIXAZXEJ-QGZVFWFLSA-N 2 1 303.494 3.424 20 0 DGADMP CCOC(=O)c1coc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000353935174 434536439 /nfs/dbraw/zinc/53/64/39/434536439.db2.gz ZADWRWAHMYOSSZ-OAHLLOKOSA-N 2 1 322.449 3.058 20 0 DGADMP CC(C)(C[NH2+]Cc1cc2ccccc2[nH]c1=O)C[NH+]1CCCC1 ZINC000360155287 434537029 /nfs/dbraw/zinc/53/70/29/434537029.db2.gz YOCCTDXCBJHOFX-UHFFFAOYSA-N 2 1 313.445 3.152 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417935859 434553283 /nfs/dbraw/zinc/55/32/83/434553283.db2.gz RPOPTLDSWYSQRB-CRAIPNDOSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2COC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000417945316 434554381 /nfs/dbraw/zinc/55/43/81/434554381.db2.gz DDBFGTIOPZTBTM-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232441 434554497 /nfs/dbraw/zinc/55/44/97/434554497.db2.gz AJDDTUOJZUHBEQ-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232441 434554505 /nfs/dbraw/zinc/55/45/05/434554505.db2.gz AJDDTUOJZUHBEQ-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232441 434554510 /nfs/dbraw/zinc/55/45/10/434554510.db2.gz AJDDTUOJZUHBEQ-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP C[N@@H+](CCOc1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000525517779 295018864 /nfs/dbraw/zinc/01/88/64/295018864.db2.gz DFHXEEFRJRUWBJ-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP C[NH+](CCOc1cccc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000525517779 295018867 /nfs/dbraw/zinc/01/88/67/295018867.db2.gz DFHXEEFRJRUWBJ-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP C[NH+](CCOc1cccc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525517779 295018869 /nfs/dbraw/zinc/01/88/69/295018869.db2.gz DFHXEEFRJRUWBJ-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000525697550 295026765 /nfs/dbraw/zinc/02/67/65/295026765.db2.gz ZNBIJCVXUMBGNT-HOJAQTOUSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000525697550 295026767 /nfs/dbraw/zinc/02/67/67/295026767.db2.gz ZNBIJCVXUMBGNT-HOJAQTOUSA-N 2 1 316.489 3.182 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000089516830 295101983 /nfs/dbraw/zinc/10/19/83/295101983.db2.gz KOMJRMRGGZWUNG-VKJFTORMSA-N 2 1 304.478 3.291 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000527538756 295102558 /nfs/dbraw/zinc/10/25/58/295102558.db2.gz HEYKUMMHIQRQDS-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000527538756 295102559 /nfs/dbraw/zinc/10/25/59/295102559.db2.gz HEYKUMMHIQRQDS-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000527538756 295102561 /nfs/dbraw/zinc/10/25/61/295102561.db2.gz HEYKUMMHIQRQDS-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000527538756 295102562 /nfs/dbraw/zinc/10/25/62/295102562.db2.gz HEYKUMMHIQRQDS-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925368 295151112 /nfs/dbraw/zinc/15/11/12/295151112.db2.gz ARRIZOWRZGCZSW-GUXCAODWSA-N 2 1 300.490 3.500 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527994479 295161676 /nfs/dbraw/zinc/16/16/76/295161676.db2.gz HYJZNZQVAIHQDJ-WFASDCNBSA-N 2 1 303.425 3.230 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000527997910 295162647 /nfs/dbraw/zinc/16/26/47/295162647.db2.gz XKHOQKLRCRNPLL-VLXJIEOASA-N 2 1 317.452 3.476 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccc(F)cc2)OC)[C@@H](C)C1 ZINC000528417582 295211242 /nfs/dbraw/zinc/21/12/42/295211242.db2.gz STZJNSQXSFFRPZ-IPELMVKDSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)[C@@H](C)C1 ZINC000528417582 295211244 /nfs/dbraw/zinc/21/12/44/295211244.db2.gz STZJNSQXSFFRPZ-IPELMVKDSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)[C@@H](C)C1 ZINC000528417582 295211245 /nfs/dbraw/zinc/21/12/45/295211245.db2.gz STZJNSQXSFFRPZ-IPELMVKDSA-N 2 1 322.468 3.045 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1F ZINC000423178300 295221335 /nfs/dbraw/zinc/22/13/35/295221335.db2.gz BSJKLEPUYCQQAB-HLLBOEOZSA-N 2 1 306.425 3.202 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414786213 295234834 /nfs/dbraw/zinc/23/48/34/295234834.db2.gz UHGBWFNVKDTDTR-NXHRZFHOSA-N 2 1 302.462 3.120 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423497368 295239397 /nfs/dbraw/zinc/23/93/97/295239397.db2.gz GVMHXFXISDAQJX-CPUCHLNUSA-N 2 1 320.477 3.303 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000354034426 434587972 /nfs/dbraw/zinc/58/79/72/434587972.db2.gz QYWZKOWWYWABML-INIZCTEOSA-N 2 1 320.339 3.336 20 0 DGADMP Cc1ncsc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459480439 434588185 /nfs/dbraw/zinc/58/81/85/434588185.db2.gz LYJWVDICBCOZQJ-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1F ZINC000423352786 295248157 /nfs/dbraw/zinc/24/81/57/295248157.db2.gz BSJKLEPUYCQQAB-INMHGKMJSA-N 2 1 306.425 3.202 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1)C(C)C ZINC000423959041 434589039 /nfs/dbraw/zinc/58/90/39/434589039.db2.gz RBGXUQUDJDTUIO-KRWDZBQOSA-N 2 1 319.493 3.020 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090718535 295288946 /nfs/dbraw/zinc/28/89/46/295288946.db2.gz VNJZBEDWVFNKOU-VKJFTORMSA-N 2 1 304.478 3.291 20 0 DGADMP CC(C)c1ncc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354099959 434617086 /nfs/dbraw/zinc/61/70/86/434617086.db2.gz INKKMCAZFHTCFH-HNNXBMFYSA-N 2 1 307.507 3.430 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000349145315 434618708 /nfs/dbraw/zinc/61/87/08/434618708.db2.gz DYVMEZZDAPWDKQ-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000349145315 434618714 /nfs/dbraw/zinc/61/87/14/434618714.db2.gz DYVMEZZDAPWDKQ-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349196150 434634922 /nfs/dbraw/zinc/63/49/22/434634922.db2.gz UKCRCYKUOFIZTB-HNNXBMFYSA-N 2 1 307.507 3.430 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[NH+](C3CCCCC3)CC2)c1C ZINC000409447805 434602270 /nfs/dbraw/zinc/60/22/70/434602270.db2.gz UUQPZLPDBIFROY-UHFFFAOYSA-N 2 1 317.477 3.157 20 0 DGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000424320578 434694208 /nfs/dbraw/zinc/69/42/08/434694208.db2.gz ICPILKNJKDGUAL-HUUCEWRRSA-N 2 1 312.498 3.207 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000424317167 434694596 /nfs/dbraw/zinc/69/45/96/434694596.db2.gz DQMBFWCGIBYIRG-CABCVRRESA-N 2 1 312.498 3.064 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000349381495 434700427 /nfs/dbraw/zinc/70/04/27/434700427.db2.gz GPFFVPUSKZHATF-UHFFFAOYSA-N 2 1 301.434 3.285 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000349381495 434700434 /nfs/dbraw/zinc/70/04/34/434700434.db2.gz GPFFVPUSKZHATF-UHFFFAOYSA-N 2 1 301.434 3.285 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000459753295 434698031 /nfs/dbraw/zinc/69/80/31/434698031.db2.gz IXCSVFZRMQELRT-HZSPNIEDSA-N 2 1 305.491 3.188 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000459753295 434698037 /nfs/dbraw/zinc/69/80/37/434698037.db2.gz IXCSVFZRMQELRT-HZSPNIEDSA-N 2 1 305.491 3.188 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@@H]1C ZINC000354156715 434646342 /nfs/dbraw/zinc/64/63/42/434646342.db2.gz BGURULANXQNSHZ-OREBXVKISA-N 2 1 324.509 3.064 20 0 DGADMP C[NH+]1CCC([N@H+](CC[C@@H]2CCOC2)Cc2ccccc2)CC1 ZINC000349242467 434647771 /nfs/dbraw/zinc/64/77/71/434647771.db2.gz LWFPDPCCMCCASI-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC([N@@H+](CC[C@@H]2CCOC2)Cc2ccccc2)CC1 ZINC000349242467 434647775 /nfs/dbraw/zinc/64/77/75/434647775.db2.gz LWFPDPCCMCCASI-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439828696 434652073 /nfs/dbraw/zinc/65/20/73/434652073.db2.gz PQFOTHDWJVKIPW-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424260867 434670276 /nfs/dbraw/zinc/67/02/76/434670276.db2.gz BPQHSWPGOJYBIK-MRXNPFEDSA-N 2 1 312.442 3.222 20 0 DGADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000360702891 434673938 /nfs/dbraw/zinc/67/39/38/434673938.db2.gz KWUMMWNDJHKFOF-HOJAQTOUSA-N 2 1 315.505 3.062 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226055 434677241 /nfs/dbraw/zinc/67/72/41/434677241.db2.gz UYPCEFQUDFXYCJ-HOCLYGCPSA-N 2 1 312.461 3.243 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424285608 434677718 /nfs/dbraw/zinc/67/77/18/434677718.db2.gz DZANUNHWAYRLLG-DSLXNQLJSA-N 2 1 308.510 3.149 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289012 434680692 /nfs/dbraw/zinc/68/06/92/434680692.db2.gz LFSCUUURCIEOGQ-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc2oc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cc2c1 ZINC000459730044 434680813 /nfs/dbraw/zinc/68/08/13/434680813.db2.gz JSPHDDSISFZQBM-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298952 434682897 /nfs/dbraw/zinc/68/28/97/434682897.db2.gz UWFOVTJCEWUONN-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000459731277 434683849 /nfs/dbraw/zinc/68/38/49/434683849.db2.gz LEHJYCMXBGCASW-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP [NH3+]C[C@@H](C[NH2+]C1(c2nccs2)CCCC1)c1ccc(F)cc1 ZINC000424299355 434683921 /nfs/dbraw/zinc/68/39/21/434683921.db2.gz JBMRSDRIBMUOGC-AWEZNQCLSA-N 2 1 319.449 3.384 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424301705 434685190 /nfs/dbraw/zinc/68/51/90/434685190.db2.gz YBHOHHMSXRVHSU-KBPBESRZSA-N 2 1 323.506 3.205 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1O ZINC000360745520 434685538 /nfs/dbraw/zinc/68/55/38/434685538.db2.gz BVXRYPGQEVXGGH-UONOGXRCSA-N 2 1 324.852 3.161 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)c1O ZINC000360745520 434685544 /nfs/dbraw/zinc/68/55/44/434685544.db2.gz BVXRYPGQEVXGGH-UONOGXRCSA-N 2 1 324.852 3.161 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000349414526 434709042 /nfs/dbraw/zinc/70/90/42/434709042.db2.gz GSOUEHDBWCRSKZ-UHFFFAOYSA-N 2 1 318.440 3.380 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000349414526 434709046 /nfs/dbraw/zinc/70/90/46/434709046.db2.gz GSOUEHDBWCRSKZ-UHFFFAOYSA-N 2 1 318.440 3.380 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000371465341 434709783 /nfs/dbraw/zinc/70/97/83/434709783.db2.gz CCTSSAIWQCRONT-SLFFLAALSA-N 2 1 316.489 3.295 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000459772536 434712764 /nfs/dbraw/zinc/71/27/64/434712764.db2.gz IPBBSHOHUHHNPZ-QGZVFWFLSA-N 2 1 313.445 3.087 20 0 DGADMP C[C@H]1CC2(C[N@H+]1C/C=C/c1ccc(F)cc1F)CC[NH2+]CC2 ZINC000424374313 434713008 /nfs/dbraw/zinc/71/30/08/434713008.db2.gz IEPHGHVXJQWRRN-HSWBROFVSA-N 2 1 306.400 3.442 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccsc1)CC[NH2+]CC2 ZINC000424368513 434713148 /nfs/dbraw/zinc/71/31/48/434713148.db2.gz AESYYHXBBRNVDV-ZDUSSCGKSA-N 2 1 316.474 3.102 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccsc1)CC[NH2+]CC2 ZINC000424368512 434713700 /nfs/dbraw/zinc/71/37/00/434713700.db2.gz AESYYHXBBRNVDV-CYBMUJFWSA-N 2 1 316.474 3.102 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C/C=C/c1ccc(F)cc1F)CC[NH2+]CC2 ZINC000424374312 434714061 /nfs/dbraw/zinc/71/40/61/434714061.db2.gz IEPHGHVXJQWRRN-BAABZTOOSA-N 2 1 306.400 3.442 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424370482 434714462 /nfs/dbraw/zinc/71/44/62/434714462.db2.gz CPUZSSCMORNXLL-HZPDHXFCSA-N 2 1 306.450 3.234 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)cc3c1OCC3)CC[NH2+]CC2 ZINC000424375116 434714995 /nfs/dbraw/zinc/71/49/95/434714995.db2.gz JKENAFXTGFUYAV-ZDUSSCGKSA-N 2 1 320.864 3.239 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OCC ZINC000424388658 434716659 /nfs/dbraw/zinc/71/66/59/434716659.db2.gz ZOAKRHJJCAFTLD-HZPDHXFCSA-N 2 1 306.450 3.234 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459783497 434718887 /nfs/dbraw/zinc/71/88/87/434718887.db2.gz NICJMUZILODVMA-BEFAXECRSA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000459793834 434722057 /nfs/dbraw/zinc/72/20/57/434722057.db2.gz TZGHFFONBVWUTK-JKSUJKDBSA-N 2 1 322.468 3.334 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000459791890 434722561 /nfs/dbraw/zinc/72/25/61/434722561.db2.gz SBUBKTYBHSJQJZ-CVEARBPZSA-N 2 1 318.461 3.230 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459799652 434725495 /nfs/dbraw/zinc/72/54/95/434725495.db2.gz YUHUXZMMEOFJJB-BZSNNMDCSA-N 2 1 324.509 3.210 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411131611 434730070 /nfs/dbraw/zinc/73/00/70/434730070.db2.gz XEXFOOODDNWLSP-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CO1 ZINC000411147984 434733167 /nfs/dbraw/zinc/73/31/67/434733167.db2.gz QSXBMTKECFEIDF-DLBZAZTESA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360933281 434735827 /nfs/dbraw/zinc/73/58/27/434735827.db2.gz LXVXAYWPYMBYCN-IZBJGVDFSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360933281 434735836 /nfs/dbraw/zinc/73/58/36/434735836.db2.gz LXVXAYWPYMBYCN-IZBJGVDFSA-N 2 1 316.489 3.444 20 0 DGADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCCCC1 ZINC000411183809 434739744 /nfs/dbraw/zinc/73/97/44/434739744.db2.gz DEQVMJXOUCWVTJ-VQTJNVASSA-N 2 1 314.473 3.426 20 0 DGADMP CC[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OC ZINC000419274175 434760635 /nfs/dbraw/zinc/76/06/35/434760635.db2.gz CGBRWXADUWEENG-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCOC1 ZINC000411331569 434762764 /nfs/dbraw/zinc/76/27/64/434762764.db2.gz MPJPDBSSAMYZOG-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCOC1 ZINC000411331571 434763309 /nfs/dbraw/zinc/76/33/09/434763309.db2.gz MPJPDBSSAMYZOG-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441458573 434764135 /nfs/dbraw/zinc/76/41/35/434764135.db2.gz OYWIWZQWUGFJCH-CEXWTWQISA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441458573 434764141 /nfs/dbraw/zinc/76/41/41/434764141.db2.gz OYWIWZQWUGFJCH-CEXWTWQISA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1C[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442868998 434773454 /nfs/dbraw/zinc/77/34/54/434773454.db2.gz AGDUCCATOWDSLX-QZTJIDSGSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411405443 434775954 /nfs/dbraw/zinc/77/59/54/434775954.db2.gz ZJQMIKXPHDREFH-YLJYHZDGSA-N 2 1 316.489 3.408 20 0 DGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000453105086 434802766 /nfs/dbraw/zinc/80/27/66/434802766.db2.gz GPOHPVTTZUNDLY-OAHLLOKOSA-N 2 1 300.450 3.206 20 0 DGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000453105086 434802770 /nfs/dbraw/zinc/80/27/70/434802770.db2.gz GPOHPVTTZUNDLY-OAHLLOKOSA-N 2 1 300.450 3.206 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000361108162 434796409 /nfs/dbraw/zinc/79/64/09/434796409.db2.gz JPCVUDYQPKKNNW-AEFFLSMTSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000361108162 434796414 /nfs/dbraw/zinc/79/64/14/434796414.db2.gz JPCVUDYQPKKNNW-AEFFLSMTSA-N 2 1 304.478 3.474 20 0 DGADMP C([NH2+][C@@H](C1CC1)C1CCCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000453089659 434796787 /nfs/dbraw/zinc/79/67/87/434796787.db2.gz BKASRKOCROUMRM-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412067819 434864078 /nfs/dbraw/zinc/86/40/78/434864078.db2.gz MGEMWHXBJHFXDT-INIZCTEOSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412067819 434864079 /nfs/dbraw/zinc/86/40/79/434864079.db2.gz MGEMWHXBJHFXDT-INIZCTEOSA-N 2 1 321.465 3.025 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000411607724 434805342 /nfs/dbraw/zinc/80/53/42/434805342.db2.gz JYCZZZIKNNAWHI-IBGZPJMESA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000453119860 434808056 /nfs/dbraw/zinc/80/80/56/434808056.db2.gz LDEORIHRAZKCPW-IRXDYDNUSA-N 2 1 324.472 3.223 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453132247 434810779 /nfs/dbraw/zinc/81/07/79/434810779.db2.gz XWKMCRRRGWMVPZ-NMLBUPMWSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)nc(C)[nH+]1 ZINC000453143099 434815917 /nfs/dbraw/zinc/81/59/17/434815917.db2.gz UYXMURIAXYMZEL-LJQANCHMSA-N 2 1 314.477 3.231 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[C@H]1O ZINC000411723167 434822079 /nfs/dbraw/zinc/82/20/79/434822079.db2.gz WTBOEOYLVWCRSM-RTBURBONSA-N 2 1 302.462 3.018 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000361176957 434822192 /nfs/dbraw/zinc/82/21/92/434822192.db2.gz YTVLSBKXDAUNQC-HXUWFJFHSA-N 2 1 317.521 3.391 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000453171497 434823053 /nfs/dbraw/zinc/82/30/53/434823053.db2.gz LZVLCGUSGKQKLV-BQFCYCMXSA-N 2 1 312.461 3.361 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453209676 434829805 /nfs/dbraw/zinc/82/98/05/434829805.db2.gz ZEROHJRKGFUUMT-GUDVDZBRSA-N 2 1 316.489 3.180 20 0 DGADMP C[NH+](C)CC(C)(C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411813100 434830475 /nfs/dbraw/zinc/83/04/75/434830475.db2.gz CGOWXFKCUIEFII-UHFFFAOYSA-N 2 1 303.494 3.102 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250095 434883894 /nfs/dbraw/zinc/88/38/94/434883894.db2.gz YQKCMFGFJQHNBU-PMACEKPBSA-N 3 1 309.457 3.070 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250095 434883898 /nfs/dbraw/zinc/88/38/98/434883898.db2.gz YQKCMFGFJQHNBU-PMACEKPBSA-N 3 1 309.457 3.070 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000521460950 434885574 /nfs/dbraw/zinc/88/55/74/434885574.db2.gz QGTGZAHURAMIKY-YQQAZPJKSA-N 2 1 317.477 3.394 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335029 434892563 /nfs/dbraw/zinc/89/25/63/434892563.db2.gz DGPQTNPPJKYSDI-ZWNOBZJWSA-N 2 1 303.233 3.184 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335029 434892566 /nfs/dbraw/zinc/89/25/66/434892566.db2.gz DGPQTNPPJKYSDI-ZWNOBZJWSA-N 2 1 303.233 3.184 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)CC(C)C ZINC000554049797 434910478 /nfs/dbraw/zinc/91/04/78/434910478.db2.gz VJUQJSMIBZWYDW-QLFBSQMISA-N 2 1 324.431 3.442 20 0 DGADMP CC(C)c1ccc([C@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119452 434870636 /nfs/dbraw/zinc/87/06/36/434870636.db2.gz FLSHFQHQAUSSGA-WOJBJXKFSA-N 2 1 316.489 3.402 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638063799 434945331 /nfs/dbraw/zinc/94/53/31/434945331.db2.gz PXJZJQOOKSFRIE-YOEHRIQHSA-N 2 1 313.445 3.047 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000554803330 434946393 /nfs/dbraw/zinc/94/63/93/434946393.db2.gz DWKSSYKMPAXNDN-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000638076819 434947462 /nfs/dbraw/zinc/94/74/62/434947462.db2.gz NGZUEGRWMJCMFD-OAHLLOKOSA-N 2 1 300.368 3.175 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC000638104348 434953794 /nfs/dbraw/zinc/95/37/94/434953794.db2.gz HRRCPCWFZCDGLI-KRWDZBQOSA-N 2 1 310.445 3.080 20 0 DGADMP c1cnc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC000638104348 434953797 /nfs/dbraw/zinc/95/37/97/434953797.db2.gz HRRCPCWFZCDGLI-KRWDZBQOSA-N 2 1 310.445 3.080 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638122607 434958354 /nfs/dbraw/zinc/95/83/54/434958354.db2.gz LIEKDPYTDKSVCP-MOPGFXCFSA-N 2 1 315.505 3.177 20 0 DGADMP COc1ccc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000524156263 434972016 /nfs/dbraw/zinc/97/20/16/434972016.db2.gz BELSRPXCKKPKLW-UHFFFAOYSA-N 2 1 320.477 3.126 20 0 DGADMP c1cnc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2n1 ZINC000638181791 434972434 /nfs/dbraw/zinc/97/24/34/434972434.db2.gz ODERSGRAPLOLEM-JXFKEZNVSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2n1 ZINC000638181791 434972437 /nfs/dbraw/zinc/97/24/37/434972437.db2.gz ODERSGRAPLOLEM-JXFKEZNVSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2n1 ZINC000638181791 434972440 /nfs/dbraw/zinc/97/24/40/434972440.db2.gz ODERSGRAPLOLEM-JXFKEZNVSA-N 2 1 322.456 3.079 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCN(C)c2ccccc2)CC1 ZINC000573839383 434930839 /nfs/dbraw/zinc/93/08/39/434930839.db2.gz WKVRXDREUYWUCL-UHFFFAOYSA-N 2 1 303.494 3.318 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638376027 435017814 /nfs/dbraw/zinc/01/78/14/435017814.db2.gz GSBJYCNCYNDVQT-CHWSQXEVSA-N 2 1 314.260 3.292 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638376027 435017817 /nfs/dbraw/zinc/01/78/17/435017817.db2.gz GSBJYCNCYNDVQT-CHWSQXEVSA-N 2 1 314.260 3.292 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638377328 435017825 /nfs/dbraw/zinc/01/78/25/435017825.db2.gz HMDHXFWVQQTYBQ-QAPCUYQASA-N 2 1 304.503 3.443 20 0 DGADMP COCC1(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC000638380153 435019731 /nfs/dbraw/zinc/01/97/31/435019731.db2.gz VLENYHMZLBPCKX-UHFFFAOYSA-N 2 1 316.489 3.366 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408423 435023897 /nfs/dbraw/zinc/02/38/97/435023897.db2.gz HGOSZNDIYYYZQG-WSTZPKSXSA-N 2 1 313.489 3.038 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408423 435023902 /nfs/dbraw/zinc/02/39/02/435023902.db2.gz HGOSZNDIYYYZQG-WSTZPKSXSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408423 435023906 /nfs/dbraw/zinc/02/39/06/435023906.db2.gz HGOSZNDIYYYZQG-WSTZPKSXSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408423 435023908 /nfs/dbraw/zinc/02/39/08/435023908.db2.gz HGOSZNDIYYYZQG-WSTZPKSXSA-N 2 1 313.489 3.038 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638411471 435025558 /nfs/dbraw/zinc/02/55/58/435025558.db2.gz ISVXYECHLNAYQI-NSHGMRRFSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638411471 435025561 /nfs/dbraw/zinc/02/55/61/435025561.db2.gz ISVXYECHLNAYQI-NSHGMRRFSA-N 2 1 316.489 3.351 20 0 DGADMP CCC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)OC ZINC000638418576 435027184 /nfs/dbraw/zinc/02/71/84/435027184.db2.gz BUYATDVHWCHOBN-OAHLLOKOSA-N 2 1 305.397 3.225 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638447221 435031801 /nfs/dbraw/zinc/03/18/01/435031801.db2.gz HREDNYWJGNPRFY-JKSUJKDBSA-N 2 1 310.507 3.365 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638447221 435031803 /nfs/dbraw/zinc/03/18/03/435031803.db2.gz HREDNYWJGNPRFY-JKSUJKDBSA-N 2 1 310.507 3.365 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000555534245 434976812 /nfs/dbraw/zinc/97/68/12/434976812.db2.gz QGTRHXCHUWEULQ-RCCFBDPRSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3Cl)CCCO1 ZINC000555760390 434986142 /nfs/dbraw/zinc/98/61/42/434986142.db2.gz ZWONCVRGIKULRV-KDOFPFPSSA-N 2 1 322.880 3.418 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000556195490 434999180 /nfs/dbraw/zinc/99/91/80/434999180.db2.gz SSTHSMQBUKEZBT-LJQANCHMSA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)[NH+](C)CC1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000556195490 434999181 /nfs/dbraw/zinc/99/91/81/434999181.db2.gz SSTHSMQBUKEZBT-LJQANCHMSA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)[NH+](C)CC1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000556195490 434999183 /nfs/dbraw/zinc/99/91/83/434999183.db2.gz SSTHSMQBUKEZBT-LJQANCHMSA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000556195490 434999186 /nfs/dbraw/zinc/99/91/86/434999186.db2.gz SSTHSMQBUKEZBT-LJQANCHMSA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000556195490 434999189 /nfs/dbraw/zinc/99/91/89/434999189.db2.gz SSTHSMQBUKEZBT-LJQANCHMSA-N 2 1 309.542 3.302 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638301674 435000651 /nfs/dbraw/zinc/00/06/51/435000651.db2.gz CGTRTTSINUOTAU-RTBURBONSA-N 2 1 315.505 3.367 20 0 DGADMP c1cnn(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638346660 435010931 /nfs/dbraw/zinc/01/09/31/435010931.db2.gz YXAUZNKNBKUVOO-AZUAARDMSA-N 2 1 324.472 3.231 20 0 DGADMP c1cnn(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638346660 435010936 /nfs/dbraw/zinc/01/09/36/435010936.db2.gz YXAUZNKNBKUVOO-AZUAARDMSA-N 2 1 324.472 3.231 20 0 DGADMP C[C@@]1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000638621726 435060312 /nfs/dbraw/zinc/06/03/12/435060312.db2.gz YRVBPLMYCSSYKG-AABGKKOBSA-N 2 1 316.489 3.007 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@H]3CC3(F)F)CCCC2)CC1 ZINC000638636774 435061690 /nfs/dbraw/zinc/06/16/90/435061690.db2.gz GTSPPDOCPWZAPF-UKRRQHHQSA-N 2 1 316.436 3.043 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@@H]3CC3(F)F)CCCC2)CC1 ZINC000638636775 435062528 /nfs/dbraw/zinc/06/25/28/435062528.db2.gz GTSPPDOCPWZAPF-ZFWWWQNUSA-N 2 1 316.436 3.043 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638666472 435065817 /nfs/dbraw/zinc/06/58/17/435065817.db2.gz KUVZEEDFNCLANR-LMMKCTJWSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638666472 435065821 /nfs/dbraw/zinc/06/58/21/435065821.db2.gz KUVZEEDFNCLANR-LMMKCTJWSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638693492 435071375 /nfs/dbraw/zinc/07/13/75/435071375.db2.gz UJCCLINTOLYCKO-MJGOQNOKSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638693492 435071377 /nfs/dbraw/zinc/07/13/77/435071377.db2.gz UJCCLINTOLYCKO-MJGOQNOKSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638693490 435071750 /nfs/dbraw/zinc/07/17/50/435071750.db2.gz UJCCLINTOLYCKO-HKUYNNGSSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638693490 435071753 /nfs/dbraw/zinc/07/17/53/435071753.db2.gz UJCCLINTOLYCKO-HKUYNNGSSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638716446 435075130 /nfs/dbraw/zinc/07/51/30/435075130.db2.gz AWYXSKVBCYNCPL-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638716446 435075134 /nfs/dbraw/zinc/07/51/34/435075134.db2.gz AWYXSKVBCYNCPL-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP c1nc2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc2[nH]1 ZINC000531335338 435086308 /nfs/dbraw/zinc/08/63/08/435086308.db2.gz TTWHSSSLHRXGDF-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000558416437 435089583 /nfs/dbraw/zinc/08/95/83/435089583.db2.gz SOYMNVPINRQFHS-UHFFFAOYSA-N 2 1 322.456 3.409 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000558416437 435089587 /nfs/dbraw/zinc/08/95/87/435089587.db2.gz SOYMNVPINRQFHS-UHFFFAOYSA-N 2 1 322.456 3.409 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)[C@@H](C)Cc1ccsc1 ZINC000558417398 435089737 /nfs/dbraw/zinc/08/97/37/435089737.db2.gz BBCUCYNWGYTUCK-WMZOPIPTSA-N 2 1 323.550 3.027 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000638566304 435052394 /nfs/dbraw/zinc/05/23/94/435052394.db2.gz GXJSXZJQJNEVNX-INIZCTEOSA-N 2 1 312.461 3.148 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000638566304 435052397 /nfs/dbraw/zinc/05/23/97/435052397.db2.gz GXJSXZJQJNEVNX-INIZCTEOSA-N 2 1 312.461 3.148 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000638566305 435052783 /nfs/dbraw/zinc/05/27/83/435052783.db2.gz GXJSXZJQJNEVNX-MRXNPFEDSA-N 2 1 312.461 3.148 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000638566305 435052786 /nfs/dbraw/zinc/05/27/86/435052786.db2.gz GXJSXZJQJNEVNX-MRXNPFEDSA-N 2 1 312.461 3.148 20 0 DGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638588567 435056532 /nfs/dbraw/zinc/05/65/32/435056532.db2.gz IUMFDMLUGNEWTM-RLLQIKCJSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638588567 435056534 /nfs/dbraw/zinc/05/65/34/435056534.db2.gz IUMFDMLUGNEWTM-RLLQIKCJSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188670 435146409 /nfs/dbraw/zinc/14/64/09/435146409.db2.gz XVQNRNFTQQZNOE-IKGGRYGDSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187489 435146770 /nfs/dbraw/zinc/14/67/70/435146770.db2.gz BSUCBADDKVMLBZ-DLBZAZTESA-N 2 1 323.550 3.451 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474456670 435146978 /nfs/dbraw/zinc/14/69/78/435146978.db2.gz FNBZWNGUVOWAGF-RTBURBONSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814543 435095043 /nfs/dbraw/zinc/09/50/43/435095043.db2.gz DJVALGZZCKPZAW-FNHZYXHNSA-N 2 1 310.445 3.428 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814543 435095044 /nfs/dbraw/zinc/09/50/44/435095044.db2.gz DJVALGZZCKPZAW-FNHZYXHNSA-N 2 1 310.445 3.428 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000578716633 435104124 /nfs/dbraw/zinc/10/41/24/435104124.db2.gz QGEJKRCCYWQRII-AWEZNQCLSA-N 2 1 304.482 3.477 20 0 DGADMP C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914442 435116408 /nfs/dbraw/zinc/11/64/08/435116408.db2.gz AIZXNEWWKPUXKB-HSFDUWRESA-N 2 1 324.472 3.087 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467336557 435118313 /nfs/dbraw/zinc/11/83/13/435118313.db2.gz XHMBDKUQSJZLPG-IAGOWNOFSA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578997512 435125658 /nfs/dbraw/zinc/12/56/58/435125658.db2.gz HAEGMMSESHBSMC-QWFCFKBJSA-N 2 1 318.505 3.109 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000468963220 435129039 /nfs/dbraw/zinc/12/90/39/435129039.db2.gz MHNHILZUCWVTSP-GBESFXJTSA-N 2 1 309.542 3.063 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000531945373 435129542 /nfs/dbraw/zinc/12/95/42/435129542.db2.gz LXINIOLFPZBVQB-HXUWFJFHSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000531945373 435129545 /nfs/dbraw/zinc/12/95/45/435129545.db2.gz LXINIOLFPZBVQB-HXUWFJFHSA-N 2 1 316.489 3.230 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639038103 435132959 /nfs/dbraw/zinc/13/29/59/435132959.db2.gz OSWUURMUWVIDEN-POAQFYNOSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639038103 435132964 /nfs/dbraw/zinc/13/29/64/435132964.db2.gz OSWUURMUWVIDEN-POAQFYNOSA-N 2 1 314.473 3.371 20 0 DGADMP COc1cc(F)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000560103394 435150488 /nfs/dbraw/zinc/15/04/88/435150488.db2.gz OOWGWOVHHAFEKE-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP OC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639059803 435141525 /nfs/dbraw/zinc/14/15/25/435141525.db2.gz BYLKHQQTXJAOBQ-YTQPIUFNSA-N 2 1 314.473 3.248 20 0 DGADMP OC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639059803 435141529 /nfs/dbraw/zinc/14/15/29/435141529.db2.gz BYLKHQQTXJAOBQ-YTQPIUFNSA-N 2 1 314.473 3.248 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000474065165 435143734 /nfs/dbraw/zinc/14/37/34/435143734.db2.gz IQDKRSYFSAHKTR-KUHUBIRLSA-N 2 1 314.473 3.492 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475271369 435184841 /nfs/dbraw/zinc/18/48/41/435184841.db2.gz WNGCWSITMLUDKE-UFYCRDLUSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000493946285 435192823 /nfs/dbraw/zinc/19/28/23/435192823.db2.gz ZGXINTPKUZHSIB-FUHWJXTLSA-N 2 1 302.462 3.234 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000494644199 435196948 /nfs/dbraw/zinc/19/69/48/435196948.db2.gz ZMYVMWDZENOVFS-IEBWSBKVSA-N 2 1 316.489 3.338 20 0 DGADMP C[C@H]1CC[N@H+](CCN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240588 435152467 /nfs/dbraw/zinc/15/24/67/435152467.db2.gz DIBVWGLCUZPKFK-RDJZCZTQSA-N 2 1 300.446 3.364 20 0 DGADMP C[C@H]1CC[N@@H+](CCN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240588 435152470 /nfs/dbraw/zinc/15/24/70/435152470.db2.gz DIBVWGLCUZPKFK-RDJZCZTQSA-N 2 1 300.446 3.364 20 0 DGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474721197 435157888 /nfs/dbraw/zinc/15/78/88/435157888.db2.gz SZSRTZURRFAPGX-WOJBJXKFSA-N 2 1 323.569 3.455 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC000639118186 435162017 /nfs/dbraw/zinc/16/20/17/435162017.db2.gz OJVARPQPBVHBLO-MOPGFXCFSA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591841 435167546 /nfs/dbraw/zinc/16/75/46/435167546.db2.gz QGEAHQYEGQQQDE-RBUKOAKNSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591841 435167548 /nfs/dbraw/zinc/16/75/48/435167548.db2.gz QGEAHQYEGQQQDE-RBUKOAKNSA-N 2 1 316.489 3.180 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CCOCC1 ZINC000532510679 435171175 /nfs/dbraw/zinc/17/11/75/435171175.db2.gz HQIZFWSKFTVKLW-SFHVURJKSA-N 2 1 302.462 3.228 20 0 DGADMP CCOCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560532146 435175753 /nfs/dbraw/zinc/17/57/53/435175753.db2.gz OYESBHNXLKYCQZ-SLFFLAALSA-N 2 1 316.489 3.303 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639154666 435177227 /nfs/dbraw/zinc/17/72/27/435177227.db2.gz NGOWLEKOHSKCPQ-CQSZACIVSA-N 2 1 322.518 3.294 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000532640054 435182374 /nfs/dbraw/zinc/18/23/74/435182374.db2.gz KHONEPUYJXSNGP-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000639176441 435183044 /nfs/dbraw/zinc/18/30/44/435183044.db2.gz GRBBCOMASLDGML-HNNXBMFYSA-N 2 1 315.465 3.326 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000639176441 435183049 /nfs/dbraw/zinc/18/30/49/435183049.db2.gz GRBBCOMASLDGML-HNNXBMFYSA-N 2 1 315.465 3.326 20 0 DGADMP CC(C)O[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000639259968 435216668 /nfs/dbraw/zinc/21/66/68/435216668.db2.gz YLRLJDADDDFWQN-IEBWSBKVSA-N 2 1 304.478 3.474 20 0 DGADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639273636 435223242 /nfs/dbraw/zinc/22/32/42/435223242.db2.gz XNQWCWGSGMMJKC-PKOBYXMFSA-N 2 1 313.489 3.038 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000475674528 435208089 /nfs/dbraw/zinc/20/80/89/435208089.db2.gz YIPFNHCBCNPDOK-RZDIXWSQSA-N 2 1 322.880 3.286 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639238359 435208574 /nfs/dbraw/zinc/20/85/74/435208574.db2.gz KIQKGKHXQLZFPY-HNJRGHQBSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639238359 435208576 /nfs/dbraw/zinc/20/85/76/435208576.db2.gz KIQKGKHXQLZFPY-HNJRGHQBSA-N 2 1 314.473 3.105 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000639251909 435212162 /nfs/dbraw/zinc/21/21/62/435212162.db2.gz LVUBPVIZAUKUFZ-HKUYNNGSSA-N 2 1 314.473 3.371 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000639251909 435212168 /nfs/dbraw/zinc/21/21/68/435212168.db2.gz LVUBPVIZAUKUFZ-HKUYNNGSSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639308973 435237712 /nfs/dbraw/zinc/23/77/12/435237712.db2.gz ISVXYECHLNAYQI-BJLQDIEVSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639308973 435237716 /nfs/dbraw/zinc/23/77/16/435237716.db2.gz ISVXYECHLNAYQI-BJLQDIEVSA-N 2 1 316.489 3.351 20 0 DGADMP OC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639305992 435237896 /nfs/dbraw/zinc/23/78/96/435237896.db2.gz ZFBTZVYTDOVBBM-HOJAQTOUSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639305992 435237902 /nfs/dbraw/zinc/23/79/02/435237902.db2.gz ZFBTZVYTDOVBBM-HOJAQTOUSA-N 2 1 314.473 3.105 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000639306173 435239568 /nfs/dbraw/zinc/23/95/68/435239568.db2.gz JQEMDQOGDVKDQD-NZSAHSFTSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000639306173 435239572 /nfs/dbraw/zinc/23/95/72/435239572.db2.gz JQEMDQOGDVKDQD-NZSAHSFTSA-N 2 1 300.446 3.123 20 0 DGADMP Cc1nc(CN[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[nH]c1C ZINC000583883262 435251799 /nfs/dbraw/zinc/25/17/99/435251799.db2.gz LMYDAOLCJZHOLP-GOSISDBHSA-N 2 1 314.477 3.273 20 0 DGADMP CC(C)O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000639347048 435256635 /nfs/dbraw/zinc/25/66/35/435256635.db2.gz LVQQXZMKFCGXLB-IEBWSBKVSA-N 2 1 304.478 3.474 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639355747 435260673 /nfs/dbraw/zinc/26/06/73/435260673.db2.gz BUMGAUIGFKCPTE-BEKAIBRUSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639355747 435260678 /nfs/dbraw/zinc/26/06/78/435260678.db2.gz BUMGAUIGFKCPTE-BEKAIBRUSA-N 2 1 314.473 3.369 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639362881 435265138 /nfs/dbraw/zinc/26/51/38/435265138.db2.gz LLNWIKRHCDULAU-QWFCFKBJSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639362881 435265142 /nfs/dbraw/zinc/26/51/42/435265142.db2.gz LLNWIKRHCDULAU-QWFCFKBJSA-N 2 1 316.489 3.495 20 0 DGADMP Clc1ccccc1SCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000584053960 435270391 /nfs/dbraw/zinc/27/03/91/435270391.db2.gz XEARFRVPSDQFFW-ZIAGYGMSSA-N 2 1 310.894 3.364 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000639378572 435274742 /nfs/dbraw/zinc/27/47/42/435274742.db2.gz IRXVIEDBVDYKDP-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000639380534 435276391 /nfs/dbraw/zinc/27/63/91/435276391.db2.gz ZXQXGLVBGATAFQ-UHFFFAOYSA-N 2 1 318.490 3.240 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000643251115 435284857 /nfs/dbraw/zinc/28/48/57/435284857.db2.gz LUSFPOJOTFBVBW-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP CC(C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000643251115 435284859 /nfs/dbraw/zinc/28/48/59/435284859.db2.gz LUSFPOJOTFBVBW-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639396421 435285271 /nfs/dbraw/zinc/28/52/71/435285271.db2.gz GTGRSIIKXAXUCJ-IJXRJRJASA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639396421 435285277 /nfs/dbraw/zinc/28/52/77/435285277.db2.gz GTGRSIIKXAXUCJ-IJXRJRJASA-N 2 1 314.473 3.248 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000477952406 435286511 /nfs/dbraw/zinc/28/65/11/435286511.db2.gz ZSKKPEMMPRSUMH-UHFFFAOYSA-N 3 1 321.553 3.495 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648429297 435296036 /nfs/dbraw/zinc/29/60/36/435296036.db2.gz RLZFJDADSAQRPP-UHFFFAOYSA-N 2 1 304.781 3.166 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534974498 435307813 /nfs/dbraw/zinc/30/78/13/435307813.db2.gz SNDIXNQUHQZFCE-QGZVFWFLSA-N 2 1 310.869 3.275 20 0 DGADMP Clc1ccc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000567412397 435314796 /nfs/dbraw/zinc/31/47/96/435314796.db2.gz BXAPBDRRAREQRK-QGZVFWFLSA-N 2 1 308.853 3.279 20 0 DGADMP Clc1ccc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000567412397 435314800 /nfs/dbraw/zinc/31/48/00/435314800.db2.gz BXAPBDRRAREQRK-QGZVFWFLSA-N 2 1 308.853 3.279 20 0 DGADMP CC[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457564 435329140 /nfs/dbraw/zinc/32/91/40/435329140.db2.gz MIRFCIURLKIXKB-UFYCRDLUSA-N 2 1 315.505 3.019 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000643463364 435329239 /nfs/dbraw/zinc/32/92/39/435329239.db2.gz MRDNNFSJVZOZHV-ZWKOTPCHSA-N 2 1 316.493 3.212 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000643461181 435330750 /nfs/dbraw/zinc/33/07/50/435330750.db2.gz MRUIJIYQOZJFFI-RRQGHBQHSA-N 2 1 305.466 3.200 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cs2)cc1 ZINC000643458851 435331167 /nfs/dbraw/zinc/33/11/67/435331167.db2.gz DTHKNGXYMOTDLI-RYUDHWBXSA-N 2 1 305.447 3.034 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000567582329 435331449 /nfs/dbraw/zinc/33/14/49/435331449.db2.gz BINWXVCPBATYDT-RLLQIKCJSA-N 2 1 316.489 3.005 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000567582329 435331452 /nfs/dbraw/zinc/33/14/52/435331452.db2.gz BINWXVCPBATYDT-RLLQIKCJSA-N 2 1 316.489 3.005 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643472456 435332032 /nfs/dbraw/zinc/33/20/32/435332032.db2.gz ABRLIJHJQVQEOI-GDBMZVCRSA-N 2 1 305.466 3.107 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480196 435334765 /nfs/dbraw/zinc/33/47/65/435334765.db2.gz FAOUOQQPRHMFSJ-CZKCSJLSSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480196 435334771 /nfs/dbraw/zinc/33/47/71/435334771.db2.gz FAOUOQQPRHMFSJ-CZKCSJLSSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480196 435334774 /nfs/dbraw/zinc/33/47/74/435334774.db2.gz FAOUOQQPRHMFSJ-CZKCSJLSSA-N 2 1 315.505 3.003 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567651524 435336880 /nfs/dbraw/zinc/33/68/80/435336880.db2.gz ZUDSRYYBVUSSDQ-IRXDYDNUSA-N 2 1 317.477 3.032 20 0 DGADMP COc1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)c2ccccc21 ZINC000639543505 435338575 /nfs/dbraw/zinc/33/85/75/435338575.db2.gz ILNIHBQADGYYAV-UHFFFAOYSA-N 2 1 324.428 3.270 20 0 DGADMP COc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)c2ccccc21 ZINC000639543505 435338580 /nfs/dbraw/zinc/33/85/80/435338580.db2.gz ILNIHBQADGYYAV-UHFFFAOYSA-N 2 1 324.428 3.270 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000643521620 435340603 /nfs/dbraw/zinc/34/06/03/435340603.db2.gz QFPHEBIHCJOHEG-VXGBXAGGSA-N 2 1 302.340 3.378 20 0 DGADMP Cc1cc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccnc2)ccc1F ZINC000643522458 435341215 /nfs/dbraw/zinc/34/12/15/435341215.db2.gz NIHYTEGVQLYKLI-PKOBYXMFSA-N 2 1 313.420 3.350 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000643521617 435341281 /nfs/dbraw/zinc/34/12/81/435341281.db2.gz QFPHEBIHCJOHEG-NWDGAFQWSA-N 2 1 302.340 3.378 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000643526689 435343803 /nfs/dbraw/zinc/34/38/03/435343803.db2.gz DSEBMQAPWAVMRY-OTYXRUKQSA-N 2 1 322.250 3.245 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(-c2ccccc2)nn1C ZINC000643548554 435348602 /nfs/dbraw/zinc/34/86/02/435348602.db2.gz QSQBCQCBSXFZJC-WBVHZDCISA-N 2 1 324.472 3.412 20 0 DGADMP CC[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000535806250 435352585 /nfs/dbraw/zinc/35/25/85/435352585.db2.gz MOSQRMATFSBQHK-GSEOLPGOSA-N 2 1 316.489 3.364 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000479847149 435356705 /nfs/dbraw/zinc/35/67/05/435356705.db2.gz AZBNRSHMLAXLFG-IBGZPJMESA-N 2 1 304.478 3.302 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512649098 435363525 /nfs/dbraw/zinc/36/35/25/435363525.db2.gz QIBUEWSLWFHQRB-GBESFXJTSA-N 2 1 316.489 3.302 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000536695503 435406682 /nfs/dbraw/zinc/40/66/82/435406682.db2.gz FYXQGXPMXQKOEF-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000536695503 435406688 /nfs/dbraw/zinc/40/66/88/435406688.db2.gz FYXQGXPMXQKOEF-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000536695503 435406694 /nfs/dbraw/zinc/40/66/94/435406694.db2.gz FYXQGXPMXQKOEF-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000536695503 435406701 /nfs/dbraw/zinc/40/67/01/435406701.db2.gz FYXQGXPMXQKOEF-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000536874949 435416306 /nfs/dbraw/zinc/41/63/06/435416306.db2.gz FRMWSPGNNLZCRE-ZWKOTPCHSA-N 2 1 304.478 3.392 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000644166683 435421009 /nfs/dbraw/zinc/42/10/09/435421009.db2.gz WYTVHPVSZARWNJ-BPLDGKMQSA-N 2 1 313.367 3.337 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000536066330 435369120 /nfs/dbraw/zinc/36/91/20/435369120.db2.gz CQNRLYUBVQLBMO-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@H]1CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000536066330 435369126 /nfs/dbraw/zinc/36/91/26/435369126.db2.gz CQNRLYUBVQLBMO-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536066678 435370631 /nfs/dbraw/zinc/37/06/31/435370631.db2.gz HOLGITVHVNPKOB-UKRRQHHQSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@@H](c2nccn2C)C1 ZINC000536066678 435370633 /nfs/dbraw/zinc/37/06/33/435370633.db2.gz HOLGITVHVNPKOB-UKRRQHHQSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639641992 435377628 /nfs/dbraw/zinc/37/76/28/435377628.db2.gz OBKHWENQDIZXPU-SXLOBPIMSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639641992 435377634 /nfs/dbraw/zinc/37/76/34/435377634.db2.gz OBKHWENQDIZXPU-SXLOBPIMSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639641992 435377640 /nfs/dbraw/zinc/37/76/40/435377640.db2.gz OBKHWENQDIZXPU-SXLOBPIMSA-N 2 1 314.473 3.009 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C2CC2)c1 ZINC000513393478 435386836 /nfs/dbraw/zinc/38/68/36/435386836.db2.gz GLENAUGHPMHMHR-HXUWFJFHSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C2CC2)c1 ZINC000513393478 435386840 /nfs/dbraw/zinc/38/68/40/435386840.db2.gz GLENAUGHPMHMHR-HXUWFJFHSA-N 2 1 316.489 3.480 20 0 DGADMP FC1(F)CCCC[C@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684618 435391997 /nfs/dbraw/zinc/39/19/97/435391997.db2.gz XMCNWMIYNCUQJI-HNNXBMFYSA-N 2 1 309.404 3.419 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000513513380 435392098 /nfs/dbraw/zinc/39/20/98/435392098.db2.gz SDRRGCNEIPWODP-MJGOQNOKSA-N 2 1 309.457 3.472 20 0 DGADMP Oc1ccc(Cl)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639684693 435392555 /nfs/dbraw/zinc/39/25/55/435392555.db2.gz JFVXOORKNCJJBZ-UHFFFAOYSA-N 2 1 317.820 3.153 20 0 DGADMP Oc1ccc(Cl)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639684693 435392561 /nfs/dbraw/zinc/39/25/61/435392561.db2.gz JFVXOORKNCJJBZ-UHFFFAOYSA-N 2 1 317.820 3.153 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161901 435399665 /nfs/dbraw/zinc/39/96/65/435399665.db2.gz LNWKLUPJCJJLDN-STQMWFEESA-N 2 1 315.373 3.166 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161901 435399672 /nfs/dbraw/zinc/39/96/72/435399672.db2.gz LNWKLUPJCJJLDN-STQMWFEESA-N 2 1 315.373 3.166 20 0 DGADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)CC[C@@H]1CCCC[NH+]1C ZINC000482174297 435457573 /nfs/dbraw/zinc/45/75/73/435457573.db2.gz YQOOQFLQIXCMSZ-IBGZPJMESA-N 2 1 316.489 3.360 20 0 DGADMP C[NH+](CCCc1ccc2c(c1)CCO2)CC[C@@H]1CCCC[N@@H+]1C ZINC000482174297 435457578 /nfs/dbraw/zinc/45/75/78/435457578.db2.gz YQOOQFLQIXCMSZ-IBGZPJMESA-N 2 1 316.489 3.360 20 0 DGADMP C[NH+](CCCc1ccc2c(c1)CCO2)CC[C@@H]1CCCC[N@H+]1C ZINC000482174297 435457579 /nfs/dbraw/zinc/45/75/79/435457579.db2.gz YQOOQFLQIXCMSZ-IBGZPJMESA-N 2 1 316.489 3.360 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000482320457 435463119 /nfs/dbraw/zinc/46/31/19/435463119.db2.gz NWLQLFIUSJZTTO-MISYRCLQSA-N 2 1 323.569 3.310 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568901073 435481257 /nfs/dbraw/zinc/48/12/57/435481257.db2.gz LNONUTCCJBHSFJ-AHRSYUTCSA-N 3 1 315.505 3.421 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2CCOCC2)CC1)CC(C)C ZINC000537995227 435477086 /nfs/dbraw/zinc/47/70/86/435477086.db2.gz JKPRIRNAZRKRPI-UHFFFAOYSA-N 2 1 310.526 3.493 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NCCC[NH+]1CCCCC1 ZINC000482699801 435478025 /nfs/dbraw/zinc/47/80/25/435478025.db2.gz VGDKCQZMLQQIEI-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000482699801 435478033 /nfs/dbraw/zinc/47/80/33/435478033.db2.gz VGDKCQZMLQQIEI-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP CO[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000639984411 435480319 /nfs/dbraw/zinc/48/03/19/435480319.db2.gz UXEQTPJUYNVLEZ-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP c1ccc2c(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)ccnc2c1 ZINC000569188507 435510731 /nfs/dbraw/zinc/51/07/31/435510731.db2.gz ARWHFKJFGJPOFF-QGZVFWFLSA-N 2 1 305.381 3.283 20 0 DGADMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000640080083 435512958 /nfs/dbraw/zinc/51/29/58/435512958.db2.gz UQGPUWQWAKAMPP-HSALFYBXSA-N 2 1 314.473 3.018 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723893 435518011 /nfs/dbraw/zinc/51/80/11/435518011.db2.gz FTEWHXORAVGMQX-GUDVDZBRSA-N 2 1 321.553 3.161 20 0 DGADMP C([NH2+][C@@H]1CCC[C@H]1C1CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000538116916 435481984 /nfs/dbraw/zinc/48/19/84/435481984.db2.gz QZSOHSPDJJMRPO-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2sccc2C)[C@H](C)C1 ZINC000538118183 435483382 /nfs/dbraw/zinc/48/33/82/435483382.db2.gz WYXLYSRYHFITMN-SJORKVTESA-N 2 1 324.534 3.326 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1OC(F)F ZINC000516660319 435546640 /nfs/dbraw/zinc/54/66/40/435546640.db2.gz VMUUMHPOVDYPAN-GFCCVEGCSA-N 2 1 309.360 3.305 20 0 DGADMP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000484894538 435555250 /nfs/dbraw/zinc/55/52/50/435555250.db2.gz PAWDGZWVWRKJGC-KSZLIROESA-N 2 1 322.880 3.019 20 0 DGADMP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000484894542 435555545 /nfs/dbraw/zinc/55/55/45/435555545.db2.gz PAWDGZWVWRKJGC-RCCFBDPRSA-N 2 1 322.880 3.019 20 0 DGADMP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000484894540 435557003 /nfs/dbraw/zinc/55/70/03/435557003.db2.gz PAWDGZWVWRKJGC-KURKYZTESA-N 2 1 322.880 3.019 20 0 DGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]CC3CC3)cc2)C[C@H]1C ZINC000539555196 435557622 /nfs/dbraw/zinc/55/76/22/435557622.db2.gz GVYXISMABODVQA-CALCHBBNSA-N 2 1 316.489 3.195 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCSC4)C[C@H]3C2)cc1 ZINC000517022871 435569107 /nfs/dbraw/zinc/56/91/07/435569107.db2.gz HNRSQRCYPJCPSJ-GUDVDZBRSA-N 2 1 316.514 3.193 20 0 DGADMP CC(C)[N@H+]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000649374043 435571994 /nfs/dbraw/zinc/57/19/94/435571994.db2.gz JLKHDAIDUBNCPK-GOSISDBHSA-N 2 1 323.525 3.007 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411050 435581282 /nfs/dbraw/zinc/58/12/82/435581282.db2.gz JKWNSQWFEFNGBM-UONOGXRCSA-N 2 1 301.459 3.085 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000539122059 435539426 /nfs/dbraw/zinc/53/94/26/435539426.db2.gz COQNLIXZDXMLTN-LXZKKBNFSA-N 2 1 310.869 3.427 20 0 DGADMP CC[N@@H+](C[C@@H](OC)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000644925001 435542447 /nfs/dbraw/zinc/54/24/47/435542447.db2.gz CYLRMEYEACUNAJ-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@@H](OC)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644925001 435542455 /nfs/dbraw/zinc/54/24/55/435542455.db2.gz CYLRMEYEACUNAJ-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@@H](OC)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644925001 435542461 /nfs/dbraw/zinc/54/24/61/435542461.db2.gz CYLRMEYEACUNAJ-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000484500354 435546279 /nfs/dbraw/zinc/54/62/79/435546279.db2.gz KQYAPZNNIWRYDT-MUDKKEKZSA-N 2 1 304.478 3.156 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000570341321 435610719 /nfs/dbraw/zinc/61/07/19/435610719.db2.gz GBDKVGIJQBNSMQ-OAHLLOKOSA-N 2 1 323.868 3.063 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000570341321 435610724 /nfs/dbraw/zinc/61/07/24/435610724.db2.gz GBDKVGIJQBNSMQ-OAHLLOKOSA-N 2 1 323.868 3.063 20 0 DGADMP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@@H]2C1 ZINC000486708854 435611904 /nfs/dbraw/zinc/61/19/04/435611904.db2.gz LPYMUXPBPITGNO-SJKOYZFVSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@@H]2C1 ZINC000486708854 435611905 /nfs/dbraw/zinc/61/19/05/435611905.db2.gz LPYMUXPBPITGNO-SJKOYZFVSA-N 2 1 301.821 3.419 20 0 DGADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354138 435612216 /nfs/dbraw/zinc/61/22/16/435612216.db2.gz RBRYCPHBTBFYIR-FXAWDEMLSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354138 435612218 /nfs/dbraw/zinc/61/22/18/435612218.db2.gz RBRYCPHBTBFYIR-FXAWDEMLSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354138 435612222 /nfs/dbraw/zinc/61/22/22/435612222.db2.gz RBRYCPHBTBFYIR-FXAWDEMLSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354138 435612225 /nfs/dbraw/zinc/61/22/25/435612225.db2.gz RBRYCPHBTBFYIR-FXAWDEMLSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354138 435612228 /nfs/dbraw/zinc/61/22/28/435612228.db2.gz RBRYCPHBTBFYIR-FXAWDEMLSA-N 2 1 312.457 3.289 20 0 DGADMP Cc1[nH]c2nc[nH+]c(NCc3ccc(CC[NH+](C)C)cc3)c2c1C ZINC000645221237 435596697 /nfs/dbraw/zinc/59/66/97/435596697.db2.gz IRHWZRLDYDOFFA-UHFFFAOYSA-N 2 1 323.444 3.291 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000518374781 435636171 /nfs/dbraw/zinc/63/61/71/435636171.db2.gz HSXMROSHJQQFFP-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000518374781 435636175 /nfs/dbraw/zinc/63/61/75/435636175.db2.gz HSXMROSHJQQFFP-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640530892 435597933 /nfs/dbraw/zinc/59/79/33/435597933.db2.gz HQMQVRITJXSDAX-UHFFFAOYSA-N 2 1 317.477 3.131 20 0 DGADMP Cc1cccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640530892 435597939 /nfs/dbraw/zinc/59/79/39/435597939.db2.gz HQMQVRITJXSDAX-UHFFFAOYSA-N 2 1 317.477 3.131 20 0 DGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517572498 435601764 /nfs/dbraw/zinc/60/17/64/435601764.db2.gz MNLURTFNFCHYKZ-ZFWWWQNUSA-N 2 1 305.466 3.355 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccn21 ZINC000570932082 435663590 /nfs/dbraw/zinc/66/35/90/435663590.db2.gz JDBJDMBJHAFNMB-LSDHHAIUSA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccn21 ZINC000570932082 435663595 /nfs/dbraw/zinc/66/35/95/435663595.db2.gz JDBJDMBJHAFNMB-LSDHHAIUSA-N 2 1 312.461 3.173 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000571069867 435673767 /nfs/dbraw/zinc/67/37/67/435673767.db2.gz OKWQBXBRSUCTLT-FCWGVCEXSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000571069867 435673769 /nfs/dbraw/zinc/67/37/69/435673769.db2.gz OKWQBXBRSUCTLT-FCWGVCEXSA-N 2 1 308.510 3.434 20 0 DGADMP C(C[C@H]1CCOC1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000645792135 435692832 /nfs/dbraw/zinc/69/28/32/435692832.db2.gz VPEJNNYWRYZRAC-RBUKOAKNSA-N 2 1 308.510 3.391 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571394871 435703831 /nfs/dbraw/zinc/70/38/31/435703831.db2.gz RQQUNTCNVGPCIW-ZQIUZPCESA-N 2 1 309.885 3.192 20 0 DGADMP c1sc2ccccc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697696 435732264 /nfs/dbraw/zinc/73/22/64/435732264.db2.gz VGTRCJZOKSXTHD-MRXNPFEDSA-N 2 1 316.470 3.244 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000655705033 435735137 /nfs/dbraw/zinc/73/51/37/435735137.db2.gz UNFYJVMZOLTMCJ-UHFFFAOYSA-N 2 1 312.461 3.065 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000655701003 435738034 /nfs/dbraw/zinc/73/80/34/435738034.db2.gz OEBXZVZIXFVJBN-SFHVURJKSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000655701003 435738039 /nfs/dbraw/zinc/73/80/39/435738039.db2.gz OEBXZVZIXFVJBN-SFHVURJKSA-N 2 1 312.461 3.348 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000655714368 435742302 /nfs/dbraw/zinc/74/23/02/435742302.db2.gz BQTFYRNZGVWSTQ-KRWDZBQOSA-N 2 1 324.472 3.063 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655714368 435742310 /nfs/dbraw/zinc/74/23/10/435742310.db2.gz BQTFYRNZGVWSTQ-KRWDZBQOSA-N 2 1 324.472 3.063 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000655714368 435742317 /nfs/dbraw/zinc/74/23/17/435742317.db2.gz BQTFYRNZGVWSTQ-KRWDZBQOSA-N 2 1 324.472 3.063 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000571432861 435707515 /nfs/dbraw/zinc/70/75/15/435707515.db2.gz ZAKGACDRSNREFM-KRWDZBQOSA-N 2 1 317.477 3.117 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000655780450 435794888 /nfs/dbraw/zinc/79/48/88/435794888.db2.gz ZHPGFWMDKRMIFH-CTXDPNEZSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000655780450 435794892 /nfs/dbraw/zinc/79/48/92/435794892.db2.gz ZHPGFWMDKRMIFH-CTXDPNEZSA-N 2 1 324.472 3.204 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000641772734 435819924 /nfs/dbraw/zinc/81/99/24/435819924.db2.gz BCRHBNAPQPKFHN-VQTJNVASSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000651599339 435764523 /nfs/dbraw/zinc/76/45/23/435764523.db2.gz SUPPBNIDJNIJTE-UHFFFAOYSA-N 2 1 307.825 3.445 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474957 435766975 /nfs/dbraw/zinc/76/69/75/435766975.db2.gz SEVFQDBHRWQFGC-ZWKOTPCHSA-N 2 1 302.462 3.243 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000520839590 435776974 /nfs/dbraw/zinc/77/69/74/435776974.db2.gz KTXTZVXERPTRAG-SFHVURJKSA-N 2 1 322.880 3.335 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1=CCCCC1 ZINC000655756906 435777209 /nfs/dbraw/zinc/77/72/09/435777209.db2.gz KUVIQSHGELAYGF-SFHVURJKSA-N 2 1 306.494 3.356 20 0 DGADMP c1c2cnccc2oc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000651650954 435779433 /nfs/dbraw/zinc/77/94/33/435779433.db2.gz GHERSIZAQXEGJV-KSSFIOAISA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000651650954 435779442 /nfs/dbraw/zinc/77/94/42/435779442.db2.gz GHERSIZAQXEGJV-KSSFIOAISA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000651650954 435779444 /nfs/dbraw/zinc/77/94/44/435779444.db2.gz GHERSIZAQXEGJV-KSSFIOAISA-N 2 1 311.429 3.277 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1C ZINC000655764751 435784813 /nfs/dbraw/zinc/78/48/13/435784813.db2.gz QTANYFKBMMJRRP-NTDBWNAOSA-N 2 1 308.510 3.292 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000641800329 435828041 /nfs/dbraw/zinc/82/80/41/435828041.db2.gz ZIMZSADMNWVNEE-ZIAGYGMSSA-N 2 1 301.459 3.118 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800830 435828838 /nfs/dbraw/zinc/82/88/38/435828838.db2.gz GPKXTCQIYMRNCH-SJORKVTESA-N 2 1 311.429 3.224 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800830 435828844 /nfs/dbraw/zinc/82/88/44/435828844.db2.gz GPKXTCQIYMRNCH-SJORKVTESA-N 2 1 311.429 3.224 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000641807502 435829097 /nfs/dbraw/zinc/82/90/97/435829097.db2.gz VCIVAPVOOFRVDY-MSOLQXFVSA-N 2 1 323.440 3.008 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000641821663 435834843 /nfs/dbraw/zinc/83/48/43/435834843.db2.gz NSNQPUOJWVZKJQ-INIZCTEOSA-N 2 1 305.466 3.147 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000651865826 435849613 /nfs/dbraw/zinc/84/96/13/435849613.db2.gz JASWGFIFALCBBX-UHFFFAOYSA-N 2 1 301.434 3.008 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000651865826 435849616 /nfs/dbraw/zinc/84/96/16/435849616.db2.gz JASWGFIFALCBBX-UHFFFAOYSA-N 2 1 301.434 3.008 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000651865810 435851284 /nfs/dbraw/zinc/85/12/84/435851284.db2.gz IQTUHLKIDAQUGR-INIZCTEOSA-N 2 1 316.493 3.452 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1nsc3ccccc31)C2 ZINC000660665709 435851702 /nfs/dbraw/zinc/85/17/02/435851702.db2.gz XIXBOKYXBBNULN-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777322 435852371 /nfs/dbraw/zinc/85/23/71/435852371.db2.gz HZVXVUIEAZJDQT-QUCCMNQESA-N 2 1 318.505 3.337 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777322 435852374 /nfs/dbraw/zinc/85/23/74/435852374.db2.gz HZVXVUIEAZJDQT-QUCCMNQESA-N 2 1 318.505 3.337 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCCc1c(F)cccc1F)C2 ZINC000660665894 435852458 /nfs/dbraw/zinc/85/24/58/435852458.db2.gz YXEFVCKDDNCPOD-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCc1c(F)cccc1F)C2 ZINC000660665894 435852463 /nfs/dbraw/zinc/85/24/63/435852463.db2.gz YXEFVCKDDNCPOD-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1c(F)cccc1F)C2 ZINC000660665894 435852467 /nfs/dbraw/zinc/85/24/67/435852467.db2.gz YXEFVCKDDNCPOD-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCc1c(F)cccc1F)C2 ZINC000660665894 435852470 /nfs/dbraw/zinc/85/24/70/435852470.db2.gz YXEFVCKDDNCPOD-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCc1c(F)cccc1F)C2 ZINC000660665894 435852475 /nfs/dbraw/zinc/85/24/75/435852475.db2.gz YXEFVCKDDNCPOD-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777323 435853583 /nfs/dbraw/zinc/85/35/83/435853583.db2.gz HZVXVUIEAZJDQT-UYAOXDASSA-N 2 1 318.505 3.337 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777323 435853587 /nfs/dbraw/zinc/85/35/87/435853587.db2.gz HZVXVUIEAZJDQT-UYAOXDASSA-N 2 1 318.505 3.337 20 0 DGADMP CC[N@@H+](CCCN[C@@H]1CC[NH+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910053 435860813 /nfs/dbraw/zinc/86/08/13/435860813.db2.gz FQVRGIWAVGOKOG-IEBWSBKVSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910053 435860820 /nfs/dbraw/zinc/86/08/20/435860820.db2.gz FQVRGIWAVGOKOG-IEBWSBKVSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910053 435860826 /nfs/dbraw/zinc/86/08/26/435860826.db2.gz FQVRGIWAVGOKOG-IEBWSBKVSA-N 2 1 309.542 3.351 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777952 435865169 /nfs/dbraw/zinc/86/51/69/435865169.db2.gz UMQHZOLDHMQYNA-YSHGAJCASA-N 2 1 319.493 3.004 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777952 435865172 /nfs/dbraw/zinc/86/51/72/435865172.db2.gz UMQHZOLDHMQYNA-YSHGAJCASA-N 2 1 319.493 3.004 20 0 DGADMP CC[N@@H+](C)C[C@H](O)CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801100 435868838 /nfs/dbraw/zinc/86/88/38/435868838.db2.gz OAOQJPKFOAVWEB-ZFWWWQNUSA-N 2 1 310.869 3.178 20 0 DGADMP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000655819182 435822981 /nfs/dbraw/zinc/82/29/81/435822981.db2.gz WVRJGGYVVOMYFN-REPLKXPHSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651983200 435883343 /nfs/dbraw/zinc/88/33/43/435883343.db2.gz SGBBWBIGZPDRLL-HLIPFELVSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651983200 435883349 /nfs/dbraw/zinc/88/33/49/435883349.db2.gz SGBBWBIGZPDRLL-HLIPFELVSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccnc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000650349756 435897629 /nfs/dbraw/zinc/89/76/29/435897629.db2.gz DDHBZLPJIXZYOV-UHFFFAOYSA-N 2 1 315.383 3.239 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193060 435908886 /nfs/dbraw/zinc/90/88/86/435908886.db2.gz LAYGVFMGNNFXCP-NSISKUIASA-N 2 1 315.505 3.421 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1N1CCCC1 ZINC000665236076 435923890 /nfs/dbraw/zinc/92/38/90/435923890.db2.gz GWKPVCZKLQODGI-FUHWJXTLSA-N 2 1 316.493 3.082 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000652222394 435926026 /nfs/dbraw/zinc/92/60/26/435926026.db2.gz NIVMJZRYDLCZSE-DLBZAZTESA-N 2 1 306.498 3.014 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000652222397 435926199 /nfs/dbraw/zinc/92/61/99/435926199.db2.gz NIVMJZRYDLCZSE-SJORKVTESA-N 2 1 306.498 3.014 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000652222482 435926384 /nfs/dbraw/zinc/92/63/84/435926384.db2.gz POMVRQKJZVWOTL-OAHLLOKOSA-N 2 1 317.477 3.200 20 0 DGADMP Fc1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1OC1CC1 ZINC000665244229 435926846 /nfs/dbraw/zinc/92/68/46/435926846.db2.gz JIOGLVLJFPATHU-IXDOHACOSA-N 2 1 318.436 3.377 20 0 DGADMP Cc1ccc(-c2ncc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1C ZINC000656255127 435926917 /nfs/dbraw/zinc/92/69/17/435926917.db2.gz LQOYKUGKFFRXRU-HOTGVXAUSA-N 2 1 313.470 3.078 20 0 DGADMP CCCc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650708183 435994357 /nfs/dbraw/zinc/99/43/57/435994357.db2.gz UZVHZGMPPXCZLG-XUVXKRRUSA-N 2 1 316.489 3.357 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363636 435958768 /nfs/dbraw/zinc/95/87/68/435958768.db2.gz JULABUBJLCVRAM-IPMKNSEASA-N 2 1 302.462 3.110 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000652358537 435958875 /nfs/dbraw/zinc/95/88/75/435958875.db2.gz PWWHWQGFFSNXCL-ZWKOTPCHSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@H](NCc1ccc2c(n1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534121 435966692 /nfs/dbraw/zinc/96/66/92/435966692.db2.gz AKCCHUWXIQZRHT-RDJZCZTQSA-N 2 1 313.489 3.313 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000656534121 435966696 /nfs/dbraw/zinc/96/66/96/435966696.db2.gz AKCCHUWXIQZRHT-RDJZCZTQSA-N 2 1 313.489 3.313 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534121 435966698 /nfs/dbraw/zinc/96/66/98/435966698.db2.gz AKCCHUWXIQZRHT-RDJZCZTQSA-N 2 1 313.489 3.313 20 0 DGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705449 435994599 /nfs/dbraw/zinc/99/45/99/435994599.db2.gz HJCLITGGSLOJAD-BQFCYCMXSA-N 2 1 320.502 3.127 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647201724 435972752 /nfs/dbraw/zinc/97/27/52/435972752.db2.gz ZGHMLOMGWOKQLA-GOSISDBHSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647201724 435972756 /nfs/dbraw/zinc/97/27/56/435972756.db2.gz ZGHMLOMGWOKQLA-GOSISDBHSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705244 435995042 /nfs/dbraw/zinc/99/50/42/435995042.db2.gz AGXWTJOBOVAUOZ-CMKODMSKSA-N 2 1 316.489 3.330 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000647244527 435987360 /nfs/dbraw/zinc/98/73/60/435987360.db2.gz BCXLXUOQEHJAJF-KVPLUYHFSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000647244527 435987363 /nfs/dbraw/zinc/98/73/63/435987363.db2.gz BCXLXUOQEHJAJF-KVPLUYHFSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000647244528 435988551 /nfs/dbraw/zinc/98/85/51/435988551.db2.gz BCXLXUOQEHJAJF-ONCXSQPRSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000647244528 435988554 /nfs/dbraw/zinc/98/85/54/435988554.db2.gz BCXLXUOQEHJAJF-ONCXSQPRSA-N 2 1 318.505 3.426 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000650708162 435995108 /nfs/dbraw/zinc/99/51/08/435995108.db2.gz UQFHVUABHRCUSF-BFFAUZKJSA-N 2 1 318.436 3.057 20 0 DGADMP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279386 435937941 /nfs/dbraw/zinc/93/79/41/435937941.db2.gz BNGAJDXQARZAFG-AJQRCPHMSA-N 2 1 321.262 3.168 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000665281481 435938640 /nfs/dbraw/zinc/93/86/40/435938640.db2.gz DTGYXVXIPZRXBR-SOAGJPPSSA-N 2 1 317.521 3.393 20 0 DGADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299077 435944417 /nfs/dbraw/zinc/94/44/17/435944417.db2.gz FVYJNVULFPCUGV-VNTMZGSJSA-N 3 1 319.537 3.009 20 0 DGADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299077 435944419 /nfs/dbraw/zinc/94/44/19/435944419.db2.gz FVYJNVULFPCUGV-VNTMZGSJSA-N 2 1 319.537 3.009 20 0 DGADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299077 435944422 /nfs/dbraw/zinc/94/44/22/435944422.db2.gz FVYJNVULFPCUGV-VNTMZGSJSA-N 2 1 319.537 3.009 20 0 DGADMP CCOc1ccc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000652335777 435953555 /nfs/dbraw/zinc/95/35/55/435953555.db2.gz GCSAPOSUDMFFQC-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347166 435954005 /nfs/dbraw/zinc/95/40/05/435954005.db2.gz UHJOUWIZLIYLJV-SIUPPRGNSA-N 2 1 306.425 3.105 20 0 DGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348060 435954803 /nfs/dbraw/zinc/95/48/03/435954803.db2.gz TUKLIIXSIVPEKO-OEUWWYETSA-N 2 1 324.415 3.244 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352564 435956180 /nfs/dbraw/zinc/95/61/80/435956180.db2.gz ABOUQRMVFIVQBE-HOCLYGCPSA-N 2 1 323.278 3.318 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352564 435956185 /nfs/dbraw/zinc/95/61/85/435956185.db2.gz ABOUQRMVFIVQBE-HOCLYGCPSA-N 2 1 323.278 3.318 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000652351500 435956407 /nfs/dbraw/zinc/95/64/07/435956407.db2.gz BLCPYNJXUIHGOS-KSSFIOAISA-N 2 1 315.392 3.042 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711091 435998462 /nfs/dbraw/zinc/99/84/62/435998462.db2.gz IFFNGVXUDPCDIJ-GUYCJALGSA-N 2 1 306.498 3.204 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000650708701 435998932 /nfs/dbraw/zinc/99/89/32/435998932.db2.gz JFMBBLGUXJQPJY-XUVXKRRUSA-N 2 1 314.473 3.282 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC000650709175 435999216 /nfs/dbraw/zinc/99/92/16/435999216.db2.gz IKKXTLBHQONYKI-YJBOKZPZSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC000650709175 435999220 /nfs/dbraw/zinc/99/92/20/435999220.db2.gz IKKXTLBHQONYKI-YJBOKZPZSA-N 2 1 313.470 3.371 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)[C@H]1CC[NH3+] ZINC000650711547 435999299 /nfs/dbraw/zinc/99/92/99/435999299.db2.gz WQLAIUCKYAIEIW-WFASDCNBSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)[C@H]1CC[NH3+] ZINC000650711547 435999306 /nfs/dbraw/zinc/99/93/06/435999306.db2.gz WQLAIUCKYAIEIW-WFASDCNBSA-N 2 1 320.868 3.176 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)c1 ZINC000650722424 436006395 /nfs/dbraw/zinc/00/63/95/436006395.db2.gz SLQPVGUZZJPQKO-QRVBRYPASA-N 2 1 302.462 3.164 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)c1 ZINC000650722422 436006909 /nfs/dbraw/zinc/00/69/09/436006909.db2.gz SLQPVGUZZJPQKO-IPMKNSEASA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC000650724942 436007543 /nfs/dbraw/zinc/00/75/43/436007543.db2.gz PKMZCKNITNOHKF-RLLQIKCJSA-N 2 1 314.473 3.036 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000656692150 436009839 /nfs/dbraw/zinc/00/98/39/436009839.db2.gz KVDULNBXYDQIJZ-DNVCBOLYSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000656692150 436009841 /nfs/dbraw/zinc/00/98/41/436009841.db2.gz KVDULNBXYDQIJZ-DNVCBOLYSA-N 2 1 300.446 3.192 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c(F)c1 ZINC000650755921 436022140 /nfs/dbraw/zinc/02/21/40/436022140.db2.gz PLHYXXSKFILHOY-AWEZNQCLSA-N 2 1 324.321 3.479 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@H]2CCC[C@@H]21 ZINC000650759892 436022976 /nfs/dbraw/zinc/02/29/76/436022976.db2.gz SKFQLKPYEQWDBU-HNJRGHQBSA-N 2 1 313.489 3.266 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000647344800 436025326 /nfs/dbraw/zinc/02/53/26/436025326.db2.gz ZNEDWYPJZCQJEA-CVAIRZPRSA-N 2 1 310.441 3.388 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@H](C)C1 ZINC000647349216 436027768 /nfs/dbraw/zinc/02/77/68/436027768.db2.gz DVFYRFOXOLJHHI-CPFNUKBASA-N 2 1 314.489 3.241 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782819 436042437 /nfs/dbraw/zinc/04/24/37/436042437.db2.gz KFPNIJAYKOBGII-MSOLQXFVSA-N 2 1 314.473 3.264 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781965 436042677 /nfs/dbraw/zinc/04/26/77/436042677.db2.gz BBPNFZMWOUXTEC-HNNXBMFYSA-N 2 1 305.491 3.232 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782821 436043165 /nfs/dbraw/zinc/04/31/65/436043165.db2.gz KFPNIJAYKOBGII-QZTJIDSGSA-N 2 1 314.473 3.264 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656786587 436044380 /nfs/dbraw/zinc/04/43/80/436044380.db2.gz UYTWOQKGPLPCPT-MRXNPFEDSA-N 2 1 306.425 3.046 20 0 DGADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656785704 436045135 /nfs/dbraw/zinc/04/51/35/436045135.db2.gz INUARMJSEJRWDQ-NRFANRHFSA-N 2 1 323.484 3.245 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784583 436045234 /nfs/dbraw/zinc/04/52/34/436045234.db2.gz FNXNPUWEQXGRDW-SFHVURJKSA-N 2 1 302.462 3.297 20 0 DGADMP c1sc(C2CC2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784706 436046093 /nfs/dbraw/zinc/04/60/93/436046093.db2.gz GCTJJZSUDANKKQ-HNNXBMFYSA-N 2 1 305.491 3.232 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786521 436046164 /nfs/dbraw/zinc/04/61/64/436046164.db2.gz UAWGMNIWCIIOAY-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708303 435995637 /nfs/dbraw/zinc/99/56/37/435995637.db2.gz XHRPSRIYFVQWGP-BTHPGYMESA-N 2 1 316.489 3.399 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000650706969 435995668 /nfs/dbraw/zinc/99/56/68/435995668.db2.gz WDJFORCINJAHPC-SCRDCRAPSA-N 2 1 314.882 3.120 20 0 DGADMP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647258656 435996153 /nfs/dbraw/zinc/99/61/53/435996153.db2.gz MNTNGNUQMDSSKO-RDTXWAMCSA-N 2 1 322.493 3.316 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705486 435996494 /nfs/dbraw/zinc/99/64/94/435996494.db2.gz JKDAQRMLMUOVDP-GBESFXJTSA-N 2 1 302.462 3.022 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480345 436059037 /nfs/dbraw/zinc/05/90/37/436059037.db2.gz KIEMXDKIVYHFTJ-FUHWJXTLSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480345 436059044 /nfs/dbraw/zinc/05/90/44/436059044.db2.gz KIEMXDKIVYHFTJ-FUHWJXTLSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480408 436060151 /nfs/dbraw/zinc/06/01/51/436060151.db2.gz MJJZCKOZLNQJQN-PKOBYXMFSA-N 2 1 324.472 3.349 20 0 DGADMP Brc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482835 436062234 /nfs/dbraw/zinc/06/22/34/436062234.db2.gz BYBIPWZPHGERDU-UHFFFAOYSA-N 2 1 309.251 3.166 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480981 436062950 /nfs/dbraw/zinc/06/29/50/436062950.db2.gz LUTFOANKWGIHLL-DLBZAZTESA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480981 436062952 /nfs/dbraw/zinc/06/29/52/436062952.db2.gz LUTFOANKWGIHLL-DLBZAZTESA-N 2 1 318.461 3.058 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647483063 436064009 /nfs/dbraw/zinc/06/40/09/436064009.db2.gz WEDGGDBOMKZLSO-UHFFFAOYSA-N 2 1 314.351 3.302 20 0 DGADMP CCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498527 436065518 /nfs/dbraw/zinc/06/55/18/436065518.db2.gz JNGAWEYDLKNJMV-JKSUJKDBSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498527 436065521 /nfs/dbraw/zinc/06/55/21/436065521.db2.gz JNGAWEYDLKNJMV-JKSUJKDBSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498274 436065668 /nfs/dbraw/zinc/06/56/68/436065668.db2.gz DLFHSQDZHSERGY-YOEHRIQHSA-N 2 1 321.896 3.499 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498274 436065674 /nfs/dbraw/zinc/06/56/74/436065674.db2.gz DLFHSQDZHSERGY-YOEHRIQHSA-N 2 1 321.896 3.499 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498123 436065770 /nfs/dbraw/zinc/06/57/70/436065770.db2.gz AVXWNNRCBPAITQ-CVEARBPZSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498123 436065776 /nfs/dbraw/zinc/06/57/76/436065776.db2.gz AVXWNNRCBPAITQ-CVEARBPZSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647498552 436066838 /nfs/dbraw/zinc/06/68/38/436066838.db2.gz JZMFDVSALCMRCJ-APWZRJJASA-N 2 1 312.461 3.048 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647498861 436067204 /nfs/dbraw/zinc/06/72/04/436067204.db2.gz SFUUWOKQSNJAMD-HIFRSBDPSA-N 2 1 316.367 3.187 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647536573 436076210 /nfs/dbraw/zinc/07/62/10/436076210.db2.gz DRURMSIEOGNIAK-IBGZPJMESA-N 2 1 324.428 3.004 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000647542803 436076930 /nfs/dbraw/zinc/07/69/30/436076930.db2.gz CABIDJPBUXYHTD-ROUUACIJSA-N 2 1 324.472 3.084 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543865 436077661 /nfs/dbraw/zinc/07/76/61/436077661.db2.gz TUJDKLAFWVFSPT-DLBZAZTESA-N 2 1 302.462 3.297 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544208 436080330 /nfs/dbraw/zinc/08/03/30/436080330.db2.gz YFKIOFCLCUSUPG-DLBZAZTESA-N 2 1 302.462 3.215 20 0 DGADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000647550808 436082484 /nfs/dbraw/zinc/08/24/84/436082484.db2.gz ISFXOSPDMAICOL-IUODEOHRSA-N 2 1 323.278 3.068 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000657174720 436087042 /nfs/dbraw/zinc/08/70/42/436087042.db2.gz AGUFPCAPCQRUHL-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP Cc1c[nH]c(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000657309310 436128332 /nfs/dbraw/zinc/12/83/32/436128332.db2.gz CYCHGTAYBZGIJJ-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000657309310 436128335 /nfs/dbraw/zinc/12/83/35/436128335.db2.gz CYCHGTAYBZGIJJ-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000657309310 436128338 /nfs/dbraw/zinc/12/83/38/436128338.db2.gz CYCHGTAYBZGIJJ-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](c2ccccc2)O1 ZINC000647882223 436140474 /nfs/dbraw/zinc/14/04/74/436140474.db2.gz XXHMCKXZOOZARF-LPHOPBHVSA-N 2 1 302.462 3.228 20 0 DGADMP Clc1ccc(O[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647890693 436142615 /nfs/dbraw/zinc/14/26/15/436142615.db2.gz DZYKNXQNNPDJOT-DGCLKSJQSA-N 2 1 315.244 3.056 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647885893 436142693 /nfs/dbraw/zinc/14/26/93/436142693.db2.gz HCNNVOZTIUHDFE-LJQANCHMSA-N 2 1 302.462 3.148 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](c1ccccc1)C2 ZINC000647890734 436143271 /nfs/dbraw/zinc/14/32/71/436143271.db2.gz LUIBIYLNFCIWMW-KKSFZXQISA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](c1ccccc1)C2 ZINC000647890734 436143273 /nfs/dbraw/zinc/14/32/73/436143273.db2.gz LUIBIYLNFCIWMW-KKSFZXQISA-N 2 1 322.452 3.404 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902652 436144394 /nfs/dbraw/zinc/14/43/94/436144394.db2.gz ALYRQUBFSFUITN-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647905567 436144547 /nfs/dbraw/zinc/14/45/47/436144547.db2.gz KMJMBOPQOFSUTA-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000657338951 436145724 /nfs/dbraw/zinc/14/57/24/436145724.db2.gz XRAGYJYMSWIVLI-OWCLPIDISA-N 2 1 308.491 3.117 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000657338951 436145729 /nfs/dbraw/zinc/14/57/29/436145729.db2.gz XRAGYJYMSWIVLI-OWCLPIDISA-N 2 1 308.491 3.117 20 0 DGADMP CC(C)n1ccnc1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000657296915 436118772 /nfs/dbraw/zinc/11/87/72/436118772.db2.gz XYESETAWCWJLDS-UHFFFAOYSA-N 2 1 300.450 3.076 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@H]1CCCC[NH2+]1 ZINC000647800404 436124415 /nfs/dbraw/zinc/12/44/15/436124415.db2.gz ASBTZGCYVLOBLN-RBSFLKMASA-N 2 1 306.475 3.050 20 0 DGADMP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647959058 436159069 /nfs/dbraw/zinc/15/90/69/436159069.db2.gz UUUNICLMUFIEAT-KRWDZBQOSA-N 2 1 312.885 3.252 20 0 DGADMP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647959058 436159070 /nfs/dbraw/zinc/15/90/70/436159070.db2.gz UUUNICLMUFIEAT-KRWDZBQOSA-N 2 1 312.885 3.252 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000647959058 436159075 /nfs/dbraw/zinc/15/90/75/436159075.db2.gz UUUNICLMUFIEAT-KRWDZBQOSA-N 2 1 312.885 3.252 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000647959058 436159080 /nfs/dbraw/zinc/15/90/80/436159080.db2.gz UUUNICLMUFIEAT-KRWDZBQOSA-N 2 1 312.885 3.252 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647954459 436156554 /nfs/dbraw/zinc/15/65/54/436156554.db2.gz MFXASOMKHMFOGL-OAHLLOKOSA-N 2 1 300.368 3.309 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977729 436167319 /nfs/dbraw/zinc/16/73/19/436167319.db2.gz GTIDYFCVGLFTAV-CABCVRRESA-N 2 1 305.466 3.184 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967430 436162260 /nfs/dbraw/zinc/16/22/60/436162260.db2.gz FSKPJTGKVQSJBO-DLBZAZTESA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967430 436162265 /nfs/dbraw/zinc/16/22/65/436162265.db2.gz FSKPJTGKVQSJBO-DLBZAZTESA-N 2 1 310.457 3.204 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC[C@H]1c1ccccc1 ZINC000647965681 436162646 /nfs/dbraw/zinc/16/26/46/436162646.db2.gz FSVMQHLXWIWCAO-YZGWKJHDSA-N 2 1 318.505 3.203 20 0 DGADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC[C@H]1c1ccccc1 ZINC000647965681 436162649 /nfs/dbraw/zinc/16/26/49/436162649.db2.gz FSVMQHLXWIWCAO-YZGWKJHDSA-N 2 1 318.505 3.203 20 0 DGADMP C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000661710775 436163048 /nfs/dbraw/zinc/16/30/48/436163048.db2.gz VYIRMFATUTYCKV-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000647971531 436164237 /nfs/dbraw/zinc/16/42/37/436164237.db2.gz MORXJNHCBKFBCL-ZCNNSNEGSA-N 2 1 318.505 3.079 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000647971530 436164904 /nfs/dbraw/zinc/16/49/04/436164904.db2.gz MORXJNHCBKFBCL-XUVXKRRUSA-N 2 1 318.505 3.079 20 0 DGADMP C[C@@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[NH+]1CCCCC1 ZINC000657432143 436198366 /nfs/dbraw/zinc/19/83/66/436198366.db2.gz BVXMAYJFLKXLDW-HNNXBMFYSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000648068106 436201196 /nfs/dbraw/zinc/20/11/96/436201196.db2.gz BMDXDNDWZFXBGY-BSIFCXSSSA-N 2 1 324.468 3.258 20 0 DGADMP CCCn1nccc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000657439625 436201958 /nfs/dbraw/zinc/20/19/58/436201958.db2.gz JMVRKBCHEIAIEX-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3c(F)cccc3F)CC[C@H]21 ZINC000653570302 436209647 /nfs/dbraw/zinc/20/96/47/436209647.db2.gz IZZQNHUMUSLHCQ-KBXCAEBGSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3c(F)cccc3F)CC[C@H]21 ZINC000653570302 436209653 /nfs/dbraw/zinc/20/96/53/436209653.db2.gz IZZQNHUMUSLHCQ-KBXCAEBGSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3c(F)cccc3F)CC[C@H]21 ZINC000653570302 436209655 /nfs/dbraw/zinc/20/96/55/436209655.db2.gz IZZQNHUMUSLHCQ-KBXCAEBGSA-N 2 1 308.416 3.314 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878920 436219697 /nfs/dbraw/zinc/21/96/97/436219697.db2.gz RZXYTJPKOGVLJP-ROUUACIJSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878920 436219700 /nfs/dbraw/zinc/21/97/00/436219700.db2.gz RZXYTJPKOGVLJP-ROUUACIJSA-N 2 1 305.466 3.253 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]1(C)CO ZINC000662144963 436287190 /nfs/dbraw/zinc/28/71/90/436287190.db2.gz VALKIFLWUNZNPN-YLJYHZDGSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1ccc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662158789 436288240 /nfs/dbraw/zinc/28/82/40/436288240.db2.gz USBZZCHYFCWTNS-IBGZPJMESA-N 2 1 324.468 3.179 20 0 DGADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154534 436289078 /nfs/dbraw/zinc/28/90/78/436289078.db2.gz GKWQCUUCXRRRJT-LPHOPBHVSA-N 2 1 324.468 3.432 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000666852118 436294023 /nfs/dbraw/zinc/29/40/23/436294023.db2.gz HVGRHDYOCLBHAZ-ZIAGYGMSSA-N 2 1 317.458 3.178 20 0 DGADMP Clc1cccc(N2CCCC2)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856683 436294624 /nfs/dbraw/zinc/29/46/24/436294624.db2.gz YRLYCJWWAMVGQR-AWEZNQCLSA-N 2 1 307.869 3.172 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000657751393 436295525 /nfs/dbraw/zinc/29/55/25/436295525.db2.gz IFCSUBVPQBLJRC-AZUAARDMSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000657751282 436296055 /nfs/dbraw/zinc/29/60/55/436296055.db2.gz OYGWUKWQPIAVDC-KBXCAEBGSA-N 2 1 322.880 3.286 20 0 DGADMP FC(F)(F)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)OC1CCCC1 ZINC000657588182 436252859 /nfs/dbraw/zinc/25/28/59/436252859.db2.gz PCBGIGAWPRVOLJ-IPYPFGDCSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC1CCCC1 ZINC000657588182 436252864 /nfs/dbraw/zinc/25/28/64/436252864.db2.gz PCBGIGAWPRVOLJ-IPYPFGDCSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC1CCCC1 ZINC000657588182 436252866 /nfs/dbraw/zinc/25/28/66/436252866.db2.gz PCBGIGAWPRVOLJ-IPYPFGDCSA-N 2 1 320.399 3.093 20 0 DGADMP CCC1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000657593992 436257725 /nfs/dbraw/zinc/25/77/25/436257725.db2.gz FXHNMNXTHSUTGH-RRWXTXHCSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657594644 436257911 /nfs/dbraw/zinc/25/79/11/436257911.db2.gz JSCAYOCDGXRPCB-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657619896 436262465 /nfs/dbraw/zinc/26/24/65/436262465.db2.gz WDRHDINMDPWCIZ-PVAVHDDUSA-N 2 1 324.415 3.053 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000657619896 436262466 /nfs/dbraw/zinc/26/24/66/436262466.db2.gz WDRHDINMDPWCIZ-PVAVHDDUSA-N 2 1 324.415 3.053 20 0 DGADMP CC(C)c1nc([C@@H]2CCCCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC000666705443 436268221 /nfs/dbraw/zinc/26/82/21/436268221.db2.gz QZOZCBNRBPEEDD-OAGGEKHMSA-N 2 1 320.481 3.498 20 0 DGADMP C[C@@H](C[NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000666769035 436277416 /nfs/dbraw/zinc/27/74/16/436277416.db2.gz QQJYYEHQPONOMP-SWLSCSKDSA-N 2 1 311.267 3.284 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769943 436279376 /nfs/dbraw/zinc/27/93/76/436279376.db2.gz IMQJHHSJYSYRPF-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774423 436301528 /nfs/dbraw/zinc/30/15/28/436301528.db2.gz YQHPUNIPSIAVGQ-WDSOQIARSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3ccccn3)C3(CCC3)C2)cc1 ZINC000657771882 436301602 /nfs/dbraw/zinc/30/16/02/436301602.db2.gz OVFWCFPZYQHBHS-LJQANCHMSA-N 2 1 321.468 3.474 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3ccccn3)C3(CCC3)C2)cc1 ZINC000657771882 436301606 /nfs/dbraw/zinc/30/16/06/436301606.db2.gz OVFWCFPZYQHBHS-LJQANCHMSA-N 2 1 321.468 3.474 20 0 DGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666930238 436309988 /nfs/dbraw/zinc/30/99/88/436309988.db2.gz GYQPMJSNCGFIJF-KGLIPLIRSA-N 2 1 302.393 3.230 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2c1CC[NH2+]C2 ZINC000662248621 436311106 /nfs/dbraw/zinc/31/11/06/436311106.db2.gz HYELOVKWLIXXMP-UHFFFAOYSA-N 2 1 324.424 3.083 20 0 DGADMP C[C@@]1(c2ccccc2)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662255110 436314332 /nfs/dbraw/zinc/31/43/32/436314332.db2.gz OSKSQXGBYOHQGQ-NRFANRHFSA-N 2 1 322.452 3.080 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256246 436314702 /nfs/dbraw/zinc/31/47/02/436314702.db2.gz JPNRTUTZUGQCLK-VQIMIIECSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253227 436315040 /nfs/dbraw/zinc/31/50/40/436315040.db2.gz UKBZMSNXYUQTKD-SUMWQHHRSA-N 2 1 320.864 3.386 20 0 DGADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253515 436315152 /nfs/dbraw/zinc/31/51/52/436315152.db2.gz ZOFNUHWHRHTOTN-PKOBYXMFSA-N 2 1 312.457 3.049 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267022 436317543 /nfs/dbraw/zinc/31/75/43/436317543.db2.gz RTRGPGKDMATOMA-MNOVXSKESA-N 2 1 323.234 3.364 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267022 436317547 /nfs/dbraw/zinc/31/75/47/436317547.db2.gz RTRGPGKDMATOMA-MNOVXSKESA-N 2 1 323.234 3.364 20 0 DGADMP Cc1csc(C(C)(C)[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000662262985 436317840 /nfs/dbraw/zinc/31/78/40/436317840.db2.gz JSDBKOHUENZVFL-UHFFFAOYSA-N 2 1 301.459 3.122 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968959 436318008 /nfs/dbraw/zinc/31/80/08/436318008.db2.gz NOVXHSGFMOCGAE-LZLYRXPVSA-N 2 1 300.446 3.017 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccncc2s1 ZINC000657835178 436320910 /nfs/dbraw/zinc/32/09/10/436320910.db2.gz OIZLMCUXQMVRHE-QWHCGFSZSA-N 2 1 301.459 3.431 20 0 DGADMP CN(c1nc(C[N@H+](CCC[NH3+])CC2CCCC2)cs1)C1CC1 ZINC000662273637 436321358 /nfs/dbraw/zinc/32/13/58/436321358.db2.gz QGSXGUQNLGOVCW-UHFFFAOYSA-N 2 1 322.522 3.083 20 0 DGADMP CN(c1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)cs1)C1CC1 ZINC000662273637 436321360 /nfs/dbraw/zinc/32/13/60/436321360.db2.gz QGSXGUQNLGOVCW-UHFFFAOYSA-N 2 1 322.522 3.083 20 0 DGADMP Clc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c1)OCC2 ZINC000666996856 436322380 /nfs/dbraw/zinc/32/23/80/436322380.db2.gz ISDRFAZRLXXADV-OAHLLOKOSA-N 2 1 306.837 3.039 20 0 DGADMP c1ccc(N[C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662280219 436322348 /nfs/dbraw/zinc/32/23/48/436322348.db2.gz ZWYNLAMXOOHYAI-HXUWFJFHSA-N 2 1 321.468 3.409 20 0 DGADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662281196 436323716 /nfs/dbraw/zinc/32/37/16/436323716.db2.gz VXNWFHNYKHCRAL-BTYIYWSLSA-N 2 1 322.452 3.156 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298249 436325370 /nfs/dbraw/zinc/32/53/70/436325370.db2.gz UYEIWNPVATYILL-UKRRQHHQSA-N 2 1 320.481 3.140 20 0 DGADMP c1coc(-c2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)no2)c1 ZINC000662297168 436326576 /nfs/dbraw/zinc/32/65/76/436326576.db2.gz OBBARSDGYDFJFR-OAHLLOKOSA-N 2 1 315.417 3.146 20 0 DGADMP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC1 ZINC000657850331 436327055 /nfs/dbraw/zinc/32/70/55/436327055.db2.gz IBUSAXVAZFQECA-ZDUSSCGKSA-N 2 1 317.408 3.367 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662311365 436327626 /nfs/dbraw/zinc/32/76/26/436327626.db2.gz SAVJILFKZSNPFV-LPHOPBHVSA-N 2 1 302.462 3.048 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCCCO3)C1)C[NH2+]CC2 ZINC000662315779 436328988 /nfs/dbraw/zinc/32/89/88/436328988.db2.gz SEZXGXPLEQCSNJ-QUCCMNQESA-N 2 1 314.473 3.113 20 0 DGADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1C ZINC000662313732 436329014 /nfs/dbraw/zinc/32/90/14/436329014.db2.gz ZFDWHVPIGSFUTF-CRAIPNDOSA-N 2 1 317.477 3.081 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@@H]1CCC[NH3+] ZINC000662316734 436329502 /nfs/dbraw/zinc/32/95/02/436329502.db2.gz MUUNPFMICLQTOU-IUODEOHRSA-N 2 1 315.383 3.440 20 0 DGADMP C[C@H](CCc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323381 436330468 /nfs/dbraw/zinc/33/04/68/436330468.db2.gz QASZDRBPLFFDHY-MJGOQNOKSA-N 2 1 304.478 3.050 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CCCn3nccc32)C1 ZINC000657870972 436330568 /nfs/dbraw/zinc/33/05/68/436330568.db2.gz HLHBHGRWVZCIAY-KBAYOESNSA-N 2 1 310.445 3.143 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CCO1 ZINC000662321838 436330987 /nfs/dbraw/zinc/33/09/87/436330987.db2.gz DWDFFJDJFNNNTQ-FQEVSTJZSA-N 2 1 316.489 3.497 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCO1 ZINC000662321838 436330992 /nfs/dbraw/zinc/33/09/92/436330992.db2.gz DWDFFJDJFNNNTQ-FQEVSTJZSA-N 2 1 316.489 3.497 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CCO1 ZINC000662324830 436331554 /nfs/dbraw/zinc/33/15/54/436331554.db2.gz YPRZCFCKZHQPCP-MRXNPFEDSA-N 2 1 312.404 3.167 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCO1 ZINC000662324830 436331556 /nfs/dbraw/zinc/33/15/56/436331556.db2.gz YPRZCFCKZHQPCP-MRXNPFEDSA-N 2 1 312.404 3.167 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2csc3ccccc23)CCO1 ZINC000662322861 436331961 /nfs/dbraw/zinc/33/19/61/436331961.db2.gz NLAGXQFPOXBUCI-INIZCTEOSA-N 2 1 318.486 3.444 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCCn2nccc21)[N@H+](C)Cc1ccccc1 ZINC000657898609 436335004 /nfs/dbraw/zinc/33/50/04/436335004.db2.gz FMTORNUYKOOYLB-AEFFLSMTSA-N 2 1 312.461 3.218 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCCn2nccc21)[N@@H+](C)Cc1ccccc1 ZINC000657898609 436335006 /nfs/dbraw/zinc/33/50/06/436335006.db2.gz FMTORNUYKOOYLB-AEFFLSMTSA-N 2 1 312.461 3.218 20 0 DGADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657899111 436336698 /nfs/dbraw/zinc/33/66/98/436336698.db2.gz VXEKACIOTLPQMM-KRWDZBQOSA-N 2 1 302.466 3.105 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091009 436372520 /nfs/dbraw/zinc/37/25/20/436372520.db2.gz KBEYHYLKFISBCR-XJKSGUPXSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091009 436372522 /nfs/dbraw/zinc/37/25/22/436372522.db2.gz KBEYHYLKFISBCR-XJKSGUPXSA-N 2 1 321.440 3.005 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)C1 ZINC000658137919 436384564 /nfs/dbraw/zinc/38/45/64/436384564.db2.gz MKKYWUJWBFSXTM-RBUKOAKNSA-N 2 1 314.473 3.066 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[C@@H](C)C1 ZINC000658140477 436387649 /nfs/dbraw/zinc/38/76/49/436387649.db2.gz UMGPVMIJBNXACP-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658228502 436405864 /nfs/dbraw/zinc/40/58/64/436405864.db2.gz IXJIQVSRMIVBMX-KRWDZBQOSA-N 2 1 307.526 3.246 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658231060 436407321 /nfs/dbraw/zinc/40/73/21/436407321.db2.gz SBQFQIOMOHJWIL-ROUUACIJSA-N 2 1 313.489 3.326 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658231060 436407324 /nfs/dbraw/zinc/40/73/24/436407324.db2.gz SBQFQIOMOHJWIL-ROUUACIJSA-N 2 1 313.489 3.326 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCSCC2)[C@H](c2ccccc2)C1 ZINC000658041988 436358335 /nfs/dbraw/zinc/35/83/35/436358335.db2.gz NMYFPPRGURNHTP-SQNIBIBYSA-N 2 1 304.503 3.207 20 0 DGADMP C[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055389 436359836 /nfs/dbraw/zinc/35/98/36/436359836.db2.gz IFINOQFFGQTLOA-DZGCQCFKSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055389 436359840 /nfs/dbraw/zinc/35/98/40/436359840.db2.gz IFINOQFFGQTLOA-DZGCQCFKSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCOC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658328830 436430652 /nfs/dbraw/zinc/43/06/52/436430652.db2.gz CCXMPEOFQXUPGT-YTQUADARSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)c1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000663318024 436437804 /nfs/dbraw/zinc/43/78/04/436437804.db2.gz RGKRKLLATZKNOJ-IBGZPJMESA-N 2 1 304.478 3.137 20 0 DGADMP c1cc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccc2cn1 ZINC000663344531 436442135 /nfs/dbraw/zinc/44/21/35/436442135.db2.gz VIXXVLGJEZZFPK-GOSISDBHSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347581 436442168 /nfs/dbraw/zinc/44/21/68/436442168.db2.gz PFURKQAQBMEIHX-PYJQOMOHSA-N 2 1 314.473 3.420 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663345888 436442357 /nfs/dbraw/zinc/44/23/57/436442357.db2.gz NTQIDEOCDFNUMQ-GOSISDBHSA-N 2 1 318.509 3.122 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663345888 436442360 /nfs/dbraw/zinc/44/23/60/436442360.db2.gz NTQIDEOCDFNUMQ-GOSISDBHSA-N 2 1 318.509 3.122 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344636 436443033 /nfs/dbraw/zinc/44/30/33/436443033.db2.gz DDEZIDUGPOAISC-KRWDZBQOSA-N 2 1 324.472 3.288 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344636 436443038 /nfs/dbraw/zinc/44/30/38/436443038.db2.gz DDEZIDUGPOAISC-KRWDZBQOSA-N 2 1 324.472 3.288 20 0 DGADMP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347816 436445023 /nfs/dbraw/zinc/44/50/23/436445023.db2.gz WTSBFYWOAPUBLS-KRWDZBQOSA-N 2 1 302.462 3.297 20 0 DGADMP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347816 436445026 /nfs/dbraw/zinc/44/50/26/436445026.db2.gz WTSBFYWOAPUBLS-KRWDZBQOSA-N 2 1 302.462 3.297 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466929 436465732 /nfs/dbraw/zinc/46/57/32/436465732.db2.gz BIYBFEBFMNJKPD-RDJZCZTQSA-N 2 1 305.441 3.383 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466929 436465735 /nfs/dbraw/zinc/46/57/35/436465735.db2.gz BIYBFEBFMNJKPD-RDJZCZTQSA-N 2 1 305.441 3.383 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000658253323 436411820 /nfs/dbraw/zinc/41/18/20/436411820.db2.gz LMOSSCWWXKWRCW-DLBZAZTESA-N 2 1 306.494 3.329 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000663105416 436414056 /nfs/dbraw/zinc/41/40/56/436414056.db2.gz QNXKYZNOYCMCAU-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP Cc1c[nH+]ccc1OC1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663847745 436518547 /nfs/dbraw/zinc/51/85/47/436518547.db2.gz YFMQZKVGQFSJCB-UHFFFAOYSA-N 2 1 308.385 3.314 20 0 DGADMP Cc1cc(N2CCC[C@@H](Nc3[nH+]ccc4[nH]ccc43)C2)nc(C)[nH+]1 ZINC000663556572 436477770 /nfs/dbraw/zinc/47/77/70/436477770.db2.gz GAEIRDDQBHRBNI-CQSZACIVSA-N 2 1 322.416 3.051 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000660005773 436578879 /nfs/dbraw/zinc/57/88/79/436578879.db2.gz NBAKYVYRJXPIFH-HKUYNNGSSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660005773 436578881 /nfs/dbraw/zinc/57/88/81/436578881.db2.gz NBAKYVYRJXPIFH-HKUYNNGSSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660005773 436578883 /nfs/dbraw/zinc/57/88/83/436578883.db2.gz NBAKYVYRJXPIFH-HKUYNNGSSA-N 2 1 304.478 3.141 20 0 DGADMP CCc1cc(N2CCC([NH2+]Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000663959668 436533550 /nfs/dbraw/zinc/53/35/50/436533550.db2.gz NWYXTERFMGHSIY-UHFFFAOYSA-N 2 1 310.445 3.106 20 0 DGADMP CC(C)c1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000659836963 436538659 /nfs/dbraw/zinc/53/86/59/436538659.db2.gz AQYKQFDRHZHSGI-UHFFFAOYSA-N 2 1 315.505 3.023 20 0 DGADMP Cc1[nH+]c2c(n1CC[N@@H+](C)Cc1ccc(F)cc1)CCCC2 ZINC000664048510 436551057 /nfs/dbraw/zinc/55/10/57/436551057.db2.gz KBUPZXKSYVRWRK-UHFFFAOYSA-N 2 1 301.409 3.341 20 0 DGADMP Cc1[nH+]c2c(n1CC[N@H+](C)Cc1ccc(F)cc1)CCCC2 ZINC000664048510 436551059 /nfs/dbraw/zinc/55/10/59/436551059.db2.gz KBUPZXKSYVRWRK-UHFFFAOYSA-N 2 1 301.409 3.341 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCCCC1(C)C ZINC000660119149 436592157 /nfs/dbraw/zinc/59/21/57/436592157.db2.gz YEBIFCFLXHSGKP-BSDSXHPESA-N 2 1 308.510 3.386 20 0 DGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C(C)(C)C)c1 ZINC000660145614 436594531 /nfs/dbraw/zinc/59/45/31/436594531.db2.gz UBACOSFRYPURDR-UHFFFAOYSA-N 2 1 317.521 3.053 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343728024 302174860 /nfs/dbraw/zinc/17/48/60/302174860.db2.gz IXXBBLGQQUHKOR-ROUUACIJSA-N 2 1 315.505 3.156 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)cn1 ZINC000528852215 313098188 /nfs/dbraw/zinc/09/81/88/313098188.db2.gz ZROVZXREURSBMX-AEFFLSMTSA-N 2 1 303.450 3.005 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C2CC2)cn1 ZINC000528852215 313098191 /nfs/dbraw/zinc/09/81/91/313098191.db2.gz ZROVZXREURSBMX-AEFFLSMTSA-N 2 1 303.450 3.005 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529531624 313218548 /nfs/dbraw/zinc/21/85/48/313218548.db2.gz OYGXZLOFOPMHCQ-SFHVURJKSA-N 2 1 315.461 3.101 20 0 DGADMP COc1cccc([C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)OC)c1 ZINC000530212434 313339736 /nfs/dbraw/zinc/33/97/36/313339736.db2.gz SCNJFHPEUAKOSB-FHWLQOOXSA-N 2 1 312.413 3.117 20 0 DGADMP Cn1cc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2n1 ZINC000530219465 313341996 /nfs/dbraw/zinc/34/19/96/313341996.db2.gz PQSCMWSDMVUOBF-RBUKOAKNSA-N 2 1 320.440 3.156 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1OC(F)(F)F ZINC000530407379 313366954 /nfs/dbraw/zinc/36/69/54/313366954.db2.gz CZMKLWLINAFKJI-NSHDSACASA-N 2 1 313.323 3.212 20 0 DGADMP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000536866063 313789083 /nfs/dbraw/zinc/78/90/83/313789083.db2.gz XSOJTHGTUXZQPK-MRXNPFEDSA-N 2 1 304.453 3.468 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)cc(C)n1 ZINC000538570065 313868883 /nfs/dbraw/zinc/86/88/83/313868883.db2.gz MHGYPHNRKQSBSD-VQIMIIECSA-N 2 1 319.493 3.389 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000541566219 314023101 /nfs/dbraw/zinc/02/31/01/314023101.db2.gz PEJFBEVMNYYABF-BWPNAZKDSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541914313 314048406 /nfs/dbraw/zinc/04/84/06/314048406.db2.gz QZEZFEFEMYITQW-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCOCC1 ZINC000542826987 314101524 /nfs/dbraw/zinc/10/15/24/314101524.db2.gz QPRBITNDEAUUCH-AYBZRNKSSA-N 2 1 308.510 3.434 20 0 DGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000543014695 314110087 /nfs/dbraw/zinc/11/00/87/314110087.db2.gz IWTAWUBBEHTFNU-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H](C)C1 ZINC000543424271 314132949 /nfs/dbraw/zinc/13/29/49/314132949.db2.gz QHIUKDLQRBLBIK-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H](C)C1 ZINC000543424273 314133185 /nfs/dbraw/zinc/13/31/85/314133185.db2.gz QHIUKDLQRBLBIK-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000543592083 314143395 /nfs/dbraw/zinc/14/33/95/314143395.db2.gz SZDXRCCMMSPCSG-CPZBXZKTSA-N 2 1 320.521 3.292 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503228 314374097 /nfs/dbraw/zinc/37/40/97/314374097.db2.gz JSXKDYYGNSNHKV-QGZVKYPTSA-N 2 1 318.505 3.284 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c2ccccc12 ZINC000547538772 314378752 /nfs/dbraw/zinc/37/87/52/314378752.db2.gz HIWNSOUXXFWMNZ-AWEZNQCLSA-N 2 1 309.413 3.475 20 0 DGADMP COC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000561354877 314965625 /nfs/dbraw/zinc/96/56/25/314965625.db2.gz ROVRAXRXXQTXQO-LNLFQRSKSA-N 2 1 304.478 3.332 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000562955643 315064483 /nfs/dbraw/zinc/06/44/83/315064483.db2.gz FGICFDXMSRHWBD-UGSOOPFHSA-N 2 1 315.461 3.130 20 0 DGADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000562959566 315065364 /nfs/dbraw/zinc/06/53/64/315065364.db2.gz YOSAVTPWHIBUNE-PMACEKPBSA-N 2 1 318.424 3.322 20 0 DGADMP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000563061404 315075671 /nfs/dbraw/zinc/07/56/71/315075671.db2.gz HYGDODVLTNNQKI-SJORKVTESA-N 2 1 301.478 3.175 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(OC(F)F)c1 ZINC000563357062 315106161 /nfs/dbraw/zinc/10/61/61/315106161.db2.gz ZQKSJHKDXHIKKA-LBPRGKRZSA-N 2 1 309.360 3.305 20 0 DGADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccco2)cc1 ZINC000563424134 315114178 /nfs/dbraw/zinc/11/41/78/315114178.db2.gz JTFQBVNMUMJSDV-MPGHIAIKSA-N 2 1 300.402 3.237 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1nc(C(F)(F)F)cs1 ZINC000563653825 315130001 /nfs/dbraw/zinc/13/00/01/315130001.db2.gz BLRVUTPBNSMULW-HTQZYQBOSA-N 2 1 316.352 3.093 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000565137198 315233897 /nfs/dbraw/zinc/23/38/97/315233897.db2.gz XEECCDHRQFEPDU-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000565157549 315235395 /nfs/dbraw/zinc/23/53/95/315235395.db2.gz OFWJBSWPTQLZIP-IAGOWNOFSA-N 2 1 307.482 3.268 20 0 DGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000565157549 315235397 /nfs/dbraw/zinc/23/53/97/315235397.db2.gz OFWJBSWPTQLZIP-IAGOWNOFSA-N 2 1 307.482 3.268 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566089667 315310985 /nfs/dbraw/zinc/31/09/85/315310985.db2.gz GGMIYTXONVOSIG-JLSDUUJJSA-N 2 1 321.896 3.065 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000566170928 315319949 /nfs/dbraw/zinc/31/99/49/315319949.db2.gz WCJOXJANHBYVQQ-SJLPKXTDSA-N 3 1 301.478 3.175 20 0 DGADMP CC(C)(C[NH2+]CCC(=O)Nc1cccc(F)c1)[NH+]1CCCCC1 ZINC000567679920 315440929 /nfs/dbraw/zinc/44/09/29/315440929.db2.gz IWLBLVBUPSZULI-UHFFFAOYSA-N 2 1 321.440 3.008 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574877669 316010682 /nfs/dbraw/zinc/01/06/82/316010682.db2.gz LPGANAVMLWCRRA-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000576238158 316109403 /nfs/dbraw/zinc/10/94/03/316109403.db2.gz WLUXXQOAEGCBKC-CYBMUJFWSA-N 2 1 305.372 3.120 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000576238158 316109406 /nfs/dbraw/zinc/10/94/06/316109406.db2.gz WLUXXQOAEGCBKC-CYBMUJFWSA-N 2 1 305.372 3.120 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000576405193 316126790 /nfs/dbraw/zinc/12/67/90/316126790.db2.gz OQWRRSNVTILGKF-KDOFPFPSSA-N 2 1 322.880 3.154 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000576636230 316151123 /nfs/dbraw/zinc/15/11/23/316151123.db2.gz AKTSPWABALSZPK-UONOGXRCSA-N 2 1 300.377 3.127 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000576636230 316151126 /nfs/dbraw/zinc/15/11/26/316151126.db2.gz AKTSPWABALSZPK-UONOGXRCSA-N 2 1 300.377 3.127 20 0 DGADMP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000576695387 316157603 /nfs/dbraw/zinc/15/76/03/316157603.db2.gz NIWQLJODVHDOQU-QRVBRYPASA-N 2 1 302.462 3.011 20 0 DGADMP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000576696731 316158067 /nfs/dbraw/zinc/15/80/67/316158067.db2.gz PAPUBGTWEVILBO-HOTGVXAUSA-N 2 1 304.478 3.310 20 0 DGADMP COc1cc(C)ccc1[C@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000576895587 316180134 /nfs/dbraw/zinc/18/01/34/316180134.db2.gz CECGPTKGDBADMJ-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000576895587 316180137 /nfs/dbraw/zinc/18/01/37/316180137.db2.gz CECGPTKGDBADMJ-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000576895587 316180141 /nfs/dbraw/zinc/18/01/41/316180141.db2.gz CECGPTKGDBADMJ-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000576895587 316180145 /nfs/dbraw/zinc/18/01/45/316180145.db2.gz CECGPTKGDBADMJ-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577289943 316221311 /nfs/dbraw/zinc/22/13/11/316221311.db2.gz WAWJGUATHHJXFG-OAHLLOKOSA-N 2 1 306.413 3.446 20 0 DGADMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000578132722 316306272 /nfs/dbraw/zinc/30/62/72/316306272.db2.gz UIGZAKWZIGUVQU-ZWKOTPCHSA-N 2 1 316.489 3.360 20 0 DGADMP C[N@@H+](Cc1cccc2nccn21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000180322732 323226936 /nfs/dbraw/zinc/22/69/36/323226936.db2.gz FWMNTJITCWWROO-GOSISDBHSA-N 2 1 320.440 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000181808939 323270455 /nfs/dbraw/zinc/27/04/55/323270455.db2.gz HMSFKQZLLXGAQX-DLBZAZTESA-N 2 1 307.482 3.401 20 0 DGADMP CC[NH+](CC)CCCC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000182744099 323310684 /nfs/dbraw/zinc/31/06/84/323310684.db2.gz LMTQNCMQEDOFDK-UHFFFAOYSA-N 2 1 309.542 3.306 20 0 DGADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C2CCCCC2)n1 ZINC000183047205 323322029 /nfs/dbraw/zinc/32/20/29/323322029.db2.gz JTBKFZHXVUUDJU-UHFFFAOYSA-N 2 1 318.509 3.241 20 0 DGADMP Cc1cnc([C@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)s1 ZINC000185362142 323388220 /nfs/dbraw/zinc/38/82/20/323388220.db2.gz JVOGWDYDOJJYCP-OAHLLOKOSA-N 2 1 304.463 3.478 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000578617057 323758630 /nfs/dbraw/zinc/75/86/30/323758630.db2.gz OXKDDIPDMQBWNS-CYBMUJFWSA-N 2 1 301.356 3.067 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581548434 324128878 /nfs/dbraw/zinc/12/88/78/324128878.db2.gz HOMFIUWXPIGHNV-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581548434 324128879 /nfs/dbraw/zinc/12/88/79/324128879.db2.gz HOMFIUWXPIGHNV-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP Cn1cncc1CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000581556067 324130667 /nfs/dbraw/zinc/13/06/67/324130667.db2.gz NSFBATYTMNXAQX-UHFFFAOYSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000581556067 324130672 /nfs/dbraw/zinc/13/06/72/324130672.db2.gz NSFBATYTMNXAQX-UHFFFAOYSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000581556067 324130675 /nfs/dbraw/zinc/13/06/75/324130675.db2.gz NSFBATYTMNXAQX-UHFFFAOYSA-N 2 1 301.409 3.199 20 0 DGADMP CC(C)(C[NH2+]Cc1cnc(-c2ccccc2)nc1)C[NH+]1CCCC1 ZINC000581583021 324133058 /nfs/dbraw/zinc/13/30/58/324133058.db2.gz ALVLKXFBBVCDHR-UHFFFAOYSA-N 2 1 324.472 3.355 20 0 DGADMP COCCC[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041643 324181249 /nfs/dbraw/zinc/18/12/49/324181249.db2.gz QXTUKURGNXNKEW-QAPCUYQASA-N 2 1 308.441 3.225 20 0 DGADMP COCCC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041643 324181253 /nfs/dbraw/zinc/18/12/53/324181253.db2.gz QXTUKURGNXNKEW-QAPCUYQASA-N 2 1 308.441 3.225 20 0 DGADMP C[C@H](c1ccc(F)cc1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000582368757 324222043 /nfs/dbraw/zinc/22/20/43/324222043.db2.gz QOSOQTOYNONJJT-HUUCEWRRSA-N 2 1 306.425 3.072 20 0 DGADMP C[C@H](c1ccc(F)cc1)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000582368757 324222045 /nfs/dbraw/zinc/22/20/45/324222045.db2.gz QOSOQTOYNONJJT-HUUCEWRRSA-N 2 1 306.425 3.072 20 0 DGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1cccc(OC)c1 ZINC000582495113 324237213 /nfs/dbraw/zinc/23/72/13/324237213.db2.gz XSSDOVSCTOUFMF-HNNXBMFYSA-N 2 1 301.434 3.444 20 0 DGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1cccc(OC)c1 ZINC000582495113 324237218 /nfs/dbraw/zinc/23/72/18/324237218.db2.gz XSSDOVSCTOUFMF-HNNXBMFYSA-N 2 1 301.434 3.444 20 0 DGADMP CCCOc1c(Cl)cc(C[N@H+](C)CCC[NH3+])cc1OCC ZINC000583564401 324370145 /nfs/dbraw/zinc/37/01/45/324370145.db2.gz OJIDSOOQSVJMBL-UHFFFAOYSA-N 2 1 314.857 3.308 20 0 DGADMP CCCOc1c(Cl)cc(C[N@@H+](C)CCC[NH3+])cc1OCC ZINC000583564401 324370148 /nfs/dbraw/zinc/37/01/48/324370148.db2.gz OJIDSOOQSVJMBL-UHFFFAOYSA-N 2 1 314.857 3.308 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665343 337380141 /nfs/dbraw/zinc/38/01/41/337380141.db2.gz JAZWGVBEBUOTGG-PPLKHSGQSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665343 337380142 /nfs/dbraw/zinc/38/01/42/337380142.db2.gz JAZWGVBEBUOTGG-PPLKHSGQSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665343 337380143 /nfs/dbraw/zinc/38/01/43/337380143.db2.gz JAZWGVBEBUOTGG-PPLKHSGQSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1[NH3+] ZINC000430937837 533948212 /nfs/dbraw/zinc/94/82/12/533948212.db2.gz FQYIHBCFOQETEV-DOTOQJQBSA-N 2 1 320.440 3.170 20 0 DGADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415043961 534187564 /nfs/dbraw/zinc/18/75/64/534187564.db2.gz RTDJOMCQAFWVDZ-INIZCTEOSA-N 2 1 316.470 3.192 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000165237096 534341515 /nfs/dbraw/zinc/34/15/15/534341515.db2.gz YSTLONQEWWKBOG-SFHVURJKSA-N 2 1 319.493 3.278 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000165237096 534341521 /nfs/dbraw/zinc/34/15/21/534341521.db2.gz YSTLONQEWWKBOG-SFHVURJKSA-N 2 1 319.493 3.278 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000305755575 534398997 /nfs/dbraw/zinc/39/89/97/534398997.db2.gz AMHNLOCXOWISHF-MJGOQNOKSA-N 2 1 320.452 3.030 20 0 DGADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415085284 534535854 /nfs/dbraw/zinc/53/58/54/534535854.db2.gz PTWOWLVCRCNQMP-HKUYNNGSSA-N 2 1 320.440 3.119 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000163284884 521717564 /nfs/dbraw/zinc/71/75/64/521717564.db2.gz PQJVQSLXBCCMRE-UONOGXRCSA-N 2 1 308.491 3.410 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000154529207 522579465 /nfs/dbraw/zinc/57/94/65/522579465.db2.gz QQUDUJBHJFQZPQ-IBGZPJMESA-N 2 1 321.484 3.284 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430955479 534691771 /nfs/dbraw/zinc/69/17/71/534691771.db2.gz ANTHTUCDDQKXQE-QGZVFWFLSA-N 2 1 310.441 3.073 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000157121146 524480304 /nfs/dbraw/zinc/48/03/04/524480304.db2.gz VKMRLYPHHWUYCM-LZWOXQAQSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000157121146 524480309 /nfs/dbraw/zinc/48/03/09/524480309.db2.gz VKMRLYPHHWUYCM-LZWOXQAQSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1ccccc1-c1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415117844 534791943 /nfs/dbraw/zinc/79/19/43/534791943.db2.gz XGLWGAJKUUWKJU-IBGZPJMESA-N 2 1 310.441 3.212 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000163274541 527394827 /nfs/dbraw/zinc/39/48/27/527394827.db2.gz IDLCXMJTQWRTMG-SJORKVTESA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000163274541 527394831 /nfs/dbraw/zinc/39/48/31/527394831.db2.gz IDLCXMJTQWRTMG-SJORKVTESA-N 2 1 317.433 3.153 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433296611 528112426 /nfs/dbraw/zinc/11/24/26/528112426.db2.gz ITZGOWIELJWIDS-SFHVURJKSA-N 2 1 304.478 3.212 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292872541 528175227 /nfs/dbraw/zinc/17/52/27/528175227.db2.gz SNWZQNGBPXXQIY-DOTOQJQBSA-N 2 1 316.445 3.130 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292872541 528175229 /nfs/dbraw/zinc/17/52/29/528175229.db2.gz SNWZQNGBPXXQIY-DOTOQJQBSA-N 2 1 316.445 3.130 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060114 528198190 /nfs/dbraw/zinc/19/81/90/528198190.db2.gz ODKJNIOYZLRFCE-JKSUJKDBSA-N 2 1 317.477 3.198 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060110 528198339 /nfs/dbraw/zinc/19/83/39/528198339.db2.gz ODKJNIOYZLRFCE-CVEARBPZSA-N 2 1 317.477 3.198 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780656 528251212 /nfs/dbraw/zinc/25/12/12/528251212.db2.gz LUPBWIOYSUGQEB-IRXDYDNUSA-N 2 1 302.462 3.295 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000305833578 528254150 /nfs/dbraw/zinc/25/41/50/528254150.db2.gz OUHIRQYDAMITOE-HXUWFJFHSA-N 2 1 316.489 3.123 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000305833578 528254153 /nfs/dbraw/zinc/25/41/53/528254153.db2.gz OUHIRQYDAMITOE-HXUWFJFHSA-N 2 1 316.489 3.123 20 0 DGADMP CCOc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435388713 528262287 /nfs/dbraw/zinc/26/22/87/528262287.db2.gz GVOANVYIDKLAGB-MRXNPFEDSA-N 2 1 306.450 3.058 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(OC)c(OC)c1 ZINC000444573590 528450470 /nfs/dbraw/zinc/45/04/70/528450470.db2.gz NQYKCBZHBMFCSH-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(OC)c(OC)c1 ZINC000444573590 528450474 /nfs/dbraw/zinc/45/04/74/528450474.db2.gz NQYKCBZHBMFCSH-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000442718992 528467335 /nfs/dbraw/zinc/46/73/35/528467335.db2.gz PJUCACQBRBNRBM-FOIQADDNSA-N 2 1 311.473 3.345 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297636843 528474498 /nfs/dbraw/zinc/47/44/98/528474498.db2.gz MIIWMFULBAICDD-UHFFFAOYSA-N 2 1 322.880 3.498 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430581567 528509943 /nfs/dbraw/zinc/50/99/43/528509943.db2.gz UKKATADSOAYUBQ-INIZCTEOSA-N 2 1 305.397 3.286 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430581567 528509945 /nfs/dbraw/zinc/50/99/45/528509945.db2.gz UKKATADSOAYUBQ-INIZCTEOSA-N 2 1 305.397 3.286 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435446617 528625178 /nfs/dbraw/zinc/62/51/78/528625178.db2.gz KZEHLSRNGLIUDZ-INIZCTEOSA-N 2 1 306.450 3.058 20 0 DGADMP CCOCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697837 528660045 /nfs/dbraw/zinc/66/00/45/528660045.db2.gz ZQUBMBBWHSEOFU-MRXNPFEDSA-N 2 1 308.491 3.119 20 0 DGADMP CCCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435390758 528660565 /nfs/dbraw/zinc/66/05/65/528660565.db2.gz QCZZGDGUDKTLBR-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000435373309 528673412 /nfs/dbraw/zinc/67/34/12/528673412.db2.gz DKZJRVHCVWFCCT-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000435373309 528673415 /nfs/dbraw/zinc/67/34/15/528673415.db2.gz DKZJRVHCVWFCCT-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP CC[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435392775 528795230 /nfs/dbraw/zinc/79/52/30/528795230.db2.gz XOXXVLKHFQLXFD-OAHLLOKOSA-N 2 1 312.404 3.295 20 0 DGADMP CC[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435392774 528796236 /nfs/dbraw/zinc/79/62/36/528796236.db2.gz XOXXVLKHFQLXFD-HNNXBMFYSA-N 2 1 312.404 3.295 20 0 DGADMP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000293091717 528977416 /nfs/dbraw/zinc/97/74/16/528977416.db2.gz XDCFISMDRJQATB-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP CCCCc1oc2ccccc2c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415044066 529066453 /nfs/dbraw/zinc/06/64/53/529066453.db2.gz RYYXAEGNJBAGDK-OAHLLOKOSA-N 2 1 316.445 3.244 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H]4CCC[C@H]43)sc2C1 ZINC000428463039 529084819 /nfs/dbraw/zinc/08/48/19/529084819.db2.gz VHCMQCWZUFFECQ-UKRRQHHQSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H]4CCC[C@H]43)sc2C1 ZINC000428463039 529084822 /nfs/dbraw/zinc/08/48/22/529084822.db2.gz VHCMQCWZUFFECQ-UKRRQHHQSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H]4CCC[C@H]43)sc2C1 ZINC000428463039 529084829 /nfs/dbraw/zinc/08/48/29/529084829.db2.gz VHCMQCWZUFFECQ-UKRRQHHQSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H]4CCC[C@H]43)sc2C1 ZINC000428463039 529084834 /nfs/dbraw/zinc/08/48/34/529084834.db2.gz VHCMQCWZUFFECQ-UKRRQHHQSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H]4CCC[C@H]43)sc2C1 ZINC000428463034 529085488 /nfs/dbraw/zinc/08/54/88/529085488.db2.gz VHCMQCWZUFFECQ-DZGCQCFKSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H]4CCC[C@H]43)sc2C1 ZINC000428463034 529085493 /nfs/dbraw/zinc/08/54/93/529085493.db2.gz VHCMQCWZUFFECQ-DZGCQCFKSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)sc2C1 ZINC000428463034 529085499 /nfs/dbraw/zinc/08/54/99/529085499.db2.gz VHCMQCWZUFFECQ-DZGCQCFKSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H]4CCC[C@H]43)sc2C1 ZINC000428463034 529085504 /nfs/dbraw/zinc/08/55/04/529085504.db2.gz VHCMQCWZUFFECQ-DZGCQCFKSA-N 2 1 305.491 3.284 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000470181510 535526135 /nfs/dbraw/zinc/52/61/35/535526135.db2.gz DGVGWHIFDUQZKU-RDJZCZTQSA-N 2 1 322.468 3.334 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490053862 536354494 /nfs/dbraw/zinc/35/44/94/536354494.db2.gz ATLYEUDOAWVPMT-RBUKOAKNSA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490053862 536354495 /nfs/dbraw/zinc/35/44/95/536354495.db2.gz ATLYEUDOAWVPMT-RBUKOAKNSA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490053862 536354499 /nfs/dbraw/zinc/35/44/99/536354499.db2.gz ATLYEUDOAWVPMT-RBUKOAKNSA-N 2 1 301.478 3.437 20 0 DGADMP CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc1 ZINC000088505888 545809519 /nfs/dbraw/zinc/80/95/19/545809519.db2.gz HGVWUFNZDNVOIG-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000089516735 545816677 /nfs/dbraw/zinc/81/66/77/545816677.db2.gz OUTCWUTYEWIOCW-IAGOWNOFSA-N 2 1 302.462 3.189 20 0 DGADMP C[N@H+](Cc1ccc(Br)cc1F)CC1CC[NH2+]CC1 ZINC000094010942 545859798 /nfs/dbraw/zinc/85/97/98/545859798.db2.gz DJEKTIVCUNRFQK-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CCC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000119680594 545881646 /nfs/dbraw/zinc/88/16/46/545881646.db2.gz HSZASTCOTDJAIS-IAGOWNOFSA-N 3 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000119680594 545881649 /nfs/dbraw/zinc/88/16/49/545881649.db2.gz HSZASTCOTDJAIS-IAGOWNOFSA-N 3 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+](CC)CC)CC1 ZINC000120701321 545889856 /nfs/dbraw/zinc/88/98/56/545889856.db2.gz VMZAOEVDCQIVBG-UHFFFAOYSA-N 3 1 317.521 3.492 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000132151562 545962007 /nfs/dbraw/zinc/96/20/07/545962007.db2.gz BGOXUHZDFBMYQH-UHFFFAOYSA-N 2 1 317.502 3.019 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000161649092 546071416 /nfs/dbraw/zinc/07/14/16/546071416.db2.gz ADOOUUWXLMCXEK-QRVBRYPASA-N 2 1 316.489 3.479 20 0 DGADMP CCCN1CCC([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000163574486 546083257 /nfs/dbraw/zinc/08/32/57/546083257.db2.gz WRGVDYRMKRHHRI-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000166737665 546096811 /nfs/dbraw/zinc/09/68/11/546096811.db2.gz IMGDAVNNWCGIBW-FVQBIDKESA-N 2 1 308.853 3.324 20 0 DGADMP Cc1cc(N(C)C2CC[NH+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000189401141 546211598 /nfs/dbraw/zinc/21/15/98/546211598.db2.gz MVWXCRFKDPQMTP-UHFFFAOYSA-N 2 1 310.445 3.194 20 0 DGADMP Cc1cccc([C@H](CNc2cc[nH+]cc2C)[NH+]2CCOCC2)c1 ZINC000191978820 546228361 /nfs/dbraw/zinc/22/83/61/546228361.db2.gz MWMQYKQRSFHOBE-IBGZPJMESA-N 2 1 311.429 3.184 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2C[C@H]4CC[C@@H]2O4)C3)cc1 ZINC000249036232 546323836 /nfs/dbraw/zinc/32/38/36/546323836.db2.gz SRHNRUBWMOBFRC-FFDFYAMSSA-N 2 1 312.457 3.092 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000280245511 546380459 /nfs/dbraw/zinc/38/04/59/546380459.db2.gz WESLYLKCRUQKJG-KRWDZBQOSA-N 2 1 318.461 3.154 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1-c1ccccc1 ZINC000281170349 546386345 /nfs/dbraw/zinc/38/63/45/546386345.db2.gz HRIQUABVSHANCB-INIZCTEOSA-N 2 1 324.472 3.397 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337380537 546519424 /nfs/dbraw/zinc/51/94/24/546519424.db2.gz IYWSYGGLQJZMSM-CVEARBPZSA-N 2 1 322.493 3.263 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccnn1-c1ccccc1)C[NH+]1CCCC1 ZINC000343495373 546564894 /nfs/dbraw/zinc/56/48/94/546564894.db2.gz PTELNHDGQJKFEM-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381097673 546737958 /nfs/dbraw/zinc/73/79/58/546737958.db2.gz YTIJVEXNDRYFSB-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000381214774 546739198 /nfs/dbraw/zinc/73/91/98/546739198.db2.gz YEYIQTKFFYZZHI-XLIONFOSSA-N 2 1 318.505 3.344 20 0 DGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000414292927 546783279 /nfs/dbraw/zinc/78/32/79/546783279.db2.gz BFEYGKVLYCPMQN-SZMVWBNQSA-N 2 1 302.462 3.369 20 0 DGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000414292927 546783284 /nfs/dbraw/zinc/78/32/84/546783284.db2.gz BFEYGKVLYCPMQN-SZMVWBNQSA-N 2 1 302.462 3.369 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000414933147 546791329 /nfs/dbraw/zinc/79/13/29/546791329.db2.gz WSJXEJZZRPTEIH-IUCAKERBSA-N 2 1 319.193 3.087 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426148171 546810379 /nfs/dbraw/zinc/81/03/79/546810379.db2.gz JYOYRJTVFAKNJG-HUUCEWRRSA-N 2 1 308.466 3.042 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](C)[C@H](c3ccccc3)C1)C2 ZINC000453378989 546859700 /nfs/dbraw/zinc/85/97/00/546859700.db2.gz ZWZOSNQYJZWRLE-BGVWBIDGSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453378989 546859704 /nfs/dbraw/zinc/85/97/04/546859704.db2.gz ZWZOSNQYJZWRLE-BGVWBIDGSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453378989 546859709 /nfs/dbraw/zinc/85/97/09/546859709.db2.gz ZWZOSNQYJZWRLE-BGVWBIDGSA-N 2 1 313.489 3.037 20 0 DGADMP CN1CCC([N@@H+](CCO)Cc2cccc(C3CCCC3)c2)CC1 ZINC000667464320 547190617 /nfs/dbraw/zinc/19/06/17/547190617.db2.gz NVWJFSGEZKDTJJ-UHFFFAOYSA-N 2 1 316.489 3.233 20 0 DGADMP COCc1csc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000667658628 547262567 /nfs/dbraw/zinc/26/25/67/547262567.db2.gz LPNFCEKOPZSWEK-MRXNPFEDSA-N 2 1 308.491 3.345 20 0 DGADMP COCc1csc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000667658628 547262571 /nfs/dbraw/zinc/26/25/71/547262571.db2.gz LPNFCEKOPZSWEK-MRXNPFEDSA-N 2 1 308.491 3.345 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000667666825 547267375 /nfs/dbraw/zinc/26/73/75/547267375.db2.gz YYKHVHRKMVYETM-CJNGLKHVSA-N 2 1 303.475 3.458 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000667666825 547267367 /nfs/dbraw/zinc/26/73/67/547267367.db2.gz YYKHVHRKMVYETM-CJNGLKHVSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000667666825 547267370 /nfs/dbraw/zinc/26/73/70/547267370.db2.gz YYKHVHRKMVYETM-CJNGLKHVSA-N 2 1 303.475 3.458 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000667667150 547267912 /nfs/dbraw/zinc/26/79/12/547267912.db2.gz GJIHBGCUFLRUNP-XYJFISCASA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000667667150 547267920 /nfs/dbraw/zinc/26/79/20/547267920.db2.gz GJIHBGCUFLRUNP-XYJFISCASA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000667667150 547267922 /nfs/dbraw/zinc/26/79/22/547267922.db2.gz GJIHBGCUFLRUNP-XYJFISCASA-N 2 1 320.477 3.015 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667673256 547270114 /nfs/dbraw/zinc/27/01/14/547270114.db2.gz WFGNKESPPGHGPO-CQSZACIVSA-N 2 1 303.475 3.460 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667673256 547270120 /nfs/dbraw/zinc/27/01/20/547270120.db2.gz WFGNKESPPGHGPO-CQSZACIVSA-N 2 1 303.475 3.460 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000667890052 547328173 /nfs/dbraw/zinc/32/81/73/547328173.db2.gz VAMDYVKBPVRFFB-XLNTUCKNSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000667890052 547328178 /nfs/dbraw/zinc/32/81/78/547328178.db2.gz VAMDYVKBPVRFFB-XLNTUCKNSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CO[C@H](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000667892320 547328286 /nfs/dbraw/zinc/32/82/86/547328286.db2.gz MQWGKEWGTFTDRF-LZQZEXGQSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667947206 547343687 /nfs/dbraw/zinc/34/36/87/547343687.db2.gz JIRSEXOMAUZJAP-MVJPYGJCSA-N 2 1 314.473 3.054 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc3ccncc3s2)CC1 ZINC000668027483 547363879 /nfs/dbraw/zinc/36/38/79/547363879.db2.gz KDAOJTGQNFFRKQ-UHFFFAOYSA-N 2 1 301.459 3.357 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C)n2C)CC1)CC(C)C ZINC000668168459 547399584 /nfs/dbraw/zinc/39/95/84/547399584.db2.gz YHNLNQINDMFCGJ-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP CCCC[N@@H+](Cc1cnc(C)n1C)[C@H]1CCc2ncsc2C1 ZINC000668279075 547434837 /nfs/dbraw/zinc/43/48/37/547434837.db2.gz UPIZMUNBERFYEA-AWEZNQCLSA-N 2 1 318.490 3.345 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000668593174 547487358 /nfs/dbraw/zinc/48/73/58/547487358.db2.gz XSKDEMJZHPNOBW-OAHLLOKOSA-N 2 1 302.397 3.147 20 0 DGADMP CCC[N@H+]1CC[C@H](NCc2nc(C(C)C)n3ccccc23)C1 ZINC000668683348 547508419 /nfs/dbraw/zinc/50/84/19/547508419.db2.gz VLLLWSLZIMFNCH-HNNXBMFYSA-N 2 1 300.450 3.032 20 0 DGADMP CCC[N@H+]1CC[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000668683348 547508425 /nfs/dbraw/zinc/50/84/25/547508425.db2.gz VLLLWSLZIMFNCH-HNNXBMFYSA-N 2 1 300.450 3.032 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000668784437 547540268 /nfs/dbraw/zinc/54/02/68/547540268.db2.gz CREJSRLBZOIUDI-SFHVURJKSA-N 2 1 304.478 3.007 20 0 DGADMP FC(F)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000669614957 547661404 /nfs/dbraw/zinc/66/14/04/547661404.db2.gz FSUJXDKJBQTSGA-XUJLQICISA-N 2 1 316.436 3.043 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1Oc1ccccc1 ZINC000671294808 547784609 /nfs/dbraw/zinc/78/46/09/547784609.db2.gz FLNPLHTWBXGXQM-JFRXWTBNSA-N 2 1 314.473 3.449 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739571 547820936 /nfs/dbraw/zinc/82/09/36/547820936.db2.gz CBMXSNOIBGYMRR-KBPBESRZSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739571 547820940 /nfs/dbraw/zinc/82/09/40/547820940.db2.gz CBMXSNOIBGYMRR-KBPBESRZSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739573 547821232 /nfs/dbraw/zinc/82/12/32/547821232.db2.gz CBMXSNOIBGYMRR-UONOGXRCSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739573 547821235 /nfs/dbraw/zinc/82/12/35/547821235.db2.gz CBMXSNOIBGYMRR-UONOGXRCSA-N 2 1 317.433 3.449 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000671744543 547822981 /nfs/dbraw/zinc/82/29/81/547822981.db2.gz JFGQBVCYIUWWMG-JQHSSLGASA-N 2 1 316.489 3.435 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000671747414 547824124 /nfs/dbraw/zinc/82/41/24/547824124.db2.gz QRAXYGMJVCHQAO-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880226 548282996 /nfs/dbraw/zinc/28/29/96/548282996.db2.gz CDINWIBXPKURSQ-NJAFHUGGSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675881168 548283471 /nfs/dbraw/zinc/28/34/71/548283471.db2.gz KFFHDCFOCHLKIU-VQIMIIECSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882322 548284478 /nfs/dbraw/zinc/28/44/78/548284478.db2.gz QRHGSRFSUZJCIR-FXAWDEMLSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882323 548285067 /nfs/dbraw/zinc/28/50/67/548285067.db2.gz QRHGSRFSUZJCIR-PXNSSMCTSA-N 2 1 316.489 3.241 20 0 DGADMP c1ccc2cc(OCC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000677236901 548472683 /nfs/dbraw/zinc/47/26/83/548472683.db2.gz VZXSZOIKLIVFEX-RTBURBONSA-N 2 1 310.441 3.435 20 0 DGADMP FC(F)(F)c1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677236823 548473013 /nfs/dbraw/zinc/47/30/13/548473013.db2.gz JGRFHBPMGCHQIB-LSDHHAIUSA-N 2 1 312.379 3.464 20 0 DGADMP c1ccc2c(c1)cccc2OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238170 548474251 /nfs/dbraw/zinc/47/42/51/548474251.db2.gz WHRWZKGCGRHNRC-MSOLQXFVSA-N 2 1 310.441 3.435 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073245 548607665 /nfs/dbraw/zinc/60/76/65/548607665.db2.gz OIWYXSSZKGIDHD-LJQANCHMSA-N 3 1 307.526 3.059 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073245 548607669 /nfs/dbraw/zinc/60/76/69/548607669.db2.gz OIWYXSSZKGIDHD-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073245 548607674 /nfs/dbraw/zinc/60/76/74/548607674.db2.gz OIWYXSSZKGIDHD-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C1CC1 ZINC000678338515 548680926 /nfs/dbraw/zinc/68/09/26/548680926.db2.gz DFJPTQMTQSTNSX-HOJAQTOUSA-N 2 1 314.473 3.248 20 0 DGADMP Cc1c(F)cccc1-c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000678342709 548682504 /nfs/dbraw/zinc/68/25/04/548682504.db2.gz DLRJVNVHDRZAHW-ZIAGYGMSSA-N 2 1 300.377 3.045 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678342763 548683990 /nfs/dbraw/zinc/68/39/90/548683990.db2.gz GXLVOIXFJMARIQ-HDICACEKSA-N 2 1 307.441 3.106 20 0 DGADMP Fc1ccccc1-c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000678342976 548684468 /nfs/dbraw/zinc/68/44/68/548684468.db2.gz JNBPNPXUQNUYGK-CHWSQXEVSA-N 2 1 302.418 3.205 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000678415953 548698317 /nfs/dbraw/zinc/69/83/17/548698317.db2.gz ZCZYKNJBMUHDJE-IXDOHACOSA-N 2 1 319.493 3.238 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678992382 548807397 /nfs/dbraw/zinc/80/73/97/548807397.db2.gz HATMSJSDLPLTQX-OAHLLOKOSA-N 2 1 319.518 3.186 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336325 548880791 /nfs/dbraw/zinc/88/07/91/548880791.db2.gz LLECVRPFEJCAJG-PKOBYXMFSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000679342296 548881428 /nfs/dbraw/zinc/88/14/28/548881428.db2.gz AYJRLONEWVNWGQ-IRXDYDNUSA-N 2 1 304.478 3.353 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1F ZINC000679361678 548886159 /nfs/dbraw/zinc/88/61/59/548886159.db2.gz UOJUJLJJCHQMLM-QFBILLFUSA-N 2 1 320.452 3.341 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1F ZINC000679361678 548886161 /nfs/dbraw/zinc/88/61/61/548886161.db2.gz UOJUJLJJCHQMLM-QFBILLFUSA-N 2 1 320.452 3.341 20 0 DGADMP OC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000679393666 548892640 /nfs/dbraw/zinc/89/26/40/548892640.db2.gz CVBCPKKSFNQIBN-REPLKXPHSA-N 2 1 314.473 3.077 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000679396994 548893033 /nfs/dbraw/zinc/89/30/33/548893033.db2.gz XSHLCRJCTBNZKO-GOSISDBHSA-N 2 1 302.462 3.336 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000679396994 548893038 /nfs/dbraw/zinc/89/30/38/548893038.db2.gz XSHLCRJCTBNZKO-GOSISDBHSA-N 2 1 302.462 3.336 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000679573613 548919074 /nfs/dbraw/zinc/91/90/74/548919074.db2.gz AFVZTSRTNYQQIA-YSIASYRMSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3cnccc32)C1 ZINC000679990383 548976095 /nfs/dbraw/zinc/97/60/95/548976095.db2.gz PACQLWRFANPZOM-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000679990383 548976099 /nfs/dbraw/zinc/97/60/99/548976099.db2.gz PACQLWRFANPZOM-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000679990383 548976103 /nfs/dbraw/zinc/97/61/03/548976103.db2.gz PACQLWRFANPZOM-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680478318 549057984 /nfs/dbraw/zinc/05/79/84/549057984.db2.gz NBDAXQNOXSQVKA-MRXNPFEDSA-N 2 1 313.445 3.215 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000681412945 549205615 /nfs/dbraw/zinc/20/56/15/549205615.db2.gz WDCSHZILDFOLOZ-MSOLQXFVSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000681412945 549205617 /nfs/dbraw/zinc/20/56/17/549205617.db2.gz WDCSHZILDFOLOZ-MSOLQXFVSA-N 2 1 304.478 3.038 20 0 DGADMP C(C[NH+]1CCCCC1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682028064 549277647 /nfs/dbraw/zinc/27/76/47/549277647.db2.gz XTLKOCYUMYTCNI-UHFFFAOYSA-N 3 1 321.553 3.450 20 0 DGADMP CCCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000683343926 549471098 /nfs/dbraw/zinc/47/10/98/549471098.db2.gz CCJTUQUOHNPMLQ-QGZVFWFLSA-N 2 1 304.478 3.230 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345870 549471904 /nfs/dbraw/zinc/47/19/04/549471904.db2.gz MVBKHMPEEIISIV-UGSOOPFHSA-N 2 1 324.415 3.043 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345870 549471906 /nfs/dbraw/zinc/47/19/06/549471906.db2.gz MVBKHMPEEIISIV-UGSOOPFHSA-N 2 1 324.415 3.043 20 0 DGADMP Fc1cccc(Oc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000683700103 549521519 /nfs/dbraw/zinc/52/15/19/549521519.db2.gz JQCAPTVQHCUOLA-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP Fc1cccc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000683700103 549521525 /nfs/dbraw/zinc/52/15/25/549521525.db2.gz JQCAPTVQHCUOLA-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773373 549691571 /nfs/dbraw/zinc/69/15/71/549691571.db2.gz KKRXEQSKSLUSFW-QFBILLFUSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773373 549691574 /nfs/dbraw/zinc/69/15/74/549691574.db2.gz KKRXEQSKSLUSFW-QFBILLFUSA-N 2 1 307.526 3.103 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(C)c1O ZINC000685420464 549756512 /nfs/dbraw/zinc/75/65/12/549756512.db2.gz YMGICPBWJBARBU-IEBWSBKVSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(C)c1O ZINC000685420464 549756515 /nfs/dbraw/zinc/75/65/15/549756515.db2.gz YMGICPBWJBARBU-IEBWSBKVSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)c1O ZINC000685420464 549756518 /nfs/dbraw/zinc/75/65/18/549756518.db2.gz YMGICPBWJBARBU-IEBWSBKVSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000685421689 549756677 /nfs/dbraw/zinc/75/66/77/549756677.db2.gz AEJNKBOQSQIVLU-XYJFISCASA-N 2 1 303.494 3.279 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455716 549762782 /nfs/dbraw/zinc/76/27/82/549762782.db2.gz TUIQCUYAZYSHSH-HBFSDRIKSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455716 549762783 /nfs/dbraw/zinc/76/27/83/549762783.db2.gz TUIQCUYAZYSHSH-HBFSDRIKSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455716 549762784 /nfs/dbraw/zinc/76/27/84/549762784.db2.gz TUIQCUYAZYSHSH-HBFSDRIKSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665186 549787353 /nfs/dbraw/zinc/78/73/53/549787353.db2.gz IFQFYVOKFBOFSK-AZUAARDMSA-N 2 1 318.505 3.429 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000740423863 574933540 /nfs/dbraw/zinc/93/35/40/574933540.db2.gz WKTCTOPPGIEFOL-SJLPKXTDSA-N 2 1 320.477 3.216 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000740423863 574933543 /nfs/dbraw/zinc/93/35/43/574933543.db2.gz WKTCTOPPGIEFOL-SJLPKXTDSA-N 2 1 320.477 3.216 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000743857324 575066175 /nfs/dbraw/zinc/06/61/75/575066175.db2.gz PPXLISUOLSRJFD-UXHICEINSA-N 2 1 318.505 3.095 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000743857324 575066176 /nfs/dbraw/zinc/06/61/76/575066176.db2.gz PPXLISUOLSRJFD-UXHICEINSA-N 2 1 318.505 3.095 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)oc21 ZINC000749287723 575642581 /nfs/dbraw/zinc/64/25/81/575642581.db2.gz NSWLYXACAYPUAX-GJZGRUSLSA-N 2 1 302.418 3.404 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000398072668 575960252 /nfs/dbraw/zinc/96/02/52/575960252.db2.gz ZFCHIRQEJGNIRZ-OXJNMPFZSA-N 2 1 310.441 3.392 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)n1 ZINC000852749269 620645820 /nfs/dbraw/zinc/64/58/20/620645820.db2.gz JWXFVSVHQPHFGX-LSDHHAIUSA-N 2 1 307.869 3.255 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)CC(F)(F)F)s1 ZINC000853096054 620668122 /nfs/dbraw/zinc/66/81/22/620668122.db2.gz LQYHAXPVASBASA-UHFFFAOYSA-N 2 1 309.401 3.273 20 0 DGADMP C[C@H](SC[C@@H]1CCC[NH+]1C)[C@H](C)SC[C@@H]1CCC[N@H+]1C ZINC000917537073 620672863 /nfs/dbraw/zinc/67/28/63/620672863.db2.gz WOWCLSVIVOKZJR-VGWMRTNUSA-N 2 1 316.580 3.418 20 0 DGADMP Cc1cc(CO)cc(NCCCCCCC[NH+]2CCCC2)[nH+]1 ZINC000853230752 620680027 /nfs/dbraw/zinc/68/00/27/620680027.db2.gz CXPAUGOERCFCEX-UHFFFAOYSA-N 2 1 305.466 3.341 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000219578464 617638106 /nfs/dbraw/zinc/63/81/06/617638106.db2.gz YQIJZDOCDYJEDD-UHFFFAOYSA-N 2 1 302.340 3.161 20 0 DGADMP C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000926197371 617843394 /nfs/dbraw/zinc/84/33/94/617843394.db2.gz PNTRJWPMVKCIFU-YOEHRIQHSA-N 2 1 302.418 3.116 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(C2CCC2)c1 ZINC000926276289 617917184 /nfs/dbraw/zinc/91/71/84/617917184.db2.gz VQRBTKOUDWTGFU-OAHLLOKOSA-N 2 1 304.482 3.381 20 0 DGADMP C[N@H+](Cc1cnc(CC(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000891933670 617928407 /nfs/dbraw/zinc/92/84/07/617928407.db2.gz KJNVIOMQFXBTKV-UHFFFAOYSA-N 2 1 321.412 3.022 20 0 DGADMP C[C@]1(Br)C[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892087050 617959102 /nfs/dbraw/zinc/95/91/02/617959102.db2.gz YQRMRPKDNHXCDO-ZNMIVQPWSA-N 2 1 315.299 3.110 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2nccc3c2CCCC3)[C@@H](C)C1 ZINC000892106704 617964253 /nfs/dbraw/zinc/96/42/53/617964253.db2.gz WVBSNKXGJHIIEU-KXBFYZLASA-N 2 1 301.478 3.123 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc3c2CCCC3)[C@@H](C)C1 ZINC000892106704 617964257 /nfs/dbraw/zinc/96/42/57/617964257.db2.gz WVBSNKXGJHIIEU-KXBFYZLASA-N 2 1 301.478 3.123 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc3c2CCCC3)[C@@H](C)C1 ZINC000892106704 617964262 /nfs/dbraw/zinc/96/42/62/617964262.db2.gz WVBSNKXGJHIIEU-KXBFYZLASA-N 2 1 301.478 3.123 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142469 617974266 /nfs/dbraw/zinc/97/42/66/617974266.db2.gz FYFMKCVDCHNNOB-YJBOKZPZSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142469 617974269 /nfs/dbraw/zinc/97/42/69/617974269.db2.gz FYFMKCVDCHNNOB-YJBOKZPZSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@H]1Cc2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142469 617974270 /nfs/dbraw/zinc/97/42/70/617974270.db2.gz FYFMKCVDCHNNOB-YJBOKZPZSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@H]1Cc2cc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142469 617974274 /nfs/dbraw/zinc/97/42/74/617974274.db2.gz FYFMKCVDCHNNOB-YJBOKZPZSA-N 2 1 314.473 3.174 20 0 DGADMP Cc1[nH+]ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000892300878 618013363 /nfs/dbraw/zinc/01/33/63/618013363.db2.gz SYRDTWSZNGVQRC-LLVKDONJSA-N 2 1 321.222 3.260 20 0 DGADMP CCCSC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000892451806 618069186 /nfs/dbraw/zinc/06/91/86/618069186.db2.gz DPMZTFXKCUQZER-INIZCTEOSA-N 2 1 322.518 3.140 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000892608200 618117936 /nfs/dbraw/zinc/11/79/36/618117936.db2.gz NQVRTNIGCWUJCV-LVBITLCTSA-N 2 1 306.400 3.427 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cc(OC)no2)cc1 ZINC000924584956 618131626 /nfs/dbraw/zinc/13/16/26/618131626.db2.gz JMBFICFYGYHVBN-CQSZACIVSA-N 2 1 317.433 3.376 20 0 DGADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000854230914 620787131 /nfs/dbraw/zinc/78/71/31/620787131.db2.gz BSFXRVLDYUUCGL-MNNVXMFVSA-N 2 1 304.478 3.138 20 0 DGADMP Cc1cc(F)ncc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455603 618339631 /nfs/dbraw/zinc/33/96/31/618339631.db2.gz GIJQRXYKZVPGFS-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cc1cc(C)nc2c1CCCC2 ZINC000894477048 618349111 /nfs/dbraw/zinc/34/91/11/618349111.db2.gz XOBSEDZCNXIQRK-UHFFFAOYSA-N 2 1 312.461 3.296 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)nc2c1CCCC2 ZINC000894477048 618349117 /nfs/dbraw/zinc/34/91/17/618349117.db2.gz XOBSEDZCNXIQRK-UHFFFAOYSA-N 2 1 312.461 3.296 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)nc2c1CCCC2 ZINC000894477048 618349121 /nfs/dbraw/zinc/34/91/21/618349121.db2.gz XOBSEDZCNXIQRK-UHFFFAOYSA-N 2 1 312.461 3.296 20 0 DGADMP Cc1nn(C(C)C)c(C)c1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000892944294 618361720 /nfs/dbraw/zinc/36/17/20/618361720.db2.gz OOOOWUVLCBIMJC-KRWDZBQOSA-N 2 1 306.498 3.291 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000892944294 618361724 /nfs/dbraw/zinc/36/17/24/618361724.db2.gz OOOOWUVLCBIMJC-KRWDZBQOSA-N 2 1 306.498 3.291 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000892944294 618361732 /nfs/dbraw/zinc/36/17/32/618361732.db2.gz OOOOWUVLCBIMJC-KRWDZBQOSA-N 2 1 306.498 3.291 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)[C@@H]1c1cccs1 ZINC000893019029 618393737 /nfs/dbraw/zinc/39/37/37/618393737.db2.gz IRKNWKJJNAIRFH-JYDDWQFKSA-N 2 1 322.518 3.414 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)[C@@H]1c1cccs1 ZINC000893019029 618393741 /nfs/dbraw/zinc/39/37/41/618393741.db2.gz IRKNWKJJNAIRFH-JYDDWQFKSA-N 2 1 322.518 3.414 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)[C@H](C)C1 ZINC000925078028 618421670 /nfs/dbraw/zinc/42/16/70/618421670.db2.gz IRSKNYNKWIICFG-AEFFLSMTSA-N 2 1 308.510 3.436 20 0 DGADMP CC[N@@H+](CCC1CCN(c2cc[nH+]cc2CO)CC1)CC(C)C ZINC000893097688 618424153 /nfs/dbraw/zinc/42/41/53/618424153.db2.gz TYJIIOIASGIFTD-UHFFFAOYSA-N 2 1 319.493 3.158 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000925079718 618457049 /nfs/dbraw/zinc/45/70/49/618457049.db2.gz NEVRYQGGZBIQHZ-PFRQMTDMSA-N 2 1 316.489 3.473 20 0 DGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925631793 618515411 /nfs/dbraw/zinc/51/54/11/618515411.db2.gz KKRCHLSFIUOHCF-SHPPOPEUSA-N 2 1 305.491 3.195 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925636178 618516761 /nfs/dbraw/zinc/51/67/61/618516761.db2.gz ANIUNSPVYQFORZ-QRQLOZEOSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H](N)[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676584 618526723 /nfs/dbraw/zinc/52/67/23/618526723.db2.gz KGRVCLLZKCWWPZ-WBMJQRKESA-N 2 1 323.362 3.321 20 0 DGADMP C[C@H]([NH2+]Cc1cn2ccnc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487755 618570173 /nfs/dbraw/zinc/57/01/73/618570173.db2.gz MRFJMCGPZARZHR-KBPBESRZSA-N 2 1 318.490 3.138 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1OC ZINC000895299952 618590577 /nfs/dbraw/zinc/59/05/77/618590577.db2.gz OTEUVTVAYIQYRS-LBPRGKRZSA-N 2 1 314.857 3.177 20 0 DGADMP C[C@H](CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)[NH+](C)C ZINC000895300552 618591101 /nfs/dbraw/zinc/59/11/01/618591101.db2.gz YXGMCCMUXAXGJN-CQSZACIVSA-N 2 1 320.868 3.015 20 0 DGADMP CC1=NO[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000895305419 618591306 /nfs/dbraw/zinc/59/13/06/618591306.db2.gz SDMFSCRNPLLFBM-MRXNPFEDSA-N 2 1 309.498 3.420 20 0 DGADMP CC[C@H](Cc1cccs1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750568 618594154 /nfs/dbraw/zinc/59/41/54/618594154.db2.gz JLPDPYZCQBPBNF-LLVKDONJSA-N 2 1 307.488 3.043 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000893566709 618603978 /nfs/dbraw/zinc/60/39/78/618603978.db2.gz GLUOYIXCTHCBFO-MOPGFXCFSA-N 2 1 320.452 3.319 20 0 DGADMP CC1(C)CO[C@H](CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925776582 618616129 /nfs/dbraw/zinc/61/61/29/618616129.db2.gz XYZSLHOBJQBKAJ-KSZLIROESA-N 2 1 302.462 3.275 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCCC2 ZINC000925777809 618616544 /nfs/dbraw/zinc/61/65/44/618616544.db2.gz HHTZNTSJHBWJFA-SUMWQHHRSA-N 2 1 308.416 3.461 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Cl)c1 ZINC000925778518 618616734 /nfs/dbraw/zinc/61/67/34/618616734.db2.gz JSSMXTFSAKRLFG-KOLCDFICSA-N 2 1 306.759 3.375 20 0 DGADMP N[C@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806597 618624048 /nfs/dbraw/zinc/62/40/48/618624048.db2.gz FXKGQBPIWQWWEV-OALUTQOASA-N 2 1 301.478 3.281 20 0 DGADMP C[C@H]([NH3+])[C@@H](NCCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809772 618624380 /nfs/dbraw/zinc/62/43/80/618624380.db2.gz WNLJCBDFEIAOLD-QFBILLFUSA-N 2 1 303.494 3.225 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809772 618624381 /nfs/dbraw/zinc/62/43/81/618624381.db2.gz WNLJCBDFEIAOLD-QFBILLFUSA-N 3 1 303.494 3.225 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894254021 618740748 /nfs/dbraw/zinc/74/07/48/618740748.db2.gz KUNYNLGUKHJLJH-LLVKDONJSA-N 2 1 309.866 3.381 20 0 DGADMP Cc1cccc2c1[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000924971647 618753617 /nfs/dbraw/zinc/75/36/17/618753617.db2.gz YGWLRVQMCOKECK-SFHVURJKSA-N 2 1 314.473 3.217 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000895439001 618784668 /nfs/dbraw/zinc/78/46/68/618784668.db2.gz QXJCCZSQQGYPGN-UHFFFAOYSA-N 2 1 313.489 3.495 20 0 DGADMP Fc1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000895479708 618790431 /nfs/dbraw/zinc/79/04/31/618790431.db2.gz TUEPALSCBNWBQQ-INIZCTEOSA-N 2 1 308.416 3.219 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc2c(s1)CCC2 ZINC000895683122 618818557 /nfs/dbraw/zinc/81/85/57/618818557.db2.gz HXNFGRMAOVWQEH-UHFFFAOYSA-N 2 1 307.507 3.330 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc2c(s1)CCC2 ZINC000895683122 618818559 /nfs/dbraw/zinc/81/85/59/618818559.db2.gz HXNFGRMAOVWQEH-UHFFFAOYSA-N 2 1 307.507 3.330 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000895821704 618836111 /nfs/dbraw/zinc/83/61/11/618836111.db2.gz HYQZRNJHXNRZLV-UHFFFAOYSA-N 2 1 313.489 3.495 20 0 DGADMP Cc1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cnc1F ZINC000895865546 618843904 /nfs/dbraw/zinc/84/39/04/618843904.db2.gz GCTLQOLEHZZOGF-UHFFFAOYSA-N 2 1 307.457 3.329 20 0 DGADMP Cc1ccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1C ZINC000896036838 618866345 /nfs/dbraw/zinc/86/63/45/618866345.db2.gz XGMZVEAJZHOJAN-UHFFFAOYSA-N 2 1 316.489 3.079 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccnc1 ZINC000896724746 618948646 /nfs/dbraw/zinc/94/86/46/618948646.db2.gz XJDXMBPLQFEVPT-SLFFLAALSA-N 2 1 309.457 3.468 20 0 DGADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000898195688 619225583 /nfs/dbraw/zinc/22/55/83/619225583.db2.gz YSWWKZCPRGWXEO-DFQSSKMNSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000898195688 619225584 /nfs/dbraw/zinc/22/55/84/619225584.db2.gz YSWWKZCPRGWXEO-DFQSSKMNSA-N 2 1 314.473 3.105 20 0 DGADMP Cc1ncccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000898256075 619232823 /nfs/dbraw/zinc/23/28/23/619232823.db2.gz RDSONZHHBKXTHM-UHFFFAOYSA-N 2 1 323.484 3.229 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520384 619284113 /nfs/dbraw/zinc/28/41/13/619284113.db2.gz XGWMEZPPGJYGLF-QYZOEREBSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520384 619284114 /nfs/dbraw/zinc/28/41/14/619284114.db2.gz XGWMEZPPGJYGLF-QYZOEREBSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520384 619284116 /nfs/dbraw/zinc/28/41/16/619284116.db2.gz XGWMEZPPGJYGLF-QYZOEREBSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1F ZINC000924775705 619433589 /nfs/dbraw/zinc/43/35/89/619433589.db2.gz LDOKCAINZHAOKM-AWEZNQCLSA-N 2 1 324.403 3.436 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)N2CCCC2)o1 ZINC000902348272 619620196 /nfs/dbraw/zinc/62/01/96/619620196.db2.gz YNCUEECQHKWMLA-IRXDYDNUSA-N 2 1 319.493 3.093 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367404 619623573 /nfs/dbraw/zinc/62/35/73/619623573.db2.gz BVGGIHQBVUKPMK-ULQDDVLXSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000902367404 619623574 /nfs/dbraw/zinc/62/35/74/619623574.db2.gz BVGGIHQBVUKPMK-ULQDDVLXSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367404 619623576 /nfs/dbraw/zinc/62/35/76/619623576.db2.gz BVGGIHQBVUKPMK-ULQDDVLXSA-N 2 1 307.526 3.007 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CCO2 ZINC000902374404 619625041 /nfs/dbraw/zinc/62/50/41/619625041.db2.gz LPMWWGGSTLSAGY-WMLDXEAASA-N 2 1 318.461 3.277 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000902384970 619629224 /nfs/dbraw/zinc/62/92/24/619629224.db2.gz QMKVGCHWNPIFTN-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000902384970 619629225 /nfs/dbraw/zinc/62/92/25/619629225.db2.gz QMKVGCHWNPIFTN-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000902400895 619631904 /nfs/dbraw/zinc/63/19/04/619631904.db2.gz XMHDFRSGUNEYEP-IAGOWNOFSA-N 2 1 324.472 3.227 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902444444 619637061 /nfs/dbraw/zinc/63/70/61/619637061.db2.gz NQYCGILXHRDZLL-CTWPCTMYSA-N 2 1 315.505 3.017 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902444444 619637062 /nfs/dbraw/zinc/63/70/62/619637062.db2.gz NQYCGILXHRDZLL-CTWPCTMYSA-N 2 1 315.505 3.017 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902444444 619637064 /nfs/dbraw/zinc/63/70/64/619637064.db2.gz NQYCGILXHRDZLL-CTWPCTMYSA-N 2 1 315.505 3.017 20 0 DGADMP CNc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902533530 619650499 /nfs/dbraw/zinc/65/04/99/619650499.db2.gz ZEUBAMLLOMYAGL-GOSISDBHSA-N 2 1 309.457 3.340 20 0 DGADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902747744 619669303 /nfs/dbraw/zinc/66/93/03/619669303.db2.gz IAKGNUAQFHVIAK-INDMIFKZSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902747744 619669304 /nfs/dbraw/zinc/66/93/04/619669304.db2.gz IAKGNUAQFHVIAK-INDMIFKZSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)CC[N@H+]2C1 ZINC000902751945 619670186 /nfs/dbraw/zinc/67/01/86/619670186.db2.gz DXXVLIBXAUQBLZ-INDMIFKZSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)CC[N@H+]2C1 ZINC000902751946 619670389 /nfs/dbraw/zinc/67/03/89/619670389.db2.gz DXXVLIBXAUQBLZ-OKYOBFRVSA-N 2 1 306.494 3.188 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1 ZINC000902755594 619670692 /nfs/dbraw/zinc/67/06/92/619670692.db2.gz RTDVQWNFUBTGAG-AWEZNQCLSA-N 2 1 315.417 3.027 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902761128 619671840 /nfs/dbraw/zinc/67/18/40/619671840.db2.gz KPYPLOPIJFCHJB-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902789876 619677049 /nfs/dbraw/zinc/67/70/49/619677049.db2.gz KUXUKGWACYRFTN-RKVPGOIHSA-N 2 1 313.445 3.057 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799619 619678505 /nfs/dbraw/zinc/67/85/05/619678505.db2.gz GGVDDEKALUHNHY-PXRSPZQOSA-N 2 1 320.521 3.290 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799619 619678508 /nfs/dbraw/zinc/67/85/08/619678508.db2.gz GGVDDEKALUHNHY-PXRSPZQOSA-N 2 1 320.521 3.290 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902818120 619678934 /nfs/dbraw/zinc/67/89/34/619678934.db2.gz JVYFIOFWEVSRPC-QAPCUYQASA-N 2 1 313.445 3.201 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000902819927 619678983 /nfs/dbraw/zinc/67/89/83/619678983.db2.gz XVBPZODNJNEGOI-ZDXGLAPJSA-N 2 1 302.462 3.391 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000902819927 619678984 /nfs/dbraw/zinc/67/89/84/619678984.db2.gz XVBPZODNJNEGOI-ZDXGLAPJSA-N 2 1 302.462 3.391 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000902979900 619699263 /nfs/dbraw/zinc/69/92/63/619699263.db2.gz VJDRGNBLNFYPLN-UEDNIHKISA-N 2 1 318.505 3.187 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1COc2ccccc2C1 ZINC000903016092 619701887 /nfs/dbraw/zinc/70/18/87/619701887.db2.gz IMBSRUJLTJOAKF-NVXWUHKLSA-N 2 1 302.462 3.090 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C1CC1 ZINC000903017618 619702407 /nfs/dbraw/zinc/70/24/07/619702407.db2.gz WNKDQGVXVFFKAT-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000903060485 619708154 /nfs/dbraw/zinc/70/81/54/619708154.db2.gz ZQUMHQQNUUOYNG-AWEZNQCLSA-N 2 1 316.445 3.027 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(COC(C)=O)c2)C1 ZINC000903075740 619711714 /nfs/dbraw/zinc/71/17/14/619711714.db2.gz CKJBVRZPFDDYKT-MAUKXSAKSA-N 2 1 318.461 3.132 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076390 619711993 /nfs/dbraw/zinc/71/19/93/619711993.db2.gz OQXYJPTTZQFZCD-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076390 619711996 /nfs/dbraw/zinc/71/19/96/619711996.db2.gz OQXYJPTTZQFZCD-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000903087455 619713640 /nfs/dbraw/zinc/71/36/40/619713640.db2.gz UUESEZTYZVLRBM-USXIJHARSA-N 2 1 308.491 3.117 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000903087455 619713642 /nfs/dbraw/zinc/71/36/42/619713642.db2.gz UUESEZTYZVLRBM-USXIJHARSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903072301 619715446 /nfs/dbraw/zinc/71/54/46/619715446.db2.gz IGKXXCLTZVNAJU-MDZRGWNJSA-N 2 1 301.478 3.490 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@@H+]1C ZINC000903098807 619715763 /nfs/dbraw/zinc/71/57/63/619715763.db2.gz AFRDKGNTVCCZPC-IDHHARJASA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@H+]1C ZINC000903098807 619715764 /nfs/dbraw/zinc/71/57/64/619715764.db2.gz AFRDKGNTVCCZPC-IDHHARJASA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1C ZINC000903096200 619719471 /nfs/dbraw/zinc/71/94/71/619719471.db2.gz ATXVIQBZHGONIG-DARIXABFSA-N 2 1 308.510 3.290 20 0 DGADMP Cc1ccc2c(c1C)OC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903118484 619721342 /nfs/dbraw/zinc/72/13/42/619721342.db2.gz VRQFCVYDWJGLOT-SOXMVSPVSA-N 2 1 312.457 3.484 20 0 DGADMP COc1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903135857 619723832 /nfs/dbraw/zinc/72/38/32/619723832.db2.gz NQTKNGSNRDBTDM-ZNXRZULTSA-N 2 1 312.457 3.432 20 0 DGADMP COc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc1 ZINC000903135857 619723833 /nfs/dbraw/zinc/72/38/33/619723833.db2.gz NQTKNGSNRDBTDM-ZNXRZULTSA-N 2 1 312.457 3.432 20 0 DGADMP COc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903135857 619723834 /nfs/dbraw/zinc/72/38/34/619723834.db2.gz NQTKNGSNRDBTDM-ZNXRZULTSA-N 2 1 312.457 3.432 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCOC34CCCC4)C2)cc1 ZINC000903166416 619727771 /nfs/dbraw/zinc/72/77/71/619727771.db2.gz XGVRJGIPGLEZMU-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000903185354 619732424 /nfs/dbraw/zinc/73/24/24/619732424.db2.gz IONAHDNYHWZICJ-WBVHZDCISA-N 2 1 318.461 3.132 20 0 DGADMP CC1(C)CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903203691 619736350 /nfs/dbraw/zinc/73/63/50/619736350.db2.gz NKNOXADYOFDTHB-ZXFUBFMLSA-N 2 1 306.494 3.065 20 0 DGADMP CC1([NH+]2CCC2)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903226274 619738155 /nfs/dbraw/zinc/73/81/55/619738155.db2.gz KFLZAJZQNVIHFD-XJFWBRLCSA-N 3 1 317.521 3.141 20 0 DGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)OC(C)(C)C ZINC000903224144 619741710 /nfs/dbraw/zinc/74/17/10/619741710.db2.gz QQNHIRLMFMAGAN-YTTRVJOFSA-N 2 1 322.493 3.102 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000903253555 619745334 /nfs/dbraw/zinc/74/53/34/619745334.db2.gz LTFPHQXFDTVGCK-URTMOLNLSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000903253555 619745336 /nfs/dbraw/zinc/74/53/36/619745336.db2.gz LTFPHQXFDTVGCK-URTMOLNLSA-N 2 1 319.537 3.246 20 0 DGADMP CC1(C)CC2(CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)CO1 ZINC000903325588 619761299 /nfs/dbraw/zinc/76/12/99/619761299.db2.gz UWAXWGZGPMDGJN-LDAMGQGXSA-N 2 1 304.478 3.082 20 0 DGADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441081 619775927 /nfs/dbraw/zinc/77/59/27/619775927.db2.gz JAIYCQJHSJWXPD-OLZOCXBDSA-N 2 1 302.340 3.144 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000903442711 619777230 /nfs/dbraw/zinc/77/72/30/619777230.db2.gz ZORCROMKFBBYAA-HNJRGHQBSA-N 2 1 315.505 3.271 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463837 619777271 /nfs/dbraw/zinc/77/72/71/619777271.db2.gz PDHPFBXUWMOJSA-COXVUDFISA-N 2 1 306.425 3.105 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCC4)O2)cc1 ZINC000903472749 619780138 /nfs/dbraw/zinc/78/01/38/619780138.db2.gz VVZKSTKALUSQLM-OKZBNKHCSA-N 2 1 300.446 3.171 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCc2ccns2)C1)C1CCCC1 ZINC000903482811 619781233 /nfs/dbraw/zinc/78/12/33/619781233.db2.gz UKMYLALCNIRTPP-PBHICJAKSA-N 2 1 307.507 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1CC[NH3+] ZINC000903499139 619781534 /nfs/dbraw/zinc/78/15/34/619781534.db2.gz HJKKTUGTFCEGHQ-DGCLKSJQSA-N 2 1 321.371 3.037 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Nc3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903500156 619782048 /nfs/dbraw/zinc/78/20/48/619782048.db2.gz UHQDFAVXXSCMPT-ZIAGYGMSSA-N 2 1 316.474 3.303 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722658 619803634 /nfs/dbraw/zinc/80/36/34/619803634.db2.gz CRFDIUJCCWPPKD-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722458 619803756 /nfs/dbraw/zinc/80/37/56/619803756.db2.gz BCXSRUQICLUVBS-OALUTQOASA-N 2 1 314.473 3.291 20 0 DGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724353 619804200 /nfs/dbraw/zinc/80/42/00/619804200.db2.gz MUUMOQAOPZJEBZ-PKOBYXMFSA-N 2 1 314.473 3.291 20 0 DGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723526 619804499 /nfs/dbraw/zinc/80/44/99/619804499.db2.gz HXPZEUQHFFHCRI-SFHVURJKSA-N 2 1 320.452 3.195 20 0 DGADMP Clc1ccc(C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725099 619804891 /nfs/dbraw/zinc/80/48/91/619804891.db2.gz WRDMMHYCZPMOOQ-MSOLQXFVSA-N 2 1 320.864 3.073 20 0 DGADMP C(C1CC1)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000903727367 619805001 /nfs/dbraw/zinc/80/50/01/619805001.db2.gz TUFBIUAHWVPQAC-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP FC(F)(F)C1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903733290 619805105 /nfs/dbraw/zinc/80/51/05/619805105.db2.gz JNZKUCRBYJNJAB-SNVBAGLBSA-N 2 1 318.305 3.193 20 0 DGADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903733290 619805109 /nfs/dbraw/zinc/80/51/09/619805109.db2.gz JNZKUCRBYJNJAB-SNVBAGLBSA-N 2 1 318.305 3.193 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCCC2(CCCCC2)C1 ZINC000903729894 619805502 /nfs/dbraw/zinc/80/55/02/619805502.db2.gz SJCMSIXEDNWYIR-QGZVFWFLSA-N 2 1 306.494 3.191 20 0 DGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728929 619805539 /nfs/dbraw/zinc/80/55/39/619805539.db2.gz HTSJEABSAUHUFC-OTWHNJEPSA-N 2 1 302.462 3.084 20 0 DGADMP Cc1ccc(C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C(C)C)s1 ZINC000903727782 619805726 /nfs/dbraw/zinc/80/57/26/619805726.db2.gz XFURSKZQGDJUMI-WBVHZDCISA-N 2 1 308.491 3.036 20 0 DGADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903733178 619805739 /nfs/dbraw/zinc/80/57/39/619805739.db2.gz ISKTXNZHXLJWEC-PKOBYXMFSA-N 2 1 316.489 3.017 20 0 DGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728928 619805742 /nfs/dbraw/zinc/80/57/42/619805742.db2.gz HTSJEABSAUHUFC-IPMKNSEASA-N 2 1 302.462 3.084 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903778033 619812559 /nfs/dbraw/zinc/81/25/59/619812559.db2.gz IYGHMJOLRJQAPW-GUTXKFCHSA-N 2 1 322.415 3.183 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000903785509 619813506 /nfs/dbraw/zinc/81/35/06/619813506.db2.gz ZPPVCYZYRVMTGR-BHIYHBOVSA-N 2 1 314.473 3.228 20 0 DGADMP c1ccc2cc(C[N@H+]3CC[NH2+]CCC34CCOCC4)ccc2c1 ZINC000903815320 619814451 /nfs/dbraw/zinc/81/44/51/619814451.db2.gz MJXCBPOOOVWYBD-UHFFFAOYSA-N 2 1 310.441 3.184 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)COC3)CCC1 ZINC000903810341 619817940 /nfs/dbraw/zinc/81/79/40/619817940.db2.gz BFSQMLALYCNVCO-SFHVURJKSA-N 2 1 300.446 3.200 20 0 DGADMP O=C(c1ccccc1Cl)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000903831957 619821004 /nfs/dbraw/zinc/82/10/04/619821004.db2.gz OYTUIBKQLDCMIU-AWEZNQCLSA-N 2 1 320.864 3.234 20 0 DGADMP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000903891363 619826869 /nfs/dbraw/zinc/82/68/69/619826869.db2.gz LZDGWJZHARECCZ-OAHLLOKOSA-N 2 1 324.415 3.349 20 0 DGADMP Fc1cccc(C[C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903886971 619828450 /nfs/dbraw/zinc/82/84/50/619828450.db2.gz XABPZMBAKMHFAJ-DQXYTYHJSA-N 2 1 302.437 3.363 20 0 DGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCc2ccc(F)cc21 ZINC000903932238 619836597 /nfs/dbraw/zinc/83/65/97/619836597.db2.gz PHMIOMLJPJANLV-HQNOKGKPSA-N 2 1 302.437 3.318 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903937659 619837999 /nfs/dbraw/zinc/83/79/99/619837999.db2.gz PBMHZBJNVYPQLL-ROUUACIJSA-N 2 1 307.526 3.105 20 0 DGADMP COc1ccc(-c2nc(C[NH2+]CCC(C)(C)[NH3+])cs2)cc1 ZINC000903941032 619841450 /nfs/dbraw/zinc/84/14/50/619841450.db2.gz MEQRQSCIQMNRQP-UHFFFAOYSA-N 2 1 305.447 3.036 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000903955314 619846091 /nfs/dbraw/zinc/84/60/91/619846091.db2.gz OZFGZYGOKLHAHA-LLVKDONJSA-N 2 1 302.434 3.380 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955331 619846332 /nfs/dbraw/zinc/84/63/32/619846332.db2.gz PEZUJJXGTUFZFW-LBPRGKRZSA-N 2 1 302.796 3.291 20 0 DGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903972682 619847371 /nfs/dbraw/zinc/84/73/71/619847371.db2.gz JUVMERIJDYSEML-PKOBYXMFSA-N 2 1 316.489 3.064 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972391 619847518 /nfs/dbraw/zinc/84/75/18/619847518.db2.gz HOSTXXFDPLKZBT-RTBURBONSA-N 2 1 316.489 3.146 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1)C1CCCC1 ZINC000904385601 619919130 /nfs/dbraw/zinc/91/91/30/619919130.db2.gz ZWUAOGAKCZBQHI-QAPCUYQASA-N 2 1 316.493 3.338 20 0 DGADMP COc1cc(Cl)c(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000904406429 619919982 /nfs/dbraw/zinc/91/99/82/619919982.db2.gz SSKKVIVVHFTTLF-JTQLQIEISA-N 2 1 303.233 3.173 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OC ZINC000904406341 619920084 /nfs/dbraw/zinc/92/00/84/619920084.db2.gz QHMAEDBZTDEHNE-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000904411937 619920528 /nfs/dbraw/zinc/92/05/28/619920528.db2.gz QPEACRIEAULAIR-JQWIXIFHSA-N 2 1 304.331 3.261 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1OCC(C)C ZINC000904411184 619920555 /nfs/dbraw/zinc/92/05/55/619920555.db2.gz JJWQZMDJQXQZGS-RDJZCZTQSA-N 2 1 320.477 3.147 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000904410385 619920568 /nfs/dbraw/zinc/92/05/68/619920568.db2.gz CUIMYQJDSXGHFI-NWDGAFQWSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000904412809 619920868 /nfs/dbraw/zinc/92/08/68/619920868.db2.gz ZLRXRBOAYSPIQU-CMPLNLGQSA-N 2 1 304.331 3.261 20 0 DGADMP c1c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000904434700 619921809 /nfs/dbraw/zinc/92/18/09/619921809.db2.gz XTUIBOVZCMYCAX-HNNXBMFYSA-N 2 1 320.502 3.032 20 0 DGADMP C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(C[NH+](C)C)c1 ZINC000924798605 619922933 /nfs/dbraw/zinc/92/29/33/619922933.db2.gz AKFQADABRWOKCI-CYBMUJFWSA-N 2 1 314.458 3.308 20 0 DGADMP Cc1cc2c(cc1-c1ccc(C[NH+]3CCOCC3)cc1)C[NH2+]CC2 ZINC000904799330 619952340 /nfs/dbraw/zinc/95/23/40/619952340.db2.gz NROIYDQZXMYBCV-UHFFFAOYSA-N 2 1 322.452 3.140 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C[C@H]1C[NH3+] ZINC000841100304 620450142 /nfs/dbraw/zinc/45/01/42/620450142.db2.gz CDIGTAOJQBEFKN-DGCLKSJQSA-N 2 1 300.418 3.418 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921536516 620904643 /nfs/dbraw/zinc/90/46/43/620904643.db2.gz JHTIYHFENKARIT-RHQZKXFESA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921580639 620910933 /nfs/dbraw/zinc/91/09/33/620910933.db2.gz DSOYXUWWKMKVFE-XMTFNYHQSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921580639 620910936 /nfs/dbraw/zinc/91/09/36/620910936.db2.gz DSOYXUWWKMKVFE-XMTFNYHQSA-N 2 1 308.510 3.292 20 0 DGADMP CS[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000921759285 620945782 /nfs/dbraw/zinc/94/57/82/620945782.db2.gz IUVFBIPVVLPPDJ-YYIAUSFCSA-N 2 1 314.539 3.140 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980841 620976438 /nfs/dbraw/zinc/97/64/38/620976438.db2.gz OSQWEOXCANFQFS-NVXWUHKLSA-N 2 1 316.493 3.351 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980841 620976439 /nfs/dbraw/zinc/97/64/39/620976439.db2.gz OSQWEOXCANFQFS-NVXWUHKLSA-N 2 1 316.493 3.351 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856551841 621005038 /nfs/dbraw/zinc/00/50/38/621005038.db2.gz AWWGQZDDSBJFRO-LPHOPBHVSA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551841 621005040 /nfs/dbraw/zinc/00/50/40/621005040.db2.gz AWWGQZDDSBJFRO-LPHOPBHVSA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551841 621005043 /nfs/dbraw/zinc/00/50/43/621005043.db2.gz AWWGQZDDSBJFRO-LPHOPBHVSA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585001 621005953 /nfs/dbraw/zinc/00/59/53/621005953.db2.gz XAYSGDNERMQDSI-CRAIPNDOSA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585001 621005957 /nfs/dbraw/zinc/00/59/57/621005957.db2.gz XAYSGDNERMQDSI-CRAIPNDOSA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585001 621005961 /nfs/dbraw/zinc/00/59/61/621005961.db2.gz XAYSGDNERMQDSI-CRAIPNDOSA-N 2 1 305.466 3.175 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000922268449 621015347 /nfs/dbraw/zinc/01/53/47/621015347.db2.gz GCMRBHAMPOKDOZ-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)[C@@H]1c1cccs1 ZINC000858145577 621157690 /nfs/dbraw/zinc/15/76/90/621157690.db2.gz YPRBNXNOAUOXLL-RHSMWYFYSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)[C@@H]1c1cccs1 ZINC000858145577 621157693 /nfs/dbraw/zinc/15/76/93/621157693.db2.gz YPRBNXNOAUOXLL-RHSMWYFYSA-N 2 1 319.449 3.455 20 0 DGADMP C[C@H]([NH2+]Cc1ccnc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000858157117 621159701 /nfs/dbraw/zinc/15/97/01/621159701.db2.gz CZSVQXKIJNCQTP-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000923293782 621173075 /nfs/dbraw/zinc/17/30/75/621173075.db2.gz BKZUROMNMAZTFI-QOZQQMKHSA-N 2 1 317.260 3.229 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923315826 621174318 /nfs/dbraw/zinc/17/43/18/621174318.db2.gz KZVOEHLBJPRRIQ-DLZDZTESSA-N 2 1 314.473 3.289 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309247 621175300 /nfs/dbraw/zinc/17/53/00/621175300.db2.gz OOISDIXHHHOTMG-GUDVDZBRSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)sc1C(C)(C)C ZINC000923332792 621176405 /nfs/dbraw/zinc/17/64/05/621176405.db2.gz NPWFDVBXJMUYQP-MJBXVCDLSA-N 2 1 307.507 3.308 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)sc1C(C)(C)C ZINC000923332792 621176407 /nfs/dbraw/zinc/17/64/07/621176407.db2.gz NPWFDVBXJMUYQP-MJBXVCDLSA-N 2 1 307.507 3.308 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)c1 ZINC000858361867 621181370 /nfs/dbraw/zinc/18/13/70/621181370.db2.gz FYSSLEXKTWQNCO-CEXWTWQISA-N 2 1 302.462 3.145 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)c1 ZINC000858361867 621181373 /nfs/dbraw/zinc/18/13/73/621181373.db2.gz FYSSLEXKTWQNCO-CEXWTWQISA-N 2 1 302.462 3.145 20 0 DGADMP CCCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1ccc(C)o1 ZINC000923429236 621183502 /nfs/dbraw/zinc/18/35/02/621183502.db2.gz XWPVZEIBAWBMNO-CVEARBPZSA-N 2 1 306.450 3.130 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1)C1CCCC1 ZINC000923420130 621183987 /nfs/dbraw/zinc/18/39/87/621183987.db2.gz GQULHHCQKVQVBC-LSTHTHJFSA-N 2 1 316.489 3.340 20 0 DGADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484082 621187333 /nfs/dbraw/zinc/18/73/33/621187333.db2.gz VCIUASMLMCILNE-NEPJUHHUSA-N 2 1 308.376 3.163 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC000923492383 621188293 /nfs/dbraw/zinc/18/82/93/621188293.db2.gz OAOUVFBWCISYSZ-MNOVXSKESA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CC[C@H]1C[NH3+] ZINC000923502240 621188314 /nfs/dbraw/zinc/18/83/14/621188314.db2.gz ARYIJXXQQIFYMZ-MNOVXSKESA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CC[C@H]1C[NH3+] ZINC000923502240 621188316 /nfs/dbraw/zinc/18/83/16/621188316.db2.gz ARYIJXXQQIFYMZ-MNOVXSKESA-N 2 1 315.230 3.005 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923493101 621188339 /nfs/dbraw/zinc/18/83/39/621188339.db2.gz STQZUJATHBGTJN-HOTGVXAUSA-N 2 1 317.477 3.116 20 0 DGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c(CO)c2)[C@@H]1c1cccs1 ZINC000858422859 621188641 /nfs/dbraw/zinc/18/86/41/621188641.db2.gz QYEYZVZCYGNQQR-CXAGYDPISA-N 2 1 317.458 3.130 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923496971 621188787 /nfs/dbraw/zinc/18/87/87/621188787.db2.gz KRHIGRGRGRYYJG-JSGCOSHPSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923499339 621189141 /nfs/dbraw/zinc/18/91/41/621189141.db2.gz SBWBBIUYXQJFTO-ZYHUDNBSSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923500493 621189299 /nfs/dbraw/zinc/18/92/99/621189299.db2.gz RNIYKPLCUQZYMO-AAEUAGOBSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500279 621189341 /nfs/dbraw/zinc/18/93/41/621189341.db2.gz WGGHAEZUZNHBHB-DYEKYZERSA-N 2 1 311.267 3.427 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491103 621197501 /nfs/dbraw/zinc/19/75/01/621197501.db2.gz YKBUGXDODVDGCF-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491103 621197503 /nfs/dbraw/zinc/19/75/03/621197503.db2.gz YKBUGXDODVDGCF-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464825 621512244 /nfs/dbraw/zinc/51/22/44/621512244.db2.gz MQLFVQNJAPBBHZ-QOKNQOGYSA-N 2 1 320.452 3.102 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839650217 621704066 /nfs/dbraw/zinc/70/40/66/621704066.db2.gz KMBRGABZLVAWRX-XUVXKRRUSA-N 2 1 316.489 3.101 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839650217 621704067 /nfs/dbraw/zinc/70/40/67/621704067.db2.gz KMBRGABZLVAWRX-XUVXKRRUSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865416324 621914878 /nfs/dbraw/zinc/91/48/78/621914878.db2.gz XOCDUWQOVQUCNT-CQSZACIVSA-N 2 1 317.433 3.278 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)oc2C)[C@H](C)C1 ZINC000120594873 621934325 /nfs/dbraw/zinc/93/43/25/621934325.db2.gz MLOXAHWXMKCIQE-KDOFPFPSSA-N 2 1 308.466 3.123 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)oc2C)[C@H](C)C1 ZINC000120594873 621934328 /nfs/dbraw/zinc/93/43/28/621934328.db2.gz MLOXAHWXMKCIQE-KDOFPFPSSA-N 2 1 308.466 3.123 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866262276 622078723 /nfs/dbraw/zinc/07/87/23/622078723.db2.gz PAKKZQOCCAUACI-KXBFYZLASA-N 2 1 320.452 3.030 20 0 DGADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866314831 622092059 /nfs/dbraw/zinc/09/20/59/622092059.db2.gz PRAURCRZEQIJNJ-INIZCTEOSA-N 2 1 309.457 3.407 20 0 DGADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)F ZINC000866506903 622129091 /nfs/dbraw/zinc/12/90/91/622129091.db2.gz SLILDRBARGCAJJ-AWEZNQCLSA-N 2 1 322.415 3.198 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H](C)C1 ZINC000866543089 622135996 /nfs/dbraw/zinc/13/59/96/622135996.db2.gz REQUTCSGUZRDES-LSDHHAIUSA-N 2 1 320.468 3.394 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559926 622137888 /nfs/dbraw/zinc/13/78/88/622137888.db2.gz JALVGVNGSFJXKD-LPHOPBHVSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559926 622137889 /nfs/dbraw/zinc/13/78/89/622137889.db2.gz JALVGVNGSFJXKD-LPHOPBHVSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590939 622142985 /nfs/dbraw/zinc/14/29/85/622142985.db2.gz YOZHCDWLDXSOIT-OAHLLOKOSA-N 2 1 321.896 3.113 20 0 DGADMP COC(=O)/C(C)=C\C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000763435094 622145578 /nfs/dbraw/zinc/14/55/78/622145578.db2.gz YWUMQFJPSFSOCP-UGIZUQJLSA-N 2 1 322.493 3.082 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC[N@@H+]1C ZINC000866607827 622145857 /nfs/dbraw/zinc/14/58/57/622145857.db2.gz HHWMPYBSBRNTLK-ATZDWAIDSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC[N@H+]1C ZINC000866607827 622145859 /nfs/dbraw/zinc/14/58/59/622145859.db2.gz HHWMPYBSBRNTLK-ATZDWAIDSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614298 622147452 /nfs/dbraw/zinc/14/74/52/622147452.db2.gz MJJNMVYPVNYRDG-DSLXNQLJSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614298 622147455 /nfs/dbraw/zinc/14/74/55/622147455.db2.gz MJJNMVYPVNYRDG-DSLXNQLJSA-N 2 1 324.472 3.266 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)CCO3)cc1 ZINC000763621057 622155354 /nfs/dbraw/zinc/15/53/54/622155354.db2.gz IQXAGQZWXVGSTR-UHFFFAOYSA-N 2 1 310.441 3.315 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000866705460 622158493 /nfs/dbraw/zinc/15/84/93/622158493.db2.gz AINXDHRYURJIQS-KRWDZBQOSA-N 2 1 312.404 3.485 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000765141702 622248954 /nfs/dbraw/zinc/24/89/54/622248954.db2.gz OLDOKVWLSLLSDN-HNNXBMFYSA-N 2 1 309.417 3.118 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765792171 622287327 /nfs/dbraw/zinc/28/73/27/622287327.db2.gz PHIHKLYJWWDQBO-AQNXPRMDSA-N 2 1 316.489 3.097 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765792171 622287329 /nfs/dbraw/zinc/28/73/29/622287329.db2.gz PHIHKLYJWWDQBO-AQNXPRMDSA-N 2 1 316.489 3.097 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000765979879 622298070 /nfs/dbraw/zinc/29/80/70/622298070.db2.gz XQWLHVPVHSSRIE-KSSFIOAISA-N 2 1 306.425 3.120 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](NCc2c(C)cccc2F)[C@H](C)C1 ZINC000766217357 622312914 /nfs/dbraw/zinc/31/29/14/622312914.db2.gz YOUMEVMDMVXAIA-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2F)[C@H](C)C1 ZINC000766217357 622312919 /nfs/dbraw/zinc/31/29/19/622312919.db2.gz YOUMEVMDMVXAIA-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2F)[C@H](C)C1 ZINC000766217357 622312923 /nfs/dbraw/zinc/31/29/23/622312923.db2.gz YOUMEVMDMVXAIA-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(-c2ccccc2)c1 ZINC000766478817 622333056 /nfs/dbraw/zinc/33/30/56/622333056.db2.gz KZUHFCWPUUBDTN-KVSKMBFKSA-N 2 1 312.461 3.396 20 0 DGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000767371254 622394048 /nfs/dbraw/zinc/39/40/48/622394048.db2.gz NYJFCKCPJAUBSC-HOJAQTOUSA-N 2 1 314.473 3.023 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCSC3)C2)c1 ZINC000769015977 622492100 /nfs/dbraw/zinc/49/21/00/622492100.db2.gz AAEOGANRTFYMCE-GJZGRUSLSA-N 2 1 310.532 3.445 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCSC3)C2)c1 ZINC000769015977 622492102 /nfs/dbraw/zinc/49/21/02/622492102.db2.gz AAEOGANRTFYMCE-GJZGRUSLSA-N 2 1 310.532 3.445 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000769335399 622518640 /nfs/dbraw/zinc/51/86/40/622518640.db2.gz WTJYTSPESCEWQO-LJQANCHMSA-N 2 1 316.420 3.053 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(C)cc1 ZINC000769658742 622547932 /nfs/dbraw/zinc/54/79/32/622547932.db2.gz AQVQDYFEUQKTAI-LJQANCHMSA-N 2 1 304.478 3.226 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(C)cc1 ZINC000769658742 622547937 /nfs/dbraw/zinc/54/79/37/622547937.db2.gz AQVQDYFEUQKTAI-LJQANCHMSA-N 2 1 304.478 3.226 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1COC2 ZINC000770372635 622626263 /nfs/dbraw/zinc/62/62/63/622626263.db2.gz DKIWQZJQNALQQK-OXQOHEQNSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372635 622626268 /nfs/dbraw/zinc/62/62/68/622626268.db2.gz DKIWQZJQNALQQK-OXQOHEQNSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372635 622626273 /nfs/dbraw/zinc/62/62/73/622626273.db2.gz DKIWQZJQNALQQK-OXQOHEQNSA-N 2 1 312.457 3.166 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770394390 622629994 /nfs/dbraw/zinc/62/99/94/622629994.db2.gz HQQKZUNZMNTVDI-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770394390 622629996 /nfs/dbraw/zinc/62/99/96/622629996.db2.gz HQQKZUNZMNTVDI-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP CN(C)c1cc[nH+]c(NCCCCCCC[NH+]2CCCC2)n1 ZINC000770455392 622636041 /nfs/dbraw/zinc/63/60/41/622636041.db2.gz KUUBGRWEYKGKLP-UHFFFAOYSA-N 2 1 305.470 3.001 20 0 DGADMP Cc1ccc(C)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871784741 622696492 /nfs/dbraw/zinc/69/64/92/622696492.db2.gz JVZPOLIYMRORNS-ZXFUBFMLSA-N 2 1 301.434 3.175 20 0 DGADMP Cc1ccc(C)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871784741 622696493 /nfs/dbraw/zinc/69/64/93/622696493.db2.gz JVZPOLIYMRORNS-ZXFUBFMLSA-N 2 1 301.434 3.175 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)Nc1ccc(C)cc1 ZINC000871886766 622731500 /nfs/dbraw/zinc/73/15/00/622731500.db2.gz SHOKLVBIMPGQPW-SFHVURJKSA-N 2 1 317.477 3.176 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[Si](C)(C)C ZINC000771461614 622762234 /nfs/dbraw/zinc/76/22/34/622762234.db2.gz DPXRITRVYBRWJG-UHFFFAOYSA-N 2 1 305.542 3.497 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)C2CC2)CC1)CC1CC1 ZINC000771475808 622763550 /nfs/dbraw/zinc/76/35/50/622763550.db2.gz MMNNLDQPNTZAPF-UHFFFAOYSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000872033680 622765040 /nfs/dbraw/zinc/76/50/40/622765040.db2.gz DNIATCIRPPANJC-MJGOQNOKSA-N 2 1 322.468 3.093 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000872036381 622766600 /nfs/dbraw/zinc/76/66/00/622766600.db2.gz USOZWLLFFXXERQ-JQHSSLGASA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000872053366 622778107 /nfs/dbraw/zinc/77/81/07/622778107.db2.gz JCLNCHRPAUGUNS-LJQANCHMSA-N 2 1 320.452 3.013 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000872080672 622793739 /nfs/dbraw/zinc/79/37/39/622793739.db2.gz BRPJDDUNLSFFMW-YRPNKDGESA-N 2 1 316.489 3.127 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131307 622825326 /nfs/dbraw/zinc/82/53/26/622825326.db2.gz ZORUDXARJQPXOD-KWCYVHTRSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131307 622825330 /nfs/dbraw/zinc/82/53/30/622825330.db2.gz ZORUDXARJQPXOD-KWCYVHTRSA-N 2 1 313.367 3.378 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000872155216 622835764 /nfs/dbraw/zinc/83/57/64/622835764.db2.gz OCVYKDZYHKPZRT-CQSZACIVSA-N 2 1 318.461 3.013 20 0 DGADMP Cn1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156109 622836535 /nfs/dbraw/zinc/83/65/35/622836535.db2.gz DWFRVDXESSRKAB-XJKSGUPXSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156109 622836543 /nfs/dbraw/zinc/83/65/43/622836543.db2.gz DWFRVDXESSRKAB-XJKSGUPXSA-N 2 1 324.900 3.193 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc2ccccc2n1C(F)F ZINC000872155803 622837414 /nfs/dbraw/zinc/83/74/14/622837414.db2.gz WPRVDMQVXCIYTR-UHFFFAOYSA-N 2 1 310.392 3.382 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872157540 622838246 /nfs/dbraw/zinc/83/82/46/622838246.db2.gz PLBMBUQTSNLCAO-KRWDZBQOSA-N 2 1 305.466 3.163 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000872157632 622838371 /nfs/dbraw/zinc/83/83/71/622838371.db2.gz OGUFGBMHVHATGF-WBVHZDCISA-N 2 1 320.502 3.175 20 0 DGADMP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CC[C@H](C)C1 ZINC000873209871 623076091 /nfs/dbraw/zinc/07/60/91/623076091.db2.gz UWVBCWPLHZLFRN-DZGCQCFKSA-N 2 1 308.491 3.031 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C)C1(F)F ZINC000873211872 623077226 /nfs/dbraw/zinc/07/72/26/623077226.db2.gz DAGXEKVTMTULSA-PHIMTYICSA-N 2 1 300.418 3.117 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873223413 623080457 /nfs/dbraw/zinc/08/04/57/623080457.db2.gz MENUYMNELICCSQ-SFHVURJKSA-N 2 1 316.449 3.175 20 0 DGADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873222808 623080501 /nfs/dbraw/zinc/08/05/01/623080501.db2.gz CLELBVZRFYHIAU-IBGZPJMESA-N 2 1 318.509 3.123 20 0 DGADMP COCCC1([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000873225453 623081210 /nfs/dbraw/zinc/08/12/10/623081210.db2.gz YYQJYEUKMMYGMU-UHFFFAOYSA-N 2 1 317.260 3.242 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000873225556 623081328 /nfs/dbraw/zinc/08/13/28/623081328.db2.gz SSFDUYBOQZGYEG-QFBILLFUSA-N 2 1 302.462 3.264 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(-c2ccc(N)cc2)n1 ZINC000873231367 623083857 /nfs/dbraw/zinc/08/38/57/623083857.db2.gz HDMSXOIANWANPA-UHFFFAOYSA-N 2 1 312.461 3.282 20 0 DGADMP Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232816 623085736 /nfs/dbraw/zinc/08/57/36/623085736.db2.gz YYUCZGIHNLJTQD-BBRMVZONSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232816 623085741 /nfs/dbraw/zinc/08/57/41/623085741.db2.gz YYUCZGIHNLJTQD-BBRMVZONSA-N 2 1 324.900 3.193 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000873240540 623088028 /nfs/dbraw/zinc/08/80/28/623088028.db2.gz BBNDWDGHJKHONO-FXAWDEMLSA-N 2 1 317.521 3.045 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000873281771 623102276 /nfs/dbraw/zinc/10/22/76/623102276.db2.gz AZLCCOCSMXMWBL-NXEZZACHSA-N 2 1 307.747 3.113 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000776156403 623384561 /nfs/dbraw/zinc/38/45/61/623384561.db2.gz MBAKPKAGMAHPDE-UFYCRDLUSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000776156403 623384562 /nfs/dbraw/zinc/38/45/62/623384562.db2.gz MBAKPKAGMAHPDE-UFYCRDLUSA-N 2 1 314.473 3.371 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000777602587 623547194 /nfs/dbraw/zinc/54/71/94/623547194.db2.gz SJSSHFMVURMAMK-QFBILLFUSA-N 2 1 319.493 3.302 20 0 DGADMP C[N@H+](Cc1cnc2c(F)cccc2c1)CC1CC[NH+](C)CC1 ZINC000876690517 623683265 /nfs/dbraw/zinc/68/32/65/623683265.db2.gz MQCMYPYMQTUBTL-UHFFFAOYSA-N 2 1 301.409 3.148 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H](CC)[NH+]1CCCC1 ZINC000876926902 623745628 /nfs/dbraw/zinc/74/56/28/623745628.db2.gz KBZULIRNECJIAH-SXGZJXTBSA-N 2 1 304.415 3.173 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876942840 623750626 /nfs/dbraw/zinc/75/06/26/623750626.db2.gz GWAAJJFKQQXEMN-LLVKDONJSA-N 2 1 309.866 3.381 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876988804 623760700 /nfs/dbraw/zinc/76/07/00/623760700.db2.gz MOSWCPBVXBZHRJ-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876988804 623760703 /nfs/dbraw/zinc/76/07/03/623760703.db2.gz MOSWCPBVXBZHRJ-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP OCCCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877138365 623803779 /nfs/dbraw/zinc/80/37/79/623803779.db2.gz WMNBRQFYOJJGMS-ICSRJNTNSA-N 2 1 316.489 3.497 20 0 DGADMP OCCCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877138365 623803785 /nfs/dbraw/zinc/80/37/85/623803785.db2.gz WMNBRQFYOJJGMS-ICSRJNTNSA-N 2 1 316.489 3.497 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000877665609 623984036 /nfs/dbraw/zinc/98/40/36/623984036.db2.gz CGZXISKOHFBHFC-CRYBEJKASA-N 2 1 308.416 3.388 20 0 DGADMP Cc1nc(F)ccc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767463 624028513 /nfs/dbraw/zinc/02/85/13/624028513.db2.gz KFDJXCWZODZWAL-UHFFFAOYSA-N 2 1 307.457 3.329 20 0 DGADMP C[NH+](C)C1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000877959990 624111085 /nfs/dbraw/zinc/11/10/85/624111085.db2.gz XOMWTFLKROTSGL-MOPGFXCFSA-N 2 1 302.462 3.323 20 0 DGADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000877959991 624111121 /nfs/dbraw/zinc/11/11/21/624111121.db2.gz XOMWTFLKROTSGL-OALUTQOASA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878164379 624195935 /nfs/dbraw/zinc/19/59/35/624195935.db2.gz FRTIFCVEYHDOEZ-RBUKOAKNSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878164379 624195937 /nfs/dbraw/zinc/19/59/37/624195937.db2.gz FRTIFCVEYHDOEZ-RBUKOAKNSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878287501 624237180 /nfs/dbraw/zinc/23/71/80/624237180.db2.gz FGIWJCDQSXPSPF-RBUKOAKNSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878287501 624237181 /nfs/dbraw/zinc/23/71/81/624237181.db2.gz FGIWJCDQSXPSPF-RBUKOAKNSA-N 2 1 313.445 3.434 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CC[C@@H](c3ccccc3)O1)CC2 ZINC000878340267 624248798 /nfs/dbraw/zinc/24/87/98/624248798.db2.gz UDIQYLYMCWRDFP-OALUTQOASA-N 2 1 314.473 3.467 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CC[C@@H](c3ccccc3)O1)CC2 ZINC000878340267 624248799 /nfs/dbraw/zinc/24/87/99/624248799.db2.gz UDIQYLYMCWRDFP-OALUTQOASA-N 2 1 314.473 3.467 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782755795 624280183 /nfs/dbraw/zinc/28/01/83/624280183.db2.gz AOHVEWRVRSJEHX-XLIONFOSSA-N 2 1 316.489 3.476 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782762592 624281086 /nfs/dbraw/zinc/28/10/86/624281086.db2.gz SICFUKVJDPYRKT-VQIMIIECSA-N 2 1 302.462 3.086 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878513203 624294995 /nfs/dbraw/zinc/29/49/95/624294995.db2.gz XQTLNKGKYBTFNH-GUDVDZBRSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000878549267 624305419 /nfs/dbraw/zinc/30/54/19/624305419.db2.gz HZQMKJQZWCJZRW-UHFFFAOYSA-N 2 1 301.478 3.315 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000878562917 624307867 /nfs/dbraw/zinc/30/78/67/624307867.db2.gz INPVCVWWJIFAPT-MOPGFXCFSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000878562917 624307870 /nfs/dbraw/zinc/30/78/70/624307870.db2.gz INPVCVWWJIFAPT-MOPGFXCFSA-N 2 1 318.505 3.284 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C(C)(C)O1 ZINC000878747998 624352897 /nfs/dbraw/zinc/35/28/97/624352897.db2.gz QHENLIWHXNRCJW-MRXNPFEDSA-N 2 1 317.477 3.187 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000783486990 624357438 /nfs/dbraw/zinc/35/74/38/624357438.db2.gz QEDSOAPROWVGPK-SFHVURJKSA-N 2 1 320.477 3.366 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000783486990 624357442 /nfs/dbraw/zinc/35/74/42/624357442.db2.gz QEDSOAPROWVGPK-SFHVURJKSA-N 2 1 320.477 3.366 20 0 DGADMP CCOCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000783486990 624357445 /nfs/dbraw/zinc/35/74/45/624357445.db2.gz QEDSOAPROWVGPK-SFHVURJKSA-N 2 1 320.477 3.366 20 0 DGADMP CCOCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000783486990 624357452 /nfs/dbraw/zinc/35/74/52/624357452.db2.gz QEDSOAPROWVGPK-SFHVURJKSA-N 2 1 320.477 3.366 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3nc(Cl)ccc3Cl)C2)CC1 ZINC000878867750 624375417 /nfs/dbraw/zinc/37/54/17/624375417.db2.gz WMKGSHBIWVWPHI-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(Cl)ccc3Cl)C2)CC1 ZINC000878867750 624375429 /nfs/dbraw/zinc/37/54/29/624375429.db2.gz WMKGSHBIWVWPHI-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP COCC[N@@H+](CCSc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879125008 624432925 /nfs/dbraw/zinc/43/29/25/624432925.db2.gz MFBMYKLZSPMTRG-UHFFFAOYSA-N 2 1 322.518 3.069 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948346 624728988 /nfs/dbraw/zinc/72/89/88/624728988.db2.gz XBQFVMQOSYCXDV-SFHVURJKSA-N 2 1 307.526 3.201 20 0 DGADMP Cc1csc([C@H]2CC[N@@H+](CCCCn3ccnc3C)C2)n1 ZINC000880010322 624752282 /nfs/dbraw/zinc/75/22/82/624752282.db2.gz XNKWBGYTLCCNOU-HNNXBMFYSA-N 2 1 304.463 3.226 20 0 DGADMP Cc1csc([C@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000880010322 624752284 /nfs/dbraw/zinc/75/22/84/624752284.db2.gz XNKWBGYTLCCNOU-HNNXBMFYSA-N 2 1 304.463 3.226 20 0 DGADMP Cc1csc([C@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000880010322 624752286 /nfs/dbraw/zinc/75/22/86/624752286.db2.gz XNKWBGYTLCCNOU-HNNXBMFYSA-N 2 1 304.463 3.226 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCc1ccccn1)C2 ZINC000880020840 624756582 /nfs/dbraw/zinc/75/65/82/624756582.db2.gz QRELXOZSBDSEMH-PZJWPPBQSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCc1ccccn1)C2 ZINC000880020840 624756589 /nfs/dbraw/zinc/75/65/89/624756589.db2.gz QRELXOZSBDSEMH-PZJWPPBQSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@]12C[NH+](CCc3ccccn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880020840 624756595 /nfs/dbraw/zinc/75/65/95/624756595.db2.gz QRELXOZSBDSEMH-PZJWPPBQSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@]12C[NH+](CCc3ccccn3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880020840 624756601 /nfs/dbraw/zinc/75/66/01/624756601.db2.gz QRELXOZSBDSEMH-PZJWPPBQSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC[C@@H]1CCCO1)C2 ZINC000880022762 624758554 /nfs/dbraw/zinc/75/85/54/624758554.db2.gz YEFAXDKAVJQHNM-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CC[C@@H]3CCCO3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022762 624758557 /nfs/dbraw/zinc/75/85/57/624758557.db2.gz YEFAXDKAVJQHNM-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CC[C@@H]3CCCO3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022762 624758562 /nfs/dbraw/zinc/75/85/62/624758562.db2.gz YEFAXDKAVJQHNM-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP CC(C)(O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000880149066 624808914 /nfs/dbraw/zinc/80/89/14/624808914.db2.gz UHUWWTCGYNSHTM-IBGZPJMESA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1C[N@@H+](CCCCOC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880260524 624875039 /nfs/dbraw/zinc/87/50/39/624875039.db2.gz PPNQOVJWHROSJU-INIZCTEOSA-N 2 1 305.466 3.187 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574382 624981002 /nfs/dbraw/zinc/98/10/02/624981002.db2.gz LFZHVTLRLSCZCE-OALUTQOASA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574382 624981004 /nfs/dbraw/zinc/98/10/04/624981004.db2.gz LFZHVTLRLSCZCE-OALUTQOASA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574382 624981008 /nfs/dbraw/zinc/98/10/08/624981008.db2.gz LFZHVTLRLSCZCE-OALUTQOASA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000788479884 625193627 /nfs/dbraw/zinc/19/36/27/625193627.db2.gz FMMPUCUOEYQPBR-QGZVFWFLSA-N 2 1 318.436 3.062 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788479850 625193690 /nfs/dbraw/zinc/19/36/90/625193690.db2.gz DHLWKLJNCZEDKK-SFHVURJKSA-N 2 1 304.503 3.427 20 0 DGADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000788482185 625193719 /nfs/dbraw/zinc/19/37/19/625193719.db2.gz JLFFUSSMOATWEA-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000788487847 625196033 /nfs/dbraw/zinc/19/60/33/625196033.db2.gz JAHJFQWIPJLAMT-MRXNPFEDSA-N 2 1 313.445 3.349 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788646020 625235733 /nfs/dbraw/zinc/23/57/33/625235733.db2.gz QDYGBBAKFFOLMD-HNNXBMFYSA-N 2 1 313.445 3.478 20 0 DGADMP c1csc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791623435 625836589 /nfs/dbraw/zinc/83/65/89/625836589.db2.gz VVJPPWFVJHTBBU-HDICACEKSA-N 2 1 312.482 3.354 20 0 DGADMP c1csc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791623435 625836596 /nfs/dbraw/zinc/83/65/96/625836596.db2.gz VVJPPWFVJHTBBU-HDICACEKSA-N 2 1 312.482 3.354 20 0 DGADMP c1csc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791623435 625836601 /nfs/dbraw/zinc/83/66/01/625836601.db2.gz VVJPPWFVJHTBBU-HDICACEKSA-N 2 1 312.482 3.354 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c2ccsc2S1 ZINC000130549506 625868396 /nfs/dbraw/zinc/86/83/96/625868396.db2.gz OHGHWVIBSJVNOR-XFMPKHEZSA-N 2 1 324.515 3.126 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883182627 625958162 /nfs/dbraw/zinc/95/81/62/625958162.db2.gz HDIQUEYFDCZECH-SFHVURJKSA-N 2 1 317.408 3.088 20 0 DGADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(F)c1 ZINC000796277462 626034767 /nfs/dbraw/zinc/03/47/67/626034767.db2.gz YUHABGBYZBOSKQ-GFCCVEGCSA-N 2 1 307.438 3.237 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000800329827 626352103 /nfs/dbraw/zinc/35/21/03/626352103.db2.gz QNBZOVMDTGWZHV-GOSISDBHSA-N 2 1 315.505 3.022 20 0 DGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000800972008 626387339 /nfs/dbraw/zinc/38/73/39/626387339.db2.gz ZXWQZSQVAHZSRJ-SZMVWBNQSA-N 2 1 312.473 3.138 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@H](C)C1 ZINC000883322770 626647194 /nfs/dbraw/zinc/64/71/94/626647194.db2.gz UQCYZYCSFTYPHS-ICBNADEASA-N 2 1 308.510 3.292 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC4(C3)CC[NH2+]CC4)O2)cc1 ZINC000883424345 626679275 /nfs/dbraw/zinc/67/92/75/626679275.db2.gz OUNMSWOXESSYST-MOPGFXCFSA-N 2 1 314.473 3.372 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429122 626680001 /nfs/dbraw/zinc/68/00/01/626680001.db2.gz MHGJWXYWEWPGEW-IXDOHACOSA-N 2 1 308.510 3.292 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429121 626680275 /nfs/dbraw/zinc/68/02/75/626680275.db2.gz MHGJWXYWEWPGEW-GVDBMIGSSA-N 2 1 308.510 3.292 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000883437627 626682082 /nfs/dbraw/zinc/68/20/82/626682082.db2.gz WZFGFLVGMOXMDF-XQQFMLRXSA-N 2 1 322.415 3.039 20 0 DGADMP CN(CCC[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc21)CC[NH+](C)C ZINC000808781931 626860947 /nfs/dbraw/zinc/86/09/47/626860947.db2.gz YDDNZIDYTYEMNS-GOSISDBHSA-N 2 1 323.912 3.143 20 0 DGADMP CC(C)n1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809739082 626944020 /nfs/dbraw/zinc/94/40/20/626944020.db2.gz WXVCJDGLVNEWEH-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886017072 627085148 /nfs/dbraw/zinc/08/51/48/627085148.db2.gz RIICWMMESGLKBD-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP FC(F)(F)SCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081486 627099991 /nfs/dbraw/zinc/09/99/91/627099991.db2.gz QHQZMIHKNFYSST-AAEUAGOBSA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081486 627099995 /nfs/dbraw/zinc/09/99/95/627099995.db2.gz QHQZMIHKNFYSST-AAEUAGOBSA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081486 627099998 /nfs/dbraw/zinc/09/99/98/627099998.db2.gz QHQZMIHKNFYSST-AAEUAGOBSA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000886081486 627100000 /nfs/dbraw/zinc/10/00/00/627100000.db2.gz QHQZMIHKNFYSST-AAEUAGOBSA-N 2 1 308.413 3.188 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127698 627109139 /nfs/dbraw/zinc/10/91/39/627109139.db2.gz QIUMRDXXVBRBBH-CBVHJVASSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000886218506 627122641 /nfs/dbraw/zinc/12/26/41/627122641.db2.gz XIEPIOLCGIOTRT-ICSRJNTNSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000886218506 627122643 /nfs/dbraw/zinc/12/26/43/627122643.db2.gz XIEPIOLCGIOTRT-ICSRJNTNSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000886218506 627122647 /nfs/dbraw/zinc/12/26/47/627122647.db2.gz XIEPIOLCGIOTRT-ICSRJNTNSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000886315559 627135525 /nfs/dbraw/zinc/13/55/25/627135525.db2.gz RXPXDQSKKCKLLR-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP Clc1cc(C[NH+]2C[C@@H]3C[C@@H]3C2)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886348499 627141660 /nfs/dbraw/zinc/14/16/60/627141660.db2.gz NCRMBYZTMKBKKZ-WNKDZCFJSA-N 2 1 302.849 3.243 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886518849 627156160 /nfs/dbraw/zinc/15/61/60/627156160.db2.gz HUWMQRMKSUWGDL-QGZVFWFLSA-N 2 1 312.392 3.479 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n[nH]1 ZINC000886551435 627161399 /nfs/dbraw/zinc/16/13/99/627161399.db2.gz HYWOSNHBGPSRHQ-NXVRBGIVSA-N 2 1 304.482 3.036 20 0 DGADMP CO[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886596491 627169714 /nfs/dbraw/zinc/16/97/14/627169714.db2.gz GVBNCIMUFPGKMC-FQQAFBJJSA-N 2 1 302.462 3.053 20 0 DGADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886596492 627169951 /nfs/dbraw/zinc/16/99/51/627169951.db2.gz GVBNCIMUFPGKMC-JAQSECSASA-N 2 1 302.462 3.053 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCSC(F)(F)F)CC2)[nH+]c1C ZINC000886659613 627182634 /nfs/dbraw/zinc/18/26/34/627182634.db2.gz QTCSUPFZILKWGA-UHFFFAOYSA-N 2 1 307.385 3.459 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH+]c1C ZINC000886670531 627185762 /nfs/dbraw/zinc/18/57/62/627185762.db2.gz QXLRGXWTNSEDHC-UHFFFAOYSA-N 2 1 317.408 3.424 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000886725502 627197694 /nfs/dbraw/zinc/19/76/94/627197694.db2.gz BUANTVDOZPHNOQ-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886727367 627197804 /nfs/dbraw/zinc/19/78/04/627197804.db2.gz XZNVJWXWJDGJLX-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Br)c3ccccc3c2)C1 ZINC000886828166 627209746 /nfs/dbraw/zinc/20/97/46/627209746.db2.gz YQJVHOVRZQYYQV-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Br)c3ccccc3c2)C1 ZINC000886828166 627209747 /nfs/dbraw/zinc/20/97/47/627209747.db2.gz YQJVHOVRZQYYQV-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886870097 627211770 /nfs/dbraw/zinc/21/17/70/627211770.db2.gz PMQDMMGZXBNCBK-HXUWFJFHSA-N 2 1 316.489 3.101 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000886873997 627212008 /nfs/dbraw/zinc/21/20/08/627212008.db2.gz DEAWGVVQCYHLNC-HXUWFJFHSA-N 2 1 322.456 3.109 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000886873997 627212010 /nfs/dbraw/zinc/21/20/10/627212010.db2.gz DEAWGVVQCYHLNC-HXUWFJFHSA-N 2 1 322.456 3.109 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCC(F)(F)F ZINC000887132531 627227863 /nfs/dbraw/zinc/22/78/63/627227863.db2.gz HVVOBAWBFFZICN-ZDUSSCGKSA-N 2 1 301.356 3.325 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790783 627512098 /nfs/dbraw/zinc/51/20/98/627512098.db2.gz XYNNYKAYFBWELJ-QFMLELGNSA-N 2 1 314.473 3.339 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056520 627620077 /nfs/dbraw/zinc/62/00/77/627620077.db2.gz DTDDQZRECMTDHS-BHYGNILZSA-N 2 1 316.445 3.271 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056520 627620081 /nfs/dbraw/zinc/62/00/81/627620081.db2.gz DTDDQZRECMTDHS-BHYGNILZSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056520 627620084 /nfs/dbraw/zinc/62/00/84/627620084.db2.gz DTDDQZRECMTDHS-BHYGNILZSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056520 627620089 /nfs/dbraw/zinc/62/00/89/627620089.db2.gz DTDDQZRECMTDHS-BHYGNILZSA-N 2 1 316.445 3.271 20 0 DGADMP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC[NH+](C(C)C)C(C)C)n(C)n1 ZINC000924554717 627648868 /nfs/dbraw/zinc/64/88/68/627648868.db2.gz DBPSLLYKHSGZHK-MJGOQNOKSA-N 2 1 320.525 3.148 20 0 DGADMP C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000924584412 627652668 /nfs/dbraw/zinc/65/26/68/627652668.db2.gz JOAVTIXJOVHSSA-QAPCUYQASA-N 2 1 312.461 3.173 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccnnc1 ZINC000924586458 627653294 /nfs/dbraw/zinc/65/32/94/627653294.db2.gz KHLKCLUACOCMIF-MRXNPFEDSA-N 2 1 310.445 3.313 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cn(C)cn1 ZINC000924587869 627653536 /nfs/dbraw/zinc/65/35/36/627653536.db2.gz XCXBXSVNTAASMK-INIZCTEOSA-N 2 1 312.461 3.257 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924597048 627654896 /nfs/dbraw/zinc/65/48/96/627654896.db2.gz CHZYNGZVDUOMRP-IBGZPJMESA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000924660512 627664520 /nfs/dbraw/zinc/66/45/20/627664520.db2.gz OFRLOADBDRXZAF-FQEVSTJZSA-N 2 1 321.553 3.353 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000924684342 627666414 /nfs/dbraw/zinc/66/64/14/627666414.db2.gz DZRMMGRLDHCXGV-CEXWTWQISA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924684895 627667211 /nfs/dbraw/zinc/66/72/11/627667211.db2.gz HBRXHNXHVKNQNC-NEWSRXKRSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924689064 627668251 /nfs/dbraw/zinc/66/82/51/627668251.db2.gz WISRHJSSSJDAPS-LPHOPBHVSA-N 2 1 308.510 3.293 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000924705058 627670533 /nfs/dbraw/zinc/67/05/33/627670533.db2.gz KFZLMXDYSGHPEA-SFTDATJTSA-N 2 1 323.484 3.167 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924750970 627676520 /nfs/dbraw/zinc/67/65/20/627676520.db2.gz HUTYLWKQEWQECP-MAUKXSAKSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924750970 627676523 /nfs/dbraw/zinc/67/65/23/627676523.db2.gz HUTYLWKQEWQECP-MAUKXSAKSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924856005 627687793 /nfs/dbraw/zinc/68/77/93/627687793.db2.gz ZWYRTVHWNPXPMD-WMZOPIPTSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924856005 627687795 /nfs/dbraw/zinc/68/77/95/627687795.db2.gz ZWYRTVHWNPXPMD-WMZOPIPTSA-N 2 1 310.445 3.039 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1O ZINC000924899810 627692104 /nfs/dbraw/zinc/69/21/04/627692104.db2.gz IRXAQOWUWAYXGS-UHFFFAOYSA-N 2 1 306.450 3.001 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924954775 627697372 /nfs/dbraw/zinc/69/73/72/627697372.db2.gz WZRBHTAEDLZXQU-KGLIPLIRSA-N 2 1 301.438 3.100 20 0 DGADMP Cc1ccc([C@@H](NC[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011458 627701144 /nfs/dbraw/zinc/70/11/44/627701144.db2.gz QGXGHWCLAYFQLA-YLJYHZDGSA-N 2 1 309.457 3.411 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1coc2ccccc21 ZINC000925024818 627701939 /nfs/dbraw/zinc/70/19/39/627701939.db2.gz XYEZHBQSHWYKMX-HZPDHXFCSA-N 2 1 316.445 3.320 20 0 DGADMP CC[C@@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925122214 627711093 /nfs/dbraw/zinc/71/10/93/627711093.db2.gz QIZCTOYMEVGTLQ-UMQXSMKFSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925134846 627711623 /nfs/dbraw/zinc/71/16/23/627711623.db2.gz TYLWZEMQGAQJLW-HNNXBMFYSA-N 2 1 304.825 3.297 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000925228608 627721229 /nfs/dbraw/zinc/72/12/29/627721229.db2.gz IPMXDCUNSHCRKQ-DSJDWBEOSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000925228608 627721230 /nfs/dbraw/zinc/72/12/30/627721230.db2.gz IPMXDCUNSHCRKQ-DSJDWBEOSA-N 2 1 316.489 3.300 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925496392 627742393 /nfs/dbraw/zinc/74/23/93/627742393.db2.gz YQWDWVKNUQLZGG-HKUYNNGSSA-N 2 1 315.505 3.147 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925496393 627742598 /nfs/dbraw/zinc/74/25/98/627742598.db2.gz YQWDWVKNUQLZGG-IEBWSBKVSA-N 2 1 315.505 3.147 20 0 DGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925549600 627752430 /nfs/dbraw/zinc/75/24/30/627752430.db2.gz WSHHTADQELRBJW-LMSBXDPUSA-N 2 1 300.446 3.185 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605182 627761556 /nfs/dbraw/zinc/76/15/56/627761556.db2.gz DIGLEDQGFBSZGE-MOPGFXCFSA-N 3 1 303.494 3.177 20 0 DGADMP CC(C)[C@H](CN[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605182 627761559 /nfs/dbraw/zinc/76/15/59/627761559.db2.gz DIGLEDQGFBSZGE-MOPGFXCFSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000925617585 627763315 /nfs/dbraw/zinc/76/33/15/627763315.db2.gz XLKXRUYXRBMSEA-ZIFCJYIRSA-N 2 1 324.472 3.428 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925618460 627763819 /nfs/dbraw/zinc/76/38/19/627763819.db2.gz WEHMWBACUIUJGH-ARFHVFGLSA-N 2 1 307.482 3.158 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000925617584 627763828 /nfs/dbraw/zinc/76/38/28/627763828.db2.gz XLKXRUYXRBMSEA-LNLFQRSKSA-N 2 1 324.472 3.428 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCN[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623911 627764302 /nfs/dbraw/zinc/76/43/02/627764302.db2.gz VUNWFUFLUBQCQX-UMGGQSCQSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000925623911 627764306 /nfs/dbraw/zinc/76/43/06/627764306.db2.gz VUNWFUFLUBQCQX-UMGGQSCQSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623911 627764309 /nfs/dbraw/zinc/76/43/09/627764309.db2.gz VUNWFUFLUBQCQX-UMGGQSCQSA-N 3 1 315.505 3.017 20 0 DGADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925644575 627768978 /nfs/dbraw/zinc/76/89/78/627768978.db2.gz NFCHCFIYDVAFHJ-STQMWFEESA-N 2 1 320.868 3.222 20 0 DGADMP Fc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925647695 627769453 /nfs/dbraw/zinc/76/94/53/627769453.db2.gz FTCIGZDFZSHWQG-FGTMMUONSA-N 2 1 318.436 3.310 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000925672784 627774474 /nfs/dbraw/zinc/77/44/74/627774474.db2.gz JPRWNKKCIUWJFU-HRCADAONSA-N 2 1 312.461 3.429 20 0 DGADMP Clc1cccc(CC2([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)c1 ZINC000925687218 627776432 /nfs/dbraw/zinc/77/64/32/627776432.db2.gz GKPFHQKJCJQRHL-AYIQCDPPSA-N 2 1 302.849 3.001 20 0 DGADMP [NH3+]CCC[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000925696270 627778389 /nfs/dbraw/zinc/77/83/89/627778389.db2.gz JZXTWCZRNMYSAC-CYBMUJFWSA-N 2 1 324.350 3.065 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773583 627792780 /nfs/dbraw/zinc/79/27/80/627792780.db2.gz DSWKSRQFMUHSLO-OTWHNJEPSA-N 2 1 314.473 3.419 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925780560 627794307 /nfs/dbraw/zinc/79/43/07/627794307.db2.gz TUCHSOLQNQBDJA-PWSUYJOCSA-N 2 1 320.330 3.183 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(F)c1 ZINC000925784928 627795716 /nfs/dbraw/zinc/79/57/16/627795716.db2.gz SZHKVHQAKVBJRT-SWLSCSKDSA-N 2 1 318.358 3.496 20 0 DGADMP C1C[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2(C1)CCCCC2 ZINC000925799310 627796890 /nfs/dbraw/zinc/79/68/90/627796890.db2.gz SKLLTJPWSAXHST-DLBZAZTESA-N 2 1 306.494 3.238 20 0 DGADMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925830231 627801625 /nfs/dbraw/zinc/80/16/25/627801625.db2.gz GHTWMLBMUCIRNV-KFWWJZLASA-N 2 1 319.518 3.422 20 0 DGADMP c1c[nH]c([C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C2CCCCC2)n1 ZINC000925842155 627804170 /nfs/dbraw/zinc/80/41/70/627804170.db2.gz XHKDCIGOCFOAMA-JFIYKMOQSA-N 2 1 302.466 3.153 20 0 DGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(Cl)cc1 ZINC000925848210 627805832 /nfs/dbraw/zinc/80/58/32/627805832.db2.gz CIDKAGWAFHYQTH-OAHLLOKOSA-N 2 1 309.885 3.066 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2)[C@H]1CCC[NH2+]C1 ZINC000925888939 627813021 /nfs/dbraw/zinc/81/30/21/627813021.db2.gz HLAMWXQRZPGFEF-DYEKYZERSA-N 2 1 308.853 3.314 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000926120207 627847537 /nfs/dbraw/zinc/84/75/37/627847537.db2.gz VQLGCUJOTLXUQB-HRCADAONSA-N 2 1 317.477 3.394 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000926120207 627847538 /nfs/dbraw/zinc/84/75/38/627847538.db2.gz VQLGCUJOTLXUQB-HRCADAONSA-N 2 1 317.477 3.394 20 0 DGADMP C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926336825 627881659 /nfs/dbraw/zinc/88/16/59/627881659.db2.gz HUENAKVRDHMYTC-PBPGXSGUSA-N 2 1 315.505 3.416 20 0 DGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926336825 627881660 /nfs/dbraw/zinc/88/16/60/627881660.db2.gz HUENAKVRDHMYTC-PBPGXSGUSA-N 3 1 315.505 3.416 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)C2)CO1 ZINC000926352659 627883347 /nfs/dbraw/zinc/88/33/47/627883347.db2.gz XUOBRGWZBIFARE-MEWCUZTCSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457438 627899076 /nfs/dbraw/zinc/89/90/76/627899076.db2.gz PRFZSLLSIJQMIJ-IEBWSBKVSA-N 2 1 324.472 3.430 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457438 627899080 /nfs/dbraw/zinc/89/90/80/627899080.db2.gz PRFZSLLSIJQMIJ-IEBWSBKVSA-N 2 1 324.472 3.430 20 0 DGADMP C[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926468578 627900182 /nfs/dbraw/zinc/90/01/82/627900182.db2.gz HVPBDIMTGAOKCT-PANBIXPWSA-N 2 1 314.473 3.197 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)O ZINC000926525278 627908893 /nfs/dbraw/zinc/90/88/93/627908893.db2.gz JNOPOOVNGHPVTL-VNVJMFPYSA-N 2 1 316.489 3.321 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)C1 ZINC000926692861 627934206 /nfs/dbraw/zinc/93/42/06/627934206.db2.gz ZMSBKLAQEWCOKA-IBGZPJMESA-N 2 1 314.473 3.066 20 0 DGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739218 627944082 /nfs/dbraw/zinc/94/40/82/627944082.db2.gz PMZIDGICQDFAQJ-CEXWTWQISA-N 2 1 308.510 3.029 20 0 DGADMP C([NH2+][C@H]1CCOC12CCCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739422 627944099 /nfs/dbraw/zinc/94/40/99/627944099.db2.gz RTGJYNDQUUYBJV-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)oc21 ZINC000817866008 627951682 /nfs/dbraw/zinc/95/16/82/627951682.db2.gz RXYGEMFURTYESU-GUTXKFCHSA-N 2 1 302.418 3.247 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)oc21 ZINC000817866010 627951863 /nfs/dbraw/zinc/95/18/63/627951863.db2.gz RXYGEMFURTYESU-NFAWXSAZSA-N 2 1 302.418 3.247 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897426 627955254 /nfs/dbraw/zinc/95/52/54/627955254.db2.gz OWBCEFHUPSJCCX-VQIMIIECSA-N 3 1 307.526 3.009 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000817916663 627960210 /nfs/dbraw/zinc/96/02/10/627960210.db2.gz JJPKJXXEPDIEHA-IKGGRYGDSA-N 2 1 320.795 3.247 20 0 DGADMP C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000817928643 627963966 /nfs/dbraw/zinc/96/39/66/627963966.db2.gz ZPMNNHZOJJQVHE-JXFKEZNVSA-N 2 1 324.472 3.057 20 0 DGADMP C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000817928650 627964173 /nfs/dbraw/zinc/96/41/73/627964173.db2.gz ZPMNNHZOJJQVHE-OXQOHEQNSA-N 2 1 324.472 3.057 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Br)nc1 ZINC000817938874 627967535 /nfs/dbraw/zinc/96/75/35/627967535.db2.gz UTEVPYOWZXDCKG-LLVKDONJSA-N 2 1 312.255 3.156 20 0 DGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC3(C1)CCCCC3)C2 ZINC000926879358 627968396 /nfs/dbraw/zinc/96/83/96/627968396.db2.gz KBWUNUWGZIIKIQ-MLYOOKFZSA-N 2 1 320.521 3.169 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC3(C1)CCCCC3)C2 ZINC000926879362 627968492 /nfs/dbraw/zinc/96/84/92/627968492.db2.gz KBWUNUWGZIIKIQ-XSYGEPLQSA-N 2 1 320.521 3.169 20 0 DGADMP C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926893458 627973077 /nfs/dbraw/zinc/97/30/77/627973077.db2.gz GYIPVAZIEVVVCB-KBXCAEBGSA-N 2 1 310.445 3.340 20 0 DGADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1SC(F)F ZINC000817961091 627976080 /nfs/dbraw/zinc/97/60/80/627976080.db2.gz UNJITEVISWVTLW-SKDRFNHKSA-N 2 1 316.417 3.398 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000817980329 627982575 /nfs/dbraw/zinc/98/25/75/627982575.db2.gz UDEIEYYSSKBKMH-KOLCDFICSA-N 2 1 304.406 3.398 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000926940218 627985741 /nfs/dbraw/zinc/98/57/41/627985741.db2.gz IFYMWDVTJIHWAX-GBYFWLHCSA-N 2 1 323.440 3.422 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000927019946 627999009 /nfs/dbraw/zinc/99/90/09/627999009.db2.gz UYDFOFMBPSLLIQ-KSSFIOAISA-N 2 1 301.434 3.382 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000927019423 627999112 /nfs/dbraw/zinc/99/91/12/627999112.db2.gz SJAYJFXDPYCTOF-HAGHYFMRSA-N 2 1 316.489 3.323 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)[C@@H](C)C1 ZINC000927114655 628018622 /nfs/dbraw/zinc/01/86/22/628018622.db2.gz GJIUDNMMKSDVKG-WDSOQIARSA-N 2 1 302.462 3.012 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000818960078 628067080 /nfs/dbraw/zinc/06/70/80/628067080.db2.gz XHZNICKLAYDWSX-HKUYNNGSSA-N 2 1 304.478 3.273 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818959044 628067426 /nfs/dbraw/zinc/06/74/26/628067426.db2.gz BASUWRJWVHYBOU-MAUKXSAKSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000818960379 628067874 /nfs/dbraw/zinc/06/78/74/628067874.db2.gz YSZKFKMACUYYDF-YJBOKZPZSA-N 2 1 324.896 3.475 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000818970313 628069540 /nfs/dbraw/zinc/06/95/40/628069540.db2.gz MKMDSCROAJAJDN-LJQANCHMSA-N 2 1 316.420 3.101 20 0 DGADMP Cc1[nH+]cn(-c2ccc(NC(=O)CC[NH2+]C(C)(C)C)cc2)c1C ZINC000819994123 628210280 /nfs/dbraw/zinc/21/02/80/628210280.db2.gz OJJOFLCFCPAPBJ-UHFFFAOYSA-N 2 1 314.433 3.206 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000820811253 628299603 /nfs/dbraw/zinc/29/96/03/628299603.db2.gz NRVQUDNCHLPFHO-JQWQUYJUSA-N 2 1 304.478 3.082 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1c(C)noc1C ZINC000820829637 628302098 /nfs/dbraw/zinc/30/20/98/628302098.db2.gz LDEHCMNXIMKZLN-CVGRLMLNSA-N 2 1 303.450 3.490 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1c(C)noc1C ZINC000820829637 628302101 /nfs/dbraw/zinc/30/21/01/628302101.db2.gz LDEHCMNXIMKZLN-CVGRLMLNSA-N 2 1 303.450 3.490 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000827177148 628932261 /nfs/dbraw/zinc/93/22/61/628932261.db2.gz DNPWYGXRNMNJLR-RDTXWAMCSA-N 2 1 315.461 3.127 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000827177145 628932290 /nfs/dbraw/zinc/93/22/90/628932290.db2.gz DNPWYGXRNMNJLR-KBXCAEBGSA-N 2 1 315.461 3.127 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958041 629008185 /nfs/dbraw/zinc/00/81/85/629008185.db2.gz QEOIWHBGIXTXCN-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958041 629008190 /nfs/dbraw/zinc/00/81/90/629008190.db2.gz QEOIWHBGIXTXCN-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958041 629008195 /nfs/dbraw/zinc/00/81/95/629008195.db2.gz QEOIWHBGIXTXCN-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958041 629008196 /nfs/dbraw/zinc/00/81/96/629008196.db2.gz QEOIWHBGIXTXCN-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP CN(CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000828456623 629056117 /nfs/dbraw/zinc/05/61/17/629056117.db2.gz GPUPZDLMVVWTSJ-UHFFFAOYSA-N 2 1 315.505 3.321 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1occc1Br)C1CC1 ZINC000835062710 629841893 /nfs/dbraw/zinc/84/18/93/629841893.db2.gz QVAJRHWYGFRQPV-UHFFFAOYSA-N 2 1 301.228 3.006 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841009944 630395361 /nfs/dbraw/zinc/39/53/61/630395361.db2.gz QYFPOHHHTUFBTE-FRQCXROJSA-N 2 1 322.468 3.205 20 0 DGADMP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841049156 630402573 /nfs/dbraw/zinc/40/25/73/630402573.db2.gz NQEWWYJNDHEBML-ZDUSSCGKSA-N 2 1 320.868 3.334 20 0 DGADMP CCCCCCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000841085577 630406322 /nfs/dbraw/zinc/40/63/22/630406322.db2.gz HKNOQEXQVLTDMB-IBGZPJMESA-N 2 1 320.477 3.114 20 0 DGADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H](O)c1ccc(F)cc1 ZINC000842472997 630539580 /nfs/dbraw/zinc/53/95/80/630539580.db2.gz LLYYTWGXQOXDOL-VQIMIIECSA-N 2 1 322.468 3.207 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000842472755 630539668 /nfs/dbraw/zinc/53/96/68/630539668.db2.gz JZQCIMDVWYVMEB-YSIASYRMSA-N 2 1 316.489 3.354 20 0 DGADMP OCCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842698344 630565116 /nfs/dbraw/zinc/56/51/16/630565116.db2.gz CHYHDCXIBQGJOS-IBGZPJMESA-N 2 1 316.489 3.326 20 0 DGADMP OCCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842698344 630565119 /nfs/dbraw/zinc/56/51/19/630565119.db2.gz CHYHDCXIBQGJOS-IBGZPJMESA-N 2 1 316.489 3.326 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)oc21 ZINC000843059289 630609747 /nfs/dbraw/zinc/60/97/47/630609747.db2.gz JJZXWGNHLLGTLV-NUEKZKHPSA-N 2 1 300.402 3.001 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)oc21 ZINC000843118866 630615883 /nfs/dbraw/zinc/61/58/83/630615883.db2.gz PUEQVBDHHJLTPB-SFHVURJKSA-N 2 1 300.402 3.017 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)oc21 ZINC000843118866 630615886 /nfs/dbraw/zinc/61/58/86/630615886.db2.gz PUEQVBDHHJLTPB-SFHVURJKSA-N 2 1 300.402 3.017 20 0 DGADMP CCc1ccc(-c2noc(C[N@@H+](C)C3CCC([NH3+])CC3)n2)cc1 ZINC000843354025 630648787 /nfs/dbraw/zinc/64/87/87/630648787.db2.gz RHCCRYWRQZPVCQ-UHFFFAOYSA-N 2 1 314.433 3.001 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000843361406 630649925 /nfs/dbraw/zinc/64/99/25/630649925.db2.gz ZTYAWTGTGXXTIF-MQVJKMGUSA-N 2 1 308.853 3.453 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCCCCO)C2)s1 ZINC000844328880 630719410 /nfs/dbraw/zinc/71/94/10/630719410.db2.gz ZUEGMQHYNALWHL-QGZVFWFLSA-N 2 1 324.534 3.363 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCCCCO)C2)s1 ZINC000844328880 630719412 /nfs/dbraw/zinc/71/94/12/630719412.db2.gz ZUEGMQHYNALWHL-QGZVFWFLSA-N 2 1 324.534 3.363 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCCCCO)C2)s1 ZINC000844328880 630719413 /nfs/dbraw/zinc/71/94/13/630719413.db2.gz ZUEGMQHYNALWHL-QGZVFWFLSA-N 2 1 324.534 3.363 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846841466 631323775 /nfs/dbraw/zinc/32/37/75/631323775.db2.gz OCTBQRXIKNVONX-UHFFFAOYSA-N 2 1 313.848 3.428 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(Cl)n2C)c1 ZINC000848531277 631681122 /nfs/dbraw/zinc/68/11/22/631681122.db2.gz NHZZLBMGNMWNPY-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000848985369 631797098 /nfs/dbraw/zinc/79/70/98/631797098.db2.gz AAJXIDKLOQMRBK-HZPDHXFCSA-N 2 1 316.493 3.331 20 0 DGADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000848989445 631798986 /nfs/dbraw/zinc/79/89/86/631798986.db2.gz QVCRHSCWVCKIJA-NVXWUHKLSA-N 2 1 316.493 3.200 20 0 DGADMP C[C@H](NC(=[NH2+])NC[C@H](C)[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000848996609 631801306 /nfs/dbraw/zinc/80/13/06/631801306.db2.gz KISTVPJCGHMIRH-UWVGGRQHSA-N 2 1 317.264 3.118 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000848996098 631801636 /nfs/dbraw/zinc/80/16/36/631801636.db2.gz DSEAJMLTFLRZIR-HNNXBMFYSA-N 2 1 314.477 3.232 20 0 DGADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccc1 ZINC000849026403 631811116 /nfs/dbraw/zinc/81/11/16/631811116.db2.gz YOBFCJNXKSBENF-KRWDZBQOSA-N 2 1 300.450 3.420 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849029690 631812405 /nfs/dbraw/zinc/81/24/05/631812405.db2.gz HNROWLCOQVKPGO-WMZOPIPTSA-N 2 1 316.493 3.201 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000849349783 631900529 /nfs/dbraw/zinc/90/05/29/631900529.db2.gz IXZRTLLWRLPRMG-WQANXHIZSA-N 2 1 320.452 3.066 20 0 DGADMP C[C@@H](N)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486497 632006841 /nfs/dbraw/zinc/00/68/41/632006841.db2.gz HSNQQJVWBDYUKX-IEBWSBKVSA-N 2 1 303.494 3.321 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC000850517703 632177972 /nfs/dbraw/zinc/17/79/72/632177972.db2.gz ZLFBEOFLRZFJED-HXUWFJFHSA-N 2 1 310.441 3.090 20 0 DGADMP FC(F)OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000851799133 632497518 /nfs/dbraw/zinc/49/75/18/632497518.db2.gz QARXBTRUXIMQKG-GOSISDBHSA-N 2 1 324.415 3.214 20 0 DGADMP FC(F)OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000851799133 632497522 /nfs/dbraw/zinc/49/75/22/632497522.db2.gz QARXBTRUXIMQKG-GOSISDBHSA-N 2 1 324.415 3.214 20 0 DGADMP FC(F)OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000851799133 632497525 /nfs/dbraw/zinc/49/75/25/632497525.db2.gz QARXBTRUXIMQKG-GOSISDBHSA-N 2 1 324.415 3.214 20 0 DGADMP FC(F)OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000851799133 632497527 /nfs/dbraw/zinc/49/75/27/632497527.db2.gz QARXBTRUXIMQKG-GOSISDBHSA-N 2 1 324.415 3.214 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000072726259 660215442 /nfs/dbraw/zinc/21/54/42/660215442.db2.gz QUERYQXRGBFQSQ-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000700615664 660630892 /nfs/dbraw/zinc/63/08/92/660630892.db2.gz APHUMPBOTDBJIU-LJQANCHMSA-N 2 1 304.478 3.161 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)CC[C@H]1C(F)(F)F ZINC000700773408 660636121 /nfs/dbraw/zinc/63/61/21/660636121.db2.gz KIWMSUWIGFLKBU-KXUCPTDWSA-N 2 1 319.198 3.029 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@H]1C(F)(F)F ZINC000700773408 660636122 /nfs/dbraw/zinc/63/61/22/660636122.db2.gz KIWMSUWIGFLKBU-KXUCPTDWSA-N 2 1 319.198 3.029 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000708541429 660924066 /nfs/dbraw/zinc/92/40/66/660924066.db2.gz JZKDAFAOVAJOFB-JXFKEZNVSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cscc2Br)CC[NH2+]1 ZINC000709793880 660930613 /nfs/dbraw/zinc/93/06/13/660930613.db2.gz VIUPDXJWLSHPJN-QWRGUYRKSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000929642943 661324301 /nfs/dbraw/zinc/32/43/01/661324301.db2.gz CKZHRBXFVAEZOW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000929642943 661324304 /nfs/dbraw/zinc/32/43/04/661324304.db2.gz CKZHRBXFVAEZOW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+](CC(C)C)C[C@H](O)C[NH+]1CCCC1 ZINC000792928403 660994795 /nfs/dbraw/zinc/99/47/95/660994795.db2.gz VHHFCWQMCZEWRD-RTBURBONSA-N 2 1 318.505 3.471 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@@H+](CC(C)C)C[C@H](O)C[NH+]1CCCC1 ZINC000792928403 660994798 /nfs/dbraw/zinc/99/47/98/660994798.db2.gz VHHFCWQMCZEWRD-RTBURBONSA-N 2 1 318.505 3.471 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])Nc2ccccc2)C1 ZINC000066243356 655543792 /nfs/dbraw/zinc/54/37/92/655543792.db2.gz JNLSGPPKBWZRGH-IYBDPMFKSA-N 2 1 302.466 3.381 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000075681713 655564959 /nfs/dbraw/zinc/56/49/59/655564959.db2.gz OCJFTEDLBVIROE-KRWDZBQOSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000075681713 655564961 /nfs/dbraw/zinc/56/49/61/655564961.db2.gz OCJFTEDLBVIROE-KRWDZBQOSA-N 2 1 310.869 3.178 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933735856 655731404 /nfs/dbraw/zinc/73/14/04/655731404.db2.gz NRZJRYNYXHFGPY-CJNGLKHVSA-N 2 1 310.894 3.316 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933735856 655731405 /nfs/dbraw/zinc/73/14/05/655731405.db2.gz NRZJRYNYXHFGPY-CJNGLKHVSA-N 2 1 310.894 3.316 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCSc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933735856 655731406 /nfs/dbraw/zinc/73/14/06/655731406.db2.gz NRZJRYNYXHFGPY-CJNGLKHVSA-N 2 1 310.894 3.316 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933735856 655731407 /nfs/dbraw/zinc/73/14/07/655731407.db2.gz NRZJRYNYXHFGPY-CJNGLKHVSA-N 2 1 310.894 3.316 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735392 655731465 /nfs/dbraw/zinc/73/14/65/655731465.db2.gz XHUNKCSBWHBLDZ-WTGUMLROSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735392 655731467 /nfs/dbraw/zinc/73/14/67/655731467.db2.gz XHUNKCSBWHBLDZ-WTGUMLROSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735392 655731469 /nfs/dbraw/zinc/73/14/69/655731469.db2.gz XHUNKCSBWHBLDZ-WTGUMLROSA-N 2 1 314.473 3.180 20 0 DGADMP C[C@@H]1CCC[C@@](C[NH2+]CC2CCC3(CC2)OCCO3)([NH+](C)C)C1 ZINC000795903075 661178258 /nfs/dbraw/zinc/17/82/58/661178258.db2.gz NEMFMCMWECVJCK-SJLPKXTDSA-N 2 1 324.509 3.020 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(Cl)c1OC ZINC000091843953 655845217 /nfs/dbraw/zinc/84/52/17/655845217.db2.gz QYCJQAXTXIEJJN-UHFFFAOYSA-N 2 1 312.841 3.059 20 0 DGADMP C[C@]1(CN[C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724467 656045272 /nfs/dbraw/zinc/04/52/72/656045272.db2.gz NBRIFSXSZUWYFC-XUVXKRRUSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000309724467 656045275 /nfs/dbraw/zinc/04/52/75/656045275.db2.gz NBRIFSXSZUWYFC-XUVXKRRUSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724467 656045277 /nfs/dbraw/zinc/04/52/77/656045277.db2.gz NBRIFSXSZUWYFC-XUVXKRRUSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000313562913 656292645 /nfs/dbraw/zinc/29/26/45/656292645.db2.gz AYUPXOAZFCSGJQ-YYWHXJBOSA-N 2 1 324.468 3.363 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000313562913 656292649 /nfs/dbraw/zinc/29/26/49/656292649.db2.gz AYUPXOAZFCSGJQ-YYWHXJBOSA-N 2 1 324.468 3.363 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000318971576 656880673 /nfs/dbraw/zinc/88/06/73/656880673.db2.gz DWGIBBGLVMYGGI-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP c1csc(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000932204879 656965179 /nfs/dbraw/zinc/96/51/79/656965179.db2.gz SVLBKHPRVVXSJN-INIZCTEOSA-N 2 1 307.507 3.274 20 0 DGADMP c1csc(C[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000932204879 656965181 /nfs/dbraw/zinc/96/51/81/656965181.db2.gz SVLBKHPRVVXSJN-INIZCTEOSA-N 2 1 307.507 3.274 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(SC(F)(F)F)cc3)C[C@H]12 ZINC000261807857 657109619 /nfs/dbraw/zinc/10/96/19/657109619.db2.gz ZIWCLDWZUJRXKB-FPMFFAJLSA-N 2 1 316.392 3.468 20 0 DGADMP Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261960245 657264094 /nfs/dbraw/zinc/26/40/94/657264094.db2.gz HESWMGRPGPSHRM-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1cccs1 ZINC000178977093 657377442 /nfs/dbraw/zinc/37/74/42/657377442.db2.gz FKHAGNVEHOIAEO-IAGOWNOFSA-N 2 1 322.518 3.416 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1cccs1 ZINC000178977077 657377599 /nfs/dbraw/zinc/37/75/99/657377599.db2.gz FKHAGNVEHOIAEO-DLBZAZTESA-N 2 1 322.518 3.416 20 0 DGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964014844 658259717 /nfs/dbraw/zinc/25/97/17/658259717.db2.gz DZJJDQHNGVXOOS-DAWZGUTISA-N 2 1 323.525 3.017 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)C[NH+]1CCCC1 ZINC000322591902 658540886 /nfs/dbraw/zinc/54/08/86/658540886.db2.gz KDJTUSSPHSDCON-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000172480623 659339072 /nfs/dbraw/zinc/33/90/72/659339072.db2.gz CCVORHGGBWVZRQ-UHFFFAOYSA-N 2 1 308.495 3.014 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000172480623 659339075 /nfs/dbraw/zinc/33/90/75/659339075.db2.gz CCVORHGGBWVZRQ-UHFFFAOYSA-N 2 1 308.495 3.014 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCCCCO)C2)CC1 ZINC000173593988 659393317 /nfs/dbraw/zinc/39/33/17/659393317.db2.gz OMLLXMDVRLZTNE-LJQANCHMSA-N 2 1 310.526 3.373 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNCc2cc3cccc(OC)c3o2)C1 ZINC000069160394 659977927 /nfs/dbraw/zinc/97/79/27/659977927.db2.gz CKZKLRUACTXNBF-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000069160394 659977928 /nfs/dbraw/zinc/97/79/28/659977928.db2.gz CKZKLRUACTXNBF-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000069160394 659977930 /nfs/dbraw/zinc/97/79/30/659977930.db2.gz CKZKLRUACTXNBF-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174046 660040367 /nfs/dbraw/zinc/04/03/67/660040367.db2.gz SAOZJTRHBSKUOY-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174046 660040368 /nfs/dbraw/zinc/04/03/68/660040368.db2.gz SAOZJTRHBSKUOY-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H](c1ncccn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000929485950 661311654 /nfs/dbraw/zinc/31/16/54/661311654.db2.gz QFHGTGWJEVMYSR-KRWDZBQOSA-N 2 1 324.472 3.382 20 0 DGADMP C[C@@H](c1ncccn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000929485950 661311657 /nfs/dbraw/zinc/31/16/57/661311657.db2.gz QFHGTGWJEVMYSR-KRWDZBQOSA-N 2 1 324.472 3.382 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642943 661324297 /nfs/dbraw/zinc/32/42/97/661324297.db2.gz CKZHRBXFVAEZOW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642943 661324299 /nfs/dbraw/zinc/32/42/99/661324299.db2.gz CKZHRBXFVAEZOW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP CCN1CC[C@H]([N@@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)C[C@H]1C ZINC000929782507 661337705 /nfs/dbraw/zinc/33/77/05/661337705.db2.gz VVKXMVRINGDLCB-UXLLHSPISA-N 2 1 318.461 3.016 20 0 DGADMP COC/C(C)=C/C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000930374566 661392871 /nfs/dbraw/zinc/39/28/71/661392871.db2.gz XAKYZIPDFBLRDO-QRMGNNRRSA-N 2 1 322.518 3.403 20 0 DGADMP COC/C(C)=C/C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000930374566 661392872 /nfs/dbraw/zinc/39/28/72/661392872.db2.gz XAKYZIPDFBLRDO-QRMGNNRRSA-N 2 1 322.518 3.403 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C3CC(OCc4ccccc4)C3)C2)C1 ZINC000930576580 661412534 /nfs/dbraw/zinc/41/25/34/661412534.db2.gz FLQCCLPZADETQU-SOAGJPPSSA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C3CC(OCc4ccccc4)C3)C2)C1 ZINC000930576580 661412536 /nfs/dbraw/zinc/41/25/36/661412536.db2.gz FLQCCLPZADETQU-SOAGJPPSSA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C3CC(OCc4ccccc4)C3)C2)C1 ZINC000930576580 661412537 /nfs/dbraw/zinc/41/25/37/661412537.db2.gz FLQCCLPZADETQU-SOAGJPPSSA-N 2 1 314.473 3.152 20 0 DGADMP C(C1CCC2(CC2)CC1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284073 661463980 /nfs/dbraw/zinc/46/39/80/661463980.db2.gz NMIKSWQDDPMRKR-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP C(C1CCC2(CC2)CC1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284073 661463982 /nfs/dbraw/zinc/46/39/82/661463982.db2.gz NMIKSWQDDPMRKR-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310898 661465832 /nfs/dbraw/zinc/46/58/32/661465832.db2.gz JQNUMUONFAESLE-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436640 661476048 /nfs/dbraw/zinc/47/60/48/661476048.db2.gz JTWRMFJSJYUOPU-DOTOQJQBSA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436640 661476050 /nfs/dbraw/zinc/47/60/50/661476050.db2.gz JTWRMFJSJYUOPU-DOTOQJQBSA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436640 661476051 /nfs/dbraw/zinc/47/60/51/661476051.db2.gz JTWRMFJSJYUOPU-DOTOQJQBSA-N 2 1 301.478 3.151 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)C[C@@H]2C1 ZINC000931433350 661476354 /nfs/dbraw/zinc/47/63/54/661476354.db2.gz YVLGEYXABGLKHC-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]2C1 ZINC000931433350 661476356 /nfs/dbraw/zinc/47/63/56/661476356.db2.gz YVLGEYXABGLKHC-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]2C1 ZINC000931433350 661476359 /nfs/dbraw/zinc/47/63/59/661476359.db2.gz YVLGEYXABGLKHC-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2cccc(C)c2)CC1 ZINC000931463910 661479137 /nfs/dbraw/zinc/47/91/37/661479137.db2.gz GVRXYPWOHNXJSW-IBGZPJMESA-N 2 1 316.489 3.369 20 0 DGADMP Nc1ccnc2c1CN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000931510146 661483821 /nfs/dbraw/zinc/48/38/21/661483821.db2.gz UAPBQNJDETUXFD-UHFFFAOYSA-N 2 1 307.319 3.241 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000931703648 661500092 /nfs/dbraw/zinc/50/00/92/661500092.db2.gz LSLORRREJOYOSP-HUUCEWRRSA-N 2 1 322.415 3.294 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]c1C ZINC000931748860 661504784 /nfs/dbraw/zinc/50/47/84/661504784.db2.gz OKTNTNSJPNGINA-VIKVFOODSA-N 2 1 305.466 3.410 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932200483 661548670 /nfs/dbraw/zinc/54/86/70/661548670.db2.gz QVVNTROLLFCBEV-INIZCTEOSA-N 2 1 318.490 3.383 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932200483 661548672 /nfs/dbraw/zinc/54/86/72/661548672.db2.gz QVVNTROLLFCBEV-INIZCTEOSA-N 2 1 318.490 3.383 20 0 DGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(F)ccc1OC ZINC000932476081 661572736 /nfs/dbraw/zinc/57/27/36/661572736.db2.gz XNNVOYQLPVCTJD-MRXNPFEDSA-N 2 1 305.397 3.470 20 0 DGADMP CO[C@@H](C)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548992 661640500 /nfs/dbraw/zinc/64/05/00/661640500.db2.gz XWQMLJDAZQKLNZ-KRWDZBQOSA-N 2 1 302.462 3.108 20 0 DGADMP C[C@@H]1CSCCC[NH+]1C/C=C\C[N@@H+]1CCCSC[C@@H]1C ZINC000934296465 661694138 /nfs/dbraw/zinc/69/41/38/661694138.db2.gz IEKYSJJIGPFIJK-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CSCCC[N@H+]1C/C=C\C[NH+]1CCCSC[C@@H]1C ZINC000934296465 661694140 /nfs/dbraw/zinc/69/41/40/661694140.db2.gz IEKYSJJIGPFIJK-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CSCCC[N@@H+]1C/C=C\C[NH+]1CCCSC[C@@H]1C ZINC000934296465 661694141 /nfs/dbraw/zinc/69/41/41/661694141.db2.gz IEKYSJJIGPFIJK-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934832209 661737847 /nfs/dbraw/zinc/73/78/47/661737847.db2.gz AATFWWBRKYFTCD-ZWKOTPCHSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934832209 661737851 /nfs/dbraw/zinc/73/78/51/661737851.db2.gz AATFWWBRKYFTCD-ZWKOTPCHSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934832208 661737971 /nfs/dbraw/zinc/73/79/71/661737971.db2.gz AATFWWBRKYFTCD-ROUUACIJSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934832208 661737973 /nfs/dbraw/zinc/73/79/73/661737973.db2.gz AATFWWBRKYFTCD-ROUUACIJSA-N 2 1 305.466 3.110 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000047973376 661883641 /nfs/dbraw/zinc/88/36/41/661883641.db2.gz OJNGMZRKAJCEKJ-UHFFFAOYSA-N 2 1 323.412 3.288 20 0 DGADMP CCC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000190282046 662026045 /nfs/dbraw/zinc/02/60/45/662026045.db2.gz SGUZESSWGLWVFD-QUCCMNQESA-N 2 1 314.473 3.342 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911005 662291123 /nfs/dbraw/zinc/29/11/23/662291123.db2.gz GGNAMNVBMIVRGG-UONOGXRCSA-N 2 1 317.458 3.337 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1Br)C1CCC([NH3+])CC1 ZINC000091847207 662321768 /nfs/dbraw/zinc/32/17/68/662321768.db2.gz ZHSSZQNJEZKMLE-UHFFFAOYSA-N 2 1 315.230 3.290 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCCC[NH3+] ZINC000382656543 685164625 /nfs/dbraw/zinc/16/46/25/685164625.db2.gz ARQNMGAGTIWVSE-GOSISDBHSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCCC[NH3+] ZINC000382656543 685164631 /nfs/dbraw/zinc/16/46/31/685164631.db2.gz ARQNMGAGTIWVSE-GOSISDBHSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCCC[NH3+] ZINC000382656543 685164635 /nfs/dbraw/zinc/16/46/35/685164635.db2.gz ARQNMGAGTIWVSE-GOSISDBHSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386048717 685176731 /nfs/dbraw/zinc/17/67/31/685176731.db2.gz UZJVSDRYVHFTRL-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389960326 685198142 /nfs/dbraw/zinc/19/81/42/685198142.db2.gz ZCVDXGVXODHRAL-UXDRXVOSSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCC[N@H+]1CCC1C[NH2+]C1 ZINC001576524744 1191837420 /nfs/dbraw/zinc/83/74/20/1191837420.db2.gz VRLQRIUWUMCZIN-KRWDZBQOSA-N 2 1 312.379 3.110 20 0 DGADMP C[C@@H]1C[C@@H](C[NH2+]CC(F)(F)c2ccc(F)cc2F)CC[NH2+]1 ZINC001576598061 1191849963 /nfs/dbraw/zinc/84/99/63/1191849963.db2.gz KDKANEDWWCXWOJ-MNOVXSKESA-N 2 1 304.331 3.034 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC[NH2+]1 ZINC001576596751 1191852279 /nfs/dbraw/zinc/85/22/79/1191852279.db2.gz ARXSOURHEJDSBU-BDXSIMOUSA-N 2 1 320.477 3.336 20 0 DGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001576750967 1191867302 /nfs/dbraw/zinc/86/73/02/1191867302.db2.gz XLPIDJIZXFTTSC-QWXYKEQDSA-N 2 1 302.462 3.273 20 0 DGADMP C[C@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CC[C@H]1[NH3+] ZINC001576808339 1191870011 /nfs/dbraw/zinc/87/00/11/1191870011.db2.gz BCCDSJLESOTOJA-IINYFYTJSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CC[C@H]1[NH3+] ZINC001576808339 1191870015 /nfs/dbraw/zinc/87/00/15/1191870015.db2.gz BCCDSJLESOTOJA-IINYFYTJSA-N 2 1 323.234 3.364 20 0 DGADMP CCC(CC)C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001577069881 1191882625 /nfs/dbraw/zinc/88/26/25/1191882625.db2.gz YUMNRGLVKCQCCB-RDJZCZTQSA-N 2 1 308.441 3.306 20 0 DGADMP CCN(c1ccccc1)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001577746096 1191914957 /nfs/dbraw/zinc/91/49/57/1191914957.db2.gz XVGMDQZRZFDPFK-PMOLBWCYSA-N 2 1 307.441 3.152 20 0 DGADMP CCOCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC001578121802 1191926984 /nfs/dbraw/zinc/92/69/84/1191926984.db2.gz FHPPMAVULCLNJU-GOSISDBHSA-N 2 1 306.450 3.057 20 0 DGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC001578737376 1191953356 /nfs/dbraw/zinc/95/33/56/1191953356.db2.gz WRYQCQVAJWQCDD-SFHVURJKSA-N 2 1 315.461 3.142 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001579307501 1191973845 /nfs/dbraw/zinc/97/38/45/1191973845.db2.gz UIIHGIGRPQAEMB-BRWVUGGUSA-N 2 1 302.462 3.250 20 0 DGADMP CC(C)CSCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001620542980 1191976447 /nfs/dbraw/zinc/97/64/47/1191976447.db2.gz PDAMKMURNUXAQC-INIZCTEOSA-N 2 1 307.507 3.371 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001579499387 1191978160 /nfs/dbraw/zinc/97/81/60/1191978160.db2.gz LTMFXEDKCVZZDK-MCYKXBRJSA-N 2 1 313.489 3.085 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC001579635266 1191983219 /nfs/dbraw/zinc/98/32/19/1191983219.db2.gz CJRLQAMFALVSEB-ARFHVFGLSA-N 2 1 302.466 3.321 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001579656215 1191984633 /nfs/dbraw/zinc/98/46/33/1191984633.db2.gz UAVAPELJDVUONV-GOSISDBHSA-N 2 1 324.472 3.253 20 0 DGADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCC3([NH3+])CCOCC3)C2)cc1 ZINC001579677794 1191986321 /nfs/dbraw/zinc/98/63/21/1191986321.db2.gz CHKMZLRSSZAAPY-FUHWJXTLSA-N 2 1 302.462 3.071 20 0 DGADMP Cc1scc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC001579937591 1192000057 /nfs/dbraw/zinc/00/00/57/1192000057.db2.gz ZCDLELKDKMRDEU-XIRDDKMYSA-N 2 1 308.491 3.083 20 0 DGADMP Clc1ccccc1N1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001579938510 1192000120 /nfs/dbraw/zinc/00/01/20/1192000120.db2.gz IQNPOBCLQYJVPA-INIZCTEOSA-N 2 1 321.896 3.242 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c(Cl)n1 ZINC001579961756 1192000904 /nfs/dbraw/zinc/00/09/04/1192000904.db2.gz UPQAEORITFJHKG-BBRMVZONSA-N 2 1 324.900 3.193 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc(Cl)cc2)CCC1 ZINC001580239554 1192015739 /nfs/dbraw/zinc/01/57/39/1192015739.db2.gz FWXTVZMPMBUSAQ-DLBZAZTESA-N 2 1 322.880 3.357 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@@H]1C(F)(F)F ZINC001580274215 1192018596 /nfs/dbraw/zinc/01/85/96/1192018596.db2.gz GKUQATYBYZOJMI-KGLIPLIRSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@@H]1C(F)(F)F ZINC001580274215 1192018599 /nfs/dbraw/zinc/01/85/99/1192018599.db2.gz GKUQATYBYZOJMI-KGLIPLIRSA-N 2 1 312.335 3.392 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001660894066 1196539608 /nfs/dbraw/zinc/53/96/08/1196539608.db2.gz YUGNTSRGIFFKEB-UHFFFAOYSA-N 2 1 318.383 3.448 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001660894066 1196539611 /nfs/dbraw/zinc/53/96/11/1196539611.db2.gz YUGNTSRGIFFKEB-UHFFFAOYSA-N 2 1 318.383 3.448 20 0 DGADMP c1cc(C2CCCC2)ccc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001580887738 1192044048 /nfs/dbraw/zinc/04/40/48/1192044048.db2.gz GMMMJMXDXCLHNT-UHFFFAOYSA-N 2 1 314.473 3.299 20 0 DGADMP OC[C@@H](C1CCC1)[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC001580882636 1192044123 /nfs/dbraw/zinc/04/41/23/1192044123.db2.gz WAQBAFXUGOLDSJ-ICSRJNTNSA-N 2 1 316.489 3.039 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)CC2 ZINC001620720610 1192074825 /nfs/dbraw/zinc/07/48/25/1192074825.db2.gz PQVQNLDHFGUVEM-FRQCXROJSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1)CC2 ZINC001620720610 1192074829 /nfs/dbraw/zinc/07/48/29/1192074829.db2.gz PQVQNLDHFGUVEM-FRQCXROJSA-N 2 1 316.489 3.263 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC001620873242 1192504664 /nfs/dbraw/zinc/50/46/64/1192504664.db2.gz UUMLVZIBRHADJK-HBMCJLEFSA-N 2 1 321.468 3.472 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001620897645 1192563002 /nfs/dbraw/zinc/56/30/02/1192563002.db2.gz QJWBBFCRLVORJA-HZPDHXFCSA-N 2 1 312.461 3.077 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001620897645 1192563005 /nfs/dbraw/zinc/56/30/05/1192563005.db2.gz QJWBBFCRLVORJA-HZPDHXFCSA-N 2 1 312.461 3.077 20 0 DGADMP CCO[C@H](C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001665624274 1197160086 /nfs/dbraw/zinc/16/00/86/1197160086.db2.gz VMCRZQUBZJLNHS-JJRVBVJISA-N 2 1 312.885 3.388 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001648813848 1176117445 /nfs/dbraw/zinc/11/74/45/1176117445.db2.gz BQJCYCGTCPMXSF-IRXDYDNUSA-N 2 1 303.494 3.210 20 0 DGADMP Cn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000080202005 1176241506 /nfs/dbraw/zinc/24/15/06/1176241506.db2.gz NWZFDRMSPBOYSB-UHFFFAOYSA-N 2 1 312.461 3.086 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000129472907 1176433805 /nfs/dbraw/zinc/43/38/05/1176433805.db2.gz KFZNVMGQAOJIFA-UHFFFAOYSA-N 2 1 304.478 3.185 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000395111656 1176786090 /nfs/dbraw/zinc/78/60/90/1176786090.db2.gz CIFBMIBRFYNGBF-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000395111656 1176786097 /nfs/dbraw/zinc/78/60/97/1176786097.db2.gz CIFBMIBRFYNGBF-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000228282925 1177165460 /nfs/dbraw/zinc/16/54/60/1177165460.db2.gz OYXNPRTUDDDRDN-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000228282925 1177165467 /nfs/dbraw/zinc/16/54/67/1177165467.db2.gz OYXNPRTUDDDRDN-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168460884 1177226008 /nfs/dbraw/zinc/22/60/08/1177226008.db2.gz OYIMDGTZXQCDNB-CHWSQXEVSA-N 2 1 316.367 3.390 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Br)cc1Cl ZINC001331417497 1178207905 /nfs/dbraw/zinc/20/79/05/1178207905.db2.gz BPDQUYQIFSIPGP-SECBINFHSA-N 2 1 305.647 3.190 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC001332834864 1178504397 /nfs/dbraw/zinc/50/43/97/1178504397.db2.gz WMUJYLSOAXWALP-AEFFLSMTSA-N 3 1 303.494 3.131 20 0 DGADMP Cn1cc([C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)cn1 ZINC001332876965 1178512916 /nfs/dbraw/zinc/51/29/16/1178512916.db2.gz GPELSCJIJOASOV-FGTMMUONSA-N 2 1 312.461 3.005 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]2C1 ZINC001333891057 1178691860 /nfs/dbraw/zinc/69/18/60/1178691860.db2.gz IVWZVSUWRGAQLN-FUHIMQAGSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccncc4s3)C[C@@H]2C1 ZINC001334356259 1178753387 /nfs/dbraw/zinc/75/33/87/1178753387.db2.gz KNIGBZWUFJRKPV-HRCADAONSA-N 2 1 315.486 3.458 20 0 DGADMP c1ccc(C2CC2)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001334401831 1178759405 /nfs/dbraw/zinc/75/94/05/1178759405.db2.gz JYPQKOIPXOBSAH-UHFFFAOYSA-N 2 1 314.473 3.297 20 0 DGADMP Cc1scc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1C ZINC001334401815 1178759547 /nfs/dbraw/zinc/75/95/47/1178759547.db2.gz JKTVPWNQTCGABW-UHFFFAOYSA-N 2 1 308.491 3.098 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3F)C[C@@H]2C1 ZINC001335133176 1178858664 /nfs/dbraw/zinc/85/86/64/1178858664.db2.gz DEACNJACTWVFQR-HLLBOEOZSA-N 2 1 308.416 3.169 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]2C1 ZINC001335134570 1178858851 /nfs/dbraw/zinc/85/88/51/1178858851.db2.gz TVABLSKBNOBCBR-SQWLQELKSA-N 2 1 305.491 3.183 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]2C1 ZINC001335134567 1178859053 /nfs/dbraw/zinc/85/90/53/1178859053.db2.gz TVABLSKBNOBCBR-IIAWOOMASA-N 2 1 305.491 3.183 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC001335581812 1178932792 /nfs/dbraw/zinc/93/27/92/1178932792.db2.gz FVWNYDHQAMQRJZ-YTQUADARSA-N 2 1 309.457 3.397 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2ncccn2)CC1)CC1CC1 ZINC001335600527 1178934962 /nfs/dbraw/zinc/93/49/62/1178934962.db2.gz UWYXLNSQDNICSI-INIZCTEOSA-N 2 1 316.493 3.372 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2ncccn2)CC1)CC1CC1 ZINC001335600527 1178934968 /nfs/dbraw/zinc/93/49/68/1178934968.db2.gz UWYXLNSQDNICSI-INIZCTEOSA-N 2 1 316.493 3.372 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC001345100635 1179526661 /nfs/dbraw/zinc/52/66/61/1179526661.db2.gz SOIXYMLXUAATOB-PMPSAXMXSA-N 2 1 312.461 3.130 20 0 DGADMP Cn1cc(-c2ccc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc2)cn1 ZINC001345100982 1179526673 /nfs/dbraw/zinc/52/66/73/1179526673.db2.gz YCHTUQDQZJZGEZ-IBGZPJMESA-N 2 1 312.461 3.084 20 0 DGADMP N[C@@H](c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298290 1179888530 /nfs/dbraw/zinc/88/85/30/1179888530.db2.gz CUYUKVGXLOMOIB-HZPDHXFCSA-N 2 1 312.417 3.197 20 0 DGADMP N[C@@H](c1noc([C@H]2CCCN2C2CCCC2)n1)c1ccccc1 ZINC001349298290 1179888537 /nfs/dbraw/zinc/88/85/37/1179888537.db2.gz CUYUKVGXLOMOIB-HZPDHXFCSA-N 2 1 312.417 3.197 20 0 DGADMP CCCc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC001349582226 1179918506 /nfs/dbraw/zinc/91/85/06/1179918506.db2.gz WEZOEEZHPNQQQX-XUVXKRRUSA-N 2 1 316.489 3.357 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)co3)C[C@H]2C1 ZINC001352114268 1180298676 /nfs/dbraw/zinc/29/86/76/1180298676.db2.gz ZTAQALZIFZYNCC-RRFJBIMHSA-N 2 1 305.466 3.134 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ncc(Cl)c3C3CC3)C[C@@H]2C1 ZINC001352758706 1180394156 /nfs/dbraw/zinc/39/41/56/1180394156.db2.gz BQHIJUZHDDVWHA-QLFBSQMISA-N 2 1 322.884 3.034 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])C[C@@H](C)CC)c2C1 ZINC001353527507 1180579842 /nfs/dbraw/zinc/57/98/42/1180579842.db2.gz VUAOMMKEOAHQTH-XJKSGUPXSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])C[C@@H](C)CC)c2C1 ZINC001353527507 1180579846 /nfs/dbraw/zinc/57/98/46/1180579846.db2.gz VUAOMMKEOAHQTH-XJKSGUPXSA-N 2 1 303.450 3.114 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001353712735 1180632622 /nfs/dbraw/zinc/63/26/22/1180632622.db2.gz AHAJUIHNQJHPHD-GOSISDBHSA-N 2 1 317.477 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@H]2C1 ZINC001355374423 1181047743 /nfs/dbraw/zinc/04/77/43/1181047743.db2.gz TYBCSMDKECZZNM-ZHALLVOQSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]2C1 ZINC001355374423 1181047746 /nfs/dbraw/zinc/04/77/46/1181047746.db2.gz TYBCSMDKECZZNM-ZHALLVOQSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]2C1 ZINC001355374423 1181047751 /nfs/dbraw/zinc/04/77/51/1181047751.db2.gz TYBCSMDKECZZNM-ZHALLVOQSA-N 2 1 324.472 3.239 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001356571305 1181217130 /nfs/dbraw/zinc/21/71/30/1181217130.db2.gz QMRMBJDPWVBTOG-JXFKEZNVSA-N 2 1 312.457 3.193 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001365616521 1181685021 /nfs/dbraw/zinc/68/50/21/1181685021.db2.gz SEZFDFWLPOTSTC-RDTXWAMCSA-N 2 1 317.477 3.228 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C(C)(C)C)c2c1OC(F)(F)O2 ZINC001652715432 1195639400 /nfs/dbraw/zinc/63/94/00/1195639400.db2.gz DPOKBGDTNQDILP-UHFFFAOYSA-N 2 1 314.376 3.300 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001452748639 1182299771 /nfs/dbraw/zinc/29/97/71/1182299771.db2.gz OKINNRXKGUAVIY-SFHVURJKSA-N 2 1 324.428 3.060 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001459574733 1182594479 /nfs/dbraw/zinc/59/44/79/1182594479.db2.gz PFXYCGBZUVLIGL-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[C@@](O)(C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC001459586424 1182596375 /nfs/dbraw/zinc/59/63/75/1182596375.db2.gz TZUNDPGWWGGTRL-UXHICEINSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@@](O)(C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001459586424 1182596381 /nfs/dbraw/zinc/59/63/81/1182596381.db2.gz TZUNDPGWWGGTRL-UXHICEINSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@@](O)(C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001459586424 1182596386 /nfs/dbraw/zinc/59/63/86/1182596386.db2.gz TZUNDPGWWGGTRL-UXHICEINSA-N 2 1 318.505 3.336 20 0 DGADMP CCCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC001459798900 1182618186 /nfs/dbraw/zinc/61/81/86/1182618186.db2.gz WVTMRDXCRYMEMY-MOPGFXCFSA-N 2 1 306.494 3.238 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827622 1182621279 /nfs/dbraw/zinc/62/12/79/1182621279.db2.gz WZAJTBLEZYDETO-WOJBJXKFSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827622 1182621282 /nfs/dbraw/zinc/62/12/82/1182621282.db2.gz WZAJTBLEZYDETO-WOJBJXKFSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)[C@H](C)[C@@H](C)[NH+]1Cc1ccccc1 ZINC001460341362 1182680235 /nfs/dbraw/zinc/68/02/35/1182680235.db2.gz GSJXNCGKYWPCFS-SOAMZJECSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001460341362 1182680238 /nfs/dbraw/zinc/68/02/38/1182680238.db2.gz GSJXNCGKYWPCFS-SOAMZJECSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001460341362 1182680242 /nfs/dbraw/zinc/68/02/42/1182680242.db2.gz GSJXNCGKYWPCFS-SOAMZJECSA-N 2 1 315.505 3.064 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC001461270342 1182790011 /nfs/dbraw/zinc/79/00/11/1182790011.db2.gz WPDPVLLLLYMZEO-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001461484996 1182818736 /nfs/dbraw/zinc/81/87/36/1182818736.db2.gz UEMRNLSTGLPKGN-IXDOHACOSA-N 2 1 312.498 3.208 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001461566434 1182828453 /nfs/dbraw/zinc/82/84/53/1182828453.db2.gz QRCYLFRIUSAWEL-MUYFXNHWSA-N 2 1 308.510 3.436 20 0 DGADMP COc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC001462079455 1182905845 /nfs/dbraw/zinc/90/58/45/1182905845.db2.gz JECBAUGOCGIGGN-HZPDHXFCSA-N 2 1 317.477 3.141 20 0 DGADMP COc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C ZINC001462079455 1182905848 /nfs/dbraw/zinc/90/58/48/1182905848.db2.gz JECBAUGOCGIGGN-HZPDHXFCSA-N 2 1 317.477 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC001462200687 1182921852 /nfs/dbraw/zinc/92/18/52/1182921852.db2.gz NUUJELUDJOAFKU-KRWDZBQOSA-N 2 1 320.452 3.388 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462199276 1182922135 /nfs/dbraw/zinc/92/21/35/1182922135.db2.gz HAYJALZMPJNLRR-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462199276 1182922141 /nfs/dbraw/zinc/92/21/41/1182922141.db2.gz HAYJALZMPJNLRR-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC001462199276 1182922146 /nfs/dbraw/zinc/92/21/46/1182922146.db2.gz HAYJALZMPJNLRR-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001462199276 1182922151 /nfs/dbraw/zinc/92/21/51/1182922151.db2.gz HAYJALZMPJNLRR-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP COc1ccc(SCC[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC001462200393 1182922441 /nfs/dbraw/zinc/92/24/41/1182922441.db2.gz IFCHIHGEXPKOPC-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC001462200393 1182922445 /nfs/dbraw/zinc/92/24/45/1182922445.db2.gz IFCHIHGEXPKOPC-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC001462200393 1182922450 /nfs/dbraw/zinc/92/24/50/1182922450.db2.gz IFCHIHGEXPKOPC-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+]CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001462193049 1182922723 /nfs/dbraw/zinc/92/27/23/1182922723.db2.gz SYRMCJPGJMLDHP-OAHLLOKOSA-N 2 1 322.493 3.301 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4ccc(F)cc4F)C3)[C@@H]2C1 ZINC001462671629 1182984261 /nfs/dbraw/zinc/98/42/61/1182984261.db2.gz RZXJFSUQEYJTQN-LKNKDIMQSA-N 2 1 306.400 3.141 20 0 DGADMP C[C@]1(Br)C[C@@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001462671123 1182984640 /nfs/dbraw/zinc/98/46/40/1182984640.db2.gz WHZIQAOSUCTVPV-RISCZKNCSA-N 2 1 303.288 3.012 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC001473174339 1183724255 /nfs/dbraw/zinc/72/42/55/1183724255.db2.gz SVRMFASLJZHLNY-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP CC[N@@H+](CCCO)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473197955 1183728711 /nfs/dbraw/zinc/72/87/11/1183728711.db2.gz DIELOWMTMZAPEO-UHFFFAOYSA-N 2 1 318.505 3.036 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001473219310 1183732428 /nfs/dbraw/zinc/73/24/28/1183732428.db2.gz FECCNKIWPCYBNW-FJIDUMEYSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001473219310 1183732430 /nfs/dbraw/zinc/73/24/30/1183732430.db2.gz FECCNKIWPCYBNW-FJIDUMEYSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001473219310 1183732433 /nfs/dbraw/zinc/73/24/33/1183732433.db2.gz FECCNKIWPCYBNW-FJIDUMEYSA-N 2 1 320.427 3.451 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H](C)C1 ZINC001473406194 1183754199 /nfs/dbraw/zinc/75/41/99/1183754199.db2.gz FSIWMFFABHYJJA-LSDHHAIUSA-N 2 1 324.431 3.446 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCN1c1cc[nH+]cc1 ZINC001473759885 1183799371 /nfs/dbraw/zinc/79/93/71/1183799371.db2.gz QPIQELYODIGWKA-LIRRHRJNSA-N 2 1 311.404 3.419 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001473781583 1183801663 /nfs/dbraw/zinc/80/16/63/1183801663.db2.gz RHLPLWYLUOTRKS-DLBZAZTESA-N 2 1 324.509 3.018 20 0 DGADMP CC[N@@H+](C)[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001473907704 1183823893 /nfs/dbraw/zinc/82/38/93/1183823893.db2.gz NXQBDMLMZMEXNG-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP Cc1cccn2c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cnc12 ZINC001474000141 1183846873 /nfs/dbraw/zinc/84/68/73/1183846873.db2.gz SMRFBLDFFMWLRJ-INIZCTEOSA-N 2 1 302.466 3.099 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC001474018693 1183850787 /nfs/dbraw/zinc/85/07/87/1183850787.db2.gz BIHOLCJXXQRIHZ-UHFFFAOYSA-N 2 1 309.360 3.363 20 0 DGADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001474016308 1183851711 /nfs/dbraw/zinc/85/17/11/1183851711.db2.gz PKPRUPILJQSELI-IYBDPMFKSA-N 2 1 308.441 3.113 20 0 DGADMP CCC[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001474380934 1183913550 /nfs/dbraw/zinc/91/35/50/1183913550.db2.gz HHJXNUSMAMKUNC-RBUKOAKNSA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001474380934 1183913551 /nfs/dbraw/zinc/91/35/51/1183913551.db2.gz HHJXNUSMAMKUNC-RBUKOAKNSA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001474380934 1183913552 /nfs/dbraw/zinc/91/35/52/1183913552.db2.gz HHJXNUSMAMKUNC-RBUKOAKNSA-N 2 1 304.478 3.255 20 0 DGADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001474473185 1183928687 /nfs/dbraw/zinc/92/86/87/1183928687.db2.gz KGIKUXSMZCZLHH-QZTJIDSGSA-N 2 1 307.526 3.127 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001474561006 1183940670 /nfs/dbraw/zinc/94/06/70/1183940670.db2.gz OIPMVQYPHPBXHD-UHFFFAOYSA-N 2 1 323.525 3.201 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001474561716 1183941330 /nfs/dbraw/zinc/94/13/30/1183941330.db2.gz UMQCQKNLRRFABG-QWFCFKBJSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474561716 1183941336 /nfs/dbraw/zinc/94/13/36/1183941336.db2.gz UMQCQKNLRRFABG-QWFCFKBJSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474561716 1183941341 /nfs/dbraw/zinc/94/13/41/1183941341.db2.gz UMQCQKNLRRFABG-QWFCFKBJSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001474611669 1183949582 /nfs/dbraw/zinc/94/95/82/1183949582.db2.gz NTLHZEBQPCFGHM-FQEVSTJZSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001474611669 1183949588 /nfs/dbraw/zinc/94/95/88/1183949588.db2.gz NTLHZEBQPCFGHM-FQEVSTJZSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001474611669 1183949593 /nfs/dbraw/zinc/94/95/93/1183949593.db2.gz NTLHZEBQPCFGHM-FQEVSTJZSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001474611669 1183949600 /nfs/dbraw/zinc/94/96/00/1183949600.db2.gz NTLHZEBQPCFGHM-FQEVSTJZSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001474611669 1183949606 /nfs/dbraw/zinc/94/96/06/1183949606.db2.gz NTLHZEBQPCFGHM-FQEVSTJZSA-N 2 1 317.521 3.219 20 0 DGADMP COC(=O)c1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC001474755444 1183973448 /nfs/dbraw/zinc/97/34/48/1183973448.db2.gz LZYMNIYVTXYQQJ-UHFFFAOYSA-N 2 1 318.461 3.134 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC001474755444 1183973449 /nfs/dbraw/zinc/97/34/49/1183973449.db2.gz LZYMNIYVTXYQQJ-UHFFFAOYSA-N 2 1 318.461 3.134 20 0 DGADMP CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001480317222 1184489848 /nfs/dbraw/zinc/48/98/48/1184489848.db2.gz AIDKAQCYFSTWGB-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480695934 1184578260 /nfs/dbraw/zinc/57/82/60/1184578260.db2.gz RKQONJIXCWHQLL-HOTGVXAUSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505637441 1186116907 /nfs/dbraw/zinc/11/69/07/1186116907.db2.gz KACXYRUZMAAAJK-HZPDHXFCSA-N 2 1 323.525 3.088 20 0 DGADMP CCCN1Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2C1 ZINC001611312108 1193430109 /nfs/dbraw/zinc/43/01/09/1193430109.db2.gz WFAZQKLJEFOPKO-GJZGRUSLSA-N 2 1 315.461 3.081 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)c2C1 ZINC001611312108 1193430111 /nfs/dbraw/zinc/43/01/11/1193430111.db2.gz WFAZQKLJEFOPKO-GJZGRUSLSA-N 2 1 315.461 3.081 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)c2C1 ZINC001611312108 1193430113 /nfs/dbraw/zinc/43/01/13/1193430113.db2.gz WFAZQKLJEFOPKO-GJZGRUSLSA-N 2 1 315.461 3.081 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2C1 ZINC001611312108 1193430115 /nfs/dbraw/zinc/43/01/15/1193430115.db2.gz WFAZQKLJEFOPKO-GJZGRUSLSA-N 2 1 315.461 3.081 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2C1 ZINC001611312108 1193430116 /nfs/dbraw/zinc/43/01/16/1193430116.db2.gz WFAZQKLJEFOPKO-GJZGRUSLSA-N 2 1 315.461 3.081 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](C[C@]4(C)CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001656574358 1196051067 /nfs/dbraw/zinc/05/10/67/1196051067.db2.gz RPDSTXNCLWCQKX-SOUVJXGZSA-N 2 1 317.304 3.378 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](C[C@]4(C)CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001656574358 1196051070 /nfs/dbraw/zinc/05/10/70/1196051070.db2.gz RPDSTXNCLWCQKX-SOUVJXGZSA-N 2 1 317.304 3.378 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001615634940 1193524855 /nfs/dbraw/zinc/52/48/55/1193524855.db2.gz LFDLWGLJQJNYKF-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(Cl)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001615634940 1193524856 /nfs/dbraw/zinc/52/48/56/1193524856.db2.gz LFDLWGLJQJNYKF-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(Cl)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001615634940 1193524857 /nfs/dbraw/zinc/52/48/57/1193524857.db2.gz LFDLWGLJQJNYKF-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC(C)(C)CO1 ZINC001615664854 1193525770 /nfs/dbraw/zinc/52/57/70/1193525770.db2.gz HANYTBGVXOKTSV-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CC(C)(C)CO1 ZINC001615664854 1193525773 /nfs/dbraw/zinc/52/57/73/1193525773.db2.gz HANYTBGVXOKTSV-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC(C)(C)CO1 ZINC001615664854 1193525774 /nfs/dbraw/zinc/52/57/74/1193525774.db2.gz HANYTBGVXOKTSV-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001615811282 1193527941 /nfs/dbraw/zinc/52/79/41/1193527941.db2.gz AXDGDJCPKDUMRW-CQSZACIVSA-N 2 1 310.404 3.152 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC001615988257 1193530972 /nfs/dbraw/zinc/53/09/72/1193530972.db2.gz AHCKNKLJVRGVPG-YZGWKJHDSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988257 1193530973 /nfs/dbraw/zinc/53/09/73/1193530973.db2.gz AHCKNKLJVRGVPG-YZGWKJHDSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988257 1193530975 /nfs/dbraw/zinc/53/09/75/1193530975.db2.gz AHCKNKLJVRGVPG-YZGWKJHDSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001615988257 1193530978 /nfs/dbraw/zinc/53/09/78/1193530978.db2.gz AHCKNKLJVRGVPG-YZGWKJHDSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001615988257 1193530979 /nfs/dbraw/zinc/53/09/79/1193530979.db2.gz AHCKNKLJVRGVPG-YZGWKJHDSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346100 1193535968 /nfs/dbraw/zinc/53/59/68/1193535968.db2.gz HAFORSDKYMXKCH-RBUKOAKNSA-N 2 1 308.510 3.266 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346100 1193535971 /nfs/dbraw/zinc/53/59/71/1193535971.db2.gz HAFORSDKYMXKCH-RBUKOAKNSA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346100 1193535972 /nfs/dbraw/zinc/53/59/72/1193535972.db2.gz HAFORSDKYMXKCH-RBUKOAKNSA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346100 1193535975 /nfs/dbraw/zinc/53/59/75/1193535975.db2.gz HAFORSDKYMXKCH-RBUKOAKNSA-N 2 1 308.510 3.266 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346098 1193536134 /nfs/dbraw/zinc/53/61/34/1193536134.db2.gz HAFORSDKYMXKCH-MOPGFXCFSA-N 2 1 308.510 3.266 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346098 1193536135 /nfs/dbraw/zinc/53/61/35/1193536135.db2.gz HAFORSDKYMXKCH-MOPGFXCFSA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346098 1193536136 /nfs/dbraw/zinc/53/61/36/1193536136.db2.gz HAFORSDKYMXKCH-MOPGFXCFSA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346098 1193536137 /nfs/dbraw/zinc/53/61/37/1193536137.db2.gz HAFORSDKYMXKCH-MOPGFXCFSA-N 2 1 308.510 3.266 20 0 DGADMP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)c(C[NH+](C)C)c1 ZINC001543742681 1188361334 /nfs/dbraw/zinc/36/13/34/1188361334.db2.gz GSUDUDDFDYBVCI-INIZCTEOSA-N 2 1 317.477 3.116 20 0 DGADMP c1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC001549182558 1188500086 /nfs/dbraw/zinc/50/00/86/1188500086.db2.gz XNCIBIDVMLQONZ-WSTZPKSXSA-N 2 1 322.452 3.288 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001549582810 1188528059 /nfs/dbraw/zinc/52/80/59/1188528059.db2.gz BUPIXGIQHPRQCL-GFCCVEGCSA-N 2 1 324.350 3.214 20 0 DGADMP Cn1cncc1[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 ZINC001549582810 1188528062 /nfs/dbraw/zinc/52/80/62/1188528062.db2.gz BUPIXGIQHPRQCL-GFCCVEGCSA-N 2 1 324.350 3.214 20 0 DGADMP O[C@@H]1CC[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]12 ZINC001549607425 1188529407 /nfs/dbraw/zinc/52/94/07/1188529407.db2.gz BXMGQNAZZMQHJY-AQNXPRMDSA-N 2 1 314.473 3.018 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001550241544 1188597138 /nfs/dbraw/zinc/59/71/38/1188597138.db2.gz GWTSHHLGLUNHOX-HAGHYFMRSA-N 2 1 316.489 3.269 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3ccc(C)o3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550350809 1188608882 /nfs/dbraw/zinc/60/88/82/1188608882.db2.gz AFVPJVMAQCKXKN-MGGVOPSTSA-N 2 1 320.477 3.108 20 0 DGADMP [NH3+][C@H]1CC[C@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC001550350220 1188609404 /nfs/dbraw/zinc/60/94/04/1188609404.db2.gz LEBYSHLARRNTMJ-ZFWWWQNUSA-N 2 1 313.470 3.296 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@@H]1CCC[C@H](C3CC3)C1)[C@@H](O)C2 ZINC001550349761 1188609491 /nfs/dbraw/zinc/60/94/91/1188609491.db2.gz CACZOKCAJVKIIG-XGXHKTLJSA-N 2 1 320.521 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3ccsc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550355808 1188609821 /nfs/dbraw/zinc/60/98/21/1188609821.db2.gz SAXHAMWDTRJMTJ-ITWBUVANSA-N 2 1 322.518 3.269 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3CCCCCC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550356873 1188610105 /nfs/dbraw/zinc/61/01/05/1188610105.db2.gz YUTMSRDCYSBBMA-XWSJACJDSA-N 2 1 308.510 3.169 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3ccsc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422898 1188614936 /nfs/dbraw/zinc/61/49/36/1188614936.db2.gz FAVGIOOSEQOHNH-OWSLCNJRSA-N 2 1 322.518 3.016 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c2ccccc2O1 ZINC001550473891 1188617221 /nfs/dbraw/zinc/61/72/21/1188617221.db2.gz SWCWPAFHSJOSRC-FHFUIKRASA-N 2 1 300.446 3.265 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC001550543200 1188621911 /nfs/dbraw/zinc/62/19/11/1188621911.db2.gz JHUIUTFPQWIVIL-GQKFXUNGSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC001550543200 1188621915 /nfs/dbraw/zinc/62/19/15/1188621915.db2.gz JHUIUTFPQWIVIL-GQKFXUNGSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC001550543200 1188621917 /nfs/dbraw/zinc/62/19/17/1188621917.db2.gz JHUIUTFPQWIVIL-GQKFXUNGSA-N 2 1 304.400 3.239 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)C[C@@H]2C1 ZINC001550542922 1188622010 /nfs/dbraw/zinc/62/20/10/1188622010.db2.gz AWLBFFSTQUGIPF-GJZGRUSLSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@@H]2C1 ZINC001550542922 1188622011 /nfs/dbraw/zinc/62/20/11/1188622011.db2.gz AWLBFFSTQUGIPF-GJZGRUSLSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@@H]2C1 ZINC001550542922 1188622012 /nfs/dbraw/zinc/62/20/12/1188622012.db2.gz AWLBFFSTQUGIPF-GJZGRUSLSA-N 2 1 315.848 3.272 20 0 DGADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)sc1C(C)(C)C ZINC001550543762 1188622112 /nfs/dbraw/zinc/62/21/12/1188622112.db2.gz WVGUYPYAOOSAPI-UONOGXRCSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)sc1C(C)(C)C ZINC001550543762 1188622113 /nfs/dbraw/zinc/62/21/13/1188622113.db2.gz WVGUYPYAOOSAPI-UONOGXRCSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)sc1C(C)(C)C ZINC001550543762 1188622117 /nfs/dbraw/zinc/62/21/17/1188622117.db2.gz WVGUYPYAOOSAPI-UONOGXRCSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)sc1C(C)(C)C ZINC001550543762 1188622119 /nfs/dbraw/zinc/62/21/19/1188622119.db2.gz WVGUYPYAOOSAPI-UONOGXRCSA-N 2 1 307.507 3.133 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)o3)C[C@@H]2C1 ZINC001551259537 1188722425 /nfs/dbraw/zinc/72/24/25/1188722425.db2.gz GJWDRWLXVJTZFA-FRRDWIJNSA-N 2 1 316.367 3.461 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001551263581 1188723252 /nfs/dbraw/zinc/72/32/52/1188723252.db2.gz XLBQKLFWSUPCOW-OFQRWUPVSA-N 2 1 307.869 3.206 20 0 DGADMP O[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC2CCC1CC2 ZINC001551377040 1188732259 /nfs/dbraw/zinc/73/22/59/1188732259.db2.gz BDJVTXNMHVJUPY-ABZWLXOVSA-N 2 1 314.473 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H](c2ccccc2)O1 ZINC001551393523 1188736072 /nfs/dbraw/zinc/73/60/72/1188736072.db2.gz FUXPDAHZVDZHMP-QRQLOZEOSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@@H](c2ccccc2)O1 ZINC001551393523 1188736075 /nfs/dbraw/zinc/73/60/75/1188736075.db2.gz FUXPDAHZVDZHMP-QRQLOZEOSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@@H](c2ccccc2)O1 ZINC001551393523 1188736078 /nfs/dbraw/zinc/73/60/78/1188736078.db2.gz FUXPDAHZVDZHMP-QRQLOZEOSA-N 2 1 302.462 3.323 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)[C@H](C)CC)CC1 ZINC001657010781 1196092863 /nfs/dbraw/zinc/09/28/63/1196092863.db2.gz BZOZCQPUJSXCBR-NVXWUHKLSA-N 2 1 312.498 3.018 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCC2 ZINC001552080779 1188816758 /nfs/dbraw/zinc/81/67/58/1188816758.db2.gz VGMCJBNYYYWZBI-RXABAKJHSA-N 2 1 314.473 3.273 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCC2 ZINC001552080778 1188817251 /nfs/dbraw/zinc/81/72/51/1188817251.db2.gz VGMCJBNYYYWZBI-LZBKUMLDSA-N 2 1 314.473 3.273 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[C@H]1O ZINC001552286540 1188830523 /nfs/dbraw/zinc/83/05/23/1188830523.db2.gz UKFJAATWKXVDCB-RBUKOAKNSA-N 2 1 302.462 3.018 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001553021908 1188890507 /nfs/dbraw/zinc/89/05/07/1188890507.db2.gz AFHUEJZQMNAOSH-GUDVDZBRSA-N 2 1 315.505 3.005 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001553021908 1188890510 /nfs/dbraw/zinc/89/05/10/1188890510.db2.gz AFHUEJZQMNAOSH-GUDVDZBRSA-N 3 1 315.505 3.005 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001553021908 1188890513 /nfs/dbraw/zinc/89/05/13/1188890513.db2.gz AFHUEJZQMNAOSH-GUDVDZBRSA-N 3 1 315.505 3.005 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@@H+]1C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001553305976 1188915299 /nfs/dbraw/zinc/91/52/99/1188915299.db2.gz YRWIGYXHZTUREB-YSHGAJCASA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@H+]1C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001553305976 1188915304 /nfs/dbraw/zinc/91/53/04/1188915304.db2.gz YRWIGYXHZTUREB-YSHGAJCASA-N 2 1 300.446 3.110 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCCC[NH+]3CCC(C)CC3)c12 ZINC001559070689 1189167575 /nfs/dbraw/zinc/16/75/75/1189167575.db2.gz OYKVRKONOIWWST-UHFFFAOYSA-N 2 1 315.465 3.396 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c12 ZINC001559070468 1189168063 /nfs/dbraw/zinc/16/80/63/1189168063.db2.gz HIWYZXWTOINOGV-KBPBESRZSA-N 2 1 315.465 3.252 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567996 1189218033 /nfs/dbraw/zinc/21/80/33/1189218033.db2.gz OMNIAZRFGGTZSQ-KKUMJFAQSA-N 2 1 322.415 3.293 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567996 1189218036 /nfs/dbraw/zinc/21/80/36/1189218036.db2.gz OMNIAZRFGGTZSQ-KKUMJFAQSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567996 1189218038 /nfs/dbraw/zinc/21/80/38/1189218038.db2.gz OMNIAZRFGGTZSQ-KKUMJFAQSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567996 1189218040 /nfs/dbraw/zinc/21/80/40/1189218040.db2.gz OMNIAZRFGGTZSQ-KKUMJFAQSA-N 2 1 322.415 3.293 20 0 DGADMP COc1ccc(C[C@@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001559592686 1189221987 /nfs/dbraw/zinc/22/19/87/1189221987.db2.gz OXUREJJJDYGHKN-SFHVURJKSA-N 2 1 302.462 3.188 20 0 DGADMP COc1ccc(C[C@@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001559592686 1189221991 /nfs/dbraw/zinc/22/19/91/1189221991.db2.gz OXUREJJJDYGHKN-SFHVURJKSA-N 2 1 302.462 3.188 20 0 DGADMP CC(C)[C@@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689300 1189231326 /nfs/dbraw/zinc/23/13/26/1189231326.db2.gz MBWUZJQHDQADHN-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689300 1189231330 /nfs/dbraw/zinc/23/13/30/1189231330.db2.gz MBWUZJQHDQADHN-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001559689300 1189231334 /nfs/dbraw/zinc/23/13/34/1189231334.db2.gz MBWUZJQHDQADHN-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001559689300 1189231337 /nfs/dbraw/zinc/23/13/37/1189231337.db2.gz MBWUZJQHDQADHN-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP OC[C@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001559954261 1189260855 /nfs/dbraw/zinc/26/08/55/1189260855.db2.gz PQKGDMWURNFTSH-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP COC/C(C)=C/C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560154437 1189284636 /nfs/dbraw/zinc/28/46/36/1189284636.db2.gz JVWBFIUOJGRGGQ-JYEZJWANSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560154437 1189284639 /nfs/dbraw/zinc/28/46/39/1189284639.db2.gz JVWBFIUOJGRGGQ-JYEZJWANSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560154437 1189284642 /nfs/dbraw/zinc/28/46/42/1189284642.db2.gz JVWBFIUOJGRGGQ-JYEZJWANSA-N 2 1 314.473 3.033 20 0 DGADMP Clc1ccc2cccnc2c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001560263072 1189302445 /nfs/dbraw/zinc/30/24/45/1189302445.db2.gz XYLQPMSADIFGGK-CYBMUJFWSA-N 2 1 315.848 3.462 20 0 DGADMP Clc1ccc2cccnc2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC001560263072 1189302449 /nfs/dbraw/zinc/30/24/49/1189302449.db2.gz XYLQPMSADIFGGK-CYBMUJFWSA-N 2 1 315.848 3.462 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001560291355 1189306170 /nfs/dbraw/zinc/30/61/70/1189306170.db2.gz NEUCQFGJNUAIHT-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001560291355 1189306174 /nfs/dbraw/zinc/30/61/74/1189306174.db2.gz NEUCQFGJNUAIHT-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001560291355 1189306179 /nfs/dbraw/zinc/30/61/79/1189306179.db2.gz NEUCQFGJNUAIHT-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC001560291355 1189306185 /nfs/dbraw/zinc/30/61/85/1189306185.db2.gz NEUCQFGJNUAIHT-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC001560291355 1189306188 /nfs/dbraw/zinc/30/61/88/1189306188.db2.gz NEUCQFGJNUAIHT-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@H+](CC[NH2+]C[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC001560295779 1189307418 /nfs/dbraw/zinc/30/74/18/1189307418.db2.gz NWLGTGMDDZGFCD-MRXNPFEDSA-N 2 1 302.462 3.407 20 0 DGADMP C[N@@H+](CC[NH2+]C[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC001560295779 1189307422 /nfs/dbraw/zinc/30/74/22/1189307422.db2.gz NWLGTGMDDZGFCD-MRXNPFEDSA-N 2 1 302.462 3.407 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001560320469 1189311062 /nfs/dbraw/zinc/31/10/62/1189311062.db2.gz BNFOSLVOPZYUIC-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001560320469 1189311065 /nfs/dbraw/zinc/31/10/65/1189311065.db2.gz BNFOSLVOPZYUIC-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP C[C@H](CCNCC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001560546629 1189339088 /nfs/dbraw/zinc/33/90/88/1189339088.db2.gz CCWDPIVZTSHYDX-QGZVFWFLSA-N 2 1 305.510 3.074 20 0 DGADMP C[C@H](CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC001560546629 1189339090 /nfs/dbraw/zinc/33/90/90/1189339090.db2.gz CCWDPIVZTSHYDX-QGZVFWFLSA-N 3 1 305.510 3.074 20 0 DGADMP C[C@H](CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001560546629 1189339092 /nfs/dbraw/zinc/33/90/92/1189339092.db2.gz CCWDPIVZTSHYDX-QGZVFWFLSA-N 3 1 305.510 3.074 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC001560556984 1189340352 /nfs/dbraw/zinc/34/03/52/1189340352.db2.gz ADESPNCGAZIKCX-NUJGCVRESA-N 2 1 304.478 3.300 20 0 DGADMP C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749816 1189374335 /nfs/dbraw/zinc/37/43/35/1189374335.db2.gz YDGJQZSMNOPWAS-FUHWJXTLSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749816 1189374346 /nfs/dbraw/zinc/37/43/46/1189374346.db2.gz YDGJQZSMNOPWAS-FUHWJXTLSA-N 3 1 319.537 3.103 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749816 1189374353 /nfs/dbraw/zinc/37/43/53/1189374353.db2.gz YDGJQZSMNOPWAS-FUHWJXTLSA-N 3 1 319.537 3.103 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC2CCC1CC2 ZINC001560755807 1189376261 /nfs/dbraw/zinc/37/62/61/1189376261.db2.gz SZWSZNRPWHHIJL-XBBDAYDNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC2CCC1CC2 ZINC001560755807 1189376268 /nfs/dbraw/zinc/37/62/68/1189376268.db2.gz SZWSZNRPWHHIJL-XBBDAYDNSA-N 2 1 308.510 3.292 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C(=O)OC)c(C)c1 ZINC001560811327 1189385316 /nfs/dbraw/zinc/38/53/16/1189385316.db2.gz GQFCZJGQGIZHML-UHFFFAOYSA-N 2 1 320.477 3.335 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C(=O)OC)c(C)c1 ZINC001560811327 1189385323 /nfs/dbraw/zinc/38/53/23/1189385323.db2.gz GQFCZJGQGIZHML-UHFFFAOYSA-N 2 1 320.477 3.335 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001560870094 1189397773 /nfs/dbraw/zinc/39/77/73/1189397773.db2.gz YOMPRQKAMOYFBB-ROUUACIJSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001560870094 1189397780 /nfs/dbraw/zinc/39/77/80/1189397780.db2.gz YOMPRQKAMOYFBB-ROUUACIJSA-N 2 1 303.494 3.223 20 0 DGADMP CCO[C@@H](C[NH2+][C@@H](C)CCc1ccc(Cl)s1)C[NH+](C)C ZINC001561002855 1189418300 /nfs/dbraw/zinc/41/83/00/1189418300.db2.gz ZLIIMLCNKPFMSF-STQMWFEESA-N 2 1 318.914 3.279 20 0 DGADMP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)nc1C ZINC001570536837 1190878747 /nfs/dbraw/zinc/87/87/47/1190878747.db2.gz UAJNUKYVUYDKQQ-KRWDZBQOSA-N 2 1 317.477 3.343 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001574799138 1191452882 /nfs/dbraw/zinc/45/28/82/1191452882.db2.gz CYVJQDDMYHLYPK-CUDHKJQZSA-N 3 1 319.537 3.294 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001574799138 1191452883 /nfs/dbraw/zinc/45/28/83/1191452883.db2.gz CYVJQDDMYHLYPK-CUDHKJQZSA-N 3 1 319.537 3.294 20 0 DGADMP C([C@@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001574801737 1191452940 /nfs/dbraw/zinc/45/29/40/1191452940.db2.gz VOGJNUILIXNJKC-ROUUACIJSA-N 2 1 306.494 3.049 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC001620769773 1191465123 /nfs/dbraw/zinc/46/51/23/1191465123.db2.gz NLHFKXIORAAMBO-FQEVSTJZSA-N 2 1 321.424 3.124 20 0 DGADMP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Br)cc1 ZINC001575334403 1191476387 /nfs/dbraw/zinc/47/63/87/1191476387.db2.gz KLZWDVPZGUFYKF-QLFBSQMISA-N 2 1 323.278 3.209 20 0 DGADMP CC(C)([NH3+])c1cc(C[NH+]2CCC(OC3CCCCC3)CC2)on1 ZINC001575365055 1191477299 /nfs/dbraw/zinc/47/72/99/1191477299.db2.gz CFJWJEGWBZFVFI-UHFFFAOYSA-N 2 1 321.465 3.182 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001575566594 1191492559 /nfs/dbraw/zinc/49/25/59/1191492559.db2.gz ZEXJWNCKDWXDMN-NEWSRXKRSA-N 2 1 310.526 3.403 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC001575593616 1191494510 /nfs/dbraw/zinc/49/45/10/1191494510.db2.gz OAKKUFUCGDHDDQ-MOPGFXCFSA-N 2 1 322.468 3.207 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC001575656384 1191500861 /nfs/dbraw/zinc/50/08/61/1191500861.db2.gz XVKCZTALSBEOMN-PKOBYXMFSA-N 2 1 301.478 3.244 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001575740961 1191505347 /nfs/dbraw/zinc/50/53/47/1191505347.db2.gz KLCIEIUGNMDJCM-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC001575975479 1191521188 /nfs/dbraw/zinc/52/11/88/1191521188.db2.gz NNTRLESBCLHSDF-SDDRHHMPSA-N 2 1 317.260 3.430 20 0 DGADMP C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC001576314921 1191559438 /nfs/dbraw/zinc/55/94/38/1191559438.db2.gz HXQYOPFFMDFDMY-RYUDHWBXSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC001576314921 1191559441 /nfs/dbraw/zinc/55/94/41/1191559441.db2.gz HXQYOPFFMDFDMY-RYUDHWBXSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC001576314921 1191559446 /nfs/dbraw/zinc/55/94/46/1191559446.db2.gz HXQYOPFFMDFDMY-RYUDHWBXSA-N 2 1 306.841 3.209 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cc(F)cc3cccnc32)[C@H]2CCC[NH2+][C@H]21 ZINC001576388763 1191580445 /nfs/dbraw/zinc/58/04/45/1191580445.db2.gz BPVIZEBGTBMRGH-CGTJXYLNSA-N 2 1 313.420 3.240 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC001618916492 1193754504 /nfs/dbraw/zinc/75/45/04/1193754504.db2.gz RIVBAEWWYXVOMM-INIZCTEOSA-N 2 1 324.509 3.495 20 0 DGADMP C[NH+]1C[C@@]2(C)C[NH+](CCCOc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001620471735 1193771017 /nfs/dbraw/zinc/77/10/17/1193771017.db2.gz YCGLYUZNJPWCAD-ROUUACIJSA-N 2 1 322.880 3.383 20 0 DGADMP COCC[N@H+](Cc1ccc(Cl)cc1C)CC1CC[NH+](C)CC1 ZINC001620482888 1193772239 /nfs/dbraw/zinc/77/22/39/1193772239.db2.gz WNAYEFWLYMVKAQ-UHFFFAOYSA-N 2 1 324.896 3.439 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC1CC(F)(F)C1)C2 ZINC001620562854 1193779166 /nfs/dbraw/zinc/77/91/66/1193779166.db2.gz YFVASSWVWIBOAL-MSOLQXFVSA-N 2 1 320.427 3.486 20 0 DGADMP C[C@]12C[NH+](CC3CC(F)(F)C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001620562854 1193779167 /nfs/dbraw/zinc/77/91/67/1193779167.db2.gz YFVASSWVWIBOAL-MSOLQXFVSA-N 2 1 320.427 3.486 20 0 DGADMP C[C@]12C[NH+](CC3CC(F)(F)C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001620562854 1193779168 /nfs/dbraw/zinc/77/91/68/1193779168.db2.gz YFVASSWVWIBOAL-MSOLQXFVSA-N 2 1 320.427 3.486 20 0 DGADMP COc1cc(C)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001620729315 1193795607 /nfs/dbraw/zinc/79/56/07/1193795607.db2.gz GJAQSDXTNOWWTB-UHFFFAOYSA-N 2 1 320.477 3.365 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001621245904 1193822251 /nfs/dbraw/zinc/82/22/51/1193822251.db2.gz ZZEPMDAIDPWMDY-HSALFYBXSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC001621387451 1193836494 /nfs/dbraw/zinc/83/64/94/1193836494.db2.gz GTNIUTXVHMVTBV-MJGOQNOKSA-N 2 1 321.553 3.494 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC001621406671 1193838477 /nfs/dbraw/zinc/83/84/77/1193838477.db2.gz AIAWNNRAPDCKBU-UGXKVIGPSA-N 2 1 316.489 3.268 20 0 DGADMP C[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493056 1193849289 /nfs/dbraw/zinc/84/92/89/1193849289.db2.gz HALVJUNKVGHMPF-WWNBULGVSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493056 1193849292 /nfs/dbraw/zinc/84/92/92/1193849292.db2.gz HALVJUNKVGHMPF-WWNBULGVSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493056 1193849298 /nfs/dbraw/zinc/84/92/98/1193849298.db2.gz HALVJUNKVGHMPF-WWNBULGVSA-N 2 1 316.489 3.384 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@@H]2C1 ZINC001621564183 1193859680 /nfs/dbraw/zinc/85/96/80/1193859680.db2.gz XAKDVGUXNZASPX-ZIFCJYIRSA-N 2 1 324.472 3.034 20 0 DGADMP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000037538741 1193934948 /nfs/dbraw/zinc/93/49/48/1193934948.db2.gz OOMLIKREBJIDNS-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CCCCC1 ZINC001628574733 1194185518 /nfs/dbraw/zinc/18/55/18/1194185518.db2.gz QBQVCSHZNFOLSO-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(NCc2ccc(Nc3cc[nH+]cc3)cc2)nc(C)[nH+]1 ZINC001640216904 1194802679 /nfs/dbraw/zinc/80/26/79/1194802679.db2.gz LWGFPIHVKFYNKR-UHFFFAOYSA-N 2 1 305.385 3.266 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH+](CC)CC ZINC001642002896 1194883373 /nfs/dbraw/zinc/88/33/73/1194883373.db2.gz FFIYHCNSLWMBRM-GOSISDBHSA-N 2 1 303.494 3.449 20 0 DGADMP CC1(C)CCCC[C@H]1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC001644038387 1195075474 /nfs/dbraw/zinc/07/54/74/1195075474.db2.gz BJLHGBOJTUWEAQ-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP CC1(C)CCCC[C@H]1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC001644038387 1195075480 /nfs/dbraw/zinc/07/54/80/1195075480.db2.gz BJLHGBOJTUWEAQ-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001644332683 1195101925 /nfs/dbraw/zinc/10/19/25/1195101925.db2.gz NQGMZNVHUFVXBN-GJZGRUSLSA-N 2 1 309.404 3.418 20 0 DGADMP FCCCCCN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001644662202 1195123881 /nfs/dbraw/zinc/12/38/81/1195123881.db2.gz PWANWYHIEPQULE-UHFFFAOYSA-N 2 1 322.468 3.351 20 0 DGADMP FCCCCCN1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001644662202 1195123884 /nfs/dbraw/zinc/12/38/84/1195123884.db2.gz PWANWYHIEPQULE-UHFFFAOYSA-N 2 1 322.468 3.351 20 0 DGADMP CCOC(=O)/C=C/C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001644781275 1195134159 /nfs/dbraw/zinc/13/41/59/1195134159.db2.gz UVSMTEVAWMGXRQ-DBWMJRBXSA-N 2 1 322.493 3.082 20 0 DGADMP CCOC(=O)[C@H](CC)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001644781099 1195134525 /nfs/dbraw/zinc/13/45/25/1195134525.db2.gz PZBZJRZDNJMOAM-AEFFLSMTSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@H](CC)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001644781099 1195134527 /nfs/dbraw/zinc/13/45/27/1195134527.db2.gz PZBZJRZDNJMOAM-AEFFLSMTSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001644970922 1195146703 /nfs/dbraw/zinc/14/67/03/1195146703.db2.gz NWZUXFWECUTEDB-WBVHZDCISA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001644970922 1195146705 /nfs/dbraw/zinc/14/67/05/1195146705.db2.gz NWZUXFWECUTEDB-WBVHZDCISA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001644970922 1195146710 /nfs/dbraw/zinc/14/67/10/1195146710.db2.gz NWZUXFWECUTEDB-WBVHZDCISA-N 2 1 319.518 3.333 20 0 DGADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001644988873 1195148126 /nfs/dbraw/zinc/14/81/26/1195148126.db2.gz FRFSULPSLNSHHB-KRWDZBQOSA-N 2 1 324.509 3.306 20 0 DGADMP CCOCC[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001645023866 1195151470 /nfs/dbraw/zinc/15/14/70/1195151470.db2.gz KTCQTLLLDDVNTC-UHFFFAOYSA-N 2 1 318.505 3.300 20 0 DGADMP CCOCC[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001645023866 1195151471 /nfs/dbraw/zinc/15/14/71/1195151471.db2.gz KTCQTLLLDDVNTC-UHFFFAOYSA-N 2 1 318.505 3.300 20 0 DGADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC001647847568 1195258521 /nfs/dbraw/zinc/25/85/21/1195258521.db2.gz FCXRQWKFPHZFLJ-BXWFABGCSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC001647847568 1195258524 /nfs/dbraw/zinc/25/85/24/1195258524.db2.gz FCXRQWKFPHZFLJ-BXWFABGCSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC001647847568 1195258528 /nfs/dbraw/zinc/25/85/28/1195258528.db2.gz FCXRQWKFPHZFLJ-BXWFABGCSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC001647847571 1195258552 /nfs/dbraw/zinc/25/85/52/1195258552.db2.gz FCXRQWKFPHZFLJ-TXPKVOOTSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC001647847571 1195258555 /nfs/dbraw/zinc/25/85/55/1195258555.db2.gz FCXRQWKFPHZFLJ-TXPKVOOTSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC001647847571 1195258565 /nfs/dbraw/zinc/25/85/65/1195258565.db2.gz FCXRQWKFPHZFLJ-TXPKVOOTSA-N 2 1 319.493 3.421 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCCN2CC[C@H]2CCC[N@H+]2C)CC1 ZINC001648026538 1195271815 /nfs/dbraw/zinc/27/18/15/1195271815.db2.gz DRFNFOKTRXSLKM-RTBURBONSA-N 2 1 307.526 3.057 20 0 DGADMP CC[C@H](C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035526 1195272635 /nfs/dbraw/zinc/27/26/35/1195272635.db2.gz LJZTXUJKTTZTKA-AQNXPRMDSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035526 1195272638 /nfs/dbraw/zinc/27/26/38/1195272638.db2.gz LJZTXUJKTTZTKA-AQNXPRMDSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035526 1195272641 /nfs/dbraw/zinc/27/26/41/1195272641.db2.gz LJZTXUJKTTZTKA-AQNXPRMDSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@H](C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035526 1195272643 /nfs/dbraw/zinc/27/26/43/1195272643.db2.gz LJZTXUJKTTZTKA-AQNXPRMDSA-N 2 1 316.489 3.255 20 0 DGADMP CCO[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001648509313 1195305259 /nfs/dbraw/zinc/30/52/59/1195305259.db2.gz GEYOHOXWQNRNTA-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC001651178535 1195423599 /nfs/dbraw/zinc/42/35/99/1195423599.db2.gz FNQUGHFJECDYJE-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H](C)C[NH+]3CCCCC3)c12 ZINC001651406493 1195455727 /nfs/dbraw/zinc/45/57/27/1195455727.db2.gz KQYMLBVCNMHHEL-CYBMUJFWSA-N 2 1 301.438 3.006 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663741 1195493378 /nfs/dbraw/zinc/49/33/78/1195493378.db2.gz KKNTXTJFYGCLAT-IEBWSBKVSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663741 1195493381 /nfs/dbraw/zinc/49/33/81/1195493381.db2.gz KKNTXTJFYGCLAT-IEBWSBKVSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001651663741 1195493385 /nfs/dbraw/zinc/49/33/85/1195493385.db2.gz KKNTXTJFYGCLAT-IEBWSBKVSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+]2CCC(C)(C)C2)C1 ZINC001651663741 1195493388 /nfs/dbraw/zinc/49/33/88/1195493388.db2.gz KKNTXTJFYGCLAT-IEBWSBKVSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706011 1195500458 /nfs/dbraw/zinc/50/04/58/1195500458.db2.gz HACHEPQDARHUGM-HIFRSBDPSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706011 1195500462 /nfs/dbraw/zinc/50/04/62/1195500462.db2.gz HACHEPQDARHUGM-HIFRSBDPSA-N 2 1 307.457 3.415 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001651716483 1195501576 /nfs/dbraw/zinc/50/15/76/1195501576.db2.gz BFYCOPBISJFDJD-UHFFFAOYSA-N 2 1 314.376 3.302 20 0 DGADMP CO[C@@H](C)C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001652391394 1195590535 /nfs/dbraw/zinc/59/05/35/1195590535.db2.gz GYSMGYDNCINZFC-AWEZNQCLSA-N 2 1 307.825 3.074 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001652519335 1195609901 /nfs/dbraw/zinc/60/99/01/1195609901.db2.gz MSIBEOKCBZOKNH-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001652519335 1195609907 /nfs/dbraw/zinc/60/99/07/1195609907.db2.gz MSIBEOKCBZOKNH-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001652519335 1195609915 /nfs/dbraw/zinc/60/99/15/1195609915.db2.gz MSIBEOKCBZOKNH-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882913 1195666305 /nfs/dbraw/zinc/66/63/05/1195666305.db2.gz ZICBTFXEJSUQHX-PBHICJAKSA-N 2 1 316.449 3.222 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882913 1195666307 /nfs/dbraw/zinc/66/63/07/1195666307.db2.gz ZICBTFXEJSUQHX-PBHICJAKSA-N 2 1 316.449 3.222 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCC12CCOCC2 ZINC001653465309 1195725977 /nfs/dbraw/zinc/72/59/77/1195725977.db2.gz COJQYYVIFGSBQA-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1sc2ccccc2c1C ZINC001654069855 1195772071 /nfs/dbraw/zinc/77/20/71/1195772071.db2.gz FIUDRJIQBFRMDF-KGLIPLIRSA-N 2 1 306.475 3.173 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1sc2ccccc2c1C ZINC001654069855 1195772073 /nfs/dbraw/zinc/77/20/73/1195772073.db2.gz FIUDRJIQBFRMDF-KGLIPLIRSA-N 2 1 306.475 3.173 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1SC ZINC000069159395 1195776340 /nfs/dbraw/zinc/77/63/40/1195776340.db2.gz BWZAQDDTLBFBAN-UHFFFAOYSA-N 2 1 308.491 3.380 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1([C@H]3CCCCO3)CCC1)C2 ZINC001654511658 1195811846 /nfs/dbraw/zinc/81/18/46/1195811846.db2.gz WORUWWLQPWSKIM-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1([C@H]3CCCCO3)CCC1)C2 ZINC001654511658 1195811848 /nfs/dbraw/zinc/81/18/48/1195811848.db2.gz WORUWWLQPWSKIM-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1([C@H]3CCCCO3)CCC1)C2 ZINC001654511658 1195811852 /nfs/dbraw/zinc/81/18/52/1195811852.db2.gz WORUWWLQPWSKIM-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000069751978 1195817162 /nfs/dbraw/zinc/81/71/62/1195817162.db2.gz VTJJFCCBIRSDLK-INIZCTEOSA-N 2 1 312.461 3.002 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@@H+]3CCCC[C@@H]3C)c12 ZINC001654908064 1195853103 /nfs/dbraw/zinc/85/31/03/1195853103.db2.gz OOERTJOEUPRCFI-ZDUSSCGKSA-N 2 1 301.438 3.148 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@H+]3CCCC[C@@H]3C)c12 ZINC001654908064 1195853107 /nfs/dbraw/zinc/85/31/07/1195853107.db2.gz OOERTJOEUPRCFI-ZDUSSCGKSA-N 2 1 301.438 3.148 20 0 DGADMP COCC[N@H+](Cc1c(C)cc(C)cc1C)CC1CC[NH+](C)CC1 ZINC001655274685 1195898555 /nfs/dbraw/zinc/89/85/55/1195898555.db2.gz DSBNYBOCDOZDCX-UHFFFAOYSA-N 2 1 318.505 3.402 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001655282928 1195899258 /nfs/dbraw/zinc/89/92/58/1195899258.db2.gz SZBBNMOOLDMTKW-ROUUACIJSA-N 2 1 316.489 3.435 20 0 DGADMP CCn1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001655291209 1195900371 /nfs/dbraw/zinc/90/03/71/1195900371.db2.gz LVOKPPXQPWRCGR-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCn1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001655291209 1195900375 /nfs/dbraw/zinc/90/03/75/1195900375.db2.gz LVOKPPXQPWRCGR-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nc3ccccn32)c1 ZINC001655563752 1195933075 /nfs/dbraw/zinc/93/30/75/1195933075.db2.gz XBKZFNGUWPLRBT-UHFFFAOYSA-N 2 1 322.456 3.384 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001655727141 1195957242 /nfs/dbraw/zinc/95/72/42/1195957242.db2.gz RTZITWGTFHDLDE-RBUKOAKNSA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001655727141 1195957243 /nfs/dbraw/zinc/95/72/43/1195957243.db2.gz RTZITWGTFHDLDE-RBUKOAKNSA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001655727141 1195957245 /nfs/dbraw/zinc/95/72/45/1195957245.db2.gz RTZITWGTFHDLDE-RBUKOAKNSA-N 2 1 318.505 3.203 20 0 DGADMP Cc1noc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)n1 ZINC001656055576 1195993330 /nfs/dbraw/zinc/99/33/30/1195993330.db2.gz BVFUHWIMZJOGKS-MRXNPFEDSA-N 2 1 314.433 3.007 20 0 DGADMP Cc1noc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)n1 ZINC001656055576 1195993334 /nfs/dbraw/zinc/99/33/34/1195993334.db2.gz BVFUHWIMZJOGKS-MRXNPFEDSA-N 2 1 314.433 3.007 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001656298810 1196028138 /nfs/dbraw/zinc/02/81/38/1196028138.db2.gz NXFIDUCVIPOFKH-QUCCMNQESA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001656298810 1196028139 /nfs/dbraw/zinc/02/81/39/1196028139.db2.gz NXFIDUCVIPOFKH-QUCCMNQESA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001656298810 1196028143 /nfs/dbraw/zinc/02/81/43/1196028143.db2.gz NXFIDUCVIPOFKH-QUCCMNQESA-N 2 1 312.457 3.411 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C2 ZINC001656356929 1196032674 /nfs/dbraw/zinc/03/26/74/1196032674.db2.gz KHXMYXKKXSVELR-DOTOQJQBSA-N 2 1 304.478 3.261 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C2 ZINC001656356929 1196032676 /nfs/dbraw/zinc/03/26/76/1196032676.db2.gz KHXMYXKKXSVELR-DOTOQJQBSA-N 2 1 304.478 3.261 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](C[C@]4(C)CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001656574358 1196051065 /nfs/dbraw/zinc/05/10/65/1196051065.db2.gz RPDSTXNCLWCQKX-SOUVJXGZSA-N 2 1 317.304 3.378 20 0 DGADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(Cl)c1 ZINC001656583927 1196052080 /nfs/dbraw/zinc/05/20/80/1196052080.db2.gz ULLIBYZRNWENDY-UHFFFAOYSA-N 2 1 307.825 3.424 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC001656746714 1196068341 /nfs/dbraw/zinc/06/83/41/1196068341.db2.gz QMPWEPNCMSWFQY-UHFFFAOYSA-N 2 1 306.498 3.288 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC001656746714 1196068345 /nfs/dbraw/zinc/06/83/45/1196068345.db2.gz QMPWEPNCMSWFQY-UHFFFAOYSA-N 2 1 306.498 3.288 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC001656798368 1196072096 /nfs/dbraw/zinc/07/20/96/1196072096.db2.gz CMSPSCYOCKIPBH-UXHICEINSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC001656798368 1196072098 /nfs/dbraw/zinc/07/20/98/1196072098.db2.gz CMSPSCYOCKIPBH-UXHICEINSA-N 2 1 307.441 3.465 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC001656999224 1196091412 /nfs/dbraw/zinc/09/14/12/1196091412.db2.gz VUUIACCTNOLKKT-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001657290652 1196127631 /nfs/dbraw/zinc/12/76/31/1196127631.db2.gz CXZGPMABQTZSCO-SFHVURJKSA-N 2 1 304.478 3.302 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(CC)CC ZINC001657322301 1196130193 /nfs/dbraw/zinc/13/01/93/1196130193.db2.gz FXNMULKDMXREQI-IRXDYDNUSA-N 2 1 305.466 3.221 20 0 DGADMP COCc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC001657365506 1196134688 /nfs/dbraw/zinc/13/46/88/1196134688.db2.gz ZYBMPLIOVHXSIG-UHFFFAOYSA-N 2 1 302.462 3.330 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]2Cc2ccc(OC)cc2)CC1 ZINC001657373087 1196134851 /nfs/dbraw/zinc/13/48/51/1196134851.db2.gz QAPYIJATLMZSSM-SFHVURJKSA-N 2 1 302.462 3.044 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657427782 1196139952 /nfs/dbraw/zinc/13/99/52/1196139952.db2.gz KDDOGPYIERFVJT-QUCCMNQESA-N 2 1 318.505 3.194 20 0 DGADMP CCCn1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1 ZINC001657420653 1196140274 /nfs/dbraw/zinc/14/02/74/1196140274.db2.gz AVSYYQZQQMYKCG-UHFFFAOYSA-N 2 1 306.498 3.154 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)c(OC)n1 ZINC001658019689 1196203245 /nfs/dbraw/zinc/20/32/45/1196203245.db2.gz AEPXEKQFPGAWPI-UHFFFAOYSA-N 2 1 316.449 3.070 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)c(OC)n1 ZINC001658019689 1196203252 /nfs/dbraw/zinc/20/32/52/1196203252.db2.gz AEPXEKQFPGAWPI-UHFFFAOYSA-N 2 1 316.449 3.070 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC001658176026 1196221190 /nfs/dbraw/zinc/22/11/90/1196221190.db2.gz WROZNYAJPJQAGB-ARFHVFGLSA-N 2 1 312.379 3.221 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001658188525 1196223545 /nfs/dbraw/zinc/22/35/45/1196223545.db2.gz AUEIHQKFJIZBGQ-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)o1 ZINC001658274547 1196233630 /nfs/dbraw/zinc/23/36/30/1196233630.db2.gz KXIUFVONRRGTGN-OAHLLOKOSA-N 2 1 315.417 3.458 20 0 DGADMP CCn1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348536 1196245564 /nfs/dbraw/zinc/24/55/64/1196245564.db2.gz ZDRNOXJANMOPEP-AEFFLSMTSA-N 2 1 318.509 3.298 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001658697348 1196289195 /nfs/dbraw/zinc/28/91/95/1196289195.db2.gz XCJBKJYROQPZME-RTBURBONSA-N 2 1 310.526 3.493 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](CC)CC2)cc1OC ZINC001658698602 1196289940 /nfs/dbraw/zinc/28/99/40/1196289940.db2.gz WEWPKCQRAYXUJX-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP Fc1ccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC001658828662 1196306400 /nfs/dbraw/zinc/30/64/00/1196306400.db2.gz UQSZWQMJBGWCCR-INIZCTEOSA-N 2 1 308.416 3.315 20 0 DGADMP CCC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001658851434 1196309874 /nfs/dbraw/zinc/30/98/74/1196309874.db2.gz WYEBMANTVXWTKK-KSZLIROESA-N 2 1 308.510 3.244 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001659120448 1196348098 /nfs/dbraw/zinc/34/80/98/1196348098.db2.gz QACMFQANIXCXFK-INIZCTEOSA-N 2 1 302.462 3.318 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001659120448 1196348100 /nfs/dbraw/zinc/34/81/00/1196348100.db2.gz QACMFQANIXCXFK-INIZCTEOSA-N 2 1 302.462 3.318 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC001659772674 1196413446 /nfs/dbraw/zinc/41/34/46/1196413446.db2.gz AKZWWAQTUYEGPY-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001659384723 1196377953 /nfs/dbraw/zinc/37/79/53/1196377953.db2.gz DBVTVXJAPNHWJY-IBGZPJMESA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421366 1196381622 /nfs/dbraw/zinc/38/16/22/1196381622.db2.gz VYAGNLADHCAHNJ-SJORKVTESA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC001659421366 1196381625 /nfs/dbraw/zinc/38/16/25/1196381625.db2.gz VYAGNLADHCAHNJ-SJORKVTESA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421366 1196381631 /nfs/dbraw/zinc/38/16/31/1196381631.db2.gz VYAGNLADHCAHNJ-SJORKVTESA-N 3 1 307.526 3.102 20 0 DGADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@H]1OC ZINC001659748004 1196410432 /nfs/dbraw/zinc/41/04/32/1196410432.db2.gz FBOMNLKHYGNWTI-KZNAEPCWSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1C ZINC001659918329 1196428586 /nfs/dbraw/zinc/42/85/86/1196428586.db2.gz MCOXEBOLNFKUSB-SFHVURJKSA-N 2 1 309.457 3.452 20 0 DGADMP C[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)CCN1c1cc[nH+]cc1 ZINC001659975289 1196433745 /nfs/dbraw/zinc/43/37/45/1196433745.db2.gz KDJBZVNWHCTCGX-CQSZACIVSA-N 2 1 317.383 3.113 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001660126228 1196448888 /nfs/dbraw/zinc/44/88/88/1196448888.db2.gz BIJQSGLPKPHKMD-NXHRZFHOSA-N 2 1 324.509 3.351 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001660126228 1196448891 /nfs/dbraw/zinc/44/88/91/1196448891.db2.gz BIJQSGLPKPHKMD-NXHRZFHOSA-N 2 1 324.509 3.351 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001660244376 1196461858 /nfs/dbraw/zinc/46/18/58/1196461858.db2.gz VDJXOXZZFKBCJP-UHFFFAOYSA-N 2 1 306.498 3.433 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001660244376 1196461860 /nfs/dbraw/zinc/46/18/60/1196461860.db2.gz VDJXOXZZFKBCJP-UHFFFAOYSA-N 2 1 306.498 3.433 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCCc3ccncc3)CC2)cc1 ZINC000076276822 1196468680 /nfs/dbraw/zinc/46/86/80/1196468680.db2.gz LUPPTQYHUCXFIX-UHFFFAOYSA-N 2 1 309.457 3.268 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCC2 ZINC001660369423 1196475985 /nfs/dbraw/zinc/47/59/85/1196475985.db2.gz BAKHRVHPNTYMQJ-YJBOKZPZSA-N 2 1 302.462 3.174 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001660592075 1196500979 /nfs/dbraw/zinc/50/09/79/1196500979.db2.gz PQVZPBHOLMINPU-ZGXWSNOMSA-N 2 1 321.553 3.159 20 0 DGADMP CC(C)(C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC001660768149 1196521623 /nfs/dbraw/zinc/52/16/23/1196521623.db2.gz ZIAWFEIWQQGTHJ-INIZCTEOSA-N 2 1 302.462 3.407 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805066 1196527578 /nfs/dbraw/zinc/52/75/78/1196527578.db2.gz HFBAVMNJRIREMS-PKOBYXMFSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805066 1196527581 /nfs/dbraw/zinc/52/75/81/1196527581.db2.gz HFBAVMNJRIREMS-PKOBYXMFSA-N 2 1 315.505 3.286 20 0 DGADMP CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1OC ZINC001660850630 1196535131 /nfs/dbraw/zinc/53/51/31/1196535131.db2.gz WPVNJMNREHVYML-UHFFFAOYSA-N 2 1 308.466 3.114 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1OC ZINC001660850630 1196535135 /nfs/dbraw/zinc/53/51/35/1196535135.db2.gz WPVNJMNREHVYML-UHFFFAOYSA-N 2 1 308.466 3.114 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC001661194810 1196579212 /nfs/dbraw/zinc/57/92/12/1196579212.db2.gz ALZJUXCQLRMZJU-UHFFFAOYSA-N 2 1 312.442 3.413 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001661292477 1196592114 /nfs/dbraw/zinc/59/21/14/1196592114.db2.gz QHSOQIJJBCNVNM-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP CC(C)c1ccccc1OCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001661478769 1196610576 /nfs/dbraw/zinc/61/05/76/1196610576.db2.gz QVCQTEKHWADXKJ-UHFFFAOYSA-N 2 1 313.445 3.440 20 0 DGADMP CCCn1cncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188166 1196691816 /nfs/dbraw/zinc/69/18/16/1196691816.db2.gz NQNHLTOXAGRCSZ-JKSUJKDBSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1cncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188166 1196691817 /nfs/dbraw/zinc/69/18/17/1196691817.db2.gz NQNHLTOXAGRCSZ-JKSUJKDBSA-N 2 1 304.482 3.036 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001662618714 1196734515 /nfs/dbraw/zinc/73/45/15/1196734515.db2.gz FORJSUJZOTZYGC-UHFFFAOYSA-N 2 1 301.777 3.286 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780372 1196944842 /nfs/dbraw/zinc/94/48/42/1196944842.db2.gz BADOMDOZKIBVMG-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780372 1196944845 /nfs/dbraw/zinc/94/48/45/1196944845.db2.gz BADOMDOZKIBVMG-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780372 1196944848 /nfs/dbraw/zinc/94/48/48/1196944848.db2.gz BADOMDOZKIBVMG-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780372 1196944851 /nfs/dbraw/zinc/94/48/51/1196944851.db2.gz BADOMDOZKIBVMG-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP CC[C@@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001663949248 1196960538 /nfs/dbraw/zinc/96/05/38/1196960538.db2.gz CFIOKTOGYAZEAK-OALUTQOASA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@@](C)(C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001663949248 1196960540 /nfs/dbraw/zinc/96/05/40/1196960540.db2.gz CFIOKTOGYAZEAK-OALUTQOASA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001663949248 1196960541 /nfs/dbraw/zinc/96/05/41/1196960541.db2.gz CFIOKTOGYAZEAK-OALUTQOASA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](CC1CCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001663998093 1196963556 /nfs/dbraw/zinc/96/35/56/1196963556.db2.gz MHEPPKICGNWVOD-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001665576140 1197153692 /nfs/dbraw/zinc/15/36/92/1197153692.db2.gz OMYYUZZVIHSNFU-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)s2)CC1 ZINC000083418369 1197427409 /nfs/dbraw/zinc/42/74/09/1197427409.db2.gz WUTORFICPQNJCT-JTQLQIEISA-N 2 1 303.269 3.085 20 0 DGADMP CCc1ncc(CNCc2ccc(-n3ccnc3)c(F)c2)s1 ZINC000084017529 1197457703 /nfs/dbraw/zinc/45/77/03/1197457703.db2.gz KJTFCHDEKFAFIR-UHFFFAOYSA-N 2 1 316.405 3.320 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]12 ZINC000323926701 1197691636 /nfs/dbraw/zinc/69/16/36/1197691636.db2.gz WPRIFAQCOSJBCC-HMXCVIKNSA-N 2 1 306.453 3.488 20 0 DGADMP CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001674788590 1197875254 /nfs/dbraw/zinc/87/52/54/1197875254.db2.gz UYZQMUZFKSGHCG-DAWZGUTISA-N 2 1 323.525 3.020 20 0 DGADMP CCc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000092369522 1198564003 /nfs/dbraw/zinc/56/40/03/1198564003.db2.gz PWSQZAXQRAEFJV-UHFFFAOYSA-N 2 1 314.477 3.113 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000120824018 1198735657 /nfs/dbraw/zinc/73/56/57/1198735657.db2.gz NQSCDXORPVJILO-INIZCTEOSA-N 2 1 308.441 3.292 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000120824018 1198735664 /nfs/dbraw/zinc/73/56/64/1198735664.db2.gz NQSCDXORPVJILO-INIZCTEOSA-N 2 1 308.441 3.292 20 0 DGADMP CCc1nc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cs1 ZINC000105448955 1199540981 /nfs/dbraw/zinc/54/09/81/1199540981.db2.gz DTBGPUUELYNBRI-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP CCc1nc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cs1 ZINC000105448955 1199540983 /nfs/dbraw/zinc/54/09/83/1199540983.db2.gz DTBGPUUELYNBRI-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)c(C)nc2s1 ZINC000105456958 1199541159 /nfs/dbraw/zinc/54/11/59/1199541159.db2.gz SVWNNAUPVPLWBW-HNNXBMFYSA-N 2 1 320.506 3.223 20 0 DGADMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)c(C)nc2s1 ZINC000105456958 1199541163 /nfs/dbraw/zinc/54/11/63/1199541163.db2.gz SVWNNAUPVPLWBW-HNNXBMFYSA-N 2 1 320.506 3.223 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000105457651 1199542581 /nfs/dbraw/zinc/54/25/81/1199542581.db2.gz LJTOOCWTPVIHDX-AWEZNQCLSA-N 2 1 312.404 3.498 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000105457651 1199542586 /nfs/dbraw/zinc/54/25/86/1199542586.db2.gz LJTOOCWTPVIHDX-AWEZNQCLSA-N 2 1 312.404 3.498 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000108428566 1199604152 /nfs/dbraw/zinc/60/41/52/1199604152.db2.gz VMDJFPPMTLCHQP-NVXWUHKLSA-N 2 1 320.477 3.304 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313698881 1199772921 /nfs/dbraw/zinc/77/29/21/1199772921.db2.gz XWOMTBCVFJAENZ-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427111393 1199812974 /nfs/dbraw/zinc/81/29/74/1199812974.db2.gz ZKPOTQUUQIEBRY-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427111393 1199812978 /nfs/dbraw/zinc/81/29/78/1199812978.db2.gz ZKPOTQUUQIEBRY-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000318582801 1199833126 /nfs/dbraw/zinc/83/31/26/1199833126.db2.gz DOLMXNKCEVXORP-VQIMIIECSA-N 2 1 302.462 3.092 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC000318775162 1199834167 /nfs/dbraw/zinc/83/41/67/1199834167.db2.gz WUQWJSFXRFBASO-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC000318775162 1199834174 /nfs/dbraw/zinc/83/41/74/1199834174.db2.gz WUQWJSFXRFBASO-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000318859852 1199835730 /nfs/dbraw/zinc/83/57/30/1199835730.db2.gz OTIOTTSYONPMKC-JKSUJKDBSA-N 2 1 302.462 3.090 20 0 DGADMP CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754063110 1200091064 /nfs/dbraw/zinc/09/10/64/1200091064.db2.gz BLGNMSHQJVPESS-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120065668 1200131115 /nfs/dbraw/zinc/13/11/15/1200131115.db2.gz CFRWXJNLOAGVFX-FXAWDEMLSA-N 2 1 315.505 3.112 20 0 DGADMP CCCOc1c(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cccc1OCC ZINC000120785476 1200169915 /nfs/dbraw/zinc/16/99/15/1200169915.db2.gz CXFGFRIILDNLBA-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP CCCOc1c(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cccc1OCC ZINC000120785476 1200169919 /nfs/dbraw/zinc/16/99/19/1200169919.db2.gz CXFGFRIILDNLBA-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000120774450 1200170132 /nfs/dbraw/zinc/17/01/32/1200170132.db2.gz SDKSRKXUVMBANX-INIZCTEOSA-N 2 1 320.477 3.161 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000120774450 1200170137 /nfs/dbraw/zinc/17/01/37/1200170137.db2.gz SDKSRKXUVMBANX-INIZCTEOSA-N 2 1 320.477 3.161 20 0 DGADMP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000120970264 1200187065 /nfs/dbraw/zinc/18/70/65/1200187065.db2.gz HBYVCEGSLHMCAE-HNNXBMFYSA-N 2 1 312.461 3.382 20 0 DGADMP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754326154 1200215801 /nfs/dbraw/zinc/21/58/01/1200215801.db2.gz DLLQRPZKHVIIFL-PLQXZHKYSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000121828376 1200239881 /nfs/dbraw/zinc/23/98/81/1200239881.db2.gz RZNLDRANLCXDDI-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000121828376 1200239887 /nfs/dbraw/zinc/23/98/87/1200239887.db2.gz RZNLDRANLCXDDI-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000121854457 1200243203 /nfs/dbraw/zinc/24/32/03/1200243203.db2.gz KDZYSODLSHDIDA-MAUKXSAKSA-N 2 1 304.503 3.339 20 0 DGADMP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001755518656 1200931451 /nfs/dbraw/zinc/93/14/51/1200931451.db2.gz RYAKPHMDQLZDBA-QZTJIDSGSA-N 2 1 323.525 3.090 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001692223495 1200974791 /nfs/dbraw/zinc/97/47/91/1200974791.db2.gz KVPKZAQGVOFVBC-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001692332962 1201023826 /nfs/dbraw/zinc/02/38/26/1201023826.db2.gz JERXROGNYBWVTD-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001755701522 1201027047 /nfs/dbraw/zinc/02/70/47/1201027047.db2.gz PKIUKJLQDVMHTR-ZIFCJYIRSA-N 2 1 323.525 3.020 20 0 DGADMP c1cncc(-c2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000130612778 1201038633 /nfs/dbraw/zinc/03/86/33/1201038633.db2.gz RSJLCEPZVVRKLO-QGZVFWFLSA-N 2 1 307.441 3.323 20 0 DGADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001700316403 1202233560 /nfs/dbraw/zinc/23/35/60/1202233560.db2.gz ULANDTXCYCQGKM-HOTGVXAUSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001700316403 1202233563 /nfs/dbraw/zinc/23/35/63/1202233563.db2.gz ULANDTXCYCQGKM-HOTGVXAUSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001700316403 1202233565 /nfs/dbraw/zinc/23/35/65/1202233565.db2.gz ULANDTXCYCQGKM-HOTGVXAUSA-N 2 1 323.525 3.019 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000151878235 1202593369 /nfs/dbraw/zinc/59/33/69/1202593369.db2.gz IBYAGGRSNRFLRE-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000158171088 1202603414 /nfs/dbraw/zinc/60/34/14/1202603414.db2.gz OCKUCYVDJDPCHO-OAHLLOKOSA-N 2 1 321.896 3.240 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000158174241 1202603512 /nfs/dbraw/zinc/60/35/12/1202603512.db2.gz DLKADWKUOOQZOT-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP Cc1sc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1Br ZINC000234357794 1202603620 /nfs/dbraw/zinc/60/36/20/1202603620.db2.gz QWXIZMGDYCKMIV-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP Cc1sc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Br ZINC000234357794 1202603621 /nfs/dbraw/zinc/60/36/21/1202603621.db2.gz QWXIZMGDYCKMIV-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(Br)cc1 ZINC000234380411 1202603660 /nfs/dbraw/zinc/60/36/60/1202603660.db2.gz JFDHFIASTOCJHR-SWLSCSKDSA-N 2 1 311.267 3.064 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(Br)cc1 ZINC000234380411 1202603661 /nfs/dbraw/zinc/60/36/61/1202603661.db2.gz JFDHFIASTOCJHR-SWLSCSKDSA-N 2 1 311.267 3.064 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158590917 1202603803 /nfs/dbraw/zinc/60/38/03/1202603803.db2.gz FKQREWFNSSAFDW-UONOGXRCSA-N 2 1 302.340 3.287 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000158590917 1202603804 /nfs/dbraw/zinc/60/38/04/1202603804.db2.gz FKQREWFNSSAFDW-UONOGXRCSA-N 2 1 302.340 3.287 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC=C(C)C ZINC001713002270 1202609418 /nfs/dbraw/zinc/60/94/18/1202609418.db2.gz JCTIACHOBPFANZ-QZTJIDSGSA-N 2 1 323.525 3.044 20 0 DGADMP CCC(CC)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000236643201 1202616258 /nfs/dbraw/zinc/61/62/58/1202616258.db2.gz DNGVRTKNSNENGL-INIZCTEOSA-N 2 1 304.478 3.433 20 0 DGADMP CCC(CC)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000236643201 1202616259 /nfs/dbraw/zinc/61/62/59/1202616259.db2.gz DNGVRTKNSNENGL-INIZCTEOSA-N 2 1 304.478 3.433 20 0 DGADMP CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714408192 1202916492 /nfs/dbraw/zinc/91/64/92/1202916492.db2.gz PKLALZULPUIGQT-SJORKVTESA-N 2 1 323.525 3.068 20 0 DGADMP CCC[N@H+](CC=C(C)C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001714658125 1203082245 /nfs/dbraw/zinc/08/22/45/1203082245.db2.gz HMMXMLIRKARZOF-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CCC[NH+](CC=C(C)C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714658125 1203082248 /nfs/dbraw/zinc/08/22/48/1203082248.db2.gz HMMXMLIRKARZOF-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CCC[NH+](CC=C(C)C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714658125 1203082252 /nfs/dbraw/zinc/08/22/52/1203082252.db2.gz HMMXMLIRKARZOF-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716852488 1203556573 /nfs/dbraw/zinc/55/65/73/1203556573.db2.gz GMKYDQAWDZZQIR-LJQANCHMSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717196161 1203596928 /nfs/dbraw/zinc/59/69/28/1203596928.db2.gz XSMZGAFEEBEWBF-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000164307398 1203638996 /nfs/dbraw/zinc/63/89/96/1203638996.db2.gz QPCWMWZDEPGZKL-FQEVSTJZSA-N 2 1 322.452 3.244 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000165600604 1203765931 /nfs/dbraw/zinc/76/59/31/1203765931.db2.gz QXHBUSDHVWWBAX-AWEZNQCLSA-N 2 1 318.509 3.472 20 0 DGADMP CC(C)[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001731337760 1204377142 /nfs/dbraw/zinc/37/71/42/1204377142.db2.gz VFBOWSHJPYUQDE-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH+](CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001731337760 1204377146 /nfs/dbraw/zinc/37/71/46/1204377146.db2.gz VFBOWSHJPYUQDE-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001731337760 1204377150 /nfs/dbraw/zinc/37/71/50/1204377150.db2.gz VFBOWSHJPYUQDE-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCC1 ZINC001732393484 1204817569 /nfs/dbraw/zinc/81/75/69/1204817569.db2.gz RDEVGDNAFHTGSA-UHFFFAOYSA-N 2 1 323.525 3.066 20 0 DGADMP COc1ccc2c(C)cc(N(C)CC3CC[NH+](C)CC3)[nH+]c2c1 ZINC001165042109 721935102 /nfs/dbraw/zinc/93/51/02/721935102.db2.gz GAYBCBJHOZIMBS-UHFFFAOYSA-N 2 1 313.445 3.330 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC001256181544 1106386026 /nfs/dbraw/zinc/38/60/26/1106386026.db2.gz XLOUNCFPXRBCQP-GFCCVEGCSA-N 2 1 311.267 3.193 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169923824 1081681850 /nfs/dbraw/zinc/68/18/50/1081681850.db2.gz JGDBSIDKXLNPTP-KBAYOESNSA-N 2 1 324.509 3.433 20 0 DGADMP c1ccc2c(c1)CN(c1ccc3c([nH+]1)CCC3)CC21CC[NH2+]CC1 ZINC001167159667 1081776579 /nfs/dbraw/zinc/77/65/79/1081776579.db2.gz GIZNMUNKYQCAKG-UHFFFAOYSA-N 2 1 319.452 3.212 20 0 DGADMP CC(C)[N@@H+](C1CCN(C)CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170010662 1081859014 /nfs/dbraw/zinc/85/90/14/1081859014.db2.gz HHRIPDPOQLEQJI-UHFFFAOYSA-N 2 1 311.514 3.202 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211257880 1082100326 /nfs/dbraw/zinc/10/03/26/1082100326.db2.gz WHCCJHMUDQJRCN-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001170235252 1082323041 /nfs/dbraw/zinc/32/30/41/1082323041.db2.gz LIWJXFKCZDOEIJ-VAMGGRTRSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001170235252 1082323047 /nfs/dbraw/zinc/32/30/47/1082323047.db2.gz LIWJXFKCZDOEIJ-VAMGGRTRSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001170235252 1082323055 /nfs/dbraw/zinc/32/30/55/1082323055.db2.gz LIWJXFKCZDOEIJ-VAMGGRTRSA-N 2 1 316.489 3.398 20 0 DGADMP CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC001167508583 1082465596 /nfs/dbraw/zinc/46/55/96/1082465596.db2.gz HFDXKCBICIHOGB-JZXOWHBKSA-N 2 1 322.493 3.316 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000690736620 1082488695 /nfs/dbraw/zinc/48/86/95/1082488695.db2.gz BOZQUSMNOCEZLA-SNVBAGLBSA-N 2 1 317.658 3.273 20 0 DGADMP CC(C)[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267085565 1082491044 /nfs/dbraw/zinc/49/10/44/1082491044.db2.gz PODGXHGTWSDEBJ-SJORKVTESA-N 2 1 323.525 3.066 20 0 DGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207287470 1082525924 /nfs/dbraw/zinc/52/59/24/1082525924.db2.gz FEAMQFHWTWDBIZ-MRXNPFEDSA-N 2 1 320.477 3.028 20 0 DGADMP CCC1(CC)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001167655785 1082659938 /nfs/dbraw/zinc/65/99/38/1082659938.db2.gz AFVWRUAOZPMWAD-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(CC)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001167655785 1082659941 /nfs/dbraw/zinc/65/99/41/1082659941.db2.gz AFVWRUAOZPMWAD-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(CC)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167655785 1082659946 /nfs/dbraw/zinc/65/99/46/1082659946.db2.gz AFVWRUAOZPMWAD-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(CC)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167655785 1082659950 /nfs/dbraw/zinc/65/99/50/1082659950.db2.gz AFVWRUAOZPMWAD-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCC3SCCS3)CC2)cc1 ZINC000693786506 1082729471 /nfs/dbraw/zinc/72/94/71/1082729471.db2.gz WSPJEGZQDPQUOP-UHFFFAOYSA-N 2 1 322.543 3.437 20 0 DGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107168 1082820171 /nfs/dbraw/zinc/82/01/71/1082820171.db2.gz YFCWRVWWAAIVLM-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537536 1082837138 /nfs/dbraw/zinc/83/71/38/1082837138.db2.gz KYKZMTNSHNLRSG-HOCLYGCPSA-N 2 1 321.428 3.138 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537536 1082837145 /nfs/dbraw/zinc/83/71/45/1082837145.db2.gz KYKZMTNSHNLRSG-HOCLYGCPSA-N 2 1 321.428 3.138 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708546208 1082843733 /nfs/dbraw/zinc/84/37/33/1082843733.db2.gz UHNIVIXWECNRDV-MJGOQNOKSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708546208 1082843745 /nfs/dbraw/zinc/84/37/45/1082843745.db2.gz UHNIVIXWECNRDV-MJGOQNOKSA-N 2 1 309.457 3.248 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132375696 1082894350 /nfs/dbraw/zinc/89/43/50/1082894350.db2.gz GIHCWZSWPOHBNP-GBXWSJCFSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCCC1 ZINC001115608501 1082900035 /nfs/dbraw/zinc/90/00/35/1082900035.db2.gz PRWXNJWQTALSAE-UHFFFAOYSA-N 2 1 323.525 3.068 20 0 DGADMP CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC001170715325 1083219215 /nfs/dbraw/zinc/21/92/15/1083219215.db2.gz GJAYAMQLQAVPPC-REPLKXPHSA-N 2 1 314.473 3.043 20 0 DGADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170757535 1083306816 /nfs/dbraw/zinc/30/68/16/1083306816.db2.gz LEXRXWFJDCOFQV-KJFMYELZSA-N 2 1 310.485 3.485 20 0 DGADMP CC1(C)[C@@H]2C[C@H]([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170757535 1083306819 /nfs/dbraw/zinc/30/68/19/1083306819.db2.gz LEXRXWFJDCOFQV-KJFMYELZSA-N 2 1 310.485 3.485 20 0 DGADMP CC1(C)[C@@H]2C[C@H]([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170757535 1083306826 /nfs/dbraw/zinc/30/68/26/1083306826.db2.gz LEXRXWFJDCOFQV-KJFMYELZSA-N 2 1 310.485 3.485 20 0 DGADMP CC(C)C1CCC(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC001181464069 1083471926 /nfs/dbraw/zinc/47/19/26/1083471926.db2.gz IFQSSQFMFHJCIY-UHFFFAOYSA-N 2 1 323.569 3.407 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001167750676 1083621415 /nfs/dbraw/zinc/62/14/15/1083621415.db2.gz BTWODCXNVPPTPH-NVXWUHKLSA-N 2 1 302.466 3.183 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288694 1084083106 /nfs/dbraw/zinc/08/31/06/1084083106.db2.gz NJQCNGKHZHRTKL-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288694 1084083117 /nfs/dbraw/zinc/08/31/17/1084083117.db2.gz NJQCNGKHZHRTKL-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCC(=O)OC)C1CCCC1 ZINC001167825849 1084118009 /nfs/dbraw/zinc/11/80/09/1084118009.db2.gz LCGOMQJQZKFTDF-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167838724 1084165124 /nfs/dbraw/zinc/16/51/24/1084165124.db2.gz WJAZEWIUZJTXRM-BRWVUGGUSA-N 2 1 312.498 3.161 20 0 DGADMP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268159227 1084254833 /nfs/dbraw/zinc/25/48/33/1084254833.db2.gz LUFOGAVYLGETOP-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001268160131 1084254943 /nfs/dbraw/zinc/25/49/43/1084254943.db2.gz QQKZAPXFQSUBHW-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(Nc2cnn(CCC[NH+](C)C)c2)cc1 ZINC001186997351 1084742327 /nfs/dbraw/zinc/74/23/27/1084742327.db2.gz PSIHBBQNPKQXGR-UHFFFAOYSA-N 2 1 324.432 3.073 20 0 DGADMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)c(F)c1 ZINC001167963993 1085822033 /nfs/dbraw/zinc/82/20/33/1085822033.db2.gz IXUGTQOKEMPXRM-GOOCMWNKSA-N 2 1 319.399 3.285 20 0 DGADMP Cn1cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2n1 ZINC001167965681 1085856774 /nfs/dbraw/zinc/85/67/74/1085856774.db2.gz KMOCPJWGDCWXHE-YQQQUEKLSA-N 2 1 324.472 3.068 20 0 DGADMP C[C@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974307 1085914871 /nfs/dbraw/zinc/91/48/71/1085914871.db2.gz VHSMKTXKDDFCAZ-BPIHKTFHSA-N 2 1 314.473 3.449 20 0 DGADMP Cc1cc2c(cn1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167975133 1085919471 /nfs/dbraw/zinc/91/94/71/1085919471.db2.gz IGBWTXXPETZERW-AQDPXUSMSA-N 2 1 311.473 3.372 20 0 DGADMP Fc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167977368 1085927514 /nfs/dbraw/zinc/92/75/14/1085927514.db2.gz BLGNPIZPKAVTND-XUBOLADHSA-N 2 1 314.448 3.288 20 0 DGADMP c1cncc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167978731 1085928937 /nfs/dbraw/zinc/92/89/37/1085928937.db2.gz RTCCOPQOMSVCJL-YQQQUEKLSA-N 2 1 311.473 3.152 20 0 DGADMP Cc1ccc([C@@H](CO)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981603 1085935035 /nfs/dbraw/zinc/93/50/35/1085935035.db2.gz BFXLRNHTVDDPLE-RAFMOHDBSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1ccc([C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167981603 1085935045 /nfs/dbraw/zinc/93/50/45/1085935045.db2.gz BFXLRNHTVDDPLE-RAFMOHDBSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1ccc([C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981603 1085935051 /nfs/dbraw/zinc/93/50/51/1085935051.db2.gz BFXLRNHTVDDPLE-RAFMOHDBSA-N 2 1 314.473 3.023 20 0 DGADMP CCC[N@@H+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003787 1086124954 /nfs/dbraw/zinc/12/49/54/1086124954.db2.gz QRGAYVKIBHKBHO-DFNIBXOVSA-N 2 1 306.494 3.283 20 0 DGADMP CCC[NH+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003787 1086124957 /nfs/dbraw/zinc/12/49/57/1086124957.db2.gz QRGAYVKIBHKBHO-DFNIBXOVSA-N 2 1 306.494 3.283 20 0 DGADMP CCC[NH+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003787 1086124963 /nfs/dbraw/zinc/12/49/63/1086124963.db2.gz QRGAYVKIBHKBHO-DFNIBXOVSA-N 2 1 306.494 3.283 20 0 DGADMP CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008168 1086168462 /nfs/dbraw/zinc/16/84/62/1086168462.db2.gz WIQMNVRZFWTXPY-IZZQQSIFSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204757549 1086173559 /nfs/dbraw/zinc/17/35/59/1086173559.db2.gz ZPVOZABBESMXDB-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CC(NC[C@@H]2CCC[N@H+]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011384 1086214645 /nfs/dbraw/zinc/21/46/45/1086214645.db2.gz OSMOGMPUWJQLRQ-HLIPFELVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1CC([NH2+]C[C@@H]2CCCN2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011384 1086214647 /nfs/dbraw/zinc/21/46/47/1086214647.db2.gz OSMOGMPUWJQLRQ-HLIPFELVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012422 1086242250 /nfs/dbraw/zinc/24/22/50/1086242250.db2.gz ZUIOQEKUVHDEIA-ZAWLATJESA-N 3 1 315.505 3.288 20 0 DGADMP C[C@H]1CC(N[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014882 1086278044 /nfs/dbraw/zinc/27/80/44/1086278044.db2.gz MWGUIJLPBODIRO-LNLFQRSKSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1CC(N[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014882 1086278056 /nfs/dbraw/zinc/27/80/56/1086278056.db2.gz MWGUIJLPBODIRO-LNLFQRSKSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2CSC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018290 1086325785 /nfs/dbraw/zinc/32/57/85/1086325785.db2.gz ZBWMUIWHRJNVHI-JLVBRIDZSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032508 1086464985 /nfs/dbraw/zinc/46/49/85/1086464985.db2.gz HCRDMEQXUPTTPQ-DLRXZHIHSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](O)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168039020 1086496515 /nfs/dbraw/zinc/49/65/15/1086496515.db2.gz AYCQSCRRAVNUJB-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H](O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039020 1086496519 /nfs/dbraw/zinc/49/65/19/1086496519.db2.gz AYCQSCRRAVNUJB-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039020 1086496525 /nfs/dbraw/zinc/49/65/25/1086496525.db2.gz AYCQSCRRAVNUJB-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039020 1086496530 /nfs/dbraw/zinc/49/65/30/1086496530.db2.gz AYCQSCRRAVNUJB-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039020 1086496536 /nfs/dbraw/zinc/49/65/36/1086496536.db2.gz AYCQSCRRAVNUJB-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP CO[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168039903 1086499215 /nfs/dbraw/zinc/49/92/15/1086499215.db2.gz IMGPCKSJKAAEMV-GPMSIDNRSA-N 2 1 302.462 3.149 20 0 DGADMP CC[N@H+](CCOC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041425 1086508665 /nfs/dbraw/zinc/50/86/65/1086508665.db2.gz SJBOCLCJQMIWEP-IAGOWNOFSA-N 2 1 304.478 3.396 20 0 DGADMP CC[N@@H+](CCOC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041425 1086508677 /nfs/dbraw/zinc/50/86/77/1086508677.db2.gz SJBOCLCJQMIWEP-IAGOWNOFSA-N 2 1 304.478 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCOC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041620 1086510211 /nfs/dbraw/zinc/51/02/11/1086510211.db2.gz UIXOTWQLGUEFSV-IZZQQSIFSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041620 1086510217 /nfs/dbraw/zinc/51/02/17/1086510217.db2.gz UIXOTWQLGUEFSV-IZZQQSIFSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC3(COC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168045795 1086525497 /nfs/dbraw/zinc/52/54/97/1086525497.db2.gz KKOJSMVVFZWZMX-IAGOWNOFSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H](n2ncc3c2CC[NH2+]C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168045789 1086525922 /nfs/dbraw/zinc/52/59/22/1086525922.db2.gz KJNGQEODZBXCGJ-HGKCTWBKSA-N 2 1 324.472 3.143 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@H](O)C[C@@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064943 1086658890 /nfs/dbraw/zinc/65/88/90/1086658890.db2.gz SOWBWXPGAAJYJT-WWNBULGVSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@H](O)C[C@@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064943 1086658895 /nfs/dbraw/zinc/65/88/95/1086658895.db2.gz SOWBWXPGAAJYJT-WWNBULGVSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064938 1086658914 /nfs/dbraw/zinc/65/89/14/1086658914.db2.gz SOWBWXPGAAJYJT-JEIKXUOUSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064938 1086658917 /nfs/dbraw/zinc/65/89/17/1086658917.db2.gz SOWBWXPGAAJYJT-JEIKXUOUSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](O)C[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064938 1086658920 /nfs/dbraw/zinc/65/89/20/1086658920.db2.gz SOWBWXPGAAJYJT-JEIKXUOUSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](O)C[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064938 1086658923 /nfs/dbraw/zinc/65/89/23/1086658923.db2.gz SOWBWXPGAAJYJT-JEIKXUOUSA-N 2 1 316.489 3.273 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC001168231073 1087064899 /nfs/dbraw/zinc/06/48/99/1087064899.db2.gz NMMHNPGXFLBHPH-JTDSTZFVSA-N 2 1 316.489 3.120 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168251246 1087073410 /nfs/dbraw/zinc/07/34/10/1087073410.db2.gz GJRHZYHXSTVUEY-BZSNNMDCSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)cc(OC)c1 ZINC001168322793 1087293518 /nfs/dbraw/zinc/29/35/18/1087293518.db2.gz IHZCETUXIKDVFY-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)cc1OC ZINC001168323218 1087293567 /nfs/dbraw/zinc/29/35/67/1087293567.db2.gz VFWZFAPLOHGZII-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001168323232 1087293580 /nfs/dbraw/zinc/29/35/80/1087293580.db2.gz VXOKZFBCHGSRCC-UYSNPLJNSA-N 2 1 324.415 3.291 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCc3nn(-c4ccccc4)cc3C2)CC1 ZINC001168328212 1087295473 /nfs/dbraw/zinc/29/54/73/1087295473.db2.gz ZUCVVKLPEVJPEP-UHFFFAOYSA-N 2 1 324.472 3.103 20 0 DGADMP CCc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212144970 1087539834 /nfs/dbraw/zinc/53/98/34/1087539834.db2.gz IHTIYOXNMPOGJF-INIZCTEOSA-N 2 1 316.449 3.467 20 0 DGADMP Cc1c[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc1NC1CC1 ZINC001158259729 1087746462 /nfs/dbraw/zinc/74/64/62/1087746462.db2.gz SFCAHGVDOIIRCL-KSSFIOAISA-N 2 1 317.481 3.315 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205110293 1087937876 /nfs/dbraw/zinc/93/78/76/1087937876.db2.gz QXEJQUXEYURTEY-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205110293 1087937891 /nfs/dbraw/zinc/93/78/91/1087937891.db2.gz QXEJQUXEYURTEY-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP Fc1ccc(Cl)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1Cl ZINC001235342194 1088316582 /nfs/dbraw/zinc/31/65/82/1088316582.db2.gz UUDTYHODZVOZJG-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1OCC1CC1 ZINC001206649586 1088347621 /nfs/dbraw/zinc/34/76/21/1088347621.db2.gz WHPUAUMGSNFERD-INIZCTEOSA-N 2 1 318.461 3.045 20 0 DGADMP CCOc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205156190 1088363818 /nfs/dbraw/zinc/36/38/18/1088363818.db2.gz QUBUZGCXIYJKTK-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205156190 1088363834 /nfs/dbraw/zinc/36/38/34/1088363834.db2.gz QUBUZGCXIYJKTK-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC001235749068 1088393049 /nfs/dbraw/zinc/39/30/49/1088393049.db2.gz GRJPVCWPKQOXEB-LBPRGKRZSA-N 2 1 311.267 3.353 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC001235749068 1088393054 /nfs/dbraw/zinc/39/30/54/1088393054.db2.gz GRJPVCWPKQOXEB-LBPRGKRZSA-N 2 1 311.267 3.353 20 0 DGADMP Cc1c(Br)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1C ZINC001235938450 1088482866 /nfs/dbraw/zinc/48/28/66/1088482866.db2.gz KKKNJEGOKOFHDY-GJZGRUSLSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1c(Br)ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1C ZINC001235938450 1088482868 /nfs/dbraw/zinc/48/28/68/1088482868.db2.gz KKKNJEGOKOFHDY-GJZGRUSLSA-N 2 1 323.278 3.107 20 0 DGADMP [NH3+][C@H]1Cc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2C1 ZINC001159827092 1088507327 /nfs/dbraw/zinc/50/73/27/1088507327.db2.gz LJRRCDIFINOFPL-IBGZPJMESA-N 2 1 319.452 3.314 20 0 DGADMP Fc1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001160141054 1088665008 /nfs/dbraw/zinc/66/50/08/1088665008.db2.gz AEOWQKVVZVYSLD-CYBMUJFWSA-N 2 1 312.348 3.186 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC001160172891 1088684281 /nfs/dbraw/zinc/68/42/81/1088684281.db2.gz YJIYTSMFBOXIAS-LLVKDONJSA-N 2 1 323.318 3.007 20 0 DGADMP c1cc2c(c(Nc3cccc4cc[nH+]cc43)c1)[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394319 1088778532 /nfs/dbraw/zinc/77/85/32/1088778532.db2.gz HFVOZZCLLCECSR-KSSFIOAISA-N 2 1 303.365 3.426 20 0 DGADMP c1cc2c(c(Nc3ccc4c[nH+]ccc4c3)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394353 1088779038 /nfs/dbraw/zinc/77/90/38/1088779038.db2.gz IDDAVCVJLDASRC-CRAIPNDOSA-N 2 1 303.365 3.426 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001154989316 1088877519 /nfs/dbraw/zinc/87/75/19/1088877519.db2.gz NGEBQCBJHQMKKZ-IXDOHACOSA-N 2 1 302.466 3.310 20 0 DGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160739510 1088936076 /nfs/dbraw/zinc/93/60/76/1088936076.db2.gz MWCCMLSZOXLMRW-ZIAGYGMSSA-N 2 1 309.335 3.496 20 0 DGADMP COc1cc2c[nH+]c(Nc3cccc(CC[NH3+])c3)cc2cc1OC ZINC001161076702 1089107551 /nfs/dbraw/zinc/10/75/51/1089107551.db2.gz HHTASVFSRHQPSS-UHFFFAOYSA-N 2 1 323.396 3.497 20 0 DGADMP CCC(CC)[NH+]1CCC(Nc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001161095504 1089112197 /nfs/dbraw/zinc/11/21/97/1089112197.db2.gz ZQYKMKZTDSNZGD-UHFFFAOYSA-N 2 1 317.481 3.142 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC[C@@H]1C ZINC001206674783 1089190931 /nfs/dbraw/zinc/19/09/31/1089190931.db2.gz XDEDNDGHUZWBNS-ROUUACIJSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC[C@@H]1C ZINC001206674783 1089190938 /nfs/dbraw/zinc/19/09/38/1089190938.db2.gz XDEDNDGHUZWBNS-ROUUACIJSA-N 2 1 316.489 3.387 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H](C)C[NH+](C)C)nc1 ZINC001155923040 1089301316 /nfs/dbraw/zinc/30/13/16/1089301316.db2.gz CWAZZFPXPQIHQX-WBVHZDCISA-N 2 1 304.482 3.381 20 0 DGADMP c1cnc(C2CC[NH2+]CC2)c(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC001156000285 1089338709 /nfs/dbraw/zinc/33/87/09/1089338709.db2.gz UNWHNBTYISYIRQ-UHFFFAOYSA-N 2 1 308.429 3.433 20 0 DGADMP CCc1nc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(C)[nH+]1 ZINC001161680288 1089342240 /nfs/dbraw/zinc/34/22/40/1089342240.db2.gz NDWMUWWXIGXQJR-SHTZXODSSA-N 2 1 304.482 3.470 20 0 DGADMP C[NH+]1CCC2(CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)CC1 ZINC001156582374 1089593147 /nfs/dbraw/zinc/59/31/47/1089593147.db2.gz KJUGWFFOCAGZBL-UHFFFAOYSA-N 2 1 324.472 3.364 20 0 DGADMP Cc1c[nH+]c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(N)c1 ZINC001162187472 1089599507 /nfs/dbraw/zinc/59/95/07/1089599507.db2.gz TVOTWBDBWVXJST-WKILWMFISA-N 2 1 302.466 3.239 20 0 DGADMP CC(C)(C)OC(=O)Nc1cc(N[C@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC001162395049 1089710658 /nfs/dbraw/zinc/71/06/58/1089710658.db2.gz BOZBYEQUOROPGC-RYUDHWBXSA-N 2 1 306.410 3.110 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C[NH+](C)C2CC2)cn1 ZINC001156925754 1089749266 /nfs/dbraw/zinc/74/92/66/1089749266.db2.gz OLBNXLUIXSINCP-MRXNPFEDSA-N 2 1 316.493 3.352 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCNc1ccc(C[N@H+](C)C2CC2)cn1 ZINC001156925754 1089749276 /nfs/dbraw/zinc/74/92/76/1089749276.db2.gz OLBNXLUIXSINCP-MRXNPFEDSA-N 2 1 316.493 3.352 20 0 DGADMP CCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001484920124 1089752971 /nfs/dbraw/zinc/75/29/71/1089752971.db2.gz YZRXTJHIUAZRNF-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1[NH2+]CC[C@H]1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001162675772 1089875219 /nfs/dbraw/zinc/87/52/19/1089875219.db2.gz FNPFXITYRFXSLX-FOIQADDNSA-N 2 1 307.441 3.365 20 0 DGADMP Cc1c[nH+]c(NC2CCC(C[NH+](C)C)CC2)nc1NC(C)C ZINC001163296735 1090142099 /nfs/dbraw/zinc/14/20/99/1090142099.db2.gz RLWHAPNAFUBGLB-UHFFFAOYSA-N 2 1 305.470 3.138 20 0 DGADMP Cc1ccc2c(C)cc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c2c1 ZINC001163310595 1090146323 /nfs/dbraw/zinc/14/63/23/1090146323.db2.gz MPSLGSQTGWLSRC-HNAYVOBHSA-N 2 1 311.429 3.175 20 0 DGADMP Cc1c[nH+]c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c(N)c1 ZINC001163320568 1090150401 /nfs/dbraw/zinc/15/04/01/1090150401.db2.gz VHGGUGNTPLUIIA-HNNXBMFYSA-N 2 1 300.450 3.205 20 0 DGADMP CCCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001485476291 1090181608 /nfs/dbraw/zinc/18/16/08/1090181608.db2.gz QRJHWYQVWMVAOL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485476291 1090181612 /nfs/dbraw/zinc/18/16/12/1090181612.db2.gz QRJHWYQVWMVAOL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485476291 1090181615 /nfs/dbraw/zinc/18/16/15/1090181615.db2.gz QRJHWYQVWMVAOL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)Cc1cccc(NCCn2cc[nH+]c2C)c1F ZINC001163932740 1090291141 /nfs/dbraw/zinc/29/11/41/1090291141.db2.gz BFKNQVCLMXFAKM-UHFFFAOYSA-N 2 1 304.413 3.285 20 0 DGADMP COc1cc2[nH+]ccn2cc1NCc1cccc(C[NH+](C)C)c1 ZINC001163998236 1090312111 /nfs/dbraw/zinc/31/21/11/1090312111.db2.gz AVKUHNOTMUYCHP-UHFFFAOYSA-N 2 1 310.401 3.017 20 0 DGADMP C[NH+](C)C1(CNc2ccc(-c3ccccc3)nc2)CC[NH+](C)CC1 ZINC001164213415 1090374062 /nfs/dbraw/zinc/37/40/62/1090374062.db2.gz VAEQEBQJCRIUTQ-UHFFFAOYSA-N 2 1 324.472 3.187 20 0 DGADMP [NH3+]CC1(c2ccccc2)CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001164438718 1090423811 /nfs/dbraw/zinc/42/38/11/1090423811.db2.gz CAILPMADIOLYGD-UHFFFAOYSA-N 2 1 307.441 3.456 20 0 DGADMP Cc1cnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC001165083104 1090461838 /nfs/dbraw/zinc/46/18/38/1090461838.db2.gz VQOUZRXWNULXAN-RTBURBONSA-N 2 1 307.441 3.409 20 0 DGADMP COc1ccc2c(C)cc(N3CCC4(CC([NH3+])C4)CC3)[nH+]c2c1 ZINC001165243587 1090487364 /nfs/dbraw/zinc/48/73/64/1090487364.db2.gz NESUDEPGQZZSDU-UHFFFAOYSA-N 2 1 311.429 3.260 20 0 DGADMP C[NH+]1CCCC[C@@H]1c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)nc1 ZINC001165272953 1090493970 /nfs/dbraw/zinc/49/39/70/1090493970.db2.gz NIEFDJYRUXZRPP-FUHWJXTLSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@@H](CCNc2ccc([C@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001165272953 1090493972 /nfs/dbraw/zinc/49/39/72/1090493972.db2.gz NIEFDJYRUXZRPP-FUHWJXTLSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@@H](CCNc2ccc([C@H]3CCCC[N@H+]3C)cn2)C1 ZINC001165272953 1090493974 /nfs/dbraw/zinc/49/39/74/1090493974.db2.gz NIEFDJYRUXZRPP-FUHWJXTLSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+](C)Cc1c(F)cc(NCC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC001165300055 1090499265 /nfs/dbraw/zinc/49/92/65/1090499265.db2.gz GBBAELVXJGZLLV-ZDUSSCGKSA-N 2 1 311.420 3.170 20 0 DGADMP C[NH+](C)Cc1c(F)cc(NCC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC001165300055 1090499271 /nfs/dbraw/zinc/49/92/71/1090499271.db2.gz GBBAELVXJGZLLV-ZDUSSCGKSA-N 2 1 311.420 3.170 20 0 DGADMP Cc1cc2cc[nH+]c(NCC3C[NH+](Cc4ccccc4)C3)c2[nH]1 ZINC001165426859 1090520536 /nfs/dbraw/zinc/52/05/36/1090520536.db2.gz FLPYZHGWYWNHFV-UHFFFAOYSA-N 2 1 306.413 3.415 20 0 DGADMP FC(F)Oc1cc[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC001165486341 1090524857 /nfs/dbraw/zinc/52/48/57/1090524857.db2.gz MCCMHVIAVOUVCZ-UHFFFAOYSA-N 2 1 319.355 3.227 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531841 1090627365 /nfs/dbraw/zinc/62/73/65/1090627365.db2.gz JWQJJQKBHDIDLC-UXHICEINSA-N 3 1 315.505 3.113 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206717275 1090648519 /nfs/dbraw/zinc/64/85/19/1090648519.db2.gz FZYWFAMTWJSVPL-SFHVURJKSA-N 2 1 320.452 3.293 20 0 DGADMP COc1cccc2[nH]cc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)c21 ZINC001276408493 1090713035 /nfs/dbraw/zinc/71/30/35/1090713035.db2.gz KVXLSVRHVLCIPI-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001203479448 1090741078 /nfs/dbraw/zinc/74/10/78/1090741078.db2.gz VIWFIWKGUZVULR-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP Oc1cncc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001276411577 1090741842 /nfs/dbraw/zinc/74/18/42/1090741842.db2.gz LXABXVMDDNMBAW-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(C)c1 ZINC001203745312 1090795136 /nfs/dbraw/zinc/79/51/36/1090795136.db2.gz WMNDEBUGEACKJJ-UHFFFAOYSA-N 2 1 315.461 3.242 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3cc(C)ccc3C)CC2)CC1 ZINC001203751699 1090795933 /nfs/dbraw/zinc/79/59/33/1090795933.db2.gz KUKNAHKWTINBDF-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP C[N@H+]1CCc2ncc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2C1 ZINC001203773636 1090801922 /nfs/dbraw/zinc/80/19/22/1090801922.db2.gz NVPMLAKQSSSLEH-UHFFFAOYSA-N 2 1 322.456 3.409 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853052 1090820442 /nfs/dbraw/zinc/82/04/42/1090820442.db2.gz LYJAQQWCVSVSSZ-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001203956462 1090850609 /nfs/dbraw/zinc/85/06/09/1090850609.db2.gz YXAHRZRJNMOJIH-WOJBJXKFSA-N 2 1 322.452 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001204057601 1090885375 /nfs/dbraw/zinc/88/53/75/1090885375.db2.gz ZLLJZOFROWTONG-UHFFFAOYSA-N 2 1 304.434 3.112 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001204057601 1090885382 /nfs/dbraw/zinc/88/53/82/1090885382.db2.gz ZLLJZOFROWTONG-UHFFFAOYSA-N 2 1 304.434 3.112 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccnc2)CC3)co1 ZINC001204073459 1090891816 /nfs/dbraw/zinc/89/18/16/1090891816.db2.gz OPIQMZJDCPNGJS-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP Oc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097191 1090902031 /nfs/dbraw/zinc/90/20/31/1090902031.db2.gz SUBOWBCJNURKRI-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097191 1090902035 /nfs/dbraw/zinc/90/20/35/1090902035.db2.gz SUBOWBCJNURKRI-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097191 1090902039 /nfs/dbraw/zinc/90/20/39/1090902039.db2.gz SUBOWBCJNURKRI-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097191 1090902041 /nfs/dbraw/zinc/90/20/41/1090902041.db2.gz SUBOWBCJNURKRI-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097191 1090902044 /nfs/dbraw/zinc/90/20/44/1090902044.db2.gz SUBOWBCJNURKRI-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP CSc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001204146660 1090908322 /nfs/dbraw/zinc/90/83/22/1090908322.db2.gz PSAUJUZNZQLEHN-UHFFFAOYSA-N 2 1 313.470 3.434 20 0 DGADMP CCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204175762 1090913867 /nfs/dbraw/zinc/91/38/67/1090913867.db2.gz JLXOKYHIARKYNM-BGYRXZFFSA-N 2 1 321.468 3.208 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001204264057 1090936494 /nfs/dbraw/zinc/93/64/94/1090936494.db2.gz RAQFWCAMLNLLCD-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1 ZINC001204269785 1090937454 /nfs/dbraw/zinc/93/74/54/1090937454.db2.gz JURAMYFAZFGLHG-QGZVFWFLSA-N 2 1 304.478 3.495 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3occc3C2)cc1 ZINC001204269612 1090937519 /nfs/dbraw/zinc/93/75/19/1090937519.db2.gz HLEQLTXELASGDH-UHFFFAOYSA-N 2 1 314.429 3.168 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3occc3C2)cc1 ZINC001204269612 1090937521 /nfs/dbraw/zinc/93/75/21/1090937521.db2.gz HLEQLTXELASGDH-UHFFFAOYSA-N 2 1 314.429 3.168 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]2C1 ZINC001204479687 1090979517 /nfs/dbraw/zinc/97/95/17/1090979517.db2.gz DLPFPNFBFADJLM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]2C1 ZINC001204479687 1090979523 /nfs/dbraw/zinc/97/95/23/1090979523.db2.gz DLPFPNFBFADJLM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]2C1 ZINC001204479687 1090979526 /nfs/dbraw/zinc/97/95/26/1090979526.db2.gz DLPFPNFBFADJLM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]2C1 ZINC001204479687 1090979528 /nfs/dbraw/zinc/97/95/28/1090979528.db2.gz DLPFPNFBFADJLM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204735398 1091025050 /nfs/dbraw/zinc/02/50/50/1091025050.db2.gz SPDFFSGLKUQUMT-UHFFFAOYSA-N 2 1 310.388 3.254 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)cc2)c1 ZINC001204755675 1091030361 /nfs/dbraw/zinc/03/03/61/1091030361.db2.gz HIYYVLMBCYEZDB-FQEVSTJZSA-N 2 1 310.441 3.212 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CCO1 ZINC001204757209 1091031451 /nfs/dbraw/zinc/03/14/51/1091031451.db2.gz WNOFMZBGPLZDLA-GOSISDBHSA-N 2 1 314.404 3.042 20 0 DGADMP CC[N@@H+](CC1(C)CC[NH2+]CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC001204869998 1091051648 /nfs/dbraw/zinc/05/16/48/1091051648.db2.gz LHRCTZBQBUUJOX-MRXNPFEDSA-N 2 1 304.478 3.338 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc(C)c3C)CC2)CC1 ZINC001205096194 1091100771 /nfs/dbraw/zinc/10/07/71/1091100771.db2.gz WGAOIIZFWPLPCW-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102393 1091102655 /nfs/dbraw/zinc/10/26/55/1091102655.db2.gz RGHYARDVVYWYHJ-HNNXBMFYSA-N 2 1 301.459 3.432 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102394 1091102720 /nfs/dbraw/zinc/10/27/20/1091102720.db2.gz RGHYARDVVYWYHJ-OAHLLOKOSA-N 2 1 301.459 3.432 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001205109296 1091104597 /nfs/dbraw/zinc/10/45/97/1091104597.db2.gz DPFNVHRVQFWGDL-OAHLLOKOSA-N 2 1 316.836 3.110 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205130927 1091109312 /nfs/dbraw/zinc/10/93/12/1091109312.db2.gz QEOUSGAXYZUGJU-GXTWGEPZSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001205164724 1091116650 /nfs/dbraw/zinc/11/66/50/1091116650.db2.gz QIPZQXHUTATSOU-KRWDZBQOSA-N 2 1 321.468 3.216 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001138375397 1091157185 /nfs/dbraw/zinc/15/71/85/1091157185.db2.gz LAAABVORYPDNST-MRXNPFEDSA-N 2 1 316.376 3.191 20 0 DGADMP COc1ccc(F)cc1CN1CC[C@@H](Oc2ccncc2C)C1 ZINC001138375397 1091157189 /nfs/dbraw/zinc/15/71/89/1091157189.db2.gz LAAABVORYPDNST-MRXNPFEDSA-N 2 1 316.376 3.191 20 0 DGADMP COc1ccc(F)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001138373643 1091158189 /nfs/dbraw/zinc/15/81/89/1091158189.db2.gz LWVZXVRIRBHXLO-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(OCC)c1 ZINC001205274400 1091160684 /nfs/dbraw/zinc/16/06/84/1091160684.db2.gz XCDMYCIIFXCZHE-GOSISDBHSA-N 2 1 306.450 3.187 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OCC)c1 ZINC001205274400 1091160690 /nfs/dbraw/zinc/16/06/90/1091160690.db2.gz XCDMYCIIFXCZHE-GOSISDBHSA-N 2 1 306.450 3.187 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205297082 1091170651 /nfs/dbraw/zinc/17/06/51/1091170651.db2.gz YPVCHWCCNHENMJ-OCCSQVGLSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)C[C@@H]1C[NH3+] ZINC001205303452 1091172910 /nfs/dbraw/zinc/17/29/10/1091172910.db2.gz FVKSFBXKXQZIMT-BBRMVZONSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H]1C[NH3+] ZINC001205303428 1091173731 /nfs/dbraw/zinc/17/37/31/1091173731.db2.gz FLMDVSXQWXQQRO-PBHICJAKSA-N 2 1 302.462 3.207 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304311 1091174834 /nfs/dbraw/zinc/17/48/34/1091174834.db2.gz NPMMSQJYFOXQGH-WBVHZDCISA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304311 1091174842 /nfs/dbraw/zinc/17/48/42/1091174842.db2.gz NPMMSQJYFOXQGH-WBVHZDCISA-N 2 1 311.429 3.291 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304308 1091174930 /nfs/dbraw/zinc/17/49/30/1091174930.db2.gz NPMMSQJYFOXQGH-DOTOQJQBSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304308 1091174940 /nfs/dbraw/zinc/17/49/40/1091174940.db2.gz NPMMSQJYFOXQGH-DOTOQJQBSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205303668 1091175342 /nfs/dbraw/zinc/17/53/42/1091175342.db2.gz JHTJCRDSURANLI-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205303668 1091175344 /nfs/dbraw/zinc/17/53/44/1091175344.db2.gz JHTJCRDSURANLI-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC001205306761 1091176671 /nfs/dbraw/zinc/17/66/71/1091176671.db2.gz ZQNOFXITHDFBJZ-WMZOPIPTSA-N 2 1 301.478 3.094 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205306771 1091177141 /nfs/dbraw/zinc/17/71/41/1091177141.db2.gz ZTPLXZZVOOLZHD-RISCZKNCSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC001205316436 1091180277 /nfs/dbraw/zinc/18/02/77/1091180277.db2.gz IXIMFICMZPNEHV-KSSFIOAISA-N 2 1 313.420 3.304 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001205325138 1091185614 /nfs/dbraw/zinc/18/56/14/1091185614.db2.gz JZLLUESCDNQFPB-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC001138510341 1091209933 /nfs/dbraw/zinc/20/99/33/1091209933.db2.gz YFTUTXUQNCCGHO-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)cc1 ZINC001138544526 1091222320 /nfs/dbraw/zinc/22/23/20/1091222320.db2.gz KUJGHEPPLDWLDY-IBGZPJMESA-N 2 1 311.429 3.326 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1 ZINC001138544526 1091222328 /nfs/dbraw/zinc/22/23/28/1091222328.db2.gz KUJGHEPPLDWLDY-IBGZPJMESA-N 2 1 311.429 3.326 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC001138543841 1091222973 /nfs/dbraw/zinc/22/29/73/1091222973.db2.gz WQTYUQXTVFDRMC-UHFFFAOYSA-N 2 1 321.424 3.175 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC001138543841 1091222983 /nfs/dbraw/zinc/22/29/83/1091222983.db2.gz WQTYUQXTVFDRMC-UHFFFAOYSA-N 2 1 321.424 3.175 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc1 ZINC001138544286 1091223020 /nfs/dbraw/zinc/22/30/20/1091223020.db2.gz FVWLTXRCBZDEGX-HNAYVOBHSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc1 ZINC001138544286 1091223027 /nfs/dbraw/zinc/22/30/27/1091223027.db2.gz FVWLTXRCBZDEGX-HNAYVOBHSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc1 ZINC001138544286 1091223037 /nfs/dbraw/zinc/22/30/37/1091223037.db2.gz FVWLTXRCBZDEGX-HNAYVOBHSA-N 2 1 313.445 3.164 20 0 DGADMP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000709597362 1091225116 /nfs/dbraw/zinc/22/51/16/1091225116.db2.gz RVPMXNZFMUBKJD-ZDUSSCGKSA-N 2 1 304.381 3.168 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001138579783 1091241252 /nfs/dbraw/zinc/24/12/52/1091241252.db2.gz VLXWRSWPOUDQMH-UHFFFAOYSA-N 2 1 306.498 3.259 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC001205545217 1091248401 /nfs/dbraw/zinc/24/84/01/1091248401.db2.gz AQUSXQLQVJAFGX-HNNXBMFYSA-N 2 1 302.796 3.175 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001205558211 1091252954 /nfs/dbraw/zinc/25/29/54/1091252954.db2.gz CVDVMHNSXBILSA-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001205558211 1091252958 /nfs/dbraw/zinc/25/29/58/1091252958.db2.gz CVDVMHNSXBILSA-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC001205558821 1091254237 /nfs/dbraw/zinc/25/42/37/1091254237.db2.gz JEJKUBTZSSTRMD-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC001205558821 1091254246 /nfs/dbraw/zinc/25/42/46/1091254246.db2.gz JEJKUBTZSSTRMD-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001205559453 1091254325 /nfs/dbraw/zinc/25/43/25/1091254325.db2.gz RASYAYLJCNAQAZ-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001205559453 1091254334 /nfs/dbraw/zinc/25/43/34/1091254334.db2.gz RASYAYLJCNAQAZ-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)ccc2n1 ZINC001205570566 1091259563 /nfs/dbraw/zinc/25/95/63/1091259563.db2.gz LXQZNBBCHOUZBM-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001205570091 1091259865 /nfs/dbraw/zinc/25/98/65/1091259865.db2.gz FPUVVOIWUFTAJX-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001205570091 1091259871 /nfs/dbraw/zinc/25/98/71/1091259871.db2.gz FPUVVOIWUFTAJX-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205571255 1091260572 /nfs/dbraw/zinc/26/05/72/1091260572.db2.gz SBLHZFOBELUUMB-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001205592287 1091269245 /nfs/dbraw/zinc/26/92/45/1091269245.db2.gz RQFFXSAGFBWBDO-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP CCCn1ncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001138638372 1091271203 /nfs/dbraw/zinc/27/12/03/1091271203.db2.gz PWRPFPOKMNBYNK-IBGZPJMESA-N 2 1 318.509 3.442 20 0 DGADMP CCCn1ncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001138638372 1091271209 /nfs/dbraw/zinc/27/12/09/1091271209.db2.gz PWRPFPOKMNBYNK-IBGZPJMESA-N 2 1 318.509 3.442 20 0 DGADMP CCn1nc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001138644409 1091272905 /nfs/dbraw/zinc/27/29/05/1091272905.db2.gz OITKWPBCUPNGJT-GOSISDBHSA-N 2 1 318.509 3.360 20 0 DGADMP CCn1nc(C)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001138644409 1091272910 /nfs/dbraw/zinc/27/29/10/1091272910.db2.gz OITKWPBCUPNGJT-GOSISDBHSA-N 2 1 318.509 3.360 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205601920 1091274316 /nfs/dbraw/zinc/27/43/16/1091274316.db2.gz GSAZQKYAQGYUDK-OCCSQVGLSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc3cccnc3cc2F)CC[C@H]1C[NH3+] ZINC001205626870 1091285808 /nfs/dbraw/zinc/28/58/08/1091285808.db2.gz JZEFAQJGTMUGOV-HIFRSBDPSA-N 2 1 301.409 3.181 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205627084 1091286210 /nfs/dbraw/zinc/28/62/10/1091286210.db2.gz MKWNWXLQOPVKFA-YOEHRIQHSA-N 2 1 313.445 3.457 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205637528 1091290483 /nfs/dbraw/zinc/29/04/83/1091290483.db2.gz HTMRYRBSQLEXDG-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205637528 1091290489 /nfs/dbraw/zinc/29/04/89/1091290489.db2.gz HTMRYRBSQLEXDG-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccnc3c(F)cccc23)CC[C@H]1C[NH3+] ZINC001205639064 1091292704 /nfs/dbraw/zinc/29/27/04/1091292704.db2.gz VJXOMQOBQAFISY-KBPBESRZSA-N 2 1 301.409 3.181 20 0 DGADMP COc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c2ccccc21 ZINC001205639025 1091293205 /nfs/dbraw/zinc/29/32/05/1091293205.db2.gz UZUMKDVEGBMEAR-GJZGRUSLSA-N 2 1 313.445 3.050 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651375 1091296249 /nfs/dbraw/zinc/29/62/49/1091296249.db2.gz DESGBUSWZJCWNL-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1C[NH3+] ZINC001205651281 1091296616 /nfs/dbraw/zinc/29/66/16/1091296616.db2.gz CEAUGBCCNRKPNK-AAEUAGOBSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C[NH3+] ZINC001205651108 1091297040 /nfs/dbraw/zinc/29/70/40/1091297040.db2.gz AEWJGKXUTDTSJX-ZIAGYGMSSA-N 2 1 301.409 3.181 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1C ZINC001205654545 1091298869 /nfs/dbraw/zinc/29/88/69/1091298869.db2.gz XCUWIBIDEFBLJB-YJBOKZPZSA-N 2 1 319.493 3.376 20 0 DGADMP CCc1cccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC001205677616 1091308769 /nfs/dbraw/zinc/30/87/69/1091308769.db2.gz DGGKHNBUHAEBPA-FQEVSTJZSA-N 2 1 317.521 3.097 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc3[nH]ccc3c2)CC1 ZINC001138739062 1091310000 /nfs/dbraw/zinc/31/00/00/1091310000.db2.gz GHQFYDQULXWKKQ-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP Cc1cccc2c1C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138768875 1091322869 /nfs/dbraw/zinc/32/28/69/1091322869.db2.gz FACNQAKLIUNZMJ-UHFFFAOYSA-N 2 1 310.441 3.451 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2cccc(Cl)c2)CCC1(F)F ZINC001205736471 1091325140 /nfs/dbraw/zinc/32/51/40/1091325140.db2.gz YYAPPNUJXJMVNQ-ZDUSSCGKSA-N 2 1 302.796 3.189 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC001205734311 1091325853 /nfs/dbraw/zinc/32/58/53/1091325853.db2.gz DKHAMDUIDRLTEU-GUTXKFCHSA-N 2 1 314.807 3.359 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC2(c3ccccc3)CCCC2)CCC1(F)F ZINC001205735263 1091326489 /nfs/dbraw/zinc/32/64/89/1091326489.db2.gz LYBAUTCWYHGUFV-MRXNPFEDSA-N 2 1 308.416 3.414 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2c1 ZINC001205764116 1091337571 /nfs/dbraw/zinc/33/75/71/1091337571.db2.gz UBUHCDPEHOKEQQ-INIZCTEOSA-N 2 1 320.383 3.264 20 0 DGADMP COc1ccc2cc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2c1 ZINC001205764116 1091337572 /nfs/dbraw/zinc/33/75/72/1091337572.db2.gz UBUHCDPEHOKEQQ-INIZCTEOSA-N 2 1 320.383 3.264 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c3ccccc23)CCC1(F)F ZINC001205771249 1091340720 /nfs/dbraw/zinc/34/07/20/1091340720.db2.gz SVGMKXSNQWKGDK-CYBMUJFWSA-N 2 1 308.347 3.395 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c3ccccc23)CCC1(F)F ZINC001205771249 1091340732 /nfs/dbraw/zinc/34/07/32/1091340732.db2.gz SVGMKXSNQWKGDK-CYBMUJFWSA-N 2 1 308.347 3.395 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205781369 1091346265 /nfs/dbraw/zinc/34/62/65/1091346265.db2.gz WIZQKRTVLNVPER-CQSZACIVSA-N 2 1 321.371 3.066 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205781369 1091346275 /nfs/dbraw/zinc/34/62/75/1091346275.db2.gz WIZQKRTVLNVPER-CQSZACIVSA-N 2 1 321.371 3.066 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccccc3n2)CC1 ZINC001138866528 1091359655 /nfs/dbraw/zinc/35/96/55/1091359655.db2.gz LAOJBCZMMIPCDU-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4C)C[C@@H]3C2)cc1 ZINC001205843738 1091375591 /nfs/dbraw/zinc/37/55/91/1091375591.db2.gz YEGXLSBFJJRWRU-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4C)C[C@@H]3C2)cc1 ZINC001205843738 1091375598 /nfs/dbraw/zinc/37/55/98/1091375598.db2.gz YEGXLSBFJJRWRU-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4C)C[C@@H]3C2)cc1 ZINC001205843738 1091375607 /nfs/dbraw/zinc/37/56/07/1091375607.db2.gz YEGXLSBFJJRWRU-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4C)C[C@@H]3C2)cc1 ZINC001205843738 1091375617 /nfs/dbraw/zinc/37/56/17/1091375617.db2.gz YEGXLSBFJJRWRU-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP CC(C)Oc1c(F)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC001205058896 1091376733 /nfs/dbraw/zinc/37/67/33/1091376733.db2.gz XQRWLXJRCBVQHD-UHFFFAOYSA-N 2 1 314.832 3.437 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902719 1091398895 /nfs/dbraw/zinc/39/88/95/1091398895.db2.gz LEZWVAHGYNCYOQ-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902719 1091398904 /nfs/dbraw/zinc/39/89/04/1091398904.db2.gz LEZWVAHGYNCYOQ-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@H]2C1 ZINC001138970646 1091399902 /nfs/dbraw/zinc/39/99/02/1091399902.db2.gz UPLNZRGENFULOH-RTBURBONSA-N 2 1 316.489 3.495 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205901028 1091400052 /nfs/dbraw/zinc/40/00/52/1091400052.db2.gz APWULAZDXFETER-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205901028 1091400063 /nfs/dbraw/zinc/40/00/63/1091400063.db2.gz APWULAZDXFETER-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205913246 1091406552 /nfs/dbraw/zinc/40/65/52/1091406552.db2.gz IAAGAHMXKCLUJD-OCCSQVGLSA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205913246 1091406556 /nfs/dbraw/zinc/40/65/56/1091406556.db2.gz IAAGAHMXKCLUJD-OCCSQVGLSA-N 2 1 324.852 3.076 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001205912693 1091406673 /nfs/dbraw/zinc/40/66/73/1091406673.db2.gz BKVFFVTYISGSJW-UKRRQHHQSA-N 2 1 318.852 3.085 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205913245 1091406850 /nfs/dbraw/zinc/40/68/50/1091406850.db2.gz IAAGAHMXKCLUJD-JSGCOSHPSA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205913245 1091406854 /nfs/dbraw/zinc/40/68/54/1091406854.db2.gz IAAGAHMXKCLUJD-JSGCOSHPSA-N 2 1 324.852 3.076 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914103 1091407366 /nfs/dbraw/zinc/40/73/66/1091407366.db2.gz KZNCFTKAJOEFNS-STQMWFEESA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914103 1091407373 /nfs/dbraw/zinc/40/73/73/1091407373.db2.gz KZNCFTKAJOEFNS-STQMWFEESA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205914746 1091408985 /nfs/dbraw/zinc/40/89/85/1091408985.db2.gz NEZCBRSWQBQMGN-HOCLYGCPSA-N 2 1 313.420 3.447 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205916188 1091411145 /nfs/dbraw/zinc/41/11/45/1091411145.db2.gz SOHYEAOYAHALDB-OLZOCXBDSA-N 2 1 316.367 3.453 20 0 DGADMP CCCOc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001139000952 1091413851 /nfs/dbraw/zinc/41/38/51/1091413851.db2.gz VEFHQDIJDHSISY-UHFFFAOYSA-N 2 1 311.429 3.193 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923941 1091415822 /nfs/dbraw/zinc/41/58/22/1091415822.db2.gz QRLLJJNNNMYARJ-QWHCGFSZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923941 1091415828 /nfs/dbraw/zinc/41/58/28/1091415828.db2.gz QRLLJJNNNMYARJ-QWHCGFSZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004382 1091445702 /nfs/dbraw/zinc/44/57/02/1091445702.db2.gz RYTMKJRAXSFTNP-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206012072 1091449724 /nfs/dbraw/zinc/44/97/24/1091449724.db2.gz IRNVFHDGVDNOPE-JKSUJKDBSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206011553 1091449971 /nfs/dbraw/zinc/44/99/71/1091449971.db2.gz DQMLZBIVCKNKCQ-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206014865 1091451916 /nfs/dbraw/zinc/45/19/16/1091451916.db2.gz YHJILIPKLVXENH-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CCC[C@H]1C[NH3+] ZINC001206014982 1091451987 /nfs/dbraw/zinc/45/19/87/1091451987.db2.gz YWNWSKGZXPJTGJ-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206014866 1091452274 /nfs/dbraw/zinc/45/22/74/1091452274.db2.gz YHJILIPKLVXENH-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CCC[C@@H]1C[NH3+] ZINC001206026251 1091457152 /nfs/dbraw/zinc/45/71/52/1091457152.db2.gz RCYWUCOMOGPHCW-NVXWUHKLSA-N 2 1 319.468 3.233 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC001206036485 1091463672 /nfs/dbraw/zinc/46/36/72/1091463672.db2.gz KDGHJIVMWCBVDB-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC001206036485 1091463682 /nfs/dbraw/zinc/46/36/82/1091463682.db2.gz KDGHJIVMWCBVDB-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP F[C@H]1CCCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001206080924 1091483979 /nfs/dbraw/zinc/48/39/79/1091483979.db2.gz JBPYLWFTYVTSKP-INIZCTEOSA-N 2 1 301.409 3.069 20 0 DGADMP COc1ccc2ccccc2c1CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206157151 1091512699 /nfs/dbraw/zinc/51/26/99/1091512699.db2.gz WQSVKERIDHTUOK-IRXDYDNUSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206157151 1091512704 /nfs/dbraw/zinc/51/27/04/1091512704.db2.gz WQSVKERIDHTUOK-IRXDYDNUSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206157151 1091512709 /nfs/dbraw/zinc/51/27/09/1091512709.db2.gz WQSVKERIDHTUOK-IRXDYDNUSA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@@H]1F ZINC001206174007 1091519301 /nfs/dbraw/zinc/51/93/01/1091519301.db2.gz LFNALYMXSDKNBG-LSDHHAIUSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@@H]1F ZINC001206174007 1091519311 /nfs/dbraw/zinc/51/93/11/1091519311.db2.gz LFNALYMXSDKNBG-LSDHHAIUSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206172908 1091520166 /nfs/dbraw/zinc/52/01/66/1091520166.db2.gz CLKZYONYJQNZBY-IAGOWNOFSA-N 2 1 321.827 3.392 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206172908 1091520176 /nfs/dbraw/zinc/52/01/76/1091520176.db2.gz CLKZYONYJQNZBY-IAGOWNOFSA-N 2 1 321.827 3.392 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cccc1C(F)(F)F ZINC001206188181 1091526082 /nfs/dbraw/zinc/52/60/82/1091526082.db2.gz UQRMJJRIDQXHHF-UONOGXRCSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cccc1C(F)(F)F ZINC001206188181 1091526090 /nfs/dbraw/zinc/52/60/90/1091526090.db2.gz UQRMJJRIDQXHHF-UONOGXRCSA-N 2 1 304.331 3.275 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@@H]1F ZINC001206197019 1091531035 /nfs/dbraw/zinc/53/10/35/1091531035.db2.gz FZOJVJSFXMWERU-LSDHHAIUSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@@H]1F ZINC001206197019 1091531040 /nfs/dbraw/zinc/53/10/40/1091531040.db2.gz FZOJVJSFXMWERU-LSDHHAIUSA-N 2 1 307.800 3.149 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-c4cnccn4)cc3)C2)CC1 ZINC001139393181 1091543590 /nfs/dbraw/zinc/54/35/90/1091543590.db2.gz LCIOFELKBJGDSF-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP CCc1cc(N(CC(C)C)CC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001307192724 1091554960 /nfs/dbraw/zinc/55/49/60/1091554960.db2.gz DVBRMQKHBCHOGH-UHFFFAOYSA-N 2 1 304.482 3.152 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2(c3ccccc3)CCOCC2)CC1 ZINC001206296060 1091565042 /nfs/dbraw/zinc/56/50/42/1091565042.db2.gz OZBZBANTDANXFH-IBGZPJMESA-N 2 1 316.489 3.186 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[NH+]1CCCC1 ZINC001206302273 1091566810 /nfs/dbraw/zinc/56/68/10/1091566810.db2.gz GXQVSBVBLAQOQD-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@](C)(C[NH3+])CC1)cn2C ZINC001206304142 1091568510 /nfs/dbraw/zinc/56/85/10/1091568510.db2.gz GNWLXVZKRMFJKE-IBGZPJMESA-N 2 1 315.461 3.138 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001206311146 1091572728 /nfs/dbraw/zinc/57/27/28/1091572728.db2.gz JZOKWJWVLUTQED-GFCCVEGCSA-N 2 1 308.278 3.401 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001206311146 1091572736 /nfs/dbraw/zinc/57/27/36/1091572736.db2.gz JZOKWJWVLUTQED-GFCCVEGCSA-N 2 1 308.278 3.401 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206305209 1091570747 /nfs/dbraw/zinc/57/07/47/1091570747.db2.gz WCQCUQNZTGECMO-IBGZPJMESA-N 2 1 312.461 3.336 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001206310802 1091572703 /nfs/dbraw/zinc/57/27/03/1091572703.db2.gz CLZKCFNWKHMSCX-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206317314 1091575204 /nfs/dbraw/zinc/57/52/04/1091575204.db2.gz FQBZFLGCHYHSMU-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP COCCCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206317617 1091575618 /nfs/dbraw/zinc/57/56/18/1091575618.db2.gz IDAIHNVZGDJLBO-LJQANCHMSA-N 2 1 320.477 3.053 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001206318115 1091576917 /nfs/dbraw/zinc/57/69/17/1091576917.db2.gz MPIPIGMKBBMJKV-LJQANCHMSA-N 2 1 318.461 3.132 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2C(F)(F)F)CC1 ZINC001206318629 1091577465 /nfs/dbraw/zinc/57/74/65/1091577465.db2.gz SCUXKVBKWMNJHQ-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001206326872 1091580564 /nfs/dbraw/zinc/58/05/64/1091580564.db2.gz QACNGTSDRHSULZ-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3ccccn3)n2)CC1 ZINC001206325291 1091582029 /nfs/dbraw/zinc/58/20/29/1091582029.db2.gz HGXUSKJYFRESLI-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc21 ZINC001206336253 1091585752 /nfs/dbraw/zinc/58/57/52/1091585752.db2.gz KHOMGYVGNLUQPD-IBGZPJMESA-N 2 1 301.478 3.020 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2)n1 ZINC001206337907 1091585894 /nfs/dbraw/zinc/58/58/94/1091585894.db2.gz WUETZYCPADZPOO-LJQANCHMSA-N 2 1 312.461 3.038 20 0 DGADMP CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206352567 1091593065 /nfs/dbraw/zinc/59/30/65/1091593065.db2.gz YFVNSRGKWYLRJH-GOSISDBHSA-N 2 1 303.425 3.314 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206352567 1091593071 /nfs/dbraw/zinc/59/30/71/1091593071.db2.gz YFVNSRGKWYLRJH-GOSISDBHSA-N 2 1 303.425 3.314 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C(C)C ZINC001139624121 1091624478 /nfs/dbraw/zinc/62/44/78/1091624478.db2.gz IQNAHLXVWSCOTP-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C(C)C ZINC001139624121 1091624481 /nfs/dbraw/zinc/62/44/81/1091624481.db2.gz IQNAHLXVWSCOTP-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C(C)C ZINC001139624121 1091624499 /nfs/dbraw/zinc/62/44/99/1091624499.db2.gz IQNAHLXVWSCOTP-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C(C)C ZINC001139624121 1091624510 /nfs/dbraw/zinc/62/45/10/1091624510.db2.gz IQNAHLXVWSCOTP-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001206500809 1091651208 /nfs/dbraw/zinc/65/12/08/1091651208.db2.gz RWWNCGNZPQQRPL-UHFFFAOYSA-N 2 1 304.331 3.405 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3cccnc3cc2F)C1 ZINC001206554504 1091667394 /nfs/dbraw/zinc/66/73/94/1091667394.db2.gz DFDSAHWRKKESIC-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206563330 1091670566 /nfs/dbraw/zinc/67/05/66/1091670566.db2.gz CJJBILHWTUADIS-KRWDZBQOSA-N 2 1 324.852 3.078 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206563330 1091670570 /nfs/dbraw/zinc/67/05/70/1091670570.db2.gz CJJBILHWTUADIS-KRWDZBQOSA-N 2 1 324.852 3.078 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC(C)C)c1 ZINC001206573452 1091672952 /nfs/dbraw/zinc/67/29/52/1091672952.db2.gz KXTPIBKRIXUPDX-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC(C)C)c1 ZINC001206573452 1091672957 /nfs/dbraw/zinc/67/29/57/1091672957.db2.gz KXTPIBKRIXUPDX-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC001206572153 1091673668 /nfs/dbraw/zinc/67/36/68/1091673668.db2.gz BPXSLUCSYMIUFO-INIZCTEOSA-N 2 1 316.367 3.378 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC001206572153 1091673675 /nfs/dbraw/zinc/67/36/75/1091673675.db2.gz BPXSLUCSYMIUFO-INIZCTEOSA-N 2 1 316.367 3.378 20 0 DGADMP CC(C)[N@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582789 1091678567 /nfs/dbraw/zinc/67/85/67/1091678567.db2.gz PTTCNUOUOMTAMF-ZDUSSCGKSA-N 2 1 300.368 3.456 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582789 1091678572 /nfs/dbraw/zinc/67/85/72/1091678572.db2.gz PTTCNUOUOMTAMF-ZDUSSCGKSA-N 2 1 300.368 3.456 20 0 DGADMP CCN(CC)c1ncc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)s1 ZINC001206591309 1091680683 /nfs/dbraw/zinc/68/06/83/1091680683.db2.gz REAWPYLEVWVIPK-HNNXBMFYSA-N 2 1 324.538 3.342 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC001206591841 1091681579 /nfs/dbraw/zinc/68/15/79/1091681579.db2.gz WPZUITNODQVXRM-QGZVFWFLSA-N 2 1 305.466 3.221 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C(C)C)[C@H]3CCC[NH2+]CC3)cc21 ZINC001206607375 1091687341 /nfs/dbraw/zinc/68/73/41/1091687341.db2.gz ZSLOVZKTDZTXOP-IBGZPJMESA-N 2 1 315.505 3.422 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC001206615062 1091689808 /nfs/dbraw/zinc/68/98/08/1091689808.db2.gz BFSBRLGUISZOCH-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC001206615062 1091689815 /nfs/dbraw/zinc/68/98/15/1091689815.db2.gz BFSBRLGUISZOCH-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206718824 1091710308 /nfs/dbraw/zinc/71/03/08/1091710308.db2.gz YDLXPCZMEGEQCU-MSOLQXFVSA-N 2 1 317.477 3.110 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCc1cccc(Br)c1 ZINC001206760947 1091728741 /nfs/dbraw/zinc/72/87/41/1091728741.db2.gz PAVWGHNWMUZSBP-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1cccc(Br)c1 ZINC001206760947 1091728749 /nfs/dbraw/zinc/72/87/49/1091728749.db2.gz PAVWGHNWMUZSBP-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768090 1091731747 /nfs/dbraw/zinc/73/17/47/1091731747.db2.gz GZYOMAQLQMVYPV-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768090 1091731751 /nfs/dbraw/zinc/73/17/51/1091731751.db2.gz GZYOMAQLQMVYPV-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC001140023571 1091742444 /nfs/dbraw/zinc/74/24/44/1091742444.db2.gz RFTOKXVZIQPDTL-UHFFFAOYSA-N 2 1 319.408 3.445 20 0 DGADMP Cc1nccn1-c1ccccc1CN1CCc2c(O)cccc2C1 ZINC001140023571 1091742452 /nfs/dbraw/zinc/74/24/52/1091742452.db2.gz RFTOKXVZIQPDTL-UHFFFAOYSA-N 2 1 319.408 3.445 20 0 DGADMP CCCC[NH+]1CCN(Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140028353 1091744323 /nfs/dbraw/zinc/74/43/23/1091744323.db2.gz SGDSTUHTCXNXDN-UHFFFAOYSA-N 2 1 312.461 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001140027832 1091744984 /nfs/dbraw/zinc/74/49/84/1091744984.db2.gz CKAAPVLCEIFQRO-LJQANCHMSA-N 2 1 324.472 3.241 20 0 DGADMP COc1c(Cl)cccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001140062240 1091753816 /nfs/dbraw/zinc/75/38/16/1091753816.db2.gz OXEGXGWJFGXCIG-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]2C1 ZINC001140174017 1091792339 /nfs/dbraw/zinc/79/23/39/1091792339.db2.gz AZBQCXLPCBEFRL-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]2C1 ZINC001140174017 1091792343 /nfs/dbraw/zinc/79/23/43/1091792343.db2.gz AZBQCXLPCBEFRL-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]2C1 ZINC001140174017 1091792349 /nfs/dbraw/zinc/79/23/49/1091792349.db2.gz AZBQCXLPCBEFRL-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1)OCc1ccccc1 ZINC001276511696 1091884415 /nfs/dbraw/zinc/88/44/15/1091884415.db2.gz HGRBHBHNQGSOBR-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1)OCc1ccccc1 ZINC001276511696 1091884420 /nfs/dbraw/zinc/88/44/20/1091884420.db2.gz HGRBHBHNQGSOBR-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC001276511696 1091884431 /nfs/dbraw/zinc/88/44/31/1091884431.db2.gz HGRBHBHNQGSOBR-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001207285430 1091909632 /nfs/dbraw/zinc/90/96/32/1091909632.db2.gz KHOWWHZNWOAISE-INIZCTEOSA-N 2 1 307.507 3.226 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001207285430 1091909638 /nfs/dbraw/zinc/90/96/38/1091909638.db2.gz KHOWWHZNWOAISE-INIZCTEOSA-N 2 1 307.507 3.226 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC001207292108 1091914246 /nfs/dbraw/zinc/91/42/46/1091914246.db2.gz JMTOOZYSEUSNSC-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP F[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001207289321 1091914433 /nfs/dbraw/zinc/91/44/33/1091914433.db2.gz KQDKHWWRLJRGGO-GBESFXJTSA-N 2 1 302.437 3.188 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC001207295629 1091915367 /nfs/dbraw/zinc/91/53/67/1091915367.db2.gz WYHAZGXFJVRIRA-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC001207399795 1091955538 /nfs/dbraw/zinc/95/55/38/1091955538.db2.gz SVSYBHBFVGBRAH-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP C[N@H+](Cc1cc(F)c(Cl)cc1F)CC1CC[NH+](C)CC1 ZINC001140701426 1091963821 /nfs/dbraw/zinc/96/38/21/1091963821.db2.gz MFCMBHHVLGIKKS-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706577 1091966808 /nfs/dbraw/zinc/96/68/08/1091966808.db2.gz UKDMRYHQAJWGJN-DFQSSKMNSA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706577 1091966817 /nfs/dbraw/zinc/96/68/17/1091966817.db2.gz UKDMRYHQAJWGJN-DFQSSKMNSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706577 1091966824 /nfs/dbraw/zinc/96/68/24/1091966824.db2.gz UKDMRYHQAJWGJN-DFQSSKMNSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706577 1091966829 /nfs/dbraw/zinc/96/68/29/1091966829.db2.gz UKDMRYHQAJWGJN-DFQSSKMNSA-N 2 1 324.472 3.142 20 0 DGADMP CN1CCC([N@@H+](Cc2cc[nH]c2)Cc2ccc(F)cc2)CC1 ZINC001140710394 1091968653 /nfs/dbraw/zinc/96/86/53/1091968653.db2.gz HLXWASKGNMYJMP-UHFFFAOYSA-N 2 1 301.409 3.250 20 0 DGADMP Clc1ccc(CO[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207438072 1091968617 /nfs/dbraw/zinc/96/86/17/1091968617.db2.gz VBAXLOFZNCEHHX-SFHVURJKSA-N 2 1 322.880 3.321 20 0 DGADMP Clc1cccc([C@@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207438673 1091969451 /nfs/dbraw/zinc/96/94/51/1091969451.db2.gz DPSKTWAHALKEDZ-INIZCTEOSA-N 2 1 310.894 3.430 20 0 DGADMP COc1ccc(CC[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001207476114 1091981589 /nfs/dbraw/zinc/98/15/89/1091981589.db2.gz RUMVDVRCOWAXGZ-UHFFFAOYSA-N 2 1 304.478 3.290 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001207484471 1091984169 /nfs/dbraw/zinc/98/41/69/1091984169.db2.gz LQYUTZNHFVWQGN-MRXNPFEDSA-N 2 1 324.415 3.150 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487851 1091984320 /nfs/dbraw/zinc/98/43/20/1091984320.db2.gz UYJQRGAGYMJWAE-INIZCTEOSA-N 2 1 304.478 3.290 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001207486313 1091984671 /nfs/dbraw/zinc/98/46/71/1091984671.db2.gz GFKKXJGMPQTPIY-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001207678154 1092067688 /nfs/dbraw/zinc/06/76/88/1092067688.db2.gz FWJSLOLLCVPTJG-KRWDZBQOSA-N 2 1 310.526 3.372 20 0 DGADMP c1csc(CN2C[C@@H]3C[N@@H+](CC4CCSCC4)C[C@@H]3C2)c1 ZINC001207706909 1092073371 /nfs/dbraw/zinc/07/33/71/1092073371.db2.gz FUBRTASWRIHCSM-IYBDPMFKSA-N 2 1 322.543 3.255 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CC4CCSCC4)C[C@H]3C2)c1 ZINC001207706909 1092073379 /nfs/dbraw/zinc/07/33/79/1092073379.db2.gz FUBRTASWRIHCSM-IYBDPMFKSA-N 2 1 322.543 3.255 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CC4CCSCC4)C[C@H]3C2)c1 ZINC001207706909 1092073388 /nfs/dbraw/zinc/07/33/88/1092073388.db2.gz FUBRTASWRIHCSM-IYBDPMFKSA-N 2 1 322.543 3.255 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CC4CCSCC4)C[C@H]3C2)c1 ZINC001207706909 1092073397 /nfs/dbraw/zinc/07/33/97/1092073397.db2.gz FUBRTASWRIHCSM-IYBDPMFKSA-N 2 1 322.543 3.255 20 0 DGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CC4CCSCC4)C[C@H]3C2)c1 ZINC001207706909 1092073406 /nfs/dbraw/zinc/07/34/06/1092073406.db2.gz FUBRTASWRIHCSM-IYBDPMFKSA-N 2 1 322.543 3.255 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCSCC4)C[C@H]3C2)cc1 ZINC001207751991 1092089664 /nfs/dbraw/zinc/08/96/64/1092089664.db2.gz TWLKIUHOISZCAT-KDURUIRLSA-N 2 1 316.514 3.193 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCSCC4)C[C@H]3C2)cc1 ZINC001207751991 1092089674 /nfs/dbraw/zinc/08/96/74/1092089674.db2.gz TWLKIUHOISZCAT-KDURUIRLSA-N 2 1 316.514 3.193 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCSCC4)C[C@H]3C2)cc1 ZINC001207751991 1092089681 /nfs/dbraw/zinc/08/96/81/1092089681.db2.gz TWLKIUHOISZCAT-KDURUIRLSA-N 2 1 316.514 3.193 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H](OC(C)(C)C)C34CCC4)[C@@H]2C1 ZINC001207837882 1092113112 /nfs/dbraw/zinc/11/31/12/1092113112.db2.gz VCOQVENBIDGAMK-NNXHMXCWSA-N 2 1 306.494 3.043 20 0 DGADMP Cc1ccncc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001141033591 1092113364 /nfs/dbraw/zinc/11/33/64/1092113364.db2.gz XDGLONCUHDESMZ-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP Cc1ccncc1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001141033591 1092113374 /nfs/dbraw/zinc/11/33/74/1092113374.db2.gz XDGLONCUHDESMZ-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP CCCCc1ncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)[nH]1 ZINC001141071352 1092128712 /nfs/dbraw/zinc/12/87/12/1092128712.db2.gz LCQVPVILHYDBDG-UHFFFAOYSA-N 2 1 304.482 3.060 20 0 DGADMP COc1ccc2nccc(C[N@@H+](C)CC3CC[NH+](C)CC3)c2c1 ZINC001141149037 1092151902 /nfs/dbraw/zinc/15/19/02/1092151902.db2.gz CQVOMWSAHKSEGS-UHFFFAOYSA-N 2 1 313.445 3.017 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCCCO2)CC1 ZINC001207956376 1092157387 /nfs/dbraw/zinc/15/73/87/1092157387.db2.gz KILVGUHLSPUYFA-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207956376 1092157391 /nfs/dbraw/zinc/15/73/91/1092157391.db2.gz KILVGUHLSPUYFA-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CCc1ccccc1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001141227973 1092185589 /nfs/dbraw/zinc/18/55/89/1092185589.db2.gz VPWSPERFEBPWBA-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP CCc1ccccc1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001141227973 1092185594 /nfs/dbraw/zinc/18/55/94/1092185594.db2.gz VPWSPERFEBPWBA-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP C[N@@H+](CCOc1ccccc1)Cc1cccc(-n2ccnc2)c1 ZINC001141241028 1092190391 /nfs/dbraw/zinc/19/03/91/1092190391.db2.gz BEENSPFECUFGPZ-UHFFFAOYSA-N 2 1 307.397 3.383 20 0 DGADMP C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000088688660 1092197226 /nfs/dbraw/zinc/19/72/26/1092197226.db2.gz ZYWCKGLVCPKESK-MDZRGWNJSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000088688660 1092197231 /nfs/dbraw/zinc/19/72/31/1092197231.db2.gz ZYWCKGLVCPKESK-MDZRGWNJSA-N 2 1 302.462 3.186 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001208113711 1092201971 /nfs/dbraw/zinc/20/19/71/1092201971.db2.gz LUMZSYIXEBKOBS-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC001208115170 1092203635 /nfs/dbraw/zinc/20/36/35/1092203635.db2.gz GCQDCDYMRLAMQJ-FUHWJXTLSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001208119063 1092206140 /nfs/dbraw/zinc/20/61/40/1092206140.db2.gz WGEBQYAAIMJXES-UHFFFAOYSA-N 2 1 317.383 3.033 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)c1 ZINC001208187670 1092247921 /nfs/dbraw/zinc/24/79/21/1092247921.db2.gz NLTPPFOOZMSWKN-UHFFFAOYSA-N 2 1 318.461 3.027 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)c1 ZINC001208187670 1092247930 /nfs/dbraw/zinc/24/79/30/1092247930.db2.gz NLTPPFOOZMSWKN-UHFFFAOYSA-N 2 1 318.461 3.027 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CCCC1 ZINC001208188767 1092252876 /nfs/dbraw/zinc/25/28/76/1092252876.db2.gz NJGVLPDVTVRWRC-SFHVURJKSA-N 2 1 320.452 3.401 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)CCCC1 ZINC001208189208 1092253377 /nfs/dbraw/zinc/25/33/77/1092253377.db2.gz RZHHFQUVJPUQGX-GOSISDBHSA-N 2 1 317.477 3.047 20 0 DGADMP CN1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590628 1092286080 /nfs/dbraw/zinc/28/60/80/1092286080.db2.gz HQJHPMGXNGRCEL-SJCJKPOMSA-N 2 1 303.837 3.347 20 0 DGADMP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590628 1092286094 /nfs/dbraw/zinc/28/60/94/1092286094.db2.gz HQJHPMGXNGRCEL-SJCJKPOMSA-N 2 1 303.837 3.347 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C2)CC1 ZINC001141650804 1092310988 /nfs/dbraw/zinc/31/09/88/1092310988.db2.gz IWFPVINDYKWNLV-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453085 1092357163 /nfs/dbraw/zinc/35/71/63/1092357163.db2.gz AHGPPKVPFOZUGN-IBSYWUHOSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c1OCO2 ZINC001141958467 1092370277 /nfs/dbraw/zinc/37/02/77/1092370277.db2.gz GQRPNFHBBYOOIP-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c1OCO2 ZINC001141958467 1092370287 /nfs/dbraw/zinc/37/02/87/1092370287.db2.gz GQRPNFHBBYOOIP-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC001141958467 1092370296 /nfs/dbraw/zinc/37/02/96/1092370296.db2.gz GQRPNFHBBYOOIP-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2c1OCO2 ZINC001141958467 1092370306 /nfs/dbraw/zinc/37/03/06/1092370306.db2.gz GQRPNFHBBYOOIP-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141994622 1092381054 /nfs/dbraw/zinc/38/10/54/1092381054.db2.gz SOHNFNVLCFHIJR-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC(C)(C)CO2)cc1 ZINC001168836178 1092390330 /nfs/dbraw/zinc/39/03/30/1092390330.db2.gz AYADFJUGCLIQMI-GOSISDBHSA-N 2 1 304.478 3.385 20 0 DGADMP CCN(CCC[NH+](C)C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208592671 1092417318 /nfs/dbraw/zinc/41/73/18/1092417318.db2.gz XYWVDKZQKYAZSS-FQEVSTJZSA-N 2 1 317.521 3.315 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001208599419 1092419961 /nfs/dbraw/zinc/41/99/61/1092419961.db2.gz HKAAKFHNEXVICG-GOSISDBHSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001208600367 1092419988 /nfs/dbraw/zinc/41/99/88/1092419988.db2.gz PNUDBXBJQCHFHS-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC001208597540 1092420392 /nfs/dbraw/zinc/42/03/92/1092420392.db2.gz IZZVYHQBGOTSNJ-GOSISDBHSA-N 2 1 315.505 3.097 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208609720 1092423964 /nfs/dbraw/zinc/42/39/64/1092423964.db2.gz WRVSYAAFMRUVIQ-IEBWSBKVSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609720 1092423975 /nfs/dbraw/zinc/42/39/75/1092423975.db2.gz WRVSYAAFMRUVIQ-IEBWSBKVSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609720 1092423984 /nfs/dbraw/zinc/42/39/84/1092423984.db2.gz WRVSYAAFMRUVIQ-IEBWSBKVSA-N 2 1 302.462 3.180 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)ccc(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001205994804 1092426020 /nfs/dbraw/zinc/42/60/20/1092426020.db2.gz MLLVRERFAVRKNI-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208606964 1092425990 /nfs/dbraw/zinc/42/59/90/1092425990.db2.gz KAWZCCJKDDVVAQ-CRAIPNDOSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208606964 1092425997 /nfs/dbraw/zinc/42/59/97/1092425997.db2.gz KAWZCCJKDDVVAQ-CRAIPNDOSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208606964 1092425999 /nfs/dbraw/zinc/42/59/99/1092425999.db2.gz KAWZCCJKDDVVAQ-CRAIPNDOSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208606964 1092426005 /nfs/dbraw/zinc/42/60/05/1092426005.db2.gz KAWZCCJKDDVVAQ-CRAIPNDOSA-N 2 1 320.502 3.127 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Cc3cccc(F)c3)CC2)C1 ZINC001208615077 1092427176 /nfs/dbraw/zinc/42/71/76/1092427176.db2.gz HJUHLZUTMVKGFG-GOSISDBHSA-N 2 1 304.453 3.422 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1 ZINC001208618813 1092431099 /nfs/dbraw/zinc/43/10/99/1092431099.db2.gz SJDXFGAQYAQCKC-AEFFLSMTSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208618813 1092431103 /nfs/dbraw/zinc/43/11/03/1092431103.db2.gz SJDXFGAQYAQCKC-AEFFLSMTSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208618813 1092431107 /nfs/dbraw/zinc/43/11/07/1092431107.db2.gz SJDXFGAQYAQCKC-AEFFLSMTSA-N 2 1 302.462 3.216 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCC1CCCC1)C2 ZINC001208694056 1092458813 /nfs/dbraw/zinc/45/88/13/1092458813.db2.gz WARYSRCMZBCQMD-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCC1CCCC1)C2 ZINC001208694056 1092458818 /nfs/dbraw/zinc/45/88/18/1092458818.db2.gz WARYSRCMZBCQMD-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCC1CCCC1)C2 ZINC001208694056 1092458824 /nfs/dbraw/zinc/45/88/24/1092458824.db2.gz WARYSRCMZBCQMD-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP CC/C=C\CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001208727933 1092475716 /nfs/dbraw/zinc/47/57/16/1092475716.db2.gz WLDQWSRKCXTMAM-LSLCWXNRSA-N 2 1 306.494 3.023 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001208727933 1092475728 /nfs/dbraw/zinc/47/57/28/1092475728.db2.gz WLDQWSRKCXTMAM-LSLCWXNRSA-N 2 1 306.494 3.023 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001208727933 1092475729 /nfs/dbraw/zinc/47/57/29/1092475729.db2.gz WLDQWSRKCXTMAM-LSLCWXNRSA-N 2 1 306.494 3.023 20 0 DGADMP CCCC[NH+](CCCC)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099777 1092528876 /nfs/dbraw/zinc/52/88/76/1092528876.db2.gz VNNQPIAFNFDUBK-REPLKXPHSA-N 2 1 309.542 3.494 20 0 DGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099777 1092528880 /nfs/dbraw/zinc/52/88/80/1092528880.db2.gz VNNQPIAFNFDUBK-REPLKXPHSA-N 3 1 309.542 3.494 20 0 DGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099777 1092528888 /nfs/dbraw/zinc/52/88/88/1092528888.db2.gz VNNQPIAFNFDUBK-REPLKXPHSA-N 3 1 309.542 3.494 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC001169081524 1092536358 /nfs/dbraw/zinc/53/63/58/1092536358.db2.gz SHQNGNDJSDURQF-ZSBIGDGJSA-N 2 1 315.280 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC001169081524 1092536367 /nfs/dbraw/zinc/53/63/67/1092536367.db2.gz SHQNGNDJSDURQF-ZSBIGDGJSA-N 2 1 315.280 3.225 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169122945 1092544868 /nfs/dbraw/zinc/54/48/68/1092544868.db2.gz GJOQRDQFEBFOKM-OAFZBRQQSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1C1CC[NH2+]CC1)C2 ZINC001169126152 1092548260 /nfs/dbraw/zinc/54/82/60/1092548260.db2.gz QIFBPBPECHVNDF-FVQHAEBGSA-N 2 1 324.472 3.301 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001169142614 1092558046 /nfs/dbraw/zinc/55/80/46/1092558046.db2.gz DLOHZIUIUZMIMQ-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001169142614 1092558057 /nfs/dbraw/zinc/55/80/57/1092558057.db2.gz DLOHZIUIUZMIMQ-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001169142614 1092558074 /nfs/dbraw/zinc/55/80/74/1092558074.db2.gz DLOHZIUIUZMIMQ-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP Cc1ccccc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142338 1092558400 /nfs/dbraw/zinc/55/84/00/1092558400.db2.gz TUSFDPUZQQAWFE-MLHJIOFPSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142338 1092558431 /nfs/dbraw/zinc/55/84/31/1092558431.db2.gz TUSFDPUZQQAWFE-MLHJIOFPSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142338 1092558435 /nfs/dbraw/zinc/55/84/35/1092558435.db2.gz TUSFDPUZQQAWFE-MLHJIOFPSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC001169144083 1092561885 /nfs/dbraw/zinc/56/18/85/1092561885.db2.gz IGPDIUUVKDQDCU-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC001169144083 1092561896 /nfs/dbraw/zinc/56/18/96/1092561896.db2.gz IGPDIUUVKDQDCU-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccnc3c(F)cccc13)CC2 ZINC001276597066 1092567367 /nfs/dbraw/zinc/56/73/67/1092567367.db2.gz FJIZPRITAZZKQB-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1[nH]c2ccc(F)cc2c1C ZINC001276598302 1092583318 /nfs/dbraw/zinc/58/33/18/1092583318.db2.gz XQYHBSVEJCHBAV-GOOCMWNKSA-N 2 1 301.409 3.330 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1[nH]c2ccc(F)cc2c1C ZINC001276598302 1092583327 /nfs/dbraw/zinc/58/33/27/1092583327.db2.gz XQYHBSVEJCHBAV-GOOCMWNKSA-N 2 1 301.409 3.330 20 0 DGADMP C[C@H]1C[N@H+](Cc2sc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003932 1092588234 /nfs/dbraw/zinc/58/82/34/1092588234.db2.gz NRYAZUWIILMXPU-IUCAKERBSA-N 2 1 308.278 3.257 20 0 DGADMP C[C@H]1C[N@@H+](Cc2sc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003932 1092588246 /nfs/dbraw/zinc/58/82/46/1092588246.db2.gz NRYAZUWIILMXPU-IUCAKERBSA-N 2 1 308.278 3.257 20 0 DGADMP FC1(F)CCC[C@@H](Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)C1 ZINC001169213056 1092592512 /nfs/dbraw/zinc/59/25/12/1092592512.db2.gz GACCCFJLUDDVGL-GFCCVEGCSA-N 2 1 306.360 3.011 20 0 DGADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932048 1092595488 /nfs/dbraw/zinc/59/54/88/1092595488.db2.gz NRFAGHQXJLXNDU-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932048 1092595496 /nfs/dbraw/zinc/59/54/96/1092595496.db2.gz NRFAGHQXJLXNDU-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932048 1092595500 /nfs/dbraw/zinc/59/55/00/1092595500.db2.gz NRFAGHQXJLXNDU-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC1(C)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932312 1092597951 /nfs/dbraw/zinc/59/79/51/1092597951.db2.gz OLPFXGUAJOXXHJ-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP COc1c(C)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001276601654 1092598720 /nfs/dbraw/zinc/59/87/20/1092598720.db2.gz KWXMGVYSNGEWLZ-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP COc1c(C)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1C ZINC001276601654 1092598732 /nfs/dbraw/zinc/59/87/32/1092598732.db2.gz KWXMGVYSNGEWLZ-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP COc1c(C)cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1C ZINC001276601654 1092598743 /nfs/dbraw/zinc/59/87/43/1092598743.db2.gz KWXMGVYSNGEWLZ-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@@]4(C3)CCCCO4)C2)cc1 ZINC001208940353 1092603575 /nfs/dbraw/zinc/60/35/75/1092603575.db2.gz BTPTUTGUQBSFEI-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@]4(C3)CCCCO4)C2)cc1 ZINC001208940353 1092603580 /nfs/dbraw/zinc/60/35/80/1092603580.db2.gz BTPTUTGUQBSFEI-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@]4(C3)CCCCO4)C2)cc1 ZINC001208940353 1092603585 /nfs/dbraw/zinc/60/35/85/1092603585.db2.gz BTPTUTGUQBSFEI-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@H]1C[C@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208942024 1092603650 /nfs/dbraw/zinc/60/36/50/1092603650.db2.gz BJAVKXSWAWOQSO-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208942024 1092603654 /nfs/dbraw/zinc/60/36/54/1092603654.db2.gz BJAVKXSWAWOQSO-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208942024 1092603659 /nfs/dbraw/zinc/60/36/59/1092603659.db2.gz BJAVKXSWAWOQSO-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP CSC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947810 1092605101 /nfs/dbraw/zinc/60/51/01/1092605101.db2.gz DEKAEMLABHZGRP-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP COc1c(C)cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001276602420 1092605120 /nfs/dbraw/zinc/60/51/20/1092605120.db2.gz YEPMGADTKDFTPD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1c(C)cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC001276602420 1092605133 /nfs/dbraw/zinc/60/51/33/1092605133.db2.gz YEPMGADTKDFTPD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1c(C)cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001276602420 1092605139 /nfs/dbraw/zinc/60/51/39/1092605139.db2.gz YEPMGADTKDFTPD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC001169262141 1092605886 /nfs/dbraw/zinc/60/58/86/1092605886.db2.gz SZOMGEMERBVVNL-UHFFFAOYSA-N 2 1 314.473 3.331 20 0 DGADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948091 1092606619 /nfs/dbraw/zinc/60/66/19/1092606619.db2.gz NOROBWIPRWMBCQ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948091 1092606626 /nfs/dbraw/zinc/60/66/26/1092606626.db2.gz NOROBWIPRWMBCQ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948091 1092606629 /nfs/dbraw/zinc/60/66/29/1092606629.db2.gz NOROBWIPRWMBCQ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948091 1092606632 /nfs/dbraw/zinc/60/66/32/1092606632.db2.gz NOROBWIPRWMBCQ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945605 1092606740 /nfs/dbraw/zinc/60/67/40/1092606740.db2.gz RXCOQYFNLAOEAT-ICSRJNTNSA-N 2 1 314.473 3.009 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001169263922 1092607957 /nfs/dbraw/zinc/60/79/57/1092607957.db2.gz CULBWGQRHIIXPY-UHFFFAOYSA-N 2 1 305.491 3.122 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001169265594 1092609130 /nfs/dbraw/zinc/60/91/30/1092609130.db2.gz YSEQATYOBREIBC-QGZVFWFLSA-N 2 1 302.462 3.359 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001169265594 1092609137 /nfs/dbraw/zinc/60/91/37/1092609137.db2.gz YSEQATYOBREIBC-QGZVFWFLSA-N 2 1 302.462 3.359 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC1 ZINC001169259021 1092620658 /nfs/dbraw/zinc/62/06/58/1092620658.db2.gz YTIRDSJOJYIOQK-LJQANCHMSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC1 ZINC001169259021 1092620662 /nfs/dbraw/zinc/62/06/62/1092620662.db2.gz YTIRDSJOJYIOQK-LJQANCHMSA-N 2 1 302.462 3.323 20 0 DGADMP COCCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001209050042 1092635150 /nfs/dbraw/zinc/63/51/50/1092635150.db2.gz IVVFBQCDJPZTJB-UHFFFAOYSA-N 2 1 319.836 3.047 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001209122470 1092662112 /nfs/dbraw/zinc/66/21/12/1092662112.db2.gz KDOFBLRCPQSCNN-CABCVRRESA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001209122470 1092662115 /nfs/dbraw/zinc/66/21/15/1092662115.db2.gz KDOFBLRCPQSCNN-CABCVRRESA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001209122470 1092662119 /nfs/dbraw/zinc/66/21/19/1092662119.db2.gz KDOFBLRCPQSCNN-CABCVRRESA-N 2 1 312.379 3.131 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209414554 1092764207 /nfs/dbraw/zinc/76/42/07/1092764207.db2.gz NMJUNXCHMMDEKU-PKOBYXMFSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1cccc(O[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209454831 1092780779 /nfs/dbraw/zinc/78/07/79/1092780779.db2.gz UWGKASIXLWKTLH-SFHVURJKSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1cccc(O[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209454831 1092780788 /nfs/dbraw/zinc/78/07/88/1092780788.db2.gz UWGKASIXLWKTLH-SFHVURJKSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209560965 1092824392 /nfs/dbraw/zinc/82/43/92/1092824392.db2.gz KJIURNXVKAYHFK-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP CCOc1ccc(OC)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276660377 1092861796 /nfs/dbraw/zinc/86/17/96/1092861796.db2.gz HJOFDDASSUKSKC-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660061 1092867970 /nfs/dbraw/zinc/86/79/70/1092867970.db2.gz ZICFHXWTKOHNQM-KRWDZBQOSA-N 2 1 303.837 3.349 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660061 1092867976 /nfs/dbraw/zinc/86/79/76/1092867976.db2.gz ZICFHXWTKOHNQM-KRWDZBQOSA-N 2 1 303.837 3.349 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660061 1092867981 /nfs/dbraw/zinc/86/79/81/1092867981.db2.gz ZICFHXWTKOHNQM-KRWDZBQOSA-N 2 1 303.837 3.349 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660061 1092867983 /nfs/dbraw/zinc/86/79/83/1092867983.db2.gz ZICFHXWTKOHNQM-KRWDZBQOSA-N 2 1 303.837 3.349 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209953835 1092993756 /nfs/dbraw/zinc/99/37/56/1092993756.db2.gz VMUAXSUYLUTYMB-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP Fc1cc(Cl)cc(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267161 1093101629 /nfs/dbraw/zinc/10/16/29/1093101629.db2.gz VPQDYMKOUMTPTI-UHFFFAOYSA-N 2 1 324.762 3.166 20 0 DGADMP Fc1c(Cl)cccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267128 1093101804 /nfs/dbraw/zinc/10/18/04/1093101804.db2.gz WZWFNNFXQLXHGG-UHFFFAOYSA-N 2 1 306.772 3.027 20 0 DGADMP c1ccc(C[N@H+](CC[C@@H]2C[NH2+]CCO2)C2CCCCC2)cc1 ZINC001210581978 1093217582 /nfs/dbraw/zinc/21/75/82/1093217582.db2.gz VCTRYMWPEAFQFL-LJQANCHMSA-N 2 1 302.462 3.200 20 0 DGADMP COc1cc(Cl)ccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276698297 1093485444 /nfs/dbraw/zinc/48/54/44/1093485444.db2.gz MUTHDQBRSHZVKW-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCCC1 ZINC001276745916 1094247039 /nfs/dbraw/zinc/24/70/39/1094247039.db2.gz BPQKJDSXDIVVKX-KDURUIRLSA-N 2 1 307.526 3.057 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(O)cc(Cl)c3)C[C@@H]2C1 ZINC001119989317 1094336070 /nfs/dbraw/zinc/33/60/70/1094336070.db2.gz OPIIICWVTSMZSY-OFQRWUPVSA-N 2 1 308.853 3.208 20 0 DGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207690 1094390211 /nfs/dbraw/zinc/39/02/11/1094390211.db2.gz ARRVFWKYAPGKEM-VOTSOKGWSA-N 2 1 323.525 3.092 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217698713 1094475326 /nfs/dbraw/zinc/47/53/26/1094475326.db2.gz GFZMAXOEZBQTIV-MCIONIFRSA-N 2 1 320.824 3.123 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(Cc2cccc(Cl)c2)o1 ZINC001217713724 1094481866 /nfs/dbraw/zinc/48/18/66/1094481866.db2.gz XEGYTFSMDDHBGA-AWEZNQCLSA-N 2 1 322.840 3.046 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217768780 1094492821 /nfs/dbraw/zinc/49/28/21/1094492821.db2.gz ADIMZMUAVDIFIF-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP CCCC[NH+](CCCC)CCCO[C@H]1CC[NH2+]CC1(F)F ZINC001217784057 1094495590 /nfs/dbraw/zinc/49/55/90/1094495590.db2.gz YKHZSJVCAXOCDF-HNNXBMFYSA-N 2 1 306.441 3.293 20 0 DGADMP CC1(COC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C[NH2+]C1 ZINC001217826793 1094501253 /nfs/dbraw/zinc/50/12/53/1094501253.db2.gz HAIVKMWVAAYILY-UHFFFAOYSA-N 2 1 322.452 3.086 20 0 DGADMP CC(C)[C@H]([NH3+])CO[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001217849982 1094504636 /nfs/dbraw/zinc/50/46/36/1094504636.db2.gz PWXDMLIFAXQPRF-MSOLQXFVSA-N 2 1 304.478 3.287 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217848448 1094504791 /nfs/dbraw/zinc/50/47/91/1094504791.db2.gz JECSTGKFKSBIFD-OALUTQOASA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1CC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC001217909645 1094515932 /nfs/dbraw/zinc/51/59/32/1094515932.db2.gz GRKUJUSOVGKRNP-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2c1CC[NH2+]C2 ZINC001217946623 1094525806 /nfs/dbraw/zinc/52/58/06/1094525806.db2.gz QBZCBNJBFUEOKS-IBGZPJMESA-N 2 1 322.452 3.294 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CCCOCC4)C[C@H]3C2)cc1 ZINC001170833199 1094605227 /nfs/dbraw/zinc/60/52/27/1094605227.db2.gz GDXNWVWWDDCHMX-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CCCOCC4)C[C@H]3C2)cc1 ZINC001170833199 1094605229 /nfs/dbraw/zinc/60/52/29/1094605229.db2.gz GDXNWVWWDDCHMX-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CCCOCC4)C[C@H]3C2)cc1 ZINC001170833199 1094605234 /nfs/dbraw/zinc/60/52/34/1094605234.db2.gz GDXNWVWWDDCHMX-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)CCC(C)C ZINC001336720689 1094709062 /nfs/dbraw/zinc/70/90/62/1094709062.db2.gz FNESFLVVAREXKF-KRWDZBQOSA-N 2 1 301.434 3.067 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135860715 1094722748 /nfs/dbraw/zinc/72/27/48/1094722748.db2.gz GUPKRAKSAKAKLG-IAGOWNOFSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218335912 1094725123 /nfs/dbraw/zinc/72/51/23/1094725123.db2.gz ODMDMIAKUNKSJY-DYESRHJHSA-N 2 1 324.468 3.477 20 0 DGADMP [NH3+]Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001218390498 1094746304 /nfs/dbraw/zinc/74/63/04/1094746304.db2.gz KOZMUWNWQRVAMR-SFHVURJKSA-N 2 1 314.404 3.328 20 0 DGADMP CC[C@]1(c2cccc(O[C@H]3C[NH2+][C@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001218393360 1094747892 /nfs/dbraw/zinc/74/78/92/1094747892.db2.gz UPMVZFHCAZGBGU-SNRMKQJTSA-N 2 1 302.462 3.189 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135980961 1094773970 /nfs/dbraw/zinc/77/39/70/1094773970.db2.gz VJKUMOQRIMNJIN-SJORKVTESA-N 2 1 323.525 3.092 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOCC4)[C@H]3C2)cc1 ZINC000309759062 1094785960 /nfs/dbraw/zinc/78/59/60/1094785960.db2.gz CUTKWLRAFXRXNR-MUGJNUQGSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218484565 1094809078 /nfs/dbraw/zinc/80/90/78/1094809078.db2.gz IDHFSKJKCNPRNP-KKSFZXQISA-N 2 1 322.452 3.232 20 0 DGADMP COc1cc2cc[nH+]c(Nc3cccc(CC[NH3+])c3)c2cc1OC ZINC000313149967 1094996869 /nfs/dbraw/zinc/99/68/69/1094996869.db2.gz YNRVUNHKXXRSLW-UHFFFAOYSA-N 2 1 323.396 3.497 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cccc(F)c3C1)C2 ZINC001170973912 1095062915 /nfs/dbraw/zinc/06/29/15/1095062915.db2.gz SFWHXBZBKOWOPO-LUKYLMHMSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cccc(F)c3C1)C2 ZINC001170973912 1095062929 /nfs/dbraw/zinc/06/29/29/1095062929.db2.gz SFWHXBZBKOWOPO-LUKYLMHMSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171004348 1095116581 /nfs/dbraw/zinc/11/65/81/1095116581.db2.gz CGSHAEYWMFZUFR-KRWDZBQOSA-N 2 1 302.437 3.242 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171004348 1095116587 /nfs/dbraw/zinc/11/65/87/1095116587.db2.gz CGSHAEYWMFZUFR-KRWDZBQOSA-N 2 1 302.437 3.242 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC001246243723 1095139882 /nfs/dbraw/zinc/13/98/82/1095139882.db2.gz MLHQNISARGXVGV-JQWIXIFHSA-N 2 1 317.296 3.377 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316697463 1095186375 /nfs/dbraw/zinc/18/63/75/1095186375.db2.gz AUFWPVMDQDIURF-QRVBRYPASA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316697463 1095186381 /nfs/dbraw/zinc/18/63/81/1095186381.db2.gz AUFWPVMDQDIURF-QRVBRYPASA-N 2 1 302.462 3.227 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222140972 1095454099 /nfs/dbraw/zinc/45/40/99/1095454099.db2.gz AYRULOQSNJTPBL-IBGZPJMESA-N 2 1 324.509 3.356 20 0 DGADMP Clc1ccnc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc12 ZINC001222153985 1095461292 /nfs/dbraw/zinc/46/12/92/1095461292.db2.gz FANSWNDVNSIRGA-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1ccnc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc12 ZINC001222153985 1095461295 /nfs/dbraw/zinc/46/12/95/1095461295.db2.gz FANSWNDVNSIRGA-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1O ZINC001222160842 1095466326 /nfs/dbraw/zinc/46/63/26/1095466326.db2.gz JCKPKHYHYGRROG-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1O ZINC001222160842 1095466334 /nfs/dbraw/zinc/46/63/34/1095466334.db2.gz JCKPKHYHYGRROG-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP Cc1cc(F)ncc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167509 1095473693 /nfs/dbraw/zinc/47/36/93/1095473693.db2.gz MVBGOKASIWANAF-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1cc(F)ncc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167509 1095473698 /nfs/dbraw/zinc/47/36/98/1095473698.db2.gz MVBGOKASIWANAF-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1N ZINC001222167268 1095473751 /nfs/dbraw/zinc/47/37/51/1095473751.db2.gz JOANUSYFNDMSEV-IBGZPJMESA-N 2 1 317.477 3.023 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cnc1C ZINC001222167804 1095473996 /nfs/dbraw/zinc/47/39/96/1095473996.db2.gz RSIIJMUBOGELNR-IBGZPJMESA-N 2 1 301.478 3.444 20 0 DGADMP c1cc2c(nccc2C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222167838 1095474174 /nfs/dbraw/zinc/47/41/74/1095474174.db2.gz STOVELSSTYACJS-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1[nH]c2cnccc2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222168243 1095476597 /nfs/dbraw/zinc/47/65/97/1095476597.db2.gz YNGYQJFHXRBTMJ-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1cn2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)ccc2n1 ZINC001222168214 1095476732 /nfs/dbraw/zinc/47/67/32/1095476732.db2.gz XYTJSJKBFPWLDB-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP CCc1cccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222173877 1095477732 /nfs/dbraw/zinc/47/77/32/1095477732.db2.gz YTTQXASOTJUEOF-IBGZPJMESA-N 2 1 301.478 3.390 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222173877 1095477740 /nfs/dbraw/zinc/47/77/40/1095477740.db2.gz YTTQXASOTJUEOF-IBGZPJMESA-N 2 1 301.478 3.390 20 0 DGADMP Cc1cnc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(C)c1 ZINC001222173325 1095478697 /nfs/dbraw/zinc/47/86/97/1095478697.db2.gz TVELESGPHIQFMR-IBGZPJMESA-N 2 1 301.478 3.444 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC001116291799 1095505347 /nfs/dbraw/zinc/50/53/47/1095505347.db2.gz WGIJHMNHKYHDSP-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1)OCc1ccccc1 ZINC001222258648 1095515352 /nfs/dbraw/zinc/51/53/52/1095515352.db2.gz DHYCDXCLZQYSMO-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP FC(F)COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265812 1095521108 /nfs/dbraw/zinc/52/11/08/1095521108.db2.gz ZNXBPAHSGAGOOF-SFHVURJKSA-N 2 1 324.415 3.296 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265812 1095521118 /nfs/dbraw/zinc/52/11/18/1095521118.db2.gz ZNXBPAHSGAGOOF-SFHVURJKSA-N 2 1 324.415 3.296 20 0 DGADMP COc1c(C)cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1C ZINC001222293149 1095534148 /nfs/dbraw/zinc/53/41/48/1095534148.db2.gz PSUGHUFNRYERFO-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP CC(C)Oc1ncccc1CC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307861 1095541633 /nfs/dbraw/zinc/54/16/33/1095541633.db2.gz CRGCBFFTKHFXIC-IBGZPJMESA-N 2 1 317.477 3.019 20 0 DGADMP Cc1cc(Br)cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1 ZINC001144214683 1095561206 /nfs/dbraw/zinc/56/12/06/1095561206.db2.gz LULFDOLOCMUWJH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001144214683 1095561214 /nfs/dbraw/zinc/56/12/14/1095561214.db2.gz LULFDOLOCMUWJH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001144214683 1095561222 /nfs/dbraw/zinc/56/12/22/1095561222.db2.gz LULFDOLOCMUWJH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001144214683 1095561230 /nfs/dbraw/zinc/56/12/30/1095561230.db2.gz LULFDOLOCMUWJH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001144214683 1095561240 /nfs/dbraw/zinc/56/12/40/1095561240.db2.gz LULFDOLOCMUWJH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C1CCN(C)CC1 ZINC001144386207 1095638026 /nfs/dbraw/zinc/63/80/26/1095638026.db2.gz VJVYFBRGDSGVSL-UHFFFAOYSA-N 2 1 316.367 3.327 20 0 DGADMP CCOc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596234 1095682249 /nfs/dbraw/zinc/68/22/49/1095682249.db2.gz SSFPCEFVFZRRHR-IBGZPJMESA-N 2 1 322.452 3.274 20 0 DGADMP CCOc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596234 1095682257 /nfs/dbraw/zinc/68/22/57/1095682257.db2.gz SSFPCEFVFZRRHR-IBGZPJMESA-N 2 1 322.452 3.274 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C)c1 ZINC001222595797 1095682516 /nfs/dbraw/zinc/68/25/16/1095682516.db2.gz JKWQHKLXSIOEKS-FQEVSTJZSA-N 2 1 306.453 3.492 20 0 DGADMP c1ccc([C@H]2C[N@H+](CC3Cc4ccccc4C3)CC23C[NH2+]C3)cc1 ZINC001222595789 1095682929 /nfs/dbraw/zinc/68/29/29/1095682929.db2.gz JGMVCCUIQPDKQM-OAQYLSRUSA-N 2 1 318.464 3.090 20 0 DGADMP c1[nH]c2ccccc2c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595659 1095683835 /nfs/dbraw/zinc/68/38/35/1095683835.db2.gz GEBSIMZVPDAEOU-IBGZPJMESA-N 2 1 317.436 3.357 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602405 1095687852 /nfs/dbraw/zinc/68/78/52/1095687852.db2.gz POLAZMNDIUFVOS-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602405 1095687853 /nfs/dbraw/zinc/68/78/53/1095687853.db2.gz POLAZMNDIUFVOS-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602629 1095688261 /nfs/dbraw/zinc/68/82/61/1095688261.db2.gz VUJAFRZZBAHMOZ-IBGZPJMESA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602629 1095688264 /nfs/dbraw/zinc/68/82/64/1095688264.db2.gz VUJAFRZZBAHMOZ-IBGZPJMESA-N 2 1 310.416 3.323 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620745 1095697710 /nfs/dbraw/zinc/69/77/10/1095697710.db2.gz ZBZOYGCLWXXYPJ-GXTWGEPZSA-N 2 1 316.392 3.482 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620745 1095697714 /nfs/dbraw/zinc/69/77/14/1095697714.db2.gz ZBZOYGCLWXXYPJ-GXTWGEPZSA-N 2 1 316.392 3.482 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222629477 1095700168 /nfs/dbraw/zinc/70/01/68/1095700168.db2.gz IVWHXTLPIKAKIE-CALCHBBNSA-N 2 1 302.462 3.295 20 0 DGADMP Fc1cc(Cl)cc(F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624001 1095700216 /nfs/dbraw/zinc/70/02/16/1095700216.db2.gz SBDUNGVHZXRDFV-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Fc1cc(Cl)cc(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624001 1095700225 /nfs/dbraw/zinc/70/02/25/1095700225.db2.gz SBDUNGVHZXRDFV-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC001222629228 1095701282 /nfs/dbraw/zinc/70/12/82/1095701282.db2.gz FFZXZWCEIXZCEO-OKILXGFUSA-N 2 1 308.853 3.170 20 0 DGADMP Cn1ccc2cc(C[NH+]3CCC[C@@]4(CCC[N@@H+](C)C4)C3)ccc21 ZINC001276840878 1095763698 /nfs/dbraw/zinc/76/36/98/1095763698.db2.gz XJNLQGYZWXOVKJ-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)cc21 ZINC001276845332 1095771354 /nfs/dbraw/zinc/77/13/54/1095771354.db2.gz AWWRYCHYDIBERF-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001340063407 1095843497 /nfs/dbraw/zinc/84/34/97/1095843497.db2.gz KTTNAACVNGLGLP-RYUDHWBXSA-N 2 1 300.418 3.304 20 0 DGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171246620 1095914370 /nfs/dbraw/zinc/91/43/70/1095914370.db2.gz GIIKYIHMSXYQAH-WMZOPIPTSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001118017912 1095922172 /nfs/dbraw/zinc/92/21/72/1095922172.db2.gz COHIFNGIOYBZKU-CABCVRRESA-N 2 1 300.450 3.116 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001118017912 1095922184 /nfs/dbraw/zinc/92/21/84/1095922184.db2.gz COHIFNGIOYBZKU-CABCVRRESA-N 2 1 300.450 3.116 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198821 1095956377 /nfs/dbraw/zinc/95/63/77/1095956377.db2.gz UGDYLCTYFAVEMS-UHFFFAOYSA-N 2 1 302.462 3.093 20 0 DGADMP C[C@H]1CCc2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)sc2C1 ZINC001118243471 1095964797 /nfs/dbraw/zinc/96/47/97/1095964797.db2.gz RZECRYTWBOCONF-AWEZNQCLSA-N 2 1 319.518 3.234 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118242839 1095965968 /nfs/dbraw/zinc/96/59/68/1095965968.db2.gz KVTZPWBRGRYBAQ-UHFFFAOYSA-N 2 1 324.472 3.351 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC001340989133 1096088559 /nfs/dbraw/zinc/08/85/59/1096088559.db2.gz BFYSVIPPIYXMBW-BRWVUGGUSA-N 2 1 322.880 3.354 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001171283474 1096092206 /nfs/dbraw/zinc/09/22/06/1096092206.db2.gz GFMMSBPXBZWUJE-UHFFFAOYSA-N 2 1 324.472 3.401 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001119297120 1096157529 /nfs/dbraw/zinc/15/75/29/1096157529.db2.gz FLPZEEMDISQKSU-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP C[NH+]1CCC(CO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001224454658 1096216635 /nfs/dbraw/zinc/21/66/35/1096216635.db2.gz QQOOPWIIGXURMW-SFHVURJKSA-N 2 1 322.880 3.273 20 0 DGADMP CC(C)c1cc(-n2c(CC[NH3+])cc3ccccc32)nc(N(C)C)[nH+]1 ZINC001171302990 1096221764 /nfs/dbraw/zinc/22/17/64/1096221764.db2.gz YHBBTKRQGQQQAI-UHFFFAOYSA-N 2 1 323.444 3.111 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688803 1096245882 /nfs/dbraw/zinc/24/58/82/1096245882.db2.gz KYRYFIQBYYBRCM-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688803 1096245889 /nfs/dbraw/zinc/24/58/89/1096245889.db2.gz KYRYFIQBYYBRCM-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001224703161 1096266908 /nfs/dbraw/zinc/26/69/08/1096266908.db2.gz QRFZTYRMCJCVPG-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC[NH+]1CCCC1 ZINC001224744343 1096276628 /nfs/dbraw/zinc/27/66/28/1096276628.db2.gz JRJJXJIKIRMMCU-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224822696 1096292433 /nfs/dbraw/zinc/29/24/33/1096292433.db2.gz BSDWYJVIEKQNNP-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224822696 1096292438 /nfs/dbraw/zinc/29/24/38/1096292438.db2.gz BSDWYJVIEKQNNP-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224822696 1096292442 /nfs/dbraw/zinc/29/24/42/1096292442.db2.gz BSDWYJVIEKQNNP-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224825833 1096294129 /nfs/dbraw/zinc/29/41/29/1096294129.db2.gz MKEDHGDFMQDAEC-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224825833 1096294134 /nfs/dbraw/zinc/29/41/34/1096294134.db2.gz MKEDHGDFMQDAEC-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224825833 1096294141 /nfs/dbraw/zinc/29/41/41/1096294141.db2.gz MKEDHGDFMQDAEC-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1ccc(N2CCC[C@@H](OCCC[NH+]3CCCCC3)C2)[nH+]c1 ZINC001224861535 1096303338 /nfs/dbraw/zinc/30/33/38/1096303338.db2.gz XPWKZDOAKNWNFX-GOSISDBHSA-N 2 1 317.477 3.251 20 0 DGADMP CC[NH+](CC)CCO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001224925829 1096315508 /nfs/dbraw/zinc/31/55/08/1096315508.db2.gz UXGOFZXBKAIUEA-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCC[NH+](C)C ZINC001224990910 1096330411 /nfs/dbraw/zinc/33/04/11/1096330411.db2.gz ITVRQPYKULRILE-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)CC[C@H](Oc1cccnc1C[NH+](C)C)c1ccccc1 ZINC001225277429 1096381559 /nfs/dbraw/zinc/38/15/59/1096381559.db2.gz IRADHDOCDXWFRL-SFHVURJKSA-N 2 1 313.445 3.215 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226170364 1096629314 /nfs/dbraw/zinc/62/93/14/1096629314.db2.gz IYEKKAWEOKCRJR-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP CCOc1cc(OC)ccc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277122666 1096672106 /nfs/dbraw/zinc/67/21/06/1096672106.db2.gz QJFKLWNLVHLMFQ-LJQANCHMSA-N 2 1 318.461 3.012 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1c(C)cccc1C)CC(C)C ZINC001171457793 1096890020 /nfs/dbraw/zinc/89/00/20/1096890020.db2.gz MBJOLLWPNXRSLE-SFHVURJKSA-N 2 1 306.494 3.074 20 0 DGADMP CCN(C)C[C@H](O)C[N@H+](Cc1c(C)cccc1C)CC(C)C ZINC001171457793 1096890013 /nfs/dbraw/zinc/89/00/13/1096890013.db2.gz MBJOLLWPNXRSLE-SFHVURJKSA-N 2 1 306.494 3.074 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1c(C)cccc1C)CC(C)C ZINC001171457793 1096890026 /nfs/dbraw/zinc/89/00/26/1096890026.db2.gz MBJOLLWPNXRSLE-SFHVURJKSA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1c(C)cccc1C)CC(C)C ZINC001171457793 1096890032 /nfs/dbraw/zinc/89/00/32/1096890032.db2.gz MBJOLLWPNXRSLE-SFHVURJKSA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1c(C)cccc1C)CC(C)C ZINC001171457793 1096890034 /nfs/dbraw/zinc/89/00/34/1096890034.db2.gz MBJOLLWPNXRSLE-SFHVURJKSA-N 2 1 306.494 3.074 20 0 DGADMP CC(C)N(C[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171460175 1096890707 /nfs/dbraw/zinc/89/07/07/1096890707.db2.gz WKPJIJYHGZHHKI-UXHICEINSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)N(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171460175 1096890714 /nfs/dbraw/zinc/89/07/14/1096890714.db2.gz WKPJIJYHGZHHKI-UXHICEINSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)N(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171460175 1096890718 /nfs/dbraw/zinc/89/07/18/1096890718.db2.gz WKPJIJYHGZHHKI-UXHICEINSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccc([C@@H](CO)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171628925 1096930004 /nfs/dbraw/zinc/93/00/04/1096930004.db2.gz MQEYLDSGXVQHPZ-QGZVFWFLSA-N 2 1 304.478 3.269 20 0 DGADMP CCOC(=O)C[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171632391 1096931190 /nfs/dbraw/zinc/93/11/90/1096931190.db2.gz ZIEJDFQBFXNANO-OAHLLOKOSA-N 2 1 324.509 3.303 20 0 DGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1OC ZINC001171618254 1096935485 /nfs/dbraw/zinc/93/54/85/1096935485.db2.gz VCOWRMDHZYLBDC-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)c2cccc(F)c2)CC1(C)C ZINC001171623080 1096936317 /nfs/dbraw/zinc/93/63/17/1096936317.db2.gz JRFQOYLFCNDSSY-INIZCTEOSA-N 2 1 308.441 3.100 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2COCc3ccccc32)CC1(C)C ZINC001171624563 1096937966 /nfs/dbraw/zinc/93/79/66/1096937966.db2.gz WNFIOHQPERCJGF-QGZVFWFLSA-N 2 1 302.462 3.499 20 0 DGADMP C[NH+]1C(C)(C)CC(N[C@H]2CC[N@@H+](CC3CCC3)C2)CC1(C)C ZINC001171627150 1096938500 /nfs/dbraw/zinc/93/85/00/1096938500.db2.gz MBZRUQHYJBDLDS-INIZCTEOSA-N 2 1 307.526 3.102 20 0 DGADMP Cc1nc2c(s1)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171639254 1096949307 /nfs/dbraw/zinc/94/93/07/1096949307.db2.gz BKQCCAZBJPXHOP-UHFFFAOYSA-N 2 1 307.507 3.461 20 0 DGADMP Cc1nc2c(s1)C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171639254 1096949312 /nfs/dbraw/zinc/94/93/12/1096949312.db2.gz BKQCCAZBJPXHOP-UHFFFAOYSA-N 2 1 307.507 3.461 20 0 DGADMP C[C@@H]1C[C@@H](n2ccc3cc(C[NH3+])cnc32)C[N@H+]1Cc1ccccc1 ZINC001171725432 1096954330 /nfs/dbraw/zinc/95/43/30/1096954330.db2.gz LVGPLMGVQZTJRB-DNVCBOLYSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](n2ncc3c2cccc3C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171728510 1096956600 /nfs/dbraw/zinc/95/66/00/1096956600.db2.gz OZXYYZAIAZZLNK-CRAIPNDOSA-N 2 1 320.440 3.331 20 0 DGADMP C[NH2+]Cc1c(C)nn([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171760405 1096963979 /nfs/dbraw/zinc/96/39/79/1096963979.db2.gz VSLSTIYDKZBKOF-KBXCAEBGSA-N 2 1 312.461 3.055 20 0 DGADMP C[C@H]1C[C@H](N2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171764740 1096966684 /nfs/dbraw/zinc/96/66/84/1096966684.db2.gz UTTMWQFLONOQLL-HKUYNNGSSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](n2c(C[NH3+])cc3ccncc32)C[N@H+]1Cc1ccccc1 ZINC001171734120 1096970741 /nfs/dbraw/zinc/97/07/41/1096970741.db2.gz LMUSTCJRMKPYPA-HNAYVOBHSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](n2c(C[NH3+])cc3ccncc32)C[N@H+]1Cc1ccccc1 ZINC001171734018 1096970822 /nfs/dbraw/zinc/97/08/22/1096970822.db2.gz LMUSTCJRMKPYPA-BEFAXECRSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](n2cnc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171734466 1096971205 /nfs/dbraw/zinc/97/12/05/1096971205.db2.gz OCAUECXRAUNCJI-QAPCUYQASA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](Nc2ccc(C[NH3+])c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171739403 1096972279 /nfs/dbraw/zinc/97/22/79/1096972279.db2.gz CTVKROYHTYKHBG-KDOFPFPSSA-N 2 1 313.420 3.359 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001171958543 1097004842 /nfs/dbraw/zinc/00/48/42/1097004842.db2.gz BBTWUZIELDBISJ-TZMCWYRMSA-N 2 1 300.368 3.178 20 0 DGADMP CC1(C)C[C@@H](n2cncc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171964758 1097006169 /nfs/dbraw/zinc/00/61/69/1097006169.db2.gz MXYSBVOAHWKBQL-KRWDZBQOSA-N 2 1 312.461 3.000 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171968656 1097006943 /nfs/dbraw/zinc/00/69/43/1097006943.db2.gz QPWWYZGFRRCZDJ-QZTJIDSGSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171926612 1097009555 /nfs/dbraw/zinc/00/95/55/1097009555.db2.gz JATNLVYKFXULTR-UHFFFAOYSA-N 2 1 324.509 3.161 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988807 1097015373 /nfs/dbraw/zinc/01/53/73/1097015373.db2.gz VXRQELIRIRVESM-AZUAARDMSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988807 1097015378 /nfs/dbraw/zinc/01/53/78/1097015378.db2.gz VXRQELIRIRVESM-AZUAARDMSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988807 1097015381 /nfs/dbraw/zinc/01/53/81/1097015381.db2.gz VXRQELIRIRVESM-AZUAARDMSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988807 1097015386 /nfs/dbraw/zinc/01/53/86/1097015386.db2.gz VXRQELIRIRVESM-AZUAARDMSA-N 2 1 316.489 3.276 20 0 DGADMP CN(Cc1ccncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991526 1097016495 /nfs/dbraw/zinc/01/64/95/1097016495.db2.gz ZNHFZBPOMOSBSS-IBGZPJMESA-N 2 1 324.472 3.352 20 0 DGADMP CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970459 1097020426 /nfs/dbraw/zinc/02/04/26/1097020426.db2.gz CEOIUGKPQGYGRX-ZWKOTPCHSA-N 2 1 304.478 3.180 20 0 DGADMP CC1(C)C[C@@H](NCc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC001171970553 1097020475 /nfs/dbraw/zinc/02/04/75/1097020475.db2.gz CZPKANAOZUHCAJ-KRWDZBQOSA-N 2 1 310.445 3.009 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976927 1097026055 /nfs/dbraw/zinc/02/60/55/1097026055.db2.gz OOQAEHLPVLJIEK-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976927 1097026061 /nfs/dbraw/zinc/02/60/61/1097026061.db2.gz OOQAEHLPVLJIEK-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976927 1097026068 /nfs/dbraw/zinc/02/60/68/1097026068.db2.gz OOQAEHLPVLJIEK-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976927 1097026074 /nfs/dbraw/zinc/02/60/74/1097026074.db2.gz OOQAEHLPVLJIEK-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC[N@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977981 1097026676 /nfs/dbraw/zinc/02/66/76/1097026676.db2.gz VOSPCOJEJSPCOH-SFHVURJKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[N@@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977981 1097026681 /nfs/dbraw/zinc/02/66/81/1097026681.db2.gz VOSPCOJEJSPCOH-SFHVURJKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CCOC)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977981 1097026686 /nfs/dbraw/zinc/02/66/86/1097026686.db2.gz VOSPCOJEJSPCOH-SFHVURJKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CCOC)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977981 1097026691 /nfs/dbraw/zinc/02/66/91/1097026691.db2.gz VOSPCOJEJSPCOH-SFHVURJKSA-N 2 1 304.478 3.398 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@H]1F ZINC001206156932 1097039608 /nfs/dbraw/zinc/03/96/08/1097039608.db2.gz UHZNBTPNRZJVAQ-KGLIPLIRSA-N 2 1 305.224 3.297 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)CC[C@H]1F ZINC001206156932 1097039610 /nfs/dbraw/zinc/03/96/10/1097039610.db2.gz UHZNBTPNRZJVAQ-KGLIPLIRSA-N 2 1 305.224 3.297 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC001172099153 1097042392 /nfs/dbraw/zinc/04/23/92/1097042392.db2.gz FXKSIWKWFXEARW-LDLYASANSA-N 2 1 315.505 3.426 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3ccc(F)cc31)C2 ZINC001172100775 1097043026 /nfs/dbraw/zinc/04/30/26/1097043026.db2.gz SUZZZRLFPKKQCE-MPTYRVRUSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3ccc(F)cc31)C2 ZINC001172100775 1097043033 /nfs/dbraw/zinc/04/30/33/1097043033.db2.gz SUZZZRLFPKKQCE-MPTYRVRUSA-N 2 1 304.409 3.254 20 0 DGADMP O=C1CC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065491 1097043350 /nfs/dbraw/zinc/04/33/50/1097043350.db2.gz NHHMFFAFOQEGEG-LDLYASANSA-N 2 1 312.457 3.141 20 0 DGADMP O=C1CC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065491 1097043353 /nfs/dbraw/zinc/04/33/53/1097043353.db2.gz NHHMFFAFOQEGEG-LDLYASANSA-N 2 1 312.457 3.141 20 0 DGADMP Cn1nccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069165 1097046502 /nfs/dbraw/zinc/04/65/02/1097046502.db2.gz RORYUZWAYGYRLZ-LDLYASANSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1nccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069165 1097046506 /nfs/dbraw/zinc/04/65/06/1097046506.db2.gz RORYUZWAYGYRLZ-LDLYASANSA-N 2 1 324.472 3.095 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172127995 1097047261 /nfs/dbraw/zinc/04/72/61/1097047261.db2.gz NEPAXNQLIZVMGQ-REPLKXPHSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[N@H+](CCc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127995 1097047266 /nfs/dbraw/zinc/04/72/66/1097047266.db2.gz NEPAXNQLIZVMGQ-REPLKXPHSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127995 1097047272 /nfs/dbraw/zinc/04/72/72/1097047272.db2.gz NEPAXNQLIZVMGQ-REPLKXPHSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+](CCc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127995 1097047277 /nfs/dbraw/zinc/04/72/77/1097047277.db2.gz NEPAXNQLIZVMGQ-REPLKXPHSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+](CCc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127995 1097047280 /nfs/dbraw/zinc/04/72/80/1097047280.db2.gz NEPAXNQLIZVMGQ-REPLKXPHSA-N 2 1 301.478 3.351 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)cc1 ZINC001172126994 1097047368 /nfs/dbraw/zinc/04/73/68/1097047368.db2.gz FHYKQVJNMFKDFC-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126994 1097047372 /nfs/dbraw/zinc/04/73/72/1097047372.db2.gz FHYKQVJNMFKDFC-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126994 1097047379 /nfs/dbraw/zinc/04/73/79/1097047379.db2.gz FHYKQVJNMFKDFC-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172126994 1097047387 /nfs/dbraw/zinc/04/73/87/1097047387.db2.gz FHYKQVJNMFKDFC-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172126994 1097047394 /nfs/dbraw/zinc/04/73/94/1097047394.db2.gz FHYKQVJNMFKDFC-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)cc1 ZINC001172126998 1097047874 /nfs/dbraw/zinc/04/78/74/1097047874.db2.gz FHYKQVJNMFKDFC-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126998 1097047879 /nfs/dbraw/zinc/04/78/79/1097047879.db2.gz FHYKQVJNMFKDFC-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126998 1097047885 /nfs/dbraw/zinc/04/78/85/1097047885.db2.gz FHYKQVJNMFKDFC-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172126998 1097047891 /nfs/dbraw/zinc/04/78/91/1097047891.db2.gz FHYKQVJNMFKDFC-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172126998 1097047894 /nfs/dbraw/zinc/04/78/94/1097047894.db2.gz FHYKQVJNMFKDFC-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126667 1097047998 /nfs/dbraw/zinc/04/79/98/1097047998.db2.gz XWZFDIMKHOFSSD-YYIAUSFCSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130612 1097049017 /nfs/dbraw/zinc/04/90/17/1097049017.db2.gz QMHIRUFOLKNXSD-RDGPPVDQSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130612 1097049022 /nfs/dbraw/zinc/04/90/22/1097049022.db2.gz QMHIRUFOLKNXSD-RDGPPVDQSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130612 1097049029 /nfs/dbraw/zinc/04/90/29/1097049029.db2.gz QMHIRUFOLKNXSD-RDGPPVDQSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130612 1097049034 /nfs/dbraw/zinc/04/90/34/1097049034.db2.gz QMHIRUFOLKNXSD-RDGPPVDQSA-N 2 1 306.494 3.283 20 0 DGADMP COc1cccc2c1CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172130005 1097049739 /nfs/dbraw/zinc/04/97/39/1097049739.db2.gz MXNVIWDIQPOMKK-FVQHAEBGSA-N 2 1 300.446 3.069 20 0 DGADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001172130085 1097049911 /nfs/dbraw/zinc/04/99/11/1097049911.db2.gz HFOOXAUJWYOCKX-MVBLQPKNSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001172130085 1097049916 /nfs/dbraw/zinc/04/99/16/1097049916.db2.gz HFOOXAUJWYOCKX-MVBLQPKNSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001172130085 1097049922 /nfs/dbraw/zinc/04/99/22/1097049922.db2.gz HFOOXAUJWYOCKX-MVBLQPKNSA-N 2 1 314.473 3.464 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1cccc(Cl)c1)C2 ZINC001172104120 1097052216 /nfs/dbraw/zinc/05/22/16/1097052216.db2.gz ZTIYJUHXGAVBME-PHZGNYQRSA-N 2 1 308.853 3.324 20 0 DGADMP COc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172104398 1097052275 /nfs/dbraw/zinc/05/22/75/1097052275.db2.gz CKGGQXNRHMPDMY-QKDCVEJESA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001172104398 1097052279 /nfs/dbraw/zinc/05/22/79/1097052279.db2.gz CKGGQXNRHMPDMY-QKDCVEJESA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172104398 1097052286 /nfs/dbraw/zinc/05/22/86/1097052286.db2.gz CKGGQXNRHMPDMY-QKDCVEJESA-N 2 1 308.853 3.454 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1ccccc1Cl)C2 ZINC001172101940 1097052385 /nfs/dbraw/zinc/05/23/85/1097052385.db2.gz IIWMMXMGSGKQIF-QDMKHBRRSA-N 2 1 308.853 3.324 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cc(-c3ccccc3)on1)C2 ZINC001172104581 1097052506 /nfs/dbraw/zinc/05/25/06/1097052506.db2.gz DBVZLKHLRZFMMI-XGWQRUHWSA-N 2 1 311.429 3.447 20 0 DGADMP CSc1ccc(OCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172104240 1097052748 /nfs/dbraw/zinc/05/27/48/1097052748.db2.gz AUTGACOYCZSQPG-PHZGNYQRSA-N 2 1 320.502 3.392 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3c3c1C[C@@H]([NH3+])C3)C2 ZINC001172104346 1097053218 /nfs/dbraw/zinc/05/32/18/1097053218.db2.gz BRELAMMRBVETRL-CAOSSQGBSA-N 2 1 309.457 3.255 20 0 DGADMP Cn1cc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172104601 1097053514 /nfs/dbraw/zinc/05/35/14/1097053514.db2.gz DIYKAYCZXRVRNV-NNZMDNLPSA-N 2 1 311.473 3.326 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172107712 1097053819 /nfs/dbraw/zinc/05/38/19/1097053819.db2.gz BAKGJXWNAIQHND-PHZGNYQRSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172107712 1097053826 /nfs/dbraw/zinc/05/38/26/1097053826.db2.gz BAKGJXWNAIQHND-PHZGNYQRSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172107756 1097054179 /nfs/dbraw/zinc/05/41/79/1097054179.db2.gz BRZOQJWRKLIGQM-OSYLJGHBSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172107756 1097054183 /nfs/dbraw/zinc/05/41/83/1097054183.db2.gz BRZOQJWRKLIGQM-OSYLJGHBSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172111320 1097055934 /nfs/dbraw/zinc/05/59/34/1097055934.db2.gz QBZNGFAULQBHNI-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccccc1CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172111320 1097055939 /nfs/dbraw/zinc/05/59/39/1097055939.db2.gz QBZNGFAULQBHNI-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109033 1097056245 /nfs/dbraw/zinc/05/62/45/1097056245.db2.gz BOQRRQSAPRXDFD-CUSZFKRNSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109033 1097056248 /nfs/dbraw/zinc/05/62/48/1097056248.db2.gz BOQRRQSAPRXDFD-CUSZFKRNSA-N 2 1 303.425 3.277 20 0 DGADMP COc1cccnc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172109106 1097056898 /nfs/dbraw/zinc/05/68/98/1097056898.db2.gz GNJOYQZDQDRYRF-KYHPRHEASA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccnc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172109106 1097056903 /nfs/dbraw/zinc/05/69/03/1097056903.db2.gz GNJOYQZDQDRYRF-KYHPRHEASA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccc(F)cn1)C1CC1)C2 ZINC001172109405 1097057265 /nfs/dbraw/zinc/05/72/65/1097057265.db2.gz CUIYVFTZSQBNOB-CUSZFKRNSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109035 1097057362 /nfs/dbraw/zinc/05/73/62/1097057362.db2.gz BOQRRQSAPRXDFD-KYHPRHEASA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109035 1097057368 /nfs/dbraw/zinc/05/73/68/1097057368.db2.gz BOQRRQSAPRXDFD-KYHPRHEASA-N 2 1 303.425 3.277 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ncccc1F)C1CC1)C2 ZINC001172110852 1097057664 /nfs/dbraw/zinc/05/76/64/1097057664.db2.gz QBCVOBBLPFHGAM-JYYAWHABSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ncccc1F)C1CC1)C2 ZINC001172110852 1097057669 /nfs/dbraw/zinc/05/76/69/1097057669.db2.gz QBCVOBBLPFHGAM-JYYAWHABSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1cccc3ccoc31)C2 ZINC001172111665 1097059149 /nfs/dbraw/zinc/05/91/49/1097059149.db2.gz WFWRONKXCFKFSE-OSYLJGHBSA-N 2 1 314.429 3.417 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1-c1cccc(C[NH3+])c1)C2 ZINC001172111998 1097059177 /nfs/dbraw/zinc/05/91/77/1097059177.db2.gz YSECSVTZPFTEPF-PIIMJCKOSA-N 2 1 310.445 3.197 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001172113392 1097059348 /nfs/dbraw/zinc/05/93/48/1097059348.db2.gz CRHZYCIMOVYCKU-LKIBZCMFSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001172113392 1097059353 /nfs/dbraw/zinc/05/93/53/1097059353.db2.gz CRHZYCIMOVYCKU-LKIBZCMFSA-N 2 1 322.880 3.367 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115520 1097060498 /nfs/dbraw/zinc/06/04/98/1097060498.db2.gz XYYOQLFQLDJWKI-ACDBMABISA-N 2 1 319.537 3.200 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114631 1097060830 /nfs/dbraw/zinc/06/08/30/1097060830.db2.gz OWUIRLPDGKJGDB-OAFZBRQQSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114631 1097060837 /nfs/dbraw/zinc/06/08/37/1097060837.db2.gz OWUIRLPDGKJGDB-OAFZBRQQSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172113723 1097061709 /nfs/dbraw/zinc/06/17/09/1097061709.db2.gz JLXVDUQPIYTYMX-BCDXTJNWSA-N 2 1 307.526 3.102 20 0 DGADMP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[NH+](Cc2ccccc2)CC1 ZINC001172223422 1097080530 /nfs/dbraw/zinc/08/05/30/1097080530.db2.gz UZYFKTRUKBGRPB-YQQQUEKLSA-N 2 1 314.473 3.341 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172377389 1097113083 /nfs/dbraw/zinc/11/30/83/1097113083.db2.gz BDNBTLQVZWIGGO-JKSUJKDBSA-N 2 1 300.487 3.386 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001172409150 1097131701 /nfs/dbraw/zinc/13/17/01/1097131701.db2.gz QRAADXDVAUIROA-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cs1 ZINC001277310285 1097139807 /nfs/dbraw/zinc/13/98/07/1097139807.db2.gz KOMJXLSNZYRIIV-MSOLQXFVSA-N 2 1 321.534 3.143 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172400917 1097144891 /nfs/dbraw/zinc/14/48/91/1097144891.db2.gz DOWJMCQSQXYJDG-IAGOWNOFSA-N 2 1 324.509 3.161 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228594552 1097149544 /nfs/dbraw/zinc/14/95/44/1097149544.db2.gz MSSATKTXVDASMV-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP Cc1cccc(N([C@@H](C)CCOCC(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172477585 1097149623 /nfs/dbraw/zinc/14/96/23/1097149623.db2.gz BNKWPMFUJPPHCG-KRWDZBQOSA-N 2 1 319.493 3.400 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446025 1097157219 /nfs/dbraw/zinc/15/72/19/1097157219.db2.gz VASLWCBGMBGFQD-ZHALLVOQSA-N 2 1 319.493 3.357 20 0 DGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)CCOC(C)C)CC1 ZINC001172450647 1097158386 /nfs/dbraw/zinc/15/83/86/1097158386.db2.gz ZCXHBYANONDBCB-INIZCTEOSA-N 2 1 305.466 3.152 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172724101 1097218514 /nfs/dbraw/zinc/21/85/14/1097218514.db2.gz KCJJHHNMJZLNPU-JZXOWHBKSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172724101 1097218516 /nfs/dbraw/zinc/21/85/16/1097218516.db2.gz KCJJHHNMJZLNPU-JZXOWHBKSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172724101 1097218519 /nfs/dbraw/zinc/21/85/19/1097218519.db2.gz KCJJHHNMJZLNPU-JZXOWHBKSA-N 2 1 304.865 3.081 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001172767670 1097235791 /nfs/dbraw/zinc/23/57/91/1097235791.db2.gz JMANQEKFNLTPAR-NVXWUHKLSA-N 2 1 310.482 3.092 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778194 1097239360 /nfs/dbraw/zinc/23/93/60/1097239360.db2.gz LGLFNNBTIAWHQA-XYVMCAHJSA-N 2 1 322.493 3.233 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001172781671 1097241398 /nfs/dbraw/zinc/24/13/98/1097241398.db2.gz XSFPRHGGVVKEKG-GVDBMIGSSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001172781671 1097241401 /nfs/dbraw/zinc/24/14/01/1097241401.db2.gz XSFPRHGGVVKEKG-GVDBMIGSSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172854989 1097262614 /nfs/dbraw/zinc/26/26/14/1097262614.db2.gz BAKRGYXKKLVVLA-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001173073503 1097323199 /nfs/dbraw/zinc/32/31/99/1097323199.db2.gz PELAZWVPUYXAID-GFCCVEGCSA-N 2 1 316.367 3.200 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC001173105039 1097330790 /nfs/dbraw/zinc/33/07/90/1097330790.db2.gz YWOCZRTYIXPISO-UHFFFAOYSA-N 2 1 307.526 3.246 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](c3noc(C)n3)C2)CC1 ZINC001173110447 1097331628 /nfs/dbraw/zinc/33/16/28/1097331628.db2.gz SHKPZSSSRCCTIP-GTPINHCMSA-N 2 1 320.481 3.210 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001173109293 1097331753 /nfs/dbraw/zinc/33/17/53/1097331753.db2.gz GEPAQUFWPXRCPK-UHFFFAOYSA-N 2 1 316.489 3.190 20 0 DGADMP CC[NH+](CC)C1CCC(N2CC[N@@H+](C)CC23CCCC3)CC1 ZINC001173112958 1097332680 /nfs/dbraw/zinc/33/26/80/1097332680.db2.gz FLYGESMPMPSZEY-UHFFFAOYSA-N 2 1 307.526 3.200 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173111809 1097332710 /nfs/dbraw/zinc/33/27/10/1097332710.db2.gz MBAYKKXUYBWIGN-GTPINHCMSA-N 2 1 324.509 3.303 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)CC1 ZINC001173113406 1097332855 /nfs/dbraw/zinc/33/28/55/1097332855.db2.gz PNIHLRBWPMHQBE-UYSNPLJNSA-N 2 1 316.436 3.140 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)[C@@H]1C ZINC001173112751 1097333146 /nfs/dbraw/zinc/33/31/46/1097333146.db2.gz ARWOUZQLBXBZRW-CPFNUKBASA-N 2 1 324.509 3.303 20 0 DGADMP c1nc2c(s1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCCC3)C1)CC2 ZINC001173127740 1097337268 /nfs/dbraw/zinc/33/72/68/1097337268.db2.gz CKDOTNXHDKWCCQ-HOTGVXAUSA-N 2 1 319.518 3.245 20 0 DGADMP c1nc2c(s1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCCC3)C1)CC2 ZINC001173127740 1097337272 /nfs/dbraw/zinc/33/72/72/1097337272.db2.gz CKDOTNXHDKWCCQ-HOTGVXAUSA-N 2 1 319.518 3.245 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC001173168727 1097363029 /nfs/dbraw/zinc/36/30/29/1097363029.db2.gz YNXPFFZQYDGURJ-FAJAVTLNSA-N 2 1 314.473 3.054 20 0 DGADMP C[NH+](C)Cc1ccccc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001229703338 1097367325 /nfs/dbraw/zinc/36/73/25/1097367325.db2.gz YWHLUTGMRNPIGM-IBGZPJMESA-N 2 1 321.424 3.445 20 0 DGADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001173205216 1097379194 /nfs/dbraw/zinc/37/91/94/1097379194.db2.gz NYWNHTQRRWVPDK-YLJYHZDGSA-N 2 1 324.468 3.257 20 0 DGADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001173205216 1097379200 /nfs/dbraw/zinc/37/92/00/1097379200.db2.gz NYWNHTQRRWVPDK-YLJYHZDGSA-N 2 1 324.468 3.257 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)C1 ZINC001173265235 1097388746 /nfs/dbraw/zinc/38/87/46/1097388746.db2.gz HSBLQZNTTPYIGH-GBRKPNRJSA-N 2 1 310.482 3.137 20 0 DGADMP CCc1ccc(C[C@H](C)[N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173237885 1097392565 /nfs/dbraw/zinc/39/25/65/1097392565.db2.gz GETJWINJAMERRJ-SNRMKQJTSA-N 2 1 316.489 3.151 20 0 DGADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)C1 ZINC001173276616 1097409654 /nfs/dbraw/zinc/40/96/54/1097409654.db2.gz JEDZEPFDBLFYHB-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276616 1097409656 /nfs/dbraw/zinc/40/96/56/1097409656.db2.gz JEDZEPFDBLFYHB-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276616 1097409658 /nfs/dbraw/zinc/40/96/58/1097409658.db2.gz JEDZEPFDBLFYHB-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278922 1097411251 /nfs/dbraw/zinc/41/12/51/1097411251.db2.gz IWEVERYBHLPJDB-BTHPGYMESA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278922 1097411254 /nfs/dbraw/zinc/41/12/54/1097411254.db2.gz IWEVERYBHLPJDB-BTHPGYMESA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278922 1097411257 /nfs/dbraw/zinc/41/12/57/1097411257.db2.gz IWEVERYBHLPJDB-BTHPGYMESA-N 2 1 320.521 3.388 20 0 DGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCCC2(CCCCC2)C1 ZINC001173340692 1097422725 /nfs/dbraw/zinc/42/27/25/1097422725.db2.gz FROAYLLCYSTBNR-SFHVURJKSA-N 3 1 309.542 3.482 20 0 DGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCCC2(CCCCC2)C1 ZINC001173340692 1097422728 /nfs/dbraw/zinc/42/27/28/1097422728.db2.gz FROAYLLCYSTBNR-SFHVURJKSA-N 3 1 309.542 3.482 20 0 DGADMP CCN1CC[C@@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173356994 1097431577 /nfs/dbraw/zinc/43/15/77/1097431577.db2.gz HYOXHQZGNMLTLG-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CC[N@H+]1CC[C@H](n2c3ccccc3nc2[C@H]([NH3+])CC(C)C)C1 ZINC001173361130 1097432298 /nfs/dbraw/zinc/43/22/98/1097432298.db2.gz RZZXOQXPCQESAO-LSDHHAIUSA-N 2 1 300.450 3.349 20 0 DGADMP CC[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC001173367722 1097433437 /nfs/dbraw/zinc/43/34/37/1097433437.db2.gz JEVMMCZKRWUPRI-OAQYLSRUSA-N 2 1 323.484 3.052 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173483467 1097447554 /nfs/dbraw/zinc/44/75/54/1097447554.db2.gz RVEPDZXZKCTMKF-UHFFFAOYSA-N 2 1 322.443 3.484 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445548 1097448719 /nfs/dbraw/zinc/44/87/19/1097448719.db2.gz LZFUKFICLOSMAU-XIRDDKMYSA-N 2 1 310.482 3.090 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001173455661 1097452207 /nfs/dbraw/zinc/45/22/07/1097452207.db2.gz SKKHUTDLMWAZSD-ROUUACIJSA-N 2 1 324.509 3.449 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001173458630 1097453359 /nfs/dbraw/zinc/45/33/59/1097453359.db2.gz XCUZIPYXTVJCSA-BZSNNMDCSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173458630 1097453361 /nfs/dbraw/zinc/45/33/61/1097453361.db2.gz XCUZIPYXTVJCSA-BZSNNMDCSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001173458630 1097453363 /nfs/dbraw/zinc/45/33/63/1097453363.db2.gz XCUZIPYXTVJCSA-BZSNNMDCSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629881 1097477688 /nfs/dbraw/zinc/47/76/88/1097477688.db2.gz CMWPWVRMDCIOGR-UOVPBQLFSA-N 2 1 322.493 3.233 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173648769 1097492216 /nfs/dbraw/zinc/49/22/16/1097492216.db2.gz JPZCQCBEZLFGFK-ZWKOTPCHSA-N 2 1 324.509 3.161 20 0 DGADMP [NH3+]CC1([NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173701563 1097497614 /nfs/dbraw/zinc/49/76/14/1097497614.db2.gz BHHLCWIXIINNSE-IBGZPJMESA-N 2 1 322.452 3.204 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001231442708 1097750391 /nfs/dbraw/zinc/75/03/91/1097750391.db2.gz URVWXTLLZLPQHK-OAQYLSRUSA-N 2 1 323.484 3.433 20 0 DGADMP CN(C)c1ccc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001231442708 1097750395 /nfs/dbraw/zinc/75/03/95/1097750395.db2.gz URVWXTLLZLPQHK-OAQYLSRUSA-N 2 1 323.484 3.433 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)ccc2c1 ZINC001231440925 1097750888 /nfs/dbraw/zinc/75/08/88/1097750888.db2.gz KEJSXJNQWHVPAD-UXHICEINSA-N 2 1 323.484 3.289 20 0 DGADMP CN(C)c1ccc2cc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)ccc2c1 ZINC001231440925 1097750893 /nfs/dbraw/zinc/75/08/93/1097750893.db2.gz KEJSXJNQWHVPAD-UXHICEINSA-N 2 1 323.484 3.289 20 0 DGADMP CN(C)c1ccc2cc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)ccc2c1 ZINC001231440925 1097750897 /nfs/dbraw/zinc/75/08/97/1097750897.db2.gz KEJSXJNQWHVPAD-UXHICEINSA-N 2 1 323.484 3.289 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cc(N(C)C)ccc4c3)C[C@@H]2C1 ZINC001231443284 1097752437 /nfs/dbraw/zinc/75/24/37/1097752437.db2.gz HTVLMZLBZADCIY-BGYRXZFFSA-N 2 1 323.484 3.289 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cc(N(C)C)ccc4c3)C[C@@H]2C1 ZINC001231443284 1097752442 /nfs/dbraw/zinc/75/24/42/1097752442.db2.gz HTVLMZLBZADCIY-BGYRXZFFSA-N 2 1 323.484 3.289 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cc(N(C)C)ccc4c3)C[C@@H]2C1 ZINC001231443284 1097752446 /nfs/dbraw/zinc/75/24/46/1097752446.db2.gz HTVLMZLBZADCIY-BGYRXZFFSA-N 2 1 323.484 3.289 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863224 1097871447 /nfs/dbraw/zinc/87/14/47/1097871447.db2.gz JUKDMSHFTTZNRK-KRWDZBQOSA-N 2 1 312.885 3.111 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863224 1097871454 /nfs/dbraw/zinc/87/14/54/1097871454.db2.gz JUKDMSHFTTZNRK-KRWDZBQOSA-N 2 1 312.885 3.111 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863224 1097871463 /nfs/dbraw/zinc/87/14/63/1097871463.db2.gz JUKDMSHFTTZNRK-KRWDZBQOSA-N 2 1 312.885 3.111 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863224 1097871472 /nfs/dbraw/zinc/87/14/72/1097871472.db2.gz JUKDMSHFTTZNRK-KRWDZBQOSA-N 2 1 312.885 3.111 20 0 DGADMP c1[nH]nc2c1cccc2C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231972894 1097903411 /nfs/dbraw/zinc/90/34/11/1097903411.db2.gz YVJZOUUTGODHJB-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)n1 ZINC001232000249 1097911288 /nfs/dbraw/zinc/91/12/88/1097911288.db2.gz HADBUTQWNFUERD-SFTDATJTSA-N 2 1 321.468 3.262 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016549 1097918751 /nfs/dbraw/zinc/91/87/51/1097918751.db2.gz YUUUABDKXZFLLH-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(C1CC[NH+](C)CC1)C2 ZINC001277625242 1097958936 /nfs/dbraw/zinc/95/89/36/1097958936.db2.gz RVRQXYMHVKUDMY-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232385261 1098020256 /nfs/dbraw/zinc/02/02/56/1098020256.db2.gz KEWSHZNBJNQLBR-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(CF)n1 ZINC001232539861 1098071400 /nfs/dbraw/zinc/07/14/00/1098071400.db2.gz RZKTTZFLGBJSGL-ROUUACIJSA-N 2 1 305.441 3.390 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(CF)n1 ZINC001232539861 1098071405 /nfs/dbraw/zinc/07/14/05/1098071405.db2.gz RZKTTZFLGBJSGL-ROUUACIJSA-N 2 1 305.441 3.390 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(CF)n1 ZINC001232539861 1098071410 /nfs/dbraw/zinc/07/14/10/1098071410.db2.gz RZKTTZFLGBJSGL-ROUUACIJSA-N 2 1 305.441 3.390 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(CF)n1 ZINC001232539861 1098071414 /nfs/dbraw/zinc/07/14/14/1098071414.db2.gz RZKTTZFLGBJSGL-ROUUACIJSA-N 2 1 305.441 3.390 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001277680094 1098074915 /nfs/dbraw/zinc/07/49/15/1098074915.db2.gz LBAXAVZQXADJEM-IBGZPJMESA-N 2 1 310.445 3.211 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001277680094 1098074919 /nfs/dbraw/zinc/07/49/19/1098074919.db2.gz LBAXAVZQXADJEM-IBGZPJMESA-N 2 1 310.445 3.211 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001232624641 1098100059 /nfs/dbraw/zinc/10/00/59/1098100059.db2.gz QUAJOARDXJAXIA-INIZCTEOSA-N 2 1 312.413 3.360 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CN(c3cc[nH+]cc3)C[C@@H](C1)O2 ZINC001277693119 1098103768 /nfs/dbraw/zinc/10/37/68/1098103768.db2.gz DZPPVAQGXHCWNZ-YTQUADARSA-N 2 1 317.477 3.187 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2COC[C@H](C1)N2c1cc[nH+]cc1 ZINC001277695278 1098107576 /nfs/dbraw/zinc/10/75/76/1098107576.db2.gz XUIWLDHBEJZQHG-QRQLOZEOSA-N 2 1 317.477 3.187 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC001175965896 1098213619 /nfs/dbraw/zinc/21/36/19/1098213619.db2.gz SQMZCYJOCGEJDP-SFHVURJKSA-N 2 1 308.510 3.268 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176022905 1098234805 /nfs/dbraw/zinc/23/48/05/1098234805.db2.gz CWMZBVHSNJCDOV-KRWDZBQOSA-N 2 1 323.525 3.093 20 0 DGADMP Cn1c[nH+]cc1N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277769936 1098237757 /nfs/dbraw/zinc/23/77/57/1098237757.db2.gz ZNKUFLLDWCYQGP-GOSISDBHSA-N 2 1 302.466 3.045 20 0 DGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001233351041 1098298533 /nfs/dbraw/zinc/29/85/33/1098298533.db2.gz CVSUPBHROJLQFB-OLZOCXBDSA-N 2 1 310.894 3.445 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC ZINC001176268858 1098310275 /nfs/dbraw/zinc/31/02/75/1098310275.db2.gz NLNVPMXCVKATFZ-IAGOWNOFSA-N 2 1 313.530 3.029 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001277807039 1098430075 /nfs/dbraw/zinc/43/00/75/1098430075.db2.gz KKFVVQFVXNGCCY-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP CC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)nn3C)(C1)CCC2 ZINC001277808830 1098434251 /nfs/dbraw/zinc/43/42/51/1098434251.db2.gz XXBYQZNXAUNJSB-OLMNPRSZSA-N 2 1 304.482 3.052 20 0 DGADMP C[N@@H+]1C[C@]23C[NH+](CC[C@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008866 1098462696 /nfs/dbraw/zinc/46/26/96/1098462696.db2.gz PZGHSRXZDWSUNL-SOUVJXGZSA-N 2 1 317.304 3.378 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CC[C@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008866 1098462698 /nfs/dbraw/zinc/46/26/98/1098462698.db2.gz PZGHSRXZDWSUNL-SOUVJXGZSA-N 2 1 317.304 3.378 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CC[C@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008866 1098462701 /nfs/dbraw/zinc/46/27/01/1098462701.db2.gz PZGHSRXZDWSUNL-SOUVJXGZSA-N 2 1 317.304 3.378 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CC[C@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008866 1098462703 /nfs/dbraw/zinc/46/27/03/1098462703.db2.gz PZGHSRXZDWSUNL-SOUVJXGZSA-N 2 1 317.304 3.378 20 0 DGADMP CC[N@H+]1CCC[C@H]1CNCC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001177066259 1098470394 /nfs/dbraw/zinc/47/03/94/1098470394.db2.gz OUGIPLVVHYBZQH-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+]1CCC[C@H]1CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177066259 1098470396 /nfs/dbraw/zinc/47/03/96/1098470396.db2.gz OUGIPLVVHYBZQH-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+]1CCC[C@H]1CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001177066259 1098470398 /nfs/dbraw/zinc/47/03/98/1098470398.db2.gz OUGIPLVVHYBZQH-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CCN1CCC[C@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177066259 1098470400 /nfs/dbraw/zinc/47/04/00/1098470400.db2.gz OUGIPLVVHYBZQH-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CCN1CCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001177066259 1098470401 /nfs/dbraw/zinc/47/04/01/1098470401.db2.gz OUGIPLVVHYBZQH-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OC ZINC001177133070 1098481859 /nfs/dbraw/zinc/48/18/59/1098481859.db2.gz RGPDOBCGQANACQ-MRXNPFEDSA-N 2 1 320.477 3.448 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC001177199346 1098487941 /nfs/dbraw/zinc/48/79/41/1098487941.db2.gz IUHSTGCEMHPBML-UHFFFAOYSA-N 2 1 320.868 3.198 20 0 DGADMP CCc1oc2ccccc2c1C[NH2+]CCC[N@@H+](C)CCOC ZINC001177244945 1098501599 /nfs/dbraw/zinc/50/15/99/1098501599.db2.gz JUONMSWPYMFEAE-UHFFFAOYSA-N 2 1 304.434 3.053 20 0 DGADMP COc1cc(C)ccc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001177295221 1098505660 /nfs/dbraw/zinc/50/56/60/1098505660.db2.gz ZTRVBUWSNWKJOU-CALCHBBNSA-N 2 1 304.478 3.461 20 0 DGADMP COc1cc(C)ccc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001177295221 1098505663 /nfs/dbraw/zinc/50/56/63/1098505663.db2.gz ZTRVBUWSNWKJOU-CALCHBBNSA-N 2 1 304.478 3.461 20 0 DGADMP CC(C)(C)C(=O)C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277847963 1098539069 /nfs/dbraw/zinc/53/90/69/1098539069.db2.gz MJIQDUCIWWRBCO-UHFFFAOYSA-N 2 1 306.494 3.332 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001177744658 1098597676 /nfs/dbraw/zinc/59/76/76/1098597676.db2.gz YUIXNKPOICHYTO-OAHLLOKOSA-N 2 1 307.457 3.102 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001177744658 1098597685 /nfs/dbraw/zinc/59/76/85/1098597685.db2.gz YUIXNKPOICHYTO-OAHLLOKOSA-N 2 1 307.457 3.102 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001206317072 1098708315 /nfs/dbraw/zinc/70/83/15/1098708315.db2.gz CERSIBUDJUTMTL-HNNXBMFYSA-N 2 1 316.367 3.362 20 0 DGADMP Fc1ccc(Oc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234979866 1098734722 /nfs/dbraw/zinc/73/47/22/1098734722.db2.gz SNCDGJMESDGKLE-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP Fc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234979866 1098734727 /nfs/dbraw/zinc/73/47/27/1098734727.db2.gz SNCDGJMESDGKLE-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP Clc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001234990686 1098735895 /nfs/dbraw/zinc/73/58/95/1098735895.db2.gz DENDYTRXZSRNLD-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001234990686 1098735906 /nfs/dbraw/zinc/73/59/06/1098735906.db2.gz DENDYTRXZSRNLD-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997426 1098740326 /nfs/dbraw/zinc/74/03/26/1098740326.db2.gz CKLVNHJRNVRRSC-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997426 1098740335 /nfs/dbraw/zinc/74/03/35/1098740335.db2.gz CKLVNHJRNVRRSC-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP c1ccc2cc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008821 1098749281 /nfs/dbraw/zinc/74/92/81/1098749281.db2.gz VMPDOCCYKHTRFP-HXUWFJFHSA-N 2 1 310.441 3.042 20 0 DGADMP c1ccc2cc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008821 1098749295 /nfs/dbraw/zinc/74/92/95/1098749295.db2.gz VMPDOCCYKHTRFP-HXUWFJFHSA-N 2 1 310.441 3.042 20 0 DGADMP Cc1c(C)c(C)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235036924 1098767903 /nfs/dbraw/zinc/76/79/03/1098767903.db2.gz PQJGEGQVVOCSTR-UYAOXDASSA-N 2 1 316.489 3.039 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039128 1098767990 /nfs/dbraw/zinc/76/79/90/1098767990.db2.gz UFROWUVDNPDBJX-OKZBNKHCSA-N 2 1 306.494 3.090 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039128 1098767997 /nfs/dbraw/zinc/76/79/97/1098767997.db2.gz UFROWUVDNPDBJX-OKZBNKHCSA-N 2 1 306.494 3.090 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001206325763 1098786143 /nfs/dbraw/zinc/78/61/43/1098786143.db2.gz JJDYRKBCBWUVGY-MRXNPFEDSA-N 2 1 316.367 3.378 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1C ZINC001235086909 1098791740 /nfs/dbraw/zinc/79/17/40/1098791740.db2.gz GBBDWILZHGTNPG-KRWDZBQOSA-N 2 1 308.416 3.433 20 0 DGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235091845 1098793497 /nfs/dbraw/zinc/79/34/97/1098793497.db2.gz HTTIFHROXWHAKB-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235091845 1098793510 /nfs/dbraw/zinc/79/35/10/1098793510.db2.gz HTTIFHROXWHAKB-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001235110659 1098811355 /nfs/dbraw/zinc/81/13/55/1098811355.db2.gz LFYKEZPBYWMLCQ-ICSRJNTNSA-N 2 1 320.521 3.482 20 0 DGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235117218 1098819411 /nfs/dbraw/zinc/81/94/11/1098819411.db2.gz KUIDVIHPSOOSJH-SFHVURJKSA-N 2 1 316.470 3.164 20 0 DGADMP c1ccc(COCCCC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125432 1098823131 /nfs/dbraw/zinc/82/31/31/1098823131.db2.gz POAOYWJSXGSRPH-LJQANCHMSA-N 2 1 302.462 3.201 20 0 DGADMP c1ccc(COCCCC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125432 1098823141 /nfs/dbraw/zinc/82/31/41/1098823141.db2.gz POAOYWJSXGSRPH-LJQANCHMSA-N 2 1 302.462 3.201 20 0 DGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235132111 1098828491 /nfs/dbraw/zinc/82/84/91/1098828491.db2.gz FTXKASKSFFPARX-UHFFFAOYSA-N 2 1 323.868 3.099 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235139786 1098834148 /nfs/dbraw/zinc/83/41/48/1098834148.db2.gz DGPXKBKWBYHNDV-UHFFFAOYSA-N 2 1 314.351 3.303 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235145890 1098836251 /nfs/dbraw/zinc/83/62/51/1098836251.db2.gz XOPQCPZVDQUUNE-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235145890 1098836258 /nfs/dbraw/zinc/83/62/58/1098836258.db2.gz XOPQCPZVDQUUNE-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP C[C@@H](C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)OCc1ccccc1 ZINC001235152390 1098836888 /nfs/dbraw/zinc/83/68/88/1098836888.db2.gz MOVQIUZRZTUPNW-PXNSSMCTSA-N 2 1 316.489 3.446 20 0 DGADMP COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1C ZINC001235154079 1098840036 /nfs/dbraw/zinc/84/00/36/1098840036.db2.gz HWXAQBVWMSFQDE-GOSISDBHSA-N 2 1 317.477 3.061 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235155281 1098842781 /nfs/dbraw/zinc/84/27/81/1098842781.db2.gz NWNHONZHRHWHGH-LJQANCHMSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2[nH]nc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235155281 1098842790 /nfs/dbraw/zinc/84/27/90/1098842790.db2.gz NWNHONZHRHWHGH-LJQANCHMSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2[nH]nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235155281 1098842797 /nfs/dbraw/zinc/84/27/97/1098842797.db2.gz NWNHONZHRHWHGH-LJQANCHMSA-N 2 1 312.461 3.225 20 0 DGADMP Oc1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1Cl ZINC001235157600 1098844136 /nfs/dbraw/zinc/84/41/36/1098844136.db2.gz JSONDPVLOXRAJM-INIZCTEOSA-N 2 1 308.853 3.400 20 0 DGADMP Oc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1Cl ZINC001235157600 1098844143 /nfs/dbraw/zinc/84/41/43/1098844143.db2.gz JSONDPVLOXRAJM-INIZCTEOSA-N 2 1 308.853 3.400 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235158077 1098844335 /nfs/dbraw/zinc/84/43/35/1098844335.db2.gz UHHCHZSXUICLKE-QGZVFWFLSA-N 2 1 306.425 3.188 20 0 DGADMP Oc1cc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235163076 1098848926 /nfs/dbraw/zinc/84/89/26/1098848926.db2.gz ZPDNFAOHCLDVLM-QGZVFWFLSA-N 2 1 310.388 3.025 20 0 DGADMP Cn1ccc(-c2ccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)cc2)n1 ZINC001235172876 1098854911 /nfs/dbraw/zinc/85/49/11/1098854911.db2.gz CUKXEMYXGRFESP-HXUWFJFHSA-N 2 1 324.472 3.195 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cc2)n1 ZINC001235172876 1098854920 /nfs/dbraw/zinc/85/49/20/1098854920.db2.gz CUKXEMYXGRFESP-HXUWFJFHSA-N 2 1 324.472 3.195 20 0 DGADMP Clc1ccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001235186263 1098862543 /nfs/dbraw/zinc/86/25/43/1098862543.db2.gz GNXUFCBCYVILLC-KGLIPLIRSA-N 2 1 313.272 3.467 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235183707 1098863004 /nfs/dbraw/zinc/86/30/04/1098863004.db2.gz FLDKSFXNOHWGCU-OLZOCXBDSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235183707 1098862995 /nfs/dbraw/zinc/86/29/95/1098862995.db2.gz FLDKSFXNOHWGCU-OLZOCXBDSA-N 2 1 316.392 3.340 20 0 DGADMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](C1CCCC1)CC2 ZINC001277930963 1098878191 /nfs/dbraw/zinc/87/81/91/1098878191.db2.gz YDEOKRWOZBCMOH-UHFFFAOYSA-N 2 1 316.493 3.134 20 0 DGADMP Fc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc(F)c1F ZINC001235229333 1098904295 /nfs/dbraw/zinc/90/42/95/1098904295.db2.gz LFHFFJPXAXXVGR-MRXNPFEDSA-N 2 1 312.379 3.458 20 0 DGADMP COc1ccnc(Cl)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235242631 1098915275 /nfs/dbraw/zinc/91/52/75/1098915275.db2.gz SRJASZKAQNOXGE-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(O)cc3)cc1)C2 ZINC001235248185 1098920658 /nfs/dbraw/zinc/92/06/58/1098920658.db2.gz PBCKKTRATIEYDE-UYAOXDASSA-N 2 1 308.425 3.372 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(O)cc3)cc1)C2 ZINC001235248185 1098920669 /nfs/dbraw/zinc/92/06/69/1098920669.db2.gz PBCKKTRATIEYDE-UYAOXDASSA-N 2 1 308.425 3.372 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235258245 1098929839 /nfs/dbraw/zinc/92/98/39/1098929839.db2.gz PPXDVYJBGJNQHU-PZJWPPBQSA-N 2 1 321.468 3.213 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235258245 1098929846 /nfs/dbraw/zinc/92/98/46/1098929846.db2.gz PPXDVYJBGJNQHU-PZJWPPBQSA-N 2 1 321.468 3.213 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235262337 1098934359 /nfs/dbraw/zinc/93/43/59/1098934359.db2.gz LABIIXUHBSHQFC-ICSRJNTNSA-N 2 1 308.425 3.243 20 0 DGADMP c1ccc(CCc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235264493 1098935611 /nfs/dbraw/zinc/93/56/11/1098935611.db2.gz YJJSARLCLRPZGE-RTWAWAEBSA-N 2 1 306.453 3.266 20 0 DGADMP c1ccc(CCc2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235264493 1098935622 /nfs/dbraw/zinc/93/56/22/1098935622.db2.gz YJJSARLCLRPZGE-RTWAWAEBSA-N 2 1 306.453 3.266 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264068 1098935642 /nfs/dbraw/zinc/93/56/42/1098935642.db2.gz VWXHIOLNJQUBLI-ICSRJNTNSA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264068 1098935646 /nfs/dbraw/zinc/93/56/46/1098935646.db2.gz VWXHIOLNJQUBLI-ICSRJNTNSA-N 2 1 308.425 3.156 20 0 DGADMP Fc1c(Cl)cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235340010 1098965393 /nfs/dbraw/zinc/96/53/93/1098965393.db2.gz GLVHITDOIPYOFK-JTQLQIEISA-N 2 1 303.208 3.174 20 0 DGADMP Fc1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341197 1098965463 /nfs/dbraw/zinc/96/54/63/1098965463.db2.gz PAGXENGLEKUXSY-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP Fc1cc(Cl)cc(Cl)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341197 1098965474 /nfs/dbraw/zinc/96/54/74/1098965474.db2.gz PAGXENGLEKUXSY-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235360917 1098979510 /nfs/dbraw/zinc/97/95/10/1098979510.db2.gz DCVYYBAZHHQKAR-FCHUYYIVSA-N 2 1 320.480 3.482 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235362651 1098979962 /nfs/dbraw/zinc/97/99/62/1098979962.db2.gz HEVMZPFORKMBBI-FPOVZHCZSA-N 2 1 322.452 3.145 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235362651 1098979971 /nfs/dbraw/zinc/97/99/71/1098979971.db2.gz HEVMZPFORKMBBI-FPOVZHCZSA-N 2 1 322.452 3.145 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)o1 ZINC001235369393 1098984524 /nfs/dbraw/zinc/98/45/24/1098984524.db2.gz YNXTXMGNOPLYBJ-AZUAARDMSA-N 2 1 310.441 3.341 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)o1 ZINC001235369393 1098984530 /nfs/dbraw/zinc/98/45/30/1098984530.db2.gz YNXTXMGNOPLYBJ-AZUAARDMSA-N 2 1 310.441 3.341 20 0 DGADMP [NH3+]CCCCCCN1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001235381164 1098987293 /nfs/dbraw/zinc/98/72/93/1098987293.db2.gz BNUSLDRIAUSQHR-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP Fc1ccccc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379256 1098987416 /nfs/dbraw/zinc/98/74/16/1098987416.db2.gz MRPREIQLMGQHCY-QUCCMNQESA-N 2 1 310.416 3.405 20 0 DGADMP Fc1ccccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379256 1098987426 /nfs/dbraw/zinc/98/74/26/1098987426.db2.gz MRPREIQLMGQHCY-QUCCMNQESA-N 2 1 310.416 3.405 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1O ZINC001235377935 1098987500 /nfs/dbraw/zinc/98/75/00/1098987500.db2.gz WNESYOPLAADBQW-CTNGQTDRSA-N 2 1 322.452 3.280 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1O ZINC001235377935 1098987508 /nfs/dbraw/zinc/98/75/08/1098987508.db2.gz WNESYOPLAADBQW-CTNGQTDRSA-N 2 1 322.452 3.280 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235380757 1098988191 /nfs/dbraw/zinc/98/81/91/1098988191.db2.gz KQMCJXBYPIKIQT-PZJWPPBQSA-N 2 1 321.468 3.022 20 0 DGADMP [NH3+]C1([C@H]2C[N@@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2CF)CC1 ZINC001235396416 1098993543 /nfs/dbraw/zinc/99/35/43/1098993543.db2.gz JQLKQJGNLUPRKA-AAEUAGOBSA-N 2 1 321.827 3.330 20 0 DGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1C ZINC001235400549 1098996933 /nfs/dbraw/zinc/99/69/33/1098996933.db2.gz KHLDDZIQWHRFND-IRXDYDNUSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1C ZINC001235400549 1098996940 /nfs/dbraw/zinc/99/69/40/1098996940.db2.gz KHLDDZIQWHRFND-IRXDYDNUSA-N 2 1 310.844 3.480 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401871 1098997183 /nfs/dbraw/zinc/99/71/83/1098997183.db2.gz IDDRTPVWVFZREF-MOPGFXCFSA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401871 1098997190 /nfs/dbraw/zinc/99/71/90/1098997190.db2.gz IDDRTPVWVFZREF-MOPGFXCFSA-N 2 1 320.452 3.389 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235404981 1099002205 /nfs/dbraw/zinc/00/22/05/1099002205.db2.gz OMZWLFPUWVLPAY-MOPGFXCFSA-N 2 1 304.453 3.376 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001235406099 1099002809 /nfs/dbraw/zinc/00/28/09/1099002809.db2.gz PUXFHDKSPJYVRG-IAGOWNOFSA-N 2 1 304.434 3.425 20 0 DGADMP Fc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235422227 1099012867 /nfs/dbraw/zinc/01/28/67/1099012867.db2.gz AGLKTIJNPNCWGT-ROUUACIJSA-N 2 1 304.453 3.470 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235422613 1099013187 /nfs/dbraw/zinc/01/31/87/1099013187.db2.gz DFCOENQSCRKUPH-LSDHHAIUSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235425401 1099015645 /nfs/dbraw/zinc/01/56/45/1099015645.db2.gz IZEQBVGKGDLZLL-HOTGVXAUSA-N 2 1 308.416 3.485 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424491 1099015779 /nfs/dbraw/zinc/01/57/79/1099015779.db2.gz IGSZOTYRPLDUOV-ROUUACIJSA-N 2 1 302.462 3.215 20 0 DGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426789 1099018201 /nfs/dbraw/zinc/01/82/01/1099018201.db2.gz LJZGCNHPYRYIRN-IAGOWNOFSA-N 2 1 311.473 3.390 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235425589 1099019764 /nfs/dbraw/zinc/01/97/64/1099019764.db2.gz MACGIMPADRDBEY-LSDHHAIUSA-N 2 1 308.416 3.485 20 0 DGADMP Oc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428533 1099021113 /nfs/dbraw/zinc/02/11/13/1099021113.db2.gz OOKVAPNLJPPSAL-GJZGRUSLSA-N 2 1 308.853 3.257 20 0 DGADMP Oc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428533 1099021125 /nfs/dbraw/zinc/02/11/25/1099021125.db2.gz OOKVAPNLJPPSAL-GJZGRUSLSA-N 2 1 308.853 3.257 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429149 1099022575 /nfs/dbraw/zinc/02/25/75/1099022575.db2.gz POLARPXHJMUDIE-IAGOWNOFSA-N 2 1 302.462 3.221 20 0 DGADMP CSc1ncc(C)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430085 1099024349 /nfs/dbraw/zinc/02/43/49/1099024349.db2.gz DFLXYUDTJLUMOD-CVEARBPZSA-N 2 1 319.518 3.324 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(C)c1O ZINC001235429741 1099024399 /nfs/dbraw/zinc/02/43/99/1099024399.db2.gz REUJRZIADPKJGZ-ROUUACIJSA-N 2 1 302.462 3.221 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235430346 1099025476 /nfs/dbraw/zinc/02/54/76/1099025476.db2.gz WUEDHXXNJVHXEW-SJORKVTESA-N 2 1 320.452 3.436 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430459 1099026657 /nfs/dbraw/zinc/02/66/57/1099026657.db2.gz TUWNDNIUFGNDPH-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432388 1099029093 /nfs/dbraw/zinc/02/90/93/1099029093.db2.gz XFNWOPNBJKGQNB-HUUCEWRRSA-N 2 1 308.416 3.485 20 0 DGADMP c1cnc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235431781 1099030072 /nfs/dbraw/zinc/03/00/72/1099030072.db2.gz VTMVXLOSAFQTJT-RBUKOAKNSA-N 2 1 309.457 3.446 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Br)c2ccccc12 ZINC001235435221 1099030987 /nfs/dbraw/zinc/03/09/87/1099030987.db2.gz CQQSZUPGUSGLRV-UHFFFAOYSA-N 2 1 307.235 3.383 20 0 DGADMP C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1F)CC1CC[NH2+]CC1 ZINC001235433000 1099032337 /nfs/dbraw/zinc/03/23/37/1099032337.db2.gz DCRAGHFLZKJNPQ-UHFFFAOYSA-N 2 1 322.321 3.415 20 0 DGADMP CCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238288 1099043864 /nfs/dbraw/zinc/04/38/64/1099043864.db2.gz JNJYVNVBMIXBFK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238288 1099043876 /nfs/dbraw/zinc/04/38/76/1099043876.db2.gz JNJYVNVBMIXBFK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238288 1099043889 /nfs/dbraw/zinc/04/38/89/1099043889.db2.gz JNJYVNVBMIXBFK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238288 1099043902 /nfs/dbraw/zinc/04/39/02/1099043902.db2.gz JNJYVNVBMIXBFK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP FC1(F)Oc2ccc(CNC[C@H]3CC[N@@H+]3C3CCCC3)cc2O1 ZINC001179314800 1099067789 /nfs/dbraw/zinc/06/77/89/1099067789.db2.gz DYEDCPLTBGEVPV-CQSZACIVSA-N 2 1 324.371 3.115 20 0 DGADMP FC1(F)Oc2ccc(CNC[C@H]3CC[N@H+]3C3CCCC3)cc2O1 ZINC001179314800 1099067803 /nfs/dbraw/zinc/06/78/03/1099067803.db2.gz DYEDCPLTBGEVPV-CQSZACIVSA-N 2 1 324.371 3.115 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OCC ZINC000069058163 1099073997 /nfs/dbraw/zinc/07/39/97/1099073997.db2.gz APSDJRYCYRUDDH-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCCCO)C[C@@H]21 ZINC001235561412 1099085409 /nfs/dbraw/zinc/08/54/09/1099085409.db2.gz UTAANRXESDUOTP-BPQIPLTHSA-N 2 1 322.518 3.053 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCCCO)C[C@@H]21 ZINC001235561412 1099085419 /nfs/dbraw/zinc/08/54/19/1099085419.db2.gz UTAANRXESDUOTP-BPQIPLTHSA-N 2 1 322.518 3.053 20 0 DGADMP C[C@@H]([NH3+])C[NH+]1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 ZINC001235631627 1099103102 /nfs/dbraw/zinc/10/31/02/1099103102.db2.gz LECXWLWJHBMQKC-MRXNPFEDSA-N 2 1 321.468 3.376 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235676119 1099119907 /nfs/dbraw/zinc/11/99/07/1099119907.db2.gz WUYCYLHMSQMFQQ-LJQANCHMSA-N 2 1 308.425 3.252 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001235677288 1099120620 /nfs/dbraw/zinc/12/06/20/1099120620.db2.gz AVFGDZKAAFMFFX-UHFFFAOYSA-N 2 1 303.233 3.130 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cccc(C[NH3+])c3)C2)cc1 ZINC001235687872 1099129185 /nfs/dbraw/zinc/12/91/85/1099129185.db2.gz KKYGIHSEUZRUEU-HXUWFJFHSA-N 2 1 310.441 3.497 20 0 DGADMP c1ccc(OC2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)nc1 ZINC001235695473 1099132730 /nfs/dbraw/zinc/13/27/30/1099132730.db2.gz VBIIDYZMDXYPPY-UHFFFAOYSA-N 2 1 317.477 3.237 20 0 DGADMP Cc1ccc2[nH]nc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c2c1 ZINC001235702318 1099136615 /nfs/dbraw/zinc/13/66/15/1099136615.db2.gz RUPCOARCJKTRMP-UHFFFAOYSA-N 2 1 312.461 3.083 20 0 DGADMP CC(C)(C)OC(=O)C1CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC001235712625 1099141757 /nfs/dbraw/zinc/14/17/57/1099141757.db2.gz BPOMPLQWNDBOLK-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715896 1099143498 /nfs/dbraw/zinc/14/34/98/1099143498.db2.gz XGEFEBLEHQBRNG-OIISXLGYSA-N 2 1 308.416 3.042 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715896 1099143502 /nfs/dbraw/zinc/14/35/02/1099143502.db2.gz XGEFEBLEHQBRNG-OIISXLGYSA-N 2 1 308.416 3.042 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715894 1099143759 /nfs/dbraw/zinc/14/37/59/1099143759.db2.gz XGEFEBLEHQBRNG-DJIMGWMZSA-N 2 1 308.416 3.042 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715894 1099143764 /nfs/dbraw/zinc/14/37/64/1099143764.db2.gz XGEFEBLEHQBRNG-DJIMGWMZSA-N 2 1 308.416 3.042 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)c(F)c1F ZINC001235717916 1099143803 /nfs/dbraw/zinc/14/38/03/1099143803.db2.gz PIOIZCVXQXXCCU-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP c1ccc(C[C@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235715889 1099144215 /nfs/dbraw/zinc/14/42/15/1099144215.db2.gz XBBZBTCQBZXPKF-LJQANCHMSA-N 2 1 306.453 3.397 20 0 DGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)ccc(F)c1Cl ZINC001235716952 1099144288 /nfs/dbraw/zinc/14/42/88/1099144288.db2.gz OORGLHPYAADBMS-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)ccc(F)c1Cl ZINC001235716952 1099144292 /nfs/dbraw/zinc/14/42/92/1099144292.db2.gz OORGLHPYAADBMS-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC(F)F)c(F)c1 ZINC001235718295 1099145963 /nfs/dbraw/zinc/14/59/63/1099145963.db2.gz WOWVKJVJIQHGOL-UHFFFAOYSA-N 2 1 316.367 3.249 20 0 DGADMP Fc1ccccc1[C@@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235724100 1099147806 /nfs/dbraw/zinc/14/78/06/1099147806.db2.gz BREHXUHRQCCHIP-MRXNPFEDSA-N 2 1 302.437 3.395 20 0 DGADMP CN(c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1)c1ccccc1F ZINC001235748667 1099163645 /nfs/dbraw/zinc/16/36/45/1099163645.db2.gz DIEAPIREIFZFJJ-INIZCTEOSA-N 2 1 313.420 3.374 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001235750658 1099163918 /nfs/dbraw/zinc/16/39/18/1099163918.db2.gz RFJKOAIZPYJKTJ-HNNXBMFYSA-N 2 1 300.377 3.399 20 0 DGADMP CC[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C1CC[NH2+]CC1 ZINC001235765263 1099170116 /nfs/dbraw/zinc/17/01/16/1099170116.db2.gz VLKOHRYFGWICSW-UHFFFAOYSA-N 2 1 319.836 3.168 20 0 DGADMP CC[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C1CC[NH2+]CC1 ZINC001235765263 1099170117 /nfs/dbraw/zinc/17/01/17/1099170117.db2.gz VLKOHRYFGWICSW-UHFFFAOYSA-N 2 1 319.836 3.168 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235789973 1099180039 /nfs/dbraw/zinc/18/00/39/1099180039.db2.gz PMGGTJLPXOQRQP-KRWDZBQOSA-N 2 1 321.896 3.018 20 0 DGADMP C[NH+]1CCC(C)(CN2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235789973 1099180043 /nfs/dbraw/zinc/18/00/43/1099180043.db2.gz PMGGTJLPXOQRQP-KRWDZBQOSA-N 2 1 321.896 3.018 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc(C)c1Br ZINC001235841412 1099204626 /nfs/dbraw/zinc/20/46/26/1099204626.db2.gz FKEHAAOMNDHRGN-CYBMUJFWSA-N 2 1 311.267 3.107 20 0 DGADMP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235842896 1099206730 /nfs/dbraw/zinc/20/67/30/1099206730.db2.gz TXHGYRJDWSSUSJ-JTQLQIEISA-N 2 1 306.759 3.400 20 0 DGADMP C[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235842896 1099206737 /nfs/dbraw/zinc/20/67/37/1099206737.db2.gz TXHGYRJDWSSUSJ-JTQLQIEISA-N 2 1 306.759 3.400 20 0 DGADMP CCCCn1nc(C)c(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1Cl ZINC001179816537 1099212514 /nfs/dbraw/zinc/21/25/14/1099212514.db2.gz MEDNWOUQLBOJRV-VNQPRFMTSA-N 2 1 324.900 3.075 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235854026 1099214690 /nfs/dbraw/zinc/21/46/90/1099214690.db2.gz LRXDRSSEGZLNTG-MOPGFXCFSA-N 2 1 313.489 3.108 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1OC1CCCC1 ZINC001235925271 1099261144 /nfs/dbraw/zinc/26/11/44/1099261144.db2.gz ONWNJLINQOCQTN-INIZCTEOSA-N 2 1 318.461 3.330 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001235925590 1099261370 /nfs/dbraw/zinc/26/13/70/1099261370.db2.gz LMSSMRPXMKQKRI-INIZCTEOSA-N 2 1 312.413 3.498 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001235924908 1099261804 /nfs/dbraw/zinc/26/18/04/1099261804.db2.gz BXOXAVWXJXTMKJ-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001235924908 1099261811 /nfs/dbraw/zinc/26/18/11/1099261811.db2.gz BXOXAVWXJXTMKJ-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC001235929094 1099264623 /nfs/dbraw/zinc/26/46/23/1099264623.db2.gz HRDUAAOICQPXRI-IPMKNSEASA-N 2 1 320.521 3.195 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235929119 1099265317 /nfs/dbraw/zinc/26/53/17/1099265317.db2.gz IFUBASBYKLGLCI-HUUCEWRRSA-N 2 1 312.379 3.179 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235935764 1099269820 /nfs/dbraw/zinc/26/98/20/1099269820.db2.gz WTJDCCTXFIAWFQ-IVMMDQJWSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235935764 1099269828 /nfs/dbraw/zinc/26/98/28/1099269828.db2.gz WTJDCCTXFIAWFQ-IVMMDQJWSA-N 2 1 312.379 3.106 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235936262 1099271117 /nfs/dbraw/zinc/27/11/17/1099271117.db2.gz GIINPFJMMPZONY-NWDGAFQWSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235936262 1099271126 /nfs/dbraw/zinc/27/11/26/1099271126.db2.gz GIINPFJMMPZONY-NWDGAFQWSA-N 2 1 318.770 3.400 20 0 DGADMP COCCC[N@@H+](Cc1cc(C)c(F)c(C)c1)C1CC[NH2+]CC1 ZINC001235936977 1099272824 /nfs/dbraw/zinc/27/28/24/1099272824.db2.gz IOEQSLGVOZEEJC-UHFFFAOYSA-N 2 1 308.441 3.033 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235936937 1099273408 /nfs/dbraw/zinc/27/34/08/1099273408.db2.gz OBYHTUOREOUCBJ-DLBZAZTESA-N 2 1 302.462 3.132 20 0 DGADMP COCCC[N@@H+](Cc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC001235936984 1099273472 /nfs/dbraw/zinc/27/34/72/1099273472.db2.gz IQAYPJJHJSVETR-UHFFFAOYSA-N 2 1 312.457 3.430 20 0 DGADMP COCCC[N@@H+](Cc1cc(C)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001235940059 1099274399 /nfs/dbraw/zinc/27/43/99/1099274399.db2.gz OLJGAQMNFZRCPZ-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCC[N@@H+](Cc1c(C)sc2ccccc21)C1CC[NH2+]CC1 ZINC001235944433 1099278055 /nfs/dbraw/zinc/27/80/55/1099278055.db2.gz NVEPODFEJQJCCU-UHFFFAOYSA-N 2 1 318.486 3.410 20 0 DGADMP COCC[N@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH2+]CC1 ZINC001235945187 1099278245 /nfs/dbraw/zinc/27/82/45/1099278245.db2.gz URNYZANTEHXAPI-UHFFFAOYSA-N 2 1 321.852 3.022 20 0 DGADMP COCC[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH2+]CC1 ZINC001235945187 1099278250 /nfs/dbraw/zinc/27/82/50/1099278250.db2.gz URNYZANTEHXAPI-UHFFFAOYSA-N 2 1 321.852 3.022 20 0 DGADMP CCCCOc1ccc(C[N@H+](CCOC)C2CC[NH2+]CC2)cc1 ZINC001235945174 1099278694 /nfs/dbraw/zinc/27/86/94/1099278694.db2.gz BLUNYHDTHFLDGH-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CCCCOc1ccc(C[N@@H+](CCOC)C2CC[NH2+]CC2)cc1 ZINC001235945174 1099278696 /nfs/dbraw/zinc/27/86/96/1099278696.db2.gz BLUNYHDTHFLDGH-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP Clc1ccc([C@@H]2CC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235947786 1099281686 /nfs/dbraw/zinc/28/16/86/1099281686.db2.gz KZEGDHFMPRATOA-OAHLLOKOSA-N 2 1 315.848 3.234 20 0 DGADMP CCN(CC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947497 1099281771 /nfs/dbraw/zinc/28/17/71/1099281771.db2.gz CNJNYTFRFBOVJK-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949318 1099282221 /nfs/dbraw/zinc/28/22/21/1099282221.db2.gz DOGLVQRQUFWTFK-XPKDYRNWSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949318 1099282232 /nfs/dbraw/zinc/28/22/32/1099282232.db2.gz DOGLVQRQUFWTFK-XPKDYRNWSA-N 2 1 312.379 3.106 20 0 DGADMP COc1ccc2c(OC)ccc(C[N@H+](CC[NH3+])C(C)C)c2c1 ZINC001235948754 1099283162 /nfs/dbraw/zinc/28/31/62/1099283162.db2.gz UILMLVFEHRLKPO-UHFFFAOYSA-N 2 1 302.418 3.026 20 0 DGADMP COc1ccc2c(OC)ccc(C[N@@H+](CC[NH3+])C(C)C)c2c1 ZINC001235948754 1099283165 /nfs/dbraw/zinc/28/31/65/1099283165.db2.gz UILMLVFEHRLKPO-UHFFFAOYSA-N 2 1 302.418 3.026 20 0 DGADMP Fc1ccc([C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235949966 1099283762 /nfs/dbraw/zinc/28/37/62/1099283762.db2.gz XZHRMQBLYLHNCF-QGZVFWFLSA-N 2 1 302.437 3.395 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001235950866 1099284309 /nfs/dbraw/zinc/28/43/09/1099284309.db2.gz NZKQXLONXGMWHK-CYBMUJFWSA-N 2 1 303.837 3.438 20 0 DGADMP C[N@@H+](Cc1cccn1-c1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235950899 1099285123 /nfs/dbraw/zinc/28/51/23/1099285123.db2.gz PCGXVTVZVSPRMH-OAHLLOKOSA-N 2 1 301.409 3.048 20 0 DGADMP C[N@H+](Cc1cccn1-c1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235950899 1099285131 /nfs/dbraw/zinc/28/51/31/1099285131.db2.gz PCGXVTVZVSPRMH-OAHLLOKOSA-N 2 1 301.409 3.048 20 0 DGADMP C[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC001235952584 1099285280 /nfs/dbraw/zinc/28/52/80/1099285280.db2.gz ZSKNLGSLBBNZCS-GFCCVEGCSA-N 2 1 301.261 3.467 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235958027 1099289125 /nfs/dbraw/zinc/28/91/25/1099289125.db2.gz CBBHWFLDLCVHML-IEBWSBKVSA-N 2 1 302.462 3.057 20 0 DGADMP CC[N@@H+](Cc1ccccc1F)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235959935 1099291314 /nfs/dbraw/zinc/29/13/14/1099291314.db2.gz FDTNZUQDENAESM-OCCSQVGLSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccccc1F)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235959935 1099291320 /nfs/dbraw/zinc/29/13/20/1099291320.db2.gz FDTNZUQDENAESM-OCCSQVGLSA-N 2 1 300.368 3.138 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235959408 1099292056 /nfs/dbraw/zinc/29/20/56/1099292056.db2.gz PNELCBBWZSYQFC-CEQLMSFQSA-N 2 1 322.452 3.435 20 0 DGADMP c1cc2n(c1C[N@H+]1CCC[C@H](c3ccccc3)CC1)CC[NH2+]C2 ZINC001235958987 1099292706 /nfs/dbraw/zinc/29/27/06/1099292706.db2.gz DRUFIMSVQDSWDD-SFHVURJKSA-N 2 1 309.457 3.361 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235962691 1099294151 /nfs/dbraw/zinc/29/41/51/1099294151.db2.gz OZPBDYFQWOSKOI-XJKSGUPXSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235962691 1099294155 /nfs/dbraw/zinc/29/41/55/1099294155.db2.gz OZPBDYFQWOSKOI-XJKSGUPXSA-N 2 1 312.404 3.008 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1C(C)C ZINC001235960693 1099294868 /nfs/dbraw/zinc/29/48/68/1099294868.db2.gz XAMVQURSAQTYRN-CCWDJLKJSA-N 2 1 302.462 3.296 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235979849 1099308692 /nfs/dbraw/zinc/30/86/92/1099308692.db2.gz LICUWXPXPBNXOO-UYAOXDASSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235979849 1099308704 /nfs/dbraw/zinc/30/87/04/1099308704.db2.gz LICUWXPXPBNXOO-UYAOXDASSA-N 2 1 308.425 3.285 20 0 DGADMP Cc1c(F)cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012542 1099334796 /nfs/dbraw/zinc/33/47/96/1099334796.db2.gz OPUNOEWQDNXOJK-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1c(F)cccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012542 1099334809 /nfs/dbraw/zinc/33/48/09/1099334809.db2.gz OPUNOEWQDNXOJK-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236041618 1099342679 /nfs/dbraw/zinc/34/26/79/1099342679.db2.gz JWVYXDJFQFQVEA-IUODEOHRSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236041618 1099342693 /nfs/dbraw/zinc/34/26/93/1099342693.db2.gz JWVYXDJFQFQVEA-IUODEOHRSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236041620 1099343041 /nfs/dbraw/zinc/34/30/41/1099343041.db2.gz JWVYXDJFQFQVEA-SWLSCSKDSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236041620 1099343052 /nfs/dbraw/zinc/34/30/52/1099343052.db2.gz JWVYXDJFQFQVEA-SWLSCSKDSA-N 2 1 300.368 3.138 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC001204265608 1099370283 /nfs/dbraw/zinc/37/02/83/1099370283.db2.gz IYXNGDZWQJUNOD-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2CCC1C[NH2+]C1 ZINC001236104031 1099393006 /nfs/dbraw/zinc/39/30/06/1099393006.db2.gz FYFRVFIMZADBNE-RTWAWAEBSA-N 2 1 304.437 3.472 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108523 1099397493 /nfs/dbraw/zinc/39/74/93/1099397493.db2.gz KFEZBKVOTIOIBG-WVZRYYJFSA-N 2 1 306.400 3.064 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108523 1099397502 /nfs/dbraw/zinc/39/75/02/1099397502.db2.gz KFEZBKVOTIOIBG-WVZRYYJFSA-N 2 1 306.400 3.064 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155072 1099435839 /nfs/dbraw/zinc/43/58/39/1099435839.db2.gz GCMMJGBGDXXTFR-GOEBONIOSA-N 2 1 310.432 3.430 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155072 1099435841 /nfs/dbraw/zinc/43/58/41/1099435841.db2.gz GCMMJGBGDXXTFR-GOEBONIOSA-N 2 1 310.432 3.430 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216611 1099472274 /nfs/dbraw/zinc/47/22/74/1099472274.db2.gz KRZKYGZIEBEYNE-DLBZAZTESA-N 2 1 302.462 3.492 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216611 1099472281 /nfs/dbraw/zinc/47/22/81/1099472281.db2.gz KRZKYGZIEBEYNE-DLBZAZTESA-N 2 1 302.462 3.492 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219668 1099477894 /nfs/dbraw/zinc/47/78/94/1099477894.db2.gz XHVIFAPJCKTDNR-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219668 1099477896 /nfs/dbraw/zinc/47/78/96/1099477896.db2.gz XHVIFAPJCKTDNR-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCC[NH3+] ZINC001236235965 1099490236 /nfs/dbraw/zinc/49/02/36/1099490236.db2.gz HRFGWJMYYVZDQH-PMPSAXMXSA-N 2 1 310.482 3.090 20 0 DGADMP Oc1ccc(Oc2cccc(C[NH+]3CCC[NH2+]CCC3)c2)cc1 ZINC001236239214 1099493026 /nfs/dbraw/zinc/49/30/26/1099493026.db2.gz BRKXACZRHVWSJP-UHFFFAOYSA-N 2 1 312.413 3.370 20 0 DGADMP c1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCSCC2)cc1 ZINC001236264977 1099508261 /nfs/dbraw/zinc/50/82/61/1099508261.db2.gz GJNBNALGUQTXTK-KRWDZBQOSA-N 2 1 304.503 3.384 20 0 DGADMP C[N@@H+](CCc1ccccc1F)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236265661 1099508316 /nfs/dbraw/zinc/50/83/16/1099508316.db2.gz JKXQBNMLBKGKTQ-UHFFFAOYSA-N 2 1 304.434 3.207 20 0 DGADMP c1ccc(C[N@@H+](CCCc2cccnc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236270418 1099511216 /nfs/dbraw/zinc/51/12/16/1099511216.db2.gz RRDMQJQMYODZBV-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@H+](CCCc2cccnc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236270418 1099511227 /nfs/dbraw/zinc/51/12/27/1099511227.db2.gz RRDMQJQMYODZBV-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP COc1ccc(CC[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236271270 1099513633 /nfs/dbraw/zinc/51/36/33/1099513633.db2.gz ZYEPYRBHTUOPIJ-FQEVSTJZSA-N 2 1 324.468 3.492 20 0 DGADMP COc1ccc(CC[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236271270 1099513642 /nfs/dbraw/zinc/51/36/42/1099513642.db2.gz ZYEPYRBHTUOPIJ-FQEVSTJZSA-N 2 1 324.468 3.492 20 0 DGADMP Clc1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236314489 1099528351 /nfs/dbraw/zinc/52/83/51/1099528351.db2.gz OQIYFPWEEMLGJZ-OKILXGFUSA-N 2 1 313.272 3.467 20 0 DGADMP Fc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316155 1099530968 /nfs/dbraw/zinc/53/09/68/1099530968.db2.gz PKEKELPDKKCJQI-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Clc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236317562 1099532603 /nfs/dbraw/zinc/53/26/03/1099532603.db2.gz ZHXCUGFBOHAZGS-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)cc1Cl ZINC001236320207 1099532979 /nfs/dbraw/zinc/53/29/79/1099532979.db2.gz MFSZSDOCPXVXIN-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236322349 1099535900 /nfs/dbraw/zinc/53/59/00/1099535900.db2.gz YVEOLOQJHCJOAJ-OKILXGFUSA-N 2 1 308.853 3.170 20 0 DGADMP COc1cccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236371244 1099557417 /nfs/dbraw/zinc/55/74/17/1099557417.db2.gz ISWRTHGNCYMEJX-SFHVURJKSA-N 2 1 316.489 3.482 20 0 DGADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc(C)n1 ZINC001236374567 1099559340 /nfs/dbraw/zinc/55/93/40/1099559340.db2.gz FALCSABRRUYHPW-KRWDZBQOSA-N 2 1 301.478 3.443 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c1)OCC2 ZINC001236374998 1099559771 /nfs/dbraw/zinc/55/97/71/1099559771.db2.gz HQUXIRFZOOOLKM-INIZCTEOSA-N 2 1 314.473 3.366 20 0 DGADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc(C)n1 ZINC001236374568 1099560452 /nfs/dbraw/zinc/56/04/52/1099560452.db2.gz FALCSABRRUYHPW-QGZVFWFLSA-N 2 1 301.478 3.443 20 0 DGADMP CCOc1ccnc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374562 1099561532 /nfs/dbraw/zinc/56/15/32/1099561532.db2.gz DWOFNGDSFNOYFO-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)nc1C ZINC001236374904 1099562113 /nfs/dbraw/zinc/56/21/13/1099562113.db2.gz GFGZBAOCADIGLN-MRXNPFEDSA-N 2 1 317.477 3.143 20 0 DGADMP c1ccc(OCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375521 1099562526 /nfs/dbraw/zinc/56/25/26/1099562526.db2.gz ZOFGZQPAQNYHPU-QGZVFWFLSA-N 2 1 302.462 3.310 20 0 DGADMP Oc1c(F)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236376212 1099563837 /nfs/dbraw/zinc/56/38/37/1099563837.db2.gz PCOGKHFOOAGYBG-CYBMUJFWSA-N 2 1 324.415 3.415 20 0 DGADMP Oc1c(F)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236376212 1099563845 /nfs/dbraw/zinc/56/38/45/1099563845.db2.gz PCOGKHFOOAGYBG-CYBMUJFWSA-N 2 1 324.415 3.415 20 0 DGADMP CSCCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383805 1099566609 /nfs/dbraw/zinc/56/66/09/1099566609.db2.gz XRRNRBAMUKLZNG-UHFFFAOYSA-N 2 1 310.482 3.380 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C[C@H]2CCCCO2)cc1 ZINC001236382683 1099566883 /nfs/dbraw/zinc/56/68/83/1099566883.db2.gz PGACKDGDFYJCBO-LJQANCHMSA-N 2 1 320.452 3.196 20 0 DGADMP C[N@H+](Cc1cccc(-c2ccc(Cl)cn2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409907 1099584016 /nfs/dbraw/zinc/58/40/16/1099584016.db2.gz AACHBNQFCOFPMR-VQFNDLOPSA-N 2 1 313.832 3.052 20 0 DGADMP C[N@@H+](Cc1cccc(-c2ccc(Cl)cn2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409907 1099584026 /nfs/dbraw/zinc/58/40/26/1099584026.db2.gz AACHBNQFCOFPMR-VQFNDLOPSA-N 2 1 313.832 3.052 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001236411244 1099586181 /nfs/dbraw/zinc/58/61/81/1099586181.db2.gz METNGLVKFUXTPP-SFHVURJKSA-N 2 1 308.425 3.288 20 0 DGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413123 1099587143 /nfs/dbraw/zinc/58/71/43/1099587143.db2.gz CIJUZBCWUJWCRQ-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413123 1099587151 /nfs/dbraw/zinc/58/71/51/1099587151.db2.gz CIJUZBCWUJWCRQ-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP c1c(C[N@H+]2CCOC[C@@H]2C2CCCCC2)sc2c1C[NH2+]CC2 ZINC001236432928 1099609155 /nfs/dbraw/zinc/60/91/55/1099609155.db2.gz FVTAXYRTPQYALX-QGZVFWFLSA-N 2 1 320.502 3.175 20 0 DGADMP OCCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452315 1099620211 /nfs/dbraw/zinc/62/02/11/1099620211.db2.gz CVKKCACOTZNNIU-UHFFFAOYSA-N 2 1 310.869 3.057 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cn1 ZINC001236458125 1099622130 /nfs/dbraw/zinc/62/21/30/1099622130.db2.gz VFMKQORCLPGOIV-UHFFFAOYSA-N 2 1 319.493 3.469 20 0 DGADMP CCOCC[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC001236459749 1099622863 /nfs/dbraw/zinc/62/28/63/1099622863.db2.gz FBWNSUJOJNLZON-UHFFFAOYSA-N 2 1 312.457 3.430 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)c2c1 ZINC001236458631 1099623007 /nfs/dbraw/zinc/62/30/07/1099623007.db2.gz ZUMUKUXTJKVPOH-UHFFFAOYSA-N 2 1 314.477 3.471 20 0 DGADMP Cc1ccc2n[nH]c(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)c2c1 ZINC001236458631 1099623023 /nfs/dbraw/zinc/62/30/23/1099623023.db2.gz ZUMUKUXTJKVPOH-UHFFFAOYSA-N 2 1 314.477 3.471 20 0 DGADMP CCC1(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)COC1 ZINC001236480206 1099637215 /nfs/dbraw/zinc/63/72/15/1099637215.db2.gz AEFVEHCVDGGSIZ-UHFFFAOYSA-N 2 1 320.452 3.115 20 0 DGADMP N[C@H](C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236540693 1099672990 /nfs/dbraw/zinc/67/29/90/1099672990.db2.gz JXOTXRNIHSVXHY-GUDVDZBRSA-N 2 1 301.478 3.058 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3c2OCC3)CC2CCC2)CC1 ZINC001236542826 1099673044 /nfs/dbraw/zinc/67/30/44/1099673044.db2.gz IRIFCXVCTKIJNX-WGSAOQKQSA-N 2 1 314.473 3.494 20 0 DGADMP COc1cc(C)c(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236540903 1099673085 /nfs/dbraw/zinc/67/30/85/1099673085.db2.gz MKMKBUOWICLIFV-IYARVYRRSA-N 2 1 317.477 3.271 20 0 DGADMP COc1cccc(CC[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550354 1099676174 /nfs/dbraw/zinc/67/61/74/1099676174.db2.gz FGSFJINSLRKRJN-IYARVYRRSA-N 2 1 304.478 3.466 20 0 DGADMP COc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1 ZINC001236551450 1099677788 /nfs/dbraw/zinc/67/77/88/1099677788.db2.gz QJCKDVUJRJLUQF-QAQDUYKDSA-N 2 1 320.477 3.432 20 0 DGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556652 1099679592 /nfs/dbraw/zinc/67/95/92/1099679592.db2.gz XTOQMCPVARMXQP-IYARVYRRSA-N 2 1 318.461 3.020 20 0 DGADMP CNc1ncc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236573963 1099684615 /nfs/dbraw/zinc/68/46/15/1099684615.db2.gz LCEBEOJDAKTFQO-MQMHXKEQSA-N 2 1 308.495 3.199 20 0 DGADMP CCOc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236571926 1099685024 /nfs/dbraw/zinc/68/50/24/1099685024.db2.gz MVGXCIPRFHFUBZ-SAABIXHNSA-N 2 1 317.477 3.495 20 0 DGADMP FC(F)COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236597313 1099693871 /nfs/dbraw/zinc/69/38/71/1099693871.db2.gz BYYFEALRHYBMBY-OAHLLOKOSA-N 2 1 324.415 3.295 20 0 DGADMP CCOc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236602672 1099697353 /nfs/dbraw/zinc/69/73/53/1099697353.db2.gz ZNTDFQSJXKXQDA-HNNXBMFYSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236602672 1099697357 /nfs/dbraw/zinc/69/73/57/1099697357.db2.gz ZNTDFQSJXKXQDA-HNNXBMFYSA-N 2 1 306.425 3.188 20 0 DGADMP COc1c(Cl)cccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236600073 1099697511 /nfs/dbraw/zinc/69/75/11/1099697511.db2.gz YPDGKBZLOHYXPF-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP COc1c(Cl)cccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236600073 1099697513 /nfs/dbraw/zinc/69/75/13/1099697513.db2.gz YPDGKBZLOHYXPF-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP Fc1cc2cc[nH]c2c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236604084 1099699328 /nfs/dbraw/zinc/69/93/28/1099699328.db2.gz BUZITVLJPLPROT-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236606942 1099700182 /nfs/dbraw/zinc/70/01/82/1099700182.db2.gz YNYOPBROYWAYBR-INIZCTEOSA-N 2 1 302.462 3.276 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236606942 1099700185 /nfs/dbraw/zinc/70/01/85/1099700185.db2.gz YNYOPBROYWAYBR-INIZCTEOSA-N 2 1 302.462 3.276 20 0 DGADMP Fc1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c2c(c1)CCCO2 ZINC001236637044 1099715308 /nfs/dbraw/zinc/71/53/08/1099715308.db2.gz LJJQTTKEXWAARY-UHFFFAOYSA-N 2 1 318.436 3.257 20 0 DGADMP Fc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c2c(c1)CCCO2 ZINC001236637044 1099715318 /nfs/dbraw/zinc/71/53/18/1099715318.db2.gz LJJQTTKEXWAARY-UHFFFAOYSA-N 2 1 318.436 3.257 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236663929 1099732438 /nfs/dbraw/zinc/73/24/38/1099732438.db2.gz MHEKCBVBVICTQT-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236663929 1099732442 /nfs/dbraw/zinc/73/24/42/1099732442.db2.gz MHEKCBVBVICTQT-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cccc(O[C@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)n1 ZINC001236664518 1099732870 /nfs/dbraw/zinc/73/28/70/1099732870.db2.gz QCJIGMWYQIIRCF-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cccc(O[C@H]2CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)n1 ZINC001236664518 1099732877 /nfs/dbraw/zinc/73/28/77/1099732877.db2.gz QCJIGMWYQIIRCF-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP CN1CCC[C@@H](C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681076 1099739638 /nfs/dbraw/zinc/73/96/38/1099739638.db2.gz APJMBMPOBSYMCI-VAMGGRTRSA-N 2 1 315.505 3.100 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681076 1099739644 /nfs/dbraw/zinc/73/96/44/1099739644.db2.gz APJMBMPOBSYMCI-VAMGGRTRSA-N 3 1 315.505 3.100 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681076 1099739650 /nfs/dbraw/zinc/73/96/50/1099739650.db2.gz APJMBMPOBSYMCI-VAMGGRTRSA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681076 1099739657 /nfs/dbraw/zinc/73/96/57/1099739657.db2.gz APJMBMPOBSYMCI-VAMGGRTRSA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681076 1099739664 /nfs/dbraw/zinc/73/96/64/1099739664.db2.gz APJMBMPOBSYMCI-VAMGGRTRSA-N 3 1 315.505 3.100 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713419 1099753034 /nfs/dbraw/zinc/75/30/34/1099753034.db2.gz CDHMRAUCNXLHFP-VAMGGRTRSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCOc3ccc(F)cc3)C2)C1 ZINC001278012397 1099796464 /nfs/dbraw/zinc/79/64/64/1099796464.db2.gz BTSVSRDFWOPJTR-IBGZPJMESA-N 2 1 320.452 3.402 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC001236821561 1099805348 /nfs/dbraw/zinc/80/53/48/1099805348.db2.gz VQJICKWNRQPECD-CWRNSKLLSA-N 2 1 312.379 3.307 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@@H]12 ZINC001236822073 1099809864 /nfs/dbraw/zinc/80/98/64/1099809864.db2.gz XZXQOZFAPVMDFA-NUEKZKHPSA-N 2 1 323.278 3.051 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(COc4ccccc4)cc3)C[C@@H]12 ZINC001236831829 1099817590 /nfs/dbraw/zinc/81/75/90/1099817590.db2.gz RPMCXFLOKLDWRZ-HMXCVIKNSA-N 2 1 322.452 3.435 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236833405 1099819813 /nfs/dbraw/zinc/81/98/13/1099819813.db2.gz ASDZBQGSZUPBGC-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+](Cc1cc(F)c(OCC)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843713 1099828695 /nfs/dbraw/zinc/82/86/95/1099828695.db2.gz PWXJEOWJQIVVED-CYBMUJFWSA-N 2 1 312.404 3.185 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236844086 1099829385 /nfs/dbraw/zinc/82/93/85/1099829385.db2.gz SQXKYEOHTAIYRE-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP CCCOc1cc(F)ccc1C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236844086 1099829392 /nfs/dbraw/zinc/82/93/92/1099829392.db2.gz SQXKYEOHTAIYRE-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP CCC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236844603 1099829651 /nfs/dbraw/zinc/82/96/51/1099829651.db2.gz WPTXKTUZGVYAFE-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+](Cc1cc(OC)ccc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236844603 1099829657 /nfs/dbraw/zinc/82/96/57/1099829657.db2.gz WPTXKTUZGVYAFE-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC001236852507 1099834882 /nfs/dbraw/zinc/83/48/82/1099834882.db2.gz XLFPAWWTTRTOBP-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC001236887813 1099852220 /nfs/dbraw/zinc/85/22/20/1099852220.db2.gz QJKUGNAFBAZXND-ZWKOTPCHSA-N 2 1 315.505 3.306 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC001236890968 1099854026 /nfs/dbraw/zinc/85/40/26/1099854026.db2.gz USYIKSAHHNGJNR-SJORKVTESA-N 2 1 301.478 3.059 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCCO1 ZINC001236913054 1099874045 /nfs/dbraw/zinc/87/40/45/1099874045.db2.gz IADQBLALBLQHRH-CYBMUJFWSA-N 2 1 305.809 3.137 20 0 DGADMP C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2Cl)CCCO1 ZINC001236913054 1099874054 /nfs/dbraw/zinc/87/40/54/1099874054.db2.gz IADQBLALBLQHRH-CYBMUJFWSA-N 2 1 305.809 3.137 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001278029902 1099883141 /nfs/dbraw/zinc/88/31/41/1099883141.db2.gz XMDADCWWMXVJNV-VGUREELVSA-N 2 1 323.525 3.052 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001278029902 1099883149 /nfs/dbraw/zinc/88/31/49/1099883149.db2.gz XMDADCWWMXVJNV-VGUREELVSA-N 2 1 323.525 3.052 20 0 DGADMP C[NH+]1CCN(c2cc(C[N@@H+]3CCCCC34CC4)ccc2F)CC1 ZINC001236971305 1099895317 /nfs/dbraw/zinc/89/53/17/1099895317.db2.gz DMPKLJSRXYTGFA-UHFFFAOYSA-N 2 1 317.452 3.096 20 0 DGADMP C[NH+]1CCN(c2cc(C[N@H+]3CCCCC34CC4)ccc2F)CC1 ZINC001236971305 1099895329 /nfs/dbraw/zinc/89/53/29/1099895329.db2.gz DMPKLJSRXYTGFA-UHFFFAOYSA-N 2 1 317.452 3.096 20 0 DGADMP CCC[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC(C)C ZINC001236969655 1099896373 /nfs/dbraw/zinc/89/63/73/1099896373.db2.gz ZKBFUAMCLXJTKT-UHFFFAOYSA-N 2 1 321.484 3.446 20 0 DGADMP CCC[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC(C)C ZINC001236969655 1099896383 /nfs/dbraw/zinc/89/63/83/1099896383.db2.gz ZKBFUAMCLXJTKT-UHFFFAOYSA-N 2 1 321.484 3.446 20 0 DGADMP Cc1cccc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cn2)c1C ZINC001236990907 1099910054 /nfs/dbraw/zinc/91/00/54/1099910054.db2.gz WOJLTGHAQSZCQT-KDURUIRLSA-N 2 1 321.468 3.359 20 0 DGADMP Cc1cccc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cn2)c1C ZINC001236990907 1099910068 /nfs/dbraw/zinc/91/00/68/1099910068.db2.gz WOJLTGHAQSZCQT-KDURUIRLSA-N 2 1 321.468 3.359 20 0 DGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cn2)c1C ZINC001236990907 1099910081 /nfs/dbraw/zinc/91/00/81/1099910081.db2.gz WOJLTGHAQSZCQT-KDURUIRLSA-N 2 1 321.468 3.359 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cn2)c1C ZINC001236990907 1099910096 /nfs/dbraw/zinc/91/00/96/1099910096.db2.gz WOJLTGHAQSZCQT-KDURUIRLSA-N 2 1 321.468 3.359 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)cc2c1 ZINC001237081312 1099961155 /nfs/dbraw/zinc/96/11/55/1099961155.db2.gz KQKLOMXULHPXBJ-KRWDZBQOSA-N 2 1 304.459 3.471 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001237186990 1100023025 /nfs/dbraw/zinc/02/30/25/1100023025.db2.gz BAWQOQDAEJLGDG-GOSISDBHSA-N 2 1 320.427 3.197 20 0 DGADMP Clc1ccc2c(c1)[C@H]1C[N@H+](CCC3CC[NH2+]CC3)CC[C@@H]1N2 ZINC001237228430 1100042563 /nfs/dbraw/zinc/04/25/63/1100042563.db2.gz AQGIERMGEVVDLL-AEFFLSMTSA-N 2 1 319.880 3.313 20 0 DGADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237258013 1100049517 /nfs/dbraw/zinc/04/95/17/1100049517.db2.gz JRHVMLCDUCUJSD-CABCVRRESA-N 2 1 311.267 3.193 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277260 1100057312 /nfs/dbraw/zinc/05/73/12/1100057312.db2.gz YFGBOWALGYYMJM-UHOSZYNNSA-N 2 1 308.469 3.336 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237379913 1100098079 /nfs/dbraw/zinc/09/80/79/1100098079.db2.gz DPUVWBNCZGMNHT-HOCLYGCPSA-N 2 1 312.379 3.322 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380233 1100098789 /nfs/dbraw/zinc/09/87/89/1100098789.db2.gz GILKJFBJVNXOGV-ZWKOTPCHSA-N 2 1 324.509 3.354 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237379911 1100099382 /nfs/dbraw/zinc/09/93/82/1100099382.db2.gz DPUVWBNCZGMNHT-GOEBONIOSA-N 2 1 312.379 3.322 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237401238 1100110669 /nfs/dbraw/zinc/11/06/69/1100110669.db2.gz CHRASXFWYPVMJT-PZJWPPBQSA-N 2 1 323.484 3.480 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2O1 ZINC001237408417 1100115988 /nfs/dbraw/zinc/11/59/88/1100115988.db2.gz ZWTOKTOFDYJTGB-MSOLQXFVSA-N 2 1 314.473 3.364 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2O1 ZINC001237408417 1100115991 /nfs/dbraw/zinc/11/59/91/1100115991.db2.gz ZWTOKTOFDYJTGB-MSOLQXFVSA-N 2 1 314.473 3.364 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccn2nccc2c1 ZINC001237538808 1100164204 /nfs/dbraw/zinc/16/42/04/1100164204.db2.gz DDIGHJLCAGKXEQ-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccn2nccc2c1 ZINC001237538808 1100164211 /nfs/dbraw/zinc/16/42/11/1100164211.db2.gz DDIGHJLCAGKXEQ-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccn2nccc2c1 ZINC001237538808 1100164217 /nfs/dbraw/zinc/16/42/17/1100164217.db2.gz DDIGHJLCAGKXEQ-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccn2nccc2c1 ZINC001237538808 1100164222 /nfs/dbraw/zinc/16/42/22/1100164222.db2.gz DDIGHJLCAGKXEQ-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccn3nccc3c2)CC1 ZINC001237543992 1100167265 /nfs/dbraw/zinc/16/72/65/1100167265.db2.gz CXMPBGNRFZZOCT-UHFFFAOYSA-N 2 1 300.450 3.031 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccn3nccc3c2)CC1 ZINC001237543992 1100167269 /nfs/dbraw/zinc/16/72/69/1100167269.db2.gz CXMPBGNRFZZOCT-UHFFFAOYSA-N 2 1 300.450 3.031 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+](CCCO)C(C)C)cc21 ZINC001237880149 1100277214 /nfs/dbraw/zinc/27/72/14/1100277214.db2.gz FUDWQYMAPIPVHU-UHFFFAOYSA-N 2 1 302.462 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@](C)(O)C3)cc21 ZINC001237880533 1100277757 /nfs/dbraw/zinc/27/77/57/1100277757.db2.gz GZMMRTVXUFTNJU-FOIQADDNSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@H](O)CC3)cc21 ZINC001237880685 1100279510 /nfs/dbraw/zinc/27/95/10/1100279510.db2.gz IPRVZVGVCYAFCK-DNVCBOLYSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](O)[C@@H](C)C3)cc21 ZINC001237880662 1100280496 /nfs/dbraw/zinc/28/04/96/1100280496.db2.gz IAECNOBMKIYKAO-HNAYVOBHSA-N 2 1 314.473 3.281 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237909460 1100290583 /nfs/dbraw/zinc/29/05/83/1100290583.db2.gz OEBCKBOFUGCBCW-FQEVSTJZSA-N 2 1 314.473 3.108 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237909460 1100290586 /nfs/dbraw/zinc/29/05/86/1100290586.db2.gz OEBCKBOFUGCBCW-FQEVSTJZSA-N 2 1 314.473 3.108 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237909460 1100290590 /nfs/dbraw/zinc/29/05/90/1100290590.db2.gz OEBCKBOFUGCBCW-FQEVSTJZSA-N 2 1 314.473 3.108 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1c3ccoc3ccc1F)C2 ZINC001278166866 1100300252 /nfs/dbraw/zinc/30/02/52/1100300252.db2.gz CHBABRDRGLIFJY-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP Cc1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc(C)c1Cl ZINC001238098355 1100360296 /nfs/dbraw/zinc/36/02/96/1100360296.db2.gz XYXXFOYUWWGQFC-UHFFFAOYSA-N 2 1 323.912 3.026 20 0 DGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001238112377 1100365635 /nfs/dbraw/zinc/36/56/35/1100365635.db2.gz DGMSFCLLKZRKBB-IBGZPJMESA-N 2 1 307.397 3.378 20 0 DGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001238112377 1100365644 /nfs/dbraw/zinc/36/56/44/1100365644.db2.gz DGMSFCLLKZRKBB-IBGZPJMESA-N 2 1 307.397 3.378 20 0 DGADMP CCCCOc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC001238489674 1100457867 /nfs/dbraw/zinc/45/78/67/1100457867.db2.gz RHUVRLYKLUUEOD-UHFFFAOYSA-N 2 1 319.493 3.343 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001238591865 1100477381 /nfs/dbraw/zinc/47/73/81/1100477381.db2.gz NRKXNMRGPANCME-UHFFFAOYSA-N 2 1 306.425 3.060 20 0 DGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238672670 1100498496 /nfs/dbraw/zinc/49/84/96/1100498496.db2.gz ZAGQWXKFWDDELW-OCCSQVGLSA-N 2 1 310.894 3.445 20 0 DGADMP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001238672670 1100498498 /nfs/dbraw/zinc/49/84/98/1100498498.db2.gz ZAGQWXKFWDDELW-OCCSQVGLSA-N 2 1 310.894 3.445 20 0 DGADMP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001238672670 1100498501 /nfs/dbraw/zinc/49/85/01/1100498501.db2.gz ZAGQWXKFWDDELW-OCCSQVGLSA-N 2 1 310.894 3.445 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC001205604339 1100647201 /nfs/dbraw/zinc/64/72/01/1100647201.db2.gz VBNMSQUKDHIEEF-OCCSQVGLSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC001205618197 1100695986 /nfs/dbraw/zinc/69/59/86/1100695986.db2.gz SOXRWXDXYKQUOE-LSDHHAIUSA-N 2 1 305.466 3.066 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cnc4ccccc4c3)cn12 ZINC001239792489 1100757354 /nfs/dbraw/zinc/75/73/54/1100757354.db2.gz AYYIMCVSCJUHFM-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP CC(C)Oc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001239968107 1100814949 /nfs/dbraw/zinc/81/49/49/1100814949.db2.gz MMYOQTFJTBISLC-UHFFFAOYSA-N 2 1 307.397 3.475 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc4cnccc43)cn12 ZINC001240008518 1100830939 /nfs/dbraw/zinc/83/09/39/1100830939.db2.gz PSJFGTLQRPDSBZ-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP COc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c(F)c1 ZINC001240035276 1100841596 /nfs/dbraw/zinc/84/15/96/1100841596.db2.gz ONXUXTKNFRGTRV-UHFFFAOYSA-N 2 1 314.404 3.424 20 0 DGADMP C[N@H+]1CCc2ncnc(-c3cccc(C[NH+]4CCCCC4)c3)c2C1 ZINC001240167825 1100886484 /nfs/dbraw/zinc/88/64/84/1100886484.db2.gz DGBPNEGVSSDRRH-UHFFFAOYSA-N 2 1 322.456 3.117 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001194221627 1100897181 /nfs/dbraw/zinc/89/71/81/1100897181.db2.gz MTSDRRZNWCUIFE-BHIYHBOVSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001194221627 1100897190 /nfs/dbraw/zinc/89/71/90/1100897190.db2.gz MTSDRRZNWCUIFE-BHIYHBOVSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001194221627 1100897197 /nfs/dbraw/zinc/89/71/97/1100897197.db2.gz MTSDRRZNWCUIFE-BHIYHBOVSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001194221719 1100897514 /nfs/dbraw/zinc/89/75/14/1100897514.db2.gz MTSDRRZNWCUIFE-NZSAHSFTSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001194221719 1100897519 /nfs/dbraw/zinc/89/75/19/1100897519.db2.gz MTSDRRZNWCUIFE-NZSAHSFTSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001194221719 1100897529 /nfs/dbraw/zinc/89/75/29/1100897529.db2.gz MTSDRRZNWCUIFE-NZSAHSFTSA-N 2 1 304.478 3.161 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205662684 1100911952 /nfs/dbraw/zinc/91/19/52/1100911952.db2.gz DEUIIIFMRHBHOI-DGCLKSJQSA-N 2 1 315.383 3.216 20 0 DGADMP c1cc2c(cc[nH+]c2-c2cccc(CC[NH+]3CCOCC3)c2)[nH]1 ZINC001240253707 1100912763 /nfs/dbraw/zinc/91/27/63/1100912763.db2.gz BQOVMYVXUFJZRW-UHFFFAOYSA-N 2 1 307.397 3.105 20 0 DGADMP C[C@H]([NH3+])c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC001240408470 1100981656 /nfs/dbraw/zinc/98/16/56/1100981656.db2.gz KYVYRIJQGKETCV-INIZCTEOSA-N 2 1 309.457 3.121 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001195499951 1101151048 /nfs/dbraw/zinc/15/10/48/1101151048.db2.gz YXPVZSUYTSRJKB-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001195499951 1101151050 /nfs/dbraw/zinc/15/10/50/1101151050.db2.gz YXPVZSUYTSRJKB-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001195499951 1101151054 /nfs/dbraw/zinc/15/10/54/1101151054.db2.gz YXPVZSUYTSRJKB-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP CN(C)c1cc[nH+]c(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001240853372 1101159012 /nfs/dbraw/zinc/15/90/12/1101159012.db2.gz YWPHUYTWMSWRRJ-UHFFFAOYSA-N 2 1 323.440 3.136 20 0 DGADMP CCOc1cc(F)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241025152 1101225470 /nfs/dbraw/zinc/22/54/70/1101225470.db2.gz SQAURXIAMLXSSS-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP Fc1ccc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1F ZINC001241047602 1101234754 /nfs/dbraw/zinc/23/47/54/1101234754.db2.gz MDPNASICRINCHT-UHFFFAOYSA-N 2 1 303.287 3.105 20 0 DGADMP CCOc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1F ZINC001241069131 1101240537 /nfs/dbraw/zinc/24/05/37/1101240537.db2.gz FVPYNMMYVVXQPV-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP CCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1F ZINC001241086484 1101248657 /nfs/dbraw/zinc/24/86/57/1101248657.db2.gz XELXMFXMEOELHA-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP CC(C)Cc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001196488917 1101318754 /nfs/dbraw/zinc/31/87/54/1101318754.db2.gz HICCLDNEXFISJR-HXUWFJFHSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CCN1c1cc[nH+]cc1 ZINC001197369148 1101557356 /nfs/dbraw/zinc/55/73/56/1101557356.db2.gz VFCWLHJJXDOQDV-KUHUBIRLSA-N 2 1 311.404 3.419 20 0 DGADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CCCCC1 ZINC001197376160 1101559079 /nfs/dbraw/zinc/55/90/79/1101559079.db2.gz ALLMOCWOMVRSOS-LPHOPBHVSA-N 2 1 317.477 3.187 20 0 DGADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CCCCC1 ZINC001197376158 1101560016 /nfs/dbraw/zinc/56/00/16/1101560016.db2.gz ALLMOCWOMVRSOS-APWZRJJASA-N 2 1 317.477 3.187 20 0 DGADMP C[NH+](C)/C=C/c1ccncc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241819371 1101725789 /nfs/dbraw/zinc/72/57/89/1101725789.db2.gz SQHYQDNXRJZYRE-VQHVLOKHSA-N 2 1 323.440 3.113 20 0 DGADMP [NH3+]Cc1ccc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)cc1 ZINC001241915481 1101779414 /nfs/dbraw/zinc/77/94/14/1101779414.db2.gz YXCBMLRXMKAPEK-QGZVFWFLSA-N 2 1 309.438 3.272 20 0 DGADMP [NH3+]C1(c2ccccc2-c2ccccc2C[NH+]2CCOCC2)CC1 ZINC001241994248 1101840911 /nfs/dbraw/zinc/84/09/11/1101840911.db2.gz SPQMLTINFYSOOJ-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP C[C@@H](C[NH2+]Cc1nccc2c1CCCC2)C[NH+]1CCCCC1 ZINC001199582213 1102160096 /nfs/dbraw/zinc/16/00/96/1102160096.db2.gz MMZZJDGDTOMHIU-INIZCTEOSA-N 2 1 301.478 3.172 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001205901285 1102399658 /nfs/dbraw/zinc/39/96/58/1102399658.db2.gz CHLYFFPRUJCZTC-DGCLKSJQSA-N 2 1 302.340 3.144 20 0 DGADMP CCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001203246726 1102579590 /nfs/dbraw/zinc/57/95/90/1102579590.db2.gz LHENYLOQTMSXJZ-JKSUJKDBSA-N 2 1 304.482 3.119 20 0 DGADMP CCc1nc(C)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001203246726 1102579599 /nfs/dbraw/zinc/57/95/99/1102579599.db2.gz LHENYLOQTMSXJZ-JKSUJKDBSA-N 2 1 304.482 3.119 20 0 DGADMP CCc1nc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001203246726 1102579608 /nfs/dbraw/zinc/57/96/08/1102579608.db2.gz LHENYLOQTMSXJZ-JKSUJKDBSA-N 2 1 304.482 3.119 20 0 DGADMP CCc1nc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001203246726 1102579619 /nfs/dbraw/zinc/57/96/19/1102579619.db2.gz LHENYLOQTMSXJZ-JKSUJKDBSA-N 2 1 304.482 3.119 20 0 DGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201501844 1102614308 /nfs/dbraw/zinc/61/43/08/1102614308.db2.gz CCEGAWKDJSDTAS-RDGPPVDQSA-N 2 1 318.509 3.102 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201501844 1102614314 /nfs/dbraw/zinc/61/43/14/1102614314.db2.gz CCEGAWKDJSDTAS-RDGPPVDQSA-N 2 1 318.509 3.102 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201501844 1102614319 /nfs/dbraw/zinc/61/43/19/1102614319.db2.gz CCEGAWKDJSDTAS-RDGPPVDQSA-N 2 1 318.509 3.102 20 0 DGADMP CN(c1cc(N)cc[nH+]1)C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474792 1102625210 /nfs/dbraw/zinc/62/52/10/1102625210.db2.gz LFZXTLRZJFCTSP-MSOLQXFVSA-N 2 1 320.440 3.421 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201543388 1102631988 /nfs/dbraw/zinc/63/19/88/1102631988.db2.gz FYVCRDSPFTUGIN-UHOSZYNNSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201543388 1102631995 /nfs/dbraw/zinc/63/19/95/1102631995.db2.gz FYVCRDSPFTUGIN-UHOSZYNNSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201543388 1102632000 /nfs/dbraw/zinc/63/20/00/1102632000.db2.gz FYVCRDSPFTUGIN-UHOSZYNNSA-N 2 1 308.510 3.103 20 0 DGADMP CCC(CC)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001201528649 1102646496 /nfs/dbraw/zinc/64/64/96/1102646496.db2.gz VRGCCKRWBFIVJA-UHFFFAOYSA-N 2 1 318.509 3.163 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccccc3)C2)C1 ZINC001201597552 1102649020 /nfs/dbraw/zinc/64/90/20/1102649020.db2.gz XVZBIBQHKSPJRM-HXUWFJFHSA-N 2 1 316.489 3.052 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccccc3)C2)C1 ZINC001201597552 1102649025 /nfs/dbraw/zinc/64/90/25/1102649025.db2.gz XVZBIBQHKSPJRM-HXUWFJFHSA-N 2 1 316.489 3.052 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001201597552 1102649031 /nfs/dbraw/zinc/64/90/31/1102649031.db2.gz XVZBIBQHKSPJRM-HXUWFJFHSA-N 2 1 316.489 3.052 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001201597552 1102649033 /nfs/dbraw/zinc/64/90/33/1102649033.db2.gz XVZBIBQHKSPJRM-HXUWFJFHSA-N 2 1 316.489 3.052 20 0 DGADMP CCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201638441 1102667155 /nfs/dbraw/zinc/66/71/55/1102667155.db2.gz OXBVRKGFIAUKHB-OAHLLOKOSA-N 2 1 308.491 3.213 20 0 DGADMP CC(C)Oc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1F ZINC001243452850 1102730999 /nfs/dbraw/zinc/73/09/99/1102730999.db2.gz YPOUCLRMDJFCME-UHFFFAOYSA-N 2 1 315.392 3.085 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2cc(F)cc(F)c2O)CC1 ZINC001243503475 1102757683 /nfs/dbraw/zinc/75/76/83/1102757683.db2.gz CYHAVHPCCXHISJ-UHFFFAOYSA-N 2 1 318.367 3.261 20 0 DGADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccccc1)[NH+]1CCCCC1 ZINC001201963833 1102774955 /nfs/dbraw/zinc/77/49/55/1102774955.db2.gz XOSYNHPMROZXIT-MRXNPFEDSA-N 2 1 312.461 3.431 20 0 DGADMP CCC[NH+](CCC)CCCN1CC[NH+](CCC(F)(F)F)CC1 ZINC001202356148 1102956744 /nfs/dbraw/zinc/95/67/44/1102956744.db2.gz NKODNDZXBPBXPA-UHFFFAOYSA-N 2 1 323.447 3.069 20 0 DGADMP Fc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1Cl ZINC001244035507 1103156410 /nfs/dbraw/zinc/15/64/10/1103156410.db2.gz FLWUCELYHLCJSW-UHFFFAOYSA-N 2 1 309.747 3.090 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198946 1103233367 /nfs/dbraw/zinc/23/33/67/1103233367.db2.gz FVDPFBQQQDJFKZ-UXHICEINSA-N 2 1 324.472 3.194 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198946 1103233377 /nfs/dbraw/zinc/23/33/77/1103233377.db2.gz FVDPFBQQQDJFKZ-UXHICEINSA-N 2 1 324.472 3.194 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccccc3N3CCCC3)cn12 ZINC001244180410 1103260270 /nfs/dbraw/zinc/26/02/70/1103260270.db2.gz XKGNPMDIWUPWGR-UHFFFAOYSA-N 2 1 318.424 3.288 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]C[C@@H]2CCCS2)cc1 ZINC001326406543 1103301897 /nfs/dbraw/zinc/30/18/97/1103301897.db2.gz LIXLCVLMOOXSDO-TUVJXNFZSA-N 2 1 316.514 3.382 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326517040 1103352691 /nfs/dbraw/zinc/35/26/91/1103352691.db2.gz FPPDCRNKYZKENU-UHFFFAOYSA-N 2 1 324.472 3.146 20 0 DGADMP Cc1cccc(NC[C@H]2CCCN2Cc2cnc(C3CC3)nc2)n1 ZINC001326785830 1103443624 /nfs/dbraw/zinc/44/36/24/1103443624.db2.gz FZDBFJQKGOYICZ-QGZVFWFLSA-N 2 1 323.444 3.134 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001326819705 1103453513 /nfs/dbraw/zinc/45/35/13/1103453513.db2.gz UJEFNFXCPSYJRR-UHFFFAOYSA-N 2 1 312.461 3.003 20 0 DGADMP CC[NH+]1CCC(N(C)Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001326819705 1103453519 /nfs/dbraw/zinc/45/35/19/1103453519.db2.gz UJEFNFXCPSYJRR-UHFFFAOYSA-N 2 1 312.461 3.003 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001326819705 1103453528 /nfs/dbraw/zinc/45/35/28/1103453528.db2.gz UJEFNFXCPSYJRR-UHFFFAOYSA-N 2 1 312.461 3.003 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001326819705 1103453534 /nfs/dbraw/zinc/45/35/34/1103453534.db2.gz UJEFNFXCPSYJRR-UHFFFAOYSA-N 2 1 312.461 3.003 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccccc1N1CCCC1)C1CC1 ZINC001328108995 1103847833 /nfs/dbraw/zinc/84/78/33/1103847833.db2.gz WIAKRKKPBPELMD-UHFFFAOYSA-N 2 1 301.478 3.251 20 0 DGADMP CC(=O)c1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1F ZINC001245153360 1103886334 /nfs/dbraw/zinc/88/63/34/1103886334.db2.gz JPHWELXQLPODEL-UHFFFAOYSA-N 2 1 309.344 3.030 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001328492191 1103966542 /nfs/dbraw/zinc/96/65/42/1103966542.db2.gz LVHXDBIXMLSCLC-UHFFFAOYSA-N 2 1 302.462 3.148 20 0 DGADMP Cc1[nH+]ccn1-c1cc(-c2ccc(C3CC[NH2+]CC3)cc2)ncn1 ZINC001245524470 1104103449 /nfs/dbraw/zinc/10/34/49/1104103449.db2.gz TWQGVBOTGXTNQW-UHFFFAOYSA-N 2 1 319.412 3.105 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)ccc2c1 ZINC001137217184 1104158178 /nfs/dbraw/zinc/15/81/78/1104158178.db2.gz NIFDIRKGEFROAU-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP c1[nH+]cn2cc(-c3ccc([C@H]4CN5CCSC5=[NH+]4)cc3)ccc12 ZINC001245897321 1104294217 /nfs/dbraw/zinc/29/42/17/1104294217.db2.gz ZXVQEPWXRDYWEI-QGZVFWFLSA-N 2 1 320.421 3.461 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH2+][C@@H]1CC[NH2+]C1 ZINC001245979568 1104346011 /nfs/dbraw/zinc/34/60/11/1104346011.db2.gz VUTAVXYZPMMNBI-SJLPKXTDSA-N 2 1 324.896 3.001 20 0 DGADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001246023824 1104354636 /nfs/dbraw/zinc/35/46/36/1104354636.db2.gz UEZVKSLXSJVUFK-PWRODBHTSA-N 2 1 324.468 3.145 20 0 DGADMP CC(C)(C)[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246051285 1104358088 /nfs/dbraw/zinc/35/80/88/1104358088.db2.gz JJWBBSSUNGIDST-SFHVURJKSA-N 2 1 322.468 3.034 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246131412 1104400270 /nfs/dbraw/zinc/40/02/70/1104400270.db2.gz JVBMCUWEFUUMSA-DOMZBBRYSA-N 2 1 323.278 3.112 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC001246075143 1104370130 /nfs/dbraw/zinc/37/01/30/1104370130.db2.gz HQQQBHKLNUQROP-NHJHPMQKSA-N 2 1 307.441 3.352 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(F)c(Br)c2)C[C@H](C)[NH2+]1 ZINC001246077199 1104371254 /nfs/dbraw/zinc/37/12/54/1104371254.db2.gz RCCLFRHDCATBQW-UWVGGRQHSA-N 2 1 315.230 3.207 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC001329732104 1104372811 /nfs/dbraw/zinc/37/28/11/1104372811.db2.gz SKAJOIJSIQLSNX-FGTMMUONSA-N 2 1 304.478 3.207 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246079876 1104375153 /nfs/dbraw/zinc/37/51/53/1104375153.db2.gz LABQKBMVIAJMQS-KBPBESRZSA-N 2 1 316.367 3.451 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083274 1104375727 /nfs/dbraw/zinc/37/57/27/1104375727.db2.gz GPQAVHOKWAZWBH-ZOWXZIJZSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083274 1104375740 /nfs/dbraw/zinc/37/57/40/1104375740.db2.gz GPQAVHOKWAZWBH-ZOWXZIJZSA-N 2 1 300.368 3.367 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC)c2ccccc2)CC[NH2+]1 ZINC001246081264 1104376114 /nfs/dbraw/zinc/37/61/14/1104376114.db2.gz RPUNYJYMKRLQSU-BZSNNMDCSA-N 2 1 318.461 3.191 20 0 DGADMP CCCCCC1CCC([NH2+]CCCC[NH+]2CCNCC2)CC1 ZINC001246090771 1104381409 /nfs/dbraw/zinc/38/14/09/1104381409.db2.gz ZCUYIVFADORNLC-UHFFFAOYSA-N 2 1 309.542 3.401 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1)CC2 ZINC001246102287 1104386744 /nfs/dbraw/zinc/38/67/44/1104386744.db2.gz CLTRHLMUDNWAHF-MCIONIFRSA-N 2 1 322.880 3.184 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246114843 1104391755 /nfs/dbraw/zinc/39/17/55/1104391755.db2.gz OKMWDLILWBPRGL-SJPCQFCGSA-N 2 1 316.445 3.015 20 0 DGADMP F[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246116220 1104393695 /nfs/dbraw/zinc/39/36/95/1104393695.db2.gz WBAWCSSLOBKXEC-IAGOWNOFSA-N 2 1 310.844 3.269 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246118242 1104395193 /nfs/dbraw/zinc/39/51/93/1104395193.db2.gz OPPSDIIFAUHQJW-CKUKBARFSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246129647 1104400427 /nfs/dbraw/zinc/40/04/27/1104400427.db2.gz GVUJAQJJJLHRFX-UKRRQHHQSA-N 2 1 308.491 3.412 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246157768 1104410128 /nfs/dbraw/zinc/41/01/28/1104410128.db2.gz DTADICBWBJREMD-KGLIPLIRSA-N 2 1 304.331 3.465 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246164875 1104414032 /nfs/dbraw/zinc/41/40/32/1104414032.db2.gz CNHPNGBEOOSQDK-VQTJNVASSA-N 2 1 323.484 3.206 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246167287 1104415026 /nfs/dbraw/zinc/41/50/26/1104415026.db2.gz ZBGWHNCQVQKDLK-KLICCBINSA-N 3 1 319.468 3.034 20 0 DGADMP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC001246168004 1104415737 /nfs/dbraw/zinc/41/57/37/1104415737.db2.gz HPWPINDYQKLTSA-ZIAGYGMSSA-N 2 1 323.278 3.038 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246167290 1104415789 /nfs/dbraw/zinc/41/57/89/1104415789.db2.gz ZBGWHNCQVQKDLK-XPYUAMARSA-N 3 1 319.468 3.034 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167696 1104415851 /nfs/dbraw/zinc/41/58/51/1104415851.db2.gz DUAPOPJUBJCJGK-CEXWTWQISA-N 2 1 321.553 3.399 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167696 1104415853 /nfs/dbraw/zinc/41/58/53/1104415853.db2.gz DUAPOPJUBJCJGK-CEXWTWQISA-N 3 1 321.553 3.399 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167696 1104415857 /nfs/dbraw/zinc/41/58/57/1104415857.db2.gz DUAPOPJUBJCJGK-CEXWTWQISA-N 3 1 321.553 3.399 20 0 DGADMP CC[C@@H]1CC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246169957 1104417256 /nfs/dbraw/zinc/41/72/56/1104417256.db2.gz KFYZBXDLMLUPSE-BRSBDYLESA-N 3 1 309.542 3.253 20 0 DGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246177798 1104422243 /nfs/dbraw/zinc/42/22/43/1104422243.db2.gz KCQZNENJIYSIGC-MRXNPFEDSA-N 2 1 318.461 3.262 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(F)CCCNC1 ZINC001246184883 1104428458 /nfs/dbraw/zinc/42/84/58/1104428458.db2.gz VVNQTFSFPJFFTL-NHYWBVRUSA-N 2 1 302.796 3.091 20 0 DGADMP C[C@@]1([NH2+][C@H]2CCc3ccc(Br)cc3C2)CCC[NH2+]C1 ZINC001246190206 1104429348 /nfs/dbraw/zinc/42/93/48/1104429348.db2.gz QAPYKGZMPOGLKB-JKSUJKDBSA-N 2 1 323.278 3.038 20 0 DGADMP CCCC[NH+](CCCC)CCN[C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246193690 1104432002 /nfs/dbraw/zinc/43/20/02/1104432002.db2.gz OJJWJQHQWPYWIL-HUUCEWRRSA-N 2 1 323.447 3.161 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246193690 1104432010 /nfs/dbraw/zinc/43/20/10/1104432010.db2.gz OJJWJQHQWPYWIL-HUUCEWRRSA-N 2 1 323.447 3.161 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246194676 1104432314 /nfs/dbraw/zinc/43/23/14/1104432314.db2.gz SOBFVPNMLUZNGC-SFHVURJKSA-N 3 1 309.542 3.401 20 0 DGADMP CCCC[NH+](CCCC)CCN[C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246193683 1104432431 /nfs/dbraw/zinc/43/24/31/1104432431.db2.gz OJJWJQHQWPYWIL-CABCVRRESA-N 2 1 323.447 3.161 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246193683 1104432436 /nfs/dbraw/zinc/43/24/36/1104432436.db2.gz OJJWJQHQWPYWIL-CABCVRRESA-N 2 1 323.447 3.161 20 0 DGADMP CCCC[C@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206585 1104437081 /nfs/dbraw/zinc/43/70/81/1104437081.db2.gz IEXZHHYKRSJXAB-GJZGRUSLSA-N 2 1 300.487 3.384 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246219836 1104443169 /nfs/dbraw/zinc/44/31/69/1104443169.db2.gz HXHJRJWVFINFRQ-SWLSCSKDSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246226407 1104446167 /nfs/dbraw/zinc/44/61/67/1104446167.db2.gz GENPQGHUIMHGQW-WCQYABFASA-N 2 1 302.796 3.105 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246259377 1104462485 /nfs/dbraw/zinc/46/24/85/1104462485.db2.gz OJJGXPZGEBOFCR-LTIDMASMSA-N 2 1 310.869 3.272 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246260971 1104464177 /nfs/dbraw/zinc/46/41/77/1104464177.db2.gz UUUHXLMIBGWMQN-ZACQAIPSSA-N 2 1 310.869 3.274 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246261680 1104464329 /nfs/dbraw/zinc/46/43/29/1104464329.db2.gz VLVIZVBBWPETIZ-BRWVUGGUSA-N 2 1 310.869 3.274 20 0 DGADMP CCC1CCC(C2CCC([NH2+][C@H]3C[NH2+][C@@H](CO)C3)CC2)CC1 ZINC001246262729 1104464560 /nfs/dbraw/zinc/46/45/60/1104464560.db2.gz QAEYBYDGSSWVMA-XRKHFAFPSA-N 2 1 308.510 3.074 20 0 DGADMP CCOC(=O)[C@@H](CC1CCC1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246285081 1104473511 /nfs/dbraw/zinc/47/35/11/1104473511.db2.gz DFHAHXUPJYICIH-QGZVFWFLSA-N 2 1 322.493 3.010 20 0 DGADMP CCC[C@H]([NH2+]C1CCC2(CCC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246291693 1104475882 /nfs/dbraw/zinc/47/58/82/1104475882.db2.gz HSVSGBPOZSCEIU-WUJZJPHMSA-N 2 1 324.509 3.399 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246294815 1104476963 /nfs/dbraw/zinc/47/69/63/1104476963.db2.gz NDZNZCVBLAKAJC-SMDDNHRTSA-N 2 1 309.251 3.168 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1F ZINC001246295747 1104477266 /nfs/dbraw/zinc/47/72/66/1104477266.db2.gz WMEBCJXGDIUDKP-UMNHJUIQSA-N 2 1 315.230 3.379 20 0 DGADMP CCCC[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298732 1104479452 /nfs/dbraw/zinc/47/94/52/1104479452.db2.gz DSJQHPXRDVOZIZ-AQNXPRMDSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298732 1104479458 /nfs/dbraw/zinc/47/94/58/1104479458.db2.gz DSJQHPXRDVOZIZ-AQNXPRMDSA-N 2 1 315.505 3.161 20 0 DGADMP CC[C@H]([NH2+]C1CCC2(CCC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246322395 1104487737 /nfs/dbraw/zinc/48/77/37/1104487737.db2.gz ICNFVOGZSNQFSB-CSLYMUCUSA-N 2 1 310.482 3.009 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246331406 1104494030 /nfs/dbraw/zinc/49/40/30/1104494030.db2.gz BGPYBINFWFDCJC-KKXNLOMOSA-N 2 1 315.505 3.006 20 0 DGADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246335237 1104496295 /nfs/dbraw/zinc/49/62/95/1104496295.db2.gz YHNIGPACKACOSW-UKBAYJJMSA-N 2 1 303.494 3.001 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246358084 1104506095 /nfs/dbraw/zinc/50/60/95/1104506095.db2.gz YWIYDZGJXWIBRO-HBMCJLEFSA-N 2 1 324.468 3.327 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246360701 1104508105 /nfs/dbraw/zinc/50/81/05/1104508105.db2.gz ILAXXJYSUMPLRJ-BZSNNMDCSA-N 2 1 307.526 3.007 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246360729 1104508297 /nfs/dbraw/zinc/50/82/97/1104508297.db2.gz JCPWMGQGSOGEED-OALUTQOASA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246360729 1104508305 /nfs/dbraw/zinc/50/83/05/1104508305.db2.gz JCPWMGQGSOGEED-OALUTQOASA-N 3 1 319.537 3.153 20 0 DGADMP FC(F)(F)c1cccc(CC2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246382911 1104518933 /nfs/dbraw/zinc/51/89/33/1104518933.db2.gz GJDOJPVODQXBDZ-HNNXBMFYSA-N 2 1 312.379 3.370 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2OC)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246394143 1104524389 /nfs/dbraw/zinc/52/43/89/1104524389.db2.gz MASJRFJTSUQKPE-LHHMISFZSA-N 2 1 317.477 3.440 20 0 DGADMP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246394272 1104524604 /nfs/dbraw/zinc/52/46/04/1104524604.db2.gz RYFWPUBIQKAOMX-YIONKMFJSA-N 2 1 320.864 3.218 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccncc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246398753 1104525840 /nfs/dbraw/zinc/52/58/40/1104525840.db2.gz WJMRLJWHLBEDLY-GMXABZIVSA-N 2 1 313.367 3.282 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246412534 1104532726 /nfs/dbraw/zinc/53/27/26/1104532726.db2.gz ZZAWJZURESELAQ-NJAFHUGGSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246412535 1104533164 /nfs/dbraw/zinc/53/31/64/1104533164.db2.gz ZZAWJZURESELAQ-NXHRZFHOSA-N 2 1 318.461 3.006 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC001330316106 1104537199 /nfs/dbraw/zinc/53/71/99/1104537199.db2.gz ORNZZVFUMHPJLD-HOTGVXAUSA-N 2 1 302.462 3.394 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246440834 1104539878 /nfs/dbraw/zinc/53/98/78/1104539878.db2.gz FJIDJBHNTWPDJE-FHWLQOOXSA-N 3 1 319.468 3.040 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246440834 1104539884 /nfs/dbraw/zinc/53/98/84/1104539884.db2.gz FJIDJBHNTWPDJE-FHWLQOOXSA-N 3 1 319.468 3.040 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246437221 1104540509 /nfs/dbraw/zinc/54/05/09/1104540509.db2.gz UBKATNIYDJCWCZ-NVXWUHKLSA-N 2 1 302.462 3.138 20 0 DGADMP CC[C@]1([NH2+][C@H]2CCc3cccc(Br)c3C2)CC[NH2+]C1 ZINC001246456456 1104545862 /nfs/dbraw/zinc/54/58/62/1104545862.db2.gz ARDZODALURPWPK-BBRMVZONSA-N 2 1 323.278 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CCOCC2)c2ccccc2F)CC[NH2+]1 ZINC001246459820 1104547891 /nfs/dbraw/zinc/54/78/91/1104547891.db2.gz SRRUSNLXFXDIFF-ALKREAHSSA-N 2 1 320.452 3.414 20 0 DGADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460763 1104548287 /nfs/dbraw/zinc/54/82/87/1104548287.db2.gz NCPHPWVUXNTGCN-SWLSCSKDSA-N 2 1 316.367 3.248 20 0 DGADMP Cc1cccc2c1CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]CC1(F)F)C2 ZINC001246487311 1104560812 /nfs/dbraw/zinc/56/08/12/1104560812.db2.gz LEEBCACUGZQJHQ-JKSUJKDBSA-N 2 1 308.416 3.077 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246497212 1104564819 /nfs/dbraw/zinc/56/48/19/1104564819.db2.gz WIAFAYRUQXKPBC-UIHHKEIPSA-N 2 1 314.807 3.279 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CCOC)C[C@H]2CC1 ZINC001274980342 1104565352 /nfs/dbraw/zinc/56/53/52/1104565352.db2.gz JKGZNRRHCNGYQU-QRVBRYPASA-N 2 1 310.526 3.493 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CCOC)C[C@H]2CC1 ZINC001274980342 1104565359 /nfs/dbraw/zinc/56/53/59/1104565359.db2.gz JKGZNRRHCNGYQU-QRVBRYPASA-N 2 1 310.526 3.493 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](CCOC)C[C@H]2CC1 ZINC001274980342 1104565367 /nfs/dbraw/zinc/56/53/67/1104565367.db2.gz JKGZNRRHCNGYQU-QRVBRYPASA-N 2 1 310.526 3.493 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CCOC)C[C@H]2CC1 ZINC001274980341 1104565661 /nfs/dbraw/zinc/56/56/61/1104565661.db2.gz JKGZNRRHCNGYQU-GBESFXJTSA-N 2 1 310.526 3.493 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CCOC)C[C@H]2CC1 ZINC001274980341 1104565669 /nfs/dbraw/zinc/56/56/69/1104565669.db2.gz JKGZNRRHCNGYQU-GBESFXJTSA-N 2 1 310.526 3.493 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](CCOC)C[C@H]2CC1 ZINC001274980341 1104565674 /nfs/dbraw/zinc/56/56/74/1104565674.db2.gz JKGZNRRHCNGYQU-GBESFXJTSA-N 2 1 310.526 3.493 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001246504189 1104568453 /nfs/dbraw/zinc/56/84/53/1104568453.db2.gz NWPYKIVPLMFSNV-OAHLLOKOSA-N 2 1 320.477 3.292 20 0 DGADMP CCc1ccc(C[C@@H](C)N[C@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509900 1104570882 /nfs/dbraw/zinc/57/08/82/1104570882.db2.gz KKPFNRSLSLTGGZ-FOIQADDNSA-N 2 1 312.457 3.478 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)cc1C ZINC001246520369 1104575860 /nfs/dbraw/zinc/57/58/60/1104575860.db2.gz IGHCJWWLIIXIKV-UXHICEINSA-N 2 1 315.505 3.202 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246526963 1104577416 /nfs/dbraw/zinc/57/74/16/1104577416.db2.gz DGPAANVNDJRWDO-ROUUACIJSA-N 2 1 321.896 3.239 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001246525385 1104577971 /nfs/dbraw/zinc/57/79/71/1104577971.db2.gz XBIRWNPNSWUIOZ-MRXNPFEDSA-N 2 1 302.462 3.092 20 0 DGADMP CC(=O)Oc1ccc(C2CCC([N@H+]3CC[C@@](C)([NH3+])C3)CC2)cc1 ZINC001246529506 1104580407 /nfs/dbraw/zinc/58/04/07/1104580407.db2.gz KRZGFWHOKUVBNF-GXOAENINSA-N 2 1 316.445 3.061 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246546288 1104587777 /nfs/dbraw/zinc/58/77/77/1104587777.db2.gz JNEHLAMTBKIKBD-YJBOKZPZSA-N 2 1 318.461 3.056 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246546288 1104587787 /nfs/dbraw/zinc/58/77/87/1104587787.db2.gz JNEHLAMTBKIKBD-YJBOKZPZSA-N 2 1 318.461 3.056 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246546041 1104588490 /nfs/dbraw/zinc/58/84/90/1104588490.db2.gz MMYQCNOWNFJDTB-JSGCOSHPSA-N 2 1 311.267 3.193 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246552793 1104589574 /nfs/dbraw/zinc/58/95/74/1104589574.db2.gz VIQCVYOXHADPRL-MAUKXSAKSA-N 2 1 308.441 3.169 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCN1 ZINC001246551039 1104589729 /nfs/dbraw/zinc/58/97/29/1104589729.db2.gz KAPHXLJOCKOYLZ-NEWSRXKRSA-N 2 1 319.468 3.131 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCN1 ZINC001246551039 1104589736 /nfs/dbraw/zinc/58/97/36/1104589736.db2.gz KAPHXLJOCKOYLZ-NEWSRXKRSA-N 2 1 319.468 3.131 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549520 1104590130 /nfs/dbraw/zinc/59/01/30/1104590130.db2.gz LDEYKZOAZQYVQJ-MSOLQXFVSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549520 1104590137 /nfs/dbraw/zinc/59/01/37/1104590137.db2.gz LDEYKZOAZQYVQJ-MSOLQXFVSA-N 2 1 302.462 3.364 20 0 DGADMP COC1(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC001330601592 1104590331 /nfs/dbraw/zinc/59/03/31/1104590331.db2.gz HQIORLWVZXIEEF-UHFFFAOYSA-N 2 1 302.462 3.118 20 0 DGADMP COc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246549648 1104590771 /nfs/dbraw/zinc/59/07/71/1104590771.db2.gz HPXSCTPYKFPPIU-AEFFLSMTSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246549648 1104590778 /nfs/dbraw/zinc/59/07/78/1104590778.db2.gz HPXSCTPYKFPPIU-AEFFLSMTSA-N 2 1 302.462 3.220 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(OC)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246550045 1104591044 /nfs/dbraw/zinc/59/10/44/1104591044.db2.gz NLTZOVQHKAZAAC-BCDXTJNWSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3cc(OC)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246550045 1104591055 /nfs/dbraw/zinc/59/10/55/1104591055.db2.gz NLTZOVQHKAZAAC-BCDXTJNWSA-N 2 1 302.462 3.363 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554874 1104592861 /nfs/dbraw/zinc/59/28/61/1104592861.db2.gz FGNQQFWAYBUDGT-AAEUAGOBSA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554874 1104592866 /nfs/dbraw/zinc/59/28/66/1104592866.db2.gz FGNQQFWAYBUDGT-AAEUAGOBSA-N 2 1 302.796 3.187 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CC[C@H]1C[NH3+] ZINC001246558144 1104595447 /nfs/dbraw/zinc/59/54/47/1104595447.db2.gz MFXNCVXNGJXUOZ-HOTGVXAUSA-N 2 1 324.509 3.005 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC[C@@H]1C[NH3+] ZINC001246561493 1104595821 /nfs/dbraw/zinc/59/58/21/1104595821.db2.gz TZVQYAAYCMBERJ-XNRPHZJLSA-N 2 1 308.416 3.129 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C)CC2 ZINC001246564356 1104597095 /nfs/dbraw/zinc/59/70/95/1104597095.db2.gz NBJPLARERCOTDL-MELADBBJSA-N 2 1 322.880 3.265 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)ccc2c1 ZINC001246563588 1104597513 /nfs/dbraw/zinc/59/75/13/1104597513.db2.gz RZLVCBITIDAFEM-STXHMFSFSA-N 2 1 312.457 3.449 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCCC[C@@H](C[NH3+])C1)CC2 ZINC001246582072 1104603445 /nfs/dbraw/zinc/60/34/45/1104603445.db2.gz MITWPBHCYBCRDA-UONOGXRCSA-N 2 1 322.880 3.267 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578284 1104603486 /nfs/dbraw/zinc/60/34/86/1104603486.db2.gz AIPMGILHKJJLKN-NVXWUHKLSA-N 2 1 308.853 3.094 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578284 1104603488 /nfs/dbraw/zinc/60/34/88/1104603488.db2.gz AIPMGILHKJJLKN-NVXWUHKLSA-N 2 1 308.853 3.094 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580981 1104604195 /nfs/dbraw/zinc/60/41/95/1104604195.db2.gz OXUXXLAOZOSTMN-WMLDXEAASA-N 2 1 310.844 3.350 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580981 1104604204 /nfs/dbraw/zinc/60/42/04/1104604204.db2.gz OXUXXLAOZOSTMN-WMLDXEAASA-N 2 1 310.844 3.350 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1)C2 ZINC001246589296 1104607396 /nfs/dbraw/zinc/60/73/96/1104607396.db2.gz FGJDYBMBMCPTGZ-ZWKOTPCHSA-N 2 1 316.489 3.405 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(C(=O)OCC)C2)CC[NH2+]1 ZINC001246591847 1104609985 /nfs/dbraw/zinc/60/99/85/1104609985.db2.gz ODECMAHRAWTNRN-LMMKCTJWSA-N 2 1 324.509 3.353 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275075150 1104610436 /nfs/dbraw/zinc/61/04/36/1104610436.db2.gz ZOQMLMGRZICGFU-INIZCTEOSA-N 2 1 304.482 3.134 20 0 DGADMP CC(C)[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC001246593434 1104612998 /nfs/dbraw/zinc/61/29/98/1104612998.db2.gz NCSQQDMQOOZYTR-QGZVFWFLSA-N 3 1 307.526 3.151 20 0 DGADMP CCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246597926 1104614419 /nfs/dbraw/zinc/61/44/19/1104614419.db2.gz XVEMACWHTVAHQO-AOIWGVFYSA-N 2 1 324.509 3.210 20 0 DGADMP CC(C)N([C@H]1CCC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246597519 1104614729 /nfs/dbraw/zinc/61/47/29/1104614729.db2.gz XAAPWXNUXLHGGK-OALUTQOASA-N 2 1 307.526 3.246 20 0 DGADMP CC(C)N([C@@H]1CCC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246597520 1104615068 /nfs/dbraw/zinc/61/50/68/1104615068.db2.gz XAAPWXNUXLHGGK-RBUKOAKNSA-N 2 1 307.526 3.246 20 0 DGADMP CC(C)CC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275096580 1104617915 /nfs/dbraw/zinc/61/79/15/1104617915.db2.gz OFRSNRSTHOXARL-UHFFFAOYSA-N 2 1 317.477 3.121 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246602658 1104618377 /nfs/dbraw/zinc/61/83/77/1104618377.db2.gz ILRKESKNGUNLAZ-YJBOKZPZSA-N 2 1 304.865 3.273 20 0 DGADMP CCOC(=O)[C@H]1CC2(C[N@H+]1C1CCCCCCC1)CC[NH2+]CC2 ZINC001246601714 1104618711 /nfs/dbraw/zinc/61/87/11/1104618711.db2.gz LCCHREPOTIWWQD-QGZVFWFLSA-N 2 1 322.493 3.107 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246602799 1104620569 /nfs/dbraw/zinc/62/05/69/1104620569.db2.gz PQKSKUHHNOTBMW-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246602799 1104620575 /nfs/dbraw/zinc/62/05/75/1104620575.db2.gz PQKSKUHHNOTBMW-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](C)CCC=C(C)C)CC[NH2+]CC2 ZINC001246603915 1104620942 /nfs/dbraw/zinc/62/09/42/1104620942.db2.gz PFOWUYKAMRCXSM-IRXDYDNUSA-N 2 1 322.493 3.129 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]CC3)CS2 ZINC001246606038 1104621963 /nfs/dbraw/zinc/62/19/63/1104621963.db2.gz LTQLXUARPANLQM-AEFFLSMTSA-N 2 1 302.487 3.312 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@]34CCC[NH2+]C4)CCO2)cc1 ZINC001246605079 1104622078 /nfs/dbraw/zinc/62/20/78/1104622078.db2.gz AEXDLBVSMZNZQV-FHWLQOOXSA-N 2 1 300.446 3.125 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001246605764 1104622437 /nfs/dbraw/zinc/62/24/37/1104622437.db2.gz CSHDPUGFQOQENC-VQIMIIECSA-N 2 1 302.462 3.092 20 0 DGADMP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCO[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246614434 1104627693 /nfs/dbraw/zinc/62/76/93/1104627693.db2.gz BAIWJUULIVQTRV-MJGOQNOKSA-N 2 1 306.494 3.334 20 0 DGADMP CCC[N@H+]1C[C@@H]2CC[NH+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001275103720 1104627814 /nfs/dbraw/zinc/62/78/14/1104627814.db2.gz ONEAJWPJRDRINS-IYBDPMFKSA-N 2 1 312.461 3.117 20 0 DGADMP CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001275103720 1104627822 /nfs/dbraw/zinc/62/78/22/1104627822.db2.gz ONEAJWPJRDRINS-IYBDPMFKSA-N 2 1 312.461 3.117 20 0 DGADMP CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001275103720 1104627830 /nfs/dbraw/zinc/62/78/30/1104627830.db2.gz ONEAJWPJRDRINS-IYBDPMFKSA-N 2 1 312.461 3.117 20 0 DGADMP CCC[NH+]1C[C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001275103720 1104627837 /nfs/dbraw/zinc/62/78/37/1104627837.db2.gz ONEAJWPJRDRINS-IYBDPMFKSA-N 2 1 312.461 3.117 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CS2 ZINC001246613839 1104628606 /nfs/dbraw/zinc/62/86/06/1104628606.db2.gz QZOIXZRFFHUPAB-FUHWJXTLSA-N 2 1 302.487 3.169 20 0 DGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1(C)C ZINC001246615597 1104630100 /nfs/dbraw/zinc/63/01/00/1104630100.db2.gz XFENYGQOZZUACM-LJQANCHMSA-N 3 1 307.526 3.103 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1(C)C ZINC001246615597 1104630103 /nfs/dbraw/zinc/63/01/03/1104630103.db2.gz XFENYGQOZZUACM-LJQANCHMSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246625141 1104633057 /nfs/dbraw/zinc/63/30/57/1104633057.db2.gz RIDCXTYFZCLQEI-UZLBHIALSA-N 2 1 324.443 3.446 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627825 1104634185 /nfs/dbraw/zinc/63/41/85/1104634185.db2.gz XRNBYPDLCFROEC-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627825 1104634192 /nfs/dbraw/zinc/63/41/92/1104634192.db2.gz XRNBYPDLCFROEC-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631505 1104636035 /nfs/dbraw/zinc/63/60/35/1104636035.db2.gz QAEGVBKCKLTMIE-CZUORRHYSA-N 2 1 312.379 3.322 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246630248 1104636426 /nfs/dbraw/zinc/63/64/26/1104636426.db2.gz HYAIHISTXCYAMZ-APWZRJJASA-N 2 1 320.427 3.430 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246631549 1104636819 /nfs/dbraw/zinc/63/68/19/1104636819.db2.gz QTLQCPGAFOOZPQ-HSALFYBXSA-N 2 1 316.489 3.098 20 0 DGADMP CCCCCC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275126050 1104636896 /nfs/dbraw/zinc/63/68/96/1104636896.db2.gz PQHRYIZLNFQESB-UHFFFAOYSA-N 2 1 304.482 3.278 20 0 DGADMP Fc1cccc(N2CCC([N@@H+]3CCCC[C@]34CC[NH2+]C4)CC2)c1 ZINC001246641244 1104641853 /nfs/dbraw/zinc/64/18/53/1104641853.db2.gz CJCUYRXBTLRCAN-LJQANCHMSA-N 2 1 317.452 3.013 20 0 DGADMP Fc1cccc(N2CCC([N@H+]3CCCC[C@]34CC[NH2+]C4)CC2)c1 ZINC001246641244 1104641859 /nfs/dbraw/zinc/64/18/59/1104641859.db2.gz CJCUYRXBTLRCAN-LJQANCHMSA-N 2 1 317.452 3.013 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646394 1104643714 /nfs/dbraw/zinc/64/37/14/1104643714.db2.gz ZLNGROUVBZLQGY-CEXWTWQISA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCCC[C@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646394 1104643717 /nfs/dbraw/zinc/64/37/17/1104643717.db2.gz ZLNGROUVBZLQGY-CEXWTWQISA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646398 1104643738 /nfs/dbraw/zinc/64/37/38/1104643738.db2.gz ZLNGROUVBZLQGY-QYZOEREBSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCCC[C@@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646398 1104643741 /nfs/dbraw/zinc/64/37/41/1104643741.db2.gz ZLNGROUVBZLQGY-QYZOEREBSA-N 2 1 300.446 3.125 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648446 1104645921 /nfs/dbraw/zinc/64/59/21/1104645921.db2.gz YTUODXJKMLKGIY-OFQRWUPVSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648446 1104645924 /nfs/dbraw/zinc/64/59/24/1104645924.db2.gz YTUODXJKMLKGIY-OFQRWUPVSA-N 2 1 308.491 3.364 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275145067 1104646438 /nfs/dbraw/zinc/64/64/38/1104646438.db2.gz HKQMNPCWFHYEIE-AQNXPRMDSA-N 2 1 321.553 3.469 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649900 1104647116 /nfs/dbraw/zinc/64/71/16/1104647116.db2.gz RMSVEAYDODDIBR-BBRMVZONSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649900 1104647121 /nfs/dbraw/zinc/64/71/21/1104647121.db2.gz RMSVEAYDODDIBR-BBRMVZONSA-N 2 1 323.278 3.208 20 0 DGADMP Fc1cc2c(cc1F)CC([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C2 ZINC001246655536 1104650887 /nfs/dbraw/zinc/65/08/87/1104650887.db2.gz MCQJMCXWEKPQOV-IBGZPJMESA-N 2 1 320.427 3.286 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCCC2)C3)c1 ZINC001275152883 1104650941 /nfs/dbraw/zinc/65/09/41/1104650941.db2.gz COAMNFYHVVCFMN-LJQANCHMSA-N 2 1 301.478 3.493 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCCC2)C3)c1 ZINC001275152883 1104650944 /nfs/dbraw/zinc/65/09/44/1104650944.db2.gz COAMNFYHVVCFMN-LJQANCHMSA-N 2 1 301.478 3.493 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCC2)C3)c1 ZINC001275152883 1104650947 /nfs/dbraw/zinc/65/09/47/1104650947.db2.gz COAMNFYHVVCFMN-LJQANCHMSA-N 2 1 301.478 3.493 20 0 DGADMP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCC2)C3)c1 ZINC001275152883 1104650951 /nfs/dbraw/zinc/65/09/51/1104650951.db2.gz COAMNFYHVVCFMN-LJQANCHMSA-N 2 1 301.478 3.493 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246676303 1104657283 /nfs/dbraw/zinc/65/72/83/1104657283.db2.gz BRQXEVDRJYRNHX-QXAKKESOSA-N 2 1 316.489 3.338 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246678437 1104658843 /nfs/dbraw/zinc/65/88/43/1104658843.db2.gz NNAICCHRPAQYAY-BZSNNMDCSA-N 2 1 324.509 3.210 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001246679291 1104658939 /nfs/dbraw/zinc/65/89/39/1104658939.db2.gz TUXOMIYVPTUOFL-YTQUADARSA-N 2 1 316.489 3.338 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678460 1104658964 /nfs/dbraw/zinc/65/89/64/1104658964.db2.gz NUAIIOINZJRRML-IRXDYDNUSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246679514 1104660668 /nfs/dbraw/zinc/66/06/68/1104660668.db2.gz QBKMXYAZQGEKAW-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP c1cc2c(s1)CC[N@@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246683878 1104660726 /nfs/dbraw/zinc/66/07/26/1104660726.db2.gz VCVAXIHWNQRDJU-QZTJIDSGSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)CC[N@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246683878 1104660728 /nfs/dbraw/zinc/66/07/28/1104660728.db2.gz VCVAXIHWNQRDJU-QZTJIDSGSA-N 2 1 312.482 3.470 20 0 DGADMP Clc1cccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)c1 ZINC001246689801 1104661813 /nfs/dbraw/zinc/66/18/13/1104661813.db2.gz URKYUNNNNFUOAT-QGZVFWFLSA-N 2 1 319.880 3.137 20 0 DGADMP CCSC[C@@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246686361 1104661823 /nfs/dbraw/zinc/66/18/23/1104661823.db2.gz RURBLWZABOFLOT-NXHRZFHOSA-N 2 1 304.503 3.207 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001246691648 1104661954 /nfs/dbraw/zinc/66/19/54/1104661954.db2.gz LYGASNXTYVNRGS-KSZLIROESA-N 2 1 322.855 3.221 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)CC[NH2+]1 ZINC001246733113 1104665509 /nfs/dbraw/zinc/66/55/09/1104665509.db2.gz JMITYUFTSVKDOF-NEWSRXKRSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)CC[NH2+]1 ZINC001246733115 1104665879 /nfs/dbraw/zinc/66/58/79/1104665879.db2.gz JMITYUFTSVKDOF-QRQLOZEOSA-N 2 1 314.473 3.166 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246777308 1104668290 /nfs/dbraw/zinc/66/82/90/1104668290.db2.gz FEPKTQKZJHJOTG-QAPCUYQASA-N 2 1 318.461 3.069 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC[NH2+]1 ZINC001246779493 1104669055 /nfs/dbraw/zinc/66/90/55/1104669055.db2.gz IEKVVFBKEPUDDU-MOPGFXCFSA-N 3 1 309.542 3.349 20 0 DGADMP CC[C@@H]1C[C@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774416 1104669076 /nfs/dbraw/zinc/66/90/76/1104669076.db2.gz FARGNRQHPIZNRZ-NMLBUPMWSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1C[C@H](N2CCN(C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774416 1104669078 /nfs/dbraw/zinc/66/90/78/1104669078.db2.gz FARGNRQHPIZNRZ-NMLBUPMWSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1CC(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774417 1104669235 /nfs/dbraw/zinc/66/92/35/1104669235.db2.gz FARGNRQHPIZNRZ-QWFCFKBJSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1CC(N2CCN(C)[C@@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774417 1104669237 /nfs/dbraw/zinc/66/92/37/1104669237.db2.gz FARGNRQHPIZNRZ-QWFCFKBJSA-N 2 1 315.505 3.284 20 0 DGADMP CCCC[C@@H]1C[C@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246773551 1104669319 /nfs/dbraw/zinc/66/93/19/1104669319.db2.gz ARDFYUAXWGAQLT-AQNXPRMDSA-N 2 1 315.505 3.286 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](C3C[C@H](C)[NH2+][C@@H](C)C3)C2)cc1 ZINC001246781489 1104670453 /nfs/dbraw/zinc/67/04/53/1104670453.db2.gz GBBJJKSKAXPVJV-TXPKVOOTSA-N 2 1 302.462 3.367 20 0 DGADMP COC(=O)CC[N@@H+](C1CCCC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246780238 1104670699 /nfs/dbraw/zinc/67/06/99/1104670699.db2.gz BHNCOFPUGJGZEZ-QGZVFWFLSA-N 2 1 322.493 3.249 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246780956 1104670825 /nfs/dbraw/zinc/67/08/25/1104670825.db2.gz APDOCMIOJMCNIK-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246780956 1104670830 /nfs/dbraw/zinc/67/08/30/1104670830.db2.gz APDOCMIOJMCNIK-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)cc1 ZINC001246781233 1104670868 /nfs/dbraw/zinc/67/08/68/1104670868.db2.gz BXSXITYTVPEPLK-LJQANCHMSA-N 2 1 314.473 3.452 20 0 DGADMP CCC1(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)COC1 ZINC001275188903 1104671663 /nfs/dbraw/zinc/67/16/63/1104671663.db2.gz ZEIJLSRNKZQHAM-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](CCC(=O)OC)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246782443 1104672208 /nfs/dbraw/zinc/67/22/08/1104672208.db2.gz JVXZRKKDMWQIES-SCAQPMJSSA-N 2 1 310.482 3.103 20 0 DGADMP c1ccc([C@H]2CCC[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246781904 1104672418 /nfs/dbraw/zinc/67/24/18/1104672418.db2.gz YJORFJUKXZGCHV-HDYDNRTBSA-N 2 1 314.473 3.167 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246784637 1104673903 /nfs/dbraw/zinc/67/39/03/1104673903.db2.gz HGFDCULXXBUGSW-ZHALLVOQSA-N 2 1 302.462 3.451 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246784900 1104673909 /nfs/dbraw/zinc/67/39/09/1104673909.db2.gz HMYDRHMJMUMBRN-JQHSSLGASA-N 2 1 306.425 3.055 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246787966 1104675145 /nfs/dbraw/zinc/67/51/45/1104675145.db2.gz SNNDBJNNQLWZPS-SFHVURJKSA-N 2 1 314.473 3.370 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246787979 1104675293 /nfs/dbraw/zinc/67/52/93/1104675293.db2.gz SPUYXXWCIWHURV-QYZOEREBSA-N 2 1 302.462 3.054 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246787924 1104675374 /nfs/dbraw/zinc/67/53/74/1104675374.db2.gz SDNQMVIKYIWARU-QXAKKESOSA-N 2 1 318.436 3.201 20 0 DGADMP CC[N@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246795916 1104678953 /nfs/dbraw/zinc/67/89/53/1104678953.db2.gz JRUFVSSKMCMWEA-PKOBYXMFSA-N 2 1 319.468 3.001 20 0 DGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246795916 1104678956 /nfs/dbraw/zinc/67/89/56/1104678956.db2.gz JRUFVSSKMCMWEA-PKOBYXMFSA-N 2 1 319.468 3.001 20 0 DGADMP CC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246795914 1104679748 /nfs/dbraw/zinc/67/97/48/1104679748.db2.gz JRUFVSSKMCMWEA-IEBWSBKVSA-N 2 1 319.468 3.001 20 0 DGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246795914 1104679753 /nfs/dbraw/zinc/67/97/53/1104679753.db2.gz JRUFVSSKMCMWEA-IEBWSBKVSA-N 2 1 319.468 3.001 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001275223502 1104682100 /nfs/dbraw/zinc/68/21/00/1104682100.db2.gz APIJMFGLZBMBTG-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001275223502 1104682108 /nfs/dbraw/zinc/68/21/08/1104682108.db2.gz APIJMFGLZBMBTG-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001275223502 1104682112 /nfs/dbraw/zinc/68/21/12/1104682112.db2.gz APIJMFGLZBMBTG-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246812920 1104687491 /nfs/dbraw/zinc/68/74/91/1104687491.db2.gz FPTISMWMDVMUJS-FZMZJTMJSA-N 2 1 313.272 3.392 20 0 DGADMP COc1ccccc1CC[N@@H+](C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246812952 1104687522 /nfs/dbraw/zinc/68/75/22/1104687522.db2.gz GGUGKRSZNLNWSE-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246838583 1104699101 /nfs/dbraw/zinc/69/91/01/1104699101.db2.gz DCTISIGDZTZZIW-MIFYACCESA-N 2 1 323.278 3.269 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838962 1104699559 /nfs/dbraw/zinc/69/95/59/1104699559.db2.gz KVQIICRTGCNOOZ-DLBZAZTESA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838962 1104699562 /nfs/dbraw/zinc/69/95/62/1104699562.db2.gz KVQIICRTGCNOOZ-DLBZAZTESA-N 2 1 320.477 3.446 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246841156 1104701770 /nfs/dbraw/zinc/70/17/70/1104701770.db2.gz UDLGDVUZXVKPQN-WFASDCNBSA-N 2 1 311.267 3.412 20 0 DGADMP CC[C@@H]1CC([N@H+](C)Cc2ccc(OC)cc2OC)C[C@@H](CC)[NH2+]1 ZINC001246842009 1104702846 /nfs/dbraw/zinc/70/28/46/1104702846.db2.gz SMBFWZAWYKNYMV-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@@H](CC)[NH2+]1 ZINC001246842009 1104702851 /nfs/dbraw/zinc/70/28/51/1104702851.db2.gz SMBFWZAWYKNYMV-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843291 1104703051 /nfs/dbraw/zinc/70/30/51/1104703051.db2.gz FPDZCPADVOYQQQ-IEBWSBKVSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843291 1104703060 /nfs/dbraw/zinc/70/30/60/1104703060.db2.gz FPDZCPADVOYQQQ-IEBWSBKVSA-N 2 1 314.473 3.166 20 0 DGADMP CCC[C@H](CCc1ccccc1)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246842096 1104703344 /nfs/dbraw/zinc/70/33/44/1104703344.db2.gz AQGAXCWXTZHVHW-GOSISDBHSA-N 2 1 316.489 3.241 20 0 DGADMP CCC[C@H](CCc1ccccc1)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246842096 1104703350 /nfs/dbraw/zinc/70/33/50/1104703350.db2.gz AQGAXCWXTZHVHW-GOSISDBHSA-N 2 1 316.489 3.241 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246842996 1104704013 /nfs/dbraw/zinc/70/40/13/1104704013.db2.gz ARKXQLCFSQKLRF-UHFFFAOYSA-N 2 1 316.445 3.160 20 0 DGADMP CCC(C)(C)C1CCC([N@H+](C2COC2)C2CC[NH2+]CC2)CC1 ZINC001246848855 1104706656 /nfs/dbraw/zinc/70/66/56/1104706656.db2.gz WYISDTLJVWIHPX-UHFFFAOYSA-N 2 1 308.510 3.434 20 0 DGADMP CCC(C)(C)C1CCC([N@@H+](C2COC2)C2CC[NH2+]CC2)CC1 ZINC001246848855 1104706662 /nfs/dbraw/zinc/70/66/62/1104706662.db2.gz WYISDTLJVWIHPX-UHFFFAOYSA-N 2 1 308.510 3.434 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848677 1104706720 /nfs/dbraw/zinc/70/67/20/1104706720.db2.gz ZPVHNKGLSSXXBL-HOTGVXAUSA-N 2 1 304.434 3.158 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848677 1104706729 /nfs/dbraw/zinc/70/67/29/1104706729.db2.gz ZPVHNKGLSSXXBL-HOTGVXAUSA-N 2 1 304.434 3.158 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848818 1104707096 /nfs/dbraw/zinc/70/70/96/1104707096.db2.gz CIUPVZFUZHQDQY-YSVLISHTSA-N 2 1 308.853 3.324 20 0 DGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246848004 1104707255 /nfs/dbraw/zinc/70/72/55/1104707255.db2.gz URCDOUCWLWOJHJ-PMPSAXMXSA-N 2 1 312.523 3.097 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+](C3C[C@@H]4C=C[C@H](C3)[NH2+]4)C2)cc1 ZINC001246852108 1104707388 /nfs/dbraw/zinc/70/73/88/1104707388.db2.gz PHFCECZFLQCXIY-ONYGOOLBSA-N 2 1 318.848 3.242 20 0 DGADMP CCN([C@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246853311 1104708330 /nfs/dbraw/zinc/70/83/30/1104708330.db2.gz UWBBQDBXDFUHBS-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246853114 1104708558 /nfs/dbraw/zinc/70/85/58/1104708558.db2.gz TVUGCGBCWMPLSE-RDJZCZTQSA-N 2 1 308.853 3.325 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246862895 1104710460 /nfs/dbraw/zinc/71/04/60/1104710460.db2.gz SGUWSDYSQTZWJZ-XPKDYRNWSA-N 2 1 323.278 3.193 20 0 DGADMP C1CCC2(CC1)C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)CCO2 ZINC001246860253 1104710744 /nfs/dbraw/zinc/71/07/44/1104710744.db2.gz FWPFLVXKUBFBHC-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP c1ccc(COC2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)CC2)cc1 ZINC001246868218 1104714744 /nfs/dbraw/zinc/71/47/44/1104714744.db2.gz RHLROVBTLVGVNL-VCAKUFKGSA-N 2 1 314.473 3.198 20 0 DGADMP c1ccc(COC2CCC([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)CC2)cc1 ZINC001246868218 1104714748 /nfs/dbraw/zinc/71/47/48/1104714748.db2.gz RHLROVBTLVGVNL-VCAKUFKGSA-N 2 1 314.473 3.198 20 0 DGADMP CC[C@@H]1CC([N@H+](C)Cc2cccc(OC)c2OC)C[C@@H](CC)[NH2+]1 ZINC001246867398 1104714994 /nfs/dbraw/zinc/71/49/94/1104714994.db2.gz HRYGMPCSOJLUPT-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)Cc2cccc(OC)c2OC)C[C@@H](CC)[NH2+]1 ZINC001246867398 1104715002 /nfs/dbraw/zinc/71/50/02/1104715002.db2.gz HRYGMPCSOJLUPT-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP CCC[N@H+]([C@H](C)CC[NH2+]C)[C@@H](C)C(=O)Nc1ccccc1C ZINC001246879536 1104718736 /nfs/dbraw/zinc/71/87/36/1104718736.db2.gz BXCBYAMVPFKDJQ-CVEARBPZSA-N 2 1 305.466 3.032 20 0 DGADMP CCC[N@@H+]([C@H](C)CC[NH2+]C)[C@@H](C)C(=O)Nc1ccccc1C ZINC001246879536 1104718741 /nfs/dbraw/zinc/71/87/41/1104718741.db2.gz BXCBYAMVPFKDJQ-CVEARBPZSA-N 2 1 305.466 3.032 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246881097 1104719440 /nfs/dbraw/zinc/71/94/40/1104719440.db2.gz XQCFDBQZBOYQPO-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246884061 1104721075 /nfs/dbraw/zinc/72/10/75/1104721075.db2.gz SEQQJIXMLFPREZ-ROUUACIJSA-N 2 1 316.489 3.480 20 0 DGADMP c1csc([C@H]2C[NH2+]CCN2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001246883677 1104721426 /nfs/dbraw/zinc/72/14/26/1104721426.db2.gz DZDXBFVLSANWOY-DLBZAZTESA-N 2 1 319.518 3.101 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246883050 1104721657 /nfs/dbraw/zinc/72/16/57/1104721657.db2.gz UDBLVFFAHMSNDG-BXWFABGCSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246885416 1104723314 /nfs/dbraw/zinc/72/33/14/1104723314.db2.gz FOQPCAXOFFRFCJ-ZWKOTPCHSA-N 2 1 318.505 3.426 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246891960 1104726107 /nfs/dbraw/zinc/72/61/07/1104726107.db2.gz ZGUQJOPWBNFNCS-AEFFLSMTSA-N 2 1 316.489 3.480 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C1 ZINC001275333306 1104726388 /nfs/dbraw/zinc/72/63/88/1104726388.db2.gz LWQLWLWDAZSGQD-UHFFFAOYSA-N 2 1 324.472 3.385 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC001275333306 1104726410 /nfs/dbraw/zinc/72/64/10/1104726410.db2.gz LWQLWLWDAZSGQD-UHFFFAOYSA-N 2 1 324.472 3.385 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC001275333306 1104726417 /nfs/dbraw/zinc/72/64/17/1104726417.db2.gz LWQLWLWDAZSGQD-UHFFFAOYSA-N 2 1 324.472 3.385 20 0 DGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2c(cccc2OC)C1 ZINC001246900043 1104729255 /nfs/dbraw/zinc/72/92/55/1104729255.db2.gz TUDYAKLWESAYHL-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP CCC[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC001246903728 1104729661 /nfs/dbraw/zinc/72/96/61/1104729661.db2.gz QEHSYOZNKRCJPK-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001246906401 1104729816 /nfs/dbraw/zinc/72/98/16/1104729816.db2.gz BIIYCFREMWMZOM-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904445 1104730868 /nfs/dbraw/zinc/73/08/68/1104730868.db2.gz GAHNVXCWFMTGPK-DLBZAZTESA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904445 1104730873 /nfs/dbraw/zinc/73/08/73/1104730873.db2.gz GAHNVXCWFMTGPK-DLBZAZTESA-N 2 1 302.462 3.364 20 0 DGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246909717 1104731329 /nfs/dbraw/zinc/73/13/29/1104731329.db2.gz HMYDRHMJMUMBRN-CGTJXYLNSA-N 2 1 306.425 3.055 20 0 DGADMP CC(C)[C@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246909718 1104731641 /nfs/dbraw/zinc/73/16/41/1104731641.db2.gz HMYDRHMJMUMBRN-KBAYOESNSA-N 2 1 306.425 3.055 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246907375 1104732024 /nfs/dbraw/zinc/73/20/24/1104732024.db2.gz QXEOYCABIZHPSN-XLAORIBOSA-N 2 1 324.509 3.208 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)C1(C)CC[NH2+]CC1)CC2 ZINC001246909742 1104732538 /nfs/dbraw/zinc/73/25/38/1104732538.db2.gz KGMLZNSDFSWIGU-ZDUSSCGKSA-N 2 1 322.880 3.280 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246911821 1104734607 /nfs/dbraw/zinc/73/46/07/1104734607.db2.gz DNJWLCJSDTYHTH-JJTUDDRGSA-N 2 1 322.493 3.102 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246916757 1104735757 /nfs/dbraw/zinc/73/57/57/1104735757.db2.gz PUKFDBPMNFUVGO-LNLFQRSKSA-N 2 1 315.505 3.112 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943062 1104745462 /nfs/dbraw/zinc/74/54/62/1104745462.db2.gz OXTYBDFTHJQLFB-RTBURBONSA-N 2 1 320.452 3.337 20 0 DGADMP CCOCC[C@H](C)[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246943223 1104746070 /nfs/dbraw/zinc/74/60/70/1104746070.db2.gz PKWWDCSBMFRTEN-INIZCTEOSA-N 2 1 322.468 3.442 20 0 DGADMP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)nc1 ZINC001275402033 1104746897 /nfs/dbraw/zinc/74/68/97/1104746897.db2.gz XUUJXAOICQJNFX-UXHICEINSA-N 2 1 324.472 3.443 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246946528 1104747417 /nfs/dbraw/zinc/74/74/17/1104747417.db2.gz QPBFOQLYBCYUDU-KURKYZTESA-N 2 1 314.473 3.358 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)C2)c1 ZINC001246949019 1104748054 /nfs/dbraw/zinc/74/80/54/1104748054.db2.gz RRZUJGLXXLUPOC-LMMKCTJWSA-N 2 1 302.462 3.261 20 0 DGADMP Clc1ccc(C[N@@H+]([C@H]2CCSC2)C2CC[NH2+]CC2)cc1 ZINC001246947693 1104748065 /nfs/dbraw/zinc/74/80/65/1104748065.db2.gz WXKMYIUGDJPLAO-INIZCTEOSA-N 2 1 310.894 3.400 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246947352 1104748180 /nfs/dbraw/zinc/74/81/80/1104748180.db2.gz WDQNWROBGOQJHU-UHFFFAOYSA-N 3 1 321.553 3.399 20 0 DGADMP CC(C)(C)C[N@H+](C1CCNCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246947352 1104748186 /nfs/dbraw/zinc/74/81/86/1104748186.db2.gz WDQNWROBGOQJHU-UHFFFAOYSA-N 2 1 321.553 3.399 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCNCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246947352 1104748197 /nfs/dbraw/zinc/74/81/97/1104748197.db2.gz WDQNWROBGOQJHU-UHFFFAOYSA-N 2 1 321.553 3.399 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c1 ZINC001246951541 1104750270 /nfs/dbraw/zinc/75/02/70/1104750270.db2.gz LLKQVLOFEBUAAX-HGKCTWBKSA-N 2 1 302.437 3.487 20 0 DGADMP Cc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246958589 1104752902 /nfs/dbraw/zinc/75/29/02/1104752902.db2.gz TZLQMNOFJWHAFR-ALXJQNPVSA-N 2 1 302.437 3.487 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246967965 1104754839 /nfs/dbraw/zinc/75/48/39/1104754839.db2.gz QCFHAUCANSBNNL-WFASDCNBSA-N 2 1 316.367 3.187 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246970704 1104755580 /nfs/dbraw/zinc/75/55/80/1104755580.db2.gz CDPRVIVWMLCKRB-GUYCJALGSA-N 2 1 320.427 3.286 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246971538 1104756196 /nfs/dbraw/zinc/75/61/96/1104756196.db2.gz HDHPUYPCTABLEO-MAUKXSAKSA-N 2 1 314.473 3.017 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246971658 1104756248 /nfs/dbraw/zinc/75/62/48/1104756248.db2.gz WQEMSPONZQWPMY-WDSOQIARSA-N 3 1 309.542 3.479 20 0 DGADMP C[C@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)CO1 ZINC001246973555 1104756302 /nfs/dbraw/zinc/75/63/02/1104756302.db2.gz GLCOVMPNPHFHPQ-MTFMMBMASA-N 2 1 314.473 3.371 20 0 DGADMP Fc1cccc2c1C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972557 1104757007 /nfs/dbraw/zinc/75/70/07/1104757007.db2.gz KJMNHUIJXAOACV-WMLDXEAASA-N 2 1 302.437 3.147 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)CC[NH2+]1 ZINC001246972929 1104757214 /nfs/dbraw/zinc/75/72/14/1104757214.db2.gz KTZBRUFXVORSJB-KZNAEPCWSA-N 2 1 317.477 3.154 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246978383 1104759573 /nfs/dbraw/zinc/75/95/73/1104759573.db2.gz SSENDGJOBDLIBM-KRWDZBQOSA-N 2 1 320.427 3.429 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246977022 1104759752 /nfs/dbraw/zinc/75/97/52/1104759752.db2.gz RHUCNNSTQAJECW-WXYCVUISSA-N 2 1 323.278 3.049 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246979307 1104761460 /nfs/dbraw/zinc/76/14/60/1104761460.db2.gz OLQLCGHLJFSBMQ-LPHOPBHVSA-N 2 1 316.445 3.160 20 0 DGADMP CN(C)CC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246984529 1104762568 /nfs/dbraw/zinc/76/25/68/1104762568.db2.gz IUMWFLGVSIDQMB-LJQANCHMSA-N 2 1 321.553 3.495 20 0 DGADMP CN(C)CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246984529 1104762573 /nfs/dbraw/zinc/76/25/73/1104762573.db2.gz IUMWFLGVSIDQMB-LJQANCHMSA-N 2 1 321.553 3.495 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2C[C@H](CC)[NH2+][C@@H](CC)C2)C[C@H]1C ZINC001246985104 1104763300 /nfs/dbraw/zinc/76/33/00/1104763300.db2.gz AYSPRLPJVPIXEZ-QZWWFDLISA-N 2 1 324.509 3.207 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)C2)n1 ZINC001246988295 1104764718 /nfs/dbraw/zinc/76/47/18/1104764718.db2.gz GAXLAAMSHAGTNF-KSZLIROESA-N 2 1 317.477 3.010 20 0 DGADMP Brc1ccc(C2=CC[N@@H+](C3CC[NH2+]CC3)CC2)cc1 ZINC001246997568 1104768604 /nfs/dbraw/zinc/76/86/04/1104768604.db2.gz OPBXQLNCLGMAIS-UHFFFAOYSA-N 2 1 321.262 3.290 20 0 DGADMP Brc1ccc(C2=CC[N@H+](C3CC[NH2+]CC3)CC2)cc1 ZINC001246997568 1104768611 /nfs/dbraw/zinc/76/86/11/1104768611.db2.gz OPBXQLNCLGMAIS-UHFFFAOYSA-N 2 1 321.262 3.290 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246997441 1104769572 /nfs/dbraw/zinc/76/95/72/1104769572.db2.gz VPGYJBKAXQYFSW-DLBZAZTESA-N 2 1 316.445 3.141 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[N@@H+]([C@H]1CCC3(C[NH2+]C3)C1)C2 ZINC001246997702 1104770577 /nfs/dbraw/zinc/77/05/77/1104770577.db2.gz ATJJDIOOYJOCJC-ZDUSSCGKSA-N 2 1 311.256 3.494 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC001246998098 1104770633 /nfs/dbraw/zinc/77/06/33/1104770633.db2.gz DTPSARQRUAKOEN-SQNIBIBYSA-N 2 1 302.462 3.233 20 0 DGADMP CC[C@@H]1C[C@H](N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000620 1104771091 /nfs/dbraw/zinc/77/10/91/1104771091.db2.gz FWBOTQWCSSXHBS-ATZDWAIDSA-N 2 1 319.468 3.035 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247001005 1104771110 /nfs/dbraw/zinc/77/11/10/1104771110.db2.gz YQZKJIGCRGVGNK-XNZWDKRCSA-N 2 1 314.448 3.389 20 0 DGADMP CC[C@@H]1C[C@H](N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000622 1104771846 /nfs/dbraw/zinc/77/18/46/1104771846.db2.gz FWBOTQWCSSXHBS-KFKAGJAMSA-N 2 1 319.468 3.035 20 0 DGADMP CCCCC[C@H](CCC)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247009167 1104775524 /nfs/dbraw/zinc/77/55/24/1104775524.db2.gz OVNVDLHYCUEJBT-IRXDYDNUSA-N 2 1 324.509 3.210 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001247017180 1104779522 /nfs/dbraw/zinc/77/95/22/1104779522.db2.gz RWUQXFIGVHHGFF-YYWXWVFPSA-N 2 1 323.278 3.440 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4ncsc4c3)C[C@H]2CC1 ZINC001275558321 1104808221 /nfs/dbraw/zinc/80/82/21/1104808221.db2.gz CSJSMODXNZHUJY-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ncsc4c3)C[C@H]2CC1 ZINC001275558321 1104808225 /nfs/dbraw/zinc/80/82/25/1104808225.db2.gz CSJSMODXNZHUJY-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ncsc4c3)C[C@H]2CC1 ZINC001275558321 1104808232 /nfs/dbraw/zinc/80/82/32/1104808232.db2.gz CSJSMODXNZHUJY-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1Cl)CC2 ZINC001275684644 1104863614 /nfs/dbraw/zinc/86/36/14/1104863614.db2.gz IBFXDCSPZFRTFA-UHFFFAOYSA-N 2 1 318.852 3.086 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C(F)(F)F)cn3)(C1)CCC2 ZINC001275703142 1104870538 /nfs/dbraw/zinc/87/05/38/1104870538.db2.gz POKVOBIFANEWQK-LSDHHAIUSA-N 2 1 313.367 3.255 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(C)c1 ZINC001275792546 1104910213 /nfs/dbraw/zinc/91/02/13/1104910213.db2.gz YVTHUJNGRZWLDT-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2ccccc2Oc2ccccc2)no1 ZINC001247506346 1104914599 /nfs/dbraw/zinc/91/45/99/1104914599.db2.gz BPRNWJHSILMBDU-HNNXBMFYSA-N 2 1 324.384 3.268 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001247693556 1104957507 /nfs/dbraw/zinc/95/75/07/1104957507.db2.gz PLYIKCYKZLOZOP-LBPRGKRZSA-N 2 1 320.780 3.265 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc3sccc3c2)no1 ZINC001247693524 1104957802 /nfs/dbraw/zinc/95/78/02/1104957802.db2.gz PGNVIGBCHCSFDZ-LBPRGKRZSA-N 2 1 302.403 3.080 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001280777191 1104985329 /nfs/dbraw/zinc/98/53/29/1104985329.db2.gz NWVGGOGZZPHBOE-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP COC(C)(C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276027241 1104991467 /nfs/dbraw/zinc/99/14/67/1104991467.db2.gz XAYAMTJPQQQMPF-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP COC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276027241 1104991471 /nfs/dbraw/zinc/99/14/71/1104991471.db2.gz XAYAMTJPQQQMPF-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP COC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276027241 1104991476 /nfs/dbraw/zinc/99/14/76/1104991476.db2.gz XAYAMTJPQQQMPF-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP COC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276027241 1104991479 /nfs/dbraw/zinc/99/14/79/1104991479.db2.gz XAYAMTJPQQQMPF-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cncs4)(C2)CCC3)c1 ZINC001276059805 1105007038 /nfs/dbraw/zinc/00/70/38/1105007038.db2.gz PXKAMNLGNIMQKA-DLBZAZTESA-N 2 1 316.474 3.196 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3ncc(Cl)cc13)CC2 ZINC001276077739 1105009275 /nfs/dbraw/zinc/00/92/75/1105009275.db2.gz FJBPEALAKSYALQ-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP Cc1cc(C)cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276171219 1105035897 /nfs/dbraw/zinc/03/58/97/1105035897.db2.gz GLIOAFFRYJFXSL-UHFFFAOYSA-N 2 1 324.472 3.125 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cncc(F)c3Cl)CC2)C1 ZINC001276236733 1105057810 /nfs/dbraw/zinc/05/78/10/1105057810.db2.gz UOQXYZMKNZJYDV-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP Cc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276255708 1105064469 /nfs/dbraw/zinc/06/44/69/1105064469.db2.gz CMXPKHMRBVLBRW-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1F ZINC001248193678 1105066170 /nfs/dbraw/zinc/06/61/70/1105066170.db2.gz AGONVUNSMWLLTH-ZDUSSCGKSA-N 2 1 324.375 3.055 20 0 DGADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1Cl ZINC001248193907 1105066269 /nfs/dbraw/zinc/06/62/69/1105066269.db2.gz BNRPXRDZIWGYER-ZDUSSCGKSA-N 2 1 322.840 3.430 20 0 DGADMP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001276261981 1105067199 /nfs/dbraw/zinc/06/71/99/1105067199.db2.gz RGYRXNSQQDDQKM-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c4ccoc4ccc3F)C2)CC1 ZINC001248541650 1105124921 /nfs/dbraw/zinc/12/49/21/1105124921.db2.gz HSSYEHCHLLTLNN-UHFFFAOYSA-N 2 1 302.393 3.490 20 0 DGADMP Cc1ccc(Cl)c(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248897452 1105189133 /nfs/dbraw/zinc/18/91/33/1105189133.db2.gz YYQDELSANBXWJB-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP Cc1cccc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)c1Cl ZINC001248895201 1105189156 /nfs/dbraw/zinc/18/91/56/1105189156.db2.gz BHYZOUQQDCEXHB-ZDUSSCGKSA-N 2 1 320.824 3.088 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001248964667 1105205135 /nfs/dbraw/zinc/20/51/35/1105205135.db2.gz ZKWZVCOUZIKPBA-INIZCTEOSA-N 2 1 314.433 3.345 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1C ZINC001249906362 1105404711 /nfs/dbraw/zinc/40/47/11/1105404711.db2.gz DOGYMSYSJAOSRQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1C ZINC001249906362 1105404718 /nfs/dbraw/zinc/40/47/18/1105404718.db2.gz DOGYMSYSJAOSRQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)nc1C ZINC001249906362 1105404725 /nfs/dbraw/zinc/40/47/25/1105404725.db2.gz DOGYMSYSJAOSRQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)nc1C ZINC001249906362 1105404730 /nfs/dbraw/zinc/40/47/30/1105404730.db2.gz DOGYMSYSJAOSRQ-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573796 1105431786 /nfs/dbraw/zinc/43/17/86/1105431786.db2.gz NZVOQUTUQXRSQU-GOSISDBHSA-N 2 1 305.466 3.128 20 0 DGADMP CC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001251780073 1105695262 /nfs/dbraw/zinc/69/52/62/1105695262.db2.gz CCCPQRGSDJVNNT-QGZVFWFLSA-N 2 1 310.869 3.007 20 0 DGADMP CC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001251780073 1105695265 /nfs/dbraw/zinc/69/52/65/1105695265.db2.gz CCCPQRGSDJVNNT-QGZVFWFLSA-N 2 1 310.869 3.007 20 0 DGADMP CCCC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252083481 1105735101 /nfs/dbraw/zinc/73/51/01/1105735101.db2.gz OVVMDFSOHWNGRS-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252083481 1105735104 /nfs/dbraw/zinc/73/51/04/1105735104.db2.gz OVVMDFSOHWNGRS-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252088357 1105736593 /nfs/dbraw/zinc/73/65/93/1105736593.db2.gz LCMMNRGJOPLHAO-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252088357 1105736596 /nfs/dbraw/zinc/73/65/96/1105736596.db2.gz LCMMNRGJOPLHAO-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252088357 1105736600 /nfs/dbraw/zinc/73/66/00/1105736600.db2.gz LCMMNRGJOPLHAO-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252108934 1105740607 /nfs/dbraw/zinc/74/06/07/1105740607.db2.gz TWRSBCHOYUXXAI-MOPGFXCFSA-N 2 1 304.478 3.039 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252114393 1105742741 /nfs/dbraw/zinc/74/27/41/1105742741.db2.gz BWHOIVGRBGUPPZ-RBUKOAKNSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252114393 1105742743 /nfs/dbraw/zinc/74/27/43/1105742743.db2.gz BWHOIVGRBGUPPZ-RBUKOAKNSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252789832 1105832375 /nfs/dbraw/zinc/83/23/75/1105832375.db2.gz OSEDPNNEJGDATR-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252789832 1105832379 /nfs/dbraw/zinc/83/23/79/1105832379.db2.gz OSEDPNNEJGDATR-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252789832 1105832383 /nfs/dbraw/zinc/83/23/83/1105832383.db2.gz OSEDPNNEJGDATR-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916620 1105854593 /nfs/dbraw/zinc/85/45/93/1105854593.db2.gz GAFYWEDNGFFBRK-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916620 1105854599 /nfs/dbraw/zinc/85/45/99/1105854599.db2.gz GAFYWEDNGFFBRK-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916620 1105854605 /nfs/dbraw/zinc/85/46/05/1105854605.db2.gz GAFYWEDNGFFBRK-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916620 1105854611 /nfs/dbraw/zinc/85/46/11/1105854611.db2.gz GAFYWEDNGFFBRK-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[C@@H]1CCCC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926993 1105854921 /nfs/dbraw/zinc/85/49/21/1105854921.db2.gz DCHAHYQPYZCOKU-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@@H]1CCCC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926993 1105854927 /nfs/dbraw/zinc/85/49/27/1105854927.db2.gz DCHAHYQPYZCOKU-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@@H]1CCCC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252926993 1105854935 /nfs/dbraw/zinc/85/49/35/1105854935.db2.gz DCHAHYQPYZCOKU-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@@H]1CCCC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252926993 1105854941 /nfs/dbraw/zinc/85/49/41/1105854941.db2.gz DCHAHYQPYZCOKU-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001253195133 1105901196 /nfs/dbraw/zinc/90/11/96/1105901196.db2.gz NUADENNQLVXCTJ-NVXWUHKLSA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1SC ZINC001253195133 1105901200 /nfs/dbraw/zinc/90/12/00/1105901200.db2.gz NUADENNQLVXCTJ-NVXWUHKLSA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@H](O)CNc1ccc([NH+]2CCCCC2)cc1C ZINC001253199448 1105902034 /nfs/dbraw/zinc/90/20/34/1105902034.db2.gz VDHBACVAIPTONU-GOSISDBHSA-N 2 1 319.493 3.100 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253411926 1105937306 /nfs/dbraw/zinc/93/73/06/1105937306.db2.gz ZIJBWYLHSGJYCY-YJBOKZPZSA-N 2 1 306.494 3.285 20 0 DGADMP CCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001253563278 1105959225 /nfs/dbraw/zinc/95/92/25/1105959225.db2.gz JYUIZWZGPXMUPV-HOJAQTOUSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040353 1106013008 /nfs/dbraw/zinc/01/30/08/1106013008.db2.gz RNLPIXHCAAJKDE-LJQANCHMSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@H]1CC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001254039018 1106013032 /nfs/dbraw/zinc/01/30/32/1106013032.db2.gz WFINWUWBDAYPOA-ROUUACIJSA-N 2 1 316.489 3.134 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)C2CCC(F)(F)CC2)nc(C)[nH+]1 ZINC001254229521 1106040222 /nfs/dbraw/zinc/04/02/22/1106040222.db2.gz LCPZQEWVPUIJGZ-UHFFFAOYSA-N 2 1 324.419 3.230 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCCOC2)CC1 ZINC001254373207 1106062251 /nfs/dbraw/zinc/06/22/51/1106062251.db2.gz YGSJETRTSJRNBM-KZNAEPCWSA-N 2 1 306.425 3.077 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC001254497611 1106081798 /nfs/dbraw/zinc/08/17/98/1106081798.db2.gz LRFVBIYVPPEEOY-ZDUSSCGKSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC001254497611 1106081804 /nfs/dbraw/zinc/08/18/04/1106081804.db2.gz LRFVBIYVPPEEOY-ZDUSSCGKSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccccc2Br)CC1 ZINC001254499678 1106083670 /nfs/dbraw/zinc/08/36/70/1106083670.db2.gz MTKOHXOVFCBGDO-CQSZACIVSA-N 2 1 311.267 3.066 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001254499189 1106083804 /nfs/dbraw/zinc/08/38/04/1106083804.db2.gz BXWQTQLKJNEJPK-HNNXBMFYSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001254499189 1106083811 /nfs/dbraw/zinc/08/38/11/1106083811.db2.gz BXWQTQLKJNEJPK-HNNXBMFYSA-N 2 1 301.459 3.384 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1C(F)(F)F ZINC001254502599 1106084656 /nfs/dbraw/zinc/08/46/56/1106084656.db2.gz GYNNBKGTHGTEJK-CYBMUJFWSA-N 2 1 316.367 3.288 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001254511544 1106086408 /nfs/dbraw/zinc/08/64/08/1106086408.db2.gz BQQOYCUGHYUXMG-KRWDZBQOSA-N 2 1 322.880 3.420 20 0 DGADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254508154 1106086831 /nfs/dbraw/zinc/08/68/31/1106086831.db2.gz HHRFAHKXCUESFZ-CVEARBPZSA-N 2 1 312.498 3.207 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001254511545 1106087536 /nfs/dbraw/zinc/08/75/36/1106087536.db2.gz BQQOYCUGHYUXMG-QGZVFWFLSA-N 2 1 322.880 3.420 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001254516829 1106090974 /nfs/dbraw/zinc/09/09/74/1106090974.db2.gz QHWIGCISGGDKRO-QGZVFWFLSA-N 2 1 322.880 3.108 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001254522136 1106091003 /nfs/dbraw/zinc/09/10/03/1106091003.db2.gz CJIBEGBPJWUCGP-QGZVFWFLSA-N 2 1 320.452 3.291 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254524465 1106091909 /nfs/dbraw/zinc/09/19/09/1106091909.db2.gz CAOLGMFJPIUOKL-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524465 1106091914 /nfs/dbraw/zinc/09/19/14/1106091914.db2.gz CAOLGMFJPIUOKL-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524465 1106091919 /nfs/dbraw/zinc/09/19/19/1106091919.db2.gz CAOLGMFJPIUOKL-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1OC ZINC001254523662 1106092081 /nfs/dbraw/zinc/09/20/81/1106092081.db2.gz QTMDPAMYQGLGTB-SJORKVTESA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1OC ZINC001254523662 1106092084 /nfs/dbraw/zinc/09/20/84/1106092084.db2.gz QTMDPAMYQGLGTB-SJORKVTESA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1OC ZINC001254523662 1106092090 /nfs/dbraw/zinc/09/20/90/1106092090.db2.gz QTMDPAMYQGLGTB-SJORKVTESA-N 2 1 318.461 3.325 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001254524948 1106092602 /nfs/dbraw/zinc/09/26/02/1106092602.db2.gz FCEXDRFQAPCSIS-HNNXBMFYSA-N 2 1 305.491 3.122 20 0 DGADMP Fc1ccc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001254617176 1106114178 /nfs/dbraw/zinc/11/41/78/1106114178.db2.gz SDIOIOOFQZBWOC-UHFFFAOYSA-N 2 1 317.452 3.011 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001256569509 1106159411 /nfs/dbraw/zinc/15/94/11/1106159411.db2.gz HSOQXVBBTTXJIX-OAHLLOKOSA-N 2 1 322.415 3.029 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001256569509 1106159413 /nfs/dbraw/zinc/15/94/13/1106159413.db2.gz HSOQXVBBTTXJIX-OAHLLOKOSA-N 2 1 322.415 3.029 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](C2CCOCC2)CC3)c1 ZINC001255040309 1106171613 /nfs/dbraw/zinc/17/16/13/1106171613.db2.gz QWBHUIVMXWEPIN-UHFFFAOYSA-N 2 1 320.502 3.215 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C4CCOCC4)CC[C@H]3C2)cc1 ZINC001255046053 1106172313 /nfs/dbraw/zinc/17/23/13/1106172313.db2.gz PIPYLLOIZREJAT-OALUTQOASA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C4CCOCC4)CC[C@H]3C2)cc1 ZINC001255046053 1106172315 /nfs/dbraw/zinc/17/23/15/1106172315.db2.gz PIPYLLOIZREJAT-OALUTQOASA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C4CCOCC4)CC[C@H]3C2)cc1 ZINC001255046053 1106172317 /nfs/dbraw/zinc/17/23/17/1106172317.db2.gz PIPYLLOIZREJAT-OALUTQOASA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C)C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001255125792 1106185078 /nfs/dbraw/zinc/18/50/78/1106185078.db2.gz FZGQLYFDIAHSFF-AKHDSKFASA-N 2 1 314.473 3.339 20 0 DGADMP c1ccn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255125647 1106185272 /nfs/dbraw/zinc/18/52/72/1106185272.db2.gz ZOUAFSJJSGTXDF-ACDBMABISA-N 2 1 309.457 3.273 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255129711 1106186436 /nfs/dbraw/zinc/18/64/36/1106186436.db2.gz JLHPMQAVQUBJFA-AKHDSKFASA-N 2 1 312.457 3.283 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255129711 1106186438 /nfs/dbraw/zinc/18/64/38/1106186438.db2.gz JLHPMQAVQUBJFA-AKHDSKFASA-N 2 1 312.457 3.283 20 0 DGADMP C[C@]1(O)CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255145763 1106188806 /nfs/dbraw/zinc/18/88/06/1106188806.db2.gz UEUUTRMCAFJMMJ-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255145763 1106188811 /nfs/dbraw/zinc/18/88/11/1106188811.db2.gz UEUUTRMCAFJMMJ-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145763 1106188818 /nfs/dbraw/zinc/18/88/18/1106188818.db2.gz UEUUTRMCAFJMMJ-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255338484 1106225853 /nfs/dbraw/zinc/22/58/53/1106225853.db2.gz ILNIBWVSEMYXOH-DOTOQJQBSA-N 2 1 310.482 3.092 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255347326 1106227880 /nfs/dbraw/zinc/22/78/80/1106227880.db2.gz CKEIACNPJOMIJE-LUKYLMHMSA-N 2 1 310.482 3.089 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348961 1106229491 /nfs/dbraw/zinc/22/94/91/1106229491.db2.gz GDBTZKYEQOVAQZ-BRSBDYLESA-N 2 1 324.509 3.336 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381584 1106236769 /nfs/dbraw/zinc/23/67/69/1106236769.db2.gz QTYLITZJCZZNAR-RTBURBONSA-N 2 1 304.478 3.038 20 0 DGADMP C[NH+](C)CCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383163 1106237791 /nfs/dbraw/zinc/23/77/91/1106237791.db2.gz FRRRRDSSMWIBAT-HXUWFJFHSA-N 3 1 317.521 3.363 20 0 DGADMP C[NH+](C)CCCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383163 1106237795 /nfs/dbraw/zinc/23/77/95/1106237795.db2.gz FRRRRDSSMWIBAT-HXUWFJFHSA-N 2 1 317.521 3.363 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255384251 1106238132 /nfs/dbraw/zinc/23/81/32/1106238132.db2.gz WNXPZIMIDHWXIJ-FQEVSTJZSA-N 2 1 317.521 3.363 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384251 1106238134 /nfs/dbraw/zinc/23/81/34/1106238134.db2.gz WNXPZIMIDHWXIJ-FQEVSTJZSA-N 2 1 317.521 3.363 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384251 1106238137 /nfs/dbraw/zinc/23/81/37/1106238137.db2.gz WNXPZIMIDHWXIJ-FQEVSTJZSA-N 2 1 317.521 3.363 20 0 DGADMP O[C@H]1CC[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255395418 1106240449 /nfs/dbraw/zinc/24/04/49/1106240449.db2.gz ADWYBDXXFQENDV-IHPCNDPISA-N 2 1 316.489 3.182 20 0 DGADMP COC[C@H]1CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255396744 1106241531 /nfs/dbraw/zinc/24/15/31/1106241531.db2.gz BJOPDCZBYZICTM-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255396744 1106241536 /nfs/dbraw/zinc/24/15/36/1106241536.db2.gz BJOPDCZBYZICTM-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396744 1106241539 /nfs/dbraw/zinc/24/15/39/1106241539.db2.gz BJOPDCZBYZICTM-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@]1(O)CCCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399416 1106242678 /nfs/dbraw/zinc/24/26/78/1106242678.db2.gz RQKYZTQADVCVHE-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399416 1106242680 /nfs/dbraw/zinc/24/26/80/1106242680.db2.gz RQKYZTQADVCVHE-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399416 1106242683 /nfs/dbraw/zinc/24/26/83/1106242683.db2.gz RQKYZTQADVCVHE-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001255399480 1106242890 /nfs/dbraw/zinc/24/28/90/1106242890.db2.gz SNZVHXVWJYQACN-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001255399480 1106242894 /nfs/dbraw/zinc/24/28/94/1106242894.db2.gz SNZVHXVWJYQACN-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001255399480 1106242899 /nfs/dbraw/zinc/24/28/99/1106242899.db2.gz SNZVHXVWJYQACN-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP COC1CC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398771 1106243561 /nfs/dbraw/zinc/24/35/61/1106243561.db2.gz XREBCANSKHYTBZ-XBMUEBEBSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC34CCC4)CC2)cc1 ZINC001255404450 1106245061 /nfs/dbraw/zinc/24/50/61/1106245061.db2.gz JIRJDAGPAHHKDH-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC34CCC4)CC2)cc1 ZINC001255404450 1106245065 /nfs/dbraw/zinc/24/50/65/1106245065.db2.gz JIRJDAGPAHHKDH-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCOCC34CCC4)CC2)cc1 ZINC001255404450 1106245068 /nfs/dbraw/zinc/24/50/68/1106245068.db2.gz JIRJDAGPAHHKDH-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCOCC34CCC4)CC2)cc1 ZINC001255404450 1106245070 /nfs/dbraw/zinc/24/50/70/1106245070.db2.gz JIRJDAGPAHHKDH-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC4(COC4)C3)CC2)cc1 ZINC001255400258 1106245158 /nfs/dbraw/zinc/24/51/58/1106245158.db2.gz HGLZAYUYHBQSPK-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCCC4(COC4)C3)CC2)cc1 ZINC001255400258 1106245163 /nfs/dbraw/zinc/24/51/63/1106245163.db2.gz HGLZAYUYHBQSPK-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCCC4(COC4)C3)CC2)cc1 ZINC001255400258 1106245166 /nfs/dbraw/zinc/24/51/66/1106245166.db2.gz HGLZAYUYHBQSPK-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP CC1(C)C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255399613 1106245314 /nfs/dbraw/zinc/24/53/14/1106245314.db2.gz WBXATSVOXBAHOL-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255399613 1106245317 /nfs/dbraw/zinc/24/53/17/1106245317.db2.gz WBXATSVOXBAHOL-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC001255399613 1106245323 /nfs/dbraw/zinc/24/53/23/1106245323.db2.gz WBXATSVOXBAHOL-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255399613 1106245328 /nfs/dbraw/zinc/24/53/28/1106245328.db2.gz WBXATSVOXBAHOL-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC[NH+](CC)CCN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399626 1106245363 /nfs/dbraw/zinc/24/53/63/1106245363.db2.gz WMRZYRNWTJHDFT-HXUWFJFHSA-N 2 1 317.521 3.315 20 0 DGADMP C[N@@H+]([C@H]1CCCOC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409164 1106246643 /nfs/dbraw/zinc/24/66/43/1106246643.db2.gz GVVITLHPOQVNDY-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@H]1CCCOC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409164 1106246645 /nfs/dbraw/zinc/24/66/45/1106246645.db2.gz GVVITLHPOQVNDY-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@H]1CCCOC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409164 1106246647 /nfs/dbraw/zinc/24/66/47/1106246647.db2.gz GVVITLHPOQVNDY-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407493 1106246902 /nfs/dbraw/zinc/24/69/02/1106246902.db2.gz AVGQCZSTBFJMGA-RDGPPVDQSA-N 2 1 302.437 3.473 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407493 1106246906 /nfs/dbraw/zinc/24/69/06/1106246906.db2.gz AVGQCZSTBFJMGA-RDGPPVDQSA-N 2 1 302.437 3.473 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407493 1106246913 /nfs/dbraw/zinc/24/69/13/1106246913.db2.gz AVGQCZSTBFJMGA-RDGPPVDQSA-N 2 1 302.437 3.473 20 0 DGADMP CO[C@@H](C)C1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410563 1106247904 /nfs/dbraw/zinc/24/79/04/1106247904.db2.gz ZDGLUCWWSJQPHR-QFBILLFUSA-N 2 1 302.462 3.008 20 0 DGADMP C[N@H+]1CCC[C@@H](n2cc(C[NH3+])c3cc(Br)ccc32)C1 ZINC001255475733 1106256691 /nfs/dbraw/zinc/25/66/91/1106256691.db2.gz UTVSZVCBKBBDIU-CYBMUJFWSA-N 2 1 322.250 3.129 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001255542064 1106267119 /nfs/dbraw/zinc/26/71/19/1106267119.db2.gz YVTLCKXAGCRXRY-QGZVFWFLSA-N 2 1 306.494 3.284 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCO1 ZINC001255542064 1106267121 /nfs/dbraw/zinc/26/71/21/1106267121.db2.gz YVTLCKXAGCRXRY-QGZVFWFLSA-N 2 1 306.494 3.284 20 0 DGADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001255575209 1106272476 /nfs/dbraw/zinc/27/24/76/1106272476.db2.gz ZBPVLMCJLDCWAA-ONIAQPFYSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001255575209 1106272481 /nfs/dbraw/zinc/27/24/81/1106272481.db2.gz ZBPVLMCJLDCWAA-ONIAQPFYSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001255575209 1106272485 /nfs/dbraw/zinc/27/24/85/1106272485.db2.gz ZBPVLMCJLDCWAA-ONIAQPFYSA-N 2 1 322.518 3.315 20 0 DGADMP Cc1cccc(N([C@@H](C)CC(F)(F)F)C2CC[NH2+]CC2)[nH+]1 ZINC001255662039 1106289120 /nfs/dbraw/zinc/28/91/20/1106289120.db2.gz FHKGBVLGASTYJW-LBPRGKRZSA-N 2 1 301.356 3.289 20 0 DGADMP Cc1ccccc1OCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255663554 1106289321 /nfs/dbraw/zinc/28/93/21/1106289321.db2.gz LAPSTEMDTFMDSA-AYHJJNSGSA-N 2 1 302.462 3.369 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001255667979 1106290226 /nfs/dbraw/zinc/29/02/26/1106290226.db2.gz CKGGQXNRHMPDMY-GOOCMWNKSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001255667979 1106290228 /nfs/dbraw/zinc/29/02/28/1106290228.db2.gz CKGGQXNRHMPDMY-GOOCMWNKSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccccc1CC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255672730 1106291743 /nfs/dbraw/zinc/29/17/43/1106291743.db2.gz QBZNGFAULQBHNI-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccccc1CC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255672730 1106291747 /nfs/dbraw/zinc/29/17/47/1106291747.db2.gz QBZNGFAULQBHNI-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674275 1106292022 /nfs/dbraw/zinc/29/20/22/1106292022.db2.gz NYINNHBZZLLUET-RZRMAFQFSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674275 1106292024 /nfs/dbraw/zinc/29/20/24/1106292024.db2.gz NYINNHBZZLLUET-RZRMAFQFSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674275 1106292028 /nfs/dbraw/zinc/29/20/28/1106292028.db2.gz NYINNHBZZLLUET-RZRMAFQFSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674275 1106292031 /nfs/dbraw/zinc/29/20/31/1106292031.db2.gz NYINNHBZZLLUET-RZRMAFQFSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)CCC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255680357 1106293686 /nfs/dbraw/zinc/29/36/86/1106293686.db2.gz PKGFSZRFQBNPQK-JWTNVVGKSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)CCC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255680357 1106293691 /nfs/dbraw/zinc/29/36/91/1106293691.db2.gz PKGFSZRFQBNPQK-JWTNVVGKSA-N 2 1 322.493 3.057 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]2C1 ZINC001255724953 1106301888 /nfs/dbraw/zinc/30/18/88/1106301888.db2.gz VAQCAXSPCQSNTC-LJISPDSOSA-N 2 1 304.400 3.381 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]2C1 ZINC001255724953 1106301893 /nfs/dbraw/zinc/30/18/93/1106301893.db2.gz VAQCAXSPCQSNTC-LJISPDSOSA-N 2 1 304.400 3.381 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]2C1 ZINC001255724953 1106301898 /nfs/dbraw/zinc/30/18/98/1106301898.db2.gz VAQCAXSPCQSNTC-LJISPDSOSA-N 2 1 304.400 3.381 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC001255940872 1106345541 /nfs/dbraw/zinc/34/55/41/1106345541.db2.gz HVJICINAMCFXME-CYBMUJFWSA-N 2 1 300.393 3.498 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccnc(OC)c1)C1CC1 ZINC001255954229 1106349191 /nfs/dbraw/zinc/34/91/91/1106349191.db2.gz ZCHOJQMTBVMGDR-RDTXWAMCSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccnc(OC)c1)C1CC1 ZINC001255954227 1106349196 /nfs/dbraw/zinc/34/91/96/1106349196.db2.gz ZCHOJQMTBVMGDR-KDOFPFPSSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+](CCOC(C)C)CCOC(C)C ZINC001255962648 1106350712 /nfs/dbraw/zinc/35/07/12/1106350712.db2.gz YBRGVFYIXIXDQP-GOSISDBHSA-N 2 1 316.530 3.259 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001255965340 1106351375 /nfs/dbraw/zinc/35/13/75/1106351375.db2.gz DYFWTZZHWKPUPF-OAHLLOKOSA-N 2 1 306.450 3.025 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001255965340 1106351376 /nfs/dbraw/zinc/35/13/76/1106351376.db2.gz DYFWTZZHWKPUPF-OAHLLOKOSA-N 2 1 306.450 3.025 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2OC)C1 ZINC001255961907 1106351380 /nfs/dbraw/zinc/35/13/80/1106351380.db2.gz QPZPSWNUICYTGA-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](Oc2ccccc2OC)C1 ZINC001255961907 1106351381 /nfs/dbraw/zinc/35/13/81/1106351381.db2.gz QPZPSWNUICYTGA-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255966635 1106352031 /nfs/dbraw/zinc/35/20/31/1106352031.db2.gz LYQTUVOFJMSYMN-JKSUJKDBSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255966635 1106352034 /nfs/dbraw/zinc/35/20/34/1106352034.db2.gz LYQTUVOFJMSYMN-JKSUJKDBSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001255972552 1106352987 /nfs/dbraw/zinc/35/29/87/1106352987.db2.gz UFAFIIKFFMLHNW-SFHVURJKSA-N 2 1 305.510 3.171 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001255972290 1106352997 /nfs/dbraw/zinc/35/29/97/1106352997.db2.gz OVPPVIWBOFAVPX-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001255972290 1106353000 /nfs/dbraw/zinc/35/30/00/1106353000.db2.gz OVPPVIWBOFAVPX-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC001255972633 1106353217 /nfs/dbraw/zinc/35/32/17/1106353217.db2.gz VRPKLMZJPWWQJB-KRWDZBQOSA-N 2 1 319.493 3.354 20 0 DGADMP Clc1cc(C[NH2+]C2CCN(C3CC3)CC2)cc(Cl)n1 ZINC001256068004 1106363625 /nfs/dbraw/zinc/36/36/25/1106363625.db2.gz RUVYCEZVZMFSGN-UHFFFAOYSA-N 2 1 300.233 3.105 20 0 DGADMP CC(C)(C)C[N@H+](C1CCN(C2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256072696 1106365097 /nfs/dbraw/zinc/36/50/97/1106365097.db2.gz UQLNZZHURAMXKC-JCNLHEQBSA-N 2 1 307.526 3.231 20 0 DGADMP C[N@H+](C1CCN(C2CC2)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001256083042 1106367218 /nfs/dbraw/zinc/36/72/18/1106367218.db2.gz PFBCRWPFHDBFEV-UHFFFAOYSA-N 2 1 319.537 3.342 20 0 DGADMP C[N@@H+](C1CCN(C2CC2)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001256083042 1106367221 /nfs/dbraw/zinc/36/72/21/1106367221.db2.gz PFBCRWPFHDBFEV-UHFFFAOYSA-N 2 1 319.537 3.342 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081741 1106367395 /nfs/dbraw/zinc/36/73/95/1106367395.db2.gz DBSRICKVNVLZDO-IBGZPJMESA-N 2 1 302.437 3.459 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081741 1106367399 /nfs/dbraw/zinc/36/73/99/1106367399.db2.gz DBSRICKVNVLZDO-IBGZPJMESA-N 2 1 302.437 3.459 20 0 DGADMP CC1([NH3+])CC[NH+]([C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256127024 1106373052 /nfs/dbraw/zinc/37/30/52/1106373052.db2.gz BLNSNAFUWSTXBI-CYBMUJFWSA-N 2 1 323.278 3.120 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001256145864 1106377151 /nfs/dbraw/zinc/37/71/51/1106377151.db2.gz NFDTUEOOIIPRKL-DLBZAZTESA-N 2 1 304.478 3.480 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)n1cc[nH+]c1CCC[NH3+] ZINC001256188092 1106386543 /nfs/dbraw/zinc/38/65/43/1106386543.db2.gz ZJIWFYLSFOXVDC-LBPRGKRZSA-N 2 1 322.250 3.341 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001256196474 1106388807 /nfs/dbraw/zinc/38/88/07/1106388807.db2.gz NOPHVPHSMOIEIH-CQSZACIVSA-N 2 1 314.351 3.256 20 0 DGADMP C[NH+]1CCC([NH2+]CCCc2ccc(Br)cc2)CC1 ZINC001256195029 1106389199 /nfs/dbraw/zinc/38/91/99/1106389199.db2.gz WJOHRSUHLBMRSB-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP Cc1ccc(C[N@H+](C2CCN(C)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256202091 1106389731 /nfs/dbraw/zinc/38/97/31/1106389731.db2.gz XHSGKRYWRVBMPE-WGSAOQKQSA-N 2 1 315.505 3.161 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)CC1 ZINC001256202089 1106390186 /nfs/dbraw/zinc/39/01/86/1106390186.db2.gz XGSWBTZQHDKSGC-IZAXUBKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001256209225 1106390733 /nfs/dbraw/zinc/39/07/33/1106390733.db2.gz UHVNHEVDEOVXNQ-CQSZACIVSA-N 2 1 323.278 3.333 20 0 DGADMP C[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001256209225 1106390738 /nfs/dbraw/zinc/39/07/38/1106390738.db2.gz UHVNHEVDEOVXNQ-CQSZACIVSA-N 2 1 323.278 3.333 20 0 DGADMP C[C@H](Cc1ccccn1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256407307 1106416793 /nfs/dbraw/zinc/41/67/93/1106416793.db2.gz MBMOGWLQJXFGPC-YVWKXTFCSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522519 1106433621 /nfs/dbraw/zinc/43/36/21/1106433621.db2.gz KTSZUSOOWNWWIO-AZUAARDMSA-N 3 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522519 1106433622 /nfs/dbraw/zinc/43/36/22/1106433622.db2.gz KTSZUSOOWNWWIO-AZUAARDMSA-N 3 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256529067 1106434491 /nfs/dbraw/zinc/43/44/91/1106434491.db2.gz PWRIOVJTXIQSSL-FUHWJXTLSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256529067 1106434493 /nfs/dbraw/zinc/43/44/93/1106434493.db2.gz PWRIOVJTXIQSSL-FUHWJXTLSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529300 1106434748 /nfs/dbraw/zinc/43/47/48/1106434748.db2.gz SANWKZJRCLTZAW-WBVHZDCISA-N 2 1 303.494 3.145 20 0 DGADMP CCC[N@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537597 1106436978 /nfs/dbraw/zinc/43/69/78/1106436978.db2.gz OOZWJXACZMGWGY-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[N@@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537597 1106436980 /nfs/dbraw/zinc/43/69/80/1106436980.db2.gz OOZWJXACZMGWGY-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537597 1106436984 /nfs/dbraw/zinc/43/69/84/1106436984.db2.gz OOZWJXACZMGWGY-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537597 1106436986 /nfs/dbraw/zinc/43/69/86/1106436986.db2.gz OOZWJXACZMGWGY-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536125 1106437138 /nfs/dbraw/zinc/43/71/38/1106437138.db2.gz FKLKDOYROPQCIK-VQIMIIECSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536125 1106437139 /nfs/dbraw/zinc/43/71/39/1106437139.db2.gz FKLKDOYROPQCIK-VQIMIIECSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536125 1106437141 /nfs/dbraw/zinc/43/71/41/1106437141.db2.gz FKLKDOYROPQCIK-VQIMIIECSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536125 1106437142 /nfs/dbraw/zinc/43/71/42/1106437142.db2.gz FKLKDOYROPQCIK-VQIMIIECSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540506 1106437807 /nfs/dbraw/zinc/43/78/07/1106437807.db2.gz IQJIUOXQROEOMI-LCLWPZTBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540506 1106437811 /nfs/dbraw/zinc/43/78/11/1106437811.db2.gz IQJIUOXQROEOMI-LCLWPZTBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540506 1106437812 /nfs/dbraw/zinc/43/78/12/1106437812.db2.gz IQJIUOXQROEOMI-LCLWPZTBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540506 1106437816 /nfs/dbraw/zinc/43/78/16/1106437816.db2.gz IQJIUOXQROEOMI-LCLWPZTBSA-N 2 1 316.489 3.132 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256538673 1106438245 /nfs/dbraw/zinc/43/82/45/1106438245.db2.gz VBCFRZSKACBIFC-QUCCMNQESA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540501 1106438273 /nfs/dbraw/zinc/43/82/73/1106438273.db2.gz IQJIUOXQROEOMI-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540501 1106438275 /nfs/dbraw/zinc/43/82/75/1106438275.db2.gz IQJIUOXQROEOMI-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540501 1106438278 /nfs/dbraw/zinc/43/82/78/1106438278.db2.gz IQJIUOXQROEOMI-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540501 1106438279 /nfs/dbraw/zinc/43/82/79/1106438279.db2.gz IQJIUOXQROEOMI-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544187 1106439107 /nfs/dbraw/zinc/43/91/07/1106439107.db2.gz XEXVZPYXNRWZQJ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544187 1106439109 /nfs/dbraw/zinc/43/91/09/1106439109.db2.gz XEXVZPYXNRWZQJ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544187 1106439112 /nfs/dbraw/zinc/43/91/12/1106439112.db2.gz XEXVZPYXNRWZQJ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544187 1106439113 /nfs/dbraw/zinc/43/91/13/1106439113.db2.gz XEXVZPYXNRWZQJ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555721 1106443192 /nfs/dbraw/zinc/44/31/92/1106443192.db2.gz VXLFTNBYOYOJEA-YCVVXREPSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555721 1106443194 /nfs/dbraw/zinc/44/31/94/1106443194.db2.gz VXLFTNBYOYOJEA-YCVVXREPSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555721 1106443197 /nfs/dbraw/zinc/44/31/97/1106443197.db2.gz VXLFTNBYOYOJEA-YCVVXREPSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555721 1106443200 /nfs/dbraw/zinc/44/32/00/1106443200.db2.gz VXLFTNBYOYOJEA-YCVVXREPSA-N 2 1 302.437 3.187 20 0 DGADMP CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256556255 1106443293 /nfs/dbraw/zinc/44/32/93/1106443293.db2.gz YAQQWCXTAKGBKV-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)(C)[NH+]1CCC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1 ZINC001256562293 1106445907 /nfs/dbraw/zinc/44/59/07/1106445907.db2.gz QLBIVPQQLACYHX-UHFFFAOYSA-N 2 1 313.445 3.218 20 0 DGADMP C[N@H+]1CCN(C2CC[NH+](C(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC001256568846 1106447480 /nfs/dbraw/zinc/44/74/80/1106447480.db2.gz HSKRGANNLNYNDX-IBGZPJMESA-N 2 1 315.505 3.238 20 0 DGADMP C[N@H+](C[C@H]1Cc2ccccc2O1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577397 1106449599 /nfs/dbraw/zinc/44/95/99/1106449599.db2.gz LBYSUJFGBFGUOI-QGZVFWFLSA-N 2 1 302.462 3.185 20 0 DGADMP C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577397 1106449601 /nfs/dbraw/zinc/44/96/01/1106449601.db2.gz LBYSUJFGBFGUOI-QGZVFWFLSA-N 2 1 302.462 3.185 20 0 DGADMP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256599207 1106451467 /nfs/dbraw/zinc/45/14/67/1106451467.db2.gz LVOHSIWCOGMVFV-UAPYVXQJSA-N 2 1 302.462 3.198 20 0 DGADMP Oc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256600288 1106452122 /nfs/dbraw/zinc/45/21/22/1106452122.db2.gz PPSZICWGJROSCR-UHFFFAOYSA-N 2 1 310.441 3.189 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001256604562 1106452550 /nfs/dbraw/zinc/45/25/50/1106452550.db2.gz SGLKVEIIAUKEPS-XLIONFOSSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001256604562 1106452555 /nfs/dbraw/zinc/45/25/55/1106452555.db2.gz SGLKVEIIAUKEPS-XLIONFOSSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@]4(C3)CCCOC4)CC2)cc1 ZINC001256609918 1106453818 /nfs/dbraw/zinc/45/38/18/1106453818.db2.gz UNOPSANQYJEDSW-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@]4(C3)CCCOC4)CC2)cc1 ZINC001256609918 1106453820 /nfs/dbraw/zinc/45/38/20/1106453820.db2.gz UNOPSANQYJEDSW-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001256629188 1106456705 /nfs/dbraw/zinc/45/67/05/1106456705.db2.gz ZZOZHHJOXLTDNP-RZRMAFQFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001256629188 1106456707 /nfs/dbraw/zinc/45/67/07/1106456707.db2.gz ZZOZHHJOXLTDNP-RZRMAFQFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256629188 1106456709 /nfs/dbraw/zinc/45/67/09/1106456709.db2.gz ZZOZHHJOXLTDNP-RZRMAFQFSA-N 2 1 300.446 3.457 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256635173 1106459164 /nfs/dbraw/zinc/45/91/64/1106459164.db2.gz QVOFOZMMAUNVFB-KRWDZBQOSA-N 2 1 304.478 3.264 20 0 DGADMP c1ccc([C@@H]2CC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256689075 1106469746 /nfs/dbraw/zinc/46/97/46/1106469746.db2.gz OTWGUOBIXRNMRY-XEVCZEQESA-N 2 1 314.473 3.119 20 0 DGADMP FC1CC2(C1)CCC[N@H+](C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC001256695824 1106470611 /nfs/dbraw/zinc/47/06/11/1106470611.db2.gz OVSLWDKPHIDSQX-UHFFFAOYSA-N 2 1 324.484 3.234 20 0 DGADMP c1ccc([C@H]2CCC[N@H+]2C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256695363 1106470661 /nfs/dbraw/zinc/47/06/61/1106470661.db2.gz XWEQIRDSNBQQCP-SOAGJPPSSA-N 2 1 314.473 3.467 20 0 DGADMP Cc1ccc(CC[N@H+](C)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256698155 1106470721 /nfs/dbraw/zinc/47/07/21/1106470721.db2.gz MIRKVHXUIFGTGA-UHFFFAOYSA-N 2 1 316.489 3.113 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001256727351 1106474666 /nfs/dbraw/zinc/47/46/66/1106474666.db2.gz ALWLPIJJUQHQTJ-OAHLLOKOSA-N 2 1 313.420 3.102 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787466 1106482535 /nfs/dbraw/zinc/48/25/35/1106482535.db2.gz VZCKJRYBMZYIGD-PMACEKPBSA-N 2 1 310.441 3.368 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787466 1106482540 /nfs/dbraw/zinc/48/25/40/1106482540.db2.gz VZCKJRYBMZYIGD-PMACEKPBSA-N 2 1 310.441 3.368 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256816151 1106488888 /nfs/dbraw/zinc/48/88/88/1106488888.db2.gz GZDRKGVPJFSHHA-RTBURBONSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256816151 1106488889 /nfs/dbraw/zinc/48/88/89/1106488889.db2.gz GZDRKGVPJFSHHA-RTBURBONSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256816146 1106489008 /nfs/dbraw/zinc/48/90/08/1106489008.db2.gz GZDRKGVPJFSHHA-MOPGFXCFSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256816146 1106489010 /nfs/dbraw/zinc/48/90/10/1106489010.db2.gz GZDRKGVPJFSHHA-MOPGFXCFSA-N 2 1 302.462 3.323 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC001256860480 1106498871 /nfs/dbraw/zinc/49/88/71/1106498871.db2.gz BTMGOKMSWZRPTA-IBGZPJMESA-N 2 1 308.429 3.283 20 0 DGADMP C[C@@H]1Cc2ccccc2C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861738 1106499947 /nfs/dbraw/zinc/49/99/47/1106499947.db2.gz BMXJQHRRAZSBKH-MRXNPFEDSA-N 2 1 307.441 3.497 20 0 DGADMP [NH3+]CCc1nc2ccccc2n1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896306 1106504082 /nfs/dbraw/zinc/50/40/82/1106504082.db2.gz BALVLOQKMWXJEP-MRXNPFEDSA-N 2 1 312.461 3.117 20 0 DGADMP CCOC(CCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)OCC ZINC001256898007 1106504951 /nfs/dbraw/zinc/50/49/51/1106504951.db2.gz JACCELACMODEPP-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(CCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)OCC ZINC001256898007 1106504954 /nfs/dbraw/zinc/50/49/54/1106504954.db2.gz JACCELACMODEPP-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC001256900124 1106505631 /nfs/dbraw/zinc/50/56/31/1106505631.db2.gz JABAQYRQJPJSJW-QZTJIDSGSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900124 1106505632 /nfs/dbraw/zinc/50/56/32/1106505632.db2.gz JABAQYRQJPJSJW-QZTJIDSGSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900124 1106505635 /nfs/dbraw/zinc/50/56/35/1106505635.db2.gz JABAQYRQJPJSJW-QZTJIDSGSA-N 2 1 307.526 3.248 20 0 DGADMP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)CO2 ZINC001256904554 1106506814 /nfs/dbraw/zinc/50/68/14/1106506814.db2.gz JDJSEBHCGNSMLP-AEFFLSMTSA-N 2 1 314.473 3.234 20 0 DGADMP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)CO2 ZINC001256904554 1106506817 /nfs/dbraw/zinc/50/68/17/1106506817.db2.gz JDJSEBHCGNSMLP-AEFFLSMTSA-N 2 1 314.473 3.234 20 0 DGADMP c1cncc(CC2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256904567 1106508577 /nfs/dbraw/zinc/50/85/77/1106508577.db2.gz JIIZLNOLLMJWHA-SFHVURJKSA-N 2 1 313.489 3.401 20 0 DGADMP c1cncc(CC2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256904567 1106508579 /nfs/dbraw/zinc/50/85/79/1106508579.db2.gz JIIZLNOLLMJWHA-SFHVURJKSA-N 2 1 313.489 3.401 20 0 DGADMP COC(=O)CC1([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC001256909210 1106509375 /nfs/dbraw/zinc/50/93/75/1106509375.db2.gz SWOQYNGLYJBVGE-INIZCTEOSA-N 2 1 322.493 3.249 20 0 DGADMP COC(=O)CC1([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256909210 1106509377 /nfs/dbraw/zinc/50/93/77/1106509377.db2.gz SWOQYNGLYJBVGE-INIZCTEOSA-N 2 1 322.493 3.249 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911319 1106510397 /nfs/dbraw/zinc/51/03/97/1106510397.db2.gz LQTQRLFJPMKBCS-AOIWGVFYSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911319 1106510401 /nfs/dbraw/zinc/51/04/01/1106510401.db2.gz LQTQRLFJPMKBCS-AOIWGVFYSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911319 1106510404 /nfs/dbraw/zinc/51/04/04/1106510404.db2.gz LQTQRLFJPMKBCS-AOIWGVFYSA-N 2 1 307.526 3.102 20 0 DGADMP CC1([NH+]2CCCC2)CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256924576 1106512937 /nfs/dbraw/zinc/51/29/37/1106512937.db2.gz PNSRDPKCNXZBME-LJQANCHMSA-N 2 1 319.537 3.344 20 0 DGADMP CC1([NH+]2CCCC2)CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256924575 1106513208 /nfs/dbraw/zinc/51/32/08/1106513208.db2.gz PNSRDPKCNXZBME-IBGZPJMESA-N 2 1 319.537 3.344 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001257038642 1106528372 /nfs/dbraw/zinc/52/83/72/1106528372.db2.gz QYMKADLQCKPXCV-DLBZAZTESA-N 2 1 312.498 3.210 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001257065596 1106533415 /nfs/dbraw/zinc/53/34/15/1106533415.db2.gz QARONXDPUZBPKY-XMTFNYHQSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001257065596 1106533417 /nfs/dbraw/zinc/53/34/17/1106533417.db2.gz QARONXDPUZBPKY-XMTFNYHQSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001257065596 1106533423 /nfs/dbraw/zinc/53/34/23/1106533423.db2.gz QARONXDPUZBPKY-XMTFNYHQSA-N 2 1 322.493 3.057 20 0 DGADMP C[C@H]1CC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C[C@H](C)O1 ZINC001257092427 1106536546 /nfs/dbraw/zinc/53/65/46/1106536546.db2.gz NWKWTQNRDAQENR-HOTGVXAUSA-N 2 1 306.494 3.283 20 0 DGADMP C[C@H]1CC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C[C@H](C)O1 ZINC001257092427 1106536548 /nfs/dbraw/zinc/53/65/48/1106536548.db2.gz NWKWTQNRDAQENR-HOTGVXAUSA-N 2 1 306.494 3.283 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001257210733 1106551570 /nfs/dbraw/zinc/55/15/70/1106551570.db2.gz XKVUJQYUKAGNRR-GOSISDBHSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001257222715 1106554046 /nfs/dbraw/zinc/55/40/46/1106554046.db2.gz CPZVHJGWZRAAJI-UHFFFAOYSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001257222715 1106554048 /nfs/dbraw/zinc/55/40/48/1106554048.db2.gz CPZVHJGWZRAAJI-UHFFFAOYSA-N 2 1 307.526 3.198 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001257223870 1106554693 /nfs/dbraw/zinc/55/46/93/1106554693.db2.gz GKXUZTGXGZVBEW-MRXNPFEDSA-N 2 1 304.478 3.431 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001257223870 1106554699 /nfs/dbraw/zinc/55/46/99/1106554699.db2.gz GKXUZTGXGZVBEW-MRXNPFEDSA-N 2 1 304.478 3.431 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC001257387362 1106579172 /nfs/dbraw/zinc/57/91/72/1106579172.db2.gz GPAMIWAKGRMHPH-INIZCTEOSA-N 2 1 300.487 3.207 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+]CC[NH+](CCC)CCC ZINC001257390071 1106580303 /nfs/dbraw/zinc/58/03/03/1106580303.db2.gz XFQSDYASKXCRRM-MRXNPFEDSA-N 2 1 300.487 3.210 20 0 DGADMP CCCCC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514574 1106601181 /nfs/dbraw/zinc/60/11/81/1106601181.db2.gz JZFKRKWBZIBCGJ-QXAKKESOSA-N 2 1 318.509 3.143 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001257560160 1106605529 /nfs/dbraw/zinc/60/55/29/1106605529.db2.gz JHVJONSHFMEATQ-CYBMUJFWSA-N 2 1 313.283 3.264 20 0 DGADMP CCC(CC)[N@H+](C1CCC(C(=O)OC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257856806 1106635271 /nfs/dbraw/zinc/63/52/71/1106635271.db2.gz PZYUDLNQHWZONA-PBGYJZAOSA-N 2 1 324.509 3.479 20 0 DGADMP CC(C)CN1CCC([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001258003617 1106655958 /nfs/dbraw/zinc/65/59/58/1106655958.db2.gz NRFONKOZTNFGLT-IEBWSBKVSA-N 2 1 309.542 3.240 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001258007605 1106656725 /nfs/dbraw/zinc/65/67/25/1106656725.db2.gz JLYKNAIYPCIQNA-UHFFFAOYSA-N 2 1 324.472 3.354 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001258014446 1106658003 /nfs/dbraw/zinc/65/80/03/1106658003.db2.gz KMSWVQQMFUUVLM-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001258010993 1106658321 /nfs/dbraw/zinc/65/83/21/1106658321.db2.gz GHBMTDVXCCWVIA-TZMCWYRMSA-N 2 1 310.379 3.187 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001258010993 1106658322 /nfs/dbraw/zinc/65/83/22/1106658322.db2.gz GHBMTDVXCCWVIA-TZMCWYRMSA-N 2 1 310.379 3.187 20 0 DGADMP CC(C)C[NH+]1CCC([NH+]2CCC(Oc3ccccn3)CC2)CC1 ZINC001258014597 1106658485 /nfs/dbraw/zinc/65/84/85/1106658485.db2.gz OKACLPSZNHNTKR-UHFFFAOYSA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC(N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258017543 1106659014 /nfs/dbraw/zinc/65/90/14/1106659014.db2.gz LGXODFFCANRUDE-VQTJNVASSA-N 2 1 321.553 3.446 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](C(CC)CC)C2)CC1 ZINC001258027238 1106661407 /nfs/dbraw/zinc/66/14/07/1106661407.db2.gz UYIWVICWPHRIIN-JCYILVPMSA-N 2 1 324.509 3.351 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C(CC)CC)C2)CC1 ZINC001258027238 1106661411 /nfs/dbraw/zinc/66/14/11/1106661411.db2.gz UYIWVICWPHRIIN-JCYILVPMSA-N 2 1 324.509 3.351 20 0 DGADMP CCOC(=O)CC1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001258030675 1106661426 /nfs/dbraw/zinc/66/14/26/1106661426.db2.gz VZTDHIOUTQZXIQ-ADKAHSJRSA-N 2 1 324.509 3.339 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCCC(=O)OCC)CC1 ZINC001258132182 1106679121 /nfs/dbraw/zinc/67/91/21/1106679121.db2.gz VIBLBJQHXLJCGC-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP FC1(F)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258140811 1106679845 /nfs/dbraw/zinc/67/98/45/1106679845.db2.gz JPQHLMZNCDIZKI-UHFFFAOYSA-N 2 1 308.416 3.425 20 0 DGADMP CCO[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145997 1106680305 /nfs/dbraw/zinc/68/03/05/1106680305.db2.gz OHVSCUGXTHEPDW-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP CCO[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145997 1106680307 /nfs/dbraw/zinc/68/03/07/1106680307.db2.gz OHVSCUGXTHEPDW-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP CSCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258216808 1106698891 /nfs/dbraw/zinc/69/88/91/1106698891.db2.gz IQWUVZHOQVLTQW-KKUMJFAQSA-N 2 1 310.532 3.253 20 0 DGADMP COC(=O)CC[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258357579 1106722355 /nfs/dbraw/zinc/72/23/55/1106722355.db2.gz KMMFOPGNOJWJBU-SZMVWBNQSA-N 2 1 318.461 3.100 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001258406665 1106732117 /nfs/dbraw/zinc/73/21/17/1106732117.db2.gz UIMYHHADGIKZSV-QFBILLFUSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001258406665 1106732122 /nfs/dbraw/zinc/73/21/22/1106732122.db2.gz UIMYHHADGIKZSV-QFBILLFUSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001258406665 1106732125 /nfs/dbraw/zinc/73/21/25/1106732125.db2.gz UIMYHHADGIKZSV-QFBILLFUSA-N 2 1 302.462 3.044 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2)CC1 ZINC001320012684 1106784247 /nfs/dbraw/zinc/78/42/47/1106784247.db2.gz ZQSICEYCPFJGIB-LJQANCHMSA-N 2 1 301.478 3.437 20 0 DGADMP [NH3+]CCCc1[nH+]ccn1C1CCN(c2ccccc2Cl)CC1 ZINC001258541225 1106811528 /nfs/dbraw/zinc/81/15/28/1106811528.db2.gz CEAOIQZIYCHCRQ-UHFFFAOYSA-N 2 1 318.852 3.269 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCC(C)(C)C1)C2 ZINC001258602974 1106841981 /nfs/dbraw/zinc/84/19/81/1106841981.db2.gz FDWQSTYTWIUKRT-HNNXBMFYSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCC(C)(C)C1)C2 ZINC001258602974 1106841985 /nfs/dbraw/zinc/84/19/85/1106841985.db2.gz FDWQSTYTWIUKRT-HNNXBMFYSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258602974 1106841993 /nfs/dbraw/zinc/84/19/93/1106841993.db2.gz FDWQSTYTWIUKRT-HNNXBMFYSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258602974 1106842006 /nfs/dbraw/zinc/84/20/06/1106842006.db2.gz FDWQSTYTWIUKRT-HNNXBMFYSA-N 2 1 304.482 3.118 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001258619059 1106857368 /nfs/dbraw/zinc/85/73/68/1106857368.db2.gz NJTMGQLZJCQOFR-HNNXBMFYSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258673287 1106895113 /nfs/dbraw/zinc/89/51/13/1106895113.db2.gz PYZHXLDDHLIDCS-RYUDHWBXSA-N 2 1 301.261 3.466 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](CCO)c2cccc(Cl)c2)CC1 ZINC001258766881 1106962143 /nfs/dbraw/zinc/96/21/43/1106962143.db2.gz IFPMSSKTOFXJBT-QGZVFWFLSA-N 2 1 310.869 3.228 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001258777873 1106971413 /nfs/dbraw/zinc/97/14/13/1106971413.db2.gz LNIVHRFQYHSNMX-GOSISDBHSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001258777873 1106971423 /nfs/dbraw/zinc/97/14/23/1106971423.db2.gz LNIVHRFQYHSNMX-GOSISDBHSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[NH+]1CCC(N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258776037 1106971477 /nfs/dbraw/zinc/97/14/77/1106971477.db2.gz QCWPNKITVBGPCD-RBUKOAKNSA-N 2 1 307.526 3.200 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258821145 1107003125 /nfs/dbraw/zinc/00/31/25/1107003125.db2.gz UDPLPDHDBXUJTJ-GSEOLPGOSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258821145 1107003141 /nfs/dbraw/zinc/00/31/41/1107003141.db2.gz UDPLPDHDBXUJTJ-GSEOLPGOSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258821145 1107003152 /nfs/dbraw/zinc/00/31/52/1107003152.db2.gz UDPLPDHDBXUJTJ-GSEOLPGOSA-N 2 1 320.521 3.245 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821264 1107004493 /nfs/dbraw/zinc/00/44/93/1107004493.db2.gz VLBOVZJLFKWLBS-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821264 1107004508 /nfs/dbraw/zinc/00/45/08/1107004508.db2.gz VLBOVZJLFKWLBS-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821264 1107004523 /nfs/dbraw/zinc/00/45/23/1107004523.db2.gz VLBOVZJLFKWLBS-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821264 1107004538 /nfs/dbraw/zinc/00/45/38/1107004538.db2.gz VLBOVZJLFKWLBS-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258843099 1107020361 /nfs/dbraw/zinc/02/03/61/1107020361.db2.gz XFYNNUAJYWPEMB-VQTJNVASSA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258843099 1107020375 /nfs/dbraw/zinc/02/03/75/1107020375.db2.gz XFYNNUAJYWPEMB-VQTJNVASSA-N 2 1 316.489 3.098 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258904632 1107052278 /nfs/dbraw/zinc/05/22/78/1107052278.db2.gz OMJSDFVBGOSERC-WDSOQIARSA-N 3 1 309.542 3.479 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC(O)CC2)C1 ZINC001261252174 1107373284 /nfs/dbraw/zinc/37/32/84/1107373284.db2.gz ALBBJIWYQIBSCC-TXQGORRRSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC(O)CC2)C1 ZINC001261252174 1107373298 /nfs/dbraw/zinc/37/32/98/1107373298.db2.gz ALBBJIWYQIBSCC-TXQGORRRSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC001261252174 1107373311 /nfs/dbraw/zinc/37/33/11/1107373311.db2.gz ALBBJIWYQIBSCC-TXQGORRRSA-N 2 1 308.510 3.124 20 0 DGADMP CCOCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001261837294 1107542050 /nfs/dbraw/zinc/54/20/50/1107542050.db2.gz ZIPKVXXRMNDOLN-LPHOPBHVSA-N 2 1 302.462 3.012 20 0 DGADMP CCOCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001261837296 1107542514 /nfs/dbraw/zinc/54/25/14/1107542514.db2.gz ZIPKVXXRMNDOLN-VQIMIIECSA-N 2 1 302.462 3.012 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC001262009491 1107571833 /nfs/dbraw/zinc/57/18/33/1107571833.db2.gz YQSPLENWHOLLSU-GOEBONIOSA-N 2 1 308.491 3.290 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCC1 ZINC001262009491 1107571838 /nfs/dbraw/zinc/57/18/38/1107571838.db2.gz YQSPLENWHOLLSU-GOEBONIOSA-N 2 1 308.491 3.290 20 0 DGADMP C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC001262198013 1107647542 /nfs/dbraw/zinc/64/75/42/1107647542.db2.gz CZVOOQUJDJUFIH-SNRMKQJTSA-N 2 1 303.494 3.272 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001262276050 1107666983 /nfs/dbraw/zinc/66/69/83/1107666983.db2.gz SNMQIHFHCYFBFM-MRXNPFEDSA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[nH+]cc3Br)C[C@@H]2C1 ZINC001262376993 1107703959 /nfs/dbraw/zinc/70/39/59/1107703959.db2.gz ISTLPSHMQZWCIS-RWMBFGLXSA-N 2 1 324.266 3.011 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001318913385 1108237518 /nfs/dbraw/zinc/23/75/18/1108237518.db2.gz ZCGXFCRYMFQHMT-IBGZPJMESA-N 2 1 320.452 3.292 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001318953124 1108250848 /nfs/dbraw/zinc/25/08/48/1108250848.db2.gz LUTAJUXMQWWJPS-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199312 1108362845 /nfs/dbraw/zinc/36/28/45/1108362845.db2.gz VXFSWFFQCINCCY-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199312 1108362858 /nfs/dbraw/zinc/36/28/58/1108362858.db2.gz VXFSWFFQCINCCY-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC001319199203 1108363018 /nfs/dbraw/zinc/36/30/18/1108363018.db2.gz SDKYNJLSZQKZQB-DLBZAZTESA-N 2 1 320.477 3.094 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC001319199206 1108363633 /nfs/dbraw/zinc/36/36/33/1108363633.db2.gz SDKYNJLSZQKZQB-SJORKVTESA-N 2 1 320.477 3.094 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1 ZINC001474736715 1108372355 /nfs/dbraw/zinc/37/23/55/1108372355.db2.gz GNARVVFICWPPIW-QAPCUYQASA-N 2 1 317.477 3.228 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001324746787 1108451257 /nfs/dbraw/zinc/45/12/57/1108451257.db2.gz NMUNZOCYGPIKEK-SFHVURJKSA-N 2 1 313.489 3.205 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001324746787 1108451263 /nfs/dbraw/zinc/45/12/63/1108451263.db2.gz NMUNZOCYGPIKEK-SFHVURJKSA-N 2 1 313.489 3.205 20 0 DGADMP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001319471873 1108482926 /nfs/dbraw/zinc/48/29/26/1108482926.db2.gz GJNOGENFWQVRLE-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]CC1([NH3+])CCCCC1 ZINC001325321663 1108620438 /nfs/dbraw/zinc/62/04/38/1108620438.db2.gz XUZXWANZLMUVAA-UHFFFAOYSA-N 2 1 322.522 3.193 20 0 DGADMP CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001265740590 1108988234 /nfs/dbraw/zinc/98/82/34/1108988234.db2.gz HRCRGOGZSKVGCI-DAWZGUTISA-N 2 1 323.525 3.066 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000393512634 1109028489 /nfs/dbraw/zinc/02/84/89/1109028489.db2.gz JXMKFMBNIYJUCX-OPQOLIRYSA-N 2 1 308.510 3.434 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000393512634 1109028493 /nfs/dbraw/zinc/02/84/93/1109028493.db2.gz JXMKFMBNIYJUCX-OPQOLIRYSA-N 2 1 308.510 3.434 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266237741 1109135888 /nfs/dbraw/zinc/13/58/88/1109135888.db2.gz CEMVATIKWXJVCE-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266237741 1109135890 /nfs/dbraw/zinc/13/58/90/1109135890.db2.gz CEMVATIKWXJVCE-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266237741 1109135891 /nfs/dbraw/zinc/13/58/91/1109135891.db2.gz CEMVATIKWXJVCE-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001306941606 1111252585 /nfs/dbraw/zinc/25/25/85/1111252585.db2.gz ILWMTQPPOAXMCE-JHJVBQTASA-N 2 1 315.383 3.301 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001307483494 1111304551 /nfs/dbraw/zinc/30/45/51/1111304551.db2.gz XNIIXFPVERFHES-IEBWSBKVSA-N 2 1 320.452 3.118 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001307483494 1111304556 /nfs/dbraw/zinc/30/45/56/1111304556.db2.gz XNIIXFPVERFHES-IEBWSBKVSA-N 2 1 320.452 3.118 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001307518029 1111309801 /nfs/dbraw/zinc/30/98/01/1111309801.db2.gz KVZVGEQBTPWHAX-RBUKOAKNSA-N 2 1 320.521 3.390 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC001307594203 1111317645 /nfs/dbraw/zinc/31/76/45/1111317645.db2.gz BLRHGWRQPJEAOX-GOSISDBHSA-N 2 1 301.434 3.291 20 0 DGADMP COCC[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC001307594203 1111317648 /nfs/dbraw/zinc/31/76/48/1111317648.db2.gz BLRHGWRQPJEAOX-GOSISDBHSA-N 2 1 301.434 3.291 20 0 DGADMP Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001307661330 1111324743 /nfs/dbraw/zinc/32/47/43/1111324743.db2.gz QJAFJSKJTOLAOD-UKRRQHHQSA-N 2 1 318.486 3.315 20 0 DGADMP Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001307661330 1111324746 /nfs/dbraw/zinc/32/47/46/1111324746.db2.gz QJAFJSKJTOLAOD-UKRRQHHQSA-N 2 1 318.486 3.315 20 0 DGADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001307697339 1111328161 /nfs/dbraw/zinc/32/81/61/1111328161.db2.gz SJMCJWSNLUPXIM-IBGZPJMESA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001307697339 1111328164 /nfs/dbraw/zinc/32/81/64/1111328164.db2.gz SJMCJWSNLUPXIM-IBGZPJMESA-N 2 1 318.505 3.382 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC001307703793 1111329933 /nfs/dbraw/zinc/32/99/33/1111329933.db2.gz ZJLDPBKEKGTJDH-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001307952820 1111358902 /nfs/dbraw/zinc/35/89/02/1111358902.db2.gz YHLSCHWLQUQNLM-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001307952820 1111358907 /nfs/dbraw/zinc/35/89/07/1111358907.db2.gz YHLSCHWLQUQNLM-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001307952820 1111358909 /nfs/dbraw/zinc/35/89/09/1111358909.db2.gz YHLSCHWLQUQNLM-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001307952820 1111358913 /nfs/dbraw/zinc/35/89/13/1111358913.db2.gz YHLSCHWLQUQNLM-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001308090613 1111376593 /nfs/dbraw/zinc/37/65/93/1111376593.db2.gz SYWQSGIUBMQHBP-ZMYBRWDISA-N 2 1 311.404 3.287 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308195601 1111395575 /nfs/dbraw/zinc/39/55/75/1111395575.db2.gz NOQVQMVLTCDRPX-IBGZPJMESA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308195601 1111395581 /nfs/dbraw/zinc/39/55/81/1111395581.db2.gz NOQVQMVLTCDRPX-IBGZPJMESA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308195601 1111395585 /nfs/dbraw/zinc/39/55/85/1111395585.db2.gz NOQVQMVLTCDRPX-IBGZPJMESA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC001308204660 1111397810 /nfs/dbraw/zinc/39/78/10/1111397810.db2.gz XHHUJUKVPNMQIX-CALCHBBNSA-N 2 1 318.509 3.141 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC001308204660 1111397812 /nfs/dbraw/zinc/39/78/12/1111397812.db2.gz XHHUJUKVPNMQIX-CALCHBBNSA-N 2 1 318.509 3.141 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC001308257593 1111405954 /nfs/dbraw/zinc/40/59/54/1111405954.db2.gz WLCBMRQFUXCMAU-GUDVDZBRSA-N 2 1 302.462 3.023 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC001308257593 1111405958 /nfs/dbraw/zinc/40/59/58/1111405958.db2.gz WLCBMRQFUXCMAU-GUDVDZBRSA-N 2 1 302.462 3.023 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001308258507 1111406266 /nfs/dbraw/zinc/40/62/66/1111406266.db2.gz INCXKVSWORGTKK-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001308258507 1111406268 /nfs/dbraw/zinc/40/62/68/1111406268.db2.gz INCXKVSWORGTKK-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001308258507 1111406269 /nfs/dbraw/zinc/40/62/69/1111406269.db2.gz INCXKVSWORGTKK-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1C(C)(C)C ZINC001308554455 1111443325 /nfs/dbraw/zinc/44/33/25/1111443325.db2.gz GMGBNOJJTNHSAI-JFIYKMOQSA-N 2 1 316.489 3.423 20 0 DGADMP CC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC001308636472 1111454080 /nfs/dbraw/zinc/45/40/80/1111454080.db2.gz DQSSFSZGHAFAQM-IBGZPJMESA-N 2 1 316.489 3.313 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCC[C@@H]4CCO4)C[C@@H]3C2)cc1 ZINC001308945701 1111497924 /nfs/dbraw/zinc/49/79/24/1111497924.db2.gz PWERJYGPCNLPGJ-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H](Oc4ccccc4)C3(C)C)[C@H]2C1 ZINC001308984493 1111505390 /nfs/dbraw/zinc/50/53/90/1111505390.db2.gz IWWFMUVBAWNLEB-GPFWEFOESA-N 2 1 314.473 3.162 20 0 DGADMP CCCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316872344 1111786575 /nfs/dbraw/zinc/78/65/75/1111786575.db2.gz BMXJOTRORYFQNP-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC001620727446 1193795068 /nfs/dbraw/zinc/79/50/68/1193795068.db2.gz MLRGHSDOSGGREM-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC001620727446 1193795070 /nfs/dbraw/zinc/79/50/70/1193795070.db2.gz MLRGHSDOSGGREM-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058571 212098569 /nfs/dbraw/zinc/09/85/69/212098569.db2.gz YIQKLOFGZXPHRR-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Br)c1 ZINC000275058571 212098572 /nfs/dbraw/zinc/09/85/72/212098572.db2.gz YIQKLOFGZXPHRR-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1 ZINC000275058571 212098574 /nfs/dbraw/zinc/09/85/74/212098574.db2.gz YIQKLOFGZXPHRR-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278469481 214173353 /nfs/dbraw/zinc/17/33/53/214173353.db2.gz JRPSTZGCRLISOC-IRXDYDNUSA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278469479 214173778 /nfs/dbraw/zinc/17/37/78/214173778.db2.gz JRPSTZGCRLISOC-IAGOWNOFSA-N 2 1 320.477 3.237 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccccc32)CCCO1 ZINC000278566512 214242435 /nfs/dbraw/zinc/24/24/35/214242435.db2.gz PIWUTDIVYRTWPE-LPHOPBHVSA-N 2 1 302.462 3.155 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H](C)c1ccccc1 ZINC000278584541 214254942 /nfs/dbraw/zinc/25/49/42/214254942.db2.gz QGDITXYQFIMJRF-FGTMMUONSA-N 2 1 304.478 3.269 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)c1ccccc1 ZINC000278584541 214254945 /nfs/dbraw/zinc/25/49/45/214254945.db2.gz QGDITXYQFIMJRF-FGTMMUONSA-N 2 1 304.478 3.269 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000278584550 214255343 /nfs/dbraw/zinc/25/53/43/214255343.db2.gz QGDITXYQFIMJRF-KZNAEPCWSA-N 2 1 304.478 3.269 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000278584550 214255345 /nfs/dbraw/zinc/25/53/45/214255345.db2.gz QGDITXYQFIMJRF-KZNAEPCWSA-N 2 1 304.478 3.269 20 0 DGADMP CC1(C)CN(CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000078833483 185117990 /nfs/dbraw/zinc/11/79/90/185117990.db2.gz IFKFADNDOQUEIB-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CC2)CCCO1 ZINC000278633928 214291488 /nfs/dbraw/zinc/29/14/88/214291488.db2.gz SAHLYMYRCLWWJD-LPHOPBHVSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN(CCCO)Cc1cccc(Cl)c1 ZINC000129331582 432003826 /nfs/dbraw/zinc/00/38/26/432003826.db2.gz HMRQUHCMMALSGE-QGZVFWFLSA-N 2 1 310.869 3.009 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCO)Cc1cccc(Cl)c1 ZINC000129331582 432003828 /nfs/dbraw/zinc/00/38/28/432003828.db2.gz HMRQUHCMMALSGE-QGZVFWFLSA-N 2 1 310.869 3.009 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)Cc1cccc(Cl)c1 ZINC000129331582 432003831 /nfs/dbraw/zinc/00/38/31/432003831.db2.gz HMRQUHCMMALSGE-QGZVFWFLSA-N 2 1 310.869 3.009 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000129331582 432003833 /nfs/dbraw/zinc/00/38/33/432003833.db2.gz HMRQUHCMMALSGE-QGZVFWFLSA-N 2 1 310.869 3.009 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000129331582 432003836 /nfs/dbraw/zinc/00/38/36/432003836.db2.gz HMRQUHCMMALSGE-QGZVFWFLSA-N 2 1 310.869 3.009 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC000305890344 231082662 /nfs/dbraw/zinc/08/26/62/231082662.db2.gz LUBZCRCDRADBLK-UHFFFAOYSA-N 2 1 320.440 3.223 20 0 DGADMP CSC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309706183 231101828 /nfs/dbraw/zinc/10/18/28/231101828.db2.gz HTSOAJVOCMMRNO-QGZVFWFLSA-N 2 1 304.503 3.384 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000309880822 231106499 /nfs/dbraw/zinc/10/64/99/231106499.db2.gz VXFBXSWPXFPNAZ-PMACEKPBSA-N 2 1 316.489 3.305 20 0 DGADMP OC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000309839353 231107126 /nfs/dbraw/zinc/10/71/26/231107126.db2.gz VKBRXOOUXPJPQR-RBUKOAKNSA-N 2 1 316.489 3.039 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCSC3)C2)cc1 ZINC000309982248 231110383 /nfs/dbraw/zinc/11/03/83/231110383.db2.gz VQJQNAJWVKMKEE-QZTJIDSGSA-N 2 1 304.503 3.384 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286275132 282211235 /nfs/dbraw/zinc/21/12/35/282211235.db2.gz VNRHQNXXBGCROH-WMLDXEAASA-N 2 1 315.465 3.462 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000090577606 185304685 /nfs/dbraw/zinc/30/46/85/185304685.db2.gz WFWNLBGFYGWMOW-LPHOPBHVSA-N 2 1 304.478 3.338 20 0 DGADMP Cc1cnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821687 185344443 /nfs/dbraw/zinc/34/44/43/185344443.db2.gz YEJAULMSFQAJSM-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP Cc1cnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821687 185344444 /nfs/dbraw/zinc/34/44/44/185344444.db2.gz YEJAULMSFQAJSM-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430569394 529886022 /nfs/dbraw/zinc/88/60/22/529886022.db2.gz XTHUHNHZOLAXDZ-UHFFFAOYSA-N 2 1 320.440 3.320 20 0 DGADMP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000430644506 529924881 /nfs/dbraw/zinc/92/48/81/529924881.db2.gz YXSSYQGSOFEFSK-UHFFFAOYSA-N 2 1 303.233 3.056 20 0 DGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435628629 529925091 /nfs/dbraw/zinc/92/50/91/529925091.db2.gz VKKQSIYWMMPLOS-CQSZACIVSA-N 2 1 316.367 3.158 20 0 DGADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000430937016 529959205 /nfs/dbraw/zinc/95/92/05/529959205.db2.gz YNKNAYZMXWHGHA-GFCCVEGCSA-N 2 1 322.403 3.424 20 0 DGADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000435874601 529964924 /nfs/dbraw/zinc/96/49/24/529964924.db2.gz LTUGZCIVGBHUKL-QGZVFWFLSA-N 2 1 320.477 3.100 20 0 DGADMP C[N@H+](Cc1c(Cl)ccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435446857 529973694 /nfs/dbraw/zinc/97/36/94/529973694.db2.gz MMLFGNDJFHIFSF-AWEZNQCLSA-N 2 1 303.837 3.462 20 0 DGADMP C[N@@H+](Cc1c(Cl)ccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435446857 529973695 /nfs/dbraw/zinc/97/36/95/529973695.db2.gz MMLFGNDJFHIFSF-AWEZNQCLSA-N 2 1 303.837 3.462 20 0 DGADMP C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)CC(C)(C)C[NH3+] ZINC000430582124 529975034 /nfs/dbraw/zinc/97/50/34/529975034.db2.gz KEMZWMBSPMMIRF-UHFFFAOYSA-N 2 1 307.825 3.412 20 0 DGADMP C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)CC(C)(C)C[NH3+] ZINC000430582124 529975035 /nfs/dbraw/zinc/97/50/35/529975035.db2.gz KEMZWMBSPMMIRF-UHFFFAOYSA-N 2 1 307.825 3.412 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000430597470 529988313 /nfs/dbraw/zinc/98/83/13/529988313.db2.gz AJUTWMUICSPFSG-INIZCTEOSA-N 2 1 304.478 3.294 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000430597470 529988314 /nfs/dbraw/zinc/98/83/14/529988314.db2.gz AJUTWMUICSPFSG-INIZCTEOSA-N 2 1 304.478 3.294 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430659600 530001651 /nfs/dbraw/zinc/00/16/51/530001651.db2.gz ZWBZVHNYSQVYAE-CYBMUJFWSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430659600 530001653 /nfs/dbraw/zinc/00/16/53/530001653.db2.gz ZWBZVHNYSQVYAE-CYBMUJFWSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430970281 530005053 /nfs/dbraw/zinc/00/50/53/530005053.db2.gz IWYAKCFJZBQSHH-MRXNPFEDSA-N 2 1 320.440 3.043 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430964526 530005129 /nfs/dbraw/zinc/00/51/29/530005129.db2.gz FIUOOPPAZAFQSW-CYBMUJFWSA-N 2 1 316.367 3.016 20 0 DGADMP C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435448317 530017111 /nfs/dbraw/zinc/01/71/11/530017111.db2.gz UUYIQWFCOKVVGV-MRXNPFEDSA-N 2 1 318.852 3.100 20 0 DGADMP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435448317 530017112 /nfs/dbraw/zinc/01/71/12/530017112.db2.gz UUYIQWFCOKVVGV-MRXNPFEDSA-N 2 1 318.852 3.100 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCOCc3ccccc3)C2)C1 ZINC000293065309 530065522 /nfs/dbraw/zinc/06/55/22/530065522.db2.gz VBNZXBONSPEIFF-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCOCc3ccccc3)C2)C1 ZINC000293065309 530065523 /nfs/dbraw/zinc/06/55/23/530065523.db2.gz VBNZXBONSPEIFF-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCOCc3ccccc3)C2)C1 ZINC000293065309 530065524 /nfs/dbraw/zinc/06/55/24/530065524.db2.gz VBNZXBONSPEIFF-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305615030 530057084 /nfs/dbraw/zinc/05/70/84/530057084.db2.gz CDOAMQHUEQHXBA-OAGGEKHMSA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305615030 530057085 /nfs/dbraw/zinc/05/70/85/530057085.db2.gz CDOAMQHUEQHXBA-OAGGEKHMSA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305615030 530057086 /nfs/dbraw/zinc/05/70/86/530057086.db2.gz CDOAMQHUEQHXBA-OAGGEKHMSA-N 2 1 308.491 3.120 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000449080512 535020178 /nfs/dbraw/zinc/02/01/78/535020178.db2.gz WSVYKRLEKSBMEJ-ROUUACIJSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(N2CCCC2)c1 ZINC000181893196 199364965 /nfs/dbraw/zinc/36/49/65/199364965.db2.gz SFSUDRGOAISIPZ-SJLPKXTDSA-N 2 1 301.478 3.422 20 0 DGADMP C[C@H]1C[C@@H](NCc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000130084315 432014874 /nfs/dbraw/zinc/01/48/74/432014874.db2.gz JXKUGXASJLBWHV-GWCFXTLKSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000130084315 432014880 /nfs/dbraw/zinc/01/48/80/432014880.db2.gz JXKUGXASJLBWHV-GWCFXTLKSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000130084315 432014881 /nfs/dbraw/zinc/01/48/81/432014881.db2.gz JXKUGXASJLBWHV-GWCFXTLKSA-N 2 1 304.331 3.417 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1F ZINC000272653076 210059002 /nfs/dbraw/zinc/05/90/02/210059002.db2.gz QDKNJVOHXDZXNS-GBESFXJTSA-N 2 1 320.452 3.244 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000121409316 185795421 /nfs/dbraw/zinc/79/54/21/185795421.db2.gz RZVFXNMXVNSNRV-ZIAGYGMSSA-N 2 1 314.433 3.137 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](COc2ccccc2)C1 ZINC000272624290 210026470 /nfs/dbraw/zinc/02/64/70/210026470.db2.gz VGHYIFHSQQZWDC-QZTJIDSGSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272624290 210026473 /nfs/dbraw/zinc/02/64/73/210026473.db2.gz VGHYIFHSQQZWDC-QZTJIDSGSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272624290 210026477 /nfs/dbraw/zinc/02/64/77/210026477.db2.gz VGHYIFHSQQZWDC-QZTJIDSGSA-N 2 1 302.462 3.262 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000286961439 219245466 /nfs/dbraw/zinc/24/54/66/219245466.db2.gz HYVONERMRLOLDO-KRWDZBQOSA-N 2 1 310.869 3.228 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279866074 215192260 /nfs/dbraw/zinc/19/22/60/215192260.db2.gz JEVQUWPKXLOWIJ-BZUAXINKSA-N 2 1 320.477 3.127 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152432961 186072650 /nfs/dbraw/zinc/07/26/50/186072650.db2.gz CQIBVCCSSVICNV-NVXWUHKLSA-N 2 1 324.472 3.316 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000171141569 197887751 /nfs/dbraw/zinc/88/77/51/197887751.db2.gz HRSSNGDNNIJMKL-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP CC[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163964989 186144412 /nfs/dbraw/zinc/14/44/12/186144412.db2.gz LXVKHODFWYEJTG-MRXNPFEDSA-N 2 1 320.477 3.064 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000155856918 186118360 /nfs/dbraw/zinc/11/83/60/186118360.db2.gz VXBQQJVQRCPGCM-NVXWUHKLSA-N 2 1 314.477 3.055 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000066961903 432025333 /nfs/dbraw/zinc/02/53/33/432025333.db2.gz SFVCSWZVXWRWDU-CQSZACIVSA-N 2 1 320.481 3.452 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000179685189 186205094 /nfs/dbraw/zinc/20/50/94/186205094.db2.gz GQZAANQTVWFJAU-UHFFFAOYSA-N 2 1 314.477 3.278 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000066961903 432025330 /nfs/dbraw/zinc/02/53/30/432025330.db2.gz SFVCSWZVXWRWDU-CQSZACIVSA-N 2 1 320.481 3.452 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)c1 ZINC000194294770 186278164 /nfs/dbraw/zinc/27/81/64/186278164.db2.gz KZRKEPVJVKQAKF-CVEARBPZSA-N 2 1 306.475 3.242 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)c1 ZINC000194294770 186278166 /nfs/dbraw/zinc/27/81/66/186278166.db2.gz KZRKEPVJVKQAKF-CVEARBPZSA-N 2 1 306.475 3.242 20 0 DGADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000072726274 191222371 /nfs/dbraw/zinc/22/23/71/191222371.db2.gz SNBKMZJQYGHMKF-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000173386301 198209430 /nfs/dbraw/zinc/20/94/30/198209430.db2.gz YTCWJBOGJJXMSL-KBPBESRZSA-N 2 1 317.433 3.196 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000173491084 198219876 /nfs/dbraw/zinc/21/98/76/198219876.db2.gz HATIBKPQFSFYQW-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000173491084 198219878 /nfs/dbraw/zinc/21/98/78/198219878.db2.gz HATIBKPQFSFYQW-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491084 198219879 /nfs/dbraw/zinc/21/98/79/198219879.db2.gz HATIBKPQFSFYQW-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491084 198219881 /nfs/dbraw/zinc/21/98/81/198219881.db2.gz HATIBKPQFSFYQW-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000174513908 198344299 /nfs/dbraw/zinc/34/42/99/198344299.db2.gz SBEFFGUVSHQRTK-FUHWJXTLSA-N 2 1 301.478 3.249 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCCCO)cc1 ZINC000182149844 199393657 /nfs/dbraw/zinc/39/36/57/199393657.db2.gz TUTSWFCTAQUNDE-OAHLLOKOSA-N 2 1 301.434 3.384 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272371576 209764762 /nfs/dbraw/zinc/76/47/62/209764762.db2.gz UTSFBDSHLCIDLC-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000277066032 213273226 /nfs/dbraw/zinc/27/32/26/213273226.db2.gz DLHBLIMSKZZDRN-INIZCTEOSA-N 2 1 323.868 3.085 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000277065503 213271592 /nfs/dbraw/zinc/27/15/92/213271592.db2.gz IMGDAVNNWCGIBW-IMJJTQAJSA-N 2 1 308.853 3.324 20 0 DGADMP Fc1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000297757374 282991594 /nfs/dbraw/zinc/99/15/94/282991594.db2.gz UTSKMAMJYDWIJR-MJGOQNOKSA-N 2 1 318.436 3.262 20 0 DGADMP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164521280 432049228 /nfs/dbraw/zinc/04/92/28/432049228.db2.gz XLTVJGJCUDRFMM-SFHVURJKSA-N 2 1 316.445 3.426 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132431561 432049721 /nfs/dbraw/zinc/04/97/21/432049721.db2.gz CGFVKCZIZOWPTH-OAHLLOKOSA-N 2 1 313.367 3.162 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(F)c1 ZINC000164596648 432050452 /nfs/dbraw/zinc/05/04/52/432050452.db2.gz VAMSIOZDBWLTTD-CYBMUJFWSA-N 2 1 305.397 3.470 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000132756498 432053816 /nfs/dbraw/zinc/05/38/16/432053816.db2.gz BFZZYIOLLTUEPD-CYBMUJFWSA-N 2 1 312.392 3.305 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000132922649 432056058 /nfs/dbraw/zinc/05/60/58/432056058.db2.gz QVYQBIIISPPTND-AEFFLSMTSA-N 2 1 316.489 3.437 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000179404610 432057013 /nfs/dbraw/zinc/05/70/13/432057013.db2.gz URNJSZZSAFOODM-UHFFFAOYSA-N 2 1 307.482 3.499 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(OC)cc2)C1 ZINC000081572780 192294649 /nfs/dbraw/zinc/29/46/49/192294649.db2.gz ITJGKRCGYFUNDB-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000081572780 192294652 /nfs/dbraw/zinc/29/46/52/192294652.db2.gz ITJGKRCGYFUNDB-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000081572780 192294654 /nfs/dbraw/zinc/29/46/54/192294654.db2.gz ITJGKRCGYFUNDB-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166201296 432059763 /nfs/dbraw/zinc/05/97/63/432059763.db2.gz AQUPMSNLXJYSOV-NBYUQASBSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166911739 432063303 /nfs/dbraw/zinc/06/33/03/432063303.db2.gz BUGPTKCCBRFCBV-MAUKXSAKSA-N 2 1 302.462 3.214 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166911739 432063306 /nfs/dbraw/zinc/06/33/06/432063306.db2.gz BUGPTKCCBRFCBV-MAUKXSAKSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337394 432068753 /nfs/dbraw/zinc/06/87/53/432068753.db2.gz WBBKQSFOJLIXNE-BQFCYCMXSA-N 2 1 301.478 3.420 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337394 432068756 /nfs/dbraw/zinc/06/87/56/432068756.db2.gz WBBKQSFOJLIXNE-BQFCYCMXSA-N 2 1 301.478 3.420 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C(C)C)cc1 ZINC000168347179 432068536 /nfs/dbraw/zinc/06/85/36/432068536.db2.gz HNHBKFSJIQYLRT-IBGZPJMESA-N 2 1 318.505 3.263 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000168612149 432069591 /nfs/dbraw/zinc/06/95/91/432069591.db2.gz BLAUIOATQFWDMV-GUTXKFCHSA-N 2 1 312.404 3.415 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000168612149 432069594 /nfs/dbraw/zinc/06/95/94/432069594.db2.gz BLAUIOATQFWDMV-GUTXKFCHSA-N 2 1 312.404 3.415 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc2ccccc12 ZINC000168611713 432069891 /nfs/dbraw/zinc/06/98/91/432069891.db2.gz UUPNFBQOPKAPHE-OLZOCXBDSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc2ccccc12 ZINC000168611713 432069894 /nfs/dbraw/zinc/06/98/94/432069894.db2.gz UUPNFBQOPKAPHE-OLZOCXBDSA-N 2 1 303.837 3.366 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000414690022 283281121 /nfs/dbraw/zinc/28/11/21/283281121.db2.gz HFQUYKUYRPLDMQ-IXDOHACOSA-N 2 1 317.477 3.114 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179782206 199079964 /nfs/dbraw/zinc/07/99/64/199079964.db2.gz PUFOWHQUXONRAA-RDTXWAMCSA-N 2 1 315.461 3.170 20 0 DGADMP CCOCc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC ZINC000180041731 199110879 /nfs/dbraw/zinc/11/08/79/199110879.db2.gz SFMVVARYKCAMDV-QGZVFWFLSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC ZINC000180041731 199110880 /nfs/dbraw/zinc/11/08/80/199110880.db2.gz SFMVVARYKCAMDV-QGZVFWFLSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)ccc1OC ZINC000180041731 199110882 /nfs/dbraw/zinc/11/08/82/199110882.db2.gz SFMVVARYKCAMDV-QGZVFWFLSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)ccc1OC ZINC000180041731 199110884 /nfs/dbraw/zinc/11/08/84/199110884.db2.gz SFMVVARYKCAMDV-QGZVFWFLSA-N 2 1 320.477 3.005 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139500 199121979 /nfs/dbraw/zinc/12/19/79/199121979.db2.gz QKUOVHRDXZAMTG-DGDSNLKDSA-N 2 1 314.473 3.075 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139481 199122335 /nfs/dbraw/zinc/12/23/35/199122335.db2.gz QKUOVHRDXZAMTG-HLKUOHOZSA-N 2 1 314.473 3.075 20 0 DGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)c1ccccc1 ZINC000168263876 299281335 /nfs/dbraw/zinc/28/13/35/299281335.db2.gz QAMAPKHDYQISIX-INIZCTEOSA-N 2 1 304.478 3.053 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCCOCC2)C3)cc1 ZINC000180172420 432080211 /nfs/dbraw/zinc/08/02/11/432080211.db2.gz IJLRUMOPNVAOEA-XUBOLADHSA-N 2 1 314.473 3.341 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058227 237043802 /nfs/dbraw/zinc/04/38/02/237043802.db2.gz VFZMSCDQIKNZJU-GOEBONIOSA-N 2 1 310.388 3.252 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C1CCCC1 ZINC000415063028 237047546 /nfs/dbraw/zinc/04/75/46/237047546.db2.gz GPTCLHBGIINYIG-AWEZNQCLSA-N 2 1 304.331 3.452 20 0 DGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OCC(C)C ZINC000415060548 237047702 /nfs/dbraw/zinc/04/77/02/237047702.db2.gz YPIRQBSJQNVEDA-QGZVFWFLSA-N 2 1 320.477 3.337 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415051615 237032954 /nfs/dbraw/zinc/03/29/54/237032954.db2.gz MFVBXAJUIVDHHF-WBVHZDCISA-N 2 1 324.415 3.295 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[NH2+]C1 ZINC000415087017 237067797 /nfs/dbraw/zinc/06/77/97/237067797.db2.gz SWHDYNYSFGDQEG-GOSISDBHSA-N 2 1 315.392 3.102 20 0 DGADMP c1ccc(OCCCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000187636044 200137568 /nfs/dbraw/zinc/13/75/68/200137568.db2.gz RQVNOVUOIIMXLS-UHFFFAOYSA-N 2 1 302.462 3.452 20 0 DGADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000187767193 200154443 /nfs/dbraw/zinc/15/44/43/200154443.db2.gz NVBAWJKOHMXYAP-MRXNPFEDSA-N 2 1 312.461 3.476 20 0 DGADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000187767193 200154444 /nfs/dbraw/zinc/15/44/44/200154444.db2.gz NVBAWJKOHMXYAP-MRXNPFEDSA-N 2 1 312.461 3.476 20 0 DGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000187944883 200180537 /nfs/dbraw/zinc/18/05/37/200180537.db2.gz NHPJDWRUPNDXLJ-MAUKXSAKSA-N 2 1 324.896 3.270 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(Br)c1 ZINC000237547086 202278397 /nfs/dbraw/zinc/27/83/97/202278397.db2.gz IDXCAEUMPGESSH-GFCCVEGCSA-N 2 1 322.250 3.380 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000237563698 202284597 /nfs/dbraw/zinc/28/45/97/202284597.db2.gz HNWGYMZEMUJMKB-OAHLLOKOSA-N 2 1 323.444 3.316 20 0 DGADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000422765794 237795778 /nfs/dbraw/zinc/79/57/78/237795778.db2.gz LFPJBLTZWOQJLP-HZPDHXFCSA-N 2 1 322.518 3.307 20 0 DGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422850051 237803873 /nfs/dbraw/zinc/80/38/73/237803873.db2.gz CRLYDCMTDPALHA-ROUUACIJSA-N 2 1 320.477 3.160 20 0 DGADMP CCOC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000189353329 200386008 /nfs/dbraw/zinc/38/60/08/200386008.db2.gz XQXQDQYIHWPENE-LJQANCHMSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCCOc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424283370 237889117 /nfs/dbraw/zinc/88/91/17/237889117.db2.gz BNEMDKVBFNFNCJ-HNNXBMFYSA-N 2 1 306.425 3.059 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174365 216130513 /nfs/dbraw/zinc/13/05/13/216130513.db2.gz ICNUCBNHRMIVNB-KBXCAEBGSA-N 2 1 305.441 3.382 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174365 216130516 /nfs/dbraw/zinc/13/05/16/216130516.db2.gz ICNUCBNHRMIVNB-KBXCAEBGSA-N 2 1 305.441 3.382 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430573217 238080525 /nfs/dbraw/zinc/08/05/25/238080525.db2.gz GUUFPELESNKWBJ-UHFFFAOYSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430969703 238091428 /nfs/dbraw/zinc/09/14/28/238091428.db2.gz DRSJSATVDKGDTN-KXBFYZLASA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430969703 238091429 /nfs/dbraw/zinc/09/14/29/238091429.db2.gz DRSJSATVDKGDTN-KXBFYZLASA-N 2 1 323.440 3.108 20 0 DGADMP Clc1cnccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134927874 432091638 /nfs/dbraw/zinc/09/16/38/432091638.db2.gz NHBMEYFYWDJMJD-PBHICJAKSA-N 2 1 305.853 3.184 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000432410949 238127629 /nfs/dbraw/zinc/12/76/29/238127629.db2.gz TVZLSTRPFUXWHS-ZWKOTPCHSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(C)(C)C3)c2)CCO1 ZINC000433170506 238149140 /nfs/dbraw/zinc/14/91/40/238149140.db2.gz XETHDTSLVGCETJ-OAHLLOKOSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(C)(C)C3)c2)CCO1 ZINC000433170506 238149141 /nfs/dbraw/zinc/14/91/41/238149141.db2.gz XETHDTSLVGCETJ-OAHLLOKOSA-N 2 1 302.462 3.186 20 0 DGADMP Oc1cc(F)cc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000433750011 238165584 /nfs/dbraw/zinc/16/55/84/238165584.db2.gz RLKHCYNZWQMOGR-OAHLLOKOSA-N 2 1 315.392 3.054 20 0 DGADMP Oc1cc(F)cc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000433750011 238165586 /nfs/dbraw/zinc/16/55/86/238165586.db2.gz RLKHCYNZWQMOGR-OAHLLOKOSA-N 2 1 315.392 3.054 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000434757299 238240628 /nfs/dbraw/zinc/24/06/28/238240628.db2.gz FZZYBQFFMALSIO-YVWKXTFCSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000434757299 238240629 /nfs/dbraw/zinc/24/06/29/238240629.db2.gz FZZYBQFFMALSIO-YVWKXTFCSA-N 2 1 316.489 3.038 20 0 DGADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000435387174 238298669 /nfs/dbraw/zinc/29/86/69/238298669.db2.gz XUBNULPELUFSBD-INIZCTEOSA-N 2 1 312.413 3.268 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000271874949 209287463 /nfs/dbraw/zinc/28/74/63/209287463.db2.gz YYOHFYOZEBBPBX-UHFFFAOYSA-N 2 1 323.440 3.012 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]CCSCc1ccccc1 ZINC000193909989 201143406 /nfs/dbraw/zinc/14/34/06/201143406.db2.gz XLIQVZMMXLHOLZ-UHFFFAOYSA-N 2 1 303.475 3.495 20 0 DGADMP C=Cn1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000194369888 201211223 /nfs/dbraw/zinc/21/12/23/201211223.db2.gz JGTJPOWIEIZDEC-IAGOWNOFSA-N 2 1 324.472 3.230 20 0 DGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275678988 212479371 /nfs/dbraw/zinc/47/93/71/212479371.db2.gz WETMZMNNUCRMSE-GJZGRUSLSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441463089 239054341 /nfs/dbraw/zinc/05/43/41/239054341.db2.gz KEGCGLOKZVFMQX-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441463089 239054345 /nfs/dbraw/zinc/05/43/45/239054345.db2.gz KEGCGLOKZVFMQX-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP COCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000442786688 239123579 /nfs/dbraw/zinc/12/35/79/239123579.db2.gz VYRZVDBUAAXMCQ-WBAXXEDZSA-N 2 1 308.441 3.366 20 0 DGADMP COCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000442786688 239123587 /nfs/dbraw/zinc/12/35/87/239123587.db2.gz VYRZVDBUAAXMCQ-WBAXXEDZSA-N 2 1 308.441 3.366 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000442874863 239141641 /nfs/dbraw/zinc/14/16/41/239141641.db2.gz MTZVWTRVSLEVNS-GOSISDBHSA-N 2 1 317.521 3.288 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442925804 239152290 /nfs/dbraw/zinc/15/22/90/239152290.db2.gz WWLGQUHUPPXXMR-KRWDZBQOSA-N 2 1 312.461 3.050 20 0 DGADMP OCC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCc2ccccc21 ZINC000444568491 239301792 /nfs/dbraw/zinc/30/17/92/239301792.db2.gz CBBLAAIFDNFYHN-FQEVSTJZSA-N 2 1 316.489 3.234 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000268542321 432103350 /nfs/dbraw/zinc/10/33/50/432103350.db2.gz LEVCJRJUJAQHDB-DLBZAZTESA-N 2 1 302.462 3.359 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000271803748 209230816 /nfs/dbraw/zinc/23/08/16/209230816.db2.gz PPIZRFOVLVTKSE-OAHLLOKOSA-N 2 1 309.417 3.118 20 0 DGADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCC[C@H]1C ZINC000449131223 240031429 /nfs/dbraw/zinc/03/14/29/240031429.db2.gz KXYHIUZNJUHZKJ-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000449129305 240031515 /nfs/dbraw/zinc/03/15/15/240031515.db2.gz UZMKYOMBMOCDQO-RYQLBKOJSA-N 2 1 322.518 3.037 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000449129305 240031519 /nfs/dbraw/zinc/03/15/19/240031519.db2.gz UZMKYOMBMOCDQO-RYQLBKOJSA-N 2 1 322.518 3.037 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449147342 240039713 /nfs/dbraw/zinc/03/97/13/240039713.db2.gz GDXIFMJVLDSXIO-ZWKOTPCHSA-N 2 1 308.510 3.316 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000449205976 240067815 /nfs/dbraw/zinc/06/78/15/240067815.db2.gz KYERCSLOVABZAI-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000449205976 240067818 /nfs/dbraw/zinc/06/78/18/240067818.db2.gz KYERCSLOVABZAI-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP CN(Cc1ccnn1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449318789 240128001 /nfs/dbraw/zinc/12/80/01/240128001.db2.gz FCJRRSCWUSZCDT-BYICEURKSA-N 2 1 302.466 3.055 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521966 240263285 /nfs/dbraw/zinc/26/32/85/240263285.db2.gz JPIKEASACYKFMY-JCHJZTRSSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521966 240263286 /nfs/dbraw/zinc/26/32/86/240263286.db2.gz JPIKEASACYKFMY-JCHJZTRSSA-N 2 1 302.462 3.197 20 0 DGADMP COC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000135267415 432108098 /nfs/dbraw/zinc/10/80/98/432108098.db2.gz WAPDLCUUZOBBDU-BPIHKTFHSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000271785312 209213492 /nfs/dbraw/zinc/21/34/92/209213492.db2.gz FLUKVRBPIKMDHY-CYBMUJFWSA-N 2 1 323.278 3.404 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000293047324 223370107 /nfs/dbraw/zinc/37/01/07/223370107.db2.gz SWBWBFHLKIHJJV-ZBFHGGJFSA-N 2 1 316.424 3.146 20 0 DGADMP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422956854 296120503 /nfs/dbraw/zinc/12/05/03/296120503.db2.gz MFAGCDDQSSFLDX-PBHICJAKSA-N 2 1 322.880 3.118 20 0 DGADMP Cc1ccc(CSCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459374868 243352127 /nfs/dbraw/zinc/35/21/27/243352127.db2.gz UBHOEJLIRNVTPT-UHFFFAOYSA-N 2 1 304.503 3.445 20 0 DGADMP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000459520211 243399391 /nfs/dbraw/zinc/39/93/91/243399391.db2.gz CUGJBFUGFORESP-WJYNOGRTSA-N 2 1 306.400 3.427 20 0 DGADMP CCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000459423411 243363476 /nfs/dbraw/zinc/36/34/76/243363476.db2.gz JPQJJGWBKUJFDL-DGCLKSJQSA-N 2 1 312.841 3.017 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc(Cl)c1O ZINC000459423411 243363479 /nfs/dbraw/zinc/36/34/79/243363479.db2.gz JPQJJGWBKUJFDL-DGCLKSJQSA-N 2 1 312.841 3.017 20 0 DGADMP c1ccc2c(c1)CCS[C@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459428988 243367066 /nfs/dbraw/zinc/36/70/66/243367066.db2.gz PXGKTQRSPMDPOK-SFHVURJKSA-N 2 1 302.487 3.233 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000093088675 193201366 /nfs/dbraw/zinc/20/13/66/193201366.db2.gz FXGSJCASHGFQKV-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000470010626 244139029 /nfs/dbraw/zinc/13/90/29/244139029.db2.gz ALQUDBUQLUZGBS-AWEZNQCLSA-N 2 1 301.459 3.160 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000470010626 244139035 /nfs/dbraw/zinc/13/90/35/244139035.db2.gz ALQUDBUQLUZGBS-AWEZNQCLSA-N 2 1 301.459 3.160 20 0 DGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCOc1cccc(Cl)c1 ZINC000470196327 244155332 /nfs/dbraw/zinc/15/53/32/244155332.db2.gz TYOODHYUYHUKFO-CVEARBPZSA-N 2 1 308.853 3.277 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000471836226 244257507 /nfs/dbraw/zinc/25/75/07/244257507.db2.gz IFLXGTGJRQTWIU-UXHICEINSA-N 2 1 316.489 3.085 20 0 DGADMP Nc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858373 244259447 /nfs/dbraw/zinc/25/94/47/244259447.db2.gz HFBFGGSNCVGURP-CTNGQTDRSA-N 2 1 323.484 3.441 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058571 212098566 /nfs/dbraw/zinc/09/85/66/212098566.db2.gz YIQKLOFGZXPHRR-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452811 193253998 /nfs/dbraw/zinc/25/39/98/193253998.db2.gz FBYPXONYXQMGTL-CWRNSKLLSA-N 2 1 323.278 3.459 20 0 DGADMP COCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563818 193268625 /nfs/dbraw/zinc/26/86/25/193268625.db2.gz MFJYFMYGZYGDFQ-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563818 193268627 /nfs/dbraw/zinc/26/86/27/193268627.db2.gz MFJYFMYGZYGDFQ-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)CC(C)(C)C[NH3+] ZINC000093996761 193337302 /nfs/dbraw/zinc/33/73/02/193337302.db2.gz RNOKELAVRSUQOX-UHFFFAOYSA-N 2 1 303.219 3.005 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1Br)CC1CC[NH2+]CC1 ZINC000094024543 193340131 /nfs/dbraw/zinc/34/01/31/193340131.db2.gz CJDFTGSIENITNW-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CCc1noc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121910133 284208573 /nfs/dbraw/zinc/20/85/73/284208573.db2.gz SEIIDXQIEYOAID-OAHLLOKOSA-N 2 1 320.481 3.281 20 0 DGADMP C[C@@H]1C[C@@H](NCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331578 284217610 /nfs/dbraw/zinc/21/76/10/284217610.db2.gz MHXZRMMLDCLNMG-BXUZGUMPSA-N 2 1 309.251 3.164 20 0 DGADMP C[C@@H]1C[C@@H](NCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331578 284217611 /nfs/dbraw/zinc/21/76/11/284217611.db2.gz MHXZRMMLDCLNMG-BXUZGUMPSA-N 2 1 309.251 3.164 20 0 DGADMP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487268864 245043735 /nfs/dbraw/zinc/04/37/35/245043735.db2.gz HKBRSRBMYBXYFC-XBGMYJNYSA-N 2 1 321.468 3.249 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911349 212026142 /nfs/dbraw/zinc/02/61/42/212026142.db2.gz NFTZQLKKUWBQRS-LEAZDLGRSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268706457 432122731 /nfs/dbraw/zinc/12/27/31/432122731.db2.gz IARMFGOZIYGPSL-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268706457 432122736 /nfs/dbraw/zinc/12/27/36/432122736.db2.gz IARMFGOZIYGPSL-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246371467 432122892 /nfs/dbraw/zinc/12/28/92/432122892.db2.gz JIDNMXUPGYMYJH-BBRMVZONSA-N 2 1 310.869 3.354 20 0 DGADMP C[C@@H](CNc1cc[nH+]c2ccc(Br)cc12)C[NH+](C)C ZINC000488991119 245259097 /nfs/dbraw/zinc/25/90/97/245259097.db2.gz WUTLIZZTLOBFOZ-NSHDSACASA-N 2 1 322.250 3.029 20 0 DGADMP Cc1ccc(C)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124372794 284258057 /nfs/dbraw/zinc/25/80/57/284258057.db2.gz ZLEXDOMRLMVSLF-SFHVURJKSA-N 2 1 317.521 3.228 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000124531148 284260702 /nfs/dbraw/zinc/26/07/02/284260702.db2.gz RKQFQDGGBJXFHD-OAHLLOKOSA-N 2 1 323.550 3.235 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000490036702 245376763 /nfs/dbraw/zinc/37/67/63/245376763.db2.gz ZIQHYIGGPTWJHE-LJQANCHMSA-N 2 1 322.468 3.191 20 0 DGADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000125939242 284288586 /nfs/dbraw/zinc/28/85/86/284288586.db2.gz OVARYICDNQAGIZ-RDJZCZTQSA-N 2 1 303.475 3.259 20 0 DGADMP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482440 217029078 /nfs/dbraw/zinc/02/90/78/217029078.db2.gz LUWJLZXKCIMHLW-IRXDYDNUSA-N 2 1 310.869 3.444 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482440 217029082 /nfs/dbraw/zinc/02/90/82/217029082.db2.gz LUWJLZXKCIMHLW-IRXDYDNUSA-N 2 1 310.869 3.444 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000135563350 432126496 /nfs/dbraw/zinc/12/64/96/432126496.db2.gz TWBIHABCFUVCFS-GOSISDBHSA-N 2 1 321.428 3.115 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000268731118 432126745 /nfs/dbraw/zinc/12/67/45/432126745.db2.gz AHLXTGVAYARTPB-INIZCTEOSA-N 2 1 308.466 3.093 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000268731118 432126749 /nfs/dbraw/zinc/12/67/49/432126749.db2.gz AHLXTGVAYARTPB-INIZCTEOSA-N 2 1 308.466 3.093 20 0 DGADMP Fc1ccc2[nH]cc(CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000282704927 217189536 /nfs/dbraw/zinc/18/95/36/217189536.db2.gz LBKQDVWWFLOPEF-IAGOWNOFSA-N 2 1 315.436 3.456 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268732470 432126971 /nfs/dbraw/zinc/12/69/71/432126971.db2.gz ALFLMVPCGIHISF-KRWDZBQOSA-N 2 1 321.509 3.008 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268732470 432126974 /nfs/dbraw/zinc/12/69/74/432126974.db2.gz ALFLMVPCGIHISF-KRWDZBQOSA-N 3 1 321.509 3.008 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268732470 432126978 /nfs/dbraw/zinc/12/69/78/432126978.db2.gz ALFLMVPCGIHISF-KRWDZBQOSA-N 3 1 321.509 3.008 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127316655 284335087 /nfs/dbraw/zinc/33/50/87/284335087.db2.gz XHBZSFPONJUOBW-HZMBPMFUSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127316655 284335090 /nfs/dbraw/zinc/33/50/90/284335090.db2.gz XHBZSFPONJUOBW-HZMBPMFUSA-N 2 1 315.230 3.018 20 0 DGADMP Cc1cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000266194162 205172455 /nfs/dbraw/zinc/17/24/55/205172455.db2.gz HKJDZGOAHYZBHM-GOSISDBHSA-N 2 1 310.445 3.052 20 0 DGADMP Cc1cc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000266194162 205172460 /nfs/dbraw/zinc/17/24/60/205172460.db2.gz HKJDZGOAHYZBHM-GOSISDBHSA-N 2 1 310.445 3.052 20 0 DGADMP COCCC[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000266393915 205313819 /nfs/dbraw/zinc/31/38/19/205313819.db2.gz OMTZJJCQEHPYHT-UHFFFAOYSA-N 2 1 305.447 3.209 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000282978739 217366412 /nfs/dbraw/zinc/36/64/12/217366412.db2.gz LWRTXGWKGHYAMS-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000282978739 217366415 /nfs/dbraw/zinc/36/64/15/217366415.db2.gz LWRTXGWKGHYAMS-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000268767934 432131609 /nfs/dbraw/zinc/13/16/09/432131609.db2.gz OKGDMUNIIKHGOS-BFYDXBDKSA-N 2 1 320.477 3.302 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000268767934 432131614 /nfs/dbraw/zinc/13/16/14/432131614.db2.gz OKGDMUNIIKHGOS-BFYDXBDKSA-N 2 1 320.477 3.302 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000494514704 246158999 /nfs/dbraw/zinc/15/89/99/246158999.db2.gz OMNIEKMDHVYPSF-XYJFISCASA-N 2 1 304.478 3.391 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000268791692 432134275 /nfs/dbraw/zinc/13/42/75/432134275.db2.gz YEUDEKUMINWMGO-OAHLLOKOSA-N 2 1 319.449 3.024 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000268791692 432134279 /nfs/dbraw/zinc/13/42/79/432134279.db2.gz YEUDEKUMINWMGO-OAHLLOKOSA-N 2 1 319.449 3.024 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462544 206084989 /nfs/dbraw/zinc/08/49/89/206084989.db2.gz SNHYITABDBQUQX-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462544 206084993 /nfs/dbraw/zinc/08/49/93/206084993.db2.gz SNHYITABDBQUQX-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462544 206084997 /nfs/dbraw/zinc/08/49/97/206084997.db2.gz SNHYITABDBQUQX-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462544 206085000 /nfs/dbraw/zinc/08/50/00/206085000.db2.gz SNHYITABDBQUQX-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494887750 246207182 /nfs/dbraw/zinc/20/71/82/246207182.db2.gz FGITWNTWBCAKJB-FCEWJHQRSA-N 2 1 320.452 3.225 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@H+](C/C=C/c3ccncc3)C2)[nH+]1 ZINC000494947700 246213973 /nfs/dbraw/zinc/21/39/73/246213973.db2.gz AWPSDQUHPPPGAK-YZTRRJNXSA-N 2 1 308.429 3.232 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C/C=C/c3ccncc3)C2)[nH+]1 ZINC000494947700 246213980 /nfs/dbraw/zinc/21/39/80/246213980.db2.gz AWPSDQUHPPPGAK-YZTRRJNXSA-N 2 1 308.429 3.232 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000268793815 432135744 /nfs/dbraw/zinc/13/57/44/432135744.db2.gz VVZLITFVMJFZSM-USXIJHARSA-N 2 1 318.461 3.290 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000268793815 432135748 /nfs/dbraw/zinc/13/57/48/432135748.db2.gz VVZLITFVMJFZSM-USXIJHARSA-N 2 1 318.461 3.290 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246474860 432136266 /nfs/dbraw/zinc/13/62/66/432136266.db2.gz OPPCNXKXWTVSQZ-ICSRJNTNSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246474860 432136270 /nfs/dbraw/zinc/13/62/70/432136270.db2.gz OPPCNXKXWTVSQZ-ICSRJNTNSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246474860 432136274 /nfs/dbraw/zinc/13/62/74/432136274.db2.gz OPPCNXKXWTVSQZ-ICSRJNTNSA-N 2 1 314.473 3.282 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000171530003 432141186 /nfs/dbraw/zinc/14/11/86/432141186.db2.gz LDXOGSOTPKIYMR-OAQYLSRUSA-N 2 1 323.484 3.052 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C12CCCC2 ZINC000181693264 432140903 /nfs/dbraw/zinc/14/09/03/432140903.db2.gz UIRVVRUYKBOOMM-HYVNUMGLSA-N 2 1 305.466 3.155 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268816015 432140894 /nfs/dbraw/zinc/14/08/94/432140894.db2.gz GGSKVBZMQXAQHR-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822697 432142350 /nfs/dbraw/zinc/14/23/50/432142350.db2.gz SMRRHFRZMAYCOX-UWJYYQICSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822697 432142355 /nfs/dbraw/zinc/14/23/55/432142355.db2.gz SMRRHFRZMAYCOX-UWJYYQICSA-N 2 1 324.468 3.435 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)cc1 ZINC000268889553 432146944 /nfs/dbraw/zinc/14/69/44/432146944.db2.gz MDPCUYLDYCOAQB-KDOFPFPSSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273999814 211257650 /nfs/dbraw/zinc/25/76/50/211257650.db2.gz MYZDNIOXTXXVAC-UXATZLLSSA-N 2 1 316.489 3.135 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1OC(F)F ZINC000105443496 194104167 /nfs/dbraw/zinc/10/41/67/194104167.db2.gz XWCAMOHUVMQCPR-GFCCVEGCSA-N 2 1 309.360 3.219 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1Cl ZINC000268850925 207017563 /nfs/dbraw/zinc/01/75/63/207017563.db2.gz YBGSBANJXKXMOC-LLVKDONJSA-N 2 1 323.824 3.213 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000268860309 207027921 /nfs/dbraw/zinc/02/79/21/207027921.db2.gz DMIREXWXFNVNFL-YOEHRIQHSA-N 2 1 310.869 3.228 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000110645242 194345430 /nfs/dbraw/zinc/34/54/30/194345430.db2.gz NAEPRWXQNQTFKI-SNVBAGLBSA-N 2 1 315.230 3.147 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000268889466 207058324 /nfs/dbraw/zinc/05/83/24/207058324.db2.gz JEIOTFIKLFDILH-IPZZXCBHSA-N 2 1 312.457 3.192 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269079640 207224846 /nfs/dbraw/zinc/22/48/46/207224846.db2.gz ZERMYOPJFPNIHQ-MJQMVNBJSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269079640 207224851 /nfs/dbraw/zinc/22/48/51/207224851.db2.gz ZERMYOPJFPNIHQ-MJQMVNBJSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)C[NH+]1CCCCC1 ZINC000062708214 184248599 /nfs/dbraw/zinc/24/85/99/184248599.db2.gz PCSNOIXQAALKCT-GFCCVEGCSA-N 2 1 300.368 3.316 20 0 DGADMP CC[NH2+]Cc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000269185828 207305440 /nfs/dbraw/zinc/30/54/40/207305440.db2.gz LSIYOESURXIXRJ-UHFFFAOYSA-N 2 1 317.458 3.172 20 0 DGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(F)c1 ZINC000116396502 194743269 /nfs/dbraw/zinc/74/32/69/194743269.db2.gz XEACPYYOMIJGGJ-CZUORRHYSA-N 2 1 323.456 3.109 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248725968 285019788 /nfs/dbraw/zinc/01/97/88/285019788.db2.gz ILJZNWLJXBZOSE-XWTMOSNGSA-N 2 1 306.494 3.188 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000248870267 285033929 /nfs/dbraw/zinc/03/39/29/285033929.db2.gz JSJBZMMNZGKTST-WBVHZDCISA-N 2 1 322.468 3.287 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000248870267 285033934 /nfs/dbraw/zinc/03/39/34/285033934.db2.gz JSJBZMMNZGKTST-WBVHZDCISA-N 2 1 322.468 3.287 20 0 DGADMP CC(C)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268864189 252785448 /nfs/dbraw/zinc/78/54/48/252785448.db2.gz WCPKLHWKPRLONA-IEBWSBKVSA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268864189 252785451 /nfs/dbraw/zinc/78/54/51/252785451.db2.gz WCPKLHWKPRLONA-IEBWSBKVSA-N 2 1 304.478 3.159 20 0 DGADMP COc1cc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc(OC)c1 ZINC000336870207 253015248 /nfs/dbraw/zinc/01/52/48/253015248.db2.gz HWJITHJDICMAOP-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP COc1cc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc(OC)c1 ZINC000336870207 253015251 /nfs/dbraw/zinc/01/52/51/253015251.db2.gz HWJITHJDICMAOP-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000337195672 253059954 /nfs/dbraw/zinc/05/99/54/253059954.db2.gz WYWSVKHAQPDQIN-MRXNPFEDSA-N 2 1 320.440 3.423 20 0 DGADMP CSc1ccc(OCC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337230845 253066140 /nfs/dbraw/zinc/06/61/40/253066140.db2.gz TXDGFMCYFJXZBA-UHFFFAOYSA-N 2 1 308.491 3.205 20 0 DGADMP CSc1ccc(OCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337230845 253066141 /nfs/dbraw/zinc/06/61/41/253066141.db2.gz TXDGFMCYFJXZBA-UHFFFAOYSA-N 2 1 308.491 3.205 20 0 DGADMP COc1cccc(C2(F)CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000337241763 253067921 /nfs/dbraw/zinc/06/79/21/253067921.db2.gz GABJNEIRSVRSIG-UHFFFAOYSA-N 2 1 317.408 3.161 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000337369868 253099058 /nfs/dbraw/zinc/09/90/58/253099058.db2.gz OPHFHSUBMRMWMX-SJCJKPOMSA-N 2 1 303.837 3.238 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1cccs1 ZINC000337330025 253088694 /nfs/dbraw/zinc/08/86/94/253088694.db2.gz FYJQXCWXMRDXAD-UHFFFAOYSA-N 2 1 323.550 3.029 20 0 DGADMP C([NH2+][C@H]1CC[C@@H]1C1CCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000337999345 253206766 /nfs/dbraw/zinc/20/67/66/253206766.db2.gz OFUBXBGSBHSPDM-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345197952 285104436 /nfs/dbraw/zinc/10/44/36/285104436.db2.gz GRJHUEOGIDUXMS-OAHLLOKOSA-N 2 1 311.267 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777714 253349932 /nfs/dbraw/zinc/34/99/32/253349932.db2.gz BQGQVYJDCJNHGM-FSPWUOQZSA-N 2 1 321.896 3.015 20 0 DGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777714 253349934 /nfs/dbraw/zinc/34/99/34/253349934.db2.gz BQGQVYJDCJNHGM-FSPWUOQZSA-N 2 1 321.896 3.015 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000338923702 253370742 /nfs/dbraw/zinc/37/07/42/253370742.db2.gz ZTCHMNKZVRSJJW-UHFFFAOYSA-N 2 1 318.490 3.065 20 0 DGADMP CC[NH+]1CCC(N(C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000338923702 253370745 /nfs/dbraw/zinc/37/07/45/253370745.db2.gz ZTCHMNKZVRSJJW-UHFFFAOYSA-N 2 1 318.490 3.065 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000338923702 253370749 /nfs/dbraw/zinc/37/07/49/253370749.db2.gz ZTCHMNKZVRSJJW-UHFFFAOYSA-N 2 1 318.490 3.065 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000338923702 253370752 /nfs/dbraw/zinc/37/07/52/253370752.db2.gz ZTCHMNKZVRSJJW-UHFFFAOYSA-N 2 1 318.490 3.065 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1SC ZINC000158899136 197309583 /nfs/dbraw/zinc/30/95/83/197309583.db2.gz LPRIFHLXEZUBLG-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1SC ZINC000158899136 197309585 /nfs/dbraw/zinc/30/95/85/197309585.db2.gz LPRIFHLXEZUBLG-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1SC ZINC000158899136 197309586 /nfs/dbraw/zinc/30/95/86/197309586.db2.gz LPRIFHLXEZUBLG-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1SC ZINC000158899136 197309589 /nfs/dbraw/zinc/30/95/89/197309589.db2.gz LPRIFHLXEZUBLG-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCOCCc3ccccc3)CC[C@@H]21 ZINC000158642376 197290367 /nfs/dbraw/zinc/29/03/67/197290367.db2.gz QAHMGDXZTVVXFE-PMACEKPBSA-N 2 1 316.489 3.052 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCOCCc3ccccc3)CC[C@@H]21 ZINC000158642376 197290369 /nfs/dbraw/zinc/29/03/69/197290369.db2.gz QAHMGDXZTVVXFE-PMACEKPBSA-N 2 1 316.489 3.052 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOCCc3ccccc3)CC[C@@H]21 ZINC000158642376 197290371 /nfs/dbraw/zinc/29/03/71/197290371.db2.gz QAHMGDXZTVVXFE-PMACEKPBSA-N 2 1 316.489 3.052 20 0 DGADMP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000158067011 197240533 /nfs/dbraw/zinc/24/05/33/197240533.db2.gz RGRKYSXTRJSTFW-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000158067011 197240534 /nfs/dbraw/zinc/24/05/34/197240534.db2.gz RGRKYSXTRJSTFW-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000158067011 197240535 /nfs/dbraw/zinc/24/05/35/197240535.db2.gz RGRKYSXTRJSTFW-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000158067011 197240536 /nfs/dbraw/zinc/24/05/36/197240536.db2.gz RGRKYSXTRJSTFW-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342604181 254016523 /nfs/dbraw/zinc/01/65/23/254016523.db2.gz YOAPVECCJYTYOB-ROUUACIJSA-N 2 1 313.445 3.417 20 0 DGADMP CCC1CC([NH2+][C@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000342704944 254035812 /nfs/dbraw/zinc/03/58/12/254035812.db2.gz YZDKNSJJHOLFQY-NKELODKYSA-N 2 1 304.478 3.474 20 0 DGADMP CCC1CC([NH2+][C@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000342704944 254035813 /nfs/dbraw/zinc/03/58/13/254035813.db2.gz YZDKNSJJHOLFQY-NKELODKYSA-N 2 1 304.478 3.474 20 0 DGADMP CC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)COC1 ZINC000342870887 254068548 /nfs/dbraw/zinc/06/85/48/254068548.db2.gz BDTCLIOOXQKAMV-UHFFFAOYSA-N 2 1 314.473 3.011 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343116278 254101812 /nfs/dbraw/zinc/10/18/12/254101812.db2.gz GSSWBPAAWYOXTP-UAGQMJEPSA-N 2 1 320.477 3.097 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000343116278 254101815 /nfs/dbraw/zinc/10/18/15/254101815.db2.gz GSSWBPAAWYOXTP-UAGQMJEPSA-N 2 1 320.477 3.097 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC(F)F)cc1 ZINC000343606901 254167009 /nfs/dbraw/zinc/16/70/09/254167009.db2.gz QUPDKJIOFZAXLW-UHFFFAOYSA-N 2 1 312.404 3.248 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC(F)F)cc1 ZINC000343606901 254167010 /nfs/dbraw/zinc/16/70/10/254167010.db2.gz QUPDKJIOFZAXLW-UHFFFAOYSA-N 2 1 312.404 3.248 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028044 254215667 /nfs/dbraw/zinc/21/56/67/254215667.db2.gz LWTGRRLFHOBQNZ-HNNXBMFYSA-N 2 1 311.901 3.216 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)CCN1CCCCCC1 ZINC000344043253 254217241 /nfs/dbraw/zinc/21/72/41/254217241.db2.gz XBCCMLQMPPZTKP-UHFFFAOYSA-N 2 1 306.498 3.170 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CCN1CCCCCC1 ZINC000344043253 254217242 /nfs/dbraw/zinc/21/72/42/254217242.db2.gz XBCCMLQMPPZTKP-UHFFFAOYSA-N 2 1 306.498 3.170 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000344294442 254252547 /nfs/dbraw/zinc/25/25/47/254252547.db2.gz SJZIPICIAIYYOZ-HKUYNNGSSA-N 2 1 300.446 3.006 20 0 DGADMP CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000344632286 254291075 /nfs/dbraw/zinc/29/10/75/254291075.db2.gz QHRDIRDWSQSFGV-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000344632286 254291077 /nfs/dbraw/zinc/29/10/77/254291077.db2.gz QHRDIRDWSQSFGV-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000344632286 254291079 /nfs/dbraw/zinc/29/10/79/254291079.db2.gz QHRDIRDWSQSFGV-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000344632286 254291081 /nfs/dbraw/zinc/29/10/81/254291081.db2.gz QHRDIRDWSQSFGV-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[N@H+]1C ZINC000344633195 254291301 /nfs/dbraw/zinc/29/13/01/254291301.db2.gz RCSUGOIYLFYNJP-BLLLJJGKSA-N 2 1 318.852 3.302 20 0 DGADMP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272195316 285209831 /nfs/dbraw/zinc/20/98/31/285209831.db2.gz NLEUGCYZVZZELJ-PBHICJAKSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195316 285209834 /nfs/dbraw/zinc/20/98/34/285209834.db2.gz NLEUGCYZVZZELJ-PBHICJAKSA-N 2 1 315.486 3.452 20 0 DGADMP CCn1cc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000156214465 197095744 /nfs/dbraw/zinc/09/57/44/197095744.db2.gz LQJIEWOUEXTLSW-SJORKVTESA-N 2 1 314.477 3.464 20 0 DGADMP CCn1cc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000156214465 197095746 /nfs/dbraw/zinc/09/57/46/197095746.db2.gz LQJIEWOUEXTLSW-SJORKVTESA-N 2 1 314.477 3.464 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199440 197094676 /nfs/dbraw/zinc/09/46/76/197094676.db2.gz IHXYVLUBKUOGFZ-IIDMSEBBSA-N 2 1 302.462 3.294 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199440 197094678 /nfs/dbraw/zinc/09/46/78/197094678.db2.gz IHXYVLUBKUOGFZ-IIDMSEBBSA-N 2 1 302.462 3.294 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000271650400 209093885 /nfs/dbraw/zinc/09/38/85/209093885.db2.gz FCLQYMGJGUTWOG-RDTXWAMCSA-N 2 1 303.450 3.170 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c1 ZINC000271650400 209093887 /nfs/dbraw/zinc/09/38/87/209093887.db2.gz FCLQYMGJGUTWOG-RDTXWAMCSA-N 2 1 303.450 3.170 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000120573842 195193528 /nfs/dbraw/zinc/19/35/28/195193528.db2.gz KDODDEHFJPRTMY-INIZCTEOSA-N 2 1 317.477 3.418 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000151937170 196749234 /nfs/dbraw/zinc/74/92/34/196749234.db2.gz UEWQPEMYSASTOK-GFCCVEGCSA-N 2 1 304.463 3.116 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1O ZINC000289617712 221107144 /nfs/dbraw/zinc/10/71/44/221107144.db2.gz GQFPIFZHQMXNJA-CYBMUJFWSA-N 2 1 304.434 3.068 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294934284 224321929 /nfs/dbraw/zinc/32/19/29/224321929.db2.gz ZRZWJBIFZQINLY-ZIFCJYIRSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294934284 224321932 /nfs/dbraw/zinc/32/19/32/224321932.db2.gz ZRZWJBIFZQINLY-ZIFCJYIRSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000289885621 221292498 /nfs/dbraw/zinc/29/24/98/221292498.db2.gz MQLLCDCLVCTLAO-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000289899285 221300831 /nfs/dbraw/zinc/30/08/31/221300831.db2.gz NIXUYMTWXWHPLK-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000289899285 221300833 /nfs/dbraw/zinc/30/08/33/221300833.db2.gz NIXUYMTWXWHPLK-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000289899285 221300836 /nfs/dbraw/zinc/30/08/36/221300836.db2.gz NIXUYMTWXWHPLK-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000289899285 221300840 /nfs/dbraw/zinc/30/08/40/221300840.db2.gz NIXUYMTWXWHPLK-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000352535713 285354088 /nfs/dbraw/zinc/35/40/88/285354088.db2.gz URTRPWURMYIWQB-IBGZPJMESA-N 2 1 318.461 3.058 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000352535713 285354091 /nfs/dbraw/zinc/35/40/91/285354091.db2.gz URTRPWURMYIWQB-IBGZPJMESA-N 2 1 318.461 3.058 20 0 DGADMP CC(C)c1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121579087 195310292 /nfs/dbraw/zinc/31/02/92/195310292.db2.gz AEAOGWBLKJXQKW-UHFFFAOYSA-N 2 1 320.481 3.281 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000121807852 195351419 /nfs/dbraw/zinc/35/14/19/195351419.db2.gz WIIZMNZGVQINKV-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000121807852 195351420 /nfs/dbraw/zinc/35/14/20/195351420.db2.gz WIIZMNZGVQINKV-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121807852 195351423 /nfs/dbraw/zinc/35/14/23/195351423.db2.gz WIIZMNZGVQINKV-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121807852 195351426 /nfs/dbraw/zinc/35/14/26/195351426.db2.gz WIIZMNZGVQINKV-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000435395550 533353975 /nfs/dbraw/zinc/35/39/75/533353975.db2.gz QLPFGVVLXMRSTK-YIONKMFJSA-N 2 1 300.402 3.156 20 0 DGADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OCC1CCCC1 ZINC000459360786 533365386 /nfs/dbraw/zinc/36/53/86/533365386.db2.gz DRCCPOHLDMDUOU-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OCC1CCCC1 ZINC000459360786 533365389 /nfs/dbraw/zinc/36/53/89/533365389.db2.gz DRCCPOHLDMDUOU-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OCC1CCCC1 ZINC000459360786 533365390 /nfs/dbraw/zinc/36/53/90/533365390.db2.gz DRCCPOHLDMDUOU-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297545698 533642073 /nfs/dbraw/zinc/64/20/73/533642073.db2.gz ZAAWSUHSJNHBAW-INIZCTEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309734804 533649852 /nfs/dbraw/zinc/64/98/52/533649852.db2.gz QIXXGQGZINZHOG-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP c1csc(-c2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)no2)c1 ZINC000357086023 285631553 /nfs/dbraw/zinc/63/15/53/285631553.db2.gz RDERHJNTLGXOEP-CQSZACIVSA-N 2 1 317.458 3.225 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751075 400097679 /nfs/dbraw/zinc/09/76/79/400097679.db2.gz UENNFNDQIBBYMU-NLWGTHIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751075 400097682 /nfs/dbraw/zinc/09/76/82/400097682.db2.gz UENNFNDQIBBYMU-NLWGTHIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751075 400097688 /nfs/dbraw/zinc/09/76/88/400097688.db2.gz UENNFNDQIBBYMU-NLWGTHIKSA-N 2 1 317.521 3.215 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000325743893 400180864 /nfs/dbraw/zinc/18/08/64/400180864.db2.gz CYBJEPRXSDFPEL-MRXNPFEDSA-N 2 1 324.468 3.404 20 0 DGADMP Oc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008731140 400127261 /nfs/dbraw/zinc/12/72/61/400127261.db2.gz FPBBJIHAUVGGQM-UHFFFAOYSA-N 2 1 310.441 3.189 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314705180 400139990 /nfs/dbraw/zinc/13/99/90/400139990.db2.gz BDQKCPCWWLIIFS-FUHWJXTLSA-N 2 1 304.478 3.336 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000069754361 400341994 /nfs/dbraw/zinc/34/19/94/400341994.db2.gz LAOCPKZKJWHYAR-UHFFFAOYSA-N 2 1 313.323 3.270 20 0 DGADMP CSC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000590053594 400351105 /nfs/dbraw/zinc/35/11/05/400351105.db2.gz MLGWEEBYSIWBOD-KRWDZBQOSA-N 2 1 322.518 3.202 20 0 DGADMP Brc1ccccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591083255 400483918 /nfs/dbraw/zinc/48/39/18/400483918.db2.gz STTRFYWMBNHFAB-CQSZACIVSA-N 2 1 320.234 3.483 20 0 DGADMP Brc1ccccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000591083255 400483922 /nfs/dbraw/zinc/48/39/22/400483922.db2.gz STTRFYWMBNHFAB-CQSZACIVSA-N 2 1 320.234 3.483 20 0 DGADMP Fc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157162950 400716018 /nfs/dbraw/zinc/71/60/18/400716018.db2.gz JUZDZCJXPWUODA-QGZVFWFLSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1cccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157162950 400716025 /nfs/dbraw/zinc/71/60/25/400716025.db2.gz JUZDZCJXPWUODA-QGZVFWFLSA-N 2 1 306.425 3.155 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000077435012 400717589 /nfs/dbraw/zinc/71/75/89/400717589.db2.gz UTBYIIKJWDEDSL-UHFFFAOYSA-N 2 1 323.444 3.174 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604388605 400772773 /nfs/dbraw/zinc/77/27/73/400772773.db2.gz JUCYJDQGFFYROO-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604388605 400772776 /nfs/dbraw/zinc/77/27/76/400772776.db2.gz JUCYJDQGFFYROO-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP CN(c1[nH+]cnc2[nH]ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000078160463 400775620 /nfs/dbraw/zinc/77/56/20/400775620.db2.gz DBFABLXCQZVCIF-UHFFFAOYSA-N 2 1 321.428 3.059 20 0 DGADMP COC[C@H](C)[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629506868 400949306 /nfs/dbraw/zinc/94/93/06/400949306.db2.gz HKOHBJKMNJSZFA-KXBFYZLASA-N 2 1 302.462 3.010 20 0 DGADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CO2 ZINC000629512429 400951114 /nfs/dbraw/zinc/95/11/14/400951114.db2.gz ABWMLWMEETVHEH-BJLQDIEVSA-N 2 1 322.452 3.381 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000598994429 400923113 /nfs/dbraw/zinc/92/31/13/400923113.db2.gz MPVGDNILIBFMPU-RCCFBDPRSA-N 2 1 324.509 3.210 20 0 DGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000629581154 400981507 /nfs/dbraw/zinc/98/15/07/400981507.db2.gz OZLAIAOWYZMYKZ-ZDUSSCGKSA-N 2 1 312.379 3.453 20 0 DGADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000237215693 400988072 /nfs/dbraw/zinc/98/80/72/400988072.db2.gz GYODZMDSDXAVEQ-UHFFFAOYSA-N 2 1 315.505 3.246 20 0 DGADMP C[NH2+]CCOCC[N@@H+](C)CCCc1c(Cl)cccc1Cl ZINC000629654257 401019819 /nfs/dbraw/zinc/01/98/19/401019819.db2.gz OQSDIRGQUZVVNK-UHFFFAOYSA-N 2 1 319.276 3.094 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC000620863626 400999944 /nfs/dbraw/zinc/99/99/44/400999944.db2.gz QHKNJKAFSXKRNY-GOSISDBHSA-N 2 1 323.912 3.407 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@H]1C(F)(F)F ZINC000629559038 400975520 /nfs/dbraw/zinc/97/55/20/400975520.db2.gz AIFIHMITQCCFRR-LSDHHAIUSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000629561929 400977273 /nfs/dbraw/zinc/97/72/73/400977273.db2.gz KPHHKNQHEVXCNY-CABCVRRESA-N 2 1 322.415 3.042 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)s1 ZINC000629561538 400977458 /nfs/dbraw/zinc/97/74/58/400977458.db2.gz IKXSULGCTZFQGN-STQMWFEESA-N 2 1 306.397 3.324 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)s1 ZINC000629561538 400977465 /nfs/dbraw/zinc/97/74/65/400977465.db2.gz IKXSULGCTZFQGN-STQMWFEESA-N 2 1 306.397 3.324 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000606901382 400979231 /nfs/dbraw/zinc/97/92/31/400979231.db2.gz GKAFEROUAUZNKU-GOSISDBHSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000606901382 400979238 /nfs/dbraw/zinc/97/92/38/400979238.db2.gz GKAFEROUAUZNKU-GOSISDBHSA-N 2 1 302.462 3.100 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccccn23)c1 ZINC000236668485 400979755 /nfs/dbraw/zinc/97/97/55/400979755.db2.gz SNZSKVIPRZMSRH-UHFFFAOYSA-N 2 1 322.456 3.464 20 0 DGADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000629702359 401048470 /nfs/dbraw/zinc/04/84/70/401048470.db2.gz MAOWAFCYZFCTDP-ZDUSSCGKSA-N 2 1 313.470 3.440 20 0 DGADMP CC(=O)c1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC000629692207 401039708 /nfs/dbraw/zinc/03/97/08/401039708.db2.gz JUVYPNLWJNUQSN-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422916688 286014927 /nfs/dbraw/zinc/01/49/27/286014927.db2.gz BJFWQARIJBDTJF-OKZBNKHCSA-N 2 1 300.377 3.248 20 0 DGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259882 286013786 /nfs/dbraw/zinc/01/37/86/286013786.db2.gz VBUVAVILWKPLTQ-LSDHHAIUSA-N 2 1 317.260 3.101 20 0 DGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259882 286013789 /nfs/dbraw/zinc/01/37/89/286013789.db2.gz VBUVAVILWKPLTQ-LSDHHAIUSA-N 2 1 317.260 3.101 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000062427128 401171186 /nfs/dbraw/zinc/17/11/86/401171186.db2.gz GGXIAAUQBMLMET-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP CCCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000621335217 401171490 /nfs/dbraw/zinc/17/14/90/401171490.db2.gz FRHBKAIOAWFLIK-OAHLLOKOSA-N 2 1 310.507 3.027 20 0 DGADMP CCCc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000621350784 401179189 /nfs/dbraw/zinc/17/91/89/401179189.db2.gz TVUYJWMCSPQAPR-OAHLLOKOSA-N 2 1 310.507 3.291 20 0 DGADMP CCCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000621350784 401179193 /nfs/dbraw/zinc/17/91/93/401179193.db2.gz TVUYJWMCSPQAPR-OAHLLOKOSA-N 2 1 310.507 3.291 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC[N@@H+]1C ZINC000358311778 286028207 /nfs/dbraw/zinc/02/82/07/286028207.db2.gz ZPMLFWZSHDSGKF-OQIJWPOYSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC[N@H+]1C ZINC000358311778 286028209 /nfs/dbraw/zinc/02/82/09/286028209.db2.gz ZPMLFWZSHDSGKF-OQIJWPOYSA-N 2 1 302.462 3.197 20 0 DGADMP Cc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697850 401184095 /nfs/dbraw/zinc/18/40/95/401184095.db2.gz VCOBVDIBSOTZFL-GOSISDBHSA-N 2 1 304.478 3.051 20 0 DGADMP Cc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697850 401184099 /nfs/dbraw/zinc/18/40/99/401184099.db2.gz VCOBVDIBSOTZFL-GOSISDBHSA-N 2 1 304.478 3.051 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697850 401184104 /nfs/dbraw/zinc/18/41/04/401184104.db2.gz VCOBVDIBSOTZFL-GOSISDBHSA-N 2 1 304.478 3.051 20 0 DGADMP Cc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697850 401184109 /nfs/dbraw/zinc/18/41/09/401184109.db2.gz VCOBVDIBSOTZFL-GOSISDBHSA-N 2 1 304.478 3.051 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000608497577 401263781 /nfs/dbraw/zinc/26/37/81/401263781.db2.gz ZCOSQXGIDBBQMD-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)c2C1 ZINC000621643297 401268733 /nfs/dbraw/zinc/26/87/33/401268733.db2.gz CYXRWSPHSJKIPT-HNNXBMFYSA-N 2 1 315.461 3.131 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)c2C1 ZINC000621643297 401268738 /nfs/dbraw/zinc/26/87/38/401268738.db2.gz CYXRWSPHSJKIPT-HNNXBMFYSA-N 2 1 315.461 3.131 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC000090585513 401269125 /nfs/dbraw/zinc/26/91/25/401269125.db2.gz HOKBWCLYJOEMRV-WMLDXEAASA-N 2 1 304.482 3.112 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)n1 ZINC000090585513 401269131 /nfs/dbraw/zinc/26/91/31/401269131.db2.gz HOKBWCLYJOEMRV-WMLDXEAASA-N 2 1 304.482 3.112 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1F ZINC000626126362 401306856 /nfs/dbraw/zinc/30/68/56/401306856.db2.gz MUVZEDHERUJIEM-HZPDHXFCSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1F ZINC000626126362 401306857 /nfs/dbraw/zinc/30/68/57/401306857.db2.gz MUVZEDHERUJIEM-HZPDHXFCSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1F ZINC000626126362 401306858 /nfs/dbraw/zinc/30/68/58/401306858.db2.gz MUVZEDHERUJIEM-HZPDHXFCSA-N 2 1 306.425 3.108 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@H]1C(F)(F)F ZINC000634688301 401335931 /nfs/dbraw/zinc/33/59/31/401335931.db2.gz OMLSMKWVZAYKKN-UKRRQHHQSA-N 2 1 323.362 3.194 20 0 DGADMP CCCn1c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc2ccccc21 ZINC000634732213 401340742 /nfs/dbraw/zinc/34/07/42/401340742.db2.gz AVWBHLICGZQKJU-HNNXBMFYSA-N 2 1 314.477 3.314 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634733123 401341441 /nfs/dbraw/zinc/34/14/41/401341441.db2.gz XIBAWXXWSLHBBV-NEWSRXKRSA-N 3 1 321.553 3.397 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000631035048 401374470 /nfs/dbraw/zinc/37/44/70/401374470.db2.gz IPQSVORUZZHQNN-UHFFFAOYSA-N 2 1 303.450 3.044 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000631042939 401376462 /nfs/dbraw/zinc/37/64/62/401376462.db2.gz NWPBABUDFYAUJJ-MRXNPFEDSA-N 2 1 317.477 3.247 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631075964 401385327 /nfs/dbraw/zinc/38/53/27/401385327.db2.gz UGOPARKAWAYMHZ-HNNXBMFYSA-N 2 1 311.429 3.102 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635003085 401398696 /nfs/dbraw/zinc/39/86/96/401398696.db2.gz FSXHMBLNUSMGIA-HUBLWGQQSA-N 2 1 317.399 3.024 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005683 401400444 /nfs/dbraw/zinc/40/04/44/401400444.db2.gz JXALDPIMLUSTQK-ZULIPRJHSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005683 401400445 /nfs/dbraw/zinc/40/04/45/401400445.db2.gz JXALDPIMLUSTQK-ZULIPRJHSA-N 3 1 315.505 3.004 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635008358 401400674 /nfs/dbraw/zinc/40/06/74/401400674.db2.gz DDUYVVKRXFRIJI-KBPBESRZSA-N 2 1 306.450 3.133 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631572821 401502181 /nfs/dbraw/zinc/50/21/81/401502181.db2.gz STXIMGUQJMECCQ-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccs3)CC2)CC1(C)C ZINC000623444901 401520500 /nfs/dbraw/zinc/52/05/00/401520500.db2.gz WHKSBQRJPJSPID-OAHLLOKOSA-N 2 1 307.507 3.179 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000631635035 401520629 /nfs/dbraw/zinc/52/06/29/401520629.db2.gz IAEOZHPPIUYVPD-QGZVFWFLSA-N 2 1 318.461 3.373 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631646721 401523489 /nfs/dbraw/zinc/52/34/89/401523489.db2.gz BLKATCWFYQWXBS-UZLBHIALSA-N 2 1 314.473 3.394 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(OC)c1OC ZINC000631652549 401524717 /nfs/dbraw/zinc/52/47/17/401524717.db2.gz RUAQABDOQJJILL-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631652549 401524719 /nfs/dbraw/zinc/52/47/19/401524719.db2.gz RUAQABDOQJJILL-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661722 401527675 /nfs/dbraw/zinc/52/76/75/401527675.db2.gz BWIWHHKSYGUCKD-RYRKJORJSA-N 2 1 304.478 3.158 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631665380 401529139 /nfs/dbraw/zinc/52/91/39/401529139.db2.gz WXVGGSFMZWNBMH-AOIWGVFYSA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628149669 401534888 /nfs/dbraw/zinc/53/48/88/401534888.db2.gz JBDBVQHOEHHRJH-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP C[N@@H+](Cc1ccccc1OCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000631866467 401562469 /nfs/dbraw/zinc/56/24/69/401562469.db2.gz YQTNQIBCVRXLRS-GOSISDBHSA-N 2 1 310.441 3.307 20 0 DGADMP C[N@H+](Cc1ccccc1OCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000631866467 401562472 /nfs/dbraw/zinc/56/24/72/401562472.db2.gz YQTNQIBCVRXLRS-GOSISDBHSA-N 2 1 310.441 3.307 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000623655787 401562512 /nfs/dbraw/zinc/56/25/12/401562512.db2.gz FFJCNSZWZOICDV-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000623655787 401562514 /nfs/dbraw/zinc/56/25/14/401562514.db2.gz FFJCNSZWZOICDV-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000623655195 401562517 /nfs/dbraw/zinc/56/25/17/401562517.db2.gz QVZKNFNOXCFVJC-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OCC ZINC000623655854 401562604 /nfs/dbraw/zinc/56/26/04/401562604.db2.gz HLJWBVJCGIQZBT-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000623656935 401563071 /nfs/dbraw/zinc/56/30/71/401563071.db2.gz GBGFSXCIRJMWSG-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000623656935 401563073 /nfs/dbraw/zinc/56/30/73/401563073.db2.gz GBGFSXCIRJMWSG-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657138 401563226 /nfs/dbraw/zinc/56/32/26/401563226.db2.gz KJVADUUSUGNTHU-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657138 401563228 /nfs/dbraw/zinc/56/32/28/401563228.db2.gz KJVADUUSUGNTHU-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000623784881 401579566 /nfs/dbraw/zinc/57/95/66/401579566.db2.gz NXQLKNIBCVETGU-RBUKOAKNSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000623784881 401579570 /nfs/dbraw/zinc/57/95/70/401579570.db2.gz NXQLKNIBCVETGU-RBUKOAKNSA-N 2 1 307.441 3.465 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C)c[nH]2)CC1)CC1CC1 ZINC000628198766 401548571 /nfs/dbraw/zinc/54/85/71/401548571.db2.gz KJKQISSHWSBFDX-UHFFFAOYSA-N 2 1 304.482 3.052 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C)c[nH]2)CC1)CC1CC1 ZINC000628198766 401548574 /nfs/dbraw/zinc/54/85/74/401548574.db2.gz KJKQISSHWSBFDX-UHFFFAOYSA-N 2 1 304.482 3.052 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757373 401550979 /nfs/dbraw/zinc/55/09/79/401550979.db2.gz XEKIKUOCQHUEBZ-LCGIIJARSA-N 2 1 312.379 3.437 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757373 401550983 /nfs/dbraw/zinc/55/09/83/401550983.db2.gz XEKIKUOCQHUEBZ-LCGIIJARSA-N 2 1 312.379 3.437 20 0 DGADMP c1nc(C2CC2)oc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000628232807 401555761 /nfs/dbraw/zinc/55/57/61/401555761.db2.gz OFFXSGCFTJPWAM-UHFFFAOYSA-N 2 1 311.429 3.438 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119466 401627823 /nfs/dbraw/zinc/62/78/23/401627823.db2.gz BTJVIHVVYSJTRW-RDJZCZTQSA-N 2 1 318.461 3.058 20 0 DGADMP COc1cc(F)c([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121066 401628653 /nfs/dbraw/zinc/62/86/53/401628653.db2.gz NDTUBSOXAURMIP-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121066 401628654 /nfs/dbraw/zinc/62/86/54/401628654.db2.gz NDTUBSOXAURMIP-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121066 401628656 /nfs/dbraw/zinc/62/86/56/401628656.db2.gz NDTUBSOXAURMIP-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122534 401629270 /nfs/dbraw/zinc/62/92/70/401629270.db2.gz UCWKQLGHSHLGJY-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122534 401629272 /nfs/dbraw/zinc/62/92/72/401629272.db2.gz UCWKQLGHSHLGJY-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122534 401629275 /nfs/dbraw/zinc/62/92/75/401629275.db2.gz UCWKQLGHSHLGJY-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122022 401629435 /nfs/dbraw/zinc/62/94/35/401629435.db2.gz IDDAHVPFYDBNLB-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122022 401629436 /nfs/dbraw/zinc/62/94/36/401629436.db2.gz IDDAHVPFYDBNLB-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124114 401629602 /nfs/dbraw/zinc/62/96/02/401629602.db2.gz XRNWBQYUQWKJEI-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124114 401629604 /nfs/dbraw/zinc/62/96/04/401629604.db2.gz XRNWBQYUQWKJEI-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000358490189 286076296 /nfs/dbraw/zinc/07/62/96/286076296.db2.gz ZJMDGFIEAHNTCJ-HUUCEWRRSA-N 2 1 306.450 3.169 20 0 DGADMP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000358490189 286076298 /nfs/dbraw/zinc/07/62/98/286076298.db2.gz ZJMDGFIEAHNTCJ-HUUCEWRRSA-N 2 1 306.450 3.169 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508888 286080474 /nfs/dbraw/zinc/08/04/74/286080474.db2.gz MHIDPUIUBMJUDS-ZDUSSCGKSA-N 2 1 310.388 3.425 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508885 286080479 /nfs/dbraw/zinc/08/04/79/286080479.db2.gz MHIDPUIUBMJUDS-CYBMUJFWSA-N 2 1 310.388 3.425 20 0 DGADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358817403 286160928 /nfs/dbraw/zinc/16/09/28/286160928.db2.gz BZCJASZVHMEZDD-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000359102344 286237381 /nfs/dbraw/zinc/23/73/81/286237381.db2.gz FUQSDJMOWSTAFR-QUCCMNQESA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102344 286237382 /nfs/dbraw/zinc/23/73/82/286237382.db2.gz FUQSDJMOWSTAFR-QUCCMNQESA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102344 286237383 /nfs/dbraw/zinc/23/73/83/286237383.db2.gz FUQSDJMOWSTAFR-QUCCMNQESA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000359147202 286248202 /nfs/dbraw/zinc/24/82/02/286248202.db2.gz DTDYEEDPWVVBJF-MAUKXSAKSA-N 2 1 317.477 3.340 20 0 DGADMP OCCC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000359184925 286257411 /nfs/dbraw/zinc/25/74/11/286257411.db2.gz DRPFBELQXIRTOO-FQEVSTJZSA-N 2 1 316.489 3.138 20 0 DGADMP COCCCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359211011 286261874 /nfs/dbraw/zinc/26/18/74/286261874.db2.gz FEUFWYHDUXBVKK-UHFFFAOYSA-N 2 1 304.478 3.305 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000180392638 286354132 /nfs/dbraw/zinc/35/41/32/286354132.db2.gz WMFWGWAIPMDFSD-DLBZAZTESA-N 2 1 302.462 3.216 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000359638604 286351753 /nfs/dbraw/zinc/35/17/53/286351753.db2.gz SALYYCNGNSACCW-OAHLLOKOSA-N 2 1 308.466 3.393 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000359638604 286351756 /nfs/dbraw/zinc/35/17/56/286351756.db2.gz SALYYCNGNSACCW-OAHLLOKOSA-N 2 1 308.466 3.393 20 0 DGADMP COc1cccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000359690034 286361477 /nfs/dbraw/zinc/36/14/77/286361477.db2.gz VATFOESCDMDWOG-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000423322268 286363136 /nfs/dbraw/zinc/36/31/36/286363136.db2.gz GJECLVOJVBBFBX-BPQIPLTHSA-N 2 1 302.462 3.309 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccsc2Cl)C[C@H](C)O1 ZINC000359744819 286372796 /nfs/dbraw/zinc/37/27/96/286372796.db2.gz JTWYSKNNTYQPDF-BETUJISGSA-N 2 1 316.898 3.381 20 0 DGADMP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000359937721 286392578 /nfs/dbraw/zinc/39/25/78/286392578.db2.gz WXFJWVGPRQFCTH-LPHOPBHVSA-N 2 1 304.478 3.433 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000123508544 286488746 /nfs/dbraw/zinc/48/87/46/286488746.db2.gz GMQKUWVTUHNGTD-MSOLQXFVSA-N 2 1 306.494 3.331 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000360910837 286553627 /nfs/dbraw/zinc/55/36/27/286553627.db2.gz XLFHNSDLQWWPRP-WBVHZDCISA-N 2 1 320.452 3.162 20 0 DGADMP COCC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000361396456 286666973 /nfs/dbraw/zinc/66/69/73/286666973.db2.gz UGDRTGRORKJYNS-UHFFFAOYSA-N 2 1 317.477 3.216 20 0 DGADMP CCn1cc([C@@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000361922447 286745071 /nfs/dbraw/zinc/74/50/71/286745071.db2.gz IVTOOOODIDEAND-RYRKJORJSA-N 2 1 306.498 3.454 20 0 DGADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000422765796 286892318 /nfs/dbraw/zinc/89/23/18/286892318.db2.gz LFPJBLTZWOQJLP-JKSUJKDBSA-N 2 1 322.518 3.307 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183189609 287047625 /nfs/dbraw/zinc/04/76/25/287047625.db2.gz JTIAXJICFNPWPA-ARFHVFGLSA-N 2 1 324.509 3.349 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000185491441 165005791 /nfs/dbraw/zinc/00/57/91/165005791.db2.gz MOCCIPONRVHMHP-APWZRJJASA-N 2 1 317.477 3.013 20 0 DGADMP Cc1ncsc1CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762800 165015179 /nfs/dbraw/zinc/01/51/79/165015179.db2.gz IYPVWCSBOIYVPB-UKRRQHHQSA-N 2 1 307.507 3.237 20 0 DGADMP COC[C@@H](Cc1ccccc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000191487441 165253216 /nfs/dbraw/zinc/25/32/16/165253216.db2.gz RALNTNVWCAIINE-LJQANCHMSA-N 2 1 315.461 3.161 20 0 DGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000191487441 165253218 /nfs/dbraw/zinc/25/32/18/165253218.db2.gz RALNTNVWCAIINE-LJQANCHMSA-N 2 1 315.461 3.161 20 0 DGADMP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3C)CC2)oc1C ZINC000191981007 165277129 /nfs/dbraw/zinc/27/71/29/165277129.db2.gz JWMGDFGGERUIEQ-UHFFFAOYSA-N 2 1 314.433 3.319 20 0 DGADMP CCN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192619329 165299128 /nfs/dbraw/zinc/29/91/28/165299128.db2.gz DEMYJZJYJUOLGM-JLYLLQBASA-N 2 1 301.478 3.118 20 0 DGADMP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCCC1 ZINC000192647930 165300945 /nfs/dbraw/zinc/30/09/45/165300945.db2.gz KEZQNAYPBUFDIA-IPQPSQTFSA-N 2 1 307.526 3.102 20 0 DGADMP CO[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193347954 165324976 /nfs/dbraw/zinc/32/49/76/165324976.db2.gz XXZJDIBSALBHLO-BGVWBIDGSA-N 2 1 314.473 3.339 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000129044220 196014741 /nfs/dbraw/zinc/01/47/41/196014741.db2.gz YFMPYWCFIRVPQG-KBAYOESNSA-N 2 1 319.468 3.175 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000129044220 196014743 /nfs/dbraw/zinc/01/47/43/196014743.db2.gz YFMPYWCFIRVPQG-KBAYOESNSA-N 2 1 319.468 3.175 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000129139568 196022435 /nfs/dbraw/zinc/02/24/35/196022435.db2.gz FCNKRRIOPSLHJY-YGRLFVJLSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000129139568 196022437 /nfs/dbraw/zinc/02/24/37/196022437.db2.gz FCNKRRIOPSLHJY-YGRLFVJLSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000181966002 432153704 /nfs/dbraw/zinc/15/37/04/432153704.db2.gz UBKUHAJNWLETLP-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000129466505 196050093 /nfs/dbraw/zinc/05/00/93/196050093.db2.gz FKSHZHPGWLCXNT-YGRLFVJLSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000129466505 196050094 /nfs/dbraw/zinc/05/00/94/196050094.db2.gz FKSHZHPGWLCXNT-YGRLFVJLSA-N 2 1 304.331 3.417 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000136394964 432155098 /nfs/dbraw/zinc/15/50/98/432155098.db2.gz GRFQNFWJFCMXIN-CYBMUJFWSA-N 2 1 308.853 3.095 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000136394964 432155101 /nfs/dbraw/zinc/15/51/01/432155101.db2.gz GRFQNFWJFCMXIN-CYBMUJFWSA-N 2 1 308.853 3.095 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000246912448 432180012 /nfs/dbraw/zinc/18/00/12/432180012.db2.gz FTAZCUUMIOHEPO-JENIJYKNSA-N 3 1 309.542 3.063 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000246912448 432180015 /nfs/dbraw/zinc/18/00/15/432180015.db2.gz FTAZCUUMIOHEPO-JENIJYKNSA-N 2 1 309.542 3.063 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccsc1 ZINC000246847127 432172839 /nfs/dbraw/zinc/17/28/39/432172839.db2.gz CJRVRWIJQJHWCA-BPQIPLTHSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)c1ccsc1 ZINC000246847127 432172843 /nfs/dbraw/zinc/17/28/43/432172843.db2.gz CJRVRWIJQJHWCA-BPQIPLTHSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccsc1 ZINC000246847127 432172845 /nfs/dbraw/zinc/17/28/45/432172845.db2.gz CJRVRWIJQJHWCA-BPQIPLTHSA-N 2 1 323.550 3.451 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCCC1 ZINC000182264749 432173076 /nfs/dbraw/zinc/17/30/76/432173076.db2.gz UVQQXCTUEDXQSB-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP Fc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150778978 432191578 /nfs/dbraw/zinc/19/15/78/432191578.db2.gz DMOKHXHAOZTMQW-MRXNPFEDSA-N 2 1 306.425 3.012 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190699626 432183074 /nfs/dbraw/zinc/18/30/74/432183074.db2.gz NHEAXFUWWMXDJK-UHFFFAOYSA-N 2 1 302.462 3.438 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000247029109 432193706 /nfs/dbraw/zinc/19/37/06/432193706.db2.gz MCIABQVRTKAHLA-OXQOHEQNSA-N 2 1 316.489 3.433 20 0 DGADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846502 432195907 /nfs/dbraw/zinc/19/59/07/432195907.db2.gz NGUGNOCMFZHLJI-OAHLLOKOSA-N 2 1 310.388 3.206 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846502 432195912 /nfs/dbraw/zinc/19/59/12/432195912.db2.gz NGUGNOCMFZHLJI-OAHLLOKOSA-N 2 1 310.388 3.206 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1OC(F)F ZINC000130705511 196102469 /nfs/dbraw/zinc/10/24/69/196102469.db2.gz AAYFEFIVSGFUBV-UHFFFAOYSA-N 2 1 309.360 3.315 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1OC(F)F ZINC000130705511 196102471 /nfs/dbraw/zinc/10/24/71/196102471.db2.gz AAYFEFIVSGFUBV-UHFFFAOYSA-N 2 1 309.360 3.315 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1 ZINC000130979053 196128963 /nfs/dbraw/zinc/12/89/63/196128963.db2.gz BTOQZVJZURGAQM-GJZGRUSLSA-N 2 1 312.461 3.314 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172290135 432207245 /nfs/dbraw/zinc/20/72/45/432207245.db2.gz IUWSCHDBHCYVDD-UHFFFAOYSA-N 2 1 309.457 3.364 20 0 DGADMP C[C@H](CCc1ccco1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247155453 432208019 /nfs/dbraw/zinc/20/80/19/432208019.db2.gz XHVLBQSIHQOGGU-ZACQAIPSSA-N 2 1 308.466 3.080 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000247219760 432212318 /nfs/dbraw/zinc/21/23/18/432212318.db2.gz WHVDEQPAGMCJIC-PKOBYXMFSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000247219760 432212323 /nfs/dbraw/zinc/21/23/23/432212323.db2.gz WHVDEQPAGMCJIC-PKOBYXMFSA-N 2 1 309.542 3.064 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000151069902 432215519 /nfs/dbraw/zinc/21/55/19/432215519.db2.gz OKGDMUNIIKHGOS-ZMSDIMECSA-N 2 1 320.477 3.302 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000151069902 432215521 /nfs/dbraw/zinc/21/55/21/432215521.db2.gz OKGDMUNIIKHGOS-ZMSDIMECSA-N 2 1 320.477 3.302 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000151108156 432219546 /nfs/dbraw/zinc/21/95/46/432219546.db2.gz UOMDUDKHBKSXEG-IRXDYDNUSA-N 2 1 320.477 3.094 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nc(CC)sc32)C1 ZINC000151117986 432221750 /nfs/dbraw/zinc/22/17/50/432221750.db2.gz FWQRPNHRHLYPLX-ZIAGYGMSSA-N 2 1 307.507 3.404 20 0 DGADMP COc1cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000269937452 432224293 /nfs/dbraw/zinc/22/42/93/432224293.db2.gz QVIAEQJMYAWECF-UHFFFAOYSA-N 2 1 317.433 3.039 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000269937452 432224296 /nfs/dbraw/zinc/22/42/96/432224296.db2.gz QVIAEQJMYAWECF-UHFFFAOYSA-N 2 1 317.433 3.039 20 0 DGADMP CCc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000131624299 196185170 /nfs/dbraw/zinc/18/51/70/196185170.db2.gz WLHOVOPBRBSLGZ-UHFFFAOYSA-N 2 1 302.418 3.072 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245551223 287268805 /nfs/dbraw/zinc/26/88/05/287268805.db2.gz ILJZNWLJXBZOSE-TVFCKZIOSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422762574 287344912 /nfs/dbraw/zinc/34/49/12/287344912.db2.gz OAAIUTLXGIOUDH-JLSDUUJJSA-N 2 1 301.478 3.231 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000291281321 222281547 /nfs/dbraw/zinc/28/15/47/222281547.db2.gz RFGNNHBKZWCXLU-PWIZWCRZSA-N 2 1 316.489 3.302 20 0 DGADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935895 263786263 /nfs/dbraw/zinc/78/62/63/263786263.db2.gz CFSFFKFBOIJGTF-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)[NH+](CC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2)C(C)C ZINC000236791764 263847907 /nfs/dbraw/zinc/84/79/07/263847907.db2.gz QCOJOFHDYTXMFG-MRXNPFEDSA-N 2 1 320.477 3.445 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1cccnc1 ZINC000346561178 264054377 /nfs/dbraw/zinc/05/43/77/264054377.db2.gz KIJWDWLMEFTPMR-WGMWDUQUSA-N 2 1 323.484 3.370 20 0 DGADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346618163 264066950 /nfs/dbraw/zinc/06/69/50/264066950.db2.gz DOALCHKVPOXTBC-IBGZPJMESA-N 2 1 311.404 3.162 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346618163 264066951 /nfs/dbraw/zinc/06/69/51/264066951.db2.gz DOALCHKVPOXTBC-IBGZPJMESA-N 2 1 311.404 3.162 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346635692 264070639 /nfs/dbraw/zinc/07/06/39/264070639.db2.gz HLVHSQDOIHENOU-OCCSQVGLSA-N 2 1 318.852 3.003 20 0 DGADMP CCCOc1c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cccc1OCC ZINC000346692610 264080312 /nfs/dbraw/zinc/08/03/12/264080312.db2.gz HVJONAPCEOAWOS-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cccc1OCC ZINC000346692610 264080315 /nfs/dbraw/zinc/08/03/15/264080315.db2.gz HVJONAPCEOAWOS-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC(F)F)cc1C ZINC000346821792 264103647 /nfs/dbraw/zinc/10/36/47/264103647.db2.gz DFJOHTMSGQQXJX-NWANDNLSSA-N 2 1 310.388 3.074 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC(F)F)cc1C ZINC000346821792 264103648 /nfs/dbraw/zinc/10/36/48/264103648.db2.gz DFJOHTMSGQQXJX-NWANDNLSSA-N 2 1 310.388 3.074 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(OC(F)F)cc1C ZINC000346821785 264104021 /nfs/dbraw/zinc/10/40/21/264104021.db2.gz DFJOHTMSGQQXJX-AEGPPILISA-N 2 1 310.388 3.074 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(OC(F)F)cc1C ZINC000346821785 264104022 /nfs/dbraw/zinc/10/40/22/264104022.db2.gz DFJOHTMSGQQXJX-AEGPPILISA-N 2 1 310.388 3.074 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(C)c1OC(F)F ZINC000346828978 264104341 /nfs/dbraw/zinc/10/43/41/264104341.db2.gz OBEGLSQVHYAEFU-HRCADAONSA-N 2 1 324.415 3.464 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346838043 264106805 /nfs/dbraw/zinc/10/68/05/264106805.db2.gz PXPOGWHSHMBFJG-ULQDDVLXSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]12 ZINC000346848756 264108475 /nfs/dbraw/zinc/10/84/75/264108475.db2.gz QTHBHTNZFRMRNQ-XGWLTEMNSA-N 2 1 300.377 3.255 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccc3)C[C@@H]12 ZINC000346854894 264108998 /nfs/dbraw/zinc/10/89/98/264108998.db2.gz ZCCJTVVHSLBXAH-DFQSSKMNSA-N 2 1 322.452 3.435 20 0 DGADMP CC(C)([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000346979700 264132948 /nfs/dbraw/zinc/13/29/48/264132948.db2.gz LPYVXZKVRMMPRH-LBPRGKRZSA-N 2 1 311.267 3.273 20 0 DGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(C)C ZINC000347007749 264138948 /nfs/dbraw/zinc/13/89/48/264138948.db2.gz DJNSIKHZPGSDBR-SJPCQFCGSA-N 2 1 318.461 3.197 20 0 DGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(C)C ZINC000347007749 264138950 /nfs/dbraw/zinc/13/89/50/264138950.db2.gz DJNSIKHZPGSDBR-SJPCQFCGSA-N 2 1 318.461 3.197 20 0 DGADMP CCCOc1cc(C[N@@H+](CCC)C2CC[NH2+]CC2)ccc1OC ZINC000347046493 264146603 /nfs/dbraw/zinc/14/66/03/264146603.db2.gz OHIPVTFLHMGKNK-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347086273 264153814 /nfs/dbraw/zinc/15/38/14/264153814.db2.gz DTUSHINUCKEXFG-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000347095743 264155443 /nfs/dbraw/zinc/15/54/43/264155443.db2.gz HRCSWWIKLPZDRM-KRWDZBQOSA-N 2 1 311.429 3.224 20 0 DGADMP CSc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000347116700 264160223 /nfs/dbraw/zinc/16/02/23/264160223.db2.gz WYEXAOGBUAHSIW-MRXNPFEDSA-N 2 1 300.427 3.457 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151367 264165389 /nfs/dbraw/zinc/16/53/89/264165389.db2.gz ATZRHJZSSFMBPZ-NEPJUHHUSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151367 264165390 /nfs/dbraw/zinc/16/53/90/264165390.db2.gz ATZRHJZSSFMBPZ-NEPJUHHUSA-N 2 1 307.488 3.431 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347153416 264166200 /nfs/dbraw/zinc/16/62/00/264166200.db2.gz CHQMLJVAZMVGGK-FUNVUKJBSA-N 2 1 314.351 3.142 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347153416 264166202 /nfs/dbraw/zinc/16/62/02/264166202.db2.gz CHQMLJVAZMVGGK-FUNVUKJBSA-N 2 1 314.351 3.142 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347163410 264167652 /nfs/dbraw/zinc/16/76/52/264167652.db2.gz ITVFUKJPGFOXCO-CQSZACIVSA-N 2 1 307.869 3.111 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347163410 264167654 /nfs/dbraw/zinc/16/76/54/264167654.db2.gz ITVFUKJPGFOXCO-CQSZACIVSA-N 2 1 307.869 3.111 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347193855 264173970 /nfs/dbraw/zinc/17/39/70/264173970.db2.gz GJTQWMPRXLPLEL-WMLDXEAASA-N 2 1 313.420 3.447 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC000347288175 264190699 /nfs/dbraw/zinc/19/06/99/264190699.db2.gz RAOPWWPLJXTUOR-ZDUSSCGKSA-N 2 1 310.511 3.351 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC000347288175 264190702 /nfs/dbraw/zinc/19/07/02/264190702.db2.gz RAOPWWPLJXTUOR-ZDUSSCGKSA-N 2 1 310.511 3.351 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000347588927 264247052 /nfs/dbraw/zinc/24/70/52/264247052.db2.gz XQXOAOXKNOZYOU-UHFFFAOYSA-N 2 1 322.468 3.396 20 0 DGADMP CN(Cc1ncc(C[NH+](C)C)s1)Cc1cccc(Cl)c1 ZINC000347656570 264261035 /nfs/dbraw/zinc/26/10/35/264261035.db2.gz SMFIXDLUPDLVGB-UHFFFAOYSA-N 2 1 309.866 3.490 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1 ZINC000347914580 264304879 /nfs/dbraw/zinc/30/48/79/264304879.db2.gz YMRICXHPCDLRBV-GJZGRUSLSA-N 2 1 321.428 3.253 20 0 DGADMP COC(=O)C[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000347950186 264312944 /nfs/dbraw/zinc/31/29/44/264312944.db2.gz CGVRDIOUWQYACD-QGZVFWFLSA-N 2 1 321.465 3.073 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348145923 264352657 /nfs/dbraw/zinc/35/26/57/264352657.db2.gz UDDPLWFNJRYHMR-QLIIJSOBSA-N 2 1 314.473 3.054 20 0 DGADMP CCc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000348263353 264377945 /nfs/dbraw/zinc/37/79/45/264377945.db2.gz SWUMAMALVVGSNF-UHFFFAOYSA-N 2 1 324.472 3.387 20 0 DGADMP CC1(C)CC[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000348317751 264389078 /nfs/dbraw/zinc/38/90/78/264389078.db2.gz BBVHRKQACOGURM-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000348317751 264389079 /nfs/dbraw/zinc/38/90/79/264389079.db2.gz BBVHRKQACOGURM-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000348317751 264389081 /nfs/dbraw/zinc/38/90/81/264389081.db2.gz BBVHRKQACOGURM-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP Cc1ccnc(N2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)c1 ZINC000352344253 265009254 /nfs/dbraw/zinc/00/92/54/265009254.db2.gz DFUMAYCTKIEDIJ-DOTOQJQBSA-N 2 1 311.429 3.429 20 0 DGADMP CCCOc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OC ZINC000352534199 265080750 /nfs/dbraw/zinc/08/07/50/265080750.db2.gz DTATZDLTPOBQQS-INIZCTEOSA-N 2 1 306.450 3.187 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccc(N2CCCC2)nc1)CC1CCCC1 ZINC000352533945 265080839 /nfs/dbraw/zinc/08/08/39/265080839.db2.gz BJWUCUSZVJLTNJ-UHFFFAOYSA-N 2 1 316.493 3.023 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352527327 265081008 /nfs/dbraw/zinc/08/10/08/265081008.db2.gz YZEYDGJJYIFCOR-MRXNPFEDSA-N 2 1 306.450 3.187 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352686440 265129381 /nfs/dbraw/zinc/12/93/81/265129381.db2.gz ZJHWTAPQGNIHSA-PWIZWCRZSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352686440 265129383 /nfs/dbraw/zinc/12/93/83/265129383.db2.gz ZJHWTAPQGNIHSA-PWIZWCRZSA-N 2 1 315.505 3.142 20 0 DGADMP CS[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000352730982 265143900 /nfs/dbraw/zinc/14/39/00/265143900.db2.gz HQDZNQCGVOPWEO-GFCCVEGCSA-N 2 1 301.525 3.072 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352760061 265155734 /nfs/dbraw/zinc/15/57/34/265155734.db2.gz NKWHLWKUSHPPLO-DHCBQETCSA-N 2 1 305.372 3.409 20 0 DGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777794 265162472 /nfs/dbraw/zinc/16/24/72/265162472.db2.gz USUKNJPEEBLOSN-UONOGXRCSA-N 2 1 313.536 3.359 20 0 DGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777795 265162476 /nfs/dbraw/zinc/16/24/76/265162476.db2.gz USUKNJPEEBLOSN-ZIAGYGMSSA-N 2 1 313.536 3.359 20 0 DGADMP CCc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000352780359 265164776 /nfs/dbraw/zinc/16/47/76/265164776.db2.gz OQEHUHGXIVCFOH-UHFFFAOYSA-N 2 1 309.457 3.182 20 0 DGADMP CCc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000352780359 265164780 /nfs/dbraw/zinc/16/47/80/265164780.db2.gz OQEHUHGXIVCFOH-UHFFFAOYSA-N 2 1 309.457 3.182 20 0 DGADMP CCOCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352834862 265189107 /nfs/dbraw/zinc/18/91/07/265189107.db2.gz XIRHZCBPYHQZAA-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CCOCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352834862 265189113 /nfs/dbraw/zinc/18/91/13/265189113.db2.gz XIRHZCBPYHQZAA-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CCOCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352834862 265189114 /nfs/dbraw/zinc/18/91/14/265189114.db2.gz XIRHZCBPYHQZAA-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352964580 265248346 /nfs/dbraw/zinc/24/83/46/265248346.db2.gz DAYKDVNBXBLGBF-VBQJREDUSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352964580 265248348 /nfs/dbraw/zinc/24/83/48/265248348.db2.gz DAYKDVNBXBLGBF-VBQJREDUSA-N 2 1 304.409 3.256 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCC(C)(C)CC1 ZINC000355241679 266012362 /nfs/dbraw/zinc/01/23/62/266012362.db2.gz UBKKUNMZOPVFDC-KURKYZTESA-N 2 1 308.510 3.386 20 0 DGADMP CN(c1ccccc1C[N@H+]1CC[C@@](C)(F)C1)C1CC[NH+](C)CC1 ZINC000355351539 266047091 /nfs/dbraw/zinc/04/70/91/266047091.db2.gz FOFGJQYFKLMSFS-LJQANCHMSA-N 2 1 319.468 3.151 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1C(C)(C)C ZINC000191189304 432232572 /nfs/dbraw/zinc/23/25/72/432232572.db2.gz FYOOLQUTTGGLQE-LSDHHAIUSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1C(C)(C)C ZINC000191189873 432232512 /nfs/dbraw/zinc/23/25/12/432232512.db2.gz BEPSESJFGYHBDZ-CQSZACIVSA-N 2 1 318.509 3.472 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000182825727 432233537 /nfs/dbraw/zinc/23/35/37/432233537.db2.gz TZLQFRSNVGHCFQ-SJKOYZFVSA-N 2 1 323.387 3.083 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCn2ccnc2)CC1 ZINC000182861902 432236404 /nfs/dbraw/zinc/23/64/04/432236404.db2.gz SKFCMQQVGUZTGF-GOSISDBHSA-N 2 1 318.509 3.250 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000270376537 432238933 /nfs/dbraw/zinc/23/89/33/432238933.db2.gz VFECTRYCBMZHPH-SFHVURJKSA-N 2 1 320.440 3.447 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191265819 432242528 /nfs/dbraw/zinc/24/25/28/432242528.db2.gz YMCYTQKTPLDDQP-ZIAGYGMSSA-N 2 1 317.481 3.438 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(CO)c1 ZINC000270420719 432244915 /nfs/dbraw/zinc/24/49/15/432244915.db2.gz FJNPVAZVHHYTAS-IXDOHACOSA-N 2 1 304.478 3.198 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423276334 273555206 /nfs/dbraw/zinc/55/52/06/273555206.db2.gz OIULEZUMJWQNNH-ZIAGYGMSSA-N 2 1 315.230 3.148 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073479 533687984 /nfs/dbraw/zinc/68/79/84/533687984.db2.gz ZGZYFZSXPLITMK-MLGOLLRUSA-N 2 1 323.868 3.164 20 0 DGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCCO2 ZINC000359898372 271012288 /nfs/dbraw/zinc/01/22/88/271012288.db2.gz LJPHXUHXAFTGTD-GOSISDBHSA-N 2 1 300.446 3.369 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482688 271163649 /nfs/dbraw/zinc/16/36/49/271163649.db2.gz LATKFPIQORBUMU-HAGHYFMRSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482688 271163654 /nfs/dbraw/zinc/16/36/54/271163654.db2.gz LATKFPIQORBUMU-HAGHYFMRSA-N 2 1 314.473 3.056 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000368769484 271205452 /nfs/dbraw/zinc/20/54/52/271205452.db2.gz ZYPBLDQKXLCKJG-BRWVUGGUSA-N 2 1 324.415 3.308 20 0 DGADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2cccs2)n1 ZINC000369046507 271235253 /nfs/dbraw/zinc/23/52/53/271235253.db2.gz FXDYMSJBAQARSN-UHFFFAOYSA-N 2 1 318.490 3.066 20 0 DGADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2cccs2)n1 ZINC000369046507 271235255 /nfs/dbraw/zinc/23/52/55/271235255.db2.gz FXDYMSJBAQARSN-UHFFFAOYSA-N 2 1 318.490 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000369541140 271290390 /nfs/dbraw/zinc/29/03/90/271290390.db2.gz SBHVGMOFRIUDBE-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000369541140 271290394 /nfs/dbraw/zinc/29/03/94/271290394.db2.gz SBHVGMOFRIUDBE-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541140 271290397 /nfs/dbraw/zinc/29/03/97/271290397.db2.gz SBHVGMOFRIUDBE-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541140 271290401 /nfs/dbraw/zinc/29/04/01/271290401.db2.gz SBHVGMOFRIUDBE-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000370652134 271379074 /nfs/dbraw/zinc/37/90/74/271379074.db2.gz MRKMIQRAWHTUEX-VYDXJSESSA-N 2 1 321.896 3.239 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000247881035 432252712 /nfs/dbraw/zinc/25/27/12/432252712.db2.gz BQVRWNJNIGSCIN-YZGWKJHDSA-N 2 1 317.521 3.389 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(CO)c1 ZINC000270510656 432253232 /nfs/dbraw/zinc/25/32/32/432253232.db2.gz PEIZGBBVFVHVDO-IAGOWNOFSA-N 2 1 304.478 3.484 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](Nc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000247921192 432254962 /nfs/dbraw/zinc/25/49/62/432254962.db2.gz BDYKJALMEVFEIE-YTQUADARSA-N 2 1 303.494 3.443 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](Nc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000247921190 432255360 /nfs/dbraw/zinc/25/53/60/432255360.db2.gz BDYKJALMEVFEIE-WDSOQIARSA-N 2 1 303.494 3.443 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193158510 273870103 /nfs/dbraw/zinc/87/01/03/273870103.db2.gz PSOKMYFQEICHQG-HNNXBMFYSA-N 2 1 309.251 3.120 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422737856 274156268 /nfs/dbraw/zinc/15/62/68/274156268.db2.gz HTMBHYZYWSKWNK-WBVHZDCISA-N 2 1 302.462 3.237 20 0 DGADMP CS[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1[NH+](C)C ZINC000340736243 274187000 /nfs/dbraw/zinc/18/70/00/274187000.db2.gz GCBGKEGGDXKWFM-HOTGVXAUSA-N 2 1 321.877 3.370 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000423085339 274238170 /nfs/dbraw/zinc/23/81/70/274238170.db2.gz KGFNMLGQWFFUAV-FOIQADDNSA-N 2 1 305.425 3.283 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157544536 274239169 /nfs/dbraw/zinc/23/91/69/274239169.db2.gz MNCXWZMHKZJHNO-CHWSQXEVSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300282 274380672 /nfs/dbraw/zinc/38/06/72/274380672.db2.gz JWAUNWRIFHKXQW-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300282 274380673 /nfs/dbraw/zinc/38/06/73/274380673.db2.gz JWAUNWRIFHKXQW-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000422897777 274515495 /nfs/dbraw/zinc/51/54/95/274515495.db2.gz CTMBBPQBKJGJKI-ZSZQSSIHSA-N 2 1 311.429 3.313 20 0 DGADMP Brc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000226435518 275373421 /nfs/dbraw/zinc/37/34/21/275373421.db2.gz MLICCOHUUUWERJ-AWEZNQCLSA-N 2 1 323.278 3.413 20 0 DGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000247981195 276025375 /nfs/dbraw/zinc/02/53/75/276025375.db2.gz IIDICVIIBSAZPW-RBUKOAKNSA-N 2 1 304.478 3.354 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(OC)c1 ZINC000343707085 276109088 /nfs/dbraw/zinc/10/90/88/276109088.db2.gz CYYNINGBWKWNHV-AEFFLSMTSA-N 2 1 305.466 3.080 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000252537000 276216929 /nfs/dbraw/zinc/21/69/29/276216929.db2.gz KCSJBNNFCOLILW-NXWXRZEISA-N 2 1 302.462 3.084 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422726907 276340347 /nfs/dbraw/zinc/34/03/47/276340347.db2.gz ASNHSCFCBXRRGV-YTQUADARSA-N 2 1 303.494 3.047 20 0 DGADMP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290244478 277235321 /nfs/dbraw/zinc/23/53/21/277235321.db2.gz SWHYKFQLZOKVMJ-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000284509850 277330582 /nfs/dbraw/zinc/33/05/82/277330582.db2.gz VNUMCISRVMZFMZ-IEBWSBKVSA-N 2 1 302.462 3.182 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000235365504 278010319 /nfs/dbraw/zinc/01/03/19/278010319.db2.gz CEBCBAILGBIBCV-TZMCWYRMSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000283207856 278027743 /nfs/dbraw/zinc/02/77/43/278027743.db2.gz LVEYVSNBRPTLCK-XYPHTWIQSA-N 2 1 309.885 3.015 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C2 ZINC000495256612 278031877 /nfs/dbraw/zinc/03/18/77/278031877.db2.gz SYQQBNBCOBSNHR-SJLPKXTDSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854082 278163892 /nfs/dbraw/zinc/16/38/92/278163892.db2.gz UIGJFAXZSDWCEN-DYVFJYSZSA-N 2 1 321.440 3.040 20 0 DGADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423079186 278215582 /nfs/dbraw/zinc/21/55/82/278215582.db2.gz XOTWICGIQNQWMY-RCCFBDPRSA-N 2 1 307.526 3.009 20 0 DGADMP CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423079186 278215583 /nfs/dbraw/zinc/21/55/83/278215583.db2.gz XOTWICGIQNQWMY-RCCFBDPRSA-N 2 1 307.526 3.009 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC)cc1 ZINC000278350538 288040570 /nfs/dbraw/zinc/04/05/70/288040570.db2.gz AUTKMVDHTVZANA-LPHOPBHVSA-N 2 1 320.477 3.237 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000178119849 288105502 /nfs/dbraw/zinc/10/55/02/288105502.db2.gz YHEOPQPDMXNURN-BZUAXINKSA-N 2 1 312.498 3.207 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065353 279121069 /nfs/dbraw/zinc/12/10/69/279121069.db2.gz AFCHFXMOEAZVTO-OKYOBFRVSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339065353 279121071 /nfs/dbraw/zinc/12/10/71/279121071.db2.gz AFCHFXMOEAZVTO-OKYOBFRVSA-N 3 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065353 279121072 /nfs/dbraw/zinc/12/10/72/279121072.db2.gz AFCHFXMOEAZVTO-OKYOBFRVSA-N 3 1 307.526 3.103 20 0 DGADMP Clc1ccccc1[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420301574 279296234 /nfs/dbraw/zinc/29/62/34/279296234.db2.gz LMIWWSQYMHJSHR-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420301574 279296235 /nfs/dbraw/zinc/29/62/35/279296235.db2.gz LMIWWSQYMHJSHR-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423331957 279298431 /nfs/dbraw/zinc/29/84/31/279298431.db2.gz QLCOQFGXLFBITI-MFKMUULPSA-N 2 1 305.422 3.263 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910224 279384066 /nfs/dbraw/zinc/38/40/66/279384066.db2.gz HQDSYWKQDKEDMI-OALUTQOASA-N 3 1 303.494 3.134 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000111380764 431215119 /nfs/dbraw/zinc/21/51/19/431215119.db2.gz VTKXQBVMEYEOAP-CYBMUJFWSA-N 2 1 302.340 3.289 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000073852576 431385572 /nfs/dbraw/zinc/38/55/72/431385572.db2.gz BNKGOUPILWNGOM-CQSZACIVSA-N 2 1 323.278 3.331 20 0 DGADMP CC[N@@H+](Cc1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155328 431530933 /nfs/dbraw/zinc/53/09/33/431530933.db2.gz LQHRDKGCNDNGSE-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP CC[N@H+](Cc1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155328 431530937 /nfs/dbraw/zinc/53/09/37/431530937.db2.gz LQHRDKGCNDNGSE-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155328 431530943 /nfs/dbraw/zinc/53/09/43/431530943.db2.gz LQHRDKGCNDNGSE-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155328 431530948 /nfs/dbraw/zinc/53/09/48/431530948.db2.gz LQHRDKGCNDNGSE-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP Cc1cnn(CCCCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000075861355 431502560 /nfs/dbraw/zinc/50/25/60/431502560.db2.gz WFZKWPRSKJSZBP-GOSISDBHSA-N 2 1 306.498 3.168 20 0 DGADMP Cc1cnn(CCCCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000075861355 431502566 /nfs/dbraw/zinc/50/25/66/431502566.db2.gz WFZKWPRSKJSZBP-GOSISDBHSA-N 2 1 306.498 3.168 20 0 DGADMP Cc1cnn(CCCCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000075861355 431502577 /nfs/dbraw/zinc/50/25/77/431502577.db2.gz WFZKWPRSKJSZBP-GOSISDBHSA-N 2 1 306.498 3.168 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccn1CCC(C)C ZINC000119070175 431642844 /nfs/dbraw/zinc/64/28/44/431642844.db2.gz RORCWQSDIDSSHO-INIZCTEOSA-N 2 1 302.466 3.465 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081568509 431794693 /nfs/dbraw/zinc/79/46/93/431794693.db2.gz XFFFFEIOWLKNRA-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081568509 431794697 /nfs/dbraw/zinc/79/46/97/431794697.db2.gz XFFFFEIOWLKNRA-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081568509 431794702 /nfs/dbraw/zinc/79/47/02/431794702.db2.gz XFFFFEIOWLKNRA-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081568509 431794705 /nfs/dbraw/zinc/79/47/05/431794705.db2.gz XFFFFEIOWLKNRA-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC000081635117 431799925 /nfs/dbraw/zinc/79/99/25/431799925.db2.gz SGUXXQNFKCEOHI-GOSISDBHSA-N 2 1 302.462 3.119 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000081635117 431799932 /nfs/dbraw/zinc/79/99/32/431799932.db2.gz SGUXXQNFKCEOHI-GOSISDBHSA-N 2 1 302.462 3.119 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000081635117 431799940 /nfs/dbraw/zinc/79/99/40/431799940.db2.gz SGUXXQNFKCEOHI-GOSISDBHSA-N 2 1 302.462 3.119 20 0 DGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000037213709 431844825 /nfs/dbraw/zinc/84/48/25/431844825.db2.gz KOKCAYQQSVMQOQ-JTQLQIEISA-N 2 1 303.219 3.191 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000037643860 431848910 /nfs/dbraw/zinc/84/89/10/431848910.db2.gz PJBLYZNIBOLKIL-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000037643860 431848912 /nfs/dbraw/zinc/84/89/12/431848912.db2.gz PJBLYZNIBOLKIL-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000122973473 431850527 /nfs/dbraw/zinc/85/05/27/431850527.db2.gz LVUXUDZSBGENBZ-OAHLLOKOSA-N 2 1 318.461 3.373 20 0 DGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269240 431862910 /nfs/dbraw/zinc/86/29/10/431862910.db2.gz NVNAYFBKLMMWGF-KRWDZBQOSA-N 2 1 303.494 3.014 20 0 DGADMP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000123531200 431867629 /nfs/dbraw/zinc/86/76/29/431867629.db2.gz FHSQWPADPNTWRF-IBGZPJMESA-N 2 1 302.462 3.107 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000089516746 431868974 /nfs/dbraw/zinc/86/89/74/431868974.db2.gz PNKLLRKLMLPXSP-CRAIPNDOSA-N 2 1 304.478 3.293 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543574 431870614 /nfs/dbraw/zinc/87/06/14/431870614.db2.gz KRQQTRYPCKBOSC-DVOMOZLQSA-N 2 1 312.404 3.149 20 0 DGADMP C[C@@H](CCc1ccco1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594098 431871261 /nfs/dbraw/zinc/87/12/61/431871261.db2.gz ZDZQJIPQAKGTDT-KRWDZBQOSA-N 2 1 320.477 3.225 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)[C@H](C)C1 ZINC000122318351 431826040 /nfs/dbraw/zinc/82/60/40/431826040.db2.gz URGPNJKGFGVQDV-VKJFTORMSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)[C@H](C)C1 ZINC000122318351 431826045 /nfs/dbraw/zinc/82/60/45/431826045.db2.gz URGPNJKGFGVQDV-VKJFTORMSA-N 2 1 323.456 3.008 20 0 DGADMP Brc1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000094021356 431918926 /nfs/dbraw/zinc/91/89/26/431918926.db2.gz IHSXEUWUJJFFNM-UHFFFAOYSA-N 2 1 323.278 3.413 20 0 DGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000094970030 431920840 /nfs/dbraw/zinc/92/08/40/431920840.db2.gz OLUXIQMUXPCXIE-CQSZACIVSA-N 2 1 307.507 3.405 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000125436501 431925132 /nfs/dbraw/zinc/92/51/32/431925132.db2.gz MSDUCGWNFNMHCY-KURKYZTESA-N 2 1 301.478 3.036 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000125436501 431925135 /nfs/dbraw/zinc/92/51/35/431925135.db2.gz MSDUCGWNFNMHCY-KURKYZTESA-N 2 1 301.478 3.036 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000044535310 431875001 /nfs/dbraw/zinc/87/50/01/431875001.db2.gz FZMZKSQXMAQYMH-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000125450359 431925579 /nfs/dbraw/zinc/92/55/79/431925579.db2.gz NSOKSTVRTUTNLP-RDJZCZTQSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCN1C ZINC000125450359 431925583 /nfs/dbraw/zinc/92/55/83/431925583.db2.gz NSOKSTVRTUTNLP-RDJZCZTQSA-N 2 1 321.534 3.032 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124365963 431891490 /nfs/dbraw/zinc/89/14/90/431891490.db2.gz RCRQIVUMZGBZNA-STQMWFEESA-N 2 1 310.388 3.423 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124365963 431891492 /nfs/dbraw/zinc/89/14/92/431891492.db2.gz RCRQIVUMZGBZNA-STQMWFEESA-N 2 1 310.388 3.423 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000090586638 431893230 /nfs/dbraw/zinc/89/32/30/431893230.db2.gz DSKQGOPEXKCKMW-HOTGVXAUSA-N 2 1 318.461 3.434 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000090909533 431897261 /nfs/dbraw/zinc/89/72/61/431897261.db2.gz DSJOEAYCSSEYEZ-FRQCXROJSA-N 2 1 304.478 3.194 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000090919207 431897411 /nfs/dbraw/zinc/89/74/11/431897411.db2.gz ISKFHBHFKYTFQV-PBFPGSCMSA-N 2 1 308.416 3.315 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091321138 431903765 /nfs/dbraw/zinc/90/37/65/431903765.db2.gz IMSNWEVVKFINPP-KGLIPLIRSA-N 2 1 311.433 3.065 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(C)c2)C1 ZINC000091469560 431905085 /nfs/dbraw/zinc/90/50/85/431905085.db2.gz XGXOEEIPMJBBLJ-CQSZACIVSA-N 2 1 311.267 3.189 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000125865482 431937541 /nfs/dbraw/zinc/93/75/41/431937541.db2.gz LVBKPURIHKLQEJ-JKSUJKDBSA-N 2 1 318.461 3.229 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(Br)cs1 ZINC000051919489 431953371 /nfs/dbraw/zinc/95/33/71/431953371.db2.gz LJPCRPLIKFZTMV-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000098150335 431980651 /nfs/dbraw/zinc/98/06/51/431980651.db2.gz MKCUXLHPVTYZCS-SJLPKXTDSA-N 2 1 322.880 3.010 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(COC)o2)c1 ZINC000127360122 431970170 /nfs/dbraw/zinc/97/01/70/431970170.db2.gz CHLIOYKGTZJYBC-UHFFFAOYSA-N 2 1 302.418 3.168 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423121825 281095856 /nfs/dbraw/zinc/09/58/56/281095856.db2.gz JCMJNRXKDJKBLR-OJAHFUOMSA-N 2 1 314.473 3.119 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128381538 431993248 /nfs/dbraw/zinc/99/32/48/431993248.db2.gz IVSWDUBQNAYXHH-FQEVSTJZSA-N 2 1 317.521 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@H]1CCC[NH+]1C ZINC000248132114 432270563 /nfs/dbraw/zinc/27/05/63/432270563.db2.gz WRJHHZHLEOOSIV-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000248132114 432270567 /nfs/dbraw/zinc/27/05/67/432270567.db2.gz WRJHHZHLEOOSIV-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@H]1CCC[N@H+]1C ZINC000248132114 432270569 /nfs/dbraw/zinc/27/05/69/432270569.db2.gz WRJHHZHLEOOSIV-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000191498718 432271563 /nfs/dbraw/zinc/27/15/63/432271563.db2.gz ZBHGEDDNWIPBMP-UHFFFAOYSA-N 2 1 319.424 3.376 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000191498718 432271567 /nfs/dbraw/zinc/27/15/67/432271567.db2.gz ZBHGEDDNWIPBMP-UHFFFAOYSA-N 2 1 319.424 3.376 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC)c1 ZINC000191499329 432271579 /nfs/dbraw/zinc/27/15/79/432271579.db2.gz XQYQFIPYUHHOTJ-UHFFFAOYSA-N 2 1 301.434 3.366 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC)c1 ZINC000191499329 432271582 /nfs/dbraw/zinc/27/15/82/432271582.db2.gz XQYQFIPYUHHOTJ-UHFFFAOYSA-N 2 1 301.434 3.366 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2ccccn12 ZINC000191506930 432273366 /nfs/dbraw/zinc/27/33/66/432273366.db2.gz NPGGZXUWSVWOLK-UHFFFAOYSA-N 2 1 311.433 3.005 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2ccccn12 ZINC000191506930 432273369 /nfs/dbraw/zinc/27/33/69/432273369.db2.gz NPGGZXUWSVWOLK-UHFFFAOYSA-N 2 1 311.433 3.005 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000151767916 432275841 /nfs/dbraw/zinc/27/58/41/432275841.db2.gz GIBZUDDAPNAXSE-CYBMUJFWSA-N 2 1 312.392 3.305 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC)[C@H](C)C1 ZINC000248199390 432275903 /nfs/dbraw/zinc/27/59/03/432275903.db2.gz YCUJALOTCKCSJX-XLIONFOSSA-N 2 1 318.505 3.476 20 0 DGADMP Cc1ccc(C)n1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000270691954 432276597 /nfs/dbraw/zinc/27/65/97/432276597.db2.gz WIMSCCQWQMKSCR-UHFFFAOYSA-N 2 1 300.450 3.337 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H]1C ZINC000248404768 432287530 /nfs/dbraw/zinc/28/75/30/432287530.db2.gz QROARBKZXREMFC-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248431021 432290273 /nfs/dbraw/zinc/29/02/73/432290273.db2.gz CABFLIMDCPWDQE-YLJYHZDGSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccoc1 ZINC000248433557 432290723 /nfs/dbraw/zinc/29/07/23/432290723.db2.gz DFABEGVZMFZTIN-BEFAXECRSA-N 2 1 314.429 3.087 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248457113 432294553 /nfs/dbraw/zinc/29/45/53/432294553.db2.gz SUHIMECWQQQNJV-LAUBAEHRSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000128645955 431997487 /nfs/dbraw/zinc/99/74/87/431997487.db2.gz BPMFAEOGSZMIJP-INIZCTEOSA-N 2 1 315.461 3.111 20 0 DGADMP COC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248005433 432262344 /nfs/dbraw/zinc/26/23/44/432262344.db2.gz KULRNZIGTFAKTF-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248005433 432262351 /nfs/dbraw/zinc/26/23/51/432262351.db2.gz KULRNZIGTFAKTF-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248005433 432262356 /nfs/dbraw/zinc/26/23/56/432262356.db2.gz KULRNZIGTFAKTF-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193752 432267091 /nfs/dbraw/zinc/26/70/91/432267091.db2.gz IBSARLPISGJQGP-HDMKZQKVSA-N 2 1 316.493 3.040 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000191488302 432268302 /nfs/dbraw/zinc/26/83/02/432268302.db2.gz DDBGICRIRRQUOF-SFHVURJKSA-N 2 1 315.461 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000191488302 432268307 /nfs/dbraw/zinc/26/83/07/432268307.db2.gz DDBGICRIRRQUOF-SFHVURJKSA-N 2 1 315.461 3.200 20 0 DGADMP CC[NH+](CC)CCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000191477625 432268606 /nfs/dbraw/zinc/26/86/06/432268606.db2.gz DXWNGJHRLKEWGY-XYOKQWHBSA-N 2 1 315.505 3.049 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248763150 432317980 /nfs/dbraw/zinc/31/79/80/432317980.db2.gz DWUUCYOLNSLOCC-LDLYASANSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)CC2=Cc3ccccc3OC2)CC1 ZINC000271038494 432320847 /nfs/dbraw/zinc/32/08/47/432320847.db2.gz KZXCSGXBPGTLRX-UHFFFAOYSA-N 2 1 300.446 3.267 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2=Cc3ccccc3OC2)CC1 ZINC000271038494 432320849 /nfs/dbraw/zinc/32/08/49/432320849.db2.gz KZXCSGXBPGTLRX-UHFFFAOYSA-N 2 1 300.446 3.267 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC[C@H]21 ZINC000248878405 432325947 /nfs/dbraw/zinc/32/59/47/432325947.db2.gz WIBTWGSZDJGFOE-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CC[C@H]21 ZINC000248878405 432325951 /nfs/dbraw/zinc/32/59/51/432325951.db2.gz WIBTWGSZDJGFOE-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CC[C@H]21 ZINC000248878405 432325957 /nfs/dbraw/zinc/32/59/57/432325957.db2.gz WIBTWGSZDJGFOE-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248902705 432327478 /nfs/dbraw/zinc/32/74/78/432327478.db2.gz XLIGJTQCCNJEEQ-IRXDYDNUSA-N 2 1 314.473 3.333 20 0 DGADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000248979850 432332671 /nfs/dbraw/zinc/33/26/71/432332671.db2.gz VCTWIEFBCUBHEF-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000248979850 432332676 /nfs/dbraw/zinc/33/26/76/432332676.db2.gz VCTWIEFBCUBHEF-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000248979850 432332679 /nfs/dbraw/zinc/33/26/79/432332679.db2.gz VCTWIEFBCUBHEF-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152447825 432334026 /nfs/dbraw/zinc/33/40/26/432334026.db2.gz FEESBLHSVOGZOX-OAGGEKHMSA-N 2 1 302.462 3.261 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCOC[C@@H]3C)cc2)C1 ZINC000249085323 432338649 /nfs/dbraw/zinc/33/86/49/432338649.db2.gz IPOJLJJWLBTSEX-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP FC(F)OCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000249286227 432345081 /nfs/dbraw/zinc/34/50/81/432345081.db2.gz OFZNRJSFANXWQQ-IXDOHACOSA-N 2 1 324.415 3.116 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248629536 432307686 /nfs/dbraw/zinc/30/76/86/432307686.db2.gz HGDBVBRMILUEMP-DJIMGWMZSA-N 2 1 302.462 3.187 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000270965988 432309089 /nfs/dbraw/zinc/30/90/89/432309089.db2.gz BTTPOKVRXPBQTM-MAUKXSAKSA-N 2 1 312.461 3.195 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000270965996 432309133 /nfs/dbraw/zinc/30/91/33/432309133.db2.gz BTTPOKVRXPBQTM-YJBOKZPZSA-N 2 1 312.461 3.195 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192476407 432378695 /nfs/dbraw/zinc/37/86/95/432378695.db2.gz LCFUYPYFRYUIPA-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346918 432379126 /nfs/dbraw/zinc/37/91/26/432379126.db2.gz XXFGHBXSFQZWCK-CABCVRRESA-N 2 1 306.475 3.270 20 0 DGADMP CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346918 432379131 /nfs/dbraw/zinc/37/91/31/432379131.db2.gz XXFGHBXSFQZWCK-CABCVRRESA-N 2 1 306.475 3.270 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000153089480 432383653 /nfs/dbraw/zinc/38/36/53/432383653.db2.gz SINPPHHPZODCCE-NBYUQASBSA-N 2 1 316.489 3.393 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000253185842 432388453 /nfs/dbraw/zinc/38/84/53/432388453.db2.gz IMDOQJBUFSSHBG-WCQYABFASA-N 2 1 302.340 3.002 20 0 DGADMP OC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000192592132 432390745 /nfs/dbraw/zinc/39/07/45/432390745.db2.gz BFYHRLFLDDCUGZ-PFNPZRIDSA-N 2 1 314.473 3.075 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@@H]2CCCOC2)C3)cc1 ZINC000192708503 432404026 /nfs/dbraw/zinc/40/40/26/432404026.db2.gz DQSCUJUFICWLRN-UMQXSMKFSA-N 2 1 314.473 3.198 20 0 DGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000250112688 432364273 /nfs/dbraw/zinc/36/42/73/432364273.db2.gz TWQCFZRXVFRMQL-VQTJNVASSA-N 2 1 318.505 3.080 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000271888508 432428969 /nfs/dbraw/zinc/42/89/69/432428969.db2.gz RIAUOEDVNUPOIJ-MRXNPFEDSA-N 2 1 321.262 3.288 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261547324 432429925 /nfs/dbraw/zinc/42/99/25/432429925.db2.gz MCQRELBOVIQEAK-FQEVSTJZSA-N 2 1 310.441 3.436 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261540835 432430762 /nfs/dbraw/zinc/43/07/62/432430762.db2.gz FIQYLEZJZHJYQS-JXFKEZNVSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000261540837 432431068 /nfs/dbraw/zinc/43/10/68/432431068.db2.gz FIQYLEZJZHJYQS-OXQOHEQNSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261556674 432431672 /nfs/dbraw/zinc/43/16/72/432431672.db2.gz CDIYKRGIIPZAGZ-NDPMZMCLSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000261540838 432431797 /nfs/dbraw/zinc/43/17/97/432431797.db2.gz FIQYLEZJZHJYQS-UZLBHIALSA-N 2 1 310.441 3.435 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000261642320 432437726 /nfs/dbraw/zinc/43/77/26/432437726.db2.gz AJDPPDCPTIYLOX-QGZVFWFLSA-N 2 1 324.472 3.410 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1F ZINC000153734456 432438189 /nfs/dbraw/zinc/43/81/89/432438189.db2.gz OZQQIPMJUGCPMV-ZDUSSCGKSA-N 2 1 317.408 3.225 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193085711 432447913 /nfs/dbraw/zinc/44/79/13/432447913.db2.gz YXEZEMWCEFGUQV-LBPRGKRZSA-N 2 1 316.430 3.334 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261801913 432451314 /nfs/dbraw/zinc/45/13/14/432451314.db2.gz GYQSCMFTIODCNG-OAHLLOKOSA-N 2 1 318.490 3.113 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000153892786 432454271 /nfs/dbraw/zinc/45/42/71/432454271.db2.gz ZJKFTXUGUPZOQJ-INIZCTEOSA-N 2 1 318.461 3.025 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000153892786 432454276 /nfs/dbraw/zinc/45/42/76/432454276.db2.gz ZJKFTXUGUPZOQJ-INIZCTEOSA-N 2 1 318.461 3.025 20 0 DGADMP CC1CC[NH+](CCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000153930584 432457264 /nfs/dbraw/zinc/45/72/64/432457264.db2.gz HWHMMBAVUZFGNB-PMACEKPBSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1nc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259817 432472194 /nfs/dbraw/zinc/47/21/94/432472194.db2.gz ZWKMNPRFGAFIEN-PBHICJAKSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1nc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259819 432472406 /nfs/dbraw/zinc/47/24/06/432472406.db2.gz ZWKMNPRFGAFIEN-WMLDXEAASA-N 2 1 315.486 3.452 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000262089275 432473212 /nfs/dbraw/zinc/47/32/12/432473212.db2.gz UQHHRPRMBOCAEF-AWEZNQCLSA-N 2 1 322.522 3.202 20 0 DGADMP CCC[C@@](C)([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000262095461 432474038 /nfs/dbraw/zinc/47/40/38/432474038.db2.gz BOHVVBJHOYHFGA-QFBILLFUSA-N 2 1 323.525 3.007 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)CC[N@H+]1C ZINC000154185469 432479404 /nfs/dbraw/zinc/47/94/04/432479404.db2.gz ZVZNOSUYXWSDAH-GHMZBOCLSA-N 2 1 317.296 3.125 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]21 ZINC000262572436 432492013 /nfs/dbraw/zinc/49/20/13/432492013.db2.gz XPYWZWRAGZSHBJ-VHDGCEQUSA-N 2 1 314.351 3.144 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000154462699 432499046 /nfs/dbraw/zinc/49/90/46/432499046.db2.gz CIKKBWKHCXQRFP-IBGZPJMESA-N 2 1 317.521 3.372 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000154480908 432501532 /nfs/dbraw/zinc/50/15/32/432501532.db2.gz XMWNVKVNSNGMJW-LJQANCHMSA-N 2 1 317.521 3.372 20 0 DGADMP Oc1cc(F)cc(CNCc2cccc(Cn3ccnc3)c2)c1 ZINC000185463479 432501750 /nfs/dbraw/zinc/50/17/50/432501750.db2.gz FKEGRXMPJSIQOE-UHFFFAOYSA-N 2 1 311.360 3.066 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000185468512 432503984 /nfs/dbraw/zinc/50/39/84/432503984.db2.gz PIQCJQZODXSSTO-GASCZTMLSA-N 2 1 308.441 3.379 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206543 432461597 /nfs/dbraw/zinc/46/15/97/432461597.db2.gz PKUITMKQONLHHE-QFBILLFUSA-N 2 1 310.441 3.392 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCCCCO)CC1 ZINC000175758393 432461601 /nfs/dbraw/zinc/46/16/01/432461601.db2.gz KHRUFSLOFFSWLF-UHFFFAOYSA-N 2 1 318.505 3.383 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC000261926903 432462280 /nfs/dbraw/zinc/46/22/80/432462280.db2.gz SIQIXHMNZSBXDK-JVPBZIDWSA-N 2 1 310.441 3.408 20 0 DGADMP CC[N@@H+](CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C)C1CC1 ZINC000154009405 432463348 /nfs/dbraw/zinc/46/33/48/432463348.db2.gz MNFVEGSLWYEEDE-UHFFFAOYSA-N 2 1 315.461 3.014 20 0 DGADMP CCCc1csc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261971753 432466401 /nfs/dbraw/zinc/46/64/01/432466401.db2.gz QHLBWMZBHURIKH-WBVHZDCISA-N 2 1 315.486 3.270 20 0 DGADMP CCCc1csc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261971753 432466405 /nfs/dbraw/zinc/46/64/05/432466405.db2.gz QHLBWMZBHURIKH-WBVHZDCISA-N 2 1 315.486 3.270 20 0 DGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262028100 432469956 /nfs/dbraw/zinc/46/99/56/432469956.db2.gz WWBMCFGTUGZNTF-JKSUJKDBSA-N 2 1 322.880 3.430 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1C ZINC000273097181 432549648 /nfs/dbraw/zinc/54/96/48/432549648.db2.gz TXBVQJNWKORXFU-ZFWWWQNUSA-N 2 1 301.434 3.495 20 0 DGADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000273133470 432554504 /nfs/dbraw/zinc/55/45/04/432554504.db2.gz BOZNJRUXKIZTPH-IBGZPJMESA-N 2 1 311.404 3.162 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000273133470 432554510 /nfs/dbraw/zinc/55/45/10/432554510.db2.gz BOZNJRUXKIZTPH-IBGZPJMESA-N 2 1 311.404 3.162 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273138602 432557109 /nfs/dbraw/zinc/55/71/09/432557109.db2.gz DIGDDISTQZVLBH-MRXNPFEDSA-N 2 1 320.477 3.073 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000154779792 432521110 /nfs/dbraw/zinc/52/11/10/432521110.db2.gz OEMHQIHDTKGIDJ-RDJZCZTQSA-N 2 1 317.477 3.244 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000154779792 432521115 /nfs/dbraw/zinc/52/11/15/432521115.db2.gz OEMHQIHDTKGIDJ-RDJZCZTQSA-N 2 1 317.477 3.244 20 0 DGADMP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154845743 432525425 /nfs/dbraw/zinc/52/54/25/432525425.db2.gz OKVHOVHFGMEFPM-LJQANCHMSA-N 2 1 304.478 3.401 20 0 DGADMP C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734268 432529112 /nfs/dbraw/zinc/52/91/12/432529112.db2.gz ZGUODPDRSMQCGO-DLBZAZTESA-N 2 1 302.462 3.308 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000195133193 432606794 /nfs/dbraw/zinc/60/67/94/432606794.db2.gz JTQNKJKKZFYTGY-FXAWDEMLSA-N 2 1 324.468 3.352 20 0 DGADMP CCC[N@@H+](CC)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000156785514 432608533 /nfs/dbraw/zinc/60/85/33/432608533.db2.gz UWXAAMDKJQBKFW-UHFFFAOYSA-N 2 1 317.521 3.015 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000186573572 432609030 /nfs/dbraw/zinc/60/90/30/432609030.db2.gz KHEUYPWTERRJMO-SXLOBPIMSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000186573572 432609033 /nfs/dbraw/zinc/60/90/33/432609033.db2.gz KHEUYPWTERRJMO-SXLOBPIMSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000186573572 432609034 /nfs/dbraw/zinc/60/90/34/432609034.db2.gz KHEUYPWTERRJMO-SXLOBPIMSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000186573572 432609035 /nfs/dbraw/zinc/60/90/35/432609035.db2.gz KHEUYPWTERRJMO-SXLOBPIMSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617335 432613900 /nfs/dbraw/zinc/61/39/00/432613900.db2.gz ZVUZGDQRIKICRS-XHBSWPGZSA-N 2 1 308.853 3.093 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617335 432613901 /nfs/dbraw/zinc/61/39/01/432613901.db2.gz ZVUZGDQRIKICRS-XHBSWPGZSA-N 2 1 308.853 3.093 20 0 DGADMP CCCOc1cccc2c(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ccnc12 ZINC000194749189 432573169 /nfs/dbraw/zinc/57/31/69/432573169.db2.gz KNNIJIVHKUHCGG-GASCZTMLSA-N 2 1 311.429 3.021 20 0 DGADMP C[C@@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396901 432590631 /nfs/dbraw/zinc/59/06/31/432590631.db2.gz UMQONUUTYKARMM-CJNGLKHVSA-N 2 1 316.445 3.047 20 0 DGADMP C[C@@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396901 432590635 /nfs/dbraw/zinc/59/06/35/432590635.db2.gz UMQONUUTYKARMM-CJNGLKHVSA-N 2 1 316.445 3.047 20 0 DGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000177149197 432590876 /nfs/dbraw/zinc/59/08/76/432590876.db2.gz JTZMQHVKKDDNQZ-OAHLLOKOSA-N 2 1 304.397 3.387 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000195316217 432619250 /nfs/dbraw/zinc/61/92/50/432619250.db2.gz WSPDWKQVMSAXSF-UHFFFAOYSA-N 2 1 317.477 3.341 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000157696258 432626107 /nfs/dbraw/zinc/62/61/07/432626107.db2.gz VFGNTYHFDRAJRQ-QGZVFWFLSA-N 2 1 315.505 3.449 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158084792 432636734 /nfs/dbraw/zinc/63/67/34/432636734.db2.gz MLNXSAKDOQCLIO-PHAGKYIGSA-N 2 1 302.462 3.225 20 0 DGADMP COc1ccnc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000274222702 432640051 /nfs/dbraw/zinc/64/00/51/432640051.db2.gz ZGQCYZQOSVZQFP-AWEZNQCLSA-N 2 1 317.458 3.031 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000158203739 432640532 /nfs/dbraw/zinc/64/05/32/432640532.db2.gz DYRRMHGIIKISKT-DOTOQJQBSA-N 2 1 300.446 3.364 20 0 DGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158227816 432640672 /nfs/dbraw/zinc/64/06/72/432640672.db2.gz YYQLGFDGAWGMJE-SJLPKXTDSA-N 2 1 302.462 3.449 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000274267086 432645097 /nfs/dbraw/zinc/64/50/97/432645097.db2.gz WAENIWMQSFTXOB-KSSFIOAISA-N 2 1 308.441 3.364 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(C)c1 ZINC000158584056 432652122 /nfs/dbraw/zinc/65/21/22/432652122.db2.gz AKKPIQXBCIYILI-JENIJYKNSA-N 2 1 303.494 3.140 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000178188327 432704219 /nfs/dbraw/zinc/70/42/19/432704219.db2.gz XOFDSSJGFUSIJA-DTDBQYNISA-N 2 1 323.912 3.261 20 0 DGADMP Brc1c[nH+]ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000274775653 432706354 /nfs/dbraw/zinc/70/63/54/432706354.db2.gz CFOYKRJIKLVEKU-UHFFFAOYSA-N 2 1 310.239 3.130 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178224604 432708802 /nfs/dbraw/zinc/70/88/02/432708802.db2.gz ZEFKHLHSHGHJOS-HZPDHXFCSA-N 2 1 314.477 3.290 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178224604 432708807 /nfs/dbraw/zinc/70/88/07/432708807.db2.gz ZEFKHLHSHGHJOS-HZPDHXFCSA-N 2 1 314.477 3.290 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3Br)C[C@H]21 ZINC000228475019 432719733 /nfs/dbraw/zinc/71/97/33/432719733.db2.gz CBEMFRYXCQZYNI-NJZAAPMLSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]21 ZINC000230048143 432724168 /nfs/dbraw/zinc/72/41/68/432724168.db2.gz RVZFHJTVHQKLOT-TUKIKUTGSA-N 2 1 319.499 3.431 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]21 ZINC000230048143 432724173 /nfs/dbraw/zinc/72/41/73/432724173.db2.gz RVZFHJTVHQKLOT-TUKIKUTGSA-N 2 1 319.499 3.431 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1OC ZINC000159206061 432673913 /nfs/dbraw/zinc/67/39/13/432673913.db2.gz PAUZKNSTZSTONK-SFHVURJKSA-N 2 1 320.477 3.237 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000159273466 432678327 /nfs/dbraw/zinc/67/83/27/432678327.db2.gz RGDUSTVXWFASON-ZDUSSCGKSA-N 2 1 315.461 3.051 20 0 DGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036091 432686990 /nfs/dbraw/zinc/68/69/90/432686990.db2.gz AGGOMNFWYCTCPI-LJCCNALRSA-N 2 1 316.489 3.399 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000275772402 432747448 /nfs/dbraw/zinc/74/74/48/432747448.db2.gz VEIYNCUTMALOCZ-HNNXBMFYSA-N 2 1 312.461 3.316 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000236196505 432748382 /nfs/dbraw/zinc/74/83/82/432748382.db2.gz UHSSINJWXYCZOP-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000178696572 432768517 /nfs/dbraw/zinc/76/85/17/432768517.db2.gz BXLKNNXYTJNEMT-KGLIPLIRSA-N 2 1 317.433 3.196 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275499492 432727485 /nfs/dbraw/zinc/72/74/85/432727485.db2.gz MAWFRAJDKPTPEC-AQNXPRMDSA-N 2 1 316.489 3.149 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CCOCC2)CC1 ZINC000178388993 432730210 /nfs/dbraw/zinc/73/02/10/432730210.db2.gz YNSSIWJXWPFZQO-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1SC ZINC000275578001 432731399 /nfs/dbraw/zinc/73/13/99/432731399.db2.gz ITYPSLUNEUNFAO-ZFWWWQNUSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1SC ZINC000275578001 432731402 /nfs/dbraw/zinc/73/14/02/432731402.db2.gz ITYPSLUNEUNFAO-ZFWWWQNUSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1SC ZINC000275578001 432731405 /nfs/dbraw/zinc/73/14/05/432731405.db2.gz ITYPSLUNEUNFAO-ZFWWWQNUSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1SC ZINC000275578001 432731409 /nfs/dbraw/zinc/73/14/09/432731409.db2.gz ITYPSLUNEUNFAO-ZFWWWQNUSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1SC ZINC000275577998 432731512 /nfs/dbraw/zinc/73/15/12/432731512.db2.gz ITYPSLUNEUNFAO-HIFRSBDPSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1SC ZINC000275577998 432731518 /nfs/dbraw/zinc/73/15/18/432731518.db2.gz ITYPSLUNEUNFAO-HIFRSBDPSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1SC ZINC000275577998 432731522 /nfs/dbraw/zinc/73/15/22/432731522.db2.gz ITYPSLUNEUNFAO-HIFRSBDPSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1SC ZINC000275577998 432731528 /nfs/dbraw/zinc/73/15/28/432731528.db2.gz ITYPSLUNEUNFAO-HIFRSBDPSA-N 2 1 308.491 3.189 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231461261 432732731 /nfs/dbraw/zinc/73/27/31/432732731.db2.gz PMWAPJYNCPQTGX-CYBMUJFWSA-N 2 1 302.340 3.159 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cc(Br)cs2)CC[NH2+]1 ZINC000235723893 432743758 /nfs/dbraw/zinc/74/37/58/432743758.db2.gz ALKNEJOQBLXJNR-WDEREUQCSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000235723918 432744618 /nfs/dbraw/zinc/74/46/18/432744618.db2.gz CEBCBAILGBIBCV-GXTWGEPZSA-N 2 1 311.267 3.269 20 0 DGADMP Cc1[nH+]ccn1CCN1CCc2cc(Br)ccc2C1 ZINC000276802102 432826148 /nfs/dbraw/zinc/82/61/48/432826148.db2.gz MKXUFLVKUBSQGT-UHFFFAOYSA-N 2 1 320.234 3.012 20 0 DGADMP C[N@H+](CC(=O)Nc1ccc(-c2ncc[nH]2)cc1)Cc1ccccc1 ZINC000162854647 432836428 /nfs/dbraw/zinc/83/64/28/432836428.db2.gz IQLHENAVXISMEW-UHFFFAOYSA-N 2 1 320.396 3.147 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916327 432837724 /nfs/dbraw/zinc/83/77/24/432837724.db2.gz OXBXNBMPVKECLD-HLIPFELVSA-N 3 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916327 432837727 /nfs/dbraw/zinc/83/77/27/432837727.db2.gz OXBXNBMPVKECLD-HLIPFELVSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916327 432837730 /nfs/dbraw/zinc/83/77/30/432837730.db2.gz OXBXNBMPVKECLD-HLIPFELVSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916327 432837732 /nfs/dbraw/zinc/83/77/32/432837732.db2.gz OXBXNBMPVKECLD-HLIPFELVSA-N 2 1 315.505 3.101 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccc(C)cc2)[C@H](C)C1 ZINC000161525248 432783833 /nfs/dbraw/zinc/78/38/33/432783833.db2.gz RWDOUODMCWVOCP-IEBWSBKVSA-N 2 1 304.478 3.474 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000161641361 432789002 /nfs/dbraw/zinc/78/90/02/432789002.db2.gz CBLWNHFJWOQEMW-AWEZNQCLSA-N 2 1 307.457 3.417 20 0 DGADMP O[C@@H](C[C@@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178977125 432792929 /nfs/dbraw/zinc/79/29/29/432792929.db2.gz GFSQQNNHYKZJGM-PMACEKPBSA-N 2 1 316.489 3.354 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000161712747 432793332 /nfs/dbraw/zinc/79/33/32/432793332.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161712747 432793333 /nfs/dbraw/zinc/79/33/33/432793333.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000161712747 432793336 /nfs/dbraw/zinc/79/33/36/432793336.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000161712747 432793340 /nfs/dbraw/zinc/79/33/40/432793340.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000161712747 432793345 /nfs/dbraw/zinc/79/33/45/432793345.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000161712747 432793348 /nfs/dbraw/zinc/79/33/48/432793348.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000161712747 432793352 /nfs/dbraw/zinc/79/33/52/432793352.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161712747 432793355 /nfs/dbraw/zinc/79/33/55/432793355.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000161712747 432793359 /nfs/dbraw/zinc/79/33/59/432793359.db2.gz HEDUSSCSEUPDRE-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178979745 432794251 /nfs/dbraw/zinc/79/42/51/432794251.db2.gz OZLGZNMMRQEMFI-GOSISDBHSA-N 2 1 312.461 3.193 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719708 432794878 /nfs/dbraw/zinc/79/48/78/432794878.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719708 432794879 /nfs/dbraw/zinc/79/48/79/432794879.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719708 432794883 /nfs/dbraw/zinc/79/48/83/432794883.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719708 432794884 /nfs/dbraw/zinc/79/48/84/432794884.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719708 432794886 /nfs/dbraw/zinc/79/48/86/432794886.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719708 432794889 /nfs/dbraw/zinc/79/48/89/432794889.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719708 432794893 /nfs/dbraw/zinc/79/48/93/432794893.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000161719708 432794896 /nfs/dbraw/zinc/79/48/96/432794896.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000161719708 432794898 /nfs/dbraw/zinc/79/48/98/432794898.db2.gz ACUZSUAIZGGKCV-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc([S@](C)=O)cc1 ZINC000161783495 432798146 /nfs/dbraw/zinc/79/81/46/432798146.db2.gz XANYBDVEVLQEOS-KSFYIVLOSA-N 2 1 322.518 3.197 20 0 DGADMP c1ccc(N[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161936514 432805010 /nfs/dbraw/zinc/80/50/10/432805010.db2.gz STIOTXMIFDMRKY-LJQANCHMSA-N 2 1 301.478 3.439 20 0 DGADMP c1ccc(N[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161936514 432805013 /nfs/dbraw/zinc/80/50/13/432805013.db2.gz STIOTXMIFDMRKY-LJQANCHMSA-N 2 1 301.478 3.439 20 0 DGADMP [NH3+]CCCCCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237972136 432806884 /nfs/dbraw/zinc/80/68/84/432806884.db2.gz JCDZIFZLJSNTAY-UHFFFAOYSA-N 2 1 323.525 3.010 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000162066712 432809862 /nfs/dbraw/zinc/80/98/62/432809862.db2.gz DCQFBMIRFZHEEI-SFHVURJKSA-N 2 1 301.434 3.027 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000162066712 432809866 /nfs/dbraw/zinc/80/98/66/432809866.db2.gz DCQFBMIRFZHEEI-SFHVURJKSA-N 2 1 301.434 3.027 20 0 DGADMP CC[N@@H+](CC(=O)Nc1cccc2c1C[NH+](CC(C)C)C2)C1CC1 ZINC000162158082 432814226 /nfs/dbraw/zinc/81/42/26/432814226.db2.gz NXLWSCYUUCHIPL-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP CC[NH+](CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)C1CC1 ZINC000162158082 432814229 /nfs/dbraw/zinc/81/42/29/432814229.db2.gz NXLWSCYUUCHIPL-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP CC[NH+](CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)C1CC1 ZINC000162158082 432814232 /nfs/dbraw/zinc/81/42/32/432814232.db2.gz NXLWSCYUUCHIPL-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245847958 432865456 /nfs/dbraw/zinc/86/54/56/432865456.db2.gz FVDJDOMVVDYEFN-SJLPKXTDSA-N 2 1 304.478 3.198 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245854989 432866681 /nfs/dbraw/zinc/86/66/81/432866681.db2.gz GYSOSMCXQQGQPM-YYIAUSFCSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245854989 432866683 /nfs/dbraw/zinc/86/66/83/432866683.db2.gz GYSOSMCXQQGQPM-YYIAUSFCSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000245927765 432869900 /nfs/dbraw/zinc/86/99/00/432869900.db2.gz RUPBVURTMMHABF-FCGDIQPGSA-N 2 1 320.521 3.292 20 0 DGADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000277710870 432871488 /nfs/dbraw/zinc/87/14/88/432871488.db2.gz IOQZEDBODSJGRY-JKSUJKDBSA-N 2 1 308.441 3.020 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278417094 432895726 /nfs/dbraw/zinc/89/57/26/432895726.db2.gz FUNHYSAORJAGIU-ROUUACIJSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278417094 432895728 /nfs/dbraw/zinc/89/57/28/432895728.db2.gz FUNHYSAORJAGIU-ROUUACIJSA-N 2 1 304.478 3.098 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H](C)C2 ZINC000246026945 432874386 /nfs/dbraw/zinc/87/43/86/432874386.db2.gz VPRKHFLAHMWTQV-XKGZKEIXSA-N 2 1 316.489 3.055 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)CCCO1 ZINC000277978908 432879984 /nfs/dbraw/zinc/87/99/84/432879984.db2.gz TWFLTVIOYQEBRQ-CYBMUJFWSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)CCCO1 ZINC000277978908 432879985 /nfs/dbraw/zinc/87/99/85/432879985.db2.gz TWFLTVIOYQEBRQ-CYBMUJFWSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000296207493 432883827 /nfs/dbraw/zinc/88/38/27/432883827.db2.gz ZOBBEUJMJPKDQI-GLJUWKHASA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000296207493 432883829 /nfs/dbraw/zinc/88/38/29/432883829.db2.gz ZOBBEUJMJPKDQI-GLJUWKHASA-N 2 1 308.416 3.484 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000163236064 432847371 /nfs/dbraw/zinc/84/73/71/432847371.db2.gz ANDNTVRQKLMBSN-XJKSGUPXSA-N 2 1 308.853 3.485 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596282 432847891 /nfs/dbraw/zinc/84/78/91/432847891.db2.gz HOZPEUKGCUURLC-WBVHZDCISA-N 2 1 316.445 3.079 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596282 432847892 /nfs/dbraw/zinc/84/78/92/432847892.db2.gz HOZPEUKGCUURLC-WBVHZDCISA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596282 432847895 /nfs/dbraw/zinc/84/78/95/432847895.db2.gz HOZPEUKGCUURLC-WBVHZDCISA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596282 432847897 /nfs/dbraw/zinc/84/78/97/432847897.db2.gz HOZPEUKGCUURLC-WBVHZDCISA-N 2 1 316.445 3.079 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000163279177 432848276 /nfs/dbraw/zinc/84/82/76/432848276.db2.gz YKUGPTYJVVTXKE-DOTOQJQBSA-N 2 1 300.446 3.364 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000163266070 432848570 /nfs/dbraw/zinc/84/85/70/432848570.db2.gz GZYVFWJTQKGGMV-DOTOQJQBSA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245638322 432851440 /nfs/dbraw/zinc/85/14/40/432851440.db2.gz AGSYAWVKIMNDNN-YSTOQKLRSA-N 2 1 316.489 3.179 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245630607 432852125 /nfs/dbraw/zinc/85/21/25/432852125.db2.gz PWUSXUVVCOQSMM-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245630607 432852128 /nfs/dbraw/zinc/85/21/28/432852128.db2.gz PWUSXUVVCOQSMM-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245630607 432852130 /nfs/dbraw/zinc/85/21/30/432852130.db2.gz PWUSXUVVCOQSMM-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000279038492 432927594 /nfs/dbraw/zinc/92/75/94/432927594.db2.gz WZMONPZVHYNAPT-STQMWFEESA-N 2 1 304.463 3.376 20 0 DGADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000289258374 432938819 /nfs/dbraw/zinc/93/88/19/432938819.db2.gz FOIDSWIWHJTEHP-XYPWUTKMSA-N 2 1 306.425 3.281 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000289258374 432938823 /nfs/dbraw/zinc/93/88/23/432938823.db2.gz FOIDSWIWHJTEHP-XYPWUTKMSA-N 2 1 306.425 3.281 20 0 DGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000289258374 432938824 /nfs/dbraw/zinc/93/88/24/432938824.db2.gz FOIDSWIWHJTEHP-XYPWUTKMSA-N 2 1 306.425 3.281 20 0 DGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000289258374 432938827 /nfs/dbraw/zinc/93/88/27/432938827.db2.gz FOIDSWIWHJTEHP-XYPWUTKMSA-N 2 1 306.425 3.281 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000279157729 432940474 /nfs/dbraw/zinc/94/04/74/432940474.db2.gz BDTGINRYLARSBE-ZWKOTPCHSA-N 2 1 302.462 3.289 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289330647 432945173 /nfs/dbraw/zinc/94/51/73/432945173.db2.gz VQKNCKMBGSKLDV-CJNGLKHVSA-N 2 1 306.425 3.143 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCc2cnccc2C)cn1 ZINC000289338206 432945719 /nfs/dbraw/zinc/94/57/19/432945719.db2.gz VUVDZKBVYCMZTC-UHFFFAOYSA-N 2 1 321.428 3.002 20 0 DGADMP C[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000278842566 432907001 /nfs/dbraw/zinc/90/70/01/432907001.db2.gz KDNVJEOZKCDFOY-KRWDZBQOSA-N 2 1 302.462 3.025 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000296487936 432914092 /nfs/dbraw/zinc/91/40/92/432914092.db2.gz PMSJKNDUFSSHCZ-QZTJIDSGSA-N 2 1 324.472 3.218 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000296487933 432914377 /nfs/dbraw/zinc/91/43/77/432914377.db2.gz PMSJKNDUFSSHCZ-MSOLQXFVSA-N 2 1 324.472 3.218 20 0 DGADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCC=CO3)CC2)n2c1CCCC2 ZINC000279475563 432973211 /nfs/dbraw/zinc/97/32/11/432973211.db2.gz SPOXQGQXSUXIQG-QGZVFWFLSA-N 2 1 301.434 3.092 20 0 DGADMP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000341138314 432974248 /nfs/dbraw/zinc/97/42/48/432974248.db2.gz SCZVQEVEVDYZKN-UHFFFAOYSA-N 2 1 312.461 3.004 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349599758 432979827 /nfs/dbraw/zinc/97/98/27/432979827.db2.gz OXAINKJHGUZXRC-LBPRGKRZSA-N 2 1 301.887 3.398 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000332246941 432989545 /nfs/dbraw/zinc/98/95/45/432989545.db2.gz BFAKFEJURMZRRC-KRWDZBQOSA-N 2 1 317.477 3.333 20 0 DGADMP Clc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000297317817 432992323 /nfs/dbraw/zinc/99/23/23/432992323.db2.gz CALVLTSQBPHKGI-INIZCTEOSA-N 2 1 319.880 3.135 20 0 DGADMP CCC[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000289382590 432952297 /nfs/dbraw/zinc/95/22/97/432952297.db2.gz CRMZGWJOWRRZTH-HXUWFJFHSA-N 2 1 317.521 3.140 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290158956 433003337 /nfs/dbraw/zinc/00/33/37/433003337.db2.gz LVUAVLMGEXKMCR-YZGWKJHDSA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297663892 433003406 /nfs/dbraw/zinc/00/34/06/433003406.db2.gz OBBBQLVSRFMRNR-INIZCTEOSA-N 2 1 314.473 3.332 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250254 433019860 /nfs/dbraw/zinc/01/98/60/433019860.db2.gz UENNFNDQIBBYMU-QWFCFKBJSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290250254 433019865 /nfs/dbraw/zinc/01/98/65/433019865.db2.gz UENNFNDQIBBYMU-QWFCFKBJSA-N 3 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250254 433019869 /nfs/dbraw/zinc/01/98/69/433019869.db2.gz UENNFNDQIBBYMU-QWFCFKBJSA-N 3 1 317.521 3.215 20 0 DGADMP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000290302994 433029214 /nfs/dbraw/zinc/02/92/14/433029214.db2.gz BLVFEIFHJMORSF-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000290302994 433029217 /nfs/dbraw/zinc/02/92/17/433029217.db2.gz BLVFEIFHJMORSF-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290346835 433035834 /nfs/dbraw/zinc/03/58/34/433035834.db2.gz FVDADGKOAALCOG-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290353178 433036169 /nfs/dbraw/zinc/03/61/69/433036169.db2.gz GFPOKRICVIYXPM-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290353178 433036175 /nfs/dbraw/zinc/03/61/75/433036175.db2.gz GFPOKRICVIYXPM-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000290353178 433036180 /nfs/dbraw/zinc/03/61/80/433036180.db2.gz GFPOKRICVIYXPM-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000290353178 433036183 /nfs/dbraw/zinc/03/61/83/433036183.db2.gz GFPOKRICVIYXPM-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000290361303 433039108 /nfs/dbraw/zinc/03/91/08/433039108.db2.gz GUXGQMZLCUCHCY-UHFFFAOYSA-N 2 1 303.454 3.135 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000290361303 433039113 /nfs/dbraw/zinc/03/91/13/433039113.db2.gz GUXGQMZLCUCHCY-UHFFFAOYSA-N 2 1 303.454 3.135 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425287 433050499 /nfs/dbraw/zinc/05/04/99/433050499.db2.gz LAYMWJDLJQJUJZ-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425287 433050505 /nfs/dbraw/zinc/05/05/05/433050505.db2.gz LAYMWJDLJQJUJZ-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425287 433050507 /nfs/dbraw/zinc/05/05/07/433050507.db2.gz LAYMWJDLJQJUJZ-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425287 433050509 /nfs/dbraw/zinc/05/05/09/433050509.db2.gz LAYMWJDLJQJUJZ-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425287 433050511 /nfs/dbraw/zinc/05/05/11/433050511.db2.gz LAYMWJDLJQJUJZ-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1OC ZINC000290419791 433048263 /nfs/dbraw/zinc/04/82/63/433048263.db2.gz KOUSOAHYYNNDTQ-MAUKXSAKSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290419791 433048269 /nfs/dbraw/zinc/04/82/69/433048269.db2.gz KOUSOAHYYNNDTQ-MAUKXSAKSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290419791 433048271 /nfs/dbraw/zinc/04/82/71/433048271.db2.gz KOUSOAHYYNNDTQ-MAUKXSAKSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000290419791 433048275 /nfs/dbraw/zinc/04/82/75/433048275.db2.gz KOUSOAHYYNNDTQ-MAUKXSAKSA-N 2 1 320.477 3.004 20 0 DGADMP CN(CCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)CC[NH+](C)C ZINC000344078918 289133078 /nfs/dbraw/zinc/13/30/78/289133078.db2.gz XWTZGXVSEDLOAZ-IBGZPJMESA-N 2 1 321.484 3.018 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000298194419 433053267 /nfs/dbraw/zinc/05/32/67/433053267.db2.gz BZLULEWFIYWFOO-WCQYABFASA-N 2 1 317.260 3.101 20 0 DGADMP [NH3+]C1(c2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)CCCCC1 ZINC000333545959 433064799 /nfs/dbraw/zinc/06/47/99/433064799.db2.gz IPFNYBDWNBICEQ-CQSZACIVSA-N 2 1 304.438 3.267 20 0 DGADMP C[N@@H+](Cc1ccnc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC000290503492 433071525 /nfs/dbraw/zinc/07/15/25/433071525.db2.gz SQKRXZNEHZIARN-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP C[N@H+](Cc1ccnc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC000290503492 433071535 /nfs/dbraw/zinc/07/15/35/433071535.db2.gz SQKRXZNEHZIARN-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP COCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCC1 ZINC000361288716 433082236 /nfs/dbraw/zinc/08/22/36/433082236.db2.gz MSINVZOXPSHFTH-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000361288716 433082246 /nfs/dbraw/zinc/08/22/46/433082246.db2.gz MSINVZOXPSHFTH-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000361288716 433082251 /nfs/dbraw/zinc/08/22/51/433082251.db2.gz MSINVZOXPSHFTH-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000453319328 433087934 /nfs/dbraw/zinc/08/79/34/433087934.db2.gz KLVLNIBRQYCXES-UKPHBRMFSA-N 2 1 310.869 3.142 20 0 DGADMP COCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000361298241 433088572 /nfs/dbraw/zinc/08/85/72/433088572.db2.gz XBDIOGSWHLFFEA-SFHVURJKSA-N 2 1 308.510 3.391 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C(C)C ZINC000354453607 433090354 /nfs/dbraw/zinc/09/03/54/433090354.db2.gz DPMPJNBSEOYHPR-FUHWJXTLSA-N 2 1 306.498 3.454 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1C(C)C ZINC000354453605 433090384 /nfs/dbraw/zinc/09/03/84/433090384.db2.gz DPMPJNBSEOYHPR-AEFFLSMTSA-N 2 1 306.498 3.454 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000290553556 433093716 /nfs/dbraw/zinc/09/37/16/433093716.db2.gz RXGODTGDDSBIFK-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000290553556 433093724 /nfs/dbraw/zinc/09/37/24/433093724.db2.gz RXGODTGDDSBIFK-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1O ZINC000290558545 433095043 /nfs/dbraw/zinc/09/50/43/433095043.db2.gz DLQMXXPGFWRZTP-LSDHHAIUSA-N 2 1 306.450 3.316 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000446754102 433098028 /nfs/dbraw/zinc/09/80/28/433098028.db2.gz VKQJMLUIQFQPJY-ICSRJNTNSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000290632425 433126612 /nfs/dbraw/zinc/12/66/12/433126612.db2.gz YAPWLIGDEAYQAN-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000290632425 433126621 /nfs/dbraw/zinc/12/66/21/433126621.db2.gz YAPWLIGDEAYQAN-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000290632425 433126626 /nfs/dbraw/zinc/12/66/26/433126626.db2.gz YAPWLIGDEAYQAN-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000290632425 433126641 /nfs/dbraw/zinc/12/66/41/433126641.db2.gz YAPWLIGDEAYQAN-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000290655727 433130504 /nfs/dbraw/zinc/13/05/04/433130504.db2.gz KJSCEGDYVLHNHR-MISYRCLQSA-N 2 1 324.472 3.108 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1O ZINC000290661890 433133796 /nfs/dbraw/zinc/13/37/96/433133796.db2.gz KQYGPCLIROECRE-ZDUSSCGKSA-N 2 1 303.406 3.037 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)[C@@H]1C ZINC000354535826 433136130 /nfs/dbraw/zinc/13/61/30/433136130.db2.gz CTMCDKQVRDYJDC-XDNAFOTISA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)[C@@H]1C ZINC000354535826 433136135 /nfs/dbraw/zinc/13/61/35/433136135.db2.gz CTMCDKQVRDYJDC-XDNAFOTISA-N 2 1 324.509 3.064 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000298459344 433144803 /nfs/dbraw/zinc/14/48/03/433144803.db2.gz HZTPNWNCLQXHAF-GOSISDBHSA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000298459344 433144816 /nfs/dbraw/zinc/14/48/16/433144816.db2.gz HZTPNWNCLQXHAF-GOSISDBHSA-N 2 1 324.472 3.054 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388649 433145530 /nfs/dbraw/zinc/14/55/30/433145530.db2.gz BVKPZIMKIRJJPP-HKUYNNGSSA-N 2 1 315.505 3.286 20 0 DGADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420303884 433152383 /nfs/dbraw/zinc/15/23/83/433152383.db2.gz NVVDTLNLCKVQJF-XLIONFOSSA-N 2 1 316.489 3.138 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000290583782 433106239 /nfs/dbraw/zinc/10/62/39/433106239.db2.gz UTEQYXSATBBWHB-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000290583782 433106247 /nfs/dbraw/zinc/10/62/47/433106247.db2.gz UTEQYXSATBBWHB-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000290583782 433106256 /nfs/dbraw/zinc/10/62/56/433106256.db2.gz UTEQYXSATBBWHB-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000290583782 433106264 /nfs/dbraw/zinc/10/62/64/433106264.db2.gz UTEQYXSATBBWHB-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000350182526 433106986 /nfs/dbraw/zinc/10/69/86/433106986.db2.gz ZMOFCAFWKSHSKG-YJBOKZPZSA-N 2 1 308.441 3.319 20 0 DGADMP FCCCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420301169 433154882 /nfs/dbraw/zinc/15/48/82/433154882.db2.gz AHTMJKLUWMKKRC-AWEZNQCLSA-N 2 1 311.470 3.227 20 0 DGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453358327 433116848 /nfs/dbraw/zinc/11/68/48/433116848.db2.gz PUSCFMYSVIGURT-RAFMOHDBSA-N 2 1 316.489 3.443 20 0 DGADMP c1cc(C[N@H+](CC[C@H]2CCCO2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420317547 433160119 /nfs/dbraw/zinc/16/01/19/433160119.db2.gz VAWFCHHNQLNASI-SJORKVTESA-N 2 1 320.502 3.261 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000420322168 433165846 /nfs/dbraw/zinc/16/58/46/433165846.db2.gz SDFKJPHYJCHWHF-AZUAARDMSA-N 2 1 324.468 3.302 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(OC)c1 ZINC000453413791 433167167 /nfs/dbraw/zinc/16/71/67/433167167.db2.gz IEQFOMGOTRDLID-CQSZACIVSA-N 2 1 306.450 3.229 20 0 DGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326115 433167312 /nfs/dbraw/zinc/16/73/12/433167312.db2.gz JJVAQFYCBBNFJK-SUMWQHHRSA-N 2 1 324.415 3.103 20 0 DGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420331036 433168194 /nfs/dbraw/zinc/16/81/94/433168194.db2.gz QMUYEEYMBIPJKD-UONOGXRCSA-N 2 1 307.507 3.262 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335610 433171512 /nfs/dbraw/zinc/17/15/12/433171512.db2.gz IYBLQNLYWJOKPZ-CXAGYDPISA-N 2 1 316.424 3.208 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335610 433171522 /nfs/dbraw/zinc/17/15/22/433171522.db2.gz IYBLQNLYWJOKPZ-CXAGYDPISA-N 2 1 316.424 3.208 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000420364922 433180228 /nfs/dbraw/zinc/18/02/28/433180228.db2.gz PNTRYWQWKXGULM-ZDUSSCGKSA-N 2 1 304.356 3.047 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453439165 433185791 /nfs/dbraw/zinc/18/57/91/433185791.db2.gz VYCQTYOJJUXVKZ-AWEZNQCLSA-N 2 1 306.450 3.229 20 0 DGADMP CC(C)COCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336723639 433187709 /nfs/dbraw/zinc/18/77/09/433187709.db2.gz WNEOGRCDMCGUAK-LJQANCHMSA-N 2 1 304.478 3.113 20 0 DGADMP CC(C)COCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723639 433187717 /nfs/dbraw/zinc/18/77/17/433187717.db2.gz WNEOGRCDMCGUAK-LJQANCHMSA-N 2 1 304.478 3.113 20 0 DGADMP CC(C)COCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723639 433187725 /nfs/dbraw/zinc/18/77/25/433187725.db2.gz WNEOGRCDMCGUAK-LJQANCHMSA-N 2 1 304.478 3.113 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420373152 433187894 /nfs/dbraw/zinc/18/78/94/433187894.db2.gz MCGIGHCWOJUETH-HKUYNNGSSA-N 2 1 302.462 3.012 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453444356 433189702 /nfs/dbraw/zinc/18/97/02/433189702.db2.gz ZFTCYXDJHJAAIL-OXGONZEZSA-N 2 1 308.491 3.287 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000420385414 433193856 /nfs/dbraw/zinc/19/38/56/433193856.db2.gz GLHDEHJMOQOKPA-UHFFFAOYSA-N 2 1 308.429 3.043 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000420385414 433193862 /nfs/dbraw/zinc/19/38/62/433193862.db2.gz GLHDEHJMOQOKPA-UHFFFAOYSA-N 2 1 308.429 3.043 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000420386514 433194527 /nfs/dbraw/zinc/19/45/27/433194527.db2.gz UVTGXIYOTBWICZ-SJKOYZFVSA-N 2 1 302.462 3.231 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336874947 433197347 /nfs/dbraw/zinc/19/73/47/433197347.db2.gz ZHZXSJFUJAZXGN-QAPCUYQASA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336874947 433197357 /nfs/dbraw/zinc/19/73/57/433197357.db2.gz ZHZXSJFUJAZXGN-QAPCUYQASA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336874947 433197362 /nfs/dbraw/zinc/19/73/62/433197362.db2.gz ZHZXSJFUJAZXGN-QAPCUYQASA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336874947 433197373 /nfs/dbraw/zinc/19/73/73/433197373.db2.gz ZHZXSJFUJAZXGN-QAPCUYQASA-N 2 1 319.493 3.420 20 0 DGADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413979 433225701 /nfs/dbraw/zinc/22/57/01/433225701.db2.gz CYGBHFYFKMHGGQ-LSTHTHJFSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413979 433225715 /nfs/dbraw/zinc/22/57/15/433225715.db2.gz CYGBHFYFKMHGGQ-LSTHTHJFSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413979 433225724 /nfs/dbraw/zinc/22/57/24/433225724.db2.gz CYGBHFYFKMHGGQ-LSTHTHJFSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413979 433225735 /nfs/dbraw/zinc/22/57/35/433225735.db2.gz CYGBHFYFKMHGGQ-LSTHTHJFSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000298731612 433229619 /nfs/dbraw/zinc/22/96/19/433229619.db2.gz PGKHIJUOCXBRQJ-AWEZNQCLSA-N 2 1 324.415 3.070 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccccc1Br)C1CC1 ZINC000453600211 433231390 /nfs/dbraw/zinc/23/13/90/433231390.db2.gz RXTSTJQXONPMLV-UHFFFAOYSA-N 2 1 311.267 3.413 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)cs1)C1CC1 ZINC000453607856 433235820 /nfs/dbraw/zinc/23/58/20/433235820.db2.gz XHMQSXRYXDZNIA-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454980 433249222 /nfs/dbraw/zinc/24/92/22/433249222.db2.gz FONIYKOWHCCOFQ-WOJBJXKFSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454980 433249233 /nfs/dbraw/zinc/24/92/33/433249233.db2.gz FONIYKOWHCCOFQ-WOJBJXKFSA-N 2 1 314.473 3.009 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726569 433265769 /nfs/dbraw/zinc/26/57/69/433265769.db2.gz GGJXPKGVXKJWPX-ZYHUDNBSSA-N 2 1 321.412 3.324 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCN(CC)CC(F)(F)F)CC1 ZINC000354848301 433315875 /nfs/dbraw/zinc/31/58/75/433315875.db2.gz KTTXEUUGNXRBGJ-UHFFFAOYSA-N 2 1 323.447 3.067 20 0 DGADMP CC[C@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420929742 433326392 /nfs/dbraw/zinc/32/63/92/433326392.db2.gz DADXXSGAOVLXGN-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP CC[C@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420929742 433326402 /nfs/dbraw/zinc/32/64/02/433326402.db2.gz DADXXSGAOVLXGN-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)CCOc1ccccc1C(C)(C)C ZINC000361593399 433271045 /nfs/dbraw/zinc/27/10/45/433271045.db2.gz HHHXRSLPNSCWDX-UHFFFAOYSA-N 2 1 315.461 3.500 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC000361593399 433271055 /nfs/dbraw/zinc/27/10/55/433271055.db2.gz HHHXRSLPNSCWDX-UHFFFAOYSA-N 2 1 315.461 3.500 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000350836559 433298047 /nfs/dbraw/zinc/29/80/47/433298047.db2.gz WPDAGOGNCHQHRT-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000350836559 433298058 /nfs/dbraw/zinc/29/80/58/433298058.db2.gz WPDAGOGNCHQHRT-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420899097 433299152 /nfs/dbraw/zinc/29/91/52/433299152.db2.gz GHQLQIIGSDCSJU-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP CC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420899097 433299160 /nfs/dbraw/zinc/29/91/60/433299160.db2.gz GHQLQIIGSDCSJU-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420902703 433303092 /nfs/dbraw/zinc/30/30/92/433303092.db2.gz MYYMLIVYIZLPKI-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420902703 433303097 /nfs/dbraw/zinc/30/30/97/433303097.db2.gz MYYMLIVYIZLPKI-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420904702 433304694 /nfs/dbraw/zinc/30/46/94/433304694.db2.gz CEKGBXLLKAGKOA-DLBZAZTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420904702 433304701 /nfs/dbraw/zinc/30/47/01/433304701.db2.gz CEKGBXLLKAGKOA-DLBZAZTESA-N 2 1 302.462 3.139 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414054917 433365043 /nfs/dbraw/zinc/36/50/43/433365043.db2.gz BZVVPKFADHSALU-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000281741755 433367575 /nfs/dbraw/zinc/36/75/75/433367575.db2.gz VMXSWBNLNKYXAG-RCCFBDPRSA-N 2 1 324.472 3.465 20 0 DGADMP CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[N@H+]1C ZINC000421000724 433375312 /nfs/dbraw/zinc/37/53/12/433375312.db2.gz OWACMYYOPSGAOI-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@@H]1C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421000724 433375322 /nfs/dbraw/zinc/37/53/22/433375322.db2.gz OWACMYYOPSGAOI-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421000724 433375331 /nfs/dbraw/zinc/37/53/31/433375331.db2.gz OWACMYYOPSGAOI-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)C[NH+](C)C ZINC000425930523 433376262 /nfs/dbraw/zinc/37/62/62/433376262.db2.gz IMPBUXSKMMEFLQ-NEPJUHHUSA-N 2 1 304.356 3.434 20 0 DGADMP C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000420933506 433328672 /nfs/dbraw/zinc/32/86/72/433328672.db2.gz GBJXCLGUSWPCEF-XLIONFOSSA-N 2 1 316.489 3.123 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]2CCCO2)cc1 ZINC000339068858 433340200 /nfs/dbraw/zinc/34/02/00/433340200.db2.gz IAVXBQMBSYBGLZ-HCXYKTFWSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]2CCCO2)cc1 ZINC000339068858 433340205 /nfs/dbraw/zinc/34/02/05/433340205.db2.gz IAVXBQMBSYBGLZ-HCXYKTFWSA-N 2 1 300.446 3.123 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339075020 433341705 /nfs/dbraw/zinc/34/17/05/433341705.db2.gz PCBKCOFWKGUVIS-IOASZLSFSA-N 2 1 306.837 3.380 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339075020 433341714 /nfs/dbraw/zinc/34/17/14/433341714.db2.gz PCBKCOFWKGUVIS-IOASZLSFSA-N 2 1 306.837 3.380 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000342039172 433430931 /nfs/dbraw/zinc/43/09/31/433430931.db2.gz FGAZZAZZPKRLLP-WMZOPIPTSA-N 2 1 312.461 3.397 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000414080375 433385270 /nfs/dbraw/zinc/38/52/70/433385270.db2.gz SYZLYTGIWVCWIZ-ZFWWWQNUSA-N 2 1 301.434 3.495 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000421032499 433396003 /nfs/dbraw/zinc/39/60/03/433396003.db2.gz WUSGRNBKIKQSGO-APWZRJJASA-N 2 1 302.462 3.018 20 0 DGADMP Cc1ccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)o1 ZINC000301154095 433432591 /nfs/dbraw/zinc/43/25/91/433432591.db2.gz QNBMWSGPBLNNRC-HNNXBMFYSA-N 2 1 300.406 3.244 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1C ZINC000414113150 433403921 /nfs/dbraw/zinc/40/39/21/433403921.db2.gz RQHYDTOLOAGIIC-OBZTUIKSSA-N 2 1 316.489 3.168 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@@H]1C ZINC000414113147 433405797 /nfs/dbraw/zinc/40/57/97/433405797.db2.gz RQHYDTOLOAGIIC-LDTOTXGLSA-N 2 1 316.489 3.168 20 0 DGADMP COCCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000281894498 433423497 /nfs/dbraw/zinc/42/34/97/433423497.db2.gz HIWUNFXKFFLGIZ-SFHVURJKSA-N 2 1 319.424 3.478 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000414180394 433445635 /nfs/dbraw/zinc/44/56/35/433445635.db2.gz LZJRYEKPHOXBTM-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000355069810 433447370 /nfs/dbraw/zinc/44/73/70/433447370.db2.gz SDVHYGCKPHOTTQ-RDJZCZTQSA-N 2 1 302.462 3.047 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000355069813 433447933 /nfs/dbraw/zinc/44/79/33/433447933.db2.gz SDVHYGCKPHOTTQ-WBVHZDCISA-N 2 1 302.462 3.047 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414203808 433457636 /nfs/dbraw/zinc/45/76/36/433457636.db2.gz NRMAPMRSVJQONP-YQVWRLOYSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414203808 433457641 /nfs/dbraw/zinc/45/76/41/433457641.db2.gz NRMAPMRSVJQONP-YQVWRLOYSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414212503 433467520 /nfs/dbraw/zinc/46/75/20/433467520.db2.gz WQPYQGNYSGMQGV-RSPOEFSDSA-N 2 1 316.489 3.444 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414206832 433463873 /nfs/dbraw/zinc/46/38/73/433463873.db2.gz QFQAMVJPAQWQSS-JENIJYKNSA-N 2 1 304.478 3.159 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414206832 433463887 /nfs/dbraw/zinc/46/38/87/433463887.db2.gz QFQAMVJPAQWQSS-JENIJYKNSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361969665 433475139 /nfs/dbraw/zinc/47/51/39/433475139.db2.gz ZTPPYIRHYIDTRV-KRWDZBQOSA-N 2 1 301.459 3.372 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361969665 433475151 /nfs/dbraw/zinc/47/51/51/433475151.db2.gz ZTPPYIRHYIDTRV-KRWDZBQOSA-N 2 1 301.459 3.372 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361969681 433475343 /nfs/dbraw/zinc/47/53/43/433475343.db2.gz ZTPPYIRHYIDTRV-QGZVFWFLSA-N 2 1 301.459 3.372 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361969681 433475346 /nfs/dbraw/zinc/47/53/46/433475346.db2.gz ZTPPYIRHYIDTRV-QGZVFWFLSA-N 2 1 301.459 3.372 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000414245943 433480808 /nfs/dbraw/zinc/48/08/08/433480808.db2.gz UBVKLCKVBZJGKQ-ZIAGYGMSSA-N 2 1 308.416 3.459 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340139 433480846 /nfs/dbraw/zinc/48/08/46/433480846.db2.gz NWNXRELEWFDAIZ-RTBURBONSA-N 2 1 302.462 3.059 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340139 433480853 /nfs/dbraw/zinc/48/08/53/433480853.db2.gz NWNXRELEWFDAIZ-RTBURBONSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340139 433480865 /nfs/dbraw/zinc/48/08/65/433480865.db2.gz NWNXRELEWFDAIZ-RTBURBONSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340139 433480875 /nfs/dbraw/zinc/48/08/75/433480875.db2.gz NWNXRELEWFDAIZ-RTBURBONSA-N 2 1 302.462 3.059 20 0 DGADMP Cc1ccc(Br)c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414246296 433484219 /nfs/dbraw/zinc/48/42/19/433484219.db2.gz BIMQIOJBUBRSCW-HUUCEWRRSA-N 2 1 323.278 3.474 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000414293175 433516985 /nfs/dbraw/zinc/51/69/85/433516985.db2.gz YTYICAICDZXCBD-JFIYKMOQSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)C(C)C ZINC000414299987 433524660 /nfs/dbraw/zinc/52/46/60/433524660.db2.gz RZSXMTZGESTZGW-RBUKOAKNSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000339349513 433528278 /nfs/dbraw/zinc/52/82/78/433528278.db2.gz QIBWZMHFYOMMCD-INIZCTEOSA-N 2 1 324.877 3.019 20 0 DGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000339349513 433528287 /nfs/dbraw/zinc/52/82/87/433528287.db2.gz QIBWZMHFYOMMCD-INIZCTEOSA-N 2 1 324.877 3.019 20 0 DGADMP Cc1ccc(Br)c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414246299 433486179 /nfs/dbraw/zinc/48/61/79/433486179.db2.gz BIMQIOJBUBRSCW-LSDHHAIUSA-N 2 1 323.278 3.474 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC(C)(C)COC)CC1)CC1CC1 ZINC000426406741 433487826 /nfs/dbraw/zinc/48/78/26/433487826.db2.gz RDMJOWAPFHWSDH-UHFFFAOYSA-N 2 1 310.526 3.493 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3cccc4ccccc43)C2)C1 ZINC000292167945 433489367 /nfs/dbraw/zinc/48/93/67/433489367.db2.gz PKHWAHWZRSZANM-FQEVSTJZSA-N 2 1 310.441 3.246 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3cccc4ccccc43)C2)C1 ZINC000292167945 433489375 /nfs/dbraw/zinc/48/93/75/433489375.db2.gz PKHWAHWZRSZANM-FQEVSTJZSA-N 2 1 310.441 3.246 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3cccc4ccccc43)C2)C1 ZINC000292167945 433489384 /nfs/dbraw/zinc/48/93/84/433489384.db2.gz PKHWAHWZRSZANM-FQEVSTJZSA-N 2 1 310.441 3.246 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)c1 ZINC000282123528 433504000 /nfs/dbraw/zinc/50/40/00/433504000.db2.gz JQGVWAKVGQCHSO-OAHLLOKOSA-N 2 1 300.450 3.031 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)c1 ZINC000282123528 433504010 /nfs/dbraw/zinc/50/40/10/433504010.db2.gz JQGVWAKVGQCHSO-OAHLLOKOSA-N 2 1 300.450 3.031 20 0 DGADMP C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@@H]1n1ccnc1 ZINC000375615388 433506445 /nfs/dbraw/zinc/50/64/45/433506445.db2.gz WPKXRXKBCQYWRJ-WMZOPIPTSA-N 2 1 305.466 3.363 20 0 DGADMP Cc1nn(C(C)C)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375618670 433507272 /nfs/dbraw/zinc/50/72/72/433507272.db2.gz AFVVQDQIRPERRA-QFBILLFUSA-N 2 1 316.493 3.221 20 0 DGADMP C[N@@H+](CCOc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375747397 433551245 /nfs/dbraw/zinc/55/12/45/433551245.db2.gz UYTLRTMNAPJIDG-YIONKMFJSA-N 2 1 308.853 3.276 20 0 DGADMP C[NH+](CCOc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375747397 433551252 /nfs/dbraw/zinc/55/12/52/433551252.db2.gz UYTLRTMNAPJIDG-YIONKMFJSA-N 2 1 308.853 3.276 20 0 DGADMP C[NH+](CCOc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375747397 433551259 /nfs/dbraw/zinc/55/12/59/433551259.db2.gz UYTLRTMNAPJIDG-YIONKMFJSA-N 2 1 308.853 3.276 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc3ccccc3s2)CC1(C)C ZINC000282284069 433553182 /nfs/dbraw/zinc/55/31/82/433553182.db2.gz ILZCHGVBYZLVNC-UHFFFAOYSA-N 2 1 317.502 3.017 20 0 DGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)ncn1 ZINC000301443051 433558468 /nfs/dbraw/zinc/55/84/68/433558468.db2.gz NCMFBQNMFOROPO-SFHVURJKSA-N 2 1 310.445 3.133 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCSC1 ZINC000339412763 433568137 /nfs/dbraw/zinc/56/81/37/433568137.db2.gz RJEDBGUAKVWKPF-FHWLQOOXSA-N 2 1 318.530 3.412 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCSC1 ZINC000339412766 433568281 /nfs/dbraw/zinc/56/82/81/433568281.db2.gz RJEDBGUAKVWKPF-GBESFXJTSA-N 2 1 318.530 3.412 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nn1C ZINC000282337671 433570553 /nfs/dbraw/zinc/57/05/53/433570553.db2.gz VBZJOXCEQJGANO-MRXNPFEDSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nn1C ZINC000282337671 433570560 /nfs/dbraw/zinc/57/05/60/433570560.db2.gz VBZJOXCEQJGANO-MRXNPFEDSA-N 2 1 314.477 3.420 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437974 433586338 /nfs/dbraw/zinc/58/63/38/433586338.db2.gz IJXUYSDHRMQXRM-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437974 433586348 /nfs/dbraw/zinc/58/63/48/433586348.db2.gz IJXUYSDHRMQXRM-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437974 433586354 /nfs/dbraw/zinc/58/63/54/433586354.db2.gz IJXUYSDHRMQXRM-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1OC ZINC000342220575 433546075 /nfs/dbraw/zinc/54/60/75/433546075.db2.gz CNWVOTRYRLXQGL-MRXNPFEDSA-N 2 1 320.477 3.222 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000351517629 433547601 /nfs/dbraw/zinc/54/76/01/433547601.db2.gz ORXGODKNRBQXIB-UHFFFAOYSA-N 2 1 314.473 3.460 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)Cc2ccccc2O1 ZINC000292313793 433547710 /nfs/dbraw/zinc/54/77/10/433547710.db2.gz DXJIPVYVCGNEBB-HNNXBMFYSA-N 2 1 320.396 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)Cc2ccccc2O1 ZINC000292313793 433547718 /nfs/dbraw/zinc/54/77/18/433547718.db2.gz DXJIPVYVCGNEBB-HNNXBMFYSA-N 2 1 320.396 3.050 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591575 433601542 /nfs/dbraw/zinc/60/15/42/433601542.db2.gz FTAODXKOXFSSCA-RTBURBONSA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591575 433601551 /nfs/dbraw/zinc/60/15/51/433601551.db2.gz FTAODXKOXFSSCA-RTBURBONSA-N 2 1 320.452 3.102 20 0 DGADMP CC1CCC([NH+]2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000351594275 433601675 /nfs/dbraw/zinc/60/16/75/433601675.db2.gz GAYAHKNSTGNZQM-JLAWEPINSA-N 2 1 307.526 3.057 20 0 DGADMP CCc1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000414429807 433609176 /nfs/dbraw/zinc/60/91/76/433609176.db2.gz ILMBOAIKUDQSAT-UHFFFAOYSA-N 2 1 304.482 3.173 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(F)F ZINC000427122417 433655533 /nfs/dbraw/zinc/65/55/33/433655533.db2.gz BZDWMSQHXWYJPK-CABCVRRESA-N 2 1 310.388 3.089 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(F)F ZINC000427122417 433655542 /nfs/dbraw/zinc/65/55/42/433655542.db2.gz BZDWMSQHXWYJPK-CABCVRRESA-N 2 1 310.388 3.089 20 0 DGADMP Cc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301671933 433668779 /nfs/dbraw/zinc/66/87/79/433668779.db2.gz FSDFAVLYGSPNNG-LJQANCHMSA-N 2 1 324.472 3.378 20 0 DGADMP Cc1nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301671933 433668791 /nfs/dbraw/zinc/66/87/91/433668791.db2.gz FSDFAVLYGSPNNG-LJQANCHMSA-N 2 1 324.472 3.378 20 0 DGADMP C[C@]1(C[NH2+]C[C@H]2CCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000376148009 433677844 /nfs/dbraw/zinc/67/78/44/433677844.db2.gz JKSWJUZDXMIPLR-QZTJIDSGSA-N 2 1 304.503 3.241 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000367082212 293022747 /nfs/dbraw/zinc/02/27/47/293022747.db2.gz YPSCZXNEUFCWFP-CEXWTWQISA-N 2 1 308.510 3.268 20 0 DGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326828 293116377 /nfs/dbraw/zinc/11/63/77/293116377.db2.gz HZWSCCHJKIUMJW-ICSRJNTNSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326827 293116584 /nfs/dbraw/zinc/11/65/84/293116584.db2.gz HZWSCCHJKIUMJW-AZUAARDMSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000368452584 293123832 /nfs/dbraw/zinc/12/38/32/293123832.db2.gz CEYSDGRSMHJLKF-LJQANCHMSA-N 2 1 314.473 3.456 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000376255647 433702095 /nfs/dbraw/zinc/70/20/95/433702095.db2.gz XYTCADQUWKSACG-QXCZDIPSSA-N 2 1 306.494 3.162 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000370532506 293177007 /nfs/dbraw/zinc/17/70/07/293177007.db2.gz ATZAQJGPTWTTLN-FPMFFAJLSA-N 2 1 309.841 3.021 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000370532506 293177011 /nfs/dbraw/zinc/17/70/11/293177011.db2.gz ATZAQJGPTWTTLN-FPMFFAJLSA-N 2 1 309.841 3.021 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677162 293185140 /nfs/dbraw/zinc/18/51/40/293185140.db2.gz SLBYXEIAXGLIIX-BPUTZDHNSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677162 293185142 /nfs/dbraw/zinc/18/51/42/293185142.db2.gz SLBYXEIAXGLIIX-BPUTZDHNSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000373318910 293260572 /nfs/dbraw/zinc/26/05/72/293260572.db2.gz OOVSIXCIDMHSCZ-CQVJONBTSA-N 2 1 302.462 3.053 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373903125 293329801 /nfs/dbraw/zinc/32/98/01/293329801.db2.gz IXRKJZFJBMOAMK-SJLPKXTDSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000374075182 293349890 /nfs/dbraw/zinc/34/98/90/293349890.db2.gz QSCNUNHXQJJSHJ-MKXGPGLRSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374326191 293384948 /nfs/dbraw/zinc/38/49/48/293384948.db2.gz DFXZUHPCUKSUJW-BRWVUGGUSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1cccc(CC[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000449061452 433717241 /nfs/dbraw/zinc/71/72/41/433717241.db2.gz ITJJVAPNXYTLSM-UHFFFAOYSA-N 2 1 324.468 3.160 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328518 433738200 /nfs/dbraw/zinc/73/82/00/433738200.db2.gz FTUHLGFTXZLNIL-RDJZCZTQSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328518 433738207 /nfs/dbraw/zinc/73/82/07/433738207.db2.gz FTUHLGFTXZLNIL-RDJZCZTQSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328518 433738211 /nfs/dbraw/zinc/73/82/11/433738211.db2.gz FTUHLGFTXZLNIL-RDJZCZTQSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328518 433738216 /nfs/dbraw/zinc/73/82/16/433738216.db2.gz FTUHLGFTXZLNIL-RDJZCZTQSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCc3cccnc3CC2)([NH+](C)C)C1 ZINC000421818551 433745276 /nfs/dbraw/zinc/74/52/76/433745276.db2.gz BKLBWXFNAXIQPB-YVWKXTFCSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000421823196 433750819 /nfs/dbraw/zinc/75/08/19/433750819.db2.gz YUNYTUVCDRYDGZ-OLZOCXBDSA-N 2 1 310.844 3.484 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1 ZINC000356893193 433752997 /nfs/dbraw/zinc/75/29/97/433752997.db2.gz INGGCWKGANDQBL-APWZRJJASA-N 2 1 304.478 3.432 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414655149 433769210 /nfs/dbraw/zinc/76/92/10/433769210.db2.gz CXUKWDJZNRXFMG-GOSISDBHSA-N 2 1 318.440 3.125 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414655149 433769217 /nfs/dbraw/zinc/76/92/17/433769217.db2.gz CXUKWDJZNRXFMG-GOSISDBHSA-N 2 1 318.440 3.125 20 0 DGADMP CC(C)[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000427539189 433723608 /nfs/dbraw/zinc/72/36/08/433723608.db2.gz FRNDBLAPHPVTRS-MRXNPFEDSA-N 2 1 314.433 3.378 20 0 DGADMP CCC[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414772542 433823128 /nfs/dbraw/zinc/82/31/28/433823128.db2.gz CBOVQUPRZLZSMF-RBUKOAKNSA-N 2 1 316.489 3.258 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851752 433823208 /nfs/dbraw/zinc/82/32/08/433823208.db2.gz ZNNCHCKECUAGGF-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851752 433823215 /nfs/dbraw/zinc/82/32/15/433823215.db2.gz ZNNCHCKECUAGGF-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000339851752 433823223 /nfs/dbraw/zinc/82/32/23/433823223.db2.gz ZNNCHCKECUAGGF-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2Br)C1 ZINC000339851752 433823229 /nfs/dbraw/zinc/82/32/29/433823229.db2.gz ZNNCHCKECUAGGF-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP Cc1cc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302428342 433824202 /nfs/dbraw/zinc/82/42/02/433824202.db2.gz KNQMZNUCEIRBAX-SFHVURJKSA-N 2 1 310.445 3.416 20 0 DGADMP Cc1cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302428342 433824211 /nfs/dbraw/zinc/82/42/11/433824211.db2.gz KNQMZNUCEIRBAX-SFHVURJKSA-N 2 1 310.445 3.416 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000414658470 433776435 /nfs/dbraw/zinc/77/64/35/433776435.db2.gz JMSFRGOQOXAEJM-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000421856660 433779989 /nfs/dbraw/zinc/77/99/89/433779989.db2.gz NUKWQIZSVPUSKW-ZWKOTPCHSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000421856660 433779997 /nfs/dbraw/zinc/77/99/97/433779997.db2.gz NUKWQIZSVPUSKW-ZWKOTPCHSA-N 2 1 302.462 3.107 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414772409 433824594 /nfs/dbraw/zinc/82/45/94/433824594.db2.gz BUQDDVFHIPIQFB-ZIAGYGMSSA-N 2 1 308.853 3.170 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000414684644 433787152 /nfs/dbraw/zinc/78/71/52/433787152.db2.gz WMLGOEKDDIBRCZ-PMPSAXMXSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000449782672 433791959 /nfs/dbraw/zinc/79/19/59/433791959.db2.gz LNSSZZGKKFRBNB-UHFFFAOYSA-N 2 1 307.526 3.248 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414704323 433801543 /nfs/dbraw/zinc/80/15/43/433801543.db2.gz MZNKWERDIONHKY-BQFCYCMXSA-N 2 1 304.503 3.473 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]1 ZINC000414705882 433801686 /nfs/dbraw/zinc/80/16/86/433801686.db2.gz XPWFFMJNUVJZCC-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)C[C@@H](C)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721520 433808720 /nfs/dbraw/zinc/80/87/20/433808720.db2.gz HHMQMMBINRDGMG-IAGOWNOFSA-N 2 1 318.509 3.046 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@H]2C)CC[NH2+]1 ZINC000414748481 433814590 /nfs/dbraw/zinc/81/45/90/433814590.db2.gz WOXDZPBNBPTPRA-ADAWSYLGSA-N 2 1 322.880 3.490 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414771315 433822854 /nfs/dbraw/zinc/82/28/54/433822854.db2.gz PIJKHXAYGBKELU-SNPRPXQTSA-N 2 1 312.379 3.350 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)C1CCCCC1 ZINC000414837769 433874532 /nfs/dbraw/zinc/87/45/32/433874532.db2.gz JXFCSVILOIVCBY-MRXNPFEDSA-N 2 1 312.404 3.328 20 0 DGADMP CCc1nc(NCc2ccccc2C[N@H+](C)C(C)C)cc(C)[nH+]1 ZINC000339970970 433875975 /nfs/dbraw/zinc/87/59/75/433875975.db2.gz WBRQVQDESBRDMO-UHFFFAOYSA-N 2 1 312.461 3.800 20 0 DGADMP CCc1nc(NCc2ccccc2C[N@@H+](C)C(C)C)cc(C)[nH+]1 ZINC000339970970 433875980 /nfs/dbraw/zinc/87/59/80/433875980.db2.gz WBRQVQDESBRDMO-UHFFFAOYSA-N 2 1 312.461 3.800 20 0 DGADMP Cc1ncsc1C[N@@H+](CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435738560 433876817 /nfs/dbraw/zinc/87/68/17/433876817.db2.gz SOPGVYOVRBFDGB-KRWDZBQOSA-N 2 1 315.486 3.106 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCCO1 ZINC000432425754 433827328 /nfs/dbraw/zinc/82/73/28/433827328.db2.gz XBTKTHMJOYHDMI-YZGWKJHDSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCCO1 ZINC000432425754 433827336 /nfs/dbraw/zinc/82/73/36/433827336.db2.gz XBTKTHMJOYHDMI-YZGWKJHDSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415915 433829211 /nfs/dbraw/zinc/82/92/11/433829211.db2.gz PAANSUIFFIGQJW-KBPBESRZSA-N 2 1 310.404 3.198 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415915 433829216 /nfs/dbraw/zinc/82/92/16/433829216.db2.gz PAANSUIFFIGQJW-KBPBESRZSA-N 2 1 310.404 3.198 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000284087847 433832206 /nfs/dbraw/zinc/83/22/06/433832206.db2.gz BIUOBTTTZUXDCU-FPMFFAJLSA-N 2 1 311.857 3.267 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1 ZINC000414785639 433833716 /nfs/dbraw/zinc/83/37/16/433833716.db2.gz SWMGHROWAGHHLM-HOCLYGCPSA-N 2 1 322.880 3.131 20 0 DGADMP C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C[NH+](C)C ZINC000293712029 433838864 /nfs/dbraw/zinc/83/88/64/433838864.db2.gz OYBHCKMJOBGSTR-KKXNLOMOSA-N 3 1 317.521 3.217 20 0 DGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009626 433843772 /nfs/dbraw/zinc/84/37/72/433843772.db2.gz BFSWROYWNOPPAQ-SFHVURJKSA-N 2 1 309.473 3.092 20 0 DGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414805928 433850394 /nfs/dbraw/zinc/85/03/94/433850394.db2.gz YYNZXLFWRYCDGU-RNCFNFMXSA-N 2 1 317.658 3.320 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000414810188 433853254 /nfs/dbraw/zinc/85/32/54/433853254.db2.gz HNFDEUUCZIBMKV-GFCCVEGCSA-N 2 1 315.255 3.065 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000284191380 433855077 /nfs/dbraw/zinc/85/50/77/433855077.db2.gz RQVGOADVMRLFDT-BEFAXECRSA-N 2 1 302.462 3.480 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000293763462 433859778 /nfs/dbraw/zinc/85/97/78/433859778.db2.gz SGFBVUCTUIQXMZ-RYUDHWBXSA-N 2 1 316.392 3.145 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000414819063 433859807 /nfs/dbraw/zinc/85/98/07/433859807.db2.gz XQSROTGZWRALIJ-GOEBONIOSA-N 2 1 305.466 3.073 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414827307 433862010 /nfs/dbraw/zinc/86/20/10/433862010.db2.gz KIHRZAMBIKEHAQ-SNVBAGLBSA-N 2 1 303.233 3.091 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414844718 433878231 /nfs/dbraw/zinc/87/82/31/433878231.db2.gz QEKZFVVUAUHRMD-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000344493373 433869906 /nfs/dbraw/zinc/86/99/06/433869906.db2.gz FPYDTDYFMBQTQK-RCCFBDPRSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000344493373 433869916 /nfs/dbraw/zinc/86/99/16/433869916.db2.gz FPYDTDYFMBQTQK-RCCFBDPRSA-N 2 1 322.880 3.332 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284263987 433872138 /nfs/dbraw/zinc/87/21/38/433872138.db2.gz WJZABSIJWUHCCA-CMTQZCSUSA-N 2 1 318.505 3.426 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435385053 433872253 /nfs/dbraw/zinc/87/22/53/433872253.db2.gz PJCVKIZEUUNKKU-INIZCTEOSA-N 2 1 306.450 3.058 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435429623 433872504 /nfs/dbraw/zinc/87/25/04/433872504.db2.gz YHRMVRVMPXCEQN-NVXWUHKLSA-N 2 1 320.502 3.119 20 0 DGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414880197 433900002 /nfs/dbraw/zinc/90/00/02/433900002.db2.gz JUDCFMXBXILXFB-CABCVRRESA-N 2 1 311.267 3.112 20 0 DGADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414878014 433901807 /nfs/dbraw/zinc/90/18/07/433901807.db2.gz YWICBZXQCLNILE-LLVKDONJSA-N 2 1 317.246 3.108 20 0 DGADMP CO[C@@H](C)[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284928818 433905920 /nfs/dbraw/zinc/90/59/20/433905920.db2.gz DJQSLLLEZWVASL-XYCLOBBJSA-N 2 1 304.478 3.443 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090647 433906874 /nfs/dbraw/zinc/90/68/74/433906874.db2.gz AZCVGFRDJIHOCY-IEBWSBKVSA-N 2 1 316.489 3.135 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090647 433906881 /nfs/dbraw/zinc/90/68/81/433906881.db2.gz AZCVGFRDJIHOCY-IEBWSBKVSA-N 2 1 316.489 3.135 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362917682 433909086 /nfs/dbraw/zinc/90/90/86/433909086.db2.gz LJTIKYQWXMTTMP-UHFFFAOYSA-N 2 1 314.473 3.331 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)sc2C1 ZINC000422561470 433917979 /nfs/dbraw/zinc/91/79/79/433917979.db2.gz LIUINVUEQATZRW-RFGFWPKPSA-N 2 1 307.507 3.073 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)sc2C1 ZINC000422561470 433917988 /nfs/dbraw/zinc/91/79/88/433917988.db2.gz LIUINVUEQATZRW-RFGFWPKPSA-N 2 1 307.507 3.073 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000414923499 433918141 /nfs/dbraw/zinc/91/81/41/433918141.db2.gz FKHCYBFHLLAFQT-KSSFIOAISA-N 2 1 320.477 3.003 20 0 DGADMP C[C@H](C[NH3+])[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000414933710 433921292 /nfs/dbraw/zinc/92/12/92/433921292.db2.gz UNYWPJWNUVDVSV-CYBMUJFWSA-N 2 1 304.384 3.055 20 0 DGADMP O[C@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000345728336 433923513 /nfs/dbraw/zinc/92/35/13/433923513.db2.gz WKZTUAKFDYXCFR-QZTJIDSGSA-N 2 1 322.880 3.228 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414950242 433928914 /nfs/dbraw/zinc/92/89/14/433928914.db2.gz OEOLCVDHZKFNJO-MLGOLLRUSA-N 2 1 318.852 3.064 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCC(C)CC1 ZINC000303262757 433929352 /nfs/dbraw/zinc/92/93/52/433929352.db2.gz QGCLLQCFJULCLN-UHFFFAOYSA-N 2 1 316.493 3.283 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414950245 433929715 /nfs/dbraw/zinc/92/97/15/433929715.db2.gz OEOLCVDHZKFNJO-WBMJQRKESA-N 2 1 318.852 3.064 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000293827864 433883090 /nfs/dbraw/zinc/88/30/90/433883090.db2.gz DQHLVKKBFHMPFP-SJORKVTESA-N 2 1 304.478 3.425 20 0 DGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC(C)C ZINC000414856036 433885827 /nfs/dbraw/zinc/88/58/27/433885827.db2.gz XZULKJVNIVBBSX-QGZVFWFLSA-N 2 1 320.477 3.480 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414976349 433949915 /nfs/dbraw/zinc/94/99/15/433949915.db2.gz PPYIMMIXTHKGAJ-CYBMUJFWSA-N 2 1 304.331 3.322 20 0 DGADMP Cc1ccccc1OCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285445942 433951804 /nfs/dbraw/zinc/95/18/04/433951804.db2.gz ISCDNTMMWRGRCN-JWTNVVGKSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1OCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285445942 433951814 /nfs/dbraw/zinc/95/18/14/433951814.db2.gz ISCDNTMMWRGRCN-JWTNVVGKSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1OCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285445942 433951825 /nfs/dbraw/zinc/95/18/25/433951825.db2.gz ISCDNTMMWRGRCN-JWTNVVGKSA-N 2 1 302.462 3.321 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422781176 433992423 /nfs/dbraw/zinc/99/24/23/433992423.db2.gz DXRKBECFMQGKHA-OALUTQOASA-N 3 1 303.494 3.278 20 0 DGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1CF)C1CC[NH+](C)CC1 ZINC000293985923 433953048 /nfs/dbraw/zinc/95/30/48/433953048.db2.gz LHYWOQAUMOGQSM-GOSISDBHSA-N 2 1 319.468 3.151 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000340168579 433953440 /nfs/dbraw/zinc/95/34/40/433953440.db2.gz SDCAVZFPDNLCJK-QZTJIDSGSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000340168579 433953451 /nfs/dbraw/zinc/95/34/51/433953451.db2.gz SDCAVZFPDNLCJK-QZTJIDSGSA-N 2 1 324.424 3.340 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340174444 433959431 /nfs/dbraw/zinc/95/94/31/433959431.db2.gz UVHGLXSLDUVESU-WMZOPIPTSA-N 2 1 315.486 3.419 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340174444 433959438 /nfs/dbraw/zinc/95/94/38/433959438.db2.gz UVHGLXSLDUVESU-WMZOPIPTSA-N 2 1 315.486 3.419 20 0 DGADMP CCCC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422738146 433961850 /nfs/dbraw/zinc/96/18/50/433961850.db2.gz JGNBRBVRNJHLOA-QAPCUYQASA-N 2 1 318.509 3.154 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422738146 433961855 /nfs/dbraw/zinc/96/18/55/433961855.db2.gz JGNBRBVRNJHLOA-QAPCUYQASA-N 2 1 318.509 3.154 20 0 DGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000340183787 433961902 /nfs/dbraw/zinc/96/19/02/433961902.db2.gz DMOJFYPCRZITPD-YRPNKDGESA-N 2 1 313.489 3.038 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422736216 433962144 /nfs/dbraw/zinc/96/21/44/433962144.db2.gz FYNMQMXXBXEVMO-FCGDIQPGSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422736216 433962152 /nfs/dbraw/zinc/96/21/52/433962152.db2.gz FYNMQMXXBXEVMO-FCGDIQPGSA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422736216 433962162 /nfs/dbraw/zinc/96/21/62/433962162.db2.gz FYNMQMXXBXEVMO-FCGDIQPGSA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)COc1cccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000414997552 433963334 /nfs/dbraw/zinc/96/33/34/433963334.db2.gz HVHJHXNNNXYKNC-HNNXBMFYSA-N 2 1 312.404 3.056 20 0 DGADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340183188 433965678 /nfs/dbraw/zinc/96/56/78/433965678.db2.gz KVZFRNUIEJKPGL-WOJBJXKFSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422743144 433966691 /nfs/dbraw/zinc/96/66/91/433966691.db2.gz IARRRLQOICKANU-DLBZAZTESA-N 3 1 303.494 3.319 20 0 DGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422745309 433967786 /nfs/dbraw/zinc/96/77/86/433967786.db2.gz LYZXJPCFJZDKQZ-SWLSCSKDSA-N 2 1 323.278 3.068 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340186931 433969139 /nfs/dbraw/zinc/96/91/39/433969139.db2.gz YQBNEDGNTWLQPT-WOJBJXKFSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422745399 433972515 /nfs/dbraw/zinc/97/25/15/433972515.db2.gz UZYPHAVLLWCGEM-RNQOJCNYSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422746317 433973759 /nfs/dbraw/zinc/97/37/59/433973759.db2.gz NSKHNOKKFAOZAR-IUODEOHRSA-N 2 1 323.278 3.211 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000415044152 433973917 /nfs/dbraw/zinc/97/39/17/433973917.db2.gz WSHSALISGYMYBD-QGZVFWFLSA-N 2 1 317.477 3.335 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCOc2ccccc21 ZINC000303985685 433974465 /nfs/dbraw/zinc/97/44/65/433974465.db2.gz IQGPXLBIYYHKOD-GOSISDBHSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067827 433975974 /nfs/dbraw/zinc/97/59/74/433975974.db2.gz PYHLANZSZOCYKZ-AHRSYUTCSA-N 2 1 315.505 3.147 20 0 DGADMP COc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc(OC)c1 ZINC000303988217 433977728 /nfs/dbraw/zinc/97/77/28/433977728.db2.gz NIBDDXWZQIAFOX-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc(OC)c1 ZINC000303988217 433977736 /nfs/dbraw/zinc/97/77/36/433977736.db2.gz NIBDDXWZQIAFOX-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP CCOc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000422760413 433977840 /nfs/dbraw/zinc/97/78/40/433977840.db2.gz MDTMMRVJLQYVQO-RDJZCZTQSA-N 2 1 320.477 3.147 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C2CC2)c1 ZINC000340199656 433980736 /nfs/dbraw/zinc/98/07/36/433980736.db2.gz PDLNPSHWJPEUEQ-HNNXBMFYSA-N 2 1 302.462 3.061 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422762577 433981806 /nfs/dbraw/zinc/98/18/06/433981806.db2.gz OAAIUTLXGIOUDH-ZTFGCOKTSA-N 2 1 301.478 3.231 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363168296 433982484 /nfs/dbraw/zinc/98/24/84/433982484.db2.gz WLOPSYCAYCLQQH-HUUCEWRRSA-N 2 1 310.388 3.047 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772926 433988608 /nfs/dbraw/zinc/98/86/08/433988608.db2.gz ZHRBOYPDIZSOKC-ZJPYXAASSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772926 433988619 /nfs/dbraw/zinc/98/86/19/433988619.db2.gz ZHRBOYPDIZSOKC-ZJPYXAASSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000422775219 433989909 /nfs/dbraw/zinc/98/99/09/433989909.db2.gz ARRGIOGEXQUIRI-FCGDIQPGSA-N 2 1 307.526 3.007 20 0 DGADMP COc1cccc(CCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285549657 433990784 /nfs/dbraw/zinc/99/07/84/433990784.db2.gz QPTAFXOLEIFDSS-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285549657 433990793 /nfs/dbraw/zinc/99/07/93/433990793.db2.gz QPTAFXOLEIFDSS-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285549657 433990803 /nfs/dbraw/zinc/99/08/03/433990803.db2.gz QPTAFXOLEIFDSS-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccncc1F ZINC000340213791 433991197 /nfs/dbraw/zinc/99/11/97/433991197.db2.gz QYIQZNKAFAMIQE-AWEZNQCLSA-N 2 1 317.408 3.012 20 0 DGADMP Cc1ccncc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377767445 433992098 /nfs/dbraw/zinc/99/20/98/433992098.db2.gz HRYISMZXDOJVKX-FPOVZHCZSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377767445 433992107 /nfs/dbraw/zinc/99/21/07/433992107.db2.gz HRYISMZXDOJVKX-FPOVZHCZSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377767445 433992123 /nfs/dbraw/zinc/99/21/23/433992123.db2.gz HRYISMZXDOJVKX-FPOVZHCZSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377767445 433992130 /nfs/dbraw/zinc/99/21/30/433992130.db2.gz HRYISMZXDOJVKX-FPOVZHCZSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000422708952 433940494 /nfs/dbraw/zinc/94/04/94/433940494.db2.gz CMHZRVRNGHAFAC-RKDXNWHRSA-N 2 1 305.647 3.318 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236831 434004634 /nfs/dbraw/zinc/00/46/34/434004634.db2.gz QUKXTNUHEGRDEM-WOJBJXKFSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236831 434004645 /nfs/dbraw/zinc/00/46/45/434004645.db2.gz QUKXTNUHEGRDEM-WOJBJXKFSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422801631 434016146 /nfs/dbraw/zinc/01/61/46/434016146.db2.gz CFGWFLONYLANFO-RTWAWAEBSA-N 3 1 323.484 3.331 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340253733 434018186 /nfs/dbraw/zinc/01/81/86/434018186.db2.gz BPFJPVVWGOMKDB-LSTHTHJFSA-N 2 1 309.457 3.438 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340253733 434018193 /nfs/dbraw/zinc/01/81/93/434018193.db2.gz BPFJPVVWGOMKDB-LSTHTHJFSA-N 2 1 309.457 3.438 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806843 434020656 /nfs/dbraw/zinc/02/06/56/434020656.db2.gz NXMYZFFEHMHBSK-YESZJQIVSA-N 2 1 301.459 3.085 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340257069 434023075 /nfs/dbraw/zinc/02/30/75/434023075.db2.gz JSFRETHEWIYFPT-SJORKVTESA-N 2 1 318.461 3.143 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340257069 434023083 /nfs/dbraw/zinc/02/30/83/434023083.db2.gz JSFRETHEWIYFPT-SJORKVTESA-N 2 1 318.461 3.143 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC2CCCC2)c1 ZINC000422822588 434029080 /nfs/dbraw/zinc/02/90/80/434029080.db2.gz KEPBMJFZKHDCQF-INIZCTEOSA-N 2 1 318.461 3.248 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422829797 434033962 /nfs/dbraw/zinc/03/39/62/434033962.db2.gz CAYMAGTVQZBUNS-OIISXLGYSA-N 2 1 307.869 3.039 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000340283553 434034623 /nfs/dbraw/zinc/03/46/23/434034623.db2.gz LQMUCTVHLLPBLY-PMACEKPBSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000340283553 434034628 /nfs/dbraw/zinc/03/46/28/434034628.db2.gz LQMUCTVHLLPBLY-PMACEKPBSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000340283553 434034634 /nfs/dbraw/zinc/03/46/34/434034634.db2.gz LQMUCTVHLLPBLY-PMACEKPBSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000340283553 434034635 /nfs/dbraw/zinc/03/46/35/434034635.db2.gz LQMUCTVHLLPBLY-PMACEKPBSA-N 2 1 315.505 3.238 20 0 DGADMP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCCN1 ZINC000422828260 434035213 /nfs/dbraw/zinc/03/52/13/434035213.db2.gz OESZNEKDKKXWQX-YJBOKZPZSA-N 2 1 321.534 3.080 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000285685512 434040725 /nfs/dbraw/zinc/04/07/25/434040725.db2.gz OESABQLCJXXBDD-DZIBYMRMSA-N 2 1 316.489 3.454 20 0 DGADMP CCCc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000305118141 434044604 /nfs/dbraw/zinc/04/46/04/434044604.db2.gz IQNMPSHGXXPBNZ-INIZCTEOSA-N 2 1 304.478 3.137 20 0 DGADMP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327459 433999170 /nfs/dbraw/zinc/99/91/70/433999170.db2.gz TVDJQALTPPWLKC-YJBOKZPZSA-N 2 1 322.880 3.181 20 0 DGADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327459 433999177 /nfs/dbraw/zinc/99/91/77/433999177.db2.gz TVDJQALTPPWLKC-YJBOKZPZSA-N 2 1 322.880 3.181 20 0 DGADMP O[C@H](CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000285593094 434002111 /nfs/dbraw/zinc/00/21/11/434002111.db2.gz KWZDIMORLHTVDI-YSIASYRMSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@H](CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000285593094 434002121 /nfs/dbraw/zinc/00/21/21/434002121.db2.gz KWZDIMORLHTVDI-YSIASYRMSA-N 2 1 314.473 3.059 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340235586 434002204 /nfs/dbraw/zinc/00/22/04/434002204.db2.gz HJWBGRJOIZTMOH-XUVXKRRUSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235586 434002213 /nfs/dbraw/zinc/00/22/13/434002213.db2.gz HJWBGRJOIZTMOH-XUVXKRRUSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235586 434002223 /nfs/dbraw/zinc/00/22/23/434002223.db2.gz HJWBGRJOIZTMOH-XUVXKRRUSA-N 2 1 315.505 3.286 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422866925 434065267 /nfs/dbraw/zinc/06/52/67/434065267.db2.gz RDPQXWZUGWSOHQ-UXHICEINSA-N 2 1 310.441 3.373 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 ZINC000285795608 434072113 /nfs/dbraw/zinc/07/21/13/434072113.db2.gz VNXKYPQWONHSFC-ZWKOTPCHSA-N 2 1 324.415 3.339 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423205235 293915403 /nfs/dbraw/zinc/91/54/03/293915403.db2.gz DZJULPLUAXMESP-NWDGAFQWSA-N 2 1 312.841 3.007 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422880181 434078578 /nfs/dbraw/zinc/07/85/78/434078578.db2.gz NLBKMIMLRPXTBY-YSVLISHTSA-N 2 1 321.896 3.062 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886547 434080169 /nfs/dbraw/zinc/08/01/69/434080169.db2.gz WWVOIRNTIOBKLL-UWVAXJGDSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422886767 434081354 /nfs/dbraw/zinc/08/13/54/434081354.db2.gz XNPWZEKXYUJFEH-MBOZVWFJSA-N 3 1 315.505 3.278 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885691 434083669 /nfs/dbraw/zinc/08/36/69/434083669.db2.gz UYARTPHQSNUFLT-ATZDWAIDSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885691 434083677 /nfs/dbraw/zinc/08/36/77/434083677.db2.gz UYARTPHQSNUFLT-ATZDWAIDSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885691 434083682 /nfs/dbraw/zinc/08/36/82/434083682.db2.gz UYARTPHQSNUFLT-ATZDWAIDSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422885691 434083691 /nfs/dbraw/zinc/08/36/91/434083691.db2.gz UYARTPHQSNUFLT-ATZDWAIDSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422885691 434083701 /nfs/dbraw/zinc/08/37/01/434083701.db2.gz UYARTPHQSNUFLT-ATZDWAIDSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@H]([NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1)[C@@H]1CC[NH2+]C1 ZINC000422890399 434086286 /nfs/dbraw/zinc/08/62/86/434086286.db2.gz RWJUVCNZGQJJTN-UONOGXRCSA-N 2 1 315.392 3.101 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000346058053 434089542 /nfs/dbraw/zinc/08/95/42/434089542.db2.gz ALAYCCISNUGJEZ-WMZOPIPTSA-N 2 1 322.468 3.330 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346057677 434089616 /nfs/dbraw/zinc/08/96/16/434089616.db2.gz VMLBSKMAQGOVGW-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000285863157 434090166 /nfs/dbraw/zinc/09/01/66/434090166.db2.gz YNDVHXTWPZDMPC-AWEZNQCLSA-N 2 1 318.461 3.290 20 0 DGADMP COc1ccc(OCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422900362 434095772 /nfs/dbraw/zinc/09/57/72/434095772.db2.gz QFSUZOCBMUSSAW-OALUTQOASA-N 2 1 312.413 3.199 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340307451 434048305 /nfs/dbraw/zinc/04/83/05/434048305.db2.gz BKOCNIGPYRWDEC-BZSNNMDCSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340307451 434048314 /nfs/dbraw/zinc/04/83/14/434048314.db2.gz BKOCNIGPYRWDEC-BZSNNMDCSA-N 2 1 304.478 3.209 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422907229 434100987 /nfs/dbraw/zinc/10/09/87/434100987.db2.gz LDISJMKUSAFPLE-LSDHHAIUSA-N 2 1 304.482 3.045 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000305151058 434049056 /nfs/dbraw/zinc/04/90/56/434049056.db2.gz ORHRWVUUGDHMRM-URLQWDBASA-N 2 1 313.445 3.382 20 0 DGADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309973102 434099795 /nfs/dbraw/zinc/09/97/95/434099795.db2.gz OVBWNASZMWOFQA-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000340393832 434102452 /nfs/dbraw/zinc/10/24/52/434102452.db2.gz HGZSLVHAJHSBST-IKGGRYGDSA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000340393832 434102458 /nfs/dbraw/zinc/10/24/58/434102458.db2.gz HGZSLVHAJHSBST-IKGGRYGDSA-N 2 1 312.498 3.207 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000459476880 293977954 /nfs/dbraw/zinc/97/79/54/293977954.db2.gz HPSRCPBYEKNEEK-IEBWSBKVSA-N 2 1 300.446 3.123 20 0 DGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000340421163 434122786 /nfs/dbraw/zinc/12/27/86/434122786.db2.gz VDZCKOMWGXBFDM-UHFFFAOYSA-N 2 1 308.809 3.163 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1Cl ZINC000422918415 434109820 /nfs/dbraw/zinc/10/98/20/434109820.db2.gz HZHCQLXONDVIEC-NEPJUHHUSA-N 2 1 305.809 3.266 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3=CCCCC3)CC2)C[C@H](C)O1 ZINC000450343272 434114801 /nfs/dbraw/zinc/11/48/01/434114801.db2.gz WYEJZFXTAPPWCS-CALCHBBNSA-N 2 1 306.494 3.308 20 0 DGADMP C[C@@H]([NH2+][C@@H](COc1ccccc1F)c1ccccc1)C1C[NH2+]C1 ZINC000422933494 434116858 /nfs/dbraw/zinc/11/68/58/434116858.db2.gz HVXCCHQZAPBCTC-KDOFPFPSSA-N 2 1 314.404 3.143 20 0 DGADMP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000357656984 434117322 /nfs/dbraw/zinc/11/73/22/434117322.db2.gz QIGUDVWNMFKAND-MRXNPFEDSA-N 2 1 309.523 3.159 20 0 DGADMP C[C@H]([NH2+][C@H](COc1ccccc1F)c1ccccc1)C1C[NH2+]C1 ZINC000422933493 434117472 /nfs/dbraw/zinc/11/74/72/434117472.db2.gz HVXCCHQZAPBCTC-KBXCAEBGSA-N 2 1 314.404 3.143 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)[C@@H](C)C1 ZINC000499233406 294081339 /nfs/dbraw/zinc/08/13/39/294081339.db2.gz JVGQLPXZENKNFX-LPHOPBHVSA-N 2 1 322.468 3.095 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2OC)C[C@@H]1C ZINC000505602845 294244957 /nfs/dbraw/zinc/24/49/57/294244957.db2.gz AICBCDAOAGBCHH-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2OC)C[C@@H]1C ZINC000505602845 294244958 /nfs/dbraw/zinc/24/49/58/294244958.db2.gz AICBCDAOAGBCHH-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2OC)C[C@@H]1C ZINC000505602845 294244959 /nfs/dbraw/zinc/24/49/59/294244959.db2.gz AICBCDAOAGBCHH-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP c1coc(CC[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000507481474 294300937 /nfs/dbraw/zinc/30/09/37/294300937.db2.gz CWBHJJKBDBMXOZ-IHPCNDPISA-N 2 1 310.441 3.322 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508697693 294330917 /nfs/dbraw/zinc/33/09/17/294330917.db2.gz MSVOADYUKIKLIJ-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508697693 294330919 /nfs/dbraw/zinc/33/09/19/294330919.db2.gz MSVOADYUKIKLIJ-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508697693 294330920 /nfs/dbraw/zinc/33/09/20/294330920.db2.gz MSVOADYUKIKLIJ-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000509924666 294368669 /nfs/dbraw/zinc/36/86/69/294368669.db2.gz COFMBEAUTZAIGV-BLXZHSKZSA-N 2 1 314.473 3.453 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000509924666 294368671 /nfs/dbraw/zinc/36/86/71/294368671.db2.gz COFMBEAUTZAIGV-BLXZHSKZSA-N 2 1 314.473 3.453 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000510117493 294375026 /nfs/dbraw/zinc/37/50/26/294375026.db2.gz GCCKWHKZOGMTNO-JKSUJKDBSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000510117493 294375029 /nfs/dbraw/zinc/37/50/29/294375029.db2.gz GCCKWHKZOGMTNO-JKSUJKDBSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510159764 294376692 /nfs/dbraw/zinc/37/66/92/294376692.db2.gz MQSXJNACRPRJSS-VVLHAWIVSA-N 2 1 304.478 3.279 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510159764 294376694 /nfs/dbraw/zinc/37/66/94/294376694.db2.gz MQSXJNACRPRJSS-VVLHAWIVSA-N 2 1 304.478 3.279 20 0 DGADMP COc1cccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000378291423 434133542 /nfs/dbraw/zinc/13/35/42/434133542.db2.gz HZXMQGMORFUPOA-UHFFFAOYSA-N 2 1 311.429 3.191 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340443615 434136736 /nfs/dbraw/zinc/13/67/36/434136736.db2.gz YNZXMYCAXXDFKQ-LPHOPBHVSA-N 2 1 313.445 3.471 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422976975 434147177 /nfs/dbraw/zinc/14/71/77/434147177.db2.gz FFFNDHTXBRFYAB-MNEFBYGVSA-N 2 1 302.462 3.058 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000353470156 434155509 /nfs/dbraw/zinc/15/55/09/434155509.db2.gz CZAJUHSSZKDGTP-AWEZNQCLSA-N 2 1 319.474 3.233 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422996200 434156028 /nfs/dbraw/zinc/15/60/28/434156028.db2.gz LHFSTQIMLDATJU-RLLQIKCJSA-N 2 1 317.521 3.045 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998423 434156786 /nfs/dbraw/zinc/15/67/86/434156786.db2.gz CQLKRFYNQQFMTF-XEYPJELSSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998423 434156795 /nfs/dbraw/zinc/15/67/95/434156795.db2.gz CQLKRFYNQQFMTF-XEYPJELSSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998423 434156798 /nfs/dbraw/zinc/15/67/98/434156798.db2.gz CQLKRFYNQQFMTF-XEYPJELSSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422997610 434158276 /nfs/dbraw/zinc/15/82/76/434158276.db2.gz ONXRSRCUDZPKHU-YDZRNGNQSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340497076 434162520 /nfs/dbraw/zinc/16/25/20/434162520.db2.gz GOCQSLVQTWRYBJ-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340497073 434163277 /nfs/dbraw/zinc/16/32/77/434163277.db2.gz GOCQSLVQTWRYBJ-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP c1cc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cs1 ZINC000315314852 434165127 /nfs/dbraw/zinc/16/51/27/434165127.db2.gz ZGSWBYHXEPBZBZ-BETUJISGSA-N 2 1 319.499 3.303 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000340500338 434165137 /nfs/dbraw/zinc/16/51/37/434165137.db2.gz GFEKOXCUGGCDEC-CSODTCANSA-N 2 1 316.489 3.179 20 0 DGADMP CCc1cc(N2CCC(CCC[N@@H+](C)CCOC)CC2)cc[nH+]1 ZINC000450424679 434170022 /nfs/dbraw/zinc/17/00/22/434170022.db2.gz ZUNDYVZJTZEIBV-UHFFFAOYSA-N 2 1 319.493 3.219 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353495447 434174761 /nfs/dbraw/zinc/17/47/61/434174761.db2.gz NXQYKKWHRUTQET-AWEZNQCLSA-N 2 1 324.538 3.130 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353495447 434174772 /nfs/dbraw/zinc/17/47/72/434174772.db2.gz NXQYKKWHRUTQET-AWEZNQCLSA-N 2 1 324.538 3.130 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000423034294 434176548 /nfs/dbraw/zinc/17/65/48/434176548.db2.gz PRYDBQKZPGBFRL-AKHDSKFASA-N 3 1 307.526 3.151 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCC1 ZINC000423035111 434176762 /nfs/dbraw/zinc/17/67/62/434176762.db2.gz IWLIIBCJAZXGIM-WBVHZDCISA-N 2 1 302.462 3.237 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCC1 ZINC000423035109 434177360 /nfs/dbraw/zinc/17/73/60/434177360.db2.gz IWLIIBCJAZXGIM-NVXWUHKLSA-N 2 1 302.462 3.237 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423039182 434183171 /nfs/dbraw/zinc/18/31/71/434183171.db2.gz DVMHRXNTKZSDJG-ZWKOTPCHSA-N 2 1 301.478 3.427 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423047084 434186400 /nfs/dbraw/zinc/18/64/00/434186400.db2.gz USFRYRANDWEKEW-SLEUVZQESA-N 2 1 300.368 3.367 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423047087 434189224 /nfs/dbraw/zinc/18/92/24/434189224.db2.gz USFRYRANDWEKEW-YWPYICTPSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@H]([NH2+]CCCCc1ccc(F)c(F)c1)c1c[nH+]ccc1N ZINC000423049970 434190639 /nfs/dbraw/zinc/19/06/39/434190639.db2.gz KNSAAEYDMZUSEG-LBPRGKRZSA-N 2 1 305.372 3.446 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357801286 434190879 /nfs/dbraw/zinc/19/08/79/434190879.db2.gz UUVZTCQTAFZXSE-QZTJIDSGSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357801286 434190896 /nfs/dbraw/zinc/19/08/96/434190896.db2.gz UUVZTCQTAFZXSE-QZTJIDSGSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357801286 434190902 /nfs/dbraw/zinc/19/09/02/434190902.db2.gz UUVZTCQTAFZXSE-QZTJIDSGSA-N 2 1 312.461 3.158 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286196872 434193350 /nfs/dbraw/zinc/19/33/50/434193350.db2.gz XSTLXLBWNJVNQH-AQNXPRMDSA-N 2 1 316.489 3.223 20 0 DGADMP Brc1cccc(C[C@@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423057222 434193734 /nfs/dbraw/zinc/19/37/34/434193734.db2.gz YUOYSYSSUXIMCJ-HZPDHXFCSA-N 2 1 323.278 3.112 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])OC(C)C ZINC000423052781 434194683 /nfs/dbraw/zinc/19/46/83/434194683.db2.gz QMCASCNGOFDBQJ-LMMKCTJWSA-N 2 1 320.477 3.411 20 0 DGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061526 434198691 /nfs/dbraw/zinc/19/86/91/434198691.db2.gz RBMKZYOEVZTHMT-SWLSCSKDSA-N 2 1 312.379 3.325 20 0 DGADMP CCC1(CC)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423068962 434203066 /nfs/dbraw/zinc/20/30/66/434203066.db2.gz KYJUVHZSEIQQOZ-KZNAEPCWSA-N 2 1 308.510 3.482 20 0 DGADMP c1cc2c(nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000423072407 434203277 /nfs/dbraw/zinc/20/32/77/434203277.db2.gz HEWKKKNLXFXFRU-YSIASYRMSA-N 2 1 313.489 3.361 20 0 DGADMP CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000423068207 434203758 /nfs/dbraw/zinc/20/37/58/434203758.db2.gz BDUUBYNJKLWISN-MDNKFWRPSA-N 2 1 318.505 3.127 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccccc2)OC)C[C@@H]1C ZINC000450465064 434205092 /nfs/dbraw/zinc/20/50/92/434205092.db2.gz CZMKZOCIVAEMDL-YTQUADARSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccccc2)OC)C[C@@H]1C ZINC000450465064 434205100 /nfs/dbraw/zinc/20/51/00/434205100.db2.gz CZMKZOCIVAEMDL-YTQUADARSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccccc2)OC)C[C@@H]1C ZINC000450465064 434205107 /nfs/dbraw/zinc/20/51/07/434205107.db2.gz CZMKZOCIVAEMDL-YTQUADARSA-N 2 1 304.478 3.049 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000423085340 434206589 /nfs/dbraw/zinc/20/65/89/434206589.db2.gz KGFNMLGQWFFUAV-MGPUTAFESA-N 2 1 305.425 3.283 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423076860 434209571 /nfs/dbraw/zinc/20/95/71/434209571.db2.gz RZJPPCYXGHOLRV-NVXWUHKLSA-N 2 1 301.478 3.361 20 0 DGADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423081508 434209594 /nfs/dbraw/zinc/20/95/94/434209594.db2.gz VBCSHDZGUFDCKC-NOOVBMIQSA-N 2 1 324.468 3.351 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353543266 434213020 /nfs/dbraw/zinc/21/30/20/434213020.db2.gz BBGKKHGCSQNYGL-IAGOWNOFSA-N 2 1 324.509 3.210 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccn2)[C@H](C)C1 ZINC000286270853 434215787 /nfs/dbraw/zinc/21/57/87/434215787.db2.gz VIWPDVHHOKDDQI-KURKYZTESA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccn2)[C@H](C)C1 ZINC000286270853 434215797 /nfs/dbraw/zinc/21/57/97/434215797.db2.gz VIWPDVHHOKDDQI-KURKYZTESA-N 2 1 319.493 3.178 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000340500341 434167579 /nfs/dbraw/zinc/16/75/79/434167579.db2.gz GFEKOXCUGGCDEC-WZOJCFFYSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000423011114 434167746 /nfs/dbraw/zinc/16/77/46/434167746.db2.gz ZAEOAINWZXOQGZ-IPMKNSEASA-N 3 1 309.542 3.396 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000353573022 434240227 /nfs/dbraw/zinc/24/02/27/434240227.db2.gz JSUMLGZSZYGMQC-YSTOQKLRSA-N 2 1 316.489 3.412 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138728 434242510 /nfs/dbraw/zinc/24/25/10/434242510.db2.gz JXGXKKRPWZOSEK-YQVWRLOYSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423138728 434242522 /nfs/dbraw/zinc/24/25/22/434242522.db2.gz JXGXKKRPWZOSEK-YQVWRLOYSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138728 434242531 /nfs/dbraw/zinc/24/25/31/434242531.db2.gz JXGXKKRPWZOSEK-YQVWRLOYSA-N 3 1 303.494 3.004 20 0 DGADMP FC(F)(F)Oc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000321058754 434247192 /nfs/dbraw/zinc/24/71/92/434247192.db2.gz YQONKHPAEMTWOV-BETUJISGSA-N 2 1 314.351 3.017 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000320979178 434247236 /nfs/dbraw/zinc/24/72/36/434247236.db2.gz PKRKZUGLGKOYJJ-HDICACEKSA-N 2 1 302.462 3.004 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000353583583 434248415 /nfs/dbraw/zinc/24/84/15/434248415.db2.gz YYOBOBIZCNZRHO-HUUCEWRRSA-N 2 1 302.466 3.202 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000353583583 434248421 /nfs/dbraw/zinc/24/84/21/434248421.db2.gz YYOBOBIZCNZRHO-HUUCEWRRSA-N 2 1 302.466 3.202 20 0 DGADMP C[C@@H]([NH2+]CCc1cccc(Br)c1)c1c[nH+]ccc1N ZINC000423157574 434250949 /nfs/dbraw/zinc/25/09/49/434250949.db2.gz BEURMXNNUHJUAB-LLVKDONJSA-N 2 1 320.234 3.150 20 0 DGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423155057 434254135 /nfs/dbraw/zinc/25/41/35/434254135.db2.gz ISRGFHWHEQLDED-MGPQQGTHSA-N 2 1 313.367 3.111 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423152820 434254196 /nfs/dbraw/zinc/25/41/96/434254196.db2.gz MNCCVEVKLKVZDX-OALUTQOASA-N 3 1 315.505 3.291 20 0 DGADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423152820 434254212 /nfs/dbraw/zinc/25/42/12/434254212.db2.gz MNCCVEVKLKVZDX-OALUTQOASA-N 3 1 315.505 3.291 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](C)CCO)cc1 ZINC000295201714 434255254 /nfs/dbraw/zinc/25/52/54/434255254.db2.gz YTNMARZBRKAPDV-LSDHHAIUSA-N 2 1 301.434 3.240 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000379633403 434256274 /nfs/dbraw/zinc/25/62/74/434256274.db2.gz UHRRZYPMQZPMIH-NBYUQASBSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000379633403 434256285 /nfs/dbraw/zinc/25/62/85/434256285.db2.gz UHRRZYPMQZPMIH-NBYUQASBSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636740 434256850 /nfs/dbraw/zinc/25/68/50/434256850.db2.gz XUQHBMATIUYVFQ-VBSBHUPXSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379636740 434256858 /nfs/dbraw/zinc/25/68/58/434256858.db2.gz XUQHBMATIUYVFQ-VBSBHUPXSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379638617 434260135 /nfs/dbraw/zinc/26/01/35/434260135.db2.gz URERSDLNODSCNT-SJLPKXTDSA-N 2 1 304.478 3.444 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCCCC2 ZINC000322819340 434262036 /nfs/dbraw/zinc/26/20/36/434262036.db2.gz BTABZTDWZCCERP-FVAVCCDCSA-N 2 1 306.494 3.329 20 0 DGADMP Clc1c(Br)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423169935 434262522 /nfs/dbraw/zinc/26/25/22/434262522.db2.gz KNNCCTOUIOSKAE-NSHDSACASA-N 2 1 317.658 3.334 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCCCC2 ZINC000322819343 434262831 /nfs/dbraw/zinc/26/28/31/434262831.db2.gz BTABZTDWZCCERP-KKGYMGPXSA-N 2 1 306.494 3.329 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423182145 434268804 /nfs/dbraw/zinc/26/88/04/434268804.db2.gz PXNNGSCQELHBBP-HNNXBMFYSA-N 2 1 306.450 3.024 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111309 434225709 /nfs/dbraw/zinc/22/57/09/434225709.db2.gz ISHBJZWGTMKUQW-LZLYRXPVSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423111309 434225720 /nfs/dbraw/zinc/22/57/20/434225720.db2.gz ISHBJZWGTMKUQW-LZLYRXPVSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423114029 434227181 /nfs/dbraw/zinc/22/71/81/434227181.db2.gz ZTSCIOCQUFJGTO-GXTWGEPZSA-N 2 1 313.392 3.083 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114004 434227944 /nfs/dbraw/zinc/22/79/44/434227944.db2.gz ZQTXYSASBDWRDR-JKIFEVAISA-N 2 1 311.901 3.438 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114004 434227954 /nfs/dbraw/zinc/22/79/54/434227954.db2.gz ZQTXYSASBDWRDR-JKIFEVAISA-N 2 1 311.901 3.438 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423119047 434228859 /nfs/dbraw/zinc/22/88/59/434228859.db2.gz CXVTUMULUUUYOJ-DOTOQJQBSA-N 2 1 319.493 3.374 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3c[nH+]ccc3N)C2)cc1F ZINC000423116397 434229583 /nfs/dbraw/zinc/22/95/83/434229583.db2.gz PRSLOBRKZRQLTF-UBHSHLNASA-N 2 1 315.392 3.239 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000423123963 434233112 /nfs/dbraw/zinc/23/31/12/434233112.db2.gz NSODBQNISLGRIQ-LNLFQRSKSA-N 2 1 308.425 3.246 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423199638 434280721 /nfs/dbraw/zinc/28/07/21/434280721.db2.gz KGHVYHWNPCRNJO-CQSZACIVSA-N 2 1 315.230 3.238 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423276414 434333423 /nfs/dbraw/zinc/33/34/23/434333423.db2.gz OKDKKYGOOVEGMN-QWHCGFSZSA-N 2 1 320.868 3.340 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000286679135 434287494 /nfs/dbraw/zinc/28/74/94/434287494.db2.gz AUTIKHMAJKZRHZ-GOSISDBHSA-N 2 1 324.896 3.048 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(Cl)cc1 ZINC000450604418 434289641 /nfs/dbraw/zinc/28/96/41/434289641.db2.gz WGDXIZKPBADMEG-FGTMMUONSA-N 2 1 322.880 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384956444 434295418 /nfs/dbraw/zinc/29/54/18/434295418.db2.gz RVNPGRMAUJCTHB-JYBIWHBTSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348403136 434303284 /nfs/dbraw/zinc/30/32/84/434303284.db2.gz CPAGORCNHJTIDU-DSLXNQLJSA-N 2 1 302.462 3.054 20 0 DGADMP CSCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000340690483 434304969 /nfs/dbraw/zinc/30/49/69/434304969.db2.gz GBBLLGLWWANREZ-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP CSCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000340690483 434304980 /nfs/dbraw/zinc/30/49/80/434304980.db2.gz GBBLLGLWWANREZ-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP CSCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000340690483 434304989 /nfs/dbraw/zinc/30/49/89/434304989.db2.gz GBBLLGLWWANREZ-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423245351 434311617 /nfs/dbraw/zinc/31/16/17/434311617.db2.gz ORJIQESDYJWADA-UCLAIMLFSA-N 2 1 301.478 3.025 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@@H+]1Cc1ccccc1 ZINC000358064417 434313284 /nfs/dbraw/zinc/31/32/84/434313284.db2.gz QKTLJOZHQIKADI-NVXWUHKLSA-N 2 1 315.486 3.328 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@H+]1Cc1ccccc1 ZINC000358064417 434313293 /nfs/dbraw/zinc/31/32/93/434313293.db2.gz QKTLJOZHQIKADI-NVXWUHKLSA-N 2 1 315.486 3.328 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccnc2N)CC1)CC(C)C ZINC000450648607 434313734 /nfs/dbraw/zinc/31/37/34/434313734.db2.gz KJOBINNJYVAYGS-UHFFFAOYSA-N 2 1 318.509 3.244 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Br)c1)C[NH+](C)C ZINC000386538858 434314142 /nfs/dbraw/zinc/31/41/42/434314142.db2.gz QVTPLIZYMWSHJN-GHMZBOCLSA-N 2 1 317.246 3.437 20 0 DGADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262218 434322031 /nfs/dbraw/zinc/32/20/31/434322031.db2.gz MAPBOTQTSAAXKC-YSTOQKLRSA-N 2 1 315.505 3.145 20 0 DGADMP C[C@H]1C[C@H](NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383612 434323199 /nfs/dbraw/zinc/32/31/99/434323199.db2.gz JLGBPRFACVOOOU-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383612 434323206 /nfs/dbraw/zinc/32/32/06/434323206.db2.gz JLGBPRFACVOOOU-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383612 434323213 /nfs/dbraw/zinc/32/32/13/434323213.db2.gz JLGBPRFACVOOOU-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383612 434323228 /nfs/dbraw/zinc/32/32/28/434323228.db2.gz JLGBPRFACVOOOU-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000423268235 434323894 /nfs/dbraw/zinc/32/38/94/434323894.db2.gz UNHOBZISOSQRPO-CGTJXYLNSA-N 2 1 324.509 3.386 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000423263156 434325670 /nfs/dbraw/zinc/32/56/70/434325670.db2.gz NYFLDMYTCMJTIK-BBRMVZONSA-N 2 1 304.434 3.016 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423262432 434325724 /nfs/dbraw/zinc/32/57/24/434325724.db2.gz MMOZCCHJTWDZJC-AHRSYUTCSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366076578 434327850 /nfs/dbraw/zinc/32/78/50/434327850.db2.gz ZMNFWAPBIXIPKU-BDXSIMOUSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000366076578 434327858 /nfs/dbraw/zinc/32/78/58/434327858.db2.gz ZMNFWAPBIXIPKU-BDXSIMOUSA-N 2 1 318.509 3.156 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423274809 434332076 /nfs/dbraw/zinc/33/20/76/434332076.db2.gz MNOXLRJLIYZCIN-TVQRCGJNSA-N 2 1 303.219 3.222 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000366221348 434361957 /nfs/dbraw/zinc/36/19/57/434361957.db2.gz JBBWECWJQUJGBR-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423327975 434362667 /nfs/dbraw/zinc/36/26/67/434362667.db2.gz RSYJYYJEVPBORM-MLGOLLRUSA-N 2 1 315.486 3.430 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)C[NH3+])CCC3)cc1 ZINC000423326782 434363347 /nfs/dbraw/zinc/36/33/47/434363347.db2.gz MYDYAAFIVPVDHI-OCCSQVGLSA-N 2 1 301.459 3.433 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000423378058 434391446 /nfs/dbraw/zinc/39/14/46/434391446.db2.gz MBCNCHTVZHVMRO-WOPDTQHZSA-N 2 1 312.841 3.148 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390627593 434364612 /nfs/dbraw/zinc/36/46/12/434364612.db2.gz DLJMCWAERRIBER-MJGOQNOKSA-N 3 1 317.521 3.394 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390627593 434364619 /nfs/dbraw/zinc/36/46/19/434364619.db2.gz DLJMCWAERRIBER-MJGOQNOKSA-N 3 1 317.521 3.394 20 0 DGADMP CSc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000366230189 434366710 /nfs/dbraw/zinc/36/67/10/434366710.db2.gz CAYBSUFPCQGNKM-NWANDNLSSA-N 2 1 324.465 3.061 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000366230189 434366719 /nfs/dbraw/zinc/36/67/19/434366719.db2.gz CAYBSUFPCQGNKM-NWANDNLSSA-N 2 1 324.465 3.061 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C1CC1 ZINC000423336015 434369066 /nfs/dbraw/zinc/36/90/66/434369066.db2.gz XPNLDLYEZKVJCI-ROUUACIJSA-N 2 1 315.848 3.346 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C1CC1 ZINC000423336016 434370009 /nfs/dbraw/zinc/37/00/09/434370009.db2.gz XPNLDLYEZKVJCI-ZWKOTPCHSA-N 2 1 315.848 3.346 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c(Br)cccc32)CCC1 ZINC000423339009 434370959 /nfs/dbraw/zinc/37/09/59/434370959.db2.gz WFOYTMVKMPHSKL-AWEZNQCLSA-N 2 1 309.251 3.298 20 0 DGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423339722 434371214 /nfs/dbraw/zinc/37/12/14/434371214.db2.gz ZNEKNUFBJHUULN-VQTJNVASSA-N 2 1 310.441 3.306 20 0 DGADMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390885564 434377129 /nfs/dbraw/zinc/37/71/29/434377129.db2.gz BOVAOOAEFFOQIG-ZWKOTPCHSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390885564 434377136 /nfs/dbraw/zinc/37/71/36/434377136.db2.gz BOVAOOAEFFOQIG-ZWKOTPCHSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)c(F)c1 ZINC000423363304 434384230 /nfs/dbraw/zinc/38/42/30/434384230.db2.gz NXEHBLUFTZIGLH-CMPLNLGQSA-N 2 1 315.230 3.381 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423366485 434385089 /nfs/dbraw/zinc/38/50/89/434385089.db2.gz LQMGSWDPCXNOGF-ADEKHHIBSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423369875 434386640 /nfs/dbraw/zinc/38/66/40/434386640.db2.gz CHLNFZOCLLHVCN-VHBXLISGSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370512 434387504 /nfs/dbraw/zinc/38/75/04/434387504.db2.gz GXGURYFNUDNLLC-WQUXRXDGSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423370512 434387515 /nfs/dbraw/zinc/38/75/15/434387515.db2.gz GXGURYFNUDNLLC-WQUXRXDGSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370512 434387524 /nfs/dbraw/zinc/38/75/24/434387524.db2.gz GXGURYFNUDNLLC-WQUXRXDGSA-N 3 1 315.505 3.160 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423280363 434341379 /nfs/dbraw/zinc/34/13/79/434341379.db2.gz TYEUXTBXLCNAMW-PBHICJAKSA-N 2 1 320.481 3.194 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150415 434346450 /nfs/dbraw/zinc/34/64/50/434346450.db2.gz DGIVFVRKEJQOHB-UONOGXRCSA-N 2 1 307.507 3.357 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423288279 434346945 /nfs/dbraw/zinc/34/69/45/434346945.db2.gz RKVKZRJCMIFPDL-LBPRGKRZSA-N 2 1 317.658 3.417 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000287387503 434349427 /nfs/dbraw/zinc/34/94/27/434349427.db2.gz INRYGJJNHCOXME-ACBHZAAOSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000287387503 434349440 /nfs/dbraw/zinc/34/94/40/434349440.db2.gz INRYGJJNHCOXME-ACBHZAAOSA-N 2 1 316.489 3.180 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000423299425 434349595 /nfs/dbraw/zinc/34/95/95/434349595.db2.gz QESSPXFRRRAYCJ-JLSDUUJJSA-N 2 1 318.461 3.275 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000423296996 434349774 /nfs/dbraw/zinc/34/97/74/434349774.db2.gz IHTUINUBLBNCMN-YSTOQKLRSA-N 3 1 315.505 3.004 20 0 DGADMP Cc1nc(C)c(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000340773549 434350260 /nfs/dbraw/zinc/35/02/60/434350260.db2.gz IQHVQNYGHPEGIV-CRAIPNDOSA-N 2 1 310.445 3.477 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423299147 434351184 /nfs/dbraw/zinc/35/11/84/434351184.db2.gz PJJCHFNJBFBIBX-XJKSGUPXSA-N 2 1 305.422 3.338 20 0 DGADMP CCCC[C@@H](C[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423300216 434351457 /nfs/dbraw/zinc/35/14/57/434351457.db2.gz RFLUTDZOZSAZHG-HAGHYFMRSA-N 2 1 315.505 3.289 20 0 DGADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2ccccc2c1OC(F)F ZINC000423309447 434355434 /nfs/dbraw/zinc/35/54/34/434355434.db2.gz ZUSFNMLBSVTYEH-LLVKDONJSA-N 2 1 306.356 3.311 20 0 DGADMP Clc1ccccc1C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccsc1 ZINC000423313588 434355747 /nfs/dbraw/zinc/35/57/47/434355747.db2.gz FXUGUEAZUUCXMT-MRXNPFEDSA-N 2 1 306.862 3.494 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423321985 434360326 /nfs/dbraw/zinc/36/03/26/434360326.db2.gz GSHPPDIKCCWPLV-ZBEGNZNMSA-N 2 1 316.367 3.467 20 0 DGADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423322140 434360751 /nfs/dbraw/zinc/36/07/51/434360751.db2.gz NPZLZANIFNNPQH-ZIAGYGMSSA-N 2 1 309.251 3.072 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC000353749527 434398455 /nfs/dbraw/zinc/39/84/55/434398455.db2.gz LPLVRKSNTMSLAV-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC000353749527 434398465 /nfs/dbraw/zinc/39/84/65/434398465.db2.gz LPLVRKSNTMSLAV-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC000353749527 434398477 /nfs/dbraw/zinc/39/84/77/434398477.db2.gz LPLVRKSNTMSLAV-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752283 434401348 /nfs/dbraw/zinc/40/13/48/434401348.db2.gz RWDKNXGFSDZOJE-WCQYABFASA-N 2 1 300.368 3.409 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000353753498 434401601 /nfs/dbraw/zinc/40/16/01/434401601.db2.gz XATUKHUTIXFZTH-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000353753498 434401612 /nfs/dbraw/zinc/40/16/12/434401612.db2.gz XATUKHUTIXFZTH-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000353753498 434401619 /nfs/dbraw/zinc/40/16/19/434401619.db2.gz XATUKHUTIXFZTH-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000353753498 434401624 /nfs/dbraw/zinc/40/16/24/434401624.db2.gz XATUKHUTIXFZTH-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000358659516 434401981 /nfs/dbraw/zinc/40/19/81/434401981.db2.gz FMGUCVYYEYDKOK-NEPXVJNWSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@]2(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358656228 434402302 /nfs/dbraw/zinc/40/23/02/434402302.db2.gz XJWDLWLSRNFOFH-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@]2(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358656228 434402309 /nfs/dbraw/zinc/40/23/09/434402309.db2.gz XJWDLWLSRNFOFH-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP Fc1cccc(C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(F)c2)c1 ZINC000423429759 434418979 /nfs/dbraw/zinc/41/89/79/434418979.db2.gz KNWYIMCPZDDKNB-ZSYWTGECSA-N 2 1 314.379 3.056 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772165 434420986 /nfs/dbraw/zinc/42/09/86/434420986.db2.gz ZLYWLQUIKRGTMO-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772165 434420998 /nfs/dbraw/zinc/42/09/98/434420998.db2.gz ZLYWLQUIKRGTMO-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772165 434421004 /nfs/dbraw/zinc/42/10/04/434421004.db2.gz ZLYWLQUIKRGTMO-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772165 434421016 /nfs/dbraw/zinc/42/10/16/434421016.db2.gz ZLYWLQUIKRGTMO-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP C[NH+](C)C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCCCC1 ZINC000396318081 434422365 /nfs/dbraw/zinc/42/23/65/434422365.db2.gz ABEFFRIBBFRVIU-UHFFFAOYSA-N 2 1 322.415 3.077 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423449520 434427202 /nfs/dbraw/zinc/42/72/02/434427202.db2.gz GEUMCQYSDIKCNZ-AFYVEPGGSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423449520 434427209 /nfs/dbraw/zinc/42/72/09/434427209.db2.gz GEUMCQYSDIKCNZ-AFYVEPGGSA-N 2 1 315.505 3.147 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000396791954 434428210 /nfs/dbraw/zinc/42/82/10/434428210.db2.gz LHZCDVODVRZFLW-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000396791954 434428217 /nfs/dbraw/zinc/42/82/17/434428217.db2.gz LHZCDVODVRZFLW-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423459131 434432555 /nfs/dbraw/zinc/43/25/55/434432555.db2.gz HRXRJJUUCAAJCQ-JOYOIKCWSA-N 2 1 303.269 3.289 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423458397 434433815 /nfs/dbraw/zinc/43/38/15/434433815.db2.gz GUWYGYQLZAOMBR-PKOBYXMFSA-N 2 1 316.420 3.445 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1Cl ZINC000520564827 294834051 /nfs/dbraw/zinc/83/40/51/294834051.db2.gz CLKZMLGRIJBOIQ-GFCCVEGCSA-N 2 1 314.857 3.396 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423468679 434435439 /nfs/dbraw/zinc/43/54/39/434435439.db2.gz FNBUWKIMIYZOLR-LRDDRELGSA-N 2 1 319.399 3.380 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000423465014 434435689 /nfs/dbraw/zinc/43/56/89/434435689.db2.gz MIUYIVUAVINBBC-RNCFNFMXSA-N 2 1 317.658 3.417 20 0 DGADMP COC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(C(F)(F)F)c1 ZINC000520792893 294844424 /nfs/dbraw/zinc/84/44/24/294844424.db2.gz VCCIZQAYFJDJEO-HNNXBMFYSA-N 2 1 318.383 3.371 20 0 DGADMP CC[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423474577 434441825 /nfs/dbraw/zinc/44/18/25/434441825.db2.gz RIMCXXVUUXEKJC-FUMNGEBKSA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C(C)C)COC1 ZINC000359991604 434465366 /nfs/dbraw/zinc/46/53/66/434465366.db2.gz JCIBDQZPNMVBJQ-HDICACEKSA-N 2 1 308.510 3.244 20 0 DGADMP CC(C)[C@H]1CCC[N@H+]1CC1(C[NH+]2CCC[C@H]2C(C)C)COC1 ZINC000359991604 434465372 /nfs/dbraw/zinc/46/53/72/434465372.db2.gz JCIBDQZPNMVBJQ-HDICACEKSA-N 2 1 308.510 3.244 20 0 DGADMP COC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(Cl)c1F ZINC000287866435 434468295 /nfs/dbraw/zinc/46/82/95/434468295.db2.gz XROZXFAUHNGITF-HNNXBMFYSA-N 2 1 312.816 3.018 20 0 DGADMP COC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000287866435 434468301 /nfs/dbraw/zinc/46/83/01/434468301.db2.gz XROZXFAUHNGITF-HNNXBMFYSA-N 2 1 312.816 3.018 20 0 DGADMP C[C@@H]([N@@H+](C)CC1(C[NH+](C)[C@@H](C)C2(C)CC2)COC1)C1(C)CC1 ZINC000360027756 434483976 /nfs/dbraw/zinc/48/39/76/434483976.db2.gz OHTWATWPXLOWBC-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]([NH+](C)CC1(C[N@H+](C)[C@@H](C)C2(C)CC2)COC1)C1(C)CC1 ZINC000360027756 434484007 /nfs/dbraw/zinc/48/40/07/434484007.db2.gz OHTWATWPXLOWBC-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]([NH+](C)CC1(C[N@@H+](C)[C@@H](C)C2(C)CC2)COC1)C1(C)CC1 ZINC000360027756 434484015 /nfs/dbraw/zinc/48/40/15/434484015.db2.gz OHTWATWPXLOWBC-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)cc1F ZINC000423564681 434488792 /nfs/dbraw/zinc/48/87/92/434488792.db2.gz SAFKYHYZNVEEQW-JTQLQIEISA-N 2 1 315.230 3.381 20 0 DGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736804 434489688 /nfs/dbraw/zinc/48/96/88/434489688.db2.gz RWIFHQJSPSCLRX-IHPCNDPISA-N 2 1 315.505 3.019 20 0 DGADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423569238 434489843 /nfs/dbraw/zinc/48/98/43/434489843.db2.gz VWNMTUXHUWXQEB-SFHVURJKSA-N 2 1 300.446 3.121 20 0 DGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423487564 434451055 /nfs/dbraw/zinc/45/10/55/434451055.db2.gz CSCGARGICMZPLM-MJGOQNOKSA-N 2 1 302.462 3.156 20 0 DGADMP Clc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423491082 434453704 /nfs/dbraw/zinc/45/37/04/434453704.db2.gz JBTAQVLKFWLZLU-IRXDYDNUSA-N 2 1 308.853 3.149 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000404290749 434510502 /nfs/dbraw/zinc/51/05/02/434510502.db2.gz KVEHSBTWMDWCTN-ZWNOBZJWSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000404290749 434510505 /nfs/dbraw/zinc/51/05/05/434510505.db2.gz KVEHSBTWMDWCTN-ZWNOBZJWSA-N 2 1 317.296 3.460 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C)C[C@H]1C ZINC000438818625 434531121 /nfs/dbraw/zinc/53/11/21/434531121.db2.gz JNASUGILXQLJCD-IAGOWNOFSA-N 2 1 317.477 3.128 20 0 DGADMP CC(C)[C@H](O)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438834931 434535818 /nfs/dbraw/zinc/53/58/18/434535818.db2.gz LGGGMFLQNRVNQU-SOAGJPPSSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000417880964 434540553 /nfs/dbraw/zinc/54/05/53/434540553.db2.gz QSJBBUNXILBUTM-GJZGRUSLSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000417880964 434540557 /nfs/dbraw/zinc/54/05/57/434540557.db2.gz QSJBBUNXILBUTM-GJZGRUSLSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@@H](C1CCC1)[NH+](C)CC1(C[N@H+](C)[C@@H](C)C2CCC2)COC1 ZINC000360211393 434548189 /nfs/dbraw/zinc/54/81/89/434548189.db2.gz DBOCBHHUPPKFJM-HOTGVXAUSA-N 2 1 308.510 3.244 20 0 DGADMP CC[N@@H+](CCC(C)(C)C(=O)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000348960348 434566072 /nfs/dbraw/zinc/56/60/72/434566072.db2.gz BNKPNVQYFZVMDA-UHFFFAOYSA-N 2 1 320.477 3.159 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000459377912 434573025 /nfs/dbraw/zinc/57/30/25/434573025.db2.gz YGQFSHMFMAVGJT-UHFFFAOYSA-N 2 1 309.335 3.260 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527797060 295132239 /nfs/dbraw/zinc/13/22/39/295132239.db2.gz CARLZAXFSZZJAN-JKSUJKDBSA-N 2 1 315.436 3.374 20 0 DGADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000527799812 295132736 /nfs/dbraw/zinc/13/27/36/295132736.db2.gz NDHVXRNUXKVLHG-MOPGFXCFSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H]1SC ZINC000459384425 434574216 /nfs/dbraw/zinc/57/42/16/434574216.db2.gz WAFAMUPPYOYMDD-BRWVUGGUSA-N 2 1 314.539 3.140 20 0 DGADMP C[C@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459397987 434576197 /nfs/dbraw/zinc/57/61/97/434576197.db2.gz DXENOMKCSBOLQL-FUHWJXTLSA-N 2 1 308.510 3.436 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000528414045 295210598 /nfs/dbraw/zinc/21/05/98/295210598.db2.gz ASLSNYBKOXJCJB-JLSDUUJJSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000528414045 295210600 /nfs/dbraw/zinc/21/06/00/295210600.db2.gz ASLSNYBKOXJCJB-JLSDUUJJSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000528414045 295210601 /nfs/dbraw/zinc/21/06/01/295210601.db2.gz ASLSNYBKOXJCJB-JLSDUUJJSA-N 2 1 308.441 3.175 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CCC(OC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423170475 295215299 /nfs/dbraw/zinc/21/52/99/295215299.db2.gz MDRXEECLZCXIDY-SOTJZCEJSA-N 2 1 318.461 3.036 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000420295957 295240887 /nfs/dbraw/zinc/24/08/87/295240887.db2.gz BGAWSQJEJNRGQQ-YLJYHZDGSA-N 2 1 310.441 3.357 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000354025507 434583837 /nfs/dbraw/zinc/58/38/37/434583837.db2.gz FEUWCJSYOONVOE-KRWDZBQOSA-N 2 1 316.493 3.262 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CCCO2 ZINC000165272867 295274932 /nfs/dbraw/zinc/27/49/32/295274932.db2.gz JAVCKBNUCGIVAN-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459523689 434594509 /nfs/dbraw/zinc/59/45/09/434594509.db2.gz JIULRKJFZPCTCS-LJQANCHMSA-N 2 1 316.489 3.241 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000354099262 434618159 /nfs/dbraw/zinc/61/81/59/434618159.db2.gz CXYHHVDUKIBMPL-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)CC1 ZINC000349151815 434621373 /nfs/dbraw/zinc/62/13/73/434621373.db2.gz OOURCONVIIFBGU-ZDUSSCGKSA-N 2 1 312.379 3.268 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCC2CCOCC2)C1 ZINC000410388749 434645542 /nfs/dbraw/zinc/64/55/42/434645542.db2.gz CNZPAJVXZNHLAG-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000410388749 434645548 /nfs/dbraw/zinc/64/55/48/434645548.db2.gz CNZPAJVXZNHLAG-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410388749 434645555 /nfs/dbraw/zinc/64/55/55/434645555.db2.gz CNZPAJVXZNHLAG-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP CC[N@H+]1CCC[C@H](CNCc2ccnn2-c2ccccc2C)C1 ZINC000354147898 434640696 /nfs/dbraw/zinc/64/06/96/434640696.db2.gz VMDMKMIYLKRWEZ-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000354147898 434640702 /nfs/dbraw/zinc/64/07/02/434640702.db2.gz VMDMKMIYLKRWEZ-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000354147898 434640709 /nfs/dbraw/zinc/64/07/09/434640709.db2.gz VMDMKMIYLKRWEZ-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000354081745 434610416 /nfs/dbraw/zinc/61/04/16/434610416.db2.gz HBSAKFNPABSBMW-ZDUSSCGKSA-N 2 1 316.898 3.334 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000354081745 434610426 /nfs/dbraw/zinc/61/04/26/434610426.db2.gz HBSAKFNPABSBMW-ZDUSSCGKSA-N 2 1 316.898 3.334 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000349370698 434695532 /nfs/dbraw/zinc/69/55/32/434695532.db2.gz RTKPQKIAFVAKDP-UHFFFAOYSA-N 2 1 313.445 3.427 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000349370698 434695538 /nfs/dbraw/zinc/69/55/38/434695538.db2.gz RTKPQKIAFVAKDP-UHFFFAOYSA-N 2 1 313.445 3.427 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000424179496 434647295 /nfs/dbraw/zinc/64/72/95/434647295.db2.gz TXVRDLYIFAKHSR-HOTGVXAUSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000424179496 434647300 /nfs/dbraw/zinc/64/73/00/434647300.db2.gz TXVRDLYIFAKHSR-HOTGVXAUSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+]CCCc1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000360619233 434647813 /nfs/dbraw/zinc/64/78/13/434647813.db2.gz LEOARMJMUUAJAY-AEFFLSMTSA-N 2 1 301.478 3.257 20 0 DGADMP CC[N@H+](C)[C@@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424241982 434664521 /nfs/dbraw/zinc/66/45/21/434664521.db2.gz OLRSSAJFGGUFHS-GOSISDBHSA-N 2 1 311.429 3.085 20 0 DGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424241982 434664528 /nfs/dbraw/zinc/66/45/28/434664528.db2.gz OLRSSAJFGGUFHS-GOSISDBHSA-N 2 1 311.429 3.085 20 0 DGADMP CCCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459723755 434676303 /nfs/dbraw/zinc/67/63/03/434676303.db2.gz CTZJJVWDOXMIMY-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)OC(C)C ZINC000349338793 434678359 /nfs/dbraw/zinc/67/83/59/434678359.db2.gz AWVCSRIDOBOTMD-AYBZRNKSSA-N 2 1 320.477 3.091 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)OC(C)C ZINC000349338795 434679158 /nfs/dbraw/zinc/67/91/58/434679158.db2.gz AWVCSRIDOBOTMD-SUMDDJOVSA-N 2 1 320.477 3.091 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459734360 434683041 /nfs/dbraw/zinc/68/30/41/434683041.db2.gz HBDMHHUBLIDNHS-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1O ZINC000360745518 434684566 /nfs/dbraw/zinc/68/45/66/434684566.db2.gz BVXRYPGQEVXGGH-KBPBESRZSA-N 2 1 324.852 3.161 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Cl)c1O ZINC000360745518 434684573 /nfs/dbraw/zinc/68/45/73/434684573.db2.gz BVXRYPGQEVXGGH-KBPBESRZSA-N 2 1 324.852 3.161 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424301706 434685204 /nfs/dbraw/zinc/68/52/04/434685204.db2.gz YBHOHHMSXRVHSU-KGLIPLIRSA-N 2 1 323.506 3.205 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCCOCCc1ccccc1)CC[NH2+]CC2 ZINC000424301932 434685632 /nfs/dbraw/zinc/68/56/32/434685632.db2.gz YISHUFKUHDTKJM-SFHVURJKSA-N 2 1 316.489 3.100 20 0 DGADMP CCCCc1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424300527 434685966 /nfs/dbraw/zinc/68/59/66/434685966.db2.gz WOVWQAHZLSCXMG-CQSZACIVSA-N 2 1 307.507 3.450 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCOc3ccccc32)CC1 ZINC000371392751 434688662 /nfs/dbraw/zinc/68/86/62/434688662.db2.gz RXSCWSOBAGXGFG-MRXNPFEDSA-N 2 1 302.462 3.357 20 0 DGADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411254740 434752867 /nfs/dbraw/zinc/75/28/67/434752867.db2.gz GBKRAEUBXLEFCT-YOFSQIOKSA-N 2 1 314.473 3.160 20 0 DGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424378142 434713276 /nfs/dbraw/zinc/71/32/76/434713276.db2.gz SGSDGBQRWJUXAS-IAOVAPTHSA-N 2 1 318.465 3.137 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000354333459 434727463 /nfs/dbraw/zinc/72/74/63/434727463.db2.gz YYPUDLDQHQBTDZ-OALUTQOASA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CO1 ZINC000411141554 434728945 /nfs/dbraw/zinc/72/89/45/434728945.db2.gz FHRUILDVQWNJGG-DLBZAZTESA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CO1 ZINC000411141554 434728948 /nfs/dbraw/zinc/72/89/48/434728948.db2.gz FHRUILDVQWNJGG-DLBZAZTESA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CO1 ZINC000411147986 434733987 /nfs/dbraw/zinc/73/39/87/434733987.db2.gz QSXBMTKECFEIDF-IRXDYDNUSA-N 2 1 302.462 3.282 20 0 DGADMP C[N@H+](CCc1cncs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411304289 434756719 /nfs/dbraw/zinc/75/67/19/434756719.db2.gz WKSJFAHQWSLLJU-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[N@@H+](CCc1cncs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411304289 434756723 /nfs/dbraw/zinc/75/67/23/434756723.db2.gz WKSJFAHQWSLLJU-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cncs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411304289 434756728 /nfs/dbraw/zinc/75/67/28/434756728.db2.gz WKSJFAHQWSLLJU-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cncs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411304289 434756734 /nfs/dbraw/zinc/75/67/34/434756734.db2.gz WKSJFAHQWSLLJU-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411318086 434761763 /nfs/dbraw/zinc/76/17/63/434761763.db2.gz DGGNCKHMZZCYFA-SJORKVTESA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411318086 434761767 /nfs/dbraw/zinc/76/17/67/434761767.db2.gz DGGNCKHMZZCYFA-SJORKVTESA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441361779 434765524 /nfs/dbraw/zinc/76/55/24/434765524.db2.gz UHZRNIKEIKFPGW-ZWKOTPCHSA-N 2 1 309.542 3.207 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1(O)CCCC1 ZINC000411404199 434775260 /nfs/dbraw/zinc/77/52/60/434775260.db2.gz WKIVLDJRBOGHNL-UHFFFAOYSA-N 2 1 316.489 3.409 20 0 DGADMP c1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ccc1C[NH+]1CCCCC1 ZINC000411417509 434776869 /nfs/dbraw/zinc/77/68/69/434776869.db2.gz GINGCPRRGPCTNM-HXUWFJFHSA-N 2 1 314.473 3.283 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000453057827 434786650 /nfs/dbraw/zinc/78/66/50/434786650.db2.gz NQBQKPDMILGTDQ-LWYYNNOASA-N 2 1 314.473 3.198 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453080444 434795368 /nfs/dbraw/zinc/79/53/68/434795368.db2.gz AXYVNIPTUYPDNN-AFYVEPGGSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453080455 434795692 /nfs/dbraw/zinc/79/56/92/434795692.db2.gz AXYVNIPTUYPDNN-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453085723 434796292 /nfs/dbraw/zinc/79/62/92/434796292.db2.gz NFYXOKMGBPLYKP-MSOLQXFVSA-N 2 1 322.880 3.114 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453128698 434809671 /nfs/dbraw/zinc/80/96/71/434809671.db2.gz QGOIUCIZCCATOQ-INIZCTEOSA-N 2 1 300.450 3.368 20 0 DGADMP Cn1nccc1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656905 434812836 /nfs/dbraw/zinc/81/28/36/434812836.db2.gz DNEZOTDWKGVLGV-UHFFFAOYSA-N 2 1 312.461 3.038 20 0 DGADMP Cn1nccc1C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656905 434812842 /nfs/dbraw/zinc/81/28/42/434812842.db2.gz DNEZOTDWKGVLGV-UHFFFAOYSA-N 2 1 312.461 3.038 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453136467 434814161 /nfs/dbraw/zinc/81/41/61/434814161.db2.gz XFIGXUJPQMQZPF-UAFMIMERSA-N 2 1 316.489 3.180 20 0 DGADMP C[N@@H+](CCCCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411689242 434816418 /nfs/dbraw/zinc/81/64/18/434816418.db2.gz NLTIIDFVKQNXGR-UHFFFAOYSA-N 2 1 304.478 3.267 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000453171498 434822369 /nfs/dbraw/zinc/82/23/69/434822369.db2.gz LZVLCGUSGKQKLV-RYRKJORJSA-N 2 1 312.461 3.361 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2c1 ZINC000411765742 434826321 /nfs/dbraw/zinc/82/63/21/434826321.db2.gz GAPLBBLLCBQRFN-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc2c1 ZINC000411765742 434826323 /nfs/dbraw/zinc/82/63/23/434826323.db2.gz GAPLBBLLCBQRFN-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000411765742 434826327 /nfs/dbraw/zinc/82/63/27/434826327.db2.gz GAPLBBLLCBQRFN-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000411765742 434826331 /nfs/dbraw/zinc/82/63/31/434826331.db2.gz GAPLBBLLCBQRFN-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H]2CCOc3c(F)ccc(F)c32)[C@@H]2CCC[C@H]21 ZINC000361190469 434827417 /nfs/dbraw/zinc/82/74/17/434827417.db2.gz YUNMMRWIRGGVEX-DANNLKNASA-N 2 1 322.399 3.251 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H]2CCC[C@H]21 ZINC000361190469 434827420 /nfs/dbraw/zinc/82/74/20/434827420.db2.gz YUNMMRWIRGGVEX-DANNLKNASA-N 2 1 322.399 3.251 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H]2CCC[C@H]21 ZINC000361190469 434827425 /nfs/dbraw/zinc/82/74/25/434827425.db2.gz YUNMMRWIRGGVEX-DANNLKNASA-N 2 1 322.399 3.251 20 0 DGADMP O[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411775199 434828514 /nfs/dbraw/zinc/82/85/14/434828514.db2.gz XGLYRXIZTLSUTN-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412016513 434854428 /nfs/dbraw/zinc/85/44/28/434854428.db2.gz WBQIPEZTZAWQMI-SFHVURJKSA-N 2 1 311.429 3.045 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412016513 434854430 /nfs/dbraw/zinc/85/44/30/434854430.db2.gz WBQIPEZTZAWQMI-SFHVURJKSA-N 2 1 311.429 3.045 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521272010 434877694 /nfs/dbraw/zinc/87/76/94/434877694.db2.gz QOBQMTGSBOKRGO-LPHOPBHVSA-N 2 1 324.472 3.000 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521272010 434877700 /nfs/dbraw/zinc/87/77/00/434877700.db2.gz QOBQMTGSBOKRGO-LPHOPBHVSA-N 2 1 324.472 3.000 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)/C=C\C[NH+](C)C)c2C1 ZINC000491906766 434879548 /nfs/dbraw/zinc/87/95/48/434879548.db2.gz QQZYOIUUSNQSBK-TWGQIWQCSA-N 2 1 315.461 3.105 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250097 434883982 /nfs/dbraw/zinc/88/39/82/434883982.db2.gz YQKCMFGFJQHNBU-VQTJNVASSA-N 3 1 309.457 3.070 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250097 434883984 /nfs/dbraw/zinc/88/39/84/434883984.db2.gz YQKCMFGFJQHNBU-VQTJNVASSA-N 3 1 309.457 3.070 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000521624681 434890532 /nfs/dbraw/zinc/89/05/32/434890532.db2.gz FXFPRKYRWODOSJ-UHFFFAOYSA-N 2 1 301.415 3.337 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000521624681 434890535 /nfs/dbraw/zinc/89/05/35/434890535.db2.gz FXFPRKYRWODOSJ-UHFFFAOYSA-N 2 1 301.415 3.337 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000521862473 434898526 /nfs/dbraw/zinc/89/85/26/434898526.db2.gz BRUUXPFVMDIONX-AZUAARDMSA-N 2 1 318.505 3.224 20 0 DGADMP CCCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115660 434900075 /nfs/dbraw/zinc/90/00/75/434900075.db2.gz IFNRHYURWHHLMT-MOPGFXCFSA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115660 434900080 /nfs/dbraw/zinc/90/00/80/434900080.db2.gz IFNRHYURWHHLMT-MOPGFXCFSA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115662 434900594 /nfs/dbraw/zinc/90/05/94/434900594.db2.gz IFNRHYURWHHLMT-RBUKOAKNSA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115662 434900598 /nfs/dbraw/zinc/90/05/98/434900598.db2.gz IFNRHYURWHHLMT-RBUKOAKNSA-N 2 1 304.478 3.182 20 0 DGADMP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995066 434904675 /nfs/dbraw/zinc/90/46/75/434904675.db2.gz DOFQWFHGKMIMIE-MSOLQXFVSA-N 2 1 324.896 3.124 20 0 DGADMP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995066 434904677 /nfs/dbraw/zinc/90/46/77/434904677.db2.gz DOFQWFHGKMIMIE-MSOLQXFVSA-N 2 1 324.896 3.124 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)CC(C)C ZINC000554049798 434910973 /nfs/dbraw/zinc/91/09/73/434910973.db2.gz VJUQJSMIBZWYDW-SOUVJXGZSA-N 2 1 324.431 3.442 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000573646039 434914696 /nfs/dbraw/zinc/91/46/96/434914696.db2.gz QGAZBNRIXFJYBK-UHFFFAOYSA-N 2 1 320.477 3.416 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000573646039 434914702 /nfs/dbraw/zinc/91/47/02/434914702.db2.gz QGAZBNRIXFJYBK-UHFFFAOYSA-N 2 1 320.477 3.416 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000637958118 434916689 /nfs/dbraw/zinc/91/66/89/434916689.db2.gz MLJCVVRSFPXTNR-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000521197070 434874760 /nfs/dbraw/zinc/87/47/60/434874760.db2.gz LJGIMLRJJGBRBL-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000521197070 434874761 /nfs/dbraw/zinc/87/47/61/434874761.db2.gz LJGIMLRJJGBRBL-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000573105333 434874824 /nfs/dbraw/zinc/87/48/24/434874824.db2.gz BDWOBLYWZFQRRI-MDNKFWRPSA-N 3 1 315.505 3.147 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)C(C)(C)C)CC1)CC1CC1 ZINC000554737745 434944393 /nfs/dbraw/zinc/94/43/93/434944393.db2.gz QZIPGWOILSMHNV-SFHVURJKSA-N 2 1 310.526 3.227 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CCCCO3)C2)s1 ZINC000554852265 434948488 /nfs/dbraw/zinc/94/84/88/434948488.db2.gz UYCVJIORAMXFBM-IRXDYDNUSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCCCO3)C2)s1 ZINC000554852265 434948493 /nfs/dbraw/zinc/94/84/93/434948493.db2.gz UYCVJIORAMXFBM-IRXDYDNUSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCCCO3)C2)s1 ZINC000554852265 434948496 /nfs/dbraw/zinc/94/84/96/434948496.db2.gz UYCVJIORAMXFBM-IRXDYDNUSA-N 2 1 322.518 3.379 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890905 434952588 /nfs/dbraw/zinc/95/25/88/434952588.db2.gz ZSOHXFKZGFVHDJ-ICSRJNTNSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890905 434952594 /nfs/dbraw/zinc/95/25/94/434952594.db2.gz ZSOHXFKZGFVHDJ-ICSRJNTNSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890905 434952598 /nfs/dbraw/zinc/95/25/98/434952598.db2.gz ZSOHXFKZGFVHDJ-ICSRJNTNSA-N 2 1 314.473 3.392 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000523551285 434954414 /nfs/dbraw/zinc/95/44/14/434954414.db2.gz RPUYXADPZNFVDB-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638116646 434957813 /nfs/dbraw/zinc/95/78/13/434957813.db2.gz FOFCTOOBMFJQFB-RTBURBONSA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638116646 434957817 /nfs/dbraw/zinc/95/78/17/434957817.db2.gz FOFCTOOBMFJQFB-RTBURBONSA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638116646 434957820 /nfs/dbraw/zinc/95/78/20/434957820.db2.gz FOFCTOOBMFJQFB-RTBURBONSA-N 2 1 315.505 3.319 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn21 ZINC000574266607 434964015 /nfs/dbraw/zinc/96/40/15/434964015.db2.gz QSLAWSYTKJFWNF-OAHLLOKOSA-N 2 1 312.461 3.032 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@H+](C3CC3)C2)c2ccccn21 ZINC000574266607 434964018 /nfs/dbraw/zinc/96/40/18/434964018.db2.gz QSLAWSYTKJFWNF-OAHLLOKOSA-N 2 1 312.461 3.032 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638389313 435020902 /nfs/dbraw/zinc/02/09/02/435020902.db2.gz FEWKHEHULXMGIK-HKUYNNGSSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638389313 435020905 /nfs/dbraw/zinc/02/09/05/435020905.db2.gz FEWKHEHULXMGIK-HKUYNNGSSA-N 2 1 300.446 3.123 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CS[C@H](C)C2)cc1F ZINC000638420250 435026965 /nfs/dbraw/zinc/02/69/65/435026965.db2.gz MJTWECZUXMAWHJ-BXUZGUMPSA-N 2 1 305.422 3.303 20 0 DGADMP CO[C@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000638419724 435027749 /nfs/dbraw/zinc/02/77/49/435027749.db2.gz IRBJQOIEIYGBAV-GOSISDBHSA-N 2 1 317.408 3.225 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000556093506 434996370 /nfs/dbraw/zinc/99/63/70/434996370.db2.gz KFJTVUNPPDXVRQ-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556093506 434996377 /nfs/dbraw/zinc/99/63/77/434996377.db2.gz KFJTVUNPPDXVRQ-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556093506 434996381 /nfs/dbraw/zinc/99/63/81/434996381.db2.gz KFJTVUNPPDXVRQ-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000556868054 435032976 /nfs/dbraw/zinc/03/29/76/435032976.db2.gz GGULHGQKTYAGMR-CABCVRRESA-N 2 1 306.450 3.005 20 0 DGADMP C[N@@H+](CCCNCc1cccc(F)c1N)Cc1ccccc1 ZINC000638310282 435002485 /nfs/dbraw/zinc/00/24/85/435002485.db2.gz RMYAVQXTBVKIEM-UHFFFAOYSA-N 2 1 301.409 3.020 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc(F)c1N)Cc1ccccc1 ZINC000638310282 435002492 /nfs/dbraw/zinc/00/24/92/435002492.db2.gz RMYAVQXTBVKIEM-UHFFFAOYSA-N 2 1 301.409 3.020 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c2ccccn21 ZINC000556274406 435003812 /nfs/dbraw/zinc/00/38/12/435003812.db2.gz WVZARKBHZGFSSZ-GOSISDBHSA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)C[C@@H]2C(C)C)c2ccccn21 ZINC000556274406 435003817 /nfs/dbraw/zinc/00/38/17/435003817.db2.gz WVZARKBHZGFSSZ-GOSISDBHSA-N 2 1 314.477 3.230 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638316790 435003862 /nfs/dbraw/zinc/00/38/62/435003862.db2.gz MABWGUWTYZEGFV-HKUYNNGSSA-N 2 1 302.462 3.371 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638316790 435003868 /nfs/dbraw/zinc/00/38/68/435003868.db2.gz MABWGUWTYZEGFV-HKUYNNGSSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000556311501 435004284 /nfs/dbraw/zinc/00/42/84/435004284.db2.gz CBVCVLGJPSMSHG-LJQANCHMSA-N 2 1 316.489 3.242 20 0 DGADMP CC(C)O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000638321822 435005506 /nfs/dbraw/zinc/00/55/06/435005506.db2.gz QCJVQAZRUBKPIZ-IBGZPJMESA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000638358781 435011698 /nfs/dbraw/zinc/01/16/98/435011698.db2.gz KBYHAIYPXLRCGG-HYVNUMGLSA-N 2 1 306.494 3.187 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000530902519 435059848 /nfs/dbraw/zinc/05/98/48/435059848.db2.gz RMRNFJUPRDMOOG-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000530902519 435059853 /nfs/dbraw/zinc/05/98/53/435059853.db2.gz RMRNFJUPRDMOOG-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000530902519 435059857 /nfs/dbraw/zinc/05/98/57/435059857.db2.gz RMRNFJUPRDMOOG-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCCC2)CC1 ZINC000638636617 435062375 /nfs/dbraw/zinc/06/23/75/435062375.db2.gz FCMFXTYZZMPJEA-KURKYZTESA-N 2 1 320.521 3.436 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000558423505 435090743 /nfs/dbraw/zinc/09/07/43/435090743.db2.gz LSEXDTFDFMZGPO-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000558423505 435090746 /nfs/dbraw/zinc/09/07/46/435090746.db2.gz LSEXDTFDFMZGPO-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638668807 435068342 /nfs/dbraw/zinc/06/83/42/435068342.db2.gz PMDPRIXHPPREAN-YZGWKJHDSA-N 2 1 316.489 3.495 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638668807 435068345 /nfs/dbraw/zinc/06/83/45/435068345.db2.gz PMDPRIXHPPREAN-YZGWKJHDSA-N 2 1 316.489 3.495 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000558423505 435090749 /nfs/dbraw/zinc/09/07/49/435090749.db2.gz LSEXDTFDFMZGPO-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638688465 435069290 /nfs/dbraw/zinc/06/92/90/435069290.db2.gz FZIYESAQLUMIMX-YZGWKJHDSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638688465 435069293 /nfs/dbraw/zinc/06/92/93/435069293.db2.gz FZIYESAQLUMIMX-YZGWKJHDSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638688464 435069671 /nfs/dbraw/zinc/06/96/71/435069671.db2.gz FZIYESAQLUMIMX-YSIASYRMSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638688464 435069674 /nfs/dbraw/zinc/06/96/74/435069674.db2.gz FZIYESAQLUMIMX-YSIASYRMSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H]1CCOC1 ZINC000638692645 435071758 /nfs/dbraw/zinc/07/17/58/435071758.db2.gz KMLKYDHEACSJAW-ZCDKGFTFSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H]1CCOC1 ZINC000638692645 435071760 /nfs/dbraw/zinc/07/17/60/435071760.db2.gz KMLKYDHEACSJAW-ZCDKGFTFSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000638721426 435076495 /nfs/dbraw/zinc/07/64/95/435076495.db2.gz NVAQICDGPXFMRL-FVPXHTFXSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000638721426 435076500 /nfs/dbraw/zinc/07/65/00/435076500.db2.gz NVAQICDGPXFMRL-FVPXHTFXSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@@H](CCNCc1cccc(F)c1N)[N@@H+](C)Cc1ccccc1 ZINC000638726851 435077780 /nfs/dbraw/zinc/07/77/80/435077780.db2.gz WFSBAXCXAIFBHB-HNNXBMFYSA-N 2 1 315.436 3.408 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc(F)c1N)[N@@H+](C)Cc1ccccc1 ZINC000638726851 435077790 /nfs/dbraw/zinc/07/77/90/435077790.db2.gz WFSBAXCXAIFBHB-HNNXBMFYSA-N 2 1 315.436 3.408 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638766016 435086282 /nfs/dbraw/zinc/08/62/82/435086282.db2.gz NVUALDDUFNCRBY-IMFGXOCKSA-N 2 1 316.489 3.353 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638766016 435086286 /nfs/dbraw/zinc/08/62/86/435086286.db2.gz NVUALDDUFNCRBY-IMFGXOCKSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000558422685 435088824 /nfs/dbraw/zinc/08/88/24/435088824.db2.gz SSVYLSRGEJYCRM-LJQANCHMSA-N 2 1 309.542 3.328 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)c1 ZINC000638448355 435034570 /nfs/dbraw/zinc/03/45/70/435034570.db2.gz TZXWABYFXLZTHF-HOTGVXAUSA-N 2 1 308.491 3.119 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)c1 ZINC000638448355 435034571 /nfs/dbraw/zinc/03/45/71/435034571.db2.gz TZXWABYFXLZTHF-HOTGVXAUSA-N 2 1 308.491 3.119 20 0 DGADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638466264 435037007 /nfs/dbraw/zinc/03/70/07/435037007.db2.gz IITNVXAOUPZMOK-KPFFTGBYSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638466264 435037009 /nfs/dbraw/zinc/03/70/09/435037009.db2.gz IITNVXAOUPZMOK-KPFFTGBYSA-N 2 1 315.505 3.284 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638476456 435040287 /nfs/dbraw/zinc/04/02/87/435040287.db2.gz NUBHNAZWORWREW-KVSKMBFKSA-N 2 1 302.462 3.369 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638476456 435040288 /nfs/dbraw/zinc/04/02/88/435040288.db2.gz NUBHNAZWORWREW-KVSKMBFKSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC1(F)F ZINC000638521235 435045780 /nfs/dbraw/zinc/04/57/80/435045780.db2.gz CEPPBQYAFIQYFB-USXIJHARSA-N 2 1 308.416 3.184 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638581967 435054916 /nfs/dbraw/zinc/05/49/16/435054916.db2.gz IQKYDTNTRBTKSN-LWCVALJOSA-N 2 1 316.489 3.351 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638581967 435054917 /nfs/dbraw/zinc/05/49/17/435054917.db2.gz IQKYDTNTRBTKSN-LWCVALJOSA-N 2 1 316.489 3.351 20 0 DGADMP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000532188172 435146742 /nfs/dbraw/zinc/14/67/42/435146742.db2.gz BSVQRWGLVSUXQB-QFBILLFUSA-N 2 1 302.462 3.187 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)[C@@H]1C ZINC000474485302 435148762 /nfs/dbraw/zinc/14/87/62/435148762.db2.gz PSPMKLLDBJCROE-LAVFITLUSA-N 2 1 324.509 3.064 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H](C)C[N@@H+](C)C(C)C)c2ccccn21 ZINC000578634025 435097529 /nfs/dbraw/zinc/09/75/29/435097529.db2.gz HVTDRLPKASHHFX-HNNXBMFYSA-N 2 1 302.466 3.276 20 0 DGADMP [NH3+]C1(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CCC1 ZINC000578738605 435106223 /nfs/dbraw/zinc/10/62/23/435106223.db2.gz DBKBTQPGKRPKJP-QGZVFWFLSA-N 2 1 315.848 3.490 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000638873494 435110398 /nfs/dbraw/zinc/11/03/98/435110398.db2.gz IFSBCHOAPKSZQY-ZACQAIPSSA-N 2 1 314.477 3.088 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000467401394 435120114 /nfs/dbraw/zinc/12/01/14/435120114.db2.gz ZFOBZRVZQNYASM-DOMZBBRYSA-N 2 1 300.368 3.444 20 0 DGADMP C[NH+](C)Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000467454862 435122246 /nfs/dbraw/zinc/12/22/46/435122246.db2.gz KEGBFLSOXUCXFN-HZPDHXFCSA-N 2 1 307.869 3.440 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969451 435123502 /nfs/dbraw/zinc/12/35/02/435123502.db2.gz HAYRLBKXSSYEHL-HIFRSBDPSA-N 2 1 305.441 3.151 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969451 435123504 /nfs/dbraw/zinc/12/35/04/435123504.db2.gz HAYRLBKXSSYEHL-HIFRSBDPSA-N 2 1 305.441 3.151 20 0 DGADMP CC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC000531939987 435129762 /nfs/dbraw/zinc/12/97/62/435129762.db2.gz JJUQBBAXJBZDEE-VQTJNVASSA-N 2 1 317.521 3.389 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639038102 435132938 /nfs/dbraw/zinc/13/29/38/435132938.db2.gz OSWUURMUWVIDEN-KPFFTGBYSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639038102 435132940 /nfs/dbraw/zinc/13/29/40/435132940.db2.gz OSWUURMUWVIDEN-KPFFTGBYSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639043833 435133743 /nfs/dbraw/zinc/13/37/43/435133743.db2.gz ARIDDEJUKPUHMT-PKOBYXMFSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639043833 435133746 /nfs/dbraw/zinc/13/37/46/435133746.db2.gz ARIDDEJUKPUHMT-PKOBYXMFSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639043831 435133922 /nfs/dbraw/zinc/13/39/22/435133922.db2.gz ARIDDEJUKPUHMT-IEBWSBKVSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639043831 435133924 /nfs/dbraw/zinc/13/39/24/435133924.db2.gz ARIDDEJUKPUHMT-IEBWSBKVSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)C[C@@H]1c1ccccc1 ZINC000559740598 435136203 /nfs/dbraw/zinc/13/62/03/435136203.db2.gz LZDSXVMDLWVCLL-VQTJNVASSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)C[C@@H]1c1ccccc1 ZINC000559740598 435136209 /nfs/dbraw/zinc/13/62/09/435136209.db2.gz LZDSXVMDLWVCLL-VQTJNVASSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CO)C[C@@H]1c1ccccc1 ZINC000559740599 435136306 /nfs/dbraw/zinc/13/63/06/435136306.db2.gz LZDSXVMDLWVCLL-WOJBJXKFSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CO)C[C@@H]1c1ccccc1 ZINC000559740599 435136312 /nfs/dbraw/zinc/13/63/12/435136312.db2.gz LZDSXVMDLWVCLL-WOJBJXKFSA-N 2 1 310.441 3.104 20 0 DGADMP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000559919618 435142528 /nfs/dbraw/zinc/14/25/28/435142528.db2.gz OHHCSFRNBCVUFQ-UJWQCDCRSA-N 2 1 302.437 3.377 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000579282709 435144180 /nfs/dbraw/zinc/14/41/80/435144180.db2.gz WHKROYAZXMCAGL-MAUKXSAKSA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000579282709 435144185 /nfs/dbraw/zinc/14/41/85/435144185.db2.gz WHKROYAZXMCAGL-MAUKXSAKSA-N 2 1 304.478 3.263 20 0 DGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639074428 435145219 /nfs/dbraw/zinc/14/52/19/435145219.db2.gz PDFNWOMMXLZASG-VDZJLULYSA-N 2 1 302.462 3.369 20 0 DGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639074428 435145224 /nfs/dbraw/zinc/14/52/24/435145224.db2.gz PDFNWOMMXLZASG-VDZJLULYSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176641 435184115 /nfs/dbraw/zinc/18/41/15/435184115.db2.gz IQKAQVBWINJFET-KRWDZBQOSA-N 2 1 324.472 3.102 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1)CC1CC1 ZINC000475328259 435191566 /nfs/dbraw/zinc/19/15/66/435191566.db2.gz HJJAFWSTDKMXKI-LPHOPBHVSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000579411196 435152835 /nfs/dbraw/zinc/15/28/35/435152835.db2.gz JGKFYLCQVCEQHU-AEFFLSMTSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000579411196 435152839 /nfs/dbraw/zinc/15/28/39/435152839.db2.gz JGKFYLCQVCEQHU-AEFFLSMTSA-N 2 1 304.478 3.127 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000579435610 435154577 /nfs/dbraw/zinc/15/45/77/435154577.db2.gz SVQIGIWFGOTATC-FQEVSTJZSA-N 2 1 318.505 3.296 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639098819 435154810 /nfs/dbraw/zinc/15/48/10/435154810.db2.gz YROOVHKDWDLISV-UUXHPUJUSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639098819 435154814 /nfs/dbraw/zinc/15/48/14/435154814.db2.gz YROOVHKDWDLISV-UUXHPUJUSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000560245851 435155579 /nfs/dbraw/zinc/15/55/79/435155579.db2.gz KDZSWAKHFCBQKU-LMSBXDPUSA-N 2 1 302.462 3.305 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000560245851 435155583 /nfs/dbraw/zinc/15/55/83/435155583.db2.gz KDZSWAKHFCBQKU-LMSBXDPUSA-N 2 1 302.462 3.305 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000474715119 435157383 /nfs/dbraw/zinc/15/73/83/435157383.db2.gz PZKWVIHYRXOUDF-BSDSXHPESA-N 2 1 324.509 3.208 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000474715119 435157384 /nfs/dbraw/zinc/15/73/84/435157384.db2.gz PZKWVIHYRXOUDF-BSDSXHPESA-N 2 1 324.509 3.208 20 0 DGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000579494580 435160714 /nfs/dbraw/zinc/16/07/14/435160714.db2.gz SMSDROSFWJSHOA-ZCNNSNEGSA-N 2 1 317.521 3.347 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801822 435161783 /nfs/dbraw/zinc/16/17/83/435161783.db2.gz ZMKCXBPDRWOHPC-XLIONFOSSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801822 435161788 /nfs/dbraw/zinc/16/17/88/435161788.db2.gz ZMKCXBPDRWOHPC-XLIONFOSSA-N 2 1 316.489 3.182 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000579621966 435169708 /nfs/dbraw/zinc/16/97/08/435169708.db2.gz BQZJNCAJQSBATQ-VQTJNVASSA-N 3 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000579621966 435169714 /nfs/dbraw/zinc/16/97/14/435169714.db2.gz BQZJNCAJQSBATQ-VQTJNVASSA-N 3 1 315.505 3.143 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000639177766 435183159 /nfs/dbraw/zinc/18/31/59/435183159.db2.gz GAURRZKUDQPTET-NZSAHSFTSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000639177766 435183163 /nfs/dbraw/zinc/18/31/63/435183163.db2.gz GAURRZKUDQPTET-NZSAHSFTSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000639177766 435183167 /nfs/dbraw/zinc/18/31/67/435183167.db2.gz GAURRZKUDQPTET-NZSAHSFTSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000639177766 435183169 /nfs/dbraw/zinc/18/31/69/435183169.db2.gz GAURRZKUDQPTET-NZSAHSFTSA-N 2 1 304.478 3.425 20 0 DGADMP COc1ccc2c(c1)CCC[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000533270638 435220387 /nfs/dbraw/zinc/22/03/87/435220387.db2.gz AQJFZNMMZPUJDQ-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH+]2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC000533298363 435224802 /nfs/dbraw/zinc/22/48/02/435224802.db2.gz WEPKPMYYSZTNMH-GOSISDBHSA-N 2 1 318.505 3.451 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C1CCCCC1 ZINC000639292022 435228705 /nfs/dbraw/zinc/22/87/05/435228705.db2.gz YEAVHXYKHVGBPW-SJORKVTESA-N 2 1 323.525 3.068 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C2CC2)cc1 ZINC000639295179 435233759 /nfs/dbraw/zinc/23/37/59/435233759.db2.gz LQQXGDLSHWOBEX-XLSIIYIISA-N 2 1 312.457 3.264 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C2CC2)cc1 ZINC000639295179 435233762 /nfs/dbraw/zinc/23/37/62/435233762.db2.gz LQQXGDLSHWOBEX-XLSIIYIISA-N 2 1 312.457 3.264 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311432 435238457 /nfs/dbraw/zinc/23/84/57/435238457.db2.gz SMGBMFKCSWLDFH-VDZJLULYSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311432 435238460 /nfs/dbraw/zinc/23/84/60/435238460.db2.gz SMGBMFKCSWLDFH-VDZJLULYSA-N 2 1 314.473 3.105 20 0 DGADMP CC(C)O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000639347050 435256330 /nfs/dbraw/zinc/25/63/30/435256330.db2.gz LVQQXZMKFCGXLB-PKOBYXMFSA-N 2 1 304.478 3.474 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000639374876 435271010 /nfs/dbraw/zinc/27/10/10/435271010.db2.gz LYOQAXNZBINYOY-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP Clc1cnc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000648376413 435280468 /nfs/dbraw/zinc/28/04/68/435280468.db2.gz PVBBJYPOFYRCPN-CYBMUJFWSA-N 2 1 319.836 3.399 20 0 DGADMP Clc1cnc2oc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000648376413 435280475 /nfs/dbraw/zinc/28/04/75/435280475.db2.gz PVBBJYPOFYRCPN-CYBMUJFWSA-N 2 1 319.836 3.399 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384084 435281280 /nfs/dbraw/zinc/28/12/80/435281280.db2.gz JGWXFWDOGPDZPB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384084 435281286 /nfs/dbraw/zinc/28/12/86/435281286.db2.gz JGWXFWDOGPDZPB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384084 435281291 /nfs/dbraw/zinc/28/12/91/435281291.db2.gz JGWXFWDOGPDZPB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384084 435281295 /nfs/dbraw/zinc/28/12/95/435281295.db2.gz JGWXFWDOGPDZPB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384084 435281299 /nfs/dbraw/zinc/28/12/99/435281299.db2.gz JGWXFWDOGPDZPB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639396419 435284792 /nfs/dbraw/zinc/28/47/92/435284792.db2.gz GTGRSIIKXAXUCJ-FRYIKTPZSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639396419 435284798 /nfs/dbraw/zinc/28/47/98/435284798.db2.gz GTGRSIIKXAXUCJ-FRYIKTPZSA-N 2 1 314.473 3.248 20 0 DGADMP c1cc(C[NH+]2CCC(C3CC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000643252844 435285549 /nfs/dbraw/zinc/28/55/49/435285549.db2.gz KZJJGWHNUDLOCU-UHFFFAOYSA-N 2 1 314.473 3.141 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2cc(N)ccc2O1 ZINC000584345380 435289267 /nfs/dbraw/zinc/28/92/67/435289267.db2.gz SQMKFZWBTCZEBJ-OAGGEKHMSA-N 2 1 303.450 3.121 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000584319570 435290430 /nfs/dbraw/zinc/29/04/30/435290430.db2.gz HKZHCFHCHIPKOC-UXHICEINSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000584319570 435290434 /nfs/dbraw/zinc/29/04/34/435290434.db2.gz HKZHCFHCHIPKOC-UXHICEINSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000584319570 435290439 /nfs/dbraw/zinc/29/04/39/435290439.db2.gz HKZHCFHCHIPKOC-UXHICEINSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000584319570 435290441 /nfs/dbraw/zinc/29/04/41/435290441.db2.gz HKZHCFHCHIPKOC-UXHICEINSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648413315 435291343 /nfs/dbraw/zinc/29/13/43/435291343.db2.gz YCWHADUBDRHPDG-LLVKDONJSA-N 2 1 318.808 3.412 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[NH+](C)C ZINC000534798508 435300305 /nfs/dbraw/zinc/30/03/05/435300305.db2.gz PSXRSFYLNQMPCH-XDNAFOTISA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000534798597 435301760 /nfs/dbraw/zinc/30/17/60/435301760.db2.gz NLUDNGRXDQKIIX-TVFCKZIOSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000534798597 435301766 /nfs/dbraw/zinc/30/17/66/435301766.db2.gz NLUDNGRXDQKIIX-TVFCKZIOSA-N 2 1 320.521 3.434 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000535083306 435318221 /nfs/dbraw/zinc/31/82/21/435318221.db2.gz VEFCEQORWWOZMP-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)COCC2 ZINC000639497266 435322871 /nfs/dbraw/zinc/32/28/71/435322871.db2.gz JNZXGZHCTBUGMP-QGZVFWFLSA-N 2 1 314.473 3.067 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000643456550 435327988 /nfs/dbraw/zinc/32/79/88/435327988.db2.gz DHWSGHVOJUZSEG-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000643457538 435329566 /nfs/dbraw/zinc/32/95/66/435329566.db2.gz JROVINPUTSSAOI-SKINQDTJSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000643457538 435329570 /nfs/dbraw/zinc/32/95/70/435329570.db2.gz JROVINPUTSSAOI-SKINQDTJSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457524 435330844 /nfs/dbraw/zinc/33/08/44/435330844.db2.gz IOWQDXREONGORS-AQNXPRMDSA-N 2 1 315.505 3.148 20 0 DGADMP CCC1(O)CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643474159 435332120 /nfs/dbraw/zinc/33/21/20/435332120.db2.gz KRAZIGHWMDUBFV-IAFLDTSXSA-N 2 1 302.462 3.153 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000643493828 435336583 /nfs/dbraw/zinc/33/65/83/435336583.db2.gz RCQVVRRWMFJYLF-LSDHHAIUSA-N 2 1 313.445 3.422 20 0 DGADMP Cc1cc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccnc2)ccc1F ZINC000643522455 435340972 /nfs/dbraw/zinc/34/09/72/435340972.db2.gz NIHYTEGVQLYKLI-HKUYNNGSSA-N 2 1 313.420 3.350 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000567678379 435342835 /nfs/dbraw/zinc/34/28/35/435342835.db2.gz RCNFUVQXDMKVEV-LJQANCHMSA-N 2 1 306.494 3.414 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000643529372 435343713 /nfs/dbraw/zinc/34/37/13/435343713.db2.gz YZURKZZFJRHDJX-JVXZTZIISA-N 2 1 303.631 3.027 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000643526688 435343761 /nfs/dbraw/zinc/34/37/61/435343761.db2.gz DSEBMQAPWAVMRY-LKFCYVNXSA-N 2 1 322.250 3.245 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000643528779 435343838 /nfs/dbraw/zinc/34/38/38/435343838.db2.gz OQWAVQXJTYPRLU-GWCFXTLKSA-N 2 1 305.422 3.263 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547916 435348508 /nfs/dbraw/zinc/34/85/08/435348508.db2.gz KUWISIGHVIUTMN-HZPDHXFCSA-N 2 1 308.853 3.292 20 0 DGADMP Cc1cnccc1CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567761578 435353763 /nfs/dbraw/zinc/35/37/63/435353763.db2.gz KJJCKDFPUDWPTC-FQEVSTJZSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cnccc1CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567761578 435353768 /nfs/dbraw/zinc/35/37/68/435353768.db2.gz KJJCKDFPUDWPTC-FQEVSTJZSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cnccc1CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567761578 435353772 /nfs/dbraw/zinc/35/37/72/435353772.db2.gz KJJCKDFPUDWPTC-FQEVSTJZSA-N 2 1 323.484 3.386 20 0 DGADMP Fc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)c1 ZINC000479966554 435359782 /nfs/dbraw/zinc/35/97/82/435359782.db2.gz OKUUDWPRXIKYCJ-OKILXGFUSA-N 2 1 302.418 3.205 20 0 DGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000480046201 435362906 /nfs/dbraw/zinc/36/29/06/435362906.db2.gz NFSLQIQXYLMIEN-UHFFFAOYSA-N 2 1 318.461 3.217 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000567864786 435363105 /nfs/dbraw/zinc/36/31/05/435363105.db2.gz PZSRUYUSDLXEQF-SFHVURJKSA-N 2 1 310.441 3.436 20 0 DGADMP CC(C)(C[NH2+]Cc1ccccc1OC(F)F)C[NH+]1CCCC1 ZINC000480918409 435401065 /nfs/dbraw/zinc/40/10/65/435401065.db2.gz AYLXZGUDODQHCJ-UHFFFAOYSA-N 2 1 312.404 3.500 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000481019784 435406219 /nfs/dbraw/zinc/40/62/19/435406219.db2.gz GKRGMHMGTZTQJD-WFASDCNBSA-N 2 1 300.368 3.178 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000639758833 435409834 /nfs/dbraw/zinc/40/98/34/435409834.db2.gz XGDFDCSNAUDMAL-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792426 435419562 /nfs/dbraw/zinc/41/95/62/435419562.db2.gz KMFRSWXTDVSUGH-QZTJIDSGSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792426 435419566 /nfs/dbraw/zinc/41/95/66/435419566.db2.gz KMFRSWXTDVSUGH-QZTJIDSGSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792426 435419571 /nfs/dbraw/zinc/41/95/71/435419571.db2.gz KMFRSWXTDVSUGH-QZTJIDSGSA-N 2 1 324.472 3.294 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000480370774 435376077 /nfs/dbraw/zinc/37/60/77/435376077.db2.gz NCIYDWGOBFVUQW-IBGZPJMESA-N 2 1 316.489 3.100 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000513042978 435378261 /nfs/dbraw/zinc/37/82/61/435378261.db2.gz WFGQSXXVPXYABU-ROUUACIJSA-N 2 1 321.553 3.494 20 0 DGADMP C[C@H](O)C[N@@H+](C)C1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000513361822 435384688 /nfs/dbraw/zinc/38/46/88/435384688.db2.gz PNXFWRONKOSEFB-JZIMQPMSSA-N 2 1 322.880 3.130 20 0 DGADMP CC[N@H+](CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1)C(C)C ZINC000513354504 435384731 /nfs/dbraw/zinc/38/47/31/435384731.db2.gz UMFALIZTTPBRJL-IBGZPJMESA-N 2 1 304.478 3.336 20 0 DGADMP CC[N@@H+](CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1)C(C)C ZINC000513354504 435384735 /nfs/dbraw/zinc/38/47/35/435384735.db2.gz UMFALIZTTPBRJL-IBGZPJMESA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[NH+](CCC[NH+]2C[C@H](C)S[C@@H](C)C2)C[C@@H](C)S1 ZINC000536542482 435389009 /nfs/dbraw/zinc/38/90/09/435389009.db2.gz NJBTVAICHBOOCP-VLRMEEEOSA-N 2 1 302.553 3.028 20 0 DGADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCOc3ccccc31)CC[NH2+]CC2 ZINC000643973783 435389280 /nfs/dbraw/zinc/38/92/80/435389280.db2.gz QCYVEBZRMZIEFB-HOTGVXAUSA-N 2 1 300.446 3.017 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513487326 435392202 /nfs/dbraw/zinc/39/22/02/435392202.db2.gz BIIPJVHFYCKUMU-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639684172 435392349 /nfs/dbraw/zinc/39/23/49/435392349.db2.gz SMQPKKNOFHJDAH-ICSRJNTNSA-N 2 1 307.441 3.397 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513487329 435392506 /nfs/dbraw/zinc/39/25/06/435392506.db2.gz BIIPJVHFYCKUMU-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CO1 ZINC000514860480 435444377 /nfs/dbraw/zinc/44/43/77/435444377.db2.gz OLRGRTJIXACIKB-BARLLCKDSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482155972 435454586 /nfs/dbraw/zinc/45/45/86/435454586.db2.gz HIOJRIOAZKNYNN-QGZVFWFLSA-N 2 1 316.489 3.408 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000639907295 435454884 /nfs/dbraw/zinc/45/48/84/435454884.db2.gz QKBGNWYLPDUPKO-QGTPRVQTSA-N 2 1 324.415 3.259 20 0 DGADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000644569521 435459542 /nfs/dbraw/zinc/45/95/42/435459542.db2.gz UYQSQDKNHBJNKP-OAHLLOKOSA-N 2 1 323.868 3.133 20 0 DGADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000644569520 435460103 /nfs/dbraw/zinc/46/01/03/435460103.db2.gz UYQSQDKNHBJNKP-HNNXBMFYSA-N 2 1 323.868 3.133 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCC(C)(C)C1 ZINC000537691594 435462958 /nfs/dbraw/zinc/46/29/58/435462958.db2.gz ACXZIRIGQPWYAL-MLHJIOFPSA-N 2 1 308.510 3.386 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CC1CC1 ZINC000537849507 435470430 /nfs/dbraw/zinc/47/04/30/435470430.db2.gz WBGRFSSLCGLJQX-RBUKOAKNSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000568856653 435476919 /nfs/dbraw/zinc/47/69/19/435476919.db2.gz NTCMCBAJLIIVTM-LLVKDONJSA-N 2 1 302.447 3.046 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(-c3ccccc3)nc1)CC[NH2+]CC2 ZINC000515413376 435481360 /nfs/dbraw/zinc/48/13/60/435481360.db2.gz NDANEONDGDPIPJ-INIZCTEOSA-N 2 1 322.456 3.108 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000482693406 435479630 /nfs/dbraw/zinc/47/96/30/435479630.db2.gz OXRCQBVYOQHBSN-IEBWSBKVSA-N 2 1 311.473 3.415 20 0 DGADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000514838365 435441530 /nfs/dbraw/zinc/44/15/30/435441530.db2.gz PYFUBQCACBAGMD-FQEVSTJZSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000569119133 435505480 /nfs/dbraw/zinc/50/54/80/435505480.db2.gz YSJNYJUVOKRNHD-DOTOQJQBSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000569119133 435505484 /nfs/dbraw/zinc/50/54/84/435505484.db2.gz YSJNYJUVOKRNHD-DOTOQJQBSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000569119133 435505490 /nfs/dbraw/zinc/50/54/90/435505490.db2.gz YSJNYJUVOKRNHD-DOTOQJQBSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000569119133 435505496 /nfs/dbraw/zinc/50/54/96/435505496.db2.gz YSJNYJUVOKRNHD-DOTOQJQBSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000569119133 435505501 /nfs/dbraw/zinc/50/55/01/435505501.db2.gz YSJNYJUVOKRNHD-DOTOQJQBSA-N 2 1 321.896 3.335 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220207 435522381 /nfs/dbraw/zinc/52/23/81/435522381.db2.gz NWUFAVVNENAGEL-WMLDXEAASA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220207 435522385 /nfs/dbraw/zinc/52/23/85/435522385.db2.gz NWUFAVVNENAGEL-WMLDXEAASA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220207 435522390 /nfs/dbraw/zinc/52/23/90/435522390.db2.gz NWUFAVVNENAGEL-WMLDXEAASA-N 2 1 310.844 3.438 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000516436064 435530300 /nfs/dbraw/zinc/53/03/00/435530300.db2.gz PMRBHGFYAFUNOP-ROUUACIJSA-N 2 1 306.494 3.193 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000568898654 435481568 /nfs/dbraw/zinc/48/15/68/435481568.db2.gz ONELJSSAOVNDKM-APWZRJJASA-N 2 1 313.445 3.110 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCCOc2cc(C)ccc2C)CC1 ZINC000482839920 435483569 /nfs/dbraw/zinc/48/35/69/435483569.db2.gz WTIJVNOGHQTVNS-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCCOc2cc(C)ccc2C)CC1 ZINC000482839920 435483573 /nfs/dbraw/zinc/48/35/73/435483573.db2.gz WTIJVNOGHQTVNS-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482849143 435483661 /nfs/dbraw/zinc/48/36/61/435483661.db2.gz ZTPYKUYNOZQURD-HOJAQTOUSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCOC1 ZINC000482891593 435485685 /nfs/dbraw/zinc/48/56/85/435485685.db2.gz XKRITGJLLACLDC-OTWHNJEPSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000515466922 435486201 /nfs/dbraw/zinc/48/62/01/435486201.db2.gz FFOZNTCCVUVAFG-SJORKVTESA-N 2 1 324.534 3.347 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000515466922 435486208 /nfs/dbraw/zinc/48/62/08/435486208.db2.gz FFOZNTCCVUVAFG-SJORKVTESA-N 2 1 324.534 3.347 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000515469668 435486350 /nfs/dbraw/zinc/48/63/50/435486350.db2.gz XNWKIAQUYNFCKO-SFHVURJKSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000515500973 435489601 /nfs/dbraw/zinc/48/96/01/435489601.db2.gz XXZPJBZLUSWYPA-OAHLLOKOSA-N 2 1 315.461 3.142 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOCC(C)C)C2)s1 ZINC000515655932 435497710 /nfs/dbraw/zinc/49/77/10/435497710.db2.gz XGKHKQMUILNRFE-KRWDZBQOSA-N 2 1 324.534 3.483 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOCC(C)C)C2)s1 ZINC000515655932 435497717 /nfs/dbraw/zinc/49/77/17/435497717.db2.gz XGKHKQMUILNRFE-KRWDZBQOSA-N 2 1 324.534 3.483 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOCC(C)C)C2)s1 ZINC000515655932 435497722 /nfs/dbraw/zinc/49/77/22/435497722.db2.gz XGKHKQMUILNRFE-KRWDZBQOSA-N 2 1 324.534 3.483 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000569622618 435548977 /nfs/dbraw/zinc/54/89/77/435548977.db2.gz GUSDKWFAGHTGCN-LSTHTHJFSA-N 3 1 315.505 3.278 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000569713601 435555169 /nfs/dbraw/zinc/55/51/69/435555169.db2.gz WIPQRGFWSGBWAL-PMACEKPBSA-N 2 1 323.440 3.228 20 0 DGADMP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000484894541 435555355 /nfs/dbraw/zinc/55/53/55/435555355.db2.gz PAWDGZWVWRKJGC-KZNAEPCWSA-N 2 1 322.880 3.019 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000569706641 435555799 /nfs/dbraw/zinc/55/57/99/435555799.db2.gz QZJXZMGIQOGKOI-AWEZNQCLSA-N 2 1 319.836 3.332 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516981867 435568388 /nfs/dbraw/zinc/56/83/88/435568388.db2.gz YMHVVUVXXACNRS-LSTHTHJFSA-N 3 1 315.505 3.278 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000517078127 435575397 /nfs/dbraw/zinc/57/53/97/435575397.db2.gz NKISNSDGSYOPLH-SJORKVTESA-N 2 1 317.477 3.034 20 0 DGADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCc1cncn1C ZINC000569985741 435577757 /nfs/dbraw/zinc/57/77/57/435577757.db2.gz RNBHWCQXDKLCRS-KGLIPLIRSA-N 2 1 301.409 3.500 20 0 DGADMP C[C@H](c1ccc(F)c(Cl)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516659696 435545123 /nfs/dbraw/zinc/54/51/23/435545123.db2.gz BHWCGSWLKYZFRH-LLVKDONJSA-N 2 1 308.788 3.085 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000540627759 435610824 /nfs/dbraw/zinc/61/08/24/435610824.db2.gz IAXHXGCPYIGCEW-RLLQIKCJSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@@H](OCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548249 435621667 /nfs/dbraw/zinc/62/16/67/435621667.db2.gz QZPDQFBMMFAUON-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548249 435621671 /nfs/dbraw/zinc/62/16/71/435621671.db2.gz QZPDQFBMMFAUON-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000649548249 435621675 /nfs/dbraw/zinc/62/16/75/435621675.db2.gz QZPDQFBMMFAUON-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000649548249 435621679 /nfs/dbraw/zinc/62/16/79/435621679.db2.gz QZPDQFBMMFAUON-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000645397891 435635447 /nfs/dbraw/zinc/63/54/47/435635447.db2.gz HYZBGTLXXYLQJP-IHPCNDPISA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)Oc1cccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000570173824 435596366 /nfs/dbraw/zinc/59/63/66/435596366.db2.gz PLKTXWSVBGGOFC-OAHLLOKOSA-N 2 1 301.434 3.491 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000540285846 435596579 /nfs/dbraw/zinc/59/65/79/435596579.db2.gz QNPRKBQCKFJBSE-GOEBONIOSA-N 2 1 306.413 3.232 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1noc2c1CCCC2 ZINC000640530307 435598486 /nfs/dbraw/zinc/59/84/86/435598486.db2.gz BEEWQRYLCFPUHZ-UHFFFAOYSA-N 2 1 305.466 3.251 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1noc2c1CCCC2 ZINC000640530307 435598490 /nfs/dbraw/zinc/59/84/90/435598490.db2.gz BEEWQRYLCFPUHZ-UHFFFAOYSA-N 2 1 305.466 3.251 20 0 DGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517572495 435601794 /nfs/dbraw/zinc/60/17/94/435601794.db2.gz MNLURTFNFCHYKZ-DZGCQCFKSA-N 2 1 305.466 3.355 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000570289641 435606374 /nfs/dbraw/zinc/60/63/74/435606374.db2.gz GXAHGQSMEJSBMO-PKOBYXMFSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000570289641 435606377 /nfs/dbraw/zinc/60/63/77/435606377.db2.gz GXAHGQSMEJSBMO-PKOBYXMFSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000570289641 435606379 /nfs/dbraw/zinc/60/63/79/435606379.db2.gz GXAHGQSMEJSBMO-PKOBYXMFSA-N 2 1 304.478 3.143 20 0 DGADMP CCOCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603979 435640177 /nfs/dbraw/zinc/64/01/77/435640177.db2.gz MMQNTWKQWMTRSK-INIZCTEOSA-N 2 1 310.507 3.237 20 0 DGADMP CCOCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603979 435640181 /nfs/dbraw/zinc/64/01/81/435640181.db2.gz MMQNTWKQWMTRSK-INIZCTEOSA-N 2 1 310.507 3.237 20 0 DGADMP CC1CC[NH+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000518763449 435652550 /nfs/dbraw/zinc/65/25/50/435652550.db2.gz LTBKETGCJUGPLZ-UHFFFAOYSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@H](CCNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000548064408 435664200 /nfs/dbraw/zinc/66/42/00/435664200.db2.gz VRWSNHMZCXVZKM-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccn21 ZINC000570932078 435664639 /nfs/dbraw/zinc/66/46/39/435664639.db2.gz JDBJDMBJHAFNMB-CABCVRRESA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccn21 ZINC000570932078 435664641 /nfs/dbraw/zinc/66/46/41/435664641.db2.gz JDBJDMBJHAFNMB-CABCVRRESA-N 2 1 312.461 3.173 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC[C@@H]3CCOC3)C2)CC1 ZINC000645786828 435690809 /nfs/dbraw/zinc/69/08/09/435690809.db2.gz DGMSBLJHLXXHKL-MOPGFXCFSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000519633786 435694841 /nfs/dbraw/zinc/69/48/41/435694841.db2.gz ZHCMWRIZANHPGX-QGZVFWFLSA-N 2 1 309.542 3.161 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483667 435697237 /nfs/dbraw/zinc/69/72/37/435697237.db2.gz HDSBBWPBNPTMTH-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655711553 435741806 /nfs/dbraw/zinc/74/18/06/435741806.db2.gz LLQJWCOAJLGZOI-UYAOXDASSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655711553 435741807 /nfs/dbraw/zinc/74/18/07/435741807.db2.gz LLQJWCOAJLGZOI-UYAOXDASSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655711553 435741809 /nfs/dbraw/zinc/74/18/09/435741809.db2.gz LLQJWCOAJLGZOI-UYAOXDASSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ccoc1CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000491401480 435742773 /nfs/dbraw/zinc/74/27/73/435742773.db2.gz PNQTUCQWXBVSFT-UHFFFAOYSA-N 2 1 305.447 3.101 20 0 DGADMP Cc1ccoc1CNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000491401480 435742781 /nfs/dbraw/zinc/74/27/81/435742781.db2.gz PNQTUCQWXBVSFT-UHFFFAOYSA-N 2 1 305.447 3.101 20 0 DGADMP FC1(F)C[C@]12CC[NH+](CCCC[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649906685 435749996 /nfs/dbraw/zinc/74/99/96/435749996.db2.gz AIBFRXBXTGPMNR-KBPBESRZSA-N 2 1 320.374 3.229 20 0 DGADMP Clc1ccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655725037 435751890 /nfs/dbraw/zinc/75/18/90/435751890.db2.gz LLIFHWOHQKPUSR-SFHVURJKSA-N 2 1 322.880 3.116 20 0 DGADMP c1ccc(C2CC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655727067 435752872 /nfs/dbraw/zinc/75/28/72/435752872.db2.gz IUGNRVDRICCIER-UUKMXZOPSA-N 2 1 314.473 3.166 20 0 DGADMP Cc1cccc(C)c1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733132 435757280 /nfs/dbraw/zinc/75/72/80/435757280.db2.gz IZZALUSESGJMLJ-LJQANCHMSA-N 2 1 316.489 3.079 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCC[C@@H]3CCOC3)CC2)n2c1CCCC2 ZINC000645895046 435712928 /nfs/dbraw/zinc/71/29/28/435712928.db2.gz UEUVYNLGNBTLPI-MRXNPFEDSA-N 2 1 317.477 3.216 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651680512 435790714 /nfs/dbraw/zinc/79/07/14/435790714.db2.gz JTSJREQUJDHLQB-RBUKOAKNSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651680512 435790716 /nfs/dbraw/zinc/79/07/16/435790716.db2.gz JTSJREQUJDHLQB-RBUKOAKNSA-N 2 1 324.472 3.206 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000641708162 435792829 /nfs/dbraw/zinc/79/28/29/435792829.db2.gz PQFMOZYQIGUCHR-MOPGFXCFSA-N 2 1 324.472 3.286 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000641708162 435792833 /nfs/dbraw/zinc/79/28/33/435792833.db2.gz PQFMOZYQIGUCHR-MOPGFXCFSA-N 2 1 324.472 3.286 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC2CCC1CC2 ZINC000655780826 435796306 /nfs/dbraw/zinc/79/63/06/435796306.db2.gz LYHQTFGKMTXFSZ-ZVWUZSKRSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000550704016 435811355 /nfs/dbraw/zinc/81/13/55/435811355.db2.gz RFSDRWUHPIALHF-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000551006708 435816520 /nfs/dbraw/zinc/81/65/20/435816520.db2.gz IKMHEYLKSDUFQJ-RBUKOAKNSA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000551006708 435816525 /nfs/dbraw/zinc/81/65/25/435816525.db2.gz IKMHEYLKSDUFQJ-RBUKOAKNSA-N 2 1 312.461 3.088 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551039661 435820608 /nfs/dbraw/zinc/82/06/08/435820608.db2.gz UARXSMWDWDFVSW-BHIYHBOVSA-N 2 1 304.478 3.210 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551039661 435820617 /nfs/dbraw/zinc/82/06/17/435820617.db2.gz UARXSMWDWDFVSW-BHIYHBOVSA-N 2 1 304.478 3.210 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000660472863 435767999 /nfs/dbraw/zinc/76/79/99/435767999.db2.gz AAYOOEWEEHNIAJ-FQEVSTJZSA-N 2 1 316.489 3.114 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)C1 ZINC000520838321 435775633 /nfs/dbraw/zinc/77/56/33/435775633.db2.gz XJTHYABDQVYMAJ-ZJUUUORDSA-N 2 1 319.193 3.087 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCc3c1cccc3Cl)CCO2 ZINC000646106002 435780981 /nfs/dbraw/zinc/78/09/81/435780981.db2.gz OOWIWMWUYPIVQB-QGZVFWFLSA-N 2 1 320.864 3.124 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCc3c1cccc3Cl)CCO2 ZINC000646106002 435780984 /nfs/dbraw/zinc/78/09/84/435780984.db2.gz OOWIWMWUYPIVQB-QGZVFWFLSA-N 2 1 320.864 3.124 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000655771386 435786588 /nfs/dbraw/zinc/78/65/88/435786588.db2.gz JOGXVKJZWRJNEB-QAPCUYQASA-N 2 1 320.452 3.428 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000641799507 435828449 /nfs/dbraw/zinc/82/84/49/435828449.db2.gz QGXITOBJGXVZRQ-KZNAEPCWSA-N 2 1 306.494 3.190 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccn1 ZINC000551268450 435828804 /nfs/dbraw/zinc/82/88/04/435828804.db2.gz WQUUVOYNOYTJBT-OAGGEKHMSA-N 2 1 305.466 3.109 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803656 435828978 /nfs/dbraw/zinc/82/89/78/435828978.db2.gz DEYOKUDQKMIFGN-CWRNSKLLSA-N 2 1 317.477 3.161 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000641800316 435829279 /nfs/dbraw/zinc/82/92/79/435829279.db2.gz ZIMZSADMNWVNEE-UONOGXRCSA-N 2 1 301.459 3.118 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1Oc1ccccc1 ZINC000551543401 435839344 /nfs/dbraw/zinc/83/93/44/435839344.db2.gz VZHCCRGTDQVVGK-KFKAGJAMSA-N 2 1 314.473 3.306 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(-c3ccccc3)on1)C2 ZINC000660657119 435840748 /nfs/dbraw/zinc/84/07/48/435840748.db2.gz VUJRCNWMWRNHAM-IBGZPJMESA-N 2 1 311.429 3.259 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652477 435843023 /nfs/dbraw/zinc/84/30/23/435843023.db2.gz JSBGCZVZLAEKNU-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652477 435843027 /nfs/dbraw/zinc/84/30/27/435843027.db2.gz JSBGCZVZLAEKNU-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652477 435843032 /nfs/dbraw/zinc/84/30/32/435843032.db2.gz JSBGCZVZLAEKNU-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652477 435843047 /nfs/dbraw/zinc/84/30/47/435843047.db2.gz JSBGCZVZLAEKNU-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1coc(-c3ccccc3)n1)C2 ZINC000660656143 435844160 /nfs/dbraw/zinc/84/41/60/435844160.db2.gz QDJMGUWBPTVZII-LJQANCHMSA-N 2 1 311.429 3.259 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000651865086 435846398 /nfs/dbraw/zinc/84/63/98/435846398.db2.gz NDTZVVSAXOWUIX-UHFFFAOYSA-N 2 1 314.477 3.155 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCOCc1ccccc1)C2 ZINC000660662654 435848370 /nfs/dbraw/zinc/84/83/70/435848370.db2.gz KMYYQJFNQAZZPQ-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000572631846 435850210 /nfs/dbraw/zinc/85/02/10/435850210.db2.gz JEDDMHOZKXFVBR-HOCLYGCPSA-N 2 1 308.491 3.026 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000572631846 435850216 /nfs/dbraw/zinc/85/02/16/435850216.db2.gz JEDDMHOZKXFVBR-HOCLYGCPSA-N 2 1 308.491 3.026 20 0 DGADMP Cc1cn2c(C[NH2+]CCC[N@@H+](C)CC(C)C)c(C)nc2s1 ZINC000651866890 435850630 /nfs/dbraw/zinc/85/06/30/435850630.db2.gz UVNOZBRVJQLFIB-UHFFFAOYSA-N 2 1 308.495 3.080 20 0 DGADMP Cc1cn2c(C[NH2+]CCC[N@H+](C)CC(C)C)c(C)nc2s1 ZINC000651866890 435850638 /nfs/dbraw/zinc/85/06/38/435850638.db2.gz UVNOZBRVJQLFIB-UHFFFAOYSA-N 2 1 308.495 3.080 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000651865917 435850842 /nfs/dbraw/zinc/85/08/42/435850842.db2.gz MNPCHDXYPGGBQA-UHFFFAOYSA-N 2 1 303.494 3.223 20 0 DGADMP CCC(=O)N1CCC([NH2+]CCC[N@H+](CC)C2CCCCC2)CC1 ZINC000651909956 435861507 /nfs/dbraw/zinc/86/15/07/435861507.db2.gz BKPFZDNOUUMEQT-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP COCc1ccccc1/C=C(\C)CNCC[N@@H+]1CC[C@@H](C)C1 ZINC000552009571 435869170 /nfs/dbraw/zinc/86/91/70/435869170.db2.gz OJRQWRVVYWPEBH-QRYYFKOISA-N 2 1 302.462 3.168 20 0 DGADMP COCc1ccccc1/C=C(\C)CNCC[N@H+]1CC[C@@H](C)C1 ZINC000552009571 435869175 /nfs/dbraw/zinc/86/91/75/435869175.db2.gz OJRQWRVVYWPEBH-QRYYFKOISA-N 2 1 302.462 3.168 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC23CC3)cc1 ZINC000651934059 435871583 /nfs/dbraw/zinc/87/15/83/435871583.db2.gz VIPFOWGSBFWSBG-MKXGPGLRSA-N 2 1 312.457 3.093 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC23CC3)cc1 ZINC000651934059 435871588 /nfs/dbraw/zinc/87/15/88/435871588.db2.gz VIPFOWGSBFWSBG-MKXGPGLRSA-N 2 1 312.457 3.093 20 0 DGADMP Cc1cc(F)ccc1C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660605896 435822842 /nfs/dbraw/zinc/82/28/42/435822842.db2.gz LZVLRBQYUIEQOU-GOSISDBHSA-N 2 1 322.468 3.015 20 0 DGADMP Cc1cc(F)ccc1C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660605896 435822849 /nfs/dbraw/zinc/82/28/49/435822849.db2.gz LZVLRBQYUIEQOU-GOSISDBHSA-N 2 1 322.468 3.015 20 0 DGADMP C[C@@H]([NH2+]CCC1(CO)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652038577 435893322 /nfs/dbraw/zinc/89/33/22/435893322.db2.gz YIMOGTNHGHAZTF-IEBWSBKVSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277103 435936005 /nfs/dbraw/zinc/93/60/05/435936005.db2.gz TXKYPOSLONIRPO-SCTDSRPQSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277103 435936008 /nfs/dbraw/zinc/93/60/08/435936008.db2.gz TXKYPOSLONIRPO-SCTDSRPQSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277103 435936010 /nfs/dbraw/zinc/93/60/10/435936010.db2.gz TXKYPOSLONIRPO-SCTDSRPQSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277101 435936454 /nfs/dbraw/zinc/93/64/54/435936454.db2.gz TXKYPOSLONIRPO-JENIJYKNSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277101 435936459 /nfs/dbraw/zinc/93/64/59/435936459.db2.gz TXKYPOSLONIRPO-JENIJYKNSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277101 435936463 /nfs/dbraw/zinc/93/64/63/435936463.db2.gz TXKYPOSLONIRPO-JENIJYKNSA-N 3 1 315.505 3.004 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C(C)(C)C)c1)CCO2 ZINC000660902650 435917358 /nfs/dbraw/zinc/91/73/58/435917358.db2.gz FNAJBRCYNRZFRN-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)CNC1(c2ccccc2Cl)CCC1 ZINC000660911273 435920876 /nfs/dbraw/zinc/92/08/76/435920876.db2.gz RVUKNRXYRVUHMA-AWEZNQCLSA-N 2 1 310.869 3.010 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC000652222722 435925768 /nfs/dbraw/zinc/92/57/68/435925768.db2.gz WCMWEOCXNYJESF-HNNXBMFYSA-N 2 1 305.466 3.274 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCC1)CCCS2 ZINC000665248311 435928605 /nfs/dbraw/zinc/92/86/05/435928605.db2.gz UUNKQEDQXQOYNI-OAHLLOKOSA-N 2 1 306.475 3.483 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCCC1 ZINC000665246469 435929045 /nfs/dbraw/zinc/92/90/45/435929045.db2.gz GGQXMBGGBCCIAP-KRWDZBQOSA-N 2 1 310.445 3.111 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000665255091 435930168 /nfs/dbraw/zinc/93/01/68/435930168.db2.gz IOMHHWYIWKBIBP-FDPIWHGQSA-N 2 1 302.462 3.309 20 0 DGADMP CC[N@H+](CCC[NH2+][C@H]1CCCc2c1cnn2C)C1CCCCC1 ZINC000652237680 435931173 /nfs/dbraw/zinc/93/11/73/435931173.db2.gz ZEOVTCFYPWTEQJ-SFHVURJKSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H]1CCCc2c1cnn2C)C1CCCCC1 ZINC000652237680 435931176 /nfs/dbraw/zinc/93/11/76/435931176.db2.gz ZEOVTCFYPWTEQJ-SFHVURJKSA-N 2 1 318.509 3.432 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC2CC2)cc1F ZINC000665259452 435932057 /nfs/dbraw/zinc/93/20/57/435932057.db2.gz GMOROJFQTSDWTP-PVUWLOKVSA-N 2 1 306.425 3.058 20 0 DGADMP C1C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000665268891 435934321 /nfs/dbraw/zinc/93/43/21/435934321.db2.gz XJGSCCNMIBHSGA-OJAHFUOMSA-N 2 1 319.537 3.294 20 0 DGADMP CC(C)(C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707587 435994368 /nfs/dbraw/zinc/99/43/68/435994368.db2.gz JAHUFELOKNQWBC-WDSOQIARSA-N 2 1 316.489 3.183 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000652358494 435958778 /nfs/dbraw/zinc/95/87/78/435958778.db2.gz LHTCLNQLTVPANR-OALUTQOASA-N 2 1 316.489 3.482 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCSc2ccccc2)C1 ZINC000652362085 435958941 /nfs/dbraw/zinc/95/89/41/435958941.db2.gz WYFARRLWTVLNKK-KBAYOESNSA-N 2 1 320.502 3.140 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647174642 435960922 /nfs/dbraw/zinc/96/09/22/435960922.db2.gz HSPWNNXZUWNLRP-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647174642 435960928 /nfs/dbraw/zinc/96/09/28/435960928.db2.gz HSPWNNXZUWNLRP-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647176824 435962567 /nfs/dbraw/zinc/96/25/67/435962567.db2.gz AGACPZTUKKXCHA-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647176824 435962572 /nfs/dbraw/zinc/96/25/72/435962572.db2.gz AGACPZTUKKXCHA-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Cl ZINC000650707234 435994478 /nfs/dbraw/zinc/99/44/78/435994478.db2.gz BKGPOEGHHAQAFN-JZXOWHBKSA-N 2 1 322.880 3.367 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647189514 435968106 /nfs/dbraw/zinc/96/81/06/435968106.db2.gz ZXHNPKRHGMRKOZ-UHFFFAOYSA-N 2 1 304.425 3.043 20 0 DGADMP CC[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708002 435994646 /nfs/dbraw/zinc/99/46/46/435994646.db2.gz RIQRLHTWUYWCCP-MDNKFWRPSA-N 2 1 316.489 3.399 20 0 DGADMP CCOc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000656640836 435988804 /nfs/dbraw/zinc/98/88/04/435988804.db2.gz TWMYBGVNOKDARC-MRXNPFEDSA-N 2 1 316.489 3.480 20 0 DGADMP CC1(C)C[C@H]([N@@H+](CCCn2ccnc2)Cc2ccccc2)CO1 ZINC000661198547 435993501 /nfs/dbraw/zinc/99/35/01/435993501.db2.gz LFIBTAVAENFVAW-SFHVURJKSA-N 2 1 313.445 3.343 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000647151154 435949647 /nfs/dbraw/zinc/94/96/47/435949647.db2.gz YRHPFTSGUSPAGP-INIZCTEOSA-N 2 1 314.433 3.393 20 0 DGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347577 435953451 /nfs/dbraw/zinc/95/34/51/435953451.db2.gz DTTJMNZTNCZYNJ-FSZRXZPDSA-N 2 1 306.425 3.105 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000652348193 435956832 /nfs/dbraw/zinc/95/68/32/435956832.db2.gz XEVYHBMHMZVUOP-CUDHKJQZSA-N 2 1 314.473 3.282 20 0 DGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349138 435957646 /nfs/dbraw/zinc/95/76/46/435957646.db2.gz BXCUTOWZEIUJMF-USXIJHARSA-N 2 1 320.502 3.127 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)[C@H]1CC[NH3+] ZINC000650710968 435997616 /nfs/dbraw/zinc/99/76/16/435997616.db2.gz DUQJIMAJIKFCIX-CJNGLKHVSA-N 2 1 312.404 3.280 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CNc4ccccc4C3)CC[NH2+]2)cc1 ZINC000650715179 436001839 /nfs/dbraw/zinc/00/18/39/436001839.db2.gz SMZHCKRXAHPMQY-HBFSDRIKSA-N 2 1 307.441 3.106 20 0 DGADMP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(Cl)c1 ZINC000650718707 436003446 /nfs/dbraw/zinc/00/34/46/436003446.db2.gz UHMWQNMWJBVGAK-UHFFFAOYSA-N 2 1 308.784 3.236 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)s1 ZINC000650722908 436006201 /nfs/dbraw/zinc/00/62/01/436006201.db2.gz DKIKODSSSWNSEC-GVDBMIGSSA-N 2 1 308.491 3.226 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650722995 436006466 /nfs/dbraw/zinc/00/64/66/436006466.db2.gz FTRNXBOLQOVNPC-IAOVAPTHSA-N 2 1 308.491 3.171 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC000650724941 436007603 /nfs/dbraw/zinc/00/76/03/436007603.db2.gz PKMZCKNITNOHKF-MISYRCLQSA-N 2 1 314.473 3.036 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000650724373 436007996 /nfs/dbraw/zinc/00/79/96/436007996.db2.gz DMMJYQARNZIUIE-HSALFYBXSA-N 2 1 314.473 3.425 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC000650724940 436008049 /nfs/dbraw/zinc/00/80/49/436008049.db2.gz PKMZCKNITNOHKF-HOJAQTOUSA-N 2 1 314.473 3.036 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC(F)F)[C@H](C)C1 ZINC000647318324 436012276 /nfs/dbraw/zinc/01/22/76/436012276.db2.gz LZDYPSBUJDJMRO-KFWWJZLASA-N 2 1 306.441 3.004 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c(F)c1 ZINC000650753396 436018658 /nfs/dbraw/zinc/01/86/58/436018658.db2.gz MNPZTGRCZXSBQB-MRXNPFEDSA-N 2 1 306.331 3.340 20 0 DGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344539 436024757 /nfs/dbraw/zinc/02/47/57/436024757.db2.gz TVWYBSGAZJSGAA-POAQFYNOSA-N 2 1 309.457 3.386 20 0 DGADMP COC1(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000647344361 436025119 /nfs/dbraw/zinc/02/51/19/436025119.db2.gz OWEBUQOCKFMRRL-UHOSZYNNSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647344763 436025506 /nfs/dbraw/zinc/02/55/06/436025506.db2.gz YVFOPAVCICZNOJ-DBVUQKKJSA-N 2 1 309.457 3.386 20 0 DGADMP Cn1cc(C[NH2+]CC2([NH3+])CCCC2)c(-c2cc3ccccc3o2)n1 ZINC000656788404 436047121 /nfs/dbraw/zinc/04/71/21/436047121.db2.gz NUGNSCZTKHJRQG-UHFFFAOYSA-N 2 1 324.428 3.194 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000650706536 435996151 /nfs/dbraw/zinc/99/61/51/435996151.db2.gz MUNKJTPOPUHFHA-NSHGMRRFSA-N 2 1 314.473 3.282 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000650707203 435996502 /nfs/dbraw/zinc/99/65/02/435996502.db2.gz ACPYOITXYWUVGS-XSLAGTTESA-N 2 1 308.510 3.421 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2c1 ZINC000650709791 435997197 /nfs/dbraw/zinc/99/71/97/435997197.db2.gz QLKPDKMPTYBXPY-KSSFIOAISA-N 2 1 300.402 3.002 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480407 436060738 /nfs/dbraw/zinc/06/07/38/436060738.db2.gz MJJZCKOZLNQJQN-MJGOQNOKSA-N 2 1 324.472 3.349 20 0 DGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000647479796 436060964 /nfs/dbraw/zinc/06/09/64/436060964.db2.gz UUHOPJLKOQGAGX-OALUTQOASA-N 2 1 314.473 3.018 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000647479615 436061549 /nfs/dbraw/zinc/06/15/49/436061549.db2.gz NEUNUTGLUOMXMJ-XJKSGUPXSA-N 2 1 316.474 3.102 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000647479615 436061552 /nfs/dbraw/zinc/06/15/52/436061552.db2.gz NEUNUTGLUOMXMJ-XJKSGUPXSA-N 2 1 316.474 3.102 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487580 436062587 /nfs/dbraw/zinc/06/25/87/436062587.db2.gz LWGXDVZPSGDYCC-OLZOCXBDSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487580 436062592 /nfs/dbraw/zinc/06/25/92/436062592.db2.gz LWGXDVZPSGDYCC-OLZOCXBDSA-N 2 1 311.267 3.223 20 0 DGADMP Cc1nc2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2s1 ZINC000647482512 436063703 /nfs/dbraw/zinc/06/37/03/436063703.db2.gz LBGXTBADHBGLDS-UHFFFAOYSA-N 2 1 301.459 3.321 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)CC[C@@H]1[NH3+] ZINC000647497713 436065241 /nfs/dbraw/zinc/06/52/41/436065241.db2.gz SHPLNTSZFGATLF-UNEWFSDZSA-N 2 1 308.441 3.072 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498499 436065885 /nfs/dbraw/zinc/06/58/85/436065885.db2.gz IZQAYQCNAOTFKF-SJORKVTESA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498499 436065892 /nfs/dbraw/zinc/06/58/92/436065892.db2.gz IZQAYQCNAOTFKF-SJORKVTESA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647498176 436066666 /nfs/dbraw/zinc/06/66/66/436066666.db2.gz CDUCUHQAXPPGJL-HOTGVXAUSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647498176 436066670 /nfs/dbraw/zinc/06/66/70/436066670.db2.gz CDUCUHQAXPPGJL-HOTGVXAUSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cccc(OC)c2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498278 436067036 /nfs/dbraw/zinc/06/70/36/436067036.db2.gz DMQHGBQOXAAYMG-ZBFHGGJFSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498278 436067039 /nfs/dbraw/zinc/06/70/39/436067039.db2.gz DMQHGBQOXAAYMG-ZBFHGGJFSA-N 2 1 306.450 3.042 20 0 DGADMP C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)CC(C)(C)C[NH3+] ZINC000647506012 436068308 /nfs/dbraw/zinc/06/83/08/436068308.db2.gz YINNJDMEJSVMRT-UHFFFAOYSA-N 2 1 320.868 3.002 20 0 DGADMP C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)CC(C)(C)C[NH3+] ZINC000647506012 436068314 /nfs/dbraw/zinc/06/83/14/436068314.db2.gz YINNJDMEJSVMRT-UHFFFAOYSA-N 2 1 320.868 3.002 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543125 436077052 /nfs/dbraw/zinc/07/70/52/436077052.db2.gz HWKKQPFEKSYPHF-MSOLQXFVSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543125 436077054 /nfs/dbraw/zinc/07/70/54/436077054.db2.gz HWKKQPFEKSYPHF-MSOLQXFVSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543125 436077059 /nfs/dbraw/zinc/07/70/59/436077059.db2.gz HWKKQPFEKSYPHF-MSOLQXFVSA-N 2 1 324.472 3.288 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543617 436077147 /nfs/dbraw/zinc/07/71/47/436077147.db2.gz QIMSUQYAIKRLIN-CVEARBPZSA-N 2 1 306.425 3.046 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543868 436077338 /nfs/dbraw/zinc/07/73/38/436077338.db2.gz TUJDKLAFWVFSPT-SJORKVTESA-N 2 1 302.462 3.297 20 0 DGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2cn1 ZINC000647543809 436078804 /nfs/dbraw/zinc/07/88/04/436078804.db2.gz SJSIHHASKYVGHN-AZUAARDMSA-N 2 1 309.457 3.446 20 0 DGADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543088 436079304 /nfs/dbraw/zinc/07/93/04/436079304.db2.gz HMLMCIPNIZIVIY-LSDHHAIUSA-N 2 1 305.491 3.232 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2cccc(F)c2)cc1 ZINC000647801216 436126239 /nfs/dbraw/zinc/12/62/39/436126239.db2.gz RLWIFMKDKRWAHG-RBUKOAKNSA-N 2 1 314.404 3.374 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1cnc2n1CCC2)c1nc2ccccc2[nH]1 ZINC000657308926 436128716 /nfs/dbraw/zinc/12/87/16/436128716.db2.gz YTRZNDWJQLREJR-QGZVFWFLSA-N 2 1 309.417 3.193 20 0 DGADMP COCc1csc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000657312163 436132819 /nfs/dbraw/zinc/13/28/19/436132819.db2.gz DMJGTHKWECKJHF-GJZGRUSLSA-N 2 1 310.507 3.352 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000647848385 436133391 /nfs/dbraw/zinc/13/33/91/436133391.db2.gz PBEJRSLVADIVBF-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP C[C@H]1C[C@@H]1c1ccc(CNCc2ccnn2-c2ccncc2)o1 ZINC000657317968 436134952 /nfs/dbraw/zinc/13/49/52/436134952.db2.gz GPGLDPBCCYFQSW-GUYCJALGSA-N 2 1 308.385 3.274 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1F ZINC000661659457 436139937 /nfs/dbraw/zinc/13/99/37/436139937.db2.gz ZBQCMECHWKBFQB-WBVHZDCISA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1F ZINC000661659457 436139943 /nfs/dbraw/zinc/13/99/43/436139943.db2.gz ZBQCMECHWKBFQB-WBVHZDCISA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1F ZINC000661659457 436139948 /nfs/dbraw/zinc/13/99/48/436139948.db2.gz ZBQCMECHWKBFQB-WBVHZDCISA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1F ZINC000661659457 436139956 /nfs/dbraw/zinc/13/99/56/436139956.db2.gz ZBQCMECHWKBFQB-WBVHZDCISA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc(CC[N@H+](Cc2ccccc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884166 436140863 /nfs/dbraw/zinc/14/08/63/436140863.db2.gz WSWNSGILKWNAHX-HXUWFJFHSA-N 2 1 324.468 3.349 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000647888026 436142979 /nfs/dbraw/zinc/14/29/79/436142979.db2.gz BQUBKRGMVGZVFF-ZDUSSCGKSA-N 2 1 323.278 3.022 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000647886724 436143086 /nfs/dbraw/zinc/14/30/86/436143086.db2.gz OMAPMJLYCSFYGP-HNAYVOBHSA-N 2 1 320.452 3.367 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657334972 436143549 /nfs/dbraw/zinc/14/35/49/436143549.db2.gz JAYWFWUDOPBOSJ-AWEZNQCLSA-N 2 1 306.425 3.187 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657334972 436143555 /nfs/dbraw/zinc/14/35/55/436143555.db2.gz JAYWFWUDOPBOSJ-AWEZNQCLSA-N 2 1 306.425 3.187 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CNCc2ccc(F)c(F)c2F)C1 ZINC000657348184 436152224 /nfs/dbraw/zinc/15/22/24/436152224.db2.gz NDWMSYJGGDZFTI-GFCCVEGCSA-N 2 1 300.368 3.314 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1c[nH+]ccc1N ZINC000647800417 436124085 /nfs/dbraw/zinc/12/40/85/436124085.db2.gz AXHHEXHPVZCZFH-OLZOCXBDSA-N 2 1 315.442 3.088 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@H]1CCCC[NH2+]1 ZINC000647800403 436124174 /nfs/dbraw/zinc/12/41/74/436124174.db2.gz ASBTZGCYVLOBLN-QLFBSQMISA-N 2 1 306.475 3.050 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000647963823 436159975 /nfs/dbraw/zinc/15/99/75/436159975.db2.gz CRGRDBZRAYBAPM-FCGDIQPGSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000647963823 436159983 /nfs/dbraw/zinc/15/99/83/436159983.db2.gz CRGRDBZRAYBAPM-FCGDIQPGSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965555 436160494 /nfs/dbraw/zinc/16/04/94/436160494.db2.gz AEQPCHVJGYZXII-UAGQMJEPSA-N 2 1 308.466 3.062 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CO1 ZINC000657365557 436161107 /nfs/dbraw/zinc/16/11/07/436161107.db2.gz IAENURROJNCKMW-KFKAGJAMSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1C ZINC000647965381 436161155 /nfs/dbraw/zinc/16/11/55/436161155.db2.gz UVJGNICAJHLPSO-HKUYNNGSSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1C ZINC000647965381 436161160 /nfs/dbraw/zinc/16/11/60/436161160.db2.gz UVJGNICAJHLPSO-HKUYNNGSSA-N 2 1 304.478 3.141 20 0 DGADMP c1ccc(COCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978730 436167026 /nfs/dbraw/zinc/16/70/26/436167026.db2.gz XJJHLCRYYTWIDT-PMACEKPBSA-N 2 1 316.489 3.305 20 0 DGADMP C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)CC1CCOCC1 ZINC000647978529 436167167 /nfs/dbraw/zinc/16/71/67/436167167.db2.gz TZNPGPYMFNQKRC-OALUTQOASA-N 2 1 308.510 3.295 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000647997636 436172512 /nfs/dbraw/zinc/17/25/12/436172512.db2.gz UWVPWFSKJBZCMT-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CO1 ZINC000657388905 436173243 /nfs/dbraw/zinc/17/32/43/436173243.db2.gz QDWSDPMODIVOKV-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CO1 ZINC000657388905 436173246 /nfs/dbraw/zinc/17/32/46/436173246.db2.gz QDWSDPMODIVOKV-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657416178 436188251 /nfs/dbraw/zinc/18/82/51/436188251.db2.gz RAUWJSPAPPKKEE-BTHPGYMESA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072321 436204157 /nfs/dbraw/zinc/20/41/57/436204157.db2.gz XZKBETMUHMPLBV-SFHVURJKSA-N 2 1 316.489 3.052 20 0 DGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423469448 301443784 /nfs/dbraw/zinc/44/37/84/301443784.db2.gz FWEXXOAEVBWSIQ-HOCLYGCPSA-N 2 1 324.415 3.352 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2noc3ccccc32)[C@@H](C)C1 ZINC000653582117 436214743 /nfs/dbraw/zinc/21/47/43/436214743.db2.gz XSOVHOYAXPGSSB-WMLDXEAASA-N 2 1 301.434 3.032 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657491848 436225054 /nfs/dbraw/zinc/22/50/54/436225054.db2.gz LAIRDZJLKUAKKY-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000666852147 436293175 /nfs/dbraw/zinc/29/31/75/436293175.db2.gz LAHJBGPQSRRTCA-UWVGGRQHSA-N 2 1 304.768 3.301 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000666852117 436293933 /nfs/dbraw/zinc/29/39/33/436293933.db2.gz HVGRHDYOCLBHAZ-UONOGXRCSA-N 2 1 317.458 3.178 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705128 436248083 /nfs/dbraw/zinc/24/80/83/436248083.db2.gz RGJKZIBFEIBRJS-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705128 436248088 /nfs/dbraw/zinc/24/80/88/436248088.db2.gz RGJKZIBFEIBRJS-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705128 436248093 /nfs/dbraw/zinc/24/80/93/436248093.db2.gz RGJKZIBFEIBRJS-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705128 436248097 /nfs/dbraw/zinc/24/80/97/436248097.db2.gz RGJKZIBFEIBRJS-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP FC(F)(F)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)OC1CCCC1 ZINC000657588181 436254168 /nfs/dbraw/zinc/25/41/68/436254168.db2.gz PCBGIGAWPRVOLJ-GUTXKFCHSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC1CCCC1 ZINC000657588181 436254172 /nfs/dbraw/zinc/25/41/72/436254172.db2.gz PCBGIGAWPRVOLJ-GUTXKFCHSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC1CCCC1 ZINC000657588181 436254175 /nfs/dbraw/zinc/25/41/75/436254175.db2.gz PCBGIGAWPRVOLJ-GUTXKFCHSA-N 2 1 320.399 3.093 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC3CCCCCC3)cc2)C1 ZINC000657594235 436257491 /nfs/dbraw/zinc/25/74/91/436257491.db2.gz HCHZERIEPHJCAU-HXUWFJFHSA-N 2 1 316.489 3.313 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)C1 ZINC000657594934 436257816 /nfs/dbraw/zinc/25/78/16/436257816.db2.gz LIPWLVDACULNSF-HXRGIAOBSA-N 2 1 322.452 3.056 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657612419 436260141 /nfs/dbraw/zinc/26/01/41/436260141.db2.gz XHOLWQCSCQVOBG-WNHJNPCNSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657612419 436260146 /nfs/dbraw/zinc/26/01/46/436260146.db2.gz XHOLWQCSCQVOBG-WNHJNPCNSA-N 2 1 302.462 3.197 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cs2)cc1 ZINC000666743765 436274678 /nfs/dbraw/zinc/27/46/78/436274678.db2.gz BEMJAMKIMGKNPK-BBRMVZONSA-N 2 1 317.458 3.036 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C12CCC2 ZINC000657701856 436282219 /nfs/dbraw/zinc/28/22/19/436282219.db2.gz CPPQUTVFSFEVSL-LTIDMASMSA-N 2 1 306.494 3.329 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1nsc2ccccc12 ZINC000657771034 436300240 /nfs/dbraw/zinc/30/02/40/436300240.db2.gz YVIZPYAQVGWZPS-UHFFFAOYSA-N 2 1 312.442 3.090 20 0 DGADMP FC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657773331 436300714 /nfs/dbraw/zinc/30/07/14/436300714.db2.gz QLOBYLVSHUPZLW-QGZVFWFLSA-N 2 1 302.437 3.380 20 0 DGADMP COCC[N@@H+](Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248738 436310648 /nfs/dbraw/zinc/31/06/48/436310648.db2.gz JAQNGUQJQOLRAR-UHFFFAOYSA-N 2 1 316.470 3.042 20 0 DGADMP CCOc1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249060 436311909 /nfs/dbraw/zinc/31/19/09/436311909.db2.gz IAPNYHQYCNJIQX-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256241 436312883 /nfs/dbraw/zinc/31/28/83/436312883.db2.gz JPNRTUTZUGQCLK-LPHOPBHVSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000662257983 436314322 /nfs/dbraw/zinc/31/43/22/436314322.db2.gz UDJZTWXDHIGYCG-KKSFZXQISA-N 2 1 322.452 3.294 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000662257983 436314325 /nfs/dbraw/zinc/31/43/25/436314325.db2.gz UDJZTWXDHIGYCG-KKSFZXQISA-N 2 1 322.452 3.294 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1c1ccccc1 ZINC000662257306 436314615 /nfs/dbraw/zinc/31/46/15/436314615.db2.gz CLSILYOILQYALV-NZSAHSFTSA-N 2 1 314.473 3.023 20 0 DGADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252568 436315192 /nfs/dbraw/zinc/31/51/92/436315192.db2.gz ASCUMJAJWPZCCU-YLJYHZDGSA-N 2 1 322.452 3.498 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC ZINC000666969724 436317650 /nfs/dbraw/zinc/31/76/50/436317650.db2.gz NXEAVWRVWCCIGZ-PBHICJAKSA-N 2 1 320.477 3.480 20 0 DGADMP CC(C)[N@@H+](CCc1nccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662278881 436320621 /nfs/dbraw/zinc/32/06/21/436320621.db2.gz NHXOZJGSYNYMFJ-UHFFFAOYSA-N 2 1 315.486 3.242 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000666984009 436321048 /nfs/dbraw/zinc/32/10/48/436321048.db2.gz JBPWELJBIPRDMW-SJKOYZFVSA-N 2 1 303.837 3.305 20 0 DGADMP c1ccc2c(CC[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)nsc2c1 ZINC000662276474 436321334 /nfs/dbraw/zinc/32/13/34/436321334.db2.gz NHRRHQDZDPGTII-WMLDXEAASA-N 2 1 315.486 3.303 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998389 436321675 /nfs/dbraw/zinc/32/16/75/436321675.db2.gz QNKCNHPSCCIUCD-JTQLQIEISA-N 2 1 315.280 3.275 20 0 DGADMP C[C@@H]1COc2ccccc2C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279453 436321893 /nfs/dbraw/zinc/32/18/93/436321893.db2.gz JOCHNTCLHRVZNB-OAHLLOKOSA-N 2 1 308.425 3.115 20 0 DGADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662293788 436326048 /nfs/dbraw/zinc/32/60/48/436326048.db2.gz TTYKFANLVYOWTD-ZFWWWQNUSA-N 2 1 323.506 3.062 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662310058 436327182 /nfs/dbraw/zinc/32/71/82/436327182.db2.gz GRJRROFRLMSGPJ-YJBOKZPZSA-N 2 1 320.452 3.367 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657858534 436328418 /nfs/dbraw/zinc/32/84/18/436328418.db2.gz HRJVNVYDYVNASE-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662314143 436329542 /nfs/dbraw/zinc/32/95/42/436329542.db2.gz AIVYREREJLVGHI-RKVPGOIHSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662314143 436329544 /nfs/dbraw/zinc/32/95/44/436329544.db2.gz AIVYREREJLVGHI-RKVPGOIHSA-N 2 1 322.880 3.492 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCc2ccccc2)CCO1 ZINC000662323581 436330457 /nfs/dbraw/zinc/33/04/57/436330457.db2.gz OAMVRPZODXIAFH-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325812 436330696 /nfs/dbraw/zinc/33/06/96/436330696.db2.gz QCKZWHMHWDCXQV-PKOBYXMFSA-N 2 1 320.452 3.246 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325812 436330699 /nfs/dbraw/zinc/33/06/99/436330699.db2.gz QCKZWHMHWDCXQV-PKOBYXMFSA-N 2 1 320.452 3.246 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000657868524 436330704 /nfs/dbraw/zinc/33/07/04/436330704.db2.gz VCDXVDASPCQECK-IEBWSBKVSA-N 2 1 316.489 3.098 20 0 DGADMP CCCc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662322911 436330946 /nfs/dbraw/zinc/33/09/46/436330946.db2.gz NNWBEMUKWAYZBK-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662322911 436330949 /nfs/dbraw/zinc/33/09/49/436330949.db2.gz NNWBEMUKWAYZBK-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)CCO1 ZINC000662326709 436330955 /nfs/dbraw/zinc/33/09/55/436330955.db2.gz ZJQLCKPBPJTRJN-PVABEOQZSA-N 2 1 302.462 3.133 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322690 436331759 /nfs/dbraw/zinc/33/17/59/436331759.db2.gz WUBNEFJTILUBAL-ZWKOTPCHSA-N 2 1 308.441 3.319 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322690 436331763 /nfs/dbraw/zinc/33/17/63/436331763.db2.gz WUBNEFJTILUBAL-ZWKOTPCHSA-N 2 1 308.441 3.319 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326801 436331791 /nfs/dbraw/zinc/33/17/91/436331791.db2.gz CHOIHUFSLWVQMW-CQSZACIVSA-N 2 1 304.482 3.102 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000662327380 436331833 /nfs/dbraw/zinc/33/18/33/436331833.db2.gz HPTRUMDMFHRYNY-NCYVPVAZSA-N 2 1 322.452 3.359 20 0 DGADMP Cc1cc(C)c(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)n1 ZINC000654087743 436341503 /nfs/dbraw/zinc/34/15/03/436341503.db2.gz LTNVHZDAIIAPKO-CVEARBPZSA-N 2 1 316.449 3.145 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@H+](C(C)(C)C)C3)CC2)C1 ZINC000658089935 436371090 /nfs/dbraw/zinc/37/10/90/436371090.db2.gz CEBVPECUHABRNK-NEWSRXKRSA-N 2 1 321.553 3.492 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)C1 ZINC000658138062 436384319 /nfs/dbraw/zinc/38/43/19/436384319.db2.gz MMKMHOYITNETBQ-RBUKOAKNSA-N 2 1 314.473 3.066 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]1C ZINC000658139581 436386112 /nfs/dbraw/zinc/38/61/12/436386112.db2.gz QFUOCKCFHYXNKZ-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142884 436386938 /nfs/dbraw/zinc/38/69/38/436386938.db2.gz ZNMYAIWYVFDDOD-AQNXPRMDSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)o1 ZINC000658144728 436386997 /nfs/dbraw/zinc/38/69/97/436386997.db2.gz NQGYDUUQPBZTEX-QAPCUYQASA-N 2 1 314.429 3.005 20 0 DGADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658228503 436405596 /nfs/dbraw/zinc/40/55/96/436405596.db2.gz IXJIQVSRMIVBMX-QGZVFWFLSA-N 2 1 307.526 3.246 20 0 DGADMP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658361498 436439826 /nfs/dbraw/zinc/43/98/26/436439826.db2.gz NMMVASHTKJHMKS-DYESRHJHSA-N 2 1 324.468 3.363 20 0 DGADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343877 436442456 /nfs/dbraw/zinc/44/24/56/436442456.db2.gz IKSLWTKIMSCJPI-CQSZACIVSA-N 2 1 305.491 3.232 20 0 DGADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343877 436442460 /nfs/dbraw/zinc/44/24/60/436442460.db2.gz IKSLWTKIMSCJPI-CQSZACIVSA-N 2 1 305.491 3.232 20 0 DGADMP Cc1ccc2c(C)cc(NCCC[NH+]3CCC(O)CC3)[nH+]c2c1 ZINC000663401688 436453876 /nfs/dbraw/zinc/45/38/76/436453876.db2.gz XYKGNKFECPMRMT-UHFFFAOYSA-N 2 1 313.445 3.110 20 0 DGADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466354 436463886 /nfs/dbraw/zinc/46/38/86/436463886.db2.gz RMFCDRYHMSRIDG-UZLBHIALSA-N 2 1 314.473 3.481 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467283 436465247 /nfs/dbraw/zinc/46/52/47/436465247.db2.gz ZWKUNJCDGZLLJH-SJORKVTESA-N 2 1 323.484 3.347 20 0 DGADMP c1ccc([C@H]2CC[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000658263113 436413012 /nfs/dbraw/zinc/41/30/12/436413012.db2.gz IAJMIRJRSVAZJA-VAMGGRTRSA-N 2 1 314.473 3.166 20 0 DGADMP C[NH2+]C[C@@H](C)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000663514748 436473565 /nfs/dbraw/zinc/47/35/65/436473565.db2.gz SNFHMFLLIUXYHN-CYBMUJFWSA-N 2 1 304.384 3.294 20 0 DGADMP Fc1cccc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000663721523 436496487 /nfs/dbraw/zinc/49/64/87/436496487.db2.gz AFIYPSSMJSXRSA-UHFFFAOYSA-N 2 1 310.376 3.024 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655692641 436575844 /nfs/dbraw/zinc/57/58/44/436575844.db2.gz SEQKZBJDNQBIRD-BBWFWOEESA-N 2 1 304.482 3.066 20 0 DGADMP CO[C@H](C[N@@H+](C)C1CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000660073341 436584720 /nfs/dbraw/zinc/58/47/20/436584720.db2.gz FHDKJCYCZOOJNQ-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000660073341 436584721 /nfs/dbraw/zinc/58/47/21/436584721.db2.gz FHDKJCYCZOOJNQ-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000660073341 436584725 /nfs/dbraw/zinc/58/47/25/436584725.db2.gz FHDKJCYCZOOJNQ-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCCC1(C)C ZINC000660119151 436591125 /nfs/dbraw/zinc/59/11/25/436591125.db2.gz YEBIFCFLXHSGKP-TVFCKZIOSA-N 2 1 308.510 3.386 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)co1 ZINC000660127494 436593377 /nfs/dbraw/zinc/59/33/77/436593377.db2.gz NUTHXRVTDRGOEC-INIZCTEOSA-N 2 1 310.401 3.306 20 0 DGADMP Cc1nc(CN2CCC[C@H]2Cn2c(C)nc3ccccc32)co1 ZINC000660127494 436593380 /nfs/dbraw/zinc/59/33/80/436593380.db2.gz NUTHXRVTDRGOEC-INIZCTEOSA-N 2 1 310.401 3.306 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000660200594 436604138 /nfs/dbraw/zinc/60/41/38/436604138.db2.gz SDCUQFCFVANWHL-FUHWJXTLSA-N 2 1 306.494 3.373 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)c1ccccc1 ZINC000660210997 436606965 /nfs/dbraw/zinc/60/69/65/436606965.db2.gz HHPBODDWJGGDLD-ROUUACIJSA-N 2 1 306.494 3.034 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220937 436607754 /nfs/dbraw/zinc/60/77/54/436607754.db2.gz NDBWMULAQVLGDN-APWZRJJASA-N 2 1 309.457 3.269 20 0 DGADMP C[C@H]([NH2+]CCOCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256704 436615290 /nfs/dbraw/zinc/61/52/90/436615290.db2.gz NSEUVIIKDKAVOT-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)C[N@H+](C)C(C)C ZINC000660263708 436616149 /nfs/dbraw/zinc/61/61/49/436616149.db2.gz MAFLOVXRJKDWCB-GJZGRUSLSA-N 2 1 304.434 3.093 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)CNC(C)(C)c1cccc(Cl)c1F ZINC000660303328 436621192 /nfs/dbraw/zinc/62/11/92/436621192.db2.gz RZDYWOOHTUDYBK-LBPRGKRZSA-N 2 1 316.848 3.005 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000443217115 302209178 /nfs/dbraw/zinc/20/91/78/302209178.db2.gz QUMYJPUEMDIMDG-BOSXTWCSSA-N 2 1 315.505 3.201 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000443217115 302209180 /nfs/dbraw/zinc/20/91/80/302209180.db2.gz QUMYJPUEMDIMDG-BOSXTWCSSA-N 2 1 315.505 3.201 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CC(Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414799436 303392963 /nfs/dbraw/zinc/39/29/63/303392963.db2.gz DOPOOFXFWRCTKW-OAQYLSRUSA-N 2 1 308.469 3.415 20 0 DGADMP Cc1cccc(C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CC2)c1 ZINC000168347066 312695990 /nfs/dbraw/zinc/69/59/90/312695990.db2.gz YJFCAUWDNVXCHJ-LJQANCHMSA-N 2 1 316.489 3.017 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377297272 313037209 /nfs/dbraw/zinc/03/72/09/313037209.db2.gz JHAPTNGNMCFBDD-KRWDZBQOSA-N 2 1 304.503 3.384 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](CCn3ccnc3C)CC2(C)C)c1 ZINC000528627483 313046136 /nfs/dbraw/zinc/04/61/36/313046136.db2.gz VDCUEBKRILLBMU-SFHVURJKSA-N 2 1 313.445 3.326 20 0 DGADMP COc1cccc([C@@H]2C[N@H+](CCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627483 313046138 /nfs/dbraw/zinc/04/61/38/313046138.db2.gz VDCUEBKRILLBMU-SFHVURJKSA-N 2 1 313.445 3.326 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627483 313046141 /nfs/dbraw/zinc/04/61/41/313046141.db2.gz VDCUEBKRILLBMU-SFHVURJKSA-N 2 1 313.445 3.326 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)cn1 ZINC000528852267 313098939 /nfs/dbraw/zinc/09/89/39/313098939.db2.gz ZROVZXREURSBMX-WMZOPIPTSA-N 2 1 303.450 3.005 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C2CC2)cn1 ZINC000528852267 313098942 /nfs/dbraw/zinc/09/89/42/313098942.db2.gz ZROVZXREURSBMX-WMZOPIPTSA-N 2 1 303.450 3.005 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000529545393 313224179 /nfs/dbraw/zinc/22/41/79/313224179.db2.gz RBJALLWMBFUUHE-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP Cn1cc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2n1 ZINC000530219463 313342231 /nfs/dbraw/zinc/34/22/31/313342231.db2.gz PQSCMWSDMVUOBF-OALUTQOASA-N 2 1 320.440 3.156 20 0 DGADMP Cn1cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2n1 ZINC000530219466 313342378 /nfs/dbraw/zinc/34/23/78/313342378.db2.gz PQSCMWSDMVUOBF-RTBURBONSA-N 2 1 320.440 3.156 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cccnc1C(F)(F)F)CC[NH2+]CC2 ZINC000530225554 313343249 /nfs/dbraw/zinc/34/32/49/313343249.db2.gz OKULTUKLAQJXCU-LBPRGKRZSA-N 2 1 313.367 3.064 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530231722 313343772 /nfs/dbraw/zinc/34/37/72/313343772.db2.gz SZHZSUBRDPXRFN-QAPCUYQASA-N 2 1 302.462 3.120 20 0 DGADMP FC(F)(F)c1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000530232794 313343876 /nfs/dbraw/zinc/34/38/76/313343876.db2.gz BCQHERBBUDTHGI-CYBMUJFWSA-N 2 1 312.379 3.453 20 0 DGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530460282 313372524 /nfs/dbraw/zinc/37/25/24/313372524.db2.gz GZQYGWWMMFHTSY-QGZVFWFLSA-N 2 1 303.475 3.369 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000530545649 313382706 /nfs/dbraw/zinc/38/27/06/313382706.db2.gz DSSZZRGFNOCALF-KDOFPFPSSA-N 2 1 302.462 3.349 20 0 DGADMP CCCC[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932324 313502330 /nfs/dbraw/zinc/50/23/30/313502330.db2.gz KBWJBQZRQXNTGO-CVEARBPZSA-N 2 1 309.523 3.205 20 0 DGADMP CCOC1CC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000541216005 314000476 /nfs/dbraw/zinc/00/04/76/314000476.db2.gz OIJCETCYSFJQGV-OVZGMEQFSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000542485103 314079341 /nfs/dbraw/zinc/07/93/41/314079341.db2.gz IYQMBKFLWORUDF-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629310 314146919 /nfs/dbraw/zinc/14/69/19/314146919.db2.gz MUYALKHXMPIZGV-FDFOOHLBSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629310 314146922 /nfs/dbraw/zinc/14/69/22/314146922.db2.gz MUYALKHXMPIZGV-FDFOOHLBSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629310 314146924 /nfs/dbraw/zinc/14/69/24/314146924.db2.gz MUYALKHXMPIZGV-FDFOOHLBSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629310 314146926 /nfs/dbraw/zinc/14/69/26/314146926.db2.gz MUYALKHXMPIZGV-FDFOOHLBSA-N 2 1 306.400 3.394 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057522 314170789 /nfs/dbraw/zinc/17/07/89/314170789.db2.gz NCIJMLMCGUBWDN-LSDHHAIUSA-N 2 1 310.457 3.333 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057522 314170791 /nfs/dbraw/zinc/17/07/91/314170791.db2.gz NCIJMLMCGUBWDN-LSDHHAIUSA-N 2 1 310.457 3.333 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000544580543 314201303 /nfs/dbraw/zinc/20/13/03/314201303.db2.gz YKPVOOLLUBITIX-SJJHQCBESA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000544580543 314201305 /nfs/dbraw/zinc/20/13/05/314201305.db2.gz YKPVOOLLUBITIX-SJJHQCBESA-N 2 1 322.493 3.103 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867192 314271250 /nfs/dbraw/zinc/27/12/50/314271250.db2.gz NRSXLAURXNIYGJ-OXJNMPFZSA-N 2 1 316.489 3.452 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867192 314271252 /nfs/dbraw/zinc/27/12/52/314271252.db2.gz NRSXLAURXNIYGJ-OXJNMPFZSA-N 2 1 316.489 3.452 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000546016229 314284888 /nfs/dbraw/zinc/28/48/88/314284888.db2.gz YSGFJQVXOYRRNY-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546016229 314284891 /nfs/dbraw/zinc/28/48/91/314284891.db2.gz YSGFJQVXOYRRNY-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546016229 314284894 /nfs/dbraw/zinc/28/48/94/314284894.db2.gz YSGFJQVXOYRRNY-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000562988173 315068023 /nfs/dbraw/zinc/06/80/23/315068023.db2.gz MLMLHIGWCUMEHI-QWFCFKBJSA-N 2 1 318.505 3.253 20 0 DGADMP CN(CCC[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000563061630 315075528 /nfs/dbraw/zinc/07/55/28/315075528.db2.gz OTMKFMWVNBSSIU-UHFFFAOYSA-N 2 1 301.478 3.073 20 0 DGADMP c1cc(C[NH2+]Cc2cnccn2)cc(C[NH+]2CCCCCC2)c1 ZINC000563095620 315079045 /nfs/dbraw/zinc/07/90/45/315079045.db2.gz KAODEUCNLMOGRE-UHFFFAOYSA-N 2 1 310.445 3.142 20 0 DGADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCc1cccs1 ZINC000563130410 315082090 /nfs/dbraw/zinc/08/20/90/315082090.db2.gz XVHCMRMSZRZSAF-UHFFFAOYSA-N 2 1 320.458 3.116 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000563350405 315104790 /nfs/dbraw/zinc/10/47/90/315104790.db2.gz OIASRZXMHCZRDK-HOCLYGCPSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000563350405 315104792 /nfs/dbraw/zinc/10/47/92/315104792.db2.gz OIASRZXMHCZRDK-HOCLYGCPSA-N 2 1 306.450 3.186 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000564211061 315162430 /nfs/dbraw/zinc/16/24/30/315162430.db2.gz OKHGBSIULSEUAJ-HUUCEWRRSA-N 2 1 315.486 3.475 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000564822679 315202989 /nfs/dbraw/zinc/20/29/89/315202989.db2.gz KZBPLYINHACPRV-JTQLQIEISA-N 2 1 303.219 3.238 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[C@@H]([NH+]3CCCC3)C2)c2ccccn21 ZINC000565080801 315227661 /nfs/dbraw/zinc/22/76/61/315227661.db2.gz FEUCHJBKYNQKDH-MRXNPFEDSA-N 2 1 312.461 3.128 20 0 DGADMP Cn1c[nH+]cc1CCCSCC[N@H+](C)Cc1ccccc1 ZINC000565241147 315246430 /nfs/dbraw/zinc/24/64/30/315246430.db2.gz RJMSOHDWXQBXGW-UHFFFAOYSA-N 2 1 303.475 3.218 20 0 DGADMP Cn1c[nH+]cc1CCCSCC[N@@H+](C)Cc1ccccc1 ZINC000565241147 315246434 /nfs/dbraw/zinc/24/64/34/315246434.db2.gz RJMSOHDWXQBXGW-UHFFFAOYSA-N 2 1 303.475 3.218 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566089668 315311214 /nfs/dbraw/zinc/31/12/14/315311214.db2.gz GGMIYTXONVOSIG-OLMNPRSZSA-N 2 1 321.896 3.065 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000566414293 315342909 /nfs/dbraw/zinc/34/29/09/315342909.db2.gz NJXQLEOFSRSJCU-INIZCTEOSA-N 2 1 315.486 3.467 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000566414293 315342910 /nfs/dbraw/zinc/34/29/10/315342910.db2.gz NJXQLEOFSRSJCU-INIZCTEOSA-N 2 1 315.486 3.467 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000567147697 315399895 /nfs/dbraw/zinc/39/98/95/315399895.db2.gz XCKOKCMCDLGJCS-LBPRGKRZSA-N 2 1 307.800 3.245 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000567889971 315458270 /nfs/dbraw/zinc/45/82/70/315458270.db2.gz QHZBUXFXRIHXLT-AWEZNQCLSA-N 2 1 315.230 3.165 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccncc2)cs1 ZINC000568294847 315501222 /nfs/dbraw/zinc/50/12/22/315501222.db2.gz FVZOPKGVSRVDKI-IACUBPJLSA-N 2 1 302.447 3.126 20 0 DGADMP Cc1[nH+]cn(-c2ccc(NC(=O)CCCC[NH+](C)C)cc2)c1C ZINC000569638580 315593562 /nfs/dbraw/zinc/59/35/62/315593562.db2.gz DDUWKFTURROGIE-UHFFFAOYSA-N 2 1 314.433 3.160 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)c2ccccc21 ZINC000571789045 315745204 /nfs/dbraw/zinc/74/52/04/315745204.db2.gz GKGNONWSYYFCHD-PMACEKPBSA-N 2 1 318.424 3.166 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000572026561 315762161 /nfs/dbraw/zinc/76/21/61/315762161.db2.gz YSZCBHBXEVEGNH-JTQLQIEISA-N 2 1 303.269 3.087 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(Br)c1 ZINC000575816231 316065489 /nfs/dbraw/zinc/06/54/89/316065489.db2.gz LZBHYBRSWQMTGE-KQMXJJGSSA-N 2 1 324.266 3.120 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(Br)c1 ZINC000575816231 316065494 /nfs/dbraw/zinc/06/54/94/316065494.db2.gz LZBHYBRSWQMTGE-KQMXJJGSSA-N 2 1 324.266 3.120 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@H+](C(C)C)C[C@H]2C)c2ccccn21 ZINC000576046030 316088630 /nfs/dbraw/zinc/08/86/30/316088630.db2.gz ZYSNXGVYVMQPCL-WBVHZDCISA-N 2 1 314.477 3.276 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c2ccccn21 ZINC000576046030 316088632 /nfs/dbraw/zinc/08/86/32/316088632.db2.gz ZYSNXGVYVMQPCL-WBVHZDCISA-N 2 1 314.477 3.276 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC[NH2+]C3CC3)c2C1 ZINC000576479052 316135076 /nfs/dbraw/zinc/13/50/76/316135076.db2.gz KVBFKNHUEMGOJC-UHFFFAOYSA-N 2 1 315.461 3.129 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCC2)C[C@H]1c1ccccc1 ZINC000576534639 316140926 /nfs/dbraw/zinc/14/09/26/316140926.db2.gz GAMDNRUYMZXFOC-UFYCRDLUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCC2)C[C@H]1c1ccccc1 ZINC000576534639 316140930 /nfs/dbraw/zinc/14/09/30/316140930.db2.gz GAMDNRUYMZXFOC-UFYCRDLUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C[C@H]1c1ccccc1 ZINC000576534641 316141289 /nfs/dbraw/zinc/14/12/89/316141289.db2.gz GAMDNRUYMZXFOC-ZCNNSNEGSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C[C@H]1c1ccccc1 ZINC000576534641 316141292 /nfs/dbraw/zinc/14/12/92/316141292.db2.gz GAMDNRUYMZXFOC-ZCNNSNEGSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000576696733 316158337 /nfs/dbraw/zinc/15/83/37/316158337.db2.gz PAPUBGTWEVILBO-JKSUJKDBSA-N 2 1 304.478 3.310 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000576895585 316179982 /nfs/dbraw/zinc/17/99/82/316179982.db2.gz CECGPTKGDBADMJ-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000576895585 316179986 /nfs/dbraw/zinc/17/99/86/316179986.db2.gz CECGPTKGDBADMJ-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000576895585 316179988 /nfs/dbraw/zinc/17/99/88/316179988.db2.gz CECGPTKGDBADMJ-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000576895585 316179992 /nfs/dbraw/zinc/17/99/92/316179992.db2.gz CECGPTKGDBADMJ-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000577363341 316228464 /nfs/dbraw/zinc/22/84/64/316228464.db2.gz NGSMOJKUTAPVEM-RDJZCZTQSA-N 2 1 317.477 3.080 20 0 DGADMP c1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000577882407 316281708 /nfs/dbraw/zinc/28/17/08/316281708.db2.gz XFIHPBCCTOCIEE-IAGOWNOFSA-N 2 1 302.418 3.027 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3(O)CCCC3)C2)s1 ZINC000578016974 316294925 /nfs/dbraw/zinc/29/49/25/316294925.db2.gz QUZZVYXZXJIWEQ-INIZCTEOSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3(O)CCCC3)C2)s1 ZINC000578016974 316294927 /nfs/dbraw/zinc/29/49/27/316294927.db2.gz QUZZVYXZXJIWEQ-INIZCTEOSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3(O)CCCC3)C2)s1 ZINC000578016974 316294931 /nfs/dbraw/zinc/29/49/31/316294931.db2.gz QUZZVYXZXJIWEQ-INIZCTEOSA-N 2 1 322.518 3.115 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@@H+]1C ZINC000180892593 323240912 /nfs/dbraw/zinc/24/09/12/323240912.db2.gz QGXSRUHYMUQITL-DOTOQJQBSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@H+]1C ZINC000180892593 323240913 /nfs/dbraw/zinc/24/09/13/323240913.db2.gz QGXSRUHYMUQITL-DOTOQJQBSA-N 2 1 304.478 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181808897 323270469 /nfs/dbraw/zinc/27/04/69/323270469.db2.gz HMSFKQZLLXGAQX-IRXDYDNUSA-N 2 1 307.482 3.401 20 0 DGADMP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000388358284 323652405 /nfs/dbraw/zinc/65/24/05/323652405.db2.gz RQABUFDPHXZRRV-BEFAXECRSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)Oc1ccccc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000579138189 323829020 /nfs/dbraw/zinc/82/90/20/323829020.db2.gz NTSUAAMBENFDJH-HNNXBMFYSA-N 2 1 301.434 3.491 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000580342091 323986664 /nfs/dbraw/zinc/98/66/64/323986664.db2.gz RHMVQJRGOWSNIF-LJQANCHMSA-N 2 1 306.413 3.127 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000580875336 324048520 /nfs/dbraw/zinc/04/85/20/324048520.db2.gz LEAAHRBHVBQAKG-INIZCTEOSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@H](c2nccn2C)C1)OCc1ccccc1 ZINC000581496494 324123760 /nfs/dbraw/zinc/12/37/60/324123760.db2.gz KCJFCJFRQWPTQW-SJLPKXTDSA-N 2 1 313.445 3.205 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000582128756 324193389 /nfs/dbraw/zinc/19/33/89/324193389.db2.gz HGLYFUXSAFLTQU-GYFISPQKSA-N 2 1 316.489 3.471 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000582128756 324193394 /nfs/dbraw/zinc/19/33/94/324193394.db2.gz HGLYFUXSAFLTQU-GYFISPQKSA-N 2 1 316.489 3.471 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000582783263 324274162 /nfs/dbraw/zinc/27/41/62/324274162.db2.gz VRJZIWSPZZANAZ-GOSISDBHSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000582783263 324274166 /nfs/dbraw/zinc/27/41/66/324274166.db2.gz VRJZIWSPZZANAZ-GOSISDBHSA-N 2 1 301.409 3.428 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1OC(F)F ZINC000583539802 324366496 /nfs/dbraw/zinc/36/64/96/324366496.db2.gz PIYCUMVVZHUHMZ-JTQLQIEISA-N 2 1 313.323 3.054 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1)CC1CC1 ZINC000583634374 324378885 /nfs/dbraw/zinc/37/88/85/324378885.db2.gz SHUZCCNQZFAHPH-VQTJNVASSA-N 2 1 322.537 3.372 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1)CC1CC1 ZINC000583634375 324379199 /nfs/dbraw/zinc/37/91/99/324379199.db2.gz SHUZCCNQZFAHPH-WOJBJXKFSA-N 2 1 322.537 3.372 20 0 DGADMP COc1cccc2c(NC[C@H]3CC[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000584326347 333033419 /nfs/dbraw/zinc/03/34/19/333033419.db2.gz GMRZXAGBXNVFDZ-CQSZACIVSA-N 2 1 311.429 3.448 20 0 DGADMP COc1cccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000584326347 333033420 /nfs/dbraw/zinc/03/34/20/333033420.db2.gz GMRZXAGBXNVFDZ-CQSZACIVSA-N 2 1 311.429 3.448 20 0 DGADMP C[C@H]([N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000584584022 337368746 /nfs/dbraw/zinc/36/87/46/337368746.db2.gz PHTSUXAOCMCSRP-INIZCTEOSA-N 2 1 304.478 3.385 20 0 DGADMP C[C@H]([N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000584584022 337368747 /nfs/dbraw/zinc/36/87/47/337368747.db2.gz PHTSUXAOCMCSRP-INIZCTEOSA-N 2 1 304.478 3.385 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788633 533829783 /nfs/dbraw/zinc/82/97/83/533829783.db2.gz YCZQFGYJVNBPBM-PMPSAXMXSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788633 533829787 /nfs/dbraw/zinc/82/97/87/533829787.db2.gz YCZQFGYJVNBPBM-PMPSAXMXSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Br)c1 ZINC000415139808 534079798 /nfs/dbraw/zinc/07/97/98/534079798.db2.gz RXLYCAVDQMPMRM-YWPYICTPSA-N 2 1 311.267 3.283 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2)n1 ZINC000430556143 534096171 /nfs/dbraw/zinc/09/61/71/534096171.db2.gz UDNDQWMCTQLITD-LIRRHRJNSA-N 2 1 312.461 3.048 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2)n1 ZINC000430556143 534096180 /nfs/dbraw/zinc/09/61/80/534096180.db2.gz UDNDQWMCTQLITD-LIRRHRJNSA-N 2 1 312.461 3.048 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444601762 534115753 /nfs/dbraw/zinc/11/57/53/534115753.db2.gz XCPNHJXFBQLFQW-KRWDZBQOSA-N 2 1 304.478 3.434 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)s2)o1 ZINC000415124983 534216685 /nfs/dbraw/zinc/21/66/85/534216685.db2.gz KTRVFZIUJSXDHR-WCQYABFASA-N 2 1 305.447 3.128 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)s2)o1 ZINC000415124983 534216687 /nfs/dbraw/zinc/21/66/87/534216687.db2.gz KTRVFZIUJSXDHR-WCQYABFASA-N 2 1 305.447 3.128 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)CCn1cccn1 ZINC000157582412 519630543 /nfs/dbraw/zinc/63/05/43/519630543.db2.gz GLEMZXIFHSVPDR-QGZVFWFLSA-N 2 1 314.477 3.292 20 0 DGADMP c1ccc(COCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415090847 534489265 /nfs/dbraw/zinc/48/92/65/534489265.db2.gz PIPDWUDPRFRBCJ-UXHICEINSA-N 2 1 310.441 3.286 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000442926653 534653253 /nfs/dbraw/zinc/65/32/53/534653253.db2.gz ZJHMSRAFLLHLFG-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420372117 534653944 /nfs/dbraw/zinc/65/39/44/534653944.db2.gz LBKDWTYQYRAODK-HOTGVXAUSA-N 2 1 322.880 3.430 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000442926333 534654927 /nfs/dbraw/zinc/65/49/27/534654927.db2.gz YKECDHAGIIIGAR-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430930749 534691564 /nfs/dbraw/zinc/69/15/64/534691564.db2.gz YKJXXIGQMNBVOM-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000157597366 524548174 /nfs/dbraw/zinc/54/81/74/524548174.db2.gz FAROYQOWFGXCTA-KSZLIROESA-N 2 1 306.498 3.009 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000415045890 526621174 /nfs/dbraw/zinc/62/11/74/526621174.db2.gz BYLVJADKAHMRNR-GFCCVEGCSA-N 2 1 303.219 3.051 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000430601451 527169802 /nfs/dbraw/zinc/16/98/02/527169802.db2.gz UIMHPALHLQWKCO-NVXWUHKLSA-N 2 1 302.462 3.374 20 0 DGADMP CC(C)(O)C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000444617112 527339816 /nfs/dbraw/zinc/33/98/16/527339816.db2.gz FWSYQKLFIFBKSO-UHFFFAOYSA-N 2 1 304.478 3.136 20 0 DGADMP CC(C)=CCC[C@H](C)CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443070236 527420591 /nfs/dbraw/zinc/42/05/91/527420591.db2.gz OOPLRELDVXSJRZ-SFHVURJKSA-N 2 1 309.542 3.375 20 0 DGADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415062452 527470641 /nfs/dbraw/zinc/47/06/41/527470641.db2.gz MQAGLMFNPGLBJJ-PLBNDVGASA-N 2 1 320.436 3.086 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110269 527804015 /nfs/dbraw/zinc/80/40/15/527804015.db2.gz SIAQGHRCNBJCJF-NJAFHUGGSA-N 2 1 318.461 3.190 20 0 DGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000444594989 528071769 /nfs/dbraw/zinc/07/17/69/528071769.db2.gz NBVNNCHYHCXKEN-KSZLIROESA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428992071 528180169 /nfs/dbraw/zinc/18/01/69/528180169.db2.gz LLJZEDATOPQTEF-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428992071 528180177 /nfs/dbraw/zinc/18/01/77/528180177.db2.gz LLJZEDATOPQTEF-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428992071 528180182 /nfs/dbraw/zinc/18/01/82/528180182.db2.gz LLJZEDATOPQTEF-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428992071 528180186 /nfs/dbraw/zinc/18/01/86/528180186.db2.gz LLJZEDATOPQTEF-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000321576986 528204656 /nfs/dbraw/zinc/20/46/56/528204656.db2.gz IZDIEJGDKORYBN-UHFFFAOYSA-N 2 1 312.461 3.145 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1O ZINC000314010636 528275000 /nfs/dbraw/zinc/27/50/00/528275000.db2.gz GHBGBFKOIKVQGU-OAHLLOKOSA-N 2 1 306.450 3.145 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1O ZINC000314010636 528275007 /nfs/dbraw/zinc/27/50/07/528275007.db2.gz GHBGBFKOIKVQGU-OAHLLOKOSA-N 2 1 306.450 3.145 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000430563833 528290961 /nfs/dbraw/zinc/29/09/61/528290961.db2.gz XEWBHZCLJRLNDM-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2C1 ZINC000295597204 528328080 /nfs/dbraw/zinc/32/80/80/528328080.db2.gz COXVEKBSAXAPER-WMLDXEAASA-N 2 1 315.461 3.258 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2C1 ZINC000295597204 528328084 /nfs/dbraw/zinc/32/80/84/528328084.db2.gz COXVEKBSAXAPER-WMLDXEAASA-N 2 1 315.461 3.258 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415927579 528353168 /nfs/dbraw/zinc/35/31/68/528353168.db2.gz DBFDFRLPRKQYHU-OAHLLOKOSA-N 2 1 320.481 3.038 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccs1 ZINC000442877152 528360022 /nfs/dbraw/zinc/36/00/22/528360022.db2.gz ZADIETOPLONXKR-MRXNPFEDSA-N 2 1 323.550 3.451 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OCC ZINC000435381833 528431738 /nfs/dbraw/zinc/43/17/38/528431738.db2.gz WACSQLOIHQKWEC-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OCC ZINC000442924296 528663684 /nfs/dbraw/zinc/66/36/84/528663684.db2.gz SEHQIURCQPKJMA-MRXNPFEDSA-N 2 1 320.477 3.435 20 0 DGADMP CCC(CC)C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435427183 528752146 /nfs/dbraw/zinc/75/21/46/528752146.db2.gz LWTCVLBQLONBDP-KRWDZBQOSA-N 2 1 318.509 3.283 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309651704 528766806 /nfs/dbraw/zinc/76/68/06/528766806.db2.gz GVSICSULSQOZCE-UFYCRDLUSA-N 2 1 316.489 3.302 20 0 DGADMP CC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435391063 528869684 /nfs/dbraw/zinc/86/96/84/528869684.db2.gz RJJGUOUJGBODJZ-AWEZNQCLSA-N 2 1 316.474 3.169 20 0 DGADMP CC[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435391063 528869693 /nfs/dbraw/zinc/86/96/93/528869693.db2.gz RJJGUOUJGBODJZ-AWEZNQCLSA-N 2 1 316.474 3.169 20 0 DGADMP CC[N@H+](Cc1csc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435386310 528880846 /nfs/dbraw/zinc/88/08/46/528880846.db2.gz UGKAZKCNGUUUKP-GFCCVEGCSA-N 2 1 317.296 3.475 20 0 DGADMP CC[N@@H+](Cc1csc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435386310 528880851 /nfs/dbraw/zinc/88/08/51/528880851.db2.gz UGKAZKCNGUUUKP-GFCCVEGCSA-N 2 1 317.296 3.475 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162300 528976717 /nfs/dbraw/zinc/97/67/17/528976717.db2.gz HLMCPPYGOPIORG-GBESFXJTSA-N 2 1 316.489 3.038 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccsc1 ZINC000443097479 529009764 /nfs/dbraw/zinc/00/97/64/529009764.db2.gz VFEFUVXIIQUNEZ-IAGOWNOFSA-N 2 1 310.507 3.272 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC ZINC000432420498 529161402 /nfs/dbraw/zinc/16/14/02/529161402.db2.gz BURKGJDJWITKKB-FUHWJXTLSA-N 2 1 320.477 3.237 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC ZINC000432420498 529161404 /nfs/dbraw/zinc/16/14/04/529161404.db2.gz BURKGJDJWITKKB-FUHWJXTLSA-N 2 1 320.477 3.237 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449089637 534957681 /nfs/dbraw/zinc/95/76/81/534957681.db2.gz DMHGVKVYJCMOCF-QGZVFWFLSA-N 2 1 318.461 3.060 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c2C1 ZINC000449341076 535002144 /nfs/dbraw/zinc/00/21/44/535002144.db2.gz ROPPXFWBYBINMF-QGZVFWFLSA-N 2 1 317.477 3.375 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c2C1 ZINC000449341076 535002149 /nfs/dbraw/zinc/00/21/49/535002149.db2.gz ROPPXFWBYBINMF-QGZVFWFLSA-N 2 1 317.477 3.375 20 0 DGADMP CCOCCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471862269 535516166 /nfs/dbraw/zinc/51/61/66/535516166.db2.gz QVMBSXXVLJIVBF-MOPGFXCFSA-N 2 1 304.478 3.085 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459381839 535693994 /nfs/dbraw/zinc/69/39/94/535693994.db2.gz VOCRRMRUCTVYRW-UHFFFAOYSA-N 2 1 315.505 3.071 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488105758 535819930 /nfs/dbraw/zinc/81/99/30/535819930.db2.gz CYKIXAZHRVXQTJ-XDNAFOTISA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488105758 535819931 /nfs/dbraw/zinc/81/99/31/535819931.db2.gz CYKIXAZHRVXQTJ-XDNAFOTISA-N 2 1 320.521 3.434 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472453752 535906555 /nfs/dbraw/zinc/90/65/55/535906555.db2.gz GFTYIQYNCABYOL-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472453752 535906558 /nfs/dbraw/zinc/90/65/58/535906558.db2.gz GFTYIQYNCABYOL-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472453752 535906563 /nfs/dbraw/zinc/90/65/63/535906563.db2.gz GFTYIQYNCABYOL-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472453752 535906566 /nfs/dbraw/zinc/90/65/66/535906566.db2.gz GFTYIQYNCABYOL-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000449232701 535920623 /nfs/dbraw/zinc/92/06/23/535920623.db2.gz IWZUPXZRSBHSER-UXHICEINSA-N 2 1 316.489 3.312 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493976423 536131368 /nfs/dbraw/zinc/13/13/68/536131368.db2.gz JCESBOGKTQSETD-YDZRNGNQSA-N 2 1 320.521 3.434 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccnn3C3CCCC3)C2)CC1 ZINC000449323885 536346166 /nfs/dbraw/zinc/34/61/66/536346166.db2.gz BJTZYPBWAZCHEC-KRWDZBQOSA-N 2 1 316.493 3.162 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)[C@@H]1c1cccs1 ZINC000494606460 536364776 /nfs/dbraw/zinc/36/47/76/536364776.db2.gz BNWUUAPTVRUYTN-WMLDXEAASA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)[C@@H]1c1cccs1 ZINC000494606460 536364778 /nfs/dbraw/zinc/36/47/78/536364778.db2.gz BNWUUAPTVRUYTN-WMLDXEAASA-N 2 1 319.449 3.455 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119657217 545882095 /nfs/dbraw/zinc/88/20/95/545882095.db2.gz FXQNXIBMJCFWSF-AQNXPRMDSA-N 2 1 323.569 3.455 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000164564463 546088947 /nfs/dbraw/zinc/08/89/47/546088947.db2.gz MRAVSCHFGKNLEA-OLMNPRSZSA-N 2 1 315.461 3.127 20 0 DGADMP CN(C)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000166747545 546096957 /nfs/dbraw/zinc/09/69/57/546096957.db2.gz KQZINSNIPYBMQU-IAGOWNOFSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000180235741 546143147 /nfs/dbraw/zinc/14/31/47/546143147.db2.gz XFNNQCXEKWBYHU-HNNXBMFYSA-N 2 1 312.461 3.281 20 0 DGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000180335651 546144881 /nfs/dbraw/zinc/14/48/81/546144881.db2.gz MMDKQWRVTBGADC-ZDUSSCGKSA-N 2 1 318.490 3.342 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000190955574 546220988 /nfs/dbraw/zinc/22/09/88/546220988.db2.gz DFMPZDRTIPAJRX-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000280095470 546379448 /nfs/dbraw/zinc/37/94/48/546379448.db2.gz MSJOYYCMIZERLJ-MRXNPFEDSA-N 2 1 306.450 3.013 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnn1-c1ccccc1 ZINC000281782846 546390415 /nfs/dbraw/zinc/39/04/15/546390415.db2.gz XIFLRIXCPSQRRS-LZLYRXPVSA-N 2 1 312.461 3.396 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292893106 546419152 /nfs/dbraw/zinc/41/91/52/546419152.db2.gz GABZCIXXCONOCO-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292893106 546419154 /nfs/dbraw/zinc/41/91/54/546419154.db2.gz GABZCIXXCONOCO-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292893106 546419156 /nfs/dbraw/zinc/41/91/56/546419156.db2.gz GABZCIXXCONOCO-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292893106 546419157 /nfs/dbraw/zinc/41/91/57/546419157.db2.gz GABZCIXXCONOCO-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CC[NH+]1CCC([NH2+]C2(CCOCc3ccccc3)CC2)CC1 ZINC000347254909 546584072 /nfs/dbraw/zinc/58/40/72/546584072.db2.gz SUYCMFADZDXZQE-UHFFFAOYSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)c2)CCO1 ZINC000348112224 546586665 /nfs/dbraw/zinc/58/66/65/546586665.db2.gz WKHDPIBNOCFFCV-UIAACRFSSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)c2)CCO1 ZINC000348112224 546586672 /nfs/dbraw/zinc/58/66/72/546586672.db2.gz WKHDPIBNOCFFCV-UIAACRFSSA-N 2 1 314.473 3.186 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358708905 546705409 /nfs/dbraw/zinc/70/54/09/546705409.db2.gz CQCBFYGMCUGFEG-NSHGMRRFSA-N 2 1 317.521 3.359 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000361463016 546719794 /nfs/dbraw/zinc/71/97/94/546719794.db2.gz KVFLIBXRKCFGCF-UHFFFAOYSA-N 2 1 324.468 3.290 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413942565 546779793 /nfs/dbraw/zinc/77/97/93/546779793.db2.gz WVICAHPQVOKKMG-AWEZNQCLSA-N 2 1 321.440 3.090 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000414931046 546790799 /nfs/dbraw/zinc/79/07/99/546790799.db2.gz UAQHUIICMXEUJD-RYUDHWBXSA-N 2 1 317.658 3.462 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414934826 546791177 /nfs/dbraw/zinc/79/11/77/546791177.db2.gz YFKIMDKICXFFJS-GHMZBOCLSA-N 2 1 303.233 3.362 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000431593597 546816168 /nfs/dbraw/zinc/81/61/68/546816168.db2.gz AJEMYTNLIPQDCP-ARFHVFGLSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+]([C@@H](C)CC[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000431593597 546816156 /nfs/dbraw/zinc/81/61/56/546816156.db2.gz AJEMYTNLIPQDCP-ARFHVFGLSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2CCS[C@H](CC)C2)CCS1 ZINC000431593597 546816162 /nfs/dbraw/zinc/81/61/62/546816162.db2.gz AJEMYTNLIPQDCP-ARFHVFGLSA-N 2 1 316.580 3.420 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)C[C@@H]1c1ccccc1 ZINC000453304072 546859096 /nfs/dbraw/zinc/85/90/96/546859096.db2.gz FQBDNGUCGOFVCV-QZTJIDSGSA-N 2 1 320.452 3.178 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)C[C@@H]1c1ccccc1 ZINC000453304072 546859098 /nfs/dbraw/zinc/85/90/98/546859098.db2.gz FQBDNGUCGOFVCV-QZTJIDSGSA-N 2 1 320.452 3.178 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453340223 546860717 /nfs/dbraw/zinc/86/07/17/546860717.db2.gz BRELCWDHRYTMPP-FZDIXFNVSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453340223 546860720 /nfs/dbraw/zinc/86/07/20/546860720.db2.gz BRELCWDHRYTMPP-FZDIXFNVSA-N 2 1 302.462 3.225 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453405496 546861500 /nfs/dbraw/zinc/86/15/00/546861500.db2.gz OUURTIWCPIZYPZ-NCXUSEDFSA-N 2 1 302.462 3.369 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453405496 546861503 /nfs/dbraw/zinc/86/15/03/546861503.db2.gz OUURTIWCPIZYPZ-NCXUSEDFSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cscc2Br)C1 ZINC000459730643 546894579 /nfs/dbraw/zinc/89/45/79/546894579.db2.gz FBRSTGDXMWKPNM-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513366177 546951617 /nfs/dbraw/zinc/95/16/17/546951617.db2.gz PBNVPHJZNDMJQS-BEFAXECRSA-N 2 1 304.478 3.336 20 0 DGADMP Cc1cccc([C@H]2CCCN2Cc2ccnn2-c2ccncc2)n1 ZINC000667643081 547254726 /nfs/dbraw/zinc/25/47/26/547254726.db2.gz TVQJGXJCSBFITR-LJQANCHMSA-N 2 1 319.412 3.308 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666621 547266227 /nfs/dbraw/zinc/26/62/27/547266227.db2.gz SLKSEJYSSFDEDW-FZMZJTMJSA-N 2 1 300.368 3.266 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666623 547266265 /nfs/dbraw/zinc/26/62/65/547266265.db2.gz SLKSEJYSSFDEDW-SMDDNHRTSA-N 2 1 300.368 3.266 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000667667148 547267676 /nfs/dbraw/zinc/26/76/76/547267676.db2.gz GJIHBGCUFLRUNP-RYRKJORJSA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000667667148 547267687 /nfs/dbraw/zinc/26/76/87/547267687.db2.gz GJIHBGCUFLRUNP-RYRKJORJSA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000667667148 547267690 /nfs/dbraw/zinc/26/76/90/547267690.db2.gz GJIHBGCUFLRUNP-RYRKJORJSA-N 2 1 320.477 3.015 20 0 DGADMP Cc1[nH+]cc(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)n1C ZINC000667670696 547269192 /nfs/dbraw/zinc/26/91/92/547269192.db2.gz XSRNXNRPAAKSOU-DNVCBOLYSA-N 2 1 313.445 3.307 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000667681875 547273456 /nfs/dbraw/zinc/27/34/56/547273456.db2.gz UJCOVDZPTZJINY-HNNXBMFYSA-N 2 1 308.491 3.058 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000667681875 547273459 /nfs/dbraw/zinc/27/34/59/547273459.db2.gz UJCOVDZPTZJINY-HNNXBMFYSA-N 2 1 308.491 3.058 20 0 DGADMP COCc1csc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000667681875 547273464 /nfs/dbraw/zinc/27/34/64/547273464.db2.gz UJCOVDZPTZJINY-HNNXBMFYSA-N 2 1 308.491 3.058 20 0 DGADMP COCc1csc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000667681875 547273469 /nfs/dbraw/zinc/27/34/69/547273469.db2.gz UJCOVDZPTZJINY-HNNXBMFYSA-N 2 1 308.491 3.058 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667792044 547303255 /nfs/dbraw/zinc/30/32/55/547303255.db2.gz VXBKJBZFZUTVSU-PMACEKPBSA-N 2 1 314.473 3.117 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)oc1C ZINC000667835959 547315767 /nfs/dbraw/zinc/31/57/67/547315767.db2.gz BIXZCZYFRQVCMU-SQNIBIBYSA-N 2 1 317.477 3.282 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667887092 547326907 /nfs/dbraw/zinc/32/69/07/547326907.db2.gz HBTCDBMDJXELJG-GEALJGNFSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667887092 547326911 /nfs/dbraw/zinc/32/69/11/547326911.db2.gz HBTCDBMDJXELJG-GEALJGNFSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667910738 547332124 /nfs/dbraw/zinc/33/21/24/547332124.db2.gz XQDGSZHJLFTRJB-SOVGHPHASA-N 2 1 311.429 3.399 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667928876 547336793 /nfs/dbraw/zinc/33/67/93/547336793.db2.gz LEECSWHLZSRIAA-OALUTQOASA-N 2 1 302.462 3.184 20 0 DGADMP C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784321 547539967 /nfs/dbraw/zinc/53/99/67/547539967.db2.gz BFNRRKMNHYWBFD-FCUDFIOSSA-N 2 1 302.462 3.133 20 0 DGADMP C/C(=C/c1ccccc1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784321 547539970 /nfs/dbraw/zinc/53/99/70/547539970.db2.gz BFNRRKMNHYWBFD-FCUDFIOSSA-N 2 1 302.462 3.133 20 0 DGADMP CCSc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668785688 547540851 /nfs/dbraw/zinc/54/08/51/547540851.db2.gz VGJYFJWZEMDSGB-KRWDZBQOSA-N 2 1 322.518 3.341 20 0 DGADMP CCSc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668785688 547540858 /nfs/dbraw/zinc/54/08/58/547540858.db2.gz VGJYFJWZEMDSGB-KRWDZBQOSA-N 2 1 322.518 3.341 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000668786187 547541470 /nfs/dbraw/zinc/54/14/70/547541470.db2.gz WTAFCTYPPNNCRL-LJQANCHMSA-N 2 1 304.478 3.154 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1O ZINC000668818787 547548865 /nfs/dbraw/zinc/54/88/65/547548865.db2.gz LJPMLQXHSYLTGK-KRWDZBQOSA-N 2 1 318.461 3.003 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000668819376 547549327 /nfs/dbraw/zinc/54/93/27/547549327.db2.gz OLKYPKXBZQZBBC-LJQANCHMSA-N 2 1 301.478 3.034 20 0 DGADMP COc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1F ZINC000669707616 547675968 /nfs/dbraw/zinc/67/59/68/547675968.db2.gz QEYGZKCGSJIUBO-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000669851622 547694682 /nfs/dbraw/zinc/69/46/82/547694682.db2.gz KPJHKDCZZHZZNN-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000669851622 547694683 /nfs/dbraw/zinc/69/46/83/547694683.db2.gz KPJHKDCZZHZZNN-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP C/C=C\C[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671120769 547771389 /nfs/dbraw/zinc/77/13/89/547771389.db2.gz LKLQQRZEPHTDIC-ZMBASDJOSA-N 2 1 316.489 3.346 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739572 547821038 /nfs/dbraw/zinc/82/10/38/547821038.db2.gz CBMXSNOIBGYMRR-KGLIPLIRSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739572 547821040 /nfs/dbraw/zinc/82/10/40/547821040.db2.gz CBMXSNOIBGYMRR-KGLIPLIRSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739643 547821353 /nfs/dbraw/zinc/82/13/53/547821353.db2.gz FFZGCYFPFIMMMN-CYBMUJFWSA-N 2 1 303.406 3.060 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000671750162 547826754 /nfs/dbraw/zinc/82/67/54/547826754.db2.gz YOZHMRCDAZJYOS-SJORKVTESA-N 2 1 302.466 3.086 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000671760252 547828122 /nfs/dbraw/zinc/82/81/22/547828122.db2.gz NGBVHOJENSJVMJ-IJXRJRJASA-N 2 1 314.473 3.015 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496481 548226518 /nfs/dbraw/zinc/22/65/18/548226518.db2.gz XZNPEIPEYIYWIX-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496481 548226520 /nfs/dbraw/zinc/22/65/20/548226520.db2.gz XZNPEIPEYIYWIX-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496481 548226525 /nfs/dbraw/zinc/22/65/25/548226525.db2.gz XZNPEIPEYIYWIX-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496481 548226527 /nfs/dbraw/zinc/22/65/27/548226527.db2.gz XZNPEIPEYIYWIX-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934078 548295137 /nfs/dbraw/zinc/29/51/37/548295137.db2.gz HOOWNPQGTCMDDM-FFGOWVMKSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934078 548295139 /nfs/dbraw/zinc/29/51/39/548295139.db2.gz HOOWNPQGTCMDDM-FFGOWVMKSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1noc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000676901801 548430507 /nfs/dbraw/zinc/43/05/07/548430507.db2.gz DZJKWZNXZVDVAP-CQSZACIVSA-N 2 1 306.454 3.027 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237459 548473306 /nfs/dbraw/zinc/47/33/06/548473306.db2.gz ISNNWAZPEDFQON-HZPDHXFCSA-N 2 1 302.462 3.189 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC000678122287 548618205 /nfs/dbraw/zinc/61/82/05/548618205.db2.gz JMWSVYXDKKEOOW-UHFFFAOYSA-N 2 1 304.459 3.321 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000678121474 548618493 /nfs/dbraw/zinc/61/84/93/548618493.db2.gz NBPUAHFMIXFZDL-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000678268884 548663670 /nfs/dbraw/zinc/66/36/70/548663670.db2.gz HMBVWNMYIDXXFB-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP CC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678337173 548680778 /nfs/dbraw/zinc/68/07/78/548680778.db2.gz CVQARPXIQLLRIL-QGZVFWFLSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000678334921 548681387 /nfs/dbraw/zinc/68/13/87/548681387.db2.gz YELZHBIYFZXOBM-IAGOWNOFSA-N 2 1 302.462 3.392 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1C ZINC000678595589 548735521 /nfs/dbraw/zinc/73/55/21/548735521.db2.gz UUGOLORNKZOPRL-OKZBNKHCSA-N 2 1 302.462 3.369 20 0 DGADMP COC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000678605857 548739729 /nfs/dbraw/zinc/73/97/29/548739729.db2.gz XNLIZGFIYYVPIT-HQRMLTQVSA-N 2 1 316.489 3.302 20 0 DGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678687437 548751472 /nfs/dbraw/zinc/75/14/72/548751472.db2.gz YRFBDGBYWHVJNK-UXHICEINSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000678728797 548754041 /nfs/dbraw/zinc/75/40/41/548754041.db2.gz MRJUHKHGOPLFRF-ZDUSSCGKSA-N 2 1 318.490 3.093 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000678728797 548754043 /nfs/dbraw/zinc/75/40/43/548754043.db2.gz MRJUHKHGOPLFRF-ZDUSSCGKSA-N 2 1 318.490 3.093 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000678771855 548760171 /nfs/dbraw/zinc/76/01/71/548760171.db2.gz QTVTVQOQJQINNR-IMFGXOCKSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000678771858 548760211 /nfs/dbraw/zinc/76/02/11/548760211.db2.gz QTVTVQOQJQINNR-YVWKXTFCSA-N 2 1 316.489 3.137 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678992445 548808071 /nfs/dbraw/zinc/80/80/71/548808071.db2.gz JPWPBLRABCLIOB-CQSZACIVSA-N 2 1 307.507 3.186 20 0 DGADMP C[N@H+](Cc1ccc(O)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000679391913 548891609 /nfs/dbraw/zinc/89/16/09/548891609.db2.gz BXLPJILBWQYTAZ-LJQANCHMSA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1ccc(O)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679391913 548891613 /nfs/dbraw/zinc/89/16/13/548891613.db2.gz BXLPJILBWQYTAZ-LJQANCHMSA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1ccc(O)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679391913 548891618 /nfs/dbraw/zinc/89/16/18/548891618.db2.gz BXLPJILBWQYTAZ-LJQANCHMSA-N 2 1 310.441 3.346 20 0 DGADMP C[N@H+](Cc1ccc(O)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000679391910 548891717 /nfs/dbraw/zinc/89/17/17/548891717.db2.gz BXLPJILBWQYTAZ-IBGZPJMESA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1ccc(O)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679391910 548891722 /nfs/dbraw/zinc/89/17/22/548891722.db2.gz BXLPJILBWQYTAZ-IBGZPJMESA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1ccc(O)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679391910 548891726 /nfs/dbraw/zinc/89/17/26/548891726.db2.gz BXLPJILBWQYTAZ-IBGZPJMESA-N 2 1 310.441 3.346 20 0 DGADMP Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000679394071 548892766 /nfs/dbraw/zinc/89/27/66/548892766.db2.gz IYDOWURNVOXMGW-IBGZPJMESA-N 2 1 310.441 3.046 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680036962 548984121 /nfs/dbraw/zinc/98/41/21/548984121.db2.gz CDWHASYWPZGKKL-FRYIKTPZSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073422 549284824 /nfs/dbraw/zinc/28/48/24/549284824.db2.gz BAVWOEHAKNLJCG-WFASDCNBSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073422 549284831 /nfs/dbraw/zinc/28/48/31/549284831.db2.gz BAVWOEHAKNLJCG-WFASDCNBSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073422 549284834 /nfs/dbraw/zinc/28/48/34/549284834.db2.gz BAVWOEHAKNLJCG-WFASDCNBSA-N 2 1 316.367 3.357 20 0 DGADMP Fc1cccc(Oc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000683700101 549521953 /nfs/dbraw/zinc/52/19/53/549521953.db2.gz JQCAPTVQHCUOLA-HOTGVXAUSA-N 2 1 312.388 3.269 20 0 DGADMP C[C@@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000683705519 549522311 /nfs/dbraw/zinc/52/23/11/549522311.db2.gz YBLCSPJATAHWGJ-PXNSSMCTSA-N 2 1 316.489 3.413 20 0 DGADMP Oc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000684026912 549568748 /nfs/dbraw/zinc/56/87/48/549568748.db2.gz ZNBQZSVFGLEPFJ-UHFFFAOYSA-N 2 1 311.429 3.305 20 0 DGADMP COc1cccc(C[N@H+](C)CCCN(C)Cc2ccco2)c1F ZINC000685447764 549761972 /nfs/dbraw/zinc/76/19/72/549761972.db2.gz ONXCPEAJXCRPTO-UHFFFAOYSA-N 2 1 320.408 3.381 20 0 DGADMP COc1cccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1F ZINC000685447764 549761973 /nfs/dbraw/zinc/76/19/73/549761973.db2.gz ONXCPEAJXCRPTO-UHFFFAOYSA-N 2 1 320.408 3.381 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677919 574556430 /nfs/dbraw/zinc/55/64/30/574556430.db2.gz BWVKFUBRGNZQOE-INIZCTEOSA-N 2 1 302.462 3.222 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000732267378 574569717 /nfs/dbraw/zinc/56/97/17/574569717.db2.gz ZUVKBRABWWXLKZ-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054607 574950513 /nfs/dbraw/zinc/95/05/13/574950513.db2.gz QSTPRPBMMJRPTD-YLJYHZDGSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054607 574950515 /nfs/dbraw/zinc/95/05/15/574950515.db2.gz QSTPRPBMMJRPTD-YLJYHZDGSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC[N@H+]1C ZINC000742375843 574994255 /nfs/dbraw/zinc/99/42/55/574994255.db2.gz WHFIOBKRFKWZPZ-YOEHRIQHSA-N 2 1 302.462 3.363 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393342 575048970 /nfs/dbraw/zinc/04/89/70/575048970.db2.gz OIARIWRXQLRMQM-QGZVFWFLSA-N 2 1 314.477 3.274 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393342 575048972 /nfs/dbraw/zinc/04/89/72/575048972.db2.gz OIARIWRXQLRMQM-QGZVFWFLSA-N 2 1 314.477 3.274 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393342 575048973 /nfs/dbraw/zinc/04/89/73/575048973.db2.gz OIARIWRXQLRMQM-QGZVFWFLSA-N 2 1 314.477 3.274 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393342 575048975 /nfs/dbraw/zinc/04/89/75/575048975.db2.gz OIARIWRXQLRMQM-QGZVFWFLSA-N 2 1 314.477 3.274 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000743851041 575065130 /nfs/dbraw/zinc/06/51/30/575065130.db2.gz IAOTYZWKWLWYLX-VQTJNVASSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000743851041 575065132 /nfs/dbraw/zinc/06/51/32/575065132.db2.gz IAOTYZWKWLWYLX-VQTJNVASSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)c1C ZINC000743862020 575066524 /nfs/dbraw/zinc/06/65/24/575066524.db2.gz BVKZFVWYMKUJOB-QUCCMNQESA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)c1C ZINC000743862020 575066526 /nfs/dbraw/zinc/06/65/26/575066526.db2.gz BVKZFVWYMKUJOB-QUCCMNQESA-N 2 1 316.489 3.287 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)oc21 ZINC000729681128 575260079 /nfs/dbraw/zinc/26/00/79/575260079.db2.gz BSJOCAKIZMNQQO-ZDUSSCGKSA-N 2 1 313.401 3.372 20 0 DGADMP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](CC)c1ccccc1 ZINC000746653239 575466348 /nfs/dbraw/zinc/46/63/48/575466348.db2.gz SBFAGTUGIAPOLN-RBUKOAKNSA-N 2 1 304.478 3.306 20 0 DGADMP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](CC)c1ccccc1 ZINC000746653239 575466350 /nfs/dbraw/zinc/46/63/50/575466350.db2.gz SBFAGTUGIAPOLN-RBUKOAKNSA-N 2 1 304.478 3.306 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000746666993 575468402 /nfs/dbraw/zinc/46/84/02/575468402.db2.gz TZYZMEABPZMAMW-LJQANCHMSA-N 2 1 322.468 3.220 20 0 DGADMP Cc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398179780 575961103 /nfs/dbraw/zinc/96/11/03/575961103.db2.gz WTZBQMFKRYNPHD-UZLBHIALSA-N 2 1 309.457 3.390 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398218177 575961680 /nfs/dbraw/zinc/96/16/80/575961680.db2.gz VKRIWAQUDOOLSW-IJXRJRJASA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398218177 575961681 /nfs/dbraw/zinc/96/16/81/575961681.db2.gz VKRIWAQUDOOLSW-IJXRJRJASA-N 2 1 316.489 3.444 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCSc1ccc(F)cc1F ZINC000852746207 620645106 /nfs/dbraw/zinc/64/51/06/620645106.db2.gz GGNTYXXMIIREMA-AGUYFDCRSA-N 2 1 312.429 3.401 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCSc1ccc(F)cc1F ZINC000852746207 620645109 /nfs/dbraw/zinc/64/51/09/620645109.db2.gz GGNTYXXMIIREMA-AGUYFDCRSA-N 2 1 312.429 3.401 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1OC(F)F)C1CCC([NH3+])CC1 ZINC000852740651 620644729 /nfs/dbraw/zinc/64/47/29/620644729.db2.gz HVQXTHVUTYTZMH-UHFFFAOYSA-N 2 1 302.340 3.129 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)[C@@H]1CCC[NH3+] ZINC000852759648 620646609 /nfs/dbraw/zinc/64/66/09/620646609.db2.gz RPQVVDGFISJFJJ-SJLPKXTDSA-N 2 1 323.525 3.055 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000916835379 620646828 /nfs/dbraw/zinc/64/68/28/620646828.db2.gz XZFOAPYQNGBELG-KRWDZBQOSA-N 2 1 301.478 3.108 20 0 DGADMP CC[C@@H](COC)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000154202952 620646939 /nfs/dbraw/zinc/64/69/39/620646939.db2.gz SJVQBGIEACLHRN-KRWDZBQOSA-N 2 1 319.493 3.302 20 0 DGADMP C[C@H]([NH2+]CC1(Br)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853636 617779914 /nfs/dbraw/zinc/77/99/14/617779914.db2.gz GGYWCVCLWKAPPK-QWHCGFSZSA-N 2 1 315.299 3.157 20 0 DGADMP CCSc1ccccc1C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000926202181 617854918 /nfs/dbraw/zinc/85/49/18/617854918.db2.gz CBZGOFMLXCINEX-AWEZNQCLSA-N 2 1 303.475 3.295 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CNc1nccn2c[nH+]cc12 ZINC000891844086 617909513 /nfs/dbraw/zinc/90/95/13/617909513.db2.gz BEPZKXYKFMMPMD-UHFFFAOYSA-N 2 1 309.417 3.182 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1nccn2c[nH+]cc12 ZINC000891844086 617909530 /nfs/dbraw/zinc/90/95/30/617909530.db2.gz BEPZKXYKFMMPMD-UHFFFAOYSA-N 2 1 309.417 3.182 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N3CCC(C[NH+](CC)CC)CC3)c12 ZINC000891872813 617916790 /nfs/dbraw/zinc/91/67/90/617916790.db2.gz WYKVWOLGGIYOIP-UHFFFAOYSA-N 2 1 315.465 3.079 20 0 DGADMP CC[NH+](CC)Cc1cccc(CNc2nccn3c[nH+]cc23)c1 ZINC000891892116 617921293 /nfs/dbraw/zinc/92/12/93/617921293.db2.gz HWYAJAJMTDYYRZ-UHFFFAOYSA-N 2 1 309.417 3.183 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142466 617974392 /nfs/dbraw/zinc/97/43/92/617974392.db2.gz FYFMKCVDCHNNOB-MAUKXSAKSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142466 617974396 /nfs/dbraw/zinc/97/43/96/617974396.db2.gz FYFMKCVDCHNNOB-MAUKXSAKSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@H]1Cc2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142466 617974399 /nfs/dbraw/zinc/97/43/99/617974399.db2.gz FYFMKCVDCHNNOB-MAUKXSAKSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@H]1Cc2cc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142466 617974403 /nfs/dbraw/zinc/97/44/03/617974403.db2.gz FYFMKCVDCHNNOB-MAUKXSAKSA-N 2 1 314.473 3.174 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000892143651 617974641 /nfs/dbraw/zinc/97/46/41/617974641.db2.gz JUFOMNDKZFOQRG-SFHVURJKSA-N 2 1 318.509 3.245 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000892143651 617974645 /nfs/dbraw/zinc/97/46/45/617974645.db2.gz JUFOMNDKZFOQRG-SFHVURJKSA-N 2 1 318.509 3.245 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000892143651 617974647 /nfs/dbraw/zinc/97/46/47/617974647.db2.gz JUFOMNDKZFOQRG-SFHVURJKSA-N 2 1 318.509 3.245 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000892143651 617974649 /nfs/dbraw/zinc/97/46/49/617974649.db2.gz JUFOMNDKZFOQRG-SFHVURJKSA-N 2 1 318.509 3.245 20 0 DGADMP c1cn(C2CC2)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000892145810 617974878 /nfs/dbraw/zinc/97/48/78/617974878.db2.gz SUSKVGIQORDPGS-UHFFFAOYSA-N 2 1 316.493 3.306 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000892144484 617975139 /nfs/dbraw/zinc/97/51/39/617975139.db2.gz DTSGBKATAKQKSW-INIZCTEOSA-N 2 1 304.478 3.147 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926573964 618051982 /nfs/dbraw/zinc/05/19/82/618051982.db2.gz QYKCPEMYWBMQPG-HZPDHXFCSA-N 2 1 304.478 3.297 20 0 DGADMP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000892462672 618072234 /nfs/dbraw/zinc/07/22/34/618072234.db2.gz UOLJDTPWFBEADG-UHFFFAOYSA-N 2 1 300.402 3.174 20 0 DGADMP COC(=O)c1sccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000892584031 618112569 /nfs/dbraw/zinc/11/25/69/618112569.db2.gz GMSBBJCKFMKNRJ-CQSZACIVSA-N 2 1 324.490 3.136 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892668606 618131218 /nfs/dbraw/zinc/13/12/18/618131218.db2.gz OPOVHIQFCMUINH-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892668606 618131221 /nfs/dbraw/zinc/13/12/21/618131221.db2.gz OPOVHIQFCMUINH-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc(OC)no1 ZINC000924585335 618132163 /nfs/dbraw/zinc/13/21/63/618132163.db2.gz UXUHAKZPMGMOGJ-CQSZACIVSA-N 2 1 317.433 3.376 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000854223164 620785898 /nfs/dbraw/zinc/78/58/98/620785898.db2.gz OZMBUJGIWXCYBL-VIFPVBQESA-N 2 1 302.249 3.498 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc2O1 ZINC000894417422 618320592 /nfs/dbraw/zinc/32/05/92/618320592.db2.gz MOHIWGKOXFKKFD-BXEVVDMOSA-N 2 1 300.446 3.067 20 0 DGADMP Cc1[nH+]ccn1CCCN(C)Cc1csc(C(F)(F)F)n1 ZINC000894476971 618348329 /nfs/dbraw/zinc/34/83/29/618348329.db2.gz UXCFSULJZLQCBK-UHFFFAOYSA-N 2 1 318.368 3.189 20 0 DGADMP COCCCC1(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000894479898 618349806 /nfs/dbraw/zinc/34/98/06/618349806.db2.gz VETHRPCKHHOCIZ-SFHVURJKSA-N 2 1 308.510 3.247 20 0 DGADMP CCc1onc(C)c1C[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000892938492 618357828 /nfs/dbraw/zinc/35/78/28/618357828.db2.gz NUAZIBOLJSOAMF-UHFFFAOYSA-N 2 1 301.434 3.287 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC4(CCC[N@H+]4C)CC3)c2c1 ZINC000893092344 618422135 /nfs/dbraw/zinc/42/21/35/618422135.db2.gz MDQBDKHDXLYRDS-UHFFFAOYSA-N 2 1 311.429 3.308 20 0 DGADMP Cc1ncoc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894747134 618443057 /nfs/dbraw/zinc/44/30/57/618443057.db2.gz CGBPXSYVWLULLX-IBGZPJMESA-N 2 1 311.429 3.081 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1OCC(F)F ZINC000894776613 618453398 /nfs/dbraw/zinc/45/33/98/618453398.db2.gz ISHCPWUTIFTELW-UHFFFAOYSA-N 2 1 323.387 3.358 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1OCC(F)F ZINC000894776613 618453402 /nfs/dbraw/zinc/45/34/02/618453402.db2.gz ISHCPWUTIFTELW-UHFFFAOYSA-N 2 1 323.387 3.358 20 0 DGADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893304102 618504522 /nfs/dbraw/zinc/50/45/22/618504522.db2.gz KSMJNTZESOWCKD-QCCXBYOVSA-N 2 1 306.425 3.117 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925661751 618522616 /nfs/dbraw/zinc/52/26/16/618522616.db2.gz WFXNOVZQZRHYJT-HOTGVXAUSA-N 2 1 307.869 3.301 20 0 DGADMP Cc1cc(N2CCC([NH2+]CCCCC(C)C)CC2)nc(C)[nH+]1 ZINC000893358933 618528702 /nfs/dbraw/zinc/52/87/02/618528702.db2.gz ZGDKDFBMINRBBY-UHFFFAOYSA-N 2 1 304.482 3.478 20 0 DGADMP C[NH+](C)[C@@H]1CCCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000893493214 618572330 /nfs/dbraw/zinc/57/23/30/618572330.db2.gz WWLWLBHFNOIHBT-CQSZACIVSA-N 2 1 312.461 3.362 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)[NH+](C)C ZINC000895300551 618591269 /nfs/dbraw/zinc/59/12/69/618591269.db2.gz YXGMCCMUXAXGJN-AWEZNQCLSA-N 2 1 320.868 3.015 20 0 DGADMP CC1=NO[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895301697 618591605 /nfs/dbraw/zinc/59/16/05/618591605.db2.gz KGJZOJBCRZRQBX-NEWSRXKRSA-N 2 1 313.445 3.109 20 0 DGADMP Brc1ccc2oc(C[NH2+]C3CC[NH2+]CC3)cc2c1 ZINC000925760593 618602893 /nfs/dbraw/zinc/60/28/93/618602893.db2.gz YTWOPDFSGKLMIP-UHFFFAOYSA-N 2 1 309.207 3.037 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893566712 618604001 /nfs/dbraw/zinc/60/40/01/618604001.db2.gz GLUOYIXCTHCBFO-RTBURBONSA-N 2 1 320.452 3.319 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(Cl)n1 ZINC000925768033 618611521 /nfs/dbraw/zinc/61/15/21/618611521.db2.gz YKUMTMUHYPKTDW-LLVKDONJSA-N 2 1 304.825 3.056 20 0 DGADMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCC2 ZINC000925811004 618624685 /nfs/dbraw/zinc/62/46/85/618624685.db2.gz BQTJVFFLYJINEM-MGPQQGTHSA-N 2 1 305.491 3.032 20 0 DGADMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCC2 ZINC000925811002 618624777 /nfs/dbraw/zinc/62/47/77/618624777.db2.gz BQTJVFFLYJINEM-MCIONIFRSA-N 2 1 305.491 3.032 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)cc2c1OCC2 ZINC000925889141 618653127 /nfs/dbraw/zinc/65/31/27/618653127.db2.gz HLAMWXQRZPGFEF-OBJOEFQTSA-N 2 1 308.853 3.314 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc3c2NCCC3)CC1 ZINC000893920274 618675965 /nfs/dbraw/zinc/67/59/65/618675965.db2.gz OQGQKXUMONZIIN-UHFFFAOYSA-N 2 1 301.478 3.349 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3c2NCCC3)CC1 ZINC000893920274 618675966 /nfs/dbraw/zinc/67/59/66/618675966.db2.gz OQGQKXUMONZIIN-UHFFFAOYSA-N 2 1 301.478 3.349 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c2c(n1)CCCC2 ZINC000894037853 618697556 /nfs/dbraw/zinc/69/75/56/618697556.db2.gz UFVKFVCLKUXQHR-KRWDZBQOSA-N 2 1 301.478 3.185 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c2c(n1)CCCC2 ZINC000894037853 618697559 /nfs/dbraw/zinc/69/75/59/618697559.db2.gz UFVKFVCLKUXQHR-KRWDZBQOSA-N 2 1 301.478 3.185 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)CCCN2 ZINC000894040684 618698142 /nfs/dbraw/zinc/69/81/42/618698142.db2.gz UYWCZKMGDMNGQT-IBGZPJMESA-N 2 1 313.489 3.495 20 0 DGADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894133445 618717312 /nfs/dbraw/zinc/71/73/12/618717312.db2.gz AZFAAAZCOTVVNN-KRWDZBQOSA-N 2 1 313.420 3.141 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc[nH]3)cc2)C1 ZINC000894184362 618725455 /nfs/dbraw/zinc/72/54/55/618725455.db2.gz YCWUGSSMOSXBCR-IYBDPMFKSA-N 2 1 312.461 3.177 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894212091 618731618 /nfs/dbraw/zinc/73/16/18/618731618.db2.gz WNSBADFLNSGEKO-CYBMUJFWSA-N 2 1 304.459 3.428 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)[C@H]1c1cccs1 ZINC000894287645 618752907 /nfs/dbraw/zinc/75/29/07/618752907.db2.gz IIIKDJXRNSPDCB-KBMXLJTQSA-N 2 1 308.491 3.146 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)[C@H]1c1cccs1 ZINC000894287645 618752910 /nfs/dbraw/zinc/75/29/10/618752910.db2.gz IIIKDJXRNSPDCB-KBMXLJTQSA-N 2 1 308.491 3.146 20 0 DGADMP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000924969042 618753092 /nfs/dbraw/zinc/75/30/92/618753092.db2.gz GUNBOUTVFIOOPO-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479937 618790256 /nfs/dbraw/zinc/79/02/56/618790256.db2.gz YBBWYOALAVWUOJ-GOSISDBHSA-N 2 1 318.509 3.292 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479937 618790260 /nfs/dbraw/zinc/79/02/60/618790260.db2.gz YBBWYOALAVWUOJ-GOSISDBHSA-N 2 1 318.509 3.292 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508132 618792515 /nfs/dbraw/zinc/79/25/15/618792515.db2.gz FSCWOROEMINBHL-YJBOKZPZSA-N 2 1 304.482 3.160 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508132 618792517 /nfs/dbraw/zinc/79/25/17/618792517.db2.gz FSCWOROEMINBHL-YJBOKZPZSA-N 2 1 304.482 3.160 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508343 618793070 /nfs/dbraw/zinc/79/30/70/618793070.db2.gz FZHKBSQVOZNPSX-CZUORRHYSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508343 618793071 /nfs/dbraw/zinc/79/30/71/618793071.db2.gz FZHKBSQVOZNPSX-CZUORRHYSA-N 2 1 317.433 3.086 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895539711 618796618 /nfs/dbraw/zinc/79/66/18/618796618.db2.gz BUMGAUIGFKCPTE-UHMOLFJZSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895539711 618796619 /nfs/dbraw/zinc/79/66/19/618796619.db2.gz BUMGAUIGFKCPTE-UHMOLFJZSA-N 2 1 314.473 3.369 20 0 DGADMP CC(C)c1ncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)s1 ZINC000895556549 618798515 /nfs/dbraw/zinc/79/85/15/618798515.db2.gz JWJLXKAAKDVONJ-AWEZNQCLSA-N 2 1 316.474 3.372 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)s1 ZINC000895556549 618798517 /nfs/dbraw/zinc/79/85/17/618798517.db2.gz JWJLXKAAKDVONJ-AWEZNQCLSA-N 2 1 316.474 3.372 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cnc(C3CC3)s2)CCN1c1cc[nH+]cc1 ZINC000895557409 618798689 /nfs/dbraw/zinc/79/86/89/618798689.db2.gz PGLVAHYKFDKWDB-CYBMUJFWSA-N 2 1 314.458 3.126 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)s2)CCN1c1cc[nH+]cc1 ZINC000895557409 618798691 /nfs/dbraw/zinc/79/86/91/618798691.db2.gz PGLVAHYKFDKWDB-CYBMUJFWSA-N 2 1 314.458 3.126 20 0 DGADMP CC(C)Cn1nccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683680 618818392 /nfs/dbraw/zinc/81/83/92/618818392.db2.gz RVZMHYYBHKMPDO-UHFFFAOYSA-N 2 1 306.498 3.237 20 0 DGADMP CC(C)C[N@H+](Cc1ccnn1C1CCC1)CC1CC[NH+](C)CC1 ZINC000895861892 618840638 /nfs/dbraw/zinc/84/06/38/618840638.db2.gz UOQONGKWOIHIRW-UHFFFAOYSA-N 2 1 318.509 3.408 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000895858258 618842966 /nfs/dbraw/zinc/84/29/66/618842966.db2.gz LFFGHCRZGPUZMW-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC000896054131 618868941 /nfs/dbraw/zinc/86/89/41/618868941.db2.gz FMFHZPOALVMGHJ-INIZCTEOSA-N 2 1 307.507 3.048 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000909596692 619043882 /nfs/dbraw/zinc/04/38/82/619043882.db2.gz RSDQOAFTGNYAAS-WMZOPIPTSA-N 2 1 315.461 3.012 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000909613475 619061327 /nfs/dbraw/zinc/06/13/27/619061327.db2.gz YHOCGHNUBYZNAQ-OWCLPIDISA-N 2 1 317.477 3.256 20 0 DGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000897909939 619194983 /nfs/dbraw/zinc/19/49/83/619194983.db2.gz SGBVWFADOPTRPS-IRXDYDNUSA-N 2 1 315.461 3.047 20 0 DGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000897909939 619194984 /nfs/dbraw/zinc/19/49/84/619194984.db2.gz SGBVWFADOPTRPS-IRXDYDNUSA-N 2 1 315.461 3.047 20 0 DGADMP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000897969187 619200569 /nfs/dbraw/zinc/20/05/69/619200569.db2.gz FYHQMHXGAXNVMN-QGZVFWFLSA-N 2 1 309.457 3.267 20 0 DGADMP FC1(F)CCC(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000898032490 619208042 /nfs/dbraw/zinc/20/80/42/619208042.db2.gz RWLAIDIRGOZQDX-MRXNPFEDSA-N 2 1 316.436 3.045 20 0 DGADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CC(C)(C)C[NH+](C)C)o1 ZINC000898307237 619235417 /nfs/dbraw/zinc/23/54/17/619235417.db2.gz VMMIXCLVNXAVBH-UHFFFAOYSA-N 2 1 318.465 3.008 20 0 DGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC(C)(C)C[NH+](C)C)o1 ZINC000898307237 619235420 /nfs/dbraw/zinc/23/54/20/619235420.db2.gz VMMIXCLVNXAVBH-UHFFFAOYSA-N 2 1 318.465 3.008 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683169 619257010 /nfs/dbraw/zinc/25/70/10/619257010.db2.gz ZHXPYWNYIKSIFY-WBAXXEDZSA-N 2 1 302.462 3.191 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683169 619257011 /nfs/dbraw/zinc/25/70/11/619257011.db2.gz ZHXPYWNYIKSIFY-WBAXXEDZSA-N 2 1 302.462 3.191 20 0 DGADMP CCn1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000924685167 619257512 /nfs/dbraw/zinc/25/75/12/619257512.db2.gz NWVLBFIBSIPSSG-XHSDSOJGSA-N 2 1 321.513 3.015 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000927023670 619257727 /nfs/dbraw/zinc/25/77/27/619257727.db2.gz FNCPVPCJPWXABB-NZSAHSFTSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000927023669 619257772 /nfs/dbraw/zinc/25/77/72/619257772.db2.gz FNCPVPCJPWXABB-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)no1 ZINC000898518685 619283542 /nfs/dbraw/zinc/28/35/42/619283542.db2.gz JEWWEDFBPYRHDC-SQNIBIBYSA-N 2 1 311.429 3.065 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCSC4)C[C@@H]3C2)cc1 ZINC000898522988 619284033 /nfs/dbraw/zinc/28/40/33/619284033.db2.gz WRXNCBMLVUTVCK-MANSERQUSA-N 2 1 316.514 3.382 20 0 DGADMP CC[C@@H](COC)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520466 619284039 /nfs/dbraw/zinc/28/40/39/619284039.db2.gz ZHVREDNCLRVHBL-FYQPLNBISA-N 2 1 316.489 3.302 20 0 DGADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924754166 619326462 /nfs/dbraw/zinc/32/64/62/619326462.db2.gz GXAMYOSCOYVLBO-CQSZACIVSA-N 2 1 316.445 3.239 20 0 DGADMP C[N@H+]1CC[C@H]1CNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899877774 619380489 /nfs/dbraw/zinc/38/04/89/619380489.db2.gz VUASCRFHFJIGDM-JTQLQIEISA-N 2 1 311.307 3.249 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000924769968 619391104 /nfs/dbraw/zinc/39/11/04/619391104.db2.gz MTUXNKBPFHURJX-XNIJUTNWSA-N 2 1 308.510 3.148 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000924769968 619391106 /nfs/dbraw/zinc/39/11/06/619391106.db2.gz MTUXNKBPFHURJX-XNIJUTNWSA-N 2 1 308.510 3.148 20 0 DGADMP CCc1oc2ccccc2c1-c1cc(C[N@H+](C)CCC[NH3+])on1 ZINC000901401827 619500255 /nfs/dbraw/zinc/50/02/55/619500255.db2.gz VUXUUQNVBJIFBU-UHFFFAOYSA-N 2 1 313.401 3.431 20 0 DGADMP CCc1oc2ccccc2c1-c1cc(C[N@@H+](C)CCC[NH3+])on1 ZINC000901401827 619500256 /nfs/dbraw/zinc/50/02/56/619500256.db2.gz VUXUUQNVBJIFBU-UHFFFAOYSA-N 2 1 313.401 3.431 20 0 DGADMP CNc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000902181903 619597219 /nfs/dbraw/zinc/59/72/19/619597219.db2.gz GIALMQQOSOGSNI-IBGZPJMESA-N 2 1 323.484 3.383 20 0 DGADMP CCNc1ccccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000902301476 619616128 /nfs/dbraw/zinc/61/61/28/619616128.db2.gz VUYZKGCOISQBKG-UHFFFAOYSA-N 2 1 319.493 3.097 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902344739 619619254 /nfs/dbraw/zinc/61/92/54/619619254.db2.gz FGMFCVMIYGDGOA-KSZLIROESA-N 3 1 309.542 3.112 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000902384978 619629252 /nfs/dbraw/zinc/62/92/52/619629252.db2.gz QMKVGCHWNPIFTN-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000902384978 619629254 /nfs/dbraw/zinc/62/92/54/619629254.db2.gz QMKVGCHWNPIFTN-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902400943 619631856 /nfs/dbraw/zinc/63/18/56/619631856.db2.gz XVGGFWVTPDTVKD-SJORKVTESA-N 2 1 313.436 3.098 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000902405532 619632513 /nfs/dbraw/zinc/63/25/13/619632513.db2.gz IOGYKOYFNKBVNA-LLVKDONJSA-N 2 1 301.253 3.043 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000902415380 619632540 /nfs/dbraw/zinc/63/25/40/619632540.db2.gz GATMPUVCXQBUGB-ZDUSSCGKSA-N 2 1 317.433 3.408 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000902415521 619632609 /nfs/dbraw/zinc/63/26/09/619632609.db2.gz HGOFHCDNGCIPKX-ZDUSSCGKSA-N 2 1 317.433 3.408 20 0 DGADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902418697 619633007 /nfs/dbraw/zinc/63/30/07/619633007.db2.gz YLUWXVPKXFSVKV-SNVBAGLBSA-N 2 1 305.422 3.400 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902437425 619636151 /nfs/dbraw/zinc/63/61/51/619636151.db2.gz HTZZBPKUMKJUKO-FCXXMXSZSA-N 2 1 321.468 3.036 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902736974 619667799 /nfs/dbraw/zinc/66/77/99/619667799.db2.gz ZEPMKOGADAZRQX-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902761127 619671867 /nfs/dbraw/zinc/67/18/67/619671867.db2.gz KPYPLOPIJFCHJB-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793626 619677438 /nfs/dbraw/zinc/67/74/38/619677438.db2.gz LFPIGEWGQAQLOY-PXRSPZQOSA-N 2 1 306.494 3.044 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793626 619677440 /nfs/dbraw/zinc/67/74/40/619677440.db2.gz LFPIGEWGQAQLOY-PXRSPZQOSA-N 2 1 306.494 3.044 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902818118 619678952 /nfs/dbraw/zinc/67/89/52/619678952.db2.gz JVYFIOFWEVSRPC-CRAIPNDOSA-N 2 1 313.445 3.201 20 0 DGADMP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000902979901 619699243 /nfs/dbraw/zinc/69/92/43/619699243.db2.gz VJDRGNBLNFYPLN-UHBLESBASA-N 2 1 318.505 3.187 20 0 DGADMP c1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903058155 619707237 /nfs/dbraw/zinc/70/72/37/619707237.db2.gz GRNNLRSADXRRRN-ZNXRZULTSA-N 2 1 300.446 3.203 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2c(c1)OCO2 ZINC000903067181 619710112 /nfs/dbraw/zinc/71/01/12/619710112.db2.gz NOLNKEXTXZZZEA-JATKITJMSA-N 2 1 314.429 3.224 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069592 619715152 /nfs/dbraw/zinc/71/51/52/619715152.db2.gz HZERKTQYVFWVEN-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069592 619715153 /nfs/dbraw/zinc/71/51/53/619715153.db2.gz HZERKTQYVFWVEN-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP COCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903074072 619715831 /nfs/dbraw/zinc/71/58/31/619715831.db2.gz RBTFLAMKYPAEPV-JLYLLQBASA-N 2 1 300.446 3.080 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000903099489 619716258 /nfs/dbraw/zinc/71/62/58/619716258.db2.gz ITWODTUORZRZFE-DLTWYDFYSA-N 2 1 308.491 3.288 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000903099489 619716259 /nfs/dbraw/zinc/71/62/59/619716259.db2.gz ITWODTUORZRZFE-DLTWYDFYSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Oc1ccccc1F ZINC000903103095 619717166 /nfs/dbraw/zinc/71/71/66/619717166.db2.gz DRSRKIYASTZVMQ-YTTRVJOFSA-N 2 1 318.436 3.340 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903132822 619723682 /nfs/dbraw/zinc/72/36/82/619723682.db2.gz YQGYLFBEZOWWBS-LJQANCHMSA-N 2 1 318.436 3.145 20 0 DGADMP CC(C)[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903179634 619731323 /nfs/dbraw/zinc/73/13/23/619731323.db2.gz RWMHZRNNGZEFKB-XEHBXRSQSA-N 2 1 306.494 3.185 20 0 DGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1(O)CCCC1 ZINC000903182540 619731671 /nfs/dbraw/zinc/73/16/71/619731671.db2.gz DKTCPOKGTUMSAL-ZXFUBFMLSA-N 2 1 306.494 3.065 20 0 DGADMP c1cc2cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc2[nH]1 ZINC000903168008 619732457 /nfs/dbraw/zinc/73/24/57/619732457.db2.gz ROUCERHUKDLJSS-JLYLLQBASA-N 2 1 309.457 3.458 20 0 DGADMP Cc1cc(CO)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903223383 619741793 /nfs/dbraw/zinc/74/17/93/619741793.db2.gz CMTOFMPHKKMYBY-JLYLLQBASA-N 2 1 314.473 3.043 20 0 DGADMP C(C[C@@H]1CCC2(CCC2)O1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903228052 619744088 /nfs/dbraw/zinc/74/40/88/619744088.db2.gz SHYYLLDRTUGTIF-ONQFOCNCSA-N 2 1 304.478 3.226 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000903332638 619762833 /nfs/dbraw/zinc/76/28/33/619762833.db2.gz JXWCBJDYNAGBRI-UHFFFAOYSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000903441299 619775753 /nfs/dbraw/zinc/77/57/53/619775753.db2.gz MDTVFLBJOVSNJP-ILXRZTDVSA-N 2 1 315.486 3.331 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000903441430 619775834 /nfs/dbraw/zinc/77/58/34/619775834.db2.gz RRCKPPDGKQZCAN-BTHPGYMESA-N 2 1 316.489 3.210 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000903460399 619776740 /nfs/dbraw/zinc/77/67/40/619776740.db2.gz ALTFGDFJYCGFAU-BHIYHBOVSA-N 2 1 313.445 3.029 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903453810 619779257 /nfs/dbraw/zinc/77/92/57/619779257.db2.gz MJEMTJYBONEMLN-YESZJQIVSA-N 2 1 306.400 3.111 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903453626 619779297 /nfs/dbraw/zinc/77/92/97/619779297.db2.gz FHJDLXYJRAUIBS-XSLAGTTESA-N 2 1 320.427 3.357 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)[C@@H]1c1ccccc1 ZINC000903476402 619780207 /nfs/dbraw/zinc/78/02/07/619780207.db2.gz WABWDRVODAGBML-NXOAAHMSSA-N 2 1 306.400 3.109 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000903491165 619782444 /nfs/dbraw/zinc/78/24/44/619782444.db2.gz YALHHASMWLIPLY-SLYNCCJLSA-N 2 1 322.452 3.011 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000903496567 619782509 /nfs/dbraw/zinc/78/25/09/619782509.db2.gz SOVTYSZDVLWJCJ-RHSMWYFYSA-N 2 1 302.462 3.231 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722457 619803791 /nfs/dbraw/zinc/80/37/91/619803791.db2.gz BCXSRUQICLUVBS-MOPGFXCFSA-N 2 1 314.473 3.291 20 0 DGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724635 619804062 /nfs/dbraw/zinc/80/40/62/619804062.db2.gz OUVLXEWLSWDRAJ-BZSNNMDCSA-N 2 1 320.864 3.246 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722859 619804379 /nfs/dbraw/zinc/80/43/79/619804379.db2.gz DWAFHIQRJIBPOD-PBHICJAKSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723894 619804409 /nfs/dbraw/zinc/80/44/09/619804409.db2.gz JGUKPYOPNPRIIY-HUUCEWRRSA-N 2 1 322.880 3.492 20 0 DGADMP Cc1ccc(C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)s1 ZINC000903725506 619805171 /nfs/dbraw/zinc/80/51/71/619805171.db2.gz BTNHJRHGFIKDNM-MRXNPFEDSA-N 2 1 322.518 3.426 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1C ZINC000903734596 619807847 /nfs/dbraw/zinc/80/78/47/619807847.db2.gz SLJBDVTWVYEJQT-HOJAQTOUSA-N 2 1 314.473 3.209 20 0 DGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766939 619810146 /nfs/dbraw/zinc/81/01/46/619810146.db2.gz DGJOIQZQVGSWHF-CMKODMSKSA-N 2 1 314.473 3.209 20 0 DGADMP c1ccc([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903768152 619810290 /nfs/dbraw/zinc/81/02/90/619810290.db2.gz KYBOZUPSUFAVKB-OALUTQOASA-N 2 1 314.473 3.025 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000903785511 619813303 /nfs/dbraw/zinc/81/33/03/619813303.db2.gz ZPPVCYZYRVMTGR-NZSAHSFTSA-N 2 1 314.473 3.228 20 0 DGADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903785952 619813323 /nfs/dbraw/zinc/81/33/23/619813323.db2.gz CMOIQLUPTLOICY-GJZGRUSLSA-N 2 1 319.518 3.201 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903785510 619813441 /nfs/dbraw/zinc/81/34/41/619813441.db2.gz ZPPVCYZYRVMTGR-NEWSRXKRSA-N 2 1 314.473 3.228 20 0 DGADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903815867 619814478 /nfs/dbraw/zinc/81/44/78/619814478.db2.gz SZWOIDFRALMSNQ-GOSISDBHSA-N 2 1 315.461 3.129 20 0 DGADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cs1 ZINC000903811847 619817594 /nfs/dbraw/zinc/81/75/94/619817594.db2.gz OORFXAYOQYIJHL-OAHLLOKOSA-N 2 1 322.474 3.018 20 0 DGADMP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cs1 ZINC000903811847 619817597 /nfs/dbraw/zinc/81/75/97/619817597.db2.gz OORFXAYOQYIJHL-OAHLLOKOSA-N 2 1 322.474 3.018 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000903831879 619820981 /nfs/dbraw/zinc/82/09/81/619820981.db2.gz MQKNIDKQVFQIAZ-IYHXRUFHSA-N 2 1 315.461 3.148 20 0 DGADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903889360 619826438 /nfs/dbraw/zinc/82/64/38/619826438.db2.gz RHRJKFRMRMFNOD-FPVZDTGUSA-N 2 1 314.473 3.105 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904011 619831986 /nfs/dbraw/zinc/83/19/86/619831986.db2.gz OCPNDVPXXSMBSJ-ZXFUBFMLSA-N 2 1 318.461 3.056 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923169 619834442 /nfs/dbraw/zinc/83/44/42/619834442.db2.gz NFPAPJUXRHQPMH-BXKDBHETSA-N 2 1 310.310 3.209 20 0 DGADMP CC[N@@H+](CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000903931355 619836429 /nfs/dbraw/zinc/83/64/29/619836429.db2.gz BPOCZMRWELAXMH-AYHJJNSGSA-N 3 1 307.526 3.151 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903959864 619839893 /nfs/dbraw/zinc/83/98/93/619839893.db2.gz QGKPOOHDAXWNGW-KRWDZBQOSA-N 2 1 316.474 3.104 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903959864 619839895 /nfs/dbraw/zinc/83/98/95/619839895.db2.gz QGKPOOHDAXWNGW-KRWDZBQOSA-N 2 1 316.474 3.104 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959883 619840090 /nfs/dbraw/zinc/84/00/90/619840090.db2.gz QTDNXYUFSAPJRS-HXUWFJFHSA-N 2 1 324.472 3.146 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959883 619840093 /nfs/dbraw/zinc/84/00/93/619840093.db2.gz QTDNXYUFSAPJRS-HXUWFJFHSA-N 2 1 324.472 3.146 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000903948965 619844655 /nfs/dbraw/zinc/84/46/55/619844655.db2.gz WQZZHDMNMDDRFM-UHFFFAOYSA-N 3 1 321.534 3.092 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000903955315 619846349 /nfs/dbraw/zinc/84/63/49/619846349.db2.gz OZFGZYGOKLHAHA-NSHDSACASA-N 2 1 302.434 3.380 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000903955052 619846361 /nfs/dbraw/zinc/84/63/61/619846361.db2.gz JNGMAYQGLRRJOB-OAHLLOKOSA-N 2 1 324.415 3.342 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1CC[NH3+] ZINC000903977780 619848666 /nfs/dbraw/zinc/84/86/66/619848666.db2.gz ZDNPGAHPAPUWMF-UKRRQHHQSA-N 2 1 301.459 3.227 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326781 619914018 /nfs/dbraw/zinc/91/40/18/619914018.db2.gz SCSSPHWNZPYGKL-YOEHRIQHSA-N 2 1 307.507 3.404 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326781 619914020 /nfs/dbraw/zinc/91/40/20/619914020.db2.gz SCSSPHWNZPYGKL-YOEHRIQHSA-N 2 1 307.507 3.404 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C2CC2)c(OC)c1 ZINC000904343028 619914786 /nfs/dbraw/zinc/91/47/86/619914786.db2.gz QQNWOIORGAQQJC-GRDNDAEWSA-N 2 1 318.461 3.042 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405429 619919907 /nfs/dbraw/zinc/91/99/07/619919907.db2.gz IFKHQRJHLPAIPT-CQSZACIVSA-N 2 1 318.852 3.005 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000904406398 619919976 /nfs/dbraw/zinc/91/99/76/619919976.db2.gz SFGKTNZHNJRHPY-CHWSQXEVSA-N 2 1 311.267 3.223 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](CC[NH3+])C3)s2)cc1 ZINC000904406118 619920100 /nfs/dbraw/zinc/92/01/00/619920100.db2.gz PTDDQTPKHRGEDR-CQSZACIVSA-N 2 1 301.459 3.289 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000904411183 619920493 /nfs/dbraw/zinc/92/04/93/619920493.db2.gz JJWQZMDJQXQZGS-NVXWUHKLSA-N 2 1 320.477 3.147 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@H]1C[NH3+] ZINC000904412681 619921109 /nfs/dbraw/zinc/92/11/09/619921109.db2.gz WFVKKPPRYZZFKM-MNOVXSKESA-N 2 1 304.331 3.261 20 0 DGADMP Cc1cccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000905047604 619966216 /nfs/dbraw/zinc/96/62/16/619966216.db2.gz UEYISFAUXIJUNM-MJGOQNOKSA-N 2 1 304.478 3.273 20 0 DGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cc2C[NH+](C)C)C1 ZINC000906694788 620114960 /nfs/dbraw/zinc/11/49/60/620114960.db2.gz HOHYTUWAMOWXNJ-MRXNPFEDSA-N 2 1 317.477 3.117 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000907881586 620178243 /nfs/dbraw/zinc/17/82/43/620178243.db2.gz GGBRBSLAYFBPHI-QGZVFWFLSA-N 2 1 324.428 3.058 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000907881586 620178245 /nfs/dbraw/zinc/17/82/45/620178245.db2.gz GGBRBSLAYFBPHI-QGZVFWFLSA-N 2 1 324.428 3.058 20 0 DGADMP CCCCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000913395824 620439949 /nfs/dbraw/zinc/43/99/49/620439949.db2.gz SVFSSADJJPLZNL-IBGZPJMESA-N 2 1 322.468 3.275 20 0 DGADMP CCCCC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000913395824 620439950 /nfs/dbraw/zinc/43/99/50/620439950.db2.gz SVFSSADJJPLZNL-IBGZPJMESA-N 2 1 322.468 3.275 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921500298 620874751 /nfs/dbraw/zinc/87/47/51/620874751.db2.gz CRGDPXNJRRWWES-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1cnn(C2CCC2)c1)C1CCCCC1 ZINC000921503700 620875827 /nfs/dbraw/zinc/87/58/27/620875827.db2.gz TUZIZWVRGGDGGL-UHFFFAOYSA-N 2 1 304.482 3.352 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cnn(C2CCC2)c1)C1CCCCC1 ZINC000921503700 620875831 /nfs/dbraw/zinc/87/58/31/620875831.db2.gz TUZIZWVRGGDGGL-UHFFFAOYSA-N 2 1 304.482 3.352 20 0 DGADMP Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C)cc2)[nH]c1C ZINC000921662042 620929156 /nfs/dbraw/zinc/92/91/56/620929156.db2.gz SKGDFPXQMFDTEP-INIZCTEOSA-N 2 1 312.417 3.116 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2O1 ZINC000921790404 620950421 /nfs/dbraw/zinc/95/04/21/620950421.db2.gz HXJSBWZQFVRJBE-DXJOGWAWSA-N 2 1 300.446 3.115 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C2CCCC2)n1 ZINC000921817589 620955018 /nfs/dbraw/zinc/95/50/18/620955018.db2.gz LJBVPBYQUODHKG-IRXDYDNUSA-N 2 1 304.482 3.040 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921979581 620975773 /nfs/dbraw/zinc/97/57/73/620975773.db2.gz GSNCATKCZRSOGJ-CRAIPNDOSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921979581 620975775 /nfs/dbraw/zinc/97/57/75/620975775.db2.gz GSNCATKCZRSOGJ-CRAIPNDOSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980034 620975860 /nfs/dbraw/zinc/97/58/60/620975860.db2.gz IIXJPGTZFLJCIO-HZPDHXFCSA-N 2 1 316.493 3.351 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980034 620975862 /nfs/dbraw/zinc/97/58/62/620975862.db2.gz IIXJPGTZFLJCIO-HZPDHXFCSA-N 2 1 316.493 3.351 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(C)CCC3)C2)ccn1 ZINC000856551359 621004631 /nfs/dbraw/zinc/00/46/31/621004631.db2.gz QBPAEJWEVLGPNK-SFHVURJKSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3(C)CCC3)C2)ccn1 ZINC000856551359 621004632 /nfs/dbraw/zinc/00/46/32/621004632.db2.gz QBPAEJWEVLGPNK-SFHVURJKSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3(C)CCC3)C2)ccn1 ZINC000856551359 621004636 /nfs/dbraw/zinc/00/46/36/621004636.db2.gz QBPAEJWEVLGPNK-SFHVURJKSA-N 2 1 317.477 3.177 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1Cl ZINC000856765728 621017269 /nfs/dbraw/zinc/01/72/69/621017269.db2.gz LJZPXPZQVURMHF-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1Cl ZINC000856765728 621017270 /nfs/dbraw/zinc/01/72/70/621017270.db2.gz LJZPXPZQVURMHF-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000922631876 621070643 /nfs/dbraw/zinc/07/06/43/621070643.db2.gz XXTFKNKRGRZQON-BBWFWOEESA-N 2 1 307.507 3.338 20 0 DGADMP c1[nH]nc2c1CCC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000857846021 621121155 /nfs/dbraw/zinc/12/11/55/621121155.db2.gz GXAISOAEXCNQTE-SFHVURJKSA-N 2 1 310.445 3.173 20 0 DGADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000857846021 621121156 /nfs/dbraw/zinc/12/11/56/621121156.db2.gz GXAISOAEXCNQTE-SFHVURJKSA-N 2 1 310.445 3.173 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857846848 621122003 /nfs/dbraw/zinc/12/20/03/621122003.db2.gz QHSLCRMPBYNXPU-SFHVURJKSA-N 2 1 312.461 3.419 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000858146764 621157807 /nfs/dbraw/zinc/15/78/07/621157807.db2.gz OVJUILWJCIBLCM-ZWKOTPCHSA-N 2 1 315.505 3.426 20 0 DGADMP C[C@H]([NH2+]Cc1ccnc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000858157115 621159663 /nfs/dbraw/zinc/15/96/63/621159663.db2.gz CZSVQXKIJNCQTP-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP COc1cc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000923306651 621173450 /nfs/dbraw/zinc/17/34/50/621173450.db2.gz UCDJIKQJOJEAOJ-ZXFUBFMLSA-N 2 1 318.461 3.056 20 0 DGADMP Oc1ccc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923308135 621173739 /nfs/dbraw/zinc/17/37/39/621173739.db2.gz CPCPGOZLHMVFDC-SOXMVSPVSA-N 2 1 300.446 3.450 20 0 DGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(OC)cc1 ZINC000923307508 621173885 /nfs/dbraw/zinc/17/38/85/621173885.db2.gz XHGWPUSDMXYJFN-AYHJJNSGSA-N 2 1 302.462 3.438 20 0 DGADMP Fc1ccc([C@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000923305093 621174260 /nfs/dbraw/zinc/17/42/60/621174260.db2.gz FCUYZLROBZPJHV-DPGVMXDBSA-N 2 1 318.436 3.120 20 0 DGADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309111 621175489 /nfs/dbraw/zinc/17/54/89/621175489.db2.gz REWGVCAQZRNISB-FXAWDEMLSA-N 2 1 322.452 3.355 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)sc1C(C)(C)C ZINC000923332791 621176369 /nfs/dbraw/zinc/17/63/69/621176369.db2.gz NPWFDVBXJMUYQP-MELADBBJSA-N 2 1 307.507 3.308 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)sc1C(C)(C)C ZINC000923332791 621176370 /nfs/dbraw/zinc/17/63/70/621176370.db2.gz NPWFDVBXJMUYQP-MELADBBJSA-N 2 1 307.507 3.308 20 0 DGADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000923374666 621179231 /nfs/dbraw/zinc/17/92/31/621179231.db2.gz XOAGRQBGCCHCPL-CQSZACIVSA-N 2 1 319.518 3.343 20 0 DGADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000923374666 621179233 /nfs/dbraw/zinc/17/92/33/621179233.db2.gz XOAGRQBGCCHCPL-CQSZACIVSA-N 2 1 319.518 3.343 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CC4CCC3CC4)C2)C1 ZINC000923388341 621180708 /nfs/dbraw/zinc/18/07/08/621180708.db2.gz OLUHESGPOGVNLU-HEPMNBHFSA-N 2 1 306.494 3.031 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC2CCC3(CC3)CC2)C1 ZINC000923393644 621181194 /nfs/dbraw/zinc/18/11/94/621181194.db2.gz VJEFCDJSSKUZLD-KZNAEPCWSA-N 2 1 306.494 3.318 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@H]1C(F)(F)F ZINC000923401476 621181751 /nfs/dbraw/zinc/18/17/51/621181751.db2.gz NNXOVGSCHGSQHD-UONOGXRCSA-N 2 1 304.400 3.416 20 0 DGADMP CCc1ncc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000923422860 621182805 /nfs/dbraw/zinc/18/28/05/621182805.db2.gz UDUVJKOUWFAFGU-WMLDXEAASA-N 2 1 305.466 3.357 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923428032 621183520 /nfs/dbraw/zinc/18/35/20/621183520.db2.gz WZCKOFVMDNFFRP-BPQIPLTHSA-N 2 1 314.473 3.022 20 0 DGADMP c1csc(C[C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923433054 621184539 /nfs/dbraw/zinc/18/45/39/621184539.db2.gz VKBDAGALBWNKMR-IFFAKLHKSA-N 2 1 319.518 3.318 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496672 621187399 /nfs/dbraw/zinc/18/73/99/621187399.db2.gz CCKRJBVPQSTZJA-YPMHNXCESA-N 2 1 305.447 3.128 20 0 DGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484084 621187449 /nfs/dbraw/zinc/18/74/49/621187449.db2.gz VCIUASMLMCILNE-RYUDHWBXSA-N 2 1 308.376 3.163 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000923480599 621187617 /nfs/dbraw/zinc/18/76/17/621187617.db2.gz JOAOYCGUZJXWHF-LLVKDONJSA-N 2 1 323.412 3.259 20 0 DGADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1C[NH3+] ZINC000923488390 621187982 /nfs/dbraw/zinc/18/79/82/621187982.db2.gz FAATUQBYUOIPIH-ZFWWWQNUSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1C[NH3+] ZINC000923502386 621188348 /nfs/dbraw/zinc/18/83/48/621188348.db2.gz WWZXJCNBPPJMGH-QWRGUYRKSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923502497 621188763 /nfs/dbraw/zinc/18/87/63/621188763.db2.gz ZZEOEKIIKWERQX-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@H]1C[NH3+] ZINC000923501852 621189200 /nfs/dbraw/zinc/18/92/00/621189200.db2.gz WECCDQIUWSXYTF-QWRGUYRKSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@H]1C[NH3+] ZINC000923499987 621189264 /nfs/dbraw/zinc/18/92/64/621189264.db2.gz PQWLDYGCFDLLQE-MNOVXSKESA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1C[NH3+] ZINC000923498983 621189445 /nfs/dbraw/zinc/18/94/45/621189445.db2.gz JTSJZKOTAAQOEE-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923504653 621189739 /nfs/dbraw/zinc/18/97/39/621189739.db2.gz SCWGWWSCGGPOOK-YOEHRIQHSA-N 2 1 302.462 3.231 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c(CO)c1 ZINC000858487139 621197187 /nfs/dbraw/zinc/19/71/87/621197187.db2.gz UWSVBECDPAGPFO-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000858490334 621197766 /nfs/dbraw/zinc/19/77/66/621197766.db2.gz GOWBPTMURPEXSY-CVEARBPZSA-N 2 1 320.477 3.224 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)CC2CCCC2)cc1 ZINC000859211921 621260786 /nfs/dbraw/zinc/26/07/86/621260786.db2.gz CUMCFWUMKRQHDQ-LJQANCHMSA-N 2 1 304.478 3.121 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000103340079 621343141 /nfs/dbraw/zinc/34/31/41/621343141.db2.gz RJQRIBZXMODDHW-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP COc1cc(C)c([C@@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000753664407 621458544 /nfs/dbraw/zinc/45/85/44/621458544.db2.gz JYAQZHNNGBEAHF-WBVHZDCISA-N 2 1 302.462 3.447 20 0 DGADMP C(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CCC[NH+]1CCCC1 ZINC000754795698 621533211 /nfs/dbraw/zinc/53/32/11/621533211.db2.gz ONGMYWAEDAVFEB-OALUTQOASA-N 3 1 307.526 3.249 20 0 DGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000863692216 621701291 /nfs/dbraw/zinc/70/12/91/621701291.db2.gz RYAUGZAGXYMPHN-KRWDZBQOSA-N 2 1 310.445 3.028 20 0 DGADMP Fc1cccc2cc(C[NH2+]CCC[NH+]3CCCCC3)cnc12 ZINC000865405373 621911566 /nfs/dbraw/zinc/91/15/66/621911566.db2.gz HGKQFRAHRLCSMZ-UHFFFAOYSA-N 2 1 301.409 3.340 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(C)cc1 ZINC000760865786 621969264 /nfs/dbraw/zinc/96/92/64/621969264.db2.gz VITZCSXURQVFKI-RTBURBONSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(C)cc1 ZINC000760865786 621969267 /nfs/dbraw/zinc/96/92/67/621969267.db2.gz VITZCSXURQVFKI-RTBURBONSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(C)cc1 ZINC000760865786 621969270 /nfs/dbraw/zinc/96/92/70/621969270.db2.gz VITZCSXURQVFKI-RTBURBONSA-N 2 1 304.478 3.225 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000865826261 622002399 /nfs/dbraw/zinc/00/23/99/622002399.db2.gz OFFVMOMGKMCGLD-GFCCVEGCSA-N 2 1 313.367 3.411 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000865826261 622002400 /nfs/dbraw/zinc/00/24/00/622002400.db2.gz OFFVMOMGKMCGLD-GFCCVEGCSA-N 2 1 313.367 3.411 20 0 DGADMP C[NH+]1CCC(CNc2[nH+]cnc3[nH]ccc32)(c2ccccc2)CC1 ZINC000866015954 622033053 /nfs/dbraw/zinc/03/30/53/622033053.db2.gz JBUASUXGDAIFBU-UHFFFAOYSA-N 2 1 321.428 3.033 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866243291 622074410 /nfs/dbraw/zinc/07/44/10/622074410.db2.gz XRLNBEGRIARESI-IFXJQAMLSA-N 2 1 320.452 3.150 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866251239 622076326 /nfs/dbraw/zinc/07/63/26/622076326.db2.gz PQZIMDWISPXGOG-SNVBAGLBSA-N 2 1 304.781 3.337 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866251290 622076349 /nfs/dbraw/zinc/07/63/49/622076349.db2.gz RDEKTUPBMWGCSP-OAHLLOKOSA-N 2 1 308.429 3.351 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)[C@H](C)C1 ZINC000866543087 622135843 /nfs/dbraw/zinc/13/58/43/622135843.db2.gz REQUTCSGUZRDES-HUUCEWRRSA-N 2 1 320.468 3.394 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCCC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000866543145 622136010 /nfs/dbraw/zinc/13/60/10/622136010.db2.gz RSPHGXYUCVTCCX-RWMBFGLXSA-N 2 1 310.429 3.134 20 0 DGADMP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866562252 622138059 /nfs/dbraw/zinc/13/80/59/622138059.db2.gz QLYJXUOSSNVADV-HXUWFJFHSA-N 2 1 319.537 3.248 20 0 DGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866563147 622138666 /nfs/dbraw/zinc/13/86/66/622138666.db2.gz XNUDMMBGELINBG-SFHVURJKSA-N 2 1 322.493 3.059 20 0 DGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866563147 622138670 /nfs/dbraw/zinc/13/86/70/622138670.db2.gz XNUDMMBGELINBG-SFHVURJKSA-N 2 1 322.493 3.059 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC2OCCCO2)CC1 ZINC000763430251 622145827 /nfs/dbraw/zinc/14/58/27/622145827.db2.gz CBFIWHMPXBRPDZ-KRWDZBQOSA-N 2 1 324.509 3.116 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1Cl ZINC000866668528 622154664 /nfs/dbraw/zinc/15/46/64/622154664.db2.gz GKMMLYOVZUAPCK-OAHLLOKOSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705019 622158270 /nfs/dbraw/zinc/15/82/70/622158270.db2.gz RUWNDOPQJBEUGZ-BEFAXECRSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705019 622158273 /nfs/dbraw/zinc/15/82/73/622158273.db2.gz RUWNDOPQJBEUGZ-BEFAXECRSA-N 2 1 317.477 3.019 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000866706123 622158966 /nfs/dbraw/zinc/15/89/66/622158966.db2.gz MHCVCHSKCCVIBZ-LJQANCHMSA-N 2 1 312.461 3.069 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000866706123 622158967 /nfs/dbraw/zinc/15/89/67/622158967.db2.gz MHCVCHSKCCVIBZ-LJQANCHMSA-N 2 1 312.461 3.069 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000765486402 622267416 /nfs/dbraw/zinc/26/74/16/622267416.db2.gz YYQKJRVXHGJTNX-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000765486402 622267419 /nfs/dbraw/zinc/26/74/19/622267419.db2.gz YYQKJRVXHGJTNX-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP COc1ccc2c(NCCNc3cccc(C)[nH+]3)cc[nH+]c2c1 ZINC000765502895 622269044 /nfs/dbraw/zinc/26/90/44/622269044.db2.gz HUAGCHDZLLTZDU-UHFFFAOYSA-N 2 1 308.385 3.471 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765792173 622287292 /nfs/dbraw/zinc/28/72/92/622287292.db2.gz PHIHKLYJWWDQBO-ZCNNSNEGSA-N 2 1 316.489 3.097 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765792173 622287293 /nfs/dbraw/zinc/28/72/93/622287293.db2.gz PHIHKLYJWWDQBO-ZCNNSNEGSA-N 2 1 316.489 3.097 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000766137198 622308665 /nfs/dbraw/zinc/30/86/65/622308665.db2.gz FBWMRKLMNJPHDX-FHLIZLRMSA-N 2 1 320.477 3.254 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000766137199 622308795 /nfs/dbraw/zinc/30/87/95/622308795.db2.gz FBWMRKLMNJPHDX-JCGIZDLHSA-N 2 1 320.477 3.254 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(-c2ccccc2)c1 ZINC000766478818 622333035 /nfs/dbraw/zinc/33/30/35/622333035.db2.gz KZUHFCWPUUBDTN-VDZJLULYSA-N 2 1 312.461 3.396 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](C)C1 ZINC000766514531 622335865 /nfs/dbraw/zinc/33/58/65/622335865.db2.gz YKZQSBGZHYEOCT-MKCYZYCBSA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](C)C1 ZINC000766514531 622335866 /nfs/dbraw/zinc/33/58/66/622335866.db2.gz YKZQSBGZHYEOCT-MKCYZYCBSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767416975 622397117 /nfs/dbraw/zinc/39/71/17/622397117.db2.gz FSNMSSWKLIOAEN-MRXNPFEDSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2cc1C ZINC000768503882 622460564 /nfs/dbraw/zinc/46/05/64/622460564.db2.gz TZNWYMBYQCLNBD-AEFFLSMTSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2cc1C ZINC000768503882 622460566 /nfs/dbraw/zinc/46/05/66/622460566.db2.gz TZNWYMBYQCLNBD-AEFFLSMTSA-N 2 1 312.461 3.027 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769404806 622525259 /nfs/dbraw/zinc/52/52/59/622525259.db2.gz QGWGLSCUPUGRIT-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769404806 622525261 /nfs/dbraw/zinc/52/52/61/622525261.db2.gz QGWGLSCUPUGRIT-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1COC2 ZINC000769467518 622530071 /nfs/dbraw/zinc/53/00/71/622530071.db2.gz XKHKKAGFCXCFAZ-IBGZPJMESA-N 2 1 300.446 3.167 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1COC2 ZINC000769467518 622530072 /nfs/dbraw/zinc/53/00/72/622530072.db2.gz XKHKKAGFCXCFAZ-IBGZPJMESA-N 2 1 300.446 3.167 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000771176655 622723394 /nfs/dbraw/zinc/72/33/94/622723394.db2.gz IVSAXOPWDCIUAN-AWEZNQCLSA-N 2 1 304.825 3.297 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026367 622760203 /nfs/dbraw/zinc/76/02/03/622760203.db2.gz DYLGAMOCKONWHB-MHORFTMASA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026367 622760207 /nfs/dbraw/zinc/76/02/07/622760207.db2.gz DYLGAMOCKONWHB-MHORFTMASA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037281 622766839 /nfs/dbraw/zinc/76/68/39/622766839.db2.gz AGOALMZXCRQJGF-MNEFBYGVSA-N 2 1 322.468 3.234 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037281 622766842 /nfs/dbraw/zinc/76/68/42/622766842.db2.gz AGOALMZXCRQJGF-MNEFBYGVSA-N 2 1 322.468 3.234 20 0 DGADMP C1CCC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000872085491 622795999 /nfs/dbraw/zinc/79/59/99/622795999.db2.gz NYGLQVLCOFTFEQ-DLBZAZTESA-N 2 1 306.494 3.475 20 0 DGADMP C1CCC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000872085491 622796003 /nfs/dbraw/zinc/79/60/03/622796003.db2.gz NYGLQVLCOFTFEQ-DLBZAZTESA-N 2 1 306.494 3.475 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1ccc(Cl)cc1 ZINC000872155025 622834462 /nfs/dbraw/zinc/83/44/62/622834462.db2.gz KHHKFUBEDFKVPQ-UHFFFAOYSA-N 2 1 311.857 3.120 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)C[C@H]1C(F)(F)F ZINC000872151298 622835489 /nfs/dbraw/zinc/83/54/89/622835489.db2.gz VBBDCLARSKIRCR-DLBZAZTESA-N 2 1 322.374 3.451 20 0 DGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])cc1C ZINC000872154960 622835679 /nfs/dbraw/zinc/83/56/79/622835679.db2.gz HHFHXBAQRUUIHN-MRXNPFEDSA-N 2 1 305.466 3.081 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155426 622835995 /nfs/dbraw/zinc/83/59/95/622835995.db2.gz RKGCQHPNURJTMZ-UHFFFAOYSA-N 2 1 311.857 3.038 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1csc(-c2ccccn2)n1 ZINC000872155323 622836606 /nfs/dbraw/zinc/83/66/06/622836606.db2.gz IAVRBOKJAVTWGL-UHFFFAOYSA-N 2 1 304.463 3.156 20 0 DGADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156281 622836903 /nfs/dbraw/zinc/83/69/03/622836903.db2.gz HHIJXJBNWCFJBL-DZKIICNBSA-N 2 1 320.481 3.313 20 0 DGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155387 622836973 /nfs/dbraw/zinc/83/69/73/622836973.db2.gz MHIJZJXALBHNCL-INIZCTEOSA-N 2 1 305.466 3.081 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)oc1C ZINC000872156127 622837532 /nfs/dbraw/zinc/83/75/32/622837532.db2.gz FDLJTQUEMMBDDY-DOTOQJQBSA-N 2 1 305.466 3.411 20 0 DGADMP CCCc1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156408 622838087 /nfs/dbraw/zinc/83/80/87/622838087.db2.gz JDKZUMJEPJHCQR-HOCLYGCPSA-N 2 1 320.481 3.142 20 0 DGADMP CCCc1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156408 622838093 /nfs/dbraw/zinc/83/80/93/622838093.db2.gz JDKZUMJEPJHCQR-HOCLYGCPSA-N 2 1 320.481 3.142 20 0 DGADMP CCc1cnc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872158263 622840476 /nfs/dbraw/zinc/84/04/76/622840476.db2.gz UMTAEADCWUBEJB-PBHICJAKSA-N 2 1 305.466 3.357 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000872724827 622960590 /nfs/dbraw/zinc/96/05/90/622960590.db2.gz YDEXLGAZJQYVJW-GOEBONIOSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000872724827 622960594 /nfs/dbraw/zinc/96/05/94/622960594.db2.gz YDEXLGAZJQYVJW-GOEBONIOSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000872724827 622960598 /nfs/dbraw/zinc/96/05/98/622960598.db2.gz YDEXLGAZJQYVJW-GOEBONIOSA-N 2 1 313.470 3.354 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)C2CC2)CC1)CC(C)C ZINC000773736069 623065501 /nfs/dbraw/zinc/06/55/01/623065501.db2.gz UNJMCPMLOKSTRX-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(s2)CC[NH2+]C3)no1 ZINC000873202981 623073675 /nfs/dbraw/zinc/07/36/75/623073675.db2.gz KUXYINWYMIHJOI-HNNXBMFYSA-N 2 1 303.431 3.027 20 0 DGADMP Cc1cc([C@@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)no1 ZINC000873202981 623073678 /nfs/dbraw/zinc/07/36/78/623073678.db2.gz KUXYINWYMIHJOI-HNNXBMFYSA-N 2 1 303.431 3.027 20 0 DGADMP C[N@@H+](CCCOc1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203276 623073700 /nfs/dbraw/zinc/07/37/00/623073700.db2.gz WGJPPWBJRLFJID-UHFFFAOYSA-N 2 1 316.470 3.295 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000873225555 623080866 /nfs/dbraw/zinc/08/08/66/623080866.db2.gz SSFDUYBOQZGYEG-LPHOPBHVSA-N 2 1 302.462 3.264 20 0 DGADMP Cc1ccc2cc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2n1 ZINC000873227539 623082925 /nfs/dbraw/zinc/08/29/25/623082925.db2.gz JBTCBJRLAKNNJD-GJZGRUSLSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2n1 ZINC000873227539 623082931 /nfs/dbraw/zinc/08/29/31/623082931.db2.gz JBTCBJRLAKNNJD-GJZGRUSLSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231629 623084425 /nfs/dbraw/zinc/08/44/25/623084425.db2.gz TVRDIHDFQLGDJR-APWZRJJASA-N 2 1 318.509 3.157 20 0 DGADMP CCn1ccnc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231958 623084545 /nfs/dbraw/zinc/08/45/45/623084545.db2.gz HIEQPUDIAWWZKL-RDJZCZTQSA-N 2 1 304.482 3.023 20 0 DGADMP C[C@@H](NCCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000873242207 623088859 /nfs/dbraw/zinc/08/88/59/623088859.db2.gz NGOFDDDQURSZFA-XLIONFOSSA-N 2 1 315.505 3.019 20 0 DGADMP Fc1ccc2c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)noc2c1 ZINC000873274651 623101019 /nfs/dbraw/zinc/10/10/19/623101019.db2.gz FMDSUIGFXFHDOX-FVQBIDKESA-N 2 1 317.408 3.367 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642888 623170215 /nfs/dbraw/zinc/17/02/15/623170215.db2.gz QAUANGCCOLIARR-MAUKXSAKSA-N 2 1 322.880 3.037 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642888 623170218 /nfs/dbraw/zinc/17/02/18/623170218.db2.gz QAUANGCCOLIARR-MAUKXSAKSA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642888 623170220 /nfs/dbraw/zinc/17/02/20/623170220.db2.gz QAUANGCCOLIARR-MAUKXSAKSA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642888 623170224 /nfs/dbraw/zinc/17/02/24/623170224.db2.gz QAUANGCCOLIARR-MAUKXSAKSA-N 2 1 322.880 3.037 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000774682128 623175748 /nfs/dbraw/zinc/17/57/48/623175748.db2.gz FVQJHJMJESDRTE-IAOVAPTHSA-N 2 1 310.869 3.036 20 0 DGADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000774960739 623211117 /nfs/dbraw/zinc/21/11/17/623211117.db2.gz HDRASFPIIZYMRO-ZDUSSCGKSA-N 2 1 323.278 3.331 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000774974829 623212684 /nfs/dbraw/zinc/21/26/84/623212684.db2.gz GLFQDCHBIXHNKD-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000774974829 623212686 /nfs/dbraw/zinc/21/26/86/623212686.db2.gz GLFQDCHBIXHNKD-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000774992053 623214527 /nfs/dbraw/zinc/21/45/27/623214527.db2.gz KIVSHQGSJDKCNF-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000775305792 623251286 /nfs/dbraw/zinc/25/12/86/623251286.db2.gz RPTGCHNHXBTYTJ-UHOSZYNNSA-N 2 1 306.494 3.212 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1ccccc1 ZINC000776168824 623388033 /nfs/dbraw/zinc/38/80/33/623388033.db2.gz RDUXSJPXEWKQDF-OAHLLOKOSA-N 2 1 310.445 3.093 20 0 DGADMP CCOP(=O)(CCC[NH+]1CCC([NH2+]C(C)C)CC1)OCC ZINC000876662887 623674065 /nfs/dbraw/zinc/67/40/65/623674065.db2.gz RXOAZFCIAOQYQQ-UHFFFAOYSA-N 2 1 320.414 3.105 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000876913763 623742630 /nfs/dbraw/zinc/74/26/30/623742630.db2.gz KSAKCXNNDJSRHN-QRWLVFNGSA-N 2 1 304.415 3.175 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000876916294 623743561 /nfs/dbraw/zinc/74/35/61/623743561.db2.gz QNOWHPAUVNUBKI-LKBUQDJMSA-N 2 1 315.398 3.140 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000876930089 623746930 /nfs/dbraw/zinc/74/69/30/623746930.db2.gz SAWUICNISXUQDZ-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](C[NH2+]Cc1cc2c(ccnc2Cl)o1)C[NH+]1CCCC1 ZINC000876946468 623751122 /nfs/dbraw/zinc/75/11/22/623751122.db2.gz ROUGKDHSLOMPCG-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000876963924 623756766 /nfs/dbraw/zinc/75/67/66/623756766.db2.gz LEKQTFYOMRDIJK-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000876989441 623761148 /nfs/dbraw/zinc/76/11/48/623761148.db2.gz ZCQSNLDKPBEZFG-PKOBYXMFSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779340816 623761244 /nfs/dbraw/zinc/76/12/44/623761244.db2.gz JVXGWVSYPGJPBT-BBWFWOEESA-N 2 1 304.478 3.025 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876990254 623761339 /nfs/dbraw/zinc/76/13/39/623761339.db2.gz VSYZIWNSZLDPIY-HOJAQTOUSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876990254 623761345 /nfs/dbraw/zinc/76/13/45/623761345.db2.gz VSYZIWNSZLDPIY-HOJAQTOUSA-N 2 1 316.489 3.351 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000876988835 623761486 /nfs/dbraw/zinc/76/14/86/623761486.db2.gz NIHVZGAPWQQTAX-SIFCLUCFSA-N 2 1 304.415 3.031 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000877020507 623768384 /nfs/dbraw/zinc/76/83/84/623768384.db2.gz WFZPVJFRRUZALH-ZOCZFRKYSA-N 2 1 318.442 3.419 20 0 DGADMP Nc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000877086281 623788182 /nfs/dbraw/zinc/78/81/82/623788182.db2.gz ZZFJIONABOSDAY-UHFFFAOYSA-N 2 1 307.869 3.419 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877115622 623794348 /nfs/dbraw/zinc/79/43/48/623794348.db2.gz RGPBPFZOSWSYCI-AWEZNQCLSA-N 2 1 309.885 3.380 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877115622 623794351 /nfs/dbraw/zinc/79/43/51/623794351.db2.gz RGPBPFZOSWSYCI-AWEZNQCLSA-N 2 1 309.885 3.380 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877521175 623921549 /nfs/dbraw/zinc/92/15/49/623921549.db2.gz RZMLXEASASXNHD-AVYPCKFXSA-N 2 1 304.415 3.173 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877521175 623921553 /nfs/dbraw/zinc/92/15/53/623921553.db2.gz RZMLXEASASXNHD-AVYPCKFXSA-N 2 1 304.415 3.173 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC=CO1 ZINC000780566595 623953353 /nfs/dbraw/zinc/95/33/53/623953353.db2.gz MZMJLHAULISYMA-SFHVURJKSA-N 2 1 302.462 3.427 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3(C)CCCC3)CC2)CC1 ZINC000877596079 623956894 /nfs/dbraw/zinc/95/68/94/623956894.db2.gz MXXQUADSKGSOLD-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP COCC[N@@H+](C[C@@H](C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000877664102 623982741 /nfs/dbraw/zinc/98/27/41/623982741.db2.gz HFPFMKCGWBEDPS-QGZVFWFLSA-N 2 1 304.478 3.080 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000877665610 623983664 /nfs/dbraw/zinc/98/36/64/623983664.db2.gz CGZXISKOHFBHFC-MHABSNSOSA-N 2 1 308.416 3.388 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742872 624015286 /nfs/dbraw/zinc/01/52/86/624015286.db2.gz RUKISYQNLYZUNH-RISCZKNCSA-N 2 1 321.877 3.476 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742872 624015292 /nfs/dbraw/zinc/01/52/92/624015292.db2.gz RUKISYQNLYZUNH-RISCZKNCSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742872 624015293 /nfs/dbraw/zinc/01/52/93/624015293.db2.gz RUKISYQNLYZUNH-RISCZKNCSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742872 624015301 /nfs/dbraw/zinc/01/53/01/624015301.db2.gz RUKISYQNLYZUNH-RISCZKNCSA-N 2 1 321.877 3.476 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743269 624016728 /nfs/dbraw/zinc/01/67/28/624016728.db2.gz UZDGNKIVPMMIGJ-YUQIZHSSSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743269 624016731 /nfs/dbraw/zinc/01/67/31/624016731.db2.gz UZDGNKIVPMMIGJ-YUQIZHSSSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743269 624016732 /nfs/dbraw/zinc/01/67/32/624016732.db2.gz UZDGNKIVPMMIGJ-YUQIZHSSSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743269 624016735 /nfs/dbraw/zinc/01/67/35/624016735.db2.gz UZDGNKIVPMMIGJ-YUQIZHSSSA-N 2 1 314.473 3.262 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743026 624017042 /nfs/dbraw/zinc/01/70/42/624017042.db2.gz HXKZNTFXBQAGPI-WOJBJXKFSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743026 624017047 /nfs/dbraw/zinc/01/70/47/624017047.db2.gz HXKZNTFXBQAGPI-WOJBJXKFSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743026 624017051 /nfs/dbraw/zinc/01/70/51/624017051.db2.gz HXKZNTFXBQAGPI-WOJBJXKFSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743026 624017056 /nfs/dbraw/zinc/01/70/56/624017056.db2.gz HXKZNTFXBQAGPI-WOJBJXKFSA-N 2 1 307.441 3.275 20 0 DGADMP CC(C)C[N@H+](Cc1cnc(C2CC2)o1)CC1CC[NH+](C)CC1 ZINC000877767549 624028589 /nfs/dbraw/zinc/02/85/89/624028589.db2.gz NBXOPTITWMXHID-UHFFFAOYSA-N 2 1 305.466 3.352 20 0 DGADMP CC(C)C[N@H+](Cc1cc(F)ncc1F)CC1CC[NH+](C)CC1 ZINC000877767538 624028701 /nfs/dbraw/zinc/02/87/01/624028701.db2.gz MMAMBEGKFLMKFM-UHFFFAOYSA-N 2 1 311.420 3.160 20 0 DGADMP COc1cc(C)nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000877767819 624028808 /nfs/dbraw/zinc/02/88/08/624028808.db2.gz WNMSSOAXPGMKSX-UHFFFAOYSA-N 2 1 319.493 3.198 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877778213 624033441 /nfs/dbraw/zinc/03/34/41/624033441.db2.gz KDWOSCVVHHBMKU-NFBUACBFSA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877778213 624033445 /nfs/dbraw/zinc/03/34/45/624033445.db2.gz KDWOSCVVHHBMKU-NFBUACBFSA-N 2 1 316.489 3.494 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000877976942 624121639 /nfs/dbraw/zinc/12/16/39/624121639.db2.gz SDMMIRKHHIFTSG-UHFFFAOYSA-N 2 1 319.493 3.497 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000877976942 624121641 /nfs/dbraw/zinc/12/16/41/624121641.db2.gz SDMMIRKHHIFTSG-UHFFFAOYSA-N 2 1 319.493 3.497 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157380 624193456 /nfs/dbraw/zinc/19/34/56/624193456.db2.gz ZTDOSIMHNAVUCW-IRXDYDNUSA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157380 624193459 /nfs/dbraw/zinc/19/34/59/624193459.db2.gz ZTDOSIMHNAVUCW-IRXDYDNUSA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157380 624193462 /nfs/dbraw/zinc/19/34/62/624193462.db2.gz ZTDOSIMHNAVUCW-IRXDYDNUSA-N 2 1 308.510 3.244 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000878194276 624209966 /nfs/dbraw/zinc/20/99/66/624209966.db2.gz FHPRRKXEOCMVNL-YTQUADARSA-N 2 1 308.510 3.388 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000878328250 624246102 /nfs/dbraw/zinc/24/61/02/624246102.db2.gz FTZVHIIVKWIZMH-UHFFFAOYSA-N 2 1 301.887 3.350 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878410793 624271174 /nfs/dbraw/zinc/27/11/74/624271174.db2.gz BNVHZILGGCCJCY-QAGGRKNESA-N 2 1 306.494 3.187 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782755794 624280038 /nfs/dbraw/zinc/28/00/38/624280038.db2.gz AOHVEWRVRSJEHX-PXNSSMCTSA-N 2 1 316.489 3.476 20 0 DGADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)cc1 ZINC000782759576 624281056 /nfs/dbraw/zinc/28/10/56/624281056.db2.gz ZZWDWDMPVVXKCY-HXUWFJFHSA-N 2 1 314.473 3.371 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782775525 624281928 /nfs/dbraw/zinc/28/19/28/624281928.db2.gz VJBVQVIGURSZDS-LJQANCHMSA-N 2 1 300.446 3.006 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652230 624331919 /nfs/dbraw/zinc/33/19/19/624331919.db2.gz NHOXIVJFLTWRPY-AQNXPRMDSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652230 624331920 /nfs/dbraw/zinc/33/19/20/624331920.db2.gz NHOXIVJFLTWRPY-AQNXPRMDSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652230 624331921 /nfs/dbraw/zinc/33/19/21/624331921.db2.gz NHOXIVJFLTWRPY-AQNXPRMDSA-N 2 1 314.473 3.324 20 0 DGADMP Cc1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000878748499 624353052 /nfs/dbraw/zinc/35/30/52/624353052.db2.gz WHGKXMXYHHFKNL-UHFFFAOYSA-N 2 1 316.836 3.151 20 0 DGADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000878748499 624353055 /nfs/dbraw/zinc/35/30/55/624353055.db2.gz WHGKXMXYHHFKNL-UHFFFAOYSA-N 2 1 316.836 3.151 20 0 DGADMP COCC[N@@H+](CC[C@H]1CCCC1(F)F)CC1CC[NH+](C)CC1 ZINC000879125392 624432787 /nfs/dbraw/zinc/43/27/87/624432787.db2.gz BFKGALBGFLTZRW-MRXNPFEDSA-N 2 1 318.452 3.102 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1C ZINC000879573126 624596213 /nfs/dbraw/zinc/59/62/13/624596213.db2.gz UGNHDZCTKNIMRF-PKOBYXMFSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC000879573126 624596219 /nfs/dbraw/zinc/59/62/19/624596219.db2.gz UGNHDZCTKNIMRF-PKOBYXMFSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC000879573126 624596220 /nfs/dbraw/zinc/59/62/20/624596220.db2.gz UGNHDZCTKNIMRF-PKOBYXMFSA-N 2 1 302.462 3.098 20 0 DGADMP CC(C)C[N@H+](Cc1nc(C(C)(C)C)no1)CC1CC[NH+](C)CC1 ZINC000879702647 624645556 /nfs/dbraw/zinc/64/55/56/624645556.db2.gz TXGVGKJZUSTMMG-UHFFFAOYSA-N 2 1 322.497 3.167 20 0 DGADMP CO[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022675 624758697 /nfs/dbraw/zinc/75/86/97/624758697.db2.gz WAKUNDUILBXOQA-LWYYNNOASA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022675 624758700 /nfs/dbraw/zinc/75/87/00/624758700.db2.gz WAKUNDUILBXOQA-LWYYNNOASA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022675 624758704 /nfs/dbraw/zinc/75/87/04/624758704.db2.gz WAKUNDUILBXOQA-LWYYNNOASA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022675 624758708 /nfs/dbraw/zinc/75/87/08/624758708.db2.gz WAKUNDUILBXOQA-LWYYNNOASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260019 624874590 /nfs/dbraw/zinc/87/45/90/624874590.db2.gz MDHYMAINASASNX-HUUCEWRRSA-N 2 1 322.412 3.495 20 0 DGADMP C[C@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260019 624874592 /nfs/dbraw/zinc/87/45/92/624874592.db2.gz MDHYMAINASASNX-HUUCEWRRSA-N 2 1 322.412 3.495 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC000880260687 624874692 /nfs/dbraw/zinc/87/46/92/624874692.db2.gz RFHBDQVAFMIHEC-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260017 624874878 /nfs/dbraw/zinc/87/48/78/624874878.db2.gz MDHYMAINASASNX-CABCVRRESA-N 2 1 322.412 3.495 20 0 DGADMP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260017 624874885 /nfs/dbraw/zinc/87/48/85/624874885.db2.gz MDHYMAINASASNX-CABCVRRESA-N 2 1 322.412 3.495 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCN1c1cc[nH+]cc1 ZINC000880258069 624874969 /nfs/dbraw/zinc/87/49/69/624874969.db2.gz BUPDHABHYVFSNC-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP FC[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2)C1 ZINC000880294129 624898101 /nfs/dbraw/zinc/89/81/01/624898101.db2.gz HXNMFRBBMJWDEW-QZTJIDSGSA-N 2 1 308.416 3.269 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](CO)c1ccccc1 ZINC000880463249 624962118 /nfs/dbraw/zinc/96/21/18/624962118.db2.gz MNNUSRKEQZQVAP-SFHVURJKSA-N 2 1 301.434 3.027 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](CO)c1ccccc1 ZINC000880463249 624962120 /nfs/dbraw/zinc/96/21/20/624962120.db2.gz MNNUSRKEQZQVAP-SFHVURJKSA-N 2 1 301.434 3.027 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc2c(o1)CCCC2 ZINC000880517385 624971331 /nfs/dbraw/zinc/97/13/31/624971331.db2.gz POORLULNSYMCNJ-UHFFFAOYSA-N 2 1 305.466 3.251 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc2c(o1)CCCC2 ZINC000880517385 624971333 /nfs/dbraw/zinc/97/13/33/624971333.db2.gz POORLULNSYMCNJ-UHFFFAOYSA-N 2 1 305.466 3.251 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000880516883 624971409 /nfs/dbraw/zinc/97/14/09/624971409.db2.gz BXSKPXQWZMEEQP-GOSISDBHSA-N 2 1 308.441 3.057 20 0 DGADMP Cc1nn(C)c(Cl)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517590 624971425 /nfs/dbraw/zinc/97/14/25/624971425.db2.gz UCGZHOCSPWIPAR-UHFFFAOYSA-N 2 1 312.889 3.080 20 0 DGADMP Cc1nn(C)c(Cl)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517590 624971427 /nfs/dbraw/zinc/97/14/27/624971427.db2.gz UCGZHOCSPWIPAR-UHFFFAOYSA-N 2 1 312.889 3.080 20 0 DGADMP c1cn(C[C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc2)cn1 ZINC000880569041 624979501 /nfs/dbraw/zinc/97/95/01/624979501.db2.gz GTDDPCPHMMPKGI-LJQANCHMSA-N 2 1 312.461 3.090 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000787293229 624997278 /nfs/dbraw/zinc/99/72/78/624997278.db2.gz WNGOPZRTOZZUMG-CVEARBPZSA-N 2 1 323.444 3.364 20 0 DGADMP C[NH+]1CCC(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000788477627 625191268 /nfs/dbraw/zinc/19/12/68/625191268.db2.gz YBJPTRLGAJDECB-IBGZPJMESA-N 2 1 320.452 3.149 20 0 DGADMP C[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000791407781 625793193 /nfs/dbraw/zinc/79/31/93/625793193.db2.gz IQZFVCXSVKOSBD-INIZCTEOSA-N 2 1 323.912 3.061 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882891938 625848361 /nfs/dbraw/zinc/84/83/61/625848361.db2.gz IUTAOSWKFSWVSP-QGZVFWFLSA-N 2 1 316.489 3.361 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1sccc1Cl ZINC000883187948 625961287 /nfs/dbraw/zinc/96/12/87/625961287.db2.gz ZZFSLJZQHCKQQJ-JSGCOSHPSA-N 2 1 315.914 3.078 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@@H](C)C1 ZINC000883190180 625963016 /nfs/dbraw/zinc/96/30/16/625963016.db2.gz WZDWQENNIHFZLE-KSZLIROESA-N 2 1 308.510 3.436 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000796930878 626096728 /nfs/dbraw/zinc/09/67/28/626096728.db2.gz KRMXWYHETWGXHP-RRCSTGOVSA-N 2 1 305.491 3.291 20 0 DGADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592721 626157047 /nfs/dbraw/zinc/15/70/47/626157047.db2.gz AJQZLVUIYBRXGL-DOTOQJQBSA-N 2 1 319.880 3.492 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000798957177 626262180 /nfs/dbraw/zinc/26/21/80/626262180.db2.gz XPEWVEZXRYMEBK-UHFFFAOYSA-N 2 1 301.478 3.130 20 0 DGADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000802303208 626558441 /nfs/dbraw/zinc/55/84/41/626558441.db2.gz ZXXBNXWSTHDUJD-OALUTQOASA-N 2 1 308.510 3.434 20 0 DGADMP C([NH2+][C@@H]1CCCC2(CC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000883202593 626606885 /nfs/dbraw/zinc/60/68/85/626606885.db2.gz GIFKQESAYXPFSO-QGZVFWFLSA-N 2 1 306.494 3.334 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883215639 626611451 /nfs/dbraw/zinc/61/14/51/626611451.db2.gz CINMFTKCHOGTPY-RTBURBONSA-N 2 1 314.473 3.066 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3C=CCC3)CC2)cc1 ZINC000883238369 626619760 /nfs/dbraw/zinc/61/97/60/626619760.db2.gz ZWZFNSZPKKKCSZ-KRWDZBQOSA-N 2 1 302.437 3.388 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417674 626678120 /nfs/dbraw/zinc/67/81/20/626678120.db2.gz JCNCPBUKKORCQT-PMACEKPBSA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@@H]1C[N@H+](CCc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000883427337 626679985 /nfs/dbraw/zinc/67/99/85/626679985.db2.gz OKVVWOFVEFOBPC-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP CC[C@@H]1C[N@@H+](CCc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000883427337 626679987 /nfs/dbraw/zinc/67/99/87/626679987.db2.gz OKVVWOFVEFOBPC-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)O2)cc1 ZINC000883427939 626680012 /nfs/dbraw/zinc/68/00/12/626680012.db2.gz HHAONGXYELCNAN-HSALFYBXSA-N 2 1 314.473 3.372 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CC[C@@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434090 626681550 /nfs/dbraw/zinc/68/15/50/626681550.db2.gz GQFFWDMWPGINIA-QRQLOZEOSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000883441262 626683315 /nfs/dbraw/zinc/68/33/15/626683315.db2.gz KRZZPCSDXMZSFV-DOTOQJQBSA-N 2 1 305.466 3.411 20 0 DGADMP CC[NH+](CC)[C@@H](C(=O)OCCC[NH+]1CCCC1)c1ccccc1 ZINC000800166569 626817410 /nfs/dbraw/zinc/81/74/10/626817410.db2.gz OVYIHTAVIYDAAG-GOSISDBHSA-N 2 1 318.461 3.099 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738631 626944374 /nfs/dbraw/zinc/94/43/74/626944374.db2.gz CIFBUKSPAJHBNY-UHFFFAOYSA-N 2 1 314.477 3.466 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)nc1 ZINC000810209232 626988209 /nfs/dbraw/zinc/98/82/09/626988209.db2.gz OVOJIAAVOAQVPZ-IACUBPJLSA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)nc1 ZINC000810209232 626988211 /nfs/dbraw/zinc/98/82/11/626988211.db2.gz OVOJIAAVOAQVPZ-IACUBPJLSA-N 2 1 324.266 3.122 20 0 DGADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000885985436 627076236 /nfs/dbraw/zinc/07/62/36/627076236.db2.gz IADVVHXNDBRBFQ-OTWHNJEPSA-N 2 1 306.494 3.001 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000886033514 627089194 /nfs/dbraw/zinc/08/91/94/627089194.db2.gz VWRKJSFRFOTCNQ-IEBWSBKVSA-N 2 1 304.478 3.113 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000886033514 627089198 /nfs/dbraw/zinc/08/91/98/627089198.db2.gz VWRKJSFRFOTCNQ-IEBWSBKVSA-N 2 1 304.478 3.113 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)COCc1ccccc1 ZINC000886081605 627099833 /nfs/dbraw/zinc/09/98/33/627099833.db2.gz UKSFQGOYSGNYMC-QGZVFWFLSA-N 2 1 315.461 3.366 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)COCc1ccccc1 ZINC000886081605 627099836 /nfs/dbraw/zinc/09/98/36/627099836.db2.gz UKSFQGOYSGNYMC-QGZVFWFLSA-N 2 1 315.461 3.366 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081683 627099900 /nfs/dbraw/zinc/09/99/00/627099900.db2.gz VKPDHSZXOIROQH-NEWSRXKRSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081683 627099903 /nfs/dbraw/zinc/09/99/03/627099903.db2.gz VKPDHSZXOIROQH-NEWSRXKRSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081683 627099905 /nfs/dbraw/zinc/09/99/05/627099905.db2.gz VKPDHSZXOIROQH-NEWSRXKRSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000886104943 627105801 /nfs/dbraw/zinc/10/58/01/627105801.db2.gz OXAZVLRGOBZPLJ-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000886104943 627105804 /nfs/dbraw/zinc/10/58/04/627105804.db2.gz OXAZVLRGOBZPLJ-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000886151296 627113406 /nfs/dbraw/zinc/11/34/06/627113406.db2.gz GWTSHHLGLUNHOX-WCIQWLHISA-N 2 1 316.489 3.269 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886305740 627134047 /nfs/dbraw/zinc/13/40/47/627134047.db2.gz PJMDPNZEZOGKMS-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000886505245 627154204 /nfs/dbraw/zinc/15/42/04/627154204.db2.gz QZRIQFRARCZWHG-SCTDSRPQSA-N 2 1 320.525 3.465 20 0 DGADMP C[C@]1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCOC1 ZINC000886543343 627159641 /nfs/dbraw/zinc/15/96/41/627159641.db2.gz MYVPJZRZMBHUMU-MUGJNUQGSA-N 2 1 314.473 3.198 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886642004 627178654 /nfs/dbraw/zinc/17/86/54/627178654.db2.gz XGDJRSLCSAYDPD-VIQWUECVSA-N 2 1 307.526 3.105 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648362 627179945 /nfs/dbraw/zinc/17/99/45/627179945.db2.gz RAJRAVHLFLFYRL-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648362 627179948 /nfs/dbraw/zinc/17/99/48/627179948.db2.gz RAJRAVHLFLFYRL-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648362 627179951 /nfs/dbraw/zinc/17/99/51/627179951.db2.gz RAJRAVHLFLFYRL-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1nc(C)c(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)s1 ZINC000886666292 627184008 /nfs/dbraw/zinc/18/40/08/627184008.db2.gz QMCYHVMKKUWCOB-UHFFFAOYSA-N 2 1 304.463 3.479 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCCCCn3cccn3)CC2)[nH+]c1C ZINC000886666715 627184083 /nfs/dbraw/zinc/18/40/83/627184083.db2.gz YRTCSAKWBRFSNY-UHFFFAOYSA-N 2 1 315.465 3.273 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)[nH+]c1C ZINC000886667843 627184613 /nfs/dbraw/zinc/18/46/13/627184613.db2.gz JDDULEPWXFKSAR-QGZVFWFLSA-N 2 1 317.408 3.079 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000886692179 627192092 /nfs/dbraw/zinc/19/20/92/627192092.db2.gz UEEYYMWDDOXQQH-HNNXBMFYSA-N 2 1 318.490 3.072 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000886692179 627192096 /nfs/dbraw/zinc/19/20/96/627192096.db2.gz UEEYYMWDDOXQQH-HNNXBMFYSA-N 2 1 318.490 3.072 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886870096 627211674 /nfs/dbraw/zinc/21/16/74/627211674.db2.gz PMQDMMGZXBNCBK-FQEVSTJZSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCC1CCOCC1 ZINC000887134480 627228347 /nfs/dbraw/zinc/22/83/47/627228347.db2.gz KKGNDRXWYMFUFD-QGZVFWFLSA-N 2 1 317.477 3.189 20 0 DGADMP COC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813789839 627511577 /nfs/dbraw/zinc/51/15/77/627511577.db2.gz FKWMTGKMUFQFAC-UXDRXVOSSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790781 627512265 /nfs/dbraw/zinc/51/22/65/627512265.db2.gz XYNNYKAYFBWELJ-MNIJEXPFSA-N 2 1 314.473 3.339 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CCCC1 ZINC000924578757 627651083 /nfs/dbraw/zinc/65/10/83/627651083.db2.gz RQPNYFAJFZJABH-AEFFLSMTSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CC1)C1CCOCC1)Cc1ccccc1 ZINC000924580320 627651778 /nfs/dbraw/zinc/65/17/78/627651778.db2.gz RUHLSQVURIMLIU-FQEVSTJZSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924660146 627664075 /nfs/dbraw/zinc/66/40/75/627664075.db2.gz XECQMOTXDKESLX-HZPDHXFCSA-N 2 1 304.478 3.287 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000924687832 627667897 /nfs/dbraw/zinc/66/78/97/627667897.db2.gz QBAPKDMUYMYLPV-QYZOEREBSA-N 2 1 310.526 3.419 20 0 DGADMP C[C@@H](CN[C@@H](C)c1cccc(C[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000924718529 627672939 /nfs/dbraw/zinc/67/29/39/627672939.db2.gz ZJGLHGJWOTZEOY-IRXDYDNUSA-N 2 1 303.494 3.131 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000815445707 627673732 /nfs/dbraw/zinc/67/37/32/627673732.db2.gz GNFFUAGLPKQSBD-AEFFLSMTSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445707 627673735 /nfs/dbraw/zinc/67/37/35/627673735.db2.gz GNFFUAGLPKQSBD-AEFFLSMTSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445707 627673739 /nfs/dbraw/zinc/67/37/39/627673739.db2.gz GNFFUAGLPKQSBD-AEFFLSMTSA-N 2 1 322.493 3.201 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924754546 627676289 /nfs/dbraw/zinc/67/62/89/627676289.db2.gz UCYMUHHCFFLJDN-HOTGVXAUSA-N 2 1 304.478 3.297 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)on1 ZINC000924828902 627684717 /nfs/dbraw/zinc/68/47/17/627684717.db2.gz LWJPIZADOLRDRL-CQSZACIVSA-N 2 1 317.433 3.374 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)on1 ZINC000924828902 627684718 /nfs/dbraw/zinc/68/47/18/627684718.db2.gz LWJPIZADOLRDRL-CQSZACIVSA-N 2 1 317.433 3.374 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000815579094 627686944 /nfs/dbraw/zinc/68/69/44/627686944.db2.gz DYWDRCMPOLRXMG-ZWKOTPCHSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924950226 627696558 /nfs/dbraw/zinc/69/65/58/627696558.db2.gz IMYTXSHIZFGFDM-HUUCEWRRSA-N 2 1 315.461 3.406 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000924958826 627698135 /nfs/dbraw/zinc/69/81/35/627698135.db2.gz MKEJFVCZYPNSIC-MNNVXMFVSA-N 2 1 302.462 3.186 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000925134362 627711974 /nfs/dbraw/zinc/71/19/74/627711974.db2.gz PYOSXYYSRBERIS-OAHLLOKOSA-N 2 1 315.465 3.319 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C3CC3)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000925226161 627720712 /nfs/dbraw/zinc/72/07/12/627720712.db2.gz YAPNCLVILCLBHT-GOSISDBHSA-N 2 1 316.493 3.477 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490673 627741938 /nfs/dbraw/zinc/74/19/38/627741938.db2.gz CGCUOZINKJOFIK-BVBHFADKSA-N 2 1 315.505 3.318 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490673 627741940 /nfs/dbraw/zinc/74/19/40/627741940.db2.gz CGCUOZINKJOFIK-BVBHFADKSA-N 2 1 315.505 3.318 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509547 627744253 /nfs/dbraw/zinc/74/42/53/627744253.db2.gz PBABKJBIFHXYCB-BZSNNMDCSA-N 2 1 300.446 3.268 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925508995 627744378 /nfs/dbraw/zinc/74/43/78/627744378.db2.gz JVVUBFBIZYTELO-VAMGGRTRSA-N 2 1 315.505 3.047 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925513325 627744999 /nfs/dbraw/zinc/74/49/99/627744999.db2.gz JDQSTKWGNYNQBQ-MJGOQNOKSA-N 3 1 303.494 3.321 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925513325 627745001 /nfs/dbraw/zinc/74/50/01/627745001.db2.gz JDQSTKWGNYNQBQ-MJGOQNOKSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925513325 627745004 /nfs/dbraw/zinc/74/50/04/627745004.db2.gz JDQSTKWGNYNQBQ-MJGOQNOKSA-N 2 1 303.494 3.321 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[NH2+][C@H]3C)s2)cs1 ZINC000925522596 627747173 /nfs/dbraw/zinc/74/71/73/627747173.db2.gz HFPMQPZPDKYVCR-SMDDNHRTSA-N 2 1 321.515 3.453 20 0 DGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000925543718 627751262 /nfs/dbraw/zinc/75/12/62/627751262.db2.gz ODMZDDPKBIYIPH-YLJYHZDGSA-N 2 1 324.468 3.413 20 0 DGADMP CO[C@@H](C)c1nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000925544189 627751409 /nfs/dbraw/zinc/75/14/09/627751409.db2.gz YPGQYLQFMPITNW-BBRMVZONSA-N 2 1 319.474 3.420 20 0 DGADMP C[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000925546307 627751968 /nfs/dbraw/zinc/75/19/68/627751968.db2.gz NPUHBBIOICGWTH-ZAWLATJESA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCCC[C@H]1C ZINC000925546307 627751971 /nfs/dbraw/zinc/75/19/71/627751971.db2.gz NPUHBBIOICGWTH-ZAWLATJESA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH3+])[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551589 627752859 /nfs/dbraw/zinc/75/28/59/627752859.db2.gz BWKKHELANWMHJK-ZIFCJYIRSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551589 627752863 /nfs/dbraw/zinc/75/28/63/627752863.db2.gz BWKKHELANWMHJK-ZIFCJYIRSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551589 627752865 /nfs/dbraw/zinc/75/28/65/627752865.db2.gz BWKKHELANWMHJK-ZIFCJYIRSA-N 2 1 303.494 3.177 20 0 DGADMP CC(C)(C)c1nnc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000925580579 627757928 /nfs/dbraw/zinc/75/79/28/627757928.db2.gz NEEWHXJJMNJWGX-AWEZNQCLSA-N 2 1 318.490 3.405 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925687954 627776465 /nfs/dbraw/zinc/77/64/65/627776465.db2.gz CXVARUBVWOLUDR-GALXQHASSA-N 2 1 310.441 3.477 20 0 DGADMP [NH3+]CCC[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000925696273 627778009 /nfs/dbraw/zinc/77/80/09/627778009.db2.gz JZXTWCZRNMYSAC-ZDUSSCGKSA-N 2 1 324.350 3.065 20 0 DGADMP Cc1cccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccn2)c1 ZINC000925713939 627780455 /nfs/dbraw/zinc/78/04/55/627780455.db2.gz ZJWUAELDCRYRHU-HXUWFJFHSA-N 2 1 307.441 3.331 20 0 DGADMP Cc1cccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccn2)c1 ZINC000925713939 627780457 /nfs/dbraw/zinc/78/04/57/627780457.db2.gz ZJWUAELDCRYRHU-HXUWFJFHSA-N 2 1 307.441 3.331 20 0 DGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[N@H+]1CC[C@@H](Oc3cccc(Cl)c3)C1)[NH2+]2 ZINC000925722673 627781774 /nfs/dbraw/zinc/78/17/74/627781774.db2.gz IYCOLTZFEVVSSG-MZJJYOIFSA-N 2 1 320.864 3.322 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000925736548 627785188 /nfs/dbraw/zinc/78/51/88/627785188.db2.gz BGWMUCKCVJOANO-QRVBRYPASA-N 2 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000925736548 627785189 /nfs/dbraw/zinc/78/51/89/627785189.db2.gz BGWMUCKCVJOANO-QRVBRYPASA-N 3 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000925736548 627785192 /nfs/dbraw/zinc/78/51/92/627785192.db2.gz BGWMUCKCVJOANO-QRVBRYPASA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1Br ZINC000925741860 627785723 /nfs/dbraw/zinc/78/57/23/627785723.db2.gz VKZWZOVFRVUEQC-VIFPVBQESA-N 2 1 303.219 3.366 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000925759965 627790643 /nfs/dbraw/zinc/79/06/43/627790643.db2.gz JHSPNGCAGPDZBD-OAHLLOKOSA-N 2 1 312.461 3.351 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[NH2+]CCC3(F)F)oc21 ZINC000925774999 627793246 /nfs/dbraw/zinc/79/32/46/627793246.db2.gz BPNKUTPVXYNDOX-WCQYABFASA-N 2 1 324.371 3.337 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(F)c1 ZINC000925781988 627794701 /nfs/dbraw/zinc/79/47/01/627794701.db2.gz JQIAUIFJYVQWKP-KOLCDFICSA-N 2 1 306.759 3.375 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc(C)c1F ZINC000925783466 627794862 /nfs/dbraw/zinc/79/48/62/627794862.db2.gz OVGMYXRADTUKHS-JSGCOSHPSA-N 2 1 300.368 3.338 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(C)ccc1OC ZINC000925786153 627795402 /nfs/dbraw/zinc/79/54/02/627795402.db2.gz WFCCMQQBFVWQAO-HIFRSBDPSA-N 2 1 312.404 3.289 20 0 DGADMP Cn1cnc2cc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)ccc21 ZINC000925814198 627798943 /nfs/dbraw/zinc/79/89/43/627798943.db2.gz YFJASPVWDYNQDZ-MSOLQXFVSA-N 2 1 320.440 3.156 20 0 DGADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925830237 627801445 /nfs/dbraw/zinc/80/14/45/627801445.db2.gz GHTWMLBMUCIRNV-ZNMIVQPWSA-N 2 1 319.518 3.422 20 0 DGADMP Cc1cc(F)c(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(F)c1 ZINC000925876180 627809925 /nfs/dbraw/zinc/80/99/25/627809925.db2.gz YGUJLVOAABYVOV-NSHDSACASA-N 2 1 305.372 3.286 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926573739 627916229 /nfs/dbraw/zinc/91/62/29/627916229.db2.gz PAZBAGAANZLQNH-CZUORRHYSA-N 2 1 308.853 3.233 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(Br)CC1 ZINC000926739087 627943574 /nfs/dbraw/zinc/94/35/74/627943574.db2.gz NYRQPIFIMVQQCV-OCCSQVGLSA-N 2 1 315.299 3.014 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739402 627944483 /nfs/dbraw/zinc/94/44/83/627944483.db2.gz RITNWZNEHOWFEZ-NVXWUHKLSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739402 627944487 /nfs/dbraw/zinc/94/44/87/627944487.db2.gz RITNWZNEHOWFEZ-NVXWUHKLSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)C2)CO1 ZINC000926804526 627958097 /nfs/dbraw/zinc/95/80/97/627958097.db2.gz KNBSRYNLMLQRQM-YQBZFSLMSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)C2)CO1 ZINC000926804526 627958101 /nfs/dbraw/zinc/95/81/01/627958101.db2.gz KNBSRYNLMLQRQM-YQBZFSLMSA-N 2 1 306.494 3.331 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2([C@@H](O)c3ccccc3)CC2)c2ccccc21 ZINC000817917640 627961211 /nfs/dbraw/zinc/96/12/11/627961211.db2.gz QMUSVBWYXUFHSH-QYZOEREBSA-N 2 1 308.425 3.235 20 0 DGADMP O[C@H](c1ccccc1)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000817932119 627964960 /nfs/dbraw/zinc/96/49/60/627964960.db2.gz QGVZCACZCOEKBM-SPYJTGKRSA-N 2 1 322.452 3.334 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C3CC4(C3)CCCC4)C2)[C@@H]1C(C)C ZINC000926877702 627967811 /nfs/dbraw/zinc/96/78/11/627967811.db2.gz CZMKFWAYUQDTDD-XSYGEPLQSA-N 2 1 320.521 3.169 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000926894160 627973792 /nfs/dbraw/zinc/97/37/92/627973792.db2.gz WAFBSNOVCMAZCD-VUBSUSDNSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000926894160 627973795 /nfs/dbraw/zinc/97/37/95/627973795.db2.gz WAFBSNOVCMAZCD-VUBSUSDNSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cccnc1 ZINC000926902598 627975280 /nfs/dbraw/zinc/97/52/80/627975280.db2.gz ZMGKMVIDUWEELY-HMQMGEFJSA-N 2 1 305.491 3.091 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1SC(F)F ZINC000817965882 627978071 /nfs/dbraw/zinc/97/80/71/627978071.db2.gz WJNAQRPQSZKBDL-SKDRFNHKSA-N 2 1 316.417 3.398 20 0 DGADMP Cc1cc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1C ZINC000926916332 627979578 /nfs/dbraw/zinc/97/95/78/627979578.db2.gz VSAWTBCNDBVLSK-HNNXBMFYSA-N 2 1 323.444 3.116 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000817980328 627982171 /nfs/dbraw/zinc/98/21/71/627982171.db2.gz UDEIEYYSSKBKMH-GXSJLCMTSA-N 2 1 304.406 3.398 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000817983127 627983122 /nfs/dbraw/zinc/98/31/22/627983122.db2.gz KFPSLMWCAAZLRJ-FAEJEUNOSA-N 2 1 319.468 3.001 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cnn1-c1ccccc1 ZINC000817983140 627983644 /nfs/dbraw/zinc/98/36/44/627983644.db2.gz YUVUKFFYIQWXPR-KUHUBIRLSA-N 2 1 312.461 3.349 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000926971346 627991335 /nfs/dbraw/zinc/99/13/35/627991335.db2.gz ALBDKHCWRACXQP-BBWFWOEESA-N 2 1 313.445 3.141 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000927019428 627998629 /nfs/dbraw/zinc/99/86/29/627998629.db2.gz SJAYJFXDPYCTOF-YSTOQKLRSA-N 2 1 316.489 3.323 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000927022014 627999640 /nfs/dbraw/zinc/99/96/40/627999640.db2.gz QBQJPPKYCSBLTO-YRPNKDGESA-N 2 1 316.489 3.180 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)oc21 ZINC000818431527 628022159 /nfs/dbraw/zinc/02/21/59/628022159.db2.gz OZYCIUAGZWOFIY-CQSZACIVSA-N 2 1 314.429 3.405 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000818943531 628064226 /nfs/dbraw/zinc/06/42/26/628064226.db2.gz VEYATJITZDQMLU-FQEVSTJZSA-N 2 1 312.457 3.140 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000818960276 628067912 /nfs/dbraw/zinc/06/79/12/628067912.db2.gz GNCXSMDNWSYWAX-FCEWJHQRSA-N 2 1 322.468 3.207 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000818960278 628067969 /nfs/dbraw/zinc/06/79/69/628067969.db2.gz GNCXSMDNWSYWAX-JTDSTZFVSA-N 2 1 322.468 3.207 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000818965152 628068594 /nfs/dbraw/zinc/06/85/94/628068594.db2.gz FJSIKDNYUFYVGQ-YWZLYKJASA-N 2 1 323.440 3.304 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000818984235 628072995 /nfs/dbraw/zinc/07/29/95/628072995.db2.gz BIHNIJOSFVGZKR-PBHICJAKSA-N 2 1 310.869 3.083 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000819930854 628200869 /nfs/dbraw/zinc/20/08/69/628200869.db2.gz ZAPRTTQBUWICNB-INIZCTEOSA-N 2 1 311.429 3.191 20 0 DGADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n[nH]1 ZINC000820820764 628300558 /nfs/dbraw/zinc/30/05/58/628300558.db2.gz BIEWPTAHQYDXJC-UKRRQHHQSA-N 2 1 300.450 3.062 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000820836072 628303032 /nfs/dbraw/zinc/30/30/32/628303032.db2.gz JRHXSFFNJHSJCE-CTWIWCJPSA-N 2 1 316.489 3.082 20 0 DGADMP c1ccc(COC2CC([N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000821379180 628361631 /nfs/dbraw/zinc/36/16/31/628361631.db2.gz BSCZEMSTSHTFRP-XEVCZEQESA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000824080861 628625416 /nfs/dbraw/zinc/62/54/16/628625416.db2.gz NPSUWCKVPKVKJA-UHFFFAOYSA-N 2 1 307.800 3.226 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000827856129 628997743 /nfs/dbraw/zinc/99/77/43/628997743.db2.gz LWDJYFPZNDOBAX-SFHVURJKSA-N 2 1 304.478 3.353 20 0 DGADMP Cc1cc(F)ccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000101595669 629743510 /nfs/dbraw/zinc/74/35/10/629743510.db2.gz VJSORZGJTJBGLZ-IYBDPMFKSA-N 2 1 308.441 3.113 20 0 DGADMP COCc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000840807920 630360762 /nfs/dbraw/zinc/36/07/62/630360762.db2.gz IGEDRKNIZXILIU-JKSUJKDBSA-N 2 1 320.477 3.224 20 0 DGADMP CC(C)(C)c1nc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cs1 ZINC000841031989 630399365 /nfs/dbraw/zinc/39/93/65/630399365.db2.gz FPXWYVIXMIAYGC-UHFFFAOYSA-N 2 1 303.475 3.232 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)oc21 ZINC000841090127 630406844 /nfs/dbraw/zinc/40/68/44/630406844.db2.gz WEJBAJHZPSWYDY-CQSZACIVSA-N 2 1 300.402 3.206 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccn(-c2ccccc2)n1 ZINC000842472345 630538636 /nfs/dbraw/zinc/53/86/36/630538636.db2.gz XCFYLRGTDMPBOT-UHFFFAOYSA-N 2 1 300.450 3.213 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000842471835 630538809 /nfs/dbraw/zinc/53/88/09/630538809.db2.gz CGINCNCPGNCHMR-MRXNPFEDSA-N 2 1 304.434 3.461 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000842473187 630539808 /nfs/dbraw/zinc/53/98/08/630539808.db2.gz QNCZUSRKPNBBNC-UHFFFAOYSA-N 2 1 312.461 3.140 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@H](C)C[NH2+]C)no2)cc1 ZINC000842582807 630550602 /nfs/dbraw/zinc/55/06/02/630550602.db2.gz KKUDVBSYUKGTJE-CQSZACIVSA-N 2 1 316.449 3.291 20 0 DGADMP CCCOc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1OC ZINC000843056286 630609520 /nfs/dbraw/zinc/60/95/20/630609520.db2.gz HIDMLVQBLXAYRR-UHFFFAOYSA-N 2 1 306.450 3.186 20 0 DGADMP Cc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000843055128 630609552 /nfs/dbraw/zinc/60/95/52/630609552.db2.gz SAFPMWRLASUGAR-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP Cc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)cnc1Cl ZINC000843107157 630614491 /nfs/dbraw/zinc/61/44/91/630614491.db2.gz AKBOHMVFKXVLSV-UHFFFAOYSA-N 2 1 303.837 3.394 20 0 DGADMP Cc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cnc1Cl ZINC000843107157 630614494 /nfs/dbraw/zinc/61/44/94/630614494.db2.gz AKBOHMVFKXVLSV-UHFFFAOYSA-N 2 1 303.837 3.394 20 0 DGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126964 630616281 /nfs/dbraw/zinc/61/62/81/630616281.db2.gz NMPMGZAFBXYIEI-AEFFLSMTSA-N 2 1 309.457 3.446 20 0 DGADMP CC(C)[C@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000843150996 630621340 /nfs/dbraw/zinc/62/13/40/630621340.db2.gz MAJINIIAPSRDDJ-CVEARBPZSA-N 2 1 314.433 3.105 20 0 DGADMP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843342429 630647833 /nfs/dbraw/zinc/64/78/33/630647833.db2.gz QOWBAYMQDMGVOL-MJGOQNOKSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000843342429 630647835 /nfs/dbraw/zinc/64/78/35/630647835.db2.gz QOWBAYMQDMGVOL-MJGOQNOKSA-N 2 1 303.494 3.006 20 0 DGADMP CCc1ccc2c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(=O)oc2c1 ZINC000843354507 630648685 /nfs/dbraw/zinc/64/86/85/630648685.db2.gz KASDIJDWAUICKW-QGZVFWFLSA-N 2 1 316.445 3.161 20 0 DGADMP CCc1ccc2c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(=O)oc2c1 ZINC000843354507 630648688 /nfs/dbraw/zinc/64/86/88/630648688.db2.gz KASDIJDWAUICKW-QGZVFWFLSA-N 2 1 316.445 3.161 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccn(-c2ccccc2)n1 ZINC000843357794 630649416 /nfs/dbraw/zinc/64/94/16/630649416.db2.gz XWYFJEDTMIXDNR-UHFFFAOYSA-N 2 1 312.461 3.084 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386988 630651685 /nfs/dbraw/zinc/65/16/85/630651685.db2.gz PINWXGRQTXYBRR-IHRRRGAJSA-N 2 1 305.293 3.282 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc(C[NH3+])c3)c2C1 ZINC000844180233 630711639 /nfs/dbraw/zinc/71/16/39/630711639.db2.gz PXFZFJGWHKXNQK-UHFFFAOYSA-N 2 1 309.413 3.123 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(C[NH3+])c3)c2C1 ZINC000844180233 630711640 /nfs/dbraw/zinc/71/16/40/630711640.db2.gz PXFZFJGWHKXNQK-UHFFFAOYSA-N 2 1 309.413 3.123 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCCC[NH3+])C1 ZINC000844222102 630713028 /nfs/dbraw/zinc/71/30/28/630713028.db2.gz UIIGKCJNPKFUAC-RTBURBONSA-N 2 1 309.542 3.482 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000844222102 630713029 /nfs/dbraw/zinc/71/30/29/630713029.db2.gz UIIGKCJNPKFUAC-RTBURBONSA-N 2 1 309.542 3.482 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844222102 630713030 /nfs/dbraw/zinc/71/30/30/630713030.db2.gz UIIGKCJNPKFUAC-RTBURBONSA-N 3 1 309.542 3.482 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000844913028 630978934 /nfs/dbraw/zinc/97/89/34/630978934.db2.gz XMMTUASXYFMTRV-IMJJTQAJSA-N 2 1 323.506 3.127 20 0 DGADMP CC[C@H](OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000846183187 631213754 /nfs/dbraw/zinc/21/37/54/631213754.db2.gz RCAHGTSTRIWJKX-IPQPSQTFSA-N 2 1 302.462 3.369 20 0 DGADMP CC[N@H+](CCC[NH2+][C@@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000846183137 631213789 /nfs/dbraw/zinc/21/37/89/631213789.db2.gz PKJZWHDIUOXVSN-QGZVFWFLSA-N 2 1 304.482 3.421 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000846183137 631213790 /nfs/dbraw/zinc/21/37/90/631213790.db2.gz PKJZWHDIUOXVSN-QGZVFWFLSA-N 2 1 304.482 3.421 20 0 DGADMP Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CC[NH2+]C2)c1 ZINC000846223257 631215728 /nfs/dbraw/zinc/21/57/28/631215728.db2.gz VGEACIWRLNAFFU-TZIWHRDSSA-N 2 1 324.468 3.140 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(Br)CC1 ZINC000846873175 631336672 /nfs/dbraw/zinc/33/66/72/631336672.db2.gz BKKIVYDQHBGNJC-UHFFFAOYSA-N 2 1 314.271 3.085 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(Br)CC1 ZINC000846873175 631336674 /nfs/dbraw/zinc/33/66/74/631336674.db2.gz BKKIVYDQHBGNJC-UHFFFAOYSA-N 2 1 314.271 3.085 20 0 DGADMP CC(C)c1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848547636 631688728 /nfs/dbraw/zinc/68/87/28/631688728.db2.gz RBUZNUSVVWORAK-GOSISDBHSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000848890614 631774257 /nfs/dbraw/zinc/77/42/57/631774257.db2.gz SQCJVNPARVNNDA-DFQSSKMNSA-N 2 1 316.489 3.494 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000848890616 631774808 /nfs/dbraw/zinc/77/48/08/631774808.db2.gz SQCJVNPARVNNDA-YSIASYRMSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])NC2CCC2)cc1 ZINC000848985410 631797372 /nfs/dbraw/zinc/79/73/72/631797372.db2.gz UDSHXSFVRKSKNB-OAHLLOKOSA-N 2 1 314.477 3.227 20 0 DGADMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCCC[C@@H]1C ZINC000848987229 631797793 /nfs/dbraw/zinc/79/77/93/631797793.db2.gz NIHNKIXWJZTHTJ-NWDGAFQWSA-N 2 1 310.392 3.164 20 0 DGADMP CCC[N@H+](C)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(Cl)cc1 ZINC000849052342 631819525 /nfs/dbraw/zinc/81/95/25/631819525.db2.gz ULAOIJIIWNZCDO-INIZCTEOSA-N 2 1 322.884 3.341 20 0 DGADMP CCC[N@@H+](C)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(Cl)cc1 ZINC000849052342 631819529 /nfs/dbraw/zinc/81/95/29/631819529.db2.gz ULAOIJIIWNZCDO-INIZCTEOSA-N 2 1 322.884 3.341 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCc2ccc(C)cc2)c1 ZINC000849067452 631825274 /nfs/dbraw/zinc/82/52/74/631825274.db2.gz FROCCKXSIWXEPQ-UHFFFAOYSA-N 2 1 324.472 3.261 20 0 DGADMP CCCCCCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000849071329 631826119 /nfs/dbraw/zinc/82/61/19/631826119.db2.gz IAWBMXXNCHRJNS-QGZVFWFLSA-N 2 1 304.482 3.292 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+](C)CCOC)cc1 ZINC000849070862 631826215 /nfs/dbraw/zinc/82/62/15/631826215.db2.gz JTANPSYFSZJVIM-OAHLLOKOSA-N 2 1 320.481 3.105 20 0 DGADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CCCCC1 ZINC000849105971 631837157 /nfs/dbraw/zinc/83/71/57/631837157.db2.gz LPJZMSUMQTYNHW-KRWDZBQOSA-N 2 1 306.498 3.230 20 0 DGADMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000849105866 631837294 /nfs/dbraw/zinc/83/72/94/631837294.db2.gz GKKXFCMGGYDCLK-QGZVFWFLSA-N 2 1 306.498 3.040 20 0 DGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000850435399 632151889 /nfs/dbraw/zinc/15/18/89/632151889.db2.gz NEMXJZJGELMMRH-MHORFTMASA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850506924 632174332 /nfs/dbraw/zinc/17/43/32/632174332.db2.gz CPTQANYMDZWDDA-CRAIPNDOSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851774689 632488647 /nfs/dbraw/zinc/48/86/47/632488647.db2.gz ZNMHAKYQKHTMJG-KURKYZTESA-N 2 1 324.509 3.114 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851774689 632488651 /nfs/dbraw/zinc/48/86/51/632488651.db2.gz ZNMHAKYQKHTMJG-KURKYZTESA-N 2 1 324.509 3.114 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108639 632556403 /nfs/dbraw/zinc/55/64/03/632556403.db2.gz JHFHVERWQFSWEW-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108639 632556407 /nfs/dbraw/zinc/55/64/07/632556407.db2.gz JHFHVERWQFSWEW-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108639 632556409 /nfs/dbraw/zinc/55/64/09/632556409.db2.gz JHFHVERWQFSWEW-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852108639 632556411 /nfs/dbraw/zinc/55/64/11/632556411.db2.gz JHFHVERWQFSWEW-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000723670516 655715304 /nfs/dbraw/zinc/71/53/04/655715304.db2.gz UAHFAOABOXFNOC-MRVPVSSYSA-N 2 1 323.687 3.335 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000723670516 655715305 /nfs/dbraw/zinc/71/53/05/655715305.db2.gz UAHFAOABOXFNOC-MRVPVSSYSA-N 2 1 323.687 3.335 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C)nnc2C)CC1 ZINC000929297158 661295238 /nfs/dbraw/zinc/29/52/38/661295238.db2.gz OLJDGGYLKYDMGZ-UHFFFAOYSA-N 2 1 304.482 3.037 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000793548872 661044785 /nfs/dbraw/zinc/04/47/85/661044785.db2.gz AWTYYLWEBYOAAG-JYJNAYRXSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000793548872 661044786 /nfs/dbraw/zinc/04/47/86/661044786.db2.gz AWTYYLWEBYOAAG-JYJNAYRXSA-N 2 1 304.482 3.032 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cn3ccc(=S)c4ccccc43)C2)C1 ZINC000793771035 661056610 /nfs/dbraw/zinc/05/66/10/661056610.db2.gz XTMPVFOPVPTSTO-SFHVURJKSA-N 2 1 313.470 3.356 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cn3ccc(=S)c4ccccc43)C2)C1 ZINC000793771035 661056611 /nfs/dbraw/zinc/05/66/11/661056611.db2.gz XTMPVFOPVPTSTO-SFHVURJKSA-N 2 1 313.470 3.356 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cn3ccc(=S)c4ccccc43)C2)C1 ZINC000793771035 661056614 /nfs/dbraw/zinc/05/66/14/661056614.db2.gz XTMPVFOPVPTSTO-SFHVURJKSA-N 2 1 313.470 3.356 20 0 DGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401434 655706083 /nfs/dbraw/zinc/70/60/83/655706083.db2.gz WXLIATGZTWINPM-IPMKNSEASA-N 2 1 314.473 3.056 20 0 DGADMP C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCC([NH3+])CC1 ZINC000317669246 655719270 /nfs/dbraw/zinc/71/92/70/655719270.db2.gz FXUNVQWHQURKGL-UHFFFAOYSA-N 2 1 303.381 3.182 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262007866 655747701 /nfs/dbraw/zinc/74/77/01/655747701.db2.gz LZSMUAONFZKHJB-UHFFFAOYSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)C1C[NH2+]C1 ZINC000714224016 661197864 /nfs/dbraw/zinc/19/78/64/661197864.db2.gz NFFQDJDGCKYLSB-QGZVFWFLSA-N 2 1 315.505 3.019 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000715471769 661210889 /nfs/dbraw/zinc/21/08/89/661210889.db2.gz WCJNFSKQYYGPSL-UXHICEINSA-N 2 1 314.473 3.198 20 0 DGADMP Cc1cc(F)ncc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000892751046 656035512 /nfs/dbraw/zinc/03/55/12/656035512.db2.gz QZYVOSVNGNWOHC-UHFFFAOYSA-N 2 1 305.441 3.273 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cnc1F ZINC000892750977 656035734 /nfs/dbraw/zinc/03/57/34/656035734.db2.gz ORHZNRAEDMEOBY-UHFFFAOYSA-N 2 1 305.441 3.273 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310023881 656133283 /nfs/dbraw/zinc/13/32/83/656133283.db2.gz SXOMJUHRMVNPIJ-IEBWSBKVSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000310023881 656133285 /nfs/dbraw/zinc/13/32/85/656133285.db2.gz SXOMJUHRMVNPIJ-IEBWSBKVSA-N 2 1 303.494 3.006 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)[NH+]1CCCC1 ZINC000236697722 656196867 /nfs/dbraw/zinc/19/68/67/656196867.db2.gz DHTSMFSRJNPZKV-LPHOPBHVSA-N 2 1 304.478 3.423 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000162824527 656416911 /nfs/dbraw/zinc/41/69/11/656416911.db2.gz ZDEGMJQBBLCUEU-UHFFFAOYSA-N 2 1 309.417 3.035 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000162824527 656416915 /nfs/dbraw/zinc/41/69/15/656416915.db2.gz ZDEGMJQBBLCUEU-UHFFFAOYSA-N 2 1 309.417 3.035 20 0 DGADMP Clc1ccc2c(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000317777077 656675808 /nfs/dbraw/zinc/67/58/08/656675808.db2.gz RLWDRTLQRCGGLJ-UONOGXRCSA-N 2 1 317.820 3.163 20 0 DGADMP Clc1ccc2c(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000317777077 656675810 /nfs/dbraw/zinc/67/58/10/656675810.db2.gz RLWDRTLQRCGGLJ-UONOGXRCSA-N 2 1 317.820 3.163 20 0 DGADMP c1csc(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000932204880 656965086 /nfs/dbraw/zinc/96/50/86/656965086.db2.gz SVLBKHPRVVXSJN-MRXNPFEDSA-N 2 1 307.507 3.274 20 0 DGADMP c1csc(C[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000932204880 656965092 /nfs/dbraw/zinc/96/50/92/656965092.db2.gz SVLBKHPRVVXSJN-MRXNPFEDSA-N 2 1 307.507 3.274 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1c1ccccc1 ZINC000261732819 657057352 /nfs/dbraw/zinc/05/73/52/657057352.db2.gz OLDKIBUQUFKMSZ-CABCVRRESA-N 2 1 302.368 3.139 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1c1ccccc1 ZINC000261732819 657057357 /nfs/dbraw/zinc/05/73/57/657057357.db2.gz OLDKIBUQUFKMSZ-CABCVRRESA-N 2 1 302.368 3.139 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000261736755 657061285 /nfs/dbraw/zinc/06/12/85/657061285.db2.gz LPUNDYTVESAKNI-ZDUSSCGKSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000261736755 657061289 /nfs/dbraw/zinc/06/12/89/657061289.db2.gz LPUNDYTVESAKNI-ZDUSSCGKSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3ccccc3o2)C[C@H](C)O1 ZINC000067452800 657391094 /nfs/dbraw/zinc/39/10/94/657391094.db2.gz BVRHGMVCYZCVMU-IYBDPMFKSA-N 2 1 316.445 3.412 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000262418045 657554049 /nfs/dbraw/zinc/55/40/49/657554049.db2.gz DSSUFVQWFXPAPI-UAGQMJEPSA-N 2 1 313.470 3.288 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000262418045 657554055 /nfs/dbraw/zinc/55/40/55/657554055.db2.gz DSSUFVQWFXPAPI-UAGQMJEPSA-N 2 1 313.470 3.288 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2s1 ZINC000305297348 657703852 /nfs/dbraw/zinc/70/38/52/657703852.db2.gz GVBRGYFKWIRUFE-OWCLPIDISA-N 2 1 316.470 3.151 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2s1 ZINC000305297348 657703859 /nfs/dbraw/zinc/70/38/59/657703859.db2.gz GVBRGYFKWIRUFE-OWCLPIDISA-N 2 1 316.470 3.151 20 0 DGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964014841 658259184 /nfs/dbraw/zinc/25/91/84/658259184.db2.gz DZJJDQHNGVXOOS-ABHNRTSZSA-N 2 1 323.525 3.017 20 0 DGADMP S=c1ncccn1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179248041 658389403 /nfs/dbraw/zinc/38/94/03/658389403.db2.gz UIYASNVULJLZIA-UHFFFAOYSA-N 2 1 320.506 3.158 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000228538130 659195167 /nfs/dbraw/zinc/19/51/67/659195167.db2.gz YBMWVEFFBBGBJP-JGGQBBKZSA-N 2 1 323.278 3.317 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000071142201 660107632 /nfs/dbraw/zinc/10/76/32/660107632.db2.gz BJJFONNPABUGBS-GFCCVEGCSA-N 2 1 304.381 3.340 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000071142201 660107633 /nfs/dbraw/zinc/10/76/33/660107633.db2.gz BJJFONNPABUGBS-GFCCVEGCSA-N 2 1 304.381 3.340 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000929808064 661340437 /nfs/dbraw/zinc/34/04/37/661340437.db2.gz REZBVSKWVRFZCV-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000929808064 661340439 /nfs/dbraw/zinc/34/04/39/661340439.db2.gz REZBVSKWVRFZCV-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808064 661340442 /nfs/dbraw/zinc/34/04/42/661340442.db2.gz REZBVSKWVRFZCV-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808064 661340444 /nfs/dbraw/zinc/34/04/44/661340444.db2.gz REZBVSKWVRFZCV-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848712 661344562 /nfs/dbraw/zinc/34/45/62/661344562.db2.gz UBCFNJKSEFIIPU-AEFFLSMTSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848712 661344564 /nfs/dbraw/zinc/34/45/64/661344564.db2.gz UBCFNJKSEFIIPU-AEFFLSMTSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848712 661344566 /nfs/dbraw/zinc/34/45/66/661344566.db2.gz UBCFNJKSEFIIPU-AEFFLSMTSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848712 661344567 /nfs/dbraw/zinc/34/45/67/661344567.db2.gz UBCFNJKSEFIIPU-AEFFLSMTSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848712 661344570 /nfs/dbraw/zinc/34/45/70/661344570.db2.gz UBCFNJKSEFIIPU-AEFFLSMTSA-N 2 1 311.429 3.258 20 0 DGADMP CCc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000930265000 661383468 /nfs/dbraw/zinc/38/34/68/661383468.db2.gz BXCRYFSFDFRJOO-UHFFFAOYSA-N 2 1 314.433 3.149 20 0 DGADMP C[N@H+]1CCC[C@]2(CCN(Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577610 661412462 /nfs/dbraw/zinc/41/24/62/661412462.db2.gz URIWWLHOYNHGCF-IBGZPJMESA-N 2 1 311.429 3.259 20 0 DGADMP CCCC[N@@H+](CCc1cnccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033267 661447154 /nfs/dbraw/zinc/44/71/54/661447154.db2.gz GPHGLUHFLKRVGA-UHFFFAOYSA-N 2 1 318.509 3.430 20 0 DGADMP Cc1ccccc1OCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305104 661465374 /nfs/dbraw/zinc/46/53/74/661465374.db2.gz AHMUHFLYVONDAE-OALUTQOASA-N 2 1 302.462 3.038 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC000931313315 661466120 /nfs/dbraw/zinc/46/61/20/661466120.db2.gz AJLNXCUAGIBOEI-VNTMZGSJSA-N 2 1 314.473 3.180 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)C[C@@H]2C1 ZINC000931434596 661476265 /nfs/dbraw/zinc/47/62/65/661476265.db2.gz WPHFYHYEPZBBTO-ZBFHGGJFSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)C[C@@H]2C1 ZINC000931434596 661476266 /nfs/dbraw/zinc/47/62/66/661476266.db2.gz WPHFYHYEPZBBTO-ZBFHGGJFSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@@H]2C1 ZINC000931434596 661476269 /nfs/dbraw/zinc/47/62/69/661476269.db2.gz WPHFYHYEPZBBTO-ZBFHGGJFSA-N 2 1 315.848 3.272 20 0 DGADMP CC(C)[C@H](O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933549531 661640407 /nfs/dbraw/zinc/64/04/07/661640407.db2.gz GVQIVGXXCZEVHR-LJQANCHMSA-N 2 1 316.489 3.090 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)[nH]1 ZINC000933926654 661666805 /nfs/dbraw/zinc/66/68/05/661666805.db2.gz GQSOBAHHXOIOIH-HNNXBMFYSA-N 2 1 303.381 3.209 20 0 DGADMP C[C@@H]1CSCCC[NH+]1C/C=C/C[N@@H+]1CCCSC[C@@H]1C ZINC000934296466 661694221 /nfs/dbraw/zinc/69/42/21/661694221.db2.gz IEKYSJJIGPFIJK-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CSCCC[N@H+]1C/C=C/C[NH+]1CCCSC[C@@H]1C ZINC000934296466 661694223 /nfs/dbraw/zinc/69/42/23/661694223.db2.gz IEKYSJJIGPFIJK-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CSCCC[N@@H+]1C/C=C/C[NH+]1CCCSC[C@@H]1C ZINC000934296466 661694225 /nfs/dbraw/zinc/69/42/25/661694225.db2.gz IEKYSJJIGPFIJK-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2)cc1 ZINC000247090989 662299659 /nfs/dbraw/zinc/29/96/59/662299659.db2.gz XJPFNUWSYWVSRA-AZUAARDMSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2)cc1 ZINC000247090989 662299661 /nfs/dbraw/zinc/29/96/61/662299661.db2.gz XJPFNUWSYWVSRA-AZUAARDMSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2)cc1 ZINC000247090989 662299662 /nfs/dbraw/zinc/29/96/62/662299662.db2.gz XJPFNUWSYWVSRA-AZUAARDMSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2)cc1 ZINC000247090989 662299664 /nfs/dbraw/zinc/29/96/64/662299664.db2.gz XJPFNUWSYWVSRA-AZUAARDMSA-N 2 1 324.472 3.232 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1=Cc2ccccc2OC1 ZINC000093660062 662358316 /nfs/dbraw/zinc/35/83/16/662358316.db2.gz MQNYLCOVHXHYRI-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1=Cc2ccccc2OC1 ZINC000093660062 662358318 /nfs/dbraw/zinc/35/83/18/662358318.db2.gz MQNYLCOVHXHYRI-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1=Cc2ccccc2OC1 ZINC000093660062 662358320 /nfs/dbraw/zinc/35/83/20/662358320.db2.gz MQNYLCOVHXHYRI-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1=Cc2ccccc2OC1 ZINC000093660062 662358323 /nfs/dbraw/zinc/35/83/23/662358323.db2.gz MQNYLCOVHXHYRI-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380911953 685154190 /nfs/dbraw/zinc/15/41/90/685154190.db2.gz NAPYONHWOLRKBH-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118885 685234766 /nfs/dbraw/zinc/23/47/66/685234766.db2.gz GPGRYOGXQBPSDU-KBXCAEBGSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118885 685234769 /nfs/dbraw/zinc/23/47/69/685234769.db2.gz GPGRYOGXQBPSDU-KBXCAEBGSA-N 2 1 315.486 3.452 20 0 DGADMP C[C@]1(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CCC[NH2+]C1 ZINC001576502628 1191830714 /nfs/dbraw/zinc/83/07/14/1191830714.db2.gz DBVSJTHQRMIULT-SCTDSRPQSA-N 2 1 320.477 3.337 20 0 DGADMP C[C@]1(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CCC[NH2+]C1 ZINC001576502425 1191831496 /nfs/dbraw/zinc/83/14/96/1191831496.db2.gz DBVSJTHQRMIULT-AOIWGVFYSA-N 2 1 320.477 3.337 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597303 1191850890 /nfs/dbraw/zinc/85/08/90/1191850890.db2.gz FIGKWJHJAZAVSE-BRWVUGGUSA-N 2 1 318.509 3.206 20 0 DGADMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC1C[NH2+]C1 ZINC001576623694 1191855141 /nfs/dbraw/zinc/85/51/41/1191855141.db2.gz MEFVMPPZKYZUAP-WFASDCNBSA-N 2 1 323.278 3.236 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)[C@@H]1CC[NH3+] ZINC001576709146 1191865416 /nfs/dbraw/zinc/86/54/16/1191865416.db2.gz OHGWHYJMEFGGAM-XJKSGUPXSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)[C@@H]1CC[NH3+] ZINC001576709146 1191865417 /nfs/dbraw/zinc/86/54/17/1191865417.db2.gz OHGWHYJMEFGGAM-XJKSGUPXSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001576731801 1191866299 /nfs/dbraw/zinc/86/62/99/1191866299.db2.gz OYRHWFOUPNEPIF-GXTWGEPZSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001576730981 1191866359 /nfs/dbraw/zinc/86/63/59/1191866359.db2.gz BLRQKNMYVUQXNV-SWLSCSKDSA-N 2 1 300.368 3.208 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2O1 ZINC001576862698 1191871244 /nfs/dbraw/zinc/87/12/44/1191871244.db2.gz PIKNHTUSPUPZLH-BPQIPLTHSA-N 2 1 314.473 3.222 20 0 DGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576971881 1191877302 /nfs/dbraw/zinc/87/73/02/1191877302.db2.gz ROPFMLUMSZNWEW-NVXWUHKLSA-N 2 1 305.466 3.090 20 0 DGADMP CCCCC[N@@H+](CCN[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001577432624 1191901564 /nfs/dbraw/zinc/90/15/64/1191901564.db2.gz KQEVAQDXRGHSSK-IBGZPJMESA-N 2 1 303.494 3.020 20 0 DGADMP CCN(C[C@@H](C[NH3+])C(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710815 1191913556 /nfs/dbraw/zinc/91/35/56/1191913556.db2.gz BXNBHBYCHFRYNN-VQTJNVASSA-N 3 1 317.521 3.061 20 0 DGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)o1 ZINC001578255353 1191934977 /nfs/dbraw/zinc/93/49/77/1191934977.db2.gz REFGPXZBZFZBDN-UAGQMJEPSA-N 2 1 318.461 3.136 20 0 DGADMP C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C[NH3+])cc1 ZINC001578489253 1191946453 /nfs/dbraw/zinc/94/64/53/1191946453.db2.gz BZUVKLKPXVUHFW-UHFFFAOYSA-N 2 1 309.207 3.133 20 0 DGADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578485656 1191946893 /nfs/dbraw/zinc/94/68/93/1191946893.db2.gz JWSSBNUIVXGWPS-HAQNSBGRSA-N 2 1 300.368 3.301 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001579005492 1191963957 /nfs/dbraw/zinc/96/39/57/1191963957.db2.gz QLPPZNJGKGPWCR-IPMKNSEASA-N 2 1 302.462 3.086 20 0 DGADMP COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CC1(C[NH3+])CC1 ZINC001579218249 1191969295 /nfs/dbraw/zinc/96/92/95/1191969295.db2.gz ARHVKIBAZPOHMK-CQSZACIVSA-N 2 1 308.853 3.397 20 0 DGADMP COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CC1(C[NH3+])CC1 ZINC001579218249 1191969296 /nfs/dbraw/zinc/96/92/96/1191969296.db2.gz ARHVKIBAZPOHMK-CQSZACIVSA-N 2 1 308.853 3.397 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C(C)C ZINC001579306282 1191973398 /nfs/dbraw/zinc/97/33/98/1191973398.db2.gz LIVGYMHPHMRCIC-KGLIPLIRSA-N 2 1 318.383 3.132 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579307178 1191973681 /nfs/dbraw/zinc/97/36/81/1191973681.db2.gz OCRPVDLIKBDEQN-UXLLHSPISA-N 2 1 320.502 3.303 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001579307502 1191973914 /nfs/dbraw/zinc/97/39/14/1191973914.db2.gz UIIHGIGRPQAEMB-ULQDDVLXSA-N 2 1 302.462 3.250 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC001579579338 1191980381 /nfs/dbraw/zinc/98/03/81/1191980381.db2.gz FJHTYJCUUFRDTR-JKSUJKDBSA-N 2 1 314.395 3.305 20 0 DGADMP Cc1cc(NCC2CC[NH2+]CC2)c[nH+]c1N1CCCC[C@H]1C ZINC001579636252 1191983892 /nfs/dbraw/zinc/98/38/92/1191983892.db2.gz YJNMQSFKWLDNRD-OAHLLOKOSA-N 2 1 302.466 3.180 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579789795 1191993520 /nfs/dbraw/zinc/99/35/20/1191993520.db2.gz AFFQVRCZKKKMRI-IMBTUZDBSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC001579926442 1191998747 /nfs/dbraw/zinc/99/87/47/1191998747.db2.gz CFTPIWKAVGMMMC-OLZOCXBDSA-N 2 1 305.447 3.319 20 0 DGADMP [NH3+][C@H](CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccccc1 ZINC001580121207 1192008159 /nfs/dbraw/zinc/00/81/59/1192008159.db2.gz MHJWZHMGKXWNGU-GOSISDBHSA-N 2 1 321.424 3.193 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1)C1CCCC1 ZINC001580128388 1192008817 /nfs/dbraw/zinc/00/88/17/1192008817.db2.gz TUIADRVNWSLCBV-BHIYHBOVSA-N 2 1 324.509 3.149 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccc2c(c1)CCCO2)CC1CCCC1 ZINC001580296943 1192019900 /nfs/dbraw/zinc/01/99/00/1192019900.db2.gz BHIYUVGUVNWKIA-UHFFFAOYSA-N 2 1 302.462 3.353 20 0 DGADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC001580331456 1192021660 /nfs/dbraw/zinc/02/16/60/1192021660.db2.gz PKEFIIRDKUSQDB-BQFCYCMXSA-N 2 1 324.472 3.184 20 0 DGADMP [NH3+]Cc1ccc(CNCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001580339485 1192022406 /nfs/dbraw/zinc/02/24/06/1192022406.db2.gz ONZPTJGFALMKLZ-UHFFFAOYSA-N 2 1 315.505 3.281 20 0 DGADMP O[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580878294 1192043538 /nfs/dbraw/zinc/04/35/38/1192043538.db2.gz NRERRUUYRZPTPP-CUCSMPGESA-N 2 1 314.473 3.105 20 0 DGADMP OC1(C[N@H+]2CCCC3(C2)CCCCCC3)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580880604 1192043542 /nfs/dbraw/zinc/04/35/42/1192043542.db2.gz UJNJDYNQFCXFCZ-JJTKIYQPSA-N 2 1 306.494 3.068 20 0 DGADMP O[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580878297 1192043612 /nfs/dbraw/zinc/04/36/12/1192043612.db2.gz NRERRUUYRZPTPP-YGDSSSOMSA-N 2 1 314.473 3.105 20 0 DGADMP c1ccc(OC[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC001580895230 1192044562 /nfs/dbraw/zinc/04/45/62/1192044562.db2.gz HCWQJJJNAFGJFH-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP c1[nH]c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001580891630 1192044822 /nfs/dbraw/zinc/04/48/22/1192044822.db2.gz DJQKLBVNZNSQCC-MSOLQXFVSA-N 2 1 324.472 3.288 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC001620810639 1192105609 /nfs/dbraw/zinc/10/56/09/1192105609.db2.gz WGPNZZJWQTUFPZ-UHFFFAOYSA-N 2 1 317.824 3.063 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC000228837830 1176234742 /nfs/dbraw/zinc/23/47/42/1176234742.db2.gz DTOYTLSMRDPHTI-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC000228837830 1176234745 /nfs/dbraw/zinc/23/47/45/1176234745.db2.gz DTOYTLSMRDPHTI-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000395120406 1176757813 /nfs/dbraw/zinc/75/78/13/1176757813.db2.gz KDUCBMMPDHDQNF-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000395120406 1176757819 /nfs/dbraw/zinc/75/78/19/1176757819.db2.gz KDUCBMMPDHDQNF-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP CCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001671679519 1177240210 /nfs/dbraw/zinc/24/02/10/1177240210.db2.gz XOFRZUBXZWEQNA-PKOBYXMFSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338347107 1177751065 /nfs/dbraw/zinc/75/10/65/1177751065.db2.gz VJFQGSSPTFWVQL-SJORKVTESA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338347107 1177751073 /nfs/dbraw/zinc/75/10/73/1177751073.db2.gz VJFQGSSPTFWVQL-SJORKVTESA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338347107 1177751081 /nfs/dbraw/zinc/75/10/81/1177751081.db2.gz VJFQGSSPTFWVQL-SJORKVTESA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001331229037 1178159750 /nfs/dbraw/zinc/15/97/50/1178159750.db2.gz GNKQNQDGYOPQCO-YBXZHIRMSA-N 3 1 307.526 3.246 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001331229034 1178160022 /nfs/dbraw/zinc/16/00/22/1178160022.db2.gz GNKQNQDGYOPQCO-CXUOOODFSA-N 3 1 307.526 3.246 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC001331419992 1178208948 /nfs/dbraw/zinc/20/89/48/1178208948.db2.gz SYPPPHHPAMCDMT-ZETCQYMHSA-N 2 1 311.676 3.252 20 0 DGADMP COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC001331950708 1178317512 /nfs/dbraw/zinc/31/75/12/1178317512.db2.gz LYESXRQUAATONC-INIZCTEOSA-N 2 1 324.468 3.404 20 0 DGADMP COc1ccc(C[C@H](C)[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001332334573 1178421812 /nfs/dbraw/zinc/42/18/12/1178421812.db2.gz MOVHFBZIVMAJBX-UXDRXVOSSA-N 2 1 316.489 3.479 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CCCC1 ZINC001333143091 1178562474 /nfs/dbraw/zinc/56/24/74/1178562474.db2.gz CELGCBZHFWEEBH-UHFFFAOYSA-N 2 1 304.825 3.091 20 0 DGADMP COc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001333681133 1178652546 /nfs/dbraw/zinc/65/25/46/1178652546.db2.gz HETKCAURWSDDPJ-KRWDZBQOSA-N 2 1 314.429 3.242 20 0 DGADMP Fc1ccc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC001342120188 1179106555 /nfs/dbraw/zinc/10/65/55/1179106555.db2.gz VGKOVBWUDIILQU-BEFAXECRSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120188 1179106558 /nfs/dbraw/zinc/10/65/58/1179106558.db2.gz VGKOVBWUDIILQU-BEFAXECRSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120188 1179106564 /nfs/dbraw/zinc/10/65/64/1179106564.db2.gz VGKOVBWUDIILQU-BEFAXECRSA-N 2 1 320.427 3.456 20 0 DGADMP COCCCC1(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CCC1 ZINC001343332000 1179258667 /nfs/dbraw/zinc/25/86/67/1179258667.db2.gz ADCWPIHYDFCOLY-BZSNNMDCSA-N 2 1 308.510 3.245 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@H]2C1 ZINC001343332397 1179258718 /nfs/dbraw/zinc/25/87/18/1179258718.db2.gz CMTRDCPQKQONRH-RRFJBIMHSA-N 2 1 305.491 3.183 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC001344540980 1179448474 /nfs/dbraw/zinc/44/84/74/1179448474.db2.gz RXTNZBJHEOKXOR-SFHVURJKSA-N 2 1 317.477 3.260 20 0 DGADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001345077448 1179523255 /nfs/dbraw/zinc/52/32/55/1179523255.db2.gz QNMRVUPSHYXNPY-YJBOKZPZSA-N 2 1 314.429 3.288 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC001349326357 1179893346 /nfs/dbraw/zinc/89/33/46/1179893346.db2.gz XENNKQBMHLNOTJ-OAHLLOKOSA-N 2 1 322.522 3.003 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315769 1180198344 /nfs/dbraw/zinc/19/83/44/1180198344.db2.gz RODHASCBYQUBRW-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315769 1180198348 /nfs/dbraw/zinc/19/83/48/1180198348.db2.gz RODHASCBYQUBRW-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP N[C@H](c1noc([C@@H]([NH3+])C2CCCCCC2)n1)c1ccccc1 ZINC001352141076 1180301259 /nfs/dbraw/zinc/30/12/59/1180301259.db2.gz GVFJDTGLLBDCQY-GJZGRUSLSA-N 2 1 300.406 3.088 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001200526321 1180700435 /nfs/dbraw/zinc/70/04/35/1180700435.db2.gz OXQHEMQTUTWFIW-FQEVSTJZSA-N 2 1 318.505 3.212 20 0 DGADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc(C)c1OC(F)F ZINC001651380348 1195451810 /nfs/dbraw/zinc/45/18/10/1195451810.db2.gz SNFVHZGUJHBIPP-ZDUSSCGKSA-N 2 1 300.393 3.335 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(Br)cc1F ZINC001579601760 1181830897 /nfs/dbraw/zinc/83/08/97/1181830897.db2.gz ZJSPGGRAQAKQKJ-RYUDHWBXSA-N 2 1 315.230 3.256 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1c1cccc(C)c1 ZINC001459539153 1182591464 /nfs/dbraw/zinc/59/14/64/1182591464.db2.gz JPSBNCKWKXEMSP-OALUTQOASA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC001459539153 1182591471 /nfs/dbraw/zinc/59/14/71/1182591471.db2.gz JPSBNCKWKXEMSP-OALUTQOASA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC001459539153 1182591478 /nfs/dbraw/zinc/59/14/78/1182591478.db2.gz JPSBNCKWKXEMSP-OALUTQOASA-N 2 1 304.478 3.225 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523860 1182591685 /nfs/dbraw/zinc/59/16/85/1182591685.db2.gz UONLSYMCDBQLDU-HUUCEWRRSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523860 1182591689 /nfs/dbraw/zinc/59/16/89/1182591689.db2.gz UONLSYMCDBQLDU-HUUCEWRRSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOC(F)(F)F)C1 ZINC001459523860 1182591692 /nfs/dbraw/zinc/59/16/92/1182591692.db2.gz UONLSYMCDBQLDU-HUUCEWRRSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)C1 ZINC001459523860 1182591695 /nfs/dbraw/zinc/59/16/95/1182591695.db2.gz UONLSYMCDBQLDU-HUUCEWRRSA-N 2 1 322.415 3.499 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC001459539158 1182591936 /nfs/dbraw/zinc/59/19/36/1182591936.db2.gz JPSBNCKWKXEMSP-RTBURBONSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC001459539158 1182591938 /nfs/dbraw/zinc/59/19/38/1182591938.db2.gz JPSBNCKWKXEMSP-RTBURBONSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC001459539158 1182591941 /nfs/dbraw/zinc/59/19/41/1182591941.db2.gz JPSBNCKWKXEMSP-RTBURBONSA-N 2 1 304.478 3.225 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001459919462 1182629652 /nfs/dbraw/zinc/62/96/52/1182629652.db2.gz BZWJNXUISZSYOF-FXAWDEMLSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001459919462 1182629653 /nfs/dbraw/zinc/62/96/53/1182629653.db2.gz BZWJNXUISZSYOF-FXAWDEMLSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@@H](C)[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460568459 1182696890 /nfs/dbraw/zinc/69/68/90/1182696890.db2.gz LLPUEKSFWNSYOI-CRAIPNDOSA-N 2 1 320.477 3.158 20 0 DGADMP C[C@H]1C[N@@H+](CCCN(C)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001460709386 1182711146 /nfs/dbraw/zinc/71/11/46/1182711146.db2.gz MZXGWZODABRSEV-SFHVURJKSA-N 2 1 324.472 3.119 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCc2c1cccc2F ZINC001460802805 1182724022 /nfs/dbraw/zinc/72/40/22/1182724022.db2.gz UYZUAZSDXWCRJP-IFXJQAMLSA-N 2 1 311.404 3.419 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCc2c1cccc2F ZINC001460802809 1182724669 /nfs/dbraw/zinc/72/46/69/1182724669.db2.gz UYZUAZSDXWCRJP-LIRRHRJNSA-N 2 1 311.404 3.419 20 0 DGADMP C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824187 1182727520 /nfs/dbraw/zinc/72/75/20/1182727520.db2.gz GVBSSHOELLZIPF-DOMZBBRYSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824187 1182727525 /nfs/dbraw/zinc/72/75/25/1182727525.db2.gz GVBSSHOELLZIPF-DOMZBBRYSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824187 1182727531 /nfs/dbraw/zinc/72/75/31/1182727531.db2.gz GVBSSHOELLZIPF-DOMZBBRYSA-N 2 1 308.853 3.410 20 0 DGADMP CC(C)[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Nc1ccccc1 ZINC001461019472 1182757630 /nfs/dbraw/zinc/75/76/30/1182757630.db2.gz QFBGSJMYXKTLEO-SFHVURJKSA-N 2 1 312.461 3.374 20 0 DGADMP CC(C)c1[nH+]c(CNCC[NH+]2CCCCCC2)c2ccccn21 ZINC001461037192 1182760225 /nfs/dbraw/zinc/76/02/25/1182760225.db2.gz GSDJIBXKYOQLNU-UHFFFAOYSA-N 2 1 314.477 3.423 20 0 DGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nccs2)cc1 ZINC001461047454 1182761270 /nfs/dbraw/zinc/76/12/70/1182761270.db2.gz XJCBAUUCECYMDA-UHFFFAOYSA-N 2 1 319.474 3.154 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001461058106 1182762606 /nfs/dbraw/zinc/76/26/06/1182762606.db2.gz VXJPSAJQFDABKD-QFBILLFUSA-N 2 1 302.462 3.117 20 0 DGADMP CC[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC001461167615 1182777032 /nfs/dbraw/zinc/77/70/32/1182777032.db2.gz SLIXNIZCFVHRII-SFHVURJKSA-N 2 1 316.489 3.415 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001461258668 1182788757 /nfs/dbraw/zinc/78/87/57/1182788757.db2.gz APUFFCLRQGIKCI-OKYOBFRVSA-N 2 1 306.494 3.046 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001461258668 1182788759 /nfs/dbraw/zinc/78/87/59/1182788759.db2.gz APUFFCLRQGIKCI-OKYOBFRVSA-N 2 1 306.494 3.046 20 0 DGADMP CCCn1nc(C)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1C ZINC001461423166 1182810967 /nfs/dbraw/zinc/81/09/67/1182810967.db2.gz GQZVZHJVSQRZEB-UHFFFAOYSA-N 2 1 306.498 3.122 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001461484616 1182819180 /nfs/dbraw/zinc/81/91/80/1182819180.db2.gz QRDVXCCARGKIDT-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP CCn1c2ccc(C)cc2[nH+]c1NCc1c[nH+]ccc1N(C)C ZINC001461732280 1182847436 /nfs/dbraw/zinc/84/74/36/1182847436.db2.gz RRWGPIZGOGFFEH-UHFFFAOYSA-N 2 1 309.417 3.438 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC001461830755 1182864906 /nfs/dbraw/zinc/86/49/06/1182864906.db2.gz OOTSMMGTPMNPPR-VDGAXYAQSA-N 2 1 314.473 3.438 20 0 DGADMP Cc1csc2nc(C)c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)n12 ZINC001462203090 1182923364 /nfs/dbraw/zinc/92/33/64/1182923364.db2.gz RETSLXVGYSVKIO-UHFFFAOYSA-N 2 1 320.506 3.224 20 0 DGADMP CCO[C@H](C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)C[NH+](C)C ZINC001462573829 1182971502 /nfs/dbraw/zinc/97/15/02/1182971502.db2.gz POFZZNUTNGESRU-QYZOEREBSA-N 2 1 304.478 3.269 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@H]1C1CCCC1 ZINC001462666327 1182982992 /nfs/dbraw/zinc/98/29/92/1182982992.db2.gz MBBSFCQCCZHJBT-WDSOQIARSA-N 2 1 306.494 3.046 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001473219315 1183731668 /nfs/dbraw/zinc/73/16/68/1183731668.db2.gz FECCNKIWPCYBNW-XSLAGTTESA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001473219315 1183731672 /nfs/dbraw/zinc/73/16/72/1183731672.db2.gz FECCNKIWPCYBNW-XSLAGTTESA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001473219315 1183731676 /nfs/dbraw/zinc/73/16/76/1183731676.db2.gz FECCNKIWPCYBNW-XSLAGTTESA-N 2 1 320.427 3.451 20 0 DGADMP OC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCCC1 ZINC001473286675 1183738313 /nfs/dbraw/zinc/73/83/13/1183738313.db2.gz MTQAFBCTDUOION-WMZOPIPTSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCCC1 ZINC001473286675 1183738318 /nfs/dbraw/zinc/73/83/18/1183738318.db2.gz MTQAFBCTDUOION-WMZOPIPTSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCCC1 ZINC001473286675 1183738321 /nfs/dbraw/zinc/73/83/21/1183738321.db2.gz MTQAFBCTDUOION-WMZOPIPTSA-N 2 1 306.494 3.020 20 0 DGADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001473523595 1183770812 /nfs/dbraw/zinc/77/08/12/1183770812.db2.gz KEAKUDAUYAWXJB-QGZVFWFLSA-N 2 1 317.521 3.052 20 0 DGADMP Cc1cccc(C[C@@]2(C)CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC001473686271 1183789646 /nfs/dbraw/zinc/78/96/46/1183789646.db2.gz ACWSKHBSUXOMMO-VQTJNVASSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@@]2(C)CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC001473686271 1183789654 /nfs/dbraw/zinc/78/96/54/1183789654.db2.gz ACWSKHBSUXOMMO-VQTJNVASSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@@]2(C)CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC001473686271 1183789658 /nfs/dbraw/zinc/78/96/58/1183789658.db2.gz ACWSKHBSUXOMMO-VQTJNVASSA-N 2 1 318.505 3.093 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001473902178 1183823462 /nfs/dbraw/zinc/82/34/62/1183823462.db2.gz RAXYSIZUWHKRKA-SLFFLAALSA-N 2 1 319.537 3.057 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001473902178 1183823470 /nfs/dbraw/zinc/82/34/70/1183823470.db2.gz RAXYSIZUWHKRKA-SLFFLAALSA-N 2 1 319.537 3.057 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001473902178 1183823477 /nfs/dbraw/zinc/82/34/77/1183823477.db2.gz RAXYSIZUWHKRKA-SLFFLAALSA-N 2 1 319.537 3.057 20 0 DGADMP C[N@@H+]1C[C@]23C[NH+](CCc4cccc(F)c4)C[C@@]2(C1)CCCC3 ZINC001473901863 1183824355 /nfs/dbraw/zinc/82/43/55/1183824355.db2.gz ORUREVHZGJDSKU-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCc4cccc(F)c4)C[C@@]2(C1)CCCC3 ZINC001473901863 1183824366 /nfs/dbraw/zinc/82/43/66/1183824366.db2.gz ORUREVHZGJDSKU-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCc4cccc(F)c4)C[C@@]2(C1)CCCC3 ZINC001473901863 1183824374 /nfs/dbraw/zinc/82/43/74/1183824374.db2.gz ORUREVHZGJDSKU-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCc4cccc(F)c4)C[C@@]2(C1)CCCC3 ZINC001473901863 1183824379 /nfs/dbraw/zinc/82/43/79/1183824379.db2.gz ORUREVHZGJDSKU-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1nccn1C ZINC001473932226 1183831560 /nfs/dbraw/zinc/83/15/60/1183831560.db2.gz WPFFNUMPODVNMU-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OC ZINC001473968155 1183839683 /nfs/dbraw/zinc/83/96/83/1183839683.db2.gz LUBBMSYSXRYHFQ-CABCVRRESA-N 2 1 308.466 3.302 20 0 DGADMP C[C@H](CC[NH2+]Cc1cnc2ccc(Cl)cn12)[NH+]1CCCCC1 ZINC001474109568 1183870219 /nfs/dbraw/zinc/87/02/19/1183870219.db2.gz WVMNGTBWERVOAI-CQSZACIVSA-N 2 1 320.868 3.342 20 0 DGADMP CC(C)(C[NH2+]Cc1nccc2c1CCCC2)C[NH+]1CCCC1 ZINC001474134244 1183873760 /nfs/dbraw/zinc/87/37/60/1183873760.db2.gz PRZPEIWIMVVXJS-UHFFFAOYSA-N 2 1 301.478 3.172 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)CC1 ZINC001474387384 1183913090 /nfs/dbraw/zinc/91/30/90/1183913090.db2.gz ZLCVXNVVEXANAU-MRXNPFEDSA-N 2 1 307.507 3.493 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cccc3c2NCCC3)CCCC1 ZINC001474425228 1183919591 /nfs/dbraw/zinc/91/95/91/1183919591.db2.gz BMWCVTLMJNVNDT-UHFFFAOYSA-N 2 1 301.478 3.256 20 0 DGADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001480354402 1184503636 /nfs/dbraw/zinc/50/36/36/1184503636.db2.gz WOKIICRHGMRUQB-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001480526504 1184542200 /nfs/dbraw/zinc/54/22/00/1184542200.db2.gz QEYRNXVPQNMBFD-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001502126446 1185956806 /nfs/dbraw/zinc/95/68/06/1185956806.db2.gz YJWRRBKGAHTDEB-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001502126446 1185956809 /nfs/dbraw/zinc/95/68/09/1185956809.db2.gz YJWRRBKGAHTDEB-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001502126446 1185956813 /nfs/dbraw/zinc/95/68/13/1185956813.db2.gz YJWRRBKGAHTDEB-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001507322096 1186389846 /nfs/dbraw/zinc/38/98/46/1186389846.db2.gz PUAZJEVQKXNALE-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001514529859 1186712643 /nfs/dbraw/zinc/71/26/43/1186712643.db2.gz KLILJBLJBLVMHH-UHFFFAOYSA-N 2 1 317.458 3.256 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001611708184 1193440511 /nfs/dbraw/zinc/44/05/11/1193440511.db2.gz NWKBKJWZLYWPMU-AWEZNQCLSA-N 2 1 321.346 3.209 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2CC([NH3+])C2)cc1 ZINC001521433912 1187023340 /nfs/dbraw/zinc/02/33/40/1187023340.db2.gz QZTSJMSQACIPKO-OOHWJJMZSA-N 2 1 315.461 3.127 20 0 DGADMP CCNc1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC001615422238 1193521843 /nfs/dbraw/zinc/52/18/43/1193521843.db2.gz DCACEXCOQWYKHS-UHFFFAOYSA-N 2 1 310.511 3.127 20 0 DGADMP CCNc1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC001615422238 1193521844 /nfs/dbraw/zinc/52/18/44/1193521844.db2.gz DCACEXCOQWYKHS-UHFFFAOYSA-N 2 1 310.511 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC001549087676 1188493805 /nfs/dbraw/zinc/49/38/05/1188493805.db2.gz VYTITMVNOZVBFJ-WAPOTWQKSA-N 2 1 314.473 3.008 20 0 DGADMP Cn1cc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)c(C2CCCCC2)n1 ZINC001549088020 1188493875 /nfs/dbraw/zinc/49/38/75/1188493875.db2.gz DAPIPOCKGFNPAB-IEBWSBKVSA-N 2 1 316.493 3.029 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC001549114131 1188496402 /nfs/dbraw/zinc/49/64/02/1188496402.db2.gz BLCPYNJXUIHGOS-RDTXWAMCSA-N 2 1 315.392 3.042 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC001549118119 1188496726 /nfs/dbraw/zinc/49/67/26/1188496726.db2.gz VUCZUBNASSOAAW-XLIONFOSSA-N 2 1 323.440 3.435 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC001617401387 1193568131 /nfs/dbraw/zinc/56/81/31/1193568131.db2.gz NEQDAKLTSTXIND-CUDHKJQZSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001550175690 1188590893 /nfs/dbraw/zinc/59/08/93/1188590893.db2.gz UOIOTDNKOOUIDL-QFBILLFUSA-N 2 1 311.429 3.211 20 0 DGADMP CC1(C)C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)C(C)(C)O1 ZINC001550175425 1188591072 /nfs/dbraw/zinc/59/10/72/1188591072.db2.gz PGMIBHOIHWLJPD-PVAVHDDUSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)C(C)(C)O1 ZINC001550175425 1188591074 /nfs/dbraw/zinc/59/10/74/1188591074.db2.gz PGMIBHOIHWLJPD-PVAVHDDUSA-N 2 1 320.452 3.146 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC001550349534 1188609372 /nfs/dbraw/zinc/60/93/72/1188609372.db2.gz QDZHWAPGTCYOPE-TWMKSMIVSA-N 2 1 306.400 3.096 20 0 DGADMP CC[C@H](C)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001550350646 1188609498 /nfs/dbraw/zinc/60/94/98/1188609498.db2.gz FMJFOXAOWMCUHY-SLOHPKBISA-N 2 1 322.537 3.271 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3cccs3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353280 1188610086 /nfs/dbraw/zinc/61/00/86/1188610086.db2.gz KXTDYDURMNUYOT-FZMWSMFESA-N 2 1 322.518 3.269 20 0 DGADMP C[C@@H]1C[C@@H](c2ccccc2)C(C)(C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001550438280 1188615569 /nfs/dbraw/zinc/61/55/69/1188615569.db2.gz WZCKOFVMDNFFRP-NXHRZFHOSA-N 2 1 314.473 3.022 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c2ccccc2O1 ZINC001550473890 1188617477 /nfs/dbraw/zinc/61/74/77/1188617477.db2.gz SWCWPAFHSJOSRC-CNGORYIKSA-N 2 1 300.446 3.265 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)C1 ZINC001550520976 1188618684 /nfs/dbraw/zinc/61/86/84/1188618684.db2.gz PVSCPYUUBZGSJL-JTDSTZFVSA-N 2 1 319.493 3.367 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@H]2C1 ZINC001550543133 1188622712 /nfs/dbraw/zinc/62/27/12/1188622712.db2.gz HNKILVMTXBSYKH-ZRNYENFQSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@H]2C1 ZINC001550543133 1188622715 /nfs/dbraw/zinc/62/27/15/1188622715.db2.gz HNKILVMTXBSYKH-ZRNYENFQSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@H]2C1 ZINC001550543133 1188622717 /nfs/dbraw/zinc/62/27/17/1188622717.db2.gz HNKILVMTXBSYKH-ZRNYENFQSA-N 2 1 314.473 3.180 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001551261654 1188723289 /nfs/dbraw/zinc/72/32/89/1188723289.db2.gz OUACUCXYJPBWLY-QXCFHYIPSA-N 2 1 316.489 3.461 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@]34C[C@@H]3COC43CCC3)CC[NH2+]2)cc1 ZINC001551378702 1188732200 /nfs/dbraw/zinc/73/22/00/1188732200.db2.gz SFHRBINZNAGCFZ-YRXWBPOGSA-N 2 1 312.457 3.029 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC001551385193 1188734427 /nfs/dbraw/zinc/73/44/27/1188734427.db2.gz MIGBQIFGESCNMM-BZUAXINKSA-N 2 1 303.450 3.138 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC001552210611 1188825470 /nfs/dbraw/zinc/82/54/70/1188825470.db2.gz CKPIRUOAYPWHLE-QRQLOZEOSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@@H]1CC[NH3+] ZINC001552973133 1188886016 /nfs/dbraw/zinc/88/60/16/1188886016.db2.gz QQKNZGKBYMEIIW-BVBHFADKSA-N 2 1 302.462 3.214 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001553021920 1188890600 /nfs/dbraw/zinc/89/06/00/1188890600.db2.gz AKUWUSILCWJEHZ-KFWWJZLASA-N 2 1 310.388 3.154 20 0 DGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001553028248 1188892035 /nfs/dbraw/zinc/89/20/35/1188892035.db2.gz XAIKKXZDYJPZGH-BHYGNILZSA-N 2 1 301.478 3.245 20 0 DGADMP COc1cccc([C@]2(F)CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001553312490 1188915886 /nfs/dbraw/zinc/91/58/86/1188915886.db2.gz GVGUBWWBJOLSHC-SOXMVSPVSA-N 2 1 318.436 3.096 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CCCCC1 ZINC001559011037 1189163064 /nfs/dbraw/zinc/16/30/64/1189163064.db2.gz WLQIDEFFJWNTLY-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCC[C@@H]1CS[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001559429448 1189204817 /nfs/dbraw/zinc/20/48/17/1189204817.db2.gz TUPJKDZZJJLDFO-QZTJIDSGSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@@H]1CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001559429448 1189204818 /nfs/dbraw/zinc/20/48/18/1189204818.db2.gz TUPJKDZZJJLDFO-QZTJIDSGSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@@H]1CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559429448 1189204820 /nfs/dbraw/zinc/20/48/20/1189204820.db2.gz TUPJKDZZJJLDFO-QZTJIDSGSA-N 2 1 304.503 3.478 20 0 DGADMP Clc1ccccc1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001559943781 1189260317 /nfs/dbraw/zinc/26/03/17/1189260317.db2.gz SMXFAWMBEXBXPO-UHFFFAOYSA-N 2 1 315.848 3.490 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)oc4ccccc43)C[C@@H]2C1 ZINC001560056106 1189272829 /nfs/dbraw/zinc/27/28/29/1189272829.db2.gz YEUDUTHNMLKBET-OLZOCXBDSA-N 2 1 304.821 3.470 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]2C1 ZINC001560056106 1189272832 /nfs/dbraw/zinc/27/28/32/1189272832.db2.gz YEUDUTHNMLKBET-OLZOCXBDSA-N 2 1 304.821 3.470 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]2C1 ZINC001560056106 1189272835 /nfs/dbraw/zinc/27/28/35/1189272835.db2.gz YEUDUTHNMLKBET-OLZOCXBDSA-N 2 1 304.821 3.470 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC001560050986 1189272990 /nfs/dbraw/zinc/27/29/90/1189272990.db2.gz PUFZZAPZWDJOIH-SFHVURJKSA-N 2 1 308.510 3.268 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069296 1189274846 /nfs/dbraw/zinc/27/48/46/1189274846.db2.gz PKFTWJDOXNNQMP-GOSISDBHSA-N 2 1 324.509 3.306 20 0 DGADMP CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001560222221 1189294056 /nfs/dbraw/zinc/29/40/56/1189294056.db2.gz WJVMVCOKHAGRKN-OALUTQOASA-N 2 1 302.462 3.282 20 0 DGADMP CC[N@H+]1CC[C@H](CNCc2cc(C)c(C)cc2OC(F)F)C1 ZINC001560273177 1189303579 /nfs/dbraw/zinc/30/35/79/1189303579.db2.gz DIOJHYCRCYNPBX-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC001560273177 1189303583 /nfs/dbraw/zinc/30/35/83/1189303583.db2.gz DIOJHYCRCYNPBX-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC001560273177 1189303586 /nfs/dbraw/zinc/30/35/86/1189303586.db2.gz DIOJHYCRCYNPBX-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP COCc1cccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001560270121 1189303657 /nfs/dbraw/zinc/30/36/57/1189303657.db2.gz HGUORTNHJMZBBV-CALCHBBNSA-N 2 1 304.478 3.291 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001560282715 1189305639 /nfs/dbraw/zinc/30/56/39/1189305639.db2.gz AXVLNOLLBZUAIF-OAHLLOKOSA-N 2 1 320.525 3.467 20 0 DGADMP CC[C@H]1CCC[C@@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001560318552 1189311505 /nfs/dbraw/zinc/31/15/05/1189311505.db2.gz RBYVAQNYRSBFRF-ZWKOTPCHSA-N 2 1 308.510 3.437 20 0 DGADMP C[C@@H](CCNCC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001560546628 1189339509 /nfs/dbraw/zinc/33/95/09/1189339509.db2.gz CCWDPIVZTSHYDX-KRWDZBQOSA-N 2 1 305.510 3.074 20 0 DGADMP C[C@@H](CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC001560546628 1189339513 /nfs/dbraw/zinc/33/95/13/1189339513.db2.gz CCWDPIVZTSHYDX-KRWDZBQOSA-N 3 1 305.510 3.074 20 0 DGADMP C[C@@H](CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001560546628 1189339517 /nfs/dbraw/zinc/33/95/17/1189339517.db2.gz CCWDPIVZTSHYDX-KRWDZBQOSA-N 3 1 305.510 3.074 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC001560556985 1189341728 /nfs/dbraw/zinc/34/17/28/1189341728.db2.gz ADESPNCGAZIKCX-RYRKJORJSA-N 2 1 304.478 3.300 20 0 DGADMP Cc1ccc(N2CC[N@@H+](CC3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC001560681759 1189359910 /nfs/dbraw/zinc/35/99/10/1189359910.db2.gz UMTZRIINJSDKSR-SFHVURJKSA-N 2 1 315.505 3.156 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]CC2Cc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC001560900768 1189401685 /nfs/dbraw/zinc/40/16/85/1189401685.db2.gz IAUDATQAUBBVNK-YADHBBJMSA-N 2 1 320.480 3.336 20 0 DGADMP CC(C)CCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001560953847 1189410768 /nfs/dbraw/zinc/41/07/68/1189410768.db2.gz XXUAQDWDISVIBZ-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)CCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001560953847 1189410772 /nfs/dbraw/zinc/41/07/72/1189410772.db2.gz XXUAQDWDISVIBZ-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)CCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001560953847 1189410774 /nfs/dbraw/zinc/41/07/74/1189410774.db2.gz XXUAQDWDISVIBZ-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)CCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001560953847 1189410777 /nfs/dbraw/zinc/41/07/77/1189410777.db2.gz XXUAQDWDISVIBZ-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC[NH+](CC)CC[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001561048887 1189426995 /nfs/dbraw/zinc/42/69/95/1189426995.db2.gz HLHDNSYTEANSLB-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566662264 1189846729 /nfs/dbraw/zinc/84/67/29/1189846729.db2.gz JNGOGMJJEHDKHU-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483952 1196148033 /nfs/dbraw/zinc/14/80/33/1196148033.db2.gz ZTSWSCVFHBLVNI-QGZVFWFLSA-N 2 1 304.554 3.005 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483952 1196148037 /nfs/dbraw/zinc/14/80/37/1196148037.db2.gz ZTSWSCVFHBLVNI-QGZVFWFLSA-N 2 1 304.554 3.005 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483952 1196148039 /nfs/dbraw/zinc/14/80/39/1196148039.db2.gz ZTSWSCVFHBLVNI-QGZVFWFLSA-N 2 1 304.554 3.005 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483952 1196148040 /nfs/dbraw/zinc/14/80/40/1196148040.db2.gz ZTSWSCVFHBLVNI-QGZVFWFLSA-N 2 1 304.554 3.005 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001575116042 1191467285 /nfs/dbraw/zinc/46/72/85/1191467285.db2.gz OWXZGZVQIMHVGR-IBGZPJMESA-N 2 1 302.462 3.209 20 0 DGADMP CC(C)(C)[NH2+]CCN1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575141216 1191468458 /nfs/dbraw/zinc/46/84/58/1191468458.db2.gz MBJQPJQTJXDKPH-OAHLLOKOSA-N 2 1 306.498 3.206 20 0 DGADMP CC(C)[C@@H](C[N@H+]1CCOC2(CCC([NH3+])CC2)C1)c1ccccc1 ZINC001575428595 1191481904 /nfs/dbraw/zinc/48/19/04/1191481904.db2.gz HHUTVZHVMPUFQT-IOJLRTSASA-N 2 1 316.489 3.399 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001575453844 1191483968 /nfs/dbraw/zinc/48/39/68/1191483968.db2.gz UZAFPHHTCYLFFQ-GJZGRUSLSA-N 2 1 319.276 3.332 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001575453844 1191483973 /nfs/dbraw/zinc/48/39/73/1191483973.db2.gz UZAFPHHTCYLFFQ-GJZGRUSLSA-N 2 1 319.276 3.332 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001576167367 1191535699 /nfs/dbraw/zinc/53/56/99/1191535699.db2.gz DRRFIMTUQSKQQA-FZKQIMNGSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001576167367 1191535702 /nfs/dbraw/zinc/53/57/02/1191535702.db2.gz DRRFIMTUQSKQQA-FZKQIMNGSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccnc2Br)cc1 ZINC001576168393 1191535822 /nfs/dbraw/zinc/53/58/22/1191535822.db2.gz KNUUNXVREUPMGN-NSHDSACASA-N 2 1 320.234 3.154 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001576314867 1191558768 /nfs/dbraw/zinc/55/87/68/1191558768.db2.gz KQYVMRLSABFBQO-INIZCTEOSA-N 2 1 323.440 3.159 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC001621099828 1193757677 /nfs/dbraw/zinc/75/76/77/1193757677.db2.gz LGJSPEFRHNZUAT-RTBURBONSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1OCC(F)F)C[NH+]1CCCC1 ZINC001620728556 1193795594 /nfs/dbraw/zinc/79/55/94/1193795594.db2.gz XZYUHHPXMUTIMM-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(Cl)cc2c1OCC2)C[NH+]1CCCCC1 ZINC001620736855 1193796550 /nfs/dbraw/zinc/79/65/50/1193796550.db2.gz HIKNIDDPPZZBTC-AWEZNQCLSA-N 2 1 322.880 3.487 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC001620747032 1193797605 /nfs/dbraw/zinc/79/76/05/1193797605.db2.gz LYNONRFZRMWXDR-OAHLLOKOSA-N 2 1 312.404 3.152 20 0 DGADMP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244466 1193822006 /nfs/dbraw/zinc/82/20/06/1193822006.db2.gz NXXZCBJQEPWGIY-IAGOWNOFSA-N 3 1 321.553 3.492 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001621244466 1193822010 /nfs/dbraw/zinc/82/20/10/1193822010.db2.gz NXXZCBJQEPWGIY-IAGOWNOFSA-N 3 1 321.553 3.492 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244466 1193822013 /nfs/dbraw/zinc/82/20/13/1193822013.db2.gz NXXZCBJQEPWGIY-IAGOWNOFSA-N 3 1 321.553 3.492 20 0 DGADMP C[C@]1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCS1 ZINC001621299731 1193828666 /nfs/dbraw/zinc/82/86/66/1193828666.db2.gz SZULQVGMPGDAHV-CEXWTWQISA-N 2 1 316.514 3.336 20 0 DGADMP C[C@]1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCS1 ZINC001621299731 1193828668 /nfs/dbraw/zinc/82/86/68/1193828668.db2.gz SZULQVGMPGDAHV-CEXWTWQISA-N 2 1 316.514 3.336 20 0 DGADMP C[C@]1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCCS1 ZINC001621299731 1193828672 /nfs/dbraw/zinc/82/86/72/1193828672.db2.gz SZULQVGMPGDAHV-CEXWTWQISA-N 2 1 316.514 3.336 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)n1 ZINC001621349905 1193832440 /nfs/dbraw/zinc/83/24/40/1193832440.db2.gz VNUKLARMEVHKSB-AEFFLSMTSA-N 2 1 319.493 3.121 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C12CCCCC2 ZINC001621569735 1193860687 /nfs/dbraw/zinc/86/06/87/1193860687.db2.gz CHURNLDVDZZGOJ-OBVSXPTNSA-N 2 1 306.494 3.044 20 0 DGADMP CC[C@]1(CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001642773475 1194938145 /nfs/dbraw/zinc/93/81/45/1194938145.db2.gz DIASLIAYQYTZBM-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP C[C@H]1C[C@H](CC[N@@H+](C)CCCN(C)CC[NH+](C)C)C[C@@H](C)C1 ZINC001643311800 1195013115 /nfs/dbraw/zinc/01/31/15/1195013115.db2.gz APCQOBSUJZJGDQ-BWTSREIZSA-N 2 1 311.558 3.264 20 0 DGADMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC001643599279 1195037264 /nfs/dbraw/zinc/03/72/64/1195037264.db2.gz KMHNICRCARWJKA-HXUWFJFHSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC001643599279 1195037268 /nfs/dbraw/zinc/03/72/68/1195037268.db2.gz KMHNICRCARWJKA-HXUWFJFHSA-N 2 1 316.489 3.233 20 0 DGADMP CCC(CC)C[N@@H+](CC)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001644321043 1195100492 /nfs/dbraw/zinc/10/04/92/1195100492.db2.gz WNSPFIJGMVQQGF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[N@H+](CC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001644321043 1195100496 /nfs/dbraw/zinc/10/04/96/1195100496.db2.gz WNSPFIJGMVQQGF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[N@@H+](CC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001644321043 1195100499 /nfs/dbraw/zinc/10/04/99/1195100499.db2.gz WNSPFIJGMVQQGF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[NH+](CC)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001644321043 1195100502 /nfs/dbraw/zinc/10/05/02/1195100502.db2.gz WNSPFIJGMVQQGF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[NH+](CC)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001644321043 1195100506 /nfs/dbraw/zinc/10/05/06/1195100506.db2.gz WNSPFIJGMVQQGF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP Cc1nc([C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)[nH]c1C ZINC001644479049 1195111057 /nfs/dbraw/zinc/11/10/57/1195111057.db2.gz CBWYONWOYJMJIV-INIZCTEOSA-N 2 1 301.438 3.149 20 0 DGADMP Cc1nc([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)[nH]c1C ZINC001644479049 1195111060 /nfs/dbraw/zinc/11/10/60/1195111060.db2.gz CBWYONWOYJMJIV-INIZCTEOSA-N 2 1 301.438 3.149 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC001644571359 1195118295 /nfs/dbraw/zinc/11/82/95/1195118295.db2.gz ZRNLTYQNSDRWAJ-CVEARBPZSA-N 2 1 317.477 3.186 20 0 DGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001644780600 1195134227 /nfs/dbraw/zinc/13/42/27/1195134227.db2.gz CJFJKFAWHSAZTB-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001644780600 1195134229 /nfs/dbraw/zinc/13/42/29/1195134229.db2.gz CJFJKFAWHSAZTB-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CC(F)(F)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001645474677 1195187739 /nfs/dbraw/zinc/18/77/39/1195187739.db2.gz AQJLGZNFQFAQIV-CALCHBBNSA-N 2 1 308.416 3.486 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856522 1195205878 /nfs/dbraw/zinc/20/58/78/1195205878.db2.gz FPPKGDQSPNPKRD-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856522 1195205881 /nfs/dbraw/zinc/20/58/81/1195205881.db2.gz FPPKGDQSPNPKRD-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856522 1195205884 /nfs/dbraw/zinc/20/58/84/1195205884.db2.gz FPPKGDQSPNPKRD-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856522 1195205886 /nfs/dbraw/zinc/20/58/86/1195205886.db2.gz FPPKGDQSPNPKRD-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CCC[C@H]2C)c2ccccn21 ZINC001647032561 1195242134 /nfs/dbraw/zinc/24/21/34/1195242134.db2.gz CCPJOGVLHFLRJP-OAHLLOKOSA-N 2 1 300.450 3.032 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCC[C@H]2C)c2ccccn21 ZINC001647032561 1195242137 /nfs/dbraw/zinc/24/21/37/1195242137.db2.gz CCPJOGVLHFLRJP-OAHLLOKOSA-N 2 1 300.450 3.032 20 0 DGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Sc1ccccc1 ZINC001647036461 1195243020 /nfs/dbraw/zinc/24/30/20/1195243020.db2.gz YPCARGBFBLHERC-CQSZACIVSA-N 2 1 301.459 3.418 20 0 DGADMP COc1c(C)cnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1C ZINC001648155303 1195279900 /nfs/dbraw/zinc/27/99/00/1195279900.db2.gz ISMTVQCMILUGDB-UHFFFAOYSA-N 2 1 319.493 3.405 20 0 DGADMP C[C@H](CC[NH2+]Cc1cc(F)ccc1N(C)C)[NH+]1CCCCC1 ZINC001650935305 1195397656 /nfs/dbraw/zinc/39/76/56/1195397656.db2.gz FCTHEHCXXHZHLG-OAHLLOKOSA-N 2 1 307.457 3.246 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC001651697625 1195497664 /nfs/dbraw/zinc/49/76/64/1195497664.db2.gz DSTWCYGMYGEIFN-XKQJLSEDSA-N 2 1 315.848 3.318 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001651862863 1195518157 /nfs/dbraw/zinc/51/81/57/1195518157.db2.gz OZKWNIGHULVFLN-KRWDZBQOSA-N 2 1 301.478 3.200 20 0 DGADMP CNc1ccc(C)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001651862863 1195518158 /nfs/dbraw/zinc/51/81/58/1195518158.db2.gz OZKWNIGHULVFLN-KRWDZBQOSA-N 2 1 301.478 3.200 20 0 DGADMP CNc1ccc(C)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001651862863 1195518161 /nfs/dbraw/zinc/51/81/61/1195518161.db2.gz OZKWNIGHULVFLN-KRWDZBQOSA-N 2 1 301.478 3.200 20 0 DGADMP Fc1ccc(Oc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001651909079 1195521639 /nfs/dbraw/zinc/52/16/39/1195521639.db2.gz WEPBDRLKQYEDCK-HZPDHXFCSA-N 2 1 312.388 3.269 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC3CCC(C)([NH+]4CCC4)CC3)c12 ZINC001652296855 1195576832 /nfs/dbraw/zinc/57/68/32/1195576832.db2.gz BIQGKWKTAJDSKW-UHFFFAOYSA-N 2 1 313.449 3.339 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652361985 1195588635 /nfs/dbraw/zinc/58/86/35/1195588635.db2.gz UBSLBTWZTWDFMS-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652361985 1195588639 /nfs/dbraw/zinc/58/86/39/1195588639.db2.gz UBSLBTWZTWDFMS-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC001652389529 1195590792 /nfs/dbraw/zinc/59/07/92/1195590792.db2.gz CJZCXFQLOGCOKB-ZWKOTPCHSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000067223005 1195608819 /nfs/dbraw/zinc/60/88/19/1195608819.db2.gz ZRVGPMVLUFZFHU-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001652590318 1195622973 /nfs/dbraw/zinc/62/29/73/1195622973.db2.gz IRBNMRYYHWNSFC-ZDUSSCGKSA-N 2 1 318.383 3.446 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001652590318 1195622975 /nfs/dbraw/zinc/62/29/75/1195622975.db2.gz IRBNMRYYHWNSFC-ZDUSSCGKSA-N 2 1 318.383 3.446 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001653049113 1195684098 /nfs/dbraw/zinc/68/40/98/1195684098.db2.gz NDZQFJVWEXLMHW-ROUUACIJSA-N 2 1 306.494 3.455 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001653049113 1195684102 /nfs/dbraw/zinc/68/41/02/1195684102.db2.gz NDZQFJVWEXLMHW-ROUUACIJSA-N 2 1 306.494 3.455 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccs3)c2)CCO1 ZINC000067976643 1195687009 /nfs/dbraw/zinc/68/70/09/1195687009.db2.gz XTAQXLBEIIKPIZ-OAHLLOKOSA-N 2 1 316.470 3.259 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccs3)c2)CCO1 ZINC000067976643 1195687012 /nfs/dbraw/zinc/68/70/12/1195687012.db2.gz XTAQXLBEIIKPIZ-OAHLLOKOSA-N 2 1 316.470 3.259 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC001653314424 1195710327 /nfs/dbraw/zinc/71/03/27/1195710327.db2.gz QJXLOHYBJCXCCN-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1C[N@H+](CCc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001654659572 1195828286 /nfs/dbraw/zinc/82/82/86/1195828286.db2.gz DJANCFFYMNJECB-AWEZNQCLSA-N 2 1 317.383 3.113 20 0 DGADMP C[C@H]1C[N@@H+](CCc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001654659572 1195828292 /nfs/dbraw/zinc/82/82/92/1195828292.db2.gz DJANCFFYMNJECB-AWEZNQCLSA-N 2 1 317.383 3.113 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001654937015 1195855634 /nfs/dbraw/zinc/85/56/34/1195855634.db2.gz WDKYUIAADDWUES-SFHVURJKSA-N 2 1 324.896 3.355 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001654937015 1195855638 /nfs/dbraw/zinc/85/56/38/1195855638.db2.gz WDKYUIAADDWUES-SFHVURJKSA-N 2 1 324.896 3.355 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024466 1195866086 /nfs/dbraw/zinc/86/60/86/1195866086.db2.gz HJEJRCYEYNMOPG-NWDGAFQWSA-N 2 1 301.356 3.055 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024466 1195866090 /nfs/dbraw/zinc/86/60/90/1195866090.db2.gz HJEJRCYEYNMOPG-NWDGAFQWSA-N 2 1 301.356 3.055 20 0 DGADMP CO[C@@H](C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001655142409 1195882936 /nfs/dbraw/zinc/88/29/36/1195882936.db2.gz YNJPDYFCTXEMCI-SLFFLAALSA-N 2 1 314.473 3.182 20 0 DGADMP CO[C@@H](C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001655142409 1195882938 /nfs/dbraw/zinc/88/29/38/1195882938.db2.gz YNJPDYFCTXEMCI-SLFFLAALSA-N 2 1 314.473 3.182 20 0 DGADMP CO[C@@H](C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001655142409 1195882942 /nfs/dbraw/zinc/88/29/42/1195882942.db2.gz YNJPDYFCTXEMCI-SLFFLAALSA-N 2 1 314.473 3.182 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655451427 1195919449 /nfs/dbraw/zinc/91/94/49/1195919449.db2.gz CQJHIZAUZIJBCN-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655451427 1195919460 /nfs/dbraw/zinc/91/94/60/1195919460.db2.gz CQJHIZAUZIJBCN-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001655597124 1195937421 /nfs/dbraw/zinc/93/74/21/1195937421.db2.gz KNUSLFLVTATSMQ-PJXRAHGQSA-N 2 1 318.436 3.072 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001655725027 1195956221 /nfs/dbraw/zinc/95/62/21/1195956221.db2.gz MPZVTEAVRUQSBD-GTAWCEEGSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001655725027 1195956218 /nfs/dbraw/zinc/95/62/18/1195956218.db2.gz MPZVTEAVRUQSBD-GTAWCEEGSA-N 2 1 315.505 3.284 20 0 DGADMP c1csc(-c2ncc(CNC[C@@H]3CC[N@H+](C4CC4)C3)s2)c1 ZINC001656028993 1195989304 /nfs/dbraw/zinc/98/93/04/1195989304.db2.gz AXJYRHLVROQQAB-LBPRGKRZSA-N 2 1 319.499 3.446 20 0 DGADMP c1csc(-c2ncc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)s2)c1 ZINC001656028993 1195989312 /nfs/dbraw/zinc/98/93/12/1195989312.db2.gz AXJYRHLVROQQAB-LBPRGKRZSA-N 2 1 319.499 3.446 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC001656218209 1196019109 /nfs/dbraw/zinc/01/91/09/1196019109.db2.gz SUBVIBBPWJUFTH-UHFFFAOYSA-N 2 1 318.461 3.136 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CC4(CCC4)CO3)C2)CC1 ZINC001657123278 1196108573 /nfs/dbraw/zinc/10/85/73/1196108573.db2.gz YBUASUDMDFOXDV-RTBURBONSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cccc3c2OCCCO3)CCCC1 ZINC001657140071 1196110134 /nfs/dbraw/zinc/11/01/34/1196110134.db2.gz JTNWRTYGUXYWGI-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C ZINC001657149404 1196111023 /nfs/dbraw/zinc/11/10/23/1196111023.db2.gz MSGGOUNGWWKCEX-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001657148325 1196111520 /nfs/dbraw/zinc/11/15/20/1196111520.db2.gz CIPQIPIDSXUNNZ-NZSAHSFTSA-N 2 1 310.441 3.278 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001657148325 1196111524 /nfs/dbraw/zinc/11/15/24/1196111524.db2.gz CIPQIPIDSXUNNZ-NZSAHSFTSA-N 2 1 310.441 3.278 20 0 DGADMP CC1(C)CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001657152494 1196111612 /nfs/dbraw/zinc/11/16/12/1196111612.db2.gz GAKWNRZYOASEIM-LJQANCHMSA-N 2 1 316.489 3.312 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001657215100 1196119949 /nfs/dbraw/zinc/11/99/49/1196119949.db2.gz VJQSLUSLTPMJBV-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001657215100 1196119950 /nfs/dbraw/zinc/11/99/50/1196119950.db2.gz VJQSLUSLTPMJBV-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@]3(C)CCCCO3)C2)CC1 ZINC001657304740 1196128818 /nfs/dbraw/zinc/12/88/18/1196128818.db2.gz VOABUQVXXOCSPF-MOPGFXCFSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001657322111 1196130314 /nfs/dbraw/zinc/13/03/14/1196130314.db2.gz DKYKKTFBTWPYFY-SUNYJGFJSA-N 2 1 316.493 3.477 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(CC)CC ZINC001657322299 1196130551 /nfs/dbraw/zinc/13/05/51/1196130551.db2.gz FXNMULKDMXREQI-DLBZAZTESA-N 2 1 305.466 3.221 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC001657366996 1196134456 /nfs/dbraw/zinc/13/44/56/1196134456.db2.gz FRLRHWISMAZNPP-MOPGFXCFSA-N 2 1 318.505 3.285 20 0 DGADMP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC001657703043 1196170934 /nfs/dbraw/zinc/17/09/34/1196170934.db2.gz QPGVIZCVWDRCJK-OALUTQOASA-N 2 1 306.494 3.237 20 0 DGADMP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC001657703043 1196170937 /nfs/dbraw/zinc/17/09/37/1196170937.db2.gz QPGVIZCVWDRCJK-OALUTQOASA-N 2 1 306.494 3.237 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C)c(C)c1 ZINC001658005987 1196200513 /nfs/dbraw/zinc/20/05/13/1196200513.db2.gz GUBFLKDXYAYOFC-FQEVSTJZSA-N 2 1 317.521 3.151 20 0 DGADMP Cc1cc(C)c(/C=C/C[N@H+](CCO)C2CCN(C)CC2)c(C)c1 ZINC001658201946 1196225231 /nfs/dbraw/zinc/22/52/31/1196225231.db2.gz KUEGYXQQIPDXQU-AATRIKPKSA-N 2 1 316.489 3.014 20 0 DGADMP Cc1cc(C)c(/C=C/CN(CCO)C2CC[NH+](C)CC2)c(C)c1 ZINC001658201946 1196225236 /nfs/dbraw/zinc/22/52/36/1196225236.db2.gz KUEGYXQQIPDXQU-AATRIKPKSA-N 2 1 316.489 3.014 20 0 DGADMP CC[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC001658341311 1196244555 /nfs/dbraw/zinc/24/45/55/1196244555.db2.gz PODMMLCDXVMCSJ-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC001658341311 1196244561 /nfs/dbraw/zinc/24/45/61/1196244561.db2.gz PODMMLCDXVMCSJ-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCC34CCOCC4)C2)C1 ZINC001658773278 1196298196 /nfs/dbraw/zinc/29/81/96/1196298196.db2.gz KXVHGVVIMWNBPQ-MSOLQXFVSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCCC34CCOCC4)C2)C1 ZINC001658773278 1196298200 /nfs/dbraw/zinc/29/82/00/1196298200.db2.gz KXVHGVVIMWNBPQ-MSOLQXFVSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCCC34CCOCC4)C2)C1 ZINC001658773278 1196298206 /nfs/dbraw/zinc/29/82/06/1196298206.db2.gz KXVHGVVIMWNBPQ-MSOLQXFVSA-N 2 1 306.494 3.001 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)s3)[C@H]2C1 ZINC001658778045 1196299663 /nfs/dbraw/zinc/29/96/63/1196299663.db2.gz PQOYIEGXFWYVAH-DLOVCJGASA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC001658777789 1196299397 /nfs/dbraw/zinc/29/93/97/1196299397.db2.gz IWYCFQHMZZULIV-XHSDSOJGSA-N 2 1 312.379 3.221 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC001658777787 1196299517 /nfs/dbraw/zinc/29/95/17/1196299517.db2.gz IWYCFQHMZZULIV-HRCADAONSA-N 2 1 312.379 3.221 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC001658830213 1196305761 /nfs/dbraw/zinc/30/57/61/1196305761.db2.gz NMGKRNLTHBREGS-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP Fc1ccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC001658828664 1196305994 /nfs/dbraw/zinc/30/59/94/1196305994.db2.gz UQSZWQMJBGWCCR-MRXNPFEDSA-N 2 1 308.416 3.315 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001658898947 1196317382 /nfs/dbraw/zinc/31/73/82/1196317382.db2.gz BTHSBMMBBYHZGN-NYHFZMIOSA-N 2 1 322.518 3.149 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001659376869 1196376413 /nfs/dbraw/zinc/37/64/13/1196376413.db2.gz IYFOKKCSHFIBMJ-CVEARBPZSA-N 2 1 320.477 3.446 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001659376869 1196376418 /nfs/dbraw/zinc/37/64/18/1196376418.db2.gz IYFOKKCSHFIBMJ-CVEARBPZSA-N 2 1 320.477 3.446 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC001659699456 1196406366 /nfs/dbraw/zinc/40/63/66/1196406366.db2.gz CAMVJFZDEFTDRT-IBGZPJMESA-N 2 1 315.505 3.321 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1OC(C)C ZINC000075780837 1196420902 /nfs/dbraw/zinc/42/09/02/1196420902.db2.gz VQDCBPONMOGRRY-HNNXBMFYSA-N 2 1 318.461 3.056 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1OC(C)C ZINC000075780837 1196420904 /nfs/dbraw/zinc/42/09/04/1196420904.db2.gz VQDCBPONMOGRRY-HNNXBMFYSA-N 2 1 318.461 3.056 20 0 DGADMP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001659939073 1196431339 /nfs/dbraw/zinc/43/13/39/1196431339.db2.gz ORJPEOKJDALSSH-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001659939073 1196431340 /nfs/dbraw/zinc/43/13/40/1196431340.db2.gz ORJPEOKJDALSSH-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C ZINC001660915051 1196541845 /nfs/dbraw/zinc/54/18/45/1196541845.db2.gz CFNUXDJARUICMB-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C ZINC001660915051 1196541847 /nfs/dbraw/zinc/54/18/47/1196541847.db2.gz CFNUXDJARUICMB-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC001660945338 1196543933 /nfs/dbraw/zinc/54/39/33/1196543933.db2.gz NMXFDTSOARIOJN-GJZGRUSLSA-N 2 1 319.493 3.165 20 0 DGADMP CCCn1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC001660945896 1196544982 /nfs/dbraw/zinc/54/49/82/1196544982.db2.gz ZJHNCMBUGQYFRV-IYBDPMFKSA-N 2 1 306.498 3.059 20 0 DGADMP CCCn1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC001660945896 1196544985 /nfs/dbraw/zinc/54/49/85/1196544985.db2.gz ZJHNCMBUGQYFRV-IYBDPMFKSA-N 2 1 306.498 3.059 20 0 DGADMP C[C@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)C[NH+]1CCCCC1 ZINC001661054083 1196559615 /nfs/dbraw/zinc/55/96/15/1196559615.db2.gz LFTDDSPEQDKWQH-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1OC(C)C ZINC001661602066 1196623050 /nfs/dbraw/zinc/62/30/50/1196623050.db2.gz UWQWCTLMZPMAFT-IRXDYDNUSA-N 2 1 320.477 3.445 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1CCCCC1 ZINC001662030864 1196676047 /nfs/dbraw/zinc/67/60/47/1196676047.db2.gz UVEINWIKWGYEBD-HXUWFJFHSA-N 2 1 316.489 3.313 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662187285 1196692373 /nfs/dbraw/zinc/69/23/73/1196692373.db2.gz DRXWSWAMMLZJHN-HOCLYGCPSA-N 2 1 316.445 3.158 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662187285 1196692375 /nfs/dbraw/zinc/69/23/75/1196692375.db2.gz DRXWSWAMMLZJHN-HOCLYGCPSA-N 2 1 316.445 3.158 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000078562420 1196745902 /nfs/dbraw/zinc/74/59/02/1196745902.db2.gz HDSAFPUVDOIHBC-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078562420 1196745905 /nfs/dbraw/zinc/74/59/05/1196745905.db2.gz HDSAFPUVDOIHBC-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078562420 1196745908 /nfs/dbraw/zinc/74/59/08/1196745908.db2.gz HDSAFPUVDOIHBC-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000078562420 1196745910 /nfs/dbraw/zinc/74/59/10/1196745910.db2.gz HDSAFPUVDOIHBC-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000078562420 1196745911 /nfs/dbraw/zinc/74/59/11/1196745911.db2.gz HDSAFPUVDOIHBC-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@@H]2C1 ZINC001663489018 1196884479 /nfs/dbraw/zinc/88/44/79/1196884479.db2.gz GUXSXDCDLMDGRJ-MRCXROJRSA-N 2 1 314.260 3.005 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@@H]2C1 ZINC001663489018 1196884482 /nfs/dbraw/zinc/88/44/82/1196884482.db2.gz GUXSXDCDLMDGRJ-MRCXROJRSA-N 2 1 314.260 3.005 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2cc(C)cc(C)c2)C1 ZINC001663767819 1196942801 /nfs/dbraw/zinc/94/28/01/1196942801.db2.gz QPHPLHAKMAIIJR-HXUWFJFHSA-N 2 1 318.505 3.279 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)CC1 ZINC001663810626 1196947696 /nfs/dbraw/zinc/94/76/96/1196947696.db2.gz SRQCAUIQNKLKCY-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H](C)c1ccccc1 ZINC001664590723 1197018036 /nfs/dbraw/zinc/01/80/36/1197018036.db2.gz AAYWIPGFDFZDSJ-UYAOXDASSA-N 2 1 317.521 3.138 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001664617256 1197022131 /nfs/dbraw/zinc/02/21/31/1197022131.db2.gz BMUIZZYEVKTZLO-YOEHRIQHSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001664617256 1197022135 /nfs/dbraw/zinc/02/21/35/1197022135.db2.gz BMUIZZYEVKTZLO-YOEHRIQHSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001664617256 1197022139 /nfs/dbraw/zinc/02/21/39/1197022139.db2.gz BMUIZZYEVKTZLO-YOEHRIQHSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001664617256 1197022144 /nfs/dbraw/zinc/02/21/44/1197022144.db2.gz BMUIZZYEVKTZLO-YOEHRIQHSA-N 2 1 308.491 3.059 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277340 1197117451 /nfs/dbraw/zinc/11/74/51/1197117451.db2.gz OMDIXYZTWOXYJG-BPQIPLTHSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277340 1197117452 /nfs/dbraw/zinc/11/74/52/1197117452.db2.gz OMDIXYZTWOXYJG-BPQIPLTHSA-N 2 1 306.494 3.331 20 0 DGADMP C[NH+](C)C[C@@H]1C[NH+](CCCC2CCCCC2)C[C@H]1C[NH+](C)C ZINC001665444439 1197138034 /nfs/dbraw/zinc/13/80/34/1197138034.db2.gz CVVQMZULWTZUIJ-RTBURBONSA-N 3 1 309.542 3.018 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](C)CC(C)(C)c1ccccc1)C[NH+](C)C ZINC001665623286 1197160523 /nfs/dbraw/zinc/16/05/23/1197160523.db2.gz DDMQTAKDFPVAAC-FUHWJXTLSA-N 2 1 306.494 3.299 20 0 DGADMP CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH2+]CC=C(C)C ZINC001665808451 1197199840 /nfs/dbraw/zinc/19/98/40/1197199840.db2.gz CWKULXWXVROXPL-INIZCTEOSA-N 2 1 323.525 3.090 20 0 DGADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001665937605 1197219085 /nfs/dbraw/zinc/21/90/85/1197219085.db2.gz RFQNABSBGSSFEV-MWDXBVQZSA-N 2 1 324.509 3.064 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084018911 1197458385 /nfs/dbraw/zinc/45/83/85/1197458385.db2.gz QYPGHILLGPEPQW-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084018911 1197458387 /nfs/dbraw/zinc/45/83/87/1197458387.db2.gz QYPGHILLGPEPQW-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000323097358 1197689793 /nfs/dbraw/zinc/68/97/93/1197689793.db2.gz ZITLNEPAUTVEKY-SECBINFHSA-N 2 1 305.647 3.190 20 0 DGADMP CCc1cc(NCC2([N@H+](C)Cc3ccccc3)CCC2)nc(C)[nH+]1 ZINC000386729658 1197707640 /nfs/dbraw/zinc/70/76/40/1197707640.db2.gz AWDYEDUXWVEGFF-UHFFFAOYSA-N 2 1 324.472 3.236 20 0 DGADMP CCc1cc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)nc(C)[nH+]1 ZINC000386729658 1197707643 /nfs/dbraw/zinc/70/76/43/1197707643.db2.gz AWDYEDUXWVEGFF-UHFFFAOYSA-N 2 1 324.472 3.236 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063568 1197722834 /nfs/dbraw/zinc/72/28/34/1197722834.db2.gz WZEQVMBHQWWVMY-OXJNMPFZSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063568 1197722837 /nfs/dbraw/zinc/72/28/37/1197722837.db2.gz WZEQVMBHQWWVMY-OXJNMPFZSA-N 2 1 310.441 3.392 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000091873117 1198481528 /nfs/dbraw/zinc/48/15/28/1198481528.db2.gz SUPHPMPXKMBGKH-UHFFFAOYSA-N 2 1 310.825 3.031 20 0 DGADMP Cc1ccc(O)c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000103342209 1199490314 /nfs/dbraw/zinc/49/03/14/1199490314.db2.gz OSFSIXNGXNHUBM-UHFFFAOYSA-N 2 1 313.445 3.226 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000103341154 1199490486 /nfs/dbraw/zinc/49/04/86/1199490486.db2.gz BVWVUFLXIBIZSZ-UHFFFAOYSA-N 2 1 312.461 3.349 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000105457261 1199542600 /nfs/dbraw/zinc/54/26/00/1199542600.db2.gz OKMFBMKIFLSUOC-KRWDZBQOSA-N 2 1 312.461 3.082 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000105457261 1199542605 /nfs/dbraw/zinc/54/26/05/1199542605.db2.gz OKMFBMKIFLSUOC-KRWDZBQOSA-N 2 1 312.461 3.082 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000302838353 1199545322 /nfs/dbraw/zinc/54/53/22/1199545322.db2.gz HDSAFPUVDOIHBC-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000302838353 1199545324 /nfs/dbraw/zinc/54/53/24/1199545324.db2.gz HDSAFPUVDOIHBC-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000302838353 1199545329 /nfs/dbraw/zinc/54/53/29/1199545329.db2.gz HDSAFPUVDOIHBC-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000302838353 1199545330 /nfs/dbraw/zinc/54/53/30/1199545330.db2.gz HDSAFPUVDOIHBC-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000302838353 1199545343 /nfs/dbraw/zinc/54/53/43/1199545343.db2.gz HDSAFPUVDOIHBC-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000108428562 1199604403 /nfs/dbraw/zinc/60/44/03/1199604403.db2.gz VMDJFPPMTLCHQP-WBVHZDCISA-N 2 1 320.477 3.304 20 0 DGADMP CCCOc1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cccc1OCC ZINC000108428008 1199604718 /nfs/dbraw/zinc/60/47/18/1199604718.db2.gz YMZBDRLTFLSYRC-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCOc1c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cccc1OCC ZINC000108428008 1199604719 /nfs/dbraw/zinc/60/47/19/1199604719.db2.gz YMZBDRLTFLSYRC-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC[C@@H]1O ZINC000304609958 1199669352 /nfs/dbraw/zinc/66/93/52/1199669352.db2.gz DUTJMFIPWAEHMG-PMACEKPBSA-N 2 1 316.489 3.182 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000316968388 1199820589 /nfs/dbraw/zinc/82/05/89/1199820589.db2.gz JXSGZBKQUYXCNE-ZFWWWQNUSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000316968388 1199820596 /nfs/dbraw/zinc/82/05/96/1199820596.db2.gz JXSGZBKQUYXCNE-ZFWWWQNUSA-N 2 1 314.351 3.159 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC000319368904 1199838330 /nfs/dbraw/zinc/83/83/30/1199838330.db2.gz XCLKVFMVCVSHOF-MRRJBJDNSA-N 2 1 310.388 3.410 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000120852415 1200176082 /nfs/dbraw/zinc/17/60/82/1200176082.db2.gz NNHPNLZWFRCGPA-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121196037 1200198814 /nfs/dbraw/zinc/19/88/14/1200198814.db2.gz XPZCXIWWPDTKKJ-XLIONFOSSA-N 2 1 316.489 3.338 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121196186 1200198906 /nfs/dbraw/zinc/19/89/06/1200198906.db2.gz XPZCXIWWPDTKKJ-PXNSSMCTSA-N 2 1 316.489 3.338 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001690447265 1200561706 /nfs/dbraw/zinc/56/17/06/1200561706.db2.gz ZCWNZWOUYXLGTI-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001690447265 1200561708 /nfs/dbraw/zinc/56/17/08/1200561708.db2.gz ZCWNZWOUYXLGTI-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001690447265 1200561715 /nfs/dbraw/zinc/56/17/15/1200561715.db2.gz ZCWNZWOUYXLGTI-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001700434750 1202272223 /nfs/dbraw/zinc/27/22/23/1202272223.db2.gz PAILMTRVERYVAV-LXPRWKDFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001700765102 1202350511 /nfs/dbraw/zinc/35/05/11/1202350511.db2.gz MLPSOIAZZHSTEN-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158591110 1202603837 /nfs/dbraw/zinc/60/38/37/1202603837.db2.gz FKQREWFNSSAFDW-KBPBESRZSA-N 2 1 302.340 3.287 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000158591110 1202603838 /nfs/dbraw/zinc/60/38/38/1202603838.db2.gz FKQREWFNSSAFDW-KBPBESRZSA-N 2 1 302.340 3.287 20 0 DGADMP CC(C)CC[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000236725366 1202622326 /nfs/dbraw/zinc/62/23/26/1202622326.db2.gz APRYUOPDJDRNDC-LJQANCHMSA-N 2 1 303.494 3.001 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000236857322 1202629598 /nfs/dbraw/zinc/62/95/98/1202629598.db2.gz NUAXFZILIRAWTN-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000236959136 1202637728 /nfs/dbraw/zinc/63/77/28/1202637728.db2.gz TXKYQBORKXCQOK-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237107926 1202647749 /nfs/dbraw/zinc/64/77/49/1202647749.db2.gz NDOLEKCUFVESPU-UHFFFAOYSA-N 2 1 317.260 3.194 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713826286 1202693258 /nfs/dbraw/zinc/69/32/58/1202693258.db2.gz HEOLYAZQEZNSNP-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713826286 1202693259 /nfs/dbraw/zinc/69/32/59/1202693259.db2.gz HEOLYAZQEZNSNP-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713826286 1202693260 /nfs/dbraw/zinc/69/32/60/1202693260.db2.gz HEOLYAZQEZNSNP-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001717539902 1203677161 /nfs/dbraw/zinc/67/71/61/1203677161.db2.gz FESTXHMKXOIKTE-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166392195 1203799622 /nfs/dbraw/zinc/79/96/22/1203799622.db2.gz ZSGFWDDTGYBULS-NSHGMRRFSA-N 2 1 316.489 3.476 20 0 DGADMP CC[NH2+]CC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001725223731 1204121638 /nfs/dbraw/zinc/12/16/38/1204121638.db2.gz WOADIPOBWDYHSC-UHFFFAOYSA-N 2 1 323.525 3.070 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000300147230 1204296453 /nfs/dbraw/zinc/29/64/53/1204296453.db2.gz ZEZAMLAFHSTRRQ-STQMWFEESA-N 2 1 311.267 3.442 20 0 DGADMP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001732442265 1204842636 /nfs/dbraw/zinc/84/26/36/1204842636.db2.gz FCMWWXVLPFUFDK-OPDSQHBBSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001733765416 1205204349 /nfs/dbraw/zinc/20/43/49/1205204349.db2.gz VWAIXEGWAFLCIX-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001733765416 1205204350 /nfs/dbraw/zinc/20/43/50/1205204350.db2.gz VWAIXEGWAFLCIX-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001733765416 1205204353 /nfs/dbraw/zinc/20/43/53/1205204353.db2.gz VWAIXEGWAFLCIX-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001734465156 1205382749 /nfs/dbraw/zinc/38/27/49/1205382749.db2.gz ZKYKSOPEDVDARL-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206012236 1081578542 /nfs/dbraw/zinc/57/85/42/1081578542.db2.gz JFZUBJZBLKZNBT-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP CC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603579 1081635600 /nfs/dbraw/zinc/63/56/00/1081635600.db2.gz FCUDWNIRSWBDAT-AEFFLSMTSA-N 2 1 304.478 3.290 20 0 DGADMP CC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603579 1081635604 /nfs/dbraw/zinc/63/56/04/1081635604.db2.gz FCUDWNIRSWBDAT-AEFFLSMTSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603579 1081635606 /nfs/dbraw/zinc/63/56/06/1081635606.db2.gz FCUDWNIRSWBDAT-AEFFLSMTSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603579 1081635609 /nfs/dbraw/zinc/63/56/09/1081635609.db2.gz FCUDWNIRSWBDAT-AEFFLSMTSA-N 2 1 304.478 3.290 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(n3ncc4ccccc43)CC2)C1 ZINC001208613674 1081637356 /nfs/dbraw/zinc/63/73/56/1081637356.db2.gz XRJLNQZEBRMXSV-INIZCTEOSA-N 2 1 312.461 3.015 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(NCC23CC[NH+](CC2)CC3)nc1 ZINC001169796130 1081656615 /nfs/dbraw/zinc/65/66/15/1081656615.db2.gz WSLAZWUCUFAGBS-KRWDZBQOSA-N 2 1 314.477 3.136 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)[C@@H](C)C1 ZINC001169987875 1081785678 /nfs/dbraw/zinc/78/56/78/1081785678.db2.gz FEIYLSOLSMLLNE-HOCLYGCPSA-N 2 1 311.514 3.106 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)s1 ZINC001204032604 1081963670 /nfs/dbraw/zinc/96/36/70/1081963670.db2.gz VHJJNWFABUPDQZ-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)s1 ZINC001204032604 1081963674 /nfs/dbraw/zinc/96/36/74/1081963674.db2.gz VHJJNWFABUPDQZ-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001204032604 1081963678 /nfs/dbraw/zinc/96/36/78/1081963678.db2.gz VHJJNWFABUPDQZ-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001204032604 1081963680 /nfs/dbraw/zinc/96/36/80/1081963680.db2.gz VHJJNWFABUPDQZ-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211257881 1082099727 /nfs/dbraw/zinc/09/97/27/1082099727.db2.gz WHCCJHMUDQJRCN-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001170101800 1082100039 /nfs/dbraw/zinc/10/00/39/1082100039.db2.gz PMBXAAYJTTTYKJ-JQHSSLGASA-N 2 1 318.461 3.006 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001170110628 1082108276 /nfs/dbraw/zinc/10/82/76/1082108276.db2.gz ZUXNYCILWIKAIB-LEAZDLGRSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398300295 1082124590 /nfs/dbraw/zinc/12/45/90/1082124590.db2.gz GDTTZEQCIDIOOK-IDCXYZFESA-N 2 1 324.443 3.477 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398300295 1082124592 /nfs/dbraw/zinc/12/45/92/1082124592.db2.gz GDTTZEQCIDIOOK-IDCXYZFESA-N 2 1 324.443 3.477 20 0 DGADMP CCCC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001167554307 1082507176 /nfs/dbraw/zinc/50/71/76/1082507176.db2.gz NGTZUJLXDZVKRB-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001167554307 1082507179 /nfs/dbraw/zinc/50/71/79/1082507179.db2.gz NGTZUJLXDZVKRB-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001167648704 1082643329 /nfs/dbraw/zinc/64/33/29/1082643329.db2.gz XFCVXOBMVSROEM-CEXWTWQISA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001167648704 1082643334 /nfs/dbraw/zinc/64/33/34/1082643334.db2.gz XFCVXOBMVSROEM-CEXWTWQISA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001167648704 1082643337 /nfs/dbraw/zinc/64/33/37/1082643337.db2.gz XFCVXOBMVSROEM-CEXWTWQISA-N 2 1 302.462 3.180 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001204604705 1082668144 /nfs/dbraw/zinc/66/81/44/1082668144.db2.gz VVGKETTVGVEFOF-YJBOKZPZSA-N 2 1 322.443 3.432 20 0 DGADMP CCC/C=C\CC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815783 1082738926 /nfs/dbraw/zinc/73/89/26/1082738926.db2.gz TVQROLFXHUVXFW-WAYWQWQTSA-N 2 1 323.525 3.093 20 0 DGADMP Cn1c[nH+]cc1NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170590287 1082777860 /nfs/dbraw/zinc/77/78/60/1082777860.db2.gz UJLJHTKHFCWWNB-CYBMUJFWSA-N 2 1 313.232 3.442 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000708548650 1082843921 /nfs/dbraw/zinc/84/39/21/1082843921.db2.gz BOUBYBJUKVGENQ-NZSAHSFTSA-N 2 1 300.446 3.037 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)[C@H](C)C1 ZINC001167684565 1082910097 /nfs/dbraw/zinc/91/00/97/1082910097.db2.gz HDCLJRRDGXXRSQ-APWZRJJASA-N 2 1 318.581 3.394 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([Si](C)(C)C)cc2)[C@H](C)C1 ZINC001167684565 1082910103 /nfs/dbraw/zinc/91/01/03/1082910103.db2.gz HDCLJRRDGXXRSQ-APWZRJJASA-N 2 1 318.581 3.394 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)[C@H](C)C1 ZINC001167684565 1082910107 /nfs/dbraw/zinc/91/01/07/1082910107.db2.gz HDCLJRRDGXXRSQ-APWZRJJASA-N 2 1 318.581 3.394 20 0 DGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc[nH+]c2c1ccn2C ZINC001170686677 1083128078 /nfs/dbraw/zinc/12/80/78/1083128078.db2.gz YSMSCKUQJMDHCP-ZDUSSCGKSA-N 2 1 317.396 3.446 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001170706458 1083194492 /nfs/dbraw/zinc/19/44/92/1083194492.db2.gz FCDZKENCCOTKOL-HNNXBMFYSA-N 2 1 317.383 3.358 20 0 DGADMP CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)C[C@@H]21 ZINC001170716775 1083223214 /nfs/dbraw/zinc/22/32/14/1083223214.db2.gz WRYPGDHJGNHHBP-REPLKXPHSA-N 2 1 314.473 3.043 20 0 DGADMP Cc1[nH+]ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1F ZINC001170754212 1083301747 /nfs/dbraw/zinc/30/17/47/1083301747.db2.gz MYHYHFQTKPRBLO-KRWDZBQOSA-N 2 1 313.420 3.070 20 0 DGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612468 1083311761 /nfs/dbraw/zinc/31/17/61/1083311761.db2.gz MQWNLCNUMBHLCX-PWHGLLLSSA-N 2 1 323.525 3.090 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)CC1 ZINC001181244456 1083430341 /nfs/dbraw/zinc/43/03/41/1083430341.db2.gz TVHXHDXZJUXEKS-UHFFFAOYSA-N 2 1 314.473 3.319 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CCC[C@@H](C)C1 ZINC001181489423 1083475834 /nfs/dbraw/zinc/47/58/34/1083475834.db2.gz YOPBURNKJMAOKD-CEXWTWQISA-N 2 1 309.542 3.161 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001207483877 1083477811 /nfs/dbraw/zinc/47/78/11/1083477811.db2.gz IXRJSTJXLAWJKN-LJQANCHMSA-N 3 1 307.526 3.059 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267965858 1083663127 /nfs/dbraw/zinc/66/31/27/1083663127.db2.gz UIQWHGMWTLPTLA-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC000709479537 1083677047 /nfs/dbraw/zinc/67/70/47/1083677047.db2.gz CGQBDFXKAASRID-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP Cc1noc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCCC3)C2)n1 ZINC001183379216 1083941735 /nfs/dbraw/zinc/94/17/35/1083941735.db2.gz KGDYDANPVWPQNK-VMBOVVBDSA-N 2 1 318.465 3.011 20 0 DGADMP Cc1noc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCCC3)C2)n1 ZINC001183379216 1083941746 /nfs/dbraw/zinc/94/17/46/1083941746.db2.gz KGDYDANPVWPQNK-VMBOVVBDSA-N 2 1 318.465 3.011 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2c1OCC2 ZINC001183511212 1083964957 /nfs/dbraw/zinc/96/49/57/1083964957.db2.gz KTDOTQJOSHMCSJ-UHFFFAOYSA-N 2 1 302.462 3.319 20 0 DGADMP C[C@@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001183532582 1083971887 /nfs/dbraw/zinc/97/18/87/1083971887.db2.gz DZIKVSRFJWKAEG-LLCTXKFZSA-N 2 1 311.404 3.445 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccnc3F)C[C@@H]2C1 ZINC001184302810 1084142113 /nfs/dbraw/zinc/14/21/13/1084142113.db2.gz NEJBSQAYSONOBU-FRRDWIJNSA-N 2 1 311.832 3.036 20 0 DGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184389228 1084170309 /nfs/dbraw/zinc/17/03/09/1084170309.db2.gz WMIKEFZTEVUEDH-QSFMABPGSA-N 2 1 311.473 3.419 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001167841893 1084182693 /nfs/dbraw/zinc/18/26/93/1084182693.db2.gz UDKVPUDNULRNOH-IRXDYDNUSA-N 2 1 305.466 3.045 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305881 1084239373 /nfs/dbraw/zinc/23/93/73/1084239373.db2.gz TVQIANFCMWKYDZ-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305881 1084239380 /nfs/dbraw/zinc/23/93/80/1084239380.db2.gz TVQIANFCMWKYDZ-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205306598 1084249115 /nfs/dbraw/zinc/24/91/15/1084249115.db2.gz YCPPCROROCGWCN-JSGCOSHPSA-N 2 1 316.367 3.310 20 0 DGADMP Cc1ccc(C[NH+]2CCCCC2)cc1NC(=N)SCC[NH3+] ZINC001167915669 1084674941 /nfs/dbraw/zinc/67/49/41/1084674941.db2.gz JQGWUYWBBLECOV-UHFFFAOYSA-N 2 1 306.479 3.019 20 0 DGADMP [NH2+]=C(Nc1ccc2c(c1)ncn2-c1ccccc1)SCC[NH3+] ZINC001167916006 1084695066 /nfs/dbraw/zinc/69/50/66/1084695066.db2.gz ZSUGGVIYJDQZAB-UHFFFAOYSA-N 2 1 311.414 3.064 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204734943 1084888900 /nfs/dbraw/zinc/88/89/00/1084888900.db2.gz GKIHYXDFPQOPGR-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(O)c1 ZINC001167964823 1085840613 /nfs/dbraw/zinc/84/06/13/1085840613.db2.gz YLZKPDGFDBPCSZ-DXJOGWAWSA-N 2 1 300.446 3.448 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(O)c1 ZINC001167964823 1085840616 /nfs/dbraw/zinc/84/06/16/1085840616.db2.gz YLZKPDGFDBPCSZ-DXJOGWAWSA-N 2 1 300.446 3.448 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(O)c1 ZINC001167964823 1085840624 /nfs/dbraw/zinc/84/06/24/1085840624.db2.gz YLZKPDGFDBPCSZ-DXJOGWAWSA-N 2 1 300.446 3.448 20 0 DGADMP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965670 1085855502 /nfs/dbraw/zinc/85/55/02/1085855502.db2.gz JWJCLNYKVJOKGZ-YQQQUEKLSA-N 2 1 314.473 3.233 20 0 DGADMP C[C@@H](C[NH+]1CCC(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967096 1085888465 /nfs/dbraw/zinc/88/84/65/1085888465.db2.gz BHEDXCHDGCBISX-OHSMVPPVSA-N 2 1 319.537 3.102 20 0 DGADMP [NH3+][C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc21 ZINC001167968580 1085897928 /nfs/dbraw/zinc/89/79/28/1085897928.db2.gz RUZFANFZIDCYTR-SUTQANCOSA-N 2 1 311.473 3.302 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973188 1085914505 /nfs/dbraw/zinc/91/45/05/1085914505.db2.gz IWMGOOWSGOZNBX-FMJMRLDVSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)CC(C)(C)CC[NH3+] ZINC001167974259 1085915720 /nfs/dbraw/zinc/91/57/20/1085915720.db2.gz STSAXDGRLWFBJA-BPIHKTFHSA-N 3 1 321.553 3.383 20 0 DGADMP CC1(C)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCO1 ZINC001167975100 1085919841 /nfs/dbraw/zinc/91/98/41/1085919841.db2.gz HAQFWOCEDZODIA-CSNJMZFVSA-N 2 1 306.494 3.187 20 0 DGADMP CC1(C)C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCO1 ZINC001167975101 1085919976 /nfs/dbraw/zinc/91/99/76/1085919976.db2.gz HAQFWOCEDZODIA-OOKSDGMUSA-N 2 1 306.494 3.187 20 0 DGADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167978644 1085928489 /nfs/dbraw/zinc/92/84/89/1085928489.db2.gz QBMWDTGPFHDOTO-DXJOGWAWSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccn1 ZINC001167978644 1085928495 /nfs/dbraw/zinc/92/84/95/1085928495.db2.gz QBMWDTGPFHDOTO-DXJOGWAWSA-N 2 1 315.461 3.146 20 0 DGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cncc(F)c1 ZINC001167981624 1085934800 /nfs/dbraw/zinc/93/48/00/1085934800.db2.gz BXVJLWONIIJKJH-UBBHGXQRSA-N 2 1 303.425 3.277 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cncc(F)c1 ZINC001167981624 1085934808 /nfs/dbraw/zinc/93/48/08/1085934808.db2.gz BXVJLWONIIJKJH-UBBHGXQRSA-N 2 1 303.425 3.277 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cncc(F)c1 ZINC001167981624 1085934814 /nfs/dbraw/zinc/93/48/14/1085934814.db2.gz BXVJLWONIIJKJH-UBBHGXQRSA-N 2 1 303.425 3.277 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005937 1086153592 /nfs/dbraw/zinc/15/35/92/1086153592.db2.gz LBFZMFJLRYPYEN-QQXMDYFESA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)COC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008288 1086169660 /nfs/dbraw/zinc/16/96/60/1086169660.db2.gz XBLNPHSIHDBNLJ-ALXJQNPVSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011920 1086228989 /nfs/dbraw/zinc/22/89/89/1086228989.db2.gz UIFXRJWLHHDLQI-HNJRGHQBSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017219 1086311564 /nfs/dbraw/zinc/31/15/64/1086311564.db2.gz XOBJIHGMFULWKF-MBBYRJAFSA-N 2 1 302.462 3.195 20 0 DGADMP COC(C)(C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001168025881 1086434182 /nfs/dbraw/zinc/43/41/82/1086434182.db2.gz KGHXRGWMGQXKJU-HOTGVXAUSA-N 2 1 320.477 3.027 20 0 DGADMP C[C@@H](CO)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168028927 1086449056 /nfs/dbraw/zinc/44/90/56/1086449056.db2.gz ROCFQEWZAQGNKG-VXIBKDFQSA-N 2 1 304.478 3.036 20 0 DGADMP CC[N@H+]1CC[C@@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033424 1086472827 /nfs/dbraw/zinc/47/28/27/1086472827.db2.gz LMBMFXASXARFNB-JENIJYKNSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1CC([N@@H+]2CCCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039346 1086498032 /nfs/dbraw/zinc/49/80/32/1086498032.db2.gz DNCWXDZFHDCMBB-IRXDYDNUSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1CC([N@H+]2CCCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039346 1086498041 /nfs/dbraw/zinc/49/80/41/1086498041.db2.gz DNCWXDZFHDCMBB-IRXDYDNUSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039907 1086500354 /nfs/dbraw/zinc/50/03/54/1086500354.db2.gz IMGPCKSJKAAEMV-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039907 1086500357 /nfs/dbraw/zinc/50/03/57/1086500357.db2.gz IMGPCKSJKAAEMV-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039907 1086500360 /nfs/dbraw/zinc/50/03/60/1086500360.db2.gz IMGPCKSJKAAEMV-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@H]1CC([N@@H+]2CC[C@H]3OCC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168049234 1086573281 /nfs/dbraw/zinc/57/32/81/1086573281.db2.gz ZHOPQQVXSOVWFU-XAMWDVODSA-N 2 1 314.473 3.291 20 0 DGADMP C[C@H]1CC([N@H+]2CC[C@H]3OCC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168049234 1086573290 /nfs/dbraw/zinc/57/32/90/1086573290.db2.gz ZHOPQQVXSOVWFU-XAMWDVODSA-N 2 1 314.473 3.291 20 0 DGADMP C[C@H]1CC([N@H+]2C[C@@H]3CCO[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063269 1086647152 /nfs/dbraw/zinc/64/71/52/1086647152.db2.gz MONVAEMXXXSZQZ-ZTTFOMCMSA-N 2 1 314.473 3.149 20 0 DGADMP COC[C@@H]1CC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063636 1086648168 /nfs/dbraw/zinc/64/81/68/1086648168.db2.gz DCOAKAKRQPPIDP-BQFCYCMXSA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@@H]1CC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063636 1086648169 /nfs/dbraw/zinc/64/81/69/1086648169.db2.gz DCOAKAKRQPPIDP-BQFCYCMXSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@H]1CC([N@@H+](C)[C@H]2CCOC2)C[C@H](C)N1Cc1ccccc1 ZINC001168067955 1086713423 /nfs/dbraw/zinc/71/34/23/1086713423.db2.gz VNJAGHONTJYHEY-BQFCYCMXSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@H]1CC([N@@H+](C)[C@H]2CCOC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067955 1086713433 /nfs/dbraw/zinc/71/34/33/1086713433.db2.gz VNJAGHONTJYHEY-BQFCYCMXSA-N 2 1 302.462 3.149 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC)C1 ZINC001088411879 1086916152 /nfs/dbraw/zinc/91/61/52/1086916152.db2.gz SOCUBMFAMGSQMK-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168136946 1086969312 /nfs/dbraw/zinc/96/93/12/1086969312.db2.gz MIMXMDFFYYBWJH-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144003 1086984632 /nfs/dbraw/zinc/98/46/32/1086984632.db2.gz STQJGLGQYCOBKQ-BEFAXECRSA-N 2 1 320.452 3.289 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144003 1086984636 /nfs/dbraw/zinc/98/46/36/1086984636.db2.gz STQJGLGQYCOBKQ-BEFAXECRSA-N 2 1 320.452 3.289 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256252 1087075325 /nfs/dbraw/zinc/07/53/25/1087075325.db2.gz CXBZFJABSIKNRO-FHWLQOOXSA-N 2 1 316.489 3.390 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)C2 ZINC001168272142 1087192125 /nfs/dbraw/zinc/19/21/25/1087192125.db2.gz GYNQHENQRDOWIH-IBGZPJMESA-N 2 1 316.489 3.215 20 0 DGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203431330 1087250505 /nfs/dbraw/zinc/25/05/05/1087250505.db2.gz ARTBSOQKKSCUEU-FPLPWBNLSA-N 2 1 323.525 3.045 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001168306078 1087288769 /nfs/dbraw/zinc/28/87/69/1087288769.db2.gz ZLKCGCBEZKEVQP-XBMUEBEBSA-N 3 1 307.526 3.103 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001168306078 1087288771 /nfs/dbraw/zinc/28/87/71/1087288771.db2.gz ZLKCGCBEZKEVQP-XBMUEBEBSA-N 3 1 307.526 3.103 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001168321580 1087293433 /nfs/dbraw/zinc/29/34/33/1087293433.db2.gz IGEWVUNBMNMGIY-ZCOZCJCESA-N 2 1 320.521 3.386 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168322997 1087293647 /nfs/dbraw/zinc/29/36/47/1087293647.db2.gz MDQFWYLJJYSFGD-ABHNRTSZSA-N 2 1 302.462 3.321 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC001168327661 1087295427 /nfs/dbraw/zinc/29/54/27/1087295427.db2.gz QTPWCZQDJAGGRB-ACBHZAAOSA-N 2 1 320.452 3.246 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168329398 1087296244 /nfs/dbraw/zinc/29/62/44/1087296244.db2.gz RVFLUOWDHOBBNU-AOCRQIFASA-N 2 1 302.462 3.357 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC001168363042 1087373695 /nfs/dbraw/zinc/37/36/95/1087373695.db2.gz RGBOJMBNKHCUPM-ZDUSSCGKSA-N 2 1 306.425 3.359 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1 ZINC001212144939 1087539914 /nfs/dbraw/zinc/53/99/14/1087539914.db2.gz HPYPUNWPBFTYBK-HNNXBMFYSA-N 2 1 302.422 3.213 20 0 DGADMP Cc1ccc(F)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212144879 1087539931 /nfs/dbraw/zinc/53/99/31/1087539931.db2.gz GCGXCAWFSQORKZ-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168379568 1087541835 /nfs/dbraw/zinc/54/18/35/1087541835.db2.gz MCUNDTABEMMLTN-IBGZPJMESA-N 2 1 300.446 3.014 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168389454 1087548608 /nfs/dbraw/zinc/54/86/08/1087548608.db2.gz QWOGBADBLVNOGK-FQEVSTJZSA-N 2 1 314.473 3.152 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151924 1087583958 /nfs/dbraw/zinc/58/39/58/1087583958.db2.gz SASDNACLDPIEJU-UHFFFAOYSA-N 3 1 309.473 3.051 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151924 1087583962 /nfs/dbraw/zinc/58/39/62/1087583962.db2.gz SASDNACLDPIEJU-UHFFFAOYSA-N 3 1 309.473 3.051 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2cccc(Br)c2)CC1 ZINC001205094373 1087784456 /nfs/dbraw/zinc/78/44/56/1087784456.db2.gz LSBGGZALCWTDRR-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001205123932 1088024168 /nfs/dbraw/zinc/02/41/68/1088024168.db2.gz HMPRQKRFDNSGMD-CQSZACIVSA-N 2 1 305.809 3.308 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001205123932 1088024185 /nfs/dbraw/zinc/02/41/85/1088024185.db2.gz HMPRQKRFDNSGMD-CQSZACIVSA-N 2 1 305.809 3.308 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCOCc1ccccc1 ZINC000699652426 1088246701 /nfs/dbraw/zinc/24/67/01/1088246701.db2.gz APJFLTTWBNESPY-MRXNPFEDSA-N 2 1 301.434 3.167 20 0 DGADMP Nc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001159288806 1088271440 /nfs/dbraw/zinc/27/14/40/1088271440.db2.gz WBRXCPDMQVNCTH-OSYLJGHBSA-N 2 1 308.429 3.271 20 0 DGADMP Cc1cc2c(nc[nH+]c2NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH]1 ZINC001159397157 1088335311 /nfs/dbraw/zinc/33/53/11/1088335311.db2.gz GSGMRWZSIADQQC-UHFFFAOYSA-N 2 1 301.438 3.330 20 0 DGADMP C[N@@H+]1Cc2c(NC3=CC[NH2+]C3)cccc2[C@H](c2ccccc2)C1 ZINC001159807011 1088499879 /nfs/dbraw/zinc/49/98/79/1088499879.db2.gz IVDZFKWYBWREFX-SFHVURJKSA-N 2 1 305.425 3.163 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236066815 1088578260 /nfs/dbraw/zinc/57/82/60/1088578260.db2.gz LCLCQBDKGJYJQE-LBPRGKRZSA-N 2 1 304.381 3.340 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236066815 1088578278 /nfs/dbraw/zinc/57/82/78/1088578278.db2.gz LCLCQBDKGJYJQE-LBPRGKRZSA-N 2 1 304.381 3.340 20 0 DGADMP [NH3+][C@@H]1CCCN(c2ccc(Nc3cc[nH+]c4ccccc34)cc2)C1 ZINC001159980030 1088584934 /nfs/dbraw/zinc/58/49/34/1088584934.db2.gz ADNPAJQOMVIFEO-OAHLLOKOSA-N 2 1 318.424 3.328 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001154984037 1088871178 /nfs/dbraw/zinc/87/11/78/1088871178.db2.gz DGCFSMXBPNRPFL-HZPDHXFCSA-N 2 1 321.428 3.161 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001154989315 1088878393 /nfs/dbraw/zinc/87/83/93/1088878393.db2.gz NGEBQCBJHQMKKZ-GVDBMIGSSA-N 2 1 302.466 3.310 20 0 DGADMP Cc1[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)cc2[nH]ccc21 ZINC001155096508 1088942358 /nfs/dbraw/zinc/94/23/58/1088942358.db2.gz RVLLKKDSSCIFAB-IBGZPJMESA-N 2 1 318.424 3.291 20 0 DGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC1=CCCCC1)[NH+](C)C ZINC001155289780 1089047642 /nfs/dbraw/zinc/04/76/42/1089047642.db2.gz YFNMBBIWFRBGRT-AEFFLSMTSA-N 2 1 323.525 3.044 20 0 DGADMP c1cc(C[NH+]2CCC(Nc3ccc4c([nH+]3)CCCC4)CC2)ccn1 ZINC001161101248 1089115476 /nfs/dbraw/zinc/11/54/76/1089115476.db2.gz SCGYNNCGADTKJN-UHFFFAOYSA-N 2 1 322.456 3.432 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC001206674781 1089190819 /nfs/dbraw/zinc/19/08/19/1089190819.db2.gz XDEDNDGHUZWBNS-QZTJIDSGSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC001206674781 1089190829 /nfs/dbraw/zinc/19/08/29/1089190829.db2.gz XDEDNDGHUZWBNS-QZTJIDSGSA-N 2 1 316.489 3.387 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCC)CC1 ZINC001161496768 1089263081 /nfs/dbraw/zinc/26/30/81/1089263081.db2.gz FVBAAKIKDVRKSR-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCC)CC1 ZINC001161496768 1089263093 /nfs/dbraw/zinc/26/30/93/1089263093.db2.gz FVBAAKIKDVRKSR-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001161496768 1089263101 /nfs/dbraw/zinc/26/31/01/1089263101.db2.gz FVBAAKIKDVRKSR-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(N(CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)c12 ZINC001161676890 1089338837 /nfs/dbraw/zinc/33/88/37/1089338837.db2.gz BZIJMWPGFLIWOI-HDJSIYSDSA-N 2 1 315.465 3.389 20 0 DGADMP C[NH+](C)Cc1ccnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001161885999 1089455121 /nfs/dbraw/zinc/45/51/21/1089455121.db2.gz LDNXSRJJXDGKAQ-IBGZPJMESA-N 2 1 324.472 3.220 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NCC[C@H]1CCC[N@H+](C)C1 ZINC001156388442 1089499477 /nfs/dbraw/zinc/49/94/77/1089499477.db2.gz JNCAAZMVQUEYPQ-CQSZACIVSA-N 2 1 301.438 3.156 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NCC[C@H]1CCC[N@@H+](C)C1 ZINC001156388442 1089499479 /nfs/dbraw/zinc/49/94/79/1089499479.db2.gz JNCAAZMVQUEYPQ-CQSZACIVSA-N 2 1 301.438 3.156 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC001162402680 1089718045 /nfs/dbraw/zinc/71/80/45/1089718045.db2.gz VLHSWYZCGQVWKN-VXGBXAGGSA-N 2 1 320.234 3.101 20 0 DGADMP C[C@H]([NH3+])c1nc2ccccc2n1-c1cc[nH+]cc1C(F)(F)F ZINC001162767354 1089941813 /nfs/dbraw/zinc/94/18/13/1089941813.db2.gz VSIPRBYIEBHVNW-VIFPVBQESA-N 2 1 306.291 3.459 20 0 DGADMP CCC(=O)Nc1cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)cc[nH+]1 ZINC001162912910 1090022623 /nfs/dbraw/zinc/02/26/23/1090022623.db2.gz AGVLIAUVJBSDOV-LBPRGKRZSA-N 2 1 308.385 3.394 20 0 DGADMP CCCC(C[NH3+])(CCC)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC001163040277 1090059938 /nfs/dbraw/zinc/05/99/38/1090059938.db2.gz ITNOCKJANKYCTM-UHFFFAOYSA-N 2 1 305.470 3.177 20 0 DGADMP Cc1cc([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1N(C)C ZINC001163063736 1090067861 /nfs/dbraw/zinc/06/78/61/1090067861.db2.gz KYAJRBNRURHTJD-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP CCC[NH+]1C[C@H]2CN(c3cc4cc(OC)ccc4c[nH+]3)C[C@@H]2C1 ZINC001157693218 1090078075 /nfs/dbraw/zinc/07/80/75/1090078075.db2.gz XMLWVEBADUJREH-IRXDYDNUSA-N 2 1 311.429 3.021 20 0 DGADMP Cc1ccc2c(C)cc(NCc3noc4c3C[NH2+]CC4)[nH+]c2c1 ZINC001163129680 1090085231 /nfs/dbraw/zinc/08/52/31/1090085231.db2.gz MDDVHKSUXVZJOP-UHFFFAOYSA-N 2 1 308.385 3.097 20 0 DGADMP COC(=O)c1c(C)cc(C)nc1N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163361064 1090161546 /nfs/dbraw/zinc/16/15/46/1090161546.db2.gz GPTVCSIVHAYLBF-UKRRQHHQSA-N 2 1 319.449 3.016 20 0 DGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc(C[NH+](C)C3CC3)cn2)[C@H](C)C1 ZINC001163368711 1090166728 /nfs/dbraw/zinc/16/67/28/1090166728.db2.gz BCVGHPSRTJEKCO-QAPCUYQASA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@H](Nc2ccc(C[N@H+](C)C3CC3)cn2)[C@H](C)C1 ZINC001163368711 1090166731 /nfs/dbraw/zinc/16/67/31/1090166731.db2.gz BCVGHPSRTJEKCO-QAPCUYQASA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@H](Nc2ccc(C[N@@H+](C)C3CC3)cn2)[C@H](C)C1 ZINC001163368711 1090166734 /nfs/dbraw/zinc/16/67/34/1090166734.db2.gz BCVGHPSRTJEKCO-QAPCUYQASA-N 2 1 316.493 3.207 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)[C@@H]2CC[NH2+]C2)nc1 ZINC001158035110 1090176904 /nfs/dbraw/zinc/17/69/04/1090176904.db2.gz PRFOYCQRHMWOAE-QZTJIDSGSA-N 2 1 316.493 3.205 20 0 DGADMP Cn1ccc2cc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)c21 ZINC001163909159 1090284458 /nfs/dbraw/zinc/28/44/58/1090284458.db2.gz KUODZKTUCTZODY-UHFFFAOYSA-N 2 1 321.428 3.047 20 0 DGADMP Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]c1N ZINC001164486483 1090431445 /nfs/dbraw/zinc/43/14/45/1090431445.db2.gz ONIJFDYVRSGUNL-FGTMMUONSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1nc(C)c(C)c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001165083593 1090461900 /nfs/dbraw/zinc/46/19/00/1090461900.db2.gz YQUFSWAGTJZGOH-MOPGFXCFSA-N 2 1 322.456 3.113 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CC[NH+]2CCCC2)nc1 ZINC001165142135 1090471480 /nfs/dbraw/zinc/47/14/80/1090471480.db2.gz WLKBTCFQAAHWNX-GOSISDBHSA-N 2 1 316.493 3.161 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(NCC[C@@H]3CCC[NH+](C)C3)cc2)C1 ZINC001165300939 1090499626 /nfs/dbraw/zinc/49/96/26/1090499626.db2.gz VBNFCYAHGIVKKA-FUHWJXTLSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@@H](c2ccc(NCC[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001165300939 1090499628 /nfs/dbraw/zinc/49/96/28/1090499628.db2.gz VBNFCYAHGIVKKA-FUHWJXTLSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@@H](c2ccc(NCC[C@@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001165300939 1090499630 /nfs/dbraw/zinc/49/96/30/1090499630.db2.gz VBNFCYAHGIVKKA-FUHWJXTLSA-N 2 1 301.478 3.250 20 0 DGADMP CCCCSCCC(=O)Nc1cnccc1-n1ccnc1C ZINC001116114639 1090627577 /nfs/dbraw/zinc/62/75/77/1090627577.db2.gz YEIOZFHKEUUAQG-UHFFFAOYSA-N 2 1 318.446 3.438 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168667964 1090689112 /nfs/dbraw/zinc/68/91/12/1090689112.db2.gz BKPMLFAHGORONQ-IEBWSBKVSA-N 2 1 320.477 3.189 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001486188705 1090782557 /nfs/dbraw/zinc/78/25/57/1090782557.db2.gz XVFYVIIMCPKBRV-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC001203743199 1090794300 /nfs/dbraw/zinc/79/43/00/1090794300.db2.gz NMSDOOUEBGNTIX-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867848 1090824498 /nfs/dbraw/zinc/82/44/98/1090824498.db2.gz RWWQNYKTEKGVFZ-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867848 1090824500 /nfs/dbraw/zinc/82/45/00/1090824500.db2.gz RWWQNYKTEKGVFZ-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867848 1090824501 /nfs/dbraw/zinc/82/45/01/1090824501.db2.gz RWWQNYKTEKGVFZ-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867848 1090824503 /nfs/dbraw/zinc/82/45/03/1090824503.db2.gz RWWQNYKTEKGVFZ-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC001203874100 1090825570 /nfs/dbraw/zinc/82/55/70/1090825570.db2.gz OACAVKVHIWLMBY-UHFFFAOYSA-N 2 1 306.450 3.097 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC001203874100 1090825572 /nfs/dbraw/zinc/82/55/72/1090825572.db2.gz OACAVKVHIWLMBY-UHFFFAOYSA-N 2 1 306.450 3.097 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001203890381 1090828502 /nfs/dbraw/zinc/82/85/02/1090828502.db2.gz HACQKAOPFHOGDE-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203890381 1090828506 /nfs/dbraw/zinc/82/85/06/1090828506.db2.gz HACQKAOPFHOGDE-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203890381 1090828513 /nfs/dbraw/zinc/82/85/13/1090828513.db2.gz HACQKAOPFHOGDE-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203890381 1090828516 /nfs/dbraw/zinc/82/85/16/1090828516.db2.gz HACQKAOPFHOGDE-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203890381 1090828520 /nfs/dbraw/zinc/82/85/20/1090828520.db2.gz HACQKAOPFHOGDE-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004913 1090865072 /nfs/dbraw/zinc/86/50/72/1090865072.db2.gz IYQHQQGMCQZWGA-LSTHTHJFSA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004913 1090865077 /nfs/dbraw/zinc/86/50/77/1090865077.db2.gz IYQHQQGMCQZWGA-LSTHTHJFSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004913 1090865082 /nfs/dbraw/zinc/86/50/82/1090865082.db2.gz IYQHQQGMCQZWGA-LSTHTHJFSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004913 1090865088 /nfs/dbraw/zinc/86/50/88/1090865088.db2.gz IYQHQQGMCQZWGA-LSTHTHJFSA-N 2 1 324.472 3.142 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204065338 1090888952 /nfs/dbraw/zinc/88/89/52/1090888952.db2.gz GAYHFNCVLMFHFJ-WOJBJXKFSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204065338 1090888959 /nfs/dbraw/zinc/88/89/59/1090888959.db2.gz GAYHFNCVLMFHFJ-WOJBJXKFSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204065338 1090888965 /nfs/dbraw/zinc/88/89/65/1090888965.db2.gz GAYHFNCVLMFHFJ-WOJBJXKFSA-N 2 1 321.468 3.426 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168698091 1090921299 /nfs/dbraw/zinc/92/12/99/1090921299.db2.gz JSNKELKBGYVXJR-JONQDZQNSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168698091 1090921303 /nfs/dbraw/zinc/92/13/03/1090921303.db2.gz JSNKELKBGYVXJR-JONQDZQNSA-N 2 1 304.865 3.412 20 0 DGADMP c1[nH]nc2cccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c12 ZINC001143095232 1090927805 /nfs/dbraw/zinc/92/78/05/1090927805.db2.gz GRGCVMZJVQFHIG-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP CC/C=C\CCC[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276465978 1090972932 /nfs/dbraw/zinc/97/29/32/1090972932.db2.gz VMQIMNMVSUDHJW-ZYHOBAKYSA-N 2 1 307.526 3.319 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3F)C2)CC1 ZINC001204470026 1090976499 /nfs/dbraw/zinc/97/64/99/1090976499.db2.gz SPMVSIGDAXMAJZ-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP CCC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)[C@H](C)CC ZINC001204630821 1091009611 /nfs/dbraw/zinc/00/96/11/1091009611.db2.gz YCKMRRSEGVPFHY-QGZVFWFLSA-N 2 1 303.494 3.102 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735575 1091025394 /nfs/dbraw/zinc/02/53/94/1091025394.db2.gz YDARWOZAPSVMMA-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP CCCOc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735396 1091025730 /nfs/dbraw/zinc/02/57/30/1091025730.db2.gz SOGSBNHRJYCSIE-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3Cc4cccc(Cl)c4C3)C2)CC1 ZINC001168738296 1091029694 /nfs/dbraw/zinc/02/96/94/1091029694.db2.gz JVMPOTWUFLBKQH-HNNXBMFYSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001205015783 1091084151 /nfs/dbraw/zinc/08/41/51/1091084151.db2.gz FQVNEYIMSATCHN-KRWDZBQOSA-N 3 1 313.489 3.119 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001205015783 1091084153 /nfs/dbraw/zinc/08/41/53/1091084153.db2.gz FQVNEYIMSATCHN-KRWDZBQOSA-N 3 1 313.489 3.119 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001205089057 1091099890 /nfs/dbraw/zinc/09/98/90/1091099890.db2.gz WSMOKKBPDMAUSV-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094853 1091101117 /nfs/dbraw/zinc/10/11/17/1091101117.db2.gz RGPAZEBPIOUEGE-QZTJIDSGSA-N 2 1 308.510 3.467 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC001205110628 1091105816 /nfs/dbraw/zinc/10/58/16/1091105816.db2.gz XGXWCHFWAKQZAB-CYBMUJFWSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC1 ZINC001205124396 1091108258 /nfs/dbraw/zinc/10/82/58/1091108258.db2.gz PZEVXTCSSIYBIV-HNNXBMFYSA-N 2 1 317.383 3.340 20 0 DGADMP Cc1cccc2cc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc12 ZINC001205146394 1091112638 /nfs/dbraw/zinc/11/26/38/1091112638.db2.gz UCNIXBXOVBEIMC-SWLSCSKDSA-N 2 1 303.837 3.223 20 0 DGADMP Cc1cccc2cc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc12 ZINC001205146394 1091112641 /nfs/dbraw/zinc/11/26/41/1091112641.db2.gz UCNIXBXOVBEIMC-SWLSCSKDSA-N 2 1 303.837 3.223 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(COc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC001205151493 1091113307 /nfs/dbraw/zinc/11/33/07/1091113307.db2.gz VOHUQGBEQLKNHH-QFBILLFUSA-N 2 1 310.441 3.292 20 0 DGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cn2)c1C ZINC001205151541 1091113355 /nfs/dbraw/zinc/11/33/55/1091113355.db2.gz WRMJXPRZIOWKNB-MAUKXSAKSA-N 2 1 309.457 3.392 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001205231183 1091139717 /nfs/dbraw/zinc/13/97/17/1091139717.db2.gz XLZMGPOAFYSVAM-HXUWFJFHSA-N 2 1 324.424 3.262 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC001205229693 1091140405 /nfs/dbraw/zinc/14/04/05/1091140405.db2.gz OGCAEQUPXCXIPO-FQEVSTJZSA-N 2 1 310.441 3.029 20 0 DGADMP C[C@]1([NH3+])CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205255091 1091151215 /nfs/dbraw/zinc/15/12/15/1091151215.db2.gz GPRJTNCPHZQXQF-PMACEKPBSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255091 1091151220 /nfs/dbraw/zinc/15/12/20/1091151220.db2.gz GPRJTNCPHZQXQF-PMACEKPBSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255091 1091151228 /nfs/dbraw/zinc/15/12/28/1091151228.db2.gz GPRJTNCPHZQXQF-PMACEKPBSA-N 2 1 315.505 3.244 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1OC(C)C ZINC001205264308 1091154743 /nfs/dbraw/zinc/15/47/43/1091154743.db2.gz JQUSVXYUOIGETD-SFHVURJKSA-N 2 1 306.450 3.186 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2N2CCCCC2)CC1 ZINC001205264060 1091155579 /nfs/dbraw/zinc/15/55/79/1091155579.db2.gz HINCSPRERCGOKI-LJQANCHMSA-N 2 1 301.478 3.380 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205265670 1091157541 /nfs/dbraw/zinc/15/75/41/1091157541.db2.gz QPRZOHNQUAFIQO-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205265670 1091157547 /nfs/dbraw/zinc/15/75/47/1091157547.db2.gz QPRZOHNQUAFIQO-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC001205296298 1091169266 /nfs/dbraw/zinc/16/92/66/1091169266.db2.gz LGAAHIDWRVOFFI-NEPJUHHUSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC001205296298 1091169274 /nfs/dbraw/zinc/16/92/74/1091169274.db2.gz LGAAHIDWRVOFFI-NEPJUHHUSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)C[C@H]1C[NH3+] ZINC001205303454 1091173001 /nfs/dbraw/zinc/17/30/01/1091173001.db2.gz FVKSFBXKXQZIMT-CZUORRHYSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303387 1091173654 /nfs/dbraw/zinc/17/36/54/1091173654.db2.gz DLZOMTFNJXHPPI-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303387 1091173657 /nfs/dbraw/zinc/17/36/57/1091173657.db2.gz DLZOMTFNJXHPPI-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)C[C@H]1C[NH3+] ZINC001205304047 1091174802 /nfs/dbraw/zinc/17/48/02/1091174802.db2.gz NFJVVVUWKQMILQ-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)C[C@H]1C[NH3+] ZINC001205304047 1091174810 /nfs/dbraw/zinc/17/48/10/1091174810.db2.gz NFJVVVUWKQMILQ-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1ccc2[nH]c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC001138419461 1091176886 /nfs/dbraw/zinc/17/68/86/1091176886.db2.gz SXMLJIOJRGMODL-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306561 1091177085 /nfs/dbraw/zinc/17/70/85/1091177085.db2.gz XLTDFPCGXRATLV-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306561 1091177088 /nfs/dbraw/zinc/17/70/88/1091177088.db2.gz XLTDFPCGXRATLV-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c2)cc1 ZINC001205315952 1091180492 /nfs/dbraw/zinc/18/04/92/1091180492.db2.gz ICUSBPICFVXIQF-UZLBHIALSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C[C@H]1C[NH3+] ZINC001205317164 1091182041 /nfs/dbraw/zinc/18/20/41/1091182041.db2.gz MWOLZGALONAZHO-WMLDXEAASA-N 2 1 313.420 3.304 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205318113 1091182403 /nfs/dbraw/zinc/18/24/03/1091182403.db2.gz RURBWEJFRIRRKH-QFBILLFUSA-N 2 1 309.457 3.474 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205318528 1091183742 /nfs/dbraw/zinc/18/37/42/1091183742.db2.gz VQCGVZZFJLSOTR-YJBOKZPZSA-N 3 1 313.489 3.105 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205318528 1091183744 /nfs/dbraw/zinc/18/37/44/1091183744.db2.gz VQCGVZZFJLSOTR-YJBOKZPZSA-N 2 1 313.489 3.105 20 0 DGADMP CC(C)(C)[C@]1(C[NH2+][C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205415006 1091216266 /nfs/dbraw/zinc/21/62/66/1091216266.db2.gz UMZOPHFLZZMFKK-ICSRJNTNSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138528612 1091217089 /nfs/dbraw/zinc/21/70/89/1091217089.db2.gz ZPAYEPWHBJHDSD-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138528612 1091217097 /nfs/dbraw/zinc/21/70/97/1091217097.db2.gz ZPAYEPWHBJHDSD-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138528612 1091217108 /nfs/dbraw/zinc/21/71/08/1091217108.db2.gz ZPAYEPWHBJHDSD-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2ccnc2C)cc1 ZINC001138550174 1091225664 /nfs/dbraw/zinc/22/56/64/1091225664.db2.gz MNLZLGOGTMNMCQ-UHFFFAOYSA-N 2 1 314.477 3.344 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001205545845 1091247962 /nfs/dbraw/zinc/24/79/62/1091247962.db2.gz NTNVBRKXGKWHCR-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1CC ZINC001205559750 1091253091 /nfs/dbraw/zinc/25/30/91/1091253091.db2.gz UKODGUPQXBYELK-GOSISDBHSA-N 2 1 308.441 3.301 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001205570292 1091260537 /nfs/dbraw/zinc/26/05/37/1091260537.db2.gz HURBVLVLJLQWLK-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001205570292 1091260545 /nfs/dbraw/zinc/26/05/45/1091260545.db2.gz HURBVLVLJLQWLK-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC(C)C)c1 ZINC001205581493 1091265410 /nfs/dbraw/zinc/26/54/10/1091265410.db2.gz URCSWGPJMHFCFF-GOSISDBHSA-N 2 1 324.440 3.135 20 0 DGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205581536 1091266385 /nfs/dbraw/zinc/26/63/85/1091266385.db2.gz VHRBFEZSHMSQNE-OAHLLOKOSA-N 2 1 302.796 3.440 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205581956 1091266632 /nfs/dbraw/zinc/26/66/32/1091266632.db2.gz VTONTVJDPUOZKZ-SFHVURJKSA-N 2 1 324.440 3.135 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592464 1091269852 /nfs/dbraw/zinc/26/98/52/1091269852.db2.gz UOJAYSDYIWXEMF-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1OC(C)C ZINC001205592555 1091270707 /nfs/dbraw/zinc/27/07/07/1091270707.db2.gz WBOLBPPHYVSCIR-GOSISDBHSA-N 2 1 308.441 3.435 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCCOCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205603635 1091276034 /nfs/dbraw/zinc/27/60/34/1091276034.db2.gz RJVPQOKOKVLTGO-MJGOQNOKSA-N 2 1 304.478 3.290 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1OCC ZINC001205616598 1091282082 /nfs/dbraw/zinc/28/20/82/1091282082.db2.gz GMPTVPHFABRJHG-NVXWUHKLSA-N 2 1 320.477 3.291 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(CC)c1O ZINC001205626638 1091285714 /nfs/dbraw/zinc/28/57/14/1091285714.db2.gz HJLUMTHHXSWLRP-KSSFIOAISA-N 2 1 304.478 3.324 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138682798 1091286020 /nfs/dbraw/zinc/28/60/20/1091286020.db2.gz BAYULEUOWFBALF-KDURUIRLSA-N 2 1 310.416 3.486 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138682798 1091286025 /nfs/dbraw/zinc/28/60/25/1091286025.db2.gz BAYULEUOWFBALF-KDURUIRLSA-N 2 1 310.416 3.486 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205626694 1091286283 /nfs/dbraw/zinc/28/62/83/1091286283.db2.gz IEQXHWHIHXSDSU-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205638784 1091292514 /nfs/dbraw/zinc/29/25/14/1091292514.db2.gz RXNPWKVCDWVLOL-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CC[C@@H]1C[NH3+] ZINC001205651144 1091296313 /nfs/dbraw/zinc/29/63/13/1091296313.db2.gz AOFGJQARLSPOJX-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1C ZINC001205654544 1091297564 /nfs/dbraw/zinc/29/75/64/1091297564.db2.gz XCUWIBIDEFBLJB-QAPCUYQASA-N 2 1 319.493 3.376 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2csc(-c3ccncc3)n2)CC[C@@H]1C[NH3+] ZINC001205653369 1091297975 /nfs/dbraw/zinc/29/79/75/1091297975.db2.gz TZLAPSAQFDZTNH-DZGCQCFKSA-N 2 1 316.474 3.012 20 0 DGADMP c1nocc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001205763961 1091336477 /nfs/dbraw/zinc/33/64/77/1091336477.db2.gz WGESUAYQLBFHFD-RBUKOAKNSA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001205763961 1091336487 /nfs/dbraw/zinc/33/64/87/1091336487.db2.gz WGESUAYQLBFHFD-RBUKOAKNSA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001205763961 1091336495 /nfs/dbraw/zinc/33/64/95/1091336495.db2.gz WGESUAYQLBFHFD-RBUKOAKNSA-N 2 1 311.429 3.019 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205768167 1091339247 /nfs/dbraw/zinc/33/92/47/1091339247.db2.gz DEJQYHIOTWEKBO-AWEZNQCLSA-N 2 1 307.388 3.077 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(C)c1C ZINC001205771631 1091340926 /nfs/dbraw/zinc/34/09/26/1091340926.db2.gz UKQBAGRIDWHJAQ-AWEZNQCLSA-N 2 1 312.404 3.036 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(C)c1C ZINC001205771631 1091340937 /nfs/dbraw/zinc/34/09/37/1091340937.db2.gz UKQBAGRIDWHJAQ-AWEZNQCLSA-N 2 1 312.404 3.036 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2-c2cccnc2)CCC1(F)F ZINC001205771240 1091341471 /nfs/dbraw/zinc/34/14/71/1091341471.db2.gz SPNGQJOKVIWWCL-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2-c2cccnc2)CCC1(F)F ZINC001205771240 1091341485 /nfs/dbraw/zinc/34/14/85/1091341485.db2.gz SPNGQJOKVIWWCL-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2ccccc2n1 ZINC001138865403 1091359810 /nfs/dbraw/zinc/35/98/10/1091359810.db2.gz IXVQJRDHXHWBAD-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2ccccc2n1 ZINC001138865403 1091359820 /nfs/dbraw/zinc/35/98/20/1091359820.db2.gz IXVQJRDHXHWBAD-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC001138865403 1091359828 /nfs/dbraw/zinc/35/98/28/1091359828.db2.gz IXVQJRDHXHWBAD-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC001138865403 1091359836 /nfs/dbraw/zinc/35/98/36/1091359836.db2.gz IXVQJRDHXHWBAD-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP Cc1cccnc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205813804 1091362927 /nfs/dbraw/zinc/36/29/27/1091362927.db2.gz JRSDBTWRPPYUQZ-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205813804 1091362939 /nfs/dbraw/zinc/36/29/39/1091362939.db2.gz JRSDBTWRPPYUQZ-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205813804 1091362949 /nfs/dbraw/zinc/36/29/49/1091362949.db2.gz JRSDBTWRPPYUQZ-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205813804 1091362960 /nfs/dbraw/zinc/36/29/60/1091362960.db2.gz JRSDBTWRPPYUQZ-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205813804 1091362971 /nfs/dbraw/zinc/36/29/71/1091362971.db2.gz JRSDBTWRPPYUQZ-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830804 1091372879 /nfs/dbraw/zinc/37/28/79/1091372879.db2.gz VHVPNWWFAOVYDD-FOIQADDNSA-N 2 1 311.473 3.465 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830804 1091372883 /nfs/dbraw/zinc/37/28/83/1091372883.db2.gz VHVPNWWFAOVYDD-FOIQADDNSA-N 2 1 311.473 3.465 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205901026 1091399331 /nfs/dbraw/zinc/39/93/31/1091399331.db2.gz APWULAZDXFETER-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205901026 1091399340 /nfs/dbraw/zinc/39/93/40/1091399340.db2.gz APWULAZDXFETER-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904910 1091403856 /nfs/dbraw/zinc/40/38/56/1091403856.db2.gz YIVGXLCCPRPROQ-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904910 1091403863 /nfs/dbraw/zinc/40/38/63/1091403863.db2.gz YIVGXLCCPRPROQ-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904909 1091404106 /nfs/dbraw/zinc/40/41/06/1091404106.db2.gz YIVGXLCCPRPROQ-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904909 1091404112 /nfs/dbraw/zinc/40/41/12/1091404112.db2.gz YIVGXLCCPRPROQ-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP CCOc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OCC)c1 ZINC001138979688 1091406214 /nfs/dbraw/zinc/40/62/14/1091406214.db2.gz HSSKUNXCKYXIKG-LJQANCHMSA-N 2 1 318.461 3.012 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205913201 1091407100 /nfs/dbraw/zinc/40/71/00/1091407100.db2.gz HOYLUEFDXUDCDT-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205913201 1091407104 /nfs/dbraw/zinc/40/71/04/1091407104.db2.gz HOYLUEFDXUDCDT-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205914427 1091408916 /nfs/dbraw/zinc/40/89/16/1091408916.db2.gz LWDXJVSDMTTXQP-PBHICJAKSA-N 2 1 313.420 3.447 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)cc2c1 ZINC001205917488 1091411071 /nfs/dbraw/zinc/41/10/71/1091411071.db2.gz YYBGIARPYYEHLE-STQMWFEESA-N 2 1 304.459 3.469 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001205916128 1091411601 /nfs/dbraw/zinc/41/16/01/1091411601.db2.gz RYMLTOSSQGNBEC-WMLDXEAASA-N 2 1 302.462 3.349 20 0 DGADMP [NH3+][C@H]1CCCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001205925155 1091415905 /nfs/dbraw/zinc/41/59/05/1091415905.db2.gz VZAYLGASRXOQHM-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@H]1CCCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001205925155 1091415900 /nfs/dbraw/zinc/41/59/00/1091415900.db2.gz VZAYLGASRXOQHM-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001205925169 1091415938 /nfs/dbraw/zinc/41/59/38/1091415938.db2.gz WBGOBDUMLIXLJE-YOEHRIQHSA-N 2 1 313.420 3.447 20 0 DGADMP Cc1ncc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)o1 ZINC001276485955 1091430779 /nfs/dbraw/zinc/43/07/79/1091430779.db2.gz WOKQTSOTHVVSJY-UHFFFAOYSA-N 2 1 303.450 3.214 20 0 DGADMP C[C@H]1C[N@@H+](CCCCOCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205984186 1091435825 /nfs/dbraw/zinc/43/58/25/1091435825.db2.gz RKJQBRSDOFADGN-HKUYNNGSSA-N 2 1 304.478 3.290 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CCC[C@H]1C[NH3+] ZINC001205993550 1091439734 /nfs/dbraw/zinc/43/97/34/1091439734.db2.gz IBPZIQMSQQORKA-IRXDYDNUSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001205994119 1091440256 /nfs/dbraw/zinc/44/02/56/1091440256.db2.gz JLKHEXATEYRCJY-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205994329 1091441289 /nfs/dbraw/zinc/44/12/89/1091441289.db2.gz KUUMTQWBRLWPAQ-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205996404 1091441341 /nfs/dbraw/zinc/44/13/41/1091441341.db2.gz WVWLVKBSPGCXLE-TZMCWYRMSA-N 2 1 303.425 3.422 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003170 1091443994 /nfs/dbraw/zinc/44/39/94/1091443994.db2.gz FRHZIFHPYMOUTR-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC001206003889 1091445459 /nfs/dbraw/zinc/44/54/59/1091445459.db2.gz NJUVSYQUQLIZBB-WBVHZDCISA-N 2 1 320.477 3.291 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cscc2Br)CCC[C@@H]1C[NH3+] ZINC001206005335 1091445774 /nfs/dbraw/zinc/44/57/74/1091445774.db2.gz XUJXPVDAGDHCLL-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206014049 1091451787 /nfs/dbraw/zinc/45/17/87/1091451787.db2.gz VRNCPXZGHCYCFC-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4ccn(CC)c4c3)C[C@H]2C1 ZINC001139120036 1091455276 /nfs/dbraw/zinc/45/52/76/1091455276.db2.gz JFZQHQQGTRNMGA-RTBURBONSA-N 2 1 311.473 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(N3CCCC3)c2)CCC[C@H]1C[NH3+] ZINC001206022464 1091455637 /nfs/dbraw/zinc/45/56/37/1091455637.db2.gz CEWKMABGMRWBOJ-WMZOPIPTSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(N3CCCC3)c2)CCC[C@@H]1C[NH3+] ZINC001206022461 1091455856 /nfs/dbraw/zinc/45/58/56/1091455856.db2.gz CEWKMABGMRWBOJ-SJLPKXTDSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206025860 1091457074 /nfs/dbraw/zinc/45/70/74/1091457074.db2.gz POUXFVTZJOAMDD-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2F)CCC[C@@H]1C[NH3+] ZINC001206026429 1091457350 /nfs/dbraw/zinc/45/73/50/1091457350.db2.gz RXPBOQPPCNKXAC-VXGBXAGGSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001206049968 1091468847 /nfs/dbraw/zinc/46/88/47/1091468847.db2.gz VZOVXTWQORXQNF-WQVCFCJDSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001206049968 1091468852 /nfs/dbraw/zinc/46/88/52/1091468852.db2.gz VZOVXTWQORXQNF-WQVCFCJDSA-N 2 1 312.379 3.453 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3sccc3Br)C2)CC1 ZINC001139314037 1091516511 /nfs/dbraw/zinc/51/65/11/1091516511.db2.gz DLKBRMGMRAMGSX-UHFFFAOYSA-N 2 1 315.280 3.038 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2nonc2c1 ZINC001139222840 1091493678 /nfs/dbraw/zinc/49/36/78/1091493678.db2.gz WDLZKCJPOCVYDG-JKSUJKDBSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2nonc2c1 ZINC001139222840 1091493686 /nfs/dbraw/zinc/49/36/86/1091493686.db2.gz WDLZKCJPOCVYDG-JKSUJKDBSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2nonc2c1 ZINC001139222840 1091493693 /nfs/dbraw/zinc/49/36/93/1091493693.db2.gz WDLZKCJPOCVYDG-JKSUJKDBSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(Oc4ccccc4)nc3)C2)CC1 ZINC001139247368 1091499668 /nfs/dbraw/zinc/49/96/68/1091499668.db2.gz BPNJRWQFBDZCHE-UHFFFAOYSA-N 2 1 323.440 3.402 20 0 DGADMP COc1ccc2ccccc2c1CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206157150 1091512259 /nfs/dbraw/zinc/51/22/59/1091512259.db2.gz WQSVKERIDHTUOK-IAGOWNOFSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206157150 1091512266 /nfs/dbraw/zinc/51/22/66/1091512266.db2.gz WQSVKERIDHTUOK-IAGOWNOFSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206157150 1091512271 /nfs/dbraw/zinc/51/22/71/1091512271.db2.gz WQSVKERIDHTUOK-IAGOWNOFSA-N 2 1 302.393 3.110 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc2O1 ZINC001206172803 1091519761 /nfs/dbraw/zinc/51/97/61/1091519761.db2.gz CBXBSLAKXONOJB-HZPDHXFCSA-N 2 1 306.425 3.051 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@@H]1F ZINC001206197017 1091529964 /nfs/dbraw/zinc/52/99/64/1091529964.db2.gz FZOJVJSFXMWERU-GJZGRUSLSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@@H]1F ZINC001206197017 1091529976 /nfs/dbraw/zinc/52/99/76/1091529976.db2.gz FZOJVJSFXMWERU-GJZGRUSLSA-N 2 1 307.800 3.149 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206198009 1091533358 /nfs/dbraw/zinc/53/33/58/1091533358.db2.gz KSPWEJKQTQRQJV-IRXDYDNUSA-N 2 1 324.440 3.019 20 0 DGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297248 1091566145 /nfs/dbraw/zinc/56/61/45/1091566145.db2.gz WYQIHIKAHQIPMV-HNAYVOBHSA-N 2 1 318.461 3.045 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c2ccccc21 ZINC001206303633 1091570045 /nfs/dbraw/zinc/57/00/45/1091570045.db2.gz FPNZBHVDXROZKH-LJQANCHMSA-N 2 1 313.445 3.252 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206324373 1091579451 /nfs/dbraw/zinc/57/94/51/1091579451.db2.gz AJGFRQHIFHNALJ-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)ccnc12 ZINC001206326931 1091580466 /nfs/dbraw/zinc/58/04/66/1091580466.db2.gz QTYUTLZXERESOD-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cnc1OC(C)C ZINC001206327058 1091581265 /nfs/dbraw/zinc/58/12/65/1091581265.db2.gz RVRUUJZKSXLENT-GOSISDBHSA-N 2 1 305.466 3.128 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001206327018 1091581559 /nfs/dbraw/zinc/58/15/59/1091581559.db2.gz RLEONVUZMDTEKP-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cnc1OC(C)C ZINC001206327059 1091581597 /nfs/dbraw/zinc/58/15/97/1091581597.db2.gz RVRUUJZKSXLENT-SFHVURJKSA-N 2 1 305.466 3.128 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206554853 1091667279 /nfs/dbraw/zinc/66/72/79/1091667279.db2.gz GVANQLXNHJSSQS-GOSISDBHSA-N 2 1 306.498 3.206 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c2c1 ZINC001206556722 1091668576 /nfs/dbraw/zinc/66/85/76/1091668576.db2.gz VXXRPGJTVRXFER-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP COCCCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206563677 1091670288 /nfs/dbraw/zinc/67/02/88/1091670288.db2.gz GVONTYGAZLDZQC-LJQANCHMSA-N 2 1 320.477 3.053 20 0 DGADMP COc1cccc(CCC[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206583753 1091678197 /nfs/dbraw/zinc/67/81/97/1091678197.db2.gz WDEBRPLUFIJJQC-SFHVURJKSA-N 2 1 304.478 3.480 20 0 DGADMP COc1cc(F)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1F ZINC001206599698 1091684010 /nfs/dbraw/zinc/68/40/10/1091684010.db2.gz VTAHCWUGYVGXEM-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(F)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1F ZINC001206599698 1091684014 /nfs/dbraw/zinc/68/40/14/1091684014.db2.gz VTAHCWUGYVGXEM-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP CCCOc1ncccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206598186 1091684480 /nfs/dbraw/zinc/68/44/80/1091684480.db2.gz IKLVQFAAGOXAHQ-QGZVFWFLSA-N 2 1 305.466 3.223 20 0 DGADMP CCCOc1ncccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206598186 1091684485 /nfs/dbraw/zinc/68/44/85/1091684485.db2.gz IKLVQFAAGOXAHQ-QGZVFWFLSA-N 2 1 305.466 3.223 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)NCCC2)[C@H]1CCC[NH2+]CC1 ZINC001206597652 1091684565 /nfs/dbraw/zinc/68/45/65/1091684565.db2.gz DRHQCOPYOHVYOM-SFHVURJKSA-N 2 1 301.478 3.397 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001206623258 1091693429 /nfs/dbraw/zinc/69/34/29/1091693429.db2.gz KNCPTKAQDAIWTJ-HNNXBMFYSA-N 2 1 313.420 3.449 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682942 1091700963 /nfs/dbraw/zinc/70/09/63/1091700963.db2.gz CEUHMKTUTWTWIG-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682942 1091700971 /nfs/dbraw/zinc/70/09/71/1091700971.db2.gz CEUHMKTUTWTWIG-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CC1([C@H]3CCCCO3)CCC1)CC2 ZINC001307609792 1091702214 /nfs/dbraw/zinc/70/22/14/1091702214.db2.gz RDEIEWVMNCCJIJ-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CC1([C@@H]3CCCCO3)CCC1)CC2 ZINC001307609791 1091702337 /nfs/dbraw/zinc/70/23/37/1091702337.db2.gz RDEIEWVMNCCJIJ-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(Cc1cccc(N)n1)C2 ZINC001276491649 1091710250 /nfs/dbraw/zinc/71/02/50/1091710250.db2.gz HFQVUUSBFKCDRP-INIZCTEOSA-N 2 1 316.493 3.140 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001206736135 1091718634 /nfs/dbraw/zinc/71/86/34/1091718634.db2.gz DLLCYWHNYQXKKI-UHFFFAOYSA-N 2 1 314.433 3.140 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccc(Br)cc1 ZINC001206760321 1091726094 /nfs/dbraw/zinc/72/60/94/1091726094.db2.gz CVEJOYFMQNPZHW-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCc1ccccc1Br ZINC001206760414 1091726341 /nfs/dbraw/zinc/72/63/41/1091726341.db2.gz FWQZCRCVNJAFGJ-QWHCGFSZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccccc1Br ZINC001206760414 1091726350 /nfs/dbraw/zinc/72/63/50/1091726350.db2.gz FWQZCRCVNJAFGJ-QWHCGFSZSA-N 2 1 311.267 3.051 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206760669 1091728582 /nfs/dbraw/zinc/72/85/82/1091728582.db2.gz KAAJUYURHCLKNF-SJORKVTESA-N 2 1 312.498 3.339 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206768118 1091732099 /nfs/dbraw/zinc/73/20/99/1091732099.db2.gz HISVJTRGEGETQD-OLZOCXBDSA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206768118 1091732109 /nfs/dbraw/zinc/73/21/09/1091732109.db2.gz HISVJTRGEGETQD-OLZOCXBDSA-N 2 1 324.852 3.076 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770905 1091733412 /nfs/dbraw/zinc/73/34/12/1091733412.db2.gz UIVQCEAOTBGFNJ-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770905 1091733416 /nfs/dbraw/zinc/73/34/16/1091733416.db2.gz UIVQCEAOTBGFNJ-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC001206801722 1091746406 /nfs/dbraw/zinc/74/64/06/1091746406.db2.gz YZQHXNRKAADRGP-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C/c1cc(C)c(C)cc1C ZINC001203011523 1091800131 /nfs/dbraw/zinc/80/01/31/1091800131.db2.gz NCOUGWSNPSOABL-NDDJGDGRSA-N 2 1 318.505 3.307 20 0 DGADMP CCOc1ccc2[nH]cc(CN3CCC([N@@H+](C)CC)CC3)c2c1 ZINC001140274486 1091812868 /nfs/dbraw/zinc/81/28/68/1091812868.db2.gz OAQRRMCKIUIZPD-UHFFFAOYSA-N 2 1 315.461 3.483 20 0 DGADMP c1[nH]nc2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc12 ZINC001140386361 1091845462 /nfs/dbraw/zinc/84/54/62/1091845462.db2.gz DQEIVDITBSEGNG-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP Cc1nccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001207168039 1091870756 /nfs/dbraw/zinc/87/07/56/1091870756.db2.gz BRTREKFVQKFJJH-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CCCOc1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC001207175395 1091875090 /nfs/dbraw/zinc/87/50/90/1091875090.db2.gz UEKQAAHPXUETPH-QZTJIDSGSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001207175395 1091875096 /nfs/dbraw/zinc/87/50/96/1091875096.db2.gz UEKQAAHPXUETPH-QZTJIDSGSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001207175395 1091875104 /nfs/dbraw/zinc/87/51/04/1091875104.db2.gz UEKQAAHPXUETPH-QZTJIDSGSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C ZINC001207175395 1091875108 /nfs/dbraw/zinc/87/51/08/1091875108.db2.gz UEKQAAHPXUETPH-QZTJIDSGSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC001207175395 1091875116 /nfs/dbraw/zinc/87/51/16/1091875116.db2.gz UEKQAAHPXUETPH-QZTJIDSGSA-N 2 1 302.462 3.310 20 0 DGADMP COc1cc(F)cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001140479663 1091881007 /nfs/dbraw/zinc/88/10/07/1091881007.db2.gz MVXDCSRVKVWBAY-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Cc1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc(C)n1 ZINC001207253065 1091900482 /nfs/dbraw/zinc/90/04/82/1091900482.db2.gz WEZGECSKGZTCGE-UHFFFAOYSA-N 2 1 303.494 3.498 20 0 DGADMP C[C@@]1(O)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286346 1091912571 /nfs/dbraw/zinc/91/25/71/1091912571.db2.gz GNMDWTRWUUVODX-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCc4cnccc4C3)CC2)cc1 ZINC001207285999 1091912871 /nfs/dbraw/zinc/91/28/71/1091912871.db2.gz AYFBEEJPCOOQJJ-UHFFFAOYSA-N 2 1 321.468 3.352 20 0 DGADMP CO[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287340 1091912883 /nfs/dbraw/zinc/91/28/83/1091912883.db2.gz SZWNQMNRQKGSHP-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290845 1091914340 /nfs/dbraw/zinc/91/43/40/1091914340.db2.gz HLNFOVMDBPKBEL-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC001207291550 1091914471 /nfs/dbraw/zinc/91/44/71/1091914471.db2.gz SGRYVIPIJIOYIV-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001207289873 1091914806 /nfs/dbraw/zinc/91/48/06/1091914806.db2.gz YOAPDZDSSBKNFX-UXHICEINSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001207335039 1091928150 /nfs/dbraw/zinc/92/81/50/1091928150.db2.gz WOZCPVWYCQPVJJ-DLBZAZTESA-N 2 1 323.440 3.158 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccc(Br)cc3)C2)C1 ZINC001207385647 1091950068 /nfs/dbraw/zinc/95/00/68/1091950068.db2.gz IMHGVTPBEBLTBV-INIZCTEOSA-N 2 1 323.278 3.019 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207385647 1091950077 /nfs/dbraw/zinc/95/00/77/1091950077.db2.gz IMHGVTPBEBLTBV-INIZCTEOSA-N 2 1 323.278 3.019 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207385647 1091950082 /nfs/dbraw/zinc/95/00/82/1091950082.db2.gz IMHGVTPBEBLTBV-INIZCTEOSA-N 2 1 323.278 3.019 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)c1 ZINC001207400300 1091955107 /nfs/dbraw/zinc/95/51/07/1091955107.db2.gz DSWLPXVAIVYKJT-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](CCCC(C)C)CC3)n(C)n1 ZINC001276530442 1091955207 /nfs/dbraw/zinc/95/52/07/1091955207.db2.gz VMTWUDAKKGPNGN-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC1 ZINC001207402759 1091956273 /nfs/dbraw/zinc/95/62/73/1091956273.db2.gz NPDAQXCTXMMCHB-FQEVSTJZSA-N 2 1 316.464 3.447 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)CCc2cccc(OC)c2)CC1 ZINC001207434870 1091969924 /nfs/dbraw/zinc/96/99/24/1091969924.db2.gz YOBLIVYIWFGFRQ-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207468609 1091977942 /nfs/dbraw/zinc/97/79/42/1091977942.db2.gz CJUXFFIXEGDSFC-KRWDZBQOSA-N 2 1 320.452 3.149 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207468609 1091977945 /nfs/dbraw/zinc/97/79/45/1091977945.db2.gz CJUXFFIXEGDSFC-KRWDZBQOSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH+]1CCC(CC[N@H+](Cc2cccnc2)Cc2ccccn2)CC1 ZINC001207484843 1091984742 /nfs/dbraw/zinc/98/47/42/1091984742.db2.gz NSNXYGFQXCMOKO-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP C[NH+]1CCC(CC[N@@H+](Cc2cccnc2)Cc2ccccn2)CC1 ZINC001207484843 1091984752 /nfs/dbraw/zinc/98/47/52/1091984752.db2.gz NSNXYGFQXCMOKO-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP CC(C)c1noc([C@@H]2CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)n1 ZINC001207486522 1091985424 /nfs/dbraw/zinc/98/54/24/1091985424.db2.gz JSNVNRTZPHHQEH-MRXNPFEDSA-N 2 1 320.481 3.104 20 0 DGADMP C[N@H+](CCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001207503830 1091995493 /nfs/dbraw/zinc/99/54/93/1091995493.db2.gz OKUJLXJXCLCTHW-UHFFFAOYSA-N 2 1 311.267 3.018 20 0 DGADMP C[N@@H+](CCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001207503830 1091995501 /nfs/dbraw/zinc/99/55/01/1091995501.db2.gz OKUJLXJXCLCTHW-UHFFFAOYSA-N 2 1 311.267 3.018 20 0 DGADMP C[N@H+](CCCC(=O)c1cccnc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805569 1092008584 /nfs/dbraw/zinc/00/85/84/1092008584.db2.gz BDUUJOPIZYJVOL-UHFFFAOYSA-N 2 1 308.385 3.053 20 0 DGADMP C[N@@H+](CCCC(=O)c1cccnc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805569 1092008596 /nfs/dbraw/zinc/00/85/96/1092008596.db2.gz BDUUJOPIZYJVOL-UHFFFAOYSA-N 2 1 308.385 3.053 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001140806108 1092010151 /nfs/dbraw/zinc/01/01/51/1092010151.db2.gz BHLUTKJPBGDTHA-MRXNPFEDSA-N 2 1 308.385 3.001 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001140806108 1092010161 /nfs/dbraw/zinc/01/01/61/1092010161.db2.gz BHLUTKJPBGDTHA-MRXNPFEDSA-N 2 1 308.385 3.001 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802870 1092010757 /nfs/dbraw/zinc/01/07/57/1092010757.db2.gz HKBXAAUPYDWRHW-OAHLLOKOSA-N 2 1 323.396 3.225 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802870 1092010766 /nfs/dbraw/zinc/01/07/66/1092010766.db2.gz HKBXAAUPYDWRHW-OAHLLOKOSA-N 2 1 323.396 3.225 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802869 1092010986 /nfs/dbraw/zinc/01/09/86/1092010986.db2.gz HKBXAAUPYDWRHW-HNNXBMFYSA-N 2 1 323.396 3.225 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802869 1092010996 /nfs/dbraw/zinc/01/09/96/1092010996.db2.gz HKBXAAUPYDWRHW-HNNXBMFYSA-N 2 1 323.396 3.225 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2ccncc12 ZINC001140805008 1092012037 /nfs/dbraw/zinc/01/20/37/1092012037.db2.gz OEFFFXDLMBTNJT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ccncc12 ZINC001140805008 1092012047 /nfs/dbraw/zinc/01/20/47/1092012047.db2.gz OEFFFXDLMBTNJT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccncc12 ZINC001140805008 1092012057 /nfs/dbraw/zinc/01/20/57/1092012057.db2.gz OEFFFXDLMBTNJT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP Cc1cccc(CC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001207538485 1092017195 /nfs/dbraw/zinc/01/71/95/1092017195.db2.gz PYLYODMQMJSGLE-UHFFFAOYSA-N 2 1 304.453 3.436 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206623194 1092027521 /nfs/dbraw/zinc/02/75/21/1092027521.db2.gz JZWXOXGTXMKCSC-LLVKDONJSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206623194 1092027530 /nfs/dbraw/zinc/02/75/30/1092027530.db2.gz JZWXOXGTXMKCSC-LLVKDONJSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206623196 1092029026 /nfs/dbraw/zinc/02/90/26/1092029026.db2.gz JZWXOXGTXMKCSC-NSHDSACASA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001206623196 1092029036 /nfs/dbraw/zinc/02/90/36/1092029036.db2.gz JZWXOXGTXMKCSC-NSHDSACASA-N 2 1 320.330 3.285 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621084 1092044953 /nfs/dbraw/zinc/04/49/53/1092044953.db2.gz YZTSFXHQHDDDKA-ZGXWSNOMSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621084 1092044963 /nfs/dbraw/zinc/04/49/63/1092044963.db2.gz YZTSFXHQHDDDKA-ZGXWSNOMSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621084 1092044972 /nfs/dbraw/zinc/04/49/72/1092044972.db2.gz YZTSFXHQHDDDKA-ZGXWSNOMSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621084 1092044982 /nfs/dbraw/zinc/04/49/82/1092044982.db2.gz YZTSFXHQHDDDKA-ZGXWSNOMSA-N 2 1 318.505 3.021 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207630962 1092049885 /nfs/dbraw/zinc/04/98/85/1092049885.db2.gz ZVNGLVGWIYDOJJ-XIYVOTBMSA-N 2 1 308.469 3.262 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207630962 1092049893 /nfs/dbraw/zinc/04/98/93/1092049893.db2.gz ZVNGLVGWIYDOJJ-XIYVOTBMSA-N 2 1 308.469 3.262 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207630962 1092049897 /nfs/dbraw/zinc/04/98/97/1092049897.db2.gz ZVNGLVGWIYDOJJ-XIYVOTBMSA-N 2 1 308.469 3.262 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001140973693 1092088958 /nfs/dbraw/zinc/08/89/58/1092088958.db2.gz PAIYSQIUCNHSTR-IRXDYDNUSA-N 2 1 301.478 3.059 20 0 DGADMP C[C@@H]1CCCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001140967722 1092089000 /nfs/dbraw/zinc/08/90/00/1092089000.db2.gz AXHCFSRONIQVCB-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140972916 1092090383 /nfs/dbraw/zinc/09/03/83/1092090383.db2.gz DHINLFMVRDQXRM-UHFFFAOYSA-N 2 1 323.484 3.379 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2cccc(O)c2n1 ZINC001141025805 1092111132 /nfs/dbraw/zinc/11/11/32/1092111132.db2.gz QWMZECRDOYEHPL-UHFFFAOYSA-N 2 1 301.434 3.104 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2cccc(O)c2n1 ZINC001141025805 1092111134 /nfs/dbraw/zinc/11/11/34/1092111134.db2.gz QWMZECRDOYEHPL-UHFFFAOYSA-N 2 1 301.434 3.104 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC001207910584 1092137978 /nfs/dbraw/zinc/13/79/78/1092137978.db2.gz VEBIJMFYPRBUEV-FXAWDEMLSA-N 2 1 316.489 3.365 20 0 DGADMP C[C@H]1CN(CC2(C)CC[NH+](C)CC2)CC[N@H+]1C1CCCCC1 ZINC001208114893 1092202509 /nfs/dbraw/zinc/20/25/09/1092202509.db2.gz DINBHVWNCXKQDD-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCN1C1CCCCC1 ZINC001208114893 1092202516 /nfs/dbraw/zinc/20/25/16/1092202516.db2.gz DINBHVWNCXKQDD-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CCN1C1CCCCC1 ZINC001208114893 1092202524 /nfs/dbraw/zinc/20/25/24/1092202524.db2.gz DINBHVWNCXKQDD-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP CS[C@@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208142178 1092216407 /nfs/dbraw/zinc/21/64/07/1092216407.db2.gz NJNJIEXRGHYGJA-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208142178 1092216416 /nfs/dbraw/zinc/21/64/16/1092216416.db2.gz NJNJIEXRGHYGJA-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208142178 1092216426 /nfs/dbraw/zinc/21/64/26/1092216426.db2.gz NJNJIEXRGHYGJA-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208142178 1092216433 /nfs/dbraw/zinc/21/64/33/1092216433.db2.gz NJNJIEXRGHYGJA-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001208145624 1092219474 /nfs/dbraw/zinc/21/94/74/1092219474.db2.gz WWWLJICHTHSLIT-LSDHHAIUSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@@H](C)CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001208145624 1092219488 /nfs/dbraw/zinc/21/94/88/1092219488.db2.gz WWWLJICHTHSLIT-LSDHHAIUSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001208145624 1092219503 /nfs/dbraw/zinc/21/95/03/1092219503.db2.gz WWWLJICHTHSLIT-LSDHHAIUSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001208145624 1092219514 /nfs/dbraw/zinc/21/95/14/1092219514.db2.gz WWWLJICHTHSLIT-LSDHHAIUSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208149030 1092222702 /nfs/dbraw/zinc/22/27/02/1092222702.db2.gz XUCZJAVRRKXMGT-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208149030 1092222712 /nfs/dbraw/zinc/22/27/12/1092222712.db2.gz XUCZJAVRRKXMGT-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208149030 1092222721 /nfs/dbraw/zinc/22/27/21/1092222721.db2.gz XUCZJAVRRKXMGT-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP C[NH+](C)CC1(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCCC1 ZINC001208181968 1092246549 /nfs/dbraw/zinc/24/65/49/1092246549.db2.gz FXSAVVDELBRMAV-LJQANCHMSA-N 2 1 315.505 3.097 20 0 DGADMP CN(C)CC1(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC001208192634 1092254848 /nfs/dbraw/zinc/25/48/48/1092254848.db2.gz WLMOEXMZJAMAGT-UHFFFAOYSA-N 2 1 321.553 3.162 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)CC1(c2ccccc2)CCOCC1 ZINC001208233889 1092286931 /nfs/dbraw/zinc/28/69/31/1092286931.db2.gz KFPZHEIERIAGAJ-UHFFFAOYSA-N 2 1 318.505 3.399 20 0 DGADMP CCN(CCC[NH+](C)C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208592672 1092417291 /nfs/dbraw/zinc/41/72/91/1092417291.db2.gz XYWVDKZQKYAZSS-HXUWFJFHSA-N 2 1 317.521 3.315 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001208598019 1092419693 /nfs/dbraw/zinc/41/96/93/1092419693.db2.gz PZSWZJSEVFEGIE-SFHVURJKSA-N 2 1 319.518 3.370 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001208600440 1092420406 /nfs/dbraw/zinc/42/04/06/1092420406.db2.gz SLGHYAPFDZJSBS-IBGZPJMESA-N 3 1 307.526 3.059 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001208602820 1092422520 /nfs/dbraw/zinc/42/25/20/1092422520.db2.gz OHNQIKIYHVSVJX-UHFFFAOYSA-N 3 1 321.553 3.447 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC001208609020 1092424754 /nfs/dbraw/zinc/42/47/54/1092424754.db2.gz SORRSSIDZMDEGS-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208619632 1092431200 /nfs/dbraw/zinc/43/12/00/1092431200.db2.gz YOECFQNZADFZMT-JKSUJKDBSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208619632 1092431201 /nfs/dbraw/zinc/43/12/01/1092431201.db2.gz YOECFQNZADFZMT-JKSUJKDBSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208619632 1092431204 /nfs/dbraw/zinc/43/12/04/1092431204.db2.gz YOECFQNZADFZMT-JKSUJKDBSA-N 2 1 320.502 3.203 20 0 DGADMP C[NH2+][C@@]12CC[C@@](NCc3cc(F)cc(C[NH+](C)C)c3)(C1)CCC2 ZINC001276577138 1092447922 /nfs/dbraw/zinc/44/79/22/1092447922.db2.gz VCBHBTQSZJYGHG-RBUKOAKNSA-N 2 1 319.468 3.042 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001169099923 1092528625 /nfs/dbraw/zinc/52/86/25/1092528625.db2.gz WVJGURGWYWAPRF-VJDPLVQDSA-N 3 1 319.537 3.246 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001169099923 1092528635 /nfs/dbraw/zinc/52/86/35/1092528635.db2.gz WVJGURGWYWAPRF-VJDPLVQDSA-N 2 1 319.537 3.246 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC001169100069 1092528918 /nfs/dbraw/zinc/52/89/18/1092528918.db2.gz FSWKABARQBQIHL-YRPNKDGESA-N 2 1 314.473 3.369 20 0 DGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099757 1092530394 /nfs/dbraw/zinc/53/03/94/1092530394.db2.gz VBYPVZMXWGQYOG-ZJPYXAASSA-N 2 1 302.462 3.286 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]1OCc1ccccc1)C2 ZINC001169102261 1092531113 /nfs/dbraw/zinc/53/11/13/1092531113.db2.gz YRZZOXMAVWATOX-KNJMJIDISA-N 2 1 314.473 3.339 20 0 DGADMP COc1ccc([C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC001169102298 1092532803 /nfs/dbraw/zinc/53/28/03/1092532803.db2.gz ZBCXYXCGHBLHDV-ZMMAXQRCSA-N 2 1 300.446 3.361 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)C2 ZINC001169089295 1092537872 /nfs/dbraw/zinc/53/78/72/1092537872.db2.gz AVFCCKAXWVBVRG-PHZGNYQRSA-N 2 1 308.853 3.324 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3ccc(F)cc31)C2 ZINC001169090901 1092539999 /nfs/dbraw/zinc/53/99/99/1092539999.db2.gz NOLFMROJLOJULM-MUJYYYPQSA-N 2 1 301.409 3.079 20 0 DGADMP COc1ccccc1CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118571 1092541404 /nfs/dbraw/zinc/54/14/04/1092541404.db2.gz KMFQKYCZMFQSSE-BJWYYQGGSA-N 2 1 302.462 3.231 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cncc(Cl)c1)C1CC1)C2 ZINC001169117338 1092541825 /nfs/dbraw/zinc/54/18/25/1092541825.db2.gz YSFAMZUJNGDIOZ-YYIAUSFCSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccccc3)CC1)C2 ZINC001169124918 1092544488 /nfs/dbraw/zinc/54/44/88/1092544488.db2.gz HBAATXRTOZCMCO-FVQHAEBGSA-N 2 1 300.446 3.155 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1cccc3ccoc31)C2 ZINC001169124946 1092544591 /nfs/dbraw/zinc/54/45/91/1092544591.db2.gz ULXHFSVSMUYMFS-PHZGNYQRSA-N 2 1 300.402 3.026 20 0 DGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107804 1092551392 /nfs/dbraw/zinc/55/13/92/1092551392.db2.gz KKTHAXHYGRNAEY-LLLHUVSDSA-N 2 1 310.445 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(F)c3)CC1)C2 ZINC001169139811 1092551849 /nfs/dbraw/zinc/55/18/49/1092551849.db2.gz FBEXASBSNIZKIK-BJWYYQGGSA-N 2 1 318.436 3.294 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109559 1092553197 /nfs/dbraw/zinc/55/31/97/1092553197.db2.gz DIGPZMJZQDYEMH-BCDXTJNWSA-N 2 1 314.473 3.233 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@H]1c1ccccc1)C2 ZINC001169141255 1092556118 /nfs/dbraw/zinc/55/61/18/1092556118.db2.gz PFOZCWNRCFCOAS-MHORFTMASA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCSC[C@H]1c1ccccc1)C2 ZINC001169141255 1092556127 /nfs/dbraw/zinc/55/61/27/1092556127.db2.gz PFOZCWNRCFCOAS-MHORFTMASA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCSC[C@H]1c1ccccc1)C2 ZINC001169141255 1092556141 /nfs/dbraw/zinc/55/61/41/1092556141.db2.gz PFOZCWNRCFCOAS-MHORFTMASA-N 2 1 302.487 3.402 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888645 1092568026 /nfs/dbraw/zinc/56/80/26/1092568026.db2.gz SRZJCBRYQXFUMT-CABCVRRESA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888645 1092568036 /nfs/dbraw/zinc/56/80/36/1092568036.db2.gz SRZJCBRYQXFUMT-CABCVRRESA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888645 1092568045 /nfs/dbraw/zinc/56/80/45/1092568045.db2.gz SRZJCBRYQXFUMT-CABCVRRESA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888645 1092568055 /nfs/dbraw/zinc/56/80/55/1092568055.db2.gz SRZJCBRYQXFUMT-CABCVRRESA-N 2 1 322.415 3.008 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169155539 1092569203 /nfs/dbraw/zinc/56/92/03/1092569203.db2.gz QPTAFXOLEIFDSS-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CCC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169155539 1092569211 /nfs/dbraw/zinc/56/92/11/1092569211.db2.gz QPTAFXOLEIFDSS-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CCC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169155539 1092569223 /nfs/dbraw/zinc/56/92/23/1092569223.db2.gz QPTAFXOLEIFDSS-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(COc4ccccc43)CC1)C2 ZINC001169155313 1092570101 /nfs/dbraw/zinc/57/01/01/1092570101.db2.gz MWOUYQPUUWCADZ-FVQHAEBGSA-N 2 1 312.457 3.038 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001169140478 1092575372 /nfs/dbraw/zinc/57/53/72/1092575372.db2.gz KGCJCYWWLBYDKG-KYHPRHEASA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001169140478 1092575376 /nfs/dbraw/zinc/57/53/76/1092575376.db2.gz KGCJCYWWLBYDKG-KYHPRHEASA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001169140478 1092575381 /nfs/dbraw/zinc/57/53/81/1092575381.db2.gz KGCJCYWWLBYDKG-KYHPRHEASA-N 2 1 317.502 3.263 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004041 1092579143 /nfs/dbraw/zinc/57/91/43/1092579143.db2.gz PCTDQAHXXXIPGL-XJKSGUPXSA-N 2 1 306.498 3.062 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC4(C3)CCCOC4)C2)cc1 ZINC001208930683 1092591829 /nfs/dbraw/zinc/59/18/29/1092591829.db2.gz CLCUJMXKNRFEDT-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC4(C3)CCCOC4)C2)cc1 ZINC001208930683 1092591847 /nfs/dbraw/zinc/59/18/47/1092591847.db2.gz CLCUJMXKNRFEDT-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP C[N@@H+](Cc1ccncc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930469 1092594274 /nfs/dbraw/zinc/59/42/74/1092594274.db2.gz BLARHJBGHODTMX-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP C[N@H+](Cc1ccncc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930469 1092594285 /nfs/dbraw/zinc/59/42/85/1092594285.db2.gz BLARHJBGHODTMX-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930469 1092594293 /nfs/dbraw/zinc/59/42/93/1092594293.db2.gz BLARHJBGHODTMX-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930469 1092594300 /nfs/dbraw/zinc/59/43/00/1092594300.db2.gz BLARHJBGHODTMX-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(CCO4)CC3)C2)cc1 ZINC001208939843 1092599100 /nfs/dbraw/zinc/59/91/00/1092599100.db2.gz KAKITKCAGFWVOQ-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP FC1(F)CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208940147 1092602298 /nfs/dbraw/zinc/60/22/98/1092602298.db2.gz AHEMIYSZWQJOOX-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208940147 1092602302 /nfs/dbraw/zinc/60/23/02/1092602302.db2.gz AHEMIYSZWQJOOX-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208940147 1092602310 /nfs/dbraw/zinc/60/23/10/1092602310.db2.gz AHEMIYSZWQJOOX-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208942358 1092602352 /nfs/dbraw/zinc/60/23/52/1092602352.db2.gz PPLOSEXCFQRJOO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208942358 1092602359 /nfs/dbraw/zinc/60/23/59/1092602359.db2.gz PPLOSEXCFQRJOO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208942358 1092602363 /nfs/dbraw/zinc/60/23/63/1092602363.db2.gz PPLOSEXCFQRJOO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP COC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940209 1092603067 /nfs/dbraw/zinc/60/30/67/1092603067.db2.gz BATBLINJJOKZGF-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940209 1092603072 /nfs/dbraw/zinc/60/30/72/1092603072.db2.gz BATBLINJJOKZGF-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940209 1092603073 /nfs/dbraw/zinc/60/30/73/1092603073.db2.gz BATBLINJJOKZGF-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945604 1092606696 /nfs/dbraw/zinc/60/66/96/1092606696.db2.gz RXCOQYFNLAOEAT-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC)CC1 ZINC001169265079 1092607411 /nfs/dbraw/zinc/60/74/11/1092607411.db2.gz MHDHQJFIIHMRLA-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208954010 1092609649 /nfs/dbraw/zinc/60/96/49/1092609649.db2.gz RZPQSSZEALIJQO-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208954010 1092609653 /nfs/dbraw/zinc/60/96/53/1092609653.db2.gz RZPQSSZEALIJQO-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954010 1092609654 /nfs/dbraw/zinc/60/96/54/1092609654.db2.gz RZPQSSZEALIJQO-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP c1cc2nonc2c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203136032 1092646347 /nfs/dbraw/zinc/64/63/47/1092646347.db2.gz HSAHWVBIAHYVRU-INIZCTEOSA-N 2 1 314.433 3.063 20 0 DGADMP c1cc2nonc2c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203136032 1092646354 /nfs/dbraw/zinc/64/63/54/1092646354.db2.gz HSAHWVBIAHYVRU-INIZCTEOSA-N 2 1 314.433 3.063 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209119917 1092659848 /nfs/dbraw/zinc/65/98/48/1092659848.db2.gz XSMHVZAMGYFKNK-HZPDHXFCSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209119917 1092659850 /nfs/dbraw/zinc/65/98/50/1092659850.db2.gz XSMHVZAMGYFKNK-HZPDHXFCSA-N 2 1 312.379 3.131 20 0 DGADMP FC(F)(F)c1ccc(CC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001209124604 1092662501 /nfs/dbraw/zinc/66/25/01/1092662501.db2.gz CSPAXHGJHIBDGC-UHFFFAOYSA-N 2 1 312.379 3.418 20 0 DGADMP CN1CCC[C@@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127503 1092666015 /nfs/dbraw/zinc/66/60/15/1092666015.db2.gz VVHBDGMBDJJYQH-ZBFHGGJFSA-N 2 1 312.379 3.274 20 0 DGADMP C[N@@H+]1CCC[C@@H]2CN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127503 1092666021 /nfs/dbraw/zinc/66/60/21/1092666021.db2.gz VVHBDGMBDJJYQH-ZBFHGGJFSA-N 2 1 312.379 3.274 20 0 DGADMP c1csc(CC[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001209221673 1092700842 /nfs/dbraw/zinc/70/08/42/1092700842.db2.gz DWINCBWLHOULEQ-GJZGRUSLSA-N 2 1 318.511 3.416 20 0 DGADMP CC[N@H+](C)C1CC[NH+](CCCCOCc2ccccc2)CC1 ZINC001209262720 1092717429 /nfs/dbraw/zinc/71/74/29/1092717429.db2.gz HGJHEECBUBDFMK-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](CCCCOCc2ccccc2)CC1 ZINC001209262720 1092717434 /nfs/dbraw/zinc/71/74/34/1092717434.db2.gz HGJHEECBUBDFMK-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCOCc3ccccc3)C2)C1 ZINC001209265834 1092720420 /nfs/dbraw/zinc/72/04/20/1092720420.db2.gz VNYQDUDXVGIRCM-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCOCc3ccccc3)C2)C1 ZINC001209265834 1092720422 /nfs/dbraw/zinc/72/04/22/1092720422.db2.gz VNYQDUDXVGIRCM-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCOCc3ccccc3)C2)C1 ZINC001209265834 1092720423 /nfs/dbraw/zinc/72/04/23/1092720423.db2.gz VNYQDUDXVGIRCM-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COc1ccc2[nH]cc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)c2c1 ZINC001276635872 1092740251 /nfs/dbraw/zinc/74/02/51/1092740251.db2.gz XKITVJYESBBUNC-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP Cc1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209560962 1092824275 /nfs/dbraw/zinc/82/42/75/1092824275.db2.gz KJIURNXVKAYHFK-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209596859 1092841588 /nfs/dbraw/zinc/84/15/88/1092841588.db2.gz HNMJMFNUVBLCNQ-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209596859 1092841590 /nfs/dbraw/zinc/84/15/90/1092841590.db2.gz HNMJMFNUVBLCNQ-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637518 1092858745 /nfs/dbraw/zinc/85/87/45/1092858745.db2.gz GZIGONVQOGUWMM-OAHLLOKOSA-N 2 1 317.820 3.400 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637518 1092858755 /nfs/dbraw/zinc/85/87/55/1092858755.db2.gz GZIGONVQOGUWMM-OAHLLOKOSA-N 2 1 317.820 3.400 20 0 DGADMP Nc1ccncc1CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC001209737554 1092897747 /nfs/dbraw/zinc/89/77/47/1092897747.db2.gz OHYDEHRUELZYLD-UHFFFAOYSA-N 2 1 307.319 3.071 20 0 DGADMP C[N@H+]1CCC[C@]2(CCCN(Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673950 1092936952 /nfs/dbraw/zinc/93/69/52/1092936952.db2.gz NJAQHRXOGHDLJV-SFHVURJKSA-N 2 1 304.482 3.015 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH2+]1 ZINC001210476935 1093181391 /nfs/dbraw/zinc/18/13/91/1093181391.db2.gz YZMGLNPQVSJSIH-MRXNPFEDSA-N 2 1 320.440 3.209 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH2+]1 ZINC001210476935 1093181396 /nfs/dbraw/zinc/18/13/96/1093181396.db2.gz YZMGLNPQVSJSIH-MRXNPFEDSA-N 2 1 320.440 3.209 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276740061 1094193909 /nfs/dbraw/zinc/19/39/09/1094193909.db2.gz IIAZERGUAWNQOH-HXUWFJFHSA-N 2 1 316.489 3.436 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276740061 1094193912 /nfs/dbraw/zinc/19/39/12/1094193912.db2.gz IIAZERGUAWNQOH-HXUWFJFHSA-N 2 1 316.489 3.436 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276740061 1094193915 /nfs/dbraw/zinc/19/39/15/1094193915.db2.gz IIAZERGUAWNQOH-HXUWFJFHSA-N 2 1 316.489 3.436 20 0 DGADMP CCOc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001276740986 1094202218 /nfs/dbraw/zinc/20/22/18/1094202218.db2.gz NQNXQRUESXGTIK-GOSISDBHSA-N 2 1 306.425 3.142 20 0 DGADMP CCc1onc(C)c1CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812337 1094292787 /nfs/dbraw/zinc/29/27/87/1094292787.db2.gz QAFSPFGVYCRBHV-UKRRQHHQSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812337 1094292796 /nfs/dbraw/zinc/29/27/96/1094292796.db2.gz QAFSPFGVYCRBHV-UKRRQHHQSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812337 1094292805 /nfs/dbraw/zinc/29/28/05/1094292805.db2.gz QAFSPFGVYCRBHV-UKRRQHHQSA-N 2 1 305.466 3.288 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cnc1Cl ZINC001119989596 1094336044 /nfs/dbraw/zinc/33/60/44/1094336044.db2.gz QHKVIIDKYLAVFO-JYJNAYRXSA-N 2 1 307.869 3.206 20 0 DGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170784812 1094368373 /nfs/dbraw/zinc/36/83/73/1094368373.db2.gz LJOPKHIMAFSYTH-LZCIBIBXSA-N 2 1 323.525 3.093 20 0 DGADMP CCc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH+](C)C)o2)cc1 ZINC001217713088 1094481074 /nfs/dbraw/zinc/48/10/74/1094481074.db2.gz LBTFKDRSBJQHEW-HNNXBMFYSA-N 2 1 302.422 3.031 20 0 DGADMP Cc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o2)cc1F ZINC001217751516 1094488445 /nfs/dbraw/zinc/48/84/45/1094488445.db2.gz AVINFFBYRNEKFP-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP [NH3+]Cc1cccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001217823061 1094500202 /nfs/dbraw/zinc/50/02/02/1094500202.db2.gz LKUBKBVSMQFWIN-FQEVSTJZSA-N 2 1 310.441 3.327 20 0 DGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001217827410 1094501266 /nfs/dbraw/zinc/50/12/66/1094501266.db2.gz LUEKMAJEIZCWQI-QGZVFWFLSA-N 2 1 322.452 3.086 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@H](OCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217909319 1094515461 /nfs/dbraw/zinc/51/54/61/1094515461.db2.gz GPFMGHSEEKDOEI-QAPCUYQASA-N 2 1 322.880 3.321 20 0 DGADMP Cc1ccc(N2CCC[C@H](OCCC[C@@H]3CCC[NH2+]C3)C2)[nH+]c1 ZINC001217914510 1094517372 /nfs/dbraw/zinc/51/73/72/1094517372.db2.gz ZKGPQFZGQGZZSN-ROUUACIJSA-N 2 1 317.477 3.155 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217940028 1094521779 /nfs/dbraw/zinc/52/17/79/1094521779.db2.gz XNNOBWFKSLZAOP-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001336227877 1094594683 /nfs/dbraw/zinc/59/46/83/1094594683.db2.gz KPQUDRMTOCWDSD-MRXNPFEDSA-N 2 1 323.444 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001336227877 1094594695 /nfs/dbraw/zinc/59/46/95/1094594695.db2.gz KPQUDRMTOCWDSD-MRXNPFEDSA-N 2 1 323.444 3.338 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOCC1 ZINC001170832109 1094603032 /nfs/dbraw/zinc/60/30/32/1094603032.db2.gz UXKMPMFFFJXAPB-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@]1(c2cccc(O[C@H](C)C3C[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218198803 1094655514 /nfs/dbraw/zinc/65/55/14/1094655514.db2.gz ROWWBBYGFJRZIQ-UZLBHIALSA-N 2 1 316.489 3.437 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001218336898 1094726097 /nfs/dbraw/zinc/72/60/97/1094726097.db2.gz VVKGLXKIEDYBFF-OXQOHEQNSA-N 2 1 310.441 3.435 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cn1 ZINC001336887675 1094773219 /nfs/dbraw/zinc/77/32/19/1094773219.db2.gz DXGKANGORBYGNA-CMKODMSKSA-N 2 1 315.505 3.442 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C[C@@H]2C1 ZINC001336890087 1094773908 /nfs/dbraw/zinc/77/39/08/1094773908.db2.gz ZZSJGUCQTCWMAK-OKZBNKHCSA-N 2 1 324.472 3.239 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001337042059 1094828293 /nfs/dbraw/zinc/82/82/93/1094828293.db2.gz GOWVPTSDEXUXRG-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001337042059 1094828308 /nfs/dbraw/zinc/82/83/08/1094828308.db2.gz GOWVPTSDEXUXRG-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001337042059 1094828324 /nfs/dbraw/zinc/82/83/24/1094828324.db2.gz GOWVPTSDEXUXRG-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001337042059 1094828339 /nfs/dbraw/zinc/82/83/39/1094828339.db2.gz GOWVPTSDEXUXRG-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1Cl ZINC001337086887 1094847366 /nfs/dbraw/zinc/84/73/66/1094847366.db2.gz LTHFOKZCJLABJC-UHFFFAOYSA-N 2 1 309.841 3.002 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)ccn1 ZINC001276805878 1094986507 /nfs/dbraw/zinc/98/65/07/1094986507.db2.gz PCURPTMPHNUGDX-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP C[C@H](C[NH3+])[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246204246 1095098575 /nfs/dbraw/zinc/09/85/75/1095098575.db2.gz YYCUVGICHXKTLI-NUYPLMSZSA-N 2 1 311.267 3.412 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171047075 1095186391 /nfs/dbraw/zinc/18/63/91/1095186391.db2.gz XUHKYNHJFDJUQP-PMPSAXMXSA-N 2 1 304.865 3.081 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316697461 1095186931 /nfs/dbraw/zinc/18/69/31/1095186931.db2.gz AUFWPVMDQDIURF-FHWLQOOXSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316697461 1095186935 /nfs/dbraw/zinc/18/69/35/1095186935.db2.gz AUFWPVMDQDIURF-FHWLQOOXSA-N 2 1 302.462 3.227 20 0 DGADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171057668 1095218158 /nfs/dbraw/zinc/21/81/58/1095218158.db2.gz DTRBWPJIUYVCJI-GFCCVEGCSA-N 2 1 310.228 3.421 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171059394 1095225378 /nfs/dbraw/zinc/22/53/78/1095225378.db2.gz OTONDLJZLDFDLQ-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171059394 1095225386 /nfs/dbraw/zinc/22/53/86/1095225386.db2.gz OTONDLJZLDFDLQ-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171059394 1095225397 /nfs/dbraw/zinc/22/53/97/1095225397.db2.gz OTONDLJZLDFDLQ-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH2+]C1(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115573215 1095284147 /nfs/dbraw/zinc/28/41/47/1095284147.db2.gz NAYUSGLVDYRTBF-QGZVFWFLSA-N 2 1 323.525 3.068 20 0 DGADMP CC[C@]1([NH2+][C@H](C)Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246464675 1095300599 /nfs/dbraw/zinc/30/05/99/1095300599.db2.gz SLFNNNPDBSPAPA-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115759686 1095375483 /nfs/dbraw/zinc/37/54/83/1095375483.db2.gz FQHZYTDOHSYZJB-KRWDZBQOSA-N 2 1 323.525 3.068 20 0 DGADMP Clc1ccc2[nH]c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC001222141541 1095453739 /nfs/dbraw/zinc/45/37/39/1095453739.db2.gz ODMUPKVWTRZGER-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC001222141541 1095453743 /nfs/dbraw/zinc/45/37/43/1095453743.db2.gz ODMUPKVWTRZGER-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222147820 1095457187 /nfs/dbraw/zinc/45/71/87/1095457187.db2.gz BHRCKGCRXLRBAJ-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222147820 1095457191 /nfs/dbraw/zinc/45/71/91/1095457191.db2.gz BHRCKGCRXLRBAJ-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP c1ccc(COCC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222153841 1095460784 /nfs/dbraw/zinc/46/07/84/1095460784.db2.gz BHOZFWCUKXDTPT-FQEVSTJZSA-N 2 1 316.489 3.449 20 0 DGADMP Fc1ccccc1-c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c[nH]1 ZINC001222153893 1095461392 /nfs/dbraw/zinc/46/13/92/1095461392.db2.gz CEEZKIFREVMNQE-IBGZPJMESA-N 2 1 313.420 3.396 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1N1CCCC1 ZINC001222154208 1095461516 /nfs/dbraw/zinc/46/15/16/1095461516.db2.gz IIZDQOLPRAIJPS-LJQANCHMSA-N 2 1 317.452 3.001 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1N1CCCC1 ZINC001222154208 1095461519 /nfs/dbraw/zinc/46/15/19/1095461519.db2.gz IIZDQOLPRAIJPS-LJQANCHMSA-N 2 1 317.452 3.001 20 0 DGADMP c1ccc(OCC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161448 1095466036 /nfs/dbraw/zinc/46/60/36/1095466036.db2.gz OPXQTAANTDSGIW-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP C[C@@H]1CC(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)C[C@@H](C)O1 ZINC001222160746 1095466650 /nfs/dbraw/zinc/46/66/50/1095466650.db2.gz IKZYSDACOGXZHC-ZHALLVOQSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161866 1095469366 /nfs/dbraw/zinc/46/93/66/1095469366.db2.gz RYZFFGLRILFDPD-HKUYNNGSSA-N 2 1 324.509 3.212 20 0 DGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162033 1095469517 /nfs/dbraw/zinc/46/95/17/1095469517.db2.gz WMIMEBFRMXNPHN-SFHVURJKSA-N 2 1 304.482 3.210 20 0 DGADMP CC(C)n1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162033 1095469521 /nfs/dbraw/zinc/46/95/21/1095469521.db2.gz WMIMEBFRMXNPHN-SFHVURJKSA-N 2 1 304.482 3.210 20 0 DGADMP Cc1c(O)cccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167265 1095472650 /nfs/dbraw/zinc/47/26/50/1095472650.db2.gz JIZJCHBISKWFDZ-LJQANCHMSA-N 2 1 302.462 3.446 20 0 DGADMP c1cn2ccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc2n1 ZINC001222167711 1095472901 /nfs/dbraw/zinc/47/29/01/1095472901.db2.gz PRBHRTVRQQBTFK-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP Nc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222173596 1095478047 /nfs/dbraw/zinc/47/80/47/1095478047.db2.gz VSLHTHJSPKKKDJ-GOSISDBHSA-N 2 1 305.441 3.154 20 0 DGADMP Fc1cc(Cl)cc(Cl)c1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222208389 1095493718 /nfs/dbraw/zinc/49/37/18/1095493718.db2.gz LDYBZLYNZDQTPM-UHFFFAOYSA-N 2 1 303.208 3.318 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171136507 1095503166 /nfs/dbraw/zinc/50/31/66/1095503166.db2.gz UAMYKVXZYSGGIT-BPQIPLTHSA-N 2 1 304.865 3.081 20 0 DGADMP c1cc(-c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)ccn1 ZINC001222243339 1095507012 /nfs/dbraw/zinc/50/70/12/1095507012.db2.gz KQVZUQGJIMRRKQ-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1cc(-c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)ccn1 ZINC001222243339 1095507023 /nfs/dbraw/zinc/50/70/23/1095507023.db2.gz KQVZUQGJIMRRKQ-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259131 1095514937 /nfs/dbraw/zinc/51/49/37/1095514937.db2.gz KXUAYOGPIIANTL-IEBWSBKVSA-N 2 1 310.526 3.419 20 0 DGADMP CCOc1ccc(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264650 1095520477 /nfs/dbraw/zinc/52/04/77/1095520477.db2.gz DURUQUFXVIBQJV-LJQANCHMSA-N 2 1 302.462 3.359 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264650 1095520481 /nfs/dbraw/zinc/52/04/81/1095520481.db2.gz DURUQUFXVIBQJV-LJQANCHMSA-N 2 1 302.462 3.359 20 0 DGADMP CC(C)Oc1ncccc1CC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287129 1095531079 /nfs/dbraw/zinc/53/10/79/1095531079.db2.gz AFRBWASAINWRAG-UHFFFAOYSA-N 2 1 317.477 3.019 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@]12CCC[NH2+]CC2)OCc1ccccc1 ZINC001222308758 1095540814 /nfs/dbraw/zinc/54/08/14/1095540814.db2.gz MBAUIFBDWGIFGG-PKOBYXMFSA-N 2 1 302.462 3.200 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309266 1095541703 /nfs/dbraw/zinc/54/17/03/1095541703.db2.gz PDVTZLILNSWBJH-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(OC)c1C ZINC001222308764 1095542003 /nfs/dbraw/zinc/54/20/03/1095542003.db2.gz MJGMUEHJXLFMQK-IBGZPJMESA-N 2 1 318.461 3.120 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1Cl ZINC001222316361 1095544822 /nfs/dbraw/zinc/54/48/22/1095544822.db2.gz UXAUIBFTMHKNSY-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1Cl ZINC001222316361 1095544829 /nfs/dbraw/zinc/54/48/29/1095544829.db2.gz UXAUIBFTMHKNSY-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320338 1095549777 /nfs/dbraw/zinc/54/97/77/1095549777.db2.gz GWOHBXABNNIPAG-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320338 1095549785 /nfs/dbraw/zinc/54/97/85/1095549785.db2.gz GWOHBXABNNIPAG-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320255 1095551413 /nfs/dbraw/zinc/55/14/13/1095551413.db2.gz FHXRCHMATJGVQE-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222359946 1095572109 /nfs/dbraw/zinc/57/21/09/1095572109.db2.gz CAZYYOLBODJMDX-ZWQJFZRQSA-N 2 1 318.505 3.047 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222359946 1095572118 /nfs/dbraw/zinc/57/21/18/1095572118.db2.gz CAZYYOLBODJMDX-ZWQJFZRQSA-N 2 1 318.505 3.047 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-n4cccc4)cc3)C2)CC1 ZINC001144245725 1095574137 /nfs/dbraw/zinc/57/41/37/1095574137.db2.gz DCKZZMUGWUWFRX-UHFFFAOYSA-N 2 1 309.457 3.395 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407638 1095600343 /nfs/dbraw/zinc/60/03/43/1095600343.db2.gz LFKNIZSNQCRJFZ-UHFFFAOYSA-N 2 1 302.462 3.012 20 0 DGADMP Clc1ccc2[nH]nc(C[NH+]3CCC4(CCC[NH2+]C4)CC3)c2c1 ZINC001222453117 1095621705 /nfs/dbraw/zinc/62/17/05/1095621705.db2.gz QNWHEDQOFBYLFE-UHFFFAOYSA-N 2 1 318.852 3.182 20 0 DGADMP C[NH+]1CCC(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001222503601 1095643150 /nfs/dbraw/zinc/64/31/50/1095643150.db2.gz BUZHTXSGILEVAL-OPVJXMOQSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144414386 1095647630 /nfs/dbraw/zinc/64/76/30/1095647630.db2.gz FIZKYKPDXKMFEO-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144414386 1095647637 /nfs/dbraw/zinc/64/76/37/1095647637.db2.gz FIZKYKPDXKMFEO-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP c1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC23C[NH2+]C3)cc1 ZINC001222596357 1095682278 /nfs/dbraw/zinc/68/22/78/1095682278.db2.gz UZQOJRTYCNVMOO-NRFANRHFSA-N 2 1 318.464 3.364 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C)c1 ZINC001222602509 1095688052 /nfs/dbraw/zinc/68/80/52/1095688052.db2.gz RRBXOIKBGDVNPF-FQEVSTJZSA-N 2 1 322.452 3.193 20 0 DGADMP c1cc2ccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2[nH]1 ZINC001222601881 1095688109 /nfs/dbraw/zinc/68/81/09/1095688109.db2.gz CAUZJQDIOZLNKC-IBGZPJMESA-N 2 1 317.436 3.357 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222602512 1095688151 /nfs/dbraw/zinc/68/81/51/1095688151.db2.gz RSHOYUUSCFFKMO-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222602512 1095688155 /nfs/dbraw/zinc/68/81/55/1095688155.db2.gz RSHOYUUSCFFKMO-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cccc(F)c1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609720 1095692384 /nfs/dbraw/zinc/69/23/84/1095692384.db2.gz POQIKDPZUWNDFW-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cccc(F)c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609720 1095692387 /nfs/dbraw/zinc/69/23/87/1095692387.db2.gz POQIKDPZUWNDFW-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222623168 1095698792 /nfs/dbraw/zinc/69/87/92/1095698792.db2.gz DHSUUTQMLPOPSY-UIBIWLFHSA-N 2 1 304.865 3.375 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629226 1095699641 /nfs/dbraw/zinc/69/96/41/1095699641.db2.gz FDWICJMYOGPJFF-GASCZTMLSA-N 2 1 306.425 3.044 20 0 DGADMP Fc1cc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC001222629180 1095701068 /nfs/dbraw/zinc/70/10/68/1095701068.db2.gz DFYRQHJDLKEKGR-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP CC[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](CC)CC ZINC001137992788 1095821367 /nfs/dbraw/zinc/82/13/67/1095821367.db2.gz MQWXWVJCEIVLIS-SFHVURJKSA-N 2 1 315.461 3.224 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232797 1095870241 /nfs/dbraw/zinc/87/02/41/1095870241.db2.gz XYECKJHPABNFDB-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232797 1095870253 /nfs/dbraw/zinc/87/02/53/1095870253.db2.gz XYECKJHPABNFDB-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232797 1095870267 /nfs/dbraw/zinc/87/02/67/1095870267.db2.gz XYECKJHPABNFDB-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232797 1095870280 /nfs/dbraw/zinc/87/02/80/1095870280.db2.gz XYECKJHPABNFDB-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cnc3Cl)C[C@H]2CC1 ZINC001276872347 1095906059 /nfs/dbraw/zinc/90/60/59/1095906059.db2.gz HKJPCDLGNKTJRF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cnc3Cl)C[C@H]2CC1 ZINC001276872347 1095906070 /nfs/dbraw/zinc/90/60/70/1095906070.db2.gz HKJPCDLGNKTJRF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cnc3Cl)C[C@H]2CC1 ZINC001276872347 1095906082 /nfs/dbraw/zinc/90/60/82/1095906082.db2.gz HKJPCDLGNKTJRF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC001117953392 1095910286 /nfs/dbraw/zinc/91/02/86/1095910286.db2.gz GCUODBSYSSBNNG-SECBINFHSA-N 2 1 305.647 3.190 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001340527311 1095970218 /nfs/dbraw/zinc/97/02/18/1095970218.db2.gz LGDFFZPHMKNSCC-HYVNUMGLSA-N 2 1 318.461 3.199 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)CC2 ZINC001171288170 1096120693 /nfs/dbraw/zinc/12/06/93/1096120693.db2.gz JFHCZGHRZPUPJU-UONOGXRCSA-N 2 1 322.880 3.280 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001171289311 1096123477 /nfs/dbraw/zinc/12/34/77/1096123477.db2.gz RFMRSDUZSVXJJB-KBPBESRZSA-N 2 1 322.880 3.280 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc4cc[nH]c43)C[C@H]2CC1 ZINC001276943295 1096128677 /nfs/dbraw/zinc/12/86/77/1096128677.db2.gz VCIVLRKDYONLIN-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cc4cc[nH]c43)C[C@H]2CC1 ZINC001276943295 1096128682 /nfs/dbraw/zinc/12/86/82/1096128682.db2.gz VCIVLRKDYONLIN-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)cc4cc[nH]c43)C[C@H]2CC1 ZINC001276943295 1096128684 /nfs/dbraw/zinc/12/86/84/1096128684.db2.gz VCIVLRKDYONLIN-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CCC(CO[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001224455796 1096216195 /nfs/dbraw/zinc/21/61/95/1096216195.db2.gz WFSGHVDRVJDEAD-KRWDZBQOSA-N 2 1 322.880 3.273 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC001119541734 1096224109 /nfs/dbraw/zinc/22/41/09/1096224109.db2.gz RYNPXNNNAHRIBF-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001224707657 1096269602 /nfs/dbraw/zinc/26/96/02/1096269602.db2.gz SFOQUWGHAMLWGG-QZTJIDSGSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707657 1096269607 /nfs/dbraw/zinc/26/96/07/1096269607.db2.gz SFOQUWGHAMLWGG-QZTJIDSGSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707657 1096269610 /nfs/dbraw/zinc/26/96/10/1096269610.db2.gz SFOQUWGHAMLWGG-QZTJIDSGSA-N 2 1 322.880 3.415 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[NH+]1CCCC1 ZINC001224748352 1096278252 /nfs/dbraw/zinc/27/82/52/1096278252.db2.gz OMBKOXAEDCQIEW-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001224830455 1096297259 /nfs/dbraw/zinc/29/72/59/1096297259.db2.gz OELPHBZHYNGRFT-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224830455 1096297268 /nfs/dbraw/zinc/29/72/68/1096297268.db2.gz OELPHBZHYNGRFT-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224830455 1096297277 /nfs/dbraw/zinc/29/72/77/1096297277.db2.gz OELPHBZHYNGRFT-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001224925832 1096315336 /nfs/dbraw/zinc/31/53/36/1096315336.db2.gz UXGOFZXBKAIUEA-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001224929056 1096315442 /nfs/dbraw/zinc/31/54/42/1096315442.db2.gz ZDLDIOUPVRPENO-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001224931721 1096316943 /nfs/dbraw/zinc/31/69/43/1096316943.db2.gz IUYUQJBAGAHEHK-SLFFLAALSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C)Cc1ccccc1N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001277007592 1096317506 /nfs/dbraw/zinc/31/75/06/1096317506.db2.gz WSGJVIYDJNMYDR-UHFFFAOYSA-N 2 1 313.489 3.203 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171345737 1096494821 /nfs/dbraw/zinc/49/48/21/1096494821.db2.gz MUOPRMPHQWVFLN-OAHLLOKOSA-N 2 1 306.400 3.039 20 0 DGADMP Cc1cc(N2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cc[nH+]1 ZINC001277065339 1096507965 /nfs/dbraw/zinc/50/79/65/1096507965.db2.gz VNKHJMBTGOADPP-UHFFFAOYSA-N 2 1 310.445 3.211 20 0 DGADMP CCOc1cc(OC)ccc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277122665 1096672058 /nfs/dbraw/zinc/67/20/58/1096672058.db2.gz QJFKLWNLVHLMFQ-IBGZPJMESA-N 2 1 318.461 3.012 20 0 DGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001226766650 1096771676 /nfs/dbraw/zinc/77/16/76/1096771676.db2.gz MTDXJMNQLPEDQY-RCCFBDPRSA-N 2 1 323.525 3.066 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(NCC3(c4ccccc4)CC3)cn12 ZINC001171466608 1096902987 /nfs/dbraw/zinc/90/29/87/1096902987.db2.gz MFUHLNTVMBEOSZ-UHFFFAOYSA-N 2 1 318.424 3.165 20 0 DGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(OC)c1 ZINC001171618999 1096935640 /nfs/dbraw/zinc/93/56/40/1096935640.db2.gz YYTGDOILDXMJIV-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP C[NH+]1C(C)(C)CC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1(C)C ZINC001171625339 1096937931 /nfs/dbraw/zinc/93/79/31/1096937931.db2.gz HVTLGWRPODIHMW-XGBSXSJOSA-N 2 1 307.526 3.243 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171625339 1096937935 /nfs/dbraw/zinc/93/79/35/1096937935.db2.gz HVTLGWRPODIHMW-XGBSXSJOSA-N 2 1 307.526 3.243 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1(C)C ZINC001171625339 1096937941 /nfs/dbraw/zinc/93/79/41/1096937941.db2.gz HVTLGWRPODIHMW-XGBSXSJOSA-N 3 1 307.526 3.243 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1(C)C ZINC001171625339 1096937945 /nfs/dbraw/zinc/93/79/45/1096937945.db2.gz HVTLGWRPODIHMW-XGBSXSJOSA-N 3 1 307.526 3.243 20 0 DGADMP CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637401 1096947980 /nfs/dbraw/zinc/94/79/80/1096947980.db2.gz MCDPUOAMXQJYKS-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP CCCNC(=O)[C@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637401 1096947983 /nfs/dbraw/zinc/94/79/83/1096947983.db2.gz MCDPUOAMXQJYKS-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCOC(=O)[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171640294 1096949812 /nfs/dbraw/zinc/94/98/12/1096949812.db2.gz AVMGRBLQJXTUFI-OAHLLOKOSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@H](n2ccc3cc(C[NH3+])cnc32)C[N@H+]1Cc1ccccc1 ZINC001171725431 1096954728 /nfs/dbraw/zinc/95/47/28/1096954728.db2.gz LVGPLMGVQZTJRB-BEFAXECRSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](n2c3ccccc3nc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727388 1096955338 /nfs/dbraw/zinc/95/53/38/1096955338.db2.gz VLETUFKLLZVXFR-WBVHZDCISA-N 2 1 320.440 3.331 20 0 DGADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171766243 1096966837 /nfs/dbraw/zinc/96/68/37/1096966837.db2.gz CGGAZZFEDXHPDT-MISYRCLQSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171766243 1096966838 /nfs/dbraw/zinc/96/68/38/1096966838.db2.gz CGGAZZFEDXHPDT-MISYRCLQSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171766243 1096966839 /nfs/dbraw/zinc/96/68/39/1096966839.db2.gz CGGAZZFEDXHPDT-MISYRCLQSA-N 2 1 315.505 3.064 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171968657 1097008478 /nfs/dbraw/zinc/00/84/78/1097008478.db2.gz QPWWYZGFRRCZDJ-ROUUACIJSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)c1ccc(C(C)(C)NC[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC001171925527 1097009365 /nfs/dbraw/zinc/00/93/65/1097009365.db2.gz IIPLKTROFGIEFY-GOSISDBHSA-N 2 1 306.494 3.336 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC001171925527 1097009375 /nfs/dbraw/zinc/00/93/75/1097009375.db2.gz IIPLKTROFGIEFY-GOSISDBHSA-N 2 1 306.494 3.336 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153238 1097018942 /nfs/dbraw/zinc/01/89/42/1097018942.db2.gz CITMWWLQWJTESE-CVEARBPZSA-N 2 1 316.461 3.041 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153238 1097018950 /nfs/dbraw/zinc/01/89/50/1097018950.db2.gz CITMWWLQWJTESE-CVEARBPZSA-N 2 1 316.461 3.041 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCC2COC2)CC[N@H+]1Cc1ccccc1 ZINC001171977443 1097024991 /nfs/dbraw/zinc/02/49/91/1097024991.db2.gz BEXYBRIYUNCGFL-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976522 1097025962 /nfs/dbraw/zinc/02/59/62/1097025962.db2.gz SJLYNQWFVAIHAZ-RBUKOAKNSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171982742 1097027114 /nfs/dbraw/zinc/02/71/14/1097027114.db2.gz SUBQLHRJYWNORK-IBGZPJMESA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988471 1097029035 /nfs/dbraw/zinc/02/90/35/1097029035.db2.gz RUARJGXPHFOGDV-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988471 1097029039 /nfs/dbraw/zinc/02/90/39/1097029039.db2.gz RUARJGXPHFOGDV-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988471 1097029046 /nfs/dbraw/zinc/02/90/46/1097029046.db2.gz RUARJGXPHFOGDV-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988471 1097029053 /nfs/dbraw/zinc/02/90/53/1097029053.db2.gz RUARJGXPHFOGDV-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988471 1097029056 /nfs/dbraw/zinc/02/90/56/1097029056.db2.gz RUARJGXPHFOGDV-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206154426 1097037002 /nfs/dbraw/zinc/03/70/02/1097037002.db2.gz IYWOHXMYPKJAFT-ZIAGYGMSSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206154426 1097037007 /nfs/dbraw/zinc/03/70/07/1097037007.db2.gz IYWOHXMYPKJAFT-ZIAGYGMSSA-N 2 1 304.331 3.009 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)C2 ZINC001172099651 1097041872 /nfs/dbraw/zinc/04/18/72/1097041872.db2.gz MCSMXZRHRWJAKT-CLLJXQQHSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)C2 ZINC001172099651 1097041877 /nfs/dbraw/zinc/04/18/77/1097041877.db2.gz MCSMXZRHRWJAKT-CLLJXQQHSA-N 2 1 313.367 3.205 20 0 DGADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064015 1097043887 /nfs/dbraw/zinc/04/38/87/1097043887.db2.gz DEPUNUQBXRSUOO-OUUBHVDSSA-N 2 1 314.473 3.075 20 0 DGADMP C[C@]1(O)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068820 1097045835 /nfs/dbraw/zinc/04/58/35/1097045835.db2.gz LDOIRHWEIWIYBT-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068820 1097045839 /nfs/dbraw/zinc/04/58/39/1097045839.db2.gz LDOIRHWEIWIYBT-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068820 1097045844 /nfs/dbraw/zinc/04/58/44/1097045844.db2.gz LDOIRHWEIWIYBT-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068820 1097045849 /nfs/dbraw/zinc/04/58/49/1097045849.db2.gz LDOIRHWEIWIYBT-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP c1cn(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172069542 1097046369 /nfs/dbraw/zinc/04/63/69/1097046369.db2.gz UYIZMQGZLNEAOG-OWZKRDHZSA-N 2 1 324.472 3.058 20 0 DGADMP CC(C)(CO)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068448 1097046872 /nfs/dbraw/zinc/04/68/72/1097046872.db2.gz QVIOPIJJCPBALO-LDLYASANSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C(=O)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)C12CCCC2 ZINC001172129878 1097049176 /nfs/dbraw/zinc/04/91/76/1097049176.db2.gz DTCOBVGBWDXXNM-MWDXBVQZSA-N 2 1 304.478 3.225 20 0 DGADMP COc1ccc(Cl)cc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104125 1097052304 /nfs/dbraw/zinc/05/23/04/1097052304.db2.gz ZVHRDIMXOBFBQQ-MUJYYYPQSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104125 1097052311 /nfs/dbraw/zinc/05/23/11/1097052311.db2.gz ZVHRDIMXOBFBQQ-MUJYYYPQSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104125 1097052317 /nfs/dbraw/zinc/05/23/17/1097052317.db2.gz ZVHRDIMXOBFBQQ-MUJYYYPQSA-N 2 1 308.853 3.454 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)C2 ZINC001172101809 1097052411 /nfs/dbraw/zinc/05/24/11/1097052411.db2.gz BLBOXBQSARLVHO-BTTYYORXSA-N 2 1 324.371 3.113 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)C2 ZINC001172101809 1097052416 /nfs/dbraw/zinc/05/24/16/1097052416.db2.gz BLBOXBQSARLVHO-BTTYYORXSA-N 2 1 324.371 3.113 20 0 DGADMP COc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172104394 1097052526 /nfs/dbraw/zinc/05/25/26/1097052526.db2.gz CKGGQXNRHMPDMY-QDMKHBRRSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001172104394 1097052533 /nfs/dbraw/zinc/05/25/33/1097052533.db2.gz CKGGQXNRHMPDMY-QDMKHBRRSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172104394 1097052539 /nfs/dbraw/zinc/05/25/39/1097052539.db2.gz CKGGQXNRHMPDMY-QDMKHBRRSA-N 2 1 308.853 3.454 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(N(C)C)c1 ZINC001172108540 1097053907 /nfs/dbraw/zinc/05/39/07/1097053907.db2.gz BCEDERUKPHELDF-OYSPMZIOSA-N 2 1 301.478 3.419 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(N(C)C)c1 ZINC001172108540 1097053911 /nfs/dbraw/zinc/05/39/11/1097053911.db2.gz BCEDERUKPHELDF-OYSPMZIOSA-N 2 1 301.478 3.419 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(O)cc3)CC1)C2 ZINC001172108557 1097054255 /nfs/dbraw/zinc/05/42/55/1097054255.db2.gz BIEWRRITUUOWFP-OSYLJGHBSA-N 2 1 300.446 3.072 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(O)cc3)CC1)C2 ZINC001172108557 1097054260 /nfs/dbraw/zinc/05/42/60/1097054260.db2.gz BIEWRRITUUOWFP-OSYLJGHBSA-N 2 1 300.446 3.072 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COc3ccc(Cl)cc31)C2 ZINC001172113343 1097058438 /nfs/dbraw/zinc/05/84/38/1097058438.db2.gz GNZLSCVKLAOPAV-FQLMCAECSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COc3ccc(Cl)cc31)C2 ZINC001172113343 1097058441 /nfs/dbraw/zinc/05/84/41/1097058441.db2.gz GNZLSCVKLAOPAV-FQLMCAECSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1cc3ccccc3o1)C2 ZINC001172112006 1097058926 /nfs/dbraw/zinc/05/89/26/1097058926.db2.gz YZQQBTQNXFBESD-YYIAUSFCSA-N 2 1 314.429 3.071 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(OC3CCC3)n1)C2 ZINC001172114231 1097060477 /nfs/dbraw/zinc/06/04/77/1097060477.db2.gz MJWOCTVREOSJNI-OSYLJGHBSA-N 2 1 315.461 3.118 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(OC3CCC3)n1)C2 ZINC001172114231 1097060485 /nfs/dbraw/zinc/06/04/85/1097060485.db2.gz MJWOCTVREOSJNI-OSYLJGHBSA-N 2 1 315.461 3.118 20 0 DGADMP COc1cncc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172113544 1097061798 /nfs/dbraw/zinc/06/17/98/1097061798.db2.gz KBTZFXLBRIDUEB-VXIBKDFQSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cncc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172113544 1097061805 /nfs/dbraw/zinc/06/18/05/1097061805.db2.gz KBTZFXLBRIDUEB-VXIBKDFQSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120873 1097063632 /nfs/dbraw/zinc/06/36/32/1097063632.db2.gz GRMQLXUOAPQJHK-HAGHYFMRSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120873 1097063638 /nfs/dbraw/zinc/06/36/38/1097063638.db2.gz GRMQLXUOAPQJHK-HAGHYFMRSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120873 1097063645 /nfs/dbraw/zinc/06/36/45/1097063645.db2.gz GRMQLXUOAPQJHK-HAGHYFMRSA-N 2 1 319.537 3.342 20 0 DGADMP CC1CCC([NH+]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001172121998 1097064346 /nfs/dbraw/zinc/06/43/46/1097064346.db2.gz OQQVKVOKPIKIOI-DAKUTMNPSA-N 2 1 319.537 3.198 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001172123488 1097066547 /nfs/dbraw/zinc/06/65/47/1097066547.db2.gz DKUDRTDYHPQTKY-CENDIDJXSA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C2 ZINC001172123488 1097066550 /nfs/dbraw/zinc/06/65/50/1097066550.db2.gz DKUDRTDYHPQTKY-CENDIDJXSA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C2 ZINC001172123488 1097066556 /nfs/dbraw/zinc/06/65/56/1097066556.db2.gz DKUDRTDYHPQTKY-CENDIDJXSA-N 3 1 319.537 3.341 20 0 DGADMP c1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CS2 ZINC001172192118 1097069159 /nfs/dbraw/zinc/06/91/59/1097069159.db2.gz BXCNORGDTVNCAF-QGZVFWFLSA-N 2 1 302.487 3.264 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CSc3ccccc3C2)[C@H](C)C1 ZINC001172194619 1097084923 /nfs/dbraw/zinc/08/49/23/1097084923.db2.gz VRBCRTAEFWLLCS-HYVNUMGLSA-N 2 1 304.503 3.412 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2cccc(F)c2)CC1 ZINC001172248471 1097090076 /nfs/dbraw/zinc/09/00/76/1097090076.db2.gz JOJAHRKBTMNARK-UHFFFAOYSA-N 2 1 322.468 3.237 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2C)CC1 ZINC001172249250 1097090445 /nfs/dbraw/zinc/09/04/45/1097090445.db2.gz ZRXMMNKAEIENGF-UHFFFAOYSA-N 2 1 304.478 3.321 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001172253343 1097091544 /nfs/dbraw/zinc/09/15/44/1097091544.db2.gz LUPLTTZKZPBLNF-LJQANCHMSA-N 2 1 302.462 3.324 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001172253343 1097091551 /nfs/dbraw/zinc/09/15/51/1097091551.db2.gz LUPLTTZKZPBLNF-LJQANCHMSA-N 2 1 302.462 3.324 20 0 DGADMP CC[N@H+](Cc1ccc(C)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172253837 1097091903 /nfs/dbraw/zinc/09/19/03/1097091903.db2.gz CZPRZRDHGQFFCT-UHFFFAOYSA-N 2 1 304.478 3.318 20 0 DGADMP CC[N@@H+](Cc1ccc(C)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172253837 1097091909 /nfs/dbraw/zinc/09/19/09/1097091909.db2.gz CZPRZRDHGQFFCT-UHFFFAOYSA-N 2 1 304.478 3.318 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001172255039 1097092139 /nfs/dbraw/zinc/09/21/39/1097092139.db2.gz GLLCRZZGIHFGNN-IBGZPJMESA-N 2 1 320.452 3.464 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001172255039 1097092145 /nfs/dbraw/zinc/09/21/45/1097092145.db2.gz GLLCRZZGIHFGNN-IBGZPJMESA-N 2 1 320.452 3.464 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)C(C)(C)Cc2ccccc2)CC1 ZINC001172254755 1097092177 /nfs/dbraw/zinc/09/21/77/1097092177.db2.gz WBXHWSWXEGNUNC-UHFFFAOYSA-N 2 1 318.505 3.440 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)C(C)(C)Cc2ccccc2)CC1 ZINC001172254755 1097092182 /nfs/dbraw/zinc/09/21/82/1097092182.db2.gz WBXHWSWXEGNUNC-UHFFFAOYSA-N 2 1 318.505 3.440 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001172253042 1097092234 /nfs/dbraw/zinc/09/22/34/1097092234.db2.gz ZYYNZBMOJSFAOO-IBGZPJMESA-N 2 1 320.452 3.464 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001172253042 1097092237 /nfs/dbraw/zinc/09/22/37/1097092237.db2.gz ZYYNZBMOJSFAOO-IBGZPJMESA-N 2 1 320.452 3.464 20 0 DGADMP CC[C@@H](C)OCC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172335909 1097116877 /nfs/dbraw/zinc/11/68/77/1097116877.db2.gz LEAJKOLAKWIFLF-JKSUJKDBSA-N 3 1 315.546 3.055 20 0 DGADMP CCOCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172430655 1097138991 /nfs/dbraw/zinc/13/89/91/1097138991.db2.gz JEIWQSXCUORBOR-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172430655 1097138993 /nfs/dbraw/zinc/13/89/93/1097138993.db2.gz JEIWQSXCUORBOR-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172430655 1097138994 /nfs/dbraw/zinc/13/89/94/1097138994.db2.gz JEIWQSXCUORBOR-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172394717 1097143866 /nfs/dbraw/zinc/14/38/66/1097143866.db2.gz YVYPRPFTANJLBS-AQNXPRMDSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172394717 1097143869 /nfs/dbraw/zinc/14/38/69/1097143869.db2.gz YVYPRPFTANJLBS-AQNXPRMDSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1ccc[nH+]c1N([C@@H](C)CCOCC(C)C)C1CC[NH2+]CC1 ZINC001172479622 1097149754 /nfs/dbraw/zinc/14/97/54/1097149754.db2.gz KTMMTSQAUVPTTF-KRWDZBQOSA-N 2 1 319.493 3.400 20 0 DGADMP CC(C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172437860 1097154118 /nfs/dbraw/zinc/15/41/18/1097154118.db2.gz WVKUCHUGANOWSX-OAHLLOKOSA-N 2 1 308.441 3.279 20 0 DGADMP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172442470 1097156196 /nfs/dbraw/zinc/15/61/96/1097156196.db2.gz KDEPSYVSTDVINQ-SFHVURJKSA-N 2 1 318.505 3.487 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001172446127 1097156742 /nfs/dbraw/zinc/15/67/42/1097156742.db2.gz IGCRHUMIFLMGIU-ZACQAIPSSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172446127 1097156747 /nfs/dbraw/zinc/15/67/47/1097156747.db2.gz IGCRHUMIFLMGIU-ZACQAIPSSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172446127 1097156752 /nfs/dbraw/zinc/15/67/52/1097156752.db2.gz IGCRHUMIFLMGIU-ZACQAIPSSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172446127 1097156756 /nfs/dbraw/zinc/15/67/56/1097156756.db2.gz IGCRHUMIFLMGIU-ZACQAIPSSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172446127 1097156760 /nfs/dbraw/zinc/15/67/60/1097156760.db2.gz IGCRHUMIFLMGIU-ZACQAIPSSA-N 2 1 322.518 3.315 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172604946 1097192433 /nfs/dbraw/zinc/19/24/33/1097192433.db2.gz NJSKOXRPBKIIPC-LUKYLMHMSA-N 2 1 324.509 3.336 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778192 1097239477 /nfs/dbraw/zinc/23/94/77/1097239477.db2.gz LGLFNNBTIAWHQA-LAQRGFTBSA-N 2 1 322.493 3.233 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781363 1097241315 /nfs/dbraw/zinc/24/13/15/1097241315.db2.gz WOYIGOSYXKPHOO-FJIDUMEYSA-N 2 1 322.493 3.090 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172803264 1097254370 /nfs/dbraw/zinc/25/43/70/1097254370.db2.gz NKOJUNDFMFYMTE-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP Cc1ccc2c(c1)C[C@H](N1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001172838340 1097256092 /nfs/dbraw/zinc/25/60/92/1097256092.db2.gz NZEOOSXLEYBSBK-RTWAWAEBSA-N 2 1 306.453 3.238 20 0 DGADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927050 1097283105 /nfs/dbraw/zinc/28/31/05/1097283105.db2.gz CWEXDKJYRRBEFS-WNHJNPCNSA-N 2 1 317.477 3.111 20 0 DGADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929677 1097284032 /nfs/dbraw/zinc/28/40/32/1097284032.db2.gz OSFLREASVHXQQK-VJANTYMQSA-N 2 1 317.477 3.111 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H](C)C1 ZINC001173044397 1097311707 /nfs/dbraw/zinc/31/17/07/1097311707.db2.gz CDZBKXPTOJIREX-SJLPKXTDSA-N 2 1 308.510 3.434 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3c(O)cccc3C2)CC1 ZINC001173109699 1097331833 /nfs/dbraw/zinc/33/18/33/1097331833.db2.gz JQVIEGODIZHXKT-UHFFFAOYSA-N 2 1 302.462 3.403 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2CCN(CC3CCC3)CC2)CC1 ZINC001173107312 1097331841 /nfs/dbraw/zinc/33/18/41/1097331841.db2.gz OJRHEQXUGDXRFZ-UHFFFAOYSA-N 2 1 321.553 3.494 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001173108054 1097332012 /nfs/dbraw/zinc/33/20/12/1097332012.db2.gz CUIUUVLYZMHNHR-MKCYZYCBSA-N 3 1 309.542 3.348 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCN(C(C)C)C[C@@H]2C)CC1 ZINC001173108054 1097332016 /nfs/dbraw/zinc/33/20/16/1097332016.db2.gz CUIUUVLYZMHNHR-MKCYZYCBSA-N 2 1 309.542 3.348 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CCO)Cc2ccccc2)CC1 ZINC001173109162 1097332187 /nfs/dbraw/zinc/33/21/87/1097332187.db2.gz YNTLQFGUYNAAKO-UHFFFAOYSA-N 2 1 304.478 3.134 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001173114249 1097333094 /nfs/dbraw/zinc/33/30/94/1097333094.db2.gz DEHMPPYHLGUTTE-LEOMRAHMSA-N 2 1 302.466 3.267 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](C(C)C)C2CCN(C)CC2)CC1 ZINC001173114030 1097333317 /nfs/dbraw/zinc/33/33/17/1097333317.db2.gz SVYKRQTVIXVLHQ-UHFFFAOYSA-N 2 1 309.542 3.444 20 0 DGADMP C[N@H+]1CCCN(CC[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC001173115620 1097333690 /nfs/dbraw/zinc/33/36/90/1097333690.db2.gz HEMKCDGTGGOOQS-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2ncsc2C1 ZINC001173133437 1097339297 /nfs/dbraw/zinc/33/92/97/1097339297.db2.gz WVTHCCPCAIUJKU-KKUMJFAQSA-N 2 1 307.507 3.228 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173140063 1097342861 /nfs/dbraw/zinc/34/28/61/1097342861.db2.gz VWRTYWJERURYBJ-OAHLLOKOSA-N 2 1 307.507 3.053 20 0 DGADMP CCc1ccc(C)[nH+]c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212709341 1097352605 /nfs/dbraw/zinc/35/26/05/1097352605.db2.gz PENHWTVIFYCZNM-UHFFFAOYSA-N 2 1 310.445 3.448 20 0 DGADMP c1cn2c([nH+]1)CC[N@H+](C1CCC(Oc3ccccc3)CC1)CC2 ZINC001173203097 1097362437 /nfs/dbraw/zinc/36/24/37/1097362437.db2.gz IPTUYQRXPPOXJE-UHFFFAOYSA-N 2 1 311.429 3.131 20 0 DGADMP c1cn2c([nH+]1)CC[N@@H+](C1CCC(Oc3ccccc3)CC1)CC2 ZINC001173203097 1097362442 /nfs/dbraw/zinc/36/24/42/1097362442.db2.gz IPTUYQRXPPOXJE-UHFFFAOYSA-N 2 1 311.429 3.131 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173168528 1097363350 /nfs/dbraw/zinc/36/33/50/1097363350.db2.gz KKEDADMWCYDPQV-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001173268632 1097389808 /nfs/dbraw/zinc/38/98/08/1097389808.db2.gz ZINBLTPNHXQWOL-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277160 1097409983 /nfs/dbraw/zinc/40/99/83/1097409983.db2.gz JNQXTHWMAJIHRP-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277160 1097409987 /nfs/dbraw/zinc/40/99/87/1097409987.db2.gz JNQXTHWMAJIHRP-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)C1 ZINC001173277160 1097409990 /nfs/dbraw/zinc/40/99/90/1097409990.db2.gz JNQXTHWMAJIHRP-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)C1 ZINC001173277160 1097409994 /nfs/dbraw/zinc/40/99/94/1097409994.db2.gz JNQXTHWMAJIHRP-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173476714 1097445907 /nfs/dbraw/zinc/44/59/07/1097445907.db2.gz SLYOXSHPCSDTPX-PHZGNYQRSA-N 2 1 306.400 3.037 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173476714 1097445909 /nfs/dbraw/zinc/44/59/09/1097445909.db2.gz SLYOXSHPCSDTPX-PHZGNYQRSA-N 2 1 306.400 3.037 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633865 1097480856 /nfs/dbraw/zinc/48/08/56/1097480856.db2.gz MYZPLNOGZGYTMU-TVFCKZIOSA-N 2 1 322.493 3.090 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC001206214874 1097503995 /nfs/dbraw/zinc/50/39/95/1097503995.db2.gz GCTMAOANSMKFLU-IKGGRYGDSA-N 2 1 308.510 3.434 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc2c1 ZINC001231445438 1097751957 /nfs/dbraw/zinc/75/19/57/1097751957.db2.gz XDCARWFTGDAZAY-TZIWHRDSSA-N 2 1 323.484 3.289 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc2c1 ZINC001231445438 1097751961 /nfs/dbraw/zinc/75/19/61/1097751961.db2.gz XDCARWFTGDAZAY-TZIWHRDSSA-N 2 1 323.484 3.289 20 0 DGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001174705919 1097814076 /nfs/dbraw/zinc/81/40/76/1097814076.db2.gz WHKSIMFRVOIICL-XXCOWLKOSA-N 2 1 323.525 3.092 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001231876353 1097875624 /nfs/dbraw/zinc/87/56/24/1097875624.db2.gz HWPXCEVSGXFOQN-VQTJNVASSA-N 2 1 315.505 3.020 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(C)n1 ZINC001232000247 1097911293 /nfs/dbraw/zinc/91/12/93/1097911293.db2.gz HADBUTQWNFUERD-NHCUHLMSSA-N 2 1 321.468 3.262 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016800 1097917977 /nfs/dbraw/zinc/91/79/77/1097917977.db2.gz HXJLUKIKKTWRFS-UHFFFAOYSA-N 2 1 308.429 3.127 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001232146736 1097949986 /nfs/dbraw/zinc/94/99/86/1097949986.db2.gz FYZRMIHZXZJJRA-GOSISDBHSA-N 2 1 313.420 3.272 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001175211258 1097973818 /nfs/dbraw/zinc/97/38/18/1097973818.db2.gz LRFDJTXUMCSTIM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001175211258 1097973820 /nfs/dbraw/zinc/97/38/20/1097973820.db2.gz LRFDJTXUMCSTIM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001175211258 1097973824 /nfs/dbraw/zinc/97/38/24/1097973824.db2.gz LRFDJTXUMCSTIM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001175211258 1097973826 /nfs/dbraw/zinc/97/38/26/1097973826.db2.gz LRFDJTXUMCSTIM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccnc(C(F)(F)F)c3)C2)CC1 ZINC001232240929 1097978609 /nfs/dbraw/zinc/97/86/09/1097978609.db2.gz WIESAFFCJGEUOA-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP COCc1cccc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001232257112 1097983813 /nfs/dbraw/zinc/98/38/13/1097983813.db2.gz IVKNQEMXGVYYLN-OALUTQOASA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001232257112 1097983820 /nfs/dbraw/zinc/98/38/20/1097983820.db2.gz IVKNQEMXGVYYLN-OALUTQOASA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001232257112 1097983825 /nfs/dbraw/zinc/98/38/25/1097983825.db2.gz IVKNQEMXGVYYLN-OALUTQOASA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001232257112 1097983832 /nfs/dbraw/zinc/98/38/32/1097983832.db2.gz IVKNQEMXGVYYLN-OALUTQOASA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001232257112 1097983836 /nfs/dbraw/zinc/98/38/36/1097983836.db2.gz IVKNQEMXGVYYLN-OALUTQOASA-N 2 1 317.477 3.067 20 0 DGADMP CC[C@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001175250067 1097985624 /nfs/dbraw/zinc/98/56/24/1097985624.db2.gz MOSJDDDQKNCHGP-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c2ncccc12 ZINC001232281493 1097991113 /nfs/dbraw/zinc/99/11/13/1097991113.db2.gz JNFSDSRCUHODLR-UHFFFAOYSA-N 2 1 301.434 3.104 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)ccc1N ZINC001232512564 1098064064 /nfs/dbraw/zinc/06/40/64/1098064064.db2.gz WTFGKQPUVNHAKZ-DLBZAZTESA-N 2 1 305.441 3.247 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)ccc1N ZINC001232512564 1098064069 /nfs/dbraw/zinc/06/40/69/1098064069.db2.gz WTFGKQPUVNHAKZ-DLBZAZTESA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1N ZINC001232512564 1098064076 /nfs/dbraw/zinc/06/40/76/1098064076.db2.gz WTFGKQPUVNHAKZ-DLBZAZTESA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1N ZINC001232512564 1098064080 /nfs/dbraw/zinc/06/40/80/1098064080.db2.gz WTFGKQPUVNHAKZ-DLBZAZTESA-N 2 1 305.441 3.247 20 0 DGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528377 1098084005 /nfs/dbraw/zinc/08/40/05/1098084005.db2.gz FJOQEIFPUUROIA-INIZCTEOSA-N 2 1 322.497 3.071 20 0 DGADMP c1c[nH]c(C[N@H+]2CCC[C@@]3(CCCN(c4cc[nH+]cc4)C3)C2)c1 ZINC001277693797 1098105920 /nfs/dbraw/zinc/10/59/20/1098105920.db2.gz MPZVAGHWBWBDAP-LJQANCHMSA-N 2 1 310.445 3.292 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C[C@@H]2C1 ZINC001232729224 1098121164 /nfs/dbraw/zinc/12/11/64/1098121164.db2.gz SXXFSASVOPUUMG-KGLIPLIRSA-N 2 1 303.837 3.205 20 0 DGADMP c1nc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2s1 ZINC001232737411 1098124924 /nfs/dbraw/zinc/12/49/24/1098124924.db2.gz XNCUWTJTBAYTPN-UHFFFAOYSA-N 2 1 310.426 3.014 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4ncsc4c3)C2)CC1 ZINC001232742905 1098126587 /nfs/dbraw/zinc/12/65/87/1098126587.db2.gz GPOKOAAPEPUOEF-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3ncoc3c2)CC1 ZINC001232941702 1098178016 /nfs/dbraw/zinc/17/80/16/1098178016.db2.gz RXNAJCVONCFJIL-UHFFFAOYSA-N 2 1 322.412 3.270 20 0 DGADMP Cc1cc(Nc2c[nH+]c3ccc(Br)cn23)cc(C)[nH+]1 ZINC001176055107 1098252534 /nfs/dbraw/zinc/25/25/34/1098252534.db2.gz SEKSNELPNHLVOF-UHFFFAOYSA-N 2 1 317.190 3.274 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2nccn21 ZINC001233363504 1098301447 /nfs/dbraw/zinc/30/14/47/1098301447.db2.gz JXHJJQTYVMJJJJ-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2nccn21 ZINC001233363504 1098301453 /nfs/dbraw/zinc/30/14/53/1098301453.db2.gz JXHJJQTYVMJJJJ-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2nccn21 ZINC001233363504 1098301455 /nfs/dbraw/zinc/30/14/55/1098301455.db2.gz JXHJJQTYVMJJJJ-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2nccn21 ZINC001233363504 1098301462 /nfs/dbraw/zinc/30/14/62/1098301462.db2.gz JXHJJQTYVMJJJJ-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)o1 ZINC001233366860 1098303721 /nfs/dbraw/zinc/30/37/21/1098303721.db2.gz WINMYDAFQZMVPE-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176269050 1098310047 /nfs/dbraw/zinc/31/00/47/1098310047.db2.gz QIYROZGPLWDNAA-KRWDZBQOSA-N 2 1 313.530 3.173 20 0 DGADMP c1nn(CC[NH+]2CCCC2)cc1Nc1ccc2c[nH+]ccc2c1 ZINC001176559752 1098386854 /nfs/dbraw/zinc/38/68/54/1098386854.db2.gz ZSXDNGKQHIFOJR-UHFFFAOYSA-N 2 1 307.401 3.271 20 0 DGADMP Cc1cc(C)cc(C2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001176803114 1098436800 /nfs/dbraw/zinc/43/68/00/1098436800.db2.gz BVLGXOQOOOQVTG-FQEVSTJZSA-N 2 1 318.505 3.184 20 0 DGADMP Cc1cc(C)cc(C2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001176803114 1098436807 /nfs/dbraw/zinc/43/68/07/1098436807.db2.gz BVLGXOQOOOQVTG-FQEVSTJZSA-N 2 1 318.505 3.184 20 0 DGADMP CCOc1cccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001177298806 1098505916 /nfs/dbraw/zinc/50/59/16/1098505916.db2.gz FTBJQGSFHYNLJD-INIZCTEOSA-N 2 1 305.466 3.225 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001206304225 1098539650 /nfs/dbraw/zinc/53/96/50/1098539650.db2.gz HTNDHEILFCWCKO-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)CC1(C)C ZINC001177669334 1098574197 /nfs/dbraw/zinc/57/41/97/1098574197.db2.gz VOCRFFNYROMFOZ-OALUTQOASA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1(C)C ZINC001177669334 1098574204 /nfs/dbraw/zinc/57/42/04/1098574204.db2.gz VOCRFFNYROMFOZ-OALUTQOASA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1(C)C ZINC001177669334 1098574215 /nfs/dbraw/zinc/57/42/15/1098574215.db2.gz VOCRFFNYROMFOZ-OALUTQOASA-N 2 1 321.553 3.494 20 0 DGADMP CCN(Cc1[nH]c(C)nc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001234644566 1098628839 /nfs/dbraw/zinc/62/88/39/1098628839.db2.gz GCYQMKIMCUSSIO-GOSISDBHSA-N 2 1 312.461 3.123 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206317552 1098715602 /nfs/dbraw/zinc/71/56/02/1098715602.db2.gz GYFSYRYTAHFQLJ-KRWDZBQOSA-N 2 1 312.404 3.314 20 0 DGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234972001 1098730748 /nfs/dbraw/zinc/73/07/48/1098730748.db2.gz WBAKXAFUHXLHIJ-NHCUHLMSSA-N 2 1 322.452 3.082 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234972001 1098730756 /nfs/dbraw/zinc/73/07/56/1098730756.db2.gz WBAKXAFUHXLHIJ-NHCUHLMSSA-N 2 1 322.452 3.082 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1OCc1ccccc1 ZINC001234979508 1098731789 /nfs/dbraw/zinc/73/17/89/1098731789.db2.gz OKWSQSTWLBHHAH-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1OCc1ccccc1 ZINC001234979508 1098731798 /nfs/dbraw/zinc/73/17/98/1098731798.db2.gz OKWSQSTWLBHHAH-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Brc1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234992178 1098736254 /nfs/dbraw/zinc/73/62/54/1098736254.db2.gz JKWMDTWPZGOUFE-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP Clc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c[nH]c2c1 ZINC001234993054 1098737797 /nfs/dbraw/zinc/73/77/97/1098737797.db2.gz ONPJQGVWLBIQKW-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Fc1ccccc1-c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c[nH]1 ZINC001235000059 1098743539 /nfs/dbraw/zinc/74/35/39/1098743539.db2.gz NYSBETROQZORQT-LJQANCHMSA-N 2 1 313.420 3.396 20 0 DGADMP Fc1ccccc1-c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c[nH]1 ZINC001235000059 1098743550 /nfs/dbraw/zinc/74/35/50/1098743550.db2.gz NYSBETROQZORQT-LJQANCHMSA-N 2 1 313.420 3.396 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234999700 1098743913 /nfs/dbraw/zinc/74/39/13/1098743913.db2.gz NUQAPCBDIICKGC-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234999700 1098743918 /nfs/dbraw/zinc/74/39/18/1098743918.db2.gz NUQAPCBDIICKGC-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235003096 1098745554 /nfs/dbraw/zinc/74/55/54/1098745554.db2.gz ZKQQNTUBOWKTQJ-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235003096 1098745561 /nfs/dbraw/zinc/74/55/61/1098745561.db2.gz ZKQQNTUBOWKTQJ-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235003101 1098745569 /nfs/dbraw/zinc/74/55/69/1098745569.db2.gz ZKQQNTUBOWKTQJ-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235003101 1098745575 /nfs/dbraw/zinc/74/55/75/1098745575.db2.gz ZKQQNTUBOWKTQJ-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235001054 1098745759 /nfs/dbraw/zinc/74/57/59/1098745759.db2.gz RPMOULGWKYJZFC-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235001054 1098745765 /nfs/dbraw/zinc/74/57/65/1098745765.db2.gz RPMOULGWKYJZFC-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP Cc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001235006372 1098747739 /nfs/dbraw/zinc/74/77/39/1098747739.db2.gz IAOLUVVWIGOQHY-OAQYLSRUSA-N 2 1 324.468 3.350 20 0 DGADMP CC(C)c1ccc(CC[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009329 1098750746 /nfs/dbraw/zinc/75/07/46/1098750746.db2.gz ZCUAGSVMQDXAFL-HXUWFJFHSA-N 2 1 316.489 3.055 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009329 1098750758 /nfs/dbraw/zinc/75/07/58/1098750758.db2.gz ZCUAGSVMQDXAFL-HXUWFJFHSA-N 2 1 316.489 3.055 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033535 1098762550 /nfs/dbraw/zinc/76/25/50/1098762550.db2.gz PVMLBENEPJHTOC-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1C ZINC001235037204 1098766731 /nfs/dbraw/zinc/76/67/31/1098766731.db2.gz CUQXLICGFTWIDL-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041243 1098769874 /nfs/dbraw/zinc/76/98/74/1098769874.db2.gz ORJQBIDACIJVEL-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP Fc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235091786 1098792468 /nfs/dbraw/zinc/79/24/68/1098792468.db2.gz BZTSDQCDIGBTRG-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235091786 1098792482 /nfs/dbraw/zinc/79/24/82/1098792482.db2.gz BZTSDQCDIGBTRG-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001235093999 1098795004 /nfs/dbraw/zinc/79/50/04/1098795004.db2.gz VNLBJHGYPXNZNH-UHFFFAOYSA-N 2 1 312.379 3.323 20 0 DGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1F ZINC001235092271 1098796544 /nfs/dbraw/zinc/79/65/44/1098796544.db2.gz KHOVUIDRHMWBNC-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Brc1ccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110771 1098809671 /nfs/dbraw/zinc/80/96/71/1098809671.db2.gz MEWFEHGYQBUFTQ-MRXNPFEDSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1ccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110771 1098809689 /nfs/dbraw/zinc/80/96/89/1098809689.db2.gz MEWFEHGYQBUFTQ-MRXNPFEDSA-N 2 1 323.278 3.210 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126169 1098827192 /nfs/dbraw/zinc/82/71/92/1098827192.db2.gz SIEVCZWDZHOTPT-IBGZPJMESA-N 2 1 324.509 3.498 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126169 1098827206 /nfs/dbraw/zinc/82/72/06/1098827206.db2.gz SIEVCZWDZHOTPT-IBGZPJMESA-N 2 1 324.509 3.498 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152368 1098837014 /nfs/dbraw/zinc/83/70/14/1098837014.db2.gz MIRMEJUTSTWXJT-SFHVURJKSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235151164 1098838046 /nfs/dbraw/zinc/83/80/46/1098838046.db2.gz CMDGCIGKCNYXHH-SFHVURJKSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235154387 1098838925 /nfs/dbraw/zinc/83/89/25/1098838925.db2.gz LJEOSXAVZQOATL-GOSISDBHSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235153248 1098839148 /nfs/dbraw/zinc/83/91/48/1098839148.db2.gz IWKGTSNRDPHGJT-SFHVURJKSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235155511 1098842038 /nfs/dbraw/zinc/84/20/38/1098842038.db2.gz DHRUNHVXYSIZNK-GOSISDBHSA-N 2 1 324.415 3.328 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156933 1098842168 /nfs/dbraw/zinc/84/21/68/1098842168.db2.gz NZYHHZACEPFMJW-GOSISDBHSA-N 2 1 320.452 3.497 20 0 DGADMP COc1cccc(CCC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235156041 1098842730 /nfs/dbraw/zinc/84/27/30/1098842730.db2.gz ZOWQLZSMOUBCDF-HXUWFJFHSA-N 2 1 316.489 3.482 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)NCCC2 ZINC001235154609 1098842813 /nfs/dbraw/zinc/84/28/13/1098842813.db2.gz IQIGOIDDDMNMTF-HXUWFJFHSA-N 2 1 313.489 3.399 20 0 DGADMP COc1ncc(Cl)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155262 1098842843 /nfs/dbraw/zinc/84/28/43/1098842843.db2.gz NPXUCHDETVGHMQ-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1C ZINC001235156313 1098842935 /nfs/dbraw/zinc/84/29/35/1098842935.db2.gz PJPMQIOGSGUVTH-SFHVURJKSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235155280 1098843021 /nfs/dbraw/zinc/84/30/21/1098843021.db2.gz NWNHONZHRHWHGH-IBGZPJMESA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2[nH]nc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235155280 1098843027 /nfs/dbraw/zinc/84/30/27/1098843027.db2.gz NWNHONZHRHWHGH-IBGZPJMESA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2[nH]nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235155280 1098843036 /nfs/dbraw/zinc/84/30/36/1098843036.db2.gz NWNHONZHRHWHGH-IBGZPJMESA-N 2 1 312.461 3.225 20 0 DGADMP Cc1cccc2c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]nc21 ZINC001235158001 1098843622 /nfs/dbraw/zinc/84/36/22/1098843622.db2.gz SYLKYDKBCVFITL-GOSISDBHSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158046 1098845265 /nfs/dbraw/zinc/84/52/65/1098845265.db2.gz UBVSPKVTCNNNPD-LJQANCHMSA-N 2 1 302.462 3.363 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160793 1098847559 /nfs/dbraw/zinc/84/75/59/1098847559.db2.gz ZGPASBNPWRUYDF-LJQANCHMSA-N 2 1 324.472 3.431 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCCC[NH2+]C(C)C ZINC001178527062 1098856889 /nfs/dbraw/zinc/85/68/89/1098856889.db2.gz IYGLJICVZWVMOK-INIZCTEOSA-N 2 1 322.497 3.071 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1C ZINC001235190409 1098867469 /nfs/dbraw/zinc/86/74/69/1098867469.db2.gz HHOQVRSKROIKKX-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235209038 1098879508 /nfs/dbraw/zinc/87/95/08/1098879508.db2.gz HUVOCANLWWEDQD-VQFNDLOPSA-N 2 1 313.832 3.099 20 0 DGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235209038 1098879499 /nfs/dbraw/zinc/87/94/99/1098879499.db2.gz HUVOCANLWWEDQD-VQFNDLOPSA-N 2 1 313.832 3.099 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235241038 1098913322 /nfs/dbraw/zinc/91/33/22/1098913322.db2.gz QCQYARQKGCUALR-GDBMZVCRSA-N 2 1 312.379 3.451 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235241038 1098913331 /nfs/dbraw/zinc/91/33/31/1098913331.db2.gz QCQYARQKGCUALR-GDBMZVCRSA-N 2 1 312.379 3.451 20 0 DGADMP COc1ccc(F)c(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235242072 1098916266 /nfs/dbraw/zinc/91/62/66/1098916266.db2.gz QQJXJCIBJBETQX-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP c1sc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)nc1C1CC1 ZINC001235242395 1098916339 /nfs/dbraw/zinc/91/63/39/1098916339.db2.gz XDMSWKQCZJRAGP-OAHLLOKOSA-N 2 1 305.491 3.375 20 0 DGADMP COc1c(F)ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235243296 1098916633 /nfs/dbraw/zinc/91/66/33/1098916633.db2.gz WSXHAALUHMOIAO-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(C)C ZINC001235260660 1098932782 /nfs/dbraw/zinc/93/27/82/1098932782.db2.gz GYFDSLIKYZZVHT-ROUUACIJSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(C)C ZINC001235260660 1098932796 /nfs/dbraw/zinc/93/27/96/1098932796.db2.gz GYFDSLIKYZZVHT-ROUUACIJSA-N 2 1 302.462 3.274 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc1-2 ZINC001235265688 1098937273 /nfs/dbraw/zinc/93/72/73/1098937273.db2.gz DBDNQJYICOWIMM-UTKZUKDTSA-N 2 1 304.437 3.442 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C[C@@H]12 ZINC001235282518 1098942530 /nfs/dbraw/zinc/94/25/30/1098942530.db2.gz AKFZUFYTONEHJY-YWVIFJGQSA-N 2 1 322.330 3.354 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C[C@@H]12 ZINC001235282518 1098942533 /nfs/dbraw/zinc/94/25/33/1098942533.db2.gz AKFZUFYTONEHJY-YWVIFJGQSA-N 2 1 322.330 3.354 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340789 1098964724 /nfs/dbraw/zinc/96/47/24/1098964724.db2.gz MGCJJXMQVDTQOZ-CYBMUJFWSA-N 2 1 323.278 3.107 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)c2)cc1 ZINC001235340452 1098964851 /nfs/dbraw/zinc/96/48/51/1098964851.db2.gz JINGGRPXHRTXCJ-LJQANCHMSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235342532 1098967028 /nfs/dbraw/zinc/96/70/28/1098967028.db2.gz XCQNCZVARIVZQI-IBGZPJMESA-N 2 1 322.452 3.307 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235362654 1098979450 /nfs/dbraw/zinc/97/94/50/1098979450.db2.gz HEVMZPFORKMBBI-TZIWHRDSSA-N 2 1 322.452 3.145 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235362654 1098979453 /nfs/dbraw/zinc/97/94/53/1098979453.db2.gz HEVMZPFORKMBBI-TZIWHRDSSA-N 2 1 322.452 3.145 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369303 1098983214 /nfs/dbraw/zinc/98/32/14/1098983214.db2.gz YGWHWYHTRHPJMX-AZUAARDMSA-N 2 1 316.489 3.055 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401641 1098996587 /nfs/dbraw/zinc/99/65/87/1098996587.db2.gz HBRAWVCOSREUQF-ZWKOTPCHSA-N 2 1 319.399 3.139 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401641 1098996592 /nfs/dbraw/zinc/99/65/92/1098996592.db2.gz HBRAWVCOSREUQF-ZWKOTPCHSA-N 2 1 319.399 3.139 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400872 1098996606 /nfs/dbraw/zinc/99/66/06/1098996606.db2.gz LXMKMQIAZVHZLW-OALUTQOASA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400872 1098996610 /nfs/dbraw/zinc/99/66/10/1098996610.db2.gz LXMKMQIAZVHZLW-OALUTQOASA-N 2 1 320.452 3.306 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401493 1098997640 /nfs/dbraw/zinc/99/76/40/1098997640.db2.gz HBRAWVCOSREUQF-ROUUACIJSA-N 2 1 319.399 3.139 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401493 1098997647 /nfs/dbraw/zinc/99/76/47/1098997647.db2.gz HBRAWVCOSREUQF-ROUUACIJSA-N 2 1 319.399 3.139 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1Cl ZINC001235402253 1098999031 /nfs/dbraw/zinc/99/90/31/1098999031.db2.gz WKOOZQXQPCDNIH-WBVHZDCISA-N 2 1 310.844 3.480 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1Cl ZINC001235402253 1098999035 /nfs/dbraw/zinc/99/90/35/1098999035.db2.gz WKOOZQXQPCDNIH-WBVHZDCISA-N 2 1 310.844 3.480 20 0 DGADMP c1cn(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC001235421742 1099013561 /nfs/dbraw/zinc/01/35/61/1099013561.db2.gz BZLKQZXYOUJXGU-RBUKOAKNSA-N 2 1 324.472 3.084 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235421899 1099014243 /nfs/dbraw/zinc/01/42/43/1099014243.db2.gz CMTKZRNHZUNQMU-CABCVRRESA-N 2 1 324.415 3.185 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)OCc1ccccc1 ZINC001235424016 1099016119 /nfs/dbraw/zinc/01/61/19/1099016119.db2.gz IOJQCHYEEFQDQL-YSIASYRMSA-N 2 1 316.489 3.303 20 0 DGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424073 1099016645 /nfs/dbraw/zinc/01/66/45/1099016645.db2.gz JLWQWRGACHNOAY-GJZGRUSLSA-N 2 1 308.416 3.219 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235425586 1099019172 /nfs/dbraw/zinc/01/91/72/1099019172.db2.gz MACGIMPADRDBEY-HUUCEWRRSA-N 2 1 308.416 3.485 20 0 DGADMP Fc1cc(F)c(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425640 1099019488 /nfs/dbraw/zinc/01/94/88/1099019488.db2.gz MEHNCFVGNIEHSN-QWHCGFSZSA-N 2 1 312.379 3.316 20 0 DGADMP COc1c(F)ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235427588 1099019879 /nfs/dbraw/zinc/01/98/79/1099019879.db2.gz MLRSXYXZDCUYOH-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC001235426219 1099020616 /nfs/dbraw/zinc/02/06/16/1099020616.db2.gz JLGYWLKHHCQBQA-GJZGRUSLSA-N 2 1 307.507 3.026 20 0 DGADMP c1cnn(-c2ccccc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429081 1099021535 /nfs/dbraw/zinc/02/15/35/1099021535.db2.gz WTRDXVYUFOOLSS-QZTJIDSGSA-N 2 1 324.472 3.084 20 0 DGADMP c1cnn(-c2ccccc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429082 1099022033 /nfs/dbraw/zinc/02/20/33/1099022033.db2.gz WTRDXVYUFOOLSS-ROUUACIJSA-N 2 1 324.472 3.084 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(C)c1O ZINC001235429738 1099024178 /nfs/dbraw/zinc/02/41/78/1099024178.db2.gz REUJRZIADPKJGZ-QZTJIDSGSA-N 2 1 302.462 3.221 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235431769 1099027482 /nfs/dbraw/zinc/02/74/82/1099027482.db2.gz CBJPKMWKUMJJKC-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1F)CC1CC[NH2+]CC1 ZINC001235432159 1099029577 /nfs/dbraw/zinc/02/95/77/1099029577.db2.gz KHFFQLRKRIIBRD-UHFFFAOYSA-N 2 1 322.321 3.415 20 0 DGADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1OCC(C)C ZINC001179266313 1099050489 /nfs/dbraw/zinc/05/04/89/1099050489.db2.gz LVDWSODXZJBACG-HNNXBMFYSA-N 2 1 308.466 3.160 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccoc2)CC3)co1 ZINC001204242893 1099070238 /nfs/dbraw/zinc/07/02/38/1099070238.db2.gz OPTMERUTVPUMIY-UHFFFAOYSA-N 2 1 300.402 3.361 20 0 DGADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361569 1099083474 /nfs/dbraw/zinc/08/34/74/1099083474.db2.gz JVZKWILXPQXZHJ-GOSISDBHSA-N 2 1 323.525 3.070 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C[C@@H](C)O)C[C@H]2CC1 ZINC001277959473 1099109335 /nfs/dbraw/zinc/10/93/35/1099109335.db2.gz SOFVRUFABFRNOT-MKXGPGLRSA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC001277959473 1099109343 /nfs/dbraw/zinc/10/93/43/1099109343.db2.gz SOFVRUFABFRNOT-MKXGPGLRSA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC001277959473 1099109346 /nfs/dbraw/zinc/10/93/46/1099109346.db2.gz SOFVRUFABFRNOT-MKXGPGLRSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001235667383 1099112928 /nfs/dbraw/zinc/11/29/28/1099112928.db2.gz XPHWYNVQRZOZKR-PVAVHDDUSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001235667383 1099112931 /nfs/dbraw/zinc/11/29/31/1099112931.db2.gz XPHWYNVQRZOZKR-PVAVHDDUSA-N 2 1 308.416 3.357 20 0 DGADMP C[N@@H+](CCCc1ccccc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235669724 1099114489 /nfs/dbraw/zinc/11/44/89/1099114489.db2.gz IXIKTBXZMUTRJF-UHFFFAOYSA-N 2 1 323.484 3.161 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235676092 1099120317 /nfs/dbraw/zinc/12/03/17/1099120317.db2.gz VNUKKJLHVNYEPN-HZPDHXFCSA-N 2 1 322.880 3.491 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235676092 1099120319 /nfs/dbraw/zinc/12/03/19/1099120319.db2.gz VNUKKJLHVNYEPN-HZPDHXFCSA-N 2 1 322.880 3.491 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2c(Cl)cc(OC)cc2Cl)CC1 ZINC001235678663 1099121999 /nfs/dbraw/zinc/12/19/99/1099121999.db2.gz OGNVDCQORYPSLX-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c1)NCC2 ZINC001235679018 1099122824 /nfs/dbraw/zinc/12/28/24/1099122824.db2.gz NSJLUMINFZYACP-IBGZPJMESA-N 2 1 313.489 3.495 20 0 DGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235680556 1099124862 /nfs/dbraw/zinc/12/48/62/1099124862.db2.gz TXZZZIQDFMAOEW-LJQANCHMSA-N 2 1 313.420 3.458 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH2+]C1CCCCC1)C1CCCC1 ZINC001235692055 1099130953 /nfs/dbraw/zinc/13/09/53/1099130953.db2.gz ZSEKJUNQWWNOIO-UHFFFAOYSA-N 2 1 310.482 3.107 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(CC(C)(C)CO)C2)C1 ZINC001277963794 1099138214 /nfs/dbraw/zinc/13/82/14/1099138214.db2.gz UOYAATHZRQXZQZ-KRWDZBQOSA-N 2 1 310.526 3.229 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710541 1099139820 /nfs/dbraw/zinc/13/98/20/1099139820.db2.gz AJVFSAKOWOHVMG-UHFFFAOYSA-N 2 1 314.351 3.079 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710541 1099139823 /nfs/dbraw/zinc/13/98/23/1099139823.db2.gz AJVFSAKOWOHVMG-UHFFFAOYSA-N 2 1 314.351 3.079 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1F ZINC001235716754 1099143622 /nfs/dbraw/zinc/14/36/22/1099143622.db2.gz JUVNXRLNBRQCEO-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP COCCC[N@H+](Cc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001235808989 1099189578 /nfs/dbraw/zinc/18/95/78/1099189578.db2.gz WMRIMFJWPDTOSE-IBGZPJMESA-N 2 1 312.457 3.430 20 0 DGADMP COCCC[N@@H+](Cc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001235808989 1099189586 /nfs/dbraw/zinc/18/95/86/1099189586.db2.gz WMRIMFJWPDTOSE-IBGZPJMESA-N 2 1 312.457 3.430 20 0 DGADMP CCc1[nH]c(CN2CC[NH2+]C[C@@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC001235811985 1099191167 /nfs/dbraw/zinc/19/11/67/1099191167.db2.gz PKQLVYMJGFFAGW-MRXNPFEDSA-N 2 1 318.852 3.080 20 0 DGADMP C[N@@H+](Cc1ccsc1)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235840314 1099202859 /nfs/dbraw/zinc/20/28/59/1099202859.db2.gz JJHMSGSOGTZCLX-UHFFFAOYSA-N 2 1 311.454 3.438 20 0 DGADMP Cc1ccc(CC[N@H+](C)Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235841038 1099204063 /nfs/dbraw/zinc/20/40/63/1099204063.db2.gz UUBVSOOCPYUKKR-UHFFFAOYSA-N 2 1 323.484 3.079 20 0 DGADMP C[N@@H+](Cc1cccn1-c1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842574 1099206130 /nfs/dbraw/zinc/20/61/30/1099206130.db2.gz OXMKUGRWEDLIQT-AWEZNQCLSA-N 2 1 303.837 3.172 20 0 DGADMP C[N@H+](Cc1cccn1-c1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842574 1099206135 /nfs/dbraw/zinc/20/61/35/1099206135.db2.gz OXMKUGRWEDLIQT-AWEZNQCLSA-N 2 1 303.837 3.172 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001235843139 1099206204 /nfs/dbraw/zinc/20/62/04/1099206204.db2.gz WHUSECWYSOSKFQ-NSHDSACASA-N 2 1 322.758 3.280 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001235843139 1099206214 /nfs/dbraw/zinc/20/62/14/1099206214.db2.gz WHUSECWYSOSKFQ-NSHDSACASA-N 2 1 322.758 3.280 20 0 DGADMP CC1(C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC001235865370 1099225654 /nfs/dbraw/zinc/22/56/54/1099225654.db2.gz OOVYUVVMHVHVRM-INIZCTEOSA-N 2 1 308.466 3.305 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235867267 1099227424 /nfs/dbraw/zinc/22/74/24/1099227424.db2.gz NFGBDDXJCHMKTN-QUCCMNQESA-N 2 1 313.489 3.251 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890787 1099236452 /nfs/dbraw/zinc/23/64/52/1099236452.db2.gz CATYETWXXDKPCH-TZMCWYRMSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890787 1099236459 /nfs/dbraw/zinc/23/64/59/1099236459.db2.gz CATYETWXXDKPCH-TZMCWYRMSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892029 1099236481 /nfs/dbraw/zinc/23/64/81/1099236481.db2.gz KKJMOUJITKJSKX-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892029 1099236491 /nfs/dbraw/zinc/23/64/91/1099236491.db2.gz KKJMOUJITKJSKX-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001235925911 1099263833 /nfs/dbraw/zinc/26/38/33/1099263833.db2.gz RQIFMKXBHRLXAF-LBPRGKRZSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001235925911 1099263837 /nfs/dbraw/zinc/26/38/37/1099263837.db2.gz RQIFMKXBHRLXAF-LBPRGKRZSA-N 2 1 306.303 3.038 20 0 DGADMP Clc1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235928636 1099264393 /nfs/dbraw/zinc/26/43/93/1099264393.db2.gz BMSVEHNEKUOPAY-UONOGXRCSA-N 2 1 313.272 3.467 20 0 DGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001235933232 1099268586 /nfs/dbraw/zinc/26/85/86/1099268586.db2.gz FIEXYSFUYNLUQI-SFHVURJKSA-N 2 1 310.416 3.461 20 0 DGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)c1 ZINC001235933614 1099268804 /nfs/dbraw/zinc/26/88/04/1099268804.db2.gz HPWGFZAFEOYGAR-IBGZPJMESA-N 2 1 310.416 3.461 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935441 1099269476 /nfs/dbraw/zinc/26/94/76/1099269476.db2.gz DPIYMJOAZDCMDX-JQWIXIFHSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935441 1099269485 /nfs/dbraw/zinc/26/94/85/1099269485.db2.gz DPIYMJOAZDCMDX-JQWIXIFHSA-N 2 1 318.770 3.400 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)ccc1-2 ZINC001235937940 1099272851 /nfs/dbraw/zinc/27/28/51/1099272851.db2.gz JWFFAHQNVTXXSJ-IEBWSBKVSA-N 2 1 304.437 3.299 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1C(C)C ZINC001235938460 1099273196 /nfs/dbraw/zinc/27/31/96/1099273196.db2.gz KKZKASFPPAGGPI-WBVHZDCISA-N 2 1 302.462 3.168 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CO1 ZINC001235948339 1099281550 /nfs/dbraw/zinc/28/15/50/1099281550.db2.gz PNIHMKRQMLDCJB-HOCLYGCPSA-N 2 1 308.853 3.244 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CO1 ZINC001235948339 1099281557 /nfs/dbraw/zinc/28/15/57/1099281557.db2.gz PNIHMKRQMLDCJB-HOCLYGCPSA-N 2 1 308.853 3.244 20 0 DGADMP C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235950687 1099283432 /nfs/dbraw/zinc/28/34/32/1099283432.db2.gz LUBZDYONHBZNNM-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235950687 1099283436 /nfs/dbraw/zinc/28/34/36/1099283436.db2.gz LUBZDYONHBZNNM-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP C(c1nc2c(s1)C[NH2+]CC2)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235950047 1099284278 /nfs/dbraw/zinc/28/42/78/1099284278.db2.gz YWXLJVMDLZSBHS-CQSZACIVSA-N 2 1 305.491 3.191 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235949335 1099284337 /nfs/dbraw/zinc/28/43/37/1099284337.db2.gz FCKWYCNEHXUEHB-KBMXLJTQSA-N 2 1 300.437 3.379 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235949335 1099284343 /nfs/dbraw/zinc/28/43/43/1099284343.db2.gz FCKWYCNEHXUEHB-KBMXLJTQSA-N 2 1 300.437 3.379 20 0 DGADMP C[N@@H+](CCc1ccccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235951354 1099285892 /nfs/dbraw/zinc/28/58/92/1099285892.db2.gz QXUPLLKZNVIJAE-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956257 1099286627 /nfs/dbraw/zinc/28/66/27/1099286627.db2.gz BJPVINXBNLUEGH-GFCCVEGCSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956257 1099286631 /nfs/dbraw/zinc/28/66/31/1099286631.db2.gz BJPVINXBNLUEGH-GFCCVEGCSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@@H]1CCC[NH2+]C1 ZINC001235956449 1099287747 /nfs/dbraw/zinc/28/77/47/1099287747.db2.gz DDOAEIITQMZPCE-GFCCVEGCSA-N 2 1 319.836 3.025 20 0 DGADMP C[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@@H]1CCC[NH2+]C1 ZINC001235956449 1099287756 /nfs/dbraw/zinc/28/77/56/1099287756.db2.gz DDOAEIITQMZPCE-GFCCVEGCSA-N 2 1 319.836 3.025 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccc(O)cc2)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235957618 1099288602 /nfs/dbraw/zinc/28/86/02/1099288602.db2.gz QQYHYMIULBCOIO-KRWDZBQOSA-N 2 1 310.441 3.491 20 0 DGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC001235956782 1099289648 /nfs/dbraw/zinc/28/96/48/1099289648.db2.gz HZSHZAUZZXWCDK-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC001235956782 1099289651 /nfs/dbraw/zinc/28/96/51/1099289651.db2.gz HZSHZAUZZXWCDK-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235959530 1099291448 /nfs/dbraw/zinc/29/14/48/1099291448.db2.gz XTAKMFRCLCLKQX-NRFANRHFSA-N 2 1 322.452 3.471 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001235960007 1099292399 /nfs/dbraw/zinc/29/23/99/1099292399.db2.gz RNTHVISJVUHOOH-CEQLMSFQSA-N 2 1 306.453 3.488 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235959121 1099292664 /nfs/dbraw/zinc/29/26/64/1099292664.db2.gz UDSROBQJOGOQHO-OALUTQOASA-N 2 1 302.462 3.200 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)NCC2 ZINC001235972525 1099300469 /nfs/dbraw/zinc/30/04/69/1099300469.db2.gz IMJVKVDJLWHZKK-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)NCC2 ZINC001235972525 1099300482 /nfs/dbraw/zinc/30/04/82/1099300482.db2.gz IMJVKVDJLWHZKK-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)NCC2 ZINC001235972525 1099300492 /nfs/dbraw/zinc/30/04/92/1099300492.db2.gz IMJVKVDJLWHZKK-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001235986809 1099309972 /nfs/dbraw/zinc/30/99/72/1099309972.db2.gz RILWIYMQUHFXRZ-MCIONIFRSA-N 2 1 304.400 3.081 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001236008358 1099330112 /nfs/dbraw/zinc/33/01/12/1099330112.db2.gz JLSQYXDJGFKVPV-SFHVURJKSA-N 2 1 304.453 3.470 20 0 DGADMP CO[C@@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001180208772 1099342203 /nfs/dbraw/zinc/34/22/03/1099342203.db2.gz QLHIZZCZFOLPDJ-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C1 ZINC001236067378 1099365162 /nfs/dbraw/zinc/36/51/62/1099365162.db2.gz MUCOOXUAMHCBSL-GOSISDBHSA-N 2 1 323.484 3.461 20 0 DGADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236080021 1099374290 /nfs/dbraw/zinc/37/42/90/1099374290.db2.gz PNYOGGFYFRXEFR-ZRHASKPBSA-N 2 1 307.526 3.258 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236093710 1099383462 /nfs/dbraw/zinc/38/34/62/1099383462.db2.gz XYJKMVGSCQMHPO-RBUKOAKNSA-N 2 1 316.489 3.482 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236100897 1099388913 /nfs/dbraw/zinc/38/89/13/1099388913.db2.gz KEHIHGQKFKIFIL-CJNGLKHVSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236100897 1099388925 /nfs/dbraw/zinc/38/89/25/1099388925.db2.gz KEHIHGQKFKIFIL-CJNGLKHVSA-N 2 1 312.404 3.008 20 0 DGADMP CCCC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3C)cc2)CC[NH2+]1 ZINC001236137439 1099423672 /nfs/dbraw/zinc/42/36/72/1099423672.db2.gz BYWJOKCIBYAABY-GOSISDBHSA-N 2 1 312.461 3.145 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1cc(Br)cc(Cl)c1F ZINC001236141982 1099428221 /nfs/dbraw/zinc/42/82/21/1099428221.db2.gz QBOGZVRMJZJSNI-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236198258 1099458065 /nfs/dbraw/zinc/45/80/65/1099458065.db2.gz ALDJTUXJEVFCCJ-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)CCCCC[NH3+])CC1 ZINC001236199041 1099458703 /nfs/dbraw/zinc/45/87/03/1099458703.db2.gz CQJOWNKDLCZQDV-QAQDUYKDSA-N 2 1 312.498 3.197 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)c(OCC)c1 ZINC001236212636 1099468490 /nfs/dbraw/zinc/46/84/90/1099468490.db2.gz JYOLJVOSXWCHCZ-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cnc(OC(C)C)c(C)c2)CC1 ZINC001236214442 1099470522 /nfs/dbraw/zinc/47/05/22/1099470522.db2.gz FJERGRHJWSYMOK-UHFFFAOYSA-N 2 1 305.466 3.140 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(Cl)ccc(OC)c2F)CC1 ZINC001236215575 1099472222 /nfs/dbraw/zinc/47/22/22/1099472222.db2.gz PTTZJEOFHWIJTD-UHFFFAOYSA-N 2 1 314.832 3.450 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236219298 1099476313 /nfs/dbraw/zinc/47/63/13/1099476313.db2.gz VBRZXJCHLXDHBH-MSOLQXFVSA-N 2 1 320.477 3.460 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236219298 1099476317 /nfs/dbraw/zinc/47/63/17/1099476317.db2.gz VBRZXJCHLXDHBH-MSOLQXFVSA-N 2 1 320.477 3.460 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236219784 1099477555 /nfs/dbraw/zinc/47/75/55/1099477555.db2.gz XQYCBSBKHTUGJK-FUHWJXTLSA-N 2 1 301.434 3.268 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236219784 1099477564 /nfs/dbraw/zinc/47/75/64/1099477564.db2.gz XQYCBSBKHTUGJK-FUHWJXTLSA-N 2 1 301.434 3.268 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219577 1099478533 /nfs/dbraw/zinc/47/85/33/1099478533.db2.gz WGCMQQNRXPWREC-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219577 1099478541 /nfs/dbraw/zinc/47/85/41/1099478541.db2.gz WGCMQQNRXPWREC-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224298 1099481940 /nfs/dbraw/zinc/48/19/40/1099481940.db2.gz SONZKWYBGJYTGV-JOCQHMNTSA-N 2 1 320.330 3.426 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C1(C)CC[NH2+]CC1 ZINC001236223303 1099481754 /nfs/dbraw/zinc/48/17/54/1099481754.db2.gz MOZFHZBQALXGJZ-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1(C)CC[NH2+]CC1 ZINC001236226484 1099483172 /nfs/dbraw/zinc/48/31/72/1099483172.db2.gz MIUGKPDXLMKTEJ-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1(C)CC[NH2+]CC1 ZINC001236226484 1099483178 /nfs/dbraw/zinc/48/31/78/1099483178.db2.gz MIUGKPDXLMKTEJ-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236226101 1099483597 /nfs/dbraw/zinc/48/35/97/1099483597.db2.gz IGYOASNQFXOXBB-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236226101 1099483599 /nfs/dbraw/zinc/48/35/99/1099483599.db2.gz IGYOASNQFXOXBB-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1cccc(F)c1F ZINC001236239365 1099493215 /nfs/dbraw/zinc/49/32/15/1099493215.db2.gz DZBZWGQTWXECGU-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1cccc(F)c1F ZINC001236239365 1099493219 /nfs/dbraw/zinc/49/32/19/1099493219.db2.gz DZBZWGQTWXECGU-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236286556 1099519074 /nfs/dbraw/zinc/51/90/74/1099519074.db2.gz MGKWJCZZNCAOEE-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236286556 1099519085 /nfs/dbraw/zinc/51/90/85/1099519085.db2.gz MGKWJCZZNCAOEE-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001236304013 1099524050 /nfs/dbraw/zinc/52/40/50/1099524050.db2.gz GALLHOLYXGUISS-LJQANCHMSA-N 2 1 316.489 3.339 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CC3(F)CC[NH2+]CC3)C2)c1 ZINC001236304646 1099524985 /nfs/dbraw/zinc/52/49/85/1099524985.db2.gz MYGQVXBWBRGQFL-KRWDZBQOSA-N 2 1 320.452 3.041 20 0 DGADMP OCCCCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001236313892 1099528662 /nfs/dbraw/zinc/52/86/62/1099528662.db2.gz DAONNEYZHQNXAB-IBGZPJMESA-N 2 1 318.505 3.431 20 0 DGADMP c1ccc(COCCCCC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314003 1099529047 /nfs/dbraw/zinc/52/90/47/1099529047.db2.gz FBLZGQHCUWRIFB-BGYRXZFFSA-N 2 1 316.489 3.305 20 0 DGADMP CC(C)Oc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1 ZINC001236321241 1099534128 /nfs/dbraw/zinc/53/41/28/1099534128.db2.gz KDNQMFFVKJDWLT-OKILXGFUSA-N 2 1 324.415 3.183 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319633 1099534673 /nfs/dbraw/zinc/53/46/73/1099534673.db2.gz BXPPXOJSUDJISQ-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236336952 1099544249 /nfs/dbraw/zinc/54/42/49/1099544249.db2.gz XQYMBXLATPJWDA-ROUUACIJSA-N 2 1 302.462 3.407 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372705 1099558666 /nfs/dbraw/zinc/55/86/66/1099558666.db2.gz SZSDEQPRJAMKRV-IAGOWNOFSA-N 2 1 324.509 3.210 20 0 DGADMP CN(C)c1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374082 1099559540 /nfs/dbraw/zinc/55/95/40/1099559540.db2.gz OWYXETKHYWLOGM-QGZVFWFLSA-N 2 1 315.505 3.497 20 0 DGADMP COc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374024 1099559646 /nfs/dbraw/zinc/55/96/46/1099559646.db2.gz OCSVACGYRLPLRS-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP Cc1ccc(O)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236377288 1099562497 /nfs/dbraw/zinc/56/24/97/1099562497.db2.gz YMBXWWRICKLKQM-INIZCTEOSA-N 2 1 302.462 3.445 20 0 DGADMP COc1cc(C)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cn1 ZINC001236377156 1099562897 /nfs/dbraw/zinc/56/28/97/1099562897.db2.gz YHIGTUVDSLMKGE-MRXNPFEDSA-N 2 1 317.477 3.143 20 0 DGADMP COc1cc(O)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375611 1099563326 /nfs/dbraw/zinc/56/33/26/1099563326.db2.gz LDJVCQNLXJOXQC-HNNXBMFYSA-N 2 1 318.461 3.145 20 0 DGADMP COc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1N ZINC001236376991 1099565205 /nfs/dbraw/zinc/56/52/05/1099565205.db2.gz XGXAMQKSQGTLKJ-OAHLLOKOSA-N 2 1 317.477 3.022 20 0 DGADMP CC[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236409123 1099581451 /nfs/dbraw/zinc/58/14/51/1099581451.db2.gz RWTVOZBJOYKAGY-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236409123 1099581464 /nfs/dbraw/zinc/58/14/64/1099581464.db2.gz RWTVOZBJOYKAGY-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@H]1CC[NH2+]C1 ZINC001236410699 1099584204 /nfs/dbraw/zinc/58/42/04/1099584204.db2.gz JFSAQLOJWDIMMV-LBPRGKRZSA-N 2 1 319.836 3.025 20 0 DGADMP CC[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@H]1CC[NH2+]C1 ZINC001236410699 1099584213 /nfs/dbraw/zinc/58/42/13/1099584213.db2.gz JFSAQLOJWDIMMV-LBPRGKRZSA-N 2 1 319.836 3.025 20 0 DGADMP CC[N@H+](Cc1cccc(C(F)(F)F)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236410334 1099584863 /nfs/dbraw/zinc/58/48/63/1099584863.db2.gz YUSAJOHWMXNCFP-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410819 1099586350 /nfs/dbraw/zinc/58/63/50/1099586350.db2.gz KXJZMOSQSYRBGT-OAOYMFHYSA-N 2 1 300.490 3.312 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccc(F)cc2F)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413045 1099587262 /nfs/dbraw/zinc/58/72/62/1099587262.db2.gz NFVWOZPYZDJGGP-DZFIZOCASA-N 2 1 314.379 3.281 20 0 DGADMP C[N@@H+](Cc1ccc(-c2ccc(F)cc2F)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413045 1099587274 /nfs/dbraw/zinc/58/72/74/1099587274.db2.gz NFVWOZPYZDJGGP-DZFIZOCASA-N 2 1 314.379 3.281 20 0 DGADMP CCCCCCOc1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236413018 1099588219 /nfs/dbraw/zinc/58/82/19/1099588219.db2.gz MUVCDPSPXNFAMT-BWTSREIZSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236413018 1099588230 /nfs/dbraw/zinc/58/82/30/1099588230.db2.gz MUVCDPSPXNFAMT-BWTSREIZSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433353 1099609272 /nfs/dbraw/zinc/60/92/72/1099609272.db2.gz FUZBPVVVHXPZNF-GOSISDBHSA-N 2 1 303.425 3.338 20 0 DGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433353 1099609273 /nfs/dbraw/zinc/60/92/73/1099609273.db2.gz FUZBPVVVHXPZNF-GOSISDBHSA-N 2 1 303.425 3.338 20 0 DGADMP CCC1(C[N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)COC1 ZINC001236449773 1099618248 /nfs/dbraw/zinc/61/82/48/1099618248.db2.gz APQYZZYIYJELAX-UHFFFAOYSA-N 2 1 322.880 3.321 20 0 DGADMP CCC1(C[N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)COC1 ZINC001236449773 1099618255 /nfs/dbraw/zinc/61/82/55/1099618255.db2.gz APQYZZYIYJELAX-UHFFFAOYSA-N 2 1 322.880 3.321 20 0 DGADMP CSc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cn1 ZINC001236457941 1099619383 /nfs/dbraw/zinc/61/93/83/1099619383.db2.gz RRIRQBLIOLWJLT-UHFFFAOYSA-N 2 1 307.507 3.404 20 0 DGADMP CCOc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cn1 ZINC001236457105 1099619970 /nfs/dbraw/zinc/61/99/70/1099619970.db2.gz ILYKTKQIWKEOKM-UHFFFAOYSA-N 2 1 305.466 3.080 20 0 DGADMP [NH3+]Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001236469726 1099629519 /nfs/dbraw/zinc/62/95/19/1099629519.db2.gz MHJHPAXMMUDMKJ-MOPGFXCFSA-N 2 1 305.425 3.361 20 0 DGADMP COc1cc(C)c(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236478155 1099636555 /nfs/dbraw/zinc/63/65/55/1099636555.db2.gz YTIVZIRYHAEVKX-QGZVFWFLSA-N 2 1 320.477 3.222 20 0 DGADMP COc1cc(C)c(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236478155 1099636560 /nfs/dbraw/zinc/63/65/60/1099636560.db2.gz YTIVZIRYHAEVKX-QGZVFWFLSA-N 2 1 320.477 3.222 20 0 DGADMP COc1ccc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)cc1F ZINC001236518183 1099655829 /nfs/dbraw/zinc/65/58/29/1099655829.db2.gz ZNKFNFKUGHFUJM-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP Cc1cccc(C[N@@H+](Cc2ccc3n2CC[NH2+]C3)C2CC2)c1C ZINC001236535510 1099669382 /nfs/dbraw/zinc/66/93/82/1099669382.db2.gz VHUKHTBTHRWNDQ-UHFFFAOYSA-N 2 1 309.457 3.373 20 0 DGADMP COc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)n1 ZINC001236540908 1099672888 /nfs/dbraw/zinc/67/28/88/1099672888.db2.gz MTVTWSZWSACHQN-IYARVYRRSA-N 2 1 317.477 3.271 20 0 DGADMP CC(C)C[N@@H+](CCOC(=O)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549767 1099675473 /nfs/dbraw/zinc/67/54/73/1099675473.db2.gz BNIQVAWIMWGUIP-IYARVYRRSA-N 2 1 318.461 3.071 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc2c1OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551806 1099676864 /nfs/dbraw/zinc/67/68/64/1099676864.db2.gz LEJHXTCTNFHLTR-QAQDUYKDSA-N 2 1 318.461 3.186 20 0 DGADMP COc1ccc(F)c(F)c1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554245 1099677152 /nfs/dbraw/zinc/67/71/52/1099677152.db2.gz YAUSOTROFCHQGF-HDJSIYSDSA-N 2 1 324.415 3.455 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565257 1099680545 /nfs/dbraw/zinc/68/05/45/1099680545.db2.gz BMBPCHXMQUAWQL-SAABIXHNSA-N 3 1 309.542 3.479 20 0 DGADMP CN(C)CC(C)(C)C[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565257 1099680551 /nfs/dbraw/zinc/68/05/51/1099680551.db2.gz BMBPCHXMQUAWQL-SAABIXHNSA-N 2 1 309.542 3.479 20 0 DGADMP CN(C)CC(C)(C)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565257 1099680558 /nfs/dbraw/zinc/68/05/58/1099680558.db2.gz BMBPCHXMQUAWQL-SAABIXHNSA-N 2 1 309.542 3.479 20 0 DGADMP Fc1cc(F)c(CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236584889 1099690182 /nfs/dbraw/zinc/69/01/82/1099690182.db2.gz ZGIRVZNHKWUJIX-LBPRGKRZSA-N 2 1 312.379 3.110 20 0 DGADMP COc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1Cl ZINC001236597853 1099693896 /nfs/dbraw/zinc/69/38/96/1099693896.db2.gz GIFYKGDUSSYTFH-AWEZNQCLSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1Cl ZINC001236597853 1099693901 /nfs/dbraw/zinc/69/39/01/1099693901.db2.gz GIFYKGDUSSYTFH-AWEZNQCLSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC001236600747 1099697680 /nfs/dbraw/zinc/69/76/80/1099697680.db2.gz IVHCXPZROCAMEE-OAHLLOKOSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC001236600747 1099697681 /nfs/dbraw/zinc/69/76/81/1099697681.db2.gz IVHCXPZROCAMEE-OAHLLOKOSA-N 2 1 306.425 3.188 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)cc21 ZINC001236604191 1099699202 /nfs/dbraw/zinc/69/92/02/1099699202.db2.gz CVTXNLUZGDXAIE-KRWDZBQOSA-N 2 1 313.489 3.033 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236605427 1099701818 /nfs/dbraw/zinc/70/18/18/1099701818.db2.gz NFOFVRAZHYMTKO-AWEZNQCLSA-N 2 1 306.425 3.107 20 0 DGADMP COc1cc(F)c(C)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236605427 1099701826 /nfs/dbraw/zinc/70/18/26/1099701826.db2.gz NFOFVRAZHYMTKO-AWEZNQCLSA-N 2 1 306.425 3.107 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236616051 1099707018 /nfs/dbraw/zinc/70/70/18/1099707018.db2.gz LNGCKVXGWCFVOA-HXUWFJFHSA-N 2 1 310.441 3.436 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CCc2nccn2CC1 ZINC001236679675 1099739036 /nfs/dbraw/zinc/73/90/36/1099739036.db2.gz LSDZQSOKZUIIDL-UHFFFAOYSA-N 2 1 307.397 3.103 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ncccc2O)CC2CCCCC2)CC1 ZINC001236756650 1099772364 /nfs/dbraw/zinc/77/23/64/1099772364.db2.gz ZEWXQFCYYXNTOS-QAQDUYKDSA-N 2 1 317.477 3.439 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ncccc2O)CC2CCCCC2)CC1 ZINC001236756650 1099772372 /nfs/dbraw/zinc/77/23/72/1099772372.db2.gz ZEWXQFCYYXNTOS-QAQDUYKDSA-N 2 1 317.477 3.439 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@H]12 ZINC001236818516 1099807106 /nfs/dbraw/zinc/80/71/06/1099807106.db2.gz JQZVSVDTDMVFKM-OFQRWUPVSA-N 2 1 312.379 3.307 20 0 DGADMP Cc1cc(Br)sc1CN(C)C1CC[NH+](C)CC1 ZINC001236828345 1099808755 /nfs/dbraw/zinc/80/87/55/1099808755.db2.gz GJTSBALHXJAQII-UHFFFAOYSA-N 2 1 317.296 3.345 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@H]12 ZINC001236828386 1099812338 /nfs/dbraw/zinc/81/23/38/1099812338.db2.gz IJZXBQUMHQBRBT-UIAACRFSSA-N 2 1 324.424 3.354 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(COc4ccccc4)cc3)C[C@H]12 ZINC001236831825 1099817256 /nfs/dbraw/zinc/81/72/56/1099817256.db2.gz RPMCXFLOKLDWRZ-HLAWJBBLSA-N 2 1 322.452 3.435 20 0 DGADMP CCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+]C1 ZINC001236834199 1099820224 /nfs/dbraw/zinc/82/02/24/1099820224.db2.gz FFCJUGIVSZITQY-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843038 1099829822 /nfs/dbraw/zinc/82/98/22/1099829822.db2.gz KPUVCMJZDAKQIN-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(F)F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843038 1099829832 /nfs/dbraw/zinc/82/98/32/1099829832.db2.gz KPUVCMJZDAKQIN-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)c2)CC1 ZINC001236887268 1099849918 /nfs/dbraw/zinc/84/99/18/1099849918.db2.gz ICQQLHXGFUVDJV-OALUTQOASA-N 2 1 313.489 3.060 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CCC[C@@H]1C ZINC001236887812 1099854151 /nfs/dbraw/zinc/85/41/51/1099854151.db2.gz QJKUGNAFBAZXND-ROUUACIJSA-N 2 1 315.505 3.306 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236896683 1099858028 /nfs/dbraw/zinc/85/80/28/1099858028.db2.gz WZJDLENVCHDTKK-UAPYVXQJSA-N 2 1 315.505 3.449 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001236918102 1099877919 /nfs/dbraw/zinc/87/79/19/1099877919.db2.gz XJZKJPFABUAOAK-PBHICJAKSA-N 2 1 317.820 3.137 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3OC(C)(C)C)C[C@@H]2C1 ZINC001237023037 1099932352 /nfs/dbraw/zinc/93/23/52/1099932352.db2.gz AWPHAJVANMFCHM-WBVHZDCISA-N 2 1 302.462 3.247 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(OCC)c1 ZINC001237056724 1099947531 /nfs/dbraw/zinc/94/75/31/1099947531.db2.gz JGERVERENSXTLR-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(OCC)c1 ZINC001237056724 1099947538 /nfs/dbraw/zinc/94/75/38/1099947538.db2.gz JGERVERENSXTLR-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](CCc2ccccc2Br)C1 ZINC001237058723 1099949651 /nfs/dbraw/zinc/94/96/51/1099949651.db2.gz ROTPPOFVCIVQJH-HNNXBMFYSA-N 2 1 311.267 3.052 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccccc2Br)C1 ZINC001237058723 1099949658 /nfs/dbraw/zinc/94/96/58/1099949658.db2.gz ROTPPOFVCIVQJH-HNNXBMFYSA-N 2 1 311.267 3.052 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237059869 1099950140 /nfs/dbraw/zinc/95/01/40/1099950140.db2.gz WTYADBPJGCZFAS-HNNXBMFYSA-N 2 1 316.367 3.275 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237059869 1099950157 /nfs/dbraw/zinc/95/01/57/1099950157.db2.gz WTYADBPJGCZFAS-HNNXBMFYSA-N 2 1 316.367 3.275 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001237058702 1099950637 /nfs/dbraw/zinc/95/06/37/1099950637.db2.gz RHTSZURKRBFXKP-OAHLLOKOSA-N 2 1 300.368 3.309 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(O)cc4ccccc43)C[C@@H]2C1 ZINC001237077306 1099955331 /nfs/dbraw/zinc/95/53/31/1099955331.db2.gz UDBHTKOERRFFMN-HDICACEKSA-N 2 1 310.441 3.319 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(O)cc4ccccc43)C[C@@H]2C1 ZINC001237077306 1099955336 /nfs/dbraw/zinc/95/53/36/1099955336.db2.gz UDBHTKOERRFFMN-HDICACEKSA-N 2 1 310.441 3.319 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(O)cc4ccccc43)C[C@@H]2C1 ZINC001237077306 1099955344 /nfs/dbraw/zinc/95/53/44/1099955344.db2.gz UDBHTKOERRFFMN-HDICACEKSA-N 2 1 310.441 3.319 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(O)cc4ccccc43)C[C@@H]2C1 ZINC001237077306 1099955352 /nfs/dbraw/zinc/95/53/52/1099955352.db2.gz UDBHTKOERRFFMN-HDICACEKSA-N 2 1 310.441 3.319 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(OC(C)(C)C)c3)C2)C1 ZINC001237106011 1099972385 /nfs/dbraw/zinc/97/23/85/1099972385.db2.gz LENUDYXYGMDDJF-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OC(C)(C)C)c3)C2)C1 ZINC001237106011 1099972397 /nfs/dbraw/zinc/97/23/97/1099972397.db2.gz LENUDYXYGMDDJF-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OC(C)(C)C)c3)C2)C1 ZINC001237106011 1099972434 /nfs/dbraw/zinc/97/24/34/1099972434.db2.gz LENUDYXYGMDDJF-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(CC[NH+]1CCCC1)C2 ZINC001278055915 1099982274 /nfs/dbraw/zinc/98/22/74/1099982274.db2.gz OFSKWMRPVIGLCG-SFHVURJKSA-N 2 1 307.526 3.059 20 0 DGADMP c1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001237155227 1100002913 /nfs/dbraw/zinc/00/29/13/1100002913.db2.gz HJPXYSWLSJGEBI-HXUWFJFHSA-N 2 1 313.489 3.393 20 0 DGADMP c1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001237155227 1100002920 /nfs/dbraw/zinc/00/29/20/1100002920.db2.gz HJPXYSWLSJGEBI-HXUWFJFHSA-N 2 1 313.489 3.393 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001237188537 1100024025 /nfs/dbraw/zinc/02/40/25/1100024025.db2.gz PYFNHBPVJXWPAV-IRJFHVNHSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]1C(=O)CC[N@H+](Cc2cc3c(s2)C[NH2+]CC3)C12CCCC2 ZINC001237190744 1100025755 /nfs/dbraw/zinc/02/57/55/1100025755.db2.gz IEGIMOIJUHLKPA-ZDUSSCGKSA-N 2 1 318.486 3.118 20 0 DGADMP C[C@H]1C(=O)CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C12CCCC2 ZINC001237190744 1100025760 /nfs/dbraw/zinc/02/57/60/1100025760.db2.gz IEGIMOIJUHLKPA-ZDUSSCGKSA-N 2 1 318.486 3.118 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@H]3CCC[NH2+]C3)CC[C@@H]1N2 ZINC001237235265 1100041832 /nfs/dbraw/zinc/04/18/32/1100041832.db2.gz NVPJCDQARQZDGM-SKDZVZGDSA-N 2 1 319.880 3.313 20 0 DGADMP CC1(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]CC1 ZINC001237234268 1100042471 /nfs/dbraw/zinc/04/24/71/1100042471.db2.gz LTPKGELRCBHEGD-WBVHZDCISA-N 2 1 319.880 3.313 20 0 DGADMP Cc1ccc(CC[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001278072484 1100045461 /nfs/dbraw/zinc/04/54/61/1100045461.db2.gz HZKCBSNRHPIEBV-UHFFFAOYSA-N 2 1 323.484 3.464 20 0 DGADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](CCC3C[NH2+]C3)C2)cc1 ZINC001237264531 1100050388 /nfs/dbraw/zinc/05/03/88/1100050388.db2.gz JGOAAZQTSTUGOY-QGZVFWFLSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001237275931 1100056383 /nfs/dbraw/zinc/05/63/83/1100056383.db2.gz SAYFGMZFTOEHAC-QFBILLFUSA-N 2 1 319.468 3.037 20 0 DGADMP CNc1ccccc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237289713 1100062405 /nfs/dbraw/zinc/06/24/05/1100062405.db2.gz SFWZSBUVYGMEGM-UHFFFAOYSA-N 2 1 321.468 3.365 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3CCc3ccccc3)C[C@@H]2C1 ZINC001237295473 1100066567 /nfs/dbraw/zinc/06/65/67/1100066567.db2.gz VIDBFKQVTNLJHG-SZPZYZBQSA-N 2 1 320.480 3.465 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3CCc3ccccc3)C[C@@H]2C1 ZINC001237295473 1100066571 /nfs/dbraw/zinc/06/65/71/1100066571.db2.gz VIDBFKQVTNLJHG-SZPZYZBQSA-N 2 1 320.480 3.465 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3CCc3ccccc3)C[C@@H]2C1 ZINC001237295473 1100066577 /nfs/dbraw/zinc/06/65/77/1100066577.db2.gz VIDBFKQVTNLJHG-SZPZYZBQSA-N 2 1 320.480 3.465 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237401208 1100110233 /nfs/dbraw/zinc/11/02/33/1100110233.db2.gz BZZHHKNBAJJYNF-ICSRJNTNSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237401206 1100110748 /nfs/dbraw/zinc/11/07/48/1100110748.db2.gz BZZHHKNBAJJYNF-AZUAARDMSA-N 2 1 307.441 3.323 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237405481 1100114412 /nfs/dbraw/zinc/11/44/12/1100114412.db2.gz QRVKBFKWKLXQBX-WMZOPIPTSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237405481 1100114416 /nfs/dbraw/zinc/11/44/16/1100114416.db2.gz QRVKBFKWKLXQBX-WMZOPIPTSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237414611 1100117281 /nfs/dbraw/zinc/11/72/81/1100117281.db2.gz MPRYRABTTZRKNL-QZTJIDSGSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237414611 1100117290 /nfs/dbraw/zinc/11/72/90/1100117290.db2.gz MPRYRABTTZRKNL-QZTJIDSGSA-N 2 1 302.462 3.356 20 0 DGADMP COc1ccc2sc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237417747 1100121600 /nfs/dbraw/zinc/12/16/00/1100121600.db2.gz UVYQDODRHDUDNX-DYVFJYSZSA-N 2 1 316.470 3.484 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237417747 1100121606 /nfs/dbraw/zinc/12/16/06/1100121606.db2.gz UVYQDODRHDUDNX-DYVFJYSZSA-N 2 1 316.470 3.484 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccn2nccc2c1 ZINC001237538812 1100165093 /nfs/dbraw/zinc/16/50/93/1100165093.db2.gz DDIGHJLCAGKXEQ-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccn2nccc2c1 ZINC001237538812 1100165097 /nfs/dbraw/zinc/16/50/97/1100165097.db2.gz DDIGHJLCAGKXEQ-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccn2nccc2c1 ZINC001237538812 1100165103 /nfs/dbraw/zinc/16/51/03/1100165103.db2.gz DDIGHJLCAGKXEQ-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccn2nccc2c1 ZINC001237538812 1100165111 /nfs/dbraw/zinc/16/51/11/1100165111.db2.gz DDIGHJLCAGKXEQ-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP CN1CCC([N@@H+](Cc2ccn3nccc3c2)C2CCCC2)CC1 ZINC001237546564 1100167387 /nfs/dbraw/zinc/16/73/87/1100167387.db2.gz NFZVZNZDGRDOAJ-UHFFFAOYSA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](O)[C@@H](C)C3)cc21 ZINC001237880663 1100281006 /nfs/dbraw/zinc/28/10/06/1100281006.db2.gz IAECNOBMKIYKAO-KXBFYZLASA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@]4(CCO4)C3)cc21 ZINC001237887692 1100281913 /nfs/dbraw/zinc/28/19/13/1100281913.db2.gz WXFUVLQSKYRUCE-FQEVSTJZSA-N 2 1 312.457 3.443 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@]34CCOC4)cc21 ZINC001237887134 1100282445 /nfs/dbraw/zinc/28/24/45/1100282445.db2.gz RSODZJALNOEQPK-HXUWFJFHSA-N 2 1 312.457 3.443 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](O)C[C@@H]3C)cc21 ZINC001237888040 1100284873 /nfs/dbraw/zinc/28/48/73/1100284873.db2.gz ZDKZNRLNUNGWEU-WMLDXEAASA-N 2 1 300.446 3.033 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1ccccc1C1CCOCC1 ZINC001237913513 1100290765 /nfs/dbraw/zinc/29/07/65/1100290765.db2.gz MNXWQJAHSCBXGP-UHFFFAOYSA-N 2 1 313.445 3.299 20 0 DGADMP CC[N@@H+](C)C1CCN(Cc2ccccc2C2CCOCC2)CC1 ZINC001237913865 1100290870 /nfs/dbraw/zinc/29/08/70/1100290870.db2.gz PHOWSMGEHFBUKD-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP CC[N@H+](C)C1CC[NH+](Cc2ccccc2C2CCOCC2)CC1 ZINC001237913865 1100290874 /nfs/dbraw/zinc/29/08/74/1100290874.db2.gz PHOWSMGEHFBUKD-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2C2CCOCC2)CC1 ZINC001237913865 1100290880 /nfs/dbraw/zinc/29/08/80/1100290880.db2.gz PHOWSMGEHFBUKD-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237997733 1100321568 /nfs/dbraw/zinc/32/15/68/1100321568.db2.gz HOMOEVJIUJOZCA-UHFFFAOYSA-N 2 1 308.857 3.380 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237997733 1100321574 /nfs/dbraw/zinc/32/15/74/1100321574.db2.gz HOMOEVJIUJOZCA-UHFFFAOYSA-N 2 1 308.857 3.380 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnc(F)cc2Cl)CC1 ZINC001238022704 1100331245 /nfs/dbraw/zinc/33/12/45/1100331245.db2.gz HOZZGOLLDFKYEM-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc(F)cc2Cl)CC1 ZINC001238022704 1100331252 /nfs/dbraw/zinc/33/12/52/1100331252.db2.gz HOZZGOLLDFKYEM-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001205545968 1100371562 /nfs/dbraw/zinc/37/15/62/1100371562.db2.gz NXNCQKIRAUCMGP-AWEZNQCLSA-N 2 1 320.330 3.238 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205545813 1100371913 /nfs/dbraw/zinc/37/19/13/1100371913.db2.gz NIUAGGPJBRJCJT-AWEZNQCLSA-N 2 1 304.331 3.358 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001191446146 1100469153 /nfs/dbraw/zinc/46/91/53/1100469153.db2.gz ZPFFDWGDJRGQTG-RTBURBONSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001191446146 1100469154 /nfs/dbraw/zinc/46/91/54/1100469154.db2.gz ZPFFDWGDJRGQTG-RTBURBONSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001191446146 1100469158 /nfs/dbraw/zinc/46/91/58/1100469158.db2.gz ZPFFDWGDJRGQTG-RTBURBONSA-N 2 1 320.521 3.390 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238690645 1100503439 /nfs/dbraw/zinc/50/34/39/1100503439.db2.gz QIUCLYAJFGSDHQ-IRXDYDNUSA-N 2 1 304.503 3.491 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001238701376 1100505753 /nfs/dbraw/zinc/50/57/53/1100505753.db2.gz GHEGBRWUQXZABC-UHFFFAOYSA-N 2 1 319.468 3.342 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(C)c1OC(C)C ZINC001238753938 1100519785 /nfs/dbraw/zinc/51/97/85/1100519785.db2.gz VSIHLLNYUUWRQQ-MOPGFXCFSA-N 2 1 316.489 3.474 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591694 1100605135 /nfs/dbraw/zinc/60/51/35/1100605135.db2.gz NZASWSDDMAEBGL-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591694 1100605136 /nfs/dbraw/zinc/60/51/36/1100605136.db2.gz NZASWSDDMAEBGL-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)cs2)CC[C@H]1C[NH3+] ZINC001205604706 1100653787 /nfs/dbraw/zinc/65/37/87/1100653787.db2.gz WAJMXXCGUBOWKG-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC001192868287 1100667816 /nfs/dbraw/zinc/66/78/16/1100667816.db2.gz GDGFWIXTSWSQAL-MOPGFXCFSA-N 2 1 306.494 3.409 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2sccc2Br)CC[C@H]1C[NH3+] ZINC001205617819 1100684266 /nfs/dbraw/zinc/68/42/66/1100684266.db2.gz ODJTXVAAEOKFDX-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC001205618196 1100695698 /nfs/dbraw/zinc/69/56/98/1100695698.db2.gz SOXRWXDXYKQUOE-HUUCEWRRSA-N 2 1 305.466 3.066 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205627914 1100724335 /nfs/dbraw/zinc/72/43/35/1100724335.db2.gz SUEKBDJWFFRFRC-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205638123 1100765650 /nfs/dbraw/zinc/76/56/50/1100765650.db2.gz LMVMHKRMRBVJPJ-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001193849840 1100827149 /nfs/dbraw/zinc/82/71/49/1100827149.db2.gz SUIDESNUHTTYCX-SFHVURJKSA-N 2 1 304.478 3.257 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc(F)c(Cl)c1 ZINC001193848119 1100827508 /nfs/dbraw/zinc/82/75/08/1100827508.db2.gz AAJBCSKWPPSNCG-UHFFFAOYSA-N 2 1 314.832 3.276 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc(F)c(Cl)c1 ZINC001193848119 1100827512 /nfs/dbraw/zinc/82/75/12/1100827512.db2.gz AAJBCSKWPPSNCG-UHFFFAOYSA-N 2 1 314.832 3.276 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001194221721 1100897780 /nfs/dbraw/zinc/89/77/80/1100897780.db2.gz MTSDRRZNWCUIFE-QRQLOZEOSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001194221721 1100897787 /nfs/dbraw/zinc/89/77/87/1100897787.db2.gz MTSDRRZNWCUIFE-QRQLOZEOSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001194221721 1100897795 /nfs/dbraw/zinc/89/77/95/1100897795.db2.gz MTSDRRZNWCUIFE-QRQLOZEOSA-N 2 1 304.478 3.161 20 0 DGADMP CC[C@@H](C)[C@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001194250691 1100902188 /nfs/dbraw/zinc/90/21/88/1100902188.db2.gz IYFXPYPRLBLAMM-MOPGFXCFSA-N 2 1 317.521 3.171 20 0 DGADMP C[C@@H]([NH3+])c1ccc(-c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001240299600 1100931691 /nfs/dbraw/zinc/93/16/91/1100931691.db2.gz QAWYQHYYLCFTOE-MRXNPFEDSA-N 2 1 309.457 3.121 20 0 DGADMP C[C@H]([NH3+])c1ccccc1-c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001240408766 1100983159 /nfs/dbraw/zinc/98/31/59/1100983159.db2.gz UKYLKZZPOXKLBZ-INIZCTEOSA-N 2 1 309.457 3.121 20 0 DGADMP [NH3+][C@@H]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc21 ZINC001240477917 1101015729 /nfs/dbraw/zinc/01/57/29/1101015729.db2.gz BGRONALPBFCUKQ-HXUWFJFHSA-N 2 1 308.425 3.132 20 0 DGADMP [NH3+]CCc1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001240866382 1101164898 /nfs/dbraw/zinc/16/48/98/1101164898.db2.gz IIULHPNXALITDQ-UHFFFAOYSA-N 2 1 322.452 3.176 20 0 DGADMP CCOc1ccc(F)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241103296 1101255874 /nfs/dbraw/zinc/25/58/74/1101255874.db2.gz QMCUUVODHADRDK-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP C[N@@H+]1CC=C(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)CC1 ZINC001241309783 1101366578 /nfs/dbraw/zinc/36/65/78/1101366578.db2.gz ZSXBYOUKPAVKNL-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[NH+]1CC=C(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001241309783 1101366593 /nfs/dbraw/zinc/36/65/93/1101366593.db2.gz ZSXBYOUKPAVKNL-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[NH+]1CC=C(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001241309783 1101366608 /nfs/dbraw/zinc/36/66/08/1101366608.db2.gz ZSXBYOUKPAVKNL-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001197263996 1101514170 /nfs/dbraw/zinc/51/41/70/1101514170.db2.gz IRCICZVVTKQYOX-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001197263996 1101514180 /nfs/dbraw/zinc/51/41/80/1101514180.db2.gz IRCICZVVTKQYOX-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001197284724 1101529964 /nfs/dbraw/zinc/52/99/64/1101529964.db2.gz KVKMOJTWZAZBTN-UHFFFAOYSA-N 2 1 318.461 3.171 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197930609 1101706017 /nfs/dbraw/zinc/70/60/17/1101706017.db2.gz RKLAJFXQMFJCPB-ZHALLVOQSA-N 2 1 317.477 3.187 20 0 DGADMP C[N@@H+]1CCc2cc(-c3cccc(C[NH+]4CCOCC4)c3)ccc2C1 ZINC001241818538 1101724009 /nfs/dbraw/zinc/72/40/09/1101724009.db2.gz VAJSBQMKEOHYRR-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP C[N@H+]1CCc2cc(-c3cccc(C[NH+]4CCOCC4)c3)ccc2C1 ZINC001241818538 1101724022 /nfs/dbraw/zinc/72/40/22/1101724022.db2.gz VAJSBQMKEOHYRR-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP Nc1cc[nH+]c2cc(-c3cccc(C[NH+]4CCOCC4)c3)ccc12 ZINC001241817830 1101724709 /nfs/dbraw/zinc/72/47/09/1101724709.db2.gz GLWWHEBUBWFEKS-UHFFFAOYSA-N 2 1 319.408 3.316 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000161030029 1102085776 /nfs/dbraw/zinc/08/57/76/1102085776.db2.gz LPOAPPNBHRGEAK-LMCOJAPRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000161030029 1102085791 /nfs/dbraw/zinc/08/57/91/1102085791.db2.gz LPOAPPNBHRGEAK-LMCOJAPRSA-N 2 1 315.505 3.112 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC001199296243 1102104391 /nfs/dbraw/zinc/10/43/91/1102104391.db2.gz QUCDPLDMWYMSNP-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC001199296243 1102104396 /nfs/dbraw/zinc/10/43/96/1102104396.db2.gz QUCDPLDMWYMSNP-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001199843587 1102222944 /nfs/dbraw/zinc/22/29/44/1102222944.db2.gz PBDZKQVCHGYARS-LRYGQEGESA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904218 1102448968 /nfs/dbraw/zinc/44/89/68/1102448968.db2.gz TTZHNUVOIWZKFO-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904218 1102448974 /nfs/dbraw/zinc/44/89/74/1102448974.db2.gz TTZHNUVOIWZKFO-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP COc1cnc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(Cl)c1 ZINC001278355186 1102415464 /nfs/dbraw/zinc/41/54/64/1102415464.db2.gz RWAOUXLHAPVRRY-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1cnc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC001278355186 1102415469 /nfs/dbraw/zinc/41/54/69/1102415469.db2.gz RWAOUXLHAPVRRY-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CCCCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044389 1102480538 /nfs/dbraw/zinc/48/05/38/1102480538.db2.gz VDCYTOGEGDRNHB-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913446 1102514536 /nfs/dbraw/zinc/51/45/36/1102514536.db2.gz IJFBRVWACPBAAD-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913446 1102514543 /nfs/dbraw/zinc/51/45/43/1102514543.db2.gz IJFBRVWACPBAAD-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916643 1102580829 /nfs/dbraw/zinc/58/08/29/1102580829.db2.gz VJFPSALEBRWNCF-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916643 1102580838 /nfs/dbraw/zinc/58/08/38/1102580838.db2.gz VJFPSALEBRWNCF-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC(C)C)CC3)C2)cc1 ZINC001201471796 1102623472 /nfs/dbraw/zinc/62/34/72/1102623472.db2.gz ZATJBQKWGUQVHD-UHFFFAOYSA-N 2 1 316.489 3.318 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201543387 1102632312 /nfs/dbraw/zinc/63/23/12/1102632312.db2.gz FYVCRDSPFTUGIN-QRQLOZEOSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201543387 1102632319 /nfs/dbraw/zinc/63/23/19/1102632319.db2.gz FYVCRDSPFTUGIN-QRQLOZEOSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201543387 1102632325 /nfs/dbraw/zinc/63/23/25/1102632325.db2.gz FYVCRDSPFTUGIN-QRQLOZEOSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001201544709 1102634119 /nfs/dbraw/zinc/63/41/19/1102634119.db2.gz ZPECAJPISYNGEV-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201638062 1102667714 /nfs/dbraw/zinc/66/77/14/1102667714.db2.gz HTCYTZHIEIUDRF-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC[NH+](CC)Cc1ccccc1-c1cc(-n2cc[nH+]c2C)ncn1 ZINC001243340807 1102671665 /nfs/dbraw/zinc/67/16/65/1102671665.db2.gz XIPNWXWXAMODLD-UHFFFAOYSA-N 2 1 321.428 3.480 20 0 DGADMP CCC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201641695 1102684577 /nfs/dbraw/zinc/68/45/77/1102684577.db2.gz OATCMEBHWQHPQB-MRXNPFEDSA-N 2 1 309.404 3.025 20 0 DGADMP CCC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201641695 1102684582 /nfs/dbraw/zinc/68/45/82/1102684582.db2.gz OATCMEBHWQHPQB-MRXNPFEDSA-N 2 1 309.404 3.025 20 0 DGADMP CCC[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201641695 1102684588 /nfs/dbraw/zinc/68/45/88/1102684588.db2.gz OATCMEBHWQHPQB-MRXNPFEDSA-N 2 1 309.404 3.025 20 0 DGADMP CCC[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201641695 1102684593 /nfs/dbraw/zinc/68/45/93/1102684593.db2.gz OATCMEBHWQHPQB-MRXNPFEDSA-N 2 1 309.404 3.025 20 0 DGADMP CCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201819008 1102735652 /nfs/dbraw/zinc/73/56/52/1102735652.db2.gz ZMLIKPMZHRWQIN-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001202397242 1102983767 /nfs/dbraw/zinc/98/37/67/1102983767.db2.gz ZTSWUUMMILPHPG-HNNXBMFYSA-N 2 1 322.415 3.152 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001202397242 1102983775 /nfs/dbraw/zinc/98/37/75/1102983775.db2.gz ZTSWUUMMILPHPG-HNNXBMFYSA-N 2 1 322.415 3.152 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001202397242 1102983785 /nfs/dbraw/zinc/98/37/85/1102983785.db2.gz ZTSWUUMMILPHPG-HNNXBMFYSA-N 2 1 322.415 3.152 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001202397242 1102983790 /nfs/dbraw/zinc/98/37/90/1102983790.db2.gz ZTSWUUMMILPHPG-HNNXBMFYSA-N 2 1 322.415 3.152 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC001325745355 1103114860 /nfs/dbraw/zinc/11/48/60/1103114860.db2.gz XKFZFXYBBOXSOZ-STQMWFEESA-N 2 1 320.868 3.483 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC001327838828 1103483915 /nfs/dbraw/zinc/48/39/15/1103483915.db2.gz DBMNDXCGQBOYEL-VHSXEESVSA-N 2 1 303.219 3.237 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948563 1103540858 /nfs/dbraw/zinc/54/08/58/1103540858.db2.gz LZJZVAKFHODJEQ-INIZCTEOSA-N 2 1 313.445 3.247 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948563 1103540867 /nfs/dbraw/zinc/54/08/67/1103540867.db2.gz LZJZVAKFHODJEQ-INIZCTEOSA-N 2 1 313.445 3.247 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948563 1103540875 /nfs/dbraw/zinc/54/08/75/1103540875.db2.gz LZJZVAKFHODJEQ-INIZCTEOSA-N 2 1 313.445 3.247 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948563 1103540886 /nfs/dbraw/zinc/54/08/86/1103540886.db2.gz LZJZVAKFHODJEQ-INIZCTEOSA-N 2 1 313.445 3.247 20 0 DGADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001327144985 1103550624 /nfs/dbraw/zinc/55/06/24/1103550624.db2.gz BMSAZBJALVHWNM-QZTJIDSGSA-N 2 1 323.525 3.044 20 0 DGADMP c1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001327206240 1103584910 /nfs/dbraw/zinc/58/49/10/1103584910.db2.gz NIFCQHXPKGNQCA-HOTGVXAUSA-N 2 1 312.461 3.132 20 0 DGADMP C[C@H]1CCc2ccccc2N1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001328214380 1103876394 /nfs/dbraw/zinc/87/63/94/1103876394.db2.gz GPACMDRLLFVRNN-INIZCTEOSA-N 2 1 313.489 3.044 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC001328401353 1103934289 /nfs/dbraw/zinc/93/42/89/1103934289.db2.gz WLKOJWPDARARSM-MLGOLLRUSA-N 2 1 318.852 3.289 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cn12 ZINC001245349540 1103999397 /nfs/dbraw/zinc/99/93/97/1103999397.db2.gz GPYJVYKKFVMOGQ-GOSISDBHSA-N 3 1 318.424 3.113 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC001137165345 1104030021 /nfs/dbraw/zinc/03/00/21/1104030021.db2.gz GXWLEWBDSMFYCW-UHFFFAOYSA-N 2 1 316.836 3.177 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765513 1104062563 /nfs/dbraw/zinc/06/25/63/1104062563.db2.gz XGAPPRAQYHZSFT-LSDHHAIUSA-N 2 1 318.486 3.397 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765513 1104062572 /nfs/dbraw/zinc/06/25/72/1104062572.db2.gz XGAPPRAQYHZSFT-LSDHHAIUSA-N 2 1 318.486 3.397 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)C3CC3)cc2)c2ccccc21 ZINC001329025283 1104127205 /nfs/dbraw/zinc/12/72/05/1104127205.db2.gz UVDWTAOTKJGGRY-MOPGFXCFSA-N 2 1 321.424 3.270 20 0 DGADMP C[C@H]1CCc2nc(CNC[C@@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161555 1104174466 /nfs/dbraw/zinc/17/44/66/1104174466.db2.gz NRRQELHOSSCCAU-KBPBESRZSA-N 2 1 307.507 3.089 20 0 DGADMP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+](Cc2cccs2)C3)c1 ZINC001204014407 1104206161 /nfs/dbraw/zinc/20/61/61/1104206161.db2.gz STUHLYTZVFBIGX-GASCZTMLSA-N 2 1 302.443 3.295 20 0 DGADMP c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4cccs4)C3)C2)c1 ZINC001204014407 1104206169 /nfs/dbraw/zinc/20/61/69/1104206169.db2.gz STUHLYTZVFBIGX-GASCZTMLSA-N 2 1 302.443 3.295 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246054917 1104359886 /nfs/dbraw/zinc/35/98/86/1104359886.db2.gz LNWONQCTTCKOIF-KZNAEPCWSA-N 2 1 322.468 3.449 20 0 DGADMP CCCCC[C@@H](O)CN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246062208 1104361676 /nfs/dbraw/zinc/36/16/76/1104361676.db2.gz ZGUFCFMZZFICHI-QGZVFWFLSA-N 2 1 302.462 3.022 20 0 DGADMP CC(C)(C)[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246071169 1104363836 /nfs/dbraw/zinc/36/38/36/1104363836.db2.gz XTBHFLMHZKGCPH-QGZVFWFLSA-N 2 1 324.896 3.301 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001246070299 1104365235 /nfs/dbraw/zinc/36/52/35/1104365235.db2.gz MQYGHSGNAIGAKU-SJLPKXTDSA-N 2 1 324.896 3.083 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001246070299 1104365246 /nfs/dbraw/zinc/36/52/46/1104365246.db2.gz MQYGHSGNAIGAKU-SJLPKXTDSA-N 2 1 324.896 3.083 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@]1(O)CCC[NH2+]C1 ZINC001246069444 1104365751 /nfs/dbraw/zinc/36/57/51/1104365751.db2.gz XVTMZNSEBRTVSF-PMACEKPBSA-N 2 1 318.505 3.224 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246074991 1104369008 /nfs/dbraw/zinc/36/90/08/1104369008.db2.gz RZURGYOJQHJWAD-AOIWGVFYSA-N 2 1 319.468 3.001 20 0 DGADMP COC(=O)[C@H]([NH2+]C1CCC2(CCC[NH2+]C2)CC1)C1CCCCC1 ZINC001246076501 1104371610 /nfs/dbraw/zinc/37/16/10/1104371610.db2.gz DLAHIUITEYXVFP-TVRKMHQQSA-N 2 1 322.493 3.010 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246080909 1104374148 /nfs/dbraw/zinc/37/41/48/1104374148.db2.gz PUPDRICQPPWVAD-RBUKOAKNSA-N 3 1 303.494 3.369 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC)c2ccccc2)CC[NH2+]1 ZINC001246081272 1104376565 /nfs/dbraw/zinc/37/65/65/1104376565.db2.gz RPUNYJYMKRLQSU-SQNIBIBYSA-N 2 1 318.461 3.191 20 0 DGADMP C(CC[NH+]1CCNCC1)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246086583 1104379019 /nfs/dbraw/zinc/37/90/19/1104379019.db2.gz DQWFBYNPGULPAA-UHFFFAOYSA-N 2 1 307.526 3.155 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[NH2+]1 ZINC001246091948 1104380652 /nfs/dbraw/zinc/38/06/52/1104380652.db2.gz BNLUTJCGTAXGMR-LXZKKBNFSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@H]1[NH2+]CC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246095114 1104382992 /nfs/dbraw/zinc/38/29/92/1104382992.db2.gz YYSIRKWGJOTYOP-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1[NH2+]CC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246095114 1104383001 /nfs/dbraw/zinc/38/30/01/1104383001.db2.gz YYSIRKWGJOTYOP-NEWSRXKRSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H]1[NH2+]CC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246095114 1104383014 /nfs/dbraw/zinc/38/30/14/1104383014.db2.gz YYSIRKWGJOTYOP-NEWSRXKRSA-N 3 1 315.505 3.017 20 0 DGADMP c1ccc(COc2ccc3c(c2)C[C@H]([NH2+][C@H]2CC[NH2+]C2)CC3)cc1 ZINC001246113510 1104391886 /nfs/dbraw/zinc/39/18/86/1104391886.db2.gz BRVCXEWYCDLWPR-UXHICEINSA-N 2 1 322.452 3.074 20 0 DGADMP F[C@@]1(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246115639 1104393885 /nfs/dbraw/zinc/39/38/85/1104393885.db2.gz RXJHAZLJAFLVIQ-PBHICJAKSA-N 2 1 310.844 3.269 20 0 DGADMP CCOC(=O)C[C@]1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC001246128379 1104398248 /nfs/dbraw/zinc/39/82/48/1104398248.db2.gz SMZBNQQTIFMJFG-VQIMIIECSA-N 2 1 322.493 3.154 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246129634 1104399334 /nfs/dbraw/zinc/39/93/34/1104399334.db2.gz GTWHIEIZEBWPKV-ZUZCIYMTSA-N 2 1 314.807 3.281 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246171965 1104419049 /nfs/dbraw/zinc/41/90/49/1104419049.db2.gz XWPOJEIWEHLLSW-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246163557 1104413961 /nfs/dbraw/zinc/41/39/61/1104413961.db2.gz ZHZZZRRFTZIHPP-OALUTQOASA-N 2 1 303.494 3.191 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167706 1104414857 /nfs/dbraw/zinc/41/48/57/1104414857.db2.gz DUAPOPJUBJCJGK-OTWHNJEPSA-N 2 1 321.553 3.399 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167706 1104414863 /nfs/dbraw/zinc/41/48/63/1104414863.db2.gz DUAPOPJUBJCJGK-OTWHNJEPSA-N 3 1 321.553 3.399 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167706 1104414869 /nfs/dbraw/zinc/41/48/69/1104414869.db2.gz DUAPOPJUBJCJGK-OTWHNJEPSA-N 3 1 321.553 3.399 20 0 DGADMP F[C@]1(C[NH2+]C2CCC(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC001246168437 1104415622 /nfs/dbraw/zinc/41/56/22/1104415622.db2.gz DDKXDSQEDPZCCZ-CTWPCTMYSA-N 2 1 304.453 3.469 20 0 DGADMP Clc1ccccc1N1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC001246170896 1104417778 /nfs/dbraw/zinc/41/77/78/1104417778.db2.gz UPJXIIWIRBZKBH-OAHLLOKOSA-N 2 1 307.869 3.041 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246172834 1104419216 /nfs/dbraw/zinc/41/92/16/1104419216.db2.gz CZPZEWVYLISKQB-PZJWPPBQSA-N 2 1 323.484 3.378 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[NH2+]1 ZINC001246177349 1104422173 /nfs/dbraw/zinc/42/21/73/1104422173.db2.gz JJLKGCOACXEAQG-DLBZAZTESA-N 2 1 318.461 3.262 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246183094 1104425845 /nfs/dbraw/zinc/42/58/45/1104425845.db2.gz DCTOBWCNRWOZJE-OALUTQOASA-N 2 1 303.494 3.191 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191684 1104431769 /nfs/dbraw/zinc/43/17/69/1104431769.db2.gz XETSJFSLIQXWAY-IUODEOHRSA-N 2 1 316.367 3.248 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246195554 1104432755 /nfs/dbraw/zinc/43/27/55/1104432755.db2.gz XKCOVEWJTYJTSM-RTBURBONSA-N 3 1 309.542 3.401 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC001246199426 1104433879 /nfs/dbraw/zinc/43/38/79/1104433879.db2.gz JUJLCRBKIFRJNR-BACDZXNISA-N 2 1 324.509 3.112 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246202219 1104435836 /nfs/dbraw/zinc/43/58/36/1104435836.db2.gz SKQIIUCBTNFATG-BBWFWOEESA-N 2 1 322.493 3.010 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]CCCC[C@H]([NH3+])C(=O)OC)CC1 ZINC001246206288 1104437183 /nfs/dbraw/zinc/43/71/83/1104437183.db2.gz YQOCZCPPMUATKA-GPANFISMSA-N 2 1 312.498 3.242 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246219832 1104443316 /nfs/dbraw/zinc/44/33/16/1104443316.db2.gz HXHJRJWVFINFRQ-IUODEOHRSA-N 2 1 316.823 3.496 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246226501 1104447921 /nfs/dbraw/zinc/44/79/21/1104447921.db2.gz QVZLWLBEOJDTAP-STQMWFEESA-N 2 1 304.331 3.465 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)cc1F ZINC001246228480 1104447981 /nfs/dbraw/zinc/44/79/81/1104447981.db2.gz XRMSHUFCTGWICF-HNNXBMFYSA-N 2 1 306.425 3.379 20 0 DGADMP OC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246231044 1104448794 /nfs/dbraw/zinc/44/87/94/1104448794.db2.gz RBAMKIUQZKYJRZ-SLFFLAALSA-N 2 1 316.489 3.401 20 0 DGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246235567 1104450308 /nfs/dbraw/zinc/45/03/08/1104450308.db2.gz YUWLWPXPTNGEGU-KBPBESRZSA-N 2 1 314.445 3.310 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246238180 1104452425 /nfs/dbraw/zinc/45/24/25/1104452425.db2.gz YLOAUYLEDZVEAQ-STQMWFEESA-N 2 1 316.367 3.334 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246254440 1104460637 /nfs/dbraw/zinc/46/06/37/1104460637.db2.gz HLKXWDRTYJTSJU-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246271728 1104467686 /nfs/dbraw/zinc/46/76/86/1104467686.db2.gz WYLNOGLKEXLQDM-RDTXWAMCSA-N 2 1 302.849 3.431 20 0 DGADMP CCOC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1)c1ccccc1 ZINC001246292715 1104475273 /nfs/dbraw/zinc/47/52/73/1104475273.db2.gz PLRXLJAICXLAPB-BZSNNMDCSA-N 2 1 318.461 3.047 20 0 DGADMP CCOC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1)c1ccccc1 ZINC001246292716 1104475325 /nfs/dbraw/zinc/47/53/25/1104475325.db2.gz PLRXLJAICXLAPB-KSZLIROESA-N 2 1 318.461 3.047 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246290740 1104475846 /nfs/dbraw/zinc/47/58/46/1104475846.db2.gz YXICZIGXEUEZAL-BXUZGUMPSA-N 2 1 309.251 3.168 20 0 DGADMP CCC1CCC(C2CCC([NH2+][C@@]3(CCO)CC[NH2+]C3)CC2)CC1 ZINC001246295528 1104477124 /nfs/dbraw/zinc/47/71/24/1104477124.db2.gz OUFJUHGHTDFGEY-ZWQJFZRQSA-N 2 1 322.537 3.466 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246298693 1104478806 /nfs/dbraw/zinc/47/88/06/1104478806.db2.gz DDJQOZDHZJVQAN-YOEHRIQHSA-N 2 1 302.849 3.431 20 0 DGADMP CCCC[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298731 1104478822 /nfs/dbraw/zinc/47/88/22/1104478822.db2.gz DSJQHPXRDVOZIZ-AABGKKOBSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298731 1104478826 /nfs/dbraw/zinc/47/88/26/1104478826.db2.gz DSJQHPXRDVOZIZ-AABGKKOBSA-N 2 1 315.505 3.161 20 0 DGADMP CC[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246310450 1104481892 /nfs/dbraw/zinc/48/18/92/1104481892.db2.gz CPSGUKXGPTWZML-WOJBJXKFSA-N 2 1 324.468 3.450 20 0 DGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001246307944 1104482595 /nfs/dbraw/zinc/48/25/95/1104482595.db2.gz HWMOXKCZDYZVCZ-IRIQXGSBSA-N 3 1 321.553 3.286 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@@H]2C)C[NH2+]1 ZINC001246313448 1104483911 /nfs/dbraw/zinc/48/39/11/1104483911.db2.gz ZLKTXLBONXLIOV-IAPTUPAJSA-N 2 1 321.553 3.285 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[NH2+]1 ZINC001246313109 1104484287 /nfs/dbraw/zinc/48/42/87/1104484287.db2.gz BNLUTJCGTAXGMR-FRFSOERESA-N 2 1 306.425 3.406 20 0 DGADMP CC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246318127 1104486404 /nfs/dbraw/zinc/48/64/04/1104486404.db2.gz QOGJFIHTRNEEKB-KSSFIOAISA-N 2 1 300.446 3.496 20 0 DGADMP c1ccc2c(c1)CCc1ccccc1C2C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246326049 1104490488 /nfs/dbraw/zinc/49/04/88/1104490488.db2.gz STXMODSEHWQNHT-SFHVURJKSA-N 2 1 306.453 3.259 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001246330888 1104494418 /nfs/dbraw/zinc/49/44/18/1104494418.db2.gz ZOVSMKGGLFQZSC-XFBWCDHKSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337880 1104497540 /nfs/dbraw/zinc/49/75/40/1104497540.db2.gz XDGADBPFAMUQTK-IEBWSBKVSA-N 2 1 315.505 3.006 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c(F)c1 ZINC001246348210 1104503061 /nfs/dbraw/zinc/50/30/61/1104503061.db2.gz LIUKXYDAXBKSQI-HNNXBMFYSA-N 2 1 306.425 3.379 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246361361 1104507560 /nfs/dbraw/zinc/50/75/60/1104507560.db2.gz NYRUAQPIRCIRPF-JZXOWHBKSA-N 2 1 307.526 3.150 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246363058 1104509805 /nfs/dbraw/zinc/50/98/05/1104509805.db2.gz OTIDGVLGMVAAOU-IRXDYDNUSA-N 2 1 318.461 3.120 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC001246367801 1104511192 /nfs/dbraw/zinc/51/11/92/1104511192.db2.gz SADRWFLCQMUQPN-LPHOPBHVSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC001246389812 1104520203 /nfs/dbraw/zinc/52/02/03/1104520203.db2.gz JJZJLUMQTYQFNE-ZIAGYGMSSA-N 2 1 308.853 3.076 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)C[NH2+]1 ZINC001246395402 1104523867 /nfs/dbraw/zinc/52/38/67/1104523867.db2.gz MBSLIUXETFZLFQ-LYRGGWFBSA-N 2 1 323.278 3.037 20 0 DGADMP CC1(C)CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246403725 1104530023 /nfs/dbraw/zinc/53/00/23/1104530023.db2.gz CZWPHAZWADSPKO-SJORKVTESA-N 2 1 318.461 3.006 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274890344 1104534801 /nfs/dbraw/zinc/53/48/01/1104534801.db2.gz FTYKSBWIOIUPIB-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP C1=CO[C@H](C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)CC1 ZINC001274898285 1104537094 /nfs/dbraw/zinc/53/70/94/1104537094.db2.gz ADHVKXDOZGZZQH-OALUTQOASA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@H](C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001274898285 1104537103 /nfs/dbraw/zinc/53/71/03/1104537103.db2.gz ADHVKXDOZGZZQH-OALUTQOASA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@H](C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001274898285 1104537110 /nfs/dbraw/zinc/53/71/10/1104537110.db2.gz ADHVKXDOZGZZQH-OALUTQOASA-N 2 1 304.478 3.410 20 0 DGADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C)CCCCC1 ZINC001274905866 1104538295 /nfs/dbraw/zinc/53/82/95/1104538295.db2.gz KNZQJETVDDXDQR-AYHJJNSGSA-N 2 1 307.526 3.103 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)CCCCC1 ZINC001274905866 1104538303 /nfs/dbraw/zinc/53/83/03/1104538303.db2.gz KNZQJETVDDXDQR-AYHJJNSGSA-N 2 1 307.526 3.103 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C)CCCCC1 ZINC001274905866 1104538311 /nfs/dbraw/zinc/53/83/11/1104538311.db2.gz KNZQJETVDDXDQR-AYHJJNSGSA-N 2 1 307.526 3.103 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246446034 1104542255 /nfs/dbraw/zinc/54/22/55/1104542255.db2.gz JZGREODNLGKXSS-QZTJIDSGSA-N 3 1 307.526 3.199 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246442356 1104542669 /nfs/dbraw/zinc/54/26/69/1104542669.db2.gz NMCSNPLCFYCGBG-FRYIKTPZSA-N 2 1 315.505 3.207 20 0 DGADMP CC[C@]1([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460759 1104548064 /nfs/dbraw/zinc/54/80/64/1104548064.db2.gz MYKPMOSRDNZXRU-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP COc1cccc2c1CC[C@H](CCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246462595 1104550370 /nfs/dbraw/zinc/55/03/70/1104550370.db2.gz BWUBDVIFDLYOJG-BQFCYCMXSA-N 2 1 316.489 3.310 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1Br ZINC001246502001 1104568055 /nfs/dbraw/zinc/56/80/55/1104568055.db2.gz CLMCDQPAAHVEKI-JSGCOSHPSA-N 2 1 313.283 3.343 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246488930 1104562921 /nfs/dbraw/zinc/56/29/21/1104562921.db2.gz OQBXVYNPZBZPAP-GXTWGEPZSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246487983 1104563035 /nfs/dbraw/zinc/56/30/35/1104563035.db2.gz UTQBLJJTEAMWRZ-KBAYOESNSA-N 2 1 318.461 3.006 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246488858 1104563141 /nfs/dbraw/zinc/56/31/41/1104563141.db2.gz ONWUHBGZZVBLIZ-DZGCQCFKSA-N 2 1 314.807 3.032 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246493933 1104565560 /nfs/dbraw/zinc/56/55/60/1104565560.db2.gz GUHRMKDDOJRCOF-XUJVJEKNSA-N 2 1 300.368 3.224 20 0 DGADMP COCC[N@H+]1CCC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001274980825 1104565910 /nfs/dbraw/zinc/56/59/10/1104565910.db2.gz TVLJXFRAVQAXHX-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP COCC[NH+]1CCC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001274980825 1104565914 /nfs/dbraw/zinc/56/59/14/1104565914.db2.gz TVLJXFRAVQAXHX-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP COCC[NH+]1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001274980825 1104565919 /nfs/dbraw/zinc/56/59/19/1104565919.db2.gz TVLJXFRAVQAXHX-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ncc1Br ZINC001246498712 1104566509 /nfs/dbraw/zinc/56/65/09/1104566509.db2.gz WXINOJXIODZOPD-ACJTYDJDSA-N 2 1 324.266 3.086 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)C[C@H]1C ZINC001246498221 1104566718 /nfs/dbraw/zinc/56/67/18/1104566718.db2.gz GZXPRNGRQGWVFV-FPCVCCKLSA-N 2 1 312.498 3.240 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001246503300 1104568189 /nfs/dbraw/zinc/56/81/89/1104568189.db2.gz KHBRCUHHHWUGTE-ADKAHSJRSA-N 2 1 318.461 3.118 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001246502808 1104569016 /nfs/dbraw/zinc/56/90/16/1104569016.db2.gz GFEWOFHLVKCZCK-XBMUEBEBSA-N 2 1 304.478 3.477 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3CNc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246506373 1104569846 /nfs/dbraw/zinc/56/98/46/1104569846.db2.gz SMZHCKRXAHPMQY-CMKODMSKSA-N 2 1 307.441 3.106 20 0 DGADMP Brc1ccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246513220 1104571784 /nfs/dbraw/zinc/57/17/84/1104571784.db2.gz HAOBZIHMONTYQU-ILXRZTDVSA-N 2 1 309.251 3.037 20 0 DGADMP C1CCC2(CC1)C[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCCCC3)C1)CC[NH2+]2 ZINC001246514207 1104572442 /nfs/dbraw/zinc/57/24/42/1104572442.db2.gz PLPCJNVWOWFGMU-QZTJIDSGSA-N 3 1 319.537 3.486 20 0 DGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992436 1104572543 /nfs/dbraw/zinc/57/25/43/1104572543.db2.gz CFZIAVYMXNKENP-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992436 1104572548 /nfs/dbraw/zinc/57/25/48/1104572548.db2.gz CFZIAVYMXNKENP-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992436 1104572557 /nfs/dbraw/zinc/57/25/57/1104572557.db2.gz CFZIAVYMXNKENP-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992436 1104572560 /nfs/dbraw/zinc/57/25/60/1104572560.db2.gz CFZIAVYMXNKENP-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C1CCC2(CC1)C[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCCCC3)C1)CC[NH2+]2 ZINC001246514208 1104572961 /nfs/dbraw/zinc/57/29/61/1104572961.db2.gz PLPCJNVWOWFGMU-ROUUACIJSA-N 3 1 319.537 3.486 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N[C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246516325 1104574405 /nfs/dbraw/zinc/57/44/05/1104574405.db2.gz VKTDCKCRSMZQBK-ZWKOTPCHSA-N 2 1 319.537 3.438 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH+]3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246518999 1104574670 /nfs/dbraw/zinc/57/46/70/1104574670.db2.gz KWCMAHAOSHXVOH-NHCUHLMSSA-N 2 1 321.468 3.302 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246526946 1104577598 /nfs/dbraw/zinc/57/75/98/1104577598.db2.gz DGPAANVNDJRWDO-QZTJIDSGSA-N 2 1 321.896 3.239 20 0 DGADMP CCCCC[C@H]([NH2+]C1CCC2(CCC[NH2+]C2)CC1)C(=O)OC ZINC001246524935 1104578100 /nfs/dbraw/zinc/57/81/00/1104578100.db2.gz QEUMESWAMFRQST-PQUAAJSLSA-N 2 1 310.482 3.010 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(OC)c(F)c3F)(C1)CCC2 ZINC001275018286 1104578314 /nfs/dbraw/zinc/57/83/14/1104578314.db2.gz UBDNWMYTZUKICO-DLBZAZTESA-N 2 1 310.388 3.128 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CO2 ZINC001246523552 1104578252 /nfs/dbraw/zinc/57/82/52/1104578252.db2.gz NTVOVNGLLUFXGS-INIZCTEOSA-N 2 1 320.864 3.109 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1C ZINC001246523151 1104578376 /nfs/dbraw/zinc/57/83/76/1104578376.db2.gz WVOBPSFFRWECHT-OPVJXMOQSA-N 2 1 313.489 3.099 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001246530740 1104579477 /nfs/dbraw/zinc/57/94/77/1104579477.db2.gz AYGOHKHOOFCBFP-INIZCTEOSA-N 2 1 321.896 3.301 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246535591 1104581850 /nfs/dbraw/zinc/58/18/50/1104581850.db2.gz IZXNHUVSXKLDMR-WBVHZDCISA-N 2 1 304.478 3.479 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246539569 1104583182 /nfs/dbraw/zinc/58/31/82/1104583182.db2.gz RLIHIKMLITZUBQ-DZFIZOCASA-N 2 1 319.468 3.257 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246539472 1104583910 /nfs/dbraw/zinc/58/39/10/1104583910.db2.gz PTRMUBUVNLYXGU-ZWKOTPCHSA-N 2 1 319.468 3.114 20 0 DGADMP Cc1ccccc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246542684 1104585181 /nfs/dbraw/zinc/58/51/81/1104585181.db2.gz XCVODJCCNJJILP-PKOBYXMFSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C[C@H]1C[NH3+] ZINC001246542525 1104585420 /nfs/dbraw/zinc/58/54/20/1104585420.db2.gz QCMITUXBWJOYBD-SUHUHFCYSA-N 2 1 313.272 3.377 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001246546456 1104588618 /nfs/dbraw/zinc/58/86/18/1104588618.db2.gz MXYIOCQEAHZJSJ-AWEZNQCLSA-N 2 1 307.869 3.122 20 0 DGADMP C[C@]1([NH3+])CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553392 1104589948 /nfs/dbraw/zinc/58/99/48/1104589948.db2.gz RKDZFFNEMZERSM-PMACEKPBSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553392 1104589961 /nfs/dbraw/zinc/58/99/61/1104589961.db2.gz RKDZFFNEMZERSM-PMACEKPBSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553392 1104589970 /nfs/dbraw/zinc/58/99/70/1104589970.db2.gz RKDZFFNEMZERSM-PMACEKPBSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001246553392 1104589980 /nfs/dbraw/zinc/58/99/80/1104589980.db2.gz RKDZFFNEMZERSM-PMACEKPBSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553392 1104589987 /nfs/dbraw/zinc/58/99/87/1104589987.db2.gz RKDZFFNEMZERSM-PMACEKPBSA-N 3 1 315.505 3.244 20 0 DGADMP COc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246552670 1104590959 /nfs/dbraw/zinc/59/09/59/1104590959.db2.gz YWACIXHZDYMATQ-AEFFLSMTSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246552670 1104590965 /nfs/dbraw/zinc/59/09/65/1104590965.db2.gz YWACIXHZDYMATQ-AEFFLSMTSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246549651 1104591225 /nfs/dbraw/zinc/59/12/25/1104591225.db2.gz HPXSCTPYKFPPIU-FUHWJXTLSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246549651 1104591230 /nfs/dbraw/zinc/59/12/30/1104591230.db2.gz HPXSCTPYKFPPIU-FUHWJXTLSA-N 2 1 302.462 3.220 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC001246553705 1104593317 /nfs/dbraw/zinc/59/33/17/1104593317.db2.gz UFOYIXAQSXMJBD-YUKKFIBKSA-N 2 1 316.489 3.431 20 0 DGADMP C[C@@H]1C[N@H+](C2CCN(c3cccc(F)c3)CC2)CCC[C@H]1C[NH3+] ZINC001246559521 1104594931 /nfs/dbraw/zinc/59/49/31/1104594931.db2.gz BBMHNDJYOHOLMK-CVEARBPZSA-N 2 1 319.468 3.101 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001246563572 1104597103 /nfs/dbraw/zinc/59/71/03/1104597103.db2.gz XHMGTMHKFOKOPZ-RYRKJORJSA-N 2 1 304.478 3.323 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001246563945 1104597141 /nfs/dbraw/zinc/59/71/41/1104597141.db2.gz DLVPCLCGBPJMCV-NXWXRZEISA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CN1Cc1ccccc1 ZINC001246572053 1104599980 /nfs/dbraw/zinc/59/99/80/1104599980.db2.gz CVMVJYIKTGNBGV-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccccc2Cl)CC1 ZINC001246567749 1104600332 /nfs/dbraw/zinc/60/03/32/1104600332.db2.gz XQPYFTPTFWRDHQ-LSDHHAIUSA-N 2 1 321.896 3.368 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001275061895 1104600518 /nfs/dbraw/zinc/60/05/18/1104600518.db2.gz MRJZAXAQFYODIA-QGZVFWFLSA-N 2 1 318.509 3.237 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246578417 1104603556 /nfs/dbraw/zinc/60/35/56/1104603556.db2.gz QYDMKZFUPSFOGZ-VQIMIIECSA-N 2 1 318.461 3.187 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246581832 1104603980 /nfs/dbraw/zinc/60/39/80/1104603980.db2.gz AYRFQDNAVXOZAA-SJORKVTESA-N 2 1 312.498 3.351 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCCC[C@H](C[NH3+])C1)CC2 ZINC001246582070 1104604045 /nfs/dbraw/zinc/60/40/45/1104604045.db2.gz MITWPBHCYBCRDA-KGLIPLIRSA-N 2 1 322.880 3.267 20 0 DGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(Cc3cc(C)nn3C)C2)C1 ZINC001275066498 1104605106 /nfs/dbraw/zinc/60/51/06/1104605106.db2.gz XCCWCIHCQSPFHM-QFBILLFUSA-N 2 1 318.509 3.063 20 0 DGADMP CC(C)[N@@H+]([C@H]1COc2ccc(Cl)cc2C1)[C@@H]1CCC[NH2+]CC1 ZINC001246591826 1104609634 /nfs/dbraw/zinc/60/96/34/1104609634.db2.gz JNDYLHBWMUTLEJ-IAGOWNOFSA-N 2 1 322.880 3.496 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246591661 1104609822 /nfs/dbraw/zinc/60/98/22/1104609822.db2.gz NLHUZDGIKFZCBH-LXTVHRRPSA-N 2 1 322.415 3.075 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275074307 1104609963 /nfs/dbraw/zinc/60/99/63/1104609963.db2.gz QKBVXZLUWJBQFJ-SJLPKXTDSA-N 2 1 304.482 3.134 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598000 1104614191 /nfs/dbraw/zinc/61/41/91/1104614191.db2.gz YNQVPHVVCTYZAW-GOSISDBHSA-N 2 1 307.526 3.107 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598000 1104614196 /nfs/dbraw/zinc/61/41/96/1104614196.db2.gz YNQVPHVVCTYZAW-GOSISDBHSA-N 3 1 307.526 3.107 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598000 1104614199 /nfs/dbraw/zinc/61/41/99/1104614199.db2.gz YNQVPHVVCTYZAW-GOSISDBHSA-N 3 1 307.526 3.107 20 0 DGADMP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCOC3(CC[NH2+]CC3)C1)C2 ZINC001246602046 1104617854 /nfs/dbraw/zinc/61/78/54/1104617854.db2.gz IIHHGAVHHPKHQU-QGZVFWFLSA-N 2 1 306.494 3.334 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN[C@H](Cc2ccccc2)C1 ZINC001246602800 1104619594 /nfs/dbraw/zinc/61/95/94/1104619594.db2.gz PQKSKUHHNOTBMW-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246602800 1104619595 /nfs/dbraw/zinc/61/95/95/1104619595.db2.gz PQKSKUHHNOTBMW-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246606105 1104622285 /nfs/dbraw/zinc/62/22/85/1104622285.db2.gz LXZWPPXBTWOPPP-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001275096311 1104622636 /nfs/dbraw/zinc/62/26/36/1104622636.db2.gz CBWZHEVJULMSSW-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]CC3)CO2 ZINC001246607941 1104624127 /nfs/dbraw/zinc/62/41/27/1104624127.db2.gz RYDXVVDRLINAEW-SJLPKXTDSA-N 2 1 320.864 3.252 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CO2 ZINC001246607941 1104624131 /nfs/dbraw/zinc/62/41/31/1104624131.db2.gz RYDXVVDRLINAEW-SJLPKXTDSA-N 2 1 320.864 3.252 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609265 1104624700 /nfs/dbraw/zinc/62/47/00/1104624700.db2.gz MBRUSPBLEWULDM-PKOBYXMFSA-N 2 1 301.478 3.258 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246611325 1104625852 /nfs/dbraw/zinc/62/58/52/1104625852.db2.gz UMIAVRKZFGNWKG-OALUTQOASA-N 3 1 309.542 3.353 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246611325 1104625855 /nfs/dbraw/zinc/62/58/55/1104625855.db2.gz UMIAVRKZFGNWKG-OALUTQOASA-N 3 1 309.542 3.353 20 0 DGADMP C1CCC2(CC1)CCC[C@H]([N@H+]1CCO[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246614423 1104628718 /nfs/dbraw/zinc/62/87/18/1104628718.db2.gz BAIWJUULIVQTRV-HKUYNNGSSA-N 2 1 306.494 3.334 20 0 DGADMP c1ccc(C2CCC([N@H+]3CCO[C@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246616298 1104629825 /nfs/dbraw/zinc/62/98/25/1104629825.db2.gz GYSWWMUHGXTCTJ-MHJFOBGBSA-N 2 1 314.473 3.167 20 0 DGADMP c1ccc(C2CCC([N@@H+]3CCO[C@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246616298 1104629827 /nfs/dbraw/zinc/62/98/27/1104629827.db2.gz GYSWWMUHGXTCTJ-MHJFOBGBSA-N 2 1 314.473 3.167 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CCC3(C[NH2+]C3)C1)CC2 ZINC001246628981 1104636251 /nfs/dbraw/zinc/63/62/51/1104636251.db2.gz FFQDSTGYOPYTCL-CYBMUJFWSA-N 2 1 311.256 3.146 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CCC3(C[NH2+]C3)C1)CC2 ZINC001246628981 1104636260 /nfs/dbraw/zinc/63/62/60/1104636260.db2.gz FFQDSTGYOPYTCL-CYBMUJFWSA-N 2 1 311.256 3.146 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246630458 1104637076 /nfs/dbraw/zinc/63/70/76/1104637076.db2.gz OWJREHFFSZLCHS-SCLBCKFNSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246630458 1104637080 /nfs/dbraw/zinc/63/70/80/1104637080.db2.gz OWJREHFFSZLCHS-SCLBCKFNSA-N 2 1 324.390 3.037 20 0 DGADMP CCCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275125990 1104637221 /nfs/dbraw/zinc/63/72/21/1104637221.db2.gz OZBDSJDWXIOENT-HDICACEKSA-N 2 1 304.482 3.134 20 0 DGADMP CCCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275125990 1104637224 /nfs/dbraw/zinc/63/72/24/1104637224.db2.gz OZBDSJDWXIOENT-HDICACEKSA-N 2 1 304.482 3.134 20 0 DGADMP CCCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275125990 1104637229 /nfs/dbraw/zinc/63/72/29/1104637229.db2.gz OZBDSJDWXIOENT-HDICACEKSA-N 2 1 304.482 3.134 20 0 DGADMP CCCCCC[NH+]1CCC2(C[NH+](Cc3cc(C)nn3C)C2)CC1 ZINC001275126535 1104638009 /nfs/dbraw/zinc/63/80/09/1104638009.db2.gz KRMUSUNEUFTSRD-UHFFFAOYSA-N 2 1 318.509 3.207 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246636732 1104640842 /nfs/dbraw/zinc/64/08/42/1104640842.db2.gz WRSKFKGSVFFBAR-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCCCC13CC[NH2+]CC3)CC2 ZINC001246645482 1104643664 /nfs/dbraw/zinc/64/36/64/1104643664.db2.gz BNIZZABDOVUUHQ-MRXNPFEDSA-N 2 1 320.427 3.430 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC13CC[NH2+]CC3)C2 ZINC001246645445 1104643879 /nfs/dbraw/zinc/64/38/79/1104643879.db2.gz MOWXZXPMDATMCX-QGZVFWFLSA-N 2 1 304.865 3.415 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278460094 1104647329 /nfs/dbraw/zinc/64/73/29/1104647329.db2.gz PXSAPIJNKLKBRV-SCTDSRPQSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650402 1104647712 /nfs/dbraw/zinc/64/77/12/1104647712.db2.gz HSYRHAMTNAWJMA-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650402 1104647716 /nfs/dbraw/zinc/64/77/16/1104647716.db2.gz HSYRHAMTNAWJMA-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246657769 1104651166 /nfs/dbraw/zinc/65/11/66/1104651166.db2.gz IMFROQYCMLCEPW-XNRPHZJLSA-N 2 1 312.379 3.320 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246662964 1104653051 /nfs/dbraw/zinc/65/30/51/1104653051.db2.gz BYNAYZMZFDPYJO-IACUBPJLSA-N 2 1 313.272 3.466 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246662964 1104653053 /nfs/dbraw/zinc/65/30/53/1104653053.db2.gz BYNAYZMZFDPYJO-IACUBPJLSA-N 2 1 313.272 3.466 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C1CCC(OCc3ccccc3)CC1)C2 ZINC001246666813 1104654550 /nfs/dbraw/zinc/65/45/50/1104654550.db2.gz RVDQGSVVEXPHPX-YNIZLOQISA-N 2 1 314.473 3.328 20 0 DGADMP CSCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246672130 1104656051 /nfs/dbraw/zinc/65/60/51/1104656051.db2.gz JYDQXXMSIXQYNH-QXAKKESOSA-N 2 1 318.530 3.381 20 0 DGADMP COC(=O)CCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001275158792 1104656473 /nfs/dbraw/zinc/65/64/73/1104656473.db2.gz QUTRTJFLCYHZOO-UHFFFAOYSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](C)CCCC(C)C)C[C@@H]1CC[NH2+]CC2 ZINC001246675931 1104657047 /nfs/dbraw/zinc/65/70/47/1104657047.db2.gz BNXGSWAEQLLACL-LNLFQRSKSA-N 2 1 324.509 3.066 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246676879 1104657201 /nfs/dbraw/zinc/65/72/01/1104657201.db2.gz DLIMFXBIAXZMMB-KBAYOESNSA-N 2 1 304.453 3.468 20 0 DGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679091 1104658876 /nfs/dbraw/zinc/65/88/76/1104658876.db2.gz RYHMSCZNWVLHDN-BPQIPLTHSA-N 2 1 304.453 3.468 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246679322 1104659059 /nfs/dbraw/zinc/65/90/59/1104659059.db2.gz UMBHMKYVEVRMSV-INDMIFKZSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246679512 1104660537 /nfs/dbraw/zinc/66/05/37/1104660537.db2.gz QBKMXYAZQGEKAW-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001246691697 1104662508 /nfs/dbraw/zinc/66/25/08/1104662508.db2.gz MBRYVTWXNIQVEA-BMGDILEWSA-N 2 1 322.855 3.221 20 0 DGADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275172854 1104665108 /nfs/dbraw/zinc/66/51/08/1104665108.db2.gz XFUKHZZZAXMKND-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCOC1)[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275172854 1104665113 /nfs/dbraw/zinc/66/51/13/1104665113.db2.gz XFUKHZZZAXMKND-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCOC1)[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275172854 1104665116 /nfs/dbraw/zinc/66/51/16/1104665116.db2.gz XFUKHZZZAXMKND-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001246712762 1104665548 /nfs/dbraw/zinc/66/55/48/1104665548.db2.gz BVTFBIJINRNDJZ-WDSOQIARSA-N 2 1 302.462 3.023 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246780150 1104670124 /nfs/dbraw/zinc/67/01/24/1104670124.db2.gz AKUCUMJFPGRHAE-HSALFYBXSA-N 2 1 316.489 3.241 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246783781 1104672054 /nfs/dbraw/zinc/67/20/54/1104672054.db2.gz VBCFWPNSGCBQAL-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246785602 1104673231 /nfs/dbraw/zinc/67/32/31/1104673231.db2.gz KROQFMLSGKVMCH-SXLOBPIMSA-N 2 1 314.473 3.452 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC[NH2+]1 ZINC001246784513 1104673419 /nfs/dbraw/zinc/67/34/19/1104673419.db2.gz XQLSLGSIRAFMMQ-BRWVUGGUSA-N 2 1 318.461 3.069 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246787554 1104675369 /nfs/dbraw/zinc/67/53/69/1104675369.db2.gz RJMMCGRADHBPRU-CUYAVPTFSA-N 2 1 318.436 3.201 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789207 1104676077 /nfs/dbraw/zinc/67/60/77/1104676077.db2.gz UNCQQJSBZVDMKU-IAGOWNOFSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789207 1104676082 /nfs/dbraw/zinc/67/60/82/1104676082.db2.gz UNCQQJSBZVDMKU-IAGOWNOFSA-N 2 1 320.477 3.446 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001246792599 1104678207 /nfs/dbraw/zinc/67/82/07/1104678207.db2.gz AJPHBJCDUDSPPL-JSGCOSHPSA-N 2 1 300.368 3.493 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246799418 1104680576 /nfs/dbraw/zinc/68/05/76/1104680576.db2.gz ULCREYMOELVIEN-INIZCTEOSA-N 2 1 308.416 3.144 20 0 DGADMP Cc1cncc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)n1 ZINC001275223610 1104682204 /nfs/dbraw/zinc/68/22/04/1104682204.db2.gz SMGWPZBVSCJRBD-RBUKOAKNSA-N 2 1 314.477 3.252 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246810994 1104685273 /nfs/dbraw/zinc/68/52/73/1104685273.db2.gz PMFNUSLJJJAXTA-QRVBRYPASA-N 2 1 316.489 3.239 20 0 DGADMP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246813027 1104686764 /nfs/dbraw/zinc/68/67/64/1104686764.db2.gz YESZJIBRQNBOOG-LLVKDONJSA-N 2 1 317.285 3.273 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246813342 1104687333 /nfs/dbraw/zinc/68/73/33/1104687333.db2.gz IIVFQOOAIRFHRP-VXGBXAGGSA-N 2 1 301.261 3.466 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246815653 1104690174 /nfs/dbraw/zinc/69/01/74/1104690174.db2.gz ZUHDIYMKGFOWCT-IEBWSBKVSA-N 2 1 302.462 3.092 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001246822517 1104691722 /nfs/dbraw/zinc/69/17/22/1104691722.db2.gz BLUWHKACSVAEQX-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246822517 1104691723 /nfs/dbraw/zinc/69/17/23/1104691723.db2.gz BLUWHKACSVAEQX-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820572 1104692018 /nfs/dbraw/zinc/69/20/18/1104692018.db2.gz HWYMOYHHHATFRQ-IVMMDQJWSA-N 2 1 323.278 3.379 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246833868 1104696128 /nfs/dbraw/zinc/69/61/28/1104696128.db2.gz QHYYIKSVBMVPDO-OCCSQVGLSA-N 2 1 311.267 3.193 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246840119 1104699647 /nfs/dbraw/zinc/69/96/47/1104699647.db2.gz FFHGINPYMLZLKM-AABGKKOBSA-N 2 1 316.489 3.444 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246838455 1104699704 /nfs/dbraw/zinc/69/97/04/1104699704.db2.gz CAJMTBKKMMSZQY-NVXWUHKLSA-N 2 1 320.477 3.063 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)C[C@H]1CCC[NH2+]C1)CC2 ZINC001246839017 1104700173 /nfs/dbraw/zinc/70/01/73/1104700173.db2.gz AFDPBOQWDXNEJC-KBPBESRZSA-N 2 1 322.880 3.137 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001246841263 1104701909 /nfs/dbraw/zinc/70/19/09/1104701909.db2.gz AFQQAXOLRTXFIC-ABHNRTSZSA-N 2 1 322.880 3.418 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246842343 1104702063 /nfs/dbraw/zinc/70/20/63/1104702063.db2.gz PIJLEYOQCOJJOK-OALUTQOASA-N 2 1 314.473 3.342 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246842101 1104702757 /nfs/dbraw/zinc/70/27/57/1104702757.db2.gz ARDXFNXECRJRFZ-BNOWGMLFSA-N 2 1 313.272 3.466 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246842098 1104703715 /nfs/dbraw/zinc/70/37/15/1104703715.db2.gz AQGAXCWXTZHVHW-SFHVURJKSA-N 2 1 316.489 3.241 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246842098 1104703724 /nfs/dbraw/zinc/70/37/24/1104703724.db2.gz AQGAXCWXTZHVHW-SFHVURJKSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246842440 1104703958 /nfs/dbraw/zinc/70/39/58/1104703958.db2.gz SBWVGKNANPZLMA-ZIEJDFEHSA-N 2 1 323.278 3.049 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246842440 1104703966 /nfs/dbraw/zinc/70/39/66/1104703966.db2.gz SBWVGKNANPZLMA-ZIEJDFEHSA-N 2 1 323.278 3.049 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c(C)c1 ZINC001246851515 1104706327 /nfs/dbraw/zinc/70/63/27/1104706327.db2.gz KPJOZMWIRPOHOJ-MOPGFXCFSA-N 2 1 315.505 3.202 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246849869 1104707917 /nfs/dbraw/zinc/70/79/17/1104707917.db2.gz GKLRCCHZPANMMH-KPEUIFRASA-N 2 1 320.864 3.181 20 0 DGADMP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246855122 1104708184 /nfs/dbraw/zinc/70/81/84/1104708184.db2.gz TXOWEKPPWSIKMS-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857041 1104711309 /nfs/dbraw/zinc/71/13/09/1104711309.db2.gz ZHVCRYCZGBYGAN-WWGRRREGSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857041 1104711313 /nfs/dbraw/zinc/71/13/13/1104711313.db2.gz ZHVCRYCZGBYGAN-WWGRRREGSA-N 2 1 311.256 3.274 20 0 DGADMP CCCCCC[C@H](CCC)[NH+]1CCC([C@@H]([NH3+])C(=O)OC)CC1 ZINC001246866444 1104712430 /nfs/dbraw/zinc/71/24/30/1104712430.db2.gz CQUTWWMNFZDUEI-DLBZAZTESA-N 2 1 312.498 3.338 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874970 1104715907 /nfs/dbraw/zinc/71/59/07/1104715907.db2.gz LNYFQPNVTUFFNX-QZTJIDSGSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874970 1104715915 /nfs/dbraw/zinc/71/59/15/1104715915.db2.gz LNYFQPNVTUFFNX-QZTJIDSGSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874971 1104716253 /nfs/dbraw/zinc/71/62/53/1104716253.db2.gz LNYFQPNVTUFFNX-ROUUACIJSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874971 1104716260 /nfs/dbraw/zinc/71/62/60/1104716260.db2.gz LNYFQPNVTUFFNX-ROUUACIJSA-N 2 1 318.461 3.216 20 0 DGADMP CCCCCC1CCC([N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)CC1 ZINC001246871912 1104716764 /nfs/dbraw/zinc/71/67/64/1104716764.db2.gz OTNUDQMDBVQLNO-UUKMXZOPSA-N 2 1 321.553 3.480 20 0 DGADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246875412 1104716902 /nfs/dbraw/zinc/71/69/02/1104716902.db2.gz VKEVEUGCONBGPI-RBUKOAKNSA-N 2 1 309.542 3.480 20 0 DGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246876177 1104717681 /nfs/dbraw/zinc/71/76/81/1104717681.db2.gz QUIGTCIXKCWCKK-XYPWUTKMSA-N 2 1 310.363 3.347 20 0 DGADMP FC(F)(F)c1ccc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246876177 1104717690 /nfs/dbraw/zinc/71/76/90/1104717690.db2.gz QUIGTCIXKCWCKK-XYPWUTKMSA-N 2 1 310.363 3.347 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246879185 1104717782 /nfs/dbraw/zinc/71/77/82/1104717782.db2.gz MUYBLVOCLZPICS-NEPXVJNWSA-N 2 1 318.436 3.181 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246879185 1104717790 /nfs/dbraw/zinc/71/77/90/1104717790.db2.gz MUYBLVOCLZPICS-NEPXVJNWSA-N 2 1 318.436 3.181 20 0 DGADMP CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246879687 1104717847 /nfs/dbraw/zinc/71/78/47/1104717847.db2.gz CEGPTMAHZRLGRU-IKGGRYGDSA-N 2 1 317.477 3.175 20 0 DGADMP CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246879687 1104717852 /nfs/dbraw/zinc/71/78/52/1104717852.db2.gz CEGPTMAHZRLGRU-IKGGRYGDSA-N 2 1 317.477 3.175 20 0 DGADMP Nc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246877465 1104718020 /nfs/dbraw/zinc/71/80/20/1104718020.db2.gz BHUFKIQRUGBTCS-WOJBJXKFSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246877465 1104718027 /nfs/dbraw/zinc/71/80/27/1104718027.db2.gz BHUFKIQRUGBTCS-WOJBJXKFSA-N 2 1 307.441 3.120 20 0 DGADMP CC[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246879391 1104718148 /nfs/dbraw/zinc/71/81/48/1104718148.db2.gz NAAZGYBBQHWTRY-LLVKDONJSA-N 2 1 314.857 3.149 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246881258 1104720344 /nfs/dbraw/zinc/72/03/44/1104720344.db2.gz LWQGDXIPZIOBCM-BZUAXINKSA-N 2 1 324.509 3.492 20 0 DGADMP C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001246879941 1104720356 /nfs/dbraw/zinc/72/03/56/1104720356.db2.gz YMNIUQNUXDWRCS-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246883051 1104720866 /nfs/dbraw/zinc/72/08/66/1104720866.db2.gz UDBLVFFAHMSNDG-FCEWJHQRSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)ccc2c1 ZINC001246882544 1104721226 /nfs/dbraw/zinc/72/12/26/1104721226.db2.gz RZLVCBITIDAFEM-SXGZJXTBSA-N 2 1 312.457 3.449 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001246885087 1104723302 /nfs/dbraw/zinc/72/33/02/1104723302.db2.gz LNLUGRQQDLTRNU-HOTGVXAUSA-N 2 1 309.523 3.205 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCNC[C@H]1c1cccs1 ZINC001246885087 1104723306 /nfs/dbraw/zinc/72/33/06/1104723306.db2.gz LNLUGRQQDLTRNU-HOTGVXAUSA-N 2 1 309.523 3.205 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001246885088 1104723560 /nfs/dbraw/zinc/72/35/60/1104723560.db2.gz LNLUGRQQDLTRNU-HZPDHXFCSA-N 2 1 309.523 3.205 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001246885088 1104723564 /nfs/dbraw/zinc/72/35/64/1104723564.db2.gz LNLUGRQQDLTRNU-HZPDHXFCSA-N 2 1 309.523 3.205 20 0 DGADMP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246890114 1104726168 /nfs/dbraw/zinc/72/61/68/1104726168.db2.gz SBMXXZGLDUOKAR-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001246890750 1104726337 /nfs/dbraw/zinc/72/63/37/1104726337.db2.gz LKDHIVADAIZRHY-MRXNPFEDSA-N 2 1 303.494 3.104 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246895316 1104727421 /nfs/dbraw/zinc/72/74/21/1104727421.db2.gz UXIXEUMYRRSJPE-CEXWTWQISA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@@H+](Cc1cccc(Cl)c1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246900308 1104728416 /nfs/dbraw/zinc/72/84/16/1104728416.db2.gz HVBUNQLGCBBIHO-UHFFFAOYSA-N 2 1 322.880 3.463 20 0 DGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001246906404 1104729646 /nfs/dbraw/zinc/72/96/46/1104729646.db2.gz BIIYCFREMWMZOM-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP Nc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246907393 1104731929 /nfs/dbraw/zinc/73/19/29/1104731929.db2.gz VCDFCPBJKUADGW-PMACEKPBSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246907393 1104731936 /nfs/dbraw/zinc/73/19/36/1104731936.db2.gz VCDFCPBJKUADGW-PMACEKPBSA-N 2 1 307.441 3.120 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246909198 1104732803 /nfs/dbraw/zinc/73/28/03/1104732803.db2.gz FIYUENGHIUYPMZ-KBAYOESNSA-N 2 1 320.452 3.446 20 0 DGADMP CN([C@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246918593 1104737286 /nfs/dbraw/zinc/73/72/86/1104737286.db2.gz LHXAEEHTBRZFRC-AQNXPRMDSA-N 2 1 315.505 3.243 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246918800 1104737535 /nfs/dbraw/zinc/73/75/35/1104737535.db2.gz QJHJVTJRVDDERD-PIIMJCKOSA-N 2 1 316.445 3.098 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246918800 1104737539 /nfs/dbraw/zinc/73/75/39/1104737539.db2.gz QJHJVTJRVDDERD-PIIMJCKOSA-N 2 1 316.445 3.098 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](CCCCCCO)Cc2ccccc2)CC[NH2+]1 ZINC001246925235 1104740006 /nfs/dbraw/zinc/74/00/06/1104740006.db2.gz LSXITCHBRCYHEN-MJGOQNOKSA-N 2 1 304.478 3.182 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246930592 1104741273 /nfs/dbraw/zinc/74/12/73/1104741273.db2.gz UZHDTIZVPYRAQH-KZNAEPCWSA-N 2 1 302.462 3.405 20 0 DGADMP COCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246930226 1104741648 /nfs/dbraw/zinc/74/16/48/1104741648.db2.gz SVBKOZCSSVUPNT-SLFFLAALSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246930226 1104741650 /nfs/dbraw/zinc/74/16/50/1104741650.db2.gz SVBKOZCSSVUPNT-SLFFLAALSA-N 2 1 316.489 3.413 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)c1 ZINC001246928525 1104741843 /nfs/dbraw/zinc/74/18/43/1104741843.db2.gz LAHSTDIGRNVUDN-KRWDZBQOSA-N 2 1 314.473 3.407 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246934010 1104742544 /nfs/dbraw/zinc/74/25/44/1104742544.db2.gz MUDYEASICBYWHB-QHGAOEGBSA-N 3 1 319.537 3.153 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933772 1104743180 /nfs/dbraw/zinc/74/31/80/1104743180.db2.gz KRODNIBCQPILFX-MJGOQNOKSA-N 3 1 319.537 3.153 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246935046 1104743508 /nfs/dbraw/zinc/74/35/08/1104743508.db2.gz PZRPKUXDRFVKDJ-MSOLQXFVSA-N 2 1 320.452 3.337 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246939126 1104745008 /nfs/dbraw/zinc/74/50/08/1104745008.db2.gz BIWWNMVLICEQRS-WSTZPKSXSA-N 2 1 314.473 3.407 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941520 1104746007 /nfs/dbraw/zinc/74/60/07/1104746007.db2.gz ZIMIDQOJMOPAFG-NEWSRXKRSA-N 3 1 321.553 3.397 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N(C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941520 1104746014 /nfs/dbraw/zinc/74/60/14/1104746014.db2.gz ZIMIDQOJMOPAFG-NEWSRXKRSA-N 2 1 321.553 3.397 20 0 DGADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001246945318 1104747510 /nfs/dbraw/zinc/74/75/10/1104747510.db2.gz LAANCAXIMCVZMM-GBESFXJTSA-N 2 1 306.494 3.190 20 0 DGADMP CCOCC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246948869 1104747999 /nfs/dbraw/zinc/74/79/99/1104747999.db2.gz GGROEZXFTWKYQN-HNNXBMFYSA-N 2 1 324.896 3.362 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)CCC2 ZINC001246947125 1104748248 /nfs/dbraw/zinc/74/82/48/1104748248.db2.gz VUBCOUOPBAQBPF-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246948761 1104748401 /nfs/dbraw/zinc/74/84/01/1104748401.db2.gz LHRBMCMLPNWPDS-IZZQQSIFSA-N 2 1 319.468 3.257 20 0 DGADMP CC(C)C[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCCNC1 ZINC001246951686 1104749684 /nfs/dbraw/zinc/74/96/84/1104749684.db2.gz FNSSOEPGRMVXJZ-GOSISDBHSA-N 2 1 307.526 3.009 20 0 DGADMP CCSC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246951083 1104750243 /nfs/dbraw/zinc/75/02/43/1104750243.db2.gz HWTQFIBUUJFVJJ-OAHLLOKOSA-N 2 1 322.518 3.391 20 0 DGADMP COc1ccc(C[N@@H+]([C@@H]2CC[C@@H](C)C2)C2CC[NH2+]CC2)cc1 ZINC001246953406 1104750777 /nfs/dbraw/zinc/75/07/77/1104750777.db2.gz NOKNRWBAKJQBAO-CRAIPNDOSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246953217 1104750863 /nfs/dbraw/zinc/75/08/63/1104750863.db2.gz APLRXPGLTBHSDT-KRWDZBQOSA-N 2 1 308.466 3.194 20 0 DGADMP CCOCC[N@@H+]([C@H](C)Cc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246952122 1104750925 /nfs/dbraw/zinc/75/09/25/1104750925.db2.gz YHUBEVAVRCCFHQ-QGZVFWFLSA-N 2 1 304.478 3.017 20 0 DGADMP CC(C)(C)C[N@@H+]([C@@H]1Cc2cccc(F)c2C1)C1CC[NH2+]CC1 ZINC001246952564 1104751455 /nfs/dbraw/zinc/75/14/55/1104751455.db2.gz ZRWOCXMDSIBQMA-MRXNPFEDSA-N 2 1 304.453 3.393 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246961812 1104752029 /nfs/dbraw/zinc/75/20/29/1104752029.db2.gz AYSHVSKJJZXXOB-KURKYZTESA-N 2 1 317.477 3.010 20 0 DGADMP CC(C)[C@H]1C[C@@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246962222 1104752912 /nfs/dbraw/zinc/75/29/12/1104752912.db2.gz AXTQZABUPGSQRR-CADBVGFASA-N 3 1 307.526 3.135 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC[NH2+]1 ZINC001246965292 1104754021 /nfs/dbraw/zinc/75/40/21/1104754021.db2.gz GYJZWQIFQIVRBH-KZNAEPCWSA-N 2 1 317.477 3.154 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)C[C@H](CC)[NH2+]1 ZINC001246964819 1104754038 /nfs/dbraw/zinc/75/40/38/1104754038.db2.gz FNCWGKSFCZEXCO-VSZNYVQBSA-N 2 1 317.477 3.152 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246965826 1104754405 /nfs/dbraw/zinc/75/44/05/1104754405.db2.gz RDOBCALXOYVPGO-QOFQOLBTSA-N 3 1 305.510 3.032 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246974737 1104757841 /nfs/dbraw/zinc/75/78/41/1104757841.db2.gz RPLVJOZGCYNMRA-BRWVUGGUSA-N 2 1 317.477 3.010 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccncc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975495 1104758219 /nfs/dbraw/zinc/75/82/19/1104758219.db2.gz UHTUAUZMERMLCO-VSZNYVQBSA-N 2 1 317.477 3.152 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCN(C)C2)c1 ZINC001246976100 1104758519 /nfs/dbraw/zinc/75/85/19/1104758519.db2.gz VICFBNSUQGLLNL-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246978916 1104760022 /nfs/dbraw/zinc/76/00/22/1104760022.db2.gz KBISTVNKHSIMQJ-QXAKKESOSA-N 2 1 318.436 3.201 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246981382 1104760966 /nfs/dbraw/zinc/76/09/66/1104760966.db2.gz VLTBSMGPBHYCKZ-NJAFHUGGSA-N 2 1 320.452 3.446 20 0 DGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246980231 1104761272 /nfs/dbraw/zinc/76/12/72/1104761272.db2.gz QRHGMSAXLRRUBO-MSOLQXFVSA-N 2 1 316.514 3.179 20 0 DGADMP C1CC([N@H+](C2CC[NH2+]CC2)[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246979683 1104761283 /nfs/dbraw/zinc/76/12/83/1104761283.db2.gz ZHKHNBGALQXHTB-GOSISDBHSA-N 3 1 305.510 3.048 20 0 DGADMP C1CC([N@@H+](C2CC[NH2+]CC2)[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246979683 1104761286 /nfs/dbraw/zinc/76/12/86/1104761286.db2.gz ZHKHNBGALQXHTB-GOSISDBHSA-N 3 1 305.510 3.048 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246980569 1104761481 /nfs/dbraw/zinc/76/14/81/1104761481.db2.gz SDCKBUNAXVFXKG-CVEARBPZSA-N 2 1 304.434 3.014 20 0 DGADMP C[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)[C@@H](c2ccccc2)CO1 ZINC001246979223 1104761510 /nfs/dbraw/zinc/76/15/10/1104761510.db2.gz XOZAMLIHJHCTOA-OXHPOLQJSA-N 2 1 314.473 3.371 20 0 DGADMP CN(C)CC[N@H+](C1CC[NH2+]CC1)C1CCC2(CCCC2)CC1 ZINC001246984091 1104762436 /nfs/dbraw/zinc/76/24/36/1104762436.db2.gz HOYMEAMZWUHBPP-UHFFFAOYSA-N 2 1 307.526 3.105 20 0 DGADMP CN(C)CC[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCCC2)CC1 ZINC001246984091 1104762438 /nfs/dbraw/zinc/76/24/38/1104762438.db2.gz HOYMEAMZWUHBPP-UHFFFAOYSA-N 2 1 307.526 3.105 20 0 DGADMP CC[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246982532 1104762931 /nfs/dbraw/zinc/76/29/31/1104762931.db2.gz XPFXTASFWKQZMR-VNTMZGSJSA-N 2 1 315.505 3.241 20 0 DGADMP FC1(F)C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC[C@@H]1Cc1ccccc1 ZINC001246989377 1104765638 /nfs/dbraw/zinc/76/56/38/1104765638.db2.gz RCVFYSPUTUNZKK-SJORKVTESA-N 2 1 320.427 3.328 20 0 DGADMP FC1(F)C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC[C@@H]1Cc1ccccc1 ZINC001246989377 1104765641 /nfs/dbraw/zinc/76/56/41/1104765641.db2.gz RCVFYSPUTUNZKK-SJORKVTESA-N 2 1 320.427 3.328 20 0 DGADMP [NH3+][C@@H]1C[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC12COC2 ZINC001246992915 1104766764 /nfs/dbraw/zinc/76/67/64/1104766764.db2.gz XEXRKGITYUSIAW-BDVYOWHSSA-N 2 1 320.864 3.026 20 0 DGADMP [NH3+][C@@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC12COC2 ZINC001246992915 1104766767 /nfs/dbraw/zinc/76/67/67/1104766767.db2.gz XEXRKGITYUSIAW-BDVYOWHSSA-N 2 1 320.864 3.026 20 0 DGADMP C[C@@H]1C(=O)CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001421 1104771134 /nfs/dbraw/zinc/77/11/34/1104771134.db2.gz IJZZADVBDUCGDL-INMHGKMJSA-N 2 1 306.494 3.377 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001421 1104771140 /nfs/dbraw/zinc/77/11/40/1104771140.db2.gz IJZZADVBDUCGDL-INMHGKMJSA-N 2 1 306.494 3.377 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247013663 1104778623 /nfs/dbraw/zinc/77/86/23/1104778623.db2.gz HPTKEODLZVXSII-KEYYUXOJSA-N 2 1 308.466 3.380 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC(C)C)cc1 ZINC001275687330 1104863022 /nfs/dbraw/zinc/86/30/22/1104863022.db2.gz DBBDCCHCFDXOEO-AYHJJNSGSA-N 2 1 302.462 3.436 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(C)C)cc1 ZINC001275687330 1104863032 /nfs/dbraw/zinc/86/30/32/1104863032.db2.gz DBBDCCHCFDXOEO-AYHJJNSGSA-N 2 1 302.462 3.436 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(OC)c3F)(C1)CCC2 ZINC001275828739 1104924822 /nfs/dbraw/zinc/92/48/22/1104924822.db2.gz HQMJAOZACFHDOY-DLBZAZTESA-N 2 1 310.388 3.128 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc2ccccc2c1 ZINC001275849818 1104931850 /nfs/dbraw/zinc/93/18/50/1104931850.db2.gz JMEPPHWULLCOGZ-SFTDATJTSA-N 2 1 323.484 3.050 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001247692213 1104958010 /nfs/dbraw/zinc/95/80/10/1104958010.db2.gz AZVVCCWRESLCHJ-NSHDSACASA-N 2 1 315.204 3.172 20 0 DGADMP COC(C)(C)CC[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276026963 1104991247 /nfs/dbraw/zinc/99/12/47/1104991247.db2.gz RMNCQHDCQZNJEP-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]1C ZINC001276033132 1104992613 /nfs/dbraw/zinc/99/26/13/1104992613.db2.gz QXPHKUZAAHGRSO-LCGOLDHJSA-N 2 1 305.491 3.193 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H]1C ZINC001276033132 1104992615 /nfs/dbraw/zinc/99/26/15/1104992615.db2.gz QXPHKUZAAHGRSO-LCGOLDHJSA-N 2 1 305.491 3.193 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]1C ZINC001276033134 1104992866 /nfs/dbraw/zinc/99/28/66/1104992866.db2.gz QXPHKUZAAHGRSO-UYVDRTLJSA-N 2 1 305.491 3.193 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@H]1C ZINC001276033134 1104992867 /nfs/dbraw/zinc/99/28/67/1104992867.db2.gz QXPHKUZAAHGRSO-UYVDRTLJSA-N 2 1 305.491 3.193 20 0 DGADMP c1ncc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)s1 ZINC001276059784 1105006913 /nfs/dbraw/zinc/00/69/13/1105006913.db2.gz PACPABPIVXZVIT-UHFFFAOYSA-N 2 1 305.491 3.374 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3cnc(Cl)cc13)CC2 ZINC001276236585 1105057607 /nfs/dbraw/zinc/05/76/07/1105057607.db2.gz NVFJITRJXAABOB-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cccc3occc32)no1 ZINC001248194230 1105066329 /nfs/dbraw/zinc/06/63/29/1105066329.db2.gz HGPQCLUFDKZCEI-AWEZNQCLSA-N 2 1 314.389 3.215 20 0 DGADMP C[N@@H+](C[C@@H](O)C(C)(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000720040303 1105066355 /nfs/dbraw/zinc/06/63/55/1105066355.db2.gz YUXPVNPXXLNLHQ-LJQANCHMSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)cncc3Cl)C[C@H]2CC1 ZINC001276283041 1105075827 /nfs/dbraw/zinc/07/58/27/1105075827.db2.gz SWNKOGWUACKUQF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)cncc3Cl)C[C@H]2CC1 ZINC001276283041 1105075832 /nfs/dbraw/zinc/07/58/32/1105075832.db2.gz SWNKOGWUACKUQF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)cncc3Cl)C[C@H]2CC1 ZINC001276283041 1105075837 /nfs/dbraw/zinc/07/58/37/1105075837.db2.gz SWNKOGWUACKUQF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccn(C)n3)cc2)CC1 ZINC001248766070 1105158537 /nfs/dbraw/zinc/15/85/37/1105158537.db2.gz BOBAVLXBXBBNMZ-UHFFFAOYSA-N 2 1 312.461 3.003 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccn(C)n3)cc2)CC1 ZINC001248766070 1105158539 /nfs/dbraw/zinc/15/85/39/1105158539.db2.gz BOBAVLXBXBBNMZ-UHFFFAOYSA-N 2 1 312.461 3.003 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)c4cc[nH]c43)C2)CC1 ZINC001248818094 1105170457 /nfs/dbraw/zinc/17/04/57/1105170457.db2.gz XINIGCVBNQXDDE-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP Cc1cc(Cl)cc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248896243 1105188927 /nfs/dbraw/zinc/18/89/27/1105188927.db2.gz NBXCEYRLHSIQKB-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP Cc1cc(Cl)ccc1-c1noc([C@H]([NH3+])CC2CC[NH2+]CC2)n1 ZINC001248895890 1105189116 /nfs/dbraw/zinc/18/91/16/1105189116.db2.gz JYJVHQVRNZYFEX-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)[nH]1 ZINC001137324226 1105486169 /nfs/dbraw/zinc/48/61/69/1105486169.db2.gz ORUZVRDLEYOQKA-HZPDHXFCSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)c1cc(C)ccc1F ZINC001251861490 1105702609 /nfs/dbraw/zinc/70/26/09/1105702609.db2.gz CARJDMIMHVZAEX-UHFFFAOYSA-N 2 1 310.332 3.276 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252108121 1105740720 /nfs/dbraw/zinc/74/07/20/1105740720.db2.gz KOHGVDMVZHIMPO-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252108121 1105740725 /nfs/dbraw/zinc/74/07/25/1105740725.db2.gz KOHGVDMVZHIMPO-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001252106817 1105741116 /nfs/dbraw/zinc/74/11/16/1105741116.db2.gz CAWNZKSFNRNDIS-FUMNGEBKSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC(C)(C)O)C[C@H]21 ZINC001252351445 1105769722 /nfs/dbraw/zinc/76/97/22/1105769722.db2.gz HLORGMFQCNIQPB-DJIMGWMZSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC(C)(C)O)C[C@H]21 ZINC001252351445 1105769727 /nfs/dbraw/zinc/76/97/27/1105769727.db2.gz HLORGMFQCNIQPB-DJIMGWMZSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC(C)(C)O)C[C@H]21 ZINC001252351445 1105769733 /nfs/dbraw/zinc/76/97/33/1105769733.db2.gz HLORGMFQCNIQPB-DJIMGWMZSA-N 2 1 322.518 3.051 20 0 DGADMP CC(C)(O)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001252355732 1105770678 /nfs/dbraw/zinc/77/06/78/1105770678.db2.gz LLMCZGRLXOCVSR-UHFFFAOYSA-N 2 1 316.489 3.136 20 0 DGADMP O[C@@]1(C[NH+]2CCCCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252934556 1105856975 /nfs/dbraw/zinc/85/69/75/1105856975.db2.gz VEZSUAFSLHQYDN-HXUWFJFHSA-N 2 1 316.489 3.280 20 0 DGADMP O[C@@]1(C[NH+]2CCCCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252934556 1105856982 /nfs/dbraw/zinc/85/69/82/1105856982.db2.gz VEZSUAFSLHQYDN-HXUWFJFHSA-N 2 1 316.489 3.280 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC001253203859 1105902495 /nfs/dbraw/zinc/90/24/95/1105902495.db2.gz XQZMJFGLTXQGGL-WBVHZDCISA-N 2 1 300.446 3.193 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+]C1(c2cccc3ccccc32)CC1 ZINC001253211955 1105903264 /nfs/dbraw/zinc/90/32/64/1105903264.db2.gz FUJNDKSBVGUDJE-QGZVFWFLSA-N 2 1 312.457 3.121 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccc(F)cc1 ZINC001253211102 1105903675 /nfs/dbraw/zinc/90/36/75/1105903675.db2.gz ATZTYULRKFFKAD-OALUTQOASA-N 2 1 322.468 3.349 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cc(Cl)cc(Cl)c1 ZINC001253406765 1105936374 /nfs/dbraw/zinc/93/63/74/1105936374.db2.gz VXGVJMOXSVCGLB-HZMBPMFUSA-N 2 1 319.276 3.393 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1cccc(F)c1 ZINC001253410066 1105936515 /nfs/dbraw/zinc/93/65/15/1105936515.db2.gz AOCWQAFJAJJJPI-ROUUACIJSA-N 2 1 322.468 3.396 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCCOC2)CC3)c1 ZINC001254381868 1106063336 /nfs/dbraw/zinc/06/33/36/1106063336.db2.gz YHIOSHYKXSDSJD-INIZCTEOSA-N 2 1 320.502 3.215 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(N3CCCCC3)c2)CC1 ZINC001254500841 1106082792 /nfs/dbraw/zinc/08/27/92/1106082792.db2.gz MCNKLQIGEWCNQJ-SFHVURJKSA-N 2 1 301.478 3.251 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001254499824 1106082863 /nfs/dbraw/zinc/08/28/63/1106082863.db2.gz BTGAGSIQFZQHFQ-QGZVFWFLSA-N 2 1 318.461 3.216 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001254499993 1106084183 /nfs/dbraw/zinc/08/41/83/1106084183.db2.gz RNABWKYYDUFSJB-FQEVSTJZSA-N 2 1 322.452 3.492 20 0 DGADMP C[N@H+]1CCC[C@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001254511731 1106086647 /nfs/dbraw/zinc/08/66/47/1106086647.db2.gz DQSQPWHBCUJWGK-KRWDZBQOSA-N 2 1 321.896 3.074 20 0 DGADMP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254517266 1106089688 /nfs/dbraw/zinc/08/96/88/1106089688.db2.gz SSFUVYJKCFMAJQ-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254517266 1106089693 /nfs/dbraw/zinc/08/96/93/1106089693.db2.gz SSFUVYJKCFMAJQ-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254517266 1106089698 /nfs/dbraw/zinc/08/96/98/1106089698.db2.gz SSFUVYJKCFMAJQ-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254517266 1106089703 /nfs/dbraw/zinc/08/97/03/1106089703.db2.gz SSFUVYJKCFMAJQ-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC001254523600 1106092346 /nfs/dbraw/zinc/09/23/46/1106092346.db2.gz PUSHHLQCTUZRMI-OAHLLOKOSA-N 2 1 324.415 3.292 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001254525745 1106093586 /nfs/dbraw/zinc/09/35/86/1106093586.db2.gz LUGQPTJQQJMBSI-QGZVFWFLSA-N 2 1 312.461 3.158 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CCC[NH+](C)CC1 ZINC001254533535 1106097025 /nfs/dbraw/zinc/09/70/25/1106097025.db2.gz MBLVLBAOWHZGLH-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CCC[N@H+](C)CC1 ZINC001254533535 1106097029 /nfs/dbraw/zinc/09/70/29/1106097029.db2.gz MBLVLBAOWHZGLH-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254533535 1106097035 /nfs/dbraw/zinc/09/70/35/1106097035.db2.gz MBLVLBAOWHZGLH-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCN(c2ccc(F)cc2)CC1 ZINC001254627976 1106115849 /nfs/dbraw/zinc/11/58/49/1106115849.db2.gz MMDAXJSWWJPRSC-UHFFFAOYSA-N 2 1 319.468 3.068 20 0 DGADMP [NH2+]=C(N[C@@H]1CC2CC[NH+](CC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001254837204 1106146136 /nfs/dbraw/zinc/14/61/36/1106146136.db2.gz SLDFXFQRVXBMMS-YMVOSSCXSA-N 2 1 301.478 3.254 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254843067 1106147254 /nfs/dbraw/zinc/14/72/54/1106147254.db2.gz FABCDYPTRJNTKL-BHIYHBOVSA-N 2 1 307.526 3.231 20 0 DGADMP CC(C)(C)C(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001254988891 1106163474 /nfs/dbraw/zinc/16/34/74/1106163474.db2.gz IKUJXAQESCHSPJ-ALOPSCKCSA-N 2 1 315.461 3.031 20 0 DGADMP CC(C)(C)C(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254988891 1106163477 /nfs/dbraw/zinc/16/34/77/1106163477.db2.gz IKUJXAQESCHSPJ-ALOPSCKCSA-N 2 1 315.461 3.031 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C1CCOCC1)CC2 ZINC001255039876 1106171733 /nfs/dbraw/zinc/17/17/33/1106171733.db2.gz YHKPJBCJECWIJQ-SFHVURJKSA-N 2 1 318.461 3.135 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CC[C@H]3C2)cc1 ZINC001255046054 1106172410 /nfs/dbraw/zinc/17/24/10/1106172410.db2.gz PIPYLLOIZREJAT-RBUKOAKNSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CC[C@H]3C2)cc1 ZINC001255046054 1106172412 /nfs/dbraw/zinc/17/24/12/1106172412.db2.gz PIPYLLOIZREJAT-RBUKOAKNSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CC[C@H]3C2)cc1 ZINC001255046054 1106172414 /nfs/dbraw/zinc/17/24/14/1106172414.db2.gz PIPYLLOIZREJAT-RBUKOAKNSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCSCC4)CC[C@@H]3C2)cc1 ZINC001255093934 1106177803 /nfs/dbraw/zinc/17/78/03/1106177803.db2.gz BGCRPXUPTRPGGX-QZTJIDSGSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCSCC4)CC[C@@H]3C2)cc1 ZINC001255093934 1106177806 /nfs/dbraw/zinc/17/78/06/1106177806.db2.gz BGCRPXUPTRPGGX-QZTJIDSGSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCSCC4)CC[C@@H]3C2)cc1 ZINC001255093934 1106177811 /nfs/dbraw/zinc/17/78/11/1106177811.db2.gz BGCRPXUPTRPGGX-QZTJIDSGSA-N 2 1 316.514 3.336 20 0 DGADMP [NH2+]=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001255099557 1106179186 /nfs/dbraw/zinc/17/91/86/1106179186.db2.gz IRPFEFXLDGWFQZ-KRWDZBQOSA-N 2 1 315.367 3.154 20 0 DGADMP [NH2+]=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001255099557 1106179190 /nfs/dbraw/zinc/17/91/90/1106179190.db2.gz IRPFEFXLDGWFQZ-KRWDZBQOSA-N 2 1 315.367 3.154 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127140 1106185001 /nfs/dbraw/zinc/18/50/01/1106185001.db2.gz RCBPVYCIMSUBBT-GEALJGNFSA-N 2 1 322.456 3.323 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127140 1106185004 /nfs/dbraw/zinc/18/50/04/1106185004.db2.gz RCBPVYCIMSUBBT-GEALJGNFSA-N 2 1 322.456 3.323 20 0 DGADMP O=c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC001255125683 1106185342 /nfs/dbraw/zinc/18/53/42/1106185342.db2.gz DJQUVJHZDQDSEE-LDLYASANSA-N 2 1 323.440 3.072 20 0 DGADMP CCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125111 1106185391 /nfs/dbraw/zinc/18/53/91/1106185391.db2.gz AOFZXZBISRAGDO-REPLKXPHSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)(C)[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126082 1106185446 /nfs/dbraw/zinc/18/54/46/1106185446.db2.gz IYIOSCHGMNPFPB-OKYOBFRVSA-N 2 1 316.489 3.179 20 0 DGADMP COCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125224 1106185482 /nfs/dbraw/zinc/18/54/82/1106185482.db2.gz SMTGVMFERCBTSY-NNZMDNLPSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135518 1106186294 /nfs/dbraw/zinc/18/62/94/1106186294.db2.gz CFTHBUHBZSDNDR-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135518 1106186296 /nfs/dbraw/zinc/18/62/96/1106186296.db2.gz CFTHBUHBZSDNDR-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135518 1106186299 /nfs/dbraw/zinc/18/62/99/1106186299.db2.gz CFTHBUHBZSDNDR-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP Cc1ncncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135033 1106186420 /nfs/dbraw/zinc/18/64/20/1106186420.db2.gz FPRRMTGYGFVCPF-ACDBMABISA-N 2 1 322.456 3.070 20 0 DGADMP Cc1ncncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135033 1106186421 /nfs/dbraw/zinc/18/64/21/1106186421.db2.gz FPRRMTGYGFVCPF-ACDBMABISA-N 2 1 322.456 3.070 20 0 DGADMP [NH3+]Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255130102 1106186679 /nfs/dbraw/zinc/18/66/79/1106186679.db2.gz QSPYKDNEMFQEIC-OWZKRDHZSA-N 2 1 322.456 3.148 20 0 DGADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001255136350 1106187415 /nfs/dbraw/zinc/18/74/15/1106187415.db2.gz JYXDDRCKUOXTSQ-IQRFUGTFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001255136350 1106187416 /nfs/dbraw/zinc/18/74/16/1106187416.db2.gz JYXDDRCKUOXTSQ-IQRFUGTFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001255136350 1106187417 /nfs/dbraw/zinc/18/74/17/1106187417.db2.gz JYXDDRCKUOXTSQ-IQRFUGTFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001255136350 1106187418 /nfs/dbraw/zinc/18/74/18/1106187418.db2.gz JYXDDRCKUOXTSQ-IQRFUGTFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@]1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001255137661 1106188319 /nfs/dbraw/zinc/18/83/19/1106188319.db2.gz ZXHAHWWSNHPRMD-HAGHYFMRSA-N 2 1 314.473 3.341 20 0 DGADMP O[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135915 1106188482 /nfs/dbraw/zinc/18/84/82/1106188482.db2.gz GCYVCQKWYSEXHP-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135915 1106188483 /nfs/dbraw/zinc/18/84/83/1106188483.db2.gz GCYVCQKWYSEXHP-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135915 1106188484 /nfs/dbraw/zinc/18/84/84/1106188484.db2.gz GCYVCQKWYSEXHP-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145781 1106190649 /nfs/dbraw/zinc/19/06/49/1106190649.db2.gz UVLWCFASLYZZAU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145781 1106190652 /nfs/dbraw/zinc/19/06/52/1106190652.db2.gz UVLWCFASLYZZAU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255145781 1106190656 /nfs/dbraw/zinc/19/06/56/1106190656.db2.gz UVLWCFASLYZZAU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255145781 1106190658 /nfs/dbraw/zinc/19/06/58/1106190658.db2.gz UVLWCFASLYZZAU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255256504 1106211159 /nfs/dbraw/zinc/21/11/59/1106211159.db2.gz AZJFYHNOUUKOSQ-QXINMDOSSA-N 2 1 324.509 3.336 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001255295750 1106217473 /nfs/dbraw/zinc/21/74/73/1106217473.db2.gz PVGSVJCKTMENAM-GUDVDZBRSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001255295750 1106217474 /nfs/dbraw/zinc/21/74/74/1106217474.db2.gz PVGSVJCKTMENAM-GUDVDZBRSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001255295750 1106217476 /nfs/dbraw/zinc/21/74/76/1106217476.db2.gz PVGSVJCKTMENAM-GUDVDZBRSA-N 2 1 316.514 3.336 20 0 DGADMP CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001255324142 1106221544 /nfs/dbraw/zinc/22/15/44/1106221544.db2.gz AGSLFGSNLMSLFF-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP CCCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001255324142 1106221546 /nfs/dbraw/zinc/22/15/46/1106221546.db2.gz AGSLFGSNLMSLFF-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001255356463 1106231391 /nfs/dbraw/zinc/23/13/91/1106231391.db2.gz JJCQQEWREOXPMS-WMZOPIPTSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001255356459 1106231581 /nfs/dbraw/zinc/23/15/81/1106231581.db2.gz JJCQQEWREOXPMS-FUHWJXTLSA-N 2 1 322.493 3.059 20 0 DGADMP C[C@@]1(O)CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255376489 1106235524 /nfs/dbraw/zinc/23/55/24/1106235524.db2.gz BYBXRYCLNXQJOK-AQNXPRMDSA-N 2 1 316.489 3.324 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001255376330 1106236100 /nfs/dbraw/zinc/23/61/00/1106236100.db2.gz BFZHRUYGHYITNR-RBUKOAKNSA-N 2 1 304.478 3.302 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001255379885 1106236436 /nfs/dbraw/zinc/23/64/36/1106236436.db2.gz XYYJVZNWEATNRN-WMZOPIPTSA-N 2 1 324.509 3.305 20 0 DGADMP CC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC001255392633 1106239915 /nfs/dbraw/zinc/23/99/15/1106239915.db2.gz HJLSFDYMKOQPAE-LJQANCHMSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@]1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCOC1 ZINC001255396897 1106240764 /nfs/dbraw/zinc/24/07/64/1106240764.db2.gz LKCZZCBZRXFNNP-OALUTQOASA-N 2 1 302.462 3.200 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001255399254 1106242427 /nfs/dbraw/zinc/24/24/27/1106242427.db2.gz PNOHZTIJKHSFKL-MJGOQNOKSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399254 1106242430 /nfs/dbraw/zinc/24/24/30/1106242430.db2.gz PNOHZTIJKHSFKL-MJGOQNOKSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399254 1106242433 /nfs/dbraw/zinc/24/24/33/1106242433.db2.gz PNOHZTIJKHSFKL-MJGOQNOKSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@]1(O)CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397772 1106243300 /nfs/dbraw/zinc/24/33/00/1106243300.db2.gz GVQHSEAOMPCLCA-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397772 1106243305 /nfs/dbraw/zinc/24/33/05/1106243305.db2.gz GVQHSEAOMPCLCA-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397772 1106243310 /nfs/dbraw/zinc/24/33/10/1106243310.db2.gz GVQHSEAOMPCLCA-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP CC[NH+](CC)CCN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399625 1106244698 /nfs/dbraw/zinc/24/46/98/1106244698.db2.gz WMRZYRNWTJHDFT-FQEVSTJZSA-N 2 1 317.521 3.315 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001255406473 1106245971 /nfs/dbraw/zinc/24/59/71/1106245971.db2.gz SONKURISOQBIGK-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001255406473 1106245974 /nfs/dbraw/zinc/24/59/74/1106245974.db2.gz SONKURISOQBIGK-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001255406473 1106245979 /nfs/dbraw/zinc/24/59/79/1106245979.db2.gz SONKURISOQBIGK-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406185 1106246166 /nfs/dbraw/zinc/24/61/66/1106246166.db2.gz PMPQFTWMGBJAOJ-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406185 1106246171 /nfs/dbraw/zinc/24/61/71/1106246171.db2.gz PMPQFTWMGBJAOJ-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255406185 1106246175 /nfs/dbraw/zinc/24/61/75/1106246175.db2.gz PMPQFTWMGBJAOJ-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408263 1106246412 /nfs/dbraw/zinc/24/64/12/1106246412.db2.gz JGAIPFHXINHNAO-UXHICEINSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408263 1106246414 /nfs/dbraw/zinc/24/64/14/1106246414.db2.gz JGAIPFHXINHNAO-UXHICEINSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408263 1106246417 /nfs/dbraw/zinc/24/64/17/1106246417.db2.gz JGAIPFHXINHNAO-UXHICEINSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408263 1106246419 /nfs/dbraw/zinc/24/64/19/1106246419.db2.gz JGAIPFHXINHNAO-UXHICEINSA-N 2 1 314.473 3.152 20 0 DGADMP FC[C@H]1[C@@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255408724 1106247243 /nfs/dbraw/zinc/24/72/43/1106247243.db2.gz PPDCLJOYXOPCQV-CADBVGFASA-N 2 1 302.437 3.188 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255408724 1106247245 /nfs/dbraw/zinc/24/72/45/1106247245.db2.gz PPDCLJOYXOPCQV-CADBVGFASA-N 2 1 302.437 3.188 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255408724 1106247248 /nfs/dbraw/zinc/24/72/48/1106247248.db2.gz PPDCLJOYXOPCQV-CADBVGFASA-N 2 1 302.437 3.188 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CC4(CSC4)C3)CC2)cc1 ZINC001255408637 1106247353 /nfs/dbraw/zinc/24/73/53/1106247353.db2.gz AEEKDXFUXKYKSC-QGZVFWFLSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC4(CSC4)C3)CC2)cc1 ZINC001255408637 1106247357 /nfs/dbraw/zinc/24/73/57/1106247357.db2.gz AEEKDXFUXKYKSC-QGZVFWFLSA-N 2 1 302.487 3.090 20 0 DGADMP CCN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410448 1106247740 /nfs/dbraw/zinc/24/77/40/1106247740.db2.gz XCXJPECMBYHDRA-FQEVSTJZSA-N 2 1 317.521 3.315 20 0 DGADMP C[N@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001255441274 1106250684 /nfs/dbraw/zinc/25/06/84/1106250684.db2.gz NEIRKZCVWDKXFG-CQSZACIVSA-N 2 1 301.409 3.124 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674264 1106291791 /nfs/dbraw/zinc/29/17/91/1106291791.db2.gz NTXUMWYWFQGCSM-XNHLSEOASA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674264 1106291797 /nfs/dbraw/zinc/29/17/97/1106291797.db2.gz NTXUMWYWFQGCSM-XNHLSEOASA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674264 1106291799 /nfs/dbraw/zinc/29/17/99/1106291799.db2.gz NTXUMWYWFQGCSM-XNHLSEOASA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674264 1106291803 /nfs/dbraw/zinc/29/18/03/1106291803.db2.gz NTXUMWYWFQGCSM-XNHLSEOASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)ccn1 ZINC001255672715 1106292096 /nfs/dbraw/zinc/29/20/96/1106292096.db2.gz PTLZSIAQJCJVAB-RGPMPMONSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)ccn1 ZINC001255672715 1106292099 /nfs/dbraw/zinc/29/20/99/1106292099.db2.gz PTLZSIAQJCJVAB-RGPMPMONSA-N 2 1 315.461 3.146 20 0 DGADMP Cc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3cccnc3)CC2)cc1 ZINC001255780217 1106314833 /nfs/dbraw/zinc/31/48/33/1106314833.db2.gz IAQRKQSCOXHZGU-KRWDZBQOSA-N 2 1 309.457 3.271 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1(O)CCC1 ZINC001255950429 1106347358 /nfs/dbraw/zinc/34/73/58/1106347358.db2.gz HFUHFJAPUAVMFB-AEFFLSMTSA-N 2 1 304.478 3.353 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1ccc(OC)c(OC)c1 ZINC001255957027 1106350060 /nfs/dbraw/zinc/35/00/60/1106350060.db2.gz OEVPDRNROOYGFM-MRXNPFEDSA-N 2 1 322.493 3.299 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001255961684 1106350567 /nfs/dbraw/zinc/35/05/67/1106350567.db2.gz NXWCFHFZMQULON-MRXNPFEDSA-N 2 1 322.468 3.230 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+](CCOC(C)C)CCOC(C)C ZINC001255962649 1106351378 /nfs/dbraw/zinc/35/13/78/1106351378.db2.gz YBRGVFYIXIXDQP-SFHVURJKSA-N 2 1 316.530 3.259 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001255972317 1106352831 /nfs/dbraw/zinc/35/28/31/1106352831.db2.gz POJYVFYPVMNSEF-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001255972317 1106352833 /nfs/dbraw/zinc/35/28/33/1106352833.db2.gz POJYVFYPVMNSEF-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP C[C@]12CC3(O)CC([NH2+]C4CC[NH+](C5CC5)CC4)(C1)C[C@@](C)(C3)C2 ZINC001256068833 1106363870 /nfs/dbraw/zinc/36/38/70/1106363870.db2.gz KUJQNSNWRDWTML-VCWRXUFXSA-N 2 1 318.505 3.067 20 0 DGADMP COc1ccccc1CC(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071721 1106364255 /nfs/dbraw/zinc/36/42/55/1106364255.db2.gz MHIOTVVEQNWBSQ-UHFFFAOYSA-N 2 1 302.462 3.233 20 0 DGADMP C[NH+]1CCC([NH2+]CCCc2ccccc2Br)CC1 ZINC001256196492 1106389150 /nfs/dbraw/zinc/38/91/50/1106389150.db2.gz ONWKCSLKRCDBFU-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001256207560 1106391024 /nfs/dbraw/zinc/39/10/24/1106391024.db2.gz MTNVJPKAYOIYLX-HNAYVOBHSA-N 2 1 302.462 3.086 20 0 DGADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001256207560 1106391030 /nfs/dbraw/zinc/39/10/30/1106391030.db2.gz MTNVJPKAYOIYLX-HNAYVOBHSA-N 2 1 302.462 3.086 20 0 DGADMP CC(C)CC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001256365213 1106410006 /nfs/dbraw/zinc/41/00/06/1106410006.db2.gz PTQOHKSJLUHTBA-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP CC(C)CC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001256365213 1106410008 /nfs/dbraw/zinc/41/00/08/1106410008.db2.gz PTQOHKSJLUHTBA-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP CC(C)CC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001256365213 1106410009 /nfs/dbraw/zinc/41/00/09/1106410009.db2.gz PTQOHKSJLUHTBA-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP CC(C)CC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001256365213 1106410011 /nfs/dbraw/zinc/41/00/11/1106410011.db2.gz PTQOHKSJLUHTBA-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001256418718 1106418996 /nfs/dbraw/zinc/41/89/96/1106418996.db2.gz YJFITFOREDBNGN-HKUYNNGSSA-N 2 1 301.478 3.353 20 0 DGADMP C[C@H](Cc1ccccn1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256419980 1106419104 /nfs/dbraw/zinc/41/91/04/1106419104.db2.gz AEEDKVSQZDDRIK-QUCCMNQESA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256419980 1106419106 /nfs/dbraw/zinc/41/91/06/1106419106.db2.gz AEEDKVSQZDDRIK-QUCCMNQESA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256419980 1106419108 /nfs/dbraw/zinc/41/91/08/1106419108.db2.gz AEEDKVSQZDDRIK-QUCCMNQESA-N 2 1 323.484 3.467 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520868 1106433314 /nfs/dbraw/zinc/43/33/14/1106433314.db2.gz VCPIJPRACVNZGF-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520868 1106433317 /nfs/dbraw/zinc/43/33/17/1106433317.db2.gz VCPIJPRACVNZGF-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520868 1106433321 /nfs/dbraw/zinc/43/33/21/1106433321.db2.gz VCPIJPRACVNZGF-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529091 1106434287 /nfs/dbraw/zinc/43/42/87/1106434287.db2.gz QCTWMYCNFMKPFR-LAUBAEHRSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529091 1106434289 /nfs/dbraw/zinc/43/42/89/1106434289.db2.gz QCTWMYCNFMKPFR-LAUBAEHRSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@H]1C[C@H](NC2C[NH+](C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537419 1106436756 /nfs/dbraw/zinc/43/67/56/1106436756.db2.gz NXYNOUFHXDBWFE-FUHWJXTLSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@H](NC2C[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537419 1106436760 /nfs/dbraw/zinc/43/67/60/1106436760.db2.gz NXYNOUFHXDBWFE-FUHWJXTLSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540504 1106438315 /nfs/dbraw/zinc/43/83/15/1106438315.db2.gz IQJIUOXQROEOMI-JYBIWHBTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540504 1106438317 /nfs/dbraw/zinc/43/83/17/1106438317.db2.gz IQJIUOXQROEOMI-JYBIWHBTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540504 1106438319 /nfs/dbraw/zinc/43/83/19/1106438319.db2.gz IQJIUOXQROEOMI-JYBIWHBTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540504 1106438321 /nfs/dbraw/zinc/43/83/21/1106438321.db2.gz IQJIUOXQROEOMI-JYBIWHBTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544402 1106439188 /nfs/dbraw/zinc/43/91/88/1106439188.db2.gz YCGQBNPFOJMKIA-SCTDSRPQSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544402 1106439191 /nfs/dbraw/zinc/43/91/91/1106439191.db2.gz YCGQBNPFOJMKIA-SCTDSRPQSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544402 1106439194 /nfs/dbraw/zinc/43/91/94/1106439194.db2.gz YCGQBNPFOJMKIA-SCTDSRPQSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544402 1106439196 /nfs/dbraw/zinc/43/91/96/1106439196.db2.gz YCGQBNPFOJMKIA-SCTDSRPQSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552833 1106440864 /nfs/dbraw/zinc/44/08/64/1106440864.db2.gz DZINTWQACFYLHO-MJGOQNOKSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552833 1106440868 /nfs/dbraw/zinc/44/08/68/1106440868.db2.gz DZINTWQACFYLHO-MJGOQNOKSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H](n2ccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256557211 1106443666 /nfs/dbraw/zinc/44/36/66/1106443666.db2.gz IGPKQICTSVLYAV-VQIMIIECSA-N 2 1 309.457 3.359 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256558788 1106445170 /nfs/dbraw/zinc/44/51/70/1106445170.db2.gz WZEVFKZZJUEYQL-UHFFFAOYSA-N 3 1 303.494 3.101 20 0 DGADMP Cc1noc2ccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc12 ZINC001256565328 1106446789 /nfs/dbraw/zinc/44/67/89/1106446789.db2.gz DQISPZDNZMVWRE-UHFFFAOYSA-N 2 1 301.434 3.489 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256568916 1106447598 /nfs/dbraw/zinc/44/75/98/1106447598.db2.gz KSEOBDZHEQUYDY-SAABIXHNSA-N 2 1 309.542 3.492 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)C1CCN(Cc2ccccc2)CC1 ZINC001256613914 1106454425 /nfs/dbraw/zinc/45/44/25/1106454425.db2.gz ZFDACQMHDBKGDJ-UHFFFAOYSA-N 2 1 317.521 3.315 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(Cc2ccccc2)CC1 ZINC001256613914 1106454428 /nfs/dbraw/zinc/45/44/28/1106454428.db2.gz ZFDACQMHDBKGDJ-UHFFFAOYSA-N 2 1 317.521 3.315 20 0 DGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256613813 1106454520 /nfs/dbraw/zinc/45/45/20/1106454520.db2.gz WDYXUSXXYZCAIS-HXUWFJFHSA-N 2 1 315.505 3.066 20 0 DGADMP COc1ccc(CC(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256620248 1106455344 /nfs/dbraw/zinc/45/53/44/1106455344.db2.gz SNKXVNUNCSKXIK-ALOPSCKCSA-N 2 1 302.462 3.231 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001256631344 1106457195 /nfs/dbraw/zinc/45/71/95/1106457195.db2.gz VIACZHMFYWIGDJ-HRBLRVMOSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001256631344 1106457199 /nfs/dbraw/zinc/45/71/99/1106457199.db2.gz VIACZHMFYWIGDJ-HRBLRVMOSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001256631344 1106457204 /nfs/dbraw/zinc/45/72/04/1106457204.db2.gz VIACZHMFYWIGDJ-HRBLRVMOSA-N 2 1 300.446 3.110 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256631553 1106457864 /nfs/dbraw/zinc/45/78/64/1106457864.db2.gz YQBRMSYAAPUQAD-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256631553 1106457867 /nfs/dbraw/zinc/45/78/67/1106457867.db2.gz YQBRMSYAAPUQAD-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+]2C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256695362 1106470841 /nfs/dbraw/zinc/47/08/41/1106470841.db2.gz XWEQIRDSNBQQCP-MHJFOBGBSA-N 2 1 314.473 3.467 20 0 DGADMP C[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C(C)(C)C ZINC001256720709 1106473017 /nfs/dbraw/zinc/47/30/17/1106473017.db2.gz QCJKNOKUTWSGED-KRWDZBQOSA-N 2 1 317.521 3.206 20 0 DGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256828890 1106492925 /nfs/dbraw/zinc/49/29/25/1106492925.db2.gz IYQMNBSSFZSRHG-MOPGFXCFSA-N 2 1 302.462 3.323 20 0 DGADMP F[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC1(F)F ZINC001256855155 1106497884 /nfs/dbraw/zinc/49/78/84/1106497884.db2.gz GBOUFFSSBPTKRW-OAHLLOKOSA-N 2 1 313.367 3.120 20 0 DGADMP Cc1cc([C@@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)no1 ZINC001256855735 1106498026 /nfs/dbraw/zinc/49/80/26/1106498026.db2.gz UPLPLKNSGBDTMU-SFHVURJKSA-N 2 1 312.417 3.184 20 0 DGADMP Cc1ccc2c(c1)C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256854958 1106498407 /nfs/dbraw/zinc/49/84/07/1106498407.db2.gz BSTHHKDCXQHTSC-UHFFFAOYSA-N 2 1 307.441 3.417 20 0 DGADMP CCC1CCC([N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)CC1 ZINC001256873535 1106501653 /nfs/dbraw/zinc/50/16/53/1106501653.db2.gz VRWLLBMVYDNFRR-OYBTXZFASA-N 2 1 313.489 3.414 20 0 DGADMP COc1ccccc1CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895338 1106503996 /nfs/dbraw/zinc/50/39/96/1106503996.db2.gz BAPMKSHIKSLBSS-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccccc1CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895338 1106504000 /nfs/dbraw/zinc/50/40/00/1106504000.db2.gz BAPMKSHIKSLBSS-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256900924 1106506120 /nfs/dbraw/zinc/50/61/20/1106506120.db2.gz CKQOTUHOJNZAOA-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256900924 1106506123 /nfs/dbraw/zinc/50/61/23/1106506123.db2.gz CKQOTUHOJNZAOA-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP C([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CCC2(COC2)CC1 ZINC001256901437 1106506312 /nfs/dbraw/zinc/50/63/12/1106506312.db2.gz WJCHWHDBOYGOQP-QGZVFWFLSA-N 2 1 306.494 3.190 20 0 DGADMP C([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CCC2(COC2)CC1 ZINC001256901437 1106506314 /nfs/dbraw/zinc/50/63/14/1106506314.db2.gz WJCHWHDBOYGOQP-QGZVFWFLSA-N 2 1 306.494 3.190 20 0 DGADMP CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900119 1106506325 /nfs/dbraw/zinc/50/63/25/1106506325.db2.gz IZSXAALRUFESEC-QGZVFWFLSA-N 2 1 307.526 3.374 20 0 DGADMP O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+][C@@H]4CCC[N@@H+](C5CCCC5)C4)(C3)C1)C2 ZINC001256903131 1106506823 /nfs/dbraw/zinc/50/68/23/1106506823.db2.gz XRVIEDSLKDQOGV-FPPGBKCQSA-N 2 1 318.505 3.067 20 0 DGADMP O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+][C@@H]4CCC[N@H+](C5CCCC5)C4)(C3)C1)C2 ZINC001256903131 1106506825 /nfs/dbraw/zinc/50/68/25/1106506825.db2.gz XRVIEDSLKDQOGV-FPPGBKCQSA-N 2 1 318.505 3.067 20 0 DGADMP CC(C)[NH+]1CCC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001257218237 1106553283 /nfs/dbraw/zinc/55/32/83/1106553283.db2.gz SXZWFBQHQCBAQD-UHFFFAOYSA-N 2 1 319.537 3.200 20 0 DGADMP CC(C)N1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001257220700 1106553329 /nfs/dbraw/zinc/55/33/29/1106553329.db2.gz SQIHJBFDMVKDDD-IBGZPJMESA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001257220700 1106553336 /nfs/dbraw/zinc/55/33/36/1106553336.db2.gz SQIHJBFDMVKDDD-IBGZPJMESA-N 2 1 302.462 3.150 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257223690 1106554617 /nfs/dbraw/zinc/55/46/17/1106554617.db2.gz WNABXFQYZNAAHO-GOSISDBHSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257223690 1106554619 /nfs/dbraw/zinc/55/46/19/1106554619.db2.gz WNABXFQYZNAAHO-GOSISDBHSA-N 2 1 317.477 3.106 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257224221 1106554656 /nfs/dbraw/zinc/55/46/56/1106554656.db2.gz SXVBOFILOUWBOF-KRWDZBQOSA-N 2 1 302.462 3.357 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257389015 1106579839 /nfs/dbraw/zinc/57/98/39/1106579839.db2.gz WADWFZWXTNWCBY-ULQDDVLXSA-N 2 1 312.498 3.479 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257389014 1106579855 /nfs/dbraw/zinc/57/98/55/1106579855.db2.gz WADWFZWXTNWCBY-BRWVUGGUSA-N 2 1 312.498 3.479 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001257401228 1106581762 /nfs/dbraw/zinc/58/17/62/1106581762.db2.gz ANEWDANQLGLZRL-QGZVFWFLSA-N 2 1 324.509 3.449 20 0 DGADMP CC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257436487 1106588358 /nfs/dbraw/zinc/58/83/58/1106588358.db2.gz WINVUFNEAQCTDT-WBAXXEDZSA-N 2 1 318.461 3.344 20 0 DGADMP CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445982 1106590923 /nfs/dbraw/zinc/59/09/23/1106590923.db2.gz WANZGOMJBCBRHC-DKKFBQAASA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445982 1106590924 /nfs/dbraw/zinc/59/09/24/1106590924.db2.gz WANZGOMJBCBRHC-DKKFBQAASA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445982 1106590926 /nfs/dbraw/zinc/59/09/26/1106590926.db2.gz WANZGOMJBCBRHC-DKKFBQAASA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445982 1106590929 /nfs/dbraw/zinc/59/09/29/1106590929.db2.gz WANZGOMJBCBRHC-DKKFBQAASA-N 2 1 301.478 3.412 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCCCC1)[C@H]2C ZINC001257457419 1106592754 /nfs/dbraw/zinc/59/27/54/1106592754.db2.gz FQZBWERMSBKSPY-HNNXBMFYSA-N 2 1 304.482 3.433 20 0 DGADMP CC(C)OC1CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001257879901 1106639430 /nfs/dbraw/zinc/63/94/30/1106639430.db2.gz MOMALQFNONNSNQ-UHFFFAOYSA-N 2 1 306.494 3.140 20 0 DGADMP CC(C)OC1CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001257879901 1106639433 /nfs/dbraw/zinc/63/94/33/1106639433.db2.gz MOMALQFNONNSNQ-UHFFFAOYSA-N 2 1 306.494 3.140 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCC4(COC4)CC3)C2)cc1 ZINC001257896145 1106643107 /nfs/dbraw/zinc/64/31/07/1106643107.db2.gz GVEJAQLVDFXZCM-SFHVURJKSA-N 2 1 314.473 3.057 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257960839 1106652141 /nfs/dbraw/zinc/65/21/41/1106652141.db2.gz ZLZNCYXZVCNQQO-PBHICJAKSA-N 2 1 322.880 3.485 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3COc4ccc(Cl)cc4C3)C2)CC1 ZINC001257966095 1106652751 /nfs/dbraw/zinc/65/27/51/1106652751.db2.gz BCQHOKRIIXNNRB-MRXNPFEDSA-N 2 1 320.864 3.061 20 0 DGADMP Clc1ccc2c(c1)C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)CO2 ZINC001257967261 1106652914 /nfs/dbraw/zinc/65/29/14/1106652914.db2.gz UHYWZWDEXYXWSW-OAHLLOKOSA-N 2 1 317.820 3.180 20 0 DGADMP CC(C)CN1CCC([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001258015003 1106658088 /nfs/dbraw/zinc/65/80/88/1106658088.db2.gz WNWDYXWZTDSHAA-UHFFFAOYSA-N 2 1 321.553 3.161 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001258013637 1106658234 /nfs/dbraw/zinc/65/82/34/1106658234.db2.gz VKMSGEVSRATOJT-AWEZNQCLSA-N 2 1 310.379 3.331 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001258013637 1106658235 /nfs/dbraw/zinc/65/82/35/1106658235.db2.gz VKMSGEVSRATOJT-AWEZNQCLSA-N 2 1 310.379 3.331 20 0 DGADMP CCOC(=O)CC1CCC([N@@H+](C(C)C)C2CCN(C)CC2)CC1 ZINC001258038119 1106662762 /nfs/dbraw/zinc/66/27/62/1106662762.db2.gz JFEWFRKOCXJCJY-UHFFFAOYSA-N 2 1 324.509 3.303 20 0 DGADMP Cc1ccnc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258135678 1106679919 /nfs/dbraw/zinc/67/99/19/1106679919.db2.gz SPUZZVYUQAXPHD-UHFFFAOYSA-N 2 1 323.484 3.229 20 0 DGADMP C[C@]1(CF)CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141313 1106680186 /nfs/dbraw/zinc/68/01/86/1106680186.db2.gz YKOXZTTVJQATDK-LJQANCHMSA-N 2 1 304.453 3.375 20 0 DGADMP C[C@]1(CF)CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141313 1106680187 /nfs/dbraw/zinc/68/01/87/1106680187.db2.gz YKOXZTTVJQATDK-LJQANCHMSA-N 2 1 304.453 3.375 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)C1 ZINC001258151310 1106680839 /nfs/dbraw/zinc/68/08/39/1106680839.db2.gz IYENHDXQWYUCRT-IAGOWNOFSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147894 1106680902 /nfs/dbraw/zinc/68/09/02/1106680902.db2.gz VSOJKHQDOYFHST-FQEVSTJZSA-N 2 1 316.489 3.193 20 0 DGADMP CC(C)O[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147894 1106680904 /nfs/dbraw/zinc/68/09/04/1106680904.db2.gz VSOJKHQDOYFHST-FQEVSTJZSA-N 2 1 316.489 3.193 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189443 1106692524 /nfs/dbraw/zinc/69/25/24/1106692524.db2.gz RYMNOKXVPJEWNP-IEBWSBKVSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189443 1106692526 /nfs/dbraw/zinc/69/25/26/1106692526.db2.gz RYMNOKXVPJEWNP-IEBWSBKVSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189443 1106692529 /nfs/dbraw/zinc/69/25/29/1106692529.db2.gz RYMNOKXVPJEWNP-IEBWSBKVSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189443 1106692531 /nfs/dbraw/zinc/69/25/31/1106692531.db2.gz RYMNOKXVPJEWNP-IEBWSBKVSA-N 2 1 320.477 3.033 20 0 DGADMP CSCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258208719 1106697486 /nfs/dbraw/zinc/69/74/86/1106697486.db2.gz HKLNQXXZVCLJMS-DJIMGWMZSA-N 2 1 307.507 3.295 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001258406660 1106732342 /nfs/dbraw/zinc/73/23/42/1106732342.db2.gz UIMYHHADGIKZSV-LPHOPBHVSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001258406660 1106732346 /nfs/dbraw/zinc/73/23/46/1106732346.db2.gz UIMYHHADGIKZSV-LPHOPBHVSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001258406660 1106732352 /nfs/dbraw/zinc/73/23/52/1106732352.db2.gz UIMYHHADGIKZSV-LPHOPBHVSA-N 2 1 302.462 3.044 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(c2cccc(F)c2)CC1 ZINC001258427130 1106741496 /nfs/dbraw/zinc/74/14/96/1106741496.db2.gz JINCROKJLACSAK-UHFFFAOYSA-N 2 1 321.484 3.458 20 0 DGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258671030 1106892667 /nfs/dbraw/zinc/89/26/67/1106892667.db2.gz LCPGFNJLTWVPGB-CEXWTWQISA-N 2 1 309.542 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690444 1106907207 /nfs/dbraw/zinc/90/72/07/1106907207.db2.gz RHJXSDVYMZIBNL-NXHRZFHOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690444 1106907220 /nfs/dbraw/zinc/90/72/20/1106907220.db2.gz RHJXSDVYMZIBNL-NXHRZFHOSA-N 2 1 308.510 3.292 20 0 DGADMP CCCN1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258769942 1106965615 /nfs/dbraw/zinc/96/56/15/1106965615.db2.gz ALXOQARJGZSJRK-SAABIXHNSA-N 2 1 307.526 3.375 20 0 DGADMP CCC[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258769942 1106965622 /nfs/dbraw/zinc/96/56/22/1106965622.db2.gz ALXOQARJGZSJRK-SAABIXHNSA-N 3 1 307.526 3.375 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258769942 1106965629 /nfs/dbraw/zinc/96/56/29/1106965629.db2.gz ALXOQARJGZSJRK-SAABIXHNSA-N 3 1 307.526 3.375 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2cncc(OC)c2)C2CC2)CC1 ZINC001258771636 1106966921 /nfs/dbraw/zinc/96/69/21/1106966921.db2.gz MIRNXSWUXOWKGC-SFHVURJKSA-N 2 1 303.450 3.005 20 0 DGADMP CCC[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001258776097 1106969611 /nfs/dbraw/zinc/96/96/11/1106969611.db2.gz SZNKPTFNFQSCCA-SFHVURJKSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001258777442 1106970022 /nfs/dbraw/zinc/97/00/22/1106970022.db2.gz WDUMRVYFUGGUMF-KRWDZBQOSA-N 2 1 302.462 3.359 20 0 DGADMP CCC[NH+]1CCC([N@H+](CC)CCc2ccc(OC)cc2)CC1 ZINC001258776978 1106970581 /nfs/dbraw/zinc/97/05/81/1106970581.db2.gz KCNMZZRZMKSEBR-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP CCC[NH+]1CCC([N@@H+](CC)CCc2ccc(OC)cc2)CC1 ZINC001258776978 1106970589 /nfs/dbraw/zinc/97/05/89/1106970589.db2.gz KCNMZZRZMKSEBR-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258839637 1107018622 /nfs/dbraw/zinc/01/86/22/1107018622.db2.gz IJUHZQKVTYMTGT-SFHVURJKSA-N 3 1 319.537 3.483 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258884987 1107037616 /nfs/dbraw/zinc/03/76/16/1107037616.db2.gz SZWUFNKYEOVHGC-APWZRJJASA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258884987 1107037628 /nfs/dbraw/zinc/03/76/28/1107037628.db2.gz SZWUFNKYEOVHGC-APWZRJJASA-N 2 1 316.489 3.480 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001258899394 1107046425 /nfs/dbraw/zinc/04/64/25/1107046425.db2.gz KIAYLUMGEYAZCL-SJORKVTESA-N 2 1 320.477 3.218 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC001258900479 1107047850 /nfs/dbraw/zinc/04/78/50/1107047850.db2.gz MYVKBUXRRYPCRD-CQSZACIVSA-N 2 1 300.487 3.207 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258903990 1107050078 /nfs/dbraw/zinc/05/00/78/1107050078.db2.gz FSPJUTIYJZZOTL-HKUYNNGSSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258903990 1107050090 /nfs/dbraw/zinc/05/00/90/1107050090.db2.gz FSPJUTIYJZZOTL-HKUYNNGSSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC001258908580 1107055452 /nfs/dbraw/zinc/05/54/52/1107055452.db2.gz XSHZNNICTGNYAB-SFHVURJKSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccccc1 ZINC001474751083 1107144267 /nfs/dbraw/zinc/14/42/67/1107144267.db2.gz HJZBAINXKGTNIP-PKOBYXMFSA-N 2 1 314.477 3.334 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC001261201399 1107358990 /nfs/dbraw/zinc/35/89/90/1107358990.db2.gz AUCPHIYMADSVAV-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC001261201399 1107359007 /nfs/dbraw/zinc/35/90/07/1107359007.db2.gz AUCPHIYMADSVAV-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932100 1107466992 /nfs/dbraw/zinc/46/69/92/1107466992.db2.gz BQCZWAAEJVDEHF-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932100 1107466998 /nfs/dbraw/zinc/46/69/98/1107466998.db2.gz BQCZWAAEJVDEHF-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(F)c1)Cc1cccc2c1CC[NH2+]C2 ZINC001261642913 1107491187 /nfs/dbraw/zinc/49/11/87/1107491187.db2.gz ZBZGMCWKDHEPFA-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC001322449105 1107675947 /nfs/dbraw/zinc/67/59/47/1107675947.db2.gz IBDPFVLYKDFPDZ-QGZVFWFLSA-N 2 1 321.440 3.090 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@H]2C1 ZINC001262378946 1107706385 /nfs/dbraw/zinc/70/63/85/1107706385.db2.gz PABCUODGVGEWEM-BFHYXJOUSA-N 2 1 312.379 3.266 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC001322615084 1107717064 /nfs/dbraw/zinc/71/70/64/1107717064.db2.gz QBSDWTJNIVQOOM-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)CCC2 ZINC001322634382 1107721548 /nfs/dbraw/zinc/72/15/48/1107721548.db2.gz ULTPLBPXHBSNFZ-KGLIPLIRSA-N 2 1 307.507 3.404 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199311 1108361807 /nfs/dbraw/zinc/36/18/07/1108361807.db2.gz VXFSWFFQCINCCY-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199311 1108361823 /nfs/dbraw/zinc/36/18/23/1108361823.db2.gz VXFSWFFQCINCCY-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001264126762 1108388244 /nfs/dbraw/zinc/38/82/44/1108388244.db2.gz YIHLADRNXABNGM-MJRGOJFPSA-N 2 1 323.525 3.045 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001319333338 1108417535 /nfs/dbraw/zinc/41/75/35/1108417535.db2.gz FKZGNZLWUULRRZ-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333338 1108417542 /nfs/dbraw/zinc/41/75/42/1108417542.db2.gz FKZGNZLWUULRRZ-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333338 1108417545 /nfs/dbraw/zinc/41/75/45/1108417545.db2.gz FKZGNZLWUULRRZ-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333338 1108417550 /nfs/dbraw/zinc/41/75/50/1108417550.db2.gz FKZGNZLWUULRRZ-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333338 1108417556 /nfs/dbraw/zinc/41/75/56/1108417556.db2.gz FKZGNZLWUULRRZ-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP Cn1cc(-c2ccc(C[NH2+]CCCC[N@@H+](C)C3CC3)cc2)cn1 ZINC001324849504 1108486172 /nfs/dbraw/zinc/48/61/72/1108486172.db2.gz WLJFIQUUXANKEE-UHFFFAOYSA-N 2 1 312.461 3.051 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]n1 ZINC001319716047 1108607835 /nfs/dbraw/zinc/60/78/35/1108607835.db2.gz SJHWTPTUNDCQCL-INIZCTEOSA-N 2 1 304.482 3.195 20 0 DGADMP Fc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC001325279711 1108611783 /nfs/dbraw/zinc/61/17/83/1108611783.db2.gz YQPZUPOBKQLEOV-IEBWSBKVSA-N 2 1 317.452 3.011 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390715379 1108677260 /nfs/dbraw/zinc/67/72/60/1108677260.db2.gz KKEDADMWCYDPQV-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CCN1C ZINC001319948247 1108708858 /nfs/dbraw/zinc/70/88/58/1108708858.db2.gz LJYWXMWWFBDHEA-FUHWJXTLSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@H]1C[C@H](N(C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948247 1108708863 /nfs/dbraw/zinc/70/88/63/1108708863.db2.gz LJYWXMWWFBDHEA-FUHWJXTLSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@H]1C[C@H](N(C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948247 1108708870 /nfs/dbraw/zinc/70/88/70/1108708870.db2.gz LJYWXMWWFBDHEA-FUHWJXTLSA-N 2 1 301.478 3.201 20 0 DGADMP CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001265740589 1108988440 /nfs/dbraw/zinc/98/84/40/1108988440.db2.gz HRCRGOGZSKVGCI-ABHNRTSZSA-N 2 1 323.525 3.066 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702645597 1109084777 /nfs/dbraw/zinc/08/47/77/1109084777.db2.gz YECFXYHGVSIJCM-UYAOXDASSA-N 2 1 318.505 3.429 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645597 1109084781 /nfs/dbraw/zinc/08/47/81/1109084781.db2.gz YECFXYHGVSIJCM-UYAOXDASSA-N 2 1 318.505 3.429 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001284127620 1109742321 /nfs/dbraw/zinc/74/23/21/1109742321.db2.gz CIMRXEJYKAKWMF-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001284127620 1109742323 /nfs/dbraw/zinc/74/23/23/1109742323.db2.gz CIMRXEJYKAKWMF-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001284127620 1109742324 /nfs/dbraw/zinc/74/23/24/1109742324.db2.gz CIMRXEJYKAKWMF-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC001307496429 1111306417 /nfs/dbraw/zinc/30/64/17/1111306417.db2.gz SZCOEJMXIBJXTF-HSALFYBXSA-N 2 1 318.505 3.264 20 0 DGADMP COC(=O)c1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)ccc1C ZINC001307497360 1111306823 /nfs/dbraw/zinc/30/68/23/1111306823.db2.gz FBPNSXBLLDXMRY-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1C ZINC001307497360 1111306826 /nfs/dbraw/zinc/30/68/26/1111306826.db2.gz FBPNSXBLLDXMRY-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1C ZINC001307497360 1111306830 /nfs/dbraw/zinc/30/68/30/1111306830.db2.gz FBPNSXBLLDXMRY-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1C ZINC001307497360 1111306834 /nfs/dbraw/zinc/30/68/34/1111306834.db2.gz FBPNSXBLLDXMRY-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1C ZINC001307497360 1111306839 /nfs/dbraw/zinc/30/68/39/1111306839.db2.gz FBPNSXBLLDXMRY-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP CCC[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564285 1111315407 /nfs/dbraw/zinc/31/54/07/1111315407.db2.gz WJNZQKDEWMHRAM-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564285 1111315411 /nfs/dbraw/zinc/31/54/11/1111315411.db2.gz WJNZQKDEWMHRAM-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307564285 1111315414 /nfs/dbraw/zinc/31/54/14/1111315414.db2.gz WJNZQKDEWMHRAM-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307564285 1111315417 /nfs/dbraw/zinc/31/54/17/1111315417.db2.gz WJNZQKDEWMHRAM-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCCC13CCOCC3)C2 ZINC001307786360 1111339170 /nfs/dbraw/zinc/33/91/70/1111339170.db2.gz ZDIJNIHJWKZWIY-ZWKOTPCHSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCCC13CCOCC3)C2 ZINC001307786360 1111339174 /nfs/dbraw/zinc/33/91/74/1111339174.db2.gz ZDIJNIHJWKZWIY-ZWKOTPCHSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCCC13CCOCC3)C2 ZINC001307786360 1111339178 /nfs/dbraw/zinc/33/91/78/1111339178.db2.gz ZDIJNIHJWKZWIY-ZWKOTPCHSA-N 2 1 306.494 3.001 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCCC13CCOCC3)C2 ZINC001307786359 1111339212 /nfs/dbraw/zinc/33/92/12/1111339212.db2.gz ZDIJNIHJWKZWIY-ROUUACIJSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCCC13CCOCC3)C2 ZINC001307786359 1111339216 /nfs/dbraw/zinc/33/92/16/1111339216.db2.gz ZDIJNIHJWKZWIY-ROUUACIJSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCCC13CCOCC3)C2 ZINC001307786359 1111339221 /nfs/dbraw/zinc/33/92/21/1111339221.db2.gz ZDIJNIHJWKZWIY-ROUUACIJSA-N 2 1 306.494 3.001 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307987286 1111362730 /nfs/dbraw/zinc/36/27/30/1111362730.db2.gz IGYCEBJOVWRFDN-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307987286 1111362731 /nfs/dbraw/zinc/36/27/31/1111362731.db2.gz IGYCEBJOVWRFDN-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307987286 1111362735 /nfs/dbraw/zinc/36/27/35/1111362735.db2.gz IGYCEBJOVWRFDN-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307987286 1111362737 /nfs/dbraw/zinc/36/27/37/1111362737.db2.gz IGYCEBJOVWRFDN-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP CC(C)COc1cccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001308012023 1111366465 /nfs/dbraw/zinc/36/64/65/1111366465.db2.gz VIXYOCYAIUZHRJ-IEBWSBKVSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001308012023 1111366471 /nfs/dbraw/zinc/36/64/71/1111366471.db2.gz VIXYOCYAIUZHRJ-IEBWSBKVSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001308012023 1111366475 /nfs/dbraw/zinc/36/64/75/1111366475.db2.gz VIXYOCYAIUZHRJ-IEBWSBKVSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001308012023 1111366481 /nfs/dbraw/zinc/36/64/81/1111366481.db2.gz VIXYOCYAIUZHRJ-IEBWSBKVSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001308012023 1111366484 /nfs/dbraw/zinc/36/64/84/1111366484.db2.gz VIXYOCYAIUZHRJ-IEBWSBKVSA-N 2 1 302.462 3.247 20 0 DGADMP CN(CC[N@@H+](C)CCCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001308039460 1111370308 /nfs/dbraw/zinc/37/03/08/1111370308.db2.gz QBAFAYJSWYRUOG-UHFFFAOYSA-N 2 1 317.521 3.316 20 0 DGADMP CN(CCCC[NH+]1CCCCC1)CC[N@H+](C)Cc1ccccc1 ZINC001308039460 1111370310 /nfs/dbraw/zinc/37/03/10/1111370310.db2.gz QBAFAYJSWYRUOG-UHFFFAOYSA-N 2 1 317.521 3.316 20 0 DGADMP CN(CCCC[NH+]1CCCCC1)CC[N@@H+](C)Cc1ccccc1 ZINC001308039460 1111370313 /nfs/dbraw/zinc/37/03/13/1111370313.db2.gz QBAFAYJSWYRUOG-UHFFFAOYSA-N 2 1 317.521 3.316 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC001308338843 1111418484 /nfs/dbraw/zinc/41/84/84/1111418484.db2.gz LFRIZMQYFOTHIX-MRXNPFEDSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1F ZINC001308338843 1111418486 /nfs/dbraw/zinc/41/84/86/1111418486.db2.gz LFRIZMQYFOTHIX-MRXNPFEDSA-N 2 1 308.441 3.292 20 0 DGADMP Cc1cn2c(C[NH2+]CC[C@@H](C)[NH+]3CCCCC3)c(C)nc2s1 ZINC001308366748 1111422212 /nfs/dbraw/zinc/42/22/12/1111422212.db2.gz NMUPCQAEHKMDPM-CYBMUJFWSA-N 2 1 320.506 3.367 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2ccc(O)cc2)CC2CC2)CC1 ZINC001308743193 1111469380 /nfs/dbraw/zinc/46/93/80/1111469380.db2.gz RLNCGVWYBMOCJM-UHFFFAOYSA-N 2 1 302.462 3.336 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883501 1111488184 /nfs/dbraw/zinc/48/81/84/1111488184.db2.gz XHNWTWFTJOEQCD-BEFAXECRSA-N 2 1 301.478 3.123 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883501 1111488187 /nfs/dbraw/zinc/48/81/87/1111488187.db2.gz XHNWTWFTJOEQCD-BEFAXECRSA-N 2 1 301.478 3.123 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001308984971 1111505364 /nfs/dbraw/zinc/50/53/64/1111505364.db2.gz UDUIQOUZDHLLFN-HVMFNXBNSA-N 2 1 313.489 3.346 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001621452870 1193844737 /nfs/dbraw/zinc/84/47/37/1193844737.db2.gz IUFJCZOSTHJUPC-UHFFFAOYSA-N 2 1 304.478 3.264 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338215 214098727 /nfs/dbraw/zinc/09/87/27/214098727.db2.gz AETQRYUMBKQMMU-ZIAGYGMSSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338215 214098730 /nfs/dbraw/zinc/09/87/30/214098730.db2.gz AETQRYUMBKQMMU-ZIAGYGMSSA-N 2 1 312.404 3.116 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278469484 214173374 /nfs/dbraw/zinc/17/33/74/214173374.db2.gz JRPSTZGCRLISOC-SJORKVTESA-N 2 1 320.477 3.237 20 0 DGADMP C[C@@H](CC[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000278459087 214167128 /nfs/dbraw/zinc/16/71/28/214167128.db2.gz ZOKUEFRKSMWDAP-ROUUACIJSA-N 2 1 304.478 3.271 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)CO1 ZINC000414706036 230806823 /nfs/dbraw/zinc/80/68/23/230806823.db2.gz OGEVJRSKIFZXSB-MTNOOBJLSA-N 2 1 302.462 3.145 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000103143183 432003746 /nfs/dbraw/zinc/00/37/46/432003746.db2.gz WSKILKJKMHWDPS-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000309702162 231103338 /nfs/dbraw/zinc/10/33/38/231103338.db2.gz GKRDABMRWAJHAS-HKUYNNGSSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309702162 231103342 /nfs/dbraw/zinc/10/33/42/231103342.db2.gz GKRDABMRWAJHAS-HKUYNNGSSA-N 2 1 309.457 3.390 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441449015 529544414 /nfs/dbraw/zinc/54/44/14/529544414.db2.gz MMTNPWTUZDWDML-LJQANCHMSA-N 2 1 316.489 3.436 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441449015 529544417 /nfs/dbraw/zinc/54/44/17/529544417.db2.gz MMTNPWTUZDWDML-LJQANCHMSA-N 2 1 316.489 3.436 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000277131217 282206232 /nfs/dbraw/zinc/20/62/32/282206232.db2.gz YSSUVPADMGEAAA-DLBZAZTESA-N 2 1 319.836 3.355 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000269259766 282209152 /nfs/dbraw/zinc/20/91/52/282209152.db2.gz BNSXVHXZVFPWGP-GOSISDBHSA-N 2 1 311.429 3.184 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)O ZINC000295021874 529661301 /nfs/dbraw/zinc/66/13/01/529661301.db2.gz NUCPRNXDYIIRMI-OKYOBFRVSA-N 2 1 316.489 3.036 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000317428709 529671539 /nfs/dbraw/zinc/67/15/39/529671539.db2.gz PFPFEIUZBFQXJG-BZSNNMDCSA-N 2 1 300.446 3.289 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000132351742 529681630 /nfs/dbraw/zinc/68/16/30/529681630.db2.gz SXEWFBFLVDEOKC-PKOBYXMFSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000090530644 185300697 /nfs/dbraw/zinc/30/06/97/185300697.db2.gz CSRHDSQFPKBPRR-ZFWWWQNUSA-N 2 1 323.444 3.494 20 0 DGADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)CC(C)(C)C[NH3+] ZINC000430582463 529871626 /nfs/dbraw/zinc/87/16/26/529871626.db2.gz KPXQECRZIUKDHV-UHFFFAOYSA-N 2 1 313.445 3.085 20 0 DGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435628628 529925101 /nfs/dbraw/zinc/92/51/01/529925101.db2.gz VKKQSIYWMMPLOS-AWEZNQCLSA-N 2 1 316.367 3.158 20 0 DGADMP C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435624898 529975320 /nfs/dbraw/zinc/97/53/20/529975320.db2.gz YPOGPFBNBPNWBL-OAHLLOKOSA-N 2 1 303.381 3.055 20 0 DGADMP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435624898 529975321 /nfs/dbraw/zinc/97/53/21/529975321.db2.gz YPOGPFBNBPNWBL-OAHLLOKOSA-N 2 1 303.381 3.055 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430636974 530001670 /nfs/dbraw/zinc/00/16/70/530001670.db2.gz BNQYKNPRWVZBMM-MRXNPFEDSA-N 2 1 311.429 3.305 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430636974 530001671 /nfs/dbraw/zinc/00/16/71/530001671.db2.gz BNQYKNPRWVZBMM-MRXNPFEDSA-N 2 1 311.429 3.305 20 0 DGADMP C[N@H+](Cc1ccccc1OCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435622647 530003837 /nfs/dbraw/zinc/00/38/37/530003837.db2.gz FDGWISQGONNBMG-AWEZNQCLSA-N 2 1 316.367 3.202 20 0 DGADMP C[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435622647 530003839 /nfs/dbraw/zinc/00/38/39/530003839.db2.gz FDGWISQGONNBMG-AWEZNQCLSA-N 2 1 316.367 3.202 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000130000090 432012490 /nfs/dbraw/zinc/01/24/90/432012490.db2.gz SVDLQRSIENJRDS-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCC(C)CC1 ZINC000493953689 535023414 /nfs/dbraw/zinc/02/34/14/535023414.db2.gz WEKYLLYOHYIRBA-YDZRNGNQSA-N 2 1 320.521 3.290 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676450 210082123 /nfs/dbraw/zinc/08/21/23/210082123.db2.gz QYYPYRHHMWVDMA-AZUAARDMSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676450 210082124 /nfs/dbraw/zinc/08/21/24/210082124.db2.gz QYYPYRHHMWVDMA-AZUAARDMSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676450 210082127 /nfs/dbraw/zinc/08/21/27/210082127.db2.gz QYYPYRHHMWVDMA-AZUAARDMSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676450 210082128 /nfs/dbraw/zinc/08/21/28/210082128.db2.gz QYYPYRHHMWVDMA-AZUAARDMSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676450 210082131 /nfs/dbraw/zinc/08/21/31/210082131.db2.gz QYYPYRHHMWVDMA-AZUAARDMSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676450 210082133 /nfs/dbraw/zinc/08/21/33/210082133.db2.gz QYYPYRHHMWVDMA-AZUAARDMSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676450 210082135 /nfs/dbraw/zinc/08/21/35/210082135.db2.gz QYYPYRHHMWVDMA-AZUAARDMSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000105480775 432018689 /nfs/dbraw/zinc/01/86/89/432018689.db2.gz QYIOIEVSZQYZCP-WMZOPIPTSA-N 2 1 301.478 3.107 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000279733327 215100353 /nfs/dbraw/zinc/10/03/53/215100353.db2.gz NXUXGYINDJHKHH-DZFGPLHGSA-N 2 1 324.468 3.220 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCCO)CC1 ZINC000286934551 219232133 /nfs/dbraw/zinc/23/21/33/219232133.db2.gz AUFJDYGAPZXYHN-UHFFFAOYSA-N 2 1 304.478 3.182 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279864128 215189811 /nfs/dbraw/zinc/18/98/11/215189811.db2.gz JEVQUWPKXLOWIJ-ARFHVFGLSA-N 2 1 320.477 3.127 20 0 DGADMP Brc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868664 432023555 /nfs/dbraw/zinc/02/35/55/432023555.db2.gz BLJHXRWQEDGRSQ-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868664 432023557 /nfs/dbraw/zinc/02/35/57/432023557.db2.gz BLJHXRWQEDGRSQ-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868664 432023559 /nfs/dbraw/zinc/02/35/59/432023559.db2.gz BLJHXRWQEDGRSQ-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152433072 186072669 /nfs/dbraw/zinc/07/26/69/186072669.db2.gz CQIBVCCSSVICNV-DOTOQJQBSA-N 2 1 324.472 3.316 20 0 DGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152464416 186076090 /nfs/dbraw/zinc/07/60/90/186076090.db2.gz OSXGIFFYWNPEJO-CHWSQXEVSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152464416 186076092 /nfs/dbraw/zinc/07/60/92/186076092.db2.gz OSXGIFFYWNPEJO-CHWSQXEVSA-N 2 1 308.853 3.484 20 0 DGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OCC(C)C ZINC000177868758 186196322 /nfs/dbraw/zinc/19/63/22/186196322.db2.gz QRYXNAUULMZSIV-HNNXBMFYSA-N 2 1 320.477 3.475 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177902723 186201589 /nfs/dbraw/zinc/20/15/89/186201589.db2.gz QUXZWYGWEUXFIH-OCCSQVGLSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177902723 186201591 /nfs/dbraw/zinc/20/15/91/186201591.db2.gz QUXZWYGWEUXFIH-OCCSQVGLSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000268749421 186377416 /nfs/dbraw/zinc/37/74/16/186377416.db2.gz UBVJJARZFAWXQI-MJGOQNOKSA-N 2 1 317.521 3.074 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC1 ZINC000277204108 213364689 /nfs/dbraw/zinc/36/46/89/213364689.db2.gz JZUZNVCWMDZTJV-UHFFFAOYSA-N 2 1 308.416 3.460 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000277173663 213344951 /nfs/dbraw/zinc/34/49/51/213344951.db2.gz MXHBFQRVSZVNDB-GOSISDBHSA-N 2 1 311.429 3.093 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000277173663 213344955 /nfs/dbraw/zinc/34/49/55/213344955.db2.gz MXHBFQRVSZVNDB-GOSISDBHSA-N 2 1 311.429 3.093 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000173391445 198209967 /nfs/dbraw/zinc/20/99/67/198209967.db2.gz DWLLEVSZFKBWFC-MRXNPFEDSA-N 2 1 321.534 3.087 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000173491095 198219957 /nfs/dbraw/zinc/21/99/57/198219957.db2.gz HATIBKPQFSFYQW-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000173491095 198219960 /nfs/dbraw/zinc/21/99/60/198219960.db2.gz HATIBKPQFSFYQW-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491095 198219962 /nfs/dbraw/zinc/21/99/62/198219962.db2.gz HATIBKPQFSFYQW-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491095 198219964 /nfs/dbraw/zinc/21/99/64/198219964.db2.gz HATIBKPQFSFYQW-MJGOQNOKSA-N 2 1 304.478 3.134 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182061115 199381028 /nfs/dbraw/zinc/38/10/28/199381028.db2.gz AQALAOVSMVMTNV-GUYCJALGSA-N 2 1 317.408 3.470 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000174514685 198345367 /nfs/dbraw/zinc/34/53/67/198345367.db2.gz CGFCIXSLNCYCLM-OCCSQVGLSA-N 2 1 316.367 3.200 20 0 DGADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000131337346 432035129 /nfs/dbraw/zinc/03/51/29/432035129.db2.gz WIRPKCXKMUUSOT-IBGZPJMESA-N 2 1 323.440 3.139 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163551094 432036890 /nfs/dbraw/zinc/03/68/90/432036890.db2.gz VNCSFVOXSKTROP-ZWOKBUDYSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000163551094 432036893 /nfs/dbraw/zinc/03/68/93/432036893.db2.gz VNCSFVOXSKTROP-ZWOKBUDYSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163551094 432036897 /nfs/dbraw/zinc/03/68/97/432036897.db2.gz VNCSFVOXSKTROP-ZWOKBUDYSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000163551094 432036900 /nfs/dbraw/zinc/03/69/00/432036900.db2.gz VNCSFVOXSKTROP-ZWOKBUDYSA-N 2 1 317.521 3.347 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCO2 ZINC000131804421 432037073 /nfs/dbraw/zinc/03/70/73/432037073.db2.gz CVDVAJUTOYNBGK-LNRIEFBSSA-N 2 1 316.445 3.124 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423061905 283023874 /nfs/dbraw/zinc/02/38/74/283023874.db2.gz RWSWRZLLSOBADG-DXEWXGHRSA-N 2 1 304.409 3.160 20 0 DGADMP Cc1nc(-c2ccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)o2)cs1 ZINC000164408219 432047910 /nfs/dbraw/zinc/04/79/10/432047910.db2.gz PODWMYUOCADOQH-YPMHNXCESA-N 2 1 305.447 3.284 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)o2)cs1 ZINC000164408219 432047913 /nfs/dbraw/zinc/04/79/13/432047913.db2.gz PODWMYUOCADOQH-YPMHNXCESA-N 2 1 305.447 3.284 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000164588081 432049713 /nfs/dbraw/zinc/04/97/13/432049713.db2.gz YUUNSHDJAQHSIN-UHFFFAOYSA-N 3 1 318.509 3.358 20 0 DGADMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000166051159 432058462 /nfs/dbraw/zinc/05/84/62/432058462.db2.gz OFHSTLOAYFKIAU-UZLBHIALSA-N 2 1 314.473 3.371 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000236913957 202068404 /nfs/dbraw/zinc/06/84/04/202068404.db2.gz RHBKWYPPPRELQL-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000166539551 432061928 /nfs/dbraw/zinc/06/19/28/432061928.db2.gz KWYMSGFBSRUBTE-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179636155 432066080 /nfs/dbraw/zinc/06/60/80/432066080.db2.gz PMTAKTUBAKKMDX-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179636155 432066081 /nfs/dbraw/zinc/06/60/81/432066081.db2.gz PMTAKTUBAKKMDX-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000167850913 432066442 /nfs/dbraw/zinc/06/64/42/432066442.db2.gz MMEPOWQNQFECRC-RYRKJORJSA-N 2 1 303.494 3.188 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167858368 432066926 /nfs/dbraw/zinc/06/69/26/432066926.db2.gz PKMQKLOPNZQMCQ-RYRKJORJSA-N 2 1 303.494 3.046 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000167984170 432067689 /nfs/dbraw/zinc/06/76/89/432067689.db2.gz JWPZRTPGHQPZKA-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP CC(C)OCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389047 199027213 /nfs/dbraw/zinc/02/72/13/199027213.db2.gz CZSDLTSCGWVWJV-UHFFFAOYSA-N 2 1 319.493 3.435 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc(-c2ccccc2)cs1 ZINC000276740242 213077989 /nfs/dbraw/zinc/07/79/89/213077989.db2.gz ZAUUKGZERZIEIX-ZDUSSCGKSA-N 2 1 312.442 3.437 20 0 DGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000179491086 199044343 /nfs/dbraw/zinc/04/43/43/199044343.db2.gz XOFFXSNZHSFQQS-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000179491086 199044345 /nfs/dbraw/zinc/04/43/45/199044345.db2.gz XOFFXSNZHSFQQS-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180138476 199122566 /nfs/dbraw/zinc/12/25/66/199122566.db2.gz MUYKXIURSCQHAS-QFMLELGNSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000180640666 199190146 /nfs/dbraw/zinc/19/01/46/199190146.db2.gz ZUBNSUANAOFMRI-JXFKEZNVSA-N 2 1 310.441 3.104 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000237391286 202253487 /nfs/dbraw/zinc/25/34/87/202253487.db2.gz YNAWPTFZJIMCBU-LBPRGKRZSA-N 2 1 306.479 3.371 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000180095098 432078583 /nfs/dbraw/zinc/07/85/83/432078583.db2.gz AWBYAXZKKYSYHF-CVEARBPZSA-N 2 1 323.484 3.408 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000180194484 432080692 /nfs/dbraw/zinc/08/06/92/432080692.db2.gz HWYCMMFBLULXIX-CEXWTWQISA-N 2 1 314.473 3.056 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CCCC1 ZINC000415063932 237046470 /nfs/dbraw/zinc/04/64/70/237046470.db2.gz JGNCLJFTESPEGU-HNNXBMFYSA-N 2 1 316.367 3.235 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415039053 237028334 /nfs/dbraw/zinc/02/83/34/237028334.db2.gz IQQFJRNCSRRVLF-SJORKVTESA-N 2 1 318.461 3.058 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415051613 237032881 /nfs/dbraw/zinc/03/28/81/237032881.db2.gz MFVBXAJUIVDHHF-NVXWUHKLSA-N 2 1 324.415 3.295 20 0 DGADMP Cc1cccc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1Br ZINC000415102833 237080954 /nfs/dbraw/zinc/08/09/54/237080954.db2.gz JDOZZZOAXIYJES-GXTWGEPZSA-N 2 1 311.267 3.378 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC[NH2+]2)cc1 ZINC000415103681 237081183 /nfs/dbraw/zinc/08/11/83/237081183.db2.gz KRMPIGQZKDCYBD-UJWQCDCRSA-N 2 1 312.457 3.027 20 0 DGADMP Cc1cccc(OCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415109561 237084000 /nfs/dbraw/zinc/08/40/00/237084000.db2.gz PSBWYOTYGPZRCV-QUCCMNQESA-N 2 1 310.441 3.457 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415084829 237069215 /nfs/dbraw/zinc/06/92/15/237069215.db2.gz RPSPGCWBBBYIID-ZVDOUQERSA-N 2 1 321.468 3.348 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000415126703 237098359 /nfs/dbraw/zinc/09/83/59/237098359.db2.gz UXNMIMDOJXNBTN-DZIBYMRMSA-N 3 1 315.505 3.421 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CCCO1 ZINC000415113383 237088050 /nfs/dbraw/zinc/08/80/50/237088050.db2.gz RMICTAHUCITCFN-CYBMUJFWSA-N 2 1 320.433 3.104 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CCCO1 ZINC000415113383 237088056 /nfs/dbraw/zinc/08/80/56/237088056.db2.gz RMICTAHUCITCFN-CYBMUJFWSA-N 2 1 320.433 3.104 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838089 200020441 /nfs/dbraw/zinc/02/04/41/200020441.db2.gz WFXSNKDFEVAFIV-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838089 200020443 /nfs/dbraw/zinc/02/04/43/200020443.db2.gz WFXSNKDFEVAFIV-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838089 200020446 /nfs/dbraw/zinc/02/04/46/200020446.db2.gz WFXSNKDFEVAFIV-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838089 200020448 /nfs/dbraw/zinc/02/04/48/200020448.db2.gz WFXSNKDFEVAFIV-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000187727964 200149801 /nfs/dbraw/zinc/14/98/01/200149801.db2.gz BHPHTNMYRZVPBT-MRXNPFEDSA-N 2 1 310.445 3.232 20 0 DGADMP C[C@H](C[NH2+][C@@H](c1cncc(F)c1)C1CC1)C[NH+]1CCCCC1 ZINC000281101775 216078618 /nfs/dbraw/zinc/07/86/18/216078618.db2.gz BNSFODIQNZWNCC-RDTXWAMCSA-N 2 1 305.441 3.383 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134891463 432087971 /nfs/dbraw/zinc/08/79/71/432087971.db2.gz BAHIIMDFDRFBFF-VQIMIIECSA-N 2 1 300.446 3.144 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134891463 432087973 /nfs/dbraw/zinc/08/79/73/432087973.db2.gz BAHIIMDFDRFBFF-VQIMIIECSA-N 2 1 300.446 3.144 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134891463 432087976 /nfs/dbraw/zinc/08/79/76/432087976.db2.gz BAHIIMDFDRFBFF-VQIMIIECSA-N 2 1 300.446 3.144 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281172298 216129555 /nfs/dbraw/zinc/12/95/55/216129555.db2.gz HWVBQUBMVYBYNS-SFHVURJKSA-N 2 1 305.441 3.383 20 0 DGADMP Fc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134885816 432088604 /nfs/dbraw/zinc/08/86/04/432088604.db2.gz UNXINIXEBDYKRI-BEFAXECRSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134885816 432088606 /nfs/dbraw/zinc/08/86/06/432088606.db2.gz UNXINIXEBDYKRI-BEFAXECRSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134885816 432088609 /nfs/dbraw/zinc/08/86/09/432088609.db2.gz UNXINIXEBDYKRI-BEFAXECRSA-N 2 1 318.436 3.153 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000428037235 238007387 /nfs/dbraw/zinc/00/73/87/238007387.db2.gz JINPDSLQVVYQGB-UYAOXDASSA-N 2 1 310.441 3.293 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2)n1 ZINC000430608107 238081273 /nfs/dbraw/zinc/08/12/73/238081273.db2.gz DOBCTNVHIUGVNV-LPHOPBHVSA-N 2 1 312.461 3.191 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2)n1 ZINC000430608107 238081274 /nfs/dbraw/zinc/08/12/74/238081274.db2.gz DOBCTNVHIUGVNV-LPHOPBHVSA-N 2 1 312.461 3.191 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2)n1 ZINC000430608108 238081574 /nfs/dbraw/zinc/08/15/74/238081574.db2.gz DOBCTNVHIUGVNV-QFBILLFUSA-N 2 1 312.461 3.191 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2)n1 ZINC000430608108 238081575 /nfs/dbraw/zinc/08/15/75/238081575.db2.gz DOBCTNVHIUGVNV-QFBILLFUSA-N 2 1 312.461 3.191 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430652520 238082463 /nfs/dbraw/zinc/08/24/63/238082463.db2.gz XSRYEQRNUMKTBT-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430652520 238082464 /nfs/dbraw/zinc/08/24/64/238082464.db2.gz XSRYEQRNUMKTBT-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP C[C@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000430949869 238090779 /nfs/dbraw/zinc/09/07/79/238090779.db2.gz PDDHEVPENJSTPM-MAUKXSAKSA-N 2 1 304.478 3.422 20 0 DGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432406889 238127296 /nfs/dbraw/zinc/12/72/96/238127296.db2.gz JGNUCFSBDACRLP-IAGOWNOFSA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432406889 238127297 /nfs/dbraw/zinc/12/72/97/238127297.db2.gz JGNUCFSBDACRLP-IAGOWNOFSA-N 2 1 320.477 3.237 20 0 DGADMP Cc1cccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432425424 238128430 /nfs/dbraw/zinc/12/84/30/238128430.db2.gz VFWXIEPCQVABEW-OALUTQOASA-N 2 1 318.505 3.407 20 0 DGADMP Cc1cccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432425424 238128431 /nfs/dbraw/zinc/12/84/31/238128431.db2.gz VFWXIEPCQVABEW-OALUTQOASA-N 2 1 318.505 3.407 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433336776 238156143 /nfs/dbraw/zinc/15/61/43/238156143.db2.gz QMSCUPYHLRVMKX-HNNXBMFYSA-N 2 1 316.449 3.271 20 0 DGADMP COCCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434675868 238227441 /nfs/dbraw/zinc/22/74/41/238227441.db2.gz NVIGFQLSAAFGGW-UHFFFAOYSA-N 2 1 305.466 3.216 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCC(C)C ZINC000435435135 238305839 /nfs/dbraw/zinc/30/58/39/238305839.db2.gz AINVVHKWRCWXNW-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000435438753 238307507 /nfs/dbraw/zinc/30/75/07/238307507.db2.gz RAUNSHHPMSEGDD-MRXNPFEDSA-N 2 1 306.450 3.058 20 0 DGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000271892505 209301665 /nfs/dbraw/zinc/30/16/65/209301665.db2.gz SHPGUXBDEKNZJO-MRXNPFEDSA-N 2 1 304.434 3.006 20 0 DGADMP [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000333750570 283627477 /nfs/dbraw/zinc/62/74/77/283627477.db2.gz YXWDRCUGTSGOEC-XJKSGUPXSA-N 2 1 317.458 3.019 20 0 DGADMP C=Cn1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000193866629 201134253 /nfs/dbraw/zinc/13/42/53/201134253.db2.gz YAMYSCYYURAGAV-UHFFFAOYSA-N 2 1 324.472 3.328 20 0 DGADMP CCCOc1c(C[NH2+]CC2=CC[N@@H+](C)CC2)cccc1OCC ZINC000271868239 209281285 /nfs/dbraw/zinc/28/12/85/209281285.db2.gz WWCDDBNDNKYLLA-UHFFFAOYSA-N 2 1 318.461 3.226 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000194207237 201197388 /nfs/dbraw/zinc/19/73/88/201197388.db2.gz FFEKGJNFICJFJC-LJQANCHMSA-N 2 1 317.521 3.188 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000271868040 209280672 /nfs/dbraw/zinc/28/06/72/209280672.db2.gz LVPPOMSDIFGJQV-GFCCVEGCSA-N 2 1 318.852 3.139 20 0 DGADMP C[C@@H](CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000194449488 201228280 /nfs/dbraw/zinc/22/82/80/201228280.db2.gz LZLNREKXQHAJEH-PKOBYXMFSA-N 2 1 304.478 3.007 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@@H]1CCC=CO1 ZINC000194502964 201240345 /nfs/dbraw/zinc/24/03/45/201240345.db2.gz DSVUHLGBMGABFK-ZCQXEVHSSA-N 2 1 314.473 3.425 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000442758332 239120263 /nfs/dbraw/zinc/12/02/63/239120263.db2.gz AGFKQYJDZPRHQB-JKSUJKDBSA-N 2 1 304.478 3.422 20 0 DGADMP COCCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000442773072 239120408 /nfs/dbraw/zinc/12/04/08/239120408.db2.gz CCGXXVMTAOBQEZ-QGZVFWFLSA-N 2 1 305.397 3.088 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126713 432100325 /nfs/dbraw/zinc/10/03/25/432100325.db2.gz XYHXPNFKYDHQGL-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126713 432100331 /nfs/dbraw/zinc/10/03/31/432100331.db2.gz XYHXPNFKYDHQGL-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126713 432100337 /nfs/dbraw/zinc/10/03/37/432100337.db2.gz XYHXPNFKYDHQGL-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126713 432100341 /nfs/dbraw/zinc/10/03/41/432100341.db2.gz XYHXPNFKYDHQGL-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135126713 432100346 /nfs/dbraw/zinc/10/03/46/432100346.db2.gz XYHXPNFKYDHQGL-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC1(C)CC([NH2+]Cc2ccnn2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000449218281 240073287 /nfs/dbraw/zinc/07/32/87/240073287.db2.gz GYTBIJVNDFAXCZ-UHFFFAOYSA-N 2 1 304.482 3.397 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449221196 240075362 /nfs/dbraw/zinc/07/53/62/240075362.db2.gz SNDYWBPQISIARY-UHFFFAOYSA-N 2 1 306.450 3.060 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275405333 212312755 /nfs/dbraw/zinc/31/27/55/212312755.db2.gz CTLRKCOABNYTJC-ZFWWWQNUSA-N 2 1 303.837 3.320 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000449232519 240082520 /nfs/dbraw/zinc/08/25/20/240082520.db2.gz IHPRJLBDCWNGNX-GIYDNNGJSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc3ccoc32)CCCO1 ZINC000449282599 240109293 /nfs/dbraw/zinc/10/92/93/240109293.db2.gz IBBGHLBYZBMFAJ-HNNXBMFYSA-N 2 1 302.418 3.023 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC000449341305 240143709 /nfs/dbraw/zinc/14/37/09/240143709.db2.gz SXDMJATZRZJFAI-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC000449341305 240143713 /nfs/dbraw/zinc/14/37/13/240143713.db2.gz SXDMJATZRZJFAI-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc2ccccc21 ZINC000449341305 240143716 /nfs/dbraw/zinc/14/37/16/240143716.db2.gz SXDMJATZRZJFAI-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc2ccccc21 ZINC000449341305 240143722 /nfs/dbraw/zinc/14/37/22/240143722.db2.gz SXDMJATZRZJFAI-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325066 240132015 /nfs/dbraw/zinc/13/20/15/240132015.db2.gz JOOLCXQWAGOHOF-QWHCGFSZSA-N 2 1 305.372 3.291 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449643181 240341518 /nfs/dbraw/zinc/34/15/18/240341518.db2.gz YULRTMTXXWVOAF-BVBHFADKSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449643181 240341521 /nfs/dbraw/zinc/34/15/21/240341521.db2.gz YULRTMTXXWVOAF-BVBHFADKSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449727967 240383303 /nfs/dbraw/zinc/38/33/03/240383303.db2.gz SMAGJKYXQQJQAP-SJLPKXTDSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000449599682 240313325 /nfs/dbraw/zinc/31/33/25/240313325.db2.gz HNBPBKDPFTWHPS-DKSSEZFCSA-N 2 1 313.445 3.382 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1Br ZINC000091472129 193061284 /nfs/dbraw/zinc/06/12/84/193061284.db2.gz DZZLXLAIQLWHAH-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000451132011 241018561 /nfs/dbraw/zinc/01/85/61/241018561.db2.gz UDSFAUXIJDLACS-OALUTQOASA-N 2 1 309.542 3.209 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451508042 241150876 /nfs/dbraw/zinc/15/08/76/241150876.db2.gz VXBVMGHFFLUFSX-QZTJIDSGSA-N 2 1 313.445 3.165 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000268611542 432110549 /nfs/dbraw/zinc/11/05/49/432110549.db2.gz ZTMGXAIZPLYMNC-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@]1(CNCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]C1 ZINC000415118972 291389476 /nfs/dbraw/zinc/38/94/76/291389476.db2.gz KFFUXZDJKPEBQF-FQEVSTJZSA-N 2 1 315.505 3.152 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCCOC)cc2)CC1 ZINC000092165856 193169712 /nfs/dbraw/zinc/16/97/12/193169712.db2.gz OZGZHCFTZUGHLH-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCCOC)cc2)CC1 ZINC000092165856 193169714 /nfs/dbraw/zinc/16/97/14/193169714.db2.gz OZGZHCFTZUGHLH-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597870 284013191 /nfs/dbraw/zinc/01/31/91/284013191.db2.gz SWWVULZDJINUOW-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597870 284013192 /nfs/dbraw/zinc/01/31/92/284013192.db2.gz SWWVULZDJINUOW-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770217 284014369 /nfs/dbraw/zinc/01/43/69/284014369.db2.gz VHUAETQGGXIIJC-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770217 284014371 /nfs/dbraw/zinc/01/43/71/284014371.db2.gz VHUAETQGGXIIJC-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770217 284014373 /nfs/dbraw/zinc/01/43/73/284014373.db2.gz VHUAETQGGXIIJC-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770217 284014377 /nfs/dbraw/zinc/01/43/77/284014377.db2.gz VHUAETQGGXIIJC-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000093942343 284015324 /nfs/dbraw/zinc/01/53/24/284015324.db2.gz MAIQQZLFGWPACR-OTWHNJEPSA-N 2 1 309.542 3.209 20 0 DGADMP CSC[C@H]1CCC[N@H+]1CCC[NH+]1CCC[C@H]1CSC ZINC000135422465 432116890 /nfs/dbraw/zinc/11/68/90/432116890.db2.gz KANNSGGVUWPNBZ-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP CSC[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CSC ZINC000135422465 432116894 /nfs/dbraw/zinc/11/68/94/432116894.db2.gz KANNSGGVUWPNBZ-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP CSC[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1CSC ZINC000135422465 432116899 /nfs/dbraw/zinc/11/68/99/432116899.db2.gz KANNSGGVUWPNBZ-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP CCOc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423410 243363969 /nfs/dbraw/zinc/36/39/69/243363969.db2.gz JPQJJGWBKUJFDL-AAEUAGOBSA-N 2 1 312.841 3.017 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423410 243363971 /nfs/dbraw/zinc/36/39/71/243363971.db2.gz JPQJJGWBKUJFDL-AAEUAGOBSA-N 2 1 312.841 3.017 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC000111684386 284080437 /nfs/dbraw/zinc/08/04/37/284080437.db2.gz FCTILQKGWHXDOE-AWEZNQCLSA-N 2 1 308.470 3.137 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC000111684386 284080439 /nfs/dbraw/zinc/08/04/39/284080439.db2.gz FCTILQKGWHXDOE-AWEZNQCLSA-N 2 1 308.470 3.137 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000275117953 212130670 /nfs/dbraw/zinc/13/06/70/212130670.db2.gz JUYDNWKSVWMFJV-GTAWCEEGSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000275117953 212130673 /nfs/dbraw/zinc/13/06/73/212130673.db2.gz JUYDNWKSVWMFJV-GTAWCEEGSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000468963055 244076487 /nfs/dbraw/zinc/07/64/87/244076487.db2.gz MHNHILZUCWVTSP-FHWLQOOXSA-N 2 1 309.542 3.063 20 0 DGADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1C ZINC000469027906 244080155 /nfs/dbraw/zinc/08/01/55/244080155.db2.gz NDBLZFBBGFBADL-ZWKOTPCHSA-N 2 1 303.494 3.141 20 0 DGADMP COC1CC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000470260538 244162793 /nfs/dbraw/zinc/16/27/93/244162793.db2.gz DMCWFWVRVFFMPX-FLODPWGTSA-N 2 1 302.462 3.054 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000472293807 244295345 /nfs/dbraw/zinc/29/53/45/244295345.db2.gz NQKOQLQUGMWPFT-PKOBYXMFSA-N 2 1 304.478 3.489 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000472277322 244292733 /nfs/dbraw/zinc/29/27/33/244292733.db2.gz MXBJQLWTWOGVBD-PKOBYXMFSA-N 2 1 304.478 3.223 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058572 212098004 /nfs/dbraw/zinc/09/80/04/212098004.db2.gz YIQKLOFGZXPHRR-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058572 212098006 /nfs/dbraw/zinc/09/80/06/212098006.db2.gz YIQKLOFGZXPHRR-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Br)c1 ZINC000275058572 212098009 /nfs/dbraw/zinc/09/80/09/212098009.db2.gz YIQKLOFGZXPHRR-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1 ZINC000275058572 212098011 /nfs/dbraw/zinc/09/80/11/212098011.db2.gz YIQKLOFGZXPHRR-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452809 193253646 /nfs/dbraw/zinc/25/36/46/193253646.db2.gz FBYPXONYXQMGTL-VNQPRFMTSA-N 2 1 323.278 3.459 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](c1cccs1)[NH+](C)C ZINC000093513596 193260657 /nfs/dbraw/zinc/26/06/57/193260657.db2.gz JJQLHCVEQCNUES-OAGGEKHMSA-N 2 1 309.523 3.251 20 0 DGADMP Fc1ccc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093597016 193271924 /nfs/dbraw/zinc/27/19/24/193271924.db2.gz AOZNQZBXQNWMOD-CQSZACIVSA-N 2 1 302.393 3.490 20 0 DGADMP Fc1ccc2oc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093597016 193271926 /nfs/dbraw/zinc/27/19/26/193271926.db2.gz AOZNQZBXQNWMOD-CQSZACIVSA-N 2 1 302.393 3.490 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccsc2)CC1 ZINC000093769488 193302618 /nfs/dbraw/zinc/30/26/18/193302618.db2.gz LLLLOXFBAPTLKB-UHFFFAOYSA-N 2 1 310.507 3.319 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659986 193285338 /nfs/dbraw/zinc/28/53/38/193285338.db2.gz LAAOTHMQPKQESN-OAHLLOKOSA-N 2 1 318.490 3.444 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659986 193285340 /nfs/dbraw/zinc/28/53/40/193285340.db2.gz LAAOTHMQPKQESN-OAHLLOKOSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659986 193285342 /nfs/dbraw/zinc/28/53/42/193285342.db2.gz LAAOTHMQPKQESN-OAHLLOKOSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659986 193285343 /nfs/dbraw/zinc/28/53/43/193285343.db2.gz LAAOTHMQPKQESN-OAHLLOKOSA-N 2 1 318.490 3.444 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2)c1 ZINC000093683387 193288488 /nfs/dbraw/zinc/28/84/88/193288488.db2.gz XAFRWYZNSSBAQJ-IBGZPJMESA-N 2 1 324.472 3.180 20 0 DGADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2)c1 ZINC000093683387 193288490 /nfs/dbraw/zinc/28/84/90/193288490.db2.gz XAFRWYZNSSBAQJ-IBGZPJMESA-N 2 1 324.472 3.180 20 0 DGADMP C[C@H]1C[C@@H](NCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331742 284217595 /nfs/dbraw/zinc/21/75/95/284217595.db2.gz MHXZRMMLDCLNMG-SMDDNHRTSA-N 2 1 309.251 3.164 20 0 DGADMP C[C@H]1C[C@@H](NCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331742 284217596 /nfs/dbraw/zinc/21/75/96/284217596.db2.gz MHXZRMMLDCLNMG-SMDDNHRTSA-N 2 1 309.251 3.164 20 0 DGADMP C(=C\c1ccncc1)\C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000486989564 245011908 /nfs/dbraw/zinc/01/19/08/245011908.db2.gz MOKFGEFXHJBQEZ-HYXAFXHYSA-N 2 1 307.441 3.133 20 0 DGADMP C(=C\c1ccncc1)\C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000486989564 245011910 /nfs/dbraw/zinc/01/19/10/245011910.db2.gz MOKFGEFXHJBQEZ-HYXAFXHYSA-N 2 1 307.441 3.133 20 0 DGADMP C(=C/c1ccncc1)\C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000486939368 245001175 /nfs/dbraw/zinc/00/11/75/245001175.db2.gz NTEUXIVPZUSLRP-QPJJXVBHSA-N 2 1 307.441 3.349 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(CO)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913267 212028884 /nfs/dbraw/zinc/02/88/84/212028884.db2.gz NOTFZEUSWFFYIM-UWJYYQICSA-N 2 1 324.468 3.179 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000487492320 245065094 /nfs/dbraw/zinc/06/50/94/245065094.db2.gz OZAKDTSSEHSVKZ-UHFFFAOYSA-N 2 1 316.489 3.136 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000122903916 284228542 /nfs/dbraw/zinc/22/85/42/284228542.db2.gz HAEMIUDOBVEFHX-ROUUACIJSA-N 2 1 304.478 3.127 20 0 DGADMP CC(C)C1CCC([NH+]2CCN(CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000125171715 284270701 /nfs/dbraw/zinc/27/07/01/284270701.db2.gz BVUQCMLBRWPYRI-IOJLRTSASA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000282578565 217103434 /nfs/dbraw/zinc/10/34/34/217103434.db2.gz ZKZMUSLWPPCWCD-UHOSZYNNSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000282578565 217103437 /nfs/dbraw/zinc/10/34/37/217103437.db2.gz ZKZMUSLWPPCWCD-UHOSZYNNSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000274814310 211956644 /nfs/dbraw/zinc/95/66/44/211956644.db2.gz QYTRTOPSJUCRPU-HNNXBMFYSA-N 2 1 313.445 3.187 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000268732251 432126809 /nfs/dbraw/zinc/12/68/09/432126809.db2.gz MRMDCLCKLUSXRO-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000268732251 432126816 /nfs/dbraw/zinc/12/68/16/432126816.db2.gz MRMDCLCKLUSXRO-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000266101206 205098404 /nfs/dbraw/zinc/09/84/04/205098404.db2.gz KMKIPXWRRKZHGO-UHFFFAOYSA-N 2 1 311.429 3.366 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)no1 ZINC000282783100 217248485 /nfs/dbraw/zinc/24/84/85/217248485.db2.gz VVODKVIYJKIUQE-HNNXBMFYSA-N 2 1 317.433 3.164 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000127871767 284355403 /nfs/dbraw/zinc/35/54/03/284355403.db2.gz HYQVBHUYGMMPRB-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000127871767 284355405 /nfs/dbraw/zinc/35/54/05/284355405.db2.gz HYQVBHUYGMMPRB-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP CC(C)C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccs1 ZINC000128480764 284376765 /nfs/dbraw/zinc/37/67/65/284376765.db2.gz OIYUXJWKJQLYPU-KRWDZBQOSA-N 2 1 323.550 3.453 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000282998103 217377264 /nfs/dbraw/zinc/37/72/64/217377264.db2.gz NPJUBGWGMYDBOG-IBGZPJMESA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000282998103 217377266 /nfs/dbraw/zinc/37/72/66/217377266.db2.gz NPJUBGWGMYDBOG-IBGZPJMESA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000268791636 432133872 /nfs/dbraw/zinc/13/38/72/432133872.db2.gz GNXARJRKEWEKRF-BFYDXBDKSA-N 2 1 302.462 3.045 20 0 DGADMP CCCc1csc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)n1 ZINC000494360869 246138616 /nfs/dbraw/zinc/13/86/16/246138616.db2.gz ZAJICXKXGSXOBW-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP C[C@H]1[C@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000494905479 246208354 /nfs/dbraw/zinc/20/83/54/246208354.db2.gz UPNZGLBQNWRDOA-GXAQHZSOSA-N 2 1 316.489 3.430 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(Cl)c2)[C@H](C)C1 ZINC000246457447 432134833 /nfs/dbraw/zinc/13/48/33/432134833.db2.gz POYNAVIGOKCGQR-KEYYUXOJSA-N 2 1 310.869 3.427 20 0 DGADMP CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000494961429 246215926 /nfs/dbraw/zinc/21/59/26/246215926.db2.gz ZPRZZMVMDPZCLV-QGZVFWFLSA-N 2 1 320.452 3.388 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000268793814 432136452 /nfs/dbraw/zinc/13/64/52/432136452.db2.gz VVZLITFVMJFZSM-UAGQMJEPSA-N 2 1 318.461 3.290 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000268793814 432136455 /nfs/dbraw/zinc/13/64/55/432136455.db2.gz VVZLITFVMJFZSM-UAGQMJEPSA-N 2 1 318.461 3.290 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000268800919 432137601 /nfs/dbraw/zinc/13/76/01/432137601.db2.gz ANWMYAHOMDXHQE-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000268800919 432137603 /nfs/dbraw/zinc/13/76/03/432137603.db2.gz ANWMYAHOMDXHQE-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000268800919 432137596 /nfs/dbraw/zinc/13/75/96/432137596.db2.gz ANWMYAHOMDXHQE-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP CCC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000190270235 432138695 /nfs/dbraw/zinc/13/86/95/432138695.db2.gz WGTJZNZPYCMJDF-AEFFLSMTSA-N 2 1 302.462 3.341 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321124 296239029 /nfs/dbraw/zinc/23/90/29/296239029.db2.gz CIIPFWQVNOUVDN-UONOGXRCSA-N 2 1 308.853 3.088 20 0 DGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000267989887 206382084 /nfs/dbraw/zinc/38/20/84/206382084.db2.gz AAVNQAMPAQMLJM-UHFFFAOYSA-N 2 1 317.458 3.124 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)s1 ZINC000268852987 432144711 /nfs/dbraw/zinc/14/47/11/432144711.db2.gz CNPFGZDKAOIJDT-STQMWFEESA-N 2 1 316.898 3.289 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000268911047 432146836 /nfs/dbraw/zinc/14/68/36/432146836.db2.gz MXGUGESZUPXIMA-UIAACRFSSA-N 2 1 312.457 3.193 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000268936195 432147932 /nfs/dbraw/zinc/14/79/32/432147932.db2.gz YSBQVJQWARHSCH-QGZVFWFLSA-N 2 1 310.869 3.490 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000274026412 211285201 /nfs/dbraw/zinc/28/52/01/211285201.db2.gz CMTZCBMABYQJIN-UHFFFAOYSA-N 2 1 310.445 3.033 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000105443038 194104958 /nfs/dbraw/zinc/10/49/58/194104958.db2.gz VLDJDSXARKTGJS-OAHLLOKOSA-N 2 1 301.434 3.405 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000285394184 218413117 /nfs/dbraw/zinc/41/31/17/218413117.db2.gz WWONMPFCZMCSSM-UHFFFAOYSA-N 2 1 304.478 3.180 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268873792 207041941 /nfs/dbraw/zinc/04/19/41/207041941.db2.gz JSOJIWHRKXCNNZ-IYOUNJFTSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268885364 207055328 /nfs/dbraw/zinc/05/53/28/207055328.db2.gz NTWOABFPUHEPNS-DYESRHJHSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000268885364 207055331 /nfs/dbraw/zinc/05/53/31/207055331.db2.gz NTWOABFPUHEPNS-DYESRHJHSA-N 2 1 324.468 3.322 20 0 DGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268889093 207059316 /nfs/dbraw/zinc/05/93/16/207059316.db2.gz ZQHCSRKJOSUUOU-WBVHZDCISA-N 2 1 322.518 3.294 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268908466 207076756 /nfs/dbraw/zinc/07/67/56/207076756.db2.gz YIAMXBFKUODXML-HNNXBMFYSA-N 2 1 309.417 3.118 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268908469 207077792 /nfs/dbraw/zinc/07/77/92/207077792.db2.gz YIAMXBFKUODXML-OAHLLOKOSA-N 2 1 309.417 3.118 20 0 DGADMP CCCCc1noc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056522594 184014889 /nfs/dbraw/zinc/01/48/89/184014889.db2.gz XCZHHWUIQLTKBK-AWEZNQCLSA-N 2 1 308.470 3.137 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cscn1 ZINC000268975079 207136371 /nfs/dbraw/zinc/13/63/71/207136371.db2.gz NCMKIAFINKGIQV-CRAIPNDOSA-N 2 1 315.486 3.186 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601878 532984946 /nfs/dbraw/zinc/98/49/46/532984946.db2.gz VIAFDEMEDLSJNJ-VXGBXAGGSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601878 532984949 /nfs/dbraw/zinc/98/49/49/532984949.db2.gz VIAFDEMEDLSJNJ-VXGBXAGGSA-N 2 1 317.260 3.431 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000248995242 285044345 /nfs/dbraw/zinc/04/43/45/285044345.db2.gz GNWZRXWZMOBOEZ-CEXWTWQISA-N 2 1 307.526 3.056 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000429546239 533009755 /nfs/dbraw/zinc/00/97/55/533009755.db2.gz BIXCYXGKDJEOLX-HUUCEWRRSA-N 2 1 311.429 3.165 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000429546239 533009757 /nfs/dbraw/zinc/00/97/57/533009757.db2.gz BIXCYXGKDJEOLX-HUUCEWRRSA-N 2 1 311.429 3.165 20 0 DGADMP c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000269976406 208025580 /nfs/dbraw/zinc/02/55/80/208025580.db2.gz PUQBAYOUEAJJBL-AABGKKOBSA-N 2 1 313.489 3.040 20 0 DGADMP c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000269976407 208027160 /nfs/dbraw/zinc/02/71/60/208027160.db2.gz PUQBAYOUEAJJBL-UFYCRDLUSA-N 2 1 313.489 3.040 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249185193 285062135 /nfs/dbraw/zinc/06/21/35/285062135.db2.gz KJEBZPYLKZQFPY-GUDVDZBRSA-N 2 1 316.489 3.302 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000336852937 253007923 /nfs/dbraw/zinc/00/79/23/253007923.db2.gz BAESZCPOGASCJP-IPMKNSEASA-N 3 1 307.526 3.009 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccc1OC(C)C ZINC000336855311 253009119 /nfs/dbraw/zinc/00/91/19/253009119.db2.gz WFKGTXVDGJYXFX-GDBMZVCRSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000336855311 253009120 /nfs/dbraw/zinc/00/91/20/253009120.db2.gz WFKGTXVDGJYXFX-GDBMZVCRSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000336855311 253009122 /nfs/dbraw/zinc/00/91/22/253009122.db2.gz WFKGTXVDGJYXFX-GDBMZVCRSA-N 2 1 306.450 3.055 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000337167274 253057070 /nfs/dbraw/zinc/05/70/70/253057070.db2.gz CHTMZAKXZMMZIH-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000337167274 253057072 /nfs/dbraw/zinc/05/70/72/253057072.db2.gz CHTMZAKXZMMZIH-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000337167274 253057074 /nfs/dbraw/zinc/05/70/74/253057074.db2.gz CHTMZAKXZMMZIH-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000337167274 253057076 /nfs/dbraw/zinc/05/70/76/253057076.db2.gz CHTMZAKXZMMZIH-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000337167275 253057414 /nfs/dbraw/zinc/05/74/14/253057414.db2.gz CHTMZAKXZMMZIH-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000337167275 253057416 /nfs/dbraw/zinc/05/74/16/253057416.db2.gz CHTMZAKXZMMZIH-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000337167275 253057417 /nfs/dbraw/zinc/05/74/17/253057417.db2.gz CHTMZAKXZMMZIH-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000337167275 253057419 /nfs/dbraw/zinc/05/74/19/253057419.db2.gz CHTMZAKXZMMZIH-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000337538053 253135461 /nfs/dbraw/zinc/13/54/61/253135461.db2.gz ZHYMWAYTWYYCKK-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000337762493 253170685 /nfs/dbraw/zinc/17/06/85/253170685.db2.gz PZWOCDXKOUQODG-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000337762493 253170686 /nfs/dbraw/zinc/17/06/86/253170686.db2.gz PZWOCDXKOUQODG-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338023573 253211994 /nfs/dbraw/zinc/21/19/94/253211994.db2.gz SQGUBXRJFNIWQE-HUUCEWRRSA-N 2 1 301.434 3.372 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000337951024 253199390 /nfs/dbraw/zinc/19/93/90/253199390.db2.gz URKVJYGFHMXENO-UHFFFAOYSA-N 2 1 321.465 3.072 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000338007184 253208650 /nfs/dbraw/zinc/20/86/50/253208650.db2.gz KABSZABEEHYPOU-CQSZACIVSA-N 2 1 311.433 3.069 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000338007176 253208795 /nfs/dbraw/zinc/20/87/95/253208795.db2.gz KABSZABEEHYPOU-AWEZNQCLSA-N 2 1 311.433 3.069 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000252714719 285104299 /nfs/dbraw/zinc/10/42/99/285104299.db2.gz SSLFDMZOQBXJIZ-QMTHXVAHSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000252714719 285104301 /nfs/dbraw/zinc/10/43/01/285104301.db2.gz SSLFDMZOQBXJIZ-QMTHXVAHSA-N 2 1 315.230 3.018 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301409 253260858 /nfs/dbraw/zinc/26/08/58/253260858.db2.gz BHGAFCNDVFRKSI-ZBFHGGJFSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301409 253260860 /nfs/dbraw/zinc/26/08/60/253260860.db2.gz BHGAFCNDVFRKSI-ZBFHGGJFSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301409 253260862 /nfs/dbraw/zinc/26/08/62/253260862.db2.gz BHGAFCNDVFRKSI-ZBFHGGJFSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301409 253260865 /nfs/dbraw/zinc/26/08/65/253260865.db2.gz BHGAFCNDVFRKSI-ZBFHGGJFSA-N 2 1 313.445 3.163 20 0 DGADMP COCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159310772 197343721 /nfs/dbraw/zinc/34/37/21/197343721.db2.gz GUOKFMJXAYDROP-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159310772 197343722 /nfs/dbraw/zinc/34/37/22/197343722.db2.gz GUOKFMJXAYDROP-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159310772 197343724 /nfs/dbraw/zinc/34/37/24/197343724.db2.gz GUOKFMJXAYDROP-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)SCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000338358158 253272025 /nfs/dbraw/zinc/27/20/25/253272025.db2.gz VVBOFBIXLSFYHF-HDICACEKSA-N 2 1 304.503 3.192 20 0 DGADMP CC(C)SCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000338358158 253272028 /nfs/dbraw/zinc/27/20/28/253272028.db2.gz VVBOFBIXLSFYHF-HDICACEKSA-N 2 1 304.503 3.192 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158521141 197280267 /nfs/dbraw/zinc/28/02/67/197280267.db2.gz XQNAFDITASVHKZ-YJBOKZPZSA-N 2 1 306.425 3.011 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158521141 197280268 /nfs/dbraw/zinc/28/02/68/197280268.db2.gz XQNAFDITASVHKZ-YJBOKZPZSA-N 2 1 306.425 3.011 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158521141 197280269 /nfs/dbraw/zinc/28/02/69/197280269.db2.gz XQNAFDITASVHKZ-YJBOKZPZSA-N 2 1 306.425 3.011 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341254025 253774527 /nfs/dbraw/zinc/77/45/27/253774527.db2.gz DUCJMYXEXWYUOE-IEBWSBKVSA-N 2 1 302.462 3.056 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2ccnc2C)C12CCCCC2 ZINC000342606239 254016914 /nfs/dbraw/zinc/01/69/14/254016914.db2.gz KAEOGUHYKGZVOX-IAGOWNOFSA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606239 254016916 /nfs/dbraw/zinc/01/69/16/254016916.db2.gz KAEOGUHYKGZVOX-IAGOWNOFSA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606239 254016919 /nfs/dbraw/zinc/01/69/19/254016919.db2.gz KAEOGUHYKGZVOX-IAGOWNOFSA-N 2 1 305.466 3.251 20 0 DGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000342929326 254076190 /nfs/dbraw/zinc/07/61/90/254076190.db2.gz RDBZFVHGBXXDDM-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000342929326 254076192 /nfs/dbraw/zinc/07/61/92/254076192.db2.gz RDBZFVHGBXXDDM-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000342929326 254076195 /nfs/dbraw/zinc/07/61/95/254076195.db2.gz RDBZFVHGBXXDDM-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000342858705 254066061 /nfs/dbraw/zinc/06/60/61/254066061.db2.gz GEDPXCHVIRFBBW-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000342858705 254066063 /nfs/dbraw/zinc/06/60/63/254066063.db2.gz GEDPXCHVIRFBBW-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CCCCO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863129 254067286 /nfs/dbraw/zinc/06/72/86/254067286.db2.gz GMUFBGKLVXOQRD-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863129 254067290 /nfs/dbraw/zinc/06/72/90/254067290.db2.gz GMUFBGKLVXOQRD-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034131 254088911 /nfs/dbraw/zinc/08/89/11/254088911.db2.gz MHRQJTOMJCPNBY-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034131 254088913 /nfs/dbraw/zinc/08/89/13/254088913.db2.gz MHRQJTOMJCPNBY-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343116279 254102066 /nfs/dbraw/zinc/10/20/66/254102066.db2.gz GSSWBPAAWYOXTP-USXIJHARSA-N 2 1 320.477 3.097 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000343116279 254102068 /nfs/dbraw/zinc/10/20/68/254102068.db2.gz GSSWBPAAWYOXTP-USXIJHARSA-N 2 1 320.477 3.097 20 0 DGADMP COc1ccc2oc(C[N@H+](C)CCC[NH+]3CCCC3)cc2c1 ZINC000343595833 254165790 /nfs/dbraw/zinc/16/57/90/254165790.db2.gz ANELAGDRBRIWHQ-UHFFFAOYSA-N 2 1 302.418 3.359 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)CCC[NH+]3CCCC3)cc2c1 ZINC000343595833 254165791 /nfs/dbraw/zinc/16/57/91/254165791.db2.gz ANELAGDRBRIWHQ-UHFFFAOYSA-N 2 1 302.418 3.359 20 0 DGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cccc(-c3ccncc3)c1)C2 ZINC000344091516 254224213 /nfs/dbraw/zinc/22/42/13/254224213.db2.gz NRYRFZATZPKGRY-KRWDZBQOSA-N 2 1 318.424 3.297 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344136234 254230589 /nfs/dbraw/zinc/23/05/89/254230589.db2.gz MRFIXPUKVHQNKW-UYAOXDASSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344136234 254230590 /nfs/dbraw/zinc/23/05/90/254230590.db2.gz MRFIXPUKVHQNKW-UYAOXDASSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344197879 254238275 /nfs/dbraw/zinc/23/82/75/254238275.db2.gz NRFAKBQCAPXRBI-RLLQIKCJSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344197879 254238277 /nfs/dbraw/zinc/23/82/77/254238277.db2.gz NRFAKBQCAPXRBI-RLLQIKCJSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000343988929 254209839 /nfs/dbraw/zinc/20/98/39/254209839.db2.gz OYSAVQXWMCMQJA-MDZRGWNJSA-N 2 1 302.462 3.325 20 0 DGADMP COc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC(C)C ZINC000344623078 254289852 /nfs/dbraw/zinc/28/98/52/254289852.db2.gz HPOBBDMVDJOGQH-WBVHZDCISA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1OCC(C)C ZINC000344623078 254289854 /nfs/dbraw/zinc/28/98/54/254289854.db2.gz HPOBBDMVDJOGQH-WBVHZDCISA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC(C)C ZINC000344623078 254289856 /nfs/dbraw/zinc/28/98/56/254289856.db2.gz HPOBBDMVDJOGQH-WBVHZDCISA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC(C)C ZINC000344623078 254289857 /nfs/dbraw/zinc/28/98/57/254289857.db2.gz HPOBBDMVDJOGQH-WBVHZDCISA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC(C)C ZINC000344623075 254289947 /nfs/dbraw/zinc/28/99/47/254289947.db2.gz HPOBBDMVDJOGQH-NVXWUHKLSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1OCC(C)C ZINC000344623075 254289948 /nfs/dbraw/zinc/28/99/48/254289948.db2.gz HPOBBDMVDJOGQH-NVXWUHKLSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC(C)C ZINC000344623075 254289950 /nfs/dbraw/zinc/28/99/50/254289950.db2.gz HPOBBDMVDJOGQH-NVXWUHKLSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC(C)C ZINC000344623075 254289951 /nfs/dbraw/zinc/28/99/51/254289951.db2.gz HPOBBDMVDJOGQH-NVXWUHKLSA-N 2 1 320.477 3.302 20 0 DGADMP CCCCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000344633086 254291222 /nfs/dbraw/zinc/29/12/22/254291222.db2.gz QSYGYZNXFDXNDV-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000344633086 254291224 /nfs/dbraw/zinc/29/12/24/254291224.db2.gz QSYGYZNXFDXNDV-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000157075297 197159940 /nfs/dbraw/zinc/15/99/40/197159940.db2.gz QVZLGLYGKSIKJQ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000157075297 197159942 /nfs/dbraw/zinc/15/99/42/197159942.db2.gz QVZLGLYGKSIKJQ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157075297 197159943 /nfs/dbraw/zinc/15/99/43/197159943.db2.gz QVZLGLYGKSIKJQ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157075297 197159945 /nfs/dbraw/zinc/15/99/45/197159945.db2.gz QVZLGLYGKSIKJQ-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157146587 197165385 /nfs/dbraw/zinc/16/53/85/197165385.db2.gz VLHWEOSRYLOXFL-LJQANCHMSA-N 2 1 315.461 3.095 20 0 DGADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157146587 197165387 /nfs/dbraw/zinc/16/53/87/197165387.db2.gz VLHWEOSRYLOXFL-LJQANCHMSA-N 2 1 315.461 3.095 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344541697 254281220 /nfs/dbraw/zinc/28/12/20/254281220.db2.gz WFMWVBURGRZHLW-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344541697 254281221 /nfs/dbraw/zinc/28/12/21/254281221.db2.gz WFMWVBURGRZHLW-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(COC)o1 ZINC000344814510 254308253 /nfs/dbraw/zinc/30/82/53/254308253.db2.gz JVNDNZSXDAYUGL-MAUKXSAKSA-N 2 1 308.466 3.416 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OCC ZINC000345209392 254341148 /nfs/dbraw/zinc/34/11/48/254341148.db2.gz DMEWDGIPMKXQFH-CABCVRRESA-N 2 1 308.466 3.475 20 0 DGADMP c1coc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000261821730 285193190 /nfs/dbraw/zinc/19/31/90/285193190.db2.gz ARKYRTCBOAPDAW-HNNXBMFYSA-N 2 1 317.458 3.367 20 0 DGADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000154895297 197003473 /nfs/dbraw/zinc/00/34/73/197003473.db2.gz PHGOIQIBSGYXIJ-NVXWUHKLSA-N 2 1 320.477 3.099 20 0 DGADMP OC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000274021485 285241784 /nfs/dbraw/zinc/24/17/84/285241784.db2.gz PLGQONWYSFOBAO-NUVZVAJJSA-N 2 1 314.473 3.033 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)CCCO)cc1 ZINC000294808911 224235075 /nfs/dbraw/zinc/23/50/75/224235075.db2.gz NPLNKGGGBWPNGJ-HUUCEWRRSA-N 2 1 301.434 3.240 20 0 DGADMP CC[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000322513675 285307082 /nfs/dbraw/zinc/30/70/82/285307082.db2.gz AYLXREKFALQFPL-IBGZPJMESA-N 2 1 304.478 3.098 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535729 285353977 /nfs/dbraw/zinc/35/39/77/285353977.db2.gz UWGWXCCTQNKRQN-LJQANCHMSA-N 2 1 300.446 3.051 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535729 285353982 /nfs/dbraw/zinc/35/39/82/285353982.db2.gz UWGWXCCTQNKRQN-LJQANCHMSA-N 2 1 300.446 3.051 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121004656 195278470 /nfs/dbraw/zinc/27/84/70/195278470.db2.gz POHXBKPYLAGISX-PKOBYXMFSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000121004656 195278473 /nfs/dbraw/zinc/27/84/73/195278473.db2.gz POHXBKPYLAGISX-PKOBYXMFSA-N 2 1 324.472 3.206 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121696362 195331009 /nfs/dbraw/zinc/33/10/09/195331009.db2.gz XHVWUIPWFWDOIS-XDNAFOTISA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783193 195345531 /nfs/dbraw/zinc/34/55/31/195345531.db2.gz ZZWYPPJIVIECAW-QWQRMKEZSA-N 2 1 315.461 3.168 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783193 195345532 /nfs/dbraw/zinc/34/55/32/195345532.db2.gz ZZWYPPJIVIECAW-QWQRMKEZSA-N 2 1 315.461 3.168 20 0 DGADMP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802684 533341611 /nfs/dbraw/zinc/34/16/11/533341611.db2.gz SKWVJXHDIZLQJF-YWTNHNAXSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423260611 533536554 /nfs/dbraw/zinc/53/65/54/533536554.db2.gz HRFJKLMBTGDXPG-DNVCBOLYSA-N 2 1 312.461 3.431 20 0 DGADMP CSCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309978931 533566171 /nfs/dbraw/zinc/56/61/71/533566171.db2.gz UAAWYMYDABZKPI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309978931 533566175 /nfs/dbraw/zinc/56/61/75/533566175.db2.gz UAAWYMYDABZKPI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309978931 533566177 /nfs/dbraw/zinc/56/61/77/533566177.db2.gz UAAWYMYDABZKPI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309978927 533566248 /nfs/dbraw/zinc/56/62/48/533566248.db2.gz UAAWYMYDABZKPI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309978927 533566250 /nfs/dbraw/zinc/56/62/50/533566250.db2.gz UAAWYMYDABZKPI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309978927 533566254 /nfs/dbraw/zinc/56/62/54/533566254.db2.gz UAAWYMYDABZKPI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP C[C@@H](CCNC1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000297598837 533609024 /nfs/dbraw/zinc/60/90/24/533609024.db2.gz JUISQCCWOJEOFO-KRWDZBQOSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933610 132127756 /nfs/dbraw/zinc/12/77/56/132127756.db2.gz RYZPRVZWGZBYFK-XLIONFOSSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933610 132127757 /nfs/dbraw/zinc/12/77/57/132127757.db2.gz RYZPRVZWGZBYFK-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP COC(=O)c1cc([C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)oc1C ZINC000292598665 400094005 /nfs/dbraw/zinc/09/40/05/400094005.db2.gz KYYOVSTVBSBIIX-LLVKDONJSA-N 2 1 317.389 3.038 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000584809469 400106717 /nfs/dbraw/zinc/10/67/17/400106717.db2.gz JDNOHVZSOURHPN-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000584809469 400106724 /nfs/dbraw/zinc/10/67/24/400106724.db2.gz JDNOHVZSOURHPN-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000584809469 400106728 /nfs/dbraw/zinc/10/67/28/400106728.db2.gz JDNOHVZSOURHPN-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP Cc1cnccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584820276 400109296 /nfs/dbraw/zinc/10/92/96/400109296.db2.gz AKEWQYLEHUORON-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584820276 400109301 /nfs/dbraw/zinc/10/93/01/400109301.db2.gz AKEWQYLEHUORON-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584820276 400109310 /nfs/dbraw/zinc/10/93/10/400109310.db2.gz AKEWQYLEHUORON-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@H](C)O1 ZINC000091478524 400122988 /nfs/dbraw/zinc/12/29/88/400122988.db2.gz IHQLZPDTPCDPJI-OKILXGFUSA-N 2 1 323.868 3.061 20 0 DGADMP C[C@@H]1C[N@H+](CC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@H](C)O1 ZINC000091478524 400122993 /nfs/dbraw/zinc/12/29/93/400122993.db2.gz IHQLZPDTPCDPJI-OKILXGFUSA-N 2 1 323.868 3.061 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000066973471 400135284 /nfs/dbraw/zinc/13/52/84/400135284.db2.gz VVKCQDMYWBSNGX-UHFFFAOYSA-N 2 1 312.442 3.495 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000595827891 400272844 /nfs/dbraw/zinc/27/28/44/400272844.db2.gz SWZSRPRDALOSOX-UHFFFAOYSA-N 2 1 323.481 3.043 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000595827891 400272850 /nfs/dbraw/zinc/27/28/50/400272850.db2.gz SWZSRPRDALOSOX-UHFFFAOYSA-N 2 1 323.481 3.043 20 0 DGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595886588 400287469 /nfs/dbraw/zinc/28/74/69/400287469.db2.gz XBNNSLQNFPUFJK-IAGOWNOFSA-N 2 1 304.503 3.438 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000400684276 400290592 /nfs/dbraw/zinc/29/05/92/400290592.db2.gz XFFXHWPCFRHTNP-OALUTQOASA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000400684276 400290597 /nfs/dbraw/zinc/29/05/97/400290597.db2.gz XFFXHWPCFRHTNP-OALUTQOASA-N 2 1 316.489 3.303 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000401783640 400292030 /nfs/dbraw/zinc/29/20/30/400292030.db2.gz RTLYNJWXURTGSQ-UHFFFAOYSA-N 2 1 315.751 3.007 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cccc(Br)c1 ZINC000404235814 400294233 /nfs/dbraw/zinc/29/42/33/400294233.db2.gz SXMNSVZDUOISIC-UHFFFAOYSA-N 2 1 322.250 3.247 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000404235814 400294237 /nfs/dbraw/zinc/29/42/37/400294237.db2.gz SXMNSVZDUOISIC-UHFFFAOYSA-N 2 1 322.250 3.247 20 0 DGADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596093724 400315568 /nfs/dbraw/zinc/31/55/68/400315568.db2.gz FNOCCZGVZSIWGK-NVXWUHKLSA-N 2 1 324.509 3.066 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000069754311 400341064 /nfs/dbraw/zinc/34/10/64/400341064.db2.gz CCQUUULDHMFVCF-UHFFFAOYSA-N 2 1 315.389 3.420 20 0 DGADMP CCCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000069754149 400341189 /nfs/dbraw/zinc/34/11/89/400341189.db2.gz CMMAUZQYRVHVTC-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000115628705 400399358 /nfs/dbraw/zinc/39/93/58/400399358.db2.gz KHFJPNCXCCXGTA-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000611439305 400401972 /nfs/dbraw/zinc/40/19/72/400401972.db2.gz SXPAUXLMDDOANY-WMLDXEAASA-N 2 1 318.461 3.214 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000611439305 400401977 /nfs/dbraw/zinc/40/19/77/400401977.db2.gz SXPAUXLMDDOANY-WMLDXEAASA-N 2 1 318.461 3.214 20 0 DGADMP CC(=O)Nc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786398 400434558 /nfs/dbraw/zinc/43/45/58/400434558.db2.gz WDEINYJPICLAOQ-UHFFFAOYSA-N 2 1 317.477 3.197 20 0 DGADMP Fc1ccc(OCCC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000591081910 400484820 /nfs/dbraw/zinc/48/48/20/400484820.db2.gz BLNWHRJWMCEZJW-MRXNPFEDSA-N 2 1 303.381 3.128 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000591084222 400485399 /nfs/dbraw/zinc/48/53/99/400485399.db2.gz KWRJZEMVFRLGBK-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000591084222 400485402 /nfs/dbraw/zinc/48/54/02/400485402.db2.gz KWRJZEMVFRLGBK-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000591084222 400485407 /nfs/dbraw/zinc/48/54/07/400485407.db2.gz KWRJZEMVFRLGBK-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP Clc1ccc2nc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)cn2c1 ZINC000591867231 400567493 /nfs/dbraw/zinc/56/74/93/400567493.db2.gz MOWNOHMJRLIBCZ-OAHLLOKOSA-N 2 1 315.808 3.021 20 0 DGADMP Clc1ccc2nc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)cn2c1 ZINC000591867231 400567500 /nfs/dbraw/zinc/56/75/00/400567500.db2.gz MOWNOHMJRLIBCZ-OAHLLOKOSA-N 2 1 315.808 3.021 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)cn1 ZINC000591869465 400568172 /nfs/dbraw/zinc/56/81/72/400568172.db2.gz XRWDBUAKAYSSMH-SFHVURJKSA-N 2 1 319.412 3.177 20 0 DGADMP c1cn([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)cn1 ZINC000591869465 400568176 /nfs/dbraw/zinc/56/81/76/400568176.db2.gz XRWDBUAKAYSSMH-SFHVURJKSA-N 2 1 319.412 3.177 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000136310735 400591347 /nfs/dbraw/zinc/59/13/47/400591347.db2.gz BXTFVIVMBUMNJY-UHFFFAOYSA-N 2 1 312.392 3.401 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000136310735 400591351 /nfs/dbraw/zinc/59/13/51/400591351.db2.gz BXTFVIVMBUMNJY-UHFFFAOYSA-N 2 1 312.392 3.401 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150838417 400666464 /nfs/dbraw/zinc/66/64/64/400666464.db2.gz VDWBHCWEIUVJNL-GOSISDBHSA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150838417 400666472 /nfs/dbraw/zinc/66/64/72/400666472.db2.gz VDWBHCWEIUVJNL-GOSISDBHSA-N 2 1 302.462 3.046 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000603516817 400696902 /nfs/dbraw/zinc/69/69/02/400696902.db2.gz DEHCXQGPIJSBIF-LJQANCHMSA-N 2 1 302.462 3.036 20 0 DGADMP c1nc2ccc(C[NH2+]CCCCC[NH+]3CCCCC3)cc2[nH]1 ZINC000603516119 400697318 /nfs/dbraw/zinc/69/73/18/400697318.db2.gz KCBANHLKKQWODQ-UHFFFAOYSA-N 2 1 300.450 3.309 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598980031 400920070 /nfs/dbraw/zinc/92/00/70/400920070.db2.gz GKASVNZVCVCKEB-GJZGRUSLSA-N 2 1 312.498 3.063 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194500029 400920414 /nfs/dbraw/zinc/92/04/14/400920414.db2.gz SZEVRSAHGXMSTQ-KRWDZBQOSA-N 2 1 304.478 3.269 20 0 DGADMP COC(=O)CCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000599308815 401018980 /nfs/dbraw/zinc/01/89/80/401018980.db2.gz BOIIJYDRVOWEKP-KRWDZBQOSA-N 2 1 324.509 3.306 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000629656016 401019936 /nfs/dbraw/zinc/01/99/36/401019936.db2.gz MNLQKZOSTMBDIM-ZLDLUXBVSA-N 2 1 318.358 3.388 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317627 401020326 /nfs/dbraw/zinc/02/03/26/401020326.db2.gz TWKWFRSQMZOBPQ-HZPDHXFCSA-N 2 1 312.498 3.016 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629654921 401020675 /nfs/dbraw/zinc/02/06/75/401020675.db2.gz JOXLZAUGRSGJID-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629654921 401020682 /nfs/dbraw/zinc/02/06/82/401020682.db2.gz JOXLZAUGRSGJID-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000629561933 400977217 /nfs/dbraw/zinc/97/72/17/400977217.db2.gz KPHHKNQHEVXCNY-GJZGRUSLSA-N 2 1 322.415 3.042 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564829 400979540 /nfs/dbraw/zinc/97/95/40/400979540.db2.gz UNZDFHZEBOGJDV-HOTGVXAUSA-N 2 1 314.395 3.387 20 0 DGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000629707430 401051996 /nfs/dbraw/zinc/05/19/96/401051996.db2.gz LBPKYPGTADYKKV-LJQANCHMSA-N 2 1 312.461 3.273 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248146137 401066538 /nfs/dbraw/zinc/06/65/38/401066538.db2.gz QFHZRARSQLPOBK-CJNGLKHVSA-N 2 1 308.853 3.485 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000599317444 401021239 /nfs/dbraw/zinc/02/12/39/401021239.db2.gz BCTPVRINMCNPCC-GVDBMIGSSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000599317444 401021247 /nfs/dbraw/zinc/02/12/47/401021247.db2.gz BCTPVRINMCNPCC-GVDBMIGSSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000599317444 401021254 /nfs/dbraw/zinc/02/12/54/401021254.db2.gz BCTPVRINMCNPCC-GVDBMIGSSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000599317444 401021265 /nfs/dbraw/zinc/02/12/65/401021265.db2.gz BCTPVRINMCNPCC-GVDBMIGSSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000599317444 401021269 /nfs/dbraw/zinc/02/12/69/401021269.db2.gz BCTPVRINMCNPCC-GVDBMIGSSA-N 2 1 324.509 3.159 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC000607155531 401024688 /nfs/dbraw/zinc/02/46/88/401024688.db2.gz ICEHQKCMIAKIDS-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC000607155531 401024694 /nfs/dbraw/zinc/02/46/94/401024694.db2.gz ICEHQKCMIAKIDS-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC000607155531 401024699 /nfs/dbraw/zinc/02/46/99/401024699.db2.gz ICEHQKCMIAKIDS-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCc2ccc(OC)cc2)C[C@H]1C ZINC000607155533 401025046 /nfs/dbraw/zinc/02/50/46/401025046.db2.gz ICEHQKCMIAKIDS-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCc2ccc(OC)cc2)C[C@H]1C ZINC000607155533 401025050 /nfs/dbraw/zinc/02/50/50/401025050.db2.gz ICEHQKCMIAKIDS-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCc2ccc(OC)cc2)C[C@H]1C ZINC000607155533 401025055 /nfs/dbraw/zinc/02/50/55/401025055.db2.gz ICEHQKCMIAKIDS-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000060335542 401107922 /nfs/dbraw/zinc/10/79/22/401107922.db2.gz NSVYAVZLKQMFPW-SFHVURJKSA-N 2 1 317.477 3.341 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081658261 401087921 /nfs/dbraw/zinc/08/79/21/401087921.db2.gz PCTYHPSYSRYENA-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081658261 401087932 /nfs/dbraw/zinc/08/79/32/401087932.db2.gz PCTYHPSYSRYENA-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081658261 401087939 /nfs/dbraw/zinc/08/79/39/401087939.db2.gz PCTYHPSYSRYENA-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358236217 286006788 /nfs/dbraw/zinc/00/67/88/286006788.db2.gz AEMJQAYAGUXYCP-ROUUACIJSA-N 2 1 304.482 3.098 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358236217 286006790 /nfs/dbraw/zinc/00/67/90/286006790.db2.gz AEMJQAYAGUXYCP-ROUUACIJSA-N 2 1 304.482 3.098 20 0 DGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255552 286012448 /nfs/dbraw/zinc/01/24/48/286012448.db2.gz REOQAMCDVZVCHW-SJLPKXTDSA-N 2 1 324.896 3.474 20 0 DGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255552 286012450 /nfs/dbraw/zinc/01/24/50/286012450.db2.gz REOQAMCDVZVCHW-SJLPKXTDSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1CO ZINC000621373087 401190147 /nfs/dbraw/zinc/19/01/47/401190147.db2.gz BGDIEYNLBAEBID-XLIONFOSSA-N 2 1 316.489 3.123 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000600119963 401185189 /nfs/dbraw/zinc/18/51/89/401185189.db2.gz GQXWNKLEQCAWSP-HSALFYBXSA-N 2 1 321.553 3.303 20 0 DGADMP Cc1nccnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000621715021 401281226 /nfs/dbraw/zinc/28/12/26/401281226.db2.gz IAOFVKYBRJSJIJ-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1F ZINC000626126361 401306921 /nfs/dbraw/zinc/30/69/21/401306921.db2.gz MUVZEDHERUJIEM-HOTGVXAUSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1F ZINC000626126361 401306922 /nfs/dbraw/zinc/30/69/22/401306922.db2.gz MUVZEDHERUJIEM-HOTGVXAUSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1F ZINC000626126361 401306923 /nfs/dbraw/zinc/30/69/23/401306923.db2.gz MUVZEDHERUJIEM-HOTGVXAUSA-N 2 1 306.425 3.108 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@H]1C(F)(F)F ZINC000634688299 401335488 /nfs/dbraw/zinc/33/54/88/401335488.db2.gz OMLSMKWVZAYKKN-DZGCQCFKSA-N 2 1 323.362 3.194 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000634732489 401340801 /nfs/dbraw/zinc/34/08/01/401340801.db2.gz HPYXGLWEVLBPQV-IBGZPJMESA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634733124 401341160 /nfs/dbraw/zinc/34/11/60/401341160.db2.gz XIBAWXXWSLHBBV-NZSAHSFTSA-N 3 1 321.553 3.397 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1ccc2nccnc2c1)C1CCCCC1 ZINC000634950961 401386486 /nfs/dbraw/zinc/38/64/86/401386486.db2.gz IWPAEQAOQSPBMH-UHFFFAOYSA-N 2 1 312.461 3.374 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1ccc2nccnc2c1)C1CCCCC1 ZINC000634950961 401386488 /nfs/dbraw/zinc/38/64/88/401386488.db2.gz IWPAEQAOQSPBMH-UHFFFAOYSA-N 2 1 312.461 3.374 20 0 DGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000623356404 401498647 /nfs/dbraw/zinc/49/86/47/401498647.db2.gz NRMPVLBYMLMGKE-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000623356404 401498651 /nfs/dbraw/zinc/49/86/51/401498651.db2.gz NRMPVLBYMLMGKE-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000631578598 401503866 /nfs/dbraw/zinc/50/38/66/401503866.db2.gz XBTINYPEPRETGK-DNVCBOLYSA-N 2 1 302.462 3.393 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC(C)C ZINC000623655088 401562103 /nfs/dbraw/zinc/56/21/03/401562103.db2.gz OHDXBBJWRWWPAN-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623654957 401562600 /nfs/dbraw/zinc/56/26/00/401562600.db2.gz KYUIQOWIBUTPEE-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000623657501 401562945 /nfs/dbraw/zinc/56/29/45/401562945.db2.gz SADGHKBEPDHBNQ-GOSISDBHSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656207 401563323 /nfs/dbraw/zinc/56/33/23/401563323.db2.gz PDXCLXMZQYAPBL-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623656207 401563324 /nfs/dbraw/zinc/56/33/24/401563324.db2.gz PDXCLXMZQYAPBL-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP Cc1nc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]c1C ZINC000628272877 401565372 /nfs/dbraw/zinc/56/53/72/401565372.db2.gz ATDMZLHHNJVWPF-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1ccc([C@H](C)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000628278060 401565586 /nfs/dbraw/zinc/56/55/86/401565586.db2.gz XJCDPQWBTZYYDS-GOSISDBHSA-N 2 1 317.521 3.056 20 0 DGADMP Cc1csc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC000623865841 401590501 /nfs/dbraw/zinc/59/05/01/401590501.db2.gz CJCQZKNUSAJUDD-AWEZNQCLSA-N 2 1 319.474 3.243 20 0 DGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000623888730 401594420 /nfs/dbraw/zinc/59/44/20/401594420.db2.gz RMUZIVNKCCVFRM-FQEVSTJZSA-N 2 1 317.521 3.372 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1F ZINC000628425873 401596100 /nfs/dbraw/zinc/59/61/00/401596100.db2.gz YHUXKXYVJRVIIR-WBVHZDCISA-N 2 1 322.468 3.334 20 0 DGADMP c1[nH]nc2cccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c12 ZINC000628190865 401546525 /nfs/dbraw/zinc/54/65/25/401546525.db2.gz STTAQPFLOMUJOA-DNVCBOLYSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c12 ZINC000628190865 401546527 /nfs/dbraw/zinc/54/65/27/401546527.db2.gz STTAQPFLOMUJOA-DNVCBOLYSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000628190865 401546529 /nfs/dbraw/zinc/54/65/29/401546529.db2.gz STTAQPFLOMUJOA-DNVCBOLYSA-N 2 1 310.445 3.012 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000628202175 401549883 /nfs/dbraw/zinc/54/98/83/401549883.db2.gz KKNBGJHFTHHHFR-AWEZNQCLSA-N 2 1 312.379 3.322 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000628211104 401551161 /nfs/dbraw/zinc/55/11/61/401551161.db2.gz WRCUHBNUQFFEIB-AWEZNQCLSA-N 2 1 309.335 3.049 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628214608 401552498 /nfs/dbraw/zinc/55/24/98/401552498.db2.gz FGXDHCBYQNSBTJ-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628223623 401553843 /nfs/dbraw/zinc/55/38/43/401553843.db2.gz LQRUTXWUGGDYPJ-SWLSCSKDSA-N 2 1 300.368 3.320 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)[C@@H]1CCC[NH3+] ZINC000631829438 401559380 /nfs/dbraw/zinc/55/93/80/401559380.db2.gz QQLYKOJEZPNNES-DNVCBOLYSA-N 2 1 302.462 3.099 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121136 401628556 /nfs/dbraw/zinc/62/85/56/401628556.db2.gz OSXBNYKQVPWLAA-MJGOQNOKSA-N 2 1 322.468 3.095 20 0 DGADMP COC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624123336 401628910 /nfs/dbraw/zinc/62/89/10/401628910.db2.gz KCOVBZXKZUHUPD-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000624123336 401628911 /nfs/dbraw/zinc/62/89/11/401628911.db2.gz KCOVBZXKZUHUPD-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624123336 401628912 /nfs/dbraw/zinc/62/89/12/401628912.db2.gz KCOVBZXKZUHUPD-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624124115 401629810 /nfs/dbraw/zinc/62/98/10/401629810.db2.gz XSFGSFBSMGAPDT-CVEARBPZSA-N 2 1 320.477 3.395 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1C(C)(C)C ZINC000624123730 401629850 /nfs/dbraw/zinc/62/98/50/401629850.db2.gz ROKTYZQINRXGQZ-ZBFHGGJFSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000624123730 401629851 /nfs/dbraw/zinc/62/98/51/401629851.db2.gz ROKTYZQINRXGQZ-ZBFHGGJFSA-N 2 1 306.498 3.329 20 0 DGADMP Fc1ccc(-c2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)on2)cc1 ZINC000358517995 286082492 /nfs/dbraw/zinc/08/24/92/286082492.db2.gz QSEJGXFNDVWYKI-UHFFFAOYSA-N 2 1 315.392 3.056 20 0 DGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397346 401683857 /nfs/dbraw/zinc/68/38/57/401683857.db2.gz ZVLMABBWTDGMQS-IPYPFGDCSA-N 2 1 312.404 3.339 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711396 286130534 /nfs/dbraw/zinc/13/05/34/286130534.db2.gz GUNDWLFMZJWMOV-XLIONFOSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000358711396 286130535 /nfs/dbraw/zinc/13/05/35/286130535.db2.gz GUNDWLFMZJWMOV-XLIONFOSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000358835803 286165223 /nfs/dbraw/zinc/16/52/23/286165223.db2.gz VKSCZEUJPGPAFK-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000358835803 286165225 /nfs/dbraw/zinc/16/52/25/286165225.db2.gz VKSCZEUJPGPAFK-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[NH+](C)[C@@]1(CNc2cc[nH+]c3ccc(Cl)cc23)CCSC1 ZINC000359016810 286216097 /nfs/dbraw/zinc/21/60/97/286216097.db2.gz ICFMQPWUTGUVBK-MRXNPFEDSA-N 2 1 321.877 3.159 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000359117810 286240998 /nfs/dbraw/zinc/24/09/98/286240998.db2.gz SXIIQXNYKVXFHZ-BTHPGYMESA-N 2 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359117271 286241089 /nfs/dbraw/zinc/24/10/89/286241089.db2.gz SHBDEQFVVBZTPE-LMCOJAPRSA-N 2 1 319.537 3.246 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000359684061 286360362 /nfs/dbraw/zinc/36/03/62/286360362.db2.gz KBPUQEJDFSAHJV-IBGZPJMESA-N 2 1 304.478 3.086 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000359684061 286360364 /nfs/dbraw/zinc/36/03/64/286360364.db2.gz KBPUQEJDFSAHJV-IBGZPJMESA-N 2 1 304.478 3.086 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000362292390 286796364 /nfs/dbraw/zinc/79/63/64/286796364.db2.gz ARBPLPKOOXIDKR-YJBOKZPZSA-N 2 1 304.482 3.036 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000364358395 287017937 /nfs/dbraw/zinc/01/79/37/287017937.db2.gz LSHHSFCZSBSQJT-VAMGGRTRSA-N 2 1 321.553 3.303 20 0 DGADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000185636997 165011163 /nfs/dbraw/zinc/01/11/63/165011163.db2.gz KGFGUYXBQZFCBD-RPVQJOFSSA-N 2 1 315.461 3.134 20 0 DGADMP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000192664960 165300984 /nfs/dbraw/zinc/30/09/84/165300984.db2.gz FZTUFVPDIGPSDZ-HQSKLWIPSA-N 2 1 321.534 3.346 20 0 DGADMP CCN(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000192664960 165300986 /nfs/dbraw/zinc/30/09/86/165300986.db2.gz FZTUFVPDIGPSDZ-HQSKLWIPSA-N 2 1 321.534 3.346 20 0 DGADMP CCN(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000192664960 165300989 /nfs/dbraw/zinc/30/09/89/165300989.db2.gz FZTUFVPDIGPSDZ-HQSKLWIPSA-N 2 1 321.534 3.346 20 0 DGADMP CC(C)COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192713012 165304098 /nfs/dbraw/zinc/30/40/98/165304098.db2.gz HCAQIILNKUAFEY-AYHJJNSGSA-N 2 1 302.462 3.436 20 0 DGADMP CC(C)COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192713012 165304101 /nfs/dbraw/zinc/30/41/01/165304101.db2.gz HCAQIILNKUAFEY-AYHJJNSGSA-N 2 1 302.462 3.436 20 0 DGADMP CN(C)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1 ZINC000192918571 165310088 /nfs/dbraw/zinc/31/00/88/165310088.db2.gz OZEFCTTUKDQKAX-ALOPSCKCSA-N 2 1 324.472 3.016 20 0 DGADMP CC(C)n1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192933445 165310914 /nfs/dbraw/zinc/31/09/14/165310914.db2.gz VJYUCIZYYXOXSD-SFHVURJKSA-N 2 1 312.461 3.076 20 0 DGADMP CC(C)n1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192933445 165310920 /nfs/dbraw/zinc/31/09/20/165310920.db2.gz VJYUCIZYYXOXSD-SFHVURJKSA-N 2 1 312.461 3.076 20 0 DGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1C ZINC000193014860 165314855 /nfs/dbraw/zinc/31/48/55/165314855.db2.gz HQCRXSSDFFUAJR-FBVQUNGASA-N 2 1 302.462 3.367 20 0 DGADMP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000195340810 165367774 /nfs/dbraw/zinc/36/77/74/165367774.db2.gz BFOZSSVRTYPVTH-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261596019 287139083 /nfs/dbraw/zinc/13/90/83/287139083.db2.gz ACXOHGIRHAATCJ-SMDDNHRTSA-N 2 1 302.340 3.317 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)oc2c1 ZINC000365986574 287195673 /nfs/dbraw/zinc/19/56/73/287195673.db2.gz ZKOSFEYZGVCVDQ-NSHDSACASA-N 2 1 300.337 3.070 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)oc2c1 ZINC000365986573 287195765 /nfs/dbraw/zinc/19/57/65/287195765.db2.gz ZKOSFEYZGVCVDQ-LLVKDONJSA-N 2 1 300.337 3.070 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000181941604 432150721 /nfs/dbraw/zinc/15/07/21/432150721.db2.gz NFMSAUJRQPXWHP-GUYCJALGSA-N 2 1 304.409 3.113 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130871 432153192 /nfs/dbraw/zinc/15/31/92/432153192.db2.gz KNSKYEAOPOHIMA-GOEBONIOSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130871 432153195 /nfs/dbraw/zinc/15/31/95/432153195.db2.gz KNSKYEAOPOHIMA-GOEBONIOSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130871 432153197 /nfs/dbraw/zinc/15/31/97/432153197.db2.gz KNSKYEAOPOHIMA-GOEBONIOSA-N 2 1 310.388 3.204 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC[N@H+]1C ZINC000246844630 432171764 /nfs/dbraw/zinc/17/17/64/432171764.db2.gz CHUQCWGMSPZSEZ-LULLPPNCSA-N 2 1 302.462 3.227 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246825108 432168900 /nfs/dbraw/zinc/16/89/00/432168900.db2.gz BJZBZRBZYJKFKM-GPMSIDNRSA-N 2 1 304.478 3.432 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137070655 432170532 /nfs/dbraw/zinc/17/05/32/432170532.db2.gz DHAWWHJUKLKAQK-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCC1 ZINC000246928307 432181406 /nfs/dbraw/zinc/18/14/06/432181406.db2.gz GZVCNTOYGMSASV-PXNSSMCTSA-N 2 1 315.505 3.143 20 0 DGADMP Cc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246967299 432186814 /nfs/dbraw/zinc/18/68/14/432186814.db2.gz VFRCHVFISWRLPU-FXAWDEMLSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246967299 432186815 /nfs/dbraw/zinc/18/68/15/432186815.db2.gz VFRCHVFISWRLPU-FXAWDEMLSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246967299 432186820 /nfs/dbraw/zinc/18/68/20/432186820.db2.gz VFRCHVFISWRLPU-FXAWDEMLSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000247152425 432207885 /nfs/dbraw/zinc/20/78/85/432207885.db2.gz XDMXATIRGGEMQR-IDCNUPLLSA-N 2 1 319.493 3.043 20 0 DGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000247192757 432211112 /nfs/dbraw/zinc/21/11/12/432211112.db2.gz VVPMGYLKVRZAQT-ROUUACIJSA-N 2 1 316.489 3.116 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)cc1Br ZINC000269847857 432215322 /nfs/dbraw/zinc/21/53/22/432215322.db2.gz FACXHMRZHGLZSE-UHFFFAOYSA-N 2 1 322.250 3.442 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000131392263 196164109 /nfs/dbraw/zinc/16/41/09/196164109.db2.gz BMGZMYDQDUPEGN-OAHLLOKOSA-N 2 1 319.449 3.026 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191166368 432228315 /nfs/dbraw/zinc/22/83/15/432228315.db2.gz MKBUXYAVYGHNES-DZGCQCFKSA-N 2 1 304.482 3.081 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2scnc2C)CC1 ZINC000172538419 432219685 /nfs/dbraw/zinc/21/96/85/432219685.db2.gz GXVPHIIQGRFTST-UHFFFAOYSA-N 2 1 309.523 3.438 20 0 DGADMP CCOc1ccc(C(C)=O)cc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172584032 432220858 /nfs/dbraw/zinc/22/08/58/432220858.db2.gz ICMNUDBEXUAAGZ-MRXNPFEDSA-N 2 1 318.461 3.062 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000182750140 432224466 /nfs/dbraw/zinc/22/44/66/432224466.db2.gz KDADBZRCECCQOE-UHFFFAOYSA-N 2 1 319.493 3.042 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000132439832 196256440 /nfs/dbraw/zinc/25/64/40/196256440.db2.gz DQHIETQYUWLWBO-SFHVURJKSA-N 2 1 304.503 3.179 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCN(C)c2ccccc2)[C@H](C)C1 ZINC000132448096 196256862 /nfs/dbraw/zinc/25/68/62/196256862.db2.gz HMYDLFIGKKUXFM-IEBWSBKVSA-N 2 1 303.494 3.223 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422762575 287345264 /nfs/dbraw/zinc/34/52/64/287345264.db2.gz OAAIUTLXGIOUDH-OLMNPRSZSA-N 2 1 301.478 3.231 20 0 DGADMP CCC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000119680441 545881803 /nfs/dbraw/zinc/88/18/03/545881803.db2.gz HSZASTCOTDJAIS-DLBZAZTESA-N 3 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000119680441 545881807 /nfs/dbraw/zinc/88/18/07/545881807.db2.gz HSZASTCOTDJAIS-DLBZAZTESA-N 3 1 307.526 3.103 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129443216 545942084 /nfs/dbraw/zinc/94/20/84/545942084.db2.gz GYVWBVBGMDXCIC-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129443216 545942086 /nfs/dbraw/zinc/94/20/86/545942086.db2.gz GYVWBVBGMDXCIC-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP [NH3+]C1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020266869 263498017 /nfs/dbraw/zinc/49/80/17/263498017.db2.gz RCLVLDLYPIVZCG-UHFFFAOYSA-N 2 1 312.413 3.281 20 0 DGADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346362154 264017903 /nfs/dbraw/zinc/01/79/03/264017903.db2.gz LFMGHFASJUKLFK-ROUUACIJSA-N 2 1 314.473 3.333 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCO1 ZINC000346546653 264051062 /nfs/dbraw/zinc/05/10/62/264051062.db2.gz BRXWMCHLDNQTNQ-UXLLHSPISA-N 2 1 308.491 3.117 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCO1 ZINC000346546653 264051065 /nfs/dbraw/zinc/05/10/65/264051065.db2.gz BRXWMCHLDNQTNQ-UXLLHSPISA-N 2 1 308.491 3.117 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCO1 ZINC000346546662 264051238 /nfs/dbraw/zinc/05/12/38/264051238.db2.gz BRXWMCHLDNQTNQ-ZMSDIMECSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCO1 ZINC000346546662 264051241 /nfs/dbraw/zinc/05/12/41/264051241.db2.gz BRXWMCHLDNQTNQ-ZMSDIMECSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCCO1 ZINC000346563776 264055035 /nfs/dbraw/zinc/05/50/35/264055035.db2.gz REPPAYVLSMHFJZ-TXPKVOOTSA-N 2 1 302.462 3.369 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCCC(C)C ZINC000346630731 264068786 /nfs/dbraw/zinc/06/87/86/264068786.db2.gz CHWMUMGIHKKCTO-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000346636934 264070719 /nfs/dbraw/zinc/07/07/19/264070719.db2.gz IJARKBORGAUIQP-WBVHZDCISA-N 2 1 311.429 3.351 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346663741 264075829 /nfs/dbraw/zinc/07/58/29/264075829.db2.gz CECNXXPYGCQODS-JKSUJKDBSA-N 2 1 312.461 3.165 20 0 DGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCC(C)C ZINC000346682590 264079240 /nfs/dbraw/zinc/07/92/40/264079240.db2.gz ODMBEJUSYOZFIK-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346684864 264079326 /nfs/dbraw/zinc/07/93/26/264079326.db2.gz RVFTWSGPNYGXGP-UHFFFAOYSA-N 2 1 320.868 3.251 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346684864 264079327 /nfs/dbraw/zinc/07/93/27/264079327.db2.gz RVFTWSGPNYGXGP-UHFFFAOYSA-N 2 1 320.868 3.251 20 0 DGADMP CCCOc1c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cccc1OCC ZINC000346692609 264080268 /nfs/dbraw/zinc/08/02/68/264080268.db2.gz HVJONAPCEOAWOS-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cccc1OCC ZINC000346692609 264080270 /nfs/dbraw/zinc/08/02/70/264080270.db2.gz HVJONAPCEOAWOS-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346692788 264080333 /nfs/dbraw/zinc/08/03/33/264080333.db2.gz IWPYPKRWQMZNIE-JKSUJKDBSA-N 2 1 312.461 3.165 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]12 ZINC000346814329 264103238 /nfs/dbraw/zinc/10/32/38/264103238.db2.gz ASWMBOFKZRMUAV-ATZDWAIDSA-N 2 1 300.446 3.177 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)s2)cc1 ZINC000346840134 264107291 /nfs/dbraw/zinc/10/72/91/264107291.db2.gz ZLZVGEYGZKZQSV-XIRDDKMYSA-N 2 1 313.470 3.288 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346852731 264109075 /nfs/dbraw/zinc/10/90/75/264109075.db2.gz LDRIIIIDDPHFID-YESZJQIVSA-N 2 1 318.461 3.043 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346851209 264109598 /nfs/dbraw/zinc/10/95/98/264109598.db2.gz QVKIONDIQXNFFX-MAUKXSAKSA-N 2 1 312.461 3.193 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346851209 264109601 /nfs/dbraw/zinc/10/96/01/264109601.db2.gz QVKIONDIQXNFFX-MAUKXSAKSA-N 2 1 312.461 3.193 20 0 DGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346970954 264130267 /nfs/dbraw/zinc/13/02/67/264130267.db2.gz GOQDCGKOJYBKGM-LSDHHAIUSA-N 2 1 307.507 3.446 20 0 DGADMP CCCOc1c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000347003374 264138365 /nfs/dbraw/zinc/13/83/65/264138365.db2.gz LBYORTQMWDQHDV-JKSUJKDBSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000347003374 264138367 /nfs/dbraw/zinc/13/83/67/264138367.db2.gz LBYORTQMWDQHDV-JKSUJKDBSA-N 2 1 320.477 3.433 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCOC2CCC2)CC1)CC1CC1 ZINC000347013997 264139816 /nfs/dbraw/zinc/13/98/16/264139816.db2.gz QKVKDYSPBSQLRE-UHFFFAOYSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347015424 264140108 /nfs/dbraw/zinc/14/01/08/264140108.db2.gz JAWJTBSJHGIKGZ-JJTKIYQPSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347015424 264140110 /nfs/dbraw/zinc/14/01/10/264140110.db2.gz JAWJTBSJHGIKGZ-JJTKIYQPSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347018037 264141386 /nfs/dbraw/zinc/14/13/86/264141386.db2.gz LDSNETDKTFJGEI-CQSZACIVSA-N 2 1 318.852 3.005 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347018037 264141389 /nfs/dbraw/zinc/14/13/89/264141389.db2.gz LDSNETDKTFJGEI-CQSZACIVSA-N 2 1 318.852 3.005 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000347046602 264147029 /nfs/dbraw/zinc/14/70/29/264147029.db2.gz OTXTYKWTAFYLJL-ZFWWWQNUSA-N 2 1 312.404 3.464 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347050543 264147808 /nfs/dbraw/zinc/14/78/08/264147808.db2.gz QVUVVDJFMXKWDK-GXTWGEPZSA-N 2 1 316.367 3.187 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347066408 264150782 /nfs/dbraw/zinc/15/07/82/264150782.db2.gz ZVYWMTSVRGUFDK-MSOLQXFVSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347066408 264150783 /nfs/dbraw/zinc/15/07/83/264150783.db2.gz ZVYWMTSVRGUFDK-MSOLQXFVSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347066408 264150785 /nfs/dbraw/zinc/15/07/85/264150785.db2.gz ZVYWMTSVRGUFDK-MSOLQXFVSA-N 2 1 324.896 3.050 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347086280 264154047 /nfs/dbraw/zinc/15/40/47/264154047.db2.gz DTUSHINUCKEXFG-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347087231 264154244 /nfs/dbraw/zinc/15/42/44/264154244.db2.gz DNVOBFKZSKMMRH-KRWDZBQOSA-N 2 1 320.440 3.196 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347127266 264161400 /nfs/dbraw/zinc/16/14/00/264161400.db2.gz UYOJKTFZNLSGDT-MRXNPFEDSA-N 2 1 318.804 3.397 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)s2)cc1 ZINC000347142626 264164492 /nfs/dbraw/zinc/16/44/92/264164492.db2.gz WVDYUKNJNUDYPL-CJNGLKHVSA-N 2 1 301.459 3.288 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)s2)cc1 ZINC000347142626 264164495 /nfs/dbraw/zinc/16/44/95/264164495.db2.gz WVDYUKNJNUDYPL-CJNGLKHVSA-N 2 1 301.459 3.288 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151368 264165578 /nfs/dbraw/zinc/16/55/78/264165578.db2.gz ATZRHJZSSFMBPZ-NWDGAFQWSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151368 264165579 /nfs/dbraw/zinc/16/55/79/264165579.db2.gz ATZRHJZSSFMBPZ-NWDGAFQWSA-N 2 1 307.488 3.431 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000347150066 264165812 /nfs/dbraw/zinc/16/58/12/264165812.db2.gz ZITMXFLCOGVGRO-GFCCVEGCSA-N 2 1 306.356 3.222 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@@H](C)C1 ZINC000347191524 264172822 /nfs/dbraw/zinc/17/28/22/264172822.db2.gz HMDSLIXLLONOFT-QRFRQXIXSA-N 2 1 316.489 3.053 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347211779 264176504 /nfs/dbraw/zinc/17/65/04/264176504.db2.gz PDMUMXNZWCAKKJ-WMLDXEAASA-N 2 1 312.461 3.048 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347228046 264178963 /nfs/dbraw/zinc/17/89/63/264178963.db2.gz WZSBKYDSYVIONV-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cscc2Br)CC1 ZINC000347589710 264247287 /nfs/dbraw/zinc/24/72/87/264247287.db2.gz NRAVKHKYFWQYDK-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855407 264296332 /nfs/dbraw/zinc/29/63/32/264296332.db2.gz MZTIOZNUSWOEKD-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855407 264296334 /nfs/dbraw/zinc/29/63/34/264296334.db2.gz MZTIOZNUSWOEKD-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855407 264296336 /nfs/dbraw/zinc/29/63/36/264296336.db2.gz MZTIOZNUSWOEKD-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855407 264296338 /nfs/dbraw/zinc/29/63/38/264296338.db2.gz MZTIOZNUSWOEKD-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348088665 264337114 /nfs/dbraw/zinc/33/71/14/264337114.db2.gz RSPBSPTWROLIHP-MGPQQGTHSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348088665 264337115 /nfs/dbraw/zinc/33/71/15/264337115.db2.gz RSPBSPTWROLIHP-MGPQQGTHSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@H]([NH2+][C@]1(C)CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348129755 264348260 /nfs/dbraw/zinc/34/82/60/264348260.db2.gz IGEVLALSNJIWEW-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CCSCC[NH+]1CCC[N@@H+]1CCSCC[C@@H]1C ZINC000348168337 264355616 /nfs/dbraw/zinc/35/56/16/264355616.db2.gz QQPRMHQFSOHATP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]1CCSCC[N@H+]1CCC[NH+]1CCSCC[C@@H]1C ZINC000348168337 264355618 /nfs/dbraw/zinc/35/56/18/264355618.db2.gz QQPRMHQFSOHATP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]1CCSCC[N@@H+]1CCC[NH+]1CCSCC[C@@H]1C ZINC000348168337 264355620 /nfs/dbraw/zinc/35/56/20/264355620.db2.gz QQPRMHQFSOHATP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP Cc1ccnc(N2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)c1 ZINC000352344255 265009149 /nfs/dbraw/zinc/00/91/49/265009149.db2.gz DFUMAYCTKIEDIJ-RDJZCZTQSA-N 2 1 311.429 3.429 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352713669 265137893 /nfs/dbraw/zinc/13/78/93/265137893.db2.gz TXQBQAYCIPQMRI-SNVBAGLBSA-N 2 1 309.401 3.415 20 0 DGADMP C[NH+](C)CCCOc1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000352747405 265150840 /nfs/dbraw/zinc/15/08/40/265150840.db2.gz VUUBEKWNLSKJIR-UHFFFAOYSA-N 2 1 319.836 3.100 20 0 DGADMP CCS[C@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352758720 265154274 /nfs/dbraw/zinc/15/42/74/265154274.db2.gz HXFODQBXGARDDZ-STQMWFEESA-N 2 1 313.536 3.359 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)s1 ZINC000352757992 265154491 /nfs/dbraw/zinc/15/44/91/265154491.db2.gz XCFFQWBTZYXPIF-KRWDZBQOSA-N 2 1 315.486 3.316 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352802577 265173761 /nfs/dbraw/zinc/17/37/61/265173761.db2.gz ULKHGCJHEKFMMR-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352802577 265173764 /nfs/dbraw/zinc/17/37/64/265173764.db2.gz ULKHGCJHEKFMMR-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352835422 265189084 /nfs/dbraw/zinc/18/90/84/265189084.db2.gz OSXPTBRELGOADF-UHFFFAOYSA-N 2 1 321.553 3.353 20 0 DGADMP CCOCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352834861 265190102 /nfs/dbraw/zinc/19/01/02/265190102.db2.gz XIRHZCBPYHQZAA-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CCOCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352834861 265190105 /nfs/dbraw/zinc/19/01/05/265190105.db2.gz XIRHZCBPYHQZAA-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CCOCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352834861 265190108 /nfs/dbraw/zinc/19/01/08/265190108.db2.gz XIRHZCBPYHQZAA-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CN1CC[C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931196 265235714 /nfs/dbraw/zinc/23/57/14/265235714.db2.gz NCGIPODRFCYKEA-ICSRJNTNSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@@H+]1CC[C@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931196 265235716 /nfs/dbraw/zinc/23/57/16/265235716.db2.gz NCGIPODRFCYKEA-ICSRJNTNSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931196 265235718 /nfs/dbraw/zinc/23/57/18/265235718.db2.gz NCGIPODRFCYKEA-ICSRJNTNSA-N 2 1 307.441 3.275 20 0 DGADMP c1ccc(N2CCCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000352969089 265249336 /nfs/dbraw/zinc/24/93/36/265249336.db2.gz QSXRWSJPHBUORE-OALUTQOASA-N 2 1 313.489 3.393 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353023979 265269412 /nfs/dbraw/zinc/26/94/12/265269412.db2.gz GSFVZVRSIUUYGJ-AWEZNQCLSA-N 2 1 321.371 3.242 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353638550 265496046 /nfs/dbraw/zinc/49/60/46/265496046.db2.gz SFTYKLFWOSIBRY-RBUKOAKNSA-N 2 1 309.457 3.478 20 0 DGADMP C[C@H]1C[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)CC[N@H+]1C ZINC000182805395 432230008 /nfs/dbraw/zinc/23/00/08/432230008.db2.gz QUUWPIDXDLFDLA-YJBOKZPZSA-N 2 1 319.518 3.130 20 0 DGADMP CCC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000355219101 266003546 /nfs/dbraw/zinc/00/35/46/266003546.db2.gz MCFBRRPPGFKHOW-LJQANCHMSA-N 2 1 316.489 3.305 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000355372935 266054699 /nfs/dbraw/zinc/05/46/99/266054699.db2.gz RBEKSHNWNSIRIX-MRXNPFEDSA-N 2 1 320.440 3.423 20 0 DGADMP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678631 266154194 /nfs/dbraw/zinc/15/41/94/266154194.db2.gz FNKOWWLMNMIAQK-YOEHRIQHSA-N 2 1 316.836 3.259 20 0 DGADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678631 266154197 /nfs/dbraw/zinc/15/41/97/266154197.db2.gz FNKOWWLMNMIAQK-YOEHRIQHSA-N 2 1 316.836 3.259 20 0 DGADMP COC1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000355742316 266170068 /nfs/dbraw/zinc/17/00/68/266170068.db2.gz STDGCCGJDNIULK-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cn1 ZINC000356376271 266372412 /nfs/dbraw/zinc/37/24/12/266372412.db2.gz ZPAQQDNIPNBSNY-HXUWFJFHSA-N 2 1 321.468 3.460 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247698250 432246355 /nfs/dbraw/zinc/24/63/55/432246355.db2.gz UFGQKCZTASLTCL-WFASDCNBSA-N 2 1 311.267 3.330 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479338 271026552 /nfs/dbraw/zinc/02/65/52/271026552.db2.gz KZZMYKABIVXCCK-IUODEOHRSA-N 2 1 324.490 3.148 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(NCc2cnc3c(C)cccn23)cn1 ZINC000367610939 271051085 /nfs/dbraw/zinc/05/10/85/271051085.db2.gz XXDLLDLJPDAGKL-UHFFFAOYSA-N 2 1 318.384 3.144 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000368769485 271205201 /nfs/dbraw/zinc/20/52/01/271205201.db2.gz ZYPBLDQKXLCKJG-IKGGRYGDSA-N 2 1 324.415 3.308 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cnn3ccccc23)C1 ZINC000369035083 271233983 /nfs/dbraw/zinc/23/39/83/271233983.db2.gz CSWHMAHBWJNCDU-QFBILLFUSA-N 2 1 320.440 3.259 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cnn3ccccc23)C1 ZINC000369035083 271233986 /nfs/dbraw/zinc/23/39/86/271233986.db2.gz CSWHMAHBWJNCDU-QFBILLFUSA-N 2 1 320.440 3.259 20 0 DGADMP CCOc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369720370 271313132 /nfs/dbraw/zinc/31/31/32/271313132.db2.gz HKOSXQCEGZUTTI-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000370652130 271378631 /nfs/dbraw/zinc/37/86/31/271378631.db2.gz MRKMIQRAWHTUEX-HLLBOEOZSA-N 2 1 321.896 3.239 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000291281318 274086522 /nfs/dbraw/zinc/08/65/22/274086522.db2.gz RFGNNHBKZWCXLU-LSTHTHJFSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423369818 274116995 /nfs/dbraw/zinc/11/69/95/274116995.db2.gz OURVWRHUYDMHII-SCLBCKFNSA-N 2 1 302.393 3.055 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCS2 ZINC000191490221 274135256 /nfs/dbraw/zinc/13/52/56/274135256.db2.gz QQYCECUBHJGJLE-QGZVFWFLSA-N 2 1 318.486 3.449 20 0 DGADMP CCOCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247977505 432259726 /nfs/dbraw/zinc/25/97/26/432259726.db2.gz HYSREAQTOQIQKK-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247977505 432259729 /nfs/dbraw/zinc/25/97/29/432259729.db2.gz HYSREAQTOQIQKK-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247977505 432259734 /nfs/dbraw/zinc/25/97/34/432259734.db2.gz HYSREAQTOQIQKK-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247977505 432259740 /nfs/dbraw/zinc/25/97/40/432259740.db2.gz HYSREAQTOQIQKK-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470875 276072773 /nfs/dbraw/zinc/07/27/73/276072773.db2.gz JEVZGUCNPNJQCP-HNNXBMFYSA-N 2 1 306.425 3.062 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470875 276072774 /nfs/dbraw/zinc/07/27/74/276072774.db2.gz JEVZGUCNPNJQCP-HNNXBMFYSA-N 2 1 306.425 3.062 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470875 276072775 /nfs/dbraw/zinc/07/27/75/276072775.db2.gz JEVZGUCNPNJQCP-HNNXBMFYSA-N 2 1 306.425 3.062 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470875 276072776 /nfs/dbraw/zinc/07/27/76/276072776.db2.gz JEVZGUCNPNJQCP-HNNXBMFYSA-N 2 1 306.425 3.062 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474023114 276151809 /nfs/dbraw/zinc/15/18/09/276151809.db2.gz LTCAXYLGOOCLDN-SFHVURJKSA-N 2 1 302.462 3.492 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CCC(=O)CC3)C2)CC1 ZINC000450325229 276198803 /nfs/dbraw/zinc/19/88/03/276198803.db2.gz SUYJKCUAEFCJRP-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCSc3ccc(OC)cc32)C1 ZINC000191497563 276221761 /nfs/dbraw/zinc/22/17/61/276221761.db2.gz IMMJOQKUBFBOCR-CZUORRHYSA-N 2 1 306.475 3.164 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000343340909 276229121 /nfs/dbraw/zinc/22/91/21/276229121.db2.gz KCSJBNNFCOLILW-DSLXNQLJSA-N 2 1 302.462 3.084 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512045 276230476 /nfs/dbraw/zinc/23/04/76/276230476.db2.gz JXRREXXJRBKENV-CUDHKJQZSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512045 276230477 /nfs/dbraw/zinc/23/04/77/276230477.db2.gz JXRREXXJRBKENV-CUDHKJQZSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512045 276230479 /nfs/dbraw/zinc/23/04/79/276230479.db2.gz JXRREXXJRBKENV-CUDHKJQZSA-N 2 1 315.505 3.142 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512045 276230480 /nfs/dbraw/zinc/23/04/80/276230480.db2.gz JXRREXXJRBKENV-CUDHKJQZSA-N 2 1 315.505 3.142 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512045 276230484 /nfs/dbraw/zinc/23/04/84/276230484.db2.gz JXRREXXJRBKENV-CUDHKJQZSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422688087 276335117 /nfs/dbraw/zinc/33/51/17/276335117.db2.gz CMPXPDLWVBXESQ-RBUKOAKNSA-N 3 1 303.494 3.278 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1(CC)CC ZINC000344161096 276344921 /nfs/dbraw/zinc/34/49/21/276344921.db2.gz FWQDJGFOLHAMOR-DJIMGWMZSA-N 2 1 307.482 3.401 20 0 DGADMP CC[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)OCCc2ccccc21 ZINC000297351486 276605627 /nfs/dbraw/zinc/60/56/27/276605627.db2.gz FYVBYGRMIHVLEI-FQEVSTJZSA-N 2 1 314.473 3.081 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309837150 278169091 /nfs/dbraw/zinc/16/90/91/278169091.db2.gz IVHPXYMUHAQHKE-QUCCMNQESA-N 3 1 317.521 3.396 20 0 DGADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423280162 278236018 /nfs/dbraw/zinc/23/60/18/278236018.db2.gz SILOMAVNFZZWLH-XHDPSFHLSA-N 2 1 300.368 3.353 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414744501 278266055 /nfs/dbraw/zinc/26/60/55/278266055.db2.gz WLJARHQHECLHEU-WFASDCNBSA-N 2 1 300.368 3.480 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000247192969 288074079 /nfs/dbraw/zinc/07/40/79/288074079.db2.gz VWFHTKFZYAEHKT-YQFWSFKMSA-N 2 1 318.461 3.227 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[NH2+]1 ZINC000423371107 278925062 /nfs/dbraw/zinc/92/50/62/278925062.db2.gz HKBAILCUZDYHMH-SKDZVZGDSA-N 2 1 300.446 3.119 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCO[C@H]1c1ccccc1 ZINC000345066993 288104934 /nfs/dbraw/zinc/10/49/34/288104934.db2.gz LWOGLCGZTSAUGU-LIEJCIORSA-N 2 1 302.462 3.083 20 0 DGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423280160 279272210 /nfs/dbraw/zinc/27/22/10/279272210.db2.gz SILOMAVNFZZWLH-IAQYHMDHSA-N 2 1 300.368 3.353 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414777975 279320635 /nfs/dbraw/zinc/32/06/35/279320635.db2.gz YJJVDDPXKRRTFN-XPKDYRNWSA-N 2 1 312.379 3.493 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414771316 279320949 /nfs/dbraw/zinc/32/09/49/279320949.db2.gz PIJKHXAYGBKELU-VHDGCEQUSA-N 2 1 312.379 3.350 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220950 279368734 /nfs/dbraw/zinc/36/87/34/279368734.db2.gz FZIWUQWABNXSCG-XGXHKWSGSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220950 279368738 /nfs/dbraw/zinc/36/87/38/279368738.db2.gz FZIWUQWABNXSCG-XGXHKWSGSA-N 2 1 302.462 3.369 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070170556 431243896 /nfs/dbraw/zinc/24/38/96/431243896.db2.gz HZADQZGCVGUDHP-LBPRGKRZSA-N 2 1 317.260 3.433 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000070984135 431269803 /nfs/dbraw/zinc/26/98/03/431269803.db2.gz BPWNPFCKMXPRJU-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP C(C[NH+]1CCCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000077172827 431570568 /nfs/dbraw/zinc/57/05/68/431570568.db2.gz YCARHZJACDTYGE-UHFFFAOYSA-N 2 1 307.526 3.060 20 0 DGADMP CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H](C)O ZINC000453328410 280183928 /nfs/dbraw/zinc/18/39/28/280183928.db2.gz PLZUNMSDUIPYQD-JYPHPWERSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000341582449 280187984 /nfs/dbraw/zinc/18/79/84/280187984.db2.gz CIDZXBRDHYBATC-DLBZAZTESA-N 2 1 318.461 3.373 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[NH+]1CCCCC1 ZINC000077371810 431587922 /nfs/dbraw/zinc/58/79/22/431587922.db2.gz OVCSZPHHUIVPHF-LJQANCHMSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(CO)c1 ZINC000121240223 431760362 /nfs/dbraw/zinc/76/03/62/431760362.db2.gz PEIZGBBVFVHVDO-SJORKVTESA-N 2 1 304.478 3.484 20 0 DGADMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000121469619 431788222 /nfs/dbraw/zinc/78/82/22/431788222.db2.gz ZCKKNROVEQOZNW-MRXNPFEDSA-N 2 1 304.478 3.444 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3cccnc32)C1 ZINC000081630264 431795617 /nfs/dbraw/zinc/79/56/17/431795617.db2.gz ANQBVLRUIAUAPZ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000081630264 431795620 /nfs/dbraw/zinc/79/56/20/431795620.db2.gz ANQBVLRUIAUAPZ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000081630264 431795626 /nfs/dbraw/zinc/79/56/26/431795626.db2.gz ANQBVLRUIAUAPZ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc[nH]c3)CC2)cs1 ZINC000086253568 431844303 /nfs/dbraw/zinc/84/43/03/431844303.db2.gz FOAXJBJGXKEDHM-UHFFFAOYSA-N 2 1 318.490 3.035 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122821757 431845555 /nfs/dbraw/zinc/84/55/55/431845555.db2.gz CMALNBBLJMBNSY-VQIMIIECSA-N 2 1 302.462 3.187 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269239 431862718 /nfs/dbraw/zinc/86/27/18/431862718.db2.gz NVNAYFBKLMMWGF-QGZVFWFLSA-N 2 1 303.494 3.014 20 0 DGADMP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123774438 431873760 /nfs/dbraw/zinc/87/37/60/431873760.db2.gz ARXYPWZZBUGCIM-MOPGFXCFSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000125196302 431916996 /nfs/dbraw/zinc/91/69/96/431916996.db2.gz JLVLGPGTESVIJA-UHFFFAOYSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000125196302 431916998 /nfs/dbraw/zinc/91/69/98/431916998.db2.gz JLVLGPGTESVIJA-UHFFFAOYSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000125482962 431926350 /nfs/dbraw/zinc/92/63/50/431926350.db2.gz LRJZSVRXZKCVDB-CQSZACIVSA-N 2 1 312.404 3.288 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000125482962 431926351 /nfs/dbraw/zinc/92/63/51/431926351.db2.gz LRJZSVRXZKCVDB-CQSZACIVSA-N 2 1 312.404 3.288 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccsc3)CC2)C[C@H](C)O1 ZINC000093844457 431919023 /nfs/dbraw/zinc/91/90/23/431919023.db2.gz FNELYVNJDOPIAF-IYBDPMFKSA-N 2 1 322.518 3.459 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535367 431875418 /nfs/dbraw/zinc/87/54/18/431875418.db2.gz YGQALQWYGSIILV-QWHCGFSZSA-N 2 1 311.267 3.442 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000044535312 431875600 /nfs/dbraw/zinc/87/56/00/431875600.db2.gz FZMZKSQXMAQYMH-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1cnn(C)c1 ZINC000123894217 431877498 /nfs/dbraw/zinc/87/74/98/431877498.db2.gz IXBYTCLQGXAGQJ-SFHVURJKSA-N 2 1 300.450 3.113 20 0 DGADMP COCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000124210600 431886001 /nfs/dbraw/zinc/88/60/01/431886001.db2.gz HLIIEJHSNYJQAH-IRXDYDNUSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000090720938 431894837 /nfs/dbraw/zinc/89/48/37/431894837.db2.gz BFBWSEKUKOTNPW-PWSUYJOCSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000090720938 431894839 /nfs/dbraw/zinc/89/48/39/431894839.db2.gz BFBWSEKUKOTNPW-PWSUYJOCSA-N 2 1 315.230 3.161 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000124900486 431907471 /nfs/dbraw/zinc/90/74/71/431907471.db2.gz RMIKENKPOAMURY-JKSUJKDBSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000124900486 431907474 /nfs/dbraw/zinc/90/74/74/431907474.db2.gz RMIKENKPOAMURY-JKSUJKDBSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000124900486 431907476 /nfs/dbraw/zinc/90/74/76/431907476.db2.gz RMIKENKPOAMURY-JKSUJKDBSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000125523644 431928127 /nfs/dbraw/zinc/92/81/27/431928127.db2.gz XRDSAZVUOCXVDI-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000125523644 431928129 /nfs/dbraw/zinc/92/81/29/431928129.db2.gz XRDSAZVUOCXVDI-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000098143756 431979846 /nfs/dbraw/zinc/97/98/46/431979846.db2.gz XUQCSGCEHGKTLK-RHSMWYFYSA-N 2 1 310.869 3.083 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000049330252 431938845 /nfs/dbraw/zinc/93/88/45/431938845.db2.gz FEERHLPOMNHFAH-LLVKDONJSA-N 2 1 308.223 3.305 20 0 DGADMP c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000127742864 431980109 /nfs/dbraw/zinc/98/01/09/431980109.db2.gz PUQBAYOUEAJJBL-AQNXPRMDSA-N 2 1 313.489 3.040 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)CC3 ZINC000415063906 281032617 /nfs/dbraw/zinc/03/26/17/281032617.db2.gz JAPLSVUVSQQFON-MGPUTAFESA-N 2 1 311.473 3.441 20 0 DGADMP CC[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)OCCc2ccccc21 ZINC000289799416 281344882 /nfs/dbraw/zinc/34/48/82/281344882.db2.gz NRELYLREOYAMBG-WSTZPKSXSA-N 2 1 314.473 3.081 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000270654604 432270676 /nfs/dbraw/zinc/27/06/76/432270676.db2.gz PGCCRYRPKDGAAZ-UHFFFAOYSA-N 2 1 313.445 3.433 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@H]1CCC[NH+]1C ZINC000248132110 432270773 /nfs/dbraw/zinc/27/07/73/432270773.db2.gz WRJHHZHLEOOSIV-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000248132110 432270776 /nfs/dbraw/zinc/27/07/76/432270776.db2.gz WRJHHZHLEOOSIV-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@H]1CCC[N@H+]1C ZINC000248132110 432270779 /nfs/dbraw/zinc/27/07/79/432270779.db2.gz WRJHHZHLEOOSIV-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccccc1 ZINC000191513807 432272416 /nfs/dbraw/zinc/27/24/16/432272416.db2.gz PBNNYFYHEXNZOE-UHFFFAOYSA-N 2 1 301.434 3.237 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccccc1 ZINC000191513807 432272418 /nfs/dbraw/zinc/27/24/18/432272418.db2.gz PBNNYFYHEXNZOE-UHFFFAOYSA-N 2 1 301.434 3.237 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000191521506 432273116 /nfs/dbraw/zinc/27/31/16/432273116.db2.gz INXYOOJMPJIHOI-QGZVFWFLSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000191521506 432273121 /nfs/dbraw/zinc/27/31/21/432273121.db2.gz INXYOOJMPJIHOI-QGZVFWFLSA-N 2 1 319.424 3.030 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000270667819 432274118 /nfs/dbraw/zinc/27/41/18/432274118.db2.gz RRBRDZYYLXWTDF-UHFFFAOYSA-N 2 1 321.852 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000270667819 432274124 /nfs/dbraw/zinc/27/41/24/432274124.db2.gz RRBRDZYYLXWTDF-UHFFFAOYSA-N 2 1 321.852 3.120 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Nc1ccccc1 ZINC000248176745 432274967 /nfs/dbraw/zinc/27/49/67/432274967.db2.gz VSFNKAZZWJVWJI-DKKFBQAASA-N 2 1 303.494 3.441 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000248398657 432285196 /nfs/dbraw/zinc/28/51/96/432285196.db2.gz JBSBRZQGZAPCED-PMPSAXMXSA-N 2 1 304.482 3.207 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000248398657 432285199 /nfs/dbraw/zinc/28/51/99/432285199.db2.gz JBSBRZQGZAPCED-PMPSAXMXSA-N 2 1 304.482 3.207 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248408737 432287556 /nfs/dbraw/zinc/28/75/56/432287556.db2.gz VVFAQFFXODMADL-WTGUMLROSA-N 2 1 316.489 3.038 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000248442287 432291602 /nfs/dbraw/zinc/29/16/02/432291602.db2.gz KUGZNTHOKHADCY-WBVHZDCISA-N 2 1 317.477 3.416 20 0 DGADMP CC1(C)CC([NH2+]Cc2cccc3c2OCCCO3)CC(C)(C)[NH2+]1 ZINC000060856827 432001018 /nfs/dbraw/zinc/00/10/18/432001018.db2.gz NBGSASMMYKVRBT-UHFFFAOYSA-N 2 1 318.461 3.247 20 0 DGADMP CCN(CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000248033448 432263796 /nfs/dbraw/zinc/26/37/96/432263796.db2.gz QWOXAJIHYNEORI-ZIFCJYIRSA-N 2 1 303.494 3.221 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000248066328 432266004 /nfs/dbraw/zinc/26/60/04/432266004.db2.gz ZNILKXQKLYNDBH-YTQUADARSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)CC[N@H+]1C ZINC000248066627 432266255 /nfs/dbraw/zinc/26/62/55/432266255.db2.gz ZSGOQCOMNJAZLA-CKEIUWERSA-N 2 1 309.885 3.015 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823557 432319582 /nfs/dbraw/zinc/31/95/82/432319582.db2.gz FOMQSTNUXNVGCM-YFEQDTMFSA-N 2 1 314.473 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000248824168 432320711 /nfs/dbraw/zinc/32/07/11/432320711.db2.gz CMMKVTXHMPYBTG-NBMJBFSESA-N 2 1 302.462 3.054 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152431245 432333114 /nfs/dbraw/zinc/33/31/14/432333114.db2.gz YNBISHBTBZQIJO-TZMCWYRMSA-N 2 1 305.491 3.157 20 0 DGADMP COC[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249046014 432334455 /nfs/dbraw/zinc/33/44/55/432334455.db2.gz WAPDLCUUZOBBDU-DSLXNQLJSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249057316 432336075 /nfs/dbraw/zinc/33/60/75/432336075.db2.gz ZAHWOGQPEXNPIF-HAYURNKSSA-N 2 1 302.462 3.195 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000183958149 432337664 /nfs/dbraw/zinc/33/76/64/432337664.db2.gz FOPWHLSUJCMUNO-HZPDHXFCSA-N 2 1 302.462 3.189 20 0 DGADMP CC1CC[NH+](CCN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000152505428 432337939 /nfs/dbraw/zinc/33/79/39/432337939.db2.gz LTEVISCZDYXBLD-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP C[C@@H]1CC[NH+](CCCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192185451 432342773 /nfs/dbraw/zinc/34/27/73/432342773.db2.gz SCBZFGJPBLITTE-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192185451 432342775 /nfs/dbraw/zinc/34/27/75/432342775.db2.gz SCBZFGJPBLITTE-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192185451 432342778 /nfs/dbraw/zinc/34/27/78/432342778.db2.gz SCBZFGJPBLITTE-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000249337031 432346426 /nfs/dbraw/zinc/34/64/26/432346426.db2.gz ZLVJRQIDYBIDBP-HNBVOPMISA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833475 432305943 /nfs/dbraw/zinc/30/59/43/432305943.db2.gz QSYOSTYRNVHRRV-FXAWDEMLSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833475 432305946 /nfs/dbraw/zinc/30/59/46/432305946.db2.gz QSYOSTYRNVHRRV-FXAWDEMLSA-N 2 1 316.489 3.446 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000270965985 432309248 /nfs/dbraw/zinc/30/92/48/432309248.db2.gz BTTPOKVRXPBQTM-CRAIPNDOSA-N 2 1 312.461 3.195 20 0 DGADMP COC(=O)C1CCC([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000192439997 432374406 /nfs/dbraw/zinc/37/44/06/432374406.db2.gz RGHUJIJNENOKBC-RYTJFDOTSA-N 2 1 324.509 3.064 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000192441903 432375052 /nfs/dbraw/zinc/37/50/52/432375052.db2.gz OFDJVSAQQXHUNJ-FUHWJXTLSA-N 2 1 316.489 3.263 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(C)c2)[C@H](C)C1 ZINC000184358159 432383353 /nfs/dbraw/zinc/38/33/53/432383353.db2.gz OMKQETKNLKQJAM-AOIWGVFYSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(C)c2)[C@H](C)C1 ZINC000184358159 432383356 /nfs/dbraw/zinc/38/33/56/432383356.db2.gz OMKQETKNLKQJAM-AOIWGVFYSA-N 2 1 319.493 3.178 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000153158593 432389533 /nfs/dbraw/zinc/38/95/33/432389533.db2.gz BHYZODWWASWAOO-HOCLYGCPSA-N 2 1 320.477 3.054 20 0 DGADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184482610 432395997 /nfs/dbraw/zinc/39/59/97/432395997.db2.gz LIMKTBRLIWEIHI-QGZVFWFLSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184482610 432396001 /nfs/dbraw/zinc/39/60/01/432396001.db2.gz LIMKTBRLIWEIHI-QGZVFWFLSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184482610 432396003 /nfs/dbraw/zinc/39/60/03/432396003.db2.gz LIMKTBRLIWEIHI-QGZVFWFLSA-N 2 1 321.465 3.025 20 0 DGADMP Cn1c2ccccc2[nH+]c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271475332 432404191 /nfs/dbraw/zinc/40/41/91/432404191.db2.gz SZIGXJYSYOCNGD-UHFFFAOYSA-N 2 1 321.428 3.297 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000174628770 432360618 /nfs/dbraw/zinc/36/06/18/432360618.db2.gz RSALAOVKSACADO-IUODEOHRSA-N 2 1 316.367 3.405 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000152878831 432364529 /nfs/dbraw/zinc/36/45/29/432364529.db2.gz VQHYIHOCPQFVSL-ZIFCJYIRSA-N 2 1 304.478 3.474 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000192925349 432429194 /nfs/dbraw/zinc/42/91/94/432429194.db2.gz AKTPOIPMXNRJEA-SFHVURJKSA-N 2 1 306.453 3.266 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550419 432430056 /nfs/dbraw/zinc/43/00/56/432430056.db2.gz PLJZUEIYTFNYPW-FRYIKTPZSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550419 432430059 /nfs/dbraw/zinc/43/00/59/432430059.db2.gz PLJZUEIYTFNYPW-FRYIKTPZSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550419 432430062 /nfs/dbraw/zinc/43/00/62/432430062.db2.gz PLJZUEIYTFNYPW-FRYIKTPZSA-N 2 1 315.505 3.004 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000261541530 432431436 /nfs/dbraw/zinc/43/14/36/432431436.db2.gz BGEFZJZLXYXNAF-FPOVZHCZSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000261541530 432431441 /nfs/dbraw/zinc/43/14/41/432431441.db2.gz BGEFZJZLXYXNAF-FPOVZHCZSA-N 2 1 322.452 3.449 20 0 DGADMP C1CCC([N@H+]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC000153676432 432432068 /nfs/dbraw/zinc/43/20/68/432432068.db2.gz IMWYACLCMKEDEG-SFHVURJKSA-N 2 1 319.537 3.390 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@@H]1CCOC1 ZINC000153723815 432435796 /nfs/dbraw/zinc/43/57/96/432435796.db2.gz OQNAEVFDFGJFCA-WBVHZDCISA-N 2 1 317.408 3.225 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OCC ZINC000261639477 432437855 /nfs/dbraw/zinc/43/78/55/432437855.db2.gz GGKBZCCYAWUPKF-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OCC ZINC000261639477 432437858 /nfs/dbraw/zinc/43/78/58/432437858.db2.gz GGKBZCCYAWUPKF-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(N)c2)C1 ZINC000261686820 432440866 /nfs/dbraw/zinc/44/08/66/432440866.db2.gz MMCRGXQQUDWMDR-FUHWJXTLSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261686820 432440870 /nfs/dbraw/zinc/44/08/70/432440870.db2.gz MMCRGXQQUDWMDR-FUHWJXTLSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261686820 432440874 /nfs/dbraw/zinc/44/08/74/432440874.db2.gz MMCRGXQQUDWMDR-FUHWJXTLSA-N 2 1 301.478 3.355 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000153779671 432442933 /nfs/dbraw/zinc/44/29/33/432442933.db2.gz DYIJELSNIHJWFK-GOSISDBHSA-N 2 1 320.477 3.075 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]C1 ZINC000261712736 432444275 /nfs/dbraw/zinc/44/42/75/432444275.db2.gz DTPCXUMRVGTJQT-FZKQIMNGSA-N 2 1 317.408 3.146 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000193064362 432446241 /nfs/dbraw/zinc/44/62/41/432446241.db2.gz MHOCQACJGGOMRV-BETUJISGSA-N 2 1 316.898 3.381 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261751146 432446293 /nfs/dbraw/zinc/44/62/93/432446293.db2.gz QCVRSZZRPSLTRF-UIAACRFSSA-N 2 1 310.441 3.225 20 0 DGADMP COc1ccc([C@H](C)C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261751146 432446295 /nfs/dbraw/zinc/44/62/95/432446295.db2.gz QCVRSZZRPSLTRF-UIAACRFSSA-N 2 1 310.441 3.225 20 0 DGADMP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000261753683 432446867 /nfs/dbraw/zinc/44/68/67/432446867.db2.gz CJWVELWSADKCKZ-LBPRGKRZSA-N 2 1 323.278 3.195 20 0 DGADMP C[C@H](NCc1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148384 432452291 /nfs/dbraw/zinc/45/22/91/432452291.db2.gz CVDBGGDUFSXSNE-GOEBONIOSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000261845511 432454979 /nfs/dbraw/zinc/45/49/79/432454979.db2.gz RALHLBFACOXCFG-OAQYLSRUSA-N 2 1 324.468 3.463 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153920068 432456538 /nfs/dbraw/zinc/45/65/38/432456538.db2.gz MCMVPRUENUABQA-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](CCN2CCC(C)CC2)CC1 ZINC000153920068 432456542 /nfs/dbraw/zinc/45/65/42/432456542.db2.gz MCMVPRUENUABQA-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCN2CCC(C)CC2)CC1 ZINC000153920068 432456546 /nfs/dbraw/zinc/45/65/46/432456546.db2.gz MCMVPRUENUABQA-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000184586688 432410050 /nfs/dbraw/zinc/41/00/50/432410050.db2.gz LZIMVRIVSYVGRS-FQEVSTJZSA-N 2 1 310.441 3.071 20 0 DGADMP CC(C)CC[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192761403 432411110 /nfs/dbraw/zinc/41/11/10/432411110.db2.gz JKZNNNIDRANGOI-LJQANCHMSA-N 2 1 309.542 3.303 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]21 ZINC000262059007 432471974 /nfs/dbraw/zinc/47/19/74/432471974.db2.gz DTUYDWMBEWYZCW-SLEUVZQESA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]21 ZINC000262059007 432471979 /nfs/dbraw/zinc/47/19/79/432471979.db2.gz DTUYDWMBEWYZCW-SLEUVZQESA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000262131745 432474796 /nfs/dbraw/zinc/47/47/96/432474796.db2.gz LMRHQGYEGHYKOH-MRVWCRGKSA-N 2 1 314.351 3.144 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000262131745 432474799 /nfs/dbraw/zinc/47/47/99/432474799.db2.gz LMRHQGYEGHYKOH-MRVWCRGKSA-N 2 1 314.351 3.144 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000185212459 432477857 /nfs/dbraw/zinc/47/78/57/432477857.db2.gz LHTPRUHUPMBUOJ-QGZVFWFLSA-N 2 1 309.417 3.074 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]21 ZINC000262372290 432482456 /nfs/dbraw/zinc/48/24/56/432482456.db2.gz XOFQKBJFDPIJNN-BYCMXARLSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]21 ZINC000262372290 432482460 /nfs/dbraw/zinc/48/24/60/432482460.db2.gz XOFQKBJFDPIJNN-BYCMXARLSA-N 2 1 316.342 3.404 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262398034 432484963 /nfs/dbraw/zinc/48/49/63/432484963.db2.gz CAJXKIZUAZHYNG-KWCYVHTRSA-N 2 1 314.351 3.188 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000262378190 432485330 /nfs/dbraw/zinc/48/53/30/432485330.db2.gz YLWCOVBSIWFXPT-MWDXBVQZSA-N 2 1 321.534 3.251 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]12 ZINC000262442108 432485735 /nfs/dbraw/zinc/48/57/35/432485735.db2.gz GVYBVGKIEGFYEC-NWANDNLSSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]12 ZINC000262442108 432485740 /nfs/dbraw/zinc/48/57/40/432485740.db2.gz GVYBVGKIEGFYEC-NWANDNLSSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]12 ZINC000262473184 432488180 /nfs/dbraw/zinc/48/81/80/432488180.db2.gz JKGHRVZVOGDOKD-DAXOMENPSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]12 ZINC000262473184 432488182 /nfs/dbraw/zinc/48/81/82/432488182.db2.gz JKGHRVZVOGDOKD-DAXOMENPSA-N 2 1 317.820 3.164 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376121 432490579 /nfs/dbraw/zinc/49/05/79/432490579.db2.gz VNCLVDODHQCIAI-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261921869 432461531 /nfs/dbraw/zinc/46/15/31/432461531.db2.gz KPFTZRIQPNMQFG-GOSISDBHSA-N 2 1 324.472 3.423 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261921869 432461534 /nfs/dbraw/zinc/46/15/34/432461534.db2.gz KPFTZRIQPNMQFG-GOSISDBHSA-N 2 1 324.472 3.423 20 0 DGADMP Fc1ccc(C(C[N@@H+]2CCC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000261979728 432465041 /nfs/dbraw/zinc/46/50/41/432465041.db2.gz RFIYWSCXOZIVBF-UHFFFAOYSA-N 2 1 316.395 3.392 20 0 DGADMP Fc1ccc(C(C[N@H+]2CCC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000261979728 432465046 /nfs/dbraw/zinc/46/50/46/432465046.db2.gz RFIYWSCXOZIVBF-UHFFFAOYSA-N 2 1 316.395 3.392 20 0 DGADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272236942 432466844 /nfs/dbraw/zinc/46/68/44/432466844.db2.gz VSBBZCJNAQXPQS-YOEHRIQHSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272236942 432466849 /nfs/dbraw/zinc/46/68/49/432466849.db2.gz VSBBZCJNAQXPQS-YOEHRIQHSA-N 2 1 315.486 3.452 20 0 DGADMP Clc1ccccc1O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262038169 432469565 /nfs/dbraw/zinc/46/95/65/432469565.db2.gz XXUNWDOVUTYRSN-LSDHHAIUSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262038169 432469569 /nfs/dbraw/zinc/46/95/69/432469569.db2.gz XXUNWDOVUTYRSN-LSDHHAIUSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262038162 432469776 /nfs/dbraw/zinc/46/97/76/432469776.db2.gz XXUNWDOVUTYRSN-GJZGRUSLSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262038162 432469778 /nfs/dbraw/zinc/46/97/78/432469778.db2.gz XXUNWDOVUTYRSN-GJZGRUSLSA-N 2 1 308.853 3.183 20 0 DGADMP CC(C)([NH3+])C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000262027981 432470650 /nfs/dbraw/zinc/47/06/50/432470650.db2.gz WTXYKUCMQVABMY-UHFFFAOYSA-N 2 1 311.267 3.366 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)o1 ZINC000194543402 432559786 /nfs/dbraw/zinc/55/97/86/432559786.db2.gz KEDIFDAJXCHTFN-GASCZTMLSA-N 2 1 314.404 3.388 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)o1 ZINC000194543402 432559791 /nfs/dbraw/zinc/55/97/91/432559791.db2.gz KEDIFDAJXCHTFN-GASCZTMLSA-N 2 1 314.404 3.388 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)o1 ZINC000194543402 432559796 /nfs/dbraw/zinc/55/97/96/432559796.db2.gz KEDIFDAJXCHTFN-GASCZTMLSA-N 2 1 314.404 3.388 20 0 DGADMP Cn1c2ccccc2nc1C(C)(C)NCc1cccc2nccn21 ZINC000185642429 432518586 /nfs/dbraw/zinc/51/85/86/432518586.db2.gz BSCOEAGDTSGULI-UHFFFAOYSA-N 2 1 319.412 3.246 20 0 DGADMP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272540475 432521853 /nfs/dbraw/zinc/52/18/53/432521853.db2.gz CLABLKYKOYRTDV-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP Oc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000154940344 432530983 /nfs/dbraw/zinc/53/09/83/432530983.db2.gz YXQITPBXPNAGMI-UHFFFAOYSA-N 2 1 324.468 3.231 20 0 DGADMP COCCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000156990423 432611968 /nfs/dbraw/zinc/61/19/68/432611968.db2.gz VFGBBKDQWRUEQW-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990423 432611971 /nfs/dbraw/zinc/61/19/71/432611971.db2.gz VFGBBKDQWRUEQW-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990423 432611974 /nfs/dbraw/zinc/61/19/74/432611974.db2.gz VFGBBKDQWRUEQW-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990423 432611976 /nfs/dbraw/zinc/61/19/76/432611976.db2.gz VFGBBKDQWRUEQW-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990423 432611980 /nfs/dbraw/zinc/61/19/80/432611980.db2.gz VFGBBKDQWRUEQW-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000186371699 432587675 /nfs/dbraw/zinc/58/76/75/432587675.db2.gz KWBQWRKUAYURNB-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP CCCO[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177153050 432590308 /nfs/dbraw/zinc/59/03/08/432590308.db2.gz SJNKZTGQBXGGJB-KRWDZBQOSA-N 2 1 314.433 3.048 20 0 DGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000177149212 432591643 /nfs/dbraw/zinc/59/16/43/432591643.db2.gz JTZMQHVKKDDNQZ-HNNXBMFYSA-N 2 1 304.397 3.387 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000156495878 432598081 /nfs/dbraw/zinc/59/80/81/432598081.db2.gz REIXJTZGZQLIBD-WCQYABFASA-N 2 1 316.367 3.286 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000156495878 432598083 /nfs/dbraw/zinc/59/80/83/432598083.db2.gz REIXJTZGZQLIBD-WCQYABFASA-N 2 1 316.367 3.286 20 0 DGADMP C[NH+]1CCC([NH2+]CCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000177237552 432601842 /nfs/dbraw/zinc/60/18/42/432601842.db2.gz ZXRRGLSXQVEMTB-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000157528331 432622162 /nfs/dbraw/zinc/62/21/62/432622162.db2.gz XJZYNRBNBDUUOR-GJYPPUQNSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528331 432622165 /nfs/dbraw/zinc/62/21/65/432622165.db2.gz XJZYNRBNBDUUOR-GJYPPUQNSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528331 432622169 /nfs/dbraw/zinc/62/21/69/432622169.db2.gz XJZYNRBNBDUUOR-GJYPPUQNSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000273656621 432622758 /nfs/dbraw/zinc/62/27/58/432622758.db2.gz DHRLSLYVNDXHKU-NZSAHSFTSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000273656621 432622762 /nfs/dbraw/zinc/62/27/62/432622762.db2.gz DHRLSLYVNDXHKU-NZSAHSFTSA-N 2 1 318.505 3.426 20 0 DGADMP C/C(=C\c1ccccc1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000264400663 432643215 /nfs/dbraw/zinc/64/32/15/432643215.db2.gz VZQAHZJOSPZWCX-OBGWFSINSA-N 2 1 314.473 3.325 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000158562423 432648951 /nfs/dbraw/zinc/64/89/51/432648951.db2.gz YUYWYQSPFQXHMH-SOLBZPMBSA-N 2 1 306.498 3.219 20 0 DGADMP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c(C)c3)CC2)oc1C ZINC000274322106 432651011 /nfs/dbraw/zinc/65/10/11/432651011.db2.gz CWQMHPLMQVMGIQ-UHFFFAOYSA-N 2 1 314.433 3.319 20 0 DGADMP Brc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641389 432656748 /nfs/dbraw/zinc/65/67/48/432656748.db2.gz DCRWQIGOXWMBFG-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217641389 432656750 /nfs/dbraw/zinc/65/67/50/432656750.db2.gz DCRWQIGOXWMBFG-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641389 432656751 /nfs/dbraw/zinc/65/67/51/432656751.db2.gz DCRWQIGOXWMBFG-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641389 432656755 /nfs/dbraw/zinc/65/67/55/432656755.db2.gz DCRWQIGOXWMBFG-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccoc3)CC2)oc1C ZINC000178106337 432694904 /nfs/dbraw/zinc/69/49/04/432694904.db2.gz HLCXNDWWAISQOM-AWEZNQCLSA-N 2 1 317.433 3.447 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178111330 432696156 /nfs/dbraw/zinc/69/61/56/432696156.db2.gz CDJCBYBSYVBILD-XHSDSOJGSA-N 2 1 306.498 3.137 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000187994214 432696518 /nfs/dbraw/zinc/69/65/18/432696518.db2.gz HGKRWZHZDMROBR-MSOLQXFVSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)CC[N@H+]1C ZINC000178187765 432704250 /nfs/dbraw/zinc/70/42/50/432704250.db2.gz ZSGOQCOMNJAZLA-CPUCHLNUSA-N 2 1 309.885 3.015 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)[C@H](C)C1 ZINC000178188146 432704350 /nfs/dbraw/zinc/70/43/50/432704350.db2.gz IGVFVDLFGCMZHM-JLSDUUJJSA-N 2 1 323.912 3.263 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](CC)[NH+](CC)CC)c2C1 ZINC000265506379 432706919 /nfs/dbraw/zinc/70/69/19/432706919.db2.gz IOFDECAPGGYLOO-SFHVURJKSA-N 2 1 317.477 3.471 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](CC)[NH+](CC)CC)c2C1 ZINC000265506379 432706924 /nfs/dbraw/zinc/70/69/24/432706924.db2.gz IOFDECAPGGYLOO-SFHVURJKSA-N 2 1 317.477 3.471 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@H]21 ZINC000228475380 432718279 /nfs/dbraw/zinc/71/82/79/432718279.db2.gz RVZFHJTVHQKLOT-KCPJHIHWSA-N 2 1 319.499 3.431 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@H]21 ZINC000228475380 432718285 /nfs/dbraw/zinc/71/82/85/432718285.db2.gz RVZFHJTVHQKLOT-KCPJHIHWSA-N 2 1 319.499 3.431 20 0 DGADMP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937811 432720821 /nfs/dbraw/zinc/72/08/21/432720821.db2.gz SKONAIZZTNIGAP-UIFIKXQLSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937811 432720826 /nfs/dbraw/zinc/72/08/26/432720826.db2.gz SKONAIZZTNIGAP-UIFIKXQLSA-N 2 1 324.468 3.220 20 0 DGADMP CCc1cnccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000265166095 432670206 /nfs/dbraw/zinc/67/02/06/432670206.db2.gz CSDHXTBVDKQNNY-GOSISDBHSA-N 2 1 323.440 3.495 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC000159219766 432676876 /nfs/dbraw/zinc/67/68/76/432676876.db2.gz QMLJWQURJNAKJQ-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC000159219766 432676880 /nfs/dbraw/zinc/67/68/80/432676880.db2.gz QMLJWQURJNAKJQ-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC000159219766 432676883 /nfs/dbraw/zinc/67/68/83/432676883.db2.gz QMLJWQURJNAKJQ-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCCS2 ZINC000187708812 432677515 /nfs/dbraw/zinc/67/75/15/432677515.db2.gz PKUPNQJCIHDEOB-INIZCTEOSA-N 2 1 306.475 3.306 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177978017 432680437 /nfs/dbraw/zinc/68/04/37/432680437.db2.gz LNFCACMAIHOTTP-HNNXBMFYSA-N 2 1 314.477 3.420 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000178036248 432686740 /nfs/dbraw/zinc/68/67/40/432686740.db2.gz QFNPUVFIAIPDFM-RBSFLKMASA-N 2 1 306.450 3.146 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000178036248 432686743 /nfs/dbraw/zinc/68/67/43/432686743.db2.gz QFNPUVFIAIPDFM-RBSFLKMASA-N 2 1 306.450 3.146 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000178039718 432688009 /nfs/dbraw/zinc/68/80/09/432688009.db2.gz AUBNKKAHAHLGQK-XHSDSOJGSA-N 2 1 308.441 3.366 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236665244 432754727 /nfs/dbraw/zinc/75/47/27/432754727.db2.gz ALGJLZSPIUWZDX-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCC1 ZINC000178616245 432758589 /nfs/dbraw/zinc/75/85/89/432758589.db2.gz LDEYETRVPIXERN-HOTGVXAUSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCC1 ZINC000178616245 432758595 /nfs/dbraw/zinc/75/85/95/432758595.db2.gz LDEYETRVPIXERN-HOTGVXAUSA-N 2 1 302.462 3.186 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000178657571 432762866 /nfs/dbraw/zinc/76/28/66/432762866.db2.gz VANVNFQBAJNPGV-INIZCTEOSA-N 2 1 320.477 3.237 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000178657559 432763939 /nfs/dbraw/zinc/76/39/39/432763939.db2.gz VANVNFQBAJNPGV-MRXNPFEDSA-N 2 1 320.477 3.237 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000178705166 432768876 /nfs/dbraw/zinc/76/88/76/432768876.db2.gz PGIPKFGRFUJWJN-KBXCAEBGSA-N 2 1 315.486 3.448 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275499495 432727227 /nfs/dbraw/zinc/72/72/27/432727227.db2.gz MAWFRAJDKPTPEC-UFYCRDLUSA-N 2 1 316.489 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2)CC[N@H+]1C ZINC000178424503 432733880 /nfs/dbraw/zinc/73/38/80/432733880.db2.gz GCGAYMBYCBAING-DOMZBBRYSA-N 2 1 311.267 3.064 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc(Br)cs2)CC[NH2+]1 ZINC000235379444 432741468 /nfs/dbraw/zinc/74/14/68/432741468.db2.gz ALKNEJOQBLXJNR-MNOVXSKESA-N 2 1 317.296 3.331 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000162245177 432817660 /nfs/dbraw/zinc/81/76/60/432817660.db2.gz DFGYCCVRDDPAAX-LJQANCHMSA-N 2 1 322.456 3.339 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000267292339 432829915 /nfs/dbraw/zinc/82/99/15/432829915.db2.gz YEHFOKUTOGINQP-INIZCTEOSA-N 2 1 312.457 3.337 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000245469096 432836224 /nfs/dbraw/zinc/83/62/24/432836224.db2.gz UQMDHIYUDDQXFV-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)C2CC2)cc1 ZINC000178956143 432791193 /nfs/dbraw/zinc/79/11/93/432791193.db2.gz HWKYGNXLPWERHD-OAHLLOKOSA-N 2 1 302.462 3.295 20 0 DGADMP CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178973101 432791825 /nfs/dbraw/zinc/79/18/25/432791825.db2.gz LAKMZXKFIHRSNP-QGZVFWFLSA-N 2 1 322.880 3.492 20 0 DGADMP CC(C)Oc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277694888 432870629 /nfs/dbraw/zinc/87/06/29/432870629.db2.gz HRSNILBQXIVHTI-KRWDZBQOSA-N 2 1 320.477 3.064 20 0 DGADMP CC(C)Oc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277694894 432870769 /nfs/dbraw/zinc/87/07/69/432870769.db2.gz HRSNILBQXIVHTI-QGZVFWFLSA-N 2 1 320.477 3.064 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000245981571 432873945 /nfs/dbraw/zinc/87/39/45/432873945.db2.gz PLEZIIFDLQNWTN-HZPDHXFCSA-N 2 1 312.498 3.351 20 0 DGADMP Clc1ccc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000296325120 432895920 /nfs/dbraw/zinc/89/59/20/432895920.db2.gz FZKWYFPRYOWHIY-GXTWGEPZSA-N 2 1 316.836 3.161 20 0 DGADMP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277375825 432843775 /nfs/dbraw/zinc/84/37/75/432843775.db2.gz GABZCZWZERZMNY-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277375825 432843780 /nfs/dbraw/zinc/84/37/80/432843780.db2.gz GABZCZWZERZMNY-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000277408988 432846778 /nfs/dbraw/zinc/84/67/78/432846778.db2.gz IHXQFKPPSWVZJS-QGZVFWFLSA-N 2 1 316.424 3.132 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000277408988 432846781 /nfs/dbraw/zinc/84/67/81/432846781.db2.gz IHXQFKPPSWVZJS-QGZVFWFLSA-N 2 1 316.424 3.132 20 0 DGADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120484 432847106 /nfs/dbraw/zinc/84/71/06/432847106.db2.gz NOPKZMOQUTWNCZ-NEWSRXKRSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000163272341 432848107 /nfs/dbraw/zinc/84/81/07/432848107.db2.gz QWBOYIAPRNIHGS-ABSDTBQOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000163272341 432848109 /nfs/dbraw/zinc/84/81/09/432848109.db2.gz QWBOYIAPRNIHGS-ABSDTBQOSA-N 2 1 316.489 3.444 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000245637173 432851082 /nfs/dbraw/zinc/85/10/82/432851082.db2.gz ACTMKCZWHOEHRL-YSTOQKLRSA-N 2 1 314.473 3.197 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245638315 432851745 /nfs/dbraw/zinc/85/17/45/432851745.db2.gz AGSYAWVKIMNDNN-IYWMVGAKSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245638318 432852042 /nfs/dbraw/zinc/85/20/42/432852042.db2.gz AGSYAWVKIMNDNN-YRPNKDGESA-N 2 1 316.489 3.179 20 0 DGADMP CCOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245665515 432854458 /nfs/dbraw/zinc/85/44/58/432854458.db2.gz GNBBORSNQJUUBF-LDLYASANSA-N 2 1 302.462 3.198 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277491415 432854841 /nfs/dbraw/zinc/85/48/41/432854841.db2.gz NJZFRTGPGSZMCB-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277491415 432854842 /nfs/dbraw/zinc/85/48/42/432854842.db2.gz NJZFRTGPGSZMCB-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)[C@H]1c1cccs1 ZINC000245687705 432855693 /nfs/dbraw/zinc/85/56/93/432855693.db2.gz NQAXOAZEHRFMDH-WBVHZDCISA-N 2 1 306.475 3.067 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)[C@H]1c1cccs1 ZINC000245687705 432855696 /nfs/dbraw/zinc/85/56/96/432855696.db2.gz NQAXOAZEHRFMDH-WBVHZDCISA-N 2 1 306.475 3.067 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000245683565 432856032 /nfs/dbraw/zinc/85/60/32/432856032.db2.gz UQYHDVUROYUXNO-SQNIBIBYSA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000245683565 432856035 /nfs/dbraw/zinc/85/60/35/432856035.db2.gz UQYHDVUROYUXNO-SQNIBIBYSA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000245683565 432856039 /nfs/dbraw/zinc/85/60/39/432856039.db2.gz UQYHDVUROYUXNO-SQNIBIBYSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245707717 432857677 /nfs/dbraw/zinc/85/76/77/432857677.db2.gz MUYKXIURSCQHAS-AEEMCCEDSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278971502 432923498 /nfs/dbraw/zinc/92/34/98/432923498.db2.gz NQCYNBGLWCRLCN-HKUYNNGSSA-N 2 1 309.457 3.365 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000278990214 432924629 /nfs/dbraw/zinc/92/46/29/432924629.db2.gz PXVBGFOQJWRYKJ-LRDDRELGSA-N 2 1 305.372 3.465 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cnc2ccsc2c1 ZINC000279000554 432924971 /nfs/dbraw/zinc/92/49/71/432924971.db2.gz RHSNVRKIVUWCTG-OLZOCXBDSA-N 2 1 312.442 3.406 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279029257 432928110 /nfs/dbraw/zinc/92/81/10/432928110.db2.gz VWYRMHJIPAGUNF-STQMWFEESA-N 2 1 321.371 3.398 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nc2c(s1)CCCC2 ZINC000279030778 432928345 /nfs/dbraw/zinc/92/83/45/432928345.db2.gz WENVIWBHDNNKGG-CHWSQXEVSA-N 2 1 316.474 3.132 20 0 DGADMP Cc1ccncc1CCC[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000289328507 432944629 /nfs/dbraw/zinc/94/46/29/432944629.db2.gz UPMCPHQZKCMXHE-UHFFFAOYSA-N 2 1 323.484 3.361 20 0 DGADMP Cc1ccncc1CCC[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000289328507 432944631 /nfs/dbraw/zinc/94/46/31/432944631.db2.gz UPMCPHQZKCMXHE-UHFFFAOYSA-N 2 1 323.484 3.361 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000296325129 432896425 /nfs/dbraw/zinc/89/64/25/432896425.db2.gz FZKWYFPRYOWHIY-OCCSQVGLSA-N 2 1 316.836 3.161 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000278954511 432921439 /nfs/dbraw/zinc/92/14/39/432921439.db2.gz LUIDWMUMOIPHDT-CJNGLKHVSA-N 2 1 315.392 3.088 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CC[NH+](C)CC1 ZINC000289410486 432956678 /nfs/dbraw/zinc/95/66/78/432956678.db2.gz AGAREFYZPNJBNN-ACCUITESSA-N 2 1 310.388 3.375 20 0 DGADMP Cc1ncc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000280394701 433045460 /nfs/dbraw/zinc/04/54/60/433045460.db2.gz KNYYPPXRHFBCPC-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000280340840 433036829 /nfs/dbraw/zinc/03/68/29/433036829.db2.gz QPNVDMTZUUKSSA-CABCVRRESA-N 2 1 318.461 3.047 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(CC(C)C)c1 ZINC000290364550 433039412 /nfs/dbraw/zinc/03/94/12/433039412.db2.gz HAFKGTMYPOJHDS-UHFFFAOYSA-N 2 1 317.481 3.210 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(CC(C)C)c1 ZINC000290364550 433039417 /nfs/dbraw/zinc/03/94/17/433039417.db2.gz HAFKGTMYPOJHDS-UHFFFAOYSA-N 2 1 317.481 3.210 20 0 DGADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000349965332 433042749 /nfs/dbraw/zinc/04/27/49/433042749.db2.gz FKOCBOODJCSFAA-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CC2(C[N@@H+]1Cc1noc(C3CCCCC3)n1)CC[NH2+]CC2 ZINC000333368032 433051500 /nfs/dbraw/zinc/05/15/00/433051500.db2.gz FBEVYGUZIXEJRY-AWEZNQCLSA-N 2 1 318.465 3.081 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1noc(C3CCCCC3)n1)CC[NH2+]CC2 ZINC000333368032 433051503 /nfs/dbraw/zinc/05/15/03/433051503.db2.gz FBEVYGUZIXEJRY-AWEZNQCLSA-N 2 1 318.465 3.081 20 0 DGADMP CC1CC[NH+](C2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)CC1 ZINC000333293800 433047303 /nfs/dbraw/zinc/04/73/03/433047303.db2.gz GHYJPJYBHIVWKI-UHFFFAOYSA-N 2 1 313.449 3.413 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)ccc1OC ZINC000290419787 433047872 /nfs/dbraw/zinc/04/78/72/433047872.db2.gz KOUSOAHYYNNDTQ-CRAIPNDOSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290419787 433047875 /nfs/dbraw/zinc/04/78/75/433047875.db2.gz KOUSOAHYYNNDTQ-CRAIPNDOSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290419787 433047882 /nfs/dbraw/zinc/04/78/82/433047882.db2.gz KOUSOAHYYNNDTQ-CRAIPNDOSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000290419787 433047887 /nfs/dbraw/zinc/04/78/87/433047887.db2.gz KOUSOAHYYNNDTQ-CRAIPNDOSA-N 2 1 320.477 3.004 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000290447039 433054332 /nfs/dbraw/zinc/05/43/32/433054332.db2.gz VURWQTDFXDLKND-HNNXBMFYSA-N 2 1 317.433 3.164 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nccn3-c3ccccc3)C2)CC1 ZINC000290523490 433078466 /nfs/dbraw/zinc/07/84/66/433078466.db2.gz QFMPBOIWTFGLFM-GOSISDBHSA-N 2 1 324.472 3.036 20 0 DGADMP CN(C)CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000298282580 433078831 /nfs/dbraw/zinc/07/88/31/433078831.db2.gz GWSGHVAIRYZSAW-GOSISDBHSA-N 2 1 318.509 3.006 20 0 DGADMP C[NH2+]C[C@H](C)CNc1cc[nH+]c2cc(Br)ccc12 ZINC000420208372 433123449 /nfs/dbraw/zinc/12/34/49/433123449.db2.gz QWSUSSVMEBJJPK-JTQLQIEISA-N 2 1 308.223 3.265 20 0 DGADMP Fc1cccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420300771 433154462 /nfs/dbraw/zinc/15/44/62/433154462.db2.gz KMHKVFXUMMPFNH-LPHOPBHVSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388621 433146516 /nfs/dbraw/zinc/14/65/16/433146516.db2.gz BTIHTSJLOVTFHW-FXAWDEMLSA-N 3 1 321.553 3.494 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000420295226 433147998 /nfs/dbraw/zinc/14/79/98/433147998.db2.gz BYOZBTPYNXFPEI-XZKMEQPCSA-N 2 1 302.462 3.391 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453391600 433148407 /nfs/dbraw/zinc/14/84/07/433148407.db2.gz DVLJQVSTLXEPBV-AWEZNQCLSA-N 2 1 303.450 3.170 20 0 DGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000420295250 433149251 /nfs/dbraw/zinc/14/92/51/433149251.db2.gz VCFXZIHCCJAVOC-UHFFFAOYSA-N 2 1 318.417 3.026 20 0 DGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420295250 433149262 /nfs/dbraw/zinc/14/92/62/433149262.db2.gz VCFXZIHCCJAVOC-UHFFFAOYSA-N 2 1 318.417 3.026 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)C1 ZINC000361396904 433149298 /nfs/dbraw/zinc/14/92/98/433149298.db2.gz VRKAAAYMLIUZSI-FQBWVUSXSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)C1 ZINC000361396904 433149306 /nfs/dbraw/zinc/14/93/06/433149306.db2.gz VRKAAAYMLIUZSI-FQBWVUSXSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)C1 ZINC000361396904 433149310 /nfs/dbraw/zinc/14/93/10/433149310.db2.gz VRKAAAYMLIUZSI-FQBWVUSXSA-N 2 1 308.510 3.122 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cn1 ZINC000354565740 433150055 /nfs/dbraw/zinc/15/00/55/433150055.db2.gz HUXRJAKRHHGJQT-FQEVSTJZSA-N 2 1 310.441 3.266 20 0 DGADMP Cc1ccc(CCCN2CCO[C@@H](Cc3ccccc3)C2)cn1 ZINC000354565740 433150065 /nfs/dbraw/zinc/15/00/65/433150065.db2.gz HUXRJAKRHHGJQT-FQEVSTJZSA-N 2 1 310.441 3.266 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000361336434 433116466 /nfs/dbraw/zinc/11/64/66/433116466.db2.gz NURFAIPYTIDCRQ-IEBWSBKVSA-N 2 1 320.452 3.246 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000290921057 433208055 /nfs/dbraw/zinc/20/80/55/433208055.db2.gz QNGOJXZEOORAQB-SFHVURJKSA-N 2 1 318.530 3.426 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300284 433155440 /nfs/dbraw/zinc/15/54/40/433155440.db2.gz JWAUNWRIFHKXQW-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300284 433155446 /nfs/dbraw/zinc/15/54/46/433155446.db2.gz JWAUNWRIFHKXQW-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP Fc1cccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420300772 433155894 /nfs/dbraw/zinc/15/58/94/433155894.db2.gz KMHKVFXUMMPFNH-QFBILLFUSA-N 2 1 320.452 3.196 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000420304156 433156501 /nfs/dbraw/zinc/15/65/01/433156501.db2.gz LBRUAPIMFUFCDU-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420314541 433158767 /nfs/dbraw/zinc/15/87/67/433158767.db2.gz KINMFVGDYYUNPD-APWZRJJASA-N 2 1 301.478 3.279 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420314542 433162765 /nfs/dbraw/zinc/16/27/65/433162765.db2.gz KINMFVGDYYUNPD-LPHOPBHVSA-N 2 1 301.478 3.279 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000453407618 433163807 /nfs/dbraw/zinc/16/38/07/433163807.db2.gz SEATZSIHZXYPNC-KRWDZBQOSA-N 2 1 318.461 3.373 20 0 DGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329221 433163864 /nfs/dbraw/zinc/16/38/64/433163864.db2.gz OCBQTQBQTGFISV-DOTOQJQBSA-N 2 1 322.880 3.478 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000420328464 433167426 /nfs/dbraw/zinc/16/74/26/433167426.db2.gz ZNUCRKHVOVWALY-OAHLLOKOSA-N 2 1 320.383 3.148 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000420328464 433167431 /nfs/dbraw/zinc/16/74/31/433167431.db2.gz ZNUCRKHVOVWALY-OAHLLOKOSA-N 2 1 320.383 3.148 20 0 DGADMP CC(C)COCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321239 433167714 /nfs/dbraw/zinc/16/77/14/433167714.db2.gz ZTQCPINKDQVDDS-KRWDZBQOSA-N 2 1 322.518 3.365 20 0 DGADMP CCCCc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000420331447 433167741 /nfs/dbraw/zinc/16/77/41/433167741.db2.gz DYUJBYDIWBQGQP-INIZCTEOSA-N 2 1 307.507 3.450 20 0 DGADMP c1csc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420337733 433169519 /nfs/dbraw/zinc/16/95/19/433169519.db2.gz WZMBZRZHLBRISP-KGLIPLIRSA-N 2 1 317.458 3.225 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cnc(C)cn2)cc1 ZINC000453420104 433171448 /nfs/dbraw/zinc/17/14/48/433171448.db2.gz ZDCIALNIEURCQM-OAHLLOKOSA-N 2 1 321.428 3.172 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000420360297 433175726 /nfs/dbraw/zinc/17/57/26/433175726.db2.gz LVIQFWOEOGGXKJ-OAHLLOKOSA-N 2 1 320.383 3.148 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000420360297 433175731 /nfs/dbraw/zinc/17/57/31/433175731.db2.gz LVIQFWOEOGGXKJ-OAHLLOKOSA-N 2 1 320.383 3.148 20 0 DGADMP CCC(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706229 433177541 /nfs/dbraw/zinc/17/75/41/433177541.db2.gz IHSHOEBVACEPHL-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706229 433177550 /nfs/dbraw/zinc/17/75/50/433177550.db2.gz IHSHOEBVACEPHL-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706229 433177560 /nfs/dbraw/zinc/17/75/60/433177560.db2.gz IHSHOEBVACEPHL-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706229 433177567 /nfs/dbraw/zinc/17/75/67/433177567.db2.gz IHSHOEBVACEPHL-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)c1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298565897 433181219 /nfs/dbraw/zinc/18/12/19/433181219.db2.gz WMUZXOGVWLUZCG-UHFFFAOYSA-N 2 1 302.462 3.405 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420367546 433181605 /nfs/dbraw/zinc/18/16/05/433181605.db2.gz GYJINASUDSZTGN-UKRRQHHQSA-N 2 1 312.379 3.494 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@H](C)C1 ZINC000453433514 433182499 /nfs/dbraw/zinc/18/24/99/433182499.db2.gz SPBRCYAWQBVTPT-GDBMZVCRSA-N 2 1 318.452 3.148 20 0 DGADMP CC(C)OCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336722324 433183769 /nfs/dbraw/zinc/18/37/69/433183769.db2.gz VSAPBQMCLYYALR-WOJBJXKFSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336722324 433183777 /nfs/dbraw/zinc/18/37/77/433183777.db2.gz VSAPBQMCLYYALR-WOJBJXKFSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336722324 433183782 /nfs/dbraw/zinc/18/37/82/433183782.db2.gz VSAPBQMCLYYALR-WOJBJXKFSA-N 2 1 316.489 3.255 20 0 DGADMP Fc1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CCOCC2)cc1 ZINC000420367792 433183853 /nfs/dbraw/zinc/18/38/53/433183853.db2.gz WDNBWKYIBIQQBK-UHFFFAOYSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000336719368 433186088 /nfs/dbraw/zinc/18/60/88/433186088.db2.gz RYRUPTDLASMXCQ-HKUYNNGSSA-N 3 1 303.494 3.006 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCCOCCc1ccccc1)C1CCCCC1 ZINC000420376854 433187144 /nfs/dbraw/zinc/18/71/44/433187144.db2.gz VMQVBZAQSOOUDH-LJQANCHMSA-N 2 1 304.478 3.133 20 0 DGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420372119 433187448 /nfs/dbraw/zinc/18/74/48/433187448.db2.gz LBKDWTYQYRAODK-JKSUJKDBSA-N 2 1 322.880 3.430 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000336854248 433190601 /nfs/dbraw/zinc/19/06/01/433190601.db2.gz NMEPMPQZOYSQGY-GXTWGEPZSA-N 2 1 324.852 3.074 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000336854248 433190616 /nfs/dbraw/zinc/19/06/16/433190616.db2.gz NMEPMPQZOYSQGY-GXTWGEPZSA-N 2 1 324.852 3.074 20 0 DGADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@H]1CC[NH2+]C1 ZINC000420383372 433192935 /nfs/dbraw/zinc/19/29/35/433192935.db2.gz ZLFDTEUZQUXSAJ-CABCVRRESA-N 2 1 319.518 3.201 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000420409286 433202451 /nfs/dbraw/zinc/20/24/51/433202451.db2.gz QKHHRSQDXUCQLN-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000420409286 433202464 /nfs/dbraw/zinc/20/24/64/433202464.db2.gz QKHHRSQDXUCQLN-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000374498752 433204162 /nfs/dbraw/zinc/20/41/62/433204162.db2.gz WHKVHSCHXJIDEL-AGRHKRQWSA-N 2 1 311.429 3.399 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000291080425 433218492 /nfs/dbraw/zinc/21/84/92/433218492.db2.gz BYCWBYKIGHDJJH-NSISKUIASA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000291080425 433218504 /nfs/dbraw/zinc/21/85/04/433218504.db2.gz BYCWBYKIGHDJJH-NSISKUIASA-N 2 1 316.489 3.444 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000447544516 433221499 /nfs/dbraw/zinc/22/14/99/433221499.db2.gz VVCHDCLYDLBWOC-OWCLPIDISA-N 2 1 308.466 3.436 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453595003 433225047 /nfs/dbraw/zinc/22/50/47/433225047.db2.gz JKFADMVWWJHFQZ-UHFFFAOYSA-N 2 1 312.461 3.349 20 0 DGADMP O[C@]1(C[NH2+]CCC2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000361586351 433263732 /nfs/dbraw/zinc/26/37/32/433263732.db2.gz SEIMUWGLQVMKMP-FQEVSTJZSA-N 2 1 316.489 3.183 20 0 DGADMP O[C@]1(C[NH2+]CCC2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000361586351 433263741 /nfs/dbraw/zinc/26/37/41/433263741.db2.gz SEIMUWGLQVMKMP-FQEVSTJZSA-N 2 1 316.489 3.183 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000374960812 433319670 /nfs/dbraw/zinc/31/96/70/433319670.db2.gz GZHNWUDQJSXKSK-VAMGGRTRSA-N 2 1 321.553 3.303 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420930838 433326462 /nfs/dbraw/zinc/32/64/62/433326462.db2.gz SMEGCAQOVUUZJE-ZBFHGGJFSA-N 2 1 321.465 3.024 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420930838 433326470 /nfs/dbraw/zinc/32/64/70/433326470.db2.gz SMEGCAQOVUUZJE-ZBFHGGJFSA-N 2 1 321.465 3.024 20 0 DGADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000354811334 433289608 /nfs/dbraw/zinc/28/96/08/433289608.db2.gz WHKRQDAOYJJRBJ-YSIASYRMSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H](C1CC1)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420899584 433297229 /nfs/dbraw/zinc/29/72/29/433297229.db2.gz GBFHWBUAHPFAJK-INIZCTEOSA-N 2 1 314.473 3.282 20 0 DGADMP C[C@@H](C1CC1)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420899584 433297241 /nfs/dbraw/zinc/29/72/41/433297241.db2.gz GBFHWBUAHPFAJK-INIZCTEOSA-N 2 1 314.473 3.282 20 0 DGADMP Cc1csc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895253 433301264 /nfs/dbraw/zinc/30/12/64/433301264.db2.gz MRQJJDNDJMMCSW-NVXWUHKLSA-N 2 1 315.486 3.452 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051144 433306124 /nfs/dbraw/zinc/30/61/24/433306124.db2.gz SCQYFUPHHZBEFE-POAQFYNOSA-N 2 1 316.489 3.353 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354843723 433311919 /nfs/dbraw/zinc/31/19/19/433311919.db2.gz HGRPTHYEPJFFPN-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354843723 433311928 /nfs/dbraw/zinc/31/19/28/433311928.db2.gz HGRPTHYEPJFFPN-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354843723 433311940 /nfs/dbraw/zinc/31/19/40/433311940.db2.gz HGRPTHYEPJFFPN-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCC3CCCCC3)C2)CC1 ZINC000375058800 433346377 /nfs/dbraw/zinc/34/63/77/433346377.db2.gz KWMROQBGGQVVOQ-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960822 433350938 /nfs/dbraw/zinc/35/09/38/433350938.db2.gz HZMGRKKUPGXAJX-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960822 433350950 /nfs/dbraw/zinc/35/09/50/433350950.db2.gz HZMGRKKUPGXAJX-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960822 433350959 /nfs/dbraw/zinc/35/09/59/433350959.db2.gz HZMGRKKUPGXAJX-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420976204 433358905 /nfs/dbraw/zinc/35/89/05/433358905.db2.gz QTYZIULHUJLIGT-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420976204 433358915 /nfs/dbraw/zinc/35/89/15/433358915.db2.gz QTYZIULHUJLIGT-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3C=CCCCCC3)CC2)CC1 ZINC000420985511 433366930 /nfs/dbraw/zinc/36/69/30/433366930.db2.gz WCIDXCPBZNMDKE-IBGZPJMESA-N 2 1 319.537 3.367 20 0 DGADMP COCCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000281633371 433329258 /nfs/dbraw/zinc/32/92/58/433329258.db2.gz DGPYINSTRJCDKK-DNVCBOLYSA-N 2 1 320.452 3.367 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000281626202 433331892 /nfs/dbraw/zinc/33/18/92/433331892.db2.gz CQWRRWPFHPWCPL-HZPDHXFCSA-N 2 1 311.473 3.345 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000339067968 433342269 /nfs/dbraw/zinc/34/22/69/433342269.db2.gz OSAQYNPEDKNYIO-HRCADAONSA-N 2 1 318.461 3.290 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339071049 433342665 /nfs/dbraw/zinc/34/26/65/433342665.db2.gz PPOORZFWTOJIKL-GTAWCEEGSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339071049 433342686 /nfs/dbraw/zinc/34/26/86/433342686.db2.gz PPOORZFWTOJIKL-GTAWCEEGSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339071049 433342697 /nfs/dbraw/zinc/34/26/97/433342697.db2.gz PPOORZFWTOJIKL-GTAWCEEGSA-N 2 1 313.489 3.038 20 0 DGADMP Brc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067584 433342839 /nfs/dbraw/zinc/34/28/39/433342839.db2.gz MPSINSRSFGOLJL-HUUCEWRRSA-N 2 1 323.278 3.208 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174024 433431141 /nfs/dbraw/zinc/43/11/41/433431141.db2.gz XYJWLNLXRRLHSO-GJZGRUSLSA-N 2 1 308.466 3.042 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174024 433431149 /nfs/dbraw/zinc/43/11/49/433431149.db2.gz XYJWLNLXRRLHSO-GJZGRUSLSA-N 2 1 308.466 3.042 20 0 DGADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@H]2C1 ZINC000425988418 433392860 /nfs/dbraw/zinc/39/28/60/433392860.db2.gz NNRVCPBOFHLMSN-OKILXGFUSA-N 2 1 300.377 3.079 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]2C1 ZINC000425988418 433392869 /nfs/dbraw/zinc/39/28/69/433392869.db2.gz NNRVCPBOFHLMSN-OKILXGFUSA-N 2 1 300.377 3.079 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]2C1 ZINC000425988418 433392875 /nfs/dbraw/zinc/39/28/75/433392875.db2.gz NNRVCPBOFHLMSN-OKILXGFUSA-N 2 1 300.377 3.079 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]2C1 ZINC000425988418 433392886 /nfs/dbraw/zinc/39/28/86/433392886.db2.gz NNRVCPBOFHLMSN-OKILXGFUSA-N 2 1 300.377 3.079 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]2C1 ZINC000425988418 433392898 /nfs/dbraw/zinc/39/28/98/433392898.db2.gz NNRVCPBOFHLMSN-OKILXGFUSA-N 2 1 300.377 3.079 20 0 DGADMP Cc1ccccc1CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425987465 433393769 /nfs/dbraw/zinc/39/37/69/433393769.db2.gz ZRRPTTSROCZHML-NRFANRHFSA-N 2 1 324.468 3.064 20 0 DGADMP Cc1ccccc1CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425987465 433393780 /nfs/dbraw/zinc/39/37/80/433393780.db2.gz ZRRPTTSROCZHML-NRFANRHFSA-N 2 1 324.468 3.064 20 0 DGADMP CC[NH+](CC)CCCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000351187900 433405470 /nfs/dbraw/zinc/40/54/70/433405470.db2.gz WEWMYDFOHORVMI-LJQANCHMSA-N 2 1 317.521 3.315 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414134240 433418448 /nfs/dbraw/zinc/41/84/48/433418448.db2.gz NRVCLGYSBPEUCA-SZMVWBNQSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414134240 433418455 /nfs/dbraw/zinc/41/84/55/433418455.db2.gz NRVCLGYSBPEUCA-SZMVWBNQSA-N 2 1 322.880 3.022 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000355049659 433438416 /nfs/dbraw/zinc/43/84/16/433438416.db2.gz GBMCDRHYTOIOAI-UHFFFAOYSA-N 2 1 301.409 3.367 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414174972 433441229 /nfs/dbraw/zinc/44/12/29/433441229.db2.gz HWDYCXPKKHVCPH-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CCc1nocc1CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000339213515 433442330 /nfs/dbraw/zinc/44/23/30/433442330.db2.gz JIBYMJDLXYGAMZ-AWEZNQCLSA-N 2 1 319.474 3.300 20 0 DGADMP CCc1nocc1C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000339213515 433442341 /nfs/dbraw/zinc/44/23/41/433442341.db2.gz JIBYMJDLXYGAMZ-AWEZNQCLSA-N 2 1 319.474 3.300 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414174969 433443015 /nfs/dbraw/zinc/44/30/15/433443015.db2.gz HWDYCXPKKHVCPH-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000414186090 433450799 /nfs/dbraw/zinc/45/07/99/433450799.db2.gz OXBHCBFIWFSHEO-FXAWDEMLSA-N 2 1 309.457 3.493 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000414200651 433458911 /nfs/dbraw/zinc/45/89/11/433458911.db2.gz XNEVMVACWJPJBS-ZBFHGGJFSA-N 2 1 306.498 3.329 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000414202901 433459197 /nfs/dbraw/zinc/45/91/97/433459197.db2.gz ZLVUKBGFSMHANM-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]21 ZINC000342085324 433459762 /nfs/dbraw/zinc/45/97/62/433459762.db2.gz MPIYLQIEJHCYKO-VNQPRFMTSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]21 ZINC000342085324 433459773 /nfs/dbraw/zinc/45/97/73/433459773.db2.gz MPIYLQIEJHCYKO-VNQPRFMTSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@@H]21 ZINC000342101391 433468518 /nfs/dbraw/zinc/46/85/18/433468518.db2.gz KOBDVDADEHHGOZ-JKIFEVAISA-N 2 1 315.848 3.447 20 0 DGADMP CCCC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443294 433513319 /nfs/dbraw/zinc/51/33/19/433513319.db2.gz MPEUMZVZMAYENY-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443294 433513327 /nfs/dbraw/zinc/51/33/27/433513327.db2.gz MPEUMZVZMAYENY-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443294 433513331 /nfs/dbraw/zinc/51/33/31/433513331.db2.gz MPEUMZVZMAYENY-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443294 433513338 /nfs/dbraw/zinc/51/33/38/433513338.db2.gz MPEUMZVZMAYENY-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443294 433513345 /nfs/dbraw/zinc/51/33/45/433513345.db2.gz MPEUMZVZMAYENY-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]12 ZINC000351477325 433520276 /nfs/dbraw/zinc/52/02/76/433520276.db2.gz NJBKKPXBBYIWMN-CEWLAPEOSA-N 2 1 322.452 3.435 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)C(C)C ZINC000414299988 433525441 /nfs/dbraw/zinc/52/54/41/433525441.db2.gz RZSXMTZGESTZGW-RTBURBONSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1Cl ZINC000282239952 433538957 /nfs/dbraw/zinc/53/89/57/433538957.db2.gz JACXHVVWGZCCIC-AWEZNQCLSA-N 2 1 309.885 3.017 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414260848 433493899 /nfs/dbraw/zinc/49/38/99/433493899.db2.gz NDWRQJMWYXHGHZ-NLPMXTIOSA-N 2 1 316.489 3.300 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000362022119 433494375 /nfs/dbraw/zinc/49/43/75/433494375.db2.gz GGXZLFLOWOGBIR-IEBWSBKVSA-N 2 1 313.445 3.480 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414333796 433550692 /nfs/dbraw/zinc/55/06/92/433550692.db2.gz BABJWHJLTAGGAB-KEYYUXOJSA-N 2 1 317.452 3.321 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414333796 433550700 /nfs/dbraw/zinc/55/07/00/433550700.db2.gz BABJWHJLTAGGAB-KEYYUXOJSA-N 2 1 317.452 3.321 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000342225005 433552650 /nfs/dbraw/zinc/55/26/50/433552650.db2.gz OUMXGQJCSUMPNO-SJORKVTESA-N 2 1 310.869 3.228 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000282282896 433552856 /nfs/dbraw/zinc/55/28/56/433552856.db2.gz RSRMVSUIIBXPJL-IBGZPJMESA-N 2 1 316.489 3.447 20 0 DGADMP CCc1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000414358379 433567697 /nfs/dbraw/zinc/56/76/97/433567697.db2.gz BZFGCJBYINLRFQ-IRXDYDNUSA-N 2 1 304.482 3.029 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]Cc2csc3ccccc23)CC1(C)C ZINC000282354590 433577021 /nfs/dbraw/zinc/57/70/21/433577021.db2.gz MWSBJMDJFWGHOR-UHFFFAOYSA-N 2 1 317.502 3.017 20 0 DGADMP CCc1nocc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351569526 433583855 /nfs/dbraw/zinc/58/38/55/433583855.db2.gz USRVIXLYWBNOIA-QGZVFWFLSA-N 2 1 313.445 3.191 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437965 433584987 /nfs/dbraw/zinc/58/49/87/433584987.db2.gz IJXUYSDHRMQXRM-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437965 433584994 /nfs/dbraw/zinc/58/49/94/433584994.db2.gz IJXUYSDHRMQXRM-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437965 433585002 /nfs/dbraw/zinc/58/50/02/433585002.db2.gz IJXUYSDHRMQXRM-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccs1 ZINC000351573683 433587376 /nfs/dbraw/zinc/58/73/76/433587376.db2.gz LBDOOWOHNFJHTO-RDJZCZTQSA-N 2 1 310.507 3.270 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccs1 ZINC000351573683 433587383 /nfs/dbraw/zinc/58/73/83/433587383.db2.gz LBDOOWOHNFJHTO-RDJZCZTQSA-N 2 1 310.507 3.270 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H](O)CN(C)C2CC2)cc1 ZINC000351518412 433545373 /nfs/dbraw/zinc/54/53/73/433545373.db2.gz LXOWMPSHNDPRBV-AHRSYUTCSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351518412 433545394 /nfs/dbraw/zinc/54/53/94/433545394.db2.gz LXOWMPSHNDPRBV-AHRSYUTCSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351518412 433545400 /nfs/dbraw/zinc/54/54/00/433545400.db2.gz LXOWMPSHNDPRBV-AHRSYUTCSA-N 2 1 316.489 3.223 20 0 DGADMP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000455662348 433548131 /nfs/dbraw/zinc/54/81/31/433548131.db2.gz QSJOIFPXNSQAFN-CRAIPNDOSA-N 2 1 302.462 3.468 20 0 DGADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000375998943 433636393 /nfs/dbraw/zinc/63/63/93/433636393.db2.gz IODJNZLNBMBNNY-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000362328753 433649077 /nfs/dbraw/zinc/64/90/77/433649077.db2.gz VQZYBCHZFCEQRW-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCO[C@@H](CF)C1 ZINC000414477019 433646781 /nfs/dbraw/zinc/64/67/81/433646781.db2.gz LCWHAJIKRILLOO-SFHVURJKSA-N 2 1 322.468 3.205 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCO[C@@H](CF)C1 ZINC000414477019 433646786 /nfs/dbraw/zinc/64/67/86/433646786.db2.gz LCWHAJIKRILLOO-SFHVURJKSA-N 2 1 322.468 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000414477019 433646792 /nfs/dbraw/zinc/64/67/92/433646792.db2.gz LCWHAJIKRILLOO-SFHVURJKSA-N 2 1 322.468 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCO[C@@H](CF)C1 ZINC000414477019 433646797 /nfs/dbraw/zinc/64/67/97/433646797.db2.gz LCWHAJIKRILLOO-SFHVURJKSA-N 2 1 322.468 3.205 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000362328753 433649083 /nfs/dbraw/zinc/64/90/83/433649083.db2.gz VQZYBCHZFCEQRW-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000362328753 433649090 /nfs/dbraw/zinc/64/90/90/433649090.db2.gz VQZYBCHZFCEQRW-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000165267276 292878570 /nfs/dbraw/zinc/87/85/70/292878570.db2.gz HZLUUFKYLYCRAJ-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1csc(Cl)c1 ZINC000282415397 433601956 /nfs/dbraw/zinc/60/19/56/433601956.db2.gz SJAULOXHVROQAH-GFCCVEGCSA-N 2 1 315.914 3.078 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000376105188 433667811 /nfs/dbraw/zinc/66/78/11/433667811.db2.gz WQOTZLWYAFLFDI-FAJAVTLNSA-N 2 1 316.489 3.410 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000376105188 433667818 /nfs/dbraw/zinc/66/78/18/433667818.db2.gz WQOTZLWYAFLFDI-FAJAVTLNSA-N 2 1 316.489 3.410 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028678 433685880 /nfs/dbraw/zinc/68/58/80/433685880.db2.gz MJGDLEAIJZJRAR-GJZGRUSLSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028678 433685888 /nfs/dbraw/zinc/68/58/88/433685888.db2.gz MJGDLEAIJZJRAR-GJZGRUSLSA-N 2 1 308.416 3.486 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000356770027 433687906 /nfs/dbraw/zinc/68/79/06/433687906.db2.gz IHVUOOHJFCIMFB-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000356770027 433687914 /nfs/dbraw/zinc/68/79/14/433687914.db2.gz IHVUOOHJFCIMFB-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[NH+](C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000283195694 433690056 /nfs/dbraw/zinc/69/00/56/433690056.db2.gz KYHJQAACLNISKY-KSZLIROESA-N 2 1 321.896 3.159 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966289 293009209 /nfs/dbraw/zinc/00/92/09/293009209.db2.gz MTHIQJCBVLGMJX-JZXOWHBKSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966289 293009210 /nfs/dbraw/zinc/00/92/10/293009210.db2.gz MTHIQJCBVLGMJX-JZXOWHBKSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000367057612 293018614 /nfs/dbraw/zinc/01/86/14/293018614.db2.gz LGRGVFOTJJXYLU-MSOLQXFVSA-N 2 1 308.510 3.437 20 0 DGADMP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000367082213 293023192 /nfs/dbraw/zinc/02/31/92/293023192.db2.gz YPSCZXNEUFCWFP-GBESFXJTSA-N 2 1 308.510 3.268 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367085291 293023844 /nfs/dbraw/zinc/02/38/44/293023844.db2.gz FFZTZERKZAGCCC-ZWKOTPCHSA-N 2 1 308.510 3.292 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367237585 293042366 /nfs/dbraw/zinc/04/23/66/293042366.db2.gz LRNUPWISCOOCSZ-UFYCRDLUSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367322503 293054352 /nfs/dbraw/zinc/05/43/52/293054352.db2.gz SHZURMHSSYXQBE-XWCCPHMRSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373977600 293338304 /nfs/dbraw/zinc/33/83/04/293338304.db2.gz OCLZTIHOVBZSII-QXCFHYIPSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000374279576 293376497 /nfs/dbraw/zinc/37/64/97/293376497.db2.gz KWQPJEXYFLKWDL-PIKOESSRSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000449064007 433720740 /nfs/dbraw/zinc/72/07/40/433720740.db2.gz SHOYGCCTSSBQPG-LJQANCHMSA-N 2 1 314.473 3.331 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNCc1ccnn1C1CCCC1 ZINC000449064580 433721425 /nfs/dbraw/zinc/72/14/25/433721425.db2.gz VCQPSDCVIMCLNQ-INIZCTEOSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449064580 433721437 /nfs/dbraw/zinc/72/14/37/433721437.db2.gz VCQPSDCVIMCLNQ-INIZCTEOSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449064580 433721446 /nfs/dbraw/zinc/72/14/46/433721446.db2.gz VCQPSDCVIMCLNQ-INIZCTEOSA-N 2 1 304.482 3.352 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414566254 433726975 /nfs/dbraw/zinc/72/69/75/433726975.db2.gz FMJLAUUKHIFBJY-CVEARBPZSA-N 2 1 305.466 3.219 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000449221618 433730991 /nfs/dbraw/zinc/73/09/91/433730991.db2.gz GUPUKVFJANMLCG-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP CCc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c2ccccc2[nH+]1 ZINC000301806958 433732481 /nfs/dbraw/zinc/73/24/81/433732481.db2.gz VZJQUORBISMYLO-MRXNPFEDSA-N 2 1 311.429 3.072 20 0 DGADMP CCc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c2ccccc2[nH+]1 ZINC000301806958 433732490 /nfs/dbraw/zinc/73/24/90/433732490.db2.gz VZJQUORBISMYLO-MRXNPFEDSA-N 2 1 311.429 3.072 20 0 DGADMP COCC1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000449235465 433732683 /nfs/dbraw/zinc/73/26/83/433732683.db2.gz URTPOQBGKDIDPX-ZLZJIPBDSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328519 433738384 /nfs/dbraw/zinc/73/83/84/433738384.db2.gz FTUHLGFTXZLNIL-WBVHZDCISA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328519 433738389 /nfs/dbraw/zinc/73/83/89/433738389.db2.gz FTUHLGFTXZLNIL-WBVHZDCISA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328519 433738395 /nfs/dbraw/zinc/73/83/95/433738395.db2.gz FTUHLGFTXZLNIL-WBVHZDCISA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328519 433738398 /nfs/dbraw/zinc/73/83/98/433738398.db2.gz FTUHLGFTXZLNIL-WBVHZDCISA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421819004 433742250 /nfs/dbraw/zinc/74/22/50/433742250.db2.gz DOLGXKRVFLCMOB-IEBWSBKVSA-N 2 1 315.505 3.431 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC000356881258 433743194 /nfs/dbraw/zinc/74/31/94/433743194.db2.gz UUZQBEMEIRUTQC-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)C1 ZINC000421819305 433744028 /nfs/dbraw/zinc/74/40/28/433744028.db2.gz GMJHORDXJPGGCJ-SCLBCKFNSA-N 2 1 306.425 3.217 20 0 DGADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)cc1 ZINC000414642500 433766317 /nfs/dbraw/zinc/76/63/17/433766317.db2.gz JUVJLRLSPAPZRO-INIZCTEOSA-N 2 1 312.417 3.275 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000421853892 433774013 /nfs/dbraw/zinc/77/40/13/433774013.db2.gz KLZUEWZSWFIMCE-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852886 433774643 /nfs/dbraw/zinc/77/46/43/433774643.db2.gz IBFDESVDHUQGAX-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852886 433774651 /nfs/dbraw/zinc/77/46/51/433774651.db2.gz IBFDESVDHUQGAX-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)nc1 ZINC000414771867 433824333 /nfs/dbraw/zinc/82/43/33/433824333.db2.gz SDKBRGFWDIFYKA-KDURUIRLSA-N 2 1 307.441 3.180 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414667780 433779840 /nfs/dbraw/zinc/77/98/40/433779840.db2.gz YUOZRJRCDWDRJW-YRGRVCCFSA-N 2 1 300.368 3.478 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000414681676 433786200 /nfs/dbraw/zinc/78/62/00/433786200.db2.gz PRLROFUKUHTCMB-STQMWFEESA-N 2 1 316.367 3.405 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000293567659 433787138 /nfs/dbraw/zinc/78/71/38/433787138.db2.gz MTJAQKOMVJIWLC-LJQANCHMSA-N 2 1 301.478 3.295 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000293567659 433787145 /nfs/dbraw/zinc/78/71/45/433787145.db2.gz MTJAQKOMVJIWLC-LJQANCHMSA-N 2 1 301.478 3.295 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293567659 433787156 /nfs/dbraw/zinc/78/71/56/433787156.db2.gz MTJAQKOMVJIWLC-LJQANCHMSA-N 2 1 301.478 3.295 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000293567659 433787163 /nfs/dbraw/zinc/78/71/63/433787163.db2.gz MTJAQKOMVJIWLC-LJQANCHMSA-N 2 1 301.478 3.295 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774052 433824658 /nfs/dbraw/zinc/82/46/58/433824658.db2.gz FDAHNNJQDSNEBR-ROUUACIJSA-N 2 1 302.462 3.295 20 0 DGADMP Cc1cc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877721 433790933 /nfs/dbraw/zinc/79/09/33/433790933.db2.gz CBZKEZLHILRHEM-AEFFLSMTSA-N 2 1 313.445 3.198 20 0 DGADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000430633782 433794082 /nfs/dbraw/zinc/79/40/82/433794082.db2.gz QGMDHZZFPGWOQU-UHFFFAOYSA-N 2 1 324.468 3.476 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414697486 433798077 /nfs/dbraw/zinc/79/80/77/433798077.db2.gz WORQKKLUSHAUPP-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1cc(Br)cs1)C[NH+](C)C ZINC000293606720 433799007 /nfs/dbraw/zinc/79/90/07/433799007.db2.gz IZVQJAFAUQVDAN-NXEZZACHSA-N 2 1 305.285 3.359 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1OC ZINC000449784604 433799613 /nfs/dbraw/zinc/79/96/13/433799613.db2.gz XLODDQSDFHJAOD-HNNXBMFYSA-N 2 1 320.477 3.099 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1OC ZINC000449784604 433799620 /nfs/dbraw/zinc/79/96/20/433799620.db2.gz XLODDQSDFHJAOD-HNNXBMFYSA-N 2 1 320.477 3.099 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cs1)C[NH+](C)C ZINC000293606721 433800835 /nfs/dbraw/zinc/80/08/35/433800835.db2.gz IZVQJAFAUQVDAN-UWVGGRQHSA-N 2 1 305.285 3.359 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414704325 433801160 /nfs/dbraw/zinc/80/11/60/433801160.db2.gz MZNKWERDIONHKY-NUJGCVRESA-N 2 1 304.503 3.473 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414708030 433801791 /nfs/dbraw/zinc/80/17/91/433801791.db2.gz ONPFEMSNZWEENR-FUHIMQAGSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC[NH2+]1 ZINC000414715427 433803230 /nfs/dbraw/zinc/80/32/30/433803230.db2.gz YRFBJNAUZNIMCL-KFWWJZLASA-N 2 1 308.853 3.181 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC[NH2+]1 ZINC000414732462 433813618 /nfs/dbraw/zinc/81/36/18/433813618.db2.gz BSAJSRGHNLENAI-RDJZCZTQSA-N 2 1 320.452 3.195 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000414752110 433814821 /nfs/dbraw/zinc/81/48/21/433814821.db2.gz JZIGGGDCOXSDAH-IIDMSEBBSA-N 2 1 318.436 3.251 20 0 DGADMP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414746456 433815472 /nfs/dbraw/zinc/81/54/72/433815472.db2.gz ZEXAQPQWNAVYCX-SJORKVTESA-N 2 1 317.477 3.034 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC[NH2+]1 ZINC000414744387 433815674 /nfs/dbraw/zinc/81/56/74/433815674.db2.gz IFRRGEFKVVHAGB-YZGWKJHDSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1ccc2nc(C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)cn2c1 ZINC000284024651 433820767 /nfs/dbraw/zinc/82/07/67/433820767.db2.gz QTBJWVGQFVGLDN-QGZVFWFLSA-N 2 1 314.477 3.387 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851754 433822830 /nfs/dbraw/zinc/82/28/30/433822830.db2.gz ZNNCHCKECUAGGF-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851754 433822834 /nfs/dbraw/zinc/82/28/34/433822834.db2.gz ZNNCHCKECUAGGF-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000339851754 433822840 /nfs/dbraw/zinc/82/28/40/433822840.db2.gz ZNNCHCKECUAGGF-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2Br)C1 ZINC000339851754 433822846 /nfs/dbraw/zinc/82/28/46/433822846.db2.gz ZNNCHCKECUAGGF-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414775705 433830200 /nfs/dbraw/zinc/83/02/00/433830200.db2.gz GMPZMMYMENYGSH-ROUUACIJSA-N 2 1 324.472 3.207 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414786210 433832891 /nfs/dbraw/zinc/83/28/91/433832891.db2.gz UHGBWFNVKDTDTR-KBAYOESNSA-N 2 1 302.462 3.120 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980479 433833671 /nfs/dbraw/zinc/83/36/71/433833671.db2.gz CMZYPMORWFSLLA-DZGCQCFKSA-N 2 1 316.420 3.085 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980479 433833680 /nfs/dbraw/zinc/83/36/80/433833680.db2.gz CMZYPMORWFSLLA-DZGCQCFKSA-N 2 1 316.420 3.085 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414784618 433836222 /nfs/dbraw/zinc/83/62/22/433836222.db2.gz RMWSZUXSUKZUJL-HOTGVXAUSA-N 2 1 306.425 3.046 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000284113244 433836753 /nfs/dbraw/zinc/83/67/53/433836753.db2.gz NKHNWTQHPLIIAY-IBGZPJMESA-N 2 1 300.446 3.107 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414784897 433836775 /nfs/dbraw/zinc/83/67/75/433836775.db2.gz RSEDSVZYIBBXIR-ZWKOTPCHSA-N 2 1 302.462 3.295 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH2+]CC2)c(OCCC)c1 ZINC000414791939 433837802 /nfs/dbraw/zinc/83/78/02/433837802.db2.gz RPTRCDAISBKQPO-UHFFFAOYSA-N 2 1 306.450 3.106 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000357038888 433838836 /nfs/dbraw/zinc/83/88/36/433838836.db2.gz AEPBFERKDZDDGX-MSOLQXFVSA-N 2 1 323.440 3.224 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000357038888 433838843 /nfs/dbraw/zinc/83/88/43/433838843.db2.gz AEPBFERKDZDDGX-MSOLQXFVSA-N 2 1 323.440 3.224 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789988 433838891 /nfs/dbraw/zinc/83/88/91/433838891.db2.gz ZDUVSQDETBOPFM-RBUKOAKNSA-N 2 1 314.473 3.297 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000414789955 433839689 /nfs/dbraw/zinc/83/96/89/433839689.db2.gz GCNBIHFIQBXHNG-LBPRGKRZSA-N 2 1 305.647 3.175 20 0 DGADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2s1 ZINC000414790409 433840451 /nfs/dbraw/zinc/84/04/51/433840451.db2.gz ZUGFKIPZAOZKKZ-CVEARBPZSA-N 2 1 315.486 3.426 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414799664 433844500 /nfs/dbraw/zinc/84/45/00/433844500.db2.gz KHGWDMUDMZEPPB-GOEBONIOSA-N 2 1 301.459 3.417 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OCCC(C)C ZINC000414798960 433845951 /nfs/dbraw/zinc/84/59/51/433845951.db2.gz QSUGMNYDUXEQQE-INIZCTEOSA-N 2 1 308.466 3.193 20 0 DGADMP Cc1nccn1CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000362754588 433846298 /nfs/dbraw/zinc/84/62/98/433846298.db2.gz YBWAKGGZVKWFHM-PKOBYXMFSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754588 433846310 /nfs/dbraw/zinc/84/63/10/433846310.db2.gz YBWAKGGZVKWFHM-PKOBYXMFSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754588 433846323 /nfs/dbraw/zinc/84/63/23/433846323.db2.gz YBWAKGGZVKWFHM-PKOBYXMFSA-N 2 1 318.509 3.168 20 0 DGADMP CCOc1cc(C[NH2+]CC([NH3+])(CC)CC)ccc1OC(F)F ZINC000414804779 433848414 /nfs/dbraw/zinc/84/84/14/433848414.db2.gz OEKWOXWDJGOWLO-UHFFFAOYSA-N 2 1 316.392 3.294 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164031 433849586 /nfs/dbraw/zinc/84/95/86/433849586.db2.gz FCXSWYATYGHIMN-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164031 433849597 /nfs/dbraw/zinc/84/95/97/433849597.db2.gz FCXSWYATYGHIMN-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP CCN1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013899 433855787 /nfs/dbraw/zinc/85/57/87/433855787.db2.gz KRQYQVNFIUKSMN-WBVHZDCISA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@@H+]1CC[C@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013899 433855793 /nfs/dbraw/zinc/85/57/93/433855793.db2.gz KRQYQVNFIUKSMN-WBVHZDCISA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013899 433855802 /nfs/dbraw/zinc/85/58/02/433855802.db2.gz KRQYQVNFIUKSMN-WBVHZDCISA-N 2 1 318.461 3.073 20 0 DGADMP CCN1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013896 433857727 /nfs/dbraw/zinc/85/77/27/433857727.db2.gz KRQYQVNFIUKSMN-DOTOQJQBSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013896 433857736 /nfs/dbraw/zinc/85/77/36/433857736.db2.gz KRQYQVNFIUKSMN-DOTOQJQBSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013896 433857750 /nfs/dbraw/zinc/85/77/50/433857750.db2.gz KRQYQVNFIUKSMN-DOTOQJQBSA-N 2 1 318.461 3.073 20 0 DGADMP CCO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357080610 433858450 /nfs/dbraw/zinc/85/84/50/433858450.db2.gz FIMQBVYKWRFUEH-UKRRQHHQSA-N 2 1 323.506 3.062 20 0 DGADMP c1csc(-c2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)no2)c1 ZINC000357086022 433859210 /nfs/dbraw/zinc/85/92/10/433859210.db2.gz RDERHJNTLGXOEP-AWEZNQCLSA-N 2 1 317.458 3.225 20 0 DGADMP CCN1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013897 433859343 /nfs/dbraw/zinc/85/93/43/433859343.db2.gz KRQYQVNFIUKSMN-NVXWUHKLSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013897 433859352 /nfs/dbraw/zinc/85/93/52/433859352.db2.gz KRQYQVNFIUKSMN-NVXWUHKLSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013897 433859362 /nfs/dbraw/zinc/85/93/62/433859362.db2.gz KRQYQVNFIUKSMN-NVXWUHKLSA-N 2 1 318.461 3.073 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000414818849 433860019 /nfs/dbraw/zinc/86/00/19/433860019.db2.gz WVLRJCFUHNMIFL-PBWFPOADSA-N 2 1 324.852 3.120 20 0 DGADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414826887 433862174 /nfs/dbraw/zinc/86/21/74/433862174.db2.gz JWMABSYCIJEVBR-SNVBAGLBSA-N 2 1 317.658 3.192 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000284234901 433863932 /nfs/dbraw/zinc/86/39/32/433863932.db2.gz HVWLWMNDPQNSTM-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414826886 433864570 /nfs/dbraw/zinc/86/45/70/433864570.db2.gz JWMABSYCIJEVBR-JTQLQIEISA-N 2 1 317.658 3.192 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000284234902 433865529 /nfs/dbraw/zinc/86/55/29/433865529.db2.gz HVWLWMNDPQNSTM-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830180 433869227 /nfs/dbraw/zinc/86/92/27/433869227.db2.gz ARJBIKVQRHZRKB-KRWDZBQOSA-N 2 1 306.498 3.252 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1Cl ZINC000284267983 433872536 /nfs/dbraw/zinc/87/25/36/433872536.db2.gz JFRKWERZWYYHIV-GFCCVEGCSA-N 2 1 322.840 3.380 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccccc2OC(F)(F)F)CCC[NH2+]C1 ZINC000414897068 433902579 /nfs/dbraw/zinc/90/25/79/433902579.db2.gz DDHPZKORHBWLDE-CQSZACIVSA-N 2 1 302.340 3.065 20 0 DGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)C1CC1 ZINC000414888800 433903514 /nfs/dbraw/zinc/90/35/14/433903514.db2.gz KPXXBHRJJJPZEQ-SFHVURJKSA-N 2 1 300.377 3.445 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414896471 433904033 /nfs/dbraw/zinc/90/40/33/433904033.db2.gz BYOIVAUMZHURSO-PKOBYXMFSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414896471 433904037 /nfs/dbraw/zinc/90/40/37/433904037.db2.gz BYOIVAUMZHURSO-PKOBYXMFSA-N 3 1 315.505 3.019 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422635172 433935445 /nfs/dbraw/zinc/93/54/45/433935445.db2.gz LBJJWKLYUBOOCP-CPUCHLNUSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422635172 433935456 /nfs/dbraw/zinc/93/54/56/433935456.db2.gz LBJJWKLYUBOOCP-CPUCHLNUSA-N 2 1 313.445 3.455 20 0 DGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000436228324 433910877 /nfs/dbraw/zinc/91/08/77/433910877.db2.gz AJFQMEHCEPJXQE-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414914991 433913244 /nfs/dbraw/zinc/91/32/44/433913244.db2.gz LPFDMVWZBMCBMV-GFCCVEGCSA-N 2 1 304.768 3.173 20 0 DGADMP C[C@]1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CCC[NH2+]C1 ZINC000414915213 433913579 /nfs/dbraw/zinc/91/35/79/433913579.db2.gz ZCKFJIQOKXONSC-HNNXBMFYSA-N 2 1 307.488 3.351 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000414916225 433914322 /nfs/dbraw/zinc/91/43/22/433914322.db2.gz PDNMGUSQNJDZDR-NEWSRXKRSA-N 3 1 307.526 3.009 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1O ZINC000414922284 433915260 /nfs/dbraw/zinc/91/52/60/433915260.db2.gz CMKRWJNQZYEHOR-RDTXWAMCSA-N 2 1 320.477 3.090 20 0 DGADMP Cc1cccc(OCCC[NH2+]Cc2c[nH+]ccc2N(C)C)c1C ZINC000362967639 433932317 /nfs/dbraw/zinc/93/23/17/433932317.db2.gz SFRJDDOKQMZVQB-UHFFFAOYSA-N 2 1 313.445 3.323 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000414848560 433880197 /nfs/dbraw/zinc/88/01/97/433880197.db2.gz WHRRJEUFDWTYCU-WMZOPIPTSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000414848560 433880205 /nfs/dbraw/zinc/88/02/05/433880205.db2.gz WHRRJEUFDWTYCU-WMZOPIPTSA-N 2 1 301.478 3.073 20 0 DGADMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OCC(C)C ZINC000414852329 433883950 /nfs/dbraw/zinc/88/39/50/433883950.db2.gz QZIHONWXLBHRTP-INIZCTEOSA-N 2 1 308.466 3.193 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855355 433887612 /nfs/dbraw/zinc/88/76/12/433887612.db2.gz WVPLIHJWQBBPDI-AUUYWEPGSA-N 2 1 314.477 3.381 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856154 433888582 /nfs/dbraw/zinc/88/85/82/433888582.db2.gz YIQGBUAXHGMJCM-RHSMWYFYSA-N 2 1 318.461 3.234 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000414860443 433892330 /nfs/dbraw/zinc/89/23/30/433892330.db2.gz VLDIJHPTFKFXQJ-MNOVXSKESA-N 2 1 315.230 3.066 20 0 DGADMP Cc1cccnc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285422011 433941966 /nfs/dbraw/zinc/94/19/66/433941966.db2.gz DSWZSUITLGTKLX-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cccnc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285422011 433941980 /nfs/dbraw/zinc/94/19/80/433941980.db2.gz DSWZSUITLGTKLX-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285422011 433941994 /nfs/dbraw/zinc/94/19/94/433941994.db2.gz DSWZSUITLGTKLX-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285422011 433942003 /nfs/dbraw/zinc/94/20/03/433942003.db2.gz DSWZSUITLGTKLX-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP CN(CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000422715085 433943319 /nfs/dbraw/zinc/94/33/19/433943319.db2.gz LWYDTCRYBURSPY-MSOLQXFVSA-N 2 1 313.420 3.386 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422710668 433943494 /nfs/dbraw/zinc/94/34/94/433943494.db2.gz FJDJDYZLPJSYIL-QZTJIDSGSA-N 2 1 317.477 3.421 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340172827 433953523 /nfs/dbraw/zinc/95/35/23/433953523.db2.gz NJSNNCCQZCHKAV-RTBURBONSA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340172827 433953531 /nfs/dbraw/zinc/95/35/31/433953531.db2.gz NJSNNCCQZCHKAV-RTBURBONSA-N 2 1 324.472 3.073 20 0 DGADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422735232 433959487 /nfs/dbraw/zinc/95/94/87/433959487.db2.gz DQHATRMHCNYAQI-PMACEKPBSA-N 3 1 315.505 3.191 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340183403 433961383 /nfs/dbraw/zinc/96/13/83/433961383.db2.gz FLYKVKATCXJXBF-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340183403 433961389 /nfs/dbraw/zinc/96/13/89/433961389.db2.gz FLYKVKATCXJXBF-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340183403 433961406 /nfs/dbraw/zinc/96/14/06/433961406.db2.gz FLYKVKATCXJXBF-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000422740648 433966040 /nfs/dbraw/zinc/96/60/40/433966040.db2.gz NYGFJJHNRPPDQQ-JENIJYKNSA-N 2 1 303.494 3.175 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000340188011 433967038 /nfs/dbraw/zinc/96/70/38/433967038.db2.gz ZNQPAXYHFZMENE-KURKYZTESA-N 2 1 316.445 3.141 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340198118 433978199 /nfs/dbraw/zinc/97/81/99/433978199.db2.gz COYSNWWPTURYIV-OAHLLOKOSA-N 2 1 302.462 3.325 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1OC ZINC000285537228 433986603 /nfs/dbraw/zinc/98/66/03/433986603.db2.gz BYEXLKVMAHRYNA-CQSZACIVSA-N 2 1 317.433 3.258 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C[C@@H]1c1ccccc1 ZINC000340201735 433987313 /nfs/dbraw/zinc/98/73/13/433987313.db2.gz WJBSKTTYICLJAM-UYAOXDASSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C[C@@H]1c1ccccc1 ZINC000340201735 433987326 /nfs/dbraw/zinc/98/73/26/433987326.db2.gz WJBSKTTYICLJAM-UYAOXDASSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2nccs2)C[C@H]1c1ccccc1 ZINC000340215673 433989523 /nfs/dbraw/zinc/98/95/23/433989523.db2.gz WTYBSTZLJJJTGK-HOTGVXAUSA-N 2 1 301.459 3.111 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nccs2)C[C@H]1c1ccccc1 ZINC000340215673 433989534 /nfs/dbraw/zinc/98/95/34/433989534.db2.gz WTYBSTZLJJJTGK-HOTGVXAUSA-N 2 1 301.459 3.111 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414960705 433938286 /nfs/dbraw/zinc/93/82/86/433938286.db2.gz YHXMFEIKIVTORK-RDJZCZTQSA-N 2 1 320.477 3.494 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000422708949 433941270 /nfs/dbraw/zinc/94/12/70/433941270.db2.gz CMHZRVRNGHAFAC-BDAKNGLRSA-N 2 1 305.647 3.318 20 0 DGADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414960421 433941430 /nfs/dbraw/zinc/94/14/30/433941430.db2.gz QQWAWWANUHQNPG-WDEREUQCSA-N 2 1 317.246 3.107 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340246859 434010557 /nfs/dbraw/zinc/01/05/57/434010557.db2.gz YBUZEJVDYIGNPN-RCCFBDPRSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340246859 434010568 /nfs/dbraw/zinc/01/05/68/434010568.db2.gz YBUZEJVDYIGNPN-RCCFBDPRSA-N 2 1 304.478 3.209 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422800561 434013931 /nfs/dbraw/zinc/01/39/31/434013931.db2.gz CFIRIUDCLPCBGF-GOEBONIOSA-N 2 1 306.450 3.104 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422800864 434015906 /nfs/dbraw/zinc/01/59/06/434015906.db2.gz DDBDAKNZHJJWQL-HUUCEWRRSA-N 2 1 316.367 3.377 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C[C@H]1c1ccccc1 ZINC000340254626 434017726 /nfs/dbraw/zinc/01/77/26/434017726.db2.gz CLACUFFKIBPFSX-MSOLQXFVSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C[C@H]1c1ccccc1 ZINC000340254626 434017732 /nfs/dbraw/zinc/01/77/32/434017732.db2.gz CLACUFFKIBPFSX-MSOLQXFVSA-N 2 1 304.478 3.210 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422805075 434018113 /nfs/dbraw/zinc/01/81/13/434018113.db2.gz LPTREBYCQOAHLN-KZNAEPCWSA-N 2 1 318.461 3.104 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000422808026 434020975 /nfs/dbraw/zinc/02/09/75/434020975.db2.gz PTYCMADCJGOLFM-HNNXBMFYSA-N 2 1 318.509 3.154 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000422808026 434020981 /nfs/dbraw/zinc/02/09/81/434020981.db2.gz PTYCMADCJGOLFM-HNNXBMFYSA-N 3 1 318.509 3.154 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000422808026 434020989 /nfs/dbraw/zinc/02/09/89/434020989.db2.gz PTYCMADCJGOLFM-HNNXBMFYSA-N 3 1 318.509 3.154 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422817392 434026519 /nfs/dbraw/zinc/02/65/19/434026519.db2.gz HMXUBKUZROGPOY-GBESFXJTSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000340283684 434039753 /nfs/dbraw/zinc/03/97/53/434039753.db2.gz OGWWRASVHXCGKC-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000340283684 434039764 /nfs/dbraw/zinc/03/97/64/434039764.db2.gz OGWWRASVHXCGKC-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000401817243 293868994 /nfs/dbraw/zinc/86/89/94/293868994.db2.gz XZVPJBJRXGMTRI-OAHLLOKOSA-N 2 1 320.234 3.002 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422835110 434042466 /nfs/dbraw/zinc/04/24/66/434042466.db2.gz IHSZVOZUQKTTCX-SOLBZPMBSA-N 3 1 321.534 3.067 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422835110 434042476 /nfs/dbraw/zinc/04/24/76/434042476.db2.gz IHSZVOZUQKTTCX-SOLBZPMBSA-N 3 1 321.534 3.067 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839041 434043867 /nfs/dbraw/zinc/04/38/67/434043867.db2.gz PONUWTKWCVIQOX-RYUDHWBXSA-N 2 1 323.651 3.495 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000422841072 434044721 /nfs/dbraw/zinc/04/47/21/434044721.db2.gz VCPNXGYIOSIOTN-OYGLOCFBSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000422841072 434044730 /nfs/dbraw/zinc/04/47/30/434044730.db2.gz VCPNXGYIOSIOTN-OYGLOCFBSA-N 3 1 315.505 3.147 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422781175 433994279 /nfs/dbraw/zinc/99/42/79/433994279.db2.gz DXRKBECFMQGKHA-MOPGFXCFSA-N 3 1 303.494 3.278 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(C2CC2)c1 ZINC000340236644 434000643 /nfs/dbraw/zinc/00/06/43/434000643.db2.gz LMTYYLCBUXVQFN-JXFKEZNVSA-N 2 1 316.489 3.307 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377796680 434000800 /nfs/dbraw/zinc/00/08/00/434000800.db2.gz SHZURMHSSYXQBE-YRGVVPAESA-N 2 1 302.462 3.225 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340230404 434001564 /nfs/dbraw/zinc/00/15/64/434001564.db2.gz HXVFMIWGRPKDCQ-QXAKKESOSA-N 2 1 303.494 3.142 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000422858498 434061912 /nfs/dbraw/zinc/06/19/12/434061912.db2.gz IVHUFUVIVOEMAC-GHMZBOCLSA-N 2 1 303.269 3.260 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422873667 434073096 /nfs/dbraw/zinc/07/30/96/434073096.db2.gz AZACRKFVQJKKHK-FGTMMUONSA-N 3 1 317.521 3.382 20 0 DGADMP [O-]c1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302597 434074969 /nfs/dbraw/zinc/07/49/69/434074969.db2.gz PZKWPTBAVYCLMY-BBRMVZONSA-N 2 1 320.864 3.494 20 0 DGADMP Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)co2)cc1 ZINC000422879839 434076107 /nfs/dbraw/zinc/07/61/07/434076107.db2.gz MVLWRNXGAPSJRT-AWEZNQCLSA-N 2 1 322.412 3.351 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422880766 434078835 /nfs/dbraw/zinc/07/88/35/434078835.db2.gz MRAROQNLEAIBGU-IXDOHACOSA-N 3 1 303.494 3.134 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2c[nH+]ccc2N)n1 ZINC000422883671 434081486 /nfs/dbraw/zinc/08/14/86/434081486.db2.gz CQMIAWKKTUMPIX-OAHLLOKOSA-N 2 1 321.428 3.148 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886545 434084247 /nfs/dbraw/zinc/08/42/47/434084247.db2.gz WWVOIRNTIOBKLL-HLIPFELVSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@H]([NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1)[C@H]1CC[NH2+]C1 ZINC000422890397 434086170 /nfs/dbraw/zinc/08/61/70/434086170.db2.gz RWJUVCNZGQJJTN-KBPBESRZSA-N 2 1 315.392 3.101 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000285848852 434086825 /nfs/dbraw/zinc/08/68/25/434086825.db2.gz XUUNUQAIXJNULQ-DZIBYMRMSA-N 2 1 316.489 3.454 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340361138 434087696 /nfs/dbraw/zinc/08/76/96/434087696.db2.gz NQGMJGPULWTMLX-ACRUOGEOSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340361138 434087709 /nfs/dbraw/zinc/08/77/09/434087709.db2.gz NQGMJGPULWTMLX-ACRUOGEOSA-N 2 1 324.468 3.015 20 0 DGADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422898974 434097843 /nfs/dbraw/zinc/09/78/43/434097843.db2.gz GJMSVPSPOOVGBQ-VQTJNVASSA-N 2 1 315.505 3.148 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353385018 434098693 /nfs/dbraw/zinc/09/86/93/434098693.db2.gz IQXASHWTINJEIQ-XYJFISCASA-N 2 1 311.429 3.304 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353385018 434098703 /nfs/dbraw/zinc/09/87/03/434098703.db2.gz IQXASHWTINJEIQ-XYJFISCASA-N 2 1 311.429 3.304 20 0 DGADMP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000378164791 434099414 /nfs/dbraw/zinc/09/94/14/434099414.db2.gz UPCKJKLODQMYRF-HNNXBMFYSA-N 2 1 306.413 3.427 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161554 434099454 /nfs/dbraw/zinc/09/94/54/434099454.db2.gz RDDSDNPPAPRTQL-AABGKKOBSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000378161554 434099461 /nfs/dbraw/zinc/09/94/61/434099461.db2.gz RDDSDNPPAPRTQL-AABGKKOBSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000378161554 434099464 /nfs/dbraw/zinc/09/94/64/434099464.db2.gz RDDSDNPPAPRTQL-AABGKKOBSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840446 434047599 /nfs/dbraw/zinc/04/75/99/434047599.db2.gz SYGXCIPQWXEEDU-LZLYRXPVSA-N 2 1 321.534 3.080 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000422840414 434047912 /nfs/dbraw/zinc/04/79/12/434047912.db2.gz SUUHENGGKOZDSK-XUVXKRRUSA-N 3 1 319.537 3.294 20 0 DGADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000285718555 434048013 /nfs/dbraw/zinc/04/80/13/434048013.db2.gz WUISXHAUBHTIGK-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840158 434048784 /nfs/dbraw/zinc/04/87/84/434048784.db2.gz SCXQZBPNHAVDCV-JQHSSLGASA-N 2 1 321.534 3.210 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000305151056 434050722 /nfs/dbraw/zinc/05/07/22/434050722.db2.gz ORHRWVUUGDHMRM-GMBSWORKSA-N 2 1 313.445 3.382 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340316394 434054191 /nfs/dbraw/zinc/05/41/91/434054191.db2.gz RWGUMZDZBYGTDZ-HCXYKTFWSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340316394 434054200 /nfs/dbraw/zinc/05/42/00/434054200.db2.gz RWGUMZDZBYGTDZ-HCXYKTFWSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317348 434057493 /nfs/dbraw/zinc/05/74/93/434057493.db2.gz PAWDRTJGVNYGIA-FCGDIQPGSA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317348 434057503 /nfs/dbraw/zinc/05/75/03/434057503.db2.gz PAWDRTJGVNYGIA-FCGDIQPGSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910225 434101047 /nfs/dbraw/zinc/10/10/47/434101047.db2.gz HQDSYWKQDKEDMI-RBUKOAKNSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422906742 434103785 /nfs/dbraw/zinc/10/37/85/434103785.db2.gz AKSAHZPLUWRSJE-HIFRSBDPSA-N 2 1 307.507 3.463 20 0 DGADMP C[N@@H+]1CC[C@H](NCc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397430 434105340 /nfs/dbraw/zinc/10/53/40/434105340.db2.gz ZWUVFHCTSUGXGP-ICSRJNTNSA-N 2 1 320.440 3.259 20 0 DGADMP C[N@H+]1CC[C@H](NCc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397430 434105348 /nfs/dbraw/zinc/10/53/48/434105348.db2.gz ZWUVFHCTSUGXGP-ICSRJNTNSA-N 2 1 320.440 3.259 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397960 434107085 /nfs/dbraw/zinc/10/70/85/434107085.db2.gz WFKHKRYTEBJFJT-QZTJIDSGSA-N 2 1 318.461 3.388 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422914602 434107022 /nfs/dbraw/zinc/10/70/22/434107022.db2.gz UXRUNVGMGGLVEK-QFBILLFUSA-N 2 1 303.494 3.147 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397960 434107090 /nfs/dbraw/zinc/10/70/90/434107090.db2.gz WFKHKRYTEBJFJT-QZTJIDSGSA-N 2 1 318.461 3.388 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422914569 434107607 /nfs/dbraw/zinc/10/76/07/434107607.db2.gz UTSAQTXUDYVXLM-OALUTQOASA-N 2 1 309.457 3.336 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340394193 434108125 /nfs/dbraw/zinc/10/81/25/434108125.db2.gz NJIJIOKKTMURNW-OWYHZJEWSA-N 2 1 302.462 3.084 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340394193 434108135 /nfs/dbraw/zinc/10/81/35/434108135.db2.gz NJIJIOKKTMURNW-OWYHZJEWSA-N 2 1 302.462 3.084 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(Cl)c1 ZINC000422926067 434114170 /nfs/dbraw/zinc/11/41/70/434114170.db2.gz WCSZYXCSVWQWOJ-NEPJUHHUSA-N 2 1 305.809 3.266 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000422929276 434117703 /nfs/dbraw/zinc/11/77/03/434117703.db2.gz PBPISSCOTWQKSS-CGTJXYLNSA-N 2 1 306.425 3.235 20 0 DGADMP Cc1sc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)nc1-c1ccccc1 ZINC000422929671 434118156 /nfs/dbraw/zinc/11/81/56/434118156.db2.gz RAEIAOJVLADAPX-CJNGLKHVSA-N 2 1 315.486 3.249 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000500130695 294105922 /nfs/dbraw/zinc/10/59/22/294105922.db2.gz AFNDYMJBGIEQPT-IAGOWNOFSA-N 2 1 316.489 3.433 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000502254988 294160634 /nfs/dbraw/zinc/16/06/34/294160634.db2.gz XPOILHYFUPHUNH-IEBWSBKVSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000502254988 294160635 /nfs/dbraw/zinc/16/06/35/294160635.db2.gz XPOILHYFUPHUNH-IEBWSBKVSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000502254988 294160636 /nfs/dbraw/zinc/16/06/36/294160636.db2.gz XPOILHYFUPHUNH-IEBWSBKVSA-N 2 1 302.462 3.174 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000502868577 294177828 /nfs/dbraw/zinc/17/78/28/294177828.db2.gz IXWKVYJYYIHCQJ-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000502868577 294177829 /nfs/dbraw/zinc/17/78/29/294177829.db2.gz IXWKVYJYYIHCQJ-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000502868577 294177832 /nfs/dbraw/zinc/17/78/32/294177832.db2.gz IXWKVYJYYIHCQJ-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1F ZINC000503863221 294202781 /nfs/dbraw/zinc/20/27/81/294202781.db2.gz ZGWMEPMWZGTJES-LUKYLMHMSA-N 2 1 318.436 3.297 20 0 DGADMP Cn1nccc1-c1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000507122133 294283734 /nfs/dbraw/zinc/28/37/34/294283734.db2.gz RNYJEAGFWDBITP-UHFFFAOYSA-N 2 1 324.472 3.147 20 0 DGADMP c1ccc(N2CCN(CCC[N@H+]3CC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000509181812 294342416 /nfs/dbraw/zinc/34/24/16/294342416.db2.gz SIKIMRGTPGMQRI-ICSRJNTNSA-N 2 1 313.489 3.073 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000353436513 434131232 /nfs/dbraw/zinc/13/12/32/434131232.db2.gz CFOLLBSCYKKWAS-UAGQMJEPSA-N 2 1 318.461 3.290 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000353436513 434131236 /nfs/dbraw/zinc/13/12/36/434131236.db2.gz CFOLLBSCYKKWAS-UAGQMJEPSA-N 2 1 318.461 3.290 20 0 DGADMP C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000313702757 434132663 /nfs/dbraw/zinc/13/26/63/434132663.db2.gz RLQJUPMFOXEXOZ-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422959375 434137394 /nfs/dbraw/zinc/13/73/94/434137394.db2.gz RUABJLIMHFMVFY-UONOGXRCSA-N 2 1 315.230 3.338 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422965534 434141476 /nfs/dbraw/zinc/14/14/76/434141476.db2.gz LIPVCIPBUCVOIG-MKXGPGLRSA-N 2 1 302.462 3.130 20 0 DGADMP CCCCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422967798 434143531 /nfs/dbraw/zinc/14/35/31/434143531.db2.gz COSMTQDDTTWTBH-OKZBNKHCSA-N 2 1 317.477 3.271 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000422977746 434147647 /nfs/dbraw/zinc/14/76/47/434147647.db2.gz XOHFMDWGQMQXDU-NVXWUHKLSA-N 2 1 305.466 3.269 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000340472238 434152591 /nfs/dbraw/zinc/15/25/91/434152591.db2.gz HJLYLHGMTAXMEM-QZTJIDSGSA-N 2 1 306.498 3.009 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423000571 434160183 /nfs/dbraw/zinc/16/01/83/434160183.db2.gz VOOTUANJTBTAGJ-ATZDWAIDSA-N 2 1 301.478 3.089 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423007550 434162116 /nfs/dbraw/zinc/16/21/16/434162116.db2.gz QYKHBINCMBSNFP-INIZCTEOSA-N 3 1 315.461 3.129 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423007550 434162123 /nfs/dbraw/zinc/16/21/23/434162123.db2.gz QYKHBINCMBSNFP-INIZCTEOSA-N 2 1 315.461 3.129 20 0 DGADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000340491080 434163068 /nfs/dbraw/zinc/16/30/68/434163068.db2.gz OFFHOQQXRRTWQO-RAFMOHDBSA-N 2 1 314.473 3.197 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353483725 434163257 /nfs/dbraw/zinc/16/32/57/434163257.db2.gz PFRAOWPQAKKNAS-HJOIGYKYSA-N 2 1 312.498 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353483725 434163265 /nfs/dbraw/zinc/16/32/65/434163265.db2.gz PFRAOWPQAKKNAS-HJOIGYKYSA-N 2 1 312.498 3.208 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[NH+](C2CCCC2)CC1 ZINC000450425964 434172696 /nfs/dbraw/zinc/17/26/96/434172696.db2.gz OSXBRDYEGKYLEE-IBGZPJMESA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000450425964 434172706 /nfs/dbraw/zinc/17/27/06/434172706.db2.gz OSXBRDYEGKYLEE-IBGZPJMESA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000450425964 434172716 /nfs/dbraw/zinc/17/27/16/434172716.db2.gz OSXBRDYEGKYLEE-IBGZPJMESA-N 2 1 307.526 3.200 20 0 DGADMP C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000423034640 434175198 /nfs/dbraw/zinc/17/51/98/434175198.db2.gz XUDKPIQKXNHAKW-IAQYHMDHSA-N 2 1 317.260 3.240 20 0 DGADMP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000353500204 434179794 /nfs/dbraw/zinc/17/97/94/434179794.db2.gz HVBQEPRWJPLDKZ-MAUKXSAKSA-N 2 1 317.477 3.375 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423104206 434220562 /nfs/dbraw/zinc/22/05/62/434220562.db2.gz GVKANIZQSAQEFS-TZMCWYRMSA-N 2 1 300.368 3.267 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000423055986 434194242 /nfs/dbraw/zinc/19/42/42/434194242.db2.gz XKZKJXVKOGLFTL-FUMNGEBKSA-N 2 1 314.473 3.275 20 0 DGADMP COCC[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286224801 434201257 /nfs/dbraw/zinc/20/12/57/434201257.db2.gz SOHPZVNEBARMEU-IVMQYODDSA-N 2 1 304.478 3.444 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(O)CCC(C)CC3)C2)CC1 ZINC000357819753 434201956 /nfs/dbraw/zinc/20/19/56/434201956.db2.gz CZFLROUKSMNWIF-SKINQDTJSA-N 2 1 322.537 3.372 20 0 DGADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423072296 434204639 /nfs/dbraw/zinc/20/46/39/434204639.db2.gz IZRKIQSQDVFYIZ-VAMGGRTRSA-N 2 1 314.473 3.201 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000295112050 434205076 /nfs/dbraw/zinc/20/50/76/434205076.db2.gz XKPGITFFGKNDJY-BBRMVZONSA-N 2 1 310.869 3.211 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2cccnc12 ZINC000346231690 434220974 /nfs/dbraw/zinc/22/09/74/434220974.db2.gz YCFPQOCDORLLQB-KRWDZBQOSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000423083862 434209470 /nfs/dbraw/zinc/20/94/70/434209470.db2.gz ZHIYXFXYNLRJHT-OKZBNKHCSA-N 3 1 307.526 3.009 20 0 DGADMP CCO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000423085293 434209916 /nfs/dbraw/zinc/20/99/16/434209916.db2.gz JTJJXICKJNOJRX-NSISKUIASA-N 2 1 312.457 3.312 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000437107061 434216051 /nfs/dbraw/zinc/21/60/51/434216051.db2.gz JTXXLTDXKDIQQL-ZWKOTPCHSA-N 2 1 301.478 3.248 20 0 DGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000353579356 434241558 /nfs/dbraw/zinc/24/15/58/434241558.db2.gz USOPNCFQKNTDHL-RDJZCZTQSA-N 2 1 322.493 3.343 20 0 DGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000353579356 434241568 /nfs/dbraw/zinc/24/15/68/434241568.db2.gz USOPNCFQKNTDHL-RDJZCZTQSA-N 2 1 322.493 3.343 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)c(C)c1OC ZINC000353578409 434243741 /nfs/dbraw/zinc/24/37/41/434243741.db2.gz RFKWRSSEXUMUKS-GJZGRUSLSA-N 2 1 322.493 3.262 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c(C)c1OC ZINC000353578409 434243747 /nfs/dbraw/zinc/24/37/47/434243747.db2.gz RFKWRSSEXUMUKS-GJZGRUSLSA-N 2 1 322.493 3.262 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353575980 434243958 /nfs/dbraw/zinc/24/39/58/434243958.db2.gz MBQIQEUOJMIXFH-FHERZECASA-N 2 1 322.497 3.368 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353575980 434243964 /nfs/dbraw/zinc/24/39/64/434243964.db2.gz MBQIQEUOJMIXFH-FHERZECASA-N 2 1 322.497 3.368 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000353583582 434246936 /nfs/dbraw/zinc/24/69/36/434246936.db2.gz YYOBOBIZCNZRHO-GJZGRUSLSA-N 2 1 302.466 3.202 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000353583582 434246944 /nfs/dbraw/zinc/24/69/44/434246944.db2.gz YYOBOBIZCNZRHO-GJZGRUSLSA-N 2 1 302.466 3.202 20 0 DGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423155056 434250791 /nfs/dbraw/zinc/25/07/91/434250791.db2.gz ISRGFHWHEQLDED-MELADBBJSA-N 2 1 313.367 3.111 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000423161252 434256698 /nfs/dbraw/zinc/25/66/98/434256698.db2.gz IMLSFMRPJICHNJ-PWSUYJOCSA-N 2 1 316.474 3.206 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379623317 434258641 /nfs/dbraw/zinc/25/86/41/434258641.db2.gz IDRRFQDZJWNLRL-ZIFCJYIRSA-N 3 1 303.494 3.147 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379623317 434258648 /nfs/dbraw/zinc/25/86/48/434258648.db2.gz IDRRFQDZJWNLRL-ZIFCJYIRSA-N 3 1 303.494 3.147 20 0 DGADMP C[C@H]([C@@H]1CCC[NH2+]1)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423163421 434258964 /nfs/dbraw/zinc/25/89/64/434258964.db2.gz RDTAEGLAKKZYND-ACJLOTCBSA-N 2 1 308.416 3.360 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379625343 434259256 /nfs/dbraw/zinc/25/92/56/434259256.db2.gz KUVYSIQGHMVOPO-UHOSZYNNSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379625343 434259264 /nfs/dbraw/zinc/25/92/64/434259264.db2.gz KUVYSIQGHMVOPO-UHOSZYNNSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@H](CCN[C@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625171 434260209 /nfs/dbraw/zinc/26/02/09/434260209.db2.gz FLJPYEQRJFOJSD-QRQLOZEOSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379625171 434260213 /nfs/dbraw/zinc/26/02/13/434260213.db2.gz FLJPYEQRJFOJSD-QRQLOZEOSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625171 434260223 /nfs/dbraw/zinc/26/02/23/434260223.db2.gz FLJPYEQRJFOJSD-QRQLOZEOSA-N 3 1 303.494 3.004 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000423167082 434261915 /nfs/dbraw/zinc/26/19/15/434261915.db2.gz WHLMTSLSLNXSRU-FEGHXTNJSA-N 2 1 324.468 3.489 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172546 434261941 /nfs/dbraw/zinc/26/19/41/434261941.db2.gz UCAFXQQQNKSSPP-NJDAHSKKSA-N 2 1 324.468 3.395 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1F ZINC000423178306 434266237 /nfs/dbraw/zinc/26/62/37/434266237.db2.gz BSJKLEPUYCQQAB-ZOBUZTSGSA-N 2 1 306.425 3.202 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000319466508 434223195 /nfs/dbraw/zinc/22/31/95/434223195.db2.gz PUPSVLXVJHPBAC-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423118355 434227426 /nfs/dbraw/zinc/22/74/26/434227426.db2.gz ADSBNJNSXZOUON-XPTSAGLGSA-N 2 1 322.321 3.461 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000319792386 434228124 /nfs/dbraw/zinc/22/81/24/434228124.db2.gz ZTWZJNLXFNLPKX-GUDVDZBRSA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCCCC2)CC1 ZINC000450501283 434229385 /nfs/dbraw/zinc/22/93/85/434229385.db2.gz NADYCEDSQBIRME-LJQANCHMSA-N 2 1 307.526 3.200 20 0 DGADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423117081 434230464 /nfs/dbraw/zinc/23/04/64/434230464.db2.gz SWBXCQUCTSZCKZ-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)([NH+](C)C)C1 ZINC000320458906 434237964 /nfs/dbraw/zinc/23/79/64/434237964.db2.gz DLROXLXYCMXVFH-BARDWOONSA-N 2 1 322.415 3.196 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000320343412 434237994 /nfs/dbraw/zinc/23/79/94/434237994.db2.gz OPSZSHYXUHAJTL-MRXNPFEDSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000382834997 434282925 /nfs/dbraw/zinc/28/29/25/434282925.db2.gz NCESDQPGUUEHHI-XHDPSFHLSA-N 2 1 301.261 3.466 20 0 DGADMP CCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000295267944 434282868 /nfs/dbraw/zinc/28/28/68/434282868.db2.gz YXRPACVIJNCMDT-LJQANCHMSA-N 2 1 316.489 3.136 20 0 DGADMP OCCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000450593549 434285134 /nfs/dbraw/zinc/28/51/34/434285134.db2.gz IZNJHWCDTBFROT-CQSZACIVSA-N 2 1 319.836 3.147 20 0 DGADMP OCCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000450593549 434285146 /nfs/dbraw/zinc/28/51/46/434285146.db2.gz IZNJHWCDTBFROT-CQSZACIVSA-N 2 1 319.836 3.147 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000353631048 434289715 /nfs/dbraw/zinc/28/97/15/434289715.db2.gz ZIAFKSLJMMHEGB-IBGZPJMESA-N 2 1 301.478 3.130 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218754 434290377 /nfs/dbraw/zinc/29/03/77/434290377.db2.gz VZKSXBDSHGULMH-UZLBHIALSA-N 2 1 310.441 3.374 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437590500 434295719 /nfs/dbraw/zinc/29/57/19/434295719.db2.gz HIICFNVPBKHPLV-UHFFFAOYSA-N 2 1 318.490 3.443 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437590500 434295737 /nfs/dbraw/zinc/29/57/37/434295737.db2.gz HIICFNVPBKHPLV-UHFFFAOYSA-N 2 1 318.490 3.443 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423233324 434298112 /nfs/dbraw/zinc/29/81/12/434298112.db2.gz DOIAKOGODHFZDU-UIFIKXQLSA-N 2 1 323.484 3.187 20 0 DGADMP CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400664 434302992 /nfs/dbraw/zinc/30/29/92/434302992.db2.gz ARHJLFSWGZLHGM-YJBOKZPZSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400664 434303002 /nfs/dbraw/zinc/30/30/02/434303002.db2.gz ARHJLFSWGZLHGM-YJBOKZPZSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400664 434303014 /nfs/dbraw/zinc/30/30/14/434303014.db2.gz ARHJLFSWGZLHGM-YJBOKZPZSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400664 434303024 /nfs/dbraw/zinc/30/30/24/434303024.db2.gz ARHJLFSWGZLHGM-YJBOKZPZSA-N 2 1 308.441 3.367 20 0 DGADMP C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000340690842 434305815 /nfs/dbraw/zinc/30/58/15/434305815.db2.gz MUBPUPGOFRTJTF-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000340690842 434305822 /nfs/dbraw/zinc/30/58/22/434305822.db2.gz MUBPUPGOFRTJTF-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000295323142 434308126 /nfs/dbraw/zinc/30/81/26/434308126.db2.gz LXECPAWPEMZCFI-QZTJIDSGSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000295323142 434308136 /nfs/dbraw/zinc/30/81/36/434308136.db2.gz LXECPAWPEMZCFI-QZTJIDSGSA-N 2 1 304.478 3.038 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259296 434320112 /nfs/dbraw/zinc/32/01/12/434320112.db2.gz DKTYRZVAWQTZDL-MOPGFXCFSA-N 2 1 322.468 3.271 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423262940 434323934 /nfs/dbraw/zinc/32/39/34/434323934.db2.gz ABOILDAKUJDTFD-TVQRCGJNSA-N 2 1 303.219 3.222 20 0 DGADMP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287335652 434334494 /nfs/dbraw/zinc/33/44/94/434334494.db2.gz GCWMAOQOUCUEMA-YJBOKZPZSA-N 2 1 304.503 3.035 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423276413 434332604 /nfs/dbraw/zinc/33/26/04/434332604.db2.gz OKDKKYGOOVEGMN-OLZOCXBDSA-N 2 1 320.868 3.340 20 0 DGADMP CC1(C)CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423196485 434277339 /nfs/dbraw/zinc/27/73/39/434277339.db2.gz ZTQIXGLEUSGYHB-GVDBMIGSSA-N 2 1 308.510 3.340 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390590520 434361081 /nfs/dbraw/zinc/36/10/81/434361081.db2.gz RXDNLDICPFMEDG-HSALFYBXSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390590520 434361092 /nfs/dbraw/zinc/36/10/92/434361092.db2.gz RXDNLDICPFMEDG-HSALFYBXSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)c(F)c1 ZINC000423324541 434360961 /nfs/dbraw/zinc/36/09/61/434360961.db2.gz KLOGZAVSTNNYJF-SECBINFHSA-N 2 1 301.203 3.120 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000390552476 434361375 /nfs/dbraw/zinc/36/13/75/434361375.db2.gz KNEVXZYWECDMBM-HXUWFJFHSA-N 2 1 316.489 3.447 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000390552476 434361387 /nfs/dbraw/zinc/36/13/87/434361387.db2.gz KNEVXZYWECDMBM-HXUWFJFHSA-N 2 1 316.489 3.447 20 0 DGADMP CC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568277 434363583 /nfs/dbraw/zinc/36/35/83/434363583.db2.gz OBJLOIPZEJCPJN-ROUUACIJSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568277 434363589 /nfs/dbraw/zinc/36/35/89/434363589.db2.gz OBJLOIPZEJCPJN-ROUUACIJSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423340905 434370482 /nfs/dbraw/zinc/37/04/82/434370482.db2.gz VZENLSYOBWILLG-SWLSCSKDSA-N 2 1 311.267 3.489 20 0 DGADMP C[C@@H](Nc1cc[nH+]cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390816297 434372673 /nfs/dbraw/zinc/37/26/73/434372673.db2.gz LIJPXPPSYHSCSJ-ZBFHGGJFSA-N 2 1 315.848 3.479 20 0 DGADMP C[C@@H](Nc1cc[nH+]cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390816297 434372687 /nfs/dbraw/zinc/37/26/87/434372687.db2.gz LIJPXPPSYHSCSJ-ZBFHGGJFSA-N 2 1 315.848 3.479 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423346298 434377384 /nfs/dbraw/zinc/37/73/84/434377384.db2.gz ZSFIDOQWXOSWQZ-SJLPKXTDSA-N 2 1 323.525 3.055 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000423354538 434379008 /nfs/dbraw/zinc/37/90/08/434379008.db2.gz GQNIWYLOBXGLGW-XEVCZEQESA-N 3 1 315.505 3.161 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423360718 434381428 /nfs/dbraw/zinc/38/14/28/434381428.db2.gz QPRHGLDESGCMAE-MAUKXSAKSA-N 2 1 317.477 3.091 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000423369188 434385818 /nfs/dbraw/zinc/38/58/18/434385818.db2.gz FQSKLJCYKYIFOZ-GRYCIOLGSA-N 2 1 302.340 3.376 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000353745736 434388163 /nfs/dbraw/zinc/38/81/63/434388163.db2.gz JCEMONZHMNKZNB-VQIMIIECSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000353745736 434388170 /nfs/dbraw/zinc/38/81/70/434388170.db2.gz JCEMONZHMNKZNB-VQIMIIECSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000353745736 434388179 /nfs/dbraw/zinc/38/81/79/434388179.db2.gz JCEMONZHMNKZNB-VQIMIIECSA-N 2 1 312.461 3.177 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000423372703 434390293 /nfs/dbraw/zinc/39/02/93/434390293.db2.gz IKUSLUQAQZPSCN-XEZPLFJOSA-N 2 1 316.424 3.111 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000388541486 434337745 /nfs/dbraw/zinc/33/77/45/434337745.db2.gz WZBDKDGETMOSAR-KOLCDFICSA-N 2 1 303.269 3.118 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423294093 434342334 /nfs/dbraw/zinc/34/23/34/434342334.db2.gz BHAXLJKKMZOLTM-GDBMZVCRSA-N 2 1 308.466 3.050 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423289111 434342540 /nfs/dbraw/zinc/34/25/40/434342540.db2.gz WFTYFHXXFFAFEV-ZDUSSCGKSA-N 2 1 318.465 3.139 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423294095 434344447 /nfs/dbraw/zinc/34/44/47/434344447.db2.gz BHAXLJKKMZOLTM-HOCLYGCPSA-N 2 1 308.466 3.050 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423297976 434349436 /nfs/dbraw/zinc/34/94/36/434349436.db2.gz MPUMTVBDOXABBL-AAEUAGOBSA-N 2 1 316.392 3.465 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423297979 434349548 /nfs/dbraw/zinc/34/95/48/434349548.db2.gz MPUMTVBDOXABBL-YPMHNXCESA-N 2 1 316.392 3.465 20 0 DGADMP Cc1nc(C)c(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000340773554 434350499 /nfs/dbraw/zinc/35/04/99/434350499.db2.gz IQHVQNYGHPEGIV-QAPCUYQASA-N 2 1 310.445 3.477 20 0 DGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304691 434353339 /nfs/dbraw/zinc/35/33/39/434353339.db2.gz OULBISSKADUNQK-JTQLQIEISA-N 2 1 305.422 3.128 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423310351 434356218 /nfs/dbraw/zinc/35/62/18/434356218.db2.gz ACRZLUBSDKJLMW-KGLIPLIRSA-N 2 1 302.340 3.363 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc2)c1 ZINC000423315455 434356244 /nfs/dbraw/zinc/35/62/44/434356244.db2.gz ISXYUZLXEMSQCI-PMACEKPBSA-N 2 1 310.441 3.306 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000423321244 434357473 /nfs/dbraw/zinc/35/74/73/434357473.db2.gz FDLCXQFJSAHCKA-OTWHNJEPSA-N 2 1 314.473 3.453 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584206 434359292 /nfs/dbraw/zinc/35/92/92/434359292.db2.gz QXDNPSYBBDUVHL-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584206 434359302 /nfs/dbraw/zinc/35/93/02/434359302.db2.gz QXDNPSYBBDUVHL-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337728 434359304 /nfs/dbraw/zinc/35/93/04/434359304.db2.gz XJODQWYAAYWQCZ-LUKYLMHMSA-N 2 1 322.518 3.331 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337728 434359315 /nfs/dbraw/zinc/35/93/15/434359315.db2.gz XJODQWYAAYWQCZ-LUKYLMHMSA-N 2 1 322.518 3.331 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557144 434360432 /nfs/dbraw/zinc/36/04/32/434360432.db2.gz LRYYRIVENQLCQK-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557144 434360437 /nfs/dbraw/zinc/36/04/37/434360437.db2.gz LRYYRIVENQLCQK-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000366537157 434443198 /nfs/dbraw/zinc/44/31/98/434443198.db2.gz VRDMLDANILDCOS-DYVFJYSZSA-N 2 1 319.474 3.325 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)C1 ZINC000295944743 434447015 /nfs/dbraw/zinc/44/70/15/434447015.db2.gz LBALRXGBNLJEPW-LPHOPBHVSA-N 2 1 324.472 3.350 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)C1 ZINC000295944743 434447025 /nfs/dbraw/zinc/44/70/25/434447025.db2.gz LBALRXGBNLJEPW-LPHOPBHVSA-N 2 1 324.472 3.350 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750697 434402667 /nfs/dbraw/zinc/40/26/67/434402667.db2.gz YKNRPENTBSACKI-RDJZCZTQSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750697 434402676 /nfs/dbraw/zinc/40/26/76/434402676.db2.gz YKNRPENTBSACKI-RDJZCZTQSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750697 434402687 /nfs/dbraw/zinc/40/26/87/434402687.db2.gz YKNRPENTBSACKI-RDJZCZTQSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750697 434402694 /nfs/dbraw/zinc/40/26/94/434402694.db2.gz YKNRPENTBSACKI-RDJZCZTQSA-N 2 1 320.477 3.317 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000423392845 434402926 /nfs/dbraw/zinc/40/29/26/434402926.db2.gz QTZAIBGQHGWPFR-IPMKNSEASA-N 2 1 315.505 3.190 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750698 434403470 /nfs/dbraw/zinc/40/34/70/434403470.db2.gz YKNRPENTBSACKI-WBVHZDCISA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750698 434403478 /nfs/dbraw/zinc/40/34/78/434403478.db2.gz YKNRPENTBSACKI-WBVHZDCISA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750698 434403487 /nfs/dbraw/zinc/40/34/87/434403487.db2.gz YKNRPENTBSACKI-WBVHZDCISA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750698 434403497 /nfs/dbraw/zinc/40/34/97/434403497.db2.gz YKNRPENTBSACKI-WBVHZDCISA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750696 434404691 /nfs/dbraw/zinc/40/46/91/434404691.db2.gz YKNRPENTBSACKI-NVXWUHKLSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750696 434404703 /nfs/dbraw/zinc/40/47/03/434404703.db2.gz YKNRPENTBSACKI-NVXWUHKLSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750696 434404714 /nfs/dbraw/zinc/40/47/14/434404714.db2.gz YKNRPENTBSACKI-NVXWUHKLSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@H]1C ZINC000353750696 434404725 /nfs/dbraw/zinc/40/47/25/434404725.db2.gz YKNRPENTBSACKI-NVXWUHKLSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438110736 434407125 /nfs/dbraw/zinc/40/71/25/434407125.db2.gz VJOZPNZZDCOUTO-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@@H]1CCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438110736 434407133 /nfs/dbraw/zinc/40/71/33/434407133.db2.gz VJOZPNZZDCOUTO-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438110736 434407141 /nfs/dbraw/zinc/40/71/41/434407141.db2.gz VJOZPNZZDCOUTO-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1cnccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295551179 434410934 /nfs/dbraw/zinc/41/09/34/434410934.db2.gz YIMVFNSVKZUPGX-PXNSSMCTSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395141103 434415939 /nfs/dbraw/zinc/41/59/39/434415939.db2.gz HKYXVCPMKUNVJP-YSIASYRMSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cs2)cs1 ZINC000423430261 434418434 /nfs/dbraw/zinc/41/84/34/434418434.db2.gz KUVJJVORICTSDV-NJQDOHAQSA-N 2 1 305.472 3.048 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000348632459 434421310 /nfs/dbraw/zinc/42/13/10/434421310.db2.gz HVLQWNVYQWHSGA-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000348632459 434421321 /nfs/dbraw/zinc/42/13/21/434421321.db2.gz HVLQWNVYQWHSGA-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000348632459 434421326 /nfs/dbraw/zinc/42/13/26/434421326.db2.gz HVLQWNVYQWHSGA-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP CCC(CC)[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC000396319063 434423132 /nfs/dbraw/zinc/42/31/32/434423132.db2.gz BCYLCFZAAQRHFM-SHARSMKWSA-N 2 1 324.431 3.178 20 0 DGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423439607 434424243 /nfs/dbraw/zinc/42/42/43/434424243.db2.gz SLZOBNGMMYWFRN-RDOJZNBBSA-N 2 1 308.425 3.231 20 0 DGADMP C[C@@H]([NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000423438166 434426019 /nfs/dbraw/zinc/42/60/19/434426019.db2.gz GXSGDXNWCNJYNT-OGHNNQOOSA-N 2 1 303.837 3.344 20 0 DGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OCc2ccccc2)cc1 ZINC000423443106 434429219 /nfs/dbraw/zinc/42/92/19/434429219.db2.gz VKZXNLCIFIOPNS-VVHHDAOASA-N 2 1 308.425 3.134 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000438184120 434432319 /nfs/dbraw/zinc/43/23/19/434432319.db2.gz AMMNGSGHUYVROC-BWPNAZKDSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)on2)cc1 ZINC000397394946 434434752 /nfs/dbraw/zinc/43/47/52/434434752.db2.gz FVHGFADTNVUMKZ-VYDXJSESSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)co2)cc1 ZINC000397406325 434435130 /nfs/dbraw/zinc/43/51/30/434435130.db2.gz LVZXIWFQGMHXPP-ZOBUZTSGSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)co2)cc1 ZINC000397406325 434435135 /nfs/dbraw/zinc/43/51/35/434435135.db2.gz LVZXIWFQGMHXPP-ZOBUZTSGSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000397507151 434439062 /nfs/dbraw/zinc/43/90/62/434439062.db2.gz VIZHEILGJNESBJ-UHFFFAOYSA-N 2 1 323.484 3.495 20 0 DGADMP CC[C@H]([NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423474580 434439349 /nfs/dbraw/zinc/43/93/49/434439349.db2.gz RIMCXXVUUXEKJC-VNTMZGSJSA-N 2 1 315.505 3.004 20 0 DGADMP OCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000287736455 434440639 /nfs/dbraw/zinc/44/06/39/434440639.db2.gz YQAHVWRXLFREHM-VAMGGRTRSA-N 2 1 316.489 3.039 20 0 DGADMP CC[C@H]([NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423474579 434441453 /nfs/dbraw/zinc/44/14/53/434441453.db2.gz RIMCXXVUUXEKJC-LWYYNNOASA-N 2 1 315.505 3.004 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423512894 434466643 /nfs/dbraw/zinc/46/66/43/434466643.db2.gz LEEZLXXQGMPMCC-DOMZBBRYSA-N 2 1 317.260 3.413 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423512898 434467903 /nfs/dbraw/zinc/46/79/03/434467903.db2.gz LEEZLXXQGMPMCC-WFASDCNBSA-N 2 1 317.260 3.413 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423517955 434471396 /nfs/dbraw/zinc/47/13/96/434471396.db2.gz UTQFGFMKXOSOCV-SOAISFHBSA-N 3 1 315.505 3.147 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)on1 ZINC000348758001 434480784 /nfs/dbraw/zinc/48/07/84/434480784.db2.gz ZUEWBWPDGQIUKC-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000360029604 434483460 /nfs/dbraw/zinc/48/34/60/434483460.db2.gz QABUZAUMQQUXFX-AWEZNQCLSA-N 2 1 310.507 3.246 20 0 DGADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423569237 434489956 /nfs/dbraw/zinc/48/99/56/434489956.db2.gz VWNMTUXHUWXQEB-GOSISDBHSA-N 2 1 300.446 3.121 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2)cc1 ZINC000401719318 434499161 /nfs/dbraw/zinc/49/91/61/434499161.db2.gz ZKNKNDYDRLJCGH-FQEVSTJZSA-N 2 1 321.424 3.350 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)s1 ZINC000401866387 434499367 /nfs/dbraw/zinc/49/93/67/434499367.db2.gz HTCROTHTNPIIRF-VIFPVBQESA-N 2 1 314.252 3.137 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366767721 434505840 /nfs/dbraw/zinc/50/58/40/434505840.db2.gz YDFFDJSJNCQGFH-OWSLCNJRSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366767721 434505845 /nfs/dbraw/zinc/50/58/45/434505845.db2.gz YDFFDJSJNCQGFH-OWSLCNJRSA-N 2 1 318.509 3.156 20 0 DGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423491835 434453615 /nfs/dbraw/zinc/45/36/15/434453615.db2.gz KPFMKXCONLSAQH-RTBURBONSA-N 2 1 320.477 3.141 20 0 DGADMP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423493451 434454723 /nfs/dbraw/zinc/45/47/23/434454723.db2.gz QBTUFNYNCXZOHA-IRXDYDNUSA-N 2 1 308.441 3.271 20 0 DGADMP Cc1cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493087 434515664 /nfs/dbraw/zinc/51/56/64/434515664.db2.gz XKRNYYHDZRSBEB-QGZVFWFLSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493087 434515681 /nfs/dbraw/zinc/51/56/81/434515681.db2.gz XKRNYYHDZRSBEB-QGZVFWFLSA-N 2 1 315.486 3.453 20 0 DGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1OC ZINC000348864853 434533810 /nfs/dbraw/zinc/53/38/10/434533810.db2.gz CBQZGXCZKCLQPB-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1OC ZINC000348864853 434533818 /nfs/dbraw/zinc/53/38/18/434533818.db2.gz CBQZGXCZKCLQPB-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1OC ZINC000348864853 434533826 /nfs/dbraw/zinc/53/38/26/434533826.db2.gz CBQZGXCZKCLQPB-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1OC ZINC000348864853 434533834 /nfs/dbraw/zinc/53/38/34/434533834.db2.gz CBQZGXCZKCLQPB-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP CC(C)(C[NH2+]Cc1cc(F)c(F)c(F)c1)C[NH+]1CCCC1 ZINC000360170522 434537669 /nfs/dbraw/zinc/53/76/69/434537669.db2.gz YQQHSGXRBAIKJT-UHFFFAOYSA-N 2 1 300.368 3.316 20 0 DGADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348881116 434540338 /nfs/dbraw/zinc/54/03/38/434540338.db2.gz WSPGTVURRHLJOO-SJPCQFCGSA-N 2 1 301.409 3.364 20 0 DGADMP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348881116 434540349 /nfs/dbraw/zinc/54/03/49/434540349.db2.gz WSPGTVURRHLJOO-SJPCQFCGSA-N 2 1 301.409 3.364 20 0 DGADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348881116 434540351 /nfs/dbraw/zinc/54/03/51/434540351.db2.gz WSPGTVURRHLJOO-SJPCQFCGSA-N 2 1 301.409 3.364 20 0 DGADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348881116 434540358 /nfs/dbraw/zinc/54/03/58/434540358.db2.gz WSPGTVURRHLJOO-SJPCQFCGSA-N 2 1 301.409 3.364 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CCCC1 ZINC000353947560 434541926 /nfs/dbraw/zinc/54/19/26/434541926.db2.gz ZTUVYVSLYXIDEV-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1cc(NC[C@H]2C[N@H+](C)CCO2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360267422 434563163 /nfs/dbraw/zinc/56/31/63/434563163.db2.gz WIKHNWKFOMXYDI-AWEZNQCLSA-N 2 1 319.836 3.248 20 0 DGADMP Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360267422 434563168 /nfs/dbraw/zinc/56/31/68/434563168.db2.gz WIKHNWKFOMXYDI-AWEZNQCLSA-N 2 1 319.836 3.248 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000527538760 295102815 /nfs/dbraw/zinc/10/28/15/295102815.db2.gz HEYKUMMHIQRQDS-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000527538760 295102817 /nfs/dbraw/zinc/10/28/17/295102817.db2.gz HEYKUMMHIQRQDS-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000527538760 295102820 /nfs/dbraw/zinc/10/28/20/295102820.db2.gz HEYKUMMHIQRQDS-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000527538760 295102822 /nfs/dbraw/zinc/10/28/22/295102822.db2.gz HEYKUMMHIQRQDS-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(C)c1 ZINC000459379446 434571748 /nfs/dbraw/zinc/57/17/48/434571748.db2.gz AGAXTSQCAOVLRA-GOSISDBHSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000527848953 295139723 /nfs/dbraw/zinc/13/97/23/295139723.db2.gz GYOHZADHVUANFM-GOSISDBHSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cc(C)ccc1C ZINC000527852724 295140638 /nfs/dbraw/zinc/14/06/38/295140638.db2.gz OPWBIFUCADXNCI-IBGZPJMESA-N 2 1 304.478 3.455 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000527997916 295162686 /nfs/dbraw/zinc/16/26/86/295162686.db2.gz XKHOQKLRCRNPLL-WTOJCKNJSA-N 2 1 317.452 3.476 20 0 DGADMP C[C@H]([NH2+]CCOCC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459397989 434577098 /nfs/dbraw/zinc/57/70/98/434577098.db2.gz DXENOMKCSBOLQL-WMZOPIPTSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)cn1 ZINC000528041641 295170480 /nfs/dbraw/zinc/17/04/80/295170480.db2.gz BVRVWAHXQWNTIL-GOSISDBHSA-N 2 1 317.477 3.394 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccc(F)cc2)OC)C[C@@H]1C ZINC000528393865 295207100 /nfs/dbraw/zinc/20/71/00/295207100.db2.gz HCTKIWBZPUDWPJ-SNRMKQJTSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccc(F)cc2)OC)C[C@@H]1C ZINC000528393865 295207101 /nfs/dbraw/zinc/20/71/01/295207101.db2.gz HCTKIWBZPUDWPJ-SNRMKQJTSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccc(F)cc2)OC)C[C@@H]1C ZINC000528393865 295207102 /nfs/dbraw/zinc/20/71/02/295207102.db2.gz HCTKIWBZPUDWPJ-SNRMKQJTSA-N 2 1 322.468 3.188 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407514 295209751 /nfs/dbraw/zinc/20/97/51/295209751.db2.gz QCQPJEALXQQLNJ-OCCSQVGLSA-N 2 1 313.367 3.017 20 0 DGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000354034532 434588103 /nfs/dbraw/zinc/58/81/03/434588103.db2.gz RRUGZPSMXICKGT-UHFFFAOYSA-N 2 1 314.857 3.256 20 0 DGADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1Cl ZINC000349035436 434583212 /nfs/dbraw/zinc/58/32/12/434583212.db2.gz JJCXASATBJCQMO-UHFFFAOYSA-N 2 1 323.912 3.106 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360568077 434640925 /nfs/dbraw/zinc/64/09/25/434640925.db2.gz JCGSXDGYCZZMQU-LJQANCHMSA-N 2 1 309.413 3.059 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360568077 434640932 /nfs/dbraw/zinc/64/09/32/434640932.db2.gz JCGSXDGYCZZMQU-LJQANCHMSA-N 2 1 309.413 3.059 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000360583433 434643075 /nfs/dbraw/zinc/64/30/75/434643075.db2.gz RYGPVIJQBMGFPV-YSHGAJCASA-N 2 1 302.462 3.084 20 0 DGADMP C[C@@H]([NH2+]CCCc1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000360619236 434647859 /nfs/dbraw/zinc/64/78/59/434647859.db2.gz LEOARMJMUUAJAY-SJLPKXTDSA-N 2 1 301.478 3.257 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459721098 434675260 /nfs/dbraw/zinc/67/52/60/434675260.db2.gz APMNFOINDAKHTA-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424284255 434677503 /nfs/dbraw/zinc/67/75/03/434677503.db2.gz DGAWSAPRDHHOOC-ZDUSSCGKSA-N 2 1 323.278 3.413 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226473 434678495 /nfs/dbraw/zinc/67/84/95/434678495.db2.gz WIGWXWLYDYRADW-DZGCQCFKSA-N 2 1 303.406 3.239 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459730022 434681372 /nfs/dbraw/zinc/68/13/72/434681372.db2.gz JRKNRVOIGGPFNN-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cc2)C1 ZINC000459733461 434683173 /nfs/dbraw/zinc/68/31/73/434683173.db2.gz NNKSACVQOSUOHM-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000459734419 434683663 /nfs/dbraw/zinc/68/36/63/434683663.db2.gz HCDWRABYSJKUCQ-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000440272688 434689964 /nfs/dbraw/zinc/68/99/64/434689964.db2.gz UURWKZNFPPTBJQ-GOSISDBHSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000360982201 434754149 /nfs/dbraw/zinc/75/41/49/434754149.db2.gz GYQFPZGDBIUWDX-ZDUSSCGKSA-N 2 1 314.424 3.102 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000349416714 434710714 /nfs/dbraw/zinc/71/07/14/434710714.db2.gz LFGPDKHWEQZEFL-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000349416714 434710721 /nfs/dbraw/zinc/71/07/21/434710721.db2.gz LFGPDKHWEQZEFL-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371470600 434712562 /nfs/dbraw/zinc/71/25/62/434712562.db2.gz MVSXVEJBZGBIRH-PGVDXHSTSA-N 2 1 314.473 3.273 20 0 DGADMP C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371470600 434712570 /nfs/dbraw/zinc/71/25/70/434712570.db2.gz MVSXVEJBZGBIRH-PGVDXHSTSA-N 2 1 314.473 3.273 20 0 DGADMP Cc1ncc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1-c1ccccc1 ZINC000424374201 434713731 /nfs/dbraw/zinc/71/37/31/434713731.db2.gz HSVFPYUIIOZDOG-INIZCTEOSA-N 2 1 324.472 3.145 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(Cl)c1OC ZINC000424374203 434714174 /nfs/dbraw/zinc/71/41/74/434714174.db2.gz HTNOPDNQHFTOGE-ZIAGYGMSSA-N 2 1 312.841 3.107 20 0 DGADMP Cc1ncc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1-c1ccccc1 ZINC000424374202 434714977 /nfs/dbraw/zinc/71/49/77/434714977.db2.gz HSVFPYUIIOZDOG-MRXNPFEDSA-N 2 1 324.472 3.145 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000360910834 434728024 /nfs/dbraw/zinc/72/80/24/434728024.db2.gz XLFHNSDLQWWPRP-DOTOQJQBSA-N 2 1 320.452 3.162 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCOCC3CCC3)CC2)n2c1CCCC2 ZINC000419296260 434767877 /nfs/dbraw/zinc/76/78/77/434767877.db2.gz RSSUHVKYDDMBJG-UHFFFAOYSA-N 2 1 317.477 3.216 20 0 DGADMP CO[C@@H](CC(C)C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000419300173 434768401 /nfs/dbraw/zinc/76/84/01/434768401.db2.gz BPCWEAJNQTWTID-KRWDZBQOSA-N 2 1 306.450 3.294 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411312439 434760109 /nfs/dbraw/zinc/76/01/09/434760109.db2.gz ZJRXJEJMWRZOHL-CEXWTWQISA-N 2 1 320.452 3.114 20 0 DGADMP C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411329216 434763403 /nfs/dbraw/zinc/76/34/03/434763403.db2.gz QUGOYQVIKMGWHV-SJORKVTESA-N 2 1 302.462 3.282 20 0 DGADMP C[N@@H+](CCc1cnccn1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411432159 434778254 /nfs/dbraw/zinc/77/82/54/434778254.db2.gz QYYNLQBATPHHNH-UHFFFAOYSA-N 2 1 324.472 3.137 20 0 DGADMP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453059059 434786549 /nfs/dbraw/zinc/78/65/49/434786549.db2.gz PUYOFBRJCDEABG-GUDVDZBRSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361056944 434781018 /nfs/dbraw/zinc/78/10/18/434781018.db2.gz JQCGQAWUQAOIEQ-LJQANCHMSA-N 2 1 318.509 3.250 20 0 DGADMP CC[C@@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411563404 434801576 /nfs/dbraw/zinc/80/15/76/434801576.db2.gz BKUVZSRYRIBYTF-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005121 297395763 /nfs/dbraw/zinc/39/57/63/297395763.db2.gz QUNXVRQQXDLUJU-MDNKFWRPSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cncs1 ZINC000411546528 434798098 /nfs/dbraw/zinc/79/80/98/434798098.db2.gz ASZDIZDAGNBLDA-MAUKXSAKSA-N 2 1 315.486 3.186 20 0 DGADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000453194261 434825033 /nfs/dbraw/zinc/82/50/33/434825033.db2.gz HHTFIFCESXDEAX-UXHICEINSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411793272 434831254 /nfs/dbraw/zinc/83/12/54/434831254.db2.gz ILLCEEBVURHDIS-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP C[NH+](C)CC(C)(C)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411815014 434831926 /nfs/dbraw/zinc/83/19/26/434831926.db2.gz IMXQSOYCCRIBHK-UHFFFAOYSA-N 2 1 303.494 3.102 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011755 434853760 /nfs/dbraw/zinc/85/37/60/434853760.db2.gz KWESLIPKISCXOC-MOPGFXCFSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011755 434853762 /nfs/dbraw/zinc/85/37/62/434853762.db2.gz KWESLIPKISCXOC-MOPGFXCFSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011755 434853764 /nfs/dbraw/zinc/85/37/64/434853764.db2.gz KWESLIPKISCXOC-MOPGFXCFSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011755 434853765 /nfs/dbraw/zinc/85/37/65/434853765.db2.gz KWESLIPKISCXOC-MOPGFXCFSA-N 2 1 314.473 3.324 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000521436290 434883118 /nfs/dbraw/zinc/88/31/18/434883118.db2.gz RLGZLBPUHHYXRK-ROUUACIJSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000521436290 434883121 /nfs/dbraw/zinc/88/31/21/434883121.db2.gz RLGZLBPUHHYXRK-ROUUACIJSA-N 2 1 302.462 3.153 20 0 DGADMP Cc1cc(C)c(/C=C\C[N@H+](CCO)C2CCN(C)CC2)cc1C ZINC000637813761 434884943 /nfs/dbraw/zinc/88/49/43/434884943.db2.gz CPMKXXAEOPVSAW-WAYWQWQTSA-N 2 1 316.489 3.014 20 0 DGADMP Cc1cc(C)c(/C=C\CN(CCO)C2CC[NH+](C)CC2)cc1C ZINC000637813761 434884947 /nfs/dbraw/zinc/88/49/47/434884947.db2.gz CPMKXXAEOPVSAW-WAYWQWQTSA-N 2 1 316.489 3.014 20 0 DGADMP C[C@@H]1CC[N@@H+](CCNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000553999070 434909392 /nfs/dbraw/zinc/90/93/92/434909392.db2.gz BNFGTDNARBCHNS-GOSISDBHSA-N 2 1 317.521 3.076 20 0 DGADMP C[C@@H]1CC[NH+](CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000553999070 434909396 /nfs/dbraw/zinc/90/93/96/434909396.db2.gz BNFGTDNARBCHNS-GOSISDBHSA-N 2 1 317.521 3.076 20 0 DGADMP C[C@@H]1CC[NH+](CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000553999070 434909398 /nfs/dbraw/zinc/90/93/98/434909398.db2.gz BNFGTDNARBCHNS-GOSISDBHSA-N 2 1 317.521 3.076 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000573609604 434911395 /nfs/dbraw/zinc/91/13/95/434911395.db2.gz DIPMLCQTHJBIFQ-GOSISDBHSA-N 2 1 302.462 3.092 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462410182 434912491 /nfs/dbraw/zinc/91/24/91/434912491.db2.gz NSOBCSDFAXAYNI-FQEVSTJZSA-N 2 1 310.441 3.294 20 0 DGADMP CCOc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1O ZINC000573067109 434871539 /nfs/dbraw/zinc/87/15/39/434871539.db2.gz XFEMBJDCMYJOJS-UHFFFAOYSA-N 2 1 320.477 3.343 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099932 434873575 /nfs/dbraw/zinc/87/35/75/434873575.db2.gz DJSCIWGBEUOIMC-NRSFXHEJSA-N 2 1 302.462 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099932 434873578 /nfs/dbraw/zinc/87/35/78/434873578.db2.gz DJSCIWGBEUOIMC-NRSFXHEJSA-N 2 1 302.462 3.162 20 0 DGADMP Cc1cnccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000573958481 434938234 /nfs/dbraw/zinc/93/82/34/434938234.db2.gz AINLXXMQXMKNQM-LJQANCHMSA-N 2 1 315.505 3.376 20 0 DGADMP CC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000638047985 434939836 /nfs/dbraw/zinc/93/98/36/434939836.db2.gz LPAXBXIZVSMJKK-HNNXBMFYSA-N 2 1 317.477 3.388 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000554817687 434947359 /nfs/dbraw/zinc/94/73/59/434947359.db2.gz RJSWBXKDMLEMPK-NEWSRXKRSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000554817687 434947363 /nfs/dbraw/zinc/94/73/63/434947363.db2.gz RJSWBXKDMLEMPK-NEWSRXKRSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000554817687 434947367 /nfs/dbraw/zinc/94/73/67/434947367.db2.gz RJSWBXKDMLEMPK-NEWSRXKRSA-N 2 1 318.505 3.427 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000554840052 434948258 /nfs/dbraw/zinc/94/82/58/434948258.db2.gz NZESPJWVVPNEDQ-IBGZPJMESA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000554840052 434948263 /nfs/dbraw/zinc/94/82/63/434948263.db2.gz NZESPJWVVPNEDQ-IBGZPJMESA-N 2 1 316.489 3.303 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000638076818 434948348 /nfs/dbraw/zinc/94/83/48/434948348.db2.gz NGZUEGRWMJCMFD-HNNXBMFYSA-N 2 1 300.368 3.175 20 0 DGADMP Cc1ccc(CCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cn1 ZINC000492272169 434948907 /nfs/dbraw/zinc/94/89/07/434948907.db2.gz ASFVPLHKDNMQKS-OAHLLOKOSA-N 2 1 321.465 3.168 20 0 DGADMP C[C@@H](C[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)CO)c1ccccc1 ZINC000554289040 434921045 /nfs/dbraw/zinc/92/10/45/434921045.db2.gz JLVQYZCZQFLTRO-OALUTQOASA-N 2 1 318.505 3.349 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000573884487 434933965 /nfs/dbraw/zinc/93/39/65/434933965.db2.gz ANVXLWBDWPPBCY-IEBWSBKVSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000573884487 434933970 /nfs/dbraw/zinc/93/39/70/434933970.db2.gz ANVXLWBDWPPBCY-IEBWSBKVSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000573884487 434933974 /nfs/dbraw/zinc/93/39/74/434933974.db2.gz ANVXLWBDWPPBCY-IEBWSBKVSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000573884487 434933976 /nfs/dbraw/zinc/93/39/76/434933976.db2.gz ANVXLWBDWPPBCY-IEBWSBKVSA-N 2 1 318.505 3.469 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638367894 435014628 /nfs/dbraw/zinc/01/46/28/435014628.db2.gz ZDAGIPOYBYLIMG-OAHLLOKOSA-N 2 1 301.434 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638367891 435014666 /nfs/dbraw/zinc/01/46/66/435014666.db2.gz ZDAGIPOYBYLIMG-HNNXBMFYSA-N 2 1 301.434 3.430 20 0 DGADMP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000638379028 435017421 /nfs/dbraw/zinc/01/74/21/435017421.db2.gz VSQIGJSMXPESFI-HXUWFJFHSA-N 2 1 316.489 3.364 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638387835 435021162 /nfs/dbraw/zinc/02/11/62/435021162.db2.gz YKJREWQDOFUUID-UHFFFAOYSA-N 2 1 313.232 3.260 20 0 DGADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443408 435030264 /nfs/dbraw/zinc/03/02/64/435030264.db2.gz MVZMBQIPESOMFY-SXLOBPIMSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443408 435030267 /nfs/dbraw/zinc/03/02/67/435030267.db2.gz MVZMBQIPESOMFY-SXLOBPIMSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443408 435030270 /nfs/dbraw/zinc/03/02/70/435030270.db2.gz MVZMBQIPESOMFY-SXLOBPIMSA-N 2 1 313.489 3.038 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC000574611986 434991658 /nfs/dbraw/zinc/99/16/58/434991658.db2.gz JBSQGTRZWSFTLF-NLWGTHIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000574611986 434991662 /nfs/dbraw/zinc/99/16/62/434991662.db2.gz JBSQGTRZWSFTLF-NLWGTHIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000574611986 434991666 /nfs/dbraw/zinc/99/16/66/434991666.db2.gz JBSQGTRZWSFTLF-NLWGTHIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638328768 435007565 /nfs/dbraw/zinc/00/75/65/435007565.db2.gz KQEHSPJYBZXIAD-UHOSZYNNSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638328768 435007569 /nfs/dbraw/zinc/00/75/69/435007569.db2.gz KQEHSPJYBZXIAD-UHOSZYNNSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000638358813 435012048 /nfs/dbraw/zinc/01/20/48/435012048.db2.gz KLUNBGXGTZRMDM-APWZRJJASA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638356064 435012800 /nfs/dbraw/zinc/01/28/00/435012800.db2.gz VKAGMEOZLBTKNN-KPFFTGBYSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638356064 435012802 /nfs/dbraw/zinc/01/28/02/435012802.db2.gz VKAGMEOZLBTKNN-KPFFTGBYSA-N 2 1 324.472 3.229 20 0 DGADMP OC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000638609274 435059923 /nfs/dbraw/zinc/05/99/23/435059923.db2.gz JIVLEOVLJQPTJT-HKUYNNGSSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000638609274 435059925 /nfs/dbraw/zinc/05/99/25/435059925.db2.gz JIVLEOVLJQPTJT-HKUYNNGSSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C(F)(F)F)cs1 ZINC000578202286 435067063 /nfs/dbraw/zinc/06/70/63/435067063.db2.gz AUYZXNVJTSHOGY-SECBINFHSA-N 2 1 318.368 3.179 20 0 DGADMP COC(C)(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638702846 435073914 /nfs/dbraw/zinc/07/39/14/435073914.db2.gz SXLOSPQNCHFBGT-WMZOPIPTSA-N 2 1 302.462 3.369 20 0 DGADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638702846 435073919 /nfs/dbraw/zinc/07/39/19/435073919.db2.gz SXLOSPQNCHFBGT-WMZOPIPTSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638721844 435076558 /nfs/dbraw/zinc/07/65/58/435076558.db2.gz OALMIXFIYHLKBK-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638721844 435076559 /nfs/dbraw/zinc/07/65/59/435076559.db2.gz OALMIXFIYHLKBK-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638449030 435034407 /nfs/dbraw/zinc/03/44/07/435034407.db2.gz ZQALKEOTCIDKOB-CRAIPNDOSA-N 2 1 322.518 3.365 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638449030 435034411 /nfs/dbraw/zinc/03/44/11/435034411.db2.gz ZQALKEOTCIDKOB-CRAIPNDOSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000556886587 435037265 /nfs/dbraw/zinc/03/72/65/435037265.db2.gz NIEQVYSNWDPJST-YUKKFIBKSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000638521860 435045245 /nfs/dbraw/zinc/04/52/45/435045245.db2.gz RLPZDXWWEGSEJT-KBAYOESNSA-N 2 1 304.503 3.035 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000638521862 435045526 /nfs/dbraw/zinc/04/55/26/435045526.db2.gz RLPZDXWWEGSEJT-NXHRZFHOSA-N 2 1 304.503 3.035 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC1(F)F ZINC000638521233 435045725 /nfs/dbraw/zinc/04/57/25/435045725.db2.gz CEPPBQYAFIQYFB-BHYGNILZSA-N 2 1 308.416 3.184 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639089696 435150734 /nfs/dbraw/zinc/15/07/34/435150734.db2.gz BPUAUVIOCMPOPT-MGTHKWJCSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639089696 435150737 /nfs/dbraw/zinc/15/07/37/435150737.db2.gz BPUAUVIOCMPOPT-MGTHKWJCSA-N 2 1 302.462 3.368 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639040 435097694 /nfs/dbraw/zinc/09/76/94/435097694.db2.gz RGJVPLHPEBGGMK-NKELODKYSA-N 2 1 316.489 3.018 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639040 435097699 /nfs/dbraw/zinc/09/76/99/435097699.db2.gz RGJVPLHPEBGGMK-NKELODKYSA-N 2 1 316.489 3.018 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639040 435097704 /nfs/dbraw/zinc/09/77/04/435097704.db2.gz RGJVPLHPEBGGMK-NKELODKYSA-N 2 1 316.489 3.018 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639040 435097708 /nfs/dbraw/zinc/09/77/08/435097708.db2.gz RGJVPLHPEBGGMK-NKELODKYSA-N 2 1 316.489 3.018 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639089694 435149476 /nfs/dbraw/zinc/14/94/76/435149476.db2.gz BPUAUVIOCMPOPT-JHDROBOHSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639089694 435149480 /nfs/dbraw/zinc/14/94/80/435149480.db2.gz BPUAUVIOCMPOPT-JHDROBOHSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@@](C)(C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000638853313 435104716 /nfs/dbraw/zinc/10/47/16/435104716.db2.gz DXJRIKWINWDWAV-IBGZPJMESA-N 2 1 304.478 3.432 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc(C)c1F ZINC000532226232 435149648 /nfs/dbraw/zinc/14/96/48/435149648.db2.gz NIFMXVHLJZMYDA-SJLPKXTDSA-N 2 1 322.468 3.186 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000531696431 435110772 /nfs/dbraw/zinc/11/07/72/435110772.db2.gz OMGFEOZQZMWJAT-UZLBHIALSA-N 2 1 316.489 3.432 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000531696431 435110776 /nfs/dbraw/zinc/11/07/76/435110776.db2.gz OMGFEOZQZMWJAT-UZLBHIALSA-N 2 1 316.489 3.432 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531737228 435114762 /nfs/dbraw/zinc/11/47/62/435114762.db2.gz WWWKTBWGFSSYMU-XOKHGSTOSA-N 2 1 309.885 3.015 20 0 DGADMP C[NH+](C)Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000467454863 435121260 /nfs/dbraw/zinc/12/12/60/435121260.db2.gz KEGBFLSOXUCXFN-JKSUJKDBSA-N 2 1 307.869 3.440 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969449 435123710 /nfs/dbraw/zinc/12/37/10/435123710.db2.gz HAYRLBKXSSYEHL-DZGCQCFKSA-N 2 1 305.441 3.151 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969449 435123712 /nfs/dbraw/zinc/12/37/12/435123712.db2.gz HAYRLBKXSSYEHL-DZGCQCFKSA-N 2 1 305.441 3.151 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000531945372 435128247 /nfs/dbraw/zinc/12/82/47/435128247.db2.gz LXINIOLFPZBVQB-FQEVSTJZSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000531945372 435128252 /nfs/dbraw/zinc/12/82/52/435128252.db2.gz LXINIOLFPZBVQB-FQEVSTJZSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC000531939988 435128682 /nfs/dbraw/zinc/12/86/82/435128682.db2.gz JJUQBBAXJBZDEE-WOJBJXKFSA-N 2 1 317.521 3.389 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000532227617 435150379 /nfs/dbraw/zinc/15/03/79/435150379.db2.gz OEFXZUVPSHYIDF-UXHICEINSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559774527 435139438 /nfs/dbraw/zinc/13/94/38/435139438.db2.gz RJQPCWOCIZBJJK-ACRUOGEOSA-N 2 1 324.468 3.188 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559774527 435139441 /nfs/dbraw/zinc/13/94/41/435139441.db2.gz RJQPCWOCIZBJJK-ACRUOGEOSA-N 2 1 324.468 3.188 20 0 DGADMP COc1ccc(C)cc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000559870341 435141769 /nfs/dbraw/zinc/14/17/69/435141769.db2.gz KGBOKYBAQFMQNA-IRXDYDNUSA-N 2 1 304.478 3.461 20 0 DGADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000559919624 435143063 /nfs/dbraw/zinc/14/30/63/435143063.db2.gz OHHCSFRNBCVUFQ-ZRSRNVLSSA-N 2 1 302.437 3.377 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475289452 435188017 /nfs/dbraw/zinc/18/80/17/435188017.db2.gz ZAFATDGIIZUCPB-OALUTQOASA-N 2 1 304.478 3.159 20 0 DGADMP CCc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000532778482 435191146 /nfs/dbraw/zinc/19/11/46/435191146.db2.gz LQALTZQOOIAROY-UHFFFAOYSA-N 2 1 305.466 3.325 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493944682 435192997 /nfs/dbraw/zinc/19/29/97/435192997.db2.gz KBHJNCQHLOBMHD-FUHWJXTLSA-N 2 1 302.462 3.090 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639221804 435202390 /nfs/dbraw/zinc/20/23/90/435202390.db2.gz FNLVYUKOMDYGFH-HYJFEMIMSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639221804 435202394 /nfs/dbraw/zinc/20/23/94/435202394.db2.gz FNLVYUKOMDYGFH-HYJFEMIMSA-N 2 1 314.473 3.105 20 0 DGADMP CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532232968 435151722 /nfs/dbraw/zinc/15/17/22/435151722.db2.gz ANLNOKLKBBKDNL-RDJZCZTQSA-N 2 1 302.466 3.231 20 0 DGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000474730347 435158373 /nfs/dbraw/zinc/15/83/73/435158373.db2.gz PFDLNAMNZLWTOV-FHWLQOOXSA-N 2 1 310.526 3.418 20 0 DGADMP CO[C@](C)(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000639114479 435160150 /nfs/dbraw/zinc/16/01/50/435160150.db2.gz IPGFBTYGJTZJSS-LJQANCHMSA-N 2 1 317.477 3.214 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000532455495 435168401 /nfs/dbraw/zinc/16/84/01/435168401.db2.gz WIJFKKGDZKVIFY-TXPKVOOTSA-N 2 1 304.478 3.335 20 0 DGADMP C[C@@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560533490 435176293 /nfs/dbraw/zinc/17/62/93/435176293.db2.gz KTKGGKGRIMXINL-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000639169916 435180483 /nfs/dbraw/zinc/18/04/83/435180483.db2.gz MWKFTOQUPDWWGF-RHSMWYFYSA-N 2 1 318.461 3.011 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2nccnc2c1 ZINC000639173647 435183292 /nfs/dbraw/zinc/18/32/92/435183292.db2.gz FZVOUZWPAOLEPU-UHFFFAOYSA-N 2 1 300.450 3.184 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2nccnc2c1 ZINC000639173647 435183295 /nfs/dbraw/zinc/18/32/95/435183295.db2.gz FZVOUZWPAOLEPU-UHFFFAOYSA-N 2 1 300.450 3.184 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000580350811 435226143 /nfs/dbraw/zinc/22/61/43/435226143.db2.gz DZSFOOLAMGUYON-OTWHNJEPSA-N 2 1 318.505 3.455 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000580350811 435226147 /nfs/dbraw/zinc/22/61/47/435226147.db2.gz DZSFOOLAMGUYON-OTWHNJEPSA-N 2 1 318.505 3.455 20 0 DGADMP C[N@H+]1C[C@@H](CNCc2nc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC000639285056 435226874 /nfs/dbraw/zinc/22/68/74/435226874.db2.gz AVHWDRXSUDUTGJ-SJORKVTESA-N 2 1 321.424 3.263 20 0 DGADMP CCC(CC)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533106349 435211744 /nfs/dbraw/zinc/21/17/44/435211744.db2.gz KWHFFWLPPRNOKC-INIZCTEOSA-N 2 1 309.523 3.062 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H](C)C2 ZINC000580427174 435233224 /nfs/dbraw/zinc/23/32/24/435233224.db2.gz HAJMZVZRZCILKT-ABSDTBQOSA-N 2 1 316.489 3.319 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639308975 435238233 /nfs/dbraw/zinc/23/82/33/435238233.db2.gz ISVXYECHLNAYQI-HBFSDRIKSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639308975 435238236 /nfs/dbraw/zinc/23/82/36/435238236.db2.gz ISVXYECHLNAYQI-HBFSDRIKSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330063 435246428 /nfs/dbraw/zinc/24/64/28/435246428.db2.gz QLZUQLYXASDOFL-JTNHKYCSSA-N 2 1 317.260 3.099 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330294 435246672 /nfs/dbraw/zinc/24/66/72/435246672.db2.gz KTJWLHRRKRATPI-KANFNMMFSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330294 435246677 /nfs/dbraw/zinc/24/66/77/435246677.db2.gz KTJWLHRRKRATPI-KANFNMMFSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330294 435246683 /nfs/dbraw/zinc/24/66/83/435246683.db2.gz KTJWLHRRKRATPI-KANFNMMFSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330294 435246689 /nfs/dbraw/zinc/24/66/89/435246689.db2.gz KTJWLHRRKRATPI-KANFNMMFSA-N 2 1 300.446 3.122 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924399 435255943 /nfs/dbraw/zinc/25/59/43/435255943.db2.gz TYMSAEXAGYKWDB-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924399 435255948 /nfs/dbraw/zinc/25/59/48/435255948.db2.gz TYMSAEXAGYKWDB-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924399 435255952 /nfs/dbraw/zinc/25/59/52/435255952.db2.gz TYMSAEXAGYKWDB-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924399 435255957 /nfs/dbraw/zinc/25/59/57/435255957.db2.gz TYMSAEXAGYKWDB-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924399 435255963 /nfs/dbraw/zinc/25/59/63/435255963.db2.gz TYMSAEXAGYKWDB-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354632 435260642 /nfs/dbraw/zinc/26/06/42/435260642.db2.gz MVZMBQIPESOMFY-IHPCNDPISA-N 2 1 313.489 3.038 20 0 DGADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354632 435260630 /nfs/dbraw/zinc/26/06/30/435260630.db2.gz MVZMBQIPESOMFY-IHPCNDPISA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCC[NH3+] ZINC000643056212 435264310 /nfs/dbraw/zinc/26/43/10/435264310.db2.gz AOMMSSQORDBSMV-OAHLLOKOSA-N 2 1 311.429 3.281 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000643076724 435265154 /nfs/dbraw/zinc/26/51/54/435265154.db2.gz HWRJUCDAVOPAFM-CYBMUJFWSA-N 2 1 318.795 3.419 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CS1 ZINC000639360280 435266479 /nfs/dbraw/zinc/26/64/79/435266479.db2.gz UQYMCUWIZHAXRX-MVJTYMMSSA-N 2 1 304.503 3.238 20 0 DGADMP Clc1ccccc1SCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000584053959 435269753 /nfs/dbraw/zinc/26/97/53/435269753.db2.gz XEARFRVPSDQFFW-UONOGXRCSA-N 2 1 310.894 3.364 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000534347013 435283175 /nfs/dbraw/zinc/28/31/75/435283175.db2.gz SPPMWGBPLFYIPC-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP Cc1ccc(CCC[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)cn1 ZINC000639398324 435286266 /nfs/dbraw/zinc/28/62/66/435286266.db2.gz OVWPFWXWFYKTNC-OAHLLOKOSA-N 2 1 309.413 3.165 20 0 DGADMP Cc1ccc(CCC[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)cn1 ZINC000639398324 435286268 /nfs/dbraw/zinc/28/62/68/435286268.db2.gz OVWPFWXWFYKTNC-OAHLLOKOSA-N 2 1 309.413 3.165 20 0 DGADMP Clc1cnc2oc(C[NH2+]CCC[NH+]3CCCCC3)cc2c1 ZINC000648406564 435288521 /nfs/dbraw/zinc/28/85/21/435288521.db2.gz SDHFOZARTCUPQW-UHFFFAOYSA-N 2 1 307.825 3.447 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])c2cc(N)ccc2O1 ZINC000584345381 435290097 /nfs/dbraw/zinc/29/00/97/435290097.db2.gz SQMKFZWBTCZEBJ-PMPSAXMXSA-N 2 1 303.450 3.121 20 0 DGADMP Clc1cnc2oc(CNC[C@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000648417847 435292226 /nfs/dbraw/zinc/29/22/26/435292226.db2.gz FCXGAQUDEMZGMG-LLVKDONJSA-N 2 1 305.809 3.055 20 0 DGADMP Clc1cnc2oc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000648417847 435292237 /nfs/dbraw/zinc/29/22/37/435292237.db2.gz FCXGAQUDEMZGMG-LLVKDONJSA-N 2 1 305.809 3.055 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)C(C)(C)C)CC2)CC1 ZINC000643295876 435295810 /nfs/dbraw/zinc/29/58/10/435295810.db2.gz BRISWBQPXUXDNW-QGZVFWFLSA-N 2 1 309.542 3.161 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000648427448 435296254 /nfs/dbraw/zinc/29/62/54/435296254.db2.gz IASFZICWRKFOOI-KBPBESRZSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000648427448 435296257 /nfs/dbraw/zinc/29/62/57/435296257.db2.gz IASFZICWRKFOOI-KBPBESRZSA-N 2 1 305.809 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC000639358949 435262498 /nfs/dbraw/zinc/26/24/98/435262498.db2.gz GGANWJHHLJMUKY-YLJYHZDGSA-N 2 1 316.489 3.161 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000567402097 435315617 /nfs/dbraw/zinc/31/56/17/435315617.db2.gz HXKKKJLULMVUTQ-GOSISDBHSA-N 2 1 315.461 3.218 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000511425944 435320776 /nfs/dbraw/zinc/32/07/76/435320776.db2.gz AYUYVBXJTLOMNR-MAUKXSAKSA-N 2 1 302.462 3.177 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000511425944 435320778 /nfs/dbraw/zinc/32/07/78/435320778.db2.gz AYUYVBXJTLOMNR-MAUKXSAKSA-N 2 1 302.462 3.177 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000643456549 435326700 /nfs/dbraw/zinc/32/67/00/435326700.db2.gz DHWSGHVOJUZSEG-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000643456546 435328206 /nfs/dbraw/zinc/32/82/06/435328206.db2.gz DASFRKJUUYZPMP-NSHDSACASA-N 2 1 309.335 3.406 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000643471835 435332194 /nfs/dbraw/zinc/33/21/94/435332194.db2.gz GZEHPNNIWGBWNC-DLBZAZTESA-N 2 1 303.450 3.153 20 0 DGADMP c1nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(-c2ccccc2)o1 ZINC000567641487 435337517 /nfs/dbraw/zinc/33/75/17/435337517.db2.gz BKPXGEMRECKZQK-YESZJQIVSA-N 2 1 311.429 3.352 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000567662325 435339103 /nfs/dbraw/zinc/33/91/03/435339103.db2.gz HWIVDTSSANFFKY-IRXDYDNUSA-N 2 1 315.486 3.358 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc[nH]c(=O)c2)CC1)CC(C)C ZINC000639558489 435343643 /nfs/dbraw/zinc/34/36/43/435343643.db2.gz DPKZYMRMTKIWMW-UHFFFAOYSA-N 2 1 319.493 3.367 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000639559154 435344328 /nfs/dbraw/zinc/34/43/28/435344328.db2.gz PDPDRTZAHSBDBV-FUHWJXTLSA-N 2 1 317.477 3.045 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000643529371 435345264 /nfs/dbraw/zinc/34/52/64/435345264.db2.gz YZURKZZFJRHDJX-JMCQJSRRSA-N 2 1 303.631 3.027 20 0 DGADMP c1ccc(SC[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479670890 435346866 /nfs/dbraw/zinc/34/68/66/435346866.db2.gz DGUOZAIYARTCDV-QGZVFWFLSA-N 2 1 304.503 3.490 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)(C)C ZINC000643547623 435349025 /nfs/dbraw/zinc/34/90/25/435349025.db2.gz IIYSSJIFIVJZGE-HIFRSBDPSA-N 2 1 304.482 3.272 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643548149 435349062 /nfs/dbraw/zinc/34/90/62/435349062.db2.gz NBFXJJFYDQCNSE-WCQYABFASA-N 2 1 309.841 3.069 20 0 DGADMP C[C@@H](NCCc1nccn1Cc1ccccc1)c1cscn1 ZINC000535777531 435351110 /nfs/dbraw/zinc/35/11/10/435351110.db2.gz GGEUEXKEGADIAX-CQSZACIVSA-N 2 1 312.442 3.281 20 0 DGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479783515 435355585 /nfs/dbraw/zinc/35/55/85/435355585.db2.gz WZPJQZUKFYRBPE-CALCHBBNSA-N 2 1 310.441 3.278 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000535810042 435356153 /nfs/dbraw/zinc/35/61/53/435356153.db2.gz XDSRZAGXISLUQD-XUVXKRRUSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000639471974 435311672 /nfs/dbraw/zinc/31/16/72/435311672.db2.gz IPWISHIPPFVFHD-PXNSSMCTSA-N 2 1 316.489 3.255 20 0 DGADMP c1ncc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC000639725170 435401562 /nfs/dbraw/zinc/40/15/62/435401562.db2.gz IFDORECGUYUWTH-UHFFFAOYSA-N 3 1 324.472 3.288 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000536709711 435403917 /nfs/dbraw/zinc/40/39/17/435403917.db2.gz JBYADOSSPXYLAO-RBUKOAKNSA-N 2 1 321.553 3.303 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)CC1 ZINC000639756893 435410208 /nfs/dbraw/zinc/41/02/08/435410208.db2.gz AATAEQQXBUFTAV-UHFFFAOYSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3OC3CC3)C2)CC1 ZINC000639756638 435410475 /nfs/dbraw/zinc/41/04/75/435410475.db2.gz ZWGYQTJHAZZCNI-UHFFFAOYSA-N 2 1 300.446 3.146 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237755 435411690 /nfs/dbraw/zinc/41/16/90/435411690.db2.gz FJKQXYDAPCQAQE-PBHICJAKSA-N 2 1 317.433 3.436 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237755 435411695 /nfs/dbraw/zinc/41/16/95/435411695.db2.gz FJKQXYDAPCQAQE-PBHICJAKSA-N 2 1 317.433 3.436 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CCO[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000536836228 435413159 /nfs/dbraw/zinc/41/31/59/435413159.db2.gz VTXXZPDOYFYXCN-CAMMJAKZSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1ncc(C[NH2+]CC2(N3CCCCC3)CCCCC2)n1C ZINC000568272984 435418424 /nfs/dbraw/zinc/41/84/24/435418424.db2.gz FWGSVAOWNFWBBE-UHFFFAOYSA-N 2 1 304.482 3.007 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067724 435369651 /nfs/dbraw/zinc/36/96/51/435369651.db2.gz XHFLIGIIBTWVAV-OAHLLOKOSA-N 2 1 308.385 3.065 20 0 DGADMP Cn1ccnc1[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067724 435369659 /nfs/dbraw/zinc/36/96/59/435369659.db2.gz XHFLIGIIBTWVAV-OAHLLOKOSA-N 2 1 308.385 3.065 20 0 DGADMP CC1(C)CO[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000639659900 435383672 /nfs/dbraw/zinc/38/36/72/435383672.db2.gz DFXPOKJNAKLXRJ-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc(C(=O)CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000480559492 435383810 /nfs/dbraw/zinc/38/38/10/435383810.db2.gz VLRLKXJPTDBZFN-SFHVURJKSA-N 2 1 314.473 3.232 20 0 DGADMP Cc1ccc(C(=O)CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000480559492 435383816 /nfs/dbraw/zinc/38/38/16/435383816.db2.gz VLRLKXJPTDBZFN-SFHVURJKSA-N 2 1 314.473 3.232 20 0 DGADMP Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000480559492 435383821 /nfs/dbraw/zinc/38/38/21/435383821.db2.gz VLRLKXJPTDBZFN-SFHVURJKSA-N 2 1 314.473 3.232 20 0 DGADMP Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000480559492 435383827 /nfs/dbraw/zinc/38/38/27/435383827.db2.gz VLRLKXJPTDBZFN-SFHVURJKSA-N 2 1 314.473 3.232 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000536542484 435387775 /nfs/dbraw/zinc/38/77/75/435387775.db2.gz NJBTVAICHBOOCP-ZQDZILKHSA-N 2 1 302.553 3.028 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000536542484 435387777 /nfs/dbraw/zinc/38/77/77/435387777.db2.gz NJBTVAICHBOOCP-ZQDZILKHSA-N 2 1 302.553 3.028 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000480695030 435391035 /nfs/dbraw/zinc/39/10/35/435391035.db2.gz ITUZRESENGYCAG-IAGOWNOFSA-N 2 1 304.478 3.480 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644531072 435447781 /nfs/dbraw/zinc/44/77/81/435447781.db2.gz ZDXGOOFGFPBTPM-PMACEKPBSA-N 2 1 318.505 3.285 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000639982800 435480647 /nfs/dbraw/zinc/48/06/47/435480647.db2.gz WJYSGBWACJICFV-UHFFFAOYSA-N 2 1 314.473 3.114 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000644546216 435452583 /nfs/dbraw/zinc/45/25/83/435452583.db2.gz ZZEQSZQLIJRZMY-CBNMVNINSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000644546216 435452588 /nfs/dbraw/zinc/45/25/88/435452588.db2.gz ZZEQSZQLIJRZMY-CBNMVNINSA-N 2 1 324.468 3.015 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCCC[C@@H]1C ZINC000482163633 435454303 /nfs/dbraw/zinc/45/43/03/435454303.db2.gz LQGANLPHJNPQIW-DLBZAZTESA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCCC[C@@H]1C ZINC000482163633 435454309 /nfs/dbraw/zinc/45/43/09/435454309.db2.gz LQGANLPHJNPQIW-DLBZAZTESA-N 2 1 316.489 3.407 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000482168163 435456098 /nfs/dbraw/zinc/45/60/98/435456098.db2.gz XERZUALXBVDABL-AEFFLSMTSA-N 2 1 317.477 3.115 20 0 DGADMP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000537647086 435460484 /nfs/dbraw/zinc/46/04/84/435460484.db2.gz HKVCDQVUQYDDEI-QGZVFWFLSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000537647086 435460488 /nfs/dbraw/zinc/46/04/88/435460488.db2.gz HKVCDQVUQYDDEI-QGZVFWFLSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000537647086 435460492 /nfs/dbraw/zinc/46/04/92/435460492.db2.gz HKVCDQVUQYDDEI-QGZVFWFLSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000537647086 435460497 /nfs/dbraw/zinc/46/04/97/435460497.db2.gz HKVCDQVUQYDDEI-QGZVFWFLSA-N 2 1 302.462 3.249 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537944802 435474819 /nfs/dbraw/zinc/47/48/19/435474819.db2.gz ODUTXRLIFQYQOP-SFNKJDCFSA-N 2 1 304.478 3.300 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000644646291 435476155 /nfs/dbraw/zinc/47/61/55/435476155.db2.gz LDPMASYPHHGGAO-LJQANCHMSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000644646291 435476159 /nfs/dbraw/zinc/47/61/59/435476159.db2.gz LDPMASYPHHGGAO-LJQANCHMSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000537971786 435478954 /nfs/dbraw/zinc/47/89/54/435478954.db2.gz GZODGQWESOKVSP-MAUKXSAKSA-N 2 1 304.478 3.293 20 0 DGADMP CCC[C@H](CC)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000537295572 435436973 /nfs/dbraw/zinc/43/69/73/435436973.db2.gz OGONILARGUDTKG-JKSUJKDBSA-N 2 1 309.523 3.205 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000568472843 435438794 /nfs/dbraw/zinc/43/87/94/435438794.db2.gz FNDZVRUENDFUSN-IMBTUZDBSA-N 2 1 304.478 3.443 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639871619 435441442 /nfs/dbraw/zinc/44/14/42/435441442.db2.gz ZLYQQQLBGZCTCQ-KRWDZBQOSA-N 2 1 305.441 3.275 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000569108197 435503421 /nfs/dbraw/zinc/50/34/21/435503421.db2.gz GNOGXHVKOWDMPT-SFHVURJKSA-N 2 1 322.452 3.330 20 0 DGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000538760292 435519573 /nfs/dbraw/zinc/51/95/73/435519573.db2.gz CISRUJAKHQXKEP-QXAKKESOSA-N 2 1 309.542 3.064 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000538760291 435520138 /nfs/dbraw/zinc/52/01/38/435520138.db2.gz CISRUJAKHQXKEP-QRQLOZEOSA-N 2 1 309.542 3.064 20 0 DGADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000483471829 435521282 /nfs/dbraw/zinc/52/12/82/435521282.db2.gz JLMNMDZTTIQMSP-RBUKOAKNSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483471829 435521284 /nfs/dbraw/zinc/52/12/84/435521284.db2.gz JLMNMDZTTIQMSP-RBUKOAKNSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483471829 435521291 /nfs/dbraw/zinc/52/12/91/435521291.db2.gz JLMNMDZTTIQMSP-RBUKOAKNSA-N 2 1 316.489 3.488 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000516339605 435529895 /nfs/dbraw/zinc/52/98/95/435529895.db2.gz BAOYEZYYQOAZJZ-AEFFLSMTSA-N 2 1 310.526 3.370 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCN2CCCCC2)CC1)CC1CC1 ZINC000538950538 435532716 /nfs/dbraw/zinc/53/27/16/435532716.db2.gz VBCUNUVMCZDFTK-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CC[N@H+](CCC1CCN(CC[NH+]2CCCCC2)CC1)CC1CC1 ZINC000538950538 435532721 /nfs/dbraw/zinc/53/27/21/435532721.db2.gz VBCUNUVMCZDFTK-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CC[N@@H+](CCC1CCN(CC[NH+]2CCCCC2)CC1)CC1CC1 ZINC000538950538 435532726 /nfs/dbraw/zinc/53/27/26/435532726.db2.gz VBCUNUVMCZDFTK-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000515469667 435485735 /nfs/dbraw/zinc/48/57/35/435485735.db2.gz XNWKIAQUYNFCKO-GOSISDBHSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000568985113 435489609 /nfs/dbraw/zinc/48/96/09/435489609.db2.gz ZXPQAFGGENKOJY-OXQOHEQNSA-N 3 1 315.505 3.278 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000640015699 435490887 /nfs/dbraw/zinc/49/08/87/435490887.db2.gz LMIOVSFGYJIUKS-KRWDZBQOSA-N 2 1 324.896 3.050 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000538405790 435496435 /nfs/dbraw/zinc/49/64/35/435496435.db2.gz FBDCWXVTPXVVML-XMTFNYHQSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000538405790 435496444 /nfs/dbraw/zinc/49/64/44/435496444.db2.gz FBDCWXVTPXVVML-XMTFNYHQSA-N 2 1 308.510 3.290 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000515710561 435500948 /nfs/dbraw/zinc/50/09/48/435500948.db2.gz RNHIOURUFYBKKY-QGZVFWFLSA-N 2 1 320.452 3.388 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407773 435550483 /nfs/dbraw/zinc/55/04/83/435550483.db2.gz OMJQNDAYJZKPCY-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407773 435550486 /nfs/dbraw/zinc/55/04/86/435550486.db2.gz OMJQNDAYJZKPCY-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407773 435550489 /nfs/dbraw/zinc/55/04/89/435550489.db2.gz OMJQNDAYJZKPCY-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407773 435550493 /nfs/dbraw/zinc/55/04/93/435550493.db2.gz OMJQNDAYJZKPCY-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000569713608 435554440 /nfs/dbraw/zinc/55/44/40/435554440.db2.gz WIPQRGFWSGBWAL-WOJBJXKFSA-N 2 1 323.440 3.228 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000569705950 435555202 /nfs/dbraw/zinc/55/52/02/435555202.db2.gz GOHOYSYMWSAEAL-LRDDRELGSA-N 2 1 318.852 3.146 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000569705950 435555206 /nfs/dbraw/zinc/55/52/06/435555206.db2.gz GOHOYSYMWSAEAL-LRDDRELGSA-N 2 1 318.852 3.146 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000484918258 435556122 /nfs/dbraw/zinc/55/61/22/435556122.db2.gz RKBLXIIYZJTOEW-HZPDHXFCSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516981869 435567142 /nfs/dbraw/zinc/56/71/42/435567142.db2.gz YMHVVUVXXACNRS-UXPWSPDFSA-N 3 1 315.505 3.278 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649378659 435573790 /nfs/dbraw/zinc/57/37/90/435573790.db2.gz ROGYUNUUDGKJNU-INIZCTEOSA-N 2 1 323.525 3.007 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850745 435577350 /nfs/dbraw/zinc/57/73/50/435577350.db2.gz HWFYKASUZXQXMD-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850745 435577354 /nfs/dbraw/zinc/57/73/54/435577354.db2.gz HWFYKASUZXQXMD-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000539850745 435577356 /nfs/dbraw/zinc/57/73/56/435577356.db2.gz HWFYKASUZXQXMD-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000539850745 435577362 /nfs/dbraw/zinc/57/73/62/435577362.db2.gz HWFYKASUZXQXMD-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418271 435582534 /nfs/dbraw/zinc/58/25/34/435582534.db2.gz SQMMCIYCVQUGQX-QLFBSQMISA-N 2 1 323.506 3.062 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418271 435582538 /nfs/dbraw/zinc/58/25/38/435582538.db2.gz SQMMCIYCVQUGQX-QLFBSQMISA-N 2 1 323.506 3.062 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@@H]1[NH3+] ZINC000649417027 435582783 /nfs/dbraw/zinc/58/27/83/435582783.db2.gz UVNSTDQGURYPJQ-MJGOQNOKSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000486088362 435588195 /nfs/dbraw/zinc/58/81/95/435588195.db2.gz RKIXVMMRIRVNSP-BPLDGKMQSA-N 2 1 300.368 3.262 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000539092490 435540972 /nfs/dbraw/zinc/54/09/72/435540972.db2.gz BYLDSZIQNLDDLJ-NWDGAFQWSA-N 2 1 317.260 3.445 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000539092490 435540974 /nfs/dbraw/zinc/54/09/74/435540974.db2.gz BYLDSZIQNLDDLJ-NWDGAFQWSA-N 2 1 317.260 3.445 20 0 DGADMP C[C@@H](c1ccc(F)c(Cl)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516659697 435546451 /nfs/dbraw/zinc/54/64/51/435546451.db2.gz BHWCGSWLKYZFRH-NSHDSACASA-N 2 1 308.788 3.085 20 0 DGADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000649508824 435612440 /nfs/dbraw/zinc/61/24/40/435612440.db2.gz GKWSKHOGTQDPJQ-GBESFXJTSA-N 2 1 308.510 3.126 20 0 DGADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000649508823 435612945 /nfs/dbraw/zinc/61/29/45/435612945.db2.gz GKWSKHOGTQDPJQ-CEXWTWQISA-N 2 1 308.510 3.126 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000570369702 435613241 /nfs/dbraw/zinc/61/32/41/435613241.db2.gz XALDNFALCJMFFF-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000570369702 435613244 /nfs/dbraw/zinc/61/32/44/435613244.db2.gz XALDNFALCJMFFF-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570369702 435613252 /nfs/dbraw/zinc/61/32/52/435613252.db2.gz XALDNFALCJMFFF-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CCCCC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000486801048 435616235 /nfs/dbraw/zinc/61/62/35/435616235.db2.gz KOBBNSWAAYBNKY-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000517970362 435620434 /nfs/dbraw/zinc/62/04/34/435620434.db2.gz XUZUXANAZMDWBU-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000517970362 435620439 /nfs/dbraw/zinc/62/04/39/435620439.db2.gz XUZUXANAZMDWBU-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000517970362 435620442 /nfs/dbraw/zinc/62/04/42/435620442.db2.gz XUZUXANAZMDWBU-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000517970362 435620446 /nfs/dbraw/zinc/62/04/46/435620446.db2.gz XUZUXANAZMDWBU-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000540977096 435630716 /nfs/dbraw/zinc/63/07/16/435630716.db2.gz SUYUWRRAISDTCZ-HOCLYGCPSA-N 2 1 312.461 3.306 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000518374782 435635563 /nfs/dbraw/zinc/63/55/63/435635563.db2.gz HSXMROSHJQQFFP-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000518374782 435635566 /nfs/dbraw/zinc/63/55/66/435635566.db2.gz HSXMROSHJQQFFP-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC(C)C ZINC000540197845 435594263 /nfs/dbraw/zinc/59/42/63/435594263.db2.gz SGICGWZIUOBHPG-RTBURBONSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000540506823 435606552 /nfs/dbraw/zinc/60/65/52/435606552.db2.gz UPHCVBGWMJKRKH-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762426 435647725 /nfs/dbraw/zinc/64/77/25/435647725.db2.gz WQQJINGWRZFOIF-YOEHRIQHSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762426 435647729 /nfs/dbraw/zinc/64/77/29/435647729.db2.gz WQQJINGWRZFOIF-YOEHRIQHSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762426 435647732 /nfs/dbraw/zinc/64/77/32/435647732.db2.gz WQQJINGWRZFOIF-YOEHRIQHSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762426 435647738 /nfs/dbraw/zinc/64/77/38/435647738.db2.gz WQQJINGWRZFOIF-YOEHRIQHSA-N 2 1 308.853 3.265 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827590 435650435 /nfs/dbraw/zinc/65/04/35/435650435.db2.gz IADBPMXFWDPUIP-XLIONFOSSA-N 2 1 324.468 3.179 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813518 435653607 /nfs/dbraw/zinc/65/36/07/435653607.db2.gz QJCOPQGYEBFVAH-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813518 435653611 /nfs/dbraw/zinc/65/36/11/435653611.db2.gz QJCOPQGYEBFVAH-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813518 435653615 /nfs/dbraw/zinc/65/36/15/435653615.db2.gz QJCOPQGYEBFVAH-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813518 435653619 /nfs/dbraw/zinc/65/36/19/435653619.db2.gz QJCOPQGYEBFVAH-APWZRJJASA-N 2 1 304.478 3.305 20 0 DGADMP COc1ccc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000649651939 435656981 /nfs/dbraw/zinc/65/69/81/435656981.db2.gz DMQHCYAQLYAPTJ-KRWDZBQOSA-N 2 1 317.477 3.144 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000519201324 435675009 /nfs/dbraw/zinc/67/50/09/435675009.db2.gz IPRVRWLRFSOVLQ-UHFFFAOYSA-N 2 1 306.498 3.106 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]12 ZINC000519400913 435681909 /nfs/dbraw/zinc/68/19/09/435681909.db2.gz WONOXCMTZSUWSY-NUEKZKHPSA-N 2 1 305.491 3.360 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]12 ZINC000519400913 435681911 /nfs/dbraw/zinc/68/19/11/435681911.db2.gz WONOXCMTZSUWSY-NUEKZKHPSA-N 2 1 305.491 3.360 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000519521409 435686165 /nfs/dbraw/zinc/68/61/65/435686165.db2.gz IHGWRXNNRRHPFE-YLJYHZDGSA-N 2 1 318.505 3.203 20 0 DGADMP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192590888 300357260 /nfs/dbraw/zinc/35/72/60/300357260.db2.gz FTKGZQVPTSTCCH-MPTYRVRUSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192590888 300357263 /nfs/dbraw/zinc/35/72/63/300357263.db2.gz FTKGZQVPTSTCCH-MPTYRVRUSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520206029 435728177 /nfs/dbraw/zinc/72/81/77/435728177.db2.gz QUOXZRNRUXLOLN-HZPDHXFCSA-N 2 1 314.477 3.411 20 0 DGADMP Cc1cccc(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655703298 435736285 /nfs/dbraw/zinc/73/62/85/435736285.db2.gz DWJMOGDANZDGNI-LJQANCHMSA-N 2 1 316.489 3.116 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655711549 435741972 /nfs/dbraw/zinc/74/19/72/435741972.db2.gz LLQJWCOAJLGZOI-AZUAARDMSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655711549 435741975 /nfs/dbraw/zinc/74/19/75/435741975.db2.gz LLQJWCOAJLGZOI-AZUAARDMSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655711549 435741982 /nfs/dbraw/zinc/74/19/82/435741982.db2.gz LLQJWCOAJLGZOI-AZUAARDMSA-N 2 1 324.472 3.206 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000651489774 435744620 /nfs/dbraw/zinc/74/46/20/435744620.db2.gz JVLLLPZKTDRLHC-WDSOQIARSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655716452 435745453 /nfs/dbraw/zinc/74/54/53/435745453.db2.gz XYRKXUVMHJKCLB-FXAWDEMLSA-N 2 1 316.489 3.332 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000655719375 435745690 /nfs/dbraw/zinc/74/56/90/435745690.db2.gz RXCVFEXCXUJIKV-RIFZZMRRSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000655719375 435745699 /nfs/dbraw/zinc/74/56/99/435745699.db2.gz RXCVFEXCXUJIKV-RIFZZMRRSA-N 2 1 324.472 3.346 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@]2(CC2(F)F)C1)[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000649907701 435745737 /nfs/dbraw/zinc/74/57/37/435745737.db2.gz YEHAYTFMEADSKR-RDBSUJKOSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@]2(CC2(F)F)C1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907701 435745747 /nfs/dbraw/zinc/74/57/47/435745747.db2.gz YEHAYTFMEADSKR-RDBSUJKOSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@]2(CC2(F)F)C1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907701 435745752 /nfs/dbraw/zinc/74/57/52/435745752.db2.gz YEHAYTFMEADSKR-RDBSUJKOSA-N 2 1 320.374 3.227 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000655720442 435746832 /nfs/dbraw/zinc/74/68/32/435746832.db2.gz XGNZDLYMOCCOBV-BEFAXECRSA-N 2 1 320.477 3.142 20 0 DGADMP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655716453 435748744 /nfs/dbraw/zinc/74/87/44/435748744.db2.gz XYRKXUVMHJKCLB-PXNSSMCTSA-N 2 1 316.489 3.332 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Sc1ccccc1 ZINC000655718859 435748982 /nfs/dbraw/zinc/74/89/82/435748982.db2.gz FAHNDYLGWSIRAY-NVXWUHKLSA-N 2 1 320.502 3.010 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000660452205 435750435 /nfs/dbraw/zinc/75/04/35/435750435.db2.gz CPLUULPOBADDGX-SFHVURJKSA-N 2 1 324.896 3.221 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000660452205 435750437 /nfs/dbraw/zinc/75/04/37/435750437.db2.gz CPLUULPOBADDGX-SFHVURJKSA-N 2 1 324.896 3.221 20 0 DGADMP CC[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655726818 435754534 /nfs/dbraw/zinc/75/45/34/435754534.db2.gz PYTZEKZAWQSKDI-QAPCUYQASA-N 2 1 324.415 3.259 20 0 DGADMP c1ccc(C2CC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655727066 435755573 /nfs/dbraw/zinc/75/55/73/435755573.db2.gz IUGNRVDRICCIER-LYBXBRPPSA-N 2 1 314.473 3.166 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655725954 435755668 /nfs/dbraw/zinc/75/56/68/435755668.db2.gz OGPXIAFLEMONIK-WMLDXEAASA-N 2 1 322.518 3.221 20 0 DGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000548714742 435711393 /nfs/dbraw/zinc/71/13/93/435711393.db2.gz RLJJEKHTZSZREU-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000548714742 435711397 /nfs/dbraw/zinc/71/13/97/435711397.db2.gz RLJJEKHTZSZREU-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655773352 435789942 /nfs/dbraw/zinc/78/99/42/435789942.db2.gz WXEADJJNXJOYFF-AOIWGVFYSA-N 2 1 308.510 3.436 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000655778110 435792731 /nfs/dbraw/zinc/79/27/31/435792731.db2.gz CKPIRUOAYPWHLE-QXAKKESOSA-N 2 1 306.494 3.188 20 0 DGADMP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655779574 435794376 /nfs/dbraw/zinc/79/43/76/435794376.db2.gz NYJFCKCPJAUBSC-YZGWKJHDSA-N 2 1 314.473 3.023 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC000660539771 435796278 /nfs/dbraw/zinc/79/62/78/435796278.db2.gz NTPBVTHHJBACIV-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539771 435796287 /nfs/dbraw/zinc/79/62/87/435796287.db2.gz NTPBVTHHJBACIV-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539771 435796294 /nfs/dbraw/zinc/79/62/94/435796294.db2.gz NTPBVTHHJBACIV-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000641717256 435798063 /nfs/dbraw/zinc/79/80/63/435798063.db2.gz CBUWPJGIJNJEKS-UHFFFAOYSA-N 2 1 324.428 3.010 20 0 DGADMP C[N@@H+](CCc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660543060 435799070 /nfs/dbraw/zinc/79/90/70/435799070.db2.gz ZSMAMZGJRLLLLC-YIONKMFJSA-N 2 1 315.486 3.396 20 0 DGADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000550606553 435807422 /nfs/dbraw/zinc/80/74/22/435807422.db2.gz XCPCNQBZDLATEU-OALUTQOASA-N 2 1 315.505 3.286 20 0 DGADMP Nc1cnccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000641755831 435811303 /nfs/dbraw/zinc/81/13/03/435811303.db2.gz VCHKQJJKNXQOLZ-SFHVURJKSA-N 2 1 324.472 3.056 20 0 DGADMP Nc1cnccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000641755831 435811310 /nfs/dbraw/zinc/81/13/10/435811310.db2.gz VCHKQJJKNXQOLZ-SFHVURJKSA-N 2 1 324.472 3.056 20 0 DGADMP Nc1cnccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000641755830 435811363 /nfs/dbraw/zinc/81/13/63/435811363.db2.gz VCHKQJJKNXQOLZ-GOSISDBHSA-N 2 1 324.472 3.056 20 0 DGADMP Nc1cnccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000641755830 435811372 /nfs/dbraw/zinc/81/13/72/435811372.db2.gz VCHKQJJKNXQOLZ-GOSISDBHSA-N 2 1 324.472 3.056 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651741756 435811658 /nfs/dbraw/zinc/81/16/58/435811658.db2.gz UWYKSSNJGMKJPW-HNNXBMFYSA-N 2 1 301.434 3.285 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651741756 435811663 /nfs/dbraw/zinc/81/16/63/435811663.db2.gz UWYKSSNJGMKJPW-HNNXBMFYSA-N 2 1 301.434 3.285 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805360 435814531 /nfs/dbraw/zinc/81/45/31/435814531.db2.gz GOLRIQBMZKEMDW-URLQWDBASA-N 3 1 312.461 3.172 20 0 DGADMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551029709 435819728 /nfs/dbraw/zinc/81/97/28/435819728.db2.gz PHOGMSPYESRCAB-VAMGGRTRSA-N 2 1 317.521 3.388 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000551032802 435820702 /nfs/dbraw/zinc/82/07/02/435820702.db2.gz YWNCFOPMSMGCER-FGTMMUONSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000551032802 435820707 /nfs/dbraw/zinc/82/07/07/435820707.db2.gz YWNCFOPMSMGCER-FGTMMUONSA-N 2 1 304.478 3.473 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474956 435767169 /nfs/dbraw/zinc/76/71/69/435767169.db2.gz SEVFQDBHRWQFGC-ROUUACIJSA-N 2 1 302.462 3.243 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3cc(C)ncn3)C2)s1 ZINC000641646649 435775105 /nfs/dbraw/zinc/77/51/05/435775105.db2.gz LAAOTEKMLXZXJN-OAHLLOKOSA-N 2 1 316.474 3.113 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497925 435778454 /nfs/dbraw/zinc/77/84/54/435778454.db2.gz UBNODKLSGDWIRC-HOTGVXAUSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497925 435778459 /nfs/dbraw/zinc/77/84/59/435778459.db2.gz UBNODKLSGDWIRC-HOTGVXAUSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497925 435778467 /nfs/dbraw/zinc/77/84/67/435778467.db2.gz UBNODKLSGDWIRC-HOTGVXAUSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497925 435778472 /nfs/dbraw/zinc/77/84/72/435778472.db2.gz UBNODKLSGDWIRC-HOTGVXAUSA-N 2 1 322.518 3.378 20 0 DGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757342 435778435 /nfs/dbraw/zinc/77/84/35/435778435.db2.gz FHLQINOORIIHQF-GJZGRUSLSA-N 2 1 322.415 3.196 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1ccc(Cl)cc1)CCO2 ZINC000646104506 435780874 /nfs/dbraw/zinc/78/08/74/435780874.db2.gz ONMDMBYTCRYBTA-UHFFFAOYSA-N 2 1 322.880 3.069 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC000572468750 435828573 /nfs/dbraw/zinc/82/85/73/435828573.db2.gz ZOHIRSPSIRLMEE-YSTOQKLRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000641808708 435829526 /nfs/dbraw/zinc/82/95/26/435829526.db2.gz ZZEBYNGSYUUYJI-APHBMKBZSA-N 2 1 317.477 3.027 20 0 DGADMP c1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)nsc2c1 ZINC000641799694 435829752 /nfs/dbraw/zinc/82/97/52/435829752.db2.gz PJCIWTYWKAHTTL-CZUORRHYSA-N 2 1 301.459 3.260 20 0 DGADMP c1ccc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)nsc2c1 ZINC000641799694 435829757 /nfs/dbraw/zinc/82/97/57/435829757.db2.gz PJCIWTYWKAHTTL-CZUORRHYSA-N 2 1 301.459 3.260 20 0 DGADMP COc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1SC ZINC000660659065 435840863 /nfs/dbraw/zinc/84/08/63/435840863.db2.gz MIPXYKAUTVVERE-GOSISDBHSA-N 2 1 320.502 3.335 20 0 DGADMP Cc1ccc(C)c(OCCN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657565 435842491 /nfs/dbraw/zinc/84/24/91/435842491.db2.gz YCZAPDVWASHAIS-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657565 435842498 /nfs/dbraw/zinc/84/24/98/435842498.db2.gz YCZAPDVWASHAIS-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657565 435842501 /nfs/dbraw/zinc/84/25/01/435842501.db2.gz YCZAPDVWASHAIS-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000651866068 435849303 /nfs/dbraw/zinc/84/93/03/435849303.db2.gz SRAYOWGVZVHIFA-UHFFFAOYSA-N 2 1 318.440 3.283 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000651866068 435849310 /nfs/dbraw/zinc/84/93/10/435849310.db2.gz SRAYOWGVZVHIFA-UHFFFAOYSA-N 2 1 318.440 3.283 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000572744143 435861995 /nfs/dbraw/zinc/86/19/95/435861995.db2.gz HAELBBMPMIWKEV-YOEHRIQHSA-N 2 1 321.440 3.007 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000572744143 435862003 /nfs/dbraw/zinc/86/20/03/435862003.db2.gz HAELBBMPMIWKEV-YOEHRIQHSA-N 2 1 321.440 3.007 20 0 DGADMP Cc1cccc([C@@H](C)[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660695349 435863659 /nfs/dbraw/zinc/86/36/59/435863659.db2.gz OUUHNYQQHMAKAT-QGZVFWFLSA-N 2 1 304.478 3.129 20 0 DGADMP COCc1ccccc1/C=C(\C)CNCC[N@@H+]1CC[C@H](C)C1 ZINC000552009573 435869768 /nfs/dbraw/zinc/86/97/68/435869768.db2.gz OJRQWRVVYWPEBH-WLSWZUKCSA-N 2 1 302.462 3.168 20 0 DGADMP COCc1ccccc1/C=C(\C)CNCC[N@H+]1CC[C@H](C)C1 ZINC000552009573 435869772 /nfs/dbraw/zinc/86/97/72/435869772.db2.gz OJRQWRVVYWPEBH-WLSWZUKCSA-N 2 1 302.462 3.168 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccns1 ZINC000641798052 435824828 /nfs/dbraw/zinc/82/48/28/435824828.db2.gz GXBLMWLXJGIIJH-AEFFLSMTSA-N 2 1 315.486 3.315 20 0 DGADMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000665276971 435935600 /nfs/dbraw/zinc/93/56/00/435935600.db2.gz QJTLVLWNARLLJM-WPBUFGDCSA-N 2 1 309.251 3.242 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656195755 435908970 /nfs/dbraw/zinc/90/89/70/435908970.db2.gz GIFGEOLZYCGELJ-AYBZRNKSSA-N 3 1 301.478 3.072 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652145048 435913626 /nfs/dbraw/zinc/91/36/26/435913626.db2.gz BKMLSOMNUXMORA-DZGCQCFKSA-N 2 1 324.465 3.093 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC2CCC2)cc1 ZINC000665256213 435930632 /nfs/dbraw/zinc/93/06/32/435930632.db2.gz SLBSAECLBFZHMT-JVPBZIDWSA-N 2 1 302.462 3.309 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(C)C)cc1F ZINC000665259159 435932071 /nfs/dbraw/zinc/93/20/71/435932071.db2.gz WROLKKXBJKUKCS-QRTARXTBSA-N 2 1 308.441 3.304 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257617 435932130 /nfs/dbraw/zinc/93/21/30/435932130.db2.gz OIMCVVBMCKEXDB-NIKGAXFTSA-N 2 1 320.452 3.066 20 0 DGADMP COCc1csc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000665263218 435932694 /nfs/dbraw/zinc/93/26/94/435932694.db2.gz INWLMDBIKOREQF-WMZOPIPTSA-N 2 1 316.470 3.477 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C(F)F)c2)C1 ZINC000652363492 435959215 /nfs/dbraw/zinc/95/92/15/435959215.db2.gz FYVQTGFXQWOYPI-IXDOHACOSA-N 2 1 324.415 3.485 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000652358534 435959342 /nfs/dbraw/zinc/95/93/42/435959342.db2.gz PWWHWQGFFSNXCL-MSOLQXFVSA-N 2 1 302.462 3.092 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363638 435959777 /nfs/dbraw/zinc/95/97/77/435959777.db2.gz JULABUBJLCVRAM-QRVBRYPASA-N 2 1 302.462 3.110 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C(F)F)c2)C1 ZINC000652363491 435960027 /nfs/dbraw/zinc/96/00/27/435960027.db2.gz FYVQTGFXQWOYPI-IKGGRYGDSA-N 2 1 324.415 3.485 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000647172863 435960231 /nfs/dbraw/zinc/96/02/31/435960231.db2.gz MURNVIGRFBGZPI-MRXNPFEDSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CO1 ZINC000647171868 435960544 /nfs/dbraw/zinc/96/05/44/435960544.db2.gz ZKHFCNDTDHYQFB-FRQCXROJSA-N 2 1 302.462 3.328 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708539 435994402 /nfs/dbraw/zinc/99/44/02/435994402.db2.gz CHSYOFXMWYTYLD-LPHOPBHVSA-N 2 1 318.461 3.045 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cscc3Cl)C2)C1 ZINC000650707599 435994464 /nfs/dbraw/zinc/99/44/64/435994464.db2.gz JCZPWOWIXVTYSZ-NJZAAPMLSA-N 2 1 314.882 3.120 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707733 435994616 /nfs/dbraw/zinc/99/46/16/435994616.db2.gz LZQJWQXUAYTKBH-YQVWRLOYSA-N 2 1 302.462 3.022 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647201725 435972985 /nfs/dbraw/zinc/97/29/85/435972985.db2.gz ZGHMLOMGWOKQLA-SFHVURJKSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647201725 435972986 /nfs/dbraw/zinc/97/29/86/435972986.db2.gz ZGHMLOMGWOKQLA-SFHVURJKSA-N 2 1 302.462 3.198 20 0 DGADMP CCC1(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCOCC1 ZINC000647249264 435992968 /nfs/dbraw/zinc/99/29/68/435992968.db2.gz ODTCYSRUVFTOEY-MOPGFXCFSA-N 2 1 316.489 3.128 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280484 435939082 /nfs/dbraw/zinc/93/90/82/435939082.db2.gz CXWZORLTLXTTER-RDTXWAMCSA-N 3 1 300.450 3.205 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc2C1 ZINC000652338385 435953892 /nfs/dbraw/zinc/95/38/92/435953892.db2.gz ZUTMNNGQOIVCQI-OAQYLSRUSA-N 2 1 306.453 3.322 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347165 435954561 /nfs/dbraw/zinc/95/45/61/435954561.db2.gz UHJOUWIZLIYLJV-KCMWZYNZSA-N 2 1 306.425 3.105 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166360 435956588 /nfs/dbraw/zinc/95/65/88/435956588.db2.gz KKSOMDCRAVUAEP-GOSISDBHSA-N 2 1 302.462 3.200 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166360 435956594 /nfs/dbraw/zinc/95/65/94/435956594.db2.gz KKSOMDCRAVUAEP-GOSISDBHSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)[C@H]1CC[NH3+] ZINC000652355663 435956702 /nfs/dbraw/zinc/95/67/02/435956702.db2.gz CIKQLEFKROMASN-BBRMVZONSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)[C@H]1CC[NH3+] ZINC000652355663 435956707 /nfs/dbraw/zinc/95/67/07/435956707.db2.gz CIKQLEFKROMASN-BBRMVZONSA-N 2 1 317.408 3.430 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000652348621 435957533 /nfs/dbraw/zinc/95/75/33/435957533.db2.gz KPONLNMZGQBTPY-WLWJZTKJSA-N 2 1 318.436 3.031 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000650708931 435998401 /nfs/dbraw/zinc/99/84/01/435998401.db2.gz VYTITMVNOZVBFJ-KNJMJIDISA-N 2 1 314.473 3.008 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650711083 435998984 /nfs/dbraw/zinc/99/89/84/435998984.db2.gz HQTBAPQGUIZCQA-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCC[N@@H+](CCNC1CC[NH2+]CC1)Cc1ccccc1 ZINC000650710679 435999451 /nfs/dbraw/zinc/99/94/51/435999451.db2.gz WSCNUDYSTTXNOR-UHFFFAOYSA-N 2 1 303.494 3.020 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000650715107 436000852 /nfs/dbraw/zinc/00/08/52/436000852.db2.gz PGYXAJMVAIIOGK-ROUUACIJSA-N 2 1 302.462 3.092 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000650718183 436002582 /nfs/dbraw/zinc/00/25/82/436002582.db2.gz AYVJEUAQSGPQHX-UHFFFAOYSA-N 2 1 303.475 3.450 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650722998 436005290 /nfs/dbraw/zinc/00/52/90/436005290.db2.gz FTRNXBOLQOVNPC-XYPHTWIQSA-N 2 1 308.491 3.171 20 0 DGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000650722459 436005416 /nfs/dbraw/zinc/00/54/16/436005416.db2.gz UHDDPCKFSJXDAR-OTWHNJEPSA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000650722261 436006294 /nfs/dbraw/zinc/00/62/94/436006294.db2.gz ODPDUHJOUWQYON-HHXXYDBFSA-N 2 1 314.429 3.294 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2sccc2Cl)C1 ZINC000650723343 436007584 /nfs/dbraw/zinc/00/75/84/436007584.db2.gz LUJXUBDQFQXKJX-XBFCOCLRSA-N 2 1 314.882 3.262 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000650724472 436008065 /nfs/dbraw/zinc/00/80/65/436008065.db2.gz GUYCDIGKCVHJJF-YHDCXSKOSA-N 2 1 314.473 3.151 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723259 436008669 /nfs/dbraw/zinc/00/86/69/436008669.db2.gz KLCLOFZNMIAMJJ-AFYVEPGGSA-N 2 1 316.489 3.226 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000656692151 436010334 /nfs/dbraw/zinc/01/03/34/436010334.db2.gz KVDULNBXYDQIJZ-HNAYVOBHSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000656692151 436010337 /nfs/dbraw/zinc/01/03/37/436010337.db2.gz KVDULNBXYDQIJZ-HNAYVOBHSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690826 436011594 /nfs/dbraw/zinc/01/15/94/436011594.db2.gz MXMWBBMGNDRTEK-DLBZAZTESA-N 2 1 310.869 3.082 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690826 436011598 /nfs/dbraw/zinc/01/15/98/436011598.db2.gz MXMWBBMGNDRTEK-DLBZAZTESA-N 2 1 310.869 3.082 20 0 DGADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(OC)c1 ZINC000650752326 436019589 /nfs/dbraw/zinc/01/95/89/436019589.db2.gz OVMVVVFUJSGPCF-LBPRGKRZSA-N 2 1 318.392 3.152 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000647344667 436026453 /nfs/dbraw/zinc/02/64/53/436026453.db2.gz WMXCLQMPQLUQJP-LESCRADOSA-N 2 1 313.420 3.217 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000647344667 436026457 /nfs/dbraw/zinc/02/64/57/436026457.db2.gz WMXCLQMPQLUQJP-LESCRADOSA-N 2 1 313.420 3.217 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@@H](C)C1 ZINC000647349215 436028871 /nfs/dbraw/zinc/02/88/71/436028871.db2.gz DVFYRFOXOLJHHI-BFWZDYSYSA-N 2 1 314.489 3.241 20 0 DGADMP c1cn(-c2ccccc2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656787333 436044765 /nfs/dbraw/zinc/04/47/65/436044765.db2.gz XVMGUBWTNYKGQH-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP Fc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc(F)c1F ZINC000656786645 436044877 /nfs/dbraw/zinc/04/48/77/436044877.db2.gz VLZFPYLVOSQDBH-AWEZNQCLSA-N 2 1 312.379 3.316 20 0 DGADMP c1ccc(-c2nc3c(s2)C[N@H+](C[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000656788079 436047219 /nfs/dbraw/zinc/04/72/19/436047219.db2.gz AKNRAVOLVKAPAU-CQSZACIVSA-N 2 1 313.470 3.168 20 0 DGADMP c1ccc(-c2nc3c(s2)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000656788079 436047226 /nfs/dbraw/zinc/04/72/26/436047226.db2.gz AKNRAVOLVKAPAU-CQSZACIVSA-N 2 1 313.470 3.168 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705332 435996573 /nfs/dbraw/zinc/99/65/73/435996573.db2.gz DQBCKTRASJGLTR-OTWHNJEPSA-N 2 1 302.462 3.022 20 0 DGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000647479797 436058962 /nfs/dbraw/zinc/05/89/62/436058962.db2.gz UUHOPJLKOQGAGX-RBUKOAKNSA-N 2 1 314.473 3.018 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccccc2)n1 ZINC000647479949 436059499 /nfs/dbraw/zinc/05/94/99/436059499.db2.gz YPKKEHVLFSJKGX-HKUYNNGSSA-N 2 1 324.472 3.051 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647485605 436063618 /nfs/dbraw/zinc/06/36/18/436063618.db2.gz IEYDFUDJPJTOGP-WBVHZDCISA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647485605 436063620 /nfs/dbraw/zinc/06/36/20/436063620.db2.gz IEYDFUDJPJTOGP-WBVHZDCISA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498951 436064948 /nfs/dbraw/zinc/06/49/48/436064948.db2.gz UPYASDIFSFTEKC-RTBURBONSA-N 2 1 317.521 3.204 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647498420 436066514 /nfs/dbraw/zinc/06/65/14/436066514.db2.gz GWQZDHCDEZNVGQ-LRDDRELGSA-N 2 1 318.852 3.289 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OC ZINC000647505650 436068158 /nfs/dbraw/zinc/06/81/58/436068158.db2.gz PAASSYMHCTZIKN-AWEZNQCLSA-N 2 1 308.466 3.289 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647499047 436068188 /nfs/dbraw/zinc/06/81/88/436068188.db2.gz XSTIVHCCPOYJSI-SJORKVTESA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647499047 436068191 /nfs/dbraw/zinc/06/81/91/436068191.db2.gz XSTIVHCCPOYJSI-SJORKVTESA-N 2 1 320.477 3.433 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647513291 436068447 /nfs/dbraw/zinc/06/84/47/436068447.db2.gz QBNMDEZJYINCDZ-INIZCTEOSA-N 2 1 316.445 3.160 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647509875 436069209 /nfs/dbraw/zinc/06/92/09/436069209.db2.gz KZPWHALSPCZLPF-UKRRQHHQSA-N 2 1 324.428 3.002 20 0 DGADMP c1cnc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647543265 436077446 /nfs/dbraw/zinc/07/74/46/436077446.db2.gz KESJRKOKINVQGX-MOPGFXCFSA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542892 436077488 /nfs/dbraw/zinc/07/74/88/436077488.db2.gz DKDIQTXKRXGKFQ-RCCFBDPRSA-N 2 1 314.473 3.264 20 0 DGADMP c1cnc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647543268 436077600 /nfs/dbraw/zinc/07/76/00/436077600.db2.gz KESJRKOKINVQGX-RTBURBONSA-N 2 1 309.457 3.446 20 0 DGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543696 436077888 /nfs/dbraw/zinc/07/78/88/436077888.db2.gz RDUQHSGRABODNP-WMZOPIPTSA-N 2 1 309.457 3.446 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543191 436078688 /nfs/dbraw/zinc/07/86/88/436078688.db2.gz IZFNYOXYNWMOOX-HZPDHXFCSA-N 2 1 324.415 3.500 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543841 436078703 /nfs/dbraw/zinc/07/87/03/436078703.db2.gz STXOVNVNZLGHAE-CABCVRRESA-N 2 1 307.507 3.478 20 0 DGADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543150 436078987 /nfs/dbraw/zinc/07/89/87/436078987.db2.gz IGOJJHLAONQEBY-QZTJIDSGSA-N 2 1 324.472 3.084 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542780 436079471 /nfs/dbraw/zinc/07/94/71/436079471.db2.gz BQTHXZSKFGOXPU-LSDHHAIUSA-N 2 1 307.507 3.478 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544369 436080064 /nfs/dbraw/zinc/08/00/64/436080064.db2.gz ZMHKLCJOBBITRD-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP c1sc(C2CC2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544215 436080205 /nfs/dbraw/zinc/08/02/05/436080205.db2.gz YGHVWYWOGQLNJI-GJZGRUSLSA-N 2 1 305.491 3.232 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544370 436080995 /nfs/dbraw/zinc/08/09/95/436080995.db2.gz ZMHKLCJOBBITRD-ROUUACIJSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548615 436081076 /nfs/dbraw/zinc/08/10/76/436081076.db2.gz KWEWOTBFULZZDE-QKLQHJQFSA-N 3 1 315.505 3.149 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000647549727 436081102 /nfs/dbraw/zinc/08/11/02/436081102.db2.gz OGYRFYLWQLCLHK-STQMWFEESA-N 2 1 323.278 3.068 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]CCCCN2CC[NH+](CC)CC2)CC1 ZINC000657308136 436129875 /nfs/dbraw/zinc/12/98/75/436129875.db2.gz OLGGCMKQHLVAPK-MOPGFXCFSA-N 2 1 309.542 3.353 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000647840254 436131541 /nfs/dbraw/zinc/13/15/41/436131541.db2.gz XIOXCMMAULGFBT-QWHCGFSZSA-N 2 1 300.406 3.055 20 0 DGADMP C[C@@H]1C[C@H]1c1ccc(CNCc2ccnn2-c2ccncc2)o1 ZINC000657317964 436135021 /nfs/dbraw/zinc/13/50/21/436135021.db2.gz GPGLDPBCCYFQSW-CXAGYDPISA-N 2 1 308.385 3.274 20 0 DGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H]1CC[NH2+]C1 ZINC000647877130 436138698 /nfs/dbraw/zinc/13/86/98/436138698.db2.gz JGTCHOOQWDZLOE-AWEZNQCLSA-N 2 1 311.267 3.269 20 0 DGADMP COc1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647875076 436138736 /nfs/dbraw/zinc/13/87/36/436138736.db2.gz UNKJFMYTMCSDLX-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(CC[N@H+](Cc2ccccc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647884165 436140077 /nfs/dbraw/zinc/14/00/77/436140077.db2.gz WSWNSGILKWNAHX-FQEVSTJZSA-N 2 1 324.468 3.349 20 0 DGADMP Brc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647878459 436141043 /nfs/dbraw/zinc/14/10/43/436141043.db2.gz JKIOUCWDKSWQCW-WFASDCNBSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647878459 436141048 /nfs/dbraw/zinc/14/10/48/436141048.db2.gz JKIOUCWDKSWQCW-WFASDCNBSA-N 2 1 309.251 3.196 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000666082853 436141105 /nfs/dbraw/zinc/14/11/05/436141105.db2.gz KBLUVGCDAXDEOJ-OAGGEKHMSA-N 2 1 304.865 3.414 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902886 436145039 /nfs/dbraw/zinc/14/50/39/436145039.db2.gz DDULHOUOFILZCV-ZWKOTPCHSA-N 2 1 302.462 3.146 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)s2)cc1 ZINC000653279621 436152204 /nfs/dbraw/zinc/15/22/04/436152204.db2.gz UQULDKYITQJWRH-UKRRQHHQSA-N 2 1 301.459 3.430 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)s2)cc1 ZINC000653279621 436152208 /nfs/dbraw/zinc/15/22/08/436152208.db2.gz UQULDKYITQJWRH-UKRRQHHQSA-N 2 1 301.459 3.430 20 0 DGADMP Clc1cccc(OCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000647956631 436157987 /nfs/dbraw/zinc/15/79/87/436157987.db2.gz RFHPQPVVGSFBLY-KRWDZBQOSA-N 2 1 308.853 3.184 20 0 DGADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651274764 436159264 /nfs/dbraw/zinc/15/92/64/436159264.db2.gz LJFOXYHTDKFBFO-OTWHNJEPSA-N 2 1 316.489 3.038 20 0 DGADMP C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)CC1CCOCC1 ZINC000647978530 436166906 /nfs/dbraw/zinc/16/69/06/436166906.db2.gz TZNPGPYMFNQKRC-RBUKOAKNSA-N 2 1 308.510 3.295 20 0 DGADMP C[C@]12COC[C@@H]1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000661706680 436162315 /nfs/dbraw/zinc/16/23/15/436162315.db2.gz HJTDRGVALGVPRZ-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965553 436162356 /nfs/dbraw/zinc/16/23/56/436162356.db2.gz AEQPCHVJGYZXII-OIISXLGYSA-N 2 1 308.466 3.062 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000647973976 436164402 /nfs/dbraw/zinc/16/44/02/436164402.db2.gz MVWKVBKILKETEP-ZBFHGGJFSA-N 2 1 312.379 3.322 20 0 DGADMP Brc1ccccc1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647990192 436169664 /nfs/dbraw/zinc/16/96/64/436169664.db2.gz DYKFAHKXOXXQLN-CYBMUJFWSA-N 2 1 323.278 3.238 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000647997637 436171711 /nfs/dbraw/zinc/17/17/11/436171711.db2.gz UWVPWFSKJBZCMT-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000647997634 436172907 /nfs/dbraw/zinc/17/29/07/436172907.db2.gz UWVPWFSKJBZCMT-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976871 436167601 /nfs/dbraw/zinc/16/76/01/436167601.db2.gz VKVORALWRINFFK-ZWKOTPCHSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657396077 436179168 /nfs/dbraw/zinc/17/91/68/436179168.db2.gz FZBINBFCBFIWGA-CQSZACIVSA-N 2 1 321.428 3.174 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000653504823 436187116 /nfs/dbraw/zinc/18/71/16/436187116.db2.gz KTYFXYMUUHPAAZ-LJQANCHMSA-N 2 1 313.445 3.034 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000653504823 436187121 /nfs/dbraw/zinc/18/71/21/436187121.db2.gz KTYFXYMUUHPAAZ-LJQANCHMSA-N 2 1 313.445 3.034 20 0 DGADMP C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000661768512 436183933 /nfs/dbraw/zinc/18/39/33/436183933.db2.gz XVJVXZKQFFLBMD-QFBILLFUSA-N 2 1 302.462 3.018 20 0 DGADMP Cc1ccccc1-n1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000648027335 436185952 /nfs/dbraw/zinc/18/59/52/436185952.db2.gz DWNCMZZCFJXEGH-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP COC1CC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657526323 436233475 /nfs/dbraw/zinc/23/34/75/436233475.db2.gz ANULYTBVDUGVJM-UHFFFAOYSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530329 436236274 /nfs/dbraw/zinc/23/62/74/436236274.db2.gz AXPOVQILNKOSJZ-MSOLQXFVSA-N 2 1 314.473 3.341 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530329 436236277 /nfs/dbraw/zinc/23/62/77/436236277.db2.gz AXPOVQILNKOSJZ-MSOLQXFVSA-N 2 1 314.473 3.341 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657416180 436189034 /nfs/dbraw/zinc/18/90/34/436189034.db2.gz RAUWJSPAPPKKEE-OJAHFUOMSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-n3ccnc3)cs1)CCOCC2 ZINC000648071331 436201620 /nfs/dbraw/zinc/20/16/20/436201620.db2.gz YNELGLISLLTNAS-AWEZNQCLSA-N 2 1 317.458 3.325 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072021 436205352 /nfs/dbraw/zinc/20/53/52/436205352.db2.gz HJGVVLCFIXCOMK-UHFFFAOYSA-N 2 1 316.489 3.149 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000653572907 436212557 /nfs/dbraw/zinc/21/25/57/436212557.db2.gz ICVYVYGTWNZZDY-HNNXBMFYSA-N 2 1 324.428 3.374 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000653572907 436212562 /nfs/dbraw/zinc/21/25/62/436212562.db2.gz ICVYVYGTWNZZDY-HNNXBMFYSA-N 2 1 324.428 3.374 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657469578 436216158 /nfs/dbraw/zinc/21/61/58/436216158.db2.gz KHGHXISQBSNHCX-XUVXKRRUSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(OC2CC2)c1F)C1CC1 ZINC000657487007 436222904 /nfs/dbraw/zinc/22/29/04/436222904.db2.gz FOMRAYHEOMVBCW-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP CC[N@@H+](CCCNCc1ccnn1CC1CC1)C1CCCCC1 ZINC000657500582 436230019 /nfs/dbraw/zinc/23/00/19/436230019.db2.gz MRCSYMARPZDYIZ-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1ccnn1CC1CC1)C1CCCCC1 ZINC000657500582 436230023 /nfs/dbraw/zinc/23/00/23/436230023.db2.gz MRCSYMARPZDYIZ-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1ccnn1CC1CC1)C1CCCCC1 ZINC000657500582 436230027 /nfs/dbraw/zinc/23/00/27/436230027.db2.gz MRCSYMARPZDYIZ-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1OC ZINC000666798901 436284296 /nfs/dbraw/zinc/28/42/96/436284296.db2.gz QEUDKOBKPRKIDX-HOCLYGCPSA-N 2 1 308.466 3.336 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159780 436288684 /nfs/dbraw/zinc/28/86/84/436288684.db2.gz KVJRAXRPTSYULT-HRAATJIYSA-N 2 1 324.468 3.432 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159780 436288686 /nfs/dbraw/zinc/28/86/86/436288686.db2.gz KVJRAXRPTSYULT-HRAATJIYSA-N 2 1 324.468 3.432 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2CC2CCCC2)CC1 ZINC000653892582 436292315 /nfs/dbraw/zinc/29/23/15/436292315.db2.gz KGTKXKBOFBZETE-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000657751284 436295898 /nfs/dbraw/zinc/29/58/98/436295898.db2.gz OYGWUKWQPIAVDC-KSSFIOAISA-N 2 1 322.880 3.286 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653910157 436296232 /nfs/dbraw/zinc/29/62/32/436296232.db2.gz UTADVCUBYAYCFV-MSOLQXFVSA-N 2 1 313.445 3.422 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)C2(CCCCC2)C1)Cc1ccccc1 ZINC000653722124 436251921 /nfs/dbraw/zinc/25/19/21/436251921.db2.gz HOSJTHZDABUHKT-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[NH+](CCN1CC[N@H+](C)C2(CCCCC2)C1)Cc1ccccc1 ZINC000653722124 436251923 /nfs/dbraw/zinc/25/19/23/436251923.db2.gz HOSJTHZDABUHKT-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[NH+](CCN1CC[N@@H+](C)C2(CCCCC2)C1)Cc1ccccc1 ZINC000653722124 436251926 /nfs/dbraw/zinc/25/19/26/436251926.db2.gz HOSJTHZDABUHKT-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594643 436258155 /nfs/dbraw/zinc/25/81/55/436258155.db2.gz JSCAYOCDGXRPCB-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662050121 436259273 /nfs/dbraw/zinc/25/92/73/436259273.db2.gz PKQDBHBIKZMANA-GOSISDBHSA-N 2 1 314.473 3.331 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(C)(C)C3CC3)CC2)CC1 ZINC000653768893 436262110 /nfs/dbraw/zinc/26/21/10/436262110.db2.gz GBJFUVWUYJFSON-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP CC(C)c1nc([C@H]2CCCCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC000666705445 436267951 /nfs/dbraw/zinc/26/79/51/436267951.db2.gz QZOZCBNRBPEEDD-OWCLPIDISA-N 2 1 320.481 3.498 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3ccncc3)C3(CCC3)C2)cc1 ZINC000657771448 436301142 /nfs/dbraw/zinc/30/11/42/436301142.db2.gz IMQQURPGTFTPCL-HXUWFJFHSA-N 2 1 321.468 3.474 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244675 436311579 /nfs/dbraw/zinc/31/15/79/436311579.db2.gz JOJYVDWRDMXEGW-NWDGAFQWSA-N 2 1 300.418 3.116 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244675 436311585 /nfs/dbraw/zinc/31/15/85/436311585.db2.gz JOJYVDWRDMXEGW-NWDGAFQWSA-N 2 1 300.418 3.116 20 0 DGADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](CC)c1ccccc1 ZINC000662251814 436314043 /nfs/dbraw/zinc/31/40/43/436314043.db2.gz JZBLQGDYGZYDNZ-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@@H+](CCCOc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251928 436314250 /nfs/dbraw/zinc/31/42/50/436314250.db2.gz IVLVSSRVOOJCNG-UHFFFAOYSA-N 2 1 310.441 3.233 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000662264758 436316691 /nfs/dbraw/zinc/31/66/91/436316691.db2.gz KWWKUUHPHKVQIY-GOEBONIOSA-N 2 1 315.486 3.303 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000662273916 436320602 /nfs/dbraw/zinc/32/06/02/436320602.db2.gz QRJRKNMSWSIUGY-JKSUJKDBSA-N 2 1 320.502 3.109 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccncc2s1 ZINC000657835177 436321285 /nfs/dbraw/zinc/32/12/85/436321285.db2.gz OIZLMCUXQMVRHE-OLZOCXBDSA-N 2 1 301.459 3.431 20 0 DGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280206 436321394 /nfs/dbraw/zinc/32/13/94/436321394.db2.gz YZDZQGZPECZCBH-ZIAGYGMSSA-N 2 1 323.506 3.089 20 0 DGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280204 436321630 /nfs/dbraw/zinc/32/16/30/436321630.db2.gz YZDZQGZPECZCBH-KGLIPLIRSA-N 2 1 323.506 3.089 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000662273905 436321682 /nfs/dbraw/zinc/32/16/82/436321682.db2.gz QPWNXSOSOGTKOB-UONOGXRCSA-N 2 1 308.853 3.170 20 0 DGADMP COc1cccc(SCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000662277547 436322427 /nfs/dbraw/zinc/32/24/27/436322427.db2.gz VZFLIUQAMHPYRV-QAPCUYQASA-N 2 1 320.502 3.251 20 0 DGADMP COc1cccc(SCC[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000662275812 436322535 /nfs/dbraw/zinc/32/25/35/436322535.db2.gz BEPKVTUXBSHFER-QGZVFWFLSA-N 2 1 308.491 3.285 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000662285826 436323841 /nfs/dbraw/zinc/32/38/41/436323841.db2.gz NMGXNKFSPQVZMV-JONQDZQNSA-N 2 1 316.436 3.030 20 0 DGADMP COc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1Cl ZINC000662283100 436324464 /nfs/dbraw/zinc/32/44/64/436324464.db2.gz KYZTVWNOMGYRFW-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294086 436325630 /nfs/dbraw/zinc/32/56/30/436325630.db2.gz OWZZBNXMERGXPS-MAUKXSAKSA-N 2 1 302.462 3.468 20 0 DGADMP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC(C)(C)CC(C)(C)C1 ZINC000662301147 436325757 /nfs/dbraw/zinc/32/57/57/436325757.db2.gz BDDHFNMNYXRUGB-UHFFFAOYSA-N 2 1 308.470 3.300 20 0 DGADMP c1ccc(COCCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293512 436326152 /nfs/dbraw/zinc/32/61/52/436326152.db2.gz LRJRIPXSZBHQGN-HXUWFJFHSA-N 2 1 316.489 3.305 20 0 DGADMP c1ccc(SCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297530 436326533 /nfs/dbraw/zinc/32/65/33/436326533.db2.gz RDUPUVNCUSLKKV-QGZVFWFLSA-N 2 1 304.503 3.490 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000662314737 436328460 /nfs/dbraw/zinc/32/84/60/436328460.db2.gz BNTSHUGYDLMXFC-QZTJIDSGSA-N 2 1 302.462 3.250 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000662314738 436328843 /nfs/dbraw/zinc/32/88/43/436328843.db2.gz BNTSHUGYDLMXFC-ROUUACIJSA-N 2 1 302.462 3.250 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCc3ccccc32)cc1 ZINC000662321806 436330532 /nfs/dbraw/zinc/33/05/32/436330532.db2.gz JOYBMQCYOJVNMI-OALUTQOASA-N 2 1 324.468 3.399 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000662327379 436331203 /nfs/dbraw/zinc/33/12/03/436331203.db2.gz HPTRUMDMFHRYNY-JGCRXCKMSA-N 2 1 322.452 3.359 20 0 DGADMP c1ccc(C23CC(C2)C[N@@H+]3Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000662328740 436331809 /nfs/dbraw/zinc/33/18/09/436331809.db2.gz UNBWGNSEJXJDQG-UHFFFAOYSA-N 2 1 304.437 3.453 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658058115 436361877 /nfs/dbraw/zinc/36/18/77/436361877.db2.gz CLPGZXDGLZIXGO-ACAXCVFMSA-N 2 1 316.489 3.302 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658058115 436361882 /nfs/dbraw/zinc/36/18/82/436361882.db2.gz CLPGZXDGLZIXGO-ACAXCVFMSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccncc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658124488 436381553 /nfs/dbraw/zinc/38/15/53/436381553.db2.gz BRDQTYIMMMSGIC-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP CCCC[C@H](CC)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136830 436384465 /nfs/dbraw/zinc/38/44/65/436384465.db2.gz FJVJBUNTBREWRH-OALUTQOASA-N 2 1 304.478 3.312 20 0 DGADMP CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136107 436384744 /nfs/dbraw/zinc/38/47/44/436384744.db2.gz BOUDRSKWAVAKBW-RTBURBONSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138093 436385451 /nfs/dbraw/zinc/38/54/51/436385451.db2.gz IRPIBQAWUCXFQP-YLJYHZDGSA-N 2 1 316.489 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658144452 436386357 /nfs/dbraw/zinc/38/63/57/436386357.db2.gz MCXCEQQGCDEWGM-OXJNMPFZSA-N 2 1 310.441 3.104 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)C1 ZINC000658144968 436386384 /nfs/dbraw/zinc/38/63/84/436386384.db2.gz PNBQAROQODRDBB-TZIWHRDSSA-N 2 1 322.452 3.030 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658152643 436386799 /nfs/dbraw/zinc/38/67/99/436386799.db2.gz UTLAZPWIFXVGOP-KGLIPLIRSA-N 2 1 319.474 3.495 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccs1 ZINC000658146020 436387412 /nfs/dbraw/zinc/38/74/12/436387412.db2.gz TUJSPZNRCIHLQD-RHSMWYFYSA-N 2 1 316.470 3.166 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658230362 436407261 /nfs/dbraw/zinc/40/72/61/436407261.db2.gz YQORJFWVNJOCFA-NVXWUHKLSA-N 2 1 317.477 3.018 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658230362 436407263 /nfs/dbraw/zinc/40/72/63/436407263.db2.gz YQORJFWVNJOCFA-NVXWUHKLSA-N 2 1 317.477 3.018 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000658320356 436430259 /nfs/dbraw/zinc/43/02/59/436430259.db2.gz SVVHESUUVNLFFK-ZWKOTPCHSA-N 2 1 316.514 3.384 20 0 DGADMP CC(C)c1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000663323347 436438947 /nfs/dbraw/zinc/43/89/47/436438947.db2.gz FGMQUFDFSVEPQJ-KRWDZBQOSA-N 2 1 304.478 3.401 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344560 436442388 /nfs/dbraw/zinc/44/23/88/436442388.db2.gz AMUWMCNCWCQEIL-YJBOKZPZSA-N 2 1 304.453 3.468 20 0 DGADMP COCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346488 436443267 /nfs/dbraw/zinc/44/32/67/436443267.db2.gz RWUBQIGGIFVMMC-LJQANCHMSA-N 2 1 302.462 3.045 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663345889 436443687 /nfs/dbraw/zinc/44/36/87/436443687.db2.gz NTQIDEOCDFNUMQ-SFHVURJKSA-N 2 1 318.509 3.122 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663345889 436443689 /nfs/dbraw/zinc/44/36/89/436443689.db2.gz NTQIDEOCDFNUMQ-SFHVURJKSA-N 2 1 318.509 3.122 20 0 DGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466404 436463058 /nfs/dbraw/zinc/46/30/58/436463058.db2.gz SKPRDBGGJQPEQF-WBVHZDCISA-N 2 1 301.478 3.417 20 0 DGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466404 436463063 /nfs/dbraw/zinc/46/30/63/436463063.db2.gz SKPRDBGGJQPEQF-WBVHZDCISA-N 2 1 301.478 3.417 20 0 DGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465987 436463552 /nfs/dbraw/zinc/46/35/52/436463552.db2.gz MPSMMXCIMBIKDC-LPHOPBHVSA-N 2 1 314.473 3.481 20 0 DGADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467299 436464835 /nfs/dbraw/zinc/46/48/35/436464835.db2.gz ZZQAZBSVCUKBKA-ZWKOTPCHSA-N 2 1 306.494 3.047 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663470637 436466346 /nfs/dbraw/zinc/46/63/46/436466346.db2.gz VUTIGUQTKROJGJ-WBVHZDCISA-N 2 1 302.462 3.468 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC(F)CC1 ZINC000658288223 436418657 /nfs/dbraw/zinc/41/86/57/436418657.db2.gz BGHZABYKQUYJPD-YHOLWWCESA-N 2 1 312.473 3.136 20 0 DGADMP C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663832104 436515448 /nfs/dbraw/zinc/51/54/48/436515448.db2.gz AMBPZEGHLMLUTD-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663672147 436489337 /nfs/dbraw/zinc/48/93/37/436489337.db2.gz VROFFILNSKBKCV-MRXNPFEDSA-N 2 1 306.413 3.274 20 0 DGADMP COc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)on1 ZINC000660008115 436578989 /nfs/dbraw/zinc/57/89/89/436578989.db2.gz SJEROXZOKCCDLR-HNNXBMFYSA-N 2 1 321.465 3.160 20 0 DGADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)on1 ZINC000660008115 436578993 /nfs/dbraw/zinc/57/89/93/436578993.db2.gz SJEROXZOKCCDLR-HNNXBMFYSA-N 2 1 321.465 3.160 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000663940294 436530639 /nfs/dbraw/zinc/53/06/39/436530639.db2.gz XAIWLDMPGQBWMM-OAHLLOKOSA-N 2 1 313.367 3.331 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659847243 436541047 /nfs/dbraw/zinc/54/10/47/436541047.db2.gz LVKNGUSPENLSPM-KDURUIRLSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[NH+](C)CC1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659847243 436541049 /nfs/dbraw/zinc/54/10/49/436541049.db2.gz LVKNGUSPENLSPM-KDURUIRLSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[NH+](C)CC1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659847243 436541052 /nfs/dbraw/zinc/54/10/52/436541052.db2.gz LVKNGUSPENLSPM-KDURUIRLSA-N 2 1 323.569 3.408 20 0 DGADMP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000664015878 436545091 /nfs/dbraw/zinc/54/50/91/436545091.db2.gz LJEIZTVCRFCBMV-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP Cc1ccc([C@H]2CCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659951421 436565263 /nfs/dbraw/zinc/56/52/63/436565263.db2.gz FXOLSNQHUTYOBU-RBUKOAKNSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@H]2CCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659951421 436565265 /nfs/dbraw/zinc/56/52/65/436565265.db2.gz FXOLSNQHUTYOBU-RBUKOAKNSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951421 436565269 /nfs/dbraw/zinc/56/52/69/436565269.db2.gz FXOLSNQHUTYOBU-RBUKOAKNSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951421 436565272 /nfs/dbraw/zinc/56/52/72/436565272.db2.gz FXOLSNQHUTYOBU-RBUKOAKNSA-N 2 1 304.478 3.223 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCSc2cccc(OC)c2)CC1 ZINC000659983411 436572592 /nfs/dbraw/zinc/57/25/92/436572592.db2.gz LVMUIBAINWGWJY-UHFFFAOYSA-N 2 1 308.491 3.203 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCSc2cccc(OC)c2)CC1 ZINC000659983411 436572593 /nfs/dbraw/zinc/57/25/93/436572593.db2.gz LVMUIBAINWGWJY-UHFFFAOYSA-N 2 1 308.491 3.203 20 0 DGADMP COc1cccc(SCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659984752 436574300 /nfs/dbraw/zinc/57/43/00/436574300.db2.gz SVAZGJNVDWRHIR-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659984752 436574302 /nfs/dbraw/zinc/57/43/02/436574302.db2.gz SVAZGJNVDWRHIR-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000659984752 436574305 /nfs/dbraw/zinc/57/43/05/436574305.db2.gz SVAZGJNVDWRHIR-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000659984752 436574309 /nfs/dbraw/zinc/57/43/09/436574309.db2.gz SVAZGJNVDWRHIR-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655688225 436574553 /nfs/dbraw/zinc/57/45/53/436574553.db2.gz RCLUPNBQCKEAQV-LJQANCHMSA-N 2 1 316.489 3.197 20 0 DGADMP c1cn2c(n1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)CCC2 ZINC000655693591 436576478 /nfs/dbraw/zinc/57/64/78/436576478.db2.gz FOICZDPGMHZMQD-IBGZPJMESA-N 2 1 324.472 3.494 20 0 DGADMP COc1cccc(SCC[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000660115988 436590781 /nfs/dbraw/zinc/59/07/81/436590781.db2.gz FXCXGGKUVRNGSR-UHFFFAOYSA-N 2 1 319.474 3.314 20 0 DGADMP COc1cccc(SCC[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000660115988 436590784 /nfs/dbraw/zinc/59/07/84/436590784.db2.gz FXCXGGKUVRNGSR-UHFFFAOYSA-N 2 1 319.474 3.314 20 0 DGADMP CCc1nnc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000660120802 436592136 /nfs/dbraw/zinc/59/21/36/436592136.db2.gz IGSFOLVBLAOSBV-HNNXBMFYSA-N 2 1 319.497 3.016 20 0 DGADMP COc1ccccc1[C@H](CC(C)C)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000660199738 436604675 /nfs/dbraw/zinc/60/46/75/436604675.db2.gz CMFILKXXHXVHKM-WMZOPIPTSA-N 2 1 322.493 3.073 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256008 436615326 /nfs/dbraw/zinc/61/53/26/436615326.db2.gz HPQKXVGCLYXRKD-CVEARBPZSA-N 2 1 324.472 3.372 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256008 436615328 /nfs/dbraw/zinc/61/53/28/436615328.db2.gz HPQKXVGCLYXRKD-CVEARBPZSA-N 2 1 324.472 3.372 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000660305301 436620841 /nfs/dbraw/zinc/62/08/41/436620841.db2.gz KCUWGXLQKKDRML-NSISKUIASA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccccc1C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000284376774 302102435 /nfs/dbraw/zinc/10/24/35/302102435.db2.gz OMRWBCXHACMTFM-IBGZPJMESA-N 2 1 316.489 3.017 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1ccsc1C(F)(F)F ZINC000529567645 313229181 /nfs/dbraw/zinc/22/91/81/313229181.db2.gz MKBUDVRYYZHDIF-UHFFFAOYSA-N 2 1 303.353 3.486 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216979 313341230 /nfs/dbraw/zinc/34/12/30/313341230.db2.gz DVLPRNGKIGZBIR-KDOFPFPSSA-N 2 1 310.445 3.116 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530231720 313343701 /nfs/dbraw/zinc/34/37/01/313343701.db2.gz SZHZSUBRDPXRFN-MAUKXSAKSA-N 2 1 302.462 3.120 20 0 DGADMP C[C@H]1C[C@H](C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC000530249758 313348038 /nfs/dbraw/zinc/34/80/38/313348038.db2.gz YUAOHXJSUDAJNP-QWHCGFSZSA-N 2 1 312.379 3.452 20 0 DGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530460324 313372626 /nfs/dbraw/zinc/37/26/26/313372626.db2.gz LFMQEHDLDISPMW-GFCCVEGCSA-N 2 1 307.825 3.366 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2cc(C)ccc2C)CC1 ZINC000530666327 313394689 /nfs/dbraw/zinc/39/46/89/313394689.db2.gz IGIWXANOJYJRMR-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531726016 313485334 /nfs/dbraw/zinc/48/53/34/313485334.db2.gz ZZKZSCRRYCQKBE-QUCCMNQESA-N 3 1 321.553 3.351 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000536307357 313755982 /nfs/dbraw/zinc/75/59/82/313755982.db2.gz JCESBOGKTQSETD-MKXGPGLRSA-N 2 1 320.521 3.434 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000541915146 314048857 /nfs/dbraw/zinc/04/88/57/314048857.db2.gz ZJXDQIXCMFIYPS-WOJBJXKFSA-N 2 1 316.489 3.168 20 0 DGADMP COC(=O)c1ccccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000543206488 314121052 /nfs/dbraw/zinc/12/10/52/314121052.db2.gz OSKXEOKVUNLTOM-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000545310337 314243812 /nfs/dbraw/zinc/24/38/12/314243812.db2.gz LDTZXWYJTUGERS-LULLPPNCSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000545310337 314243815 /nfs/dbraw/zinc/24/38/15/314243815.db2.gz LDTZXWYJTUGERS-LULLPPNCSA-N 2 1 316.489 3.300 20 0 DGADMP CC[N@H+](CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000546335162 314301532 /nfs/dbraw/zinc/30/15/32/314301532.db2.gz IRILXLBVEIGMMO-HNNXBMFYSA-N 2 1 310.457 3.333 20 0 DGADMP CC[N@@H+](CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000546335162 314301535 /nfs/dbraw/zinc/30/15/35/314301535.db2.gz IRILXLBVEIGMMO-HNNXBMFYSA-N 2 1 310.457 3.333 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000546689527 314322102 /nfs/dbraw/zinc/32/21/02/314322102.db2.gz GNSBOFFXWUUCGL-KSZLIROESA-N 2 1 301.478 3.348 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503227 314374291 /nfs/dbraw/zinc/37/42/91/314374291.db2.gz JSXKDYYGNSNHKV-ONCXSQPRSA-N 2 1 318.505 3.284 20 0 DGADMP c1cc(C[NH2+]Cc2ccc3c(n2)CCC3)cc(C[NH+]2CCCC2)c1 ZINC000562685741 315043824 /nfs/dbraw/zinc/04/38/24/315043824.db2.gz AFEKZGWAMITLBR-UHFFFAOYSA-N 2 1 321.468 3.456 20 0 DGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000562988174 315068043 /nfs/dbraw/zinc/06/80/43/315068043.db2.gz MLMLHIGWCUMEHI-WSTZPKSXSA-N 2 1 318.505 3.253 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)C1 ZINC000563135763 315082659 /nfs/dbraw/zinc/08/26/59/315082659.db2.gz RPUQWKPDQQGUKZ-UZLBHIALSA-N 3 1 315.505 3.278 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c2ccccn21 ZINC000563256920 315096174 /nfs/dbraw/zinc/09/61/74/315096174.db2.gz FEDLBODVJOFKAQ-INIZCTEOSA-N 2 1 314.477 3.278 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@H+](C(C)C)C2)c2ccccn21 ZINC000563256920 315096175 /nfs/dbraw/zinc/09/61/75/315096175.db2.gz FEDLBODVJOFKAQ-INIZCTEOSA-N 2 1 314.477 3.278 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000563350834 315104566 /nfs/dbraw/zinc/10/45/66/315104566.db2.gz ZVZAMTHGNLIRNF-WBVHZDCISA-N 2 1 320.440 3.313 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC ZINC000563350406 315105044 /nfs/dbraw/zinc/10/50/44/315105044.db2.gz OIASRZXMHCZRDK-ZBFHGGJFSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC ZINC000563350406 315105046 /nfs/dbraw/zinc/10/50/46/315105046.db2.gz OIASRZXMHCZRDK-ZBFHGGJFSA-N 2 1 306.450 3.186 20 0 DGADMP CC[C@@H](C)C(=O)Nc1cccc(CNCc2cnc(C)n2C)c1 ZINC000563438465 315116018 /nfs/dbraw/zinc/11/60/18/315116018.db2.gz DLHSHWWBXRODMI-CYBMUJFWSA-N 2 1 314.433 3.003 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499660 315179434 /nfs/dbraw/zinc/17/94/34/315179434.db2.gz SMJYTMGRBWSQKB-WSTZPKSXSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499660 315179436 /nfs/dbraw/zinc/17/94/36/315179436.db2.gz SMJYTMGRBWSQKB-WSTZPKSXSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499660 315179439 /nfs/dbraw/zinc/17/94/39/315179439.db2.gz SMJYTMGRBWSQKB-WSTZPKSXSA-N 3 1 321.553 3.349 20 0 DGADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000564690521 315191988 /nfs/dbraw/zinc/19/19/88/315191988.db2.gz VWRGIUXWFBDIIG-ZACQAIPSSA-N 2 1 301.478 3.130 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000564793504 315200129 /nfs/dbraw/zinc/20/01/29/315200129.db2.gz WDNRKDSYNCNTLC-JCGIZDLHSA-N 2 1 321.896 3.194 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)C[C@@H]21 ZINC000564987654 315217383 /nfs/dbraw/zinc/21/73/83/315217383.db2.gz CBGGRJSEGYYBEE-NZSAHSFTSA-N 2 1 310.441 3.278 20 0 DGADMP Cn1c[nH+]cc1CCCN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000565161595 315236114 /nfs/dbraw/zinc/23/61/14/315236114.db2.gz GSYJRTSVZYLLHY-QGZVFWFLSA-N 2 1 319.836 3.080 20 0 DGADMP Cn1c[nH+]cc1CCCN1CCO[C@H](c2ccccc2Cl)C1 ZINC000565161594 315236223 /nfs/dbraw/zinc/23/62/23/315236223.db2.gz GSYJRTSVZYLLHY-KRWDZBQOSA-N 2 1 319.836 3.080 20 0 DGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@@H+]1C1CC1 ZINC000565982463 315301880 /nfs/dbraw/zinc/30/18/80/315301880.db2.gz BOPKYBUJBSUEGH-WCQYABFASA-N 2 1 301.821 3.347 20 0 DGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@H+]1C1CC1 ZINC000565982463 315301884 /nfs/dbraw/zinc/30/18/84/315301884.db2.gz BOPKYBUJBSUEGH-WCQYABFASA-N 2 1 301.821 3.347 20 0 DGADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000566091176 315311913 /nfs/dbraw/zinc/31/19/13/315311913.db2.gz WHGXXHRSFXMYIS-HKUYNNGSSA-N 2 1 320.440 3.188 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566111140 315313261 /nfs/dbraw/zinc/31/32/61/315313261.db2.gz YTWVZWHSYYNLKT-IHPCNDPISA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566111140 315313263 /nfs/dbraw/zinc/31/32/63/315313263.db2.gz YTWVZWHSYYNLKT-IHPCNDPISA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H](C)C[NH+]2CCCC2)c2ccccn21 ZINC000566336076 315336181 /nfs/dbraw/zinc/33/61/81/315336181.db2.gz PVBWIKXZSVWCJQ-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000568898659 315544479 /nfs/dbraw/zinc/54/44/79/315544479.db2.gz ONELJSSAOVNDKM-LPHOPBHVSA-N 2 1 313.445 3.110 20 0 DGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000571069869 315694788 /nfs/dbraw/zinc/69/47/88/315694788.db2.gz OKWQBXBRSUCTLT-JKMZYOBQSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c2ccccn21 ZINC000576046027 316088497 /nfs/dbraw/zinc/08/84/97/316088497.db2.gz ZYSNXGVYVMQPCL-DOTOQJQBSA-N 2 1 314.477 3.276 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2ccccn21 ZINC000576046027 316088502 /nfs/dbraw/zinc/08/85/02/316088502.db2.gz ZYSNXGVYVMQPCL-DOTOQJQBSA-N 2 1 314.477 3.276 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000576382143 316124152 /nfs/dbraw/zinc/12/41/52/316124152.db2.gz WHKROYAZXMCAGL-CRAIPNDOSA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000576382143 316124157 /nfs/dbraw/zinc/12/41/57/316124157.db2.gz WHKROYAZXMCAGL-CRAIPNDOSA-N 2 1 304.478 3.263 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000576405192 316127003 /nfs/dbraw/zinc/12/70/03/316127003.db2.gz OQWRRSNVTILGKF-KBXCAEBGSA-N 2 1 322.880 3.154 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000576486062 316135705 /nfs/dbraw/zinc/13/57/05/316135705.db2.gz ALFNETZZUZFPRT-MSOLQXFVSA-N 2 1 302.462 3.306 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000576626369 316150207 /nfs/dbraw/zinc/15/02/07/316150207.db2.gz AJCBOPLIARHAMK-NSHDSACASA-N 2 1 317.296 3.476 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(F)c1 ZINC000576996812 316190640 /nfs/dbraw/zinc/19/06/40/316190640.db2.gz ISCLLVAPNASUMB-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(F)c1 ZINC000576996812 316190642 /nfs/dbraw/zinc/19/06/42/316190642.db2.gz ISCLLVAPNASUMB-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267794 316219163 /nfs/dbraw/zinc/21/91/63/316219163.db2.gz GDGASVDSOQOSBY-OALUTQOASA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267794 316219166 /nfs/dbraw/zinc/21/91/66/316219166.db2.gz GDGASVDSOQOSBY-OALUTQOASA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267793 316219330 /nfs/dbraw/zinc/21/93/30/316219330.db2.gz GDGASVDSOQOSBY-MOPGFXCFSA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267793 316219334 /nfs/dbraw/zinc/21/93/34/316219334.db2.gz GDGASVDSOQOSBY-MOPGFXCFSA-N 2 1 322.456 3.108 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000577363340 316228400 /nfs/dbraw/zinc/22/84/00/316228400.db2.gz NGSMOJKUTAPVEM-NVXWUHKLSA-N 2 1 317.477 3.080 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCCC1 ZINC000577838675 316276353 /nfs/dbraw/zinc/27/63/53/316276353.db2.gz DABVSLGGZMEHRY-UHFFFAOYSA-N 2 1 312.417 3.020 20 0 DGADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000577865804 316278842 /nfs/dbraw/zinc/27/88/42/316278842.db2.gz OHINCJWTSOTNQF-UTLUCORTSA-N 2 1 307.385 3.473 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)[C@H](C)C1 ZINC000577917571 316284044 /nfs/dbraw/zinc/28/40/44/316284044.db2.gz JMUMRPGHTVAIAB-APWZRJJASA-N 2 1 316.489 3.437 20 0 DGADMP CCC[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000180248438 323224472 /nfs/dbraw/zinc/22/44/72/323224472.db2.gz SFCWEBFGQFKFJZ-LJQANCHMSA-N 2 1 318.505 3.349 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CC3 ZINC000180507274 323231357 /nfs/dbraw/zinc/23/13/57/323231357.db2.gz PBWJGPCLNGPZST-JKSUJKDBSA-N 2 1 311.473 3.265 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@@H+]1C ZINC000180892629 323240475 /nfs/dbraw/zinc/24/04/75/323240475.db2.gz QGXSRUHYMUQITL-RDJZCZTQSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@H+]1C ZINC000180892629 323240480 /nfs/dbraw/zinc/24/04/80/323240480.db2.gz QGXSRUHYMUQITL-RDJZCZTQSA-N 2 1 304.478 3.435 20 0 DGADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000181919475 323274392 /nfs/dbraw/zinc/27/43/92/323274392.db2.gz HOLGGLDHIUJDAI-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@@H]1CCCC[N@@H+]1C ZINC000181919475 323274396 /nfs/dbraw/zinc/27/43/96/323274396.db2.gz HOLGGLDHIUJDAI-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC000181919475 323274400 /nfs/dbraw/zinc/27/44/00/323274400.db2.gz HOLGGLDHIUJDAI-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C12CCC2 ZINC000182045743 323281547 /nfs/dbraw/zinc/28/15/47/323281547.db2.gz WOGKYWQOYLXCRO-OKZBNKHCSA-N 2 1 308.510 3.292 20 0 DGADMP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000388358288 323652509 /nfs/dbraw/zinc/65/25/09/323652509.db2.gz RQABUFDPHXZRRV-HNAYVOBHSA-N 2 1 302.462 3.054 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCCCCC2)C1 ZINC000580593160 324017291 /nfs/dbraw/zinc/01/72/91/324017291.db2.gz FJXRWFWYIYOORE-LJQANCHMSA-N 2 1 302.462 3.066 20 0 DGADMP Cc1ccccc1-n1nccc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000580860561 324046828 /nfs/dbraw/zinc/04/68/28/324046828.db2.gz GTPSNJRQXLRPGS-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000580860561 324046833 /nfs/dbraw/zinc/04/68/33/324046833.db2.gz GTPSNJRQXLRPGS-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000580860561 324046836 /nfs/dbraw/zinc/04/68/36/324046836.db2.gz GTPSNJRQXLRPGS-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Clc1ccsc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000580860034 324047160 /nfs/dbraw/zinc/04/71/60/324047160.db2.gz KYGMTKMUZATGDS-CYBMUJFWSA-N 2 1 314.882 3.088 20 0 DGADMP Clc1ccsc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000580860034 324047163 /nfs/dbraw/zinc/04/71/63/324047163.db2.gz KYGMTKMUZATGDS-CYBMUJFWSA-N 2 1 314.882 3.088 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000581041702 324066693 /nfs/dbraw/zinc/06/66/93/324066693.db2.gz YPRDBOGCKPJIOC-VQHPVUNQSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000581041702 324066695 /nfs/dbraw/zinc/06/66/95/324066695.db2.gz YPRDBOGCKPJIOC-VQHPVUNQSA-N 2 1 312.498 3.064 20 0 DGADMP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000581922450 324167733 /nfs/dbraw/zinc/16/77/33/324167733.db2.gz MCTBQNBQDBPTFM-HXUWFJFHSA-N 2 1 319.537 3.248 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000581951564 324172201 /nfs/dbraw/zinc/17/22/01/324172201.db2.gz GILFXPKZMARBGD-DYVFJYSZSA-N 2 1 321.852 3.372 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000582783266 324274286 /nfs/dbraw/zinc/27/42/86/324274286.db2.gz VRJZIWSPZZANAZ-SFHVURJKSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000582783266 324274290 /nfs/dbraw/zinc/27/42/90/324274290.db2.gz VRJZIWSPZZANAZ-SFHVURJKSA-N 2 1 301.409 3.428 20 0 DGADMP CCN(C)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000583003000 324301027 /nfs/dbraw/zinc/30/10/27/324301027.db2.gz JKPSQKPKAKWGBB-LJQANCHMSA-N 2 1 322.468 3.273 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000583003000 324301032 /nfs/dbraw/zinc/30/10/32/324301032.db2.gz JKPSQKPKAKWGBB-LJQANCHMSA-N 2 1 322.468 3.273 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000583003000 324301035 /nfs/dbraw/zinc/30/10/35/324301035.db2.gz JKPSQKPKAKWGBB-LJQANCHMSA-N 2 1 322.468 3.273 20 0 DGADMP COCC[N@@H+](CCCc1cncn1C)[C@@H](C)c1ccccc1 ZINC000583211696 324327224 /nfs/dbraw/zinc/32/72/24/324327224.db2.gz DDPUAMUAZGTRAX-INIZCTEOSA-N 2 1 301.434 3.062 20 0 DGADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000583211696 324327225 /nfs/dbraw/zinc/32/72/25/324327225.db2.gz DDPUAMUAZGTRAX-INIZCTEOSA-N 2 1 301.434 3.062 20 0 DGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000583211696 324327227 /nfs/dbraw/zinc/32/72/27/324327227.db2.gz DDPUAMUAZGTRAX-INIZCTEOSA-N 2 1 301.434 3.062 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000584219660 331865012 /nfs/dbraw/zinc/86/50/12/331865012.db2.gz SOIMVNDCBIUMDF-LSDHHAIUSA-N 2 1 301.459 3.417 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC[NH3+])CC1 ZINC000584622639 337375088 /nfs/dbraw/zinc/37/50/88/337375088.db2.gz PNVMAYDRFHTVJI-UHFFFAOYSA-N 3 1 317.521 3.205 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC[NH3+])CC1 ZINC000584622639 337375089 /nfs/dbraw/zinc/37/50/89/337375089.db2.gz PNVMAYDRFHTVJI-UHFFFAOYSA-N 2 1 317.521 3.205 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665341 337380150 /nfs/dbraw/zinc/38/01/50/337380150.db2.gz JAZWGVBEBUOTGG-KRFUXDQASA-N 2 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665341 337380151 /nfs/dbraw/zinc/38/01/51/337380151.db2.gz JAZWGVBEBUOTGG-KRFUXDQASA-N 3 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665341 337380152 /nfs/dbraw/zinc/38/01/52/337380152.db2.gz JAZWGVBEBUOTGG-KRFUXDQASA-N 3 1 315.505 3.003 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000415066924 533750869 /nfs/dbraw/zinc/75/08/69/533750869.db2.gz OPOUDGHZFCVEFC-CXAGYDPISA-N 2 1 308.441 3.120 20 0 DGADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000294920834 533768903 /nfs/dbraw/zinc/76/89/03/533768903.db2.gz GUZDVAHNIMPWIB-CABCVRRESA-N 2 1 308.853 3.108 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000435381201 533777417 /nfs/dbraw/zinc/77/74/17/533777417.db2.gz VIMWHZQIRCJITK-JTUUTPGSSA-N 2 1 320.452 3.228 20 0 DGADMP C[C@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430962487 533948974 /nfs/dbraw/zinc/94/89/74/533948974.db2.gz GZKUOKUHTAFEIP-XHDPSFHLSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430962487 533948983 /nfs/dbraw/zinc/94/89/83/533948983.db2.gz GZKUOKUHTAFEIP-XHDPSFHLSA-N 2 1 305.809 3.164 20 0 DGADMP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000415051050 534530144 /nfs/dbraw/zinc/53/01/44/534530144.db2.gz ZGUQECIRXJMHPV-ZDUSSCGKSA-N 2 1 320.433 3.022 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000430579828 534617333 /nfs/dbraw/zinc/61/73/33/534617333.db2.gz LAOZDOVHGKVGOZ-UHFFFAOYSA-N 2 1 323.506 3.131 20 0 DGADMP Clc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420375383 534653005 /nfs/dbraw/zinc/65/30/05/534653005.db2.gz PHIAHUUPHJVNTB-HUUCEWRRSA-N 2 1 308.853 3.183 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000443056119 534654844 /nfs/dbraw/zinc/65/48/44/534654844.db2.gz CBCICPOTBBMBTP-MRXNPFEDSA-N 2 1 311.429 3.435 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000415080725 527059643 /nfs/dbraw/zinc/05/96/43/527059643.db2.gz JNISAAKDBYBNBA-WMLDXEAASA-N 2 1 303.450 3.045 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000415080727 527059713 /nfs/dbraw/zinc/05/97/13/527059713.db2.gz JNISAAKDBYBNBA-YOEHRIQHSA-N 2 1 303.450 3.045 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000163533390 527393611 /nfs/dbraw/zinc/39/36/11/527393611.db2.gz KXYZNUZHKNXNSE-UHFFFAOYSA-N 2 1 311.429 3.467 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000163533390 527393617 /nfs/dbraw/zinc/39/36/17/527393617.db2.gz KXYZNUZHKNXNSE-UHFFFAOYSA-N 2 1 311.429 3.467 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000430554665 527942348 /nfs/dbraw/zinc/94/23/48/527942348.db2.gz HARLTGGZLCKOJU-IBGZPJMESA-N 2 1 313.445 3.131 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C12CCCCC2 ZINC000317285257 527950013 /nfs/dbraw/zinc/95/00/13/527950013.db2.gz RNVBPPFMFMTQBP-VSZNYVQBSA-N 2 1 306.494 3.331 20 0 DGADMP CCC[N@@H+](CCOc1ccc(SC)cc1)C1CC[NH2+]CC1 ZINC000431098913 528102772 /nfs/dbraw/zinc/10/27/72/528102772.db2.gz HVVFURVKRIENJH-UHFFFAOYSA-N 2 1 308.491 3.251 20 0 DGADMP CCC[N@H+](Cc1ccccc1N1CC[NH+](CC)CC1)CC1CC1 ZINC000435237186 528146778 /nfs/dbraw/zinc/14/67/78/528146778.db2.gz WSYNSGIKBDRNGM-UHFFFAOYSA-N 2 1 315.505 3.451 20 0 DGADMP CCCCC[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435681536 528181065 /nfs/dbraw/zinc/18/10/65/528181065.db2.gz KPYUAIKRPFKNJE-INIZCTEOSA-N 2 1 304.482 3.037 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(F)ncc1F ZINC000294829396 528200079 /nfs/dbraw/zinc/20/00/79/528200079.db2.gz SCYKVYLDMSLIMG-UHFFFAOYSA-N 2 1 319.399 3.491 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000435371184 528233706 /nfs/dbraw/zinc/23/37/06/528233706.db2.gz LPWIEOGETYNGNE-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000435371184 528233709 /nfs/dbraw/zinc/23/37/09/528233709.db2.gz LPWIEOGETYNGNE-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2nc3c(cccc3F)n2CC)CC1 ZINC000430592510 528290932 /nfs/dbraw/zinc/29/09/32/528290932.db2.gz QIBFESAXXVRZFD-UHFFFAOYSA-N 2 1 318.440 3.017 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000435381834 528432002 /nfs/dbraw/zinc/43/20/02/528432002.db2.gz WACSQLOIHQKWEC-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cccc1OCC ZINC000442925461 528612182 /nfs/dbraw/zinc/61/21/82/528612182.db2.gz VRHSGIYYVKZEGG-INIZCTEOSA-N 2 1 320.477 3.435 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC ZINC000442917804 528624392 /nfs/dbraw/zinc/62/43/92/528624392.db2.gz BKADGGZFPYNVJK-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435435200 528660149 /nfs/dbraw/zinc/66/01/49/528660149.db2.gz XGFMFXASRDCMJE-INIZCTEOSA-N 2 1 306.450 3.058 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430145947 528672895 /nfs/dbraw/zinc/67/28/95/528672895.db2.gz FVWSTTNETPXRIG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430145947 528672903 /nfs/dbraw/zinc/67/29/03/528672903.db2.gz FVWSTTNETPXRIG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430145947 528672907 /nfs/dbraw/zinc/67/29/07/528672907.db2.gz FVWSTTNETPXRIG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430145947 528672915 /nfs/dbraw/zinc/67/29/15/528672915.db2.gz FVWSTTNETPXRIG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415064747 528689837 /nfs/dbraw/zinc/68/98/37/528689837.db2.gz LKWHPGUCAMKXII-MRXNPFEDSA-N 2 1 306.450 3.091 20 0 DGADMP CCOC(=O)CCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441411018 528691791 /nfs/dbraw/zinc/69/17/91/528691791.db2.gz MDJKOFVLDMPERU-WMZOPIPTSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441411018 528691798 /nfs/dbraw/zinc/69/17/98/528691798.db2.gz MDJKOFVLDMPERU-WMZOPIPTSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441411018 528691802 /nfs/dbraw/zinc/69/18/02/528691802.db2.gz MDJKOFVLDMPERU-WMZOPIPTSA-N 2 1 322.493 3.059 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000430570794 528860493 /nfs/dbraw/zinc/86/04/93/528860493.db2.gz HBQXNOGBKUJAME-CQSZACIVSA-N 2 1 304.356 3.091 20 0 DGADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000433132494 528994312 /nfs/dbraw/zinc/99/43/12/528994312.db2.gz BYHYSOWNBUQRRM-QAPCUYQASA-N 2 1 317.477 3.088 20 0 DGADMP CCOCc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435390747 529033370 /nfs/dbraw/zinc/03/33/70/529033370.db2.gz QCPHDMIPVWDTIH-GOSISDBHSA-N 2 1 320.477 3.196 20 0 DGADMP CCCCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415044065 529066378 /nfs/dbraw/zinc/06/63/78/529066378.db2.gz RYYXAEGNJBAGDK-HNNXBMFYSA-N 2 1 316.445 3.244 20 0 DGADMP CCSc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432371410 529252241 /nfs/dbraw/zinc/25/22/41/529252241.db2.gz YPEXKWQDLUDWHD-INIZCTEOSA-N 2 1 322.518 3.389 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(F)c1 ZINC000297572764 529360873 /nfs/dbraw/zinc/36/08/73/529360873.db2.gz HZKMBOPPDWOMII-QGZVFWFLSA-N 2 1 306.425 3.200 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+](C)C ZINC000493917214 535147571 /nfs/dbraw/zinc/14/75/71/535147571.db2.gz PSXRSFYLNQMPCH-XMTFNYHQSA-N 2 1 308.510 3.290 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnccc2OC)CC1 ZINC000287325668 535216156 /nfs/dbraw/zinc/21/61/56/535216156.db2.gz NUYNWATXSNOAPG-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551512 535384615 /nfs/dbraw/zinc/38/46/15/535384615.db2.gz DOXYVJVBJQRHLT-UYAOXDASSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551512 535384616 /nfs/dbraw/zinc/38/46/16/535384616.db2.gz DOXYVJVBJQRHLT-UYAOXDASSA-N 2 1 318.505 3.428 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000472580685 535502414 /nfs/dbraw/zinc/50/24/14/535502414.db2.gz RTRFVIWCQMOZON-LJQANCHMSA-N 2 1 303.494 3.319 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486975687 535526536 /nfs/dbraw/zinc/52/65/36/535526536.db2.gz YOSXTIRQGPGZSU-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486975687 535526541 /nfs/dbraw/zinc/52/65/41/535526541.db2.gz YOSXTIRQGPGZSU-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP CC[N@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000469293659 535769079 /nfs/dbraw/zinc/76/90/79/535769079.db2.gz IKTSVCKUCMPZFI-OALUTQOASA-N 2 1 321.553 3.495 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CCc3ccccc32)s1 ZINC000449378976 536058050 /nfs/dbraw/zinc/05/80/50/536058050.db2.gz RXSXDTKYIZJAKW-OAHLLOKOSA-N 2 1 315.486 3.414 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490053861 536357473 /nfs/dbraw/zinc/35/74/73/536357473.db2.gz ATLYEUDOAWVPMT-OALUTQOASA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490053861 536357478 /nfs/dbraw/zinc/35/74/78/536357478.db2.gz ATLYEUDOAWVPMT-OALUTQOASA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490053861 536357481 /nfs/dbraw/zinc/35/74/81/536357481.db2.gz ATLYEUDOAWVPMT-OALUTQOASA-N 2 1 301.478 3.437 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)[C@H]1c1cccs1 ZINC000494606462 536364224 /nfs/dbraw/zinc/36/42/24/536364224.db2.gz BNWUUAPTVRUYTN-YOEHRIQHSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)[C@H]1c1cccs1 ZINC000494606462 536364226 /nfs/dbraw/zinc/36/42/26/536364226.db2.gz BNWUUAPTVRUYTN-YOEHRIQHSA-N 2 1 319.449 3.455 20 0 DGADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000089936405 545820758 /nfs/dbraw/zinc/82/07/58/545820758.db2.gz UQAQWUOCSXSDPX-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1Cl ZINC000090116745 545823192 /nfs/dbraw/zinc/82/31/92/545823192.db2.gz ZMRCYYARSXQUMF-RBSFLKMASA-N 2 1 308.853 3.324 20 0 DGADMP CCn1nccc1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000119495767 545879751 /nfs/dbraw/zinc/87/97/51/545879751.db2.gz XJWMPEXOHNGJFO-AEFFLSMTSA-N 2 1 312.461 3.046 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000120695482 545888256 /nfs/dbraw/zinc/88/82/56/545888256.db2.gz AIGLVAJJEOEFGC-IUODEOHRSA-N 2 1 305.853 3.436 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1noc(-c2ccccc2)n1 ZINC000124513628 545912704 /nfs/dbraw/zinc/91/27/04/545912704.db2.gz QYGQKXRHJJWMED-UONOGXRCSA-N 2 1 314.433 3.118 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc(OC)nc3ccccc23)CC1 ZINC000124796268 545914432 /nfs/dbraw/zinc/91/44/32/545914432.db2.gz NPCTZJNRSGUHPI-UHFFFAOYSA-N 2 1 313.445 3.207 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000137380751 545984038 /nfs/dbraw/zinc/98/40/38/545984038.db2.gz AACQZQVQOLRDKC-IBGZPJMESA-N 2 1 310.441 3.436 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000152002558 545998294 /nfs/dbraw/zinc/99/82/94/545998294.db2.gz GQCCQIFTJYXKJY-LSDHHAIUSA-N 2 1 310.388 3.313 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000152002558 545998299 /nfs/dbraw/zinc/99/82/99/545998299.db2.gz GQCCQIFTJYXKJY-LSDHHAIUSA-N 2 1 310.388 3.313 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000156873779 546036758 /nfs/dbraw/zinc/03/67/58/546036758.db2.gz CCLHZVGSQXWOST-SWLSCSKDSA-N 2 1 300.368 3.320 20 0 DGADMP CCCC(=O)Nc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166187715 546094385 /nfs/dbraw/zinc/09/43/85/546094385.db2.gz LGFROFYGGPEWAE-FUHWJXTLSA-N 2 1 315.461 3.142 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166187715 546094387 /nfs/dbraw/zinc/09/43/87/546094387.db2.gz LGFROFYGGPEWAE-FUHWJXTLSA-N 2 1 315.461 3.142 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166187715 546094391 /nfs/dbraw/zinc/09/43/91/546094391.db2.gz LGFROFYGGPEWAE-FUHWJXTLSA-N 2 1 315.461 3.142 20 0 DGADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000166465800 546096502 /nfs/dbraw/zinc/09/65/02/546096502.db2.gz LHTWHQYMEQSCJV-LSDHHAIUSA-N 2 1 319.518 3.171 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000177815668 546123992 /nfs/dbraw/zinc/12/39/92/546123992.db2.gz WNBSMAMZGDXXSS-NVXWUHKLSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000177815668 546123997 /nfs/dbraw/zinc/12/39/97/546123997.db2.gz WNBSMAMZGDXXSS-NVXWUHKLSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235485930 546278563 /nfs/dbraw/zinc/27/85/63/546278563.db2.gz SXCNHRGOQLOUHI-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500739 546397627 /nfs/dbraw/zinc/39/76/27/546397627.db2.gz CPJCBTCVECDVRK-CVEARBPZSA-N 2 1 312.461 3.492 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500739 546397631 /nfs/dbraw/zinc/39/76/31/546397631.db2.gz CPJCBTCVECDVRK-CVEARBPZSA-N 2 1 312.461 3.492 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309651569 546450772 /nfs/dbraw/zinc/45/07/72/546450772.db2.gz AGULSDGLWDGVNV-AQNXPRMDSA-N 2 1 316.489 3.303 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319326177 546464474 /nfs/dbraw/zinc/46/44/74/546464474.db2.gz OLWXYGGPAQJDJN-LJQANCHMSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000339073643 546533855 /nfs/dbraw/zinc/53/38/55/546533855.db2.gz CIVDEXRPGXAHQO-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000358919017 546707305 /nfs/dbraw/zinc/70/73/05/546707305.db2.gz XKOIWTFMGCLFRT-QGZVFWFLSA-N 2 1 318.461 3.155 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390802142 546755422 /nfs/dbraw/zinc/75/54/22/546755422.db2.gz QKIGENPCFYYFIJ-UYAOXDASSA-N 2 1 316.489 3.303 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000414181125 546781294 /nfs/dbraw/zinc/78/12/94/546781294.db2.gz LTYVNZUFRLNQRY-YDZRNGNQSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000414181125 546781296 /nfs/dbraw/zinc/78/12/96/546781296.db2.gz LTYVNZUFRLNQRY-YDZRNGNQSA-N 2 1 314.473 3.369 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304756 546784909 /nfs/dbraw/zinc/78/49/09/546784909.db2.gz CZKIHVXLAPUXSJ-XWSJACJDSA-N 2 1 304.478 3.207 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304756 546784917 /nfs/dbraw/zinc/78/49/17/546784917.db2.gz CZKIHVXLAPUXSJ-XWSJACJDSA-N 2 1 304.478 3.207 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422857452 546806905 /nfs/dbraw/zinc/80/69/05/546806905.db2.gz HPYXVUVSKPURJG-VQTJNVASSA-N 2 1 310.441 3.373 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000453221496 546857941 /nfs/dbraw/zinc/85/79/41/546857941.db2.gz KEKMPUVTAOHWSE-ZWKOTPCHSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000453221496 546857946 /nfs/dbraw/zinc/85/79/46/546857946.db2.gz KEKMPUVTAOHWSE-ZWKOTPCHSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453301493 546858569 /nfs/dbraw/zinc/85/85/69/546858569.db2.gz BPNQXEKDRWACBL-SJORKVTESA-N 2 1 315.486 3.419 20 0 DGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453301493 546858576 /nfs/dbraw/zinc/85/85/76/546858576.db2.gz BPNQXEKDRWACBL-SJORKVTESA-N 2 1 315.486 3.419 20 0 DGADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453301491 546859021 /nfs/dbraw/zinc/85/90/21/546859021.db2.gz BPNQXEKDRWACBL-IRXDYDNUSA-N 2 1 315.486 3.419 20 0 DGADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453301491 546859023 /nfs/dbraw/zinc/85/90/23/546859023.db2.gz BPNQXEKDRWACBL-IRXDYDNUSA-N 2 1 315.486 3.419 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453405498 546861715 /nfs/dbraw/zinc/86/17/15/546861715.db2.gz OUURTIWCPIZYPZ-WJFTUGDTSA-N 2 1 302.462 3.369 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453405498 546861716 /nfs/dbraw/zinc/86/17/16/546861716.db2.gz OUURTIWCPIZYPZ-WJFTUGDTSA-N 2 1 302.462 3.369 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667502228 547204613 /nfs/dbraw/zinc/20/46/13/547204613.db2.gz YKEQEWMNKUMQLA-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)n(-c2ccncc2)n1 ZINC000667507833 547205827 /nfs/dbraw/zinc/20/58/27/547205827.db2.gz KQPMMZCCYPLTFY-GOSISDBHSA-N 2 1 318.424 3.332 20 0 DGADMP c1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667507833 547205831 /nfs/dbraw/zinc/20/58/31/547205831.db2.gz KQPMMZCCYPLTFY-GOSISDBHSA-N 2 1 318.424 3.332 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667507833 547205832 /nfs/dbraw/zinc/20/58/32/547205832.db2.gz KQPMMZCCYPLTFY-GOSISDBHSA-N 2 1 318.424 3.332 20 0 DGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000667600988 547240664 /nfs/dbraw/zinc/24/06/64/547240664.db2.gz MZEQXGIAPFANPO-MRXNPFEDSA-N 2 1 322.387 3.396 20 0 DGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000667600987 547240922 /nfs/dbraw/zinc/24/09/22/547240922.db2.gz MZEQXGIAPFANPO-INIZCTEOSA-N 2 1 322.387 3.396 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681831 547273309 /nfs/dbraw/zinc/27/33/09/547273309.db2.gz SLKHZGAZHNOJOH-OAHLLOKOSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681831 547273314 /nfs/dbraw/zinc/27/33/14/547273314.db2.gz SLKHZGAZHNOJOH-OAHLLOKOSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667681831 547273320 /nfs/dbraw/zinc/27/33/20/547273320.db2.gz SLKHZGAZHNOJOH-OAHLLOKOSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667681831 547273324 /nfs/dbraw/zinc/27/33/24/547273324.db2.gz SLKHZGAZHNOJOH-OAHLLOKOSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccncc4s3)CC[C@@H]21 ZINC000667705734 547281784 /nfs/dbraw/zinc/28/17/84/547281784.db2.gz JTALMOJXFSHGPL-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccncc4s3)CC[C@@H]21 ZINC000667705734 547281786 /nfs/dbraw/zinc/28/17/86/547281786.db2.gz JTALMOJXFSHGPL-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccncc4s3)CC[C@@H]21 ZINC000667705734 547281790 /nfs/dbraw/zinc/28/17/90/547281790.db2.gz JTALMOJXFSHGPL-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[C@H]1c1cccs1 ZINC000667872634 547325541 /nfs/dbraw/zinc/32/55/41/547325541.db2.gz FYTANAWPHVKRLC-HPFXQQBRSA-N 2 1 320.502 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[C@H]1c1cccs1 ZINC000667872634 547325544 /nfs/dbraw/zinc/32/55/44/547325544.db2.gz FYTANAWPHVKRLC-HPFXQQBRSA-N 2 1 320.502 3.288 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(OC3CC3)c2F)CC1 ZINC000668027874 547363807 /nfs/dbraw/zinc/36/38/07/547363807.db2.gz SLPWGOQBHRSCQC-UHFFFAOYSA-N 2 1 318.436 3.427 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(OC3CC3)c2F)CC1 ZINC000668027874 547363810 /nfs/dbraw/zinc/36/38/10/547363810.db2.gz SLPWGOQBHRSCQC-UHFFFAOYSA-N 2 1 318.436 3.427 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000668188236 547408901 /nfs/dbraw/zinc/40/89/01/547408901.db2.gz APAUZIJSKKIMRA-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000668188236 547408909 /nfs/dbraw/zinc/40/89/09/547408909.db2.gz APAUZIJSKKIMRA-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000668188236 547408912 /nfs/dbraw/zinc/40/89/12/547408912.db2.gz APAUZIJSKKIMRA-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC(OC(C)(C)C)C1 ZINC000668245264 547427810 /nfs/dbraw/zinc/42/78/10/547427810.db2.gz YNBPXLLJEFSXMS-UHFFFAOYSA-N 2 1 314.433 3.045 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCc2ccccc21 ZINC000668287559 547436460 /nfs/dbraw/zinc/43/64/60/547436460.db2.gz GGUADHXSDTYMSL-MRXNPFEDSA-N 2 1 318.424 3.429 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000668593173 547487213 /nfs/dbraw/zinc/48/72/13/547487213.db2.gz XSKDEMJZHPNOBW-HNNXBMFYSA-N 2 1 302.397 3.147 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785711 547541559 /nfs/dbraw/zinc/54/15/59/547541559.db2.gz VNOQFYSQMZWJNR-QGZVFWFLSA-N 2 1 324.896 3.499 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785711 547541560 /nfs/dbraw/zinc/54/15/60/547541560.db2.gz VNOQFYSQMZWJNR-QGZVFWFLSA-N 2 1 324.896 3.499 20 0 DGADMP C[C@@H](C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000670266270 547741346 /nfs/dbraw/zinc/74/13/46/547741346.db2.gz SGGMGSHFBRAOLX-HOTGVXAUSA-N 2 1 323.550 3.308 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000670266227 547741382 /nfs/dbraw/zinc/74/13/82/547741382.db2.gz MLQQVJJRBOKSMU-MRXNPFEDSA-N 2 1 304.478 3.291 20 0 DGADMP CCCCOc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000671299364 547785405 /nfs/dbraw/zinc/78/54/05/547785405.db2.gz HYWMVRKYVRYYQA-OAHLLOKOSA-N 2 1 301.434 3.492 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671744190 547823374 /nfs/dbraw/zinc/82/33/74/547823374.db2.gz SBWYQMAEVGLIKS-ZDUSSCGKSA-N 2 1 317.433 3.449 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000671744545 547823587 /nfs/dbraw/zinc/82/35/87/547823587.db2.gz JFGQBVCYIUWWMG-NXHRZFHOSA-N 2 1 316.489 3.435 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671746353 547824691 /nfs/dbraw/zinc/82/46/91/547824691.db2.gz SLWUODNKUWDEPB-KGLIPLIRSA-N 2 1 317.433 3.304 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671751317 547826811 /nfs/dbraw/zinc/82/68/11/547826811.db2.gz FBBMGQRYFFXKLG-LBPRGKRZSA-N 2 1 303.406 3.057 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000671753760 547827797 /nfs/dbraw/zinc/82/77/97/547827797.db2.gz MEFAEYUKZRWBRU-UHFFFAOYSA-N 2 1 304.478 3.038 20 0 DGADMP CCc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)cc(C)[nH+]1 ZINC000672163937 547859016 /nfs/dbraw/zinc/85/90/16/547859016.db2.gz RYVCCRUIJGALBE-UHFFFAOYSA-N 2 1 316.493 3.440 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675841277 548282409 /nfs/dbraw/zinc/28/24/09/548282409.db2.gz KKQDZKSKRJCPGU-IAGOWNOFSA-N 3 1 309.542 3.207 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675841277 548282413 /nfs/dbraw/zinc/28/24/13/548282413.db2.gz KKQDZKSKRJCPGU-IAGOWNOFSA-N 3 1 309.542 3.207 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1F ZINC000675881439 548282882 /nfs/dbraw/zinc/28/28/82/548282882.db2.gz LGJLQELOMYPLCD-MAUKXSAKSA-N 2 1 320.452 3.428 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000675935071 548294688 /nfs/dbraw/zinc/29/46/88/548294688.db2.gz CAQMPOAVYIGOBK-JYBIWHBTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000675935071 548294693 /nfs/dbraw/zinc/29/46/93/548294693.db2.gz CAQMPOAVYIGOBK-JYBIWHBTSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677236913 548472908 /nfs/dbraw/zinc/47/29/08/548472908.db2.gz LGFROFYGGPEWAE-AEFFLSMTSA-N 2 1 315.461 3.142 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677236913 548472911 /nfs/dbraw/zinc/47/29/11/548472911.db2.gz LGFROFYGGPEWAE-AEFFLSMTSA-N 2 1 315.461 3.142 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncccc1C(F)(F)F ZINC000677965513 548586083 /nfs/dbraw/zinc/58/60/83/548586083.db2.gz GCJMFWCCCZKOQY-LLVKDONJSA-N 2 1 312.339 3.031 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000678262762 548659164 /nfs/dbraw/zinc/65/91/64/548659164.db2.gz WTPARFOFZPZJMK-KRWDZBQOSA-N 2 1 314.429 3.210 20 0 DGADMP CC[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000678260555 548659553 /nfs/dbraw/zinc/65/95/53/548659553.db2.gz CJGFWUFPTRVSEP-GOSISDBHSA-N 2 1 317.521 3.171 20 0 DGADMP CC[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000678260555 548659558 /nfs/dbraw/zinc/65/95/58/548659558.db2.gz CJGFWUFPTRVSEP-GOSISDBHSA-N 2 1 317.521 3.171 20 0 DGADMP CC[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000678260555 548659560 /nfs/dbraw/zinc/65/95/60/548659560.db2.gz CJGFWUFPTRVSEP-GOSISDBHSA-N 2 1 317.521 3.171 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000678266668 548662024 /nfs/dbraw/zinc/66/20/24/548662024.db2.gz FEQPVMQRGCUIRS-KDURUIRLSA-N 2 1 314.473 3.393 20 0 DGADMP C[C@@H]1COCCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000678272230 548664823 /nfs/dbraw/zinc/66/48/23/548664823.db2.gz BVKOCVGXUCOHEI-QGZVFWFLSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1COCCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000678272230 548664828 /nfs/dbraw/zinc/66/48/28/548664828.db2.gz BVKOCVGXUCOHEI-QGZVFWFLSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1COCCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000678272230 548664833 /nfs/dbraw/zinc/66/48/33/548664833.db2.gz BVKOCVGXUCOHEI-QGZVFWFLSA-N 2 1 304.478 3.255 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285540 548671913 /nfs/dbraw/zinc/67/19/13/548671913.db2.gz MCHZSTFGIZSHKE-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285540 548671918 /nfs/dbraw/zinc/67/19/18/548671918.db2.gz MCHZSTFGIZSHKE-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678285540 548671921 /nfs/dbraw/zinc/67/19/21/548671921.db2.gz MCHZSTFGIZSHKE-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678285540 548671926 /nfs/dbraw/zinc/67/19/26/548671926.db2.gz MCHZSTFGIZSHKE-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP FC(F)Oc1ccc2ccccc2c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678342740 548683033 /nfs/dbraw/zinc/68/30/33/548683033.db2.gz FYJDVFVGKLLMOI-KBPBESRZSA-N 2 1 318.367 3.092 20 0 DGADMP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678582077 548730522 /nfs/dbraw/zinc/73/05/22/548730522.db2.gz MVRSSTLUQPGBIA-MSOLQXFVSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(Cl)c1 ZINC000678593684 548735451 /nfs/dbraw/zinc/73/54/51/548735451.db2.gz KRCGOEFRMVJBTH-BMFZPTHFSA-N 2 1 308.853 3.324 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678605593 548738460 /nfs/dbraw/zinc/73/84/60/548738460.db2.gz QPUVLIGYUUVHHT-IRXDYDNUSA-N 2 1 322.880 3.498 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000678603159 548738621 /nfs/dbraw/zinc/73/86/21/548738621.db2.gz LUIJNQKGBZHLMT-VQTJNVASSA-N 2 1 316.489 3.241 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000678603160 548738631 /nfs/dbraw/zinc/73/86/31/548738631.db2.gz LUIJNQKGBZHLMT-WOJBJXKFSA-N 2 1 316.489 3.241 20 0 DGADMP C[N@@H+](CCC1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720592 548752974 /nfs/dbraw/zinc/75/29/74/548752974.db2.gz ZIXWCVFAFHQDAH-IBGZPJMESA-N 2 1 307.526 3.057 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000678773260 548761576 /nfs/dbraw/zinc/76/15/76/548761576.db2.gz HYQYDUBJGPTZDP-OALUTQOASA-N 2 1 302.462 3.371 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000678956875 548801006 /nfs/dbraw/zinc/80/10/06/548801006.db2.gz OPOUWHAYSFJJCG-HNAYVOBHSA-N 2 1 320.452 3.162 20 0 DGADMP C[C@H](CCCCO)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000679357064 548885167 /nfs/dbraw/zinc/88/51/67/548885167.db2.gz UXUBRPRGLUBDMC-WSTZPKSXSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1nccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000680067060 548992146 /nfs/dbraw/zinc/99/21/46/548992146.db2.gz AXMYPIVAGDXYOM-GUDVDZBRSA-N 2 1 322.456 3.498 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680352719 549037302 /nfs/dbraw/zinc/03/73/02/549037302.db2.gz SCEZYGGBSVMEOG-MTQWCTHYSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401058 549048298 /nfs/dbraw/zinc/04/82/98/549048298.db2.gz BZGZKWLOLSNRIC-KGLIPLIRSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401058 549048303 /nfs/dbraw/zinc/04/83/03/549048303.db2.gz BZGZKWLOLSNRIC-KGLIPLIRSA-N 2 1 307.869 3.478 20 0 DGADMP COC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000680469739 549056472 /nfs/dbraw/zinc/05/64/72/549056472.db2.gz JOOWMXVCDZSKNX-AABGDIPYSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000682380493 549312542 /nfs/dbraw/zinc/31/25/42/549312542.db2.gz MNLYBUITPDWFBP-UCHDVTTGSA-N 2 1 318.465 3.344 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000682380493 549312544 /nfs/dbraw/zinc/31/25/44/549312544.db2.gz MNLYBUITPDWFBP-UCHDVTTGSA-N 2 1 318.465 3.344 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000682380493 549312546 /nfs/dbraw/zinc/31/25/46/549312546.db2.gz MNLYBUITPDWFBP-UCHDVTTGSA-N 2 1 318.465 3.344 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2CCOc3ccccc32)CC1 ZINC000682782505 549373319 /nfs/dbraw/zinc/37/33/19/549373319.db2.gz RQXNPLDWZIPLFH-MRXNPFEDSA-N 2 1 300.446 3.113 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000684410271 549631235 /nfs/dbraw/zinc/63/12/35/549631235.db2.gz CVLSHFFDZVLMTD-QGZVFWFLSA-N 2 1 320.440 3.175 20 0 DGADMP C[N@@H+](C[C@H]1CCCC(C)(C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457330 549763622 /nfs/dbraw/zinc/76/36/22/549763622.db2.gz APHJUENKWJTMGJ-PKOBYXMFSA-N 2 1 321.553 3.303 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000685849911 549799534 /nfs/dbraw/zinc/79/95/34/549799534.db2.gz LVGAXPXEACCDLA-SFHVURJKSA-N 2 1 302.462 3.247 20 0 DGADMP CC1(C)CCc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000731676917 574556542 /nfs/dbraw/zinc/55/65/42/574556542.db2.gz FGMCOVAROLSPNU-MRXNPFEDSA-N 2 1 314.473 3.364 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000732569750 574576131 /nfs/dbraw/zinc/57/61/31/574576131.db2.gz ZVCCSXFXUSRHKK-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000733186722 574605416 /nfs/dbraw/zinc/60/54/16/574605416.db2.gz DXNWGEBUNPCTQT-INIZCTEOSA-N 2 1 317.481 3.143 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000733186722 574605417 /nfs/dbraw/zinc/60/54/17/574605417.db2.gz DXNWGEBUNPCTQT-INIZCTEOSA-N 2 1 317.481 3.143 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733186621 574605430 /nfs/dbraw/zinc/60/54/30/574605430.db2.gz BIMMUNYZVISKJX-MRXNPFEDSA-N 2 1 317.481 3.001 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733186621 574605431 /nfs/dbraw/zinc/60/54/31/574605431.db2.gz BIMMUNYZVISKJX-MRXNPFEDSA-N 2 1 317.481 3.001 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cn3ccc(-c4ccccc4)n3)C2)cn1 ZINC000738159228 574859930 /nfs/dbraw/zinc/85/99/30/574859930.db2.gz REDIFGQUOOVMDT-QGZVFWFLSA-N 2 1 307.401 3.041 20 0 DGADMP c1cn([C@@H]2CCCN(Cn3ccc(-c4ccccc4)n3)C2)cn1 ZINC000738159228 574859933 /nfs/dbraw/zinc/85/99/33/574859933.db2.gz REDIFGQUOOVMDT-QGZVFWFLSA-N 2 1 307.401 3.041 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000742385802 574995204 /nfs/dbraw/zinc/99/52/04/574995204.db2.gz VIYNRJRHXFETMK-NVXWUHKLSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000742385802 574995206 /nfs/dbraw/zinc/99/52/06/574995206.db2.gz VIYNRJRHXFETMK-NVXWUHKLSA-N 2 1 320.477 3.302 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000747532061 575523556 /nfs/dbraw/zinc/52/35/56/575523556.db2.gz HNKSTXIHWQEELY-MPGHIAIKSA-N 2 1 324.896 3.221 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000747532061 575523558 /nfs/dbraw/zinc/52/35/58/575523558.db2.gz HNKSTXIHWQEELY-MPGHIAIKSA-N 2 1 324.896 3.221 20 0 DGADMP c1nc2ccc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc2[nH]1 ZINC000751153600 575772370 /nfs/dbraw/zinc/77/23/70/575772370.db2.gz SYYICVSOHUPCME-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393661865 575913724 /nfs/dbraw/zinc/91/37/24/575913724.db2.gz RZLRTGOAJRCTAE-CEXWTWQISA-N 2 1 302.462 3.056 20 0 DGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000852745240 620645128 /nfs/dbraw/zinc/64/51/28/620645128.db2.gz RGEWARXYJLRUCR-KRWDZBQOSA-N 2 1 310.416 3.461 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000916836628 620646929 /nfs/dbraw/zinc/64/69/29/620646929.db2.gz JTWDHWILCOGIEL-UHFFFAOYSA-N 2 1 312.461 3.362 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239957 620681083 /nfs/dbraw/zinc/68/10/83/620681083.db2.gz KNQYYTLMTKCDLC-WBVHZDCISA-N 2 1 314.473 3.394 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000891744958 617888353 /nfs/dbraw/zinc/88/83/53/617888353.db2.gz BXYWIIMBOOQGGX-CABCVRRESA-N 2 1 317.315 3.212 20 0 DGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2c(n1)CCCC2 ZINC000891933874 617928787 /nfs/dbraw/zinc/92/87/87/617928787.db2.gz NIOMXUKGWOASDN-UHFFFAOYSA-N 2 1 301.478 3.042 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892122491 617968088 /nfs/dbraw/zinc/96/80/88/617968088.db2.gz WYDDGYXJOYNIRQ-INIZCTEOSA-N 2 1 301.478 3.124 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892122491 617968090 /nfs/dbraw/zinc/96/80/90/617968090.db2.gz WYDDGYXJOYNIRQ-INIZCTEOSA-N 2 1 301.478 3.124 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000892509756 618089942 /nfs/dbraw/zinc/08/99/42/618089942.db2.gz CYKCJHBAOPVFKJ-HNNXBMFYSA-N 2 1 300.450 3.211 20 0 DGADMP CC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC)n1 ZINC000924568449 618100919 /nfs/dbraw/zinc/10/09/19/618100919.db2.gz CSEUDBMIMKQNDZ-CQSZACIVSA-N 2 1 305.466 3.440 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752591 618109668 /nfs/dbraw/zinc/10/96/68/618109668.db2.gz BDOCYCDCDKDEQW-FUHWJXTLSA-N 3 1 303.494 3.131 20 0 DGADMP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752591 618109669 /nfs/dbraw/zinc/10/96/69/618109669.db2.gz BDOCYCDCDKDEQW-FUHWJXTLSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752591 618109672 /nfs/dbraw/zinc/10/96/72/618109672.db2.gz BDOCYCDCDKDEQW-FUHWJXTLSA-N 2 1 303.494 3.131 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000892585883 618112770 /nfs/dbraw/zinc/11/27/70/618112770.db2.gz YKSYRDIYMDMOPU-CQSZACIVSA-N 2 1 310.511 3.406 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000892585883 618112773 /nfs/dbraw/zinc/11/27/73/618112773.db2.gz YKSYRDIYMDMOPU-CQSZACIVSA-N 2 1 310.511 3.406 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CCCC1 ZINC000924578764 618119293 /nfs/dbraw/zinc/11/92/93/618119293.db2.gz RQPNYFAJFZJABH-WMZOPIPTSA-N 2 1 301.478 3.257 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000892621804 618120556 /nfs/dbraw/zinc/12/05/56/618120556.db2.gz FZNZUTDPRPQAEB-UHFFFAOYSA-N 2 1 301.478 3.244 20 0 DGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000892696403 618141080 /nfs/dbraw/zinc/14/10/80/618141080.db2.gz IGXTUJRIJUFCAA-UHFFFAOYSA-N 2 1 302.418 3.418 20 0 DGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)o1 ZINC000892696403 618141083 /nfs/dbraw/zinc/14/10/83/618141083.db2.gz IGXTUJRIJUFCAA-UHFFFAOYSA-N 2 1 302.418 3.418 20 0 DGADMP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC000892731853 618150630 /nfs/dbraw/zinc/15/06/30/618150630.db2.gz UKUBRENGRXCCRH-CQSZACIVSA-N 2 1 312.461 3.220 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC000892731853 618150632 /nfs/dbraw/zinc/15/06/32/618150632.db2.gz UKUBRENGRXCCRH-CQSZACIVSA-N 2 1 312.461 3.220 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H]2C(C)C)cc1F ZINC000854229337 620786492 /nfs/dbraw/zinc/78/64/92/620786492.db2.gz LOKPNTQKQNPDHQ-FZCLSBEQSA-N 2 1 320.452 3.304 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]2C(C)C)cc1F ZINC000854229339 620786673 /nfs/dbraw/zinc/78/66/73/620786673.db2.gz LOKPNTQKQNPDHQ-ONIAQPFYSA-N 2 1 320.452 3.304 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cn2c(n1)CCCC2 ZINC000924607108 618331153 /nfs/dbraw/zinc/33/11/53/618331153.db2.gz HJBZQGCSBPRMFT-OAHLLOKOSA-N 2 1 312.461 3.132 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)C2)CC1 ZINC000894478842 618350637 /nfs/dbraw/zinc/35/06/37/618350637.db2.gz DWCXYNIOHBPVOT-CQSZACIVSA-N 2 1 322.884 3.104 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(O)CCCCC2)cc1F ZINC000920425937 620799996 /nfs/dbraw/zinc/79/99/96/620799996.db2.gz UQJQTBZWULALTP-UHFFFAOYSA-N 2 1 317.408 3.105 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1cc2c(cccc2O)s1 ZINC000894776208 618448407 /nfs/dbraw/zinc/44/84/07/618448407.db2.gz DBYSYAUJTBWEFM-UHFFFAOYSA-N 2 1 301.415 3.326 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1ccccc1OCC(F)F ZINC000894776287 618450572 /nfs/dbraw/zinc/45/05/72/618450572.db2.gz GAYOMSPUMZYJEQ-UHFFFAOYSA-N 2 1 309.360 3.049 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925513297 618451298 /nfs/dbraw/zinc/45/12/98/618451298.db2.gz IOSVEHXGAKBMEV-NEWSRXKRSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925513297 618451300 /nfs/dbraw/zinc/45/13/00/618451300.db2.gz IOSVEHXGAKBMEV-NEWSRXKRSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925513297 618451301 /nfs/dbraw/zinc/45/13/01/618451301.db2.gz IOSVEHXGAKBMEV-NEWSRXKRSA-N 3 1 307.526 3.009 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894861074 618480868 /nfs/dbraw/zinc/48/08/68/618480868.db2.gz OQEVJDNVVUWVGX-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893305718 618505821 /nfs/dbraw/zinc/50/58/21/618505821.db2.gz UHKYEFAAEDHTQY-CZLXLUGWSA-N 2 1 306.425 3.117 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925615261 618509865 /nfs/dbraw/zinc/50/98/65/618509865.db2.gz FUGXNWUENXBCHC-RLLQIKCJSA-N 2 1 321.553 3.112 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925615261 618509868 /nfs/dbraw/zinc/50/98/68/618509868.db2.gz FUGXNWUENXBCHC-RLLQIKCJSA-N 3 1 321.553 3.112 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925615261 618509871 /nfs/dbraw/zinc/50/98/71/618509871.db2.gz FUGXNWUENXBCHC-RLLQIKCJSA-N 3 1 321.553 3.112 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000925616385 618510040 /nfs/dbraw/zinc/51/00/40/618510040.db2.gz RXKCHELDSKXYJB-ZHALLVOQSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925661750 618522723 /nfs/dbraw/zinc/52/27/23/618522723.db2.gz WFXNOVZQZRHYJT-CVEARBPZSA-N 2 1 307.869 3.301 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676580 618527035 /nfs/dbraw/zinc/52/70/35/618527035.db2.gz KGRVCLLZKCWWPZ-LRDDRELGSA-N 2 1 323.362 3.321 20 0 DGADMP CCCSC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000893355765 618528273 /nfs/dbraw/zinc/52/82/73/618528273.db2.gz HMLTWYXAWLYMDX-CQSZACIVSA-N 2 1 322.522 3.184 20 0 DGADMP Cc1nc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sc1C ZINC000895115628 618541727 /nfs/dbraw/zinc/54/17/27/618541727.db2.gz OSRKBMXJAASEKL-SJORKVTESA-N 2 1 315.486 3.195 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CC[C@H](c3ccccc3)C1)C2 ZINC000925752241 618595309 /nfs/dbraw/zinc/59/53/09/618595309.db2.gz UBLVLZIEPNGGGP-LSDHHAIUSA-N 2 1 313.470 3.296 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CC[C@H](c3ccccc3)C1)C2 ZINC000925752241 618595310 /nfs/dbraw/zinc/59/53/10/618595310.db2.gz UBLVLZIEPNGGGP-LSDHHAIUSA-N 2 1 313.470 3.296 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000925763806 618604159 /nfs/dbraw/zinc/60/41/59/618604159.db2.gz FBTXQOVYPNMQLH-HRCADAONSA-N 2 1 307.869 3.444 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781112 618618147 /nfs/dbraw/zinc/61/81/47/618618147.db2.gz WQXPLHUAGIOERV-WCQYABFASA-N 2 1 300.418 3.304 20 0 DGADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C2CCCCC2)no1 ZINC000893975760 618685806 /nfs/dbraw/zinc/68/58/06/618685806.db2.gz IFEAHBWQFIOZFU-CYBMUJFWSA-N 2 1 306.454 3.110 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043269 618698499 /nfs/dbraw/zinc/69/84/99/618698499.db2.gz FSSBCQDMYFRUIQ-MAUKXSAKSA-N 2 1 301.478 3.349 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043269 618698501 /nfs/dbraw/zinc/69/85/01/618698501.db2.gz FSSBCQDMYFRUIQ-MAUKXSAKSA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043269 618698502 /nfs/dbraw/zinc/69/85/02/618698502.db2.gz FSSBCQDMYFRUIQ-MAUKXSAKSA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043269 618698503 /nfs/dbraw/zinc/69/85/03/618698503.db2.gz FSSBCQDMYFRUIQ-MAUKXSAKSA-N 2 1 301.478 3.349 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894241923 618737450 /nfs/dbraw/zinc/73/74/50/618737450.db2.gz PDUJLPHDCXWZTP-MRXNPFEDSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000894260207 618743911 /nfs/dbraw/zinc/74/39/11/618743911.db2.gz LPJRCFZGCFVDQJ-QAPCUYQASA-N 2 1 302.462 3.227 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000924955053 618748765 /nfs/dbraw/zinc/74/87/65/618748765.db2.gz ZZSWCLFQEUEFRX-LRDDRELGSA-N 2 1 319.836 3.342 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)[C@@H]1c1cccs1 ZINC000894287644 618752923 /nfs/dbraw/zinc/75/29/23/618752923.db2.gz IIIKDJXRNSPDCB-FVQBIDKESA-N 2 1 308.491 3.146 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)[C@@H]1c1cccs1 ZINC000894287644 618752924 /nfs/dbraw/zinc/75/29/24/618752924.db2.gz IIIKDJXRNSPDCB-FVQBIDKESA-N 2 1 308.491 3.146 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000924971644 618753692 /nfs/dbraw/zinc/75/36/92/618753692.db2.gz YGWLRVQMCOKECK-GOSISDBHSA-N 2 1 314.473 3.217 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCN1c1cc[nH+]cc1 ZINC000895557901 618798617 /nfs/dbraw/zinc/79/86/17/618798617.db2.gz SJLZPXASVHLNDB-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP CC(C)c1ncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)s1 ZINC000895556550 618798661 /nfs/dbraw/zinc/79/86/61/618798661.db2.gz JWJLXKAAKDVONJ-CQSZACIVSA-N 2 1 316.474 3.372 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)s1 ZINC000895556550 618798665 /nfs/dbraw/zinc/79/86/65/618798665.db2.gz JWJLXKAAKDVONJ-CQSZACIVSA-N 2 1 316.474 3.372 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCN1c1cc[nH+]cc1 ZINC000895558703 618799005 /nfs/dbraw/zinc/79/90/05/618799005.db2.gz ZMEJPKUWNVMJSN-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc2c(cc[nH]c2=O)o1 ZINC000895683626 618818470 /nfs/dbraw/zinc/81/84/70/618818470.db2.gz PJRPGOXCFRPPGM-UHFFFAOYSA-N 2 1 317.433 3.231 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000897814128 619181336 /nfs/dbraw/zinc/18/13/36/619181336.db2.gz IKBWTRGBJZXABW-PLDKVOMDSA-N 2 1 309.413 3.007 20 0 DGADMP FC1(F)CC[C@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000898015184 619206152 /nfs/dbraw/zinc/20/61/52/619206152.db2.gz WDKXJLBDNJXUHA-GDBMZVCRSA-N 2 1 316.436 3.045 20 0 DGADMP C1=CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000898032562 619208072 /nfs/dbraw/zinc/20/80/72/619208072.db2.gz UIKQNKOXXRKADQ-PKOBYXMFSA-N 2 1 306.494 3.356 20 0 DGADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000898195690 619225524 /nfs/dbraw/zinc/22/55/24/619225524.db2.gz YSWWKZCPRGWXEO-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000898195690 619225526 /nfs/dbraw/zinc/22/55/26/619225526.db2.gz YSWWKZCPRGWXEO-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000898306238 619235475 /nfs/dbraw/zinc/23/54/75/619235475.db2.gz HGDGRDBWWHCNRQ-KRWDZBQOSA-N 2 1 303.494 3.033 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924683773 619257124 /nfs/dbraw/zinc/25/71/24/619257124.db2.gz BKJJASGKBCWKKU-VQIMIIECSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000924712635 619263598 /nfs/dbraw/zinc/26/35/98/619263598.db2.gz JCZADLADKUDTJX-LLVKDONJSA-N 2 1 323.238 3.090 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000898513210 619282320 /nfs/dbraw/zinc/28/23/20/619282320.db2.gz QOLREUHUTBADBY-MRXNPFEDSA-N 2 1 301.821 3.058 20 0 DGADMP CCOC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522073 619284091 /nfs/dbraw/zinc/28/40/91/619284091.db2.gz KBNKDJRSKMLLQJ-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[NH+](Cc1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1)C(C)C ZINC000900571357 619437535 /nfs/dbraw/zinc/43/75/35/619437535.db2.gz NBORWSBBOWKLPU-SFHVURJKSA-N 2 1 321.513 3.160 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000901231112 619479046 /nfs/dbraw/zinc/47/90/46/619479046.db2.gz UMDMZAJMOVVRPQ-QZTJIDSGSA-N 2 1 315.461 3.012 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC000901231113 619479069 /nfs/dbraw/zinc/47/90/69/619479069.db2.gz UMDMZAJMOVVRPQ-ROUUACIJSA-N 2 1 315.461 3.012 20 0 DGADMP [NH3+]CCCC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1F ZINC000902346721 619619857 /nfs/dbraw/zinc/61/98/57/619619857.db2.gz FWMAODRPMAWNEV-QGZVFWFLSA-N 2 1 323.362 3.459 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)N2CCCC2)o1 ZINC000902348281 619620314 /nfs/dbraw/zinc/62/03/14/619620314.db2.gz YNCUEECQHKWMLA-SJORKVTESA-N 2 1 319.493 3.093 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c(F)c1 ZINC000902452170 619639851 /nfs/dbraw/zinc/63/98/51/619639851.db2.gz JQYXZDDNRWESPJ-JDFRZJQESA-N 2 1 306.400 3.475 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCCC1 ZINC000902731540 619666997 /nfs/dbraw/zinc/66/69/97/619666997.db2.gz LHYMYBWFNPZJPO-NTZUZEMLSA-N 2 1 306.494 3.044 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754207 619670889 /nfs/dbraw/zinc/67/08/89/619670889.db2.gz YMYUFYWRNUZULG-NEPJUHHUSA-N 2 1 301.356 3.093 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754207 619670890 /nfs/dbraw/zinc/67/08/90/619670890.db2.gz YMYUFYWRNUZULG-NEPJUHHUSA-N 2 1 301.356 3.093 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793617 619677412 /nfs/dbraw/zinc/67/74/12/619677412.db2.gz LFPIGEWGQAQLOY-GFAIHXBESA-N 2 1 306.494 3.044 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793617 619677414 /nfs/dbraw/zinc/67/74/14/619677414.db2.gz LFPIGEWGQAQLOY-GFAIHXBESA-N 2 1 306.494 3.044 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799620 619678633 /nfs/dbraw/zinc/67/86/33/619678633.db2.gz GGVDDEKALUHNHY-XREYTECCSA-N 2 1 320.521 3.290 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799620 619678634 /nfs/dbraw/zinc/67/86/34/619678634.db2.gz GGVDDEKALUHNHY-XREYTECCSA-N 2 1 320.521 3.290 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3C[C@@H]4CCC[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000902833113 619681784 /nfs/dbraw/zinc/68/17/84/619681784.db2.gz WFMSLCLRQCFSAK-HOTGVXAUSA-N 2 1 314.477 3.231 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000902850491 619684215 /nfs/dbraw/zinc/68/42/15/619684215.db2.gz NODDQINYLCLEOA-OAHLLOKOSA-N 2 1 318.461 3.305 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000902850490 619684269 /nfs/dbraw/zinc/68/42/69/619684269.db2.gz NODDQINYLCLEOA-HNNXBMFYSA-N 2 1 318.461 3.305 20 0 DGADMP C[N@@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)C1CCCCC1 ZINC000903061180 619708369 /nfs/dbraw/zinc/70/83/69/619708369.db2.gz CDUBAJYQQZYXOT-XGSMCBPESA-N 2 1 319.537 3.388 20 0 DGADMP C[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCCC1 ZINC000903061180 619708372 /nfs/dbraw/zinc/70/83/72/619708372.db2.gz CDUBAJYQQZYXOT-XGSMCBPESA-N 2 1 319.537 3.388 20 0 DGADMP C[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903061180 619708374 /nfs/dbraw/zinc/70/83/74/619708374.db2.gz CDUBAJYQQZYXOT-XGSMCBPESA-N 2 1 319.537 3.388 20 0 DGADMP C[N@H+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)C1CCCCC1 ZINC000903061180 619708377 /nfs/dbraw/zinc/70/83/77/619708377.db2.gz CDUBAJYQQZYXOT-XGSMCBPESA-N 3 1 319.537 3.388 20 0 DGADMP C[N@@H+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)C1CCCCC1 ZINC000903061180 619708379 /nfs/dbraw/zinc/70/83/79/619708379.db2.gz CDUBAJYQQZYXOT-XGSMCBPESA-N 3 1 319.537 3.388 20 0 DGADMP C[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCCC1 ZINC000903061180 619708386 /nfs/dbraw/zinc/70/83/86/619708386.db2.gz CDUBAJYQQZYXOT-XGSMCBPESA-N 3 1 319.537 3.388 20 0 DGADMP C[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903061180 619708388 /nfs/dbraw/zinc/70/83/88/619708388.db2.gz CDUBAJYQQZYXOT-XGSMCBPESA-N 3 1 319.537 3.388 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2[C@H](C)CC[C@@H](C)[C@@H]2C)CC1 ZINC000903065070 619709460 /nfs/dbraw/zinc/70/94/60/619709460.db2.gz GMGCYTNQDABZSW-AKHDSKFASA-N 2 1 309.542 3.064 20 0 DGADMP CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+](C)C ZINC000903066211 619709680 /nfs/dbraw/zinc/70/96/80/619709680.db2.gz IVNQRXHFDQMSLZ-DQXYTYHJSA-N 2 1 307.526 3.100 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000903068511 619714674 /nfs/dbraw/zinc/71/46/74/619714674.db2.gz GVBKTQIDERVYSX-JVPBZIDWSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000903068511 619714676 /nfs/dbraw/zinc/71/46/76/619714676.db2.gz GVBKTQIDERVYSX-JVPBZIDWSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000903068511 619714677 /nfs/dbraw/zinc/71/46/77/619714677.db2.gz GVBKTQIDERVYSX-JVPBZIDWSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000903068511 619714678 /nfs/dbraw/zinc/71/46/78/619714678.db2.gz GVBKTQIDERVYSX-JVPBZIDWSA-N 2 1 316.445 3.027 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903073350 619715368 /nfs/dbraw/zinc/71/53/68/619715368.db2.gz ONSUSKRQWIPYIL-PYVWZIQOSA-N 2 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903073350 619715369 /nfs/dbraw/zinc/71/53/69/619715369.db2.gz ONSUSKRQWIPYIL-PYVWZIQOSA-N 3 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903073350 619715371 /nfs/dbraw/zinc/71/53/71/619715371.db2.gz ONSUSKRQWIPYIL-PYVWZIQOSA-N 3 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@@H+]1C ZINC000903098809 619715815 /nfs/dbraw/zinc/71/58/15/619715815.db2.gz AFRDKGNTVCCZPC-SIXWZSSISA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@H+]1C ZINC000903098809 619715816 /nfs/dbraw/zinc/71/58/16/619715816.db2.gz AFRDKGNTVCCZPC-SIXWZSSISA-N 2 1 320.452 3.366 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Oc1cccc(F)c1 ZINC000903104790 619717428 /nfs/dbraw/zinc/71/74/28/619717428.db2.gz YHJMSZJBZHFPCV-PNFOFYCQSA-N 2 1 318.436 3.340 20 0 DGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113343 619719707 /nfs/dbraw/zinc/71/97/07/619719707.db2.gz NFMIANXBTQVXFO-AIDGVLJZSA-N 2 1 320.502 3.308 20 0 DGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCCO1 ZINC000903127134 619722618 /nfs/dbraw/zinc/72/26/18/619722618.db2.gz WHQRQBCZEDFUCN-NXCDMZCRSA-N 2 1 306.494 3.329 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H](C)O1 ZINC000903165624 619728463 /nfs/dbraw/zinc/72/84/63/619728463.db2.gz MRZXEFQTRKJAJT-MNBSWSTFSA-N 2 1 306.494 3.328 20 0 DGADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151678 619729514 /nfs/dbraw/zinc/72/95/14/619729514.db2.gz HOVHDQBXICDDPG-MSEHENTLSA-N 2 1 306.494 3.328 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC2(CCCC2)O1 ZINC000903195836 619734065 /nfs/dbraw/zinc/73/40/65/619734065.db2.gz BCMICNGKQLSURN-NXCDMZCRSA-N 2 1 304.478 3.226 20 0 DGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000903207976 619738854 /nfs/dbraw/zinc/73/88/54/619738854.db2.gz XLRFSIOZOGHZDE-QAPCUYQASA-N 2 1 318.461 3.132 20 0 DGADMP CCOC1CCC([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903377349 619767696 /nfs/dbraw/zinc/76/76/96/619767696.db2.gz LEKRFBCIJAUPKS-ABHNRTSZSA-N 2 1 305.466 3.012 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000903441502 619775823 /nfs/dbraw/zinc/77/58/23/619775823.db2.gz VKXLQXODJHIAPD-OJAHFUOMSA-N 2 1 316.489 3.482 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000903441332 619775831 /nfs/dbraw/zinc/77/58/31/619775831.db2.gz NYGAEQBBSSMYGX-QZWWFDLISA-N 2 1 322.518 3.272 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903453761 619779262 /nfs/dbraw/zinc/77/92/62/619779262.db2.gz KUCNAXLEOPJCIG-OWSLCNJRSA-N 2 1 320.427 3.499 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000903457092 619779705 /nfs/dbraw/zinc/77/97/05/619779705.db2.gz NFSXFLRVQJQUIQ-SOUVJXGZSA-N 2 1 319.518 3.329 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000903457091 619779764 /nfs/dbraw/zinc/77/97/64/619779764.db2.gz NFSXFLRVQJQUIQ-RRFJBIMHSA-N 2 1 319.518 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000903497442 619782501 /nfs/dbraw/zinc/78/25/01/619782501.db2.gz XKMIGWTVUAIEBY-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP c1csc(C[C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000903565785 619783654 /nfs/dbraw/zinc/78/36/54/619783654.db2.gz QFYLWQVNVIZAJP-MRXNPFEDSA-N 2 1 307.507 3.177 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1Br ZINC000903717229 619803030 /nfs/dbraw/zinc/80/30/30/619803030.db2.gz KYUOOLCTUURFDE-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1Br ZINC000903717229 619803032 /nfs/dbraw/zinc/80/30/32/619803032.db2.gz KYUOOLCTUURFDE-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718672 619803128 /nfs/dbraw/zinc/80/31/28/619803128.db2.gz QNGZTDHJISPKCV-UXPWSPDFSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722275 619803560 /nfs/dbraw/zinc/80/35/60/619803560.db2.gz JZZPCVFVPFFARR-AABGKKOBSA-N 2 1 314.473 3.372 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722655 619803619 /nfs/dbraw/zinc/80/36/19/619803619.db2.gz CRFDIUJCCWPPKD-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722497 619803622 /nfs/dbraw/zinc/80/36/22/619803622.db2.gz BKSALLSSTVRMOU-IRXDYDNUSA-N 2 1 302.462 3.147 20 0 DGADMP Fc1cccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903722925 619804322 /nfs/dbraw/zinc/80/43/22/619804322.db2.gz FJSZRXZMMJDTJD-QZTJIDSGSA-N 2 1 318.436 3.121 20 0 DGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724987 619805033 /nfs/dbraw/zinc/80/50/33/619805033.db2.gz UDAJMPFWXMSRNT-UYAOXDASSA-N 2 1 310.441 3.040 20 0 DGADMP C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732606 619805858 /nfs/dbraw/zinc/80/58/58/619805858.db2.gz GTVOSARVPDDTEL-KRWDZBQOSA-N 2 1 314.429 3.023 20 0 DGADMP C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765883 619809546 /nfs/dbraw/zinc/80/95/46/619809546.db2.gz LZYZXNDOQGTWIO-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCCC2(CCCC2)CC1 ZINC000903769181 619810050 /nfs/dbraw/zinc/81/00/50/619810050.db2.gz ZGCWZLDSAMSIDK-QGZVFWFLSA-N 2 1 306.494 3.191 20 0 DGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903786661 619814001 /nfs/dbraw/zinc/81/40/01/619814001.db2.gz NNMRKOSWQLZRJY-LMCOJAPRSA-N 2 1 314.473 3.023 20 0 DGADMP CCc1ccc2ccccc2c1C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903809684 619817208 /nfs/dbraw/zinc/81/72/08/619817208.db2.gz ITNALEMFGDTEMS-UHFFFAOYSA-N 2 1 312.457 3.342 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1cc(Cl)ccc1Cl)C2 ZINC000903846308 619823079 /nfs/dbraw/zinc/82/30/79/619823079.db2.gz DFCCFKZZVLKBGA-DRZSPHRISA-N 2 1 315.244 3.184 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cc(Cl)ccc1Cl)C2 ZINC000903846308 619823082 /nfs/dbraw/zinc/82/30/82/619823082.db2.gz DFCCFKZZVLKBGA-DRZSPHRISA-N 2 1 315.244 3.184 20 0 DGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccc(F)cc2)O1 ZINC000903895200 619829785 /nfs/dbraw/zinc/82/97/85/619829785.db2.gz LJJWWMVGKYISLL-IPFFTWTJSA-N 2 1 318.436 3.118 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903895880 619830180 /nfs/dbraw/zinc/83/01/80/619830180.db2.gz RFANGGDKWOXDRK-IFFAKLHKSA-N 2 1 300.446 3.015 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000903894812 619830187 /nfs/dbraw/zinc/83/01/87/619830187.db2.gz FFMHKKCGKACQFN-PRRWFZGNSA-N 2 1 314.473 3.287 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960158 619839799 /nfs/dbraw/zinc/83/97/99/619839799.db2.gz YCEILGOOPNFBCR-VQIMIIECSA-N 2 1 300.446 3.018 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000903947023 619843594 /nfs/dbraw/zinc/84/35/94/619843594.db2.gz JMKYYQSUYNFGOJ-UHFFFAOYSA-N 2 1 324.490 3.129 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955427 619846492 /nfs/dbraw/zinc/84/64/92/619846492.db2.gz RLOQEMVZBLQGEJ-CQSZACIVSA-N 2 1 320.383 3.183 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000903955024 619846577 /nfs/dbraw/zinc/84/65/77/619846577.db2.gz YKEPGBONCXJDOJ-BPUTZDHNSA-N 2 1 307.507 3.094 20 0 DGADMP [NH3+][C@H](CC1CC1)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904081264 619872401 /nfs/dbraw/zinc/87/24/01/619872401.db2.gz BTZKUEIPKNPYOE-MRXNPFEDSA-N 2 1 312.417 3.132 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000904305360 619911422 /nfs/dbraw/zinc/91/14/22/619911422.db2.gz LSJROVCLXSWWFZ-VQIMIIECSA-N 2 1 318.461 3.230 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000904337460 619912638 /nfs/dbraw/zinc/91/26/38/619912638.db2.gz ZOLYGIZGSRDVBY-MCIONIFRSA-N 2 1 301.459 3.213 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000904327291 619913896 /nfs/dbraw/zinc/91/38/96/619913896.db2.gz BWDLLLPGXJLMRJ-LULLPPNCSA-N 2 1 302.462 3.092 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1)CC1CC1 ZINC000904343575 619915036 /nfs/dbraw/zinc/91/50/36/619915036.db2.gz VRRNXVACYLOZEG-HXUWFJFHSA-N 2 1 321.553 3.210 20 0 DGADMP C[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000904383631 619918843 /nfs/dbraw/zinc/91/88/43/619918843.db2.gz ALYPNONNAQSPGP-WCQYABFASA-N 2 1 305.422 3.338 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000904405417 619919888 /nfs/dbraw/zinc/91/98/88/619919888.db2.gz HVEWSYZFBCRHDD-JTQLQIEISA-N 2 1 304.768 3.112 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000904405580 619919903 /nfs/dbraw/zinc/91/99/03/619919903.db2.gz OKFWNKURAZRONO-QWHCGFSZSA-N 2 1 300.368 3.480 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000904411185 619920589 /nfs/dbraw/zinc/92/05/89/619920589.db2.gz JJWQZMDJQXQZGS-WBVHZDCISA-N 2 1 320.477 3.147 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC000904410123 619920752 /nfs/dbraw/zinc/92/07/52/619920752.db2.gz BCQCJDIFYIQQMT-JQWIXIFHSA-N 2 1 318.795 3.358 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)s2)cc1 ZINC000904420959 619922343 /nfs/dbraw/zinc/92/23/43/619922343.db2.gz JQPVEKLDQANMIG-JKSUJKDBSA-N 2 1 313.470 3.160 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)s2)cc1 ZINC000904420959 619922346 /nfs/dbraw/zinc/92/23/46/619922346.db2.gz JQPVEKLDQANMIG-JKSUJKDBSA-N 2 1 313.470 3.160 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000905047602 619966151 /nfs/dbraw/zinc/96/61/51/619966151.db2.gz UEYISFAUXIJUNM-IEBWSBKVSA-N 2 1 304.478 3.273 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590107 620107033 /nfs/dbraw/zinc/10/70/33/620107033.db2.gz GRFFEJWTRVDZKU-IPELMVKDSA-N 2 1 302.437 3.345 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590107 620107035 /nfs/dbraw/zinc/10/70/35/620107035.db2.gz GRFFEJWTRVDZKU-IPELMVKDSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590107 620107036 /nfs/dbraw/zinc/10/70/36/620107036.db2.gz GRFFEJWTRVDZKU-IPELMVKDSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590107 620107037 /nfs/dbraw/zinc/10/70/37/620107037.db2.gz GRFFEJWTRVDZKU-IPELMVKDSA-N 2 1 302.437 3.345 20 0 DGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000906907817 620126324 /nfs/dbraw/zinc/12/63/24/620126324.db2.gz UGPFXOXHRDXMCJ-QGZVFWFLSA-N 2 1 317.477 3.117 20 0 DGADMP CCCCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000913395825 620439911 /nfs/dbraw/zinc/43/99/11/620439911.db2.gz SVFSSADJJPLZNL-LJQANCHMSA-N 2 1 322.468 3.275 20 0 DGADMP CCCCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000913395825 620439913 /nfs/dbraw/zinc/43/99/13/620439913.db2.gz SVFSSADJJPLZNL-LJQANCHMSA-N 2 1 322.468 3.275 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc2c(c1)CCCO2 ZINC000152884197 620527302 /nfs/dbraw/zinc/52/73/02/620527302.db2.gz GMJXNVLSSCVJEA-GOSISDBHSA-N 2 1 320.477 3.021 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCCO2 ZINC000153013427 620530781 /nfs/dbraw/zinc/53/07/81/620530781.db2.gz FRGKXBSWXLJPSV-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP c1ccc(N2CCCCC2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000915228697 620575063 /nfs/dbraw/zinc/57/50/63/620575063.db2.gz TUSWDOXGSLIYEJ-QGZVFWFLSA-N 2 1 313.489 3.251 20 0 DGADMP C[C@@H](CSC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000765799976 620599017 /nfs/dbraw/zinc/59/90/17/620599017.db2.gz ADECKBMYLQJGDZ-HNNXBMFYSA-N 2 1 314.539 3.141 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000920956932 620829057 /nfs/dbraw/zinc/82/90/57/620829057.db2.gz OHEYHICNPKKQSF-UHFFFAOYSA-N 2 1 303.494 3.498 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000921619727 620916051 /nfs/dbraw/zinc/91/60/51/620916051.db2.gz OQEDMQMVRCCGEI-NZSAHSFTSA-N 2 1 308.510 3.292 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921714871 620939808 /nfs/dbraw/zinc/93/98/08/620939808.db2.gz DEDVWSSAMLVBMR-QGZVFWFLSA-N 2 1 311.429 3.305 20 0 DGADMP c1nn(C2CCC2)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000921810710 620952890 /nfs/dbraw/zinc/95/28/90/620952890.db2.gz UOPOJMJGVKQECU-UHFFFAOYSA-N 2 1 316.493 3.495 20 0 DGADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000922078882 620986119 /nfs/dbraw/zinc/98/61/19/620986119.db2.gz YLCWGLCBUFMFCS-GOSISDBHSA-N 2 1 324.472 3.220 20 0 DGADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000922078882 620986120 /nfs/dbraw/zinc/98/61/20/620986120.db2.gz YLCWGLCBUFMFCS-GOSISDBHSA-N 2 1 324.472 3.220 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(C)CC3)C2)ccn1 ZINC000856558590 621004529 /nfs/dbraw/zinc/00/45/29/621004529.db2.gz KJYBDBPENIGDGA-SFHVURJKSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3(C)CC3)C2)ccn1 ZINC000856558590 621004532 /nfs/dbraw/zinc/00/45/32/621004532.db2.gz KJYBDBPENIGDGA-SFHVURJKSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3(C)CC3)C2)ccn1 ZINC000856558590 621004534 /nfs/dbraw/zinc/00/45/34/621004534.db2.gz KJYBDBPENIGDGA-SFHVURJKSA-N 2 1 317.477 3.175 20 0 DGADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922248564 621012625 /nfs/dbraw/zinc/01/26/25/621012625.db2.gz DRKFZNMZAHGYJI-XDNAFOTISA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922248564 621012631 /nfs/dbraw/zinc/01/26/31/621012631.db2.gz DRKFZNMZAHGYJI-XDNAFOTISA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C)c3)C2)[C@@H]1C(C)C ZINC000922395541 621032893 /nfs/dbraw/zinc/03/28/93/621032893.db2.gz SVDAZZSMIGQSSY-BDXSIMOUSA-N 2 1 322.518 3.016 20 0 DGADMP FC1(F)[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000922773658 621098639 /nfs/dbraw/zinc/09/86/39/621098639.db2.gz YWTJQVQQKRONKR-YVSFHVDLSA-N 2 1 306.400 3.252 20 0 DGADMP c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000857846632 621121416 /nfs/dbraw/zinc/12/14/16/621121416.db2.gz NGXUZGWNIHJLFE-SFHVURJKSA-N 2 1 310.445 3.173 20 0 DGADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000857846632 621121419 /nfs/dbraw/zinc/12/14/19/621121419.db2.gz NGXUZGWNIHJLFE-SFHVURJKSA-N 2 1 310.445 3.173 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000858146762 621157824 /nfs/dbraw/zinc/15/78/24/621157824.db2.gz OVJUILWJCIBLCM-QZTJIDSGSA-N 2 1 315.505 3.426 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000858157114 621159644 /nfs/dbraw/zinc/15/96/44/621159644.db2.gz CZSVQXKIJNCQTP-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccccc2)O1 ZINC000923308184 621173558 /nfs/dbraw/zinc/17/35/58/621173558.db2.gz GBCNQJGLVQJAGT-AEOXZHQRSA-N 2 1 314.473 3.369 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923312972 621174185 /nfs/dbraw/zinc/17/41/85/621174185.db2.gz ACPREIHCZNSCBF-XFYFCPPXSA-N 2 1 314.473 3.405 20 0 DGADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1cc2ccccc2o1 ZINC000923309324 621175423 /nfs/dbraw/zinc/17/54/23/621175423.db2.gz UMDDFNZPZGFJLW-GDBMZVCRSA-N 2 1 314.429 3.194 20 0 DGADMP c1ccc(N2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923322586 621175869 /nfs/dbraw/zinc/17/58/69/621175869.db2.gz PSYXREZKQUYOLJ-YQQQUEKLSA-N 2 1 313.489 3.119 20 0 DGADMP CC(C)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CC[NH+](C)CC1 ZINC000923413749 621182350 /nfs/dbraw/zinc/18/23/50/621182350.db2.gz GSUXNNDTMQQLEL-IHWFROFDSA-N 3 1 321.553 3.207 20 0 DGADMP CCc1ncc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000923422859 621182706 /nfs/dbraw/zinc/18/27/06/621182706.db2.gz UDUVJKOUWFAFGU-RHSMWYFYSA-N 2 1 305.466 3.357 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000923486192 621187460 /nfs/dbraw/zinc/18/74/60/621187460.db2.gz CRLLIICQLYAYGQ-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000923480569 621187660 /nfs/dbraw/zinc/18/76/60/621187660.db2.gz AISKGHNYXXPYCI-AWEZNQCLSA-N 2 1 300.368 3.309 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496671 621187774 /nfs/dbraw/zinc/18/77/74/621187774.db2.gz CCKRJBVPQSTZJA-WCQYABFASA-N 2 1 305.447 3.128 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1C[NH3+] ZINC000923497487 621188698 /nfs/dbraw/zinc/18/86/98/621188698.db2.gz MJCKRKRTKZYPKZ-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501104 621189395 /nfs/dbraw/zinc/18/93/95/621189395.db2.gz YYXXYAFDQKBXMU-GXTWGEPZSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858492162 621197596 /nfs/dbraw/zinc/19/75/96/621197596.db2.gz UHZZIYUENDQGJM-HZPDHXFCSA-N 2 1 302.462 3.394 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000754794424 621533282 /nfs/dbraw/zinc/53/32/82/621533282.db2.gz JRWCYPSZPSLWIV-BJLQDIEVSA-N 2 1 313.489 3.180 20 0 DGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCOCC2)cc1 ZINC000754792433 621533447 /nfs/dbraw/zinc/53/34/47/621533447.db2.gz BLMYWIYLBNTRJN-ZCNNSNEGSA-N 2 1 314.473 3.371 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925666 621673242 /nfs/dbraw/zinc/67/32/42/621673242.db2.gz FTXUSEZJCCELFR-UAGQMJEPSA-N 2 1 320.502 3.312 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925666 621673244 /nfs/dbraw/zinc/67/32/44/621673244.db2.gz FTXUSEZJCCELFR-UAGQMJEPSA-N 2 1 320.502 3.312 20 0 DGADMP C[C@@H]([NH3+])C[N@H+](C)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000863652002 621693768 /nfs/dbraw/zinc/69/37/68/621693768.db2.gz OSYQAVSLZPDDAK-CYBMUJFWSA-N 2 1 304.384 3.376 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000863652002 621693770 /nfs/dbraw/zinc/69/37/70/621693770.db2.gz OSYQAVSLZPDDAK-CYBMUJFWSA-N 2 1 304.384 3.376 20 0 DGADMP C(C1CCCCC1)[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000119692918 621716879 /nfs/dbraw/zinc/71/68/79/621716879.db2.gz JNPPOMSYLOAYIQ-UHFFFAOYSA-N 2 1 319.537 3.248 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)sc2c1C[NH2+]CC2 ZINC000864050054 621732215 /nfs/dbraw/zinc/73/22/15/621732215.db2.gz SIXNABFCGKGSJZ-PBHICJAKSA-N 2 1 320.502 3.175 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000759766553 621888972 /nfs/dbraw/zinc/88/89/72/621888972.db2.gz GJOUFRYGTSDMHS-LBPRGKRZSA-N 2 1 304.265 3.351 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000759766553 621888975 /nfs/dbraw/zinc/88/89/75/621888975.db2.gz GJOUFRYGTSDMHS-LBPRGKRZSA-N 2 1 304.265 3.351 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)C(C)(C)C ZINC000865467301 621927828 /nfs/dbraw/zinc/92/78/28/621927828.db2.gz XNJLGEMAQCAPGY-ZDUSSCGKSA-N 2 1 301.837 3.330 20 0 DGADMP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000865468559 621927896 /nfs/dbraw/zinc/92/78/96/621927896.db2.gz IOWBTNQDCIXPJD-OAHLLOKOSA-N 2 1 322.880 3.239 20 0 DGADMP CC(C)(C)[N@@H+]1CCCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865480783 621931543 /nfs/dbraw/zinc/93/15/43/621931543.db2.gz QTFZMCWISJNMAV-UHFFFAOYSA-N 2 1 301.356 3.411 20 0 DGADMP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865480783 621931547 /nfs/dbraw/zinc/93/15/47/621931547.db2.gz QTFZMCWISJNMAV-UHFFFAOYSA-N 2 1 301.356 3.411 20 0 DGADMP Cc1ccc(N2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cc1 ZINC000760821747 621967122 /nfs/dbraw/zinc/96/71/22/621967122.db2.gz KFSJOTLTUMNNGK-IBGZPJMESA-N 2 1 315.505 3.382 20 0 DGADMP Cc1ccc(N2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cc1 ZINC000760821747 621967126 /nfs/dbraw/zinc/96/71/26/621967126.db2.gz KFSJOTLTUMNNGK-IBGZPJMESA-N 2 1 315.505 3.382 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000865634834 621967618 /nfs/dbraw/zinc/96/76/18/621967618.db2.gz HHZWUULPXJVGGL-INIZCTEOSA-N 2 1 319.468 3.103 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000865634834 621967622 /nfs/dbraw/zinc/96/76/22/621967622.db2.gz HHZWUULPXJVGGL-INIZCTEOSA-N 2 1 319.468 3.103 20 0 DGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865782525 621994636 /nfs/dbraw/zinc/99/46/36/621994636.db2.gz XINFLKBCABMDEX-GBJTYRQASA-N 2 1 302.384 3.348 20 0 DGADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@H]21 ZINC000866206331 622065923 /nfs/dbraw/zinc/06/59/23/622065923.db2.gz KEFUCLJOUNMDFD-BLLLJJGKSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@H]21 ZINC000866206331 622065926 /nfs/dbraw/zinc/06/59/26/622065926.db2.gz KEFUCLJOUNMDFD-BLLLJJGKSA-N 2 1 301.821 3.419 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866245282 622075164 /nfs/dbraw/zinc/07/51/64/622075164.db2.gz ZFBWIAZABQYGGO-HXUWFJFHSA-N 2 1 324.468 3.264 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000866265934 622079802 /nfs/dbraw/zinc/07/98/02/622079802.db2.gz AHBPZOBMPXGWNL-XLIONFOSSA-N 2 1 316.489 3.159 20 0 DGADMP CC[NH+]1CCC(CC[NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866273243 622082623 /nfs/dbraw/zinc/08/26/23/622082623.db2.gz HRPIODBQWHSZLN-AEFFLSMTSA-N 2 1 306.425 3.170 20 0 DGADMP F[C@H]1COc2ccccc2[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000866365001 622103753 /nfs/dbraw/zinc/10/37/53/622103753.db2.gz UMDMSMMTYRUHDE-WMZOPIPTSA-N 2 1 306.425 3.314 20 0 DGADMP C([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393976 622109902 /nfs/dbraw/zinc/10/99/02/622109902.db2.gz UKXBVUZIPSPGAS-NEWSRXKRSA-N 2 1 306.494 3.046 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000866446148 622119915 /nfs/dbraw/zinc/11/99/15/622119915.db2.gz UBIARIDEWYTSMO-QQKHYECQSA-N 2 1 323.440 3.255 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000866474626 622123719 /nfs/dbraw/zinc/12/37/19/622123719.db2.gz YGXJXABVUZRGIV-WMLDXEAASA-N 2 1 305.441 3.353 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccnn1C ZINC000866612308 622146752 /nfs/dbraw/zinc/14/67/52/622146752.db2.gz GPPSDTVDVICXIX-VYDXJSESSA-N 2 1 304.482 3.114 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000866659519 622153965 /nfs/dbraw/zinc/15/39/65/622153965.db2.gz MSHUNUGQSXOOFX-CHWSQXEVSA-N 2 1 323.868 3.035 20 0 DGADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666458 622154247 /nfs/dbraw/zinc/15/42/47/622154247.db2.gz RZYRRUBPISSBHA-NEPJUHHUSA-N 2 1 314.260 3.210 20 0 DGADMP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cnn1-c1ccccc1 ZINC000764433024 622193650 /nfs/dbraw/zinc/19/36/50/622193650.db2.gz PFDJQYPPVJKQMG-HNNXBMFYSA-N 2 1 314.477 3.419 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000765140939 622248922 /nfs/dbraw/zinc/24/89/22/622248922.db2.gz HURNKIKFGBRBNP-OAHLLOKOSA-N 2 1 323.444 3.427 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)c1 ZINC000765399125 622263008 /nfs/dbraw/zinc/26/30/08/622263008.db2.gz BAOAIQBXYUTXOS-APWZRJJASA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000765774540 622286450 /nfs/dbraw/zinc/28/64/50/622286450.db2.gz DWKXZRWEKPDDLO-RBUKOAKNSA-N 2 1 309.542 3.353 20 0 DGADMP CCN1CC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000765774540 622286453 /nfs/dbraw/zinc/28/64/53/622286453.db2.gz DWKXZRWEKPDDLO-RBUKOAKNSA-N 2 1 309.542 3.353 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000765979249 622298036 /nfs/dbraw/zinc/29/80/36/622298036.db2.gz WWTQTQRUVKJKGL-KDOFPFPSSA-N 2 1 306.425 3.120 20 0 DGADMP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765980502 622298578 /nfs/dbraw/zinc/29/85/78/622298578.db2.gz ZZKVZIRKNQRKGT-GDBMZVCRSA-N 2 1 314.539 3.140 20 0 DGADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000766272627 622316058 /nfs/dbraw/zinc/31/60/58/622316058.db2.gz ZTNKBUCSIXEIKW-HBFSDRIKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766272627 622316061 /nfs/dbraw/zinc/31/60/61/622316061.db2.gz ZTNKBUCSIXEIKW-HBFSDRIKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766272627 622316064 /nfs/dbraw/zinc/31/60/64/622316064.db2.gz ZTNKBUCSIXEIKW-HBFSDRIKSA-N 2 1 315.505 3.113 20 0 DGADMP FC(F)C1CC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000768684607 622471156 /nfs/dbraw/zinc/47/11/56/622471156.db2.gz FQTWQAFMLVCUNQ-GTPINHCMSA-N 2 1 308.416 3.184 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000768711243 622472426 /nfs/dbraw/zinc/47/24/26/622472426.db2.gz LJCZPJFSGZGONV-UHFFFAOYSA-N 2 1 318.461 3.296 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1COC2 ZINC000769500351 622534291 /nfs/dbraw/zinc/53/42/91/622534291.db2.gz XOEAHVHQQCETBT-KRWDZBQOSA-N 2 1 300.446 3.025 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1COC2 ZINC000769500351 622534294 /nfs/dbraw/zinc/53/42/94/622534294.db2.gz XOEAHVHQQCETBT-KRWDZBQOSA-N 2 1 300.446 3.025 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nc(C)[nH+]1 ZINC000871666897 622661388 /nfs/dbraw/zinc/66/13/88/622661388.db2.gz VEVUEQYEGRHKRF-DOTOQJQBSA-N 2 1 302.466 3.217 20 0 DGADMP CSc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000871784976 622697454 /nfs/dbraw/zinc/69/74/54/622697454.db2.gz CQRZQIBYHKAKDY-GOOCMWNKSA-N 2 1 319.474 3.280 20 0 DGADMP CSc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000871784976 622697457 /nfs/dbraw/zinc/69/74/57/622697457.db2.gz CQRZQIBYHKAKDY-GOOCMWNKSA-N 2 1 319.474 3.280 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000872019100 622755398 /nfs/dbraw/zinc/75/53/98/622755398.db2.gz SMNPNUZVEVCRGU-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(O)ccc1F ZINC000872021721 622756349 /nfs/dbraw/zinc/75/63/49/622756349.db2.gz SZZIIBOYYAWMJL-CYBMUJFWSA-N 2 1 302.393 3.444 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC(C)C)Cc2ccc(F)cc2)C1 ZINC000872025399 622758695 /nfs/dbraw/zinc/75/86/95/622758695.db2.gz MCFFZCCPAUWUSE-MJGOQNOKSA-N 2 1 322.468 3.093 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc3C2)CC1 ZINC000872029293 622761538 /nfs/dbraw/zinc/76/15/38/622761538.db2.gz VZGLXRDHRFRCEX-HXUWFJFHSA-N 2 1 316.489 3.025 20 0 DGADMP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000872033681 622764890 /nfs/dbraw/zinc/76/48/90/622764890.db2.gz DNIATCIRPPANJC-PKOBYXMFSA-N 2 1 322.468 3.093 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCCc3ccccc3C2)CCOCC1 ZINC000872033805 622765166 /nfs/dbraw/zinc/76/51/66/622765166.db2.gz GFVHNOJUAYMQCS-IBGZPJMESA-N 2 1 316.489 3.025 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872067384 622787820 /nfs/dbraw/zinc/78/78/20/622787820.db2.gz QISPEMUUUHTEIY-AABGKKOBSA-N 2 1 316.489 3.303 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000872141319 622831900 /nfs/dbraw/zinc/83/19/00/622831900.db2.gz FANHDJSHSXDOGC-UHFFFAOYSA-N 2 1 305.466 3.011 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872150698 622832910 /nfs/dbraw/zinc/83/29/10/622832910.db2.gz GDYMLDXNEDBYNC-NEPJUHHUSA-N 2 1 308.294 3.193 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872150698 622832915 /nfs/dbraw/zinc/83/29/15/622832915.db2.gz GDYMLDXNEDBYNC-NEPJUHHUSA-N 2 1 308.294 3.193 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000872146443 622832934 /nfs/dbraw/zinc/83/29/34/622832934.db2.gz NSFXNBRPYUAVMH-INIZCTEOSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146443 622832942 /nfs/dbraw/zinc/83/29/42/622832942.db2.gz NSFXNBRPYUAVMH-INIZCTEOSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146443 622832950 /nfs/dbraw/zinc/83/29/50/622832950.db2.gz NSFXNBRPYUAVMH-INIZCTEOSA-N 2 1 304.482 3.102 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)C[C@@H]1C(F)(F)F ZINC000872149175 622832961 /nfs/dbraw/zinc/83/29/61/622832961.db2.gz MNYONAGWACRUTR-LQJRIPTKSA-N 2 1 318.770 3.396 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@@H]1C(F)(F)F ZINC000872149175 622832969 /nfs/dbraw/zinc/83/29/69/622832969.db2.gz MNYONAGWACRUTR-LQJRIPTKSA-N 2 1 318.770 3.396 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146790 622833077 /nfs/dbraw/zinc/83/30/77/622833077.db2.gz XKLKGWHDTGMSRF-CVEARBPZSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146790 622833084 /nfs/dbraw/zinc/83/30/84/622833084.db2.gz XKLKGWHDTGMSRF-CVEARBPZSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146790 622833089 /nfs/dbraw/zinc/83/30/89/622833089.db2.gz XKLKGWHDTGMSRF-CVEARBPZSA-N 2 1 304.482 3.102 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1C(F)(F)F ZINC000872148582 622833266 /nfs/dbraw/zinc/83/32/66/622833266.db2.gz KHFZXBQKXPXEFF-JKSUJKDBSA-N 2 1 308.347 3.409 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1C(F)(F)F ZINC000872148582 622833271 /nfs/dbraw/zinc/83/32/71/622833271.db2.gz KHFZXBQKXPXEFF-JKSUJKDBSA-N 2 1 308.347 3.409 20 0 DGADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872154944 622834618 /nfs/dbraw/zinc/83/46/18/622834618.db2.gz GNRCDEOOOZSEML-OAHLLOKOSA-N 2 1 305.466 3.027 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(-c2ccc(F)cc2)no1 ZINC000872155888 622836025 /nfs/dbraw/zinc/83/60/25/622836025.db2.gz ZSHFGAGLSWIBJW-UHFFFAOYSA-N 2 1 305.397 3.432 20 0 DGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155432 622836472 /nfs/dbraw/zinc/83/64/72/622836472.db2.gz ROTQWLIPZJLWTN-ZDUSSCGKSA-N 2 1 311.857 3.118 20 0 DGADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155898 622836851 /nfs/dbraw/zinc/83/68/51/622836851.db2.gz AHNBIOUTPIDFLF-BFYDXBDKSA-N 2 1 302.466 3.157 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156426 622838538 /nfs/dbraw/zinc/83/85/38/622838538.db2.gz JNVBYLRPJQLZKM-HKUYNNGSSA-N 2 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156426 622838543 /nfs/dbraw/zinc/83/85/43/622838543.db2.gz JNVBYLRPJQLZKM-HKUYNNGSSA-N 3 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156426 622838547 /nfs/dbraw/zinc/83/85/47/622838547.db2.gz JNVBYLRPJQLZKM-HKUYNNGSSA-N 3 1 318.509 3.201 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nc(C)n1 ZINC000872157518 622839212 /nfs/dbraw/zinc/83/92/12/622839212.db2.gz PFJLFKXBKNYVOY-QFBILLFUSA-N 2 1 316.493 3.213 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281535 622880348 /nfs/dbraw/zinc/88/03/48/622880348.db2.gz UGGUQYLGQOCKEY-GOSISDBHSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281535 622880358 /nfs/dbraw/zinc/88/03/58/622880358.db2.gz UGGUQYLGQOCKEY-GOSISDBHSA-N 2 1 305.466 3.395 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872781356 622977193 /nfs/dbraw/zinc/97/71/93/622977193.db2.gz SHYNAWBGFFFRHQ-IAGOWNOFSA-N 2 1 315.392 3.055 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000872781356 622977199 /nfs/dbraw/zinc/97/71/99/622977199.db2.gz SHYNAWBGFFFRHQ-IAGOWNOFSA-N 2 1 315.392 3.055 20 0 DGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(F)cc1F ZINC000873201269 623072915 /nfs/dbraw/zinc/07/29/15/623072915.db2.gz BJFHWMRVWSBIIR-UHFFFAOYSA-N 2 1 308.397 3.304 20 0 DGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(F)cc1F ZINC000873201269 623072920 /nfs/dbraw/zinc/07/29/20/623072920.db2.gz BJFHWMRVWSBIIR-UHFFFAOYSA-N 2 1 308.397 3.304 20 0 DGADMP CC[C@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1nccs1 ZINC000873206819 623074482 /nfs/dbraw/zinc/07/44/82/623074482.db2.gz LQEAQTJWCXHXKD-HNNXBMFYSA-N 2 1 307.488 3.265 20 0 DGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211320 623075908 /nfs/dbraw/zinc/07/59/08/623075908.db2.gz YNIAGDDKINAGDM-BXKDBHETSA-N 2 1 304.381 3.167 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)ccc1OC ZINC000873222825 623080144 /nfs/dbraw/zinc/08/01/44/623080144.db2.gz COCMEUQFOGFWTL-IBGZPJMESA-N 2 1 320.477 3.291 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000873223714 623080273 /nfs/dbraw/zinc/08/02/73/623080273.db2.gz RFWFEISPPDCUIR-QGZVFWFLSA-N 2 1 318.490 3.131 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873223412 623080422 /nfs/dbraw/zinc/08/04/22/623080422.db2.gz MENUYMNELICCSQ-GOSISDBHSA-N 2 1 316.449 3.175 20 0 DGADMP COCCC1([NH2+]Cc2cnc(C3CCCC3)s2)CC[NH2+]CC1 ZINC000873224326 623081475 /nfs/dbraw/zinc/08/14/75/623081475.db2.gz BHSPWNINDQKHSM-UHFFFAOYSA-N 2 1 323.506 3.049 20 0 DGADMP CCn1c2ccccc2nc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223783 623081518 /nfs/dbraw/zinc/08/15/18/623081518.db2.gz SEDNTRMRGBWBHG-LJQANCHMSA-N 2 1 314.477 3.253 20 0 DGADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223783 623081521 /nfs/dbraw/zinc/08/15/21/623081521.db2.gz SEDNTRMRGBWBHG-LJQANCHMSA-N 2 1 314.477 3.253 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000873223785 623081552 /nfs/dbraw/zinc/08/15/52/623081552.db2.gz SEROMUNVCDJKAO-RHSMWYFYSA-N 2 1 323.506 3.192 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000873223785 623081557 /nfs/dbraw/zinc/08/15/57/623081557.db2.gz SEROMUNVCDJKAO-RHSMWYFYSA-N 2 1 323.506 3.192 20 0 DGADMP CC(C)(C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000873229133 623082845 /nfs/dbraw/zinc/08/28/45/623082845.db2.gz XVEPOHXXZAZTDG-OCCSQVGLSA-N 2 1 300.368 3.033 20 0 DGADMP C[N@H+](CCCCCC[NH3+])Cc1cc(O)ccc1Br ZINC000873231449 623083523 /nfs/dbraw/zinc/08/35/23/623083523.db2.gz JOPZLAKOBMJTEZ-UHFFFAOYSA-N 2 1 315.255 3.106 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(O)ccc1Br ZINC000873231449 623083530 /nfs/dbraw/zinc/08/35/30/623083530.db2.gz JOPZLAKOBMJTEZ-UHFFFAOYSA-N 2 1 315.255 3.106 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1c(C2CC2)nc2sccn12 ZINC000873231448 623084044 /nfs/dbraw/zinc/08/40/44/623084044.db2.gz JOFZQPPIIMKESF-UHFFFAOYSA-N 2 1 306.479 3.224 20 0 DGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000873231912 623084609 /nfs/dbraw/zinc/08/46/09/623084609.db2.gz YRSDAIVDBKECFZ-UHFFFAOYSA-N 2 1 316.449 3.036 20 0 DGADMP Cc1ccc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000774109839 623108364 /nfs/dbraw/zinc/10/83/64/623108364.db2.gz HQVBUHWAFNSNNF-AYHJJNSGSA-N 2 1 304.503 3.443 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000774528367 623156487 /nfs/dbraw/zinc/15/64/87/623156487.db2.gz CXDQDWCBCBLRRM-ZDUSSCGKSA-N 2 1 308.385 3.351 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614265 623165217 /nfs/dbraw/zinc/16/52/17/623165217.db2.gz JCRODRXTZSPADQ-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614265 623165220 /nfs/dbraw/zinc/16/52/20/623165220.db2.gz JCRODRXTZSPADQ-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614265 623165225 /nfs/dbraw/zinc/16/52/25/623165225.db2.gz JCRODRXTZSPADQ-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614265 623165229 /nfs/dbraw/zinc/16/52/29/623165229.db2.gz JCRODRXTZSPADQ-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774976200 623212709 /nfs/dbraw/zinc/21/27/09/623212709.db2.gz JYEVFLRCHMHSJD-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000775189155 623240119 /nfs/dbraw/zinc/24/01/19/623240119.db2.gz CCIABLAMIXDXFF-LLVKDONJSA-N 2 1 324.222 3.155 20 0 DGADMP Cn1ccnc1[C@@H]1CCCN(Cc2occc2Br)C1 ZINC000775189155 623240124 /nfs/dbraw/zinc/24/01/24/623240124.db2.gz CCIABLAMIXDXFF-LLVKDONJSA-N 2 1 324.222 3.155 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[NH+](C)C ZINC000775363384 623260610 /nfs/dbraw/zinc/26/06/10/623260610.db2.gz KELQQKDBEUZTDW-FXUDXRNXSA-N 2 1 316.580 3.322 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CCCCC1 ZINC000775367535 623261159 /nfs/dbraw/zinc/26/11/59/623261159.db2.gz WYJQKXQMLNESRY-ILXRZTDVSA-N 2 1 314.564 3.220 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000777602588 623547307 /nfs/dbraw/zinc/54/73/07/623547307.db2.gz SJSSHFMVURMAMK-VQIMIIECSA-N 2 1 319.493 3.302 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000876576205 623649754 /nfs/dbraw/zinc/64/97/54/623649754.db2.gz FLFQUTHYFVYZDB-UHFFFAOYSA-N 2 1 310.873 3.074 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000876576205 623649758 /nfs/dbraw/zinc/64/97/58/623649758.db2.gz FLFQUTHYFVYZDB-UHFFFAOYSA-N 2 1 310.873 3.074 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)SC)[C@H](C)C1 ZINC000877030029 623769757 /nfs/dbraw/zinc/76/97/57/623769757.db2.gz WJWGKHAMZWWVRJ-HZPDHXFCSA-N 2 1 316.555 3.245 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)SC)[C@@H](C)C1 ZINC000877030030 623769844 /nfs/dbraw/zinc/76/98/44/623769844.db2.gz WJWGKHAMZWWVRJ-JKSUJKDBSA-N 2 1 316.555 3.245 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437434 623770012 /nfs/dbraw/zinc/77/00/12/623770012.db2.gz FCJLCCZVVVDBCO-YSTOQKLRSA-N 2 1 316.489 3.179 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000877067623 623782452 /nfs/dbraw/zinc/78/24/52/623782452.db2.gz HJDLOGIIGBWXJW-YJXQGBRESA-N 2 1 316.426 3.314 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000877067623 623782456 /nfs/dbraw/zinc/78/24/56/623782456.db2.gz HJDLOGIIGBWXJW-YJXQGBRESA-N 2 1 316.426 3.314 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000877519403 623920815 /nfs/dbraw/zinc/92/08/15/623920815.db2.gz YESADZASXMUWFI-SJPCQFCGSA-N 2 1 306.425 3.281 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000877519403 623920817 /nfs/dbraw/zinc/92/08/17/623920817.db2.gz YESADZASXMUWFI-SJPCQFCGSA-N 2 1 306.425 3.281 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000877519403 623920818 /nfs/dbraw/zinc/92/08/18/623920818.db2.gz YESADZASXMUWFI-SJPCQFCGSA-N 2 1 306.425 3.281 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000877519403 623920820 /nfs/dbraw/zinc/92/08/20/623920820.db2.gz YESADZASXMUWFI-SJPCQFCGSA-N 2 1 306.425 3.281 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877523414 623923263 /nfs/dbraw/zinc/92/32/63/623923263.db2.gz JYIBNFJOHUVYRJ-UHFFFAOYSA-N 2 1 321.465 3.417 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877523414 623923267 /nfs/dbraw/zinc/92/32/67/623923267.db2.gz JYIBNFJOHUVYRJ-UHFFFAOYSA-N 2 1 321.465 3.417 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000877576291 623949836 /nfs/dbraw/zinc/94/98/36/623949836.db2.gz ISOQTIPJYKAPPP-VLIAUNLRSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000877576291 623949838 /nfs/dbraw/zinc/94/98/38/623949838.db2.gz ISOQTIPJYKAPPP-VLIAUNLRSA-N 2 1 304.415 3.173 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000877585237 623951745 /nfs/dbraw/zinc/95/17/45/623951745.db2.gz QJXFRVLZERTHGL-ROUUACIJSA-N 2 1 304.478 3.303 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000877584853 623951756 /nfs/dbraw/zinc/95/17/56/623951756.db2.gz JUGMJHYCFFHNLD-SIFCLUCFSA-N 2 1 304.415 3.031 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000877654006 623978808 /nfs/dbraw/zinc/97/88/08/623978808.db2.gz SXAFMUFESSNXMK-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP COCC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000877665375 623983753 /nfs/dbraw/zinc/98/37/53/623983753.db2.gz SSVPKDWTAAHUJX-UHFFFAOYSA-N 2 1 316.898 3.192 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744783 624017357 /nfs/dbraw/zinc/01/73/57/624017357.db2.gz XWHWMGKNVVWFDR-AZUAARDMSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744783 624017362 /nfs/dbraw/zinc/01/73/62/624017362.db2.gz XWHWMGKNVVWFDR-AZUAARDMSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744783 624017367 /nfs/dbraw/zinc/01/73/67/624017367.db2.gz XWHWMGKNVVWFDR-AZUAARDMSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744783 624017371 /nfs/dbraw/zinc/01/73/71/624017371.db2.gz XWHWMGKNVVWFDR-AZUAARDMSA-N 2 1 307.441 3.275 20 0 DGADMP CC(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1CC[NH+](C)CC1 ZINC000877767655 624028839 /nfs/dbraw/zinc/02/88/39/624028839.db2.gz RMTUKMFIZVHAQB-UHFFFAOYSA-N 2 1 306.498 3.264 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC000878157139 624193789 /nfs/dbraw/zinc/19/37/89/624193789.db2.gz VYULLRDDKMODGL-JKSUJKDBSA-N 2 1 300.437 3.476 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878157139 624193792 /nfs/dbraw/zinc/19/37/92/624193792.db2.gz VYULLRDDKMODGL-JKSUJKDBSA-N 2 1 300.437 3.476 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878157139 624193794 /nfs/dbraw/zinc/19/37/94/624193794.db2.gz VYULLRDDKMODGL-JKSUJKDBSA-N 2 1 300.437 3.476 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878166745 624197876 /nfs/dbraw/zinc/19/78/76/624197876.db2.gz DRPFLDHPKRUBPV-QXAKKESOSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878166745 624197878 /nfs/dbraw/zinc/19/78/78/624197878.db2.gz DRPFLDHPKRUBPV-QXAKKESOSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878166745 624197880 /nfs/dbraw/zinc/19/78/80/624197880.db2.gz DRPFLDHPKRUBPV-QXAKKESOSA-N 2 1 302.462 3.180 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000878337739 624248857 /nfs/dbraw/zinc/24/88/57/624248857.db2.gz PXVRREFYHABADG-IZAXUBKRSA-N 2 1 317.477 3.045 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CC[C@H](c3ccccc3)O1)CC2 ZINC000878340269 624248895 /nfs/dbraw/zinc/24/88/95/624248895.db2.gz UDIQYLYMCWRDFP-RTBURBONSA-N 2 1 314.473 3.467 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CC[C@H](c3ccccc3)O1)CC2 ZINC000878340269 624248896 /nfs/dbraw/zinc/24/88/96/624248896.db2.gz UDIQYLYMCWRDFP-RTBURBONSA-N 2 1 314.473 3.467 20 0 DGADMP CCOCOc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000782949353 624293125 /nfs/dbraw/zinc/29/31/25/624293125.db2.gz FJMSJIRERWFDNB-UHFFFAOYSA-N 2 1 306.450 3.025 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H]3C)CC2)cs1 ZINC000783242001 624329173 /nfs/dbraw/zinc/32/91/73/624329173.db2.gz YXBRGAOPCHNPNB-CJNGLKHVSA-N 2 1 307.507 3.306 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000783492378 624358543 /nfs/dbraw/zinc/35/85/43/624358543.db2.gz IVAZQNPNEDXFLK-QFBILLFUSA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000783492378 624358544 /nfs/dbraw/zinc/35/85/44/624358544.db2.gz IVAZQNPNEDXFLK-QFBILLFUSA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000783492378 624358546 /nfs/dbraw/zinc/35/85/46/624358546.db2.gz IVAZQNPNEDXFLK-QFBILLFUSA-N 2 1 320.477 3.222 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566247 624592686 /nfs/dbraw/zinc/59/26/86/624592686.db2.gz DLFOWKGSNFKTKX-AZUAARDMSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566247 624592689 /nfs/dbraw/zinc/59/26/89/624592689.db2.gz DLFOWKGSNFKTKX-AZUAARDMSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566247 624592692 /nfs/dbraw/zinc/59/26/92/624592692.db2.gz DLFOWKGSNFKTKX-AZUAARDMSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566247 624592695 /nfs/dbraw/zinc/59/26/95/624592695.db2.gz DLFOWKGSNFKTKX-AZUAARDMSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566247 624592696 /nfs/dbraw/zinc/59/26/96/624592696.db2.gz DLFOWKGSNFKTKX-AZUAARDMSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879674332 624635570 /nfs/dbraw/zinc/63/55/70/624635570.db2.gz FTSKXCSAMJRREJ-RBUKOAKNSA-N 2 1 301.478 3.257 20 0 DGADMP CC(C)C[N@@H+](CCCCCn1cccn1)CC1CC[NH+](C)CC1 ZINC000879702469 624645259 /nfs/dbraw/zinc/64/52/59/624645259.db2.gz MDDNBWYOGZEUQL-UHFFFAOYSA-N 2 1 320.525 3.353 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)CC1CC[NH+](C)CC1 ZINC000879706140 624646454 /nfs/dbraw/zinc/64/64/54/624646454.db2.gz VQHMEFCWIPLTEG-QYZOEREBSA-N 2 1 308.510 3.244 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786147606 624809407 /nfs/dbraw/zinc/80/94/07/624809407.db2.gz NYIUSMGTTJQPHC-MSOLQXFVSA-N 2 1 306.494 3.332 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000786147606 624809413 /nfs/dbraw/zinc/80/94/13/624809413.db2.gz NYIUSMGTTJQPHC-MSOLQXFVSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCN1c1cc[nH+]cc1 ZINC000880258070 624874601 /nfs/dbraw/zinc/87/46/01/624874601.db2.gz BUPDHABHYVFSNC-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](CCn3cc[nH+]c3C)C2(C)C)c1 ZINC000880285459 624888871 /nfs/dbraw/zinc/88/88/71/624888871.db2.gz SPTUQCKTRVGHGO-SFHVURJKSA-N 2 1 313.445 3.468 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2(C)C)c1 ZINC000880285459 624888879 /nfs/dbraw/zinc/88/88/79/624888879.db2.gz SPTUQCKTRVGHGO-SFHVURJKSA-N 2 1 313.445 3.468 20 0 DGADMP COc1ccc(OCCC[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880470790 624963514 /nfs/dbraw/zinc/96/35/14/624963514.db2.gz NEXISRCUQBEPSP-UHFFFAOYSA-N 2 1 318.461 3.024 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc2ccccn12 ZINC000880516874 624971253 /nfs/dbraw/zinc/97/12/53/624971253.db2.gz BMMDYUPBQNGGKE-UHFFFAOYSA-N 2 1 300.450 3.032 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574383 624980972 /nfs/dbraw/zinc/98/09/72/624980972.db2.gz LFZHVTLRLSCZCE-RBUKOAKNSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574383 624980974 /nfs/dbraw/zinc/98/09/74/624980974.db2.gz LFZHVTLRLSCZCE-RBUKOAKNSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574383 624980976 /nfs/dbraw/zinc/98/09/76/624980976.db2.gz LFZHVTLRLSCZCE-RBUKOAKNSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000787293234 624997328 /nfs/dbraw/zinc/99/73/28/624997328.db2.gz WNGOPZRTOZZUMG-HOTGVXAUSA-N 2 1 323.444 3.364 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)cc1OC ZINC000788471305 625188299 /nfs/dbraw/zinc/18/82/99/625188299.db2.gz OPUGNAAGDNMYFH-KRWDZBQOSA-N 2 1 318.461 3.183 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000788479882 625193758 /nfs/dbraw/zinc/19/37/58/625193758.db2.gz FMMPUCUOEYQPBR-KRWDZBQOSA-N 2 1 318.436 3.062 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883173324 625952425 /nfs/dbraw/zinc/95/24/25/625952425.db2.gz ILCCIYANBIXDKT-HNAYVOBHSA-N 2 1 320.452 3.225 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC(C)(C)CC[C@H]2C)CC1 ZINC000883172433 625952646 /nfs/dbraw/zinc/95/26/46/625952646.db2.gz HEBRNGHCWXTNLS-MSOLQXFVSA-N 2 1 309.542 3.209 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCc3ccccc3C2)s1 ZINC000796310994 626037541 /nfs/dbraw/zinc/03/75/41/626037541.db2.gz OKARUXCTXLERJJ-AWEZNQCLSA-N 2 1 315.486 3.099 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796418242 626048409 /nfs/dbraw/zinc/04/84/09/626048409.db2.gz NSWLUXYTDHVCJH-HXUWFJFHSA-N 2 1 318.505 3.472 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796670031 626071552 /nfs/dbraw/zinc/07/15/52/626071552.db2.gz AFLZOHXGUVRYQB-BZSNNMDCSA-N 2 1 304.503 3.382 20 0 DGADMP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000796921819 626096467 /nfs/dbraw/zinc/09/64/67/626096467.db2.gz DFBVBAKQRAERKP-NXHRZFHOSA-N 2 1 305.441 3.172 20 0 DGADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000800972007 626387187 /nfs/dbraw/zinc/38/71/87/626387187.db2.gz ZXWQZSQVAHZSRJ-RYQLBKOJSA-N 2 1 312.473 3.138 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883215638 626611394 /nfs/dbraw/zinc/61/13/94/626611394.db2.gz CINMFTKCHOGTPY-RBUKOAKNSA-N 2 1 314.473 3.066 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)F)[C@H](C)C1 ZINC000883258724 626627147 /nfs/dbraw/zinc/62/71/47/626627147.db2.gz MWYRMKHOOJZAJF-HUUCEWRRSA-N 2 1 320.468 3.394 20 0 DGADMP C[N@@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417863 626678312 /nfs/dbraw/zinc/67/83/12/626678312.db2.gz PPXORLVIELSYAY-CSODTCANSA-N 2 1 302.462 3.499 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883429992 626680649 /nfs/dbraw/zinc/68/06/49/626680649.db2.gz KRIWXMLNQBRXBH-SLFFLAALSA-N 2 1 314.473 3.372 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000883433969 626681554 /nfs/dbraw/zinc/68/15/54/626681554.db2.gz CZHGMZHSFIHVTM-QXSJWSMHSA-N 2 1 316.436 3.030 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437309 626682160 /nfs/dbraw/zinc/68/21/60/626682160.db2.gz OHVVUOAXCDFYBO-MKXGPGLRSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437309 626682161 /nfs/dbraw/zinc/68/21/61/626682161.db2.gz OHVVUOAXCDFYBO-MKXGPGLRSA-N 2 1 300.446 3.110 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000883448095 626683704 /nfs/dbraw/zinc/68/37/04/626683704.db2.gz UNKWHFTXUOTYRD-AEFFLSMTSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448095 626683705 /nfs/dbraw/zinc/68/37/05/626683705.db2.gz UNKWHFTXUOTYRD-AEFFLSMTSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448095 626683706 /nfs/dbraw/zinc/68/37/06/626683706.db2.gz UNKWHFTXUOTYRD-AEFFLSMTSA-N 2 1 324.472 3.256 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000883448097 626683769 /nfs/dbraw/zinc/68/37/69/626683769.db2.gz UNKWHFTXUOTYRD-SJLPKXTDSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448097 626683771 /nfs/dbraw/zinc/68/37/71/626683771.db2.gz UNKWHFTXUOTYRD-SJLPKXTDSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448097 626683773 /nfs/dbraw/zinc/68/37/73/626683773.db2.gz UNKWHFTXUOTYRD-SJLPKXTDSA-N 2 1 324.472 3.256 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccsc3[C@@H]2C)cc1 ZINC000883461019 626686241 /nfs/dbraw/zinc/68/62/41/626686241.db2.gz MDVBOGUJTNNXCH-BBRMVZONSA-N 2 1 316.470 3.418 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138548 626701103 /nfs/dbraw/zinc/70/11/03/626701103.db2.gz XCFNHRWFFBMIGQ-ZFWWWQNUSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138548 626701106 /nfs/dbraw/zinc/70/11/06/626701106.db2.gz XCFNHRWFFBMIGQ-ZFWWWQNUSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCC1 ZINC000806161021 626703048 /nfs/dbraw/zinc/70/30/48/626703048.db2.gz HTUKDVYAXJDWEP-CQSZACIVSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968936 626963481 /nfs/dbraw/zinc/96/34/81/626963481.db2.gz JOJAUJAKFPNTPH-PMACEKPBSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968936 626963483 /nfs/dbraw/zinc/96/34/83/626963483.db2.gz JOJAUJAKFPNTPH-PMACEKPBSA-N 2 1 316.489 3.353 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000136293264 627056536 /nfs/dbraw/zinc/05/65/36/627056536.db2.gz QKROJHQKGMCWQH-UHFFFAOYSA-N 2 1 313.232 3.415 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000136293264 627056539 /nfs/dbraw/zinc/05/65/39/627056539.db2.gz QKROJHQKGMCWQH-UHFFFAOYSA-N 2 1 313.232 3.415 20 0 DGADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1C ZINC000885923425 627060863 /nfs/dbraw/zinc/06/08/63/627060863.db2.gz ZVMPZCPXQVBPCW-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000885983342 627076376 /nfs/dbraw/zinc/07/63/76/627076376.db2.gz DLGACBUZCNLGIQ-GOSISDBHSA-N 2 1 308.510 3.388 20 0 DGADMP FC(F)(F)SCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081487 627100146 /nfs/dbraw/zinc/10/01/46/627100146.db2.gz QHQZMIHKNFYSST-DGCLKSJQSA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081487 627100147 /nfs/dbraw/zinc/10/01/47/627100147.db2.gz QHQZMIHKNFYSST-DGCLKSJQSA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081487 627100149 /nfs/dbraw/zinc/10/01/49/627100149.db2.gz QHQZMIHKNFYSST-DGCLKSJQSA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081487 627100150 /nfs/dbraw/zinc/10/01/50/627100150.db2.gz QHQZMIHKNFYSST-DGCLKSJQSA-N 2 1 308.413 3.188 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886305738 627134193 /nfs/dbraw/zinc/13/41/93/627134193.db2.gz PJMDPNZEZOGKMS-MSOLQXFVSA-N 2 1 306.494 3.284 20 0 DGADMP CC[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCC1 ZINC000886501729 627153646 /nfs/dbraw/zinc/15/36/46/627153646.db2.gz WRWIHEYEIOMUJQ-JLAWEPINSA-N 3 1 307.526 3.248 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886624834 627175681 /nfs/dbraw/zinc/17/56/81/627175681.db2.gz AWZWICSUYUHDTM-FSGKZVOOSA-N 2 1 314.473 3.197 20 0 DGADMP CCn1nccc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886639401 627177975 /nfs/dbraw/zinc/17/79/75/627177975.db2.gz CNTDLZOEPVMEIQ-BJLQDIEVSA-N 2 1 324.472 3.046 20 0 DGADMP CCn1nccc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886639401 627177980 /nfs/dbraw/zinc/17/79/80/627177980.db2.gz CNTDLZOEPVMEIQ-BJLQDIEVSA-N 2 1 324.472 3.046 20 0 DGADMP Cc1[nH]c(C2CC[NH+](Cc3cc(CO)ccc3F)CC2)[nH+]c1C ZINC000886659441 627182585 /nfs/dbraw/zinc/18/25/85/627182585.db2.gz MLRADWNJVXLUSC-UHFFFAOYSA-N 2 1 317.408 3.038 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000886718013 627197130 /nfs/dbraw/zinc/19/71/30/627197130.db2.gz ORUHCZPTNWEKEN-UHFFFAOYSA-N 2 1 301.478 3.191 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000886828079 627209848 /nfs/dbraw/zinc/20/98/48/627209848.db2.gz WXXAQZNYENXHJF-MRXNPFEDSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887034870 627218913 /nfs/dbraw/zinc/21/89/13/627218913.db2.gz AVLOOAXNYQMWSA-KRWDZBQOSA-N 2 1 305.466 3.131 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887034870 627218914 /nfs/dbraw/zinc/21/89/14/627218914.db2.gz AVLOOAXNYQMWSA-KRWDZBQOSA-N 2 1 305.466 3.131 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cccc2ncccc12 ZINC000887136410 627228310 /nfs/dbraw/zinc/22/83/10/627228310.db2.gz SQJUNTDRKDTPRB-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1cccc3ccccc31)CC2 ZINC000815078507 627623667 /nfs/dbraw/zinc/62/36/67/627623667.db2.gz BAWIJUOJSXKTBP-FQEVSTJZSA-N 2 1 324.468 3.433 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1cccc3ccccc31)CC2 ZINC000815078507 627623669 /nfs/dbraw/zinc/62/36/69/627623669.db2.gz BAWIJUOJSXKTBP-FQEVSTJZSA-N 2 1 324.468 3.433 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000924604869 627656136 /nfs/dbraw/zinc/65/61/36/627656136.db2.gz BIIKUUHUGJBHJY-UHFFFAOYSA-N 3 1 317.521 3.348 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cn2c(n1)CCCC2 ZINC000924607107 627656566 /nfs/dbraw/zinc/65/65/66/627656566.db2.gz HJBZQGCSBPRMFT-HNNXBMFYSA-N 2 1 312.461 3.132 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924629578 627659982 /nfs/dbraw/zinc/65/99/82/627659982.db2.gz VCLYHZOYPWENRI-HNNXBMFYSA-N 2 1 304.482 3.379 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000924684830 627667488 /nfs/dbraw/zinc/66/74/88/627667488.db2.gz GGMLNJVSZHXKKD-JKSUJKDBSA-N 2 1 305.466 3.395 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924697030 627669231 /nfs/dbraw/zinc/66/92/31/627669231.db2.gz XYGMNCABTLGGEM-OALUTQOASA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccnn1CC1CCC1)C[NH+]1CCCC1 ZINC000924715197 627672183 /nfs/dbraw/zinc/67/21/83/627672183.db2.gz KSRYRQFUUKOVEF-HOTGVXAUSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924753980 627676358 /nfs/dbraw/zinc/67/63/58/627676358.db2.gz RMRHPRKTPKPWBJ-LYGPFTKASA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924753980 627676361 /nfs/dbraw/zinc/67/63/61/627676361.db2.gz RMRHPRKTPKPWBJ-LYGPFTKASA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924856003 627687679 /nfs/dbraw/zinc/68/76/79/627687679.db2.gz ZWYRTVHWNPXPMD-SJLPKXTDSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924856003 627687683 /nfs/dbraw/zinc/68/76/83/627687683.db2.gz ZWYRTVHWNPXPMD-SJLPKXTDSA-N 2 1 310.445 3.039 20 0 DGADMP CC[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000925080127 627706700 /nfs/dbraw/zinc/70/67/00/627706700.db2.gz QZGNZXNASLOKPA-FRQCXROJSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000925499882 627743150 /nfs/dbraw/zinc/74/31/50/627743150.db2.gz BGBVCCKXWRPASB-RHSMWYFYSA-N 2 1 322.880 3.118 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cccs1 ZINC000925506465 627743655 /nfs/dbraw/zinc/74/36/55/627743655.db2.gz RKYPJXUXIJRCFI-BRWVUGGUSA-N 2 1 321.534 3.109 20 0 DGADMP FC(F)Oc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925515915 627745528 /nfs/dbraw/zinc/74/55/28/627745528.db2.gz SZHBODWNUPKFAK-OAHLLOKOSA-N 2 1 310.388 3.095 20 0 DGADMP CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514506 627745803 /nfs/dbraw/zinc/74/58/03/627745803.db2.gz PNFXCEWMZGAERP-JTDSTZFVSA-N 2 1 303.494 3.128 20 0 DGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514506 627745806 /nfs/dbraw/zinc/74/58/06/627745806.db2.gz PNFXCEWMZGAERP-JTDSTZFVSA-N 2 1 303.494 3.128 20 0 DGADMP Clc1ccc2c(CC[NH2+][C@H]3CC[NH2+]C34CCC4)c[nH]c2c1 ZINC000925519072 627746024 /nfs/dbraw/zinc/74/60/24/627746024.db2.gz GXAWIGMSDNRSTA-INIZCTEOSA-N 2 1 303.837 3.238 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925529193 627748272 /nfs/dbraw/zinc/74/82/72/627748272.db2.gz ZPJLRMTWWXDCKP-OTWHNJEPSA-N 2 1 314.473 3.337 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925529194 627748360 /nfs/dbraw/zinc/74/83/60/627748360.db2.gz ZPJLRMTWWXDCKP-QRVBRYPASA-N 2 1 314.473 3.337 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925533738 627749245 /nfs/dbraw/zinc/74/92/45/627749245.db2.gz OYQVCAHKNIXXJG-VQTJNVASSA-N 2 1 324.472 3.130 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925533739 627749318 /nfs/dbraw/zinc/74/93/18/627749318.db2.gz OYQVCAHKNIXXJG-WOJBJXKFSA-N 2 1 324.472 3.130 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925540322 627750668 /nfs/dbraw/zinc/75/06/68/627750668.db2.gz OOMILPFMSWDLME-RHSMWYFYSA-N 2 1 305.466 3.057 20 0 DGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925549596 627752617 /nfs/dbraw/zinc/75/26/17/627752617.db2.gz WSHHTADQELRBJW-FZCLSBEQSA-N 2 1 300.446 3.185 20 0 DGADMP C[C@@H]([NH3+])[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551588 627752962 /nfs/dbraw/zinc/75/29/62/627752962.db2.gz BWKKHELANWMHJK-ZHALLVOQSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H](N)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551588 627752964 /nfs/dbraw/zinc/75/29/64/627752964.db2.gz BWKKHELANWMHJK-ZHALLVOQSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H](N)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551588 627752966 /nfs/dbraw/zinc/75/29/66/627752966.db2.gz BWKKHELANWMHJK-ZHALLVOQSA-N 2 1 303.494 3.177 20 0 DGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925549604 627752975 /nfs/dbraw/zinc/75/29/75/627752975.db2.gz WSHHTADQELRBJW-MXSMSXNCSA-N 2 1 300.446 3.185 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(F)c1 ZINC000925580343 627758080 /nfs/dbraw/zinc/75/80/80/627758080.db2.gz LOBDNKQQAKDHOI-FUHWJXTLSA-N 2 1 306.425 3.092 20 0 DGADMP CC(C)(CO)[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925608375 627762046 /nfs/dbraw/zinc/76/20/46/627762046.db2.gz WWZAVPAMBRMKJW-ROUUACIJSA-N 2 1 316.489 3.053 20 0 DGADMP CC(C)(CO)[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925608376 627762246 /nfs/dbraw/zinc/76/22/46/627762246.db2.gz WWZAVPAMBRMKJW-ZWKOTPCHSA-N 2 1 316.489 3.053 20 0 DGADMP CN(C)CC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925638297 627767084 /nfs/dbraw/zinc/76/70/84/627767084.db2.gz AIIKQIKMAKMBSS-GOSISDBHSA-N 2 1 303.494 3.178 20 0 DGADMP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717299 627780427 /nfs/dbraw/zinc/78/04/27/627780427.db2.gz SHHOGOKOBYZMKI-QUCCMNQESA-N 3 1 315.505 3.178 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000925736546 627785273 /nfs/dbraw/zinc/78/52/73/627785273.db2.gz BGWMUCKCVJOANO-IPMKNSEASA-N 2 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000925736546 627785274 /nfs/dbraw/zinc/78/52/74/627785274.db2.gz BGWMUCKCVJOANO-IPMKNSEASA-N 3 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000925736546 627785277 /nfs/dbraw/zinc/78/52/77/627785277.db2.gz BGWMUCKCVJOANO-IPMKNSEASA-N 3 1 315.505 3.147 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c(Br)c1 ZINC000925741742 627786036 /nfs/dbraw/zinc/78/60/36/627786036.db2.gz MAKYARGCCFOZMC-SNVBAGLBSA-N 2 1 315.255 3.236 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCCCC13CCCC3)C2 ZINC000925749630 627786892 /nfs/dbraw/zinc/78/68/92/627786892.db2.gz KLKBHOBXWWCTPA-OAHLLOKOSA-N 2 1 305.491 3.463 20 0 DGADMP Fc1cc(F)cc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000925759428 627789729 /nfs/dbraw/zinc/78/97/29/627789729.db2.gz OIWMJLIDJHNGHT-FIXISWKDSA-N 2 1 316.342 3.034 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cc(N)ccn2)CC1 ZINC000925767780 627791323 /nfs/dbraw/zinc/79/13/23/627791323.db2.gz PVUIBVVIBRQRFL-UHFFFAOYSA-N 2 1 324.472 3.197 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925780558 627794272 /nfs/dbraw/zinc/79/42/72/627794272.db2.gz TUCHSOLQNQBDJA-CMPLNLGQSA-N 2 1 320.330 3.183 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000925784507 627794518 /nfs/dbraw/zinc/79/45/18/627794518.db2.gz RJPAKMLJFULNTH-GDBSJFFISA-N 2 1 316.489 3.138 20 0 DGADMP C1C[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2(C1)CCCCC2 ZINC000925799311 627797191 /nfs/dbraw/zinc/79/71/91/627797191.db2.gz SKLLTJPWSAXHST-IAGOWNOFSA-N 2 1 306.494 3.238 20 0 DGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806495 627798489 /nfs/dbraw/zinc/79/84/89/627798489.db2.gz DYTQQJRDFCLUFE-XLIONFOSSA-N 2 1 317.521 3.095 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000925806583 627798497 /nfs/dbraw/zinc/79/84/97/627798497.db2.gz FTNCWJRUFQQAGH-FHWLQOOXSA-N 3 1 307.526 3.009 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000925806583 627798501 /nfs/dbraw/zinc/79/85/01/627798501.db2.gz FTNCWJRUFQQAGH-FHWLQOOXSA-N 2 1 307.526 3.009 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000925806580 627798657 /nfs/dbraw/zinc/79/86/57/627798657.db2.gz FTNCWJRUFQQAGH-CEXWTWQISA-N 3 1 307.526 3.009 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000925806580 627798661 /nfs/dbraw/zinc/79/86/61/627798661.db2.gz FTNCWJRUFQQAGH-CEXWTWQISA-N 2 1 307.526 3.009 20 0 DGADMP COCC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925924123 627818843 /nfs/dbraw/zinc/81/88/43/627818843.db2.gz PSCJJQGOMRDKQH-YQQQUEKLSA-N 2 1 314.473 3.341 20 0 DGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325378 627880078 /nfs/dbraw/zinc/88/00/78/627880078.db2.gz LRILKRPFFDGTJN-VAMGGRTRSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926324918 627880161 /nfs/dbraw/zinc/88/01/61/627880161.db2.gz HOINWYIOOIIMPF-FVPXHTFXSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000926354217 627883605 /nfs/dbraw/zinc/88/36/05/627883605.db2.gz OBCSGBYGPSBLAS-MBOZVWFJSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000926354216 627883626 /nfs/dbraw/zinc/88/36/26/627883626.db2.gz OBCSGBYGPSBLAS-LCLWPZTBSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354745 627883908 /nfs/dbraw/zinc/88/39/08/627883908.db2.gz VIPUEZNGNSPWMG-QFBILLFUSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354745 627883913 /nfs/dbraw/zinc/88/39/13/627883913.db2.gz VIPUEZNGNSPWMG-QFBILLFUSA-N 2 1 310.445 3.039 20 0 DGADMP CCC1(CC)CCN(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000817361003 627889046 /nfs/dbraw/zinc/88/90/46/627889046.db2.gz YKGMEWIDGFEYOP-UHFFFAOYSA-N 2 1 323.525 3.035 20 0 DGADMP C[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469865 627900106 /nfs/dbraw/zinc/90/01/06/627900106.db2.gz HGHAFXGHDLJHGN-KPFFTGBYSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469865 627900111 /nfs/dbraw/zinc/90/01/11/627900111.db2.gz HGHAFXGHDLJHGN-KPFFTGBYSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926468579 627900239 /nfs/dbraw/zinc/90/02/39/627900239.db2.gz HVPBDIMTGAOKCT-QFMLELGNSA-N 2 1 314.473 3.197 20 0 DGADMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+](C)CC(C)C)n(C)n1 ZINC000926646059 627926824 /nfs/dbraw/zinc/92/68/24/627926824.db2.gz UQCVDQOJACDZGC-HKUYNNGSSA-N 2 1 320.525 3.007 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000926709038 627937482 /nfs/dbraw/zinc/93/74/82/627937482.db2.gz WRNHMGYXDYBTTK-IBGZPJMESA-N 2 1 302.462 3.480 20 0 DGADMP Clc1ccnc2c1CC[C@@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737935 627943681 /nfs/dbraw/zinc/94/36/81/627943681.db2.gz HSSAFMCVIXZNAC-YOEHRIQHSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737935 627943683 /nfs/dbraw/zinc/94/36/83/627943683.db2.gz HSSAFMCVIXZNAC-YOEHRIQHSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737935 627943686 /nfs/dbraw/zinc/94/36/86/627943686.db2.gz HSSAFMCVIXZNAC-YOEHRIQHSA-N 2 1 319.880 3.434 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926753167 627946409 /nfs/dbraw/zinc/94/64/09/627946409.db2.gz FQFBZIIDHJIJIC-CZUORRHYSA-N 2 1 308.853 3.233 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(N2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000817890304 627953641 /nfs/dbraw/zinc/95/36/41/627953641.db2.gz RSFUONDIBPULIP-INIZCTEOSA-N 2 1 324.472 3.378 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817891851 627953731 /nfs/dbraw/zinc/95/37/31/627953731.db2.gz OKCUYXDYNMSRCM-HZMBPMFUSA-N 2 1 315.230 3.066 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000817897403 627955639 /nfs/dbraw/zinc/95/56/39/627955639.db2.gz NUOHUUHMLFBBQD-HZPDHXFCSA-N 2 1 310.445 3.122 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCCC3)C2)CO1 ZINC000926804524 627958186 /nfs/dbraw/zinc/95/81/86/627958186.db2.gz KNBSRYNLMLQRQM-JCJXWUGKSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCCC3)C2)CO1 ZINC000926804524 627958188 /nfs/dbraw/zinc/95/81/88/627958188.db2.gz KNBSRYNLMLQRQM-JCJXWUGKSA-N 2 1 306.494 3.331 20 0 DGADMP CC[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817928432 627964099 /nfs/dbraw/zinc/96/40/99/627964099.db2.gz WSTGNAWQODVRGD-SLFFLAALSA-N 2 1 315.505 3.019 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817978871 627981810 /nfs/dbraw/zinc/98/18/10/627981810.db2.gz FWOFRSHTPOGYNF-QAPCUYQASA-N 3 1 319.493 3.069 20 0 DGADMP C1CC[C@H]2CC[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C[C@H]2C1 ZINC000817983261 627983404 /nfs/dbraw/zinc/98/34/04/627983404.db2.gz LGLXTRFZGWUZCI-LKXUXUIPSA-N 2 1 319.537 3.151 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000927018917 627998897 /nfs/dbraw/zinc/99/88/97/627998897.db2.gz BUENENHVTHDADM-FUMNGEBKSA-N 2 1 316.489 3.038 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000927019280 627999048 /nfs/dbraw/zinc/99/90/48/627999048.db2.gz DUIFRXOIHYUBSW-YSIASYRMSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000927019280 627999050 /nfs/dbraw/zinc/99/90/50/627999050.db2.gz DUIFRXOIHYUBSW-YSIASYRMSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000927018920 627999143 /nfs/dbraw/zinc/99/91/43/627999143.db2.gz BUENENHVTHDADM-ZRNYENFQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818959043 628067188 /nfs/dbraw/zinc/06/71/88/628067188.db2.gz BASUWRJWVHYBOU-CRAIPNDOSA-N 2 1 308.441 3.103 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc2ccccc21 ZINC000818959316 628067559 /nfs/dbraw/zinc/06/75/59/628067559.db2.gz HYZABLAWQHPUKB-UFYCRDLUSA-N 2 1 310.441 3.090 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc2ccccc21 ZINC000818959316 628067560 /nfs/dbraw/zinc/06/75/60/628067560.db2.gz HYZABLAWQHPUKB-UFYCRDLUSA-N 2 1 310.441 3.090 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000818959236 628067628 /nfs/dbraw/zinc/06/76/28/628067628.db2.gz GBVQFOQEPQDYQC-VQIMIIECSA-N 2 1 322.468 3.412 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000818962738 628068990 /nfs/dbraw/zinc/06/89/90/628068990.db2.gz XEAWRWNLUIBWAS-HXUWFJFHSA-N 2 1 312.457 3.350 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819273774 628125002 /nfs/dbraw/zinc/12/50/02/628125002.db2.gz GEJSEIAXUIGTMQ-PZJWPPBQSA-N 2 1 324.468 3.140 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819273775 628125058 /nfs/dbraw/zinc/12/50/58/628125058.db2.gz GEJSEIAXUIGTMQ-TZIWHRDSSA-N 2 1 324.468 3.140 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000820811252 628299660 /nfs/dbraw/zinc/29/96/60/628299660.db2.gz NRVQUDNCHLPFHO-HMGCCCKFSA-N 2 1 304.478 3.082 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000821368206 628360414 /nfs/dbraw/zinc/36/04/14/628360414.db2.gz LZVIMMZATVNPDG-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP Fc1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489613 628567992 /nfs/dbraw/zinc/56/79/92/628567992.db2.gz JMUSJLDQJKZLGQ-WFASDCNBSA-N 2 1 323.843 3.323 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000825325756 628750015 /nfs/dbraw/zinc/75/00/15/628750015.db2.gz ILASCHJDESOACT-ZIAGYGMSSA-N 2 1 324.852 3.089 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000834585383 629734834 /nfs/dbraw/zinc/73/48/34/629734834.db2.gz OGHZWHSGBXBLMT-RTBURBONSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000834584981 629735282 /nfs/dbraw/zinc/73/52/82/629735282.db2.gz BIBBMIZABNHGEI-YOEHRIQHSA-N 2 1 308.491 3.351 20 0 DGADMP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000834882812 629796810 /nfs/dbraw/zinc/79/68/10/629796810.db2.gz BMQXXIFPDOQRSU-CCNLRDMRSA-N 2 1 322.880 3.285 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000840807916 630360991 /nfs/dbraw/zinc/36/09/91/630360991.db2.gz IGEDRKNIZXILIU-CVEARBPZSA-N 2 1 320.477 3.224 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)C1CC1 ZINC000841028571 630397822 /nfs/dbraw/zinc/39/78/22/630397822.db2.gz PUOZWWZZQMAOKK-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(CC[NH3+])cc2)s1 ZINC000841032243 630399083 /nfs/dbraw/zinc/39/90/83/630399083.db2.gz AJSWDGWWULVELR-UHFFFAOYSA-N 2 1 303.475 3.232 20 0 DGADMP CCCCCCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000841085578 630406063 /nfs/dbraw/zinc/40/60/63/630406063.db2.gz HKNOQEXQVLTDMB-LJQANCHMSA-N 2 1 320.477 3.114 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)oc21 ZINC000841087819 630406719 /nfs/dbraw/zinc/40/67/19/630406719.db2.gz QFXJFXYYOOAQRK-NVXWUHKLSA-N 2 1 314.429 3.405 20 0 DGADMP CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000842471664 630538843 /nfs/dbraw/zinc/53/88/43/630538843.db2.gz PXXHGJZKVRXUKC-MRXNPFEDSA-N 2 1 306.450 3.058 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCc2ccccc2F)cc1 ZINC000842472067 630539007 /nfs/dbraw/zinc/53/90/07/630539007.db2.gz OYRNLNPZRIXWTL-QGZVFWFLSA-N 2 1 316.420 3.051 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000842479745 630540281 /nfs/dbraw/zinc/54/02/81/630540281.db2.gz XNKKDYVGMYMCDZ-UHFFFAOYSA-N 2 1 316.445 3.266 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000842479745 630540284 /nfs/dbraw/zinc/54/02/84/630540284.db2.gz XNKKDYVGMYMCDZ-UHFFFAOYSA-N 2 1 316.445 3.266 20 0 DGADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c(SC)cc1OC ZINC000843056098 630609568 /nfs/dbraw/zinc/60/95/68/630609568.db2.gz YVOHWWGXWZYNEA-UHFFFAOYSA-N 2 1 324.490 3.127 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000843056057 630609645 /nfs/dbraw/zinc/60/96/45/630609645.db2.gz WKIVHOLOUMPEBL-UHFFFAOYSA-N 2 1 320.387 3.057 20 0 DGADMP C[C@]1(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]C1 ZINC000843119586 630615970 /nfs/dbraw/zinc/61/59/70/630615970.db2.gz UESDYEDOPUVEJT-ZBFHGGJFSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843342428 630647788 /nfs/dbraw/zinc/64/77/88/630647788.db2.gz QOWBAYMQDMGVOL-IEBWSBKVSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000843342428 630647792 /nfs/dbraw/zinc/64/77/92/630647792.db2.gz QOWBAYMQDMGVOL-IEBWSBKVSA-N 2 1 303.494 3.006 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c2cc1C ZINC000843355385 630649281 /nfs/dbraw/zinc/64/92/81/630649281.db2.gz ZLQLHENDEZUQBC-KRWDZBQOSA-N 2 1 316.445 3.215 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c2cc1C ZINC000843355385 630649285 /nfs/dbraw/zinc/64/92/85/630649285.db2.gz ZLQLHENDEZUQBC-KRWDZBQOSA-N 2 1 316.445 3.215 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+]C1)c1cccs1 ZINC000843359042 630649512 /nfs/dbraw/zinc/64/95/12/630649512.db2.gz FDSFKAQJECMPFE-HRCADAONSA-N 2 1 308.491 3.026 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1CCC([NH3+])CC1 ZINC000843354933 630649548 /nfs/dbraw/zinc/64/95/48/630649548.db2.gz MHUKUOHBYKNNPP-UHFFFAOYSA-N 2 1 300.805 3.060 20 0 DGADMP Clc1ccc(OCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363838 630650076 /nfs/dbraw/zinc/65/00/76/630650076.db2.gz DBDIHZHAUODKCU-UHFFFAOYSA-N 2 1 308.853 3.184 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3CC[NH3+])c2cc1C ZINC000843383368 630651128 /nfs/dbraw/zinc/65/11/28/630651128.db2.gz FUHJSMUAQQCTAX-INIZCTEOSA-N 2 1 314.429 3.113 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000843387518 630651487 /nfs/dbraw/zinc/65/14/87/630651487.db2.gz GVMBQGDHIJWFRI-QWHCGFSZSA-N 2 1 314.260 3.210 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000105425152 630709833 /nfs/dbraw/zinc/70/98/33/630709833.db2.gz SGNJYEAXJIVAQO-MRXNPFEDSA-N 2 1 302.462 3.222 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)CC1 ZINC000844221216 630713049 /nfs/dbraw/zinc/71/30/49/630713049.db2.gz AMYGRYZQDRALBG-IBGZPJMESA-N 3 1 309.542 3.340 20 0 DGADMP CC[N@@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000846182637 631213879 /nfs/dbraw/zinc/21/38/79/631213879.db2.gz NTHTWJWKQWGCQL-JLYLLQBASA-N 2 1 307.526 3.246 20 0 DGADMP CC[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000846182637 631213880 /nfs/dbraw/zinc/21/38/80/631213880.db2.gz NTHTWJWKQWGCQL-JLYLLQBASA-N 2 1 307.526 3.246 20 0 DGADMP CC[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000846182637 631213882 /nfs/dbraw/zinc/21/38/82/631213882.db2.gz NTHTWJWKQWGCQL-JLYLLQBASA-N 2 1 307.526 3.246 20 0 DGADMP CC[N@@H+](CCCCCC[NH3+])CC1CCN(c2ccccn2)CC1 ZINC000846219482 631215323 /nfs/dbraw/zinc/21/53/23/631215323.db2.gz BQAAHTXLQVALNK-UHFFFAOYSA-N 2 1 318.509 3.139 20 0 DGADMP Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CC[NH2+]C2)c1 ZINC000846223256 631215628 /nfs/dbraw/zinc/21/56/28/631215628.db2.gz VGEACIWRLNAFFU-PZJWPPBQSA-N 2 1 324.468 3.140 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846814164 631316284 /nfs/dbraw/zinc/31/62/84/631316284.db2.gz OCIILAVUBYARBF-GOEBONIOSA-N 2 1 319.474 3.002 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846814164 631316288 /nfs/dbraw/zinc/31/62/88/631316288.db2.gz OCIILAVUBYARBF-GOEBONIOSA-N 2 1 319.474 3.002 20 0 DGADMP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925485889 631478088 /nfs/dbraw/zinc/47/80/88/631478088.db2.gz PJKZHGKZSFFMRK-LJQANCHMSA-N 2 1 313.489 3.094 20 0 DGADMP CSCCCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848544938 631687341 /nfs/dbraw/zinc/68/73/41/631687341.db2.gz PPZFTGLPKZSHDM-QGZVFWFLSA-N 2 1 314.539 3.143 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000848884520 631771284 /nfs/dbraw/zinc/77/12/84/631771284.db2.gz MOUZLHVIHGSAOX-LJQANCHMSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)CNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989165 631799480 /nfs/dbraw/zinc/79/94/80/631799480.db2.gz CFQMHSXTFDAYIU-FUHWJXTLSA-N 2 1 316.493 3.057 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000848992817 631800248 /nfs/dbraw/zinc/80/02/48/631800248.db2.gz WXWKQZWZVCEQPB-GJZGRUSLSA-N 2 1 302.466 3.478 20 0 DGADMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000848996326 631800936 /nfs/dbraw/zinc/80/09/36/631800936.db2.gz POFQYPFKWZEYDV-HNNXBMFYSA-N 2 1 302.466 3.477 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000849073880 631827840 /nfs/dbraw/zinc/82/78/40/631827840.db2.gz KOHUQOXAXNNCLO-UHFFFAOYSA-N 2 1 304.482 3.478 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCCCCCC3)cc2)C1 ZINC000850357894 632124643 /nfs/dbraw/zinc/12/46/43/632124643.db2.gz XMHXFXOXXKMJLR-HXUWFJFHSA-N 2 1 316.489 3.456 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000850423936 632148479 /nfs/dbraw/zinc/14/84/79/632148479.db2.gz ZRKUZVHLXHDDFZ-LSDHHAIUSA-N 2 1 300.446 3.147 20 0 DGADMP CC1(C)OC[C@H](CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750262 632485263 /nfs/dbraw/zinc/48/52/63/632485263.db2.gz BZYCJHRMQFRIFX-MSOLQXFVSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC(F)F)CC1 ZINC000851814512 632502662 /nfs/dbraw/zinc/50/26/62/632502662.db2.gz SKCDLUBAUJXAGK-CQSZACIVSA-N 2 1 304.425 3.202 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1)CC1CC1 ZINC000851889393 632515096 /nfs/dbraw/zinc/51/50/96/632515096.db2.gz HSFDZKDZPLEBDR-MOPGFXCFSA-N 2 1 308.510 3.388 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](NCC=C(Cl)Cl)[C@@H](C)C1 ZINC000851947253 632527856 /nfs/dbraw/zinc/52/78/56/632527856.db2.gz PKNSTVGJIMXCAQ-QWHCGFSZSA-N 2 1 309.281 3.032 20 0 DGADMP COc1cncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000700060894 660612141 /nfs/dbraw/zinc/61/21/41/660612141.db2.gz RYGLBYMJBHHJJH-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP COc1cncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000700060894 660612142 /nfs/dbraw/zinc/61/21/42/660612142.db2.gz RYGLBYMJBHHJJH-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000703017966 660755382 /nfs/dbraw/zinc/75/53/82/660755382.db2.gz OVEZXEFQJCJIMB-OTBHMBEGSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000703017966 660755383 /nfs/dbraw/zinc/75/53/83/660755383.db2.gz OVEZXEFQJCJIMB-OTBHMBEGSA-N 2 1 316.489 3.323 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034482006 660757771 /nfs/dbraw/zinc/75/77/71/660757771.db2.gz YCSUQCOSFKMELB-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034482006 660757772 /nfs/dbraw/zinc/75/77/72/660757772.db2.gz YCSUQCOSFKMELB-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034482006 660757773 /nfs/dbraw/zinc/75/77/73/660757773.db2.gz YCSUQCOSFKMELB-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CSC1CC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000706806395 660873458 /nfs/dbraw/zinc/87/34/58/660873458.db2.gz WKLNEWMNWXOAEG-WSDZMALLSA-N 2 1 304.503 3.381 20 0 DGADMP CSC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000706888634 660879695 /nfs/dbraw/zinc/87/96/95/660879695.db2.gz OYORTISAQKQZOI-IWCVFHTOSA-N 2 1 304.503 3.381 20 0 DGADMP CSC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000706888634 660879697 /nfs/dbraw/zinc/87/96/97/660879697.db2.gz OYORTISAQKQZOI-IWCVFHTOSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000708514647 660923929 /nfs/dbraw/zinc/92/39/29/660923929.db2.gz UBJVMMDHWFAHMJ-PBHICJAKSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000708514647 660923932 /nfs/dbraw/zinc/92/39/32/660923932.db2.gz UBJVMMDHWFAHMJ-PBHICJAKSA-N 2 1 315.486 3.309 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000792968383 660997737 /nfs/dbraw/zinc/99/77/37/660997737.db2.gz GNHIUUYSEUOSFS-HSALFYBXSA-N 2 1 316.489 3.269 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000792968383 660997739 /nfs/dbraw/zinc/99/77/39/660997739.db2.gz GNHIUUYSEUOSFS-HSALFYBXSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n(C)n1 ZINC000793525629 661041821 /nfs/dbraw/zinc/04/18/21/661041821.db2.gz JAWOCHBMAYOBJX-INIZCTEOSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536643 661043008 /nfs/dbraw/zinc/04/30/08/661043008.db2.gz UAOZKDZMKJLQQF-DLBZAZTESA-N 2 1 314.477 3.290 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536643 661043013 /nfs/dbraw/zinc/04/30/13/661043013.db2.gz UAOZKDZMKJLQQF-DLBZAZTESA-N 2 1 314.477 3.290 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794601892 661093248 /nfs/dbraw/zinc/09/32/48/661093248.db2.gz GKQDYWYPQGPCIK-OALUTQOASA-N 2 1 315.461 3.320 20 0 DGADMP C1CC([C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]2CCOC2)C1 ZINC000926706514 655934510 /nfs/dbraw/zinc/93/45/10/655934510.db2.gz HWDYSNCDZKUOSV-JENIJYKNSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC([C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]2CCOC2)C1 ZINC000926706514 655934511 /nfs/dbraw/zinc/93/45/11/655934511.db2.gz HWDYSNCDZKUOSV-JENIJYKNSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC([C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]2CCOC2)C1 ZINC000926706517 655934602 /nfs/dbraw/zinc/93/46/02/655934602.db2.gz HWDYSNCDZKUOSV-ZIFCJYIRSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC([C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]2CCOC2)C1 ZINC000926706517 655934603 /nfs/dbraw/zinc/93/46/03/655934603.db2.gz HWDYSNCDZKUOSV-ZIFCJYIRSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1ccc(O)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC000236666961 656094981 /nfs/dbraw/zinc/09/49/81/656094981.db2.gz JEUXUFJOEINNNB-UHFFFAOYSA-N 2 1 313.445 3.226 20 0 DGADMP C[C@@H](CCNCc1ccc(F)nc1)[N@@H+](C)Cc1ccccc1 ZINC000189136407 656152469 /nfs/dbraw/zinc/15/24/69/656152469.db2.gz YVDXGMIJYMLQKH-HNNXBMFYSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(F)nc1)[N@H+](C)Cc1ccccc1 ZINC000189136407 656152471 /nfs/dbraw/zinc/15/24/71/656152471.db2.gz YVDXGMIJYMLQKH-HNNXBMFYSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(F)nc1)[N@@H+](C)Cc1ccccc1 ZINC000189136407 656152475 /nfs/dbraw/zinc/15/24/75/656152475.db2.gz YVDXGMIJYMLQKH-HNNXBMFYSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@]1(C[NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310091111 656209720 /nfs/dbraw/zinc/20/97/20/656209720.db2.gz RDVRSMGOGYVFMD-NHCUHLMSSA-N 2 1 324.468 3.222 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447228 656437126 /nfs/dbraw/zinc/43/71/26/656437126.db2.gz YWPDTVARJFTUHI-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447228 656437128 /nfs/dbraw/zinc/43/71/28/656437128.db2.gz YWPDTVARJFTUHI-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447228 656437130 /nfs/dbraw/zinc/43/71/30/656437130.db2.gz YWPDTVARJFTUHI-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763701 656763686 /nfs/dbraw/zinc/76/36/86/656763686.db2.gz JAOQRPADNADCHV-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763701 656763692 /nfs/dbraw/zinc/76/36/92/656763692.db2.gz JAOQRPADNADCHV-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052763701 656763699 /nfs/dbraw/zinc/76/36/99/656763699.db2.gz JAOQRPADNADCHV-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764391 656763735 /nfs/dbraw/zinc/76/37/35/656763735.db2.gz NWRULBOOUNZMAE-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052860836 656777945 /nfs/dbraw/zinc/77/79/45/656777945.db2.gz XRHBXJUFQATECB-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052860836 656777946 /nfs/dbraw/zinc/77/79/46/656777946.db2.gz XRHBXJUFQATECB-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052860836 656777948 /nfs/dbraw/zinc/77/79/48/656777948.db2.gz XRHBXJUFQATECB-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764476 657082704 /nfs/dbraw/zinc/08/27/04/657082704.db2.gz DGLNECLPRCIDAE-TZMCWYRMSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764476 657082710 /nfs/dbraw/zinc/08/27/10/657082710.db2.gz DGLNECLPRCIDAE-TZMCWYRMSA-N 2 1 308.853 3.298 20 0 DGADMP c1cncc(-c2cccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2)c1 ZINC000262039524 657296290 /nfs/dbraw/zinc/29/62/90/657296290.db2.gz OZICDHIDOVSCCS-UHFFFAOYSA-N 2 1 307.441 3.324 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000262418044 657553854 /nfs/dbraw/zinc/55/38/54/657553854.db2.gz DSSUFVQWFXPAPI-BHYGNILZSA-N 2 1 313.470 3.288 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000262418044 657553859 /nfs/dbraw/zinc/55/38/59/657553859.db2.gz DSSUFVQWFXPAPI-BHYGNILZSA-N 2 1 313.470 3.288 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC)C1 ZINC001009169228 657752929 /nfs/dbraw/zinc/75/29/29/657752929.db2.gz NSSYSNYEBKMHHM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169228 657752938 /nfs/dbraw/zinc/75/29/38/657752938.db2.gz NSSYSNYEBKMHHM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169228 657752946 /nfs/dbraw/zinc/75/29/46/657752946.db2.gz NSSYSNYEBKMHHM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000321660639 658275852 /nfs/dbraw/zinc/27/58/52/658275852.db2.gz QWLHATXMOFQFKR-BXWFABGCSA-N 2 1 314.473 3.252 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000321660639 658275858 /nfs/dbraw/zinc/27/58/58/658275858.db2.gz QWLHATXMOFQFKR-BXWFABGCSA-N 2 1 314.473 3.252 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@@H]1C ZINC000929780663 659578424 /nfs/dbraw/zinc/57/84/24/659578424.db2.gz MKOINEKADQHVJD-ZQDZILKHSA-N 2 1 322.415 3.291 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@@H]1C ZINC000929780663 659578430 /nfs/dbraw/zinc/57/84/30/659578430.db2.gz MKOINEKADQHVJD-ZQDZILKHSA-N 2 1 322.415 3.291 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@@H]1C ZINC000929780663 659578435 /nfs/dbraw/zinc/57/84/35/659578435.db2.gz MKOINEKADQHVJD-ZQDZILKHSA-N 2 1 322.415 3.291 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCC2(CC2)CC1 ZINC000930061082 659902089 /nfs/dbraw/zinc/90/20/89/659902089.db2.gz PUWCFEQWRFNKSJ-SQNIBIBYSA-N 2 1 306.494 3.140 20 0 DGADMP C[C@H]1C[C@@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089908801 659909653 /nfs/dbraw/zinc/90/96/53/659909653.db2.gz LHSXZSLJXUWFTC-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1nc(C)c(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000929762969 661335864 /nfs/dbraw/zinc/33/58/64/661335864.db2.gz AINMFCMUGARFEI-SFHVURJKSA-N 2 1 312.461 3.123 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)[nH]1 ZINC000929806593 661340330 /nfs/dbraw/zinc/34/03/30/661340330.db2.gz LDWPVMBLCUGXHP-GOSISDBHSA-N 2 1 313.445 3.250 20 0 DGADMP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000929806918 661340848 /nfs/dbraw/zinc/34/08/48/661340848.db2.gz LXRYBLDJRXLDKH-YSIASYRMSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929806918 661340851 /nfs/dbraw/zinc/34/08/51/661340851.db2.gz LXRYBLDJRXLDKH-YSIASYRMSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929806918 661340853 /nfs/dbraw/zinc/34/08/53/661340853.db2.gz LXRYBLDJRXLDKH-YSIASYRMSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930061474 661362373 /nfs/dbraw/zinc/36/23/73/661362373.db2.gz RIHILRXJEXBDPA-KGLIPLIRSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930061474 661362376 /nfs/dbraw/zinc/36/23/76/661362376.db2.gz RIHILRXJEXBDPA-KGLIPLIRSA-N 2 1 319.371 3.013 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930558962 661410728 /nfs/dbraw/zinc/41/07/28/661410728.db2.gz RWEPGTUATTUCSN-ZACQAIPSSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930558962 661410730 /nfs/dbraw/zinc/41/07/30/661410730.db2.gz RWEPGTUATTUCSN-ZACQAIPSSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930558962 661410731 /nfs/dbraw/zinc/41/07/31/661410731.db2.gz RWEPGTUATTUCSN-ZACQAIPSSA-N 2 1 306.400 3.063 20 0 DGADMP Cc1ccc(CCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931287067 661463915 /nfs/dbraw/zinc/46/39/15/661463915.db2.gz MGMISDRPCNMKKE-UHFFFAOYSA-N 2 1 316.489 3.114 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)o2)cc1 ZINC000931435052 661476280 /nfs/dbraw/zinc/47/62/80/661476280.db2.gz FIDNFWNOOYZSNK-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)o2)cc1 ZINC000931435052 661476282 /nfs/dbraw/zinc/47/62/82/661476282.db2.gz FIDNFWNOOYZSNK-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)o2)cc1 ZINC000931435052 661476284 /nfs/dbraw/zinc/47/62/84/661476284.db2.gz FIDNFWNOOYZSNK-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)o2)cc1 ZINC000931435052 661476285 /nfs/dbraw/zinc/47/62/85/661476285.db2.gz FIDNFWNOOYZSNK-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP CC[C@@H](OCCN1CCc2nccc(N)c2C1)c1ccccc1 ZINC000931515744 661484624 /nfs/dbraw/zinc/48/46/24/661484624.db2.gz JODUMTNXIBGCHU-LJQANCHMSA-N 2 1 311.429 3.190 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000932687504 661591473 /nfs/dbraw/zinc/59/14/73/661591473.db2.gz RWUOVAYPPOUMMB-GOSISDBHSA-N 2 1 321.465 3.025 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000932687504 661591474 /nfs/dbraw/zinc/59/14/74/661591474.db2.gz RWUOVAYPPOUMMB-GOSISDBHSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1csc(C[C@@H]2CC[N@@H+](CCCCn3ccnc3C)C2)n1 ZINC000933130146 661618944 /nfs/dbraw/zinc/61/89/44/661618944.db2.gz PVAKBQURNZDRDK-INIZCTEOSA-N 2 1 318.490 3.301 20 0 DGADMP Cc1csc(C[C@@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000933130146 661618945 /nfs/dbraw/zinc/61/89/45/661618945.db2.gz PVAKBQURNZDRDK-INIZCTEOSA-N 2 1 318.490 3.301 20 0 DGADMP Cc1csc(C[C@@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000933130146 661618947 /nfs/dbraw/zinc/61/89/47/661618947.db2.gz PVAKBQURNZDRDK-INIZCTEOSA-N 2 1 318.490 3.301 20 0 DGADMP CC(C)[C@@H](O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933549530 661640516 /nfs/dbraw/zinc/64/05/16/661640516.db2.gz GVQIVGXXCZEVHR-IBGZPJMESA-N 2 1 316.489 3.090 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934562995 661715275 /nfs/dbraw/zinc/71/52/75/661715275.db2.gz UKHQXGJBTIUATJ-HNNXBMFYSA-N 2 1 315.465 3.319 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000247122954 662301858 /nfs/dbraw/zinc/30/18/58/662301858.db2.gz PTCFEPKWZQPLLJ-NSHGMRRFSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCOC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380930108 685153752 /nfs/dbraw/zinc/15/37/52/685153752.db2.gz FSXNDZUTAZCZPM-AZUAARDMSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccc(CO)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000383464436 685166815 /nfs/dbraw/zinc/16/68/15/685166815.db2.gz KDGGSYALNMSVMD-NRFANRHFSA-N 2 1 324.468 3.181 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388525196 685189902 /nfs/dbraw/zinc/18/99/02/685189902.db2.gz QWUNHGMOMBFYFP-LJQANCHMSA-N 2 1 303.494 3.102 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc4ccccc43)CC[C@@H]21 ZINC000391830396 685212280 /nfs/dbraw/zinc/21/22/80/685212280.db2.gz CZALPDRWGRWTOA-QMMLZNLJSA-N 2 1 324.468 3.289 20 0 DGADMP C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1CCC[NH3+] ZINC001576524818 1191839632 /nfs/dbraw/zinc/83/96/32/1191839632.db2.gz VSSIKEOPARTZNQ-HNNXBMFYSA-N 2 1 316.367 3.331 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001620778375 1191848684 /nfs/dbraw/zinc/84/86/84/1191848684.db2.gz QFNSVMHQUPLXSI-ULQDDVLXSA-N 2 1 312.498 3.208 20 0 DGADMP C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647430 1191858330 /nfs/dbraw/zinc/85/83/30/1191858330.db2.gz GGYWUSKPYCGHMK-NNIGNNQHSA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647430 1191858340 /nfs/dbraw/zinc/85/83/40/1191858340.db2.gz GGYWUSKPYCGHMK-NNIGNNQHSA-N 2 1 307.526 3.089 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001620779516 1191860325 /nfs/dbraw/zinc/86/03/25/1191860325.db2.gz DTSZPUWKDLGXKL-KRWDZBQOSA-N 2 1 324.472 3.354 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001620779516 1191860328 /nfs/dbraw/zinc/86/03/28/1191860328.db2.gz DTSZPUWKDLGXKL-KRWDZBQOSA-N 2 1 324.472 3.354 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001576798123 1191870338 /nfs/dbraw/zinc/87/03/38/1191870338.db2.gz MVWAURUCMQZFJP-UONOGXRCSA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC2(CC[NH2+]CC2)O1 ZINC001576799920 1191870513 /nfs/dbraw/zinc/87/05/13/1191870513.db2.gz DGOVNUVGIUFANW-DYVFJYSZSA-N 2 1 320.864 3.170 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2O1 ZINC001576862704 1191871485 /nfs/dbraw/zinc/87/14/85/1191871485.db2.gz PIKNHTUSPUPZLH-NXHRZFHOSA-N 2 1 314.473 3.222 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001577230249 1191889245 /nfs/dbraw/zinc/88/92/45/1191889245.db2.gz CTXXVOGCBMVTRP-UHFFFAOYSA-N 2 1 318.461 3.345 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001577495365 1191905364 /nfs/dbraw/zinc/90/53/64/1191905364.db2.gz GUSMQASIEJSVKO-BMGDILEWSA-N 2 1 323.912 3.311 20 0 DGADMP CCNc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC001577902221 1191918350 /nfs/dbraw/zinc/91/83/50/1191918350.db2.gz LAUUNJLHMYBHBY-AWEZNQCLSA-N 2 1 322.522 3.177 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)c(C)c1 ZINC001578176480 1191929584 /nfs/dbraw/zinc/92/95/84/1191929584.db2.gz HSWPYASLRIAUBT-MJGOQNOKSA-N 2 1 302.462 3.345 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCC2CCC2)cc1 ZINC001578189775 1191930717 /nfs/dbraw/zinc/93/07/17/1191930717.db2.gz SBYCYSUPVMKGMA-OALUTQOASA-N 2 1 302.462 3.311 20 0 DGADMP CCn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c(-c2ccccc2)n1 ZINC001578346251 1191939179 /nfs/dbraw/zinc/93/91/79/1191939179.db2.gz OPBVQOKCRUPIJP-UHFFFAOYSA-N 2 1 312.461 3.272 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001578486358 1191946547 /nfs/dbraw/zinc/94/65/47/1191946547.db2.gz NLXLVTFQTRVEEB-MISXGVKJSA-N 2 1 317.260 3.086 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001578970307 1191964010 /nfs/dbraw/zinc/96/40/10/1191964010.db2.gz QRZGQYGGLRXCNY-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001578970307 1191964011 /nfs/dbraw/zinc/96/40/11/1191964011.db2.gz QRZGQYGGLRXCNY-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)o1 ZINC001579091448 1191966950 /nfs/dbraw/zinc/96/69/50/1191966950.db2.gz OXXNIDANEPBVQA-KRWDZBQOSA-N 2 1 300.402 3.222 20 0 DGADMP COc1cccc(-c2csc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n2)c1 ZINC001579253206 1191970181 /nfs/dbraw/zinc/97/01/81/1191970181.db2.gz KRZUACICWVQGRC-RYUDHWBXSA-N 2 1 305.447 3.034 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC[C@@H]([NH3+])CCC(C)(C)C ZINC001579475788 1191977156 /nfs/dbraw/zinc/97/71/56/1191977156.db2.gz SRRQPAPRGCTKGK-AEFFLSMTSA-N 2 1 305.510 3.250 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC001579510040 1191977972 /nfs/dbraw/zinc/97/79/72/1191977972.db2.gz RBNHVIVIYMPYCB-MJGOQNOKSA-N 2 1 316.565 3.196 20 0 DGADMP Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001579535769 1191979255 /nfs/dbraw/zinc/97/92/55/1191979255.db2.gz VNWKAPJWBRORLK-INIZCTEOSA-N 2 1 321.896 3.160 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nc3c(s2)C[NH2+]CC3)c1 ZINC001579580404 1191980333 /nfs/dbraw/zinc/98/03/33/1191980333.db2.gz WWTZMMJYZXSNOY-CYBMUJFWSA-N 2 1 301.459 3.256 20 0 DGADMP Cc1ccc([C@H]2C[C@H](C)[N@H+](CCC3([NH3+])CCOCC3)C2)cc1 ZINC001579677796 1191986193 /nfs/dbraw/zinc/98/61/93/1191986193.db2.gz CHKMZLRSSZAAPY-WMZOPIPTSA-N 2 1 302.462 3.071 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001579785655 1191993532 /nfs/dbraw/zinc/99/35/32/1191993532.db2.gz WCTNSAXBPPIYBC-RBUKOAKNSA-N 2 1 324.472 3.157 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001579889716 1191998471 /nfs/dbraw/zinc/99/84/71/1191998471.db2.gz WQDCXZYITHTWTD-CQSZACIVSA-N 2 1 304.482 3.045 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c(Cl)n1 ZINC001579961858 1192001185 /nfs/dbraw/zinc/00/11/85/1192001185.db2.gz UPQAEORITFJHKG-CZUORRHYSA-N 2 1 324.900 3.193 20 0 DGADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC001580033891 1192004077 /nfs/dbraw/zinc/00/40/77/1192004077.db2.gz CFUYXZGCTSQNGQ-LBPRGKRZSA-N 2 1 305.422 3.038 20 0 DGADMP [NH3+]C[C@@H]1CCCC12CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001580259712 1192016551 /nfs/dbraw/zinc/01/65/51/1192016551.db2.gz DXFQNQBCCBRGDJ-LBPRGKRZSA-N 2 1 310.388 3.011 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001580287141 1192019610 /nfs/dbraw/zinc/01/96/10/1192019610.db2.gz RDYHXJVGEXWQHT-WFASDCNBSA-N 2 1 317.260 3.230 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001580287141 1192019611 /nfs/dbraw/zinc/01/96/11/1192019611.db2.gz RDYHXJVGEXWQHT-WFASDCNBSA-N 2 1 317.260 3.230 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC001580343014 1192022705 /nfs/dbraw/zinc/02/27/05/1192022705.db2.gz TYDWUFICYQLEOB-IBGZPJMESA-N 2 1 302.462 3.174 20 0 DGADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC001580895254 1192044519 /nfs/dbraw/zinc/04/45/19/1192044519.db2.gz IFAOJWOBEBOKRJ-AEFFLSMTSA-N 2 1 309.413 3.058 20 0 DGADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC001580895254 1192044522 /nfs/dbraw/zinc/04/45/22/1192044522.db2.gz IFAOJWOBEBOKRJ-AEFFLSMTSA-N 2 1 309.413 3.058 20 0 DGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000109442475 1176238869 /nfs/dbraw/zinc/23/88/69/1176238869.db2.gz GMPUBFRITQBDEJ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(Cl)ccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000129440411 1176424329 /nfs/dbraw/zinc/42/43/29/1176424329.db2.gz QRRUXTYRBRNAIO-UHFFFAOYSA-N 2 1 323.912 3.012 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC000378929174 1176755318 /nfs/dbraw/zinc/75/53/18/1176755318.db2.gz WNCUUNFIEBWUOT-AZUAARDMSA-N 2 1 316.489 3.263 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000394788446 1176759836 /nfs/dbraw/zinc/75/98/36/1176759836.db2.gz LSAXEAAXLBBQSD-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CC(C)C[N@H+](Cc1cccc2c[nH]nc21)CC1CC[NH+](C)CC1 ZINC001331084418 1178132883 /nfs/dbraw/zinc/13/28/83/1178132883.db2.gz XYVNQSZFYSJOOH-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP CC(C)n1ncc2c1[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277467 1178172455 /nfs/dbraw/zinc/17/24/55/1178172455.db2.gz MSEPLJBJGFWPNC-HZPDHXFCSA-N 2 1 304.482 3.304 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277467 1178172461 /nfs/dbraw/zinc/17/24/61/1178172461.db2.gz MSEPLJBJGFWPNC-HZPDHXFCSA-N 2 1 304.482 3.304 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1N1CCCC1)CC[NH2+]CC2 ZINC001331896396 1178300676 /nfs/dbraw/zinc/30/06/76/1178300676.db2.gz YOSHFMFFWARHCH-QGZVFWFLSA-N 2 1 313.489 3.251 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C/C=C(\C)COC)CC1)CC1CC1 ZINC001332697349 1178475772 /nfs/dbraw/zinc/47/57/72/1178475772.db2.gz KALVAUNWPPYPAD-REZTVBANSA-N 2 1 308.510 3.413 20 0 DGADMP Cn1cc([C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)cn1 ZINC001332876968 1178512978 /nfs/dbraw/zinc/51/29/78/1178512978.db2.gz GPELSCJIJOASOV-RCCFBDPRSA-N 2 1 312.461 3.005 20 0 DGADMP COC/C(C)=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001332917898 1178521874 /nfs/dbraw/zinc/52/18/74/1178521874.db2.gz BQMNWABWSCSURU-BWWJGZKUSA-N 2 1 302.462 3.079 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC001333146592 1178564172 /nfs/dbraw/zinc/56/41/72/1178564172.db2.gz YDRDBTIJNGLAEJ-INIZCTEOSA-N 2 1 308.416 3.219 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)cc(C)n1 ZINC001333484499 1178612898 /nfs/dbraw/zinc/61/28/98/1178612898.db2.gz QNEQDPLGTIMMLA-UHFFFAOYSA-N 2 1 300.450 3.370 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)cc(C)n1 ZINC001333484499 1178612899 /nfs/dbraw/zinc/61/28/99/1178612899.db2.gz QNEQDPLGTIMMLA-UHFFFAOYSA-N 2 1 300.450 3.370 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334355177 1178753599 /nfs/dbraw/zinc/75/35/99/1178753599.db2.gz AEFKJDZWCXWUFE-CGTJXYLNSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1C ZINC001334402708 1178759212 /nfs/dbraw/zinc/75/92/12/1178759212.db2.gz PYJYLLDKXGZPJR-UHFFFAOYSA-N 2 1 302.462 3.036 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC001334753477 1178791153 /nfs/dbraw/zinc/79/11/53/1178791153.db2.gz FDFZQZWDTAHNDC-MWLCHTKSSA-N 2 1 317.296 3.236 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2C1 ZINC001335581152 1178932510 /nfs/dbraw/zinc/93/25/10/1178932510.db2.gz BUZPKMFCHQWORD-WSTZPKSXSA-N 2 1 324.472 3.034 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1C ZINC001335583931 1178934007 /nfs/dbraw/zinc/93/40/07/1178934007.db2.gz SWLINLKVWXZERH-KSZLIROESA-N 2 1 318.509 3.072 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC001342092169 1179102579 /nfs/dbraw/zinc/10/25/79/1179102579.db2.gz CFGSFWDCAZIONS-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001342260126 1179123042 /nfs/dbraw/zinc/12/30/42/1179123042.db2.gz PPFAXPGLSRKDOT-CYBMUJFWSA-N 2 1 314.433 3.229 20 0 DGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001343019822 1179225001 /nfs/dbraw/zinc/22/50/01/1179225001.db2.gz BUGDQTZVCBVZFD-INIZCTEOSA-N 2 1 318.465 3.020 20 0 DGADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccccc1 ZINC001343019177 1179225025 /nfs/dbraw/zinc/22/50/25/1179225025.db2.gz KPWUZBCNVJIYEJ-QGZVFWFLSA-N 2 1 311.429 3.122 20 0 DGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001343019826 1179225407 /nfs/dbraw/zinc/22/54/07/1179225407.db2.gz BUGDQTZVCBVZFD-MRXNPFEDSA-N 2 1 318.465 3.020 20 0 DGADMP COCCCC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CCC1 ZINC001343332003 1179258277 /nfs/dbraw/zinc/25/82/77/1179258277.db2.gz ADCWPIHYDFCOLY-RCCFBDPRSA-N 2 1 308.510 3.245 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001343332686 1179258542 /nfs/dbraw/zinc/25/85/42/1179258542.db2.gz HQCUIEMLBDPHHY-BZUAXINKSA-N 2 1 308.416 3.169 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343335938 1179258620 /nfs/dbraw/zinc/25/86/20/1179258620.db2.gz YXPDBPWJAFGQEV-YESZJQIVSA-N 2 1 324.472 3.100 20 0 DGADMP N[C@@H](c1noc([C@H]([NH3+])C2CCCCCC2)n1)c1ccccc1 ZINC001352141078 1180300852 /nfs/dbraw/zinc/30/08/52/1180300852.db2.gz GVFJDTGLLBDCQY-HUUCEWRRSA-N 2 1 300.406 3.088 20 0 DGADMP C[C@H](COc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001352760301 1180394986 /nfs/dbraw/zinc/39/49/86/1180394986.db2.gz JDEGGLVPTIILHK-ZBSSRIJBSA-N 2 1 318.436 3.340 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2c[nH]nc21 ZINC001353604360 1180603451 /nfs/dbraw/zinc/60/34/51/1180603451.db2.gz JQCROCOAYROABA-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(Cl)c1 ZINC001200732926 1180860879 /nfs/dbraw/zinc/86/08/79/1180860879.db2.gz DUOOBLWFUIUODE-CYBMUJFWSA-N 2 1 319.836 3.358 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc(Cl)n1 ZINC001355372986 1181046460 /nfs/dbraw/zinc/04/64/60/1181046460.db2.gz HURLYIBMJSPDOI-HRCADAONSA-N 2 1 307.869 3.206 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC001365616520 1181684470 /nfs/dbraw/zinc/68/44/70/1181684470.db2.gz SEZFDFWLPOTSTC-KSSFIOAISA-N 2 1 317.477 3.228 20 0 DGADMP CO[C@H](C)C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001652391395 1195591140 /nfs/dbraw/zinc/59/11/40/1195591140.db2.gz GYSMGYDNCINZFC-CQSZACIVSA-N 2 1 307.825 3.074 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC001459718344 1182609796 /nfs/dbraw/zinc/60/97/96/1182609796.db2.gz JXYHKRBMRDWUGR-OALUTQOASA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC001459718344 1182609798 /nfs/dbraw/zinc/60/97/98/1182609798.db2.gz JXYHKRBMRDWUGR-OALUTQOASA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)CC ZINC001459718344 1182609802 /nfs/dbraw/zinc/60/98/02/1182609802.db2.gz JXYHKRBMRDWUGR-OALUTQOASA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)CC ZINC001459718344 1182609805 /nfs/dbraw/zinc/60/98/05/1182609805.db2.gz JXYHKRBMRDWUGR-OALUTQOASA-N 2 1 306.494 3.408 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001459779722 1182614659 /nfs/dbraw/zinc/61/46/59/1182614659.db2.gz QKIQFZLSQGDAJZ-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001459779722 1182614663 /nfs/dbraw/zinc/61/46/63/1182614663.db2.gz QKIQFZLSQGDAJZ-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001459779722 1182614669 /nfs/dbraw/zinc/61/46/69/1182614669.db2.gz QKIQFZLSQGDAJZ-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017303 1182640533 /nfs/dbraw/zinc/64/05/33/1182640533.db2.gz CBWRXGIZHODYGZ-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017303 1182640536 /nfs/dbraw/zinc/64/05/36/1182640536.db2.gz CBWRXGIZHODYGZ-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017303 1182640541 /nfs/dbraw/zinc/64/05/41/1182640541.db2.gz CBWRXGIZHODYGZ-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017303 1182640543 /nfs/dbraw/zinc/64/05/43/1182640543.db2.gz CBWRXGIZHODYGZ-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP Cc1cc(C2OCCO2)c(C)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC001461035948 1182759309 /nfs/dbraw/zinc/75/93/09/1182759309.db2.gz RAXQPOFFAWWEQH-UHFFFAOYSA-N 2 1 320.477 3.169 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC001461830753 1182865892 /nfs/dbraw/zinc/86/58/92/1182865892.db2.gz OOTSMMGTPMNPPR-FFZOFVMBSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(COc4ccccc4)c3)C[C@@H]2C1 ZINC001462173912 1182918616 /nfs/dbraw/zinc/91/86/16/1182918616.db2.gz WHOOHZBPQFDJPY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(COc4ccccc4)c3)C[C@@H]2C1 ZINC001462173912 1182918618 /nfs/dbraw/zinc/91/86/18/1182918618.db2.gz WHOOHZBPQFDJPY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(COc4ccccc4)c3)C[C@@H]2C1 ZINC001462173912 1182918623 /nfs/dbraw/zinc/91/86/23/1182918623.db2.gz WHOOHZBPQFDJPY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(COc4ccccc4)c3)C[C@@H]2C1 ZINC001462173912 1182918632 /nfs/dbraw/zinc/91/86/32/1182918632.db2.gz WHOOHZBPQFDJPY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC001462200689 1182921825 /nfs/dbraw/zinc/92/18/25/1182921825.db2.gz NUUJELUDJOAFKU-QGZVFWFLSA-N 2 1 320.452 3.388 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2CC[NH+](C)CC2)CC1)CC(C)C ZINC001462199883 1182922319 /nfs/dbraw/zinc/92/23/19/1182922319.db2.gz KVAGDXFQAVUYFK-UHFFFAOYSA-N 3 1 323.569 3.408 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462199273 1182922478 /nfs/dbraw/zinc/92/24/78/1182922478.db2.gz HAYJALZMPJNLRR-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462199273 1182922484 /nfs/dbraw/zinc/92/24/84/1182922484.db2.gz HAYJALZMPJNLRR-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001462199273 1182922489 /nfs/dbraw/zinc/92/24/89/1182922489.db2.gz HAYJALZMPJNLRR-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001462199273 1182922494 /nfs/dbraw/zinc/92/24/94/1182922494.db2.gz HAYJALZMPJNLRR-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001462222364 1182924897 /nfs/dbraw/zinc/92/48/97/1182924897.db2.gz NIKGMYDOYHHAGZ-NJAFHUGGSA-N 2 1 302.462 3.090 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001462222364 1182924900 /nfs/dbraw/zinc/92/49/00/1182924900.db2.gz NIKGMYDOYHHAGZ-NJAFHUGGSA-N 2 1 302.462 3.090 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[C@H]1C1CCCC1 ZINC001462666325 1182983258 /nfs/dbraw/zinc/98/32/58/1182983258.db2.gz MBBSFCQCCZHJBT-NEWSRXKRSA-N 2 1 306.494 3.046 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[C@@H]1C1CCCC1 ZINC001462666326 1182983643 /nfs/dbraw/zinc/98/36/43/1182983643.db2.gz MBBSFCQCCZHJBT-NZSAHSFTSA-N 2 1 306.494 3.046 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC001473174341 1183724096 /nfs/dbraw/zinc/72/40/96/1183724096.db2.gz SVRMFASLJZHLNY-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001473219314 1183732158 /nfs/dbraw/zinc/73/21/58/1183732158.db2.gz FECCNKIWPCYBNW-XDNAFOTISA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001473219314 1183732160 /nfs/dbraw/zinc/73/21/60/1183732160.db2.gz FECCNKIWPCYBNW-XDNAFOTISA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001473219314 1183732162 /nfs/dbraw/zinc/73/21/62/1183732162.db2.gz FECCNKIWPCYBNW-XDNAFOTISA-N 2 1 320.427 3.451 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473300164 1183741255 /nfs/dbraw/zinc/74/12/55/1183741255.db2.gz XPFIZIIMHGUECY-VQTJNVASSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473300164 1183741259 /nfs/dbraw/zinc/74/12/59/1183741259.db2.gz XPFIZIIMHGUECY-VQTJNVASSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473300164 1183741263 /nfs/dbraw/zinc/74/12/63/1183741263.db2.gz XPFIZIIMHGUECY-VQTJNVASSA-N 2 1 318.505 3.176 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@H](C)C1 ZINC001473406191 1183753662 /nfs/dbraw/zinc/75/36/62/1183753662.db2.gz FSIWMFFABHYJJA-CABCVRRESA-N 2 1 324.431 3.446 20 0 DGADMP Cc1ccc(F)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1F ZINC001473586668 1183778023 /nfs/dbraw/zinc/77/80/23/1183778023.db2.gz VPEAVHCJMJJFAW-UHFFFAOYSA-N 2 1 317.383 3.381 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1F ZINC001473586668 1183778025 /nfs/dbraw/zinc/77/80/25/1183778025.db2.gz VPEAVHCJMJJFAW-UHFFFAOYSA-N 2 1 317.383 3.381 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](COC)C(C)C ZINC001473690869 1183790433 /nfs/dbraw/zinc/79/04/33/1183790433.db2.gz OGNIQFUNWWQNFK-LJQANCHMSA-N 2 1 306.494 3.489 20 0 DGADMP CCc1ccc(CC[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC001473702657 1183791432 /nfs/dbraw/zinc/79/14/32/1183791432.db2.gz MBEIIZJCINKHDY-UHFFFAOYSA-N 2 1 318.505 3.082 20 0 DGADMP CC(C)C[N@@H+](CCOCC1CCCC1)CC1CC[NH+](C)CC1 ZINC001473739375 1183795324 /nfs/dbraw/zinc/79/53/24/1183795324.db2.gz QAGSXJXNZFJSNR-UHFFFAOYSA-N 2 1 310.526 3.493 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)C[C@H](c2ccccc2)C1(C)C ZINC001473745435 1183796525 /nfs/dbraw/zinc/79/65/25/1183796525.db2.gz NIVDFPLYGBGRAE-BHIYHBOVSA-N 2 1 318.505 3.344 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)C[C@H](c2ccccc2)C1(C)C ZINC001473745435 1183796527 /nfs/dbraw/zinc/79/65/27/1183796527.db2.gz NIVDFPLYGBGRAE-BHIYHBOVSA-N 2 1 318.505 3.344 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCN1c1cc[nH+]cc1 ZINC001473759884 1183800122 /nfs/dbraw/zinc/80/01/22/1183800122.db2.gz QPIQELYODIGWKA-KUHUBIRLSA-N 2 1 311.404 3.419 20 0 DGADMP Cc1ccc(C)c(C2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001473862654 1183814162 /nfs/dbraw/zinc/81/41/62/1183814162.db2.gz INFMEQHPRHWUQN-LJQANCHMSA-N 2 1 318.505 3.184 20 0 DGADMP Cc1ccc(C)c(C2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001473862654 1183814169 /nfs/dbraw/zinc/81/41/69/1183814169.db2.gz INFMEQHPRHWUQN-LJQANCHMSA-N 2 1 318.505 3.184 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001473927828 1183830452 /nfs/dbraw/zinc/83/04/52/1183830452.db2.gz GVEKPHMCQMDCBP-UHFFFAOYSA-N 2 1 318.383 3.448 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001473927828 1183830453 /nfs/dbraw/zinc/83/04/53/1183830453.db2.gz GVEKPHMCQMDCBP-UHFFFAOYSA-N 2 1 318.383 3.448 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2O1 ZINC001473935376 1183832465 /nfs/dbraw/zinc/83/24/65/1183832465.db2.gz CFUFFJQAFCNEDH-IXDOHACOSA-N 2 1 316.489 3.468 20 0 DGADMP CC[N@H+]1CCC[C@H](CN[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001473964950 1183839771 /nfs/dbraw/zinc/83/97/71/1183839771.db2.gz QKYKUGPKFCKTCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001473964950 1183839777 /nfs/dbraw/zinc/83/97/77/1183839777.db2.gz QKYKUGPKFCKTCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001473964950 1183839783 /nfs/dbraw/zinc/83/97/83/1183839783.db2.gz QKYKUGPKFCKTCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001473964950 1183839793 /nfs/dbraw/zinc/83/97/93/1183839793.db2.gz QKYKUGPKFCKTCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001473964950 1183839800 /nfs/dbraw/zinc/83/98/00/1183839800.db2.gz QKYKUGPKFCKTCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001474204939 1183881425 /nfs/dbraw/zinc/88/14/25/1183881425.db2.gz MXWTUGMNBJKMIL-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001474204938 1183881789 /nfs/dbraw/zinc/88/17/89/1183881789.db2.gz MXWTUGMNBJKMIL-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC001474297798 1183900202 /nfs/dbraw/zinc/90/02/02/1183900202.db2.gz HIDROIRWEOZZMJ-SJORKVTESA-N 2 1 316.489 3.405 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC001474302656 1183900946 /nfs/dbraw/zinc/90/09/46/1183900946.db2.gz CFMXTKRXADXGJO-OKZBNKHCSA-N 2 1 314.473 3.220 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCCc2ccccc2)CCOC)CC1 ZINC001474340136 1183906215 /nfs/dbraw/zinc/90/62/15/1183906215.db2.gz XJAXHWPSDWFFQK-UHFFFAOYSA-N 2 1 318.505 3.300 20 0 DGADMP Cc1cc(C)c2c(c1)CN(Cc1ccnn1-c1ccncc1)CC2 ZINC001474453766 1183924790 /nfs/dbraw/zinc/92/47/90/1183924790.db2.gz YRWINCXMGYUWPI-UHFFFAOYSA-N 2 1 318.424 3.442 20 0 DGADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001474488128 1183929048 /nfs/dbraw/zinc/92/90/48/1183929048.db2.gz YXASTLRXYPHFKX-QUCCMNQESA-N 2 1 316.489 3.303 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001474539512 1183937052 /nfs/dbraw/zinc/93/70/52/1183937052.db2.gz OHFYGCYMSJUPOW-GOSISDBHSA-N 2 1 322.880 3.445 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001474561717 1183940963 /nfs/dbraw/zinc/94/09/63/1183940963.db2.gz UMQCQKNLRRFABG-WSTZPKSXSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474561717 1183940966 /nfs/dbraw/zinc/94/09/66/1183940966.db2.gz UMQCQKNLRRFABG-WSTZPKSXSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474561717 1183940969 /nfs/dbraw/zinc/94/09/69/1183940969.db2.gz UMQCQKNLRRFABG-WSTZPKSXSA-N 2 1 317.521 3.358 20 0 DGADMP CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC001474646456 1183954419 /nfs/dbraw/zinc/95/44/19/1183954419.db2.gz DDITYANJSRUXNT-WMZOPIPTSA-N 2 1 318.509 3.090 20 0 DGADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC001474646456 1183954420 /nfs/dbraw/zinc/95/44/20/1183954420.db2.gz DDITYANJSRUXNT-WMZOPIPTSA-N 2 1 318.509 3.090 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC001479852554 1184350127 /nfs/dbraw/zinc/35/01/27/1184350127.db2.gz LKOOLEYYLZIQSH-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001479852554 1184350133 /nfs/dbraw/zinc/35/01/33/1184350133.db2.gz LKOOLEYYLZIQSH-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001479852554 1184350141 /nfs/dbraw/zinc/35/01/41/1184350141.db2.gz LKOOLEYYLZIQSH-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480695933 1184578473 /nfs/dbraw/zinc/57/84/73/1184578473.db2.gz RKQONJIXCWHQLL-CVEARBPZSA-N 2 1 323.525 3.066 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502518186 1185990717 /nfs/dbraw/zinc/99/07/17/1185990717.db2.gz PRNQFVSCAPTEDX-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001502932674 1186030967 /nfs/dbraw/zinc/03/09/67/1186030967.db2.gz GNRJNKGJRYXUBU-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001502932674 1186030971 /nfs/dbraw/zinc/03/09/71/1186030971.db2.gz GNRJNKGJRYXUBU-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001502932674 1186030976 /nfs/dbraw/zinc/03/09/76/1186030976.db2.gz GNRJNKGJRYXUBU-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCO1 ZINC001549180338 1186699779 /nfs/dbraw/zinc/69/97/79/1186699779.db2.gz QLFOSMNBOGLAAD-UHOSZYNNSA-N 2 1 308.510 3.149 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCO1 ZINC001549180337 1186699888 /nfs/dbraw/zinc/69/98/88/1186699888.db2.gz QLFOSMNBOGLAAD-QRQLOZEOSA-N 2 1 308.510 3.149 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC001615634941 1193525129 /nfs/dbraw/zinc/52/51/29/1193525129.db2.gz LFDLWGLJQJNYKF-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(Cl)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001615634941 1193525131 /nfs/dbraw/zinc/52/51/31/1193525131.db2.gz LFDLWGLJQJNYKF-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(Cl)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001615634941 1193525134 /nfs/dbraw/zinc/52/51/34/1193525134.db2.gz LFDLWGLJQJNYKF-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001616999711 1193554392 /nfs/dbraw/zinc/55/43/92/1193554392.db2.gz ZPHWMFYHXJTHNS-BWPNAZKDSA-N 2 1 316.489 3.159 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC001549087393 1188492626 /nfs/dbraw/zinc/49/26/26/1188492626.db2.gz IKKXTLBHQONYKI-QAPCUYQASA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC001549087393 1188492628 /nfs/dbraw/zinc/49/26/28/1188492628.db2.gz IKKXTLBHQONYKI-QAPCUYQASA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC001549087391 1188492868 /nfs/dbraw/zinc/49/28/68/1188492868.db2.gz IKKXTLBHQONYKI-CRAIPNDOSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC001549087391 1188492870 /nfs/dbraw/zinc/49/28/70/1188492870.db2.gz IKKXTLBHQONYKI-CRAIPNDOSA-N 2 1 313.470 3.371 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)oc21 ZINC001549088118 1188493781 /nfs/dbraw/zinc/49/37/81/1188493781.db2.gz HIGHNZALSOAOHB-RDTXWAMCSA-N 2 1 300.402 3.002 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001549583238 1188528001 /nfs/dbraw/zinc/52/80/01/1188528001.db2.gz DTNDQKYXRMDOMW-GFCCVEGCSA-N 2 1 305.809 3.159 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3Cc4ccccc4CO3)CC[NH2+]2)cc1 ZINC001549711876 1188534995 /nfs/dbraw/zinc/53/49/95/1188534995.db2.gz VQTCWTAABFWTNA-HBMCJLEFSA-N 2 1 322.452 3.211 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC001550099705 1188580773 /nfs/dbraw/zinc/58/07/73/1188580773.db2.gz SPPJRJJYJYXAQO-QRVBRYPASA-N 2 1 323.440 3.133 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC001550099705 1188580776 /nfs/dbraw/zinc/58/07/76/1188580776.db2.gz SPPJRJJYJYXAQO-QRVBRYPASA-N 2 1 323.440 3.133 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]C[C@H]2C)CC1 ZINC001550352877 1188609100 /nfs/dbraw/zinc/60/91/00/1188609100.db2.gz HIMKPFRQRTWPSU-BRWVUGGUSA-N 2 1 302.462 3.120 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O)c1cccs1 ZINC001550351074 1188609116 /nfs/dbraw/zinc/60/91/16/1188609116.db2.gz IEHLIAIQLQVBFO-CRCOGDFISA-N 2 1 322.518 3.269 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]C3CCCCCC3)C2)[C@H]1C(C)C ZINC001550356871 1188609935 /nfs/dbraw/zinc/60/99/35/1188609935.db2.gz YUTMSRDCYSBBMA-OKYOBFRVSA-N 2 1 308.510 3.169 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)C1 ZINC001550520996 1188618737 /nfs/dbraw/zinc/61/87/37/1188618737.db2.gz RINWNMLTCNMVMY-OAGGEKHMSA-N 2 1 303.450 3.138 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@]23CCCCO3)C1 ZINC001550521376 1188619248 /nfs/dbraw/zinc/61/92/48/1188619248.db2.gz HEHQRBBICALGBV-KYHPRHEASA-N 2 1 303.450 3.138 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540633 1188621994 /nfs/dbraw/zinc/62/19/94/1188621994.db2.gz IAENSGLWTJNSGE-OIISXLGYSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540633 1188621995 /nfs/dbraw/zinc/62/19/95/1188621995.db2.gz IAENSGLWTJNSGE-OIISXLGYSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540633 1188621996 /nfs/dbraw/zinc/62/19/96/1188621996.db2.gz IAENSGLWTJNSGE-OIISXLGYSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540633 1188621997 /nfs/dbraw/zinc/62/19/97/1188621997.db2.gz IAENSGLWTJNSGE-OIISXLGYSA-N 2 1 311.429 3.286 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)C[C@H]2C1 ZINC001550542924 1188622724 /nfs/dbraw/zinc/62/27/24/1188622724.db2.gz AWLBFFSTQUGIPF-LSDHHAIUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@H]2C1 ZINC001550542924 1188622725 /nfs/dbraw/zinc/62/27/25/1188622725.db2.gz AWLBFFSTQUGIPF-LSDHHAIUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@H]2C1 ZINC001550542924 1188622726 /nfs/dbraw/zinc/62/27/26/1188622726.db2.gz AWLBFFSTQUGIPF-LSDHHAIUSA-N 2 1 315.848 3.272 20 0 DGADMP CC(C)[C@@H]1CCO[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552162806 1188821460 /nfs/dbraw/zinc/82/14/60/1188821460.db2.gz PEPQULXKUPTDQS-FCGDIQPGSA-N 2 1 302.462 3.130 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@]34CCCO4)CC[NH2+]2)cc1 ZINC001552311895 1188835368 /nfs/dbraw/zinc/83/53/68/1188835368.db2.gz ASZNFBLJUFCLQQ-HCXYKTFWSA-N 2 1 300.446 3.171 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001552341154 1188837934 /nfs/dbraw/zinc/83/79/34/1188837934.db2.gz WZCHHQBFWFPJCD-FQEVSTJZSA-N 2 1 314.473 3.427 20 0 DGADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+](CC)CC ZINC001557982937 1189096023 /nfs/dbraw/zinc/09/60/23/1189096023.db2.gz WWIMCNMJIVVGPX-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001559689317 1189231862 /nfs/dbraw/zinc/23/18/62/1189231862.db2.gz MIALCQJLWVJPJD-RBUKOAKNSA-N 2 1 306.494 3.455 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001559689317 1189231866 /nfs/dbraw/zinc/23/18/66/1189231866.db2.gz MIALCQJLWVJPJD-RBUKOAKNSA-N 2 1 306.494 3.455 20 0 DGADMP Fc1ccc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1F ZINC001559943669 1189259966 /nfs/dbraw/zinc/25/99/66/1189259966.db2.gz KICRGWFLINOTJR-UHFFFAOYSA-N 2 1 317.383 3.115 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964152 1189263865 /nfs/dbraw/zinc/26/38/65/1189263865.db2.gz MNOQABIFQZWDDK-ROUUACIJSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964152 1189263867 /nfs/dbraw/zinc/26/38/67/1189263867.db2.gz MNOQABIFQZWDDK-ROUUACIJSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964152 1189263870 /nfs/dbraw/zinc/26/38/70/1189263870.db2.gz MNOQABIFQZWDDK-ROUUACIJSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964152 1189263873 /nfs/dbraw/zinc/26/38/73/1189263873.db2.gz MNOQABIFQZWDDK-ROUUACIJSA-N 2 1 324.896 3.050 20 0 DGADMP CCc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC001560055602 1189272223 /nfs/dbraw/zinc/27/22/23/1189272223.db2.gz GVIYWLUMADLPRU-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCCC[C@H]1O ZINC001560042897 1189272304 /nfs/dbraw/zinc/27/23/04/1189272304.db2.gz DRCJCEVNFALPEX-RTBURBONSA-N 2 1 304.478 3.121 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CCN1c1cc[nH+]cc1 ZINC001560109092 1189279996 /nfs/dbraw/zinc/27/99/96/1189279996.db2.gz SRCPLUUINARONE-MRXNPFEDSA-N 2 1 307.441 3.281 20 0 DGADMP CC(C)[NH+](CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC001560245583 1189298160 /nfs/dbraw/zinc/29/81/60/1189298160.db2.gz HSQLFEONUGCEKG-ICSRJNTNSA-N 2 1 317.521 3.215 20 0 DGADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1Cl ZINC001560349446 1189315639 /nfs/dbraw/zinc/31/56/39/1189315639.db2.gz KQGKZPAKNAOCKR-UHFFFAOYSA-N 2 1 307.825 3.424 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001560370746 1189319286 /nfs/dbraw/zinc/31/92/86/1189319286.db2.gz VWVZXYDUMKTKRI-UHFFFAOYSA-N 2 1 316.489 3.154 20 0 DGADMP Cc1cnc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC001560368066 1189319567 /nfs/dbraw/zinc/31/95/67/1189319567.db2.gz DJARXCZDAULLCL-AWEZNQCLSA-N 2 1 319.474 3.243 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566666439 1189850755 /nfs/dbraw/zinc/85/07/55/1189850755.db2.gz FROMCLCNGUBFLL-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566666439 1189850760 /nfs/dbraw/zinc/85/07/60/1189850760.db2.gz FROMCLCNGUBFLL-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566666439 1189850766 /nfs/dbraw/zinc/85/07/66/1189850766.db2.gz FROMCLCNGUBFLL-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001566922736 1189952396 /nfs/dbraw/zinc/95/23/96/1189952396.db2.gz CVRTWBKIPBICNX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001566922736 1189952400 /nfs/dbraw/zinc/95/24/00/1189952400.db2.gz CVRTWBKIPBICNX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001566922736 1189952406 /nfs/dbraw/zinc/95/24/06/1189952406.db2.gz CVRTWBKIPBICNX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001568651364 1190573431 /nfs/dbraw/zinc/57/34/31/1190573431.db2.gz PFCNDRKNFANESF-INIZCTEOSA-N 2 1 323.525 3.090 20 0 DGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1)C(C)C ZINC001620763512 1191443480 /nfs/dbraw/zinc/44/34/80/1191443480.db2.gz AGALZRZKCAPQQY-IAGOWNOFSA-N 2 1 312.498 3.208 20 0 DGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1)C(C)C ZINC001620763512 1191443481 /nfs/dbraw/zinc/44/34/81/1191443481.db2.gz AGALZRZKCAPQQY-IAGOWNOFSA-N 2 1 312.498 3.208 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001574799166 1191453118 /nfs/dbraw/zinc/45/31/18/1191453118.db2.gz CYVJQDDMYHLYPK-HNBVOPMISA-N 3 1 319.537 3.294 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001574799166 1191453120 /nfs/dbraw/zinc/45/31/20/1191453120.db2.gz CYVJQDDMYHLYPK-HNBVOPMISA-N 3 1 319.537 3.294 20 0 DGADMP CC(C)[C@H](C[NH3+])C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC001575423491 1191480438 /nfs/dbraw/zinc/48/04/38/1191480438.db2.gz VIKREUFYNWHZNW-SNVBAGLBSA-N 2 1 310.310 3.304 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC001575741385 1191505200 /nfs/dbraw/zinc/50/52/00/1191505200.db2.gz QDWLNZBVFNWTJT-CRAIPNDOSA-N 2 1 318.461 3.201 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH3+])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251121 1191549029 /nfs/dbraw/zinc/54/90/29/1191549029.db2.gz JRTMOTSPLNQFOU-DYESRHJHSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1cccc(C[NH3+])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001576251121 1191549031 /nfs/dbraw/zinc/54/90/31/1191549031.db2.gz JRTMOTSPLNQFOU-DYESRHJHSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1cccc(C[NH3+])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251121 1191549035 /nfs/dbraw/zinc/54/90/35/1191549035.db2.gz JRTMOTSPLNQFOU-DYESRHJHSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576300255 1191558033 /nfs/dbraw/zinc/55/80/33/1191558033.db2.gz CHGXKXPDCKXINM-CQSZACIVSA-N 2 1 317.408 3.021 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC3(CO1)CCCCC3)C2 ZINC001618053995 1193723025 /nfs/dbraw/zinc/72/30/25/1193723025.db2.gz AJJUYSXRKSOSEJ-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CC3(CO1)CCCCC3)C2 ZINC001618053995 1193723026 /nfs/dbraw/zinc/72/30/26/1193723026.db2.gz AJJUYSXRKSOSEJ-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CC3(CO1)CCCCC3)C2 ZINC001618053995 1193723030 /nfs/dbraw/zinc/72/30/30/1193723030.db2.gz AJJUYSXRKSOSEJ-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001620718791 1193794585 /nfs/dbraw/zinc/79/45/85/1193794585.db2.gz RLCWYDIJESLQID-UHFFFAOYSA-N 2 1 322.493 3.051 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001621245905 1193822821 /nfs/dbraw/zinc/82/28/21/1193822821.db2.gz ZZEPMDAIDPWMDY-SLFFLAALSA-N 2 1 316.489 3.168 20 0 DGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001621452870 1193844734 /nfs/dbraw/zinc/84/47/34/1193844734.db2.gz IUFJCZOSTHJUPC-UHFFFAOYSA-N 2 1 304.478 3.264 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1C ZINC001621457991 1193845086 /nfs/dbraw/zinc/84/50/86/1193845086.db2.gz TVGVANBIOVWLBF-CRAIPNDOSA-N 2 1 319.493 3.259 20 0 DGADMP CSC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001621513193 1193851757 /nfs/dbraw/zinc/85/17/57/1193851757.db2.gz GROHJEHNHYHQFE-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001621513193 1193851758 /nfs/dbraw/zinc/85/17/58/1193851758.db2.gz GROHJEHNHYHQFE-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001621513193 1193851763 /nfs/dbraw/zinc/85/17/63/1193851763.db2.gz GROHJEHNHYHQFE-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C12CCCCC2 ZINC001621569733 1193860304 /nfs/dbraw/zinc/86/03/04/1193860304.db2.gz CHURNLDVDZZGOJ-IECFSIQFSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001640638629 1194823125 /nfs/dbraw/zinc/82/31/25/1194823125.db2.gz DPXWIAGAGPZDOD-GOSISDBHSA-N 2 1 324.428 3.058 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1)CC(C)(C)C ZINC001641735149 1194869002 /nfs/dbraw/zinc/86/90/02/1194869002.db2.gz XVEBAWVRLYGYMS-GOSISDBHSA-N 2 1 306.494 3.236 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC001641735149 1194869005 /nfs/dbraw/zinc/86/90/05/1194869005.db2.gz XVEBAWVRLYGYMS-GOSISDBHSA-N 2 1 306.494 3.236 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)CC(C)(C)C ZINC001641735149 1194869000 /nfs/dbraw/zinc/86/90/00/1194869000.db2.gz XVEBAWVRLYGYMS-GOSISDBHSA-N 2 1 306.494 3.236 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641887311 1194878037 /nfs/dbraw/zinc/87/80/37/1194878037.db2.gz KSTLMGOFLZJIED-GOSISDBHSA-N 2 1 318.581 3.396 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641887311 1194878040 /nfs/dbraw/zinc/87/80/40/1194878040.db2.gz KSTLMGOFLZJIED-GOSISDBHSA-N 2 1 318.581 3.396 20 0 DGADMP CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001642380267 1194905523 /nfs/dbraw/zinc/90/55/23/1194905523.db2.gz GKIZFENTJSHRRE-LJQANCHMSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001642380267 1194905524 /nfs/dbraw/zinc/90/55/24/1194905524.db2.gz GKIZFENTJSHRRE-LJQANCHMSA-N 2 1 316.489 3.387 20 0 DGADMP CCOc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001644099676 1195081105 /nfs/dbraw/zinc/08/11/05/1195081105.db2.gz ZRNIWTZSAACOAP-KGLIPLIRSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001644099676 1195081108 /nfs/dbraw/zinc/08/11/08/1195081108.db2.gz ZRNIWTZSAACOAP-KGLIPLIRSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1cccc(Cl)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001644099676 1195081115 /nfs/dbraw/zinc/08/11/15/1195081115.db2.gz ZRNIWTZSAACOAP-KGLIPLIRSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1cccc(Cl)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001644099676 1195081120 /nfs/dbraw/zinc/08/11/20/1195081120.db2.gz ZRNIWTZSAACOAP-KGLIPLIRSA-N 2 1 308.853 3.122 20 0 DGADMP Cc1cc([C@H]2CCCC[N@@H+]2CCCCn2cc[nH+]c2C)[nH]n1 ZINC001644653644 1195124140 /nfs/dbraw/zinc/12/41/40/1195124140.db2.gz NDDBJSIWVBGITE-QGZVFWFLSA-N 2 1 301.438 3.230 20 0 DGADMP Cc1cc([C@H]2CCCC[N@H+]2CCCCn2cc[nH+]c2C)[nH]n1 ZINC001644653644 1195124141 /nfs/dbraw/zinc/12/41/41/1195124141.db2.gz NDDBJSIWVBGITE-QGZVFWFLSA-N 2 1 301.438 3.230 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CO2)CCCCC3)[C@@H](C)C1 ZINC001644793999 1195135006 /nfs/dbraw/zinc/13/50/06/1195135006.db2.gz AKXSLGFYEGYXTP-KSZLIROESA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC3(CO2)CCCCC3)[C@@H](C)C1 ZINC001644793999 1195135008 /nfs/dbraw/zinc/13/50/08/1195135008.db2.gz AKXSLGFYEGYXTP-KSZLIROESA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC3(CO2)CCCCC3)[C@@H](C)C1 ZINC001644793999 1195135011 /nfs/dbraw/zinc/13/50/11/1195135011.db2.gz AKXSLGFYEGYXTP-KSZLIROESA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001646461349 1195229781 /nfs/dbraw/zinc/22/97/81/1195229781.db2.gz CAONMVHPZQXXKK-OXQOHEQNSA-N 2 1 312.457 3.289 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001646461349 1195229783 /nfs/dbraw/zinc/22/97/83/1195229783.db2.gz CAONMVHPZQXXKK-OXQOHEQNSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](CC(C)C)C(=O)OC ZINC001647927102 1195265574 /nfs/dbraw/zinc/26/55/74/1195265574.db2.gz MFUNQXBDQYQLES-SFHVURJKSA-N 2 1 320.477 3.158 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](CC(C)C)C(=O)OC ZINC001647927102 1195265578 /nfs/dbraw/zinc/26/55/78/1195265578.db2.gz MFUNQXBDQYQLES-SFHVURJKSA-N 2 1 320.477 3.158 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCO[C@@H]2CCCCO2)CC1 ZINC001648027408 1195271270 /nfs/dbraw/zinc/27/12/70/1195271270.db2.gz RVAQOGDOBWGUMH-RTBURBONSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccs3)c2)CCO1 ZINC000063524493 1195298208 /nfs/dbraw/zinc/29/82/08/1195298208.db2.gz XTAQXLBEIIKPIZ-HNNXBMFYSA-N 2 1 316.470 3.259 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccs3)c2)CCO1 ZINC000063524493 1195298210 /nfs/dbraw/zinc/29/82/10/1195298210.db2.gz XTAQXLBEIIKPIZ-HNNXBMFYSA-N 2 1 316.470 3.259 20 0 DGADMP CC(C)CCC[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001648775625 1195330361 /nfs/dbraw/zinc/33/03/61/1195330361.db2.gz UDXYWKRNANEKMI-FQEVSTJZSA-N 2 1 317.521 3.391 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC001650172320 1195360038 /nfs/dbraw/zinc/36/00/38/1195360038.db2.gz AVJNDONSADJYDR-UHFFFAOYSA-N 2 1 301.438 3.241 20 0 DGADMP CC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccccc1F ZINC001650654399 1195369117 /nfs/dbraw/zinc/36/91/17/1195369117.db2.gz ZSAVAGKYBJRVCN-OAHLLOKOSA-N 2 1 317.408 3.234 20 0 DGADMP Cc1ccc2[nH]c(NCc3ccc(OCC[NH+](C)C)cc3)[nH+]c2c1 ZINC001651475325 1195467539 /nfs/dbraw/zinc/46/75/39/1195467539.db2.gz VZXPGAHLGOAPBA-UHFFFAOYSA-N 2 1 324.428 3.424 20 0 DGADMP CC[NH+](CC)CCN(Cc1ccccc1)c1cc(C)[nH+]c(C)n1 ZINC001651644679 1195489648 /nfs/dbraw/zinc/48/96/48/1195489648.db2.gz NOSICUFGOJRVCI-UHFFFAOYSA-N 2 1 312.461 3.442 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC001651875135 1195518662 /nfs/dbraw/zinc/51/86/62/1195518662.db2.gz OSEAKTLMCSXZBQ-VQIMIIECSA-N 2 1 302.462 3.180 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC001652389528 1195590405 /nfs/dbraw/zinc/59/04/05/1195590405.db2.gz CJZCXFQLOGCOKB-ROUUACIJSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000067223104 1195607998 /nfs/dbraw/zinc/60/79/98/1195607998.db2.gz YGNKZVNYZCJPSV-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000067223104 1195608003 /nfs/dbraw/zinc/60/80/03/1195608003.db2.gz YGNKZVNYZCJPSV-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001652519331 1195609707 /nfs/dbraw/zinc/60/97/07/1195609707.db2.gz MSIBEOKCBZOKNH-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001652519331 1195609711 /nfs/dbraw/zinc/60/97/11/1195609711.db2.gz MSIBEOKCBZOKNH-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001652519331 1195609715 /nfs/dbraw/zinc/60/97/15/1195609715.db2.gz MSIBEOKCBZOKNH-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001652519328 1195609805 /nfs/dbraw/zinc/60/98/05/1195609805.db2.gz MSIBEOKCBZOKNH-FGTMMUONSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001652519328 1195609809 /nfs/dbraw/zinc/60/98/09/1195609809.db2.gz MSIBEOKCBZOKNH-FGTMMUONSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001652519328 1195609812 /nfs/dbraw/zinc/60/98/12/1195609812.db2.gz MSIBEOKCBZOKNH-FGTMMUONSA-N 2 1 308.510 3.388 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683465 1195636515 /nfs/dbraw/zinc/63/65/15/1195636515.db2.gz XQJXMRJGMIUMOK-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683465 1195636519 /nfs/dbraw/zinc/63/65/19/1195636519.db2.gz XQJXMRJGMIUMOK-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683465 1195636523 /nfs/dbraw/zinc/63/65/23/1195636523.db2.gz XQJXMRJGMIUMOK-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683465 1195636525 /nfs/dbraw/zinc/63/65/25/1195636525.db2.gz XQJXMRJGMIUMOK-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC001652936583 1195672549 /nfs/dbraw/zinc/67/25/49/1195672549.db2.gz AYHFYCKHRSLSTQ-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC001652936583 1195672551 /nfs/dbraw/zinc/67/25/51/1195672551.db2.gz AYHFYCKHRSLSTQ-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001652998382 1195679223 /nfs/dbraw/zinc/67/92/23/1195679223.db2.gz MNAORFACCDMOQQ-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001652998382 1195679226 /nfs/dbraw/zinc/67/92/26/1195679226.db2.gz MNAORFACCDMOQQ-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC001653256077 1195704465 /nfs/dbraw/zinc/70/44/65/1195704465.db2.gz VEYDOYGPVATMNY-MOPGFXCFSA-N 2 1 310.526 3.349 20 0 DGADMP CCN(C[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001653286544 1195707302 /nfs/dbraw/zinc/70/73/02/1195707302.db2.gz QERSURXXYUTGPM-RLLQIKCJSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001653286544 1195707305 /nfs/dbraw/zinc/70/73/05/1195707305.db2.gz QERSURXXYUTGPM-RLLQIKCJSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001653286544 1195707310 /nfs/dbraw/zinc/70/73/10/1195707310.db2.gz QERSURXXYUTGPM-RLLQIKCJSA-N 2 1 315.505 3.238 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001653501016 1195728445 /nfs/dbraw/zinc/72/84/45/1195728445.db2.gz IVLUQMCVNJCKCB-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001653501016 1195728450 /nfs/dbraw/zinc/72/84/50/1195728450.db2.gz IVLUQMCVNJCKCB-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001653501016 1195728452 /nfs/dbraw/zinc/72/84/52/1195728452.db2.gz IVLUQMCVNJCKCB-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001653501018 1195728763 /nfs/dbraw/zinc/72/87/63/1195728763.db2.gz IVLUQMCVNJCKCB-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001653501018 1195728767 /nfs/dbraw/zinc/72/87/67/1195728767.db2.gz IVLUQMCVNJCKCB-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001653501018 1195728772 /nfs/dbraw/zinc/72/87/72/1195728772.db2.gz IVLUQMCVNJCKCB-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001653529706 1195731824 /nfs/dbraw/zinc/73/18/24/1195731824.db2.gz XBSUYFOMJNCXFY-OALUTQOASA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001653529706 1195731827 /nfs/dbraw/zinc/73/18/27/1195731827.db2.gz XBSUYFOMJNCXFY-OALUTQOASA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001653529706 1195731828 /nfs/dbraw/zinc/73/18/28/1195731828.db2.gz XBSUYFOMJNCXFY-OALUTQOASA-N 2 1 320.521 3.247 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1OC ZINC000069160442 1195776758 /nfs/dbraw/zinc/77/67/58/1195776758.db2.gz LNIBZKCMYBFYCS-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CC[C@H]1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)[C@@H]1C ZINC001654217958 1195784968 /nfs/dbraw/zinc/78/49/68/1195784968.db2.gz ICSDHRCLEZZIBA-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1([C@@H]3CCCCO3)CCC1)C2 ZINC001654511661 1195811154 /nfs/dbraw/zinc/81/11/54/1195811154.db2.gz WORUWWLQPWSKIM-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1([C@@H]3CCCCO3)CCC1)C2 ZINC001654511661 1195811157 /nfs/dbraw/zinc/81/11/57/1195811157.db2.gz WORUWWLQPWSKIM-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1([C@@H]3CCCCO3)CCC1)C2 ZINC001654511661 1195811160 /nfs/dbraw/zinc/81/11/60/1195811160.db2.gz WORUWWLQPWSKIM-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC2CCOCC2)CC1 ZINC001654512083 1195811367 /nfs/dbraw/zinc/81/13/67/1195811367.db2.gz HLXNUYUNQWRNIK-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP COC[C@@H](C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C(C)C ZINC001654515451 1195812217 /nfs/dbraw/zinc/81/22/17/1195812217.db2.gz OLLMKMNNHKMQJE-RTBURBONSA-N 2 1 310.526 3.491 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001654759818 1195836734 /nfs/dbraw/zinc/83/67/34/1195836734.db2.gz PUVRIMXKJBFKHC-ZWKOTPCHSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001654759818 1195836739 /nfs/dbraw/zinc/83/67/39/1195836739.db2.gz PUVRIMXKJBFKHC-ZWKOTPCHSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001654759818 1195836740 /nfs/dbraw/zinc/83/67/40/1195836740.db2.gz PUVRIMXKJBFKHC-ZWKOTPCHSA-N 2 1 308.510 3.411 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC001654838192 1195846649 /nfs/dbraw/zinc/84/66/49/1195846649.db2.gz OTGJIUAPVYMJDY-CABCVRRESA-N 2 1 309.404 3.418 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCCCC1(F)F ZINC001654838198 1195846661 /nfs/dbraw/zinc/84/66/61/1195846661.db2.gz OTGJIUAPVYMJDY-HUUCEWRRSA-N 2 1 309.404 3.418 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001655063402 1195871855 /nfs/dbraw/zinc/87/18/55/1195871855.db2.gz RMOSZZCUPATQNV-QGZVFWFLSA-N 2 1 313.445 3.156 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001655063402 1195871857 /nfs/dbraw/zinc/87/18/57/1195871857.db2.gz RMOSZZCUPATQNV-QGZVFWFLSA-N 2 1 313.445 3.156 20 0 DGADMP CC[C@@H](C[NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001655273521 1195897990 /nfs/dbraw/zinc/89/79/90/1195897990.db2.gz ABIABORTPGYQES-IBGZPJMESA-N 2 1 317.521 3.188 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001655291686 1195900477 /nfs/dbraw/zinc/90/04/77/1195900477.db2.gz WJHDWRSDXVYEKI-IXDOHACOSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001655291686 1195900479 /nfs/dbraw/zinc/90/04/79/1195900479.db2.gz WJHDWRSDXVYEKI-IXDOHACOSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC001655302132 1195901526 /nfs/dbraw/zinc/90/15/26/1195901526.db2.gz MDGPAPCLQRUMGZ-IAGOWNOFSA-N 2 1 318.509 3.141 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001655344033 1195905546 /nfs/dbraw/zinc/90/55/46/1195905546.db2.gz OZMFHCOPRRNDIY-MRXNPFEDSA-N 2 1 314.477 3.474 20 0 DGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC(C)(C)CO1 ZINC001655403630 1195913018 /nfs/dbraw/zinc/91/30/18/1195913018.db2.gz VHHCHTSTPCGYSD-SFHVURJKSA-N 2 1 310.526 3.491 20 0 DGADMP C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001655449286 1195919280 /nfs/dbraw/zinc/91/92/80/1195919280.db2.gz DRWXEZAKRJSWEW-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP CC(C)(C)OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001655528552 1195927546 /nfs/dbraw/zinc/92/75/46/1195927546.db2.gz AHQBBFQGNYZJCV-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)(C)OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001655528552 1195927549 /nfs/dbraw/zinc/92/75/49/1195927549.db2.gz AHQBBFQGNYZJCV-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)(C)OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001655528552 1195927553 /nfs/dbraw/zinc/92/75/53/1195927553.db2.gz AHQBBFQGNYZJCV-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001655560699 1195931574 /nfs/dbraw/zinc/93/15/74/1195931574.db2.gz MZKAZUKGEICPBO-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC001655762073 1195960627 /nfs/dbraw/zinc/96/06/27/1195960627.db2.gz LWNYHSMZASLINU-UHFFFAOYSA-N 2 1 304.482 3.135 20 0 DGADMP CC(C)n1c(CNCCC[N@@H+](C)C(C)C)nc2ccccc21 ZINC001656031295 1195989355 /nfs/dbraw/zinc/98/93/55/1195989355.db2.gz DTLKMVZRJAGVLD-UHFFFAOYSA-N 2 1 302.466 3.437 20 0 DGADMP COc1ccc(F)cc1CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001656059509 1195993527 /nfs/dbraw/zinc/99/35/27/1195993527.db2.gz IEUQHFRSWJXARX-GASCZTMLSA-N 2 1 308.441 3.292 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001656298808 1196028566 /nfs/dbraw/zinc/02/85/66/1196028566.db2.gz NXFIDUCVIPOFKH-AZUAARDMSA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001656298808 1196028568 /nfs/dbraw/zinc/02/85/68/1196028568.db2.gz NXFIDUCVIPOFKH-AZUAARDMSA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001656298808 1196028570 /nfs/dbraw/zinc/02/85/70/1196028570.db2.gz NXFIDUCVIPOFKH-AZUAARDMSA-N 2 1 312.457 3.411 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1cnn(C)c1C1CC1)C1CCCCC1 ZINC001656576403 1196051561 /nfs/dbraw/zinc/05/15/61/1196051561.db2.gz BKKVKANAIAIHEX-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1cnn(C)c1C1CC1)C1CCCCC1 ZINC001656576403 1196051565 /nfs/dbraw/zinc/05/15/65/1196051565.db2.gz BKKVKANAIAIHEX-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP CSc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001656702470 1196063954 /nfs/dbraw/zinc/06/39/54/1196063954.db2.gz OLAZBSREVZVRGJ-UHFFFAOYSA-N 2 1 322.518 3.388 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001656802021 1196072416 /nfs/dbraw/zinc/07/24/16/1196072416.db2.gz LHKJXBCWSGLSFD-KSZLIROESA-N 2 1 314.473 3.159 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1)CC2 ZINC001656947451 1196085811 /nfs/dbraw/zinc/08/58/11/1196085811.db2.gz YYVKPBHAQKROQB-FRQCXROJSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1)CC2 ZINC001656947451 1196085813 /nfs/dbraw/zinc/08/58/13/1196085813.db2.gz YYVKPBHAQKROQB-FRQCXROJSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001657148327 1196111326 /nfs/dbraw/zinc/11/13/26/1196111326.db2.gz CIPQIPIDSXUNNZ-YTQUADARSA-N 2 1 310.441 3.278 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001657148327 1196111329 /nfs/dbraw/zinc/11/13/29/1196111329.db2.gz CIPQIPIDSXUNNZ-YTQUADARSA-N 2 1 310.441 3.278 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000072727516 1196112250 /nfs/dbraw/zinc/11/22/50/1196112250.db2.gz SETLPYFUSTVRKP-VQIMIIECSA-N 2 1 302.462 3.187 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC001657192074 1196117253 /nfs/dbraw/zinc/11/72/53/1196117253.db2.gz BCISULJDMJWEFA-OALUTQOASA-N 2 1 310.526 3.493 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001657455726 1196143855 /nfs/dbraw/zinc/14/38/55/1196143855.db2.gz CVMBYOBGVHWGCL-QWFCFKBJSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001657455726 1196143862 /nfs/dbraw/zinc/14/38/62/1196143862.db2.gz CVMBYOBGVHWGCL-QWFCFKBJSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001657455726 1196143867 /nfs/dbraw/zinc/14/38/67/1196143867.db2.gz CVMBYOBGVHWGCL-QWFCFKBJSA-N 2 1 317.521 3.217 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483951 1196147678 /nfs/dbraw/zinc/14/76/78/1196147678.db2.gz ZTSWSCVFHBLVNI-KRWDZBQOSA-N 2 1 304.554 3.005 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483951 1196147681 /nfs/dbraw/zinc/14/76/81/1196147681.db2.gz ZTSWSCVFHBLVNI-KRWDZBQOSA-N 2 1 304.554 3.005 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483951 1196147683 /nfs/dbraw/zinc/14/76/83/1196147683.db2.gz ZTSWSCVFHBLVNI-KRWDZBQOSA-N 2 1 304.554 3.005 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001657483951 1196147685 /nfs/dbraw/zinc/14/76/85/1196147685.db2.gz ZTSWSCVFHBLVNI-KRWDZBQOSA-N 2 1 304.554 3.005 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC001657519297 1196150436 /nfs/dbraw/zinc/15/04/36/1196150436.db2.gz OTUNYCXOEJBJAE-MRXNPFEDSA-N 2 1 316.555 3.341 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc3c2OCC3)[C@H](c2ccccc2)C1 ZINC001657581110 1196157200 /nfs/dbraw/zinc/15/72/00/1196157200.db2.gz MPGDHHWLACJIBV-UXHICEINSA-N 2 1 322.452 3.057 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc3c2OCC3)[C@H](c2ccccc2)C1 ZINC001657581110 1196157203 /nfs/dbraw/zinc/15/72/03/1196157203.db2.gz MPGDHHWLACJIBV-UXHICEINSA-N 2 1 322.452 3.057 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001657744668 1196174932 /nfs/dbraw/zinc/17/49/32/1196174932.db2.gz SQMGYWFTJDDLAN-INIZCTEOSA-N 2 1 320.452 3.436 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001657744668 1196174933 /nfs/dbraw/zinc/17/49/33/1196174933.db2.gz SQMGYWFTJDDLAN-INIZCTEOSA-N 2 1 320.452 3.436 20 0 DGADMP CCc1ccc([C@H]2C[N@@H+](CC3CC[NH+](CC)CC3)CCO2)cc1 ZINC001657776895 1196177158 /nfs/dbraw/zinc/17/71/58/1196177158.db2.gz DETJRLAQKDJXLW-HXUWFJFHSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027763 1196204152 /nfs/dbraw/zinc/20/41/52/1196204152.db2.gz LTCLXDASGAHASS-CRAIPNDOSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027763 1196204155 /nfs/dbraw/zinc/20/41/55/1196204155.db2.gz LTCLXDASGAHASS-CRAIPNDOSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027763 1196204162 /nfs/dbraw/zinc/20/41/62/1196204162.db2.gz LTCLXDASGAHASS-CRAIPNDOSA-N 2 1 308.416 3.314 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210514 1196225547 /nfs/dbraw/zinc/22/55/47/1196225547.db2.gz YPGZOAJAZMCDRW-KRWDZBQOSA-N 2 1 315.505 3.433 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210514 1196225549 /nfs/dbraw/zinc/22/55/49/1196225549.db2.gz YPGZOAJAZMCDRW-KRWDZBQOSA-N 2 1 315.505 3.433 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210514 1196225552 /nfs/dbraw/zinc/22/55/52/1196225552.db2.gz YPGZOAJAZMCDRW-KRWDZBQOSA-N 2 1 315.505 3.433 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210514 1196225555 /nfs/dbraw/zinc/22/55/55/1196225555.db2.gz YPGZOAJAZMCDRW-KRWDZBQOSA-N 2 1 315.505 3.433 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC001658262678 1196232423 /nfs/dbraw/zinc/23/24/23/1196232423.db2.gz HQWXSTGYWZGFJI-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001658262678 1196232427 /nfs/dbraw/zinc/23/24/27/1196232427.db2.gz HQWXSTGYWZGFJI-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001658262678 1196232429 /nfs/dbraw/zinc/23/24/29/1196232429.db2.gz HQWXSTGYWZGFJI-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC001658262678 1196232431 /nfs/dbraw/zinc/23/24/31/1196232431.db2.gz HQWXSTGYWZGFJI-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC001658262678 1196232434 /nfs/dbraw/zinc/23/24/34/1196232434.db2.gz HQWXSTGYWZGFJI-YJBOKZPZSA-N 2 1 306.425 3.141 20 0 DGADMP CCn1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348538 1196245144 /nfs/dbraw/zinc/24/51/44/1196245144.db2.gz ZDRNOXJANMOPEP-SJLPKXTDSA-N 2 1 318.509 3.298 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001658438286 1196256794 /nfs/dbraw/zinc/25/67/94/1196256794.db2.gz PLJSNORNMMKIQR-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001658438286 1196256801 /nfs/dbraw/zinc/25/68/01/1196256801.db2.gz PLJSNORNMMKIQR-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP CCCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001658830584 1196307454 /nfs/dbraw/zinc/30/74/54/1196307454.db2.gz PQRLGTDZFVHWRH-MOPGFXCFSA-N 2 1 304.478 3.312 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC001659065595 1196340084 /nfs/dbraw/zinc/34/00/84/1196340084.db2.gz JEFXNWMDYNJLCI-HNNXBMFYSA-N 2 1 302.462 3.316 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001659384724 1196377994 /nfs/dbraw/zinc/37/79/94/1196377994.db2.gz DBVTVXJAPNHWJY-LJQANCHMSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@]1(C[NH2+]C[C@]2(C)CCCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001659634198 1196401060 /nfs/dbraw/zinc/40/10/60/1196401060.db2.gz WWLWZBZWBPHDTB-UXHICEINSA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001659674367 1196404318 /nfs/dbraw/zinc/40/43/18/1196404318.db2.gz LNKFIPCEZXDISU-HXUWFJFHSA-N 2 1 321.553 3.494 20 0 DGADMP COCC[N@@H+](CCc1cc(C)cc(C)c1)CC1CC[NH+](C)CC1 ZINC001659805007 1196415622 /nfs/dbraw/zinc/41/56/22/1196415622.db2.gz PBWUZDTVSNYEFH-UHFFFAOYSA-N 2 1 318.505 3.136 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001659917778 1196428242 /nfs/dbraw/zinc/42/82/42/1196428242.db2.gz GIVJYWRYCBPEEA-MRXNPFEDSA-N 2 1 311.429 3.109 20 0 DGADMP CCO[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+](C)C ZINC001659985298 1196434484 /nfs/dbraw/zinc/43/44/84/1196434484.db2.gz YBUHIQIPFBGXBG-RBUKOAKNSA-N 2 1 320.452 3.318 20 0 DGADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC001660379762 1196477178 /nfs/dbraw/zinc/47/71/78/1196477178.db2.gz DBBJJXDJSKTWMT-MJGOQNOKSA-N 2 1 308.510 3.293 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001660919085 1196541502 /nfs/dbraw/zinc/54/15/02/1196541502.db2.gz RIOOBEHTVVHOKP-GOSISDBHSA-N 2 1 309.457 3.092 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1F)C[NH+]1CCCC1 ZINC001660976634 1196548667 /nfs/dbraw/zinc/54/86/67/1196548667.db2.gz NTDQQTQNAYGWOA-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001661875288 1196655755 /nfs/dbraw/zinc/65/57/55/1196655755.db2.gz BRPGKMBXSJOKQF-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](C)c1ccccc1 ZINC001664590722 1197018323 /nfs/dbraw/zinc/01/83/23/1197018323.db2.gz AAYWIPGFDFZDSJ-QUCCMNQESA-N 2 1 317.521 3.138 20 0 DGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001665937952 1197219125 /nfs/dbraw/zinc/21/91/25/1197219125.db2.gz USDYQDNQZRJHQF-JQTVAJFFSA-N 2 1 314.473 3.117 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000378926284 1197702052 /nfs/dbraw/zinc/70/20/52/1197702052.db2.gz TXGOBFAPGISDTB-IEZWGBDMSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1OC(F)(F)F)C[NH+]1CCCC1 ZINC000393416509 1197719624 /nfs/dbraw/zinc/71/96/24/1197719624.db2.gz FUOWANZQTJOQHZ-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063571 1197723032 /nfs/dbraw/zinc/72/30/32/1197723032.db2.gz WZEQVMBHQWWVMY-OXQOHEQNSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063571 1197723037 /nfs/dbraw/zinc/72/30/37/1197723037.db2.gz WZEQVMBHQWWVMY-OXQOHEQNSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000300139528 1199343739 /nfs/dbraw/zinc/34/37/39/1199343739.db2.gz LZJFYUREEXXYEJ-STQMWFEESA-N 2 1 311.267 3.442 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000105449279 1199540910 /nfs/dbraw/zinc/54/09/10/1199540910.db2.gz BPSUCTRHMBIUMQ-UHFFFAOYSA-N 2 1 314.477 3.380 20 0 DGADMP CC[N@@H+](Cc1cc(Br)ccc1C)C1CC[NH2+]CC1 ZINC000313691106 1199773136 /nfs/dbraw/zinc/77/31/36/1199773136.db2.gz YEFZRJDVPGSEAS-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCO2 ZINC000315989492 1199811429 /nfs/dbraw/zinc/81/14/29/1199811429.db2.gz OVPLQPJQFZBYPX-TZUVLKIQSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCO2 ZINC000315989492 1199811434 /nfs/dbraw/zinc/81/14/34/1199811434.db2.gz OVPLQPJQFZBYPX-TZUVLKIQSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000317100070 1199822550 /nfs/dbraw/zinc/82/25/50/1199822550.db2.gz QFTZGOWDVGMAHN-UHFFFAOYSA-N 2 1 316.367 3.185 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000318582798 1199832587 /nfs/dbraw/zinc/83/25/87/1199832587.db2.gz DOLMXNKCEVXORP-APWZRJJASA-N 2 1 302.462 3.092 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000318656940 1199833877 /nfs/dbraw/zinc/83/38/77/1199833877.db2.gz YJLMEXUWDBZADT-CYBMUJFWSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000318656940 1199833878 /nfs/dbraw/zinc/83/38/78/1199833878.db2.gz YJLMEXUWDBZADT-CYBMUJFWSA-N 2 1 310.388 3.252 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344056 1199837184 /nfs/dbraw/zinc/83/71/84/1199837184.db2.gz RFXVJYLAPWUECG-MAUKXSAKSA-N 2 1 315.848 3.449 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344056 1199837193 /nfs/dbraw/zinc/83/71/93/1199837193.db2.gz RFXVJYLAPWUECG-MAUKXSAKSA-N 2 1 315.848 3.449 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000319694596 1199840539 /nfs/dbraw/zinc/84/05/39/1199840539.db2.gz RZEHTCVDIHGIRM-KDOFPFPSSA-N 2 1 315.848 3.449 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000120784690 1200170625 /nfs/dbraw/zinc/17/06/25/1200170625.db2.gz MWZQEMDUDLXOHT-GOSISDBHSA-N 2 1 320.525 3.368 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000120784690 1200170629 /nfs/dbraw/zinc/17/06/29/1200170629.db2.gz MWZQEMDUDLXOHT-GOSISDBHSA-N 2 1 320.525 3.368 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCSCC2)cc1F ZINC000121757586 1200231789 /nfs/dbraw/zinc/23/17/89/1200231789.db2.gz PMIUADJILDKJPP-UHFFFAOYSA-N 2 1 305.422 3.305 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000122823758 1200271333 /nfs/dbraw/zinc/27/13/33/1200271333.db2.gz YFSCWLWJILXCJX-VQIMIIECSA-N 2 1 302.462 3.187 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001690447267 1200563296 /nfs/dbraw/zinc/56/32/96/1200563296.db2.gz ZCWNZWOUYXLGTI-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001690447267 1200563306 /nfs/dbraw/zinc/56/33/06/1200563306.db2.gz ZCWNZWOUYXLGTI-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001690447267 1200563311 /nfs/dbraw/zinc/56/33/11/1200563311.db2.gz ZCWNZWOUYXLGTI-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755024964 1200587707 /nfs/dbraw/zinc/58/77/07/1200587707.db2.gz LZTBJVNQYRPGKS-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755024964 1200587710 /nfs/dbraw/zinc/58/77/10/1200587710.db2.gz LZTBJVNQYRPGKS-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024964 1200587716 /nfs/dbraw/zinc/58/77/16/1200587716.db2.gz LZTBJVNQYRPGKS-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001692118426 1200936229 /nfs/dbraw/zinc/93/62/29/1200936229.db2.gz OUNPEVCINRIWHD-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001700324434 1202237224 /nfs/dbraw/zinc/23/72/24/1202237224.db2.gz UTYDDNIVWCZQSM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001707194034 1202576041 /nfs/dbraw/zinc/57/60/41/1202576041.db2.gz DUQRMEVYYVOGSU-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001707194034 1202576042 /nfs/dbraw/zinc/57/60/42/1202576042.db2.gz DUQRMEVYYVOGSU-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001707194034 1202576043 /nfs/dbraw/zinc/57/60/43/1202576043.db2.gz DUQRMEVYYVOGSU-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001707203127 1202576523 /nfs/dbraw/zinc/57/65/23/1202576523.db2.gz GLEDGUBXLSJRJP-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001707203127 1202576524 /nfs/dbraw/zinc/57/65/24/1202576524.db2.gz GLEDGUBXLSJRJP-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001707203127 1202576525 /nfs/dbraw/zinc/57/65/25/1202576525.db2.gz GLEDGUBXLSJRJP-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153687831 1202596771 /nfs/dbraw/zinc/59/67/71/1202596771.db2.gz MFLQVPAGJBLQTK-DOTOQJQBSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153687831 1202596772 /nfs/dbraw/zinc/59/67/72/1202596772.db2.gz MFLQVPAGJBLQTK-DOTOQJQBSA-N 2 1 302.462 3.233 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154843440 1202598098 /nfs/dbraw/zinc/59/80/98/1202598098.db2.gz HUYVXRNDFMSOTA-UHFFFAOYSA-N 2 1 319.474 3.485 20 0 DGADMP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000236657299 1202617257 /nfs/dbraw/zinc/61/72/57/1202617257.db2.gz AFCYYLLJOMFYRG-UHFFFAOYSA-N 2 1 301.434 3.421 20 0 DGADMP CCCOc1cc(C[NH2+]C2CCN(CC)CC2)ccc1OC ZINC000236774177 1202624402 /nfs/dbraw/zinc/62/44/02/1202624402.db2.gz GYFAGUHHVCREHY-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC000236774177 1202624403 /nfs/dbraw/zinc/62/44/03/1202624403.db2.gz GYFAGUHHVCREHY-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C)C3)cc2)CC1 ZINC000236963295 1202638625 /nfs/dbraw/zinc/63/86/25/1202638625.db2.gz LJLROLWMWRMCOK-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001713430998 1202649355 /nfs/dbraw/zinc/64/93/55/1202649355.db2.gz GQWGWPIQESBGFE-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713430998 1202649356 /nfs/dbraw/zinc/64/93/56/1202649356.db2.gz GQWGWPIQESBGFE-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713430998 1202649357 /nfs/dbraw/zinc/64/93/57/1202649357.db2.gz GQWGWPIQESBGFE-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000237188890 1202655142 /nfs/dbraw/zinc/65/51/42/1202655142.db2.gz TUQYFZVWNNSGTR-CQSZACIVSA-N 2 1 306.450 3.227 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000237521051 1202675904 /nfs/dbraw/zinc/67/59/04/1202675904.db2.gz KFFWPYUYGNYUJJ-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC000259145500 1203415937 /nfs/dbraw/zinc/41/59/37/1203415937.db2.gz UTCITQAZYTYZER-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC000259145500 1203415940 /nfs/dbraw/zinc/41/59/40/1203415940.db2.gz UTCITQAZYTYZER-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP CCC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CCCCCC1 ZINC001723641237 1203987244 /nfs/dbraw/zinc/98/72/44/1203987244.db2.gz UNMVIASODCDTKT-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CCCCCC1 ZINC001723641237 1203987247 /nfs/dbraw/zinc/98/72/47/1203987247.db2.gz UNMVIASODCDTKT-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CCCCCC1 ZINC001723641237 1203987249 /nfs/dbraw/zinc/98/72/49/1203987249.db2.gz UNMVIASODCDTKT-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001725398760 1204145280 /nfs/dbraw/zinc/14/52/80/1204145280.db2.gz ABSUWALOKYEIHA-FUHWJXTLSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001725398755 1204145329 /nfs/dbraw/zinc/14/53/29/1204145329.db2.gz ABSUWALOKYEIHA-AEFFLSMTSA-N 2 1 323.525 3.066 20 0 DGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001731487387 1204428748 /nfs/dbraw/zinc/42/87/48/1204428748.db2.gz IDNKQDYWMKWNPT-KSZLIROESA-N 2 1 323.525 3.066 20 0 DGADMP Cc1cccc2cc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c12 ZINC001164775524 721300825 /nfs/dbraw/zinc/30/08/25/721300825.db2.gz YPLMEHVYQZIIQP-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1cccc2cc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c12 ZINC001164775524 721300830 /nfs/dbraw/zinc/30/08/30/721300830.db2.gz YPLMEHVYQZIIQP-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001256214185 1106391966 /nfs/dbraw/zinc/39/19/66/1106391966.db2.gz ICBNZTNPBYNOML-QWHCGFSZSA-N 2 1 313.283 3.297 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(NCC[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC001169562532 1081592362 /nfs/dbraw/zinc/59/23/62/1081592362.db2.gz FYFFHMKGNWMYGP-GOSISDBHSA-N 2 1 314.477 3.053 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206769419 1081622078 /nfs/dbraw/zinc/62/20/78/1081622078.db2.gz PCTWRZZFKDAPAW-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206769419 1081622082 /nfs/dbraw/zinc/62/20/82/1081622082.db2.gz PCTWRZZFKDAPAW-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618066 1081638051 /nfs/dbraw/zinc/63/80/51/1081638051.db2.gz RLAPNTIIDIWPSI-CYBMUJFWSA-N 2 1 312.379 3.405 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618066 1081638053 /nfs/dbraw/zinc/63/80/53/1081638053.db2.gz RLAPNTIIDIWPSI-CYBMUJFWSA-N 2 1 312.379 3.405 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618066 1081638054 /nfs/dbraw/zinc/63/80/54/1081638054.db2.gz RLAPNTIIDIWPSI-CYBMUJFWSA-N 2 1 312.379 3.405 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618066 1081638056 /nfs/dbraw/zinc/63/80/56/1081638056.db2.gz RLAPNTIIDIWPSI-CYBMUJFWSA-N 2 1 312.379 3.405 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169959606 1081685110 /nfs/dbraw/zinc/68/51/10/1081685110.db2.gz PDLUKKNDJVRIBN-OKZBNKHCSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169959606 1081685112 /nfs/dbraw/zinc/68/51/12/1081685112.db2.gz PDLUKKNDJVRIBN-OKZBNKHCSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169959606 1081685115 /nfs/dbraw/zinc/68/51/15/1081685115.db2.gz PDLUKKNDJVRIBN-OKZBNKHCSA-N 2 1 322.493 3.011 20 0 DGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC1=CCCCC1 ZINC001156530085 1081743011 /nfs/dbraw/zinc/74/30/11/1081743011.db2.gz KHKXMTKJSPXVFB-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC1=CCCCC1 ZINC001156530085 1081743014 /nfs/dbraw/zinc/74/30/14/1081743014.db2.gz KHKXMTKJSPXVFB-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1=CCCCC1 ZINC001156530085 1081743020 /nfs/dbraw/zinc/74/30/20/1081743020.db2.gz KHKXMTKJSPXVFB-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C2 ZINC001169978626 1081767273 /nfs/dbraw/zinc/76/72/73/1081767273.db2.gz YTIIXFDUQNAVDI-RBVVOMGSSA-N 2 1 309.498 3.002 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C2 ZINC001169978626 1081767278 /nfs/dbraw/zinc/76/72/78/1081767278.db2.gz YTIIXFDUQNAVDI-RBVVOMGSSA-N 2 1 309.498 3.002 20 0 DGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002822 1081945794 /nfs/dbraw/zinc/94/57/94/1081945794.db2.gz WMRQBNRLPAGTFN-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCc1ccc([C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC001170037955 1081947160 /nfs/dbraw/zinc/94/71/60/1081947160.db2.gz BMPXDWFHDWTQFS-VQTJNVASSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC001170037955 1081947163 /nfs/dbraw/zinc/94/71/63/1081947163.db2.gz BMPXDWFHDWTQFS-VQTJNVASSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001170037955 1081947165 /nfs/dbraw/zinc/94/71/65/1081947165.db2.gz BMPXDWFHDWTQFS-VQTJNVASSA-N 2 1 318.505 3.130 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3nccs3)CC2)CC1 ZINC001204549058 1082124975 /nfs/dbraw/zinc/12/49/75/1082124975.db2.gz CZSUSYHMPKJYDR-UHFFFAOYSA-N 2 1 307.507 3.477 20 0 DGADMP [NH3+]Cc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC001170333942 1082348512 /nfs/dbraw/zinc/34/85/12/1082348512.db2.gz ZZKLBQARZWILMT-VJDPLVQDSA-N 2 1 322.456 3.148 20 0 DGADMP CCC[NH+](CCC)CC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411870 1082370615 /nfs/dbraw/zinc/37/06/15/1082370615.db2.gz NDNJUHKLNKVRHD-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170413120 1082370762 /nfs/dbraw/zinc/37/07/62/1082370762.db2.gz USODKBGPRZLZLM-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170413120 1082370765 /nfs/dbraw/zinc/37/07/65/1082370765.db2.gz USODKBGPRZLZLM-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001170444924 1082460323 /nfs/dbraw/zinc/46/03/23/1082460323.db2.gz VOGRGWIKHSIYGD-QGZVFWFLSA-N 2 1 318.461 3.010 20 0 DGADMP Brc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000707910249 1082467049 /nfs/dbraw/zinc/46/70/49/1082467049.db2.gz YYWYSDOFWKLQTO-GFCCVEGCSA-N 2 1 309.251 3.154 20 0 DGADMP Brc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000707910249 1082467054 /nfs/dbraw/zinc/46/70/54/1082467054.db2.gz YYWYSDOFWKLQTO-GFCCVEGCSA-N 2 1 309.251 3.154 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001207275294 1082481433 /nfs/dbraw/zinc/48/14/33/1082481433.db2.gz LQFMAPVEZMNTCQ-UHFFFAOYSA-N 2 1 317.399 3.163 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001207275294 1082481436 /nfs/dbraw/zinc/48/14/36/1082481436.db2.gz LQFMAPVEZMNTCQ-UHFFFAOYSA-N 2 1 317.399 3.163 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001204604697 1082668011 /nfs/dbraw/zinc/66/80/11/1082668011.db2.gz VVGKETTVGVEFOF-MAUKXSAKSA-N 2 1 322.443 3.432 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269587 1082863876 /nfs/dbraw/zinc/86/38/76/1082863876.db2.gz MFKDMHQDMKRAAQ-MZIIKBMYSA-N 2 1 323.525 3.044 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001207398618 1082911016 /nfs/dbraw/zinc/91/10/16/1082911016.db2.gz CTYOZDUTZGKUSQ-QGZVFWFLSA-N 2 1 308.466 3.257 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001207398869 1082911295 /nfs/dbraw/zinc/91/12/95/1082911295.db2.gz RWDWLDPPDCHBKW-GOSISDBHSA-N 2 1 322.880 3.229 20 0 DGADMP Cc1cc(C[N@H+](C)C2CCN(C)CC2)cc(OC(F)(F)F)c1 ZINC001143462258 1082930701 /nfs/dbraw/zinc/93/07/01/1082930701.db2.gz FSYCWOBMIVBMLD-UHFFFAOYSA-N 2 1 316.367 3.420 20 0 DGADMP Cc1cc(CN(C)C2CC[NH+](C)CC2)cc(OC(F)(F)F)c1 ZINC001143462258 1082930702 /nfs/dbraw/zinc/93/07/02/1082930702.db2.gz FSYCWOBMIVBMLD-UHFFFAOYSA-N 2 1 316.367 3.420 20 0 DGADMP [NH2+]=C(Nc1cnc2[nH]c(-c3ccccc3)cc2c1)SCC[NH3+] ZINC001167913687 1082936488 /nfs/dbraw/zinc/93/64/88/1082936488.db2.gz CSGSAUAYYLTQRU-UHFFFAOYSA-N 2 1 311.414 3.268 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548821 1082942926 /nfs/dbraw/zinc/94/29/26/1082942926.db2.gz JOTFCLPYLNNYMB-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+]CCN(c1cccn2c[nH+]cc12)C12CC3CC(CC(C3)C1)C2 ZINC001170630501 1082986565 /nfs/dbraw/zinc/98/65/65/1082986565.db2.gz OSXCLAPNLOGMHW-UHFFFAOYSA-N 2 1 310.445 3.068 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170667493 1083070373 /nfs/dbraw/zinc/07/03/73/1083070373.db2.gz WAEREULBUDCNAM-JLSDUUJJSA-N 2 1 308.416 3.285 20 0 DGADMP Cc1ccc([C@H](C)Nc2[nH+]cccc2N2CC[NH2+]CC2)c(C)c1 ZINC001170723160 1083232811 /nfs/dbraw/zinc/23/28/11/1083232811.db2.gz LLWGMGZMXGKCOS-INIZCTEOSA-N 2 1 310.445 3.281 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001143493891 1083238344 /nfs/dbraw/zinc/23/83/44/1083238344.db2.gz MXCYCNBHZMAMLC-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001143493891 1083238349 /nfs/dbraw/zinc/23/83/49/1083238349.db2.gz MXCYCNBHZMAMLC-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001143494875 1083240801 /nfs/dbraw/zinc/24/08/01/1083240801.db2.gz BJTGTSHFYYEOTF-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748036 1083278709 /nfs/dbraw/zinc/27/87/09/1083278709.db2.gz WZILJFIWOPSNOL-GNBUJSLZSA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748036 1083278712 /nfs/dbraw/zinc/27/87/12/1083278712.db2.gz WZILJFIWOPSNOL-GNBUJSLZSA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748036 1083278714 /nfs/dbraw/zinc/27/87/14/1083278714.db2.gz WZILJFIWOPSNOL-GNBUJSLZSA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748036 1083278717 /nfs/dbraw/zinc/27/87/17/1083278717.db2.gz WZILJFIWOPSNOL-GNBUJSLZSA-N 2 1 320.521 3.244 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CCC[C@H](C)C1 ZINC001181489424 1083476257 /nfs/dbraw/zinc/47/62/57/1083476257.db2.gz YOPBURNKJMAOKD-GBESFXJTSA-N 2 1 309.542 3.161 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000398029003 1083637388 /nfs/dbraw/zinc/63/73/88/1083637388.db2.gz MSVATTLHLGOJMP-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000398029003 1083637390 /nfs/dbraw/zinc/63/73/90/1083637390.db2.gz MSVATTLHLGOJMP-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP Cn1cccc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203266144 1083901777 /nfs/dbraw/zinc/90/17/77/1083901777.db2.gz WAIPHNOGKVIJSD-UHFFFAOYSA-N 2 1 311.473 3.369 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001205263604 1083911385 /nfs/dbraw/zinc/91/13/85/1083911385.db2.gz AGCOPOIIBLXHQS-CQSZACIVSA-N 2 1 302.340 3.289 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCC1 ZINC001268039838 1083942218 /nfs/dbraw/zinc/94/22/18/1083942218.db2.gz PBJRFRULMVAGQK-KRWDZBQOSA-N 2 1 323.525 3.068 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC001183512227 1083965752 /nfs/dbraw/zinc/96/57/52/1083965752.db2.gz ZWUBXLWRIFHYNZ-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205281051 1084023710 /nfs/dbraw/zinc/02/37/10/1084023710.db2.gz OWERNXWKZRXGGP-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205281051 1084023718 /nfs/dbraw/zinc/02/37/18/1084023718.db2.gz OWERNXWKZRXGGP-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(OC(C)C)c1 ZINC001205289465 1084090756 /nfs/dbraw/zinc/09/07/56/1084090756.db2.gz YAKQORCTFOWDBL-SFHVURJKSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OC(C)C)c1 ZINC001205289465 1084090766 /nfs/dbraw/zinc/09/07/66/1084090766.db2.gz YAKQORCTFOWDBL-SFHVURJKSA-N 2 1 306.450 3.186 20 0 DGADMP CC[C@H]1[N@H+]([C@@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2 ZINC001167823188 1084106332 /nfs/dbraw/zinc/10/63/32/1084106332.db2.gz JOWMTPFAABRQMT-SCTDSRPQSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001167825166 1084116435 /nfs/dbraw/zinc/11/64/35/1084116435.db2.gz GMLTYSLELUQNIE-SJLPKXTDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001167827122 1084120122 /nfs/dbraw/zinc/12/01/22/1084120122.db2.gz SZSCXZBSBCCBOL-ZBFHGGJFSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001167827122 1084120132 /nfs/dbraw/zinc/12/01/32/1084120132.db2.gz SZSCXZBSBCCBOL-ZBFHGGJFSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001167833435 1084143628 /nfs/dbraw/zinc/14/36/28/1084143628.db2.gz BIKFFVPWYUARDV-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001167838441 1084162165 /nfs/dbraw/zinc/16/21/65/1084162165.db2.gz UQTUEFORVIZVQB-KRWDZBQOSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001167838441 1084162169 /nfs/dbraw/zinc/16/21/69/1084162169.db2.gz UQTUEFORVIZVQB-KRWDZBQOSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cnc(SC)nc2C1 ZINC001167840121 1084167777 /nfs/dbraw/zinc/16/77/77/1084167777.db2.gz DXDUADLEDLYGTG-AWEZNQCLSA-N 2 1 322.522 3.067 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001167840323 1084169353 /nfs/dbraw/zinc/16/93/53/1084169353.db2.gz FBPNTKMIWXQVQZ-HNNXBMFYSA-N 2 1 318.461 3.299 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305878 1084239562 /nfs/dbraw/zinc/23/95/62/1084239562.db2.gz TVQIANFCMWKYDZ-CMPLNLGQSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305878 1084239572 /nfs/dbraw/zinc/23/95/72/1084239572.db2.gz TVQIANFCMWKYDZ-CMPLNLGQSA-N 2 1 304.331 3.261 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205306600 1084250582 /nfs/dbraw/zinc/25/05/82/1084250582.db2.gz YCPPCROROCGWCN-TZMCWYRMSA-N 2 1 316.367 3.310 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001184874575 1084283787 /nfs/dbraw/zinc/28/37/87/1084283787.db2.gz RANISVUFVNVAMX-ZDUSSCGKSA-N 2 1 315.383 3.446 20 0 DGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167911248 1084621278 /nfs/dbraw/zinc/62/12/78/1084621278.db2.gz AUXJAGWCIDYTIN-AKPDSDTMSA-N 2 1 316.448 3.361 20 0 DGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167911250 1084621565 /nfs/dbraw/zinc/62/15/65/1084621565.db2.gz AUXJAGWCIDYTIN-AKPJWKAHSA-N 2 1 316.448 3.361 20 0 DGADMP CC(C)(O)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167965374 1085853696 /nfs/dbraw/zinc/85/36/96/1085853696.db2.gz DAYVFIFSYFONNI-GSWHEVMTSA-N 2 1 320.521 3.311 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCC2(COC2)CC1 ZINC001167965429 1085854332 /nfs/dbraw/zinc/85/43/32/1085854332.db2.gz FIGUTQLMLPNTCH-YQQQUEKLSA-N 2 1 318.505 3.188 20 0 DGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742245 1085889441 /nfs/dbraw/zinc/88/94/41/1085889441.db2.gz LCHRMFVDAIUJPO-UHFFFAOYSA-N 2 1 318.852 3.182 20 0 DGADMP [NH3+]Cc1ccc2cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)nc2c1 ZINC001167971584 1085905624 /nfs/dbraw/zinc/90/56/24/1085905624.db2.gz ZNMRRNXMXXOXQC-JWTNVVGKSA-N 2 1 310.445 3.073 20 0 DGADMP C(COC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974281 1085914073 /nfs/dbraw/zinc/91/40/73/1085914073.db2.gz UFZSJWPLOMUNRI-AYHJJNSGSA-N 2 1 306.494 3.331 20 0 DGADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167977824 1085929097 /nfs/dbraw/zinc/92/90/97/1085929097.db2.gz FRKHUAGXDXTFRI-AYHJJNSGSA-N 2 1 306.494 3.188 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC(OC3CCC3)CC1)C2 ZINC001167983824 1085939106 /nfs/dbraw/zinc/93/91/06/1085939106.db2.gz ITHNVPVBNONRIV-JWTNVVGKSA-N 2 1 318.505 3.425 20 0 DGADMP CC1(C[N@@H+]2Cc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000713221502 1086018211 /nfs/dbraw/zinc/01/82/11/1086018211.db2.gz QBLSSLIOCPCKBS-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP CC1(C[N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000713221502 1086018222 /nfs/dbraw/zinc/01/82/22/1086018222.db2.gz QBLSSLIOCPCKBS-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP COC[C@@]12CCC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167988986 1086032578 /nfs/dbraw/zinc/03/25/78/1086032578.db2.gz RKAGTEFGUIPCGC-QDSUGMFFSA-N 2 1 318.505 3.140 20 0 DGADMP COC[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988986 1086032593 /nfs/dbraw/zinc/03/25/93/1086032593.db2.gz RKAGTEFGUIPCGC-QDSUGMFFSA-N 2 1 318.505 3.140 20 0 DGADMP COC[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988986 1086032604 /nfs/dbraw/zinc/03/26/04/1086032604.db2.gz RKAGTEFGUIPCGC-QDSUGMFFSA-N 2 1 318.505 3.140 20 0 DGADMP C(OC[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1)C1CC1 ZINC001167995166 1086059517 /nfs/dbraw/zinc/05/95/17/1086059517.db2.gz YECDQYZQHPCDBP-WRURNZQNSA-N 2 1 318.505 3.140 20 0 DGADMP C(OC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C1CC1 ZINC001167995166 1086059528 /nfs/dbraw/zinc/05/95/28/1086059528.db2.gz YECDQYZQHPCDBP-WRURNZQNSA-N 2 1 318.505 3.140 20 0 DGADMP C(OC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C1CC1 ZINC001167995166 1086059541 /nfs/dbraw/zinc/05/95/41/1086059541.db2.gz YECDQYZQHPCDBP-WRURNZQNSA-N 2 1 318.505 3.140 20 0 DGADMP C[N@@H+](CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995479 1086063041 /nfs/dbraw/zinc/06/30/41/1086063041.db2.gz GYPXEFUICIXRFE-DFNIBXOVSA-N 2 1 314.473 3.403 20 0 DGADMP C[NH+](CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995479 1086063050 /nfs/dbraw/zinc/06/30/50/1086063050.db2.gz GYPXEFUICIXRFE-DFNIBXOVSA-N 2 1 314.473 3.403 20 0 DGADMP C[NH+](CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995479 1086063059 /nfs/dbraw/zinc/06/30/59/1086063059.db2.gz GYPXEFUICIXRFE-DFNIBXOVSA-N 2 1 314.473 3.403 20 0 DGADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCOC3(CCCCC3)C1)C2 ZINC001168003547 1086123977 /nfs/dbraw/zinc/12/39/77/1086123977.db2.gz PEIINNORPSJJER-DFNIBXOVSA-N 2 1 318.505 3.427 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCOC3(CCCCC3)C1)C2 ZINC001168003547 1086123982 /nfs/dbraw/zinc/12/39/82/1086123982.db2.gz PEIINNORPSJJER-DFNIBXOVSA-N 2 1 318.505 3.427 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCOC3(CCCCC3)C1)C2 ZINC001168003547 1086123987 /nfs/dbraw/zinc/12/39/87/1086123987.db2.gz PEIINNORPSJJER-DFNIBXOVSA-N 2 1 318.505 3.427 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCOC3(CCCCC3)C1)C2 ZINC001168003547 1086123990 /nfs/dbraw/zinc/12/39/90/1086123990.db2.gz PEIINNORPSJJER-DFNIBXOVSA-N 2 1 318.505 3.427 20 0 DGADMP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001482446201 1086207541 /nfs/dbraw/zinc/20/75/41/1086207541.db2.gz QQKZAPXFQSUBHW-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011011 1086209938 /nfs/dbraw/zinc/20/99/38/1086209938.db2.gz MDTUXHAGRXYJFQ-NBMJBFSESA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011022 1086211919 /nfs/dbraw/zinc/21/19/19/1086211919.db2.gz MDYUQJWDYSFAEO-VBYALHQYSA-N 2 1 318.505 3.425 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018817 1086334700 /nfs/dbraw/zinc/33/47/00/1086334700.db2.gz FESRTIWVXIHBCS-CSFFLVESSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018817 1086334707 /nfs/dbraw/zinc/33/47/07/1086334707.db2.gz FESRTIWVXIHBCS-CSFFLVESSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](O)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168039022 1086497076 /nfs/dbraw/zinc/49/70/76/1086497076.db2.gz AYCQSCRRAVNUJB-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H](O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039022 1086497082 /nfs/dbraw/zinc/49/70/82/1086497082.db2.gz AYCQSCRRAVNUJB-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039022 1086497089 /nfs/dbraw/zinc/49/70/89/1086497089.db2.gz AYCQSCRRAVNUJB-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039022 1086497091 /nfs/dbraw/zinc/49/70/91/1086497091.db2.gz AYCQSCRRAVNUJB-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039022 1086497096 /nfs/dbraw/zinc/49/70/96/1086497096.db2.gz AYCQSCRRAVNUJB-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C[C@@H]1O ZINC001168040252 1086502599 /nfs/dbraw/zinc/50/25/99/1086502599.db2.gz LRKSOXSSMKNKRK-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1O ZINC001168040252 1086502601 /nfs/dbraw/zinc/50/26/01/1086502601.db2.gz LRKSOXSSMKNKRK-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1O ZINC001168040252 1086502606 /nfs/dbraw/zinc/50/26/06/1086502606.db2.gz LRKSOXSSMKNKRK-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1O ZINC001168040252 1086502612 /nfs/dbraw/zinc/50/26/12/1086502612.db2.gz LRKSOXSSMKNKRK-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1O ZINC001168040252 1086502619 /nfs/dbraw/zinc/50/26/19/1086502619.db2.gz LRKSOXSSMKNKRK-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP CCN(CC[NH+](C)C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040764 1086503035 /nfs/dbraw/zinc/50/30/35/1086503035.db2.gz PBDNJHWXDXLYTF-OPVJXMOQSA-N 2 1 317.521 3.312 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(CO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041344 1086507448 /nfs/dbraw/zinc/50/74/48/1086507448.db2.gz RYPRZUFUKRJCCD-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041344 1086507455 /nfs/dbraw/zinc/50/74/55/1086507455.db2.gz RYPRZUFUKRJCCD-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041344 1086507462 /nfs/dbraw/zinc/50/74/62/1086507462.db2.gz RYPRZUFUKRJCCD-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041344 1086507474 /nfs/dbraw/zinc/50/74/74/1086507474.db2.gz RYPRZUFUKRJCCD-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP COC[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042073 1086512336 /nfs/dbraw/zinc/51/23/36/1086512336.db2.gz YQAHYOMCPLJYLH-JENIJYKNSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042073 1086512339 /nfs/dbraw/zinc/51/23/39/1086512339.db2.gz YQAHYOMCPLJYLH-JENIJYKNSA-N 2 1 316.489 3.396 20 0 DGADMP C([C@H]1CC2(CO1)CCCCC2)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001307482415 1086566021 /nfs/dbraw/zinc/56/60/21/1086566021.db2.gz FNSLHXFOZAUUIE-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088327509 1086796098 /nfs/dbraw/zinc/79/60/98/1086796098.db2.gz OUEREZFAAHTVOL-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001168093228 1086851931 /nfs/dbraw/zinc/85/19/31/1086851931.db2.gz MGOGFXDQZMLKGS-CJNGLKHVSA-N 2 1 308.853 3.157 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094028 1086857894 /nfs/dbraw/zinc/85/78/94/1086857894.db2.gz RFCPYFHMGSLLAF-UTRMSSBJSA-N 2 1 320.452 3.465 20 0 DGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394827 1086908339 /nfs/dbraw/zinc/90/83/39/1086908339.db2.gz PPRVMGWLMAMONG-MSOLQXFVSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168291394 1087285036 /nfs/dbraw/zinc/28/50/36/1087285036.db2.gz LBHJLXQIJFNCOS-LJQANCHMSA-N 2 1 316.489 3.359 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001168329616 1087296483 /nfs/dbraw/zinc/29/64/83/1087296483.db2.gz YPDGFPLETSWJQS-QIMFLAQGSA-N 2 1 316.371 3.216 20 0 DGADMP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168353052 1087305078 /nfs/dbraw/zinc/30/50/78/1087305078.db2.gz ILPPLMCOXZETKV-UHFFFAOYSA-N 2 1 310.388 3.252 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168391692 1087550022 /nfs/dbraw/zinc/55/00/22/1087550022.db2.gz NEKVJJNVJWQTPG-HXUWFJFHSA-N 2 1 314.473 3.404 20 0 DGADMP CCc1ccc(C)[nH+]c1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159107907 1088182846 /nfs/dbraw/zinc/18/28/46/1088182846.db2.gz XMPGVLDKLNOJAA-UHFFFAOYSA-N 2 1 310.445 3.101 20 0 DGADMP Nc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001159282317 1088267850 /nfs/dbraw/zinc/26/78/50/1088267850.db2.gz ROHYDSDAFWNBPT-MSOLQXFVSA-N 2 1 306.413 3.397 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1NC=C1CC[NH2+]CC1 ZINC001159371342 1088322232 /nfs/dbraw/zinc/32/22/32/1088322232.db2.gz JLKDEYRHXSXJHS-UHFFFAOYSA-N 2 1 321.222 3.084 20 0 DGADMP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(OC(F)(F)F)c1 ZINC001235464282 1088345729 /nfs/dbraw/zinc/34/57/29/1088345729.db2.gz BXFGGAXZWFDNKL-UHFFFAOYSA-N 2 1 302.340 3.077 20 0 DGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(OC(F)(F)F)c1 ZINC001235464282 1088345746 /nfs/dbraw/zinc/34/57/46/1088345746.db2.gz BXFGGAXZWFDNKL-UHFFFAOYSA-N 2 1 302.340 3.077 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880099 1088394628 /nfs/dbraw/zinc/39/46/28/1088394628.db2.gz YGFFBXUCNMRMCG-JKCVZHOFSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880099 1088394635 /nfs/dbraw/zinc/39/46/35/1088394635.db2.gz YGFFBXUCNMRMCG-JKCVZHOFSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880099 1088394644 /nfs/dbraw/zinc/39/46/44/1088394644.db2.gz YGFFBXUCNMRMCG-JKCVZHOFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159910744 1088544772 /nfs/dbraw/zinc/54/47/72/1088544772.db2.gz UJALSSJPYDIDCX-MJRGOJFPSA-N 2 1 323.525 3.092 20 0 DGADMP [NH3+][C@H]1CCCN(c2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2)C1 ZINC001159983037 1088589245 /nfs/dbraw/zinc/58/92/45/1088589245.db2.gz ZQCSRVZLVZPBAG-ZDUSSCGKSA-N 2 1 307.401 3.234 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236223104 1088732557 /nfs/dbraw/zinc/73/25/57/1088732557.db2.gz LEUGYRZZAHUGIO-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP c1cc2c(c(Nc3cccc4cc[nH+]cc43)c1)[C@H]1C[NH2+]C[C@H]1O2 ZINC001160394317 1088777950 /nfs/dbraw/zinc/77/79/50/1088777950.db2.gz HFVOZZCLLCECSR-KBXCAEBGSA-N 2 1 303.365 3.426 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccc(C[NH3+])nc2)nc1 ZINC001160406909 1088789283 /nfs/dbraw/zinc/78/92/83/1088789283.db2.gz YKTKNXYLJJQUPB-QGZVFWFLSA-N 2 1 311.433 3.226 20 0 DGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903788 1088821258 /nfs/dbraw/zinc/82/12/58/1088821258.db2.gz DJKGNOJQDAFONC-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001160473106 1088825461 /nfs/dbraw/zinc/82/54/61/1088825461.db2.gz UIKCKUXTJTWSLH-QKDCVEJESA-N 2 1 313.449 3.439 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001160473106 1088825477 /nfs/dbraw/zinc/82/54/77/1088825477.db2.gz UIKCKUXTJTWSLH-QKDCVEJESA-N 2 1 313.449 3.439 20 0 DGADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001154984036 1088872171 /nfs/dbraw/zinc/87/21/71/1088872171.db2.gz DGCFSMXBPNRPFL-HOTGVXAUSA-N 2 1 321.428 3.161 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H](Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001154986359 1088874853 /nfs/dbraw/zinc/87/48/53/1088874853.db2.gz RVAWIEVUKCIZPV-ZIAGYGMSSA-N 2 1 308.857 3.013 20 0 DGADMP c1ccc2c(c1)cc[nH+]c2NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377527 1089085797 /nfs/dbraw/zinc/08/57/97/1089085797.db2.gz GJQDXQKEPRKALF-MRXNPFEDSA-N 2 1 311.429 3.196 20 0 DGADMP c1ccc2c(c1)cc[nH+]c2NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377525 1089086400 /nfs/dbraw/zinc/08/64/00/1089086400.db2.gz GJQDXQKEPRKALF-INIZCTEOSA-N 2 1 311.429 3.196 20 0 DGADMP c1cc(N2CCCC2)cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)[nH+]1 ZINC001161186151 1089146442 /nfs/dbraw/zinc/14/64/42/1089146442.db2.gz AOKSPVZIYBKXJX-KRWDZBQOSA-N 2 1 314.477 3.358 20 0 DGADMP Cc1cc2c(nc[nH+]c2NCC2CC[NH+](CC3CCC3)CC2)[nH]1 ZINC001161233507 1089162806 /nfs/dbraw/zinc/16/28/06/1089162806.db2.gz RZPAGLZNYBQPET-UHFFFAOYSA-N 2 1 313.449 3.190 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)C[NH+](C)C)nc1 ZINC001155923038 1089301709 /nfs/dbraw/zinc/30/17/09/1089301709.db2.gz CWAZZFPXPQIHQX-NVXWUHKLSA-N 2 1 304.482 3.381 20 0 DGADMP Cc1[nH]c2nc[nH+]c(NCc3cccc(C[NH+](C)C)c3)c2c1C ZINC001156048173 1089365793 /nfs/dbraw/zinc/36/57/93/1089365793.db2.gz PFHHPWIRCLAQHW-UHFFFAOYSA-N 2 1 309.417 3.248 20 0 DGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193570 1089428123 /nfs/dbraw/zinc/42/81/23/1089428123.db2.gz DSIOSRPYWQYSDE-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCC1=CCCCC1 ZINC001156193570 1089428135 /nfs/dbraw/zinc/42/81/35/1089428135.db2.gz DSIOSRPYWQYSDE-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCC1=CCCCC1 ZINC001156193570 1089428145 /nfs/dbraw/zinc/42/81/45/1089428145.db2.gz DSIOSRPYWQYSDE-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP C[N@@H+]1CCC[C@](C)(Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001162337503 1089677506 /nfs/dbraw/zinc/67/75/06/1089677506.db2.gz PMTCYNSBYCQZAC-KRWDZBQOSA-N 2 1 322.884 3.227 20 0 DGADMP C[N@H+]1CCC[C@](C)(Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001162337503 1089677512 /nfs/dbraw/zinc/67/75/12/1089677512.db2.gz PMTCYNSBYCQZAC-KRWDZBQOSA-N 2 1 322.884 3.227 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@@H]1C[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001162464927 1089747452 /nfs/dbraw/zinc/74/74/52/1089747452.db2.gz AMWDDMGJSJWSHQ-MAUKXSAKSA-N 2 1 313.489 3.433 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1C(F)(F)F ZINC001162476270 1089752803 /nfs/dbraw/zinc/75/28/03/1089752803.db2.gz NEXWBYOEMHBFKR-GFCCVEGCSA-N 2 1 301.356 3.199 20 0 DGADMP Cn1cccc1CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001162709523 1089898579 /nfs/dbraw/zinc/89/85/79/1089898579.db2.gz OJHCAUIGEMNMQC-INIZCTEOSA-N 2 1 323.444 3.302 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1cc(N2CCCC2)cc[nH+]1 ZINC001157556497 1090026192 /nfs/dbraw/zinc/02/61/92/1090026192.db2.gz JPZLSGSJUFELFR-UHFFFAOYSA-N 2 1 324.472 3.250 20 0 DGADMP Cc1cnc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1NC(C)C ZINC001163358584 1090162579 /nfs/dbraw/zinc/16/25/79/1090162579.db2.gz UYLQTPZFLVJZTL-LSDHHAIUSA-N 2 1 305.470 3.136 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)CCC[NH+](C)C)nc1 ZINC001163600973 1090217586 /nfs/dbraw/zinc/21/75/86/1090217586.db2.gz WHEWQCJDSOIGDG-SFHVURJKSA-N 2 1 318.509 3.407 20 0 DGADMP C[C@H](C[NH+](C)C)Nc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001163772883 1090254955 /nfs/dbraw/zinc/25/49/55/1090254955.db2.gz QDFATXDVKHEMMK-MRXNPFEDSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1cc(C)c(C)c(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C ZINC001164212850 1090372654 /nfs/dbraw/zinc/37/26/54/1090372654.db2.gz GXDBPKWFIILVMP-UHFFFAOYSA-N 2 1 303.494 3.358 20 0 DGADMP [NH3+]Cc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164491455 1090432373 /nfs/dbraw/zinc/43/23/73/1090432373.db2.gz DSRFNLPSKVALMS-CEWLAPEOSA-N 2 1 321.468 3.468 20 0 DGADMP Cc1cnc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)cc1C ZINC001165083102 1090461913 /nfs/dbraw/zinc/46/19/13/1090461913.db2.gz VQOUZRXWNULXAN-OALUTQOASA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165085128 1090461977 /nfs/dbraw/zinc/46/19/77/1090461977.db2.gz LQJWVNSEDVIOED-RBUKOAKNSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165085128 1090461980 /nfs/dbraw/zinc/46/19/80/1090461980.db2.gz LQJWVNSEDVIOED-RBUKOAKNSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165085128 1090461983 /nfs/dbraw/zinc/46/19/83/1090461983.db2.gz LQJWVNSEDVIOED-RBUKOAKNSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165085118 1090462034 /nfs/dbraw/zinc/46/20/34/1090462034.db2.gz LQJWVNSEDVIOED-MOPGFXCFSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165085118 1090462037 /nfs/dbraw/zinc/46/20/37/1090462037.db2.gz LQJWVNSEDVIOED-MOPGFXCFSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165085118 1090462039 /nfs/dbraw/zinc/46/20/39/1090462039.db2.gz LQJWVNSEDVIOED-MOPGFXCFSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1c[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)c2[nH]ccc21 ZINC001165427095 1090520364 /nfs/dbraw/zinc/52/03/64/1090520364.db2.gz JCIPEOLDHITTTF-UHFFFAOYSA-N 2 1 306.413 3.415 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000715532366 1090628634 /nfs/dbraw/zinc/62/86/34/1090628634.db2.gz LPOAPPNBHRGEAK-BTHPGYMESA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000715532366 1090628637 /nfs/dbraw/zinc/62/86/37/1090628637.db2.gz LPOAPPNBHRGEAK-BTHPGYMESA-N 2 1 315.505 3.112 20 0 DGADMP CCCCOc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001203974064 1090855776 /nfs/dbraw/zinc/85/57/76/1090855776.db2.gz SHKKHXJGEFWNEY-ROUUACIJSA-N 2 1 302.462 3.249 20 0 DGADMP Cc1ccsc1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001204024021 1090873831 /nfs/dbraw/zinc/87/38/31/1090873831.db2.gz UBGXNYHKCDZSLM-UHFFFAOYSA-N 2 1 308.491 3.132 20 0 DGADMP Cc1ccsc1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001204024021 1090873839 /nfs/dbraw/zinc/87/38/39/1090873839.db2.gz UBGXNYHKCDZSLM-UHFFFAOYSA-N 2 1 308.491 3.132 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC001204048037 1090882256 /nfs/dbraw/zinc/88/22/56/1090882256.db2.gz MTFSRPRXESRYBI-ZIAGYGMSSA-N 2 1 306.450 3.227 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC001204048037 1090882265 /nfs/dbraw/zinc/88/22/65/1090882265.db2.gz MTFSRPRXESRYBI-ZIAGYGMSSA-N 2 1 306.450 3.227 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC001204048036 1090882334 /nfs/dbraw/zinc/88/23/34/1090882334.db2.gz MTFSRPRXESRYBI-KGLIPLIRSA-N 2 1 306.450 3.227 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC001204048036 1090882344 /nfs/dbraw/zinc/88/23/44/1090882344.db2.gz MTFSRPRXESRYBI-KGLIPLIRSA-N 2 1 306.450 3.227 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CC[C@H]3C2)cc1 ZINC001204082624 1090897165 /nfs/dbraw/zinc/89/71/65/1090897165.db2.gz ZDQBORXSHWHPIO-LEWJYISDSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CC[C@H]3C2)cc1 ZINC001204082624 1090897173 /nfs/dbraw/zinc/89/71/73/1090897173.db2.gz ZDQBORXSHWHPIO-LEWJYISDSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@H]3C2)cc1 ZINC001204082624 1090897182 /nfs/dbraw/zinc/89/71/82/1090897182.db2.gz ZDQBORXSHWHPIO-LEWJYISDSA-N 2 1 321.468 3.426 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc1O ZINC001204116049 1090904145 /nfs/dbraw/zinc/90/41/45/1090904145.db2.gz LHANDGXMHQAUCJ-KRWDZBQOSA-N 2 1 318.461 3.241 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc1O ZINC001204116049 1090904151 /nfs/dbraw/zinc/90/41/51/1090904151.db2.gz LHANDGXMHQAUCJ-KRWDZBQOSA-N 2 1 318.461 3.241 20 0 DGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1O ZINC001204129091 1090906008 /nfs/dbraw/zinc/90/60/08/1090906008.db2.gz HCGOLAOONCHTPZ-UHFFFAOYSA-N 2 1 320.477 3.343 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC001204268456 1090937274 /nfs/dbraw/zinc/93/72/74/1090937274.db2.gz LHFXDLAMNJLOOF-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC001204268661 1090937481 /nfs/dbraw/zinc/93/74/81/1090937481.db2.gz MJLQFPBFDOPWMI-KRWDZBQOSA-N 2 1 308.441 3.199 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168703893 1090957601 /nfs/dbraw/zinc/95/76/01/1090957601.db2.gz JSNKELKBGYVXJR-FPCVCCKLSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168703893 1090957605 /nfs/dbraw/zinc/95/76/05/1090957605.db2.gz JSNKELKBGYVXJR-FPCVCCKLSA-N 2 1 304.865 3.412 20 0 DGADMP CS[C@H](C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470433 1090989734 /nfs/dbraw/zinc/98/97/34/1090989734.db2.gz LQFIBNFPZDQQCJ-AEFFLSMTSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@H](C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470433 1090989737 /nfs/dbraw/zinc/98/97/37/1090989737.db2.gz LQFIBNFPZDQQCJ-AEFFLSMTSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@H](C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470433 1090989742 /nfs/dbraw/zinc/98/97/42/1090989742.db2.gz LQFIBNFPZDQQCJ-AEFFLSMTSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@H](C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470433 1090989745 /nfs/dbraw/zinc/98/97/45/1090989745.db2.gz LQFIBNFPZDQQCJ-AEFFLSMTSA-N 2 1 321.534 3.444 20 0 DGADMP Fc1cc(F)c(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204727729 1091023629 /nfs/dbraw/zinc/02/36/29/1091023629.db2.gz MCMKQDSTLOBVOC-UHFFFAOYSA-N 2 1 312.379 3.112 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735417 1091024764 /nfs/dbraw/zinc/02/47/64/1091024764.db2.gz UEIOSCSUFALNEO-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204734788 1091025969 /nfs/dbraw/zinc/02/59/69/1091025969.db2.gz DYFYRROSKQJPOM-UHFFFAOYSA-N 2 1 324.415 3.329 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1C ZINC001204742660 1091027418 /nfs/dbraw/zinc/02/74/18/1091027418.db2.gz QCYQXDKRLGVPGH-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001204939663 1091067175 /nfs/dbraw/zinc/06/71/75/1091067175.db2.gz SAGXRQZQULOYAO-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001204939663 1091067183 /nfs/dbraw/zinc/06/71/83/1091067183.db2.gz SAGXRQZQULOYAO-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205008564 1091081932 /nfs/dbraw/zinc/08/19/32/1091081932.db2.gz CXSVMAUFJPQPSL-INIZCTEOSA-N 2 1 318.461 3.073 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205008564 1091081940 /nfs/dbraw/zinc/08/19/40/1091081940.db2.gz CXSVMAUFJPQPSL-INIZCTEOSA-N 2 1 318.461 3.073 20 0 DGADMP CCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001205052491 1091091560 /nfs/dbraw/zinc/09/15/60/1091091560.db2.gz JCYSKMUNRMSPQO-UHFFFAOYSA-N 2 1 314.376 3.302 20 0 DGADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205076258 1091095781 /nfs/dbraw/zinc/09/57/81/1091095781.db2.gz RIPGCXGJLIVGAQ-GWCFXTLKSA-N 2 1 322.250 3.242 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205076258 1091095784 /nfs/dbraw/zinc/09/57/84/1091095784.db2.gz RIPGCXGJLIVGAQ-GWCFXTLKSA-N 2 1 322.250 3.242 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205076258 1091095790 /nfs/dbraw/zinc/09/57/90/1091095790.db2.gz RIPGCXGJLIVGAQ-GWCFXTLKSA-N 2 1 322.250 3.242 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205109522 1091104275 /nfs/dbraw/zinc/10/42/75/1091104275.db2.gz HMLRTQDOMUGUBV-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205109522 1091104277 /nfs/dbraw/zinc/10/42/77/1091104277.db2.gz HMLRTQDOMUGUBV-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001205116945 1091106628 /nfs/dbraw/zinc/10/66/28/1091106628.db2.gz JVAODJQSIRBJMT-GFCCVEGCSA-N 2 1 320.330 3.237 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124147 1091108317 /nfs/dbraw/zinc/10/83/17/1091108317.db2.gz KNYMMHOGKGCKBP-OAHLLOKOSA-N 2 1 311.267 3.325 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124147 1091108320 /nfs/dbraw/zinc/10/83/20/1091108320.db2.gz KNYMMHOGKGCKBP-OAHLLOKOSA-N 2 1 311.267 3.325 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@](O)(C[NH3+])CC1)c1cccc2ccccc21 ZINC001205208143 1091132178 /nfs/dbraw/zinc/13/21/78/1091132178.db2.gz BCMYLLUJVYJMEZ-OXJNMPFZSA-N 2 1 312.457 3.119 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2-c2cccs2)CC1 ZINC001205229814 1091139762 /nfs/dbraw/zinc/13/97/62/1091139762.db2.gz PLCIHEDPCHMLHO-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC001205229694 1091139925 /nfs/dbraw/zinc/13/99/25/1091139925.db2.gz OGCAEQUPXCXIPO-HXUWFJFHSA-N 2 1 310.441 3.029 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccn2-c2ccccc2F)CC1 ZINC001205266433 1091157302 /nfs/dbraw/zinc/15/73/02/1091157302.db2.gz UPLDDEZMZPLEHX-SFHVURJKSA-N 2 1 301.409 3.320 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccn2-c2ccccc2F)CC1 ZINC001205266433 1091157307 /nfs/dbraw/zinc/15/73/07/1091157307.db2.gz UPLDDEZMZPLEHX-SFHVURJKSA-N 2 1 301.409 3.320 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001205289250 1091167227 /nfs/dbraw/zinc/16/72/27/1091167227.db2.gz VHJBAIKPGCBIPV-QGZVFWFLSA-N 2 1 319.836 3.297 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205296389 1091168936 /nfs/dbraw/zinc/16/89/36/1091168936.db2.gz NYOQPRXQYZPHIG-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205296389 1091168940 /nfs/dbraw/zinc/16/89/40/1091168940.db2.gz NYOQPRXQYZPHIG-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296824 1091171815 /nfs/dbraw/zinc/17/18/15/1091171815.db2.gz UKNAZUXNZQDUHM-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296824 1091171816 /nfs/dbraw/zinc/17/18/16/1091171816.db2.gz UKNAZUXNZQDUHM-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303385 1091172978 /nfs/dbraw/zinc/17/29/78/1091172978.db2.gz DLZOMTFNJXHPPI-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303385 1091172988 /nfs/dbraw/zinc/17/29/88/1091172988.db2.gz DLZOMTFNJXHPPI-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303255 1091173236 /nfs/dbraw/zinc/17/32/36/1091173236.db2.gz BOUCHBDINUJLTH-SMDDNHRTSA-N 2 1 316.367 3.310 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@@H]1C[NH3+] ZINC001205305074 1091176476 /nfs/dbraw/zinc/17/64/76/1091176476.db2.gz QUPMYPVGISLNPQ-KXBFYZLASA-N 2 1 311.473 3.323 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC001205305156 1091177051 /nfs/dbraw/zinc/17/70/51/1091177051.db2.gz RGVFZQJCULVFRT-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC001205305156 1091177059 /nfs/dbraw/zinc/17/70/59/1091177059.db2.gz RGVFZQJCULVFRT-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC001205306307 1091177233 /nfs/dbraw/zinc/17/72/33/1091177233.db2.gz VHTIWMGACZNNFK-DOTOQJQBSA-N 2 1 317.477 3.210 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC001205306307 1091177246 /nfs/dbraw/zinc/17/72/46/1091177246.db2.gz VHTIWMGACZNNFK-DOTOQJQBSA-N 2 1 317.477 3.210 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(OC)c(C)c3)C[C@@H]2C1 ZINC001138430316 1091182432 /nfs/dbraw/zinc/18/24/32/1091182432.db2.gz WTPPECWNNDNLGE-ROUUACIJSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCC)cc3C)C[C@H]2C1 ZINC001138437397 1091184163 /nfs/dbraw/zinc/18/41/63/1091184163.db2.gz VZAGJRPPJAPRHI-QZTJIDSGSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205318300 1091184224 /nfs/dbraw/zinc/18/42/24/1091184224.db2.gz TZFSINOBUHKBSM-BEFAXECRSA-N 2 1 309.457 3.474 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N(C)C)s2)CC1 ZINC001138490510 1091203530 /nfs/dbraw/zinc/20/35/30/1091203530.db2.gz BEBZGCUCJIPMGY-UHFFFAOYSA-N 2 1 309.523 3.366 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc1 ZINC001138542097 1091220862 /nfs/dbraw/zinc/22/08/62/1091220862.db2.gz ACGXUEXQHTXAKV-KXBFYZLASA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc1 ZINC001138542097 1091220870 /nfs/dbraw/zinc/22/08/70/1091220870.db2.gz ACGXUEXQHTXAKV-KXBFYZLASA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1 ZINC001138542093 1091222135 /nfs/dbraw/zinc/22/21/35/1091222135.db2.gz ACGXUEXQHTXAKV-DNVCBOLYSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1 ZINC001138542093 1091222145 /nfs/dbraw/zinc/22/21/45/1091222145.db2.gz ACGXUEXQHTXAKV-DNVCBOLYSA-N 2 1 313.445 3.164 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205546207 1091248074 /nfs/dbraw/zinc/24/80/74/1091248074.db2.gz RSIQUQHAYAXLMZ-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001205545544 1091248805 /nfs/dbraw/zinc/24/88/05/1091248805.db2.gz JBXTUYSHXIARDW-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001205558051 1091251242 /nfs/dbraw/zinc/25/12/42/1091251242.db2.gz BDKRWRSMBQMOKO-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205571892 1091260015 /nfs/dbraw/zinc/26/00/15/1091260015.db2.gz YYCQNAKAPYSJNC-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1F ZINC001205570532 1091260281 /nfs/dbraw/zinc/26/02/81/1091260281.db2.gz LDWFRYGKFULCCA-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205578515 1091264929 /nfs/dbraw/zinc/26/49/29/1091264929.db2.gz DRTPVEOYCISCDQ-SFHVURJKSA-N 2 1 308.441 3.435 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001205578535 1091265581 /nfs/dbraw/zinc/26/55/81/1091265581.db2.gz FAYOQWBXMBQQLM-QGZVFWFLSA-N 2 1 305.372 3.027 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1 ZINC001205592506 1091269460 /nfs/dbraw/zinc/26/94/60/1091269460.db2.gz VWURHOUAPYKLLT-KRWDZBQOSA-N 2 1 312.404 3.266 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205591076 1091270303 /nfs/dbraw/zinc/27/03/03/1091270303.db2.gz DBCGRGZZEJSBIX-INIZCTEOSA-N 2 1 314.832 3.392 20 0 DGADMP C[C@@H]1CC[N@@H+](CC2CCN(c3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205601932 1091273180 /nfs/dbraw/zinc/27/31/80/1091273180.db2.gz GTDUSTIMEDZDJD-MJGOQNOKSA-N 2 1 315.505 3.210 20 0 DGADMP C[C@H]1CC[N@@H+](CC2(c3ccccc3)CCOCC2)CC[C@H]1C[NH3+] ZINC001205602536 1091273346 /nfs/dbraw/zinc/27/33/46/1091273346.db2.gz JHAATJKTMZJVRS-ROUUACIJSA-N 2 1 316.489 3.042 20 0 DGADMP C[C@H]1CC[N@@H+](CC2CCN(c3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205601933 1091274498 /nfs/dbraw/zinc/27/44/98/1091274498.db2.gz GTDUSTIMEDZDJD-PKOBYXMFSA-N 2 1 315.505 3.210 20 0 DGADMP C[C@H]1CC[N@@H+](CCCCOCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205603633 1091275954 /nfs/dbraw/zinc/27/59/54/1091275954.db2.gz RJVPQOKOKVLTGO-HKUYNNGSSA-N 2 1 304.478 3.290 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)c1C ZINC001205615790 1091278984 /nfs/dbraw/zinc/27/89/84/1091278984.db2.gz BCIXTGDCAPAQPM-CXAGYDPISA-N 2 1 304.478 3.427 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC[C@H]1C[NH3+] ZINC001205617703 1091280435 /nfs/dbraw/zinc/28/04/35/1091280435.db2.gz MOCQUYCNECTLOM-HOTGVXAUSA-N 2 1 305.466 3.077 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OCC)c1 ZINC001205617581 1091280799 /nfs/dbraw/zinc/28/07/99/1091280799.db2.gz LCATZKNUZIOZAP-JKSUJKDBSA-N 2 1 320.477 3.291 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205617645 1091281428 /nfs/dbraw/zinc/28/14/28/1091281428.db2.gz LYEFDUBTROHRDP-ZBFHGGJFSA-N 2 1 313.445 3.050 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205617750 1091281604 /nfs/dbraw/zinc/28/16/04/1091281604.db2.gz NDWFTGCBRDIIIC-GXTWGEPZSA-N 2 1 303.425 3.422 20 0 DGADMP CCOc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205627550 1091286230 /nfs/dbraw/zinc/28/62/30/1091286230.db2.gz QLGDBCDUFGSPED-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629188 1091288517 /nfs/dbraw/zinc/28/85/17/1091288517.db2.gz YFKNHKQTJDWUHT-XJKSGUPXSA-N 2 1 306.498 3.062 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1F ZINC001205629144 1091288608 /nfs/dbraw/zinc/28/86/08/1091288608.db2.gz XTBKPUNRIJICLQ-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@H]1C[NH3+] ZINC001205637644 1091291941 /nfs/dbraw/zinc/29/19/41/1091291941.db2.gz ICBJVBRBFVHJCV-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205638593 1091292215 /nfs/dbraw/zinc/29/22/15/1091292215.db2.gz POZPZQNGOVVGMU-MAUKXSAKSA-N 2 1 324.472 3.259 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@H]1C[NH3+] ZINC001205638578 1091292258 /nfs/dbraw/zinc/29/22/58/1091292258.db2.gz PKYHXQWXMLRFFM-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C2CCOCC2)CC[C@H]1C[NH3+] ZINC001205651720 1091295938 /nfs/dbraw/zinc/29/59/38/1091295938.db2.gz IMFVTOFWPOECCO-WMZOPIPTSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205653275 1091297742 /nfs/dbraw/zinc/29/77/42/1091297742.db2.gz SJPBOUONOAQQIW-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205652448 1091299183 /nfs/dbraw/zinc/29/91/83/1091299183.db2.gz PQFCUJOYWYAUSV-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205662869 1091303547 /nfs/dbraw/zinc/30/35/47/1091303547.db2.gz FAMSTRSDFAMUDL-FXAWDEMLSA-N 2 1 318.505 3.164 20 0 DGADMP COc1cc(C)c(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)c1C ZINC001138727915 1091304336 /nfs/dbraw/zinc/30/43/36/1091304336.db2.gz XCSKWTRPNFBHLT-SJLPKXTDSA-N 2 1 302.462 3.146 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205688026 1091312083 /nfs/dbraw/zinc/31/20/83/1091312083.db2.gz CRRVYXAUVPHQEN-LJQANCHMSA-N 2 1 304.478 3.050 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2ccccc2)cc1 ZINC001138769817 1091322332 /nfs/dbraw/zinc/32/23/32/1091322332.db2.gz JIWWTCTUZBRYPX-UHFFFAOYSA-N 2 1 312.457 3.302 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)cc1 ZINC001138769632 1091322577 /nfs/dbraw/zinc/32/25/77/1091322577.db2.gz VWICNNOUPHTBOQ-GOSISDBHSA-N 2 1 308.441 3.341 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001138770222 1091322911 /nfs/dbraw/zinc/32/29/11/1091322911.db2.gz TYMHCVJHZSAPDH-DLBZAZTESA-N 2 1 304.478 3.495 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001205904369 1091401927 /nfs/dbraw/zinc/40/19/27/1091401927.db2.gz URDTZOBOKKCAFX-AAEUAGOBSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CCCCC1 ZINC001205903867 1091402318 /nfs/dbraw/zinc/40/23/18/1091402318.db2.gz RKNHRPNVICRFBN-IRXDYDNUSA-N 2 1 301.478 3.236 20 0 DGADMP CCOc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(OCC)c1 ZINC001138979687 1091406437 /nfs/dbraw/zinc/40/64/37/1091406437.db2.gz HSSKUNXCKYXIKG-IBGZPJMESA-N 2 1 318.461 3.012 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(C(F)(F)F)c1 ZINC001205912832 1091406510 /nfs/dbraw/zinc/40/65/10/1091406510.db2.gz CXTBMIBZCFRMPU-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(C(F)(F)F)c1 ZINC001205912832 1091406516 /nfs/dbraw/zinc/40/65/16/1091406516.db2.gz CXTBMIBZCFRMPU-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001205912819 1091407439 /nfs/dbraw/zinc/40/74/39/1091407439.db2.gz CVGGYEGYEZANAP-NEPJUHHUSA-N 2 1 319.836 3.153 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915799 1091409937 /nfs/dbraw/zinc/40/99/37/1091409937.db2.gz QOKICLQSFUPWFE-KBPBESRZSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915799 1091409939 /nfs/dbraw/zinc/40/99/39/1091409939.db2.gz QOKICLQSFUPWFE-KBPBESRZSA-N 2 1 318.852 3.085 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H]3C)cc2c1 ZINC001205917486 1091411707 /nfs/dbraw/zinc/41/17/07/1091411707.db2.gz YYBGIARPYYEHLE-QWHCGFSZSA-N 2 1 304.459 3.469 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@H](C[NH3+])[C@H]3C)cc2c1 ZINC001205917482 1091411903 /nfs/dbraw/zinc/41/19/03/1091411903.db2.gz YYBGIARPYYEHLE-CHWSQXEVSA-N 2 1 304.459 3.469 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001205925167 1091415785 /nfs/dbraw/zinc/41/57/85/1091415785.db2.gz WBGOBDUMLIXLJE-WMLDXEAASA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981898 1091435177 /nfs/dbraw/zinc/43/51/77/1091435177.db2.gz IUYZYXUVBRFREM-QWHCGFSZSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981896 1091435641 /nfs/dbraw/zinc/43/56/41/1091435641.db2.gz IUYZYXUVBRFREM-CHWSQXEVSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCOCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205984188 1091436122 /nfs/dbraw/zinc/43/61/22/1091436122.db2.gz RKJQBRSDOFADGN-MJGOQNOKSA-N 2 1 304.478 3.290 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CCC[C@@H]1C[NH3+] ZINC001205992139 1091439455 /nfs/dbraw/zinc/43/94/55/1091439455.db2.gz DVZPJQBIRYWJCY-DZGCQCFKSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)n2)CCC[C@H]1C[NH3+] ZINC001205997039 1091441310 /nfs/dbraw/zinc/44/13/10/1091441310.db2.gz YWMMGDXZESNFPW-CABCVRRESA-N 2 1 305.466 3.066 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccn2-c2ccccc2F)CCC[C@@H]1C[NH3+] ZINC001205997017 1091441772 /nfs/dbraw/zinc/44/17/72/1091441772.db2.gz YRSLLNZNWXFFTB-HZPDHXFCSA-N 2 1 315.436 3.423 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc21 ZINC001205995451 1091441983 /nfs/dbraw/zinc/44/19/83/1091441983.db2.gz OGSHDAGAWFPGFB-GOEBONIOSA-N 2 1 313.445 3.108 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccn2-c2ccccc2F)CCC[C@H]1C[NH3+] ZINC001205997016 1091442226 /nfs/dbraw/zinc/44/22/26/1091442226.db2.gz YRSLLNZNWXFFTB-HOTGVXAUSA-N 2 1 315.436 3.423 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3cccnc3cc2F)CCC[C@@H]1C[NH3+] ZINC001206003566 1091445473 /nfs/dbraw/zinc/44/54/73/1091445473.db2.gz JUKTVQALJDFIDJ-DZGCQCFKSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CCC[C@H]1C[NH3+] ZINC001206014980 1091451661 /nfs/dbraw/zinc/45/16/61/1091451661.db2.gz YWNWSKGZXPJTGJ-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206023666 1091455367 /nfs/dbraw/zinc/45/53/67/1091455367.db2.gz GBXBERVVXFPPRR-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CCC[C@H]1C[NH3+] ZINC001206026255 1091457466 /nfs/dbraw/zinc/45/74/66/1091457466.db2.gz RCYWUCOMOGPHCW-WBVHZDCISA-N 2 1 319.468 3.233 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2C2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001206026006 1091457877 /nfs/dbraw/zinc/45/78/77/1091457877.db2.gz QLFZLYQRPRIIKE-FUHWJXTLSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206037843 1091463047 /nfs/dbraw/zinc/46/30/47/1091463047.db2.gz XYNYWRLTQIMDCK-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206035753 1091463955 /nfs/dbraw/zinc/46/39/55/1091463955.db2.gz DLMWGNJXODZXCT-QWHCGFSZSA-N 2 1 320.868 3.034 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3nsnc3c2)CC1 ZINC001139212550 1091489901 /nfs/dbraw/zinc/48/99/01/1091489901.db2.gz HBSGIZSMFAOMPA-UHFFFAOYSA-N 2 1 318.490 3.244 20 0 DGADMP c1cn2c(n1)CC[N@@H+](Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC001139247451 1091500197 /nfs/dbraw/zinc/50/01/97/1091500197.db2.gz FIAIMWCQNIEYBM-UHFFFAOYSA-N 2 1 320.396 3.129 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2nccs2)CC[C@@H]1F ZINC001206173501 1091519943 /nfs/dbraw/zinc/51/99/43/1091519943.db2.gz HRGCRCWLLOOHOR-LSDHHAIUSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@H]1F ZINC001206175245 1091522564 /nfs/dbraw/zinc/52/25/64/1091522564.db2.gz SWXPEQMEUDHFDR-SJORKVTESA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@H]1F ZINC001206175245 1091522572 /nfs/dbraw/zinc/52/25/72/1091522572.db2.gz SWXPEQMEUDHFDR-SJORKVTESA-N 2 1 317.383 3.149 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206185648 1091526500 /nfs/dbraw/zinc/52/65/00/1091526500.db2.gz OOJUARBGPCWXJB-KGLIPLIRSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206185648 1091526509 /nfs/dbraw/zinc/52/65/09/1091526509.db2.gz OOJUARBGPCWXJB-KGLIPLIRSA-N 2 1 304.331 3.275 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@H]1F ZINC001206197016 1091530875 /nfs/dbraw/zinc/53/08/75/1091530875.db2.gz FZOJVJSFXMWERU-CABCVRRESA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@H]1F ZINC001206197016 1091530879 /nfs/dbraw/zinc/53/08/79/1091530879.db2.gz FZOJVJSFXMWERU-CABCVRRESA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CC[C@H]1F ZINC001206195949 1091531052 /nfs/dbraw/zinc/53/10/52/1091531052.db2.gz AEONHNWTKKWAJP-MSOLQXFVSA-N 2 1 315.392 3.135 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206198001 1091533105 /nfs/dbraw/zinc/53/31/05/1091533105.db2.gz KSPWEJKQTQRQJV-DLBZAZTESA-N 2 1 324.440 3.019 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1Cc2ccccc2O1 ZINC001139363818 1091536549 /nfs/dbraw/zinc/53/65/49/1091536549.db2.gz KHGJXKUXVXMNBM-LJQANCHMSA-N 2 1 319.408 3.308 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)c2ccccc2n3C)C1 ZINC001206269344 1091558300 /nfs/dbraw/zinc/55/83/00/1091558300.db2.gz KJYHTRJMBYGPTG-OAHLLOKOSA-N 2 1 307.441 3.373 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3C)C1 ZINC001206269344 1091558304 /nfs/dbraw/zinc/55/83/04/1091558304.db2.gz KJYHTRJMBYGPTG-OAHLLOKOSA-N 2 1 307.441 3.373 20 0 DGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001206285987 1091563247 /nfs/dbraw/zinc/56/32/47/1091563247.db2.gz QMJXAORTYVMSHG-AWEZNQCLSA-N 2 1 315.848 3.443 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001206285987 1091563255 /nfs/dbraw/zinc/56/32/55/1091563255.db2.gz QMJXAORTYVMSHG-AWEZNQCLSA-N 2 1 315.848 3.443 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC001206295781 1091565855 /nfs/dbraw/zinc/56/58/55/1091565855.db2.gz NMFVYWGANVINGQ-ZDUSSCGKSA-N 2 1 317.296 3.462 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001206303058 1091569183 /nfs/dbraw/zinc/56/91/83/1091569183.db2.gz AXQXVQXVGLZZQE-GOSISDBHSA-N 2 1 317.408 3.432 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001206304245 1091569213 /nfs/dbraw/zinc/56/92/13/1091569213.db2.gz IFMCJYWXGAQKLA-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@@](C)(C[NH3+])CC1)cn2C ZINC001206304143 1091569754 /nfs/dbraw/zinc/56/97/54/1091569754.db2.gz GNWLXVZKRMFJKE-LJQANCHMSA-N 2 1 315.461 3.138 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001206310837 1091573109 /nfs/dbraw/zinc/57/31/09/1091573109.db2.gz DCRQWADUIRXOGI-CQSZACIVSA-N 2 1 302.249 3.339 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304928 1091570879 /nfs/dbraw/zinc/57/08/79/1091570879.db2.gz RSBCKVZHFJLQAP-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206304534 1091570954 /nfs/dbraw/zinc/57/09/54/1091570954.db2.gz MHMAPSZHRSLAPG-LJQANCHMSA-N 2 1 312.461 3.132 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206304534 1091570959 /nfs/dbraw/zinc/57/09/59/1091570959.db2.gz MHMAPSZHRSLAPG-LJQANCHMSA-N 3 1 312.461 3.132 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206304534 1091570972 /nfs/dbraw/zinc/57/09/72/1091570972.db2.gz MHMAPSZHRSLAPG-LJQANCHMSA-N 3 1 312.461 3.132 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OCC[NH+]2CCCC2)C3)cc1 ZINC001206309177 1091571482 /nfs/dbraw/zinc/57/14/82/1091571482.db2.gz LXMCJDQUYXQILK-PMOLBWCYSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001206305155 1091571530 /nfs/dbraw/zinc/57/15/30/1091571530.db2.gz UYQOHFPGUJTBHL-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001206311885 1091572808 /nfs/dbraw/zinc/57/28/08/1091572808.db2.gz WKKUEZDDICPIQS-ZDUSSCGKSA-N 2 1 317.296 3.462 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c[nH]c21 ZINC001206318531 1091576445 /nfs/dbraw/zinc/57/64/45/1091576445.db2.gz QSEJYBWJROPYSG-SFHVURJKSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001206325747 1091581738 /nfs/dbraw/zinc/58/17/38/1091581738.db2.gz ISABFQHZIKUALK-QGZVFWFLSA-N 2 1 318.852 3.234 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c2c1ccnc2Cl ZINC001206335657 1091582739 /nfs/dbraw/zinc/58/27/39/1091582739.db2.gz HPTSBJDUWNNEPB-KRWDZBQOSA-N 2 1 320.868 3.178 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc21 ZINC001206336254 1091584771 /nfs/dbraw/zinc/58/47/71/1091584771.db2.gz KHOMGYVGNLUQPD-LJQANCHMSA-N 2 1 301.478 3.020 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)cn1 ZINC001206336757 1091584813 /nfs/dbraw/zinc/58/48/13/1091584813.db2.gz OPZIIGACQZVCTG-MRXNPFEDSA-N 2 1 311.857 3.085 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2n1 ZINC001206351649 1091591837 /nfs/dbraw/zinc/59/18/37/1091591837.db2.gz HDQVFCDRBYONSN-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2n1 ZINC001206351649 1091591843 /nfs/dbraw/zinc/59/18/43/1091591843.db2.gz HDQVFCDRBYONSN-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001206352621 1091593818 /nfs/dbraw/zinc/59/38/18/1091593818.db2.gz ZFYBSSCWBFKZII-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001206352621 1091593821 /nfs/dbraw/zinc/59/38/21/1091593821.db2.gz ZFYBSSCWBFKZII-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)cccc2n1 ZINC001206378894 1091607182 /nfs/dbraw/zinc/60/71/82/1091607182.db2.gz HBSYGRMEHHRXSV-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)cccc2n1 ZINC001206378894 1091607188 /nfs/dbraw/zinc/60/71/88/1091607188.db2.gz HBSYGRMEHHRXSV-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1CC ZINC001139626687 1091627267 /nfs/dbraw/zinc/62/72/67/1091627267.db2.gz WYEGVZNFIQNJQQ-HDICACEKSA-N 2 1 302.462 3.031 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1CC ZINC001139626687 1091627273 /nfs/dbraw/zinc/62/72/73/1091627273.db2.gz WYEGVZNFIQNJQQ-HDICACEKSA-N 2 1 302.462 3.031 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1CC ZINC001139626687 1091627279 /nfs/dbraw/zinc/62/72/79/1091627279.db2.gz WYEGVZNFIQNJQQ-HDICACEKSA-N 2 1 302.462 3.031 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)cc1CC ZINC001139626687 1091627286 /nfs/dbraw/zinc/62/72/86/1091627286.db2.gz WYEGVZNFIQNJQQ-HDICACEKSA-N 2 1 302.462 3.031 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001206547610 1091664151 /nfs/dbraw/zinc/66/41/51/1091664151.db2.gz DKYRVOXAWKAHAT-LJQANCHMSA-N 2 1 301.478 3.238 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OCC)c1 ZINC001206548862 1091665774 /nfs/dbraw/zinc/66/57/74/1091665774.db2.gz KCIGVNGPJNURLY-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OCC)c1 ZINC001206548862 1091665779 /nfs/dbraw/zinc/66/57/79/1091665779.db2.gz KCIGVNGPJNURLY-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001206556003 1091669069 /nfs/dbraw/zinc/66/90/69/1091669069.db2.gz MDRIPOUGMMYOIF-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP CCOc1cc(OC)ccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606275 1091687873 /nfs/dbraw/zinc/68/78/73/1091687873.db2.gz JADDRMGMALDPGF-KRWDZBQOSA-N 2 1 320.477 3.446 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001206616839 1091692218 /nfs/dbraw/zinc/69/22/18/1091692218.db2.gz RAFXKRMJQFMIQS-LBPRGKRZSA-N 2 1 304.331 3.405 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001206622449 1091693587 /nfs/dbraw/zinc/69/35/87/1091693587.db2.gz CBEKPJKQOASIMF-OAHLLOKOSA-N 2 1 301.459 3.371 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+]1CCCCC1 ZINC001206701360 1091707171 /nfs/dbraw/zinc/70/71/71/1091707171.db2.gz WRSKRJDYFXHCLE-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206718825 1091709908 /nfs/dbraw/zinc/70/99/08/1091709908.db2.gz YDLXPCZMEGEQCU-QZTJIDSGSA-N 2 1 317.477 3.110 20 0 DGADMP c1cc(C[N@@H+]2CCCCC23CC3)ccc1C[NH+]1CCOCC1 ZINC001206722063 1091711897 /nfs/dbraw/zinc/71/18/97/1091711897.db2.gz KSAZPSXHAMHWKZ-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP c1cc(C[N@H+]2CCCCC23CC3)ccc1C[NH+]1CCOCC1 ZINC001206722063 1091711900 /nfs/dbraw/zinc/71/19/00/1091711900.db2.gz KSAZPSXHAMHWKZ-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001168768256 1091712087 /nfs/dbraw/zinc/71/20/87/1091712087.db2.gz RYQKPAHRDUBYJE-UHFFFAOYSA-N 2 1 322.453 3.428 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769045 1091731548 /nfs/dbraw/zinc/73/15/48/1091731548.db2.gz MYIQTUACULBWKD-WDEREUQCSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769045 1091731552 /nfs/dbraw/zinc/73/15/52/1091731552.db2.gz MYIQTUACULBWKD-WDEREUQCSA-N 2 1 304.331 3.404 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OCC)c1 ZINC001206768077 1091731585 /nfs/dbraw/zinc/73/15/85/1091731585.db2.gz GTORFBZOXMZJFJ-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OCC)c1 ZINC001206768077 1091731593 /nfs/dbraw/zinc/73/15/93/1091731593.db2.gz GTORFBZOXMZJFJ-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769771 1091733366 /nfs/dbraw/zinc/73/33/66/1091733366.db2.gz QFTKBJRVDOAYDG-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769771 1091733369 /nfs/dbraw/zinc/73/33/69/1091733369.db2.gz QFTKBJRVDOAYDG-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001206772219 1091733977 /nfs/dbraw/zinc/73/39/77/1091733977.db2.gz ZJNRTJSCGLWSLC-GOEBONIOSA-N 2 1 318.461 3.201 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001140027630 1091744365 /nfs/dbraw/zinc/74/43/65/1091744365.db2.gz SRBIXDVMLNDAJF-SFHVURJKSA-N 2 1 312.461 3.095 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001140027630 1091744371 /nfs/dbraw/zinc/74/43/71/1091744371.db2.gz SRBIXDVMLNDAJF-SFHVURJKSA-N 2 1 312.461 3.095 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1OCC1CC1 ZINC001206806049 1091747893 /nfs/dbraw/zinc/74/78/93/1091747893.db2.gz DMQKCUZQVOKVDB-ZBFHGGJFSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1OCC1CC1 ZINC001206806049 1091747898 /nfs/dbraw/zinc/74/78/98/1091747898.db2.gz DMQKCUZQVOKVDB-ZBFHGGJFSA-N 2 1 318.461 3.043 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)n21 ZINC001206807269 1091749479 /nfs/dbraw/zinc/74/94/79/1091749479.db2.gz ICLYFAFVBDKLFS-UONOGXRCSA-N 2 1 318.490 3.006 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)n21 ZINC001206807269 1091749486 /nfs/dbraw/zinc/74/94/86/1091749486.db2.gz ICLYFAFVBDKLFS-UONOGXRCSA-N 2 1 318.490 3.006 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1C ZINC001206812283 1091750700 /nfs/dbraw/zinc/75/07/00/1091750700.db2.gz YYTOQUZMVXXAIC-JKSUJKDBSA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1C ZINC001206812283 1091750707 /nfs/dbraw/zinc/75/07/07/1091750707.db2.gz YYTOQUZMVXXAIC-JKSUJKDBSA-N 2 1 305.466 3.128 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001085389393 1091762293 /nfs/dbraw/zinc/76/22/93/1091762293.db2.gz HEZPFBDSZJMOBM-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP C[N@H+]1CCC[C@H](CN2CCC3(CC[NH+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763562 /nfs/dbraw/zinc/76/35/62/1091763562.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763568 /nfs/dbraw/zinc/76/35/68/1091763568.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763576 /nfs/dbraw/zinc/76/35/76/1091763576.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 3 1 319.537 3.059 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CC[NH+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763584 /nfs/dbraw/zinc/76/35/84/1091763584.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 3 1 319.537 3.059 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC[NH+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763595 /nfs/dbraw/zinc/76/35/95/1091763595.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763598 /nfs/dbraw/zinc/76/35/98/1091763598.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763608 /nfs/dbraw/zinc/76/36/08/1091763608.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 2 1 319.537 3.059 20 0 DGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763615 /nfs/dbraw/zinc/76/36/15/1091763615.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 2 1 319.537 3.059 20 0 DGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001276497409 1091763620 /nfs/dbraw/zinc/76/36/20/1091763620.db2.gz KBFHEAGCZCVVMR-SFHVURJKSA-N 2 1 319.537 3.059 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)CC3CC[NH+](C)CC3)c2c1 ZINC001140270688 1091811551 /nfs/dbraw/zinc/81/15/51/1091811551.db2.gz NHEWZWIWNYNEJY-UHFFFAOYSA-N 2 1 315.461 3.340 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C)CC(C)(C)C ZINC001276503677 1091825320 /nfs/dbraw/zinc/82/53/20/1091825320.db2.gz HGXSMJARTGOFHS-BZSNNMDCSA-N 2 1 309.542 3.159 20 0 DGADMP C[C@H](CC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1)CC(C)(C)C ZINC001276503686 1091825922 /nfs/dbraw/zinc/82/59/22/1091825922.db2.gz HVHKTFHWNMHDIQ-GOSISDBHSA-N 2 1 323.569 3.408 20 0 DGADMP C[C@H]1CN(Cc2[nH+]cc3ccccn32)CC[N@@H+]1C1CCCCC1 ZINC001207055116 1091830190 /nfs/dbraw/zinc/83/01/90/1091830190.db2.gz DBHZZWBXZYHSJJ-INIZCTEOSA-N 2 1 312.461 3.173 20 0 DGADMP C[C@H]1CN(Cc2[nH+]cc3ccccn32)CC[N@H+]1C1CCCCC1 ZINC001207055116 1091830197 /nfs/dbraw/zinc/83/01/97/1091830197.db2.gz DBHZZWBXZYHSJJ-INIZCTEOSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453580 1091873012 /nfs/dbraw/zinc/87/30/12/1091873012.db2.gz ZJARNYWCUQPXSW-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453580 1091873016 /nfs/dbraw/zinc/87/30/16/1091873016.db2.gz ZJARNYWCUQPXSW-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453580 1091873022 /nfs/dbraw/zinc/87/30/22/1091873022.db2.gz ZJARNYWCUQPXSW-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453580 1091873028 /nfs/dbraw/zinc/87/30/28/1091873028.db2.gz ZJARNYWCUQPXSW-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140455148 1091874685 /nfs/dbraw/zinc/87/46/85/1091874685.db2.gz XXRMDQDXVNGBIZ-HOTGVXAUSA-N 2 1 313.470 3.194 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001276514036 1091892571 /nfs/dbraw/zinc/89/25/71/1091892571.db2.gz UPRYTWAHAHNVCV-AYHJJNSGSA-N 2 1 302.466 3.075 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001276514036 1091892579 /nfs/dbraw/zinc/89/25/79/1091892579.db2.gz UPRYTWAHAHNVCV-AYHJJNSGSA-N 2 1 302.466 3.075 20 0 DGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C[NH+](C)C ZINC001207281988 1091910474 /nfs/dbraw/zinc/91/04/74/1091910474.db2.gz BDWGHNZOFJAARP-LJQANCHMSA-N 2 1 317.521 3.028 20 0 DGADMP FC[C@@H]1C[C@H](F)C[N@@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288068 1091912850 /nfs/dbraw/zinc/91/28/50/1091912850.db2.gz ZOAQKIGYRXMPLL-ROUUACIJSA-N 2 1 308.416 3.281 20 0 DGADMP FC[C@@H]1C[C@H](F)C[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288068 1091912852 /nfs/dbraw/zinc/91/28/52/1091912852.db2.gz ZOAQKIGYRXMPLL-ROUUACIJSA-N 2 1 308.416 3.281 20 0 DGADMP C[N@@H+](CCc1ccncc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291569 1091913921 /nfs/dbraw/zinc/91/39/21/1091913921.db2.gz TXPSJKJGYLHVMU-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP CC(C)[C@H]1COCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292378 1091914732 /nfs/dbraw/zinc/91/47/32/1091914732.db2.gz QGKGREDNOQTSQA-HXUWFJFHSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001207335050 1091928239 /nfs/dbraw/zinc/92/82/39/1091928239.db2.gz WOZCPVWYCQPVJJ-SJORKVTESA-N 2 1 323.440 3.158 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276527651 1091942912 /nfs/dbraw/zinc/94/29/12/1091942912.db2.gz URMSAHPLAXEOLR-UHFFFAOYSA-N 2 1 304.482 3.134 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001207399602 1091953459 /nfs/dbraw/zinc/95/34/59/1091953459.db2.gz OKXSWECXIDGAFX-UHFFFAOYSA-N 2 1 312.379 3.405 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001207399596 1091954050 /nfs/dbraw/zinc/95/40/50/1091954050.db2.gz OEHDRFZXPKTWIR-UHFFFAOYSA-N 2 1 312.379 3.405 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276530404 1091955246 /nfs/dbraw/zinc/95/52/46/1091955246.db2.gz TYRLLPJYIYTWEU-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CC=C(CCCC(C)(C)O)CC3)C[C@@H]2C1 ZINC001207414522 1091959627 /nfs/dbraw/zinc/95/96/27/1091959627.db2.gz WCWYWZJZHHYKOT-GBESFXJTSA-N 2 1 320.521 3.148 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CC=C(CCCC(C)(C)O)CC3)C[C@@H]2C1 ZINC001207414522 1091959634 /nfs/dbraw/zinc/95/96/34/1091959634.db2.gz WCWYWZJZHHYKOT-GBESFXJTSA-N 2 1 320.521 3.148 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC=C(CCCC(C)(C)O)CC3)C[C@@H]2C1 ZINC001207414522 1091959645 /nfs/dbraw/zinc/95/96/45/1091959645.db2.gz WCWYWZJZHHYKOT-GBESFXJTSA-N 2 1 320.521 3.148 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCc1cccc(Cl)c1)CC2 ZINC001207423077 1091962702 /nfs/dbraw/zinc/96/27/02/1091962702.db2.gz CUBKFSMGUAPXAS-UHFFFAOYSA-N 2 1 321.852 3.013 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3c(Cl)ncc4ccccc43)C[C@H]2C1 ZINC001140726682 1091977330 /nfs/dbraw/zinc/97/73/30/1091977330.db2.gz RPNMIFDXEQDENH-GASCZTMLSA-N 2 1 315.848 3.272 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CCC3CC[NH+](C)CC3)C2)cc1 ZINC001207487472 1091985141 /nfs/dbraw/zinc/98/51/41/1091985141.db2.gz KEFYWWYRIHHLHF-GOSISDBHSA-N 2 1 302.462 3.216 20 0 DGADMP CC(C)c1noc([C@H]2CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)n1 ZINC001207486518 1091985218 /nfs/dbraw/zinc/98/52/18/1091985218.db2.gz JSNVNRTZPHHQEH-INIZCTEOSA-N 2 1 320.481 3.104 20 0 DGADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC001207489394 1091986015 /nfs/dbraw/zinc/98/60/15/1091986015.db2.gz ZQQAJFUWOBIWHK-QFBILLFUSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806118 1092011374 /nfs/dbraw/zinc/01/13/74/1092011374.db2.gz BIWPMHAEFAFABX-MRXNPFEDSA-N 2 1 322.412 3.310 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806118 1092011387 /nfs/dbraw/zinc/01/13/87/1092011387.db2.gz BIWPMHAEFAFABX-MRXNPFEDSA-N 2 1 322.412 3.310 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207539128 1092015773 /nfs/dbraw/zinc/01/57/73/1092015773.db2.gz XOTLTYLLDRLWBD-FQEVSTJZSA-N 2 1 316.489 3.113 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207539128 1092015782 /nfs/dbraw/zinc/01/57/82/1092015782.db2.gz XOTLTYLLDRLWBD-FQEVSTJZSA-N 2 1 316.489 3.113 20 0 DGADMP COc1ccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001207572349 1092025790 /nfs/dbraw/zinc/02/57/90/1092025790.db2.gz UFNVSFUPMKTXDX-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001140860624 1092035348 /nfs/dbraw/zinc/03/53/48/1092035348.db2.gz RFELZUPEHVFIBA-HZPDHXFCSA-N 2 1 315.486 3.257 20 0 DGADMP CN1CCC([N@H+](C)Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001140881948 1092046035 /nfs/dbraw/zinc/04/60/35/1092046035.db2.gz MQBGELKXYTZNKK-UHFFFAOYSA-N 2 1 320.330 3.250 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001140881948 1092046043 /nfs/dbraw/zinc/04/60/43/1092046043.db2.gz MQBGELKXYTZNKK-UHFFFAOYSA-N 2 1 320.330 3.250 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276403540 1092066229 /nfs/dbraw/zinc/06/62/29/1092066229.db2.gz CPQDROQKTUCJRS-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@H](C)CCCC(C)(C)O)C[C@@H]2C1 ZINC001207684329 1092068931 /nfs/dbraw/zinc/06/89/31/1092068931.db2.gz ZJBWZECGICHHPG-KURKYZTESA-N 2 1 310.526 3.227 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@H](C)CCCC(C)(C)O)C[C@@H]2C1 ZINC001207684329 1092068941 /nfs/dbraw/zinc/06/89/41/1092068941.db2.gz ZJBWZECGICHHPG-KURKYZTESA-N 2 1 310.526 3.227 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@H](C)CCCC(C)(C)O)C[C@@H]2C1 ZINC001207684329 1092068951 /nfs/dbraw/zinc/06/89/51/1092068951.db2.gz ZJBWZECGICHHPG-KURKYZTESA-N 2 1 310.526 3.227 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140980079 1092090764 /nfs/dbraw/zinc/09/07/64/1092090764.db2.gz MCQLMVLUDHKZGA-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140980079 1092090777 /nfs/dbraw/zinc/09/07/77/1092090777.db2.gz MCQLMVLUDHKZGA-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)ccc2O1 ZINC001207837650 1092112623 /nfs/dbraw/zinc/11/26/23/1092112623.db2.gz RPWVZDGFRTZBIQ-CQSZACIVSA-N 2 1 302.462 3.363 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)ccc2O1 ZINC001207837650 1092112629 /nfs/dbraw/zinc/11/26/29/1092112629.db2.gz RPWVZDGFRTZBIQ-CQSZACIVSA-N 2 1 302.462 3.363 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001207843856 1092117124 /nfs/dbraw/zinc/11/71/24/1092117124.db2.gz HFRASIMYFZMWFC-WUHBCXKYSA-N 2 1 323.484 3.486 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207851141 1092120658 /nfs/dbraw/zinc/12/06/58/1092120658.db2.gz TZYZNLRGBXVZOM-ROUUACIJSA-N 2 1 318.461 3.135 20 0 DGADMP c1nc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131911 1092146562 /nfs/dbraw/zinc/14/65/62/1092146562.db2.gz OLGZABFLJRTRGT-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131911 1092146568 /nfs/dbraw/zinc/14/65/68/1092146568.db2.gz OLGZABFLJRTRGT-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131911 1092146575 /nfs/dbraw/zinc/14/65/75/1092146575.db2.gz OLGZABFLJRTRGT-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131911 1092146580 /nfs/dbraw/zinc/14/65/80/1092146580.db2.gz OLGZABFLJRTRGT-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc4c(c3)CCC(C)(C)O4)C[C@H]2C1 ZINC001141185062 1092165223 /nfs/dbraw/zinc/16/52/23/1092165223.db2.gz ASPGGKVQCFNADO-HDICACEKSA-N 2 1 314.473 3.174 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141185062 1092165227 /nfs/dbraw/zinc/16/52/27/1092165227.db2.gz ASPGGKVQCFNADO-HDICACEKSA-N 2 1 314.473 3.174 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141185062 1092165232 /nfs/dbraw/zinc/16/52/32/1092165232.db2.gz ASPGGKVQCFNADO-HDICACEKSA-N 2 1 314.473 3.174 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141185062 1092165239 /nfs/dbraw/zinc/16/52/39/1092165239.db2.gz ASPGGKVQCFNADO-HDICACEKSA-N 2 1 314.473 3.174 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141185062 1092165243 /nfs/dbraw/zinc/16/52/43/1092165243.db2.gz ASPGGKVQCFNADO-HDICACEKSA-N 2 1 314.473 3.174 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC001141263736 1092194135 /nfs/dbraw/zinc/19/41/35/1092194135.db2.gz GOEKBAZCVQTMMP-UHFFFAOYSA-N 2 1 303.494 3.305 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001208105739 1092197540 /nfs/dbraw/zinc/19/75/40/1092197540.db2.gz BBMDYNTVRGLZEG-HNNXBMFYSA-N 2 1 324.415 3.150 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208107635 1092198439 /nfs/dbraw/zinc/19/84/39/1092198439.db2.gz XHDYSDOSPBRBCW-QGZVFWFLSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)c1noc([C@@H]2CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)n1 ZINC001208108303 1092198896 /nfs/dbraw/zinc/19/88/96/1092198896.db2.gz DPOPKDYUWHWARI-OAHLLOKOSA-N 2 1 320.481 3.104 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)cc1 ZINC001208109150 1092199213 /nfs/dbraw/zinc/19/92/13/1092199213.db2.gz LZGQACQGXOGXQM-KRWDZBQOSA-N 2 1 302.462 3.216 20 0 DGADMP C[NH+]1CCC(C)(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208110945 1092200306 /nfs/dbraw/zinc/20/03/06/1092200306.db2.gz ZLZSHXKRWSZIJV-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C)(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001208110945 1092200313 /nfs/dbraw/zinc/20/03/13/1092200313.db2.gz ZLZSHXKRWSZIJV-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C)(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208110945 1092200319 /nfs/dbraw/zinc/20/03/19/1092200319.db2.gz ZLZSHXKRWSZIJV-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP Cc1cc(N2CC[NH+](CCc3c(F)cccc3F)CC2)cc[nH+]1 ZINC001208118275 1092201585 /nfs/dbraw/zinc/20/15/85/1092201585.db2.gz LNHRFPHJMNGXMJ-UHFFFAOYSA-N 2 1 317.383 3.033 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(OC(C)(C)C)n1)CC2 ZINC001276557826 1092206603 /nfs/dbraw/zinc/20/66/03/1092206603.db2.gz CVRSAFBJIMGPMG-UHFFFAOYSA-N 2 1 317.477 3.177 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001208142176 1092216738 /nfs/dbraw/zinc/21/67/38/1092216738.db2.gz NJNJIEXRGHYGJA-RBSFLKMASA-N 2 1 310.532 3.253 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)C[C@H]2CC1 ZINC001276559278 1092221718 /nfs/dbraw/zinc/22/17/18/1092221718.db2.gz UJZQFOAVXXYXGO-IYBDPMFKSA-N 2 1 317.477 3.033 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)n3)C[C@H]2CC1 ZINC001276559278 1092221726 /nfs/dbraw/zinc/22/17/26/1092221726.db2.gz UJZQFOAVXXYXGO-IYBDPMFKSA-N 2 1 317.477 3.033 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OC(C)(C)C)n3)C[C@H]2CC1 ZINC001276559278 1092221738 /nfs/dbraw/zinc/22/17/38/1092221738.db2.gz UJZQFOAVXXYXGO-IYBDPMFKSA-N 2 1 317.477 3.033 20 0 DGADMP Cc1ccccc1N1CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208182017 1092245792 /nfs/dbraw/zinc/24/57/92/1092245792.db2.gz KNMKOSFZIJLGTL-UHFFFAOYSA-N 2 1 315.505 3.239 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184110 1092247343 /nfs/dbraw/zinc/24/73/43/1092247343.db2.gz JCEUJSIVLILNQU-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP COc1ccc2c(c1)C[N@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184110 1092247352 /nfs/dbraw/zinc/24/73/52/1092247352.db2.gz JCEUJSIVLILNQU-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(c2ccccc2)CCOCC1 ZINC001208226030 1092281806 /nfs/dbraw/zinc/28/18/06/1092281806.db2.gz AOROSEKEQUPOTJ-UHFFFAOYSA-N 2 1 316.489 3.008 20 0 DGADMP Fc1ccc2occ(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001141847062 1092347402 /nfs/dbraw/zinc/34/74/02/1092347402.db2.gz VQJPWJLEEXQASD-UHFFFAOYSA-N 2 1 311.360 3.289 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001168842018 1092392073 /nfs/dbraw/zinc/39/20/73/1092392073.db2.gz LKXSMRGJBALRFG-KRWDZBQOSA-N 2 1 321.428 3.036 20 0 DGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001208582604 1092408814 /nfs/dbraw/zinc/40/88/14/1092408814.db2.gz LDRGWFKIOPMGOQ-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588437 1092413742 /nfs/dbraw/zinc/41/37/42/1092413742.db2.gz HWEPKKNNOLALDJ-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001208597967 1092419908 /nfs/dbraw/zinc/41/99/08/1092419908.db2.gz ODSOTNQSABCKHY-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001208600441 1092420289 /nfs/dbraw/zinc/42/02/89/1092420289.db2.gz SLGHYAPFDZJSBS-LJQANCHMSA-N 3 1 307.526 3.059 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607369 1092424117 /nfs/dbraw/zinc/42/41/17/1092424117.db2.gz MQQPLVDABJYBBL-QZTJIDSGSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607369 1092424126 /nfs/dbraw/zinc/42/41/26/1092424126.db2.gz MQQPLVDABJYBBL-QZTJIDSGSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607369 1092424129 /nfs/dbraw/zinc/42/41/29/1092424129.db2.gz MQQPLVDABJYBBL-QZTJIDSGSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC001208608274 1092425279 /nfs/dbraw/zinc/42/52/79/1092425279.db2.gz PTKOVZFZJDXWEZ-HNNXBMFYSA-N 2 1 306.425 3.011 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001208613055 1092428755 /nfs/dbraw/zinc/42/87/55/1092428755.db2.gz OLGSQKUPPCRCQK-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001208613055 1092428764 /nfs/dbraw/zinc/42/87/64/1092428764.db2.gz OLGSQKUPPCRCQK-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001208613055 1092428774 /nfs/dbraw/zinc/42/87/74/1092428774.db2.gz OLGSQKUPPCRCQK-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001208613049 1092429130 /nfs/dbraw/zinc/42/91/30/1092429130.db2.gz OLGSQKUPPCRCQK-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001208613049 1092429138 /nfs/dbraw/zinc/42/91/38/1092429138.db2.gz OLGSQKUPPCRCQK-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001208613049 1092429146 /nfs/dbraw/zinc/42/91/46/1092429146.db2.gz OLGSQKUPPCRCQK-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1 ZINC001208618815 1092432396 /nfs/dbraw/zinc/43/23/96/1092432396.db2.gz SJDXFGAQYAQCKC-SJLPKXTDSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208618815 1092432406 /nfs/dbraw/zinc/43/24/06/1092432406.db2.gz SJDXFGAQYAQCKC-SJLPKXTDSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208618815 1092432446 /nfs/dbraw/zinc/43/24/46/1092432446.db2.gz SJDXFGAQYAQCKC-SJLPKXTDSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)CC(C)(C)C ZINC001208659255 1092442293 /nfs/dbraw/zinc/44/22/93/1092442293.db2.gz HGXSMJARTGOFHS-KSZLIROESA-N 2 1 309.542 3.159 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001208727870 1092475507 /nfs/dbraw/zinc/47/55/07/1092475507.db2.gz TVADHSZEMSDMEL-ARJAWSKDSA-N 2 1 318.461 3.303 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001208727870 1092475514 /nfs/dbraw/zinc/47/55/14/1092475514.db2.gz TVADHSZEMSDMEL-ARJAWSKDSA-N 2 1 318.461 3.303 20 0 DGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCCC(C)C)CC2)C1 ZINC001208733436 1092478343 /nfs/dbraw/zinc/47/83/43/1092478343.db2.gz CPYFIXHRXUSBNZ-QGZVFWFLSA-N 2 1 324.509 3.162 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCc1ccc(Cl)cc1)CC2 ZINC001208743838 1092485866 /nfs/dbraw/zinc/48/58/66/1092485866.db2.gz JWMRWOFAWGRZHK-UHFFFAOYSA-N 2 1 321.852 3.013 20 0 DGADMP Cc1cnc(C[NH3+])n1-c1cc[nH+]c2ccc(C(F)(F)F)cc21 ZINC001169029918 1092494988 /nfs/dbraw/zinc/49/49/88/1092494988.db2.gz YKBLEQNAQINFFG-UHFFFAOYSA-N 2 1 306.291 3.206 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208789100 1092509570 /nfs/dbraw/zinc/50/95/70/1092509570.db2.gz REVYTMGHCURSNG-MRXNPFEDSA-N 2 1 312.498 3.018 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)cc1 ZINC001142604109 1092510592 /nfs/dbraw/zinc/51/05/92/1092510592.db2.gz UQXGSJZDBJYWQR-UHFFFAOYSA-N 2 1 318.461 3.168 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCCCOCc1ccccc1)C2 ZINC001208815074 1092523084 /nfs/dbraw/zinc/52/30/84/1092523084.db2.gz OACUKJWHKYONIC-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1cccc3ccccc31)C2 ZINC001169099920 1092528282 /nfs/dbraw/zinc/52/82/82/1092528282.db2.gz WSWYEBXZLQBPLN-BCDXTJNWSA-N 2 1 310.441 3.433 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ccccn3)cc1)C2 ZINC001169100724 1092533050 /nfs/dbraw/zinc/53/30/50/1092533050.db2.gz LZFTXGJFENKSHG-REPLKXPHSA-N 2 1 307.441 3.463 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC001169089246 1092537744 /nfs/dbraw/zinc/53/77/44/1092537744.db2.gz ACKKCNLAIBULFQ-FNLKRUPLSA-N 2 1 324.472 3.204 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C2 ZINC001169091746 1092540168 /nfs/dbraw/zinc/54/01/68/1092540168.db2.gz UUIOZQAZHNKOFU-CNDDSTCGSA-N 2 1 300.233 3.103 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C2 ZINC001169091746 1092540178 /nfs/dbraw/zinc/54/01/78/1092540178.db2.gz UUIOZQAZHNKOFU-CNDDSTCGSA-N 2 1 300.233 3.103 20 0 DGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC001169091495 1092540675 /nfs/dbraw/zinc/54/06/75/1092540675.db2.gz OUOPOPHIJQZHBJ-UHFFFAOYSA-N 2 1 309.454 3.025 20 0 DGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC001169091495 1092540683 /nfs/dbraw/zinc/54/06/83/1092540683.db2.gz OUOPOPHIJQZHBJ-UHFFFAOYSA-N 2 1 309.454 3.025 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118751 1092542161 /nfs/dbraw/zinc/54/21/61/1092542161.db2.gz MSPBTUQFWIJJLI-CCQCEHTISA-N 2 1 319.537 3.374 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118751 1092542172 /nfs/dbraw/zinc/54/21/72/1092542172.db2.gz MSPBTUQFWIJJLI-CCQCEHTISA-N 3 1 319.537 3.374 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118751 1092542184 /nfs/dbraw/zinc/54/21/84/1092542184.db2.gz MSPBTUQFWIJJLI-CCQCEHTISA-N 3 1 319.537 3.374 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118751 1092542188 /nfs/dbraw/zinc/54/21/88/1092542188.db2.gz MSPBTUQFWIJJLI-CCQCEHTISA-N 3 1 319.537 3.374 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118751 1092542199 /nfs/dbraw/zinc/54/21/99/1092542199.db2.gz MSPBTUQFWIJJLI-CCQCEHTISA-N 3 1 319.537 3.374 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(COc3ccccc3)CC1)C2 ZINC001169139272 1092550807 /nfs/dbraw/zinc/55/08/07/1092550807.db2.gz AIHKXRWHXMSDOR-REPLKXPHSA-N 2 1 314.473 3.403 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccccc3)C1)C2 ZINC001169140778 1092556612 /nfs/dbraw/zinc/55/66/12/1092556612.db2.gz LYOIACGKWXNYBO-VUHPKUFZSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccccc3)C1)C2 ZINC001169140778 1092556623 /nfs/dbraw/zinc/55/66/23/1092556623.db2.gz LYOIACGKWXNYBO-VUHPKUFZSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3ccccc3)C1)C2 ZINC001169140778 1092556627 /nfs/dbraw/zinc/55/66/27/1092556627.db2.gz LYOIACGKWXNYBO-VUHPKUFZSA-N 2 1 300.446 3.155 20 0 DGADMP Cc1ccc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169143333 1092558208 /nfs/dbraw/zinc/55/82/08/1092558208.db2.gz ZXIMZOSIYZKBBV-BCDXTJNWSA-N 2 1 314.473 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1CC[NH2+]C3)C2 ZINC001169142642 1092559994 /nfs/dbraw/zinc/55/99/94/1092559994.db2.gz FDTDGAMUSMISMP-FICVDOATSA-N 2 1 313.420 3.224 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142348 1092560328 /nfs/dbraw/zinc/56/03/28/1092560328.db2.gz TUSFDPUZQQAWFE-XMTFNYHQSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142348 1092560339 /nfs/dbraw/zinc/56/03/39/1092560339.db2.gz TUSFDPUZQQAWFE-XMTFNYHQSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142348 1092560347 /nfs/dbraw/zinc/56/03/47/1092560347.db2.gz TUSFDPUZQQAWFE-XMTFNYHQSA-N 2 1 300.446 3.073 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208882964 1092564055 /nfs/dbraw/zinc/56/40/55/1092564055.db2.gz QASUOGNSQQPXDW-ZCNNSNEGSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208882964 1092564066 /nfs/dbraw/zinc/56/40/66/1092564066.db2.gz QASUOGNSQQPXDW-ZCNNSNEGSA-N 2 1 312.457 3.133 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169156278 1092570532 /nfs/dbraw/zinc/57/05/32/1092570532.db2.gz WPHIDYIWPBXHJZ-DZJNRPSUSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156278 1092570538 /nfs/dbraw/zinc/57/05/38/1092570538.db2.gz WPHIDYIWPBXHJZ-DZJNRPSUSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156278 1092570543 /nfs/dbraw/zinc/57/05/43/1092570543.db2.gz WPHIDYIWPBXHJZ-DZJNRPSUSA-N 2 1 302.462 3.183 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001169140482 1092575956 /nfs/dbraw/zinc/57/59/56/1092575956.db2.gz KGCJCYWWLBYDKG-MUQADHOPSA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001169140482 1092575964 /nfs/dbraw/zinc/57/59/64/1092575964.db2.gz KGCJCYWWLBYDKG-MUQADHOPSA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001169140482 1092575974 /nfs/dbraw/zinc/57/59/74/1092575974.db2.gz KGCJCYWWLBYDKG-MUQADHOPSA-N 2 1 317.502 3.263 20 0 DGADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001208917577 1092584750 /nfs/dbraw/zinc/58/47/50/1092584750.db2.gz GVGCBIXUFZWDTB-GASCZTMLSA-N 2 1 320.502 3.117 20 0 DGADMP COC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931243 1092592456 /nfs/dbraw/zinc/59/24/56/1092592456.db2.gz IPTDSGPPTJSVPJ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931243 1092592468 /nfs/dbraw/zinc/59/24/68/1092592468.db2.gz IPTDSGPPTJSVPJ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931243 1092592481 /nfs/dbraw/zinc/59/24/81/1092592481.db2.gz IPTDSGPPTJSVPJ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931243 1092592489 /nfs/dbraw/zinc/59/24/89/1092592489.db2.gz IPTDSGPPTJSVPJ-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@]1(O)CCCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931126 1092592755 /nfs/dbraw/zinc/59/27/55/1092592755.db2.gz HRBOLHBNVQZGRY-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931126 1092592765 /nfs/dbraw/zinc/59/27/65/1092592765.db2.gz HRBOLHBNVQZGRY-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931126 1092592771 /nfs/dbraw/zinc/59/27/71/1092592771.db2.gz HRBOLHBNVQZGRY-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC001169230105 1092602378 /nfs/dbraw/zinc/60/23/78/1092602378.db2.gz QBLQAJQAZOFZGC-LJQANCHMSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@@H+](CCc1cccnc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940525 1092602749 /nfs/dbraw/zinc/60/27/49/1092602749.db2.gz TTZNLJZGOKTKDF-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940525 1092602755 /nfs/dbraw/zinc/60/27/55/1092602755.db2.gz TTZNLJZGOKTKDF-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940525 1092602758 /nfs/dbraw/zinc/60/27/58/1092602758.db2.gz TTZNLJZGOKTKDF-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(C)c1 ZINC001276601962 1092603205 /nfs/dbraw/zinc/60/32/05/1092603205.db2.gz QDLPIDQHBYKPFV-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP FC[C@H]1[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208940096 1092603301 /nfs/dbraw/zinc/60/33/01/1092603301.db2.gz PAKXCPXIZLQQPU-CADBVGFASA-N 2 1 302.437 3.046 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208940096 1092603305 /nfs/dbraw/zinc/60/33/05/1092603305.db2.gz PAKXCPXIZLQQPU-CADBVGFASA-N 2 1 302.437 3.046 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208940096 1092603309 /nfs/dbraw/zinc/60/33/09/1092603309.db2.gz PAKXCPXIZLQQPU-CADBVGFASA-N 2 1 302.437 3.046 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2cccc3ccccc32)CC1 ZINC001169230283 1092603869 /nfs/dbraw/zinc/60/38/69/1092603869.db2.gz VTBWKQXADFFIJI-HXUWFJFHSA-N 2 1 312.457 3.337 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945607 1092605274 /nfs/dbraw/zinc/60/52/74/1092605274.db2.gz RXCOQYFNLAOEAT-UYAOXDASSA-N 2 1 314.473 3.009 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948084 1092605545 /nfs/dbraw/zinc/60/55/45/1092605545.db2.gz DVZZGGFEHUUKDI-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948084 1092605549 /nfs/dbraw/zinc/60/55/49/1092605549.db2.gz DVZZGGFEHUUKDI-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948089 1092605664 /nfs/dbraw/zinc/60/56/64/1092605664.db2.gz NOROBWIPRWMBCQ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948089 1092605668 /nfs/dbraw/zinc/60/56/68/1092605668.db2.gz NOROBWIPRWMBCQ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948089 1092605672 /nfs/dbraw/zinc/60/56/72/1092605672.db2.gz NOROBWIPRWMBCQ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948089 1092605676 /nfs/dbraw/zinc/60/56/76/1092605676.db2.gz NOROBWIPRWMBCQ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CC1(C)C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208947836 1092606293 /nfs/dbraw/zinc/60/62/93/1092606293.db2.gz DKOLSNAWHURQFP-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CC1(C)C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208947836 1092606295 /nfs/dbraw/zinc/60/62/95/1092606295.db2.gz DKOLSNAWHURQFP-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CC1(C)C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208947836 1092606298 /nfs/dbraw/zinc/60/62/98/1092606298.db2.gz DKOLSNAWHURQFP-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP FC1(F)C[C@@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208950620 1092609947 /nfs/dbraw/zinc/60/99/47/1092609947.db2.gz VYDYUDLKZKEHCH-IAGOWNOFSA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208950620 1092609948 /nfs/dbraw/zinc/60/99/48/1092609948.db2.gz VYDYUDLKZKEHCH-IAGOWNOFSA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208950620 1092609954 /nfs/dbraw/zinc/60/99/54/1092609954.db2.gz VYDYUDLKZKEHCH-IAGOWNOFSA-N 2 1 306.400 3.240 20 0 DGADMP CCN1CCC([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001169241348 1092612278 /nfs/dbraw/zinc/61/22/78/1092612278.db2.gz VXOFDRKNJFACEY-UHFFFAOYSA-N 2 1 311.429 3.448 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208965024 1092613300 /nfs/dbraw/zinc/61/33/00/1092613300.db2.gz VJNOVUUQBNTPRM-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208965024 1092613303 /nfs/dbraw/zinc/61/33/03/1092613303.db2.gz VJNOVUUQBNTPRM-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208965024 1092613306 /nfs/dbraw/zinc/61/33/06/1092613306.db2.gz VJNOVUUQBNTPRM-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001169244435 1092613996 /nfs/dbraw/zinc/61/39/96/1092613996.db2.gz OISILQRLOGMRNW-JKSUJKDBSA-N 2 1 323.278 3.379 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2n[nH]cc21 ZINC001143097139 1092613818 /nfs/dbraw/zinc/61/38/18/1092613818.db2.gz QHQBCZLDRCPCBK-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2n[nH]cc21 ZINC001143097139 1092613821 /nfs/dbraw/zinc/61/38/21/1092613821.db2.gz QHQBCZLDRCPCBK-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2n[nH]cc21 ZINC001143097139 1092613827 /nfs/dbraw/zinc/61/38/27/1092613827.db2.gz QHQBCZLDRCPCBK-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001169258982 1092620284 /nfs/dbraw/zinc/62/02/84/1092620284.db2.gz XGFUTYVJMFGLPZ-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001169258982 1092620288 /nfs/dbraw/zinc/62/02/88/1092620288.db2.gz XGFUTYVJMFGLPZ-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccn1Cc1ccccc1)CC2 ZINC001276609080 1092628156 /nfs/dbraw/zinc/62/81/56/1092628156.db2.gz WUVADZICMURZIH-UHFFFAOYSA-N 2 1 323.484 3.454 20 0 DGADMP COC(=O)CCCCCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209097348 1092651484 /nfs/dbraw/zinc/65/14/84/1092651484.db2.gz WVSDIYUGCWVSBD-UHFFFAOYSA-N 2 1 324.509 3.450 20 0 DGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c2ccccc21 ZINC001169369290 1092657402 /nfs/dbraw/zinc/65/74/02/1092657402.db2.gz ZWAAYIXUMWGMEM-SUMWQHHRSA-N 2 1 323.444 3.065 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001206011737 1092688455 /nfs/dbraw/zinc/68/84/55/1092688455.db2.gz FWYRWAONYLOFQC-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276635772 1092741101 /nfs/dbraw/zinc/74/11/01/1092741101.db2.gz WBVKKFZVRYMWGV-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2[nH]cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276635772 1092741096 /nfs/dbraw/zinc/74/10/96/1092741096.db2.gz WBVKKFZVRYMWGV-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2[nH]cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001276635772 1092741106 /nfs/dbraw/zinc/74/11/06/1092741106.db2.gz WBVKKFZVRYMWGV-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2[nH]cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC001276635772 1092741110 /nfs/dbraw/zinc/74/11/10/1092741110.db2.gz WBVKKFZVRYMWGV-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2c1 ZINC001206632674 1092746703 /nfs/dbraw/zinc/74/67/03/1092746703.db2.gz NNCOFKVXAZNHRD-KRWDZBQOSA-N 2 1 311.473 3.467 20 0 DGADMP COC1CCC(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)CC1 ZINC001209401421 1092758320 /nfs/dbraw/zinc/75/83/20/1092758320.db2.gz PXKYTGKYZVUOIT-OFLPRAFFSA-N 2 1 304.434 3.048 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001206633351 1092767762 /nfs/dbraw/zinc/76/77/62/1092767762.db2.gz WOSGCKALPZYNPX-LLVKDONJSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001206633351 1092767766 /nfs/dbraw/zinc/76/77/66/1092767766.db2.gz WOSGCKALPZYNPX-LLVKDONJSA-N 2 1 320.330 3.285 20 0 DGADMP CSc1cc(C)c(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276653332 1092815151 /nfs/dbraw/zinc/81/51/51/1092815151.db2.gz VDRVZTMAZZRXBV-GOSISDBHSA-N 2 1 319.518 3.420 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574572 1092830668 /nfs/dbraw/zinc/83/06/68/1092830668.db2.gz QRPYVYOSTSQLRN-FQEVSTJZSA-N 2 1 309.457 3.421 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574572 1092830683 /nfs/dbraw/zinc/83/06/83/1092830683.db2.gz QRPYVYOSTSQLRN-FQEVSTJZSA-N 2 1 309.457 3.421 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574572 1092830697 /nfs/dbraw/zinc/83/06/97/1092830697.db2.gz QRPYVYOSTSQLRN-FQEVSTJZSA-N 2 1 309.457 3.421 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574572 1092830706 /nfs/dbraw/zinc/83/07/06/1092830706.db2.gz QRPYVYOSTSQLRN-FQEVSTJZSA-N 2 1 309.457 3.421 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2c1 ZINC001206639101 1092869150 /nfs/dbraw/zinc/86/91/50/1092869150.db2.gz BJGONLLMQYNIRK-ZDUSSCGKSA-N 2 1 304.459 3.471 20 0 DGADMP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)cc1Cl ZINC001209663518 1092869679 /nfs/dbraw/zinc/86/96/79/1092869679.db2.gz FBYWJLKTRPLSFS-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001206640733 1092888603 /nfs/dbraw/zinc/88/86/03/1092888603.db2.gz LYWSXQXIGIQQMH-OAHLLOKOSA-N 2 1 318.852 3.087 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001206640751 1092888885 /nfs/dbraw/zinc/88/88/85/1092888885.db2.gz MTWDMNGLHNTVRW-CQSZACIVSA-N 2 1 301.409 3.382 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001209725391 1092892633 /nfs/dbraw/zinc/89/26/33/1092892633.db2.gz JUEFPRZSNTXWAQ-PXNSSMCTSA-N 2 1 323.440 3.033 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001209725391 1092892640 /nfs/dbraw/zinc/89/26/40/1092892640.db2.gz JUEFPRZSNTXWAQ-PXNSSMCTSA-N 2 1 323.440 3.033 20 0 DGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210790148 1093283615 /nfs/dbraw/zinc/28/36/15/1093283615.db2.gz VFRPNZAHUWKHLJ-JTHGQSKGSA-N 2 1 323.525 3.045 20 0 DGADMP COc1cccc(CC[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276710321 1093752479 /nfs/dbraw/zinc/75/24/79/1093752479.db2.gz ULXQGLRKMZWDDJ-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP C([C@H]1CCCOC1)[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276720129 1093947892 /nfs/dbraw/zinc/94/78/92/1093947892.db2.gz RHMPCUCICPTUJC-QGZVFWFLSA-N 2 1 306.494 3.144 20 0 DGADMP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000305247903 1093962464 /nfs/dbraw/zinc/96/24/64/1093962464.db2.gz FSANPZFCYFBNCE-LJQANCHMSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000305247902 1093962653 /nfs/dbraw/zinc/96/26/53/1093962653.db2.gz FSANPZFCYFBNCE-IBGZPJMESA-N 2 1 318.505 3.284 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4ccccc4s3)(C1)CCC2 ZINC001276746059 1094247107 /nfs/dbraw/zinc/24/71/07/1094247107.db2.gz IJIZLWWPOMLPDP-DLBZAZTESA-N 2 1 301.459 3.451 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001119954887 1094321038 /nfs/dbraw/zinc/32/10/38/1094321038.db2.gz SJUKEZWIYCQDQT-MRXNPFEDSA-N 2 1 301.409 3.056 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3NCCC4)C[C@H]2C1 ZINC001119988062 1094336787 /nfs/dbraw/zinc/33/67/87/1094336787.db2.gz FCQVVRWLSJVINI-QXAKKESOSA-N 2 1 313.489 3.207 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc(C)c1O ZINC001119989936 1094338004 /nfs/dbraw/zinc/33/80/04/1094338004.db2.gz UANDCMLOUZFFTI-KSZLIROESA-N 2 1 302.462 3.171 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(O)c3Cl)C[C@H]2C1 ZINC001120070829 1094370916 /nfs/dbraw/zinc/37/09/16/1094370916.db2.gz CIEQBBBHTNXDHF-BPLDGKMQSA-N 2 1 308.853 3.208 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC001120072319 1094370948 /nfs/dbraw/zinc/37/09/48/1094370948.db2.gz UAJDMNUVRVYILN-GBESFXJTSA-N 2 1 309.457 3.397 20 0 DGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207688 1094390168 /nfs/dbraw/zinc/39/01/68/1094390168.db2.gz ARRVFWKYAPGKEM-SREVYHEPSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC001170803354 1094449540 /nfs/dbraw/zinc/44/95/40/1094449540.db2.gz HEDUNTUZHWXKIV-YZGWKJHDSA-N 2 1 316.489 3.303 20 0 DGADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(-c2ccc(Oc3ccccc3)cc2)o1 ZINC001217696615 1094473741 /nfs/dbraw/zinc/47/37/41/1094473741.db2.gz QLGQBXYNBFDKIB-MRXNPFEDSA-N 2 1 324.384 3.268 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217698715 1094476167 /nfs/dbraw/zinc/47/61/67/1094476167.db2.gz GFZMAXOEZBQTIV-MJBXVCDLSA-N 2 1 320.824 3.123 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](OCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217761833 1094491633 /nfs/dbraw/zinc/49/16/33/1094491633.db2.gz AZGDOVRNZCTQFH-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001217773386 1094494376 /nfs/dbraw/zinc/49/43/76/1094494376.db2.gz OPINRLICISCOGD-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@H]2CCC[NH2+]2)cc1 ZINC001217808292 1094498643 /nfs/dbraw/zinc/49/86/43/1094498643.db2.gz CWBMZMBSSKJGSQ-BMHONFFRSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823018 1094500338 /nfs/dbraw/zinc/50/03/38/1094500338.db2.gz KBMQUSCSZYZOHI-ICSRJNTNSA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)(C[NH3+])COC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001217827553 1094501547 /nfs/dbraw/zinc/50/15/47/1094501547.db2.gz MXDYVUVCFFUWTB-UHFFFAOYSA-N 2 1 324.468 3.462 20 0 DGADMP [NH3+][C@H]1CC[C@H](CO[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001217912895 1094517056 /nfs/dbraw/zinc/51/70/56/1094517056.db2.gz WPJDFHWNXUTTEA-XIRDDKMYSA-N 2 1 322.880 3.448 20 0 DGADMP CC1(CO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001217912934 1094517304 /nfs/dbraw/zinc/51/73/04/1094517304.db2.gz WZYOJSRFAUFEIR-KRWDZBQOSA-N 2 1 322.880 3.321 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276765153 1094520203 /nfs/dbraw/zinc/52/02/03/1094520203.db2.gz RVZSOLGAKJNWLI-MJGOQNOKSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276765153 1094520211 /nfs/dbraw/zinc/52/02/11/1094520211.db2.gz RVZSOLGAKJNWLI-MJGOQNOKSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276765153 1094520217 /nfs/dbraw/zinc/52/02/17/1094520217.db2.gz RVZSOLGAKJNWLI-MJGOQNOKSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276765289 1094522345 /nfs/dbraw/zinc/52/23/45/1094522345.db2.gz UJEMNCUKRPHGIG-OKZBNKHCSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276765289 1094522350 /nfs/dbraw/zinc/52/23/50/1094522350.db2.gz UJEMNCUKRPHGIG-OKZBNKHCSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276765289 1094522354 /nfs/dbraw/zinc/52/23/54/1094522354.db2.gz UJEMNCUKRPHGIG-OKZBNKHCSA-N 2 1 310.526 3.227 20 0 DGADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678406 1094628047 /nfs/dbraw/zinc/62/80/47/1094628047.db2.gz DVOIHMNULXSCSM-HOTGVXAUSA-N 2 1 322.497 3.035 20 0 DGADMP CC[C@@]1(c2cccc(O[C@H](C)C3C[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218198802 1094655235 /nfs/dbraw/zinc/65/52/35/1094655235.db2.gz ROWWBBYGFJRZIQ-OXQOHEQNSA-N 2 1 316.489 3.437 20 0 DGADMP CC1([NH3+])CC[NH+]([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170857392 1094712989 /nfs/dbraw/zinc/71/29/89/1094712989.db2.gz QEZUCGJNYOMKGZ-OAHLLOKOSA-N 2 1 323.278 3.120 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218334478 1094723854 /nfs/dbraw/zinc/72/38/54/1094723854.db2.gz AQQPTZGBAFJGSA-UZLBHIALSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1C[NH3+] ZINC001218337329 1094724770 /nfs/dbraw/zinc/72/47/70/1094724770.db2.gz XDTPIJKDPYBFSX-LPHOPBHVSA-N 2 1 310.441 3.435 20 0 DGADMP c1ccc2c(c1)CN1CC[C@H](Oc3ccc4c(c3)CC[NH2+]C4)C1=[NH+]2 ZINC001218359762 1094735448 /nfs/dbraw/zinc/73/54/48/1094735448.db2.gz XPTHWOFBZBJNPK-IBGZPJMESA-N 2 1 319.408 3.029 20 0 DGADMP [NH3+]Cc1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001218442699 1094776538 /nfs/dbraw/zinc/77/65/38/1094776538.db2.gz UUAFSOKWDHUZFO-HMXCVIKNSA-N 2 1 322.452 3.435 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000309748433 1094782502 /nfs/dbraw/zinc/78/25/02/1094782502.db2.gz YNXPFFZQYDGURJ-MTEHYEEQSA-N 2 1 314.473 3.054 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(CC)CC ZINC001135996988 1094786820 /nfs/dbraw/zinc/78/68/20/1094786820.db2.gz WRWUCEZUXACFDI-CVEARBPZSA-N 2 1 313.530 3.027 20 0 DGADMP COc1ccc(Cl)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276787963 1094821668 /nfs/dbraw/zinc/82/16/68/1094821668.db2.gz HSDXBVODSAQXJB-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276796597 1094880917 /nfs/dbraw/zinc/88/09/17/1094880917.db2.gz NVYVZZJYQKBRPX-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218995275 1094922826 /nfs/dbraw/zinc/92/28/26/1094922826.db2.gz DWDZRQWVPLZBHC-QGZVFWFLSA-N 2 1 317.477 3.214 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246095233 1095011748 /nfs/dbraw/zinc/01/17/48/1095011748.db2.gz DRJGHVQRZMVTRR-ZUZCIYMTSA-N 2 1 302.796 3.281 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000313676985 1095016318 /nfs/dbraw/zinc/01/63/18/1095016318.db2.gz JJZUHDLFYBNYEI-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000313676985 1095016329 /nfs/dbraw/zinc/01/63/29/1095016329.db2.gz JJZUHDLFYBNYEI-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCCCn2cc(C)cn2)CC1 ZINC000111234927 1095031763 /nfs/dbraw/zinc/03/17/63/1095031763.db2.gz SWDOBEJUANDWFQ-UHFFFAOYSA-N 2 1 306.498 3.168 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246187266 1095085651 /nfs/dbraw/zinc/08/56/51/1095085651.db2.gz FNQZQARYBQFFOH-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP COc1cccc2cc(C[NH2+]CCC[NH+]3CCCCC3)oc21 ZINC000315892565 1095144756 /nfs/dbraw/zinc/14/47/56/1095144756.db2.gz PVAFMVRKLIWQTH-UHFFFAOYSA-N 2 1 302.418 3.407 20 0 DGADMP CCc1noc(C2CCC([NH2+][C@H]3CCCC[C@H]3[NH+](C)C)CC2)n1 ZINC001337980091 1095155383 /nfs/dbraw/zinc/15/53/83/1095155383.db2.gz DMOJZGPQFMHEHQ-SSHXOBKSSA-N 2 1 320.481 3.121 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000316327728 1095168645 /nfs/dbraw/zinc/16/86/45/1095168645.db2.gz CHXNFBYYHQQQQB-UHFFFAOYSA-N 2 1 301.478 3.397 20 0 DGADMP [NH3+]CCCCCCCC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917007 1095171310 /nfs/dbraw/zinc/17/13/10/1095171310.db2.gz IYLIZKVTICESAI-SFHVURJKSA-N 2 1 323.525 3.057 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171042628 1095178504 /nfs/dbraw/zinc/17/85/04/1095178504.db2.gz ATDDWFVQEDOVKC-MRXNPFEDSA-N 2 1 306.881 3.471 20 0 DGADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056012 1095213502 /nfs/dbraw/zinc/21/35/02/1095213502.db2.gz JOSHNGFMCYXRPU-IIDMSEBBSA-N 2 1 304.865 3.223 20 0 DGADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171064943 1095242613 /nfs/dbraw/zinc/24/26/13/1095242613.db2.gz UVRNKWNBIUBVKG-FZMZJTMJSA-N 2 1 313.272 3.392 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)CC1 ZINC001136940788 1095246296 /nfs/dbraw/zinc/24/62/96/1095246296.db2.gz PLEDZPOGDDBXAW-UHFFFAOYSA-N 2 1 324.415 3.248 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC001137027397 1095295022 /nfs/dbraw/zinc/29/50/22/1095295022.db2.gz YINSUQQXILMGTP-UHFFFAOYSA-N 2 1 302.462 3.269 20 0 DGADMP Cc1c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cccc1C(F)(F)F ZINC001143924735 1095440064 /nfs/dbraw/zinc/44/00/64/1095440064.db2.gz ZVIAGHQVAPUBDC-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP Cc1c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cccc1C(F)(F)F ZINC001143924735 1095440070 /nfs/dbraw/zinc/44/00/70/1095440070.db2.gz ZVIAGHQVAPUBDC-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222142057 1095452919 /nfs/dbraw/zinc/45/29/19/1095452919.db2.gz VUZBLYYVYAXDLF-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001222140950 1095454114 /nfs/dbraw/zinc/45/41/14/1095454114.db2.gz ALHRGFWOPYOZTH-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001222140950 1095454120 /nfs/dbraw/zinc/45/41/20/1095454120.db2.gz ALHRGFWOPYOZTH-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532114 1095454756 /nfs/dbraw/zinc/45/47/56/1095454756.db2.gz UASGOEZEGNPSDS-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C(C)C ZINC001222148752 1095457323 /nfs/dbraw/zinc/45/73/23/1095457323.db2.gz SJJTXXGRRFDDNX-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C(C)C ZINC001222148752 1095457329 /nfs/dbraw/zinc/45/73/29/1095457329.db2.gz SJJTXXGRRFDDNX-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222149514 1095459169 /nfs/dbraw/zinc/45/91/69/1095459169.db2.gz ZWFOOVPJZFZYEH-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP CCc1nc(C)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222160553 1095467563 /nfs/dbraw/zinc/46/75/63/1095467563.db2.gz FYFSJZMJBXBXOW-SFHVURJKSA-N 2 1 304.482 3.026 20 0 DGADMP CCc1nc(C)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222160553 1095467569 /nfs/dbraw/zinc/46/75/69/1095467569.db2.gz FYFSJZMJBXBXOW-SFHVURJKSA-N 2 1 304.482 3.026 20 0 DGADMP c1cc(CCC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222162106 1095469657 /nfs/dbraw/zinc/46/96/57/1095469657.db2.gz YGQDPEQVCUJETQ-IBGZPJMESA-N 2 1 301.478 3.260 20 0 DGADMP c1cc2c(nccc2C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222167839 1095473012 /nfs/dbraw/zinc/47/30/12/1095473012.db2.gz STOVELSSTYACJS-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167884 1095473247 /nfs/dbraw/zinc/47/32/47/1095473247.db2.gz UMFOZGHOQYARNZ-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001222187091 1095482417 /nfs/dbraw/zinc/48/24/17/1095482417.db2.gz WMUSQBBCRUFNFO-UHFFFAOYSA-N 2 1 316.489 3.329 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC001116293148 1095509058 /nfs/dbraw/zinc/50/90/58/1095509058.db2.gz KNBNUCJHOWYCDM-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171139573 1095514548 /nfs/dbraw/zinc/51/45/48/1095514548.db2.gz OPKWXRINQBYART-RISCZKNCSA-N 2 1 313.272 3.392 20 0 DGADMP Cc1c(O)cccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001144118639 1095516036 /nfs/dbraw/zinc/51/60/36/1095516036.db2.gz FBWZPBDOQBFQJQ-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1c(O)cccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144118639 1095516065 /nfs/dbraw/zinc/51/60/65/1095516065.db2.gz FBWZPBDOQBFQJQ-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1c(O)cccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144118639 1095516073 /nfs/dbraw/zinc/51/60/73/1095516073.db2.gz FBWZPBDOQBFQJQ-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC001116346726 1095520925 /nfs/dbraw/zinc/52/09/25/1095520925.db2.gz YNAIHOIGOYQNIU-QGZVFWFLSA-N 2 1 311.429 3.345 20 0 DGADMP FC(F)COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265811 1095520947 /nfs/dbraw/zinc/52/09/47/1095520947.db2.gz ZNXBPAHSGAGOOF-GOSISDBHSA-N 2 1 324.415 3.296 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265811 1095520959 /nfs/dbraw/zinc/52/09/59/1095520959.db2.gz ZNXBPAHSGAGOOF-GOSISDBHSA-N 2 1 324.415 3.296 20 0 DGADMP Fc1ccc2nc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001222272548 1095523545 /nfs/dbraw/zinc/52/35/45/1095523545.db2.gz WLLXAVRHBBJOSN-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001222272548 1095523559 /nfs/dbraw/zinc/52/35/59/1095523559.db2.gz WLLXAVRHBBJOSN-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP c1cc2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)nc2[nH]1 ZINC001144177741 1095542953 /nfs/dbraw/zinc/54/29/53/1095542953.db2.gz ZOOJWANPQVKALM-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP c1cc2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)nc2[nH]1 ZINC001144177741 1095542962 /nfs/dbraw/zinc/54/29/62/1095542962.db2.gz ZOOJWANPQVKALM-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116430670 1095548475 /nfs/dbraw/zinc/54/84/75/1095548475.db2.gz FUUHNMLGPUBPBI-JKSUJKDBSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116430670 1095548482 /nfs/dbraw/zinc/54/84/82/1095548482.db2.gz FUUHNMLGPUBPBI-JKSUJKDBSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116430670 1095548490 /nfs/dbraw/zinc/54/84/90/1095548490.db2.gz FUUHNMLGPUBPBI-JKSUJKDBSA-N 2 1 312.461 3.227 20 0 DGADMP CCCC[NH+]1CCC(N(C)Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144205955 1095564306 /nfs/dbraw/zinc/56/43/06/1095564306.db2.gz SAEYFPDMILIXFB-UHFFFAOYSA-N 2 1 318.440 3.398 20 0 DGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222457469 1095622856 /nfs/dbraw/zinc/62/28/56/1095622856.db2.gz LEYCRBSEBNMGQD-UHFFFAOYSA-N 2 1 323.868 3.099 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC1CC[NH+](C)CC1 ZINC001222504197 1095642739 /nfs/dbraw/zinc/64/27/39/1095642739.db2.gz PWFSZELULYJUHQ-APWZRJJASA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001116880590 1095689316 /nfs/dbraw/zinc/68/93/16/1095689316.db2.gz LZXXTKJAMSBEDY-ZWKOTPCHSA-N 2 1 302.462 3.017 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1Br ZINC001137614688 1095690385 /nfs/dbraw/zinc/69/03/85/1095690385.db2.gz YNCFHTVMINBYOV-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1Br ZINC001137614688 1095690391 /nfs/dbraw/zinc/69/03/91/1095690391.db2.gz YNCFHTVMINBYOV-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1Br ZINC001137614688 1095690398 /nfs/dbraw/zinc/69/03/98/1095690398.db2.gz YNCFHTVMINBYOV-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1Br ZINC001137614688 1095690401 /nfs/dbraw/zinc/69/04/01/1095690401.db2.gz YNCFHTVMINBYOV-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP c1cc2cccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2[nH]1 ZINC001222609136 1095692029 /nfs/dbraw/zinc/69/20/29/1095692029.db2.gz LJFOIKDHTKOJHS-LJQANCHMSA-N 2 1 317.436 3.357 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629470 1095701374 /nfs/dbraw/zinc/70/13/74/1095701374.db2.gz IMJDVJHKAHMFRR-OKILXGFUSA-N 2 1 312.379 3.445 20 0 DGADMP CC1CCC([NH+]2CCN(Cc3[nH+]cn4ccccc34)CC2)CC1 ZINC001144623482 1095739498 /nfs/dbraw/zinc/73/94/98/1095739498.db2.gz XGIDGPJRNKUGJB-UHFFFAOYSA-N 2 1 312.461 3.031 20 0 DGADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(Br)c1 ZINC001137804472 1095747616 /nfs/dbraw/zinc/74/76/16/1095747616.db2.gz QORRGQNIXQSGDE-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(Br)c1 ZINC001137804472 1095747628 /nfs/dbraw/zinc/74/76/28/1095747628.db2.gz QORRGQNIXQSGDE-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(Br)c1 ZINC001137804472 1095747644 /nfs/dbraw/zinc/74/76/44/1095747644.db2.gz QORRGQNIXQSGDE-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Br)c1 ZINC001137804472 1095747655 /nfs/dbraw/zinc/74/76/55/1095747655.db2.gz QORRGQNIXQSGDE-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Br)c1 ZINC001137804472 1095747659 /nfs/dbraw/zinc/74/76/59/1095747659.db2.gz QORRGQNIXQSGDE-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001117762518 1095839935 /nfs/dbraw/zinc/83/99/35/1095839935.db2.gz SVPAONCXMVKOKO-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001117762518 1095839949 /nfs/dbraw/zinc/83/99/49/1095839949.db2.gz SVPAONCXMVKOKO-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001117762518 1095839968 /nfs/dbraw/zinc/83/99/68/1095839968.db2.gz SVPAONCXMVKOKO-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@H]2CC1 ZINC001276869779 1095893173 /nfs/dbraw/zinc/89/31/73/1095893173.db2.gz IIBLSGBXHBZNAV-KDURUIRLSA-N 2 1 310.441 3.319 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4cc(O)ccc4c3)C[C@H]2CC1 ZINC001276869779 1095893195 /nfs/dbraw/zinc/89/31/95/1095893195.db2.gz IIBLSGBXHBZNAV-KDURUIRLSA-N 2 1 310.441 3.319 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4cc(O)ccc4c3)C[C@H]2CC1 ZINC001276869779 1095893211 /nfs/dbraw/zinc/89/32/11/1095893211.db2.gz IIBLSGBXHBZNAV-KDURUIRLSA-N 2 1 310.441 3.319 20 0 DGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171246971 1095914767 /nfs/dbraw/zinc/91/47/67/1095914767.db2.gz IWPVBLXQWLQTLS-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515676 1095968210 /nfs/dbraw/zinc/96/82/10/1095968210.db2.gz OSCYAYVUINZVNK-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515676 1095968217 /nfs/dbraw/zinc/96/82/17/1095968217.db2.gz OSCYAYVUINZVNK-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001118411143 1096001132 /nfs/dbraw/zinc/00/11/32/1096001132.db2.gz RIIYHGMDDBTHOE-OAHLLOKOSA-N 2 1 302.466 3.443 20 0 DGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001118495018 1096023217 /nfs/dbraw/zinc/02/32/17/1096023217.db2.gz ORMUXCCUNXOHIS-HZPDHXFCSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495018 1096023229 /nfs/dbraw/zinc/02/32/29/1096023229.db2.gz ORMUXCCUNXOHIS-HZPDHXFCSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495018 1096023241 /nfs/dbraw/zinc/02/32/41/1096023241.db2.gz ORMUXCCUNXOHIS-HZPDHXFCSA-N 2 1 312.461 3.050 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC001118798561 1096079220 /nfs/dbraw/zinc/07/92/20/1096079220.db2.gz DUQMCGGARCLSHD-KRWDZBQOSA-N 2 1 319.468 3.257 20 0 DGADMP c1ccc([C@H]2CC[C@@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)O2)cc1 ZINC001119290362 1096154480 /nfs/dbraw/zinc/15/44/80/1096154480.db2.gz SRTMZJUIPFEUFS-RBUKOAKNSA-N 2 1 314.473 3.372 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC001341373275 1096164527 /nfs/dbraw/zinc/16/45/27/1096164527.db2.gz CQXNGTLJMHWBMV-GVDBMIGSSA-N 2 1 308.416 3.451 20 0 DGADMP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)c21 ZINC001119352031 1096176530 /nfs/dbraw/zinc/17/65/30/1096176530.db2.gz GZBLZFSLNBGARJ-OAHLLOKOSA-N 2 1 315.461 3.181 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC1CC[NH+](C)CC1 ZINC001224451868 1096216472 /nfs/dbraw/zinc/21/64/72/1096216472.db2.gz BRCYOJZXEBVULC-PXNSSMCTSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC001119629871 1096236966 /nfs/dbraw/zinc/23/69/66/1096236966.db2.gz BIMBUJUAYAGUPX-LMSBXDPUSA-N 2 1 316.493 3.208 20 0 DGADMP Cc1cccc(N2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)[nH+]1 ZINC001276981000 1096239113 /nfs/dbraw/zinc/23/91/13/1096239113.db2.gz NHEPJZKRFFHDGD-LJQANCHMSA-N 2 1 310.445 3.211 20 0 DGADMP Cc1cccc(N2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)[nH+]1 ZINC001276981000 1096239117 /nfs/dbraw/zinc/23/91/17/1096239117.db2.gz NHEPJZKRFFHDGD-LJQANCHMSA-N 2 1 310.445 3.211 20 0 DGADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)[nH+]1 ZINC001276981311 1096239593 /nfs/dbraw/zinc/23/95/93/1096239593.db2.gz XSGPCYPSAGRJLB-IBGZPJMESA-N 2 1 315.461 3.004 20 0 DGADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)[nH+]1 ZINC001276981311 1096239600 /nfs/dbraw/zinc/23/96/00/1096239600.db2.gz XSGPCYPSAGRJLB-IBGZPJMESA-N 2 1 315.461 3.004 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@H]1CCCC[NH+]1C ZINC001224705988 1096267967 /nfs/dbraw/zinc/26/79/67/1096267967.db2.gz IJNBZWQLZNUGCQ-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1OC[C@H]1CCCC[N@@H+]1C ZINC001224705988 1096267972 /nfs/dbraw/zinc/26/79/72/1096267972.db2.gz IJNBZWQLZNUGCQ-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224705988 1096267978 /nfs/dbraw/zinc/26/79/78/1096267978.db2.gz IJNBZWQLZNUGCQ-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224705974 1096268118 /nfs/dbraw/zinc/26/81/18/1096268118.db2.gz IBZMLDHFUYJZQU-KZNAEPCWSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224705974 1096268121 /nfs/dbraw/zinc/26/81/21/1096268121.db2.gz IBZMLDHFUYJZQU-KZNAEPCWSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224705974 1096268125 /nfs/dbraw/zinc/26/81/25/1096268125.db2.gz IBZMLDHFUYJZQU-KZNAEPCWSA-N 2 1 317.477 3.108 20 0 DGADMP C[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001224830461 1096296318 /nfs/dbraw/zinc/29/63/18/1096296318.db2.gz OELPHBZHYNGRFT-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224830461 1096296325 /nfs/dbraw/zinc/29/63/25/1096296325.db2.gz OELPHBZHYNGRFT-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224830461 1096296331 /nfs/dbraw/zinc/29/63/31/1096296331.db2.gz OELPHBZHYNGRFT-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C)Cc1ccccc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001277006520 1096314433 /nfs/dbraw/zinc/31/44/33/1096314433.db2.gz AONNMHMMUMPJKZ-KDURUIRLSA-N 2 1 313.489 3.344 20 0 DGADMP CCOC(=[NH2+])CCCCOC1CCN(c2cc[nH+]cc2)CC1 ZINC001224965199 1096325753 /nfs/dbraw/zinc/32/57/53/1096325753.db2.gz GVNOHGXEMHLFSH-UHFFFAOYSA-N 2 1 305.422 3.251 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171340531 1096465959 /nfs/dbraw/zinc/46/59/59/1096465959.db2.gz KDBIZOOMIOHHHI-LVQVYYBASA-N 2 1 306.400 3.037 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379340 1096610045 /nfs/dbraw/zinc/61/00/45/1096610045.db2.gz DAQRXJJJCQUGNC-INIZCTEOSA-N 2 1 308.416 3.240 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171381119 1096618487 /nfs/dbraw/zinc/61/84/87/1096618487.db2.gz BMOIUWJUICBZKY-UXLLHSPISA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171381119 1096618489 /nfs/dbraw/zinc/61/84/89/1096618489.db2.gz BMOIUWJUICBZKY-UXLLHSPISA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171381119 1096618491 /nfs/dbraw/zinc/61/84/91/1096618491.db2.gz BMOIUWJUICBZKY-UXLLHSPISA-N 2 1 320.427 3.096 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434036 1096775494 /nfs/dbraw/zinc/77/54/94/1096775494.db2.gz PZFAJPFZYYWGNI-KRWDZBQOSA-N 2 1 304.453 3.489 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171459982 1096891036 /nfs/dbraw/zinc/89/10/36/1096891036.db2.gz SULWNDQVKGWXFG-OAHLLOKOSA-N 2 1 306.400 3.039 20 0 DGADMP CCOc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)c(Cl)cn1 ZINC001277197464 1096913929 /nfs/dbraw/zinc/91/39/29/1096913929.db2.gz MNUJPKIKBLBDGD-SJORKVTESA-N 2 1 323.868 3.288 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171508409 1096914693 /nfs/dbraw/zinc/91/46/93/1096914693.db2.gz OKBKZTYQWGHLBV-LBPRGKRZSA-N 2 1 300.368 3.020 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2c3ccccc3CC[C@@H]2O)CC1(C)C ZINC001171623352 1096936860 /nfs/dbraw/zinc/93/68/60/1096936860.db2.gz VJLNCKGHJUJATO-ROUUACIJSA-N 2 1 316.489 3.276 20 0 DGADMP Cc1noc2ccc(C[NH+]3CCC[C@@]4(CCC[N@@H+](C)C4)C3)cc12 ZINC001277216895 1096945117 /nfs/dbraw/zinc/94/51/17/1096945117.db2.gz JGMSHTRJNRCALL-LJQANCHMSA-N 2 1 313.445 3.444 20 0 DGADMP Cc1noc2ccc(C[NH+]3CCC[C@@]4(CCC[N@H+](C)C4)C3)cc12 ZINC001277216895 1096945120 /nfs/dbraw/zinc/94/51/20/1096945120.db2.gz JGMSHTRJNRCALL-LJQANCHMSA-N 2 1 313.445 3.444 20 0 DGADMP Cc1noc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)cc12 ZINC001277216895 1096945123 /nfs/dbraw/zinc/94/51/23/1096945123.db2.gz JGMSHTRJNRCALL-LJQANCHMSA-N 2 1 313.445 3.444 20 0 DGADMP Cc1noc2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)cc12 ZINC001277216895 1096945125 /nfs/dbraw/zinc/94/51/25/1096945125.db2.gz JGMSHTRJNRCALL-LJQANCHMSA-N 2 1 313.445 3.444 20 0 DGADMP Cc1nnc([C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)o1 ZINC001171643526 1096950098 /nfs/dbraw/zinc/95/00/98/1096950098.db2.gz WTLKUBQFONDRNU-AWEZNQCLSA-N 2 1 320.481 3.209 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1(C)C ZINC001171643935 1096950313 /nfs/dbraw/zinc/95/03/13/1096950313.db2.gz YMSBJMUMSJYWIT-QGZVFWFLSA-N 2 1 317.477 3.186 20 0 DGADMP C[C@H]1C[C@H](n2ccc3cc(C[NH3+])cnc32)C[N@H+]1Cc1ccccc1 ZINC001171725434 1096954652 /nfs/dbraw/zinc/95/46/52/1096954652.db2.gz LVGPLMGVQZTJRB-KXBFYZLASA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001171727710 1096955696 /nfs/dbraw/zinc/95/56/96/1096955696.db2.gz GBWLGMJNUZLBJT-LMCOJAPRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171727710 1096955702 /nfs/dbraw/zinc/95/57/02/1096955702.db2.gz GBWLGMJNUZLBJT-LMCOJAPRSA-N 2 1 315.505 3.112 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171726402 1096956083 /nfs/dbraw/zinc/95/60/83/1096956083.db2.gz FQEHKCVDDPBGCN-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](CC)CCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171726402 1096956088 /nfs/dbraw/zinc/95/60/88/1096956088.db2.gz FQEHKCVDDPBGCN-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@@H](n2cc3cc(C[NH3+])ccc3n2)C[N@H+]1Cc1ccccc1 ZINC001171726584 1096956121 /nfs/dbraw/zinc/95/61/21/1096956121.db2.gz YJGKDIPLXJOGKX-HNAYVOBHSA-N 2 1 320.440 3.331 20 0 DGADMP CC[NH+](CC)[C@@H]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171759665 1096963710 /nfs/dbraw/zinc/96/37/10/1096963710.db2.gz LNZPAXIGQDSFIV-RLLQIKCJSA-N 2 1 315.505 3.066 20 0 DGADMP CCCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760839 1096964863 /nfs/dbraw/zinc/96/48/63/1096964863.db2.gz AVVLJWMTNOFORQ-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171762744 1096965064 /nfs/dbraw/zinc/96/50/64/1096965064.db2.gz MFSNFLKERRPITI-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CCCC[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760837 1096965279 /nfs/dbraw/zinc/96/52/79/1096965279.db2.gz AVVLJWMTNOFORQ-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CC[N@H+]1CCN([C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766468 1096967494 /nfs/dbraw/zinc/96/74/94/1096967494.db2.gz DTYQSDLVOXUHCW-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766468 1096967501 /nfs/dbraw/zinc/96/75/01/1096967501.db2.gz DTYQSDLVOXUHCW-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766468 1096967505 /nfs/dbraw/zinc/96/75/05/1096967505.db2.gz DTYQSDLVOXUHCW-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171772189 1096968309 /nfs/dbraw/zinc/96/83/09/1096968309.db2.gz AHVKBWGGWNGUGW-MJGOQNOKSA-N 2 1 324.443 3.405 20 0 DGADMP C[C@H]1C[C@H](n2cnc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171734468 1096970663 /nfs/dbraw/zinc/97/06/63/1096970663.db2.gz OCAUECXRAUNCJI-YJBOKZPZSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@H]1C[C@@H](Nc2cccc(CC[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171733999 1096970744 /nfs/dbraw/zinc/97/07/44/1096970744.db2.gz LBXXHTYCFGYEOZ-OXJNMPFZSA-N 2 1 309.457 3.263 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171812373 1096985120 /nfs/dbraw/zinc/98/51/20/1096985120.db2.gz OZVMCBATGNYPCW-QGZVFWFLSA-N 2 1 304.453 3.489 20 0 DGADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964078 1097005879 /nfs/dbraw/zinc/00/58/79/1097005879.db2.gz KHBPSHYVXKBXAI-KBAYOESNSA-N 2 1 302.462 3.197 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171964130 1097006194 /nfs/dbraw/zinc/00/61/94/1097006194.db2.gz KOMIFPLFSUTHHJ-ZWKOTPCHSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171967140 1097008202 /nfs/dbraw/zinc/00/82/02/1097008202.db2.gz XTPUWYRJNLLSQK-FHWLQOOXSA-N 2 1 316.489 3.323 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171971505 1097021264 /nfs/dbraw/zinc/02/12/64/1097021264.db2.gz IRFAOTUDEMWOEN-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975138 1097023591 /nfs/dbraw/zinc/02/35/91/1097023591.db2.gz LEBOEXSFDDGIBI-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975788 1097023660 /nfs/dbraw/zinc/02/36/60/1097023660.db2.gz FYOQBWIAUTYQLQ-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975788 1097023667 /nfs/dbraw/zinc/02/36/67/1097023667.db2.gz FYOQBWIAUTYQLQ-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975788 1097023671 /nfs/dbraw/zinc/02/36/71/1097023671.db2.gz FYOQBWIAUTYQLQ-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976926 1097024582 /nfs/dbraw/zinc/02/45/82/1097024582.db2.gz OOQAEHLPVLJIEK-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976926 1097024589 /nfs/dbraw/zinc/02/45/89/1097024589.db2.gz OOQAEHLPVLJIEK-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976926 1097024596 /nfs/dbraw/zinc/02/45/96/1097024596.db2.gz OOQAEHLPVLJIEK-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976926 1097024602 /nfs/dbraw/zinc/02/46/02/1097024602.db2.gz OOQAEHLPVLJIEK-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP COCC1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976490 1097024904 /nfs/dbraw/zinc/02/49/04/1097024904.db2.gz LPBSMRHZHVFBST-SFHVURJKSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977395 1097025335 /nfs/dbraw/zinc/02/53/35/1097025335.db2.gz RFPYHZKRYGDHNI-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977395 1097025340 /nfs/dbraw/zinc/02/53/40/1097025340.db2.gz RFPYHZKRYGDHNI-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977395 1097025345 /nfs/dbraw/zinc/02/53/45/1097025345.db2.gz RFPYHZKRYGDHNI-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977395 1097025350 /nfs/dbraw/zinc/02/53/50/1097025350.db2.gz RFPYHZKRYGDHNI-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@]1(CO)CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977440 1097025438 /nfs/dbraw/zinc/02/54/38/1097025438.db2.gz RISWKYRSXIFGBF-ICSRJNTNSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(CO)CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977440 1097025443 /nfs/dbraw/zinc/02/54/43/1097025443.db2.gz RISWKYRSXIFGBF-ICSRJNTNSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(CO)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977440 1097025449 /nfs/dbraw/zinc/02/54/49/1097025449.db2.gz RISWKYRSXIFGBF-ICSRJNTNSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(CO)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977440 1097025452 /nfs/dbraw/zinc/02/54/52/1097025452.db2.gz RISWKYRSXIFGBF-ICSRJNTNSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976993 1097025923 /nfs/dbraw/zinc/02/59/23/1097025923.db2.gz PLHHGSCPCSMTIW-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976993 1097025928 /nfs/dbraw/zinc/02/59/28/1097025928.db2.gz PLHHGSCPCSMTIW-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976993 1097025933 /nfs/dbraw/zinc/02/59/33/1097025933.db2.gz PLHHGSCPCSMTIW-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976993 1097025938 /nfs/dbraw/zinc/02/59/38/1097025938.db2.gz PLHHGSCPCSMTIW-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976946 1097026528 /nfs/dbraw/zinc/02/65/28/1097026528.db2.gz VZVAZLAEVDXQNI-MSOLQXFVSA-N 2 1 304.478 3.444 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC001171980047 1097027227 /nfs/dbraw/zinc/02/72/27/1097027227.db2.gz RZHWAJVYTYUGGF-OTWHNJEPSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C)C[C@H](n2ncc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001171980270 1097027514 /nfs/dbraw/zinc/02/75/14/1097027514.db2.gz HJUUHXYXNSIXAH-GOSISDBHSA-N 2 1 324.472 3.145 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988467 1097029498 /nfs/dbraw/zinc/02/94/98/1097029498.db2.gz RUARJGXPHFOGDV-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988467 1097029504 /nfs/dbraw/zinc/02/95/04/1097029504.db2.gz RUARJGXPHFOGDV-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988467 1097029509 /nfs/dbraw/zinc/02/95/09/1097029509.db2.gz RUARJGXPHFOGDV-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988467 1097029515 /nfs/dbraw/zinc/02/95/15/1097029515.db2.gz RUARJGXPHFOGDV-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988467 1097029522 /nfs/dbraw/zinc/02/95/22/1097029522.db2.gz RUARJGXPHFOGDV-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@]1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172071128 1097036230 /nfs/dbraw/zinc/03/62/30/1097036230.db2.gz UYIMCNSCLCEDOD-YSTOQKLRSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCC2COC2)C3)cc1 ZINC001172072416 1097037701 /nfs/dbraw/zinc/03/77/01/1097037701.db2.gz MKOFRRWFVUOQJZ-ACDBMABISA-N 2 1 314.473 3.198 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074212 1097037958 /nfs/dbraw/zinc/03/79/58/1097037958.db2.gz GHWYQSNITJHSFS-WPVAHCMFSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074212 1097037963 /nfs/dbraw/zinc/03/79/63/1097037963.db2.gz GHWYQSNITJHSFS-WPVAHCMFSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074212 1097037967 /nfs/dbraw/zinc/03/79/67/1097037967.db2.gz GHWYQSNITJHSFS-WPVAHCMFSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074212 1097037971 /nfs/dbraw/zinc/03/79/71/1097037971.db2.gz GHWYQSNITJHSFS-WPVAHCMFSA-N 2 1 312.457 3.045 20 0 DGADMP C[C@@H](CO)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076408 1097037983 /nfs/dbraw/zinc/03/79/83/1097037983.db2.gz ISLXDCMSWPVGTI-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206155956 1097040810 /nfs/dbraw/zinc/04/08/10/1097040810.db2.gz NHMWMASGEDXLNB-ZIAGYGMSSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206155956 1097040815 /nfs/dbraw/zinc/04/08/15/1097040815.db2.gz NHMWMASGEDXLNB-ZIAGYGMSSA-N 2 1 304.331 3.009 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccc(F)cc31)C2 ZINC001172100774 1097042983 /nfs/dbraw/zinc/04/29/83/1097042983.db2.gz SUZZZRLFPKKQCE-JYYAWHABSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccc(F)cc31)C2 ZINC001172100774 1097042987 /nfs/dbraw/zinc/04/29/87/1097042987.db2.gz SUZZZRLFPKKQCE-JYYAWHABSA-N 2 1 304.409 3.254 20 0 DGADMP C[C@@H]1C[C@H](O)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067447 1097043474 /nfs/dbraw/zinc/04/34/74/1097043474.db2.gz CNGAHAZLEHUXBC-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067447 1097043478 /nfs/dbraw/zinc/04/34/78/1097043478.db2.gz CNGAHAZLEHUXBC-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067447 1097043483 /nfs/dbraw/zinc/04/34/83/1097043483.db2.gz CNGAHAZLEHUXBC-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067447 1097043488 /nfs/dbraw/zinc/04/34/88/1097043488.db2.gz CNGAHAZLEHUXBC-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP [NH3+]Cc1cnn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066537 1097044002 /nfs/dbraw/zinc/04/40/02/1097044002.db2.gz ZGPBQIUIOOWGHU-REPLKXPHSA-N 2 1 310.445 3.100 20 0 DGADMP Cn1cncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067379 1097044693 /nfs/dbraw/zinc/04/46/93/1097044693.db2.gz NAIPMIHAHRXTDB-LDLYASANSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1cncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067379 1097044699 /nfs/dbraw/zinc/04/46/99/1097044699.db2.gz NAIPMIHAHRXTDB-LDLYASANSA-N 2 1 324.472 3.095 20 0 DGADMP C[C@@H]1C[C@@H](O)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067450 1097044939 /nfs/dbraw/zinc/04/49/39/1097044939.db2.gz CNGAHAZLEHUXBC-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067450 1097044941 /nfs/dbraw/zinc/04/49/41/1097044941.db2.gz CNGAHAZLEHUXBC-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067450 1097044945 /nfs/dbraw/zinc/04/49/45/1097044945.db2.gz CNGAHAZLEHUXBC-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067450 1097044950 /nfs/dbraw/zinc/04/49/50/1097044950.db2.gz CNGAHAZLEHUXBC-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069515 1097045341 /nfs/dbraw/zinc/04/53/41/1097045341.db2.gz QSLKOYCAAXKPMD-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069515 1097045345 /nfs/dbraw/zinc/04/53/45/1097045345.db2.gz QSLKOYCAAXKPMD-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069515 1097045351 /nfs/dbraw/zinc/04/53/51/1097045351.db2.gz QSLKOYCAAXKPMD-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069515 1097045357 /nfs/dbraw/zinc/04/53/57/1097045357.db2.gz QSLKOYCAAXKPMD-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126665 1097047796 /nfs/dbraw/zinc/04/77/96/1097047796.db2.gz XWZFDIMKHOFSSD-LTIDMASMSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126666 1097047930 /nfs/dbraw/zinc/04/79/30/1097047930.db2.gz XWZFDIMKHOFSSD-YVSFHVDLSA-N 2 1 322.493 3.198 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)CCC(=O)c1cccs1)C2 ZINC001172127738 1097048183 /nfs/dbraw/zinc/04/81/83/1097048183.db2.gz JVPWHGUYFMUUAE-FICVDOATSA-N 2 1 306.475 3.268 20 0 DGADMP CN(CCC(=O)c1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127738 1097048189 /nfs/dbraw/zinc/04/81/89/1097048189.db2.gz JVPWHGUYFMUUAE-FICVDOATSA-N 2 1 306.475 3.268 20 0 DGADMP CN(CCC(=O)c1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127738 1097048194 /nfs/dbraw/zinc/04/81/94/1097048194.db2.gz JVPWHGUYFMUUAE-FICVDOATSA-N 2 1 306.475 3.268 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127690 1097048443 /nfs/dbraw/zinc/04/84/43/1097048443.db2.gz KUBRQLKBELDUDK-TWMKSMIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127690 1097048446 /nfs/dbraw/zinc/04/84/46/1097048446.db2.gz KUBRQLKBELDUDK-TWMKSMIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127690 1097048450 /nfs/dbraw/zinc/04/84/50/1097048450.db2.gz KUBRQLKBELDUDK-TWMKSMIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127690 1097048454 /nfs/dbraw/zinc/04/84/54/1097048454.db2.gz KUBRQLKBELDUDK-TWMKSMIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127690 1097048458 /nfs/dbraw/zinc/04/84/58/1097048458.db2.gz KUBRQLKBELDUDK-TWMKSMIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1C[NH2+]Cc1ccccc1)C2 ZINC001172130009 1097048948 /nfs/dbraw/zinc/04/89/48/1097048948.db2.gz MYGXJFMVBHCOFG-REPLKXPHSA-N 2 1 324.472 3.361 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3cccc(F)c3)C1)C2 ZINC001172132851 1097050321 /nfs/dbraw/zinc/05/03/21/1097050321.db2.gz OYVXCQHRGLFDFQ-SFNKJDCFSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)C2 ZINC001172132851 1097050328 /nfs/dbraw/zinc/05/03/28/1097050328.db2.gz OYVXCQHRGLFDFQ-SFNKJDCFSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3cccc(F)c3)C1)C2 ZINC001172132851 1097050334 /nfs/dbraw/zinc/05/03/34/1097050334.db2.gz OYVXCQHRGLFDFQ-SFNKJDCFSA-N 2 1 318.436 3.294 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CCOCC1)C2 ZINC001172102002 1097052939 /nfs/dbraw/zinc/05/29/39/1097052939.db2.gz IZUVAGFPVOKWMN-LDLYASANSA-N 2 1 314.473 3.297 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CCOCC1)C2 ZINC001172102002 1097052944 /nfs/dbraw/zinc/05/29/44/1097052944.db2.gz IZUVAGFPVOKWMN-LDLYASANSA-N 2 1 314.473 3.297 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105538 1097053844 /nfs/dbraw/zinc/05/38/44/1097053844.db2.gz IYBKMBQAALNHPK-ZXFNITATSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105538 1097053850 /nfs/dbraw/zinc/05/38/50/1097053850.db2.gz IYBKMBQAALNHPK-ZXFNITATSA-N 2 1 300.446 3.287 20 0 DGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172108740 1097053986 /nfs/dbraw/zinc/05/39/86/1097053986.db2.gz DOPYVCZLQAAIOQ-YCEIQTCASA-N 2 1 307.526 3.230 20 0 DGADMP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172108740 1097053993 /nfs/dbraw/zinc/05/39/93/1097053993.db2.gz DOPYVCZLQAAIOQ-YCEIQTCASA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172108740 1097054000 /nfs/dbraw/zinc/05/40/00/1097054000.db2.gz DOPYVCZLQAAIOQ-YCEIQTCASA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108740 1097054007 /nfs/dbraw/zinc/05/40/07/1097054007.db2.gz DOPYVCZLQAAIOQ-YCEIQTCASA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108740 1097054013 /nfs/dbraw/zinc/05/40/13/1097054013.db2.gz DOPYVCZLQAAIOQ-YCEIQTCASA-N 3 1 307.526 3.230 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001172107533 1097054033 /nfs/dbraw/zinc/05/40/33/1097054033.db2.gz ZFIPXAPWUBKKRD-CLLJXQQHSA-N 2 1 314.260 3.493 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001172107533 1097054039 /nfs/dbraw/zinc/05/40/39/1097054039.db2.gz ZFIPXAPWUBKKRD-CLLJXQQHSA-N 2 1 314.260 3.493 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)C2 ZINC001172105754 1097054627 /nfs/dbraw/zinc/05/46/27/1097054627.db2.gz KEHBGTWLVXEOAW-ACDBMABISA-N 2 1 324.472 3.036 20 0 DGADMP COc1ccc2c(C[NH3+])cn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001172110366 1097056268 /nfs/dbraw/zinc/05/62/68/1097056268.db2.gz MYNGGBXJMOKQFI-MUJYYYPQSA-N 2 1 313.445 3.296 20 0 DGADMP COc1cc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)ccn1 ZINC001172110828 1097056583 /nfs/dbraw/zinc/05/65/83/1097056583.db2.gz PTLZSIAQJCJVAB-SFNKJDCFSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)ccn1 ZINC001172110828 1097056588 /nfs/dbraw/zinc/05/65/88/1097056588.db2.gz PTLZSIAQJCJVAB-SFNKJDCFSA-N 2 1 315.461 3.146 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157206 1097057416 /nfs/dbraw/zinc/05/74/16/1097057416.db2.gz XMEQYXQMDLXWSW-GJZGRUSLSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157206 1097057422 /nfs/dbraw/zinc/05/74/22/1097057422.db2.gz XMEQYXQMDLXWSW-GJZGRUSLSA-N 2 1 318.358 3.399 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ncccc1F)C1CC1)C2 ZINC001172110853 1097057502 /nfs/dbraw/zinc/05/75/02/1097057502.db2.gz QBCVOBBLPFHGAM-MPTYRVRUSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ncccc1F)C1CC1)C2 ZINC001172110853 1097057507 /nfs/dbraw/zinc/05/75/07/1097057507.db2.gz QBCVOBBLPFHGAM-MPTYRVRUSA-N 2 1 303.425 3.277 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113040 1097058526 /nfs/dbraw/zinc/05/85/26/1097058526.db2.gz FIPNCYUTPIBZRF-VJDPLVQDSA-N 3 1 321.553 3.492 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172113040 1097058532 /nfs/dbraw/zinc/05/85/32/1097058532.db2.gz FIPNCYUTPIBZRF-VJDPLVQDSA-N 2 1 321.553 3.492 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1ccccn1)C2 ZINC001172112513 1097059407 /nfs/dbraw/zinc/05/94/07/1097059407.db2.gz WRIHJEDQUOVWDU-BCDXTJNWSA-N 2 1 301.478 3.255 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172112129 1097060116 /nfs/dbraw/zinc/06/01/16/1097060116.db2.gz RXIHNYLRKQVOAT-OAFZBRQQSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)c1ncccc1F)C2 ZINC001172112182 1097060214 /nfs/dbraw/zinc/06/02/14/1097060214.db2.gz TXAMXERXKRPEGY-QDMKHBRRSA-N 2 1 305.441 3.103 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC3CCC3)n1)C2 ZINC001172114230 1097060560 /nfs/dbraw/zinc/06/05/60/1097060560.db2.gz MJWOCTVREOSJNI-BJWYYQGGSA-N 2 1 315.461 3.118 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC3CCC3)n1)C2 ZINC001172114230 1097060566 /nfs/dbraw/zinc/06/05/66/1097060566.db2.gz MJWOCTVREOSJNI-BJWYYQGGSA-N 2 1 315.461 3.118 20 0 DGADMP C[NH+](C)CCN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115027 1097061214 /nfs/dbraw/zinc/06/12/14/1097061214.db2.gz TXQOVYSFVBMSQS-PMOLBWCYSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121146 1097063271 /nfs/dbraw/zinc/06/32/71/1097063271.db2.gz IDRQLJXTECNJTM-ZMMAXQRCSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121146 1097063277 /nfs/dbraw/zinc/06/32/77/1097063277.db2.gz IDRQLJXTECNJTM-ZMMAXQRCSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121146 1097063282 /nfs/dbraw/zinc/06/32/82/1097063282.db2.gz IDRQLJXTECNJTM-ZMMAXQRCSA-N 2 1 318.436 3.294 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121989 1097063565 /nfs/dbraw/zinc/06/35/65/1097063565.db2.gz OJUOJTCMMCDCIH-YDZRNGNQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121989 1097063570 /nfs/dbraw/zinc/06/35/70/1097063570.db2.gz OJUOJTCMMCDCIH-YDZRNGNQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121989 1097063574 /nfs/dbraw/zinc/06/35/74/1097063574.db2.gz OJUOJTCMMCDCIH-YDZRNGNQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1cccn2c([C@H](C)[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cnc12 ZINC001172119293 1097064925 /nfs/dbraw/zinc/06/49/25/1097064925.db2.gz YGQKTHRPVJVAGB-NXOAAHMSSA-N 2 1 312.461 3.309 20 0 DGADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](CC1CC1)C2 ZINC000096089150 1097077291 /nfs/dbraw/zinc/07/72/91/1097077291.db2.gz BGWHTBHDSQARFB-UHFFFAOYSA-N 2 1 311.429 3.075 20 0 DGADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CC1CC1)C2 ZINC000096089150 1097077296 /nfs/dbraw/zinc/07/72/96/1097077296.db2.gz BGWHTBHDSQARFB-UHFFFAOYSA-N 2 1 311.429 3.075 20 0 DGADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CC1CC1)C2 ZINC000096089150 1097077304 /nfs/dbraw/zinc/07/73/04/1097077304.db2.gz BGWHTBHDSQARFB-UHFFFAOYSA-N 2 1 311.429 3.075 20 0 DGADMP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](CC1CC1)C2 ZINC000096089150 1097077310 /nfs/dbraw/zinc/07/73/10/1097077310.db2.gz BGWHTBHDSQARFB-UHFFFAOYSA-N 2 1 311.429 3.075 20 0 DGADMP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](CC1CC1)C2 ZINC000096089150 1097077321 /nfs/dbraw/zinc/07/73/21/1097077321.db2.gz BGWHTBHDSQARFB-UHFFFAOYSA-N 2 1 311.429 3.075 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172219869 1097079401 /nfs/dbraw/zinc/07/94/01/1097079401.db2.gz QAJLGZXZKMKRPS-VJAOCGABSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172219869 1097079406 /nfs/dbraw/zinc/07/94/06/1097079406.db2.gz QAJLGZXZKMKRPS-VJAOCGABSA-N 2 1 314.473 3.339 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccc(OC)cc2)CC1 ZINC001172247348 1097090280 /nfs/dbraw/zinc/09/02/80/1097090280.db2.gz MBGUEQPNRMRNMD-UHFFFAOYSA-N 2 1 320.477 3.021 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2cccc(C)c2)CC1 ZINC001172248214 1097090708 /nfs/dbraw/zinc/09/07/08/1097090708.db2.gz BCKHHUWSSLBHDG-UHFFFAOYSA-N 2 1 304.478 3.321 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C2(c3ccccc3)CCC2)CC1 ZINC001172248154 1097091099 /nfs/dbraw/zinc/09/10/99/1097091099.db2.gz YZDAQBMUCSPOGQ-UHFFFAOYSA-N 2 1 302.462 3.156 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001172253312 1097091963 /nfs/dbraw/zinc/09/19/63/1097091963.db2.gz KNIRCJFGCQQRDS-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001172253312 1097091970 /nfs/dbraw/zinc/09/19/70/1097091970.db2.gz KNIRCJFGCQQRDS-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP CCc1ccc(C[N@@H+](C)C2CC[NH+](CCCOC)CC2)cc1 ZINC001172253506 1097092208 /nfs/dbraw/zinc/09/22/08/1097092208.db2.gz SAAHGLLSSNVUDC-UHFFFAOYSA-N 2 1 304.478 3.182 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001172254908 1097092578 /nfs/dbraw/zinc/09/25/78/1097092578.db2.gz DEEWIMXNWXWZJS-INIZCTEOSA-N 2 1 308.491 3.386 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001172254908 1097092584 /nfs/dbraw/zinc/09/25/84/1097092584.db2.gz DEEWIMXNWXWZJS-INIZCTEOSA-N 2 1 308.491 3.386 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC001172291949 1097106809 /nfs/dbraw/zinc/10/68/09/1097106809.db2.gz KKJOFIMWDUINFM-QYZOEREBSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC001172291949 1097106811 /nfs/dbraw/zinc/10/68/11/1097106811.db2.gz KKJOFIMWDUINFM-QYZOEREBSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC001172291949 1097106814 /nfs/dbraw/zinc/10/68/14/1097106814.db2.gz KKJOFIMWDUINFM-QYZOEREBSA-N 2 1 314.473 3.008 20 0 DGADMP CCOCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172409556 1097131444 /nfs/dbraw/zinc/13/14/44/1097131444.db2.gz WUJASSZTMZTEPK-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172389266 1097142101 /nfs/dbraw/zinc/14/21/01/1097142101.db2.gz MKVAMYRFBIDLQG-IBGZPJMESA-N 2 1 304.478 3.433 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c4cc[nH]c43)C[C@H]2CC1 ZINC001277325155 1097178926 /nfs/dbraw/zinc/17/89/26/1097178926.db2.gz ZKJWSIISUZTKTF-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c4cc[nH]c43)C[C@H]2CC1 ZINC001277325155 1097178929 /nfs/dbraw/zinc/17/89/29/1097178929.db2.gz ZKJWSIISUZTKTF-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c4cc[nH]c43)C[C@H]2CC1 ZINC001277325155 1097178933 /nfs/dbraw/zinc/17/89/33/1097178933.db2.gz ZKJWSIISUZTKTF-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172611614 1097195839 /nfs/dbraw/zinc/19/58/39/1097195839.db2.gz ZXFPFFXDMFTKDQ-UOVPBQLFSA-N 2 1 322.493 3.233 20 0 DGADMP CCc1nc(C)c(C[N@@H+](C2CCCC2)C2CCN(C)CC2)[nH]1 ZINC001203251195 1097199956 /nfs/dbraw/zinc/19/99/56/1097199956.db2.gz MQJBZNMRXVLPII-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206174667 1097215132 /nfs/dbraw/zinc/21/51/32/1097215132.db2.gz OPMOVIMCUZDZPA-KBPBESRZSA-N 2 1 320.330 3.155 20 0 DGADMP Clc1ccc2c(c1)C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001172722847 1097216991 /nfs/dbraw/zinc/21/69/91/1097216991.db2.gz CABVSCGJKKFNBZ-INIZCTEOSA-N 2 1 301.821 3.343 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)C2CCC3(CCCC3)CC2)CC1 ZINC001172727652 1097219273 /nfs/dbraw/zinc/21/92/73/1097219273.db2.gz MZSNQBHYEZWUJE-WKILWMFISA-N 2 1 306.494 3.460 20 0 DGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1CCC2(CCCC2)CC1 ZINC001172729291 1097219473 /nfs/dbraw/zinc/21/94/73/1097219473.db2.gz UCJVTYIIRBMLNR-RBUKOAKNSA-N 2 1 319.537 3.200 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001172781672 1097240920 /nfs/dbraw/zinc/24/09/20/1097240920.db2.gz XSFPRHGGVVKEKG-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001172781672 1097240924 /nfs/dbraw/zinc/24/09/24/1097240924.db2.gz XSFPRHGGVVKEKG-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP Cc1ccc2[nH]c(C[NH+]3CCC4(CCC[N@@H+](C)C4)CC3)nc2c1 ZINC001277369350 1097283306 /nfs/dbraw/zinc/28/33/06/1097283306.db2.gz XSHWRHRIVHRRPX-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP Cc1ccc2[nH]c(C[NH+]3CCC4(CCC[N@H+](C)C4)CC3)nc2c1 ZINC001277369350 1097283312 /nfs/dbraw/zinc/28/33/12/1097283312.db2.gz XSHWRHRIVHRRPX-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC4(CCC[N@@H+](C)C4)CC3)[nH]c2c1 ZINC001277369350 1097283316 /nfs/dbraw/zinc/28/33/16/1097283316.db2.gz XSHWRHRIVHRRPX-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC4(CCC[N@H+](C)C4)CC3)[nH]c2c1 ZINC001277369350 1097283317 /nfs/dbraw/zinc/28/33/17/1097283317.db2.gz XSHWRHRIVHRRPX-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]CC(F)(F)c2ccccn2)CC1 ZINC001173106804 1097330925 /nfs/dbraw/zinc/33/09/25/1097330925.db2.gz DCKPLVSRGNJGRF-UHFFFAOYSA-N 2 1 311.420 3.416 20 0 DGADMP CCCCCCOC(=O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173107516 1097331703 /nfs/dbraw/zinc/33/17/03/1097331703.db2.gz VMCTVDMBIFGFQQ-UHFFFAOYSA-N 2 1 312.498 3.353 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3C[C@@H]2CN)CC1 ZINC001173111218 1097332747 /nfs/dbraw/zinc/33/27/47/1097332747.db2.gz ZZPPMBSEJGRRHN-SOAGJPPSSA-N 2 1 315.505 3.025 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3C[C@@H]2CN)CC1 ZINC001173111218 1097332749 /nfs/dbraw/zinc/33/27/49/1097332749.db2.gz ZZPPMBSEJGRRHN-SOAGJPPSSA-N 2 1 315.505 3.025 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2CN2CCCC2)CC1 ZINC001173115240 1097333811 /nfs/dbraw/zinc/33/38/11/1097333811.db2.gz ZVGFQMCWVMTBAQ-CTWPCTMYSA-N 2 1 307.526 3.200 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001173173546 1097355184 /nfs/dbraw/zinc/35/51/84/1097355184.db2.gz LCYAJXSCRJULJY-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001173173546 1097355190 /nfs/dbraw/zinc/35/51/90/1097355190.db2.gz LCYAJXSCRJULJY-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173173546 1097355192 /nfs/dbraw/zinc/35/51/92/1097355192.db2.gz LCYAJXSCRJULJY-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C)Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001229699951 1097367476 /nfs/dbraw/zinc/36/74/76/1097367476.db2.gz SRRMYRCGJZADKM-IBGZPJMESA-N 2 1 310.441 3.402 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445545 1097448708 /nfs/dbraw/zinc/44/87/08/1097448708.db2.gz LZFUKFICLOSMAU-DJIMGWMZSA-N 2 1 310.482 3.090 20 0 DGADMP CC[C@@H](C)c1nn(C)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277452163 1097468082 /nfs/dbraw/zinc/46/80/82/1097468082.db2.gz MASUZUDMMPEGDR-MRXNPFEDSA-N 2 1 318.509 3.241 20 0 DGADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173599881 1097469147 /nfs/dbraw/zinc/46/91/47/1097469147.db2.gz SPWPEGLPNWYQAJ-HFCFLWKCSA-N 2 1 324.509 3.210 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206213913 1097500596 /nfs/dbraw/zinc/50/05/96/1097500596.db2.gz WQEKUFUPWKFTMD-QZTJIDSGSA-N 2 1 308.441 3.352 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206213913 1097500602 /nfs/dbraw/zinc/50/06/02/1097500602.db2.gz WQEKUFUPWKFTMD-QZTJIDSGSA-N 2 1 308.441 3.352 20 0 DGADMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1C ZINC001277524796 1097763417 /nfs/dbraw/zinc/76/34/17/1097763417.db2.gz LTCJHLHEVCXGJV-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1C ZINC001277524796 1097763419 /nfs/dbraw/zinc/76/34/19/1097763419.db2.gz LTCJHLHEVCXGJV-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1C ZINC001277524796 1097763423 /nfs/dbraw/zinc/76/34/23/1097763423.db2.gz LTCJHLHEVCXGJV-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1cc[nH+]c(C)c1 ZINC001174654550 1097804337 /nfs/dbraw/zinc/80/43/37/1097804337.db2.gz FQMDTVDTSJIWJO-UHFFFAOYSA-N 2 1 317.190 3.274 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001231824726 1097856631 /nfs/dbraw/zinc/85/66/31/1097856631.db2.gz NTLWQHWHCNVQDU-UHFFFAOYSA-N 2 1 322.346 3.307 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001231824726 1097856640 /nfs/dbraw/zinc/85/66/40/1097856640.db2.gz NTLWQHWHCNVQDU-UHFFFAOYSA-N 2 1 322.346 3.307 20 0 DGADMP Cc1cc(F)ncc1C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001231986132 1097908741 /nfs/dbraw/zinc/90/87/41/1097908741.db2.gz YSSVNUKHLUCBJW-UHFFFAOYSA-N 2 1 310.376 3.347 20 0 DGADMP Cc1cc(F)ncc1CN(C)Cc1ccc(-n2ccnc2)cc1 ZINC001231986132 1097908744 /nfs/dbraw/zinc/90/87/44/1097908744.db2.gz YSSVNUKHLUCBJW-UHFFFAOYSA-N 2 1 310.376 3.347 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012173 1097916385 /nfs/dbraw/zinc/91/63/85/1097916385.db2.gz UTUCQJXMMVVZTH-SFHVURJKSA-N 2 1 315.417 3.118 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001232011328 1097916561 /nfs/dbraw/zinc/91/65/61/1097916561.db2.gz BOIHRIIQZVVWLF-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014238 1097918378 /nfs/dbraw/zinc/91/83/78/1097918378.db2.gz LUSDTCMJLDADRL-MRXNPFEDSA-N 2 1 320.440 3.269 20 0 DGADMP CC[N@@H+](Cc1ccncc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145878 1097950001 /nfs/dbraw/zinc/95/00/01/1097950001.db2.gz ZFZCFLSKVGJQBR-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCC1(F)F ZINC001232143706 1097950066 /nfs/dbraw/zinc/95/00/66/1097950066.db2.gz BTMXCVOSKVROII-GFCCVEGCSA-N 2 1 300.368 3.364 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001232146599 1097950352 /nfs/dbraw/zinc/95/03/52/1097950352.db2.gz VJRFCTANXZPTEC-ZDUSSCGKSA-N 2 1 304.331 3.272 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146053 1097950374 /nfs/dbraw/zinc/95/03/74/1097950374.db2.gz HJBSKBKFWGLXBC-KRWDZBQOSA-N 2 1 308.441 3.277 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccnc4c(F)cccc34)C[C@H]2C1 ZINC001232213077 1097968477 /nfs/dbraw/zinc/96/84/77/1097968477.db2.gz FAPMGLRBWMWQIN-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccnc4c(F)cccc34)C[C@@H]2C1 ZINC001232213077 1097968485 /nfs/dbraw/zinc/96/84/85/1097968485.db2.gz FAPMGLRBWMWQIN-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc4c(F)cccc34)C[C@@H]2C1 ZINC001232213077 1097968489 /nfs/dbraw/zinc/96/84/89/1097968489.db2.gz FAPMGLRBWMWQIN-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc4c(F)cccc34)C[C@@H]2C1 ZINC001232213077 1097968493 /nfs/dbraw/zinc/96/84/93/1097968493.db2.gz FAPMGLRBWMWQIN-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccnc4c(F)cccc34)C[C@@H]2C1 ZINC001232213077 1097968498 /nfs/dbraw/zinc/96/84/98/1097968498.db2.gz FAPMGLRBWMWQIN-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP Nc1cccc2[nH+]cn(C3=CC[N@H+](Cc4ccccc4)CC3)c21 ZINC001175505451 1098076373 /nfs/dbraw/zinc/07/63/73/1098076373.db2.gz CIYMHTZDHXGQCQ-UHFFFAOYSA-N 2 1 304.397 3.365 20 0 DGADMP Nc1cccc2[nH+]cn(C3=CC[N@@H+](Cc4ccccc4)CC3)c21 ZINC001175505451 1098076377 /nfs/dbraw/zinc/07/63/77/1098076377.db2.gz CIYMHTZDHXGQCQ-UHFFFAOYSA-N 2 1 304.397 3.365 20 0 DGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564813 1098099607 /nfs/dbraw/zinc/09/96/07/1098099607.db2.gz FNHWFPKWSXVAER-MRXNPFEDSA-N 2 1 322.497 3.070 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccc4ncsc4c3)CC2)cc[nH+]1 ZINC001232744030 1098126014 /nfs/dbraw/zinc/12/60/14/1098126014.db2.gz JSPMLHOMSRCYBZ-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277708265 1098126267 /nfs/dbraw/zinc/12/62/67/1098126267.db2.gz VRHVCBASKHIPNC-CALCHBBNSA-N 2 1 310.445 3.067 20 0 DGADMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277708265 1098126272 /nfs/dbraw/zinc/12/62/72/1098126272.db2.gz VRHVCBASKHIPNC-CALCHBBNSA-N 2 1 310.445 3.067 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232971439 1098188771 /nfs/dbraw/zinc/18/87/71/1098188771.db2.gz KUVKPMUNAFZKBY-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232971439 1098188774 /nfs/dbraw/zinc/18/87/74/1098188774.db2.gz KUVKPMUNAFZKBY-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000721955531 1098217616 /nfs/dbraw/zinc/21/76/16/1098217616.db2.gz IFAZSQOMJWSAPX-UHFFFAOYSA-N 2 1 315.230 3.114 20 0 DGADMP CN(Cc1ccc(Br)c(F)c1)C1CC[NH+](C)CC1 ZINC000721955531 1098217620 /nfs/dbraw/zinc/21/76/20/1098217620.db2.gz IFAZSQOMJWSAPX-UHFFFAOYSA-N 2 1 315.230 3.114 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001204165487 1098223968 /nfs/dbraw/zinc/22/39/68/1098223968.db2.gz CCSGPRRUEHDZNW-HUUCEWRRSA-N 2 1 312.379 3.479 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc4cccnc4s3)C[C@@H]2C1 ZINC001233349881 1098298287 /nfs/dbraw/zinc/29/82/87/1098298287.db2.gz MGVWDTGZGGUVJT-GJZGRUSLSA-N 2 1 301.459 3.070 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001176280879 1098298820 /nfs/dbraw/zinc/29/88/20/1098298820.db2.gz GCIHUJHBIVCFMB-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001176280879 1098298826 /nfs/dbraw/zinc/29/88/26/1098298826.db2.gz GCIHUJHBIVCFMB-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2nccn21 ZINC001233363503 1098301981 /nfs/dbraw/zinc/30/19/81/1098301981.db2.gz JXHJJQTYVMJJJJ-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2nccn21 ZINC001233363503 1098301991 /nfs/dbraw/zinc/30/19/91/1098301991.db2.gz JXHJJQTYVMJJJJ-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2nccn21 ZINC001233363503 1098301995 /nfs/dbraw/zinc/30/19/95/1098301995.db2.gz JXHJJQTYVMJJJJ-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2nccn21 ZINC001233363503 1098302003 /nfs/dbraw/zinc/30/20/03/1098302003.db2.gz JXHJJQTYVMJJJJ-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP CCN(CCn1ccnc1)Cc1csc(Br)c1 ZINC001233415240 1098320856 /nfs/dbraw/zinc/32/08/56/1098320856.db2.gz KWKWQPFOLZLBQZ-UHFFFAOYSA-N 2 1 314.252 3.229 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233446345 1098335351 /nfs/dbraw/zinc/33/53/51/1098335351.db2.gz RHQXHZVQDXUOSB-IYBDPMFKSA-N 2 1 315.848 3.272 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233446345 1098335353 /nfs/dbraw/zinc/33/53/53/1098335353.db2.gz RHQXHZVQDXUOSB-IYBDPMFKSA-N 2 1 315.848 3.272 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233446345 1098335359 /nfs/dbraw/zinc/33/53/59/1098335359.db2.gz RHQXHZVQDXUOSB-IYBDPMFKSA-N 2 1 315.848 3.272 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233446345 1098335366 /nfs/dbraw/zinc/33/53/66/1098335366.db2.gz RHQXHZVQDXUOSB-IYBDPMFKSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+](C)CCn1cc(Nc2cc[nH+]c(-c3ccccc3)c2)cn1 ZINC001176445217 1098345395 /nfs/dbraw/zinc/34/53/95/1098345395.db2.gz CXGWKSCBBQYVRM-UHFFFAOYSA-N 2 1 307.401 3.250 20 0 DGADMP CC1(C[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176497256 1098367140 /nfs/dbraw/zinc/36/71/40/1098367140.db2.gz VPNGSRBJSXHUCU-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP CC1(C[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176497256 1098367146 /nfs/dbraw/zinc/36/71/46/1098367146.db2.gz VPNGSRBJSXHUCU-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP CC1(C[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176497256 1098367150 /nfs/dbraw/zinc/36/71/50/1098367150.db2.gz VPNGSRBJSXHUCU-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP CC1(C[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176497256 1098367156 /nfs/dbraw/zinc/36/71/56/1098367156.db2.gz VPNGSRBJSXHUCU-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001177299564 1098506280 /nfs/dbraw/zinc/50/62/80/1098506280.db2.gz VWXLLZAKAOKVQP-MRXNPFEDSA-N 2 1 321.484 3.493 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001177416036 1098530747 /nfs/dbraw/zinc/53/07/47/1098530747.db2.gz GUSNGGAXPMYLTB-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001206304879 1098546129 /nfs/dbraw/zinc/54/61/29/1098546129.db2.gz QJQTWUIMPVCDDL-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001206308699 1098574141 /nfs/dbraw/zinc/57/41/41/1098574141.db2.gz GOUYUKPBXQLXLT-KRWDZBQOSA-N 2 1 308.853 3.027 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)c1 ZINC001234627575 1098624966 /nfs/dbraw/zinc/62/49/66/1098624966.db2.gz PVIJPYZRXLPUPU-QGZVFWFLSA-N 2 1 315.417 3.079 20 0 DGADMP COc1cccc(O[C@@H]2CCCN(Cc3[nH]c(C)nc3C)C2)c1 ZINC001234627575 1098624967 /nfs/dbraw/zinc/62/49/67/1098624967.db2.gz PVIJPYZRXLPUPU-QGZVFWFLSA-N 2 1 315.417 3.079 20 0 DGADMP CCN(Cc1[nH]c(C)nc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001234644567 1098629053 /nfs/dbraw/zinc/62/90/53/1098629053.db2.gz GCYQMKIMCUSSIO-SFHVURJKSA-N 2 1 312.461 3.123 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2)[C@@H]1c1cccs1 ZINC001177913356 1098647011 /nfs/dbraw/zinc/64/70/11/1098647011.db2.gz WYUFNCHQZNHPNH-NVXWUHKLSA-N 2 1 301.459 3.316 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2)[C@@H]1c1cccs1 ZINC001177913356 1098647015 /nfs/dbraw/zinc/64/70/15/1098647015.db2.gz WYUFNCHQZNHPNH-NVXWUHKLSA-N 2 1 301.459 3.316 20 0 DGADMP CCOC(=O)CCCN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277880425 1098652148 /nfs/dbraw/zinc/65/21/48/1098652148.db2.gz KHNZKEGVVPSDEY-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277880425 1098652152 /nfs/dbraw/zinc/65/21/52/1098652152.db2.gz KHNZKEGVVPSDEY-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277880425 1098652154 /nfs/dbraw/zinc/65/21/54/1098652154.db2.gz KHNZKEGVVPSDEY-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277880425 1098652157 /nfs/dbraw/zinc/65/21/57/1098652157.db2.gz KHNZKEGVVPSDEY-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277880425 1098652158 /nfs/dbraw/zinc/65/21/58/1098652158.db2.gz KHNZKEGVVPSDEY-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1CC ZINC001234992232 1098736243 /nfs/dbraw/zinc/73/62/43/1098736243.db2.gz HWPXHHVZMIPZBZ-IBGZPJMESA-N 2 1 302.462 3.223 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1CC ZINC001234992232 1098736246 /nfs/dbraw/zinc/73/62/46/1098736246.db2.gz HWPXHHVZMIPZBZ-IBGZPJMESA-N 2 1 302.462 3.223 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234990578 1098737031 /nfs/dbraw/zinc/73/70/31/1098737031.db2.gz BCSVIHDEVBJICP-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP c1ccc(COCCCCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234993430 1098739201 /nfs/dbraw/zinc/73/92/01/1098739201.db2.gz NQZXNVSLTLYQTN-FQEVSTJZSA-N 2 1 316.489 3.449 20 0 DGADMP c1ccc(CCCCC[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008232 1098749249 /nfs/dbraw/zinc/74/92/49/1098749249.db2.gz SLTHUEZEBMPAAI-HXUWFJFHSA-N 2 1 316.489 3.101 20 0 DGADMP c1cc2c(cccc2C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001235023787 1098754217 /nfs/dbraw/zinc/75/42/17/1098754217.db2.gz XAUJHIIJCOXVJY-SFHVURJKSA-N 2 1 316.470 3.103 20 0 DGADMP c1cc2c(cccc2C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001235023787 1098754224 /nfs/dbraw/zinc/75/42/24/1098754224.db2.gz XAUJHIIJCOXVJY-SFHVURJKSA-N 2 1 316.470 3.103 20 0 DGADMP CC(C)Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020497 1098755152 /nfs/dbraw/zinc/75/51/52/1098755152.db2.gz DHBFENWCDKWSQT-HXUWFJFHSA-N 2 1 316.489 3.087 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020497 1098755157 /nfs/dbraw/zinc/75/51/57/1098755157.db2.gz DHBFENWCDKWSQT-HXUWFJFHSA-N 2 1 316.489 3.087 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025094 1098756730 /nfs/dbraw/zinc/75/67/30/1098756730.db2.gz VTADDXATYMCTMW-UHFFFAOYSA-N 2 1 308.425 3.158 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc21 ZINC001235027268 1098757252 /nfs/dbraw/zinc/75/72/52/1098757252.db2.gz ZJNGKNZOICRJBR-MAUKXSAKSA-N 2 1 305.425 3.125 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc21 ZINC001235027268 1098757258 /nfs/dbraw/zinc/75/72/58/1098757258.db2.gz ZJNGKNZOICRJBR-MAUKXSAKSA-N 2 1 305.425 3.125 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235030666 1098758756 /nfs/dbraw/zinc/75/87/56/1098758756.db2.gz BMWUXRKDWFBBOS-CQSZACIVSA-N 2 1 316.392 3.484 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235030666 1098758766 /nfs/dbraw/zinc/75/87/66/1098758766.db2.gz BMWUXRKDWFBBOS-CQSZACIVSA-N 2 1 316.392 3.484 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235029842 1098760262 /nfs/dbraw/zinc/76/02/62/1098760262.db2.gz AFORIHUEGWVAOU-AZUAARDMSA-N 2 1 308.425 3.059 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235029842 1098760273 /nfs/dbraw/zinc/76/02/73/1098760273.db2.gz AFORIHUEGWVAOU-AZUAARDMSA-N 2 1 308.425 3.059 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc1-2 ZINC001235031911 1098761290 /nfs/dbraw/zinc/76/12/90/1098761290.db2.gz HQPZINHIBDUDJZ-NRFANRHFSA-N 2 1 304.437 3.443 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032624 1098762205 /nfs/dbraw/zinc/76/22/05/1098762205.db2.gz SAKCIGYUWNWLON-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041239 1098768798 /nfs/dbraw/zinc/76/87/98/1098768798.db2.gz ORJQBIDACIJVEL-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP Cc1cc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc(C)c1Br ZINC001235089297 1098790432 /nfs/dbraw/zinc/79/04/32/1098790432.db2.gz ORHWMSVLGMIIQL-UHFFFAOYSA-N 2 1 323.278 3.251 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC001235091917 1098793344 /nfs/dbraw/zinc/79/33/44/1098793344.db2.gz FHLIVFFDZOMNGE-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c12 ZINC001235093110 1098795860 /nfs/dbraw/zinc/79/58/60/1098795860.db2.gz PAUPNHYHZCDPFQ-UHFFFAOYSA-N 2 1 303.837 3.397 20 0 DGADMP CC(C)Oc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc(F)c1F ZINC001235095562 1098798173 /nfs/dbraw/zinc/79/81/73/1098798173.db2.gz SHOYCNAUGBLHEP-UHFFFAOYSA-N 2 1 324.415 3.328 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235095790 1098798553 /nfs/dbraw/zinc/79/85/53/1098798553.db2.gz VVLADEVFMRKEAQ-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235103149 1098803758 /nfs/dbraw/zinc/80/37/58/1098803758.db2.gz SQLXESHJYYDAQN-UHFFFAOYSA-N 2 1 314.351 3.222 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235103149 1098803774 /nfs/dbraw/zinc/80/37/74/1098803774.db2.gz SQLXESHJYYDAQN-UHFFFAOYSA-N 2 1 314.351 3.222 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152314 1098837449 /nfs/dbraw/zinc/83/74/49/1098837449.db2.gz LZPNEQYTSGMSBM-IBGZPJMESA-N 2 1 316.489 3.482 20 0 DGADMP Fc1ccc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235152671 1098837719 /nfs/dbraw/zinc/83/77/19/1098837719.db2.gz OTFZLNHHPTUFIV-GOSISDBHSA-N 2 1 308.416 3.361 20 0 DGADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235151163 1098837810 /nfs/dbraw/zinc/83/78/10/1098837810.db2.gz CMDGCIGKCNYXHH-GOSISDBHSA-N 2 1 318.461 3.058 20 0 DGADMP CCc1ccccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001178464077 1098841055 /nfs/dbraw/zinc/84/10/55/1098841055.db2.gz WKNHWYWBMHDLNX-OAQYLSRUSA-N 2 1 324.468 3.105 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Cl)n1 ZINC001235154651 1098841671 /nfs/dbraw/zinc/84/16/71/1098841671.db2.gz JNDCHICMUODURB-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP Fc1cccc(F)c1CC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154877 1098842457 /nfs/dbraw/zinc/84/24/57/1098842457.db2.gz WWCCSRIVNCWSDV-GOSISDBHSA-N 2 1 308.416 3.361 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235161644 1098847352 /nfs/dbraw/zinc/84/73/52/1098847352.db2.gz UDVRZTTVRKNNGO-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190615 1098867108 /nfs/dbraw/zinc/86/71/08/1098867108.db2.gz XOPHQTPWOZALLC-UHFFFAOYSA-N 2 1 318.461 3.120 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190615 1098867111 /nfs/dbraw/zinc/86/71/11/1098867111.db2.gz XOPHQTPWOZALLC-UHFFFAOYSA-N 2 1 318.461 3.120 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235197233 1098872322 /nfs/dbraw/zinc/87/23/22/1098872322.db2.gz FLDKSFXNOHWGCU-CHWSQXEVSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235197233 1098872330 /nfs/dbraw/zinc/87/23/30/1098872330.db2.gz FLDKSFXNOHWGCU-CHWSQXEVSA-N 2 1 316.392 3.340 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235229098 1098901936 /nfs/dbraw/zinc/90/19/36/1098901936.db2.gz NYQOZQJOWIEAJV-LJQANCHMSA-N 2 1 324.472 3.431 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235229095 1098902465 /nfs/dbraw/zinc/90/24/65/1098902465.db2.gz NYQOZQJOWIEAJV-IBGZPJMESA-N 2 1 324.472 3.431 20 0 DGADMP Fc1cnc(Cl)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235229502 1098904090 /nfs/dbraw/zinc/90/40/90/1098904090.db2.gz PYEKCLJTNONECQ-HNNXBMFYSA-N 2 1 311.832 3.228 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1C ZINC001235232752 1098905589 /nfs/dbraw/zinc/90/55/89/1098905589.db2.gz WJPAYSADROBFLP-HOTGVXAUSA-N 2 1 312.379 3.196 20 0 DGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1C ZINC001235232752 1098905597 /nfs/dbraw/zinc/90/55/97/1098905597.db2.gz WJPAYSADROBFLP-HOTGVXAUSA-N 2 1 312.379 3.196 20 0 DGADMP CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693480 1098911558 /nfs/dbraw/zinc/91/15/58/1098911558.db2.gz TYMXERLITCMKDI-SFHVURJKSA-N 2 1 323.525 3.068 20 0 DGADMP COc1cc(F)c(F)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243916 1098916922 /nfs/dbraw/zinc/91/69/22/1098916922.db2.gz ZRGDKXZFKDSNMI-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccn1-c1ccc(Cl)cc1 ZINC001235253732 1098924490 /nfs/dbraw/zinc/92/44/90/1098924490.db2.gz DLCAZBNYHBMRTI-ZLIFDBKOSA-N 2 1 301.821 3.052 20 0 DGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccn1-c1ccc(Cl)cc1 ZINC001235253732 1098924498 /nfs/dbraw/zinc/92/44/98/1098924498.db2.gz DLCAZBNYHBMRTI-ZLIFDBKOSA-N 2 1 301.821 3.052 20 0 DGADMP Brc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235254318 1098925543 /nfs/dbraw/zinc/92/55/43/1098925543.db2.gz IFBKSPLSSKZJHP-GDBMZVCRSA-N 2 1 323.278 3.066 20 0 DGADMP CCc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001235256685 1098929866 /nfs/dbraw/zinc/92/98/66/1098929866.db2.gz BAVLWVVZFDVOGZ-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001235256685 1098929874 /nfs/dbraw/zinc/92/98/74/1098929874.db2.gz BAVLWVVZFDVOGZ-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001235256685 1098929881 /nfs/dbraw/zinc/92/98/81/1098929881.db2.gz BAVLWVVZFDVOGZ-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001235256685 1098929888 /nfs/dbraw/zinc/92/98/88/1098929888.db2.gz BAVLWVVZFDVOGZ-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811351 1098939686 /nfs/dbraw/zinc/93/96/86/1098939686.db2.gz SEAAUAARFDXSDO-ZWKOTPCHSA-N 2 1 323.525 3.070 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C(C)C ZINC001235267801 1098940218 /nfs/dbraw/zinc/94/02/18/1098940218.db2.gz JDSMJWDMDCKMCO-MAUKXSAKSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C(C)C ZINC001235267801 1098940228 /nfs/dbraw/zinc/94/02/28/1098940228.db2.gz JDSMJWDMDCKMCO-MAUKXSAKSA-N 2 1 302.462 3.311 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811348 1098940096 /nfs/dbraw/zinc/94/00/96/1098940096.db2.gz SEAAUAARFDXSDO-MSOLQXFVSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926381 1098964959 /nfs/dbraw/zinc/96/49/59/1098964959.db2.gz TTWOUKRUQHOJFS-BZSNNMDCSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342542 1098967245 /nfs/dbraw/zinc/96/72/45/1098967245.db2.gz XMVWCGNZCXGRLE-GOSISDBHSA-N 2 1 322.452 3.404 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235368338 1098982955 /nfs/dbraw/zinc/98/29/55/1098982955.db2.gz VQWJKAJZFWSHLL-LEWJYISDSA-N 2 1 306.453 3.440 20 0 DGADMP Fc1cccc(CC[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235378384 1098987786 /nfs/dbraw/zinc/98/77/86/1098987786.db2.gz HEWWOBLEBWQMBA-RTWAWAEBSA-N 2 1 324.443 3.447 20 0 DGADMP c1csc(CC[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235381019 1098988338 /nfs/dbraw/zinc/98/83/38/1098988338.db2.gz ZOODORNYNQLJRR-MOPGFXCFSA-N 2 1 312.482 3.370 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001235401601 1098997135 /nfs/dbraw/zinc/99/71/35/1098997135.db2.gz HJJNWZCKHOOQOD-OALUTQOASA-N 2 1 313.420 3.001 20 0 DGADMP CCSc1ccccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403099 1098999085 /nfs/dbraw/zinc/99/90/85/1098999085.db2.gz ZMORTDLYBFDFFD-DLBZAZTESA-N 2 1 308.466 3.322 20 0 DGADMP CCSc1ccccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403099 1098999093 /nfs/dbraw/zinc/99/90/93/1098999093.db2.gz ZMORTDLYBFDFFD-DLBZAZTESA-N 2 1 308.466 3.322 20 0 DGADMP CCc1cccc2c(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)c[nH]c21 ZINC001235404035 1099002339 /nfs/dbraw/zinc/00/23/39/1099002339.db2.gz MAIYWGCFDQZTTC-MJGOQNOKSA-N 2 1 315.436 3.254 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235409203 1099003580 /nfs/dbraw/zinc/00/35/80/1099003580.db2.gz WFSRQCCRUAHURZ-OALUTQOASA-N 2 1 315.436 3.185 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235409865 1099007245 /nfs/dbraw/zinc/00/72/45/1099007245.db2.gz XLNFFDYPRJYJCD-OALUTQOASA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235409865 1099007258 /nfs/dbraw/zinc/00/72/58/1099007258.db2.gz XLNFFDYPRJYJCD-OALUTQOASA-N 2 1 320.452 3.389 20 0 DGADMP c1cn(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC001235421745 1099014639 /nfs/dbraw/zinc/01/46/39/1099014639.db2.gz BZLKQZXYOUJXGU-RTBURBONSA-N 2 1 324.472 3.084 20 0 DGADMP Cc1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235425155 1099015300 /nfs/dbraw/zinc/01/53/00/1099015300.db2.gz ILOOGOIQNIGXBO-HOCLYGCPSA-N 2 1 308.416 3.485 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426691 1099018630 /nfs/dbraw/zinc/01/86/30/1099018630.db2.gz QCMZPBBGQJULDS-MSOLQXFVSA-N 2 1 324.509 3.212 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426664 1099020537 /nfs/dbraw/zinc/02/05/37/1099020537.db2.gz PNOOUWGHARTPKE-RTBURBONSA-N 2 1 316.489 3.339 20 0 DGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426787 1099020561 /nfs/dbraw/zinc/02/05/61/1099020561.db2.gz LJZGCNHPYRYIRN-DLBZAZTESA-N 2 1 311.473 3.390 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC001235428972 1099023482 /nfs/dbraw/zinc/02/34/82/1099023482.db2.gz WAOWZFSSEYXHAD-DLBZAZTESA-N 2 1 311.473 3.390 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ncc1Cl ZINC001235428167 1099023779 /nfs/dbraw/zinc/02/37/79/1099023779.db2.gz PFAUIHJINFIESX-LSDHHAIUSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235431036 1099026516 /nfs/dbraw/zinc/02/65/16/1099026516.db2.gz UCWXQNHMXZUTOH-CABCVRRESA-N 2 1 307.869 3.255 20 0 DGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235432738 1099027563 /nfs/dbraw/zinc/02/75/63/1099027563.db2.gz XVPHQUZCRHBNLE-LSDHHAIUSA-N 2 1 308.416 3.485 20 0 DGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235432734 1099029884 /nfs/dbraw/zinc/02/98/84/1099029884.db2.gz XVPHQUZCRHBNLE-CABCVRRESA-N 2 1 308.416 3.485 20 0 DGADMP C[N@H+](Cc1cccn1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235464178 1099050435 /nfs/dbraw/zinc/05/04/35/1099050435.db2.gz AICUOAPMMHGTEB-UHFFFAOYSA-N 2 1 303.837 3.315 20 0 DGADMP C[N@@H+](Cc1cccn1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235464178 1099050448 /nfs/dbraw/zinc/05/04/48/1099050448.db2.gz AICUOAPMMHGTEB-UHFFFAOYSA-N 2 1 303.837 3.315 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001235465197 1099051401 /nfs/dbraw/zinc/05/14/01/1099051401.db2.gz HUCJLNBTGJLFBT-UHFFFAOYSA-N 2 1 311.267 3.195 20 0 DGADMP CSc1ncc(C)cc1CN1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277948360 1099060988 /nfs/dbraw/zinc/06/09/88/1099060988.db2.gz CMXMZJNJXDGQTD-GOSISDBHSA-N 2 1 319.518 3.420 20 0 DGADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361570 1099084365 /nfs/dbraw/zinc/08/43/65/1099084365.db2.gz JVZKWILXPQXZHJ-SFHVURJKSA-N 2 1 323.525 3.070 20 0 DGADMP C[C@H]([NH3+])C[NH+]1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 ZINC001235631625 1099102486 /nfs/dbraw/zinc/10/24/86/1099102486.db2.gz LECXWLWJHBMQKC-INIZCTEOSA-N 2 1 321.468 3.376 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001277957834 1099103471 /nfs/dbraw/zinc/10/34/71/1099103471.db2.gz FAHAPDQEMRUWBE-MSOLQXFVSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001235667373 1099112053 /nfs/dbraw/zinc/11/20/53/1099112053.db2.gz XPHWYNVQRZOZKR-DJIMGWMZSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001235667373 1099112062 /nfs/dbraw/zinc/11/20/62/1099112062.db2.gz XPHWYNVQRZOZKR-DJIMGWMZSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC001235664292 1099112094 /nfs/dbraw/zinc/11/20/94/1099112094.db2.gz QGTVDWHZEBNIMZ-BXUZGUMPSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001235664292 1099112096 /nfs/dbraw/zinc/11/20/96/1099112096.db2.gz QGTVDWHZEBNIMZ-BXUZGUMPSA-N 2 1 302.796 3.263 20 0 DGADMP Fc1cccc(OC2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235670571 1099114811 /nfs/dbraw/zinc/11/48/11/1099114811.db2.gz VVHYFWQYFMUCBV-INIZCTEOSA-N 2 1 306.425 3.201 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001235674279 1099117790 /nfs/dbraw/zinc/11/77/90/1099117790.db2.gz DWSBTUIXOCALHI-IBGZPJMESA-N 2 1 310.441 3.436 20 0 DGADMP COc1ccc(C[N@H+](C)CCC[NH2+]C2CCCCC2)cc1OC ZINC001235675505 1099118704 /nfs/dbraw/zinc/11/87/04/1099118704.db2.gz YFLSMLTWQMVWGK-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC[NH2+]C2CCCCC2)cc1OC ZINC001235675505 1099118708 /nfs/dbraw/zinc/11/87/08/1099118708.db2.gz YFLSMLTWQMVWGK-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCOc1c(F)cc(C[NH+]2CCC(C[NH2+]C)CC2)cc1Cl ZINC001235677456 1099120647 /nfs/dbraw/zinc/12/06/47/1099120647.db2.gz FIAUKMHPTNPHKC-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235693637 1099133013 /nfs/dbraw/zinc/13/30/13/1099133013.db2.gz YMGZHWWCNSFXBR-MSOLQXFVSA-N 2 1 302.462 3.370 20 0 DGADMP Fc1cc(F)c(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235702317 1099136263 /nfs/dbraw/zinc/13/62/63/1099136263.db2.gz RSPDGGRVPZPPAB-UHFFFAOYSA-N 2 1 312.379 3.316 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702438 1099136382 /nfs/dbraw/zinc/13/63/82/1099136382.db2.gz VBWBCDUYAYSHHQ-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1C(C)C ZINC001235713203 1099141593 /nfs/dbraw/zinc/14/15/93/1099141593.db2.gz JPQIJSQZSWXHJK-UHFFFAOYSA-N 2 1 302.462 3.312 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1C(C)C ZINC001235713203 1099141596 /nfs/dbraw/zinc/14/15/96/1099141596.db2.gz JPQIJSQZSWXHJK-UHFFFAOYSA-N 2 1 302.462 3.312 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(F)c(F)cc1Cl ZINC001235716909 1099143205 /nfs/dbraw/zinc/14/32/05/1099143205.db2.gz MLQPJUJHWKFHKA-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)c(N2CCCC2)c1 ZINC001235717971 1099143521 /nfs/dbraw/zinc/14/35/21/1099143521.db2.gz PZVXSGMSGSKADE-UHFFFAOYSA-N 2 1 319.468 3.247 20 0 DGADMP Cc1c(C[N@@H+](C)CCC2CC[NH2+]CC2)[nH]c2ccc(F)cc12 ZINC001235717430 1099144415 /nfs/dbraw/zinc/14/44/15/1099144415.db2.gz VBVRBDXYXVJIFX-UHFFFAOYSA-N 2 1 303.425 3.437 20 0 DGADMP Cc1nc2cc(C[N@@H+](C)CCC3CC[NH2+]CC3)ccc2s1 ZINC001235717547 1099144425 /nfs/dbraw/zinc/14/44/25/1099144425.db2.gz JDESHUDQZQWYOE-UHFFFAOYSA-N 2 1 303.475 3.426 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)c1F ZINC001235716975 1099144504 /nfs/dbraw/zinc/14/45/04/1099144504.db2.gz QDIJSPMGGCHLFN-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC1(F)CC[NH2+]CC1 ZINC001235725064 1099147395 /nfs/dbraw/zinc/14/73/95/1099147395.db2.gz FXYRHKWSLXVZOZ-UHFFFAOYSA-N 2 1 304.331 3.229 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(OCc2ccccc2)c1 ZINC001235749052 1099163154 /nfs/dbraw/zinc/16/31/54/1099163154.db2.gz GBANYACFQOSULH-SFHVURJKSA-N 2 1 310.441 3.355 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235762544 1099170708 /nfs/dbraw/zinc/17/07/08/1099170708.db2.gz VSBGAHWGAZFJTD-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235762544 1099170710 /nfs/dbraw/zinc/17/07/10/1099170710.db2.gz VSBGAHWGAZFJTD-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC001235840667 1099202908 /nfs/dbraw/zinc/20/29/08/1099202908.db2.gz SJCNUFLQQIEHIO-WFASDCNBSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001235840667 1099202911 /nfs/dbraw/zinc/20/29/11/1099202911.db2.gz SJCNUFLQQIEHIO-WFASDCNBSA-N 2 1 316.823 3.305 20 0 DGADMP C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C[C@H]1CC[NH2+]C1 ZINC001235841725 1099205213 /nfs/dbraw/zinc/20/52/13/1099205213.db2.gz IFDYUADBCXMWPU-KRWDZBQOSA-N 2 1 320.440 3.067 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235843547 1099206790 /nfs/dbraw/zinc/20/67/90/1099206790.db2.gz YQGCRCKXLZGUCC-LBPRGKRZSA-N 2 1 311.267 3.053 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001235865368 1099227167 /nfs/dbraw/zinc/22/71/67/1099227167.db2.gz CSLAAJMUWRTASH-HKUYNNGSSA-N 2 1 313.489 3.251 20 0 DGADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235867789 1099228014 /nfs/dbraw/zinc/22/80/14/1099228014.db2.gz UISVULBIAYSXGO-OXJNMPFZSA-N 2 1 316.489 3.381 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001235892438 1099238609 /nfs/dbraw/zinc/23/86/09/1099238609.db2.gz QSBLJBROSHVNTG-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001235892438 1099238615 /nfs/dbraw/zinc/23/86/15/1099238615.db2.gz QSBLJBROSHVNTG-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235928945 1099264642 /nfs/dbraw/zinc/26/46/42/1099264642.db2.gz FWUXKGQQPJXJIC-LSDHHAIUSA-N 2 1 312.379 3.179 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235929812 1099264979 /nfs/dbraw/zinc/26/49/79/1099264979.db2.gz UQCDTYDVZXMODN-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP COc1ccc(C(C)(C)C[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC001179983681 1099265900 /nfs/dbraw/zinc/26/59/00/1099265900.db2.gz DALHZBYWSBYQKQ-UHFFFAOYSA-N 2 1 320.477 3.007 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235936773 1099270948 /nfs/dbraw/zinc/27/09/48/1099270948.db2.gz HDPIICZYLVQTMT-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235936944 1099273268 /nfs/dbraw/zinc/27/32/68/1099273268.db2.gz OBYHTUOREOUCBJ-IRXDYDNUSA-N 2 1 302.462 3.132 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235940271 1099274831 /nfs/dbraw/zinc/27/48/31/1099274831.db2.gz RUUADFZXYYSARF-UXHICEINSA-N 2 1 322.452 3.404 20 0 DGADMP COCCC[N@@H+](Cc1ccc(C2CC2)cc1)C1CC[NH2+]CC1 ZINC001235940445 1099274998 /nfs/dbraw/zinc/27/49/98/1099274998.db2.gz SMVXLAWOWNXPOL-UHFFFAOYSA-N 2 1 302.462 3.155 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939147 1099275460 /nfs/dbraw/zinc/27/54/60/1099275460.db2.gz NXSIPEUYTGXCIK-HUUCEWRRSA-N 2 1 323.278 3.053 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939147 1099275469 /nfs/dbraw/zinc/27/54/69/1099275469.db2.gz NXSIPEUYTGXCIK-HUUCEWRRSA-N 2 1 323.278 3.053 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939812 1099275717 /nfs/dbraw/zinc/27/57/17/1099275717.db2.gz KMQAJMPBFPEFJN-NHYWBVRUSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939812 1099275724 /nfs/dbraw/zinc/27/57/24/1099275724.db2.gz KMQAJMPBFPEFJN-NHYWBVRUSA-N 2 1 314.807 3.189 20 0 DGADMP Clc1ccc(-n2cccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235943879 1099276564 /nfs/dbraw/zinc/27/65/64/1099276564.db2.gz ZQAXZXHOCCZSBN-HUUCEWRRSA-N 2 1 315.848 3.172 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235948335 1099280144 /nfs/dbraw/zinc/28/01/44/1099280144.db2.gz NREZUDTYJQLCTN-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235948335 1099280149 /nfs/dbraw/zinc/28/01/49/1099280149.db2.gz NREZUDTYJQLCTN-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235948335 1099280155 /nfs/dbraw/zinc/28/01/55/1099280155.db2.gz NREZUDTYJQLCTN-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1sc2ccccc2c1Cl ZINC001235948381 1099280930 /nfs/dbraw/zinc/28/09/30/1099280930.db2.gz MXQUWYWHEKXYJF-GFCCVEGCSA-N 2 1 324.877 3.365 20 0 DGADMP COc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001235952552 1099285771 /nfs/dbraw/zinc/28/57/71/1099285771.db2.gz ZJNFDDUIUZNQDU-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP COc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001235952552 1099285776 /nfs/dbraw/zinc/28/57/76/1099285776.db2.gz ZJNFDDUIUZNQDU-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001235956480 1099286989 /nfs/dbraw/zinc/28/69/89/1099286989.db2.gz DXXKJWVRXFRJIA-QGZVFWFLSA-N 2 1 311.473 3.337 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(OC(F)(F)F)c1 ZINC001235956757 1099287708 /nfs/dbraw/zinc/28/77/08/1099287708.db2.gz HHSSHQBQKWPTAA-CYBMUJFWSA-N 2 1 316.367 3.325 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961507 1099293294 /nfs/dbraw/zinc/29/32/94/1099293294.db2.gz BFPDPJQQNSBQLS-IUODEOHRSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961507 1099293302 /nfs/dbraw/zinc/29/33/02/1099293302.db2.gz BFPDPJQQNSBQLS-IUODEOHRSA-N 2 1 300.368 3.138 20 0 DGADMP COC[C@@H](C)[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963108 1099294949 /nfs/dbraw/zinc/29/49/49/1099294949.db2.gz UKDIHVNURHOYHT-SJLPKXTDSA-N 2 1 320.477 3.064 20 0 DGADMP COC[C@@H](C)[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963108 1099294955 /nfs/dbraw/zinc/29/49/55/1099294955.db2.gz UKDIHVNURHOYHT-SJLPKXTDSA-N 2 1 320.477 3.064 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001180080564 1099305198 /nfs/dbraw/zinc/30/51/98/1099305198.db2.gz FFQXALNJBFROIB-SFHVURJKSA-N 2 1 319.493 3.051 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973750 1099305267 /nfs/dbraw/zinc/30/52/67/1099305267.db2.gz JXWFNKYQJGJFOR-SCTDSRPQSA-N 2 1 308.469 3.336 20 0 DGADMP CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236007362 1099329299 /nfs/dbraw/zinc/32/92/99/1099329299.db2.gz YTWUORXYVHZRGY-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP c1cc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2[nH]1 ZINC001236011852 1099335383 /nfs/dbraw/zinc/33/53/83/1099335383.db2.gz DCROQHGAUCKHJG-CTNGQTDRSA-N 2 1 317.436 3.141 20 0 DGADMP CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001236060896 1099361233 /nfs/dbraw/zinc/36/12/33/1099361233.db2.gz SZEBJDNSZWYSPA-UHFFFAOYSA-N 2 1 320.436 3.093 20 0 DGADMP CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001236060896 1099361245 /nfs/dbraw/zinc/36/12/45/1099361245.db2.gz SZEBJDNSZWYSPA-UHFFFAOYSA-N 2 1 320.436 3.093 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236066637 1099366560 /nfs/dbraw/zinc/36/65/60/1099366560.db2.gz JFIJGXIVLOFVLV-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084655 1099376153 /nfs/dbraw/zinc/37/61/53/1099376153.db2.gz DEQLKTCPGGBCJM-BBRMVZONSA-N 2 1 308.416 3.271 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084655 1099376160 /nfs/dbraw/zinc/37/61/60/1099376160.db2.gz DEQLKTCPGGBCJM-BBRMVZONSA-N 2 1 308.416 3.271 20 0 DGADMP CCCCCCc1csc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC001236081912 1099376242 /nfs/dbraw/zinc/37/62/42/1099376242.db2.gz SLKJBBPJOGRCFB-UHFFFAOYSA-N 2 1 323.550 3.208 20 0 DGADMP FC(F)(F)c1cccc2c1CC[N@H+](CC1(F)CC[NH2+]CC1)C2 ZINC001236085833 1099378072 /nfs/dbraw/zinc/37/80/72/1099378072.db2.gz WHGBWFWRXSTAMK-UHFFFAOYSA-N 2 1 316.342 3.155 20 0 DGADMP FC(F)(F)c1cccc2c1CC[N@@H+](CC1(F)CC[NH2+]CC1)C2 ZINC001236085833 1099378078 /nfs/dbraw/zinc/37/80/78/1099378078.db2.gz WHGBWFWRXSTAMK-UHFFFAOYSA-N 2 1 316.342 3.155 20 0 DGADMP [NH3+]CCCCCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001236089352 1099378550 /nfs/dbraw/zinc/37/85/50/1099378550.db2.gz QVYFBJLBXNFGJW-UHFFFAOYSA-N 2 1 311.473 3.086 20 0 DGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369374 1099397825 /nfs/dbraw/zinc/39/78/25/1099397825.db2.gz BKLLRUDANPNSOV-UHFFFAOYSA-N 2 1 313.530 3.029 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001236132199 1099420514 /nfs/dbraw/zinc/42/05/14/1099420514.db2.gz HJUJKNWOLRMTIM-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001236142682 1099428010 /nfs/dbraw/zinc/42/80/10/1099428010.db2.gz ZRLRTPXRHJTBKM-UHFFFAOYSA-N 2 1 310.747 3.409 20 0 DGADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001204273073 1099432464 /nfs/dbraw/zinc/43/24/64/1099432464.db2.gz WSEUDAHMAZWURJ-LPHOPBHVSA-N 2 1 320.477 3.016 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC)cc1OCC)C1CC[NH2+]CC1 ZINC001236182258 1099453084 /nfs/dbraw/zinc/45/30/84/1099453084.db2.gz IOAMAXLQZJJKOC-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCC[N@@H+](Cc1ccc(OCC)cc1OCC)C1CC[NH2+]CC1 ZINC001236182258 1099453091 /nfs/dbraw/zinc/45/30/91/1099453091.db2.gz IOAMAXLQZJJKOC-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC001236216300 1099471699 /nfs/dbraw/zinc/47/16/99/1099471699.db2.gz XMGQARJNXMTILH-UHFFFAOYSA-N 2 1 324.852 3.089 20 0 DGADMP CC1(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001236221377 1099480103 /nfs/dbraw/zinc/48/01/03/1099480103.db2.gz DWFCOJMUALTGQD-INIZCTEOSA-N 2 1 308.466 3.382 20 0 DGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1Br ZINC001236222862 1099480511 /nfs/dbraw/zinc/48/05/11/1099480511.db2.gz MQPPJNARJCAAKY-HDJSIYSDSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](C[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223347 1099481603 /nfs/dbraw/zinc/48/16/03/1099481603.db2.gz PBYLEWFLOMDYSQ-VAMGGRTRSA-N 2 1 315.505 3.243 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236228286 1099483647 /nfs/dbraw/zinc/48/36/47/1099483647.db2.gz SJCNKPDSHVELJT-UHFFFAOYSA-N 2 1 312.461 3.299 20 0 DGADMP CC1(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001236228705 1099483834 /nfs/dbraw/zinc/48/38/34/1099483834.db2.gz YEAKGUBSHPEYEY-UHFFFAOYSA-N 3 1 315.505 3.148 20 0 DGADMP Cc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc(OC(F)(F)F)c1 ZINC001236225682 1099484168 /nfs/dbraw/zinc/48/41/68/1099484168.db2.gz BLNFKZJNYNWXER-UHFFFAOYSA-N 2 1 316.367 3.468 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1F)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236240210 1099493616 /nfs/dbraw/zinc/49/36/16/1099493616.db2.gz JQYUYIVVLAQIJE-WCQYABFASA-N 2 1 318.358 3.278 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1F)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236240210 1099493619 /nfs/dbraw/zinc/49/36/19/1099493619.db2.gz JQYUYIVVLAQIJE-WCQYABFASA-N 2 1 318.358 3.278 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCSc2ccccc2C1 ZINC001236241244 1099495787 /nfs/dbraw/zinc/49/57/87/1099495787.db2.gz RDPFTEBLHIWDME-JSGCOSHPSA-N 2 1 312.429 3.085 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCSc2ccccc2C1 ZINC001236241244 1099495794 /nfs/dbraw/zinc/49/57/94/1099495794.db2.gz RDPFTEBLHIWDME-JSGCOSHPSA-N 2 1 312.429 3.085 20 0 DGADMP CC[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1Cl ZINC001236265635 1099507533 /nfs/dbraw/zinc/50/75/33/1099507533.db2.gz IUSPBCJHZQZZQX-CQSZACIVSA-N 2 1 317.260 3.194 20 0 DGADMP Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1O ZINC001236300893 1099523705 /nfs/dbraw/zinc/52/37/05/1099523705.db2.gz PAOKCMPGQYKRKD-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1O ZINC001236300893 1099523717 /nfs/dbraw/zinc/52/37/17/1099523717.db2.gz PAOKCMPGQYKRKD-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CC3(F)CC[NH2+]CC3)C2)c1 ZINC001236304647 1099524833 /nfs/dbraw/zinc/52/48/33/1099524833.db2.gz MYGQVXBWBRGQFL-QGZVFWFLSA-N 2 1 320.452 3.041 20 0 DGADMP Clc1cccc2c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c21 ZINC001236317479 1099532547 /nfs/dbraw/zinc/53/25/47/1099532547.db2.gz YBNPFOJMAPQDKS-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236320221 1099533269 /nfs/dbraw/zinc/53/32/69/1099533269.db2.gz MXRFHJOHFYJMNM-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP Clc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)s1 ZINC001236319388 1099534362 /nfs/dbraw/zinc/53/43/62/1099534362.db2.gz AFHOQOXWWZBOGU-AOOOYVTPSA-N 2 1 305.274 3.486 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)n2)c1 ZINC001236320456 1099534418 /nfs/dbraw/zinc/53/44/18/1099534418.db2.gz HIAUQKXXDMPLNA-GASCZTMLSA-N 2 1 313.470 3.242 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236321285 1099534714 /nfs/dbraw/zinc/53/47/14/1099534714.db2.gz HNHICPGJEZQXMC-CALCHBBNSA-N 2 1 302.462 3.295 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001236337310 1099545719 /nfs/dbraw/zinc/54/57/19/1099545719.db2.gz ZXEQRGVVCTWADB-SJLPKXTDSA-N 2 1 302.462 3.264 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c1)OCC2 ZINC001236374999 1099559372 /nfs/dbraw/zinc/55/93/72/1099559372.db2.gz HQUXIRFZOOOLKM-MRXNPFEDSA-N 2 1 314.473 3.366 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c1)OCO2 ZINC001236373970 1099559695 /nfs/dbraw/zinc/55/96/95/1099559695.db2.gz ATNLIGJTTOIGQT-HNNXBMFYSA-N 2 1 316.445 3.160 20 0 DGADMP c1nc2cc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)ccc2[nH]1 ZINC001236374459 1099559977 /nfs/dbraw/zinc/55/99/77/1099559977.db2.gz ROXKDSAHZCBKMT-MRXNPFEDSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2ccc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cc2[nH]1 ZINC001236374459 1099559987 /nfs/dbraw/zinc/55/99/87/1099559987.db2.gz ROXKDSAHZCBKMT-MRXNPFEDSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2ccc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cc2[nH]1 ZINC001236374459 1099559998 /nfs/dbraw/zinc/55/99/98/1099559998.db2.gz ROXKDSAHZCBKMT-MRXNPFEDSA-N 2 1 312.461 3.307 20 0 DGADMP CN(C)c1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374080 1099562078 /nfs/dbraw/zinc/56/20/78/1099562078.db2.gz OWYXETKHYWLOGM-KRWDZBQOSA-N 2 1 315.505 3.497 20 0 DGADMP Nc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236376312 1099564760 /nfs/dbraw/zinc/56/47/60/1099564760.db2.gz RVYVAXACWHEWSR-OAHLLOKOSA-N 2 1 305.441 3.152 20 0 DGADMP CC[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236407155 1099580144 /nfs/dbraw/zinc/58/01/44/1099580144.db2.gz CEVKIPMZNKTOKW-LBPRGKRZSA-N 2 1 301.261 3.467 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C[C@H]1CC[NH2+]C1 ZINC001236407095 1099578470 /nfs/dbraw/zinc/57/84/70/1099578470.db2.gz BPSFBEUGSXCYJE-INIZCTEOSA-N 2 1 302.462 3.222 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236407056 1099579497 /nfs/dbraw/zinc/57/94/97/1099579497.db2.gz BDJNCPWROMDRFJ-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236408458 1099581560 /nfs/dbraw/zinc/58/15/60/1099581560.db2.gz MSWAJJFFAGPKTA-LBPRGKRZSA-N 2 1 320.330 3.156 20 0 DGADMP COc1ccc(C2=CC[N@H+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236410673 1099584486 /nfs/dbraw/zinc/58/44/86/1099584486.db2.gz IODXCZGPDWLVCC-GOSISDBHSA-N 2 1 300.446 3.317 20 0 DGADMP COc1ccc(C2=CC[N@@H+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236410673 1099584497 /nfs/dbraw/zinc/58/44/97/1099584497.db2.gz IODXCZGPDWLVCC-GOSISDBHSA-N 2 1 300.446 3.317 20 0 DGADMP Cc1ccc(N(C)c2ccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236411907 1099585687 /nfs/dbraw/zinc/58/56/87/1099585687.db2.gz HUFMTZCQRXOPMK-AERCQKQUSA-N 2 1 321.468 3.413 20 0 DGADMP Cc1ccc(N(C)c2ccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236411907 1099585696 /nfs/dbraw/zinc/58/56/96/1099585696.db2.gz HUFMTZCQRXOPMK-AERCQKQUSA-N 2 1 321.468 3.413 20 0 DGADMP C[N@@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413349 1099587358 /nfs/dbraw/zinc/58/73/58/1099587358.db2.gz ODLTVJXYWKKJIX-LFUKPOHLSA-N 2 1 317.436 3.485 20 0 DGADMP CCn1c2ccccc2c2cc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001236417187 1099590405 /nfs/dbraw/zinc/59/04/05/1099590405.db2.gz XCNATFTULPOYIT-WGMWDUQUSA-N 2 1 319.452 3.464 20 0 DGADMP CCn1c2ccccc2c2cc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001236417187 1099590416 /nfs/dbraw/zinc/59/04/16/1099590416.db2.gz XCNATFTULPOYIT-WGMWDUQUSA-N 2 1 319.452 3.464 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416677 1099591070 /nfs/dbraw/zinc/59/10/70/1099591070.db2.gz VUTFITSVHMIBMV-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416677 1099591082 /nfs/dbraw/zinc/59/10/82/1099591082.db2.gz VUTFITSVHMIBMV-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236433823 1099608934 /nfs/dbraw/zinc/60/89/34/1099608934.db2.gz MGNOMHXBBWMVJI-AWEZNQCLSA-N 2 1 302.340 3.461 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434353 1099610088 /nfs/dbraw/zinc/61/00/88/1099610088.db2.gz QZFIAAKOXCGFJG-AWEZNQCLSA-N 2 1 302.340 3.332 20 0 DGADMP COc1nc(C(C)C)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001236442831 1099615032 /nfs/dbraw/zinc/61/50/32/1099615032.db2.gz DAYXEVUBTXKRFH-UHFFFAOYSA-N 2 1 322.412 3.215 20 0 DGADMP Clc1cc2cccnc2c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000155833944 1099617258 /nfs/dbraw/zinc/61/72/58/1099617258.db2.gz VAGFDONOBLZWAK-CYBMUJFWSA-N 2 1 315.848 3.462 20 0 DGADMP OCCCCC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451745 1099620439 /nfs/dbraw/zinc/62/04/39/1099620439.db2.gz UJPGEHAYMGWYJQ-UHFFFAOYSA-N 2 1 310.869 3.057 20 0 DGADMP OCCCCC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451745 1099620444 /nfs/dbraw/zinc/62/04/44/1099620444.db2.gz UJPGEHAYMGWYJQ-UHFFFAOYSA-N 2 1 310.869 3.057 20 0 DGADMP CCOCC[N@H+](Cc1ccc(C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236462258 1099625341 /nfs/dbraw/zinc/62/53/41/1099625341.db2.gz VIFORLKNSULDNF-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236462258 1099625345 /nfs/dbraw/zinc/62/53/45/1099625345.db2.gz VIFORLKNSULDNF-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCOCC[N@H+](Cc1cc(C)c(F)c(C)c1)C1CC[NH2+]CC1 ZINC001236461805 1099625368 /nfs/dbraw/zinc/62/53/68/1099625368.db2.gz PNXCWNKICNCHOI-UHFFFAOYSA-N 2 1 308.441 3.033 20 0 DGADMP CCOCC[N@@H+](Cc1cc(C)c(F)c(C)c1)C1CC[NH2+]CC1 ZINC001236461805 1099625372 /nfs/dbraw/zinc/62/53/72/1099625372.db2.gz PNXCWNKICNCHOI-UHFFFAOYSA-N 2 1 308.441 3.033 20 0 DGADMP CCOCC[N@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236460965 1099625510 /nfs/dbraw/zinc/62/55/10/1099625510.db2.gz WJESYSBSLOKMQY-UHFFFAOYSA-N 2 1 314.832 3.070 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236460965 1099625516 /nfs/dbraw/zinc/62/55/16/1099625516.db2.gz WJESYSBSLOKMQY-UHFFFAOYSA-N 2 1 314.832 3.070 20 0 DGADMP CCOCC[N@H+](Cc1ccccc1SCC)C1CC[NH2+]CC1 ZINC001236465852 1099626649 /nfs/dbraw/zinc/62/66/49/1099626649.db2.gz TWVNIZQCEVAVPS-UHFFFAOYSA-N 2 1 322.518 3.389 20 0 DGADMP CCOCC[N@@H+](Cc1ccccc1SCC)C1CC[NH2+]CC1 ZINC001236465852 1099626656 /nfs/dbraw/zinc/62/66/56/1099626656.db2.gz TWVNIZQCEVAVPS-UHFFFAOYSA-N 2 1 322.518 3.389 20 0 DGADMP CC(C)C[N@H+](Cc1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]C1 ZINC001236477942 1099636656 /nfs/dbraw/zinc/63/66/56/1099636656.db2.gz VOEDZTVBWDJOIR-GOSISDBHSA-N 2 1 302.462 3.222 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]C1 ZINC001236477942 1099636658 /nfs/dbraw/zinc/63/66/58/1099636658.db2.gz VOEDZTVBWDJOIR-GOSISDBHSA-N 2 1 302.462 3.222 20 0 DGADMP CC(C)C[N@H+](Cc1ccc(-c2cnccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477876 1099637068 /nfs/dbraw/zinc/63/70/68/1099637068.db2.gz REVVEBYHLKRZCU-LJQANCHMSA-N 2 1 324.472 3.354 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc(-c2cnccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477876 1099637070 /nfs/dbraw/zinc/63/70/70/1099637070.db2.gz REVVEBYHLKRZCU-LJQANCHMSA-N 2 1 324.472 3.354 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc(N(C)C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551053 1099676956 /nfs/dbraw/zinc/67/69/56/1099676956.db2.gz KRQGZEHYEDSUDL-IYARVYRRSA-N 2 1 303.494 3.481 20 0 DGADMP CC(C)C[N@@H+](Cc1c(N)ccnc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552783 1099677179 /nfs/dbraw/zinc/67/71/79/1099677179.db2.gz ZKCCNWTXZUIMDY-JOCQHMNTSA-N 2 1 310.873 3.045 20 0 DGADMP COc1ccccc1CC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553064 1099677313 /nfs/dbraw/zinc/67/73/13/1099677313.db2.gz WFJOIJJTENNNLE-IYARVYRRSA-N 2 1 304.478 3.466 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236552786 1099677393 /nfs/dbraw/zinc/67/73/93/1099677393.db2.gz ZLWNNKTUAJMOSQ-IYARVYRRSA-N 2 1 318.461 3.201 20 0 DGADMP CCOc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236552290 1099677690 /nfs/dbraw/zinc/67/76/90/1099677690.db2.gz OVSIUPUXHQGPAQ-QAQDUYKDSA-N 2 1 305.466 3.208 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc3c2OCO3)C2CCCC2)CC1 ZINC001236572108 1099684979 /nfs/dbraw/zinc/68/49/79/1099684979.db2.gz SDTGUSFQZIRIDG-JCNLHEQBSA-N 2 1 316.445 3.430 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C2CCC2)CC1 ZINC001236573560 1099685129 /nfs/dbraw/zinc/68/51/29/1099685129.db2.gz ZQWKUKRNCHONOO-KOMQPUFPSA-N 3 1 319.518 3.018 20 0 DGADMP CCOc1ncccc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571990 1099685480 /nfs/dbraw/zinc/68/54/80/1099685480.db2.gz OZYKVTXUZGMRNR-SAABIXHNSA-N 2 1 317.477 3.495 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599100 1099695005 /nfs/dbraw/zinc/69/50/05/1099695005.db2.gz PPDBPVVRPATFTK-AWEZNQCLSA-N 2 1 310.388 3.252 20 0 DGADMP COc1ccc2oc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)cc2c1 ZINC001236599157 1099695914 /nfs/dbraw/zinc/69/59/14/1099695914.db2.gz RLYFHHRZLQJHQW-CQSZACIVSA-N 2 1 314.429 3.405 20 0 DGADMP Cc1c(Br)cccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001236609829 1099703082 /nfs/dbraw/zinc/70/30/82/1099703082.db2.gz ITRAKPXQMBCQRT-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Clc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236633335 1099715112 /nfs/dbraw/zinc/71/51/12/1099715112.db2.gz FXYXKRDGHIRUFT-UHFFFAOYSA-N 2 1 322.836 3.175 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cc(OC)ccc4s3)C[C@@H]2C1 ZINC001236660390 1099727717 /nfs/dbraw/zinc/72/77/17/1099727717.db2.gz VJCPDKWSLDLOFY-GASCZTMLSA-N 2 1 316.470 3.293 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cc(OC)ccc4s3)C[C@@H]2C1 ZINC001236660390 1099727722 /nfs/dbraw/zinc/72/77/22/1099727722.db2.gz VJCPDKWSLDLOFY-GASCZTMLSA-N 2 1 316.470 3.293 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4cc(OC)ccc4s3)C[C@@H]2C1 ZINC001236660390 1099727735 /nfs/dbraw/zinc/72/77/35/1099727735.db2.gz VJCPDKWSLDLOFY-GASCZTMLSA-N 2 1 316.470 3.293 20 0 DGADMP Cc1cccnc1O[C@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236663931 1099732893 /nfs/dbraw/zinc/73/28/93/1099732893.db2.gz MHEKCBVBVICTQT-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cccnc1O[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236663931 1099732902 /nfs/dbraw/zinc/73/29/02/1099732902.db2.gz MHEKCBVBVICTQT-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP CN1CCC([N@@H+](Cc2ccc(F)c(O)c2)C2CCCC2)CC1 ZINC001236712994 1099751811 /nfs/dbraw/zinc/75/18/11/1099751811.db2.gz KQKSBPGCYRFDKA-UHFFFAOYSA-N 2 1 306.425 3.370 20 0 DGADMP Cc1cccc(C[N@@H+](Cc2ccnc(N)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729926 1099760956 /nfs/dbraw/zinc/76/09/56/1099760956.db2.gz YMKIAAALCDHAGH-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP Nc1cccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236759359 1099771816 /nfs/dbraw/zinc/77/18/16/1099771816.db2.gz VLEZWASYNPTZDX-SAABIXHNSA-N 2 1 316.493 3.316 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(O)cn2)CC2CCCCC2)CC1 ZINC001236759249 1099771967 /nfs/dbraw/zinc/77/19/67/1099771967.db2.gz QWUOOMGALUQSAN-SAABIXHNSA-N 2 1 317.477 3.439 20 0 DGADMP CCC(CC)[N@@H+](Cc1cccc2nonc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781979 1099781442 /nfs/dbraw/zinc/78/14/42/1099781442.db2.gz DDKWLWRMCLVQCK-KOMQPUFPSA-N 2 1 316.449 3.483 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@@H]12 ZINC001236828365 1099812523 /nfs/dbraw/zinc/81/25/23/1099812523.db2.gz IJZXBQUMHQBRBT-CDHQVMDDSA-N 2 1 324.424 3.354 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001236829499 1099814308 /nfs/dbraw/zinc/81/43/08/1099814308.db2.gz KTWNAZJFSQBFEX-QEJZJMRPSA-N 2 1 314.351 3.063 20 0 DGADMP CCC[N@H+](Cc1cc(Br)cs1)C[C@@H]1CC[NH2+]C1 ZINC001236835333 1099820151 /nfs/dbraw/zinc/82/01/51/1099820151.db2.gz LMLMMAPMDOLTBP-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835336 1099821207 /nfs/dbraw/zinc/82/12/07/1099821207.db2.gz LMSCVTPZEWZLHX-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+](Cc1ccc(F)c(OC(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236843214 1099829850 /nfs/dbraw/zinc/82/98/50/1099829850.db2.gz FZNFBRIXWUDQJQ-INIZCTEOSA-N 2 1 308.441 3.434 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@](C)(F)CC3)c2)CC1 ZINC001236887134 1099850553 /nfs/dbraw/zinc/85/05/53/1099850553.db2.gz HMGWWHRGHMNRJV-IBGZPJMESA-N 2 1 319.468 3.153 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@@H]3c3ccccc3)c2)CC1 ZINC001236888272 1099853889 /nfs/dbraw/zinc/85/38/89/1099853889.db2.gz AMRJLVROXSJIAT-OAQYLSRUSA-N 2 1 321.468 3.385 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccoc43)C[C@@H]2C1 ZINC001236900880 1099862607 /nfs/dbraw/zinc/86/26/07/1099862607.db2.gz DWYFPAVLHDMXRV-GASCZTMLSA-N 2 1 302.393 3.346 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccoc43)C[C@@H]2C1 ZINC001236900880 1099862613 /nfs/dbraw/zinc/86/26/13/1099862613.db2.gz DWYFPAVLHDMXRV-GASCZTMLSA-N 2 1 302.393 3.346 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c4ccoc43)C[C@@H]2C1 ZINC001236900880 1099862618 /nfs/dbraw/zinc/86/26/18/1099862618.db2.gz DWYFPAVLHDMXRV-GASCZTMLSA-N 2 1 302.393 3.346 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c4ccoc43)C[C@@H]2C1 ZINC001236900880 1099862624 /nfs/dbraw/zinc/86/26/24/1099862624.db2.gz DWYFPAVLHDMXRV-GASCZTMLSA-N 2 1 302.393 3.346 20 0 DGADMP CO[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236914591 1099872946 /nfs/dbraw/zinc/87/29/46/1099872946.db2.gz YPYYGVFWFPPSFL-HNNXBMFYSA-N 2 1 305.809 3.137 20 0 DGADMP CO[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236914591 1099872954 /nfs/dbraw/zinc/87/29/54/1099872954.db2.gz YPYYGVFWFPPSFL-HNNXBMFYSA-N 2 1 305.809 3.137 20 0 DGADMP C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001236914102 1099873535 /nfs/dbraw/zinc/87/35/35/1099873535.db2.gz QEIODGRLJLNEAA-UONOGXRCSA-N 2 1 319.836 3.119 20 0 DGADMP COCC[N@@H+](Cc1ccc(-n2ccnc2)cc1Cl)C(C)C ZINC001236923088 1099879951 /nfs/dbraw/zinc/87/99/51/1099879951.db2.gz RKZAMWFWRYUVOC-UHFFFAOYSA-N 2 1 307.825 3.383 20 0 DGADMP COCCN(Cc1ccc(-n2ccnc2)cc1Cl)C(C)C ZINC001236923088 1099879956 /nfs/dbraw/zinc/87/99/56/1099879956.db2.gz RKZAMWFWRYUVOC-UHFFFAOYSA-N 2 1 307.825 3.383 20 0 DGADMP CCCCC[N@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236962292 1099893610 /nfs/dbraw/zinc/89/36/10/1099893610.db2.gz BCFPOJWCDBCRMA-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP Cc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000076400264 1099893662 /nfs/dbraw/zinc/89/36/62/1099893662.db2.gz PSSZKXULNYRZGR-UHFFFAOYSA-N 2 1 323.484 3.032 20 0 DGADMP CCCCC[N@@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236962292 1099893617 /nfs/dbraw/zinc/89/36/17/1099893617.db2.gz BCFPOJWCDBCRMA-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC(C)(C)C ZINC001236964814 1099894051 /nfs/dbraw/zinc/89/40/51/1099894051.db2.gz VQKLOJWPENOWER-UHFFFAOYSA-N 2 1 307.457 3.055 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC(C)(C)C ZINC001236964814 1099894056 /nfs/dbraw/zinc/89/40/56/1099894056.db2.gz VQKLOJWPENOWER-UHFFFAOYSA-N 2 1 307.457 3.055 20 0 DGADMP CC[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)C1CCN(C)CC1 ZINC001237095057 1099966732 /nfs/dbraw/zinc/96/67/32/1099966732.db2.gz HBPYPNOLFPTHET-UHFFFAOYSA-N 2 1 319.468 3.342 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237104495 1099973465 /nfs/dbraw/zinc/97/34/65/1099973465.db2.gz HMYCOZKEVFBRSF-IRXDYDNUSA-N 2 1 302.462 3.247 20 0 DGADMP Fc1ccc2c(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001237155821 1100004611 /nfs/dbraw/zinc/00/46/11/1100004611.db2.gz SPUXWKXLTURYIQ-MRXNPFEDSA-N 2 1 301.409 3.414 20 0 DGADMP Fc1ccc2c(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001237155821 1100004621 /nfs/dbraw/zinc/00/46/21/1100004621.db2.gz SPUXWKXLTURYIQ-MRXNPFEDSA-N 2 1 301.409 3.414 20 0 DGADMP COc1cc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237156463 1100006033 /nfs/dbraw/zinc/00/60/33/1100006033.db2.gz WGNKBKJCQZBPHL-KRWDZBQOSA-N 2 1 302.462 3.419 20 0 DGADMP COc1cc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237156463 1100006044 /nfs/dbraw/zinc/00/60/44/1100006044.db2.gz WGNKBKJCQZBPHL-KRWDZBQOSA-N 2 1 302.462 3.419 20 0 DGADMP C[C@H]1C(=O)CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C12CCCC2 ZINC001237192876 1100025341 /nfs/dbraw/zinc/02/53/41/1100025341.db2.gz ZPUWCKIZIOFQJC-ZDUSSCGKSA-N 2 1 318.486 3.118 20 0 DGADMP C[C@H]1C(=O)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C12CCCC2 ZINC001237192876 1100025351 /nfs/dbraw/zinc/02/53/51/1100025351.db2.gz ZPUWCKIZIOFQJC-ZDUSSCGKSA-N 2 1 318.486 3.118 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@@H]4C3)(C1)C2 ZINC001237230468 1100041927 /nfs/dbraw/zinc/04/19/27/1100041927.db2.gz GHOWDVWJNFJLNX-VFPGXZCRSA-N 2 1 317.864 3.195 20 0 DGADMP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCc2ccccc21 ZINC001237256926 1100049661 /nfs/dbraw/zinc/04/96/61/1100049661.db2.gz CSVTZVWWKPXRRC-OAQYLSRUSA-N 2 1 321.468 3.216 20 0 DGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](CCCc2ccncc2)CC1 ZINC001237275748 1100053601 /nfs/dbraw/zinc/05/36/01/1100053601.db2.gz PZFHJTBVSYLHFN-UHFFFAOYSA-N 2 1 321.468 3.151 20 0 DGADMP c1ccc(CC[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237274925 1100055390 /nfs/dbraw/zinc/05/53/90/1100055390.db2.gz HSLXPJCDNOMCDD-UHFFFAOYSA-N 2 1 306.453 3.366 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(OC(F)F)c(F)c1 ZINC001237357709 1100093450 /nfs/dbraw/zinc/09/34/50/1100093450.db2.gz DAMVHMKTYACOKE-UHFFFAOYSA-N 2 1 313.323 3.146 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2)nc1 ZINC001237405555 1100114255 /nfs/dbraw/zinc/11/42/55/1100114255.db2.gz RHGWXNZLPRQHJX-UYAOXDASSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412894 1100118014 /nfs/dbraw/zinc/11/80/14/1100118014.db2.gz HWOLNDOMAHUHQV-AZUAARDMSA-N 2 1 307.441 3.323 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)C[C@H]2C1 ZINC001237433162 1100125332 /nfs/dbraw/zinc/12/53/32/1100125332.db2.gz DFKBVBZJDZBHKZ-HZPDHXFCSA-N 2 1 313.420 3.148 20 0 DGADMP COc1c(C)cccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001237505763 1100151919 /nfs/dbraw/zinc/15/19/19/1100151919.db2.gz KZNDELFNHUZEOS-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP CCc1ncc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)s1 ZINC001237830534 1100262393 /nfs/dbraw/zinc/26/23/93/1100262393.db2.gz PEDLDHONPJCCCE-CQSZACIVSA-N 2 1 303.431 3.144 20 0 DGADMP CCc1ncc(CN2CCC[C@@H](Oc3ccncc3)C2)s1 ZINC001237830534 1100262397 /nfs/dbraw/zinc/26/23/97/1100262397.db2.gz PEDLDHONPJCCCE-CQSZACIVSA-N 2 1 303.431 3.144 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)cc21 ZINC001237876718 1100275198 /nfs/dbraw/zinc/27/51/98/1100275198.db2.gz HOHOAFMXYUCAFL-XYJFISCASA-N 2 1 300.421 3.478 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)cc21 ZINC001237876718 1100275205 /nfs/dbraw/zinc/27/52/05/1100275205.db2.gz HOHOAFMXYUCAFL-XYJFISCASA-N 2 1 300.421 3.478 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)cc21 ZINC001237877742 1100277790 /nfs/dbraw/zinc/27/77/90/1100277790.db2.gz BNUGHPGJLXJKKN-MJGOQNOKSA-N 2 1 324.468 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@@H]3CO)cc21 ZINC001237880507 1100278140 /nfs/dbraw/zinc/27/81/40/1100278140.db2.gz GPTWYGWPYIZJEU-QGZVFWFLSA-N 2 1 300.446 3.035 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3CO)cc21 ZINC001237880747 1100280580 /nfs/dbraw/zinc/28/05/80/1100280580.db2.gz JXXRTHNFMJLQQQ-BEFAXECRSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@](C)(O)[C@H](C)C3)cc21 ZINC001237880980 1100281027 /nfs/dbraw/zinc/28/10/27/1100281027.db2.gz LWTWNPAOCCWXHY-FOIQADDNSA-N 2 1 314.473 3.281 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCOCc3ccccc3)C2)C1 ZINC001278172743 1100314960 /nfs/dbraw/zinc/31/49/60/1100314960.db2.gz CKVVLJPVXSHZPE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCCOCc3ccccc3)C2)C1 ZINC001278172743 1100314967 /nfs/dbraw/zinc/31/49/67/1100314967.db2.gz CKVVLJPVXSHZPE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCOCc3ccccc3)C2)C1 ZINC001278172743 1100314972 /nfs/dbraw/zinc/31/49/72/1100314972.db2.gz CKVVLJPVXSHZPE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3[nH]nc4cc(Cl)ccc43)C2)CC1 ZINC001238000522 1100319670 /nfs/dbraw/zinc/31/96/70/1100319670.db2.gz KLQCBWMAWAIYMF-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205538460 1100324070 /nfs/dbraw/zinc/32/40/70/1100324070.db2.gz MEBJOUSQEWCKKE-NVXWUHKLSA-N 2 1 302.478 3.107 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205538462 1100325042 /nfs/dbraw/zinc/32/50/42/1100325042.db2.gz MEBJOUSQEWCKKE-RDJZCZTQSA-N 2 1 302.478 3.107 20 0 DGADMP Cc1ccc(O)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001238106284 1100362375 /nfs/dbraw/zinc/36/23/75/1100362375.db2.gz IOIDPTBFESVYAA-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccc(O)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001238106284 1100362387 /nfs/dbraw/zinc/36/23/87/1100362387.db2.gz IOIDPTBFESVYAA-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccc(O)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001238106284 1100362397 /nfs/dbraw/zinc/36/23/97/1100362397.db2.gz IOIDPTBFESVYAA-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccc(O)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001238106284 1100362407 /nfs/dbraw/zinc/36/24/07/1100362407.db2.gz IOIDPTBFESVYAA-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)cc1Cl ZINC001205545324 1100363577 /nfs/dbraw/zinc/36/35/77/1100363577.db2.gz DCELTDQZUIURBF-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc2c[nH+]cn21 ZINC001238114301 1100364393 /nfs/dbraw/zinc/36/43/93/1100364393.db2.gz RFKYERVCWUIQJA-QGZVFWFLSA-N 2 1 320.440 3.041 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc2c[nH+]cn21 ZINC001238112058 1100365152 /nfs/dbraw/zinc/36/51/52/1100365152.db2.gz AKAYRBAKNSOBEI-IRXDYDNUSA-N 3 1 312.461 3.173 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc2cncn21 ZINC001238112058 1100365158 /nfs/dbraw/zinc/36/51/58/1100365158.db2.gz AKAYRBAKNSOBEI-IRXDYDNUSA-N 3 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc2cncn21 ZINC001238112058 1100365163 /nfs/dbraw/zinc/36/51/63/1100365163.db2.gz AKAYRBAKNSOBEI-IRXDYDNUSA-N 3 1 312.461 3.173 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001205546422 1100377679 /nfs/dbraw/zinc/37/76/79/1100377679.db2.gz VFOKNXXMXQLBLN-OAHLLOKOSA-N 2 1 320.330 3.080 20 0 DGADMP FCCCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001278205323 1100400036 /nfs/dbraw/zinc/40/00/36/1100400036.db2.gz HWHLJZVWGYRRCX-UHFFFAOYSA-N 2 1 307.457 3.442 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238320548 1100415221 /nfs/dbraw/zinc/41/52/21/1100415221.db2.gz USTYQDYDKMSTRY-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC001238402800 1100434041 /nfs/dbraw/zinc/43/40/41/1100434041.db2.gz KVRDOQWCNHUKNX-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP CC1(C)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001191297655 1100445329 /nfs/dbraw/zinc/44/53/29/1100445329.db2.gz PSXCFCFXDXKPNK-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CC1(C)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001191297655 1100445332 /nfs/dbraw/zinc/44/53/32/1100445332.db2.gz PSXCFCFXDXKPNK-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CC1(C)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001191297655 1100445335 /nfs/dbraw/zinc/44/53/35/1100445335.db2.gz PSXCFCFXDXKPNK-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CC1(C)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001191297655 1100445338 /nfs/dbraw/zinc/44/53/38/1100445338.db2.gz PSXCFCFXDXKPNK-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP COc1cnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC001238495580 1100458601 /nfs/dbraw/zinc/45/86/01/1100458601.db2.gz YINGDSZCXWBUQL-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc(CC)c1O ZINC001205571961 1100529042 /nfs/dbraw/zinc/52/90/42/1100529042.db2.gz ZZOCAYOADUIPTN-GOSISDBHSA-N 2 1 308.441 3.170 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3ccc(C)cc3C)CC2)CC1 ZINC001203745750 1100534130 /nfs/dbraw/zinc/53/41/30/1100534130.db2.gz SNPJAEHCLFCEQP-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1([C@H]2CCCCO2)CCC1 ZINC001192348846 1100608419 /nfs/dbraw/zinc/60/84/19/1100608419.db2.gz MLOMHDWTABROAP-QGZVFWFLSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1([C@H]2CCCCO2)CCC1 ZINC001192348846 1100608423 /nfs/dbraw/zinc/60/84/23/1100608423.db2.gz MLOMHDWTABROAP-QGZVFWFLSA-N 2 1 305.466 3.253 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)cs2)CC[C@H]1C[NH3+] ZINC001205604709 1100653935 /nfs/dbraw/zinc/65/39/35/1100653935.db2.gz WAJMXXCGUBOWKG-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)ccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205618948 1100701696 /nfs/dbraw/zinc/70/16/96/1100701696.db2.gz ZNSNTGKXTRIINY-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP COc1c(F)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205626965 1100725854 /nfs/dbraw/zinc/72/58/54/1100725854.db2.gz LAGGTMMLZMVCHJ-AAEUAGOBSA-N 2 1 314.832 3.295 20 0 DGADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cncc(C[NH3+])c3)cc12 ZINC001239799125 1100758943 /nfs/dbraw/zinc/75/89/43/1100758943.db2.gz ZCTIEHYXEZTUAD-GOSISDBHSA-N 2 1 320.440 3.325 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205638121 1100765676 /nfs/dbraw/zinc/76/56/76/1100765676.db2.gz LMVMHKRMRBVJPJ-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP Fc1ccc2[nH]ccc2c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001240215799 1100898090 /nfs/dbraw/zinc/89/80/90/1100898090.db2.gz OSXUFLUKFOCRCY-UHFFFAOYSA-N 2 1 306.344 3.309 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3ccc4c(c3)[C@H]([NH3+])CC4)c2)CC1 ZINC001240304440 1100933053 /nfs/dbraw/zinc/93/30/53/1100933053.db2.gz BGHWCGVBVWAUMC-OAQYLSRUSA-N 2 1 321.468 3.047 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3ccc4c(c3)[C@@H]([NH3+])CC4)c2)CC1 ZINC001240304438 1100933264 /nfs/dbraw/zinc/93/32/64/1100933264.db2.gz BGHWCGVBVWAUMC-NRFANRHFSA-N 2 1 321.468 3.047 20 0 DGADMP c1ccc(C[N@H+]2CCC=C(c3cnc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001240388865 1100973094 /nfs/dbraw/zinc/97/30/94/1100973094.db2.gz VLKZSTHUGKTBFL-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP CC(C)N(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001195427379 1101139772 /nfs/dbraw/zinc/13/97/72/1101139772.db2.gz RPUKCSWEAOYCQH-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP [NH3+]CCc1ccccc1-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001240861904 1101162897 /nfs/dbraw/zinc/16/28/97/1101162897.db2.gz YRSYFOYIOZBQCC-UHFFFAOYSA-N 2 1 322.452 3.176 20 0 DGADMP C[N@@H+]1CC=C(c2nccc3c2CC[NH+](Cc2ccccc2)C3)CC1 ZINC001241310341 1101367831 /nfs/dbraw/zinc/36/78/31/1101367831.db2.gz BCDRZDFAIJLLRD-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[NH+]1CC=C(c2nccc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001241310341 1101367846 /nfs/dbraw/zinc/36/78/46/1101367846.db2.gz BCDRZDFAIJLLRD-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[NH+]1CC=C(c2nccc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001241310341 1101367850 /nfs/dbraw/zinc/36/78/50/1101367850.db2.gz BCDRZDFAIJLLRD-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[N@@H+]1CC=C(c2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)CC1 ZINC001241317400 1101373465 /nfs/dbraw/zinc/37/34/65/1101373465.db2.gz NIRHSQQGMPWKKK-UHFFFAOYSA-N 2 1 323.362 3.196 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC001137047974 1101493516 /nfs/dbraw/zinc/49/35/16/1101493516.db2.gz XCDMBQMJFWMFDT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137047974 1101493525 /nfs/dbraw/zinc/49/35/25/1101493525.db2.gz XCDMBQMJFWMFDT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137047974 1101493532 /nfs/dbraw/zinc/49/35/32/1101493532.db2.gz XCDMBQMJFWMFDT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC001137047974 1101493539 /nfs/dbraw/zinc/49/35/39/1101493539.db2.gz XCDMBQMJFWMFDT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC001137047974 1101493547 /nfs/dbraw/zinc/49/35/47/1101493547.db2.gz XCDMBQMJFWMFDT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137047974 1101493557 /nfs/dbraw/zinc/49/35/57/1101493557.db2.gz XCDMBQMJFWMFDT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137047974 1101493565 /nfs/dbraw/zinc/49/35/65/1101493565.db2.gz XCDMBQMJFWMFDT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC=C(c2ccc3ncn([C@H]4CCC[NH2+]CC4)c3c2)C1 ZINC001241570201 1101554384 /nfs/dbraw/zinc/55/43/84/1101554384.db2.gz WXGHXKHWCVHYCS-KRWDZBQOSA-N 2 1 310.445 3.070 20 0 DGADMP c1ccc(C[NH+]2CCC[N@@H+](CCCC3CC3)CCOCC2)cc1 ZINC001198140330 1101761205 /nfs/dbraw/zinc/76/12/05/1101761205.db2.gz FHPGSRLFZWGXBL-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[NH+]2CCC[N@H+](CCCC3CC3)CCOCC2)cc1 ZINC001198140330 1101761213 /nfs/dbraw/zinc/76/12/13/1101761213.db2.gz FHPGSRLFZWGXBL-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[N@H+]2CCC[NH+](CCCC3CC3)CCOCC2)cc1 ZINC001198140330 1101761220 /nfs/dbraw/zinc/76/12/20/1101761220.db2.gz FHPGSRLFZWGXBL-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[N@@H+]2CCC[NH+](CCCC3CC3)CCOCC2)cc1 ZINC001198140330 1101761227 /nfs/dbraw/zinc/76/12/27/1101761227.db2.gz FHPGSRLFZWGXBL-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP [NH3+]C1(c2cccc(-c3ccccc3C[NH+]3CCOCC3)c2)CC1 ZINC001241993316 1101842879 /nfs/dbraw/zinc/84/28/79/1101842879.db2.gz HSIXRMIXHSRFOL-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)c(C)c2)CC1 ZINC001242021676 1101863683 /nfs/dbraw/zinc/86/36/83/1101863683.db2.gz FVTCFLMTLLTWRD-MOPGFXCFSA-N 2 1 309.457 3.407 20 0 DGADMP C[NH+](C)CCOc1ccc(-c2ccc3c(c2)CC[N@H+](C)C3)cc1 ZINC001242151092 1101942163 /nfs/dbraw/zinc/94/21/63/1101942163.db2.gz WJUKTLMPTIFJCG-UHFFFAOYSA-N 2 1 310.441 3.282 20 0 DGADMP CC(C)C[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199144670 1102069896 /nfs/dbraw/zinc/06/98/96/1102069896.db2.gz UTMVDLNCHJFTPT-RLLQIKCJSA-N 2 1 317.521 3.073 20 0 DGADMP CC(C)C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199144670 1102069911 /nfs/dbraw/zinc/06/99/11/1102069911.db2.gz UTMVDLNCHJFTPT-RLLQIKCJSA-N 2 1 317.521 3.073 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccccc1C(F)(F)F ZINC001205902027 1102402717 /nfs/dbraw/zinc/40/27/17/1102402717.db2.gz GZLUEBYOVKDTOJ-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC001200972513 1102451149 /nfs/dbraw/zinc/45/11/49/1102451149.db2.gz ZCWPOJSIRBTMML-UHFFFAOYSA-N 2 1 304.478 3.282 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Br ZINC001205916640 1102578894 /nfs/dbraw/zinc/57/88/94/1102578894.db2.gz VEEXXUWLXDMORC-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Br ZINC001205916640 1102578901 /nfs/dbraw/zinc/57/89/01/1102578901.db2.gz VEEXXUWLXDMORC-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)CCC=C(C)C ZINC001201489738 1102610410 /nfs/dbraw/zinc/61/04/10/1102610410.db2.gz FNOAJHZXGMBDFC-KRWDZBQOSA-N 2 1 312.498 3.186 20 0 DGADMP OCc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001201474028 1102624922 /nfs/dbraw/zinc/62/49/22/1102624922.db2.gz AHFIDTYOTZBKPL-UXHICEINSA-N 2 1 321.424 3.307 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201543269 1102631198 /nfs/dbraw/zinc/63/11/98/1102631198.db2.gz OPDIFJGTFMFWBT-SJORKVTESA-N 2 1 324.509 3.162 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[NH+](CCc4ccccc4)C[C@@H]3C2)c1 ZINC001201597292 1102648936 /nfs/dbraw/zinc/64/89/36/1102648936.db2.gz ULXNRYNUCCQDAP-QZTJIDSGSA-N 2 1 312.482 3.354 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3nsnc32)C1 ZINC001201559157 1102650912 /nfs/dbraw/zinc/65/09/12/1102650912.db2.gz WJCCXBVQMIEWPT-AWEZNQCLSA-N 2 1 318.490 3.149 20 0 DGADMP FC(F)Oc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001243358057 1102680576 /nfs/dbraw/zinc/68/05/76/1102680576.db2.gz QCZNMHGZYDDPFS-UHFFFAOYSA-N 2 1 315.323 3.290 20 0 DGADMP CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201709764 1102695902 /nfs/dbraw/zinc/69/59/02/1102695902.db2.gz CUVBNUZPAMTNJX-UHFFFAOYSA-N 2 1 302.462 3.154 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccncc2Cl)CC1 ZINC001243388317 1102698703 /nfs/dbraw/zinc/69/87/03/1102698703.db2.gz MYMUIUXYJKSJDB-UHFFFAOYSA-N 2 1 301.821 3.325 20 0 DGADMP CC(C)n1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC001201946463 1102767604 /nfs/dbraw/zinc/76/76/04/1102767604.db2.gz DOCXSTDIXSWJOU-NVXWUHKLSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC001201946463 1102767613 /nfs/dbraw/zinc/76/76/13/1102767613.db2.gz DOCXSTDIXSWJOU-NVXWUHKLSA-N 2 1 304.482 3.207 20 0 DGADMP FC(F)(F)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202356019 1102955758 /nfs/dbraw/zinc/95/57/58/1102955758.db2.gz HZSFQSKOPSJSAX-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202356019 1102955769 /nfs/dbraw/zinc/95/57/69/1102955769.db2.gz HZSFQSKOPSJSAX-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC001325720143 1103109014 /nfs/dbraw/zinc/10/90/14/1103109014.db2.gz CCNOFXKDBFMPJQ-ZWNOBZJWSA-N 2 1 301.356 3.065 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC001325720139 1103110188 /nfs/dbraw/zinc/11/01/88/1103110188.db2.gz CCNOFXKDBFMPJQ-GWCFXTLKSA-N 2 1 301.356 3.065 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CC/C=C/c2cncc(OC)c2)CC1 ZINC001326004124 1103180706 /nfs/dbraw/zinc/18/07/06/1103180706.db2.gz BICXLTILYRYEQU-SOFGYWHQSA-N 2 1 317.477 3.300 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC001326230412 1103241087 /nfs/dbraw/zinc/24/10/87/1103241087.db2.gz CMWJYFKWTPZTNH-HNNXBMFYSA-N 2 1 324.538 3.247 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC001326230412 1103241096 /nfs/dbraw/zinc/24/10/96/1103241096.db2.gz CMWJYFKWTPZTNH-HNNXBMFYSA-N 2 1 324.538 3.247 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000097465631 1103363350 /nfs/dbraw/zinc/36/33/50/1103363350.db2.gz WYTTYPVWQWEKLQ-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)ccc(Cl)c3F)C[C@H]2CC1 ZINC001276363460 1103540949 /nfs/dbraw/zinc/54/09/49/1103540949.db2.gz ISMFGYWWWAWOAB-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)ccc(Cl)c3F)C[C@H]2CC1 ZINC001276363460 1103540958 /nfs/dbraw/zinc/54/09/58/1103540958.db2.gz ISMFGYWWWAWOAB-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)ccc(Cl)c3F)C[C@H]2CC1 ZINC001276363460 1103540965 /nfs/dbraw/zinc/54/09/65/1103540965.db2.gz ISMFGYWWWAWOAB-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP c1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001327206239 1103584423 /nfs/dbraw/zinc/58/44/23/1103584423.db2.gz NIFCQHXPKGNQCA-CVEARBPZSA-N 2 1 312.461 3.132 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001327532878 1103675381 /nfs/dbraw/zinc/67/53/81/1103675381.db2.gz KZWQJUQFYUWUKY-SFHVURJKSA-N 2 1 312.461 3.110 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC001327532878 1103675405 /nfs/dbraw/zinc/67/54/05/1103675405.db2.gz KZWQJUQFYUWUKY-SFHVURJKSA-N 2 1 312.461 3.110 20 0 DGADMP COc1cccc2c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276378565 1103700384 /nfs/dbraw/zinc/70/03/84/1103700384.db2.gz VXTZCUORYXLDFY-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276378565 1103700397 /nfs/dbraw/zinc/70/03/97/1103700397.db2.gz VXTZCUORYXLDFY-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c[nH]c21 ZINC001276378565 1103700405 /nfs/dbraw/zinc/70/04/05/1103700405.db2.gz VXTZCUORYXLDFY-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2c(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)c[nH]c21 ZINC001276378565 1103700416 /nfs/dbraw/zinc/70/04/16/1103700416.db2.gz VXTZCUORYXLDFY-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP Fc1ccc(CC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC001328345145 1103917966 /nfs/dbraw/zinc/91/79/66/1103917966.db2.gz CCBKZFNVWIHBLJ-OAHLLOKOSA-N 2 1 308.416 3.219 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cn12 ZINC001245349542 1103999067 /nfs/dbraw/zinc/99/90/67/1103999067.db2.gz GPYJVYKKFVMOGQ-SFHVURJKSA-N 3 1 318.424 3.113 20 0 DGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1 ZINC001154070317 1104046997 /nfs/dbraw/zinc/04/69/97/1104046997.db2.gz YJEFROFDEUMDIE-MRXNPFEDSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070317 1104047008 /nfs/dbraw/zinc/04/70/08/1104047008.db2.gz YJEFROFDEUMDIE-MRXNPFEDSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070317 1104047019 /nfs/dbraw/zinc/04/70/19/1104047019.db2.gz YJEFROFDEUMDIE-MRXNPFEDSA-N 2 1 323.525 3.044 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001328997118 1104118799 /nfs/dbraw/zinc/11/87/99/1104118799.db2.gz FIMCOJKWLVBCCB-UHFFFAOYSA-N 2 1 324.428 3.374 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(-c3ccncc3C[NH3+])c(C)c2)CC1 ZINC001245557437 1104122790 /nfs/dbraw/zinc/12/27/90/1104122790.db2.gz MDESMFLRRUTVHG-UHFFFAOYSA-N 2 1 308.429 3.020 20 0 DGADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)cc1 ZINC001202734220 1104167542 /nfs/dbraw/zinc/16/75/42/1104167542.db2.gz VNWFHHXFOLKJQV-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)C[C@@]1(O)CCC[NH2+]C1 ZINC001246034188 1104358054 /nfs/dbraw/zinc/35/80/54/1104358054.db2.gz JPSJLOILGGRNPL-GHTZIAJQSA-N 2 1 324.468 3.364 20 0 DGADMP CCC[C@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066522 1104365379 /nfs/dbraw/zinc/36/53/79/1104365379.db2.gz KLAMJUIDBZXYCN-FHWLQOOXSA-N 2 1 304.478 3.228 20 0 DGADMP Cc1cccc(C[N@@H+](C[C@@H](O)C(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246067981 1104365838 /nfs/dbraw/zinc/36/58/38/1104365838.db2.gz QSLOKZQWGCARJF-GUDVDZBRSA-N 2 1 318.505 3.474 20 0 DGADMP CC1(C)C[C@H](NCC2([NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001246074534 1104367775 /nfs/dbraw/zinc/36/77/75/1104367775.db2.gz DKJCVJRGJLWHBW-GOSISDBHSA-N 2 1 315.505 3.291 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC001246075725 1104368916 /nfs/dbraw/zinc/36/89/16/1104368916.db2.gz KRRRPHNVNUJSLP-VXGBXAGGSA-N 2 1 315.230 3.208 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001329732103 1104372658 /nfs/dbraw/zinc/37/26/58/1104372658.db2.gz SKAJOIJSIQLSNX-BZSNNMDCSA-N 2 1 304.478 3.207 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246080126 1104375177 /nfs/dbraw/zinc/37/51/77/1104375177.db2.gz MVIHRSHDASDIDH-PTEHBNRSSA-N 2 1 302.340 3.204 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCc2ccc(Br)cc2)C[NH2+]1 ZINC001246081776 1104376644 /nfs/dbraw/zinc/37/66/44/1104376644.db2.gz IDJAUHBMTBAARU-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097518 1104384492 /nfs/dbraw/zinc/38/44/92/1104384492.db2.gz ORDQUQYBUZRKQR-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097518 1104384504 /nfs/dbraw/zinc/38/45/04/1104384504.db2.gz ORDQUQYBUZRKQR-HOJAQTOUSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097518 1104384515 /nfs/dbraw/zinc/38/45/15/1104384515.db2.gz ORDQUQYBUZRKQR-HOJAQTOUSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246109227 1104390659 /nfs/dbraw/zinc/39/06/59/1104390659.db2.gz AGGITDRMOXLVHA-TYNCELHUSA-N 2 1 316.367 3.104 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[NH2+][C@@H]3C[NH2+]C[C@@H]3C)ccc2c1 ZINC001246115368 1104391510 /nfs/dbraw/zinc/39/15/10/1104391510.db2.gz HNOQMYTZPMZWCC-BXTJHSDWSA-N 2 1 312.457 3.367 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[NH2+]C1 ZINC001246115173 1104391708 /nfs/dbraw/zinc/39/17/08/1104391708.db2.gz REICHIORCRVTLD-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001246116528 1104395101 /nfs/dbraw/zinc/39/51/01/1104395101.db2.gz NHTXSTWKUCCETF-WMFXKJRFSA-N 2 1 302.796 3.137 20 0 DGADMP F[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246149312 1104406749 /nfs/dbraw/zinc/40/67/49/1104406749.db2.gz UGNSLDGOAOAHDO-WFASDCNBSA-N 2 1 317.235 3.142 20 0 DGADMP F[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246149306 1104407273 /nfs/dbraw/zinc/40/72/73/1104407273.db2.gz UGNSLDGOAOAHDO-DOMZBBRYSA-N 2 1 317.235 3.142 20 0 DGADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246149978 1104407607 /nfs/dbraw/zinc/40/76/07/1104407607.db2.gz DJLJMYBCOLKVEA-HOTGVXAUSA-N 2 1 310.482 3.140 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246160650 1104411505 /nfs/dbraw/zinc/41/15/05/1104411505.db2.gz VGMJICREYHMSHE-RYUDHWBXSA-N 2 1 304.331 3.465 20 0 DGADMP CC(C)(C)C1CCC([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)CC1 ZINC001246160698 1104412144 /nfs/dbraw/zinc/41/21/44/1104412144.db2.gz OSLTWCSTCJZDAV-BXNZUYAZSA-N 2 1 308.510 3.482 20 0 DGADMP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC001246168001 1104415954 /nfs/dbraw/zinc/41/59/54/1104415954.db2.gz HPWPINDYQKLTSA-UONOGXRCSA-N 2 1 323.278 3.038 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246178123 1104424642 /nfs/dbraw/zinc/42/46/42/1104424642.db2.gz NMNQOHJZBAFNTE-UXHICEINSA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCCN(C1CCCCC1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246178123 1104424652 /nfs/dbraw/zinc/42/46/52/1104424652.db2.gz NMNQOHJZBAFNTE-UXHICEINSA-N 2 1 315.505 3.463 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246182214 1104426158 /nfs/dbraw/zinc/42/61/58/1104426158.db2.gz YWIJONYOMVCFNZ-TZMCWYRMSA-N 2 1 316.367 3.248 20 0 DGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329923875 1104426278 /nfs/dbraw/zinc/42/62/78/1104426278.db2.gz QBTVWUKXULCXBV-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246183093 1104426331 /nfs/dbraw/zinc/42/63/31/1104426331.db2.gz DCTOBWCNRWOZJE-MOPGFXCFSA-N 2 1 303.494 3.191 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246183096 1104426453 /nfs/dbraw/zinc/42/64/53/1104426453.db2.gz DCTOBWCNRWOZJE-RTBURBONSA-N 2 1 303.494 3.191 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246184409 1104427957 /nfs/dbraw/zinc/42/79/57/1104427957.db2.gz KQYRVBTXMBTGLB-WOJBJXKFSA-N 2 1 317.521 3.061 20 0 DGADMP C[C@@]1([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CCC[NH2+]C1 ZINC001246190202 1104429388 /nfs/dbraw/zinc/42/93/88/1104429388.db2.gz QAPYKGZMPOGLKB-HZPDHXFCSA-N 2 1 323.278 3.038 20 0 DGADMP C[C@@]1([NH2+]C2CCN(c3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC001246190722 1104430640 /nfs/dbraw/zinc/43/06/40/1104430640.db2.gz RRJKNYQWIJVCNY-QGZVFWFLSA-N 2 1 307.869 3.041 20 0 DGADMP CC[C@H]1CC(NCC[N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246194211 1104431690 /nfs/dbraw/zinc/43/16/90/1104431690.db2.gz GNFLBFWTEMLPSN-ROUUACIJSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@@H]1CC([NH2+]C[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246198519 1104433989 /nfs/dbraw/zinc/43/39/89/1104433989.db2.gz QCNNUYLDCCMDPG-LMMKCTJWSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C[C@H]1C ZINC001246200977 1104435246 /nfs/dbraw/zinc/43/52/46/1104435246.db2.gz GEQSFCAIGHYWCJ-FPCVCCKLSA-N 2 1 312.498 3.240 20 0 DGADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001246203791 1104435742 /nfs/dbraw/zinc/43/57/42/1104435742.db2.gz VBVUCYQGKXORLR-CABCVRRESA-N 2 1 312.498 3.384 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F)CC2 ZINC001246219299 1104441948 /nfs/dbraw/zinc/44/19/48/1104441948.db2.gz GYPPXBZJAQUXQO-DLBZAZTESA-N 2 1 308.416 3.077 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246222355 1104445040 /nfs/dbraw/zinc/44/50/40/1104445040.db2.gz QTARRQIPWAPBBK-IUODEOHRSA-N 2 1 316.823 3.496 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246225624 1104446073 /nfs/dbraw/zinc/44/60/73/1104446073.db2.gz CRSHZZXHLSRVHO-SJORKVTESA-N 2 1 310.432 3.478 20 0 DGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246235569 1104450723 /nfs/dbraw/zinc/45/07/23/1104450723.db2.gz YUWLWPXPTNGEGU-UONOGXRCSA-N 2 1 314.445 3.310 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2C(F)(F)F)CC[NH2+]1 ZINC001246236358 1104450765 /nfs/dbraw/zinc/45/07/65/1104450765.db2.gz RLLXRIBNPGGXQO-QWHCGFSZSA-N 2 1 316.367 3.334 20 0 DGADMP C[C@@H]1C[C@H](NCC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243603 1104455871 /nfs/dbraw/zinc/45/58/71/1104455871.db2.gz JNQLOSRBZWSFDF-MISYRCLQSA-N 2 1 315.505 3.161 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246259374 1104462508 /nfs/dbraw/zinc/46/25/08/1104462508.db2.gz OJJGXPZGEBOFCR-HZMVEIRTSA-N 2 1 310.869 3.272 20 0 DGADMP CC(C)CC[C@H]([NH2+]C1CCC2(C[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246267284 1104466141 /nfs/dbraw/zinc/46/61/41/1104466141.db2.gz HTTUBOBUQFXPDK-INIZCTEOSA-N 2 1 324.509 3.255 20 0 DGADMP CCC[NH2+]CC[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001246269850 1104467232 /nfs/dbraw/zinc/46/72/32/1104467232.db2.gz LVUDVNGAGYKYOZ-CYBMUJFWSA-N 2 1 313.283 3.359 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246271726 1104467959 /nfs/dbraw/zinc/46/79/59/1104467959.db2.gz WYLNOGLKEXLQDM-KBXCAEBGSA-N 2 1 302.849 3.431 20 0 DGADMP [NH3+]CC1([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CCCC1 ZINC001246286439 1104473736 /nfs/dbraw/zinc/47/37/36/1104473736.db2.gz MARGKMYEDJEHSW-UHFFFAOYSA-N 2 1 316.445 3.016 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@]3(CO)CC[NH2+]C3)CC2)CC1 ZINC001246286975 1104475998 /nfs/dbraw/zinc/47/59/98/1104475998.db2.gz ITKUEFNHTLGKSS-XUVGJJBRSA-N 2 1 308.510 3.076 20 0 DGADMP CC(C)C[C@@H]([NH3+])CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246301615 1104478512 /nfs/dbraw/zinc/47/85/12/1104478512.db2.gz UAVHRFMWMNWCQQ-MOPGFXCFSA-N 2 1 303.494 3.004 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246311639 1104483697 /nfs/dbraw/zinc/48/36/97/1104483697.db2.gz QLXVTTPGGRPHQU-RBUKOAKNSA-N 2 1 317.521 3.393 20 0 DGADMP CCCCCC1CCC([NH2+][C@H](C(=O)OC)C2CC[NH2+]CC2)CC1 ZINC001246325492 1104489141 /nfs/dbraw/zinc/48/91/41/1104489141.db2.gz AKZRIGDOABBUQU-VJFUWPCTSA-N 2 1 324.509 3.256 20 0 DGADMP CCCCCC[C@H](CCCC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246325503 1104489434 /nfs/dbraw/zinc/48/94/34/1104489434.db2.gz ARFPLJQJVVGBCB-BBWFWOEESA-N 2 1 312.498 3.256 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246324419 1104489770 /nfs/dbraw/zinc/48/97/70/1104489770.db2.gz FETIUFKVZIRODO-UHOSZYNNSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326124 1104491077 /nfs/dbraw/zinc/49/10/77/1104491077.db2.gz NVNOUJPFWZBUOA-JMSVASOKSA-N 2 1 311.267 3.110 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000718057941 1104491747 /nfs/dbraw/zinc/49/17/47/1104491747.db2.gz ZEJCNIWTYQEKSI-QZTJIDSGSA-N 2 1 302.462 3.054 20 0 DGADMP CCC1CCC([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)(C(=O)OC)CC1 ZINC001246328160 1104492431 /nfs/dbraw/zinc/49/24/31/1104492431.db2.gz XQEUEVJZBQDTRP-KOHRHEQBSA-N 2 1 322.493 3.010 20 0 DGADMP CC1(C)CC[NH2+]C[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246330932 1104494176 /nfs/dbraw/zinc/49/41/76/1104494176.db2.gz MIHQDKZUOAMXKM-MOPGFXCFSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246331920 1104494547 /nfs/dbraw/zinc/49/45/47/1104494547.db2.gz OPPSDIIFAUHQJW-WNMQOVRZSA-N 2 1 313.272 3.438 20 0 DGADMP C[NH2+]C1CCC([NH2+]C2(c3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246337374 1104497359 /nfs/dbraw/zinc/49/73/59/1104497359.db2.gz SFGNLIQSTSTSSI-UHFFFAOYSA-N 2 1 321.896 3.039 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246347549 1104502677 /nfs/dbraw/zinc/50/26/77/1104502677.db2.gz UHECGRZAMSAMRR-RISCZKNCSA-N 2 1 313.283 3.343 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC001246353194 1104504203 /nfs/dbraw/zinc/50/42/03/1104504203.db2.gz YEGKLRPLOQUCJP-YXAMBPQSSA-N 2 1 311.256 3.333 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246355207 1104505976 /nfs/dbraw/zinc/50/59/76/1104505976.db2.gz XVKBXTDHSHIPKA-JMSVASOKSA-N 2 1 311.267 3.110 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246356524 1104506084 /nfs/dbraw/zinc/50/60/84/1104506084.db2.gz UAGQQNDSOJHMKC-HNNXBMFYSA-N 2 1 306.425 3.379 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246394829 1104524028 /nfs/dbraw/zinc/52/40/28/1104524028.db2.gz JXRIEGRZNYTIOG-RBUKOAKNSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC[NH2+]1 ZINC001246393894 1104524514 /nfs/dbraw/zinc/52/45/14/1104524514.db2.gz LGVQPKHKHUYCPH-YVLXSGLVSA-N 2 1 313.367 3.282 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246412531 1104533069 /nfs/dbraw/zinc/53/30/69/1104533069.db2.gz ZZAWJZURESELAQ-JQHSSLGASA-N 2 1 318.461 3.006 20 0 DGADMP CC(C)COCC[C@@H](C)[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246428265 1104535902 /nfs/dbraw/zinc/53/59/02/1104535902.db2.gz HJRZWQVOYWPNFE-MRXNPFEDSA-N 2 1 322.468 3.445 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC001330316107 1104537143 /nfs/dbraw/zinc/53/71/43/1104537143.db2.gz ORNZZVFUMHPJLD-HZPDHXFCSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(C(F)(F)F)cc1 ZINC001246437238 1104540287 /nfs/dbraw/zinc/54/02/87/1104540287.db2.gz UJUYQMMSOLUKMV-CQSZACIVSA-N 2 1 300.368 3.226 20 0 DGADMP Fc1ccccc1C1([NH2+]C2Cc3ccccc3C2)CC[NH2+]CC1 ZINC001246437411 1104540928 /nfs/dbraw/zinc/54/09/28/1104540928.db2.gz NOADWVUYKQLCAP-UHFFFAOYSA-N 2 1 310.416 3.161 20 0 DGADMP CC[C@@]1(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC001246457207 1104545278 /nfs/dbraw/zinc/54/52/78/1104545278.db2.gz DDQNCXSZJOOBLO-PIKOESSRSA-N 2 1 315.505 3.160 20 0 DGADMP CCC[C@@]1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC[NH2+]1 ZINC001246456880 1104545976 /nfs/dbraw/zinc/54/59/76/1104545976.db2.gz PBKYASXKDXSQII-SJCJKPOMSA-N 2 1 312.379 3.083 20 0 DGADMP CCC[C@@]1(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246462403 1104549594 /nfs/dbraw/zinc/54/95/94/1104549594.db2.gz RCKDXMPUKWCEHO-UXHICEINSA-N 2 1 315.505 3.163 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274943784 1104549909 /nfs/dbraw/zinc/54/99/09/1104549909.db2.gz ZYWBSXXLKAACCH-UHFFFAOYSA-N 2 1 319.493 3.118 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)CN1 ZINC001246470716 1104553080 /nfs/dbraw/zinc/55/30/80/1104553080.db2.gz OUKPOLBIMLNCAV-RDJZCZTQSA-N 2 1 311.429 3.147 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C[NH2+]1 ZINC001246470716 1104553090 /nfs/dbraw/zinc/55/30/90/1104553090.db2.gz OUKPOLBIMLNCAV-RDJZCZTQSA-N 2 1 311.429 3.147 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCN4)CC[NH2+]2)cc1 ZINC001246475738 1104557699 /nfs/dbraw/zinc/55/76/99/1104557699.db2.gz VSVVIGHQXLMLAE-UYAOXDASSA-N 2 1 307.441 3.238 20 0 DGADMP [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246479461 1104559163 /nfs/dbraw/zinc/55/91/63/1104559163.db2.gz VJUFSZMRNCPKQG-IVDHNXQLSA-N 2 1 313.489 3.042 20 0 DGADMP CCCC(CCC)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246506095 1104570148 /nfs/dbraw/zinc/57/01/48/1104570148.db2.gz UVLYZXSLKRQDGX-HNNXBMFYSA-N 2 1 300.487 3.384 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)CN1 ZINC001246511805 1104571036 /nfs/dbraw/zinc/57/10/36/1104571036.db2.gz CVQKZKLFTALWGU-SDJAHQOYSA-N 2 1 309.251 3.035 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246523535 1104578285 /nfs/dbraw/zinc/57/82/85/1104578285.db2.gz NJNRCZSQKMVEOU-QGZVFWFLSA-N 2 1 314.473 3.018 20 0 DGADMP C[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001246535093 1104582280 /nfs/dbraw/zinc/58/22/80/1104582280.db2.gz VRBATFAPDXYGHW-AOIWGVFYSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246539463 1104583790 /nfs/dbraw/zinc/58/37/90/1104583790.db2.gz PTRMUBUVNLYXGU-QZTJIDSGSA-N 2 1 319.468 3.114 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246541029 1104586666 /nfs/dbraw/zinc/58/66/66/1104586666.db2.gz XXWWZNVQEUTYKD-XEMDLRDOSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246541029 1104586675 /nfs/dbraw/zinc/58/66/75/1104586675.db2.gz XXWWZNVQEUTYKD-XEMDLRDOSA-N 2 1 315.505 3.099 20 0 DGADMP COc1cccc2c1C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC001246546481 1104588086 /nfs/dbraw/zinc/58/80/86/1104588086.db2.gz KHDFNBDOBZRHMD-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP CC[C@H]1CC([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H](CC)[NH2+]1 ZINC001246548799 1104588795 /nfs/dbraw/zinc/58/87/95/1104588795.db2.gz OJHLILATDLNGNU-HOTGVXAUSA-N 2 1 318.461 3.199 20 0 DGADMP CC[C@H]1CC([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H](CC)[NH2+]1 ZINC001246548799 1104588800 /nfs/dbraw/zinc/58/88/00/1104588800.db2.gz OJHLILATDLNGNU-HOTGVXAUSA-N 2 1 318.461 3.199 20 0 DGADMP c1n[nH]cc1CN1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001275038591 1104589723 /nfs/dbraw/zinc/58/97/23/1104589723.db2.gz DRJQFYIOWCJREK-LJQANCHMSA-N 2 1 316.493 3.278 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001275041160 1104591421 /nfs/dbraw/zinc/59/14/21/1104591421.db2.gz ZPPTWWMSSILKNE-UHFFFAOYSA-N 2 1 309.457 3.395 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549533 1104591703 /nfs/dbraw/zinc/59/17/03/1104591703.db2.gz LDEYKZOAZQYVQJ-ZWKOTPCHSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549533 1104591709 /nfs/dbraw/zinc/59/17/09/1104591709.db2.gz LDEYKZOAZQYVQJ-ZWKOTPCHSA-N 2 1 302.462 3.364 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001246556278 1104593146 /nfs/dbraw/zinc/59/31/46/1104593146.db2.gz YVVYDINCAMZBIM-SJCJKPOMSA-N 2 1 312.379 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1(F)F ZINC001246554988 1104593551 /nfs/dbraw/zinc/59/35/51/1104593551.db2.gz AGQPSUWDUDXMSN-MXWKQRLJSA-N 2 1 300.315 3.023 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001275054663 1104594178 /nfs/dbraw/zinc/59/41/78/1104594178.db2.gz DMIKIHPBRVUBGA-KRWDZBQOSA-N 2 1 307.507 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001275054663 1104594185 /nfs/dbraw/zinc/59/41/85/1104594185.db2.gz DMIKIHPBRVUBGA-KRWDZBQOSA-N 2 1 307.507 3.395 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001275054663 1104594191 /nfs/dbraw/zinc/59/41/91/1104594191.db2.gz DMIKIHPBRVUBGA-KRWDZBQOSA-N 2 1 307.507 3.395 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001275054663 1104594196 /nfs/dbraw/zinc/59/41/96/1104594196.db2.gz DMIKIHPBRVUBGA-KRWDZBQOSA-N 2 1 307.507 3.395 20 0 DGADMP CC1(C)C[C@H](N2CCCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246558663 1104595528 /nfs/dbraw/zinc/59/55/28/1104595528.db2.gz LHHFOAKUOLCCHQ-RTBURBONSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC[C@@H]1C[NH3+] ZINC001246561494 1104596273 /nfs/dbraw/zinc/59/62/73/1104596273.db2.gz TZVQYAAYCMBERJ-XPKDYRNWSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC001246563245 1104597179 /nfs/dbraw/zinc/59/71/79/1104597179.db2.gz PRBINUYFLGXZAC-HPUSYDDDSA-N 2 1 315.505 3.097 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)CC[C@@H]1F ZINC001246570299 1104599627 /nfs/dbraw/zinc/59/96/27/1104599627.db2.gz OZOGOWQBMCFXLI-DQVOVIAYSA-N 2 1 306.425 3.138 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)CC[C@@H]1F ZINC001246570299 1104599636 /nfs/dbraw/zinc/59/96/36/1104599636.db2.gz OZOGOWQBMCFXLI-DQVOVIAYSA-N 2 1 306.425 3.138 20 0 DGADMP C[C@H]1C[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CCC[C@H]1C[NH3+] ZINC001246569710 1104599996 /nfs/dbraw/zinc/59/99/96/1104599996.db2.gz SCLCPTZSMSYMIQ-HOTGVXAUSA-N 2 1 324.509 3.005 20 0 DGADMP C[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001246567124 1104600460 /nfs/dbraw/zinc/60/04/60/1104600460.db2.gz VAGRFRNVBVHLAT-QRQLOZEOSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001246578836 1104603566 /nfs/dbraw/zinc/60/35/66/1104603566.db2.gz CSMVACDCMOODBH-GBESFXJTSA-N 2 1 302.462 3.358 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001246577350 1104603799 /nfs/dbraw/zinc/60/37/99/1104603799.db2.gz OWNAXFPIJTXSRF-QYZOEREBSA-N 2 1 302.462 3.358 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246581633 1104604783 /nfs/dbraw/zinc/60/47/83/1104604783.db2.gz ZLVWIXVWLKUBOC-QAPCUYQASA-N 2 1 308.416 3.273 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001246579980 1104604829 /nfs/dbraw/zinc/60/48/29/1104604829.db2.gz DTMSPVINNLLDHD-WCQYABFASA-N 2 1 312.379 3.022 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(OCc3ccccc3)CC2)CC[C@@H]1F ZINC001246590675 1104608615 /nfs/dbraw/zinc/60/86/15/1104608615.db2.gz UZJUUEVTOXZQHE-WZOJCFFYSA-N 2 1 320.452 3.276 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)CC[C@@H]1F ZINC001246590675 1104608621 /nfs/dbraw/zinc/60/86/21/1104608621.db2.gz UZJUUEVTOXZQHE-WZOJCFFYSA-N 2 1 320.452 3.276 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C(=O)OCC)C2)CC[NH2+]1 ZINC001246591850 1104610773 /nfs/dbraw/zinc/61/07/73/1104610773.db2.gz ODECMAHRAWTNRN-ZHALLVOQSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001246593464 1104612318 /nfs/dbraw/zinc/61/23/18/1104612318.db2.gz HZSDHGWMZZFEOH-CHWSQXEVSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001246593464 1104612323 /nfs/dbraw/zinc/61/23/23/1104612323.db2.gz HZSDHGWMZZFEOH-CHWSQXEVSA-N 2 1 316.367 3.200 20 0 DGADMP C1C[C@@H]2C[C@H]([NH+]3CCCC4(CCCC[NH2+]C4)CCC3)C[C@H](C1)[NH2+]2 ZINC001246594752 1104612790 /nfs/dbraw/zinc/61/27/90/1104612790.db2.gz LGAWKUCSRLXCHT-BWTSREIZSA-N 3 1 319.537 3.295 20 0 DGADMP C1C[C@@H]2C[C@@H]([NH+]3CCCC4(CCCC[NH2+]C4)CCC3)C[C@H](C1)[NH2+]2 ZINC001246594755 1104613155 /nfs/dbraw/zinc/61/31/55/1104613155.db2.gz LGAWKUCSRLXCHT-REPLKXPHSA-N 3 1 319.537 3.295 20 0 DGADMP c1ccc(C[N@@H+](C2CCCCC2)[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246594127 1104613163 /nfs/dbraw/zinc/61/31/63/1104613163.db2.gz CYZYAEJHGJPYGM-IBGZPJMESA-N 2 1 314.473 3.342 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275077056 1104613528 /nfs/dbraw/zinc/61/35/28/1104613528.db2.gz LUGVMYHGNCBPCV-SFHVURJKSA-N 2 1 309.542 3.162 20 0 DGADMP COc1cccc(C[C@H](C)[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001246595959 1104614829 /nfs/dbraw/zinc/61/48/29/1104614829.db2.gz UHWJAXDEZFJJKE-WMZOPIPTSA-N 2 1 304.478 3.479 20 0 DGADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H](C)CCCC(C)C)CC[NH2+]CC2 ZINC001246600039 1104616030 /nfs/dbraw/zinc/61/60/30/1104616030.db2.gz FDICOESOQCHRRA-DLBZAZTESA-N 2 1 324.509 3.208 20 0 DGADMP C1CC2(C[C@H]1[N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246600103 1104616638 /nfs/dbraw/zinc/61/66/38/1104616638.db2.gz CUAZYEWFBUDMFY-ICSRJNTNSA-N 3 1 319.537 3.155 20 0 DGADMP CCCCCC[C@@H](C)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246598714 1104616701 /nfs/dbraw/zinc/61/67/01/1104616701.db2.gz BALCROWBBKUYRN-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246604173 1104619731 /nfs/dbraw/zinc/61/97/31/1104619731.db2.gz GZTGUZYZVDFNKF-APWZRJJASA-N 2 1 320.427 3.430 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246602891 1104619945 /nfs/dbraw/zinc/61/99/45/1104619945.db2.gz DJPGLEIAHQFGHP-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246605382 1104622195 /nfs/dbraw/zinc/62/21/95/1104622195.db2.gz POBJLJWZGZJNIF-HKUYNNGSSA-N 2 1 324.509 3.354 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@]34CCC[NH2+]C4)CCO2)cc1 ZINC001246605073 1104622869 /nfs/dbraw/zinc/62/28/69/1104622869.db2.gz AEXDLBVSMZNZQV-CEXWTWQISA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]CC3)CS2 ZINC001246606044 1104622977 /nfs/dbraw/zinc/62/29/77/1104622977.db2.gz LTQLXUARPANLQM-FUHWJXTLSA-N 2 1 302.487 3.312 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]CC3)CO2 ZINC001246607937 1104623904 /nfs/dbraw/zinc/62/39/04/1104623904.db2.gz RYDXVVDRLINAEW-AEFFLSMTSA-N 2 1 320.864 3.252 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CO2 ZINC001246607937 1104623909 /nfs/dbraw/zinc/62/39/09/1104623909.db2.gz RYDXVVDRLINAEW-AEFFLSMTSA-N 2 1 320.864 3.252 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611414 1104625879 /nfs/dbraw/zinc/62/58/79/1104625879.db2.gz UPTPOUIHMFJEAA-NMLBUPMWSA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611414 1104625883 /nfs/dbraw/zinc/62/58/83/1104625883.db2.gz UPTPOUIHMFJEAA-NMLBUPMWSA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611414 1104625889 /nfs/dbraw/zinc/62/58/89/1104625889.db2.gz UPTPOUIHMFJEAA-NMLBUPMWSA-N 3 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611414 1104625893 /nfs/dbraw/zinc/62/58/93/1104625893.db2.gz UPTPOUIHMFJEAA-NMLBUPMWSA-N 2 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611414 1104625899 /nfs/dbraw/zinc/62/58/99/1104625899.db2.gz UPTPOUIHMFJEAA-NMLBUPMWSA-N 2 1 319.537 3.248 20 0 DGADMP c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CS2 ZINC001246612271 1104626500 /nfs/dbraw/zinc/62/65/00/1104626500.db2.gz QMZVVCQCJLCYDE-MRXNPFEDSA-N 2 1 302.487 3.312 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610834 1104626638 /nfs/dbraw/zinc/62/66/38/1104626638.db2.gz OEWRVWJYMNVVNG-QZTJIDSGSA-N 2 1 304.865 3.273 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610834 1104626643 /nfs/dbraw/zinc/62/66/43/1104626643.db2.gz OEWRVWJYMNVVNG-QZTJIDSGSA-N 2 1 304.865 3.273 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246610924 1104626915 /nfs/dbraw/zinc/62/69/15/1104626915.db2.gz SMCFRCCMXBOSTH-RHSMWYFYSA-N 2 1 308.466 3.382 20 0 DGADMP C1CCC2(CC1)CCC[C@H]([N@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246614442 1104628185 /nfs/dbraw/zinc/62/81/85/1104628185.db2.gz BAIWJUULIVQTRV-PKOBYXMFSA-N 2 1 306.494 3.334 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246617288 1104631336 /nfs/dbraw/zinc/63/13/36/1104631336.db2.gz ILCJESGOECOHGP-ZDUSSCGKSA-N 2 1 323.278 3.066 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246619909 1104631426 /nfs/dbraw/zinc/63/14/26/1104631426.db2.gz MQNGRNYXVCIRJP-WOJBJXKFSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246619909 1104631429 /nfs/dbraw/zinc/63/14/29/1104631429.db2.gz MQNGRNYXVCIRJP-WOJBJXKFSA-N 2 1 316.489 3.098 20 0 DGADMP CCCC[NH+]1CCC2(CCC[N@@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001275117797 1104631651 /nfs/dbraw/zinc/63/16/51/1104631651.db2.gz NIIRYMONKLZHDL-UHFFFAOYSA-N 2 1 318.509 3.207 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246626382 1104633939 /nfs/dbraw/zinc/63/39/39/1104633939.db2.gz SXYNRMBSPZLWGH-OXQOHEQNSA-N 2 1 324.443 3.446 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc2c1 ZINC001246628167 1104634586 /nfs/dbraw/zinc/63/45/86/1104634586.db2.gz BBRGEDZDTYHVMB-PAXLWEDBSA-N 2 1 324.468 3.463 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246627951 1104634600 /nfs/dbraw/zinc/63/46/00/1104634600.db2.gz BEAVWCUYEDXFSC-CRAIPNDOSA-N 2 1 304.865 3.415 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631054 1104636224 /nfs/dbraw/zinc/63/62/24/1104636224.db2.gz OKHDSSVMMGINHV-CZUORRHYSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631054 1104636238 /nfs/dbraw/zinc/63/62/38/1104636238.db2.gz OKHDSSVMMGINHV-CZUORRHYSA-N 2 1 323.278 3.066 20 0 DGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246635051 1104638434 /nfs/dbraw/zinc/63/84/34/1104638434.db2.gz JFKBCFPKIMMHFF-ICSRJNTNSA-N 2 1 316.489 3.018 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246633560 1104638447 /nfs/dbraw/zinc/63/84/47/1104638447.db2.gz LHTMMXYZFJFKKV-OALUTQOASA-N 2 1 302.437 3.291 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C[C@H]21 ZINC001246635127 1104638603 /nfs/dbraw/zinc/63/86/03/1104638603.db2.gz SBSUHOACGVFSLQ-ZTTFOMCMSA-N 2 1 311.473 3.050 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634556 1104638684 /nfs/dbraw/zinc/63/86/84/1104638684.db2.gz OLZMGANXCVLQAW-QFBILLFUSA-N 2 1 320.427 3.430 20 0 DGADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@]3(C1)C[NH2+]CCC3(F)F)C2 ZINC001246635551 1104639046 /nfs/dbraw/zinc/63/90/46/1104639046.db2.gz CLATXUSTWAOAHX-FUHWJXTLSA-N 2 1 320.427 3.173 20 0 DGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001246638637 1104640103 /nfs/dbraw/zinc/64/01/03/1104640103.db2.gz NGTXXPSZXJIZIJ-RDJZCZTQSA-N 2 1 308.416 3.247 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246644692 1104642217 /nfs/dbraw/zinc/64/22/17/1104642217.db2.gz LHNGYCCIQQRVQA-FUHWJXTLSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275146057 1104646771 /nfs/dbraw/zinc/64/67/71/1104646771.db2.gz TYJSRUIZULQTJF-AABGKKOBSA-N 2 1 321.553 3.469 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649815 1104647226 /nfs/dbraw/zinc/64/72/26/1104647226.db2.gz FOIHBUWGISSFMZ-YLJYHZDGSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649815 1104647230 /nfs/dbraw/zinc/64/72/30/1104647230.db2.gz FOIHBUWGISSFMZ-YLJYHZDGSA-N 2 1 314.473 3.161 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664071 1104654377 /nfs/dbraw/zinc/65/43/77/1104654377.db2.gz XIMUEJWCNLTCBU-DUVNUKRYSA-N 2 1 323.278 3.193 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664071 1104654381 /nfs/dbraw/zinc/65/43/81/1104654381.db2.gz XIMUEJWCNLTCBU-DUVNUKRYSA-N 2 1 323.278 3.193 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3CCC[C@@]3([NH3+])C1)CC2 ZINC001246665856 1104654637 /nfs/dbraw/zinc/65/46/37/1104654637.db2.gz RDCPLZJGDXMSGD-SNUQEOBHSA-N 2 1 320.864 3.019 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)n(C)n1 ZINC001275151823 1104655238 /nfs/dbraw/zinc/65/52/38/1104655238.db2.gz QTAFIXRIERRBSN-ALOPSCKCSA-N 2 1 318.509 3.250 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)n(C)n1 ZINC001275151823 1104655243 /nfs/dbraw/zinc/65/52/43/1104655243.db2.gz QTAFIXRIERRBSN-ALOPSCKCSA-N 2 1 318.509 3.250 20 0 DGADMP CSCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246672133 1104655600 /nfs/dbraw/zinc/65/56/00/1104655600.db2.gz JYDQXXMSIXQYNH-YTQUADARSA-N 2 1 318.530 3.381 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC001246676541 1104656944 /nfs/dbraw/zinc/65/69/44/1104656944.db2.gz CCEABZCURNXZKT-FGTMMUONSA-N 2 1 316.464 3.395 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676805 1104657418 /nfs/dbraw/zinc/65/74/18/1104657418.db2.gz GQFLONRQVRUBEF-AAEUAGOBSA-N 2 1 313.272 3.466 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246679013 1104658211 /nfs/dbraw/zinc/65/82/11/1104658211.db2.gz QNIOGZZTPMLHMP-SQNIBIBYSA-N 2 1 316.464 3.395 20 0 DGADMP FC(F)(F)CC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275163439 1104660063 /nfs/dbraw/zinc/66/00/63/1104660063.db2.gz RLLKSURRQFTVLH-UHFFFAOYSA-N 2 1 315.383 3.255 20 0 DGADMP CCCCCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246682829 1104660372 /nfs/dbraw/zinc/66/03/72/1104660372.db2.gz OHUOYBSRXCNPLA-LNLFQRSKSA-N 2 1 324.509 3.210 20 0 DGADMP C[C@@H](Cc1ccco1)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246686326 1104661890 /nfs/dbraw/zinc/66/18/90/1104661890.db2.gz RKTIUXXVCJVIAF-DBVUQKKJSA-N 2 1 310.441 3.290 20 0 DGADMP C(C1CCOCC1)[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275171586 1104664918 /nfs/dbraw/zinc/66/49/18/1104664918.db2.gz MTNXMNJRYOJTBH-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC[NH2+]1 ZINC001246715238 1104665318 /nfs/dbraw/zinc/66/53/18/1104665318.db2.gz QQHYWCYXIJQDSM-VBSBHUPXSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC[NH2+]1 ZINC001246715235 1104665756 /nfs/dbraw/zinc/66/57/56/1104665756.db2.gz QQHYWCYXIJQDSM-GSEOLPGOSA-N 2 1 314.473 3.166 20 0 DGADMP C[NH2+]CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001246769218 1104667420 /nfs/dbraw/zinc/66/74/20/1104667420.db2.gz QRHOJOARKSYKKK-DSYPUSFNSA-N 2 1 314.473 3.181 20 0 DGADMP COc1ccccc1C[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246767843 1104667792 /nfs/dbraw/zinc/66/77/92/1104667792.db2.gz CJLLIQZVERJHSI-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@@H]1c1ccccc1 ZINC001246777168 1104669280 /nfs/dbraw/zinc/66/92/80/1104669280.db2.gz RCPZTLCNISGJNL-GUDVDZBRSA-N 2 1 315.505 3.142 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246780287 1104670337 /nfs/dbraw/zinc/67/03/37/1104670337.db2.gz CDTLVBYROSUGFR-SUTQANCOSA-N 2 1 300.446 3.121 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246781445 1104670491 /nfs/dbraw/zinc/67/04/91/1104670491.db2.gz FIYUENGHIUYPMZ-SZMVWBNQSA-N 2 1 320.452 3.446 20 0 DGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780626 1104670994 /nfs/dbraw/zinc/67/09/94/1104670994.db2.gz SZANBVWJFBGOQK-YJBOKZPZSA-N 2 1 320.477 3.302 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780626 1104671000 /nfs/dbraw/zinc/67/10/00/1104671000.db2.gz SZANBVWJFBGOQK-YJBOKZPZSA-N 2 1 320.477 3.302 20 0 DGADMP CC[C@H]1CC([N@@H+](CCC(=O)OC)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246782438 1104672177 /nfs/dbraw/zinc/67/21/77/1104672177.db2.gz JVXZRKKDMWQIES-GJZGRUSLSA-N 2 1 310.482 3.103 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246783782 1104672409 /nfs/dbraw/zinc/67/24/09/1104672409.db2.gz VBCFWPNSGCBQAL-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246781628 1104672534 /nfs/dbraw/zinc/67/25/34/1104672534.db2.gz GEWPTIWXCXQVIO-ZIFCJYIRSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785686 1104673294 /nfs/dbraw/zinc/67/32/94/1104673294.db2.gz KWHDTFUBZMXFLL-QYZOEREBSA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785686 1104673298 /nfs/dbraw/zinc/67/32/98/1104673298.db2.gz KWHDTFUBZMXFLL-QYZOEREBSA-N 3 1 321.553 3.494 20 0 DGADMP COCC[N@H+](C(C)C)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785817 1104673543 /nfs/dbraw/zinc/67/35/43/1104673543.db2.gz LITLNGRSKMMXTQ-AEFFLSMTSA-N 2 1 308.441 3.284 20 0 DGADMP COCC[N@@H+](C(C)C)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785817 1104673546 /nfs/dbraw/zinc/67/35/46/1104673546.db2.gz LITLNGRSKMMXTQ-AEFFLSMTSA-N 2 1 308.441 3.284 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246788171 1104675063 /nfs/dbraw/zinc/67/50/63/1104675063.db2.gz NQKZIADYUFWNOT-OLMNPRSZSA-N 2 1 322.880 3.462 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)n[nH]1 ZINC001275208150 1104676684 /nfs/dbraw/zinc/67/66/84/1104676684.db2.gz IOSZFZKRMNYEPP-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n[nH]1 ZINC001275208150 1104676689 /nfs/dbraw/zinc/67/66/89/1104676689.db2.gz IOSZFZKRMNYEPP-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001246792601 1104677887 /nfs/dbraw/zinc/67/78/87/1104677887.db2.gz AJPHBJCDUDSPPL-TZMCWYRMSA-N 2 1 300.368 3.493 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246795818 1104679692 /nfs/dbraw/zinc/67/96/92/1104679692.db2.gz KGBCEAKXGPLSIS-NJAFHUGGSA-N 2 1 317.477 3.092 20 0 DGADMP Clc1ccc(CO[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246796458 1104679859 /nfs/dbraw/zinc/67/98/59/1104679859.db2.gz KLRCVWHBFQUXHC-KRWDZBQOSA-N 2 1 308.853 3.073 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246798277 1104680975 /nfs/dbraw/zinc/68/09/75/1104680975.db2.gz NUGRTGLLMCRKIP-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP CCc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)on1 ZINC001275228391 1104683340 /nfs/dbraw/zinc/68/33/40/1104683340.db2.gz BMGUTXZKKRZOEO-IYBDPMFKSA-N 2 1 317.477 3.323 20 0 DGADMP CCc1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)on1 ZINC001275228391 1104683343 /nfs/dbraw/zinc/68/33/43/1104683343.db2.gz BMGUTXZKKRZOEO-IYBDPMFKSA-N 2 1 317.477 3.323 20 0 DGADMP CCc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)on1 ZINC001275228391 1104683347 /nfs/dbraw/zinc/68/33/47/1104683347.db2.gz BMGUTXZKKRZOEO-IYBDPMFKSA-N 2 1 317.477 3.323 20 0 DGADMP C[N@H+](Cc1c(Cl)cccc1Cl)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246811202 1104685926 /nfs/dbraw/zinc/68/59/26/1104685926.db2.gz OSUVKWQZCGUJRY-JTQLQIEISA-N 2 1 317.285 3.273 20 0 DGADMP C[N@@H+](Cc1c(Cl)cccc1Cl)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246811202 1104685932 /nfs/dbraw/zinc/68/59/32/1104685932.db2.gz OSUVKWQZCGUJRY-JTQLQIEISA-N 2 1 317.285 3.273 20 0 DGADMP C[N@H+](Cc1c(Cl)cccc1Cl)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246811203 1104685957 /nfs/dbraw/zinc/68/59/57/1104685957.db2.gz OSUVKWQZCGUJRY-SNVBAGLBSA-N 2 1 317.285 3.273 20 0 DGADMP C[N@@H+](Cc1c(Cl)cccc1Cl)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246811203 1104685958 /nfs/dbraw/zinc/68/59/58/1104685958.db2.gz OSUVKWQZCGUJRY-SNVBAGLBSA-N 2 1 317.285 3.273 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246813883 1104688263 /nfs/dbraw/zinc/68/82/63/1104688263.db2.gz LSOYVLWTOAZJNF-AEFFLSMTSA-N 2 1 304.478 3.336 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246813885 1104688419 /nfs/dbraw/zinc/68/84/19/1104688419.db2.gz LSOYVLWTOAZJNF-SJLPKXTDSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820589 1104691433 /nfs/dbraw/zinc/69/14/33/1104691433.db2.gz HWYMOYHHHATFRQ-XPKDYRNWSA-N 2 1 323.278 3.379 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001246828543 1104694647 /nfs/dbraw/zinc/69/46/47/1104694647.db2.gz CBMPXVZBLNUKKM-GXTWGEPZSA-N 2 1 300.368 3.493 20 0 DGADMP COCCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246834759 1104696426 /nfs/dbraw/zinc/69/64/26/1104696426.db2.gz GPHNJOSWJITYKB-GOSISDBHSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)c1C ZINC001246835955 1104697910 /nfs/dbraw/zinc/69/79/10/1104697910.db2.gz MACJYRUUXBJQDR-GOSISDBHSA-N 2 1 313.489 3.100 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246841849 1104701863 /nfs/dbraw/zinc/70/18/63/1104701863.db2.gz PCGZIXAPGZWQQO-MSOLQXFVSA-N 2 1 302.462 3.198 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246842345 1104702957 /nfs/dbraw/zinc/70/29/57/1104702957.db2.gz PIJLEYOQCOJJOK-RBUKOAKNSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843873 1104703129 /nfs/dbraw/zinc/70/31/29/1104703129.db2.gz WYLYQEYXSISYJE-ZIEJDFEHSA-N 2 1 312.379 3.306 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246842427 1104704048 /nfs/dbraw/zinc/70/40/48/1104704048.db2.gz RWMXZJDUNKIRQW-QRVBRYPASA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246849284 1104706853 /nfs/dbraw/zinc/70/68/53/1104706853.db2.gz ZKWGRVRADKILSP-RDBSUJKOSA-N 2 1 310.894 3.362 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c(C)c1 ZINC001246855190 1104708813 /nfs/dbraw/zinc/70/88/13/1104708813.db2.gz WEPXIDVRYLULHT-BWTSREIZSA-N 2 1 313.489 3.099 20 0 DGADMP C1CCC2(CC1)C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)CCO2 ZINC001246860708 1104710160 /nfs/dbraw/zinc/71/01/60/1104710160.db2.gz HDIANOXUXQVQGT-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001246865714 1104713043 /nfs/dbraw/zinc/71/30/43/1104713043.db2.gz WRCTYIFDGSFZHP-JSGCOSHPSA-N 2 1 300.368 3.178 20 0 DGADMP CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246879693 1104717442 /nfs/dbraw/zinc/71/74/42/1104717442.db2.gz CEGPTMAHZRLGRU-ZACQAIPSSA-N 2 1 317.477 3.175 20 0 DGADMP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246879693 1104717453 /nfs/dbraw/zinc/71/74/53/1104717453.db2.gz CEGPTMAHZRLGRU-ZACQAIPSSA-N 2 1 317.477 3.175 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246879608 1104718917 /nfs/dbraw/zinc/71/89/17/1104718917.db2.gz XDBMHXHVTCAAMC-QWFCFKBJSA-N 2 1 314.473 3.407 20 0 DGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882248 1104719201 /nfs/dbraw/zinc/71/92/01/1104719201.db2.gz XZXYPBVPSRMJSP-BWPNAZKDSA-N 2 1 316.489 3.053 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246881099 1104719516 /nfs/dbraw/zinc/71/95/16/1104719516.db2.gz XQCFDBQZBOYQPO-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc(C)c1O ZINC001275319581 1104720148 /nfs/dbraw/zinc/72/01/48/1104720148.db2.gz VFBLLHZXUWNXSG-UHFFFAOYSA-N 2 1 302.462 3.317 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246881406 1104720194 /nfs/dbraw/zinc/72/01/94/1104720194.db2.gz CPQIIFCMNSYINF-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246885410 1104723500 /nfs/dbraw/zinc/72/35/00/1104723500.db2.gz FOQPCAXOFFRFCJ-QZTJIDSGSA-N 2 1 318.505 3.426 20 0 DGADMP CCCN([C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246893610 1104725406 /nfs/dbraw/zinc/72/54/06/1104725406.db2.gz LACFSKIHOSGRDD-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001246892934 1104726353 /nfs/dbraw/zinc/72/63/53/1104726353.db2.gz KJRYLGILDLLNSU-MSOLQXFVSA-N 2 1 316.489 3.239 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+](C)CCCC[NH3+] ZINC001246895338 1104727157 /nfs/dbraw/zinc/72/71/57/1104727157.db2.gz VKKLKEBVFUBKSW-ZDUSSCGKSA-N 2 1 313.283 3.441 20 0 DGADMP CCC[N@@H+]([C@H](CC)Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC001246895107 1104727767 /nfs/dbraw/zinc/72/77/67/1104727767.db2.gz RXAZPGVDKWNFJW-MRXNPFEDSA-N 2 1 318.461 3.200 20 0 DGADMP CC[C@H]1CC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246902679 1104728541 /nfs/dbraw/zinc/72/85/41/1104728541.db2.gz LWQGDXIPZIOBCM-JYJNAYRXSA-N 2 1 324.509 3.492 20 0 DGADMP Fc1ccc(S[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246905263 1104730929 /nfs/dbraw/zinc/73/09/29/1104730929.db2.gz BNMZHKINDJIFIC-MYSGWJLTSA-N 2 1 306.450 3.275 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246909197 1104731441 /nfs/dbraw/zinc/73/14/41/1104731441.db2.gz FIYUENGHIUYPMZ-CGTJXYLNSA-N 2 1 320.452 3.446 20 0 DGADMP c1ccc(C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCSCC2)cc1 ZINC001246908338 1104731661 /nfs/dbraw/zinc/73/16/61/1104731661.db2.gz APKKWMUMFMTGLG-DZFIZOCASA-N 2 1 316.514 3.382 20 0 DGADMP C[NH2+]CC[C@H](C)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001246910890 1104733581 /nfs/dbraw/zinc/73/35/81/1104733581.db2.gz LCMJLIMPXSYCFM-HNNXBMFYSA-N 2 1 323.912 3.234 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246912614 1104734275 /nfs/dbraw/zinc/73/42/75/1104734275.db2.gz UKPOZBHGEKUAEU-CQJJOKNBSA-N 3 1 315.505 3.289 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246914089 1104735302 /nfs/dbraw/zinc/73/53/02/1104735302.db2.gz JONHZZFKRAHWED-NBMJBFSESA-N 2 1 316.489 3.479 20 0 DGADMP CC[C@@H]1CC([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246918789 1104736715 /nfs/dbraw/zinc/73/67/15/1104736715.db2.gz QJHJVTJRVDDERD-IAGOWNOFSA-N 2 1 316.445 3.098 20 0 DGADMP CC[C@@H]1CC([N@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246918789 1104736722 /nfs/dbraw/zinc/73/67/22/1104736722.db2.gz QJHJVTJRVDDERD-IAGOWNOFSA-N 2 1 316.445 3.098 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246918273 1104737328 /nfs/dbraw/zinc/73/73/28/1104737328.db2.gz DFRUABHPHFUHND-OALUTQOASA-N 2 1 317.521 3.217 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246918279 1104737547 /nfs/dbraw/zinc/73/75/47/1104737547.db2.gz DFRUABHPHFUHND-RTBURBONSA-N 2 1 317.521 3.217 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)c1 ZINC001246917789 1104737740 /nfs/dbraw/zinc/73/77/40/1104737740.db2.gz XJCBMXAVXMCHIH-ROUUACIJSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920065 1104739283 /nfs/dbraw/zinc/73/92/83/1104739283.db2.gz IWPZNOPMESOANR-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920065 1104739285 /nfs/dbraw/zinc/73/92/85/1104739285.db2.gz IWPZNOPMESOANR-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP COCC[N@H+](C1CCC(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC001246926668 1104739588 /nfs/dbraw/zinc/73/95/88/1104739588.db2.gz DKCVPIYYFDTXDT-MHJFOBGBSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@@H+](C1CCC(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC001246926668 1104739591 /nfs/dbraw/zinc/73/95/91/1104739591.db2.gz DKCVPIYYFDTXDT-MHJFOBGBSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](CCCCCCO)Cc2ccccc2)CC[NH2+]1 ZINC001246925237 1104739695 /nfs/dbraw/zinc/73/96/95/1104739695.db2.gz LSXITCHBRCYHEN-PKOBYXMFSA-N 2 1 304.478 3.182 20 0 DGADMP COCC[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246925948 1104740634 /nfs/dbraw/zinc/74/06/34/1104740634.db2.gz BBNWCPBGZFZEQD-CEXWTWQISA-N 2 1 302.462 3.023 20 0 DGADMP COCC[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246925948 1104740640 /nfs/dbraw/zinc/74/06/40/1104740640.db2.gz BBNWCPBGZFZEQD-CEXWTWQISA-N 2 1 302.462 3.023 20 0 DGADMP CCCC[C@@H]1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246935706 1104742502 /nfs/dbraw/zinc/74/25/02/1104742502.db2.gz VMCJNMZEOPJDFZ-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP Nc1cccc2c1CC[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246933425 1104743395 /nfs/dbraw/zinc/74/33/95/1104743395.db2.gz IONDWVLNQLMKID-YLJYHZDGSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246933425 1104743400 /nfs/dbraw/zinc/74/34/00/1104743400.db2.gz IONDWVLNQLMKID-YLJYHZDGSA-N 2 1 307.441 3.120 20 0 DGADMP CC1(C)C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939631 1104743956 /nfs/dbraw/zinc/74/39/56/1104743956.db2.gz BSKVGXTWIZMLDF-ROUUACIJSA-N 2 1 320.452 3.337 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939631 1104743959 /nfs/dbraw/zinc/74/39/59/1104743959.db2.gz BSKVGXTWIZMLDF-ROUUACIJSA-N 2 1 320.452 3.337 20 0 DGADMP Cc1cnc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)s1 ZINC001275393161 1104744322 /nfs/dbraw/zinc/74/43/22/1104744322.db2.gz HNUFVBBTGRPGKV-UHFFFAOYSA-N 2 1 305.491 3.292 20 0 DGADMP c1nc2c(s1)C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)CC2 ZINC001246938069 1104744496 /nfs/dbraw/zinc/74/44/96/1104744496.db2.gz OPXICOPXBGUGMM-GOEBONIOSA-N 2 1 319.518 3.245 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CCC2 ZINC001246943412 1104746482 /nfs/dbraw/zinc/74/64/82/1104746482.db2.gz BTIPUADXMVFPRH-QUCCMNQESA-N 2 1 314.473 3.366 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246944113 1104746911 /nfs/dbraw/zinc/74/69/11/1104746911.db2.gz UCLQLXZNPKXDMS-KGLIPLIRSA-N 2 1 322.880 3.137 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246946527 1104747293 /nfs/dbraw/zinc/74/72/93/1104747293.db2.gz QPBFOQLYBCYUDU-KSZLIROESA-N 2 1 314.473 3.358 20 0 DGADMP CCOCC[N@@H+]([C@H](C)Cc1ccc(CC)cc1)C1CC[NH2+]CC1 ZINC001246951301 1104749562 /nfs/dbraw/zinc/74/95/62/1104749562.db2.gz SZMJAOIBTHKOIK-QGZVFWFLSA-N 2 1 318.505 3.271 20 0 DGADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246950267 1104749661 /nfs/dbraw/zinc/74/96/61/1104749661.db2.gz WOHWMUKEMFIYAS-FOCJUVANSA-N 2 1 311.256 3.000 20 0 DGADMP CO[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951366 1104749772 /nfs/dbraw/zinc/74/97/72/1104749772.db2.gz HXZJRQDPEORDNG-FHWLQOOXSA-N 2 1 320.452 3.337 20 0 DGADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951366 1104749780 /nfs/dbraw/zinc/74/97/80/1104749780.db2.gz HXZJRQDPEORDNG-FHWLQOOXSA-N 2 1 320.452 3.337 20 0 DGADMP COc1ccc(C[N@@H+]([C@H]2CC[C@H](C)C2)C2CC[NH2+]CC2)cc1 ZINC001246953409 1104751002 /nfs/dbraw/zinc/75/10/02/1104751002.db2.gz NOKNRWBAKJQBAO-YJBOKZPZSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246961815 1104752610 /nfs/dbraw/zinc/75/26/10/1104752610.db2.gz AYSHVSKJJZXXOB-RCCFBDPRSA-N 2 1 317.477 3.010 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246966128 1104753950 /nfs/dbraw/zinc/75/39/50/1104753950.db2.gz TTYUQQQKUOZCED-WTGUMLROSA-N 3 1 319.537 3.281 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]([C@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246966712 1104753979 /nfs/dbraw/zinc/75/39/79/1104753979.db2.gz WSLOXDLYHFICBB-GOSISDBHSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]([C@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246966712 1104753983 /nfs/dbraw/zinc/75/39/83/1104753983.db2.gz WSLOXDLYHFICBB-GOSISDBHSA-N 2 1 320.452 3.256 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246966595 1104754112 /nfs/dbraw/zinc/75/41/12/1104754112.db2.gz KQYYATYZESCREQ-HOJAQTOUSA-N 2 1 315.505 3.112 20 0 DGADMP O=C(c1ccccc1F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246967840 1104754730 /nfs/dbraw/zinc/75/47/30/1104754730.db2.gz OOJFMWXOKOSDEV-XYPWUTKMSA-N 2 1 316.420 3.003 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970680 1104755322 /nfs/dbraw/zinc/75/53/22/1104755322.db2.gz BIISBNDYMCSLES-GUYCJALGSA-N 2 1 320.427 3.286 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246971380 1104755384 /nfs/dbraw/zinc/75/53/84/1104755384.db2.gz AYOFRUXMWUXNGH-AOLWHUPESA-N 2 1 323.278 3.049 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246971384 1104756444 /nfs/dbraw/zinc/75/64/44/1104756444.db2.gz AYOFRUXMWUXNGH-UZMCECQYSA-N 2 1 323.278 3.049 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246974069 1104756578 /nfs/dbraw/zinc/75/65/78/1104756578.db2.gz QDRUQCOVODEJEV-BHIYHBOVSA-N 3 1 303.494 3.065 20 0 DGADMP CC[C@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246972751 1104756709 /nfs/dbraw/zinc/75/67/09/1104756709.db2.gz GLBPSHCGUGQTFB-ZWKOTPCHSA-N 2 1 303.494 3.099 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973694 1104756801 /nfs/dbraw/zinc/75/68/01/1104756801.db2.gz PIKZBFGHYJXRQO-YOEHRIQHSA-N 2 1 302.437 3.147 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ncccc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246972842 1104757122 /nfs/dbraw/zinc/75/71/22/1104757122.db2.gz JOZOZSWTZYULOQ-MLHJIOFPSA-N 2 1 317.477 3.152 20 0 DGADMP C[C@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)CO1 ZINC001246973554 1104757189 /nfs/dbraw/zinc/75/71/89/1104757189.db2.gz GLCOVMPNPHFHPQ-IJXRJRJASA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246976353 1104757758 /nfs/dbraw/zinc/75/77/58/1104757758.db2.gz ZQENCUXSSLDISK-NBMJBFSESA-N 2 1 303.494 3.097 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246979309 1104761040 /nfs/dbraw/zinc/76/10/40/1104761040.db2.gz OLQLCGHLJFSBMQ-QFBILLFUSA-N 2 1 316.445 3.160 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C[C@@H]1C ZINC001246985093 1104762322 /nfs/dbraw/zinc/76/23/22/1104762322.db2.gz AYSPRLPJVPIXEZ-NNPSNHGLSA-N 2 1 324.509 3.207 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246983197 1104762469 /nfs/dbraw/zinc/76/24/69/1104762469.db2.gz APBJBKMVMOJJNO-ZDUSSCGKSA-N 2 1 317.285 3.273 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246985720 1104763781 /nfs/dbraw/zinc/76/37/81/1104763781.db2.gz CDLUBIFNRGJOCK-UHFFFAOYSA-N 3 1 321.553 3.495 20 0 DGADMP CCCCN1CCC([N@H+](C)C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246985720 1104763785 /nfs/dbraw/zinc/76/37/85/1104763785.db2.gz CDLUBIFNRGJOCK-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP CCCCN1CCC([N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246985720 1104763793 /nfs/dbraw/zinc/76/37/93/1104763793.db2.gz CDLUBIFNRGJOCK-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP CC[C@H]1C[C@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC001246988033 1104765570 /nfs/dbraw/zinc/76/55/70/1104765570.db2.gz WJYHNPKCZISXTQ-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246995229 1104768789 /nfs/dbraw/zinc/76/87/89/1104768789.db2.gz SGUJPYQFLHWVIT-IAGOWNOFSA-N 2 1 316.445 3.141 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@H]3CCC4(C[NH2+]C4)C3)CC[C@@H]1N2 ZINC001246998532 1104769996 /nfs/dbraw/zinc/76/99/96/1104769996.db2.gz COKJPTAYIJMWEB-QRTARXTBSA-N 2 1 317.864 3.066 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cccc(Cl)c2C1 ZINC001246999049 1104770431 /nfs/dbraw/zinc/77/04/31/1104770431.db2.gz BUIJDNKUFBYEHX-WDVRLDOZSA-N 2 1 304.865 3.399 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[N@@H+]([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC001247002925 1104772752 /nfs/dbraw/zinc/77/27/52/1104772752.db2.gz UQSULZRBIXAJEH-IMRBUKKESA-N 2 1 311.256 3.350 20 0 DGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001247004412 1104772863 /nfs/dbraw/zinc/77/28/63/1104772863.db2.gz CBDXPODCFHJNIS-BMGDILEWSA-N 2 1 316.445 3.141 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007572 1104773731 /nfs/dbraw/zinc/77/37/31/1104773731.db2.gz YJXCJIFVVDRMLF-YJBOKZPZSA-N 2 1 319.468 3.035 20 0 DGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247006316 1104773955 /nfs/dbraw/zinc/77/39/55/1104773955.db2.gz IMZJLGVLAUYUKT-GVDBMIGSSA-N 2 1 324.509 3.066 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001247006396 1104774496 /nfs/dbraw/zinc/77/44/96/1104774496.db2.gz UFYBMCZWTKDLFF-RCJHGTSTSA-N 2 1 319.468 3.033 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008922 1104775555 /nfs/dbraw/zinc/77/55/55/1104775555.db2.gz ZJMHZRFAZGDSTL-GZOSKZMVSA-N 2 1 319.880 3.454 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008922 1104775561 /nfs/dbraw/zinc/77/55/61/1104775561.db2.gz ZJMHZRFAZGDSTL-GZOSKZMVSA-N 2 1 319.880 3.454 20 0 DGADMP CCCOc1cc2[nH]c(CCCC[NH3+])[nH+]c2cc1OCCC ZINC001247018533 1104780189 /nfs/dbraw/zinc/78/01/89/1104780189.db2.gz DNWARRXLTDMLKW-UHFFFAOYSA-N 2 1 305.422 3.422 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3cc(Cl)ncc13)CC2 ZINC001275577714 1104817433 /nfs/dbraw/zinc/81/74/33/1104817433.db2.gz INRHLDCDILHJAG-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001275789154 1104908179 /nfs/dbraw/zinc/90/81/79/1104908179.db2.gz DCBIUIJYERFHTN-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC001275789154 1104908180 /nfs/dbraw/zinc/90/81/80/1104908180.db2.gz DCBIUIJYERFHTN-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC001275789154 1104908183 /nfs/dbraw/zinc/90/81/83/1104908183.db2.gz DCBIUIJYERFHTN-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccs2)c1 ZINC001275857722 1104934280 /nfs/dbraw/zinc/93/42/80/1104934280.db2.gz JXCLQYSUUONXPN-MQVJKMGUSA-N 2 1 301.459 3.361 20 0 DGADMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cc1 ZINC001275893957 1104946526 /nfs/dbraw/zinc/94/65/26/1104946526.db2.gz GKXSXDBLVDWYTR-HDICACEKSA-N 2 1 314.473 3.479 20 0 DGADMP Oc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cc1 ZINC001275893957 1104946530 /nfs/dbraw/zinc/94/65/30/1104946530.db2.gz GKXSXDBLVDWYTR-HDICACEKSA-N 2 1 314.473 3.479 20 0 DGADMP Oc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc1 ZINC001275893957 1104946536 /nfs/dbraw/zinc/94/65/36/1104946536.db2.gz GKXSXDBLVDWYTR-HDICACEKSA-N 2 1 314.473 3.479 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1-c1cncnc1)CC2 ZINC001275895448 1104946644 /nfs/dbraw/zinc/94/66/44/1104946644.db2.gz STJHMZGDEOZMES-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP C[C@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032930 1104991897 /nfs/dbraw/zinc/99/18/97/1104991897.db2.gz QQOUYFFXSHFWNB-WMZOPIPTSA-N 2 1 323.484 3.374 20 0 DGADMP C[C@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032930 1104991902 /nfs/dbraw/zinc/99/19/02/1104991902.db2.gz QQOUYFFXSHFWNB-WMZOPIPTSA-N 2 1 323.484 3.374 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1N ZINC000719899284 1105033148 /nfs/dbraw/zinc/03/31/48/1105033148.db2.gz YQQLDFMXPFRZFZ-UXHICEINSA-N 2 1 315.505 3.100 20 0 DGADMP c1csc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001276184009 1105039947 /nfs/dbraw/zinc/03/99/47/1105039947.db2.gz ZNHQSVWMMWYMDW-UHFFFAOYSA-N 2 1 305.491 3.374 20 0 DGADMP c1csc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001276184009 1105039951 /nfs/dbraw/zinc/03/99/51/1105039951.db2.gz ZNHQSVWMMWYMDW-UHFFFAOYSA-N 2 1 305.491 3.374 20 0 DGADMP COc1cc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)ccc1F ZINC001276187264 1105042992 /nfs/dbraw/zinc/04/29/92/1105042992.db2.gz AXKUOHIMLZYIDO-GOSISDBHSA-N 2 1 306.425 3.142 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000719951446 1105045247 /nfs/dbraw/zinc/04/52/47/1105045247.db2.gz AJLNBIHLXQZDCZ-ZCNNSNEGSA-N 2 1 315.505 3.243 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(OC(F)F)c1)CC2 ZINC001276217630 1105052733 /nfs/dbraw/zinc/05/27/33/1105052733.db2.gz PTFKGHXMHJPASZ-UHFFFAOYSA-N 2 1 310.388 3.206 20 0 DGADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)co1 ZINC001276264506 1105068323 /nfs/dbraw/zinc/06/83/23/1105068323.db2.gz GITMTRIXHOYXJI-UHFFFAOYSA-N 2 1 303.450 3.214 20 0 DGADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)co1 ZINC001276264506 1105068330 /nfs/dbraw/zinc/06/83/30/1105068330.db2.gz GITMTRIXHOYXJI-UHFFFAOYSA-N 2 1 303.450 3.214 20 0 DGADMP Cc1cccc(Br)c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001248619057 1105138217 /nfs/dbraw/zinc/13/82/17/1105138217.db2.gz TVBPRBVRZBXGPD-INIZCTEOSA-N 2 1 323.278 3.285 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001249514439 1105301908 /nfs/dbraw/zinc/30/19/08/1105301908.db2.gz LANVXYIVZNQHRQ-UHFFFAOYSA-N 2 1 315.383 3.182 20 0 DGADMP C[N@H+]1CCc2ccc(Nc3ccncc3C(F)(F)F)cc2C1 ZINC001249594535 1105326491 /nfs/dbraw/zinc/32/64/91/1105326491.db2.gz QOUSLJOYJCYMQV-UHFFFAOYSA-N 2 1 307.319 3.254 20 0 DGADMP C[N@H+]1CCc2ccc(Nc3cc[nH+]cc3C(F)(F)F)cc2C1 ZINC001249594535 1105326506 /nfs/dbraw/zinc/32/65/06/1105326506.db2.gz QOUSLJOYJCYMQV-UHFFFAOYSA-N 2 1 307.319 3.254 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)N(CC)CC2 ZINC001249671933 1105351650 /nfs/dbraw/zinc/35/16/50/1105351650.db2.gz ZYYUIEMAMQMAQQ-UHFFFAOYSA-N 2 1 303.494 3.233 20 0 DGADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001251974452 1105717487 /nfs/dbraw/zinc/71/74/87/1105717487.db2.gz GPCZUSOVCXTZJO-WMQCIHAUSA-N 2 1 324.468 3.015 20 0 DGADMP O[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001251988131 1105720025 /nfs/dbraw/zinc/72/00/25/1105720025.db2.gz IBUHJIGBXUGFIH-MOPGFXCFSA-N 2 1 302.462 3.060 20 0 DGADMP O[C@H](C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846314 1105840534 /nfs/dbraw/zinc/84/05/34/1105840534.db2.gz KASQJDAHHFIFLQ-RBUKOAKNSA-N 2 1 320.452 3.200 20 0 DGADMP O[C@H](C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846314 1105840545 /nfs/dbraw/zinc/84/05/45/1105840545.db2.gz KASQJDAHHFIFLQ-RBUKOAKNSA-N 2 1 320.452 3.200 20 0 DGADMP CCC[C@H]1CCCC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926992 1105855965 /nfs/dbraw/zinc/85/59/65/1105855965.db2.gz DCHAHYQPYZCOKU-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@H]1CCCC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926992 1105855970 /nfs/dbraw/zinc/85/59/70/1105855970.db2.gz DCHAHYQPYZCOKU-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@H]1CCCC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252926992 1105855974 /nfs/dbraw/zinc/85/59/74/1105855974.db2.gz DCHAHYQPYZCOKU-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@H]1CCCC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252926992 1105855980 /nfs/dbraw/zinc/85/59/80/1105855980.db2.gz DCHAHYQPYZCOKU-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945393 1105858299 /nfs/dbraw/zinc/85/82/99/1105858299.db2.gz CINFDPHHBQGPSG-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945393 1105858309 /nfs/dbraw/zinc/85/83/09/1105858309.db2.gz CINFDPHHBQGPSG-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)(CC1CCC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252953304 1105859586 /nfs/dbraw/zinc/85/95/86/1105859586.db2.gz KRTCTAKTVCWCAC-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(CC1CCC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252953304 1105859592 /nfs/dbraw/zinc/85/95/92/1105859592.db2.gz KRTCTAKTVCWCAC-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@](C)(O)c1ccccc1 ZINC001253103290 1105888714 /nfs/dbraw/zinc/88/87/14/1105888714.db2.gz COZIUXRMLOKNQT-ZCNNSNEGSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC001253103290 1105888718 /nfs/dbraw/zinc/88/87/18/1105888718.db2.gz COZIUXRMLOKNQT-ZCNNSNEGSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@](C)(O)c1ccccc1 ZINC001253103290 1105888724 /nfs/dbraw/zinc/88/87/24/1105888724.db2.gz COZIUXRMLOKNQT-ZCNNSNEGSA-N 2 1 316.489 3.233 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC001253214160 1105904387 /nfs/dbraw/zinc/90/43/87/1105904387.db2.gz NYPUFKMWJTUNIC-APWZRJJASA-N 2 1 306.494 3.238 20 0 DGADMP CCCCC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253534788 1105952255 /nfs/dbraw/zinc/95/22/55/1105952255.db2.gz DPNSXUQXUHRYCH-UXHICEINSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253534788 1105952258 /nfs/dbraw/zinc/95/22/58/1105952258.db2.gz DPNSXUQXUHRYCH-UXHICEINSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253534788 1105952262 /nfs/dbraw/zinc/95/22/62/1105952262.db2.gz DPNSXUQXUHRYCH-UXHICEINSA-N 2 1 318.505 3.382 20 0 DGADMP CCCC[N@@H+](CC)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254030025 1106011365 /nfs/dbraw/zinc/01/13/65/1106011365.db2.gz TWKHWINEWMGHIF-UHFFFAOYSA-N 2 1 304.478 3.136 20 0 DGADMP CCC(CC)[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040429 1106012303 /nfs/dbraw/zinc/01/23/03/1106012303.db2.gz SVUWKVMZDGISGB-UHFFFAOYSA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)[C@@H]1CCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254041605 1106012843 /nfs/dbraw/zinc/01/28/43/1106012843.db2.gz MJSKWZZGLXDIBO-IBGZPJMESA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001254496950 1106082328 /nfs/dbraw/zinc/08/23/28/1106082328.db2.gz AXNLPRIKEDJARF-ZDUSSCGKSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001254496950 1106082333 /nfs/dbraw/zinc/08/23/33/1106082333.db2.gz AXNLPRIKEDJARF-ZDUSSCGKSA-N 2 1 302.340 3.159 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[N@H+](C)CC3)cc2)n1 ZINC001254501640 1106083306 /nfs/dbraw/zinc/08/33/06/1106083306.db2.gz XDVXSIKUOTYKSF-GOSISDBHSA-N 2 1 312.461 3.063 20 0 DGADMP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@H]1CCC[N@@H+](C)CC1 ZINC001254500479 1106083850 /nfs/dbraw/zinc/08/38/50/1106083850.db2.gz HVWAMZKYZSFKGP-ZBFHGGJFSA-N 2 1 315.461 3.196 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001254499754 1106083973 /nfs/dbraw/zinc/08/39/73/1106083973.db2.gz PJDRWZCFBKSBFI-ZDUSSCGKSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001254506675 1106084488 /nfs/dbraw/zinc/08/44/88/1106084488.db2.gz WWWLWOQDIAWBFA-INIZCTEOSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001254511686 1106086528 /nfs/dbraw/zinc/08/65/28/1106086528.db2.gz CKEGRKYENUWKNR-KRWDZBQOSA-N 2 1 311.429 3.448 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)CC2)ccc1Br ZINC001254508311 1106087119 /nfs/dbraw/zinc/08/71/19/1106087119.db2.gz QPIAFTFAQYPOIV-AWEZNQCLSA-N 2 1 311.267 3.331 20 0 DGADMP Cc1ccccc1OC1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254515963 1106089276 /nfs/dbraw/zinc/08/92/76/1106089276.db2.gz HRHLLFGZAVLOKA-QGZVFWFLSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254522228 1106089993 /nfs/dbraw/zinc/08/99/93/1106089993.db2.gz FEKIIBDHVMOZAA-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)C1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522228 1106089998 /nfs/dbraw/zinc/08/99/98/1106089998.db2.gz FEKIIBDHVMOZAA-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)C1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522228 1106090004 /nfs/dbraw/zinc/09/00/04/1106090004.db2.gz FEKIIBDHVMOZAA-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254523027 1106090137 /nfs/dbraw/zinc/09/01/37/1106090137.db2.gz LVEGNMFYCXAUIJ-PKOBYXMFSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523027 1106090141 /nfs/dbraw/zinc/09/01/41/1106090141.db2.gz LVEGNMFYCXAUIJ-PKOBYXMFSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523027 1106090144 /nfs/dbraw/zinc/09/01/44/1106090144.db2.gz LVEGNMFYCXAUIJ-PKOBYXMFSA-N 2 1 302.462 3.323 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254523965 1106093065 /nfs/dbraw/zinc/09/30/65/1106093065.db2.gz STXSNTLQWFHKJR-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254523965 1106093070 /nfs/dbraw/zinc/09/30/70/1106093070.db2.gz STXSNTLQWFHKJR-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254523965 1106093074 /nfs/dbraw/zinc/09/30/74/1106093074.db2.gz STXSNTLQWFHKJR-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254523965 1106093077 /nfs/dbraw/zinc/09/30/77/1106093077.db2.gz STXSNTLQWFHKJR-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001254527537 1106094260 /nfs/dbraw/zinc/09/42/60/1106094260.db2.gz ZJOFXEKHXDRGKT-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001254527537 1106094264 /nfs/dbraw/zinc/09/42/64/1106094264.db2.gz ZJOFXEKHXDRGKT-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001254527537 1106094267 /nfs/dbraw/zinc/09/42/67/1106094267.db2.gz ZJOFXEKHXDRGKT-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001254527538 1106094554 /nfs/dbraw/zinc/09/45/54/1106094554.db2.gz ZJOFXEKHXDRGKT-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001254527538 1106094560 /nfs/dbraw/zinc/09/45/60/1106094560.db2.gz ZJOFXEKHXDRGKT-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001254527538 1106094567 /nfs/dbraw/zinc/09/45/67/1106094567.db2.gz ZJOFXEKHXDRGKT-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)CC1 ZINC001254532138 1106096211 /nfs/dbraw/zinc/09/62/11/1106096211.db2.gz QAUMEBDAVAXHIO-CQSZACIVSA-N 2 1 301.409 3.083 20 0 DGADMP C[N@H+]1CCC[C@H](n2c3ccc(F)cc3c3c2C[NH2+]CC3)CC1 ZINC001254532137 1106097129 /nfs/dbraw/zinc/09/71/29/1106097129.db2.gz QAUMEBDAVAXHIO-AWEZNQCLSA-N 2 1 301.409 3.083 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC001256569587 1106159248 /nfs/dbraw/zinc/15/92/48/1106159248.db2.gz KSHXCODKXLLLRE-OAHLLOKOSA-N 2 1 322.415 3.029 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC001256569587 1106159249 /nfs/dbraw/zinc/15/92/49/1106159249.db2.gz KSHXCODKXLLLRE-OAHLLOKOSA-N 2 1 322.415 3.029 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4Cc5ccccc5C4)C[C@@H]3C2)cc1 ZINC001255026502 1106168656 /nfs/dbraw/zinc/16/86/56/1106168656.db2.gz WTDHWNYNRIDJMR-OYRHEFFESA-N 2 1 318.464 3.218 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4Cc5ccccc5C4)C[C@@H]3C2)cc1 ZINC001255026502 1106168658 /nfs/dbraw/zinc/16/86/58/1106168658.db2.gz WTDHWNYNRIDJMR-OYRHEFFESA-N 2 1 318.464 3.218 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4Cc5ccccc5C4)C[C@@H]3C2)cc1 ZINC001255026502 1106168659 /nfs/dbraw/zinc/16/86/59/1106168659.db2.gz WTDHWNYNRIDJMR-OYRHEFFESA-N 2 1 318.464 3.218 20 0 DGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+](C4CCSCC4)C[C@@H]3C2)c1 ZINC001255089035 1106175859 /nfs/dbraw/zinc/17/58/59/1106175859.db2.gz LKWNHVSSHLTDJX-OKILXGFUSA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+](C4CCSCC4)C[C@@H]3C2)c1 ZINC001255089035 1106175865 /nfs/dbraw/zinc/17/58/65/1106175865.db2.gz LKWNHVSSHLTDJX-OKILXGFUSA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+](C4CCSCC4)C[C@@H]3C2)c1 ZINC001255089035 1106175869 /nfs/dbraw/zinc/17/58/69/1106175869.db2.gz LKWNHVSSHLTDJX-OKILXGFUSA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+](C4CCSCC4)C[C@@H]3C2)c1 ZINC001255089035 1106175873 /nfs/dbraw/zinc/17/58/73/1106175873.db2.gz LKWNHVSSHLTDJX-OKILXGFUSA-N 2 1 308.516 3.007 20 0 DGADMP CC(C)[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255106906 1106181117 /nfs/dbraw/zinc/18/11/17/1106181117.db2.gz CDHHEQDXRODVCX-UFYCRDLUSA-N 2 1 315.505 3.241 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001255107924 1106181832 /nfs/dbraw/zinc/18/18/32/1106181832.db2.gz KJIQXBCDJHWINR-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001255107924 1106181835 /nfs/dbraw/zinc/18/18/35/1106181835.db2.gz KJIQXBCDJHWINR-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255107924 1106181840 /nfs/dbraw/zinc/18/18/40/1106181840.db2.gz KJIQXBCDJHWINR-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255107924 1106181844 /nfs/dbraw/zinc/18/18/44/1106181844.db2.gz KJIQXBCDJHWINR-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)N([C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001255121299 1106183565 /nfs/dbraw/zinc/18/35/65/1106183565.db2.gz YHCPIGIYBVGGDQ-HXUWFJFHSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)N([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001255121299 1106183569 /nfs/dbraw/zinc/18/35/69/1106183569.db2.gz YHCPIGIYBVGGDQ-HXUWFJFHSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1cc(C[NH3+])nn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124876 1106185330 /nfs/dbraw/zinc/18/53/30/1106185330.db2.gz OPOQQRQWOXDGCG-BWTSREIZSA-N 2 1 310.445 3.018 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001255126909 1106185495 /nfs/dbraw/zinc/18/54/95/1106185495.db2.gz QJSGIJWHBBGNCK-ACDBMABISA-N 2 1 322.456 3.070 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255126909 1106185496 /nfs/dbraw/zinc/18/54/96/1106185496.db2.gz QJSGIJWHBBGNCK-ACDBMABISA-N 2 1 322.456 3.070 20 0 DGADMP [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131295 1106186242 /nfs/dbraw/zinc/18/62/42/1106186242.db2.gz ZPEYZYUXRJNOJK-VYJAJWGXSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255131295 1106186246 /nfs/dbraw/zinc/18/62/46/1106186246.db2.gz ZPEYZYUXRJNOJK-VYJAJWGXSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131295 1106186250 /nfs/dbraw/zinc/18/62/50/1106186250.db2.gz ZPEYZYUXRJNOJK-VYJAJWGXSA-N 3 1 313.489 3.042 20 0 DGADMP COC1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135247 1106186256 /nfs/dbraw/zinc/18/62/56/1106186256.db2.gz HVHJOUWQKJETBR-NNUJQTDSSA-N 2 1 314.473 3.197 20 0 DGADMP CC[N@@H+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255137231 1106187613 /nfs/dbraw/zinc/18/76/13/1106187613.db2.gz PTPSNYKOFJNYDS-REPLKXPHSA-N 2 1 302.462 3.150 20 0 DGADMP CC[NH+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137231 1106187615 /nfs/dbraw/zinc/18/76/15/1106187615.db2.gz PTPSNYKOFJNYDS-REPLKXPHSA-N 2 1 302.462 3.150 20 0 DGADMP CC[NH+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137231 1106187617 /nfs/dbraw/zinc/18/76/17/1106187617.db2.gz PTPSNYKOFJNYDS-REPLKXPHSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136579 1106188130 /nfs/dbraw/zinc/18/81/30/1106188130.db2.gz MJEAZQSILLLSFZ-UVBQOVKKSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136579 1106188133 /nfs/dbraw/zinc/18/81/33/1106188133.db2.gz MJEAZQSILLLSFZ-UVBQOVKKSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136579 1106188138 /nfs/dbraw/zinc/18/81/38/1106188138.db2.gz MJEAZQSILLLSFZ-UVBQOVKKSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136579 1106188142 /nfs/dbraw/zinc/18/81/42/1106188142.db2.gz MJEAZQSILLLSFZ-UVBQOVKKSA-N 2 1 314.473 3.027 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCSCC2)C3)cc1 ZINC001255143187 1106189510 /nfs/dbraw/zinc/18/95/10/1106189510.db2.gz WBGBSNJXTSFYJM-PIIMJCKOSA-N 2 1 302.487 3.231 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCSCC2)C3)cc1 ZINC001255143187 1106189512 /nfs/dbraw/zinc/18/95/12/1106189512.db2.gz WBGBSNJXTSFYJM-PIIMJCKOSA-N 2 1 302.487 3.231 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255254771 1106211257 /nfs/dbraw/zinc/21/12/57/1106211257.db2.gz KYVZFITUVRGIQB-PQCUMEFNSA-N 2 1 310.482 3.089 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@@H]1CCSC1)CC2 ZINC001255285347 1106215933 /nfs/dbraw/zinc/21/59/33/1106215933.db2.gz NCAAUENALFJCMC-NVXWUHKLSA-N 2 1 320.502 3.462 20 0 DGADMP CC[NH+](CC)CCCN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377630 1106236162 /nfs/dbraw/zinc/23/61/62/1106236162.db2.gz LRACRZBVAAEONH-FQEVSTJZSA-N 2 1 317.521 3.363 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255377630 1106236167 /nfs/dbraw/zinc/23/61/67/1106236167.db2.gz LRACRZBVAAEONH-FQEVSTJZSA-N 3 1 317.521 3.363 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377630 1106236169 /nfs/dbraw/zinc/23/61/69/1106236169.db2.gz LRACRZBVAAEONH-FQEVSTJZSA-N 3 1 317.521 3.363 20 0 DGADMP CN1CCCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383526 1106238030 /nfs/dbraw/zinc/23/80/30/1106238030.db2.gz LATGYQLIMWQOEU-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383526 1106238033 /nfs/dbraw/zinc/23/80/33/1106238033.db2.gz LATGYQLIMWQOEU-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCCC[C@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383526 1106238034 /nfs/dbraw/zinc/23/80/34/1106238034.db2.gz LATGYQLIMWQOEU-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@H]1CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383526 1106238036 /nfs/dbraw/zinc/23/80/36/1106238036.db2.gz LATGYQLIMWQOEU-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@H]1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383526 1106238038 /nfs/dbraw/zinc/23/80/38/1106238038.db2.gz LATGYQLIMWQOEU-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255392197 1106238965 /nfs/dbraw/zinc/23/89/65/1106238965.db2.gz GRZLCKGGUQFGOS-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP COCC1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255387944 1106239303 /nfs/dbraw/zinc/23/93/03/1106239303.db2.gz VZKSVTPOOPIHDD-SFHVURJKSA-N 2 1 302.462 3.200 20 0 DGADMP C[NH+](C)CCC(C)(C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255394604 1106240417 /nfs/dbraw/zinc/24/04/17/1106240417.db2.gz WIHCOJBGJSFYSA-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394624 1106241439 /nfs/dbraw/zinc/24/14/39/1106241439.db2.gz WPBUTXZPNVNPEM-QFBILLFUSA-N 2 1 312.461 3.125 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394624 1106241444 /nfs/dbraw/zinc/24/14/44/1106241444.db2.gz WPBUTXZPNVNPEM-QFBILLFUSA-N 2 1 312.461 3.125 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001255398268 1106242256 /nfs/dbraw/zinc/24/22/56/1106242256.db2.gz JEPLEHAPQULEHM-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001255398268 1106242259 /nfs/dbraw/zinc/24/22/59/1106242259.db2.gz JEPLEHAPQULEHM-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001255398268 1106242263 /nfs/dbraw/zinc/24/22/63/1106242263.db2.gz JEPLEHAPQULEHM-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)N([C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C[NH3+] ZINC001255398200 1106242573 /nfs/dbraw/zinc/24/25/73/1106242573.db2.gz TVHVMFCRLFHREM-IBGZPJMESA-N 2 1 317.521 3.489 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC34CCC4)CC2)cc1 ZINC001255404452 1106244984 /nfs/dbraw/zinc/24/49/84/1106244984.db2.gz JIRJDAGPAHHKDH-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC34CCC4)CC2)cc1 ZINC001255404452 1106244987 /nfs/dbraw/zinc/24/49/87/1106244987.db2.gz JIRJDAGPAHHKDH-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCOCC34CCC4)CC2)cc1 ZINC001255404452 1106244990 /nfs/dbraw/zinc/24/49/90/1106244990.db2.gz JIRJDAGPAHHKDH-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCOCC34CCC4)CC2)cc1 ZINC001255404452 1106244991 /nfs/dbraw/zinc/24/49/91/1106244991.db2.gz JIRJDAGPAHHKDH-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCC4(CCO4)CC3)CC2)cc1 ZINC001255405567 1106245765 /nfs/dbraw/zinc/24/57/65/1106245765.db2.gz NUXUQRLJBQLJIM-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCC4(CCO4)CC3)CC2)cc1 ZINC001255405567 1106245768 /nfs/dbraw/zinc/24/57/68/1106245768.db2.gz NUXUQRLJBQLJIM-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCC4(CCO4)CC3)CC2)cc1 ZINC001255405570 1106246023 /nfs/dbraw/zinc/24/60/23/1106246023.db2.gz NUXUQRLJBQLJIM-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCC4(CCO4)CC3)CC2)cc1 ZINC001255405570 1106246027 /nfs/dbraw/zinc/24/60/27/1106246027.db2.gz NUXUQRLJBQLJIM-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP C[NH2+]CCN([C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255409557 1106248460 /nfs/dbraw/zinc/24/84/60/1106248460.db2.gz HLTCLXXRZZJWTK-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP COC1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001255453778 1106252446 /nfs/dbraw/zinc/25/24/46/1106252446.db2.gz KDVQVSKTRNEJBK-UHFFFAOYSA-N 2 1 306.425 3.033 20 0 DGADMP COC1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001255452624 1106252742 /nfs/dbraw/zinc/25/27/42/1106252742.db2.gz PZFCEKZBAZEOBV-UHFFFAOYSA-N 2 1 306.425 3.033 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC(C)(C)C1 ZINC001255545327 1106267231 /nfs/dbraw/zinc/26/72/31/1106267231.db2.gz GQQZRLFAIWDDJC-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC(C)(C)C1 ZINC001255545327 1106267232 /nfs/dbraw/zinc/26/72/32/1106267232.db2.gz GQQZRLFAIWDDJC-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC(C)(C)C1 ZINC001255545327 1106267234 /nfs/dbraw/zinc/26/72/34/1106267234.db2.gz GQQZRLFAIWDDJC-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP CCN(CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC001255661917 1106288577 /nfs/dbraw/zinc/28/85/77/1106288577.db2.gz FXKSIWKWFXEARW-YQQQUEKLSA-N 2 1 315.505 3.426 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001255668037 1106290239 /nfs/dbraw/zinc/29/02/39/1106290239.db2.gz CRHZYCIMOVYCKU-LRCWTTKQSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001255668037 1106290242 /nfs/dbraw/zinc/29/02/42/1106290242.db2.gz CRHZYCIMOVYCKU-LRCWTTKQSA-N 2 1 322.880 3.367 20 0 DGADMP Cc1ccccc1OC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255669217 1106290882 /nfs/dbraw/zinc/29/08/82/1106290882.db2.gz SGZWTAAECJDIJT-OOKSDGMUSA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1OC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255669217 1106290885 /nfs/dbraw/zinc/29/08/85/1106290885.db2.gz SGZWTAAECJDIJT-OOKSDGMUSA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1OC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255669215 1106290947 /nfs/dbraw/zinc/29/09/47/1106290947.db2.gz SGZWTAAECJDIJT-CSNJMZFVSA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1OC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255669215 1106290950 /nfs/dbraw/zinc/29/09/50/1106290950.db2.gz SGZWTAAECJDIJT-CSNJMZFVSA-N 2 1 302.462 3.367 20 0 DGADMP CCC(CC)[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255670908 1106291084 /nfs/dbraw/zinc/29/10/84/1106291084.db2.gz CRHWNZGWZCIEGT-JLYLLQBASA-N 2 1 307.526 3.244 20 0 DGADMP COc1ncccc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255671869 1106291143 /nfs/dbraw/zinc/29/11/43/1106291143.db2.gz WNNOYLOWMQEBHH-YCXXCVGLSA-N 2 1 315.461 3.146 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255668667 1106291241 /nfs/dbraw/zinc/29/12/41/1106291241.db2.gz HBHGESRAYBCCGH-DYDDAFRHSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255668667 1106291243 /nfs/dbraw/zinc/29/12/43/1106291243.db2.gz HBHGESRAYBCCGH-DYDDAFRHSA-N 2 1 322.493 3.103 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001255682281 1106293432 /nfs/dbraw/zinc/29/34/32/1106293432.db2.gz FHYKQVJNMFKDFC-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001255682281 1106293437 /nfs/dbraw/zinc/29/34/37/1106293437.db2.gz FHYKQVJNMFKDFC-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001255682281 1106293439 /nfs/dbraw/zinc/29/34/39/1106293439.db2.gz FHYKQVJNMFKDFC-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001255682281 1106293443 /nfs/dbraw/zinc/29/34/43/1106293443.db2.gz FHYKQVJNMFKDFC-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255702117 1106298210 /nfs/dbraw/zinc/29/82/10/1106298210.db2.gz XPXMNQGQRZSKJG-XUXIUFHCSA-N 2 1 320.399 3.078 20 0 DGADMP c1c(CN2CCCC2)nc2n1CCN(C1CCCCCC1)C2 ZINC001255888711 1106339163 /nfs/dbraw/zinc/33/91/63/1106339163.db2.gz RDHPVBROLIMEGH-UHFFFAOYSA-N 2 1 302.466 3.017 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccnc(Br)c1 ZINC001255945568 1106346379 /nfs/dbraw/zinc/34/63/79/1106346379.db2.gz GPFFIYPPBBCTLW-LBPRGKRZSA-N 2 1 314.271 3.054 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@H](C)CC[NH+](CC)CC)cc1 ZINC001255949977 1106347138 /nfs/dbraw/zinc/34/71/38/1106347138.db2.gz DJJCJQUVIZMGKC-OAHLLOKOSA-N 2 1 306.450 3.073 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@@H](C)CC[NH+](CC)CC)c1 ZINC001255953188 1106347872 /nfs/dbraw/zinc/34/78/72/1106347872.db2.gz YMKSEHQXJISPAK-ZDUSSCGKSA-N 2 1 312.479 3.135 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H](C)CC[NH+](CC)CC)C1 ZINC001255957615 1106349913 /nfs/dbraw/zinc/34/99/13/1106349913.db2.gz SVGBDZZDOKOANE-AEFFLSMTSA-N 2 1 312.498 3.162 20 0 DGADMP CCCc1noc([C@H]2CCC[N@@H+]([C@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964629 1106350849 /nfs/dbraw/zinc/35/08/49/1106350849.db2.gz AEHDUCXAZXUOKE-CVEARBPZSA-N 2 1 322.497 3.322 20 0 DGADMP CCCc1noc([C@H]2CCC[N@H+]([C@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964629 1106350854 /nfs/dbraw/zinc/35/08/54/1106350854.db2.gz AEHDUCXAZXUOKE-CVEARBPZSA-N 2 1 322.497 3.322 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H](C)CC[NH+](CC)CC)C[C@H]1C ZINC001255968596 1106352301 /nfs/dbraw/zinc/35/23/01/1106352301.db2.gz CSDGBSNLKOCTKU-IKGGRYGDSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001255970760 1106352422 /nfs/dbraw/zinc/35/24/22/1106352422.db2.gz FRHQNMFMCOXJGV-FUHWJXTLSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001255970760 1106352426 /nfs/dbraw/zinc/35/24/26/1106352426.db2.gz FRHQNMFMCOXJGV-FUHWJXTLSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255966632 1106352439 /nfs/dbraw/zinc/35/24/39/1106352439.db2.gz LYQTUVOFJMSYMN-HZPDHXFCSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255966632 1106352444 /nfs/dbraw/zinc/35/24/44/1106352444.db2.gz LYQTUVOFJMSYMN-HZPDHXFCSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2cccc(C)n2)CC1 ZINC001255972615 1106352729 /nfs/dbraw/zinc/35/27/29/1106352729.db2.gz VBIHMOWCARKKCW-QGZVFWFLSA-N 2 1 319.493 3.354 20 0 DGADMP C(O[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](C4CC4)CC3)C[C@@H]21)C1CC1 ZINC001256076898 1106365594 /nfs/dbraw/zinc/36/55/94/1106365594.db2.gz DRAKDVCTDZKDJO-LSTHTHJFSA-N 2 1 318.505 3.140 20 0 DGADMP C(O[C@@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](C4CC4)CC3)C[C@@H]21)C1CC1 ZINC001256076898 1106365599 /nfs/dbraw/zinc/36/55/99/1106365599.db2.gz DRAKDVCTDZKDJO-LSTHTHJFSA-N 2 1 318.505 3.140 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001256201593 1106389756 /nfs/dbraw/zinc/38/97/56/1106389756.db2.gz NHDFLUITPBOBSQ-IBGZPJMESA-N 2 1 320.452 3.367 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](c2ccnc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256199063 1106390001 /nfs/dbraw/zinc/39/00/01/1106390001.db2.gz GIWBPDXFXDMEOL-HNNXBMFYSA-N 2 1 313.367 3.235 20 0 DGADMP CCCCCCOC(=O)CCCCC[NH2+]C1CC[NH+](C)CC1 ZINC001256200310 1106390056 /nfs/dbraw/zinc/39/00/56/1106390056.db2.gz PJUDSTINRRHFMJ-UHFFFAOYSA-N 2 1 312.498 3.354 20 0 DGADMP COc1cccc2c1CC[C@@H](CCC[NH2+]C1CC[NH+](C)CC1)C2 ZINC001256201254 1106390331 /nfs/dbraw/zinc/39/03/31/1106390331.db2.gz AICZDZXBEQENIH-MRXNPFEDSA-N 2 1 316.489 3.264 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256300125 1106401840 /nfs/dbraw/zinc/40/18/40/1106401840.db2.gz AYWCCUQVSOIPRW-INIZCTEOSA-N 2 1 321.896 3.383 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CCC(C)C)C2 ZINC001256364647 1106410029 /nfs/dbraw/zinc/41/00/29/1106410029.db2.gz MHNWYBJMFGVYJK-YZGWKJHDSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CCC(C)C)C2 ZINC001256364647 1106410030 /nfs/dbraw/zinc/41/00/30/1106410030.db2.gz MHNWYBJMFGVYJK-YZGWKJHDSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CCC(C)C)C2 ZINC001256364647 1106410032 /nfs/dbraw/zinc/41/00/32/1106410032.db2.gz MHNWYBJMFGVYJK-YZGWKJHDSA-N 2 1 322.537 3.491 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC001256400743 1106415427 /nfs/dbraw/zinc/41/54/27/1106415427.db2.gz BGHAHWAWILPJIX-UHFFFAOYSA-N 2 1 316.489 3.360 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001256403762 1106416136 /nfs/dbraw/zinc/41/61/36/1106416136.db2.gz AKKCFMACWRBEIW-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001256403762 1106416137 /nfs/dbraw/zinc/41/61/37/1106416137.db2.gz AKKCFMACWRBEIW-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP CCOC1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001256432973 1106421539 /nfs/dbraw/zinc/42/15/39/1106421539.db2.gz AQWSBZZRBFMYJY-UHFFFAOYSA-N 2 1 320.452 3.423 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC001256521895 1106432832 /nfs/dbraw/zinc/43/28/32/1106432832.db2.gz AUQYIDCUELNDHF-MJGOQNOKSA-N 2 1 311.473 3.476 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC001256521895 1106432833 /nfs/dbraw/zinc/43/28/33/1106432833.db2.gz AUQYIDCUELNDHF-MJGOQNOKSA-N 2 1 311.473 3.476 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523032 1106432940 /nfs/dbraw/zinc/43/29/40/1106432940.db2.gz LUPHPZJBVJGVTN-BHIYHBOVSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523032 1106432944 /nfs/dbraw/zinc/43/29/44/1106432944.db2.gz LUPHPZJBVJGVTN-BHIYHBOVSA-N 2 1 304.478 3.180 20 0 DGADMP CCCN(CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522164 1106433120 /nfs/dbraw/zinc/43/31/20/1106433120.db2.gz DZYMHBKFAQDFSB-IEBWSBKVSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522164 1106433123 /nfs/dbraw/zinc/43/31/23/1106433123.db2.gz DZYMHBKFAQDFSB-IEBWSBKVSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522164 1106433125 /nfs/dbraw/zinc/43/31/25/1106433125.db2.gz DZYMHBKFAQDFSB-IEBWSBKVSA-N 2 1 303.494 3.100 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519895 1106433214 /nfs/dbraw/zinc/43/32/14/1106433214.db2.gz GMRAOOVOAJWOLP-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256519895 1106433217 /nfs/dbraw/zinc/43/32/17/1106433217.db2.gz GMRAOOVOAJWOLP-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522521 1106433612 /nfs/dbraw/zinc/43/36/12/1106433612.db2.gz KTSZUSOOWNWWIO-QUCCMNQESA-N 3 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522521 1106433613 /nfs/dbraw/zinc/43/36/13/1106433613.db2.gz KTSZUSOOWNWWIO-QUCCMNQESA-N 3 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256527444 1106434538 /nfs/dbraw/zinc/43/45/38/1106434538.db2.gz RYKGPFKLPWTLGI-NXHRZFHOSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256527444 1106434540 /nfs/dbraw/zinc/43/45/40/1106434540.db2.gz RYKGPFKLPWTLGI-NXHRZFHOSA-N 2 1 304.478 3.036 20 0 DGADMP CCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525994 1106434724 /nfs/dbraw/zinc/43/47/24/1106434724.db2.gz HKYGBKNLZMJWRO-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP CCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525994 1106434725 /nfs/dbraw/zinc/43/47/25/1106434725.db2.gz HKYGBKNLZMJWRO-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536797 1106436607 /nfs/dbraw/zinc/43/66/07/1106436607.db2.gz FYTPLXJBSNYVDF-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536797 1106436611 /nfs/dbraw/zinc/43/66/11/1106436611.db2.gz FYTPLXJBSNYVDF-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536797 1106436614 /nfs/dbraw/zinc/43/66/14/1106436614.db2.gz FYTPLXJBSNYVDF-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536797 1106436618 /nfs/dbraw/zinc/43/66/18/1106436618.db2.gz FYTPLXJBSNYVDF-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H](n2ccnc2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537558 1106438013 /nfs/dbraw/zinc/43/80/13/1106438013.db2.gz ODKFDRBKZZFUBP-AEFFLSMTSA-N 2 1 312.461 3.000 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256539773 1106438527 /nfs/dbraw/zinc/43/85/27/1106438527.db2.gz WWKVHTRKXVRYJC-AFYVEPGGSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256539773 1106438529 /nfs/dbraw/zinc/43/85/29/1106438529.db2.gz WWKVHTRKXVRYJC-AFYVEPGGSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCCC3(COC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542581 1106439316 /nfs/dbraw/zinc/43/93/16/1106439316.db2.gz PEHONKGNKWXDFH-HKUYNNGSSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542581 1106439317 /nfs/dbraw/zinc/43/93/17/1106439317.db2.gz PEHONKGNKWXDFH-HKUYNNGSSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542581 1106439320 /nfs/dbraw/zinc/43/93/20/1106439320.db2.gz PEHONKGNKWXDFH-HKUYNNGSSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542581 1106439322 /nfs/dbraw/zinc/43/93/22/1106439322.db2.gz PEHONKGNKWXDFH-HKUYNNGSSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551092 1106441213 /nfs/dbraw/zinc/44/12/13/1106441213.db2.gz PMYYFMTVHRIRQG-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551092 1106441216 /nfs/dbraw/zinc/44/12/16/1106441216.db2.gz PMYYFMTVHRIRQG-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP CC[N@H+](CC(C)(C)O)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554192 1106442541 /nfs/dbraw/zinc/44/25/41/1106442541.db2.gz OKTRSNGVCCCXMZ-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554192 1106442544 /nfs/dbraw/zinc/44/25/44/1106442544.db2.gz OKTRSNGVCCCXMZ-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554192 1106442547 /nfs/dbraw/zinc/44/25/47/1106442547.db2.gz OKTRSNGVCCCXMZ-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554192 1106442549 /nfs/dbraw/zinc/44/25/49/1106442549.db2.gz OKTRSNGVCCCXMZ-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557751 1106444110 /nfs/dbraw/zinc/44/41/10/1106444110.db2.gz OARDALONVVQZHI-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001256557751 1106444112 /nfs/dbraw/zinc/44/41/12/1106444112.db2.gz OARDALONVVQZHI-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557751 1106444114 /nfs/dbraw/zinc/44/41/14/1106444114.db2.gz OARDALONVVQZHI-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557751 1106444116 /nfs/dbraw/zinc/44/41/16/1106444116.db2.gz OARDALONVVQZHI-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(N)n1 ZINC001256569086 1106447382 /nfs/dbraw/zinc/44/73/82/1106447382.db2.gz RCTDGOMSPWQXHM-QGZVFWFLSA-N 2 1 304.482 3.213 20 0 DGADMP C[N@H+]1CCN(C2CC[NH+](C(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC001256568847 1106447488 /nfs/dbraw/zinc/44/74/88/1106447488.db2.gz HSKRGANNLNYNDX-LJQANCHMSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001256569522 1106447791 /nfs/dbraw/zinc/44/77/91/1106447791.db2.gz IHZDTHASWISOON-AWEZNQCLSA-N 2 1 310.379 3.473 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001256569522 1106447792 /nfs/dbraw/zinc/44/77/92/1106447792.db2.gz IHZDTHASWISOON-AWEZNQCLSA-N 2 1 310.379 3.473 20 0 DGADMP Cc1cccnc1O[C@H]1CC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256577500 1106449140 /nfs/dbraw/zinc/44/91/40/1106449140.db2.gz NRBMHBLQWKEETJ-KRWDZBQOSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccnc1O[C@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256577500 1106449142 /nfs/dbraw/zinc/44/91/42/1106449142.db2.gz NRBMHBLQWKEETJ-KRWDZBQOSA-N 2 1 317.477 3.106 20 0 DGADMP CCOC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256607428 1106452349 /nfs/dbraw/zinc/45/23/49/1106452349.db2.gz MVOUCXFKCZXVSZ-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP COc1ccc(CC(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256620024 1106455185 /nfs/dbraw/zinc/45/51/85/1106455185.db2.gz NICSMAUCOLBPSH-AYHJJNSGSA-N 2 1 316.489 3.479 20 0 DGADMP COc1ccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001256621470 1106455793 /nfs/dbraw/zinc/45/57/93/1106455793.db2.gz UCRGRFXHSOEUOE-AYHJJNSGSA-N 2 1 314.473 3.233 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627699 1106456890 /nfs/dbraw/zinc/45/68/90/1106456890.db2.gz JAESLTXEYCWDEI-ONYGOOLBSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627699 1106456893 /nfs/dbraw/zinc/45/68/93/1106456893.db2.gz JAESLTXEYCWDEI-ONYGOOLBSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH+]1CCC([N@H+](C)C3CC3)CC1)C2 ZINC001256655866 1106464432 /nfs/dbraw/zinc/46/44/32/1106464432.db2.gz CIBKSSONBBJMHT-GOSISDBHSA-N 2 1 314.473 3.111 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH+]1CCC([N@@H+](C)C3CC3)CC1)C2 ZINC001256655866 1106464436 /nfs/dbraw/zinc/46/44/36/1106464436.db2.gz CIBKSSONBBJMHT-GOSISDBHSA-N 2 1 314.473 3.111 20 0 DGADMP c1ccc(C[N@@H+](C2CC2)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256695740 1106470591 /nfs/dbraw/zinc/47/05/91/1106470591.db2.gz LDIRTDFNYPKCOO-UHFFFAOYSA-N 2 1 314.473 3.294 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256788526 1106483400 /nfs/dbraw/zinc/48/34/00/1106483400.db2.gz ZTWGHPIXADMSMX-OYSTVDSJSA-N 2 1 300.446 3.122 20 0 DGADMP C[N@@H+](Cc1nc2ccccc2o1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862813 1106499787 /nfs/dbraw/zinc/49/97/87/1106499787.db2.gz QUWCWPJLMZKUNM-UHFFFAOYSA-N 2 1 322.412 3.324 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256900007 1106505289 /nfs/dbraw/zinc/50/52/89/1106505289.db2.gz YXAOSUMOJZVQRD-SFHVURJKSA-N 2 1 315.505 3.292 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256900007 1106505293 /nfs/dbraw/zinc/50/52/93/1106505293.db2.gz YXAOSUMOJZVQRD-SFHVURJKSA-N 2 1 315.505 3.292 20 0 DGADMP CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900118 1106505716 /nfs/dbraw/zinc/50/57/16/1106505716.db2.gz IZSXAALRUFESEC-KRWDZBQOSA-N 2 1 307.526 3.374 20 0 DGADMP [NH3+]C1(CC2CCC2)CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256904341 1106507528 /nfs/dbraw/zinc/50/75/28/1106507528.db2.gz HCCGZXRLJVXNIN-LJQANCHMSA-N 2 1 319.537 3.377 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCCN(C3CCCC3)C2)C1 ZINC001256909966 1106509603 /nfs/dbraw/zinc/50/96/03/1106509603.db2.gz VLYIHHPDOHREBX-MJGOQNOKSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@H]1CCCCN([C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256909966 1106509608 /nfs/dbraw/zinc/50/96/08/1106509608.db2.gz VLYIHHPDOHREBX-MJGOQNOKSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@H]1CCCCN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256909966 1106509611 /nfs/dbraw/zinc/50/96/11/1106509611.db2.gz VLYIHHPDOHREBX-MJGOQNOKSA-N 2 1 307.526 3.234 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256918661 1106511954 /nfs/dbraw/zinc/51/19/54/1106511954.db2.gz QSRWSSIGOFALNL-HXUWFJFHSA-N 2 1 321.553 3.446 20 0 DGADMP CC(C)[NH+]1CCC(CN(C)[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256918661 1106511955 /nfs/dbraw/zinc/51/19/55/1106511955.db2.gz QSRWSSIGOFALNL-HXUWFJFHSA-N 2 1 321.553 3.446 20 0 DGADMP CC(C)[NH+]1CCC(CN(C)[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256918661 1106511960 /nfs/dbraw/zinc/51/19/60/1106511960.db2.gz QSRWSSIGOFALNL-HXUWFJFHSA-N 2 1 321.553 3.446 20 0 DGADMP C[C@H]1CC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257080027 1106534607 /nfs/dbraw/zinc/53/46/07/1106534607.db2.gz JPAZYUUQJDXQSA-LAQRGFTBSA-N 2 1 317.477 3.110 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(Cl)c2)CC1 ZINC001257207773 1106550786 /nfs/dbraw/zinc/55/07/86/1106550786.db2.gz JDCYHGSGTKNNHT-KRWDZBQOSA-N 2 1 310.869 3.226 20 0 DGADMP Cc1cccn2c([C@H](C)[NH2+]C3CC[NH+](C(C)C)CC3)cnc12 ZINC001257210700 1106551847 /nfs/dbraw/zinc/55/18/47/1106551847.db2.gz WQSFRDTYJFERSP-HNNXBMFYSA-N 2 1 300.450 3.166 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C1CCCC1)CC2 ZINC001257351257 1106572559 /nfs/dbraw/zinc/57/25/59/1106572559.db2.gz YJIGSURCNUAKMN-QGZVFWFLSA-N 2 1 318.461 3.278 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001257385174 1106578170 /nfs/dbraw/zinc/57/81/70/1106578170.db2.gz DVKOSUAJIUOGGD-LUKYLMHMSA-N 2 1 310.482 3.103 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001257385174 1106578174 /nfs/dbraw/zinc/57/81/74/1106578174.db2.gz DVKOSUAJIUOGGD-LUKYLMHMSA-N 2 1 310.482 3.103 20 0 DGADMP CCCC[C@H](CC)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001257409958 1106583883 /nfs/dbraw/zinc/58/38/83/1106583883.db2.gz JWRFJVYTSMNSQN-FQEVSTJZSA-N 2 1 317.521 3.492 20 0 DGADMP COC(=O)C1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001257866318 1106636490 /nfs/dbraw/zinc/63/64/90/1106636490.db2.gz LPAKRQULWYEUHB-FOIPXRHGSA-N 2 1 322.493 3.057 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCC4(COC4)CC3)C2)cc1 ZINC001257896144 1106642870 /nfs/dbraw/zinc/64/28/70/1106642870.db2.gz GVEJAQLVDFXZCM-GOSISDBHSA-N 2 1 314.473 3.057 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001257960540 1106652197 /nfs/dbraw/zinc/65/21/97/1106652197.db2.gz XTRZXLLTTKYWBM-COXVUDFISA-N 2 1 322.880 3.352 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001257960543 1106652273 /nfs/dbraw/zinc/65/22/73/1106652273.db2.gz XTRZXLLTTKYWBM-XYPHTWIQSA-N 2 1 322.880 3.352 20 0 DGADMP COC(=O)C[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001258001466 1106655895 /nfs/dbraw/zinc/65/58/95/1106655895.db2.gz RUUFQYRLPYNIGN-SFHVURJKSA-N 2 1 318.461 3.001 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC001258004608 1106656531 /nfs/dbraw/zinc/65/65/31/1106656531.db2.gz HLPLBQAPCASRBW-OAHLLOKOSA-N 2 1 318.461 3.244 20 0 DGADMP COc1cc(OC)cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC001258006523 1106656653 /nfs/dbraw/zinc/65/66/53/1106656653.db2.gz IILOQBCXDRNWBD-HNNXBMFYSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)nc1 ZINC001258007366 1106656787 /nfs/dbraw/zinc/65/67/87/1106656787.db2.gz CZYFHWFJBDZTDS-LJQANCHMSA-N 2 1 317.477 3.251 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001258013974 1106657939 /nfs/dbraw/zinc/65/79/39/1106657939.db2.gz ASDWSURPTVTWBF-KRWDZBQOSA-N 2 1 301.478 3.381 20 0 DGADMP CC(C)C[NH+]1CCC([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258014613 1106658241 /nfs/dbraw/zinc/65/82/41/1106658241.db2.gz OUMDPUXBISZCQO-UHFFFAOYSA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+](C)CCCC(=O)c2cccnc2)CC1 ZINC001258016902 1106659034 /nfs/dbraw/zinc/65/90/34/1106659034.db2.gz NMBBFFLIUBFHPO-UHFFFAOYSA-N 2 1 317.477 3.097 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C)CCCC(=O)c2cccnc2)CC1 ZINC001258016902 1106659036 /nfs/dbraw/zinc/65/90/36/1106659036.db2.gz NMBBFFLIUBFHPO-UHFFFAOYSA-N 2 1 317.477 3.097 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)C2CC[NH+](CC(C)C)CC2)c1 ZINC001258018065 1106659042 /nfs/dbraw/zinc/65/90/42/1106659042.db2.gz UHRJUGIDFCZGGH-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](CC(C)C)CC2)c1 ZINC001258018065 1106659044 /nfs/dbraw/zinc/65/90/44/1106659044.db2.gz UHRJUGIDFCZGGH-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)C1CC[NH+](CC(C)C)CC1 ZINC001258017548 1106659440 /nfs/dbraw/zinc/65/94/40/1106659440.db2.gz LNCYTURXUFRJND-UHFFFAOYSA-N 2 1 303.494 3.457 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C[C@@H]1C ZINC001258020400 1106660201 /nfs/dbraw/zinc/66/02/01/1106660201.db2.gz RNHFUZKAXONFBT-DLBZAZTESA-N 2 1 324.509 3.018 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C[C@@H]1C ZINC001258020402 1106660270 /nfs/dbraw/zinc/66/02/70/1106660270.db2.gz RNHFUZKAXONFBT-IRXDYDNUSA-N 2 1 324.509 3.018 20 0 DGADMP FC1(F)C[C@@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC001258141873 1106679598 /nfs/dbraw/zinc/67/95/98/1106679598.db2.gz FOZVKHPFXHFZAM-AEFFLSMTSA-N 2 1 320.427 3.281 20 0 DGADMP FC1(F)C[C@@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC001258141873 1106679601 /nfs/dbraw/zinc/67/96/01/1106679601.db2.gz FOZVKHPFXHFZAM-AEFFLSMTSA-N 2 1 320.427 3.281 20 0 DGADMP CO[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC001258149832 1106680774 /nfs/dbraw/zinc/68/07/74/1106680774.db2.gz QFCQWHCWIDUYJH-FXAWDEMLSA-N 2 1 316.489 3.193 20 0 DGADMP CO[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC001258149832 1106680777 /nfs/dbraw/zinc/68/07/77/1106680777.db2.gz QFCQWHCWIDUYJH-FXAWDEMLSA-N 2 1 316.489 3.193 20 0 DGADMP CSCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258223003 1106701064 /nfs/dbraw/zinc/70/10/64/1106701064.db2.gz UHPNYVSISBWLJZ-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP CSCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258223003 1106701070 /nfs/dbraw/zinc/70/10/70/1106701070.db2.gz UHPNYVSISBWLJZ-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP CSCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258223003 1106701075 /nfs/dbraw/zinc/70/10/75/1106701075.db2.gz UHPNYVSISBWLJZ-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP COC(=O)CC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001258379866 1106725417 /nfs/dbraw/zinc/72/54/17/1106725417.db2.gz SKYWIOIPKVRAJH-OAHLLOKOSA-N 2 1 310.482 3.057 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC3(CC2)OCC(C)(C)CO3)C1 ZINC001258518355 1106795141 /nfs/dbraw/zinc/79/51/41/1106795141.db2.gz JGCSQSNWPGAZCH-MRXNPFEDSA-N 2 1 324.509 3.020 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600155 1106839992 /nfs/dbraw/zinc/83/99/92/1106839992.db2.gz GVOPZIGNZOOCMB-MJGOQNOKSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600155 1106840000 /nfs/dbraw/zinc/84/00/00/1106840000.db2.gz GVOPZIGNZOOCMB-MJGOQNOKSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600155 1106840006 /nfs/dbraw/zinc/84/00/06/1106840006.db2.gz GVOPZIGNZOOCMB-MJGOQNOKSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600155 1106840011 /nfs/dbraw/zinc/84/00/11/1106840011.db2.gz GVOPZIGNZOOCMB-MJGOQNOKSA-N 2 1 308.510 3.388 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001258706933 1106919739 /nfs/dbraw/zinc/91/97/39/1106919739.db2.gz YLGFMEVCUVCOKB-MSOLQXFVSA-N 2 1 320.477 3.048 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821263 1107005909 /nfs/dbraw/zinc/00/59/09/1107005909.db2.gz VLBOVZJLFKWLBS-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821263 1107005925 /nfs/dbraw/zinc/00/59/25/1107005925.db2.gz VLBOVZJLFKWLBS-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821263 1107005940 /nfs/dbraw/zinc/00/59/40/1107005940.db2.gz VLBOVZJLFKWLBS-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821263 1107005954 /nfs/dbraw/zinc/00/59/54/1107005954.db2.gz VLBOVZJLFKWLBS-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C2CCCCC2)CC1 ZINC001258908576 1107053919 /nfs/dbraw/zinc/05/39/19/1107053919.db2.gz XQONVFCKCHKUBF-SFHVURJKSA-N 2 1 309.542 3.447 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC001321859370 1107451786 /nfs/dbraw/zinc/45/17/86/1107451786.db2.gz XOHYIKMQSLWJIH-MLHJIOFPSA-N 2 1 316.493 3.304 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCC[NH2+]C2)cc1 ZINC001261642366 1107491764 /nfs/dbraw/zinc/49/17/64/1107491764.db2.gz GDYFJVKQPLTNTN-VLFFPSDRSA-N 2 1 300.446 3.060 20 0 DGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCCC1 ZINC001323721398 1108065741 /nfs/dbraw/zinc/06/57/41/1108065741.db2.gz GKMHAANXUKKLLS-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC001319187812 1108356951 /nfs/dbraw/zinc/35/69/51/1108356951.db2.gz VEKBMRQSCKTAFW-QAPCUYQASA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC001319187812 1108356966 /nfs/dbraw/zinc/35/69/66/1108356966.db2.gz VEKBMRQSCKTAFW-QAPCUYQASA-N 2 1 318.461 3.230 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CCN1C ZINC001319948251 1108710076 /nfs/dbraw/zinc/71/00/76/1108710076.db2.gz LJYWXMWWFBDHEA-WMZOPIPTSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@H]1C[C@@H](N(C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948251 1108710082 /nfs/dbraw/zinc/71/00/82/1108710082.db2.gz LJYWXMWWFBDHEA-WMZOPIPTSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@H]1C[C@@H](N(C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948251 1108710092 /nfs/dbraw/zinc/71/00/92/1108710092.db2.gz LJYWXMWWFBDHEA-WMZOPIPTSA-N 2 1 301.478 3.201 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265218224 1108783755 /nfs/dbraw/zinc/78/37/55/1108783755.db2.gz BLBJSJWGMPACNK-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265218224 1108783763 /nfs/dbraw/zinc/78/37/63/1108783763.db2.gz BLBJSJWGMPACNK-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265218224 1108783769 /nfs/dbraw/zinc/78/37/69/1108783769.db2.gz BLBJSJWGMPACNK-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP O[C@@]1(C[NH2+]CCC2=CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000702555034 1109070945 /nfs/dbraw/zinc/07/09/45/1109070945.db2.gz YCKILLLMBCBEGX-HXUWFJFHSA-N 2 1 314.473 3.104 20 0 DGADMP O[C@@]1(C[NH2+]CCC2=CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702555034 1109070951 /nfs/dbraw/zinc/07/09/51/1109070951.db2.gz YCKILLLMBCBEGX-HXUWFJFHSA-N 2 1 314.473 3.104 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[NH2+]C3CCCCC3)c12 ZINC001306927219 1111251219 /nfs/dbraw/zinc/25/12/19/1111251219.db2.gz GUOCGWWMXUKIJS-UHFFFAOYSA-N 2 1 301.438 3.196 20 0 DGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccc(F)cc2s1 ZINC001307163359 1111273341 /nfs/dbraw/zinc/27/33/41/1111273341.db2.gz CXCSYIQINOCIBZ-LBPRGKRZSA-N 2 1 324.469 3.119 20 0 DGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccc(F)cc2s1 ZINC001307163359 1111273343 /nfs/dbraw/zinc/27/33/43/1111273343.db2.gz CXCSYIQINOCIBZ-LBPRGKRZSA-N 2 1 324.469 3.119 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC001307496428 1111306518 /nfs/dbraw/zinc/30/65/18/1111306518.db2.gz SZCOEJMXIBJXTF-AABGKKOBSA-N 2 1 318.505 3.264 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC001307498723 1111306650 /nfs/dbraw/zinc/30/66/50/1111306650.db2.gz IHIYCSSSCLHTHV-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H]1CN(CCC[NH+](CC)CC)CC[N@H+]1Cc1ccccc1 ZINC001307668589 1111325131 /nfs/dbraw/zinc/32/51/31/1111325131.db2.gz CTQGWBPKWZBFPM-FQEVSTJZSA-N 2 1 317.521 3.315 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001308003479 1111365280 /nfs/dbraw/zinc/36/52/80/1111365280.db2.gz VTRWAKWUQXGLQQ-OALUTQOASA-N 2 1 310.526 3.370 20 0 DGADMP C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2)CC[NH+]1C1CCCC1 ZINC001308078591 1111374373 /nfs/dbraw/zinc/37/43/73/1111374373.db2.gz ALEJXDTZPGCCTG-GOSISDBHSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C1CCCC1 ZINC001308078591 1111374377 /nfs/dbraw/zinc/37/43/77/1111374377.db2.gz ALEJXDTZPGCCTG-GOSISDBHSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+]1C1CCCC1 ZINC001308078591 1111374384 /nfs/dbraw/zinc/37/43/84/1111374384.db2.gz ALEJXDTZPGCCTG-GOSISDBHSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CN(CC[N@@H+](C)Cc2ccccc2)CC[NH+]1C1CCCC1 ZINC001308078592 1111374681 /nfs/dbraw/zinc/37/46/81/1111374681.db2.gz ALEJXDTZPGCCTG-SFHVURJKSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C1CCCC1 ZINC001308078592 1111374683 /nfs/dbraw/zinc/37/46/83/1111374683.db2.gz ALEJXDTZPGCCTG-SFHVURJKSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+]1C1CCCC1 ZINC001308078592 1111374687 /nfs/dbraw/zinc/37/46/87/1111374687.db2.gz ALEJXDTZPGCCTG-SFHVURJKSA-N 2 1 315.505 3.067 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]CCCC(C)C)cc2)CC1 ZINC001308204039 1111397621 /nfs/dbraw/zinc/39/76/21/1111397621.db2.gz XIIUAHWDWBMTEX-UHFFFAOYSA-N 2 1 317.521 3.350 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+](CCOC)CC1)c1ccccc1 ZINC001308226055 1111400732 /nfs/dbraw/zinc/40/07/32/1111400732.db2.gz JATJBGNLEMMFRB-GOSISDBHSA-N 2 1 304.478 3.271 20 0 DGADMP Cc1cc(N2CCC([NH2+]Cc3ccccc3C)CC2)nc(C)[nH+]1 ZINC001308292099 1111412303 /nfs/dbraw/zinc/41/23/03/1111412303.db2.gz IGGBOTGFBIMIRB-UHFFFAOYSA-N 2 1 310.445 3.160 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1OC ZINC001308301268 1111413662 /nfs/dbraw/zinc/41/36/62/1111413662.db2.gz YZQBYHVGAKGSGN-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1C(C)(C)C ZINC001308554456 1111443141 /nfs/dbraw/zinc/44/31/41/1111443141.db2.gz GMGBNOJJTNHSAI-LZLYRXPVSA-N 2 1 316.489 3.423 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c(OC(F)F)cc1C ZINC001308553177 1111443261 /nfs/dbraw/zinc/44/32/61/1111443261.db2.gz IFKRWYHQMKHUSP-NUEKZKHPSA-N 2 1 324.415 3.335 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c(OC(F)F)cc1C ZINC001308553177 1111443262 /nfs/dbraw/zinc/44/32/62/1111443262.db2.gz IFKRWYHQMKHUSP-NUEKZKHPSA-N 2 1 324.415 3.335 20 0 DGADMP CC[C@@H](C)[C@@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC001308731700 1111466829 /nfs/dbraw/zinc/46/68/29/1111466829.db2.gz MGMAUUQDHBIGAI-RDTXWAMCSA-N 2 1 306.450 3.294 20 0 DGADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC001308740412 1111468566 /nfs/dbraw/zinc/46/85/66/1111468566.db2.gz KICNLMGRUZSHRG-ZWKOTPCHSA-N 2 1 309.542 3.161 20 0 DGADMP Cc1cccc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c1Br ZINC001308966078 1111501816 /nfs/dbraw/zinc/50/18/16/1111501816.db2.gz MFHNJVHXVLKILO-HNNXBMFYSA-N 2 1 323.278 3.189 20 0 DGADMP Cc1ccc(C2CC([NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)C2)cc1 ZINC000278394868 214140777 /nfs/dbraw/zinc/14/07/77/214140777.db2.gz DCFHQBTWPSGKKM-KKXNLOMOSA-N 2 1 316.489 3.332 20 0 DGADMP Cc1ccc(C2CC([NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)C2)cc1 ZINC000278394868 214140779 /nfs/dbraw/zinc/14/07/79/214140779.db2.gz DCFHQBTWPSGKKM-KKXNLOMOSA-N 2 1 316.489 3.332 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000278479206 214180518 /nfs/dbraw/zinc/18/05/18/214180518.db2.gz KNRSKHPPTFDYMM-KBAYOESNSA-N 2 1 304.503 3.240 20 0 DGADMP CSC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309706182 231101455 /nfs/dbraw/zinc/10/14/55/231101455.db2.gz HTSOAJVOCMMRNO-KRWDZBQOSA-N 2 1 304.503 3.384 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000309702164 231102416 /nfs/dbraw/zinc/10/24/16/231102416.db2.gz GKRDABMRWAJHAS-MJGOQNOKSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309702164 231102417 /nfs/dbraw/zinc/10/24/17/231102417.db2.gz GKRDABMRWAJHAS-MJGOQNOKSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCC2CCOCC2)CC1 ZINC000278719195 214350721 /nfs/dbraw/zinc/35/07/21/214350721.db2.gz PMVSVROQSVGPEA-UHFFFAOYSA-N 2 1 318.461 3.440 20 0 DGADMP COC1(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000319654771 231186712 /nfs/dbraw/zinc/18/67/12/231186712.db2.gz QALKWHZLGTZGOX-KRWDZBQOSA-N 2 1 304.478 3.446 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCN2CCc3ccccc32)c2ccccc21 ZINC000321620411 231204998 /nfs/dbraw/zinc/20/49/98/231204998.db2.gz IICVOFCHJWNPQQ-MOPGFXCFSA-N 2 1 307.441 3.174 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423473220 529453238 /nfs/dbraw/zinc/45/32/38/529453238.db2.gz QPVAFHBRCWMVCE-TVQRCGJNSA-N 2 1 317.658 3.417 20 0 DGADMP CCc1ccccc1CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000444622538 529575639 /nfs/dbraw/zinc/57/56/39/529575639.db2.gz GTNCECFOXHVTOG-UHFFFAOYSA-N 2 1 311.473 3.480 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000246278131 282204186 /nfs/dbraw/zinc/20/41/86/282204186.db2.gz NGKFLMXRDSSZDM-VQIMIIECSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000246278131 282204187 /nfs/dbraw/zinc/20/41/87/282204187.db2.gz NGKFLMXRDSSZDM-VQIMIIECSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000269129733 282205545 /nfs/dbraw/zinc/20/55/45/282205545.db2.gz IYCAXZFCJPQBAD-FQEVSTJZSA-N 2 1 320.440 3.488 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000269129733 282205547 /nfs/dbraw/zinc/20/55/47/282205547.db2.gz IYCAXZFCJPQBAD-FQEVSTJZSA-N 2 1 320.440 3.488 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091321135 282211185 /nfs/dbraw/zinc/21/11/85/282211185.db2.gz IMSNWEVVKFINPP-KBPBESRZSA-N 2 1 311.433 3.065 20 0 DGADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000090116862 185283171 /nfs/dbraw/zinc/28/31/71/185283171.db2.gz IAHJWZHNNCSSAQ-KQTLUZQSSA-N 2 1 310.869 3.426 20 0 DGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccs1 ZINC000092821408 185344098 /nfs/dbraw/zinc/34/40/98/185344098.db2.gz JOOWQIKRQMYFOV-UHFFFAOYSA-N 2 1 316.474 3.277 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccs1 ZINC000092821408 185344099 /nfs/dbraw/zinc/34/40/99/185344099.db2.gz JOOWQIKRQMYFOV-UHFFFAOYSA-N 2 1 316.474 3.277 20 0 DGADMP C[N@@H+](CC1CC(F)(F)C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294846182 529859480 /nfs/dbraw/zinc/85/94/80/529859480.db2.gz BVADJADLZRTTAC-MRXNPFEDSA-N 2 1 308.416 3.486 20 0 DGADMP C[NH+](CC1CC(F)(F)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294846182 529859481 /nfs/dbraw/zinc/85/94/81/529859481.db2.gz BVADJADLZRTTAC-MRXNPFEDSA-N 2 1 308.416 3.486 20 0 DGADMP C[NH+](CC1CC(F)(F)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294846182 529859482 /nfs/dbraw/zinc/85/94/82/529859482.db2.gz BVADJADLZRTTAC-MRXNPFEDSA-N 2 1 308.416 3.486 20 0 DGADMP C[NH2+]CCC[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000435874550 529964734 /nfs/dbraw/zinc/96/47/34/529964734.db2.gz LJHGNWPFHQOFCK-UHFFFAOYSA-N 2 1 316.489 3.389 20 0 DGADMP C[N@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435436109 530015847 /nfs/dbraw/zinc/01/58/47/530015847.db2.gz DUMPAZKGORAGGP-GFCCVEGCSA-N 2 1 307.488 3.446 20 0 DGADMP C[N@@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435436109 530015849 /nfs/dbraw/zinc/01/58/49/530015849.db2.gz DUMPAZKGORAGGP-GFCCVEGCSA-N 2 1 307.488 3.446 20 0 DGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063199864 190696404 /nfs/dbraw/zinc/69/64/04/190696404.db2.gz UKJKZAYZIQRBCH-HNNXBMFYSA-N 2 1 307.507 3.405 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000279726658 215095674 /nfs/dbraw/zinc/09/56/74/215095674.db2.gz MXYXYGRTDUICKE-YJBOKZPZSA-N 2 1 301.434 3.338 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1ccccc1 ZINC000279734783 215102909 /nfs/dbraw/zinc/10/29/09/215102909.db2.gz WMOJCYWERQUDIN-AKHDSKFASA-N 2 1 302.462 3.105 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000130281032 432020303 /nfs/dbraw/zinc/02/03/03/432020303.db2.gz ZGDAPJCOLVAULB-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000130281032 432020306 /nfs/dbraw/zinc/02/03/06/432020306.db2.gz ZGDAPJCOLVAULB-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP CCCOc1ccc2c(c1)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000130281032 432020308 /nfs/dbraw/zinc/02/03/08/432020308.db2.gz ZGDAPJCOLVAULB-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP CCCOc1ccc2c(c1)CC[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000130281032 432020310 /nfs/dbraw/zinc/02/03/10/432020310.db2.gz ZGDAPJCOLVAULB-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2=CCCOC2)C3)cc1 ZINC000287002860 219264965 /nfs/dbraw/zinc/26/49/65/219264965.db2.gz KDQWDTXQQWCJQT-ACDBMABISA-N 2 1 312.457 3.118 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000268762239 186382906 /nfs/dbraw/zinc/38/29/06/186382906.db2.gz HTUVZFREUKKPQK-BMGDILEWSA-N 2 1 318.461 3.119 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000268762239 186382907 /nfs/dbraw/zinc/38/29/07/186382907.db2.gz HTUVZFREUKKPQK-BMGDILEWSA-N 2 1 318.461 3.119 20 0 DGADMP c1cncc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544628 198112762 /nfs/dbraw/zinc/11/27/62/198112762.db2.gz AWDGLFRXQZYJTE-IBGZPJMESA-N 2 1 301.478 3.212 20 0 DGADMP c1cncc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544628 198112763 /nfs/dbraw/zinc/11/27/63/198112763.db2.gz AWDGLFRXQZYJTE-IBGZPJMESA-N 2 1 301.478 3.212 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OCC ZINC000072726271 191223033 /nfs/dbraw/zinc/22/30/33/191223033.db2.gz RIHLXQMTTMSPQP-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000173427913 198213956 /nfs/dbraw/zinc/21/39/56/198213956.db2.gz MBBYDIXPSGWSHV-UONOGXRCSA-N 2 1 324.415 3.116 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000174350403 198323178 /nfs/dbraw/zinc/32/31/78/198323178.db2.gz OSKJIOZFABDUQA-GFCCVEGCSA-N 2 1 307.825 3.279 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000163654722 432040392 /nfs/dbraw/zinc/04/03/92/432040392.db2.gz BJZBZRBZYJKFKM-FRQCXROJSA-N 2 1 304.478 3.432 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114001 283077038 /nfs/dbraw/zinc/07/70/38/283077038.db2.gz ZQTXYSASBDWRDR-CKEIUWERSA-N 2 1 311.901 3.438 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114001 283077040 /nfs/dbraw/zinc/07/70/40/283077040.db2.gz ZQTXYSASBDWRDR-CKEIUWERSA-N 2 1 311.901 3.438 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000132308283 432047971 /nfs/dbraw/zinc/04/79/71/432047971.db2.gz XWEWNSPZZRZPSM-UHOSZYNNSA-N 2 1 309.542 3.207 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000164977518 432053098 /nfs/dbraw/zinc/05/30/98/432053098.db2.gz NWCRESIBDDYXJK-ZQIUZPCESA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000164977518 432053100 /nfs/dbraw/zinc/05/31/00/432053100.db2.gz NWCRESIBDDYXJK-ZQIUZPCESA-N 2 1 318.490 3.215 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000165633104 432056390 /nfs/dbraw/zinc/05/63/90/432056390.db2.gz QFTKLSRYUGUTAQ-OAHLLOKOSA-N 2 1 323.444 3.427 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000165528543 432056500 /nfs/dbraw/zinc/05/65/00/432056500.db2.gz STSYMLNCZJZZSX-KJGCVMFHSA-N 2 1 308.441 3.301 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2OCC)C1 ZINC000081516095 192276791 /nfs/dbraw/zinc/27/67/91/192276791.db2.gz JXRSHXAZENPFLY-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2OCC)C1 ZINC000081516095 192276793 /nfs/dbraw/zinc/27/67/93/192276793.db2.gz JXRSHXAZENPFLY-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2OCC)C1 ZINC000081516095 192276796 /nfs/dbraw/zinc/27/67/96/192276796.db2.gz JXRSHXAZENPFLY-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2OCC)C1 ZINC000081516095 192276799 /nfs/dbraw/zinc/27/67/99/192276799.db2.gz JXRSHXAZENPFLY-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000133318421 432060470 /nfs/dbraw/zinc/06/04/70/432060470.db2.gz FEIFAAMVFYSKEA-MJGOQNOKSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395222 432060617 /nfs/dbraw/zinc/06/06/17/432060617.db2.gz CFBWWXBNBSJCTC-ONCXSQPRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000166395222 432060618 /nfs/dbraw/zinc/06/06/18/432060618.db2.gz CFBWWXBNBSJCTC-ONCXSQPRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000166395222 432060620 /nfs/dbraw/zinc/06/06/20/432060620.db2.gz CFBWWXBNBSJCTC-ONCXSQPRSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000166561717 432061564 /nfs/dbraw/zinc/06/15/64/432061564.db2.gz BGZIZGUCWASHCX-UYAOXDASSA-N 2 1 316.489 3.199 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000179268072 199006907 /nfs/dbraw/zinc/00/69/07/199006907.db2.gz BHDRMPJLSBQPHF-HNNXBMFYSA-N 2 1 324.415 3.292 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000179268072 199006909 /nfs/dbraw/zinc/00/69/09/199006909.db2.gz BHDRMPJLSBQPHF-HNNXBMFYSA-N 2 1 324.415 3.292 20 0 DGADMP C[N@@H+](CCOC(C)(C)C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390160 199027555 /nfs/dbraw/zinc/02/75/55/199027555.db2.gz IAWNTGUKFDTHCI-UHFFFAOYSA-N 2 1 319.493 3.435 20 0 DGADMP CCOCc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000179521155 199049072 /nfs/dbraw/zinc/04/90/72/199049072.db2.gz PVEFZCSXCPKCFW-KRWDZBQOSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000179521155 199049073 /nfs/dbraw/zinc/04/90/73/199049073.db2.gz PVEFZCSXCPKCFW-KRWDZBQOSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000179521155 199049074 /nfs/dbraw/zinc/04/90/74/199049074.db2.gz PVEFZCSXCPKCFW-KRWDZBQOSA-N 2 1 320.477 3.005 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)[C@@H]1C ZINC000449385423 291122953 /nfs/dbraw/zinc/12/29/53/291122953.db2.gz QKJKOYDGCBCKEU-OWSLCNJRSA-N 2 1 324.509 3.064 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000179631453 199067343 /nfs/dbraw/zinc/06/73/43/199067343.db2.gz JFUNOTOIPMNJMG-INIZCTEOSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000179631453 199067345 /nfs/dbraw/zinc/06/73/45/199067345.db2.gz JFUNOTOIPMNJMG-INIZCTEOSA-N 2 1 302.462 3.392 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1F ZINC000180110774 199118406 /nfs/dbraw/zinc/11/84/06/199118406.db2.gz XLEZPWHNYZKNGG-IBGZPJMESA-N 2 1 321.484 3.284 20 0 DGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180421924 199156577 /nfs/dbraw/zinc/15/65/77/199156577.db2.gz HWXWSWOAGJCMCE-BFYDXBDKSA-N 2 1 317.477 3.244 20 0 DGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000180421924 199156579 /nfs/dbraw/zinc/15/65/79/199156579.db2.gz HWXWSWOAGJCMCE-BFYDXBDKSA-N 2 1 317.477 3.244 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(Br)c1 ZINC000237371327 202246920 /nfs/dbraw/zinc/24/69/20/202246920.db2.gz IDXCAEUMPGESSH-LBPRGKRZSA-N 2 1 322.250 3.380 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCC[NH2+]C1 ZINC000414901375 236939117 /nfs/dbraw/zinc/93/91/17/236939117.db2.gz JQIMAEMDZSNZOD-OAHLLOKOSA-N 2 1 318.795 3.421 20 0 DGADMP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415019535 237008844 /nfs/dbraw/zinc/00/88/44/237008844.db2.gz FCYWMYCHAKCKTC-IYARVYRRSA-N 3 1 315.505 3.006 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1C ZINC000415068944 237048624 /nfs/dbraw/zinc/04/86/24/237048624.db2.gz RVWULOXANHFXMF-KSSFIOAISA-N 2 1 317.477 3.128 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C1CCCC1 ZINC000415067825 237049535 /nfs/dbraw/zinc/04/95/35/237049535.db2.gz PYFBQXWGBDGKMM-AWEZNQCLSA-N 2 1 304.331 3.452 20 0 DGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)s2)cc1 ZINC000415102152 237076042 /nfs/dbraw/zinc/07/60/42/237076042.db2.gz AISMPFPRUJIUEL-MRXNPFEDSA-N 2 1 316.470 3.273 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCCO[C@H](C[NH3+])C3)s2)cc1 ZINC000415102152 237076051 /nfs/dbraw/zinc/07/60/51/237076051.db2.gz AISMPFPRUJIUEL-MRXNPFEDSA-N 2 1 316.470 3.273 20 0 DGADMP Fc1ccccc1OC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415085349 237067899 /nfs/dbraw/zinc/06/78/99/237067899.db2.gz SIVLTRBRFZTIRY-SFHVURJKSA-N 2 1 314.404 3.287 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[NH2+]C3)s2)cs1 ZINC000415084739 237068762 /nfs/dbraw/zinc/06/87/62/237068762.db2.gz HNBTUAXNLVHCNX-GFCCVEGCSA-N 2 1 307.488 3.064 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000415127971 237099283 /nfs/dbraw/zinc/09/92/83/237099283.db2.gz NQGVUEWAPSNWMY-TZMCWYRMSA-N 2 1 318.852 3.147 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000237527073 202272457 /nfs/dbraw/zinc/27/24/57/202272457.db2.gz WAZKEVIQDUPLFN-OAHLLOKOSA-N 2 1 323.444 3.316 20 0 DGADMP C[C@@H](C[NH2+][C@@H](c1cncc(F)c1)C1CC1)C[NH+]1CCCCC1 ZINC000281101772 216079770 /nfs/dbraw/zinc/07/97/70/216079770.db2.gz BNSFODIQNZWNCC-KBXCAEBGSA-N 2 1 305.441 3.383 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCOCC1 ZINC000189204203 200363903 /nfs/dbraw/zinc/36/39/03/200363903.db2.gz RUSRXEHVILTBKD-RTBURBONSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1ccc(F)cc1 ZINC000424376473 237895965 /nfs/dbraw/zinc/89/59/65/237895965.db2.gz PIWBXMPBLZIYOC-JBBXEZCESA-N 2 1 316.424 3.240 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424384191 237896487 /nfs/dbraw/zinc/89/64/87/237896487.db2.gz UWXLRKMZMWZEPS-AWEZNQCLSA-N 2 1 318.509 3.219 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033408 238007218 /nfs/dbraw/zinc/00/72/18/238007218.db2.gz MNZVUTQBUIXWNC-MJGOQNOKSA-N 2 1 310.441 3.293 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCC2 ZINC000246060132 432090384 /nfs/dbraw/zinc/09/03/84/432090384.db2.gz BGZIZGUCWASHCX-AZUAARDMSA-N 2 1 316.489 3.199 20 0 DGADMP C[C@@H]1CN(c2cccc(F)c2)CCN1CC[C@H]1CCCC[N@H+]1C ZINC000429239999 238044580 /nfs/dbraw/zinc/04/45/80/238044580.db2.gz SICCZLLYXJXBFR-SJLPKXTDSA-N 2 1 319.468 3.211 20 0 DGADMP FC1(F)CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000429447835 238051836 /nfs/dbraw/zinc/05/18/36/238051836.db2.gz KJWBPLINRBSLKJ-BHYGNILZSA-N 2 1 306.400 3.284 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000246058270 432090578 /nfs/dbraw/zinc/09/05/78/432090578.db2.gz DCWHTBYFPOCGDJ-CMPLNLGQSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000246058270 432090582 /nfs/dbraw/zinc/09/05/82/432090582.db2.gz DCWHTBYFPOCGDJ-CMPLNLGQSA-N 2 1 317.296 3.331 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000429531146 238053750 /nfs/dbraw/zinc/05/37/50/238053750.db2.gz AOHBYCBSHIUSNI-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000429531144 238053805 /nfs/dbraw/zinc/05/38/05/238053805.db2.gz AOHBYCBSHIUSNI-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP c1sc(C2CCCC2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034900 238092946 /nfs/dbraw/zinc/09/29/46/238092946.db2.gz PJRWOKUUPXKVCN-UHFFFAOYSA-N 2 1 305.491 3.376 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545369 238079399 /nfs/dbraw/zinc/07/93/99/238079399.db2.gz QAIPBRHNTMKZQS-JSGCOSHPSA-N 2 1 303.381 3.040 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545369 238079400 /nfs/dbraw/zinc/07/94/00/238079400.db2.gz QAIPBRHNTMKZQS-JSGCOSHPSA-N 2 1 303.381 3.040 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430625308 238081759 /nfs/dbraw/zinc/08/17/59/238081759.db2.gz JWFGRUYYPIVVBP-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1[NH3+] ZINC000430937840 238090485 /nfs/dbraw/zinc/09/04/85/238090485.db2.gz FQYIHBCFOQETEV-WBVHZDCISA-N 2 1 320.440 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430938367 238090488 /nfs/dbraw/zinc/09/04/88/238090488.db2.gz BNUAYOFGIQPLLF-IUODEOHRSA-N 2 1 316.367 3.143 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430965171 238091253 /nfs/dbraw/zinc/09/12/53/238091253.db2.gz HUSRRIZQIBNCNB-QGZVFWFLSA-N 2 1 314.404 3.185 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430969702 238091278 /nfs/dbraw/zinc/09/12/78/238091278.db2.gz DRSJSATVDKGDTN-HNAYVOBHSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430969702 238091280 /nfs/dbraw/zinc/09/12/80/238091280.db2.gz DRSJSATVDKGDTN-HNAYVOBHSA-N 2 1 323.440 3.108 20 0 DGADMP Clc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134947098 432090853 /nfs/dbraw/zinc/09/08/53/432090853.db2.gz VXWYAGXRWJHHPA-CZUORRHYSA-N 2 1 305.853 3.184 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190953222 200608601 /nfs/dbraw/zinc/60/86/01/200608601.db2.gz HBPHJKJGEFJNFV-HNNXBMFYSA-N 2 1 313.445 3.406 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCO1 ZINC000432369177 238126173 /nfs/dbraw/zinc/12/61/73/238126173.db2.gz UHJVTAABKPNIOZ-QLFBSQMISA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCO1 ZINC000432369177 238126175 /nfs/dbraw/zinc/12/61/75/238126175.db2.gz UHJVTAABKPNIOZ-QLFBSQMISA-N 2 1 322.415 3.198 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2F)CC1 ZINC000271916148 209320581 /nfs/dbraw/zinc/32/05/81/209320581.db2.gz YUYQZFZEBJUKLT-KDOFPFPSSA-N 2 1 308.441 3.366 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cc2)n1 ZINC000435604775 238325926 /nfs/dbraw/zinc/32/59/26/238325926.db2.gz BKWDPXPKVVXGOZ-GOSISDBHSA-N 2 1 312.461 3.063 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000271896454 209305484 /nfs/dbraw/zinc/30/54/84/209305484.db2.gz UEUVBDWKPWKNQC-LBPRGKRZSA-N 2 1 314.351 3.498 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1Cl ZINC000292788127 223247274 /nfs/dbraw/zinc/24/72/74/223247274.db2.gz HIUPYGREVMNUQT-UHFFFAOYSA-N 2 1 323.868 3.072 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000271874136 209286815 /nfs/dbraw/zinc/28/68/15/209286815.db2.gz NMCRSJVHKLZQOV-LBPRGKRZSA-N 2 1 309.251 3.362 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000268504855 432097904 /nfs/dbraw/zinc/09/79/04/432097904.db2.gz ARWADMHKIKZJEV-SFHVURJKSA-N 2 1 301.478 3.073 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2ccccc2)CC1 ZINC000268504855 432097901 /nfs/dbraw/zinc/09/79/01/432097901.db2.gz ARWADMHKIKZJEV-SFHVURJKSA-N 2 1 301.478 3.073 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000268504855 432097906 /nfs/dbraw/zinc/09/79/06/432097906.db2.gz ARWADMHKIKZJEV-SFHVURJKSA-N 2 1 301.478 3.073 20 0 DGADMP CCOc1ccc2c(c1)CCN(CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000441075938 239006691 /nfs/dbraw/zinc/00/66/91/239006691.db2.gz CHTWRNZUKYVILL-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763282 239121274 /nfs/dbraw/zinc/12/12/74/239121274.db2.gz INXRDAUVRVNKPK-JTDSTZFVSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763282 239121278 /nfs/dbraw/zinc/12/12/78/239121278.db2.gz INXRDAUVRVNKPK-JTDSTZFVSA-N 2 1 323.440 3.036 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OCC ZINC000442917696 239151546 /nfs/dbraw/zinc/15/15/46/239151546.db2.gz BEIDWQSPWMMRJO-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C2CCCCC2)n1 ZINC000442929557 239154829 /nfs/dbraw/zinc/15/48/29/239154829.db2.gz RPQJTPXKFIJIKF-HNNXBMFYSA-N 2 1 304.482 3.029 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449066850 240000327 /nfs/dbraw/zinc/00/03/27/240000327.db2.gz GHFQZTGMSBUZNK-UHFFFAOYSA-N 2 1 301.409 3.352 20 0 DGADMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000449130792 240031506 /nfs/dbraw/zinc/03/15/06/240031506.db2.gz HURIJZUXEHKOGA-LJQANCHMSA-N 2 1 309.542 3.209 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449133516 240032720 /nfs/dbraw/zinc/03/27/20/240032720.db2.gz YSJDNHQCPCGRBN-LJQANCHMSA-N 2 1 321.553 3.353 20 0 DGADMP Cc1cccc(CC[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000449143257 240037524 /nfs/dbraw/zinc/03/75/24/240037524.db2.gz PPRBAMOMVPOVHQ-UHFFFAOYSA-N 2 1 309.457 3.500 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000449084076 240007972 /nfs/dbraw/zinc/00/79/72/240007972.db2.gz WJKITFRAWCZRIY-SOTJZCEJSA-N 2 1 306.494 3.473 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000449084076 240007976 /nfs/dbraw/zinc/00/79/76/240007976.db2.gz WJKITFRAWCZRIY-SOTJZCEJSA-N 2 1 306.494 3.473 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000449086542 240010900 /nfs/dbraw/zinc/01/09/00/240010900.db2.gz CCELISXNUAZQLW-ISXWCOSWSA-N 2 1 306.494 3.473 20 0 DGADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000449235144 240083313 /nfs/dbraw/zinc/08/33/13/240083313.db2.gz TWGSYIHZBSEUSW-OALUTQOASA-N 2 1 316.489 3.312 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449250416 240091427 /nfs/dbraw/zinc/09/14/27/240091427.db2.gz LVDMVOADQQWTAT-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP Fc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449399835 240173557 /nfs/dbraw/zinc/17/35/57/240173557.db2.gz DTZBINVRWTVQPE-QWHCGFSZSA-N 2 1 312.816 3.074 20 0 DGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560135 240290172 /nfs/dbraw/zinc/29/01/72/240290172.db2.gz GPYRSXDRYSFWGW-RLHTVVPMSA-N 2 1 302.462 3.402 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560839 240291102 /nfs/dbraw/zinc/29/11/02/240291102.db2.gz QBKGJNACRDNEIG-PANBIXPWSA-N 3 1 319.537 3.244 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+]Cc3c[nH+]ccc3N(C)C)C2)c1 ZINC000449620326 240324276 /nfs/dbraw/zinc/32/42/76/240324276.db2.gz UOASUHLYBKBXIZ-JCNLHEQBSA-N 2 1 311.429 3.192 20 0 DGADMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@@H](O)CC ZINC000449641341 240339104 /nfs/dbraw/zinc/33/91/04/240339104.db2.gz CYDWNWJUFTVOIF-XWIAVFTESA-N 2 1 301.434 3.381 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000449724184 240384305 /nfs/dbraw/zinc/38/43/05/240384305.db2.gz MLWIDWMCVLXMQM-AEFFLSMTSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000449724184 240384308 /nfs/dbraw/zinc/38/43/08/240384308.db2.gz MLWIDWMCVLXMQM-AEFFLSMTSA-N 2 1 318.505 3.426 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000171141680 432105954 /nfs/dbraw/zinc/10/59/54/432105954.db2.gz PZSBLTBWMXURHP-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000451151655 241023528 /nfs/dbraw/zinc/02/35/28/241023528.db2.gz XKMIKHVATPIRFL-SCNSOLTMSA-N 2 1 316.489 3.299 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2F)s1)C[NH+](C)C ZINC000451172936 241030206 /nfs/dbraw/zinc/03/02/06/241030206.db2.gz PZESZXSBYZNAFV-GFCCVEGCSA-N 2 1 307.438 3.237 20 0 DGADMP C[N@H+](CCC[NH+]1CCCCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451329806 241084695 /nfs/dbraw/zinc/08/46/95/241084695.db2.gz KYHPRQWRHHUVAG-QGZVFWFLSA-N 2 1 310.869 3.181 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451329806 241084702 /nfs/dbraw/zinc/08/47/02/241084702.db2.gz KYHPRQWRHHUVAG-QGZVFWFLSA-N 2 1 310.869 3.181 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452058243 241307595 /nfs/dbraw/zinc/30/75/95/241307595.db2.gz HXGBVAXETVSSIT-INIZCTEOSA-N 2 1 319.474 3.137 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(OC)c1 ZINC000453413787 241774295 /nfs/dbraw/zinc/77/42/95/241774295.db2.gz IEQFOMGOTRDLID-AWEZNQCLSA-N 2 1 306.450 3.229 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092795336 284008689 /nfs/dbraw/zinc/00/86/89/284008689.db2.gz BPIQHAIYUYRWEW-YSTOQKLRSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000093844555 284014295 /nfs/dbraw/zinc/01/42/95/284014295.db2.gz ORVJBYVPHRIHIG-INIZCTEOSA-N 2 1 320.477 3.248 20 0 DGADMP CC1(C)CC([NH2+]Cc2cnc3ccc(Cl)cn23)CC(C)(C)[NH2+]1 ZINC000275173527 212172475 /nfs/dbraw/zinc/17/24/75/212172475.db2.gz LOXZQRVYTYBNHR-UHFFFAOYSA-N 2 1 320.868 3.387 20 0 DGADMP CCCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253763 193181446 /nfs/dbraw/zinc/18/14/46/193181446.db2.gz YJEWKFZNJOTFRN-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253763 193181448 /nfs/dbraw/zinc/18/14/48/193181448.db2.gz YJEWKFZNJOTFRN-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253763 193181449 /nfs/dbraw/zinc/18/14/49/193181449.db2.gz YJEWKFZNJOTFRN-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253763 193181451 /nfs/dbraw/zinc/18/14/51/193181451.db2.gz YJEWKFZNJOTFRN-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000092745652 193188008 /nfs/dbraw/zinc/18/80/08/193188008.db2.gz ISRGJKDMRCMMOT-MJGOQNOKSA-N 2 1 309.457 3.297 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000093006854 193193113 /nfs/dbraw/zinc/19/31/13/193193113.db2.gz UMPIYMCVLCHIAZ-UHFFFAOYSA-N 2 1 314.473 3.177 20 0 DGADMP Cn1cccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093006880 193193669 /nfs/dbraw/zinc/19/36/69/193193669.db2.gz ZEMBSTHKSQEFFO-UHFFFAOYSA-N 2 1 311.473 3.369 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000275117961 212130485 /nfs/dbraw/zinc/13/04/85/212130485.db2.gz JUYDNWKSVWMFJV-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000275117961 212130489 /nfs/dbraw/zinc/13/04/89/212130489.db2.gz JUYDNWKSVWMFJV-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000469080657 244083950 /nfs/dbraw/zinc/08/39/50/244083950.db2.gz PZATWEPYTBJLMQ-QYZOEREBSA-N 2 1 309.542 3.207 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000470002592 244140978 /nfs/dbraw/zinc/14/09/78/244140978.db2.gz KFCNLEUUWDWOSQ-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000470002592 244140982 /nfs/dbraw/zinc/14/09/82/244140982.db2.gz KFCNLEUUWDWOSQ-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089118 193202093 /nfs/dbraw/zinc/20/20/93/193202093.db2.gz JLUCFVZDBZOGBR-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000472350431 244301883 /nfs/dbraw/zinc/30/18/83/244301883.db2.gz QFFUZTGMXWKACH-WOJBJXKFSA-N 2 1 309.457 3.254 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000246324702 432120188 /nfs/dbraw/zinc/12/01/88/432120188.db2.gz FQHQUUNDPSZPFX-ICSRJNTNSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000119620976 284147204 /nfs/dbraw/zinc/14/72/04/284147204.db2.gz KBEKUMVBPWSKLD-SFHVURJKSA-N 2 1 324.428 3.176 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000275028078 212081748 /nfs/dbraw/zinc/08/17/48/212081748.db2.gz QWIMCXBUILDAFB-LLVKDONJSA-N 2 1 308.223 3.076 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093303248 193226019 /nfs/dbraw/zinc/22/60/19/193226019.db2.gz RKWDGBTVIPWCEQ-KRWDZBQOSA-N 2 1 315.461 3.245 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093303248 193226020 /nfs/dbraw/zinc/22/60/20/193226020.db2.gz RKWDGBTVIPWCEQ-KRWDZBQOSA-N 2 1 315.461 3.245 20 0 DGADMP FC(F)COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597208 193272188 /nfs/dbraw/zinc/27/21/88/193272188.db2.gz BJMKGRJGRLBESJ-INIZCTEOSA-N 2 1 324.415 3.248 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597208 193272190 /nfs/dbraw/zinc/27/21/90/193272190.db2.gz BJMKGRJGRLBESJ-INIZCTEOSA-N 2 1 324.415 3.248 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770236 193303097 /nfs/dbraw/zinc/30/30/97/193303097.db2.gz FGTWJKPTAVXAPL-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770236 193303098 /nfs/dbraw/zinc/30/30/98/193303098.db2.gz FGTWJKPTAVXAPL-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770236 193303100 /nfs/dbraw/zinc/30/31/00/193303100.db2.gz FGTWJKPTAVXAPL-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770236 193303102 /nfs/dbraw/zinc/30/31/02/193303102.db2.gz FGTWJKPTAVXAPL-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770311 193304165 /nfs/dbraw/zinc/30/41/65/193304165.db2.gz ATIKMPAQBUZZFO-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770311 193304167 /nfs/dbraw/zinc/30/41/67/193304167.db2.gz ATIKMPAQBUZZFO-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770311 193304168 /nfs/dbraw/zinc/30/41/68/193304168.db2.gz ATIKMPAQBUZZFO-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770311 193304170 /nfs/dbraw/zinc/30/41/70/193304170.db2.gz ATIKMPAQBUZZFO-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1n[nH]cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093844609 193317651 /nfs/dbraw/zinc/31/76/51/193317651.db2.gz MQZKGCYOTKYNBI-OAHLLOKOSA-N 2 1 304.482 3.195 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093981791 193333803 /nfs/dbraw/zinc/33/38/03/193333803.db2.gz SOMGYKXMZVLTFS-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093981791 193333805 /nfs/dbraw/zinc/33/38/05/193333805.db2.gz SOMGYKXMZVLTFS-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCCC[C@@H]1C ZINC000482163635 244789364 /nfs/dbraw/zinc/78/93/64/244789364.db2.gz LQGANLPHJNPQIW-IRXDYDNUSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCCC[C@@H]1C ZINC000482163635 244789369 /nfs/dbraw/zinc/78/93/69/244789369.db2.gz LQGANLPHJNPQIW-IRXDYDNUSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000246354674 432121544 /nfs/dbraw/zinc/12/15/44/432121544.db2.gz IAHJWZHNNCSSAQ-DSJMHWKBSA-N 2 1 310.869 3.426 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000487313900 245049871 /nfs/dbraw/zinc/04/98/71/245049871.db2.gz DTAALRZHXWLHKS-OGWHTMIXSA-N 2 1 318.530 3.486 20 0 DGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124399911 284258474 /nfs/dbraw/zinc/25/84/74/284258474.db2.gz CHAKRRPQYIDREL-RTBURBONSA-N 2 1 309.542 3.064 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000124711229 284262963 /nfs/dbraw/zinc/26/29/63/284262963.db2.gz KKITWAWAOBGDKY-VQIMIIECSA-N 2 1 304.478 3.336 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000125480450 284276963 /nfs/dbraw/zinc/27/69/63/284276963.db2.gz MZZLESKHMYSTFI-UHFFFAOYSA-N 2 1 306.498 3.026 20 0 DGADMP C[C@H]([NH2+]CCc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274894729 212016746 /nfs/dbraw/zinc/01/67/46/212016746.db2.gz KABIWPCVJFUHOY-DOTOQJQBSA-N 2 1 315.486 3.186 20 0 DGADMP COc1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2c1 ZINC000126371945 284302326 /nfs/dbraw/zinc/30/23/26/284302326.db2.gz YNCUNMBBJSHLMN-HUUCEWRRSA-N 2 1 302.418 3.404 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000282578568 217102272 /nfs/dbraw/zinc/10/22/72/217102272.db2.gz ZKZMUSLWPPCWCD-WDSOQIARSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000282578568 217102276 /nfs/dbraw/zinc/10/22/76/217102276.db2.gz ZKZMUSLWPPCWCD-WDSOQIARSA-N 2 1 316.489 3.302 20 0 DGADMP Fc1ccc2[nH]cc(CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000282704933 217189676 /nfs/dbraw/zinc/18/96/76/217189676.db2.gz LBKQDVWWFLOPEF-SJORKVTESA-N 2 1 315.436 3.456 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271706065 209141879 /nfs/dbraw/zinc/14/18/79/209141879.db2.gz MCSFHOYCMSBWJY-LLVKDONJSA-N 2 1 317.824 3.082 20 0 DGADMP c1c[nH]c([C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc2)n1 ZINC000127455931 284340588 /nfs/dbraw/zinc/34/05/88/284340588.db2.gz BJSVCPQWLXQGNM-RTBURBONSA-N 2 1 324.472 3.353 20 0 DGADMP CC[NH+]1CCC([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC000274593809 211742949 /nfs/dbraw/zinc/74/29/49/211742949.db2.gz OBHSFTMMGGUJBV-LJQANCHMSA-N 2 1 320.477 3.235 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000020306433 182205056 /nfs/dbraw/zinc/20/50/56/182205056.db2.gz FRXYZHXQFDZGSK-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP CC(C)[N@@H+](C)CCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000268780390 432133410 /nfs/dbraw/zinc/13/34/10/432133410.db2.gz SXOJPFLOSDEAGY-UHFFFAOYSA-N 3 1 317.521 3.013 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC000494905481 246208092 /nfs/dbraw/zinc/20/80/92/246208092.db2.gz UPNZGLBQNWRDOA-SAGLZJIZSA-N 2 1 316.489 3.430 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@H+](C/C=C\c3ccncc3)C2)[nH+]1 ZINC000494947697 246213547 /nfs/dbraw/zinc/21/35/47/246213547.db2.gz AWPSDQUHPPPGAK-AJNOYIKESA-N 2 1 308.429 3.232 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C/C=C\c3ccncc3)C2)[nH+]1 ZINC000494947697 246213551 /nfs/dbraw/zinc/21/35/51/246213551.db2.gz AWPSDQUHPPPGAK-AJNOYIKESA-N 2 1 308.429 3.232 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268803226 432138945 /nfs/dbraw/zinc/13/89/45/432138945.db2.gz ZIVBESJENQYFGV-ZYSHUDEJSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268803226 432138949 /nfs/dbraw/zinc/13/89/49/432138949.db2.gz ZIVBESJENQYFGV-ZYSHUDEJSA-N 2 1 302.462 3.233 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268811097 432138998 /nfs/dbraw/zinc/13/89/98/432138998.db2.gz AXBXOXNASBYIFO-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268811097 432139000 /nfs/dbraw/zinc/13/90/00/432139000.db2.gz AXBXOXNASBYIFO-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC3C[C@@H](C)C[C@H](C)C3)C2)CC1 ZINC000246508725 432140928 /nfs/dbraw/zinc/14/09/28/432140928.db2.gz SQAFXKSODLPJDS-CMKODMSKSA-N 2 1 321.553 3.161 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000268868302 432145788 /nfs/dbraw/zinc/14/57/88/432145788.db2.gz GYGDFFJAQWZKMZ-DLTLXFJOSA-N 2 1 310.869 3.346 20 0 DGADMP CCCc1nc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cs1 ZINC000136089281 432146023 /nfs/dbraw/zinc/14/60/23/432146023.db2.gz OROUMFYGNIPGOY-DZGCQCFKSA-N 2 1 304.463 3.375 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1sccc1Br ZINC000274035420 211296038 /nfs/dbraw/zinc/29/60/38/211296038.db2.gz CBSPDIWRQZSKSL-UHFFFAOYSA-N 2 1 314.252 3.195 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000105443762 194103901 /nfs/dbraw/zinc/10/39/01/194103901.db2.gz KDSGINJOXFUXNS-AWEZNQCLSA-N 2 1 317.433 3.025 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000105456627 194104328 /nfs/dbraw/zinc/10/43/28/194104328.db2.gz NVYNJPFYAMUKTB-INIZCTEOSA-N 2 1 300.446 3.172 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105443257 194105005 /nfs/dbraw/zinc/10/50/05/194105005.db2.gz RQYOHWJTHHVBLF-HNNXBMFYSA-N 2 1 323.444 3.112 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000268837179 207002433 /nfs/dbraw/zinc/00/24/33/207002433.db2.gz UURVKDRGROPBJZ-SNVBAGLBSA-N 2 1 313.323 3.283 20 0 DGADMP CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268843584 207010001 /nfs/dbraw/zinc/01/00/01/207010001.db2.gz AWHOXATVYDTIAX-RDTXWAMCSA-N 2 1 301.434 3.382 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846029 207011991 /nfs/dbraw/zinc/01/19/91/207011991.db2.gz VLTJSDJORCXKCQ-JFGNBEQYSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846029 207011995 /nfs/dbraw/zinc/01/19/95/207011995.db2.gz VLTJSDJORCXKCQ-JFGNBEQYSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846024 207012491 /nfs/dbraw/zinc/01/24/91/207012491.db2.gz VLTJSDJORCXKCQ-CKYFFXLPSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846024 207012495 /nfs/dbraw/zinc/01/24/95/207012495.db2.gz VLTJSDJORCXKCQ-CKYFFXLPSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000268857693 207026289 /nfs/dbraw/zinc/02/62/89/207026289.db2.gz CXMMLQJTJBEBKD-VVWQDTPRSA-N 2 1 318.505 3.336 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000110644431 194345764 /nfs/dbraw/zinc/34/57/64/194345764.db2.gz FCRNOGNWVUQJSP-SNVBAGLBSA-N 2 1 315.230 3.147 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccco1 ZINC000268899792 207070019 /nfs/dbraw/zinc/07/00/19/207070019.db2.gz BDLFOCKXFBGOCT-OAHLLOKOSA-N 2 1 314.429 3.087 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCC2 ZINC000268919702 207086835 /nfs/dbraw/zinc/08/68/35/207086835.db2.gz OOSGGFAHAQSMPY-OXJNMPFZSA-N 2 1 316.489 3.063 20 0 DGADMP C[C@H](C[NH2+]Cc1csc(Br)c1)C[NH+]1CCCC1 ZINC000057994514 184065638 /nfs/dbraw/zinc/06/56/38/184065638.db2.gz HGKAPLSJTQBMKE-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000269070694 207220197 /nfs/dbraw/zinc/22/01/97/207220197.db2.gz ZYQKILPLFHEADG-JLCFBVMHSA-N 2 1 320.502 3.092 20 0 DGADMP CCOc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OC(F)F ZINC000063274552 184280402 /nfs/dbraw/zinc/28/04/02/184280402.db2.gz JJGHSYARNIALSQ-GFCCVEGCSA-N 2 1 316.392 3.117 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130873 207264635 /nfs/dbraw/zinc/26/46/35/207264635.db2.gz KNSKYEAOPOHIMA-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130873 207264640 /nfs/dbraw/zinc/26/46/40/207264640.db2.gz KNSKYEAOPOHIMA-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130873 207264645 /nfs/dbraw/zinc/26/46/45/207264645.db2.gz KNSKYEAOPOHIMA-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP CCCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000105442878 252625463 /nfs/dbraw/zinc/62/54/63/252625463.db2.gz ZZEVTNLYIQPAHR-HNNXBMFYSA-N 2 1 301.434 3.406 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000248870261 285034427 /nfs/dbraw/zinc/03/44/27/285034427.db2.gz JSJBZMMNZGKTST-RDJZCZTQSA-N 2 1 322.468 3.287 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000248870261 285034433 /nfs/dbraw/zinc/03/44/33/285034433.db2.gz JSJBZMMNZGKTST-RDJZCZTQSA-N 2 1 322.468 3.287 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1Cl ZINC000423006464 532994892 /nfs/dbraw/zinc/99/48/92/532994892.db2.gz VILSLBPDIIUZAU-PBHICJAKSA-N 2 1 318.848 3.267 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000178219921 533009701 /nfs/dbraw/zinc/00/97/01/533009701.db2.gz NTHSJBOLOAYLAJ-CABCVRRESA-N 2 1 323.440 3.092 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000178219921 533009706 /nfs/dbraw/zinc/00/97/06/533009706.db2.gz NTHSJBOLOAYLAJ-CABCVRRESA-N 2 1 323.440 3.092 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000249113171 285056862 /nfs/dbraw/zinc/05/68/62/285056862.db2.gz YFMTXCDQBXJBJM-DZGCQCFKSA-N 2 1 312.404 3.150 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249185194 285062198 /nfs/dbraw/zinc/06/21/98/285062198.db2.gz KJEBZPYLKZQFPY-IPMKNSEASA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000336855006 253008766 /nfs/dbraw/zinc/00/87/66/253008766.db2.gz TZFCVGSYTCLYDD-KBPBESRZSA-N 2 1 324.852 3.074 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337071325 253043359 /nfs/dbraw/zinc/04/33/59/253043359.db2.gz NINVPGRTKHZNDO-AZUAARDMSA-N 2 1 310.441 3.130 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000337369870 253099165 /nfs/dbraw/zinc/09/91/65/253099165.db2.gz OPHFHSUBMRMWMX-YVEFUNNKSA-N 2 1 303.837 3.238 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000337369867 253099439 /nfs/dbraw/zinc/09/94/39/253099439.db2.gz OPHFHSUBMRMWMX-PXAZEXFGSA-N 2 1 303.837 3.238 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000337540320 253135592 /nfs/dbraw/zinc/13/55/92/253135592.db2.gz IDNHDTWNMVCLJA-GOSISDBHSA-N 2 1 308.441 3.223 20 0 DGADMP COc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1F ZINC000337567916 253141022 /nfs/dbraw/zinc/14/10/22/253141022.db2.gz ZLWLCBZESAOZHN-IYOFFGIQSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1F ZINC000337567916 253141023 /nfs/dbraw/zinc/14/10/23/253141023.db2.gz ZLWLCBZESAOZHN-IYOFFGIQSA-N 2 1 306.425 3.153 20 0 DGADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337652086 253154796 /nfs/dbraw/zinc/15/47/96/253154796.db2.gz DVXCVPWNFQRRMX-NSISKUIASA-N 2 1 316.489 3.114 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338196252 253240698 /nfs/dbraw/zinc/24/06/98/253240698.db2.gz OHYOXGPAJNXIDX-IBGZPJMESA-N 2 1 312.461 3.082 20 0 DGADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000338294650 253259160 /nfs/dbraw/zinc/25/91/60/253259160.db2.gz KSSZPFQDLDXDRF-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000338432475 253286151 /nfs/dbraw/zinc/28/61/51/253286151.db2.gz WRJHHXZEBBCJER-MOPGFXCFSA-N 2 1 324.472 3.112 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000159059183 197323531 /nfs/dbraw/zinc/32/35/31/197323531.db2.gz HJTVKDWWZARQLQ-LJQANCHMSA-N 2 1 319.493 3.259 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000158905856 197310173 /nfs/dbraw/zinc/31/01/73/197310173.db2.gz DUYJZZKWKRDZNT-ROUUACIJSA-N 2 1 314.477 3.162 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000340309642 253600333 /nfs/dbraw/zinc/60/03/33/253600333.db2.gz GTDZGSXUNQWCOE-RCCFBDPRSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000340309642 253600336 /nfs/dbraw/zinc/60/03/36/253600336.db2.gz GTDZGSXUNQWCOE-RCCFBDPRSA-N 2 1 302.462 3.369 20 0 DGADMP COC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000288735647 220380785 /nfs/dbraw/zinc/38/07/85/220380785.db2.gz GXTQCSKVVLRHKH-GUYCJALGSA-N 2 1 321.852 3.458 20 0 DGADMP CCc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000342562288 254008330 /nfs/dbraw/zinc/00/83/30/254008330.db2.gz HYNCSVMFNSCVGB-WMZOPIPTSA-N 2 1 324.472 3.234 20 0 DGADMP CCc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000342562288 254008332 /nfs/dbraw/zinc/00/83/32/254008332.db2.gz HYNCSVMFNSCVGB-WMZOPIPTSA-N 2 1 324.472 3.234 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C)n1 ZINC000342808814 254056251 /nfs/dbraw/zinc/05/62/51/254056251.db2.gz DTUQULMBBYQKDB-AWEZNQCLSA-N 2 1 309.417 3.073 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000342858706 254066849 /nfs/dbraw/zinc/06/68/49/254066849.db2.gz GEDPXCHVIRFBBW-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000342858706 254066850 /nfs/dbraw/zinc/06/68/50/254066850.db2.gz GEDPXCHVIRFBBW-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000343467138 254148332 /nfs/dbraw/zinc/14/83/32/254148332.db2.gz JZRRIKFRLJLRIK-SQNIBIBYSA-N 2 1 301.478 3.346 20 0 DGADMP c1ccc(N2CCCCC2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000343859124 254196916 /nfs/dbraw/zinc/19/69/16/254196916.db2.gz ZDIXRWBMZFEROB-UHFFFAOYSA-N 2 1 313.489 3.393 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000343940405 254204509 /nfs/dbraw/zinc/20/45/09/254204509.db2.gz SHZURMHSSYXQBE-LIEJCIORSA-N 2 1 302.462 3.225 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1(CC)CC ZINC000344161095 254233157 /nfs/dbraw/zinc/23/31/57/254233157.db2.gz FWQDJGFOLHAMOR-BHYGNILZSA-N 2 1 307.482 3.401 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1(CC)CC ZINC000344161098 254233312 /nfs/dbraw/zinc/23/33/12/254233312.db2.gz FWQDJGFOLHAMOR-USXIJHARSA-N 2 1 307.482 3.401 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344775366 254304134 /nfs/dbraw/zinc/30/41/34/254304134.db2.gz WPAPSXCQXBZCHE-HKUYNNGSSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344775366 254304135 /nfs/dbraw/zinc/30/41/35/254304135.db2.gz WPAPSXCQXBZCHE-HKUYNNGSSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000345183658 254338616 /nfs/dbraw/zinc/33/86/16/254338616.db2.gz IUBUDJPVCSVAGN-UHFFFAOYSA-N 2 1 305.472 3.223 20 0 DGADMP CC(C)OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156932827 197150819 /nfs/dbraw/zinc/15/08/19/197150819.db2.gz MPBIYGQRJMOODD-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156932827 197150821 /nfs/dbraw/zinc/15/08/21/197150821.db2.gz MPBIYGQRJMOODD-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156932827 197150822 /nfs/dbraw/zinc/15/08/22/197150822.db2.gz MPBIYGQRJMOODD-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156932827 197150824 /nfs/dbraw/zinc/15/08/24/197150824.db2.gz MPBIYGQRJMOODD-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278978561 285220895 /nfs/dbraw/zinc/22/08/95/285220895.db2.gz OKFVQSGUXAHQFE-RDJZCZTQSA-N 2 1 311.429 3.257 20 0 DGADMP COCC1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000294649129 533169824 /nfs/dbraw/zinc/16/98/24/533169824.db2.gz BSKDMDHOARDFCU-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000271650398 209094670 /nfs/dbraw/zinc/09/46/70/209094670.db2.gz FCLQYMGJGUTWOG-KDOFPFPSSA-N 2 1 303.450 3.170 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000271650398 209094671 /nfs/dbraw/zinc/09/46/71/209094671.db2.gz FCLQYMGJGUTWOG-KDOFPFPSSA-N 2 1 303.450 3.170 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000271650397 209093860 /nfs/dbraw/zinc/09/38/60/209093860.db2.gz FCLQYMGJGUTWOG-KBXCAEBGSA-N 2 1 303.450 3.170 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c1 ZINC000271650397 209093865 /nfs/dbraw/zinc/09/38/65/209093865.db2.gz FCLQYMGJGUTWOG-KBXCAEBGSA-N 2 1 303.450 3.170 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)CCCO)cc1 ZINC000294808908 224234571 /nfs/dbraw/zinc/23/45/71/224234571.db2.gz NPLNKGGGBWPNGJ-GJZGRUSLSA-N 2 1 301.434 3.240 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1O ZINC000289779475 221221257 /nfs/dbraw/zinc/22/12/57/221221257.db2.gz NWFNUEJFGYCFIJ-CQSZACIVSA-N 2 1 306.450 3.172 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000294936535 224322870 /nfs/dbraw/zinc/32/28/70/224322870.db2.gz ZWWNTJDNOQAPEA-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000294936535 224322872 /nfs/dbraw/zinc/32/28/72/224322872.db2.gz ZWWNTJDNOQAPEA-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000349385787 285342943 /nfs/dbraw/zinc/34/29/43/285342943.db2.gz RLKSWRDTHUWCMN-UHFFFAOYSA-N 2 1 318.383 3.401 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000349385787 285342945 /nfs/dbraw/zinc/34/29/45/285342945.db2.gz RLKSWRDTHUWCMN-UHFFFAOYSA-N 2 1 318.383 3.401 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000353535484 285360196 /nfs/dbraw/zinc/36/01/96/285360196.db2.gz WBFDTBRNFYCASO-DMKPSLHHSA-N 2 1 302.462 3.105 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000121046029 195286894 /nfs/dbraw/zinc/28/68/94/195286894.db2.gz SZKUXAPIXPKCJB-JXFKEZNVSA-N 2 1 314.473 3.090 20 0 DGADMP CC(C)COCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121719703 195333793 /nfs/dbraw/zinc/33/37/93/195333793.db2.gz IBBJKLHCQQMLIF-UHFFFAOYSA-N 2 1 318.505 3.346 20 0 DGADMP COC[C@]1(C[NH2+][C@H](c2ccccc2)C2CCCC2)CCC[NH2+]1 ZINC000423416132 533237893 /nfs/dbraw/zinc/23/78/93/533237893.db2.gz QDGNDTUAMYMDIC-RTBURBONSA-N 2 1 302.462 3.276 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000435374080 533355468 /nfs/dbraw/zinc/35/54/68/533355468.db2.gz HDPBGLNPAVGWLD-JCURWCKSSA-N 2 1 300.402 3.001 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946466 533432596 /nfs/dbraw/zinc/43/25/96/533432596.db2.gz DMAAHMBMRHBJCV-SJLPKXTDSA-N 2 1 312.461 3.363 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946466 533432601 /nfs/dbraw/zinc/43/26/01/533432601.db2.gz DMAAHMBMRHBJCV-SJLPKXTDSA-N 2 1 312.461 3.363 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)sc1Br ZINC000442924168 533601295 /nfs/dbraw/zinc/60/12/95/533601295.db2.gz RSUNIDDFBOTQJA-NSHDSACASA-N 2 1 317.296 3.380 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000415118637 533641754 /nfs/dbraw/zinc/64/17/54/533641754.db2.gz DUFYIUPRMPXREI-DZGCQCFKSA-N 2 1 301.459 3.227 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000584705986 400091666 /nfs/dbraw/zinc/09/16/66/400091666.db2.gz YBIZROJAXGBMCF-UHFFFAOYSA-N 2 1 302.462 3.233 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000090859195 400080220 /nfs/dbraw/zinc/08/02/20/400080220.db2.gz QQVMTUJGJKGWIO-UXHICEINSA-N 2 1 316.489 3.241 20 0 DGADMP COc1ccc(COCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000608500911 400080550 /nfs/dbraw/zinc/08/05/50/400080550.db2.gz QJIPEIVYWUKERJ-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COc1ccc(COCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000608500911 400080554 /nfs/dbraw/zinc/08/05/54/400080554.db2.gz QJIPEIVYWUKERJ-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COc1ccc(COCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000608500911 400080560 /nfs/dbraw/zinc/08/05/60/400080560.db2.gz QJIPEIVYWUKERJ-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COc1ccc(COCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000608500911 400080562 /nfs/dbraw/zinc/08/05/62/400080562.db2.gz QJIPEIVYWUKERJ-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066466 400152659 /nfs/dbraw/zinc/15/26/59/400152659.db2.gz ZXKUSHDABCCJKE-QAPCUYQASA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066466 400152663 /nfs/dbraw/zinc/15/26/63/400152663.db2.gz ZXKUSHDABCCJKE-QAPCUYQASA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066466 400152665 /nfs/dbraw/zinc/15/26/65/400152665.db2.gz ZXKUSHDABCCJKE-QAPCUYQASA-N 2 1 310.445 3.012 20 0 DGADMP CSCC[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093558598 400249841 /nfs/dbraw/zinc/24/98/41/400249841.db2.gz VEXYLGYUZPAXNM-OAHLLOKOSA-N 2 1 310.507 3.200 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000404138873 400294198 /nfs/dbraw/zinc/29/41/98/400294198.db2.gz GDUVIZXODHGRSZ-UHFFFAOYSA-N 2 1 322.250 3.247 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000404138873 400294205 /nfs/dbraw/zinc/29/42/05/400294205.db2.gz GDUVIZXODHGRSZ-UHFFFAOYSA-N 2 1 322.250 3.247 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589641395 400315727 /nfs/dbraw/zinc/31/57/27/400315727.db2.gz JQBOTTYCZZYPCY-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589641395 400315732 /nfs/dbraw/zinc/31/57/32/400315732.db2.gz JQBOTTYCZZYPCY-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589641395 400315734 /nfs/dbraw/zinc/31/57/34/400315734.db2.gz JQBOTTYCZZYPCY-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000385844521 400262132 /nfs/dbraw/zinc/26/21/32/400262132.db2.gz BHZPNPQKNHHERA-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000590786896 400434316 /nfs/dbraw/zinc/43/43/16/400434316.db2.gz KPCHGYWPQDAHLI-UHFFFAOYSA-N 2 1 310.404 3.008 20 0 DGADMP CSCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000611586641 400428447 /nfs/dbraw/zinc/42/84/47/400428447.db2.gz VIXPIBDKJUZXIS-RCCFBDPRSA-N 2 1 304.503 3.240 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000590818943 400441810 /nfs/dbraw/zinc/44/18/10/400441810.db2.gz KMYBILMWTUXUFH-UHFFFAOYSA-N 2 1 317.433 3.487 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000590818943 400441817 /nfs/dbraw/zinc/44/18/17/400441817.db2.gz KMYBILMWTUXUFH-UHFFFAOYSA-N 2 1 317.433 3.487 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](CCC(=O)OC)c2ccccc2)CC1 ZINC000591259188 400504599 /nfs/dbraw/zinc/50/45/99/400504599.db2.gz ZRKPJMYIFOBDPZ-SFHVURJKSA-N 2 1 318.461 3.145 20 0 DGADMP Brc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000591081933 400484411 /nfs/dbraw/zinc/48/44/11/400484411.db2.gz BWJUVTBVLZYPGS-HNNXBMFYSA-N 2 1 320.234 3.483 20 0 DGADMP Brc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000591081933 400484415 /nfs/dbraw/zinc/48/44/15/400484415.db2.gz BWJUVTBVLZYPGS-HNNXBMFYSA-N 2 1 320.234 3.483 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)cn1 ZINC000591868397 400568450 /nfs/dbraw/zinc/56/84/50/400568450.db2.gz ZGFOGVNRQBAFLC-MRXNPFEDSA-N 2 1 308.385 3.375 20 0 DGADMP C[NH2+]CCC[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000141501726 400625620 /nfs/dbraw/zinc/62/56/20/400625620.db2.gz RWZQINSYJIOETK-UHFFFAOYSA-N 2 1 312.457 3.334 20 0 DGADMP C[NH2+]CCC[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000141501726 400625623 /nfs/dbraw/zinc/62/56/23/400625623.db2.gz RWZQINSYJIOETK-UHFFFAOYSA-N 2 1 312.457 3.334 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000075713461 400606620 /nfs/dbraw/zinc/60/66/20/400606620.db2.gz RAAWPFKKEKOJOW-UHFFFAOYSA-N 2 1 303.494 3.305 20 0 DGADMP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000052441657 400731124 /nfs/dbraw/zinc/73/11/24/400731124.db2.gz VGGPKSMXNRPHRB-AWEZNQCLSA-N 2 1 324.415 3.070 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161764822 400741586 /nfs/dbraw/zinc/74/15/86/400741586.db2.gz RGVPNBQXBISDIL-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161764822 400741587 /nfs/dbraw/zinc/74/15/87/400741587.db2.gz RGVPNBQXBISDIL-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000155038824 400699754 /nfs/dbraw/zinc/69/97/54/400699754.db2.gz CCTYOXRUEXIZHD-OAHLLOKOSA-N 2 1 312.498 3.161 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000155038824 400699759 /nfs/dbraw/zinc/69/97/59/400699759.db2.gz CCTYOXRUEXIZHD-OAHLLOKOSA-N 2 1 312.498 3.161 20 0 DGADMP Fc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157475679 400717691 /nfs/dbraw/zinc/71/76/91/400717691.db2.gz KAUYWCSFZHGZON-KRWDZBQOSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157475679 400717695 /nfs/dbraw/zinc/71/76/95/400717695.db2.gz KAUYWCSFZHGZON-KRWDZBQOSA-N 2 1 306.425 3.155 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604388606 400772901 /nfs/dbraw/zinc/77/29/01/400772901.db2.gz JUCYJDQGFFYROO-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604388606 400772904 /nfs/dbraw/zinc/77/29/04/400772904.db2.gz JUCYJDQGFFYROO-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000598952639 400911652 /nfs/dbraw/zinc/91/16/52/400911652.db2.gz OPLDPXANDKCHKV-UHFFFAOYSA-N 2 1 324.490 3.279 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598975685 400917807 /nfs/dbraw/zinc/91/78/07/400917807.db2.gz YTAULARPIMTICQ-UHFFFAOYSA-N 2 1 322.474 3.055 20 0 DGADMP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000056494558 400929213 /nfs/dbraw/zinc/92/92/13/400929213.db2.gz FLNPQZIPVUOLOD-AWEZNQCLSA-N 2 1 324.415 3.070 20 0 DGADMP COC[C@@H](C)[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629590274 400985354 /nfs/dbraw/zinc/98/53/54/400985354.db2.gz SFSNPXZBQYWZJK-UZLBHIALSA-N 2 1 316.489 3.401 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@@H]21 ZINC000230048693 400967196 /nfs/dbraw/zinc/96/71/96/400967196.db2.gz VVIPDADLLOUKFN-XOKHGSTOSA-N 2 1 308.853 3.168 20 0 DGADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000629549774 400970558 /nfs/dbraw/zinc/97/05/58/400970558.db2.gz LHTQRORIHONGQC-BYICEURKSA-N 2 1 318.411 3.485 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629559516 400974550 /nfs/dbraw/zinc/97/45/50/400974550.db2.gz BGXHJMOWMRFBHI-CABCVRRESA-N 2 1 300.368 3.208 20 0 DGADMP CCc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629559516 400974556 /nfs/dbraw/zinc/97/45/56/400974556.db2.gz BGXHJMOWMRFBHI-CABCVRRESA-N 2 1 300.368 3.208 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1C(F)(F)F ZINC000629562813 400977876 /nfs/dbraw/zinc/97/78/76/400977876.db2.gz NUIRTQLRIAFPHZ-JSGCOSHPSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@@H]1C(F)(F)F ZINC000629562813 400977881 /nfs/dbraw/zinc/97/78/81/400977881.db2.gz NUIRTQLRIAFPHZ-JSGCOSHPSA-N 2 1 312.335 3.392 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1-c1ccccc1 ZINC000629578305 400979627 /nfs/dbraw/zinc/97/96/27/400979627.db2.gz XAOGDWLXWQVORN-HXUWFJFHSA-N 2 1 324.468 3.208 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C ZINC000629657174 401022586 /nfs/dbraw/zinc/02/25/86/401022586.db2.gz UJHVLERZGNTEIA-GJZGRUSLSA-N 2 1 300.368 3.263 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000058061063 401041472 /nfs/dbraw/zinc/04/14/72/401041472.db2.gz VCHSPNANRPRQHM-CQSZACIVSA-N 2 1 316.367 3.405 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c(C)n1 ZINC000358251066 286011117 /nfs/dbraw/zinc/01/11/17/286011117.db2.gz QKIKFRIZXDJILX-CRAIPNDOSA-N 2 1 306.498 3.202 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c(C)n1 ZINC000358251066 286011118 /nfs/dbraw/zinc/01/11/18/286011118.db2.gz QKIKFRIZXDJILX-CRAIPNDOSA-N 2 1 306.498 3.202 20 0 DGADMP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358245430 286009842 /nfs/dbraw/zinc/00/98/42/286009842.db2.gz IRTNJFVINJLPIR-IKGGRYGDSA-N 2 1 317.452 3.011 20 0 DGADMP CCOc1cncc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000621328888 401167547 /nfs/dbraw/zinc/16/75/47/401167547.db2.gz HHNBTVJNMAVGMI-MRXNPFEDSA-N 2 1 305.466 3.225 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC[N@@H+]1C ZINC000358311783 286028352 /nfs/dbraw/zinc/02/83/52/286028352.db2.gz ZPMLFWZSHDSGKF-YSHGAJCASA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC[N@H+]1C ZINC000358311783 286028354 /nfs/dbraw/zinc/02/83/54/286028354.db2.gz ZPMLFWZSHDSGKF-YSHGAJCASA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC000621373804 401190877 /nfs/dbraw/zinc/19/08/77/401190877.db2.gz OPUMYFGYXMIHNA-FXAWDEMLSA-N 2 1 316.489 3.123 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090537054 401269463 /nfs/dbraw/zinc/26/94/63/401269463.db2.gz CGYSSUXPUMYOHK-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090537054 401269465 /nfs/dbraw/zinc/26/94/65/401269465.db2.gz CGYSSUXPUMYOHK-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000090593124 401269861 /nfs/dbraw/zinc/26/98/61/401269861.db2.gz MNSMEDFRSJCEEX-HKUYNNGSSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358361095 286041679 /nfs/dbraw/zinc/04/16/79/286041679.db2.gz WOADHWZXMAAQCE-JENIJYKNSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358361095 286041682 /nfs/dbraw/zinc/04/16/82/286041682.db2.gz WOADHWZXMAAQCE-JENIJYKNSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000089722872 401237232 /nfs/dbraw/zinc/23/72/32/401237232.db2.gz QGDPASZKZWVCKG-QAPCUYQASA-N 2 1 304.478 3.293 20 0 DGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000358349201 286038633 /nfs/dbraw/zinc/03/86/33/286038633.db2.gz DLKROLOMTYNNJZ-FXAWDEMLSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000358349201 286038635 /nfs/dbraw/zinc/03/86/35/286038635.db2.gz DLKROLOMTYNNJZ-FXAWDEMLSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358348046 286038653 /nfs/dbraw/zinc/03/86/53/286038653.db2.gz HAFMUEFZLCWIND-GEALJGNFSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358348046 286038656 /nfs/dbraw/zinc/03/86/56/286038656.db2.gz HAFMUEFZLCWIND-GEALJGNFSA-N 2 1 314.473 3.197 20 0 DGADMP c1cnc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC000634687934 401334791 /nfs/dbraw/zinc/33/47/91/401334791.db2.gz DCDNXFFJTMMEKS-IAGOWNOFSA-N 2 1 309.457 3.446 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@@H]1C(F)(F)F ZINC000634688300 401335756 /nfs/dbraw/zinc/33/57/56/401335756.db2.gz OMLSMKWVZAYKKN-HIFRSBDPSA-N 2 1 323.362 3.194 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1OC(C)C ZINC000634732558 401340353 /nfs/dbraw/zinc/34/03/53/401340353.db2.gz IZAXMHWHMFNWCS-MRXNPFEDSA-N 2 1 320.477 3.350 20 0 DGADMP CCC(O)(CC)C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000626111343 401302904 /nfs/dbraw/zinc/30/29/04/401302904.db2.gz LJSMHYKVTPSGGF-UHFFFAOYSA-N 2 1 301.434 3.164 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635008364 401402133 /nfs/dbraw/zinc/40/21/33/401402133.db2.gz DDUYVVKRXFRIJI-ZIAGYGMSSA-N 2 1 306.450 3.133 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635011246 401402959 /nfs/dbraw/zinc/40/29/59/401402959.db2.gz MVPZBGDFWMHVDO-OLZOCXBDSA-N 2 1 324.440 3.272 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ccncc1F ZINC000631194814 401422703 /nfs/dbraw/zinc/42/27/03/401422703.db2.gz PNMNWUAEUOLAID-YJBOKZPZSA-N 2 1 313.420 3.078 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000631195558 401423045 /nfs/dbraw/zinc/42/30/45/401423045.db2.gz ZBSHSLOZCQXVLF-IJXRJRJASA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259189 401439723 /nfs/dbraw/zinc/43/97/23/401439723.db2.gz MPHVEJPFMPVOBD-OALUTQOASA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259189 401439732 /nfs/dbraw/zinc/43/97/32/401439732.db2.gz MPHVEJPFMPVOBD-OALUTQOASA-N 2 1 315.505 3.032 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000623086366 401462651 /nfs/dbraw/zinc/46/26/51/401462651.db2.gz MFUABFAKZZFFLL-UHFFFAOYSA-N 2 1 313.376 3.460 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC000623402938 401509070 /nfs/dbraw/zinc/50/90/70/401509070.db2.gz DNBPWKUPPRNZJS-UHFFFAOYSA-N 2 1 308.429 3.304 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631646719 401523194 /nfs/dbraw/zinc/52/31/94/401523194.db2.gz BLKATCWFYQWXBS-OXQOHEQNSA-N 2 1 314.473 3.394 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000631665355 401529542 /nfs/dbraw/zinc/52/95/42/401529542.db2.gz WLNKKQASHSNZJR-MBOZVWFJSA-N 2 1 316.489 3.159 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000623655194 401562394 /nfs/dbraw/zinc/56/23/94/401562394.db2.gz QVZKNFNOXCFVJC-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000623654652 401562542 /nfs/dbraw/zinc/56/25/42/401562542.db2.gz FLTRRBXMSNUMCS-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1SC ZINC000623655629 401562561 /nfs/dbraw/zinc/56/25/61/401562561.db2.gz APYNMABKKVXDDN-HNNXBMFYSA-N 2 1 308.491 3.239 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000623657050 401563246 /nfs/dbraw/zinc/56/32/46/401563246.db2.gz IXBKQYDGGJAZDE-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000623657050 401563247 /nfs/dbraw/zinc/56/32/47/401563247.db2.gz IXBKQYDGGJAZDE-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000623657285 401563375 /nfs/dbraw/zinc/56/33/75/401563375.db2.gz MQUQFQRTJJEDGK-ZIFCJYIRSA-N 2 1 301.478 3.429 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000623656566 401563871 /nfs/dbraw/zinc/56/38/71/401563871.db2.gz XLYBBXSLQKNKQM-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000623656566 401563872 /nfs/dbraw/zinc/56/38/72/401563872.db2.gz XLYBBXSLQKNKQM-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000628281129 401567059 /nfs/dbraw/zinc/56/70/59/401567059.db2.gz BZTNJJUPTCDWBF-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000628281129 401567060 /nfs/dbraw/zinc/56/70/60/401567060.db2.gz BZTNJJUPTCDWBF-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Cl ZINC000628281129 401567061 /nfs/dbraw/zinc/56/70/61/401567061.db2.gz BZTNJJUPTCDWBF-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1Cl ZINC000628281129 401567062 /nfs/dbraw/zinc/56/70/62/401567062.db2.gz BZTNJJUPTCDWBF-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(C)sc1C ZINC000623871391 401591531 /nfs/dbraw/zinc/59/15/31/401591531.db2.gz COHXNHMESABDLD-NVXWUHKLSA-N 2 1 310.507 3.252 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H]2CCCC[N@H+](C)C2)c2ccccn21 ZINC000628425286 401596209 /nfs/dbraw/zinc/59/62/09/401596209.db2.gz GKACYJLBLUNQKS-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H]2CCCC[N@@H+](C)C2)c2ccccn21 ZINC000628425286 401596212 /nfs/dbraw/zinc/59/62/12/401596212.db2.gz GKACYJLBLUNQKS-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623529399 401540693 /nfs/dbraw/zinc/54/06/93/401540693.db2.gz GNSSCBLDGGEWDG-HOTGVXAUSA-N 2 1 319.468 3.114 20 0 DGADMP c1[nH]nc2cccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c12 ZINC000628190867 401546594 /nfs/dbraw/zinc/54/65/94/401546594.db2.gz STTAQPFLOMUJOA-KXBFYZLASA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c12 ZINC000628190867 401546598 /nfs/dbraw/zinc/54/65/98/401546598.db2.gz STTAQPFLOMUJOA-KXBFYZLASA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000628190867 401546600 /nfs/dbraw/zinc/54/66/00/401546600.db2.gz STTAQPFLOMUJOA-KXBFYZLASA-N 2 1 310.445 3.012 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000631736358 401547245 /nfs/dbraw/zinc/54/72/45/401547245.db2.gz IBLACSGYROGZJB-AEFFLSMTSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120951 401628603 /nfs/dbraw/zinc/62/86/03/401628603.db2.gz KOQHPXZKXSCUFR-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120951 401628605 /nfs/dbraw/zinc/62/86/05/401628605.db2.gz KOQHPXZKXSCUFR-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120951 401628606 /nfs/dbraw/zinc/62/86/06/401628606.db2.gz KOQHPXZKXSCUFR-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121009 401628732 /nfs/dbraw/zinc/62/87/32/401628732.db2.gz LMYBSZMSRBOFJT-HUUCEWRRSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121009 401628734 /nfs/dbraw/zinc/62/87/34/401628734.db2.gz LMYBSZMSRBOFJT-HUUCEWRRSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121009 401628736 /nfs/dbraw/zinc/62/87/36/401628736.db2.gz LMYBSZMSRBOFJT-HUUCEWRRSA-N 2 1 307.457 3.274 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624299361 401647878 /nfs/dbraw/zinc/64/78/78/401647878.db2.gz JOOWMXVCDZSKNX-LTFPLMDUSA-N 2 1 314.473 3.054 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358691711 286125472 /nfs/dbraw/zinc/12/54/72/286125472.db2.gz YBUSXDJAPOHMFW-BJLQDIEVSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358691711 286125473 /nfs/dbraw/zinc/12/54/73/286125473.db2.gz YBUSXDJAPOHMFW-BJLQDIEVSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358691711 286125475 /nfs/dbraw/zinc/12/54/75/286125475.db2.gz YBUSXDJAPOHMFW-BJLQDIEVSA-N 2 1 317.521 3.359 20 0 DGADMP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358678671 286122043 /nfs/dbraw/zinc/12/20/43/286122043.db2.gz MLJKSQSKFCXNAI-UXHICEINSA-N 2 1 314.473 3.031 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000358726283 286133851 /nfs/dbraw/zinc/13/38/51/286133851.db2.gz QARGGLCKLPNSIU-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000358726283 286133853 /nfs/dbraw/zinc/13/38/53/286133853.db2.gz QARGGLCKLPNSIU-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nccn2C)CC1)CC(C)C ZINC000358736113 286137173 /nfs/dbraw/zinc/13/71/73/286137173.db2.gz KEJKEQIYIRXOPU-UHFFFAOYSA-N 2 1 306.498 3.000 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nccn2C)CC1)CC(C)C ZINC000358736113 286137174 /nfs/dbraw/zinc/13/71/74/286137174.db2.gz KEJKEQIYIRXOPU-UHFFFAOYSA-N 2 1 306.498 3.000 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358992789 286208854 /nfs/dbraw/zinc/20/88/54/286208854.db2.gz RBTWXOKYCKDMKK-MPGHIAIKSA-N 2 1 316.493 3.040 20 0 DGADMP CO[C@H]1CC[N@H+](CCCc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359069480 286229249 /nfs/dbraw/zinc/22/92/49/286229249.db2.gz XHRBQELBYXPFKJ-MOPGFXCFSA-N 2 1 312.457 3.211 20 0 DGADMP CO[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359069480 286229251 /nfs/dbraw/zinc/22/92/51/286229251.db2.gz XHRBQELBYXPFKJ-MOPGFXCFSA-N 2 1 312.457 3.211 20 0 DGADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359214265 286262226 /nfs/dbraw/zinc/26/22/26/286262226.db2.gz IKEIPPDVSJXYEM-UHFFFAOYSA-N 2 1 318.305 3.193 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@H+](C)CCC2CC[NH2+]CC2)cs1 ZINC000359199676 286259904 /nfs/dbraw/zinc/25/99/04/286259904.db2.gz DVHWTERDWQFYEI-ZDUSSCGKSA-N 2 1 311.495 3.062 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@@H+](C)CCC2CC[NH2+]CC2)cs1 ZINC000359199676 286259905 /nfs/dbraw/zinc/25/99/05/286259905.db2.gz DVHWTERDWQFYEI-ZDUSSCGKSA-N 2 1 311.495 3.062 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359199763 286259907 /nfs/dbraw/zinc/25/99/07/286259907.db2.gz FHZWQCNMOPNIMR-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359199763 286259908 /nfs/dbraw/zinc/25/99/08/286259908.db2.gz FHZWQCNMOPNIMR-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000359230479 286265524 /nfs/dbraw/zinc/26/55/24/286265524.db2.gz ZMEUXXIBOFCEAM-APWZRJJASA-N 2 1 302.462 3.147 20 0 DGADMP CCN(CC)CC[N@H+](CCC1CC[NH2+]CC1)Cc1cccs1 ZINC000359229864 286265629 /nfs/dbraw/zinc/26/56/29/286265629.db2.gz YIODAJLDEWJHQU-UHFFFAOYSA-N 2 1 323.550 3.282 20 0 DGADMP CCN(CC)CC[N@@H+](CCC1CC[NH2+]CC1)Cc1cccs1 ZINC000359229864 286265631 /nfs/dbraw/zinc/26/56/31/286265631.db2.gz YIODAJLDEWJHQU-UHFFFAOYSA-N 2 1 323.550 3.282 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423490491 292352952 /nfs/dbraw/zinc/35/29/52/292352952.db2.gz YWIAHSSUPXDQAP-HIFRSBDPSA-N 2 1 310.388 3.043 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000042427393 1194173979 /nfs/dbraw/zinc/17/39/79/1194173979.db2.gz UXKHVEZHSYGSHW-AAEUAGOBSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364312622 287011181 /nfs/dbraw/zinc/01/11/81/287011181.db2.gz CDXPHUXLITXUCT-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(CO)c1 ZINC000183184259 287049961 /nfs/dbraw/zinc/04/99/61/287049961.db2.gz PRQVIHZDOHXISO-JTDSTZFVSA-N 2 1 316.489 3.483 20 0 DGADMP C[C@H]([NH2+]CCCOCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365013649 287087175 /nfs/dbraw/zinc/08/71/75/287087175.db2.gz GWJDZFFZHQNNEO-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000185491420 165005952 /nfs/dbraw/zinc/00/59/52/165005952.db2.gz MOCCIPONRVHMHP-QFBILLFUSA-N 2 1 317.477 3.013 20 0 DGADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000191285634 165240570 /nfs/dbraw/zinc/24/05/70/165240570.db2.gz KWVOEZYGHNPTMM-UHFFFAOYSA-N 2 1 316.493 3.034 20 0 DGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000191422892 165248737 /nfs/dbraw/zinc/24/87/37/165248737.db2.gz MJNRMONWLHRQDB-UHFFFAOYSA-N 2 1 317.521 3.313 20 0 DGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCC2CC2)c1 ZINC000192945251 165312193 /nfs/dbraw/zinc/31/21/93/165312193.db2.gz WGWIBCIPDLFTHD-YQQQUEKLSA-N 2 1 314.473 3.499 20 0 DGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCC2CC2)c1 ZINC000192945251 165312199 /nfs/dbraw/zinc/31/21/99/165312199.db2.gz WGWIBCIPDLFTHD-YQQQUEKLSA-N 2 1 314.473 3.499 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193041543 165315884 /nfs/dbraw/zinc/31/58/84/165315884.db2.gz XNIYFBGINANSQU-ALOPSCKCSA-N 2 1 302.462 3.188 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194448496 165346782 /nfs/dbraw/zinc/34/67/82/165346782.db2.gz WUQJUBNRBHSZMG-APWZRJJASA-N 2 1 300.446 3.494 20 0 DGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261949463 287132323 /nfs/dbraw/zinc/13/23/23/287132323.db2.gz WCTUGTIBJHMWAS-LPHOPBHVSA-N 2 1 315.505 3.025 20 0 DGADMP Fc1cc(C[NH2+]CCC[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000129429069 196047925 /nfs/dbraw/zinc/04/79/25/196047925.db2.gz LHZPDGJDRCIVJL-UHFFFAOYSA-N 2 1 304.331 3.420 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129436293 196048322 /nfs/dbraw/zinc/04/83/22/196048322.db2.gz PCEXJUYHYAFOSM-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129436293 196048324 /nfs/dbraw/zinc/04/83/24/196048324.db2.gz PCEXJUYHYAFOSM-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000246698098 432155329 /nfs/dbraw/zinc/15/53/29/432155329.db2.gz ZEWXSKQOLDIBPD-GXFFZTMASA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000246698098 432155333 /nfs/dbraw/zinc/15/53/33/432155333.db2.gz ZEWXSKQOLDIBPD-GXFFZTMASA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000246698078 432156034 /nfs/dbraw/zinc/15/60/34/432156034.db2.gz ZEWXSKQOLDIBPD-GWCFXTLKSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000246698078 432156038 /nfs/dbraw/zinc/15/60/38/432156038.db2.gz ZEWXSKQOLDIBPD-GWCFXTLKSA-N 2 1 317.296 3.331 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246891680 432178738 /nfs/dbraw/zinc/17/87/38/432178738.db2.gz UAULYZXGXANAPL-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246891680 432178741 /nfs/dbraw/zinc/17/87/41/432178741.db2.gz UAULYZXGXANAPL-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246891680 432178744 /nfs/dbraw/zinc/17/87/44/432178744.db2.gz UAULYZXGXANAPL-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP CSCC[NH+](C)Cc1ccccc1C[N@H+](C)CCSC ZINC000138237457 432181798 /nfs/dbraw/zinc/18/17/98/432181798.db2.gz JZRCMZIJHZBTPO-UHFFFAOYSA-N 2 1 312.548 3.276 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000246854531 432172491 /nfs/dbraw/zinc/17/24/91/432172491.db2.gz VZMAZWVTDUDNDW-OALUTQOASA-N 2 1 307.526 3.059 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000246845271 432172500 /nfs/dbraw/zinc/17/25/00/432172500.db2.gz CJJFLNWNKJYBKO-CVEARBPZSA-N 2 1 318.461 3.230 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000182274009 432173126 /nfs/dbraw/zinc/17/31/26/432173126.db2.gz KSEXUVAJAJNPHK-YJBOKZPZSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000182274009 432173129 /nfs/dbraw/zinc/17/31/29/432173129.db2.gz KSEXUVAJAJNPHK-YJBOKZPZSA-N 2 1 314.429 3.005 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)COCc2ccccc2)[C@@H](C)C1 ZINC000246864107 432174980 /nfs/dbraw/zinc/17/49/80/432174980.db2.gz CDLFPUVWYMTFLY-AOIWGVFYSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000190694603 432183744 /nfs/dbraw/zinc/18/37/44/432183744.db2.gz BXARWAYSZSWXBO-IUODEOHRSA-N 2 1 311.267 3.330 20 0 DGADMP c1ccc(COCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000182406252 432187498 /nfs/dbraw/zinc/18/74/98/432187498.db2.gz XALVLQUSNUAEGR-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCC1 ZINC000247010160 432190194 /nfs/dbraw/zinc/19/01/94/432190194.db2.gz LDEYETRVPIXERN-HZPDHXFCSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCC1 ZINC000247010160 432190199 /nfs/dbraw/zinc/19/01/99/432190199.db2.gz LDEYETRVPIXERN-HZPDHXFCSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000247012774 432191921 /nfs/dbraw/zinc/19/19/21/432191921.db2.gz MJURFCJCUZSNDR-OWCLPIDISA-N 2 1 308.441 3.366 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000247064637 432198361 /nfs/dbraw/zinc/19/83/61/432198361.db2.gz NZXHQUCTUYZEKN-QAPCUYQASA-N 2 1 317.477 3.245 20 0 DGADMP CC(C)[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000247073315 432199836 /nfs/dbraw/zinc/19/98/36/432199836.db2.gz OJNUAFKQJBBQLC-WJFTUGDTSA-N 2 1 309.542 3.061 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150834360 432194828 /nfs/dbraw/zinc/19/48/28/432194828.db2.gz ROKIRHBCHUVNCF-HNNXBMFYSA-N 2 1 313.420 3.292 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150834360 432194832 /nfs/dbraw/zinc/19/48/32/432194832.db2.gz ROKIRHBCHUVNCF-HNNXBMFYSA-N 2 1 313.420 3.292 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1nc2cc(Cl)ccc2n1C ZINC000269715857 432201289 /nfs/dbraw/zinc/20/12/89/432201289.db2.gz VYPAQOPSVKLROQ-MBNYWOFBSA-N 2 1 320.868 3.045 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000130560360 196090601 /nfs/dbraw/zinc/09/06/01/196090601.db2.gz DSNWKKKMNMTHJV-LZWOXQAQSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000130560360 196090602 /nfs/dbraw/zinc/09/06/02/196090602.db2.gz DSNWKKKMNMTHJV-LZWOXQAQSA-N 2 1 323.278 3.317 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000247248241 432214356 /nfs/dbraw/zinc/21/43/56/432214356.db2.gz ZMAIRDWOFUQQJX-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000182547561 432203768 /nfs/dbraw/zinc/20/37/68/432203768.db2.gz PLEZIIFDLQNWTN-JKSUJKDBSA-N 2 1 312.498 3.351 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000247136690 432205671 /nfs/dbraw/zinc/20/56/71/432205671.db2.gz QPZBCTPIFOXONF-GDZNZVCISA-N 2 1 310.869 3.209 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205746 /nfs/dbraw/zinc/20/57/46/432205746.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205749 /nfs/dbraw/zinc/20/57/49/432205749.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205752 /nfs/dbraw/zinc/20/57/52/432205752.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@@H](NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205756 /nfs/dbraw/zinc/20/57/56/432205756.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205760 /nfs/dbraw/zinc/20/57/60/432205760.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205764 /nfs/dbraw/zinc/20/57/64/432205764.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205765 /nfs/dbraw/zinc/20/57/65/432205765.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205769 /nfs/dbraw/zinc/20/57/69/432205769.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130841 432205774 /nfs/dbraw/zinc/20/57/74/432205774.db2.gz RSIGLCRHPODCII-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000151114426 432218797 /nfs/dbraw/zinc/21/87/97/432218797.db2.gz JPAKOXJERSTTPI-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000151114426 432218799 /nfs/dbraw/zinc/21/87/99/432218799.db2.gz JPAKOXJERSTTPI-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000151114426 432218801 /nfs/dbraw/zinc/21/88/01/432218801.db2.gz JPAKOXJERSTTPI-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000151108490 432220138 /nfs/dbraw/zinc/22/01/38/432220138.db2.gz QFMYGKGJJYMMEU-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000131575341 196180855 /nfs/dbraw/zinc/18/08/55/196180855.db2.gz RMUFBYMLJDHUAP-ROUUACIJSA-N 2 1 302.462 3.023 20 0 DGADMP c1ccc2sc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000269922975 432222332 /nfs/dbraw/zinc/22/23/32/432222332.db2.gz AXPPZFFRLHLHNS-ZIAGYGMSSA-N 2 1 301.459 3.055 20 0 DGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000269925836 432222978 /nfs/dbraw/zinc/22/29/78/432222978.db2.gz BUMOKAXVVMSRCE-OLZOCXBDSA-N 2 1 314.351 3.144 20 0 DGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000269925836 432222982 /nfs/dbraw/zinc/22/29/82/432222982.db2.gz BUMOKAXVVMSRCE-OLZOCXBDSA-N 2 1 314.351 3.144 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340516424 287267156 /nfs/dbraw/zinc/26/71/56/287267156.db2.gz WTWWYNLDOQXVPW-TVFCKZIOSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340516422 287267215 /nfs/dbraw/zinc/26/72/15/287267215.db2.gz WTWWYNLDOQXVPW-BRSBDYLESA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193975805 287348139 /nfs/dbraw/zinc/34/81/39/287348139.db2.gz KKHOMWHONLNPBT-BRSBDYLESA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295806168 225260185 /nfs/dbraw/zinc/26/01/85/225260185.db2.gz TUFWDRAADLACBL-FZCLSBEQSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295806168 225260190 /nfs/dbraw/zinc/26/01/90/225260190.db2.gz TUFWDRAADLACBL-FZCLSBEQSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291254438 222261618 /nfs/dbraw/zinc/26/16/18/222261618.db2.gz WFVKOQUBWGQXLI-HNBVOPMISA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291254438 222261619 /nfs/dbraw/zinc/26/16/19/222261619.db2.gz WFVKOQUBWGQXLI-HNBVOPMISA-N 2 1 316.489 3.444 20 0 DGADMP Cc1cccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000302244227 230199045 /nfs/dbraw/zinc/19/90/45/230199045.db2.gz RDKRAZDMRBTULR-UHFFFAOYSA-N 2 1 324.472 3.404 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193949624 263804357 /nfs/dbraw/zinc/80/43/57/263804357.db2.gz ILJZNWLJXBZOSE-BSDSXHPESA-N 2 1 306.494 3.188 20 0 DGADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ncccc12 ZINC000320958781 263901589 /nfs/dbraw/zinc/90/15/89/263901589.db2.gz NVRMBOXCIFFEBZ-OKILXGFUSA-N 2 1 315.848 3.320 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCCC(C)C ZINC000346630729 264068476 /nfs/dbraw/zinc/06/84/76/264068476.db2.gz CHWMUMGIHKKCTO-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346635384 264070342 /nfs/dbraw/zinc/07/03/42/264070342.db2.gz GWOWQIJVNWWOMM-UHFFFAOYSA-N 2 1 318.440 3.045 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346635384 264070343 /nfs/dbraw/zinc/07/03/43/264070343.db2.gz GWOWQIJVNWWOMM-UHFFFAOYSA-N 2 1 318.440 3.045 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660942 264074759 /nfs/dbraw/zinc/07/47/59/264074759.db2.gz AOPMETSDEHVPDM-GXSJLCMTSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660942 264074762 /nfs/dbraw/zinc/07/47/62/264074762.db2.gz AOPMETSDEHVPDM-GXSJLCMTSA-N 2 1 304.768 3.111 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346684536 264079464 /nfs/dbraw/zinc/07/94/64/264079464.db2.gz QCYSYPLUJSTQST-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346695106 264081557 /nfs/dbraw/zinc/08/15/57/264081557.db2.gz YHPWWOAOQWIAQV-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(C)c1OC(F)F ZINC000346828980 264104750 /nfs/dbraw/zinc/10/47/50/264104750.db2.gz OBEGLSQVHYAEFU-JYJNAYRXSA-N 2 1 324.415 3.464 20 0 DGADMP CCCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346825341 264104859 /nfs/dbraw/zinc/10/48/59/264104859.db2.gz GIAFGHFXWROFGE-XHSDSOJGSA-N 2 1 312.461 3.006 20 0 DGADMP CCCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346825341 264104860 /nfs/dbraw/zinc/10/48/60/264104860.db2.gz GIAFGHFXWROFGE-XHSDSOJGSA-N 2 1 312.461 3.006 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346843032 264107544 /nfs/dbraw/zinc/10/75/44/264107544.db2.gz JFWZJAFWIHMIQL-IMJJTQAJSA-N 2 1 323.278 3.317 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@H]12 ZINC000346840316 264107720 /nfs/dbraw/zinc/10/77/20/264107720.db2.gz TYYQJSHKFUCTOQ-GMXVVIOVSA-N 2 1 316.779 3.111 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@H]12 ZINC000346840316 264107722 /nfs/dbraw/zinc/10/77/22/264107722.db2.gz TYYQJSHKFUCTOQ-GMXVVIOVSA-N 2 1 316.779 3.111 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@@H]12 ZINC000346848350 264108027 /nfs/dbraw/zinc/10/80/27/264108027.db2.gz QECPFKZMWCHSBH-JJRVBVJISA-N 2 1 319.880 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]21 ZINC000346864694 264111584 /nfs/dbraw/zinc/11/15/84/264111584.db2.gz YYYSEWPFRUWIDW-ARFHVFGLSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]21 ZINC000346864694 264111587 /nfs/dbraw/zinc/11/15/87/264111587.db2.gz YYYSEWPFRUWIDW-ARFHVFGLSA-N 2 1 313.470 3.369 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)cc1 ZINC000346885408 264115548 /nfs/dbraw/zinc/11/55/48/264115548.db2.gz RERDUODXFOFIEW-NVXWUHKLSA-N 2 1 302.462 3.189 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346994173 264135296 /nfs/dbraw/zinc/13/52/96/264135296.db2.gz BUZQQOUUJGRWTF-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000347002277 264137081 /nfs/dbraw/zinc/13/70/81/264137081.db2.gz IPJKMXFSGSKEAQ-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000347003773 264138430 /nfs/dbraw/zinc/13/84/30/264138430.db2.gz MEKNESSTQTUKDI-PMACEKPBSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1Oc1cccnc1 ZINC000347006728 264139369 /nfs/dbraw/zinc/13/93/69/264139369.db2.gz CILNPFPTAAHQQM-UHFFFAOYSA-N 2 1 311.429 3.366 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347026428 264142851 /nfs/dbraw/zinc/14/28/51/264142851.db2.gz TXKZVQXTLMHWBG-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347039543 264146136 /nfs/dbraw/zinc/14/61/36/264146136.db2.gz JOUAVJWTRKVEJE-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347039543 264146137 /nfs/dbraw/zinc/14/61/37/264146137.db2.gz JOUAVJWTRKVEJE-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000347049681 264147479 /nfs/dbraw/zinc/14/74/79/264147479.db2.gz IFSWDVVIDJUJOW-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000347049681 264147481 /nfs/dbraw/zinc/14/74/81/264147481.db2.gz IFSWDVVIDJUJOW-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000347049681 264147483 /nfs/dbraw/zinc/14/74/83/264147483.db2.gz IFSWDVVIDJUJOW-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347050550 264147499 /nfs/dbraw/zinc/14/74/99/264147499.db2.gz QVUVVDJFMXKWDK-JSGCOSHPSA-N 2 1 316.367 3.187 20 0 DGADMP CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347171956 264169621 /nfs/dbraw/zinc/16/96/21/264169621.db2.gz NXCDFGGFOVJBDP-SJPCQFCGSA-N 2 1 318.461 3.199 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347171956 264169624 /nfs/dbraw/zinc/16/96/24/264169624.db2.gz NXCDFGGFOVJBDP-SJPCQFCGSA-N 2 1 318.461 3.199 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347193837 264174071 /nfs/dbraw/zinc/17/40/71/264174071.db2.gz GJTQWMPRXLPLEL-RHSMWYFYSA-N 2 1 313.420 3.447 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347228040 264179207 /nfs/dbraw/zinc/17/92/07/264179207.db2.gz WZSBKYDSYVIONV-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000347333844 264198808 /nfs/dbraw/zinc/19/88/08/264198808.db2.gz QSQJXGZOMCMVRN-MJGOQNOKSA-N 2 1 304.478 3.098 20 0 DGADMP CO[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347365123 264207085 /nfs/dbraw/zinc/20/70/85/264207085.db2.gz SUZCDSLPYTZSOF-UXDRXVOSSA-N 2 1 302.462 3.197 20 0 DGADMP Cc1cccc(OCCN(C)Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347654104 264261218 /nfs/dbraw/zinc/26/12/18/264261218.db2.gz GBOYATNEVAAGAH-UHFFFAOYSA-N 2 1 319.474 3.024 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000348086040 264336239 /nfs/dbraw/zinc/33/62/39/264336239.db2.gz NRZHFVKOOASJPH-IBGZPJMESA-N 2 1 301.478 3.177 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000348086040 264336241 /nfs/dbraw/zinc/33/62/41/264336241.db2.gz NRZHFVKOOASJPH-IBGZPJMESA-N 2 1 301.478 3.177 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000348106969 264342108 /nfs/dbraw/zinc/34/21/08/264342108.db2.gz PWMQSMCWXGQHMM-GJZGRUSLSA-N 2 1 323.456 3.392 20 0 DGADMP c1cnn(-c2ccncc2NCc2ccc(-n3ccnc3)cc2)c1 ZINC000348134205 264349435 /nfs/dbraw/zinc/34/94/35/264349435.db2.gz GNGRQFBGAJOBKB-UHFFFAOYSA-N 2 1 316.368 3.065 20 0 DGADMP CCc1ccc(CN(C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173375 264357983 /nfs/dbraw/zinc/35/79/83/264357983.db2.gz IZTILXUKLMSUSS-UYAOXDASSA-N 2 1 324.472 3.164 20 0 DGADMP CCc1ccc(CN(C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173375 264357986 /nfs/dbraw/zinc/35/79/86/264357986.db2.gz IZTILXUKLMSUSS-UYAOXDASSA-N 2 1 324.472 3.164 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348222843 264368289 /nfs/dbraw/zinc/36/82/89/264368289.db2.gz AOBIZQOBINDOLX-ZWKOTPCHSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348222843 264368291 /nfs/dbraw/zinc/36/82/91/264368291.db2.gz AOBIZQOBINDOLX-ZWKOTPCHSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348222843 264368294 /nfs/dbraw/zinc/36/82/94/264368294.db2.gz AOBIZQOBINDOLX-ZWKOTPCHSA-N 2 1 320.452 3.291 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000348253185 264375642 /nfs/dbraw/zinc/37/56/42/264375642.db2.gz HOSNAKMQPDIBFR-XLIONFOSSA-N 2 1 318.505 3.415 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000348253183 264375788 /nfs/dbraw/zinc/37/57/88/264375788.db2.gz HOSNAKMQPDIBFR-FXAWDEMLSA-N 2 1 318.505 3.415 20 0 DGADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1 ZINC000352761411 265156366 /nfs/dbraw/zinc/15/63/66/265156366.db2.gz XGUPETTXZNOJHL-LBPRGKRZSA-N 2 1 307.438 3.237 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352764122 265157586 /nfs/dbraw/zinc/15/75/86/265157586.db2.gz BICGCRMQDGUMDD-CQSZACIVSA-N 2 1 303.475 3.234 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(c3ccccc3)C2)s1 ZINC000352783449 265164132 /nfs/dbraw/zinc/16/41/32/265164132.db2.gz BUIQIYKNBYIKCT-UHFFFAOYSA-N 2 1 301.459 3.241 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCc3ccccc32)s1 ZINC000352782008 265164371 /nfs/dbraw/zinc/16/43/71/265164371.db2.gz BGDZBBXBYQFDIF-AWEZNQCLSA-N 2 1 301.459 3.024 20 0 DGADMP CC(C)(C)OCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352815656 265179936 /nfs/dbraw/zinc/17/99/36/265179936.db2.gz KZXWZIUEDDSIRN-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)(C)OCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352815656 265179940 /nfs/dbraw/zinc/17/99/40/265179940.db2.gz KZXWZIUEDDSIRN-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)(C)OCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352815656 265179945 /nfs/dbraw/zinc/17/99/45/265179945.db2.gz KZXWZIUEDDSIRN-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352819988 265181526 /nfs/dbraw/zinc/18/15/26/265181526.db2.gz BQRCRVNHWLXGRY-ZIAGYGMSSA-N 2 1 316.367 3.373 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822200 265182724 /nfs/dbraw/zinc/18/27/24/265182724.db2.gz DOQVXGNVUNBULK-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822200 265182728 /nfs/dbraw/zinc/18/27/28/265182728.db2.gz DOQVXGNVUNBULK-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822200 265182729 /nfs/dbraw/zinc/18/27/29/265182729.db2.gz DOQVXGNVUNBULK-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(N2CCCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000352969087 265249587 /nfs/dbraw/zinc/24/95/87/265249587.db2.gz QSXRWSJPHBUORE-MOPGFXCFSA-N 2 1 313.489 3.393 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000353145795 265317408 /nfs/dbraw/zinc/31/74/08/265317408.db2.gz KAOLFSKAJQPZQV-GOSISDBHSA-N 2 1 313.470 3.268 20 0 DGADMP C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353153614 265321048 /nfs/dbraw/zinc/32/10/48/265321048.db2.gz ZEDLTVJSZAUBLA-UJJTZGENSA-N 2 1 306.494 3.425 20 0 DGADMP C[NH+](C[C@H]1CCC2(CCCCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353153614 265321049 /nfs/dbraw/zinc/32/10/49/265321049.db2.gz ZEDLTVJSZAUBLA-UJJTZGENSA-N 2 1 306.494 3.425 20 0 DGADMP C[NH+](C[C@H]1CCC2(CCCCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353153614 265321051 /nfs/dbraw/zinc/32/10/51/265321051.db2.gz ZEDLTVJSZAUBLA-UJJTZGENSA-N 2 1 306.494 3.425 20 0 DGADMP Cc1cccc(N2CCC(Nc3cc[nH+]c(C)c3Cl)CC2)[nH+]1 ZINC000353169173 265327574 /nfs/dbraw/zinc/32/75/74/265327574.db2.gz FCMAEGDNLQIPPB-UHFFFAOYSA-N 2 1 316.836 3.250 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNCc2nc3ccc(OC)cc3s2)C1 ZINC000353234547 265355564 /nfs/dbraw/zinc/35/55/64/265355564.db2.gz IDCIALOADDMWQL-ZDUSSCGKSA-N 2 1 319.474 3.126 20 0 DGADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354425959 265769333 /nfs/dbraw/zinc/76/93/33/265769333.db2.gz HXDFCUTXGPLMHS-LBPRGKRZSA-N 2 1 320.462 3.133 20 0 DGADMP C[C@@H](O)CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354724495 265851979 /nfs/dbraw/zinc/85/19/79/265851979.db2.gz DGXBWKMNTUSNOV-GOSISDBHSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCC(C)(C)CC1 ZINC000355241684 266012584 /nfs/dbraw/zinc/01/25/84/266012584.db2.gz UBKKUNMZOPVFDC-SQNIBIBYSA-N 2 1 308.510 3.386 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000355333107 266042213 /nfs/dbraw/zinc/04/22/13/266042213.db2.gz PMAWTKHUNKGFQS-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000355333107 266042216 /nfs/dbraw/zinc/04/22/16/266042216.db2.gz PMAWTKHUNKGFQS-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000355333107 266042221 /nfs/dbraw/zinc/04/22/21/266042221.db2.gz PMAWTKHUNKGFQS-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000355340670 266044851 /nfs/dbraw/zinc/04/48/51/266044851.db2.gz WHJHSFIPSMZXFG-QFBILLFUSA-N 2 1 320.452 3.162 20 0 DGADMP Clc1c[nH+]ccc1N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355684651 266155151 /nfs/dbraw/zinc/15/51/51/266155151.db2.gz QWOOVFRGEPPKNG-HOTGVXAUSA-N 2 1 313.832 3.303 20 0 DGADMP COC[C@H](Cc1ccccc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000355793064 266188244 /nfs/dbraw/zinc/18/82/44/266188244.db2.gz XGNCJFOCIHLBKQ-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000355793064 266188248 /nfs/dbraw/zinc/18/82/48/266188248.db2.gz XGNCJFOCIHLBKQ-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073480 533687511 /nfs/dbraw/zinc/68/75/11/533687511.db2.gz ZGZYFZSXPLITMK-WBMJQRKESA-N 2 1 323.868 3.164 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000367862514 271089369 /nfs/dbraw/zinc/08/93/69/271089369.db2.gz IZEDEWGPBLIVGP-QGZVFWFLSA-N 2 1 324.509 3.164 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530138 271166411 /nfs/dbraw/zinc/16/64/11/271166411.db2.gz IVSAHRQTGSMMGV-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP Cn1cccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000369212901 271251763 /nfs/dbraw/zinc/25/17/63/271251763.db2.gz FXRNYOLIWPLDKQ-IBGZPJMESA-N 2 1 311.473 3.415 20 0 DGADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000369212901 271251771 /nfs/dbraw/zinc/25/17/71/271251771.db2.gz FXRNYOLIWPLDKQ-IBGZPJMESA-N 2 1 311.473 3.415 20 0 DGADMP CC(C)c1nc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000370502573 271366179 /nfs/dbraw/zinc/36/61/79/271366179.db2.gz GUKNYSYLLCVEIC-MRXNPFEDSA-N 2 1 320.481 3.247 20 0 DGADMP CC(C)c1nc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000370502573 271366182 /nfs/dbraw/zinc/36/61/82/271366182.db2.gz GUKNYSYLLCVEIC-MRXNPFEDSA-N 2 1 320.481 3.247 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247927062 432253904 /nfs/dbraw/zinc/25/39/04/432253904.db2.gz BRJSTVHWMFNMLG-ZWKOTPCHSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927062 432253907 /nfs/dbraw/zinc/25/39/07/432253907.db2.gz BRJSTVHWMFNMLG-ZWKOTPCHSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927062 432253911 /nfs/dbraw/zinc/25/39/11/432253911.db2.gz BRJSTVHWMFNMLG-ZWKOTPCHSA-N 2 1 302.462 3.098 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000247933207 432254501 /nfs/dbraw/zinc/25/45/01/432254501.db2.gz CFBWWXBNBSJCTC-LFGUQSLTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000247933207 432254506 /nfs/dbraw/zinc/25/45/06/432254506.db2.gz CFBWWXBNBSJCTC-LFGUQSLTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000247933207 432254512 /nfs/dbraw/zinc/25/45/12/432254512.db2.gz CFBWWXBNBSJCTC-LFGUQSLTSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247958360 432256699 /nfs/dbraw/zinc/25/66/99/432256699.db2.gz FXMXCFZGKUQRPR-SCTDSRPQSA-N 2 1 317.521 3.436 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271525688 274018275 /nfs/dbraw/zinc/01/82/75/274018275.db2.gz QCRKMNZQNYDSOP-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271525688 274018276 /nfs/dbraw/zinc/01/82/76/274018276.db2.gz QCRKMNZQNYDSOP-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340307125 274018546 /nfs/dbraw/zinc/01/85/46/274018546.db2.gz NDABSPHEINBHPQ-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340307125 274018547 /nfs/dbraw/zinc/01/85/47/274018547.db2.gz NDABSPHEINBHPQ-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153220476 274026116 /nfs/dbraw/zinc/02/61/16/274026116.db2.gz MHUPGWDZKSOAIL-YJBOKZPZSA-N 2 1 302.462 3.244 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000279035168 274136600 /nfs/dbraw/zinc/13/66/00/274136600.db2.gz WPSPZYQRGSAQTR-RDTXWAMCSA-N 2 1 311.429 3.121 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427714928 274208812 /nfs/dbraw/zinc/20/88/12/274208812.db2.gz NVWYAOMWWKKCRQ-XHDPSFHLSA-N 2 1 315.383 3.408 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422729111 274247982 /nfs/dbraw/zinc/24/79/82/274247982.db2.gz BHXZUVVJRCNYKA-LLVKDONJSA-N 2 1 309.335 3.406 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000246295016 274286307 /nfs/dbraw/zinc/28/63/07/274286307.db2.gz DPPXLDAMGGMVQO-HBFSDRIKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000246295016 274286309 /nfs/dbraw/zinc/28/63/09/274286309.db2.gz DPPXLDAMGGMVQO-HBFSDRIKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000246295016 274286311 /nfs/dbraw/zinc/28/63/11/274286311.db2.gz DPPXLDAMGGMVQO-HBFSDRIKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000246295016 274286313 /nfs/dbraw/zinc/28/63/13/274286313.db2.gz DPPXLDAMGGMVQO-HBFSDRIKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418128 274334938 /nfs/dbraw/zinc/33/49/38/274334938.db2.gz KNVCYKLZVHMGIE-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418128 274334939 /nfs/dbraw/zinc/33/49/39/274334939.db2.gz KNVCYKLZVHMGIE-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418128 274334940 /nfs/dbraw/zinc/33/49/40/274334940.db2.gz KNVCYKLZVHMGIE-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418128 274334941 /nfs/dbraw/zinc/33/49/41/274334941.db2.gz KNVCYKLZVHMGIE-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257813 274335535 /nfs/dbraw/zinc/33/55/35/274335535.db2.gz JKLITFXQINCUJJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257813 274335536 /nfs/dbraw/zinc/33/55/36/274335536.db2.gz JKLITFXQINCUJJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257813 274335537 /nfs/dbraw/zinc/33/55/37/274335537.db2.gz JKLITFXQINCUJJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257813 274335538 /nfs/dbraw/zinc/33/55/38/274335538.db2.gz JKLITFXQINCUJJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CC3 ZINC000423047691 274766354 /nfs/dbraw/zinc/76/63/54/274766354.db2.gz VJXSLKCMMCXVCW-KBPBESRZSA-N 2 1 320.440 3.492 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423121827 274774583 /nfs/dbraw/zinc/77/45/83/274774583.db2.gz JCMJNRXKDJKBLR-RSPOEFSDSA-N 2 1 314.473 3.119 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000466347686 275389954 /nfs/dbraw/zinc/38/99/54/275389954.db2.gz SPPKXKDUTQMARQ-NMLBUPMWSA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000466347686 275389955 /nfs/dbraw/zinc/38/99/55/275389955.db2.gz SPPKXKDUTQMARQ-NMLBUPMWSA-N 2 1 320.521 3.436 20 0 DGADMP CC[N@@H+](CCNc1cc(C)nc(C2CC2)n1)CCC(F)(F)F ZINC000491868371 429424347 /nfs/dbraw/zinc/42/43/47/429424347.db2.gz KFOGIHXZVAYLCJ-UHFFFAOYSA-N 2 1 316.371 3.349 20 0 DGADMP CCN(CCNc1cc(C)nc(C2CC2)n1)CCC(F)(F)F ZINC000491868371 429424349 /nfs/dbraw/zinc/42/43/49/429424349.db2.gz KFOGIHXZVAYLCJ-UHFFFAOYSA-N 2 1 316.371 3.349 20 0 DGADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423305979 276017623 /nfs/dbraw/zinc/01/76/23/276017623.db2.gz CYXOGZDYCIQIEX-AQNXPRMDSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423079183 276104796 /nfs/dbraw/zinc/10/47/96/276104796.db2.gz XOTWICGIQNQWMY-FGTMMUONSA-N 2 1 307.526 3.009 20 0 DGADMP CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423079183 276104798 /nfs/dbraw/zinc/10/47/98/276104798.db2.gz XOTWICGIQNQWMY-FGTMMUONSA-N 2 1 307.526 3.009 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CCCCCC3)CC2)CC1 ZINC000420974386 276149718 /nfs/dbraw/zinc/14/97/18/276149718.db2.gz DMSDLIMNGLVRRB-UHFFFAOYSA-N 2 1 321.553 3.449 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000252536999 276217176 /nfs/dbraw/zinc/21/71/76/276217176.db2.gz KCSJBNNFCOLILW-JCHJZTRSSA-N 2 1 302.462 3.084 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459533431 277077983 /nfs/dbraw/zinc/07/79/83/277077983.db2.gz VPEJSIXDUGVCDW-SFHVURJKSA-N 2 1 314.473 3.035 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C[C@H]1c1ccccc1 ZINC000340250531 277138154 /nfs/dbraw/zinc/13/81/54/277138154.db2.gz GZJLMXNAPRXOIZ-MOPGFXCFSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C[C@H]1c1ccccc1 ZINC000340250531 277138155 /nfs/dbraw/zinc/13/81/55/277138155.db2.gz GZJLMXNAPRXOIZ-MOPGFXCFSA-N 2 1 316.489 3.354 20 0 DGADMP C[NH2+]CCC[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000435872211 277267359 /nfs/dbraw/zinc/26/73/59/277267359.db2.gz XGHKPHWSRGNQCN-ZDUSSCGKSA-N 2 1 318.383 3.324 20 0 DGADMP C[NH2+]CCC[N@@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000435872211 277267361 /nfs/dbraw/zinc/26/73/61/277267361.db2.gz XGHKPHWSRGNQCN-ZDUSSCGKSA-N 2 1 318.383 3.324 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422997608 277387423 /nfs/dbraw/zinc/38/74/23/277387423.db2.gz ONXRSRCUDZPKHU-FCGDIQPGSA-N 2 1 307.526 3.007 20 0 DGADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000337999350 277722815 /nfs/dbraw/zinc/72/28/15/277722815.db2.gz OFUBXBGSBHSPDM-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)C[NH+](C)C ZINC000425914290 278286499 /nfs/dbraw/zinc/28/64/99/278286499.db2.gz BOFCFTIZSTWRGZ-KSSFIOAISA-N 2 1 302.462 3.176 20 0 DGADMP C[C@@H]([NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)C1C[NH2+]C1 ZINC000423030280 278380297 /nfs/dbraw/zinc/38/02/97/278380297.db2.gz VYDWXRMVSQSBSD-FZKQIMNGSA-N 2 1 315.848 3.216 20 0 DGADMP C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420921822 278380472 /nfs/dbraw/zinc/38/04/72/278380472.db2.gz DNBFXLKJKKPJQE-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420921822 278380473 /nfs/dbraw/zinc/38/04/73/278380473.db2.gz DNBFXLKJKKPJQE-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000108371247 431137439 /nfs/dbraw/zinc/13/74/39/431137439.db2.gz JJNQULAEWIDETF-UHFFFAOYSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448034453 279306369 /nfs/dbraw/zinc/30/63/69/279306369.db2.gz ITURDFLPSZFTAH-FGTMMUONSA-N 2 1 318.509 3.300 20 0 DGADMP COc1ccnc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113933991 431367841 /nfs/dbraw/zinc/36/78/41/431367841.db2.gz VANQFMGAURRYGK-DLBZAZTESA-N 2 1 317.477 3.177 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC000115628525 431467467 /nfs/dbraw/zinc/46/74/67/431467467.db2.gz HDLQJXDPVJVPEH-CRAIPNDOSA-N 2 1 308.441 3.052 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC000115628525 431467473 /nfs/dbraw/zinc/46/74/73/431467473.db2.gz HDLQJXDPVJVPEH-CRAIPNDOSA-N 2 1 308.441 3.052 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000076003704 431515865 /nfs/dbraw/zinc/51/58/65/431515865.db2.gz JWPAEGRXUMKDEQ-SFHVURJKSA-N 2 1 304.478 3.428 20 0 DGADMP c1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834427 431498679 /nfs/dbraw/zinc/49/86/79/431498679.db2.gz SCJGMCSYUONEAW-GOSISDBHSA-N 2 1 302.462 3.263 20 0 DGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076000854 431514847 /nfs/dbraw/zinc/51/48/47/431514847.db2.gz MZNCXABKCZGFTG-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076000854 431514856 /nfs/dbraw/zinc/51/48/56/431514856.db2.gz MZNCXABKCZGFTG-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP C[N@H+](Cc1ccc(F)c2cccnc12)C[C@H]1CCC[NH+](C)C1 ZINC000118841339 431621117 /nfs/dbraw/zinc/62/11/17/431621117.db2.gz AVHWKGVFDHHXSN-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@H]1CCC[N@H+](C)C1 ZINC000118841339 431621121 /nfs/dbraw/zinc/62/11/21/431621121.db2.gz AVHWKGVFDHHXSN-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841339 431621127 /nfs/dbraw/zinc/62/11/27/431621127.db2.gz AVHWKGVFDHHXSN-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)C3CCCC3)CC2)nc(C)[nH+]1 ZINC000162307767 280545639 /nfs/dbraw/zinc/54/56/39/280545639.db2.gz BKVXXFXSAUEDQI-CQSZACIVSA-N 2 1 302.466 3.231 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123029240 431852365 /nfs/dbraw/zinc/85/23/65/431852365.db2.gz IWAQKUOQZLENTO-FUHIMQAGSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123029240 431852367 /nfs/dbraw/zinc/85/23/67/431852367.db2.gz IWAQKUOQZLENTO-FUHIMQAGSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123029240 431852370 /nfs/dbraw/zinc/85/23/70/431852370.db2.gz IWAQKUOQZLENTO-FUHIMQAGSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123029240 431852372 /nfs/dbraw/zinc/85/23/72/431852372.db2.gz IWAQKUOQZLENTO-FUHIMQAGSA-N 2 1 315.505 3.101 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000123508313 431867343 /nfs/dbraw/zinc/86/73/43/431867343.db2.gz GMQKUWVTUHNGTD-QZTJIDSGSA-N 2 1 306.494 3.331 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@H](C)C1 ZINC000089543239 431870359 /nfs/dbraw/zinc/87/03/59/431870359.db2.gz YSQSGGXDCMAWLT-CJNGLKHVSA-N 2 1 312.404 3.150 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253568 431908403 /nfs/dbraw/zinc/90/84/03/431908403.db2.gz OSWQZTSYKOOYMF-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253568 431908404 /nfs/dbraw/zinc/90/84/04/431908404.db2.gz OSWQZTSYKOOYMF-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253568 431908406 /nfs/dbraw/zinc/90/84/06/431908406.db2.gz OSWQZTSYKOOYMF-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000125163036 431916827 /nfs/dbraw/zinc/91/68/27/431916827.db2.gz HWKJHDMZFULKDZ-APWZRJJASA-N 2 1 304.478 3.473 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000044534949 431875379 /nfs/dbraw/zinc/87/53/79/431875379.db2.gz YTKKJASRQJTJMB-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000044534949 431875382 /nfs/dbraw/zinc/87/53/82/431875382.db2.gz YTKKJASRQJTJMB-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC000124160602 431884513 /nfs/dbraw/zinc/88/45/13/431884513.db2.gz SKVBVXHLDYUREX-HOCLYGCPSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000089909837 431885268 /nfs/dbraw/zinc/88/52/68/431885268.db2.gz UCGGVAWUOOESLH-QRQLOZEOSA-N 2 1 308.510 3.266 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000124203258 431886049 /nfs/dbraw/zinc/88/60/49/431886049.db2.gz JKDQXJRWICXUDE-RNKNFESXSA-N 2 1 316.489 3.433 20 0 DGADMP CO[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000090173213 431889967 /nfs/dbraw/zinc/88/99/67/431889967.db2.gz SUXIYMYMISCGMX-KFZJALRRSA-N 2 1 310.869 3.346 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000090586637 431893100 /nfs/dbraw/zinc/89/31/00/431893100.db2.gz DSKQGOPEXKCKMW-JKSUJKDBSA-N 2 1 318.461 3.434 20 0 DGADMP COCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000124499829 431895754 /nfs/dbraw/zinc/89/57/54/431895754.db2.gz ICAKQYXMRHUJRD-UXDRXVOSSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000124505133 431896428 /nfs/dbraw/zinc/89/64/28/431896428.db2.gz GHHOARVUJVKPJK-OAHLLOKOSA-N 2 1 323.912 3.264 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CCCn1ccnc1C)C2 ZINC000127606250 431976408 /nfs/dbraw/zinc/97/64/08/431976408.db2.gz PAUOUXGXFDEHLA-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000127606250 431976414 /nfs/dbraw/zinc/97/64/14/431976414.db2.gz PAUOUXGXFDEHLA-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000125474134 431926772 /nfs/dbraw/zinc/92/67/72/431926772.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125474134 431926773 /nfs/dbraw/zinc/92/67/73/431926773.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125474134 431926775 /nfs/dbraw/zinc/92/67/75/431926775.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000125474134 431926777 /nfs/dbraw/zinc/92/67/77/431926777.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000125474134 431926778 /nfs/dbraw/zinc/92/67/78/431926778.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125474134 431926780 /nfs/dbraw/zinc/92/67/80/431926780.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125474134 431926781 /nfs/dbraw/zinc/92/67/81/431926781.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 2 1 321.553 3.447 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000125483860 431927612 /nfs/dbraw/zinc/92/76/12/431927612.db2.gz NBJLBCOFGQEDQU-UHFFFAOYSA-N 2 1 305.466 3.397 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000125483860 431927614 /nfs/dbraw/zinc/92/76/14/431927614.db2.gz NBJLBCOFGQEDQU-UHFFFAOYSA-N 2 1 305.466 3.397 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000098150337 431980223 /nfs/dbraw/zinc/98/02/23/431980223.db2.gz MKCUXLHPVTYZCS-AEFFLSMTSA-N 2 1 322.880 3.010 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126776156 431958195 /nfs/dbraw/zinc/95/81/95/431958195.db2.gz RGWIQZCSVHZQDM-IKGGRYGDSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776156 431958196 /nfs/dbraw/zinc/95/81/96/431958196.db2.gz RGWIQZCSVHZQDM-IKGGRYGDSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776156 431958197 /nfs/dbraw/zinc/95/81/97/431958197.db2.gz RGWIQZCSVHZQDM-IKGGRYGDSA-N 3 1 321.534 3.032 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000127388453 431970541 /nfs/dbraw/zinc/97/05/41/431970541.db2.gz GGDSAIUKADOFGP-RCDICMHDSA-N 2 1 319.474 3.012 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000127388453 431970542 /nfs/dbraw/zinc/97/05/42/431970542.db2.gz GGDSAIUKADOFGP-RCDICMHDSA-N 2 1 319.474 3.012 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248186770 432274393 /nfs/dbraw/zinc/27/43/93/432274393.db2.gz XMWRZDHMDPZAMA-ICSRJNTNSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248186770 432274397 /nfs/dbraw/zinc/27/43/97/432274397.db2.gz XMWRZDHMDPZAMA-ICSRJNTNSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248186770 432274399 /nfs/dbraw/zinc/27/43/99/432274399.db2.gz XMWRZDHMDPZAMA-ICSRJNTNSA-N 2 1 316.489 3.488 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174281 432274717 /nfs/dbraw/zinc/27/47/17/432274717.db2.gz VHEAJJVMEOKEBR-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174281 432274722 /nfs/dbraw/zinc/27/47/22/432274722.db2.gz VHEAJJVMEOKEBR-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174281 432274724 /nfs/dbraw/zinc/27/47/24/432274724.db2.gz VHEAJJVMEOKEBR-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174281 432274727 /nfs/dbraw/zinc/27/47/27/432274727.db2.gz VHEAJJVMEOKEBR-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174281 432274730 /nfs/dbraw/zinc/27/47/30/432274730.db2.gz VHEAJJVMEOKEBR-SUMWQHHRSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248461310 432295112 /nfs/dbraw/zinc/29/51/12/432295112.db2.gz XIECTHVVBBUCPB-UWJYYQICSA-N 2 1 324.468 3.494 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000173745081 432297504 /nfs/dbraw/zinc/29/75/04/432297504.db2.gz JNBDWONIDUDVMC-CYBMUJFWSA-N 2 1 316.367 3.011 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000173745081 432297508 /nfs/dbraw/zinc/29/75/08/432297508.db2.gz JNBDWONIDUDVMC-CYBMUJFWSA-N 2 1 316.367 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000152080051 432302481 /nfs/dbraw/zinc/30/24/81/432302481.db2.gz UQYIVARFMVNXTQ-VKJFTORMSA-N 2 1 308.441 3.303 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000128656353 431997847 /nfs/dbraw/zinc/99/78/47/431997847.db2.gz YWOFAOFBPCNVKX-LJQANCHMSA-N 2 1 317.521 3.290 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000248024664 432261982 /nfs/dbraw/zinc/26/19/82/432261982.db2.gz ONKPKYWFWOKJIK-GXTWGEPZSA-N 2 1 316.367 3.405 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000248024664 432261986 /nfs/dbraw/zinc/26/19/86/432261986.db2.gz ONKPKYWFWOKJIK-GXTWGEPZSA-N 2 1 316.367 3.405 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000270586969 432262466 /nfs/dbraw/zinc/26/24/66/432262466.db2.gz DKWBAXPGEFVVOY-IBGZPJMESA-N 2 1 306.413 3.356 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270607931 432262856 /nfs/dbraw/zinc/26/28/56/432262856.db2.gz HVCSGEKYMKHHAP-JKSUJKDBSA-N 2 1 319.474 3.231 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270607931 432262860 /nfs/dbraw/zinc/26/28/60/432262860.db2.gz HVCSGEKYMKHHAP-JKSUJKDBSA-N 2 1 319.474 3.231 20 0 DGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183189575 432266307 /nfs/dbraw/zinc/26/63/07/432266307.db2.gz JTIAXJICFNPWPA-HRCADAONSA-N 2 1 324.509 3.349 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000248057298 432267302 /nfs/dbraw/zinc/26/73/02/432267302.db2.gz XOFDSSJGFUSIJA-DTTOXWODSA-N 2 1 323.912 3.261 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248821801 432319807 /nfs/dbraw/zinc/31/98/07/432319807.db2.gz XHVWUIPWFWDOIS-XWTMOSNGSA-N 2 1 306.494 3.044 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248902708 432326621 /nfs/dbraw/zinc/32/66/21/432326621.db2.gz XLIGJTQCCNJEEQ-SJORKVTESA-N 2 1 314.473 3.333 20 0 DGADMP CN(Cc1ncc(-c2cccs2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152383369 432328670 /nfs/dbraw/zinc/32/86/70/432328670.db2.gz USYOTFMVXNCVAX-CYBMUJFWSA-N 2 1 305.447 3.177 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152402141 432329937 /nfs/dbraw/zinc/32/99/37/432329937.db2.gz NLEVIJLUXSWGPW-CXAGYDPISA-N 2 1 304.409 3.113 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152402141 432329940 /nfs/dbraw/zinc/32/99/40/432329940.db2.gz NLEVIJLUXSWGPW-CXAGYDPISA-N 2 1 304.409 3.113 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000152457723 432333869 /nfs/dbraw/zinc/33/38/69/432333869.db2.gz YRMDHZAMABMBPZ-UONOGXRCSA-N 2 1 305.441 3.027 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249046024 432334045 /nfs/dbraw/zinc/33/40/45/432334045.db2.gz WAPDLCUUZOBBDU-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249052820 432336571 /nfs/dbraw/zinc/33/65/71/432336571.db2.gz XXZJDIBSALBHLO-UHZRXMQZSA-N 2 1 314.473 3.339 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000183951740 432338201 /nfs/dbraw/zinc/33/82/01/432338201.db2.gz QABSMHGNEWFKMJ-HNNXBMFYSA-N 2 1 317.477 3.418 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000249371213 432346492 /nfs/dbraw/zinc/34/64/92/432346492.db2.gz BQYRWLCGWDDENI-OLZOCXBDSA-N 2 1 311.267 3.442 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000248592111 432304848 /nfs/dbraw/zinc/30/48/48/432304848.db2.gz ZHDJJIZENVPDSM-QZTJIDSGSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)CC3CCCCC3)C2)CC1 ZINC000248647484 432310259 /nfs/dbraw/zinc/31/02/59/432310259.db2.gz SZDMUVCLSONZAB-UYAOXDASSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248729312 432314496 /nfs/dbraw/zinc/31/44/96/432314496.db2.gz KKHOMWHONLNPBT-ZJPYXAASSA-N 2 1 306.494 3.046 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(C)c2)[C@@H](C)C1 ZINC000248730885 432314855 /nfs/dbraw/zinc/31/48/55/432314855.db2.gz OMKQETKNLKQJAM-LNLFQRSKSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(C)c2)[C@@H](C)C1 ZINC000248730885 432314861 /nfs/dbraw/zinc/31/48/61/432314861.db2.gz OMKQETKNLKQJAM-LNLFQRSKSA-N 2 1 319.493 3.178 20 0 DGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000184267015 432372895 /nfs/dbraw/zinc/37/28/95/432372895.db2.gz GBDPRWJFVJWWQG-KRWDZBQOSA-N 2 1 309.457 3.489 20 0 DGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000184267015 432372898 /nfs/dbraw/zinc/37/28/98/432372898.db2.gz GBDPRWJFVJWWQG-KRWDZBQOSA-N 2 1 309.457 3.489 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000153158354 432387329 /nfs/dbraw/zinc/38/73/29/432387329.db2.gz BHYZODWWASWAOO-GOEBONIOSA-N 2 1 320.477 3.054 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000252982223 432388622 /nfs/dbraw/zinc/38/86/22/432388622.db2.gz VKMRLYPHHWUYCM-DZKIICNBSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000252982223 432388628 /nfs/dbraw/zinc/38/86/28/432388628.db2.gz VKMRLYPHHWUYCM-DZKIICNBSA-N 2 1 323.278 3.317 20 0 DGADMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153248786 432394252 /nfs/dbraw/zinc/39/42/52/432394252.db2.gz HTHGESXNTCMTIY-KRWDZBQOSA-N 2 1 318.505 3.487 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000271447722 432397761 /nfs/dbraw/zinc/39/77/61/432397761.db2.gz DDYQCHHGDANMLF-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000271447722 432397767 /nfs/dbraw/zinc/39/77/67/432397767.db2.gz DDYQCHHGDANMLF-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350268 432400476 /nfs/dbraw/zinc/40/04/76/432400476.db2.gz BJRDHHGTPIEGKR-RKVPGOIHSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350268 432400479 /nfs/dbraw/zinc/40/04/79/432400479.db2.gz BJRDHHGTPIEGKR-RKVPGOIHSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H](C(=O)Nc1cccc(-c2ncc[nH]2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000152788570 432357108 /nfs/dbraw/zinc/35/71/08/432357108.db2.gz ONQAJQVDLHYFRD-MJBXVCDLSA-N 2 1 312.417 3.277 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000249787429 432357846 /nfs/dbraw/zinc/35/78/46/432357846.db2.gz DRSVSNAYHJRJKW-YFYLHZKVSA-N 2 1 311.429 3.399 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000249787426 432358363 /nfs/dbraw/zinc/35/83/63/432358363.db2.gz DRSVSNAYHJRJKW-NOENWEJRSA-N 2 1 311.429 3.399 20 0 DGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000250112681 432364203 /nfs/dbraw/zinc/36/42/03/432364203.db2.gz TWQCFZRXVFRMQL-PMACEKPBSA-N 2 1 318.505 3.080 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000261550159 432430276 /nfs/dbraw/zinc/43/02/76/432430276.db2.gz PJIUCFUHHILFNN-OXJNMPFZSA-N 2 1 310.441 3.435 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000153719141 432436422 /nfs/dbraw/zinc/43/64/22/432436422.db2.gz HPAQYBUWJFKJJA-LMMKCTJWSA-N 2 1 316.489 3.370 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000261662085 432439620 /nfs/dbraw/zinc/43/96/20/432439620.db2.gz JGRKKTXTNBJFIJ-GOSISDBHSA-N 2 1 301.478 3.357 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000261684830 432440357 /nfs/dbraw/zinc/44/03/57/432440357.db2.gz IMEXSZRQPNYQSZ-FGTMMUONSA-N 2 1 318.461 3.104 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193036495 432442384 /nfs/dbraw/zinc/44/23/84/432442384.db2.gz QNYQVISVLPPUNK-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193036495 432442389 /nfs/dbraw/zinc/44/23/89/432442389.db2.gz QNYQVISVLPPUNK-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP CCCOc1ccc(OCC[N@@H+](CCC)C2CC[NH2+]CC2)cc1 ZINC000261740077 432446443 /nfs/dbraw/zinc/44/64/43/432446443.db2.gz NTGVWWIHTCJCSH-UHFFFAOYSA-N 2 1 320.477 3.318 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]12 ZINC000261802106 432451605 /nfs/dbraw/zinc/45/16/05/432451605.db2.gz HBDHAZPDPVXYBG-KBRIMQKVSA-N 2 1 320.864 3.298 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]12 ZINC000261802106 432451606 /nfs/dbraw/zinc/45/16/06/432451606.db2.gz HBDHAZPDPVXYBG-KBRIMQKVSA-N 2 1 320.864 3.298 20 0 DGADMP CC(C)CC[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192761389 432410670 /nfs/dbraw/zinc/41/06/70/432410670.db2.gz JKZNNNIDRANGOI-IBGZPJMESA-N 2 1 309.542 3.303 20 0 DGADMP Fc1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000271529576 432415413 /nfs/dbraw/zinc/41/54/13/432415413.db2.gz KGKJFVJEAZGRAT-QZTJIDSGSA-N 2 1 302.437 3.365 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000153621258 432425972 /nfs/dbraw/zinc/42/59/72/432425972.db2.gz FSUXTVSOEDFJQP-IEBWSBKVSA-N 2 1 315.505 3.161 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2ccc3c(c2)CCO3)CC1 ZINC000193240885 432459020 /nfs/dbraw/zinc/45/90/20/432459020.db2.gz BFGMUJKGCUWKKS-UHFFFAOYSA-N 2 1 316.489 3.360 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000262391761 432485201 /nfs/dbraw/zinc/48/52/01/432485201.db2.gz ZYYCJMZJUBWKPJ-BPLDGKMQSA-N 2 1 314.351 3.144 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]12 ZINC000262449773 432485959 /nfs/dbraw/zinc/48/59/59/432485959.db2.gz HPYFNFUDUWLECV-VBNZEHGJSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]12 ZINC000262449773 432485960 /nfs/dbraw/zinc/48/59/60/432485960.db2.gz HPYFNFUDUWLECV-VBNZEHGJSA-N 2 1 317.820 3.164 20 0 DGADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000272352585 432488111 /nfs/dbraw/zinc/48/81/11/432488111.db2.gz QTTHHIUZTWUCEE-NEWSRXKRSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C(C)C ZINC000262585563 432493584 /nfs/dbraw/zinc/49/35/84/432493584.db2.gz ZRQMWBQRHGETEK-IRXDYDNUSA-N 2 1 302.462 3.039 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272429554 432500416 /nfs/dbraw/zinc/50/04/16/432500416.db2.gz QCVYGXCVJUHNEQ-AFYVEPGGSA-N 2 1 324.472 3.057 20 0 DGADMP C[C@@H](Cn1cccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272429559 432501123 /nfs/dbraw/zinc/50/11/23/432501123.db2.gz QCVYGXCVJUHNEQ-FFGOWVMKSA-N 2 1 324.472 3.057 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCOCC2CC2)C3)cc1 ZINC000272450269 432504433 /nfs/dbraw/zinc/50/44/33/432504433.db2.gz VTVRLBNVCQDOGJ-ACDBMABISA-N 2 1 314.473 3.198 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)cc1 ZINC000272458514 432506334 /nfs/dbraw/zinc/50/63/34/432506334.db2.gz QKSIUDPBHFEPNP-GJZGRUSLSA-N 2 1 301.434 3.382 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635425 432510969 /nfs/dbraw/zinc/51/09/69/432510969.db2.gz YRDAVNBTDGVMAN-CMPLNLGQSA-N 2 1 302.340 3.172 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635425 432510972 /nfs/dbraw/zinc/51/09/72/432510972.db2.gz YRDAVNBTDGVMAN-CMPLNLGQSA-N 2 1 302.340 3.172 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195187 432460508 /nfs/dbraw/zinc/46/05/08/432460508.db2.gz NITRMTASULPQLE-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC000261926911 432461426 /nfs/dbraw/zinc/46/14/26/432461426.db2.gz SIQIXHMNZSBXDK-ZOCIIQOWSA-N 2 1 310.441 3.408 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261925713 432462310 /nfs/dbraw/zinc/46/23/10/432462310.db2.gz KZSJCOMXIPVCKA-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]21 ZINC000261978008 432465866 /nfs/dbraw/zinc/46/58/66/432465866.db2.gz QZIOHEYRVHVZCJ-ZMLRMANQSA-N 2 1 304.381 3.326 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]21 ZINC000261978008 432465868 /nfs/dbraw/zinc/46/58/68/432465868.db2.gz QZIOHEYRVHVZCJ-ZMLRMANQSA-N 2 1 304.381 3.326 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000261967549 432466480 /nfs/dbraw/zinc/46/64/80/432466480.db2.gz BUUOVSFFRCEBTG-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP C[NH+](C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000154059132 432469020 /nfs/dbraw/zinc/46/90/20/432469020.db2.gz ZNHGWEPHQMVEEU-SFHVURJKSA-N 2 1 319.493 3.269 20 0 DGADMP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000273133474 432555332 /nfs/dbraw/zinc/55/53/32/432555332.db2.gz BOZNJRUXKIZTPH-LJQANCHMSA-N 2 1 311.404 3.162 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000273133474 432555335 /nfs/dbraw/zinc/55/53/35/432555335.db2.gz BOZNJRUXKIZTPH-LJQANCHMSA-N 2 1 311.404 3.162 20 0 DGADMP COC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969127 432513636 /nfs/dbraw/zinc/51/36/36/432513636.db2.gz SULYSRJFEQMTAK-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969127 432513639 /nfs/dbraw/zinc/51/36/39/432513639.db2.gz SULYSRJFEQMTAK-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969127 432513641 /nfs/dbraw/zinc/51/36/41/432513641.db2.gz SULYSRJFEQMTAK-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000194069406 432522025 /nfs/dbraw/zinc/52/20/25/432522025.db2.gz NLLNVKAPMYPALV-BBWFWOEESA-N 2 1 310.869 3.490 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000194069433 432522312 /nfs/dbraw/zinc/52/23/12/432522312.db2.gz NLLNVKAPMYPALV-ZACQAIPSSA-N 2 1 310.869 3.490 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000195134639 432608001 /nfs/dbraw/zinc/60/80/01/432608001.db2.gz JKPPYKLWPOICBA-QZTJIDSGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC000264044108 432608342 /nfs/dbraw/zinc/60/83/42/432608342.db2.gz KRZRLIVAUHVCHJ-YJBOKZPZSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000264044108 432608345 /nfs/dbraw/zinc/60/83/45/432608345.db2.gz KRZRLIVAUHVCHJ-YJBOKZPZSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000264044108 432608348 /nfs/dbraw/zinc/60/83/48/432608348.db2.gz KRZRLIVAUHVCHJ-YJBOKZPZSA-N 2 1 315.461 3.094 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000273607748 432616780 /nfs/dbraw/zinc/61/67/80/432616780.db2.gz NMKKIACANAQNRT-UHFFFAOYSA-N 2 1 312.392 3.100 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CCC[NH+](C)C1 ZINC000186276898 432576711 /nfs/dbraw/zinc/57/67/11/432576711.db2.gz DZFHNZYHGPBDOG-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CCC[NH+](C)C1 ZINC000186276898 432576712 /nfs/dbraw/zinc/57/67/12/432576712.db2.gz DZFHNZYHGPBDOG-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CCC[N@H+](C)C1 ZINC000186276898 432576716 /nfs/dbraw/zinc/57/67/16/432576716.db2.gz DZFHNZYHGPBDOG-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000186276898 432576718 /nfs/dbraw/zinc/57/67/18/432576718.db2.gz DZFHNZYHGPBDOG-MRXNPFEDSA-N 2 1 318.461 3.105 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177033583 432578582 /nfs/dbraw/zinc/57/85/82/432578582.db2.gz GWWTXUQFYYGPRK-UHFFFAOYSA-N 2 1 322.412 3.298 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000194884766 432583793 /nfs/dbraw/zinc/58/37/93/432583793.db2.gz GILSOVZKNCGOAF-MRXNPFEDSA-N 2 1 321.534 3.087 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](C)C3)oc21 ZINC000194989123 432592970 /nfs/dbraw/zinc/59/29/70/432592970.db2.gz IHRPDZOYECAYDD-KBPBESRZSA-N 2 1 302.418 3.434 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C)C3)oc21 ZINC000194989123 432592973 /nfs/dbraw/zinc/59/29/73/432592973.db2.gz IHRPDZOYECAYDD-KBPBESRZSA-N 2 1 302.418 3.434 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000273461150 432600407 /nfs/dbraw/zinc/60/04/07/432600407.db2.gz QKZBIKKAQXCWCH-PILAGYSTSA-N 2 1 306.425 3.118 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000273461150 432600413 /nfs/dbraw/zinc/60/04/13/432600413.db2.gz QKZBIKKAQXCWCH-PILAGYSTSA-N 2 1 306.425 3.118 20 0 DGADMP C[C@H]1CCC[N@@H+](CCNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000156657392 432602937 /nfs/dbraw/zinc/60/29/37/432602937.db2.gz LTGVWEKIHDORHG-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000157863208 432630932 /nfs/dbraw/zinc/63/09/32/432630932.db2.gz LFDZCGIRNDOFME-GJZGRUSLSA-N 2 1 304.482 3.399 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000195632308 432631488 /nfs/dbraw/zinc/63/14/88/432631488.db2.gz NBHIXCUGFUDTHF-UHFFFAOYSA-N 2 1 304.434 3.113 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000195632308 432631490 /nfs/dbraw/zinc/63/14/90/432631490.db2.gz NBHIXCUGFUDTHF-UHFFFAOYSA-N 2 1 304.434 3.113 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000264343540 432637159 /nfs/dbraw/zinc/63/71/59/432637159.db2.gz DYVYIPGICDKBHA-QFBILLFUSA-N 2 1 304.478 3.162 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182487 432640017 /nfs/dbraw/zinc/64/00/17/432640017.db2.gz VNHSXQSFBORTDQ-NVXWUHKLSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158859275 432660495 /nfs/dbraw/zinc/66/04/95/432660495.db2.gz VKQOHGQMRMZATL-MJGOQNOKSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158896385 432662013 /nfs/dbraw/zinc/66/20/13/432662013.db2.gz UZSRPVVCTQOHJZ-QZTJIDSGSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158896385 432662017 /nfs/dbraw/zinc/66/20/17/432662017.db2.gz UZSRPVVCTQOHJZ-QZTJIDSGSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158896385 432662023 /nfs/dbraw/zinc/66/20/23/432662023.db2.gz UZSRPVVCTQOHJZ-QZTJIDSGSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000158911911 432662304 /nfs/dbraw/zinc/66/23/04/432662304.db2.gz YWMJDFHXERNKHR-IEBWSBKVSA-N 2 1 304.478 3.047 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000177838769 432666318 /nfs/dbraw/zinc/66/63/18/432666318.db2.gz AFHQADOKZRQFHD-UHFFFAOYSA-N 2 1 316.493 3.034 20 0 DGADMP C[C@@H]1C[C@@H](NCc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102128 432694258 /nfs/dbraw/zinc/69/42/58/432694258.db2.gz MWHYLSRLYDSDEV-PBHICJAKSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCN1C ZINC000178102128 432694261 /nfs/dbraw/zinc/69/42/61/432694261.db2.gz MWHYLSRLYDSDEV-PBHICJAKSA-N 2 1 318.461 3.214 20 0 DGADMP COCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000178166799 432701493 /nfs/dbraw/zinc/70/14/93/432701493.db2.gz DYCIOBKMPGPSLO-QGZVFWFLSA-N 2 1 304.478 3.364 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Br)C[C@H]21 ZINC000228475009 432718025 /nfs/dbraw/zinc/71/80/25/432718025.db2.gz CBEMFRYXCQZYNI-UXIGCNINSA-N 2 1 309.251 3.008 20 0 DGADMP C[C@H]([NH2+]CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928824 432720428 /nfs/dbraw/zinc/72/04/28/432720428.db2.gz QLLKXDWTTJUJEN-PKOBYXMFSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937798 432720806 /nfs/dbraw/zinc/72/08/06/432720806.db2.gz SKONAIZZTNIGAP-DUXKGJEZSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937798 432720808 /nfs/dbraw/zinc/72/08/08/432720808.db2.gz SKONAIZZTNIGAP-DUXKGJEZSA-N 2 1 324.468 3.220 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)COCc2ccccc2)[C@H](C)C1 ZINC000177951771 432677237 /nfs/dbraw/zinc/67/72/37/432677237.db2.gz CDLFPUVWYMTFLY-LMMKCTJWSA-N 2 1 304.478 3.159 20 0 DGADMP CCCCc1nc2ccc(NC(=O)[C@@H](CC)[NH+](C)C)cc2[nH]1 ZINC000177971393 432679822 /nfs/dbraw/zinc/67/98/22/432679822.db2.gz RCXMXASXSGCBGD-OAHLLOKOSA-N 2 1 302.422 3.184 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000178036284 432687103 /nfs/dbraw/zinc/68/71/03/432687103.db2.gz QFNPUVFIAIPDFM-ILXRZTDVSA-N 2 1 306.450 3.146 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000178036284 432687105 /nfs/dbraw/zinc/68/71/05/432687105.db2.gz QFNPUVFIAIPDFM-ILXRZTDVSA-N 2 1 306.450 3.146 20 0 DGADMP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000187882174 432691877 /nfs/dbraw/zinc/69/18/77/432691877.db2.gz DKVAMRWGXFZLME-YESZJQIVSA-N 2 1 322.468 3.236 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000275770555 432747833 /nfs/dbraw/zinc/74/78/33/432747833.db2.gz UXEBIHLLPOQUKH-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP COC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237239516 432782049 /nfs/dbraw/zinc/78/20/49/432782049.db2.gz QMEWSTCQWXGQSP-BBWFWOEESA-N 2 1 304.478 3.289 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000237254885 432782073 /nfs/dbraw/zinc/78/20/73/432782073.db2.gz YDBNYGHHXLQMNR-IRXDYDNUSA-N 2 1 304.478 3.480 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000178697869 432767770 /nfs/dbraw/zinc/76/77/70/432767770.db2.gz ZDOYARIPFKGHDK-DYVFJYSZSA-N 2 1 317.408 3.470 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(F)c1 ZINC000178696656 432768964 /nfs/dbraw/zinc/76/89/64/432768964.db2.gz DKGPHMPUCRZPKG-QWHCGFSZSA-N 2 1 305.397 3.326 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCS2 ZINC000276158496 432777984 /nfs/dbraw/zinc/77/79/84/432777984.db2.gz QIMBOPDZCLFLPS-MRXNPFEDSA-N 2 1 304.459 3.084 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1 ZINC000237246857 432781332 /nfs/dbraw/zinc/78/13/32/432781332.db2.gz IJOCSSGMWSCKTJ-MRXNPFEDSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1 ZINC000237246857 432781337 /nfs/dbraw/zinc/78/13/37/432781337.db2.gz IJOCSSGMWSCKTJ-MRXNPFEDSA-N 2 1 304.478 3.480 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275661381 432738032 /nfs/dbraw/zinc/73/80/32/432738032.db2.gz GCNHFOZXAGDIIC-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1O ZINC000277265361 432832501 /nfs/dbraw/zinc/83/25/01/432832501.db2.gz QXMKWXCJPHKTDV-OAHLLOKOSA-N 2 1 320.477 3.186 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000245503136 432837543 /nfs/dbraw/zinc/83/75/43/432837543.db2.gz HPAQYBUWJFKJJA-ZIFCJYIRSA-N 2 1 316.489 3.370 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000178955308 432791244 /nfs/dbraw/zinc/79/12/44/432791244.db2.gz VLRNZUHLVSFXDO-VQTJNVASSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178955308 432791249 /nfs/dbraw/zinc/79/12/49/432791249.db2.gz VLRNZUHLVSFXDO-VQTJNVASSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178955308 432791251 /nfs/dbraw/zinc/79/12/51/432791251.db2.gz VLRNZUHLVSFXDO-VQTJNVASSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000178955308 432791257 /nfs/dbraw/zinc/79/12/57/432791257.db2.gz VLRNZUHLVSFXDO-VQTJNVASSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000178955308 432791262 /nfs/dbraw/zinc/79/12/62/432791262.db2.gz VLRNZUHLVSFXDO-VQTJNVASSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178955308 432791266 /nfs/dbraw/zinc/79/12/66/432791266.db2.gz VLRNZUHLVSFXDO-VQTJNVASSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178955308 432791269 /nfs/dbraw/zinc/79/12/69/432791269.db2.gz VLRNZUHLVSFXDO-VQTJNVASSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)(C)OC(=O)CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178960163 432791902 /nfs/dbraw/zinc/79/19/02/432791902.db2.gz NCVNYWJNIFLLQU-HZPDHXFCSA-N 2 1 310.482 3.105 20 0 DGADMP Clc1ccc([C@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178974165 432792100 /nfs/dbraw/zinc/79/21/00/432792100.db2.gz ATXJXAXFIKVTOS-MRXNPFEDSA-N 2 1 310.894 3.430 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000161948368 432805625 /nfs/dbraw/zinc/80/56/25/432805625.db2.gz FXZGCQZLLAYKQN-ZBFHGGJFSA-N 2 1 315.486 3.425 20 0 DGADMP Cc1cccc(NC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162015111 432808784 /nfs/dbraw/zinc/80/87/84/432808784.db2.gz TYNCMWFKESSARY-LJQANCHMSA-N 2 1 301.478 3.356 20 0 DGADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000162132312 432813256 /nfs/dbraw/zinc/81/32/56/432813256.db2.gz BLPBSGBHPNZKCF-YLJYHZDGSA-N 2 1 315.505 3.032 20 0 DGADMP FC(F)(F)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc1 ZINC000277567933 432861441 /nfs/dbraw/zinc/86/14/41/432861441.db2.gz BAHKYRVYDHTXIS-UHFFFAOYSA-N 2 1 310.323 3.203 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788677 432862996 /nfs/dbraw/zinc/86/29/96/432862996.db2.gz ZWQWIULLQJEMKM-MKXGPGLRSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245847947 432865094 /nfs/dbraw/zinc/86/50/94/432865094.db2.gz FVDJDOMVVDYEFN-AEFFLSMTSA-N 2 1 304.478 3.198 20 0 DGADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000245919284 432869729 /nfs/dbraw/zinc/86/97/29/432869729.db2.gz GIVGCTOBNKJDDG-OALUTQOASA-N 2 1 319.537 3.392 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000245926008 432870711 /nfs/dbraw/zinc/87/07/11/432870711.db2.gz UCGGVAWUOOESLH-BHIYHBOVSA-N 2 1 308.510 3.266 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000246052518 432875206 /nfs/dbraw/zinc/87/52/06/432875206.db2.gz YICJOHJJFTVLKJ-HOTGVXAUSA-N 2 1 311.473 3.265 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000246051604 432875393 /nfs/dbraw/zinc/87/53/93/432875393.db2.gz CLEXNYNFMDEJEM-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000246051604 432875395 /nfs/dbraw/zinc/87/53/95/432875395.db2.gz CLEXNYNFMDEJEM-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c(F)c2)CCCO1 ZINC000277997885 432880237 /nfs/dbraw/zinc/88/02/37/432880237.db2.gz UYXGIBRQGMNRBR-CYBMUJFWSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(F)c2)CCCO1 ZINC000277997885 432880238 /nfs/dbraw/zinc/88/02/38/432880238.db2.gz UYXGIBRQGMNRBR-CYBMUJFWSA-N 2 1 314.832 3.070 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000278202269 432889315 /nfs/dbraw/zinc/88/93/15/432889315.db2.gz GSFJQHIKYNQUPK-PMACEKPBSA-N 2 1 316.489 3.307 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)cn1 ZINC000277342948 432840262 /nfs/dbraw/zinc/84/02/62/432840262.db2.gz VCUCZSDRFRLOIS-JKSUJKDBSA-N 2 1 316.474 3.195 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)cn1 ZINC000277342945 432840465 /nfs/dbraw/zinc/84/04/65/432840465.db2.gz VCUCZSDRFRLOIS-HZPDHXFCSA-N 2 1 316.474 3.195 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C[C@H](C)O1 ZINC000245561189 432844183 /nfs/dbraw/zinc/84/41/83/432844183.db2.gz NMBYDVIHBQDAFU-FGTMMUONSA-N 2 1 306.494 3.164 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000163364964 432850316 /nfs/dbraw/zinc/85/03/16/432850316.db2.gz JAMGVXFFUWAPQP-QGPMSJSTSA-N 2 1 321.896 3.239 20 0 DGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC[C@H](C)[NH3+])c1 ZINC000277467970 432853012 /nfs/dbraw/zinc/85/30/12/432853012.db2.gz JPHGUGVVKAOHKR-INIZCTEOSA-N 2 1 319.493 3.052 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000163541630 432855003 /nfs/dbraw/zinc/85/50/03/432855003.db2.gz BUNNPTSHLJKLSM-VQIMIIECSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000163541630 432855005 /nfs/dbraw/zinc/85/50/05/432855005.db2.gz BUNNPTSHLJKLSM-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000163541630 432855008 /nfs/dbraw/zinc/85/50/08/432855008.db2.gz BUNNPTSHLJKLSM-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000163541630 432855013 /nfs/dbraw/zinc/85/50/13/432855013.db2.gz BUNNPTSHLJKLSM-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245732498 432859330 /nfs/dbraw/zinc/85/93/30/432859330.db2.gz QKUOVHRDXZAMTG-USYVTKNRSA-N 2 1 314.473 3.075 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278972952 432923381 /nfs/dbraw/zinc/92/33/81/432923381.db2.gz NVCLNENSCKUVEJ-STQMWFEESA-N 2 1 316.474 3.132 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1ccnc1C ZINC000278982658 432923614 /nfs/dbraw/zinc/92/36/14/432923614.db2.gz RGABKNDDSDOTPM-INIZCTEOSA-N 2 1 307.825 3.164 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000278982658 432923618 /nfs/dbraw/zinc/92/36/18/432923618.db2.gz RGABKNDDSDOTPM-INIZCTEOSA-N 2 1 307.825 3.164 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279020329 432926797 /nfs/dbraw/zinc/92/67/97/432926797.db2.gz UVIWCIIMEGHGED-BZUAXINKSA-N 2 1 313.445 3.236 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCSC2)C3)cc1 ZINC000278795687 432901202 /nfs/dbraw/zinc/90/12/02/432901202.db2.gz QTVLPLLEUWTPRT-ZJPYXAASSA-N 2 1 302.487 3.277 20 0 DGADMP C[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000278842570 432907214 /nfs/dbraw/zinc/90/72/14/432907214.db2.gz KDNVJEOZKCDFOY-QGZVFWFLSA-N 2 1 302.462 3.025 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000154884498 292692736 /nfs/dbraw/zinc/69/27/36/292692736.db2.gz DCYORQXBBIVZQS-HXUWFJFHSA-N 2 1 318.505 3.263 20 0 DGADMP Fc1cccc(Cl)c1CCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000278876471 432912212 /nfs/dbraw/zinc/91/22/12/432912212.db2.gz NOENDRZXIBYAGY-CYBMUJFWSA-N 2 1 310.844 3.486 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000289589801 432968917 /nfs/dbraw/zinc/96/89/17/432968917.db2.gz BYMMBROFPGGBLH-VDGAXYAQSA-N 2 1 316.489 3.185 20 0 DGADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Cl)o3)CC2)nc(C)[nH+]1 ZINC000332118051 432974976 /nfs/dbraw/zinc/97/49/76/432974976.db2.gz HWHXFBKAHQAXRV-UHFFFAOYSA-N 2 1 320.824 3.098 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000297338996 432994116 /nfs/dbraw/zinc/99/41/16/432994116.db2.gz DIIIOIMLAXZJTK-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000297619637 433000284 /nfs/dbraw/zinc/00/02/84/433000284.db2.gz LELWJOOIAPYQAP-ROUUACIJSA-N 2 1 322.399 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000349423722 432957978 /nfs/dbraw/zinc/95/79/78/432957978.db2.gz MJSBNYVSJFKQDO-MJGOQNOKSA-N 2 1 316.489 3.039 20 0 DGADMP c1ccc2sc(CC[NH2+]C3CC[NH+](C4CC4)CC3)nc2c1 ZINC000298050725 433044833 /nfs/dbraw/zinc/04/48/33/433044833.db2.gz IRFXAYJARVIHKR-UHFFFAOYSA-N 2 1 301.459 3.055 20 0 DGADMP O[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000290176544 433007498 /nfs/dbraw/zinc/00/74/98/433007498.db2.gz FAPKQYZSVWJHNB-IBGZPJMESA-N 2 1 302.462 3.060 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000290223259 433015942 /nfs/dbraw/zinc/01/59/42/433015942.db2.gz RABPCTPDOXKTGG-DFQSSKMNSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000290234222 433018732 /nfs/dbraw/zinc/01/87/32/433018732.db2.gz ITVZLUGYYRFXNC-DYESRHJHSA-N 2 1 324.468 3.363 20 0 DGADMP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290244479 433020385 /nfs/dbraw/zinc/02/03/85/433020385.db2.gz SWHYKFQLZOKVMJ-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP Fc1ccccc1N1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000297818728 433021872 /nfs/dbraw/zinc/02/18/72/433021872.db2.gz YTOFHAQIZUUTPS-MRXNPFEDSA-N 2 1 317.452 3.011 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000290324658 433031809 /nfs/dbraw/zinc/03/18/09/433031809.db2.gz DHDLYOSBGNZEND-UHFFFAOYSA-N 2 1 317.481 3.309 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000290324658 433031815 /nfs/dbraw/zinc/03/18/15/433031815.db2.gz DHDLYOSBGNZEND-UHFFFAOYSA-N 2 1 317.481 3.309 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417619 433047363 /nfs/dbraw/zinc/04/73/63/433047363.db2.gz KLJHWKSLUTXRDW-RHSMWYFYSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417619 433047365 /nfs/dbraw/zinc/04/73/65/433047365.db2.gz KLJHWKSLUTXRDW-RHSMWYFYSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417619 433047368 /nfs/dbraw/zinc/04/73/68/433047368.db2.gz KLJHWKSLUTXRDW-RHSMWYFYSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417619 433047369 /nfs/dbraw/zinc/04/73/69/433047369.db2.gz KLJHWKSLUTXRDW-RHSMWYFYSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418146 433048149 /nfs/dbraw/zinc/04/81/49/433048149.db2.gz KNVCYKLZVHMGIE-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418146 433048155 /nfs/dbraw/zinc/04/81/55/433048155.db2.gz KNVCYKLZVHMGIE-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418146 433048158 /nfs/dbraw/zinc/04/81/58/433048158.db2.gz KNVCYKLZVHMGIE-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418146 433048162 /nfs/dbraw/zinc/04/81/62/433048162.db2.gz KNVCYKLZVHMGIE-YOEHRIQHSA-N 2 1 302.462 3.172 20 0 DGADMP CN(CCC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl)CC[NH+](C)C ZINC000344032088 289132991 /nfs/dbraw/zinc/13/29/91/289132991.db2.gz PJCJLZKDFZWZPK-GOSISDBHSA-N 2 1 323.912 3.143 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000280450952 433053292 /nfs/dbraw/zinc/05/32/92/433053292.db2.gz DJHFNKSGSFHASL-CYBMUJFWSA-N 2 1 312.379 3.488 20 0 DGADMP OCCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000361266470 433067067 /nfs/dbraw/zinc/06/70/67/433067067.db2.gz NOYPQHZGALLSGL-HXUWFJFHSA-N 2 1 316.489 3.234 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)CC1 ZINC000277056903 289296416 /nfs/dbraw/zinc/29/64/16/289296416.db2.gz CVCNQRKUCXMYDJ-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453321129 433089828 /nfs/dbraw/zinc/08/98/28/433089828.db2.gz NSUBXEBIZJNNAA-JSSFPYSZSA-N 2 1 324.896 3.388 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cs2)[C@H](C)C1 ZINC000453326699 433092642 /nfs/dbraw/zinc/09/26/42/433092642.db2.gz VIJIIDIYQJLSFC-WBVHZDCISA-N 2 1 310.507 3.283 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000453376306 433132982 /nfs/dbraw/zinc/13/29/82/433132982.db2.gz PHOALKZDRKHLND-UHFFFAOYSA-N 2 1 308.416 3.314 20 0 DGADMP CCN(CCC[NH+]1CCCC1)c1cc[nH+]cc1Br ZINC000425255604 433135350 /nfs/dbraw/zinc/13/53/50/433135350.db2.gz NIKONHISLKTLOL-UHFFFAOYSA-N 2 1 312.255 3.156 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000420274412 433140045 /nfs/dbraw/zinc/14/00/45/433140045.db2.gz ONXWEGYUFXUDQR-UHFFFAOYSA-N 2 1 323.412 3.259 20 0 DGADMP COc1cccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000290699206 433145290 /nfs/dbraw/zinc/14/52/90/433145290.db2.gz NFPCAQRATOKSQS-IIDMSEBBSA-N 2 1 302.462 3.045 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388634 433145894 /nfs/dbraw/zinc/14/58/94/433145894.db2.gz BTYGFLBFIOOOHH-OAHLLOKOSA-N 2 1 314.477 3.348 20 0 DGADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000453387561 433146450 /nfs/dbraw/zinc/14/64/50/433146450.db2.gz FLDCUMHKJBZTBJ-KYZVSKTDSA-N 2 1 308.441 3.084 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453396428 433154709 /nfs/dbraw/zinc/15/47/09/433154709.db2.gz ISHYSVNZTCWGHK-SFHVURJKSA-N 2 1 318.461 3.373 20 0 DGADMP CC[N@@H+](CCc1cccs1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420297295 433148894 /nfs/dbraw/zinc/14/88/94/433148894.db2.gz CUTCEUHXZDTPOK-MRXNPFEDSA-N 2 1 318.486 3.364 20 0 DGADMP Oc1ccc([N@@H+](CCc2ccccc2)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420294138 433151283 /nfs/dbraw/zinc/15/12/83/433151283.db2.gz AQNMSDGBGNDSOK-SFHVURJKSA-N 2 1 310.441 3.441 20 0 DGADMP Oc1ccc([N@H+](CCc2ccccc2)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420294138 433151292 /nfs/dbraw/zinc/15/12/92/433151292.db2.gz AQNMSDGBGNDSOK-SFHVURJKSA-N 2 1 310.441 3.441 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)C1 ZINC000361396903 433151824 /nfs/dbraw/zinc/15/18/24/433151824.db2.gz VRKAAAYMLIUZSI-BCYZHJNNSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000361396903 433151831 /nfs/dbraw/zinc/15/18/31/433151831.db2.gz VRKAAAYMLIUZSI-BCYZHJNNSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)C1 ZINC000361396903 433151837 /nfs/dbraw/zinc/15/18/37/433151837.db2.gz VRKAAAYMLIUZSI-BCYZHJNNSA-N 2 1 308.510 3.122 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@H](C)C1 ZINC000290572941 433101607 /nfs/dbraw/zinc/10/16/07/433101607.db2.gz FIXIJODVOBPTHN-QAPCUYQASA-N 2 1 302.462 3.047 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290583817 433107124 /nfs/dbraw/zinc/10/71/24/433107124.db2.gz UTHWOVZIPPXPAZ-HNNXBMFYSA-N 2 1 301.434 3.326 20 0 DGADMP COc1ccc([C@@H](C)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290583817 433107135 /nfs/dbraw/zinc/10/71/35/433107135.db2.gz UTHWOVZIPPXPAZ-HNNXBMFYSA-N 2 1 301.434 3.326 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000350222313 433111407 /nfs/dbraw/zinc/11/14/07/433111407.db2.gz RSZQDYWIIJBCIW-CRAIPNDOSA-N 2 1 308.441 3.319 20 0 DGADMP CC(C)C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000361401710 433157503 /nfs/dbraw/zinc/15/75/03/433157503.db2.gz ZOKBDYZSKXDEKH-SFHVURJKSA-N 2 1 304.478 3.474 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420315742 433160481 /nfs/dbraw/zinc/16/04/81/433160481.db2.gz LFEDWRHOCTVOOR-YJBOKZPZSA-N 2 1 312.461 3.100 20 0 DGADMP Clc1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000420313428 433161039 /nfs/dbraw/zinc/16/10/39/433161039.db2.gz JVRCTAPQFOXOEG-LBPRGKRZSA-N 2 1 314.260 3.210 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000420319466 433161263 /nfs/dbraw/zinc/16/12/63/433161263.db2.gz ADPHOBORJPMOHR-IRXDYDNUSA-N 2 1 311.429 3.163 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCO1 ZINC000420318043 433161555 /nfs/dbraw/zinc/16/15/55/433161555.db2.gz VMEPJGPVQNHZKS-UFYCRDLUSA-N 2 1 316.489 3.228 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420316527 433161834 /nfs/dbraw/zinc/16/18/34/433161834.db2.gz SXCQQKUUUZXIHN-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cs1 ZINC000420316732 433162633 /nfs/dbraw/zinc/16/26/33/433162633.db2.gz MFUADCVLGYIHHJ-ZIAGYGMSSA-N 2 1 311.495 3.062 20 0 DGADMP CCO[C@H](C)c1nc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cs1 ZINC000420316732 433162640 /nfs/dbraw/zinc/16/26/40/433162640.db2.gz MFUADCVLGYIHHJ-ZIAGYGMSSA-N 2 1 311.495 3.062 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC000453408184 433164073 /nfs/dbraw/zinc/16/40/73/433164073.db2.gz SKCMVTNODXGCMW-GFCCVEGCSA-N 2 1 311.857 3.269 20 0 DGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425331175 433166801 /nfs/dbraw/zinc/16/68/01/433166801.db2.gz XBZIWQRRUKMAAM-CQSZACIVSA-N 2 1 304.463 3.057 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000420327860 433167154 /nfs/dbraw/zinc/16/71/54/433167154.db2.gz YZUWYRNFLDTZNR-RBUKOAKNSA-N 2 1 310.441 3.227 20 0 DGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420326756 433167831 /nfs/dbraw/zinc/16/78/31/433167831.db2.gz XPGWVJVYBOVPBU-ACRUOGEOSA-N 2 1 324.468 3.063 20 0 DGADMP c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000420321078 433168086 /nfs/dbraw/zinc/16/80/86/433168086.db2.gz CGFSTTPIYNLXES-SJORKVTESA-N 2 1 311.429 3.163 20 0 DGADMP c1csc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000420337327 433170507 /nfs/dbraw/zinc/17/05/07/433170507.db2.gz WTTIMUJRFCGMSO-KBPBESRZSA-N 2 1 317.458 3.225 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc2n1 ZINC000420333307 433171665 /nfs/dbraw/zinc/17/16/65/433171665.db2.gz SPCHHKAYAGJICM-SJORKVTESA-N 2 1 309.457 3.365 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336658954 433172325 /nfs/dbraw/zinc/17/23/25/433172325.db2.gz WVCBASQMCFJRRI-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP CCC[N@@H+](CCc1cccs1)Cc1cnc(N(C)C)n1C ZINC000425337046 433172580 /nfs/dbraw/zinc/17/25/80/433172580.db2.gz MJFXIHXQRMOLGI-UHFFFAOYSA-N 2 1 306.479 3.002 20 0 DGADMP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335613 433173230 /nfs/dbraw/zinc/17/32/30/433173230.db2.gz IYBLQNLYWJOKPZ-GUYCJALGSA-N 2 1 316.424 3.208 20 0 DGADMP C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335613 433173240 /nfs/dbraw/zinc/17/32/40/433173240.db2.gz IYBLQNLYWJOKPZ-GUYCJALGSA-N 2 1 316.424 3.208 20 0 DGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335217 433173572 /nfs/dbraw/zinc/17/35/72/433173572.db2.gz IEBPPVPASSSDIF-CXAGYDPISA-N 2 1 316.424 3.208 20 0 DGADMP C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335217 433173585 /nfs/dbraw/zinc/17/35/85/433173585.db2.gz IEBPPVPASSSDIF-CXAGYDPISA-N 2 1 316.424 3.208 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000420360858 433174922 /nfs/dbraw/zinc/17/49/22/433174922.db2.gz HNUQTDPBXDGEHO-MRXNPFEDSA-N 2 1 314.832 3.355 20 0 DGADMP CCC(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336706230 433179811 /nfs/dbraw/zinc/17/98/11/433179811.db2.gz IHSHOEBVACEPHL-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336706230 433179815 /nfs/dbraw/zinc/17/98/15/433179815.db2.gz IHSHOEBVACEPHL-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336706230 433179823 /nfs/dbraw/zinc/17/98/23/433179823.db2.gz IHSHOEBVACEPHL-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336706230 433179832 /nfs/dbraw/zinc/17/98/32/433179832.db2.gz IHSHOEBVACEPHL-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP CCSCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336699780 433181209 /nfs/dbraw/zinc/18/12/09/433181209.db2.gz DHODOPWZNNXGRM-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336699780 433181220 /nfs/dbraw/zinc/18/12/20/433181220.db2.gz DHODOPWZNNXGRM-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336699780 433181231 /nfs/dbraw/zinc/18/12/31/433181231.db2.gz DHODOPWZNNXGRM-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420367640 433181458 /nfs/dbraw/zinc/18/14/58/433181458.db2.gz HHGYMRRXUJVOMF-INIZCTEOSA-N 2 1 302.462 3.223 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000420361645 433182292 /nfs/dbraw/zinc/18/22/92/433182292.db2.gz MHHLEXSYGNBCPB-AWEZNQCLSA-N 2 1 318.383 3.437 20 0 DGADMP Clc1cccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420370668 433184212 /nfs/dbraw/zinc/18/42/12/433184212.db2.gz YWAKBBRKHLWILH-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1cccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420370668 433184223 /nfs/dbraw/zinc/18/42/23/433184223.db2.gz YWAKBBRKHLWILH-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420378963 433187096 /nfs/dbraw/zinc/18/70/96/433187096.db2.gz UUXJPVKEASUELL-IIDMSEBBSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420378963 433187106 /nfs/dbraw/zinc/18/71/06/433187106.db2.gz UUXJPVKEASUELL-IIDMSEBBSA-N 2 1 322.880 3.492 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000341658427 433193172 /nfs/dbraw/zinc/19/31/72/433193172.db2.gz MNQZSIYFDXKXFU-CQSZACIVSA-N 2 1 317.433 3.340 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000420400477 433197218 /nfs/dbraw/zinc/19/72/18/433197218.db2.gz INSKGPUONSZBKR-GXTWGEPZSA-N 2 1 320.383 3.367 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000420394375 433199162 /nfs/dbraw/zinc/19/91/62/433199162.db2.gz KIZBHMOKWCVOMM-WFASDCNBSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000420394375 433199169 /nfs/dbraw/zinc/19/91/69/433199169.db2.gz KIZBHMOKWCVOMM-WFASDCNBSA-N 2 1 313.367 3.064 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CC[C@H]1SC)c1ccccc1 ZINC000425363807 433202779 /nfs/dbraw/zinc/20/27/79/433202779.db2.gz WTFKUSOHKOODSX-OKZBNKHCSA-N 2 1 322.518 3.180 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CC[C@H]1SC)c1ccccc1 ZINC000425363807 433202785 /nfs/dbraw/zinc/20/27/85/433202785.db2.gz WTFKUSOHKOODSX-OKZBNKHCSA-N 2 1 322.518 3.180 20 0 DGADMP COCC1(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CCC1 ZINC000291054182 433216274 /nfs/dbraw/zinc/21/62/74/433216274.db2.gz CJMXFXKVWGEQMC-UHFFFAOYSA-N 2 1 304.434 3.050 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000361508488 433217465 /nfs/dbraw/zinc/21/74/65/433217465.db2.gz MPGXHLASYGTMJK-QGZVFWFLSA-N 2 1 305.466 3.010 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000298703749 433221885 /nfs/dbraw/zinc/22/18/85/433221885.db2.gz QJUXCAYSSCIJLB-UHFFFAOYSA-N 2 1 316.424 3.111 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000453593584 433222419 /nfs/dbraw/zinc/22/24/19/433222419.db2.gz GUDWGYAWHOFHRE-UHFFFAOYSA-N 2 1 304.463 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453602556 433229344 /nfs/dbraw/zinc/22/93/44/433229344.db2.gz WVAFJVVXMDBKIL-UHFFFAOYSA-N 2 1 312.461 3.349 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606103 433234877 /nfs/dbraw/zinc/23/48/77/433234877.db2.gz UKKQAOGDYNTCCU-RTBURBONSA-N 2 1 316.489 3.302 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606103 433234883 /nfs/dbraw/zinc/23/48/83/433234883.db2.gz UKKQAOGDYNTCCU-RTBURBONSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000447733166 433266218 /nfs/dbraw/zinc/26/62/18/433266218.db2.gz WWBODZPNWCBUEP-KBAYOESNSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000447733166 433266229 /nfs/dbraw/zinc/26/62/29/433266229.db2.gz WWBODZPNWCBUEP-KBAYOESNSA-N 2 1 322.880 3.332 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420915953 433314419 /nfs/dbraw/zinc/31/44/19/433314419.db2.gz NIGIWOMIKXMWBK-DLBZAZTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)[C@H]1C ZINC000420915956 433315035 /nfs/dbraw/zinc/31/50/35/433315035.db2.gz NIGIWOMIKXMWBK-SJORKVTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420921820 433319971 /nfs/dbraw/zinc/31/99/71/433319971.db2.gz DNBFXLKJKKPJQE-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420921820 433319977 /nfs/dbraw/zinc/31/99/77/433319977.db2.gz DNBFXLKJKKPJQE-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000420900958 433302175 /nfs/dbraw/zinc/30/21/75/433302175.db2.gz JCUKRNRKYQYFJZ-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+](CCC1CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425922782 433372734 /nfs/dbraw/zinc/37/27/34/433372734.db2.gz NGZYZZHDCQPDCN-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+](CCC1CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425922782 433372742 /nfs/dbraw/zinc/37/27/42/433372742.db2.gz NGZYZZHDCQPDCN-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CCC1CCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425922782 433372751 /nfs/dbraw/zinc/37/27/51/433372751.db2.gz NGZYZZHDCQPDCN-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CCC1CCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425922782 433372759 /nfs/dbraw/zinc/37/27/59/433372759.db2.gz NGZYZZHDCQPDCN-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281626312 433328882 /nfs/dbraw/zinc/32/88/82/433328882.db2.gz CRRIOGXPKLMILW-YJBOKZPZSA-N 2 1 308.441 3.225 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1C(C)(C)C ZINC000339070326 433339937 /nfs/dbraw/zinc/33/99/37/433339937.db2.gz MFKPODZMPCHMAY-MRXNPFEDSA-N 2 1 318.505 3.482 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000292008577 433429874 /nfs/dbraw/zinc/42/98/74/433429874.db2.gz CZIUGQXLOFRARO-MRXNPFEDSA-N 2 1 319.493 3.166 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174023 433431333 /nfs/dbraw/zinc/43/13/33/433431333.db2.gz XYJWLNLXRRLHSO-CABCVRRESA-N 2 1 308.466 3.042 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174023 433431339 /nfs/dbraw/zinc/43/13/39/433431339.db2.gz XYJWLNLXRRLHSO-CABCVRRESA-N 2 1 308.466 3.042 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000414076012 433379871 /nfs/dbraw/zinc/37/98/71/433379871.db2.gz PSNURMVNGVLUDT-DLBZAZTESA-N 2 1 319.493 3.265 20 0 DGADMP COC1(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000339136513 433384177 /nfs/dbraw/zinc/38/41/77/433384177.db2.gz VUYQAYOUFDORSR-UHFFFAOYSA-N 2 1 317.477 3.358 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1C[C@H]1C ZINC000414098191 433392363 /nfs/dbraw/zinc/39/23/63/433392363.db2.gz ISWSPUFBDGJVHO-JLZZUVOBSA-N 2 1 302.466 3.086 20 0 DGADMP C[C@H]1CC[C@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421032544 433395545 /nfs/dbraw/zinc/39/55/45/433395545.db2.gz WVWMJGWKOGPXOK-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425999062 433398903 /nfs/dbraw/zinc/39/89/03/433398903.db2.gz MUCUDZATGCNQRE-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425999062 433398913 /nfs/dbraw/zinc/39/89/13/433398913.db2.gz MUCUDZATGCNQRE-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425999062 433398917 /nfs/dbraw/zinc/39/89/17/433398917.db2.gz MUCUDZATGCNQRE-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425999062 433398926 /nfs/dbraw/zinc/39/89/26/433398926.db2.gz MUCUDZATGCNQRE-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291971187 433413583 /nfs/dbraw/zinc/41/35/83/433413583.db2.gz VOUPBEDBXQWUNU-HXUWFJFHSA-N 2 1 318.505 3.036 20 0 DGADMP C[N@@H+](C/C=C\c1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426163085 433433103 /nfs/dbraw/zinc/43/31/03/433433103.db2.gz URKOVZIRSAAVRN-IHWYPQMZSA-N 2 1 322.456 3.338 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000414169762 433438479 /nfs/dbraw/zinc/43/84/79/433438479.db2.gz BMEMBYGCTQMGHD-CRAIPNDOSA-N 2 1 318.461 3.246 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342082412 433457409 /nfs/dbraw/zinc/45/74/09/433457409.db2.gz IYZAHEAXSMXTFM-BSWAZPDLSA-N 2 1 311.429 3.462 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414200274 433458177 /nfs/dbraw/zinc/45/81/77/433458177.db2.gz XRLLXUXKQMOYEV-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342089858 433461598 /nfs/dbraw/zinc/46/15/98/433461598.db2.gz BQEZLAKZKMCGFJ-BBWFWOEESA-N 2 1 311.429 3.209 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414206835 433462774 /nfs/dbraw/zinc/46/27/74/433462774.db2.gz QFQAMVJPAQWQSS-SCTDSRPQSA-N 2 1 304.478 3.159 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414206835 433462784 /nfs/dbraw/zinc/46/27/84/433462784.db2.gz QFQAMVJPAQWQSS-SCTDSRPQSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261949461 290223351 /nfs/dbraw/zinc/22/33/51/290223351.db2.gz WCTUGTIBJHMWAS-APWZRJJASA-N 2 1 315.505 3.025 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252791117 290238243 /nfs/dbraw/zinc/23/82/43/290238243.db2.gz ZMBTUIIIWDTWDY-LOWVWBTDSA-N 2 1 302.340 3.315 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(C(F)F)CC2)cn1 ZINC000282053364 433477659 /nfs/dbraw/zinc/47/76/59/433477659.db2.gz VPXJYWDHUIIFNX-UHFFFAOYSA-N 2 1 320.387 3.489 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000342510669 290386592 /nfs/dbraw/zinc/38/65/92/290386592.db2.gz VGGGGRPASHWLGA-DOTOQJQBSA-N 2 1 304.482 3.115 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3sccc3C)CC2)CC1 ZINC000421375115 433519466 /nfs/dbraw/zinc/51/94/66/433519466.db2.gz OQDLZSQJFZXXIL-UHFFFAOYSA-N 2 1 321.534 3.049 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@H]21 ZINC000355203052 433533411 /nfs/dbraw/zinc/53/34/11/433533411.db2.gz WRDKSGSWUDFHJZ-SJLPKXTDSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@H]21 ZINC000355203052 433533420 /nfs/dbraw/zinc/53/34/20/433533420.db2.gz WRDKSGSWUDFHJZ-SJLPKXTDSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@H]21 ZINC000355203052 433533431 /nfs/dbraw/zinc/53/34/31/433533431.db2.gz WRDKSGSWUDFHJZ-SJLPKXTDSA-N 2 1 314.473 3.316 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414260845 433494095 /nfs/dbraw/zinc/49/40/95/433494095.db2.gz NDWRQJMWYXHGHZ-HPUSYDDDSA-N 2 1 316.489 3.300 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(c3ccnc4cc(Cl)ccc43)C2)C1 ZINC000292184643 433494742 /nfs/dbraw/zinc/49/47/42/433494742.db2.gz FSFZNSWTRJPSGX-QGZVFWFLSA-N 2 1 301.821 3.420 20 0 DGADMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000292184643 433494751 /nfs/dbraw/zinc/49/47/51/433494751.db2.gz FSFZNSWTRJPSGX-QGZVFWFLSA-N 2 1 301.821 3.420 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000292184643 433494759 /nfs/dbraw/zinc/49/47/59/433494759.db2.gz FSFZNSWTRJPSGX-QGZVFWFLSA-N 2 1 301.821 3.420 20 0 DGADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282127154 433504344 /nfs/dbraw/zinc/50/43/44/433504344.db2.gz BDNQFBLOUWTLNK-SFHVURJKSA-N 2 1 303.494 3.143 20 0 DGADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(C)c1OC ZINC000342161826 433509130 /nfs/dbraw/zinc/50/91/30/433509130.db2.gz LYZPMMJAQQVZFB-UHFFFAOYSA-N 2 1 317.433 3.087 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000414280151 433509376 /nfs/dbraw/zinc/50/93/76/433509376.db2.gz KPGZHWMDDCWCKA-YQXATGRUSA-N 2 1 316.489 3.300 20 0 DGADMP CC[N@@H+](CCCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000339411598 433562857 /nfs/dbraw/zinc/56/28/57/433562857.db2.gz YKADMSTVEKYODW-GOSISDBHSA-N 2 1 302.462 3.018 20 0 DGADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000414358378 433567462 /nfs/dbraw/zinc/56/74/62/433567462.db2.gz BZFGCJBYINLRFQ-IAGOWNOFSA-N 2 1 304.482 3.029 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)c1 ZINC000282326999 433568454 /nfs/dbraw/zinc/56/84/54/433568454.db2.gz UOPGJYUGIGTFIO-INIZCTEOSA-N 2 1 314.477 3.421 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456289630 433573730 /nfs/dbraw/zinc/57/37/30/433573730.db2.gz XMRDMXLUCRWPBA-MSOLQXFVSA-N 2 1 315.461 3.048 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Br)cc3)C2)C1 ZINC000339433020 433578878 /nfs/dbraw/zinc/57/88/78/433578878.db2.gz HKHMLLURTSEZJX-MRXNPFEDSA-N 2 1 323.278 3.367 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430644 433581907 /nfs/dbraw/zinc/58/19/07/433581907.db2.gz HSMCHGCUAJKDEY-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430644 433581917 /nfs/dbraw/zinc/58/19/17/433581917.db2.gz HSMCHGCUAJKDEY-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430644 433581927 /nfs/dbraw/zinc/58/19/27/433581927.db2.gz HSMCHGCUAJKDEY-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430644 433581934 /nfs/dbraw/zinc/58/19/34/433581934.db2.gz HSMCHGCUAJKDEY-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437960 433584366 /nfs/dbraw/zinc/58/43/66/433584366.db2.gz IJXUYSDHRMQXRM-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437960 433584374 /nfs/dbraw/zinc/58/43/74/433584374.db2.gz IJXUYSDHRMQXRM-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437960 433584382 /nfs/dbraw/zinc/58/43/82/433584382.db2.gz IJXUYSDHRMQXRM-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339436820 433585888 /nfs/dbraw/zinc/58/58/88/433585888.db2.gz HVEKKEFVWJNMSZ-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436820 433585895 /nfs/dbraw/zinc/58/58/95/433585895.db2.gz HVEKKEFVWJNMSZ-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436820 433585904 /nfs/dbraw/zinc/58/59/04/433585904.db2.gz HVEKKEFVWJNMSZ-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574783 433587685 /nfs/dbraw/zinc/58/76/85/433587685.db2.gz PQORLPJKYJNCDR-ZWKOTPCHSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574783 433587696 /nfs/dbraw/zinc/58/76/96/433587696.db2.gz PQORLPJKYJNCDR-ZWKOTPCHSA-N 2 1 304.478 3.209 20 0 DGADMP COc1cc(C)[nH+]c(CN(C)C(C)(C)C[NH+]2CCCCCC2)c1 ZINC000426771415 433591008 /nfs/dbraw/zinc/59/10/08/433591008.db2.gz BXOCXZGOLCFLRR-UHFFFAOYSA-N 2 1 319.493 3.485 20 0 DGADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1Br ZINC000342299811 433599310 /nfs/dbraw/zinc/59/93/10/433599310.db2.gz XUESDSMXAKLNJG-LBPRGKRZSA-N 2 1 312.255 3.155 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]cc1Br ZINC000342299811 433599320 /nfs/dbraw/zinc/59/93/20/433599320.db2.gz XUESDSMXAKLNJG-LBPRGKRZSA-N 2 1 312.255 3.155 20 0 DGADMP Cc1n[nH]cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282422964 433600247 /nfs/dbraw/zinc/60/02/47/433600247.db2.gz BSYIKXQPFWJLHI-GOSISDBHSA-N 2 1 312.461 3.108 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCCN(CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609733 433612172 /nfs/dbraw/zinc/61/21/72/433612172.db2.gz TUGABBIUBKZKJI-WOJBJXKFSA-N 3 1 321.553 3.305 20 0 DGADMP C[C@H]1CCC[C@]1(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339564883 433656338 /nfs/dbraw/zinc/65/63/38/433656338.db2.gz UUYBGSHHVWXGBD-PXNSSMCTSA-N 2 1 318.505 3.285 20 0 DGADMP CCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000293221800 433661224 /nfs/dbraw/zinc/66/12/24/433661224.db2.gz XZYGXVZFVHQHAE-YOFSQIOKSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000351731874 433690158 /nfs/dbraw/zinc/69/01/58/433690158.db2.gz YBCMCRGMLFCLNV-IGOJGBNBSA-N 2 1 324.472 3.031 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000351731874 433690166 /nfs/dbraw/zinc/69/01/66/433690166.db2.gz YBCMCRGMLFCLNV-IGOJGBNBSA-N 2 1 324.472 3.031 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000367051372 293016898 /nfs/dbraw/zinc/01/68/98/293016898.db2.gz YNCSOMVZMKEIJO-SFHVURJKSA-N 2 1 302.462 3.187 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000367067699 293019876 /nfs/dbraw/zinc/01/98/76/293019876.db2.gz SSWZUBCACACAEJ-LMMKCTJWSA-N 2 1 304.478 3.443 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000367067699 293019880 /nfs/dbraw/zinc/01/98/80/293019880.db2.gz SSWZUBCACACAEJ-LMMKCTJWSA-N 2 1 304.478 3.443 20 0 DGADMP C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1n1ccnc1 ZINC000367215123 293039403 /nfs/dbraw/zinc/03/94/03/293039403.db2.gz DEUBEXOTDPSIAF-SWLSCSKDSA-N 2 1 314.364 3.247 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356783317 433697984 /nfs/dbraw/zinc/69/79/84/433697984.db2.gz LNMWJHOCUHLFTA-PIKOESSRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356783317 433697992 /nfs/dbraw/zinc/69/79/92/433697992.db2.gz LNMWJHOCUHLFTA-PIKOESSRSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232983 433695314 /nfs/dbraw/zinc/69/53/14/433695314.db2.gz UHJJJUYGAHWIIU-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232983 433695324 /nfs/dbraw/zinc/69/53/24/433695324.db2.gz UHJJJUYGAHWIIU-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232983 433695331 /nfs/dbraw/zinc/69/53/31/433695331.db2.gz UHJJJUYGAHWIIU-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232983 433695336 /nfs/dbraw/zinc/69/53/36/433695336.db2.gz UHJJJUYGAHWIIU-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP C(CC1CCOCC1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000368495725 293127588 /nfs/dbraw/zinc/12/75/88/293127588.db2.gz WVJHZGJYBYZNMW-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000368495725 293127591 /nfs/dbraw/zinc/12/75/91/293127591.db2.gz WVJHZGJYBYZNMW-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000368495725 293127594 /nfs/dbraw/zinc/12/75/94/293127594.db2.gz WVJHZGJYBYZNMW-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP CC(C)c1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)nc(C(C)C)n1 ZINC000372348610 293237679 /nfs/dbraw/zinc/23/76/79/293237679.db2.gz XQUOJSXELXTLJH-CQSZACIVSA-N 2 1 313.449 3.451 20 0 DGADMP Cc1ccnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000339660105 433710943 /nfs/dbraw/zinc/71/09/43/433710943.db2.gz JQGXWRMYABLJNE-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP Cc1ccnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000339660105 433710951 /nfs/dbraw/zinc/71/09/51/433710951.db2.gz JQGXWRMYABLJNE-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP COCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374053034 293347664 /nfs/dbraw/zinc/34/76/64/293347664.db2.gz HFIOCRMSDVATFE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374053034 293347666 /nfs/dbraw/zinc/34/76/66/293347666.db2.gz HFIOCRMSDVATFE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374053034 293347669 /nfs/dbraw/zinc/34/76/69/293347669.db2.gz HFIOCRMSDVATFE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374375567 293391384 /nfs/dbraw/zinc/39/13/84/293391384.db2.gz SDLJJENAYPHFMZ-MSOLQXFVSA-N 2 1 308.510 3.293 20 0 DGADMP CC1CC[NH+](CCC[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449059647 433714781 /nfs/dbraw/zinc/71/47/81/433714781.db2.gz CKRJLMQBLYOYMI-UHFFFAOYSA-N 2 1 304.482 3.210 20 0 DGADMP Cc1ccnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000339664328 433715730 /nfs/dbraw/zinc/71/57/30/433715730.db2.gz ZNSWXATYQJIORC-KRWDZBQOSA-N 2 1 316.493 3.262 20 0 DGADMP Cc1ccnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000339664328 433715740 /nfs/dbraw/zinc/71/57/40/433715740.db2.gz ZNSWXATYQJIORC-KRWDZBQOSA-N 2 1 316.493 3.262 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](C)CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000449228310 433732392 /nfs/dbraw/zinc/73/23/92/433732392.db2.gz XYTBCPVKYANUGC-HBUWYVDXSA-N 2 1 316.493 3.477 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC000356881256 433744607 /nfs/dbraw/zinc/74/46/07/433744607.db2.gz UUZQBEMEIRUTQC-AOIWGVFYSA-N 2 1 304.478 3.302 20 0 DGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000421822109 433745154 /nfs/dbraw/zinc/74/51/54/433745154.db2.gz VVHNCFHGEXWHMT-QWHCGFSZSA-N 2 1 308.853 3.484 20 0 DGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000421822109 433745161 /nfs/dbraw/zinc/74/51/61/433745161.db2.gz VVHNCFHGEXWHMT-QWHCGFSZSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c(F)c1 ZINC000421821759 433745411 /nfs/dbraw/zinc/74/54/11/433745411.db2.gz TXMZLJKUOJZPLB-ORAYPTAESA-N 2 1 318.436 3.359 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000421823195 433747379 /nfs/dbraw/zinc/74/73/79/433747379.db2.gz YUNYTUVCDRYDGZ-CHWSQXEVSA-N 2 1 310.844 3.484 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293486131 433755901 /nfs/dbraw/zinc/75/59/01/433755901.db2.gz RNBICRRBSQJHGG-HNAYVOBHSA-N 2 1 320.452 3.367 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293486126 433756277 /nfs/dbraw/zinc/75/62/77/433756277.db2.gz RNBICRRBSQJHGG-BEFAXECRSA-N 2 1 320.452 3.367 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000351865462 433764654 /nfs/dbraw/zinc/76/46/54/433764654.db2.gz NHKWFTQFKORWHJ-FXAWDEMLSA-N 2 1 324.468 3.462 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000449086544 433723470 /nfs/dbraw/zinc/72/34/70/433723470.db2.gz CCELISXNUAZQLW-VZDIDWBNSA-N 2 1 306.494 3.473 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(Cl)c1 ZINC000356930000 433774331 /nfs/dbraw/zinc/77/43/31/433774331.db2.gz WMBOAXQPSLNFHZ-GFCCVEGCSA-N 2 1 307.825 3.279 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686912 433791494 /nfs/dbraw/zinc/79/14/94/433791494.db2.gz BUCYOXYKPIHXHH-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686912 433791504 /nfs/dbraw/zinc/79/15/04/433791504.db2.gz BUCYOXYKPIHXHH-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414696062 433794727 /nfs/dbraw/zinc/79/47/27/433794727.db2.gz AVLXRWIPWQXJJI-JKSUJKDBSA-N 2 1 302.462 3.222 20 0 DGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000430731499 433795670 /nfs/dbraw/zinc/79/56/70/433795670.db2.gz MHOWCODSQJNMEY-BHIYHBOVSA-N 2 1 309.542 3.064 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1SC ZINC000414693396 433796049 /nfs/dbraw/zinc/79/60/49/433796049.db2.gz MRYVXMUEHIBYRQ-DZGCQCFKSA-N 2 1 308.491 3.237 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000414703835 433799677 /nfs/dbraw/zinc/79/96/77/433799677.db2.gz YFGDWMQFHTWFHT-OLZOCXBDSA-N 2 1 323.278 3.195 20 0 DGADMP C[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC[NH2+]1 ZINC000414705391 433800609 /nfs/dbraw/zinc/80/06/09/433800609.db2.gz LNVSDVCXCJTTBE-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000414703838 433800928 /nfs/dbraw/zinc/80/09/28/433800928.db2.gz YFGDWMQFHTWFHT-STQMWFEESA-N 2 1 323.278 3.195 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293639268 433810465 /nfs/dbraw/zinc/81/04/65/433810465.db2.gz MALMJSFGFSAOBV-SFHVURJKSA-N 2 1 300.446 3.214 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000414742573 433813156 /nfs/dbraw/zinc/81/31/56/433813156.db2.gz UNGMNPLWXJKAPD-LLVKDONJSA-N 2 1 317.296 3.380 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000377412693 433875515 /nfs/dbraw/zinc/87/55/15/433875515.db2.gz NMHTVNLNDMRCNQ-MHJFOBGBSA-N 2 1 318.505 3.426 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC2CCCC2)c1 ZINC000414768157 433827210 /nfs/dbraw/zinc/82/72/10/433827210.db2.gz LGXXPPOAAQDARY-HDICACEKSA-N 2 1 314.473 3.439 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414779931 433828409 /nfs/dbraw/zinc/82/84/09/433828409.db2.gz KXVWCOQLQXUVMS-GJZGRUSLSA-N 2 1 310.388 3.110 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777382 433829016 /nfs/dbraw/zinc/82/90/16/433829016.db2.gz IFQHPOSURWBDCJ-IBGZPJMESA-N 2 1 316.489 3.040 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414775706 433829848 /nfs/dbraw/zinc/82/98/48/433829848.db2.gz GMPZMMYMENYGSH-ZWKOTPCHSA-N 2 1 324.472 3.207 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778967 433830029 /nfs/dbraw/zinc/83/00/29/433830029.db2.gz JUUQNIOCSYQFKN-QZTJIDSGSA-N 2 1 324.472 3.002 20 0 DGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414783202 433833937 /nfs/dbraw/zinc/83/39/37/433833937.db2.gz POBMBFMLESDVND-ZIAGYGMSSA-N 2 1 307.507 3.262 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788483 433835272 /nfs/dbraw/zinc/83/52/72/433835272.db2.gz WOGWOYLVIGQDDZ-IRXDYDNUSA-N 2 1 318.509 3.076 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789949 433839373 /nfs/dbraw/zinc/83/93/73/433839373.db2.gz ZCROCNSPAMAZBC-UONOGXRCSA-N 2 1 308.853 3.170 20 0 DGADMP Cc1ccc(COc2ccc(C[NH2+][C@H](C[NH3+])C3CC3)cc2)cc1 ZINC000414796247 433843256 /nfs/dbraw/zinc/84/32/56/433843256.db2.gz HERRHQUSIQAHBK-HXUWFJFHSA-N 2 1 310.441 3.401 20 0 DGADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414801402 433843355 /nfs/dbraw/zinc/84/33/55/433843355.db2.gz GXOFHGJAVWVHDV-XHDPSFHLSA-N 2 1 300.368 3.353 20 0 DGADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414801397 433844583 /nfs/dbraw/zinc/84/45/83/433844583.db2.gz GXOFHGJAVWVHDV-NHYWBVRUSA-N 2 1 300.368 3.353 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000414808375 433849584 /nfs/dbraw/zinc/84/95/84/433849584.db2.gz SIHQEFCFBVYDBT-UHFFFAOYSA-N 2 1 300.450 3.096 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293738410 433850120 /nfs/dbraw/zinc/85/01/20/433850120.db2.gz NISGBENMGKFWOY-ONGXEEELSA-N 2 1 317.296 3.428 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414810868 433852955 /nfs/dbraw/zinc/85/29/55/433852955.db2.gz OWWQBYZPZAEVLO-CEXWTWQISA-N 2 1 315.505 3.004 20 0 DGADMP COc1ccc(Oc2ccc(C[NH2+][C@H](C[NH3+])C3CC3)cc2)cc1 ZINC000414814016 433855291 /nfs/dbraw/zinc/85/52/91/433855291.db2.gz RGVNLNWUMAKRGX-LJQANCHMSA-N 2 1 312.413 3.314 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1)CC1CC1 ZINC000357082754 433857145 /nfs/dbraw/zinc/85/71/45/433857145.db2.gz JKLOIOSHWYBUTE-AWEZNQCLSA-N 2 1 320.481 3.273 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1)CC1CC1 ZINC000357082754 433857154 /nfs/dbraw/zinc/85/71/54/433857154.db2.gz JKLOIOSHWYBUTE-AWEZNQCLSA-N 2 1 320.481 3.273 20 0 DGADMP CCN1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013898 433858287 /nfs/dbraw/zinc/85/82/87/433858287.db2.gz KRQYQVNFIUKSMN-RDJZCZTQSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@@H+]1CC[C@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013898 433858298 /nfs/dbraw/zinc/85/82/98/433858298.db2.gz KRQYQVNFIUKSMN-RDJZCZTQSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013898 433858311 /nfs/dbraw/zinc/85/83/11/433858311.db2.gz KRQYQVNFIUKSMN-RDJZCZTQSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)n(C)n2)CC1)CC1CC1 ZINC000357085665 433858818 /nfs/dbraw/zinc/85/88/18/433858818.db2.gz NGGDFJYUDNVRGX-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)c(OC)s1 ZINC000414815585 433859542 /nfs/dbraw/zinc/85/95/42/433859542.db2.gz XQTAEUHEAXTYDB-UHFFFAOYSA-N 2 1 321.284 3.126 20 0 DGADMP CC[N@@H+](CCOCC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000357092345 433860280 /nfs/dbraw/zinc/86/02/80/433860280.db2.gz URHGPEOANDJNKR-IBGZPJMESA-N 2 1 316.420 3.212 20 0 DGADMP Cc1csc(CN2CCC[C@H]2CNc2cccc(C)n2)n1 ZINC000362806028 433866668 /nfs/dbraw/zinc/86/66/68/433866668.db2.gz MVWKBDRLFMHLRU-AWEZNQCLSA-N 2 1 302.447 3.231 20 0 DGADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414832893 433869260 /nfs/dbraw/zinc/86/92/60/433869260.db2.gz FDZNRLWPXIVNMI-QXAKKESOSA-N 2 1 303.494 3.003 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414836666 433871447 /nfs/dbraw/zinc/87/14/47/433871447.db2.gz ISTNLAGKQWJUCK-ZETCQYMHSA-N 2 1 311.676 3.109 20 0 DGADMP Clc1cccc(N2CCCC2)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414838667 433871623 /nfs/dbraw/zinc/87/16/23/433871623.db2.gz XCRACBZJIBMGJM-CQSZACIVSA-N 2 1 307.869 3.029 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436298213 433935145 /nfs/dbraw/zinc/93/51/45/433935145.db2.gz YEOIBDQSEHUIBL-HTWSVDAQSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCC[NH2+]C1 ZINC000414898456 433905276 /nfs/dbraw/zinc/90/52/76/433905276.db2.gz GBLIHLPRUMDDAG-OAHLLOKOSA-N 2 1 307.488 3.351 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362930116 433916148 /nfs/dbraw/zinc/91/61/48/433916148.db2.gz KDKLWNXGTQPMBW-LJQANCHMSA-N 2 1 314.473 3.066 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1O ZINC000414922283 433917480 /nfs/dbraw/zinc/91/74/80/433917480.db2.gz CMKRWJNQZYEHOR-KSSFIOAISA-N 2 1 320.477 3.090 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2c1 ZINC000422564075 433922832 /nfs/dbraw/zinc/92/28/32/433922832.db2.gz VBFFIDMYHMKFMR-GUTXKFCHSA-N 2 1 302.418 3.247 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[NH2+]1 ZINC000414942013 433924336 /nfs/dbraw/zinc/92/43/36/433924336.db2.gz DJILQDJQSVPCRU-APWZRJJASA-N 2 1 310.441 3.496 20 0 DGADMP Fc1cccc2[nH]c(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc21 ZINC000436274032 433926380 /nfs/dbraw/zinc/92/63/80/433926380.db2.gz LOOHQXXBAWDSNA-UHFFFAOYSA-N 2 1 301.409 3.414 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C3(C)CC[NH2+]CC3)s2)cc1 ZINC000414944602 433932683 /nfs/dbraw/zinc/93/26/83/433932683.db2.gz QGCVFSKZWDYWAR-UHFFFAOYSA-N 2 1 301.459 3.350 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854080 433881775 /nfs/dbraw/zinc/88/17/75/433881775.db2.gz UIGJFAXZSDWCEN-CXAGYDPISA-N 2 1 321.440 3.040 20 0 DGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc(Cl)c1OC ZINC000414849517 433882620 /nfs/dbraw/zinc/88/26/20/433882620.db2.gz XRNMXSYATBYVEG-UHFFFAOYSA-N 2 1 312.841 3.108 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)s2)o1 ZINC000414856545 433889163 /nfs/dbraw/zinc/88/91/63/433889163.db2.gz OHYSJOMSSDGYOB-QWHCGFSZSA-N 2 1 305.447 3.189 20 0 DGADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340162133 433948123 /nfs/dbraw/zinc/94/81/23/433948123.db2.gz DULBOJIMXVPUKH-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP COc1ccc([C@H]([NH2+]CC2CCSCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422726649 433948792 /nfs/dbraw/zinc/94/87/92/433948792.db2.gz FTZYLXLOBIPNCM-MSOLQXFVSA-N 2 1 320.502 3.221 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340172527 433952241 /nfs/dbraw/zinc/95/22/41/433952241.db2.gz BFNLMYSIARBUAJ-MOPGFXCFSA-N 2 1 312.461 3.076 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340172527 433952251 /nfs/dbraw/zinc/95/22/51/433952251.db2.gz BFNLMYSIARBUAJ-MOPGFXCFSA-N 2 1 312.461 3.076 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340172825 433953078 /nfs/dbraw/zinc/95/30/78/433953078.db2.gz NJSNNCCQZCHKAV-RBUKOAKNSA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340172825 433953089 /nfs/dbraw/zinc/95/30/89/433953089.db2.gz NJSNNCCQZCHKAV-RBUKOAKNSA-N 2 1 324.472 3.073 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)c2ccccc21 ZINC000422728097 433954614 /nfs/dbraw/zinc/95/46/14/433954614.db2.gz FBOFTQKOKXXFLS-VQTJNVASSA-N 2 1 318.424 3.166 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000422730979 433956366 /nfs/dbraw/zinc/95/63/66/433956366.db2.gz GAFLBBUBOPMQHF-VAMGGRTRSA-N 2 1 315.505 3.177 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422736217 433959366 /nfs/dbraw/zinc/95/93/66/433959366.db2.gz FYNMQMXXBXEVMO-NCXUSEDFSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422736217 433959371 /nfs/dbraw/zinc/95/93/71/433959371.db2.gz FYNMQMXXBXEVMO-NCXUSEDFSA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422736217 433959376 /nfs/dbraw/zinc/95/93/76/433959376.db2.gz FYNMQMXXBXEVMO-NCXUSEDFSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422738577 433961932 /nfs/dbraw/zinc/96/19/32/433961932.db2.gz JWARRKOFBZBLEN-LULLPPNCSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422738577 433961941 /nfs/dbraw/zinc/96/19/41/433961941.db2.gz JWARRKOFBZBLEN-LULLPPNCSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340183323 433964511 /nfs/dbraw/zinc/96/45/11/433964511.db2.gz BDEWRXDRRAAXBO-YZGWKJHDSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340183323 433964519 /nfs/dbraw/zinc/96/45/19/433964519.db2.gz BDEWRXDRRAAXBO-YZGWKJHDSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340183323 433964524 /nfs/dbraw/zinc/96/45/24/433964524.db2.gz BDEWRXDRRAAXBO-YZGWKJHDSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCC2CC2)C[C@H]1c1ccccc1 ZINC000340183898 433964699 /nfs/dbraw/zinc/96/46/99/433964699.db2.gz WPUJCCMFMBHYBD-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC2CC2)C[C@H]1c1ccccc1 ZINC000340183898 433964700 /nfs/dbraw/zinc/96/47/00/433964700.db2.gz WPUJCCMFMBHYBD-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000422740651 433965334 /nfs/dbraw/zinc/96/53/34/433965334.db2.gz NYGFJJHNRPPDQQ-YQVWRLOYSA-N 2 1 303.494 3.175 20 0 DGADMP COc1ccccc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377702392 433966196 /nfs/dbraw/zinc/96/61/96/433966196.db2.gz UUVQTDVHEUNKBM-UHFFFAOYSA-N 2 1 311.429 3.191 20 0 DGADMP CC[C@@H]1C[NH+](C/C=C\C[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000340195677 433979730 /nfs/dbraw/zinc/97/97/30/433979730.db2.gz CIJXUUVGQMCWFY-ILNYKDOHSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422762572 433981732 /nfs/dbraw/zinc/98/17/32/433981732.db2.gz OAAIUTLXGIOUDH-FHLIZLRMSA-N 2 1 301.478 3.231 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422764019 433984417 /nfs/dbraw/zinc/98/44/17/433984417.db2.gz PGLRBQSSSMONQD-YGRLFVJLSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[NH2+]1 ZINC000414961383 433940104 /nfs/dbraw/zinc/94/01/04/433940104.db2.gz ZAISJDSXBUAATI-MWLCHTKSSA-N 2 1 317.658 3.333 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(C2CC2)c1 ZINC000340236678 434008115 /nfs/dbraw/zinc/00/81/15/434008115.db2.gz LMTYYLCBUXVQFN-UZLBHIALSA-N 2 1 316.489 3.307 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340246281 434009351 /nfs/dbraw/zinc/00/93/51/434009351.db2.gz UZTYXYIQJXVXQM-YJBOKZPZSA-N 2 1 302.462 3.369 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Cl)cc2)s1 ZINC000352257374 434009539 /nfs/dbraw/zinc/00/95/39/434009539.db2.gz SWPZXQFDHAQFBN-UHFFFAOYSA-N 2 1 309.866 3.190 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340246280 434010288 /nfs/dbraw/zinc/01/02/88/434010288.db2.gz UZTYXYIQJXVXQM-QAPCUYQASA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340246279 434010394 /nfs/dbraw/zinc/01/03/94/434010394.db2.gz UZTYXYIQJXVXQM-MAUKXSAKSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)C[C@H]1c1ccccc1 ZINC000340254651 434018108 /nfs/dbraw/zinc/01/81/08/434018108.db2.gz CLACUFFKIBPFSX-ROUUACIJSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)C[C@H]1c1ccccc1 ZINC000340254651 434018122 /nfs/dbraw/zinc/01/81/22/434018122.db2.gz CLACUFFKIBPFSX-ROUUACIJSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000304732756 434019756 /nfs/dbraw/zinc/01/97/56/434019756.db2.gz RMGGHQHQNXUXFH-LJQANCHMSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+](C)C1CCCCC1 ZINC000422812050 434020284 /nfs/dbraw/zinc/02/02/84/434020284.db2.gz XAMFJRZGUFQAGO-XLIONFOSSA-N 2 1 317.521 3.189 20 0 DGADMP Cc1cccc(Oc2cc(C[NH2+]C3CC[NH2+]CC3)ccn2)c1C ZINC000422811998 434021824 /nfs/dbraw/zinc/02/18/24/434021824.db2.gz VSJLGFKICOWMSV-UHFFFAOYSA-N 2 1 311.429 3.332 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422806652 434022139 /nfs/dbraw/zinc/02/21/39/434022139.db2.gz IRWJZAOQTQJOHP-QMTHXVAHSA-N 2 1 315.230 3.066 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811907 434022761 /nfs/dbraw/zinc/02/27/61/434022761.db2.gz VGJLGLBFFYPSNP-RBUKOAKNSA-N 3 1 301.478 3.032 20 0 DGADMP C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422823165 434029098 /nfs/dbraw/zinc/02/90/98/434029098.db2.gz LIURXWHGKKCEBX-SCTDSRPQSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1c[nH+]ccc1N ZINC000422829864 434033695 /nfs/dbraw/zinc/03/36/95/434033695.db2.gz CCCCHOHQFXVQEM-OCCSQVGLSA-N 2 1 316.836 3.077 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422829771 434033846 /nfs/dbraw/zinc/03/38/46/434033846.db2.gz BYTHRUMCBWVPLB-MOPGFXCFSA-N 2 1 308.425 3.258 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CC(C)C ZINC000422831394 434036896 /nfs/dbraw/zinc/03/68/96/434036896.db2.gz SOLWLDWIMMEKJA-YJBOKZPZSA-N 2 1 320.525 3.256 20 0 DGADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836621 434040531 /nfs/dbraw/zinc/04/05/31/434040531.db2.gz KOFXDMZOWLYCDJ-BWPNAZKDSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1Cc1ccccc1 ZINC000422836621 434040540 /nfs/dbraw/zinc/04/05/40/434040540.db2.gz KOFXDMZOWLYCDJ-BWPNAZKDSA-N 2 1 315.505 3.017 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839040 434040660 /nfs/dbraw/zinc/04/06/60/434040660.db2.gz PONUWTKWCVIQOX-NWDGAFQWSA-N 2 1 323.651 3.495 20 0 DGADMP COc1ccc2cc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)ccc2c1 ZINC000401708199 293868827 /nfs/dbraw/zinc/86/88/27/293868827.db2.gz SXUBCOCJLVLJCJ-CQSZACIVSA-N 2 1 309.413 3.475 20 0 DGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000401796392 293868914 /nfs/dbraw/zinc/86/89/14/293868914.db2.gz JQMDUQMNCOFQET-OAHLLOKOSA-N 2 1 322.250 3.466 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837795 434043388 /nfs/dbraw/zinc/04/33/88/434043388.db2.gz MVBSMSLTSFIIPS-LMCOJAPRSA-N 2 1 315.505 3.289 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839039 434043534 /nfs/dbraw/zinc/04/35/34/434043534.db2.gz PONUWTKWCVIQOX-NEPJUHHUSA-N 2 1 323.651 3.495 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840448 434045293 /nfs/dbraw/zinc/04/52/93/434045293.db2.gz SYGXCIPQWXEEDU-RYRKJORJSA-N 2 1 321.534 3.080 20 0 DGADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000422787775 433997160 /nfs/dbraw/zinc/99/71/60/433997160.db2.gz QIZYAUOQKGOZEX-MEDUHNTESA-N 2 1 305.809 3.186 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235479 434001011 /nfs/dbraw/zinc/00/10/11/434001011.db2.gz GDXUAXAPYUMENN-IEBWSBKVSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235479 434001018 /nfs/dbraw/zinc/00/10/18/434001018.db2.gz GDXUAXAPYUMENN-IEBWSBKVSA-N 2 1 313.445 3.259 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340235572 434001217 /nfs/dbraw/zinc/00/12/17/434001217.db2.gz HJWBGRJOIZTMOH-AQNXPRMDSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340235572 434001228 /nfs/dbraw/zinc/00/12/28/434001228.db2.gz HJWBGRJOIZTMOH-AQNXPRMDSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340235572 434001237 /nfs/dbraw/zinc/00/12/37/434001237.db2.gz HJWBGRJOIZTMOH-AQNXPRMDSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1ccsc1 ZINC000422863328 434061493 /nfs/dbraw/zinc/06/14/93/434061493.db2.gz OOYUYJLEFWJRRE-DJIMGWMZSA-N 2 1 309.523 3.109 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422869749 434067161 /nfs/dbraw/zinc/06/71/61/434067161.db2.gz XWTYLLAUCIPSFH-YESZJQIVSA-N 3 1 303.494 3.276 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874472 434070374 /nfs/dbraw/zinc/07/03/74/434070374.db2.gz DASOZPGIIAUGDR-FUHIMQAGSA-N 2 1 315.505 3.291 20 0 DGADMP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309973103 434100226 /nfs/dbraw/zinc/10/02/26/434100226.db2.gz OVBWNASZMWOFQA-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422877374 434072186 /nfs/dbraw/zinc/07/21/86/434072186.db2.gz HWWHOUWOYNFIHW-ACZWYYKOSA-N 2 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422877374 434072195 /nfs/dbraw/zinc/07/21/95/434072195.db2.gz HWWHOUWOYNFIHW-ACZWYYKOSA-N 3 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422877374 434072203 /nfs/dbraw/zinc/07/22/03/434072203.db2.gz HWWHOUWOYNFIHW-ACZWYYKOSA-N 3 1 315.505 3.134 20 0 DGADMP N[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878982 434076465 /nfs/dbraw/zinc/07/64/65/434076465.db2.gz LPVPCTHDUVGGME-QZTJIDSGSA-N 2 1 321.896 3.021 20 0 DGADMP [O-]c1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302607 434077067 /nfs/dbraw/zinc/07/70/67/434077067.db2.gz PZKWPTBAVYCLMY-CJNGLKHVSA-N 2 1 320.864 3.494 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885700 434080266 /nfs/dbraw/zinc/08/02/66/434080266.db2.gz UYARTPHQSNUFLT-MNEFBYGVSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885700 434080274 /nfs/dbraw/zinc/08/02/74/434080274.db2.gz UYARTPHQSNUFLT-MNEFBYGVSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885700 434080282 /nfs/dbraw/zinc/08/02/82/434080282.db2.gz UYARTPHQSNUFLT-MNEFBYGVSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422885700 434080287 /nfs/dbraw/zinc/08/02/87/434080287.db2.gz UYARTPHQSNUFLT-MNEFBYGVSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422885700 434080299 /nfs/dbraw/zinc/08/02/99/434080299.db2.gz UYARTPHQSNUFLT-MNEFBYGVSA-N 2 1 301.478 3.375 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422882574 434082690 /nfs/dbraw/zinc/08/26/90/434082690.db2.gz PEGNJKUNGSQGTP-IAGOWNOFSA-N 2 1 303.450 3.175 20 0 DGADMP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360802 434082803 /nfs/dbraw/zinc/08/28/03/434082803.db2.gz UXIIOUWKYBBCMO-UXHICEINSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360802 434082810 /nfs/dbraw/zinc/08/28/10/434082810.db2.gz UXIIOUWKYBBCMO-UXHICEINSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360802 434082816 /nfs/dbraw/zinc/08/28/16/434082816.db2.gz UXIIOUWKYBBCMO-UXHICEINSA-N 2 1 313.489 3.064 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422882551 434083980 /nfs/dbraw/zinc/08/39/80/434083980.db2.gz PEGNJKUNGSQGTP-DLBZAZTESA-N 2 1 303.450 3.175 20 0 DGADMP C[C@H](O)C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307087938 434086581 /nfs/dbraw/zinc/08/65/81/434086581.db2.gz SKVRWSAXSCXRAK-SFHVURJKSA-N 2 1 312.457 3.049 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422895710 434091232 /nfs/dbraw/zinc/09/12/32/434091232.db2.gz GJIFGGYNQBKSDY-NEPJUHHUSA-N 2 1 303.269 3.260 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000378162408 434098156 /nfs/dbraw/zinc/09/81/56/434098156.db2.gz RWDHCLFLQDCPSI-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccccc1Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422905109 434098243 /nfs/dbraw/zinc/09/82/43/434098243.db2.gz HSEKOZFQJLXUSM-IRXDYDNUSA-N 2 1 312.413 3.457 20 0 DGADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000285718550 434048673 /nfs/dbraw/zinc/04/86/73/434048673.db2.gz WUISXHAUBHTIGK-HOJAQTOUSA-N 2 1 314.473 3.152 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422857454 434055213 /nfs/dbraw/zinc/05/52/13/434055213.db2.gz HPYXVUVSKPURJG-WOJBJXKFSA-N 2 1 310.441 3.373 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422907228 434104069 /nfs/dbraw/zinc/10/40/69/434104069.db2.gz LDISJMKUSAFPLE-HUUCEWRRSA-N 2 1 304.482 3.045 20 0 DGADMP COC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000422919714 434109793 /nfs/dbraw/zinc/10/97/93/434109793.db2.gz KESRJOLDGKROEG-QGTPRVQTSA-N 2 1 308.441 3.414 20 0 DGADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1Cl ZINC000422934455 434119696 /nfs/dbraw/zinc/11/96/96/434119696.db2.gz FZSNMIYNLNPAMK-GUYCJALGSA-N 2 1 318.848 3.397 20 0 DGADMP CC(C)CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498890814 294072555 /nfs/dbraw/zinc/07/25/55/294072555.db2.gz LORXAAKAJKRIGS-LJQANCHMSA-N 2 1 310.526 3.493 20 0 DGADMP CC(C)CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498890814 294072556 /nfs/dbraw/zinc/07/25/56/294072556.db2.gz LORXAAKAJKRIGS-LJQANCHMSA-N 2 1 310.526 3.493 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499228711 294081609 /nfs/dbraw/zinc/08/16/09/294081609.db2.gz MMAODDAJBWXSMU-HAGHYFMRSA-N 2 1 316.489 3.179 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709565 294330840 /nfs/dbraw/zinc/33/08/40/294330840.db2.gz HYLUOOQBPWTTCJ-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709565 294330841 /nfs/dbraw/zinc/33/08/41/294330841.db2.gz HYLUOOQBPWTTCJ-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709565 294330843 /nfs/dbraw/zinc/33/08/43/294330843.db2.gz HYLUOOQBPWTTCJ-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP c1ccc(N2CCN(CCC[N@H+]3CC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000509181816 294342179 /nfs/dbraw/zinc/34/21/79/294342179.db2.gz SIKIMRGTPGMQRI-QUCCMNQESA-N 2 1 313.489 3.073 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000346122897 434131299 /nfs/dbraw/zinc/13/12/99/434131299.db2.gz SMJCACHMEFNNEM-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000509924667 294368526 /nfs/dbraw/zinc/36/85/26/294368526.db2.gz COFMBEAUTZAIGV-KULRYTOVSA-N 2 1 314.473 3.453 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000509924667 294368528 /nfs/dbraw/zinc/36/85/28/294368528.db2.gz COFMBEAUTZAIGV-KULRYTOVSA-N 2 1 314.473 3.453 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422959374 434136972 /nfs/dbraw/zinc/13/69/72/434136972.db2.gz RUABJLIMHFMVFY-KGLIPLIRSA-N 2 1 315.230 3.338 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457447 434139822 /nfs/dbraw/zinc/13/98/22/434139822.db2.gz WMXTYNGSGJJHIJ-DZKIICNBSA-N 2 1 316.424 3.145 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457447 434139829 /nfs/dbraw/zinc/13/98/29/434139829.db2.gz WMXTYNGSGJJHIJ-DZKIICNBSA-N 2 1 316.424 3.145 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000353447512 434141418 /nfs/dbraw/zinc/14/14/18/434141418.db2.gz MMAPQQHCEUQMIN-UONOGXRCSA-N 2 1 324.490 3.450 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000353447512 434141425 /nfs/dbraw/zinc/14/14/25/434141425.db2.gz MMAPQQHCEUQMIN-UONOGXRCSA-N 2 1 324.490 3.450 20 0 DGADMP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCCN1 ZINC000422968478 434142149 /nfs/dbraw/zinc/14/21/49/434142149.db2.gz RDKCAYRGMPMSAC-UGXKVIGPSA-N 2 1 307.526 3.150 20 0 DGADMP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCCN1 ZINC000422968475 434144041 /nfs/dbraw/zinc/14/40/41/434144041.db2.gz RDKCAYRGMPMSAC-LWSMDNFKSA-N 2 1 307.526 3.150 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCO1 ZINC000422985035 434155044 /nfs/dbraw/zinc/15/50/44/434155044.db2.gz BUKLBCBWQXCPDV-MKXGPGLRSA-N 2 1 302.462 3.273 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423000000 434159765 /nfs/dbraw/zinc/15/97/65/434159765.db2.gz GLSYRJRXBBURRT-ZIFCJYIRSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423024421 434170277 /nfs/dbraw/zinc/17/02/77/434170277.db2.gz JGCBFFZJPKKLEM-ZBFHGGJFSA-N 2 1 316.445 3.305 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000450424425 434172365 /nfs/dbraw/zinc/17/23/65/434172365.db2.gz KQCFKFAOTYIBBZ-RLLQIKCJSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423104204 434220326 /nfs/dbraw/zinc/22/03/26/434220326.db2.gz GVKANIZQSAQEFS-OCCSQVGLSA-N 2 1 300.368 3.267 20 0 DGADMP COCCC(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423030686 434177248 /nfs/dbraw/zinc/17/72/48/434177248.db2.gz CGQJHFLLPPGLKW-ROUUACIJSA-N 2 1 320.477 3.141 20 0 DGADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423029760 434179651 /nfs/dbraw/zinc/17/96/51/434179651.db2.gz VIUNZYCKCNRHDF-QYZOEREBSA-N 2 1 302.462 3.011 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423042646 434184271 /nfs/dbraw/zinc/18/42/71/434184271.db2.gz ZVPIDAOUWQTWMB-AWEZNQCLSA-N 2 1 311.429 3.275 20 0 DGADMP CC[C@@H](C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1)[NH+]1CCCC1 ZINC000513519888 294475973 /nfs/dbraw/zinc/47/59/73/294475973.db2.gz RNDVSNUMCZNOMO-AZUAARDMSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423055143 434193949 /nfs/dbraw/zinc/19/39/49/434193949.db2.gz CTULGOODRCECSN-NSHDSACASA-N 2 1 320.234 3.416 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423052142 434194519 /nfs/dbraw/zinc/19/45/19/434194519.db2.gz PVGRPQHWLUSFPH-HIFRSBDPSA-N 2 1 311.429 3.273 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000353516547 434195445 /nfs/dbraw/zinc/19/54/45/434195445.db2.gz HFNYAKRYYKSTNG-SOAGJPPSSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]([NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423061058 434199136 /nfs/dbraw/zinc/19/91/36/434199136.db2.gz PXNVNNZGYLISHU-IUODEOHRSA-N 2 1 312.379 3.467 20 0 DGADMP C[N@@H+](CCCN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000317187150 434201875 /nfs/dbraw/zinc/20/18/75/434201875.db2.gz WREZIKUBNBKWKM-OALUTQOASA-N 2 1 301.478 3.375 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000353531116 434202051 /nfs/dbraw/zinc/20/20/51/434202051.db2.gz UNMYRLCASBVLTP-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000295112054 434203013 /nfs/dbraw/zinc/20/30/13/434203013.db2.gz XKPGITFFGKNDJY-CJNGLKHVSA-N 2 1 310.869 3.211 20 0 DGADMP c1cc2c(nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000423072408 434203099 /nfs/dbraw/zinc/20/30/99/434203099.db2.gz HEWKKKNLXFXFRU-YZGWKJHDSA-N 2 1 313.489 3.361 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000353532337 434205800 /nfs/dbraw/zinc/20/58/00/434205800.db2.gz WGFJUCRINRORLD-SOAGJPPSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437063935 434212108 /nfs/dbraw/zinc/21/21/08/434212108.db2.gz GRRBXWBXCVQALI-SUMWQHHRSA-N 2 1 319.880 3.304 20 0 DGADMP COCCC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)cc1 ZINC000423097106 434212465 /nfs/dbraw/zinc/21/24/65/434212465.db2.gz AIJKHPMBCHDZGZ-QGPMSJSTSA-N 2 1 324.896 3.438 20 0 DGADMP C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423089742 434214002 /nfs/dbraw/zinc/21/40/02/434214002.db2.gz VTUZJTJRRXCYTE-OAHLLOKOSA-N 2 1 310.445 3.061 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](Cc2ccccc2)OC)CC1 ZINC000295126042 434217700 /nfs/dbraw/zinc/21/77/00/434217700.db2.gz XMWRVSPQKKONDX-IBGZPJMESA-N 2 1 304.478 3.050 20 0 DGADMP COCc1nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(-c2ccccc2)s1 ZINC000423104055 434218034 /nfs/dbraw/zinc/21/80/34/434218034.db2.gz PRRLPZQKBJHADX-CHWSQXEVSA-N 2 1 319.474 3.172 20 0 DGADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000423098760 434219879 /nfs/dbraw/zinc/21/98/79/434219879.db2.gz LHINRQQTPPNGAV-LMCLKVLCSA-N 2 1 302.462 3.273 20 0 DGADMP COc1cc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1Cl ZINC000423140412 434242153 /nfs/dbraw/zinc/24/21/53/434242153.db2.gz YDUYRXBNBJHTFV-LLVKDONJSA-N 2 1 305.809 3.049 20 0 DGADMP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000320603702 434242636 /nfs/dbraw/zinc/24/26/36/434242636.db2.gz CBTZRGNHBCDAPB-HDICACEKSA-N 2 1 302.462 3.004 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000286368291 434245519 /nfs/dbraw/zinc/24/55/19/434245519.db2.gz ZLTJYYUNXBWJKA-HZPDHXFCSA-N 2 1 320.477 3.395 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423150966 434248497 /nfs/dbraw/zinc/24/84/97/434248497.db2.gz JLXGTDKINZDAHN-CVEARBPZSA-N 2 1 314.477 3.170 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)O1 ZINC000379628948 434259194 /nfs/dbraw/zinc/25/91/94/434259194.db2.gz JGFMGYZYJGZBSP-ZAWLATJESA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)O1 ZINC000379628948 434259205 /nfs/dbraw/zinc/25/92/05/434259205.db2.gz JGFMGYZYJGZBSP-ZAWLATJESA-N 2 1 302.462 3.197 20 0 DGADMP COc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000379656266 434259299 /nfs/dbraw/zinc/25/92/99/434259299.db2.gz OQICHQYDOQCYJO-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP COc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000379656266 434259308 /nfs/dbraw/zinc/25/93/08/434259308.db2.gz OQICHQYDOQCYJO-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP C[C@H](CCN[C@@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625169 434260836 /nfs/dbraw/zinc/26/08/36/434260836.db2.gz FLJPYEQRJFOJSD-NZSAHSFTSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379625169 434260847 /nfs/dbraw/zinc/26/08/47/434260847.db2.gz FLJPYEQRJFOJSD-NZSAHSFTSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625169 434260851 /nfs/dbraw/zinc/26/08/51/434260851.db2.gz FLJPYEQRJFOJSD-NZSAHSFTSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423170465 434262225 /nfs/dbraw/zinc/26/22/25/434262225.db2.gz MCEKLXAGPKRCIA-RVSPLBMKSA-N 2 1 315.442 3.050 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380948775 434267712 /nfs/dbraw/zinc/26/77/12/434267712.db2.gz QFKSZLIRTLREHD-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCCCC2)CC1 ZINC000450501282 434231007 /nfs/dbraw/zinc/23/10/07/434231007.db2.gz NADYCEDSQBIRME-IBGZPJMESA-N 2 1 307.526 3.200 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000353573001 434236790 /nfs/dbraw/zinc/23/67/90/434236790.db2.gz JSUMLGZSZYGMQC-FUMNGEBKSA-N 2 1 316.489 3.412 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000381984422 434275865 /nfs/dbraw/zinc/27/58/65/434275865.db2.gz NOTYFPLNYTYOLB-LMCOJAPRSA-N 2 1 316.489 3.302 20 0 DGADMP c1cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)nc2[nH]1 ZINC000353620288 434279858 /nfs/dbraw/zinc/27/98/58/434279858.db2.gz JCQHJXDEBFKIHE-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423200032 434282173 /nfs/dbraw/zinc/28/21/73/434282173.db2.gz LLVWFIBMLITHFQ-HOCLYGCPSA-N 2 1 324.440 3.034 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000340672042 434284653 /nfs/dbraw/zinc/28/46/53/434284653.db2.gz RVLLZYKKDQWVHF-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000340672042 434284663 /nfs/dbraw/zinc/28/46/63/434284663.db2.gz RVLLZYKKDQWVHF-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000358011206 434285470 /nfs/dbraw/zinc/28/54/70/434285470.db2.gz YSMUUAUSSUZNJH-IJEWVQPXSA-N 2 1 306.450 3.227 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000358011206 434285477 /nfs/dbraw/zinc/28/54/77/434285477.db2.gz YSMUUAUSSUZNJH-IJEWVQPXSA-N 2 1 306.450 3.227 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000286679137 434286026 /nfs/dbraw/zinc/28/60/26/434286026.db2.gz AUTIKHMAJKZRHZ-SFHVURJKSA-N 2 1 324.896 3.048 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423216365 434288902 /nfs/dbraw/zinc/28/89/02/434288902.db2.gz RUHLPMKONWYUSO-RYUDHWBXSA-N 2 1 302.340 3.235 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450600445 434289078 /nfs/dbraw/zinc/28/90/78/434289078.db2.gz NQICYBBCZHFQJP-SXLOBPIMSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450600445 434289087 /nfs/dbraw/zinc/28/90/87/434289087.db2.gz NQICYBBCZHFQJP-SXLOBPIMSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450600445 434289093 /nfs/dbraw/zinc/28/90/93/434289093.db2.gz NQICYBBCZHFQJP-SXLOBPIMSA-N 2 1 319.537 3.198 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000437599041 434299883 /nfs/dbraw/zinc/29/98/83/434299883.db2.gz HJOXMBCLKCMLIH-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000353650174 434304868 /nfs/dbraw/zinc/30/48/68/434304868.db2.gz ZPKKJQKCGRURGU-UHFFFAOYSA-N 2 1 313.445 3.192 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000348398850 434305123 /nfs/dbraw/zinc/30/51/23/434305123.db2.gz URVFCXLJZZICNZ-QZTJIDSGSA-N 3 1 306.498 3.072 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@]1(C)CC[NH2+]C1 ZINC000340700334 434308333 /nfs/dbraw/zinc/30/83/33/434308333.db2.gz FOAIEGJCYMVZAL-LJQANCHMSA-N 2 1 313.445 3.206 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287193163 434309158 /nfs/dbraw/zinc/30/91/58/434309158.db2.gz VYVGKGHNWHTYTQ-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000295323148 434309215 /nfs/dbraw/zinc/30/92/15/434309215.db2.gz LXECPAWPEMZCFI-ROUUACIJSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000295323148 434309226 /nfs/dbraw/zinc/30/92/26/434309226.db2.gz LXECPAWPEMZCFI-ROUUACIJSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@@H+]1Cc1ccccc1 ZINC000358064416 434311714 /nfs/dbraw/zinc/31/17/14/434311714.db2.gz QKTLJOZHQIKADI-DOTOQJQBSA-N 2 1 315.486 3.328 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@H+]1Cc1ccccc1 ZINC000358064416 434311719 /nfs/dbraw/zinc/31/17/19/434311719.db2.gz QKTLJOZHQIKADI-DOTOQJQBSA-N 2 1 315.486 3.328 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348423837 434313444 /nfs/dbraw/zinc/31/34/44/434313444.db2.gz VZEWYUDYTCQBLA-ZNMIVQPWSA-N 2 1 322.415 3.196 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348423837 434313453 /nfs/dbraw/zinc/31/34/53/434313453.db2.gz VZEWYUDYTCQBLA-ZNMIVQPWSA-N 2 1 322.415 3.196 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000423252386 434314738 /nfs/dbraw/zinc/31/47/38/434314738.db2.gz UCWXBXBCBUWMEA-ZCNNSNEGSA-N 2 1 309.457 3.112 20 0 DGADMP CC(C)(C)C1CCC(O)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358081037 434322515 /nfs/dbraw/zinc/32/25/15/434322515.db2.gz JOGGDRGQMLXXGT-VIHIWDAPSA-N 2 1 308.510 3.170 20 0 DGADMP CS[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1[NH+](C)C ZINC000340740908 434334312 /nfs/dbraw/zinc/33/43/12/434334312.db2.gz IODBHOYZUWMZMZ-CVEARBPZSA-N 2 1 321.877 3.370 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423262434 434324454 /nfs/dbraw/zinc/32/44/54/434324454.db2.gz MMOZCCHJTWDZJC-NSISKUIASA-N 2 1 315.505 3.147 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353675229 434324691 /nfs/dbraw/zinc/32/46/91/434324691.db2.gz SZPFHEUVGCKHSB-AQNXPRMDSA-N 2 1 324.472 3.143 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Br ZINC000423264472 434324779 /nfs/dbraw/zinc/32/47/79/434324779.db2.gz BZVWGVUHTRNRMW-ZWNOBZJWSA-N 2 1 315.255 3.092 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000387790989 434326267 /nfs/dbraw/zinc/32/62/67/434326267.db2.gz MTQXOXZOROUUNK-XWTMOSNGSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000387790989 434326278 /nfs/dbraw/zinc/32/62/78/434326278.db2.gz MTQXOXZOROUUNK-XWTMOSNGSA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000388108583 434328027 /nfs/dbraw/zinc/32/80/27/434328027.db2.gz WSNVLOPGVVEQNC-WBVHZDCISA-N 2 1 305.466 3.269 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423269747 434328890 /nfs/dbraw/zinc/32/88/90/434328890.db2.gz HMOLZSMAZGZOPJ-BXUZGUMPSA-N 2 1 304.356 3.262 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000358093472 434329249 /nfs/dbraw/zinc/32/92/49/434329249.db2.gz ZXOVIWUAHYPCBY-FHSNZYRGSA-N 2 1 301.409 3.490 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423271771 434329445 /nfs/dbraw/zinc/32/94/45/434329445.db2.gz JIGWXTCJKZXKRT-ZIAGYGMSSA-N 2 1 302.340 3.145 20 0 DGADMP Brc1ccccc1C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423192597 434277958 /nfs/dbraw/zinc/27/79/58/434277958.db2.gz PTSUMIAOHFUXJQ-GDBMZVCRSA-N 2 1 323.278 3.112 20 0 DGADMP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000423322497 434361471 /nfs/dbraw/zinc/36/14/71/434361471.db2.gz HGMJOKUYZMMOEO-CVEARBPZSA-N 2 1 317.477 3.091 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C1CC1 ZINC000423336014 434369033 /nfs/dbraw/zinc/36/90/33/434369033.db2.gz XPNLDLYEZKVJCI-QZTJIDSGSA-N 2 1 315.848 3.346 20 0 DGADMP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCC ZINC000423333814 434370667 /nfs/dbraw/zinc/37/06/67/434370667.db2.gz WAVXBMNJGJTSQW-CVEARBPZSA-N 2 1 306.450 3.262 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)C[NH3+])CCC3)cc1 ZINC000423342905 434373577 /nfs/dbraw/zinc/37/35/77/434373577.db2.gz ZJYMPNVCPZDKCD-BXUZGUMPSA-N 2 1 317.458 3.133 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000358193303 434379301 /nfs/dbraw/zinc/37/93/01/434379301.db2.gz ARMSCRYQUWNUTK-YESZJQIVSA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000358193303 434379312 /nfs/dbraw/zinc/37/93/12/434379312.db2.gz ARMSCRYQUWNUTK-YESZJQIVSA-N 2 1 308.853 3.244 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423360727 434380429 /nfs/dbraw/zinc/38/04/29/434380429.db2.gz QPRHGLDESGCMAE-QAPCUYQASA-N 2 1 317.477 3.091 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000353744023 434382843 /nfs/dbraw/zinc/38/28/43/434382843.db2.gz DIVOSASUPKVULF-GOEBONIOSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000353744023 434382866 /nfs/dbraw/zinc/38/28/66/434382866.db2.gz DIVOSASUPKVULF-GOEBONIOSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000353744023 434382874 /nfs/dbraw/zinc/38/28/74/434382874.db2.gz DIVOSASUPKVULF-GOEBONIOSA-N 2 1 306.450 3.008 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000518514809 294724061 /nfs/dbraw/zinc/72/40/61/294724061.db2.gz ZJWKMOIKEHJVSF-QZTJIDSGSA-N 2 1 315.461 3.175 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000353745733 434388608 /nfs/dbraw/zinc/38/86/08/434388608.db2.gz JCEMONZHMNKZNB-APWZRJJASA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000353745733 434388616 /nfs/dbraw/zinc/38/86/16/434388616.db2.gz JCEMONZHMNKZNB-APWZRJJASA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000353745733 434388625 /nfs/dbraw/zinc/38/86/25/434388625.db2.gz JCEMONZHMNKZNB-APWZRJJASA-N 2 1 312.461 3.177 20 0 DGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423275332 434335216 /nfs/dbraw/zinc/33/52/16/434335216.db2.gz LQQNGWSVASHADQ-UONOGXRCSA-N 2 1 309.251 3.072 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423279851 434337059 /nfs/dbraw/zinc/33/70/59/434337059.db2.gz RWLDIOSQIVRVQU-UCLAIMLFSA-N 3 1 312.461 3.349 20 0 DGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423282469 434337499 /nfs/dbraw/zinc/33/74/99/434337499.db2.gz VCRHHSBNRVYRTG-ZIAGYGMSSA-N 2 1 315.230 3.366 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423286365 434341223 /nfs/dbraw/zinc/34/12/23/434341223.db2.gz GVEVHBJUZALNOH-LLVKDONJSA-N 2 1 316.392 3.465 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288783 434344363 /nfs/dbraw/zinc/34/43/63/434344363.db2.gz UZHLUKOPXMQZHO-WMZOPIPTSA-N 2 1 303.494 3.004 20 0 DGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289377 434344417 /nfs/dbraw/zinc/34/44/17/434344417.db2.gz XAYOSPQTXBIZAV-GOSISDBHSA-N 2 1 316.420 3.445 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423289369 434344657 /nfs/dbraw/zinc/34/46/57/434344657.db2.gz XAESJTWMRITODT-ZDUSSCGKSA-N 2 1 318.440 3.488 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423289176 434345480 /nfs/dbraw/zinc/34/54/80/434345480.db2.gz WKDCAJCWVNGIOR-MRXNPFEDSA-N 2 1 303.837 3.346 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423294825 434345573 /nfs/dbraw/zinc/34/55/73/434345573.db2.gz CVHUQEPMOPBUKX-BHIYHBOVSA-N 2 1 303.494 3.004 20 0 DGADMP CC(C)([NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289043 434346686 /nfs/dbraw/zinc/34/66/86/434346686.db2.gz VXPYLNCUKQWSAV-GBESFXJTSA-N 2 1 315.505 3.004 20 0 DGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423305782 434354072 /nfs/dbraw/zinc/35/40/72/434354072.db2.gz RLNAJZWVOIMSHX-GFCCVEGCSA-N 2 1 301.459 3.297 20 0 DGADMP CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358157783 434357328 /nfs/dbraw/zinc/35/73/28/434357328.db2.gz PABOKLSOOALLSM-KBXCAEBGSA-N 2 1 301.434 3.382 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358157791 434357789 /nfs/dbraw/zinc/35/77/89/434357789.db2.gz PABOKLSOOALLSM-KSSFIOAISA-N 2 1 301.434 3.382 20 0 DGADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000390552007 434359438 /nfs/dbraw/zinc/35/94/38/434359438.db2.gz YHICZXUIKTVBOV-IOMROCGXSA-N 2 1 321.468 3.385 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000423324860 434359637 /nfs/dbraw/zinc/35/96/37/434359637.db2.gz IJIDISMNUGRLFE-RDTXWAMCSA-N 2 1 315.461 3.127 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000366537158 434442403 /nfs/dbraw/zinc/44/24/03/434442403.db2.gz VRDMLDANILDCOS-GUYCJALGSA-N 2 1 319.474 3.325 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000423378057 434393257 /nfs/dbraw/zinc/39/32/57/434393257.db2.gz MBCNCHTVZHVMRO-SRVKXCTJSA-N 2 1 312.841 3.148 20 0 DGADMP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423376802 434393371 /nfs/dbraw/zinc/39/33/71/434393371.db2.gz YPUKIHYHYMREMV-CABCVRRESA-N 2 1 316.367 3.125 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc2c(s1)CCCC2 ZINC000423388202 434398745 /nfs/dbraw/zinc/39/87/45/434398745.db2.gz NGHQVSFGCKTCAU-GFCCVEGCSA-N 2 1 313.470 3.476 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1Br ZINC000423391815 434401977 /nfs/dbraw/zinc/40/19/77/434401977.db2.gz LBOPKDDSOIRQIQ-TUKIKUTGSA-N 2 1 311.267 3.488 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@]2(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358656229 434402280 /nfs/dbraw/zinc/40/22/80/434402280.db2.gz XJWDLWLSRNFOFH-LMCOJAPRSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@]2(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358656229 434402288 /nfs/dbraw/zinc/40/22/88/434402288.db2.gz XJWDLWLSRNFOFH-LMCOJAPRSA-N 2 1 316.489 3.180 20 0 DGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C[C@@H]21 ZINC000450773874 434404124 /nfs/dbraw/zinc/40/41/24/434404124.db2.gz BPPZCHCMUPHPSD-BZNIZROVSA-N 2 1 321.346 3.394 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C[C@@H]21 ZINC000450773874 434404125 /nfs/dbraw/zinc/40/41/25/434404125.db2.gz BPPZCHCMUPHPSD-BZNIZROVSA-N 2 1 321.346 3.394 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407263 434405584 /nfs/dbraw/zinc/40/55/84/434405584.db2.gz ZPEYZYUXRJNOJK-WAPOTWQKSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423407263 434405594 /nfs/dbraw/zinc/40/55/94/434405594.db2.gz ZPEYZYUXRJNOJK-WAPOTWQKSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407263 434405603 /nfs/dbraw/zinc/40/56/03/434405603.db2.gz ZPEYZYUXRJNOJK-WAPOTWQKSA-N 3 1 313.489 3.042 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752301 434405723 /nfs/dbraw/zinc/40/57/23/434405723.db2.gz RZROOEOSIRHDQC-DOTOQJQBSA-N 2 1 318.461 3.153 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438103170 434408765 /nfs/dbraw/zinc/40/87/65/434408765.db2.gz XNCOQPRTIGPOTQ-VQIMIIECSA-N 2 1 322.468 3.362 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000366412320 434412481 /nfs/dbraw/zinc/41/24/81/434412481.db2.gz BEQHLFJIVKBWNQ-IBGZPJMESA-N 2 1 312.461 3.485 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000366412320 434412487 /nfs/dbraw/zinc/41/24/87/434412487.db2.gz BEQHLFJIVKBWNQ-IBGZPJMESA-N 2 1 312.461 3.485 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc(F)cc1 ZINC000438113087 434415005 /nfs/dbraw/zinc/41/50/05/434415005.db2.gz AQTQMCHNHSFFKK-DQEVTTJGSA-N 2 1 320.452 3.113 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395141102 434414986 /nfs/dbraw/zinc/41/49/86/434414986.db2.gz HKYXVCPMKUNVJP-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccc(F)cc1 ZINC000438113090 434416261 /nfs/dbraw/zinc/41/62/61/434416261.db2.gz AQTQMCHNHSFFKK-ZWQIFLOQSA-N 2 1 320.452 3.113 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438182948 434431010 /nfs/dbraw/zinc/43/10/10/434431010.db2.gz VHUGJTBHNXBCQY-DLBZAZTESA-N 2 1 302.462 3.228 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000423456184 434431406 /nfs/dbraw/zinc/43/14/06/434431406.db2.gz DJOANZOFUWYJMX-CHWSQXEVSA-N 2 1 303.219 3.366 20 0 DGADMP COCC(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348646812 434432457 /nfs/dbraw/zinc/43/24/57/434432457.db2.gz PYCWQSWTWGDWDB-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP COCC(C)(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348646812 434432468 /nfs/dbraw/zinc/43/24/68/434432468.db2.gz PYCWQSWTWGDWDB-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP COCC(C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348646812 434432474 /nfs/dbraw/zinc/43/24/74/434432474.db2.gz PYCWQSWTWGDWDB-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423464300 434435184 /nfs/dbraw/zinc/43/51/84/434435184.db2.gz QSISSIJRTAYPLJ-AFYVEPGGSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423464300 434435190 /nfs/dbraw/zinc/43/51/90/434435190.db2.gz QSISSIJRTAYPLJ-AFYVEPGGSA-N 2 1 315.505 3.004 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)co2)cc1 ZINC000397406299 434436467 /nfs/dbraw/zinc/43/64/67/434436467.db2.gz LVZXIWFQGMHXPP-INMHGKMJSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)co2)cc1 ZINC000397406299 434436476 /nfs/dbraw/zinc/43/64/76/434436476.db2.gz LVZXIWFQGMHXPP-INMHGKMJSA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H]([NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000423473222 434439679 /nfs/dbraw/zinc/43/96/79/434439679.db2.gz QQBXXSOWISHXII-AHIWAGSCSA-N 2 1 303.837 3.344 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCS2 ZINC000423499219 434458724 /nfs/dbraw/zinc/45/87/24/434458724.db2.gz IZCYGCPKAXDYTO-CVEARBPZSA-N 2 1 306.475 3.339 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOC1CCC1 ZINC000287833657 434464633 /nfs/dbraw/zinc/46/46/33/434464633.db2.gz QGMJRPVLCQEMJN-YRWFTTLQSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCC[NH2+]C2CC2)cnn1-c1ccc(F)cc1 ZINC000423525321 434477740 /nfs/dbraw/zinc/47/77/40/434477740.db2.gz KIZGWSFHPKYBDS-ZDUSSCGKSA-N 2 1 316.424 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@@H+]1C ZINC000360022746 434480294 /nfs/dbraw/zinc/48/02/94/434480294.db2.gz IMZIKENPDDDJMY-AEFFLSMTSA-N 2 1 324.472 3.422 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@H+]1C ZINC000360022746 434480306 /nfs/dbraw/zinc/48/03/06/434480306.db2.gz IMZIKENPDDDJMY-AEFFLSMTSA-N 2 1 324.472 3.422 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252897 434488287 /nfs/dbraw/zinc/48/82/87/434488287.db2.gz DCSUPLKYNCDDSE-RTBURBONSA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252897 434488293 /nfs/dbraw/zinc/48/82/93/434488293.db2.gz DCSUPLKYNCDDSE-RTBURBONSA-N 2 1 316.489 3.302 20 0 DGADMP O=C1CCC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000450877382 434453442 /nfs/dbraw/zinc/45/34/42/434453442.db2.gz KVKZVKYMFNMFDE-UHFFFAOYSA-N 2 1 315.461 3.158 20 0 DGADMP COC1(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCCCC1 ZINC000359972181 434454202 /nfs/dbraw/zinc/45/42/02/434454202.db2.gz UOIAQSWBUFIBOA-UHFFFAOYSA-N 2 1 316.489 3.374 20 0 DGADMP COC1(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000359972181 434454212 /nfs/dbraw/zinc/45/42/12/434454212.db2.gz UOIAQSWBUFIBOA-UHFFFAOYSA-N 2 1 316.489 3.374 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000438642831 434522832 /nfs/dbraw/zinc/52/28/32/434522832.db2.gz REXPNEYTLSWGEW-QGZVFWFLSA-N 2 1 308.510 3.268 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C)C[C@H]1C ZINC000438818627 434529879 /nfs/dbraw/zinc/52/98/79/434529879.db2.gz JNASUGILXQLJCD-SJORKVTESA-N 2 1 317.477 3.128 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@H]1C ZINC000353923786 434530385 /nfs/dbraw/zinc/53/03/85/434530385.db2.gz APGZUQFBLRDRSP-OWSLCNJRSA-N 2 1 324.509 3.208 20 0 DGADMP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000353935478 434534944 /nfs/dbraw/zinc/53/49/44/434534944.db2.gz ZXBIMDSMRYZHAP-UHFFFAOYSA-N 2 1 323.484 3.361 20 0 DGADMP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000353935478 434534953 /nfs/dbraw/zinc/53/49/53/434534953.db2.gz ZXBIMDSMRYZHAP-UHFFFAOYSA-N 2 1 323.484 3.361 20 0 DGADMP CN(Cc1c[nH]nc1-c1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348873950 434537342 /nfs/dbraw/zinc/53/73/42/434537342.db2.gz GOBSTCOBWRRINC-XYPWUTKMSA-N 2 1 316.474 3.195 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348873950 434537360 /nfs/dbraw/zinc/53/73/60/434537360.db2.gz GOBSTCOBWRRINC-XYPWUTKMSA-N 2 1 316.474 3.195 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348873950 434537362 /nfs/dbraw/zinc/53/73/62/434537362.db2.gz GOBSTCOBWRRINC-XYPWUTKMSA-N 2 1 316.474 3.195 20 0 DGADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cc(Br)ccc2C)C1 ZINC000438905618 434539611 /nfs/dbraw/zinc/53/96/11/434539611.db2.gz RCLFMGPVEPFZJS-IUODEOHRSA-N 2 1 311.267 3.187 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cc(Br)ccc2C)C1 ZINC000438905618 434539618 /nfs/dbraw/zinc/53/96/18/434539618.db2.gz RCLFMGPVEPFZJS-IUODEOHRSA-N 2 1 311.267 3.187 20 0 DGADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417951791 434553507 /nfs/dbraw/zinc/55/35/07/434553507.db2.gz ZEWAFPWLRWNKMF-WMLDXEAASA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417951791 434553515 /nfs/dbraw/zinc/55/35/15/434553515.db2.gz ZEWAFPWLRWNKMF-WMLDXEAASA-N 2 1 318.490 3.137 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527996644 295162273 /nfs/dbraw/zinc/16/22/73/295162273.db2.gz PXEUIXFHGMWBSY-SJKOYZFVSA-N 2 1 303.425 3.088 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)cn1 ZINC000528042180 295170294 /nfs/dbraw/zinc/17/02/94/295170294.db2.gz DJTLUKPXAFIVTO-GOSISDBHSA-N 2 1 303.450 3.004 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)cn1 ZINC000528043642 295170696 /nfs/dbraw/zinc/17/06/96/295170696.db2.gz OTKQWMYPCUIOQR-LJQANCHMSA-N 2 1 315.461 3.005 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399393 295208273 /nfs/dbraw/zinc/20/82/73/295208273.db2.gz WSCHFQLNDMXNOV-FHLIZLRMSA-N 2 1 308.441 3.318 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399393 295208274 /nfs/dbraw/zinc/20/82/74/295208274.db2.gz WSCHFQLNDMXNOV-FHLIZLRMSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399393 295208276 /nfs/dbraw/zinc/20/82/76/295208276.db2.gz WSCHFQLNDMXNOV-FHLIZLRMSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399393 295208278 /nfs/dbraw/zinc/20/82/78/295208278.db2.gz WSCHFQLNDMXNOV-FHLIZLRMSA-N 2 1 308.441 3.318 20 0 DGADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1F ZINC000423352785 295248183 /nfs/dbraw/zinc/24/81/83/295248183.db2.gz BSJKLEPUYCQQAB-BFYDXBDKSA-N 2 1 306.425 3.202 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000459420832 434584712 /nfs/dbraw/zinc/58/47/12/434584712.db2.gz GMYMTBATJVESIF-VQIMIIECSA-N 2 1 307.526 3.103 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789465 295307642 /nfs/dbraw/zinc/30/76/42/295307642.db2.gz WTDCIAGNJGWLLA-MOPGFXCFSA-N 3 1 301.478 3.032 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789466 295336710 /nfs/dbraw/zinc/33/67/10/295336710.db2.gz WTDCIAGNJGWLLA-OALUTQOASA-N 3 1 301.478 3.032 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000354100624 434618453 /nfs/dbraw/zinc/61/84/53/434618453.db2.gz OGFGHCYGAYRWAX-JFIYKMOQSA-N 2 1 320.477 3.336 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000349208598 434635599 /nfs/dbraw/zinc/63/55/99/434635599.db2.gz MIJAGOFMAOFLAU-ZIFCJYIRSA-N 2 1 316.489 3.226 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNCc2ccnn2-c2ccccc2C)C1 ZINC000354147896 434640283 /nfs/dbraw/zinc/64/02/83/434640283.db2.gz VMDMKMIYLKRWEZ-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000354147896 434640289 /nfs/dbraw/zinc/64/02/89/434640289.db2.gz VMDMKMIYLKRWEZ-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000354147896 434640295 /nfs/dbraw/zinc/64/02/95/434640295.db2.gz VMDMKMIYLKRWEZ-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000354078654 434604694 /nfs/dbraw/zinc/60/46/94/434604694.db2.gz VVPCJFCPAYPCNF-KRWDZBQOSA-N 2 1 308.441 3.067 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000354078603 434606909 /nfs/dbraw/zinc/60/69/09/434606909.db2.gz VGFSIGUBNRDXSM-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000424317169 434692746 /nfs/dbraw/zinc/69/27/46/434692746.db2.gz DQMBFWCGIBYIRG-HUUCEWRRSA-N 2 1 312.498 3.064 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354179076 434656520 /nfs/dbraw/zinc/65/65/20/434656520.db2.gz ZLLHYYWDMAJIEZ-IBGZPJMESA-N 2 1 302.462 3.175 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354179076 434656529 /nfs/dbraw/zinc/65/65/29/434656529.db2.gz ZLLHYYWDMAJIEZ-IBGZPJMESA-N 2 1 302.462 3.175 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354179076 434656534 /nfs/dbraw/zinc/65/65/34/434656534.db2.gz ZLLHYYWDMAJIEZ-IBGZPJMESA-N 2 1 302.462 3.175 20 0 DGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295084 434665775 /nfs/dbraw/zinc/66/57/75/434665775.db2.gz OQVLBUIJEQWIRF-BPQIPLTHSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295084 434665780 /nfs/dbraw/zinc/66/57/80/434665780.db2.gz OQVLBUIJEQWIRF-BPQIPLTHSA-N 2 1 320.502 3.092 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000354215344 434673002 /nfs/dbraw/zinc/67/30/02/434673002.db2.gz IAQNKWFEAWSIAG-CABCVRRESA-N 2 1 324.896 3.268 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000360702892 434673635 /nfs/dbraw/zinc/67/36/35/434673635.db2.gz KWUMMWNDJHKFOF-RLLQIKCJSA-N 2 1 315.505 3.062 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000354215346 434673784 /nfs/dbraw/zinc/67/37/84/434673784.db2.gz IAQNKWFEAWSIAG-HUUCEWRRSA-N 2 1 324.896 3.268 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCCOc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424283372 434677286 /nfs/dbraw/zinc/67/72/86/434677286.db2.gz BNEMDKVBFNFNCJ-OAHLLOKOSA-N 2 1 306.425 3.059 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccco3)n1)CC[NH2+]CC2 ZINC000424283130 434677779 /nfs/dbraw/zinc/67/77/79/434677779.db2.gz ATVBTDPTIMOFEJ-ZDUSSCGKSA-N 2 1 317.458 3.367 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424285993 434677835 /nfs/dbraw/zinc/67/78/35/434677835.db2.gz GPVKLOYCCDJKHW-CYBMUJFWSA-N 2 1 310.844 3.486 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2cc(C)cn2)C[C@@H]1C ZINC000354225954 434677832 /nfs/dbraw/zinc/67/78/32/434677832.db2.gz ZUFCHTRVCKPNAK-ZWKOTPCHSA-N 2 1 306.498 3.166 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2cc(C)cn2)C[C@@H]1C ZINC000354225954 434677837 /nfs/dbraw/zinc/67/78/37/434677837.db2.gz ZUFCHTRVCKPNAK-ZWKOTPCHSA-N 2 1 306.498 3.166 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-c3ccccc3)on1)CC[NH2+]CC2 ZINC000424289739 434680632 /nfs/dbraw/zinc/68/06/32/434680632.db2.gz MLCAHUYPXBNGNQ-HNNXBMFYSA-N 2 1 311.429 3.306 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000459733065 434682395 /nfs/dbraw/zinc/68/23/95/434682395.db2.gz NCIVLWWLDRIPLT-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-c3cccs3)on1)CC[NH2+]CC2 ZINC000424298930 434682597 /nfs/dbraw/zinc/68/25/97/434682597.db2.gz UROXBUSGAIXQOO-CYBMUJFWSA-N 2 1 317.458 3.367 20 0 DGADMP CC[C@](C)([NH2+]C[C@@H](C[NH3+])c1ccc(F)cc1)c1nccs1 ZINC000424303129 434685009 /nfs/dbraw/zinc/68/50/09/434685009.db2.gz NJJCOAIHWAJJMM-CJNGLKHVSA-N 2 1 307.438 3.240 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459735033 434685263 /nfs/dbraw/zinc/68/52/63/434685263.db2.gz PJACJGUEKNBMNS-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000424301165 434685585 /nfs/dbraw/zinc/68/55/85/434685585.db2.gz XHYPDHBYORFGAH-HNNXBMFYSA-N 2 1 311.429 3.306 20 0 DGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000440272689 434691067 /nfs/dbraw/zinc/69/10/67/434691067.db2.gz UURWKZNFPPTBJQ-SFHVURJKSA-N 2 1 323.525 3.019 20 0 DGADMP CC[C@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000419194427 434748949 /nfs/dbraw/zinc/74/89/49/434748949.db2.gz SQYRYACZULDTQT-LJQANCHMSA-N 2 1 304.478 3.255 20 0 DGADMP c1ncc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000411232086 434749824 /nfs/dbraw/zinc/74/98/24/434749824.db2.gz ZHWJDYVUQZYFCN-MRXNPFEDSA-N 2 1 307.507 3.274 20 0 DGADMP c1ncc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000411232086 434749829 /nfs/dbraw/zinc/74/98/29/434749829.db2.gz ZHWJDYVUQZYFCN-MRXNPFEDSA-N 2 1 307.507 3.274 20 0 DGADMP COC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411283366 434755611 /nfs/dbraw/zinc/75/56/11/434755611.db2.gz KULPLLJUINYACR-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349381740 434700694 /nfs/dbraw/zinc/70/06/94/434700694.db2.gz QZGOQSCKUHBUBW-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349399151 434702832 /nfs/dbraw/zinc/70/28/32/434702832.db2.gz CGOLAVNDCBTZQQ-ACAXCVFMSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349399151 434702839 /nfs/dbraw/zinc/70/28/39/434702839.db2.gz CGOLAVNDCBTZQQ-ACAXCVFMSA-N 2 1 316.489 3.443 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cccn2)cc1 ZINC000349409577 434705446 /nfs/dbraw/zinc/70/54/46/434705446.db2.gz REIFKOBXEOYZOS-UHFFFAOYSA-N 2 1 300.450 3.036 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000349416715 434709897 /nfs/dbraw/zinc/70/98/97/434709897.db2.gz LFGPDKHWEQZEFL-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000349416715 434709904 /nfs/dbraw/zinc/70/99/04/434709904.db2.gz LFGPDKHWEQZEFL-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(C(F)(F)F)s1)CC[NH2+]CC2 ZINC000424374287 434713948 /nfs/dbraw/zinc/71/39/48/434713948.db2.gz ICDXBZZZIJTSGB-JTQLQIEISA-N 2 1 319.396 3.126 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000424372450 434714076 /nfs/dbraw/zinc/71/40/76/434714076.db2.gz HTXPXYVYNNGWLP-CYZMBNFOSA-N 2 1 314.376 3.217 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000354346300 434729856 /nfs/dbraw/zinc/72/98/56/434729856.db2.gz HDBAKJXLXUXNTM-APWZRJJASA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000354346300 434729864 /nfs/dbraw/zinc/72/98/64/434729864.db2.gz HDBAKJXLXUXNTM-APWZRJJASA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000354346303 434729960 /nfs/dbraw/zinc/72/99/60/434729960.db2.gz HDBAKJXLXUXNTM-VQIMIIECSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000354346303 434729968 /nfs/dbraw/zinc/72/99/68/434729968.db2.gz HDBAKJXLXUXNTM-VQIMIIECSA-N 2 1 304.478 3.474 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411312441 434760228 /nfs/dbraw/zinc/76/02/28/434760228.db2.gz ZJRXJEJMWRZOHL-GBESFXJTSA-N 2 1 320.452 3.114 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411312440 434761838 /nfs/dbraw/zinc/76/18/38/434761838.db2.gz ZJRXJEJMWRZOHL-FHWLQOOXSA-N 2 1 320.452 3.114 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000411307878 434761937 /nfs/dbraw/zinc/76/19/37/434761937.db2.gz IJHBPMXFARUQHG-IEBWSBKVSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000411307878 434761942 /nfs/dbraw/zinc/76/19/42/434761942.db2.gz IJHBPMXFARUQHG-IEBWSBKVSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307878 434761947 /nfs/dbraw/zinc/76/19/47/434761947.db2.gz IJHBPMXFARUQHG-IEBWSBKVSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307878 434761950 /nfs/dbraw/zinc/76/19/50/434761950.db2.gz IJHBPMXFARUQHG-IEBWSBKVSA-N 2 1 316.489 3.276 20 0 DGADMP CCOC(=O)CCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441411012 434763816 /nfs/dbraw/zinc/76/38/16/434763816.db2.gz MDJKOFVLDMPERU-AEFFLSMTSA-N 2 1 322.493 3.059 20 0 DGADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)[C@@H](C)C1 ZINC000442892391 434773588 /nfs/dbraw/zinc/77/35/88/434773588.db2.gz UWGMUDLVGUDIRK-RBUKOAKNSA-N 2 1 321.553 3.353 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000442880603 434773756 /nfs/dbraw/zinc/77/37/56/434773756.db2.gz YVUCSBIWCDDNRO-AWEZNQCLSA-N 2 1 309.523 3.042 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1(O)CCCC1 ZINC000411404226 434775280 /nfs/dbraw/zinc/77/52/80/434775280.db2.gz WLUNTVATLKYFQZ-UHFFFAOYSA-N 2 1 316.489 3.409 20 0 DGADMP C[C@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411423409 434778646 /nfs/dbraw/zinc/77/86/46/434778646.db2.gz KHWHJKXQOQINTO-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414708036 297248340 /nfs/dbraw/zinc/24/83/40/297248340.db2.gz ONPFEMSNZWEENR-UWVAXJGDSA-N 2 1 316.489 3.137 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cc1cnccn1 ZINC000453054896 434784195 /nfs/dbraw/zinc/78/41/95/434784195.db2.gz CSMPEKXPFQWJQZ-MRXNPFEDSA-N 2 1 312.461 3.038 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000338771992 297285588 /nfs/dbraw/zinc/28/55/88/297285588.db2.gz JMRURAYZIBDFBH-QBIMZIAESA-N 2 1 321.896 3.158 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000338771992 297285590 /nfs/dbraw/zinc/28/55/90/297285590.db2.gz JMRURAYZIBDFBH-QBIMZIAESA-N 2 1 321.896 3.158 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453063824 434788509 /nfs/dbraw/zinc/78/85/09/434788509.db2.gz VVQJWLHXJZPPHF-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP COCC1=CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411553506 434801942 /nfs/dbraw/zinc/80/19/42/434801942.db2.gz IXIFKSABVMUZHM-UHFFFAOYSA-N 2 1 314.473 3.451 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000411575754 434804054 /nfs/dbraw/zinc/80/40/54/434804054.db2.gz WPDYTTOGYLVHIW-WOJBJXKFSA-N 2 1 316.489 3.408 20 0 DGADMP C[C@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411658363 434812391 /nfs/dbraw/zinc/81/23/91/434812391.db2.gz LPNUWFANXOETEM-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453141880 434812821 /nfs/dbraw/zinc/81/28/21/434812821.db2.gz OQZXOUQMOAYWJL-QRVBRYPASA-N 2 1 316.489 3.444 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)nc(C)[nH+]1 ZINC000453143091 434815984 /nfs/dbraw/zinc/81/59/84/434815984.db2.gz UYXMURIAXYMZEL-IBGZPJMESA-N 2 1 314.477 3.231 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000411718156 434820163 /nfs/dbraw/zinc/82/01/63/434820163.db2.gz KLLVSVATRSHJDF-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411733728 434822938 /nfs/dbraw/zinc/82/29/38/434822938.db2.gz GVFZWMPGIATGRV-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000372493956 434834449 /nfs/dbraw/zinc/83/44/49/434834449.db2.gz XJAZPWRUQSRZCT-ZKIDJSGLSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000372493956 434834452 /nfs/dbraw/zinc/83/44/52/434834452.db2.gz XJAZPWRUQSRZCT-ZKIDJSGLSA-N 2 1 314.473 3.054 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372742688 434851420 /nfs/dbraw/zinc/85/14/20/434851420.db2.gz QKHBNDVISFKWBZ-SLFFLAALSA-N 2 1 319.537 3.079 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000573705407 434919280 /nfs/dbraw/zinc/91/92/80/434919280.db2.gz RZTAOOXONLRUHP-MOPGFXCFSA-N 2 1 322.468 3.237 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000573705407 434919282 /nfs/dbraw/zinc/91/92/82/434919282.db2.gz RZTAOOXONLRUHP-MOPGFXCFSA-N 2 1 322.468 3.237 20 0 DGADMP CC(C)[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995076 434905429 /nfs/dbraw/zinc/90/54/29/434905429.db2.gz DOFQWFHGKMIMIE-ZWKOTPCHSA-N 2 1 324.896 3.124 20 0 DGADMP CC(C)[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995076 434905432 /nfs/dbraw/zinc/90/54/32/434905432.db2.gz DOFQWFHGKMIMIE-ZWKOTPCHSA-N 2 1 324.896 3.124 20 0 DGADMP C[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930140 434909507 /nfs/dbraw/zinc/90/95/07/434909507.db2.gz KWWZVGGNWYTXQD-CYBMUJFWSA-N 2 1 319.399 3.287 20 0 DGADMP C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930140 434909512 /nfs/dbraw/zinc/90/95/12/434909512.db2.gz KWWZVGGNWYTXQD-CYBMUJFWSA-N 2 1 319.399 3.287 20 0 DGADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930140 434909515 /nfs/dbraw/zinc/90/95/15/434909515.db2.gz KWWZVGGNWYTXQD-CYBMUJFWSA-N 2 1 319.399 3.287 20 0 DGADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930140 434909519 /nfs/dbraw/zinc/90/95/19/434909519.db2.gz KWWZVGGNWYTXQD-CYBMUJFWSA-N 2 1 319.399 3.287 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099931 434873442 /nfs/dbraw/zinc/87/34/42/434873442.db2.gz DJSCIWGBEUOIMC-LEUOFYLZSA-N 2 1 302.462 3.162 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099931 434873448 /nfs/dbraw/zinc/87/34/48/434873448.db2.gz DJSCIWGBEUOIMC-LEUOFYLZSA-N 2 1 302.462 3.162 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574198870 434959090 /nfs/dbraw/zinc/95/90/90/434959090.db2.gz FTQCLOBPTGCXGN-KVPLUYHFSA-N 2 1 318.505 3.284 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC000638365561 435013431 /nfs/dbraw/zinc/01/34/31/435013431.db2.gz FYGMZAGBASUYDY-IAGOWNOFSA-N 2 1 319.493 3.123 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638448592 435033565 /nfs/dbraw/zinc/03/35/65/435033565.db2.gz VCJHPFBBRWUMQE-WBVHZDCISA-N 2 1 310.507 3.365 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638448592 435033567 /nfs/dbraw/zinc/03/35/67/435033567.db2.gz VCJHPFBBRWUMQE-WBVHZDCISA-N 2 1 310.507 3.365 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638448591 435033586 /nfs/dbraw/zinc/03/35/86/435033586.db2.gz VCJHPFBBRWUMQE-RDJZCZTQSA-N 2 1 310.507 3.365 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638448591 435033588 /nfs/dbraw/zinc/03/35/88/435033588.db2.gz VCJHPFBBRWUMQE-RDJZCZTQSA-N 2 1 310.507 3.365 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638376028 435017140 /nfs/dbraw/zinc/01/71/40/435017140.db2.gz GSBJYCNCYNDVQT-OLZOCXBDSA-N 2 1 314.260 3.292 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638376028 435017142 /nfs/dbraw/zinc/01/71/42/435017142.db2.gz GSBJYCNCYNDVQT-OLZOCXBDSA-N 2 1 314.260 3.292 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000638376449 435018074 /nfs/dbraw/zinc/01/80/74/435018074.db2.gz KQMLKQGOECYAKL-GBESFXJTSA-N 2 1 302.462 3.369 20 0 DGADMP COCC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000638448792 435033856 /nfs/dbraw/zinc/03/38/56/435033856.db2.gz XJCNRWDSQSJNOR-INIZCTEOSA-N 2 1 322.518 3.366 20 0 DGADMP C[C@@H](CO)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638415283 435025977 /nfs/dbraw/zinc/02/59/77/435025977.db2.gz GOPAUOIRQSHUTF-XLIONFOSSA-N 2 1 318.505 3.143 20 0 DGADMP COCC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCC1 ZINC000638448792 435033859 /nfs/dbraw/zinc/03/38/59/435033859.db2.gz XJCNRWDSQSJNOR-INIZCTEOSA-N 2 1 322.518 3.366 20 0 DGADMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)sn1 ZINC000638434523 435030965 /nfs/dbraw/zinc/03/09/65/435030965.db2.gz NGQJPKNKPKIDBL-UHFFFAOYSA-N 2 1 319.474 3.282 20 0 DGADMP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638447218 435032112 /nfs/dbraw/zinc/03/21/12/435032112.db2.gz HREDNYWJGNPRFY-CVEARBPZSA-N 2 1 310.507 3.365 20 0 DGADMP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638447218 435032115 /nfs/dbraw/zinc/03/21/15/435032115.db2.gz HREDNYWJGNPRFY-CVEARBPZSA-N 2 1 310.507 3.365 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](CNCc3ccns3)C2)c1 ZINC000638447405 435032773 /nfs/dbraw/zinc/03/27/73/435032773.db2.gz JOKUYZYVIPCQLQ-CYBMUJFWSA-N 2 1 307.488 3.206 20 0 DGADMP c1csc(CN2CCC[C@H](C[NH2+]Cc3ccns3)C2)c1 ZINC000638447405 435032776 /nfs/dbraw/zinc/03/27/76/435032776.db2.gz JOKUYZYVIPCQLQ-CYBMUJFWSA-N 2 1 307.488 3.206 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000556051347 434992543 /nfs/dbraw/zinc/99/25/43/434992543.db2.gz WYXAPADFGVYRJZ-VAMGGRTRSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)[NH+](CC[NH2+]C[C@H]1CCN(c2ccccc2)C1)C(C)C ZINC000638279616 434995975 /nfs/dbraw/zinc/99/59/75/434995975.db2.gz PXRKDKRXRUUMPH-GOSISDBHSA-N 2 1 303.494 3.221 20 0 DGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638693491 435071766 /nfs/dbraw/zinc/07/17/66/435071766.db2.gz UJCCLINTOLYCKO-IEBWSBKVSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638693491 435071769 /nfs/dbraw/zinc/07/17/69/435071769.db2.gz UJCCLINTOLYCKO-IEBWSBKVSA-N 2 1 316.489 3.353 20 0 DGADMP Nc1c(F)cccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000638722183 435076320 /nfs/dbraw/zinc/07/63/20/435076320.db2.gz UJHPUOSQAAZKLT-UHFFFAOYSA-N 2 1 305.441 3.295 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000638723155 435078437 /nfs/dbraw/zinc/07/84/37/435078437.db2.gz YTAXJYIHKJWZPQ-VHBXLISGSA-N 2 1 316.489 3.444 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000638723155 435078439 /nfs/dbraw/zinc/07/84/39/435078439.db2.gz YTAXJYIHKJWZPQ-VHBXLISGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](O)CC[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638749820 435083121 /nfs/dbraw/zinc/08/31/21/435083121.db2.gz YHHRAXSLQNEQOW-XLIONFOSSA-N 2 1 318.505 3.285 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638766019 435086378 /nfs/dbraw/zinc/08/63/78/435086378.db2.gz NVUALDDUFNCRBY-YVWKXTFCSA-N 2 1 316.489 3.353 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638766019 435086383 /nfs/dbraw/zinc/08/63/83/435086383.db2.gz NVUALDDUFNCRBY-YVWKXTFCSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466273 435037421 /nfs/dbraw/zinc/03/74/21/435037421.db2.gz IITNVXAOUPZMOK-YVWKXTFCSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466273 435037426 /nfs/dbraw/zinc/03/74/26/435037426.db2.gz IITNVXAOUPZMOK-YVWKXTFCSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000556914844 435038015 /nfs/dbraw/zinc/03/80/15/435038015.db2.gz JYZAYCLOQKFICA-HSALFYBXSA-N 2 1 321.553 3.303 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000556923337 435039112 /nfs/dbraw/zinc/03/91/12/435039112.db2.gz LFVXJYDRHHBJBW-AZUAARDMSA-N 2 1 316.489 3.480 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000556923337 435039114 /nfs/dbraw/zinc/03/91/14/435039114.db2.gz LFVXJYDRHHBJBW-AZUAARDMSA-N 2 1 316.489 3.480 20 0 DGADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638477554 435040141 /nfs/dbraw/zinc/04/01/41/435040141.db2.gz LXYUANGEUQPPSC-QUCCMNQESA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638477554 435040143 /nfs/dbraw/zinc/04/01/43/435040143.db2.gz LXYUANGEUQPPSC-QUCCMNQESA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638477554 435040147 /nfs/dbraw/zinc/04/01/47/435040147.db2.gz LXYUANGEUQPPSC-QUCCMNQESA-N 2 1 315.505 3.284 20 0 DGADMP Cc1cnc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797367 435089977 /nfs/dbraw/zinc/08/99/77/435089977.db2.gz QFTVOAQURWDYNO-CRAIPNDOSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000638797367 435089978 /nfs/dbraw/zinc/08/99/78/435089978.db2.gz QFTVOAQURWDYNO-CRAIPNDOSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797367 435089981 /nfs/dbraw/zinc/08/99/81/435089981.db2.gz QFTVOAQURWDYNO-CRAIPNDOSA-N 2 1 313.445 3.373 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638791865 435090203 /nfs/dbraw/zinc/09/02/03/435090203.db2.gz WRHXUEMXXNVBSP-WSTZPKSXSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638791865 435090207 /nfs/dbraw/zinc/09/02/07/435090207.db2.gz WRHXUEMXXNVBSP-WSTZPKSXSA-N 2 1 314.473 3.105 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638581966 435054487 /nfs/dbraw/zinc/05/44/87/435054487.db2.gz IQKYDTNTRBTKSN-JQERWDHBSA-N 2 1 316.489 3.351 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638581966 435054491 /nfs/dbraw/zinc/05/44/91/435054491.db2.gz IQKYDTNTRBTKSN-JQERWDHBSA-N 2 1 316.489 3.351 20 0 DGADMP CCCC(CCC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532230906 435149080 /nfs/dbraw/zinc/14/90/80/435149080.db2.gz YWTBGWBVFCFXNK-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CCCC(CCC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532230906 435149084 /nfs/dbraw/zinc/14/90/84/435149084.db2.gz YWTBGWBVFCFXNK-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000558507183 435095937 /nfs/dbraw/zinc/09/59/37/435095937.db2.gz HVYBXKMQYIWLEN-VNQPRFMTSA-N 2 1 314.395 3.480 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676761 435108904 /nfs/dbraw/zinc/10/89/04/435108904.db2.gz DXIYLNYBIIWHBX-XJKCOSOUSA-N 2 1 312.404 3.149 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)C(C)C ZINC000531682541 435110321 /nfs/dbraw/zinc/11/03/21/435110321.db2.gz PMGKPKBGDMYZLW-FQEVSTJZSA-N 2 1 317.521 3.348 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2COC(C)C)[C@@H](C)C1 ZINC000531700250 435110704 /nfs/dbraw/zinc/11/07/04/435110704.db2.gz ZOFJNMYEDDDQEY-LPHOPBHVSA-N 2 1 304.478 3.432 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531716098 435113917 /nfs/dbraw/zinc/11/39/17/435113917.db2.gz FMLJVIGBACQONB-RDTXWAMCSA-N 2 1 322.880 3.010 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000531724464 435115359 /nfs/dbraw/zinc/11/53/59/435115359.db2.gz YYHQYWWWWDLTCQ-YESZJQIVSA-N 2 1 317.477 3.093 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000531724464 435115363 /nfs/dbraw/zinc/11/53/63/435115363.db2.gz YYHQYWWWWDLTCQ-YESZJQIVSA-N 2 1 317.477 3.093 20 0 DGADMP CC(C)CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000558968820 435118086 /nfs/dbraw/zinc/11/80/86/435118086.db2.gz MFOGWLZZRNJPTK-IBGZPJMESA-N 2 1 309.542 3.064 20 0 DGADMP CCc1cccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000578993697 435123789 /nfs/dbraw/zinc/12/37/89/435123789.db2.gz XYAQZGSRQDXBKH-UHFFFAOYSA-N 2 1 304.478 3.228 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469085827 435129103 /nfs/dbraw/zinc/12/91/03/435129103.db2.gz QIYBYOMRKQXWDN-IHPCNDPISA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469085827 435129107 /nfs/dbraw/zinc/12/91/07/435129107.db2.gz QIYBYOMRKQXWDN-IHPCNDPISA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469085827 435129110 /nfs/dbraw/zinc/12/91/10/435129110.db2.gz QIYBYOMRKQXWDN-IHPCNDPISA-N 2 1 321.553 3.351 20 0 DGADMP CC1(C)CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976497 435130593 /nfs/dbraw/zinc/13/05/93/435130593.db2.gz PYZGMHIMZVIMAY-UYAOXDASSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976497 435130599 /nfs/dbraw/zinc/13/05/99/435130599.db2.gz PYZGMHIMZVIMAY-UYAOXDASSA-N 2 1 316.489 3.182 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000531995029 435133966 /nfs/dbraw/zinc/13/39/66/435133966.db2.gz RQONQQDQURUNKZ-WBAXXEDZSA-N 2 1 323.912 3.263 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531995029 435133968 /nfs/dbraw/zinc/13/39/68/435133968.db2.gz RQONQQDQURUNKZ-WBAXXEDZSA-N 2 1 323.912 3.263 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531995029 435133972 /nfs/dbraw/zinc/13/39/72/435133972.db2.gz RQONQQDQURUNKZ-WBAXXEDZSA-N 2 1 323.912 3.263 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559774528 435138366 /nfs/dbraw/zinc/13/83/66/435138366.db2.gz RJQPCWOCIZBJJK-HKBOAZHASA-N 2 1 324.468 3.188 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559774528 435138370 /nfs/dbraw/zinc/13/83/70/435138370.db2.gz RJQPCWOCIZBJJK-HKBOAZHASA-N 2 1 324.468 3.188 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559788957 435138448 /nfs/dbraw/zinc/13/84/48/435138448.db2.gz KMILBGXQTGCILA-CGHHPOIWSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559788957 435138452 /nfs/dbraw/zinc/13/84/52/435138452.db2.gz KMILBGXQTGCILA-CGHHPOIWSA-N 2 1 302.462 3.368 20 0 DGADMP OC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639059800 435139661 /nfs/dbraw/zinc/13/96/61/435139661.db2.gz BYLKHQQTXJAOBQ-CAOKTKFFSA-N 2 1 314.473 3.248 20 0 DGADMP OC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639059800 435139664 /nfs/dbraw/zinc/13/96/64/435139664.db2.gz BYLKHQQTXJAOBQ-CAOKTKFFSA-N 2 1 314.473 3.248 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000559896285 435140636 /nfs/dbraw/zinc/14/06/36/435140636.db2.gz YRZZXPWJZCCNNV-MSOLQXFVSA-N 2 1 320.525 3.398 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000559896285 435140639 /nfs/dbraw/zinc/14/06/39/435140639.db2.gz YRZZXPWJZCCNNV-MSOLQXFVSA-N 2 1 320.525 3.398 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCCOC1 ZINC000472351935 435141290 /nfs/dbraw/zinc/14/12/90/435141290.db2.gz XQKPYFPSDMHNBN-AABGKKOBSA-N 2 1 316.489 3.085 20 0 DGADMP OCCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639074852 435144975 /nfs/dbraw/zinc/14/49/75/435144975.db2.gz CTHFCLIPQZLAFT-PKOBYXMFSA-N 2 1 314.473 3.107 20 0 DGADMP OCCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639074852 435144982 /nfs/dbraw/zinc/14/49/82/435144982.db2.gz CTHFCLIPQZLAFT-PKOBYXMFSA-N 2 1 314.473 3.107 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178727 435187612 /nfs/dbraw/zinc/18/76/12/435187612.db2.gz NYGPIPDGHAQDKX-YGRLFVJLSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178727 435187617 /nfs/dbraw/zinc/18/76/17/435187617.db2.gz NYGPIPDGHAQDKX-YGRLFVJLSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178727 435187620 /nfs/dbraw/zinc/18/76/20/435187620.db2.gz NYGPIPDGHAQDKX-YGRLFVJLSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178727 435187622 /nfs/dbraw/zinc/18/76/22/435187622.db2.gz NYGPIPDGHAQDKX-YGRLFVJLSA-N 2 1 316.276 3.348 20 0 DGADMP CC(C)c1nc(CNCC[N@H+]2CCCC[C@@H]2C)c2ccccn21 ZINC000579959923 435194832 /nfs/dbraw/zinc/19/48/32/435194832.db2.gz MJKPVBPWNRVMTR-INIZCTEOSA-N 2 1 314.477 3.422 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCCC[C@@H]2C)c2ccccn21 ZINC000579959923 435194842 /nfs/dbraw/zinc/19/48/42/435194842.db2.gz MJKPVBPWNRVMTR-INIZCTEOSA-N 2 1 314.477 3.422 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639220525 435203319 /nfs/dbraw/zinc/20/33/19/435203319.db2.gz DLMXCVNJWNCZJO-KPFFTGBYSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639220525 435203322 /nfs/dbraw/zinc/20/33/22/435203322.db2.gz DLMXCVNJWNCZJO-KPFFTGBYSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560265024 435157716 /nfs/dbraw/zinc/15/77/16/435157716.db2.gz MJSVOQZBFSKXJC-DNVCBOLYSA-N 2 1 302.462 3.438 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC000639118188 435161296 /nfs/dbraw/zinc/16/12/96/435161296.db2.gz OJVARPQPBVHBLO-OALUTQOASA-N 2 1 304.478 3.159 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([N@H+](C)CCC[NH+]1CCCC1)CC2 ZINC000639132731 435168028 /nfs/dbraw/zinc/16/80/28/435168028.db2.gz SYDCQFAYGFWOSG-KRWDZBQOSA-N 2 1 318.461 3.109 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)CCC[NH+]1CCCC1)CC2 ZINC000639132731 435168030 /nfs/dbraw/zinc/16/80/30/435168030.db2.gz SYDCQFAYGFWOSG-KRWDZBQOSA-N 2 1 318.461 3.109 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000532479743 435170421 /nfs/dbraw/zinc/17/04/21/435170421.db2.gz OCHWVFHBNRHBRD-QAPCUYQASA-N 2 1 304.478 3.091 20 0 DGADMP C[C@@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560533491 435175243 /nfs/dbraw/zinc/17/52/43/435175243.db2.gz KTKGGKGRIMXINL-VBSBHUPXSA-N 2 1 316.489 3.038 20 0 DGADMP CCOCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560532148 435175501 /nfs/dbraw/zinc/17/55/01/435175501.db2.gz OYESBHNXLKYCQZ-XUVXKRRUSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000639170323 435181859 /nfs/dbraw/zinc/18/18/59/435181859.db2.gz SXDKPCZHTAPYLH-HKUYNNGSSA-N 2 1 304.478 3.473 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000639169915 435182174 /nfs/dbraw/zinc/18/21/74/435182174.db2.gz MWKFTOQUPDWWGF-PBHICJAKSA-N 2 1 318.461 3.011 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(F)c1N ZINC000639177245 435182837 /nfs/dbraw/zinc/18/28/37/435182837.db2.gz QTZIHGXDDYSUPD-UHFFFAOYSA-N 2 1 304.413 3.079 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(F)c1N ZINC000639177245 435182840 /nfs/dbraw/zinc/18/28/40/435182840.db2.gz QTZIHGXDDYSUPD-UHFFFAOYSA-N 2 1 304.413 3.079 20 0 DGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639273632 435225029 /nfs/dbraw/zinc/22/50/29/435225029.db2.gz XNQWCWGSGMMJKC-IEBWSBKVSA-N 2 1 313.489 3.038 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639238362 435209546 /nfs/dbraw/zinc/20/95/46/435209546.db2.gz KIQKGKHXQLZFPY-ZULIPRJHSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639238362 435209552 /nfs/dbraw/zinc/20/95/52/435209552.db2.gz KIQKGKHXQLZFPY-ZULIPRJHSA-N 2 1 314.473 3.105 20 0 DGADMP CCC[C@@H](C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1)OC ZINC000639241721 435210729 /nfs/dbraw/zinc/21/07/29/435210729.db2.gz HSCNGYYHZDYBMU-AWEZNQCLSA-N 2 1 310.404 3.150 20 0 DGADMP CCC(CC)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533106350 435211429 /nfs/dbraw/zinc/21/14/29/435211429.db2.gz KWHFFWLPPRNOKC-MRXNPFEDSA-N 2 1 309.523 3.062 20 0 DGADMP CC[N@@H+](CCC[NH2+]C1CC(n2cccn2)C1)C1CCCCC1 ZINC000639291710 435231293 /nfs/dbraw/zinc/23/12/93/435231293.db2.gz STCIWAYBBPMJPA-UHFFFAOYSA-N 2 1 304.482 3.221 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C1CCCCC1 ZINC000639292021 435231478 /nfs/dbraw/zinc/23/14/78/435231478.db2.gz YEAVHXYKHVGBPW-IRXDYDNUSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)(C)[C@]1(C[NH2+]C/C=C/CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000639307549 435239126 /nfs/dbraw/zinc/23/91/26/435239126.db2.gz BCFXVIRLZYZOSH-DUIUGDAFSA-N 2 1 316.489 3.063 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311427 435239596 /nfs/dbraw/zinc/23/95/96/435239596.db2.gz SMGBMFKCSWLDFH-IEZWGBDMSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311427 435239601 /nfs/dbraw/zinc/23/96/01/435239601.db2.gz SMGBMFKCSWLDFH-IEZWGBDMSA-N 2 1 314.473 3.105 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639347594 435258895 /nfs/dbraw/zinc/25/88/95/435258895.db2.gz OSRWNAIXCJFCIC-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639347594 435258899 /nfs/dbraw/zinc/25/88/99/435258899.db2.gz OSRWNAIXCJFCIC-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP CC(C)(C)[C@]1(C[NH2+]CC2COC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639354517 435260482 /nfs/dbraw/zinc/26/04/82/435260482.db2.gz IPLGFIQAHOBXSH-FQEVSTJZSA-N 2 1 316.489 3.161 20 0 DGADMP C[N@H+](Cc1cc2cc(Cl)cnc2o1)CC1CC[NH+](C)CC1 ZINC000648367977 435278154 /nfs/dbraw/zinc/27/81/54/435278154.db2.gz BIOWNDRLWSRPRB-UHFFFAOYSA-N 2 1 307.825 3.255 20 0 DGADMP COCc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000534347185 435282378 /nfs/dbraw/zinc/28/23/78/435282378.db2.gz UJXQQNPMABNGLY-UHFFFAOYSA-N 2 1 304.478 3.385 20 0 DGADMP Cc1nc2ccc(C[N@H+](C)[C@@H]3CN4CCC3CC4)cc2s1 ZINC000639396930 435284689 /nfs/dbraw/zinc/28/46/89/435284689.db2.gz MDFQZVVKVFAUAH-MRXNPFEDSA-N 2 1 301.459 3.131 20 0 DGADMP Cc1nc2ccc(CN(C)[C@@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000639396930 435284695 /nfs/dbraw/zinc/28/46/95/435284695.db2.gz MDFQZVVKVFAUAH-MRXNPFEDSA-N 2 1 301.459 3.131 20 0 DGADMP C[N@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1CN2CCC1CC2 ZINC000639396863 435286218 /nfs/dbraw/zinc/28/62/18/435286218.db2.gz KRIPCMACRZYMAN-KRWDZBQOSA-N 2 1 313.470 3.336 20 0 DGADMP C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1CN2CCC1CC2 ZINC000639396863 435286222 /nfs/dbraw/zinc/28/62/22/435286222.db2.gz KRIPCMACRZYMAN-KRWDZBQOSA-N 2 1 313.470 3.336 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000584319569 435289885 /nfs/dbraw/zinc/28/98/85/435289885.db2.gz HKZHCFHCHIPKOC-PMACEKPBSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000584319569 435289890 /nfs/dbraw/zinc/28/98/90/435289890.db2.gz HKZHCFHCHIPKOC-PMACEKPBSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000584319569 435289894 /nfs/dbraw/zinc/28/98/94/435289894.db2.gz HKZHCFHCHIPKOC-PMACEKPBSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000584319569 435289900 /nfs/dbraw/zinc/28/99/00/435289900.db2.gz HKZHCFHCHIPKOC-PMACEKPBSA-N 2 1 316.489 3.367 20 0 DGADMP CC[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000567201407 435296128 /nfs/dbraw/zinc/29/61/28/435296128.db2.gz VLYIRCBXTNZXEM-SFHVURJKSA-N 2 1 317.521 3.138 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000534799067 435301873 /nfs/dbraw/zinc/30/18/73/435301873.db2.gz DZZVEZGQPXDJSW-RCCFBDPRSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000534799067 435301874 /nfs/dbraw/zinc/30/18/74/435301874.db2.gz DZZVEZGQPXDJSW-RCCFBDPRSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC1(F)F ZINC000639359694 435262045 /nfs/dbraw/zinc/26/20/45/435262045.db2.gz PGCDWAVDGPPRNW-TXCZRRACSA-N 2 1 308.416 3.388 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000639358716 435262978 /nfs/dbraw/zinc/26/29/78/435262978.db2.gz AEFRKROTXOJXFU-NZSAHSFTSA-N 2 1 304.478 3.159 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CCOC)c2ccccc2)C1 ZINC000535279754 435326387 /nfs/dbraw/zinc/32/63/87/435326387.db2.gz DSNRAHUFPSLHRC-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000535279754 435326393 /nfs/dbraw/zinc/32/63/93/435326393.db2.gz DSNRAHUFPSLHRC-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000535279754 435326397 /nfs/dbraw/zinc/32/63/97/435326397.db2.gz DSNRAHUFPSLHRC-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000643456340 435328518 /nfs/dbraw/zinc/32/85/18/435328518.db2.gz QKQMGOWUZOZCBZ-LSDHHAIUSA-N 2 1 316.367 3.125 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C)[NH3+])CCC3)cc1 ZINC000643526855 435344248 /nfs/dbraw/zinc/34/42/48/435344248.db2.gz ATVNWFNPOUXOGN-GXTWGEPZSA-N 2 1 301.459 3.433 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](C)[NH3+])CCC3)cc1 ZINC000643529037 435345082 /nfs/dbraw/zinc/34/50/82/435345082.db2.gz TVJHITGEWVWXMD-BXUZGUMPSA-N 2 1 317.458 3.133 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3cccnc32)C2CC3CC(C2)CC1C3 ZINC000643544893 435348994 /nfs/dbraw/zinc/34/89/94/435348994.db2.gz MMDVHUIKTPYPLW-BFRPXFFUSA-N 2 1 311.473 3.202 20 0 DGADMP Cc1ccc(C)c([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000479699762 435349136 /nfs/dbraw/zinc/34/91/36/435349136.db2.gz LIAWYVXCQKIDCV-YLJYHZDGSA-N 2 1 316.489 3.455 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C2CCCC2)c1 ZINC000643547341 435349152 /nfs/dbraw/zinc/34/91/52/435349152.db2.gz DBJQSIBBMRNVCZ-GOEBONIOSA-N 2 1 302.466 3.324 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546594 435349867 /nfs/dbraw/zinc/34/98/67/435349867.db2.gz RNEIHLVPALYBBR-GOEBONIOSA-N 2 1 304.409 3.304 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCS2 ZINC000643547477 435349874 /nfs/dbraw/zinc/34/98/74/435349874.db2.gz FZMFQJMQKYSHEA-CJNGLKHVSA-N 2 1 318.486 3.496 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000608054894 435350240 /nfs/dbraw/zinc/35/02/40/435350240.db2.gz UQMXDASVYVQOQV-OAHLLOKOSA-N 2 1 312.404 3.150 20 0 DGADMP CCCCOCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237571 435350600 /nfs/dbraw/zinc/35/06/00/435350600.db2.gz TWGDIYNNXMTDAU-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP CCCCOCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237571 435350606 /nfs/dbraw/zinc/35/06/06/435350606.db2.gz TWGDIYNNXMTDAU-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP CCCCOCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237571 435350612 /nfs/dbraw/zinc/35/06/12/435350612.db2.gz TWGDIYNNXMTDAU-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1 ZINC000643548596 435352179 /nfs/dbraw/zinc/35/21/79/435352179.db2.gz ROMJMQIGQJYPKF-HOTGVXAUSA-N 2 1 308.853 3.292 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587603 435352957 /nfs/dbraw/zinc/35/29/57/435352957.db2.gz SDEGNHMRCNXMSZ-ABAIWWIYSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587603 435352961 /nfs/dbraw/zinc/35/29/61/435352961.db2.gz SDEGNHMRCNXMSZ-ABAIWWIYSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587603 435352966 /nfs/dbraw/zinc/35/29/66/435352966.db2.gz SDEGNHMRCNXMSZ-ABAIWWIYSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587603 435352973 /nfs/dbraw/zinc/35/29/73/435352973.db2.gz SDEGNHMRCNXMSZ-ABAIWWIYSA-N 2 1 307.825 3.253 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000535810041 435357959 /nfs/dbraw/zinc/35/79/59/435357959.db2.gz XDSRZAGXISLUQD-VAMGGRTRSA-N 2 1 316.489 3.494 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000567865700 435362127 /nfs/dbraw/zinc/36/21/27/435362127.db2.gz CPGPBYUPVMNBKN-UHFFFAOYSA-N 2 1 314.477 3.010 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000567865700 435362131 /nfs/dbraw/zinc/36/21/31/435362131.db2.gz CPGPBYUPVMNBKN-UHFFFAOYSA-N 2 1 314.477 3.010 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000535052885 435312776 /nfs/dbraw/zinc/31/27/76/435312776.db2.gz SDPNSWCKHCXROH-MSOLQXFVSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000535052885 435312778 /nfs/dbraw/zinc/31/27/78/435312778.db2.gz SDPNSWCKHCXROH-MSOLQXFVSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000535052885 435312782 /nfs/dbraw/zinc/31/27/82/435312782.db2.gz SDPNSWCKHCXROH-MSOLQXFVSA-N 2 1 302.462 3.186 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC2=Cc3ccccc3OC2)C1 ZINC000536697140 435406005 /nfs/dbraw/zinc/40/60/05/435406005.db2.gz FBJSMAMUCGBMTJ-QGZVFWFLSA-N 2 1 312.457 3.126 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000536697140 435406011 /nfs/dbraw/zinc/40/60/11/435406011.db2.gz FBJSMAMUCGBMTJ-QGZVFWFLSA-N 2 1 312.457 3.126 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000536697140 435406019 /nfs/dbraw/zinc/40/60/19/435406019.db2.gz FBJSMAMUCGBMTJ-QGZVFWFLSA-N 2 1 312.457 3.126 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000536697140 435406027 /nfs/dbraw/zinc/40/60/27/435406027.db2.gz FBJSMAMUCGBMTJ-QGZVFWFLSA-N 2 1 312.457 3.126 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000536697140 435406034 /nfs/dbraw/zinc/40/60/34/435406034.db2.gz FBJSMAMUCGBMTJ-QGZVFWFLSA-N 2 1 312.457 3.126 20 0 DGADMP C[C@@H](CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)OCc1ccccc1 ZINC000639756276 435409074 /nfs/dbraw/zinc/40/90/74/435409074.db2.gz UOFMGRGTARSAOF-SFHVURJKSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)CC1 ZINC000639759797 435409405 /nfs/dbraw/zinc/40/94/05/435409405.db2.gz JVKNOBDNGYOAHZ-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCSc3ccccc3F)C2)CC1 ZINC000639759687 435410087 /nfs/dbraw/zinc/41/00/87/435410087.db2.gz GQTHIUGKPOQYOP-UHFFFAOYSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Br)cc3)C2)CC1 ZINC000639756299 435410563 /nfs/dbraw/zinc/41/05/63/435410563.db2.gz UWMFZQNXRLPZAB-UHFFFAOYSA-N 2 1 323.278 3.367 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000568237822 435410634 /nfs/dbraw/zinc/41/06/34/435410634.db2.gz HBOWKCTWYABZBS-RHSMWYFYSA-N 2 1 317.433 3.294 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000536909880 435418221 /nfs/dbraw/zinc/41/82/21/435418221.db2.gz LQMJHIJWRLTSET-TZMCWYRMSA-N 2 1 316.367 3.058 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095976 435377397 /nfs/dbraw/zinc/37/73/97/435377397.db2.gz ROXKDAFVYQMFHF-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095976 435377400 /nfs/dbraw/zinc/37/74/00/435377400.db2.gz ROXKDAFVYQMFHF-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513095976 435377403 /nfs/dbraw/zinc/37/74/03/435377403.db2.gz ROXKDAFVYQMFHF-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513095976 435377406 /nfs/dbraw/zinc/37/74/06/435377406.db2.gz ROXKDAFVYQMFHF-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513239066 435382496 /nfs/dbraw/zinc/38/24/96/435382496.db2.gz UBNJFOOVCBNFOG-LSTHTHJFSA-N 2 1 318.505 3.426 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513239066 435382500 /nfs/dbraw/zinc/38/25/00/435382500.db2.gz UBNJFOOVCBNFOG-LSTHTHJFSA-N 2 1 318.505 3.426 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)c1 ZINC000536477013 435383015 /nfs/dbraw/zinc/38/30/15/435383015.db2.gz XZOVDQSKUURYDD-GOSISDBHSA-N 2 1 313.445 3.297 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)c1 ZINC000536477013 435383022 /nfs/dbraw/zinc/38/30/22/435383022.db2.gz XZOVDQSKUURYDD-GOSISDBHSA-N 2 1 313.445 3.297 20 0 DGADMP c1ccc(OC2CC2)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682866 435390920 /nfs/dbraw/zinc/39/09/20/435390920.db2.gz BSQLNLIRANYLBY-UHFFFAOYSA-N 2 1 323.440 3.335 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000513510893 435391875 /nfs/dbraw/zinc/39/18/75/435391875.db2.gz GIFGPSMGTBCCDQ-IEBWSBKVSA-N 2 1 314.473 3.223 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C2CC2)c1 ZINC000513488380 435392872 /nfs/dbraw/zinc/39/28/72/435392872.db2.gz TZCPPEMZFNYJIU-LJQANCHMSA-N 2 1 304.478 3.336 20 0 DGADMP CC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000480792956 435396404 /nfs/dbraw/zinc/39/64/04/435396404.db2.gz CVEFFIMKZHYCLR-PMACEKPBSA-N 2 1 315.505 3.143 20 0 DGADMP COc1cccc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000568168498 435398569 /nfs/dbraw/zinc/39/85/69/435398569.db2.gz JMZTXSHSLZCDIX-UHFFFAOYSA-N 2 1 313.445 3.241 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCCC[C@H]1C ZINC000482163634 435454712 /nfs/dbraw/zinc/45/47/12/435454712.db2.gz LQGANLPHJNPQIW-IAGOWNOFSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCCC[C@H]1C ZINC000482163634 435454717 /nfs/dbraw/zinc/45/47/17/435454717.db2.gz LQGANLPHJNPQIW-IAGOWNOFSA-N 2 1 316.489 3.407 20 0 DGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482566334 435471530 /nfs/dbraw/zinc/47/15/30/435471530.db2.gz MMRBBBWRWWCGGL-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H](COC)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537939909 435474725 /nfs/dbraw/zinc/47/47/25/435474725.db2.gz KZLYLAUPEJDYKJ-BHIYHBOVSA-N 2 1 304.478 3.302 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537944800 435476594 /nfs/dbraw/zinc/47/65/94/435476594.db2.gz ODUTXRLIFQYQOP-IMBTUZDBSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000482686999 435479163 /nfs/dbraw/zinc/47/91/63/435479163.db2.gz XEZATWSHCUAURB-RTBURBONSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000482693409 435479747 /nfs/dbraw/zinc/47/97/47/435479747.db2.gz OXRCQBVYOQHBSN-MJGOQNOKSA-N 2 1 311.473 3.415 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639871659 435442027 /nfs/dbraw/zinc/44/20/27/435442027.db2.gz ZLYQQQLBGZCTCQ-QGZVFWFLSA-N 2 1 305.441 3.275 20 0 DGADMP CN(CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000514858182 435442896 /nfs/dbraw/zinc/44/28/96/435442896.db2.gz FJCRUGWCAQSDAD-LJQANCHMSA-N 2 1 315.505 3.177 20 0 DGADMP CN(CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000514858182 435442902 /nfs/dbraw/zinc/44/29/02/435442902.db2.gz FJCRUGWCAQSDAD-LJQANCHMSA-N 2 1 315.505 3.177 20 0 DGADMP CN(CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000514858182 435442907 /nfs/dbraw/zinc/44/29/07/435442907.db2.gz FJCRUGWCAQSDAD-LJQANCHMSA-N 2 1 315.505 3.177 20 0 DGADMP COC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000483251652 435506621 /nfs/dbraw/zinc/50/66/21/435506621.db2.gz SPLLBCYQEXJMCO-FUHWJXTLSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000483251652 435506625 /nfs/dbraw/zinc/50/66/25/435506625.db2.gz SPLLBCYQEXJMCO-FUHWJXTLSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000483251652 435506628 /nfs/dbraw/zinc/50/66/28/435506628.db2.gz SPLLBCYQEXJMCO-FUHWJXTLSA-N 2 1 306.494 3.284 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063102 435507299 /nfs/dbraw/zinc/50/72/99/435507299.db2.gz UUXYPYUSXJWEKQ-TZMCWYRMSA-N 2 1 303.406 3.058 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063102 435507301 /nfs/dbraw/zinc/50/73/01/435507301.db2.gz UUXYPYUSXJWEKQ-TZMCWYRMSA-N 2 1 303.406 3.058 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063101 435507484 /nfs/dbraw/zinc/50/74/84/435507484.db2.gz UUXYPYUSXJWEKQ-OCCSQVGLSA-N 2 1 303.406 3.058 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063101 435507488 /nfs/dbraw/zinc/50/74/88/435507488.db2.gz UUXYPYUSXJWEKQ-OCCSQVGLSA-N 2 1 303.406 3.058 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H](c2ccccc2)C1 ZINC000569213967 435513754 /nfs/dbraw/zinc/51/37/54/435513754.db2.gz JKRWHDLBMGEUKA-TXJVSEOTSA-N 2 1 316.489 3.004 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H](c2ccccc2)C1 ZINC000569213967 435513758 /nfs/dbraw/zinc/51/37/58/435513758.db2.gz JKRWHDLBMGEUKA-TXJVSEOTSA-N 2 1 316.489 3.004 20 0 DGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000538760293 435520455 /nfs/dbraw/zinc/52/04/55/435520455.db2.gz CISRUJAKHQXKEP-UHOSZYNNSA-N 2 1 309.542 3.064 20 0 DGADMP CC(C)c1nc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccn21 ZINC000516301959 435527153 /nfs/dbraw/zinc/52/71/53/435527153.db2.gz XIDHRMFRBSLSIZ-MQVJKMGUSA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)c1[nH+]c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccn21 ZINC000516301959 435527157 /nfs/dbraw/zinc/52/71/57/435527157.db2.gz XIDHRMFRBSLSIZ-MQVJKMGUSA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)c1[nH+]c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccn21 ZINC000516301959 435527160 /nfs/dbraw/zinc/52/71/60/435527160.db2.gz XIDHRMFRBSLSIZ-MQVJKMGUSA-N 2 1 312.461 3.173 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000539091984 435536941 /nfs/dbraw/zinc/53/69/41/435536941.db2.gz LXDWMZHGCNZOOY-AAEUAGOBSA-N 2 1 317.260 3.302 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663864 435481476 /nfs/dbraw/zinc/48/14/76/435481476.db2.gz ZSRJANJKVHNAEB-MOPGFXCFSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663864 435481482 /nfs/dbraw/zinc/48/14/82/435481482.db2.gz ZSRJANJKVHNAEB-MOPGFXCFSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663869 435482095 /nfs/dbraw/zinc/48/20/95/435482095.db2.gz ZSRJANJKVHNAEB-RTBURBONSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663869 435482099 /nfs/dbraw/zinc/48/20/99/435482099.db2.gz ZSRJANJKVHNAEB-RTBURBONSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000482888839 435485806 /nfs/dbraw/zinc/48/58/06/435485806.db2.gz LIAPLFVDMLFSOC-RBUKOAKNSA-N 2 1 318.505 3.355 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000568985112 435489259 /nfs/dbraw/zinc/48/92/59/435489259.db2.gz ZXPQAFGGENKOJY-OXJNMPFZSA-N 3 1 315.505 3.278 20 0 DGADMP CCN(CCC[NH+]1CCC(CC)([NH+](C)C)CC1)CC(F)(F)F ZINC000640016681 435491273 /nfs/dbraw/zinc/49/12/73/435491273.db2.gz AQCYKDNNAWFRHE-UHFFFAOYSA-N 2 1 323.447 3.067 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2c(C)cccc2C)C1 ZINC000484917253 435557164 /nfs/dbraw/zinc/55/71/64/435557164.db2.gz HCBKIZFZMKDRJW-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2c(C)cccc2C)C1 ZINC000484917253 435557166 /nfs/dbraw/zinc/55/71/66/435557166.db2.gz HCBKIZFZMKDRJW-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000484917253 435557168 /nfs/dbraw/zinc/55/71/68/435557168.db2.gz HCBKIZFZMKDRJW-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000484917253 435557172 /nfs/dbraw/zinc/55/71/72/435557172.db2.gz HCBKIZFZMKDRJW-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645091376 435565519 /nfs/dbraw/zinc/56/55/19/435565519.db2.gz XVJIOIZIWYUSSL-UHFFFAOYSA-N 2 1 324.472 3.485 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000649407775 435580542 /nfs/dbraw/zinc/58/05/42/435580542.db2.gz UFWYPIWTAJJXRC-IPMKNSEASA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000649407775 435580546 /nfs/dbraw/zinc/58/05/46/435580546.db2.gz UFWYPIWTAJJXRC-IPMKNSEASA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539077767 435537263 /nfs/dbraw/zinc/53/72/63/435537263.db2.gz AVMIIYPVVWGBDS-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000569544084 435540107 /nfs/dbraw/zinc/54/01/07/435540107.db2.gz ZKOHSNUCDAYKIL-MNZLEMJZSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320751 435608519 /nfs/dbraw/zinc/60/85/19/435608519.db2.gz XOOILYOBXZYKFQ-MORSLUCNSA-N 2 1 324.896 3.472 20 0 DGADMP CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320751 435608522 /nfs/dbraw/zinc/60/85/22/435608522.db2.gz XOOILYOBXZYKFQ-MORSLUCNSA-N 2 1 324.896 3.472 20 0 DGADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000649508826 435612017 /nfs/dbraw/zinc/61/20/17/435612017.db2.gz GKWSKHOGTQDPJQ-IPMKNSEASA-N 2 1 308.510 3.126 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000645397893 435635576 /nfs/dbraw/zinc/63/55/76/435635576.db2.gz HYZBGTLXXYLQJP-SXLOBPIMSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc2ccccc2n1 ZINC000640535030 435597857 /nfs/dbraw/zinc/59/78/57/435597857.db2.gz YUFKRCWYFCMGCJ-UHFFFAOYSA-N 2 1 312.461 3.328 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000649650832 435657266 /nfs/dbraw/zinc/65/72/66/435657266.db2.gz NEPBCLZDMCAVBU-UHFFFAOYSA-N 2 1 305.466 3.002 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000571069871 435673293 /nfs/dbraw/zinc/67/32/93/435673293.db2.gz OKWQBXBRSUCTLT-UWVFGXKGSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000571069871 435673300 /nfs/dbraw/zinc/67/33/00/435673300.db2.gz OKWQBXBRSUCTLT-UWVFGXKGSA-N 2 1 308.510 3.434 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@H]12 ZINC000519400911 435681497 /nfs/dbraw/zinc/68/14/97/435681497.db2.gz WONOXCMTZSUWSY-CWRNSKLLSA-N 2 1 305.491 3.360 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(C4CCCCC4)s3)C[C@H]12 ZINC000519400911 435681502 /nfs/dbraw/zinc/68/15/02/435681502.db2.gz WONOXCMTZSUWSY-CWRNSKLLSA-N 2 1 305.491 3.360 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000571175720 435683913 /nfs/dbraw/zinc/68/39/13/435683913.db2.gz KXHAMSJBMYMOQE-NVXWUHKLSA-N 2 1 312.461 3.307 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000571175720 435683917 /nfs/dbraw/zinc/68/39/17/435683917.db2.gz KXHAMSJBMYMOQE-NVXWUHKLSA-N 2 1 312.461 3.307 20 0 DGADMP C[N@H+](CCC[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000645828278 435701171 /nfs/dbraw/zinc/70/11/71/435701171.db2.gz JRRPZQXSUQZZRF-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](CCC[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000645828278 435701174 /nfs/dbraw/zinc/70/11/74/435701174.db2.gz JRRPZQXSUQZZRF-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000519713274 435703337 /nfs/dbraw/zinc/70/33/37/435703337.db2.gz PBCKIAYTGGAVHX-GOSISDBHSA-N 2 1 309.542 3.303 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660415986 435731944 /nfs/dbraw/zinc/73/19/44/435731944.db2.gz CBCQCRCLWRHCEE-HDICACEKSA-N 2 1 320.525 3.135 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660415986 435731950 /nfs/dbraw/zinc/73/19/50/435731950.db2.gz CBCQCRCLWRHCEE-HDICACEKSA-N 2 1 320.525 3.135 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)CCCC2)CC1 ZINC000549040874 435734981 /nfs/dbraw/zinc/73/49/81/435734981.db2.gz JVIHJNYTAWEQOB-JQHSSLGASA-N 2 1 306.494 3.188 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)c2ccccc21 ZINC000571789049 435737623 /nfs/dbraw/zinc/73/76/23/435737623.db2.gz GKGNONWSYYFCHD-VQTJNVASSA-N 2 1 318.424 3.166 20 0 DGADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655708130 435740978 /nfs/dbraw/zinc/74/09/78/435740978.db2.gz DWYBKUPYNGWWRH-IBGZPJMESA-N 2 1 316.489 3.116 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000655715713 435743361 /nfs/dbraw/zinc/74/33/61/435743361.db2.gz NFDDRYYJUJBQCK-INIZCTEOSA-N 2 1 322.518 3.259 20 0 DGADMP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655716454 435746911 /nfs/dbraw/zinc/74/69/11/435746911.db2.gz XYRKXUVMHJKCLB-XLIONFOSSA-N 2 1 316.489 3.332 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](C/C=C/C[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907486 435748482 /nfs/dbraw/zinc/74/84/82/435748482.db2.gz SNRUFUCNVLFFFT-CZMZKRSCSA-N 2 1 318.358 3.005 20 0 DGADMP FC1(F)C[C@@]12CC[N@@H+](C/C=C/C[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907486 435748489 /nfs/dbraw/zinc/74/84/89/435748489.db2.gz SNRUFUCNVLFFFT-CZMZKRSCSA-N 2 1 318.358 3.005 20 0 DGADMP FC1(F)C[C@@]12CC[N@H+](C/C=C/C[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907486 435748495 /nfs/dbraw/zinc/74/84/95/435748495.db2.gz SNRUFUCNVLFFFT-CZMZKRSCSA-N 2 1 318.358 3.005 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000655722040 435751831 /nfs/dbraw/zinc/75/18/31/435751831.db2.gz VKOQHIRUBIEBDX-CYBMUJFWSA-N 2 1 320.868 3.264 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1nsc2ccccc21 ZINC000660465303 435763419 /nfs/dbraw/zinc/76/34/19/435763419.db2.gz XLFINJOMAXMMKB-UHFFFAOYSA-N 2 1 303.475 3.257 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1nsc2ccccc21 ZINC000660465303 435763426 /nfs/dbraw/zinc/76/34/26/435763426.db2.gz XLFINJOMAXMMKB-UHFFFAOYSA-N 2 1 303.475 3.257 20 0 DGADMP Nc1cccc2c1ccnc2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678145 435761091 /nfs/dbraw/zinc/76/10/91/435761091.db2.gz MUUOXBFXKKUKFD-OAHLLOKOSA-N 2 1 310.445 3.351 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000655774427 435789174 /nfs/dbraw/zinc/78/91/74/435789174.db2.gz BFXAOGOWLBPIET-VUHPKUFZSA-N 2 1 308.510 3.434 20 0 DGADMP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655774020 435789433 /nfs/dbraw/zinc/78/94/33/435789433.db2.gz NXYBMTZYENPABJ-FUHWJXTLSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1=CCCC1 ZINC000655775138 435790344 /nfs/dbraw/zinc/79/03/44/435790344.db2.gz PTDBUBZWKOZBLU-GOSISDBHSA-N 2 1 306.494 3.356 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641706861 435793077 /nfs/dbraw/zinc/79/30/77/435793077.db2.gz GBLCDHACOWVHDJ-CQSZACIVSA-N 2 1 316.449 3.013 20 0 DGADMP Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000641781202 435821378 /nfs/dbraw/zinc/82/13/78/435821378.db2.gz ROUMELOCVGWUIO-GFCCVEGCSA-N 2 1 322.250 3.384 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC[C@@H]1C1CC1 ZINC000655777664 435795022 /nfs/dbraw/zinc/79/50/22/435795022.db2.gz WBUNGQRJRGAIBT-NZSAHSFTSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@H]1n1ccnc1 ZINC000572239239 435797118 /nfs/dbraw/zinc/79/71/18/435797118.db2.gz PWMXIIBMWZZDMK-IEBWSBKVSA-N 2 1 312.461 3.293 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655800140 435809417 /nfs/dbraw/zinc/80/94/17/435809417.db2.gz ZKONTBICMJVLPI-LSDHHAIUSA-N 2 1 323.278 3.474 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000550885042 435813137 /nfs/dbraw/zinc/81/31/37/435813137.db2.gz CBXCYPBCTMJRNB-PXNSSMCTSA-N 2 1 314.473 3.496 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000550885042 435813141 /nfs/dbraw/zinc/81/31/41/435813141.db2.gz CBXCYPBCTMJRNB-PXNSSMCTSA-N 2 1 314.473 3.496 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc2ccccc2s1 ZINC000641771101 435816552 /nfs/dbraw/zinc/81/65/52/435816552.db2.gz CSXNGWSDQOJFEU-HNNXBMFYSA-N 2 1 306.475 3.084 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000551083296 435818871 /nfs/dbraw/zinc/81/88/71/435818871.db2.gz APSQPQUJSTYZER-ZCNNSNEGSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000551083296 435818875 /nfs/dbraw/zinc/81/88/75/435818875.db2.gz APSQPQUJSTYZER-ZCNNSNEGSA-N 2 1 316.489 3.353 20 0 DGADMP Cc1cccc(CCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000660478271 435767664 /nfs/dbraw/zinc/76/76/64/435767664.db2.gz LCPYSIZXAQWLHS-FQEVSTJZSA-N 2 1 316.489 3.114 20 0 DGADMP c1cc2cc[nH+]cc2c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655751921 435772131 /nfs/dbraw/zinc/77/21/31/435772131.db2.gz MJBWFERZABXBRG-KRWDZBQOSA-N 2 1 311.429 3.290 20 0 DGADMP c1cc(C2CCC2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655759925 435781327 /nfs/dbraw/zinc/78/13/27/435781327.db2.gz UHRXPERXKZLUIM-FQEVSTJZSA-N 2 1 314.473 3.297 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104038 435782908 /nfs/dbraw/zinc/78/29/08/435782908.db2.gz XMXHVSUMTAKXDO-AWEZNQCLSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104038 435782914 /nfs/dbraw/zinc/78/29/14/435782914.db2.gz XMXHVSUMTAKXDO-AWEZNQCLSA-N 2 1 308.853 3.198 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000549929599 435783435 /nfs/dbraw/zinc/78/34/35/435783435.db2.gz IBHGRKFIAQGGAZ-CYBMUJFWSA-N 2 1 316.367 3.247 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000549929599 435783443 /nfs/dbraw/zinc/78/34/43/435783443.db2.gz IBHGRKFIAQGGAZ-CYBMUJFWSA-N 2 1 316.367 3.247 20 0 DGADMP c1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655770277 435786108 /nfs/dbraw/zinc/78/61/08/435786108.db2.gz FJGBVZHNKIBCOH-UXHICEINSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1cc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1Cl ZINC000655769583 435786871 /nfs/dbraw/zinc/78/68/71/435786871.db2.gz LDCVUMDGOIJGIL-KRWDZBQOSA-N 2 1 322.880 3.034 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385971 435833951 /nfs/dbraw/zinc/83/39/51/435833951.db2.gz VFPPLXPJFJJSFH-MJGOQNOKSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652481 435840944 /nfs/dbraw/zinc/84/09/44/435840944.db2.gz JSBGCZVZLAEKNU-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652481 435840950 /nfs/dbraw/zinc/84/09/50/435840950.db2.gz JSBGCZVZLAEKNU-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652481 435840958 /nfs/dbraw/zinc/84/09/58/435840958.db2.gz JSBGCZVZLAEKNU-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652481 435840962 /nfs/dbraw/zinc/84/09/62/435840962.db2.gz JSBGCZVZLAEKNU-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Br)cc1)C2 ZINC000660655256 435841265 /nfs/dbraw/zinc/84/12/65/435841265.db2.gz LIWIESQBEFSLHC-MRXNPFEDSA-N 2 1 323.278 3.367 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657087 435843180 /nfs/dbraw/zinc/84/31/80/435843180.db2.gz VGHNSVZNOMXROK-IBGZPJMESA-N 2 1 311.429 3.259 20 0 DGADMP Cc1cc(C)cc(OCCN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654941 435844281 /nfs/dbraw/zinc/84/42/81/435844281.db2.gz JKEDWQKMYFKOGL-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660654941 435844285 /nfs/dbraw/zinc/84/42/85/435844285.db2.gz JKEDWQKMYFKOGL-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654941 435844292 /nfs/dbraw/zinc/84/42/92/435844292.db2.gz JKEDWQKMYFKOGL-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660663660 435847260 /nfs/dbraw/zinc/84/72/60/435847260.db2.gz OSUUMYZISUWIGU-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc(SCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660663660 435847263 /nfs/dbraw/zinc/84/72/63/435847263.db2.gz OSUUMYZISUWIGU-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc(SCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660663660 435847265 /nfs/dbraw/zinc/84/72/65/435847265.db2.gz OSUUMYZISUWIGU-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CC[C@H](OCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000651909054 435861728 /nfs/dbraw/zinc/86/17/28/435861728.db2.gz VPEWUHVNZQMCCJ-IBGZPJMESA-N 2 1 302.462 3.371 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697393 435863565 /nfs/dbraw/zinc/86/35/65/435863565.db2.gz ZCFLEQLPGOOQOL-QGZVFWFLSA-N 2 1 304.478 3.129 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)noc2c1 ZINC000655941587 435864830 /nfs/dbraw/zinc/86/48/30/435864830.db2.gz XMZNFUIBYOKWIJ-JKSUJKDBSA-N 2 1 313.445 3.082 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777949 435866175 /nfs/dbraw/zinc/86/61/75/435866175.db2.gz UMQHZOLDHMQYNA-BVBHFADKSA-N 2 1 319.493 3.004 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777949 435866180 /nfs/dbraw/zinc/86/61/80/435866180.db2.gz UMQHZOLDHMQYNA-BVBHFADKSA-N 2 1 319.493 3.004 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000641796622 435824082 /nfs/dbraw/zinc/82/40/82/435824082.db2.gz DUIZSEFJFZLXSR-INIZCTEOSA-N 2 1 301.434 3.455 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000641796622 435824087 /nfs/dbraw/zinc/82/40/87/435824087.db2.gz DUIZSEFJFZLXSR-INIZCTEOSA-N 2 1 301.434 3.455 20 0 DGADMP C[C@H]([NH2+]CCC1(CO)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652038579 435894005 /nfs/dbraw/zinc/89/40/05/435894005.db2.gz YIMOGTNHGHAZTF-PKOBYXMFSA-N 2 1 316.489 3.039 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000552276786 435894217 /nfs/dbraw/zinc/89/42/17/435894217.db2.gz KEBXPJYASSMRON-ZQTWVHHBSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193058 435908648 /nfs/dbraw/zinc/90/86/48/435908648.db2.gz LAYGVFMGNNFXCP-AHRSYUTCSA-N 2 1 315.505 3.421 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-c2ccccc2)cn1 ZINC000652190459 435921842 /nfs/dbraw/zinc/92/18/42/435921842.db2.gz ONKCTRHJZVVCEI-OAHLLOKOSA-N 2 1 306.413 3.375 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665248750 435928578 /nfs/dbraw/zinc/92/85/78/435928578.db2.gz BRLSVMVCGWGNDT-LBPRGKRZSA-N 2 1 316.474 3.436 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254127 435930948 /nfs/dbraw/zinc/93/09/48/435930948.db2.gz IINUQAIFSIGXCJ-NIKGAXFTSA-N 2 1 320.452 3.066 20 0 DGADMP CC[N@H+](CCC[NH2+][C@H]1CCCc2nn(C)cc21)C1CCCCC1 ZINC000652237706 435931051 /nfs/dbraw/zinc/93/10/51/435931051.db2.gz ARCCEGSTHLZFNX-SFHVURJKSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H]1CCCc2nn(C)cc21)C1CCCCC1 ZINC000652237706 435931052 /nfs/dbraw/zinc/93/10/52/435931052.db2.gz ARCCEGSTHLZFNX-SFHVURJKSA-N 2 1 318.509 3.432 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](CC)C2CC2)cc1 ZINC000665255288 435931058 /nfs/dbraw/zinc/93/10/58/435931058.db2.gz NYTMXRVPGKQNNH-FHWLQOOXSA-N 2 1 302.462 3.309 20 0 DGADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000665254202 435931193 /nfs/dbraw/zinc/93/11/93/435931193.db2.gz KEVJFBYIDLDYQH-UNLQRWGISA-N 2 1 320.452 3.066 20 0 DGADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258892 435933056 /nfs/dbraw/zinc/93/30/56/435933056.db2.gz OHVKZQBZYLHUNR-OQIJWPOYSA-N 2 1 320.452 3.066 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H](C)C2)cc1F ZINC000665258748 435933090 /nfs/dbraw/zinc/93/30/90/435933090.db2.gz KQHMMAFXNKQCMN-GUSZCTEKSA-N 2 1 306.425 3.058 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC2CCC2)cc1F ZINC000665259599 435933354 /nfs/dbraw/zinc/93/33/54/435933354.db2.gz JWHWAPGKBLXEIP-OWQGQXMQSA-N 2 1 320.452 3.448 20 0 DGADMP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902179 435879713 /nfs/dbraw/zinc/87/97/13/435879713.db2.gz PIPKUAVDZBFAGO-MAUKXSAKSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902179 435879719 /nfs/dbraw/zinc/87/97/19/435879719.db2.gz PIPKUAVDZBFAGO-MAUKXSAKSA-N 2 1 322.880 3.445 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000650705749 435994340 /nfs/dbraw/zinc/99/43/40/435994340.db2.gz UJIRMNPUMIRAKU-USXIJHARSA-N 2 1 308.853 3.058 20 0 DGADMP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363565 435958493 /nfs/dbraw/zinc/95/84/93/435958493.db2.gz IBCKCERYEQYZEU-BBWFWOEESA-N 2 1 320.502 3.269 20 0 DGADMP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3CC[C@H]3CCC[NH2+]C3)O2)cc1 ZINC000652364307 435959084 /nfs/dbraw/zinc/95/90/84/435959084.db2.gz GFCYVDYWSMHWTR-GTAWCEEGSA-N 2 1 314.473 3.371 20 0 DGADMP Clc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000656499662 435962787 /nfs/dbraw/zinc/96/27/87/435962787.db2.gz VRSAZKAAWAEEMH-GOSISDBHSA-N 2 1 322.880 3.116 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000647195821 435969846 /nfs/dbraw/zinc/96/98/46/435969846.db2.gz FIZDIVMUTHFAMA-NBMJBFSESA-N 2 1 302.462 3.054 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC23CC3)cc1 ZINC000647200838 435972451 /nfs/dbraw/zinc/97/24/51/435972451.db2.gz IWZBSRIKFYQIGE-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC23CC3)cc1 ZINC000647200838 435972454 /nfs/dbraw/zinc/97/24/54/435972454.db2.gz IWZBSRIKFYQIGE-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000647244984 435990665 /nfs/dbraw/zinc/99/06/65/435990665.db2.gz MQSDXDVQAHLHBK-YLJYHZDGSA-N 2 1 318.505 3.080 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000650707601 435995251 /nfs/dbraw/zinc/99/52/51/435995251.db2.gz JEMWAHYWTARXFX-BCYZHJNNSA-N 2 1 308.510 3.421 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000647249263 435992716 /nfs/dbraw/zinc/99/27/16/435992716.db2.gz OCVNHNHLMYAACL-YJLNNSPDSA-N 2 1 313.420 3.217 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000647249263 435992720 /nfs/dbraw/zinc/99/27/20/435992720.db2.gz OCVNHNHLMYAACL-YJLNNSPDSA-N 2 1 313.420 3.217 20 0 DGADMP FC(F)(F)c1cccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000665278405 435939037 /nfs/dbraw/zinc/93/90/37/435939037.db2.gz DNFVSIVUPSIQAC-YWCUFVOSSA-N 2 1 310.363 3.498 20 0 DGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348125 435955013 /nfs/dbraw/zinc/95/50/13/435955013.db2.gz VGRKMTHDLVOXBS-OSDKZWGASA-N 2 1 324.415 3.244 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348266 435957350 /nfs/dbraw/zinc/95/73/50/435957350.db2.gz ZLHRWGUAQIBZKS-SDCOAXJVSA-N 2 1 324.415 3.244 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652348916 435957472 /nfs/dbraw/zinc/95/74/72/435957472.db2.gz WAKZVMVCFYGYCV-UJWQCDCRSA-N 2 1 308.510 3.421 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000650709705 435997372 /nfs/dbraw/zinc/99/73/72/435997372.db2.gz MZQJFJCQENGHHU-HKUYNNGSSA-N 2 1 300.446 3.036 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)[C@@H]1CC[NH3+] ZINC000650711335 435997436 /nfs/dbraw/zinc/99/74/36/435997436.db2.gz PYLPKWJTXRSZPB-SMDDNHRTSA-N 2 1 316.367 3.376 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)[C@@H]1CC[NH3+] ZINC000650711450 435998120 /nfs/dbraw/zinc/99/81/20/435998120.db2.gz UDAHQCLXDVTERI-XJKSGUPXSA-N 2 1 316.474 3.154 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)[C@@H]1CC[NH3+] ZINC000650711546 435998671 /nfs/dbraw/zinc/99/86/71/435998671.db2.gz WQLAIUCKYAIEIW-SWLSCSKDSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)[C@@H]1CC[NH3+] ZINC000650711546 435998673 /nfs/dbraw/zinc/99/86/73/435998673.db2.gz WQLAIUCKYAIEIW-SWLSCSKDSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)[C@@H]1CC[NH3+] ZINC000650710950 435998822 /nfs/dbraw/zinc/99/88/22/435998822.db2.gz DHDNQYKLSUOLDB-IUODEOHRSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)[C@@H]1CC[NH3+] ZINC000650710950 435998824 /nfs/dbraw/zinc/99/88/24/435998824.db2.gz DHDNQYKLSUOLDB-IUODEOHRSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000650710302 435999372 /nfs/dbraw/zinc/99/93/72/435999372.db2.gz LQJXNKRDESKRAL-RDJZCZTQSA-N 2 1 311.429 3.494 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000650725172 436007850 /nfs/dbraw/zinc/00/78/50/436007850.db2.gz UXNUFUCQPGGIJK-AQNXPRMDSA-N 2 1 314.473 3.425 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C\c2ccc(F)cc2)C1 ZINC000650723032 436008134 /nfs/dbraw/zinc/00/81/34/436008134.db2.gz GMCWYGQFIAQBDA-XCCUNJHGSA-N 2 1 318.436 3.200 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000650723948 436008222 /nfs/dbraw/zinc/00/82/22/436008222.db2.gz WDEDJACFGNRMHN-FDPIWHGQSA-N 2 1 320.452 3.290 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC000650723834 436008463 /nfs/dbraw/zinc/00/84/63/436008463.db2.gz USDKYLJLHDPUAZ-VAMGGRTRSA-N 2 1 314.473 3.036 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000650724374 436009210 /nfs/dbraw/zinc/00/92/10/436009210.db2.gz DMMJYQARNZIUIE-VAMGGRTRSA-N 2 1 314.473 3.425 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(OC)c1 ZINC000650752325 436020526 /nfs/dbraw/zinc/02/05/26/436020526.db2.gz OVMVVVFUJSGPCF-GFCCVEGCSA-N 2 1 318.392 3.152 20 0 DGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344538 436025160 /nfs/dbraw/zinc/02/51/60/436025160.db2.gz TVWYBSGAZJSGAA-HQRMLTQVSA-N 2 1 309.457 3.386 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784389 436042576 /nfs/dbraw/zinc/04/25/76/436042576.db2.gz CZCAZTPKAWLEBE-BQHGXPCASA-N 2 1 314.473 3.420 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000656784800 436045494 /nfs/dbraw/zinc/04/54/94/436045494.db2.gz CHLDGCPTYARBAJ-ZDUSSCGKSA-N 2 1 312.379 3.316 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccnc2c1 ZINC000656785116 436045845 /nfs/dbraw/zinc/04/58/45/436045845.db2.gz IVMOQLQCYPKQET-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000656789375 436046506 /nfs/dbraw/zinc/04/65/06/436046506.db2.gz NNRVVUIAAGTHAG-UHFFFAOYSA-N 2 1 310.445 3.211 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705330 435995656 /nfs/dbraw/zinc/99/56/56/435995656.db2.gz DQBCKTRASJGLTR-GBESFXJTSA-N 2 1 302.462 3.022 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000650705834 435996037 /nfs/dbraw/zinc/99/60/37/435996037.db2.gz XVOYIOKYHZAJKV-INMHGKMJSA-N 2 1 308.853 3.058 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705439 435996489 /nfs/dbraw/zinc/99/64/89/435996489.db2.gz GSMVSZZKZRWJTF-YTQUADARSA-N 2 1 302.462 3.022 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000650705836 435996760 /nfs/dbraw/zinc/99/67/60/435996760.db2.gz XVOYIOKYHZAJKV-ZMSDIMECSA-N 2 1 308.853 3.058 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OC(C)C ZINC000650711551 435997302 /nfs/dbraw/zinc/99/73/02/435997302.db2.gz WRJJCQULBQHYOL-RDJZCZTQSA-N 2 1 320.477 3.432 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480226 436060431 /nfs/dbraw/zinc/06/04/31/436060431.db2.gz HEUAZTDFBZWONI-WMZOPIPTSA-N 2 1 310.445 3.041 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480490 436060506 /nfs/dbraw/zinc/06/05/06/436060506.db2.gz PMDVFKYJBGDGNF-HIFRSBDPSA-N 2 1 316.474 3.102 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480490 436060510 /nfs/dbraw/zinc/06/05/10/436060510.db2.gz PMDVFKYJBGDGNF-HIFRSBDPSA-N 2 1 316.474 3.102 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647485603 436063638 /nfs/dbraw/zinc/06/36/38/436063638.db2.gz IEYDFUDJPJTOGP-NVXWUHKLSA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647485603 436063645 /nfs/dbraw/zinc/06/36/45/436063645.db2.gz IEYDFUDJPJTOGP-NVXWUHKLSA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498155 436065274 /nfs/dbraw/zinc/06/52/74/436065274.db2.gz BOZTXTUTVWSIEA-BBRMVZONSA-N 2 1 301.459 3.369 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498155 436065276 /nfs/dbraw/zinc/06/52/76/436065276.db2.gz BOZTXTUTVWSIEA-BBRMVZONSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506492 436068244 /nfs/dbraw/zinc/06/82/44/436068244.db2.gz JFCGPJPWMQYNNC-NHFHULPWSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506492 436068247 /nfs/dbraw/zinc/06/82/47/436068247.db2.gz JFCGPJPWMQYNNC-NHFHULPWSA-N 2 1 302.462 3.008 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647499011 436068638 /nfs/dbraw/zinc/06/86/38/436068638.db2.gz WRPHRCUACDNTRG-XIRDDKMYSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647499011 436068641 /nfs/dbraw/zinc/06/86/41/436068641.db2.gz WRPHRCUACDNTRG-XIRDDKMYSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000647509195 436068910 /nfs/dbraw/zinc/06/89/10/436068910.db2.gz TWFRBTOWTWALMH-DZKIICNBSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC ZINC000647535665 436075010 /nfs/dbraw/zinc/07/50/10/436075010.db2.gz SOHQXXBVXOJMOL-HZPDHXFCSA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000647536691 436075736 /nfs/dbraw/zinc/07/57/36/436075736.db2.gz WAHLKJOSQUEOCY-RDTXWAMCSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000647536691 436075739 /nfs/dbraw/zinc/07/57/39/436075739.db2.gz WAHLKJOSQUEOCY-RDTXWAMCSA-N 2 1 306.450 3.043 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543633 436076917 /nfs/dbraw/zinc/07/69/17/436076917.db2.gz QQPUJJPLHFROCR-CHWSQXEVSA-N 2 1 312.379 3.316 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543452 436077290 /nfs/dbraw/zinc/07/72/90/436077290.db2.gz NRJUANZQSPEGIJ-LSDHHAIUSA-N 2 1 305.491 3.232 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543971 436077498 /nfs/dbraw/zinc/07/74/98/436077498.db2.gz VBZPOHQUGIVLHF-HUUCEWRRSA-N 2 1 324.415 3.500 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1nc2c(s1)CCCC2)CC1CCCC1 ZINC000647541386 436078787 /nfs/dbraw/zinc/07/87/87/436078787.db2.gz INNRBDCJQCFPMA-UHFFFAOYSA-N 2 1 307.507 3.363 20 0 DGADMP [NH3+]CCC[N@H+](Cc1nc2c(s1)CCCC2)CC1CCCC1 ZINC000647541386 436078794 /nfs/dbraw/zinc/07/87/94/436078794.db2.gz INNRBDCJQCFPMA-UHFFFAOYSA-N 2 1 307.507 3.363 20 0 DGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544090 436079281 /nfs/dbraw/zinc/07/92/81/436079281.db2.gz WODFFLAXHLTTTQ-QZTJIDSGSA-N 2 1 309.457 3.446 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3C[NH2+]C[C@H](C)C3)s2)cs1 ZINC000647548646 436081674 /nfs/dbraw/zinc/08/16/74/436081674.db2.gz MNKKXRZGDVLHDO-YPMHNXCESA-N 2 1 321.515 3.310 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551112 436082446 /nfs/dbraw/zinc/08/24/46/436082446.db2.gz YHQMDHYXJANHTR-SWLSCSKDSA-N 2 1 312.379 3.325 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551110 436083400 /nfs/dbraw/zinc/08/34/00/436083400.db2.gz YHQMDHYXJANHTR-DOMZBBRYSA-N 2 1 312.379 3.325 20 0 DGADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000647664528 436098400 /nfs/dbraw/zinc/09/84/00/436098400.db2.gz DSLTWVCIRNUTAS-CQSZACIVSA-N 2 1 314.433 3.145 20 0 DGADMP CC[C@H]1CCC[C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)CC1 ZINC000657308138 436128433 /nfs/dbraw/zinc/12/84/33/436128433.db2.gz OLGGCMKQHLVAPK-RBUKOAKNSA-N 2 1 309.542 3.353 20 0 DGADMP c1cc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000647884378 436140508 /nfs/dbraw/zinc/14/05/08/436140508.db2.gz IKQPCOTUYWUMMC-QGZVFWFLSA-N 2 1 316.445 3.332 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225526 436141357 /nfs/dbraw/zinc/14/13/57/436141357.db2.gz HGTBRCJQJMUFCW-HOTGVXAUSA-N 2 1 312.461 3.080 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225526 436141369 /nfs/dbraw/zinc/14/13/69/436141369.db2.gz HGTBRCJQJMUFCW-HOTGVXAUSA-N 2 1 312.461 3.080 20 0 DGADMP c1nn(-c2ccccc2)c2c1C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647890793 436141958 /nfs/dbraw/zinc/14/19/58/436141958.db2.gz VKCOCWBJLXLHIY-UHFFFAOYSA-N 2 1 324.472 3.010 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657348192 436152534 /nfs/dbraw/zinc/15/25/34/436152534.db2.gz NGIXQUQSOUZIBK-UHFFFAOYSA-N 2 1 321.553 3.209 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000647937401 436153454 /nfs/dbraw/zinc/15/34/54/436153454.db2.gz XYABHCFOGFWOPV-IAQYHMDHSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CO1 ZINC000657365555 436159931 /nfs/dbraw/zinc/15/99/31/436159931.db2.gz IAENURROJNCKMW-ATZDWAIDSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000661710772 436161558 /nfs/dbraw/zinc/16/15/58/436161558.db2.gz VYIRMFATUTYCKV-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP CC[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000647938655 436154771 /nfs/dbraw/zinc/15/47/71/436154771.db2.gz RENRHRVWGVSYDM-SMDDNHRTSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000647938655 436154776 /nfs/dbraw/zinc/15/47/76/436154776.db2.gz RENRHRVWGVSYDM-SMDDNHRTSA-N 2 1 317.260 3.431 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976870 436166882 /nfs/dbraw/zinc/16/68/82/436166882.db2.gz VKVORALWRINFFK-ROUUACIJSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@@]1(F)CNCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647981877 436166980 /nfs/dbraw/zinc/16/69/80/436166980.db2.gz QGDQSWOPWFXAHR-OAHLLOKOSA-N 2 1 318.358 3.271 20 0 DGADMP C[C@@]1(F)CNCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647981877 436166985 /nfs/dbraw/zinc/16/69/85/436166985.db2.gz QGDQSWOPWFXAHR-OAHLLOKOSA-N 2 1 318.358 3.271 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977661 436167350 /nfs/dbraw/zinc/16/73/50/436167350.db2.gz FWPUQSJPRDVRBT-MOPGFXCFSA-N 2 1 316.489 3.339 20 0 DGADMP Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965554 436162700 /nfs/dbraw/zinc/16/27/00/436162700.db2.gz AEQPCHVJGYZXII-PVAVHDDUSA-N 2 1 308.466 3.062 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372583 436163636 /nfs/dbraw/zinc/16/36/36/436163636.db2.gz WSNHQANAFBSFAC-RBUKOAKNSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372583 436163644 /nfs/dbraw/zinc/16/36/44/436163644.db2.gz WSNHQANAFBSFAC-RBUKOAKNSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CO1 ZINC000657374846 436165228 /nfs/dbraw/zinc/16/52/28/436165228.db2.gz SCQJTNMRZQHRJQ-DLTWYDFYSA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CO1 ZINC000657374846 436165230 /nfs/dbraw/zinc/16/52/30/436165230.db2.gz SCQJTNMRZQHRJQ-DLTWYDFYSA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CO1 ZINC000657374849 436165528 /nfs/dbraw/zinc/16/55/28/436165528.db2.gz SCQJTNMRZQHRJQ-MPTYRVRUSA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CO1 ZINC000657374849 436165533 /nfs/dbraw/zinc/16/55/33/436165533.db2.gz SCQJTNMRZQHRJQ-MPTYRVRUSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000666227997 436179231 /nfs/dbraw/zinc/17/92/31/436179231.db2.gz VBHZQLFPOHAUFJ-RHSMWYFYSA-N 2 1 308.416 3.327 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530332 436236562 /nfs/dbraw/zinc/23/65/62/436236562.db2.gz AXPOVQILNKOSJZ-QZTJIDSGSA-N 2 1 314.473 3.341 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530332 436236567 /nfs/dbraw/zinc/23/65/67/436236567.db2.gz AXPOVQILNKOSJZ-QZTJIDSGSA-N 2 1 314.473 3.341 20 0 DGADMP c1[nH+]c2n(c1CNc1cccc(CC[NH+]3CCCC3)c1)CCC2 ZINC000657423304 436193027 /nfs/dbraw/zinc/19/30/27/436193027.db2.gz FCFYVHBOKQHXLE-UHFFFAOYSA-N 2 1 310.445 3.080 20 0 DGADMP Cc1ncsc1-c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000657426640 436194687 /nfs/dbraw/zinc/19/46/87/436194687.db2.gz BBQXOTNAIOEDBS-UHFFFAOYSA-N 2 1 313.470 3.470 20 0 DGADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2noc3ccccc23)C1 ZINC000653551963 436201712 /nfs/dbraw/zinc/20/17/12/436201712.db2.gz BWLDPUIMIAPVJO-OAHLLOKOSA-N 2 1 310.401 3.212 20 0 DGADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2noc3ccccc23)C1 ZINC000653551963 436201717 /nfs/dbraw/zinc/20/17/17/436201717.db2.gz BWLDPUIMIAPVJO-OAHLLOKOSA-N 2 1 310.401 3.212 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)CCc2noc3ccccc32)CC1 ZINC000653564290 436207088 /nfs/dbraw/zinc/20/70/88/436207088.db2.gz ZGARJRMJZRHXMA-UHFFFAOYSA-N 2 1 301.434 3.177 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCc2noc3ccccc32)CC1 ZINC000653564290 436207092 /nfs/dbraw/zinc/20/70/92/436207092.db2.gz ZGARJRMJZRHXMA-UHFFFAOYSA-N 2 1 301.434 3.177 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661866312 436216312 /nfs/dbraw/zinc/21/63/12/436216312.db2.gz XQLOBUROTBTCPO-SFHVURJKSA-N 2 1 305.466 3.253 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000653590558 436217640 /nfs/dbraw/zinc/21/76/40/436217640.db2.gz KNZHHXLGXVFQMH-GFCCVEGCSA-N 2 1 305.809 3.072 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2CC2CCC2)CC1 ZINC000662157996 436289652 /nfs/dbraw/zinc/28/96/52/436289652.db2.gz ROYJQYBNKMGULK-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@]1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CCC[NH2+]C1 ZINC000666843173 436291758 /nfs/dbraw/zinc/29/17/58/436291758.db2.gz OMTNEQOSNJZDDK-KRWDZBQOSA-N 2 1 303.837 3.368 20 0 DGADMP Clc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000666856462 436294663 /nfs/dbraw/zinc/29/46/63/436294663.db2.gz JOERSOMOJFYDLU-LBPRGKRZSA-N 2 1 317.658 3.334 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000666559265 436244326 /nfs/dbraw/zinc/24/43/26/436244326.db2.gz GENSMGRUKZOSII-HNNXBMFYSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000666559265 436244333 /nfs/dbraw/zinc/24/43/33/436244333.db2.gz GENSMGRUKZOSII-HNNXBMFYSA-N 2 1 315.461 3.094 20 0 DGADMP CCC(C)(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000653811636 436269346 /nfs/dbraw/zinc/26/93/46/436269346.db2.gz RKIMHOHYSGPQNV-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OC ZINC000666798899 436283865 /nfs/dbraw/zinc/28/38/65/436283865.db2.gz QEUDKOBKPRKIDX-GOEBONIOSA-N 2 1 308.466 3.336 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662243884 436311207 /nfs/dbraw/zinc/31/12/07/436311207.db2.gz GERQCYHQVZSHEU-UHFFFAOYSA-N 2 1 316.367 3.249 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250183 436313775 /nfs/dbraw/zinc/31/37/75/436313775.db2.gz AFDAFSGRDLELQP-HIFRSBDPSA-N 2 1 320.864 3.386 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662257454 436313912 /nfs/dbraw/zinc/31/39/12/436313912.db2.gz SHLSFPFXXRKWRA-SFHVURJKSA-N 2 1 322.452 3.330 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1C ZINC000662257002 436315318 /nfs/dbraw/zinc/31/53/18/436315318.db2.gz LIRJESQRBYZPBV-UHFFFAOYSA-N 2 1 310.441 3.281 20 0 DGADMP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000657816709 436315544 /nfs/dbraw/zinc/31/55/44/436315544.db2.gz KTLMTBOPLNWXAA-UZLBHIALSA-N 2 1 316.489 3.495 20 0 DGADMP C[N@@H+](CCSc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266391 436315579 /nfs/dbraw/zinc/31/55/79/436315579.db2.gz XNIRCNYWGRMGSA-PBWFPOADSA-N 2 1 312.429 3.272 20 0 DGADMP CC[N@@H+](CCc1nsc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000662267580 436316465 /nfs/dbraw/zinc/31/64/65/436316465.db2.gz VPTUEBXMSKPZBN-CQSZACIVSA-N 2 1 303.475 3.303 20 0 DGADMP CC[C@@](C)([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nccs1 ZINC000662265854 436316924 /nfs/dbraw/zinc/31/69/24/436316924.db2.gz WFVIKSREIRHHBS-QGZVFWFLSA-N 2 1 301.459 3.204 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCSc3cccc(Cl)c3)C[C@H]21 ZINC000662267261 436316990 /nfs/dbraw/zinc/31/69/90/436316990.db2.gz UBAZSUZCAMMGDK-APHBMKBZSA-N 2 1 310.894 3.491 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OC ZINC000666981186 436319201 /nfs/dbraw/zinc/31/92/01/436319201.db2.gz ZBQOJHNQOYFJGY-SUMWQHHRSA-N 2 1 308.466 3.336 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000662273901 436320699 /nfs/dbraw/zinc/32/06/99/436320699.db2.gz QPWNXSOSOGTKOB-KBPBESRZSA-N 2 1 308.853 3.170 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C2CCCCC2)n1 ZINC000666996775 436321542 /nfs/dbraw/zinc/32/15/42/436321542.db2.gz FKSZRTASULAZHM-QGZVFWFLSA-N 2 1 316.493 3.232 20 0 DGADMP Brc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000666998306 436321691 /nfs/dbraw/zinc/32/16/91/436321691.db2.gz NADJDQBRGIGQNL-NSHDSACASA-N 2 1 315.280 3.275 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000662276200 436322071 /nfs/dbraw/zinc/32/20/71/436322071.db2.gz KSXLDWLEPHIQBN-WMLDXEAASA-N 2 1 308.466 3.382 20 0 DGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])on2)cc1 ZINC000662273507 436322159 /nfs/dbraw/zinc/32/21/59/436322159.db2.gz NXBCFHZGMADQRE-OAHLLOKOSA-N 2 1 315.417 3.054 20 0 DGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])on2)cc1 ZINC000662273507 436322163 /nfs/dbraw/zinc/32/21/63/436322163.db2.gz NXBCFHZGMADQRE-OAHLLOKOSA-N 2 1 315.417 3.054 20 0 DGADMP COc1cccc(SCC[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000662275809 436322219 /nfs/dbraw/zinc/32/22/19/436322219.db2.gz BEPKVTUXBSHFER-KRWDZBQOSA-N 2 1 308.491 3.285 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000662273911 436322386 /nfs/dbraw/zinc/32/23/86/436322386.db2.gz QRJRKNMSWSIUGY-HOTGVXAUSA-N 2 1 320.502 3.109 20 0 DGADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662281199 436324165 /nfs/dbraw/zinc/32/41/65/436324165.db2.gz VXNWFHNYKHCRAL-YCRPNKLZSA-N 2 1 322.452 3.156 20 0 DGADMP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294241 436326884 /nfs/dbraw/zinc/32/68/84/436326884.db2.gz QEYGXEGEQAZNAU-DZGCQCFKSA-N 2 1 323.506 3.062 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1F ZINC000662305602 436327618 /nfs/dbraw/zinc/32/76/18/436327618.db2.gz KVDRFHUXMOOEND-KRWDZBQOSA-N 2 1 306.425 3.361 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326283 436330865 /nfs/dbraw/zinc/33/08/65/436330865.db2.gz YMKIWOLOOORADV-RDTXWAMCSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326283 436330868 /nfs/dbraw/zinc/33/08/68/436330868.db2.gz YMKIWOLOOORADV-RDTXWAMCSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325811 436330907 /nfs/dbraw/zinc/33/09/07/436330907.db2.gz QCKZWHMHWDCXQV-MJGOQNOKSA-N 2 1 320.452 3.246 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325811 436330911 /nfs/dbraw/zinc/33/09/11/436330911.db2.gz QCKZWHMHWDCXQV-MJGOQNOKSA-N 2 1 320.452 3.246 20 0 DGADMP C[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322927 436331890 /nfs/dbraw/zinc/33/18/90/436331890.db2.gz JPLHZXGSJRPISX-MAUKXSAKSA-N 2 1 324.896 3.486 20 0 DGADMP C[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322927 436331893 /nfs/dbraw/zinc/33/18/93/436331893.db2.gz JPLHZXGSJRPISX-MAUKXSAKSA-N 2 1 324.896 3.486 20 0 DGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000657873348 436331978 /nfs/dbraw/zinc/33/19/78/436331978.db2.gz MAGAFNHYYXYIOF-IKGGRYGDSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657875733 436332299 /nfs/dbraw/zinc/33/22/99/436332299.db2.gz ICRCNHIRTWZUNF-WMZOPIPTSA-N 2 1 300.490 3.428 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658060295 436363977 /nfs/dbraw/zinc/36/39/77/436363977.db2.gz YPPLVCMWXLVXLF-NEWSRXKRSA-N 2 1 321.553 3.492 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658092727 436372275 /nfs/dbraw/zinc/37/22/75/436372275.db2.gz RKKSUJQQLTZBQS-QRQLOZEOSA-N 2 1 321.553 3.492 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)c2C1 ZINC000662704516 436380155 /nfs/dbraw/zinc/38/01/55/436380155.db2.gz JAVVTBIMBGABNS-HNNXBMFYSA-N 2 1 317.477 3.362 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)c2C1 ZINC000662704516 436380158 /nfs/dbraw/zinc/38/01/58/436380158.db2.gz JAVVTBIMBGABNS-HNNXBMFYSA-N 2 1 317.477 3.362 20 0 DGADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)C1 ZINC000658127605 436383214 /nfs/dbraw/zinc/38/32/14/436383214.db2.gz NQKUMUOHWXJKJD-VUHPKUFZSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137884 436385439 /nfs/dbraw/zinc/38/54/39/436385439.db2.gz IRPIBQAWUCXFQP-PXNSSMCTSA-N 2 1 316.489 3.478 20 0 DGADMP C1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230503 436406164 /nfs/dbraw/zinc/40/61/64/436406164.db2.gz ZETCUOYWLVVNRX-SJLPKXTDSA-N 2 1 306.494 3.332 20 0 DGADMP C1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230503 436406168 /nfs/dbraw/zinc/40/61/68/436406168.db2.gz ZETCUOYWLVVNRX-SJLPKXTDSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000658245934 436409481 /nfs/dbraw/zinc/40/94/81/436409481.db2.gz AYTCQXCPOKQADE-YOEHRIQHSA-N 2 1 313.445 3.240 20 0 DGADMP CCOC1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000658042365 436358367 /nfs/dbraw/zinc/35/83/67/436358367.db2.gz VLJHVJILIHFKNP-OAHAVBBTSA-N 2 1 316.489 3.269 20 0 DGADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320146 436430014 /nfs/dbraw/zinc/43/00/14/436430014.db2.gz OEWOTWLWSNYUST-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@H](COC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319456 436430415 /nfs/dbraw/zinc/43/04/15/436430415.db2.gz BDOQLQUFVJXWFB-RBUKOAKNSA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471835 436467137 /nfs/dbraw/zinc/46/71/37/436467137.db2.gz YQRFQDDCZGFVJZ-DOTOQJQBSA-N 2 1 302.462 3.468 20 0 DGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471835 436467140 /nfs/dbraw/zinc/46/71/40/436467140.db2.gz YQRFQDDCZGFVJZ-DOTOQJQBSA-N 2 1 302.462 3.468 20 0 DGADMP c1ccc2c(c1)ccnc2C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344586 436442111 /nfs/dbraw/zinc/44/21/11/436442111.db2.gz BLANPIKMNDALJV-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc2c(c1)ccnc2C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344586 436442113 /nfs/dbraw/zinc/44/21/13/436442113.db2.gz BLANPIKMNDALJV-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343932 436442634 /nfs/dbraw/zinc/44/26/34/436442634.db2.gz KEGVTLPDDIDBPQ-MUGJNUQGSA-N 2 1 320.521 3.293 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663344059 436442935 /nfs/dbraw/zinc/44/29/35/436442935.db2.gz NFWKCIWXTVQOQP-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663344059 436442939 /nfs/dbraw/zinc/44/29/39/436442939.db2.gz NFWKCIWXTVQOQP-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347671 436445343 /nfs/dbraw/zinc/44/53/43/436445343.db2.gz RSGKABBDQSFMID-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663470634 436467498 /nfs/dbraw/zinc/46/74/98/436467498.db2.gz VUTIGUQTKROJGJ-DOTOQJQBSA-N 2 1 302.462 3.468 20 0 DGADMP FCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000663462073 436461833 /nfs/dbraw/zinc/46/18/33/436461833.db2.gz UXRBMCTZXVXHDL-IPMKNSEASA-N 2 1 320.452 3.005 20 0 DGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466487 436464209 /nfs/dbraw/zinc/46/42/09/436464209.db2.gz UNQNSOASUASDAK-NVXWUHKLSA-N 2 1 304.453 3.468 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCCC2 ZINC000663467708 436465425 /nfs/dbraw/zinc/46/54/25/436465425.db2.gz HIOUOVPMCNGCBU-GBESFXJTSA-N 2 1 320.521 3.436 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466928 436465794 /nfs/dbraw/zinc/46/57/94/436465794.db2.gz BIYBFEBFMNJKPD-NVXWUHKLSA-N 2 1 305.441 3.383 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466928 436465797 /nfs/dbraw/zinc/46/57/97/436465797.db2.gz BIYBFEBFMNJKPD-NVXWUHKLSA-N 2 1 305.441 3.383 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CCC(O)CC2)cc1 ZINC000658284002 436417808 /nfs/dbraw/zinc/41/78/08/436417808.db2.gz JSJLKAMWVHAMKD-ASFAAARLSA-N 2 1 313.445 3.382 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CCC([NH2+]C(C)C)CC2)[nH+]1 ZINC000663529427 436474727 /nfs/dbraw/zinc/47/47/27/436474727.db2.gz CBMYTWMSBSPRED-UHFFFAOYSA-N 2 1 301.356 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1[nH+]ccc2[nH]ccc21 ZINC000663588495 436480941 /nfs/dbraw/zinc/48/09/41/436480941.db2.gz BOCSSUHRLIUBBX-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655352522 436533295 /nfs/dbraw/zinc/53/32/95/436533295.db2.gz MFZPCUGHRJBNPB-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)ns2)CC1 ZINC000659847796 436540916 /nfs/dbraw/zinc/54/09/16/436540916.db2.gz RMMVJEHPLKCUSX-UHFFFAOYSA-N 2 1 311.495 3.096 20 0 DGADMP C[N@@H+](CCc1nsc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000659948118 436565067 /nfs/dbraw/zinc/56/50/67/436565067.db2.gz OCLYTOFINMXRCK-CQSZACIVSA-N 2 1 303.475 3.112 20 0 DGADMP C[NH+](CCc1nsc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000659948118 436565070 /nfs/dbraw/zinc/56/50/70/436565070.db2.gz OCLYTOFINMXRCK-CQSZACIVSA-N 2 1 303.475 3.112 20 0 DGADMP C[NH+](CCc1nsc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659948118 436565074 /nfs/dbraw/zinc/56/50/74/436565074.db2.gz OCLYTOFINMXRCK-CQSZACIVSA-N 2 1 303.475 3.112 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000659977115 436571155 /nfs/dbraw/zinc/57/11/55/436571155.db2.gz VIWCCXYEKVSCGW-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000659977115 436571159 /nfs/dbraw/zinc/57/11/59/436571159.db2.gz VIWCCXYEKVSCGW-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP c1ccc2c(c1)cccc2CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655689193 436575746 /nfs/dbraw/zinc/57/57/46/436575746.db2.gz YIVXTTSEUNBCSD-HXUWFJFHSA-N 2 1 324.468 3.225 20 0 DGADMP c1ccc(CCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655692026 436576020 /nfs/dbraw/zinc/57/60/20/436576020.db2.gz CKATYSGIQMLZNY-HXUWFJFHSA-N 2 1 316.489 3.242 20 0 DGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065572 436584532 /nfs/dbraw/zinc/58/45/32/436584532.db2.gz ZDZOWWJFSPRGAM-IVDHNXQLSA-N 2 1 321.553 3.302 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1)CC1CC1 ZINC000660168450 436599118 /nfs/dbraw/zinc/59/91/18/436599118.db2.gz RPAUNYXJWIWDGJ-VQIMIIECSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000660200598 436603824 /nfs/dbraw/zinc/60/38/24/436603824.db2.gz SDCUQFCFVANWHL-SJLPKXTDSA-N 2 1 306.494 3.373 20 0 DGADMP COc1ccccc1[C@@H](CC(C)C)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000660199737 436603877 /nfs/dbraw/zinc/60/38/77/436603877.db2.gz CMFILKXXHXVHKM-SJLPKXTDSA-N 2 1 322.493 3.073 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256968 436614468 /nfs/dbraw/zinc/61/44/68/436614468.db2.gz OZPRCMYCDWLVPP-WMLDXEAASA-N 2 1 312.461 3.306 20 0 DGADMP Cc1c2ccccc2oc1[C@@H](C)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000660263710 436615910 /nfs/dbraw/zinc/61/59/10/436615910.db2.gz MAFLOVXRJKDWCB-HUUCEWRRSA-N 2 1 304.434 3.093 20 0 DGADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423534158 303117719 /nfs/dbraw/zinc/11/77/19/303117719.db2.gz VJDPQWKENAPENB-XUWVNRHRSA-N 2 1 312.379 3.453 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000344292732 303131428 /nfs/dbraw/zinc/13/14/28/303131428.db2.gz GJEAWMULPXGEBB-BODMPHMZSA-N 2 1 322.399 3.011 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000132756291 312650069 /nfs/dbraw/zinc/65/00/69/312650069.db2.gz BFZZYIOLLTUEPD-ZDUSSCGKSA-N 2 1 312.392 3.305 20 0 DGADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377297274 313037447 /nfs/dbraw/zinc/03/74/47/313037447.db2.gz JHAPTNGNMCFBDD-QGZVFWFLSA-N 2 1 304.503 3.384 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530231723 313344030 /nfs/dbraw/zinc/34/40/30/313344030.db2.gz SZHZSUBRDPXRFN-YJBOKZPZSA-N 2 1 302.462 3.120 20 0 DGADMP FC(F)(F)c1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000530234710 313345008 /nfs/dbraw/zinc/34/50/08/313345008.db2.gz SZHDZJLCLPXJDJ-UHFFFAOYSA-N 2 1 312.379 3.453 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000530355039 313360575 /nfs/dbraw/zinc/36/05/75/313360575.db2.gz YCEWAHHZOCSNIT-HNNXBMFYSA-N 2 1 305.809 3.120 20 0 DGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1Br ZINC000530460207 313372501 /nfs/dbraw/zinc/37/25/01/313372501.db2.gz VSKJDFFFTZKNQP-HNNXBMFYSA-N 2 1 322.250 3.466 20 0 DGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCS2 ZINC000530460234 313372652 /nfs/dbraw/zinc/37/26/52/313372652.db2.gz BUNIFNTYJAHJRJ-INIZCTEOSA-N 2 1 301.459 3.406 20 0 DGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCc1c[nH+]cn1C)CCS2 ZINC000530460238 313372718 /nfs/dbraw/zinc/37/27/18/313372718.db2.gz BUNIFNTYJAHJRJ-MRXNPFEDSA-N 2 1 301.459 3.406 20 0 DGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(F)F)cc1 ZINC000530460429 313372919 /nfs/dbraw/zinc/37/29/19/313372919.db2.gz TZXJTZCMKQXGRY-OAHLLOKOSA-N 2 1 309.360 3.305 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000541534795 314021265 /nfs/dbraw/zinc/02/12/65/314021265.db2.gz FAMNLNHFXDPOSB-MTHXSQLBSA-N 2 1 308.510 3.386 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000541534796 314021279 /nfs/dbraw/zinc/02/12/79/314021279.db2.gz FAMNLNHFXDPOSB-RHQZKXFESA-N 2 1 308.510 3.386 20 0 DGADMP CC[C@@H]1C[C@H](C)C[NH+]1CC1(C[N@@H+]2C[C@H](C)C[C@@H]2CC)COC1 ZINC000542001464 314051958 /nfs/dbraw/zinc/05/19/58/314051958.db2.gz JXVXQCLUCNEWIE-FZDBZEDMSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC1(C[NH+]2C[C@H](C)C[C@@H]2CC)COC1 ZINC000542001464 314051961 /nfs/dbraw/zinc/05/19/61/314051961.db2.gz JXVXQCLUCNEWIE-FZDBZEDMSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CC1(C[NH+]2C[C@H](C)C[C@@H]2CC)COC1 ZINC000542001464 314051963 /nfs/dbraw/zinc/05/19/63/314051963.db2.gz JXVXQCLUCNEWIE-FZDBZEDMSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCOCC1 ZINC000542826995 314101605 /nfs/dbraw/zinc/10/16/05/314101605.db2.gz QPRBITNDEAUUCH-WDYCEAGBSA-N 2 1 308.510 3.434 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000543604024 314144974 /nfs/dbraw/zinc/14/49/74/314144974.db2.gz YBELQPWCCRYCSV-QGZVFWFLSA-N 2 1 310.869 3.275 20 0 DGADMP C[C@@H]1C[NH+](CC2(C[N@@H+]3C[C@@H](C)CC3(C)C)COC2)C(C)(C)C1 ZINC000543858518 314161674 /nfs/dbraw/zinc/16/16/74/314161674.db2.gz UOODUNVZXFVXCV-HOTGVXAUSA-N 2 1 308.510 3.244 20 0 DGADMP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000546566314 314311238 /nfs/dbraw/zinc/31/12/38/314311238.db2.gz LYMOIILJASCIBU-SSUIOBEFSA-N 2 1 316.489 3.307 20 0 DGADMP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000546566314 314311239 /nfs/dbraw/zinc/31/12/39/314311239.db2.gz LYMOIILJASCIBU-SSUIOBEFSA-N 2 1 316.489 3.307 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1)[NH+]1CCCC1 ZINC000550096743 314528612 /nfs/dbraw/zinc/52/86/12/314528612.db2.gz LJPAAEMQNOZCGW-OKZBNKHCSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000562955640 315064648 /nfs/dbraw/zinc/06/46/48/315064648.db2.gz FGICFDXMSRHWBD-ACJLOTCBSA-N 2 1 315.461 3.130 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000563135469 315082409 /nfs/dbraw/zinc/08/24/09/315082409.db2.gz LAXSXEBXWMZGFK-MOPGFXCFSA-N 2 1 322.452 3.404 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000564211053 315162821 /nfs/dbraw/zinc/16/28/21/315162821.db2.gz OKHGBSIULSEUAJ-CABCVRRESA-N 2 1 315.486 3.475 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCC(C)C ZINC000564466159 315178255 /nfs/dbraw/zinc/17/82/55/315178255.db2.gz ZJPFKAZIFOQAID-DOTOQJQBSA-N 2 1 320.477 3.432 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCC(C)C ZINC000564466159 315178259 /nfs/dbraw/zinc/17/82/59/315178259.db2.gz ZJPFKAZIFOQAID-DOTOQJQBSA-N 2 1 320.477 3.432 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000564973816 315216430 /nfs/dbraw/zinc/21/64/30/315216430.db2.gz UDTWYOVFVQTSDX-HOTGVXAUSA-N 2 1 313.470 3.160 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000564973816 315216433 /nfs/dbraw/zinc/21/64/33/315216433.db2.gz UDTWYOVFVQTSDX-HOTGVXAUSA-N 2 1 313.470 3.160 20 0 DGADMP [NH3+]C[C@@H](C[N@H+]1CC[C@H](Oc2ccccc2)C1)c1ccc(F)cc1 ZINC000564988496 315217216 /nfs/dbraw/zinc/21/72/16/315217216.db2.gz AGUTWLVVTKMGKQ-LPHOPBHVSA-N 2 1 314.404 3.021 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cccc4ccccc43)C[C@@H]21 ZINC000564987656 315217654 /nfs/dbraw/zinc/21/76/54/315217654.db2.gz CBGGRJSEGYYBEE-YTQUADARSA-N 2 1 310.441 3.278 20 0 DGADMP C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000565702872 315281003 /nfs/dbraw/zinc/28/10/03/315281003.db2.gz QTLQTEQJULHRFQ-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP CCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000565719492 315282942 /nfs/dbraw/zinc/28/29/42/315282942.db2.gz KABOPLSOBYHXJE-NRFANRHFSA-N 2 1 324.468 3.105 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000566690691 315368272 /nfs/dbraw/zinc/36/82/72/315368272.db2.gz GWUJUIHJCQXYPZ-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1F ZINC000566709148 315368738 /nfs/dbraw/zinc/36/87/38/315368738.db2.gz FMUOLSONYVYKLE-GJZGRUSLSA-N 2 1 310.457 3.331 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000566709148 315368741 /nfs/dbraw/zinc/36/87/41/315368741.db2.gz FMUOLSONYVYKLE-GJZGRUSLSA-N 2 1 310.457 3.331 20 0 DGADMP c1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(-c2ccccc2)o1 ZINC000567641486 315437798 /nfs/dbraw/zinc/43/77/98/315437798.db2.gz BKPXGEMRECKZQK-IXDOHACOSA-N 2 1 311.429 3.352 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000573952471 315917250 /nfs/dbraw/zinc/91/72/50/315917250.db2.gz JHIBJJRXJXLOLS-LSDHHAIUSA-N 2 1 324.852 3.251 20 0 DGADMP c1ccc(N[C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000575411781 316052785 /nfs/dbraw/zinc/05/27/85/316052785.db2.gz BSGIFFPENWVJST-FQEVSTJZSA-N 2 1 307.441 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000576814672 316170113 /nfs/dbraw/zinc/17/01/13/316170113.db2.gz LUQABAYYSOOKTG-LLVKDONJSA-N 2 1 300.830 3.007 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(F)c1 ZINC000576996803 316190775 /nfs/dbraw/zinc/19/07/75/316190775.db2.gz ISCLLVAPNASUMB-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(F)c1 ZINC000576996803 316190776 /nfs/dbraw/zinc/19/07/76/316190776.db2.gz ISCLLVAPNASUMB-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccc2ccccc2c1)C1CC1 ZINC000577505477 316243365 /nfs/dbraw/zinc/24/33/65/316243365.db2.gz JNBOPXPWFZDYDN-FQEVSTJZSA-N 2 1 312.457 3.117 20 0 DGADMP CCN(C)C[C@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505477 316243370 /nfs/dbraw/zinc/24/33/70/316243370.db2.gz JNBOPXPWFZDYDN-FQEVSTJZSA-N 2 1 312.457 3.117 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505477 316243376 /nfs/dbraw/zinc/24/33/76/316243376.db2.gz JNBOPXPWFZDYDN-FQEVSTJZSA-N 2 1 312.457 3.117 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(c2cc(CC)nc(C)n2)CC1 ZINC000180429371 323229176 /nfs/dbraw/zinc/22/91/76/323229176.db2.gz KRLRTSFLGJVUKL-UHFFFAOYSA-N 2 1 304.482 3.296 20 0 DGADMP CCCC[N@H+](C)CC1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000180429371 323229179 /nfs/dbraw/zinc/22/91/79/323229179.db2.gz KRLRTSFLGJVUKL-UHFFFAOYSA-N 2 1 304.482 3.296 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000180429371 323229182 /nfs/dbraw/zinc/22/91/82/323229182.db2.gz KRLRTSFLGJVUKL-UHFFFAOYSA-N 2 1 304.482 3.296 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CC3 ZINC000180507293 323231174 /nfs/dbraw/zinc/23/11/74/323231174.db2.gz PBWJGPCLNGPZST-CVEARBPZSA-N 2 1 311.473 3.265 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181693166 323264330 /nfs/dbraw/zinc/26/43/30/323264330.db2.gz VWFXLXHRYZKPIH-PVAVHDDUSA-N 2 1 307.482 3.257 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000182045828 323281221 /nfs/dbraw/zinc/28/12/21/323281221.db2.gz RUPBVURTMMHABF-HCXYKTFWSA-N 2 1 320.521 3.292 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(CC(C)C)c2)CC1 ZINC000183056921 323322722 /nfs/dbraw/zinc/32/27/22/323322722.db2.gz JOURBGLLTGADMD-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000184331226 323362217 /nfs/dbraw/zinc/36/22/17/323362217.db2.gz DXWQQZGJGCLPQO-CQSZACIVSA-N 2 1 316.449 3.332 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000184496531 323367309 /nfs/dbraw/zinc/36/73/09/323367309.db2.gz PODSXHFLAYCTGX-GJZGRUSLSA-N 2 1 304.434 3.330 20 0 DGADMP CCc1ccc([C@@H](COC)[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000184855711 323375478 /nfs/dbraw/zinc/37/54/78/323375478.db2.gz ZTMCYNNIFJFKHH-MRXNPFEDSA-N 2 1 305.422 3.104 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[NH+](C)C ZINC000580617907 324019058 /nfs/dbraw/zinc/01/90/58/324019058.db2.gz WGANJWYZXWJNCB-SCTDSRPQSA-N 2 1 320.525 3.402 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000580665781 324024361 /nfs/dbraw/zinc/02/43/61/324024361.db2.gz JUHDRWOFOBISHW-VAMGGRTRSA-N 2 1 316.489 3.323 20 0 DGADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000580819629 324042697 /nfs/dbraw/zinc/04/26/97/324042697.db2.gz JKVJWWPGECJKPW-UHFFFAOYSA-N 2 1 324.490 3.087 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000581041701 324066592 /nfs/dbraw/zinc/06/65/92/324066592.db2.gz YPRDBOGCKPJIOC-QBPKDAKJSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000581041701 324066595 /nfs/dbraw/zinc/06/65/95/324066595.db2.gz YPRDBOGCKPJIOC-QBPKDAKJSA-N 2 1 312.498 3.064 20 0 DGADMP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000581134668 324078766 /nfs/dbraw/zinc/07/87/66/324078766.db2.gz ADSITJQSCZSUCL-UHFFFAOYSA-N 2 1 324.468 3.166 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000582062562 324184755 /nfs/dbraw/zinc/18/47/55/324184755.db2.gz OUJASCANYCZHOS-OLZOCXBDSA-N 2 1 300.368 3.480 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000582062564 324184816 /nfs/dbraw/zinc/18/48/16/324184816.db2.gz OUJASCANYCZHOS-STQMWFEESA-N 2 1 300.368 3.480 20 0 DGADMP c1ccc2c(c1)CC(C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213087 324203325 /nfs/dbraw/zinc/20/33/25/324203325.db2.gz OZPDGGJISHKMNM-TZIWHRDSSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213087 324203328 /nfs/dbraw/zinc/20/33/28/324203328.db2.gz OZPDGGJISHKMNM-TZIWHRDSSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000582213087 324203332 /nfs/dbraw/zinc/20/33/32/324203332.db2.gz OZPDGGJISHKMNM-TZIWHRDSSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000582213087 324203334 /nfs/dbraw/zinc/20/33/34/324203334.db2.gz OZPDGGJISHKMNM-TZIWHRDSSA-N 2 1 310.485 3.350 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2CCC2CCCC2)n1 ZINC000582551590 324244425 /nfs/dbraw/zinc/24/44/25/324244425.db2.gz XXZDMBWRHIEOFU-CQSZACIVSA-N 2 1 306.454 3.198 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000415066928 533788884 /nfs/dbraw/zinc/78/88/84/533788884.db2.gz OPOUDGHZFCVEFC-GUYCJALGSA-N 2 1 308.441 3.120 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC(C)C ZINC000442922812 533807377 /nfs/dbraw/zinc/80/73/77/533807377.db2.gz LCHQVPYRNRPXSL-OAHLLOKOSA-N 2 1 306.450 3.043 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H](C)C2)cc(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000432816515 533818916 /nfs/dbraw/zinc/81/89/16/533818916.db2.gz QPCKSGUJPOUZFF-HZPDHXFCSA-N 2 1 302.462 3.379 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000441270067 533837338 /nfs/dbraw/zinc/83/73/38/533837338.db2.gz NOKPNLRKHGCMNM-FVVUREQNSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423367327 533866571 /nfs/dbraw/zinc/86/65/71/533866571.db2.gz RGNSBPQZEAEAOL-CMPLNLGQSA-N 2 1 302.340 3.220 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(C)(C)C3)c2)CCO1 ZINC000433170505 533953822 /nfs/dbraw/zinc/95/38/22/533953822.db2.gz XETHDTSLVGCETJ-HNNXBMFYSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(C)(C)C3)c2)CCO1 ZINC000433170505 533953829 /nfs/dbraw/zinc/95/38/29/533953829.db2.gz XETHDTSLVGCETJ-HNNXBMFYSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415136097 534037837 /nfs/dbraw/zinc/03/78/37/534037837.db2.gz XCUXWAUVKYDBAS-OCCSQVGLSA-N 2 1 316.367 3.044 20 0 DGADMP COc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084184 534046272 /nfs/dbraw/zinc/04/62/72/534046272.db2.gz OKEGVZRKGNCRON-MOPGFXCFSA-N 2 1 310.441 3.321 20 0 DGADMP COc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084187 534046492 /nfs/dbraw/zinc/04/64/92/534046492.db2.gz OKEGVZRKGNCRON-RTBURBONSA-N 2 1 310.441 3.321 20 0 DGADMP FC(F)(F)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414841106 534420561 /nfs/dbraw/zinc/42/05/61/534420561.db2.gz YWSRPNJMFHNGHY-SNVBAGLBSA-N 2 1 306.759 3.448 20 0 DGADMP C[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000430940281 534469782 /nfs/dbraw/zinc/46/97/82/534469782.db2.gz OGNWFBIAWLNMPY-QMTHXVAHSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000430940281 534469783 /nfs/dbraw/zinc/46/97/83/534469783.db2.gz OGNWFBIAWLNMPY-QMTHXVAHSA-N 2 1 303.233 3.041 20 0 DGADMP c1ccc(CCCO[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420310571 534486530 /nfs/dbraw/zinc/48/65/30/534486530.db2.gz VECFIPMKQZWMMU-UXHICEINSA-N 2 1 316.489 3.100 20 0 DGADMP c1ccc(COCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415090849 534490188 /nfs/dbraw/zinc/49/01/88/534490188.db2.gz PIPDWUDPRFRBCJ-WOJBJXKFSA-N 2 1 310.441 3.286 20 0 DGADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415085289 534536533 /nfs/dbraw/zinc/53/65/33/534536533.db2.gz PTWOWLVCRCNQMP-PKOBYXMFSA-N 2 1 320.440 3.119 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000154457838 521680188 /nfs/dbraw/zinc/68/01/88/521680188.db2.gz WYKUUZLZNQYDAY-MRXNPFEDSA-N 2 1 323.550 3.433 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420363136 534654043 /nfs/dbraw/zinc/65/40/43/534654043.db2.gz BFFKECGSNSTALL-HUUCEWRRSA-N 2 1 308.853 3.183 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000442929566 534655014 /nfs/dbraw/zinc/65/50/14/534655014.db2.gz RTWZWHOTISFQGV-LLVKDONJSA-N 2 1 304.331 3.405 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294979122 534710879 /nfs/dbraw/zinc/71/08/79/534710879.db2.gz GVGYWAGPTMCDHJ-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccccc1-c1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000415117845 534790820 /nfs/dbraw/zinc/79/08/20/534790820.db2.gz XGLWGAJKUUWKJU-LJQANCHMSA-N 2 1 310.441 3.212 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157544817 525021694 /nfs/dbraw/zinc/02/16/94/525021694.db2.gz MNCXWZMHKZJHNO-OLZOCXBDSA-N 2 1 303.837 3.447 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000317251038 527773480 /nfs/dbraw/zinc/77/34/80/527773480.db2.gz NLMUOSQJCMRNKK-IAGOWNOFSA-N 2 1 300.446 3.117 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433326803 527975035 /nfs/dbraw/zinc/97/50/35/527975035.db2.gz PKWOMSNATPVKGV-HNNXBMFYSA-N 2 1 316.449 3.127 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433326803 527975041 /nfs/dbraw/zinc/97/50/41/527975041.db2.gz PKWOMSNATPVKGV-HNNXBMFYSA-N 2 1 316.449 3.127 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000427872106 527988128 /nfs/dbraw/zinc/98/81/28/527988128.db2.gz WXEJMWQJKCGALG-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000427872106 527988133 /nfs/dbraw/zinc/98/81/33/527988133.db2.gz WXEJMWQJKCGALG-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000427872106 527988136 /nfs/dbraw/zinc/98/81/36/527988136.db2.gz WXEJMWQJKCGALG-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000444595014 528071512 /nfs/dbraw/zinc/07/15/12/528071512.db2.gz NBVNNCHYHCXKEN-RCCFBDPRSA-N 2 1 308.510 3.388 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000293652013 528151751 /nfs/dbraw/zinc/15/17/51/528151751.db2.gz KMDKDCHZQIHAAD-LJQANCHMSA-N 2 1 304.478 3.098 20 0 DGADMP CC1CCN([C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000415086943 528262517 /nfs/dbraw/zinc/26/25/17/528262517.db2.gz SHVTVEMCEQMMLL-IRXDYDNUSA-N 2 1 321.534 3.253 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC ZINC000415053832 528263015 /nfs/dbraw/zinc/26/30/15/528263015.db2.gz PEDLDOUFSQZHQQ-DLBZAZTESA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OC(F)F ZINC000415051921 528281334 /nfs/dbraw/zinc/28/13/34/528281334.db2.gz JYBFSHHHWSJNDW-AWEZNQCLSA-N 2 1 316.392 3.150 20 0 DGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178230030 528372578 /nfs/dbraw/zinc/37/25/78/528372578.db2.gz BXIKDRLHZMAQIM-ZDUSSCGKSA-N 2 1 300.406 3.055 20 0 DGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178230019 528373198 /nfs/dbraw/zinc/37/31/98/528373198.db2.gz BXIKDRLHZMAQIM-CYBMUJFWSA-N 2 1 300.406 3.055 20 0 DGADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000433138987 528445906 /nfs/dbraw/zinc/44/59/06/528445906.db2.gz UYYJBSLYDKNXKQ-CRAIPNDOSA-N 2 1 317.477 3.230 20 0 DGADMP CCOc1ccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441367462 528570977 /nfs/dbraw/zinc/57/09/77/528570977.db2.gz QNSHSAQKUJCGPH-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441367462 528570981 /nfs/dbraw/zinc/57/09/81/528570981.db2.gz QNSHSAQKUJCGPH-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441367462 528570983 /nfs/dbraw/zinc/57/09/83/528570983.db2.gz QNSHSAQKUJCGPH-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441367462 528570991 /nfs/dbraw/zinc/57/09/91/528570991.db2.gz QNSHSAQKUJCGPH-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442924122 528671981 /nfs/dbraw/zinc/67/19/81/528671981.db2.gz RMBOQLMGGNTNTL-MRXNPFEDSA-N 2 1 320.477 3.435 20 0 DGADMP CC[N@@H+](Cc1ccc(SC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435387961 528795665 /nfs/dbraw/zinc/79/56/65/528795665.db2.gz CKZFEIIPFRQBMY-HNNXBMFYSA-N 2 1 308.491 3.381 20 0 DGADMP CC[N@H+](Cc1cn(-c2ccccc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435388525 528863496 /nfs/dbraw/zinc/86/34/96/528863496.db2.gz GFZCXXXIOKDRDU-GOSISDBHSA-N 2 1 312.461 3.145 20 0 DGADMP CC[N@@H+](Cc1cn(-c2ccccc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435388525 528863501 /nfs/dbraw/zinc/86/35/01/528863501.db2.gz GFZCXXXIOKDRDU-GOSISDBHSA-N 2 1 312.461 3.145 20 0 DGADMP CCCCc1oc2ccccc2c1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415104528 529065903 /nfs/dbraw/zinc/06/59/03/529065903.db2.gz FCBYPJDMYUUFKZ-OAHLLOKOSA-N 2 1 316.445 3.325 20 0 DGADMP CCCCc1oc2ccccc2c1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415104528 529065906 /nfs/dbraw/zinc/06/59/06/529065906.db2.gz FCBYPJDMYUUFKZ-OAHLLOKOSA-N 2 1 316.445 3.325 20 0 DGADMP CCOCCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471862271 535516102 /nfs/dbraw/zinc/51/61/02/535516102.db2.gz QVMBSXXVLJIVBF-RBUKOAKNSA-N 2 1 304.478 3.085 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000486934496 535724517 /nfs/dbraw/zinc/72/45/17/535724517.db2.gz YMEFBLGZQUMIIC-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000487274885 535724576 /nfs/dbraw/zinc/72/45/76/535724576.db2.gz YWXODXFQMYGWCS-CYBMUJFWSA-N 2 1 305.397 3.155 20 0 DGADMP CC[C@@H](O)[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000449636067 535815228 /nfs/dbraw/zinc/81/52/28/535815228.db2.gz CPRSYKICPMQTDD-DGDSNLKDSA-N 2 1 316.489 3.321 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000489903575 536180611 /nfs/dbraw/zinc/18/06/11/536180611.db2.gz BODJBHAFJKNXBW-INIZCTEOSA-N 2 1 308.416 3.171 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000489903575 536180614 /nfs/dbraw/zinc/18/06/14/536180614.db2.gz BODJBHAFJKNXBW-INIZCTEOSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000489903575 536180615 /nfs/dbraw/zinc/18/06/15/536180615.db2.gz BODJBHAFJKNXBW-INIZCTEOSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000489903575 536180618 /nfs/dbraw/zinc/18/06/18/536180618.db2.gz BODJBHAFJKNXBW-INIZCTEOSA-N 2 1 308.416 3.171 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OCCCCO2 ZINC000449306061 536346819 /nfs/dbraw/zinc/34/68/19/536346819.db2.gz VJMDZIXLPFOCAE-UHFFFAOYSA-N 2 1 318.461 3.156 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OCCCCO2 ZINC000449306061 536346822 /nfs/dbraw/zinc/34/68/22/536346822.db2.gz VJMDZIXLPFOCAE-UHFFFAOYSA-N 2 1 318.461 3.156 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000472768131 536357350 /nfs/dbraw/zinc/35/73/50/536357350.db2.gz IANUOTFGAUYYAL-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000459796003 536384724 /nfs/dbraw/zinc/38/47/24/536384724.db2.gz VUSKWUQONRNJRL-QGZVFWFLSA-N 2 1 302.462 3.297 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)[C@H]1c1cccs1 ZINC000494606457 536387085 /nfs/dbraw/zinc/38/70/85/536387085.db2.gz BNWUUAPTVRUYTN-PBHICJAKSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)[C@H]1c1cccs1 ZINC000494606457 536387089 /nfs/dbraw/zinc/38/70/89/536387089.db2.gz BNWUUAPTVRUYTN-PBHICJAKSA-N 2 1 319.449 3.455 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459461034 536566622 /nfs/dbraw/zinc/56/66/22/536566622.db2.gz JNJXXZANWJHAGS-FZKQIMNGSA-N 2 1 306.425 3.118 20 0 DGADMP CC[N@@H+](Cc1ccoc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092935780 545850698 /nfs/dbraw/zinc/85/06/98/545850698.db2.gz BMOUYTAQBFTWEZ-UHFFFAOYSA-N 2 1 302.418 3.242 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000093053688 545851735 /nfs/dbraw/zinc/85/17/35/545851735.db2.gz NQBOJKRYTBJISU-UHFFFAOYSA-N 2 1 312.461 3.051 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000156873639 546037048 /nfs/dbraw/zinc/03/70/48/546037048.db2.gz CCLHZVGSQXWOST-IUODEOHRSA-N 2 1 300.368 3.320 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000164569981 546089064 /nfs/dbraw/zinc/08/90/64/546089064.db2.gz NJMCXJJZOSCSJO-HNNXBMFYSA-N 2 1 315.461 3.271 20 0 DGADMP CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000166107272 546094913 /nfs/dbraw/zinc/09/49/13/546094913.db2.gz RRVLXAFBMLDDDE-QRVBRYPASA-N 2 1 307.526 3.103 20 0 DGADMP c1cc(OC2CCCC2)ncc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166206866 546095136 /nfs/dbraw/zinc/09/51/36/546095136.db2.gz VPUPHHJOPFOPKQ-IAGOWNOFSA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166206866 546095139 /nfs/dbraw/zinc/09/51/39/546095139.db2.gz VPUPHHJOPFOPKQ-IAGOWNOFSA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166206866 546095141 /nfs/dbraw/zinc/09/51/41/546095141.db2.gz VPUPHHJOPFOPKQ-IAGOWNOFSA-N 2 1 315.461 3.119 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000180697204 546147533 /nfs/dbraw/zinc/14/75/33/546147533.db2.gz WRXSPYBKSGETJY-CABCVRRESA-N 2 1 300.450 3.279 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000180697204 546147536 /nfs/dbraw/zinc/14/75/36/546147536.db2.gz WRXSPYBKSGETJY-CABCVRRESA-N 2 1 300.450 3.279 20 0 DGADMP CC[NH+](CC)CCCC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000181827953 546161071 /nfs/dbraw/zinc/16/10/71/546161071.db2.gz MCHRXFCKDJFPFD-UHFFFAOYSA-N 2 1 304.482 3.432 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000185116564 546186569 /nfs/dbraw/zinc/18/65/69/546186569.db2.gz SRMIUNFZIPMVLY-CCLIWJKGSA-N 2 1 320.521 3.028 20 0 DGADMP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236740059 546281070 /nfs/dbraw/zinc/28/10/70/546281070.db2.gz KEVSYNMCKXSPMD-QAPCUYQASA-N 2 1 317.477 3.230 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250598731 546329028 /nfs/dbraw/zinc/32/90/28/546329028.db2.gz JMJJSWUNXFPDPL-WBMJQRKESA-N 2 1 323.278 3.368 20 0 DGADMP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000280073890 546378194 /nfs/dbraw/zinc/37/81/94/546378194.db2.gz LDLOXHYVIKFHGU-UYAOXDASSA-N 2 1 323.484 3.433 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000282513597 546392006 /nfs/dbraw/zinc/39/20/06/546392006.db2.gz TVGGHVZEFVOPHL-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000282513597 546392013 /nfs/dbraw/zinc/39/20/13/546392013.db2.gz TVGGHVZEFVOPHL-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319672398 546465139 /nfs/dbraw/zinc/46/51/39/546465139.db2.gz HLTPDNDEVMXWPF-USYVTKNRSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319672398 546465141 /nfs/dbraw/zinc/46/51/41/546465141.db2.gz HLTPDNDEVMXWPF-USYVTKNRSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319672398 546465144 /nfs/dbraw/zinc/46/51/44/546465144.db2.gz HLTPDNDEVMXWPF-USYVTKNRSA-N 2 1 322.537 3.370 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337380539 546519408 /nfs/dbraw/zinc/51/94/08/546519408.db2.gz IYWSYGGLQJZMSM-HOTGVXAUSA-N 2 1 322.493 3.263 20 0 DGADMP CCc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000339066681 546531786 /nfs/dbraw/zinc/53/17/86/546531786.db2.gz CZKXMOVZDLHZHB-UFYCRDLUSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339066681 546531787 /nfs/dbraw/zinc/53/17/87/546531787.db2.gz CZKXMOVZDLHZHB-UFYCRDLUSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339066681 546531792 /nfs/dbraw/zinc/53/17/92/546531792.db2.gz CZKXMOVZDLHZHB-UFYCRDLUSA-N 2 1 315.505 3.068 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339067278 546531903 /nfs/dbraw/zinc/53/19/03/546531903.db2.gz FYQPKFVEABHCOU-ULQDDVLXSA-N 2 1 316.445 3.125 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339071527 546532910 /nfs/dbraw/zinc/53/29/10/546532910.db2.gz RKEREGPBPNTJIO-UXHICEINSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339071527 546532914 /nfs/dbraw/zinc/53/29/14/546532914.db2.gz RKEREGPBPNTJIO-UXHICEINSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339071527 546532918 /nfs/dbraw/zinc/53/29/18/546532918.db2.gz RKEREGPBPNTJIO-UXHICEINSA-N 2 1 315.505 3.245 20 0 DGADMP CCc1cc(NCc2ccc(C[NH+](CC)CC)cc2)nc(C)[nH+]1 ZINC000359720320 546711978 /nfs/dbraw/zinc/71/19/78/546711978.db2.gz BNJRNPBPNFIORB-UHFFFAOYSA-N 2 1 312.461 3.223 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000396845616 546762032 /nfs/dbraw/zinc/76/20/32/546762032.db2.gz GPGYSDHKYKEPQO-YDZRNGNQSA-N 2 1 314.473 3.054 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC3CCOCC3)C2)CC1 ZINC000409447409 546769570 /nfs/dbraw/zinc/76/95/70/546769570.db2.gz IYTFGOYAUVAMGC-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@@H](C)O1 ZINC000414258079 546782593 /nfs/dbraw/zinc/78/25/93/546782593.db2.gz LORJWGLRYPKUSP-POGZOPGASA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@@H](C)O1 ZINC000414258079 546782600 /nfs/dbraw/zinc/78/26/00/546782600.db2.gz LORJWGLRYPKUSP-POGZOPGASA-N 2 1 302.462 3.225 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414798369 546788467 /nfs/dbraw/zinc/78/84/67/546788467.db2.gz QGZIFLPEIHASRE-CQSZACIVSA-N 2 1 322.250 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414934708 546790953 /nfs/dbraw/zinc/79/09/53/546790953.db2.gz YCWBNFIOKKJVRA-ZIAGYGMSSA-N 2 1 305.422 3.309 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@H]1c1ccccc1 ZINC000453377491 546860676 /nfs/dbraw/zinc/86/06/76/546860676.db2.gz XRAWBBCROWHSCR-IRXDYDNUSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@H]1c1ccccc1 ZINC000453377491 546860679 /nfs/dbraw/zinc/86/06/79/546860679.db2.gz XRAWBBCROWHSCR-IRXDYDNUSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000517580683 546959756 /nfs/dbraw/zinc/95/97/56/546959756.db2.gz FHYBVXFYGYUJJS-RYRKJORJSA-N 2 1 312.461 3.361 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000521054638 546964911 /nfs/dbraw/zinc/96/49/11/546964911.db2.gz HAYOQJBJQKQOME-DSLXNQLJSA-N 2 1 304.478 3.209 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000521054638 546964917 /nfs/dbraw/zinc/96/49/17/546964917.db2.gz HAYOQJBJQKQOME-DSLXNQLJSA-N 2 1 304.478 3.209 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550797106 546996726 /nfs/dbraw/zinc/99/67/26/546996726.db2.gz LKUUJWGTUHGFSM-XWSJACJDSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550797106 546996728 /nfs/dbraw/zinc/99/67/28/546996728.db2.gz LKUUJWGTUHGFSM-XWSJACJDSA-N 2 1 302.462 3.369 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000667493919 547201306 /nfs/dbraw/zinc/20/13/06/547201306.db2.gz HEWBCOIYPPARJC-MRXNPFEDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000667493919 547201312 /nfs/dbraw/zinc/20/13/12/547201312.db2.gz HEWBCOIYPPARJC-MRXNPFEDSA-N 2 1 320.477 3.016 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667619333 547244958 /nfs/dbraw/zinc/24/49/58/547244958.db2.gz ZZGQDBINXDDEMY-HNNXBMFYSA-N 2 1 322.412 3.036 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)c1 ZINC000667819346 547312043 /nfs/dbraw/zinc/31/20/43/547312043.db2.gz UMFOMRHEZUOTRS-UWWQBHOKSA-N 2 1 320.502 3.117 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)c1 ZINC000667819346 547312046 /nfs/dbraw/zinc/31/20/46/547312046.db2.gz UMFOMRHEZUOTRS-UWWQBHOKSA-N 2 1 320.502 3.117 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667867836 547323497 /nfs/dbraw/zinc/32/34/97/547323497.db2.gz LBSQNZMMASXFIO-YSGRDPCXSA-N 2 1 314.473 3.369 20 0 DGADMP CCCOc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C)c1 ZINC000667947338 547343308 /nfs/dbraw/zinc/34/33/08/547343308.db2.gz NFCBYQJBWFOBQD-APWZRJJASA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1 ZINC000667947338 547343314 /nfs/dbraw/zinc/34/33/14/547343314.db2.gz NFCBYQJBWFOBQD-APWZRJJASA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC000668027501 547363860 /nfs/dbraw/zinc/36/38/60/547363860.db2.gz KOOTYJRUXCQSNK-UHFFFAOYSA-N 2 1 302.462 3.454 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668158623 547396889 /nfs/dbraw/zinc/39/68/89/547396889.db2.gz ZACKUJGIFWHYEZ-UHFFFAOYSA-N 2 1 321.428 3.117 20 0 DGADMP CC(C)c1nc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)c2ccccn21 ZINC000668431904 547455249 /nfs/dbraw/zinc/45/52/49/547455249.db2.gz GWBMFCSRFRHJJX-HNNXBMFYSA-N 2 1 314.477 3.420 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@H+]2C(C)(C)C)c2ccccn21 ZINC000668431904 547455258 /nfs/dbraw/zinc/45/52/58/547455258.db2.gz GWBMFCSRFRHJJX-HNNXBMFYSA-N 2 1 314.477 3.420 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784312 547540051 /nfs/dbraw/zinc/54/00/51/547540051.db2.gz BDYXVLUPGYKHJV-APWZRJJASA-N 2 1 322.468 3.189 20 0 DGADMP CC(C)[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785031 547541452 /nfs/dbraw/zinc/54/14/52/547541452.db2.gz LQJZFGCTBREAFX-VQTJNVASSA-N 2 1 318.505 3.469 20 0 DGADMP CC[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785794 547541495 /nfs/dbraw/zinc/54/14/95/547541495.db2.gz XLQAFQOHRNGYDY-MJGOQNOKSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(C)c1O ZINC000668818785 547548981 /nfs/dbraw/zinc/54/89/81/547548981.db2.gz LJLFKJFCJRNKGF-KRWDZBQOSA-N 2 1 302.462 3.221 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819858 547549634 /nfs/dbraw/zinc/54/96/34/547549634.db2.gz PZMXIDOXYJMTLR-YJBOKZPZSA-N 2 1 302.462 3.035 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)C2CCCCC2)CC1 ZINC000669688458 547672378 /nfs/dbraw/zinc/67/23/78/547672378.db2.gz SIVUUOTZGINFKQ-UHFFFAOYSA-N 2 1 307.526 3.200 20 0 DGADMP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669709341 547676941 /nfs/dbraw/zinc/67/69/41/547676941.db2.gz UCAHRLLIYNJANC-QLCSPZGSSA-N 2 1 310.363 3.260 20 0 DGADMP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669709341 547676943 /nfs/dbraw/zinc/67/69/43/547676943.db2.gz UCAHRLLIYNJANC-QLCSPZGSSA-N 2 1 310.363 3.260 20 0 DGADMP C[C@@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269418 547742396 /nfs/dbraw/zinc/74/23/96/547742396.db2.gz CFDZKLCOVZBMCW-PXNSSMCTSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269418 547742399 /nfs/dbraw/zinc/74/23/99/547742399.db2.gz CFDZKLCOVZBMCW-PXNSSMCTSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269418 547742403 /nfs/dbraw/zinc/74/24/03/547742403.db2.gz CFDZKLCOVZBMCW-PXNSSMCTSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269418 547742405 /nfs/dbraw/zinc/74/24/05/547742405.db2.gz CFDZKLCOVZBMCW-PXNSSMCTSA-N 2 1 318.505 3.237 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000671760254 547828679 /nfs/dbraw/zinc/82/86/79/547828679.db2.gz NGBVHOJENSJVMJ-NBYUQASBSA-N 2 1 314.473 3.015 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000671760251 547828698 /nfs/dbraw/zinc/82/86/98/547828698.db2.gz NGBVHOJENSJVMJ-FFGOWVMKSA-N 2 1 314.473 3.015 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000673626798 547975776 /nfs/dbraw/zinc/97/57/76/547975776.db2.gz DQJSSRMKZIQWFY-CJNGLKHVSA-N 2 1 324.415 3.259 20 0 DGADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881441 548283430 /nfs/dbraw/zinc/28/34/30/548283430.db2.gz LHUWQWLOBJILMA-AZUAARDMSA-N 2 1 314.473 3.297 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000675927774 548293411 /nfs/dbraw/zinc/29/34/11/548293411.db2.gz PPHRFPPSNGJYRT-GOSISDBHSA-N 2 1 323.484 3.482 20 0 DGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000677130006 548456619 /nfs/dbraw/zinc/45/66/19/548456619.db2.gz RJIQJOOMSXRPPU-SFHVURJKSA-N 2 1 306.400 3.416 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677132458 548457623 /nfs/dbraw/zinc/45/76/23/548457623.db2.gz ZIZOXQKFVGSSNK-GTNSWQLSSA-N 2 1 305.372 3.383 20 0 DGADMP CC1(C)C[C@H](NCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000677804364 548557784 /nfs/dbraw/zinc/55/77/84/548557784.db2.gz FZCVKYMCZMSTGJ-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000678233157 548647749 /nfs/dbraw/zinc/64/77/49/548647749.db2.gz TVUQRZISQSKUBK-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000678233157 548647752 /nfs/dbraw/zinc/64/77/52/548647752.db2.gz TVUQRZISQSKUBK-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000678233157 548647758 /nfs/dbraw/zinc/64/77/58/548647758.db2.gz TVUQRZISQSKUBK-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000678233157 548647762 /nfs/dbraw/zinc/64/77/62/548647762.db2.gz TVUQRZISQSKUBK-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000678267532 548662417 /nfs/dbraw/zinc/66/24/17/548662417.db2.gz QEPRLXRKHDFACP-UHFFFAOYSA-N 2 1 316.470 3.247 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOc3ccccc32)C[C@@H]1C ZINC000678277084 548665993 /nfs/dbraw/zinc/66/59/93/548665993.db2.gz QCPYJDGXOWQZJC-ULQDDVLXSA-N 2 1 302.462 3.357 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCOc2ccccc21 ZINC000678279701 548667884 /nfs/dbraw/zinc/66/78/84/548667884.db2.gz ZSAFXQTXDXWAPW-IRXDYDNUSA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCOc2ccccc21 ZINC000678279701 548667886 /nfs/dbraw/zinc/66/78/86/548667886.db2.gz ZSAFXQTXDXWAPW-IRXDYDNUSA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCOc2ccccc21 ZINC000678279701 548667890 /nfs/dbraw/zinc/66/78/90/548667890.db2.gz ZSAFXQTXDXWAPW-IRXDYDNUSA-N 2 1 302.462 3.359 20 0 DGADMP c1ccc(Sc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000678343415 548684239 /nfs/dbraw/zinc/68/42/39/548684239.db2.gz UGPJTGMJWSTPDU-IAGOWNOFSA-N 2 1 310.466 3.489 20 0 DGADMP Clc1ccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000678343351 548684450 /nfs/dbraw/zinc/68/44/50/548684450.db2.gz RDQOQCXIPIXBGU-ZIAGYGMSSA-N 2 1 302.805 3.251 20 0 DGADMP Clc1ccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000678343348 548684608 /nfs/dbraw/zinc/68/46/08/548684608.db2.gz RDQOQCXIPIXBGU-KBPBESRZSA-N 2 1 302.805 3.251 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000678603158 548738586 /nfs/dbraw/zinc/73/85/86/548738586.db2.gz LUIJNQKGBZHLMT-UXHICEINSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000678770014 548760197 /nfs/dbraw/zinc/76/01/97/548760197.db2.gz CMKLQLDYNLYSNZ-YJBOKZPZSA-N 2 1 302.462 3.010 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000679338113 548881567 /nfs/dbraw/zinc/88/15/67/548881567.db2.gz FENQGFQYBFHQCB-JKSUJKDBSA-N 2 1 310.507 3.101 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000679338113 548881573 /nfs/dbraw/zinc/88/15/73/548881573.db2.gz FENQGFQYBFHQCB-JKSUJKDBSA-N 2 1 310.507 3.101 20 0 DGADMP Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000679393351 548891187 /nfs/dbraw/zinc/89/11/87/548891187.db2.gz WIEHGQAZJQVIOL-SFHVURJKSA-N 2 1 302.462 3.480 20 0 DGADMP Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000679393351 548891190 /nfs/dbraw/zinc/89/11/90/548891190.db2.gz WIEHGQAZJQVIOL-SFHVURJKSA-N 2 1 302.462 3.480 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679720650 548943480 /nfs/dbraw/zinc/94/34/80/548943480.db2.gz ACZZECNNUPXFES-NVXWUHKLSA-N 2 1 318.509 3.381 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679720650 548943481 /nfs/dbraw/zinc/94/34/81/548943481.db2.gz ACZZECNNUPXFES-NVXWUHKLSA-N 2 1 318.509 3.381 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680036971 548984464 /nfs/dbraw/zinc/98/44/64/548984464.db2.gz CDWHASYWPZGKKL-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000681390442 549201102 /nfs/dbraw/zinc/20/11/02/549201102.db2.gz VCQDJVIWYQHNJD-DZGCQCFKSA-N 2 1 322.415 3.341 20 0 DGADMP c1cnn(C[C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc2)c1 ZINC000682029203 549278018 /nfs/dbraw/zinc/27/80/18/549278018.db2.gz RVCNKSJDUYIYQZ-LJQANCHMSA-N 2 1 312.461 3.090 20 0 DGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000683690916 549519635 /nfs/dbraw/zinc/51/96/35/549519635.db2.gz SSNJIRZUUNJZOI-GGPHIMKMSA-N 2 1 310.445 3.003 20 0 DGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]n1 ZINC000683690916 549519639 /nfs/dbraw/zinc/51/96/39/549519639.db2.gz SSNJIRZUUNJZOI-GGPHIMKMSA-N 2 1 310.445 3.003 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000685420547 549756711 /nfs/dbraw/zinc/75/67/11/549756711.db2.gz IBADXPFIHHUWKA-MZVJPZDCSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000685420547 549756714 /nfs/dbraw/zinc/75/67/14/549756714.db2.gz IBADXPFIHHUWKA-MZVJPZDCSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000685420547 549756716 /nfs/dbraw/zinc/75/67/16/549756716.db2.gz IBADXPFIHHUWKA-MZVJPZDCSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000685420547 549756719 /nfs/dbraw/zinc/75/67/19/549756719.db2.gz IBADXPFIHHUWKA-MZVJPZDCSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nccc4ccccc43)C2)CC1 ZINC000685462791 549765454 /nfs/dbraw/zinc/76/54/54/549765454.db2.gz DQNRHZODZPUQDB-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000685662246 549786768 /nfs/dbraw/zinc/78/67/68/549786768.db2.gz XZDQDWLVOSPMQL-IEBWSBKVSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685662246 549786771 /nfs/dbraw/zinc/78/67/71/549786771.db2.gz XZDQDWLVOSPMQL-IEBWSBKVSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685662246 549786775 /nfs/dbraw/zinc/78/67/75/549786775.db2.gz XZDQDWLVOSPMQL-IEBWSBKVSA-N 2 1 317.521 3.358 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000685664689 549787390 /nfs/dbraw/zinc/78/73/90/549787390.db2.gz CKBLHGNQACINRQ-YSTOQKLRSA-N 2 1 316.489 3.302 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000685849910 549799592 /nfs/dbraw/zinc/79/95/92/549799592.db2.gz LVGAXPXEACCDLA-GOSISDBHSA-N 2 1 302.462 3.247 20 0 DGADMP c1csc(-c2ccn(C[N@@H+]3CCC[C@H](n4ccnc4)C3)n2)c1 ZINC000738158669 574860226 /nfs/dbraw/zinc/86/02/26/574860226.db2.gz OTCSGXMBHPZMSJ-AWEZNQCLSA-N 2 1 313.430 3.103 20 0 DGADMP c1csc(-c2ccn(C[N@H+]3CCC[C@H](n4ccnc4)C3)n2)c1 ZINC000738158669 574860229 /nfs/dbraw/zinc/86/02/29/574860229.db2.gz OTCSGXMBHPZMSJ-AWEZNQCLSA-N 2 1 313.430 3.103 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000743862018 575066184 /nfs/dbraw/zinc/06/61/84/575066184.db2.gz BVKZFVWYMKUJOB-AZUAARDMSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000743862018 575066185 /nfs/dbraw/zinc/06/61/85/575066185.db2.gz BVKZFVWYMKUJOB-AZUAARDMSA-N 2 1 316.489 3.287 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000729681327 575260116 /nfs/dbraw/zinc/26/01/16/575260116.db2.gz RPAMBMPPXSKQJS-LBPRGKRZSA-N 2 1 307.825 3.279 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000746706271 575471415 /nfs/dbraw/zinc/47/14/15/575471415.db2.gz NUQBFXITRAQLQW-VAMGGRTRSA-N 2 1 316.489 3.101 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000746706271 575471417 /nfs/dbraw/zinc/47/14/17/575471417.db2.gz NUQBFXITRAQLQW-VAMGGRTRSA-N 2 1 316.489 3.101 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000748763775 575605419 /nfs/dbraw/zinc/60/54/19/575605419.db2.gz BDEZHCIZERYCAB-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc(C)[nH+]1 ZINC000310483680 575932070 /nfs/dbraw/zinc/93/20/70/575932070.db2.gz FJCLYPNGQZTWGN-CEXWTWQISA-N 2 1 322.456 3.416 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc(C)[nH+]1 ZINC000310483680 575932072 /nfs/dbraw/zinc/93/20/72/575932072.db2.gz FJCLYPNGQZTWGN-CEXWTWQISA-N 2 1 322.456 3.416 20 0 DGADMP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H](O)c1ccc(C)cc1 ZINC000852746205 620645164 /nfs/dbraw/zinc/64/51/64/620645164.db2.gz JWACGOXYYGVXCT-NRFANRHFSA-N 2 1 324.468 3.196 20 0 DGADMP C[C@H](SC[C@H]1CCC[NH+]1C)[C@H](C)SC[C@H]1CCC[N@H+]1C ZINC000917537068 620672765 /nfs/dbraw/zinc/67/27/65/620672765.db2.gz WOWCLSVIVOKZJR-CAOSSQGBSA-N 2 1 316.580 3.418 20 0 DGADMP Cc1cc(CO)cc(NC2CC[NH+](CC3CCCCC3)CC2)[nH+]1 ZINC000853236413 620680666 /nfs/dbraw/zinc/68/06/66/620680666.db2.gz ABDDFAQIIJPMCK-UHFFFAOYSA-N 2 1 317.477 3.339 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239129 620680985 /nfs/dbraw/zinc/68/09/85/620680985.db2.gz ANHMTCDJHIKSAI-CRAIPNDOSA-N 2 1 304.453 3.468 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806136925 617740655 /nfs/dbraw/zinc/74/06/55/617740655.db2.gz DPDUFJXKIGHQLN-FZMZJTMJSA-N 2 1 304.825 3.153 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(F)cc2C)CC1 ZINC000891611952 617853211 /nfs/dbraw/zinc/85/32/11/617853211.db2.gz ZODDKEOUPJTTPV-UHFFFAOYSA-N 2 1 307.457 3.473 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000926346392 617959371 /nfs/dbraw/zinc/95/93/71/617959371.db2.gz CCMYUYPDPIJPQA-VQIMIIECSA-N 2 1 301.478 3.399 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000892098366 617960606 /nfs/dbraw/zinc/96/06/06/617960606.db2.gz AENGMBGWDQBEKJ-QFBILLFUSA-N 2 1 302.462 3.099 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892134192 617971146 /nfs/dbraw/zinc/97/11/46/617971146.db2.gz XLDFCZSIRDAXPX-INIZCTEOSA-N 2 1 301.478 3.124 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892134192 617971149 /nfs/dbraw/zinc/97/11/49/617971149.db2.gz XLDFCZSIRDAXPX-INIZCTEOSA-N 2 1 301.478 3.124 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892134192 617971153 /nfs/dbraw/zinc/97/11/53/617971153.db2.gz XLDFCZSIRDAXPX-INIZCTEOSA-N 2 1 301.478 3.124 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892134192 617971156 /nfs/dbraw/zinc/97/11/56/617971156.db2.gz XLDFCZSIRDAXPX-INIZCTEOSA-N 2 1 301.478 3.124 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926457807 618025139 /nfs/dbraw/zinc/02/51/39/618025139.db2.gz RLGAQPZXZQPUOJ-YQVWRLOYSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926457807 618025144 /nfs/dbraw/zinc/02/51/44/618025144.db2.gz RLGAQPZXZQPUOJ-YQVWRLOYSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926459127 618025958 /nfs/dbraw/zinc/02/59/58/618025958.db2.gz RLGAQPZXZQPUOJ-ZIFCJYIRSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926459127 618025962 /nfs/dbraw/zinc/02/59/62/618025962.db2.gz RLGAQPZXZQPUOJ-ZIFCJYIRSA-N 2 1 320.525 3.150 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1)C1CCCCC1 ZINC000926651037 618078534 /nfs/dbraw/zinc/07/85/34/618078534.db2.gz NZPCDJSNLHRSAA-OAHLLOKOSA-N 2 1 305.466 3.483 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000926698326 618091990 /nfs/dbraw/zinc/09/19/90/618091990.db2.gz AUFAGNNWNYJMAV-RBUKOAKNSA-N 2 1 302.462 3.265 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nccn2C2CC2)c1 ZINC000892611763 618118459 /nfs/dbraw/zinc/11/84/59/618118459.db2.gz AARCFJSTKWTPAC-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2c(n1)CCCC2 ZINC000892623000 618120594 /nfs/dbraw/zinc/12/05/94/618120594.db2.gz NGNFTVYLXODLFJ-UHFFFAOYSA-N 2 1 313.489 3.233 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H]2C2CC2)cc1F ZINC000854229281 620786292 /nfs/dbraw/zinc/78/62/92/620786292.db2.gz JXSWFHHFJFZBDM-LAQRGFTBSA-N 2 1 318.436 3.058 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]2C2CC2)cc1F ZINC000854229282 620786702 /nfs/dbraw/zinc/78/67/02/620786702.db2.gz JXSWFHHFJFZBDM-ONIAQPFYSA-N 2 1 318.436 3.058 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c2c(n1)CCCC2 ZINC000894457706 618338226 /nfs/dbraw/zinc/33/82/26/618338226.db2.gz DVJRMZADLSVASI-MRXNPFEDSA-N 2 1 301.478 3.089 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000894478497 618350681 /nfs/dbraw/zinc/35/06/81/618350681.db2.gz CKNLZUOGOLQMIC-UHFFFAOYSA-N 2 1 315.465 3.279 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000894478497 618350689 /nfs/dbraw/zinc/35/06/89/618350689.db2.gz CKNLZUOGOLQMIC-UHFFFAOYSA-N 2 1 315.465 3.279 20 0 DGADMP Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495035 618358010 /nfs/dbraw/zinc/35/80/10/618358010.db2.gz IKDXRKLNTVDXED-AUUYWEPGSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495035 618358013 /nfs/dbraw/zinc/35/80/13/618358013.db2.gz IKDXRKLNTVDXED-AUUYWEPGSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495035 618358021 /nfs/dbraw/zinc/35/80/21/618358021.db2.gz IKDXRKLNTVDXED-AUUYWEPGSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495035 618358025 /nfs/dbraw/zinc/35/80/25/618358025.db2.gz IKDXRKLNTVDXED-AUUYWEPGSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495035 618358030 /nfs/dbraw/zinc/35/80/30/618358030.db2.gz IKDXRKLNTVDXED-AUUYWEPGSA-N 2 1 301.478 3.041 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000925079715 618457114 /nfs/dbraw/zinc/45/71/14/618457114.db2.gz NEVRYQGGZBIQHZ-BRWVUGGUSA-N 2 1 316.489 3.473 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[NH+](C)C ZINC000775363391 618498113 /nfs/dbraw/zinc/49/81/13/618498113.db2.gz KELQQKDBEUZTDW-QXSJWSMHSA-N 2 1 316.580 3.322 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925615263 618509797 /nfs/dbraw/zinc/50/97/97/618509797.db2.gz FUGXNWUENXBCHC-YZGWKJHDSA-N 2 1 321.553 3.112 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925615263 618509801 /nfs/dbraw/zinc/50/98/01/618509801.db2.gz FUGXNWUENXBCHC-YZGWKJHDSA-N 3 1 321.553 3.112 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925615263 618509803 /nfs/dbraw/zinc/50/98/03/618509803.db2.gz FUGXNWUENXBCHC-YZGWKJHDSA-N 3 1 321.553 3.112 20 0 DGADMP C[N@H+]1CC[C@H](N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1(C)C ZINC000895114273 618541275 /nfs/dbraw/zinc/54/12/75/618541275.db2.gz JZNMNFHYLWSKDT-ULQDDVLXSA-N 2 1 316.493 3.031 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(OCc2ccncc2)cc1)[NH+](C)C ZINC000895300010 618590492 /nfs/dbraw/zinc/59/04/92/618590492.db2.gz RDJYWTDLTUNVLV-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893566711 618603943 /nfs/dbraw/zinc/60/39/43/618603943.db2.gz GLUOYIXCTHCBFO-RBUKOAKNSA-N 2 1 320.452 3.319 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780196 618617823 /nfs/dbraw/zinc/61/78/23/618617823.db2.gz SBJFTIZFXBAXMD-ZFWWWQNUSA-N 2 1 312.404 3.371 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1sccc1Br ZINC000925791152 618620446 /nfs/dbraw/zinc/62/04/46/618620446.db2.gz ODUVTTKFJDGVAR-UTLUCORTSA-N 2 1 303.269 3.017 20 0 DGADMP N[C@@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806607 618623993 /nfs/dbraw/zinc/62/39/93/618623993.db2.gz FXKGQBPIWQWWEV-RTBURBONSA-N 2 1 301.478 3.281 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CCCC34CC[NH+](C)CC4)ccc2O1 ZINC000893858209 618666867 /nfs/dbraw/zinc/66/68/67/618666867.db2.gz QXVOCKKNMFFFLM-HNNXBMFYSA-N 2 1 300.446 3.070 20 0 DGADMP Cc1cc(CNc2cc(N)[nH+]cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000893910425 618674387 /nfs/dbraw/zinc/67/43/87/618674387.db2.gz FHRFTNKWUOSIFF-UHFFFAOYSA-N 2 1 317.824 3.233 20 0 DGADMP Oc1cccc2sc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000894186949 618726067 /nfs/dbraw/zinc/72/60/67/618726067.db2.gz FKMQDTQWVVPZOJ-QWHCGFSZSA-N 2 1 302.443 3.323 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)C2)CC1 ZINC000894230293 618734432 /nfs/dbraw/zinc/73/44/32/618734432.db2.gz CPEKMCJSBGMOJA-UHFFFAOYSA-N 2 1 322.884 3.248 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)C1CCCC1 ZINC000924968775 618753124 /nfs/dbraw/zinc/75/31/24/618753124.db2.gz FFPMEYKTYBWSEN-VQIMIIECSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)C1CCCC1 ZINC000924968775 618753125 /nfs/dbraw/zinc/75/31/25/618753125.db2.gz FFPMEYKTYBWSEN-VQIMIIECSA-N 2 1 301.478 3.257 20 0 DGADMP CCC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925039082 618772858 /nfs/dbraw/zinc/77/28/58/618772858.db2.gz AGDLBPXITCBTHE-RAFMOHDBSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000895378957 618775881 /nfs/dbraw/zinc/77/58/81/618775881.db2.gz KFOGAWVCSXAFHI-HNAYVOBHSA-N 2 1 312.461 3.182 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000895424465 618783631 /nfs/dbraw/zinc/78/36/31/618783631.db2.gz YNINKIXRPYWNPK-WMZOPIPTSA-N 2 1 302.487 3.307 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000895424465 618783633 /nfs/dbraw/zinc/78/36/33/618783633.db2.gz YNINKIXRPYWNPK-WMZOPIPTSA-N 2 1 302.487 3.307 20 0 DGADMP CSc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000895557451 618798594 /nfs/dbraw/zinc/79/85/94/618798594.db2.gz QSCQPOHFOAADNX-CYBMUJFWSA-N 2 1 303.431 3.107 20 0 DGADMP CSc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000895557451 618798596 /nfs/dbraw/zinc/79/85/96/618798596.db2.gz QSCQPOHFOAADNX-CYBMUJFWSA-N 2 1 303.431 3.107 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)nc2)CCN1c1cc[nH+]cc1 ZINC000895557041 618798736 /nfs/dbraw/zinc/79/87/36/618798736.db2.gz LETFDYNOBFBPIK-CYBMUJFWSA-N 2 1 318.371 3.125 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)nc2)CCN1c1cc[nH+]cc1 ZINC000895557041 618798738 /nfs/dbraw/zinc/79/87/38/618798738.db2.gz LETFDYNOBFBPIK-CYBMUJFWSA-N 2 1 318.371 3.125 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCC[C@H]4CCO4)C[C@H]3C2)cc1 ZINC000895792885 618831416 /nfs/dbraw/zinc/83/14/16/618831416.db2.gz PWERJYGPCNLPGJ-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000909598695 619053828 /nfs/dbraw/zinc/05/38/28/619053828.db2.gz UOZNZXRNGZHXFS-SFHVURJKSA-N 2 1 315.461 3.012 20 0 DGADMP CSc1cc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)ccn1 ZINC000925295826 619150850 /nfs/dbraw/zinc/15/08/50/619150850.db2.gz SSAYGJOADOPWDF-UHFFFAOYSA-N 2 1 307.507 3.404 20 0 DGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000841029766 619166239 /nfs/dbraw/zinc/16/62/39/619166239.db2.gz AFELNTKCRVKDHD-UHFFFAOYSA-N 2 1 302.393 3.232 20 0 DGADMP CN(C)Cc1cc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000897653610 619171238 /nfs/dbraw/zinc/17/12/38/619171238.db2.gz ULTKRAHGYGLNFI-OAHLLOKOSA-N 2 1 323.868 3.213 20 0 DGADMP CN(C)Cc1cc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)ccc1Cl ZINC000897653610 619171241 /nfs/dbraw/zinc/17/12/41/619171241.db2.gz ULTKRAHGYGLNFI-OAHLLOKOSA-N 2 1 323.868 3.213 20 0 DGADMP c1cn(-c2csc(C[NH+]3CCC([NH2+]C4CCC4)CC3)c2)cn1 ZINC000897982003 619202926 /nfs/dbraw/zinc/20/29/26/619202926.db2.gz UNRPVCKACACNDP-UHFFFAOYSA-N 2 1 316.474 3.040 20 0 DGADMP FC1(F)CCC(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000898032489 619207866 /nfs/dbraw/zinc/20/78/66/619207866.db2.gz RWLAIDIRGOZQDX-INIZCTEOSA-N 2 1 316.436 3.045 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC34CCCC4)CC2)cc1 ZINC000898111779 619214849 /nfs/dbraw/zinc/21/48/49/619214849.db2.gz LXDUDQIDBWSVMY-LJQANCHMSA-N 2 1 314.473 3.342 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)no1 ZINC000898518684 619283584 /nfs/dbraw/zinc/28/35/84/619283584.db2.gz JEWWEDFBPYRHDC-FGTMMUONSA-N 2 1 311.429 3.065 20 0 DGADMP c1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000898520385 619283887 /nfs/dbraw/zinc/28/38/87/619283887.db2.gz XJEXCVCYLYCRSH-FGTMMUONSA-N 2 1 311.429 3.065 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898521400 619284152 /nfs/dbraw/zinc/28/41/52/619284152.db2.gz CFNAHRZLECBLRN-ABHMUUKNSA-N 2 1 314.473 3.054 20 0 DGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522071 619284166 /nfs/dbraw/zinc/28/41/66/619284166.db2.gz KBNKDJRSKMLLQJ-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1(Cl)CC1 ZINC000924778644 619454967 /nfs/dbraw/zinc/45/49/67/619454967.db2.gz VLVAMLDRISJUMM-LSDHHAIUSA-N 2 1 322.880 3.157 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1(Cl)CC1 ZINC000924778644 619454968 /nfs/dbraw/zinc/45/49/68/619454968.db2.gz VLVAMLDRISJUMM-LSDHHAIUSA-N 2 1 322.880 3.157 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000902318304 619614380 /nfs/dbraw/zinc/61/43/80/619614380.db2.gz GRZRPXDFLTZGNU-OALUTQOASA-N 2 1 315.505 3.191 20 0 DGADMP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348302 619620094 /nfs/dbraw/zinc/62/00/94/619620094.db2.gz UHRGDAPPWHCYCT-HUUCEWRRSA-N 2 1 314.477 3.485 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000902359191 619627187 /nfs/dbraw/zinc/62/71/87/619627187.db2.gz FXBCJQAEAZHNID-DLBZAZTESA-N 2 1 319.493 3.174 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000902400894 619631852 /nfs/dbraw/zinc/63/18/52/619631852.db2.gz XMHDFRSGUNEYEP-DLBZAZTESA-N 2 1 324.472 3.227 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)C1 ZINC000902402667 619632153 /nfs/dbraw/zinc/63/21/53/619632153.db2.gz AQZVHYOFRDCVTH-CQSZACIVSA-N 2 1 316.474 3.073 20 0 DGADMP [NH3+]C1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000902405534 619632451 /nfs/dbraw/zinc/63/24/51/619632451.db2.gz IOGYKOYFNKBVNA-NSHDSACASA-N 2 1 301.253 3.043 20 0 DGADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902418695 619632959 /nfs/dbraw/zinc/63/29/59/619632959.db2.gz YLUWXVPKXFSVKV-JTQLQIEISA-N 2 1 305.422 3.400 20 0 DGADMP CNc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902478465 619639029 /nfs/dbraw/zinc/63/90/29/619639029.db2.gz WYGLBUICFBORTO-NVXWUHKLSA-N 2 1 301.478 3.471 20 0 DGADMP C[C@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902481797 619645298 /nfs/dbraw/zinc/64/52/98/619645298.db2.gz HDIQTNJSVKPNFK-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000902730203 619666772 /nfs/dbraw/zinc/66/67/72/619666772.db2.gz ANQXYLORDITGAM-AWEZNQCLSA-N 2 1 316.445 3.059 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(=O)OC)cc2C)C1 ZINC000902761672 619672101 /nfs/dbraw/zinc/67/21/01/619672101.db2.gz WUAGBKFCPZZFPI-HOTGVXAUSA-N 2 1 318.461 3.164 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902788990 619676700 /nfs/dbraw/zinc/67/67/00/619676700.db2.gz BSKSQSYNMJAEEV-ATZDWAIDSA-N 2 1 319.493 3.403 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCCC1 ZINC000903038713 619705481 /nfs/dbraw/zinc/70/54/81/619705481.db2.gz MFNICHKLTUNNGB-WKWVNEEDSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903072300 619715376 /nfs/dbraw/zinc/71/53/76/619715376.db2.gz IGKXXCLTZVNAJU-JTDSTZFVSA-N 2 1 301.478 3.490 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903072300 619715379 /nfs/dbraw/zinc/71/53/79/619715379.db2.gz IGKXXCLTZVNAJU-JTDSTZFVSA-N 2 1 301.478 3.490 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903073355 619715600 /nfs/dbraw/zinc/71/56/00/619715600.db2.gz ONSUSKRQWIPYIL-SEJJLSGZSA-N 2 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903073355 619715603 /nfs/dbraw/zinc/71/56/03/619715603.db2.gz ONSUSKRQWIPYIL-SEJJLSGZSA-N 2 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903073355 619715606 /nfs/dbraw/zinc/71/56/06/619715606.db2.gz ONSUSKRQWIPYIL-SEJJLSGZSA-N 2 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903073355 619715607 /nfs/dbraw/zinc/71/56/07/619715607.db2.gz ONSUSKRQWIPYIL-SEJJLSGZSA-N 3 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903073355 619715608 /nfs/dbraw/zinc/71/56/08/619715608.db2.gz ONSUSKRQWIPYIL-SEJJLSGZSA-N 3 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903073355 619715610 /nfs/dbraw/zinc/71/56/10/619715610.db2.gz ONSUSKRQWIPYIL-SEJJLSGZSA-N 3 1 319.537 3.102 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903073355 619715612 /nfs/dbraw/zinc/71/56/12/619715612.db2.gz ONSUSKRQWIPYIL-SEJJLSGZSA-N 3 1 319.537 3.102 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1C ZINC000903096203 619719442 /nfs/dbraw/zinc/71/94/42/619719442.db2.gz ATXVIQBZHGONIG-LHHMMCJZSA-N 2 1 308.510 3.290 20 0 DGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903125539 619722222 /nfs/dbraw/zinc/72/22/22/619722222.db2.gz NEQOCRLWHQSPBP-HMGCCCKFSA-N 2 1 306.494 3.328 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903132007 619722330 /nfs/dbraw/zinc/72/23/30/619722330.db2.gz VRDRQZPTAJDMGO-HJYMDDGLSA-N 2 1 306.494 3.328 20 0 DGADMP Cc1cnc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903153057 619725514 /nfs/dbraw/zinc/72/55/14/619725514.db2.gz PSOXTPRRODRPEU-DITUJHHDSA-N 2 1 305.491 3.302 20 0 DGADMP CCSc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccn1 ZINC000903154659 619726353 /nfs/dbraw/zinc/72/63/53/619726353.db2.gz VBZMBOCZFBVGRX-ZXFUBFMLSA-N 2 1 317.502 3.441 20 0 DGADMP CCSc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccn1 ZINC000903154659 619726354 /nfs/dbraw/zinc/72/63/54/619726354.db2.gz VBZMBOCZFBVGRX-ZXFUBFMLSA-N 2 1 317.502 3.441 20 0 DGADMP FC(F)OC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903188072 619736979 /nfs/dbraw/zinc/73/69/79/619736979.db2.gz XOEARWYLBTUKNL-JBFPEKOLSA-N 2 1 314.420 3.284 20 0 DGADMP C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC[NH+]1C1CCCCC1 ZINC000903205336 619738033 /nfs/dbraw/zinc/73/80/33/619738033.db2.gz HBYSQMCNZYLILI-HAYQSNGGSA-N 2 1 317.521 3.141 20 0 DGADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000903205336 619738035 /nfs/dbraw/zinc/73/80/35/619738035.db2.gz HBYSQMCNZYLILI-HAYQSNGGSA-N 2 1 317.521 3.141 20 0 DGADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000903205336 619738037 /nfs/dbraw/zinc/73/80/37/619738037.db2.gz HBYSQMCNZYLILI-HAYQSNGGSA-N 2 1 317.521 3.141 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903217361 619740235 /nfs/dbraw/zinc/74/02/35/619740235.db2.gz VPIDQFXRDJBFEH-FPVZDTGUSA-N 2 1 314.473 3.246 20 0 DGADMP C[C@H]1[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000903301477 619753761 /nfs/dbraw/zinc/75/37/61/619753761.db2.gz RBLGOSOFSADRRT-DOTOQJQBSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCN1C ZINC000903301477 619753764 /nfs/dbraw/zinc/75/37/64/619753764.db2.gz RBLGOSOFSADRRT-DOTOQJQBSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000903444051 619777623 /nfs/dbraw/zinc/77/76/23/619777623.db2.gz OKJIMSVOBORYBP-LMCOJAPRSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000903444051 619777624 /nfs/dbraw/zinc/77/76/24/619777624.db2.gz OKJIMSVOBORYBP-LMCOJAPRSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000903444051 619777627 /nfs/dbraw/zinc/77/76/27/619777627.db2.gz OKJIMSVOBORYBP-LMCOJAPRSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444051 619777628 /nfs/dbraw/zinc/77/76/28/619777628.db2.gz OKJIMSVOBORYBP-LMCOJAPRSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444051 619777630 /nfs/dbraw/zinc/77/76/30/619777630.db2.gz OKJIMSVOBORYBP-LMCOJAPRSA-N 3 1 315.505 3.099 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)[C@@H]1c1ccccc1 ZINC000903446098 619778108 /nfs/dbraw/zinc/77/81/08/619778108.db2.gz SXCPCZAMNOZSPW-FJIDUMEYSA-N 2 1 320.427 3.499 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@@H]21 ZINC000903447567 619778248 /nfs/dbraw/zinc/77/82/48/619778248.db2.gz YHCVYYGFLNJKEQ-FIDHJVLJSA-N 2 1 306.400 3.095 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1C(F)(F)F ZINC000903474439 619780046 /nfs/dbraw/zinc/78/00/46/619780046.db2.gz MBOICOXZUOMSKP-KGLIPLIRSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1C(F)(F)F ZINC000903474439 619780048 /nfs/dbraw/zinc/78/00/48/619780048.db2.gz MBOICOXZUOMSKP-KGLIPLIRSA-N 2 1 311.351 3.127 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482453 619781194 /nfs/dbraw/zinc/78/11/94/619781194.db2.gz IJOCSYOGDQFJDI-HLLBOEOZSA-N 2 1 320.502 3.031 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903565247 619783623 /nfs/dbraw/zinc/78/36/23/619783623.db2.gz HPUGIMVZFZTTQD-CQSZACIVSA-N 2 1 307.507 3.330 20 0 DGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717814 619803149 /nfs/dbraw/zinc/80/31/49/619803149.db2.gz DOADIWQTAMVSHH-HXUWFJFHSA-N 2 1 324.468 3.430 20 0 DGADMP C[N@@H+](CCOc1ccc(F)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000903717124 619803197 /nfs/dbraw/zinc/80/31/97/619803197.db2.gz HDQDVEYTQJDGNZ-UHFFFAOYSA-N 2 1 300.805 3.060 20 0 DGADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000903722512 619803577 /nfs/dbraw/zinc/80/35/77/619803577.db2.gz LYBZRFBDLVAZOU-MAUKXSAKSA-N 2 1 320.452 3.367 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]2CCCC[C@H]12 ZINC000903722180 619803594 /nfs/dbraw/zinc/80/35/94/619803594.db2.gz IIYSEUZNMRTZOU-XMTFNYHQSA-N 2 1 306.494 3.046 20 0 DGADMP CCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000903724821 619804638 /nfs/dbraw/zinc/80/46/38/619804638.db2.gz QVFRAJCTDOCPOP-YSIASYRMSA-N 2 1 314.473 3.155 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725159 619804678 /nfs/dbraw/zinc/80/46/78/619804678.db2.gz XLIISFADXJEHNR-WMLDXEAASA-N 2 1 322.880 3.492 20 0 DGADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725431 619805043 /nfs/dbraw/zinc/80/50/43/619805043.db2.gz ZOGIPEUMCMMTEP-IBGZPJMESA-N 2 1 324.468 3.430 20 0 DGADMP CCC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000903726749 619805115 /nfs/dbraw/zinc/80/51/15/619805115.db2.gz OFCJVJVJOYMGKQ-DLBZAZTESA-N 2 1 317.477 3.115 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000903726749 619805118 /nfs/dbraw/zinc/80/51/18/619805118.db2.gz OFCJVJVJOYMGKQ-DLBZAZTESA-N 2 1 317.477 3.115 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730235 619805412 /nfs/dbraw/zinc/80/54/12/619805412.db2.gz UVKPVUVMPUNJPR-NZSAHSFTSA-N 2 1 314.473 3.023 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903727884 619805492 /nfs/dbraw/zinc/80/54/92/619805492.db2.gz YPSJDNCKMOIYJI-WMZOPIPTSA-N 2 1 302.462 3.092 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCCC2(CCCCC2)C1 ZINC000903729893 619805651 /nfs/dbraw/zinc/80/56/51/619805651.db2.gz SJCMSIXEDNWYIR-KRWDZBQOSA-N 2 1 306.494 3.191 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2CF)C1 ZINC000903768405 619810007 /nfs/dbraw/zinc/81/00/07/619810007.db2.gz MPGONQDIYPHAIT-SQNIBIBYSA-N 2 1 306.425 3.017 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2CF)C1 ZINC000903768402 619810314 /nfs/dbraw/zinc/81/03/14/619810314.db2.gz MPGONQDIYPHAIT-FGTMMUONSA-N 2 1 306.425 3.017 20 0 DGADMP Fc1ccc(C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C2CCOCC2)cc1 ZINC000903756852 619810515 /nfs/dbraw/zinc/81/05/15/619810515.db2.gz WVAVGOLZMZFSPZ-QGZVFWFLSA-N 2 1 320.452 3.196 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903755550 619810727 /nfs/dbraw/zinc/81/07/27/619810727.db2.gz JFEZUSRGGIOIEZ-IHPCNDPISA-N 2 1 314.473 3.209 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903755551 619810786 /nfs/dbraw/zinc/81/07/86/619810786.db2.gz JFEZUSRGGIOIEZ-YSIASYRMSA-N 2 1 314.473 3.209 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903780867 619812494 /nfs/dbraw/zinc/81/24/94/619812494.db2.gz MVFCHRJFBLJYCD-GJZGRUSLSA-N 2 1 318.461 3.013 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903780867 619812497 /nfs/dbraw/zinc/81/24/97/619812497.db2.gz MVFCHRJFBLJYCD-GJZGRUSLSA-N 2 1 318.461 3.013 20 0 DGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903786660 619814013 /nfs/dbraw/zinc/81/40/13/619814013.db2.gz NNMRKOSWQLZRJY-GTAWCEEGSA-N 2 1 314.473 3.023 20 0 DGADMP CC(C)(C)n1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810339 619817999 /nfs/dbraw/zinc/81/79/99/619817999.db2.gz BEXQXUWEFGVREZ-MRXNPFEDSA-N 2 1 304.482 3.122 20 0 DGADMP CC(C)(C)n1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810339 619818000 /nfs/dbraw/zinc/81/80/00/619818000.db2.gz BEXQXUWEFGVREZ-MRXNPFEDSA-N 2 1 304.482 3.122 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000903843636 619822752 /nfs/dbraw/zinc/82/27/52/619822752.db2.gz OVCWYZIJTQVPQR-PEYYIBSZSA-N 2 1 317.433 3.261 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000903843636 619822755 /nfs/dbraw/zinc/82/27/55/619822755.db2.gz OVCWYZIJTQVPQR-PEYYIBSZSA-N 2 1 317.433 3.261 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1coc(-c3cccc(Cl)c3)n1)C2 ZINC000903846714 619823234 /nfs/dbraw/zinc/82/32/34/619823234.db2.gz QKWTWOWMKBQPFV-PJODQICGSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1coc(-c3cccc(Cl)c3)n1)C2 ZINC000903846714 619823239 /nfs/dbraw/zinc/82/32/39/619823239.db2.gz QKWTWOWMKBQPFV-PJODQICGSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000903847980 619823718 /nfs/dbraw/zinc/82/37/18/619823718.db2.gz NEZMNXJSWNLWSP-CQDKDKBSSA-N 2 1 301.821 3.200 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000903847980 619823724 /nfs/dbraw/zinc/82/37/24/619823724.db2.gz NEZMNXJSWNLWSP-CQDKDKBSSA-N 2 1 301.821 3.200 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903857907 619825233 /nfs/dbraw/zinc/82/52/33/619825233.db2.gz GMOWEGCKQSIKHI-AKHDSKFASA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903857907 619825234 /nfs/dbraw/zinc/82/52/34/619825234.db2.gz GMOWEGCKQSIKHI-AKHDSKFASA-N 2 1 300.446 3.110 20 0 DGADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878214 619827828 /nfs/dbraw/zinc/82/78/28/619827828.db2.gz SWMFCTCNXBKOOL-ALOPSCKCSA-N 2 1 318.461 3.056 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892781 619829272 /nfs/dbraw/zinc/82/92/72/619829272.db2.gz WNSFPCSTXYBIEI-MMNRESRNSA-N 2 1 300.446 3.363 20 0 DGADMP Fc1cccc(F)c1C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903912948 619833657 /nfs/dbraw/zinc/83/36/57/619833657.db2.gz KQFQKCOUUZGDDP-AGUYFDCRSA-N 2 1 306.400 3.460 20 0 DGADMP C[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000903924940 619834806 /nfs/dbraw/zinc/83/48/06/619834806.db2.gz AAYKTLJPPAQDOY-CABZTGNLSA-N 2 1 310.310 3.381 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959789 619839885 /nfs/dbraw/zinc/83/98/85/619839885.db2.gz OJOUAWPZUIEUED-IBGZPJMESA-N 2 1 310.445 3.042 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000903946096 619843440 /nfs/dbraw/zinc/84/34/40/619843440.db2.gz JSVYYAQMGONDCB-UHFFFAOYSA-N 2 1 304.482 3.171 20 0 DGADMP CCc1oc2ccccc2c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955172 619846526 /nfs/dbraw/zinc/84/65/26/619846526.db2.gz LYTROTSKOVOUQI-GFCCVEGCSA-N 2 1 308.372 3.330 20 0 DGADMP CC(C)c1ccc(CC[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973500 619847352 /nfs/dbraw/zinc/84/73/52/619847352.db2.gz PBAOPKPNLXNNMX-LJQANCHMSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973144 619847525 /nfs/dbraw/zinc/84/75/25/619847525.db2.gz OYTSECTVCPYDEX-IEBWSBKVSA-N 2 1 316.489 3.004 20 0 DGADMP CC(C)(C)C1CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903975022 619847975 /nfs/dbraw/zinc/84/79/75/619847975.db2.gz YWEOOYABSWVLGY-JCYILVPMSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000903974953 619848146 /nfs/dbraw/zinc/84/81/46/619848146.db2.gz XOYZWHXHIWQXGZ-RHSMWYFYSA-N 2 1 322.880 3.192 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC[NH2+]1 ZINC000903987765 619852344 /nfs/dbraw/zinc/85/23/44/619852344.db2.gz IPGGIPGELKAPEW-RBSFLKMASA-N 2 1 319.518 3.199 20 0 DGADMP Clc1ccc(NC[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000903988415 619852507 /nfs/dbraw/zinc/85/25/07/619852507.db2.gz QTIUUTUMTLEVAC-MRXNPFEDSA-N 2 1 321.896 3.464 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000904315428 619912751 /nfs/dbraw/zinc/91/27/51/619912751.db2.gz CESZRZFSODYNOU-NVBFEUDRSA-N 2 1 315.244 3.104 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000904315428 619912752 /nfs/dbraw/zinc/91/27/52/619912752.db2.gz CESZRZFSODYNOU-NVBFEUDRSA-N 2 1 315.244 3.104 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CCC[NH2+]C1 ZINC000904327723 619913800 /nfs/dbraw/zinc/91/38/00/619913800.db2.gz HZFVTZGGMFDNIA-OTWHNJEPSA-N 2 1 320.452 3.103 20 0 DGADMP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000904327839 619913964 /nfs/dbraw/zinc/91/39/64/619913964.db2.gz JBQVCNALGZPPEW-SOLBZPMBSA-N 2 1 307.526 3.089 20 0 DGADMP Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904346075 619914989 /nfs/dbraw/zinc/91/49/89/619914989.db2.gz QBDYLEPFDKWQDB-HLAWJBBLSA-N 2 1 324.468 3.268 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000904351568 619915688 /nfs/dbraw/zinc/91/56/88/619915688.db2.gz YNLDQAQBBBJLHV-BYCMXARLSA-N 2 1 316.342 3.313 20 0 DGADMP COCCC1([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[NH2+]CC1 ZINC000904385514 619919204 /nfs/dbraw/zinc/91/92/04/619919204.db2.gz XWAJGDQUTOODKM-UHFFFAOYSA-N 2 1 316.367 3.012 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904410125 619920476 /nfs/dbraw/zinc/92/04/76/619920476.db2.gz BCQCJDIFYIQQMT-ZYHUDNBSSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(C[NH+](C)C)c1 ZINC000924798606 619923082 /nfs/dbraw/zinc/92/30/82/619923082.db2.gz AKFQADABRWOKCI-ZDUSSCGKSA-N 2 1 314.458 3.308 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)cc2ccccc21 ZINC000904471341 619924865 /nfs/dbraw/zinc/92/48/65/619924865.db2.gz HMHWUEVOOZMXHR-SMDDNHRTSA-N 2 1 308.372 3.482 20 0 DGADMP c1cn(C2CC[NH+](Cn3ccc(-c4ccsc4)n3)CC2)cn1 ZINC000152083906 620490962 /nfs/dbraw/zinc/49/09/62/620490962.db2.gz MBNJGIJOOQUUBP-UHFFFAOYSA-N 2 1 313.430 3.103 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921530968 620903581 /nfs/dbraw/zinc/90/35/81/620903581.db2.gz AQBJSRAQTGPBEG-AWEZNQCLSA-N 2 1 317.433 3.278 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921531017 620903715 /nfs/dbraw/zinc/90/37/15/620903715.db2.gz AUGRQFXUYUFZHA-NCXUSEDFSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921537750 620904114 /nfs/dbraw/zinc/90/41/14/620904114.db2.gz YYWIFNWTVIMHMG-INIZCTEOSA-N 2 1 304.482 3.210 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)ccc2O1 ZINC000921564594 620908723 /nfs/dbraw/zinc/90/87/23/620908723.db2.gz WDCGCKMTWJZQEC-CQSZACIVSA-N 2 1 302.462 3.363 20 0 DGADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C2CCCC2)n1 ZINC000922170631 620999866 /nfs/dbraw/zinc/99/98/66/620999866.db2.gz HEWGLOCNOCFGPY-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP CS[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182030 621002259 /nfs/dbraw/zinc/00/22/59/621002259.db2.gz DREIFLYKMILMIL-MHORFTMASA-N 2 1 319.518 3.338 20 0 DGADMP CS[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182030 621002262 /nfs/dbraw/zinc/00/22/62/621002262.db2.gz DREIFLYKMILMIL-MHORFTMASA-N 2 1 319.518 3.338 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCCC3)C2)ccn1 ZINC000856552063 621004329 /nfs/dbraw/zinc/00/43/29/621004329.db2.gz GNKBONMKZMTWAF-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000856552063 621004333 /nfs/dbraw/zinc/00/43/33/621004333.db2.gz GNKBONMKZMTWAF-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000856552063 621004335 /nfs/dbraw/zinc/00/43/35/621004335.db2.gz GNKBONMKZMTWAF-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3C[C@H]3C)C2)ccn1 ZINC000856559147 621005086 /nfs/dbraw/zinc/00/50/86/621005086.db2.gz NKCQBMPHOVLHNO-GJYPPUQNSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3C[C@H]3C)C2)ccn1 ZINC000856559147 621005089 /nfs/dbraw/zinc/00/50/89/621005089.db2.gz NKCQBMPHOVLHNO-GJYPPUQNSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3C[C@H]3C)C2)ccn1 ZINC000856559147 621005092 /nfs/dbraw/zinc/00/50/92/621005092.db2.gz NKCQBMPHOVLHNO-GJYPPUQNSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/Cl)C2)ccn1 ZINC000856597205 621006746 /nfs/dbraw/zinc/00/67/46/621006746.db2.gz FRFQGAYTKCPKNI-BBOMDTFKSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/Cl)C2)ccn1 ZINC000856597205 621006750 /nfs/dbraw/zinc/00/67/50/621006750.db2.gz FRFQGAYTKCPKNI-BBOMDTFKSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C/Cl)C2)ccn1 ZINC000856597205 621006753 /nfs/dbraw/zinc/00/67/53/621006753.db2.gz FRFQGAYTKCPKNI-BBOMDTFKSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C/Cl)C2)ccn1 ZINC000856597205 621006755 /nfs/dbraw/zinc/00/67/55/621006755.db2.gz FRFQGAYTKCPKNI-BBOMDTFKSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C3CCCC3)C2)ccn1 ZINC000856603185 621007628 /nfs/dbraw/zinc/00/76/28/621007628.db2.gz DDCWITUGYXTVBR-LJQANCHMSA-N 2 1 317.477 3.318 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C3CCCC3)C2)ccn1 ZINC000856603185 621007633 /nfs/dbraw/zinc/00/76/33/621007633.db2.gz DDCWITUGYXTVBR-LJQANCHMSA-N 2 1 317.477 3.318 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C3CCCC3)C2)ccn1 ZINC000856603185 621007639 /nfs/dbraw/zinc/00/76/39/621007639.db2.gz DDCWITUGYXTVBR-LJQANCHMSA-N 2 1 317.477 3.318 20 0 DGADMP FC1(F)[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000922773657 621098430 /nfs/dbraw/zinc/09/84/30/621098430.db2.gz YWTJQVQQKRONKR-QZWWFDLISA-N 2 1 306.400 3.252 20 0 DGADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCO1 ZINC000922817519 621104465 /nfs/dbraw/zinc/10/44/65/621104465.db2.gz QTMAOGKLMQLTLW-LJQANCHMSA-N 2 1 302.462 3.200 20 0 DGADMP Cc1ccc(NCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000922935904 621133744 /nfs/dbraw/zinc/13/37/44/621133744.db2.gz ZLYOODQIUNQNAW-UHFFFAOYSA-N 2 1 324.472 3.056 20 0 DGADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccsc2)O1 ZINC000923316251 621174771 /nfs/dbraw/zinc/17/47/71/621174771.db2.gz FWEXCMLINVWKGU-LRVKYRPXSA-N 2 1 320.502 3.431 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccsc2)O1 ZINC000923316250 621174911 /nfs/dbraw/zinc/17/49/11/621174911.db2.gz FWEXCMLINVWKGU-LHCMDFTLSA-N 2 1 320.502 3.431 20 0 DGADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000923336575 621176800 /nfs/dbraw/zinc/17/68/00/621176800.db2.gz WJBVLRFZDHGJAA-SWLSCSKDSA-N 2 1 317.260 3.101 20 0 DGADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923391656 621180931 /nfs/dbraw/zinc/18/09/31/621180931.db2.gz ZIYOEKZKVVYQLW-DMTQGNSDSA-N 2 1 306.494 3.188 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000923401474 621181924 /nfs/dbraw/zinc/18/19/24/621181924.db2.gz NNXOVGSCHGSQHD-KBPBESRZSA-N 2 1 304.400 3.416 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923414152 621182192 /nfs/dbraw/zinc/18/21/92/621182192.db2.gz KLMAOYBULOHAMG-SOXMVSPVSA-N 2 1 318.436 3.200 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000923415115 621182496 /nfs/dbraw/zinc/18/24/96/621182496.db2.gz PZFJWNKWVDYJNO-INIZCTEOSA-N 2 1 302.462 3.407 20 0 DGADMP CCc1ncc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000923422858 621182788 /nfs/dbraw/zinc/18/27/88/621182788.db2.gz UDUVJKOUWFAFGU-PBHICJAKSA-N 2 1 305.466 3.357 20 0 DGADMP CC1([NH+]2CCCCC2)CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923419399 621184027 /nfs/dbraw/zinc/18/40/27/621184027.db2.gz BGKIGFHLTIUJDD-YQQQUEKLSA-N 2 1 319.537 3.248 20 0 DGADMP C[NH+](C)CCCOc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858401015 621185861 /nfs/dbraw/zinc/18/58/61/621185861.db2.gz WRCFBLWMXOCSNH-KRWDZBQOSA-N 2 1 319.493 3.302 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000923486900 621187111 /nfs/dbraw/zinc/18/71/11/621187111.db2.gz VFQIKWLJGRYAFJ-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1C[NH3+] ZINC000923502495 621188719 /nfs/dbraw/zinc/18/87/19/621188719.db2.gz ZZEOEKIIKWERQX-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC000923499335 621189093 /nfs/dbraw/zinc/18/90/93/621189093.db2.gz SBWBBIUYXQJFTO-PWSUYJOCSA-N 2 1 315.230 3.005 20 0 DGADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923506516 621189819 /nfs/dbraw/zinc/18/98/19/621189819.db2.gz JFKYCGFVEYYUME-HNNXBMFYSA-N 2 1 305.466 3.400 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858491143 621197536 /nfs/dbraw/zinc/19/75/36/621197536.db2.gz YWLRETHETUUEEO-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP Cc1ncsc1CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212415 621261131 /nfs/dbraw/zinc/26/11/31/621261131.db2.gz JIIJCWXTXCPIOM-UHFFFAOYSA-N 2 1 303.475 3.188 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2F)cc1 ZINC000859214977 621261195 /nfs/dbraw/zinc/26/11/95/621261195.db2.gz WHRSZZHPOOHFIM-LJQANCHMSA-N 2 1 316.420 3.053 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000859216194 621261768 /nfs/dbraw/zinc/26/17/68/621261768.db2.gz ZGEQRBBTGMQZTD-CQSZACIVSA-N 2 1 301.261 3.374 20 0 DGADMP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Cl)n1 ZINC000838792210 621281589 /nfs/dbraw/zinc/28/15/89/621281589.db2.gz FOCWBXNEGDZNQL-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cc2ccccc2s1 ZINC000838978607 621309721 /nfs/dbraw/zinc/30/97/21/621309721.db2.gz ACCLTVXHKAERBS-MRXNPFEDSA-N 2 1 316.470 3.151 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000839182679 621344092 /nfs/dbraw/zinc/34/40/92/621344092.db2.gz OYBHCHDXTCMWBI-GOSISDBHSA-N 2 1 315.505 3.498 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000839183098 621344477 /nfs/dbraw/zinc/34/44/77/621344477.db2.gz TZSNKQYGYJSGRJ-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000839183099 621344614 /nfs/dbraw/zinc/34/46/14/621344614.db2.gz TZSNKQYGYJSGRJ-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ccc(-c4ccccc4)n3)C2)CC1 ZINC000755780681 621593317 /nfs/dbraw/zinc/59/33/17/621593317.db2.gz PYBXCDYCLAKHIH-IBGZPJMESA-N 2 1 324.472 3.171 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000862483075 621594106 /nfs/dbraw/zinc/59/41/06/621594106.db2.gz ONXZVVTYQREJPU-MRXNPFEDSA-N 2 1 318.461 3.153 20 0 DGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000863692218 621701182 /nfs/dbraw/zinc/70/11/82/621701182.db2.gz RYAUGZAGXYMPHN-QGZVFWFLSA-N 2 1 310.445 3.028 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000864055570 621733045 /nfs/dbraw/zinc/73/30/45/621733045.db2.gz SRWPNRFZTRDJBL-NSHDSACASA-N 2 1 317.296 3.378 20 0 DGADMP c1nc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1C1CC1 ZINC000865405477 621911835 /nfs/dbraw/zinc/91/18/35/621911835.db2.gz IXOOUQNNENPOPE-UHFFFAOYSA-N 2 1 310.445 3.104 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865474694 621929820 /nfs/dbraw/zinc/92/98/20/621929820.db2.gz BBQRGFGBUIYRPO-UHFFFAOYSA-N 2 1 313.232 3.463 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)oc2C)[C@H](C)C1 ZINC000120595039 621934561 /nfs/dbraw/zinc/93/45/61/621934561.db2.gz MLOXAHWXMKCIQE-RDTXWAMCSA-N 2 1 308.466 3.123 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)oc2C)[C@H](C)C1 ZINC000120595039 621934563 /nfs/dbraw/zinc/93/45/63/621934563.db2.gz MLOXAHWXMKCIQE-RDTXWAMCSA-N 2 1 308.466 3.123 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865600135 621959571 /nfs/dbraw/zinc/95/95/71/621959571.db2.gz FEUFMEDEXQXSNI-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000760828327 621967032 /nfs/dbraw/zinc/96/70/32/621967032.db2.gz RKIOJJBGHMBPET-AZUAARDMSA-N 2 1 315.505 3.240 20 0 DGADMP COC(C)(C)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000865754841 621988920 /nfs/dbraw/zinc/98/89/20/621988920.db2.gz MNDMBTFAGVFPNV-UHFFFAOYSA-N 2 1 322.468 3.237 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866238356 622073284 /nfs/dbraw/zinc/07/32/84/622073284.db2.gz POOGWIVJVZDPLI-SJORKVTESA-N 2 1 311.473 3.487 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866238354 622073533 /nfs/dbraw/zinc/07/35/33/622073533.db2.gz POOGWIVJVZDPLI-IAGOWNOFSA-N 2 1 311.473 3.487 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000866262947 622079273 /nfs/dbraw/zinc/07/92/73/622079273.db2.gz JDRALCIXYMHQEH-SJORKVTESA-N 2 1 311.473 3.487 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCO1 ZINC000762652244 622089532 /nfs/dbraw/zinc/08/95/32/622089532.db2.gz XPTSQEHONRWCPL-AKHDSKFASA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCO1 ZINC000762652244 622089535 /nfs/dbraw/zinc/08/95/35/622089535.db2.gz XPTSQEHONRWCPL-AKHDSKFASA-N 2 1 308.510 3.436 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000866486722 622125780 /nfs/dbraw/zinc/12/57/80/622125780.db2.gz OYORTISAQKQZOI-DKIMLUQUSA-N 2 1 304.503 3.381 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000866486722 622125783 /nfs/dbraw/zinc/12/57/83/622125783.db2.gz OYORTISAQKQZOI-DKIMLUQUSA-N 2 1 304.503 3.381 20 0 DGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000866536923 622134612 /nfs/dbraw/zinc/13/46/12/622134612.db2.gz XTGJWVKDOMPOKX-SWLSCSKDSA-N 2 1 302.384 3.348 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614301 622147745 /nfs/dbraw/zinc/14/77/45/622147745.db2.gz MJJNMVYPVNYRDG-OWYHZJEWSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614301 622147747 /nfs/dbraw/zinc/14/77/47/622147747.db2.gz MJJNMVYPVNYRDG-OWYHZJEWSA-N 2 1 324.472 3.266 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866635513 622151404 /nfs/dbraw/zinc/15/14/04/622151404.db2.gz RDEJVHXZOHAUBE-QFHJOOASSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000765802254 622288463 /nfs/dbraw/zinc/28/84/63/622288463.db2.gz JXEKYPNYYMFDDK-IBGZPJMESA-N 2 1 314.473 3.217 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000765979244 622297793 /nfs/dbraw/zinc/29/77/93/622297793.db2.gz WPHHVTPIFKKAMG-GDBMZVCRSA-N 2 1 308.491 3.351 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000765979874 622297879 /nfs/dbraw/zinc/29/78/79/622297879.db2.gz XQWLHVPVHSSRIE-KBXCAEBGSA-N 2 1 306.425 3.120 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000765979248 622298139 /nfs/dbraw/zinc/29/81/39/622298139.db2.gz WWTQTQRUVKJKGL-KBXCAEBGSA-N 2 1 306.425 3.120 20 0 DGADMP Cc1cccc(C2(O)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000767407670 622396445 /nfs/dbraw/zinc/39/64/45/622396445.db2.gz WMYGCBGDOTWPOT-SFHVURJKSA-N 2 1 316.489 3.071 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000769335398 622518516 /nfs/dbraw/zinc/51/85/16/622518516.db2.gz WTJYTSPESCEWQO-IBGZPJMESA-N 2 1 316.420 3.053 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769686651 622549218 /nfs/dbraw/zinc/54/92/18/622549218.db2.gz CZAHAHNBVIBVAP-PSBWJHGTSA-N 2 1 308.510 3.434 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1COC2 ZINC000770372633 622625676 /nfs/dbraw/zinc/62/56/76/622625676.db2.gz DKIWQZJQNALQQK-JXFKEZNVSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372633 622625679 /nfs/dbraw/zinc/62/56/79/622625679.db2.gz DKIWQZJQNALQQK-JXFKEZNVSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372633 622625682 /nfs/dbraw/zinc/62/56/82/622625682.db2.gz DKIWQZJQNALQQK-JXFKEZNVSA-N 2 1 312.457 3.166 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](COC(C)C)Cc2ccc(F)cc2)CC1 ZINC000872019061 622755195 /nfs/dbraw/zinc/75/51/95/622755195.db2.gz SXMRNVJHUVFOHL-IBGZPJMESA-N 2 1 322.468 3.236 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCCOC1 ZINC000872035912 622765591 /nfs/dbraw/zinc/76/55/91/622765591.db2.gz ZKXMXYWWYNMZQC-MOPGFXCFSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000872146893 622832878 /nfs/dbraw/zinc/83/28/78/622832878.db2.gz ZYCRLQHJBHAJFV-QGZVFWFLSA-N 2 1 318.509 3.492 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146893 622832886 /nfs/dbraw/zinc/83/28/86/622832886.db2.gz ZYCRLQHJBHAJFV-QGZVFWFLSA-N 2 1 318.509 3.492 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146893 622832896 /nfs/dbraw/zinc/83/28/96/622832896.db2.gz ZYCRLQHJBHAJFV-QGZVFWFLSA-N 2 1 318.509 3.492 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149580 622833325 /nfs/dbraw/zinc/83/33/25/622833325.db2.gz OSXIHEFHKKETBC-DZGCQCFKSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149580 622833326 /nfs/dbraw/zinc/83/33/26/622833326.db2.gz OSXIHEFHKKETBC-DZGCQCFKSA-N 2 1 316.367 3.043 20 0 DGADMP Cc1sc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])c(C)c1C ZINC000872155160 622835147 /nfs/dbraw/zinc/83/51/47/622835147.db2.gz FBZORXCLZNETEV-UHFFFAOYSA-N 2 1 311.495 3.063 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000872155664 622836593 /nfs/dbraw/zinc/83/65/93/622836593.db2.gz YBJJFZUJUQGBLW-HUUCEWRRSA-N 2 1 318.461 3.013 20 0 DGADMP CCc1ccc(-c2noc(C[N@@H+](C)CCCCCC[NH3+])n2)cc1 ZINC000872155479 622837095 /nfs/dbraw/zinc/83/70/95/622837095.db2.gz UGYKXSHIVYIARM-UHFFFAOYSA-N 2 1 316.449 3.250 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)C1CCCC1 ZINC000872157301 622838325 /nfs/dbraw/zinc/83/83/25/622838325.db2.gz OJUGTKSJTWDGOX-DZGCQCFKSA-N 2 1 322.415 3.185 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000872157630 622839161 /nfs/dbraw/zinc/83/91/61/622839161.db2.gz OGUFGBMHVHATGF-NVXWUHKLSA-N 2 1 320.502 3.175 20 0 DGADMP CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158673 622839841 /nfs/dbraw/zinc/83/98/41/622839841.db2.gz WVZKMRCCNQNMSF-DZKIICNBSA-N 2 1 319.497 3.048 20 0 DGADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158673 622839847 /nfs/dbraw/zinc/83/98/47/622839847.db2.gz WVZKMRCCNQNMSF-DZKIICNBSA-N 2 1 319.497 3.048 20 0 DGADMP CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158675 622840697 /nfs/dbraw/zinc/84/06/97/622840697.db2.gz WVZKMRCCNQNMSF-OFQRWUPVSA-N 2 1 319.497 3.048 20 0 DGADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158675 622840702 /nfs/dbraw/zinc/84/07/02/622840702.db2.gz WVZKMRCCNQNMSF-OFQRWUPVSA-N 2 1 319.497 3.048 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000872251505 622867352 /nfs/dbraw/zinc/86/73/52/622867352.db2.gz LCQAXNSUNLKGFI-IBGZPJMESA-N 3 1 321.553 3.399 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000773106697 622985105 /nfs/dbraw/zinc/98/51/05/622985105.db2.gz YPRFGLYVSYALNF-AEFFLSMTSA-N 2 1 304.478 3.338 20 0 DGADMP Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(s2)CC[NH2+]C3)no1 ZINC000873202982 623072832 /nfs/dbraw/zinc/07/28/32/623072832.db2.gz KUXYINWYMIHJOI-OAHLLOKOSA-N 2 1 303.431 3.027 20 0 DGADMP Cc1cc([C@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)no1 ZINC000873202982 623072836 /nfs/dbraw/zinc/07/28/36/623072836.db2.gz KUXYINWYMIHJOI-OAHLLOKOSA-N 2 1 303.431 3.027 20 0 DGADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000873218897 623078223 /nfs/dbraw/zinc/07/82/23/623078223.db2.gz BIYKBDSFBIHRQD-KAXARAQCSA-N 3 1 315.505 3.332 20 0 DGADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000873218898 623078259 /nfs/dbraw/zinc/07/82/59/623078259.db2.gz BIYKBDSFBIHRQD-NUVZVAJJSA-N 3 1 315.505 3.332 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000873223604 623079787 /nfs/dbraw/zinc/07/97/87/623079787.db2.gz OUSHJAIZMIJBKE-LJQANCHMSA-N 2 1 300.446 3.159 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)[nH]n1 ZINC000873226728 623081427 /nfs/dbraw/zinc/08/14/27/623081427.db2.gz AEKWKWFFTFYDEJ-OAGGEKHMSA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226728 623081431 /nfs/dbraw/zinc/08/14/31/623081431.db2.gz AEKWKWFFTFYDEJ-OAGGEKHMSA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226728 623081434 /nfs/dbraw/zinc/08/14/34/623081434.db2.gz AEKWKWFFTFYDEJ-OAGGEKHMSA-N 2 1 304.482 3.101 20 0 DGADMP COCCC1([NH2+]Cc2ccc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000873225099 623081979 /nfs/dbraw/zinc/08/19/79/623081979.db2.gz MTOFZAOTUPHSHX-UHFFFAOYSA-N 2 1 322.396 3.015 20 0 DGADMP CC(C)(C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000873229132 623083233 /nfs/dbraw/zinc/08/32/33/623083233.db2.gz XVEPOHXXZAZTDG-JSGCOSHPSA-N 2 1 300.368 3.033 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCCCC[NH3+])c(Cl)c1OC ZINC000873231427 623083711 /nfs/dbraw/zinc/08/37/11/623083711.db2.gz ITSISGFDBFWJHB-UHFFFAOYSA-N 2 1 314.857 3.308 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(-c2ccncc2)s1 ZINC000873231913 623084904 /nfs/dbraw/zinc/08/49/04/623084904.db2.gz YTDKCQDMAWMYNH-UHFFFAOYSA-N 2 1 304.463 3.156 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259921 623095291 /nfs/dbraw/zinc/09/52/91/623095291.db2.gz OPPYTFCBKOREOC-SKWUIDRYSA-N 3 1 324.472 3.362 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873268178 623098906 /nfs/dbraw/zinc/09/89/06/623098906.db2.gz SUKNSXCYYNNJAJ-LSDHHAIUSA-N 3 1 312.461 3.219 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774976203 623212642 /nfs/dbraw/zinc/21/26/42/623212642.db2.gz JYEVFLRCHMHSJD-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000774974828 623213033 /nfs/dbraw/zinc/21/30/33/623213033.db2.gz GLFQDCHBIXHNKD-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000774974828 623213038 /nfs/dbraw/zinc/21/30/38/623213038.db2.gz GLFQDCHBIXHNKD-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[NH+]1CCCC1 ZINC000775362742 623260192 /nfs/dbraw/zinc/26/01/92/623260192.db2.gz IEANMSGHTCLWCB-UGUYLWEFSA-N 2 1 314.564 3.076 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775365558 623260323 /nfs/dbraw/zinc/26/03/23/623260323.db2.gz ONCABRNMMWRVMV-LVQVYYBASA-N 2 1 314.564 3.220 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775385527 623263863 /nfs/dbraw/zinc/26/38/63/623263863.db2.gz LKNCYRCQIRCORX-FPCVCCKLSA-N 2 1 314.564 3.076 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000776161154 623385410 /nfs/dbraw/zinc/38/54/10/623385410.db2.gz UJQFKSRYTLUSKE-OKZBNKHCSA-N 2 1 308.510 3.436 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000776161152 623385639 /nfs/dbraw/zinc/38/56/39/623385639.db2.gz UJQFKSRYTLUSKE-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(F)(F)F ZINC000777009421 623484838 /nfs/dbraw/zinc/48/48/38/623484838.db2.gz IMSUTXPSIODFPZ-AEGPPILISA-N 2 1 322.415 3.196 20 0 DGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000778806884 623697879 /nfs/dbraw/zinc/69/78/79/623697879.db2.gz GUIGRWDUKDATQP-KRWDZBQOSA-N 2 1 321.465 3.025 20 0 DGADMP CSC(C)(C)CC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000876897797 623739000 /nfs/dbraw/zinc/73/90/00/623739000.db2.gz XPDSISYKVZYXTP-UHFFFAOYSA-N 2 1 322.518 3.140 20 0 DGADMP C[N@@H+](CCC[NH2+]C[C@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000876900916 623740302 /nfs/dbraw/zinc/74/03/02/623740302.db2.gz UIFZDGZKFVCDAW-CQSZACIVSA-N 2 1 301.261 3.292 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)SC)[C@@H](C)C1 ZINC000877030028 623769879 /nfs/dbraw/zinc/76/98/79/623769879.db2.gz WJWGKHAMZWWVRJ-HOTGVXAUSA-N 2 1 316.555 3.245 20 0 DGADMP CCc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000779438897 623770068 /nfs/dbraw/zinc/77/00/68/623770068.db2.gz QGTATEMMYAXGTQ-VJDPLVQDSA-N 2 1 324.472 3.257 20 0 DGADMP CCc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]n1 ZINC000779438897 623770069 /nfs/dbraw/zinc/77/00/69/623770069.db2.gz QGTATEMMYAXGTQ-VJDPLVQDSA-N 2 1 324.472 3.257 20 0 DGADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000877059961 623779462 /nfs/dbraw/zinc/77/94/62/623779462.db2.gz SJXDGBSSYJDIDD-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000877059961 623779465 /nfs/dbraw/zinc/77/94/65/623779465.db2.gz SJXDGBSSYJDIDD-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877487510 623907843 /nfs/dbraw/zinc/90/78/43/623907843.db2.gz VKGBDRRXQCXLAI-HUUCEWRRSA-N 2 1 313.272 3.292 20 0 DGADMP Nc1c(Cl)cccc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643058 623975601 /nfs/dbraw/zinc/97/56/01/623975601.db2.gz BIBDCYDAWVJVKO-CQSZACIVSA-N 2 1 307.869 3.134 20 0 DGADMP Nc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000877643058 623975603 /nfs/dbraw/zinc/97/56/03/623975603.db2.gz BIBDCYDAWVJVKO-CQSZACIVSA-N 2 1 307.869 3.134 20 0 DGADMP Nc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643058 623975605 /nfs/dbraw/zinc/97/56/05/623975605.db2.gz BIBDCYDAWVJVKO-CQSZACIVSA-N 2 1 307.869 3.134 20 0 DGADMP Nc1c(Cl)cccc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643057 623975718 /nfs/dbraw/zinc/97/57/18/623975718.db2.gz BIBDCYDAWVJVKO-AWEZNQCLSA-N 2 1 307.869 3.134 20 0 DGADMP Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000877643057 623975720 /nfs/dbraw/zinc/97/57/20/623975720.db2.gz BIBDCYDAWVJVKO-AWEZNQCLSA-N 2 1 307.869 3.134 20 0 DGADMP Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643057 623975722 /nfs/dbraw/zinc/97/57/22/623975722.db2.gz BIBDCYDAWVJVKO-AWEZNQCLSA-N 2 1 307.869 3.134 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000877653895 623978902 /nfs/dbraw/zinc/97/89/02/623978902.db2.gz QZDSAUZYFORODX-SIFCLUCFSA-N 2 1 304.415 3.031 20 0 DGADMP COCC[N@H+](Cc1ccccc1Cl)CC1CC[NH+](C)CC1 ZINC000877665027 623983696 /nfs/dbraw/zinc/98/36/96/623983696.db2.gz DCCODHCOFYBCRQ-UHFFFAOYSA-N 2 1 310.869 3.130 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743267 624016597 /nfs/dbraw/zinc/01/65/97/624016597.db2.gz UZDGNKIVPMMIGJ-TYQNEONJSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743267 624016600 /nfs/dbraw/zinc/01/66/00/624016600.db2.gz UZDGNKIVPMMIGJ-TYQNEONJSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743267 624016602 /nfs/dbraw/zinc/01/66/02/624016602.db2.gz UZDGNKIVPMMIGJ-TYQNEONJSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743267 624016604 /nfs/dbraw/zinc/01/66/04/624016604.db2.gz UZDGNKIVPMMIGJ-TYQNEONJSA-N 2 1 314.473 3.262 20 0 DGADMP CC(C)C[N@H+](Cc1cc2n(n1)CCCC2)CC1CC[NH+](C)CC1 ZINC000877767511 624028643 /nfs/dbraw/zinc/02/86/43/624028643.db2.gz LJMUVOOYODBMAX-UHFFFAOYSA-N 2 1 318.509 3.019 20 0 DGADMP CCn1nc(C)c(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1C ZINC000877767892 624028675 /nfs/dbraw/zinc/02/86/75/624028675.db2.gz YCJDKFYFMPBVEP-UHFFFAOYSA-N 2 1 320.525 3.320 20 0 DGADMP CC(C)C[N@H+](Cc1cnn2ccccc12)CC1CC[NH+](C)CC1 ZINC000877767506 624028763 /nfs/dbraw/zinc/02/87/63/624028763.db2.gz LDYDWBAUIBDKKV-UHFFFAOYSA-N 2 1 314.477 3.134 20 0 DGADMP CC[C@@H]1C[C@@H](C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CCO1 ZINC000877767410 624028768 /nfs/dbraw/zinc/02/87/68/624028768.db2.gz HLTANADKGBQIQC-RBUKOAKNSA-N 2 1 310.526 3.491 20 0 DGADMP CC(C)C[N@H+](Cc1cccc2nccn21)CC1CC[NH+](C)CC1 ZINC000877767517 624028864 /nfs/dbraw/zinc/02/88/64/624028864.db2.gz LQBCDCFPWXNALT-UHFFFAOYSA-N 2 1 314.477 3.134 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000877793844 624036352 /nfs/dbraw/zinc/03/63/52/624036352.db2.gz BXAXMUMCZKAJJY-UHFFFAOYSA-N 2 1 312.461 3.403 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417139 624068983 /nfs/dbraw/zinc/06/89/83/624068983.db2.gz SQBKVCWSRFANQU-ZFWWWQNUSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417139 624068986 /nfs/dbraw/zinc/06/89/86/624068986.db2.gz SQBKVCWSRFANQU-ZFWWWQNUSA-N 2 1 307.869 3.478 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000878046762 624148551 /nfs/dbraw/zinc/14/85/51/624148551.db2.gz AIMZJHHJYOCHSV-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000878046762 624148552 /nfs/dbraw/zinc/14/85/52/624148552.db2.gz AIMZJHHJYOCHSV-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878288525 624236614 /nfs/dbraw/zinc/23/66/14/624236614.db2.gz YIERLXLQOAVABF-UHFFFAOYSA-N 2 1 301.312 3.325 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878288525 624236617 /nfs/dbraw/zinc/23/66/17/624236617.db2.gz YIERLXLQOAVABF-UHFFFAOYSA-N 2 1 301.312 3.325 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1)CC(C)C ZINC000878343907 624249692 /nfs/dbraw/zinc/24/96/92/624249692.db2.gz MQFRUPWTVBKNEU-KDURUIRLSA-N 2 1 310.526 3.491 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878410792 624271140 /nfs/dbraw/zinc/27/11/40/624271140.db2.gz BNVHZILGGCCJCY-MQOOWTBDSA-N 2 1 306.494 3.187 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1Cl ZINC000878746601 624352369 /nfs/dbraw/zinc/35/23/69/624352369.db2.gz AESVUSGLCJZDOC-UHFFFAOYSA-N 2 1 316.836 3.151 20 0 DGADMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1Cl ZINC000878746601 624352372 /nfs/dbraw/zinc/35/23/72/624352372.db2.gz AESVUSGLCJZDOC-UHFFFAOYSA-N 2 1 316.836 3.151 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566250 624591967 /nfs/dbraw/zinc/59/19/67/624591967.db2.gz DLFOWKGSNFKTKX-UYAOXDASSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566250 624591973 /nfs/dbraw/zinc/59/19/73/624591973.db2.gz DLFOWKGSNFKTKX-UYAOXDASSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566250 624591979 /nfs/dbraw/zinc/59/19/79/624591979.db2.gz DLFOWKGSNFKTKX-UYAOXDASSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566250 624591983 /nfs/dbraw/zinc/59/19/83/624591983.db2.gz DLFOWKGSNFKTKX-UYAOXDASSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000879566250 624591989 /nfs/dbraw/zinc/59/19/89/624591989.db2.gz DLFOWKGSNFKTKX-UYAOXDASSA-N 2 1 310.441 3.245 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566858 624592968 /nfs/dbraw/zinc/59/29/68/624592968.db2.gz ZNCXQDCTQMKJTP-SJORKVTESA-N 2 1 313.470 3.366 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569985 624594438 /nfs/dbraw/zinc/59/44/38/624594438.db2.gz CZFWSADHWVGSEP-IEBWSBKVSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569985 624594441 /nfs/dbraw/zinc/59/44/41/624594441.db2.gz CZFWSADHWVGSEP-IEBWSBKVSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569985 624594446 /nfs/dbraw/zinc/59/44/46/624594446.db2.gz CZFWSADHWVGSEP-IEBWSBKVSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569985 624594448 /nfs/dbraw/zinc/59/44/48/624594448.db2.gz CZFWSADHWVGSEP-IEBWSBKVSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569985 624594451 /nfs/dbraw/zinc/59/44/51/624594451.db2.gz CZFWSADHWVGSEP-IEBWSBKVSA-N 2 1 310.441 3.245 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cc2)n1 ZINC000879578765 624597652 /nfs/dbraw/zinc/59/76/52/624597652.db2.gz WCKAEAHVCDAUDA-AZUAARDMSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cc2)n1 ZINC000879578765 624597656 /nfs/dbraw/zinc/59/76/56/624597656.db2.gz WCKAEAHVCDAUDA-AZUAARDMSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578765 624597663 /nfs/dbraw/zinc/59/76/63/624597663.db2.gz WCKAEAHVCDAUDA-AZUAARDMSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578765 624597666 /nfs/dbraw/zinc/59/76/66/624597666.db2.gz WCKAEAHVCDAUDA-AZUAARDMSA-N 2 1 324.472 3.015 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000879951329 624730831 /nfs/dbraw/zinc/73/08/31/624730831.db2.gz KZIGCMQTWHSBPR-BZSNNMDCSA-N 2 1 306.494 3.284 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022677 624758588 /nfs/dbraw/zinc/75/85/88/624758588.db2.gz WAKUNDUILBXOQA-MTQWCTHYSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022677 624758592 /nfs/dbraw/zinc/75/85/92/624758592.db2.gz WAKUNDUILBXOQA-MTQWCTHYSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022677 624758594 /nfs/dbraw/zinc/75/85/94/624758594.db2.gz WAKUNDUILBXOQA-MTQWCTHYSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022677 624758599 /nfs/dbraw/zinc/75/85/99/624758599.db2.gz WAKUNDUILBXOQA-MTQWCTHYSA-N 2 1 314.473 3.008 20 0 DGADMP CCCCNC(=O)CC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256149 624873546 /nfs/dbraw/zinc/87/35/46/624873546.db2.gz FOTVBHXRRGYUJK-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCN1c1cc[nH+]cc1 ZINC000880259855 624874702 /nfs/dbraw/zinc/87/47/02/624874702.db2.gz JYNPGWOLZNLTAX-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260018 624875105 /nfs/dbraw/zinc/87/51/05/624875105.db2.gz MDHYMAINASASNX-GJZGRUSLSA-N 2 1 322.412 3.495 20 0 DGADMP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260018 624875109 /nfs/dbraw/zinc/87/51/09/624875109.db2.gz MDHYMAINASASNX-GJZGRUSLSA-N 2 1 322.412 3.495 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259484 624875376 /nfs/dbraw/zinc/87/53/76/624875376.db2.gz ULRKKLBCZNMGCI-OLZOCXBDSA-N 2 1 314.260 3.176 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc(Cl)s1 ZINC000880517426 624971151 /nfs/dbraw/zinc/97/11/51/624971151.db2.gz RBXQCBIIGHWXRT-UHFFFAOYSA-N 2 1 301.887 3.494 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(Cl)s1 ZINC000880517426 624971152 /nfs/dbraw/zinc/97/11/52/624971152.db2.gz RBXQCBIIGHWXRT-UHFFFAOYSA-N 2 1 301.887 3.494 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880556532 624977961 /nfs/dbraw/zinc/97/79/61/624977961.db2.gz NUZWPILSESJYFQ-SFHVURJKSA-N 2 1 310.445 3.066 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880556532 624977966 /nfs/dbraw/zinc/97/79/66/624977966.db2.gz NUZWPILSESJYFQ-SFHVURJKSA-N 2 1 310.445 3.066 20 0 DGADMP C[NH+]1CCC(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000788477631 625191274 /nfs/dbraw/zinc/19/12/74/625191274.db2.gz YBJPTRLGAJDECB-LJQANCHMSA-N 2 1 320.452 3.149 20 0 DGADMP c1cn(-c2ccc(CNCc3ccc(-c4cc[nH]n4)o3)cc2)cn1 ZINC000788508836 625201403 /nfs/dbraw/zinc/20/14/03/625201403.db2.gz JLLGRPNSMHXKAY-UHFFFAOYSA-N 2 1 319.368 3.145 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)c1cc[nH]c(=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000788609113 625226731 /nfs/dbraw/zinc/22/67/31/625226731.db2.gz IMLOAPSXPKBMSD-HZPDHXFCSA-N 2 1 313.445 3.348 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000882897309 625850574 /nfs/dbraw/zinc/85/05/74/625850574.db2.gz GBGWNZUHOURHGR-ZWKOTPCHSA-N 2 1 316.489 3.475 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000882989647 625886821 /nfs/dbraw/zinc/88/68/21/625886821.db2.gz BHTZXJSVHPCNDK-KRWDZBQOSA-N 2 1 304.478 3.190 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@@H]4CC[C@@H](C4)C3)CC2)nc(C)[nH+]1 ZINC000883029357 625903238 /nfs/dbraw/zinc/90/32/38/625903238.db2.gz QGBYCTNTQMXBRY-VQFNDLOPSA-N 2 1 314.477 3.231 20 0 DGADMP c1n[nH]c2c1[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)CCC2 ZINC000796748509 626078502 /nfs/dbraw/zinc/07/85/02/626078502.db2.gz VUTDMZNCFRPFPK-KRWDZBQOSA-N 2 1 304.482 3.423 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796754637 626078725 /nfs/dbraw/zinc/07/87/25/626078725.db2.gz KHDNJWSGWLFCLM-SCTDSRPQSA-N 2 1 301.478 3.105 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883210185 626609711 /nfs/dbraw/zinc/60/97/11/626609711.db2.gz PIDWNSAACDTVQV-IBGZPJMESA-N 2 1 318.436 3.145 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC4(CC4)C3)cc2)C1 ZINC000883234715 626618522 /nfs/dbraw/zinc/61/85/22/626618522.db2.gz KUCKMKMPAPTGNR-RBUKOAKNSA-N 2 1 314.473 3.066 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC3CC3)CC2)[C@@H](C)C1 ZINC000883253289 626624942 /nfs/dbraw/zinc/62/49/42/626624942.db2.gz NWQAUXOTXLKKKJ-FUHWJXTLSA-N 2 1 308.510 3.293 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H](C)C1 ZINC000883254830 626625646 /nfs/dbraw/zinc/62/56/46/626625646.db2.gz DKPQSXSKRXNGPF-HUUCEWRRSA-N 2 1 318.452 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@H]21 ZINC000883425034 626679396 /nfs/dbraw/zinc/67/93/96/626679396.db2.gz JZQZHYLEACZWHA-USYVTKNRSA-N 2 1 314.473 3.356 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424115 626679538 /nfs/dbraw/zinc/67/95/38/626679538.db2.gz GOJXGDAPPCKCKN-YZYRWKSTSA-N 2 1 300.446 3.122 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883426848 626680242 /nfs/dbraw/zinc/68/02/42/626680242.db2.gz BJAXAGOSZDTQRN-UHOSZYNNSA-N 2 1 302.462 3.358 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC[C@@H]2CCCC2(F)F)C1 ZINC000883435125 626681308 /nfs/dbraw/zinc/68/13/08/626681308.db2.gz LBLKAHDTLYRXOP-JJXSEGSLSA-N 2 1 316.436 3.173 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883434924 626681328 /nfs/dbraw/zinc/68/13/28/626681328.db2.gz FAJGLGZPWRXDQB-YRPNKDGESA-N 2 1 314.473 3.358 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC[C@@H]2CCCC2(F)F)C1 ZINC000883435124 626681539 /nfs/dbraw/zinc/68/15/39/626681539.db2.gz LBLKAHDTLYRXOP-FZKCQIBNSA-N 2 1 316.436 3.173 20 0 DGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439437 626682623 /nfs/dbraw/zinc/68/26/23/626682623.db2.gz RDTFTMSVUKCSPA-ZWKOTPCHSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439437 626682624 /nfs/dbraw/zinc/68/26/24/626682624.db2.gz RDTFTMSVUKCSPA-ZWKOTPCHSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000883442223 626683169 /nfs/dbraw/zinc/68/31/69/626683169.db2.gz HBLZFPTWJBHEAQ-QZTJIDSGSA-N 2 1 323.440 3.008 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000883448096 626683933 /nfs/dbraw/zinc/68/39/33/626683933.db2.gz UNKWHFTXUOTYRD-FUHWJXTLSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448096 626683936 /nfs/dbraw/zinc/68/39/36/626683936.db2.gz UNKWHFTXUOTYRD-FUHWJXTLSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448096 626683942 /nfs/dbraw/zinc/68/39/42/626683942.db2.gz UNKWHFTXUOTYRD-FUHWJXTLSA-N 2 1 324.472 3.256 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000808696919 626850480 /nfs/dbraw/zinc/85/04/80/626850480.db2.gz YEVAJLRZQIWULS-OXFYSEKESA-N 2 1 314.473 3.468 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000808718453 626853724 /nfs/dbraw/zinc/85/37/24/626853724.db2.gz UEJYFLAJQNKZNB-IBGZPJMESA-N 2 1 304.478 3.162 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2[nH]nc3ccccc32)cc1 ZINC000809738376 626943954 /nfs/dbraw/zinc/94/39/54/626943954.db2.gz WPKAUDCZKNXPEN-UHFFFAOYSA-N 2 1 308.429 3.257 20 0 DGADMP C[NH+]1CCC([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809755052 626947590 /nfs/dbraw/zinc/94/75/90/626947590.db2.gz NSBFUJKZPBJQCS-OAHLLOKOSA-N 2 1 317.260 3.101 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000810207980 626988085 /nfs/dbraw/zinc/98/80/85/626988085.db2.gz QGYFWWVZEPWZQF-LBPRGKRZSA-N 2 1 314.271 3.227 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000885954028 627068450 /nfs/dbraw/zinc/06/84/50/627068450.db2.gz LKRLOYZROMXORH-SFHVURJKSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000885954028 627068452 /nfs/dbraw/zinc/06/84/52/627068452.db2.gz LKRLOYZROMXORH-SFHVURJKSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885999741 627079271 /nfs/dbraw/zinc/07/92/71/627079271.db2.gz MGNLHEXOSGYXLW-QGZVFWFLSA-N 2 1 305.466 3.443 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886017073 627085118 /nfs/dbraw/zinc/08/51/18/627085118.db2.gz RIICWMMESGLKBD-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCCCC1 ZINC000886081047 627100131 /nfs/dbraw/zinc/10/01/31/627100131.db2.gz IBIIRZJVWCFSCH-VQIMIIECSA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886081047 627100133 /nfs/dbraw/zinc/10/01/33/627100133.db2.gz IBIIRZJVWCFSCH-VQIMIIECSA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886081047 627100135 /nfs/dbraw/zinc/10/01/35/627100135.db2.gz IBIIRZJVWCFSCH-VQIMIIECSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000886092430 627101522 /nfs/dbraw/zinc/10/15/22/627101522.db2.gz WSGJROUIECEZIH-MOPGFXCFSA-N 2 1 302.462 3.138 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000886092431 627101603 /nfs/dbraw/zinc/10/16/03/627101603.db2.gz WSGJROUIECEZIH-OALUTQOASA-N 2 1 302.462 3.138 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000886104944 627106175 /nfs/dbraw/zinc/10/61/75/627106175.db2.gz OXAZVLRGOBZPLJ-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000886104944 627106177 /nfs/dbraw/zinc/10/61/77/627106177.db2.gz OXAZVLRGOBZPLJ-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886171564 627117314 /nfs/dbraw/zinc/11/73/14/627117314.db2.gz JJUNPUCKMIVTAW-IRXDYDNUSA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886171564 627117315 /nfs/dbraw/zinc/11/73/15/627117315.db2.gz JJUNPUCKMIVTAW-IRXDYDNUSA-N 2 1 305.466 3.115 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000886218505 627122771 /nfs/dbraw/zinc/12/27/71/627122771.db2.gz XIEPIOLCGIOTRT-AZUAARDMSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000886218505 627122772 /nfs/dbraw/zinc/12/27/72/627122772.db2.gz XIEPIOLCGIOTRT-AZUAARDMSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000886218505 627122773 /nfs/dbraw/zinc/12/27/73/627122773.db2.gz XIEPIOLCGIOTRT-AZUAARDMSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886493656 627152748 /nfs/dbraw/zinc/15/27/48/627152748.db2.gz UWYPSJSZOPGDOC-KRWDZBQOSA-N 2 1 301.409 3.368 20 0 DGADMP CCc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[nH]n1 ZINC000886526746 627157376 /nfs/dbraw/zinc/15/73/76/627157376.db2.gz RRJRIBQFFJQDRT-HQRMLTQVSA-N 2 1 324.472 3.115 20 0 DGADMP CCc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[nH]n1 ZINC000886526746 627157378 /nfs/dbraw/zinc/15/73/78/627157378.db2.gz RRJRIBQFFJQDRT-HQRMLTQVSA-N 2 1 324.472 3.115 20 0 DGADMP C[C@@]1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCOC1 ZINC000886543342 627159684 /nfs/dbraw/zinc/15/96/84/627159684.db2.gz MYVPJZRZMBHUMU-LWYYNNOASA-N 2 1 314.473 3.198 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886596493 627169996 /nfs/dbraw/zinc/16/99/96/627169996.db2.gz GVBNCIMUFPGKMC-PTIUUAQKSA-N 2 1 302.462 3.053 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886624143 627175510 /nfs/dbraw/zinc/17/55/10/627175510.db2.gz YIUCILWRZSBBPZ-LJDSDSDDSA-N 2 1 314.473 3.197 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000886646447 627179598 /nfs/dbraw/zinc/17/95/98/627179598.db2.gz JMWUJWWJWUTKQN-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000886646447 627179600 /nfs/dbraw/zinc/17/96/00/627179600.db2.gz JMWUJWWJWUTKQN-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000886646447 627179602 /nfs/dbraw/zinc/17/96/02/627179602.db2.gz JMWUJWWJWUTKQN-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCOCc3ccccc3)CC2)[nH+]c1C ZINC000886661350 627182722 /nfs/dbraw/zinc/18/27/22/627182722.db2.gz SFBAAIJLPNISTF-UHFFFAOYSA-N 2 1 313.445 3.423 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000220323846 627191790 /nfs/dbraw/zinc/19/17/90/627191790.db2.gz KOHAZYTVGAEKNJ-UHFFFAOYSA-N 2 1 302.340 3.287 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](Cc2ccccc2)OC)CC1 ZINC000886718110 627197232 /nfs/dbraw/zinc/19/72/32/627197232.db2.gz QPNUVYZVHCVNKV-IBGZPJMESA-N 2 1 316.489 3.194 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886869631 627211754 /nfs/dbraw/zinc/21/17/54/627211754.db2.gz DSIVFXNINXRPQM-QGZVFWFLSA-N 2 1 310.388 3.254 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000886874481 627212343 /nfs/dbraw/zinc/21/23/43/627212343.db2.gz OPSPGZZUWWKYFK-OAHLLOKOSA-N 2 1 313.367 3.066 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000886874481 627212345 /nfs/dbraw/zinc/21/23/45/627212345.db2.gz OPSPGZZUWWKYFK-OAHLLOKOSA-N 2 1 313.367 3.066 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000887134130 627227842 /nfs/dbraw/zinc/22/78/42/627227842.db2.gz CONNNJVOLVEEGY-JSGCOSHPSA-N 2 1 314.260 3.176 20 0 DGADMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[NH+](C(C)C)C(C)C)n(C)n1 ZINC000924554714 627648671 /nfs/dbraw/zinc/64/86/71/627648671.db2.gz DBPSLLYKHSGZHK-HKUYNNGSSA-N 2 1 320.525 3.148 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924687957 627667712 /nfs/dbraw/zinc/66/77/12/627667712.db2.gz YANPUWZSVBAEON-OGWHTMIXSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924689547 627668121 /nfs/dbraw/zinc/66/81/21/627668121.db2.gz YOZARYGFZJAIPA-DLBZAZTESA-N 2 1 318.509 3.382 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924696887 627669438 /nfs/dbraw/zinc/66/94/38/627669438.db2.gz GYQWWKFVPUNTFU-IRXDYDNUSA-N 2 1 316.489 3.220 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1C1CCC1 ZINC000924712701 627671341 /nfs/dbraw/zinc/67/13/41/627671341.db2.gz JPSMRUATFMAYRQ-AWEZNQCLSA-N 2 1 302.466 3.133 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924717056 627672614 /nfs/dbraw/zinc/67/26/14/627672614.db2.gz SSTNKLOMSOZHKT-AWEZNQCLSA-N 2 1 301.434 3.160 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000815445710 627674103 /nfs/dbraw/zinc/67/41/03/627674103.db2.gz GNFFUAGLPKQSBD-WMZOPIPTSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@H]1CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445710 627674108 /nfs/dbraw/zinc/67/41/08/627674108.db2.gz GNFFUAGLPKQSBD-WMZOPIPTSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@H]1CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445710 627674113 /nfs/dbraw/zinc/67/41/13/627674113.db2.gz GNFFUAGLPKQSBD-WMZOPIPTSA-N 2 1 322.493 3.201 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000815578476 627687086 /nfs/dbraw/zinc/68/70/86/627687086.db2.gz OZYDLAFLYOQAGE-NVXWUHKLSA-N 2 1 308.441 3.022 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924872120 627689135 /nfs/dbraw/zinc/68/91/35/627689135.db2.gz FMTJAEYZEZVMJT-BZUAXINKSA-N 2 1 322.518 3.221 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924872120 627689138 /nfs/dbraw/zinc/68/91/38/627689138.db2.gz FMTJAEYZEZVMJT-BZUAXINKSA-N 2 1 322.518 3.221 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924872132 627689368 /nfs/dbraw/zinc/68/93/68/627689368.db2.gz FMTJAEYZEZVMJT-UIBIWLFHSA-N 2 1 322.518 3.221 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924872132 627689369 /nfs/dbraw/zinc/68/93/69/627689369.db2.gz FMTJAEYZEZVMJT-UIBIWLFHSA-N 2 1 322.518 3.221 20 0 DGADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616211 627691029 /nfs/dbraw/zinc/69/10/29/627691029.db2.gz JABDIQQLUHBKHN-KSSFIOAISA-N 2 1 322.518 3.294 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1SC(C)(C)C ZINC000815616211 627691032 /nfs/dbraw/zinc/69/10/32/627691032.db2.gz JABDIQQLUHBKHN-KSSFIOAISA-N 2 1 322.518 3.294 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000815621385 627691506 /nfs/dbraw/zinc/69/15/06/627691506.db2.gz SMDAMYIDSYHXOT-CVEARBPZSA-N 2 1 308.441 3.286 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924954780 627697412 /nfs/dbraw/zinc/69/74/12/627697412.db2.gz WZRBHTAEDLZXQU-ZIAGYGMSSA-N 2 1 301.438 3.100 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959217 627697704 /nfs/dbraw/zinc/69/77/04/627697704.db2.gz JCZPCRQMORTXTF-AEFFLSMTSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959217 627697710 /nfs/dbraw/zinc/69/77/10/627697710.db2.gz JCZPCRQMORTXTF-AEFFLSMTSA-N 2 1 318.509 3.454 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1coc2ccccc21 ZINC000925024820 627701678 /nfs/dbraw/zinc/70/16/78/627701678.db2.gz XYEZHBQSHWYKMX-JKSUJKDBSA-N 2 1 316.445 3.320 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2[nH]1 ZINC000925024494 627702100 /nfs/dbraw/zinc/70/21/00/627702100.db2.gz VNFINLVBYVYBCO-NVXWUHKLSA-N 2 1 315.461 3.055 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000925057623 627704926 /nfs/dbraw/zinc/70/49/26/627704926.db2.gz SGIMYYPECFISFD-AKHDSKFASA-N 2 1 320.521 3.434 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](CCO)c2cccs2)CC1 ZINC000925122535 627710980 /nfs/dbraw/zinc/71/09/80/627710980.db2.gz MPLCYDDFIUYGBL-INIZCTEOSA-N 2 1 310.507 3.272 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925134775 627711686 /nfs/dbraw/zinc/71/16/86/627711686.db2.gz RUHKZXZLYFDWRA-CQSZACIVSA-N 2 1 301.438 3.244 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925133530 627711741 /nfs/dbraw/zinc/71/17/41/627711741.db2.gz LWPYICJMLFLGRH-AWEZNQCLSA-N 2 1 301.438 3.244 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000925479857 627741418 /nfs/dbraw/zinc/74/14/18/627741418.db2.gz HMJDVIILHQORAK-LIRRHRJNSA-N 2 1 308.429 3.174 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccs1 ZINC000925506468 627743509 /nfs/dbraw/zinc/74/35/09/627743509.db2.gz RKYPJXUXIJRCFI-GVDBMIGSSA-N 2 1 321.534 3.109 20 0 DGADMP CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514507 627745765 /nfs/dbraw/zinc/74/57/65/627745765.db2.gz PNFXCEWMZGAERP-TXPKVOOTSA-N 2 1 303.494 3.128 20 0 DGADMP CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514507 627745767 /nfs/dbraw/zinc/74/57/67/627745767.db2.gz PNFXCEWMZGAERP-TXPKVOOTSA-N 2 1 303.494 3.128 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925527389 627747859 /nfs/dbraw/zinc/74/78/59/627747859.db2.gz NLIHEUVHEVDMPN-NQYYFHDYSA-N 2 1 302.462 3.193 20 0 DGADMP FC(F)(F)Oc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925564656 627755238 /nfs/dbraw/zinc/75/52/38/627755238.db2.gz ZWDJQGLOQIGPFS-AWEZNQCLSA-N 2 1 314.351 3.002 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925588624 627759184 /nfs/dbraw/zinc/75/91/84/627759184.db2.gz RJWAODPDISXOFK-LRYGQEGESA-N 2 1 308.510 3.292 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925607213 627762299 /nfs/dbraw/zinc/76/22/99/627762299.db2.gz ARUGZWOCKICJCQ-QZTJIDSGSA-N 2 1 317.477 3.128 20 0 DGADMP C[C@H]([NH3+])[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925655876 627770951 /nfs/dbraw/zinc/77/09/51/627770951.db2.gz XGRFJYGNSXUWGD-CUWPLCDZSA-N 2 1 323.484 3.187 20 0 DGADMP Fc1cc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]C34CCC4)c2cc1Cl ZINC000925718345 627781054 /nfs/dbraw/zinc/78/10/54/627781054.db2.gz LCTXXHOYWDEFBC-INIZCTEOSA-N 2 1 321.827 3.377 20 0 DGADMP CCSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000925731135 627783886 /nfs/dbraw/zinc/78/38/86/627783886.db2.gz JYPDMISGOBQSKP-KSZLIROESA-N 2 1 320.502 3.045 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000925786914 627795271 /nfs/dbraw/zinc/79/52/71/627795271.db2.gz XWWZPOFZQHTNBD-RISCZKNCSA-N 2 1 300.780 3.162 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000925786916 627795475 /nfs/dbraw/zinc/79/54/75/627795475.db2.gz XWWZPOFZQHTNBD-SMDDNHRTSA-N 2 1 300.780 3.162 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000925788874 627795746 /nfs/dbraw/zinc/79/57/46/627795746.db2.gz CRBPQHSQBSFKRB-NFAWXSAZSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000925799528 627797128 /nfs/dbraw/zinc/79/71/28/627797128.db2.gz VOUMXIYGACJCRA-WMZOPIPTSA-N 2 1 316.489 3.101 20 0 DGADMP Cn1cnc2cc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)ccc21 ZINC000925814201 627799003 /nfs/dbraw/zinc/79/90/03/627799003.db2.gz YFJASPVWDYNQDZ-ZWKOTPCHSA-N 2 1 320.440 3.156 20 0 DGADMP CCSc1ccccc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000925835917 627802961 /nfs/dbraw/zinc/80/29/61/627802961.db2.gz VNYRBPAAAQLGJF-ZDUSSCGKSA-N 2 1 301.459 3.499 20 0 DGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000925842988 627804432 /nfs/dbraw/zinc/80/44/32/627804432.db2.gz LTAGLXKBWYVPFE-PWIZWCRZSA-N 2 1 324.472 3.114 20 0 DGADMP C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120236 627847597 /nfs/dbraw/zinc/84/75/97/627847597.db2.gz WCTKIVSCGIKDGY-QWDABPKGSA-N 2 1 306.494 3.187 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc2ccccc21 ZINC000926205244 627861443 /nfs/dbraw/zinc/86/14/43/627861443.db2.gz YCGMHOJZTDFJAV-CQSZACIVSA-N 2 1 309.413 3.475 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326186 627880128 /nfs/dbraw/zinc/88/01/28/627880128.db2.gz PLQJXYWJFFIBTR-IEBWSBKVSA-N 2 1 309.457 3.124 20 0 DGADMP OCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926328290 627880175 /nfs/dbraw/zinc/88/01/75/627880175.db2.gz NUPFXINHWWBEMR-IHWFROFDSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)C2)CO1 ZINC000926352655 627883371 /nfs/dbraw/zinc/88/33/71/627883371.db2.gz XUOBRGWZBIFARE-JCJXWUGKSA-N 2 1 306.494 3.331 20 0 DGADMP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926532517 627909604 /nfs/dbraw/zinc/90/96/04/627909604.db2.gz MLAALILFWBAKAJ-GJZGRUSLSA-N 2 1 300.450 3.376 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@H](c2ccccc2)C1 ZINC000926635582 627925501 /nfs/dbraw/zinc/92/55/01/627925501.db2.gz PJVOURFMZGMQNK-YGPBLSMFSA-N 2 1 316.514 3.348 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736614 627943786 /nfs/dbraw/zinc/94/37/86/627943786.db2.gz ZVSATNWYYJBKSO-HIFRSBDPSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736614 627943788 /nfs/dbraw/zinc/94/37/88/627943788.db2.gz ZVSATNWYYJBKSO-HIFRSBDPSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736614 627943790 /nfs/dbraw/zinc/94/37/90/627943790.db2.gz ZVSATNWYYJBKSO-HIFRSBDPSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897423 627955594 /nfs/dbraw/zinc/95/55/94/627955594.db2.gz OWBCEFHUPSJCCX-APWZRJJASA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1C[NH2+]C1 ZINC000817910408 627959575 /nfs/dbraw/zinc/95/95/75/627959575.db2.gz GEIKDHIRONZJDP-QVKFZJNVSA-N 2 1 322.452 3.299 20 0 DGADMP C[C@]1(CN[C@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927271 627963835 /nfs/dbraw/zinc/96/38/35/627963835.db2.gz DROGDNMJOIRWRJ-SLFFLAALSA-N 2 1 315.505 3.148 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)ccc1OC ZINC000817934994 627966549 /nfs/dbraw/zinc/96/65/49/627966549.db2.gz DNRJXEUGIXEGPI-CQSZACIVSA-N 2 1 306.450 3.154 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000817939665 627967675 /nfs/dbraw/zinc/96/76/75/627967675.db2.gz AIHAOVPRSQEGTN-GPJFCIFZSA-N 2 1 316.489 3.282 20 0 DGADMP COc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])ccc1SC(F)F ZINC000817959628 627974839 /nfs/dbraw/zinc/97/48/39/627974839.db2.gz DUDRRCHHSYTZMW-VIFPVBQESA-N 2 1 304.406 3.398 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817959981 627976178 /nfs/dbraw/zinc/97/61/78/627976178.db2.gz JPHHVKUTQABUCD-AWEZNQCLSA-N 2 1 319.449 3.201 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nc(Br)cs1 ZINC000817960713 627976198 /nfs/dbraw/zinc/97/61/98/627976198.db2.gz QCFQJKIMJKXBAO-LPEHRKFASA-N 2 1 318.284 3.074 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977987 627981850 /nfs/dbraw/zinc/98/18/50/627981850.db2.gz SKMJCCUWBGIHLF-PMPSAXMXSA-N 3 1 319.493 3.067 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Br)nc1 ZINC000817981416 627982501 /nfs/dbraw/zinc/98/25/01/627982501.db2.gz JBCVLMKMKCACMU-MFKMUULPSA-N 2 1 312.255 3.012 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SC(F)F)cc1 ZINC000817982084 627982697 /nfs/dbraw/zinc/98/26/97/627982697.db2.gz PLAYQHURDNITQG-WCQYABFASA-N 2 1 316.417 3.030 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]2CCC[C@@H]21 ZINC000926978205 627992460 /nfs/dbraw/zinc/99/24/60/627992460.db2.gz QNJFAFDAANBLPW-DFBDCSAJSA-N 2 1 320.427 3.498 20 0 DGADMP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000927035872 628000918 /nfs/dbraw/zinc/00/09/18/628000918.db2.gz CMLGLODHZWNODP-FRLQSNLVSA-N 2 1 318.436 3.455 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCSC3(CCC3)C2)CC1 ZINC000927041496 628001814 /nfs/dbraw/zinc/00/18/14/628001814.db2.gz ZFTDJOPATVYJNQ-DLBZAZTESA-N 2 1 324.534 3.038 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000927120352 628020811 /nfs/dbraw/zinc/02/08/11/628020811.db2.gz OLKRKIAGPRVJHF-AYOQOUSVSA-N 2 1 302.462 3.010 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818959435 628067197 /nfs/dbraw/zinc/06/71/97/628067197.db2.gz KBKNJAAKTYAIFR-CRAIPNDOSA-N 2 1 308.441 3.103 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000818984613 628073269 /nfs/dbraw/zinc/07/32/69/628073269.db2.gz JHECQCUNMMGNAY-RHSMWYFYSA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccccc1Cl)C(C)C ZINC000819126014 628096006 /nfs/dbraw/zinc/09/60/06/628096006.db2.gz MTTHHOLOJLUWMY-KRWDZBQOSA-N 2 1 312.885 3.472 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819183685 628108255 /nfs/dbraw/zinc/10/82/55/628108255.db2.gz XZJCCSURKBZZTG-YJBOKZPZSA-N 2 1 324.896 3.331 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819183684 628108308 /nfs/dbraw/zinc/10/83/08/628108308.db2.gz XZJCCSURKBZZTG-QAPCUYQASA-N 2 1 324.896 3.331 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819275126 628125370 /nfs/dbraw/zinc/12/53/70/628125370.db2.gz RFGHQDAIWZSTSL-PZJWPPBQSA-N 2 1 324.468 3.140 20 0 DGADMP C[C@@H](CCO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820812607 628299527 /nfs/dbraw/zinc/29/95/27/628299527.db2.gz OGIWGEQPCSWBPY-OHSMVPPVSA-N 2 1 316.489 3.180 20 0 DGADMP COCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccc1F ZINC000820811101 628299599 /nfs/dbraw/zinc/29/95/99/628299599.db2.gz KVRUFALYVLDUJD-ZNXRZULTSA-N 2 1 318.436 3.220 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCCC2 ZINC000820812873 628300015 /nfs/dbraw/zinc/30/00/15/628300015.db2.gz UPHYLZXTSYZHQL-WLFXSESQSA-N 2 1 318.505 3.472 20 0 DGADMP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820824584 628301489 /nfs/dbraw/zinc/30/14/89/628301489.db2.gz USHBPYDVJIMWEJ-HUUCDWIBSA-N 2 1 306.494 3.185 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000824883749 628703103 /nfs/dbraw/zinc/70/31/03/628703103.db2.gz NDWDSGFPMLLVED-SFHVURJKSA-N 2 1 304.397 3.084 20 0 DGADMP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000834882813 629796789 /nfs/dbraw/zinc/79/67/89/629796789.db2.gz BMQXXIFPDOQRSU-MIGBEJBISA-N 2 1 322.880 3.285 20 0 DGADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471724 630538650 /nfs/dbraw/zinc/53/86/50/630538650.db2.gz VFWXTTJNBJGZMK-INIZCTEOSA-N 2 1 315.465 3.169 20 0 DGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H](c2ccc(F)cc2)O1 ZINC000842472629 630539316 /nfs/dbraw/zinc/53/93/16/630539316.db2.gz GVOMNGWCKNTSDA-MAUKXSAKSA-N 2 1 308.441 3.497 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000842762726 630573476 /nfs/dbraw/zinc/57/34/76/630573476.db2.gz IOMLAHGDIZGXRC-NBYUQASBSA-N 2 1 316.489 3.127 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)oc21 ZINC000843046534 630608488 /nfs/dbraw/zinc/60/84/88/630608488.db2.gz YMSFOOPIJOCDCH-DOTOQJQBSA-N 2 1 314.429 3.405 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)oc21 ZINC000843046534 630608490 /nfs/dbraw/zinc/60/84/90/630608490.db2.gz YMSFOOPIJOCDCH-DOTOQJQBSA-N 2 1 314.429 3.405 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000843053530 630609045 /nfs/dbraw/zinc/60/90/45/630609045.db2.gz ARPBOIBSSPYSSE-AGUYFDCRSA-N 2 1 314.351 3.429 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000843065274 630610606 /nfs/dbraw/zinc/61/06/06/630610606.db2.gz KLFAQRRIOTVTJD-YSIASYRMSA-N 2 1 316.489 3.354 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C[NH3+])C3)c2cc1C(C)C ZINC000843348614 630648118 /nfs/dbraw/zinc/64/81/18/630648118.db2.gz TWGNRQPIKPNYRI-CQSZACIVSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H](C[NH3+])C3)c2cc1C(C)C ZINC000843348614 630648121 /nfs/dbraw/zinc/64/81/21/630648121.db2.gz TWGNRQPIKPNYRI-CQSZACIVSA-N 2 1 314.429 3.005 20 0 DGADMP CC(C)C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H](O)c1ccc(F)cc1 ZINC000843358890 630649544 /nfs/dbraw/zinc/64/95/44/630649544.db2.gz AUVJJLRTRSEWKT-LJQANCHMSA-N 2 1 322.468 3.207 20 0 DGADMP C[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CCC([NH3+])CC1 ZINC000844220720 630712798 /nfs/dbraw/zinc/71/27/98/630712798.db2.gz KSCRKHVUHOOBOU-UHFFFAOYSA-N 2 1 308.376 3.133 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000846814166 631315965 /nfs/dbraw/zinc/31/59/65/631315965.db2.gz OCIILAVUBYARBF-HOCLYGCPSA-N 2 1 319.474 3.002 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000846814166 631315969 /nfs/dbraw/zinc/31/59/69/631315969.db2.gz OCIILAVUBYARBF-HOCLYGCPSA-N 2 1 319.474 3.002 20 0 DGADMP c1cc(C2CC2)cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000848552007 631689283 /nfs/dbraw/zinc/68/92/83/631689283.db2.gz YJBQOTXRDBRSKX-KRWDZBQOSA-N 2 1 301.434 3.014 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000848890617 631774229 /nfs/dbraw/zinc/77/42/29/631774229.db2.gz SQCJVNPARVNNDA-YZGWKJHDSA-N 2 1 316.489 3.494 20 0 DGADMP CCCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849029833 631812934 /nfs/dbraw/zinc/81/29/34/631812934.db2.gz PMTXIJQGRCNKMH-GOSISDBHSA-N 2 1 316.493 3.203 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000849110607 631838378 /nfs/dbraw/zinc/83/83/78/631838378.db2.gz JEHHFKZPBXCUBK-INIZCTEOSA-N 2 1 302.466 3.306 20 0 DGADMP Cc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000850366929 632126807 /nfs/dbraw/zinc/12/68/07/632126807.db2.gz NZDVFHSDKBQODX-UHFFFAOYSA-N 2 1 303.475 3.154 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2SCCS2)CC[N@H+]1Cc1ccccc1 ZINC000850401923 632140578 /nfs/dbraw/zinc/14/05/78/632140578.db2.gz JRCLTBYVSGWFTN-GOEBONIOSA-N 2 1 322.543 3.435 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850427001 632149336 /nfs/dbraw/zinc/14/93/36/632149336.db2.gz JWXQVWVWTRPISV-JKSUJKDBSA-N 2 1 302.462 3.394 20 0 DGADMP CCCCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850506469 632174471 /nfs/dbraw/zinc/17/44/71/632174471.db2.gz DKKJGKSPQCMQDM-APWZRJJASA-N 2 1 304.478 3.312 20 0 DGADMP CC1(C)OC[C@H](CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750264 632485611 /nfs/dbraw/zinc/48/56/11/632485611.db2.gz BZYCJHRMQFRIFX-ROUUACIJSA-N 2 1 324.509 3.116 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000355828644 660331426 /nfs/dbraw/zinc/33/14/26/660331426.db2.gz ZKMUMYIZOFDVKG-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000355828644 660331428 /nfs/dbraw/zinc/33/14/28/660331428.db2.gz ZKMUMYIZOFDVKG-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000355828644 660331431 /nfs/dbraw/zinc/33/14/31/660331431.db2.gz ZKMUMYIZOFDVKG-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3ccns3)C2)CC1 ZINC000929421755 661305308 /nfs/dbraw/zinc/30/53/08/661305308.db2.gz LEMBYJYSRDDBED-INIZCTEOSA-N 2 1 307.507 3.130 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3ccns3)C2)CC1 ZINC000929421755 661305311 /nfs/dbraw/zinc/30/53/11/661305311.db2.gz LEMBYJYSRDDBED-INIZCTEOSA-N 2 1 307.507 3.130 20 0 DGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209541 660724205 /nfs/dbraw/zinc/72/42/05/660724205.db2.gz BOGKNEIOTJZZQM-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955889 660915691 /nfs/dbraw/zinc/91/56/91/660915691.db2.gz DLHWWHRTOPDBOX-NWDGAFQWSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@H]1C[C@H](C[N@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955889 660915692 /nfs/dbraw/zinc/91/56/92/660915692.db2.gz DLHWWHRTOPDBOX-NWDGAFQWSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000792969096 660997509 /nfs/dbraw/zinc/99/75/09/660997509.db2.gz JVPIYNFRIHCFLF-LTCOOKNTSA-N 2 1 322.880 3.285 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000792969096 660997510 /nfs/dbraw/zinc/99/75/10/660997510.db2.gz JVPIYNFRIHCFLF-LTCOOKNTSA-N 2 1 322.880 3.285 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000793548875 661044719 /nfs/dbraw/zinc/04/47/19/661044719.db2.gz AWTYYLWEBYOAAG-PMPSAXMXSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000793548875 661044721 /nfs/dbraw/zinc/04/47/21/661044721.db2.gz AWTYYLWEBYOAAG-PMPSAXMXSA-N 2 1 304.482 3.032 20 0 DGADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261537724 655646411 /nfs/dbraw/zinc/64/64/11/655646411.db2.gz UCUZNGPPIZZKLO-DUXKGJEZSA-N 2 1 321.468 3.385 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000723675183 655715644 /nfs/dbraw/zinc/71/56/44/655715644.db2.gz POIGJSDLRBMREV-SNVBAGLBSA-N 2 1 317.658 3.273 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957360 655716093 /nfs/dbraw/zinc/71/60/93/655716093.db2.gz OTWVTFDUIITHHP-OCCSQVGLSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957360 655716095 /nfs/dbraw/zinc/71/60/95/655716095.db2.gz OTWVTFDUIITHHP-OCCSQVGLSA-N 2 1 308.853 3.298 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000723703517 655717552 /nfs/dbraw/zinc/71/75/52/655717552.db2.gz PYOVHBZNJUMEJT-GOSISDBHSA-N 2 1 310.441 3.436 20 0 DGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795928953 661179794 /nfs/dbraw/zinc/17/97/94/661179794.db2.gz VQNLRGJUJVPNSN-SFHVURJKSA-N 2 1 324.509 3.164 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795928953 661179795 /nfs/dbraw/zinc/17/97/95/661179795.db2.gz VQNLRGJUJVPNSN-SFHVURJKSA-N 2 1 324.509 3.164 20 0 DGADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1Br ZINC000091843811 655845389 /nfs/dbraw/zinc/84/53/89/655845389.db2.gz GLTXDSUIZVMSTB-UHFFFAOYSA-N 2 1 311.267 3.459 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOCC4)[C@@H]3C2)cc1 ZINC000309759064 655881368 /nfs/dbraw/zinc/88/13/68/655881368.db2.gz CUTKWLRAFXRXNR-NMLBUPMWSA-N 2 1 314.473 3.056 20 0 DGADMP Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000892749395 656035196 /nfs/dbraw/zinc/03/51/96/656035196.db2.gz DQIBGWNDBNPKTB-UHFFFAOYSA-N 2 1 306.425 3.276 20 0 DGADMP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000299938795 656228487 /nfs/dbraw/zinc/22/84/87/656228487.db2.gz TYXMAMHQLSVCQM-KOLCDFICSA-N 2 1 317.296 3.391 20 0 DGADMP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000299938795 656228488 /nfs/dbraw/zinc/22/84/88/656228488.db2.gz TYXMAMHQLSVCQM-KOLCDFICSA-N 2 1 317.296 3.391 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763702 656763533 /nfs/dbraw/zinc/76/35/33/656763533.db2.gz JAOQRPADNADCHV-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763702 656763537 /nfs/dbraw/zinc/76/35/37/656763537.db2.gz JAOQRPADNADCHV-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052763702 656763543 /nfs/dbraw/zinc/76/35/43/656763543.db2.gz JAOQRPADNADCHV-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000261883941 657159174 /nfs/dbraw/zinc/15/91/74/657159174.db2.gz MWCWOGYNNOBVFC-VUCTXSBTSA-N 2 1 310.397 3.253 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968857388 657503577 /nfs/dbraw/zinc/50/35/77/657503577.db2.gz XIVAFPGOHQWMBS-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826842 658224700 /nfs/dbraw/zinc/22/47/00/658224700.db2.gz UYLQSOWMKGCTSY-NTDBWNAOSA-N 2 1 315.505 3.285 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826842 658224710 /nfs/dbraw/zinc/22/47/10/658224710.db2.gz UYLQSOWMKGCTSY-NTDBWNAOSA-N 2 1 315.505 3.285 20 0 DGADMP Cc1ccc(-c2cnn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000164723023 658943290 /nfs/dbraw/zinc/94/32/90/658943290.db2.gz ZVSCAYJIOHFFPH-QUCCMNQESA-N 2 1 324.472 3.232 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000227816416 659166105 /nfs/dbraw/zinc/16/61/05/659166105.db2.gz UTRPHFYFBVOGHX-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063199866 659372344 /nfs/dbraw/zinc/37/23/44/659372344.db2.gz UKJKZAYZIQRBCH-OAHLLOKOSA-N 2 1 307.507 3.405 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000929642946 661324211 /nfs/dbraw/zinc/32/42/11/661324211.db2.gz CKZHRBXFVAEZOW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642946 661324204 /nfs/dbraw/zinc/32/42/04/661324204.db2.gz CKZHRBXFVAEZOW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642946 661324207 /nfs/dbraw/zinc/32/42/07/661324207.db2.gz CKZHRBXFVAEZOW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000929642946 661324208 /nfs/dbraw/zinc/32/42/08/661324208.db2.gz CKZHRBXFVAEZOW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C([C@@H]1CC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1)[NH+]1CCCCC1 ZINC000929720104 661332087 /nfs/dbraw/zinc/33/20/87/661332087.db2.gz VKOOCPXOLBOQIB-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@@H+](CCCc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753613 661334777 /nfs/dbraw/zinc/33/47/77/661334777.db2.gz CGAPTBYKLPRGOS-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCCc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929753613 661334779 /nfs/dbraw/zinc/33/47/79/661334779.db2.gz CGAPTBYKLPRGOS-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP CCCN1CCC([N@@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929776997 661337305 /nfs/dbraw/zinc/33/73/05/661337305.db2.gz FDEPGRZYJXOCPE-OAHLLOKOSA-N 2 1 318.461 3.017 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@@H]1C ZINC000929780660 661337860 /nfs/dbraw/zinc/33/78/60/661337860.db2.gz MKOINEKADQHVJD-AJNGGQMLSA-N 2 1 322.415 3.291 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@@H]1C ZINC000929780660 661337862 /nfs/dbraw/zinc/33/78/62/661337862.db2.gz MKOINEKADQHVJD-AJNGGQMLSA-N 2 1 322.415 3.291 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929791555 661338811 /nfs/dbraw/zinc/33/88/11/661338811.db2.gz SQJSKSWFCXRDFO-USXIJHARSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929791555 661338813 /nfs/dbraw/zinc/33/88/13/661338813.db2.gz SQJSKSWFCXRDFO-USXIJHARSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929791555 661338816 /nfs/dbraw/zinc/33/88/16/661338816.db2.gz SQJSKSWFCXRDFO-USXIJHARSA-N 2 1 308.416 3.309 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000929842880 661343730 /nfs/dbraw/zinc/34/37/30/661343730.db2.gz FECCNKIWPCYBNW-BRSBDYLESA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000929842880 661343732 /nfs/dbraw/zinc/34/37/32/661343732.db2.gz FECCNKIWPCYBNW-BRSBDYLESA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000929842880 661343734 /nfs/dbraw/zinc/34/37/34/661343734.db2.gz FECCNKIWPCYBNW-BRSBDYLESA-N 2 1 320.427 3.451 20 0 DGADMP Cc1nc(C[N@@H+]2CC[C@H](c3nccn3C)C2)sc1C(C)(C)C ZINC000930093459 661366181 /nfs/dbraw/zinc/36/61/81/661366181.db2.gz KVRGUFDDVUNIAC-ZDUSSCGKSA-N 2 1 318.490 3.472 20 0 DGADMP Cc1nc(CN2CC[C@H](c3nccn3C)C2)sc1C(C)(C)C ZINC000930093459 661366184 /nfs/dbraw/zinc/36/61/84/661366184.db2.gz KVRGUFDDVUNIAC-ZDUSSCGKSA-N 2 1 318.490 3.472 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)C3CC3)C2)ccn1 ZINC000931095067 661451941 /nfs/dbraw/zinc/45/19/41/661451941.db2.gz ROAQQWOUEHMWNC-BEFAXECRSA-N 2 1 317.477 3.173 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)C3CC3)C2)ccn1 ZINC000931095067 661451943 /nfs/dbraw/zinc/45/19/43/661451943.db2.gz ROAQQWOUEHMWNC-BEFAXECRSA-N 2 1 317.477 3.173 20 0 DGADMP Clc1ccccc1CCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931291276 661464411 /nfs/dbraw/zinc/46/44/11/661464411.db2.gz YIMWQEIVRGSYCB-UHFFFAOYSA-N 2 1 322.880 3.069 20 0 DGADMP CC[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288285 661464628 /nfs/dbraw/zinc/46/46/28/661464628.db2.gz IFDPLOQSGBAVOX-LJQANCHMSA-N 2 1 302.462 3.324 20 0 DGADMP CC[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288285 661464629 /nfs/dbraw/zinc/46/46/29/661464629.db2.gz IFDPLOQSGBAVOX-LJQANCHMSA-N 2 1 302.462 3.324 20 0 DGADMP CO[C@@H](C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315277 661466135 /nfs/dbraw/zinc/46/61/35/661466135.db2.gz VWNBAYQAPPXAEB-OKZBNKHCSA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@@H](C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315277 661466136 /nfs/dbraw/zinc/46/61/36/661466136.db2.gz VWNBAYQAPPXAEB-OKZBNKHCSA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315277 661466137 /nfs/dbraw/zinc/46/61/37/661466137.db2.gz VWNBAYQAPPXAEB-OKZBNKHCSA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315277 661466138 /nfs/dbraw/zinc/46/61/38/661466138.db2.gz VWNBAYQAPPXAEB-OKZBNKHCSA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315277 661466140 /nfs/dbraw/zinc/46/61/40/661466140.db2.gz VWNBAYQAPPXAEB-OKZBNKHCSA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315277 661466141 /nfs/dbraw/zinc/46/61/41/661466141.db2.gz VWNBAYQAPPXAEB-OKZBNKHCSA-N 2 1 322.880 3.301 20 0 DGADMP CC[C@H](OCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000931318085 661466201 /nfs/dbraw/zinc/46/62/01/661466201.db2.gz RNUYUOKRCTXTDQ-SLFFLAALSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@H](OCC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318085 661466202 /nfs/dbraw/zinc/46/62/02/661466202.db2.gz RNUYUOKRCTXTDQ-SLFFLAALSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@H](OCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318085 661466204 /nfs/dbraw/zinc/46/62/04/661466204.db2.gz RNUYUOKRCTXTDQ-SLFFLAALSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@H](OCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318085 661466205 /nfs/dbraw/zinc/46/62/05/661466205.db2.gz RNUYUOKRCTXTDQ-SLFFLAALSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318085 661466206 /nfs/dbraw/zinc/46/62/06/661466206.db2.gz RNUYUOKRCTXTDQ-SLFFLAALSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318085 661466207 /nfs/dbraw/zinc/46/62/07/661466207.db2.gz RNUYUOKRCTXTDQ-SLFFLAALSA-N 2 1 316.489 3.428 20 0 DGADMP C[N@H+]1C[C@@]2(C)CN(Cc3cnc(-c4ccccc4)o3)C[C@@]2(C)C1 ZINC000931316793 661466231 /nfs/dbraw/zinc/46/62/31/661466231.db2.gz KMVMEPSWBSBCKJ-KDURUIRLSA-N 2 1 311.429 3.115 20 0 DGADMP CC[C@@H](OCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000931318084 661466259 /nfs/dbraw/zinc/46/62/59/661466259.db2.gz RNUYUOKRCTXTDQ-AQNXPRMDSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@@H](OCC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318084 661466261 /nfs/dbraw/zinc/46/62/61/661466261.db2.gz RNUYUOKRCTXTDQ-AQNXPRMDSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@@H](OCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318084 661466265 /nfs/dbraw/zinc/46/62/65/661466265.db2.gz RNUYUOKRCTXTDQ-AQNXPRMDSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@@H](OCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318084 661466267 /nfs/dbraw/zinc/46/62/67/661466267.db2.gz RNUYUOKRCTXTDQ-AQNXPRMDSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318084 661466269 /nfs/dbraw/zinc/46/62/69/661466269.db2.gz RNUYUOKRCTXTDQ-AQNXPRMDSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318084 661466271 /nfs/dbraw/zinc/46/62/71/661466271.db2.gz RNUYUOKRCTXTDQ-AQNXPRMDSA-N 2 1 316.489 3.428 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)C[C@@H]2C1 ZINC000931442281 661476723 /nfs/dbraw/zinc/47/67/23/661476723.db2.gz AWLBFFSTQUGIPF-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@@H]2C1 ZINC000931442281 661476725 /nfs/dbraw/zinc/47/67/25/661476725.db2.gz AWLBFFSTQUGIPF-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@@H]2C1 ZINC000931442281 661476727 /nfs/dbraw/zinc/47/67/27/661476727.db2.gz AWLBFFSTQUGIPF-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCCC3(CCC3)O2)CCN1c1cc[nH+]cc1 ZINC000931683206 661497448 /nfs/dbraw/zinc/49/74/48/661497448.db2.gz HPIGONXHXNAHCP-FUHWJXTLSA-N 2 1 315.461 3.084 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C2CC(OCc3ccccc3)C2)CC1 ZINC000931700931 661499968 /nfs/dbraw/zinc/49/99/68/661499968.db2.gz SSDOVTDPSWBKER-UHFFFAOYSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000931764747 661506449 /nfs/dbraw/zinc/50/64/49/661506449.db2.gz SPUJWFZREIEFLY-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933748267 661655256 /nfs/dbraw/zinc/65/52/56/661655256.db2.gz LRBBUHKIFSKYTR-QUCCMNQESA-N 2 1 310.441 3.102 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933748267 661655257 /nfs/dbraw/zinc/65/52/57/661655257.db2.gz LRBBUHKIFSKYTR-QUCCMNQESA-N 2 1 310.441 3.102 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933748267 661655259 /nfs/dbraw/zinc/65/52/59/661655259.db2.gz LRBBUHKIFSKYTR-QUCCMNQESA-N 2 1 310.441 3.102 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933740300 661655292 /nfs/dbraw/zinc/65/52/92/661655292.db2.gz JCPXKESWAHVXSL-HACGYAERSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933740300 661655294 /nfs/dbraw/zinc/65/52/94/661655294.db2.gz JCPXKESWAHVXSL-HACGYAERSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740300 661655296 /nfs/dbraw/zinc/65/52/96/661655296.db2.gz JCPXKESWAHVXSL-HACGYAERSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740300 661655297 /nfs/dbraw/zinc/65/52/97/661655297.db2.gz JCPXKESWAHVXSL-HACGYAERSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740300 661655298 /nfs/dbraw/zinc/65/52/98/661655298.db2.gz JCPXKESWAHVXSL-HACGYAERSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740300 661655299 /nfs/dbraw/zinc/65/52/99/661655299.db2.gz JCPXKESWAHVXSL-HACGYAERSA-N 2 1 310.388 3.233 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934561302 661715165 /nfs/dbraw/zinc/71/51/65/661715165.db2.gz DIKBDYHXTGXSAC-CABCVRRESA-N 2 1 315.465 3.175 20 0 DGADMP C[NH+](CCCCCC[N@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000245843185 662242704 /nfs/dbraw/zinc/24/27/04/662242704.db2.gz IBJXOTLYLFBHDL-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245843185 662242707 /nfs/dbraw/zinc/24/27/07/662242707.db2.gz IBJXOTLYLFBHDL-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245843185 662242708 /nfs/dbraw/zinc/24/27/08/662242708.db2.gz IBJXOTLYLFBHDL-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380958156 685153537 /nfs/dbraw/zinc/15/35/37/685153537.db2.gz VNUZZMISUACSQI-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380958156 685153540 /nfs/dbraw/zinc/15/35/40/685153540.db2.gz VNUZZMISUACSQI-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380911955 685153634 /nfs/dbraw/zinc/15/36/34/685153634.db2.gz NAPYONHWOLRKBH-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398118886 685235816 /nfs/dbraw/zinc/23/58/16/685235816.db2.gz GPGRYOGXQBPSDU-KDOFPFPSSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)s1 ZINC000398118886 685235824 /nfs/dbraw/zinc/23/58/24/685235824.db2.gz GPGRYOGXQBPSDU-KDOFPFPSSA-N 2 1 315.486 3.452 20 0 DGADMP [NH3+]CCC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000399441562 685240349 /nfs/dbraw/zinc/24/03/49/685240349.db2.gz WEMILGCZIUSCCR-AWEZNQCLSA-N 2 1 301.261 3.421 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(C)n1 ZINC001659733710 1196410014 /nfs/dbraw/zinc/41/00/14/1196410014.db2.gz HPVOMDASSHAKRH-MAUKXSAKSA-N 2 1 306.498 3.154 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(C)n1 ZINC001659733710 1196410018 /nfs/dbraw/zinc/41/00/18/1196410018.db2.gz HPVOMDASSHAKRH-MAUKXSAKSA-N 2 1 306.498 3.154 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccc(CSC(F)F)o2)CCC[NH2+]C1 ZINC001576525823 1191838724 /nfs/dbraw/zinc/83/87/24/1191838724.db2.gz ILZCPKGPXDRBIE-AWEZNQCLSA-N 2 1 304.406 3.215 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@H]1C[NH3+] ZINC001576732787 1191866068 /nfs/dbraw/zinc/86/60/68/1191866068.db2.gz XRVUUJYQWQMXSV-GHMZBOCLSA-N 2 1 309.866 3.366 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C[C@@H]1C[NH3+] ZINC001576735238 1191866402 /nfs/dbraw/zinc/86/64/02/1191866402.db2.gz YBYHTSQGZUNLIR-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801274 1191869790 /nfs/dbraw/zinc/86/97/90/1191869790.db2.gz QEXZEVQEDKRHDN-RMFNQSEZSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801274 1191869792 /nfs/dbraw/zinc/86/97/92/1191869792.db2.gz QEXZEVQEDKRHDN-RMFNQSEZSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1C[NH3+] ZINC001576809171 1191870235 /nfs/dbraw/zinc/87/02/35/1191870235.db2.gz OQTVYYKIRIPBKQ-FXAWDEMLSA-N 3 1 315.505 3.089 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC001577052424 1191882277 /nfs/dbraw/zinc/88/22/77/1191882277.db2.gz UOSWHKGQEDKTEB-UHFFFAOYSA-N 2 1 313.445 3.133 20 0 DGADMP CCN(CC)CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC001577690872 1191912431 /nfs/dbraw/zinc/91/24/31/1191912431.db2.gz AOZLNIZEYGQTLX-YQQQUEKLSA-N 2 1 309.542 3.207 20 0 DGADMP CCN(C[C@@H](C[NH3+])C(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710816 1191913432 /nfs/dbraw/zinc/91/34/32/1191913432.db2.gz BXNBHBYCHFRYNN-WOJBJXKFSA-N 3 1 317.521 3.061 20 0 DGADMP CCN(C[C@H](C[NH3+])C(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710813 1191913869 /nfs/dbraw/zinc/91/38/69/1191913869.db2.gz BXNBHBYCHFRYNN-PMACEKPBSA-N 3 1 317.521 3.061 20 0 DGADMP CCOC(=O)[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCCC1 ZINC001577921404 1191918812 /nfs/dbraw/zinc/91/88/12/1191918812.db2.gz MRAUIMSMARONOL-ONQFOCNCSA-N 2 1 322.493 3.009 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC001660459082 1196486182 /nfs/dbraw/zinc/48/61/82/1196486182.db2.gz YWMIJXYVIRQGFW-MJGOQNOKSA-N 2 1 310.526 3.493 20 0 DGADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC001578465635 1191944966 /nfs/dbraw/zinc/94/49/66/1191944966.db2.gz GCXLOMVIKDGGRH-UHFFFAOYSA-N 2 1 316.367 3.286 20 0 DGADMP C[N@@H+](CCc1cccc(NC(=O)c2ccccc2C[NH3+])c1)C1CC1 ZINC001578478549 1191945611 /nfs/dbraw/zinc/94/56/11/1191945611.db2.gz LBYUZQMWHKTZBK-UHFFFAOYSA-N 2 1 323.440 3.034 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001578656002 1191950453 /nfs/dbraw/zinc/95/04/53/1191950453.db2.gz CDEAPCCMDBWNTF-KRWDZBQOSA-N 2 1 301.478 3.108 20 0 DGADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC001578676522 1191951176 /nfs/dbraw/zinc/95/11/76/1191951176.db2.gz DRXHCMJZJOSEIZ-SFHVURJKSA-N 2 1 318.461 3.216 20 0 DGADMP COCC[C@H]([NH3+])C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC001579001025 1191963655 /nfs/dbraw/zinc/96/36/55/1191963655.db2.gz DZLLBAMXSNQWDI-YOEHRIQHSA-N 2 1 304.434 3.392 20 0 DGADMP COCC[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001579000730 1191963827 /nfs/dbraw/zinc/96/38/27/1191963827.db2.gz BMSXLTWJFAVNEO-CTNGQTDRSA-N 2 1 324.468 3.192 20 0 DGADMP COCC[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001579000730 1191963830 /nfs/dbraw/zinc/96/38/30/1191963830.db2.gz BMSXLTWJFAVNEO-CTNGQTDRSA-N 2 1 324.468 3.192 20 0 DGADMP COCC[NH2+]C1CC[NH+](Cc2ccccc2CC(C)C)CC1 ZINC001579040370 1191965593 /nfs/dbraw/zinc/96/55/93/1191965593.db2.gz UVJAHYYCQQOFBG-UHFFFAOYSA-N 2 1 304.478 3.086 20 0 DGADMP COc1ccc([C@H](C)CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001579192806 1191968340 /nfs/dbraw/zinc/96/83/40/1191968340.db2.gz JQNAKLCGRYDEOA-YPMHNXCESA-N 2 1 304.356 3.058 20 0 DGADMP Cc1cc([C@H]2CC[N@H+](C[C@H](C[NH3+])C(C)C)C2)c(O)cc1Cl ZINC001579590976 1191980958 /nfs/dbraw/zinc/98/09/58/1191980958.db2.gz YMSHNECWCWSXCR-KBPBESRZSA-N 2 1 310.869 3.374 20 0 DGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCC3([NH3+])CCOCC3)C2)cc1 ZINC001579677795 1191986063 /nfs/dbraw/zinc/98/60/63/1191986063.db2.gz CHKMZLRSSZAAPY-SJLPKXTDSA-N 2 1 302.462 3.071 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc21 ZINC001579940227 1192000563 /nfs/dbraw/zinc/00/05/63/1192000563.db2.gz VUXHXWJHBDLYEC-NSHDSACASA-N 2 1 305.809 3.246 20 0 DGADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC001580033591 1192004302 /nfs/dbraw/zinc/00/43/02/1192004302.db2.gz UAVZHIFEEFLXSY-LLVKDONJSA-N 2 1 323.412 3.320 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC001580215264 1192014127 /nfs/dbraw/zinc/01/41/27/1192014127.db2.gz GOQYECGZIMABBH-ZCNNSNEGSA-N 2 1 316.489 3.228 20 0 DGADMP [NH3+]C[C@H]1CCCC12CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001580259711 1192016586 /nfs/dbraw/zinc/01/65/86/1192016586.db2.gz DXFQNQBCCBRGDJ-GFCCVEGCSA-N 2 1 310.388 3.011 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001580286856 1192019571 /nfs/dbraw/zinc/01/95/71/1192019571.db2.gz NURJEFPLVNUZHQ-GFCCVEGCSA-N 2 1 300.805 3.061 20 0 DGADMP O[C@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC001580877653 1192043296 /nfs/dbraw/zinc/04/32/96/1192043296.db2.gz CREMZJVWVVYJEI-SJLPKXTDSA-N 2 1 322.880 3.085 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC001580876833 1192043515 /nfs/dbraw/zinc/04/35/15/1192043515.db2.gz WXFNQXKRPRDKPB-FGTMMUONSA-N 2 1 320.477 3.337 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC2CCCCC2)CC1 ZINC001620623152 1192047278 /nfs/dbraw/zinc/04/72/78/1192047278.db2.gz MRNSHFQDYWTPLO-LJQANCHMSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC2CCCCC2)CC1 ZINC001620623152 1192047281 /nfs/dbraw/zinc/04/72/81/1192047281.db2.gz MRNSHFQDYWTPLO-LJQANCHMSA-N 2 1 310.526 3.370 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001620819692 1192156213 /nfs/dbraw/zinc/15/62/13/1192156213.db2.gz ZOHWZOYQJVYJBF-JKSUJKDBSA-N 2 1 308.853 3.237 20 0 DGADMP CC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(F)c1 ZINC001620827436 1192240294 /nfs/dbraw/zinc/24/02/94/1192240294.db2.gz OXFNFDFAASEZFN-MRXNPFEDSA-N 2 1 317.408 3.234 20 0 DGADMP FC(F)(F)c1cccnc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001620964893 1192681131 /nfs/dbraw/zinc/68/11/31/1192681131.db2.gz KFTUAGPLSGTGBL-UHFFFAOYSA-N 2 1 306.291 3.038 20 0 DGADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000109067989 1176021561 /nfs/dbraw/zinc/02/15/61/1176021561.db2.gz QUWQFOQLLUTDGR-UHFFFAOYSA-N 2 1 314.477 3.167 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000167941105 1176612854 /nfs/dbraw/zinc/61/28/54/1176612854.db2.gz GOIMBKRMZRRRPW-UHFFFAOYSA-N 2 1 304.356 3.105 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001752832849 1177262634 /nfs/dbraw/zinc/26/26/34/1177262634.db2.gz NQEFJCZOLFTEQK-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331506066 1178230128 /nfs/dbraw/zinc/23/01/28/1178230128.db2.gz WYEWAQZJYDAWEI-XOKHGSTOSA-N 2 1 308.441 3.100 20 0 DGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001331510704 1178231580 /nfs/dbraw/zinc/23/15/80/1178231580.db2.gz KCUOHHHDPMQCMM-BZSNNMDCSA-N 2 1 304.478 3.351 20 0 DGADMP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001331955372 1178320295 /nfs/dbraw/zinc/32/02/95/1178320295.db2.gz WHXBJXWOJDBRMB-LBPRGKRZSA-N 2 1 324.350 3.293 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001332361324 1178427693 /nfs/dbraw/zinc/42/76/93/1178427693.db2.gz YQPXEPAHDQJHKA-UHFFFAOYSA-N 2 1 307.507 3.406 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC001332834867 1178504131 /nfs/dbraw/zinc/50/41/31/1178504131.db2.gz WMUJYLSOAXWALP-SJLPKXTDSA-N 3 1 303.494 3.131 20 0 DGADMP CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001333151949 1178565158 /nfs/dbraw/zinc/56/51/58/1178565158.db2.gz BTOMPZOGOUOAOO-ABHNRTSZSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC001333686035 1178653512 /nfs/dbraw/zinc/65/35/12/1178653512.db2.gz VSAKZLKJRQPZAD-JSGCOSHPSA-N 2 1 316.367 3.200 20 0 DGADMP CC[C@@H](NC[C@H]1CCC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521126 1178926224 /nfs/dbraw/zinc/92/62/24/1178926224.db2.gz LKGIUKSJUHXUBO-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521126 1178926228 /nfs/dbraw/zinc/92/62/28/1178926228.db2.gz LKGIUKSJUHXUBO-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1cccc(C)c1 ZINC001335945232 1178973581 /nfs/dbraw/zinc/97/35/81/1178973581.db2.gz DJKRSNAOIMZLFB-GOSISDBHSA-N 2 1 315.461 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1cccc(C)c1 ZINC001335945232 1178973584 /nfs/dbraw/zinc/97/35/84/1178973584.db2.gz DJKRSNAOIMZLFB-GOSISDBHSA-N 2 1 315.461 3.200 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1Br ZINC001343039290 1179227950 /nfs/dbraw/zinc/22/79/50/1179227950.db2.gz KMDSVZCHVYFTPA-OAHLLOKOSA-N 2 1 324.266 3.075 20 0 DGADMP COCCCC1(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CCC1 ZINC001343332001 1179258063 /nfs/dbraw/zinc/25/80/63/1179258063.db2.gz ADCWPIHYDFCOLY-KSZLIROESA-N 2 1 308.510 3.245 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001345205662 1179542842 /nfs/dbraw/zinc/54/28/42/1179542842.db2.gz WPBQUNRLCLXODK-RYQLBKOJSA-N 2 1 302.462 3.250 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)cn1 ZINC001345955633 1179629644 /nfs/dbraw/zinc/62/96/44/1179629644.db2.gz JDCCPLIZBSWOAN-UHFFFAOYSA-N 2 1 324.472 3.053 20 0 DGADMP Cc1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1-c1ccccc1 ZINC001345957196 1179630505 /nfs/dbraw/zinc/63/05/05/1179630505.db2.gz UJCWBEXVETXNBX-UHFFFAOYSA-N 2 1 324.472 3.146 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001346017055 1179639416 /nfs/dbraw/zinc/63/94/16/1179639416.db2.gz IMXWYTNYLZABEW-UHFFFAOYSA-N 2 1 302.462 3.093 20 0 DGADMP C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1cccc2c1CC[NH2+]C2 ZINC001350648430 1180101240 /nfs/dbraw/zinc/10/12/40/1180101240.db2.gz WUNMUUBSTNXVHS-UHFFFAOYSA-N 2 1 305.425 3.446 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001352178312 1180305653 /nfs/dbraw/zinc/30/56/53/1180305653.db2.gz LFRSDZNTOYRXLI-CRAIPNDOSA-N 2 1 304.482 3.146 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ncc(Cl)c3C3CC3)C[C@@H]2C1 ZINC001352758711 1180394337 /nfs/dbraw/zinc/39/43/37/1180394337.db2.gz BQHIJUZHDDVWHA-SOUVJXGZSA-N 2 1 322.884 3.034 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])C[C@@H](C)CC)c2C1 ZINC001353527501 1180580159 /nfs/dbraw/zinc/58/01/59/1180580159.db2.gz VUAOMMKEOAHQTH-BBRMVZONSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])C[C@@H](C)CC)c2C1 ZINC001353527501 1180580165 /nfs/dbraw/zinc/58/01/65/1180580165.db2.gz VUAOMMKEOAHQTH-BBRMVZONSA-N 2 1 303.450 3.114 20 0 DGADMP Cc1cc(F)cc(NCc2ccccc2OCC[NH+](C)C)[nH+]1 ZINC001354089432 1180719201 /nfs/dbraw/zinc/71/92/01/1180719201.db2.gz LTODBLXAKMTNSR-UHFFFAOYSA-N 2 1 303.381 3.082 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H](C)C[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001200823625 1180940814 /nfs/dbraw/zinc/94/08/14/1180940814.db2.gz ZQNRPIIUGCYULW-UOIKSKOESA-N 2 1 316.493 3.477 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)C[C@H]2C1 ZINC001355373722 1181047453 /nfs/dbraw/zinc/04/74/53/1181047453.db2.gz QLJGATWYSYHWIN-MRVWCRGKSA-N 2 1 312.379 3.266 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@H]2C1 ZINC001355374420 1181047592 /nfs/dbraw/zinc/04/75/92/1181047592.db2.gz TYBCSMDKECZZNM-YQVWRLOYSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]2C1 ZINC001355374420 1181047595 /nfs/dbraw/zinc/04/75/95/1181047595.db2.gz TYBCSMDKECZZNM-YQVWRLOYSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]2C1 ZINC001355374420 1181047597 /nfs/dbraw/zinc/04/75/97/1181047597.db2.gz TYBCSMDKECZZNM-YQVWRLOYSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@@H]2C1 ZINC001355374415 1181047636 /nfs/dbraw/zinc/04/76/36/1181047636.db2.gz TYBCSMDKECZZNM-JENIJYKNSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001355374415 1181047639 /nfs/dbraw/zinc/04/76/39/1181047639.db2.gz TYBCSMDKECZZNM-JENIJYKNSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001355374415 1181047643 /nfs/dbraw/zinc/04/76/43/1181047643.db2.gz TYBCSMDKECZZNM-JENIJYKNSA-N 2 1 324.472 3.239 20 0 DGADMP CC(C)C[C@](C)(C[NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001355425823 1181053932 /nfs/dbraw/zinc/05/39/32/1181053932.db2.gz IVPAYPPCXZJBEM-GOSISDBHSA-N 2 1 318.465 3.022 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001356571306 1181216908 /nfs/dbraw/zinc/21/69/08/1181216908.db2.gz QMRMBJDPWVBTOG-UZLBHIALSA-N 2 1 312.457 3.193 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)[C@@H](C)C1 ZINC001413959374 1181755010 /nfs/dbraw/zinc/75/50/10/1181755010.db2.gz BIEQMGUIAUSRTD-KSSFIOAISA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@@H](C)C1 ZINC001413959374 1181755018 /nfs/dbraw/zinc/75/50/18/1181755018.db2.gz BIEQMGUIAUSRTD-KSSFIOAISA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@@H](C)C1 ZINC001413959374 1181755022 /nfs/dbraw/zinc/75/50/22/1181755022.db2.gz BIEQMGUIAUSRTD-KSSFIOAISA-N 2 1 313.445 3.103 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC001459746102 1182611846 /nfs/dbraw/zinc/61/18/46/1182611846.db2.gz CNQPRIZVOYNGDE-MOPGFXCFSA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC001459746102 1182611847 /nfs/dbraw/zinc/61/18/47/1182611847.db2.gz CNQPRIZVOYNGDE-MOPGFXCFSA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001459746102 1182611849 /nfs/dbraw/zinc/61/18/49/1182611849.db2.gz CNQPRIZVOYNGDE-MOPGFXCFSA-N 2 1 306.494 3.031 20 0 DGADMP CC[N@@H+](C)[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001460991016 1182752094 /nfs/dbraw/zinc/75/20/94/1182752094.db2.gz LYBQQWCMTGKSGY-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP c1cn2c(cccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001460999788 1182753362 /nfs/dbraw/zinc/75/33/62/1182753362.db2.gz MDONSRTYUUXIJK-UHFFFAOYSA-N 2 1 320.440 3.089 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001461142145 1182772654 /nfs/dbraw/zinc/77/26/54/1182772654.db2.gz BFSLHYFOGUMLRL-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H](C)[NH+](C)CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142145 1182772662 /nfs/dbraw/zinc/77/26/62/1182772662.db2.gz BFSLHYFOGUMLRL-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H](C)[NH+](C)CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142145 1182772668 /nfs/dbraw/zinc/77/26/68/1182772668.db2.gz BFSLHYFOGUMLRL-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001461233704 1182783110 /nfs/dbraw/zinc/78/31/10/1182783110.db2.gz RTCHVXYGRFVPQO-UHFFFAOYSA-N 2 1 309.417 3.152 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC001461258666 1182788561 /nfs/dbraw/zinc/78/85/61/1182788561.db2.gz APUFFCLRQGIKCI-MANSERQUSA-N 2 1 306.494 3.046 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC001461258666 1182788567 /nfs/dbraw/zinc/78/85/67/1182788567.db2.gz APUFFCLRQGIKCI-MANSERQUSA-N 2 1 306.494 3.046 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC001461261903 1182788698 /nfs/dbraw/zinc/78/86/98/1182788698.db2.gz YIOWCAGXCDTHHB-MSOLQXFVSA-N 2 1 306.494 3.332 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC001461261903 1182788703 /nfs/dbraw/zinc/78/87/03/1182788703.db2.gz YIOWCAGXCDTHHB-MSOLQXFVSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001461429252 1182812157 /nfs/dbraw/zinc/81/21/57/1182812157.db2.gz DJUVOSZZIRHBDI-UWVAXJGDSA-N 2 1 316.489 3.169 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001462203225 1182923493 /nfs/dbraw/zinc/92/34/93/1182923493.db2.gz VNBRBPMDADAPCW-CYBMUJFWSA-N 2 1 311.832 3.038 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001462203225 1182923499 /nfs/dbraw/zinc/92/34/99/1182923499.db2.gz VNBRBPMDADAPCW-CYBMUJFWSA-N 2 1 311.832 3.038 20 0 DGADMP CC[C@](C)(C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001462224859 1182925925 /nfs/dbraw/zinc/92/59/25/1182925925.db2.gz JNTIPLFYBDVNNW-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@](C)(C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001462224859 1182925933 /nfs/dbraw/zinc/92/59/33/1182925933.db2.gz JNTIPLFYBDVNNW-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@](C)(C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001462224859 1182925941 /nfs/dbraw/zinc/92/59/41/1182925941.db2.gz JNTIPLFYBDVNNW-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC001462547307 1182967427 /nfs/dbraw/zinc/96/74/27/1182967427.db2.gz FTUSZCXVXCHPKY-QZTJIDSGSA-N 2 1 321.468 3.397 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001462653058 1182981187 /nfs/dbraw/zinc/98/11/87/1182981187.db2.gz KRWXVFSXAKHFEU-IEBWSBKVSA-N 2 1 321.553 3.351 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001473279202 1183738432 /nfs/dbraw/zinc/73/84/32/1183738432.db2.gz LIAWPSVHKVJYST-IRXDYDNUSA-N 2 1 308.416 3.498 20 0 DGADMP OC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCCC1 ZINC001473286673 1183739153 /nfs/dbraw/zinc/73/91/53/1183739153.db2.gz MTQAFBCTDUOION-FUHWJXTLSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCCC1 ZINC001473286673 1183739156 /nfs/dbraw/zinc/73/91/56/1183739156.db2.gz MTQAFBCTDUOION-FUHWJXTLSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCCC1 ZINC001473286673 1183739160 /nfs/dbraw/zinc/73/91/60/1183739160.db2.gz MTQAFBCTDUOION-FUHWJXTLSA-N 2 1 306.494 3.020 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634879 1183784206 /nfs/dbraw/zinc/78/42/06/1183784206.db2.gz WWQLWEPAWYMWBM-AEFFLSMTSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634879 1183784210 /nfs/dbraw/zinc/78/42/10/1183784210.db2.gz WWQLWEPAWYMWBM-AEFFLSMTSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634879 1183784213 /nfs/dbraw/zinc/78/42/13/1183784213.db2.gz WWQLWEPAWYMWBM-AEFFLSMTSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634879 1183784215 /nfs/dbraw/zinc/78/42/15/1183784215.db2.gz WWQLWEPAWYMWBM-AEFFLSMTSA-N 2 1 324.896 3.050 20 0 DGADMP COCC[N@H+](C)CCC[NH2+]C/C=C/c1c(C)cc(C)cc1C ZINC001473930031 1183831367 /nfs/dbraw/zinc/83/13/67/1183831367.db2.gz OWPNFMIPQVTTFT-SOFGYWHQSA-N 2 1 304.478 3.183 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]C/C=C/c1c(C)cc(C)cc1C ZINC001473930031 1183831372 /nfs/dbraw/zinc/83/13/72/1183831372.db2.gz OWPNFMIPQVTTFT-SOFGYWHQSA-N 2 1 304.478 3.183 20 0 DGADMP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC001473935737 1183833388 /nfs/dbraw/zinc/83/33/88/1183833388.db2.gz NPGKRSWFMBLZRZ-GJZGRUSLSA-N 2 1 308.441 3.292 20 0 DGADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001473964952 1183840489 /nfs/dbraw/zinc/84/04/89/1183840489.db2.gz QKYKUGPKFCKTCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001473964952 1183840492 /nfs/dbraw/zinc/84/04/92/1183840492.db2.gz QKYKUGPKFCKTCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001473964952 1183840494 /nfs/dbraw/zinc/84/04/94/1183840494.db2.gz QKYKUGPKFCKTCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001473964952 1183840496 /nfs/dbraw/zinc/84/04/96/1183840496.db2.gz QKYKUGPKFCKTCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001473964952 1183840498 /nfs/dbraw/zinc/84/04/98/1183840498.db2.gz QKYKUGPKFCKTCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001473993678 1183845731 /nfs/dbraw/zinc/84/57/31/1183845731.db2.gz KIBBHFQZMRSCLY-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473993678 1183845737 /nfs/dbraw/zinc/84/57/37/1183845737.db2.gz KIBBHFQZMRSCLY-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473993678 1183845742 /nfs/dbraw/zinc/84/57/42/1183845742.db2.gz KIBBHFQZMRSCLY-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC001474027366 1183853926 /nfs/dbraw/zinc/85/39/26/1183853926.db2.gz GBVKUZBBRREUKF-UHFFFAOYSA-N 2 1 324.472 3.469 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC001474297795 1183900148 /nfs/dbraw/zinc/90/01/48/1183900148.db2.gz HIDROIRWEOZZMJ-DLBZAZTESA-N 2 1 316.489 3.405 20 0 DGADMP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339803 1183906412 /nfs/dbraw/zinc/90/64/12/1183906412.db2.gz NZKKAPROXQROLJ-GBESFXJTSA-N 2 1 310.526 3.491 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001474388499 1183914468 /nfs/dbraw/zinc/91/44/68/1183914468.db2.gz LIRSLDODVZMCSI-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1C(C)=CCC[C@@H]1C ZINC001474660840 1183957524 /nfs/dbraw/zinc/95/75/24/1183957524.db2.gz VICOCUPIZPDMDN-HKUYNNGSSA-N 2 1 308.510 3.269 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1CCSCC1 ZINC001474662001 1183957564 /nfs/dbraw/zinc/95/75/64/1183957564.db2.gz AGEOXYKWGIBPGX-APWZRJJASA-N 2 1 318.530 3.487 20 0 DGADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001480354404 1184503403 /nfs/dbraw/zinc/50/34/03/1184503403.db2.gz WOKIICRHGMRUQB-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC=C(C)C)C(C)C ZINC001493878974 1184755891 /nfs/dbraw/zinc/75/58/91/1184755891.db2.gz NWRPWARORCWJMX-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](CC=C(C)C)C(C)C ZINC001493878974 1184755898 /nfs/dbraw/zinc/75/58/98/1184755898.db2.gz NWRPWARORCWJMX-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](CC=C(C)C)C(C)C ZINC001493878974 1184755901 /nfs/dbraw/zinc/75/59/01/1184755901.db2.gz NWRPWARORCWJMX-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001502126447 1185957141 /nfs/dbraw/zinc/95/71/41/1185957141.db2.gz YJWRRBKGAHTDEB-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001502126447 1185957145 /nfs/dbraw/zinc/95/71/45/1185957145.db2.gz YJWRRBKGAHTDEB-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001502126447 1185957148 /nfs/dbraw/zinc/95/71/48/1185957148.db2.gz YJWRRBKGAHTDEB-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001502932675 1186030032 /nfs/dbraw/zinc/03/00/32/1186030032.db2.gz GNRJNKGJRYXUBU-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001502932675 1186030037 /nfs/dbraw/zinc/03/00/37/1186030037.db2.gz GNRJNKGJRYXUBU-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001502932675 1186030039 /nfs/dbraw/zinc/03/00/39/1186030039.db2.gz GNRJNKGJRYXUBU-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001615422779 1193521986 /nfs/dbraw/zinc/52/19/86/1193521986.db2.gz LBVCUBXKNPGRKM-SFHVURJKSA-N 2 1 324.509 3.114 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)ccc1OC(C)C ZINC001549087324 1188492804 /nfs/dbraw/zinc/49/28/04/1188492804.db2.gz BXSYDLRIMNPMJU-QFBILLFUSA-N 2 1 318.461 3.043 20 0 DGADMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)cc2s1 ZINC001549088045 1188493509 /nfs/dbraw/zinc/49/35/09/1188493509.db2.gz DKTLLJSYHKYIJC-WMLDXEAASA-N 2 1 301.459 3.166 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)oc21 ZINC001549088112 1188493786 /nfs/dbraw/zinc/49/37/86/1188493786.db2.gz HIGHNZALSOAOHB-KBXCAEBGSA-N 2 1 300.402 3.002 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001549087618 1188493791 /nfs/dbraw/zinc/49/37/91/1188493791.db2.gz GUYCDIGKCVHJJF-UEDWAMCQSA-N 2 1 314.473 3.151 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001549583241 1188528135 /nfs/dbraw/zinc/52/81/35/1188528135.db2.gz DTNDQKYXRMDOMW-LBPRGKRZSA-N 2 1 305.809 3.159 20 0 DGADMP Cn1c[nH+]cc1[C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001549764648 1188537888 /nfs/dbraw/zinc/53/78/88/1188537888.db2.gz HBXPBSVFAGQBPZ-LLVKDONJSA-N 2 1 310.323 3.218 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001550298361 1188600565 /nfs/dbraw/zinc/60/05/65/1188600565.db2.gz HOASKNHUQDLRSW-MRXNPFEDSA-N 2 1 310.445 3.158 20 0 DGADMP FC1(F)[C@@H](c2ccccc2)[C@H]1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001550348769 1188608084 /nfs/dbraw/zinc/60/80/84/1188608084.db2.gz FHJDLXYJRAUIBS-XDNAFOTISA-N 2 1 320.427 3.357 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3CCC(C)CC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550352858 1188608722 /nfs/dbraw/zinc/60/87/22/1188608722.db2.gz JWRZKBMTVYLYQQ-RBLTYPPMSA-N 2 1 308.510 3.025 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001550350501 1188609000 /nfs/dbraw/zinc/60/90/00/1188609000.db2.gz PDHPFBXUWMOJSA-XKQJLSEDSA-N 2 1 306.425 3.105 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@@H]1CCC[C@@H](C3CC3)C1)[C@@H](O)C2 ZINC001550349760 1188609047 /nfs/dbraw/zinc/60/90/47/1188609047.db2.gz CACZOKCAJVKIIG-MUJBESKKSA-N 2 1 320.521 3.025 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 ZINC001550350499 1188609351 /nfs/dbraw/zinc/60/93/51/1188609351.db2.gz PDHPFBXUWMOJSA-JQFCIGGWSA-N 2 1 306.425 3.105 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O)c1cccs1 ZINC001550351078 1188609392 /nfs/dbraw/zinc/60/93/92/1188609392.db2.gz IEHLIAIQLQVBFO-FZMWSMFESA-N 2 1 322.518 3.269 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]CC3CCCCC3)C2)[C@@H]1C(C)C ZINC001550423062 1188614773 /nfs/dbraw/zinc/61/47/73/1188614773.db2.gz HIFCZNMPPGVNQP-VJANTYMQSA-N 2 1 308.510 3.026 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCCC(C)(C)CC2)C1 ZINC001550520974 1188618589 /nfs/dbraw/zinc/61/85/89/1188618589.db2.gz PVSCPYUUBZGSJL-GJYPPUQNSA-N 2 1 319.493 3.367 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)C1 ZINC001550521884 1188619191 /nfs/dbraw/zinc/61/91/91/1188619191.db2.gz ZTVVFMHKURRFJJ-RYRKJORJSA-N 2 1 317.477 3.385 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)C1 ZINC001550521885 1188619359 /nfs/dbraw/zinc/61/93/59/1188619359.db2.gz ZTVVFMHKURRFJJ-SOLBZPMBSA-N 2 1 317.477 3.385 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@]23CCCCO3)C1 ZINC001550521375 1188619380 /nfs/dbraw/zinc/61/93/80/1188619380.db2.gz HEHQRBBICALGBV-HPFXQQBRSA-N 2 1 303.450 3.138 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)co2)cc1 ZINC001550541365 1188622482 /nfs/dbraw/zinc/62/24/82/1188622482.db2.gz VPHZSHNPKMNXRL-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)co2)cc1 ZINC001550541365 1188622485 /nfs/dbraw/zinc/62/24/85/1188622485.db2.gz VPHZSHNPKMNXRL-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)co2)cc1 ZINC001550541365 1188622486 /nfs/dbraw/zinc/62/24/86/1188622486.db2.gz VPHZSHNPKMNXRL-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)co2)cc1 ZINC001550541365 1188622489 /nfs/dbraw/zinc/62/24/89/1188622489.db2.gz VPHZSHNPKMNXRL-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP CC[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC001550702627 1188643581 /nfs/dbraw/zinc/64/35/81/1188643581.db2.gz NYDJVOCWPWECKO-LSDHHAIUSA-N 2 1 316.367 3.206 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CCO1 ZINC001551259628 1188722206 /nfs/dbraw/zinc/72/22/06/1188722206.db2.gz GQTQAFDPYXJKIM-ZRSRNVLSSA-N 2 1 308.510 3.100 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H](C)c1c[nH+]ccc1N ZINC001551378157 1188732095 /nfs/dbraw/zinc/73/20/95/1188732095.db2.gz HVDJLYLHMXIUAJ-QUJCMNEKSA-N 2 1 311.429 3.477 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@H]2COCC[C@H]21 ZINC001551391842 1188734992 /nfs/dbraw/zinc/73/49/92/1188734992.db2.gz RXYILGLKXUDIFY-WOJBJXKFSA-N 2 1 314.473 3.283 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@H](c2ccccc2)O1 ZINC001551393518 1188735823 /nfs/dbraw/zinc/73/58/23/1188735823.db2.gz FUXPDAHZVDZHMP-BHIYHBOVSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@H](c2ccccc2)O1 ZINC001551393518 1188735824 /nfs/dbraw/zinc/73/58/24/1188735824.db2.gz FUXPDAHZVDZHMP-BHIYHBOVSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@H](c2ccccc2)O1 ZINC001551393518 1188735826 /nfs/dbraw/zinc/73/58/26/1188735826.db2.gz FUXPDAHZVDZHMP-BHIYHBOVSA-N 2 1 302.462 3.323 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001552154570 1188820686 /nfs/dbraw/zinc/82/06/86/1188820686.db2.gz LYXWXQCTRMNGMC-WOJBJXKFSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001552341157 1188838010 /nfs/dbraw/zinc/83/80/10/1188838010.db2.gz WZCHHQBFWFPJCD-HXUWFJFHSA-N 2 1 314.473 3.427 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@H]3C1(C)C)CCC2 ZINC001553024054 1188890571 /nfs/dbraw/zinc/89/05/71/1188890571.db2.gz BIMBUJUAYAGUPX-JOCBIADPSA-N 2 1 316.493 3.208 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@H]2CCC[NH2+][C@H]21 ZINC001553023500 1188890588 /nfs/dbraw/zinc/89/05/88/1188890588.db2.gz QUEVSGFZFYOCIZ-USXIJHARSA-N 2 1 324.415 3.197 20 0 DGADMP c1[nH+]cn2cc(-c3noc([C@@H]4CC[N@@H+]4C4CCCC4)n3)ccc12 ZINC001553889491 1188955713 /nfs/dbraw/zinc/95/57/13/1188955713.db2.gz HFBDYDACPSEJPH-HNNXBMFYSA-N 2 1 309.373 3.074 20 0 DGADMP C([C@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1)[NH+]1CCCC1 ZINC001559552652 1189215726 /nfs/dbraw/zinc/21/57/26/1189215726.db2.gz IYEBRVHMYICDNZ-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP CC[C@H](c1ccccc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC001559566892 1189217710 /nfs/dbraw/zinc/21/77/10/1189217710.db2.gz QFKZDVZQIGYIJM-WOJBJXKFSA-N 2 1 315.505 3.240 20 0 DGADMP C[C@H]1C[C@H](CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001559715873 1189233618 /nfs/dbraw/zinc/23/36/18/1189233618.db2.gz QSHRTELYPUAEFE-BWTSREIZSA-N 2 1 323.569 3.407 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC001559745722 1189237040 /nfs/dbraw/zinc/23/70/40/1189237040.db2.gz AHJPVKAUPBTJPB-UHFFFAOYSA-N 2 1 323.481 3.279 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC001559745722 1189237044 /nfs/dbraw/zinc/23/70/44/1189237044.db2.gz AHJPVKAUPBTJPB-UHFFFAOYSA-N 2 1 323.481 3.279 20 0 DGADMP CC/C=C\CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001559831517 1189247658 /nfs/dbraw/zinc/24/76/58/1189247658.db2.gz VJLFGBOEEZOJCO-PLNGDYQASA-N 2 1 315.505 3.092 20 0 DGADMP CCC[C@@H](C(=O)OCC)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001560043261 1189272947 /nfs/dbraw/zinc/27/29/47/1189272947.db2.gz STERCQQQYMGROD-SFHVURJKSA-N 2 1 320.477 3.302 20 0 DGADMP CCC[C@@H](C(=O)OCC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001560043261 1189272950 /nfs/dbraw/zinc/27/29/50/1189272950.db2.gz STERCQQQYMGROD-SFHVURJKSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117835 1189280576 /nfs/dbraw/zinc/28/05/76/1189280576.db2.gz IORHKSQNHTZHPG-IRXDYDNUSA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117835 1189280578 /nfs/dbraw/zinc/28/05/78/1189280578.db2.gz IORHKSQNHTZHPG-IRXDYDNUSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117835 1189280580 /nfs/dbraw/zinc/28/05/80/1189280580.db2.gz IORHKSQNHTZHPG-IRXDYDNUSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117835 1189280582 /nfs/dbraw/zinc/28/05/82/1189280582.db2.gz IORHKSQNHTZHPG-IRXDYDNUSA-N 2 1 324.896 3.221 20 0 DGADMP CC[C@@H](C[NH2+][C@H]1CCCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC001560261806 1189301280 /nfs/dbraw/zinc/30/12/80/1189301280.db2.gz UCWRXNBHSRZBPE-ROUUACIJSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001560301551 1189308323 /nfs/dbraw/zinc/30/83/23/1189308323.db2.gz YDEWJMBVYJWJLM-CQSZACIVSA-N 2 1 320.868 3.015 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001560320470 1189311099 /nfs/dbraw/zinc/31/10/99/1189311099.db2.gz BNFOSLVOPZYUIC-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001560320470 1189311102 /nfs/dbraw/zinc/31/11/02/1189311102.db2.gz BNFOSLVOPZYUIC-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001560319859 1189311472 /nfs/dbraw/zinc/31/14/72/1189311472.db2.gz BLGAFKPLCQDRNN-GOSISDBHSA-N 2 1 309.542 3.066 20 0 DGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccc(Cl)cc1 ZINC001560351483 1189316269 /nfs/dbraw/zinc/31/62/69/1189316269.db2.gz GUFILWLMYZUXNG-CYBMUJFWSA-N 2 1 319.836 3.358 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCCC2)CC1(C)C ZINC001560562349 1189339831 /nfs/dbraw/zinc/33/98/31/1189339831.db2.gz SPJOHGMYDRTOOC-WMZOPIPTSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1(C)C ZINC001560562349 1189339833 /nfs/dbraw/zinc/33/98/33/1189339833.db2.gz SPJOHGMYDRTOOC-WMZOPIPTSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1(C)C ZINC001560562349 1189339835 /nfs/dbraw/zinc/33/98/35/1189339835.db2.gz SPJOHGMYDRTOOC-WMZOPIPTSA-N 2 1 307.526 3.246 20 0 DGADMP C[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C2CCCCCC2)CC1(C)C ZINC001560562346 1189341712 /nfs/dbraw/zinc/34/17/12/1189341712.db2.gz SPJOHGMYDRTOOC-AEFFLSMTSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1(C)C ZINC001560562346 1189341714 /nfs/dbraw/zinc/34/17/14/1189341714.db2.gz SPJOHGMYDRTOOC-AEFFLSMTSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1(C)C ZINC001560562346 1189341715 /nfs/dbraw/zinc/34/17/15/1189341715.db2.gz SPJOHGMYDRTOOC-AEFFLSMTSA-N 2 1 307.526 3.246 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001560615956 1189348300 /nfs/dbraw/zinc/34/83/00/1189348300.db2.gz IAUXPBZXYBXPGR-HBFSDRIKSA-N 2 1 314.473 3.056 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC001560622664 1189350084 /nfs/dbraw/zinc/35/00/84/1189350084.db2.gz MCPFQGAXSNQZLT-NLWGTHIKSA-N 2 1 307.441 3.178 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](CC)C1CC1 ZINC001560891190 1189401239 /nfs/dbraw/zinc/40/12/39/1189401239.db2.gz BPFBDZJLBIFNNQ-HSALFYBXSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](CC)C1CC1 ZINC001560891190 1189401242 /nfs/dbraw/zinc/40/12/42/1189401242.db2.gz BPFBDZJLBIFNNQ-HSALFYBXSA-N 2 1 316.489 3.302 20 0 DGADMP CCOc1ccc(CC[N@@H+](C)CC2CC[NH+](CC)CC2)cc1 ZINC001561041636 1189425947 /nfs/dbraw/zinc/42/59/47/1189425947.db2.gz ZIRSHEUGEWFEAY-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001566930327 1189959318 /nfs/dbraw/zinc/95/93/18/1189959318.db2.gz VMFMTMMJATXUDV-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001567549987 1190215908 /nfs/dbraw/zinc/21/59/08/1190215908.db2.gz XQNUQDJKUJXHPC-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001569520858 1190712717 /nfs/dbraw/zinc/71/27/17/1190712717.db2.gz CLSPGYSPOJWKGG-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNCc2csc(Br)c2)C1 ZINC001620753976 1191433172 /nfs/dbraw/zinc/43/31/72/1191433172.db2.gz VHKQMQVUCMZMAG-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC001620753976 1191433173 /nfs/dbraw/zinc/43/31/73/1191433173.db2.gz VHKQMQVUCMZMAG-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC001620753976 1191433176 /nfs/dbraw/zinc/43/31/76/1191433176.db2.gz VHKQMQVUCMZMAG-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP Brc1cccc(C[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C2CC2)c1 ZINC001574447893 1191444713 /nfs/dbraw/zinc/44/47/13/1191444713.db2.gz HJWSSZBORKRLDT-XJKSGUPXSA-N 2 1 321.262 3.023 20 0 DGADMP Brc1cccc(C[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C2CC2)c1 ZINC001574447893 1191444715 /nfs/dbraw/zinc/44/47/15/1191444715.db2.gz HJWSSZBORKRLDT-XJKSGUPXSA-N 2 1 321.262 3.023 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001574775009 1191451715 /nfs/dbraw/zinc/45/17/15/1191451715.db2.gz UENNZGWGKQVUSW-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)(C)C[NH+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC(C)(C)C ZINC001575133572 1191467954 /nfs/dbraw/zinc/46/79/54/1191467954.db2.gz XBVJXJLBIXTXHA-ROUUACIJSA-N 2 1 320.521 3.312 20 0 DGADMP CC(C)(C)Oc1ccc(CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001575258636 1191470942 /nfs/dbraw/zinc/47/09/42/1191470942.db2.gz MXTQXQVKLCQBDM-ZDUSSCGKSA-N 2 1 318.383 3.276 20 0 DGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001575423471 1191480989 /nfs/dbraw/zinc/48/09/89/1191480989.db2.gz UVMAQPMQUNOSMJ-GJZGRUSLSA-N 2 1 321.534 3.432 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001576117333 1191531932 /nfs/dbraw/zinc/53/19/32/1191531932.db2.gz MUGXRHYCBLDOBR-WMLDXEAASA-N 2 1 318.461 3.201 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001576167369 1191535095 /nfs/dbraw/zinc/53/50/95/1191535095.db2.gz DRRFIMTUQSKQQA-UGSOOPFHSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001576167369 1191535114 /nfs/dbraw/zinc/53/51/14/1191535114.db2.gz DRRFIMTUQSKQQA-UGSOOPFHSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@H](NCC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240163 1191546267 /nfs/dbraw/zinc/54/62/67/1191546267.db2.gz VQDHBWQRVJUMCV-PKOBYXMFSA-N 2 1 317.521 3.122 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240163 1191546269 /nfs/dbraw/zinc/54/62/69/1191546269.db2.gz VQDHBWQRVJUMCV-PKOBYXMFSA-N 3 1 317.521 3.122 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240163 1191546272 /nfs/dbraw/zinc/54/62/72/1191546272.db2.gz VQDHBWQRVJUMCV-PKOBYXMFSA-N 3 1 317.521 3.122 20 0 DGADMP C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001576244592 1191546599 /nfs/dbraw/zinc/54/65/99/1191546599.db2.gz MBZYPSMJASCHAD-GQOOQVERSA-N 3 1 319.537 3.150 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1cc(F)cc2cccnc21 ZINC001576388766 1191580217 /nfs/dbraw/zinc/58/02/17/1191580217.db2.gz BPVIZEBGTBMRGH-NXHRZFHOSA-N 2 1 313.420 3.240 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CC3(CO1)CCCCC3)C2 ZINC001618053991 1193723101 /nfs/dbraw/zinc/72/31/01/1193723101.db2.gz AJJUYSXRKSOSEJ-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CC3(CO1)CCCCC3)C2 ZINC001618053991 1193723105 /nfs/dbraw/zinc/72/31/05/1193723105.db2.gz AJJUYSXRKSOSEJ-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CC3(CO1)CCCCC3)C2 ZINC001618053991 1193723109 /nfs/dbraw/zinc/72/31/09/1193723109.db2.gz AJJUYSXRKSOSEJ-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@](O)(CN(C)C)C2)cc1 ZINC001618930699 1193754425 /nfs/dbraw/zinc/75/44/25/1193754425.db2.gz AYYFSNCNHHSNCN-QFBILLFUSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@H](C)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618930699 1193754427 /nfs/dbraw/zinc/75/44/27/1193754427.db2.gz AYYFSNCNHHSNCN-QFBILLFUSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618930699 1193754430 /nfs/dbraw/zinc/75/44/30/1193754430.db2.gz AYYFSNCNHHSNCN-QFBILLFUSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618930699 1193754432 /nfs/dbraw/zinc/75/44/32/1193754432.db2.gz AYYFSNCNHHSNCN-QFBILLFUSA-N 2 1 304.478 3.260 20 0 DGADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC001620435136 1193768503 /nfs/dbraw/zinc/76/85/03/1193768503.db2.gz PEXXZTDQLJMWMV-SFHVURJKSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC001620435136 1193768506 /nfs/dbraw/zinc/76/85/06/1193768506.db2.gz PEXXZTDQLJMWMV-SFHVURJKSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC001620435136 1193768508 /nfs/dbraw/zinc/76/85/08/1193768508.db2.gz PEXXZTDQLJMWMV-SFHVURJKSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC(C)(C)CCC1(C)C ZINC001620435136 1193768511 /nfs/dbraw/zinc/76/85/11/1193768511.db2.gz PEXXZTDQLJMWMV-SFHVURJKSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC001620435136 1193768514 /nfs/dbraw/zinc/76/85/14/1193768514.db2.gz PEXXZTDQLJMWMV-SFHVURJKSA-N 2 1 318.505 3.380 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001621368761 1193833957 /nfs/dbraw/zinc/83/39/57/1193833957.db2.gz SEFDXZFVPRXIDU-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001621368761 1193833960 /nfs/dbraw/zinc/83/39/60/1193833960.db2.gz SEFDXZFVPRXIDU-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001621368761 1193833962 /nfs/dbraw/zinc/83/39/62/1193833962.db2.gz SEFDXZFVPRXIDU-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001621368761 1193833964 /nfs/dbraw/zinc/83/39/64/1193833964.db2.gz SEFDXZFVPRXIDU-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@H]2C1 ZINC001621564181 1193859281 /nfs/dbraw/zinc/85/92/81/1193859281.db2.gz XAKDVGUXNZASPX-YQVWRLOYSA-N 2 1 324.472 3.034 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C12CCCCC2 ZINC001621569734 1193860200 /nfs/dbraw/zinc/86/02/00/1193860200.db2.gz CHURNLDVDZZGOJ-MDMSPXHWSA-N 2 1 306.494 3.044 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(Br)c1 ZINC000043498949 1194221325 /nfs/dbraw/zinc/22/13/25/1194221325.db2.gz XMCPZTKODRZHJE-HNNXBMFYSA-N 2 1 311.267 3.413 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(Br)c1 ZINC000043498949 1194221327 /nfs/dbraw/zinc/22/13/27/1194221327.db2.gz XMCPZTKODRZHJE-HNNXBMFYSA-N 2 1 311.267 3.413 20 0 DGADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001633289306 1194430066 /nfs/dbraw/zinc/43/00/66/1194430066.db2.gz LERKFGJHPGAGHX-UHFFFAOYSA-N 2 1 324.428 3.088 20 0 DGADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001633289306 1194430070 /nfs/dbraw/zinc/43/00/70/1194430070.db2.gz LERKFGJHPGAGHX-UHFFFAOYSA-N 2 1 324.428 3.088 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001642323335 1194901852 /nfs/dbraw/zinc/90/18/52/1194901852.db2.gz ITKRIXVNKYBIHO-WOJBJXKFSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001642323335 1194901857 /nfs/dbraw/zinc/90/18/57/1194901857.db2.gz ITKRIXVNKYBIHO-WOJBJXKFSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001642323335 1194901860 /nfs/dbraw/zinc/90/18/60/1194901860.db2.gz ITKRIXVNKYBIHO-WOJBJXKFSA-N 2 1 318.505 3.034 20 0 DGADMP COCC[N@@H+](CC/C=C\c1ccccc1)CC1CC[NH+](C)CC1 ZINC001644099506 1195081013 /nfs/dbraw/zinc/08/10/13/1195081013.db2.gz UURZZRDHGWASPG-POHAHGRESA-N 2 1 316.489 3.380 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CO2)CCCCC3)[C@H](C)C1 ZINC001644794001 1195135303 /nfs/dbraw/zinc/13/53/03/1195135303.db2.gz AKXSLGFYEGYXTP-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC3(CO2)CCCCC3)[C@H](C)C1 ZINC001644794001 1195135307 /nfs/dbraw/zinc/13/53/07/1195135307.db2.gz AKXSLGFYEGYXTP-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC3(CO2)CCCCC3)[C@H](C)C1 ZINC001644794001 1195135308 /nfs/dbraw/zinc/13/53/08/1195135308.db2.gz AKXSLGFYEGYXTP-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(=O)/C=C/C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001645013103 1195151091 /nfs/dbraw/zinc/15/10/91/1195151091.db2.gz HJWXUIPTIQPUCI-BQYQJAHWSA-N 2 1 324.509 3.186 20 0 DGADMP CO[C@@H](C)C[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001645524122 1195191471 /nfs/dbraw/zinc/19/14/71/1195191471.db2.gz BOSAMSAQKZQXRV-SFHVURJKSA-N 2 1 318.505 3.298 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001646461347 1195229968 /nfs/dbraw/zinc/22/99/68/1195229968.db2.gz CAONMVHPZQXXKK-JXFKEZNVSA-N 2 1 312.457 3.289 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001646461347 1195229972 /nfs/dbraw/zinc/22/99/72/1195229972.db2.gz CAONMVHPZQXXKK-JXFKEZNVSA-N 2 1 312.457 3.289 20 0 DGADMP CC[C@H](C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035525 1195272467 /nfs/dbraw/zinc/27/24/67/1195272467.db2.gz LJZTXUJKTTZTKA-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1)C[NH+](C)C ZINC001651135719 1195418055 /nfs/dbraw/zinc/41/80/55/1195418055.db2.gz FVCSDUUHSFQSRF-JTQLQIEISA-N 2 1 319.674 3.390 20 0 DGADMP COc1ccc2nc(C[NH2+]Cc3ccc4c[nH+]cn4c3)sc2c1 ZINC001651194463 1195425418 /nfs/dbraw/zinc/42/54/18/1195425418.db2.gz RGMMATBIHATDBR-UHFFFAOYSA-N 2 1 324.409 3.242 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC001651697663 1195497901 /nfs/dbraw/zinc/49/79/01/1195497901.db2.gz FTDMJMMVRQDHJF-LXZKKBNFSA-N 2 1 315.848 3.318 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC001651697663 1195497904 /nfs/dbraw/zinc/49/79/04/1195497904.db2.gz FTDMJMMVRQDHJF-LXZKKBNFSA-N 2 1 315.848 3.318 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC001651705748 1195499243 /nfs/dbraw/zinc/49/92/43/1195499243.db2.gz AMOMSSXOQLMETE-HNNXBMFYSA-N 2 1 303.494 3.479 20 0 DGADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1cc[nH]n1)C1CCCCC1 ZINC000066974009 1195580828 /nfs/dbraw/zinc/58/08/28/1195580828.db2.gz GUQGOCUYZWKRHA-UHFFFAOYSA-N 2 1 312.461 3.464 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cc[nH]n1)C1CCCCC1 ZINC000066974009 1195580831 /nfs/dbraw/zinc/58/08/31/1195580831.db2.gz GUQGOCUYZWKRHA-UHFFFAOYSA-N 2 1 312.461 3.464 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000067222773 1195608732 /nfs/dbraw/zinc/60/87/32/1195608732.db2.gz WEBUAPCONYPVMH-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C2 ZINC001652767018 1195649305 /nfs/dbraw/zinc/64/93/05/1195649305.db2.gz DXSIHSWMUNMJBB-LMMKCTJWSA-N 2 1 324.509 3.066 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)ccc2O1 ZINC001653025954 1195681696 /nfs/dbraw/zinc/68/16/96/1195681696.db2.gz SEDNRPDWYURYIT-JKSUJKDBSA-N 2 1 323.440 3.116 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001653035023 1195682700 /nfs/dbraw/zinc/68/27/00/1195682700.db2.gz KEQLUBFRABCBRU-QGZVFWFLSA-N 2 1 305.372 3.372 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001653367151 1195715292 /nfs/dbraw/zinc/71/52/92/1195715292.db2.gz OTSDRNCWSOGLCJ-MAUKXSAKSA-N 2 1 308.441 3.052 20 0 DGADMP CCc1ccc2ccccc2c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001653479890 1195728250 /nfs/dbraw/zinc/72/82/50/1195728250.db2.gz KMWZKAPXNNTYHD-UHFFFAOYSA-N 2 1 320.440 3.448 20 0 DGADMP CCc1ccccc1CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001653533997 1195731448 /nfs/dbraw/zinc/73/14/48/1195731448.db2.gz SIUGNISOPKIAMS-HXUWFJFHSA-N 2 1 318.505 3.224 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC4(CO3)CCCCC4)CC[C@@H]21 ZINC001653554382 1195733771 /nfs/dbraw/zinc/73/37/71/1195733771.db2.gz WDJSPAWSINNZAY-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CCCCC4)CC[C@@H]21 ZINC001653554382 1195733775 /nfs/dbraw/zinc/73/37/75/1195733775.db2.gz WDJSPAWSINNZAY-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)CC[C@@H]21 ZINC001653554382 1195733778 /nfs/dbraw/zinc/73/37/78/1195733778.db2.gz WDJSPAWSINNZAY-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001653635084 1195740025 /nfs/dbraw/zinc/74/00/25/1195740025.db2.gz RARCLHKUWAEMAV-UHFFFAOYSA-N 2 1 318.505 3.383 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001654512770 1195811547 /nfs/dbraw/zinc/81/15/47/1195811547.db2.gz XHBQPTBJHHTHBB-SFHVURJKSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001654512770 1195811549 /nfs/dbraw/zinc/81/15/49/1195811549.db2.gz XHBQPTBJHHTHBB-SFHVURJKSA-N 2 1 319.493 3.420 20 0 DGADMP COc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1OC(C)C ZINC000069751920 1195816985 /nfs/dbraw/zinc/81/69/85/1195816985.db2.gz WKAAHULIGAADAF-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1OC(C)C ZINC000069751918 1195817062 /nfs/dbraw/zinc/81/70/62/1195817062.db2.gz WKAAHULIGAADAF-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C1CCCCC1)C1CCCCC1 ZINC001654619319 1195824244 /nfs/dbraw/zinc/82/42/44/1195824244.db2.gz CGINLRSIMKCBBK-GOSISDBHSA-N 2 1 310.526 3.418 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001654659501 1195827041 /nfs/dbraw/zinc/82/70/41/1195827041.db2.gz BSLMCTYZHLVLLD-CCKFTAQKSA-N 2 1 311.404 3.287 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC001655210960 1195891069 /nfs/dbraw/zinc/89/10/69/1195891069.db2.gz LRYSUOPQHZHDQE-UYAOXDASSA-N 2 1 315.505 3.288 20 0 DGADMP CC[C@H](C[NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001655273522 1195898313 /nfs/dbraw/zinc/89/83/13/1195898313.db2.gz ABIABORTPGYQES-LJQANCHMSA-N 2 1 317.521 3.188 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001655727139 1195957320 /nfs/dbraw/zinc/95/73/20/1195957320.db2.gz RTZITWGTFHDLDE-MOPGFXCFSA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001655727139 1195957321 /nfs/dbraw/zinc/95/73/21/1195957321.db2.gz RTZITWGTFHDLDE-MOPGFXCFSA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001655727139 1195957322 /nfs/dbraw/zinc/95/73/22/1195957322.db2.gz RTZITWGTFHDLDE-MOPGFXCFSA-N 2 1 318.505 3.203 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001655886548 1195973932 /nfs/dbraw/zinc/97/39/32/1195973932.db2.gz OKKFBPZAXDUJKO-LJQANCHMSA-N 2 1 313.445 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001655886548 1195973935 /nfs/dbraw/zinc/97/39/35/1195973935.db2.gz OKKFBPZAXDUJKO-LJQANCHMSA-N 2 1 313.445 3.435 20 0 DGADMP CC(C)c1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)nc(C(C)C)n1 ZINC001655956116 1195982910 /nfs/dbraw/zinc/98/29/10/1195982910.db2.gz ZAZJKHFKKGHDJC-SOUVJXGZSA-N 2 1 302.466 3.476 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001655962018 1195983523 /nfs/dbraw/zinc/98/35/23/1195983523.db2.gz GPYGDZXRWYBENM-QUCCMNQESA-N 2 1 316.489 3.446 20 0 DGADMP FC(F)COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001655996089 1195985671 /nfs/dbraw/zinc/98/56/71/1195985671.db2.gz AWLQAGJTFBVDOV-UHFFFAOYSA-N 2 1 310.388 3.047 20 0 DGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001656071499 1195993722 /nfs/dbraw/zinc/99/37/22/1195993722.db2.gz VENDUBINSDGYQV-OAQYLSRUSA-N 2 1 324.468 3.105 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC001656194407 1196016094 /nfs/dbraw/zinc/01/60/94/1196016094.db2.gz CZHPKICWVUAHRS-UHFFFAOYSA-N 2 1 310.526 3.418 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001656632644 1196056473 /nfs/dbraw/zinc/05/64/73/1196056473.db2.gz HYUJCTFSEXWNPP-IAGOWNOFSA-N 2 1 313.445 3.206 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC001656798369 1196071643 /nfs/dbraw/zinc/07/16/43/1196071643.db2.gz CMSPSCYOCKIPBH-VQTJNVASSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC001656798369 1196071651 /nfs/dbraw/zinc/07/16/51/1196071651.db2.gz CMSPSCYOCKIPBH-VQTJNVASSA-N 2 1 307.441 3.465 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001656798312 1196072004 /nfs/dbraw/zinc/07/20/04/1196072004.db2.gz ACMAYHUBSTWRLA-HZPDHXFCSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001656798312 1196072005 /nfs/dbraw/zinc/07/20/05/1196072005.db2.gz ACMAYHUBSTWRLA-HZPDHXFCSA-N 2 1 310.388 3.047 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC001656812537 1196073037 /nfs/dbraw/zinc/07/30/37/1196073037.db2.gz UWTXDNYFXMDCJI-DOTOQJQBSA-N 2 1 320.477 3.304 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccncc2C)cc1F ZINC001656927317 1196084364 /nfs/dbraw/zinc/08/43/64/1196084364.db2.gz BBLQQZAPIHCLCB-UHFFFAOYSA-N 2 1 310.376 3.313 20 0 DGADMP O[C@H](C[NH2+]Cc1ccc2oc3ccccc3c2c1)C[NH+]1CCCC1 ZINC001656947077 1196085684 /nfs/dbraw/zinc/08/56/84/1196085684.db2.gz KDVOIWXLQVFWSU-MRXNPFEDSA-N 2 1 324.424 3.132 20 0 DGADMP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001657145698 1196110428 /nfs/dbraw/zinc/11/04/28/1196110428.db2.gz MGPZBDFMSCMDBE-CVEARBPZSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC001657145698 1196110431 /nfs/dbraw/zinc/11/04/31/1196110431.db2.gz MGPZBDFMSCMDBE-CVEARBPZSA-N 2 1 317.477 3.223 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC001657148566 1196111543 /nfs/dbraw/zinc/11/15/43/1196111543.db2.gz ITNXLDQTXSJOJI-LXZKKBNFSA-N 2 1 315.848 3.318 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159831 1196113103 /nfs/dbraw/zinc/11/31/03/1196113103.db2.gz VYIYCAQZJCOODR-CWRNSKLLSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159831 1196113105 /nfs/dbraw/zinc/11/31/05/1196113105.db2.gz VYIYCAQZJCOODR-CWRNSKLLSA-N 2 1 305.441 3.169 20 0 DGADMP CC(C)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Oc1ccccc1 ZINC001657190699 1196116677 /nfs/dbraw/zinc/11/66/77/1196116677.db2.gz GKPKHMXTLDLRPF-QGZVFWFLSA-N 2 1 302.462 3.262 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657471576 1196146741 /nfs/dbraw/zinc/14/67/41/1196146741.db2.gz NTCDGBRPXHMUCJ-UYAOXDASSA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657471576 1196146744 /nfs/dbraw/zinc/14/67/44/1196146744.db2.gz NTCDGBRPXHMUCJ-UYAOXDASSA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657471576 1196146746 /nfs/dbraw/zinc/14/67/46/1196146746.db2.gz NTCDGBRPXHMUCJ-UYAOXDASSA-N 2 1 318.505 3.194 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1 ZINC001657502367 1196149411 /nfs/dbraw/zinc/14/94/11/1196149411.db2.gz BJHKLUGMFWSGJS-APWZRJJASA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)[C@H](O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001657552224 1196154081 /nfs/dbraw/zinc/15/40/81/1196154081.db2.gz IXYBGKMHXVHHPH-PKOBYXMFSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001657628186 1196162005 /nfs/dbraw/zinc/16/20/05/1196162005.db2.gz SXNDLUVYGUGNKL-UHFFFAOYSA-N 2 1 304.478 3.468 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001657628186 1196162009 /nfs/dbraw/zinc/16/20/09/1196162009.db2.gz SXNDLUVYGUGNKL-UHFFFAOYSA-N 2 1 304.478 3.468 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC001657986900 1196198628 /nfs/dbraw/zinc/19/86/28/1196198628.db2.gz HNAYFSNGUNNOFV-AWEZNQCLSA-N 2 1 320.481 3.500 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC001658176029 1196221522 /nfs/dbraw/zinc/22/15/22/1196221522.db2.gz WROZNYAJPJQAGB-XHSDSOJGSA-N 2 1 312.379 3.221 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC001658262674 1196232876 /nfs/dbraw/zinc/23/28/76/1196232876.db2.gz HQWXSTGYWZGFJI-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001658262674 1196232879 /nfs/dbraw/zinc/23/28/79/1196232879.db2.gz HQWXSTGYWZGFJI-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001658262674 1196232886 /nfs/dbraw/zinc/23/28/86/1196232886.db2.gz HQWXSTGYWZGFJI-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC001658262674 1196232891 /nfs/dbraw/zinc/23/28/91/1196232891.db2.gz HQWXSTGYWZGFJI-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC001658262674 1196232896 /nfs/dbraw/zinc/23/28/96/1196232896.db2.gz HQWXSTGYWZGFJI-MAUKXSAKSA-N 2 1 306.425 3.141 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCSC4)[C@H]3C2)cc1 ZINC001658576971 1196276085 /nfs/dbraw/zinc/27/60/85/1196276085.db2.gz BZNNKOQWGWCHOE-VJANTYMQSA-N 2 1 316.514 3.382 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+](C)C)[C@H]1Sc1ccccc1 ZINC001658642347 1196283507 /nfs/dbraw/zinc/28/35/07/1196283507.db2.gz UQEHAZGOEDCRMN-DZJNRPSUSA-N 2 1 322.518 3.255 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC4(COC(C)(C)C4)CC3)[C@H]2C1 ZINC001658778275 1196300100 /nfs/dbraw/zinc/30/01/00/1196300100.db2.gz VDEMYYDBVIRXLO-XFJWBHNPSA-N 2 1 306.494 3.044 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(C(C)C)CC2)CC1 ZINC001658995105 1196330088 /nfs/dbraw/zinc/33/00/88/1196330088.db2.gz PXTQLSCTGKNFGY-UHFFFAOYSA-N 2 1 310.526 3.493 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001659089974 1196343425 /nfs/dbraw/zinc/34/34/25/1196343425.db2.gz ZTWAOMALASSFHC-LZLYRXPVSA-N 2 1 301.478 3.199 20 0 DGADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001659292356 1196367823 /nfs/dbraw/zinc/36/78/23/1196367823.db2.gz FKVCKYDQFGHISL-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@H]1C1CCC1 ZINC001659292356 1196367833 /nfs/dbraw/zinc/36/78/33/1196367833.db2.gz FKVCKYDQFGHISL-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@H]1C1CCC1 ZINC001659292356 1196367840 /nfs/dbraw/zinc/36/78/40/1196367840.db2.gz FKVCKYDQFGHISL-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC001659292356 1196367845 /nfs/dbraw/zinc/36/78/45/1196367845.db2.gz FKVCKYDQFGHISL-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001659292356 1196367847 /nfs/dbraw/zinc/36/78/47/1196367847.db2.gz FKVCKYDQFGHISL-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CO ZINC001659628146 1196400792 /nfs/dbraw/zinc/40/07/92/1196400792.db2.gz SMFIZUNQRQUEDH-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP Cc1cncc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785344 1196413767 /nfs/dbraw/zinc/41/37/67/1196413767.db2.gz LLAQSGVCHHWPKA-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cncc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785344 1196413769 /nfs/dbraw/zinc/41/37/69/1196413769.db2.gz LLAQSGVCHHWPKA-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1csc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000075780410 1196420912 /nfs/dbraw/zinc/42/09/12/1196420912.db2.gz HXOXIWAOJRTBLK-UHFFFAOYSA-N 2 1 315.486 3.248 20 0 DGADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2(C)C)cc1 ZINC001659950953 1196432180 /nfs/dbraw/zinc/43/21/80/1196432180.db2.gz SOXNXAZIGPIBEL-RTBURBONSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950953 1196432183 /nfs/dbraw/zinc/43/21/83/1196432183.db2.gz SOXNXAZIGPIBEL-RTBURBONSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950953 1196432186 /nfs/dbraw/zinc/43/21/86/1196432186.db2.gz SOXNXAZIGPIBEL-RTBURBONSA-N 2 1 318.505 3.264 20 0 DGADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001660011519 1196437845 /nfs/dbraw/zinc/43/78/45/1196437845.db2.gz WERPTDITAJQUES-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP CC1(C)CCC[N@H+]1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001660011519 1196437848 /nfs/dbraw/zinc/43/78/48/1196437848.db2.gz WERPTDITAJQUES-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1C(F)(F)F ZINC001660101522 1196445166 /nfs/dbraw/zinc/44/51/66/1196445166.db2.gz BQRACWAZHHJCJB-ZBFHGGJFSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1C(F)(F)F ZINC001660101522 1196445169 /nfs/dbraw/zinc/44/51/69/1196445169.db2.gz BQRACWAZHHJCJB-ZBFHGGJFSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)ccc1C(F)(F)F ZINC001660101522 1196445173 /nfs/dbraw/zinc/44/51/73/1196445173.db2.gz BQRACWAZHHJCJB-ZBFHGGJFSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)ccc1C(F)(F)F ZINC001660101522 1196445175 /nfs/dbraw/zinc/44/51/75/1196445175.db2.gz BQRACWAZHHJCJB-ZBFHGGJFSA-N 2 1 312.379 3.397 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001660146416 1196450913 /nfs/dbraw/zinc/45/09/13/1196450913.db2.gz WJZAJJMHCRXFAT-BHIYHBOVSA-N 2 1 307.526 3.103 20 0 DGADMP CCNc1ccccc1CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001660250939 1196461975 /nfs/dbraw/zinc/46/19/75/1196461975.db2.gz SPWNJAZMEWCJJU-BGYRXZFFSA-N 2 1 313.489 3.426 20 0 DGADMP CCNc1ccccc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001660250939 1196461984 /nfs/dbraw/zinc/46/19/84/1196461984.db2.gz SPWNJAZMEWCJJU-BGYRXZFFSA-N 2 1 313.489 3.426 20 0 DGADMP CCNc1ccccc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001660250939 1196461986 /nfs/dbraw/zinc/46/19/86/1196461986.db2.gz SPWNJAZMEWCJJU-BGYRXZFFSA-N 2 1 313.489 3.426 20 0 DGADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC001660379760 1196477002 /nfs/dbraw/zinc/47/70/02/1196477002.db2.gz DBBJJXDJSKTWMT-HKUYNNGSSA-N 2 1 308.510 3.293 20 0 DGADMP CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001660576467 1196498797 /nfs/dbraw/zinc/49/87/97/1196498797.db2.gz CFZGMNMYLQURDO-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001660576467 1196498799 /nfs/dbraw/zinc/49/87/99/1196498799.db2.gz CFZGMNMYLQURDO-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001660576467 1196498802 /nfs/dbraw/zinc/49/88/02/1196498802.db2.gz CFZGMNMYLQURDO-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c(C)c1OC ZINC001660850787 1196534872 /nfs/dbraw/zinc/53/48/72/1196534872.db2.gz ZPRWSDIALFJJGA-UHFFFAOYSA-N 2 1 308.466 3.032 20 0 DGADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c(C)c1OC ZINC001660850787 1196534878 /nfs/dbraw/zinc/53/48/78/1196534878.db2.gz ZPRWSDIALFJJGA-UHFFFAOYSA-N 2 1 308.466 3.032 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001660860395 1196536909 /nfs/dbraw/zinc/53/69/09/1196536909.db2.gz KMEBFYARGUXTLX-UHFFFAOYSA-N 2 1 320.525 3.465 20 0 DGADMP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001660902057 1196541310 /nfs/dbraw/zinc/54/13/10/1196541310.db2.gz JMCOCPDXGPVKRX-VQTJNVASSA-N 2 1 316.489 3.372 20 0 DGADMP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001660902057 1196541312 /nfs/dbraw/zinc/54/13/12/1196541312.db2.gz JMCOCPDXGPVKRX-VQTJNVASSA-N 2 1 316.489 3.372 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1 ZINC001660929604 1196543569 /nfs/dbraw/zinc/54/35/69/1196543569.db2.gz XCPRPLXKBMTUOE-LPOOJTIXSA-N 2 1 302.462 3.117 20 0 DGADMP CC[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001661454843 1196606765 /nfs/dbraw/zinc/60/67/65/1196606765.db2.gz WIRFRORMSLPWGT-MJGOQNOKSA-N 2 1 304.478 3.007 20 0 DGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001661482310 1196610583 /nfs/dbraw/zinc/61/05/83/1196610583.db2.gz IDNKQDYWMKWNPT-BZSNNMDCSA-N 2 1 323.525 3.066 20 0 DGADMP CCOc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)ccc1OC ZINC001662172928 1196690679 /nfs/dbraw/zinc/69/06/79/1196690679.db2.gz AQWSNXHTDRCFRO-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2nccn21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188196 1196691863 /nfs/dbraw/zinc/69/18/63/1196691863.db2.gz PBZDGFGVHKAPKR-HZPDHXFCSA-N 2 1 312.461 3.077 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001663483090 1196882387 /nfs/dbraw/zinc/88/23/87/1196882387.db2.gz IODYKCDVJJYCBS-FVQBIDKESA-N 2 1 312.379 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC001663686512 1196928566 /nfs/dbraw/zinc/92/85/66/1196928566.db2.gz YATGRVJOCHHHDO-UHFFFAOYSA-N 2 1 302.462 3.336 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](C)c1ccccc1 ZINC001664590720 1197017841 /nfs/dbraw/zinc/01/78/41/1197017841.db2.gz AAYWIPGFDFZDSJ-AZUAARDMSA-N 2 1 317.521 3.138 20 0 DGADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001665937604 1197218601 /nfs/dbraw/zinc/21/86/01/1197218601.db2.gz RFQNABSBGSSFEV-LUKYLMHMSA-N 2 1 324.509 3.064 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000120023588 1197648226 /nfs/dbraw/zinc/64/82/26/1197648226.db2.gz GCMJZJDKWBIPQH-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000103173936 1199483291 /nfs/dbraw/zinc/48/32/91/1199483291.db2.gz XSFMUABYNLMRDL-FQEVSTJZSA-N 2 1 324.468 3.349 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000103343630 1199490156 /nfs/dbraw/zinc/49/01/56/1199490156.db2.gz CWXWZGFFLLVKBO-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000105449015 1199541478 /nfs/dbraw/zinc/54/14/78/1199541478.db2.gz SBLDJDGLXVSLHV-UHFFFAOYSA-N 2 1 322.456 3.315 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000105449015 1199541480 /nfs/dbraw/zinc/54/14/80/1199541480.db2.gz SBLDJDGLXVSLHV-UHFFFAOYSA-N 2 1 322.456 3.315 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000105457172 1199542190 /nfs/dbraw/zinc/54/21/90/1199542190.db2.gz DWUKZKQUQBVTEB-CQSZACIVSA-N 2 1 318.490 3.348 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000105457726 1199542310 /nfs/dbraw/zinc/54/23/10/1199542310.db2.gz NNHFHIYGMUDRNP-HNNXBMFYSA-N 2 1 312.404 3.498 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000105457380 1199542974 /nfs/dbraw/zinc/54/29/74/1199542974.db2.gz XICRBQHXVHEGTH-INIZCTEOSA-N 2 1 312.461 3.287 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000108429143 1199604584 /nfs/dbraw/zinc/60/45/84/1199604584.db2.gz XJUPLSZEQWHWPD-ZDUSSCGKSA-N 2 1 318.852 3.162 20 0 DGADMP Cc1cccnc1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309706563 1199708763 /nfs/dbraw/zinc/70/87/63/1199708763.db2.gz HYFBLJPCRYVJRF-LJQANCHMSA-N 2 1 309.457 3.392 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309706563 1199708770 /nfs/dbraw/zinc/70/87/70/1199708770.db2.gz HYFBLJPCRYVJRF-LJQANCHMSA-N 2 1 309.457 3.392 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311903636 1199746772 /nfs/dbraw/zinc/74/67/72/1199746772.db2.gz YPCAWFFFMXNDQW-CZUORRHYSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000420958114 1199759528 /nfs/dbraw/zinc/75/95/28/1199759528.db2.gz CNJMKGZNTBIJQJ-RSPOEFSDSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000420958114 1199759533 /nfs/dbraw/zinc/75/95/33/1199759533.db2.gz CNJMKGZNTBIJQJ-RSPOEFSDSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000420958114 1199759537 /nfs/dbraw/zinc/75/95/37/1199759537.db2.gz CNJMKGZNTBIJQJ-RSPOEFSDSA-N 2 1 314.473 3.008 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000316968378 1199820413 /nfs/dbraw/zinc/82/04/13/1199820413.db2.gz JXSGZBKQUYXCNE-HIFRSBDPSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000316968378 1199820415 /nfs/dbraw/zinc/82/04/15/1199820415.db2.gz JXSGZBKQUYXCNE-HIFRSBDPSA-N 2 1 314.351 3.159 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000318582800 1199832912 /nfs/dbraw/zinc/83/29/12/1199832912.db2.gz DOLMXNKCEVXORP-QFBILLFUSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344059 1199837837 /nfs/dbraw/zinc/83/78/37/1199837837.db2.gz RFXVJYLAPWUECG-QAPCUYQASA-N 2 1 315.848 3.449 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344059 1199837841 /nfs/dbraw/zinc/83/78/41/1199837841.db2.gz RFXVJYLAPWUECG-QAPCUYQASA-N 2 1 315.848 3.449 20 0 DGADMP CCCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000120633491 1200162928 /nfs/dbraw/zinc/16/29/28/1200162928.db2.gz IYPOHXKBXNCURJ-QFBILLFUSA-N 2 1 304.478 3.312 20 0 DGADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000120793863 1200171953 /nfs/dbraw/zinc/17/19/53/1200171953.db2.gz XRDCYISEQKZLPB-INIZCTEOSA-N 2 1 320.477 3.161 20 0 DGADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000120793863 1200171958 /nfs/dbraw/zinc/17/19/58/1200171958.db2.gz XRDCYISEQKZLPB-INIZCTEOSA-N 2 1 320.477 3.161 20 0 DGADMP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000120966310 1200187533 /nfs/dbraw/zinc/18/75/33/1200187533.db2.gz VQBLPPCQQVZEGO-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP CC[C@@H](C[NH2+][C@@H]1CCc2ccc(OC)cc2C1)[NH+]1CCCC1 ZINC000121039339 1200190765 /nfs/dbraw/zinc/19/07/65/1200190765.db2.gz DJDFHZIUWQUWSM-MSOLQXFVSA-N 2 1 302.462 3.017 20 0 DGADMP CC[C@@H](C[NH2+][C@H]1CCc2ccc(OC)cc2C1)[NH+]1CCCC1 ZINC000121039605 1200191399 /nfs/dbraw/zinc/19/13/99/1200191399.db2.gz DJDFHZIUWQUWSM-ROUUACIJSA-N 2 1 302.462 3.017 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001690459973 1200575522 /nfs/dbraw/zinc/57/55/22/1200575522.db2.gz WUZVSXGBKDIFSF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001690459973 1200575525 /nfs/dbraw/zinc/57/55/25/1200575525.db2.gz WUZVSXGBKDIFSF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001690459973 1200575529 /nfs/dbraw/zinc/57/55/29/1200575529.db2.gz WUZVSXGBKDIFSF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001692118427 1200936686 /nfs/dbraw/zinc/93/66/86/1200936686.db2.gz OUNPEVCINRIWHD-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001698709939 1201346138 /nfs/dbraw/zinc/34/61/38/1201346138.db2.gz PGTJYFXQARIZCS-WKILWMFISA-N 2 1 323.525 3.065 20 0 DGADMP CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001699635218 1202000812 /nfs/dbraw/zinc/00/08/12/1202000812.db2.gz OOGFVCGGRFBFMW-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001699635218 1202000816 /nfs/dbraw/zinc/00/08/16/1202000816.db2.gz OOGFVCGGRFBFMW-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001699635218 1202000821 /nfs/dbraw/zinc/00/08/21/1202000821.db2.gz OOGFVCGGRFBFMW-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001707194035 1202576227 /nfs/dbraw/zinc/57/62/27/1202576227.db2.gz DUQRMEVYYVOGSU-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001707194035 1202576228 /nfs/dbraw/zinc/57/62/28/1202576228.db2.gz DUQRMEVYYVOGSU-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001707194035 1202576229 /nfs/dbraw/zinc/57/62/29/1202576229.db2.gz DUQRMEVYYVOGSU-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000155969478 1202599546 /nfs/dbraw/zinc/59/95/46/1202599546.db2.gz QULHYVGXHUEKPQ-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000157239726 1202602190 /nfs/dbraw/zinc/60/21/90/1202602190.db2.gz VHXIJRDOULWXAP-HNNXBMFYSA-N 2 1 318.461 3.229 20 0 DGADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000236640296 1202615911 /nfs/dbraw/zinc/61/59/11/1202615911.db2.gz ZWCIGZPBHLIRKO-YSIASYRMSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)C[C@H](CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000236640296 1202615912 /nfs/dbraw/zinc/61/59/12/1202615912.db2.gz ZWCIGZPBHLIRKO-YSIASYRMSA-N 2 1 317.521 3.388 20 0 DGADMP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000236772929 1202624357 /nfs/dbraw/zinc/62/43/57/1202624357.db2.gz UPZUCKMGSZEIMC-UHFFFAOYSA-N 2 1 302.462 3.057 20 0 DGADMP CCc1oc2ccccc2c1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000237088872 1202646535 /nfs/dbraw/zinc/64/65/35/1202646535.db2.gz MXFKCJCCOYOYLG-UHFFFAOYSA-N 2 1 316.445 3.196 20 0 DGADMP CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715074509 1203263751 /nfs/dbraw/zinc/26/37/51/1203263751.db2.gz NZUBGLKDZOTFRQ-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000162297135 1203442579 /nfs/dbraw/zinc/44/25/79/1203442579.db2.gz RZYKDHOHRLLGQF-GFCCVEGCSA-N 2 1 300.368 3.320 20 0 DGADMP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001732442264 1204843178 /nfs/dbraw/zinc/84/31/78/1204843178.db2.gz FCMWWXVLPFUFDK-MZIIKBMYSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001733356405 1205104339 /nfs/dbraw/zinc/10/43/39/1205104339.db2.gz KJHRUFIASXYXQJ-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP COc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH+]c2ccccc21 ZINC001164767897 721294014 /nfs/dbraw/zinc/29/40/14/721294014.db2.gz BDOBKQCWQRTUIU-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP COc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH+]c2ccccc21 ZINC001164767897 721294023 /nfs/dbraw/zinc/29/40/23/721294023.db2.gz BDOBKQCWQRTUIU-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP Cc1cc2c(nc[nH+]c2N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001165047522 721968428 /nfs/dbraw/zinc/96/84/28/721968428.db2.gz JYMLUICPAZGYGQ-OAHLLOKOSA-N 2 1 313.449 3.111 20 0 DGADMP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3C(C)C)CC1 ZINC001165052859 722005077 /nfs/dbraw/zinc/00/50/77/722005077.db2.gz FIMFVPUQLCLLTL-UHFFFAOYSA-N 2 1 315.465 3.323 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(OC(F)F)cc3)C[C@H]2C1 ZINC001204423698 1081634181 /nfs/dbraw/zinc/63/41/81/1081634181.db2.gz FRJXWXOSHKOVRV-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC001204423698 1081634185 /nfs/dbraw/zinc/63/41/85/1081634185.db2.gz FRJXWXOSHKOVRV-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC001204423698 1081634187 /nfs/dbraw/zinc/63/41/87/1081634187.db2.gz FRJXWXOSHKOVRV-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC001204423698 1081634192 /nfs/dbraw/zinc/63/41/92/1081634192.db2.gz FRJXWXOSHKOVRV-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC001204423698 1081634195 /nfs/dbraw/zinc/63/41/95/1081634195.db2.gz FRJXWXOSHKOVRV-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC001208613639 1081637510 /nfs/dbraw/zinc/63/75/10/1081637510.db2.gz XANVPGXMCKULPW-SFHVURJKSA-N 2 1 304.453 3.422 20 0 DGADMP CC(=O)OC(C)(C)CCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209154913 1081692325 /nfs/dbraw/zinc/69/23/25/1081692325.db2.gz AABITTFYRVVPKK-ZWKOTPCHSA-N 2 1 324.509 3.447 20 0 DGADMP CC(=O)OC(C)(C)CCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209154913 1081692328 /nfs/dbraw/zinc/69/23/28/1081692328.db2.gz AABITTFYRVVPKK-ZWKOTPCHSA-N 2 1 324.509 3.447 20 0 DGADMP CC1(C)CC([N@@H+](CCC[NH3+])C2CCCCC2)CC(C)(C)N1O ZINC001169974444 1081745187 /nfs/dbraw/zinc/74/51/87/1081745187.db2.gz FZOAANQZNHDUJJ-UHFFFAOYSA-N 2 1 311.514 3.381 20 0 DGADMP CCOc1cccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001648811586 1081915758 /nfs/dbraw/zinc/91/57/58/1081915758.db2.gz QQSBSQOMAYEDHJ-CALCHBBNSA-N 2 1 319.493 3.328 20 0 DGADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC001648816674 1081930063 /nfs/dbraw/zinc/93/00/63/1081930063.db2.gz DIZDZCXLJQODEA-INIZCTEOSA-N 2 1 306.498 3.203 20 0 DGADMP CCOc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001648817174 1081931060 /nfs/dbraw/zinc/93/10/60/1081931060.db2.gz XKHAQXSFRCSHRP-MRXNPFEDSA-N 2 1 305.466 3.082 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCCC(C)C ZINC001170082694 1082022370 /nfs/dbraw/zinc/02/23/70/1082022370.db2.gz MSHRJEDUTCNOSL-INIZCTEOSA-N 2 1 300.487 3.018 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001170101804 1082099981 /nfs/dbraw/zinc/09/99/81/1082099981.db2.gz PMBXAAYJTTTYKJ-SZMVWBNQSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@@H]1C[C@H](n2cncc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231221 1082114217 /nfs/dbraw/zinc/11/42/17/1082114217.db2.gz WUUXUMBADGEMLV-APWZRJJASA-N 3 1 324.472 3.186 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266869494 1082289159 /nfs/dbraw/zinc/28/91/59/1082289159.db2.gz YOJSBFFYXFJCSK-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196971 1082316324 /nfs/dbraw/zinc/31/63/24/1082316324.db2.gz UVTXDSRPVGISGW-MKXGPGLRSA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001170410720 1082369778 /nfs/dbraw/zinc/36/97/78/1082369778.db2.gz GNNHCYYXCMHCAY-DOTOQJQBSA-N 2 1 318.461 3.058 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170457077 1082487836 /nfs/dbraw/zinc/48/78/36/1082487836.db2.gz WXSZOPFPUQQZSC-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001207286451 1082523147 /nfs/dbraw/zinc/52/31/47/1082523147.db2.gz RRAKHNYQJOARSR-UHFFFAOYSA-N 2 1 308.441 3.257 20 0 DGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132436194 1082909822 /nfs/dbraw/zinc/90/98/22/1082909822.db2.gz JOGHQLGIJLJBMH-MZIIKBMYSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436194 1082909826 /nfs/dbraw/zinc/90/98/26/1082909826.db2.gz JOGHQLGIJLJBMH-MZIIKBMYSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436194 1082909832 /nfs/dbraw/zinc/90/98/32/1082909832.db2.gz JOGHQLGIJLJBMH-MZIIKBMYSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132436189 1082910069 /nfs/dbraw/zinc/91/00/69/1082910069.db2.gz JOGHQLGIJLJBMH-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436189 1082910076 /nfs/dbraw/zinc/91/00/76/1082910076.db2.gz JOGHQLGIJLJBMH-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436189 1082910082 /nfs/dbraw/zinc/91/00/82/1082910082.db2.gz JOGHQLGIJLJBMH-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001207398870 1082910744 /nfs/dbraw/zinc/91/07/44/1082910744.db2.gz RWDWLDPPDCHBKW-SFHVURJKSA-N 2 1 322.880 3.229 20 0 DGADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001207398834 1082911132 /nfs/dbraw/zinc/91/11/32/1082911132.db2.gz PKCJEIYSVLSCFZ-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132491938 1082926217 /nfs/dbraw/zinc/92/62/17/1082926217.db2.gz ACBDDFJVPOUWGV-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170665638 1083066595 /nfs/dbraw/zinc/06/65/95/1083066595.db2.gz AMMNLVXULYMDRW-VQHPVUNQSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170665638 1083066599 /nfs/dbraw/zinc/06/65/99/1083066599.db2.gz AMMNLVXULYMDRW-VQHPVUNQSA-N 2 1 320.427 3.427 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170682659 1083111316 /nfs/dbraw/zinc/11/13/16/1083111316.db2.gz QGRWKSTVGHEQFJ-AWEZNQCLSA-N 2 1 321.428 3.328 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001352849517 1083120391 /nfs/dbraw/zinc/12/03/91/1083120391.db2.gz MMHNELIJGOCHSX-DSEONOSFSA-N 2 1 304.415 3.172 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3coc(C)n3)CC2)CC1 ZINC001206081635 1083314222 /nfs/dbraw/zinc/31/42/22/1083314222.db2.gz RBRYIOMXWUKLKU-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772448 1083329735 /nfs/dbraw/zinc/32/97/35/1083329735.db2.gz DHKAJJQPGAJTTF-LSDHHAIUSA-N 2 1 313.530 3.026 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001134772827 1083329880 /nfs/dbraw/zinc/32/98/80/1083329880.db2.gz IDUPZHHHNKWAGH-HUUCEWRRSA-N 2 1 313.530 3.026 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(N2CCCC2)nc1 ZINC001167752028 1083626943 /nfs/dbraw/zinc/62/69/43/1083626943.db2.gz BGQSLEGLBRJDTG-MRXNPFEDSA-N 2 1 302.466 3.358 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)CC1 ZINC001183512229 1083965026 /nfs/dbraw/zinc/96/50/26/1083965026.db2.gz ZWUBXLWRIFHYNZ-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)CC1 ZINC001183660927 1084002269 /nfs/dbraw/zinc/00/22/69/1084002269.db2.gz CJADRVLTDDDQKT-QGZVFWFLSA-N 2 1 318.509 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)CC1 ZINC001183660927 1084002280 /nfs/dbraw/zinc/00/22/80/1084002280.db2.gz CJADRVLTDDDQKT-QGZVFWFLSA-N 2 1 318.509 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)CC1 ZINC001183660927 1084002293 /nfs/dbraw/zinc/00/22/93/1084002293.db2.gz CJADRVLTDDDQKT-QGZVFWFLSA-N 2 1 318.509 3.444 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205281203 1084014711 /nfs/dbraw/zinc/01/47/11/1084014711.db2.gz RDISNZBADDLICT-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205281203 1084014719 /nfs/dbraw/zinc/01/47/19/1084014719.db2.gz RDISNZBADDLICT-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205280963 1084019513 /nfs/dbraw/zinc/01/95/13/1084019513.db2.gz NCYZPMONWZAEEA-AWEZNQCLSA-N 2 1 302.340 3.114 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205280963 1084019524 /nfs/dbraw/zinc/01/95/24/1084019524.db2.gz NCYZPMONWZAEEA-AWEZNQCLSA-N 2 1 302.340 3.114 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001167825164 1084115945 /nfs/dbraw/zinc/11/59/45/1084115945.db2.gz GMLTYSLELUQNIE-AEFFLSMTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001167827847 1084125998 /nfs/dbraw/zinc/12/59/98/1084125998.db2.gz YICIQQGUCTXOOZ-MJGOQNOKSA-N 2 1 319.493 3.435 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccc2c1OCO2 ZINC001167835709 1084158960 /nfs/dbraw/zinc/15/89/60/1084158960.db2.gz UBPWVVFCHVBESA-OAHLLOKOSA-N 2 1 306.450 3.358 20 0 DGADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167839535 1084162901 /nfs/dbraw/zinc/16/29/01/1084162901.db2.gz ZIOBNDOYLPHFEW-IRXDYDNUSA-N 2 1 312.498 3.162 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)c1ccccc1 ZINC001184387336 1084168465 /nfs/dbraw/zinc/16/84/65/1084168465.db2.gz JSKOOXYMFLEPOI-NCXUSEDFSA-N 2 1 302.462 3.083 20 0 DGADMP CCOC(=O)[C@]1(C)CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167840664 1084173902 /nfs/dbraw/zinc/17/39/02/1084173902.db2.gz HCZZQTDZZXFYLO-FUHWJXTLSA-N 2 1 312.498 3.162 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082995 1084580027 /nfs/dbraw/zinc/58/00/27/1084580027.db2.gz QSIMDZJYNIFJOI-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP [NH2+]=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)SCC[NH3+] ZINC001167914823 1084645432 /nfs/dbraw/zinc/64/54/32/1084645432.db2.gz ABRWCZOLSQOJFJ-UHFFFAOYSA-N 2 1 311.414 3.268 20 0 DGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001482223070 1085413042 /nfs/dbraw/zinc/41/30/42/1085413042.db2.gz PHNJIWVBWAYRCK-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001269545580 1085457580 /nfs/dbraw/zinc/45/75/80/1085457580.db2.gz VKUKOAUZGZQERF-KRWDZBQOSA-N 2 1 323.525 3.068 20 0 DGADMP Clc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167971283 1085904083 /nfs/dbraw/zinc/90/40/83/1085904083.db2.gz VZWNATLBRMSHCW-ALOPSCKCSA-N 2 1 305.853 3.230 20 0 DGADMP Clc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167971283 1085904086 /nfs/dbraw/zinc/90/40/86/1085904086.db2.gz VZWNATLBRMSHCW-ALOPSCKCSA-N 2 1 305.853 3.230 20 0 DGADMP c1ccc2c(c1)COC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970559 1085904539 /nfs/dbraw/zinc/90/45/39/1085904539.db2.gz MXNJSYRRSPMSFJ-AQDPXUSMSA-N 2 1 312.457 3.253 20 0 DGADMP c1ccc2c(c1)COC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970559 1085904552 /nfs/dbraw/zinc/90/45/52/1085904552.db2.gz MXNJSYRRSPMSFJ-AQDPXUSMSA-N 2 1 312.457 3.253 20 0 DGADMP CC(C)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001167981717 1085932825 /nfs/dbraw/zinc/93/28/25/1085932825.db2.gz GMMWSQMUPHRJSL-PANBIXPWSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](C)C1 ZINC001167981717 1085932831 /nfs/dbraw/zinc/93/28/31/1085932831.db2.gz GMMWSQMUPHRJSL-PANBIXPWSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](C)C1 ZINC001167981717 1085932840 /nfs/dbraw/zinc/93/28/40/1085932840.db2.gz GMMWSQMUPHRJSL-PANBIXPWSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001167981717 1085932849 /nfs/dbraw/zinc/93/28/49/1085932849.db2.gz GMMWSQMUPHRJSL-PANBIXPWSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001167981717 1085932855 /nfs/dbraw/zinc/93/28/55/1085932855.db2.gz GMMWSQMUPHRJSL-PANBIXPWSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](C)C1 ZINC001167981717 1085932863 /nfs/dbraw/zinc/93/28/63/1085932863.db2.gz GMMWSQMUPHRJSL-PANBIXPWSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](C)C1 ZINC001167981717 1085932868 /nfs/dbraw/zinc/93/28/68/1085932868.db2.gz GMMWSQMUPHRJSL-PANBIXPWSA-N 3 1 319.537 3.100 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004864 1086138370 /nfs/dbraw/zinc/13/83/70/1086138370.db2.gz AXEIWJILBNZYBT-IZZQQSIFSA-N 2 1 304.478 3.180 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CCO1 ZINC001204755725 1086162949 /nfs/dbraw/zinc/16/29/49/1086162949.db2.gz HTVRXWPSBQJZJM-QGZVFWFLSA-N 2 1 314.404 3.042 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CCO1 ZINC001204755725 1086162955 /nfs/dbraw/zinc/16/29/55/1086162955.db2.gz HTVRXWPSBQJZJM-QGZVFWFLSA-N 2 1 314.404 3.042 20 0 DGADMP C[C@@H]1CC(N2CCC[N@@H+](C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039451 1086497736 /nfs/dbraw/zinc/49/77/36/1086497736.db2.gz DYAIOZCRZPHEIY-QZTJIDSGSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039875 1086499035 /nfs/dbraw/zinc/49/90/35/1086499035.db2.gz ICFILFUMYVXOGF-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039875 1086499037 /nfs/dbraw/zinc/49/90/37/1086499037.db2.gz ICFILFUMYVXOGF-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039875 1086499043 /nfs/dbraw/zinc/49/90/43/1086499043.db2.gz ICFILFUMYVXOGF-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039875 1086499046 /nfs/dbraw/zinc/49/90/46/1086499046.db2.gz ICFILFUMYVXOGF-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1CC([N@@H+]2CCOC[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041085 1086506894 /nfs/dbraw/zinc/50/68/94/1086506894.db2.gz QSIYMSIHGSLEIW-BZSNNMDCSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@H]1CC([N@H+]2CCOC[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041085 1086506902 /nfs/dbraw/zinc/50/69/02/1086506902.db2.gz QSIYMSIHGSLEIW-BZSNNMDCSA-N 2 1 316.489 3.396 20 0 DGADMP CC[N@@H+](CCOC)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168041504 1086509322 /nfs/dbraw/zinc/50/93/22/1086509322.db2.gz SJBOCLCJQMIWEP-IZZQQSIFSA-N 2 1 304.478 3.396 20 0 DGADMP CC[N@H+](CCOC)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041504 1086509326 /nfs/dbraw/zinc/50/93/26/1086509326.db2.gz SJBOCLCJQMIWEP-IZZQQSIFSA-N 2 1 304.478 3.396 20 0 DGADMP CC[NH+](CCOC)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041504 1086509339 /nfs/dbraw/zinc/50/93/39/1086509339.db2.gz SJBOCLCJQMIWEP-IZZQQSIFSA-N 2 1 304.478 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCSCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168049247 1086574328 /nfs/dbraw/zinc/57/43/28/1086574328.db2.gz ZJZAQFTVJVFOAA-ALXJQNPVSA-N 2 1 304.503 3.477 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCSCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168049247 1086574331 /nfs/dbraw/zinc/57/43/31/1086574331.db2.gz ZJZAQFTVJVFOAA-ALXJQNPVSA-N 2 1 304.503 3.477 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@H](O)C[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064940 1086658218 /nfs/dbraw/zinc/65/82/18/1086658218.db2.gz SOWBWXPGAAJYJT-VIPLHTEESA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@H](O)C[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064940 1086658223 /nfs/dbraw/zinc/65/82/23/1086658223.db2.gz SOWBWXPGAAJYJT-VIPLHTEESA-N 2 1 316.489 3.273 20 0 DGADMP CC1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)CC1 ZINC001168200367 1087048596 /nfs/dbraw/zinc/04/85/96/1087048596.db2.gz AOKSCKVLADAZRU-UHFFFAOYSA-N 2 1 315.505 3.102 20 0 DGADMP CC1CCC([NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CC1 ZINC001168200429 1087048653 /nfs/dbraw/zinc/04/86/53/1087048653.db2.gz CLDJKARBCSDWRI-UHFFFAOYSA-N 2 1 310.482 3.137 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+])C2 ZINC001168242660 1087068839 /nfs/dbraw/zinc/06/88/39/1087068839.db2.gz DSLKDPZRDVYQHF-JXFKEZNVSA-N 2 1 324.468 3.259 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001168260757 1087077838 /nfs/dbraw/zinc/07/78/38/1087077838.db2.gz PSJHRNNHKGPQSC-CRAIPNDOSA-N 2 1 302.462 3.003 20 0 DGADMP Cn1cc2c(cccc2C[NH+]2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC001142468484 1087211733 /nfs/dbraw/zinc/21/17/33/1087211733.db2.gz JCTGSJOKYIXTFV-UHFFFAOYSA-N 2 1 312.461 3.024 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001168314379 1087291299 /nfs/dbraw/zinc/29/12/99/1087291299.db2.gz FSQLJJVVZKVXSP-SOAGJPPSSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168322998 1087293387 /nfs/dbraw/zinc/29/33/87/1087293387.db2.gz MDQFWYLJJYSFGD-DAWZGUTISA-N 2 1 302.462 3.321 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001168322452 1087293532 /nfs/dbraw/zinc/29/35/32/1087293532.db2.gz BWPAEAYJOPBKSX-JLAWEPINSA-N 3 1 307.526 3.200 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC001168327664 1087295578 /nfs/dbraw/zinc/29/55/78/1087295578.db2.gz QTPWCZQDJAGGRB-CTWPCTMYSA-N 2 1 320.452 3.246 20 0 DGADMP CC(C)c1cc(Br)cc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c1 ZINC001204918250 1087459850 /nfs/dbraw/zinc/45/98/50/1087459850.db2.gz ABAYTCSURPJCJM-PHZGNYQRSA-N 2 1 323.278 3.209 20 0 DGADMP Cc1c(F)cccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212142922 1087536774 /nfs/dbraw/zinc/53/67/74/1087536774.db2.gz WVXHIPIYRWRSOS-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP Cc1ccccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145585 1087539902 /nfs/dbraw/zinc/53/99/02/1087539902.db2.gz XRQTXQWVKMKDJX-HNNXBMFYSA-N 2 1 302.422 3.213 20 0 DGADMP c1ccc2c(c1)C[N@H+](C1CC[NH+](CC3CC3)CC1)CCS2 ZINC001168389220 1087548361 /nfs/dbraw/zinc/54/83/61/1087548361.db2.gz LUHDPGKMUSIHNR-UHFFFAOYSA-N 2 1 302.487 3.469 20 0 DGADMP c1ccc2c(c1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)CCS2 ZINC001168389220 1087548363 /nfs/dbraw/zinc/54/83/63/1087548363.db2.gz LUHDPGKMUSIHNR-UHFFFAOYSA-N 2 1 302.487 3.469 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168392632 1087550742 /nfs/dbraw/zinc/55/07/42/1087550742.db2.gz QWOGBADBLVNOGK-HXUWFJFHSA-N 2 1 314.473 3.152 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001168395079 1087551426 /nfs/dbraw/zinc/55/14/26/1087551426.db2.gz LCHWOKYCTIYJGV-IBGZPJMESA-N 2 1 306.494 3.142 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001168395079 1087551429 /nfs/dbraw/zinc/55/14/29/1087551429.db2.gz LCHWOKYCTIYJGV-IBGZPJMESA-N 2 1 306.494 3.142 20 0 DGADMP COc1ccc2c(c1)C[N@H+](C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001168394527 1087551499 /nfs/dbraw/zinc/55/14/99/1087551499.db2.gz AUZRBFWRBFYQBD-UHFFFAOYSA-N 2 1 314.473 3.318 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001168394527 1087551501 /nfs/dbraw/zinc/55/15/01/1087551501.db2.gz AUZRBFWRBFYQBD-UHFFFAOYSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4cc(F)ccc4C3)C2)CC1 ZINC001168438539 1087689599 /nfs/dbraw/zinc/68/95/99/1087689599.db2.gz BKEKUDQMJPCAAD-SFHVURJKSA-N 2 1 302.437 3.101 20 0 DGADMP CC1(C)C[C@H](Nc2nc(N3CCCC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158260114 1087747862 /nfs/dbraw/zinc/74/78/62/1087747862.db2.gz VESRAEVWXBDWPW-KSSFIOAISA-N 2 1 317.481 3.032 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001206641599 1087775880 /nfs/dbraw/zinc/77/58/80/1087775880.db2.gz ZSJDCINJARQZJB-LBPRGKRZSA-N 2 1 319.836 3.155 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117522 1088009869 /nfs/dbraw/zinc/00/98/69/1088009869.db2.gz QBGOMRLNHAPCND-QGZVFWFLSA-N 2 1 306.450 3.071 20 0 DGADMP COC(=O)c1cccc2[nH+]cc(Nc3ccc(C(C)(C)[NH3+])cc3)n21 ZINC001159265895 1088262032 /nfs/dbraw/zinc/26/20/32/1088262032.db2.gz ILKGDMWIXKEFJK-UHFFFAOYSA-N 2 1 324.384 3.058 20 0 DGADMP C[N@H+](Cc1cccc(SC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001235842215 1088420470 /nfs/dbraw/zinc/42/04/70/1088420470.db2.gz MRRKXPZDGVJXQF-LBPRGKRZSA-N 2 1 304.381 3.340 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001159777519 1088480172 /nfs/dbraw/zinc/48/01/72/1088480172.db2.gz MDONBLLLIIEOBS-LBPRGKRZSA-N 2 1 307.319 3.343 20 0 DGADMP CN(C)c1cc[nH+]c(N(CC[NH3+])c2cccc3ccccc32)c1 ZINC001154683471 1088712259 /nfs/dbraw/zinc/71/22/59/1088712259.db2.gz KTULCXHEFHWLMJ-UHFFFAOYSA-N 2 1 306.413 3.398 20 0 DGADMP FC(F)(F)c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cs1 ZINC001236321412 1088803297 /nfs/dbraw/zinc/80/32/97/1088803297.db2.gz JNSMADVLTAYFDE-TXEJJXNPSA-N 2 1 304.381 3.198 20 0 DGADMP Cc1[nH]c2nc[nH+]c(N(Cc3ccccc3)C[C@H](C)C[NH3+])c2c1C ZINC001160661928 1088908524 /nfs/dbraw/zinc/90/85/24/1088908524.db2.gz LDRGOJVOMXMWBQ-CYBMUJFWSA-N 2 1 323.444 3.176 20 0 DGADMP COc1cc2cc[nH+]c(NCc3ccccc3C[NH3+])c2cc1F ZINC001160912289 1089015784 /nfs/dbraw/zinc/01/57/84/1089015784.db2.gz ITDYTZCMAJQWPS-UHFFFAOYSA-N 2 1 311.360 3.453 20 0 DGADMP c1cc2n(c1)C[C@@H](CCNc1[nH+]ccc3ccccc31)C[NH2+]C2 ZINC001155454944 1089118564 /nfs/dbraw/zinc/11/85/64/1089118564.db2.gz UPZZAVDLYLZKPD-HNNXBMFYSA-N 2 1 306.413 3.258 20 0 DGADMP COc1cccc(C[N@@H+]2CC[C@H](Nc3ccc(C)c(C)[nH+]3)C2)c1 ZINC001161188182 1089146146 /nfs/dbraw/zinc/14/61/46/1089146146.db2.gz SDIFDRJZFLSLES-KRWDZBQOSA-N 2 1 311.429 3.393 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](Nc3ccc(C)c(C)[nH+]3)C2)c1 ZINC001161188182 1089146159 /nfs/dbraw/zinc/14/61/59/1089146159.db2.gz SDIFDRJZFLSLES-KRWDZBQOSA-N 2 1 311.429 3.393 20 0 DGADMP COCCC1(CNc2ccc(C(C)(C)C)c[nH+]2)CC[NH2+]CC1 ZINC001161505206 1089266835 /nfs/dbraw/zinc/26/68/35/1089266835.db2.gz RHNRJAGMUZOSEU-UHFFFAOYSA-N 2 1 305.466 3.197 20 0 DGADMP Cc1ccc2cc[nH+]c(N3CCC([NH3+])(c4cccnc4)CC3)c2c1 ZINC001161583970 1089296329 /nfs/dbraw/zinc/29/63/29/1089296329.db2.gz PKSVEJKDQUZTEL-UHFFFAOYSA-N 2 1 318.424 3.393 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)C[NH+](C)C)nc1 ZINC001155923037 1089301534 /nfs/dbraw/zinc/30/15/34/1089301534.db2.gz CWAZZFPXPQIHQX-DOTOQJQBSA-N 2 1 304.482 3.381 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C2CC[NH2+]CC2)nc1 ZINC001156180530 1089424376 /nfs/dbraw/zinc/42/43/76/1089424376.db2.gz JKQSEVNSCFVUMC-SFHVURJKSA-N 2 1 316.493 3.207 20 0 DGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475711 1089540799 /nfs/dbraw/zinc/54/07/99/1089540799.db2.gz RCVMTFAXVHLCRT-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162395840 1089712564 /nfs/dbraw/zinc/71/25/64/1089712564.db2.gz WACXQXMYMJMMSS-DJIMGWMZSA-N 2 1 302.466 3.138 20 0 DGADMP Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC001156928673 1089751415 /nfs/dbraw/zinc/75/14/15/1089751415.db2.gz NEVQKGFXZXPIAV-OAHLLOKOSA-N 2 1 317.481 3.062 20 0 DGADMP Cc1nc(N2CCCC2)cc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC001156928673 1089751427 /nfs/dbraw/zinc/75/14/27/1089751427.db2.gz NEVQKGFXZXPIAV-OAHLLOKOSA-N 2 1 317.481 3.062 20 0 DGADMP Cc1nc(N2CCCC2)cc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001156928673 1089751438 /nfs/dbraw/zinc/75/14/38/1089751438.db2.gz NEVQKGFXZXPIAV-OAHLLOKOSA-N 2 1 317.481 3.062 20 0 DGADMP Cc1cc(N2CCCC2)nc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001156928977 1089754275 /nfs/dbraw/zinc/75/42/75/1089754275.db2.gz QVEZQTQPVZTOPE-INIZCTEOSA-N 2 1 317.481 3.062 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098720 1089822741 /nfs/dbraw/zinc/82/27/41/1089822741.db2.gz VLHCQNAENSSWAR-HPFMTEOYSA-N 2 1 323.525 3.045 20 0 DGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113286 1089825597 /nfs/dbraw/zinc/82/55/97/1089825597.db2.gz GJEDYTGWCONZCR-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001162777973 1089950252 /nfs/dbraw/zinc/95/02/52/1089950252.db2.gz GDAPMBLFGGSUKQ-GOEBONIOSA-N 2 1 320.440 3.464 20 0 DGADMP Cc1c[nH+]c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001163270195 1090135404 /nfs/dbraw/zinc/13/54/04/1090135404.db2.gz NEIYIFKECOOWLS-KXBFYZLASA-N 2 1 311.429 3.114 20 0 DGADMP COC(=O)c1c(C)cc(C)nc1N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163361063 1090162442 /nfs/dbraw/zinc/16/24/42/1090162442.db2.gz GPTVCSIVHAYLBF-HIFRSBDPSA-N 2 1 319.449 3.016 20 0 DGADMP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001485482830 1090187834 /nfs/dbraw/zinc/18/78/34/1090187834.db2.gz PTVLSSSQJOYIFH-VUOWKATKSA-N 2 1 323.525 3.044 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc1 ZINC001158186223 1090198667 /nfs/dbraw/zinc/19/86/67/1090198667.db2.gz PQWSZMSRMKWZOE-JZXOWHBKSA-N 2 1 316.493 3.205 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)CC[NH+](C)C)nc1 ZINC001163595147 1090216996 /nfs/dbraw/zinc/21/69/96/1090216996.db2.gz FEOACFDQGSBKGP-KRWDZBQOSA-N 2 1 304.482 3.016 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[NH+](CC)CC2)nc1 ZINC001163772850 1090255025 /nfs/dbraw/zinc/25/50/25/1090255025.db2.gz QJJFLVGAOPORKL-SFHVURJKSA-N 2 1 316.493 3.161 20 0 DGADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[N@H+](CC)CC2)nc1 ZINC001163772850 1090255031 /nfs/dbraw/zinc/25/50/31/1090255031.db2.gz QJJFLVGAOPORKL-SFHVURJKSA-N 2 1 316.493 3.161 20 0 DGADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[N@@H+](CC)CC2)nc1 ZINC001163772850 1090255037 /nfs/dbraw/zinc/25/50/37/1090255037.db2.gz QJJFLVGAOPORKL-SFHVURJKSA-N 2 1 316.493 3.161 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C[NH3+])CC[C@H]2C)nc1 ZINC001164473282 1090428422 /nfs/dbraw/zinc/42/84/22/1090428422.db2.gz DZEANRLQZHONNL-JFIYKMOQSA-N 2 1 316.493 3.192 20 0 DGADMP c1cc2c(cc[nH+]c2N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC001165082091 1090462093 /nfs/dbraw/zinc/46/20/93/1090462093.db2.gz AZYQURHPXRHWAM-LPHOPBHVSA-N 2 1 318.424 3.274 20 0 DGADMP COc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001165238663 1090486279 /nfs/dbraw/zinc/48/62/79/1090486279.db2.gz FMEDBXHRGGOJQO-LJQANCHMSA-N 2 1 311.429 3.132 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001203306296 1090717096 /nfs/dbraw/zinc/71/70/96/1090717096.db2.gz OHHHIPVKEQAIEN-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001203306296 1090717101 /nfs/dbraw/zinc/71/71/01/1090717101.db2.gz OHHHIPVKEQAIEN-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001203306296 1090717107 /nfs/dbraw/zinc/71/71/07/1090717107.db2.gz OHHHIPVKEQAIEN-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001203306296 1090717111 /nfs/dbraw/zinc/71/71/11/1090717111.db2.gz OHHHIPVKEQAIEN-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCCC3)c12 ZINC001203407610 1090730393 /nfs/dbraw/zinc/73/03/93/1090730393.db2.gz BZLFIUDBBLMPBR-QGZVFWFLSA-N 2 1 312.461 3.450 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCCC3)c12 ZINC001203407610 1090730399 /nfs/dbraw/zinc/73/03/99/1090730399.db2.gz BZLFIUDBBLMPBR-QGZVFWFLSA-N 2 1 312.461 3.450 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C(F)(F)F)n3)(C1)CCC2 ZINC001276415670 1090781040 /nfs/dbraw/zinc/78/10/40/1090781040.db2.gz ORIFWUXEWYWUQD-LSDHHAIUSA-N 2 1 313.367 3.255 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1F ZINC001203793113 1090806242 /nfs/dbraw/zinc/80/62/42/1090806242.db2.gz BVMVGFYEZJHWJL-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP CC(=O)Nc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001203928009 1090841749 /nfs/dbraw/zinc/84/17/49/1090841749.db2.gz QSVHXFBEKZNWFE-UHFFFAOYSA-N 2 1 317.477 3.197 20 0 DGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204007597 1090866268 /nfs/dbraw/zinc/86/62/68/1090866268.db2.gz YFZLIEDBWJQNEP-UHFFFAOYSA-N 2 1 324.472 3.286 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204013064 1090869066 /nfs/dbraw/zinc/86/90/66/1090869066.db2.gz FLQOBAZPBOYAOQ-RTBURBONSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204013064 1090869077 /nfs/dbraw/zinc/86/90/77/1090869077.db2.gz FLQOBAZPBOYAOQ-RTBURBONSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204013064 1090869084 /nfs/dbraw/zinc/86/90/84/1090869084.db2.gz FLQOBAZPBOYAOQ-RTBURBONSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001204036565 1090878338 /nfs/dbraw/zinc/87/83/38/1090878338.db2.gz YDOOJYOJPJJYOG-MSOLQXFVSA-N 2 1 313.470 3.097 20 0 DGADMP c1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001204036565 1090878346 /nfs/dbraw/zinc/87/83/46/1090878346.db2.gz YDOOJYOJPJJYOG-MSOLQXFVSA-N 2 1 313.470 3.097 20 0 DGADMP c1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001204036565 1090878355 /nfs/dbraw/zinc/87/83/55/1090878355.db2.gz YDOOJYOJPJJYOG-MSOLQXFVSA-N 2 1 313.470 3.097 20 0 DGADMP c1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001204036565 1090878367 /nfs/dbraw/zinc/87/83/67/1090878367.db2.gz YDOOJYOJPJJYOG-MSOLQXFVSA-N 2 1 313.470 3.097 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccn4)CC[C@H]3C2)cc1 ZINC001204065337 1090888228 /nfs/dbraw/zinc/88/82/28/1090888228.db2.gz GAYHFNCVLMFHFJ-VQTJNVASSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccn4)CC[C@H]3C2)cc1 ZINC001204065337 1090888240 /nfs/dbraw/zinc/88/82/40/1090888240.db2.gz GAYHFNCVLMFHFJ-VQTJNVASSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3C2)cc1 ZINC001204065337 1090888251 /nfs/dbraw/zinc/88/82/51/1090888251.db2.gz GAYHFNCVLMFHFJ-VQTJNVASSA-N 2 1 321.468 3.426 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCCN(CCc3c(F)cccc3F)C2)C1 ZINC001276456399 1090952188 /nfs/dbraw/zinc/95/21/88/1090952188.db2.gz ZHFGAFDBXCUOGN-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1c(C)nn(-c2ccccc2)c1C ZINC001204450457 1090971311 /nfs/dbraw/zinc/97/13/11/1090971311.db2.gz KAOYXGBDYFSQQX-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP CCOc1ccc(C)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204748305 1091027985 /nfs/dbraw/zinc/02/79/85/1091027985.db2.gz ITVLBFSREKNNSD-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)cc2)c1 ZINC001204755677 1091030481 /nfs/dbraw/zinc/03/04/81/1091030481.db2.gz HIYYVLMBCYEZDB-HXUWFJFHSA-N 2 1 310.441 3.212 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2CCc2ccccc2)CCO1 ZINC001204756985 1091031489 /nfs/dbraw/zinc/03/14/89/1091031489.db2.gz VUNGZZXJDNNPEC-NRFANRHFSA-N 2 1 324.468 3.021 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC001204757267 1091032095 /nfs/dbraw/zinc/03/20/95/1091032095.db2.gz XRKNDFRFMOOKPX-IBGZPJMESA-N 2 1 312.413 3.029 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC001204757267 1091032102 /nfs/dbraw/zinc/03/21/02/1091032102.db2.gz XRKNDFRFMOOKPX-IBGZPJMESA-N 2 1 312.413 3.029 20 0 DGADMP c1cc2n(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]2c1ccccc1 ZINC001204878118 1091053317 /nfs/dbraw/zinc/05/33/17/1091053317.db2.gz YAHUXCLAPIMCNX-PXNSSMCTSA-N 2 1 309.457 3.283 20 0 DGADMP Cc1ccc(Oc2cccc(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)c2)cc1 ZINC001204918948 1091063030 /nfs/dbraw/zinc/06/30/30/1091063030.db2.gz QHTJFXQXKWAOHH-OWZKRDHZSA-N 2 1 308.425 3.424 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001204925710 1091064859 /nfs/dbraw/zinc/06/48/59/1091064859.db2.gz ZTSZLLBHJNHMPE-CQSZACIVSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001204925710 1091064865 /nfs/dbraw/zinc/06/48/65/1091064865.db2.gz ZTSZLLBHJNHMPE-CQSZACIVSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001204940482 1091068200 /nfs/dbraw/zinc/06/82/00/1091068200.db2.gz XZAIUKGOVAWCGN-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001204940482 1091068208 /nfs/dbraw/zinc/06/82/08/1091068208.db2.gz XZAIUKGOVAWCGN-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001205001209 1091080353 /nfs/dbraw/zinc/08/03/53/1091080353.db2.gz POAIXFDQAUZKEF-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205009479 1091083367 /nfs/dbraw/zinc/08/33/67/1091083367.db2.gz UFSNTHHRUMJPEB-MRXNPFEDSA-N 2 1 302.462 3.222 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205009479 1091083374 /nfs/dbraw/zinc/08/33/74/1091083374.db2.gz UFSNTHHRUMJPEB-MRXNPFEDSA-N 2 1 302.462 3.222 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001205015742 1091083840 /nfs/dbraw/zinc/08/38/40/1091083840.db2.gz DUHMGEHHAGPXHD-GFCCVEGCSA-N 2 1 319.836 3.025 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001205015742 1091083846 /nfs/dbraw/zinc/08/38/46/1091083846.db2.gz DUHMGEHHAGPXHD-GFCCVEGCSA-N 2 1 319.836 3.025 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205016205 1091084837 /nfs/dbraw/zinc/08/48/37/1091084837.db2.gz GSPRZYCDLBTKRK-CQSZACIVSA-N 2 1 301.409 3.252 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205016205 1091084842 /nfs/dbraw/zinc/08/48/42/1091084842.db2.gz GSPRZYCDLBTKRK-CQSZACIVSA-N 2 1 301.409 3.252 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC001205108257 1091104613 /nfs/dbraw/zinc/10/46/13/1091104613.db2.gz OELDWZXPWUYFOI-UHFFFAOYSA-N 2 1 310.869 3.383 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109147 1091104937 /nfs/dbraw/zinc/10/49/37/1091104937.db2.gz BLUYHXNSOKXJEV-ZDUSSCGKSA-N 2 1 302.340 3.207 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1C(F)(F)F ZINC001205110527 1091105231 /nfs/dbraw/zinc/10/52/31/1091105231.db2.gz VFPIMPBLVVZSKH-LBPRGKRZSA-N 2 1 302.340 3.027 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205145740 1091111452 /nfs/dbraw/zinc/11/14/52/1091111452.db2.gz DMPFOYRQAXGYCQ-GXSJLCMTSA-N 2 1 322.758 3.265 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205145740 1091111455 /nfs/dbraw/zinc/11/14/55/1091111455.db2.gz DMPFOYRQAXGYCQ-GXSJLCMTSA-N 2 1 322.758 3.265 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@](O)(C[NH3+])CC1)c1cccc2ccccc21 ZINC001205208144 1091132648 /nfs/dbraw/zinc/13/26/48/1091132648.db2.gz BCMYLLUJVYJMEZ-OXQOHEQNSA-N 2 1 312.457 3.119 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c2)cc1 ZINC001205249757 1091149031 /nfs/dbraw/zinc/14/90/31/1091149031.db2.gz ZLIAKJMFRWKNPP-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)ccc2O1 ZINC001205273998 1091160767 /nfs/dbraw/zinc/16/07/67/1091160767.db2.gz RHISXBMRURYPAU-LJQANCHMSA-N 2 1 302.462 3.494 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)n21 ZINC001205296105 1091169323 /nfs/dbraw/zinc/16/93/23/1091169323.db2.gz GWGGVIGPYIMYRJ-QGZVFWFLSA-N 2 1 318.490 3.150 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)n21 ZINC001205296105 1091169331 /nfs/dbraw/zinc/16/93/31/1091169331.db2.gz GWGGVIGPYIMYRJ-QGZVFWFLSA-N 2 1 318.490 3.150 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)C[C@@H]1C[NH3+] ZINC001205304801 1091174398 /nfs/dbraw/zinc/17/43/98/1091174398.db2.gz PUVPZMKUEQQEDU-JSGCOSHPSA-N 2 1 319.449 3.366 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304759 1091174959 /nfs/dbraw/zinc/17/49/59/1091174959.db2.gz PLOOYODHRSMRSA-YPMHNXCESA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304759 1091174966 /nfs/dbraw/zinc/17/49/66/1091174966.db2.gz PLOOYODHRSMRSA-YPMHNXCESA-N 2 1 316.367 3.131 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205316781 1091182599 /nfs/dbraw/zinc/18/25/99/1091182599.db2.gz LHRVJHIJYZWJOA-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205316781 1091182604 /nfs/dbraw/zinc/18/26/04/1091182604.db2.gz LHRVJHIJYZWJOA-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205306714 1091176928 /nfs/dbraw/zinc/17/69/28/1091176928.db2.gz ZNANPNRKRNRRBP-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC001205305153 1091176354 /nfs/dbraw/zinc/17/63/54/1091176354.db2.gz RGVFZQJCULVFRT-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC001205305153 1091176359 /nfs/dbraw/zinc/17/63/59/1091176359.db2.gz RGVFZQJCULVFRT-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205306714 1091176937 /nfs/dbraw/zinc/17/69/37/1091176937.db2.gz ZNANPNRKRNRRBP-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)C[C@H]1C[NH3+] ZINC001205306401 1091176772 /nfs/dbraw/zinc/17/67/72/1091176772.db2.gz WGAGAOCAOCBWHA-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C[C@H]1C[NH3+] ZINC001205306401 1091176775 /nfs/dbraw/zinc/17/67/75/1091176775.db2.gz WGAGAOCAOCBWHA-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C[C@H]1C[NH3+] ZINC001205315802 1091179700 /nfs/dbraw/zinc/17/97/00/1091179700.db2.gz HESKZJDCLNIDQE-IUODEOHRSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC001205315866 1091180765 /nfs/dbraw/zinc/18/07/65/1091180765.db2.gz HWAWXDPTIHCYOB-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC001205315866 1091180772 /nfs/dbraw/zinc/18/07/72/1091180772.db2.gz HWAWXDPTIHCYOB-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC001205315398 1091181033 /nfs/dbraw/zinc/18/10/33/1091181033.db2.gz FXXLECPTHFWYNU-GXTWGEPZSA-N 2 1 304.459 3.327 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC001205316896 1091182131 /nfs/dbraw/zinc/18/21/31/1091182131.db2.gz MAROMHXLMLMQOD-NWDGAFQWSA-N 2 1 319.836 3.011 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C[C@@H]1C[NH3+] ZINC001205317165 1091182230 /nfs/dbraw/zinc/18/22/30/1091182230.db2.gz MWOLZGALONAZHO-YOEHRIQHSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)C[C@H]1C[NH3+] ZINC001205316835 1091182751 /nfs/dbraw/zinc/18/27/51/1091182751.db2.gz LLFJMOINEHVKEL-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)C[C@H]1C[NH3+] ZINC001205316835 1091182757 /nfs/dbraw/zinc/18/27/57/1091182757.db2.gz LLFJMOINEHVKEL-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)cc1 ZINC001138551958 1091225817 /nfs/dbraw/zinc/22/58/17/1091225817.db2.gz QMFYTFXGKSWMCB-INIZCTEOSA-N 2 1 312.461 3.095 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)cc1 ZINC001138551958 1091225831 /nfs/dbraw/zinc/22/58/31/1091225831.db2.gz QMFYTFXGKSWMCB-INIZCTEOSA-N 2 1 312.461 3.095 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001205559466 1091252780 /nfs/dbraw/zinc/25/27/80/1091252780.db2.gz RGCORYMNYNMVEA-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001205559466 1091252784 /nfs/dbraw/zinc/25/27/84/1091252784.db2.gz RGCORYMNYNMVEA-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205558900 1091253019 /nfs/dbraw/zinc/25/30/19/1091253019.db2.gz LHOBROHHQGVLQA-SFHVURJKSA-N 2 1 316.424 3.038 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC001205558822 1091253053 /nfs/dbraw/zinc/25/30/53/1091253053.db2.gz JEJKUBTZSSTRMD-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC001205558822 1091253059 /nfs/dbraw/zinc/25/30/59/1091253059.db2.gz JEJKUBTZSSTRMD-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2N2CCCCC2)CC1 ZINC001205559598 1091253310 /nfs/dbraw/zinc/25/33/10/1091253310.db2.gz SNYGTGPIJIGVKQ-IBGZPJMESA-N 2 1 319.468 3.330 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001205559423 1091254208 /nfs/dbraw/zinc/25/42/08/1091254208.db2.gz QJGOLWKEFOZYDM-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001205559423 1091254213 /nfs/dbraw/zinc/25/42/13/1091254213.db2.gz QJGOLWKEFOZYDM-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205558359 1091253786 /nfs/dbraw/zinc/25/37/86/1091253786.db2.gz DPIUFDXRZQIWHS-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001205559030 1091253958 /nfs/dbraw/zinc/25/39/58/1091253958.db2.gz NDKCAXCKMOBWFI-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3N3CCCC3)C2)CC1 ZINC001138612099 1091254805 /nfs/dbraw/zinc/25/48/05/1091254805.db2.gz AMULUFLXKAZHDW-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138615675 1091257054 /nfs/dbraw/zinc/25/70/54/1091257054.db2.gz QKIALOVZINRBTA-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138615675 1091257061 /nfs/dbraw/zinc/25/70/61/1091257061.db2.gz QKIALOVZINRBTA-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138615675 1091257069 /nfs/dbraw/zinc/25/70/69/1091257069.db2.gz QKIALOVZINRBTA-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138615675 1091257078 /nfs/dbraw/zinc/25/70/78/1091257078.db2.gz QKIALOVZINRBTA-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205570035 1091258338 /nfs/dbraw/zinc/25/83/38/1091258338.db2.gz DAYGIAWBWUIDGH-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001205571803 1091259183 /nfs/dbraw/zinc/25/91/83/1091259183.db2.gz YBRUUAZQVNVQKB-QGZVFWFLSA-N 2 1 305.372 3.027 20 0 DGADMP CCCn1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001138638373 1091270348 /nfs/dbraw/zinc/27/03/48/1091270348.db2.gz PWRPFPOKMNBYNK-LJQANCHMSA-N 2 1 318.509 3.442 20 0 DGADMP CCCn1ncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001138638373 1091270356 /nfs/dbraw/zinc/27/03/56/1091270356.db2.gz PWRPFPOKMNBYNK-LJQANCHMSA-N 2 1 318.509 3.442 20 0 DGADMP C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCOCC2)CC[C@H]1C[NH3+] ZINC001205602534 1091273241 /nfs/dbraw/zinc/27/32/41/1091273241.db2.gz JHAATJKTMZJVRS-MSOLQXFVSA-N 2 1 316.489 3.042 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC[C@H]1C[NH3+] ZINC001205617460 1091282579 /nfs/dbraw/zinc/28/25/79/1091282579.db2.gz KCGDIPQBCLKKQZ-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)CC[C@H]1C[NH3+] ZINC001205617912 1091283286 /nfs/dbraw/zinc/28/32/86/1091283286.db2.gz PDDAJRNVUVYSJR-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)cc2c1 ZINC001205618097 1091283729 /nfs/dbraw/zinc/28/37/29/1091283729.db2.gz RISLRSKVRKPPQU-ZIAGYGMSSA-N 2 1 302.418 3.248 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205627547 1091286113 /nfs/dbraw/zinc/28/61/13/1091286113.db2.gz QLGDBCDUFGSPED-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205625984 1091286898 /nfs/dbraw/zinc/28/68/98/1091286898.db2.gz DIGNMGIRLXDAAU-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276395289 1091287075 /nfs/dbraw/zinc/28/70/75/1091287075.db2.gz YZKIZPGSRWQHRK-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276395289 1091287093 /nfs/dbraw/zinc/28/70/93/1091287093.db2.gz YZKIZPGSRWQHRK-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276395289 1091287102 /nfs/dbraw/zinc/28/71/02/1091287102.db2.gz YZKIZPGSRWQHRK-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276395289 1091287111 /nfs/dbraw/zinc/28/71/11/1091287111.db2.gz YZKIZPGSRWQHRK-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205638769 1091292121 /nfs/dbraw/zinc/29/21/21/1091292121.db2.gz RVGDJAMXQJRGOM-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CC[C@@H]1C[NH3+] ZINC001205651142 1091296328 /nfs/dbraw/zinc/29/63/28/1091296328.db2.gz AOFGJQARLSPOJX-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1SC ZINC001205653902 1091297448 /nfs/dbraw/zinc/29/74/48/1091297448.db2.gz VTMFNYZOHLQSEE-DZGCQCFKSA-N 2 1 308.491 3.224 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CC[C@H]1C[NH3+] ZINC001205651763 1091297762 /nfs/dbraw/zinc/29/77/62/1091297762.db2.gz JQQJBURGFLCVNI-OCCSQVGLSA-N 2 1 318.852 3.090 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC[C@H]1C[NH3+] ZINC001205652234 1091298789 /nfs/dbraw/zinc/29/87/89/1091298789.db2.gz OQKNAOBJHQVTJK-WBVHZDCISA-N 2 1 319.468 3.233 20 0 DGADMP Cc1cccc(Cl)c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001138720145 1091299758 /nfs/dbraw/zinc/29/97/58/1091299758.db2.gz JOTPXZKYLFRHJI-UHFFFAOYSA-N 2 1 321.852 3.278 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205662874 1091305011 /nfs/dbraw/zinc/30/50/11/1091305011.db2.gz FAMSTRSDFAMUDL-XLIONFOSSA-N 2 1 318.505 3.164 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001205682773 1091310216 /nfs/dbraw/zinc/31/02/16/1091310216.db2.gz UTEVKIQQCVTFMU-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP CCc1cccc2c(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c[nH]c21 ZINC001205769247 1091339054 /nfs/dbraw/zinc/33/90/54/1091339054.db2.gz IHHTXRGUEBXDOH-CQSZACIVSA-N 2 1 307.388 3.146 20 0 DGADMP CCc1cccc2c(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c[nH]c21 ZINC001205769247 1091339065 /nfs/dbraw/zinc/33/90/65/1091339065.db2.gz IHHTXRGUEBXDOH-CQSZACIVSA-N 2 1 307.388 3.146 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001138817694 1091341876 /nfs/dbraw/zinc/34/18/76/1091341876.db2.gz YCJJTTFWRHYBOF-UHFFFAOYSA-N 2 1 316.836 3.177 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2-c2ccncc2)CCC1(F)F ZINC001205788675 1091347381 /nfs/dbraw/zinc/34/73/81/1091347381.db2.gz PRGVTVQYKFLWFG-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccncc2)CCC1(F)F ZINC001205788675 1091347390 /nfs/dbraw/zinc/34/73/90/1091347390.db2.gz PRGVTVQYKFLWFG-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001205802260 1091356592 /nfs/dbraw/zinc/35/65/92/1091356592.db2.gz AYNXBUFXONFEDQ-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3nc(C)c[nH]3)CC2)CC1 ZINC001138938203 1091384610 /nfs/dbraw/zinc/38/46/10/1091384610.db2.gz BBZGHFIZRKHGCS-UHFFFAOYSA-N 2 1 304.482 3.052 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970645 1091399946 /nfs/dbraw/zinc/39/99/46/1091399946.db2.gz UPLNZRGENFULOH-OALUTQOASA-N 2 1 316.489 3.495 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(OCC)c1 ZINC001205904171 1091401546 /nfs/dbraw/zinc/40/15/46/1091401546.db2.gz SMIDLNHDSCNTGL-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(OCC)c1 ZINC001205904171 1091401550 /nfs/dbraw/zinc/40/15/50/1091401550.db2.gz SMIDLNHDSCNTGL-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(C(F)(F)F)c1 ZINC001205912833 1091406663 /nfs/dbraw/zinc/40/66/63/1091406663.db2.gz CXTBMIBZCFRMPU-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(C(F)(F)F)c1 ZINC001205912833 1091406666 /nfs/dbraw/zinc/40/66/66/1091406666.db2.gz CXTBMIBZCFRMPU-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001205913460 1091406794 /nfs/dbraw/zinc/40/67/94/1091406794.db2.gz IJKOIPBUQWSLMW-RDJZCZTQSA-N 2 1 311.429 3.433 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)C)c3)C[C@H]2C1 ZINC001138986858 1091409145 /nfs/dbraw/zinc/40/91/45/1091409145.db2.gz DJUBKWQHPMSRFE-QZTJIDSGSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915840 1091409143 /nfs/dbraw/zinc/40/91/43/1091409143.db2.gz QVQQENHJNIQPCI-HIFRSBDPSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915840 1091409152 /nfs/dbraw/zinc/40/91/52/1091409152.db2.gz QVQQENHJNIQPCI-HIFRSBDPSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205914820 1091409324 /nfs/dbraw/zinc/40/93/24/1091409324.db2.gz OAUUZWHHXJHPIU-DNVCBOLYSA-N 2 1 311.473 3.465 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205915869 1091409808 /nfs/dbraw/zinc/40/98/08/1091409808.db2.gz RELLHMVNTFHINQ-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205915869 1091409813 /nfs/dbraw/zinc/40/98/13/1091409813.db2.gz RELLHMVNTFHINQ-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001205917191 1091411982 /nfs/dbraw/zinc/41/19/82/1091411982.db2.gz XHNZSDUUKKITAB-WMLDXEAASA-N 2 1 313.420 3.447 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)cc1Cl ZINC001205993042 1091439467 /nfs/dbraw/zinc/43/94/67/1091439467.db2.gz GUYUDBRBHURCGM-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(c(Cl)c1)OCO2 ZINC001139074450 1091439888 /nfs/dbraw/zinc/43/98/88/1091439888.db2.gz KKEAPBMFCGMFAG-UHFFFAOYSA-N 2 1 312.841 3.232 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(c(Cl)c1)OCO2 ZINC001139074450 1091439893 /nfs/dbraw/zinc/43/98/93/1091439893.db2.gz KKEAPBMFCGMFAG-UHFFFAOYSA-N 2 1 312.841 3.232 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCC[C@H]1C[NH3+] ZINC001206003349 1091443833 /nfs/dbraw/zinc/44/38/33/1091443833.db2.gz HACLOCXWIPONSY-ZFWWWQNUSA-N 2 1 316.424 3.023 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013170 1091449734 /nfs/dbraw/zinc/44/97/34/1091449734.db2.gz PVLVYHUUEFUUMT-MAUKXSAKSA-N 2 1 324.472 3.259 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1F ZINC001206014493 1091451825 /nfs/dbraw/zinc/45/18/25/1091451825.db2.gz WYTFDHVWRKMLTH-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206014050 1091452150 /nfs/dbraw/zinc/45/21/50/1091452150.db2.gz VRNCPXZGHCYCFC-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1F ZINC001206014496 1091452390 /nfs/dbraw/zinc/45/23/90/1091452390.db2.gz WYTFDHVWRKMLTH-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(N3CCCC3)c2)CCC[C@H]1C[NH3+] ZINC001206022454 1091455109 /nfs/dbraw/zinc/45/51/09/1091455109.db2.gz CEWKMABGMRWBOJ-AEFFLSMTSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccncc3)n2)CCC[C@H]1C[NH3+] ZINC001206036504 1091463692 /nfs/dbraw/zinc/46/36/92/1091463692.db2.gz KIRQUOVXRHVXSZ-ZFWWWQNUSA-N 2 1 316.474 3.012 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206036528 1091463750 /nfs/dbraw/zinc/46/37/50/1091463750.db2.gz KRBPDGNTRMJPJK-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1F ZINC001206037496 1091464215 /nfs/dbraw/zinc/46/42/15/1091464215.db2.gz VTRKFHRIISLILD-GDBMZVCRSA-N 2 1 308.441 3.420 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(Oc4ccccc4)nc3)C[C@@H]2C1 ZINC001139243060 1091497570 /nfs/dbraw/zinc/49/75/70/1091497570.db2.gz RBOPJMQGFHRDIQ-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)nc3)C[C@@H]2C1 ZINC001139243060 1091497585 /nfs/dbraw/zinc/49/75/85/1091497585.db2.gz RBOPJMQGFHRDIQ-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)nc3)C[C@@H]2C1 ZINC001139243060 1091497607 /nfs/dbraw/zinc/49/76/07/1091497607.db2.gz RBOPJMQGFHRDIQ-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Oc4ccccc4)nc3)C[C@@H]2C1 ZINC001139243060 1091497612 /nfs/dbraw/zinc/49/76/12/1091497612.db2.gz RBOPJMQGFHRDIQ-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)nc3)C[C@@H]2C1 ZINC001139243060 1091497616 /nfs/dbraw/zinc/49/76/16/1091497616.db2.gz RBOPJMQGFHRDIQ-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156664 1091512735 /nfs/dbraw/zinc/51/27/35/1091512735.db2.gz RTAJQTDUJMCGMJ-ARFHVFGLSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156664 1091512743 /nfs/dbraw/zinc/51/27/43/1091512743.db2.gz RTAJQTDUJMCGMJ-ARFHVFGLSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156664 1091512753 /nfs/dbraw/zinc/51/27/53/1091512753.db2.gz RTAJQTDUJMCGMJ-ARFHVFGLSA-N 2 1 302.478 3.369 20 0 DGADMP C[NH+]1CCN(c2ncc(C[NH+]3CCCCCCCC3)s2)CC1 ZINC001139325743 1091521194 /nfs/dbraw/zinc/52/11/94/1091521194.db2.gz YKWSYNKHDWGZHV-UHFFFAOYSA-N 2 1 322.522 3.051 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)nc1 ZINC001139346577 1091526473 /nfs/dbraw/zinc/52/64/73/1091526473.db2.gz NDWHNUUAKKLIDF-UHFFFAOYSA-N 2 1 318.509 3.236 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c2c1 ZINC001206304241 1091568665 /nfs/dbraw/zinc/56/86/65/1091568665.db2.gz ICUYTQLFTZKJFK-SFHVURJKSA-N 2 1 301.434 3.127 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c1F ZINC001206311080 1091573511 /nfs/dbraw/zinc/57/35/11/1091573511.db2.gz IBTRZURMKHVOTI-KRWDZBQOSA-N 2 1 312.404 3.314 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC001206311944 1091573817 /nfs/dbraw/zinc/57/38/17/1091573817.db2.gz XGSWEMWBKDFJKC-LBPRGKRZSA-N 2 1 307.385 3.113 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC001206311944 1091573822 /nfs/dbraw/zinc/57/38/22/1091573822.db2.gz XGSWEMWBKDFJKC-LBPRGKRZSA-N 2 1 307.385 3.113 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139498537 1091575606 /nfs/dbraw/zinc/57/56/06/1091575606.db2.gz OHWGQKRUYRFHCM-WBVHZDCISA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139498537 1091575613 /nfs/dbraw/zinc/57/56/13/1091575613.db2.gz OHWGQKRUYRFHCM-WBVHZDCISA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139498537 1091575619 /nfs/dbraw/zinc/57/56/19/1091575619.db2.gz OHWGQKRUYRFHCM-WBVHZDCISA-N 2 1 313.470 3.194 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001206318257 1091577679 /nfs/dbraw/zinc/57/76/79/1091577679.db2.gz ONMFUOFXZWGBMR-HNNXBMFYSA-N 2 1 316.367 3.362 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001206324476 1091579128 /nfs/dbraw/zinc/57/91/28/1091579128.db2.gz CIFWWFIWCIMQNY-IBGZPJMESA-N 2 1 301.478 3.238 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206337947 1091585703 /nfs/dbraw/zinc/58/57/03/1091585703.db2.gz XDAIRTCOTFEGOW-HNNXBMFYSA-N 2 1 315.383 3.360 20 0 DGADMP C[C@]1(F)CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001206405153 1091618235 /nfs/dbraw/zinc/61/82/35/1091618235.db2.gz OTTHJOCOIPOWTR-SFHVURJKSA-N 2 1 301.409 3.069 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(C(C)C)c3)C[C@H]2C1 ZINC001139619084 1091623348 /nfs/dbraw/zinc/62/33/48/1091623348.db2.gz VXPPAAQAGCJEAF-IAGOWNOFSA-N 2 1 302.462 3.202 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)cc1CC ZINC001139626690 1091626727 /nfs/dbraw/zinc/62/67/27/1091626727.db2.gz WYEGVZNFIQNJQQ-QZTJIDSGSA-N 2 1 302.462 3.031 20 0 DGADMP CC(C)Oc1cc(F)c(C[NH+]2CCC(CC[NH3+])CC2)c(F)c1 ZINC001206506600 1091653065 /nfs/dbraw/zinc/65/30/65/1091653065.db2.gz HCDZSNYWQBSCHX-UHFFFAOYSA-N 2 1 312.404 3.313 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001139742349 1091660942 /nfs/dbraw/zinc/66/09/42/1091660942.db2.gz XLCHLHOBTXQTMO-SFHVURJKSA-N 2 1 324.472 3.470 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001139742349 1091660943 /nfs/dbraw/zinc/66/09/43/1091660943.db2.gz XLCHLHOBTXQTMO-SFHVURJKSA-N 2 1 324.472 3.470 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2cccnc2c1 ZINC001139742769 1091661560 /nfs/dbraw/zinc/66/15/60/1091661560.db2.gz JQHNTTLZJBVNPV-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2cccnc2c1 ZINC001139742769 1091661568 /nfs/dbraw/zinc/66/15/68/1091661568.db2.gz JQHNTTLZJBVNPV-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnc2cccnc2c1 ZINC001139742769 1091661572 /nfs/dbraw/zinc/66/15/72/1091661572.db2.gz JQHNTTLZJBVNPV-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnc2cccnc2c1 ZINC001139742769 1091661578 /nfs/dbraw/zinc/66/15/78/1091661578.db2.gz JQHNTTLZJBVNPV-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP CC1(C)CCC(c2ccc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206542024 1091662115 /nfs/dbraw/zinc/66/21/15/1091662115.db2.gz PHWYOHRQIQFEOQ-OALUTQOASA-N 2 1 316.489 3.122 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3cncnc3)c2)C1 ZINC001206547708 1091663382 /nfs/dbraw/zinc/66/33/82/1091663382.db2.gz FLHINCXOWZRMKL-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206547714 1091663948 /nfs/dbraw/zinc/66/39/48/1091663948.db2.gz FLNHKRDSEFEKRX-LJQANCHMSA-N 2 1 312.461 3.336 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c2c1 ZINC001206547048 1091664310 /nfs/dbraw/zinc/66/43/10/1091664310.db2.gz AYYUUHXSAQEFFH-GOSISDBHSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)C1 ZINC001206554506 1091667070 /nfs/dbraw/zinc/66/70/70/1091667070.db2.gz DGFFEZLTHPNIBP-LJQANCHMSA-N 2 1 316.493 3.023 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556783 1091669195 /nfs/dbraw/zinc/66/91/95/1091669195.db2.gz XGKMRWXDIOLNPW-HNNXBMFYSA-N 2 1 315.383 3.360 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)C1 ZINC001206556031 1091669280 /nfs/dbraw/zinc/66/92/80/1091669280.db2.gz MNWHGBXQPLDEMU-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP COc1cccc2c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)ccnc12 ZINC001206574139 1091674419 /nfs/dbraw/zinc/67/44/19/1091674419.db2.gz PNEUTGCVZFKKNJ-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001206574203 1091675084 /nfs/dbraw/zinc/67/50/84/1091675084.db2.gz QLKUMPJUVRRWON-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP COc1ccc(CCC[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206583000 1091678480 /nfs/dbraw/zinc/67/84/80/1091678480.db2.gz RMOJCJJIXDCPKN-GOSISDBHSA-N 2 1 304.478 3.480 20 0 DGADMP CCOC(=O)c1ccccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599713 1091684109 /nfs/dbraw/zinc/68/41/09/1091684109.db2.gz VZCCFFDGVYGNKB-QGZVFWFLSA-N 2 1 318.461 3.216 20 0 DGADMP CCOC(=O)c1ccccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599713 1091684112 /nfs/dbraw/zinc/68/41/12/1091684112.db2.gz VZCCFFDGVYGNKB-QGZVFWFLSA-N 2 1 318.461 3.216 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001206606187 1091686988 /nfs/dbraw/zinc/68/69/88/1091686988.db2.gz GTTSOKGMBMXPOY-CYBMUJFWSA-N 2 1 300.368 3.309 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001206607274 1091687165 /nfs/dbraw/zinc/68/71/65/1091687165.db2.gz ZFFDRCDFUOWQMS-CQSZACIVSA-N 2 1 300.368 3.309 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Oc3ccccc3)nc2)C1 ZINC001206622779 1091693511 /nfs/dbraw/zinc/69/35/11/1091693511.db2.gz GSCLIUTUFOOERX-MRXNPFEDSA-N 2 1 311.429 3.435 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C1 ZINC001206622779 1091693513 /nfs/dbraw/zinc/69/35/13/1091693513.db2.gz GSCLIUTUFOOERX-MRXNPFEDSA-N 2 1 311.429 3.435 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+]1CCCCC1 ZINC001206701359 1091706514 /nfs/dbraw/zinc/70/65/14/1091706514.db2.gz WRSKRJDYFXHCLE-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[NH+]1CCCCC1 ZINC001206710189 1091708540 /nfs/dbraw/zinc/70/85/40/1091708540.db2.gz WWZJJHCWRUUVIM-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3cnn(C)c3c2)CC1 ZINC001139909954 1091710735 /nfs/dbraw/zinc/71/07/35/1091710735.db2.gz FIFVFLQWDXVVOI-UHFFFAOYSA-N 2 1 314.477 3.270 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccccc1C(F)(F)F ZINC001206761053 1091728385 /nfs/dbraw/zinc/72/83/85/1091728385.db2.gz SBYHXDUBGQJJRE-QWHCGFSZSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769043 1091731461 /nfs/dbraw/zinc/73/14/61/1091731461.db2.gz MYIQTUACULBWKD-MNOVXSKESA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769043 1091731465 /nfs/dbraw/zinc/73/14/65/1091731465.db2.gz MYIQTUACULBWKD-MNOVXSKESA-N 2 1 304.331 3.404 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206772232 1091733816 /nfs/dbraw/zinc/73/38/16/1091733816.db2.gz ZKDXPYZHTSLMIO-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206772232 1091733821 /nfs/dbraw/zinc/73/38/21/1091733821.db2.gz ZKDXPYZHTSLMIO-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP CC[NH+](CC)[C@@H]1CCN(Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140027104 1091744885 /nfs/dbraw/zinc/74/48/85/1091744885.db2.gz YMACXUICAKUVBZ-GOSISDBHSA-N 2 1 312.461 3.097 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206809933 1091749809 /nfs/dbraw/zinc/74/98/09/1091749809.db2.gz MLXHTYUGLINMKK-AAEUAGOBSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206809933 1091749816 /nfs/dbraw/zinc/74/98/16/1091749816.db2.gz MLXHTYUGLINMKK-AAEUAGOBSA-N 2 1 311.267 3.317 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC001140266727 1091810166 /nfs/dbraw/zinc/81/01/66/1091810166.db2.gz KKQLJRCZJRHHQB-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC001140266727 1091810170 /nfs/dbraw/zinc/81/01/70/1091810170.db2.gz KKQLJRCZJRHHQB-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](CC)CCn3ccnc3)c2c1 ZINC001140274494 1091812883 /nfs/dbraw/zinc/81/28/83/1091812883.db2.gz OMXLOZNCZATJNU-UHFFFAOYSA-N 2 1 312.417 3.285 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C)CC(C)(C)C ZINC001276503678 1091825443 /nfs/dbraw/zinc/82/54/43/1091825443.db2.gz HGXSMJARTGOFHS-SQNIBIBYSA-N 2 1 309.542 3.159 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cncnc2)cc1 ZINC001140355987 1091839112 /nfs/dbraw/zinc/83/91/12/1091839112.db2.gz PDEOFTADRAOLAE-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cncnc2)cc1 ZINC001140355987 1091839119 /nfs/dbraw/zinc/83/91/19/1091839119.db2.gz PDEOFTADRAOLAE-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP CCCc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)s1 ZINC001207076398 1091839380 /nfs/dbraw/zinc/83/93/80/1091839380.db2.gz QHAASNDMFNYMKA-UHFFFAOYSA-N 2 1 324.534 3.491 20 0 DGADMP C[C@@H](C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1)OCc1ccccc1 ZINC001276512252 1091867233 /nfs/dbraw/zinc/86/72/33/1091867233.db2.gz RLVQCPQJSAYGKG-SFHVURJKSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](C[NH+]1CCC2(CC[N@@H+](C)C2)CC1)OCc1ccccc1 ZINC001276512479 1091869544 /nfs/dbraw/zinc/86/95/44/1091869544.db2.gz SSFNFLUIVNMWEM-KRWDZBQOSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC001207237732 1091898497 /nfs/dbraw/zinc/89/84/97/1091898497.db2.gz PCICMJFAGQXETL-GOSISDBHSA-N 2 1 312.413 3.060 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC001207237732 1091898500 /nfs/dbraw/zinc/89/85/00/1091898500.db2.gz PCICMJFAGQXETL-GOSISDBHSA-N 2 1 312.413 3.060 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1OC ZINC001207285329 1091911463 /nfs/dbraw/zinc/91/14/63/1091911463.db2.gz GICACWZFRWABME-INIZCTEOSA-N 2 1 320.477 3.429 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1OC ZINC001207285329 1091911467 /nfs/dbraw/zinc/91/14/67/1091911467.db2.gz GICACWZFRWABME-INIZCTEOSA-N 2 1 320.477 3.429 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC001207295630 1091915317 /nfs/dbraw/zinc/91/53/17/1091915317.db2.gz WYHAZGXFJVRIRA-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)CCc1ccc(Br)cc1 ZINC001207385256 1091949584 /nfs/dbraw/zinc/94/95/84/1091949584.db2.gz VAQFXFPHHUXPJF-UHFFFAOYSA-N 2 1 313.283 3.265 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC001207398243 1091953727 /nfs/dbraw/zinc/95/37/27/1091953727.db2.gz BQEODUKWYKGHTE-LJQANCHMSA-N 2 1 302.462 3.180 20 0 DGADMP C[C@H]1Cc2cccc(Br)c2C[N@H+]1CC1CC[NH2+]CC1 ZINC001207443070 1091970474 /nfs/dbraw/zinc/97/04/74/1091970474.db2.gz MCVWJPHWJSLJIT-LBPRGKRZSA-N 2 1 323.278 3.195 20 0 DGADMP C[NH+]1CCC(CC[N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001207485553 1091984709 /nfs/dbraw/zinc/98/47/09/1091984709.db2.gz WIHDFFIWPMYRMP-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2ccccc2F)CC1 ZINC001207498647 1091992275 /nfs/dbraw/zinc/99/22/75/1091992275.db2.gz MOGPCANLDPDZBL-UHFFFAOYSA-N 2 1 313.420 3.311 20 0 DGADMP COc1ccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1OC ZINC001140803288 1092009949 /nfs/dbraw/zinc/00/99/49/1092009949.db2.gz NBSWIVFPWDJKMI-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1OC ZINC001140803288 1092009960 /nfs/dbraw/zinc/00/99/60/1092009960.db2.gz NBSWIVFPWDJKMI-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1C ZINC001140860623 1092035271 /nfs/dbraw/zinc/03/52/71/1092035271.db2.gz RFELZUPEHVFIBA-HOTGVXAUSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001140863026 1092037260 /nfs/dbraw/zinc/03/72/60/1092037260.db2.gz VDZZESANMQLWSN-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP Cc1c[nH]c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001140863026 1092037268 /nfs/dbraw/zinc/03/72/68/1092037268.db2.gz VDZZESANMQLWSN-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001140863026 1092037274 /nfs/dbraw/zinc/03/72/74/1092037274.db2.gz VDZZESANMQLWSN-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001140863026 1092037281 /nfs/dbraw/zinc/03/72/81/1092037281.db2.gz VDZZESANMQLWSN-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1c(N)cccc1F ZINC001140877239 1092041932 /nfs/dbraw/zinc/04/19/32/1092041932.db2.gz FUOSWHOUVPSGKQ-LSDHHAIUSA-N 2 1 305.441 3.247 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c(N)cccc1F ZINC001140877239 1092041941 /nfs/dbraw/zinc/04/19/41/1092041941.db2.gz FUOSWHOUVPSGKQ-LSDHHAIUSA-N 2 1 305.441 3.247 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c(N)cccc1F ZINC001140877239 1092041951 /nfs/dbraw/zinc/04/19/51/1092041951.db2.gz FUOSWHOUVPSGKQ-LSDHHAIUSA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c(N)cccc1F ZINC001140877239 1092041959 /nfs/dbraw/zinc/04/19/59/1092041959.db2.gz FUOSWHOUVPSGKQ-LSDHHAIUSA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c(N)cccc1F ZINC001140877239 1092041967 /nfs/dbraw/zinc/04/19/67/1092041967.db2.gz FUOSWHOUVPSGKQ-LSDHHAIUSA-N 2 1 305.441 3.247 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)CC1 ZINC001207654729 1092059524 /nfs/dbraw/zinc/05/95/24/1092059524.db2.gz MYRJRMIPRPCUCX-INIZCTEOSA-N 2 1 307.507 3.048 20 0 DGADMP c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140934946 1092069407 /nfs/dbraw/zinc/06/94/07/1092069407.db2.gz GPDVBSHBDWWVKZ-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140934946 1092069413 /nfs/dbraw/zinc/06/94/13/1092069413.db2.gz GPDVBSHBDWWVKZ-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140934946 1092069419 /nfs/dbraw/zinc/06/94/19/1092069419.db2.gz GPDVBSHBDWWVKZ-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140970311 1092088026 /nfs/dbraw/zinc/08/80/26/1092088026.db2.gz GSCVBFNOXZLSLJ-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCCCCOc3ccccc3)[C@H]2C1 ZINC001207838420 1092113999 /nfs/dbraw/zinc/11/39/99/1092113999.db2.gz YBNZYLYHDWNXAB-WDSOQIARSA-N 2 1 302.462 3.166 20 0 DGADMP CC/C=C\CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001208136987 1092210372 /nfs/dbraw/zinc/21/03/72/1092210372.db2.gz DGUQBGXQUVGCIT-VGOKWCNXSA-N 2 1 322.493 3.082 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)CCCC1 ZINC001208185211 1092248548 /nfs/dbraw/zinc/24/85/48/1092248548.db2.gz XCVQJQCJOROQKP-CQSZACIVSA-N 2 1 310.379 3.332 20 0 DGADMP Fc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208197181 1092257590 /nfs/dbraw/zinc/25/75/90/1092257590.db2.gz IFLGIWJJNRFFRQ-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Fc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208197181 1092257601 /nfs/dbraw/zinc/25/76/01/1092257601.db2.gz IFLGIWJJNRFFRQ-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Fc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208197181 1092257614 /nfs/dbraw/zinc/25/76/14/1092257614.db2.gz IFLGIWJJNRFFRQ-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Fc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208197181 1092257626 /nfs/dbraw/zinc/25/76/26/1092257626.db2.gz IFLGIWJJNRFFRQ-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208209011 1092269287 /nfs/dbraw/zinc/26/92/87/1092269287.db2.gz IYGJGWNKKJUEBI-KSZLIROESA-N 2 1 310.526 3.491 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208209011 1092269295 /nfs/dbraw/zinc/26/92/95/1092269295.db2.gz IYGJGWNKKJUEBI-KSZLIROESA-N 2 1 310.526 3.491 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208209011 1092269304 /nfs/dbraw/zinc/26/93/04/1092269304.db2.gz IYGJGWNKKJUEBI-KSZLIROESA-N 2 1 310.526 3.491 20 0 DGADMP CN1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590629 1092285937 /nfs/dbraw/zinc/28/59/37/1092285937.db2.gz HQJHPMGXNGRCEL-SJKOYZFVSA-N 2 1 303.837 3.347 20 0 DGADMP C[N@@H+]1CCC[C@@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590629 1092285952 /nfs/dbraw/zinc/28/59/52/1092285952.db2.gz HQJHPMGXNGRCEL-SJKOYZFVSA-N 2 1 303.837 3.347 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]2C1 ZINC001141593149 1092288181 /nfs/dbraw/zinc/28/81/81/1092288181.db2.gz JRTQSXMNEQNOFR-OKILXGFUSA-N 2 1 303.837 3.205 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]2C1 ZINC001141593149 1092288197 /nfs/dbraw/zinc/28/81/97/1092288197.db2.gz JRTQSXMNEQNOFR-OKILXGFUSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001142115142 1092414977 /nfs/dbraw/zinc/41/49/77/1092414977.db2.gz YQPIDTXZQGHMQF-UHFFFAOYSA-N 2 1 317.260 3.473 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001208601681 1092422012 /nfs/dbraw/zinc/42/20/12/1092422012.db2.gz QVOZOBBNHJZOSY-UHFFFAOYSA-N 2 1 312.461 3.036 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001208604411 1092422160 /nfs/dbraw/zinc/42/21/60/1092422160.db2.gz OMAWUKCXWSWFBZ-UHFFFAOYSA-N 2 1 307.526 3.057 20 0 DGADMP Cc1ccc(OC2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208609028 1092425792 /nfs/dbraw/zinc/42/57/92/1092425792.db2.gz SWQGKYOUAZLSEA-KRWDZBQOSA-N 2 1 302.462 3.180 20 0 DGADMP COc1ccc(C2=CC[N@@H+](C[C@H]3CCC[NH+](C)C3)CC2)cc1 ZINC001208619155 1092432528 /nfs/dbraw/zinc/43/25/28/1092432528.db2.gz WCEPVQRIZWKUSI-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP COc1ccc(C2=CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208619155 1092432537 /nfs/dbraw/zinc/43/25/37/1092432537.db2.gz WCEPVQRIZWKUSI-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP COc1ccc(C2=CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208619155 1092432544 /nfs/dbraw/zinc/43/25/44/1092432544.db2.gz WCEPVQRIZWKUSI-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC001208683444 1092453828 /nfs/dbraw/zinc/45/38/28/1092453828.db2.gz HMCCPKMOWXAIRK-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC001208683444 1092453831 /nfs/dbraw/zinc/45/38/31/1092453831.db2.gz HMCCPKMOWXAIRK-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001208683444 1092453836 /nfs/dbraw/zinc/45/38/36/1092453836.db2.gz HMCCPKMOWXAIRK-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001208683444 1092453839 /nfs/dbraw/zinc/45/38/39/1092453839.db2.gz HMCCPKMOWXAIRK-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CCCC(C)C)CC2)CC1 ZINC001208733809 1092479012 /nfs/dbraw/zinc/47/90/12/1092479012.db2.gz HXTRPZDJLMIFSQ-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP CSc1ccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169101233 1092531690 /nfs/dbraw/zinc/53/16/90/1092531690.db2.gz PPHSZSFZCPVVAH-QDMKHBRRSA-N 2 1 306.475 3.002 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])c1cccc3ccccc31)C2 ZINC001169078406 1092532509 /nfs/dbraw/zinc/53/25/09/1092532509.db2.gz FAIURZDUEYOSPS-BCDXTJNWSA-N 2 1 309.457 3.230 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Br)cc1)C2 ZINC001169092348 1092540338 /nfs/dbraw/zinc/54/03/38/1092540338.db2.gz BJIDNZBXWPHAKF-MUJYYYPQSA-N 2 1 323.278 3.206 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(CC3CCC3)CCOCC1)C2 ZINC001169118602 1092541901 /nfs/dbraw/zinc/54/19/01/1092541901.db2.gz LQKIVPDAEZYFKD-NNZMDNLPSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cncc(Cl)c1)C1CC1)C2 ZINC001169117337 1092543134 /nfs/dbraw/zinc/54/31/34/1092543134.db2.gz YSFAMZUJNGDIOZ-YVSFHVDLSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001169107159 1092550519 /nfs/dbraw/zinc/55/05/19/1092550519.db2.gz FJHYMYQFLOSNBR-XLAORIBOSA-N 2 1 304.865 3.412 20 0 DGADMP CCCNc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169138713 1092551634 /nfs/dbraw/zinc/55/16/34/1092551634.db2.gz UBUKVRUKVFXCJO-DYVFJYSZSA-N 2 1 305.470 3.254 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109560 1092552789 /nfs/dbraw/zinc/55/27/89/1092552789.db2.gz DIGPZMJZQDYEMH-NNZMDNLPSA-N 2 1 314.473 3.233 20 0 DGADMP COc1ccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001169109375 1092554712 /nfs/dbraw/zinc/55/47/12/1092554712.db2.gz BMKZZRXSNYTYBN-BJWYYQGGSA-N 2 1 300.446 3.289 20 0 DGADMP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169115287 1092556278 /nfs/dbraw/zinc/55/62/78/1092556278.db2.gz IDTSAJHUGIGUCR-QKDCVEJESA-N 2 1 316.436 3.043 20 0 DGADMP COCCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169115326 1092557247 /nfs/dbraw/zinc/55/72/47/1092557247.db2.gz IPIRZFXAFRUBSD-QDMKHBRRSA-N 2 1 316.436 3.186 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142879 1092558642 /nfs/dbraw/zinc/55/86/42/1092558642.db2.gz XCPXBWOPIVLVSA-FXUDXRNXSA-N 2 1 322.399 3.043 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142879 1092558649 /nfs/dbraw/zinc/55/86/49/1092558649.db2.gz XCPXBWOPIVLVSA-FXUDXRNXSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142879 1092558656 /nfs/dbraw/zinc/55/86/56/1092558656.db2.gz XCPXBWOPIVLVSA-FXUDXRNXSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142879 1092558664 /nfs/dbraw/zinc/55/86/64/1092558664.db2.gz XCPXBWOPIVLVSA-FXUDXRNXSA-N 2 1 322.399 3.043 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001169142613 1092559904 /nfs/dbraw/zinc/55/99/04/1092559904.db2.gz DLOHZIUIUZMIMQ-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001169142613 1092559917 /nfs/dbraw/zinc/55/99/17/1092559917.db2.gz DLOHZIUIUZMIMQ-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001169142613 1092559927 /nfs/dbraw/zinc/55/99/27/1092559927.db2.gz DLOHZIUIUZMIMQ-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169148843 1092562684 /nfs/dbraw/zinc/56/26/84/1092562684.db2.gz ZZOZHHJOXLTDNP-VUHPKUFZSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169148843 1092562694 /nfs/dbraw/zinc/56/26/94/1092562694.db2.gz ZZOZHHJOXLTDNP-VUHPKUFZSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169148843 1092562703 /nfs/dbraw/zinc/56/27/03/1092562703.db2.gz ZZOZHHJOXLTDNP-VUHPKUFZSA-N 2 1 300.446 3.457 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142849456 1092565973 /nfs/dbraw/zinc/56/59/73/1092565973.db2.gz SIOCKTUPHPZCFO-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142849456 1092565980 /nfs/dbraw/zinc/56/59/80/1092565980.db2.gz SIOCKTUPHPZCFO-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888647 1092567238 /nfs/dbraw/zinc/56/72/38/1092567238.db2.gz SRZJCBRYQXFUMT-HUUCEWRRSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888647 1092567252 /nfs/dbraw/zinc/56/72/52/1092567252.db2.gz SRZJCBRYQXFUMT-HUUCEWRRSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888647 1092567262 /nfs/dbraw/zinc/56/72/62/1092567262.db2.gz SRZJCBRYQXFUMT-HUUCEWRRSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H](C)C(F)(F)F)C2)C1 ZINC001208888647 1092567270 /nfs/dbraw/zinc/56/72/70/1092567270.db2.gz SRZJCBRYQXFUMT-HUUCEWRRSA-N 2 1 322.415 3.008 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(n3cnc4ccccc43)CC1)C2 ZINC001169162529 1092571872 /nfs/dbraw/zinc/57/18/72/1092571872.db2.gz UOTPFOZOXYHUEJ-BCDXTJNWSA-N 2 1 324.472 3.298 20 0 DGADMP c1ccc(N2CCC(CN3CCC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC001208914795 1092582498 /nfs/dbraw/zinc/58/24/98/1092582498.db2.gz RMLYJYIBDRJIDM-HXUWFJFHSA-N 2 1 313.489 3.073 20 0 DGADMP CC[NH+](CC)CCN(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208928452 1092589019 /nfs/dbraw/zinc/58/90/19/1092589019.db2.gz IDPZGOLCZRWFIQ-HXUWFJFHSA-N 2 1 317.521 3.172 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(CCO4)CC3)C2)cc1 ZINC001208939842 1092600340 /nfs/dbraw/zinc/60/03/40/1092600340.db2.gz KAKITKCAGFWVOQ-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938139 1092600717 /nfs/dbraw/zinc/60/07/17/1092600717.db2.gz WYUPJRBNPALFMF-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938139 1092600722 /nfs/dbraw/zinc/60/07/22/1092600722.db2.gz WYUPJRBNPALFMF-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938139 1092600726 /nfs/dbraw/zinc/60/07/26/1092600726.db2.gz WYUPJRBNPALFMF-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940634 1092603543 /nfs/dbraw/zinc/60/35/43/1092603543.db2.gz TZPGJEQHYQTTDJ-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940634 1092603549 /nfs/dbraw/zinc/60/35/49/1092603549.db2.gz TZPGJEQHYQTTDJ-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940634 1092603553 /nfs/dbraw/zinc/60/35/53/1092603553.db2.gz TZPGJEQHYQTTDJ-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947832 1092605599 /nfs/dbraw/zinc/60/55/99/1092605599.db2.gz DIPUTHSRGZLJHG-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947832 1092605603 /nfs/dbraw/zinc/60/56/03/1092605603.db2.gz DIPUTHSRGZLJHG-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947832 1092605608 /nfs/dbraw/zinc/60/56/08/1092605608.db2.gz DIPUTHSRGZLJHG-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948450 1092605631 /nfs/dbraw/zinc/60/56/31/1092605631.db2.gz QIZPADWVVSFKDD-WBVHZDCISA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948450 1092605633 /nfs/dbraw/zinc/60/56/33/1092605633.db2.gz QIZPADWVVSFKDD-WBVHZDCISA-N 2 1 308.416 3.486 20 0 DGADMP CC[NH+]1CCC(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001169263614 1092607527 /nfs/dbraw/zinc/60/75/27/1092607527.db2.gz BZEPKYXZLDKUGT-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC1(C)C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001208958819 1092610865 /nfs/dbraw/zinc/61/08/65/1092610865.db2.gz RAQSRLPHZPFHNU-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001208958819 1092610872 /nfs/dbraw/zinc/61/08/72/1092610872.db2.gz RAQSRLPHZPFHNU-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@@H+](CCCCCO)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208957880 1092611687 /nfs/dbraw/zinc/61/16/87/1092611687.db2.gz MNESOUCRVBMIAF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[N@H+](CCCCCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208957880 1092611690 /nfs/dbraw/zinc/61/16/90/1092611690.db2.gz MNESOUCRVBMIAF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[N@@H+](CCCCCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208957880 1092611694 /nfs/dbraw/zinc/61/16/94/1092611694.db2.gz MNESOUCRVBMIAF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[NH+](CCCCCO)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208957880 1092611697 /nfs/dbraw/zinc/61/16/97/1092611697.db2.gz MNESOUCRVBMIAF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[NH+](CCCCCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208957880 1092611700 /nfs/dbraw/zinc/61/17/00/1092611700.db2.gz MNESOUCRVBMIAF-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP COc1cc(C[N@@H+](C)C2CCN(C)CC2)ccc1C(F)(F)F ZINC001143342646 1092658272 /nfs/dbraw/zinc/65/82/72/1092658272.db2.gz RHMFCRBJDYGFEP-UHFFFAOYSA-N 2 1 316.367 3.240 20 0 DGADMP COc1cc(CN(C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001143342646 1092658276 /nfs/dbraw/zinc/65/82/76/1092658276.db2.gz RHMFCRBJDYGFEP-UHFFFAOYSA-N 2 1 316.367 3.240 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001209124558 1092662311 /nfs/dbraw/zinc/66/23/11/1092662311.db2.gz BNODBWUUGSWWCM-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001209124558 1092662317 /nfs/dbraw/zinc/66/23/17/1092662317.db2.gz BNODBWUUGSWWCM-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001209124558 1092662321 /nfs/dbraw/zinc/66/23/21/1092662321.db2.gz BNODBWUUGSWWCM-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+](C)C1CC[NH+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001209123747 1092662766 /nfs/dbraw/zinc/66/27/66/1092662766.db2.gz GVBUTEXIBLTJCE-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP FC(F)(F)c1cccc(CC[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001209125150 1092663611 /nfs/dbraw/zinc/66/36/11/1092663611.db2.gz XJBLHYUIFXLCFZ-UHFFFAOYSA-N 2 1 312.379 3.418 20 0 DGADMP c1cc(CCC[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)ccn1 ZINC001209184810 1092683589 /nfs/dbraw/zinc/68/35/89/1092683589.db2.gz MMYYRFOQHDDZEO-UHFFFAOYSA-N 2 1 313.489 3.355 20 0 DGADMP COCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209220324 1092698134 /nfs/dbraw/zinc/69/81/34/1092698134.db2.gz XYJBDOVNCKOXIE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209220324 1092698138 /nfs/dbraw/zinc/69/81/38/1092698138.db2.gz XYJBDOVNCKOXIE-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209219926 1092699063 /nfs/dbraw/zinc/69/90/63/1092699063.db2.gz RMHUBJNTXRXEES-UHFFFAOYSA-N 2 1 308.441 3.149 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3cccs3)C2)C1 ZINC001209223301 1092702854 /nfs/dbraw/zinc/70/28/54/1092702854.db2.gz YYQZNCWGYCJWEP-GOSISDBHSA-N 2 1 322.518 3.113 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3cccs3)C2)C1 ZINC001209223301 1092702863 /nfs/dbraw/zinc/70/28/63/1092702863.db2.gz YYQZNCWGYCJWEP-GOSISDBHSA-N 2 1 322.518 3.113 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3cccs3)C2)C1 ZINC001209223301 1092702873 /nfs/dbraw/zinc/70/28/73/1092702873.db2.gz YYQZNCWGYCJWEP-GOSISDBHSA-N 2 1 322.518 3.113 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3cccs3)C2)C1 ZINC001209223301 1092702877 /nfs/dbraw/zinc/70/28/77/1092702877.db2.gz YYQZNCWGYCJWEP-GOSISDBHSA-N 2 1 322.518 3.113 20 0 DGADMP CCN1CCO[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209229823 1092705911 /nfs/dbraw/zinc/70/59/11/1092705911.db2.gz NFLACYQHSBNFAE-VQTJNVASSA-N 2 1 316.489 3.052 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209229823 1092705925 /nfs/dbraw/zinc/70/59/25/1092705925.db2.gz NFLACYQHSBNFAE-VQTJNVASSA-N 2 1 316.489 3.052 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209229823 1092705931 /nfs/dbraw/zinc/70/59/31/1092705931.db2.gz NFLACYQHSBNFAE-VQTJNVASSA-N 2 1 316.489 3.052 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001209248345 1092713030 /nfs/dbraw/zinc/71/30/30/1092713030.db2.gz VFECQFQBOBJYLO-UHFFFAOYSA-N 2 1 317.383 3.033 20 0 DGADMP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001209452089 1092778020 /nfs/dbraw/zinc/77/80/20/1092778020.db2.gz BXSJRSLWEIGCAK-IBGZPJMESA-N 2 1 315.505 3.069 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCC34CC5CC(CC(C5)C3)C4)C[C@@H]2C1 ZINC001209448511 1092778575 /nfs/dbraw/zinc/77/85/75/1092778575.db2.gz WCDABZGDBPAKGX-PFCIJOMHSA-N 2 1 302.506 3.476 20 0 DGADMP c1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566647 1092826917 /nfs/dbraw/zinc/82/69/17/1092826917.db2.gz PMAFCTVFJNSTAV-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566647 1092826923 /nfs/dbraw/zinc/82/69/23/1092826923.db2.gz PMAFCTVFJNSTAV-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566647 1092826928 /nfs/dbraw/zinc/82/69/28/1092826928.db2.gz PMAFCTVFJNSTAV-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566647 1092826935 /nfs/dbraw/zinc/82/69/35/1092826935.db2.gz PMAFCTVFJNSTAV-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566647 1092826941 /nfs/dbraw/zinc/82/69/41/1092826941.db2.gz PMAFCTVFJNSTAV-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276657733 1092848516 /nfs/dbraw/zinc/84/85/16/1092848516.db2.gz BMBSMQFQQUPLRI-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP CN(C)CC(C)(C)C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001276657733 1092848517 /nfs/dbraw/zinc/84/85/17/1092848517.db2.gz BMBSMQFQQUPLRI-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP CN(C)CC(C)(C)C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276657733 1092848518 /nfs/dbraw/zinc/84/85/18/1092848518.db2.gz BMBSMQFQQUPLRI-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc2c1 ZINC001209772592 1092914313 /nfs/dbraw/zinc/91/43/13/1092914313.db2.gz WLUNYLZNEFSJJJ-UHFFFAOYSA-N 2 1 314.429 3.359 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCCN(Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673949 1092936811 /nfs/dbraw/zinc/93/68/11/1092936811.db2.gz NJAQHRXOGHDLJV-GOSISDBHSA-N 2 1 304.482 3.015 20 0 DGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209953842 1092993558 /nfs/dbraw/zinc/99/35/58/1092993558.db2.gz VMUAXSUYLUTYMB-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH2+]1 ZINC001210476933 1093181114 /nfs/dbraw/zinc/18/11/14/1093181114.db2.gz YZMGLNPQVSJSIH-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH2+]1 ZINC001210476933 1093181118 /nfs/dbraw/zinc/18/11/18/1093181118.db2.gz YZMGLNPQVSJSIH-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP c1ccc(C[N@H+](CC[C@H]2C[NH2+]CCO2)C2CCCCC2)cc1 ZINC001210581977 1093218109 /nfs/dbraw/zinc/21/81/09/1093218109.db2.gz VCTRYMWPEAFQFL-IBGZPJMESA-N 2 1 302.462 3.200 20 0 DGADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001276709179 1093728821 /nfs/dbraw/zinc/72/88/21/1093728821.db2.gz FYBHMFDFBLQCRP-SXLOBPIMSA-N 2 1 321.553 3.209 20 0 DGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276713565 1093820922 /nfs/dbraw/zinc/82/09/22/1093820922.db2.gz JILXDHSZAWFJHM-HXUWFJFHSA-N 3 1 319.537 3.107 20 0 DGADMP C(C1CC[NH2+]CC1)[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276713565 1093820930 /nfs/dbraw/zinc/82/09/30/1093820930.db2.gz JILXDHSZAWFJHM-HXUWFJFHSA-N 3 1 319.537 3.107 20 0 DGADMP C(C1CC[NH2+]CC1)[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276713565 1093820938 /nfs/dbraw/zinc/82/09/38/1093820938.db2.gz JILXDHSZAWFJHM-HXUWFJFHSA-N 3 1 319.537 3.107 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)C[C@H]2CC1 ZINC001276746357 1094252367 /nfs/dbraw/zinc/25/23/67/1094252367.db2.gz DMOQWEQLIOVSIW-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@H]2CC1 ZINC001276746357 1094252372 /nfs/dbraw/zinc/25/23/72/1094252372.db2.gz DMOQWEQLIOVSIW-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)C[C@H]2CC1 ZINC001276746357 1094252378 /nfs/dbraw/zinc/25/23/78/1094252378.db2.gz DMOQWEQLIOVSIW-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@H]2CC[N@@H+]4CCC[C@H]4C2)[nH+]1)CCCC3 ZINC001120015475 1094348962 /nfs/dbraw/zinc/34/89/62/1094348962.db2.gz XTKCHPZOEOLLRI-KBPBESRZSA-N 2 1 310.445 3.480 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@H]2CC[N@H+]4CCC[C@H]4C2)[nH+]1)CCCC3 ZINC001120015475 1094348970 /nfs/dbraw/zinc/34/89/70/1094348970.db2.gz XTKCHPZOEOLLRI-KBPBESRZSA-N 2 1 310.445 3.480 20 0 DGADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(-c2cccc(Oc3ccccc3)c2)o1 ZINC001217695378 1094473840 /nfs/dbraw/zinc/47/38/40/1094473840.db2.gz ISGJFZYLIOOKNZ-MRXNPFEDSA-N 2 1 324.384 3.268 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217698717 1094475413 /nfs/dbraw/zinc/47/54/13/1094475413.db2.gz GFZMAXOEZBQTIV-RDBSUJKOSA-N 2 1 320.824 3.123 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001217712751 1094479915 /nfs/dbraw/zinc/47/99/15/1094479915.db2.gz FCDXVLUGIYRJLO-OAGGEKHMSA-N 2 1 314.433 3.072 20 0 DGADMP Cc1cc(Cl)ccc1-c1nnc([C@@H]([NH3+])CC2CC[NH2+]CC2)o1 ZINC001217725927 1094484727 /nfs/dbraw/zinc/48/47/27/1094484727.db2.gz WFYDKAKCNCYYIF-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(CC2CCCCC2)o1 ZINC001217753097 1094488455 /nfs/dbraw/zinc/48/84/55/1094488455.db2.gz VEYXULRYBDFXSO-HNNXBMFYSA-N 2 1 308.470 3.361 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](OCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217761835 1094491298 /nfs/dbraw/zinc/49/12/98/1094491298.db2.gz AZGDOVRNZCTQFH-IEBWSBKVSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCCCC[NH3+] ZINC001217769021 1094492421 /nfs/dbraw/zinc/49/24/21/1094492421.db2.gz JOEJJTXFIHWHBT-PKOBYXMFSA-N 2 1 304.478 3.433 20 0 DGADMP F[C@@H]1CCC[NH2+]C[C@H]1OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217775665 1094494429 /nfs/dbraw/zinc/49/44/29/1094494429.db2.gz WIRFTDYWMDSCQJ-IPMKNSEASA-N 2 1 320.452 3.005 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217848447 1094505076 /nfs/dbraw/zinc/50/50/76/1094505076.db2.gz JECSTGKFKSBIFD-MOPGFXCFSA-N 2 1 316.489 3.303 20 0 DGADMP [NH3+]CCCCCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001217930963 1094519619 /nfs/dbraw/zinc/51/96/19/1094519619.db2.gz RDNYQSPFZSRDMT-XUVXKRRUSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1cccc(C[NH3+])c1 ZINC001217938695 1094521517 /nfs/dbraw/zinc/52/15/17/1094521517.db2.gz FUCUNYFMHLQAKA-JXFKEZNVSA-N 2 1 310.441 3.182 20 0 DGADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480939 1094548659 /nfs/dbraw/zinc/54/86/59/1094548659.db2.gz MOIGQMZEQKZZKO-HOTGVXAUSA-N 2 1 313.530 3.027 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1Oc2ccccc2[C@H]1C ZINC001336737312 1094716566 /nfs/dbraw/zinc/71/65/66/1094716566.db2.gz XXFLQQLAFFSMNT-XOAHRMTBSA-N 2 1 300.446 3.154 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135860717 1094722262 /nfs/dbraw/zinc/72/22/62/1094722262.db2.gz GUPKRAKSAKAKLG-SJORKVTESA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218334477 1094724213 /nfs/dbraw/zinc/72/42/13/1094724213.db2.gz AQQPTZGBAFJGSA-OXQOHEQNSA-N 2 1 310.441 3.435 20 0 DGADMP CC[C@]1(c2cccc(O[C@@H]3C=CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218335804 1094725929 /nfs/dbraw/zinc/72/59/29/1094725929.db2.gz YAJSBOWGJCNZNA-UXHICEINSA-N 2 1 314.473 3.357 20 0 DGADMP [NH3+]Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001218410608 1094759986 /nfs/dbraw/zinc/75/99/86/1094759986.db2.gz GRWFHNNOGYGNRS-KRWDZBQOSA-N 2 1 316.832 3.452 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218410980 1094760550 /nfs/dbraw/zinc/76/05/50/1094760550.db2.gz SJGMDGCHOIGUNF-CRAIPNDOSA-N 2 1 311.429 3.145 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CC1 ZINC001218439958 1094774647 /nfs/dbraw/zinc/77/46/47/1094774647.db2.gz BBOZSRSFRYONCT-JTDSTZFVSA-N 2 1 300.446 3.177 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC001336889265 1094775154 /nfs/dbraw/zinc/77/51/54/1094775154.db2.gz QKQFWKIJWGQDPZ-RYQLBKOJSA-N 2 1 309.457 3.397 20 0 DGADMP [NH3+]Cc1ccccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001218440467 1094776116 /nfs/dbraw/zinc/77/61/16/1094776116.db2.gz DYGRASTVUHMIDC-SVFBPWRDSA-N 2 1 322.452 3.435 20 0 DGADMP [NH3+]Cc1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001218442697 1094776753 /nfs/dbraw/zinc/77/67/53/1094776753.db2.gz UUAFSOKWDHUZFO-CEWLAPEOSA-N 2 1 322.452 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218484941 1094805992 /nfs/dbraw/zinc/80/59/92/1094805992.db2.gz OHAZDYUGKMFNAF-KQLYMOGASA-N 2 1 322.452 3.401 20 0 DGADMP Oc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309827536 1094828845 /nfs/dbraw/zinc/82/88/45/1094828845.db2.gz RFVMYZUEPWUTQZ-LJQANCHMSA-N 2 1 310.441 3.394 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cccc(F)c3C1)C2 ZINC001170956036 1095014330 /nfs/dbraw/zinc/01/43/30/1095014330.db2.gz SFWHXBZBKOWOPO-WCXIOVBPSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cccc(F)c3C1)C2 ZINC001170956036 1095014342 /nfs/dbraw/zinc/01/43/42/1095014342.db2.gz SFWHXBZBKOWOPO-WCXIOVBPSA-N 2 1 302.437 3.288 20 0 DGADMP Cc1ccc(Br)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000313750103 1095018418 /nfs/dbraw/zinc/01/84/18/1095018418.db2.gz JDAZNDZYYNAURP-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(Br)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000313750103 1095018434 /nfs/dbraw/zinc/01/84/34/1095018434.db2.gz JDAZNDZYYNAURP-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000313750103 1095018449 /nfs/dbraw/zinc/01/84/49/1095018449.db2.gz JDAZNDZYYNAURP-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000313750103 1095018464 /nfs/dbraw/zinc/01/84/64/1095018464.db2.gz JDAZNDZYYNAURP-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246109005 1095038772 /nfs/dbraw/zinc/03/87/72/1095038772.db2.gz IDKICVYOUIJZKP-ZYHUDNBSSA-N 2 1 302.796 3.281 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)[C@H](C)C1 ZINC001170977276 1095066469 /nfs/dbraw/zinc/06/64/69/1095066469.db2.gz NSBHLRVXASSYSS-ALKREAHSSA-N 2 1 304.453 3.391 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188367 1095088837 /nfs/dbraw/zinc/08/88/37/1095088837.db2.gz WJEFGPNRFLUXBU-ZYHUDNBSSA-N 2 1 302.796 3.281 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316697464 1095187026 /nfs/dbraw/zinc/18/70/26/1095187026.db2.gz AUFWPVMDQDIURF-QYZOEREBSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316697464 1095187029 /nfs/dbraw/zinc/18/70/29/1095187029.db2.gz AUFWPVMDQDIURF-QYZOEREBSA-N 2 1 302.462 3.227 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171059397 1095226252 /nfs/dbraw/zinc/22/62/52/1095226252.db2.gz OTONDLJZLDFDLQ-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171059397 1095226260 /nfs/dbraw/zinc/22/62/60/1095226260.db2.gz OTONDLJZLDFDLQ-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171059397 1095226264 /nfs/dbraw/zinc/22/62/64/1095226264.db2.gz OTONDLJZLDFDLQ-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)cc[nH+]1 ZINC001136988756 1095272237 /nfs/dbraw/zinc/27/22/37/1095272237.db2.gz RLQUBZFBNQQFBN-UHFFFAOYSA-N 2 1 324.403 3.333 20 0 DGADMP CC[C@@]1([NH2+][C@H](C)Cc2cccc(Br)c2)CC[NH2+]C1 ZINC001246458485 1095288876 /nfs/dbraw/zinc/28/88/76/1095288876.db2.gz GLWDFDNSSBFTBD-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP CC[C@@]1([NH2+][C@@H](C)Cc2cccc(Br)c2)CC[NH2+]C1 ZINC001246458486 1095289998 /nfs/dbraw/zinc/28/99/98/1095289998.db2.gz GLWDFDNSSBFTBD-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP c1nc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc2[nH]1 ZINC001137045361 1095303933 /nfs/dbraw/zinc/30/39/33/1095303933.db2.gz DPHFHQHFGUOQKN-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2[nH]1 ZINC001137045361 1095303948 /nfs/dbraw/zinc/30/39/48/1095303948.db2.gz DPHFHQHFGUOQKN-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2[nH]1 ZINC001137045361 1095303960 /nfs/dbraw/zinc/30/39/60/1095303960.db2.gz DPHFHQHFGUOQKN-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)[nH]n1 ZINC001338756185 1095381548 /nfs/dbraw/zinc/38/15/48/1095381548.db2.gz OCEMOWUQGNGFJV-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP CCn1ccc2ccc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc21 ZINC001276826461 1095402070 /nfs/dbraw/zinc/40/20/70/1095402070.db2.gz QSPXRKLEWXSFAS-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP CCn1ccc2ccc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)cc21 ZINC001276826461 1095402076 /nfs/dbraw/zinc/40/20/76/1095402076.db2.gz QSPXRKLEWXSFAS-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP CCn1ccc2ccc(C[NH+]3C[C@@H]4CC[N@H+](C)CC[C@@H]4C3)cc21 ZINC001276826461 1095402084 /nfs/dbraw/zinc/40/20/84/1095402084.db2.gz QSPXRKLEWXSFAS-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP C[N@@H+](Cc1c(Cl)ccc(F)c1F)CC1CC[NH+](C)CC1 ZINC001143957908 1095448790 /nfs/dbraw/zinc/44/87/90/1095448790.db2.gz QNNRMTWXUMFSRP-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[N@H+](Cc1c(Cl)ccc(F)c1F)CC1CC[NH+](C)CC1 ZINC001143957908 1095448797 /nfs/dbraw/zinc/44/87/97/1095448797.db2.gz QNNRMTWXUMFSRP-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP Clc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222142243 1095453670 /nfs/dbraw/zinc/45/36/70/1095453670.db2.gz YTUYMIDOXPHODC-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222142243 1095453678 /nfs/dbraw/zinc/45/36/78/1095453678.db2.gz YTUYMIDOXPHODC-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c12 ZINC001222140951 1095453693 /nfs/dbraw/zinc/45/36/93/1095453693.db2.gz ALHRGFWOPYOZTH-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c12 ZINC001222140951 1095453698 /nfs/dbraw/zinc/45/36/98/1095453698.db2.gz ALHRGFWOPYOZTH-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1F ZINC001143984602 1095454553 /nfs/dbraw/zinc/45/45/53/1095454553.db2.gz XXEYQWMTNCYGJU-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n(Cc2ccccc2)c1 ZINC001222147933 1095457788 /nfs/dbraw/zinc/45/77/88/1095457788.db2.gz FOYAMZYTKVPGKR-FQEVSTJZSA-N 2 1 309.457 3.112 20 0 DGADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n(Cc2ccccc2)c1 ZINC001222147933 1095457791 /nfs/dbraw/zinc/45/77/91/1095457791.db2.gz FOYAMZYTKVPGKR-FQEVSTJZSA-N 2 1 309.457 3.112 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC001222154980 1095463124 /nfs/dbraw/zinc/46/31/24/1095463124.db2.gz VBWCXXUVYDEVTN-SFHVURJKSA-N 2 1 313.470 3.386 20 0 DGADMP c1csc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC001222154980 1095463126 /nfs/dbraw/zinc/46/31/26/1095463126.db2.gz VBWCXXUVYDEVTN-SFHVURJKSA-N 2 1 313.470 3.386 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1OCC2 ZINC001222160013 1095466633 /nfs/dbraw/zinc/46/66/33/1095466633.db2.gz BVWPRQZZQIADOJ-FQEVSTJZSA-N 2 1 314.473 3.367 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160881 1095467245 /nfs/dbraw/zinc/46/72/45/1095467245.db2.gz JTDMQRKFEQYPEW-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1OCC2 ZINC001222160014 1095467633 /nfs/dbraw/zinc/46/76/33/1095467633.db2.gz BVWPRQZZQIADOJ-HXUWFJFHSA-N 2 1 314.473 3.367 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162116 1095468709 /nfs/dbraw/zinc/46/87/09/1095468709.db2.gz YQQQUDAYFHPMMJ-FQEVSTJZSA-N 2 1 315.505 3.498 20 0 DGADMP Cc1c(O)cccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167264 1095474457 /nfs/dbraw/zinc/47/44/57/1095474457.db2.gz JIZJCHBISKWFDZ-IBGZPJMESA-N 2 1 302.462 3.446 20 0 DGADMP CCc1ncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222173327 1095478400 /nfs/dbraw/zinc/47/84/00/1095478400.db2.gz TVGITMXYRGGOEM-KRWDZBQOSA-N 2 1 307.507 3.451 20 0 DGADMP CCc1ncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222173327 1095478407 /nfs/dbraw/zinc/47/84/07/1095478407.db2.gz TVGITMXYRGGOEM-KRWDZBQOSA-N 2 1 307.507 3.451 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c1)OCC2 ZINC001222173817 1095478672 /nfs/dbraw/zinc/47/86/72/1095478672.db2.gz YBNIQVQCUYVPIA-FQEVSTJZSA-N 2 1 314.473 3.367 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC001116293149 1095506859 /nfs/dbraw/zinc/50/68/59/1095506859.db2.gz KNBNUCJHOWYCDM-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC001116294722 1095508416 /nfs/dbraw/zinc/50/84/16/1095508416.db2.gz QDPZKXIDFKXGAG-CJNGLKHVSA-N 2 1 302.418 3.261 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC001116294722 1095508426 /nfs/dbraw/zinc/50/84/26/1095508426.db2.gz QDPZKXIDFKXGAG-CJNGLKHVSA-N 2 1 302.418 3.261 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265815 1095521281 /nfs/dbraw/zinc/52/12/81/1095521281.db2.gz ZTXFGRWWEGZZTO-FQEVSTJZSA-N 2 1 324.472 3.146 20 0 DGADMP Fc1cccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222265565 1095521494 /nfs/dbraw/zinc/52/14/94/1095521494.db2.gz WLEJFQKNKMPTSJ-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1cccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222265565 1095521502 /nfs/dbraw/zinc/52/15/02/1095521502.db2.gz WLEJFQKNKMPTSJ-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222271751 1095522832 /nfs/dbraw/zinc/52/28/32/1095522832.db2.gz JCTWJVYYDUYYCN-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1C ZINC001222308033 1095541512 /nfs/dbraw/zinc/54/15/12/1095541512.db2.gz FSZZFYBNLZNJIP-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC001339227398 1095551019 /nfs/dbraw/zinc/55/10/19/1095551019.db2.gz YTNJWBMNCHCEMT-MWLCHTKSSA-N 2 1 317.296 3.236 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222389593 1095586885 /nfs/dbraw/zinc/58/68/85/1095586885.db2.gz CJNZGDWQXOOGFJ-FQEVSTJZSA-N 2 1 324.472 3.289 20 0 DGADMP Cc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c2ccccc12 ZINC001222400722 1095595907 /nfs/dbraw/zinc/59/59/07/1095595907.db2.gz FPIMMGGZZRDCPJ-UHFFFAOYSA-N 2 1 324.468 3.350 20 0 DGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407067 1095600240 /nfs/dbraw/zinc/60/02/40/1095600240.db2.gz ATBXQIKNRBMTPR-UHFFFAOYSA-N 2 1 322.880 3.159 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246558000 1095614005 /nfs/dbraw/zinc/61/40/05/1095614005.db2.gz NKLZTVPBTUHKCG-WCQYABFASA-N 2 1 302.796 3.187 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465421 1095627042 /nfs/dbraw/zinc/62/70/42/1095627042.db2.gz OTOYIDBRHFGBIS-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465421 1095627048 /nfs/dbraw/zinc/62/70/48/1095627048.db2.gz OTOYIDBRHFGBIS-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC1CC[NH+](C)CC1 ZINC001222498479 1095641548 /nfs/dbraw/zinc/64/15/48/1095641548.db2.gz MHZAOZRFMNEOIN-QFBILLFUSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC1CC[NH+](C)CC1 ZINC001222498477 1095641567 /nfs/dbraw/zinc/64/15/67/1095641567.db2.gz MHZAOZRFMNEOIN-APWZRJJASA-N 2 1 302.462 3.008 20 0 DGADMP Fc1ccc(CCC[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596348 1095682384 /nfs/dbraw/zinc/68/23/84/1095682384.db2.gz UXMKNCLVVWDVNP-HXUWFJFHSA-N 2 1 324.443 3.447 20 0 DGADMP c1ccc([C@H]2C[N@H+](CC3(c4ccccc4)CC3)CC23C[NH2+]C3)cc1 ZINC001222596133 1095683650 /nfs/dbraw/zinc/68/36/50/1095683650.db2.gz QIQSIDWDPGJOSW-HXUWFJFHSA-N 2 1 318.464 3.407 20 0 DGADMP Fc1ccc(CC[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596024 1095683764 /nfs/dbraw/zinc/68/37/64/1095683764.db2.gz OOJBFWJKCZWKAX-IBGZPJMESA-N 2 1 310.416 3.057 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001116880584 1095689655 /nfs/dbraw/zinc/68/96/55/1095689655.db2.gz LZXXTKJAMSBEDY-MSOLQXFVSA-N 2 1 302.462 3.017 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620206 1095695180 /nfs/dbraw/zinc/69/51/80/1095695180.db2.gz GLWDJQPYVCCJMP-GXTWGEPZSA-N 2 1 316.392 3.482 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620206 1095695184 /nfs/dbraw/zinc/69/51/84/1095695184.db2.gz GLWDJQPYVCCJMP-GXTWGEPZSA-N 2 1 316.392 3.482 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900827 1095695243 /nfs/dbraw/zinc/69/52/43/1095695243.db2.gz SWTLHNXZCIQKFT-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900827 1095695247 /nfs/dbraw/zinc/69/52/47/1095695247.db2.gz SWTLHNXZCIQKFT-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620190 1095696239 /nfs/dbraw/zinc/69/62/39/1095696239.db2.gz FUSNXSCHLOYOAS-QFBILLFUSA-N 2 1 310.441 3.422 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623159 1095698982 /nfs/dbraw/zinc/69/89/82/1095698982.db2.gz DBGCASZJXVIDJP-GASCZTMLSA-N 2 1 312.379 3.179 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1C(F)(F)F ZINC001222629206 1095699604 /nfs/dbraw/zinc/69/96/04/1095699604.db2.gz DVODCQWYLUJGSZ-OKILXGFUSA-N 2 1 312.379 3.445 20 0 DGADMP Fc1c(Cl)ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC001222630044 1095700114 /nfs/dbraw/zinc/70/01/14/1095700114.db2.gz XIYBVSPMBTZOKZ-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cncnc3)C[C@@H]21 ZINC001137667326 1095705149 /nfs/dbraw/zinc/70/51/49/1095705149.db2.gz KNSJHYNIFMQLMT-UFYCRDLUSA-N 2 1 322.456 3.087 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001144590136 1095730840 /nfs/dbraw/zinc/73/08/40/1095730840.db2.gz XGQXOLAIVUIPIP-GASCZTMLSA-N 2 1 324.428 3.058 20 0 DGADMP Cn1ccc2cc(C[NH+]3CCC[C@]4(CCC[N@@H+](C)C4)C3)ccc21 ZINC001276840876 1095762181 /nfs/dbraw/zinc/76/21/81/1095762181.db2.gz XJNLQGYZWXOVKJ-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001137893305 1095780910 /nfs/dbraw/zinc/78/09/10/1095780910.db2.gz OHSXLTUYJRTJLZ-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc4scnc4c3)C[C@H]2C1 ZINC001144743821 1095806206 /nfs/dbraw/zinc/80/62/06/1095806206.db2.gz BLBPBRYQZKYMLV-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC001137978844 1095814162 /nfs/dbraw/zinc/81/41/62/1095814162.db2.gz SJRHULNLRUOHQQ-UHFFFAOYSA-N 2 1 315.848 3.416 20 0 DGADMP C[NH2+]CCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001340155896 1095887793 /nfs/dbraw/zinc/88/77/93/1095887793.db2.gz VNXXRLGDZAPVSF-MRXNPFEDSA-N 2 1 317.477 3.247 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(CC[NH3+])cc3)c2C1 ZINC001340199814 1095903211 /nfs/dbraw/zinc/90/32/11/1095903211.db2.gz GNJIWFMZOKXDGC-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(CC[NH3+])cc3)c2C1 ZINC001340199814 1095903219 /nfs/dbraw/zinc/90/32/19/1095903219.db2.gz GNJIWFMZOKXDGC-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253746 1095935354 /nfs/dbraw/zinc/93/53/54/1095935354.db2.gz IWTGEHDSXGSHNV-RTRPANQVSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001340525803 1095969020 /nfs/dbraw/zinc/96/90/20/1095969020.db2.gz GBWLGMJNUZLBJT-GSEOLPGOSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001340525803 1095969024 /nfs/dbraw/zinc/96/90/24/1095969024.db2.gz GBWLGMJNUZLBJT-GSEOLPGOSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CC3(C2)CC(F)(F)CS3)C[C@H](CC)[NH2+]1 ZINC001246852833 1096046626 /nfs/dbraw/zinc/04/66/26/1096046626.db2.gz KULDNHVSJIFSGP-CLLJXQQHSA-N 2 1 304.450 3.122 20 0 DGADMP CC[C@H]1CC([NH+]2CC3(C2)CC(F)(F)CS3)C[C@H](CC)[NH2+]1 ZINC001246852841 1096047008 /nfs/dbraw/zinc/04/70/08/1096047008.db2.gz KULDNHVSJIFSGP-RYUDHWBXSA-N 2 1 304.450 3.122 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942848 1096125952 /nfs/dbraw/zinc/12/59/52/1096125952.db2.gz BLFSBOKGXBNETC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942848 1096125957 /nfs/dbraw/zinc/12/59/57/1096125957.db2.gz BLFSBOKGXBNETC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942848 1096125959 /nfs/dbraw/zinc/12/59/59/1096125959.db2.gz BLFSBOKGXBNETC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942848 1096125962 /nfs/dbraw/zinc/12/59/62/1096125962.db2.gz BLFSBOKGXBNETC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc3cc[nH]c31)CC2 ZINC001276943202 1096128657 /nfs/dbraw/zinc/12/86/57/1096128657.db2.gz QFSNTJCKPGOEHA-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+](C)CC[C@@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccccc1 ZINC001224137533 1096144576 /nfs/dbraw/zinc/14/45/76/1096144576.db2.gz XAECIPSJVXZSCR-WCIQWLHISA-N 2 1 316.489 3.426 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC001341373273 1096164625 /nfs/dbraw/zinc/16/46/25/1096164625.db2.gz CQXNGTLJMHWBMV-BRWVUGGUSA-N 2 1 308.416 3.451 20 0 DGADMP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)c21 ZINC001119352030 1096176550 /nfs/dbraw/zinc/17/65/50/1096176550.db2.gz GZBLZFSLNBGARJ-HNNXBMFYSA-N 2 1 315.461 3.181 20 0 DGADMP C[NH+]1CCC(CO[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001224455798 1096216594 /nfs/dbraw/zinc/21/65/94/1096216594.db2.gz WFSGHVDRVJDEAD-QGZVFWFLSA-N 2 1 322.880 3.273 20 0 DGADMP c1ccc(Oc2cccc(C[NH2+]CCC[NH+]3CCCC3)c2)nc1 ZINC001119609985 1096232677 /nfs/dbraw/zinc/23/26/77/1096232677.db2.gz WWGHHNZTINTRFC-UHFFFAOYSA-N 2 1 311.429 3.449 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224705973 1096267530 /nfs/dbraw/zinc/26/75/30/1096267530.db2.gz IBZMLDHFUYJZQU-KURKYZTESA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224705973 1096267536 /nfs/dbraw/zinc/26/75/36/1096267536.db2.gz IBZMLDHFUYJZQU-KURKYZTESA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224705973 1096267540 /nfs/dbraw/zinc/26/75/40/1096267540.db2.gz IBZMLDHFUYJZQU-KURKYZTESA-N 2 1 317.477 3.108 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001224707656 1096269183 /nfs/dbraw/zinc/26/91/83/1096269183.db2.gz SFOQUWGHAMLWGG-MSOLQXFVSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707656 1096269187 /nfs/dbraw/zinc/26/91/87/1096269187.db2.gz SFOQUWGHAMLWGG-MSOLQXFVSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707656 1096269194 /nfs/dbraw/zinc/26/91/94/1096269194.db2.gz SFOQUWGHAMLWGG-MSOLQXFVSA-N 2 1 322.880 3.415 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@H](OCCC[NH+]3CCCC3)C2)cc1 ZINC001224750258 1096277860 /nfs/dbraw/zinc/27/78/60/1096277860.db2.gz PMVUYRXARIXJMW-SFHVURJKSA-N 2 1 322.880 3.417 20 0 DGADMP CCCC[NH+](CCCC)CCCO[C@@H](C)C[NH+]1CCOCC1 ZINC001224752078 1096278869 /nfs/dbraw/zinc/27/88/69/1096278869.db2.gz BCUQPQNHFATWHI-SFHVURJKSA-N 2 1 314.514 3.016 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[NH+]1C ZINC001224816775 1096290490 /nfs/dbraw/zinc/29/04/90/1096290490.db2.gz AFJMQMTXDRBCIZ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224816775 1096290499 /nfs/dbraw/zinc/29/04/99/1096290499.db2.gz AFJMQMTXDRBCIZ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224816775 1096290507 /nfs/dbraw/zinc/29/05/07/1096290507.db2.gz AFJMQMTXDRBCIZ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCC[NH+]1C ZINC001224820946 1096292610 /nfs/dbraw/zinc/29/26/10/1096292610.db2.gz XXXLOHWTLXBCGQ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224820946 1096292616 /nfs/dbraw/zinc/29/26/16/1096292616.db2.gz XXXLOHWTLXBCGQ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224820946 1096292622 /nfs/dbraw/zinc/29/26/22/1096292622.db2.gz XXXLOHWTLXBCGQ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C)CCCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224990569 1096330396 /nfs/dbraw/zinc/33/03/96/1096330396.db2.gz BAWSJGUPBYNGRQ-QGZVFWFLSA-N 2 1 310.869 3.273 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330603 1096362351 /nfs/dbraw/zinc/36/23/51/1096362351.db2.gz TXEFTMGGEWVTJU-MSOLQXFVSA-N 2 1 323.525 3.092 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171452129 1096880477 /nfs/dbraw/zinc/88/04/77/1096880477.db2.gz CGZNQECJYXNHDX-LVQVYYBASA-N 2 1 306.400 3.037 20 0 DGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586830 1096919922 /nfs/dbraw/zinc/91/99/22/1096919922.db2.gz UHOCVOGZVGGPHV-HOTGVXAUSA-N 2 1 313.530 3.027 20 0 DGADMP Cc1cccc2c1CC[C@H]([N@H+]1Cc3ccccc3C[C@@H]1CN)C2 ZINC001171563007 1096924232 /nfs/dbraw/zinc/92/42/32/1096924232.db2.gz BSHQKNLXQUFJIY-VQTJNVASSA-N 2 1 306.453 3.238 20 0 DGADMP Cc1cccc2c1CC[C@H](N1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001171563007 1096924236 /nfs/dbraw/zinc/92/42/36/1096924236.db2.gz BSHQKNLXQUFJIY-VQTJNVASSA-N 2 1 306.453 3.238 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3cc(CO)ccc3C2)CC1(C)C ZINC001171631335 1096931554 /nfs/dbraw/zinc/93/15/54/1096931554.db2.gz GSELVJADCNHFHT-UHFFFAOYSA-N 2 1 316.489 3.188 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc3c(c2)OCCO3)CC1(C)C ZINC001171614303 1096934490 /nfs/dbraw/zinc/93/44/90/1096934490.db2.gz XFOYKOAQXSENIO-UHFFFAOYSA-N 2 1 318.461 3.199 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncn2CC2CCC2)CC1(C)C ZINC001171627152 1096938344 /nfs/dbraw/zinc/93/83/44/1096938344.db2.gz MDSCTCBVPJMZCB-UHFFFAOYSA-N 2 1 318.509 3.424 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625661 1096938637 /nfs/dbraw/zinc/93/86/37/1096938637.db2.gz MIFALJXYPUSNPK-HNNXBMFYSA-N 2 1 309.542 3.490 20 0 DGADMP Cc1c(F)cccc1[C@@H](CO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626306 1096938655 /nfs/dbraw/zinc/93/86/55/1096938655.db2.gz XODPLAFQENLJHA-QGZVFWFLSA-N 2 1 322.468 3.409 20 0 DGADMP CO[C@@H]1CCC[C@@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]21 ZINC001171636015 1096948062 /nfs/dbraw/zinc/94/80/62/1096948062.db2.gz CMIKFELHHUANQZ-HYVNUMGLSA-N 2 1 308.510 3.385 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)CC1(C)C ZINC001171641026 1096949142 /nfs/dbraw/zinc/94/91/42/1096949142.db2.gz ARHDMNNWLJGGIH-INIZCTEOSA-N 2 1 316.436 3.138 20 0 DGADMP CCCCOC(=O)[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171640293 1096949642 /nfs/dbraw/zinc/94/96/42/1096949642.db2.gz AVMGRBLQJXTUFI-HNNXBMFYSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@@H](n2ncc3c2cccc3C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171728511 1096956719 /nfs/dbraw/zinc/95/67/19/1096956719.db2.gz OZXYYZAIAZZLNK-MAUKXSAKSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](N2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171764742 1096966097 /nfs/dbraw/zinc/96/60/97/1096966097.db2.gz UTTMWQFLONOQLL-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958671 1097004187 /nfs/dbraw/zinc/00/41/87/1097004187.db2.gz FHOKLSBDSZKMDZ-LBPRGKRZSA-N 2 1 311.351 3.431 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001171957980 1097004535 /nfs/dbraw/zinc/00/45/35/1097004535.db2.gz KAHNBEJNFZVHNH-LBPRGKRZSA-N 2 1 300.368 3.320 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171961882 1097005653 /nfs/dbraw/zinc/00/56/53/1097005653.db2.gz BGJFVBYQZYEWOH-GUDVDZBRSA-N 2 1 316.489 3.323 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171963720 1097006649 /nfs/dbraw/zinc/00/66/49/1097006649.db2.gz FBAJIFJMAFTFGD-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)C[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171962698 1097006820 /nfs/dbraw/zinc/00/68/20/1097006820.db2.gz CKOAJBABLUZSQG-OTWHNJEPSA-N 2 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962698 1097006823 /nfs/dbraw/zinc/00/68/23/1097006823.db2.gz CKOAJBABLUZSQG-OTWHNJEPSA-N 3 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171962698 1097006827 /nfs/dbraw/zinc/00/68/27/1097006827.db2.gz CKOAJBABLUZSQG-OTWHNJEPSA-N 3 1 315.505 3.289 20 0 DGADMP CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC001171964047 1097007104 /nfs/dbraw/zinc/00/71/04/1097007104.db2.gz KANLGNOZFYZDPR-KRWDZBQOSA-N 2 1 302.462 3.056 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC001277253421 1097014581 /nfs/dbraw/zinc/01/45/81/1097014581.db2.gz DNCDJWVZYZYIJQ-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2)n1 ZINC001277253421 1097014586 /nfs/dbraw/zinc/01/45/86/1097014586.db2.gz DNCDJWVZYZYIJQ-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc2)n1 ZINC001277253421 1097014591 /nfs/dbraw/zinc/01/45/91/1097014591.db2.gz DNCDJWVZYZYIJQ-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988808 1097014932 /nfs/dbraw/zinc/01/49/32/1097014932.db2.gz VXRQELIRIRVESM-ICSRJNTNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988808 1097014937 /nfs/dbraw/zinc/01/49/37/1097014937.db2.gz VXRQELIRIRVESM-ICSRJNTNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988808 1097014941 /nfs/dbraw/zinc/01/49/41/1097014941.db2.gz VXRQELIRIRVESM-ICSRJNTNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988808 1097014946 /nfs/dbraw/zinc/01/49/46/1097014946.db2.gz VXRQELIRIRVESM-ICSRJNTNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171972499 1097021213 /nfs/dbraw/zinc/02/12/13/1097021213.db2.gz QHCSSZVZKXUPMB-OTWHNJEPSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)N1CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972649 1097022108 /nfs/dbraw/zinc/02/21/08/1097022108.db2.gz SACCCDSDABDNRM-GOSISDBHSA-N 2 1 315.505 3.112 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976013 1097023457 /nfs/dbraw/zinc/02/34/57/1097023457.db2.gz OONVLMWLJZCQQT-FGTMMUONSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975141 1097024187 /nfs/dbraw/zinc/02/41/87/1097024187.db2.gz LEBOEXSFDDGIBI-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978537 1097025883 /nfs/dbraw/zinc/02/58/83/1097025883.db2.gz ZEECMDPJLFDWAT-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978537 1097025887 /nfs/dbraw/zinc/02/58/87/1097025887.db2.gz ZEECMDPJLFDWAT-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978537 1097025894 /nfs/dbraw/zinc/02/58/94/1097025894.db2.gz ZEECMDPJLFDWAT-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977393 1097026222 /nfs/dbraw/zinc/02/62/22/1097026222.db2.gz RFPYHZKRYGDHNI-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977393 1097026229 /nfs/dbraw/zinc/02/62/29/1097026229.db2.gz RFPYHZKRYGDHNI-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977393 1097026234 /nfs/dbraw/zinc/02/62/34/1097026234.db2.gz RFPYHZKRYGDHNI-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977393 1097026241 /nfs/dbraw/zinc/02/62/41/1097026241.db2.gz RFPYHZKRYGDHNI-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP COC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979776 1097028077 /nfs/dbraw/zinc/02/80/77/1097028077.db2.gz QWCAZYPJMUDAOC-JLAWEPINSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@H+]([C@@H]1CCOC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987938 1097030012 /nfs/dbraw/zinc/03/00/12/1097030012.db2.gz MIIHIPCSGLVBIX-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+]([C@@H]1CCOC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987938 1097030018 /nfs/dbraw/zinc/03/00/18/1097030018.db2.gz MIIHIPCSGLVBIX-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987938 1097030024 /nfs/dbraw/zinc/03/00/24/1097030024.db2.gz MIIHIPCSGLVBIX-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987938 1097030027 /nfs/dbraw/zinc/03/00/27/1097030027.db2.gz MIIHIPCSGLVBIX-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC3(CSC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985925 1097030116 /nfs/dbraw/zinc/03/01/16/1097030116.db2.gz CZOWPJVSRBBMMU-KRWDZBQOSA-N 2 1 316.514 3.478 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC3(CSC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985925 1097030119 /nfs/dbraw/zinc/03/01/19/1097030119.db2.gz CZOWPJVSRBBMMU-KRWDZBQOSA-N 2 1 316.514 3.478 20 0 DGADMP C[N@@H+](CC1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075022 1097037909 /nfs/dbraw/zinc/03/79/09/1097037909.db2.gz NKAMIPWNPSBABO-PMOLBWCYSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075022 1097037914 /nfs/dbraw/zinc/03/79/14/1097037914.db2.gz NKAMIPWNPSBABO-PMOLBWCYSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075022 1097037917 /nfs/dbraw/zinc/03/79/17/1097037917.db2.gz NKAMIPWNPSBABO-PMOLBWCYSA-N 2 1 314.473 3.150 20 0 DGADMP O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172079746 1097038052 /nfs/dbraw/zinc/03/80/52/1097038052.db2.gz QSLKOYCAAXKPMD-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172079746 1097038059 /nfs/dbraw/zinc/03/80/59/1097038059.db2.gz QSLKOYCAAXKPMD-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172079746 1097038065 /nfs/dbraw/zinc/03/80/65/1097038065.db2.gz QSLKOYCAAXKPMD-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172079746 1097038072 /nfs/dbraw/zinc/03/80/72/1097038072.db2.gz QSLKOYCAAXKPMD-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3cc(Cl)ccc3nc1C[NH3+])C2 ZINC001172101687 1097041320 /nfs/dbraw/zinc/04/13/20/1097041320.db2.gz HXJMZVCAXXRKCX-BTTYYORXSA-N 2 1 318.852 3.336 20 0 DGADMP CN(CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100524 1097041797 /nfs/dbraw/zinc/04/17/97/1097041797.db2.gz DIXVRJCMXQLAHB-LUPIEILUSA-N 2 1 301.478 3.118 20 0 DGADMP C[NH+](C)CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100587 1097041917 /nfs/dbraw/zinc/04/19/17/1097041917.db2.gz FNIQHECATXOHDV-YRPNKDGESA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)N(CC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061964 1097043117 /nfs/dbraw/zinc/04/31/17/1097043117.db2.gz KHYLMQMPLBSMBN-ACDBMABISA-N 2 1 315.505 3.241 20 0 DGADMP [NH3+]Cc1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172066462 1097044064 /nfs/dbraw/zinc/04/40/64/1097044064.db2.gz XGKFJKITLMOVMG-BWTSREIZSA-N 2 1 310.445 3.100 20 0 DGADMP Cn1cncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067380 1097044605 /nfs/dbraw/zinc/04/46/05/1097044605.db2.gz NAIPMIHAHRXTDB-REPLKXPHSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1cncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067380 1097044610 /nfs/dbraw/zinc/04/46/10/1097044610.db2.gz NAIPMIHAHRXTDB-REPLKXPHSA-N 2 1 324.472 3.095 20 0 DGADMP COCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069601 1097046168 /nfs/dbraw/zinc/04/61/68/1097046168.db2.gz VLVCHUZGYSZJED-REPLKXPHSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001172127215 1097047754 /nfs/dbraw/zinc/04/77/54/1097047754.db2.gz HKRBCJBPIWBVTK-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC001172127215 1097047758 /nfs/dbraw/zinc/04/77/58/1097047758.db2.gz HKRBCJBPIWBVTK-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001172127215 1097047772 /nfs/dbraw/zinc/04/77/72/1097047772.db2.gz HKRBCJBPIWBVTK-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130830 1097049439 /nfs/dbraw/zinc/04/94/39/1097049439.db2.gz SHZXLDSOXBAPBN-BJWYYQGGSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130830 1097049443 /nfs/dbraw/zinc/04/94/43/1097049443.db2.gz SHZXLDSOXBAPBN-BJWYYQGGSA-N 2 1 322.493 3.057 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3cccc(F)c3)C1)C2 ZINC001172132850 1097050367 /nfs/dbraw/zinc/05/03/67/1097050367.db2.gz OYVXCQHRGLFDFQ-FAJBIJEISA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3cccc(F)c3)C1)C2 ZINC001172132850 1097050372 /nfs/dbraw/zinc/05/03/72/1097050372.db2.gz OYVXCQHRGLFDFQ-FAJBIJEISA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3cccc(F)c3)C1)C2 ZINC001172132850 1097050376 /nfs/dbraw/zinc/05/03/76/1097050376.db2.gz OYVXCQHRGLFDFQ-FAJBIJEISA-N 2 1 318.436 3.294 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172131638 1097050487 /nfs/dbraw/zinc/05/04/87/1097050487.db2.gz XTIWIIJHEVHEPH-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131638 1097050492 /nfs/dbraw/zinc/05/04/92/1097050492.db2.gz XTIWIIJHEVHEPH-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131638 1097050497 /nfs/dbraw/zinc/05/04/97/1097050497.db2.gz XTIWIIJHEVHEPH-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172131638 1097050500 /nfs/dbraw/zinc/05/05/00/1097050500.db2.gz XTIWIIJHEVHEPH-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172131638 1097050503 /nfs/dbraw/zinc/05/05/03/1097050503.db2.gz XTIWIIJHEVHEPH-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3c3c1C[C@H]([NH3+])C3)C2 ZINC001172104348 1097052496 /nfs/dbraw/zinc/05/24/96/1097052496.db2.gz BRELAMMRBVETRL-LVQVYYBASA-N 2 1 309.457 3.255 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c(C[NH3+])cc3cccc(F)c31)C2 ZINC001172110528 1097056462 /nfs/dbraw/zinc/05/64/62/1097056462.db2.gz OHVXOHUIKNFRFT-FICVDOATSA-N 2 1 301.409 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)C2 ZINC001172109654 1097057391 /nfs/dbraw/zinc/05/73/91/1097057391.db2.gz IQKZTEXLJRLLPV-LEUOFYLZSA-N 2 1 322.880 3.021 20 0 DGADMP COc1cccc2c1c(C[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112805 1097058146 /nfs/dbraw/zinc/05/81/46/1097058146.db2.gz AGPOQHLYOBSRBZ-MUJYYYPQSA-N 2 1 313.445 3.296 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1cccc3ccoc31)C2 ZINC001172111651 1097058912 /nfs/dbraw/zinc/05/89/12/1097058912.db2.gz WFWRONKXCFKFSE-BJWYYQGGSA-N 2 1 314.429 3.417 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172112843 1097059584 /nfs/dbraw/zinc/05/95/84/1097059584.db2.gz ANIOPVOWKYPEJN-ZXFNITATSA-N 2 1 316.445 3.124 20 0 DGADMP COc1cncc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172113542 1097059774 /nfs/dbraw/zinc/05/97/74/1097059774.db2.gz KBTZFXLBRIDUEB-BMFAXAFESA-N 2 1 315.461 3.146 20 0 DGADMP COc1cncc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172113542 1097059780 /nfs/dbraw/zinc/05/97/80/1097059780.db2.gz KBTZFXLBRIDUEB-BMFAXAFESA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172114316 1097060624 /nfs/dbraw/zinc/06/06/24/1097060624.db2.gz NIYKIWPVSOWNEN-LDLYASANSA-N 3 1 321.553 3.349 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172114316 1097060629 /nfs/dbraw/zinc/06/06/29/1097060629.db2.gz NIYKIWPVSOWNEN-LDLYASANSA-N 2 1 321.553 3.349 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114016 1097060937 /nfs/dbraw/zinc/06/09/37/1097060937.db2.gz NTXUMWYWFQGCSM-ZJPYXAASSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114016 1097060945 /nfs/dbraw/zinc/06/09/45/1097060945.db2.gz NTXUMWYWFQGCSM-ZJPYXAASSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114016 1097060951 /nfs/dbraw/zinc/06/09/51/1097060951.db2.gz NTXUMWYWFQGCSM-ZJPYXAASSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114016 1097060956 /nfs/dbraw/zinc/06/09/56/1097060956.db2.gz NTXUMWYWFQGCSM-ZJPYXAASSA-N 2 1 314.473 3.500 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113985 1097062481 /nfs/dbraw/zinc/06/24/81/1097062481.db2.gz NGYLHXRUVUNIMG-ZMGNVYRQSA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113985 1097062488 /nfs/dbraw/zinc/06/24/88/1097062488.db2.gz NGYLHXRUVUNIMG-ZMGNVYRQSA-N 3 1 307.526 3.244 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121144 1097062889 /nfs/dbraw/zinc/06/28/89/1097062889.db2.gz IDRQLJXTECNJTM-SFNKJDCFSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121144 1097062893 /nfs/dbraw/zinc/06/28/93/1097062893.db2.gz IDRQLJXTECNJTM-SFNKJDCFSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121144 1097062897 /nfs/dbraw/zinc/06/28/97/1097062897.db2.gz IDRQLJXTECNJTM-SFNKJDCFSA-N 2 1 318.436 3.294 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc(C(F)(F)F)c1)C2 ZINC001172119361 1097063138 /nfs/dbraw/zinc/06/31/38/1097063138.db2.gz YTDNVCCRPBKOAH-QKDCVEJESA-N 2 1 313.367 3.205 20 0 DGADMP COc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118955 1097065210 /nfs/dbraw/zinc/06/52/10/1097065210.db2.gz UNDHIDSWYYESSO-NNZMDNLPSA-N 2 1 302.462 3.417 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232017 1097082693 /nfs/dbraw/zinc/08/26/93/1097082693.db2.gz XSAZROBTAWGWNT-XUBOLADHSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232017 1097082697 /nfs/dbraw/zinc/08/26/97/1097082697.db2.gz XSAZROBTAWGWNT-XUBOLADHSA-N 2 1 314.473 3.150 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001172254005 1097092676 /nfs/dbraw/zinc/09/26/76/1097092676.db2.gz GLLCRZZGIHFGNN-LJQANCHMSA-N 2 1 320.452 3.464 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001172254005 1097092680 /nfs/dbraw/zinc/09/26/80/1097092680.db2.gz GLLCRZZGIHFGNN-LJQANCHMSA-N 2 1 320.452 3.464 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC001172291946 1097106744 /nfs/dbraw/zinc/10/67/44/1097106744.db2.gz KKJOFIMWDUINFM-FHWLQOOXSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC001172291946 1097106746 /nfs/dbraw/zinc/10/67/46/1097106746.db2.gz KKJOFIMWDUINFM-FHWLQOOXSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC001172291946 1097106750 /nfs/dbraw/zinc/10/67/50/1097106750.db2.gz KKJOFIMWDUINFM-FHWLQOOXSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)[C@H](C)C2)nc(C)[nH+]1 ZINC001172381964 1097111412 /nfs/dbraw/zinc/11/14/12/1097111412.db2.gz IYFQSKOMQARNOA-PMUMKWKESA-N 2 1 316.493 3.477 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC001172359520 1097125052 /nfs/dbraw/zinc/12/50/52/1097125052.db2.gz JYPZGUVLCGBYLG-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172409555 1097131535 /nfs/dbraw/zinc/13/15/35/1097131535.db2.gz WUJASSZTMZTEPK-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001172424688 1097136048 /nfs/dbraw/zinc/13/60/48/1097136048.db2.gz QBLZNCXSKXRLHT-QGZVFWFLSA-N 2 1 320.477 3.383 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172425902 1097136843 /nfs/dbraw/zinc/13/68/43/1097136843.db2.gz FKLBZTUSLOFIFE-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP CCOCC[C@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172429749 1097137938 /nfs/dbraw/zinc/13/79/38/1097137938.db2.gz CNRWEBLHJQFBKE-KRWDZBQOSA-N 2 1 316.489 3.324 20 0 DGADMP CCOCC[C@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172429749 1097137939 /nfs/dbraw/zinc/13/79/39/1097137939.db2.gz CNRWEBLHJQFBKE-KRWDZBQOSA-N 2 1 316.489 3.324 20 0 DGADMP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172433129 1097139957 /nfs/dbraw/zinc/13/99/57/1097139957.db2.gz GMXACRZDPLAFJL-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172444124 1097155698 /nfs/dbraw/zinc/15/56/98/1097155698.db2.gz IQROZIDCSDHYIM-WDSOQIARSA-N 2 1 319.493 3.357 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172604949 1097192427 /nfs/dbraw/zinc/19/24/27/1097192427.db2.gz NJSKOXRPBKIIPC-VQHPVUNQSA-N 2 1 324.509 3.336 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172606689 1097193412 /nfs/dbraw/zinc/19/34/12/1097193412.db2.gz VAEJMUSYROCKMC-LAQRGFTBSA-N 2 1 324.509 3.479 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172611613 1097195829 /nfs/dbraw/zinc/19/58/29/1097195829.db2.gz ZXFPFFXDMFTKDQ-LAQRGFTBSA-N 2 1 322.493 3.233 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206174672 1097214989 /nfs/dbraw/zinc/21/49/89/1097214989.db2.gz OPMOVIMCUZDZPA-ZIAGYGMSSA-N 2 1 320.330 3.155 20 0 DGADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000323745460 1097225205 /nfs/dbraw/zinc/22/52/05/1097225205.db2.gz RVRHYDGGPTVMPU-INIZCTEOSA-N 2 1 317.477 3.258 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172755913 1097230645 /nfs/dbraw/zinc/23/06/45/1097230645.db2.gz LCEJGWGGBJNVNV-WMZOPIPTSA-N 2 1 320.477 3.389 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781364 1097240897 /nfs/dbraw/zinc/24/08/97/1097240897.db2.gz WOYIGOSYXKPHOO-XSLAGTTESA-N 2 1 322.493 3.090 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001172793580 1097244133 /nfs/dbraw/zinc/24/41/33/1097244133.db2.gz ZPMTYHCKFJRATC-QZTJIDSGSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172854986 1097262843 /nfs/dbraw/zinc/26/28/43/1097262843.db2.gz BAKRGYXKKLVVLA-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172858883 1097264812 /nfs/dbraw/zinc/26/48/12/1097264812.db2.gz WMRUSTLDVAQJDW-LBPRGKRZSA-N 2 1 307.800 3.165 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172858883 1097264818 /nfs/dbraw/zinc/26/48/18/1097264818.db2.gz WMRUSTLDVAQJDW-LBPRGKRZSA-N 2 1 307.800 3.165 20 0 DGADMP C[NH+]1CCC(c2ccc(-n3c[nH+]c4cccc(N)c43)cc2)CC1 ZINC001212689815 1097277363 /nfs/dbraw/zinc/27/73/63/1097277363.db2.gz LIRGABHHLVEDAQ-UHFFFAOYSA-N 2 1 306.413 3.417 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001172927294 1097283669 /nfs/dbraw/zinc/28/36/69/1097283669.db2.gz FOLWFRNKVLUODF-SJORKVTESA-N 2 1 306.425 3.033 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929675 1097284205 /nfs/dbraw/zinc/28/42/05/1097284205.db2.gz OSFLREASVHXQQK-NCXUSEDFSA-N 2 1 317.477 3.111 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229301947 1097292299 /nfs/dbraw/zinc/29/22/99/1097292299.db2.gz DTLLJNBBIBPYNJ-SFHVURJKSA-N 2 1 318.461 3.073 20 0 DGADMP C(C1CC1)[N@H+]1CCC2(CN(C3CCC4(CCOCC4)CC3)C2)C1 ZINC001173046339 1097311463 /nfs/dbraw/zinc/31/14/63/1097311463.db2.gz VKPVZVSSBIZOHN-UHFFFAOYSA-N 2 1 318.505 3.144 20 0 DGADMP C(C1CC1)[N@H+]1CCC2(C[NH+](C3CCC4(CCOCC4)CC3)C2)C1 ZINC001173046339 1097311472 /nfs/dbraw/zinc/31/14/72/1097311472.db2.gz VKPVZVSSBIZOHN-UHFFFAOYSA-N 2 1 318.505 3.144 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173074163 1097323125 /nfs/dbraw/zinc/32/31/25/1097323125.db2.gz CWRFADOUYGSUJN-NEPJUHHUSA-N 2 1 304.356 3.043 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001173114247 1097332686 /nfs/dbraw/zinc/33/26/86/1097332686.db2.gz DEHMPPYHLGUTTE-HTWSVDAQSA-N 2 1 302.466 3.267 20 0 DGADMP CCOC(=O)[C@H]1CCCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173113504 1097333134 /nfs/dbraw/zinc/33/31/34/1097333134.db2.gz RJUADHSPZJONRX-AOCRQIFASA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173121047 1097335945 /nfs/dbraw/zinc/33/59/45/1097335945.db2.gz LWZRUDIYONLBOI-HZPDHXFCSA-N 2 1 315.486 3.283 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001173169524 1097364236 /nfs/dbraw/zinc/36/42/36/1097364236.db2.gz PERWKZWFSWGNIP-JFRXWTBNSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001173169524 1097364243 /nfs/dbraw/zinc/36/42/43/1097364243.db2.gz PERWKZWFSWGNIP-JFRXWTBNSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001173267243 1097389864 /nfs/dbraw/zinc/38/98/64/1097389864.db2.gz QRVHZVWDDVKUFS-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001173268630 1097389991 /nfs/dbraw/zinc/38/99/91/1097389991.db2.gz ZINBLTPNHXQWOL-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229868450 1097402846 /nfs/dbraw/zinc/40/28/46/1097402846.db2.gz HNXGKJYKFZVTIN-BTFXCVNISA-N 2 1 323.525 3.092 20 0 DGADMP CCSC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001173299193 1097402988 /nfs/dbraw/zinc/40/29/88/1097402988.db2.gz BRTXUCYZEWYESH-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001173299193 1097402991 /nfs/dbraw/zinc/40/29/91/1097402991.db2.gz BRTXUCYZEWYESH-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001173299193 1097402992 /nfs/dbraw/zinc/40/29/92/1097402992.db2.gz BRTXUCYZEWYESH-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001173299193 1097402994 /nfs/dbraw/zinc/40/29/94/1097402994.db2.gz BRTXUCYZEWYESH-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001173299193 1097402995 /nfs/dbraw/zinc/40/29/95/1097402995.db2.gz BRTXUCYZEWYESH-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173306523 1097405523 /nfs/dbraw/zinc/40/55/23/1097405523.db2.gz VREAWPKKYJRIKV-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP CCSC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173306523 1097405526 /nfs/dbraw/zinc/40/55/26/1097405526.db2.gz VREAWPKKYJRIKV-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP CCSC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173306523 1097405532 /nfs/dbraw/zinc/40/55/32/1097405532.db2.gz VREAWPKKYJRIKV-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP CC[C@@H](C)c1nn(C)cc1CN1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277451452 1097465382 /nfs/dbraw/zinc/46/53/82/1097465382.db2.gz BFDGUPLCHROFTP-APWZRJJASA-N 2 1 318.509 3.241 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173599099 1097469240 /nfs/dbraw/zinc/46/92/40/1097469240.db2.gz KANILJIMFKXHIQ-TVRKMHQQSA-N 2 1 324.509 3.210 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173599099 1097469245 /nfs/dbraw/zinc/46/92/45/1097469245.db2.gz KANILJIMFKXHIQ-TVRKMHQQSA-N 2 1 324.509 3.210 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173619660 1097472684 /nfs/dbraw/zinc/47/26/84/1097472684.db2.gz BMTZKRDLIJDHKY-RDJZCZTQSA-N 2 1 310.482 3.092 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632403 1097479847 /nfs/dbraw/zinc/47/98/47/1097479847.db2.gz LYCPYOBBQANIMC-BRSBDYLESA-N 2 1 324.509 3.336 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173736270 1097503197 /nfs/dbraw/zinc/50/31/97/1097503197.db2.gz XHGDSRQXCFOESM-MRXNPFEDSA-N 2 1 320.477 3.068 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2cccnc12 ZINC001231491720 1097761435 /nfs/dbraw/zinc/76/14/35/1097761435.db2.gz YRHCQQZZXSZILE-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cccnc12 ZINC001231491720 1097761439 /nfs/dbraw/zinc/76/14/39/1097761439.db2.gz YRHCQQZZXSZILE-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cccnc12 ZINC001231491720 1097761443 /nfs/dbraw/zinc/76/14/43/1097761443.db2.gz YRHCQQZZXSZILE-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP CCOc1ccc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001231657637 1097805409 /nfs/dbraw/zinc/80/54/09/1097805409.db2.gz PDXGXWHNTZFQBR-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001231657637 1097805416 /nfs/dbraw/zinc/80/54/16/1097805416.db2.gz PDXGXWHNTZFQBR-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001231657637 1097805422 /nfs/dbraw/zinc/80/54/22/1097805422.db2.gz PDXGXWHNTZFQBR-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001231657637 1097805428 /nfs/dbraw/zinc/80/54/28/1097805428.db2.gz PDXGXWHNTZFQBR-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001231657637 1097805436 /nfs/dbraw/zinc/80/54/36/1097805436.db2.gz PDXGXWHNTZFQBR-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2cc[nH]c2cn1 ZINC001231670270 1097812238 /nfs/dbraw/zinc/81/22/38/1097812238.db2.gz YIQLWEHIFDSTPR-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231670270 1097812242 /nfs/dbraw/zinc/81/22/42/1097812242.db2.gz YIQLWEHIFDSTPR-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231670270 1097812249 /nfs/dbraw/zinc/81/22/49/1097812249.db2.gz YIQLWEHIFDSTPR-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001231798746 1097846883 /nfs/dbraw/zinc/84/68/83/1097846883.db2.gz ZQESPPXNMJBKAV-UHFFFAOYSA-N 2 1 324.472 3.226 20 0 DGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccccc1C(C)C ZINC001231876671 1097875411 /nfs/dbraw/zinc/87/54/11/1097875411.db2.gz NNZCKKVUDQOEBU-UHFFFAOYSA-N 2 1 320.477 3.127 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(C)C ZINC001231876671 1097875418 /nfs/dbraw/zinc/87/54/18/1097875418.db2.gz NNZCKKVUDQOEBU-UHFFFAOYSA-N 2 1 320.477 3.127 20 0 DGADMP CC[N@@H+](Cc1c[nH]c2c1cccc2OC)C1CCN(C)CC1 ZINC001231900707 1097884999 /nfs/dbraw/zinc/88/49/99/1097884999.db2.gz NLCWYLVYNQQHSX-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001232002196 1097913014 /nfs/dbraw/zinc/91/30/14/1097913014.db2.gz KXEYPAQFIQQICE-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001232002196 1097913018 /nfs/dbraw/zinc/91/30/18/1097913018.db2.gz KXEYPAQFIQQICE-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001232002196 1097913023 /nfs/dbraw/zinc/91/30/23/1097913023.db2.gz KXEYPAQFIQQICE-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP COc1cccc(C[N@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c1OC ZINC001232015133 1097918393 /nfs/dbraw/zinc/91/83/93/1097918393.db2.gz BFFUWNIKQGWNPO-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP COc1cccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c1OC ZINC001232015133 1097918400 /nfs/dbraw/zinc/91/84/00/1097918400.db2.gz BFFUWNIKQGWNPO-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP Fc1ccc(N2CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232019409 1097919502 /nfs/dbraw/zinc/91/95/02/1097919502.db2.gz ZOJXDVQZDWFSPD-UHFFFAOYSA-N 2 1 324.403 3.414 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC001232149311 1097952042 /nfs/dbraw/zinc/95/20/42/1097952042.db2.gz MBCGDASTXNQULR-UHFFFAOYSA-N 2 1 320.452 3.422 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC001232149311 1097952048 /nfs/dbraw/zinc/95/20/48/1097952048.db2.gz MBCGDASTXNQULR-UHFFFAOYSA-N 2 1 320.452 3.422 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC001277624815 1097957436 /nfs/dbraw/zinc/95/74/36/1097957436.db2.gz IOYWYHRMAVDWGT-QRQLOZEOSA-N 2 1 307.526 3.056 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001232399060 1098027680 /nfs/dbraw/zinc/02/76/80/1098027680.db2.gz QZXUTMVQTYJGSV-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001232399060 1098027687 /nfs/dbraw/zinc/02/76/87/1098027687.db2.gz QZXUTMVQTYJGSV-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001232399060 1098027694 /nfs/dbraw/zinc/02/76/94/1098027694.db2.gz QZXUTMVQTYJGSV-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001232399060 1098027700 /nfs/dbraw/zinc/02/77/00/1098027700.db2.gz QZXUTMVQTYJGSV-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP CN(C)c1cc[nH+]cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504893 1098074784 /nfs/dbraw/zinc/07/47/84/1098074784.db2.gz FVNAYHLOFWREIB-UHFFFAOYSA-N 2 1 308.429 3.349 20 0 DGADMP Cc1cc[nH+]c(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC001277680955 1098076909 /nfs/dbraw/zinc/07/69/09/1098076909.db2.gz RDPZBKDEFPTPCG-UHFFFAOYSA-N 2 1 307.441 3.374 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001233003296 1098199326 /nfs/dbraw/zinc/19/93/26/1098199326.db2.gz BRBJVUCWHMZNPD-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001233003296 1098199332 /nfs/dbraw/zinc/19/93/32/1098199332.db2.gz BRBJVUCWHMZNPD-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233124602 1098232815 /nfs/dbraw/zinc/23/28/15/1098232815.db2.gz MLKGPYMHSAXPCQ-UHFFFAOYSA-N 2 1 318.440 3.254 20 0 DGADMP Cc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cnc1C ZINC001233162058 1098240041 /nfs/dbraw/zinc/24/00/41/1098240041.db2.gz PXWPBMWSUUUODT-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001233211300 1098251314 /nfs/dbraw/zinc/25/13/14/1098251314.db2.gz RCVOBQNUWNQESR-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001176285253 1098299646 /nfs/dbraw/zinc/29/96/46/1098299646.db2.gz NZSVWFKPQFKYAL-KRWDZBQOSA-N 2 1 313.530 3.029 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC(CC)CC ZINC001176286217 1098300482 /nfs/dbraw/zinc/30/04/82/1098300482.db2.gz UXZNWRWNTPUTNV-MRXNPFEDSA-N 2 1 313.530 3.029 20 0 DGADMP c1cn2cc(OC3CC[NH+](CCc4ccccc4)CC3)ccc2[nH+]1 ZINC001233753892 1098422026 /nfs/dbraw/zinc/42/20/26/1098422026.db2.gz BBNPPOJFSUMGHC-UHFFFAOYSA-N 2 1 321.424 3.420 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C ZINC001176759260 1098434121 /nfs/dbraw/zinc/43/41/21/1098434121.db2.gz HOSQUYSSFJFXRV-ROUUACIJSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC001206294970 1098484181 /nfs/dbraw/zinc/48/41/81/1098484181.db2.gz KTRLRTRCBMXETE-OAHLLOKOSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC001177294975 1098505596 /nfs/dbraw/zinc/50/55/96/1098505596.db2.gz UYNKGHOJVZIJDM-ZIAGYGMSSA-N 2 1 309.885 3.380 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206305178 1098551585 /nfs/dbraw/zinc/55/15/85/1098551585.db2.gz VMKOALBKJQPIRH-SFHVURJKSA-N 2 1 305.466 3.210 20 0 DGADMP CCOc1cc(F)c(F)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277856896 1098554779 /nfs/dbraw/zinc/55/47/79/1098554779.db2.gz WZOUGYODRUHMJQ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC(C)C1CCC([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001177737615 1098595958 /nfs/dbraw/zinc/59/59/58/1098595958.db2.gz UNAWTQYORODHIL-UHFFFAOYSA-N 2 1 309.542 3.064 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001277879647 1098652501 /nfs/dbraw/zinc/65/25/01/1098652501.db2.gz WYJZCHOUUZZFKP-UHFFFAOYSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCCCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277879647 1098652503 /nfs/dbraw/zinc/65/25/03/1098652503.db2.gz WYJZCHOUUZZFKP-UHFFFAOYSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277879647 1098652505 /nfs/dbraw/zinc/65/25/05/1098652505.db2.gz WYJZCHOUUZZFKP-UHFFFAOYSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277879647 1098652511 /nfs/dbraw/zinc/65/25/11/1098652511.db2.gz WYJZCHOUUZZFKP-UHFFFAOYSA-N 2 1 322.493 3.060 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC001234979807 1098733552 /nfs/dbraw/zinc/73/35/52/1098733552.db2.gz SBNYWUUEKNRLQS-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC001234979807 1098733564 /nfs/dbraw/zinc/73/35/64/1098733564.db2.gz SBNYWUUEKNRLQS-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001206318706 1098748233 /nfs/dbraw/zinc/74/82/33/1098748233.db2.gz SVALUXGMIBKAIP-CYBMUJFWSA-N 2 1 317.296 3.462 20 0 DGADMP CC(C)(CC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1)c1ccccc1 ZINC001235009151 1098750151 /nfs/dbraw/zinc/75/01/51/1098750151.db2.gz XQBGETPZASKEAR-HXUWFJFHSA-N 2 1 316.489 3.056 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001178249728 1098754996 /nfs/dbraw/zinc/75/49/96/1098754996.db2.gz SMCWZQLSBSXNIH-MRXNPFEDSA-N 2 1 321.484 3.349 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001178249728 1098755007 /nfs/dbraw/zinc/75/50/07/1098755007.db2.gz SMCWZQLSBSXNIH-MRXNPFEDSA-N 2 1 321.484 3.349 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235034087 1098763662 /nfs/dbraw/zinc/76/36/62/1098763662.db2.gz UPEMXGHMICBAKA-HXUWFJFHSA-N 2 1 308.425 3.245 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235038213 1098767244 /nfs/dbraw/zinc/76/72/44/1098767244.db2.gz UVCJINQXJAUBOI-NHCUHLMSSA-N 2 1 322.452 3.164 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)n1 ZINC001235047950 1098773839 /nfs/dbraw/zinc/77/38/39/1098773839.db2.gz XXAOORWGPUSHJX-IBGZPJMESA-N 2 1 317.477 3.367 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)n1 ZINC001235047950 1098773850 /nfs/dbraw/zinc/77/38/50/1098773850.db2.gz XXAOORWGPUSHJX-IBGZPJMESA-N 2 1 317.477 3.367 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1C ZINC001235047232 1098774648 /nfs/dbraw/zinc/77/46/48/1098774648.db2.gz UBLQNBNNOVDRLY-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235091902 1098793452 /nfs/dbraw/zinc/79/34/52/1098793452.db2.gz DXRPITZXOCJZRX-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CCCC[C@]34CC[NH2+]C4)CC2)cc1 ZINC001235126027 1098826839 /nfs/dbraw/zinc/82/68/39/1098826839.db2.gz RBFHLUYJTDHGSW-HXUWFJFHSA-N 2 1 313.489 3.121 20 0 DGADMP c1ccc(COCC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235151506 1098836863 /nfs/dbraw/zinc/83/68/63/1098836863.db2.gz HDBIVHSCEHEWAM-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC001235151953 1098837505 /nfs/dbraw/zinc/83/75/05/1098837505.db2.gz KIBZVVBWHOGVGS-GOSISDBHSA-N 2 1 318.461 3.058 20 0 DGADMP Oc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235153370 1098839064 /nfs/dbraw/zinc/83/90/64/1098839064.db2.gz JVGWXPRQZWBQIZ-KRWDZBQOSA-N 2 1 308.853 3.400 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(OC)c1 ZINC001235153240 1098839651 /nfs/dbraw/zinc/83/96/51/1098839651.db2.gz IVDBSVFXVWYFGE-IBGZPJMESA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(O)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235156314 1098841251 /nfs/dbraw/zinc/84/12/51/1098841251.db2.gz FYFHJJFPJMVQJL-IBGZPJMESA-N 2 1 318.461 3.145 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155759 1098841655 /nfs/dbraw/zinc/84/16/55/1098841655.db2.gz FDUOLODALFKVPO-GOSISDBHSA-N 2 1 302.462 3.358 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235159264 1098843992 /nfs/dbraw/zinc/84/39/92/1098843992.db2.gz WCJHMTPHVDDUGW-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cccc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235157867 1098844575 /nfs/dbraw/zinc/84/45/75/1098844575.db2.gz SJBPVOMEQBFUPK-KRWDZBQOSA-N 2 1 306.425 3.188 20 0 DGADMP COCc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235161667 1098847618 /nfs/dbraw/zinc/84/76/18/1098847618.db2.gz UHQABBKVWXDSRG-LJQANCHMSA-N 2 1 302.462 3.187 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)CO1 ZINC001235187629 1098865524 /nfs/dbraw/zinc/86/55/24/1098865524.db2.gz ZTSVRQAVXYCYFP-KRWDZBQOSA-N 2 1 312.457 3.162 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc1-2 ZINC001235192510 1098870225 /nfs/dbraw/zinc/87/02/25/1098870225.db2.gz CHVHPRCWMMZEEQ-IEBWSBKVSA-N 2 1 304.437 3.299 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4ccc(F)cc4F)c3)C[C@H]21 ZINC001235209585 1098879080 /nfs/dbraw/zinc/87/90/80/1098879080.db2.gz CMJVODJOGKZZBN-VQFNDLOPSA-N 2 1 300.352 3.021 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)c1O ZINC001235209637 1098879300 /nfs/dbraw/zinc/87/93/00/1098879300.db2.gz FLTGHOSITPVDSM-HALDLXJZSA-N 2 1 316.489 3.376 20 0 DGADMP CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)c1O ZINC001235209637 1098879311 /nfs/dbraw/zinc/87/93/11/1098879311.db2.gz FLTGHOSITPVDSM-HALDLXJZSA-N 2 1 316.489 3.376 20 0 DGADMP Fc1ccc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235226952 1098901556 /nfs/dbraw/zinc/90/15/56/1098901556.db2.gz CRARCURMUSWKRF-MRXNPFEDSA-N 2 1 312.379 3.458 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc3c1CCCC3)C2 ZINC001235232598 1098906659 /nfs/dbraw/zinc/90/66/59/1098906659.db2.gz VKOZXNHZQLHBNP-RDJZCZTQSA-N 2 1 324.390 3.149 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235232598 1098906664 /nfs/dbraw/zinc/90/66/64/1098906664.db2.gz VKOZXNHZQLHBNP-RDJZCZTQSA-N 2 1 324.390 3.149 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001206343957 1098909420 /nfs/dbraw/zinc/90/94/20/1098909420.db2.gz XGEBTAACQKZQTM-RDJZCZTQSA-N 2 1 324.509 3.161 20 0 DGADMP COc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(Cl)n1 ZINC001235236316 1098909587 /nfs/dbraw/zinc/90/95/87/1098909587.db2.gz DWYXOXUJWXQCNG-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178702581 1098916909 /nfs/dbraw/zinc/91/69/09/1098916909.db2.gz ROCCKIHJTGOTEZ-PLNGDYQASA-N 2 1 323.525 3.093 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001235253071 1098925327 /nfs/dbraw/zinc/92/53/27/1098925327.db2.gz BSUJTGUKPVXMIS-OTWHNJEPSA-N 2 1 320.521 3.338 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001235253071 1098925338 /nfs/dbraw/zinc/92/53/38/1098925338.db2.gz BSUJTGUKPVXMIS-OTWHNJEPSA-N 2 1 320.521 3.338 20 0 DGADMP Cc1c(Br)ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1C ZINC001235342946 1098967175 /nfs/dbraw/zinc/96/71/75/1098967175.db2.gz YFFGOYNYEQLXIN-AWEZNQCLSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265708 1098938511 /nfs/dbraw/zinc/93/85/11/1098938511.db2.gz DNCFBPYAMDJUMS-HIFRSBDPSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265708 1098938522 /nfs/dbraw/zinc/93/85/22/1098938522.db2.gz DNCFBPYAMDJUMS-HIFRSBDPSA-N 2 1 314.351 3.077 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3cccc(OCC4CCCCC4)c3)C[C@@H]12 ZINC001235284602 1098942574 /nfs/dbraw/zinc/94/25/74/1098942574.db2.gz NVBVSQNXAPQHSR-REPLKXPHSA-N 2 1 300.446 3.035 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3cccc(OCC4CCCCC4)c3)C[C@@H]12 ZINC001235284602 1098942578 /nfs/dbraw/zinc/94/25/78/1098942578.db2.gz NVBVSQNXAPQHSR-REPLKXPHSA-N 2 1 300.446 3.035 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3cc4cc(Br)ccc4s3)C[C@@H]12 ZINC001235285908 1098943861 /nfs/dbraw/zinc/94/38/61/1098943861.db2.gz WFMWTZTVFGPCTN-DABQJJPHSA-N 2 1 323.259 3.053 20 0 DGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178833081 1098946798 /nfs/dbraw/zinc/94/67/98/1098946798.db2.gz PAEFLTOJZBZVPT-PYTPGESOSA-N 2 1 323.525 3.093 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001178853425 1098953058 /nfs/dbraw/zinc/95/30/58/1098953058.db2.gz IZGDANWKUUKXSV-UHFFFAOYSA-N 2 1 313.530 3.029 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)ccc21 ZINC001235338570 1098962533 /nfs/dbraw/zinc/96/25/33/1098962533.db2.gz BGRGJQKXLQGANJ-INIZCTEOSA-N 2 1 319.452 3.373 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235340737 1098964112 /nfs/dbraw/zinc/96/41/12/1098964112.db2.gz LRXJHJWOZRCIQP-LJQANCHMSA-N 2 1 322.452 3.307 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(Cl)c1 ZINC001235340621 1098965108 /nfs/dbraw/zinc/96/51/08/1098965108.db2.gz SJCJBYANQUPLMO-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP COc1ccccc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348701 1098970367 /nfs/dbraw/zinc/97/03/67/1098970367.db2.gz JMXOEICKGQWAFR-TZIWHRDSSA-N 2 1 322.452 3.274 20 0 DGADMP COc1ccccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348701 1098970375 /nfs/dbraw/zinc/97/03/75/1098970375.db2.gz JMXOEICKGQWAFR-TZIWHRDSSA-N 2 1 322.452 3.274 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235362649 1098979998 /nfs/dbraw/zinc/97/99/98/1098979998.db2.gz HEVMZPFORKMBBI-CTNGQTDRSA-N 2 1 322.452 3.145 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235362649 1098980006 /nfs/dbraw/zinc/98/00/06/1098980006.db2.gz HEVMZPFORKMBBI-CTNGQTDRSA-N 2 1 322.452 3.145 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)o1 ZINC001235369395 1098982814 /nfs/dbraw/zinc/98/28/14/1098982814.db2.gz YNXTXMGNOPLYBJ-ICSRJNTNSA-N 2 1 310.441 3.341 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)o1 ZINC001235369395 1098982823 /nfs/dbraw/zinc/98/28/23/1098982823.db2.gz YNXTXMGNOPLYBJ-ICSRJNTNSA-N 2 1 310.441 3.341 20 0 DGADMP Nc1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235379008 1098987639 /nfs/dbraw/zinc/98/76/39/1098987639.db2.gz FOLPYGXFIBOSNO-FPOVZHCZSA-N 2 1 321.468 3.022 20 0 DGADMP Fc1cccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235379755 1098988315 /nfs/dbraw/zinc/98/83/15/1098988315.db2.gz QNYKINIJONGEHG-UXHICEINSA-N 2 1 310.416 3.405 20 0 DGADMP Fc1cccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235379755 1098988321 /nfs/dbraw/zinc/98/83/21/1098988321.db2.gz QNYKINIJONGEHG-UXHICEINSA-N 2 1 310.416 3.405 20 0 DGADMP [NH3+]C1([C@H]2C[N@@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@H]2CF)CC1 ZINC001235396425 1098993240 /nfs/dbraw/zinc/99/32/40/1098993240.db2.gz JQLKQJGNLUPRKA-YPMHNXCESA-N 2 1 321.827 3.330 20 0 DGADMP CC(C)Cc1ccc(C[N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cc1 ZINC001235398063 1098993507 /nfs/dbraw/zinc/99/35/07/1098993507.db2.gz SRNWMMSHGUFQSZ-MSOLQXFVSA-N 2 1 304.453 3.394 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001235403715 1098999053 /nfs/dbraw/zinc/99/90/53/1098999053.db2.gz LDOSULFBYBRWTA-DLBZAZTESA-N 2 1 321.827 3.345 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1C ZINC001235408258 1099003362 /nfs/dbraw/zinc/00/33/62/1099003362.db2.gz UIQMJVOQJUCJTM-RBUKOAKNSA-N 2 1 320.452 3.144 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235407450 1099003502 /nfs/dbraw/zinc/00/35/02/1099003502.db2.gz RURXAZTUNDVBAW-HKUYNNGSSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235407450 1099003513 /nfs/dbraw/zinc/00/35/13/1099003513.db2.gz RURXAZTUNDVBAW-HKUYNNGSSA-N 2 1 320.452 3.387 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001235409186 1099004030 /nfs/dbraw/zinc/00/40/30/1099004030.db2.gz VNPMMQBVMBLDQK-RTBURBONSA-N 2 1 302.437 3.478 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1csc3ccccc13)C2 ZINC001235409730 1099004627 /nfs/dbraw/zinc/00/46/27/1099004627.db2.gz WQMPFBZTMXFEEZ-DLBZAZTESA-N 2 1 304.434 3.425 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1csc3ccccc13)C2 ZINC001235409736 1099005975 /nfs/dbraw/zinc/00/59/75/1099005975.db2.gz WQMPFBZTMXFEEZ-IRXDYDNUSA-N 2 1 304.434 3.425 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409910 1099006183 /nfs/dbraw/zinc/00/61/83/1099006183.db2.gz XSBPYCDHEMGDEH-DOTOQJQBSA-N 2 1 321.827 3.345 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409910 1099006194 /nfs/dbraw/zinc/00/61/94/1099006194.db2.gz XSBPYCDHEMGDEH-DOTOQJQBSA-N 2 1 321.827 3.345 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC001235421132 1099013415 /nfs/dbraw/zinc/01/34/15/1099013415.db2.gz BEDVBQBZTPZIOR-ZWKOTPCHSA-N 2 1 317.477 3.080 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CCCO2 ZINC001235421059 1099014617 /nfs/dbraw/zinc/01/46/17/1099014617.db2.gz AVQIGXBOGKLOHY-RBUKOAKNSA-N 2 1 314.473 3.223 20 0 DGADMP CSc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC001235423849 1099015171 /nfs/dbraw/zinc/01/51/71/1099015171.db2.gz GITYEHRRIFQGOC-HOTGVXAUSA-N 2 1 319.518 3.324 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425131 1099015430 /nfs/dbraw/zinc/01/54/30/1099015430.db2.gz IIZXCCFTJHEFDB-FUHWJXTLSA-N 2 1 302.462 3.215 20 0 DGADMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC001235426215 1099018443 /nfs/dbraw/zinc/01/84/43/1099018443.db2.gz JLGYWLKHHCQBQA-CABCVRRESA-N 2 1 307.507 3.026 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426692 1099019322 /nfs/dbraw/zinc/01/93/22/1099019322.db2.gz QCMZPBBGQJULDS-QZTJIDSGSA-N 2 1 324.509 3.212 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ncc1Cl ZINC001235428164 1099022201 /nfs/dbraw/zinc/02/22/01/1099022201.db2.gz PFAUIHJINFIESX-CABCVRRESA-N 2 1 307.869 3.255 20 0 DGADMP CCCOc1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429644 1099022299 /nfs/dbraw/zinc/02/22/99/1099022299.db2.gz UVJVAXOOORJBJN-DLBZAZTESA-N 2 1 317.477 3.082 20 0 DGADMP c1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235428366 1099022836 /nfs/dbraw/zinc/02/28/36/1099022836.db2.gz VDVNACGSMHGULX-MSOLQXFVSA-N 2 1 309.457 3.446 20 0 DGADMP COc1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235430077 1099023390 /nfs/dbraw/zinc/02/33/90/1099023390.db2.gz CWKBDNDHDBRXLG-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP Cn1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2ccccc21 ZINC001235430363 1099024640 /nfs/dbraw/zinc/02/46/40/1099024640.db2.gz SGKAEJMGZUQYAI-QZTJIDSGSA-N 2 1 311.473 3.390 20 0 DGADMP CCCCOc1ncc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1C ZINC001235431792 1099028778 /nfs/dbraw/zinc/02/87/78/1099028778.db2.gz COSVFEBFKAPOQG-UHFFFAOYSA-N 2 1 305.466 3.000 20 0 DGADMP C[N@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)CC1CC[NH2+]CC1 ZINC001235433036 1099031857 /nfs/dbraw/zinc/03/18/57/1099031857.db2.gz FEIUYEDALOFNGT-UHFFFAOYSA-N 2 1 322.321 3.415 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433805 1099031987 /nfs/dbraw/zinc/03/19/87/1099031987.db2.gz RFFHSNUHLAZXSN-UHFFFAOYSA-N 2 1 316.367 3.145 20 0 DGADMP CC(C)Oc1ccc(Br)cc1C[N@H+](C)CCC[NH3+] ZINC001235435377 1099033318 /nfs/dbraw/zinc/03/33/18/1099033318.db2.gz LXTWUODXLRZVJD-UHFFFAOYSA-N 2 1 315.255 3.017 20 0 DGADMP CC(C)Oc1ccc(Br)cc1C[N@@H+](C)CCC[NH3+] ZINC001235435377 1099033330 /nfs/dbraw/zinc/03/33/30/1099033330.db2.gz LXTWUODXLRZVJD-UHFFFAOYSA-N 2 1 315.255 3.017 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4cnc(Cl)cc34)C2)CC1 ZINC001235513617 1099068823 /nfs/dbraw/zinc/06/88/23/1099068823.db2.gz BDAMCTKDVLITDV-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C[C@@H](C)O)C[C@H]2CC1 ZINC001277959472 1099109423 /nfs/dbraw/zinc/10/94/23/1099109423.db2.gz SOFVRUFABFRNOT-HCXYKTFWSA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC001277959472 1099109427 /nfs/dbraw/zinc/10/94/27/1099109427.db2.gz SOFVRUFABFRNOT-HCXYKTFWSA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC001277959472 1099109429 /nfs/dbraw/zinc/10/94/29/1099109429.db2.gz SOFVRUFABFRNOT-HCXYKTFWSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1Cl ZINC001235662860 1099110809 /nfs/dbraw/zinc/11/08/09/1099110809.db2.gz BAIAQDKIKQAJDB-DGCLKSJQSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccccc1Cl ZINC001235662860 1099110810 /nfs/dbraw/zinc/11/08/10/1099110810.db2.gz BAIAQDKIKQAJDB-DGCLKSJQSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235672708 1099116000 /nfs/dbraw/zinc/11/60/00/1099116000.db2.gz FPDNNDIIKNCSCA-BPQIPLTHSA-N 2 1 322.443 3.432 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235672708 1099116005 /nfs/dbraw/zinc/11/60/05/1099116005.db2.gz FPDNNDIIKNCSCA-BPQIPLTHSA-N 2 1 322.443 3.432 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)CO1 ZINC001235672368 1099116142 /nfs/dbraw/zinc/11/61/42/1099116142.db2.gz BRWXUFLINITPMB-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H](Cc3ccccc3)C2)CO1 ZINC001235672368 1099116144 /nfs/dbraw/zinc/11/61/44/1099116144.db2.gz BRWXUFLINITPMB-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](CCC3C[NH2+]C3)C2)c1 ZINC001235675735 1099117607 /nfs/dbraw/zinc/11/76/07/1099117607.db2.gz SABCAOXEPGWZCD-OAHLLOKOSA-N 2 1 308.853 3.101 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(c3ccc(F)cc3)CC2)CO1 ZINC001235675588 1099117730 /nfs/dbraw/zinc/11/77/30/1099117730.db2.gz ZJQWRBRQCWDSMJ-KRWDZBQOSA-N 2 1 306.425 3.120 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001235689510 1099128636 /nfs/dbraw/zinc/12/86/36/1099128636.db2.gz ZXPBLTRGLFAGFG-IBGZPJMESA-N 2 1 302.462 3.228 20 0 DGADMP CCC[C@@H]1CCCC[N@H+]1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235693902 1099133023 /nfs/dbraw/zinc/13/30/23/1099133023.db2.gz JIVGPZGAYKTZGA-HXUWFJFHSA-N 2 1 315.505 3.246 20 0 DGADMP Fc1ccc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1F ZINC001235701948 1099136301 /nfs/dbraw/zinc/13/63/01/1099136301.db2.gz OYDHKPFTLIFKEG-UHFFFAOYSA-N 2 1 312.379 3.316 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(OCC)c1 ZINC001235716715 1099143637 /nfs/dbraw/zinc/14/36/37/1099143637.db2.gz HRBDTCIJTDEFIP-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580231 1099150605 /nfs/dbraw/zinc/15/06/05/1099150605.db2.gz ADXWSNHFWBCMJZ-WRFKIARRSA-N 2 1 323.525 3.093 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001235748897 1099163682 /nfs/dbraw/zinc/16/36/82/1099163682.db2.gz FBFIGZQLAALNQN-CQSZACIVSA-N 2 1 302.368 3.412 20 0 DGADMP c1cc(S[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)ccn1 ZINC001235750306 1099164125 /nfs/dbraw/zinc/16/41/25/1099164125.db2.gz OWGWVEBNSCKLCD-WBVHZDCISA-N 2 1 305.491 3.170 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001235750620 1099164198 /nfs/dbraw/zinc/16/41/98/1099164198.db2.gz QBBFYISPRQZGDM-SFHVURJKSA-N 2 1 310.441 3.355 20 0 DGADMP CC[N@H+](Cc1cccn1-c1ccccc1F)C1CC[NH2+]CC1 ZINC001235760788 1099168376 /nfs/dbraw/zinc/16/83/76/1099168376.db2.gz KROOWNDAKRFAES-UHFFFAOYSA-N 2 1 301.409 3.190 20 0 DGADMP CC[N@@H+](Cc1cccn1-c1ccccc1F)C1CC[NH2+]CC1 ZINC001235760788 1099168384 /nfs/dbraw/zinc/16/83/84/1099168384.db2.gz KROOWNDAKRFAES-UHFFFAOYSA-N 2 1 301.409 3.190 20 0 DGADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)CCC1C[NH2+]C1 ZINC001235795345 1099183833 /nfs/dbraw/zinc/18/38/33/1099183833.db2.gz KFKMIJSRDFYHKF-UHFFFAOYSA-N 2 1 324.468 3.334 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839227 1099202149 /nfs/dbraw/zinc/20/21/49/1099202149.db2.gz OFMCDORCNBRQKP-DOMZBBRYSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839227 1099202158 /nfs/dbraw/zinc/20/21/58/1099202158.db2.gz OFMCDORCNBRQKP-DOMZBBRYSA-N 2 1 316.823 3.305 20 0 DGADMP CCCCc1nc(Cl)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)[nH]1 ZINC001235883709 1099231776 /nfs/dbraw/zinc/23/17/76/1099231776.db2.gz KTEXWZBZKKAYID-CQSZACIVSA-N 2 1 324.900 3.370 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCC[C@H]2CC[NH3+])CC1 ZINC001235925582 1099260901 /nfs/dbraw/zinc/26/09/01/1099260901.db2.gz WGXBPSOEGUHTDT-MSOLQXFVSA-N 2 1 308.510 3.467 20 0 DGADMP Clc1ccc(CCC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235928635 1099264888 /nfs/dbraw/zinc/26/48/88/1099264888.db2.gz BMSVEHNEKUOPAY-KGLIPLIRSA-N 2 1 313.272 3.467 20 0 DGADMP c1ccc(C(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC001235929750 1099265511 /nfs/dbraw/zinc/26/55/11/1099265511.db2.gz RVKPEEBXQOYJIO-VQTJNVASSA-N 2 1 306.453 3.360 20 0 DGADMP OCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203187584 1099266225 /nfs/dbraw/zinc/26/62/25/1099266225.db2.gz BOTNSRMAUPFDEY-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP Fc1cccc([C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)c1 ZINC001235933588 1099268015 /nfs/dbraw/zinc/26/80/15/1099268015.db2.gz GNQWAOYRWIUAIW-QGZVFWFLSA-N 2 1 302.437 3.395 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C)c1OC(C)C ZINC001235935469 1099270841 /nfs/dbraw/zinc/27/08/41/1099270841.db2.gz CQHBIIGPRFAQOC-ZWKOTPCHSA-N 2 1 302.462 3.132 20 0 DGADMP COCCC[N@@H+](Cc1ccccc1C(C)C)C1CC[NH2+]CC1 ZINC001235936609 1099271472 /nfs/dbraw/zinc/27/14/72/1099271472.db2.gz DLIAYHVUHQCEOA-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP COCCC[N@@H+](Cc1cc(C)c(C)cc1C)C1CC[NH2+]CC1 ZINC001235937340 1099272115 /nfs/dbraw/zinc/27/21/15/1099272115.db2.gz KXFPLBNTOALQEZ-UHFFFAOYSA-N 2 1 304.478 3.202 20 0 DGADMP COCCC[N@@H+](Cc1ccc(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001235938504 1099273032 /nfs/dbraw/zinc/27/30/32/1099273032.db2.gz WYISPOHWZYRJJM-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCCC[N@@H+](Cc1ccc2ccsc2c1)C1CC[NH2+]CC1 ZINC001235940654 1099275117 /nfs/dbraw/zinc/27/51/17/1099275117.db2.gz WQEIBOMBCGZKFP-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CCCCc1ccc(C[N@H+](CCOC)C2CC[NH2+]CC2)s1 ZINC001235944438 1099278322 /nfs/dbraw/zinc/27/83/22/1099278322.db2.gz NWFRGIPZFNENTM-UHFFFAOYSA-N 2 1 310.507 3.291 20 0 DGADMP CCCCc1ccc(C[N@@H+](CCOC)C2CC[NH2+]CC2)s1 ZINC001235944438 1099278326 /nfs/dbraw/zinc/27/83/26/1099278326.db2.gz NWFRGIPZFNENTM-UHFFFAOYSA-N 2 1 310.507 3.291 20 0 DGADMP COCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235947094 1099278471 /nfs/dbraw/zinc/27/84/71/1099278471.db2.gz VQWIJRSOZFTVKA-UHFFFAOYSA-N 2 1 317.260 3.194 20 0 DGADMP COCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235947094 1099278476 /nfs/dbraw/zinc/27/84/76/1099278476.db2.gz VQWIJRSOZFTVKA-UHFFFAOYSA-N 2 1 317.260 3.194 20 0 DGADMP C[C@@H]([NH3+])CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947775 1099280533 /nfs/dbraw/zinc/28/05/33/1099280533.db2.gz FUCFKTVEZRQNJB-NQIIRXRSSA-N 2 1 323.484 3.110 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949315 1099283095 /nfs/dbraw/zinc/28/30/95/1099283095.db2.gz DOGLVQRQUFWTFK-INWMFGNUSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949315 1099283100 /nfs/dbraw/zinc/28/31/00/1099283100.db2.gz DOGLVQRQUFWTFK-INWMFGNUSA-N 2 1 312.379 3.106 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+](C)C[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001235956479 1099287276 /nfs/dbraw/zinc/28/72/76/1099287276.db2.gz DXXKJWVRXFRJIA-KRWDZBQOSA-N 2 1 311.473 3.337 20 0 DGADMP C[N@@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@H]1CCC[NH2+]C1 ZINC001235957478 1099289724 /nfs/dbraw/zinc/28/97/24/1099289724.db2.gz PPJIRPYOZSSXSO-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP C[N@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@H]1CCC[NH2+]C1 ZINC001235957478 1099289732 /nfs/dbraw/zinc/28/97/32/1099289732.db2.gz PPJIRPYOZSSXSO-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235957298 1099290010 /nfs/dbraw/zinc/29/00/10/1099290010.db2.gz MIIWIPRAMXHVEG-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C)c1OC(C)C ZINC001235959051 1099291214 /nfs/dbraw/zinc/29/12/14/1099291214.db2.gz QNXXAXLWFFEBFT-BCDXTJNWSA-N 2 1 302.462 3.260 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)c1 ZINC001235959481 1099292629 /nfs/dbraw/zinc/29/26/29/1099292629.db2.gz VKLKFAGONGOOTQ-HXUWFJFHSA-N 2 1 310.441 3.327 20 0 DGADMP CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235963812 1099295807 /nfs/dbraw/zinc/29/58/07/1099295807.db2.gz TXIJSYNTBLXOCC-UHFFFAOYSA-N 2 1 322.452 3.426 20 0 DGADMP CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235963812 1099295815 /nfs/dbraw/zinc/29/58/15/1099295815.db2.gz TXIJSYNTBLXOCC-UHFFFAOYSA-N 2 1 322.452 3.426 20 0 DGADMP C[N@@H+](C/C=C/c1ccccc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235963897 1099296047 /nfs/dbraw/zinc/29/60/47/1099296047.db2.gz XUMUAQJUQPEHQF-UXBLZVDNSA-N 2 1 321.468 3.241 20 0 DGADMP C[C@]1(c2ccc(Cl)cc2)C[N@@H+](CCCCCC[NH3+])CCO1 ZINC001235967948 1099298571 /nfs/dbraw/zinc/29/85/71/1099298571.db2.gz BYYYIBZMKUGTCJ-QGZVFWFLSA-N 2 1 310.869 3.407 20 0 DGADMP COc1cccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235972821 1099301354 /nfs/dbraw/zinc/30/13/54/1099301354.db2.gz CHKLLDXDNZMMJP-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973752 1099303608 /nfs/dbraw/zinc/30/36/08/1099303608.db2.gz JXWFNKYQJGJFOR-YQVWRLOYSA-N 2 1 308.469 3.336 20 0 DGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001180123259 1099322311 /nfs/dbraw/zinc/32/23/11/1099322311.db2.gz DCLAPVLYHOCFRR-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)cc1 ZINC001235999154 1099322211 /nfs/dbraw/zinc/32/22/11/1099322211.db2.gz XGECOUSERSFLFW-WCRBZPEASA-N 2 1 322.452 3.068 20 0 DGADMP Fc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1C(F)(F)F ZINC001236009918 1099332397 /nfs/dbraw/zinc/33/23/97/1099332397.db2.gz ZNPOJBQRLFNWOE-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](Cc2ccc4c(c2)CCC4)C3)cc1 ZINC001236012763 1099336086 /nfs/dbraw/zinc/33/60/86/1099336086.db2.gz QCPSDWJMTQCVMQ-YADHBBJMSA-N 2 1 318.464 3.148 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001236069205 1099368341 /nfs/dbraw/zinc/36/83/41/1099368341.db2.gz XLEYULQLUSEJJI-MRXNPFEDSA-N 2 1 320.477 3.302 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001236069205 1099368361 /nfs/dbraw/zinc/36/83/61/1099368361.db2.gz XLEYULQLUSEJJI-MRXNPFEDSA-N 2 1 320.477 3.302 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236079533 1099374946 /nfs/dbraw/zinc/37/49/46/1099374946.db2.gz NXRKWMUPOIANHR-LJQANCHMSA-N 2 1 323.484 3.003 20 0 DGADMP Clc1cccc2c1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CC2 ZINC001236079805 1099375441 /nfs/dbraw/zinc/37/54/41/1099375441.db2.gz YUSFFFHALRXTRI-UHFFFAOYSA-N 2 1 304.865 3.478 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001236094844 1099384121 /nfs/dbraw/zinc/38/41/21/1099384121.db2.gz XKFVGWMGRDXXHH-KRWDZBQOSA-N 2 1 324.509 3.495 20 0 DGADMP COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@H](C)[NH3+])cc1 ZINC001236106182 1099394700 /nfs/dbraw/zinc/39/47/00/1099394700.db2.gz BJOQTNVVNBMCEM-IRXDYDNUSA-N 2 1 312.457 3.476 20 0 DGADMP C[N@H+](CCCC[NH3+])Cc1c(F)c(Cl)ccc1Br ZINC001236141840 1099428336 /nfs/dbraw/zinc/42/83/36/1099428336.db2.gz MSBHLRUOFURQAQ-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1c(F)c(Cl)ccc1Br ZINC001236141840 1099428340 /nfs/dbraw/zinc/42/83/40/1099428340.db2.gz MSBHLRUOFURQAQ-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP c1cc2n(c1C[N@H+]1CCC[C@H]1c1c[nH]c3ccccc31)CC[NH2+]C2 ZINC001236192203 1099457801 /nfs/dbraw/zinc/45/78/01/1099457801.db2.gz OKXPGKAUVADMCR-FQEVSTJZSA-N 2 1 320.440 3.410 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(OC(F)F)cc2F)CC1 ZINC001236214797 1099470144 /nfs/dbraw/zinc/47/01/44/1099470144.db2.gz HBBFDTPANOYXMI-UHFFFAOYSA-N 2 1 316.367 3.390 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219669 1099477518 /nfs/dbraw/zinc/47/75/18/1099477518.db2.gz XHVIFAPJCKTDNR-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219669 1099477524 /nfs/dbraw/zinc/47/75/24/1099477524.db2.gz XHVIFAPJCKTDNR-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1(C)CC[NH2+]CC1 ZINC001236225086 1099481370 /nfs/dbraw/zinc/48/13/70/1099481370.db2.gz ZPNJKHNOJOGHRK-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1(C)CC[NH2+]CC1 ZINC001236225086 1099481379 /nfs/dbraw/zinc/48/13/79/1099481379.db2.gz ZPNJKHNOJOGHRK-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001180646260 1099481853 /nfs/dbraw/zinc/48/18/53/1099481853.db2.gz ISDIBHOOYLXWIB-MMNRESRNSA-N 2 1 300.446 3.287 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001180646260 1099481864 /nfs/dbraw/zinc/48/18/64/1099481864.db2.gz ISDIBHOOYLXWIB-MMNRESRNSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@H+](Cc1cc(F)cc(Br)c1)C1(C)CC[NH2+]CC1 ZINC001236226419 1099483272 /nfs/dbraw/zinc/48/32/72/1099483272.db2.gz LCHQYFUHKLPRTE-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C1(C)CC[NH2+]CC1 ZINC001236226419 1099483277 /nfs/dbraw/zinc/48/32/77/1099483277.db2.gz LCHQYFUHKLPRTE-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCCC[NH3+] ZINC001236236614 1099490277 /nfs/dbraw/zinc/49/02/77/1099490277.db2.gz KHYCRCWQTSUHAT-IKGGRYGDSA-N 2 1 324.509 3.480 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001236240590 1099493330 /nfs/dbraw/zinc/49/33/30/1099493330.db2.gz NIMWGTVBDBYDQO-FQEVSTJZSA-N 3 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001236240590 1099493336 /nfs/dbraw/zinc/49/33/36/1099493336.db2.gz NIMWGTVBDBYDQO-FQEVSTJZSA-N 3 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001236240590 1099493337 /nfs/dbraw/zinc/49/33/37/1099493337.db2.gz NIMWGTVBDBYDQO-FQEVSTJZSA-N 3 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001236240590 1099493343 /nfs/dbraw/zinc/49/33/43/1099493343.db2.gz NIMWGTVBDBYDQO-FQEVSTJZSA-N 2 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001236240590 1099493350 /nfs/dbraw/zinc/49/33/50/1099493350.db2.gz NIMWGTVBDBYDQO-FQEVSTJZSA-N 2 1 315.505 3.104 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1cccc(F)c1F ZINC001236241727 1099497692 /nfs/dbraw/zinc/49/76/92/1099497692.db2.gz VAFBSWOWMIUMBN-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1cccc(F)c1F ZINC001236241727 1099497698 /nfs/dbraw/zinc/49/76/98/1099497698.db2.gz VAFBSWOWMIUMBN-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001236250125 1099501263 /nfs/dbraw/zinc/50/12/63/1099501263.db2.gz DMWHIZOWVRDAIB-OAHLLOKOSA-N 2 1 319.811 3.464 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001236250125 1099501273 /nfs/dbraw/zinc/50/12/73/1099501273.db2.gz DMWHIZOWVRDAIB-OAHLLOKOSA-N 2 1 319.811 3.464 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269148 1099509760 /nfs/dbraw/zinc/50/97/60/1099509760.db2.gz FZCCIAHBBZVLSA-SFHVURJKSA-N 2 1 320.440 3.317 20 0 DGADMP COc1cccc(CC[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236288010 1099518412 /nfs/dbraw/zinc/51/84/12/1099518412.db2.gz VIVHMPXTMKHPLW-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001236308480 1099526433 /nfs/dbraw/zinc/52/64/33/1099526433.db2.gz RJAXYYSVCQTVLJ-SUMWQHHRSA-N 2 1 324.415 3.062 20 0 DGADMP Fc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001236314321 1099529421 /nfs/dbraw/zinc/52/94/21/1099529421.db2.gz AVVVZSNPZMBRNN-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315585 1099530506 /nfs/dbraw/zinc/53/05/06/1099530506.db2.gz LQTTZAUJSQPKLT-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP Clc1nc2ccsc2cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320138 1099533685 /nfs/dbraw/zinc/53/36/85/1099533685.db2.gz DCHRAVALTUSHPL-TXEJJXNPSA-N 2 1 321.877 3.381 20 0 DGADMP CCCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC001236323222 1099538251 /nfs/dbraw/zinc/53/82/51/1099538251.db2.gz YVAPZFJSUOMPTH-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1COC2 ZINC001236373648 1099558315 /nfs/dbraw/zinc/55/83/15/1099558315.db2.gz ITVUESKJIUPCFS-KRWDZBQOSA-N 2 1 314.473 3.461 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c1)CCO2 ZINC001236374190 1099561244 /nfs/dbraw/zinc/56/12/44/1099561244.db2.gz BFSLYJKQRNDRFW-INIZCTEOSA-N 2 1 314.473 3.366 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373808 1099561614 /nfs/dbraw/zinc/56/16/14/1099561614.db2.gz LLNQTZDIOHLKFT-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc2c(c1)[nH]nc2C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373808 1099561624 /nfs/dbraw/zinc/56/16/24/1099561624.db2.gz LLNQTZDIOHLKFT-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc2c(c1)[nH]nc2C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373808 1099561634 /nfs/dbraw/zinc/56/16/34/1099561634.db2.gz LLNQTZDIOHLKFT-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP CCC1(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)COC1 ZINC001236382632 1099566051 /nfs/dbraw/zinc/56/60/51/1099566051.db2.gz OWRHSBCMZMWPIW-UHFFFAOYSA-N 2 1 320.452 3.054 20 0 DGADMP CC[N@H+](Cc1ccc(C)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236408994 1099582291 /nfs/dbraw/zinc/58/22/91/1099582291.db2.gz QWNCQGVUGAZKEI-AWEZNQCLSA-N 2 1 311.267 3.189 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)c1 ZINC001236410654 1099583586 /nfs/dbraw/zinc/58/35/86/1099583586.db2.gz ICRWLBFYDYCEFC-SFHVURJKSA-N 2 1 314.473 3.264 20 0 DGADMP COc1ccc(Oc2cccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236411957 1099585226 /nfs/dbraw/zinc/58/52/26/1099585226.db2.gz HZSUFWQDRCKZMS-PMOLBWCYSA-N 2 1 324.424 3.137 20 0 DGADMP COc1ccc(Oc2cccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236411957 1099585234 /nfs/dbraw/zinc/58/52/34/1099585234.db2.gz HZSUFWQDRCKZMS-PMOLBWCYSA-N 2 1 324.424 3.137 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)c1 ZINC001236412272 1099585525 /nfs/dbraw/zinc/58/55/25/1099585525.db2.gz SQJBMQUXTUCHKC-FQEVSTJZSA-N 2 1 322.452 3.330 20 0 DGADMP C[N@H+](Cc1cccc(OCC2CCCCC2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413920 1099587973 /nfs/dbraw/zinc/58/79/73/1099587973.db2.gz PQLGFSQLGQAEGP-PMOLBWCYSA-N 2 1 314.473 3.295 20 0 DGADMP C[N@@H+](Cc1cccc(OCC2CCCCC2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413920 1099587986 /nfs/dbraw/zinc/58/79/86/1099587986.db2.gz PQLGFSQLGQAEGP-PMOLBWCYSA-N 2 1 314.473 3.295 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413121 1099588144 /nfs/dbraw/zinc/58/81/44/1099588144.db2.gz CIJUZBCWUJWCRQ-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413121 1099588156 /nfs/dbraw/zinc/58/81/56/1099588156.db2.gz CIJUZBCWUJWCRQ-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001236417081 1099590525 /nfs/dbraw/zinc/59/05/25/1099590525.db2.gz XADPSEJXXWKOQN-UHFFFAOYSA-N 2 1 315.505 3.104 20 0 DGADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001236424166 1099599588 /nfs/dbraw/zinc/59/95/88/1099599588.db2.gz SBCQPSWWQVENNZ-AEFFLSMTSA-N 2 1 302.462 3.360 20 0 DGADMP CC[C@@H](C)C[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236465542 1099626203 /nfs/dbraw/zinc/62/62/03/1099626203.db2.gz QVTHZHCJLLNERU-OAHLLOKOSA-N 2 1 318.461 3.073 20 0 DGADMP CC(C)C[N@H+](Cc1cccc(-c2ncccn2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477797 1099635093 /nfs/dbraw/zinc/63/50/93/1099635093.db2.gz NHIRIMRFPRBIMQ-LJQANCHMSA-N 2 1 324.472 3.354 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc(-c2ncccn2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477797 1099635095 /nfs/dbraw/zinc/63/50/95/1099635095.db2.gz NHIRIMRFPRBIMQ-LJQANCHMSA-N 2 1 324.472 3.354 20 0 DGADMP CSCCC[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236516749 1099656476 /nfs/dbraw/zinc/65/64/76/1099656476.db2.gz IAOWIUDEJKHTOY-UHFFFAOYSA-N 2 1 310.482 3.441 20 0 DGADMP CC(C)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001236529442 1099665105 /nfs/dbraw/zinc/66/51/05/1099665105.db2.gz YXFLSKQLMGQVJQ-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236533812 1099669352 /nfs/dbraw/zinc/66/93/52/1099669352.db2.gz HWUARVREHCTKEU-IYARVYRRSA-N 3 1 321.484 3.417 20 0 DGADMP COc1ncc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236542188 1099672488 /nfs/dbraw/zinc/67/24/88/1099672488.db2.gz OZMVTZJBSGOTKX-IYARVYRRSA-N 2 1 317.477 3.271 20 0 DGADMP Cc1ccccc1C[N@@H+](CCCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554465 1099676936 /nfs/dbraw/zinc/67/69/36/1099676936.db2.gz GJLAACGNKPLFEA-WGSAOQKQSA-N 2 1 304.478 3.230 20 0 DGADMP CN1CCC[C@H](C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566238 1099680113 /nfs/dbraw/zinc/68/01/13/1099680113.db2.gz UFTQWKSHWHOGKP-LNLFQRSKSA-N 2 1 307.526 3.233 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566238 1099680117 /nfs/dbraw/zinc/68/01/17/1099680117.db2.gz UFTQWKSHWHOGKP-LNLFQRSKSA-N 3 1 307.526 3.233 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566238 1099680123 /nfs/dbraw/zinc/68/01/23/1099680123.db2.gz UFTQWKSHWHOGKP-LNLFQRSKSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566238 1099680127 /nfs/dbraw/zinc/68/01/27/1099680127.db2.gz UFTQWKSHWHOGKP-LNLFQRSKSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566238 1099680132 /nfs/dbraw/zinc/68/01/32/1099680132.db2.gz UFTQWKSHWHOGKP-LNLFQRSKSA-N 3 1 307.526 3.233 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236602199 1099697410 /nfs/dbraw/zinc/69/74/10/1099697410.db2.gz VXQZWVKDAKEGDQ-INIZCTEOSA-N 2 1 317.477 3.141 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236602199 1099697416 /nfs/dbraw/zinc/69/74/16/1099697416.db2.gz VXQZWVKDAKEGDQ-INIZCTEOSA-N 2 1 317.477 3.141 20 0 DGADMP Fc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c2[nH]ccc21 ZINC001236605458 1099701033 /nfs/dbraw/zinc/70/10/33/1099701033.db2.gz NQUMVSUAHSRLBK-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP CCOc1cc(C)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236606798 1099701767 /nfs/dbraw/zinc/70/17/67/1099701767.db2.gz VQLJSHHLMFIBBA-MRXNPFEDSA-N 2 1 302.462 3.358 20 0 DGADMP CCOc1cc(C)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236606798 1099701772 /nfs/dbraw/zinc/70/17/72/1099701772.db2.gz VQLJSHHLMFIBBA-MRXNPFEDSA-N 2 1 302.462 3.358 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CC[C@H]1C[NH2+]CCO1 ZINC001236661229 1099729536 /nfs/dbraw/zinc/72/95/36/1099729536.db2.gz ABIDOXYETPVYTF-UXHICEINSA-N 2 1 318.505 3.488 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3cc4ccccc4cc3OC)C[C@H]2C1 ZINC001236682776 1099740337 /nfs/dbraw/zinc/74/03/37/1099740337.db2.gz PKGUWMSTBVYTGQ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4cc3OC)C[C@@H]2C1 ZINC001236682776 1099740344 /nfs/dbraw/zinc/74/03/44/1099740344.db2.gz PKGUWMSTBVYTGQ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4cc3OC)C[C@@H]2C1 ZINC001236682776 1099740354 /nfs/dbraw/zinc/74/03/54/1099740354.db2.gz PKGUWMSTBVYTGQ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3OC)C[C@@H]2C1 ZINC001236682776 1099740363 /nfs/dbraw/zinc/74/03/63/1099740363.db2.gz PKGUWMSTBVYTGQ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccccc4cc3OC)C[C@@H]2C1 ZINC001236682776 1099740371 /nfs/dbraw/zinc/74/03/71/1099740371.db2.gz PKGUWMSTBVYTGQ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP Nc1cnccc1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236758939 1099771093 /nfs/dbraw/zinc/77/10/93/1099771093.db2.gz OYBUXNUFFULDOL-IYARVYRRSA-N 2 1 316.493 3.316 20 0 DGADMP CC(C)(C)C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768712 1099776684 /nfs/dbraw/zinc/77/66/84/1099776684.db2.gz PCCPTKJUFSAELS-IYARVYRRSA-N 3 1 309.542 3.480 20 0 DGADMP CC(C)(C)C[N@H+](CCCN1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768712 1099776695 /nfs/dbraw/zinc/77/66/95/1099776695.db2.gz PCCPTKJUFSAELS-IYARVYRRSA-N 2 1 309.542 3.480 20 0 DGADMP CC(C)(C)C[N@@H+](CCCN1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768712 1099776707 /nfs/dbraw/zinc/77/67/07/1099776707.db2.gz PCCPTKJUFSAELS-IYARVYRRSA-N 2 1 309.542 3.480 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc(C[NH3+])c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780937 1099780007 /nfs/dbraw/zinc/78/00/07/1099780007.db2.gz YBPDDUNKXSVJRO-IYARVYRRSA-N 3 1 303.494 3.263 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236818201 1099805499 /nfs/dbraw/zinc/80/54/99/1099805499.db2.gz GVDZHHGHVYCWEP-WDYCEAGBSA-N 2 1 310.441 3.408 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236817228 1099806535 /nfs/dbraw/zinc/80/65/35/1099806535.db2.gz AKODBMBVAAAZNN-QEJZJMRPSA-N 2 1 314.351 3.063 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)cc1Br ZINC001236825761 1099810853 /nfs/dbraw/zinc/81/08/53/1099810853.db2.gz AIQRIMMFBIWPIR-JGGQBBKZSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)cc1Br ZINC001236825761 1099810869 /nfs/dbraw/zinc/81/08/69/1099810869.db2.gz AIQRIMMFBIWPIR-JGGQBBKZSA-N 2 1 323.278 3.235 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]12 ZINC001236826784 1099811325 /nfs/dbraw/zinc/81/13/25/1099811325.db2.gz CVSQEOFERRPGFD-MAODMQOUSA-N 2 1 304.437 3.427 20 0 DGADMP CCC[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236834842 1099819097 /nfs/dbraw/zinc/81/90/97/1099819097.db2.gz ISRQWWKUZFJWGG-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+](Cc1cn(C)c2ccc(OC)cc12)C[C@@H]1CC[NH2+]C1 ZINC001236833476 1099821566 /nfs/dbraw/zinc/82/15/66/1099821566.db2.gz BYQZBVDXMJXTAG-OAHLLOKOSA-N 2 1 315.461 3.008 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001278022474 1099847153 /nfs/dbraw/zinc/84/71/53/1099847153.db2.gz VMXCBFNWRZZRPE-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001278022474 1099847159 /nfs/dbraw/zinc/84/71/59/1099847159.db2.gz VMXCBFNWRZZRPE-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001278022474 1099847166 /nfs/dbraw/zinc/84/71/66/1099847166.db2.gz VMXCBFNWRZZRPE-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H](C)CC ZINC001236886271 1099850937 /nfs/dbraw/zinc/85/09/37/1099850937.db2.gz AWHYOAMLCJNFAD-KRWDZBQOSA-N 2 1 303.494 3.449 20 0 DGADMP C[N@@H+](Cc1ccsc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236889289 1099853834 /nfs/dbraw/zinc/85/38/34/1099853834.db2.gz HEKIJYBBKONCIL-UHFFFAOYSA-N 2 1 315.486 3.132 20 0 DGADMP C[N@@H+](Cc1cccs1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236897997 1099860196 /nfs/dbraw/zinc/86/01/96/1099860196.db2.gz IEQMKFGUIHCZCB-UHFFFAOYSA-N 2 1 315.486 3.132 20 0 DGADMP C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001236901888 1099863182 /nfs/dbraw/zinc/86/31/82/1099863182.db2.gz CGOQFGHJZSYTKC-QGZVFWFLSA-N 2 1 319.836 3.263 20 0 DGADMP C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001236914100 1099872462 /nfs/dbraw/zinc/87/24/62/1099872462.db2.gz QEIODGRLJLNEAA-KBPBESRZSA-N 2 1 319.836 3.119 20 0 DGADMP CCC[N@@H+](CCOC)Cc1ccc(-n2ccnc2)cc1Cl ZINC001236913260 1099874010 /nfs/dbraw/zinc/87/40/10/1099874010.db2.gz JSYJBPXUTZPYBV-UHFFFAOYSA-N 2 1 307.825 3.384 20 0 DGADMP FC1(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC001236950261 1099889036 /nfs/dbraw/zinc/88/90/36/1099889036.db2.gz KNZDUKLCKNZXTR-SFHVURJKSA-N 2 1 304.453 3.423 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001236951671 1099889512 /nfs/dbraw/zinc/88/95/12/1099889512.db2.gz ZICLCFGOIDOSSY-IBGZPJMESA-N 2 1 312.388 3.082 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC001236962986 1099893723 /nfs/dbraw/zinc/89/37/23/1099893723.db2.gz GZPXJAAMQMTACE-HZPDHXFCSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC001236962986 1099893728 /nfs/dbraw/zinc/89/37/28/1099893728.db2.gz GZPXJAAMQMTACE-HZPDHXFCSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236971600 1099895935 /nfs/dbraw/zinc/89/59/35/1099895935.db2.gz HOPYXQSZTJVUBR-HZPDHXFCSA-N 2 1 319.468 3.055 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001237056375 1099947504 /nfs/dbraw/zinc/94/75/04/1099947504.db2.gz IPQUFZHQGBVFHY-OAHLLOKOSA-N 2 1 300.368 3.309 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001237056375 1099947512 /nfs/dbraw/zinc/94/75/12/1099947512.db2.gz IPQUFZHQGBVFHY-OAHLLOKOSA-N 2 1 300.368 3.309 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001237056031 1099948399 /nfs/dbraw/zinc/94/83/99/1099948399.db2.gz FQLVQZZGIVTAGV-HNNXBMFYSA-N 2 1 316.367 3.454 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001237059860 1099950506 /nfs/dbraw/zinc/95/05/06/1099950506.db2.gz WKPWVBUIQATRHR-CQSZACIVSA-N 2 1 302.340 3.146 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237080122 1099959585 /nfs/dbraw/zinc/95/95/85/1099959585.db2.gz CURZYSQWSWULBK-OAHLLOKOSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237080122 1099959592 /nfs/dbraw/zinc/95/95/92/1099959592.db2.gz CURZYSQWSWULBK-OAHLLOKOSA-N 2 1 311.267 3.318 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(CC[NH+]3CCCC3)C2)C1 ZINC001278056384 1099983638 /nfs/dbraw/zinc/98/36/38/1099983638.db2.gz YYYQVNCVYMJBNC-IBGZPJMESA-N 2 1 321.553 3.306 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CC[NH+]3CCCC3)C2)C1 ZINC001278056385 1099984191 /nfs/dbraw/zinc/98/41/91/1099984191.db2.gz YYYQVNCVYMJBNC-LJQANCHMSA-N 2 1 321.553 3.306 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001237187296 1100023337 /nfs/dbraw/zinc/02/33/37/1100023337.db2.gz FVFHPCWZEDOKEU-SAABIXHNSA-N 2 1 301.478 3.107 20 0 DGADMP C[C@H]1C(=O)CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C12CCCC2 ZINC001237190131 1100025615 /nfs/dbraw/zinc/02/56/15/1100025615.db2.gz CSIUIDNMRUBYDS-HNNXBMFYSA-N 2 1 312.457 3.056 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC001237204156 1100032109 /nfs/dbraw/zinc/03/21/09/1100032109.db2.gz LEVPHZTVBGDMIJ-UHFFFAOYSA-N 2 1 313.489 3.252 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2Nc3ccc(Cl)cc3[C@@H]2C1 ZINC001237231500 1100043113 /nfs/dbraw/zinc/04/31/13/1100043113.db2.gz HTWYOEKGMUBCOI-DOTOQJQBSA-N 2 1 307.869 3.443 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237384436 1100102487 /nfs/dbraw/zinc/10/24/87/1100102487.db2.gz WWETYPGCVBXBGT-ZFWWWQNUSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237384436 1100102495 /nfs/dbraw/zinc/10/24/95/1100102495.db2.gz WWETYPGCVBXBGT-ZFWWWQNUSA-N 2 1 314.351 3.159 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384332 1100103433 /nfs/dbraw/zinc/10/34/33/1100103433.db2.gz VTZHQKPHXXFSBL-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384332 1100103438 /nfs/dbraw/zinc/10/34/38/1100103438.db2.gz VTZHQKPHXXFSBL-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1C(C)C ZINC001237389102 1100105094 /nfs/dbraw/zinc/10/50/94/1100105094.db2.gz FPVWJPDSACQAMF-WMZOPIPTSA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1C(C)C ZINC001237389102 1100105101 /nfs/dbraw/zinc/10/51/01/1100105101.db2.gz FPVWJPDSACQAMF-WMZOPIPTSA-N 2 1 302.462 3.393 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237388158 1100105623 /nfs/dbraw/zinc/10/56/23/1100105623.db2.gz CKMPLIBONQCGCP-MJGOQNOKSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237388158 1100105630 /nfs/dbraw/zinc/10/56/30/1100105630.db2.gz CKMPLIBONQCGCP-MJGOQNOKSA-N 2 1 302.462 3.295 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)F ZINC001237409842 1100116313 /nfs/dbraw/zinc/11/63/13/1100116313.db2.gz BUFPAUMPYPWRHD-UKRRQHHQSA-N 2 1 310.388 3.207 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)F ZINC001237409842 1100116318 /nfs/dbraw/zinc/11/63/18/1100116318.db2.gz BUFPAUMPYPWRHD-UKRRQHHQSA-N 2 1 310.388 3.207 20 0 DGADMP Cc1coc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001237648405 1100203035 /nfs/dbraw/zinc/20/30/35/1100203035.db2.gz HDPMRHXAMOJKFF-UHFFFAOYSA-N 2 1 311.429 3.081 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c1)OCC2 ZINC001237750714 1100236671 /nfs/dbraw/zinc/23/66/71/1100236671.db2.gz LVEKQRFYSGCUAG-IBGZPJMESA-N 2 1 314.473 3.462 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c1)OCC2 ZINC001237750714 1100236678 /nfs/dbraw/zinc/23/66/78/1100236678.db2.gz LVEKQRFYSGCUAG-IBGZPJMESA-N 2 1 314.473 3.462 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC001278147459 1100249987 /nfs/dbraw/zinc/24/99/87/1100249987.db2.gz WWQSMJAMWSGNRP-AQNXPRMDSA-N 2 1 321.553 3.447 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](O)[C@H](C)C3)cc21 ZINC001237880660 1100279359 /nfs/dbraw/zinc/27/93/59/1100279359.db2.gz IAECNOBMKIYKAO-DNVCBOLYSA-N 2 1 314.473 3.281 20 0 DGADMP CO[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237881254 1100279764 /nfs/dbraw/zinc/27/97/64/1100279764.db2.gz PNWAYJAODUGWQT-KRWDZBQOSA-N 2 1 300.446 3.299 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)C2 ZINC001237885967 1100281889 /nfs/dbraw/zinc/28/18/89/1100281889.db2.gz JNYKDZGXMUSNNQ-PXNSSMCTSA-N 2 1 312.457 3.441 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)C2 ZINC001237885967 1100281893 /nfs/dbraw/zinc/28/18/93/1100281893.db2.gz JNYKDZGXMUSNNQ-PXNSSMCTSA-N 2 1 312.457 3.441 20 0 DGADMP CCOC(=O)c1ccccc1CN(C(C)C)C1CC[NH+](C)CC1 ZINC001237890740 1100284932 /nfs/dbraw/zinc/28/49/32/1100284932.db2.gz WHJZTIMQTQTJSW-UHFFFAOYSA-N 2 1 318.461 3.168 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1C1CCOCC1 ZINC001237904803 1100287496 /nfs/dbraw/zinc/28/74/96/1100287496.db2.gz LHODUMHSOOUCSG-UHFFFAOYSA-N 2 1 316.489 3.498 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1C1CCOCC1 ZINC001237904803 1100287502 /nfs/dbraw/zinc/28/75/02/1100287502.db2.gz LHODUMHSOOUCSG-UHFFFAOYSA-N 2 1 316.489 3.498 20 0 DGADMP Cc1sccc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001237969611 1100307629 /nfs/dbraw/zinc/30/76/29/1100307629.db2.gz PZTZTRLDMMLVAQ-HDICACEKSA-N 2 1 313.470 3.015 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111731 1100365298 /nfs/dbraw/zinc/36/52/98/1100365298.db2.gz XAAKOACTDJACBX-AWEZNQCLSA-N 2 1 315.417 3.031 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111731 1100365308 /nfs/dbraw/zinc/36/53/08/1100365308.db2.gz XAAKOACTDJACBX-AWEZNQCLSA-N 2 1 315.417 3.031 20 0 DGADMP Cc1ncncc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001238175490 1100379769 /nfs/dbraw/zinc/37/97/69/1100379769.db2.gz LWNNGIRGKNNPHR-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191443891 1100468804 /nfs/dbraw/zinc/46/88/04/1100468804.db2.gz GTGJLPTXGYCTEF-PMACEKPBSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191443891 1100468808 /nfs/dbraw/zinc/46/88/08/1100468808.db2.gz GTGJLPTXGYCTEF-PMACEKPBSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191443891 1100468810 /nfs/dbraw/zinc/46/88/10/1100468810.db2.gz GTGJLPTXGYCTEF-PMACEKPBSA-N 2 1 318.505 3.032 20 0 DGADMP Cc1cc(C[N@@H+]2CCc3nccn3CC2)cnc1-c1ccccc1 ZINC001238615340 1100484061 /nfs/dbraw/zinc/48/40/61/1100484061.db2.gz NEGCPIBPMQKYFV-UHFFFAOYSA-N 2 1 318.424 3.312 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cnc3-c3ccccc3)C[C@@H]2C1 ZINC001238615333 1100484415 /nfs/dbraw/zinc/48/44/15/1100484415.db2.gz CGQPZUQTTHBMOG-PMACEKPBSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001238618003 1100485728 /nfs/dbraw/zinc/48/57/28/1100485728.db2.gz DBRDZEYXFMIPCB-TZIWHRDSSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001238618003 1100485730 /nfs/dbraw/zinc/48/57/30/1100485730.db2.gz DBRDZEYXFMIPCB-TZIWHRDSSA-N 2 1 321.468 3.441 20 0 DGADMP CCOc1cc(F)c(F)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001238653720 1100491818 /nfs/dbraw/zinc/49/18/18/1100491818.db2.gz ONQROMWTKYAUFC-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)cc3OC)C[C@@H]2C1 ZINC001238769109 1100525109 /nfs/dbraw/zinc/52/51/09/1100525109.db2.gz IBQBCHQTEMLVRA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)cc3OC)C[C@@H]2C1 ZINC001238769109 1100525116 /nfs/dbraw/zinc/52/51/16/1100525116.db2.gz IBQBCHQTEMLVRA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3OC)C[C@@H]2C1 ZINC001238769109 1100525119 /nfs/dbraw/zinc/52/51/19/1100525119.db2.gz IBQBCHQTEMLVRA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(C)cc3OC)C[C@@H]2C1 ZINC001238769109 1100525126 /nfs/dbraw/zinc/52/51/26/1100525126.db2.gz IBQBCHQTEMLVRA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP COc1nscc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001192401410 1100617474 /nfs/dbraw/zinc/61/74/74/1100617474.db2.gz ODKYNFWRDKMGMH-UHFFFAOYSA-N 2 1 323.506 3.240 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001239682737 1100724421 /nfs/dbraw/zinc/72/44/21/1100724421.db2.gz AXNXKADATLHWPB-UHFFFAOYSA-N 2 1 323.484 3.338 20 0 DGADMP Cn1ccc2c1cc[nH+]c2-c1cccc(CC[NH+]2CCOCC2)c1 ZINC001240259055 1100913639 /nfs/dbraw/zinc/91/36/39/1100913639.db2.gz UVQJJLYNCUVGCD-UHFFFAOYSA-N 2 1 321.424 3.115 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3ccccc3C(C)(C)[NH3+])c2)CC1 ZINC001240303636 1100932656 /nfs/dbraw/zinc/93/26/56/1100932656.db2.gz KWIFGXLEMFFDHV-UHFFFAOYSA-N 2 1 323.484 3.295 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3ccc(C(C)(C)[NH3+])cc3)c2)CC1 ZINC001240304185 1100933148 /nfs/dbraw/zinc/93/31/48/1100933148.db2.gz XHCVNBHEUUKWRR-UHFFFAOYSA-N 2 1 323.484 3.295 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3cccc(C4([NH3+])CC4)c3)c2)CC1 ZINC001240303449 1100933202 /nfs/dbraw/zinc/93/32/02/1100933202.db2.gz FPFZHGNCXXORQH-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP C[NH+](C)Cc1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001240386142 1100968381 /nfs/dbraw/zinc/96/83/81/1100968381.db2.gz BVBGYVHSNLTVGR-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP Cc1cc2[nH]ccc2c(-c2ccc(CN3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001240396001 1100976173 /nfs/dbraw/zinc/97/61/73/1100976173.db2.gz MSSLTDYKAWTURW-UHFFFAOYSA-N 2 1 320.440 3.286 20 0 DGADMP C[NH+](C)Cc1cccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC001240401936 1100979003 /nfs/dbraw/zinc/97/90/03/1100979003.db2.gz NXDNVHWFUIWPKM-UHFFFAOYSA-N 2 1 323.484 3.163 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4c(c3)CCCO4)cn12 ZINC001240772966 1101131446 /nfs/dbraw/zinc/13/14/46/1101131446.db2.gz IVIYFONNKPIMPM-UHFFFAOYSA-N 2 1 305.381 3.013 20 0 DGADMP c1[nH+]cn2cc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)ccc12 ZINC001240859120 1101161544 /nfs/dbraw/zinc/16/15/44/1101161544.db2.gz JXZCEFZFJSWJGP-UHFFFAOYSA-N 2 1 319.408 3.323 20 0 DGADMP C[N@@H+]1CC=C(c2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)CC1 ZINC001241319128 1101374238 /nfs/dbraw/zinc/37/42/38/1101374238.db2.gz CTVRZALFQXOGMB-KRWDZBQOSA-N 2 1 310.445 3.070 20 0 DGADMP C[N@H+]1CCC=C(c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001241571486 1101552959 /nfs/dbraw/zinc/55/29/59/1101552959.db2.gz AKIIKIAHTUHRDA-OALUTQOASA-N 2 1 300.446 3.192 20 0 DGADMP C[N@H+]1CCC=C(c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)C1 ZINC001241570046 1101554257 /nfs/dbraw/zinc/55/42/57/1101554257.db2.gz BITKDDRLTCKRJH-KRWDZBQOSA-N 2 1 308.429 3.220 20 0 DGADMP COc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1Cl ZINC001241856969 1101753173 /nfs/dbraw/zinc/75/31/73/1101753173.db2.gz ADRFRYIGGKWENB-UHFFFAOYSA-N 2 1 313.788 3.350 20 0 DGADMP FC(F)Oc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241952061 1101799127 /nfs/dbraw/zinc/79/91/27/1101799127.db2.gz PPTBIVMDTGLJGD-UHFFFAOYSA-N 2 1 315.323 3.290 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(-c2cccc(C[NH+]3CCCC3)c2)nn1 ZINC001242117933 1101919474 /nfs/dbraw/zinc/91/94/74/1101919474.db2.gz XWUSEBAGTWTXSL-UHFFFAOYSA-N 2 1 319.412 3.234 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001199329412 1102115712 /nfs/dbraw/zinc/11/57/12/1102115712.db2.gz SIWIMUHOFATYEV-IAGOWNOFSA-N 2 1 303.494 3.494 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccccc1C(F)(F)F ZINC001205902032 1102404215 /nfs/dbraw/zinc/40/42/15/1102404215.db2.gz GZLUEBYOVKDTOJ-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912878 1102500502 /nfs/dbraw/zinc/50/05/02/1102500502.db2.gz DLFGRBJTAUMXEJ-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912876 1102500327 /nfs/dbraw/zinc/50/03/27/1102500327.db2.gz DLFGRBJTAUMXEJ-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912876 1102500331 /nfs/dbraw/zinc/50/03/31/1102500331.db2.gz DLFGRBJTAUMXEJ-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912878 1102500493 /nfs/dbraw/zinc/50/04/93/1102500493.db2.gz DLFGRBJTAUMXEJ-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916644 1102581225 /nfs/dbraw/zinc/58/12/25/1102581225.db2.gz VJFPSALEBRWNCF-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916644 1102581227 /nfs/dbraw/zinc/58/12/27/1102581227.db2.gz VJFPSALEBRWNCF-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP CC(C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201470083 1102602187 /nfs/dbraw/zinc/60/21/87/1102602187.db2.gz AMYFLHPQSWMUHQ-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201470114 1102603238 /nfs/dbraw/zinc/60/32/38/1102603238.db2.gz BYOBEPDMRUWATQ-INIZCTEOSA-N 2 1 322.518 3.459 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923867 1102664410 /nfs/dbraw/zinc/66/44/10/1102664410.db2.gz PDSFVIGOZCNQJI-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923867 1102664416 /nfs/dbraw/zinc/66/44/16/1102664416.db2.gz PDSFVIGOZCNQJI-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP CSCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201696226 1102692608 /nfs/dbraw/zinc/69/26/08/1102692608.db2.gz ISXMHXRFYCSOEI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201696226 1102692612 /nfs/dbraw/zinc/69/26/12/1102692612.db2.gz ISXMHXRFYCSOEI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201696226 1102692617 /nfs/dbraw/zinc/69/26/17/1102692617.db2.gz ISXMHXRFYCSOEI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CCOc1cc(C)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243406479 1102705952 /nfs/dbraw/zinc/70/59/52/1102705952.db2.gz WNAIEAJOLBLHAM-UHFFFAOYSA-N 2 1 307.397 3.395 20 0 DGADMP C[N@@H+](CCOCc1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687957503 1103178888 /nfs/dbraw/zinc/17/88/88/1103178888.db2.gz CCUPEHHKMPRGCF-UHFFFAOYSA-N 2 1 316.470 3.042 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cnc(C)n1C ZINC001276304364 1103264980 /nfs/dbraw/zinc/26/49/80/1103264980.db2.gz DMMPLQIHNMXTAS-OKZBNKHCSA-N 2 1 318.509 3.203 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH+]c(C)n1C ZINC001276304364 1103265005 /nfs/dbraw/zinc/26/50/05/1103265005.db2.gz DMMPLQIHNMXTAS-OKZBNKHCSA-N 2 1 318.509 3.203 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001489098127 1103266929 /nfs/dbraw/zinc/26/69/29/1103266929.db2.gz AWHPSCQJJPMAGQ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001489098126 1103267233 /nfs/dbraw/zinc/26/72/33/1103267233.db2.gz AWHPSCQJJPMAGQ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2sc(N3CCCCC3)nc2C)CC[C@@H]1[NH3+] ZINC001326502467 1103344537 /nfs/dbraw/zinc/34/45/37/1103344537.db2.gz MGTRBHUNNCHWNB-CABCVRRESA-N 2 1 322.522 3.001 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001489270272 1103346710 /nfs/dbraw/zinc/34/67/10/1103346710.db2.gz XRDVCUGZSJCULM-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001489270272 1103346715 /nfs/dbraw/zinc/34/67/15/1103346715.db2.gz XRDVCUGZSJCULM-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001489270272 1103346730 /nfs/dbraw/zinc/34/67/30/1103346730.db2.gz XRDVCUGZSJCULM-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001206606806 1103367716 /nfs/dbraw/zinc/36/77/16/1103367716.db2.gz SUUQCIRJKHQPNA-CQSZACIVSA-N 2 1 311.267 3.052 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2cccc(Br)c2)C1 ZINC001206606806 1103367729 /nfs/dbraw/zinc/36/77/29/1103367729.db2.gz SUUQCIRJKHQPNA-CQSZACIVSA-N 2 1 311.267 3.052 20 0 DGADMP CCCOc1cc(F)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001244358887 1103388630 /nfs/dbraw/zinc/38/86/30/1103388630.db2.gz MVGKIJSPDSORLI-UHFFFAOYSA-N 2 1 315.392 3.086 20 0 DGADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001276310722 1103476726 /nfs/dbraw/zinc/47/67/26/1103476726.db2.gz IRVQHKYLDWSXMX-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001276310722 1103476734 /nfs/dbraw/zinc/47/67/34/1103476734.db2.gz IRVQHKYLDWSXMX-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001276310722 1103476741 /nfs/dbraw/zinc/47/67/41/1103476741.db2.gz IRVQHKYLDWSXMX-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001327145284 1103549945 /nfs/dbraw/zinc/54/99/45/1103549945.db2.gz DOOLCELVXICFOI-XDIYQJDNSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000097899516 1103555367 /nfs/dbraw/zinc/55/53/67/1103555367.db2.gz IPLMLHJCJCRUSF-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000097899516 1103555374 /nfs/dbraw/zinc/55/53/74/1103555374.db2.gz IPLMLHJCJCRUSF-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(CN2CCC[N@@H+](CCCCCC[NH3+])CC2)cc1 ZINC001327324377 1103621823 /nfs/dbraw/zinc/62/18/23/1103621823.db2.gz WZMKFYBRFMSKPI-UHFFFAOYSA-N 2 1 303.494 3.022 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC001327723174 1103716337 /nfs/dbraw/zinc/71/63/37/1103716337.db2.gz UAFAYGRFZZCROR-KBPBESRZSA-N 2 1 318.440 3.168 20 0 DGADMP Cc1cc(F)cc(Cl)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001245059963 1103831966 /nfs/dbraw/zinc/83/19/66/1103831966.db2.gz QGUZHJIUOUQFCF-UHFFFAOYSA-N 2 1 305.784 3.259 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202528413 1103918900 /nfs/dbraw/zinc/91/89/00/1103918900.db2.gz DEKUMIDLIJPPHF-INIZCTEOSA-N 2 1 322.880 3.273 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202528413 1103918910 /nfs/dbraw/zinc/91/89/10/1103918910.db2.gz DEKUMIDLIJPPHF-INIZCTEOSA-N 2 1 322.880 3.273 20 0 DGADMP C[C@H]1CCc2nc(C[NH2+]Cc3ccc(C[NH3+])cc3)sc2C1 ZINC001328412639 1103937173 /nfs/dbraw/zinc/93/71/73/1103937173.db2.gz KCHKQLRMENUSFM-LBPRGKRZSA-N 2 1 301.459 3.016 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137060165 1103944503 /nfs/dbraw/zinc/94/45/03/1103944503.db2.gz LBEGFYTWKRVKLT-UHFFFAOYSA-N 2 1 324.403 3.333 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001137087665 1103970366 /nfs/dbraw/zinc/97/03/66/1103970366.db2.gz FDHCTRHAGXUYOR-GOSISDBHSA-N 2 1 324.472 3.470 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001137087665 1103970372 /nfs/dbraw/zinc/97/03/72/1103970372.db2.gz FDHCTRHAGXUYOR-GOSISDBHSA-N 2 1 324.472 3.470 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3nccnc3c2)CC1 ZINC001137092188 1103973508 /nfs/dbraw/zinc/97/35/08/1103973508.db2.gz GMLTXMGUOCGPAA-UHFFFAOYSA-N 2 1 312.461 3.326 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001328679884 1104019445 /nfs/dbraw/zinc/01/94/45/1104019445.db2.gz BSBPXVZNASSENE-HNNXBMFYSA-N 2 1 322.522 3.049 20 0 DGADMP Cc1cccc2ncc(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)n21 ZINC001137196415 1104054799 /nfs/dbraw/zinc/05/47/99/1104054799.db2.gz DMIGPWRNEUCNOJ-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765510 1104061015 /nfs/dbraw/zinc/06/10/15/1104061015.db2.gz XGAPPRAQYHZSFT-CABCVRRESA-N 2 1 318.486 3.397 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765510 1104061027 /nfs/dbraw/zinc/06/10/27/1104061027.db2.gz XGAPPRAQYHZSFT-CABCVRRESA-N 2 1 318.486 3.397 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC001329022661 1104126102 /nfs/dbraw/zinc/12/61/02/1104126102.db2.gz HBVOJCFEUCPTAS-UWVGGRQHSA-N 2 1 303.219 3.237 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)C3CC3)cc2)c2ccccc21 ZINC001329025285 1104127217 /nfs/dbraw/zinc/12/72/17/1104127217.db2.gz UVDWTAOTKJGGRY-OALUTQOASA-N 2 1 321.424 3.270 20 0 DGADMP COc1ccc2[nH]c(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2c1 ZINC001245591661 1104141413 /nfs/dbraw/zinc/14/14/13/1104141413.db2.gz KRZSNRWUHFVVMK-UHFFFAOYSA-N 2 1 318.380 3.178 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cc(C)ccc4n3)C[C@@H]2C1 ZINC001137218892 1104160505 /nfs/dbraw/zinc/16/05/05/1104160505.db2.gz QFAIXRLPMGHSDC-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cc(C)ccc4n3)C[C@@H]2C1 ZINC001137218892 1104160507 /nfs/dbraw/zinc/16/05/07/1104160507.db2.gz QFAIXRLPMGHSDC-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cc(C)ccc4n3)C[C@@H]2C1 ZINC001137218892 1104160509 /nfs/dbraw/zinc/16/05/09/1104160509.db2.gz QFAIXRLPMGHSDC-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cc(C)ccc4n3)C[C@@H]2C1 ZINC001137218892 1104160511 /nfs/dbraw/zinc/16/05/11/1104160511.db2.gz QFAIXRLPMGHSDC-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3ccc4cccc(Cl)c4n3)C2)CC1 ZINC001137228505 1104177899 /nfs/dbraw/zinc/17/78/99/1104177899.db2.gz OCMJCTHCJNMUMZ-UHFFFAOYSA-N 2 1 315.848 3.416 20 0 DGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001202740136 1104197988 /nfs/dbraw/zinc/19/79/88/1104197988.db2.gz SYLNLXDGKGOTRX-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC001202740136 1104197992 /nfs/dbraw/zinc/19/79/92/1104197992.db2.gz SYLNLXDGKGOTRX-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC001202740136 1104197996 /nfs/dbraw/zinc/19/79/96/1104197996.db2.gz SYLNLXDGKGOTRX-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001202740136 1104197998 /nfs/dbraw/zinc/19/79/98/1104197998.db2.gz SYLNLXDGKGOTRX-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001202740136 1104198004 /nfs/dbraw/zinc/19/80/04/1104198004.db2.gz SYLNLXDGKGOTRX-DFQSSKMNSA-N 2 1 313.489 3.414 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2Cl)CC1 ZINC001329508271 1104290394 /nfs/dbraw/zinc/29/03/94/1104290394.db2.gz ZLWFZGKRZHOWKG-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2Cl)CC1 ZINC001329508271 1104290400 /nfs/dbraw/zinc/29/04/00/1104290400.db2.gz ZLWFZGKRZHOWKG-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC001246075722 1104370808 /nfs/dbraw/zinc/37/08/08/1104370808.db2.gz KRRRPHNVNUJSLP-RYUDHWBXSA-N 2 1 315.230 3.208 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[NH2+]1 ZINC001245981846 1104345855 /nfs/dbraw/zinc/34/58/55/1104345855.db2.gz NAMPKPWDRRHSED-SJLPKXTDSA-N 2 1 324.896 3.001 20 0 DGADMP CCCCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246030801 1104354931 /nfs/dbraw/zinc/35/49/31/1104354931.db2.gz AXSMTIYBERGSBK-XUVXKRRUSA-N 2 1 316.489 3.007 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246074309 1104366654 /nfs/dbraw/zinc/36/66/54/1104366654.db2.gz NZFGKLHURFWWPI-JKSUJKDBSA-N 2 1 306.450 3.104 20 0 DGADMP CC[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246073808 1104366810 /nfs/dbraw/zinc/36/68/10/1104366810.db2.gz KEZGDXVIJYTIKR-WCIQWLHISA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246073808 1104366822 /nfs/dbraw/zinc/36/68/22/1104366822.db2.gz KEZGDXVIJYTIKR-WCIQWLHISA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC001246074869 1104369910 /nfs/dbraw/zinc/36/99/10/1104369910.db2.gz FISWUVYFRYSQSK-ZIAGYGMSSA-N 2 1 315.230 3.208 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC[NH2+]1 ZINC001246075279 1104369955 /nfs/dbraw/zinc/36/99/55/1104369955.db2.gz IFGKHCFHPXFOJG-LBPRGKRZSA-N 2 1 315.230 3.208 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)CC[NH2+]1 ZINC001246077844 1104371431 /nfs/dbraw/zinc/37/14/31/1104371431.db2.gz XEIFBGMINHSDND-AAEUAGOBSA-N 2 1 317.296 3.377 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC001246078068 1104372928 /nfs/dbraw/zinc/37/29/28/1104372928.db2.gz ZYDZHTNMNJYNRA-ZDUSSCGKSA-N 2 1 315.230 3.208 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2ccccc2)CC[NH2+]1 ZINC001246081266 1104376861 /nfs/dbraw/zinc/37/68/61/1104376861.db2.gz RPUNYJYMKRLQSU-KSZLIROESA-N 2 1 318.461 3.191 20 0 DGADMP F[C@@]1(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107253 1104389001 /nfs/dbraw/zinc/38/90/01/1104389001.db2.gz FQQUANAQNMVCOS-YOEHRIQHSA-N 2 1 310.844 3.269 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246110275 1104390873 /nfs/dbraw/zinc/39/08/73/1104390873.db2.gz HZYLFYQITVTFQC-NZSAHSFTSA-N 2 1 319.468 3.049 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246111302 1104391086 /nfs/dbraw/zinc/39/10/86/1104391086.db2.gz ADUVGPDSCYNYQK-INIZCTEOSA-N 2 1 318.461 3.262 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246112211 1104391789 /nfs/dbraw/zinc/39/17/89/1104391789.db2.gz DZDXCQGUUCATDT-IRXDYDNUSA-N 2 1 318.461 3.262 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)n2C)CC[NH2+]1 ZINC001246118328 1104394414 /nfs/dbraw/zinc/39/44/14/1104394414.db2.gz GHMOKSROTACQOQ-QWHCGFSZSA-N 2 1 317.399 3.444 20 0 DGADMP F[C@@]1(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246115647 1104394618 /nfs/dbraw/zinc/39/46/18/1104394618.db2.gz RXJHAZLJAFLVIQ-YOEHRIQHSA-N 2 1 310.844 3.269 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246120983 1104396771 /nfs/dbraw/zinc/39/67/71/1104396771.db2.gz UGWDQRZIDQPNQE-HKUYNNGSSA-N 2 1 313.420 3.299 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246125873 1104398111 /nfs/dbraw/zinc/39/81/11/1104398111.db2.gz IDKICVYOUIJZKP-PWSUYJOCSA-N 2 1 302.796 3.281 20 0 DGADMP c1ccc([C@@H]2[NH2+]CC[C@H]2N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246144163 1104404199 /nfs/dbraw/zinc/40/41/99/1104404199.db2.gz SANBQULZAWCREI-SXLOBPIMSA-N 2 1 313.489 3.086 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246167098 1104415299 /nfs/dbraw/zinc/41/52/99/1104415299.db2.gz CPTFYCMGWIKZDL-GXTWGEPZSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246152766 1104408319 /nfs/dbraw/zinc/40/83/19/1104408319.db2.gz ZUAJHSVSNBDJMZ-QMTHXVAHSA-N 2 1 305.224 3.216 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246152764 1104408382 /nfs/dbraw/zinc/40/83/82/1104408382.db2.gz ZUAJHSVSNBDJMZ-IINYFYTJSA-N 2 1 305.224 3.216 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246152769 1104408781 /nfs/dbraw/zinc/40/87/81/1104408781.db2.gz ZUAJHSVSNBDJMZ-YGRLFVJLSA-N 2 1 305.224 3.216 20 0 DGADMP CCCCCC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OC)CC1 ZINC001246152935 1104409006 /nfs/dbraw/zinc/40/90/06/1104409006.db2.gz PVUDFEQNXNMWLE-JCYILVPMSA-N 2 1 312.498 3.386 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246157770 1104410205 /nfs/dbraw/zinc/41/02/05/1104410205.db2.gz DTADICBWBJREMD-ZIAGYGMSSA-N 2 1 304.331 3.465 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246164872 1104413726 /nfs/dbraw/zinc/41/37/26/1104413726.db2.gz CNHPNGBEOOSQDK-PMACEKPBSA-N 2 1 323.484 3.206 20 0 DGADMP CC1(C)C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246167500 1104414735 /nfs/dbraw/zinc/41/47/35/1104414735.db2.gz FUEVVOVWOVWVNT-OALUTQOASA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246169693 1104417838 /nfs/dbraw/zinc/41/78/38/1104417838.db2.gz JDTDTHIGGDXIOA-MJGOQNOKSA-N 2 1 321.484 3.249 20 0 DGADMP F[C@@]1(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CCC[NH2+]C1 ZINC001246172581 1104419081 /nfs/dbraw/zinc/41/90/81/1104419081.db2.gz IJRFVUMFWBNGKL-UUKMXZOPSA-N 2 1 316.464 3.495 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001246172868 1104419244 /nfs/dbraw/zinc/41/92/44/1104419244.db2.gz DKBVDMMIFRRMOI-YOEHRIQHSA-N 2 1 309.885 3.065 20 0 DGADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001329923682 1104424098 /nfs/dbraw/zinc/42/40/98/1104424098.db2.gz NSPLXVQZHQPWSN-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001329923682 1104424103 /nfs/dbraw/zinc/42/41/03/1104424103.db2.gz NSPLXVQZHQPWSN-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001329923682 1104424108 /nfs/dbraw/zinc/42/41/08/1104424108.db2.gz NSPLXVQZHQPWSN-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246180889 1104425027 /nfs/dbraw/zinc/42/50/27/1104425027.db2.gz UVSVPLJLZCTRLJ-SFHVURJKSA-N 3 1 307.526 3.425 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246180889 1104425029 /nfs/dbraw/zinc/42/50/29/1104425029.db2.gz UVSVPLJLZCTRLJ-SFHVURJKSA-N 3 1 307.526 3.425 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246183095 1104426537 /nfs/dbraw/zinc/42/65/37/1104426537.db2.gz DCTOBWCNRWOZJE-RBUKOAKNSA-N 2 1 303.494 3.191 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001246190506 1104429986 /nfs/dbraw/zinc/42/99/86/1104429986.db2.gz NYFNZRKNEIYKFX-QYZOEREBSA-N 2 1 303.494 3.190 20 0 DGADMP CCCC[C@@H]1C[C@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246194576 1104432537 /nfs/dbraw/zinc/43/25/37/1104432537.db2.gz JKXISMNSGXJZGZ-RTBURBONSA-N 2 1 303.494 3.019 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246195553 1104432585 /nfs/dbraw/zinc/43/25/85/1104432585.db2.gz XKCOVEWJTYJTSM-RBUKOAKNSA-N 3 1 309.542 3.401 20 0 DGADMP CCCCCC[C@@H](CCC)[NH2+]CCCC[C@H]([NH3+])C(=O)OC ZINC001246201624 1104435311 /nfs/dbraw/zinc/43/53/11/1104435311.db2.gz FVNIATNUZAYOIX-CVEARBPZSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C[C@H]1C ZINC001246200989 1104435494 /nfs/dbraw/zinc/43/54/94/1104435494.db2.gz GEQSFCAIGHYWCJ-WCVJEAGWSA-N 2 1 312.498 3.240 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001246203770 1104435643 /nfs/dbraw/zinc/43/56/43/1104435643.db2.gz UNURZBGZJGIVTM-DZKIICNBSA-N 2 1 312.498 3.240 20 0 DGADMP CCCCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C(=O)OCC)CC1 ZINC001246200691 1104436076 /nfs/dbraw/zinc/43/60/76/1104436076.db2.gz NDGOAQZGVDMEDR-HIEASXQVSA-N 2 1 324.509 3.256 20 0 DGADMP CCCCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246208253 1104437430 /nfs/dbraw/zinc/43/74/30/1104437430.db2.gz ULNFTXPMWCVTOD-CABCVRRESA-N 2 1 300.487 3.384 20 0 DGADMP Cc1cccc2c1CC[C@H]([NH2+]C[C@]1(C)CC[NH2+]CC1(F)F)C2 ZINC001246219283 1104441735 /nfs/dbraw/zinc/44/17/35/1104441735.db2.gz GUQKRGQTYAYRDD-RDJZCZTQSA-N 2 1 308.416 3.077 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246218565 1104442112 /nfs/dbraw/zinc/44/21/12/1104442112.db2.gz BKLBSSCOAXDECM-IUODEOHRSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246232336 1104448977 /nfs/dbraw/zinc/44/89/77/1104448977.db2.gz QWSLMHJRRBYUSI-MNOVXSKESA-N 2 1 320.786 3.245 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)cc1C(F)(F)F ZINC001246233745 1104450747 /nfs/dbraw/zinc/45/07/47/1104450747.db2.gz LRYXVWWDKIFVKV-LBPRGKRZSA-N 2 1 316.367 3.334 20 0 DGADMP COC(=O)[C@H](CC1CCCCC1)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246238706 1104451801 /nfs/dbraw/zinc/45/18/01/1104451801.db2.gz GDZYMNLLTPFRMO-IRXDYDNUSA-N 2 1 322.493 3.010 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1C(F)(F)F ZINC001246237009 1104452220 /nfs/dbraw/zinc/45/22/20/1104452220.db2.gz WASJDIWYGJFWFQ-PTEHBNRSSA-N 2 1 316.367 3.333 20 0 DGADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)C(=O)OC(C)(C)C ZINC001246242376 1104455922 /nfs/dbraw/zinc/45/59/22/1104455922.db2.gz FIXOGUOWZPDBBJ-XHSDSOJGSA-N 2 1 324.509 3.255 20 0 DGADMP CC(C)([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC001246251024 1104458682 /nfs/dbraw/zinc/45/86/82/1104458682.db2.gz BFVXSUXOSKHSOE-LBPRGKRZSA-N 2 1 311.267 3.416 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246269367 1104467792 /nfs/dbraw/zinc/46/77/92/1104467792.db2.gz RRKIJULNAIXTBA-KBXCAEBGSA-N 2 1 302.849 3.431 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CN1 ZINC001246272804 1104469498 /nfs/dbraw/zinc/46/94/98/1104469498.db2.gz WKCMCOAVDXJGMU-FSPWUOQZSA-N 2 1 306.425 3.024 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246290744 1104475582 /nfs/dbraw/zinc/47/55/82/1104475582.db2.gz YXICZIGXEUEZAL-FZMZJTMJSA-N 2 1 309.251 3.168 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@H]2C)C[NH2+]1 ZINC001246313450 1104483827 /nfs/dbraw/zinc/48/38/27/1104483827.db2.gz ZLKTXLBONXLIOV-OGGNBRINSA-N 2 1 321.553 3.285 20 0 DGADMP c1ccc2c(c1)CCc1ccccc1C2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246326048 1104490692 /nfs/dbraw/zinc/49/06/92/1104490692.db2.gz STXMODSEHWQNHT-GOSISDBHSA-N 2 1 306.453 3.259 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C[NH2+]1 ZINC001246326425 1104490827 /nfs/dbraw/zinc/49/08/27/1104490827.db2.gz UUSWJBVCOLZSQH-MAUKXSAKSA-N 2 1 306.453 3.257 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246331271 1104495095 /nfs/dbraw/zinc/49/50/95/1104495095.db2.gz NVNOUJPFWZBUOA-YWPYICTPSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246347302 1104502367 /nfs/dbraw/zinc/50/23/67/1104502367.db2.gz SZLIFFPBCYVWST-RISCZKNCSA-N 2 1 313.283 3.343 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCOc3cc(F)ccc32)CC[NH2+]1 ZINC001246349004 1104503024 /nfs/dbraw/zinc/50/30/24/1104503024.db2.gz AJEGLEYMANEAHG-FRFSOERESA-N 2 1 306.425 3.406 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246356666 1104506184 /nfs/dbraw/zinc/50/61/84/1104506184.db2.gz OQEWRGWDYYRYOY-GFCCVEGCSA-N 2 1 311.267 3.241 20 0 DGADMP CCCC[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246359821 1104507788 /nfs/dbraw/zinc/50/77/88/1104507788.db2.gz CYQBGJVWQXTORH-QYZOEREBSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccn3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246366964 1104511817 /nfs/dbraw/zinc/51/18/17/1104511817.db2.gz LFXWTJDGWACRNM-ZBFHGGJFSA-N 2 1 323.431 3.302 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)C[NH2+]1 ZINC001246395399 1104523977 /nfs/dbraw/zinc/52/39/77/1104523977.db2.gz MBSLIUXETFZLFQ-HFBAOOFYSA-N 2 1 323.278 3.037 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2OC)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246394135 1104524711 /nfs/dbraw/zinc/52/47/11/1104524711.db2.gz MASJRFJTSUQKPE-KYHPRHEASA-N 2 1 317.477 3.440 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@@H]2CCCCNC2)CC1 ZINC001246402153 1104527017 /nfs/dbraw/zinc/52/70/17/1104527017.db2.gz JWSKBWZDRCXYPV-GUDVDZBRSA-N 2 1 307.526 3.281 20 0 DGADMP [NH3+][C@H]1CC[C@H](N(CC2CCCCC2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246402153 1104527024 /nfs/dbraw/zinc/52/70/24/1104527024.db2.gz JWSKBWZDRCXYPV-GUDVDZBRSA-N 2 1 307.526 3.281 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246400801 1104527516 /nfs/dbraw/zinc/52/75/16/1104527516.db2.gz GZGWTXSBTNFMQC-FHWLQOOXSA-N 3 1 319.468 3.040 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246400801 1104527525 /nfs/dbraw/zinc/52/75/25/1104527525.db2.gz GZGWTXSBTNFMQC-FHWLQOOXSA-N 3 1 319.468 3.040 20 0 DGADMP CCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246406704 1104528947 /nfs/dbraw/zinc/52/89/47/1104528947.db2.gz NTNUGESGMOAQFO-IRXDYDNUSA-N 2 1 306.450 3.006 20 0 DGADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)O1 ZINC001246413723 1104532490 /nfs/dbraw/zinc/53/24/90/1104532490.db2.gz PSOQJPSRACGRPN-FGTMMUONSA-N 2 1 302.462 3.069 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246436836 1104538414 /nfs/dbraw/zinc/53/84/14/1104538414.db2.gz AYPHVDRDDVIFBJ-PBHICJAKSA-N 2 1 322.880 3.162 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246446554 1104541242 /nfs/dbraw/zinc/54/12/42/1104541242.db2.gz LXWQCMSYVSTNKQ-PIIMJCKOSA-N 3 1 307.526 3.198 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246443220 1104542450 /nfs/dbraw/zinc/54/24/50/1104542450.db2.gz MGSQOMNPUCASNE-GDAAHCPNSA-N 2 1 302.462 3.245 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246449104 1104544426 /nfs/dbraw/zinc/54/44/26/1104544426.db2.gz WHWFMRUYEYKGRA-SJORKVTESA-N 3 1 307.526 3.055 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246475520 1104557136 /nfs/dbraw/zinc/55/71/36/1104557136.db2.gz UFEBBGSRFLZUIF-UWVAXJGDSA-N 2 1 307.441 3.279 20 0 DGADMP CCCC[C@@H](C)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246486951 1104561384 /nfs/dbraw/zinc/56/13/84/1104561384.db2.gz RIFJBKSBOLKCOG-SJLPKXTDSA-N 2 1 320.477 3.396 20 0 DGADMP CCC[C@H](CC)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246487946 1104561407 /nfs/dbraw/zinc/56/14/07/1104561407.db2.gz TWHGIXUUQLLQJB-ZWKOTPCHSA-N 2 1 320.477 3.396 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2c2ccc(Br)cc2)CN1 ZINC001246511803 1104569930 /nfs/dbraw/zinc/56/99/30/1104569930.db2.gz CVQKZKLFTALWGU-KJEVXHAQSA-N 2 1 309.251 3.035 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246515570 1104573852 /nfs/dbraw/zinc/57/38/52/1104573852.db2.gz SKXZEBZVPRPACE-BBWFWOEESA-N 3 1 307.526 3.198 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH+]3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246518998 1104574599 /nfs/dbraw/zinc/57/45/99/1104574599.db2.gz KWCMAHAOSHXVOH-LEWJYISDSA-N 2 1 321.468 3.302 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)cc1C ZINC001246520371 1104575479 /nfs/dbraw/zinc/57/54/79/1104575479.db2.gz IGHCJWWLIIXIKV-WOJBJXKFSA-N 2 1 315.505 3.202 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1C ZINC001246519558 1104576124 /nfs/dbraw/zinc/57/61/24/1104576124.db2.gz CAYFYDKRJZLQGM-LJQANCHMSA-N 2 1 313.489 3.100 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246519809 1104576283 /nfs/dbraw/zinc/57/62/83/1104576283.db2.gz ULSFOSJFDOVXQG-QKCSRTOESA-N 2 1 313.367 3.282 20 0 DGADMP CC[C@H]1CC([NH+]2CCN(c3ccc(C)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246522593 1104578085 /nfs/dbraw/zinc/57/80/85/1104578085.db2.gz APRCVUBINFOFQA-ROUUACIJSA-N 2 1 315.505 3.426 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537495 1104583564 /nfs/dbraw/zinc/58/35/64/1104583564.db2.gz CSDSQNZECSEBKG-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537495 1104583568 /nfs/dbraw/zinc/58/35/68/1104583568.db2.gz CSDSQNZECSEBKG-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246538224 1104583655 /nfs/dbraw/zinc/58/36/55/1104583655.db2.gz HIXJLSYKPSKEQG-PIKOESSRSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246539340 1104584438 /nfs/dbraw/zinc/58/44/38/1104584438.db2.gz JUENKHCXWWADSZ-IUODEOHRSA-N 2 1 316.367 3.329 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246539340 1104584444 /nfs/dbraw/zinc/58/44/44/1104584444.db2.gz JUENKHCXWWADSZ-IUODEOHRSA-N 2 1 316.367 3.329 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)C1 ZINC001275033726 1104585578 /nfs/dbraw/zinc/58/55/78/1104585578.db2.gz BEZAHGBICHWAPS-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)C1 ZINC001275033726 1104585617 /nfs/dbraw/zinc/58/56/17/1104585617.db2.gz BEZAHGBICHWAPS-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)C1 ZINC001275033726 1104585625 /nfs/dbraw/zinc/58/56/25/1104585625.db2.gz BEZAHGBICHWAPS-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246543540 1104585600 /nfs/dbraw/zinc/58/56/00/1104585600.db2.gz ZVDDIZXCNFQTTO-HKUYNNGSSA-N 2 1 319.468 3.259 20 0 DGADMP Cc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)n(C)n1 ZINC001275050360 1104593987 /nfs/dbraw/zinc/59/39/87/1104593987.db2.gz CUCZBCAUCNAVAW-LJQANCHMSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557998 1104596453 /nfs/dbraw/zinc/59/64/53/1104596453.db2.gz NKLZTVPBTUHKCG-DGCLKSJQSA-N 2 1 302.796 3.187 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001246564851 1104597029 /nfs/dbraw/zinc/59/70/29/1104597029.db2.gz GODPIGVXLUJQSF-BQFCYCMXSA-N 2 1 304.478 3.323 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001246564869 1104597860 /nfs/dbraw/zinc/59/78/60/1104597860.db2.gz GODPIGVXLUJQSF-XYJFISCASA-N 2 1 304.478 3.323 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001246563952 1104598150 /nfs/dbraw/zinc/59/81/50/1104598150.db2.gz DLVPCLCGBPJMCV-QXCFHYIPSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564329 1104598198 /nfs/dbraw/zinc/59/81/98/1104598198.db2.gz MVLOCZWRZFKRQD-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564329 1104598207 /nfs/dbraw/zinc/59/82/07/1104598207.db2.gz MVLOCZWRZFKRQD-HOJAQTOUSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564329 1104598218 /nfs/dbraw/zinc/59/82/18/1104598218.db2.gz MVLOCZWRZFKRQD-HOJAQTOUSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246564329 1104598225 /nfs/dbraw/zinc/59/82/25/1104598225.db2.gz MVLOCZWRZFKRQD-HOJAQTOUSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564329 1104598234 /nfs/dbraw/zinc/59/82/34/1104598234.db2.gz MVLOCZWRZFKRQD-HOJAQTOUSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CCC[C@@H]1C[NH3+] ZINC001246566467 1104598636 /nfs/dbraw/zinc/59/86/36/1104598636.db2.gz IVKVFIIPPXIRTK-XPKDYRNWSA-N 2 1 308.416 3.129 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246569089 1104599155 /nfs/dbraw/zinc/59/91/55/1104599155.db2.gz PUSUAQFLXAWQIE-USXIJHARSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)CC[C@H]1F ZINC001246570301 1104599911 /nfs/dbraw/zinc/59/99/11/1104599911.db2.gz OZOGOWQBMCFXLI-SYNTWQANSA-N 2 1 306.425 3.138 20 0 DGADMP [NH3+][C@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)CC[C@H]1F ZINC001246570301 1104599918 /nfs/dbraw/zinc/59/99/18/1104599918.db2.gz OZOGOWQBMCFXLI-SYNTWQANSA-N 2 1 306.425 3.138 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246570298 1104600408 /nfs/dbraw/zinc/60/04/08/1104600408.db2.gz OZMBXOWZKJQBKD-WKPIXPDZSA-N 2 1 302.796 3.171 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246570298 1104600410 /nfs/dbraw/zinc/60/04/10/1104600410.db2.gz OZMBXOWZKJQBKD-WKPIXPDZSA-N 2 1 302.796 3.171 20 0 DGADMP C[C@H]1C[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CCC[C@@H]1C[NH3+] ZINC001246569712 1104600432 /nfs/dbraw/zinc/60/04/32/1104600432.db2.gz SCLCPTZSMSYMIQ-JKSUJKDBSA-N 2 1 324.509 3.005 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001246577349 1104603454 /nfs/dbraw/zinc/60/34/54/1104603454.db2.gz OWNAXFPIJTXSRF-QRVBRYPASA-N 2 1 302.462 3.358 20 0 DGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(Cc3cc(C)nn3C)C2)C1 ZINC001275066495 1104605366 /nfs/dbraw/zinc/60/53/66/1104605366.db2.gz XCCWCIHCQSPFHM-APWZRJJASA-N 2 1 318.509 3.063 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001246582847 1104606423 /nfs/dbraw/zinc/60/64/23/1104606423.db2.gz HSEOISVHHWORCH-LJQANCHMSA-N 2 1 301.478 3.106 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275071951 1104607226 /nfs/dbraw/zinc/60/72/26/1104607226.db2.gz MZAFYZMNDWFOSK-UHFFFAOYSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)[N@@H+](C1Cc2cc(F)c(F)cc2C1)[C@H]1CCC[NH2+]CC1 ZINC001246589285 1104607571 /nfs/dbraw/zinc/60/75/71/1104607571.db2.gz FBVRHYLEMGUAOZ-HNNXBMFYSA-N 2 1 308.416 3.285 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](CC)C[C@@H](C)CC)C[C@@H]1C[NH2+]CCC2 ZINC001246593502 1104609797 /nfs/dbraw/zinc/60/97/97/1104609797.db2.gz GUDDSIRXWSDFCP-DWRORGKVSA-N 2 1 324.509 3.066 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(C(=O)OCC)C2)CC[NH2+]1 ZINC001246591844 1104610115 /nfs/dbraw/zinc/61/01/15/1104610115.db2.gz ODECMAHRAWTNRN-AOIWGVFYSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)[N@@H+]([C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246595948 1104614882 /nfs/dbraw/zinc/61/48/82/1104614882.db2.gz UHVZCPGICJTHBM-ROUUACIJSA-N 3 1 307.526 3.294 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246595948 1104614888 /nfs/dbraw/zinc/61/48/88/1104614888.db2.gz UHVZCPGICJTHBM-ROUUACIJSA-N 2 1 307.526 3.294 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246602656 1104617877 /nfs/dbraw/zinc/61/78/77/1104617877.db2.gz ILRKESKNGUNLAZ-MAUKXSAKSA-N 2 1 304.865 3.273 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246604777 1104620873 /nfs/dbraw/zinc/62/08/73/1104620873.db2.gz IVRIMYHDEOKGTJ-APWZRJJASA-N 2 1 320.427 3.430 20 0 DGADMP Clc1cccc2c1C[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246606455 1104622544 /nfs/dbraw/zinc/62/25/44/1104622544.db2.gz ARAHYFALMAMQLW-OAHLLOKOSA-N 2 1 304.865 3.415 20 0 DGADMP CCCC[C@@H](CCC)[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246605606 1104622674 /nfs/dbraw/zinc/62/26/74/1104622674.db2.gz VMHPXNPXNXCIJQ-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001246605759 1104622784 /nfs/dbraw/zinc/62/27/84/1104622784.db2.gz CSHDPUGFQOQENC-APWZRJJASA-N 2 1 302.462 3.092 20 0 DGADMP Cc1cc(CN2CC[C@@]3(C2)CCC[N@H+](CCC(C)C)C3)n(C)n1 ZINC001275102040 1104624555 /nfs/dbraw/zinc/62/45/55/1104624555.db2.gz HIHPPJOKWQVRBA-IBGZPJMESA-N 2 1 318.509 3.063 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610836 1104625812 /nfs/dbraw/zinc/62/58/12/1104625812.db2.gz OEWRVWJYMNVVNG-ROUUACIJSA-N 2 1 304.865 3.273 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610836 1104625816 /nfs/dbraw/zinc/62/58/16/1104625816.db2.gz OEWRVWJYMNVVNG-ROUUACIJSA-N 2 1 304.865 3.273 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001246610579 1104626363 /nfs/dbraw/zinc/62/63/63/1104626363.db2.gz PNKLGRCWRKMIDN-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610840 1104626401 /nfs/dbraw/zinc/62/64/01/1104626401.db2.gz OEWRVWJYMNVVNG-ZWKOTPCHSA-N 2 1 304.865 3.273 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610840 1104626406 /nfs/dbraw/zinc/62/64/06/1104626406.db2.gz OEWRVWJYMNVVNG-ZWKOTPCHSA-N 2 1 304.865 3.273 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246619906 1104631146 /nfs/dbraw/zinc/63/11/46/1104631146.db2.gz MQNGRNYXVCIRJP-UXHICEINSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246619906 1104631149 /nfs/dbraw/zinc/63/11/49/1104631149.db2.gz MQNGRNYXVCIRJP-UXHICEINSA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246621032 1104631331 /nfs/dbraw/zinc/63/13/31/1104631331.db2.gz CLWLPGRHHMGJFO-NRUGXNMXSA-N 2 1 313.489 3.437 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246623431 1104632709 /nfs/dbraw/zinc/63/27/09/1104632709.db2.gz SYENEAQLSGOVKX-VQTJNVASSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246623431 1104632715 /nfs/dbraw/zinc/63/27/15/1104632715.db2.gz SYENEAQLSGOVKX-VQTJNVASSA-N 2 1 316.489 3.242 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246623053 1104632774 /nfs/dbraw/zinc/63/27/74/1104632774.db2.gz JNEPYIJUCXOLKY-HIRMHNASSA-N 2 1 313.489 3.294 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246628695 1104634649 /nfs/dbraw/zinc/63/46/49/1104634649.db2.gz CDTILODTUJJOCI-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627823 1104634921 /nfs/dbraw/zinc/63/49/21/1104634921.db2.gz XRNBYPDLCFROEC-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627823 1104634924 /nfs/dbraw/zinc/63/49/24/1104634924.db2.gz XRNBYPDLCFROEC-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630289 1104637111 /nfs/dbraw/zinc/63/71/11/1104637111.db2.gz ICJBKAYLTPELEO-UFYCRDLUSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630289 1104637114 /nfs/dbraw/zinc/63/71/14/1104637114.db2.gz ICJBKAYLTPELEO-UFYCRDLUSA-N 2 1 313.489 3.088 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246633197 1104638126 /nfs/dbraw/zinc/63/81/26/1104638126.db2.gz JZMMSYAZQCJJBP-APWZRJJASA-N 2 1 320.427 3.430 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634411 1104638563 /nfs/dbraw/zinc/63/85/63/1104638563.db2.gz NMHAGJYNFSPPSC-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246637778 1104640884 /nfs/dbraw/zinc/64/08/84/1104640884.db2.gz KCBZSHSRGLYPCM-IAGOWNOFSA-N 2 1 308.416 3.328 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246644696 1104642123 /nfs/dbraw/zinc/64/21/23/1104642123.db2.gz LHNGYCCIQQRVQA-SJLPKXTDSA-N 2 1 324.509 3.353 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647688 1104645679 /nfs/dbraw/zinc/64/56/79/1104645679.db2.gz MLNXBIGTRXLEGV-OALUTQOASA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647688 1104645682 /nfs/dbraw/zinc/64/56/82/1104645682.db2.gz MLNXBIGTRXLEGV-OALUTQOASA-N 3 1 313.489 3.088 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CS2 ZINC001246649801 1104646969 /nfs/dbraw/zinc/64/69/69/1104646969.db2.gz FFQPGRZBZOUIJN-AEFFLSMTSA-N 2 1 302.487 3.312 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CS2 ZINC001246649801 1104646972 /nfs/dbraw/zinc/64/69/72/1104646972.db2.gz FFQPGRZBZOUIJN-AEFFLSMTSA-N 2 1 302.487 3.312 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CS2 ZINC001246649804 1104647479 /nfs/dbraw/zinc/64/74/79/1104647479.db2.gz FFQPGRZBZOUIJN-WMZOPIPTSA-N 2 1 302.487 3.312 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CS2 ZINC001246649804 1104647482 /nfs/dbraw/zinc/64/74/82/1104647482.db2.gz FFQPGRZBZOUIJN-WMZOPIPTSA-N 2 1 302.487 3.312 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650515 1104647494 /nfs/dbraw/zinc/64/74/94/1104647494.db2.gz UEKFDPLMTDCVQR-XJKSGUPXSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650515 1104647501 /nfs/dbraw/zinc/64/75/01/1104647501.db2.gz UEKFDPLMTDCVQR-XJKSGUPXSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650512 1104648063 /nfs/dbraw/zinc/64/80/63/1104648063.db2.gz UEKFDPLMTDCVQR-BBRMVZONSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650512 1104648066 /nfs/dbraw/zinc/64/80/66/1104648066.db2.gz UEKFDPLMTDCVQR-BBRMVZONSA-N 2 1 312.379 3.464 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N3CCC([C@@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656161 1104651358 /nfs/dbraw/zinc/65/13/58/1104651358.db2.gz MNLOAGHEUWXBRO-UXHICEINSA-N 2 1 319.537 3.248 20 0 DGADMP C1CCC(N2CCC[C@@H]([NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656161 1104651364 /nfs/dbraw/zinc/65/13/64/1104651364.db2.gz MNLOAGHEUWXBRO-UXHICEINSA-N 2 1 319.537 3.248 20 0 DGADMP C1CCC2(CC1)C[C@@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CC[NH2+]2 ZINC001246661079 1104653158 /nfs/dbraw/zinc/65/31/58/1104653158.db2.gz TXAFYRRPMXYCQP-OALUTQOASA-N 3 1 319.537 3.295 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246662970 1104653327 /nfs/dbraw/zinc/65/33/27/1104653327.db2.gz BYNAYZMZFDPYJO-MRVWCRGKSA-N 2 1 313.272 3.466 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246662970 1104653330 /nfs/dbraw/zinc/65/33/30/1104653330.db2.gz BYNAYZMZFDPYJO-MRVWCRGKSA-N 2 1 313.272 3.466 20 0 DGADMP CC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275151816 1104654933 /nfs/dbraw/zinc/65/49/33/1104654933.db2.gz QQBZEKFDZUSWNO-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275151816 1104654935 /nfs/dbraw/zinc/65/49/35/1104654935.db2.gz QQBZEKFDZUSWNO-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275151816 1104654937 /nfs/dbraw/zinc/65/49/37/1104654937.db2.gz QQBZEKFDZUSWNO-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP O=c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)[nH]1 ZINC001275155620 1104655288 /nfs/dbraw/zinc/65/52/88/1104655288.db2.gz OJGLUCXMGVZCCD-AYHJJNSGSA-N 2 1 315.461 3.062 20 0 DGADMP O=c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)[nH]1 ZINC001275155620 1104655290 /nfs/dbraw/zinc/65/52/90/1104655290.db2.gz OJGLUCXMGVZCCD-AYHJJNSGSA-N 2 1 315.461 3.062 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246673400 1104657378 /nfs/dbraw/zinc/65/73/78/1104657378.db2.gz MJEKQILBBXNMJK-INWMFGNUSA-N 2 1 323.278 3.064 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678457 1104658864 /nfs/dbraw/zinc/65/88/64/1104658864.db2.gz NUAIIOINZJRRML-DLBZAZTESA-N 3 1 321.553 3.349 20 0 DGADMP CSCC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246677523 1104658918 /nfs/dbraw/zinc/65/89/18/1104658918.db2.gz VREQCQWZXBDDAY-CGTJXYLNSA-N 2 1 304.503 3.350 20 0 DGADMP CSCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246677523 1104658923 /nfs/dbraw/zinc/65/89/23/1104658923.db2.gz VREQCQWZXBDDAY-CGTJXYLNSA-N 2 1 304.503 3.350 20 0 DGADMP CCCCCC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246682827 1104660395 /nfs/dbraw/zinc/66/03/95/1104660395.db2.gz OHUOYBSRXCNPLA-AOIWGVFYSA-N 2 1 324.509 3.210 20 0 DGADMP C[N@@H+](CCOc1ccccc1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246774246 1104668904 /nfs/dbraw/zinc/66/89/04/1104668904.db2.gz DWOKEOCYRPELQA-UHFFFAOYSA-N 2 1 302.462 3.310 20 0 DGADMP CCCC[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246773550 1104669210 /nfs/dbraw/zinc/66/92/10/1104669210.db2.gz ARDFYUAXWGAQLT-AABGKKOBSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@H]1CC([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246777179 1104669288 /nfs/dbraw/zinc/66/92/88/1104669288.db2.gz KNHWAJOFFQKPCI-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H]1CC([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246777179 1104669289 /nfs/dbraw/zinc/66/92/89/1104669289.db2.gz KNHWAJOFFQKPCI-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](CCC(=O)OC)C2CCCC2)CC[NH2+]1 ZINC001246780598 1104670503 /nfs/dbraw/zinc/67/05/03/1104670503.db2.gz CHHAKEGHVMJBBO-WBVHZDCISA-N 2 1 310.482 3.105 20 0 DGADMP C[N@H+](CCOc1ccccc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246782210 1104671776 /nfs/dbraw/zinc/67/17/76/1104671776.db2.gz QHSASKDMWZKMEA-ICSRJNTNSA-N 2 1 310.441 3.491 20 0 DGADMP C[N@@H+](CCOc1ccccc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246782210 1104671781 /nfs/dbraw/zinc/67/17/81/1104671781.db2.gz QHSASKDMWZKMEA-ICSRJNTNSA-N 2 1 310.441 3.491 20 0 DGADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246782626 1104672194 /nfs/dbraw/zinc/67/21/94/1104672194.db2.gz UCDFXEMIKMIWLR-QGZVFWFLSA-N 2 1 302.462 3.452 20 0 DGADMP C[N@H+](CCOc1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246782212 1104672593 /nfs/dbraw/zinc/67/25/93/1104672593.db2.gz QHSASKDMWZKMEA-UYAOXDASSA-N 2 1 310.441 3.491 20 0 DGADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246782212 1104672595 /nfs/dbraw/zinc/67/25/95/1104672595.db2.gz QHSASKDMWZKMEA-UYAOXDASSA-N 2 1 310.441 3.491 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246784919 1104673594 /nfs/dbraw/zinc/67/35/94/1104673594.db2.gz HMYDRHMJMUMBRN-NXHRZFHOSA-N 2 1 306.425 3.055 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246787921 1104675241 /nfs/dbraw/zinc/67/52/41/1104675241.db2.gz SDNQMVIKYIWARU-QRQLOZEOSA-N 2 1 318.436 3.201 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246787563 1104675255 /nfs/dbraw/zinc/67/52/55/1104675255.db2.gz RKYYLLGDBRGIAE-MHORFTMASA-N 2 1 302.462 3.367 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246789261 1104676525 /nfs/dbraw/zinc/67/65/25/1104676525.db2.gz JSVFEEZGCJUAOS-CXAGYDPISA-N 2 1 320.864 3.375 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC[NH2+]1 ZINC001246788587 1104676584 /nfs/dbraw/zinc/67/65/84/1104676584.db2.gz UIALCULMOPAVFZ-FGTMMUONSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789035 1104676614 /nfs/dbraw/zinc/67/66/14/1104676614.db2.gz ARFMNGBVSPTSPP-ZDUSSCGKSA-N 2 1 312.379 3.322 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246788615 1104676629 /nfs/dbraw/zinc/67/66/29/1104676629.db2.gz UXIXEUMYRRSJPE-QRVBRYPASA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246792309 1104678165 /nfs/dbraw/zinc/67/81/65/1104678165.db2.gz USEFLZCETZNYSG-BRWVUGGUSA-N 2 1 324.509 3.351 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001275239724 1104687345 /nfs/dbraw/zinc/68/73/45/1104687345.db2.gz MSGJAKCGRANUNU-UHFFFAOYSA-N 2 1 313.445 3.404 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH2+]C(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246818181 1104690360 /nfs/dbraw/zinc/69/03/60/1104690360.db2.gz XQBFAVRGKKVOND-IZZQQSIFSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c1C ZINC001246832419 1104696267 /nfs/dbraw/zinc/69/62/67/1104696267.db2.gz GQBSYLVLNXBORI-RBUKOAKNSA-N 2 1 315.505 3.202 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246839601 1104699570 /nfs/dbraw/zinc/69/95/70/1104699570.db2.gz CXQMHRAHVIOYNU-FUMNGEBKSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839031 1104699977 /nfs/dbraw/zinc/69/99/77/1104699977.db2.gz AIANKBLQUKTFQV-OEYIWLLWSA-N 2 1 323.278 3.049 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246839200 1104699987 /nfs/dbraw/zinc/69/99/87/1104699987.db2.gz IAIYZNNOLJRUIB-DOMZBBRYSA-N 2 1 311.267 3.412 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246840438 1104700993 /nfs/dbraw/zinc/70/09/93/1104700993.db2.gz OLYIZHRYEHISFS-JYJNAYRXSA-N 2 1 320.477 3.061 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246845479 1104704417 /nfs/dbraw/zinc/70/44/17/1104704417.db2.gz JWPAVZDIPSLYSB-RHSMWYFYSA-N 2 1 304.434 3.014 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246845479 1104704423 /nfs/dbraw/zinc/70/44/23/1104704423.db2.gz JWPAVZDIPSLYSB-RHSMWYFYSA-N 2 1 304.434 3.014 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246847214 1104704832 /nfs/dbraw/zinc/70/48/32/1104704832.db2.gz QWRABNXDHHHRRH-IBGZPJMESA-N 2 1 316.489 3.097 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246847214 1104704839 /nfs/dbraw/zinc/70/48/39/1104704839.db2.gz QWRABNXDHHHRRH-IBGZPJMESA-N 2 1 316.489 3.097 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246847644 1104705146 /nfs/dbraw/zinc/70/51/46/1104705146.db2.gz WLVKKLZCSGKRDA-UHFFFAOYSA-N 2 1 316.445 3.160 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246852644 1104708196 /nfs/dbraw/zinc/70/81/96/1104708196.db2.gz FCXQSDMPJKSVRX-UBLGTCEWSA-N 2 1 302.437 3.363 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246853496 1104708298 /nfs/dbraw/zinc/70/82/98/1104708298.db2.gz MJIPFKMEXZAHQJ-CPUCHLNUSA-N 2 1 308.491 3.493 20 0 DGADMP C1CCC2(CC1)C[C@@H]([N@@H+]1CCOC3(CCCCC3)C1)CC[NH2+]2 ZINC001246859109 1104709992 /nfs/dbraw/zinc/70/99/92/1104709992.db2.gz AMSFWSYQHSHGEC-KRWDZBQOSA-N 2 1 306.494 3.476 20 0 DGADMP C1CCC2(CC1)C[C@@H]([N@H+]1CCOC3(CCCCC3)C1)CC[NH2+]2 ZINC001246859109 1104709999 /nfs/dbraw/zinc/70/99/99/1104709999.db2.gz AMSFWSYQHSHGEC-KRWDZBQOSA-N 2 1 306.494 3.476 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001246862437 1104710985 /nfs/dbraw/zinc/71/09/85/1104710985.db2.gz GRJICFVCEMTJJT-OCCSQVGLSA-N 2 1 316.367 3.058 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246863157 1104711409 /nfs/dbraw/zinc/71/14/09/1104711409.db2.gz KBLFTZXIBLIBBT-SMDDNHRTSA-N 2 1 313.272 3.392 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874962 1104716082 /nfs/dbraw/zinc/71/60/82/1104716082.db2.gz LNYFQPNVTUFFNX-MSOLQXFVSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874962 1104716087 /nfs/dbraw/zinc/71/60/87/1104716087.db2.gz LNYFQPNVTUFFNX-MSOLQXFVSA-N 2 1 318.461 3.216 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246879183 1104717975 /nfs/dbraw/zinc/71/79/75/1104717975.db2.gz MUYBLVOCLZPICS-JFRXWTBNSA-N 2 1 318.436 3.181 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246879183 1104717980 /nfs/dbraw/zinc/71/79/80/1104717980.db2.gz MUYBLVOCLZPICS-JFRXWTBNSA-N 2 1 318.436 3.181 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880024 1104720380 /nfs/dbraw/zinc/72/03/80/1104720380.db2.gz OMTWALGPEUYQGM-BSIFCXSSSA-N 2 1 324.443 3.230 20 0 DGADMP C[C@H]1CC([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246912366 1104733590 /nfs/dbraw/zinc/73/35/90/1104733590.db2.gz RWSJDJWAEKAECW-XYCLOBBJSA-N 3 1 315.505 3.288 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246918203 1104737005 /nfs/dbraw/zinc/73/70/05/1104737005.db2.gz ZVPGFEAQCUNPJF-ZWKOTPCHSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H]1C[C@H](N(C)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246923455 1104738650 /nfs/dbraw/zinc/73/86/50/1104738650.db2.gz XEFXXFPTNPEHLC-RSPOEFSDSA-N 2 1 315.505 3.241 20 0 DGADMP COCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246930225 1104742026 /nfs/dbraw/zinc/74/20/26/1104742026.db2.gz SVBKOZCSSVUPNT-HSALFYBXSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246930225 1104742032 /nfs/dbraw/zinc/74/20/32/1104742032.db2.gz SVBKOZCSSVUPNT-HSALFYBXSA-N 2 1 316.489 3.413 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935435 1104743443 /nfs/dbraw/zinc/74/34/43/1104743443.db2.gz FAVLDHYULPJKSH-NEWSRXKRSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[C@@H]1C[C@@H](N(C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935435 1104743446 /nfs/dbraw/zinc/74/34/46/1104743446.db2.gz FAVLDHYULPJKSH-NEWSRXKRSA-N 2 1 307.526 3.007 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246939124 1104743934 /nfs/dbraw/zinc/74/39/34/1104743934.db2.gz BIWWNMVLICEQRS-HBFSDRIKSA-N 2 1 314.473 3.407 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246939915 1104746094 /nfs/dbraw/zinc/74/60/94/1104746094.db2.gz TZJVVJAMWCCVHV-GXTWGEPZSA-N 2 1 316.367 3.200 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246939915 1104746100 /nfs/dbraw/zinc/74/61/00/1104746100.db2.gz TZJVVJAMWCCVHV-GXTWGEPZSA-N 2 1 316.367 3.200 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001246945698 1104746678 /nfs/dbraw/zinc/74/66/78/1104746678.db2.gz ICOOXLBJLYHJOC-KRWDZBQOSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)C1CCNCC1 ZINC001246945698 1104746681 /nfs/dbraw/zinc/74/66/81/1104746681.db2.gz ICOOXLBJLYHJOC-KRWDZBQOSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)C1CCNCC1 ZINC001246945698 1104746683 /nfs/dbraw/zinc/74/66/83/1104746683.db2.gz ICOOXLBJLYHJOC-KRWDZBQOSA-N 2 1 307.526 3.009 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)nc1 ZINC001275400927 1104746830 /nfs/dbraw/zinc/74/68/30/1104746830.db2.gz AKUPRPXQYWDEBP-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)nc1 ZINC001275400927 1104746837 /nfs/dbraw/zinc/74/68/37/1104746837.db2.gz AKUPRPXQYWDEBP-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)nc1 ZINC001275400927 1104746840 /nfs/dbraw/zinc/74/68/40/1104746840.db2.gz AKUPRPXQYWDEBP-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP CC(C)(C)C[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246951325 1104750048 /nfs/dbraw/zinc/75/00/48/1104750048.db2.gz UHZPDEAFEZVVHT-IRXDYDNUSA-N 3 1 309.542 3.253 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246951325 1104750052 /nfs/dbraw/zinc/75/00/52/1104750052.db2.gz UHZPDEAFEZVVHT-IRXDYDNUSA-N 3 1 309.542 3.253 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)C[C@H](CC)[NH2+]1 ZINC001246964817 1104753584 /nfs/dbraw/zinc/75/35/84/1104753584.db2.gz FNCWGKSFCZEXCO-MLHJIOFPSA-N 2 1 317.477 3.152 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246967963 1104755258 /nfs/dbraw/zinc/75/52/58/1104755258.db2.gz QCFHAUCANSBNNL-IUODEOHRSA-N 2 1 316.367 3.187 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CCc1ccc(OC)cc1 ZINC001246971320 1104755616 /nfs/dbraw/zinc/75/56/16/1104755616.db2.gz AHRIOZAHMNGREQ-SJLPKXTDSA-N 2 1 304.478 3.338 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)C[C@H](CC)[NH2+]1 ZINC001246972458 1104756137 /nfs/dbraw/zinc/75/61/37/1104756137.db2.gz IFTJGIYTXPNYQU-XMTFNYHQSA-N 2 1 317.477 3.152 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973595 1104756529 /nfs/dbraw/zinc/75/65/29/1104756529.db2.gz OOPUAJSIMWGBKZ-KUHUBIRLSA-N 2 1 302.437 3.147 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CS2 ZINC001246975590 1104758006 /nfs/dbraw/zinc/75/80/06/1104758006.db2.gz LXIRAWYJPQRGSZ-QGZVFWFLSA-N 2 1 302.487 3.310 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246974749 1104758361 /nfs/dbraw/zinc/75/83/61/1104758361.db2.gz RSCKUPOKMDCLJE-FRYIKTPZSA-N 3 1 315.505 3.207 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)n1 ZINC001246977186 1104760008 /nfs/dbraw/zinc/76/00/08/1104760008.db2.gz ZWHSSBHORFGFOC-GVDBMIGSSA-N 2 1 317.477 3.010 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246979208 1104760641 /nfs/dbraw/zinc/76/06/41/1104760641.db2.gz XIEKZPVOHJGAHE-KRWDZBQOSA-N 2 1 302.437 3.290 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246981384 1104760848 /nfs/dbraw/zinc/76/08/48/1104760848.db2.gz VLTBSMGPBHYCKZ-NXHRZFHOSA-N 2 1 320.452 3.446 20 0 DGADMP CCCCOC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246994764 1104767317 /nfs/dbraw/zinc/76/73/17/1104767317.db2.gz RPGYLMNUFCAJPH-IRXDYDNUSA-N 2 1 322.493 3.107 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470944 1104769580 /nfs/dbraw/zinc/76/95/80/1104769580.db2.gz HNYGUQLHORXXRT-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O2)C[C@H](CC)[NH2+]1 ZINC001246999458 1104770563 /nfs/dbraw/zinc/77/05/63/1104770563.db2.gz JEIULMFUNCMMAB-MHORFTMASA-N 2 1 302.462 3.231 20 0 DGADMP Brc1ccc(C[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC001246997708 1104770732 /nfs/dbraw/zinc/77/07/32/1104770732.db2.gz AWSMLDHGVXOMKG-MRXNPFEDSA-N 2 1 323.278 3.208 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001247000403 1104771806 /nfs/dbraw/zinc/77/18/06/1104771806.db2.gz MAVIAFURYBFZHT-SOLBZPMBSA-N 2 1 302.462 3.089 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCO1 ZINC001247001969 1104772623 /nfs/dbraw/zinc/77/26/23/1104772623.db2.gz JWVGNYXYOICEBW-QGZVFWFLSA-N 2 1 314.473 3.081 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001247004424 1104774115 /nfs/dbraw/zinc/77/41/15/1104774115.db2.gz CBDXPODCFHJNIS-QGTPRVQTSA-N 2 1 316.445 3.141 20 0 DGADMP Fc1ccc(C[C@H]2CCC[N@H+]2C2CCC3(C[NH2+]C3)CC2)cc1 ZINC001247008028 1104774377 /nfs/dbraw/zinc/77/43/77/1104774377.db2.gz XSKFBIFUBCZABU-GOSISDBHSA-N 2 1 302.437 3.365 20 0 DGADMP CC[C@H]1C[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCO1 ZINC001247007381 1104774701 /nfs/dbraw/zinc/77/47/01/1104774701.db2.gz WIFOPJOGHWGSDE-ROUUACIJSA-N 2 1 314.473 3.081 20 0 DGADMP CCCCC[C@H](CCC)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247009164 1104775256 /nfs/dbraw/zinc/77/52/56/1104775256.db2.gz OVNVDLHYCUEJBT-DLBZAZTESA-N 2 1 324.509 3.210 20 0 DGADMP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001275592246 1104822878 /nfs/dbraw/zinc/82/28/78/1104822878.db2.gz HLUDXFQCVPOWSF-MRXNPFEDSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001275592246 1104822885 /nfs/dbraw/zinc/82/28/85/1104822885.db2.gz HLUDXFQCVPOWSF-MRXNPFEDSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001275592246 1104822895 /nfs/dbraw/zinc/82/28/95/1104822895.db2.gz HLUDXFQCVPOWSF-MRXNPFEDSA-N 2 1 323.525 3.042 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1-n1cccc1)C2 ZINC001275602048 1104828912 /nfs/dbraw/zinc/82/89/12/1104828912.db2.gz RRUYXJHDIUJQPO-FQEVSTJZSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1-n1cccc1)C2 ZINC001275602048 1104828920 /nfs/dbraw/zinc/82/89/20/1104828920.db2.gz RRUYXJHDIUJQPO-FQEVSTJZSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001275602048 1104828928 /nfs/dbraw/zinc/82/89/28/1104828928.db2.gz RRUYXJHDIUJQPO-FQEVSTJZSA-N 2 1 309.457 3.395 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001275638920 1104844440 /nfs/dbraw/zinc/84/44/40/1104844440.db2.gz KPYGSGVWWQGUII-DAWZGUTISA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]CCC[C@@H]([NH3+])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC001247508464 1104915768 /nfs/dbraw/zinc/91/57/68/1104915768.db2.gz RQEJDVICPUKMBU-MRXNPFEDSA-N 2 1 324.384 3.268 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001247693623 1104957399 /nfs/dbraw/zinc/95/73/99/1104957399.db2.gz QHMOEHWXMLYDBP-HNNXBMFYSA-N 2 1 314.364 3.158 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001247699557 1104958551 /nfs/dbraw/zinc/95/85/51/1104958551.db2.gz RZJSFGIOWBVJNM-LLVKDONJSA-N 2 1 315.204 3.172 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276010441 1104988185 /nfs/dbraw/zinc/98/81/85/1104988185.db2.gz DHSRLOKCIHYIMI-LJQANCHMSA-N 2 1 324.509 3.308 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276010441 1104988190 /nfs/dbraw/zinc/98/81/90/1104988190.db2.gz DHSRLOKCIHYIMI-LJQANCHMSA-N 2 1 324.509 3.308 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276010441 1104988195 /nfs/dbraw/zinc/98/81/95/1104988195.db2.gz DHSRLOKCIHYIMI-LJQANCHMSA-N 2 1 324.509 3.308 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3C[C@H]3C)C[C@H]2CC1 ZINC001276032912 1104992779 /nfs/dbraw/zinc/99/27/79/1104992779.db2.gz QOHCWVWGISUVPI-MXASKKJJSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@H]3C)C[C@H]2CC1 ZINC001276032912 1104992784 /nfs/dbraw/zinc/99/27/84/1104992784.db2.gz QOHCWVWGISUVPI-MXASKKJJSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@H]3C)C[C@H]2CC1 ZINC001276032912 1104992789 /nfs/dbraw/zinc/99/27/89/1104992789.db2.gz QOHCWVWGISUVPI-MXASKKJJSA-N 2 1 319.518 3.251 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032929 1104992824 /nfs/dbraw/zinc/99/28/24/1104992824.db2.gz QQOUYFFXSHFWNB-SJLPKXTDSA-N 2 1 323.484 3.374 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032929 1104992828 /nfs/dbraw/zinc/99/28/28/1104992828.db2.gz QQOUYFFXSHFWNB-SJLPKXTDSA-N 2 1 323.484 3.374 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])C3CCCCC3)n2)cc1 ZINC001247821786 1104995981 /nfs/dbraw/zinc/99/59/81/1104995981.db2.gz YMUYRAQTDJBHDR-INIZCTEOSA-N 2 1 314.433 3.378 20 0 DGADMP C[N@H+](Cc1ccc(N)nc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719947738 1105044473 /nfs/dbraw/zinc/04/44/73/1105044473.db2.gz NPWALKDNEQROFQ-UHFFFAOYSA-N 2 1 324.472 3.008 20 0 DGADMP CC(C)c1ccc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)cc1 ZINC001248896116 1105188996 /nfs/dbraw/zinc/18/89/96/1105188996.db2.gz LUHWXPCJOKPFQY-MRXNPFEDSA-N 2 1 314.433 3.250 20 0 DGADMP CCCCc1ccc(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)cc1 ZINC001249327789 1105268989 /nfs/dbraw/zinc/26/89/89/1105268989.db2.gz LWLIRDIWPKEDSC-MRXNPFEDSA-N 2 1 314.433 3.079 20 0 DGADMP CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001278516884 1105296026 /nfs/dbraw/zinc/29/60/26/1105296026.db2.gz XHDXJDWZBNWWQS-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001278516884 1105296029 /nfs/dbraw/zinc/29/60/29/1105296029.db2.gz XHDXJDWZBNWWQS-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001278516884 1105296035 /nfs/dbraw/zinc/29/60/35/1105296035.db2.gz XHDXJDWZBNWWQS-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)[nH]1 ZINC001137324227 1105486316 /nfs/dbraw/zinc/48/63/16/1105486316.db2.gz ORUZVRDLEYOQKA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)[nH]1 ZINC001137324227 1105486318 /nfs/dbraw/zinc/48/63/18/1105486318.db2.gz ORUZVRDLEYOQKA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)[nH]1 ZINC001137324227 1105486320 /nfs/dbraw/zinc/48/63/20/1105486320.db2.gz ORUZVRDLEYOQKA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)[nH]1 ZINC001137324227 1105486322 /nfs/dbraw/zinc/48/63/22/1105486322.db2.gz ORUZVRDLEYOQKA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccn1 ZINC001137410099 1105517631 /nfs/dbraw/zinc/51/76/31/1105517631.db2.gz UNSJJVDOLIOXPX-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP C[N@H+](C[C@H](O)c1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001251993365 1105720752 /nfs/dbraw/zinc/72/07/52/1105720752.db2.gz MYTHADNZNVZLAJ-FQEVSTJZSA-N 2 1 316.489 3.449 20 0 DGADMP C[N@@H+](C[C@H](O)c1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001251993365 1105720755 /nfs/dbraw/zinc/72/07/55/1105720755.db2.gz MYTHADNZNVZLAJ-FQEVSTJZSA-N 2 1 316.489 3.449 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252105875 1105740934 /nfs/dbraw/zinc/74/09/34/1105740934.db2.gz IUVWWHSCWUGHST-YRPNKDGESA-N 2 1 316.489 3.323 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252108122 1105741095 /nfs/dbraw/zinc/74/10/95/1105741095.db2.gz KOHGVDMVZHIMPO-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252108122 1105741101 /nfs/dbraw/zinc/74/11/01/1105741101.db2.gz KOHGVDMVZHIMPO-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](O)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001252788976 1105830818 /nfs/dbraw/zinc/83/08/18/1105830818.db2.gz KXHKLAGNPWGCSZ-PXTPFGJHSA-N 2 1 318.505 3.042 20 0 DGADMP O[C@@H](C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846313 1105841168 /nfs/dbraw/zinc/84/11/68/1105841168.db2.gz KASQJDAHHFIFLQ-OALUTQOASA-N 2 1 320.452 3.200 20 0 DGADMP O[C@@H](C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846313 1105841170 /nfs/dbraw/zinc/84/11/70/1105841170.db2.gz KASQJDAHHFIFLQ-OALUTQOASA-N 2 1 320.452 3.200 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H](O)c1ccc(F)cc1 ZINC001252850103 1105841799 /nfs/dbraw/zinc/84/17/99/1105841799.db2.gz PLBHFXVBJCFEKB-IPMKNSEASA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC001252850103 1105841804 /nfs/dbraw/zinc/84/18/04/1105841804.db2.gz PLBHFXVBJCFEKB-IPMKNSEASA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC001252850103 1105841809 /nfs/dbraw/zinc/84/18/09/1105841809.db2.gz PLBHFXVBJCFEKB-IPMKNSEASA-N 2 1 320.452 3.198 20 0 DGADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC1CC1 ZINC001252950977 1105859019 /nfs/dbraw/zinc/85/90/19/1105859019.db2.gz OEHMROYAXJYBCR-FQEVSTJZSA-N 2 1 316.489 3.039 20 0 DGADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC1CC1 ZINC001252950977 1105859025 /nfs/dbraw/zinc/85/90/25/1105859025.db2.gz OEHMROYAXJYBCR-FQEVSTJZSA-N 2 1 316.489 3.039 20 0 DGADMP CC1(C)CC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252950344 1105859419 /nfs/dbraw/zinc/85/94/19/1105859419.db2.gz JUDZOESDSSSZQK-UYAOXDASSA-N 2 1 316.489 3.039 20 0 DGADMP CC1(C)CC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252950344 1105859425 /nfs/dbraw/zinc/85/94/25/1105859425.db2.gz JUDZOESDSSSZQK-UYAOXDASSA-N 2 1 316.489 3.039 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001253181287 1105899975 /nfs/dbraw/zinc/89/99/75/1105899975.db2.gz SICDNSJAKCZLDY-SFHVURJKSA-N 2 1 324.896 3.222 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC001253204009 1105902461 /nfs/dbraw/zinc/90/24/61/1105902461.db2.gz NRCSHFRJCOXTQP-FQEVSTJZSA-N 2 1 312.457 3.146 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC001253204010 1105902956 /nfs/dbraw/zinc/90/29/56/1105902956.db2.gz NRCSHFRJCOXTQP-HXUWFJFHSA-N 2 1 312.457 3.146 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC001253213814 1105903246 /nfs/dbraw/zinc/90/32/46/1105903246.db2.gz MJHMQIJGDHPKIU-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc(-c2cccs2)c1 ZINC001253210022 1105903744 /nfs/dbraw/zinc/90/37/44/1105903744.db2.gz LKEHICBHSXYKNK-QGZVFWFLSA-N 2 1 318.486 3.207 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CCCCC1 ZINC001253408901 1105936534 /nfs/dbraw/zinc/93/65/34/1105936534.db2.gz LULMEBWMXNADPC-QGZVFWFLSA-N 2 1 322.468 3.324 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC001253410973 1105937446 /nfs/dbraw/zinc/93/74/46/1105937446.db2.gz ZNWMWORHKRBQHL-OAHLLOKOSA-N 2 1 310.869 3.058 20 0 DGADMP CCCCC[C@@H](O)CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253526665 1105950559 /nfs/dbraw/zinc/95/05/59/1105950559.db2.gz BHHJYNVMZNOLKU-GOSISDBHSA-N 2 1 308.510 3.268 20 0 DGADMP CCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001253526665 1105950563 /nfs/dbraw/zinc/95/05/63/1105950563.db2.gz BHHJYNVMZNOLKU-GOSISDBHSA-N 2 1 308.510 3.268 20 0 DGADMP CCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253526665 1105950566 /nfs/dbraw/zinc/95/05/66/1105950566.db2.gz BHHJYNVMZNOLKU-GOSISDBHSA-N 2 1 308.510 3.268 20 0 DGADMP C[C@@H]1CCCCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254037791 1106011827 /nfs/dbraw/zinc/01/18/27/1106011827.db2.gz SRZWADILXNWQSR-GOSISDBHSA-N 2 1 316.489 3.278 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254446807 1106072324 /nfs/dbraw/zinc/07/23/24/1106072324.db2.gz FHPOVLMIRWEZPX-GOSISDBHSA-N 2 1 306.494 3.284 20 0 DGADMP CC1(C)C[NH+](CC2(C[N@H+]3CC(C)(C)C3(C)C)COC2)C1(C)C ZINC001254466320 1106077393 /nfs/dbraw/zinc/07/73/93/1106077393.db2.gz SLRSCMBOFOJPOU-UHFFFAOYSA-N 2 1 308.510 3.244 20 0 DGADMP CC1(C)C[NH+](CC2(C[N@@H+]3CC(C)(C)C3(C)C)COC2)C1(C)C ZINC001254466320 1106077400 /nfs/dbraw/zinc/07/74/00/1106077400.db2.gz SLRSCMBOFOJPOU-UHFFFAOYSA-N 2 1 308.510 3.244 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)CC1 ZINC001254506619 1106085777 /nfs/dbraw/zinc/08/57/77/1106085777.db2.gz VPSRSTMFXDLOTN-DLBZAZTESA-N 2 1 314.473 3.115 20 0 DGADMP CN1CCC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510355 1106086342 /nfs/dbraw/zinc/08/63/42/1106086342.db2.gz NLNNCARJNSNENX-BHIYHBOVSA-N 2 1 307.526 3.375 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510355 1106086349 /nfs/dbraw/zinc/08/63/49/1106086349.db2.gz NLNNCARJNSNENX-BHIYHBOVSA-N 3 1 307.526 3.375 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510355 1106086352 /nfs/dbraw/zinc/08/63/52/1106086352.db2.gz NLNNCARJNSNENX-BHIYHBOVSA-N 3 1 307.526 3.375 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510355 1106086360 /nfs/dbraw/zinc/08/63/60/1106086360.db2.gz NLNNCARJNSNENX-BHIYHBOVSA-N 3 1 307.526 3.375 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510355 1106086364 /nfs/dbraw/zinc/08/63/64/1106086364.db2.gz NLNNCARJNSNENX-BHIYHBOVSA-N 3 1 307.526 3.375 20 0 DGADMP COc1ccc(CC(C)(C)C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254511507 1106086989 /nfs/dbraw/zinc/08/69/89/1106086989.db2.gz BEZGEYUHRDIHHP-QGZVFWFLSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccccc1CC1([NH2+][C@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254510947 1106087043 /nfs/dbraw/zinc/08/70/43/1106087043.db2.gz RVHIBOZXISZSJU-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC001254508232 1106087453 /nfs/dbraw/zinc/08/74/53/1106087453.db2.gz PMPNRBFYSGKHNC-CQSZACIVSA-N 2 1 300.368 3.322 20 0 DGADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254519509 1106089792 /nfs/dbraw/zinc/08/97/92/1106089792.db2.gz IWZOWWHNYHHNMQ-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001254516759 1106091413 /nfs/dbraw/zinc/09/14/13/1106091413.db2.gz OVBKSINPESCVSP-MRXNPFEDSA-N 2 1 313.445 3.492 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254523962 1106091999 /nfs/dbraw/zinc/09/19/99/1106091999.db2.gz STXSNTLQWFHKJR-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254523962 1106092007 /nfs/dbraw/zinc/09/20/07/1106092007.db2.gz STXSNTLQWFHKJR-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254523962 1106092011 /nfs/dbraw/zinc/09/20/11/1106092011.db2.gz STXSNTLQWFHKJR-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254523962 1106092016 /nfs/dbraw/zinc/09/20/16/1106092016.db2.gz STXSNTLQWFHKJR-AEFFLSMTSA-N 2 1 320.502 3.269 20 0 DGADMP Cc1cccc(OC2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254525832 1106093509 /nfs/dbraw/zinc/09/35/09/1106093509.db2.gz NEWMPZZHIJCXAC-QGZVFWFLSA-N 2 1 302.462 3.323 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254524466 1106093604 /nfs/dbraw/zinc/09/36/04/1106093604.db2.gz CAOLGMFJPIUOKL-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524466 1106093607 /nfs/dbraw/zinc/09/36/07/1106093607.db2.gz CAOLGMFJPIUOKL-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524466 1106093611 /nfs/dbraw/zinc/09/36/11/1106093611.db2.gz CAOLGMFJPIUOKL-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530242 1106095485 /nfs/dbraw/zinc/09/54/85/1106095485.db2.gz VPJKHFHGTAYLGT-OWCLPIDISA-N 2 1 322.456 3.001 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530242 1106095490 /nfs/dbraw/zinc/09/54/90/1106095490.db2.gz VPJKHFHGTAYLGT-OWCLPIDISA-N 2 1 322.456 3.001 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530242 1106095497 /nfs/dbraw/zinc/09/54/97/1106095497.db2.gz VPJKHFHGTAYLGT-OWCLPIDISA-N 2 1 322.456 3.001 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530242 1106095503 /nfs/dbraw/zinc/09/55/03/1106095503.db2.gz VPJKHFHGTAYLGT-OWCLPIDISA-N 2 1 322.456 3.001 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)CC1 ZINC001254532151 1106096836 /nfs/dbraw/zinc/09/68/36/1106096836.db2.gz QGYCMXGURWSFFM-FQEVSTJZSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CCCN(C)CC3)CC2)CC1 ZINC001254532151 1106096840 /nfs/dbraw/zinc/09/68/40/1106096840.db2.gz QGYCMXGURWSFFM-FQEVSTJZSA-N 2 1 321.553 3.305 20 0 DGADMP CC(C)[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255106907 1106181917 /nfs/dbraw/zinc/18/19/17/1106181917.db2.gz CDHHEQDXRODVCX-VAMGGRTRSA-N 2 1 315.505 3.241 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123137 1106184045 /nfs/dbraw/zinc/18/40/45/1106184045.db2.gz YKACIDRQIJCLKF-AEEMCCEDSA-N 2 1 316.489 3.179 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC001255123257 1106184269 /nfs/dbraw/zinc/18/42/69/1106184269.db2.gz QHNDWRQZJUXGQH-ACDBMABISA-N 2 1 307.441 3.367 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC001255123257 1106184270 /nfs/dbraw/zinc/18/42/70/1106184270.db2.gz QHNDWRQZJUXGQH-ACDBMABISA-N 2 1 307.441 3.367 20 0 DGADMP O[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125021 1106185281 /nfs/dbraw/zinc/18/52/81/1106185281.db2.gz QKUOVHRDXZAMTG-IVDHNXQLSA-N 2 1 314.473 3.075 20 0 DGADMP COCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001255124758 1106185529 /nfs/dbraw/zinc/18/55/29/1106185529.db2.gz NUNAKCIMLXBNIT-REPLKXPHSA-N 2 1 314.473 3.341 20 0 DGADMP c1nocc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130826 1106186277 /nfs/dbraw/zinc/18/62/77/1106186277.db2.gz BEKVURBYZHLAFI-REPLKXPHSA-N 2 1 311.429 3.002 20 0 DGADMP OC[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135727 1106186356 /nfs/dbraw/zinc/18/63/56/1106186356.db2.gz FHQUCVPAIMIXMM-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135727 1106186358 /nfs/dbraw/zinc/18/63/58/1106186358.db2.gz FHQUCVPAIMIXMM-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135727 1106186360 /nfs/dbraw/zinc/18/63/60/1106186360.db2.gz FHQUCVPAIMIXMM-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135727 1106186363 /nfs/dbraw/zinc/18/63/63/1106186363.db2.gz FHQUCVPAIMIXMM-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP [NH3+]Cc1ncccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130326 1106186572 /nfs/dbraw/zinc/18/65/72/1106186572.db2.gz SVUWHBAHYGWTEU-NNZMDNLPSA-N 2 1 322.456 3.148 20 0 DGADMP O[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135909 1106187408 /nfs/dbraw/zinc/18/74/08/1106187408.db2.gz GCYVCQKWYSEXHP-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135909 1106187409 /nfs/dbraw/zinc/18/74/09/1106187409.db2.gz GCYVCQKWYSEXHP-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135909 1106187410 /nfs/dbraw/zinc/18/74/10/1106187410.db2.gz GCYVCQKWYSEXHP-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137391 1106187642 /nfs/dbraw/zinc/18/76/42/1106187642.db2.gz QMTWXNIPGVAHKQ-ZRNYENFQSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137391 1106187646 /nfs/dbraw/zinc/18/76/46/1106187646.db2.gz QMTWXNIPGVAHKQ-ZRNYENFQSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137391 1106187649 /nfs/dbraw/zinc/18/76/49/1106187649.db2.gz QMTWXNIPGVAHKQ-ZRNYENFQSA-N 2 1 314.473 3.150 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCSC2)CC1 ZINC001255275691 1106214320 /nfs/dbraw/zinc/21/43/20/1106214320.db2.gz MRFKIYHNNXOFRT-BRWVUGGUSA-N 2 1 308.466 3.403 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255292629 1106216590 /nfs/dbraw/zinc/21/65/90/1106216590.db2.gz HATQWLRELLBJGE-KRWDZBQOSA-N 2 1 308.466 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255292629 1106216592 /nfs/dbraw/zinc/21/65/92/1106216592.db2.gz HATQWLRELLBJGE-KRWDZBQOSA-N 2 1 308.466 3.227 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001255339008 1106226733 /nfs/dbraw/zinc/22/67/33/1106226733.db2.gz LAVDLRAKQWDACV-XMTFNYHQSA-N 2 1 324.509 3.066 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](NCCC[NH+]3CCCC3)CC2)cc1 ZINC001255375557 1106235753 /nfs/dbraw/zinc/23/57/53/1106235753.db2.gz FPVGOBYTZZDCEI-HXUWFJFHSA-N 2 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC001255375557 1106235757 /nfs/dbraw/zinc/23/57/57/1106235757.db2.gz FPVGOBYTZZDCEI-HXUWFJFHSA-N 3 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC001255375557 1106235762 /nfs/dbraw/zinc/23/57/62/1106235762.db2.gz FPVGOBYTZZDCEI-HXUWFJFHSA-N 3 1 315.505 3.117 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388005 1106239010 /nfs/dbraw/zinc/23/90/10/1106239010.db2.gz XESUSEXYLVVVFE-MOPGFXCFSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394621 1106240476 /nfs/dbraw/zinc/24/04/76/1106240476.db2.gz WPBUTXZPNVNPEM-LPHOPBHVSA-N 2 1 312.461 3.125 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394621 1106240480 /nfs/dbraw/zinc/24/04/80/1106240480.db2.gz WPBUTXZPNVNPEM-LPHOPBHVSA-N 2 1 312.461 3.125 20 0 DGADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255396723 1106240789 /nfs/dbraw/zinc/24/07/89/1106240789.db2.gz AVDWJRKUQBUIFL-UFYCRDLUSA-N 2 1 316.489 3.276 20 0 DGADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255396723 1106240790 /nfs/dbraw/zinc/24/07/90/1106240790.db2.gz AVDWJRKUQBUIFL-UFYCRDLUSA-N 2 1 316.489 3.276 20 0 DGADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396723 1106240792 /nfs/dbraw/zinc/24/07/92/1106240792.db2.gz AVDWJRKUQBUIFL-UFYCRDLUSA-N 2 1 316.489 3.276 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3CC34CCOCC4)CC2)cc1 ZINC001255394162 1106240976 /nfs/dbraw/zinc/24/09/76/1106240976.db2.gz SNVSXGUZAWAYRY-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001255392899 1106241147 /nfs/dbraw/zinc/24/11/47/1106241147.db2.gz MTQCWERTOZEBBV-RTBURBONSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001255397287 1106241659 /nfs/dbraw/zinc/24/16/59/1106241659.db2.gz DUICDSOBZONXQA-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001255397287 1106241664 /nfs/dbraw/zinc/24/16/64/1106241664.db2.gz DUICDSOBZONXQA-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001255397287 1106241667 /nfs/dbraw/zinc/24/16/67/1106241667.db2.gz DUICDSOBZONXQA-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001255399434 1106242206 /nfs/dbraw/zinc/24/22/06/1106242206.db2.gz RVKWVFKFEOKOKM-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001255399434 1106242208 /nfs/dbraw/zinc/24/22/08/1106242208.db2.gz RVKWVFKFEOKOKM-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001255399434 1106242213 /nfs/dbraw/zinc/24/22/13/1106242213.db2.gz RVKWVFKFEOKOKM-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP CN1CCC[C@@](C)([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399049 1106242347 /nfs/dbraw/zinc/24/23/47/1106242347.db2.gz ZCKWIVMDAQODAP-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@@](C)(N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399049 1106242352 /nfs/dbraw/zinc/24/23/52/1106242352.db2.gz ZCKWIVMDAQODAP-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@@](C)(N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399049 1106242360 /nfs/dbraw/zinc/24/23/60/1106242360.db2.gz ZCKWIVMDAQODAP-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@](C)(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399049 1106242362 /nfs/dbraw/zinc/24/23/62/1106242362.db2.gz ZCKWIVMDAQODAP-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@](C)(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399049 1106242366 /nfs/dbraw/zinc/24/23/66/1106242366.db2.gz ZCKWIVMDAQODAP-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399222 1106242718 /nfs/dbraw/zinc/24/27/18/1106242718.db2.gz PDHRIHWBOAUFSB-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399222 1106242719 /nfs/dbraw/zinc/24/27/19/1106242719.db2.gz PDHRIHWBOAUFSB-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399222 1106242722 /nfs/dbraw/zinc/24/27/22/1106242722.db2.gz PDHRIHWBOAUFSB-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398320 1106243204 /nfs/dbraw/zinc/24/32/04/1106243204.db2.gz JNSWTVASMAWJQM-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398320 1106243209 /nfs/dbraw/zinc/24/32/09/1106243209.db2.gz JNSWTVASMAWJQM-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398320 1106243214 /nfs/dbraw/zinc/24/32/14/1106243214.db2.gz JNSWTVASMAWJQM-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP COC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399214 1106243667 /nfs/dbraw/zinc/24/36/67/1106243667.db2.gz OYADGWNRULPRFB-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP COCC[N@@H+](C(C)C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255402171 1106244996 /nfs/dbraw/zinc/24/49/96/1106244996.db2.gz FRIGWWLHQMWVSM-LJQANCHMSA-N 2 1 304.478 3.398 20 0 DGADMP COCC[NH+](C(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255402171 1106244999 /nfs/dbraw/zinc/24/49/99/1106244999.db2.gz FRIGWWLHQMWVSM-LJQANCHMSA-N 2 1 304.478 3.398 20 0 DGADMP COCC[NH+](C(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402171 1106245001 /nfs/dbraw/zinc/24/50/01/1106245001.db2.gz FRIGWWLHQMWVSM-LJQANCHMSA-N 2 1 304.478 3.398 20 0 DGADMP CCC1(O)CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406214 1106245785 /nfs/dbraw/zinc/24/57/85/1106245785.db2.gz QMXSOLBTJUBUGI-IBGZPJMESA-N 2 1 316.489 3.278 20 0 DGADMP CC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406830 1106246297 /nfs/dbraw/zinc/24/62/97/1106246297.db2.gz UMBMMGSKLDKXDM-VQTJNVASSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406830 1106246301 /nfs/dbraw/zinc/24/63/01/1106246301.db2.gz UMBMMGSKLDKXDM-VQTJNVASSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406830 1106246304 /nfs/dbraw/zinc/24/63/04/1106246304.db2.gz UMBMMGSKLDKXDM-VQTJNVASSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406830 1106246306 /nfs/dbraw/zinc/24/63/06/1106246306.db2.gz UMBMMGSKLDKXDM-VQTJNVASSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001255406480 1106247132 /nfs/dbraw/zinc/24/71/32/1106247132.db2.gz SONKURISOQBIGK-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001255406480 1106247135 /nfs/dbraw/zinc/24/71/35/1106247135.db2.gz SONKURISOQBIGK-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001255406480 1106247140 /nfs/dbraw/zinc/24/71/40/1106247140.db2.gz SONKURISOQBIGK-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP COC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001255461944 1106254398 /nfs/dbraw/zinc/25/43/98/1106254398.db2.gz RZPGUHNVVUXREH-VCWRXUFXSA-N 2 1 314.473 3.008 20 0 DGADMP COC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001255461944 1106254399 /nfs/dbraw/zinc/25/43/99/1106254399.db2.gz RZPGUHNVVUXREH-VCWRXUFXSA-N 2 1 314.473 3.008 20 0 DGADMP COC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001255461944 1106254404 /nfs/dbraw/zinc/25/44/04/1106254404.db2.gz RZPGUHNVVUXREH-VCWRXUFXSA-N 2 1 314.473 3.008 20 0 DGADMP CN1CCC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478006 1106256676 /nfs/dbraw/zinc/25/66/76/1106256676.db2.gz SMCNAAXFLRPTGZ-GUDVDZBRSA-N 2 1 307.526 3.233 20 0 DGADMP COC[C@@H](C)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001255562343 1106270963 /nfs/dbraw/zinc/27/09/63/1106270963.db2.gz VVDUWRQQOJUJSX-SCIHAYMKSA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001255582936 1106273350 /nfs/dbraw/zinc/27/33/50/1106273350.db2.gz FDLXHOUBVYUOSO-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255582936 1106273355 /nfs/dbraw/zinc/27/33/55/1106273355.db2.gz FDLXHOUBVYUOSO-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255582936 1106273357 /nfs/dbraw/zinc/27/33/57/1106273357.db2.gz FDLXHOUBVYUOSO-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COc1cc2c(cc1C)C[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255669151 1106291073 /nfs/dbraw/zinc/29/10/73/1106291073.db2.gz QQGVQZHKTQQERH-QBUWPKIASA-N 2 1 314.473 3.076 20 0 DGADMP COc1cc2c(cc1C)C[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255669151 1106291077 /nfs/dbraw/zinc/29/10/77/1106291077.db2.gz QQGVQZHKTQQERH-QBUWPKIASA-N 2 1 314.473 3.076 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255677484 1106292823 /nfs/dbraw/zinc/29/28/23/1106292823.db2.gz VJQZHUWYTUQXJJ-RIJRJKGBSA-N 2 1 315.461 3.311 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255677484 1106292827 /nfs/dbraw/zinc/29/28/27/1106292827.db2.gz VJQZHUWYTUQXJJ-RIJRJKGBSA-N 2 1 315.461 3.311 20 0 DGADMP C[C@@H](Cc1ccccc1F)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001255841636 1106326318 /nfs/dbraw/zinc/32/63/18/1106326318.db2.gz WIILBXWKXFMNTQ-HNNXBMFYSA-N 3 1 323.500 3.232 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCCCCC1)C2 ZINC001255888764 1106339011 /nfs/dbraw/zinc/33/90/11/1106339011.db2.gz DMCCZUYRQTYETA-UYAOXDASSA-N 2 1 320.521 3.390 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCCCCC1)C2 ZINC001255888764 1106339016 /nfs/dbraw/zinc/33/90/16/1106339016.db2.gz DMCCZUYRQTYETA-UYAOXDASSA-N 2 1 320.521 3.390 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC001255941234 1106345432 /nfs/dbraw/zinc/34/54/32/1106345432.db2.gz LVAUMRQAQSXURK-HUUCEWRRSA-N 2 1 306.450 3.229 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001255948012 1106347317 /nfs/dbraw/zinc/34/73/17/1106347317.db2.gz CKCIBUNFZZAKRH-PISSXIKFSA-N 2 1 321.553 3.336 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001255948012 1106347320 /nfs/dbraw/zinc/34/73/20/1106347320.db2.gz CKCIBUNFZZAKRH-PISSXIKFSA-N 2 1 321.553 3.336 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(-c2ncccn2)cc1 ZINC001255950600 1106347387 /nfs/dbraw/zinc/34/73/87/1106347387.db2.gz BFENATSAMQUTBH-INIZCTEOSA-N 2 1 312.461 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001255954202 1106349128 /nfs/dbraw/zinc/34/91/28/1106349128.db2.gz BADYROOEYBNSCG-KRWDZBQOSA-N 2 1 321.484 3.064 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncn1Cc1ccccc1 ZINC001255953570 1106349184 /nfs/dbraw/zinc/34/91/84/1106349184.db2.gz SQHZSZQYLICTKV-KRWDZBQOSA-N 2 1 314.477 3.141 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001255954203 1106349287 /nfs/dbraw/zinc/34/92/87/1106349287.db2.gz BADYROOEYBNSCG-QGZVFWFLSA-N 2 1 321.484 3.064 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001255960186 1106349632 /nfs/dbraw/zinc/34/96/32/1106349632.db2.gz FSKNPEBGYBPFAS-OAHLLOKOSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001255960186 1106349634 /nfs/dbraw/zinc/34/96/34/1106349634.db2.gz FSKNPEBGYBPFAS-OAHLLOKOSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001255956047 1106349946 /nfs/dbraw/zinc/34/99/46/1106349946.db2.gz GGHQMUFBVZJECH-OAHLLOKOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001255956047 1106349950 /nfs/dbraw/zinc/34/99/50/1106349950.db2.gz GGHQMUFBVZJECH-OAHLLOKOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001255964640 1106351093 /nfs/dbraw/zinc/35/10/93/1106351093.db2.gz AEMJFFWGOKTSHF-SFHVURJKSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001255964640 1106351098 /nfs/dbraw/zinc/35/10/98/1106351098.db2.gz AEMJFFWGOKTSHF-SFHVURJKSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001255961465 1106351111 /nfs/dbraw/zinc/35/11/11/1106351111.db2.gz NBDIRWZHYXNORR-HKUYNNGSSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001255960898 1106351219 /nfs/dbraw/zinc/35/12/19/1106351219.db2.gz JOTQDIBGHCZNHP-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001255960898 1106351224 /nfs/dbraw/zinc/35/12/24/1106351224.db2.gz JOTQDIBGHCZNHP-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965763 1106352002 /nfs/dbraw/zinc/35/20/02/1106352002.db2.gz INOMDEHJSCTFGL-QYZOEREBSA-N 2 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255965763 1106352005 /nfs/dbraw/zinc/35/20/05/1106352005.db2.gz INOMDEHJSCTFGL-QYZOEREBSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255965763 1106352009 /nfs/dbraw/zinc/35/20/09/1106352009.db2.gz INOMDEHJSCTFGL-QYZOEREBSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255965763 1106352013 /nfs/dbraw/zinc/35/20/13/1106352013.db2.gz INOMDEHJSCTFGL-QYZOEREBSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965763 1106352014 /nfs/dbraw/zinc/35/20/14/1106352014.db2.gz INOMDEHJSCTFGL-QYZOEREBSA-N 3 1 309.542 3.446 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H](C)CC[NH+](CC)CC)C[C@@H]1C ZINC001255968597 1106352178 /nfs/dbraw/zinc/35/21/78/1106352178.db2.gz CSDGBSNLKOCTKU-ULQDDVLXSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001255968804 1106352250 /nfs/dbraw/zinc/35/22/50/1106352250.db2.gz JDYNXUJZEZISRU-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001255968804 1106352254 /nfs/dbraw/zinc/35/22/54/1106352254.db2.gz JDYNXUJZEZISRU-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP Clc1cc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)ccn1 ZINC001256069913 1106363910 /nfs/dbraw/zinc/36/39/10/1106363910.db2.gz RGLYGWJOXMWTPV-QGZVFWFLSA-N 2 1 305.853 3.403 20 0 DGADMP Clc1cncc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256071545 1106364410 /nfs/dbraw/zinc/36/44/10/1106364410.db2.gz CZBRDESWAJSMNF-KRWDZBQOSA-N 2 1 305.853 3.403 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256081735 1106367414 /nfs/dbraw/zinc/36/74/14/1106367414.db2.gz LPXATVCYDUCXJZ-MRXNPFEDSA-N 2 1 300.446 3.111 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256081735 1106367417 /nfs/dbraw/zinc/36/74/17/1106367417.db2.gz LPXATVCYDUCXJZ-MRXNPFEDSA-N 2 1 300.446 3.111 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@@H](CCC[NH3+])C2)c1 ZINC001256156125 1106380454 /nfs/dbraw/zinc/38/04/54/1106380454.db2.gz LOVHDFGUILRUIN-IRXDYDNUSA-N 2 1 304.478 3.467 20 0 DGADMP COc1cccc2c1CC[C@H](CCC[NH2+]C1CC[NH+](C)CC1)C2 ZINC001256201253 1106389962 /nfs/dbraw/zinc/38/99/62/1106389962.db2.gz AICZDZXBEQENIH-INIZCTEOSA-N 2 1 316.489 3.264 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](c2cccnc2C(F)(F)F)C2CC2)CC1 ZINC001256201726 1106389976 /nfs/dbraw/zinc/38/99/76/1106389976.db2.gz LNLHLCHXPYCXQX-CQSZACIVSA-N 2 1 313.367 3.235 20 0 DGADMP COc1ccccc1CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256204614 1106390259 /nfs/dbraw/zinc/39/02/59/1106390259.db2.gz UAUQGMAZMPYSCB-UHFFFAOYSA-N 2 1 302.462 3.044 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001256353403 1106408579 /nfs/dbraw/zinc/40/85/79/1106408579.db2.gz TXBGOIOYUJIMRZ-SFHVURJKSA-N 2 1 317.521 3.348 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001256354299 1106408602 /nfs/dbraw/zinc/40/86/02/1106408602.db2.gz GSPGEUUNQPPNPJ-SYJJWHGVSA-N 2 1 312.498 3.383 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001256354298 1106408616 /nfs/dbraw/zinc/40/86/16/1106408616.db2.gz GSPGEUUNQPPNPJ-KSTDHSDQSA-N 2 1 312.498 3.383 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001256407382 1106416714 /nfs/dbraw/zinc/41/67/14/1106416714.db2.gz XKMGUCGHJGWHSH-OAHLLOKOSA-N 2 1 313.420 3.102 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC001256521893 1106433504 /nfs/dbraw/zinc/43/35/04/1106433504.db2.gz AUQYIDCUELNDHF-HKUYNNGSSA-N 2 1 311.473 3.476 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC001256521893 1106433508 /nfs/dbraw/zinc/43/35/08/1106433508.db2.gz AUQYIDCUELNDHF-HKUYNNGSSA-N 2 1 311.473 3.476 20 0 DGADMP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256526578 1106434142 /nfs/dbraw/zinc/43/41/42/1106434142.db2.gz MWXIEAQSDWQWDK-LPHOPBHVSA-N 2 1 322.456 3.440 20 0 DGADMP C[C@@H]1C[C@@H](Nc2ccc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC001256528833 1106434743 /nfs/dbraw/zinc/43/47/43/1106434743.db2.gz MHRCVLKEFVBFIY-WBVHZDCISA-N 2 1 310.445 3.005 20 0 DGADMP C[C@@H]1C[C@H](NC(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256532000 1106435138 /nfs/dbraw/zinc/43/51/38/1106435138.db2.gz WMMCNOXUCCXKJY-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC001256532000 1106435142 /nfs/dbraw/zinc/43/51/42/1106435142.db2.gz WMMCNOXUCCXKJY-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256532284 1106435325 /nfs/dbraw/zinc/43/53/25/1106435325.db2.gz XCAYBMDVACWRSN-QRQLOZEOSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001256532284 1106435328 /nfs/dbraw/zinc/43/53/28/1106435328.db2.gz XCAYBMDVACWRSN-QRQLOZEOSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]1C[C@@H](NC(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256531997 1106435337 /nfs/dbraw/zinc/43/53/37/1106435337.db2.gz WMMCNOXUCCXKJY-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC001256531997 1106435339 /nfs/dbraw/zinc/43/53/39/1106435339.db2.gz WMMCNOXUCCXKJY-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535740 1106436343 /nfs/dbraw/zinc/43/63/43/1106436343.db2.gz AKBWLPUNLDSKDS-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535740 1106436345 /nfs/dbraw/zinc/43/63/45/1106436345.db2.gz AKBWLPUNLDSKDS-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535740 1106436347 /nfs/dbraw/zinc/43/63/47/1106436347.db2.gz AKBWLPUNLDSKDS-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535740 1106436349 /nfs/dbraw/zinc/43/63/49/1106436349.db2.gz AKBWLPUNLDSKDS-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP COC[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536833 1106436424 /nfs/dbraw/zinc/43/64/24/1106436424.db2.gz GJQJYZQLXFRUED-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536833 1106436426 /nfs/dbraw/zinc/43/64/26/1106436426.db2.gz GJQJYZQLXFRUED-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536833 1106436428 /nfs/dbraw/zinc/43/64/28/1106436428.db2.gz GJQJYZQLXFRUED-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536833 1106436430 /nfs/dbraw/zinc/43/64/30/1106436430.db2.gz GJQJYZQLXFRUED-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001256535098 1106436514 /nfs/dbraw/zinc/43/65/14/1106436514.db2.gz CQCAMCVNEXCYSC-OJAHFUOMSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001256535098 1106436517 /nfs/dbraw/zinc/43/65/17/1106436517.db2.gz CQCAMCVNEXCYSC-OJAHFUOMSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536799 1106436827 /nfs/dbraw/zinc/43/68/27/1106436827.db2.gz FYTPLXJBSNYVDF-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536799 1106436829 /nfs/dbraw/zinc/43/68/29/1106436829.db2.gz FYTPLXJBSNYVDF-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536799 1106436831 /nfs/dbraw/zinc/43/68/31/1106436831.db2.gz FYTPLXJBSNYVDF-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536799 1106436835 /nfs/dbraw/zinc/43/68/35/1106436835.db2.gz FYTPLXJBSNYVDF-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H](n2ccnc2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537560 1106437928 /nfs/dbraw/zinc/43/79/28/1106437928.db2.gz ODKFDRBKZZFUBP-SJLPKXTDSA-N 2 1 312.461 3.000 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539565 1106438048 /nfs/dbraw/zinc/43/80/48/1106438048.db2.gz VTCGNOIMBFUTHR-LEAZDLGRSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539565 1106438049 /nfs/dbraw/zinc/43/80/49/1106438049.db2.gz VTCGNOIMBFUTHR-LEAZDLGRSA-N 2 1 316.489 3.323 20 0 DGADMP CCC[N@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537595 1106438258 /nfs/dbraw/zinc/43/82/58/1106438258.db2.gz OOZWJXACZMGWGY-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[N@@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537595 1106438261 /nfs/dbraw/zinc/43/82/61/1106438261.db2.gz OOZWJXACZMGWGY-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537595 1106438264 /nfs/dbraw/zinc/43/82/64/1106438264.db2.gz OOZWJXACZMGWGY-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537595 1106438265 /nfs/dbraw/zinc/43/82/65/1106438265.db2.gz OOZWJXACZMGWGY-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CO[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540011 1106438479 /nfs/dbraw/zinc/43/84/79/1106438479.db2.gz ZDLDJGHKETWHCF-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540011 1106438481 /nfs/dbraw/zinc/43/84/81/1106438481.db2.gz ZDLDJGHKETWHCF-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540011 1106438485 /nfs/dbraw/zinc/43/84/85/1106438485.db2.gz ZDLDJGHKETWHCF-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540011 1106438490 /nfs/dbraw/zinc/43/84/90/1106438490.db2.gz ZDLDJGHKETWHCF-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H](n2ccnc2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537561 1106438553 /nfs/dbraw/zinc/43/85/53/1106438553.db2.gz ODKFDRBKZZFUBP-WMZOPIPTSA-N 2 1 312.461 3.000 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544147 1106439515 /nfs/dbraw/zinc/43/95/15/1106439515.db2.gz WNCCTWSLZXNLNT-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544147 1106439518 /nfs/dbraw/zinc/43/95/18/1106439518.db2.gz WNCCTWSLZXNLNT-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544147 1106439520 /nfs/dbraw/zinc/43/95/20/1106439520.db2.gz WNCCTWSLZXNLNT-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544147 1106439522 /nfs/dbraw/zinc/43/95/22/1106439522.db2.gz WNCCTWSLZXNLNT-RLLQIKCJSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551134 1106440620 /nfs/dbraw/zinc/44/06/20/1106440620.db2.gz PVUJTDOLPHNHMZ-YZGWKJHDSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1Cc1ccccc1 ZINC001256551641 1106440698 /nfs/dbraw/zinc/44/06/98/1106440698.db2.gz SWWNRCZWJQWIOI-BHNDVYRESA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256551641 1106440700 /nfs/dbraw/zinc/44/07/00/1106440700.db2.gz SWWNRCZWJQWIOI-BHNDVYRESA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256551641 1106440703 /nfs/dbraw/zinc/44/07/03/1106440703.db2.gz SWWNRCZWJQWIOI-BHNDVYRESA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551641 1106440704 /nfs/dbraw/zinc/44/07/04/1106440704.db2.gz SWWNRCZWJQWIOI-BHNDVYRESA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551641 1106440707 /nfs/dbraw/zinc/44/07/07/1106440707.db2.gz SWWNRCZWJQWIOI-BHNDVYRESA-N 2 1 302.437 3.472 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001256558037 1106443587 /nfs/dbraw/zinc/44/35/87/1106443587.db2.gz GMEQGMDKASEDAZ-UHFFFAOYSA-N 2 1 315.383 3.453 20 0 DGADMP C[C@H]1C[C@H](N2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555358 1106443974 /nfs/dbraw/zinc/44/39/74/1106443974.db2.gz UGJHJGAKKWXBHR-PKOBYXMFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H](N2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555358 1106443976 /nfs/dbraw/zinc/44/39/76/1106443976.db2.gz UGJHJGAKKWXBHR-PKOBYXMFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H](N2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555358 1106443977 /nfs/dbraw/zinc/44/39/77/1106443977.db2.gz UGJHJGAKKWXBHR-PKOBYXMFSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)(C)N1CCC([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001256562602 1106446043 /nfs/dbraw/zinc/44/60/43/1106446043.db2.gz XPZMMPSKBAYGNV-APWZRJJASA-N 2 1 309.542 3.383 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(Oc3ccncc3)CC2)CC1 ZINC001256569907 1106447466 /nfs/dbraw/zinc/44/74/66/1106447466.db2.gz RUTMXEWWJNVSGK-UHFFFAOYSA-N 2 1 317.477 3.188 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001256572752 1106448456 /nfs/dbraw/zinc/44/84/56/1106448456.db2.gz WWLIECGXRMVFBH-SFHVURJKSA-N 2 1 317.477 3.188 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001256572752 1106448458 /nfs/dbraw/zinc/44/84/58/1106448458.db2.gz WWLIECGXRMVFBH-SFHVURJKSA-N 2 1 317.477 3.188 20 0 DGADMP c1cnn(C2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001256609912 1106453743 /nfs/dbraw/zinc/45/37/43/1106453743.db2.gz UKQPTVRXSGGHKT-UHFFFAOYSA-N 2 1 324.472 3.185 20 0 DGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256616145 1106454505 /nfs/dbraw/zinc/45/45/05/1106454505.db2.gz KKTHAXHYGRNAEY-JTUUTPGSSA-N 2 1 310.445 3.368 20 0 DGADMP COc1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001256625939 1106455830 /nfs/dbraw/zinc/45/58/30/1106455830.db2.gz KDFMITLFHGXJKT-DFNIBXOVSA-N 2 1 314.473 3.500 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccccc1Br ZINC001256826429 1106492825 /nfs/dbraw/zinc/49/28/25/1106492825.db2.gz LFZFTSARHFUJCK-CYBMUJFWSA-N 2 1 313.283 3.441 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256633042 1106458080 /nfs/dbraw/zinc/45/80/80/1106458080.db2.gz NPMDNZDBIRYEHF-QGZVFWFLSA-N 2 1 304.478 3.264 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256633042 1106458082 /nfs/dbraw/zinc/45/80/82/1106458082.db2.gz NPMDNZDBIRYEHF-QGZVFWFLSA-N 2 1 304.478 3.264 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C)C2 ZINC001256643540 1106460555 /nfs/dbraw/zinc/46/05/55/1106460555.db2.gz NUNRFFCUCRKFII-AYBZRNKSSA-N 2 1 316.489 3.261 20 0 DGADMP C[C@H](Cc1ccncc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256732846 1106476061 /nfs/dbraw/zinc/47/60/61/1106476061.db2.gz WHCCCPCZIYAMOB-NSISKUIASA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001256740745 1106478022 /nfs/dbraw/zinc/47/80/22/1106478022.db2.gz YSKPPHZKMCTTDG-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001256740745 1106478024 /nfs/dbraw/zinc/47/80/24/1106478024.db2.gz YSKPPHZKMCTTDG-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256816147 1106488923 /nfs/dbraw/zinc/48/89/23/1106488923.db2.gz GZDRKGVPJFSHHA-OALUTQOASA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256816147 1106488924 /nfs/dbraw/zinc/48/89/24/1106488924.db2.gz GZDRKGVPJFSHHA-OALUTQOASA-N 2 1 302.462 3.323 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256855715 1106497787 /nfs/dbraw/zinc/49/77/87/1106497787.db2.gz TVXUFJVOUMLIET-UHFFFAOYSA-N 2 1 323.440 3.117 20 0 DGADMP c1ccc([C@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC001256860481 1106499088 /nfs/dbraw/zinc/49/90/88/1106499088.db2.gz BTMGOKMSWZRPTA-LJQANCHMSA-N 2 1 308.429 3.283 20 0 DGADMP Cc1ccc2c(c1)CC[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256865262 1106499736 /nfs/dbraw/zinc/49/97/36/1106499736.db2.gz VKLTXGLXOZBBFJ-UHFFFAOYSA-N 2 1 307.441 3.417 20 0 DGADMP O[C@H](CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899402 1106504832 /nfs/dbraw/zinc/50/48/32/1106504832.db2.gz GGXILUPTULJYAE-PKOBYXMFSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+](CCN[C@@H]1CCC[NH+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899784 1106504840 /nfs/dbraw/zinc/50/48/40/1106504840.db2.gz HXRRNYQZOXAMML-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+](CCN[C@@H]1CCC[NH+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899784 1106504841 /nfs/dbraw/zinc/50/48/41/1106504841.db2.gz HXRRNYQZOXAMML-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@@H]1CCC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899784 1106504843 /nfs/dbraw/zinc/50/48/43/1106504843.db2.gz HXRRNYQZOXAMML-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@@H]1CCC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899784 1106504845 /nfs/dbraw/zinc/50/48/45/1106504845.db2.gz HXRRNYQZOXAMML-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)(O)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256901445 1106506003 /nfs/dbraw/zinc/50/60/03/1106506003.db2.gz WLZRTRTXRPQTTH-BRWVUGGUSA-N 2 1 308.510 3.313 20 0 DGADMP CC(C)(O)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256901445 1106506008 /nfs/dbraw/zinc/50/60/08/1106506008.db2.gz WLZRTRTXRPQTTH-BRWVUGGUSA-N 2 1 308.510 3.313 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256906727 1106507741 /nfs/dbraw/zinc/50/77/41/1106507741.db2.gz UOHQKECXPHVMPI-MISYRCLQSA-N 2 1 319.537 3.375 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001257059909 1106531340 /nfs/dbraw/zinc/53/13/40/1106531340.db2.gz IPEZZXAQXKYIDO-KURKYZTESA-N 2 1 322.493 3.059 20 0 DGADMP C[C@H]1CC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C[C@H](C)O1 ZINC001257081386 1106535504 /nfs/dbraw/zinc/53/55/04/1106535504.db2.gz RHKHOEVUIXMZLV-KBPBESRZSA-N 2 1 306.425 3.032 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001257217567 1106553694 /nfs/dbraw/zinc/55/36/94/1106553694.db2.gz SXYIIYWXTDUSPI-YZGWKJHDSA-N 2 1 320.521 3.386 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001257217567 1106553696 /nfs/dbraw/zinc/55/36/96/1106553696.db2.gz SXYIIYWXTDUSPI-YZGWKJHDSA-N 2 1 320.521 3.386 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001257223234 1106554123 /nfs/dbraw/zinc/55/41/23/1106554123.db2.gz NMJWZNVEOARQNP-GOSISDBHSA-N 2 1 306.425 3.152 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001257223234 1106554126 /nfs/dbraw/zinc/55/41/26/1106554126.db2.gz NMJWZNVEOARQNP-GOSISDBHSA-N 2 1 306.425 3.152 20 0 DGADMP CC(C)c1noc([C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221936 1106554380 /nfs/dbraw/zinc/55/43/80/1106554380.db2.gz LZSSHFPXJAQMKS-OAHLLOKOSA-N 2 1 320.481 3.245 20 0 DGADMP CC(C)c1noc([C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221936 1106554381 /nfs/dbraw/zinc/55/43/81/1106554381.db2.gz LZSSHFPXJAQMKS-OAHLLOKOSA-N 2 1 320.481 3.245 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001257222223 1106554558 /nfs/dbraw/zinc/55/45/58/1106554558.db2.gz XTPAESWDEPTUDD-KRWDZBQOSA-N 2 1 302.462 3.357 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001257223235 1106554681 /nfs/dbraw/zinc/55/46/81/1106554681.db2.gz NMJWZNVEOARQNP-SFHVURJKSA-N 2 1 306.425 3.152 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001257223235 1106554683 /nfs/dbraw/zinc/55/46/83/1106554683.db2.gz NMJWZNVEOARQNP-SFHVURJKSA-N 2 1 306.425 3.152 20 0 DGADMP CCC[C@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001257310285 1106565213 /nfs/dbraw/zinc/56/52/13/1106565213.db2.gz TWUFMJQNGQLBNZ-WDSOQIARSA-N 2 1 307.526 3.103 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+]CC[N@H+](CC)CCCC ZINC001257387907 1106578773 /nfs/dbraw/zinc/57/87/73/1106578773.db2.gz JTKXWGDLBSHGOF-INIZCTEOSA-N 2 1 300.487 3.210 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+]CC[N@@H+](CC)CCCC ZINC001257387907 1106578776 /nfs/dbraw/zinc/57/87/76/1106578776.db2.gz JTKXWGDLBSHGOF-INIZCTEOSA-N 2 1 300.487 3.210 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257389102 1106579647 /nfs/dbraw/zinc/57/96/47/1106579647.db2.gz WXPOKODFDDRJIQ-KBAYOESNSA-N 2 1 324.509 3.480 20 0 DGADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC001257402505 1106582158 /nfs/dbraw/zinc/58/21/58/1106582158.db2.gz DICNRFHFFVYVBR-GPANFISMSA-N 2 1 312.498 3.242 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001257441075 1106589948 /nfs/dbraw/zinc/58/99/48/1106589948.db2.gz UTYAMOMAQVQAKG-HOTGVXAUSA-N 2 1 306.450 3.133 20 0 DGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257478484 1106596670 /nfs/dbraw/zinc/59/66/70/1106596670.db2.gz NTHHHQVBXUWYOI-YDZRNGNQSA-N 2 1 309.542 3.302 20 0 DGADMP Cc1noc2ccc(C[NH2+]C3CC[NH+](CC(C)C)CC3)cc12 ZINC001258004127 1106655825 /nfs/dbraw/zinc/65/58/25/1106655825.db2.gz CLZIJVOPADYBBS-UHFFFAOYSA-N 2 1 301.434 3.346 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001258014425 1106658389 /nfs/dbraw/zinc/65/83/89/1106658389.db2.gz JXQHZGQXCDPIFF-LJQANCHMSA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001258014425 1106658390 /nfs/dbraw/zinc/65/83/90/1106658390.db2.gz JXQHZGQXCDPIFF-LJQANCHMSA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC(N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258017542 1106659610 /nfs/dbraw/zinc/65/96/10/1106659610.db2.gz LGXODFFCANRUDE-PMACEKPBSA-N 2 1 321.553 3.446 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001258029883 1106661382 /nfs/dbraw/zinc/66/13/82/1106661382.db2.gz NBXRUKHLMCRGNG-FCCDEINASA-N 2 1 324.509 3.207 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258127496 1106677934 /nfs/dbraw/zinc/67/79/34/1106677934.db2.gz SKROMGADYUMNFG-QZTJIDSGSA-N 2 1 324.509 3.449 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258127498 1106678345 /nfs/dbraw/zinc/67/83/45/1106678345.db2.gz SKROMGADYUMNFG-ZWKOTPCHSA-N 2 1 324.509 3.449 20 0 DGADMP CCO[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145996 1106680031 /nfs/dbraw/zinc/68/00/31/1106680031.db2.gz OHVSCUGXTHEPDW-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP CCO[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145996 1106680034 /nfs/dbraw/zinc/68/00/34/1106680034.db2.gz OHVSCUGXTHEPDW-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP COC1(C)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258140686 1106680256 /nfs/dbraw/zinc/68/02/56/1106680256.db2.gz CIWYLQHVCOOXNE-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP CO[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC001258149834 1106680878 /nfs/dbraw/zinc/68/08/78/1106680878.db2.gz QFCQWHCWIDUYJH-XLIONFOSSA-N 2 1 316.489 3.193 20 0 DGADMP CO[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC001258149834 1106680879 /nfs/dbraw/zinc/68/08/79/1106680879.db2.gz QFCQWHCWIDUYJH-XLIONFOSSA-N 2 1 316.489 3.193 20 0 DGADMP C[C@H](Cc1ccco1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258181837 1106689276 /nfs/dbraw/zinc/68/92/76/1106689276.db2.gz HXMNBDVYGWYRLF-CQSZACIVSA-N 2 1 302.393 3.300 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258193001 1106693289 /nfs/dbraw/zinc/69/32/89/1106693289.db2.gz RVRRSPYRSCZQAN-QRQLOZEOSA-N 2 1 310.441 3.274 20 0 DGADMP C[C@H](Cc1ccco1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258193001 1106693297 /nfs/dbraw/zinc/69/32/97/1106693297.db2.gz RVRRSPYRSCZQAN-QRQLOZEOSA-N 2 1 310.441 3.274 20 0 DGADMP C[C@H](Cc1ccco1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258193001 1106693301 /nfs/dbraw/zinc/69/33/01/1106693301.db2.gz RVRRSPYRSCZQAN-QRQLOZEOSA-N 2 1 310.441 3.274 20 0 DGADMP CSCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258216807 1106698861 /nfs/dbraw/zinc/69/88/61/1106698861.db2.gz IQWUVZHOQVLTQW-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CSCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258216807 1106698865 /nfs/dbraw/zinc/69/88/65/1106698865.db2.gz IQWUVZHOQVLTQW-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CSCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258216807 1106698866 /nfs/dbraw/zinc/69/88/66/1106698866.db2.gz IQWUVZHOQVLTQW-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CSCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258216807 1106698870 /nfs/dbraw/zinc/69/88/70/1106698870.db2.gz IQWUVZHOQVLTQW-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001258409810 1106733719 /nfs/dbraw/zinc/73/37/19/1106733719.db2.gz IGLCICXDFUUPPE-MRXNPFEDSA-N 2 1 302.462 3.186 20 0 DGADMP CC(C)(C)OC(=O)C1([NH2+][C@@H]2CCC(C)(C)C2)CCC([NH3+])CC1 ZINC001258595453 1106834501 /nfs/dbraw/zinc/83/45/01/1106834501.db2.gz WMHGRJSNUWHCDD-TXKKKEFDSA-N 2 1 310.482 3.137 20 0 DGADMP CC1(C)CC[C@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258606414 1106846444 /nfs/dbraw/zinc/84/64/44/1106846444.db2.gz XFXGSJIVKCNSGL-GBESFXJTSA-N 2 1 320.521 3.388 20 0 DGADMP CC1(C)CC[C@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258606414 1106846455 /nfs/dbraw/zinc/84/64/55/1106846455.db2.gz XFXGSJIVKCNSGL-GBESFXJTSA-N 2 1 320.521 3.388 20 0 DGADMP CC1(C)CC[C@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258606414 1106846469 /nfs/dbraw/zinc/84/64/69/1106846469.db2.gz XFXGSJIVKCNSGL-GBESFXJTSA-N 2 1 320.521 3.388 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001258619061 1106856272 /nfs/dbraw/zinc/85/62/72/1106856272.db2.gz NJTMGQLZJCQOFR-OAHLLOKOSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619798 1106858812 /nfs/dbraw/zinc/85/88/12/1106858812.db2.gz XXAWYOQULFMWRZ-VDGAXYAQSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258627121 1106861402 /nfs/dbraw/zinc/86/14/02/1106861402.db2.gz IFERALQUBAWCJO-IEBWSBKVSA-N 2 1 301.478 3.353 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccnc(OC)c2)C2CC2)CC1 ZINC001258770985 1106964436 /nfs/dbraw/zinc/96/44/36/1106964436.db2.gz SMGYSSKKBQQQTR-SFHVURJKSA-N 2 1 303.450 3.005 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258774127 1106967023 /nfs/dbraw/zinc/96/70/23/1106967023.db2.gz JDDKFEFUIJWMKF-GOSISDBHSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258774127 1106967027 /nfs/dbraw/zinc/96/70/27/1106967027.db2.gz JDDKFEFUIJWMKF-GOSISDBHSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2cncc(OC)c2)C2CC2)CC1 ZINC001258771635 1106968966 /nfs/dbraw/zinc/96/89/66/1106968966.db2.gz MIRNXSWUXOWKGC-GOSISDBHSA-N 2 1 303.450 3.005 20 0 DGADMP CCC[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001258773741 1106968987 /nfs/dbraw/zinc/96/89/87/1106968987.db2.gz AKEHOWAYYNSGFN-SFHVURJKSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001258776083 1106970674 /nfs/dbraw/zinc/97/06/74/1106970674.db2.gz SICXZRHSNRDZAG-QGZVFWFLSA-N 2 1 302.462 3.359 20 0 DGADMP CCC[NH+]1CCC([N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001258777836 1106971339 /nfs/dbraw/zinc/97/13/39/1106971339.db2.gz JPUNFVLTTJQULB-UHFFFAOYSA-N 2 1 307.526 3.200 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001258777836 1106971349 /nfs/dbraw/zinc/97/13/49/1106971349.db2.gz JPUNFVLTTJQULB-UHFFFAOYSA-N 2 1 307.526 3.200 20 0 DGADMP C[C@H]1CCC[C@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824532 1107009463 /nfs/dbraw/zinc/00/94/63/1107009463.db2.gz VRUNOCLHZNAHTA-FRYIKTPZSA-N 2 1 320.521 3.388 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824532 1107009477 /nfs/dbraw/zinc/00/94/77/1107009477.db2.gz VRUNOCLHZNAHTA-FRYIKTPZSA-N 2 1 320.521 3.388 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824532 1107009490 /nfs/dbraw/zinc/00/94/90/1107009490.db2.gz VRUNOCLHZNAHTA-FRYIKTPZSA-N 2 1 320.521 3.388 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC001258830516 1107013065 /nfs/dbraw/zinc/01/30/65/1107013065.db2.gz PYOJCEVAAHFYFI-SUMWQHHRSA-N 2 1 302.466 3.231 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258898604 1107046982 /nfs/dbraw/zinc/04/69/82/1107046982.db2.gz MVYMJEGNWGRSAU-CVEARBPZSA-N 2 1 300.487 3.064 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(c2ccccc2F)COC1 ZINC001258900223 1107049367 /nfs/dbraw/zinc/04/93/67/1107049367.db2.gz FXPZNPBITVIVIM-HNNXBMFYSA-N 2 1 308.441 3.151 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1noc(C(C)C)n1 ZINC001258908600 1107054186 /nfs/dbraw/zinc/05/41/86/1107054186.db2.gz YCVXATBIQAJVGR-HNNXBMFYSA-N 2 1 310.486 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC001320601809 1107067237 /nfs/dbraw/zinc/06/72/37/1107067237.db2.gz FVQJHJMJESDRTE-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC001320601809 1107067223 /nfs/dbraw/zinc/06/72/23/1107067223.db2.gz FVQJHJMJESDRTE-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC001320601809 1107067251 /nfs/dbraw/zinc/06/72/51/1107067251.db2.gz FVQJHJMJESDRTE-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC001320601811 1107067895 /nfs/dbraw/zinc/06/78/95/1107067895.db2.gz FVQJHJMJESDRTE-XKQJLSEDSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC001320601811 1107067910 /nfs/dbraw/zinc/06/79/10/1107067910.db2.gz FVQJHJMJESDRTE-XKQJLSEDSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC001320601811 1107067926 /nfs/dbraw/zinc/06/79/26/1107067926.db2.gz FVQJHJMJESDRTE-XKQJLSEDSA-N 2 1 310.869 3.036 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C4CCOCC4)C3)CC2)cc1 ZINC000362398261 1107359081 /nfs/dbraw/zinc/35/90/81/1107359081.db2.gz VODFNGYOBFBYGP-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001261515710 1107457674 /nfs/dbraw/zinc/45/76/74/1107457674.db2.gz QFNYXCCSDLMZNT-RAKLQZGLSA-N 2 1 318.436 3.031 20 0 DGADMP CC[NH+](CC)[C@H](CNc1cc(N)[nH+]cn1)c1ccccc1Cl ZINC001322496158 1107689767 /nfs/dbraw/zinc/68/97/67/1107689767.db2.gz MZBFCNUTEODPBN-CQSZACIVSA-N 2 1 319.840 3.207 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCC3(CCOCC3)CC1)C2 ZINC001262484121 1107716324 /nfs/dbraw/zinc/71/63/24/1107716324.db2.gz WTUZVQUXEUHQIE-JLYLLQBASA-N 2 1 318.505 3.473 20 0 DGADMP CC[N@@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520210 1107996311 /nfs/dbraw/zinc/99/63/11/1107996311.db2.gz JTHLCPVTWOOJIT-RHSMWYFYSA-N 2 1 306.425 3.061 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520210 1107996325 /nfs/dbraw/zinc/99/63/25/1107996325.db2.gz JTHLCPVTWOOJIT-RHSMWYFYSA-N 2 1 306.425 3.061 20 0 DGADMP C[NH+](C)C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301725 1108094548 /nfs/dbraw/zinc/09/45/48/1108094548.db2.gz FIZRPIXOFAXJBL-NHCUHLMSSA-N 2 1 323.484 3.153 20 0 DGADMP C[NH+](C)C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301725 1108094561 /nfs/dbraw/zinc/09/45/61/1108094561.db2.gz FIZRPIXOFAXJBL-NHCUHLMSSA-N 2 1 323.484 3.153 20 0 DGADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301726 1108094619 /nfs/dbraw/zinc/09/46/19/1108094619.db2.gz FIZRPIXOFAXJBL-RTWAWAEBSA-N 2 1 323.484 3.153 20 0 DGADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301726 1108094634 /nfs/dbraw/zinc/09/46/34/1108094634.db2.gz FIZRPIXOFAXJBL-RTWAWAEBSA-N 2 1 323.484 3.153 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C/C=C/C3CC3)CC2)cc1 ZINC001324492120 1108312914 /nfs/dbraw/zinc/31/29/14/1108312914.db2.gz RTCKIKXRAIAIAV-OWOJBTEDSA-N 2 1 302.437 3.388 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1 ZINC001319198732 1108362604 /nfs/dbraw/zinc/36/26/04/1108362604.db2.gz IMHHKCKHCJEHRZ-GOSISDBHSA-N 2 1 323.484 3.285 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199314 1108362955 /nfs/dbraw/zinc/36/29/55/1108362955.db2.gz VXFSWFFQCINCCY-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199314 1108362969 /nfs/dbraw/zinc/36/29/69/1108362969.db2.gz VXFSWFFQCINCCY-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001264175763 1108413525 /nfs/dbraw/zinc/41/35/25/1108413525.db2.gz XZWQQJINXRYLFI-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001324746784 1108451065 /nfs/dbraw/zinc/45/10/65/1108451065.db2.gz NMUNZOCYGPIKEK-GOSISDBHSA-N 2 1 313.489 3.205 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001324746784 1108451070 /nfs/dbraw/zinc/45/10/70/1108451070.db2.gz NMUNZOCYGPIKEK-GOSISDBHSA-N 2 1 313.489 3.205 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815476 1108472720 /nfs/dbraw/zinc/47/27/20/1108472720.db2.gz PJQFYRGPGDAVRW-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815476 1108472725 /nfs/dbraw/zinc/47/27/25/1108472725.db2.gz PJQFYRGPGDAVRW-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001325341780 1108628120 /nfs/dbraw/zinc/62/81/20/1108628120.db2.gz ZIPNXCRINJBAAF-BHUNQDJPSA-N 2 1 324.509 3.349 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC001307111961 1111266927 /nfs/dbraw/zinc/26/69/27/1111266927.db2.gz RONWAUBOFYHUFI-ZDUSSCGKSA-N 2 1 301.356 3.055 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC001307496430 1111306172 /nfs/dbraw/zinc/30/61/72/1111306172.db2.gz SZCOEJMXIBJXTF-SLFFLAALSA-N 2 1 318.505 3.264 20 0 DGADMP CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001308156894 1111386405 /nfs/dbraw/zinc/38/64/05/1111386405.db2.gz RQSXYFAMJJTFRE-OALUTQOASA-N 2 1 302.462 3.282 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1C ZINC001308171163 1111390522 /nfs/dbraw/zinc/39/05/22/1111390522.db2.gz QNSUENDYQLVOQO-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC001308180449 1111391883 /nfs/dbraw/zinc/39/18/83/1111391883.db2.gz HVKXXOGDAQARPU-HNNXBMFYSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@@H](OCCC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001308187121 1111392933 /nfs/dbraw/zinc/39/29/33/1111392933.db2.gz RZIVBFPIRUTCOV-MRXNPFEDSA-N 2 1 313.445 3.405 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC001308254859 1111405539 /nfs/dbraw/zinc/40/55/39/1111405539.db2.gz RXRKLKINJKPADL-OAHLLOKOSA-N 2 1 312.404 3.498 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001308573303 1111445772 /nfs/dbraw/zinc/44/57/72/1111445772.db2.gz FRLUBQQTNMOLHH-UZLBHIALSA-N 2 1 313.489 3.485 20 0 DGADMP CO[C@@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001308589584 1111448662 /nfs/dbraw/zinc/44/86/62/1111448662.db2.gz HMEMGZDLMGIMKA-HKUYNNGSSA-N 2 1 308.510 3.245 20 0 DGADMP COC(=O)c1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC001308601849 1111449928 /nfs/dbraw/zinc/44/99/28/1111449928.db2.gz XNWYVTXIAZIXPE-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC001308601849 1111449929 /nfs/dbraw/zinc/44/99/29/1111449929.db2.gz XNWYVTXIAZIXPE-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC001308601849 1111449931 /nfs/dbraw/zinc/44/99/31/1111449931.db2.gz XNWYVTXIAZIXPE-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001308601849 1111449933 /nfs/dbraw/zinc/44/99/33/1111449933.db2.gz XNWYVTXIAZIXPE-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC001308601849 1111449935 /nfs/dbraw/zinc/44/99/35/1111449935.db2.gz XNWYVTXIAZIXPE-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CCCO2 ZINC001308744684 1111469211 /nfs/dbraw/zinc/46/92/11/1111469211.db2.gz IDTMLDSXNRBUHA-UHFFFAOYSA-N 2 1 302.462 3.319 20 0 DGADMP CCOC(=O)[C@H]([NH2+]CC1CC[NH+](CC)CC1)C1CCCCCC1 ZINC001308841231 1111482994 /nfs/dbraw/zinc/48/29/94/1111482994.db2.gz SSGFJRLZYMKMBO-GOSISDBHSA-N 2 1 324.509 3.210 20 0 DGADMP COCC(C)(C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308931368 1111495801 /nfs/dbraw/zinc/49/58/01/1111495801.db2.gz RATJZYCXTAXFJY-QUCCMNQESA-N 2 1 316.489 3.113 20 0 DGADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308931368 1111495805 /nfs/dbraw/zinc/49/58/05/1111495805.db2.gz RATJZYCXTAXFJY-QUCCMNQESA-N 2 1 316.489 3.113 20 0 DGADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308931368 1111495809 /nfs/dbraw/zinc/49/58/09/1111495809.db2.gz RATJZYCXTAXFJY-QUCCMNQESA-N 2 1 316.489 3.113 20 0 DGADMP CCC[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001308930959 1111495877 /nfs/dbraw/zinc/49/58/77/1111495877.db2.gz NYADYJHEWFMQJX-AQNXPRMDSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001308930959 1111495881 /nfs/dbraw/zinc/49/58/81/1111495881.db2.gz NYADYJHEWFMQJX-AQNXPRMDSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001308930959 1111495882 /nfs/dbraw/zinc/49/58/82/1111495882.db2.gz NYADYJHEWFMQJX-AQNXPRMDSA-N 2 1 316.489 3.255 20 0 DGADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1ccc2c(c1)CCCC2)C[NH+](C)C ZINC001308936306 1111496663 /nfs/dbraw/zinc/49/66/63/1111496663.db2.gz VMSNFKMXNCULIX-JXFKEZNVSA-N 2 1 318.505 3.053 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278369191 214123572 /nfs/dbraw/zinc/12/35/72/214123572.db2.gz BYSYWFRYXNZQFJ-JUSBFGHESA-N 2 1 314.473 3.339 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000305804564 231061278 /nfs/dbraw/zinc/06/12/78/231061278.db2.gz YQUXVRMRDSKQED-PKOBYXMFSA-N 2 1 320.452 3.030 20 0 DGADMP COC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000309808217 231104994 /nfs/dbraw/zinc/10/49/94/231104994.db2.gz LVOHSIWCOGMVFV-UHFFFAOYSA-N 2 1 302.462 3.198 20 0 DGADMP CCc1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(C)[nH+]1 ZINC000302047643 529554363 /nfs/dbraw/zinc/55/43/63/529554363.db2.gz LTWAJFYATUSYKH-UHFFFAOYSA-N 2 1 302.466 3.414 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268829353 282206246 /nfs/dbraw/zinc/20/62/46/282206246.db2.gz DUQBLHQTTNQBPR-MRXNPFEDSA-N 2 1 303.381 3.224 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000292992050 529659145 /nfs/dbraw/zinc/65/91/45/529659145.db2.gz MJDHCIBSROUBQB-NXHRZFHOSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000292992050 529659147 /nfs/dbraw/zinc/65/91/47/529659147.db2.gz MJDHCIBSROUBQB-NXHRZFHOSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)(C)O ZINC000295021870 529660954 /nfs/dbraw/zinc/66/09/54/529660954.db2.gz NUCPRNXDYIIRMI-MANSERQUSA-N 2 1 316.489 3.036 20 0 DGADMP Cc1ccsc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092665676 185332620 /nfs/dbraw/zinc/33/26/20/185332620.db2.gz UQSYMDUZLSKPKP-CALCHBBNSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1ccsc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092665676 185332621 /nfs/dbraw/zinc/33/26/21/185332621.db2.gz UQSYMDUZLSKPKP-CALCHBBNSA-N 2 1 321.534 3.047 20 0 DGADMP CC(C)OCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820915 185343838 /nfs/dbraw/zinc/34/38/38/185343838.db2.gz SPASJPBWUKZKGW-UHFFFAOYSA-N 2 1 305.466 3.045 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCCc3ccccc32)CC1(C)C ZINC000442868581 529772230 /nfs/dbraw/zinc/77/22/30/529772230.db2.gz GUZHHAAHBBFOAQ-LJQANCHMSA-N 2 1 315.505 3.070 20 0 DGADMP COCCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272769838 210174898 /nfs/dbraw/zinc/17/48/98/210174898.db2.gz MOTFJZNSCYOEFI-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435432300 529982562 /nfs/dbraw/zinc/98/25/62/529982562.db2.gz MMMPTHGFZRQOED-SFHVURJKSA-N 2 1 313.420 3.462 20 0 DGADMP C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435432300 529982563 /nfs/dbraw/zinc/98/25/63/529982563.db2.gz MMMPTHGFZRQOED-SFHVURJKSA-N 2 1 313.420 3.462 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435446674 529989406 /nfs/dbraw/zinc/98/94/06/529989406.db2.gz LNBJJIOYNJDUGI-LBPRGKRZSA-N 2 1 302.340 3.001 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430955487 529993002 /nfs/dbraw/zinc/99/30/02/529993002.db2.gz APDGFYAYSGNMJZ-SFHVURJKSA-N 2 1 324.468 3.334 20 0 DGADMP C[N@H+](Cc1ccccc1OCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435622648 530003742 /nfs/dbraw/zinc/00/37/42/530003742.db2.gz FDGWISQGONNBMG-CQSZACIVSA-N 2 1 316.367 3.202 20 0 DGADMP C[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435622648 530003744 /nfs/dbraw/zinc/00/37/44/530003744.db2.gz FDGWISQGONNBMG-CQSZACIVSA-N 2 1 316.367 3.202 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCSc3ccccc3F)C2)C1 ZINC000293085684 530059576 /nfs/dbraw/zinc/05/95/76/530059576.db2.gz WPXOCKBJDVERNW-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCSc3ccccc3F)C2)C1 ZINC000293085684 530059577 /nfs/dbraw/zinc/05/95/77/530059577.db2.gz WPXOCKBJDVERNW-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCSc3ccccc3F)C2)C1 ZINC000293085684 530059578 /nfs/dbraw/zinc/05/95/78/530059578.db2.gz WPXOCKBJDVERNW-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCSc3ccccc3F)C2)C1 ZINC000293085684 530059579 /nfs/dbraw/zinc/05/95/79/530059579.db2.gz WPXOCKBJDVERNW-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181696708 199340117 /nfs/dbraw/zinc/34/01/17/199340117.db2.gz FKGSHDAQIYVDJJ-OTWHNJEPSA-N 2 1 316.489 3.432 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCOC4CCC4)C3)C2)cc1 ZINC000286815748 219180103 /nfs/dbraw/zinc/18/01/03/219180103.db2.gz JZVJMQWZDIGULZ-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000286815748 219180106 /nfs/dbraw/zinc/18/01/06/219180106.db2.gz JZVJMQWZDIGULZ-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000286815748 219180108 /nfs/dbraw/zinc/18/01/08/219180108.db2.gz JZVJMQWZDIGULZ-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCSC3)CC2)cc1 ZINC000286878464 219207370 /nfs/dbraw/zinc/20/73/70/219207370.db2.gz CHFTUBBOZXWEIL-QGZVFWFLSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000105480773 432018906 /nfs/dbraw/zinc/01/89/06/432018906.db2.gz QYIOIEVSZQYZCP-AEFFLSMTSA-N 2 1 301.478 3.107 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000277425475 213516580 /nfs/dbraw/zinc/51/65/80/213516580.db2.gz JGIJOXGWZUKYTN-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000277425475 213516582 /nfs/dbraw/zinc/51/65/82/213516582.db2.gz JGIJOXGWZUKYTN-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152647353 186093686 /nfs/dbraw/zinc/09/36/86/186093686.db2.gz FTAYEEUVOMPEOH-TZMCWYRMSA-N 2 1 323.868 3.049 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)ccn2)CC1 ZINC000106933634 432025182 /nfs/dbraw/zinc/02/51/82/432025182.db2.gz JGSHVGIYFBOSAG-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CCOCC1 ZINC000188012639 186243304 /nfs/dbraw/zinc/24/33/04/186243304.db2.gz INNAFOFDYBRXIR-OALUTQOASA-N 2 1 316.489 3.197 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000268747018 186376134 /nfs/dbraw/zinc/37/61/34/186376134.db2.gz BCEFIYYPBMMJJR-BBWFWOEESA-N 2 1 318.461 3.371 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000268749419 186377725 /nfs/dbraw/zinc/37/77/25/186377725.db2.gz UBVJJARZFAWXQI-IEBWSBKVSA-N 2 1 317.521 3.074 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268759835 186381396 /nfs/dbraw/zinc/38/13/96/186381396.db2.gz GRQDWDIUIPKBDW-LVFSCSRESA-N 2 1 302.462 3.404 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268759835 186381398 /nfs/dbraw/zinc/38/13/98/186381398.db2.gz GRQDWDIUIPKBDW-LVFSCSRESA-N 2 1 302.462 3.404 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277156214 213334148 /nfs/dbraw/zinc/33/41/48/213334148.db2.gz FJSXPKWGLXWSPK-RDJZCZTQSA-N 2 1 320.477 3.043 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000182063956 199381033 /nfs/dbraw/zinc/38/10/33/199381033.db2.gz KUGZNTHOKHADCY-DOTOQJQBSA-N 2 1 317.477 3.416 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000174513933 198344872 /nfs/dbraw/zinc/34/48/72/198344872.db2.gz SBEFFGUVSHQRTK-WMZOPIPTSA-N 2 1 301.478 3.249 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000277091976 213287167 /nfs/dbraw/zinc/28/71/67/213287167.db2.gz RWNHDNKUCLJTOL-HOTGVXAUSA-N 2 1 323.799 3.104 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000163579391 432035954 /nfs/dbraw/zinc/03/59/54/432035954.db2.gz WHVDEQPAGMCJIC-MJGOQNOKSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000163579391 432035957 /nfs/dbraw/zinc/03/59/57/432035957.db2.gz WHVDEQPAGMCJIC-MJGOQNOKSA-N 2 1 309.542 3.064 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278991795 283000749 /nfs/dbraw/zinc/00/07/49/283000749.db2.gz QBFSEWCFBVATHU-XJKSGUPXSA-N 2 1 315.392 3.088 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277029570 213249357 /nfs/dbraw/zinc/24/93/57/213249357.db2.gz AYQMTZRMQAPYMB-INIZCTEOSA-N 2 1 314.429 3.018 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277029570 213249361 /nfs/dbraw/zinc/24/93/61/213249361.db2.gz AYQMTZRMQAPYMB-INIZCTEOSA-N 2 1 314.429 3.018 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000164651712 432050426 /nfs/dbraw/zinc/05/04/26/432050426.db2.gz DFSAURAHVZHZNT-AWEZNQCLSA-N 2 1 315.417 3.094 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCCOCCc2ccccc2)CC[N@H+]1C ZINC000165229779 432054470 /nfs/dbraw/zinc/05/44/70/432054470.db2.gz UDQVOGVKOUUDNI-PKOBYXMFSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)C[NH+]1CCCC1 ZINC000165296104 432054881 /nfs/dbraw/zinc/05/48/81/432054881.db2.gz UUTAYJUGWMCMKB-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166277324 432060015 /nfs/dbraw/zinc/06/00/15/432060015.db2.gz MKDHVWQRVUSRQW-NSHGMRRFSA-N 2 1 316.489 3.476 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1)C(C)C ZINC000236923247 202073298 /nfs/dbraw/zinc/07/32/98/202073298.db2.gz KRRUQEHETJOVDL-UHFFFAOYSA-N 2 1 319.493 3.164 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1)C(C)C ZINC000236923721 202073869 /nfs/dbraw/zinc/07/38/69/202073869.db2.gz YUEDBXKZVDHLPK-GOSISDBHSA-N 2 1 319.493 3.020 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166911845 432062978 /nfs/dbraw/zinc/06/29/78/432062978.db2.gz BUGPTKCCBRFCBV-YJBOKZPZSA-N 2 1 302.462 3.214 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166911845 432062979 /nfs/dbraw/zinc/06/29/79/432062979.db2.gz BUGPTKCCBRFCBV-YJBOKZPZSA-N 2 1 302.462 3.214 20 0 DGADMP C[N@@H+](CCCO)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179666958 432066813 /nfs/dbraw/zinc/06/68/13/432066813.db2.gz VDYZJYCMIYWUNZ-DUXPYHPUSA-N 2 1 322.880 3.132 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000168609786 432069805 /nfs/dbraw/zinc/06/98/05/432069805.db2.gz KOQYRUBCVSZFCF-UKRRQHHQSA-N 2 1 312.404 3.416 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000168609786 432069806 /nfs/dbraw/zinc/06/98/06/432069806.db2.gz KOQYRUBCVSZFCF-UKRRQHHQSA-N 2 1 312.404 3.416 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000179409317 199030726 /nfs/dbraw/zinc/03/07/26/199030726.db2.gz CRBSTDJAQOCWIU-SFHVURJKSA-N 2 1 302.462 3.262 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180138505 199122239 /nfs/dbraw/zinc/12/22/39/199122239.db2.gz MUYKXIURSCQHAS-VNVJMFPYSA-N 2 1 316.489 3.179 20 0 DGADMP CC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180173252 199127072 /nfs/dbraw/zinc/12/70/72/199127072.db2.gz TWRGGTHDMGPLNF-IHWFROFDSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000180452838 199161520 /nfs/dbraw/zinc/16/15/20/199161520.db2.gz RIYBOMLBIQJWLC-LJQANCHMSA-N 2 1 321.484 3.140 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000237350720 202242385 /nfs/dbraw/zinc/24/23/85/202242385.db2.gz OGFOEHWEFCWRDL-OAHLLOKOSA-N 2 1 315.461 3.271 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180640558 199189580 /nfs/dbraw/zinc/18/95/80/199189580.db2.gz SUHIMECWQQQNJV-UWJYYQICSA-N 2 1 324.468 3.412 20 0 DGADMP CCCC1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000180068811 432076993 /nfs/dbraw/zinc/07/69/93/432076993.db2.gz AXXCTQUONRNKRK-SOAGJPPSSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)sc1Br ZINC000414959669 293894656 /nfs/dbraw/zinc/89/46/56/293894656.db2.gz XMPWNICCFHMECW-VHSXEESVSA-N 2 1 303.269 3.049 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1C ZINC000415068942 237050029 /nfs/dbraw/zinc/05/00/29/237050029.db2.gz RVWULOXANHFXMF-KDOFPFPSSA-N 2 1 317.477 3.128 20 0 DGADMP CCn1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033389 237023267 /nfs/dbraw/zinc/02/32/67/237023267.db2.gz BRKORLCQGJWXDT-QAPCUYQASA-N 2 1 312.461 3.020 20 0 DGADMP CCn1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033389 237023285 /nfs/dbraw/zinc/02/32/85/237023285.db2.gz BRKORLCQGJWXDT-QAPCUYQASA-N 2 1 312.461 3.020 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cc(Br)cs1)C1CCCC1 ZINC000415040025 237026331 /nfs/dbraw/zinc/02/63/31/237026331.db2.gz JOLVRSIGRHUJHS-LBPRGKRZSA-N 2 1 303.269 3.118 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cc2cccnc21)C1CCCC1 ZINC000415072373 237054951 /nfs/dbraw/zinc/05/49/51/237054951.db2.gz XZQABSFGWNASML-INIZCTEOSA-N 2 1 303.837 3.495 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415084827 237067291 /nfs/dbraw/zinc/06/72/91/237067291.db2.gz RPSPGCWBBBYIID-SBHAEUEKSA-N 2 1 321.468 3.348 20 0 DGADMP COCCOc1ccccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415086351 237069406 /nfs/dbraw/zinc/06/94/06/237069406.db2.gz UKKZWGSMFIAWRF-SJLPKXTDSA-N 2 1 320.477 3.112 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415133625 237104040 /nfs/dbraw/zinc/10/40/40/237104040.db2.gz VGVKPUDCLBTGQQ-KOLCDFICSA-N 2 1 317.296 3.236 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415133625 237104049 /nfs/dbraw/zinc/10/40/49/237104049.db2.gz VGVKPUDCLBTGQQ-KOLCDFICSA-N 2 1 317.296 3.236 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838071 200020231 /nfs/dbraw/zinc/02/02/31/200020231.db2.gz WFXSNKDFEVAFIV-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838071 200020233 /nfs/dbraw/zinc/02/02/33/200020233.db2.gz WFXSNKDFEVAFIV-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838071 200020235 /nfs/dbraw/zinc/02/02/35/200020235.db2.gz WFXSNKDFEVAFIV-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186838071 200020237 /nfs/dbraw/zinc/02/02/37/200020237.db2.gz WFXSNKDFEVAFIV-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP C[C@@H](CCCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281015849 216023604 /nfs/dbraw/zinc/02/36/04/216023604.db2.gz NXFVXEXOXCNNCZ-IVMQYODDSA-N 2 1 304.478 3.180 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2n1 ZINC000187353822 200099989 /nfs/dbraw/zinc/09/99/89/200099989.db2.gz WYCAATWGFOJWJA-GOSISDBHSA-N 2 1 309.457 3.461 20 0 DGADMP Fc1cncc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC000281088600 216071791 /nfs/dbraw/zinc/07/17/91/216071791.db2.gz AEPYFJSXKGMFTN-SFHVURJKSA-N 2 1 303.425 3.136 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@@H+]1Cc1ccccc1 ZINC000188581902 200270625 /nfs/dbraw/zinc/27/06/25/200270625.db2.gz OIBYGRFJDPLJKB-QRQLOZEOSA-N 2 1 300.446 3.322 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@H+]1Cc1ccccc1 ZINC000188581902 200270627 /nfs/dbraw/zinc/27/06/27/200270627.db2.gz OIBYGRFJDPLJKB-QRQLOZEOSA-N 2 1 300.446 3.322 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)o2)cs1 ZINC000422938170 237812096 /nfs/dbraw/zinc/81/20/96/237812096.db2.gz GTHHCWSXDWSALQ-BXUZGUMPSA-N 2 1 305.447 3.189 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423545639 237857838 /nfs/dbraw/zinc/85/78/38/237857838.db2.gz YDWWIIDQJWGOAV-OAHLLOKOSA-N 3 1 310.445 3.141 20 0 DGADMP COc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134914456 432089273 /nfs/dbraw/zinc/08/92/73/432089273.db2.gz VIZSZSHRIJLFHR-YLJYHZDGSA-N 2 1 314.473 3.186 20 0 DGADMP COc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134914456 432089276 /nfs/dbraw/zinc/08/92/76/432089276.db2.gz VIZSZSHRIJLFHR-YLJYHZDGSA-N 2 1 314.473 3.186 20 0 DGADMP COc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134914456 432089279 /nfs/dbraw/zinc/08/92/79/432089279.db2.gz VIZSZSHRIJLFHR-YLJYHZDGSA-N 2 1 314.473 3.186 20 0 DGADMP COc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134914456 432089282 /nfs/dbraw/zinc/08/92/82/432089282.db2.gz VIZSZSHRIJLFHR-YLJYHZDGSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430546493 238079209 /nfs/dbraw/zinc/07/92/09/238079209.db2.gz XYHWMSQODAPLLB-NEPJUHHUSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@](C[NH3+])([NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000430569790 238080161 /nfs/dbraw/zinc/08/01/61/238080161.db2.gz FTXKYELXBBIXDR-HXUWFJFHSA-N 2 1 310.441 3.483 20 0 DGADMP FC(F)(F)c1cccc(OCCCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000430599809 238081405 /nfs/dbraw/zinc/08/14/05/238081405.db2.gz BFWPMZVETVVHKB-UHFFFAOYSA-N 2 1 316.367 3.160 20 0 DGADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000430599809 238081406 /nfs/dbraw/zinc/08/14/06/238081406.db2.gz BFWPMZVETVVHKB-UHFFFAOYSA-N 2 1 316.367 3.160 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430606464 238081435 /nfs/dbraw/zinc/08/14/35/238081435.db2.gz VUTYZTJHAJQKSP-QGZVFWFLSA-N 2 1 323.440 3.110 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430606464 238081437 /nfs/dbraw/zinc/08/14/37/238081437.db2.gz VUTYZTJHAJQKSP-QGZVFWFLSA-N 2 1 323.440 3.110 20 0 DGADMP C[C@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000430955336 238091130 /nfs/dbraw/zinc/09/11/30/238091130.db2.gz LYEMOKGJAHYZPR-YJBOKZPZSA-N 2 1 304.478 3.422 20 0 DGADMP COCC[N@@H+](C)CCCNCc1csc(Cl)c1Cl ZINC000432225512 238122391 /nfs/dbraw/zinc/12/23/91/238122391.db2.gz DYLGRQJDOABQPC-UHFFFAOYSA-N 2 1 311.278 3.113 20 0 DGADMP C[C@@H]1C[N@@H+](CCCNCc2cc3cc(F)ccc3o2)CCCO1 ZINC000432360157 238126334 /nfs/dbraw/zinc/12/63/34/238126334.db2.gz VDROGRDLSHVNQA-CQSZACIVSA-N 2 1 320.408 3.162 20 0 DGADMP C[C@@H]1CN(CCC[NH2+]Cc2cc3cc(F)ccc3o2)CCCO1 ZINC000432360157 238126336 /nfs/dbraw/zinc/12/63/36/238126336.db2.gz VDROGRDLSHVNQA-CQSZACIVSA-N 2 1 320.408 3.162 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3cc(F)ccc3o2)CCCO1 ZINC000432360157 238126337 /nfs/dbraw/zinc/12/63/37/238126337.db2.gz VDROGRDLSHVNQA-CQSZACIVSA-N 2 1 320.408 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3cc(F)ccc3o2)CCCO1 ZINC000432360157 238126338 /nfs/dbraw/zinc/12/63/38/238126338.db2.gz VDROGRDLSHVNQA-CQSZACIVSA-N 2 1 320.408 3.162 20 0 DGADMP C[C@H](CCc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414288 238127231 /nfs/dbraw/zinc/12/72/31/238127231.db2.gz KKLJFLXXMNMHCF-SJORKVTESA-N 2 1 322.468 3.237 20 0 DGADMP C[C@H](CCc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414288 238127232 /nfs/dbraw/zinc/12/72/32/238127232.db2.gz KKLJFLXXMNMHCF-SJORKVTESA-N 2 1 322.468 3.237 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433170103 238149227 /nfs/dbraw/zinc/14/92/27/238149227.db2.gz ZVHFUFDJIIUBIQ-SFHVURJKSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433170103 238149228 /nfs/dbraw/zinc/14/92/28/238149228.db2.gz ZVHFUFDJIIUBIQ-SFHVURJKSA-N 2 1 304.478 3.474 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000433754120 238165968 /nfs/dbraw/zinc/16/59/68/238165968.db2.gz RBIZUANRMBKWFG-INIZCTEOSA-N 2 1 321.428 3.085 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)CC1 ZINC000271916146 209320279 /nfs/dbraw/zinc/32/02/79/209320279.db2.gz YUYQZFZEBJUKLT-KBXCAEBGSA-N 2 1 308.441 3.366 20 0 DGADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCSC3)CC2)n2c1CCCC2 ZINC000435049816 238267871 /nfs/dbraw/zinc/26/78/71/238267871.db2.gz SDUDCBAWRASXQQ-CQSZACIVSA-N 2 1 305.491 3.152 20 0 DGADMP COCC(C)(C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435060287 238271216 /nfs/dbraw/zinc/27/12/16/238271216.db2.gz SNOXFIFDJPTONL-UHFFFAOYSA-N 2 1 305.466 3.071 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436230296 238416153 /nfs/dbraw/zinc/41/61/53/238416153.db2.gz HDDNGAYGALVANQ-LBPRGKRZSA-N 2 1 300.381 3.238 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000281412900 216283191 /nfs/dbraw/zinc/28/31/91/216283191.db2.gz ZLOAAXGZCDKXBC-KURKYZTESA-N 2 1 313.489 3.490 20 0 DGADMP CC(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193283469 201020617 /nfs/dbraw/zinc/02/06/17/201020617.db2.gz DWUUCYOLNSLOCC-YQQQUEKLSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC[C@@H](C)[NH3+])c2C1 ZINC000193308329 201025454 /nfs/dbraw/zinc/02/54/54/201025454.db2.gz QARUUXNHNKLDJM-CQSZACIVSA-N 2 1 303.450 3.114 20 0 DGADMP C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCCC[C@H]1C ZINC000442724597 239115015 /nfs/dbraw/zinc/11/50/15/239115015.db2.gz ZVWCASCLKJKYPP-BZUAXINKSA-N 2 1 311.473 3.488 20 0 DGADMP C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCCC[C@H]1C ZINC000442724597 239115018 /nfs/dbraw/zinc/11/50/18/239115018.db2.gz ZVWCASCLKJKYPP-BZUAXINKSA-N 2 1 311.473 3.488 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000442926019 239151202 /nfs/dbraw/zinc/15/12/02/239151202.db2.gz XIOIVYTXIUXZFG-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000442929567 239154516 /nfs/dbraw/zinc/15/45/16/239154516.db2.gz RTWZWHOTISFQGV-NSHDSACASA-N 2 1 304.331 3.405 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000443066062 239170925 /nfs/dbraw/zinc/17/09/25/239170925.db2.gz DHBQMVUFDAHCIE-INIZCTEOSA-N 2 1 315.486 3.295 20 0 DGADMP c1ccc(OC[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000275473989 212356867 /nfs/dbraw/zinc/35/68/67/212356867.db2.gz PMROBXVGFRNHJS-SFHVURJKSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3ccoc32)C[C@H](C)O1 ZINC000449103891 240017885 /nfs/dbraw/zinc/01/78/85/240017885.db2.gz SIYJPSOROJDTHI-IYBDPMFKSA-N 2 1 316.445 3.412 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449105173 240019946 /nfs/dbraw/zinc/01/99/46/240019946.db2.gz HHPGPFCBUCXAIE-OAHLLOKOSA-N 2 1 316.445 3.064 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000271804463 209230214 /nfs/dbraw/zinc/23/02/14/209230214.db2.gz ASHXSOFRDQHAMY-UHFFFAOYSA-N 2 1 302.315 3.196 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449162080 240046125 /nfs/dbraw/zinc/04/61/25/240046125.db2.gz IADUCVYEGYXFFS-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449162080 240046130 /nfs/dbraw/zinc/04/61/30/240046130.db2.gz IADUCVYEGYXFFS-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449186396 240056113 /nfs/dbraw/zinc/05/61/13/240056113.db2.gz OZXSXJCUPIHGCT-UHFFFAOYSA-N 2 1 316.445 3.412 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000449232522 240082486 /nfs/dbraw/zinc/08/24/86/240082486.db2.gz IHPRJLBDCWNGNX-WOUAJJJCSA-N 2 1 316.489 3.168 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2ccnn2C2CCCC2)CCCC1 ZINC000449244878 240087829 /nfs/dbraw/zinc/08/78/29/240087829.db2.gz WLVRYXWPDSUSEN-UHFFFAOYSA-N 2 1 304.482 3.210 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449400707 240176035 /nfs/dbraw/zinc/17/60/35/240176035.db2.gz CPWMQBDKRHVLOI-YLJYHZDGSA-N 2 1 309.457 3.390 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000449400495 240177878 /nfs/dbraw/zinc/17/78/78/240177878.db2.gz IXSMWOCQPAEXRC-UYAOXDASSA-N 2 1 316.489 3.271 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](COC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000449481642 240233263 /nfs/dbraw/zinc/23/32/63/240233263.db2.gz UWNOOIXRTVOOJN-LESCRADOSA-N 2 1 324.896 3.390 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091287740 193031697 /nfs/dbraw/zinc/03/16/97/193031697.db2.gz XMRGUAQNRQPLTC-BLLLJJGKSA-N 2 1 323.278 3.368 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331173 212276455 /nfs/dbraw/zinc/27/64/55/212276455.db2.gz ZGBFEIJGJWOCOJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331173 212276457 /nfs/dbraw/zinc/27/64/57/212276457.db2.gz ZGBFEIJGJWOCOJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331173 212276459 /nfs/dbraw/zinc/27/64/59/212276459.db2.gz ZGBFEIJGJWOCOJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331173 212276462 /nfs/dbraw/zinc/27/64/62/212276462.db2.gz ZGBFEIJGJWOCOJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331165 212275335 /nfs/dbraw/zinc/27/53/35/212275335.db2.gz ZGBFEIJGJWOCOJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331165 212275337 /nfs/dbraw/zinc/27/53/37/212275337.db2.gz ZGBFEIJGJWOCOJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331165 212275340 /nfs/dbraw/zinc/27/53/40/212275340.db2.gz ZGBFEIJGJWOCOJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331165 212275342 /nfs/dbraw/zinc/27/53/42/212275342.db2.gz ZGBFEIJGJWOCOJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP CC(C)C[C@@]1(C)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451291509 241073509 /nfs/dbraw/zinc/07/35/09/241073509.db2.gz PGBQPFAXYTWYCF-LJQANCHMSA-N 2 1 309.542 3.303 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451336486 241086085 /nfs/dbraw/zinc/08/60/85/241086085.db2.gz WHMBMVHGUPUXDQ-QGZVFWFLSA-N 2 1 321.852 3.291 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451336486 241086088 /nfs/dbraw/zinc/08/60/88/241086088.db2.gz WHMBMVHGUPUXDQ-QGZVFWFLSA-N 2 1 321.852 3.291 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451625667 241192811 /nfs/dbraw/zinc/19/28/11/241192811.db2.gz IKQIRNKPSGILDT-MSOLQXFVSA-N 2 1 317.477 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451625667 241192818 /nfs/dbraw/zinc/19/28/18/241192818.db2.gz IKQIRNKPSGILDT-MSOLQXFVSA-N 2 1 317.477 3.253 20 0 DGADMP COC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000135267395 432108944 /nfs/dbraw/zinc/10/89/44/432108944.db2.gz WAPDLCUUZOBBDU-UXDRXVOSSA-N 2 1 302.462 3.054 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)CC2=Cc3ccccc3OC2)CC1 ZINC000092165609 193169662 /nfs/dbraw/zinc/16/96/62/193169662.db2.gz RAVBCRUKAVIXQW-UHFFFAOYSA-N 2 1 300.446 3.269 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CC2=Cc3ccccc3OC2)CC1 ZINC000092165609 193169664 /nfs/dbraw/zinc/16/96/64/193169664.db2.gz RAVBCRUKAVIXQW-UHFFFAOYSA-N 2 1 300.446 3.269 20 0 DGADMP CCCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253789 193181174 /nfs/dbraw/zinc/18/11/74/193181174.db2.gz PBQAEGMPVJSGBB-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253789 193181176 /nfs/dbraw/zinc/18/11/76/193181176.db2.gz PBQAEGMPVJSGBB-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253789 193181178 /nfs/dbraw/zinc/18/11/78/193181178.db2.gz PBQAEGMPVJSGBB-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253789 193181180 /nfs/dbraw/zinc/18/11/80/193181180.db2.gz PBQAEGMPVJSGBB-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000275146848 212148861 /nfs/dbraw/zinc/14/88/61/212148861.db2.gz UTSUZFTZVPASKG-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)CC[N@H+]1Cc1ccccc1 ZINC000275146848 212148863 /nfs/dbraw/zinc/14/88/63/212148863.db2.gz UTSUZFTZVPASKG-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1O ZINC000459381825 243353337 /nfs/dbraw/zinc/35/33/37/243353337.db2.gz VIDYHGRLVLZSEQ-GOEBONIOSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)ccc1O ZINC000459381825 243353342 /nfs/dbraw/zinc/35/33/42/243353342.db2.gz VIDYHGRLVLZSEQ-GOEBONIOSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1O ZINC000459381825 243353353 /nfs/dbraw/zinc/35/33/53/243353353.db2.gz VIDYHGRLVLZSEQ-GOEBONIOSA-N 2 1 306.450 3.096 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459425734 243366215 /nfs/dbraw/zinc/36/62/15/243366215.db2.gz LVUVGHYANHKQCB-UHFFFAOYSA-N 2 1 324.896 3.362 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459435170 243367841 /nfs/dbraw/zinc/36/78/41/243367841.db2.gz WPIYPLFBQFZVPQ-SMDDNHRTSA-N 2 1 318.490 3.154 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000459435170 243367847 /nfs/dbraw/zinc/36/78/47/243367847.db2.gz WPIYPLFBQFZVPQ-SMDDNHRTSA-N 2 1 318.490 3.154 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2cccc(Cl)c2)[C@H](C)C1 ZINC000246317429 432118478 /nfs/dbraw/zinc/11/84/78/432118478.db2.gz FDRGHBNTSAZIQM-XOKHGSTOSA-N 2 1 310.869 3.347 20 0 DGADMP Cc1n[nH]cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000093006885 193193133 /nfs/dbraw/zinc/19/31/33/193193133.db2.gz RWKYNKUSORFNPZ-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000114456175 284108994 /nfs/dbraw/zinc/10/89/94/284108994.db2.gz OIATYIJRDJZNRG-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261786119 203116096 /nfs/dbraw/zinc/11/60/96/203116096.db2.gz FWZAADQIORMCST-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1Br ZINC000469063175 244082548 /nfs/dbraw/zinc/08/25/48/244082548.db2.gz VOCQGRVBONYZPX-OCCSQVGLSA-N 2 1 311.267 3.187 20 0 DGADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396761 284120888 /nfs/dbraw/zinc/12/08/88/284120888.db2.gz LHFJQWQYIMKNBM-DOTOQJQBSA-N 2 1 319.493 3.278 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000469983940 244136445 /nfs/dbraw/zinc/13/64/45/244136445.db2.gz RMHHVYZQKVXBII-UKRRQHHQSA-N 2 1 312.379 3.494 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000470108038 244144696 /nfs/dbraw/zinc/14/46/96/244144696.db2.gz SCRNAQNKDVGDPH-WBAXXEDZSA-N 2 1 320.452 3.229 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000470108038 244144698 /nfs/dbraw/zinc/14/46/98/244144698.db2.gz SCRNAQNKDVGDPH-WBAXXEDZSA-N 2 1 320.452 3.229 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282236375 216846053 /nfs/dbraw/zinc/84/60/53/216846053.db2.gz IVSWAKUOQPVKQO-AEFFLSMTSA-N 2 1 315.505 3.159 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000472262537 244294415 /nfs/dbraw/zinc/29/44/15/244294415.db2.gz QWLPVHNHVIEQAS-UYAOXDASSA-N 2 1 316.489 3.497 20 0 DGADMP CC(C)OCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471852504 244259173 /nfs/dbraw/zinc/25/91/73/244259173.db2.gz VZEXWMNAVFFXER-OALUTQOASA-N 2 1 304.478 3.084 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472445907 244304680 /nfs/dbraw/zinc/30/46/80/244304680.db2.gz IGFCEQYIILQRQV-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472445907 244304685 /nfs/dbraw/zinc/30/46/85/244304685.db2.gz IGFCEQYIILQRQV-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472445907 244304688 /nfs/dbraw/zinc/30/46/88/244304688.db2.gz IGFCEQYIILQRQV-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472445907 244304691 /nfs/dbraw/zinc/30/46/91/244304691.db2.gz IGFCEQYIILQRQV-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccnc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000093169148 193210284 /nfs/dbraw/zinc/21/02/84/193210284.db2.gz VQIVABOLVCUNIQ-GOSISDBHSA-N 2 1 301.478 3.334 20 0 DGADMP Cc1cccnc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000093169148 193210286 /nfs/dbraw/zinc/21/02/86/193210286.db2.gz VQIVABOLVCUNIQ-GOSISDBHSA-N 2 1 301.478 3.334 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000246334396 432120555 /nfs/dbraw/zinc/12/05/55/432120555.db2.gz BVBHQTCMWHEZLO-OWCLPIDISA-N 2 1 302.462 3.184 20 0 DGADMP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336957 193233019 /nfs/dbraw/zinc/23/30/19/193233019.db2.gz ZDMISFOGGNLTDA-LJQANCHMSA-N 2 1 310.441 3.346 20 0 DGADMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336957 193233020 /nfs/dbraw/zinc/23/30/20/193233020.db2.gz ZDMISFOGGNLTDA-LJQANCHMSA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1cccc(O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336957 193233022 /nfs/dbraw/zinc/23/30/22/193233022.db2.gz ZDMISFOGGNLTDA-LJQANCHMSA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1cccc(O)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336957 193233024 /nfs/dbraw/zinc/23/30/24/193233024.db2.gz ZDMISFOGGNLTDA-LJQANCHMSA-N 2 1 310.441 3.346 20 0 DGADMP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262717640 203391325 /nfs/dbraw/zinc/39/13/25/203391325.db2.gz WJRVELPMBXTFFM-RHSMWYFYSA-N 2 1 303.450 3.127 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770111 193303975 /nfs/dbraw/zinc/30/39/75/193303975.db2.gz IICPCRKQTSCMOS-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770111 193303976 /nfs/dbraw/zinc/30/39/76/193303976.db2.gz IICPCRKQTSCMOS-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770111 193303978 /nfs/dbraw/zinc/30/39/78/193303978.db2.gz IICPCRKQTSCMOS-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770111 193303979 /nfs/dbraw/zinc/30/39/79/193303979.db2.gz IICPCRKQTSCMOS-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093996590 193336770 /nfs/dbraw/zinc/33/67/70/193336770.db2.gz ZTGHIJIJQWQKKE-SNVBAGLBSA-N 2 1 315.230 3.147 20 0 DGADMP CC[N@@H+](Cc1cccn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818855 193313315 /nfs/dbraw/zinc/31/33/15/193313315.db2.gz GYBOVQRWWURYLJ-LJQANCHMSA-N 2 1 311.473 3.369 20 0 DGADMP CC[N@H+](Cc1cccn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818855 193313317 /nfs/dbraw/zinc/31/33/17/193313317.db2.gz GYBOVQRWWURYLJ-LJQANCHMSA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1cccn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818855 193313318 /nfs/dbraw/zinc/31/33/18/193313318.db2.gz GYBOVQRWWURYLJ-LJQANCHMSA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1cccn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818855 193313320 /nfs/dbraw/zinc/31/33/20/193313320.db2.gz GYBOVQRWWURYLJ-LJQANCHMSA-N 2 1 311.473 3.369 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000423259853 296153169 /nfs/dbraw/zinc/15/31/69/296153169.db2.gz FTRFTSARMKJCEJ-PBHICJAKSA-N 2 1 318.461 3.406 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121785227 284205872 /nfs/dbraw/zinc/20/58/72/284205872.db2.gz DRKDYQDATYCXST-IBGZPJMESA-N 2 1 314.473 3.463 20 0 DGADMP CC1CCN(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000121890215 284208223 /nfs/dbraw/zinc/20/82/23/284208223.db2.gz ZACPMBPLHZTBMN-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)[C@@H](C)C1 ZINC000488443237 245193482 /nfs/dbraw/zinc/19/34/82/245193482.db2.gz GIDTYBMCIDZFMK-FUHWJXTLSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000488442722 245193978 /nfs/dbraw/zinc/19/39/78/245193978.db2.gz FQEYQOYBWIOOKV-JEWRLFTDSA-N 2 1 302.462 3.041 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000246367260 432123780 /nfs/dbraw/zinc/12/37/80/432123780.db2.gz LHWZSKOBFRNRAO-ROUUACIJSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000246367260 432123782 /nfs/dbraw/zinc/12/37/82/432123782.db2.gz LHWZSKOBFRNRAO-ROUUACIJSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000246367260 432123786 /nfs/dbraw/zinc/12/37/86/432123786.db2.gz LHWZSKOBFRNRAO-ROUUACIJSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000246367260 432123775 /nfs/dbraw/zinc/12/37/75/432123775.db2.gz LHWZSKOBFRNRAO-ROUUACIJSA-N 2 1 301.478 3.211 20 0 DGADMP C(CN1CCC[N@@H+](CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000124977136 284267437 /nfs/dbraw/zinc/26/74/37/284267437.db2.gz FQEXUNABBKYCAI-UHFFFAOYSA-N 2 1 321.553 3.450 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000127314837 284334564 /nfs/dbraw/zinc/33/45/64/284334564.db2.gz FSUJMKAXJLXQHY-UHFFFAOYSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271706069 209142091 /nfs/dbraw/zinc/14/20/91/209142091.db2.gz MCSFHOYCMSBWJY-NSHDSACASA-N 2 1 317.824 3.082 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000266176811 205161275 /nfs/dbraw/zinc/16/12/75/205161275.db2.gz TWZABEBQZYBCLD-RDJZCZTQSA-N 2 1 320.477 3.304 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000266176811 205161279 /nfs/dbraw/zinc/16/12/79/205161279.db2.gz TWZABEBQZYBCLD-RDJZCZTQSA-N 2 1 320.477 3.304 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000181511441 432132040 /nfs/dbraw/zinc/13/20/40/432132040.db2.gz KKNFVLQYIVCPMA-XDNAFOTISA-N 2 1 308.510 3.292 20 0 DGADMP Brc1csc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020307117 182204972 /nfs/dbraw/zinc/20/49/72/182204972.db2.gz YKFDNELGDSEOJS-UHFFFAOYSA-N 2 1 303.269 3.086 20 0 DGADMP Brc1csc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020307101 182205176 /nfs/dbraw/zinc/20/51/76/182205176.db2.gz OJLLICHJGVNLDJ-UHFFFAOYSA-N 2 1 317.296 3.476 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000494355620 246138484 /nfs/dbraw/zinc/13/84/84/246138484.db2.gz GDYUGKWFWUMUAC-OAHLLOKOSA-N 2 1 310.507 3.222 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000494355620 246138487 /nfs/dbraw/zinc/13/84/87/246138487.db2.gz GDYUGKWFWUMUAC-OAHLLOKOSA-N 2 1 310.507 3.222 20 0 DGADMP COCC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000494386246 246142273 /nfs/dbraw/zinc/14/22/73/246142273.db2.gz OSECXKBGXGRIMO-UHFFFAOYSA-N 2 1 305.397 3.082 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267514569 206117763 /nfs/dbraw/zinc/11/77/63/206117763.db2.gz LCVXWJLMXOTOQW-HKUYNNGSSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267514569 206117766 /nfs/dbraw/zinc/11/77/66/206117766.db2.gz LCVXWJLMXOTOQW-HKUYNNGSSA-N 2 1 316.489 3.324 20 0 DGADMP COC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000496220409 246368037 /nfs/dbraw/zinc/36/80/37/246368037.db2.gz XQOKSLGMHTUJHW-IRXDYDNUSA-N 2 1 311.385 3.099 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000268796879 432135812 /nfs/dbraw/zinc/13/58/12/432135812.db2.gz HYJSUYWFJZGEJO-KRWDZBQOSA-N 2 1 301.434 3.057 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCO1 ZINC000268816815 432140330 /nfs/dbraw/zinc/14/03/30/432140330.db2.gz MPUWPZGYHIZNCU-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCO1 ZINC000268816815 432140332 /nfs/dbraw/zinc/14/03/32/432140332.db2.gz MPUWPZGYHIZNCU-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCO1 ZINC000268816813 432141487 /nfs/dbraw/zinc/14/14/87/432141487.db2.gz MPUWPZGYHIZNCU-JFRXWTBNSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCO1 ZINC000268816813 432141491 /nfs/dbraw/zinc/14/14/91/432141491.db2.gz MPUWPZGYHIZNCU-JFRXWTBNSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2o1 ZINC000268840135 432145245 /nfs/dbraw/zinc/14/52/45/432145245.db2.gz AJPZNJFVZGIYTE-DOTOQJQBSA-N 2 1 316.445 3.320 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000268911046 432146460 /nfs/dbraw/zinc/14/64/60/432146460.db2.gz MXGUGESZUPXIMA-RYGJVYDSSA-N 2 1 312.457 3.193 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000268982466 432148223 /nfs/dbraw/zinc/14/82/23/432148223.db2.gz PDUZWNNXFPLENT-BHIYHBOVSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000268982466 432148230 /nfs/dbraw/zinc/14/82/30/432148230.db2.gz PDUZWNNXFPLENT-BHIYHBOVSA-N 2 1 304.478 3.300 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000040592034 183106708 /nfs/dbraw/zinc/10/67/08/183106708.db2.gz NVCBLPAOBLLANP-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000040592034 183106710 /nfs/dbraw/zinc/10/67/10/183106710.db2.gz NVCBLPAOBLLANP-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000042681378 183296481 /nfs/dbraw/zinc/29/64/81/183296481.db2.gz YBFZQPFCKSUNLL-UHFFFAOYSA-N 2 1 311.267 3.365 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000042681378 183296482 /nfs/dbraw/zinc/29/64/82/183296482.db2.gz YBFZQPFCKSUNLL-UHFFFAOYSA-N 2 1 311.267 3.365 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)cc1C ZINC000268219880 206553155 /nfs/dbraw/zinc/55/31/55/206553155.db2.gz CDSJPXZXERUIIM-UHFFFAOYSA-N 2 1 322.250 3.442 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@@H](C)C1 ZINC000274099697 211355171 /nfs/dbraw/zinc/35/51/71/211355171.db2.gz YDAFMLRCRBOYFM-VHBXLISGSA-N 2 1 316.489 3.137 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000105442549 194104894 /nfs/dbraw/zinc/10/48/94/194104894.db2.gz HJUOEWTVRDXLIG-LBPRGKRZSA-N 2 1 306.479 3.371 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000285270346 218359981 /nfs/dbraw/zinc/35/99/81/218359981.db2.gz QSGNLDHKAWHMCN-DCCYDQLOSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285396137 218414299 /nfs/dbraw/zinc/41/42/99/218414299.db2.gz WYDJDWKCTFEAEH-CTWPCTMYSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846026 207013693 /nfs/dbraw/zinc/01/36/93/207013693.db2.gz VLTJSDJORCXKCQ-FOGDFJRCSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846026 207013696 /nfs/dbraw/zinc/01/36/96/207013696.db2.gz VLTJSDJORCXKCQ-FOGDFJRCSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268860788 207030139 /nfs/dbraw/zinc/03/01/39/207030139.db2.gz GADWOANETBLVKB-NJAFHUGGSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268860788 207030142 /nfs/dbraw/zinc/03/01/42/207030142.db2.gz GADWOANETBLVKB-NJAFHUGGSA-N 2 1 304.478 3.036 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000268898316 207067158 /nfs/dbraw/zinc/06/71/58/207067158.db2.gz WANJPWZBAGSAGH-GFCCVEGCSA-N 2 1 321.396 3.089 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000268901053 207068430 /nfs/dbraw/zinc/06/84/30/207068430.db2.gz KZKDONPOIRFSCV-RDJZCZTQSA-N 2 1 320.502 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000268902713 207071791 /nfs/dbraw/zinc/07/17/91/207071791.db2.gz RJJOZGARVAZEEJ-LAUBAEHRSA-N 2 1 324.468 3.179 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000268985105 207141935 /nfs/dbraw/zinc/14/19/35/207141935.db2.gz PWFKMOBFJUMULT-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000268985105 207141938 /nfs/dbraw/zinc/14/19/38/207141938.db2.gz PWFKMOBFJUMULT-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(Br)s1)C[NH+]1CCCC1 ZINC000057994333 184065649 /nfs/dbraw/zinc/06/56/49/184065649.db2.gz PLDJJEGTOAMEHA-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000269040452 207190310 /nfs/dbraw/zinc/19/03/10/207190310.db2.gz GKPMFJQSTACVQH-SIFCLUCFSA-N 2 1 324.472 3.314 20 0 DGADMP COC1(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000294555152 224086518 /nfs/dbraw/zinc/08/65/18/224086518.db2.gz LBOJHQMMDXQKLB-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCS2 ZINC000248795970 285026470 /nfs/dbraw/zinc/02/64/70/285026470.db2.gz FCEODFJRYMHVOU-BBRMVZONSA-N 2 1 306.475 3.164 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248847018 285031509 /nfs/dbraw/zinc/03/15/09/285031509.db2.gz ICRGETMNGFQFKN-ATZDWAIDSA-N 2 1 316.489 3.168 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000286114492 218799322 /nfs/dbraw/zinc/79/93/22/218799322.db2.gz NVFFSIKBWYQOBN-LMDPOFIKSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000336854250 253008327 /nfs/dbraw/zinc/00/83/27/253008327.db2.gz NMEPMPQZOYSQGY-OCCSQVGLSA-N 2 1 324.852 3.074 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000336854250 253008329 /nfs/dbraw/zinc/00/83/29/253008329.db2.gz NMEPMPQZOYSQGY-OCCSQVGLSA-N 2 1 324.852 3.074 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000337195671 253059895 /nfs/dbraw/zinc/05/98/95/253059895.db2.gz WYWSVKHAQPDQIN-INIZCTEOSA-N 2 1 320.440 3.423 20 0 DGADMP CC[N@@H+](CCOCC(C)C)CC1CCN(c2ccccn2)CC1 ZINC000337209621 253062040 /nfs/dbraw/zinc/06/20/40/253062040.db2.gz BDUKPUOVUYTZAF-UHFFFAOYSA-N 2 1 319.493 3.293 20 0 DGADMP CC[NH+]1CCC([NH2+]C2CC(c3ccc(OC)c(F)c3)C2)CC1 ZINC000337567180 253140992 /nfs/dbraw/zinc/14/09/92/253140992.db2.gz YUDAVCSDUBYJCE-UHFFFAOYSA-N 2 1 306.425 3.154 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OCC ZINC000337773049 253172627 /nfs/dbraw/zinc/17/26/27/253172627.db2.gz WEYWKOVYPCDUEX-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OCC ZINC000337773049 253172630 /nfs/dbraw/zinc/17/26/30/253172630.db2.gz WEYWKOVYPCDUEX-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C12CCCCC2 ZINC000338013987 253210190 /nfs/dbraw/zinc/21/01/90/253210190.db2.gz PRHXTWLIFQHQPG-IAGOWNOFSA-N 2 1 305.466 3.299 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000338006167 253208524 /nfs/dbraw/zinc/20/85/24/253208524.db2.gz ZLQQNKJQSHXMGE-CYBMUJFWSA-N 2 1 307.388 3.471 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000252644197 285103090 /nfs/dbraw/zinc/10/30/90/285103090.db2.gz NOLYUVGJPQRVBQ-FXAWDEMLSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000252644197 285103093 /nfs/dbraw/zinc/10/30/93/285103093.db2.gz NOLYUVGJPQRVBQ-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000252644197 285103094 /nfs/dbraw/zinc/10/30/94/285103094.db2.gz NOLYUVGJPQRVBQ-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)[C@@H](C)C1 ZINC000252644197 285103096 /nfs/dbraw/zinc/10/30/96/285103096.db2.gz NOLYUVGJPQRVBQ-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000252714718 285104154 /nfs/dbraw/zinc/10/41/54/285104154.db2.gz SSLFDMZOQBXJIZ-IINYFYTJSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000252714718 285104155 /nfs/dbraw/zinc/10/41/55/285104155.db2.gz SSLFDMZOQBXJIZ-IINYFYTJSA-N 2 1 315.230 3.018 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000338544634 253307022 /nfs/dbraw/zinc/30/70/22/253307022.db2.gz CVIFOYOHCSKVOT-HKUYNNGSSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544634 253307025 /nfs/dbraw/zinc/30/70/25/253307025.db2.gz CVIFOYOHCSKVOT-HKUYNNGSSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544634 253307028 /nfs/dbraw/zinc/30/70/28/253307028.db2.gz CVIFOYOHCSKVOT-HKUYNNGSSA-N 2 1 302.462 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000158778629 197301279 /nfs/dbraw/zinc/30/12/79/197301279.db2.gz QDFRSQZQJBHIKA-KEYYUXOJSA-N 2 1 310.482 3.377 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(Cl)n1C ZINC000272879520 210270198 /nfs/dbraw/zinc/27/01/98/210270198.db2.gz VEIURYPVXIYAEI-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP COC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000288735651 220381243 /nfs/dbraw/zinc/38/12/43/220381243.db2.gz GXTQCSKVVLRHKH-SUMWQHHRSA-N 2 1 321.852 3.458 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342604179 254017073 /nfs/dbraw/zinc/01/70/73/254017073.db2.gz YOAPVECCJYTYOB-MSOLQXFVSA-N 2 1 313.445 3.417 20 0 DGADMP CCC1CC([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1 ZINC000342622263 254020836 /nfs/dbraw/zinc/02/08/36/254020836.db2.gz DRTNEFZWFWDVOO-UHFFFAOYSA-N 2 1 315.505 3.102 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000342628246 254021400 /nfs/dbraw/zinc/02/14/00/254021400.db2.gz QXCIEPIJDOBXSH-GFCCVEGCSA-N 2 1 311.857 3.269 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCC2(C)C)[C@H](c2ccccc2)C1 ZINC000342663593 254028357 /nfs/dbraw/zinc/02/83/57/254028357.db2.gz JJDBUIZEPFINEP-OALUTQOASA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342731550 254039299 /nfs/dbraw/zinc/03/92/99/254039299.db2.gz SDQBSNHPWUXKDI-INIZCTEOSA-N 2 1 318.509 3.376 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777674 254047572 /nfs/dbraw/zinc/04/75/72/254047572.db2.gz IARKFGDKRSLGGW-HOCLYGCPSA-N 2 1 304.482 3.079 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cnc(C(C)(C)C)nc2)C1 ZINC000342774782 254048020 /nfs/dbraw/zinc/04/80/20/254048020.db2.gz HVQDBOUDPJFIQG-INIZCTEOSA-N 2 1 318.509 3.232 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342774782 254048023 /nfs/dbraw/zinc/04/80/23/254048023.db2.gz HVQDBOUDPJFIQG-INIZCTEOSA-N 2 1 318.509 3.232 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342774782 254048024 /nfs/dbraw/zinc/04/80/24/254048024.db2.gz HVQDBOUDPJFIQG-INIZCTEOSA-N 2 1 318.509 3.232 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCCn2ccnc2)CC1)CC(C)C ZINC000343566559 254161843 /nfs/dbraw/zinc/16/18/43/254161843.db2.gz UCXOUNINWPJEGL-UHFFFAOYSA-N 2 1 320.525 3.353 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(-c2ccncc2)c1 ZINC000343585449 254164603 /nfs/dbraw/zinc/16/46/03/254164603.db2.gz XOHFYYNISYHIDY-VQTJNVASSA-N 2 1 307.441 3.465 20 0 DGADMP CCCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000343612851 254167782 /nfs/dbraw/zinc/16/77/82/254167782.db2.gz HZCRPKMCYVNQAQ-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000343612851 254167783 /nfs/dbraw/zinc/16/77/83/254167783.db2.gz HZCRPKMCYVNQAQ-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000344297027 254252452 /nfs/dbraw/zinc/25/24/52/254252452.db2.gz MLCRLXCLQRZUIR-XDNAFOTISA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000344297027 254252454 /nfs/dbraw/zinc/25/24/54/254252454.db2.gz MLCRLXCLQRZUIR-XDNAFOTISA-N 2 1 306.494 3.044 20 0 DGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1(C)C ZINC000344173985 254235685 /nfs/dbraw/zinc/23/56/85/254235685.db2.gz PZNJXRURITXCKP-HYVNUMGLSA-N 2 1 307.482 3.401 20 0 DGADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664897 254294206 /nfs/dbraw/zinc/29/42/06/254294206.db2.gz IZHNEYSHMHERLQ-PKOBYXMFSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664897 254294207 /nfs/dbraw/zinc/29/42/07/254294207.db2.gz IZHNEYSHMHERLQ-PKOBYXMFSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664897 254294208 /nfs/dbraw/zinc/29/42/08/254294208.db2.gz IZHNEYSHMHERLQ-PKOBYXMFSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000157074977 197159795 /nfs/dbraw/zinc/15/97/95/197159795.db2.gz QVZLGLYGKSIKJQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000157074977 197159796 /nfs/dbraw/zinc/15/97/96/197159796.db2.gz QVZLGLYGKSIKJQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157074977 197159797 /nfs/dbraw/zinc/15/97/97/197159797.db2.gz QVZLGLYGKSIKJQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157074977 197159798 /nfs/dbraw/zinc/15/97/98/197159798.db2.gz QVZLGLYGKSIKJQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000344844596 254310219 /nfs/dbraw/zinc/31/02/19/254310219.db2.gz SBMBJFFIHPEMSP-GDBMZVCRSA-N 2 1 324.538 3.199 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000261817272 285192837 /nfs/dbraw/zinc/19/28/37/285192837.db2.gz ICMXEBHQDWIUKM-WBVHZDCISA-N 2 1 310.445 3.019 20 0 DGADMP OC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000274021480 285241804 /nfs/dbraw/zinc/24/18/04/285241804.db2.gz PLGQONWYSFOBAO-KAXARAQCSA-N 2 1 314.473 3.033 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)CCCO)cc1 ZINC000294808906 224235328 /nfs/dbraw/zinc/23/53/28/224235328.db2.gz NPLNKGGGBWPNGJ-CABCVRRESA-N 2 1 301.434 3.240 20 0 DGADMP Cc1cnccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000120696449 195217967 /nfs/dbraw/zinc/21/79/67/195217967.db2.gz OCUVRNGMQKYGET-KRWDZBQOSA-N 2 1 324.428 3.176 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1O ZINC000289779472 221221738 /nfs/dbraw/zinc/22/17/38/221221738.db2.gz NWFNUEJFGYCFIJ-AWEZNQCLSA-N 2 1 306.450 3.172 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000289786582 221224952 /nfs/dbraw/zinc/22/49/52/221224952.db2.gz KYWAXSRWWKQUBP-LJQANCHMSA-N 2 1 314.473 3.225 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC000289880934 221288958 /nfs/dbraw/zinc/28/89/58/221288958.db2.gz SQIOKYNVQKXDEY-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC000289880934 221288960 /nfs/dbraw/zinc/28/89/60/221288960.db2.gz SQIOKYNVQKXDEY-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000289878067 221286712 /nfs/dbraw/zinc/28/67/12/221286712.db2.gz SLKIKZLBGQWECG-LSDHHAIUSA-N 2 1 306.450 3.172 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000289878067 221286716 /nfs/dbraw/zinc/28/67/16/221286716.db2.gz SLKIKZLBGQWECG-LSDHHAIUSA-N 2 1 306.450 3.172 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cnc2ccc(Cl)cn12)CC1CCCC1 ZINC000352534718 285353024 /nfs/dbraw/zinc/35/30/24/285353024.db2.gz ISEDYBNEOCNRCM-UHFFFAOYSA-N 2 1 320.868 3.329 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000352534543 285353233 /nfs/dbraw/zinc/35/32/33/285353233.db2.gz HPQOTANNUDOZKN-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352242409 285352249 /nfs/dbraw/zinc/35/22/49/285352249.db2.gz VCKHXDBGHRIZKY-QZTJIDSGSA-N 2 1 324.509 3.306 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352242409 285352251 /nfs/dbraw/zinc/35/22/51/285352251.db2.gz VCKHXDBGHRIZKY-QZTJIDSGSA-N 2 1 324.509 3.306 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121691207 195330199 /nfs/dbraw/zinc/33/01/99/195330199.db2.gz IKLRCMORKQASGD-OTWHNJEPSA-N 2 1 314.473 3.186 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000123496241 195589517 /nfs/dbraw/zinc/58/95/17/195589517.db2.gz JJMDXEQBSWLVFM-CRAIPNDOSA-N 2 1 312.461 3.061 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173873813 533453439 /nfs/dbraw/zinc/45/34/39/533453439.db2.gz USPTYFPDSSBKNP-IBGZPJMESA-N 2 1 316.489 3.436 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc2n1 ZINC000292905503 533627154 /nfs/dbraw/zinc/62/71/54/533627154.db2.gz GYMPOJPZXXNDSI-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc2n1 ZINC000292905503 533627160 /nfs/dbraw/zinc/62/71/60/533627160.db2.gz GYMPOJPZXXNDSI-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc2n1 ZINC000292905503 533627167 /nfs/dbraw/zinc/62/71/67/533627167.db2.gz GYMPOJPZXXNDSI-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000415100423 533641314 /nfs/dbraw/zinc/64/13/14/533641314.db2.gz AGNDUHLKGIANIC-JSGCOSHPSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000163951277 132127189 /nfs/dbraw/zinc/12/71/89/132127189.db2.gz SKWRCDUUQCGGOZ-QGZVFWFLSA-N 2 1 310.441 3.370 20 0 DGADMP c1cc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cs2)co1 ZINC000357079728 285629594 /nfs/dbraw/zinc/62/95/94/285629594.db2.gz MQRGCAUZCKSQEG-CQSZACIVSA-N 2 1 317.458 3.225 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000093400479 296540341 /nfs/dbraw/zinc/54/03/41/296540341.db2.gz CEVVDDFLOCBLEP-SFHVURJKSA-N 2 1 322.518 3.416 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000090859193 400080118 /nfs/dbraw/zinc/08/01/18/400080118.db2.gz QQVMTUJGJKGWIO-PMACEKPBSA-N 2 1 316.489 3.241 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090881623 400080265 /nfs/dbraw/zinc/08/02/65/400080265.db2.gz OVHOUCGXUNQICF-XJKSGUPXSA-N 2 1 310.869 3.211 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000092471465 400175432 /nfs/dbraw/zinc/17/54/32/400175432.db2.gz MQFMUFVSDXKHGP-MRXNPFEDSA-N 2 1 301.478 3.059 20 0 DGADMP OCc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305138561 400122972 /nfs/dbraw/zinc/12/29/72/400122972.db2.gz PHKVEJQCEMQZPH-UHFFFAOYSA-N 2 1 302.462 3.066 20 0 DGADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCCCC1 ZINC000585810988 400144285 /nfs/dbraw/zinc/14/42/85/400144285.db2.gz QDALUTTUQNBDRN-UHFFFAOYSA-N 2 1 321.440 3.008 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000315403661 400145248 /nfs/dbraw/zinc/14/52/48/400145248.db2.gz OHDTXHGYSLIMKR-HNNXBMFYSA-N 2 1 302.462 3.220 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000315403661 400145255 /nfs/dbraw/zinc/14/52/55/400145255.db2.gz OHDTXHGYSLIMKR-HNNXBMFYSA-N 2 1 302.462 3.220 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000588688198 400223759 /nfs/dbraw/zinc/22/37/59/400223759.db2.gz QTEJSRLMCJLIEP-RTWAWAEBSA-N 2 1 324.468 3.220 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000588688198 400223765 /nfs/dbraw/zinc/22/37/65/400223765.db2.gz QTEJSRLMCJLIEP-RTWAWAEBSA-N 2 1 324.468 3.220 20 0 DGADMP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069545 400190249 /nfs/dbraw/zinc/19/02/49/400190249.db2.gz JPGPKUJVKULXMY-MSOLQXFVSA-N 2 1 304.503 3.445 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742094 400253717 /nfs/dbraw/zinc/25/37/17/400253717.db2.gz JAEYLOAGPCAGQT-CQSZACIVSA-N 2 1 318.490 3.302 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742094 400253721 /nfs/dbraw/zinc/25/37/21/400253721.db2.gz JAEYLOAGPCAGQT-CQSZACIVSA-N 2 1 318.490 3.302 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742094 400253724 /nfs/dbraw/zinc/25/37/24/400253724.db2.gz JAEYLOAGPCAGQT-CQSZACIVSA-N 2 1 318.490 3.302 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742094 400253729 /nfs/dbraw/zinc/25/37/29/400253729.db2.gz JAEYLOAGPCAGQT-CQSZACIVSA-N 2 1 318.490 3.302 20 0 DGADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610001031 400206690 /nfs/dbraw/zinc/20/66/90/400206690.db2.gz TYZKXNXUKOCJLU-MRXNPFEDSA-N 2 1 324.509 3.305 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccc1Br ZINC000404182928 400294099 /nfs/dbraw/zinc/29/40/99/400294099.db2.gz ZPWFMAVUVHSGQU-UHFFFAOYSA-N 2 1 322.250 3.247 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccc1Br ZINC000404182928 400294103 /nfs/dbraw/zinc/29/41/03/400294103.db2.gz ZPWFMAVUVHSGQU-UHFFFAOYSA-N 2 1 322.250 3.247 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000072966239 400419655 /nfs/dbraw/zinc/41/96/55/400419655.db2.gz RPFUVYWPWXGJMS-HKUYNNGSSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000072966239 400419658 /nfs/dbraw/zinc/41/96/58/400419658.db2.gz RPFUVYWPWXGJMS-HKUYNNGSSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000072966239 400419665 /nfs/dbraw/zinc/41/96/65/400419665.db2.gz RPFUVYWPWXGJMS-HKUYNNGSSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000072966239 400419672 /nfs/dbraw/zinc/41/96/72/400419672.db2.gz RPFUVYWPWXGJMS-HKUYNNGSSA-N 2 1 318.509 3.086 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000590786793 400434138 /nfs/dbraw/zinc/43/41/38/400434138.db2.gz MVOIGUXBMMJHTR-UHFFFAOYSA-N 2 1 301.434 3.380 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000124295587 400474326 /nfs/dbraw/zinc/47/43/26/400474326.db2.gz XSGHJEPHWSXZPJ-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000124295587 400474331 /nfs/dbraw/zinc/47/43/31/400474331.db2.gz XSGHJEPHWSXZPJ-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC000597149841 400570202 /nfs/dbraw/zinc/57/02/02/400570202.db2.gz SRKKLZOVNRUKKS-UHFFFAOYSA-N 2 1 324.852 3.091 20 0 DGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597026185 400542534 /nfs/dbraw/zinc/54/25/34/400542534.db2.gz FEEYIKDDFSFYEP-DOTOQJQBSA-N 2 1 316.474 3.373 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000591868824 400567934 /nfs/dbraw/zinc/56/79/34/400567934.db2.gz GCQOSVXFPOOHFE-AWEZNQCLSA-N 2 1 307.344 3.322 20 0 DGADMP CC[NH+](CC)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000150033469 400662629 /nfs/dbraw/zinc/66/26/29/400662629.db2.gz GPUKDZWDOQILOR-MRXNPFEDSA-N 2 1 317.477 3.341 20 0 DGADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157493387 400717549 /nfs/dbraw/zinc/71/75/49/400717549.db2.gz ILNUYMMNLKHUQE-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157493387 400717553 /nfs/dbraw/zinc/71/75/53/400717553.db2.gz ILNUYMMNLKHUQE-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000172629441 400835631 /nfs/dbraw/zinc/83/56/31/400835631.db2.gz MKTKQYOOCJSORY-AWEZNQCLSA-N 2 1 313.445 3.331 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387564 400891439 /nfs/dbraw/zinc/89/14/39/400891439.db2.gz LKGHABPBXVBKGS-INIZCTEOSA-N 2 1 312.461 3.232 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194500018 400920751 /nfs/dbraw/zinc/92/07/51/400920751.db2.gz SZEVRSAHGXMSTQ-QGZVFWFLSA-N 2 1 304.478 3.269 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC1(C)C ZINC000598987737 400921051 /nfs/dbraw/zinc/92/10/51/400921051.db2.gz MHAHBYGQMUVSEH-HZPDHXFCSA-N 2 1 324.509 3.207 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629590276 400984843 /nfs/dbraw/zinc/98/48/43/400984843.db2.gz SFZZCPINSCVGRS-QKLQHJQFSA-N 2 1 316.489 3.401 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1F ZINC000629589447 400985547 /nfs/dbraw/zinc/98/55/47/400985547.db2.gz WSVJHRIEJLAWGE-GDBMZVCRSA-N 2 1 306.425 3.013 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@H]1C(F)(F)F ZINC000629654858 401019958 /nfs/dbraw/zinc/01/99/58/401019958.db2.gz IXUQNJPZKVBKFY-HZPDHXFCSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@H]1C(F)(F)F ZINC000629654858 401019966 /nfs/dbraw/zinc/01/99/66/401019966.db2.gz IXUQNJPZKVBKFY-HZPDHXFCSA-N 2 1 323.362 3.194 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559144 400975667 /nfs/dbraw/zinc/97/56/67/400975667.db2.gz AGSYZRDRHVTWPK-TZMCWYRMSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559144 400975674 /nfs/dbraw/zinc/97/56/74/400975674.db2.gz AGSYZRDRHVTWPK-TZMCWYRMSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629560024 400975769 /nfs/dbraw/zinc/97/57/69/400975769.db2.gz CHIUQMSQVLUGED-HUUCEWRRSA-N 2 1 300.368 3.263 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629560024 400975775 /nfs/dbraw/zinc/97/57/75/400975775.db2.gz CHIUQMSQVLUGED-HUUCEWRRSA-N 2 1 300.368 3.263 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561877 400976950 /nfs/dbraw/zinc/97/69/50/400976950.db2.gz LBPAVFNLIFLBPX-SCDSUCTJSA-N 2 1 304.331 3.346 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561877 400976955 /nfs/dbraw/zinc/97/69/55/400976955.db2.gz LBPAVFNLIFLBPX-SCDSUCTJSA-N 2 1 304.331 3.346 20 0 DGADMP CCc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561677 400976966 /nfs/dbraw/zinc/97/69/66/400976966.db2.gz KIYIAOAHZXRZQQ-HOTGVXAUSA-N 2 1 314.395 3.251 20 0 DGADMP CCc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563651 400977654 /nfs/dbraw/zinc/97/76/54/400977654.db2.gz QANSMVOSHROFEF-CABCVRRESA-N 2 1 300.368 3.208 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@@H]1C(F)(F)F ZINC000629563296 400978308 /nfs/dbraw/zinc/97/83/08/400978308.db2.gz OZRAPQMSKQKSJW-HIFRSBDPSA-N 2 1 318.358 3.217 20 0 DGADMP CC(C)(C[NH3+])c1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000629732951 401064671 /nfs/dbraw/zinc/06/46/71/401064671.db2.gz ISACGFMZDZRUGD-UHFFFAOYSA-N 2 1 324.468 3.422 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1F ZINC000629671437 401030918 /nfs/dbraw/zinc/03/09/18/401030918.db2.gz AOPXLOPIRKURLM-OFQRWUPVSA-N 2 1 306.425 3.012 20 0 DGADMP COc1ccc(C)cc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060978589 401142003 /nfs/dbraw/zinc/14/20/03/401142003.db2.gz KGBOKYBAQFMQNA-CALCHBBNSA-N 2 1 304.478 3.461 20 0 DGADMP COc1ccc(C)cc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060978589 401142005 /nfs/dbraw/zinc/14/20/05/401142005.db2.gz KGBOKYBAQFMQNA-CALCHBBNSA-N 2 1 304.478 3.461 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C2CCCCCC2)c1 ZINC000061030476 401142955 /nfs/dbraw/zinc/14/29/55/401142955.db2.gz QGBDXRRTZXZLBU-UHFFFAOYSA-N 2 1 302.462 3.331 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000358250808 286011074 /nfs/dbraw/zinc/01/10/74/286011074.db2.gz LYHNVULCEUCEHU-PCODVIEZSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1CO ZINC000621373085 401190531 /nfs/dbraw/zinc/19/05/31/401190531.db2.gz BGDIEYNLBAEBID-FXAWDEMLSA-N 2 1 316.489 3.123 20 0 DGADMP CC[NH+](CC)CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000063756577 401215452 /nfs/dbraw/zinc/21/54/52/401215452.db2.gz OTKLEUSJJKXMLS-MRXNPFEDSA-N 2 1 317.477 3.199 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)[C@H](C)C1 ZINC000090656874 401271028 /nfs/dbraw/zinc/27/10/28/401271028.db2.gz PHVRFXIYJWOXFQ-NEWSRXKRSA-N 2 1 318.505 3.109 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000631041968 401376069 /nfs/dbraw/zinc/37/60/69/401376069.db2.gz DVKMFTOGZGBHET-INIZCTEOSA-N 2 1 317.477 3.389 20 0 DGADMP Cc1ccc(-c2cccc(C[NH+]3CCC([NH2+]CCO)CC3)c2)cc1 ZINC000635001021 401398145 /nfs/dbraw/zinc/39/81/45/401398145.db2.gz BOZCZWYSDXJHAM-UHFFFAOYSA-N 2 1 324.468 3.208 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000635004767 401399157 /nfs/dbraw/zinc/39/91/57/401399157.db2.gz FBKSJFVAMXBYHC-AAEUAGOBSA-N 2 1 312.379 3.459 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635011247 401402579 /nfs/dbraw/zinc/40/25/79/401402579.db2.gz MVPZBGDFWMHVDO-QWHCGFSZSA-N 2 1 324.440 3.272 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631193901 401421699 /nfs/dbraw/zinc/42/16/99/401421699.db2.gz HCZDENNRXRHHIQ-JOMPHRNESA-N 2 1 316.489 3.300 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)[C@H](C)C1 ZINC000189124963 286063703 /nfs/dbraw/zinc/06/37/03/286063703.db2.gz MSMGOMUERAVXHM-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631567372 401499686 /nfs/dbraw/zinc/49/96/86/401499686.db2.gz YSRDKQBLPQJSAE-WMLDXEAASA-N 2 1 318.461 3.229 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631601448 401511167 /nfs/dbraw/zinc/51/11/67/401511167.db2.gz SWOSXHLZKIPPBY-LPHOPBHVSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631601447 401511465 /nfs/dbraw/zinc/51/14/65/401511465.db2.gz SWOSXHLZKIPPBY-APWZRJJASA-N 2 1 301.478 3.417 20 0 DGADMP Cc1cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000636020384 401519594 /nfs/dbraw/zinc/51/95/94/401519594.db2.gz CCVXVQRDDHKUMW-GOSISDBHSA-N 2 1 315.461 3.012 20 0 DGADMP COC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631664188 401529227 /nfs/dbraw/zinc/52/92/27/401529227.db2.gz MLJYSYKXBZKOTQ-FVPXHTFXSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000631665788 401529402 /nfs/dbraw/zinc/52/94/02/401529402.db2.gz XXFMUKVREJFHQX-MDNKFWRPSA-N 2 1 316.489 3.159 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC(C)C ZINC000623655089 401562578 /nfs/dbraw/zinc/56/25/78/401562578.db2.gz OHDXBBJWRWWPAN-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657137 401563329 /nfs/dbraw/zinc/56/33/29/401563329.db2.gz KJVADUUSUGNTHU-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657137 401563331 /nfs/dbraw/zinc/56/33/31/401563331.db2.gz KJVADUUSUGNTHU-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000623657578 401563552 /nfs/dbraw/zinc/56/35/52/401563552.db2.gz UVUPKYLLLRYULA-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000623657578 401563554 /nfs/dbraw/zinc/56/35/54/401563554.db2.gz UVUPKYLLLRYULA-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000623657577 401563694 /nfs/dbraw/zinc/56/36/94/401563694.db2.gz UVUPKYLLLRYULA-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000623657577 401563697 /nfs/dbraw/zinc/56/36/97/401563697.db2.gz UVUPKYLLLRYULA-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP Cc1nc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]c1C ZINC000628272876 401565102 /nfs/dbraw/zinc/56/51/02/401565102.db2.gz ATDMZLHHNJVWPF-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc[nH]c1=O ZINC000623777594 401578667 /nfs/dbraw/zinc/57/86/67/401578667.db2.gz LAPSFXCZRFWWOW-UHFFFAOYSA-N 2 1 313.445 3.035 20 0 DGADMP Cc1cccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)c1 ZINC000623872064 401591668 /nfs/dbraw/zinc/59/16/68/401591668.db2.gz UQLNPQSSZPVKND-IBGZPJMESA-N 2 1 304.478 3.129 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000358476929 286072300 /nfs/dbraw/zinc/07/23/00/286072300.db2.gz ZIPKKWUJTWVTDK-JKIFEVAISA-N 2 1 316.493 3.397 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000358476929 286072301 /nfs/dbraw/zinc/07/23/01/286072301.db2.gz ZIPKKWUJTWVTDK-JKIFEVAISA-N 2 1 316.493 3.397 20 0 DGADMP C[N@H+]1CC[C@H](N[C@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575449 401549402 /nfs/dbraw/zinc/54/94/02/401549402.db2.gz AZSHFUHTQIAPNH-IRXDYDNUSA-N 2 1 324.472 3.322 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc2c1CCOC2 ZINC000631825260 401558971 /nfs/dbraw/zinc/55/89/71/401558971.db2.gz DGHLPYPALGDBBL-UHFFFAOYSA-N 2 1 310.441 3.110 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000631826499 401559544 /nfs/dbraw/zinc/55/95/44/401559544.db2.gz OWPOCFWPOUOGSQ-MSOLQXFVSA-N 2 1 301.478 3.218 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000631828923 401559661 /nfs/dbraw/zinc/55/96/61/401559661.db2.gz BZRMDBVGTADYRV-GOSISDBHSA-N 2 1 301.478 3.218 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000623647030 401561076 /nfs/dbraw/zinc/56/10/76/401561076.db2.gz WXKYNTRTXYONCL-DFQSSKMNSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000623647030 401561078 /nfs/dbraw/zinc/56/10/78/401561078.db2.gz WXKYNTRTXYONCL-DFQSSKMNSA-N 2 1 318.505 3.426 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119626 401628208 /nfs/dbraw/zinc/62/82/08/401628208.db2.gz GJHMLEARYULUFZ-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119626 401628210 /nfs/dbraw/zinc/62/82/10/401628210.db2.gz GJHMLEARYULUFZ-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120948 401628569 /nfs/dbraw/zinc/62/85/69/401628569.db2.gz KOQHPXZKXSCUFR-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120948 401628570 /nfs/dbraw/zinc/62/85/70/401628570.db2.gz KOQHPXZKXSCUFR-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120948 401628571 /nfs/dbraw/zinc/62/85/71/401628571.db2.gz KOQHPXZKXSCUFR-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119627 401628575 /nfs/dbraw/zinc/62/85/75/401628575.db2.gz GJHMLEARYULUFZ-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119627 401628576 /nfs/dbraw/zinc/62/85/76/401628576.db2.gz GJHMLEARYULUFZ-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1C(F)(F)F ZINC000623963985 401606063 /nfs/dbraw/zinc/60/60/63/401606063.db2.gz WMYWIRISJNUYFE-JTQLQIEISA-N 2 1 315.314 3.471 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358498725 286078504 /nfs/dbraw/zinc/07/85/04/286078504.db2.gz MKOORHXOWUTJAM-UHFFFAOYSA-N 2 1 302.462 3.148 20 0 DGADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508228 286080432 /nfs/dbraw/zinc/08/04/32/286080432.db2.gz OUAZNWWLFIBEAN-UHFFFAOYSA-N 2 1 320.387 3.007 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@@H+]1C ZINC000358671408 286120654 /nfs/dbraw/zinc/12/06/54/286120654.db2.gz XTTMAAZUUUEQKH-CJNGLKHVSA-N 2 1 323.431 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC000358671408 286120656 /nfs/dbraw/zinc/12/06/56/286120656.db2.gz XTTMAAZUUUEQKH-CJNGLKHVSA-N 2 1 323.431 3.006 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358672180 286121062 /nfs/dbraw/zinc/12/10/62/286121062.db2.gz DPVJXSMWJQFMDK-AEFFLSMTSA-N 2 1 304.478 3.180 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358672180 286121063 /nfs/dbraw/zinc/12/10/63/286121063.db2.gz DPVJXSMWJQFMDK-AEFFLSMTSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711400 286130528 /nfs/dbraw/zinc/13/05/28/286130528.db2.gz GUNDWLFMZJWMOV-YLJYHZDGSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000358711400 286130529 /nfs/dbraw/zinc/13/05/29/286130529.db2.gz GUNDWLFMZJWMOV-YLJYHZDGSA-N 2 1 316.489 3.446 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358742779 286139303 /nfs/dbraw/zinc/13/93/03/286139303.db2.gz ZHJXFLUNQRXFCN-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358742779 286139306 /nfs/dbraw/zinc/13/93/06/286139306.db2.gz ZHJXFLUNQRXFCN-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358817411 286160810 /nfs/dbraw/zinc/16/08/10/286160810.db2.gz BZCJASZVHMEZDD-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828554 286163701 /nfs/dbraw/zinc/16/37/01/286163701.db2.gz OTZMPCATBZNNQH-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC(C)C ZINC000422561544 286220821 /nfs/dbraw/zinc/22/08/21/286220821.db2.gz LVSGSGGLDIGIRX-INMHGKMJSA-N 2 1 320.477 3.288 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359117272 286241024 /nfs/dbraw/zinc/24/10/24/286241024.db2.gz SHBDEQFVVBZTPE-MDNKFWRPSA-N 2 1 319.537 3.246 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359644265 286352962 /nfs/dbraw/zinc/35/29/62/286352962.db2.gz QSWQNWRVSNVZGL-AWEZNQCLSA-N 2 1 317.477 3.297 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359644265 286352963 /nfs/dbraw/zinc/35/29/63/286352963.db2.gz QSWQNWRVSNVZGL-AWEZNQCLSA-N 2 1 317.477 3.297 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808777 286384197 /nfs/dbraw/zinc/38/41/97/286384197.db2.gz RYZPRVZWGZBYFK-YLJYHZDGSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808777 286384199 /nfs/dbraw/zinc/38/41/99/286384199.db2.gz RYZPRVZWGZBYFK-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000359924824 286389670 /nfs/dbraw/zinc/38/96/70/286389670.db2.gz JHTMOAJKWZXBDG-LPHOPBHVSA-N 2 1 304.478 3.433 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152403404 292337902 /nfs/dbraw/zinc/33/79/02/292337902.db2.gz RAPDFWJRVHEWGP-CRAIPNDOSA-N 2 1 300.446 3.283 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361184523 286618870 /nfs/dbraw/zinc/61/88/70/286618870.db2.gz RQJQOHVFLLJVNQ-VQIMIIECSA-N 2 1 314.473 3.155 20 0 DGADMP c1nn([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c2ccccc12 ZINC000364607755 287044048 /nfs/dbraw/zinc/04/40/48/287044048.db2.gz HEYVJDFNLQXCOB-GOSISDBHSA-N 2 1 312.461 3.159 20 0 DGADMP CCn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951753 287079059 /nfs/dbraw/zinc/07/90/59/287079059.db2.gz NTBVAEAWOAPARS-PKOBYXMFSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951753 287079061 /nfs/dbraw/zinc/07/90/61/287079061.db2.gz NTBVAEAWOAPARS-PKOBYXMFSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951753 287079062 /nfs/dbraw/zinc/07/90/62/287079062.db2.gz NTBVAEAWOAPARS-PKOBYXMFSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951753 287079063 /nfs/dbraw/zinc/07/90/63/287079063.db2.gz NTBVAEAWOAPARS-PKOBYXMFSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000364951752 287079194 /nfs/dbraw/zinc/07/91/94/287079194.db2.gz NTBVAEAWOAPARS-MJGOQNOKSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000364951752 287079197 /nfs/dbraw/zinc/07/91/97/287079197.db2.gz NTBVAEAWOAPARS-MJGOQNOKSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000364951752 287079198 /nfs/dbraw/zinc/07/91/98/287079198.db2.gz NTBVAEAWOAPARS-MJGOQNOKSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000364951752 287079200 /nfs/dbraw/zinc/07/92/00/287079200.db2.gz NTBVAEAWOAPARS-MJGOQNOKSA-N 2 1 318.509 3.032 20 0 DGADMP C[C@@H]([NH2+]CCCOCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365013650 287087078 /nfs/dbraw/zinc/08/70/78/287087078.db2.gz GWJDZFFZHQNNEO-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186562266 165050484 /nfs/dbraw/zinc/05/04/84/165050484.db2.gz COXGSWPESVCYKB-INIZCTEOSA-N 2 1 301.459 3.063 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186562266 165050488 /nfs/dbraw/zinc/05/04/88/165050488.db2.gz COXGSWPESVCYKB-INIZCTEOSA-N 2 1 301.459 3.063 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2C)CC1 ZINC000192494504 165294280 /nfs/dbraw/zinc/29/42/80/165294280.db2.gz JXOLZNSKYXXMNQ-UHFFFAOYSA-N 2 1 324.472 3.140 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000192959380 165312628 /nfs/dbraw/zinc/31/26/28/165312628.db2.gz DCVQRGHTGSVQLB-YQQQUEKLSA-N 2 1 324.472 3.204 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194448510 165346884 /nfs/dbraw/zinc/34/68/84/165346884.db2.gz WUQJUBNRBHSZMG-QFBILLFUSA-N 2 1 300.446 3.494 20 0 DGADMP C[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000194558645 165351128 /nfs/dbraw/zinc/35/11/28/165351128.db2.gz ZDQBBINYUFKDRZ-SFHVURJKSA-N 2 1 316.489 3.415 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000129139327 196022950 /nfs/dbraw/zinc/02/29/50/196022950.db2.gz FCNKRRIOPSLHJY-IINYFYTJSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000129139327 196022951 /nfs/dbraw/zinc/02/29/51/196022951.db2.gz FCNKRRIOPSLHJY-IINYFYTJSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000246667723 432153134 /nfs/dbraw/zinc/15/31/34/432153134.db2.gz FGVGKBDNORKEJJ-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000246667723 432153138 /nfs/dbraw/zinc/15/31/38/432153138.db2.gz FGVGKBDNORKEJJ-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000246667723 432153140 /nfs/dbraw/zinc/15/31/40/432153140.db2.gz FGVGKBDNORKEJJ-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000246667723 432153144 /nfs/dbraw/zinc/15/31/44/432153144.db2.gz FGVGKBDNORKEJJ-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000246886253 432177982 /nfs/dbraw/zinc/17/79/82/432177982.db2.gz FEESBLHSVOGZOX-OWCLPIDISA-N 2 1 302.462 3.261 20 0 DGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000246911389 432180399 /nfs/dbraw/zinc/18/03/99/432180399.db2.gz GGXNAFWSOXLMPK-OKYOBFRVSA-N 2 1 309.542 3.205 20 0 DGADMP Fc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246949553 432184977 /nfs/dbraw/zinc/18/49/77/432184977.db2.gz UNXINIXEBDYKRI-KXBFYZLASA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246949553 432184980 /nfs/dbraw/zinc/18/49/80/432184980.db2.gz UNXINIXEBDYKRI-KXBFYZLASA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246949553 432184982 /nfs/dbraw/zinc/18/49/82/432184982.db2.gz UNXINIXEBDYKRI-KXBFYZLASA-N 2 1 318.436 3.153 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000182437301 432189812 /nfs/dbraw/zinc/18/98/12/432189812.db2.gz PCBDUFRLTSQOGC-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000182437301 432189818 /nfs/dbraw/zinc/18/98/18/432189818.db2.gz PCBDUFRLTSQOGC-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182437301 432189821 /nfs/dbraw/zinc/18/98/21/432189821.db2.gz PCBDUFRLTSQOGC-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011365 432190537 /nfs/dbraw/zinc/19/05/37/432190537.db2.gz LFVJJQUZXXIEOH-PXNSSMCTSA-N 3 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011365 432190541 /nfs/dbraw/zinc/19/05/41/432190541.db2.gz LFVJJQUZXXIEOH-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011365 432190544 /nfs/dbraw/zinc/19/05/44/432190544.db2.gz LFVJJQUZXXIEOH-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011365 432190547 /nfs/dbraw/zinc/19/05/47/432190547.db2.gz LFVJJQUZXXIEOH-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP Fc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150779012 432191807 /nfs/dbraw/zinc/19/18/07/432191807.db2.gz DMOKHXHAOZTMQW-INIZCTEOSA-N 2 1 306.425 3.012 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000246939161 432182827 /nfs/dbraw/zinc/18/28/27/432182827.db2.gz HMYDLFIGKKUXFM-HKUYNNGSSA-N 2 1 303.494 3.223 20 0 DGADMP OCC[NH+]1CCC(CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000172151049 432199515 /nfs/dbraw/zinc/19/95/15/432199515.db2.gz VFBCCUDIWFUXSR-UHFFFAOYSA-N 2 1 319.836 3.004 20 0 DGADMP CC(C)[C@@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247073267 432199859 /nfs/dbraw/zinc/19/98/59/432199859.db2.gz OJNUAFKQJBBQLC-FCGDIQPGSA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000247097350 432201261 /nfs/dbraw/zinc/20/12/61/432201261.db2.gz PUXFVDKOTKNICK-ZJXIFLPPSA-N 2 1 316.489 3.473 20 0 DGADMP Cc1nccn1CCC[N@@H+](C)CCCOCCc1ccccc1 ZINC000269731549 432202656 /nfs/dbraw/zinc/20/26/56/432202656.db2.gz XVUCXVSNWMUURY-UHFFFAOYSA-N 2 1 315.461 3.163 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOCCc1ccccc1 ZINC000269731549 432202658 /nfs/dbraw/zinc/20/26/58/432202658.db2.gz XVUCXVSNWMUURY-UHFFFAOYSA-N 2 1 315.461 3.163 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOCCc1ccccc1 ZINC000269731549 432202662 /nfs/dbraw/zinc/20/26/62/432202662.db2.gz XVUCXVSNWMUURY-UHFFFAOYSA-N 2 1 315.461 3.163 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247159169 432208103 /nfs/dbraw/zinc/20/81/03/432208103.db2.gz XSKMAKNUJQRNQH-ZACQAIPSSA-N 2 1 322.468 3.236 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000190956910 432205997 /nfs/dbraw/zinc/20/59/97/432205997.db2.gz MOEPJTJHYBYKBY-GOSISDBHSA-N 2 1 318.509 3.136 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000190956910 432206003 /nfs/dbraw/zinc/20/60/03/432206003.db2.gz MOEPJTJHYBYKBY-GOSISDBHSA-N 2 1 318.509 3.136 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000182748499 432224823 /nfs/dbraw/zinc/22/48/23/432224823.db2.gz OPTQNGSOKUDGQU-IBGZPJMESA-N 2 1 309.542 3.305 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000182748499 432224824 /nfs/dbraw/zinc/22/48/24/432224824.db2.gz OPTQNGSOKUDGQU-IBGZPJMESA-N 2 1 309.542 3.305 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000172574342 432222362 /nfs/dbraw/zinc/22/23/62/432222362.db2.gz BHJCTNVBBDKWAZ-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000172574342 432222366 /nfs/dbraw/zinc/22/23/66/432222366.db2.gz BHJCTNVBBDKWAZ-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574342 432222370 /nfs/dbraw/zinc/22/23/70/432222370.db2.gz BHJCTNVBBDKWAZ-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574342 432222373 /nfs/dbraw/zinc/22/23/73/432222373.db2.gz BHJCTNVBBDKWAZ-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP c1ccc2sc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000269922971 432222445 /nfs/dbraw/zinc/22/24/45/432222445.db2.gz AXPPZFFRLHLHNS-KGLIPLIRSA-N 2 1 301.459 3.055 20 0 DGADMP FC(F)(F)SCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000132146360 196230108 /nfs/dbraw/zinc/23/01/08/196230108.db2.gz QGYRSBWOZCHPJQ-UHFFFAOYSA-N 2 1 318.408 3.494 20 0 DGADMP CSCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000132497486 196260380 /nfs/dbraw/zinc/26/03/80/196260380.db2.gz MJMNJBNXCQJGJZ-UHFFFAOYSA-N 2 1 310.482 3.175 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422876004 287347855 /nfs/dbraw/zinc/34/78/55/287347855.db2.gz FSTUMSYRALMFRA-FUMNGEBKSA-N 3 1 321.553 3.399 20 0 DGADMP COCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000291104555 222140554 /nfs/dbraw/zinc/14/05/54/222140554.db2.gz JRHGSFFGCJJHJW-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP COCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000291104555 222140557 /nfs/dbraw/zinc/14/05/57/222140557.db2.gz JRHGSFFGCJJHJW-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc[nH+]1 ZINC000302406187 230235276 /nfs/dbraw/zinc/23/52/76/230235276.db2.gz HQNJXJFAMYNFIM-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCC1 ZINC000193964571 263804348 /nfs/dbraw/zinc/80/43/48/263804348.db2.gz AZKDAENJBBZYTJ-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP CC[NH+](CC)CCN(CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000346272358 264000760 /nfs/dbraw/zinc/00/07/60/264000760.db2.gz GVVLFHZPDMLOPL-UHFFFAOYSA-N 2 1 314.477 3.036 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000346348762 264015660 /nfs/dbraw/zinc/01/56/60/264015660.db2.gz YNCDBPYZCSMQGF-RWQQGDIJSA-N 2 1 307.526 3.102 20 0 DGADMP C[N@@H+](CCc1ccccc1O)Cc1cc(-n2ccnc2)cs1 ZINC000346368919 264020042 /nfs/dbraw/zinc/02/00/42/264020042.db2.gz IVTNLCFUDRPQJB-UHFFFAOYSA-N 2 1 313.426 3.314 20 0 DGADMP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000346592149 264061092 /nfs/dbraw/zinc/06/10/92/264061092.db2.gz JXPOREWGVKTADW-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000346692961 264080842 /nfs/dbraw/zinc/08/08/42/264080842.db2.gz KCDAYSKPTIZVFR-UHFFFAOYSA-N 2 1 306.784 3.358 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000346694535 264081228 /nfs/dbraw/zinc/08/12/28/264081228.db2.gz USPKFKUHZUFLPV-UHFFFAOYSA-N 2 1 320.868 3.048 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)C[C@H]12 ZINC000346814020 264102238 /nfs/dbraw/zinc/10/22/38/264102238.db2.gz BILZKHQWKYYWDA-KGYLQXTDSA-N 2 1 305.472 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@H]12 ZINC000346814020 264102241 /nfs/dbraw/zinc/10/22/41/264102241.db2.gz BILZKHQWKYYWDA-KGYLQXTDSA-N 2 1 305.472 3.041 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(OC(F)F)cc1C ZINC000346830222 264105249 /nfs/dbraw/zinc/10/52/49/264105249.db2.gz KFWNLOFGHVIKCT-BPUTZDHNSA-N 2 1 324.415 3.464 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346843037 264107606 /nfs/dbraw/zinc/10/76/06/264107606.db2.gz JFWZJAFWIHMIQL-NUEKZKHPSA-N 2 1 323.278 3.317 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC000346849410 264108043 /nfs/dbraw/zinc/10/80/43/264108043.db2.gz SFVZWBPLQYBMCY-UAGQMJEPSA-N 2 1 318.461 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]21 ZINC000346864697 264112009 /nfs/dbraw/zinc/11/20/09/264112009.db2.gz YYYSEWPFRUWIDW-BZUAXINKSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]21 ZINC000346864697 264112011 /nfs/dbraw/zinc/11/20/11/264112011.db2.gz YYYSEWPFRUWIDW-BZUAXINKSA-N 2 1 313.470 3.369 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000346995570 264136100 /nfs/dbraw/zinc/13/61/00/264136100.db2.gz BLSLVPDHHDVFQC-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000347035373 264145128 /nfs/dbraw/zinc/14/51/28/264145128.db2.gz GOLDJNURTQHPKQ-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000347035373 264145131 /nfs/dbraw/zinc/14/51/31/264145131.db2.gz GOLDJNURTQHPKQ-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347040339 264146167 /nfs/dbraw/zinc/14/61/67/264146167.db2.gz HXFHICPTLCPTLN-KRWDZBQOSA-N 2 1 320.477 3.291 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347040339 264146168 /nfs/dbraw/zinc/14/61/68/264146168.db2.gz HXFHICPTLCPTLN-KRWDZBQOSA-N 2 1 320.477 3.291 20 0 DGADMP C[NH2+]C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000347045688 264146706 /nfs/dbraw/zinc/14/67/06/264146706.db2.gz NXHKEJPFFNZOMZ-UHFFFAOYSA-N 2 1 320.440 3.209 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347061744 264149604 /nfs/dbraw/zinc/14/96/04/264149604.db2.gz YXJQCBISDLRGFP-JWTNVVGKSA-N 2 1 310.445 3.100 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347061744 264149607 /nfs/dbraw/zinc/14/96/07/264149607.db2.gz YXJQCBISDLRGFP-JWTNVVGKSA-N 2 1 310.445 3.100 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347065757 264150758 /nfs/dbraw/zinc/15/07/58/264150758.db2.gz YWOKDKQQLRRAHW-SFHVURJKSA-N 2 1 324.896 3.050 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347087248 264153793 /nfs/dbraw/zinc/15/37/93/264153793.db2.gz DNVOBFKZSKMMRH-QGZVFWFLSA-N 2 1 320.440 3.196 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347087459 264154697 /nfs/dbraw/zinc/15/46/97/264154697.db2.gz DRTYZTZKEAZLMA-CYBMUJFWSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347087459 264154698 /nfs/dbraw/zinc/15/46/98/264154698.db2.gz DRTYZTZKEAZLMA-CYBMUJFWSA-N 2 1 316.367 3.059 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC000347090415 264154779 /nfs/dbraw/zinc/15/47/79/264154779.db2.gz GBAHLIZXHJRVSN-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347097258 264156022 /nfs/dbraw/zinc/15/60/22/264156022.db2.gz JEOKPBXDNPNGJP-CABCVRRESA-N 2 1 307.457 3.089 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347097258 264156024 /nfs/dbraw/zinc/15/60/24/264156024.db2.gz JEOKPBXDNPNGJP-CABCVRRESA-N 2 1 307.457 3.089 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347165375 264167751 /nfs/dbraw/zinc/16/77/51/264167751.db2.gz JXSHWCLRKQDRTM-GOSISDBHSA-N 2 1 310.445 3.041 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347182127 264171539 /nfs/dbraw/zinc/17/15/39/264171539.db2.gz WEDSLZLZTCVICK-OAHLLOKOSA-N 2 1 313.420 3.319 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347182127 264171540 /nfs/dbraw/zinc/17/15/40/264171540.db2.gz WEDSLZLZTCVICK-OAHLLOKOSA-N 2 1 313.420 3.319 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347193869 264173751 /nfs/dbraw/zinc/17/37/51/264173751.db2.gz GJTQWMPRXLPLEL-YOEHRIQHSA-N 2 1 313.420 3.447 20 0 DGADMP COC1CC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000347213614 264177093 /nfs/dbraw/zinc/17/70/93/264177093.db2.gz IADJSMIWWZXVMB-MNNVXMFVSA-N 2 1 302.462 3.328 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2SCCc3ccccc32)[C@@H](C)C1 ZINC000347425194 264218391 /nfs/dbraw/zinc/21/83/91/264218391.db2.gz XXESFGBLBXSFMA-JCGIZDLHSA-N 2 1 304.503 3.337 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2SCCc3ccccc32)[C@H](C)C1 ZINC000347425197 264218401 /nfs/dbraw/zinc/21/84/01/264218401.db2.gz XXESFGBLBXSFMA-JLSDUUJJSA-N 2 1 304.503 3.337 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347548386 264239458 /nfs/dbraw/zinc/23/94/58/264239458.db2.gz YNWOJEOTFVHXNL-IBGZPJMESA-N 2 1 317.477 3.189 20 0 DGADMP Cc1ccncc1CCC[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000347874317 264300160 /nfs/dbraw/zinc/30/01/60/264300160.db2.gz HHPBRIYVNFPIGA-MRXNPFEDSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccncc1CCC[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000347874317 264300161 /nfs/dbraw/zinc/30/01/61/264300161.db2.gz HHPBRIYVNFPIGA-MRXNPFEDSA-N 2 1 303.494 3.423 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1 ZINC000348083285 264336682 /nfs/dbraw/zinc/33/66/82/264336682.db2.gz VCGXHWKBDSSELH-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1 ZINC000348083285 264336679 /nfs/dbraw/zinc/33/66/79/264336679.db2.gz VCGXHWKBDSSELH-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1 ZINC000348083285 264336681 /nfs/dbraw/zinc/33/66/81/264336681.db2.gz VCGXHWKBDSSELH-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(Br)c1 ZINC000348083285 264336684 /nfs/dbraw/zinc/33/66/84/264336684.db2.gz VCGXHWKBDSSELH-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348088996 264337406 /nfs/dbraw/zinc/33/74/06/264337406.db2.gz TZLUDQCQDJQVTA-FFGOWVMKSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000348112730 264343022 /nfs/dbraw/zinc/34/30/22/264343022.db2.gz REYQYJLOINZTNV-BHIYHBOVSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000348112730 264343024 /nfs/dbraw/zinc/34/30/24/264343024.db2.gz REYQYJLOINZTNV-BHIYHBOVSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000348125180 264346221 /nfs/dbraw/zinc/34/62/21/264346221.db2.gz XQOHLNQDMARTIL-IAGOWNOFSA-N 2 1 305.466 3.282 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348145921 264352177 /nfs/dbraw/zinc/35/21/77/264352177.db2.gz UDDPLWFNJRYHMR-KCUHQSDYSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1CCSCC[NH+]1C/C=C\C[N@@H+]1CCSCC[C@@H]1C ZINC000348159896 264354841 /nfs/dbraw/zinc/35/48/41/264354841.db2.gz OFELARRVOBTRRX-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CCSCC[N@H+]1C/C=C\C[NH+]1CCSCC[C@@H]1C ZINC000348159896 264354842 /nfs/dbraw/zinc/35/48/42/264354842.db2.gz OFELARRVOBTRRX-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CCSCC[N@@H+]1C/C=C\C[NH+]1CCSCC[C@@H]1C ZINC000348159896 264354843 /nfs/dbraw/zinc/35/48/43/264354843.db2.gz OFELARRVOBTRRX-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000348266226 264378375 /nfs/dbraw/zinc/37/83/75/264378375.db2.gz HGRUGXAXSIPEGQ-OAHLLOKOSA-N 2 1 315.486 3.460 20 0 DGADMP Cc1ccnc(N2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)c1 ZINC000352344254 265009070 /nfs/dbraw/zinc/00/90/70/265009070.db2.gz DFUMAYCTKIEDIJ-NVXWUHKLSA-N 2 1 311.429 3.429 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000352478113 265063911 /nfs/dbraw/zinc/06/39/11/265063911.db2.gz SHJQEQAXWVUQDV-ZDUSSCGKSA-N 2 1 300.805 3.061 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccc(F)cc1Cl ZINC000352478113 265063912 /nfs/dbraw/zinc/06/39/12/265063912.db2.gz SHJQEQAXWVUQDV-ZDUSSCGKSA-N 2 1 300.805 3.061 20 0 DGADMP Cc1cccc(C)c1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352508874 265074276 /nfs/dbraw/zinc/07/42/76/265074276.db2.gz IEPLNFNIACRQSZ-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP Cc1cccc(C)c1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352508874 265074279 /nfs/dbraw/zinc/07/42/79/265074279.db2.gz IEPLNFNIACRQSZ-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000352554900 265087152 /nfs/dbraw/zinc/08/71/52/265087152.db2.gz IIURUSYDNGBTBL-UXLLHSPISA-N 2 1 323.456 3.151 20 0 DGADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](C)c1ccccc1 ZINC000352748287 265150494 /nfs/dbraw/zinc/15/04/94/265150494.db2.gz ICGXDVLTRMZNFX-UONOGXRCSA-N 2 1 303.475 3.487 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NCc1ncc(C[NH+](C)C)s1 ZINC000352757939 265154428 /nfs/dbraw/zinc/15/44/28/265154428.db2.gz WDYLMTZJNCEFEP-UHFFFAOYSA-N 2 1 318.490 3.187 20 0 DGADMP CC(C)CSCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352783499 265164498 /nfs/dbraw/zinc/16/44/98/265164498.db2.gz CNPSAOIKMSNCLI-UHFFFAOYSA-N 2 1 301.525 3.074 20 0 DGADMP COc1cccc(OC)c1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000352811508 265177352 /nfs/dbraw/zinc/17/73/52/265177352.db2.gz DQQGPFPOHCYHIW-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000352838056 265190681 /nfs/dbraw/zinc/19/06/81/265190681.db2.gz DKLTWGUYWJQVPS-ZIAGYGMSSA-N 2 1 314.351 3.127 20 0 DGADMP Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000352838056 265190684 /nfs/dbraw/zinc/19/06/84/265190684.db2.gz DKLTWGUYWJQVPS-ZIAGYGMSSA-N 2 1 314.351 3.127 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352837341 265191223 /nfs/dbraw/zinc/19/12/23/265191223.db2.gz ZOZJQQNTKHFXFW-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352967618 265250258 /nfs/dbraw/zinc/25/02/58/265250258.db2.gz MCUOHJNXSSMHLH-LFGUQSLTSA-N 2 1 316.489 3.444 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(O)CCC(C(C)(C)C)CC1 ZINC000353074606 265288122 /nfs/dbraw/zinc/28/81/22/265288122.db2.gz VNJGNJFGUYHYBV-UHFFFAOYSA-N 2 1 319.493 3.205 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000354963944 265927698 /nfs/dbraw/zinc/92/76/98/265927698.db2.gz XHPMSQAGOSXUBS-DYVFJYSZSA-N 2 1 310.869 3.490 20 0 DGADMP COc1ccsc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355213318 266002196 /nfs/dbraw/zinc/00/21/96/266002196.db2.gz QIKCWXDFUXYHCE-ZFWWWQNUSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355213318 266002198 /nfs/dbraw/zinc/00/21/98/266002198.db2.gz QIKCWXDFUXYHCE-ZFWWWQNUSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355213318 266002200 /nfs/dbraw/zinc/00/22/00/266002200.db2.gz QIKCWXDFUXYHCE-ZFWWWQNUSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355213318 266002202 /nfs/dbraw/zinc/00/22/02/266002202.db2.gz QIKCWXDFUXYHCE-ZFWWWQNUSA-N 2 1 306.475 3.205 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355219801 266003502 /nfs/dbraw/zinc/00/35/02/266003502.db2.gz ZXKUSHDABCCJKE-MAUKXSAKSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355219801 266003505 /nfs/dbraw/zinc/00/35/05/266003505.db2.gz ZXKUSHDABCCJKE-MAUKXSAKSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355219801 266003508 /nfs/dbraw/zinc/00/35/08/266003508.db2.gz ZXKUSHDABCCJKE-MAUKXSAKSA-N 2 1 310.445 3.012 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1coc2ccccc12 ZINC000355219772 266003715 /nfs/dbraw/zinc/00/37/15/266003715.db2.gz ZHZUTGMSSJWQJO-SZVBFZGTSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1coc2ccccc12 ZINC000355219766 266004028 /nfs/dbraw/zinc/00/40/28/266004028.db2.gz ZHZUTGMSSJWQJO-AYBZRNKSSA-N 2 1 314.429 3.116 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000355219470 266004225 /nfs/dbraw/zinc/00/42/25/266004225.db2.gz JKAJUOOBCDBOKQ-CXAGYDPISA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000355219470 266004230 /nfs/dbraw/zinc/00/42/30/266004230.db2.gz JKAJUOOBCDBOKQ-CXAGYDPISA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000355219470 266004234 /nfs/dbraw/zinc/00/42/34/266004234.db2.gz JKAJUOOBCDBOKQ-CXAGYDPISA-N 2 1 302.393 3.488 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000355285290 266026427 /nfs/dbraw/zinc/02/64/27/266026427.db2.gz TZWMUBNOGJZCPW-HSALFYBXSA-N 2 1 316.489 3.241 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cn1 ZINC000356376270 266372972 /nfs/dbraw/zinc/37/29/72/266372972.db2.gz ZPAQQDNIPNBSNY-FQEVSTJZSA-N 2 1 321.468 3.460 20 0 DGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000151378901 432243371 /nfs/dbraw/zinc/24/33/71/432243371.db2.gz FPTDLZYUNIWZEE-QGZVFWFLSA-N 2 1 310.869 3.228 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191307794 432248273 /nfs/dbraw/zinc/24/82/73/432248273.db2.gz UUOUAZCTWFQJNL-CQSZACIVSA-N 2 1 303.454 3.408 20 0 DGADMP Cc1cccc(CCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000367950097 271103106 /nfs/dbraw/zinc/10/31/06/271103106.db2.gz JYBLJNMQHNKUFB-XUVXKRRUSA-N 2 1 316.489 3.111 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482695 271163449 /nfs/dbraw/zinc/16/34/49/271163449.db2.gz LATKFPIQORBUMU-VNTMZGSJSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482695 271163452 /nfs/dbraw/zinc/16/34/52/271163452.db2.gz LATKFPIQORBUMU-VNTMZGSJSA-N 2 1 314.473 3.056 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530141 271166183 /nfs/dbraw/zinc/16/61/83/271166183.db2.gz IVSAHRQTGSMMGV-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)c1 ZINC000370736879 271386977 /nfs/dbraw/zinc/38/69/77/271386977.db2.gz AZZVWMLIVNCNFJ-UXHICEINSA-N 2 1 307.441 3.465 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247958994 432256905 /nfs/dbraw/zinc/25/69/05/432256905.db2.gz FYLMHXSAEGCEMJ-MJQMVNBJSA-N 2 1 317.521 3.434 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OCC(C)C ZINC000415060547 533689116 /nfs/dbraw/zinc/68/91/16/533689116.db2.gz YPIRQBSJQNVEDA-KRWDZBQOSA-N 2 1 320.477 3.337 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000268819652 274136127 /nfs/dbraw/zinc/13/61/27/274136127.db2.gz NTRUDQCFBOCVPI-IFXJQAMLSA-N 2 1 300.446 3.147 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427714927 274209167 /nfs/dbraw/zinc/20/91/67/274209167.db2.gz NVWYAOMWWKKCRQ-NHYWBVRUSA-N 2 1 315.383 3.408 20 0 DGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423462943 274210760 /nfs/dbraw/zinc/21/07/60/274210760.db2.gz AALVFXMLHJEMGV-NWDGAFQWSA-N 2 1 318.358 3.120 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423004720 274318717 /nfs/dbraw/zinc/31/87/17/274318717.db2.gz PWRAYAQJBAZXGM-MRBRGOBGSA-N 2 1 314.473 3.372 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409709 274347849 /nfs/dbraw/zinc/34/78/49/274347849.db2.gz IIFCTDGLMFHJKN-NVXWUHKLSA-N 2 1 320.477 3.384 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409709 274347851 /nfs/dbraw/zinc/34/78/51/274347851.db2.gz IIFCTDGLMFHJKN-NVXWUHKLSA-N 2 1 320.477 3.384 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000191384857 432258911 /nfs/dbraw/zinc/25/89/11/432258911.db2.gz AWLUVXHBWJFUFK-UHFFFAOYSA-N 2 1 323.912 3.188 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Br)c1Cl ZINC000423167247 274496389 /nfs/dbraw/zinc/49/63/89/274496389.db2.gz DXGQZSFYGFMIEI-DTWKUNHWSA-N 2 1 305.647 3.318 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000247976845 432259088 /nfs/dbraw/zinc/25/90/88/432259088.db2.gz LGHUXJFLLLELAY-LPHOPBHVSA-N 2 1 322.468 3.095 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000249062153 275053082 /nfs/dbraw/zinc/05/30/82/275053082.db2.gz PVTLEMFABWNPDF-FGTMMUONSA-N 2 1 318.461 3.015 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000466347680 275389919 /nfs/dbraw/zinc/38/99/19/275389919.db2.gz SPPKXKDUTQMARQ-HAGHYFMRSA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000466347680 275389920 /nfs/dbraw/zinc/38/99/20/275389920.db2.gz SPPKXKDUTQMARQ-HAGHYFMRSA-N 2 1 320.521 3.436 20 0 DGADMP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000261823008 276000544 /nfs/dbraw/zinc/00/05/44/276000544.db2.gz IMAYZBCJYUZKLJ-DLBZAZTESA-N 2 1 317.477 3.034 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000261823008 276000545 /nfs/dbraw/zinc/00/05/45/276000545.db2.gz IMAYZBCJYUZKLJ-DLBZAZTESA-N 2 1 317.477 3.034 20 0 DGADMP CC(C)[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282357497 276018471 /nfs/dbraw/zinc/01/84/71/276018471.db2.gz NAXWLRJHBXSRPV-IBGZPJMESA-N 2 1 317.521 3.042 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000361336435 276100375 /nfs/dbraw/zinc/10/03/75/276100375.db2.gz NURFAIPYTIDCRQ-MJGOQNOKSA-N 2 1 320.452 3.246 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422688085 276110264 /nfs/dbraw/zinc/11/02/64/276110264.db2.gz CMPXPDLWVBXESQ-MOPGFXCFSA-N 3 1 303.494 3.278 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000264467276 276198607 /nfs/dbraw/zinc/19/86/07/276198607.db2.gz SXCHGWHQRMERKB-CRAIPNDOSA-N 2 1 321.896 3.113 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CC2 ZINC000414832532 277439398 /nfs/dbraw/zinc/43/93/98/277439398.db2.gz DSNYOQNZGISZCM-IEBWSBKVSA-N 2 1 302.462 3.050 20 0 DGADMP COCC1CCC([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000449138557 277485657 /nfs/dbraw/zinc/48/56/57/277485657.db2.gz CHJIBLGGZBQJIR-UHFFFAOYSA-N 2 1 317.477 3.154 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000166403621 278051824 /nfs/dbraw/zinc/05/18/24/278051824.db2.gz QWFKWDFQPQTHCA-JQHSSLGASA-N 2 1 304.478 3.335 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000166403621 278051825 /nfs/dbraw/zinc/05/18/25/278051825.db2.gz QWFKWDFQPQTHCA-JQHSSLGASA-N 2 1 304.478 3.335 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000344142569 278179843 /nfs/dbraw/zinc/17/98/43/278179843.db2.gz ZZTJLHIZVHACGN-QGZVFWFLSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344142569 278179844 /nfs/dbraw/zinc/17/98/44/278179844.db2.gz ZZTJLHIZVHACGN-QGZVFWFLSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293738404 278229237 /nfs/dbraw/zinc/22/92/37/278229237.db2.gz NISGBENMGKFWOY-GXSJLCMTSA-N 2 1 317.296 3.428 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn[nH]c1 ZINC000284160515 278358477 /nfs/dbraw/zinc/35/84/77/278358477.db2.gz PUKNITGDECRWHC-OAHLLOKOSA-N 2 1 324.428 3.486 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193811 278370894 /nfs/dbraw/zinc/37/08/94/278370894.db2.gz IBSARLPISGJQGP-RVKKMQEKSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000423263158 278379972 /nfs/dbraw/zinc/37/99/72/278379972.db2.gz NYFLDMYTCMJTIK-CZUORRHYSA-N 2 1 304.434 3.016 20 0 DGADMP CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000423068204 288050406 /nfs/dbraw/zinc/05/04/06/288050406.db2.gz BDUUBYNJKLWISN-FFGOWVMKSA-N 2 1 318.505 3.127 20 0 DGADMP CC1CCN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000261769305 278530945 /nfs/dbraw/zinc/53/09/45/278530945.db2.gz MMXSTYXFGGXFCN-HNNXBMFYSA-N 2 1 320.506 3.141 20 0 DGADMP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000261753680 279013493 /nfs/dbraw/zinc/01/34/93/279013493.db2.gz CJWVELWSADKCKZ-GFCCVEGCSA-N 2 1 323.278 3.195 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414663891 279324147 /nfs/dbraw/zinc/32/41/47/279324147.db2.gz SEPJFGHVOOHIOK-UPJWGTAASA-N 2 1 300.368 3.478 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000070984139 431268502 /nfs/dbraw/zinc/26/85/02/431268502.db2.gz BPWNPFCKMXPRJU-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2ccncc2)C1 ZINC000113934642 431369590 /nfs/dbraw/zinc/36/95/90/431369590.db2.gz WNLUBZWLHABIOS-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000113934642 431369597 /nfs/dbraw/zinc/36/95/97/431369597.db2.gz WNLUBZWLHABIOS-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000113934642 431369602 /nfs/dbraw/zinc/36/96/02/431369602.db2.gz WNLUBZWLHABIOS-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000113934642 431369609 /nfs/dbraw/zinc/36/96/09/431369609.db2.gz WNLUBZWLHABIOS-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000113934642 431369617 /nfs/dbraw/zinc/36/96/17/431369617.db2.gz WNLUBZWLHABIOS-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C(F)F)CC2)C[C@H](C)O1 ZINC000442799603 288159442 /nfs/dbraw/zinc/15/94/42/288159442.db2.gz YYOKEXUYPYLKFE-PJPHBNEVSA-N 2 1 318.452 3.289 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000076002907 431515011 /nfs/dbraw/zinc/51/50/11/431515011.db2.gz MATWDEVBOVGBJS-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000076002907 431515017 /nfs/dbraw/zinc/51/50/17/431515017.db2.gz MATWDEVBOVGBJS-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000021808448 431631651 /nfs/dbraw/zinc/63/16/51/431631651.db2.gz PAYBDDOFDBGADN-UHFFFAOYSA-N 2 1 304.356 3.407 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119438093 431692409 /nfs/dbraw/zinc/69/24/09/431692409.db2.gz UMLJVEYJELDWMF-AWEZNQCLSA-N 2 1 305.397 3.273 20 0 DGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000119821742 431718717 /nfs/dbraw/zinc/71/87/17/431718717.db2.gz YJDFQFMTUQKBLR-IIDMSEBBSA-N 2 1 317.477 3.099 20 0 DGADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CCC2 ZINC000121495502 431796086 /nfs/dbraw/zinc/79/60/86/431796086.db2.gz OUBGGNUUSWAWCW-RISCZKNCSA-N 2 1 304.463 3.260 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037644445 431849103 /nfs/dbraw/zinc/84/91/03/431849103.db2.gz FDVLICLXTIGXKL-LLVKDONJSA-N 2 1 318.795 3.373 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037644445 431849105 /nfs/dbraw/zinc/84/91/05/431849105.db2.gz FDVLICLXTIGXKL-LLVKDONJSA-N 2 1 318.795 3.373 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000089513127 431869168 /nfs/dbraw/zinc/86/91/68/431869168.db2.gz VEHMAERIEIANGL-PEBXRYMYSA-N 2 1 322.518 3.338 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1csc(Br)c1 ZINC000035251047 431827681 /nfs/dbraw/zinc/82/76/81/431827681.db2.gz APXZEUBTGQDLIR-UHFFFAOYSA-N 2 1 305.285 3.188 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000125162531 431916777 /nfs/dbraw/zinc/91/67/77/431916777.db2.gz HWKJHDMZFULKDZ-LPHOPBHVSA-N 2 1 304.478 3.473 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093692810 431917225 /nfs/dbraw/zinc/91/72/25/431917225.db2.gz NEEWTDWCSXBORE-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093692810 431917227 /nfs/dbraw/zinc/91/72/27/431917227.db2.gz NEEWTDWCSXBORE-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000125238057 431918207 /nfs/dbraw/zinc/91/82/07/431918207.db2.gz LODUWDRXOXYURA-OLMNPRSZSA-N 2 1 304.478 3.090 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000125238479 431918711 /nfs/dbraw/zinc/91/87/11/431918711.db2.gz LODUWDRXOXYURA-JLSDUUJJSA-N 2 1 304.478 3.090 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000044534947 431874837 /nfs/dbraw/zinc/87/48/37/431874837.db2.gz YTKKJASRQJTJMB-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000044534947 431874840 /nfs/dbraw/zinc/87/48/40/431874840.db2.gz YTKKJASRQJTJMB-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CCC[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000124286623 431889231 /nfs/dbraw/zinc/88/92/31/431889231.db2.gz CLVXBWAEEJVOGI-WMLDXEAASA-N 2 1 316.493 3.478 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2Cl)[C@H](C)C1 ZINC000090116756 431890395 /nfs/dbraw/zinc/89/03/95/431890395.db2.gz HTOLUSGUIZWVOO-FMKPAKJESA-N 2 1 310.869 3.427 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000124349292 431890661 /nfs/dbraw/zinc/89/06/61/431890661.db2.gz ADRNBGPZMZMNSM-JKSUJKDBSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000090115897 431890695 /nfs/dbraw/zinc/89/06/95/431890695.db2.gz ZRAHUVBQFQIKRH-UMPJEAMMSA-N 2 1 310.869 3.426 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000124349499 431890862 /nfs/dbraw/zinc/89/08/62/431890862.db2.gz ADRNBGPZMZMNSM-HZPDHXFCSA-N 2 1 310.445 3.007 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccs1 ZINC000124408306 431892798 /nfs/dbraw/zinc/89/27/98/431892798.db2.gz VNPMQICFLCGJIP-MRXNPFEDSA-N 2 1 309.523 3.062 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCO2 ZINC000124388126 431893151 /nfs/dbraw/zinc/89/31/51/431893151.db2.gz UTCZOPWLXFYREE-KDOFPFPSSA-N 2 1 300.446 3.147 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000127480329 431972977 /nfs/dbraw/zinc/97/29/77/431972977.db2.gz ZGJFOVNPKBNYSG-JQWIXIFHSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000127480329 431972978 /nfs/dbraw/zinc/97/29/78/431972978.db2.gz ZGJFOVNPKBNYSG-JQWIXIFHSA-N 2 1 315.230 3.161 20 0 DGADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1Cl ZINC000423309053 280934167 /nfs/dbraw/zinc/93/41/67/280934167.db2.gz YSBDMBDSYAMKSP-ZDUSSCGKSA-N 2 1 317.658 3.363 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C2CC2)cc1 ZINC000098144168 431979577 /nfs/dbraw/zinc/97/95/77/431979577.db2.gz DEQGXZSMCOELGH-WOJBJXKFSA-N 2 1 316.489 3.129 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000125471287 431926719 /nfs/dbraw/zinc/92/67/19/431926719.db2.gz BBDUABMPFSSAED-KRWDZBQOSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000125471287 431926720 /nfs/dbraw/zinc/92/67/20/431926720.db2.gz BBDUABMPFSSAED-KRWDZBQOSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000125865708 431937494 /nfs/dbraw/zinc/93/74/94/431937494.db2.gz LVBKPURIHKLQEJ-HOTGVXAUSA-N 2 1 318.461 3.229 20 0 DGADMP CC(C)COc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000126387290 431949253 /nfs/dbraw/zinc/94/92/53/431949253.db2.gz IGURADADHVYGQD-UHFFFAOYSA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000126419613 431949833 /nfs/dbraw/zinc/94/98/33/431949833.db2.gz LLXPSKNOKRPKPY-CQSZACIVSA-N 2 1 322.412 3.435 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000126419869 431950110 /nfs/dbraw/zinc/95/01/10/431950110.db2.gz LLXPSKNOKRPKPY-AWEZNQCLSA-N 2 1 322.412 3.435 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cn1 ZINC000126470117 431950743 /nfs/dbraw/zinc/95/07/43/431950743.db2.gz ZHNNCOUFZOIRTR-HNNXBMFYSA-N 2 1 314.433 3.011 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000051919569 431953469 /nfs/dbraw/zinc/95/34/69/431953469.db2.gz WONKDBVGJRJPGO-CYBMUJFWSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829726 431958616 /nfs/dbraw/zinc/95/86/16/431958616.db2.gz NYBXYCLNLIINHJ-LSDHHAIUSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829726 431958619 /nfs/dbraw/zinc/95/86/19/431958619.db2.gz NYBXYCLNLIINHJ-LSDHHAIUSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126909228 431960504 /nfs/dbraw/zinc/96/05/04/431960504.db2.gz PTWANBZHMALZPN-HZPDHXFCSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126909228 431960505 /nfs/dbraw/zinc/96/05/05/431960505.db2.gz PTWANBZHMALZPN-HZPDHXFCSA-N 2 1 322.518 3.365 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1cccc(F)c1 ZINC000191483419 432268927 /nfs/dbraw/zinc/26/89/27/432268927.db2.gz KKYOOKSLTOVSQA-UHFFFAOYSA-N 2 1 319.424 3.376 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1cccc(F)c1 ZINC000191483419 432268931 /nfs/dbraw/zinc/26/89/31/432268931.db2.gz KKYOOKSLTOVSQA-UHFFFAOYSA-N 2 1 319.424 3.376 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000183197691 432269485 /nfs/dbraw/zinc/26/94/85/432269485.db2.gz JBSBRZQGZAPCED-HRCADAONSA-N 2 1 304.482 3.207 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000183197691 432269489 /nfs/dbraw/zinc/26/94/89/432269489.db2.gz JBSBRZQGZAPCED-HRCADAONSA-N 2 1 304.482 3.207 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1 ZINC000248132598 432270945 /nfs/dbraw/zinc/27/09/45/432270945.db2.gz OQGXQAJBJCHFHR-OALUTQOASA-N 2 1 304.478 3.273 20 0 DGADMP CCc1ccc([C@H](CO)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000422997155 281426235 /nfs/dbraw/zinc/42/62/35/281426235.db2.gz AQUWJFKQHLKMJM-SNRMKQJTSA-N 2 1 304.478 3.183 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248431020 432289905 /nfs/dbraw/zinc/28/99/05/432289905.db2.gz CABFLIMDCPWDQE-FXAWDEMLSA-N 2 1 324.468 3.412 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000151937232 432290996 /nfs/dbraw/zinc/29/09/96/432290996.db2.gz UEWQPEMYSASTOK-LBPRGKRZSA-N 2 1 304.463 3.116 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000270814020 432292899 /nfs/dbraw/zinc/29/28/99/432292899.db2.gz ICBJJKZSFWFELH-UHFFFAOYSA-N 2 1 314.252 3.148 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc(Br)cs1 ZINC000270814020 432292902 /nfs/dbraw/zinc/29/29/02/432292902.db2.gz ICBJJKZSFWFELH-UHFFFAOYSA-N 2 1 314.252 3.148 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccs1 ZINC000248461332 432294639 /nfs/dbraw/zinc/29/46/39/432294639.db2.gz XJFIALMYXACSDY-WMLDXEAASA-N 2 1 316.470 3.166 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000248024667 432261473 /nfs/dbraw/zinc/26/14/73/432261473.db2.gz ONKPKYWFWOKJIK-JSGCOSHPSA-N 2 1 316.367 3.405 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000248024667 432261475 /nfs/dbraw/zinc/26/14/75/432261475.db2.gz ONKPKYWFWOKJIK-JSGCOSHPSA-N 2 1 316.367 3.405 20 0 DGADMP COCCCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183129630 432261871 /nfs/dbraw/zinc/26/18/71/432261871.db2.gz YUYSEYXBLSPWLR-AABGKKOBSA-N 2 1 316.489 3.303 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000248053295 432262990 /nfs/dbraw/zinc/26/29/90/432262990.db2.gz WVAZNFJJWQEZRB-UXPWSPDFSA-N 2 1 316.489 3.401 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000248049288 432263406 /nfs/dbraw/zinc/26/34/06/432263406.db2.gz VXBQQJVQRCPGCM-DOTOQJQBSA-N 2 1 314.477 3.055 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000248053291 432264084 /nfs/dbraw/zinc/26/40/84/432264084.db2.gz WVAZNFJJWQEZRB-FFZOFVMBSA-N 2 1 316.489 3.401 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000191447361 432265194 /nfs/dbraw/zinc/26/51/94/432265194.db2.gz RXBIHKXWZWIEMS-ICSRJNTNSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000191447361 432265196 /nfs/dbraw/zinc/26/51/96/432265196.db2.gz RXBIHKXWZWIEMS-ICSRJNTNSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000191447361 432265201 /nfs/dbraw/zinc/26/52/01/432265201.db2.gz RXBIHKXWZWIEMS-ICSRJNTNSA-N 2 1 314.473 3.392 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC000248061119 432267159 /nfs/dbraw/zinc/26/71/59/432267159.db2.gz YKVNOXZFHMTTEG-ICSRJNTNSA-N 2 1 318.505 3.346 20 0 DGADMP CCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000271046580 432321350 /nfs/dbraw/zinc/32/13/50/432321350.db2.gz RNOWGVDCBSLUEL-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000271046580 432321352 /nfs/dbraw/zinc/32/13/52/432321352.db2.gz RNOWGVDCBSLUEL-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152364111 432327627 /nfs/dbraw/zinc/32/76/27/432327627.db2.gz RXDPIGKWOSJVOZ-LRDDRELGSA-N 2 1 306.450 3.437 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192043797 432327952 /nfs/dbraw/zinc/32/79/52/432327952.db2.gz RWLFVVFZGIDDDQ-DLBZAZTESA-N 2 1 310.869 3.492 20 0 DGADMP CN(Cc1ncc(-c2cccs2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152383265 432329588 /nfs/dbraw/zinc/32/95/88/432329588.db2.gz USYOTFMVXNCVAX-ZDUSSCGKSA-N 2 1 305.447 3.177 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152431152 432331598 /nfs/dbraw/zinc/33/15/98/432331598.db2.gz YNBISHBTBZQIJO-JSGCOSHPSA-N 2 1 305.491 3.157 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000249045651 432334183 /nfs/dbraw/zinc/33/41/83/432334183.db2.gz NOCLSYPEAAMXBM-CENDIDJXSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249093228 432337654 /nfs/dbraw/zinc/33/76/54/432337654.db2.gz LCFUYPYFRYUIPA-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000249284588 432342739 /nfs/dbraw/zinc/34/27/39/432342739.db2.gz LJXFVWWGMJOFHS-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000152617519 432344200 /nfs/dbraw/zinc/34/42/00/432344200.db2.gz HKJXYVHBMATCBE-GOEBONIOSA-N 2 1 310.869 3.347 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000249396063 432347133 /nfs/dbraw/zinc/34/71/33/432347133.db2.gz ZZEMGYROSQOFIV-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000249396063 432347139 /nfs/dbraw/zinc/34/71/39/432347139.db2.gz ZZEMGYROSQOFIV-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270937626 432304695 /nfs/dbraw/zinc/30/46/95/432304695.db2.gz XZMFLKOXHPAKSL-SJORKVTESA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270937626 432304701 /nfs/dbraw/zinc/30/47/01/432304701.db2.gz XZMFLKOXHPAKSL-SJORKVTESA-N 2 1 317.433 3.153 20 0 DGADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)O[C@H]1CCCCO1 ZINC000248608215 432304911 /nfs/dbraw/zinc/30/49/11/432304911.db2.gz WWEKUYNCJMPCGL-OALUTQOASA-N 2 1 324.509 3.118 20 0 DGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)O[C@H]1CCCCO1 ZINC000248608215 432304916 /nfs/dbraw/zinc/30/49/16/432304916.db2.gz WWEKUYNCJMPCGL-OALUTQOASA-N 2 1 324.509 3.118 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270937621 432305749 /nfs/dbraw/zinc/30/57/49/432305749.db2.gz XZMFLKOXHPAKSL-IAGOWNOFSA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270937621 432305751 /nfs/dbraw/zinc/30/57/51/432305751.db2.gz XZMFLKOXHPAKSL-IAGOWNOFSA-N 2 1 317.433 3.153 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)[C@H](C)C1 ZINC000248720510 432315211 /nfs/dbraw/zinc/31/52/11/432315211.db2.gz CHOVCVRUCZBRHO-OQIJWPOYSA-N 2 1 302.462 3.227 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000251781707 432372287 /nfs/dbraw/zinc/37/22/87/432372287.db2.gz SVHOJSBOZQFQRL-NEPJUHHUSA-N 2 1 302.340 3.188 20 0 DGADMP Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000174809881 432373718 /nfs/dbraw/zinc/37/37/18/432373718.db2.gz QRJUJQMWPHBJEQ-GOSISDBHSA-N 2 1 309.413 3.383 20 0 DGADMP CC(C)[C@@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000153406389 432407102 /nfs/dbraw/zinc/40/71/02/432407102.db2.gz OJNUAFKQJBBQLC-INDMIFKZSA-N 2 1 309.542 3.061 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccnn1C ZINC000192666862 432398631 /nfs/dbraw/zinc/39/86/31/432398631.db2.gz DABHEOHRVUKWKM-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)[NH+]1CCCCC1 ZINC000184510619 432399137 /nfs/dbraw/zinc/39/91/37/432399137.db2.gz OXLUMQXBMMPGEB-MCFFVMPBSA-N 2 1 322.518 3.339 20 0 DGADMP CC/C=C/CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000184541377 432403868 /nfs/dbraw/zinc/40/38/68/432403868.db2.gz CJRVJAUUVDSOPO-SNAWJCMRSA-N 2 1 315.505 3.092 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000250125781 432363211 /nfs/dbraw/zinc/36/32/11/432363211.db2.gz WEWBVODVEWGXES-UCLAIMLFSA-N 2 1 313.445 3.382 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000192925162 432428856 /nfs/dbraw/zinc/42/88/56/432428856.db2.gz ISSYSUFGYDJBKZ-HNNXBMFYSA-N 2 1 303.450 3.172 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000261548998 432429781 /nfs/dbraw/zinc/42/97/81/432429781.db2.gz OERVKJPPFFEQSP-LPHOPBHVSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000261548998 432429784 /nfs/dbraw/zinc/42/97/84/432429784.db2.gz OERVKJPPFFEQSP-LPHOPBHVSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261564705 432430078 /nfs/dbraw/zinc/43/00/78/432430078.db2.gz HKBQNYJRFUQZJW-DZGBDDFRSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261564705 432430079 /nfs/dbraw/zinc/43/00/79/432430079.db2.gz HKBQNYJRFUQZJW-DZGBDDFRSA-N 2 1 309.251 3.179 20 0 DGADMP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261554152 432430625 /nfs/dbraw/zinc/43/06/25/432430625.db2.gz TZTUKMSWYHUJPI-GOSISDBHSA-N 2 1 310.441 3.355 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261544568 432431177 /nfs/dbraw/zinc/43/11/77/432431177.db2.gz JAYZWSMSDJPSIL-APWZRJJASA-N 2 1 310.441 3.435 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261658793 432438830 /nfs/dbraw/zinc/43/88/30/432438830.db2.gz IBOBWCVKNBEVNK-HXUWFJFHSA-N 2 1 310.441 3.436 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(Cl)s1 ZINC000153788385 432443410 /nfs/dbraw/zinc/44/34/10/432443410.db2.gz OUONUOMFDYSXQD-GFCCVEGCSA-N 2 1 304.887 3.411 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)s1 ZINC000153788385 432443413 /nfs/dbraw/zinc/44/34/13/432443413.db2.gz OUONUOMFDYSXQD-GFCCVEGCSA-N 2 1 304.887 3.411 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Oc1cccnc1 ZINC000261809634 432452597 /nfs/dbraw/zinc/45/25/97/432452597.db2.gz ORRNVCJZMBBSST-IBGZPJMESA-N 2 1 311.429 3.353 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000261907811 432459804 /nfs/dbraw/zinc/45/98/04/432459804.db2.gz PUFGMWWRHITZLF-SZMVWBNQSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000261907811 432459809 /nfs/dbraw/zinc/45/98/09/432459809.db2.gz PUFGMWWRHITZLF-SZMVWBNQSA-N 2 1 311.429 3.209 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261889207 432457988 /nfs/dbraw/zinc/45/79/88/432457988.db2.gz ZMRKLNRGAWXCPO-LSTHTHJFSA-N 2 1 310.416 3.487 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cccc1OCC ZINC000261878355 432458045 /nfs/dbraw/zinc/45/80/45/432458045.db2.gz UHJNADRKJSPOJQ-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cccc1OCC ZINC000261878355 432458050 /nfs/dbraw/zinc/45/80/50/432458050.db2.gz UHJNADRKJSPOJQ-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@@H](C)C1 ZINC000271518962 432412902 /nfs/dbraw/zinc/41/29/02/432412902.db2.gz PHVRFXIYJWOXFQ-UHOSZYNNSA-N 2 1 318.505 3.109 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1(C)CC1 ZINC000153493803 432414251 /nfs/dbraw/zinc/41/42/51/432414251.db2.gz HHTOOZKWFRQFQH-CVEARBPZSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1(C)CC1 ZINC000153493803 432414254 /nfs/dbraw/zinc/41/42/54/432414254.db2.gz HHTOOZKWFRQFQH-CVEARBPZSA-N 2 1 302.462 3.186 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]21 ZINC000262333873 432483017 /nfs/dbraw/zinc/48/30/17/432483017.db2.gz SRZGLGONNSJRTB-ISTRZQFTSA-N 2 1 315.848 3.447 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]12 ZINC000262449770 432486286 /nfs/dbraw/zinc/48/62/86/432486286.db2.gz HPYFNFUDUWLECV-APHBMKBZSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]12 ZINC000262449770 432486291 /nfs/dbraw/zinc/48/62/91/432486291.db2.gz HPYFNFUDUWLECV-APHBMKBZSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]12 ZINC000262473191 432488197 /nfs/dbraw/zinc/48/81/97/432488197.db2.gz JKGHRVZVOGDOKD-VBNZEHGJSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]12 ZINC000262473191 432488200 /nfs/dbraw/zinc/48/82/00/432488200.db2.gz JKGHRVZVOGDOKD-VBNZEHGJSA-N 2 1 317.820 3.164 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272369548 432489852 /nfs/dbraw/zinc/48/98/52/432489852.db2.gz GIGVIVQZDQARHQ-LMMKCTJWSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272369548 432489857 /nfs/dbraw/zinc/48/98/57/432489857.db2.gz GIGVIVQZDQARHQ-LMMKCTJWSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H](CC[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387093 432492833 /nfs/dbraw/zinc/49/28/33/432492833.db2.gz GFZBFUDRNMXLLG-FFGOWVMKSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C(C)C ZINC000262585558 432493637 /nfs/dbraw/zinc/49/36/37/432493637.db2.gz ZRQMWBQRHGETEK-DLBZAZTESA-N 2 1 302.462 3.039 20 0 DGADMP C[C@H]([NH2+]CCCCCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272411279 432496684 /nfs/dbraw/zinc/49/66/84/432496684.db2.gz FQPCVOQEPIROED-HKUYNNGSSA-N 2 1 304.478 3.039 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000154516335 432504090 /nfs/dbraw/zinc/50/40/90/432504090.db2.gz DIMWVEQPDSKFFL-SFHVURJKSA-N 2 1 303.494 3.063 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)s1 ZINC000154542976 432506547 /nfs/dbraw/zinc/50/65/47/432506547.db2.gz HSMMVYGAPALMFL-MRXNPFEDSA-N 2 1 323.550 3.379 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCC(C)C ZINC000261913433 432460250 /nfs/dbraw/zinc/46/02/50/432460250.db2.gz XWPNFGPFRPMUCO-LJQANCHMSA-N 2 1 320.477 3.291 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCC(C)C ZINC000261913433 432460253 /nfs/dbraw/zinc/46/02/53/432460253.db2.gz XWPNFGPFRPMUCO-LJQANCHMSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000261950753 432463382 /nfs/dbraw/zinc/46/33/82/432463382.db2.gz NXABJSVNYRSXAP-CRAIPNDOSA-N 2 1 310.445 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000261950753 432463383 /nfs/dbraw/zinc/46/33/83/432463383.db2.gz NXABJSVNYRSXAP-CRAIPNDOSA-N 2 1 310.445 3.019 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261953466 432464349 /nfs/dbraw/zinc/46/43/49/432464349.db2.gz NOWBAGKQAIWMFY-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154017230 432464499 /nfs/dbraw/zinc/46/44/99/432464499.db2.gz JNDHDVNUXORIHP-CWLKWCNXSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154017230 432464503 /nfs/dbraw/zinc/46/45/03/432464503.db2.gz JNDHDVNUXORIHP-CWLKWCNXSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154017230 432464505 /nfs/dbraw/zinc/46/45/05/432464505.db2.gz JNDHDVNUXORIHP-CWLKWCNXSA-N 2 1 323.550 3.449 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1OC(F)F ZINC000261962824 432465805 /nfs/dbraw/zinc/46/58/05/432465805.db2.gz HNQNMQHIKPFYIT-KRWDZBQOSA-N 2 1 310.388 3.090 20 0 DGADMP c1csc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)co2)c1 ZINC000262035243 432469594 /nfs/dbraw/zinc/46/95/94/432469594.db2.gz ZMRSZOOZRONLPF-HNNXBMFYSA-N 2 1 317.458 3.367 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000263669547 432565076 /nfs/dbraw/zinc/56/50/76/432565076.db2.gz GYXGOXJGLUCBDC-UHFFFAOYSA-N 2 1 312.461 3.177 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273138599 432556283 /nfs/dbraw/zinc/55/62/83/432556283.db2.gz DIGDDISTQZVLBH-INIZCTEOSA-N 2 1 320.477 3.073 20 0 DGADMP COC1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000273161469 432557925 /nfs/dbraw/zinc/55/79/25/432557925.db2.gz KPPMVWNUXRXQEE-FVPXHTFXSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000193975853 432514149 /nfs/dbraw/zinc/51/41/49/432514149.db2.gz ISMOSTQXCAQXJT-WJFTUGDTSA-N 2 1 320.521 3.436 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)([NH+](C)C)C1 ZINC000193987686 432515450 /nfs/dbraw/zinc/51/54/50/432515450.db2.gz BGMVVQKCVUCEAP-ZKXLYKBJSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734327 432529043 /nfs/dbraw/zinc/52/90/43/432529043.db2.gz ZGUODPDRSMQCGO-SJORKVTESA-N 2 1 302.462 3.308 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739535 432529142 /nfs/dbraw/zinc/52/91/42/432529142.db2.gz GWMHCYQTXHDWSV-KGLIPLIRSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739535 432529145 /nfs/dbraw/zinc/52/91/45/432529145.db2.gz GWMHCYQTXHDWSV-KGLIPLIRSA-N 2 1 307.869 3.478 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000264074559 432612908 /nfs/dbraw/zinc/61/29/08/432612908.db2.gz MVJKPQAQTVBOTQ-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOc2cccc(Cl)c2)C1 ZINC000177035713 432577281 /nfs/dbraw/zinc/57/72/81/432577281.db2.gz AWEIHTYEEJYVRW-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000177035713 432577284 /nfs/dbraw/zinc/57/72/84/432577284.db2.gz AWEIHTYEEJYVRW-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000177035713 432577286 /nfs/dbraw/zinc/57/72/86/432577286.db2.gz AWEIHTYEEJYVRW-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000177035713 432577287 /nfs/dbraw/zinc/57/72/87/432577287.db2.gz AWEIHTYEEJYVRW-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000177035713 432577291 /nfs/dbraw/zinc/57/72/91/432577291.db2.gz AWEIHTYEEJYVRW-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155944905 432581613 /nfs/dbraw/zinc/58/16/13/432581613.db2.gz PPHAAHXFCBVLDA-MSOLQXFVSA-N 2 1 321.553 3.494 20 0 DGADMP CC1(C)OCc2cc(C[NH2+]CCC[NH+]3CCCCC3)ccc2O1 ZINC000186360323 432585717 /nfs/dbraw/zinc/58/57/17/432585717.db2.gz NREYTPPCNBOKLY-UHFFFAOYSA-N 2 1 318.461 3.297 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186369789 432587519 /nfs/dbraw/zinc/58/75/19/432587519.db2.gz CBOJIBPNPBVONU-INIZCTEOSA-N 2 1 318.461 3.153 20 0 DGADMP C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000156416903 432596039 /nfs/dbraw/zinc/59/60/39/432596039.db2.gz HPIWEYDRDLQRBJ-YJBOKZPZSA-N 2 1 317.408 3.374 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156520978 432599585 /nfs/dbraw/zinc/59/95/85/432599585.db2.gz SUWSZBOAVIVPFQ-ABAIWWIYSA-N 2 1 316.367 3.144 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000158186727 432640035 /nfs/dbraw/zinc/64/00/35/432640035.db2.gz YCAJEWQVPMUKRE-NHYWBVRUSA-N 2 1 301.261 3.466 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000158215512 432640705 /nfs/dbraw/zinc/64/07/05/432640705.db2.gz RTKWPEQOLVAQNE-KGLIPLIRSA-N 2 1 308.491 3.410 20 0 DGADMP Brc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000274334647 432652299 /nfs/dbraw/zinc/65/22/99/432652299.db2.gz GTMMWOCSRAGEDO-HOTGVXAUSA-N 2 1 323.278 3.208 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158770854 432656974 /nfs/dbraw/zinc/65/69/74/432656974.db2.gz GWLVUDMMQZSEOM-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+](CC2(C[N@@H+]3CCCC[C@H](C)C3)COC2)C1 ZINC000187972846 432697710 /nfs/dbraw/zinc/69/77/10/432697710.db2.gz RADFRNBHRCFDMV-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000274824921 432713858 /nfs/dbraw/zinc/71/38/58/432713858.db2.gz CCGNGWLCHHLGCS-YTQUADARSA-N 2 1 304.478 3.158 20 0 DGADMP CCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159240619 432675379 /nfs/dbraw/zinc/67/53/79/432675379.db2.gz HYSREAQTOQIQKK-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159240619 432675382 /nfs/dbraw/zinc/67/53/82/432675382.db2.gz HYSREAQTOQIQKK-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159240619 432675385 /nfs/dbraw/zinc/67/53/85/432675385.db2.gz HYSREAQTOQIQKK-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159240619 432675389 /nfs/dbraw/zinc/67/53/89/432675389.db2.gz HYSREAQTOQIQKK-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159280828 432679044 /nfs/dbraw/zinc/67/90/44/432679044.db2.gz UVARDIUDKZNXRS-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159280828 432679047 /nfs/dbraw/zinc/67/90/47/432679047.db2.gz UVARDIUDKZNXRS-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159280828 432679051 /nfs/dbraw/zinc/67/90/51/432679051.db2.gz UVARDIUDKZNXRS-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1nccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187779419 432685710 /nfs/dbraw/zinc/68/57/10/432685710.db2.gz SCTOOFLMTMORMX-OWCLPIDISA-N 2 1 304.482 3.194 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000275784962 432748457 /nfs/dbraw/zinc/74/84/57/432748457.db2.gz WKURUJFFHJQBLF-BHIYHBOVSA-N 2 1 300.446 3.179 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236606506 432751479 /nfs/dbraw/zinc/75/14/79/432751479.db2.gz UENDEPPHGQTFDB-IBGZPJMESA-N 2 1 306.494 3.141 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1OC(C)C ZINC000236673491 432755244 /nfs/dbraw/zinc/75/52/44/432755244.db2.gz BDSXJWPXSXAXKE-OAHLLOKOSA-N 2 1 301.434 3.405 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccoc1 ZINC000178617166 432758131 /nfs/dbraw/zinc/75/81/31/432758131.db2.gz FCUFBFNJTFXIIQ-CVEARBPZSA-N 2 1 314.429 3.351 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccoc1 ZINC000178617166 432758135 /nfs/dbraw/zinc/75/81/35/432758135.db2.gz FCUFBFNJTFXIIQ-CVEARBPZSA-N 2 1 314.429 3.351 20 0 DGADMP c1sc(CNC[C@H]2CC[N@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000236728233 432760539 /nfs/dbraw/zinc/76/05/39/432760539.db2.gz LYBFMYKNBNCPHR-CQSZACIVSA-N 2 1 313.470 3.384 20 0 DGADMP CSCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000178662148 432763307 /nfs/dbraw/zinc/76/33/07/432763307.db2.gz MHZNRXHJZPFGAK-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178662148 432763309 /nfs/dbraw/zinc/76/33/09/432763309.db2.gz MHZNRXHJZPFGAK-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178662148 432763313 /nfs/dbraw/zinc/76/33/13/432763313.db2.gz MHZNRXHJZPFGAK-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C([NH2+][C@H]1CCC12CCCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000189163626 432767724 /nfs/dbraw/zinc/76/77/24/432767724.db2.gz GFXNEJGBTUQNRT-KRWDZBQOSA-N 2 1 306.494 3.334 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC000236937667 432771591 /nfs/dbraw/zinc/77/15/91/432771591.db2.gz JEVUTMRPAIKBHU-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000275626676 432735910 /nfs/dbraw/zinc/73/59/10/432735910.db2.gz IPYUQOUTOOLCNS-FQEVSTJZSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2Br)CC[NH2+]1 ZINC000235697852 432745090 /nfs/dbraw/zinc/74/50/90/432745090.db2.gz GKEDHSOVJHUUHC-STQMWFEESA-N 2 1 311.267 3.269 20 0 DGADMP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000162196119 432816314 /nfs/dbraw/zinc/81/63/14/432816314.db2.gz JERCIELCDGMSML-FQEVSTJZSA-N 2 1 318.505 3.080 20 0 DGADMP CC[C@@](C)(O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000189739139 432816645 /nfs/dbraw/zinc/81/66/45/432816645.db2.gz VLUDVFKHHWIYLZ-RBUKOAKNSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@](C)(O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000189739139 432816646 /nfs/dbraw/zinc/81/66/46/432816646.db2.gz VLUDVFKHHWIYLZ-RBUKOAKNSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@](C)(O)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000189739139 432816648 /nfs/dbraw/zinc/81/66/48/432816648.db2.gz VLUDVFKHHWIYLZ-RBUKOAKNSA-N 2 1 304.478 3.134 20 0 DGADMP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000267151889 432817975 /nfs/dbraw/zinc/81/79/75/432817975.db2.gz CLQDMZGPAPWEIS-UHFFFAOYSA-N 2 1 319.474 3.233 20 0 DGADMP COc1ccc2oc([C@H](C)[NH2+]CCc3c[nH+]cn3C)c(C)c2c1 ZINC000276592099 432820952 /nfs/dbraw/zinc/82/09/52/432820952.db2.gz DFSSRMLXLHCQIF-ZDUSSCGKSA-N 2 1 313.401 3.377 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162560892 432827348 /nfs/dbraw/zinc/82/73/48/432827348.db2.gz HXRAVDFOQMLLTP-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162560892 432827350 /nfs/dbraw/zinc/82/73/50/432827350.db2.gz HXRAVDFOQMLLTP-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccco3)CC2)oc1C ZINC000162764156 432833786 /nfs/dbraw/zinc/83/37/86/432833786.db2.gz YCZXVTHLUUQWKS-AWEZNQCLSA-N 2 1 317.433 3.447 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000178955297 432790377 /nfs/dbraw/zinc/79/03/77/432790377.db2.gz VLRNZUHLVSFXDO-WOJBJXKFSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178955297 432790379 /nfs/dbraw/zinc/79/03/79/432790379.db2.gz VLRNZUHLVSFXDO-WOJBJXKFSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178955297 432790383 /nfs/dbraw/zinc/79/03/83/432790383.db2.gz VLRNZUHLVSFXDO-WOJBJXKFSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000178955297 432790385 /nfs/dbraw/zinc/79/03/85/432790385.db2.gz VLRNZUHLVSFXDO-WOJBJXKFSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000178955297 432790389 /nfs/dbraw/zinc/79/03/89/432790389.db2.gz VLRNZUHLVSFXDO-WOJBJXKFSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178955297 432790390 /nfs/dbraw/zinc/79/03/90/432790390.db2.gz VLRNZUHLVSFXDO-WOJBJXKFSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178955297 432790393 /nfs/dbraw/zinc/79/03/93/432790393.db2.gz VLRNZUHLVSFXDO-WOJBJXKFSA-N 2 1 315.505 3.243 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC1CC[NH2+]CC1 ZINC000178968595 432792134 /nfs/dbraw/zinc/79/21/34/432792134.db2.gz VECBULCAWHUZTQ-UHFFFAOYSA-N 2 1 313.445 3.206 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000266879620 432793267 /nfs/dbraw/zinc/79/32/67/432793267.db2.gz PDAMYDDWCKDGCP-AWEZNQCLSA-N 2 1 318.461 3.371 20 0 DGADMP c1ccc(N[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161936621 432804873 /nfs/dbraw/zinc/80/48/73/432804873.db2.gz STIOTXMIFDMRKY-IBGZPJMESA-N 2 1 301.478 3.439 20 0 DGADMP c1ccc(N[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161936621 432804876 /nfs/dbraw/zinc/80/48/76/432804876.db2.gz STIOTXMIFDMRKY-IBGZPJMESA-N 2 1 301.478 3.439 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)onc1CC ZINC000277323796 432838842 /nfs/dbraw/zinc/83/88/42/432838842.db2.gz VFZQBNAPWHPWDY-UHFFFAOYSA-N 2 1 304.438 3.217 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)onc1CC ZINC000277323796 432838845 /nfs/dbraw/zinc/83/88/45/432838845.db2.gz VFZQBNAPWHPWDY-UHFFFAOYSA-N 2 1 304.438 3.217 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2csc3ccccc23)CCCO1 ZINC000277623407 432864768 /nfs/dbraw/zinc/86/47/68/432864768.db2.gz BRUJSMKJQUOHJF-HNNXBMFYSA-N 2 1 318.486 3.492 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245904022 432869272 /nfs/dbraw/zinc/86/92/72/432869272.db2.gz FAROYQOWFGXCTA-FGTMMUONSA-N 2 1 306.498 3.009 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3s2)CCCO1 ZINC000277708748 432871607 /nfs/dbraw/zinc/87/16/07/432871607.db2.gz IMFWRELSMYNMTF-HNNXBMFYSA-N 2 1 318.486 3.492 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3s2)CCCO1 ZINC000277708748 432871608 /nfs/dbraw/zinc/87/16/08/432871608.db2.gz IMFWRELSMYNMTF-HNNXBMFYSA-N 2 1 318.486 3.492 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C12CCCC2 ZINC000245937917 432871933 /nfs/dbraw/zinc/87/19/33/432871933.db2.gz UIRVVRUYKBOOMM-USXIJHARSA-N 2 1 305.466 3.155 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000245943822 432872814 /nfs/dbraw/zinc/87/28/14/432872814.db2.gz BFAIGFNAABGNAR-LRDDRELGSA-N 2 1 323.278 3.368 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000296200127 432882640 /nfs/dbraw/zinc/88/26/40/432882640.db2.gz YYBAXIKBNLKZSP-IMJJTQAJSA-N 2 1 305.853 3.329 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000296200127 432882643 /nfs/dbraw/zinc/88/26/43/432882643.db2.gz YYBAXIKBNLKZSP-IMJJTQAJSA-N 2 1 305.853 3.329 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCS2 ZINC000296297871 432893886 /nfs/dbraw/zinc/89/38/86/432893886.db2.gz FUHMVCGFORTYSW-PLTIAYLTSA-N 2 1 318.486 3.447 20 0 DGADMP CC[N@@H+](C[C@H]1CCSC1)CC1CCN(c2ccccn2)CC1 ZINC000278409445 432894888 /nfs/dbraw/zinc/89/48/88/432894888.db2.gz GXOOQXCNUJGJOH-QGZVFWFLSA-N 2 1 319.518 3.373 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000163272224 432847675 /nfs/dbraw/zinc/84/76/75/432847675.db2.gz QWBOYIAPRNIHGS-FUHIMQAGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000163272224 432847679 /nfs/dbraw/zinc/84/76/79/432847679.db2.gz QWBOYIAPRNIHGS-FUHIMQAGSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245717391 432857544 /nfs/dbraw/zinc/85/75/44/432857544.db2.gz OFVMUBGBJYUTJY-LWYYNNOASA-N 2 1 316.489 3.179 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000289102740 432922369 /nfs/dbraw/zinc/92/23/69/432922369.db2.gz CHQNAAKRGBQFFQ-QGZVFWFLSA-N 2 1 318.436 3.428 20 0 DGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000279007738 432925949 /nfs/dbraw/zinc/92/59/49/432925949.db2.gz SNBJPKOWPUKGAD-TYILLQQXSA-N 2 1 313.420 3.498 20 0 DGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000279007733 432926066 /nfs/dbraw/zinc/92/60/66/432926066.db2.gz SNBJPKOWPUKGAD-LPMFXHHGSA-N 2 1 313.420 3.498 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nc2c(s1)CCCC2 ZINC000279030781 432928141 /nfs/dbraw/zinc/92/81/41/432928141.db2.gz WENVIWBHDNNKGG-STQMWFEESA-N 2 1 316.474 3.132 20 0 DGADMP Oc1ccc(C[N@H+](Cc2cccc3nccn32)CC2CC2)cc1 ZINC000289180000 432930306 /nfs/dbraw/zinc/93/03/06/432930306.db2.gz AKUOIXJZXYEJTI-UHFFFAOYSA-N 2 1 307.397 3.452 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205292 432933634 /nfs/dbraw/zinc/93/36/34/432933634.db2.gz IBADXPFIHHUWKA-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205292 432933637 /nfs/dbraw/zinc/93/36/37/432933637.db2.gz IBADXPFIHHUWKA-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205292 432933639 /nfs/dbraw/zinc/93/36/39/432933639.db2.gz IBADXPFIHHUWKA-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205292 432933641 /nfs/dbraw/zinc/93/36/41/432933641.db2.gz IBADXPFIHHUWKA-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP Cc1ccncc1CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000289259114 432938856 /nfs/dbraw/zinc/93/88/56/432938856.db2.gz MKZLIKGGSGNEOV-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000289259114 432938858 /nfs/dbraw/zinc/93/88/58/432938858.db2.gz MKZLIKGGSGNEOV-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289259114 432938860 /nfs/dbraw/zinc/93/88/60/432938860.db2.gz MKZLIKGGSGNEOV-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289259114 432938863 /nfs/dbraw/zinc/93/88/63/432938863.db2.gz MKZLIKGGSGNEOV-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289262675 432939097 /nfs/dbraw/zinc/93/90/97/432939097.db2.gz OKTFFBHLGZGNFD-OXJNMPFZSA-N 2 1 315.505 3.098 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1ccncc1 ZINC000289314198 432943809 /nfs/dbraw/zinc/94/38/09/432943809.db2.gz CZNXAJULGDGSGK-WGMWDUQUSA-N 2 1 323.484 3.370 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCNc3ccccc32)CCCO1 ZINC000278866818 432910886 /nfs/dbraw/zinc/91/08/86/432910886.db2.gz WQIWCXWVCJJTDL-LPHOPBHVSA-N 2 1 317.477 3.024 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000278882800 432913213 /nfs/dbraw/zinc/91/32/13/432913213.db2.gz CSQHYBZUUWWMRG-KBPBESRZSA-N 2 1 316.424 3.001 20 0 DGADMP Cc1ccncc1CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000289019204 432913496 /nfs/dbraw/zinc/91/34/96/432913496.db2.gz ANXDAACZNVYJJT-IBGZPJMESA-N 3 1 301.478 3.273 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289085575 432920294 /nfs/dbraw/zinc/92/02/94/432920294.db2.gz BEJQTVFNQPFLPQ-PXNSSMCTSA-N 2 1 315.505 3.242 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000289095957 432921889 /nfs/dbraw/zinc/92/18/89/432921889.db2.gz BTUOSISVAFZRQI-GPMSIDNRSA-N 2 1 302.462 3.061 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297587940 432998816 /nfs/dbraw/zinc/99/88/16/432998816.db2.gz IYCQYTLSBHFVFW-MSOLQXFVSA-N 2 1 320.864 3.386 20 0 DGADMP Cc1ccc([C@@H](NCCC[NH+]2CCC(O)CC2)C2CCCC2)o1 ZINC000349452062 432963991 /nfs/dbraw/zinc/96/39/91/432963991.db2.gz NJLYJSTVMMAGGF-IBGZPJMESA-N 2 1 320.477 3.256 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000297688716 433007267 /nfs/dbraw/zinc/00/72/67/433007267.db2.gz PRAGOHVBUWUAJG-QGZVFWFLSA-N 2 1 308.853 3.244 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000341307361 433023359 /nfs/dbraw/zinc/02/33/59/433023359.db2.gz SBGVBEABALIBDW-CZKCSJLSSA-N 2 1 316.489 3.036 20 0 DGADMP COc1ccc(C[N@@H+](CCc2cncn2C)[C@H](C)C2CC2)cc1 ZINC000297880196 433027650 /nfs/dbraw/zinc/02/76/50/433027650.db2.gz QHTAOJYNLKQMTN-OAHLLOKOSA-N 2 1 313.445 3.272 20 0 DGADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@H]2CCSC2)CC1 ZINC000290311954 433030448 /nfs/dbraw/zinc/03/04/48/433030448.db2.gz CEXNDRZWDCYVKL-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@H]2CCSC2)CC1 ZINC000290311954 433030450 /nfs/dbraw/zinc/03/04/50/433030450.db2.gz CEXNDRZWDCYVKL-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290342380 433035090 /nfs/dbraw/zinc/03/50/90/433035090.db2.gz FNJBZPUIMCJDBU-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290342380 433035094 /nfs/dbraw/zinc/03/50/94/433035094.db2.gz FNJBZPUIMCJDBU-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000290342380 433035097 /nfs/dbraw/zinc/03/50/97/433035097.db2.gz FNJBZPUIMCJDBU-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000290342380 433035099 /nfs/dbraw/zinc/03/50/99/433035099.db2.gz FNJBZPUIMCJDBU-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000349937368 433037273 /nfs/dbraw/zinc/03/72/73/433037273.db2.gz SKZSVPHREHFGKF-DHCBQETCSA-N 2 1 305.372 3.409 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000349937369 433037510 /nfs/dbraw/zinc/03/75/10/433037510.db2.gz SKZSVPHREHFGKF-ITDFMYJTSA-N 2 1 305.372 3.409 20 0 DGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298299559 433085069 /nfs/dbraw/zinc/08/50/69/433085069.db2.gz HMYRDSNJTIYVSX-INIZCTEOSA-N 2 1 302.462 3.287 20 0 DGADMP Cc1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C2CC2)n1 ZINC000341491106 433090486 /nfs/dbraw/zinc/09/04/86/433090486.db2.gz CWXYMMDBWMNWDT-QAPCUYQASA-N 2 1 322.456 3.910 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1O ZINC000290558532 433096644 /nfs/dbraw/zinc/09/66/44/433096644.db2.gz DLQMXXPGFWRZTP-HUUCEWRRSA-N 2 1 306.450 3.316 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000361346731 433122110 /nfs/dbraw/zinc/12/21/10/433122110.db2.gz QEQDWYBXHORPRM-QKLQHJQFSA-N 2 1 316.489 3.307 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000290634651 433123916 /nfs/dbraw/zinc/12/39/16/433123916.db2.gz YEDOIIJJFMHLIW-DAYGRLMNSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000290634651 433123920 /nfs/dbraw/zinc/12/39/20/433123920.db2.gz YEDOIIJJFMHLIW-DAYGRLMNSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000290634651 433123927 /nfs/dbraw/zinc/12/39/27/433123927.db2.gz YEDOIIJJFMHLIW-DAYGRLMNSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000290634651 433123931 /nfs/dbraw/zinc/12/39/31/433123931.db2.gz YEDOIIJJFMHLIW-DAYGRLMNSA-N 2 1 322.468 3.285 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000290632505 433126669 /nfs/dbraw/zinc/12/66/69/433126669.db2.gz YAZZALBEHOXMBN-CQSZACIVSA-N 2 1 312.379 3.268 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000290655724 433128689 /nfs/dbraw/zinc/12/86/89/433128689.db2.gz KJSCEGDYVLHNHR-DFQSSKMNSA-N 2 1 324.472 3.108 20 0 DGADMP Fc1cccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000298431594 433135363 /nfs/dbraw/zinc/13/53/63/433135363.db2.gz NBOVJFUBSVKFNC-QGZVFWFLSA-N 2 1 317.452 3.011 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000298434464 433136916 /nfs/dbraw/zinc/13/69/16/433136916.db2.gz NCYPZZZNGFCZBS-FQEVSTJZSA-N 2 1 310.441 3.090 20 0 DGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420297801 433148379 /nfs/dbraw/zinc/14/83/79/433148379.db2.gz GGGDHHNYSBENMT-DLBZAZTESA-N 2 1 317.477 3.115 20 0 DGADMP C[N@H+](Cc1cncc(OCc2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000420289239 433149063 /nfs/dbraw/zinc/14/90/63/433149063.db2.gz JXRQGYWWKIYZQD-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000420289239 433149073 /nfs/dbraw/zinc/14/90/73/433149073.db2.gz JXRQGYWWKIYZQD-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCO[C@H](Cc3ccccc3)C2)cn1 ZINC000354565743 433149439 /nfs/dbraw/zinc/14/94/39/433149439.db2.gz HUXRJAKRHHGJQT-HXUWFJFHSA-N 2 1 310.441 3.266 20 0 DGADMP Cc1ccc(CCCN2CCO[C@H](Cc3ccccc3)C2)cn1 ZINC000354565743 433149449 /nfs/dbraw/zinc/14/94/49/433149449.db2.gz HUXRJAKRHHGJQT-HXUWFJFHSA-N 2 1 310.441 3.266 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000420305637 433153592 /nfs/dbraw/zinc/15/35/92/433153592.db2.gz PRQDGEWQRUDMQT-LMMKCTJWSA-N 2 1 302.462 3.147 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1O ZINC000290585241 433107216 /nfs/dbraw/zinc/10/72/16/433107216.db2.gz GFNZOTBGZPGMDO-AWEZNQCLSA-N 2 1 318.461 3.458 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(Cl)c1O ZINC000298395052 433120584 /nfs/dbraw/zinc/12/05/84/433120584.db2.gz IDJRPBAPSPJFMR-GFCCVEGCSA-N 2 1 324.852 3.018 20 0 DGADMP CCCO[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420309942 433156144 /nfs/dbraw/zinc/15/61/44/433156144.db2.gz UKFNZFOVCGLXNK-PKOBYXMFSA-N 2 1 320.477 3.019 20 0 DGADMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000453405387 433156539 /nfs/dbraw/zinc/15/65/39/433156539.db2.gz BSHPFDZDJMPHMP-UHFFFAOYSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+](CCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000453405387 433156546 /nfs/dbraw/zinc/15/65/46/433156546.db2.gz BSHPFDZDJMPHMP-UHFFFAOYSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@@H+](CCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000453405387 433156561 /nfs/dbraw/zinc/15/65/61/433156561.db2.gz BSHPFDZDJMPHMP-UHFFFAOYSA-N 3 1 315.505 3.115 20 0 DGADMP CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000420318008 433158227 /nfs/dbraw/zinc/15/82/27/433158227.db2.gz VITYTCZUHNFAST-INIZCTEOSA-N 2 1 323.868 3.133 20 0 DGADMP CCSCC[C@@H](C)[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420312423 433159682 /nfs/dbraw/zinc/15/96/82/433159682.db2.gz WYFDJCZNEWOVTL-ZBFHGGJFSA-N 2 1 310.507 3.201 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000420316721 433160419 /nfs/dbraw/zinc/16/04/19/433160419.db2.gz MFUADCVLGYIHHJ-KBPBESRZSA-N 2 1 311.495 3.062 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000420316721 433160430 /nfs/dbraw/zinc/16/04/30/433160430.db2.gz MFUADCVLGYIHHJ-KBPBESRZSA-N 2 1 311.495 3.062 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410080 433163213 /nfs/dbraw/zinc/16/32/13/433163213.db2.gz UWCQUFOSARHNRT-INIZCTEOSA-N 2 1 317.477 3.176 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420324699 433165158 /nfs/dbraw/zinc/16/51/58/433165158.db2.gz HNHSWBKYISCHPE-HXUWFJFHSA-N 2 1 324.468 3.070 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324236 433165432 /nfs/dbraw/zinc/16/54/32/433165432.db2.gz HECGYOXOOHDXRG-QZTJIDSGSA-N 2 1 302.462 3.004 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325856 433167681 /nfs/dbraw/zinc/16/76/81/433167681.db2.gz BWRSMOGMYCSSEX-OKILXGFUSA-N 2 1 317.458 3.143 20 0 DGADMP Clc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332226 433170977 /nfs/dbraw/zinc/17/09/77/433170977.db2.gz CVXOTXDRQLNOQJ-LSDHHAIUSA-N 2 1 308.853 3.040 20 0 DGADMP c1sc(C2CCCC2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420331800 433171080 /nfs/dbraw/zinc/17/10/80/433171080.db2.gz JCGDZBHZZYMLTD-GASCZTMLSA-N 2 1 305.491 3.232 20 0 DGADMP Clc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332216 433171732 /nfs/dbraw/zinc/17/17/32/433171732.db2.gz CVXOTXDRQLNOQJ-CABCVRRESA-N 2 1 308.853 3.040 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344740 433172906 /nfs/dbraw/zinc/17/29/06/433172906.db2.gz UOOBFYJKRKYBOW-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420357925 433174862 /nfs/dbraw/zinc/17/48/62/433174862.db2.gz IDGQFOFHNMBDLY-ZDUSSCGKSA-N 2 1 315.230 3.066 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420365047 433181245 /nfs/dbraw/zinc/18/12/45/433181245.db2.gz PUBKOQWLSBXBGN-SFHVURJKSA-N 2 1 311.429 3.352 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361458921 433183117 /nfs/dbraw/zinc/18/31/17/433183117.db2.gz JFRHVTPVOBBTBR-HIFRSBDPSA-N 2 1 316.367 3.166 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361458921 433183124 /nfs/dbraw/zinc/18/31/24/433183124.db2.gz JFRHVTPVOBBTBR-HIFRSBDPSA-N 2 1 316.367 3.166 20 0 DGADMP FC(F)(F)[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC12CCC2 ZINC000420373580 433189050 /nfs/dbraw/zinc/18/90/50/433189050.db2.gz MNXFECBFDYRVBV-CQSZACIVSA-N 2 1 304.400 3.431 20 0 DGADMP C[C@@H]([NH3+])C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000420381501 433191593 /nfs/dbraw/zinc/19/15/93/433191593.db2.gz XKXFJHIUOXLZRH-GFCCVEGCSA-N 2 1 316.367 3.143 20 0 DGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420381564 433193580 /nfs/dbraw/zinc/19/35/80/433193580.db2.gz XZKYIAJFGJVEJE-DLBZAZTESA-N 2 1 317.477 3.115 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420381556 433194160 /nfs/dbraw/zinc/19/41/60/433194160.db2.gz XVDUKRPBVBQCOZ-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420381556 433194166 /nfs/dbraw/zinc/19/41/66/433194166.db2.gz XVDUKRPBVBQCOZ-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H](CCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280895652 433215404 /nfs/dbraw/zinc/21/54/04/433215404.db2.gz DKDDQQMDAUVPTA-IVMQYODDSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2c1OC(C)(C)C2)C1CC1 ZINC000453595706 433223178 /nfs/dbraw/zinc/22/31/78/433223178.db2.gz KNNJFIVAGTXPBT-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925837 433224324 /nfs/dbraw/zinc/22/43/24/433224324.db2.gz RJZDQLIWJLSPRT-QFBILLFUSA-N 2 1 317.477 3.013 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925837 433224332 /nfs/dbraw/zinc/22/43/32/433224332.db2.gz RJZDQLIWJLSPRT-QFBILLFUSA-N 2 1 317.477 3.013 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453594332 433224815 /nfs/dbraw/zinc/22/48/15/433224815.db2.gz IATVCHACPAANMT-UHFFFAOYSA-N 2 1 306.498 3.219 20 0 DGADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374604922 433232592 /nfs/dbraw/zinc/23/25/92/433232592.db2.gz OGHCHLMAQSZVPF-XUVXKRRUSA-N 2 1 309.457 3.405 20 0 DGADMP CN1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000280951355 433236927 /nfs/dbraw/zinc/23/69/27/433236927.db2.gz ISOJCBFPMCLPGS-UHFFFAOYSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000280951355 433236940 /nfs/dbraw/zinc/23/69/40/433236940.db2.gz ISOJCBFPMCLPGS-UHFFFAOYSA-N 3 1 315.505 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000280951355 433236954 /nfs/dbraw/zinc/23/69/54/433236954.db2.gz ISOJCBFPMCLPGS-UHFFFAOYSA-N 3 1 315.505 3.113 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1C ZINC000447723184 433264386 /nfs/dbraw/zinc/26/43/86/433264386.db2.gz NOVFOPNJDXBINO-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1C ZINC000447723184 433264398 /nfs/dbraw/zinc/26/43/98/433264398.db2.gz NOVFOPNJDXBINO-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1C ZINC000447723184 433264407 /nfs/dbraw/zinc/26/44/07/433264407.db2.gz NOVFOPNJDXBINO-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1C ZINC000447723184 433264415 /nfs/dbraw/zinc/26/44/15/433264415.db2.gz NOVFOPNJDXBINO-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915335 433313888 /nfs/dbraw/zinc/31/38/88/433313888.db2.gz DQDLXYRQGRKWTL-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915335 433313899 /nfs/dbraw/zinc/31/38/99/433313899.db2.gz DQDLXYRQGRKWTL-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921759 433319153 /nfs/dbraw/zinc/31/91/53/433319153.db2.gz MKTRVGBECRIANM-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921759 433319161 /nfs/dbraw/zinc/31/91/61/433319161.db2.gz MKTRVGBECRIANM-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000354823934 433295693 /nfs/dbraw/zinc/29/56/93/433295693.db2.gz YUBHOKYDQLRYQV-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+](CCc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907364 433309217 /nfs/dbraw/zinc/30/92/17/433309217.db2.gz VMSJLIICLSSULO-UHFFFAOYSA-N 2 1 324.468 3.193 20 0 DGADMP C[N@@H+](CCc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907364 433309229 /nfs/dbraw/zinc/30/92/29/433309229.db2.gz VMSJLIICLSSULO-UHFFFAOYSA-N 2 1 324.468 3.193 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)C[NH+](C)C ZINC000425930531 433377680 /nfs/dbraw/zinc/37/76/80/433377680.db2.gz IMPBUXSKMMEFLQ-RYUDHWBXSA-N 2 1 304.356 3.434 20 0 DGADMP Cc1cnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000354863654 433326819 /nfs/dbraw/zinc/32/68/19/433326819.db2.gz SXOYLILPDJUKMZ-UHFFFAOYSA-N 2 1 316.474 3.195 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000341866667 433327568 /nfs/dbraw/zinc/32/75/68/433327568.db2.gz VFCBNQKAISLMGG-WMZOPIPTSA-N 2 1 312.461 3.397 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339190213 433430362 /nfs/dbraw/zinc/43/03/62/433430362.db2.gz NEFLRSJKJQINPK-WNRNVDISSA-N 2 1 322.493 3.105 20 0 DGADMP C[N@H+](CC1CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425937138 433379158 /nfs/dbraw/zinc/37/91/58/433379158.db2.gz LEKILONJZCNSFB-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+](CC1CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425937138 433379173 /nfs/dbraw/zinc/37/91/73/433379173.db2.gz LEKILONJZCNSFB-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CC1CCCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425937138 433379179 /nfs/dbraw/zinc/37/91/79/433379179.db2.gz LEKILONJZCNSFB-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CC1CCCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425937138 433379190 /nfs/dbraw/zinc/37/91/90/433379190.db2.gz LEKILONJZCNSFB-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@@H]1C ZINC000414077009 433379505 /nfs/dbraw/zinc/37/95/05/433379505.db2.gz YQIQJQDUUBKLCA-SNRMKQJTSA-N 2 1 302.462 3.043 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000354963943 433380695 /nfs/dbraw/zinc/38/06/95/433380695.db2.gz XHPMSQAGOSXUBS-CXAGYDPISA-N 2 1 310.869 3.490 20 0 DGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000425938610 433380972 /nfs/dbraw/zinc/38/09/72/433380972.db2.gz QQJKZGLMQZVZQI-STQMWFEESA-N 2 1 300.393 3.445 20 0 DGADMP COC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000425947665 433381949 /nfs/dbraw/zinc/38/19/49/433381949.db2.gz VYZMJKKTEATOMX-WFASDCNBSA-N 2 1 318.383 3.180 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cnn(C(C)C)c32)[C@@H](C)C1 ZINC000375182473 433384790 /nfs/dbraw/zinc/38/47/90/433384790.db2.gz KJNLAVIMUUEJMG-XIRDDKMYSA-N 2 1 304.482 3.161 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cnn(C(C)C)c32)[C@@H](C)C1 ZINC000375182473 433384792 /nfs/dbraw/zinc/38/47/92/433384792.db2.gz KJNLAVIMUUEJMG-XIRDDKMYSA-N 2 1 304.482 3.161 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cn1 ZINC000361800869 433397118 /nfs/dbraw/zinc/39/71/18/433397118.db2.gz UTNHXWZOOKMRGV-SFHVURJKSA-N 2 1 312.461 3.011 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361876220 433433489 /nfs/dbraw/zinc/43/34/89/433433489.db2.gz DEKSILTUAFVBLG-RXVVDRJESA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876220 433433498 /nfs/dbraw/zinc/43/34/98/433433498.db2.gz DEKSILTUAFVBLG-RXVVDRJESA-N 2 1 324.468 3.283 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375282552 433407274 /nfs/dbraw/zinc/40/72/74/433407274.db2.gz RXHAZLHSHVXYGN-UHFFFAOYSA-N 2 1 316.424 3.328 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174025 433434047 /nfs/dbraw/zinc/43/40/47/433434047.db2.gz XYJWLNLXRRLHSO-HUUCEWRRSA-N 2 1 308.466 3.042 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174025 433434054 /nfs/dbraw/zinc/43/40/54/433434054.db2.gz XYJWLNLXRRLHSO-HUUCEWRRSA-N 2 1 308.466 3.042 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414184870 433444951 /nfs/dbraw/zinc/44/49/51/433444951.db2.gz OPTIQQKQVQKVPD-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414186178 433451554 /nfs/dbraw/zinc/45/15/54/433451554.db2.gz PDFCWPIPFUSFTJ-CVEARBPZSA-N 2 1 320.477 3.395 20 0 DGADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414193921 433454034 /nfs/dbraw/zinc/45/40/34/433454034.db2.gz UAKBMXOYQYZRTH-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP CC(C)c1ccc(CN(C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000351292907 433457227 /nfs/dbraw/zinc/45/72/27/433457227.db2.gz VTVKJWUZFAQHFW-FQEVSTJZSA-N 2 1 316.489 3.230 20 0 DGADMP CC(C)c1ccc(C[N@H+](C[C@@H](O)CN(C)C2CC2)C2CC2)cc1 ZINC000351292907 433457238 /nfs/dbraw/zinc/45/72/38/433457238.db2.gz VTVKJWUZFAQHFW-FQEVSTJZSA-N 2 1 316.489 3.230 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C[C@@H](O)CN(C)C2CC2)C2CC2)cc1 ZINC000351292907 433457245 /nfs/dbraw/zinc/45/72/45/433457245.db2.gz VTVKJWUZFAQHFW-FQEVSTJZSA-N 2 1 316.489 3.230 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000342081516 433458846 /nfs/dbraw/zinc/45/88/46/433458846.db2.gz HAPQUEWFVFFCJD-SXLOBPIMSA-N 2 1 324.472 3.048 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414210630 433461180 /nfs/dbraw/zinc/46/11/80/433461180.db2.gz NOMNAWVCCQECTI-OBKDMQGPSA-N 2 1 314.473 3.339 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000339249643 433467950 /nfs/dbraw/zinc/46/79/50/433467950.db2.gz XAXYXWCICOMQID-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000426341921 433469312 /nfs/dbraw/zinc/46/93/12/433469312.db2.gz GXMZGXFUELJLTN-GUDVDZBRSA-N 2 1 316.489 3.159 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340138 433478343 /nfs/dbraw/zinc/47/83/43/433478343.db2.gz NWNXRELEWFDAIZ-RBUKOAKNSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340138 433478352 /nfs/dbraw/zinc/47/83/52/433478352.db2.gz NWNXRELEWFDAIZ-RBUKOAKNSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340138 433478360 /nfs/dbraw/zinc/47/83/60/433478360.db2.gz NWNXRELEWFDAIZ-RBUKOAKNSA-N 2 1 302.462 3.059 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292131858 433474510 /nfs/dbraw/zinc/47/45/10/433474510.db2.gz LIQGGXGPLFZGDH-OALUTQOASA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292131858 433474518 /nfs/dbraw/zinc/47/45/18/433474518.db2.gz LIQGGXGPLFZGDH-OALUTQOASA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292131858 433474524 /nfs/dbraw/zinc/47/45/24/433474524.db2.gz LIQGGXGPLFZGDH-OALUTQOASA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000342111849 433475683 /nfs/dbraw/zinc/47/56/83/433475683.db2.gz URQVSHTXJKAWKW-ULQDDVLXSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000342111849 433475690 /nfs/dbraw/zinc/47/56/90/433475690.db2.gz URQVSHTXJKAWKW-ULQDDVLXSA-N 2 1 311.429 3.209 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351340138 433478338 /nfs/dbraw/zinc/47/83/38/433478338.db2.gz NWNXRELEWFDAIZ-RBUKOAKNSA-N 2 1 302.462 3.059 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000426365965 433478326 /nfs/dbraw/zinc/47/83/26/433478326.db2.gz NZMNHDSIAPAJDI-RDJZCZTQSA-N 2 1 320.477 3.043 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421334839 433481057 /nfs/dbraw/zinc/48/10/57/433481057.db2.gz QVNODOROMZETAA-UHFFFAOYSA-N 2 1 315.505 3.071 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OCC(F)F)cc2)CC1 ZINC000375507313 433481771 /nfs/dbraw/zinc/48/17/71/433481771.db2.gz OKHAPPUJXLHEKB-UHFFFAOYSA-N 2 1 324.415 3.391 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)O1 ZINC000414285488 433512562 /nfs/dbraw/zinc/51/25/62/433512562.db2.gz RSSYGINOYMAIOH-HPUSYDDDSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)O1 ZINC000414285488 433512569 /nfs/dbraw/zinc/51/25/69/433512569.db2.gz RSSYGINOYMAIOH-HPUSYDDDSA-N 2 1 316.489 3.443 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC(C(C)C)C(C)C)CC2)CC1 ZINC000421372201 433515363 /nfs/dbraw/zinc/51/53/63/433515363.db2.gz KUCRYOCOSSOHHW-UHFFFAOYSA-N 2 1 323.569 3.407 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1 ZINC000414293917 433520591 /nfs/dbraw/zinc/52/05/91/433520591.db2.gz WDDTVJMLTCKBEP-INIZCTEOSA-N 2 1 324.472 3.307 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000414293917 433520596 /nfs/dbraw/zinc/52/05/96/433520596.db2.gz WDDTVJMLTCKBEP-INIZCTEOSA-N 2 1 324.472 3.307 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3cccc4ccccc43)C[C@H]12 ZINC000351479587 433523219 /nfs/dbraw/zinc/52/32/19/433523219.db2.gz SBZXYFMHRCJLHC-NZSAHSFTSA-N 2 1 310.441 3.278 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000421377936 433524143 /nfs/dbraw/zinc/52/41/43/433524143.db2.gz SKRJIHXRIWCFBR-IEBWSBKVSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000421377936 433524148 /nfs/dbraw/zinc/52/41/48/433524148.db2.gz SKRJIHXRIWCFBR-IEBWSBKVSA-N 2 1 316.489 3.324 20 0 DGADMP COC1([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414298810 433525222 /nfs/dbraw/zinc/52/52/22/433525222.db2.gz HJTSOWLNYKGYNA-ZIFCJYIRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+]CCCC1(O)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421388568 433531839 /nfs/dbraw/zinc/53/18/39/433531839.db2.gz PZRZSEPZWJDKER-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)cc1 ZINC000282239943 433540268 /nfs/dbraw/zinc/54/02/68/433540268.db2.gz IZXHNKQEAYARQL-GOSISDBHSA-N 2 1 303.494 3.062 20 0 DGADMP C[N@H+](Cc1conc1Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000351392891 433497842 /nfs/dbraw/zinc/49/78/42/433497842.db2.gz BROBQRPCTALTHY-UHFFFAOYSA-N 2 1 313.445 3.039 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539734 433563023 /nfs/dbraw/zinc/56/30/23/433563023.db2.gz VDWNSKYLOVALAO-IBGZPJMESA-N 2 1 320.452 3.025 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539734 433563029 /nfs/dbraw/zinc/56/30/29/433563029.db2.gz VDWNSKYLOVALAO-IBGZPJMESA-N 2 1 320.452 3.025 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539734 433563034 /nfs/dbraw/zinc/56/30/34/433563034.db2.gz VDWNSKYLOVALAO-IBGZPJMESA-N 2 1 320.452 3.025 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539734 433563042 /nfs/dbraw/zinc/56/30/42/433563042.db2.gz VDWNSKYLOVALAO-IBGZPJMESA-N 2 1 320.452 3.025 20 0 DGADMP CCn1ccnc1C[N@@H+](CCCC(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000339408558 433563943 /nfs/dbraw/zinc/56/39/43/433563943.db2.gz SXQIPXDRSUJEFA-KRWDZBQOSA-N 2 1 318.509 3.283 20 0 DGADMP CCOc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362185491 433572810 /nfs/dbraw/zinc/57/28/10/433572810.db2.gz LIQXLRRQSGKOIY-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362185491 433572819 /nfs/dbraw/zinc/57/28/19/433572819.db2.gz LIQXLRRQSGKOIY-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000362185491 433572827 /nfs/dbraw/zinc/57/28/27/433572827.db2.gz LIQXLRRQSGKOIY-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000362185491 433572835 /nfs/dbraw/zinc/57/28/35/433572835.db2.gz LIQXLRRQSGKOIY-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339426796 433573944 /nfs/dbraw/zinc/57/39/44/433573944.db2.gz QHEZULRTVKJFFI-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339426796 433573950 /nfs/dbraw/zinc/57/39/50/433573950.db2.gz QHEZULRTVKJFFI-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP C[N@H+](Cc1cccc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351566366 433580194 /nfs/dbraw/zinc/58/01/94/433580194.db2.gz CLOZOPZUPYGWFZ-AWEZNQCLSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000351566366 433580205 /nfs/dbraw/zinc/58/02/05/433580205.db2.gz CLOZOPZUPYGWFZ-AWEZNQCLSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351566366 433580215 /nfs/dbraw/zinc/58/02/15/433580215.db2.gz CLOZOPZUPYGWFZ-AWEZNQCLSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282366407 433581385 /nfs/dbraw/zinc/58/13/85/433581385.db2.gz IBBZZKBXYINASL-QRQLOZEOSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282366407 433581387 /nfs/dbraw/zinc/58/13/87/433581387.db2.gz IBBZZKBXYINASL-QRQLOZEOSA-N 2 1 316.489 3.302 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000282398792 433592907 /nfs/dbraw/zinc/59/29/07/433592907.db2.gz XUBNZRCVTJYQLQ-AZUAARDMSA-N 2 1 316.489 3.230 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000282398792 433592918 /nfs/dbraw/zinc/59/29/18/433592918.db2.gz XUBNZRCVTJYQLQ-AZUAARDMSA-N 2 1 316.489 3.230 20 0 DGADMP Cc1cc([C@@H](C)NCc2ccccc2C[N@H+](C)C(C)C)nn1C ZINC000282394892 433593276 /nfs/dbraw/zinc/59/32/76/433593276.db2.gz XPKBPWJUCAJZTM-MRXNPFEDSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)nn1C ZINC000282394892 433593288 /nfs/dbraw/zinc/59/32/88/433593288.db2.gz XPKBPWJUCAJZTM-MRXNPFEDSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)nn1C ZINC000282394892 433593295 /nfs/dbraw/zinc/59/32/95/433593295.db2.gz XPKBPWJUCAJZTM-MRXNPFEDSA-N 2 1 314.477 3.420 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000375999914 433638748 /nfs/dbraw/zinc/63/87/48/433638748.db2.gz MKVRTDAKUZCFFN-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591574 433602694 /nfs/dbraw/zinc/60/26/94/433602694.db2.gz FTAODXKOXFSSCA-RBUKOAKNSA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591574 433602701 /nfs/dbraw/zinc/60/27/01/433602701.db2.gz FTAODXKOXFSSCA-RBUKOAKNSA-N 2 1 320.452 3.102 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000282413061 433603059 /nfs/dbraw/zinc/60/30/59/433603059.db2.gz CIEVGKDVLPRMPY-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000282413061 433603067 /nfs/dbraw/zinc/60/30/67/433603067.db2.gz CIEVGKDVLPRMPY-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1occc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000414419560 433606181 /nfs/dbraw/zinc/60/61/81/433606181.db2.gz ZZDCQEWTZFYIKH-IYBDPMFKSA-N 2 1 320.477 3.299 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449025907 433680623 /nfs/dbraw/zinc/68/06/23/433680623.db2.gz DAWWWSPGTGWGLE-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449025907 433680633 /nfs/dbraw/zinc/68/06/33/433680633.db2.gz DAWWWSPGTGWGLE-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000367051371 293016844 /nfs/dbraw/zinc/01/68/44/293016844.db2.gz YNCSOMVZMKEIJO-GOSISDBHSA-N 2 1 302.462 3.187 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(CCO2)CC1 ZINC000367072884 293020481 /nfs/dbraw/zinc/02/04/81/293020481.db2.gz PPYFLEDCPUBKEB-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(CCO2)CC1 ZINC000367072884 293020487 /nfs/dbraw/zinc/02/04/87/293020487.db2.gz PPYFLEDCPUBKEB-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000367084577 293022815 /nfs/dbraw/zinc/02/28/15/293022815.db2.gz BEXUMJVMTAZNRV-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000367084577 293022821 /nfs/dbraw/zinc/02/28/21/293022821.db2.gz BEXUMJVMTAZNRV-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000367189410 293035808 /nfs/dbraw/zinc/03/58/08/293035808.db2.gz WEFLAQHJIUFQNN-MGHWNKPDSA-N 2 1 306.400 3.427 20 0 DGADMP CC(C)CCn1cccc1CNCc1cnc2n1CCCC2 ZINC000367416785 293069422 /nfs/dbraw/zinc/06/94/22/293069422.db2.gz YMWZLUYOJNPXGL-UHFFFAOYSA-N 2 1 300.450 3.357 20 0 DGADMP Cc1cccc(-c2n[nH]cc2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000368366559 293119689 /nfs/dbraw/zinc/11/96/89/293119689.db2.gz FQLVTVMNJOWIOM-ROUUACIJSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000368366559 293119692 /nfs/dbraw/zinc/11/96/92/293119692.db2.gz FQLVTVMNJOWIOM-ROUUACIJSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000368366559 293119695 /nfs/dbraw/zinc/11/96/95/293119695.db2.gz FQLVTVMNJOWIOM-ROUUACIJSA-N 2 1 310.445 3.102 20 0 DGADMP C(CC1CCOCC1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000368495722 293127714 /nfs/dbraw/zinc/12/77/14/293127714.db2.gz WVJHZGJYBYZNMW-HKUYNNGSSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000368495722 293127715 /nfs/dbraw/zinc/12/77/15/293127715.db2.gz WVJHZGJYBYZNMW-HKUYNNGSSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000368495722 293127717 /nfs/dbraw/zinc/12/77/17/293127717.db2.gz WVJHZGJYBYZNMW-HKUYNNGSSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000368495724 293127758 /nfs/dbraw/zinc/12/77/58/293127758.db2.gz WVJHZGJYBYZNMW-MJGOQNOKSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000368495724 293127759 /nfs/dbraw/zinc/12/77/59/293127759.db2.gz WVJHZGJYBYZNMW-MJGOQNOKSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000368495724 293127760 /nfs/dbraw/zinc/12/77/60/293127760.db2.gz WVJHZGJYBYZNMW-MJGOQNOKSA-N 2 1 306.494 3.142 20 0 DGADMP COC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000425947662 293150202 /nfs/dbraw/zinc/15/02/02/293150202.db2.gz VYZMJKKTEATOMX-DOMZBBRYSA-N 2 1 318.383 3.180 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000370532509 293177219 /nfs/dbraw/zinc/17/72/19/293177219.db2.gz ATZAQJGPTWTTLN-YUTCNCBUSA-N 2 1 309.841 3.021 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000370532509 293177221 /nfs/dbraw/zinc/17/72/21/293177221.db2.gz ATZAQJGPTWTTLN-YUTCNCBUSA-N 2 1 309.841 3.021 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000370678608 293185145 /nfs/dbraw/zinc/18/51/45/293185145.db2.gz DCOGFQVSQRNBMC-LPHOPBHVSA-N 3 1 318.509 3.214 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C)nc2)CC1)CC1CC1 ZINC000351757933 433706280 /nfs/dbraw/zinc/70/62/80/433706280.db2.gz HVPJXNZBAGFWSY-UHFFFAOYSA-N 2 1 316.493 3.119 20 0 DGADMP CC(C)c1cc(N2CC[C@H](c3[nH+]ccn3C)C2)nc(C(C)C)n1 ZINC000372348608 293237277 /nfs/dbraw/zinc/23/72/77/293237277.db2.gz XQUOJSXELXTLJH-AWEZNQCLSA-N 2 1 313.449 3.451 20 0 DGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCSC1 ZINC000373349804 293263834 /nfs/dbraw/zinc/26/38/34/293263834.db2.gz JOONEVYFZUZRCI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCSC1 ZINC000373349804 293263836 /nfs/dbraw/zinc/26/38/36/293263836.db2.gz JOONEVYFZUZRCI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCSC1 ZINC000373349804 293263837 /nfs/dbraw/zinc/26/38/37/293263837.db2.gz JOONEVYFZUZRCI-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373977598 293338308 /nfs/dbraw/zinc/33/83/08/293338308.db2.gz OCLZTIHOVBZSII-JCHJZTRSSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374335614 293385440 /nfs/dbraw/zinc/38/54/40/293385440.db2.gz YDQVWGLHULXUPS-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374335614 293385441 /nfs/dbraw/zinc/38/54/41/293385441.db2.gz YDQVWGLHULXUPS-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccccc1Cl ZINC000374430362 293399913 /nfs/dbraw/zinc/39/99/13/293399913.db2.gz SHQWTKDBUQUMPR-KBAYOESNSA-N 2 1 322.880 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccccc1Cl ZINC000374430362 293399915 /nfs/dbraw/zinc/39/99/15/293399915.db2.gz SHQWTKDBUQUMPR-KBAYOESNSA-N 2 1 322.880 3.066 20 0 DGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000449221601 433729156 /nfs/dbraw/zinc/72/91/56/433729156.db2.gz GUPUKVFJANMLCG-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000356854566 433731037 /nfs/dbraw/zinc/73/10/37/433731037.db2.gz UITDPKFWSJBSCY-UMGGQSCQSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000356854566 433731044 /nfs/dbraw/zinc/73/10/44/433731044.db2.gz UITDPKFWSJBSCY-UMGGQSCQSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1F ZINC000356846797 433732449 /nfs/dbraw/zinc/73/24/49/433732449.db2.gz IZTJFOAITYZCDR-BBRMVZONSA-N 2 1 317.408 3.225 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000449300500 433734895 /nfs/dbraw/zinc/73/48/95/433734895.db2.gz OWIMLIBYWVSGMN-SJLPKXTDSA-N 2 1 306.494 3.475 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000356862333 433735958 /nfs/dbraw/zinc/73/59/58/433735958.db2.gz ZLXGLEHKGFNMOT-PKOBYXMFSA-N 2 1 316.489 3.098 20 0 DGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)[C@@H]1C ZINC000449385427 433738427 /nfs/dbraw/zinc/73/84/27/433738427.db2.gz QKJKOYDGCBCKEU-VSZNYVQBSA-N 2 1 324.509 3.064 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421816791 433740225 /nfs/dbraw/zinc/74/02/25/433740225.db2.gz QVEJDZIYKJEVKA-WMZOPIPTSA-N 2 1 301.478 3.183 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421821136 433744544 /nfs/dbraw/zinc/74/45/44/433744544.db2.gz PPVUYPWZBKBQDB-FQEVSTJZSA-N 2 1 323.484 3.441 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000421823197 433750179 /nfs/dbraw/zinc/75/01/79/433750179.db2.gz YUNYTUVCDRYDGZ-QWHCGFSZSA-N 2 1 310.844 3.484 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000351848129 433755576 /nfs/dbraw/zinc/75/55/76/433755576.db2.gz CDFBSJQTCYYOML-WCQYABFASA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000351862478 433757787 /nfs/dbraw/zinc/75/77/87/433757787.db2.gz PJZCAUXNFOFFPL-VQIMIIECSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857018 433758399 /nfs/dbraw/zinc/75/83/99/433758399.db2.gz ANDJOCHPDVDLLX-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857018 433758401 /nfs/dbraw/zinc/75/84/01/433758401.db2.gz ANDJOCHPDVDLLX-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449752251 433766459 /nfs/dbraw/zinc/76/64/59/433766459.db2.gz BUOPNCOMCDBTHJ-MTFMMBMASA-N 2 1 316.489 3.444 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000414652612 433770765 /nfs/dbraw/zinc/77/07/65/433770765.db2.gz DNHQTUWRFCMFNV-QWRGUYRKSA-N 2 1 317.296 3.378 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000414652612 433770774 /nfs/dbraw/zinc/77/07/74/433770774.db2.gz DNHQTUWRFCMFNV-QWRGUYRKSA-N 2 1 317.296 3.378 20 0 DGADMP C1CC1[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449071477 433723614 /nfs/dbraw/zinc/72/36/14/433723614.db2.gz NYQKQIZRIALATA-UHFFFAOYSA-N 2 1 306.494 3.473 20 0 DGADMP C/C(=C/c1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432348059 433823785 /nfs/dbraw/zinc/82/37/85/433823785.db2.gz RQOUDZVAXNSOSJ-DNKLCNGGSA-N 2 1 302.462 3.180 20 0 DGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(Cl)c1 ZINC000356930004 433774487 /nfs/dbraw/zinc/77/44/87/433774487.db2.gz WMBOAXQPSLNFHZ-LBPRGKRZSA-N 2 1 307.825 3.279 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000421856656 433777348 /nfs/dbraw/zinc/77/73/48/433777348.db2.gz NUKWQIZSVPUSKW-MSOLQXFVSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000421856656 433777355 /nfs/dbraw/zinc/77/73/55/433777355.db2.gz NUKWQIZSVPUSKW-MSOLQXFVSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414669159 433778077 /nfs/dbraw/zinc/77/80/77/433778077.db2.gz BJESMBUCEDFNER-UWVAXJGDSA-N 2 1 309.457 3.281 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449778694 433786318 /nfs/dbraw/zinc/78/63/18/433786318.db2.gz BXJYCGFASIQEFF-AWEZNQCLSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449778694 433786327 /nfs/dbraw/zinc/78/63/27/433786327.db2.gz BXJYCGFASIQEFF-AWEZNQCLSA-N 2 1 321.440 3.007 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000293567657 433788359 /nfs/dbraw/zinc/78/83/59/433788359.db2.gz MTJAQKOMVJIWLC-IBGZPJMESA-N 2 1 301.478 3.295 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000293567657 433788365 /nfs/dbraw/zinc/78/83/65/433788365.db2.gz MTJAQKOMVJIWLC-IBGZPJMESA-N 2 1 301.478 3.295 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293567657 433788377 /nfs/dbraw/zinc/78/83/77/433788377.db2.gz MTJAQKOMVJIWLC-IBGZPJMESA-N 2 1 301.478 3.295 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000293567657 433788389 /nfs/dbraw/zinc/78/83/89/433788389.db2.gz MTJAQKOMVJIWLC-IBGZPJMESA-N 2 1 301.478 3.295 20 0 DGADMP Brc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772846 433824633 /nfs/dbraw/zinc/82/46/33/433824633.db2.gz CPMFGVYBCHLMBF-KGLIPLIRSA-N 2 1 323.278 3.271 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1O ZINC000449782804 433791683 /nfs/dbraw/zinc/79/16/83/433791683.db2.gz LXHPMWUFAIDQEJ-HNNXBMFYSA-N 2 1 320.477 3.186 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1O ZINC000449782804 433791695 /nfs/dbraw/zinc/79/16/95/433791695.db2.gz LXHPMWUFAIDQEJ-HNNXBMFYSA-N 2 1 320.477 3.186 20 0 DGADMP C[C@@H]1C[C@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000414692722 433797232 /nfs/dbraw/zinc/79/72/32/433797232.db2.gz KXTNAQPBVMEVST-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772876 433824858 /nfs/dbraw/zinc/82/48/58/433824858.db2.gz CRCWZOLSZNLRNB-SJORKVTESA-N 2 1 302.462 3.079 20 0 DGADMP C[C@@H]1C[C@H](C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414705394 433799376 /nfs/dbraw/zinc/79/93/76/433799376.db2.gz LNVSDVCXCJTTBE-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H]1C[C@H](C[N@H+]2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000414703837 433800309 /nfs/dbraw/zinc/80/03/09/433800309.db2.gz YFGDWMQFHTWFHT-QWHCGFSZSA-N 2 1 323.278 3.195 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414705268 433801319 /nfs/dbraw/zinc/80/13/19/433801319.db2.gz LHFLPMOLRXDBDC-LZLYRXPVSA-N 2 1 304.478 3.194 20 0 DGADMP CC[NH+](CC)CCN(Cc1cc(OC)cc(C)[nH+]1)CC(C)C ZINC000339819080 433802404 /nfs/dbraw/zinc/80/24/04/433802404.db2.gz DNXCPSLMURZXGZ-UHFFFAOYSA-N 2 1 307.482 3.198 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414710398 433803072 /nfs/dbraw/zinc/80/30/72/433803072.db2.gz QVIMTDQDNXCUHL-JKIFEVAISA-N 2 1 308.853 3.181 20 0 DGADMP CC(C)C[C@@H](C)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000414721522 433806972 /nfs/dbraw/zinc/80/69/72/433806972.db2.gz HHMQMMBINRDGMG-SJORKVTESA-N 2 1 318.509 3.046 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]2C ZINC000414756532 433814709 /nfs/dbraw/zinc/81/47/09/433814709.db2.gz JYKICIIOVMJTCS-YHUYYLMFSA-N 2 1 302.462 3.391 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000414757634 433817741 /nfs/dbraw/zinc/81/77/41/433817741.db2.gz SXSHGWUCSNQFHJ-OLZOCXBDSA-N 2 1 323.278 3.195 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414772727 433825539 /nfs/dbraw/zinc/82/55/39/433825539.db2.gz VJCOQUFMEUARHB-HDICACEKSA-N 2 1 302.462 3.153 20 0 DGADMP Fc1ccc(C(C[NH2+]C[C@H]2CCC[NH2+]2)c2ccc(F)cc2)cc1 ZINC000414839107 433873215 /nfs/dbraw/zinc/87/32/15/433873215.db2.gz FSRZTWDJFIEGHS-GOSISDBHSA-N 2 1 316.395 3.438 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414779939 433830158 /nfs/dbraw/zinc/83/01/58/433830158.db2.gz KXVWCOQLQXUVMS-LSDHHAIUSA-N 2 1 310.388 3.110 20 0 DGADMP COc1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866733 433830820 /nfs/dbraw/zinc/83/08/20/433830820.db2.gz LIPBKLILJFBXPV-FUHWJXTLSA-N 2 1 317.477 3.177 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414785008 433833321 /nfs/dbraw/zinc/83/33/21/433833321.db2.gz RYEXZNHAVXTVJG-ZIAGYGMSSA-N 2 1 307.507 3.262 20 0 DGADMP c1coc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000357042526 433841508 /nfs/dbraw/zinc/84/15/08/433841508.db2.gz FAPIJDVAAZHUTL-AWEZNQCLSA-N 2 1 317.458 3.225 20 0 DGADMP Cc1nccn1CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000362754587 433847548 /nfs/dbraw/zinc/84/75/48/433847548.db2.gz YBWAKGGZVKWFHM-MJGOQNOKSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754587 433847557 /nfs/dbraw/zinc/84/75/57/433847557.db2.gz YBWAKGGZVKWFHM-MJGOQNOKSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754587 433847568 /nfs/dbraw/zinc/84/75/68/433847568.db2.gz YBWAKGGZVKWFHM-MJGOQNOKSA-N 2 1 318.509 3.168 20 0 DGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414805927 433848622 /nfs/dbraw/zinc/84/86/22/433848622.db2.gz YYNZXLFWRYCDGU-NOZJJQNGSA-N 2 1 317.658 3.320 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164023 433851459 /nfs/dbraw/zinc/85/14/59/433851459.db2.gz FCXSWYATYGHIMN-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164023 433851470 /nfs/dbraw/zinc/85/14/70/433851470.db2.gz FCXSWYATYGHIMN-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000414813351 433853957 /nfs/dbraw/zinc/85/39/57/433853957.db2.gz MJISSIWKXHKMAP-GDBMZVCRSA-N 2 1 305.466 3.128 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)C1CC1 ZINC000414812919 433855118 /nfs/dbraw/zinc/85/51/18/433855118.db2.gz QGZUDPHNIKSLEN-GOSISDBHSA-N 2 1 300.377 3.445 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000414814995 433857553 /nfs/dbraw/zinc/85/75/53/433857553.db2.gz ZRVJQSDFVIDHGD-ZAWLATJESA-N 3 1 307.526 3.137 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414819324 433859940 /nfs/dbraw/zinc/85/99/40/433859940.db2.gz YKXOZWCICZSQOM-IUODEOHRSA-N 2 1 313.283 3.487 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000414823066 433861988 /nfs/dbraw/zinc/86/19/88/433861988.db2.gz AQHQJERMKXFMIT-QWRGUYRKSA-N 2 1 315.230 3.066 20 0 DGADMP CCC[C@H](C)C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435427887 433871090 /nfs/dbraw/zinc/87/10/90/433871090.db2.gz OYBCIXDJRLORQS-IRXDYDNUSA-N 2 1 318.509 3.283 20 0 DGADMP FC(F)(F)C1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414880080 433901685 /nfs/dbraw/zinc/90/16/85/433901685.db2.gz PTLRFLOKCXSPRC-UHFFFAOYSA-N 2 1 315.383 3.272 20 0 DGADMP [NH3+][C@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)C1CC1 ZINC000414888797 433905743 /nfs/dbraw/zinc/90/57/43/433905743.db2.gz KPXXBHRJJJPZEQ-GOSISDBHSA-N 2 1 300.377 3.445 20 0 DGADMP Clc1sc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000414903060 433909713 /nfs/dbraw/zinc/90/97/13/433909713.db2.gz JBBVQACBCMEIET-MRVPVSSYSA-N 2 1 323.687 3.396 20 0 DGADMP COc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)sc2c1 ZINC000422561322 433920976 /nfs/dbraw/zinc/92/09/76/433920976.db2.gz KPWFMFXPFMYPAN-AGIUHOORSA-N 2 1 319.474 3.110 20 0 DGADMP COc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)sc2c1 ZINC000422561322 433920984 /nfs/dbraw/zinc/92/09/84/433920984.db2.gz KPWFMFXPFMYPAN-AGIUHOORSA-N 2 1 319.474 3.110 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293644 433930266 /nfs/dbraw/zinc/93/02/66/433930266.db2.gz OSNCFBJCEGJLHC-WDSOQIARSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293644 433930278 /nfs/dbraw/zinc/93/02/78/433930278.db2.gz OSNCFBJCEGJLHC-WDSOQIARSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293644 433930287 /nfs/dbraw/zinc/93/02/87/433930287.db2.gz OSNCFBJCEGJLHC-WDSOQIARSA-N 2 1 307.526 3.103 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414850723 433881140 /nfs/dbraw/zinc/88/11/40/433881140.db2.gz IHQFDBICGKOZLL-MNOVXSKESA-N 2 1 317.260 3.480 20 0 DGADMP Clc1sc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414852959 433881907 /nfs/dbraw/zinc/88/19/07/433881907.db2.gz KGQAQLOLLORIAM-MRVPVSSYSA-N 2 1 323.687 3.253 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414861230 433891176 /nfs/dbraw/zinc/89/11/76/433891176.db2.gz WFPBOATZTMYDOM-MNOVXSKESA-N 2 1 317.260 3.480 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861767 433891236 /nfs/dbraw/zinc/89/12/36/433891236.db2.gz WTUXXSZPJINOGS-QGZVKYPTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861767 433891243 /nfs/dbraw/zinc/89/12/43/433891243.db2.gz WTUXXSZPJINOGS-QGZVKYPTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866573 433891554 /nfs/dbraw/zinc/89/15/54/433891554.db2.gz NFDABRSJAPOJTM-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)sc1Br ZINC000414959675 433941622 /nfs/dbraw/zinc/94/16/22/433941622.db2.gz XMPWNICCFHMECW-ZJUUUORDSA-N 2 1 303.269 3.049 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000422711021 433946391 /nfs/dbraw/zinc/94/63/91/433946391.db2.gz MPZIZCRSYZTRFQ-ATZDWAIDSA-N 2 1 321.484 3.329 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726816 433949350 /nfs/dbraw/zinc/94/93/50/433949350.db2.gz GAILOALACROPKN-FCEWJHQRSA-N 2 1 317.521 3.175 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422726816 433949360 /nfs/dbraw/zinc/94/93/60/433949360.db2.gz GAILOALACROPKN-FCEWJHQRSA-N 2 1 317.521 3.175 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414973268 433949384 /nfs/dbraw/zinc/94/93/84/433949384.db2.gz CBFVIFOAVKRXAB-INIZCTEOSA-N 2 1 302.393 3.232 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422726956 433950056 /nfs/dbraw/zinc/95/00/56/433950056.db2.gz AYTLTEDVZFQVIB-MGPUTAFESA-N 2 1 307.441 3.259 20 0 DGADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171999 433953916 /nfs/dbraw/zinc/95/39/16/433953916.db2.gz DXXBJZJLVAGHDK-YZGWKJHDSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000414987888 433956671 /nfs/dbraw/zinc/95/66/71/433956671.db2.gz ZJDPCVAHXYVDQR-KRWDZBQOSA-N 2 1 314.429 3.101 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422729447 433957053 /nfs/dbraw/zinc/95/70/53/433957053.db2.gz IBMWECFWBVQVND-PMPSAXMXSA-N 2 1 307.507 3.135 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175151 433957331 /nfs/dbraw/zinc/95/73/31/433957331.db2.gz JNVAUTZQYAZOJG-XKGZKEIXSA-N 2 1 324.472 3.223 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422732708 433957247 /nfs/dbraw/zinc/95/72/47/433957247.db2.gz QESBJVPFLPIQFN-YDZRNGNQSA-N 2 1 307.526 3.151 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175151 433957338 /nfs/dbraw/zinc/95/73/38/433957338.db2.gz JNVAUTZQYAZOJG-XKGZKEIXSA-N 2 1 324.472 3.223 20 0 DGADMP CN(Cc1ccc(C(F)(F)F)cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285457673 433958198 /nfs/dbraw/zinc/95/81/98/433958198.db2.gz JOBKFVDXTAYQHH-YIONKMFJSA-N 2 1 313.367 3.157 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(C(=O)OC)cc1 ZINC000340173234 433958634 /nfs/dbraw/zinc/95/86/34/433958634.db2.gz FHDHCDMGIHZCFL-KRWDZBQOSA-N 2 1 306.450 3.244 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C(=O)OC)cc1 ZINC000340173234 433958642 /nfs/dbraw/zinc/95/86/42/433958642.db2.gz FHDHCDMGIHZCFL-KRWDZBQOSA-N 2 1 306.450 3.244 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175149 433959862 /nfs/dbraw/zinc/95/98/62/433959862.db2.gz JNVAUTZQYAZOJG-ILZDJORESA-N 2 1 324.472 3.223 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175149 433959868 /nfs/dbraw/zinc/95/98/68/433959868.db2.gz JNVAUTZQYAZOJG-ILZDJORESA-N 2 1 324.472 3.223 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422738579 433960234 /nfs/dbraw/zinc/96/02/34/433960234.db2.gz JWARRKOFBZBLEN-XGXHKWSGSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422738579 433960250 /nfs/dbraw/zinc/96/02/50/433960250.db2.gz JWARRKOFBZBLEN-XGXHKWSGSA-N 2 1 301.478 3.072 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422779789 433992671 /nfs/dbraw/zinc/99/26/71/433992671.db2.gz GNPPZGBPBYPPSF-MOPGFXCFSA-N 3 1 303.494 3.278 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422738578 433963114 /nfs/dbraw/zinc/96/31/14/433963114.db2.gz JWARRKOFBZBLEN-QXCFHYIPSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422738578 433963123 /nfs/dbraw/zinc/96/31/23/433963123.db2.gz JWARRKOFBZBLEN-QXCFHYIPSA-N 2 1 301.478 3.072 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCc4cccnc4)C3)C2)cc1 ZINC000285489397 433964550 /nfs/dbraw/zinc/96/45/50/433964550.db2.gz INZXMOHXZFYZBZ-OAQYLSRUSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCc4cccnc4)C3)C2)cc1 ZINC000285489397 433964561 /nfs/dbraw/zinc/96/45/61/433964561.db2.gz INZXMOHXZFYZBZ-OAQYLSRUSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCc4cccnc4)C3)C2)cc1 ZINC000285489397 433964569 /nfs/dbraw/zinc/96/45/69/433964569.db2.gz INZXMOHXZFYZBZ-OAQYLSRUSA-N 2 1 321.468 3.222 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743666 433967288 /nfs/dbraw/zinc/96/72/88/433967288.db2.gz IWGNLPDKJNGVAB-MBOZVWFJSA-N 2 1 315.505 3.190 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000415004129 433967619 /nfs/dbraw/zinc/96/76/19/433967619.db2.gz NVHYTSYUTUSDEJ-KRWDZBQOSA-N 2 1 317.383 3.083 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414997808 433967688 /nfs/dbraw/zinc/96/76/88/433967688.db2.gz HXBFMQYWTWQVJT-LBPRGKRZSA-N 2 1 318.795 3.073 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422745280 433968589 /nfs/dbraw/zinc/96/85/89/433968589.db2.gz LUCGFEMHSSWWLK-IMFGXOCKSA-N 2 1 315.505 3.319 20 0 DGADMP C[N@@H+](CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757566 433978163 /nfs/dbraw/zinc/97/81/63/433978163.db2.gz JRFZESSHLPEKPW-RTWAWAEBSA-N 2 1 323.484 3.201 20 0 DGADMP Cc1nccn1CCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377732798 433980488 /nfs/dbraw/zinc/98/04/88/433980488.db2.gz PGAKWFXXIMKMMQ-LJQANCHMSA-N 2 1 311.429 3.051 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377732798 433980496 /nfs/dbraw/zinc/98/04/96/433980496.db2.gz PGAKWFXXIMKMMQ-LJQANCHMSA-N 2 1 311.429 3.051 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377732798 433980503 /nfs/dbraw/zinc/98/05/03/433980503.db2.gz PGAKWFXXIMKMMQ-LJQANCHMSA-N 2 1 311.429 3.051 20 0 DGADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000422765792 433982040 /nfs/dbraw/zinc/98/20/40/433982040.db2.gz LFPJBLTZWOQJLP-HOTGVXAUSA-N 2 1 322.518 3.307 20 0 DGADMP COCc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1F ZINC000422763891 433982153 /nfs/dbraw/zinc/98/21/53/433982153.db2.gz OAIFXCJDYBJVMN-IFXJQAMLSA-N 2 1 316.420 3.020 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422761385 433984821 /nfs/dbraw/zinc/98/48/21/433984821.db2.gz HOPAWCBKMWZFKF-MOPGFXCFSA-N 2 1 312.461 3.239 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000340201731 433985293 /nfs/dbraw/zinc/98/52/93/433985293.db2.gz WJBSKTTYICLJAM-ICSRJNTNSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000340201731 433985301 /nfs/dbraw/zinc/98/53/01/433985301.db2.gz WJBSKTTYICLJAM-ICSRJNTNSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2nccs2)C[C@H]1c1ccccc1 ZINC000340215672 433991904 /nfs/dbraw/zinc/99/19/04/433991904.db2.gz WTYBSTZLJJJTGK-CVEARBPZSA-N 2 1 301.459 3.111 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2nccs2)C[C@H]1c1ccccc1 ZINC000340215672 433991910 /nfs/dbraw/zinc/99/19/10/433991910.db2.gz WTYBSTZLJJJTGK-CVEARBPZSA-N 2 1 301.459 3.111 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000422708951 433938451 /nfs/dbraw/zinc/93/84/51/433938451.db2.gz CMHZRVRNGHAFAC-IUCAKERBSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[NH2+]1 ZINC000414961378 433939107 /nfs/dbraw/zinc/93/91/07/433939107.db2.gz ZAISJDSXBUAATI-GXSJLCMTSA-N 2 1 317.658 3.333 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704380 433939755 /nfs/dbraw/zinc/93/97/55/433939755.db2.gz PODLXYUBXUTUMA-BEFAXECRSA-N 2 1 322.456 3.044 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000285581320 434003589 /nfs/dbraw/zinc/00/35/89/434003589.db2.gz IQXOPWWOTBUSCW-LLVKDONJSA-N 2 1 324.490 3.495 20 0 DGADMP C[C@@H]([NH2+]CC1(c2ccccc2Br)CC1)[C@H]1CCC[NH2+]1 ZINC000422788673 434004098 /nfs/dbraw/zinc/00/40/98/434004098.db2.gz SORPRKSTKLLNHJ-IUODEOHRSA-N 2 1 323.278 3.211 20 0 DGADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000304368320 434006432 /nfs/dbraw/zinc/00/64/32/434006432.db2.gz ZKGNEUDUXKQLBC-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422791702 434006290 /nfs/dbraw/zinc/00/62/90/434006290.db2.gz CWERROXZHIWCFD-VNTMZGSJSA-N 2 1 319.537 3.151 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377833004 434009004 /nfs/dbraw/zinc/00/90/04/434009004.db2.gz WLYNBYYUIDDRLO-UXHICEINSA-N 2 1 315.505 3.238 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377833006 434009850 /nfs/dbraw/zinc/00/98/50/434009850.db2.gz WLYNBYYUIDDRLO-WOJBJXKFSA-N 2 1 315.505 3.238 20 0 DGADMP C[N@@H+]1CC[C@H](N[C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246953 434012066 /nfs/dbraw/zinc/01/20/66/434012066.db2.gz ZGCWLPHYEDSKME-SLFFLAALSA-N 2 1 310.441 3.145 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246953 434012075 /nfs/dbraw/zinc/01/20/75/434012075.db2.gz ZGCWLPHYEDSKME-SLFFLAALSA-N 2 1 310.441 3.145 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000340270149 434025971 /nfs/dbraw/zinc/02/59/71/434025971.db2.gz BACSYPPYSZFXKY-ZAWLATJESA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000340270149 434025978 /nfs/dbraw/zinc/02/59/78/434025978.db2.gz BACSYPPYSZFXKY-ZAWLATJESA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H](CCN[C@H]1CCCCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816801 434026932 /nfs/dbraw/zinc/02/69/32/434026932.db2.gz BLVFKAGAVIFQQJ-QRQLOZEOSA-N 2 1 303.494 3.147 20 0 DGADMP COc1ccc(-c2csc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)cc1 ZINC000422826284 434031804 /nfs/dbraw/zinc/03/18/04/434031804.db2.gz QNXSFWRZIWXRBT-IRXDYDNUSA-N 2 1 302.443 3.393 20 0 DGADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830419 434033388 /nfs/dbraw/zinc/03/33/88/434033388.db2.gz RADXLJTWYBEFPL-ZWKOTPCHSA-N 2 1 321.534 3.210 20 0 DGADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830416 434037204 /nfs/dbraw/zinc/03/72/04/434037204.db2.gz RADXLJTWYBEFPL-MSOLQXFVSA-N 2 1 321.534 3.210 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)c2ccccc21 ZINC000422827475 434037450 /nfs/dbraw/zinc/03/74/50/434037450.db2.gz NAAYVHHVYQJLLK-PMACEKPBSA-N 2 1 318.424 3.166 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(C)C)cc1 ZINC000305101638 434040435 /nfs/dbraw/zinc/04/04/35/434040435.db2.gz AEMWZCYDNRNFRP-RDTXWAMCSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000285685513 434041470 /nfs/dbraw/zinc/04/14/70/434041470.db2.gz OESABQLCJXXBDD-PBPGXSGUSA-N 2 1 316.489 3.454 20 0 DGADMP CC1(C)Cc2occc2[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000305104298 434042759 /nfs/dbraw/zinc/04/27/59/434042759.db2.gz CIOFQLZPXNXUAI-NVXWUHKLSA-N 2 1 320.477 3.120 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340228334 433994575 /nfs/dbraw/zinc/99/45/75/433994575.db2.gz AZVZFLKGLJIGTF-HBMCJLEFSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340228334 433994587 /nfs/dbraw/zinc/99/45/87/433994587.db2.gz AZVZFLKGLJIGTF-HBMCJLEFSA-N 2 1 324.468 3.015 20 0 DGADMP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422784043 433997308 /nfs/dbraw/zinc/99/73/08/433997308.db2.gz LSVXSWNMYWRHJA-KSSFIOAISA-N 2 1 321.896 3.035 20 0 DGADMP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422784026 434000042 /nfs/dbraw/zinc/00/00/42/434000042.db2.gz LSVXSWNMYWRHJA-KBXCAEBGSA-N 2 1 321.896 3.035 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C[C@H]1c1ccccc1 ZINC000340233267 434000820 /nfs/dbraw/zinc/00/08/20/434000820.db2.gz SWSZXFUXLHFSCP-PMACEKPBSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C[C@H]1c1ccccc1 ZINC000340233267 434000826 /nfs/dbraw/zinc/00/08/26/434000826.db2.gz SWSZXFUXLHFSCP-PMACEKPBSA-N 2 1 310.441 3.104 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422860027 434062625 /nfs/dbraw/zinc/06/26/25/434062625.db2.gz KYIIZXZNYXFBAF-HLIPFELVSA-N 2 1 315.505 3.149 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422860464 434063347 /nfs/dbraw/zinc/06/33/47/434063347.db2.gz MKNKQGCWKJELAO-GOEBONIOSA-N 2 1 320.477 3.102 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)CC[NH2+]1 ZINC000414960239 293895569 /nfs/dbraw/zinc/89/55/69/293895569.db2.gz YABTXAYPRNZJPN-GXSJLCMTSA-N 2 1 317.658 3.333 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868757 434067508 /nfs/dbraw/zinc/06/75/08/434067508.db2.gz VVQVGUVUICAPMR-UJWQCDCRSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000422868757 434067515 /nfs/dbraw/zinc/06/75/15/434067515.db2.gz VVQVGUVUICAPMR-UJWQCDCRSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867339 434068215 /nfs/dbraw/zinc/06/82/15/434068215.db2.gz RXZDDMNMQXCLMA-UJWQCDCRSA-N 2 1 307.526 3.150 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCCC[C@H]1C ZINC000422867339 434068223 /nfs/dbraw/zinc/06/82/23/434068223.db2.gz RXZDDMNMQXCLMA-UJWQCDCRSA-N 2 1 307.526 3.150 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422877377 434071610 /nfs/dbraw/zinc/07/16/10/434071610.db2.gz HWWHOUWOYNFIHW-WOUAJJJCSA-N 2 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422877377 434071623 /nfs/dbraw/zinc/07/16/23/434071623.db2.gz HWWHOUWOYNFIHW-WOUAJJJCSA-N 3 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422877377 434071636 /nfs/dbraw/zinc/07/16/36/434071636.db2.gz HWWHOUWOYNFIHW-WOUAJJJCSA-N 3 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422878991 434074475 /nfs/dbraw/zinc/07/44/75/434074475.db2.gz JWGFCOBZCRUTAX-WOUAJJJCSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422878991 434074486 /nfs/dbraw/zinc/07/44/86/434074486.db2.gz JWGFCOBZCRUTAX-WOUAJJJCSA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422878991 434074493 /nfs/dbraw/zinc/07/44/93/434074493.db2.gz JWGFCOBZCRUTAX-WOUAJJJCSA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422878991 434074501 /nfs/dbraw/zinc/07/45/01/434074501.db2.gz JWGFCOBZCRUTAX-WOUAJJJCSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422878991 434074511 /nfs/dbraw/zinc/07/45/11/434074511.db2.gz JWGFCOBZCRUTAX-WOUAJJJCSA-N 2 1 315.505 3.479 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423205234 293915329 /nfs/dbraw/zinc/91/53/29/293915329.db2.gz DZJULPLUAXMESP-NEPJUHHUSA-N 2 1 312.841 3.007 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353385015 434100462 /nfs/dbraw/zinc/10/04/62/434100462.db2.gz IQXASHWTINJEIQ-BQFCYCMXSA-N 2 1 311.429 3.304 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353385015 434100474 /nfs/dbraw/zinc/10/04/74/434100474.db2.gz IQXASHWTINJEIQ-BQFCYCMXSA-N 2 1 311.429 3.304 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OCCC(C)C ZINC000422883596 434082438 /nfs/dbraw/zinc/08/24/38/434082438.db2.gz QUTNTZDQWUCVQL-CVEARBPZSA-N 2 1 306.450 3.090 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OCCC(C)C ZINC000422883600 434082505 /nfs/dbraw/zinc/08/25/05/434082505.db2.gz QUTNTZDQWUCVQL-HZPDHXFCSA-N 2 1 306.450 3.090 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000422897774 434090058 /nfs/dbraw/zinc/09/00/58/434090058.db2.gz CTMBBPQBKJGJKI-GMBSWORKSA-N 2 1 311.429 3.313 20 0 DGADMP CCC(C)(C)OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000308730083 434090878 /nfs/dbraw/zinc/09/08/78/434090878.db2.gz IYMGCFRNNYQOSE-UHFFFAOYSA-N 2 1 318.505 3.488 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719905 434095723 /nfs/dbraw/zinc/09/57/23/434095723.db2.gz LVXXWEYMAHXHDK-HSALFYBXSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309719905 434095731 /nfs/dbraw/zinc/09/57/31/434095731.db2.gz LVXXWEYMAHXHDK-HSALFYBXSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719905 434095738 /nfs/dbraw/zinc/09/57/38/434095738.db2.gz LVXXWEYMAHXHDK-HSALFYBXSA-N 2 1 315.505 3.006 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309744331 434097794 /nfs/dbraw/zinc/09/77/94/434097794.db2.gz SXNZPXNEYGNYNT-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340379501 434099198 /nfs/dbraw/zinc/09/91/98/434099198.db2.gz VNYHCPLUDLRQKW-NZSAHSFTSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(F)c1 ZINC000422846044 434052077 /nfs/dbraw/zinc/05/20/77/434052077.db2.gz DQADZWDMTHFBDW-GXTWGEPZSA-N 2 1 303.381 3.141 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CCC(=O)CC3)C2)CC1 ZINC000450325228 434105125 /nfs/dbraw/zinc/10/51/25/434105125.db2.gz SUYJKCUAEFCJRP-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP CN(C)c1cccnc1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397819 434106545 /nfs/dbraw/zinc/10/65/45/434106545.db2.gz VYNXEMOSPPHEKC-XLIONFOSSA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340397819 434106552 /nfs/dbraw/zinc/10/65/52/434106552.db2.gz VYNXEMOSPPHEKC-XLIONFOSSA-N 2 1 324.472 3.073 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397959 434106631 /nfs/dbraw/zinc/10/66/31/434106631.db2.gz WFKHKRYTEBJFJT-MSOLQXFVSA-N 2 1 318.461 3.388 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397959 434106639 /nfs/dbraw/zinc/10/66/39/434106639.db2.gz WFKHKRYTEBJFJT-MSOLQXFVSA-N 2 1 318.461 3.388 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459432651 293977475 /nfs/dbraw/zinc/97/74/75/293977475.db2.gz SKVFZLCGVVOXIJ-MSOLQXFVSA-N 2 1 316.493 3.344 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422928045 434112261 /nfs/dbraw/zinc/11/22/61/434112261.db2.gz IQDLCSNOIQAZOL-HUBLWGQQSA-N 2 1 311.267 3.110 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499208395 294081040 /nfs/dbraw/zinc/08/10/40/294081040.db2.gz BFYHRLFLDDCUGZ-URWLHXRESA-N 2 1 314.473 3.075 20 0 DGADMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000501155957 294133718 /nfs/dbraw/zinc/13/37/18/294133718.db2.gz XWMULLUHSDOETN-UHFFFAOYSA-N 2 1 309.542 3.303 20 0 DGADMP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000502287025 294161360 /nfs/dbraw/zinc/16/13/60/294161360.db2.gz RDSHWAXNECJWKW-KXBFYZLASA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000502287025 294161362 /nfs/dbraw/zinc/16/13/62/294161362.db2.gz RDSHWAXNECJWKW-KXBFYZLASA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000502287025 294161364 /nfs/dbraw/zinc/16/13/64/294161364.db2.gz RDSHWAXNECJWKW-KXBFYZLASA-N 2 1 304.478 3.420 20 0 DGADMP CCOc1ccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422945767 434128759 /nfs/dbraw/zinc/12/87/59/434128759.db2.gz NVGACFWHQKSAJX-FOIQADDNSA-N 2 1 310.441 3.372 20 0 DGADMP CCC[C@@H](C)[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000507005629 294278931 /nfs/dbraw/zinc/27/89/31/294278931.db2.gz CDABDMXPJRWTTE-QGZVFWFLSA-N 2 1 303.494 3.449 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508697692 294330890 /nfs/dbraw/zinc/33/08/90/294330890.db2.gz MSVOADYUKIKLIJ-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508697692 294330891 /nfs/dbraw/zinc/33/08/91/294330891.db2.gz MSVOADYUKIKLIJ-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508697692 294330892 /nfs/dbraw/zinc/33/08/92/294330892.db2.gz MSVOADYUKIKLIJ-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000285995053 434130863 /nfs/dbraw/zinc/13/08/63/434130863.db2.gz IHUROQINHWUKNO-LBPRGKRZSA-N 2 1 321.446 3.171 20 0 DGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000509936463 294369145 /nfs/dbraw/zinc/36/91/45/294369145.db2.gz CBJNDCLRIXJJLJ-ZWKOTPCHSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@@H]1CC[N@@H+](C)CCN1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000353435940 434132455 /nfs/dbraw/zinc/13/24/55/434132455.db2.gz ALUZDFIPZHCXLO-GOSISDBHSA-N 2 1 317.521 3.171 20 0 DGADMP C[C@@H]1CC[NH+](C)CCN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353435940 434132465 /nfs/dbraw/zinc/13/24/65/434132465.db2.gz ALUZDFIPZHCXLO-GOSISDBHSA-N 2 1 317.521 3.171 20 0 DGADMP C[C@@H]1CC[NH+](C)CCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353435940 434132471 /nfs/dbraw/zinc/13/24/71/434132471.db2.gz ALUZDFIPZHCXLO-GOSISDBHSA-N 2 1 317.521 3.171 20 0 DGADMP Fc1cccc(OCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422951413 434134210 /nfs/dbraw/zinc/13/42/10/434134210.db2.gz YLRMBCRFRXIINJ-MJGOQNOKSA-N 2 1 314.404 3.287 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc2c(c1)OCCO2 ZINC000422951343 434134798 /nfs/dbraw/zinc/13/47/98/434134798.db2.gz YEHGNSQTGRTFAD-LRDDRELGSA-N 2 1 313.401 3.067 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000340452293 434139206 /nfs/dbraw/zinc/13/92/06/434139206.db2.gz ZHQSIDLSTTVLCB-HNNXBMFYSA-N 2 1 311.429 3.102 20 0 DGADMP C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1c[nH+]ccc1N ZINC000422956218 434139213 /nfs/dbraw/zinc/13/92/13/434139213.db2.gz OSKOYKVTHVWAPM-CQSZACIVSA-N 2 1 322.412 3.162 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450230 434139376 /nfs/dbraw/zinc/13/93/76/434139376.db2.gz PWHMFFBABBCFSM-BMGDILEWSA-N 2 1 311.429 3.273 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450230 434139384 /nfs/dbraw/zinc/13/93/84/434139384.db2.gz PWHMFFBABBCFSM-BMGDILEWSA-N 2 1 311.429 3.273 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000353453200 434140927 /nfs/dbraw/zinc/14/09/27/434140927.db2.gz DYVGWYZWZQIFIK-KGLIPLIRSA-N 2 1 324.490 3.307 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)c2)cn1 ZINC000422968801 434142809 /nfs/dbraw/zinc/14/28/09/434142809.db2.gz XTGWVYZLIMMAOL-WOJBJXKFSA-N 2 1 318.424 3.322 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCO1 ZINC000422985034 434154045 /nfs/dbraw/zinc/15/40/45/434154045.db2.gz BUKLBCBWQXCPDV-MANSERQUSA-N 2 1 302.462 3.273 20 0 DGADMP N[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000422999658 434157997 /nfs/dbraw/zinc/15/79/97/434157997.db2.gz YDDBOJQVMBHQLO-PMACEKPBSA-N 2 1 322.456 3.032 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422997609 434158105 /nfs/dbraw/zinc/15/81/05/434158105.db2.gz ONXRSRCUDZPKHU-NCXUSEDFSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998419 434158571 /nfs/dbraw/zinc/15/85/71/434158571.db2.gz CQLKRFYNQQFMTF-PIKOESSRSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998419 434158581 /nfs/dbraw/zinc/15/85/81/434158581.db2.gz CQLKRFYNQQFMTF-PIKOESSRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998419 434158590 /nfs/dbraw/zinc/15/85/90/434158590.db2.gz CQLKRFYNQQFMTF-PIKOESSRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005120 434162234 /nfs/dbraw/zinc/16/22/34/434162234.db2.gz QUNXVRQQXDLUJU-GTAWCEEGSA-N 3 1 315.505 3.004 20 0 DGADMP COC(=O)c1csc([C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096143 434162358 /nfs/dbraw/zinc/16/23/58/434162358.db2.gz MYWAWZXUKLJGKR-ZIAGYGMSSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000286096143 434162370 /nfs/dbraw/zinc/16/23/70/434162370.db2.gz MYWAWZXUKLJGKR-ZIAGYGMSSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096143 434162382 /nfs/dbraw/zinc/16/23/82/434162382.db2.gz MYWAWZXUKLJGKR-ZIAGYGMSSA-N 2 1 324.490 3.306 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)([NH+](C)C)C1 ZINC000315787285 434171899 /nfs/dbraw/zinc/17/18/99/434171899.db2.gz FZUBAFKQZSJGPS-VDCDIQELSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1c[nH+]ccc1N ZINC000423028942 434173563 /nfs/dbraw/zinc/17/35/63/434173563.db2.gz UEYZFLDQJSHEMN-LLVKDONJSA-N 2 1 304.463 3.141 20 0 DGADMP C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1c[nH+]ccc1N ZINC000423028943 434174485 /nfs/dbraw/zinc/17/44/85/434174485.db2.gz UEYZFLDQJSHEMN-NSHDSACASA-N 2 1 304.463 3.141 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCO1 ZINC000423037696 434181549 /nfs/dbraw/zinc/18/15/49/434181549.db2.gz WQNZBBRSDBGBRM-ZAWLATJESA-N 2 1 302.462 3.275 20 0 DGADMP CC(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423047779 434188274 /nfs/dbraw/zinc/18/82/74/434188274.db2.gz GZAVSXNXTFZBRL-OTWHNJEPSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1cnn(-c2ccncc2NCc2cnc3cccc(C)n23)c1 ZINC000378449897 434188675 /nfs/dbraw/zinc/18/86/75/434188675.db2.gz HBAWGNONVGPMQT-UHFFFAOYSA-N 2 1 318.384 3.144 20 0 DGADMP CC(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423047780 434188881 /nfs/dbraw/zinc/18/88/81/434188881.db2.gz GZAVSXNXTFZBRL-QRVBRYPASA-N 2 1 302.462 3.057 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(C)c1 ZINC000353512010 434189962 /nfs/dbraw/zinc/18/99/62/434189962.db2.gz CHOZWBPFMBVMEN-OALUTQOASA-N 2 1 304.478 3.129 20 0 DGADMP C[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353518085 434191833 /nfs/dbraw/zinc/19/18/33/434191833.db2.gz KTKGGKGRIMXINL-MTFMMBMASA-N 2 1 316.489 3.038 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCO2 ZINC000423050504 434191979 /nfs/dbraw/zinc/19/19/79/434191979.db2.gz LWZOIRWRXQODLJ-HPBDAGMYSA-N 2 1 316.445 3.029 20 0 DGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000286200325 434196621 /nfs/dbraw/zinc/19/66/21/434196621.db2.gz RPOFBHFVKCESSX-MRXNPFEDSA-N 2 1 313.445 3.181 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470876 434206631 /nfs/dbraw/zinc/20/66/31/434206631.db2.gz JEVZGUCNPNJQCP-OAHLLOKOSA-N 2 1 306.425 3.062 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470876 434206652 /nfs/dbraw/zinc/20/66/52/434206652.db2.gz JEVZGUCNPNJQCP-OAHLLOKOSA-N 2 1 306.425 3.062 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470876 434206659 /nfs/dbraw/zinc/20/66/59/434206659.db2.gz JEVZGUCNPNJQCP-OAHLLOKOSA-N 2 1 306.425 3.062 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470876 434206666 /nfs/dbraw/zinc/20/66/66/434206666.db2.gz JEVZGUCNPNJQCP-OAHLLOKOSA-N 2 1 306.425 3.062 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450470876 434206675 /nfs/dbraw/zinc/20/66/75/434206675.db2.gz JEVZGUCNPNJQCP-OAHLLOKOSA-N 2 1 306.425 3.062 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000437086630 434210354 /nfs/dbraw/zinc/21/03/54/434210354.db2.gz LCNKXBDEYBEKPY-RYRKJORJSA-N 2 1 303.494 3.350 20 0 DGADMP C[C@@H]1CC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000423098762 434216846 /nfs/dbraw/zinc/21/68/46/434216846.db2.gz LHINRQQTPPNGAV-RGCFKVTRSA-N 2 1 302.462 3.273 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000319208910 434219586 /nfs/dbraw/zinc/21/95/86/434219586.db2.gz GELDHJJACGPMIH-OKILXGFUSA-N 2 1 317.458 3.143 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423012154 434168066 /nfs/dbraw/zinc/16/80/66/434168066.db2.gz KCXURSFKXZGHFS-GFCCVEGCSA-N 2 1 319.836 3.440 20 0 DGADMP c1sc(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320832156 434241128 /nfs/dbraw/zinc/24/11/28/434241128.db2.gz GBRWYSRJDZCLKK-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423141812 434241901 /nfs/dbraw/zinc/24/19/01/434241901.db2.gz RWIFHQJSPSCLRX-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423141810 434245961 /nfs/dbraw/zinc/24/59/61/434245961.db2.gz RWIFHQJSPSCLRX-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657658 434259685 /nfs/dbraw/zinc/25/96/85/434259685.db2.gz UFGZUPDIDYDVHV-UWJYYQICSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657658 434259692 /nfs/dbraw/zinc/25/96/92/434259692.db2.gz UFGZUPDIDYDVHV-UWJYYQICSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647914 434260918 /nfs/dbraw/zinc/26/09/18/434260918.db2.gz LIURXWHGKKCEBX-ZIFCJYIRSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1COc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000379647163 434261669 /nfs/dbraw/zinc/26/16/69/434261669.db2.gz JZRFZFDSEFYEFF-XLIONFOSSA-N 2 1 324.468 3.490 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000423167864 434262917 /nfs/dbraw/zinc/26/29/17/434262917.db2.gz FWNGCBHVHGWDQB-BEFAXECRSA-N 2 1 311.473 3.427 20 0 DGADMP C[C@@H](NCC1([NH3+])CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423188383 434272199 /nfs/dbraw/zinc/27/21/99/434272199.db2.gz YWEVHMUSIRFFIT-IEBWSBKVSA-N 2 1 315.505 3.148 20 0 DGADMP [O-]c1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000295246491 434274736 /nfs/dbraw/zinc/27/47/36/434274736.db2.gz FLOWYHZSGQDUIL-AWEZNQCLSA-N 2 1 308.853 3.353 20 0 DGADMP CC[C@@H](CCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286295120 434222404 /nfs/dbraw/zinc/22/24/04/434222404.db2.gz WKGPMVIYDQQLKL-KKXNLOMOSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@@H+](Cc1c(C)noc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000340592744 434231947 /nfs/dbraw/zinc/23/19/47/434231947.db2.gz AKOGJHFBAANVDI-UHFFFAOYSA-N 2 1 301.434 3.375 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000423131784 434238809 /nfs/dbraw/zinc/23/88/09/434238809.db2.gz OJNMHMJJUDVGPV-FCEWJHQRSA-N 2 1 305.510 3.347 20 0 DGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000353572640 434239068 /nfs/dbraw/zinc/23/90/68/434239068.db2.gz YNCKOPSCYJULOR-HZPDHXFCSA-N 2 1 322.493 3.262 20 0 DGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000353572640 434239078 /nfs/dbraw/zinc/23/90/78/434239078.db2.gz YNCKOPSCYJULOR-HZPDHXFCSA-N 2 1 322.493 3.262 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423200007 434281162 /nfs/dbraw/zinc/28/11/62/434281162.db2.gz LHYWGCDQOIXWOV-LBPRGKRZSA-N 2 1 306.841 3.094 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000423213502 434289663 /nfs/dbraw/zinc/28/96/63/434289663.db2.gz NHMJUYGKTPWBSV-QWRGUYRKSA-N 2 1 315.230 3.238 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c(C)c1OC ZINC000286738106 434290100 /nfs/dbraw/zinc/29/01/00/434290100.db2.gz HSLNMZFYSJDSLK-GJZGRUSLSA-N 2 1 306.450 3.147 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000384140549 434291606 /nfs/dbraw/zinc/29/16/06/434291606.db2.gz YXEIKELLOQTINQ-FQEVSTJZSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]CC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000437788203 434333496 /nfs/dbraw/zinc/33/34/96/434333496.db2.gz SREYXTFRORYIPN-YZGWKJHDSA-N 2 1 316.489 3.303 20 0 DGADMP CSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000358026422 434294254 /nfs/dbraw/zinc/29/42/54/434294254.db2.gz BKYXRGAYGALDCN-GVDBMIGSSA-N 2 1 320.502 3.092 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000384937382 434296374 /nfs/dbraw/zinc/29/63/74/434296374.db2.gz JKIWVIKRCAGEQG-LJQANCHMSA-N 2 1 309.457 3.392 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)CC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348392660 434299696 /nfs/dbraw/zinc/29/96/96/434299696.db2.gz PUCGNCJCAGPQND-PWIZWCRZSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CCCC[NH2+]1 ZINC000385994539 434301885 /nfs/dbraw/zinc/30/18/85/434301885.db2.gz FKIUWJQAFPWIMP-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000423253187 434315338 /nfs/dbraw/zinc/31/53/38/434315338.db2.gz VOGCVVPTVJRGBB-QHGAOEGBSA-N 3 1 315.505 3.019 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423260979 434318498 /nfs/dbraw/zinc/31/84/98/434318498.db2.gz RBQDRCDZIWROJG-RDJZCZTQSA-N 3 1 312.461 3.221 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000423259876 434320781 /nfs/dbraw/zinc/32/07/81/434320781.db2.gz FVWZHGKLUCQQGR-WCQYABFASA-N 2 1 316.392 3.321 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423259155 434321159 /nfs/dbraw/zinc/32/11/59/434321159.db2.gz DCJYLXFUTSHPNR-LSTHTHJFSA-N 2 1 315.505 3.004 20 0 DGADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312736 434323516 /nfs/dbraw/zinc/32/35/16/434323516.db2.gz BOSNCIXYLFNNCL-RTBURBONSA-N 2 1 315.505 3.148 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312736 434323528 /nfs/dbraw/zinc/32/35/28/434323528.db2.gz BOSNCIXYLFNNCL-RTBURBONSA-N 2 1 315.505 3.148 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Br ZINC000423264469 434324137 /nfs/dbraw/zinc/32/41/37/434324137.db2.gz BZVWGVUHTRNRMW-GWCFXTLKSA-N 2 1 315.255 3.092 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423265671 434325055 /nfs/dbraw/zinc/32/50/55/434325055.db2.gz RCRBLJCIJDSCPF-YOEHRIQHSA-N 2 1 320.481 3.241 20 0 DGADMP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000388343520 434330205 /nfs/dbraw/zinc/33/02/05/434330205.db2.gz KSQRYOCIVYNVLI-OXQOHEQNSA-N 2 1 316.489 3.097 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC000358101650 434332505 /nfs/dbraw/zinc/33/25/05/434332505.db2.gz SVVPVPLBDWOEHW-CMPLNLGQSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC000358101650 434332512 /nfs/dbraw/zinc/33/25/12/434332512.db2.gz SVVPVPLBDWOEHW-CMPLNLGQSA-N 2 1 317.296 3.331 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000353677927 434332749 /nfs/dbraw/zinc/33/27/49/434332749.db2.gz CLCPPLGYVJQHTC-ZDUSSCGKSA-N 2 1 324.490 3.307 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423340906 434368741 /nfs/dbraw/zinc/36/87/41/434368741.db2.gz VZENLSYOBWILLG-WFASDCNBSA-N 2 1 311.267 3.489 20 0 DGADMP C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390811951 434371697 /nfs/dbraw/zinc/37/16/97/434371697.db2.gz WPHKMYGBUGOJOJ-ZFWWWQNUSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423346297 434375207 /nfs/dbraw/zinc/37/52/07/434375207.db2.gz ZSFIDOQWXOSWQZ-FUHWJXTLSA-N 2 1 323.525 3.055 20 0 DGADMP CCc1cccc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000353738240 434378634 /nfs/dbraw/zinc/37/86/34/434378634.db2.gz MZEPCBMJCVHILK-MRXNPFEDSA-N 2 1 324.896 3.229 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1sccc1Br ZINC000392278016 434386201 /nfs/dbraw/zinc/38/62/01/434386201.db2.gz DROCNKGVGWPMHP-JTQLQIEISA-N 2 1 315.280 3.423 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745202 434386883 /nfs/dbraw/zinc/38/68/83/434386883.db2.gz HSXIVUFRBDAZSP-CRAIPNDOSA-N 2 1 300.446 3.267 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745202 434386893 /nfs/dbraw/zinc/38/68/93/434386893.db2.gz HSXIVUFRBDAZSP-CRAIPNDOSA-N 2 1 300.446 3.267 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745202 434386899 /nfs/dbraw/zinc/38/68/99/434386899.db2.gz HSXIVUFRBDAZSP-CRAIPNDOSA-N 2 1 300.446 3.267 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745202 434386908 /nfs/dbraw/zinc/38/69/08/434386908.db2.gz HSXIVUFRBDAZSP-CRAIPNDOSA-N 2 1 300.446 3.267 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000423370478 434387152 /nfs/dbraw/zinc/38/71/52/434387152.db2.gz GTWBAKQALZNQRV-UGFHNGPFSA-N 2 1 316.367 3.123 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423366488 434387783 /nfs/dbraw/zinc/38/77/83/434387783.db2.gz LQMGSWDPCXNOGF-SOAISFHBSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423378909 434389676 /nfs/dbraw/zinc/38/96/76/434389676.db2.gz WZFXUFOAOSYCRN-KBPBESRZSA-N 2 1 302.393 3.403 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423279852 434340800 /nfs/dbraw/zinc/34/08/00/434340800.db2.gz RWLDIOSQIVRVQU-YJLNNSPDSA-N 3 1 312.461 3.349 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423289175 434346612 /nfs/dbraw/zinc/34/66/12/434346612.db2.gz WKDCAJCWVNGIOR-INIZCTEOSA-N 2 1 303.837 3.346 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(F)cn1 ZINC000423295185 434346717 /nfs/dbraw/zinc/34/67/17/434346717.db2.gz WIWUGHQUZZNKTO-RYUDHWBXSA-N 2 1 303.381 3.100 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423289110 434347155 /nfs/dbraw/zinc/34/71/55/434347155.db2.gz WFTYFHXXFFAFEV-CYBMUJFWSA-N 2 1 318.465 3.139 20 0 DGADMP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287391985 434348373 /nfs/dbraw/zinc/34/83/73/434348373.db2.gz ISNPFMVMOOVPSC-FZCLSBEQSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287392007 434349098 /nfs/dbraw/zinc/34/90/98/434349098.db2.gz ISNPFMVMOOVPSC-LMSBXDPUSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000389850974 434354011 /nfs/dbraw/zinc/35/40/11/434354011.db2.gz VJEIJXAQNVTCIW-QAJUQPOASA-N 2 1 321.468 3.241 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851277 434354416 /nfs/dbraw/zinc/35/44/16/434354416.db2.gz OKAORLLUJXAUMB-WBVHZDCISA-N 2 1 323.525 3.066 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000450762004 434395218 /nfs/dbraw/zinc/39/52/18/434395218.db2.gz SAPJANCXUKMMAM-JYJNAYRXSA-N 2 1 318.452 3.148 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)C1 ZINC000438085511 434400649 /nfs/dbraw/zinc/40/06/49/434400649.db2.gz CGHDNDFYFXNWOP-PXNSSMCTSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000358659507 434401917 /nfs/dbraw/zinc/40/19/17/434401917.db2.gz FMGUCVYYEYDKOK-JFRXWTBNSA-N 2 1 307.526 3.102 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752302 434403085 /nfs/dbraw/zinc/40/30/85/434403085.db2.gz RZROOEOSIRHDQC-NVXWUHKLSA-N 2 1 318.461 3.153 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394412738 434403726 /nfs/dbraw/zinc/40/37/26/434403726.db2.gz ISZSXOQJULZZFV-VQIMIIECSA-N 2 1 310.441 3.435 20 0 DGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423400136 434408034 /nfs/dbraw/zinc/40/80/34/434408034.db2.gz WSIMJRBVUOVPIJ-BPQIPLTHSA-N 2 1 301.478 3.476 20 0 DGADMP COC[C@@]1(C[NH2+][C@H](C)c2cc3ccccc3s2)CCC[NH2+]1 ZINC000423409280 434409027 /nfs/dbraw/zinc/40/90/27/434409027.db2.gz BOLKIMADTBVPEF-DYVFJYSZSA-N 2 1 304.459 3.321 20 0 DGADMP COC[C@@]1(C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)CCC[NH2+]1 ZINC000423415440 434409847 /nfs/dbraw/zinc/40/98/47/434409847.db2.gz PBPWOHLECPHHQN-OALUTQOASA-N 2 1 302.462 3.194 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H](C)C[NH+]2CCCCC2)c2ccccn21 ZINC000519830186 294800463 /nfs/dbraw/zinc/80/04/63/294800463.db2.gz UHHBLXKESJESII-INIZCTEOSA-N 2 1 314.477 3.422 20 0 DGADMP CC[N@H+]1CC[C@H](CN[C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626631 434411029 /nfs/dbraw/zinc/41/10/29/434411029.db2.gz KBCWUJGPXDVNHW-DOMZBBRYSA-N 2 1 314.832 3.098 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@H]1C ZINC000353764818 434413266 /nfs/dbraw/zinc/41/32/66/434413266.db2.gz ALUVJRUVLLCWPY-CJNGLKHVSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@H]1C ZINC000353764818 434413272 /nfs/dbraw/zinc/41/32/72/434413272.db2.gz ALUVJRUVLLCWPY-CJNGLKHVSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@H]1C ZINC000353764818 434413279 /nfs/dbraw/zinc/41/32/79/434413279.db2.gz ALUVJRUVLLCWPY-CJNGLKHVSA-N 2 1 316.449 3.283 20 0 DGADMP Clc1ccc(C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423441071 434425806 /nfs/dbraw/zinc/42/58/06/434425806.db2.gz UCXCODONGCBOIB-ZSYWTGECSA-N 2 1 312.844 3.431 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000396882019 434427532 /nfs/dbraw/zinc/42/75/32/434427532.db2.gz LLHJPODEZYBQMG-NXHRZFHOSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000396882019 434427538 /nfs/dbraw/zinc/42/75/38/434427538.db2.gz LLHJPODEZYBQMG-NXHRZFHOSA-N 2 1 302.462 3.197 20 0 DGADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423446389 434428236 /nfs/dbraw/zinc/42/82/36/434428236.db2.gz YSIUFLQWRXLGSU-IDCXYZFESA-N 2 1 322.452 3.442 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C[NH3+] ZINC000397411465 434438395 /nfs/dbraw/zinc/43/83/95/434438395.db2.gz QZDHZXBLENJZIO-NFAWXSAZSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C[NH3+] ZINC000397411465 434438400 /nfs/dbraw/zinc/43/84/00/434438400.db2.gz QZDHZXBLENJZIO-NFAWXSAZSA-N 2 1 317.408 3.286 20 0 DGADMP OCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000287736438 434439501 /nfs/dbraw/zinc/43/95/01/434439501.db2.gz YQAHVWRXLFREHM-HSALFYBXSA-N 2 1 316.489 3.039 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359972262 434458856 /nfs/dbraw/zinc/45/88/56/434458856.db2.gz VNBXDEXKQZPHDP-RTBURBONSA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359972262 434458865 /nfs/dbraw/zinc/45/88/65/434458865.db2.gz VNBXDEXKQZPHDP-RTBURBONSA-N 2 1 300.446 3.192 20 0 DGADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423500938 434458992 /nfs/dbraw/zinc/45/89/92/434458992.db2.gz DJCYMHVQXZTBDL-QFBILLFUSA-N 2 1 320.477 3.285 20 0 DGADMP COC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(Cl)c1F ZINC000287866442 434467448 /nfs/dbraw/zinc/46/74/48/434467448.db2.gz XROZXFAUHNGITF-OAHLLOKOSA-N 2 1 312.816 3.018 20 0 DGADMP COC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000287866442 434467462 /nfs/dbraw/zinc/46/74/62/434467462.db2.gz XROZXFAUHNGITF-OAHLLOKOSA-N 2 1 312.816 3.018 20 0 DGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423527392 434478189 /nfs/dbraw/zinc/47/81/89/434478189.db2.gz VSYUECBLBJXIMX-QFBILLFUSA-N 2 1 320.477 3.141 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)on1 ZINC000348757999 434480082 /nfs/dbraw/zinc/48/00/82/434480082.db2.gz ZUEWBWPDGQIUKC-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000423533256 434480179 /nfs/dbraw/zinc/48/01/79/434480179.db2.gz STKGYVYQQBUXDJ-FYZZASKESA-N 2 1 321.468 3.453 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423533903 434480673 /nfs/dbraw/zinc/48/06/73/434480673.db2.gz UQJVEDFLSJYNKV-BBRMVZONSA-N 2 1 306.450 3.180 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423533906 434482651 /nfs/dbraw/zinc/48/26/51/434482651.db2.gz UQJVEDFLSJYNKV-XJKSGUPXSA-N 2 1 306.450 3.180 20 0 DGADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423571948 434491661 /nfs/dbraw/zinc/49/16/61/434491661.db2.gz YAEJRNQWYDPXBQ-CQSZACIVSA-N 2 1 313.367 3.210 20 0 DGADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400736803 434491867 /nfs/dbraw/zinc/49/18/67/434491867.db2.gz RWIFHQJSPSCLRX-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844867 434500413 /nfs/dbraw/zinc/50/04/13/434500413.db2.gz UGTGICGRTMTPGO-NJAFHUGGSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844867 434500420 /nfs/dbraw/zinc/50/04/20/434500420.db2.gz UGTGICGRTMTPGO-NJAFHUGGSA-N 2 1 302.462 3.054 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(c3ccc(F)cc3)C2)s1 ZINC000353817068 434454851 /nfs/dbraw/zinc/45/48/51/434454851.db2.gz SIENFYIKRCPXFT-UHFFFAOYSA-N 2 1 319.449 3.380 20 0 DGADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000348710616 434455401 /nfs/dbraw/zinc/45/54/01/434455401.db2.gz OXSIDDXBGKNTST-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000348710616 434455407 /nfs/dbraw/zinc/45/54/07/434455407.db2.gz OXSIDDXBGKNTST-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@@H]1CCCOC1 ZINC000348710616 434455415 /nfs/dbraw/zinc/45/54/15/434455415.db2.gz OXSIDDXBGKNTST-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000348710616 434455424 /nfs/dbraw/zinc/45/54/24/434455424.db2.gz OXSIDDXBGKNTST-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398177196 434456584 /nfs/dbraw/zinc/45/65/84/434456584.db2.gz JDDAKHGOJQYJHT-AFYVEPGGSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398177196 434456597 /nfs/dbraw/zinc/45/65/97/434456597.db2.gz JDDAKHGOJQYJHT-AFYVEPGGSA-N 2 1 316.489 3.444 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359972261 434456944 /nfs/dbraw/zinc/45/69/44/434456944.db2.gz VNBXDEXKQZPHDP-RBUKOAKNSA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359972261 434456955 /nfs/dbraw/zinc/45/69/55/434456955.db2.gz VNBXDEXKQZPHDP-RBUKOAKNSA-N 2 1 300.446 3.192 20 0 DGADMP C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC1CCOCC1 ZINC000366855181 434524268 /nfs/dbraw/zinc/52/42/68/434524268.db2.gz WEVAGUOYXZQGLY-IBGZPJMESA-N 2 1 308.510 3.391 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000353929638 434530917 /nfs/dbraw/zinc/53/09/17/434530917.db2.gz DZLJPIGOEMVSCK-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000353945181 434538366 /nfs/dbraw/zinc/53/83/66/434538366.db2.gz OEARMUAASSJFFH-LRYGQEGESA-N 2 1 324.509 3.353 20 0 DGADMP Cc1cc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000353948585 434542345 /nfs/dbraw/zinc/54/23/45/434542345.db2.gz VWONJFFFXJHGRC-CQSZACIVSA-N 2 1 310.401 3.370 20 0 DGADMP COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663945 295111953 /nfs/dbraw/zinc/11/19/53/295111953.db2.gz ARDWFMIZVVOWOK-RISCZKNCSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663945 295111957 /nfs/dbraw/zinc/11/19/57/295111957.db2.gz ARDWFMIZVVOWOK-RISCZKNCSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663945 295111959 /nfs/dbraw/zinc/11/19/59/295111959.db2.gz ARDWFMIZVVOWOK-RISCZKNCSA-N 2 1 316.367 3.286 20 0 DGADMP COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(OC)c1 ZINC000303988202 295126477 /nfs/dbraw/zinc/12/64/77/295126477.db2.gz NBYAAQYEBWPWAS-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(OC)c1 ZINC000303988202 295126480 /nfs/dbraw/zinc/12/64/80/295126480.db2.gz NBYAAQYEBWPWAS-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP Cc1cccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)c1 ZINC000527893003 295146030 /nfs/dbraw/zinc/14/60/30/295146030.db2.gz JLQRZPHIBYKWJJ-LJQANCHMSA-N 2 1 317.521 3.308 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000527941676 295154526 /nfs/dbraw/zinc/15/45/26/295154526.db2.gz HRVIFRDLSCNMPV-DFPROOQHSA-N 2 1 304.865 3.296 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527996647 295162026 /nfs/dbraw/zinc/16/20/26/295162026.db2.gz PXEUIXFHGMWBSY-YVEFUNNKSA-N 2 1 303.425 3.088 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000125104255 295215424 /nfs/dbraw/zinc/21/54/24/295215424.db2.gz IUTSRJDEDKZMJK-IBGZPJMESA-N 2 1 300.446 3.363 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000420305321 295241116 /nfs/dbraw/zinc/24/11/16/295241116.db2.gz PKMJRYSWNCUWQV-QGZVFWFLSA-N 2 1 302.462 3.394 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC12CCOCC2 ZINC000420322351 295260392 /nfs/dbraw/zinc/26/03/92/295260392.db2.gz DUUQLQOZCOSWLL-CXAGYDPISA-N 2 1 320.864 3.015 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414185473 295271551 /nfs/dbraw/zinc/27/15/51/295271551.db2.gz OPTIQQKQVQKVPD-YJBOKZPZSA-N 2 1 318.461 3.230 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000414180545 295301324 /nfs/dbraw/zinc/30/13/24/295301324.db2.gz LMONVRNDWLUVMI-JXFKEZNVSA-N 2 1 316.489 3.338 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000354100584 434619231 /nfs/dbraw/zinc/61/92/31/434619231.db2.gz NHLLEIDJJCBKLS-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000360604313 434645402 /nfs/dbraw/zinc/64/54/02/434645402.db2.gz KLEJLYWCYIMJTF-CEXWTWQISA-N 2 1 302.462 3.059 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000354123864 434631742 /nfs/dbraw/zinc/63/17/42/434631742.db2.gz DEBYCFATGVJEOI-INIZCTEOSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354154957 434644022 /nfs/dbraw/zinc/64/40/22/434644022.db2.gz GFZBFUDRNMXLLG-OHSMVPPVSA-N 2 1 315.505 3.112 20 0 DGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424322382 434696473 /nfs/dbraw/zinc/69/64/73/434696473.db2.gz JRPYZBKUQQMQBV-GJZGRUSLSA-N 2 1 312.498 3.064 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360617128 434650064 /nfs/dbraw/zinc/65/00/64/434650064.db2.gz VSGZBJJAIWREFE-BZUAXINKSA-N 2 1 312.461 3.100 20 0 DGADMP CC(C)CCn1cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354176409 434655405 /nfs/dbraw/zinc/65/54/05/434655405.db2.gz KNZSTMKGOQOLAR-LJQANCHMSA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354176409 434655410 /nfs/dbraw/zinc/65/54/10/434655410.db2.gz KNZSTMKGOQOLAR-LJQANCHMSA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354176409 434655417 /nfs/dbraw/zinc/65/54/17/434655417.db2.gz KNZSTMKGOQOLAR-LJQANCHMSA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354176409 434655422 /nfs/dbraw/zinc/65/54/22/434655422.db2.gz KNZSTMKGOQOLAR-LJQANCHMSA-N 2 1 303.494 3.452 20 0 DGADMP COC(=O)C(C)(C)CC[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000354179330 434660495 /nfs/dbraw/zinc/66/04/95/434660495.db2.gz CDHUDBUGIOMGKV-UHFFFAOYSA-N 2 1 320.477 3.206 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424264717 434668916 /nfs/dbraw/zinc/66/89/16/434668916.db2.gz UPDDGHBBEIYJIZ-MRXNPFEDSA-N 2 1 301.459 3.111 20 0 DGADMP Cn1c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nc2cc(Cl)ccc21 ZINC000459723789 434675956 /nfs/dbraw/zinc/67/59/56/434675956.db2.gz CWJPGUNTFOAXNY-ZDUSSCGKSA-N 2 1 320.868 3.048 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1O ZINC000360713509 434676634 /nfs/dbraw/zinc/67/66/34/434676634.db2.gz MFVKEKFYCMCWGD-IYBDPMFKSA-N 2 1 320.477 3.249 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1O ZINC000360713509 434676638 /nfs/dbraw/zinc/67/66/38/434676638.db2.gz MFVKEKFYCMCWGD-IYBDPMFKSA-N 2 1 320.477 3.249 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459724414 434677498 /nfs/dbraw/zinc/67/74/98/434677498.db2.gz DKPFFOGVOBYVJQ-APWZRJJASA-N 2 1 322.468 3.095 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccoc3)n1)CC[NH2+]CC2 ZINC000424292046 434680430 /nfs/dbraw/zinc/68/04/30/434680430.db2.gz NYFTZZCLQYISPQ-ZDUSSCGKSA-N 2 1 317.458 3.367 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459735030 434683346 /nfs/dbraw/zinc/68/33/46/434683346.db2.gz PJACJGUEKNBMNS-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000459733066 434683911 /nfs/dbraw/zinc/68/39/11/434683911.db2.gz NCIVLWWLDRIPLT-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(-c3ccccc3)o1)CC[NH2+]CC2 ZINC000424296645 434684160 /nfs/dbraw/zinc/68/41/60/434684160.db2.gz SDBIGTSMIUIHEB-OAHLLOKOSA-N 2 1 311.429 3.306 20 0 DGADMP C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411249583 434748912 /nfs/dbraw/zinc/74/89/12/434748912.db2.gz DFYNFNYYEQGRBP-YLJYHZDGSA-N 2 1 316.489 3.408 20 0 DGADMP CC[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411268341 434751792 /nfs/dbraw/zinc/75/17/92/434751792.db2.gz FWKNGSZKOHBDPM-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000411284038 434753970 /nfs/dbraw/zinc/75/39/70/434753970.db2.gz MKKIKRCSQVEDGZ-KRWDZBQOSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000411284038 434753972 /nfs/dbraw/zinc/75/39/72/434753972.db2.gz MKKIKRCSQVEDGZ-KRWDZBQOSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459773662 434714095 /nfs/dbraw/zinc/71/40/95/434714095.db2.gz ISZUCZJRDJUGJV-JKSUJKDBSA-N 2 1 314.477 3.206 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000459797474 434723976 /nfs/dbraw/zinc/72/39/76/434723976.db2.gz WSCVZMVFXVETEU-GFCCVEGCSA-N 2 1 307.438 3.257 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000459796013 434724652 /nfs/dbraw/zinc/72/46/52/434724652.db2.gz VWDKTDABHPUERE-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459799660 434725030 /nfs/dbraw/zinc/72/50/30/434725030.db2.gz YUHUXZMMEOFJJB-OKZBNKHCSA-N 2 1 324.509 3.210 20 0 DGADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1C(C)(C)C1(C)C ZINC000354347056 434729794 /nfs/dbraw/zinc/72/97/94/434729794.db2.gz JFGQGFFMARQFPQ-HNNXBMFYSA-N 2 1 308.510 3.292 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411160379 434735833 /nfs/dbraw/zinc/73/58/33/434735833.db2.gz BZLIZUNUVOTZIT-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411160379 434735839 /nfs/dbraw/zinc/73/58/39/434735839.db2.gz BZLIZUNUVOTZIT-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000360988291 434756152 /nfs/dbraw/zinc/75/61/52/434756152.db2.gz YBCSRHYGIQZDBK-INIZCTEOSA-N 2 1 306.498 3.374 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000411307877 434761270 /nfs/dbraw/zinc/76/12/70/434761270.db2.gz IJHBPMXFARUQHG-HKUYNNGSSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000411307877 434761274 /nfs/dbraw/zinc/76/12/74/434761274.db2.gz IJHBPMXFARUQHG-HKUYNNGSSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307877 434761279 /nfs/dbraw/zinc/76/12/79/434761279.db2.gz IJHBPMXFARUQHG-HKUYNNGSSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307877 434761283 /nfs/dbraw/zinc/76/12/83/434761283.db2.gz IJHBPMXFARUQHG-HKUYNNGSSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442890168 434774070 /nfs/dbraw/zinc/77/40/70/434774070.db2.gz NNMJRFAQNCMIFM-QYZOEREBSA-N 2 1 321.553 3.351 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000411406623 434774743 /nfs/dbraw/zinc/77/47/43/434774743.db2.gz JSUATBYIQSJZFB-PMACEKPBSA-N 2 1 316.489 3.265 20 0 DGADMP COC1(C(F)(F)F)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000419352357 434776633 /nfs/dbraw/zinc/77/66/33/434776633.db2.gz PHYMZOHJFZWQJS-UHFFFAOYSA-N 2 1 319.371 3.015 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000414685643 297249064 /nfs/dbraw/zinc/24/90/64/297249064.db2.gz DCJOEZAXCZEEQZ-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453061438 434788742 /nfs/dbraw/zinc/78/87/42/434788742.db2.gz BMROLSSFZVEAFT-ZGXWSNOMSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422888213 297358223 /nfs/dbraw/zinc/35/82/23/297358223.db2.gz CDHLILIEZCSUGB-GJJHYRHESA-N 2 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000414685645 297396393 /nfs/dbraw/zinc/39/63/93/297396393.db2.gz DCJOEZAXCZEEQZ-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000361077003 434790687 /nfs/dbraw/zinc/79/06/87/434790687.db2.gz XWRWKAROCFNTNT-QKMNUUQDSA-N 2 1 315.505 3.140 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000361077003 434790701 /nfs/dbraw/zinc/79/07/01/434790701.db2.gz XWRWKAROCFNTNT-QKMNUUQDSA-N 2 1 315.505 3.140 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453125654 434810147 /nfs/dbraw/zinc/81/01/47/434810147.db2.gz JPQRVZHYSSBATP-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453141878 434813820 /nfs/dbraw/zinc/81/38/20/434813820.db2.gz OQZXOUQMOAYWJL-IPMKNSEASA-N 2 1 316.489 3.444 20 0 DGADMP c1ncc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000411660491 434815282 /nfs/dbraw/zinc/81/52/82/434815282.db2.gz ALAXHUOURKFTSO-UHFFFAOYSA-N 2 1 316.474 3.098 20 0 DGADMP O[C@]1(C2CC2)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411699757 434819249 /nfs/dbraw/zinc/81/92/49/434819249.db2.gz UUGDNZBEEHZBFD-HXUWFJFHSA-N 2 1 314.473 3.019 20 0 DGADMP c1cc2c(s1)CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361173590 434820564 /nfs/dbraw/zinc/82/05/64/434820564.db2.gz JHVBBYYSXNAZHF-MRXNPFEDSA-N 2 1 320.502 3.360 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000411723117 434822302 /nfs/dbraw/zinc/82/23/02/434822302.db2.gz WNVQCTAFDZIKSA-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000372493948 434834883 /nfs/dbraw/zinc/83/48/83/434834883.db2.gz XJAZPWRUQSRZCT-DABHTEOTSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000372493948 434834885 /nfs/dbraw/zinc/83/48/85/434834885.db2.gz XJAZPWRUQSRZCT-DABHTEOTSA-N 2 1 314.473 3.054 20 0 DGADMP OCCC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411859035 434836286 /nfs/dbraw/zinc/83/62/86/434836286.db2.gz DDLRCAVTAIFAEY-SFHVURJKSA-N 2 1 316.489 3.267 20 0 DGADMP C[C@@H](c1cccnc1)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524234 434837311 /nfs/dbraw/zinc/83/73/11/434837311.db2.gz UMXDVOKIEIKWDY-SNRMKQJTSA-N 2 1 310.445 3.162 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411986374 434850765 /nfs/dbraw/zinc/85/07/65/434850765.db2.gz RBDWRWNBVSSKLM-MJGOQNOKSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411986374 434850768 /nfs/dbraw/zinc/85/07/68/434850768.db2.gz RBDWRWNBVSSKLM-MJGOQNOKSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411986374 434850772 /nfs/dbraw/zinc/85/07/72/434850772.db2.gz RBDWRWNBVSSKLM-MJGOQNOKSA-N 2 1 302.462 3.404 20 0 DGADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000573127175 434876634 /nfs/dbraw/zinc/87/66/34/434876634.db2.gz VLUJZASYTBDFNL-WOJBJXKFSA-N 2 1 315.505 3.288 20 0 DGADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000573212131 434882015 /nfs/dbraw/zinc/88/20/15/434882015.db2.gz KOFCNRIFDJWAPT-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000521597328 434888714 /nfs/dbraw/zinc/88/87/14/434888714.db2.gz YBWQGJSMPIDFMF-BPQIPLTHSA-N 2 1 302.462 3.164 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335332 434892628 /nfs/dbraw/zinc/89/26/28/434892628.db2.gz OGJJEFUICZYYIT-QZTJIDSGSA-N 2 1 319.493 3.412 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335332 434892633 /nfs/dbraw/zinc/89/26/33/434892633.db2.gz OGJJEFUICZYYIT-QZTJIDSGSA-N 2 1 319.493 3.412 20 0 DGADMP [NH3+]C1(CC(=O)Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637869676 434895899 /nfs/dbraw/zinc/89/58/99/434895899.db2.gz SXDCNKKOWCYLOY-UHFFFAOYSA-N 2 1 323.440 3.009 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000521862477 434898494 /nfs/dbraw/zinc/89/84/94/434898494.db2.gz BRUUXPFVMDIONX-QUCCMNQESA-N 2 1 318.505 3.224 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000462113479 434900367 /nfs/dbraw/zinc/90/03/67/434900367.db2.gz WWLJFDXFCBWKOD-MJGOQNOKSA-N 3 1 309.542 3.351 20 0 DGADMP Cc1ccc(C(=O)C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000522001405 434904758 /nfs/dbraw/zinc/90/47/58/434904758.db2.gz HSDFFPZWPPZRLU-KRWDZBQOSA-N 2 1 314.473 3.198 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccnn2CC2CCC2)CC1 ZINC000637957920 434916945 /nfs/dbraw/zinc/91/69/45/434916945.db2.gz LOLDYDGOZOZJAD-UHFFFAOYSA-N 2 1 318.509 3.235 20 0 DGADMP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412080424 434864708 /nfs/dbraw/zinc/86/47/08/434864708.db2.gz LQQXGYUYTKSZNX-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP CC(C)[C@@H](CO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000573073835 434872054 /nfs/dbraw/zinc/87/20/54/434872054.db2.gz IECWCYZGEWJWFP-XEVCZEQESA-N 2 1 318.505 3.284 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)CC2 ZINC000638115463 434954259 /nfs/dbraw/zinc/95/42/59/434954259.db2.gz CRDMBPNBKUKLBY-FRFSOERESA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)CC2 ZINC000638115463 434954261 /nfs/dbraw/zinc/95/42/61/434954261.db2.gz CRDMBPNBKUKLBY-FRFSOERESA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000638115463 434954265 /nfs/dbraw/zinc/95/42/65/434954265.db2.gz CRDMBPNBKUKLBY-FRFSOERESA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000638115463 434954267 /nfs/dbraw/zinc/95/42/67/434954267.db2.gz CRDMBPNBKUKLBY-FRFSOERESA-N 2 1 318.461 3.106 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000554992464 434956921 /nfs/dbraw/zinc/95/69/21/434956921.db2.gz FRIMFMZVNDCJFO-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000554992464 434956923 /nfs/dbraw/zinc/95/69/23/434956923.db2.gz FRIMFMZVNDCJFO-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP Cc1scc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000638184198 434973716 /nfs/dbraw/zinc/97/37/16/434973716.db2.gz XYBPWNRJBCFJDV-IXDOHACOSA-N 2 1 308.491 3.048 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000556868060 435033500 /nfs/dbraw/zinc/03/35/00/435033500.db2.gz GGULHGQKTYAGMR-LSDHHAIUSA-N 2 1 306.450 3.005 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408418 435022816 /nfs/dbraw/zinc/02/28/16/435022816.db2.gz HGOSZNDIYYYZQG-CMKODMSKSA-N 2 1 313.489 3.038 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408418 435022819 /nfs/dbraw/zinc/02/28/19/435022819.db2.gz HGOSZNDIYYYZQG-CMKODMSKSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408418 435022822 /nfs/dbraw/zinc/02/28/22/435022822.db2.gz HGOSZNDIYYYZQG-CMKODMSKSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408418 435022826 /nfs/dbraw/zinc/02/28/26/435022826.db2.gz HGOSZNDIYYYZQG-CMKODMSKSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](CO)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638415281 435024797 /nfs/dbraw/zinc/02/47/97/435024797.db2.gz GOPAUOIRQSHUTF-FXAWDEMLSA-N 2 1 318.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638409862 435025445 /nfs/dbraw/zinc/02/54/45/435025445.db2.gz QYYBPJDDGGAPRU-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638409862 435025449 /nfs/dbraw/zinc/02/54/49/435025449.db2.gz QYYBPJDDGGAPRU-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP CC[C@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)OC ZINC000638419279 435027887 /nfs/dbraw/zinc/02/78/87/435027887.db2.gz GGBSMOXKRPLBRN-QGZVFWFLSA-N 2 1 305.397 3.225 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000555533254 434977266 /nfs/dbraw/zinc/97/72/66/434977266.db2.gz DHGJRHXNFHQSOF-KZNAEPCWSA-N 2 1 324.509 3.210 20 0 DGADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000574629871 434991956 /nfs/dbraw/zinc/99/19/56/434991956.db2.gz AHMQNMUHCSCQDO-PKOBYXMFSA-N 2 1 303.494 3.017 20 0 DGADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556062612 434994913 /nfs/dbraw/zinc/99/49/13/434994913.db2.gz VMPNOBFGGXQGLS-MOPGFXCFSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556062612 434994916 /nfs/dbraw/zinc/99/49/16/434994916.db2.gz VMPNOBFGGXQGLS-MOPGFXCFSA-N 2 1 304.478 3.474 20 0 DGADMP CCCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000574726003 434999397 /nfs/dbraw/zinc/99/93/97/434999397.db2.gz RUKHZMOEOYUHSO-PMACEKPBSA-N 2 1 318.505 3.381 20 0 DGADMP CCCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000574726003 434999403 /nfs/dbraw/zinc/99/94/03/434999403.db2.gz RUKHZMOEOYUHSO-PMACEKPBSA-N 2 1 318.505 3.381 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000464791185 435001503 /nfs/dbraw/zinc/00/15/03/435001503.db2.gz SRUFYUWRYMKSGS-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000464791185 435001507 /nfs/dbraw/zinc/00/15/07/435001507.db2.gz SRUFYUWRYMKSGS-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464791185 435001512 /nfs/dbraw/zinc/00/15/12/435001512.db2.gz SRUFYUWRYMKSGS-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464791185 435001516 /nfs/dbraw/zinc/00/15/16/435001516.db2.gz SRUFYUWRYMKSGS-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP c1cnn(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638346663 435010057 /nfs/dbraw/zinc/01/00/57/435010057.db2.gz YXAUZNKNBKUVOO-UYAOXDASSA-N 2 1 324.472 3.231 20 0 DGADMP c1cnn(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638346663 435010062 /nfs/dbraw/zinc/01/00/62/435010062.db2.gz YXAUZNKNBKUVOO-UYAOXDASSA-N 2 1 324.472 3.231 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOC1 ZINC000638614109 435058535 /nfs/dbraw/zinc/05/85/35/435058535.db2.gz QLLFMMXZWOJLSI-MISYRCLQSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOC1 ZINC000638614109 435058541 /nfs/dbraw/zinc/05/85/41/435058541.db2.gz QLLFMMXZWOJLSI-MISYRCLQSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638627678 435060928 /nfs/dbraw/zinc/06/09/28/435060928.db2.gz SVTWTIMZAYWFCU-DFQSSKMNSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638627678 435060933 /nfs/dbraw/zinc/06/09/33/435060933.db2.gz SVTWTIMZAYWFCU-DFQSSKMNSA-N 2 1 316.489 3.351 20 0 DGADMP CCc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000530961129 435061748 /nfs/dbraw/zinc/06/17/48/435061748.db2.gz ZQBKYLUDDUOQNW-GASCZTMLSA-N 2 1 310.507 3.290 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638672707 435066965 /nfs/dbraw/zinc/06/69/65/435066965.db2.gz HXSSLSYTOZMOCG-ZIFCJYIRSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638672707 435066970 /nfs/dbraw/zinc/06/69/70/435066970.db2.gz HXSSLSYTOZMOCG-ZIFCJYIRSA-N 2 1 302.462 3.369 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCSC3)CC[N@H+]2C2CC2)cc1 ZINC000638714565 435074541 /nfs/dbraw/zinc/07/45/41/435074541.db2.gz HCZYIHUWNQBLNC-RYRKJORJSA-N 2 1 302.487 3.450 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCSC3)CC[N@@H+]2C2CC2)cc1 ZINC000638714565 435074544 /nfs/dbraw/zinc/07/45/44/435074544.db2.gz HCZYIHUWNQBLNC-RYRKJORJSA-N 2 1 302.487 3.450 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(OC)c2)C[C@H]1C ZINC000531140231 435074898 /nfs/dbraw/zinc/07/48/98/435074898.db2.gz KNIVKIOMPQXGPL-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(OC)c2)C[C@H]1C ZINC000531140231 435074903 /nfs/dbraw/zinc/07/49/03/435074903.db2.gz KNIVKIOMPQXGPL-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cccc(OC)c2)C[C@H]1C ZINC000531140231 435074908 /nfs/dbraw/zinc/07/49/08/435074908.db2.gz KNIVKIOMPQXGPL-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOCCc2ccccc2)C[C@@H]1C ZINC000531139953 435075269 /nfs/dbraw/zinc/07/52/69/435075269.db2.gz KONKDASYTNXFBS-ICSRJNTNSA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCCc2ccccc2)C[C@@H]1C ZINC000531139953 435075273 /nfs/dbraw/zinc/07/52/73/435075273.db2.gz KONKDASYTNXFBS-ICSRJNTNSA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCCc2ccccc2)C[C@@H]1C ZINC000531139953 435075276 /nfs/dbraw/zinc/07/52/76/435075276.db2.gz KONKDASYTNXFBS-ICSRJNTNSA-N 2 1 318.505 3.440 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638791864 435089448 /nfs/dbraw/zinc/08/94/48/435089448.db2.gz WRHXUEMXXNVBSP-HBFSDRIKSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638791864 435089453 /nfs/dbraw/zinc/08/94/53/435089453.db2.gz WRHXUEMXXNVBSP-HBFSDRIKSA-N 2 1 314.473 3.105 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638489348 435041613 /nfs/dbraw/zinc/04/16/13/435041613.db2.gz ZBQORZDZJCRREL-UYAOXDASSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638489348 435041616 /nfs/dbraw/zinc/04/16/16/435041616.db2.gz ZBQORZDZJCRREL-UYAOXDASSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638523942 435047378 /nfs/dbraw/zinc/04/73/78/435047378.db2.gz KMDUOAQWTLUZSC-SCTDSRPQSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638523942 435047380 /nfs/dbraw/zinc/04/73/80/435047380.db2.gz KMDUOAQWTLUZSC-SCTDSRPQSA-N 2 1 300.446 3.123 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638566982 435052765 /nfs/dbraw/zinc/05/27/65/435052765.db2.gz UZNLQMVLCQMTDY-RBUKOAKNSA-N 2 1 315.505 3.223 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000558506277 435094010 /nfs/dbraw/zinc/09/40/10/435094010.db2.gz XRROMBKPCFRXDM-LMMKCTJWSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814545 435094251 /nfs/dbraw/zinc/09/42/51/435094251.db2.gz DJVALGZZCKPZAW-UCLAIMLFSA-N 2 1 310.445 3.428 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814545 435094254 /nfs/dbraw/zinc/09/42/54/435094254.db2.gz DJVALGZZCKPZAW-UCLAIMLFSA-N 2 1 310.445 3.428 20 0 DGADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000578617077 435096954 /nfs/dbraw/zinc/09/69/54/435096954.db2.gz RVCJRRYCQKIMFB-ZCNNSNEGSA-N 2 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000578617077 435096956 /nfs/dbraw/zinc/09/69/56/435096956.db2.gz RVCJRRYCQKIMFB-ZCNNSNEGSA-N 3 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000578617077 435096958 /nfs/dbraw/zinc/09/69/58/435096958.db2.gz RVCJRRYCQKIMFB-ZCNNSNEGSA-N 3 1 315.505 3.019 20 0 DGADMP c1ccc([C@H]2C[C@H](NCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638863203 435108182 /nfs/dbraw/zinc/10/81/82/435108182.db2.gz LRVKRLCKEVGZGJ-UYAOXDASSA-N 2 1 313.489 3.040 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000638873493 435110719 /nfs/dbraw/zinc/11/07/19/435110719.db2.gz IFSBCHOAPKSZQY-IXDOHACOSA-N 2 1 314.477 3.088 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000531724461 435113076 /nfs/dbraw/zinc/11/30/76/435113076.db2.gz YYHQYWWWWDLTCQ-BBWFWOEESA-N 2 1 317.477 3.093 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000531724461 435113081 /nfs/dbraw/zinc/11/30/81/435113081.db2.gz YYHQYWWWWDLTCQ-BBWFWOEESA-N 2 1 317.477 3.093 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cncc(C[NH+]3C[C@@H](C)[C@H](C)C3)c2)C[C@H]1C ZINC000578835134 435113993 /nfs/dbraw/zinc/11/39/93/435113993.db2.gz WXOLZMNMFYSSBL-VQHPVUNQSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392375 435119314 /nfs/dbraw/zinc/11/93/14/435119314.db2.gz VKMUEDRCKOSTER-QZTJIDSGSA-N 2 1 322.880 3.228 20 0 DGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392375 435119316 /nfs/dbraw/zinc/11/93/16/435119316.db2.gz VKMUEDRCKOSTER-QZTJIDSGSA-N 2 1 322.880 3.228 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559148254 435123148 /nfs/dbraw/zinc/12/31/48/435123148.db2.gz SKWVJXHDIZLQJF-NDLGOLERSA-N 2 1 316.489 3.443 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931903 435127823 /nfs/dbraw/zinc/12/78/23/435127823.db2.gz GDFBEUYJNAUDBG-ARFHVFGLSA-N 2 1 309.523 3.061 20 0 DGADMP CC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000531939985 435128395 /nfs/dbraw/zinc/12/83/95/435128395.db2.gz JJUQBBAXJBZDEE-PMACEKPBSA-N 2 1 317.521 3.389 20 0 DGADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976494 435131252 /nfs/dbraw/zinc/13/12/52/435131252.db2.gz PYZGMHIMZVIMAY-AZUAARDMSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976494 435131254 /nfs/dbraw/zinc/13/12/54/435131254.db2.gz PYZGMHIMZVIMAY-AZUAARDMSA-N 2 1 316.489 3.182 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639055943 435139359 /nfs/dbraw/zinc/13/93/59/435139359.db2.gz DTILVIRFSGCVNM-PTWFHZBFSA-N 2 1 314.473 3.271 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639055943 435139362 /nfs/dbraw/zinc/13/93/62/435139362.db2.gz DTILVIRFSGCVNM-PTWFHZBFSA-N 2 1 314.473 3.271 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187898 435145664 /nfs/dbraw/zinc/14/56/64/435145664.db2.gz FEXPWPWOAQHVNL-IKGGRYGDSA-N 2 1 321.534 3.205 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639071588 435146069 /nfs/dbraw/zinc/14/60/69/435146069.db2.gz NADYBZBOGGBWBG-DSLXNQLJSA-N 2 1 314.473 3.104 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639071588 435146072 /nfs/dbraw/zinc/14/60/72/435146072.db2.gz NADYBZBOGGBWBG-DSLXNQLJSA-N 2 1 314.473 3.104 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(C(F)F)nc3)C2)CC1 ZINC000639176792 435184430 /nfs/dbraw/zinc/18/44/30/435184430.db2.gz KVHSVIRXOJOSOO-HNNXBMFYSA-N 2 1 309.404 3.183 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3=CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639182680 435189208 /nfs/dbraw/zinc/18/92/08/435189208.db2.gz MEZGMFJKJXSHPF-QUCCMNQESA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3=CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639182680 435189213 /nfs/dbraw/zinc/18/92/13/435189213.db2.gz MEZGMFJKJXSHPF-QUCCMNQESA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639185241 435189660 /nfs/dbraw/zinc/18/96/60/435189660.db2.gz KMDUOAQWTLUZSC-ZHALLVOQSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639185241 435189663 /nfs/dbraw/zinc/18/96/63/435189663.db2.gz KMDUOAQWTLUZSC-ZHALLVOQSA-N 2 1 300.446 3.123 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000579944614 435193496 /nfs/dbraw/zinc/19/34/96/435193496.db2.gz HBMUIBFPVRHVEU-MAUKXSAKSA-N 2 1 317.477 3.209 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC(C)(C)Oc3ccccc3)C2)C1 ZINC000639208494 435199119 /nfs/dbraw/zinc/19/91/19/435199119.db2.gz WKLDVSZWVNDAMZ-IBGZPJMESA-N 2 1 302.462 3.262 20 0 DGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639221155 435203170 /nfs/dbraw/zinc/20/31/70/435203170.db2.gz MELANRZIEKDYCX-MJGOQNOKSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639221155 435203174 /nfs/dbraw/zinc/20/31/74/435203174.db2.gz MELANRZIEKDYCX-MJGOQNOKSA-N 2 1 316.489 3.353 20 0 DGADMP Cc1nocc1CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639227392 435203969 /nfs/dbraw/zinc/20/39/69/435203969.db2.gz MDWLBVBZXPDOCQ-IEBWSBKVSA-N 2 1 311.429 3.441 20 0 DGADMP Cc1nocc1C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639227392 435203975 /nfs/dbraw/zinc/20/39/75/435203975.db2.gz MDWLBVBZXPDOCQ-IEBWSBKVSA-N 2 1 311.429 3.441 20 0 DGADMP C[C@H](NCc1c[nH]cn1)c1ccc(OCc2cccnc2)cc1 ZINC000580144700 435207934 /nfs/dbraw/zinc/20/79/34/435207934.db2.gz IXKNHFWIUTXBDS-AWEZNQCLSA-N 2 1 308.385 3.235 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000560245849 435156592 /nfs/dbraw/zinc/15/65/92/435156592.db2.gz KDZSWAKHFCBQKU-AHCXZYCDSA-N 2 1 302.462 3.305 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000560245849 435156594 /nfs/dbraw/zinc/15/65/94/435156594.db2.gz KDZSWAKHFCBQKU-AHCXZYCDSA-N 2 1 302.462 3.305 20 0 DGADMP CC[C@@H](C)[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114704 435159837 /nfs/dbraw/zinc/15/98/37/435159837.db2.gz MLHSRVNTZTUPTM-QAPCUYQASA-N 2 1 319.493 3.460 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CCCO1 ZINC000639116288 435160806 /nfs/dbraw/zinc/16/08/06/435160806.db2.gz DSWDYEIRWCNFJB-DFQSSKMNSA-N 2 1 316.489 3.271 20 0 DGADMP COC(=O)c1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000560336543 435160934 /nfs/dbraw/zinc/16/09/34/435160934.db2.gz RMDGTBBAEGPUKY-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCC2(C)C)c2cccs2)CC1 ZINC000532441636 435164949 /nfs/dbraw/zinc/16/49/49/435164949.db2.gz CGVOCRVXHUDAHG-NVXWUHKLSA-N 2 1 321.534 3.205 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CCOC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000474875050 435164987 /nfs/dbraw/zinc/16/49/87/435164987.db2.gz DANIQLYYBXKBCV-UMGGQSCQSA-N 2 1 316.489 3.302 20 0 DGADMP CC1CCC([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000532442351 435166247 /nfs/dbraw/zinc/16/62/47/435166247.db2.gz TWYANYZIQIGROI-OFLPRAFFSA-N 2 1 321.534 3.205 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)CCC[NH+]1CCCC1)CC2 ZINC000639132732 435167639 /nfs/dbraw/zinc/16/76/39/435167639.db2.gz SYDCQFAYGFWOSG-QGZVFWFLSA-N 2 1 318.461 3.109 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)CCC[NH+]1CCCC1)CC2 ZINC000639132732 435167643 /nfs/dbraw/zinc/16/76/43/435167643.db2.gz SYDCQFAYGFWOSG-QGZVFWFLSA-N 2 1 318.461 3.109 20 0 DGADMP COc1ccc(C2(NCc3cnc4ccc(C)cn34)CC2)cc1 ZINC000532497481 435171504 /nfs/dbraw/zinc/17/15/04/435171504.db2.gz JFKNZLFXGGWDIR-UHFFFAOYSA-N 2 1 307.397 3.430 20 0 DGADMP CCOCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560532145 435175460 /nfs/dbraw/zinc/17/54/60/435175460.db2.gz OYESBHNXLKYCQZ-HSALFYBXSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C[NH+]1C[C@@H](C)S[C@@H](C)C1)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533290792 435223139 /nfs/dbraw/zinc/22/31/39/435223139.db2.gz MAHZPWZVRHRGMZ-GEEKYZPCSA-N 2 1 316.580 3.274 20 0 DGADMP COC[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000561354876 435212706 /nfs/dbraw/zinc/21/27/06/435212706.db2.gz ROVRAXRXXQTXQO-LMMKCTJWSA-N 2 1 304.478 3.332 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1F ZINC000639295033 435233260 /nfs/dbraw/zinc/23/32/60/435233260.db2.gz HQPAUHWWQNWXAU-QGZVFWFLSA-N 2 1 308.441 3.102 20 0 DGADMP COc1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)c(F)c1 ZINC000580438626 435235970 /nfs/dbraw/zinc/23/59/70/435235970.db2.gz WGJUJINBWKZEGK-UHFFFAOYSA-N 2 1 320.408 3.381 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c(F)c1 ZINC000580438626 435235978 /nfs/dbraw/zinc/23/59/78/435235978.db2.gz WGJUJINBWKZEGK-UHFFFAOYSA-N 2 1 320.408 3.381 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)CC1 ZINC000561975764 435243145 /nfs/dbraw/zinc/24/31/45/435243145.db2.gz OSAFNXXDEHGYBU-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924398 435256012 /nfs/dbraw/zinc/25/60/12/435256012.db2.gz TYMSAEXAGYKWDB-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924398 435256017 /nfs/dbraw/zinc/25/60/17/435256017.db2.gz TYMSAEXAGYKWDB-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924398 435256020 /nfs/dbraw/zinc/25/60/20/435256020.db2.gz TYMSAEXAGYKWDB-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924398 435256023 /nfs/dbraw/zinc/25/60/23/435256023.db2.gz TYMSAEXAGYKWDB-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924398 435256028 /nfs/dbraw/zinc/25/60/28/435256028.db2.gz TYMSAEXAGYKWDB-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354631 435260045 /nfs/dbraw/zinc/26/00/45/435260045.db2.gz MVZMBQIPESOMFY-HOJAQTOUSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354631 435260052 /nfs/dbraw/zinc/26/00/52/435260052.db2.gz MVZMBQIPESOMFY-HOJAQTOUSA-N 2 1 313.489 3.038 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000639374078 435271251 /nfs/dbraw/zinc/27/12/51/435271251.db2.gz ACIXPHXZFXWOFQ-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000534314644 435278966 /nfs/dbraw/zinc/27/89/66/435278966.db2.gz KJGDJYHJOYPQLD-CQSZACIVSA-N 2 1 319.371 3.015 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000534314644 435278970 /nfs/dbraw/zinc/27/89/70/435278970.db2.gz KJGDJYHJOYPQLD-CQSZACIVSA-N 2 1 319.371 3.015 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000534314643 435280554 /nfs/dbraw/zinc/28/05/54/435280554.db2.gz KJGDJYHJOYPQLD-AWEZNQCLSA-N 2 1 319.371 3.015 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000534314643 435280561 /nfs/dbraw/zinc/28/05/61/435280561.db2.gz KJGDJYHJOYPQLD-AWEZNQCLSA-N 2 1 319.371 3.015 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CN2CCC1CC2 ZINC000639397724 435284034 /nfs/dbraw/zinc/28/40/34/435284034.db2.gz OJESWIPPRRFSDI-QGZVFWFLSA-N 2 1 315.848 3.414 20 0 DGADMP CN(Cc1cc(Cl)cc2cccnc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000639397724 435284038 /nfs/dbraw/zinc/28/40/38/435284038.db2.gz OJESWIPPRRFSDI-QGZVFWFLSA-N 2 1 315.848 3.414 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCO1 ZINC000648435699 435298307 /nfs/dbraw/zinc/29/83/07/435298307.db2.gz LOYAQNCZJIWXLL-HOTGVXAUSA-N 2 1 317.408 3.367 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[NH+](C)C ZINC000534798506 435301356 /nfs/dbraw/zinc/30/13/56/435301356.db2.gz PSXRSFYLNQMPCH-WNRNVDISSA-N 2 1 308.510 3.290 20 0 DGADMP CCCc1ccc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000567286111 435305420 /nfs/dbraw/zinc/30/54/20/435305420.db2.gz APZBQTCAUKXGCC-KRWDZBQOSA-N 2 1 316.489 3.324 20 0 DGADMP CCCc1ccc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000567286111 435305424 /nfs/dbraw/zinc/30/54/24/435305424.db2.gz APZBQTCAUKXGCC-KRWDZBQOSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC1(F)F ZINC000639359696 435262917 /nfs/dbraw/zinc/26/29/17/435262917.db2.gz PGCDWAVDGPPRNW-YQFWSFKMSA-N 2 1 308.416 3.388 20 0 DGADMP CCOc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000535082386 435318890 /nfs/dbraw/zinc/31/88/90/435318890.db2.gz ZGRQFJPIVIYFTD-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457526 435329882 /nfs/dbraw/zinc/32/98/82/435329882.db2.gz IOWQDXREONGORS-XUVXKRRUSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643457510 435330960 /nfs/dbraw/zinc/33/09/60/435330960.db2.gz HKYXVCPMKUNVJP-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1OCC[C@@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530641 435332666 /nfs/dbraw/zinc/33/26/66/435332666.db2.gz FZXRKMSJKWOVSR-SJLPKXTDSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530641 435332674 /nfs/dbraw/zinc/33/26/74/435332674.db2.gz FZXRKMSJKWOVSR-SJLPKXTDSA-N 2 1 302.462 3.008 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+]CC1(O)CCC1)C1CCCCC1 ZINC000567605221 435332686 /nfs/dbraw/zinc/33/26/86/435332686.db2.gz IJWYVPWYUYGENB-UHFFFAOYSA-N 2 1 316.489 3.456 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643472458 435333034 /nfs/dbraw/zinc/33/30/34/435333034.db2.gz ABRLIJHJQVQEOI-HOCLYGCPSA-N 2 1 305.466 3.107 20 0 DGADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507376 435339116 /nfs/dbraw/zinc/33/91/16/435339116.db2.gz BGNUVECHVYVRTM-MOPGFXCFSA-N 2 1 302.462 3.452 20 0 DGADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[NH2+]C1CC1 ZINC000643506517 435339620 /nfs/dbraw/zinc/33/96/20/435339620.db2.gz ZQNDHFQHJGBIQC-LBPRGKRZSA-N 2 1 300.368 3.368 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000567662323 435340779 /nfs/dbraw/zinc/34/07/79/435340779.db2.gz HWIVDTSSANFFKY-DLBZAZTESA-N 2 1 315.486 3.358 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)ccc1F ZINC000643522778 435341306 /nfs/dbraw/zinc/34/13/06/435341306.db2.gz SKYBSPZTWZFWMH-PWSUYJOCSA-N 2 1 315.230 3.381 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000643522478 435341373 /nfs/dbraw/zinc/34/13/73/435341373.db2.gz NUPONQXVTZJQDO-ZYHUDNBSSA-N 2 1 302.340 3.220 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C)[NH3+])CCC3)cc1 ZINC000643529040 435343724 /nfs/dbraw/zinc/34/37/24/435343724.db2.gz TVJHITGEWVWXMD-SMDDNHRTSA-N 2 1 317.458 3.133 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000643529047 435344695 /nfs/dbraw/zinc/34/46/95/435344695.db2.gz UAPATACZLOIWAX-MFKMUULPSA-N 2 1 305.422 3.263 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000643547046 435350190 /nfs/dbraw/zinc/35/01/90/435350190.db2.gz YXGQVVXRAYHTJU-QFBILLFUSA-N 2 1 324.472 3.257 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000639579909 435353760 /nfs/dbraw/zinc/35/37/60/435353760.db2.gz ISFJDXOOICPHQR-YSDSKTICSA-N 2 1 316.489 3.158 20 0 DGADMP COCC[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512330579 435354334 /nfs/dbraw/zinc/35/43/34/435354334.db2.gz KGIGVYZZIOLZMZ-SCTDSRPQSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cccc2ncc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n21 ZINC000535811413 435355844 /nfs/dbraw/zinc/35/58/44/435355844.db2.gz XZRFWDGNXLNRJT-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP FC(F)Oc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479938597 435358123 /nfs/dbraw/zinc/35/81/23/435358123.db2.gz FYJDVFVGKLLMOI-OKILXGFUSA-N 2 1 318.367 3.092 20 0 DGADMP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479938597 435358126 /nfs/dbraw/zinc/35/81/26/435358126.db2.gz FYJDVFVGKLLMOI-OKILXGFUSA-N 2 1 318.367 3.092 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000567883176 435365633 /nfs/dbraw/zinc/36/56/33/435365633.db2.gz UTSYRCKWKWSSOH-GFCCVEGCSA-N 2 1 316.367 3.231 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000567883176 435365635 /nfs/dbraw/zinc/36/56/35/435365635.db2.gz UTSYRCKWKWSSOH-GFCCVEGCSA-N 2 1 316.367 3.231 20 0 DGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1Cl ZINC000639756194 435408952 /nfs/dbraw/zinc/40/89/52/435408952.db2.gz RHSPLDMETOXYQB-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000639755236 435409392 /nfs/dbraw/zinc/40/93/92/435409392.db2.gz ISJIKIWWGLXGGR-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758230 435409648 /nfs/dbraw/zinc/40/96/48/435409648.db2.gz RCGPSCXFTGXWEX-AWEZNQCLSA-N 2 1 323.506 3.158 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758230 435409654 /nfs/dbraw/zinc/40/96/54/435409654.db2.gz RCGPSCXFTGXWEX-AWEZNQCLSA-N 2 1 323.506 3.158 20 0 DGADMP Cc1nc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000568273458 435419539 /nfs/dbraw/zinc/41/95/39/435419539.db2.gz SAOBLRANDNZQFX-RHSMWYFYSA-N 2 1 318.490 3.261 20 0 DGADMP c1coc([C@@H]2C[C@H]2[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000643894738 435379758 /nfs/dbraw/zinc/37/97/58/435379758.db2.gz BMQDGOZXXOYGMX-CYFCUZRWSA-N 2 1 308.425 3.246 20 0 DGADMP c1coc([C@@H]2C[C@H]2[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000643894738 435379763 /nfs/dbraw/zinc/37/97/63/435379763.db2.gz BMQDGOZXXOYGMX-CYFCUZRWSA-N 2 1 308.425 3.246 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513207910 435382540 /nfs/dbraw/zinc/38/25/40/435382540.db2.gz IOAQKLMCOGXYSJ-KVPLUYHFSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513207910 435382543 /nfs/dbraw/zinc/38/25/43/435382543.db2.gz IOAQKLMCOGXYSJ-KVPLUYHFSA-N 2 1 318.505 3.426 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000480689047 435391551 /nfs/dbraw/zinc/39/15/51/435391551.db2.gz KGLKNDFJCWHRKA-QGZVFWFLSA-N 2 1 317.521 3.348 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000480766523 435392395 /nfs/dbraw/zinc/39/23/95/435392395.db2.gz RHWHLULZYJEHPI-MRXNPFEDSA-N 2 1 300.446 3.459 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000513513242 435392590 /nfs/dbraw/zinc/39/25/90/435392590.db2.gz SDRRGCNEIPWODP-HKUYNNGSSA-N 2 1 309.457 3.472 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000514877318 435445429 /nfs/dbraw/zinc/44/54/29/435445429.db2.gz HSZUFMOPZXPKJU-ZWKOTPCHSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000514877318 435445434 /nfs/dbraw/zinc/44/54/34/435445434.db2.gz HSZUFMOPZXPKJU-ZWKOTPCHSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000514877318 435445438 /nfs/dbraw/zinc/44/54/38/435445438.db2.gz HSZUFMOPZXPKJU-ZWKOTPCHSA-N 2 1 306.494 3.142 20 0 DGADMP CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000644526894 435449155 /nfs/dbraw/zinc/44/91/55/435449155.db2.gz HIRQDULBSPCOLS-LJQANCHMSA-N 2 1 304.478 3.312 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000644576922 435461987 /nfs/dbraw/zinc/46/19/87/435461987.db2.gz JCJPCPDACZWJGQ-MTQWCTHYSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000644576922 435461995 /nfs/dbraw/zinc/46/19/95/435461995.db2.gz JCJPCPDACZWJGQ-MTQWCTHYSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC1CC1 ZINC000537849508 435469390 /nfs/dbraw/zinc/46/93/90/435469390.db2.gz WBGRFSSLCGLJQX-RTBURBONSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000537939951 435476278 /nfs/dbraw/zinc/47/62/78/435476278.db2.gz MJRFVFMTVBLBKS-LNLFQRSKSA-N 2 1 324.472 3.428 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000537966901 435476660 /nfs/dbraw/zinc/47/66/60/435476660.db2.gz JTUGEYJGTJNRPO-WMLDXEAASA-N 2 1 310.869 3.429 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000537397459 435440907 /nfs/dbraw/zinc/44/09/07/435440907.db2.gz YNUHVSARISBQIP-LPHOPBHVSA-N 2 1 301.478 3.425 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000537397460 435442601 /nfs/dbraw/zinc/44/26/01/435442601.db2.gz YNUHVSARISBQIP-QFBILLFUSA-N 2 1 301.478 3.425 20 0 DGADMP C[C@@H]([NH2+]CCN1CCC2(CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000514854821 435443022 /nfs/dbraw/zinc/44/30/22/435443022.db2.gz UEHJXQHYKYVZCJ-QZTJIDSGSA-N 2 1 307.526 3.010 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000538507956 435504560 /nfs/dbraw/zinc/50/45/60/435504560.db2.gz OCUQCHNHBGQMEB-RTBURBONSA-N 2 1 314.473 3.222 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000569291535 435520107 /nfs/dbraw/zinc/52/01/07/435520107.db2.gz HHBYRVYZGGPOLS-IEBWSBKVSA-N 2 1 322.468 3.093 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663865 435482860 /nfs/dbraw/zinc/48/28/60/435482860.db2.gz ZSRJANJKVHNAEB-OALUTQOASA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663865 435482866 /nfs/dbraw/zinc/48/28/66/435482866.db2.gz ZSRJANJKVHNAEB-OALUTQOASA-N 2 1 304.478 3.038 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2sccc2C)[C@@H](C)C1 ZINC000538118182 435483125 /nfs/dbraw/zinc/48/31/25/435483125.db2.gz WYXLYSRYHFITMN-IRXDYDNUSA-N 2 1 324.534 3.326 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482872490 435486882 /nfs/dbraw/zinc/48/68/82/435486882.db2.gz ZGOOCHRVUPRUEU-LSTHTHJFSA-N 2 1 318.505 3.284 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](CCc2noc3ccccc32)CC1 ZINC000640015948 435490881 /nfs/dbraw/zinc/49/08/81/435490881.db2.gz PKEFEGIQFKRJNL-UHFFFAOYSA-N 2 1 301.434 3.177 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538306210 435492331 /nfs/dbraw/zinc/49/23/31/435492331.db2.gz YVTKZHZOLCDVSR-SJLPKXTDSA-N 2 1 316.489 3.462 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000539045596 435536166 /nfs/dbraw/zinc/53/61/66/435536166.db2.gz BPBNYHRARRAGEM-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000569026268 435497150 /nfs/dbraw/zinc/49/71/50/435497150.db2.gz LFIYLNYVDZTZFA-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000569026268 435497155 /nfs/dbraw/zinc/49/71/55/435497155.db2.gz LFIYLNYVDZTZFA-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC000569647732 435549163 /nfs/dbraw/zinc/54/91/63/435549163.db2.gz WSFMKDZJLVOQAA-INIZCTEOSA-N 2 1 318.509 3.288 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC000569647732 435549170 /nfs/dbraw/zinc/54/91/70/435549170.db2.gz WSFMKDZJLVOQAA-INIZCTEOSA-N 2 1 318.509 3.288 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2c(C)cccc2C)C[C@@H]1C ZINC000484921621 435556004 /nfs/dbraw/zinc/55/60/04/435556004.db2.gz PZAGZVVVRJUXGT-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2c(C)cccc2C)C[C@@H]1C ZINC000484921621 435556009 /nfs/dbraw/zinc/55/60/09/435556009.db2.gz PZAGZVVVRJUXGT-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2c(C)cccc2C)C[C@@H]1C ZINC000484921621 435556012 /nfs/dbraw/zinc/55/60/12/435556012.db2.gz PZAGZVVVRJUXGT-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000484918259 435556306 /nfs/dbraw/zinc/55/63/06/435556306.db2.gz RKBLXIIYZJTOEW-JKSUJKDBSA-N 2 1 304.478 3.422 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2c(C)cccc2C)C1 ZINC000484917254 435556615 /nfs/dbraw/zinc/55/66/15/435556615.db2.gz HCBKIZFZMKDRJW-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2c(C)cccc2C)C1 ZINC000484917254 435556619 /nfs/dbraw/zinc/55/66/19/435556619.db2.gz HCBKIZFZMKDRJW-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000484917254 435556622 /nfs/dbraw/zinc/55/66/22/435556622.db2.gz HCBKIZFZMKDRJW-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000484917254 435556625 /nfs/dbraw/zinc/55/66/25/435556625.db2.gz HCBKIZFZMKDRJW-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000539852186 435576685 /nfs/dbraw/zinc/57/66/85/435576685.db2.gz OSKFUOHYFNSXLU-IBGZPJMESA-N 2 1 308.510 3.413 20 0 DGADMP C(CC1CC[NH2+]CC1)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000649411778 435579646 /nfs/dbraw/zinc/57/96/46/435579646.db2.gz BAIGXHUTBBORBP-UHFFFAOYSA-N 2 1 321.553 3.354 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416600 435582122 /nfs/dbraw/zinc/58/21/22/435582122.db2.gz FWFKWNOBUHUEAK-QAPCUYQASA-N 2 1 311.429 3.433 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416600 435582128 /nfs/dbraw/zinc/58/21/28/435582128.db2.gz FWFKWNOBUHUEAK-QAPCUYQASA-N 2 1 311.429 3.433 20 0 DGADMP CC[NH+]1CCC(CCNc2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645178531 435585676 /nfs/dbraw/zinc/58/56/76/435585676.db2.gz JHZPGUBBEQXPIL-UHFFFAOYSA-N 2 1 301.438 3.109 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c(C)c1 ZINC000569501818 435538914 /nfs/dbraw/zinc/53/89/14/435538914.db2.gz PEQITGHXLUWPPY-GOSISDBHSA-N 2 1 318.505 3.498 20 0 DGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000539093778 435539165 /nfs/dbraw/zinc/53/91/65/435539165.db2.gz PSYFUIKDISCDKF-FGTMMUONSA-N 2 1 304.478 3.391 20 0 DGADMP CCc1ccc([C@H]2CN(CC[C@@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357638 435543478 /nfs/dbraw/zinc/54/34/78/435543478.db2.gz QKVQNABEECRBTF-VQTJNVASSA-N 2 1 316.489 3.497 20 0 DGADMP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320750 435608334 /nfs/dbraw/zinc/60/83/34/435608334.db2.gz XOOILYOBXZYKFQ-KKXDTOCCSA-N 2 1 324.896 3.472 20 0 DGADMP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320750 435608340 /nfs/dbraw/zinc/60/83/40/435608340.db2.gz XOOILYOBXZYKFQ-KKXDTOCCSA-N 2 1 324.896 3.472 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)CC(C)C ZINC000488074055 435633251 /nfs/dbraw/zinc/63/32/51/435633251.db2.gz MCXYBBOTIWQQMR-MLHJIOFPSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000518338973 435633511 /nfs/dbraw/zinc/63/35/11/435633511.db2.gz DIUYTIIZRJCASB-ZHALLVOQSA-N 2 1 301.478 3.428 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649710417 435676320 /nfs/dbraw/zinc/67/63/20/435676320.db2.gz YTVYUNNTFGOVQO-UHFFFAOYSA-N 2 1 319.346 3.338 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000571175721 435684590 /nfs/dbraw/zinc/68/45/90/435684590.db2.gz KXHAMSJBMYMOQE-RDJZCZTQSA-N 2 1 312.461 3.307 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000571175721 435684592 /nfs/dbraw/zinc/68/45/92/435684592.db2.gz KXHAMSJBMYMOQE-RDJZCZTQSA-N 2 1 312.461 3.307 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222401 435688894 /nfs/dbraw/zinc/68/88/94/435688894.db2.gz MWJJITFOCSWURI-RDJZCZTQSA-N 2 1 310.445 3.161 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222401 435688897 /nfs/dbraw/zinc/68/88/97/435688897.db2.gz MWJJITFOCSWURI-RDJZCZTQSA-N 2 1 310.445 3.161 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1F ZINC000571217302 435689079 /nfs/dbraw/zinc/68/90/79/435689079.db2.gz FMUOLSONYVYKLE-LSDHHAIUSA-N 2 1 310.457 3.331 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000571217302 435689082 /nfs/dbraw/zinc/68/90/82/435689082.db2.gz FMUOLSONYVYKLE-LSDHHAIUSA-N 2 1 310.457 3.331 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000519610993 435694472 /nfs/dbraw/zinc/69/44/72/435694472.db2.gz OUEZJXKUFSGZQY-LBPRGKRZSA-N 2 1 319.276 3.131 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645802827 435694965 /nfs/dbraw/zinc/69/49/65/435694965.db2.gz QHRKNKOXIJBKEK-QYZOEREBSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645802827 435694967 /nfs/dbraw/zinc/69/49/67/435694967.db2.gz QHRKNKOXIJBKEK-QYZOEREBSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645802827 435694972 /nfs/dbraw/zinc/69/49/72/435694972.db2.gz QHRKNKOXIJBKEK-QYZOEREBSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOC3CCC3)C2)s1 ZINC000519700838 435701859 /nfs/dbraw/zinc/70/18/59/435701859.db2.gz IEVUVWACZXKRDE-MRXNPFEDSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOC3CCC3)C2)s1 ZINC000519700838 435701864 /nfs/dbraw/zinc/70/18/64/435701864.db2.gz IEVUVWACZXKRDE-MRXNPFEDSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOC3CCC3)C2)s1 ZINC000519700838 435701872 /nfs/dbraw/zinc/70/18/72/435701872.db2.gz IEVUVWACZXKRDE-MRXNPFEDSA-N 2 1 322.518 3.379 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000655708773 435739779 /nfs/dbraw/zinc/73/97/79/435739779.db2.gz OHQCQGQQUXDYNB-QRQLOZEOSA-N 2 1 318.530 3.425 20 0 DGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655714595 435743583 /nfs/dbraw/zinc/74/35/83/435743583.db2.gz AJNOXCCPGMPIAJ-ZHALLVOQSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000655712102 435743682 /nfs/dbraw/zinc/74/36/82/435743682.db2.gz POGOOZODFRLVIH-RTBURBONSA-N 2 1 316.489 3.117 20 0 DGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000655712101 435743910 /nfs/dbraw/zinc/74/39/10/435743910.db2.gz POGOOZODFRLVIH-RBUKOAKNSA-N 2 1 316.489 3.117 20 0 DGADMP Cc1ccc(C[N@H+](CCC[NH+]2CCCCC2)CC2CC2)cn1 ZINC000646020263 435745328 /nfs/dbraw/zinc/74/53/28/435745328.db2.gz RSMKLXJNVPAARR-UHFFFAOYSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1ccc(C[N@@H+](CCC[NH+]2CCCCC2)CC2CC2)cn1 ZINC000646020263 435745330 /nfs/dbraw/zinc/74/53/30/435745330.db2.gz RSMKLXJNVPAARR-UHFFFAOYSA-N 2 1 301.478 3.478 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000651490095 435745383 /nfs/dbraw/zinc/74/53/83/435745383.db2.gz ZEMQAODVXJCUIO-XYJFISCASA-N 2 1 304.478 3.336 20 0 DGADMP Clc1cccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655724848 435752235 /nfs/dbraw/zinc/75/22/35/435752235.db2.gz IKVFWXVPZVCUDH-GOSISDBHSA-N 2 1 322.880 3.116 20 0 DGADMP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655728676 435754034 /nfs/dbraw/zinc/75/40/34/435754034.db2.gz XYIYDZBYOXUGGV-FXAWDEMLSA-N 2 1 316.489 3.332 20 0 DGADMP COCC(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000491485078 435758031 /nfs/dbraw/zinc/75/80/31/435758031.db2.gz LKXXAAKKHBHFDB-UHFFFAOYSA-N 2 1 306.494 3.407 20 0 DGADMP c1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000655740956 435760548 /nfs/dbraw/zinc/76/05/48/435760548.db2.gz AEJNLAUDPHXDLT-IBGZPJMESA-N 2 1 314.473 3.299 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000571432862 435706794 /nfs/dbraw/zinc/70/67/94/435706794.db2.gz ZAKGACDRSNREFM-QGZVFWFLSA-N 2 1 317.477 3.117 20 0 DGADMP FC1(F)CCCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655769465 435787731 /nfs/dbraw/zinc/78/77/31/435787731.db2.gz ISMZHEHJDVDDHO-GOEBONIOSA-N 2 1 316.436 3.045 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000655771385 435788227 /nfs/dbraw/zinc/78/82/27/435788227.db2.gz JOGXVKJZWRJNEB-CRAIPNDOSA-N 2 1 320.452 3.428 20 0 DGADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000641708163 435791787 /nfs/dbraw/zinc/79/17/87/435791787.db2.gz PQFMOZYQIGUCHR-OALUTQOASA-N 2 1 324.472 3.286 20 0 DGADMP CCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000641708163 435791794 /nfs/dbraw/zinc/79/17/94/435791794.db2.gz PQFMOZYQIGUCHR-OALUTQOASA-N 2 1 324.472 3.286 20 0 DGADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000641708164 435791914 /nfs/dbraw/zinc/79/19/14/435791914.db2.gz PQFMOZYQIGUCHR-RBUKOAKNSA-N 2 1 324.472 3.286 20 0 DGADMP CCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000641708164 435791920 /nfs/dbraw/zinc/79/19/20/435791920.db2.gz PQFMOZYQIGUCHR-RBUKOAKNSA-N 2 1 324.472 3.286 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2C2CCC2)CC1 ZINC000646139776 435792395 /nfs/dbraw/zinc/79/23/95/435792395.db2.gz AUMMOXMFKKUYBP-LJQANCHMSA-N 2 1 307.526 3.057 20 0 DGADMP CCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c(-c2ccccc2)n1 ZINC000641708534 435793434 /nfs/dbraw/zinc/79/34/34/435793434.db2.gz TXWPCSFHLBNALA-MRXNPFEDSA-N 2 1 312.461 3.001 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccncc2N)C[N@H+]1Cc1ccccc1 ZINC000641744814 435808578 /nfs/dbraw/zinc/80/85/78/435808578.db2.gz ZZXFJHVWUKGAQM-AEFFLSMTSA-N 2 1 324.472 3.054 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000641772735 435818066 /nfs/dbraw/zinc/81/80/66/435818066.db2.gz BCRHBNAPQPKFHN-WOJBJXKFSA-N 2 1 316.489 3.354 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474619 435766633 /nfs/dbraw/zinc/76/66/33/435766633.db2.gz KLBMFSMYXHOFJI-MRXNPFEDSA-N 2 1 322.880 3.335 20 0 DGADMP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474622 435767849 /nfs/dbraw/zinc/76/78/49/435767849.db2.gz KMSJSZMSYSRNKP-BUSNORKWSA-N 2 1 314.473 3.277 20 0 DGADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(F)c2)CCCCC1 ZINC000551075249 435820890 /nfs/dbraw/zinc/82/08/90/435820890.db2.gz ILIXKXRNNQUSPI-UHFFFAOYSA-N 2 1 321.440 3.008 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497926 435777346 /nfs/dbraw/zinc/77/73/46/435777346.db2.gz UBNODKLSGDWIRC-HZPDHXFCSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497926 435777353 /nfs/dbraw/zinc/77/73/53/435777353.db2.gz UBNODKLSGDWIRC-HZPDHXFCSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497926 435777359 /nfs/dbraw/zinc/77/73/59/435777359.db2.gz UBNODKLSGDWIRC-HZPDHXFCSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497926 435777364 /nfs/dbraw/zinc/77/73/64/435777364.db2.gz UBNODKLSGDWIRC-HZPDHXFCSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000549841584 435781130 /nfs/dbraw/zinc/78/11/30/435781130.db2.gz WDMKXGDDSJZIGO-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000549841584 435781138 /nfs/dbraw/zinc/78/11/38/435781138.db2.gz WDMKXGDDSJZIGO-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000549841584 435781143 /nfs/dbraw/zinc/78/11/43/435781143.db2.gz WDMKXGDDSJZIGO-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP CC1CCC(C)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655765106 435783194 /nfs/dbraw/zinc/78/31/94/435783194.db2.gz YSBOSKOCQIYGPJ-AVAKVYKDSA-N 2 1 308.510 3.436 20 0 DGADMP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771579 435786293 /nfs/dbraw/zinc/78/62/93/435786293.db2.gz NBTFGSJAFMVPIA-GDBMZVCRSA-N 2 1 316.436 3.045 20 0 DGADMP c1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)nsc2c1 ZINC000641799695 435827714 /nfs/dbraw/zinc/82/77/14/435827714.db2.gz PJCIWTYWKAHTTL-XJKSGUPXSA-N 2 1 301.459 3.260 20 0 DGADMP c1ccc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)nsc2c1 ZINC000641799695 435827720 /nfs/dbraw/zinc/82/77/20/435827720.db2.gz PJCIWTYWKAHTTL-XJKSGUPXSA-N 2 1 301.459 3.260 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000641799913 435827816 /nfs/dbraw/zinc/82/78/16/435827816.db2.gz SOLTZPLWNNHSPE-VBQJREDUSA-N 2 1 313.445 3.455 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000641799219 435828537 /nfs/dbraw/zinc/82/85/37/435828537.db2.gz OIVYWMKOBBSOOB-HOTGVXAUSA-N 2 1 305.466 3.147 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000572487377 435829669 /nfs/dbraw/zinc/82/96/69/435829669.db2.gz DDWYKHSBAGIYIE-UHFFFAOYSA-N 2 1 304.331 3.405 20 0 DGADMP CC[C@H](CC(F)F)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000660655806 435843628 /nfs/dbraw/zinc/84/36/28/435843628.db2.gz MULWHEJHHZRMTO-JZWPEALZSA-N 2 1 318.452 3.241 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(-c3ccccc3)on1)C2 ZINC000660657121 435844022 /nfs/dbraw/zinc/84/40/22/435844022.db2.gz VUJRCNWMWRNHAM-LJQANCHMSA-N 2 1 311.429 3.259 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc3cnccc3o2)[C@H](c2ccccc2)C1 ZINC000651845028 435845170 /nfs/dbraw/zinc/84/51/70/435845170.db2.gz AWYBLTYFZSXJHQ-MJGOQNOKSA-N 2 1 321.424 3.263 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc3cnccc3o2)[C@H](c2ccccc2)C1 ZINC000651845028 435845177 /nfs/dbraw/zinc/84/51/77/435845177.db2.gz AWYBLTYFZSXJHQ-MJGOQNOKSA-N 2 1 321.424 3.263 20 0 DGADMP C[C@@H](CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC000660662351 435846285 /nfs/dbraw/zinc/84/62/85/435846285.db2.gz IRANSQQVTSZTEW-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@@H+](C)CC(C)C)o1 ZINC000651864895 435846348 /nfs/dbraw/zinc/84/63/48/435846348.db2.gz IDDKIYROTNKLQC-UHFFFAOYSA-N 2 1 318.465 3.056 20 0 DGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@H+](C)CC(C)C)o1 ZINC000651864895 435846356 /nfs/dbraw/zinc/84/63/56/435846356.db2.gz IDDKIYROTNKLQC-UHFFFAOYSA-N 2 1 318.465 3.056 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663134 435847220 /nfs/dbraw/zinc/84/72/20/435847220.db2.gz NLRFZYLKKCYCQP-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663134 435847222 /nfs/dbraw/zinc/84/72/22/435847222.db2.gz NLRFZYLKKCYCQP-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660663134 435847225 /nfs/dbraw/zinc/84/72/25/435847225.db2.gz NLRFZYLKKCYCQP-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660663134 435847228 /nfs/dbraw/zinc/84/72/28/435847228.db2.gz NLRFZYLKKCYCQP-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660659722 435847279 /nfs/dbraw/zinc/84/72/79/435847279.db2.gz QEFYTBLAPNNGBX-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659722 435847285 /nfs/dbraw/zinc/84/72/85/435847285.db2.gz QEFYTBLAPNNGBX-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659722 435847289 /nfs/dbraw/zinc/84/72/89/435847289.db2.gz QEFYTBLAPNNGBX-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000651865770 435851160 /nfs/dbraw/zinc/85/11/60/435851160.db2.gz HFNBZFNJCAGWGI-OAHLLOKOSA-N 2 1 323.456 3.110 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651894432 435855338 /nfs/dbraw/zinc/85/53/38/435855338.db2.gz CYYXTUPHJIWRTH-ZULIPRJHSA-N 2 1 318.505 3.284 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651894430 435856352 /nfs/dbraw/zinc/85/63/52/435856352.db2.gz CYYXTUPHJIWRTH-HNJRGHQBSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H](OCC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000651909144 435860471 /nfs/dbraw/zinc/86/04/71/435860471.db2.gz YLWKCFVJVZCURL-IBGZPJMESA-N 2 1 313.445 3.405 20 0 DGADMP CC[N@@H+](CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910339 435861556 /nfs/dbraw/zinc/86/15/56/435861556.db2.gz PUYNKTWUTCAAOT-PKOBYXMFSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910339 435861561 /nfs/dbraw/zinc/86/15/61/435861561.db2.gz PUYNKTWUTCAAOT-PKOBYXMFSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910339 435861567 /nfs/dbraw/zinc/86/15/67/435861567.db2.gz PUYNKTWUTCAAOT-PKOBYXMFSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCCc1c(F)cccc1F)CC[NH2+]CC2 ZINC000655940050 435864088 /nfs/dbraw/zinc/86/40/88/435864088.db2.gz OBHLLERXQSQVDI-CQSZACIVSA-N 2 1 308.416 3.361 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000572855815 435877234 /nfs/dbraw/zinc/87/72/34/435877234.db2.gz NJGBDXUOLIYHQG-NEPJUHHUSA-N 2 1 305.422 3.309 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641797548 435825316 /nfs/dbraw/zinc/82/53/16/435825316.db2.gz FHSLKBWZORMJQO-YESZJQIVSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803655 435826829 /nfs/dbraw/zinc/82/68/29/435826829.db2.gz DEYOKUDQKMIFGN-BPUTZDHNSA-N 2 1 317.477 3.161 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000552086686 435881944 /nfs/dbraw/zinc/88/19/44/435881944.db2.gz MYMJUZDQJLBBLH-CZUORRHYSA-N 2 1 305.853 3.225 20 0 DGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1nsc2ccccc21 ZINC000660762292 435886242 /nfs/dbraw/zinc/88/62/42/435886242.db2.gz KEKPHUFEYQRIPK-UHFFFAOYSA-N 2 1 303.475 3.303 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000652037817 435893282 /nfs/dbraw/zinc/89/32/82/435893282.db2.gz ZQLLFSRFGGMKBG-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000652037817 435893287 /nfs/dbraw/zinc/89/32/87/435893287.db2.gz ZQLLFSRFGGMKBG-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656195758 435909530 /nfs/dbraw/zinc/90/95/30/435909530.db2.gz GIFGEOLZYCGELJ-SUMDDJOVSA-N 3 1 301.478 3.072 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000660904588 435919779 /nfs/dbraw/zinc/91/97/79/435919779.db2.gz NTCBVGHHYGVXRC-UHFFFAOYSA-N 2 1 302.462 3.107 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000665255093 435929801 /nfs/dbraw/zinc/92/98/01/435929801.db2.gz IOMHHWYIWKBIBP-QZHFEQFPSA-N 2 1 302.462 3.309 20 0 DGADMP CC[N@H+](CCC[NH2+][C@@H]1CCCc2nn(C)cc21)C1CCCCC1 ZINC000652237705 435931242 /nfs/dbraw/zinc/93/12/42/435931242.db2.gz ARCCEGSTHLZFNX-GOSISDBHSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCc2nn(C)cc21)C1CCCCC1 ZINC000652237705 435931245 /nfs/dbraw/zinc/93/12/45/435931245.db2.gz ARCCEGSTHLZFNX-GOSISDBHSA-N 2 1 318.509 3.432 20 0 DGADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252352 435931399 /nfs/dbraw/zinc/93/13/99/435931399.db2.gz NKFCKKZSDKEXFJ-NWANDNLSSA-N 2 1 300.368 3.453 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H](C)C2)cc1F ZINC000665258750 435932182 /nfs/dbraw/zinc/93/21/82/435932182.db2.gz KQHMMAFXNKQCMN-UTXMOHQDSA-N 2 1 306.425 3.058 20 0 DGADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665262267 435933366 /nfs/dbraw/zinc/93/33/66/435933366.db2.gz XJCSUCFFEIMDDU-MZPVMMEZSA-N 2 1 318.367 3.467 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCc2ccsc2)C1 ZINC000652363338 435958175 /nfs/dbraw/zinc/95/81/75/435958175.db2.gz BKLDZIZJFDFMAW-ZACQAIPSSA-N 2 1 308.491 3.042 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363095 435958661 /nfs/dbraw/zinc/95/86/61/435958661.db2.gz XPQDHRKUGSJSGM-VAMGGRTRSA-N 2 1 316.489 3.288 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@@H]1CC[NH3+] ZINC000652356249 435958730 /nfs/dbraw/zinc/95/87/30/435958730.db2.gz YPDBHTNWIKUSLG-BXUZGUMPSA-N 2 1 301.356 3.050 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000652358496 435959364 /nfs/dbraw/zinc/95/93/64/435959364.db2.gz LHTCLNQLTVPANR-RTBURBONSA-N 2 1 316.489 3.482 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCc2cccc(F)c2)C1 ZINC000652363441 435959511 /nfs/dbraw/zinc/95/95/11/435959511.db2.gz DTBTTZYSLSKYCA-QYZOEREBSA-N 2 1 320.452 3.119 20 0 DGADMP CCc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362590 435959948 /nfs/dbraw/zinc/95/99/48/435959948.db2.gz KKNBCVWGRZHBPM-ZCNNSNEGSA-N 2 1 316.489 3.152 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)nc(C)[nH+]1 ZINC000647189515 435967756 /nfs/dbraw/zinc/96/77/56/435967756.db2.gz ACJWNWJRKWWVQF-UHFFFAOYSA-N 2 1 324.419 3.230 20 0 DGADMP CC[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707999 435995125 /nfs/dbraw/zinc/99/51/25/435995125.db2.gz RIQRLHTWUYWCCP-BTHPGYMESA-N 2 1 316.489 3.399 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299482 435944680 /nfs/dbraw/zinc/94/46/80/435944680.db2.gz OABHLNDDHDPJAF-BHIYHBOVSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299482 435944685 /nfs/dbraw/zinc/94/46/85/435944685.db2.gz OABHLNDDHDPJAF-BHIYHBOVSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299482 435944689 /nfs/dbraw/zinc/94/46/89/435944689.db2.gz OABHLNDDHDPJAF-BHIYHBOVSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000652335867 435953815 /nfs/dbraw/zinc/95/38/15/435953815.db2.gz MUCXRNPUIDNUGX-IBGZPJMESA-N 2 1 313.445 3.124 20 0 DGADMP Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000652337523 435955063 /nfs/dbraw/zinc/95/50/63/435955063.db2.gz RHHSILDQHQPBLE-FQEVSTJZSA-N 2 1 308.425 3.375 20 0 DGADMP CCc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348496 435955583 /nfs/dbraw/zinc/95/55/83/435955583.db2.gz GGXTXTWSBGDFJN-UFYCRDLUSA-N 2 1 316.489 3.010 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000652350320 435956639 /nfs/dbraw/zinc/95/66/39/435956639.db2.gz SJMUEPHZXWEQFR-BBWFWOEESA-N 2 1 324.415 3.343 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348394 435956657 /nfs/dbraw/zinc/95/66/57/435956657.db2.gz BZUWSDUMQCEDMQ-SLFFLAALSA-N 2 1 316.489 3.146 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351730 435956724 /nfs/dbraw/zinc/95/67/24/435956724.db2.gz QLXKVULINCJLHR-LPHOPBHVSA-N 2 1 311.429 3.211 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351730 435956730 /nfs/dbraw/zinc/95/67/30/435956730.db2.gz QLXKVULINCJLHR-LPHOPBHVSA-N 2 1 311.429 3.211 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348186 435957747 /nfs/dbraw/zinc/95/77/47/435957747.db2.gz WTCNNVNYULIOSQ-MANSERQUSA-N 2 1 302.462 3.356 20 0 DGADMP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711170 435999385 /nfs/dbraw/zinc/99/93/85/435999385.db2.gz KRAOZWBALOFXMY-GDBMZVCRSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711170 435999392 /nfs/dbraw/zinc/99/93/92/435999392.db2.gz KRAOZWBALOFXMY-GDBMZVCRSA-N 2 1 300.450 3.006 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000650719302 436002535 /nfs/dbraw/zinc/00/25/35/436002535.db2.gz KTGBPRVCETZNFQ-UHFFFAOYSA-N 3 1 323.484 3.160 20 0 DGADMP C[NH2+]Cc1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000650719302 436002539 /nfs/dbraw/zinc/00/25/39/436002539.db2.gz KTGBPRVCETZNFQ-UHFFFAOYSA-N 2 1 323.484 3.160 20 0 DGADMP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722204 436005342 /nfs/dbraw/zinc/00/53/42/436005342.db2.gz NAQGICABXHCMKF-KBAYOESNSA-N 2 1 320.502 3.269 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000650720383 436005453 /nfs/dbraw/zinc/00/54/53/436005453.db2.gz NDIMUTXDCSOONL-UHFFFAOYSA-N 2 1 303.475 3.450 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@@H](C)C1 ZINC000650720905 436005480 /nfs/dbraw/zinc/00/54/80/436005480.db2.gz GHXLBFWYXAVNLU-SZMVWBNQSA-N 2 1 301.478 3.123 20 0 DGADMP CCCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722873 436005564 /nfs/dbraw/zinc/00/55/64/436005564.db2.gz COGQJVCFYJLJKN-AQNXPRMDSA-N 2 1 316.489 3.500 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000650722527 436006769 /nfs/dbraw/zinc/00/67/69/436006769.db2.gz WAOGBLGTRIDENE-HYVNUMGLSA-N 2 1 308.853 3.201 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000650723304 436008147 /nfs/dbraw/zinc/00/81/47/436008147.db2.gz KZYURVRZEXCDIZ-SUMDDJOVSA-N 2 1 314.429 3.294 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000650723302 436008308 /nfs/dbraw/zinc/00/83/08/436008308.db2.gz KZYURVRZEXCDIZ-AYBZRNKSSA-N 2 1 314.429 3.294 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690828 436010136 /nfs/dbraw/zinc/01/01/36/436010136.db2.gz MXMWBBMGNDRTEK-IRXDYDNUSA-N 2 1 310.869 3.082 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690828 436010140 /nfs/dbraw/zinc/01/01/40/436010140.db2.gz MXMWBBMGNDRTEK-IRXDYDNUSA-N 2 1 310.869 3.082 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1 ZINC000656698957 436012159 /nfs/dbraw/zinc/01/21/59/436012159.db2.gz DFPAUIQAEILGMC-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000656698957 436012163 /nfs/dbraw/zinc/01/21/63/436012163.db2.gz DFPAUIQAEILGMC-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000656698957 436012168 /nfs/dbraw/zinc/01/21/68/436012168.db2.gz DFPAUIQAEILGMC-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000656693401 436013194 /nfs/dbraw/zinc/01/31/94/436013194.db2.gz GFFOLMHUVHCVDB-WBVHZDCISA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000656693401 436013199 /nfs/dbraw/zinc/01/31/99/436013199.db2.gz GFFOLMHUVHCVDB-WBVHZDCISA-N 2 1 300.446 3.192 20 0 DGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1C ZINC000656700412 436013557 /nfs/dbraw/zinc/01/35/57/436013557.db2.gz KBGPKDJXUCDICE-RTBURBONSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1C ZINC000656700412 436013573 /nfs/dbraw/zinc/01/35/73/436013573.db2.gz KBGPKDJXUCDICE-RTBURBONSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700412 436013579 /nfs/dbraw/zinc/01/35/79/436013579.db2.gz KBGPKDJXUCDICE-RTBURBONSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700412 436013583 /nfs/dbraw/zinc/01/35/83/436013583.db2.gz KBGPKDJXUCDICE-RTBURBONSA-N 2 1 304.478 3.141 20 0 DGADMP CC[N@@H+](CCCN[C@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000650741975 436013941 /nfs/dbraw/zinc/01/39/41/436013941.db2.gz OYVNUUGPMXMJLE-OAHLLOKOSA-N 2 1 304.482 3.189 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742105 436013976 /nfs/dbraw/zinc/01/39/76/436013976.db2.gz QZLROANEASHNTH-OLZOCXBDSA-N 2 1 303.381 3.228 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742107 436014258 /nfs/dbraw/zinc/01/42/58/436014258.db2.gz QZLROANEASHNTH-STQMWFEESA-N 2 1 303.381 3.228 20 0 DGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752676 436020241 /nfs/dbraw/zinc/02/02/41/436020241.db2.gz XEEHWWKLKOVWDX-CYBMUJFWSA-N 2 1 302.393 3.452 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000656784405 436042133 /nfs/dbraw/zinc/04/21/33/436042133.db2.gz DAZDWFKCAFFPLX-LJQANCHMSA-N 2 1 324.472 3.084 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000656786068 436044633 /nfs/dbraw/zinc/04/46/33/436044633.db2.gz VAAJWDYSPPTWFS-JXFKEZNVSA-N 2 1 309.457 3.412 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000656786068 436044637 /nfs/dbraw/zinc/04/46/37/436044637.db2.gz VAAJWDYSPPTWFS-JXFKEZNVSA-N 2 1 309.457 3.412 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785906 436046258 /nfs/dbraw/zinc/04/62/58/436046258.db2.gz NCWWGTKBNWWABQ-KRWDZBQOSA-N 2 1 302.462 3.297 20 0 DGADMP c1ccc(-c2nc3c(s2)C[N@@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC000656788414 436046667 /nfs/dbraw/zinc/04/66/67/436046667.db2.gz OFJQIXGSICFACJ-UHFFFAOYSA-N 2 1 313.470 3.168 20 0 DGADMP [NH3+]C1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCCC1 ZINC000656789403 436046990 /nfs/dbraw/zinc/04/69/90/436046990.db2.gz OEJPKQNUVQPEFV-UHFFFAOYSA-N 2 1 321.896 3.166 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CC3([NH3+])CCCC3)s2)cc1 ZINC000656788255 436047027 /nfs/dbraw/zinc/04/70/27/436047027.db2.gz GVWQBKIFKTXVBU-UHFFFAOYSA-N 2 1 301.459 3.480 20 0 DGADMP Cn1cncc1CC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661372447 436047262 /nfs/dbraw/zinc/04/72/62/436047262.db2.gz CGUKPKKFNQFVRK-UHFFFAOYSA-N 2 1 310.228 3.328 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CCCC1 ZINC000656789715 436047872 /nfs/dbraw/zinc/04/78/72/436047872.db2.gz WGFRDMQJVMNYJO-UHFFFAOYSA-N 2 1 317.658 3.464 20 0 DGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705452 435995418 /nfs/dbraw/zinc/99/54/18/435995418.db2.gz HJCLITGGSLOJAD-XYJFISCASA-N 2 1 320.502 3.127 20 0 DGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705451 435996435 /nfs/dbraw/zinc/99/64/35/435996435.db2.gz HJCLITGGSLOJAD-LZLYRXPVSA-N 2 1 320.502 3.127 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711090 435997336 /nfs/dbraw/zinc/99/73/36/435997336.db2.gz IFFNGVXUDPCDIJ-DYVFJYSZSA-N 2 1 306.498 3.204 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480406 436059311 /nfs/dbraw/zinc/05/93/11/436059311.db2.gz MJJZCKOZLNQJQN-IEBWSBKVSA-N 2 1 324.472 3.349 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480784 436059340 /nfs/dbraw/zinc/05/93/40/436059340.db2.gz ZUZNNRUKYVFTPE-MOPGFXCFSA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480784 436059345 /nfs/dbraw/zinc/05/93/45/436059345.db2.gz ZUZNNRUKYVFTPE-MOPGFXCFSA-N 2 1 322.456 3.108 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000647480611 436061392 /nfs/dbraw/zinc/06/13/92/436061392.db2.gz UWNPSKMDOYMWPZ-QZTJIDSGSA-N 2 1 302.462 3.276 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccccc2)n1 ZINC000647479950 436061750 /nfs/dbraw/zinc/06/17/50/436061750.db2.gz YPKKEHVLFSJKGX-IEBWSBKVSA-N 2 1 324.472 3.051 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480474 436061770 /nfs/dbraw/zinc/06/17/70/436061770.db2.gz OOJLKXOQLFEKSO-HZPDHXFCSA-N 2 1 320.502 3.381 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480474 436061777 /nfs/dbraw/zinc/06/17/77/436061777.db2.gz OOJLKXOQLFEKSO-HZPDHXFCSA-N 2 1 320.502 3.381 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1F ZINC000647482413 436063656 /nfs/dbraw/zinc/06/36/56/436063656.db2.gz DDOZHVNUPOFGHT-CQSZACIVSA-N 2 1 320.452 3.229 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482699 436063843 /nfs/dbraw/zinc/06/38/43/436063843.db2.gz YYQGKNCYVKEIEC-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000647498769 436065712 /nfs/dbraw/zinc/06/57/12/436065712.db2.gz QFUJYPVRLXMFRR-IFXJQAMLSA-N 2 1 313.420 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000647498769 436065718 /nfs/dbraw/zinc/06/57/18/436065718.db2.gz QFUJYPVRLXMFRR-IFXJQAMLSA-N 2 1 313.420 3.447 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@H]1[NH3+] ZINC000647497624 436067145 /nfs/dbraw/zinc/06/71/45/436067145.db2.gz NZTDEIPYYXBZPX-WMLDXEAASA-N 2 1 304.482 3.027 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@H]1[NH3+] ZINC000647497624 436067152 /nfs/dbraw/zinc/06/71/52/436067152.db2.gz NZTDEIPYYXBZPX-WMLDXEAASA-N 2 1 304.482 3.027 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647513292 436068399 /nfs/dbraw/zinc/06/83/99/436068399.db2.gz QBNMDEZJYINCDZ-MRXNPFEDSA-N 2 1 316.445 3.160 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000647509197 436068614 /nfs/dbraw/zinc/06/86/14/436068614.db2.gz TWFRBTOWTWALMH-OFQRWUPVSA-N 2 1 306.450 3.042 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000647530991 436072887 /nfs/dbraw/zinc/07/28/87/436072887.db2.gz UMDFAQUREKKDIB-UHFFFAOYSA-N 2 1 310.445 3.163 20 0 DGADMP CCCCOc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OC ZINC000647531268 436073621 /nfs/dbraw/zinc/07/36/21/436073621.db2.gz KVBLBRSIMREFGX-UHFFFAOYSA-N 2 1 306.450 3.187 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542777 436076984 /nfs/dbraw/zinc/07/69/84/436076984.db2.gz BQTHXZSKFGOXPU-CABCVRRESA-N 2 1 307.507 3.478 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543450 436077141 /nfs/dbraw/zinc/07/71/41/436077141.db2.gz NRJUANZQSPEGIJ-GJZGRUSLSA-N 2 1 305.491 3.232 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543972 436077690 /nfs/dbraw/zinc/07/76/90/436077690.db2.gz VBZPOHQUGIVLHF-LSDHHAIUSA-N 2 1 324.415 3.500 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543635 436078155 /nfs/dbraw/zinc/07/81/55/436078155.db2.gz QQPUJJPLHFROCR-QWHCGFSZSA-N 2 1 312.379 3.316 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647543110 436079129 /nfs/dbraw/zinc/07/91/29/436079129.db2.gz HTVYQNQFPCAEAZ-QZTJIDSGSA-N 2 1 318.509 3.122 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543009 436079386 /nfs/dbraw/zinc/07/93/86/436079386.db2.gz GLTKLKGXCBJKPU-CVEARBPZSA-N 2 1 324.415 3.500 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC000647544397 436081337 /nfs/dbraw/zinc/08/13/37/436081337.db2.gz ZSUCZJFTBGCQRC-KGLIPLIRSA-N 2 1 312.379 3.316 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nc2c(s1)CCCC2 ZINC000647803162 436125415 /nfs/dbraw/zinc/12/54/15/436125415.db2.gz JBSPDBKQZGZHIE-LBPRGKRZSA-N 2 1 301.459 3.331 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803184 436126318 /nfs/dbraw/zinc/12/63/18/436126318.db2.gz LCTCEVOTANFTHR-UTKZUKDTSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647803184 436126322 /nfs/dbraw/zinc/12/63/22/436126322.db2.gz LCTCEVOTANFTHR-UTKZUKDTSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803184 436126325 /nfs/dbraw/zinc/12/63/25/436126325.db2.gz LCTCEVOTANFTHR-UTKZUKDTSA-N 2 1 323.484 3.146 20 0 DGADMP Cc1c[nH]c(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000657309313 436128400 /nfs/dbraw/zinc/12/84/00/436128400.db2.gz CYCHGTAYBZGIJJ-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000657309313 436128404 /nfs/dbraw/zinc/12/84/04/436128404.db2.gz CYCHGTAYBZGIJJ-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000657309313 436128407 /nfs/dbraw/zinc/12/84/07/436128407.db2.gz CYCHGTAYBZGIJJ-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Fc1ccc(CNCc2cnc3n2CCC3)c(C(F)(F)F)c1 ZINC000657309283 436129551 /nfs/dbraw/zinc/12/95/51/436129551.db2.gz BFNVBXNOIGCGFY-UHFFFAOYSA-N 2 1 313.298 3.277 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000657307049 436130348 /nfs/dbraw/zinc/13/03/48/436130348.db2.gz HREQGBYRDXPQKC-INIZCTEOSA-N 2 1 302.462 3.358 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000651189046 436133410 /nfs/dbraw/zinc/13/34/10/436133410.db2.gz VFSLVNCTWDBJJJ-KURKYZTESA-N 2 1 303.494 3.360 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1=CCCOC1 ZINC000661654353 436137937 /nfs/dbraw/zinc/13/79/37/436137937.db2.gz XRHHBSSKVFFDCL-UHFFFAOYSA-N 2 1 314.473 3.451 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cnn(-c2ccccc2)c1 ZINC000647873397 436138338 /nfs/dbraw/zinc/13/83/38/436138338.db2.gz DVOTTZYKSLGVDC-UHFFFAOYSA-N 2 1 312.461 3.084 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000666082852 436140921 /nfs/dbraw/zinc/14/09/21/436140921.db2.gz KBLUVGCDAXDEOJ-BZUAXINKSA-N 2 1 304.865 3.414 20 0 DGADMP C[C@@]1(c2ccccc2)C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884616 436142199 /nfs/dbraw/zinc/14/21/99/436142199.db2.gz PBLCURRYFFVLLJ-IBGZPJMESA-N 2 1 302.462 3.014 20 0 DGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000647888051 436142318 /nfs/dbraw/zinc/14/23/18/436142318.db2.gz FRMJTVKXOKTYLF-KSZLIROESA-N 2 1 308.510 3.292 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)[nH]n1 ZINC000651232956 436145643 /nfs/dbraw/zinc/14/56/43/436145643.db2.gz HEBNIQFWZFCKPI-XUVXKRRUSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)[nH]n1 ZINC000651232956 436145647 /nfs/dbraw/zinc/14/56/47/436145647.db2.gz HEBNIQFWZFCKPI-XUVXKRRUSA-N 2 1 324.472 3.251 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647936854 436151571 /nfs/dbraw/zinc/15/15/71/436151571.db2.gz MENJGEGDOWDFND-SWLSCSKDSA-N 2 1 316.367 3.143 20 0 DGADMP Cc1ncsc1-c1ccc(CNCC[NH+]2CCCC2)cc1 ZINC000657293102 436119546 /nfs/dbraw/zinc/11/95/46/436119546.db2.gz XJJXEEABCBUSIO-UHFFFAOYSA-N 2 1 301.459 3.304 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000647789333 436120073 /nfs/dbraw/zinc/12/00/73/436120073.db2.gz ARPSCQAGQAQFCB-VNTMZGSJSA-N 3 1 319.537 3.009 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1CC1CCCCC1 ZINC000647789333 436120077 /nfs/dbraw/zinc/12/00/77/436120077.db2.gz ARPSCQAGQAQFCB-VNTMZGSJSA-N 2 1 319.537 3.009 20 0 DGADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651274762 436158982 /nfs/dbraw/zinc/15/89/82/436158982.db2.gz LJFOXYHTDKFBFO-GUDVDZBRSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000661706684 436160945 /nfs/dbraw/zinc/16/09/45/436160945.db2.gz HJTDRGVALGVPRZ-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP c1ccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975718 436167215 /nfs/dbraw/zinc/16/72/15/436167215.db2.gz FELRXMONVHIYJW-IAGOWNOFSA-N 2 1 304.503 3.490 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647963826 436163230 /nfs/dbraw/zinc/16/32/30/436163230.db2.gz CRGRDBZRAYBAPM-NCXUSEDFSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647963826 436163237 /nfs/dbraw/zinc/16/32/37/436163237.db2.gz CRGRDBZRAYBAPM-NCXUSEDFSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000647987269 436168550 /nfs/dbraw/zinc/16/85/50/436168550.db2.gz BREWLWMDFLXJHB-MSOLQXFVSA-N 2 1 302.462 3.004 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000657387559 436172336 /nfs/dbraw/zinc/17/23/36/436172336.db2.gz WYSJXXYTRNAPDQ-QXCFHYIPSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000657387559 436172342 /nfs/dbraw/zinc/17/23/42/436172342.db2.gz WYSJXXYTRNAPDQ-QXCFHYIPSA-N 2 1 302.462 3.054 20 0 DGADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975750 436167892 /nfs/dbraw/zinc/16/78/92/436167892.db2.gz FMZZWWRJDFVNGZ-HRCADAONSA-N 2 1 320.481 3.185 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2CC(C)C)CC1 ZINC000648001674 436173925 /nfs/dbraw/zinc/17/39/25/436173925.db2.gz CMTYQLAYLLLUIA-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000653504822 436187967 /nfs/dbraw/zinc/18/79/67/436187967.db2.gz KTYFXYMUUHPAAZ-IBGZPJMESA-N 2 1 313.445 3.034 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000653504822 436187974 /nfs/dbraw/zinc/18/79/74/436187974.db2.gz KTYFXYMUUHPAAZ-IBGZPJMESA-N 2 1 313.445 3.034 20 0 DGADMP CC[C@H](c1cccc(OC)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000653675636 436241322 /nfs/dbraw/zinc/24/13/22/436241322.db2.gz ITLVSQUSXKKTKW-GOSISDBHSA-N 2 1 301.434 3.444 20 0 DGADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653675636 436241325 /nfs/dbraw/zinc/24/13/25/436241325.db2.gz ITLVSQUSXKKTKW-GOSISDBHSA-N 2 1 301.434 3.444 20 0 DGADMP c1nc2n(c1CNCc1ccccc1N1CCCCC1)CCC2 ZINC000657428722 436196381 /nfs/dbraw/zinc/19/63/81/436196381.db2.gz NIEHPUBSEQTQCT-UHFFFAOYSA-N 2 1 310.445 3.109 20 0 DGADMP C[N@@H+](CCc1noc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000653559717 436203752 /nfs/dbraw/zinc/20/37/52/436203752.db2.gz PKSVIVLPROMTHA-HNNXBMFYSA-N 2 1 301.434 3.177 20 0 DGADMP C[N@H+](CCc1noc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000653559717 436203757 /nfs/dbraw/zinc/20/37/57/436203757.db2.gz PKSVIVLPROMTHA-HNNXBMFYSA-N 2 1 301.434 3.177 20 0 DGADMP C[NH+](CCc1noc2ccccc21)CC[C@@H]1CCCC[N@@H+]1C ZINC000653559717 436203761 /nfs/dbraw/zinc/20/37/61/436203761.db2.gz PKSVIVLPROMTHA-HNNXBMFYSA-N 2 1 301.434 3.177 20 0 DGADMP C[NH+](CCc1noc2ccccc21)CC[C@@H]1CCCC[N@H+]1C ZINC000653559717 436203766 /nfs/dbraw/zinc/20/37/66/436203766.db2.gz PKSVIVLPROMTHA-HNNXBMFYSA-N 2 1 301.434 3.177 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)C[NH+](C)C ZINC000657472520 436217129 /nfs/dbraw/zinc/21/71/29/436217129.db2.gz UEGSVGOPUNWDSV-CQSZACIVSA-N 2 1 317.408 3.300 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OC(F)F)cc1 ZINC000653600810 436221023 /nfs/dbraw/zinc/22/10/23/436221023.db2.gz UMZJDZCAZGULEB-GFCCVEGCSA-N 2 1 309.360 3.305 20 0 DGADMP Fc1c(C[NH2+]Cc2ccc3c[nH+]cn3c2)cccc1OC1CC1 ZINC000657488899 436225351 /nfs/dbraw/zinc/22/53/51/436225351.db2.gz XATMEDSPMFDLDC-UHFFFAOYSA-N 2 1 311.360 3.304 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000657751196 436295268 /nfs/dbraw/zinc/29/52/68/436295268.db2.gz GXCMIXFAKCPCJX-VQIMIIECSA-N 2 1 308.510 3.436 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000666856601 436295847 /nfs/dbraw/zinc/29/58/47/436295847.db2.gz SXPIYMOZKNQXIS-LLVKDONJSA-N 2 1 303.233 3.234 20 0 DGADMP COc1ccc(C(C)C)cc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000653695577 436245211 /nfs/dbraw/zinc/24/52/11/436245211.db2.gz WOGXZRPVFKCYMU-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000653695577 436245215 /nfs/dbraw/zinc/24/52/15/436245215.db2.gz WOGXZRPVFKCYMU-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000653695577 436245219 /nfs/dbraw/zinc/24/52/19/436245219.db2.gz WOGXZRPVFKCYMU-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000653695577 436245221 /nfs/dbraw/zinc/24/52/21/436245221.db2.gz WOGXZRPVFKCYMU-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000653695577 436245227 /nfs/dbraw/zinc/24/52/27/436245227.db2.gz WOGXZRPVFKCYMU-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657597207 436256214 /nfs/dbraw/zinc/25/62/14/436256214.db2.gz QXYOOWUPQMZNKF-NSISKUIASA-N 2 1 316.489 3.169 20 0 DGADMP CCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657594212 436257847 /nfs/dbraw/zinc/25/78/47/436257847.db2.gz GMLYGHNENBHBON-OAQYLSRUSA-N 2 1 324.468 3.105 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC000666702065 436268739 /nfs/dbraw/zinc/26/87/39/436268739.db2.gz YOQIWWGMHVGFEU-NEPJUHHUSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000657666255 436273069 /nfs/dbraw/zinc/27/30/69/436273069.db2.gz NSVAELGINFWKSE-FXAWDEMLSA-N 2 1 316.489 3.241 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)CN(C)C1CC1)C(C)C ZINC000662107454 436276436 /nfs/dbraw/zinc/27/64/36/436276436.db2.gz RATGZOPDBGRBOT-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107454 436276440 /nfs/dbraw/zinc/27/64/40/436276440.db2.gz RATGZOPDBGRBOT-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107454 436276445 /nfs/dbraw/zinc/27/64/45/436276445.db2.gz RATGZOPDBGRBOT-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000662107454 436276447 /nfs/dbraw/zinc/27/64/47/436276447.db2.gz RATGZOPDBGRBOT-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000662107454 436276452 /nfs/dbraw/zinc/27/64/52/436276452.db2.gz RATGZOPDBGRBOT-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000666756645 436276706 /nfs/dbraw/zinc/27/67/06/436276706.db2.gz MWLATYTZLBNZJM-GFCCVEGCSA-N 2 1 301.459 3.331 20 0 DGADMP C[C@@H]([NH2+]Cc1c(Cl)ccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000666774178 436279942 /nfs/dbraw/zinc/27/99/42/436279942.db2.gz NBFHNTFVCRWQLJ-OCCSQVGLSA-N 2 1 303.837 3.366 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000657701858 436283100 /nfs/dbraw/zinc/28/31/00/436283100.db2.gz CPPQUTVFSFEVSL-VVLHAWIVSA-N 2 1 306.494 3.329 20 0 DGADMP C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657967806 436347850 /nfs/dbraw/zinc/34/78/50/436347850.db2.gz SWSMLPPFMKGQGH-UHOSZYNNSA-N 2 1 314.473 3.198 20 0 DGADMP COc1ccc(-c2cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)on2)cc1 ZINC000662247623 436310374 /nfs/dbraw/zinc/31/03/74/436310374.db2.gz HEZZZLSDXOCEBT-QGZVFWFLSA-N 2 1 317.433 3.155 20 0 DGADMP COc1ccc(-c2cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)on2)cc1 ZINC000662247623 436310380 /nfs/dbraw/zinc/31/03/80/436310380.db2.gz HEZZZLSDXOCEBT-QGZVFWFLSA-N 2 1 317.433 3.155 20 0 DGADMP COc1ccc(-c2cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)on2)cc1 ZINC000662247622 436311071 /nfs/dbraw/zinc/31/10/71/436311071.db2.gz HEZZZLSDXOCEBT-KRWDZBQOSA-N 2 1 317.433 3.155 20 0 DGADMP COc1ccc(-c2cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)on2)cc1 ZINC000662247622 436311076 /nfs/dbraw/zinc/31/10/76/436311076.db2.gz HEZZZLSDXOCEBT-KRWDZBQOSA-N 2 1 317.433 3.155 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254495 436313498 /nfs/dbraw/zinc/31/34/98/436313498.db2.gz IXFMSIJGIFLECX-OALUTQOASA-N 2 1 314.473 3.433 20 0 DGADMP CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256970 436313644 /nfs/dbraw/zinc/31/36/44/436313644.db2.gz KUZNGZBZKKRPSA-QGZVFWFLSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253513 436313961 /nfs/dbraw/zinc/31/39/61/436313961.db2.gz ZOFNUHWHRHTOTN-IEBWSBKVSA-N 2 1 312.457 3.049 20 0 DGADMP FCC1(CF)CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657816918 436316527 /nfs/dbraw/zinc/31/65/27/436316527.db2.gz PPQQGBMXOZPRBP-UHFFFAOYSA-N 2 1 308.416 3.328 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)C[C@H]21 ZINC000662267262 436317458 /nfs/dbraw/zinc/31/74/58/436317458.db2.gz UBAZSUZCAMMGDK-DAXOMENPSA-N 2 1 310.894 3.491 20 0 DGADMP Cc1nocc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270535 436318464 /nfs/dbraw/zinc/31/84/64/436318464.db2.gz MCICZZBAWBGTPU-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP CC[C@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000662270493 436318984 /nfs/dbraw/zinc/31/89/84/436318984.db2.gz LOTQCEMVNXVVGW-SMDDNHRTSA-N 2 1 300.418 3.116 20 0 DGADMP CC[C@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000662270493 436318988 /nfs/dbraw/zinc/31/89/88/436318988.db2.gz LOTQCEMVNXVVGW-SMDDNHRTSA-N 2 1 300.418 3.116 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000666995369 436321528 /nfs/dbraw/zinc/32/15/28/436321528.db2.gz LNVPRRNVAOZODH-NZSAHSFTSA-N 2 1 313.489 3.086 20 0 DGADMP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000662277546 436321571 /nfs/dbraw/zinc/32/15/71/436321571.db2.gz VZFLIUQAMHPYRV-MAUKXSAKSA-N 2 1 320.502 3.251 20 0 DGADMP Cc1nc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cs1 ZINC000662278210 436321923 /nfs/dbraw/zinc/32/19/23/436321923.db2.gz YJDJCFVTUJUHGO-GOSISDBHSA-N 2 1 313.470 3.434 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657838951 436323546 /nfs/dbraw/zinc/32/35/46/436323546.db2.gz HYHRJZZACIKMDK-IXDOHACOSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cncc(Br)c1 ZINC000657839753 436323782 /nfs/dbraw/zinc/32/37/82/436323782.db2.gz FUDUDDWQOTZGOA-CQDKDKBSSA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cncc(Br)c1 ZINC000657839753 436323785 /nfs/dbraw/zinc/32/37/85/436323785.db2.gz FUDUDDWQOTZGOA-CQDKDKBSSA-N 2 1 324.266 3.122 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000662285827 436324407 /nfs/dbraw/zinc/32/44/07/436324407.db2.gz NMGXNKFSPQVZMV-QXSJWSMHSA-N 2 1 316.436 3.030 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1F ZINC000657851730 436327128 /nfs/dbraw/zinc/32/71/28/436327128.db2.gz QJKOQGOEVTVWCT-HNNXBMFYSA-N 2 1 315.392 3.121 20 0 DGADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657858553 436328253 /nfs/dbraw/zinc/32/82/53/436328253.db2.gz HYSOSNABGZLUSR-RBUKOAKNSA-N 2 1 324.472 3.220 20 0 DGADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657858553 436328254 /nfs/dbraw/zinc/32/82/54/436328254.db2.gz HYSOSNABGZLUSR-RBUKOAKNSA-N 2 1 324.472 3.220 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c2c(c1)C[NH2+]CC2 ZINC000662314879 436329407 /nfs/dbraw/zinc/32/94/07/436329407.db2.gz QBGDPCQMIVCVED-AZUAARDMSA-N 2 1 314.473 3.113 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCCCO3)C1)C[NH2+]CC2 ZINC000662315773 436329555 /nfs/dbraw/zinc/32/95/55/436329555.db2.gz SEZXGXPLEQCSNJ-AZUAARDMSA-N 2 1 314.473 3.113 20 0 DGADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657875731 436331274 /nfs/dbraw/zinc/33/12/74/436331274.db2.gz ICRCNHIRTWZUNF-FUHWJXTLSA-N 2 1 300.490 3.428 20 0 DGADMP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322933 436331480 /nfs/dbraw/zinc/33/14/80/436331480.db2.gz JPLHZXGSJRPISX-QAPCUYQASA-N 2 1 324.896 3.486 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322933 436331482 /nfs/dbraw/zinc/33/14/82/436331482.db2.gz JPLHZXGSJRPISX-QAPCUYQASA-N 2 1 324.896 3.486 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662319276 436331653 /nfs/dbraw/zinc/33/16/53/436331653.db2.gz LWRBOKLBSRGQNF-CYBMUJFWSA-N 2 1 323.278 3.463 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662319276 436331657 /nfs/dbraw/zinc/33/16/57/436331657.db2.gz LWRBOKLBSRGQNF-CYBMUJFWSA-N 2 1 323.278 3.463 20 0 DGADMP COC1CC(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658055965 436360557 /nfs/dbraw/zinc/36/05/57/436360557.db2.gz NVNFGDMJADHNRG-IHJVYAAUSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090209 436371357 /nfs/dbraw/zinc/37/13/57/436371357.db2.gz FMANPDWYNCIKCM-CJNGLKHVSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090209 436371359 /nfs/dbraw/zinc/37/13/59/436371359.db2.gz FMANPDWYNCIKCM-CJNGLKHVSA-N 2 1 321.440 3.005 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658143220 436387475 /nfs/dbraw/zinc/38/74/75/436387475.db2.gz GHBBBCOCHBFYTO-NHCUHLMSSA-N 2 1 324.468 3.494 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658161347 436390558 /nfs/dbraw/zinc/39/05/58/436390558.db2.gz KCQKIFNCIYUHEF-NXWXRZEISA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658161347 436390562 /nfs/dbraw/zinc/39/05/62/436390562.db2.gz KCQKIFNCIYUHEF-NXWXRZEISA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658161038 436390708 /nfs/dbraw/zinc/39/07/08/436390708.db2.gz IFZJKQNYODKQND-QXCFHYIPSA-N 2 1 302.462 3.054 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658219058 436403201 /nfs/dbraw/zinc/40/32/01/436403201.db2.gz HICDYSCMXFXACW-PMPSAXMXSA-N 2 1 318.452 3.148 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344559 436442049 /nfs/dbraw/zinc/44/20/49/436442049.db2.gz AMUWMCNCWCQEIL-QAPCUYQASA-N 2 1 304.453 3.468 20 0 DGADMP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343933 436443295 /nfs/dbraw/zinc/44/32/95/436443295.db2.gz KEGVTLPDDIDBPQ-NMLBUPMWSA-N 2 1 320.521 3.293 20 0 DGADMP COc1ccccc1/C=C\C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347579 436443590 /nfs/dbraw/zinc/44/35/90/436443590.db2.gz PFURKQAQBMEIHX-MPYGFJLXSA-N 2 1 314.473 3.420 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000663463746 436463529 /nfs/dbraw/zinc/46/35/29/436463529.db2.gz BGZNTSFGAIAPSY-GOEBONIOSA-N 2 1 318.461 3.173 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000663463746 436463533 /nfs/dbraw/zinc/46/35/33/436463533.db2.gz BGZNTSFGAIAPSY-GOEBONIOSA-N 2 1 318.461 3.173 20 0 DGADMP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464163 436463942 /nfs/dbraw/zinc/46/39/42/436463942.db2.gz CXHOWTRPZBEYHO-LMDPOFIKSA-N 2 1 306.494 3.190 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464607 436464178 /nfs/dbraw/zinc/46/41/78/436464178.db2.gz DXNABPKKPSKLEY-HQRMLTQVSA-N 2 1 316.489 3.474 20 0 DGADMP CCn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000663467821 436465110 /nfs/dbraw/zinc/46/51/10/436465110.db2.gz ODHCBLAYBNBJNC-NVXWUHKLSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC(F)CC1 ZINC000658288220 436418491 /nfs/dbraw/zinc/41/84/91/436418491.db2.gz BGHZABYKQUYJPD-IDMDMSBLSA-N 2 1 312.473 3.136 20 0 DGADMP CC(C)[C@@H](O)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000658288112 436419571 /nfs/dbraw/zinc/41/95/71/436419571.db2.gz NBAIRQUZKDKLAC-RBUKOAKNSA-N 2 1 304.478 3.207 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CCC[C@H]([NH+](C)C)CC2)[nH+]1 ZINC000663843497 436517225 /nfs/dbraw/zinc/51/72/25/436517225.db2.gz LTRWFLYGULRSNI-ZDUSSCGKSA-N 2 1 301.356 3.329 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3nsc4ccccc43)CC[C@@H]21 ZINC000660010646 436577909 /nfs/dbraw/zinc/57/79/09/436577909.db2.gz KOIYPFGIVDGGGP-YOEHRIQHSA-N 2 1 315.486 3.255 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3nsc4ccccc43)CC[C@@H]21 ZINC000660010646 436577914 /nfs/dbraw/zinc/57/79/14/436577914.db2.gz KOIYPFGIVDGGGP-YOEHRIQHSA-N 2 1 315.486 3.255 20 0 DGADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)co1 ZINC000660007689 436579104 /nfs/dbraw/zinc/57/91/04/436579104.db2.gz NFANGCFOVPDSGS-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)co1 ZINC000660007689 436579106 /nfs/dbraw/zinc/57/91/06/436579106.db2.gz NFANGCFOVPDSGS-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP CCN(Cc1cn(C)cn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659868588 436550554 /nfs/dbraw/zinc/55/05/54/436550554.db2.gz PKCMUOGRQLNKJS-VQIMIIECSA-N 2 1 312.461 3.078 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659876536 436552238 /nfs/dbraw/zinc/55/22/38/436552238.db2.gz JEUIAUXHEREQCU-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659876083 436553147 /nfs/dbraw/zinc/55/31/47/436553147.db2.gz ARYWDXYQHXHTHH-QZTJIDSGSA-N 2 1 309.542 3.017 20 0 DGADMP CC1CCC([NH+]2CCN(CC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000659932779 436560737 /nfs/dbraw/zinc/56/07/37/436560737.db2.gz MSPKYXQWQYPKJC-REPIYIIUSA-N 2 1 321.553 3.161 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CCC12CCOCC2 ZINC000664139375 436564462 /nfs/dbraw/zinc/56/44/62/436564462.db2.gz BSVPQZLYXGJAQV-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP COc1cccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000659945715 436565999 /nfs/dbraw/zinc/56/59/99/436565999.db2.gz BSVMPTKNQDVXQI-INIZCTEOSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000659945715 436566002 /nfs/dbraw/zinc/56/60/02/436566002.db2.gz BSVMPTKNQDVXQI-INIZCTEOSA-N 2 1 320.502 3.205 20 0 DGADMP CO[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000659972874 436568682 /nfs/dbraw/zinc/56/86/82/436568682.db2.gz ZBYQNNCHDJAYNH-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972874 436568686 /nfs/dbraw/zinc/56/86/86/436568686.db2.gz ZBYQNNCHDJAYNH-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972874 436568688 /nfs/dbraw/zinc/56/86/88/436568688.db2.gz ZBYQNNCHDJAYNH-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000660115483 436589918 /nfs/dbraw/zinc/58/99/18/436589918.db2.gz AJEILDYXDDVXBP-HSALFYBXSA-N 2 1 316.489 3.494 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nsc2ccccc12 ZINC000660115984 436589992 /nfs/dbraw/zinc/58/99/92/436589992.db2.gz FUSSFIQGPMIDJJ-UHFFFAOYSA-N 2 1 314.458 3.366 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nsc2ccccc12 ZINC000660115984 436589995 /nfs/dbraw/zinc/58/99/95/436589995.db2.gz FUSSFIQGPMIDJJ-UHFFFAOYSA-N 2 1 314.458 3.366 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000660127876 436593914 /nfs/dbraw/zinc/59/39/14/436593914.db2.gz FVTNEDGQJHYAAI-AWEZNQCLSA-N 2 1 317.458 3.010 20 0 DGADMP CN(Cc1cncs1)[C@@H]1CCC[N@H+](Cc2cncs2)CC1 ZINC000660126545 436594008 /nfs/dbraw/zinc/59/40/08/436594008.db2.gz XFLDGAZRCGGIIX-CYBMUJFWSA-N 2 1 322.503 3.086 20 0 DGADMP CN(Cc1cncs1)[C@@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000660126545 436594011 /nfs/dbraw/zinc/59/40/11/436594011.db2.gz XFLDGAZRCGGIIX-CYBMUJFWSA-N 2 1 322.503 3.086 20 0 DGADMP Cc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000660167148 436598269 /nfs/dbraw/zinc/59/82/69/436598269.db2.gz ZNIACYXHYQVQGA-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP Cc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000660167148 436598270 /nfs/dbraw/zinc/59/82/70/436598270.db2.gz ZNIACYXHYQVQGA-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)cn2)CC1)CC(C)C ZINC000660171146 436600408 /nfs/dbraw/zinc/60/04/08/436600408.db2.gz IUWWAVKCVFQEKB-UHFFFAOYSA-N 2 1 306.498 3.000 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189420 436602131 /nfs/dbraw/zinc/60/21/31/436602131.db2.gz ZYPTVCLKZLWZON-OALUTQOASA-N 2 1 322.468 3.348 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189420 436602133 /nfs/dbraw/zinc/60/21/33/436602133.db2.gz ZYPTVCLKZLWZON-OALUTQOASA-N 2 1 322.468 3.348 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)c1ccccc1 ZINC000660210996 436606512 /nfs/dbraw/zinc/60/65/12/436606512.db2.gz HHPBODDWJGGDLD-QZTJIDSGSA-N 2 1 306.494 3.034 20 0 DGADMP Cc1nccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000664562410 436618260 /nfs/dbraw/zinc/61/82/60/436618260.db2.gz GNHAUBPCZIZMNF-GOSISDBHSA-N 2 1 322.456 3.499 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1 ZINC000166266772 312693914 /nfs/dbraw/zinc/69/39/14/312693914.db2.gz QQSVYJAJLXWRAW-LIRRHRJNSA-N 2 1 312.461 3.172 20 0 DGADMP CCOCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377197835 313028538 /nfs/dbraw/zinc/02/85/38/313028538.db2.gz NREHIPSDPGTLOK-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000530219819 313341959 /nfs/dbraw/zinc/34/19/59/313341959.db2.gz KKSRNPDDETVIKT-LLVKDONJSA-N 2 1 312.392 3.316 20 0 DGADMP FC(F)(F)c1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000530233743 313344357 /nfs/dbraw/zinc/34/43/57/313344357.db2.gz ZZPOAYYVGUTZCE-CYBMUJFWSA-N 2 1 312.379 3.453 20 0 DGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530460281 313372942 /nfs/dbraw/zinc/37/29/42/313372942.db2.gz GZQYGWWMMFHTSY-KRWDZBQOSA-N 2 1 303.475 3.369 20 0 DGADMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000530631263 313390900 /nfs/dbraw/zinc/39/09/00/313390900.db2.gz PVTBHWTXCISMHA-UHFFFAOYSA-N 2 1 304.478 3.290 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665836 313393866 /nfs/dbraw/zinc/39/38/66/313393866.db2.gz DLFOMRUOQGFDOR-OCCSQVGLSA-N 2 1 324.852 3.373 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665836 313393870 /nfs/dbraw/zinc/39/38/70/313393870.db2.gz DLFOMRUOQGFDOR-OCCSQVGLSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665836 313393871 /nfs/dbraw/zinc/39/38/71/313393871.db2.gz DLFOMRUOQGFDOR-OCCSQVGLSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665836 313393875 /nfs/dbraw/zinc/39/38/75/313393875.db2.gz DLFOMRUOQGFDOR-OCCSQVGLSA-N 2 1 324.852 3.373 20 0 DGADMP CC[C@]1(C)CC[N@@H+](CC2(C[NH+]3CC[C@](C)(CC)C3)COC2)C1 ZINC000542002425 314052210 /nfs/dbraw/zinc/05/22/10/314052210.db2.gz HEZFQOFAQJYMJA-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP CC[C@]1(C)CC[NH+](CC2(C[N@@H+]3CC[C@](C)(CC)C3)COC2)C1 ZINC000542002425 314052212 /nfs/dbraw/zinc/05/22/12/314052212.db2.gz HEZFQOFAQJYMJA-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP CC[C@]1(C)CC[NH+](CC2(C[N@H+]3CC[C@](C)(CC)C3)COC2)C1 ZINC000542002425 314052215 /nfs/dbraw/zinc/05/22/15/314052215.db2.gz HEZFQOFAQJYMJA-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP CC[C@]1(C)CC[NH+](CC2(C[N@@H+]3CC[C@@](C)(CC)C3)COC2)C1 ZINC000542002426 314052413 /nfs/dbraw/zinc/05/24/13/314052413.db2.gz HEZFQOFAQJYMJA-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCCN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000542671778 314090164 /nfs/dbraw/zinc/09/01/64/314090164.db2.gz VQUJBEXWSWFTLQ-LJQANCHMSA-N 2 1 319.493 3.046 20 0 DGADMP CC(C)Cn1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000543079590 314112957 /nfs/dbraw/zinc/11/29/57/314112957.db2.gz KWOULXCISMZZCY-UHFFFAOYSA-N 2 1 306.498 3.091 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CCC2)cc1 ZINC000544373852 314188625 /nfs/dbraw/zinc/18/86/25/314188625.db2.gz UKIMCCQDAAMGFZ-GPMSIDNRSA-N 2 1 316.489 3.435 20 0 DGADMP CC[C@H](C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)[NH+]1CCCC1 ZINC000545601912 314259157 /nfs/dbraw/zinc/25/91/57/314259157.db2.gz PLVIBXXDHVUYOX-DOTOQJQBSA-N 2 1 322.468 3.477 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867194 314271082 /nfs/dbraw/zinc/27/10/82/314271082.db2.gz NRSXLAURXNIYGJ-UZLBHIALSA-N 2 1 316.489 3.452 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867194 314271085 /nfs/dbraw/zinc/27/10/85/314271085.db2.gz NRSXLAURXNIYGJ-UZLBHIALSA-N 2 1 316.489 3.452 20 0 DGADMP CC(C)CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000549237754 314500797 /nfs/dbraw/zinc/50/07/97/314500797.db2.gz YSDAAHNIYMSZAL-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000556156349 314746221 /nfs/dbraw/zinc/74/62/21/314746221.db2.gz QYJBEJMUBSTGBY-XEMDLRDOSA-N 2 1 316.489 3.239 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)[C@H](C)C1 ZINC000562318247 315009297 /nfs/dbraw/zinc/00/92/97/315009297.db2.gz OWGTYOLGKVLQQF-BEFAXECRSA-N 2 1 308.510 3.149 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@H](CC2CC2)c2ccccc2)CC1(C)C ZINC000562525147 315027414 /nfs/dbraw/zinc/02/74/14/315027414.db2.gz BBXIVNXLFAIGDV-LJQANCHMSA-N 2 1 315.505 3.143 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000562958773 315065095 /nfs/dbraw/zinc/06/50/95/315065095.db2.gz UHJBNSQNBVFMNK-BHYGNILZSA-N 2 1 309.885 3.050 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)C1 ZINC000563135616 315082562 /nfs/dbraw/zinc/08/25/62/315082562.db2.gz RPUQWKPDQQGUKZ-OXJNMPFZSA-N 3 1 315.505 3.278 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000563350833 315104774 /nfs/dbraw/zinc/10/47/74/315104774.db2.gz ZVZAMTHGNLIRNF-RDJZCZTQSA-N 2 1 320.440 3.313 20 0 DGADMP CN(CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000563954062 315150022 /nfs/dbraw/zinc/15/00/22/315150022.db2.gz IAFKYPCRGXPQCA-DFNIBXOVSA-N 2 1 301.478 3.070 20 0 DGADMP CN(CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000563954062 315150024 /nfs/dbraw/zinc/15/00/24/315150024.db2.gz IAFKYPCRGXPQCA-DFNIBXOVSA-N 2 1 301.478 3.070 20 0 DGADMP CN(CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000563954062 315150026 /nfs/dbraw/zinc/15/00/26/315150026.db2.gz IAFKYPCRGXPQCA-DFNIBXOVSA-N 2 1 301.478 3.070 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCC[NH2+]C(C)C)cnn1-c1ccc(F)cc1 ZINC000564440495 315176504 /nfs/dbraw/zinc/17/65/04/315176504.db2.gz NSHLHNSMVVXWQL-AWEZNQCLSA-N 2 1 318.440 3.359 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000564793509 315200599 /nfs/dbraw/zinc/20/05/99/315200599.db2.gz WDNRKDSYNCNTLC-WBAXXEDZSA-N 2 1 321.896 3.194 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000564973818 315216213 /nfs/dbraw/zinc/21/62/13/315216213.db2.gz UDTWYOVFVQTSDX-JKSUJKDBSA-N 2 1 313.470 3.160 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000564973818 315216214 /nfs/dbraw/zinc/21/62/14/315216214.db2.gz UDTWYOVFVQTSDX-JKSUJKDBSA-N 2 1 313.470 3.160 20 0 DGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000565157541 315235251 /nfs/dbraw/zinc/23/52/51/315235251.db2.gz OFWJBSWPTQLZIP-DLBZAZTESA-N 2 1 307.482 3.268 20 0 DGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000565157541 315235253 /nfs/dbraw/zinc/23/52/53/315235253.db2.gz OFWJBSWPTQLZIP-DLBZAZTESA-N 2 1 307.482 3.268 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H](C)C[NH+]2CCCC2)c2ccccn21 ZINC000566336077 315336298 /nfs/dbraw/zinc/33/62/98/315336298.db2.gz PVBWIKXZSVWCJQ-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417307 315342655 /nfs/dbraw/zinc/34/26/55/315342655.db2.gz XBFUJWRZCOUNKK-SJORKVTESA-N 2 1 310.869 3.083 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417307 315342657 /nfs/dbraw/zinc/34/26/57/315342657.db2.gz XBFUJWRZCOUNKK-SJORKVTESA-N 2 1 310.869 3.083 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ncc(-c2ccccc2)o1 ZINC000568648724 315526942 /nfs/dbraw/zinc/52/69/42/315526942.db2.gz CYFDVPHEZSUSCV-CQSZACIVSA-N 2 1 310.401 3.359 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000570981537 315688471 /nfs/dbraw/zinc/68/84/71/315688471.db2.gz QGETVELVEQEUTP-IRXDYDNUSA-N 2 1 305.466 3.070 20 0 DGADMP CC(C)c1[nH+]c(CNC2CC[NH+](C(C)C)CC2)c2ccccn21 ZINC000572125891 315769300 /nfs/dbraw/zinc/76/93/00/315769300.db2.gz NLYQLLVBCMEEMG-UHFFFAOYSA-N 2 1 314.477 3.420 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251244 316045936 /nfs/dbraw/zinc/04/59/36/316045936.db2.gz AMBGHZOYYKVLFC-YXJHDRRASA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251244 316045937 /nfs/dbraw/zinc/04/59/37/316045937.db2.gz AMBGHZOYYKVLFC-YXJHDRRASA-N 2 1 322.880 3.021 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000576000114 316084663 /nfs/dbraw/zinc/08/46/63/316084663.db2.gz UZGJZCJXMUHOBJ-INIZCTEOSA-N 2 1 319.474 3.095 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000576000114 316084667 /nfs/dbraw/zinc/08/46/67/316084667.db2.gz UZGJZCJXMUHOBJ-INIZCTEOSA-N 2 1 319.474 3.095 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000577028150 316193838 /nfs/dbraw/zinc/19/38/38/316193838.db2.gz DVPZKCVSZKJZFX-KLHKWILBSA-N 2 1 312.498 3.208 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000577028150 316193842 /nfs/dbraw/zinc/19/38/42/316193842.db2.gz DVPZKCVSZKJZFX-KLHKWILBSA-N 2 1 312.498 3.208 20 0 DGADMP COc1cccc2c1CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000577048248 316195946 /nfs/dbraw/zinc/19/59/46/316195946.db2.gz MXSCHYMTMGRNMK-OKZBNKHCSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000577048248 316195947 /nfs/dbraw/zinc/19/59/47/316195947.db2.gz MXSCHYMTMGRNMK-OKZBNKHCSA-N 2 1 300.446 3.289 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)[C@@H](C)C1 ZINC000577917573 316284120 /nfs/dbraw/zinc/28/41/20/316284120.db2.gz JMUMRPGHTVAIAB-QFBILLFUSA-N 2 1 316.489 3.437 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000183024298 323320274 /nfs/dbraw/zinc/32/02/74/323320274.db2.gz DRCJWZVFYRXXRQ-YSTOQKLRSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H]1CCCC[C@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000183741376 323347446 /nfs/dbraw/zinc/34/74/46/323347446.db2.gz SMXGVAXEELAQTA-ROUUACIJSA-N 2 1 308.510 3.437 20 0 DGADMP C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731044 323394378 /nfs/dbraw/zinc/39/43/78/323394378.db2.gz MWLVUDOARLGVRZ-HOTGVXAUSA-N 2 1 324.509 3.351 20 0 DGADMP Cc1nccn1CCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755001 323394943 /nfs/dbraw/zinc/39/49/43/323394943.db2.gz QYOMCQPIQUGTLT-AEFFLSMTSA-N 2 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755001 323394950 /nfs/dbraw/zinc/39/49/50/323394950.db2.gz QYOMCQPIQUGTLT-AEFFLSMTSA-N 3 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755001 323394957 /nfs/dbraw/zinc/39/49/57/323394957.db2.gz QYOMCQPIQUGTLT-AEFFLSMTSA-N 3 1 318.509 3.214 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000185870137 323397739 /nfs/dbraw/zinc/39/77/39/323397739.db2.gz BEKJDBUJBWEPPV-ROUUACIJSA-N 2 1 304.478 3.336 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000579863701 323929076 /nfs/dbraw/zinc/92/90/76/323929076.db2.gz JOMISTBPQQMCGZ-KURKYZTESA-N 2 1 324.896 3.268 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1OCc1ccccc1 ZINC000580551385 324010662 /nfs/dbraw/zinc/01/06/62/324010662.db2.gz LZYGJFKUVYYVRS-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP CN(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000580771777 324037557 /nfs/dbraw/zinc/03/75/57/324037557.db2.gz OGDBVTAXFJSHKH-UHFFFAOYSA-N 2 1 315.505 3.463 20 0 DGADMP CS[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000581291828 324100158 /nfs/dbraw/zinc/10/01/58/324100158.db2.gz DEPTWEVLWUYMTP-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000581645604 324139824 /nfs/dbraw/zinc/13/98/24/324139824.db2.gz KGPAKIMBNBRXCR-CMNJNXTGSA-N 2 1 316.489 3.257 20 0 DGADMP CCC[N@@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)C(C)C ZINC000582554088 324245229 /nfs/dbraw/zinc/24/52/29/324245229.db2.gz BQRLWDDKSJMAMF-MRXNPFEDSA-N 2 1 303.450 3.134 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000582663123 324259355 /nfs/dbraw/zinc/25/93/55/324259355.db2.gz KXVUNVCLPOEZSA-HNNXBMFYSA-N 2 1 303.450 3.129 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000582663124 324259413 /nfs/dbraw/zinc/25/94/13/324259413.db2.gz KXVUNVCLPOEZSA-OAHLLOKOSA-N 2 1 303.450 3.129 20 0 DGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932845 324292473 /nfs/dbraw/zinc/29/24/73/324292473.db2.gz VHNCOTKDAHLAQE-XJKSGUPXSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932845 324292478 /nfs/dbraw/zinc/29/24/78/324292478.db2.gz VHNCOTKDAHLAQE-XJKSGUPXSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932845 324292486 /nfs/dbraw/zinc/29/24/86/324292486.db2.gz VHNCOTKDAHLAQE-XJKSGUPXSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932845 324292492 /nfs/dbraw/zinc/29/24/92/324292492.db2.gz VHNCOTKDAHLAQE-XJKSGUPXSA-N 2 1 312.404 3.103 20 0 DGADMP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032402 324304748 /nfs/dbraw/zinc/30/47/48/324304748.db2.gz NFFIKQZRSHBGQX-HNAYVOBHSA-N 2 1 313.445 3.444 20 0 DGADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032402 324304751 /nfs/dbraw/zinc/30/47/51/324304751.db2.gz NFFIKQZRSHBGQX-HNAYVOBHSA-N 2 1 313.445 3.444 20 0 DGADMP C=Cn1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000583421163 324351728 /nfs/dbraw/zinc/35/17/28/324351728.db2.gz KTCYZDZXILJSBR-MJGOQNOKSA-N 2 1 324.472 3.374 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468173 324357149 /nfs/dbraw/zinc/35/71/49/324357149.db2.gz JZGKRRHRAZZGTA-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468173 324357154 /nfs/dbraw/zinc/35/71/54/324357154.db2.gz JZGKRRHRAZZGTA-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468173 324357159 /nfs/dbraw/zinc/35/71/59/324357159.db2.gz JZGKRRHRAZZGTA-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468173 324357163 /nfs/dbraw/zinc/35/71/63/324357163.db2.gz JZGKRRHRAZZGTA-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP CC(C)CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000584492992 337350050 /nfs/dbraw/zinc/35/00/50/337350050.db2.gz BEOBVZIFMONTHQ-QGZVFWFLSA-N 2 1 311.558 3.453 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CC2 ZINC000414832537 500857406 /nfs/dbraw/zinc/85/74/06/500857406.db2.gz DSNYOQNZGISZCM-PKOBYXMFSA-N 2 1 302.462 3.050 20 0 DGADMP COc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000294920866 533769912 /nfs/dbraw/zinc/76/99/12/533769912.db2.gz GUZDVAHNIMPWIB-LSDHHAIUSA-N 2 1 308.853 3.108 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946465 533904537 /nfs/dbraw/zinc/90/45/37/533904537.db2.gz DMAAHMBMRHBJCV-FUHWJXTLSA-N 2 1 312.461 3.363 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946465 533904541 /nfs/dbraw/zinc/90/45/41/533904541.db2.gz DMAAHMBMRHBJCV-FUHWJXTLSA-N 2 1 312.461 3.363 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000415118643 534042644 /nfs/dbraw/zinc/04/26/44/534042644.db2.gz DUFYIUPRMPXREI-UKRRQHHQSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccc(Cl)cc1 ZINC000428562705 534065523 /nfs/dbraw/zinc/06/55/23/534065523.db2.gz GUFILWLMYZUXNG-ZDUSSCGKSA-N 2 1 319.836 3.358 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429438017 534082960 /nfs/dbraw/zinc/08/29/60/534082960.db2.gz QVPLLUYVOUWJER-VWPFQQQWSA-N 2 1 310.869 3.426 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429438019 534082996 /nfs/dbraw/zinc/08/29/96/534082996.db2.gz QVPLLUYVOUWJER-XJIUQZFPSA-N 2 1 310.869 3.426 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[NH2+]C1 ZINC000415087018 534177181 /nfs/dbraw/zinc/17/71/81/534177181.db2.gz SWHDYNYSFGDQEG-SFHVURJKSA-N 2 1 315.392 3.102 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000428880008 534420586 /nfs/dbraw/zinc/42/05/86/534420586.db2.gz IVJRCCZRVGAWPT-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000428880008 534420590 /nfs/dbraw/zinc/42/05/90/534420590.db2.gz IVJRCCZRVGAWPT-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309711504 534447702 /nfs/dbraw/zinc/44/77/02/534447702.db2.gz JKSYFPMLHRNXBV-MRXNPFEDSA-N 2 1 314.404 3.143 20 0 DGADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309711504 534447709 /nfs/dbraw/zinc/44/77/09/534447709.db2.gz JKSYFPMLHRNXBV-MRXNPFEDSA-N 2 1 314.404 3.143 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000158124194 521707378 /nfs/dbraw/zinc/70/73/78/521707378.db2.gz SHQCENRJJPRZPC-HYVNUMGLSA-N 2 1 308.466 3.376 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000158124194 521707380 /nfs/dbraw/zinc/70/73/80/521707380.db2.gz SHQCENRJJPRZPC-HYVNUMGLSA-N 2 1 308.466 3.376 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C1CCCC1 ZINC000415067826 534677464 /nfs/dbraw/zinc/67/74/64/534677464.db2.gz PYFBQXWGBDGKMM-CQSZACIVSA-N 2 1 304.331 3.452 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000162909723 523822979 /nfs/dbraw/zinc/82/29/79/523822979.db2.gz HOZPEUKGCUURLC-NVXWUHKLSA-N 2 1 316.445 3.079 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000162909723 523822985 /nfs/dbraw/zinc/82/29/85/523822985.db2.gz HOZPEUKGCUURLC-NVXWUHKLSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000162909723 523822989 /nfs/dbraw/zinc/82/29/89/523822989.db2.gz HOZPEUKGCUURLC-NVXWUHKLSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000162909723 523822997 /nfs/dbraw/zinc/82/29/97/523822997.db2.gz HOZPEUKGCUURLC-NVXWUHKLSA-N 2 1 316.445 3.079 20 0 DGADMP Cc1ncc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)s1 ZINC000297605012 534738050 /nfs/dbraw/zinc/73/80/50/534738050.db2.gz KEMKHQBLYXTOOY-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP Cn1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309977769 534767623 /nfs/dbraw/zinc/76/76/23/534767623.db2.gz SJQIKGPYLGEIBE-IBGZPJMESA-N 2 1 311.473 3.417 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157544666 524859109 /nfs/dbraw/zinc/85/91/09/524859109.db2.gz MNCXWZMHKZJHNO-STQMWFEESA-N 2 1 303.837 3.447 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cncs3)CC2)[nH+]c1 ZINC000163479156 524942225 /nfs/dbraw/zinc/94/22/25/524942225.db2.gz PUSUWMLEUZATNR-CYBMUJFWSA-N 2 1 302.447 3.166 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000415044693 526620191 /nfs/dbraw/zinc/62/01/91/526620191.db2.gz AZBINYNXCIBSFV-GFCCVEGCSA-N 2 1 306.784 3.404 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000443059299 527170953 /nfs/dbraw/zinc/17/09/53/527170953.db2.gz MIIKETIVRWQEOI-KRWDZBQOSA-N 2 1 302.462 3.375 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000317251033 527773854 /nfs/dbraw/zinc/77/38/54/527773854.db2.gz NLMUOSQJCMRNKK-DLBZAZTESA-N 2 1 300.446 3.117 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689291 527838306 /nfs/dbraw/zinc/83/83/06/527838306.db2.gz CKNPBPJGKQRHPZ-DOTOQJQBSA-N 2 1 316.445 3.130 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689291 527838314 /nfs/dbraw/zinc/83/83/14/527838314.db2.gz CKNPBPJGKQRHPZ-DOTOQJQBSA-N 2 1 316.445 3.130 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689291 527838319 /nfs/dbraw/zinc/83/83/19/527838319.db2.gz CKNPBPJGKQRHPZ-DOTOQJQBSA-N 2 1 316.445 3.130 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689291 527838323 /nfs/dbraw/zinc/83/83/23/527838323.db2.gz CKNPBPJGKQRHPZ-DOTOQJQBSA-N 2 1 316.445 3.130 20 0 DGADMP CCC[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441371570 528151271 /nfs/dbraw/zinc/15/12/71/528151271.db2.gz MCEZVINYIUGKLY-LJQANCHMSA-N 2 1 317.521 3.186 20 0 DGADMP CC(C)C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccs1 ZINC000442877150 528571956 /nfs/dbraw/zinc/57/19/56/528571956.db2.gz ZADIETOPLONXKR-INIZCTEOSA-N 2 1 323.550 3.451 20 0 DGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432449256 528585643 /nfs/dbraw/zinc/58/56/43/528585643.db2.gz UNNQWRSLTCPWNV-PKOBYXMFSA-N 2 1 304.478 3.474 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@H](CC[NH3+])C2)cccc1OCC ZINC000442925462 528613012 /nfs/dbraw/zinc/61/30/12/528613012.db2.gz VRHSGIYYVKZEGG-MRXNPFEDSA-N 2 1 320.477 3.435 20 0 DGADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415080354 528646656 /nfs/dbraw/zinc/64/66/56/528646656.db2.gz JKOXRSHJQLUOIH-ZWKOTPCHSA-N 2 1 304.478 3.258 20 0 DGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056143 528667286 /nfs/dbraw/zinc/66/72/86/528667286.db2.gz ROGGHJHNUPQPLZ-GDBMZVCRSA-N 2 1 307.507 3.306 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056143 528667292 /nfs/dbraw/zinc/66/72/92/528667292.db2.gz ROGGHJHNUPQPLZ-GDBMZVCRSA-N 2 1 307.507 3.306 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415132320 528673482 /nfs/dbraw/zinc/67/34/82/528673482.db2.gz TZPQMUBGYKZMLA-DOTOQJQBSA-N 2 1 320.477 3.291 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415061842 528677597 /nfs/dbraw/zinc/67/75/97/528677597.db2.gz YUXSYBUZYSDGNU-QGZVFWFLSA-N 2 1 308.466 3.337 20 0 DGADMP CC[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435382676 528768486 /nfs/dbraw/zinc/76/84/86/528768486.db2.gz FBNJSDYRHILTBK-HNNXBMFYSA-N 2 1 302.418 3.405 20 0 DGADMP CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435382281 528787662 /nfs/dbraw/zinc/78/76/62/528787662.db2.gz CWWXWTVGCLILQQ-CYBMUJFWSA-N 2 1 316.367 3.391 20 0 DGADMP CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435385016 528788527 /nfs/dbraw/zinc/78/85/27/528788527.db2.gz PGDMWEGDVWCZCK-QGZVFWFLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442916865 528825074 /nfs/dbraw/zinc/82/50/74/528825074.db2.gz DWDJRSHWARWUNZ-OAHLLOKOSA-N 2 1 300.450 3.007 20 0 DGADMP CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435379326 528870066 /nfs/dbraw/zinc/87/00/66/528870066.db2.gz IQCVPGJGERDPKM-HNNXBMFYSA-N 2 1 316.474 3.169 20 0 DGADMP CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435379326 528870067 /nfs/dbraw/zinc/87/00/67/528870067.db2.gz IQCVPGJGERDPKM-HNNXBMFYSA-N 2 1 316.474 3.169 20 0 DGADMP CC[N@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435396388 528889601 /nfs/dbraw/zinc/88/96/01/528889601.db2.gz YNWZDHRMOXHKEG-LBPRGKRZSA-N 2 1 301.356 3.064 20 0 DGADMP CC[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435396388 528889608 /nfs/dbraw/zinc/88/96/08/528889608.db2.gz YNWZDHRMOXHKEG-LBPRGKRZSA-N 2 1 301.356 3.064 20 0 DGADMP CC1(C)CC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC(C)(C)[NH2+]1 ZINC000331885109 528890386 /nfs/dbraw/zinc/89/03/86/528890386.db2.gz GRTRRNYQTFQCST-UHFFFAOYSA-N 2 1 302.422 3.069 20 0 DGADMP CC(C)[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000432726593 529072597 /nfs/dbraw/zinc/07/25/97/529072597.db2.gz FRNDBLAPHPVTRS-INIZCTEOSA-N 2 1 314.433 3.378 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000428463041 529084060 /nfs/dbraw/zinc/08/40/60/529084060.db2.gz VHCMQCWZUFFECQ-ZFWWWQNUSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000428463041 529084067 /nfs/dbraw/zinc/08/40/67/529084067.db2.gz VHCMQCWZUFFECQ-ZFWWWQNUSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000428463041 529084072 /nfs/dbraw/zinc/08/40/72/529084072.db2.gz VHCMQCWZUFFECQ-ZFWWWQNUSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000428463041 529084073 /nfs/dbraw/zinc/08/40/73/529084073.db2.gz VHCMQCWZUFFECQ-ZFWWWQNUSA-N 2 1 305.491 3.284 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000295025240 529204562 /nfs/dbraw/zinc/20/45/62/529204562.db2.gz NZQNVEZXXKZWBW-AKHDSKFASA-N 2 1 316.489 3.321 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000309671512 529328651 /nfs/dbraw/zinc/32/86/51/529328651.db2.gz HYTZJIRFTWBLLA-MOPGFXCFSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1C ZINC000297360797 529360961 /nfs/dbraw/zinc/36/09/61/529360961.db2.gz FSRZCYQEZJHTIS-GOSISDBHSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000451132013 534930808 /nfs/dbraw/zinc/93/08/08/534930808.db2.gz UDSFAUXIJDLACS-RTBURBONSA-N 2 1 309.542 3.209 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449133626 535176496 /nfs/dbraw/zinc/17/64/96/535176496.db2.gz ZAPYIICBYGHAAW-MRXNPFEDSA-N 2 1 304.482 3.208 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449133626 535176501 /nfs/dbraw/zinc/17/65/01/535176501.db2.gz ZAPYIICBYGHAAW-MRXNPFEDSA-N 2 1 304.482 3.208 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1OC ZINC000493602324 535577103 /nfs/dbraw/zinc/57/71/03/535577103.db2.gz MYLPJTJFISSDKQ-IRXDYDNUSA-N 2 1 320.477 3.391 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449636104 536011099 /nfs/dbraw/zinc/01/10/99/536011099.db2.gz CVZQKZYHPKOBHM-YHDCXSKOSA-N 2 1 316.489 3.036 20 0 DGADMP CCc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470965176 536170885 /nfs/dbraw/zinc/17/08/85/536170885.db2.gz BHXHFCYVHIMKGG-FQEVSTJZSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccc(CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470965176 536170888 /nfs/dbraw/zinc/17/08/88/536170888.db2.gz BHXHFCYVHIMKGG-FQEVSTJZSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccc(CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470965176 536170891 /nfs/dbraw/zinc/17/08/91/536170891.db2.gz BHXHFCYVHIMKGG-FQEVSTJZSA-N 2 1 300.490 3.455 20 0 DGADMP COc1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459485322 537012621 /nfs/dbraw/zinc/01/26/21/537012621.db2.gz VFRAHBRODSVQBP-UHFFFAOYSA-N 2 1 314.473 3.333 20 0 DGADMP CC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168069 545823446 /nfs/dbraw/zinc/82/34/46/545823446.db2.gz YQZMTLBEXVXXCK-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(CO)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090656810 545831647 /nfs/dbraw/zinc/83/16/47/545831647.db2.gz PETYISDXKFJZSD-IPMKNSEASA-N 2 1 316.489 3.005 20 0 DGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccn1 ZINC000093338665 545856779 /nfs/dbraw/zinc/85/67/79/545856779.db2.gz UNXZEGLZKAUOGJ-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP CCn1nccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000119495615 545880301 /nfs/dbraw/zinc/88/03/01/545880301.db2.gz XJWMPEXOHNGJFO-SJLPKXTDSA-N 2 1 312.461 3.046 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000120695779 545887722 /nfs/dbraw/zinc/88/77/22/545887722.db2.gz AIGLVAJJEOEFGC-WFASDCNBSA-N 2 1 305.853 3.436 20 0 DGADMP CCC[NH+]1CCC(NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000123873628 545909511 /nfs/dbraw/zinc/90/95/11/545909511.db2.gz TWSSPTPLZRWANM-UHFFFAOYSA-N 2 1 303.494 3.102 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000123873628 545909516 /nfs/dbraw/zinc/90/95/16/545909516.db2.gz TWSSPTPLZRWANM-UHFFFAOYSA-N 3 1 303.494 3.102 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000123873628 545909525 /nfs/dbraw/zinc/90/95/25/545909525.db2.gz TWSSPTPLZRWANM-UHFFFAOYSA-N 3 1 303.494 3.102 20 0 DGADMP C[N@@H+](Cc1ccco1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000162183665 546077443 /nfs/dbraw/zinc/07/74/43/546077443.db2.gz XKIKNVVKWBKXEE-UHFFFAOYSA-N 2 1 314.429 3.386 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166605298 546095977 /nfs/dbraw/zinc/09/59/77/546095977.db2.gz PWEUYLGJUXEELX-YTQUADARSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000177815679 546124129 /nfs/dbraw/zinc/12/41/29/546124129.db2.gz WNBSMAMZGDXXSS-DOTOQJQBSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000177815679 546124130 /nfs/dbraw/zinc/12/41/30/546124130.db2.gz WNBSMAMZGDXXSS-DOTOQJQBSA-N 2 1 304.478 3.435 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180337294 546144855 /nfs/dbraw/zinc/14/48/55/546144855.db2.gz UOEPNZZMWCECRK-UKRRQHHQSA-N 2 1 318.490 3.342 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180337294 546144857 /nfs/dbraw/zinc/14/48/57/546144857.db2.gz UOEPNZZMWCECRK-UKRRQHHQSA-N 2 1 318.490 3.342 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000180697186 546147861 /nfs/dbraw/zinc/14/78/61/546147861.db2.gz WRXSPYBKSGETJY-HUUCEWRRSA-N 2 1 300.450 3.279 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000180697186 546147862 /nfs/dbraw/zinc/14/78/62/546147862.db2.gz WRXSPYBKSGETJY-HUUCEWRRSA-N 2 1 300.450 3.279 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000185116576 546186905 /nfs/dbraw/zinc/18/69/05/546186905.db2.gz SRMIUNFZIPMVLY-HWWITLHISA-N 2 1 320.521 3.028 20 0 DGADMP Cc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc(C)[nH+]1 ZINC000189536978 546212590 /nfs/dbraw/zinc/21/25/90/546212590.db2.gz HUUOUMFKFXGVLU-AWEZNQCLSA-N 2 1 311.433 3.126 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000220774446 546265481 /nfs/dbraw/zinc/26/54/81/546265481.db2.gz NIZGFLMRVBECKH-LBPRGKRZSA-N 2 1 302.340 3.146 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220774098 546265868 /nfs/dbraw/zinc/26/58/68/546265868.db2.gz ZBRJJSIUJYYXFX-CYBMUJFWSA-N 2 1 302.340 3.289 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237123236 546283564 /nfs/dbraw/zinc/28/35/64/546283564.db2.gz XLVQFIIHTMLVSV-RTBURBONSA-N 2 1 302.462 3.198 20 0 DGADMP COCC[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271378576 546355482 /nfs/dbraw/zinc/35/54/82/546355482.db2.gz SNKOLXQDXMRDRF-INIZCTEOSA-N 2 1 305.466 3.045 20 0 DGADMP Cc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000280527555 546382873 /nfs/dbraw/zinc/38/28/73/546382873.db2.gz IETMKFDTWJALEZ-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000286172187 546401132 /nfs/dbraw/zinc/40/11/32/546401132.db2.gz QMBXNDYDSZJMDN-WKXIVMOISA-N 2 1 314.473 3.339 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339073903 546533456 /nfs/dbraw/zinc/53/34/56/546533456.db2.gz GQCCQIFTJYXKJY-CABCVRRESA-N 2 1 310.388 3.313 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339073903 546533463 /nfs/dbraw/zinc/53/34/63/546533463.db2.gz GQCCQIFTJYXKJY-CABCVRRESA-N 2 1 310.388 3.313 20 0 DGADMP C[C@H](OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339070603 546533680 /nfs/dbraw/zinc/53/36/80/546533680.db2.gz NHOFMCMOFUSHBW-WDSOQIARSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000343081652 546561268 /nfs/dbraw/zinc/56/12/68/546561268.db2.gz BHQAJHGCGZUUPK-VQIMIIECSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccnn1-c1ccccc1)C[NH+]1CCCC1 ZINC000343495384 546564999 /nfs/dbraw/zinc/56/49/99/546564999.db2.gz PTELNHDGQJKFEM-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCc1cc(NCc2cccc(C[NH+](CC)CC)c2)nc(C)[nH+]1 ZINC000359719891 546711185 /nfs/dbraw/zinc/71/11/85/546711185.db2.gz ULMXUVPMPKYUMG-UHFFFAOYSA-N 2 1 312.461 3.223 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381097666 546737102 /nfs/dbraw/zinc/73/71/02/546737102.db2.gz YTIJVEXNDRYFSB-HSALFYBXSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000386521547 546745768 /nfs/dbraw/zinc/74/57/68/546745768.db2.gz UYROZBCHXSMVEW-YJBOKZPZSA-N 2 1 304.503 3.177 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390817372 546755312 /nfs/dbraw/zinc/75/53/12/546755312.db2.gz OCHYYLYRZBFWQO-VQIMIIECSA-N 2 1 310.441 3.392 20 0 DGADMP OC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411766817 546772642 /nfs/dbraw/zinc/77/26/42/546772642.db2.gz DCSFAUXRWSZZAT-FQEVSTJZSA-N 2 1 316.489 3.267 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000414171187 546781579 /nfs/dbraw/zinc/78/15/79/546781579.db2.gz CSTNSCZRAMSBPE-YOEHRIQHSA-N 2 1 318.461 3.013 20 0 DGADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414931308 546791595 /nfs/dbraw/zinc/79/15/95/546791595.db2.gz ULPCRLMUGVFJMH-HUUCEWRRSA-N 2 1 301.459 3.478 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420320268 546805149 /nfs/dbraw/zinc/80/51/49/546805149.db2.gz BCMZAOMOQPQVAS-HOTGVXAUSA-N 2 1 320.502 3.109 20 0 DGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453312392 546858596 /nfs/dbraw/zinc/85/85/96/546858596.db2.gz QRLWQBLHDTYITR-UYAOXDASSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453312392 546858601 /nfs/dbraw/zinc/85/86/01/546858601.db2.gz QRLWQBLHDTYITR-UYAOXDASSA-N 2 1 309.457 3.358 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453290871 546858962 /nfs/dbraw/zinc/85/89/62/546858962.db2.gz NLLXACCYJULGPU-AITUJVMLSA-N 2 1 304.478 3.473 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453290871 546858964 /nfs/dbraw/zinc/85/89/64/546858964.db2.gz NLLXACCYJULGPU-AITUJVMLSA-N 2 1 304.478 3.473 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000453394256 546860248 /nfs/dbraw/zinc/86/02/48/546860248.db2.gz ZXGHOZXUFVJCRR-WDSOQIARSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000453394256 546860253 /nfs/dbraw/zinc/86/02/53/546860253.db2.gz ZXGHOZXUFVJCRR-WDSOQIARSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000453407104 546861488 /nfs/dbraw/zinc/86/14/88/546861488.db2.gz DGHNFMKZANCZSI-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000453407104 546861490 /nfs/dbraw/zinc/86/14/90/546861490.db2.gz DGHNFMKZANCZSI-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc21 ZINC000479944518 546909526 /nfs/dbraw/zinc/90/95/26/546909526.db2.gz ZDNYIXCLOUUXOC-CALCHBBNSA-N 2 1 319.452 3.466 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479958493 546909543 /nfs/dbraw/zinc/90/95/43/546909543.db2.gz CFCYRIHAXOSZLM-NXHRZFHOSA-N 2 1 300.490 3.314 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000481022254 546910019 /nfs/dbraw/zinc/91/00/19/546910019.db2.gz LAIQSTUYCBHBHS-XHDPSFHLSA-N 2 1 301.261 3.466 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667508061 547206951 /nfs/dbraw/zinc/20/69/51/547206951.db2.gz RPVMXVCRJXTIAO-KRWDZBQOSA-N 2 1 304.397 3.257 20 0 DGADMP c1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667508061 547206954 /nfs/dbraw/zinc/20/69/54/547206954.db2.gz RPVMXVCRJXTIAO-KRWDZBQOSA-N 2 1 304.397 3.257 20 0 DGADMP C[C@@]1(c2ccccc2)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673213 547270476 /nfs/dbraw/zinc/27/04/76/547270476.db2.gz VDDPVEAHEHLPTP-HXUWFJFHSA-N 2 1 318.424 3.431 20 0 DGADMP C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673213 547270480 /nfs/dbraw/zinc/27/04/80/547270480.db2.gz VDDPVEAHEHLPTP-HXUWFJFHSA-N 2 1 318.424 3.431 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)c1 ZINC000667819345 547312207 /nfs/dbraw/zinc/31/22/07/547312207.db2.gz UMFOMRHEZUOTRS-QGPMSJSTSA-N 2 1 320.502 3.117 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)c1 ZINC000667819345 547312209 /nfs/dbraw/zinc/31/22/09/547312209.db2.gz UMFOMRHEZUOTRS-QGPMSJSTSA-N 2 1 320.502 3.117 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)oc1C ZINC000667835957 547315844 /nfs/dbraw/zinc/31/58/44/547315844.db2.gz BIXZCZYFRQVCMU-FGTMMUONSA-N 2 1 317.477 3.282 20 0 DGADMP CCC1(CC)C[N@@H+](Cc2ccnn2-c2ccncc2)CCS1 ZINC000667994726 547356178 /nfs/dbraw/zinc/35/61/78/547356178.db2.gz NAYCMABNQRSDFG-UHFFFAOYSA-N 2 1 316.474 3.375 20 0 DGADMP c1cc(CN2Cc3ccccc3C3(CC3)C2)n(-c2ccncc2)n1 ZINC000668005282 547358630 /nfs/dbraw/zinc/35/86/30/547358630.db2.gz QYIBMABHBWLEBJ-UHFFFAOYSA-N 2 1 316.408 3.315 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172207 547403190 /nfs/dbraw/zinc/40/31/90/547403190.db2.gz HSSDCJXPAFZMBF-RHSMWYFYSA-N 2 1 318.436 3.283 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172207 547403193 /nfs/dbraw/zinc/40/31/93/547403193.db2.gz HSSDCJXPAFZMBF-RHSMWYFYSA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172207 547403197 /nfs/dbraw/zinc/40/31/97/547403197.db2.gz HSSDCJXPAFZMBF-RHSMWYFYSA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172207 547403198 /nfs/dbraw/zinc/40/31/98/547403198.db2.gz HSSDCJXPAFZMBF-RHSMWYFYSA-N 2 1 318.436 3.283 20 0 DGADMP C[C@]12C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000668227559 547422618 /nfs/dbraw/zinc/42/26/18/547422618.db2.gz NFBMVRGDSGVHGV-LVFSCSRESA-N 2 1 308.429 3.135 20 0 DGADMP C[C@]12C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000668227559 547422622 /nfs/dbraw/zinc/42/26/22/547422622.db2.gz NFBMVRGDSGVHGV-LVFSCSRESA-N 2 1 308.429 3.135 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(C)(C)C ZINC000668489971 547467215 /nfs/dbraw/zinc/46/72/15/547467215.db2.gz OPGDVMYDMJREFY-YJBOKZPZSA-N 2 1 304.478 3.025 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668706170 547514252 /nfs/dbraw/zinc/51/42/52/547514252.db2.gz QBONIYLJSSPFOQ-OALUTQOASA-N 2 1 316.489 3.113 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000668706170 547514256 /nfs/dbraw/zinc/51/42/56/547514256.db2.gz QBONIYLJSSPFOQ-OALUTQOASA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000668706170 547514261 /nfs/dbraw/zinc/51/42/61/547514261.db2.gz QBONIYLJSSPFOQ-OALUTQOASA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668706170 547514264 /nfs/dbraw/zinc/51/42/64/547514264.db2.gz QBONIYLJSSPFOQ-OALUTQOASA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668706170 547514267 /nfs/dbraw/zinc/51/42/67/547514267.db2.gz QBONIYLJSSPFOQ-OALUTQOASA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740762 547526508 /nfs/dbraw/zinc/52/65/08/547526508.db2.gz XFPJXOZGVQQKFL-MJGOQNOKSA-N 2 1 308.510 3.290 20 0 DGADMP CC[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785795 547541068 /nfs/dbraw/zinc/54/10/68/547541068.db2.gz XLQAFQOHRNGYDY-PKOBYXMFSA-N 2 1 304.478 3.223 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000669613505 547661207 /nfs/dbraw/zinc/66/12/07/547661207.db2.gz OGBNJQGCNVGPBU-DAYGRLMNSA-N 2 1 300.446 3.289 20 0 DGADMP CCCCOc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000671299363 547785475 /nfs/dbraw/zinc/78/54/75/547785475.db2.gz HYWMVRKYVRYYQA-HNNXBMFYSA-N 2 1 301.434 3.492 20 0 DGADMP Clc1ccc(-c2ncc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000671306696 547786322 /nfs/dbraw/zinc/78/63/22/547786322.db2.gz LSFKITCLBQPIKT-CHWSQXEVSA-N 2 1 319.861 3.115 20 0 DGADMP Cc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]n1 ZINC000671748156 547825765 /nfs/dbraw/zinc/82/57/65/547825765.db2.gz IBBRZZUJABIKRO-UHFFFAOYSA-N 2 1 312.461 3.251 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000673714668 547986125 /nfs/dbraw/zinc/98/61/25/547986125.db2.gz FWZGYWWUWBVDGD-IEBWSBKVSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000673714668 547986128 /nfs/dbraw/zinc/98/61/28/547986128.db2.gz FWZGYWWUWBVDGD-IEBWSBKVSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000673714668 547986131 /nfs/dbraw/zinc/98/61/31/547986131.db2.gz FWZGYWWUWBVDGD-IEBWSBKVSA-N 2 1 304.478 3.344 20 0 DGADMP Cc1cccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000674232186 548048367 /nfs/dbraw/zinc/04/83/67/548048367.db2.gz SRPXXMCUQLGZNI-UHFFFAOYSA-N 2 1 310.445 3.160 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301980 548059098 /nfs/dbraw/zinc/05/90/98/548059098.db2.gz IHOQPCOZJCVBRC-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301980 548059101 /nfs/dbraw/zinc/05/91/01/548059101.db2.gz IHOQPCOZJCVBRC-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301980 548059104 /nfs/dbraw/zinc/05/91/04/548059104.db2.gz IHOQPCOZJCVBRC-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301980 548059106 /nfs/dbraw/zinc/05/91/06/548059106.db2.gz IHOQPCOZJCVBRC-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724594 548259305 /nfs/dbraw/zinc/25/93/05/548259305.db2.gz XCEFRWXXVXNBHX-RDJZCZTQSA-N 2 1 321.534 3.205 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880869 548283010 /nfs/dbraw/zinc/28/30/10/548283010.db2.gz IBLACSGYROGZJB-FUHWJXTLSA-N 2 1 302.462 3.289 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000675881713 548283493 /nfs/dbraw/zinc/28/34/93/548283493.db2.gz MSHASDCZTXDTHP-LPHOPBHVSA-N 2 1 302.462 3.289 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882950 548284123 /nfs/dbraw/zinc/28/41/23/548284123.db2.gz VSAXDAUOIHCWAU-MJGOQNOKSA-N 2 1 318.436 3.046 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882324 548284326 /nfs/dbraw/zinc/28/43/26/548284326.db2.gz QRHGSRFSUZJCIR-XLIONFOSSA-N 2 1 316.489 3.241 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000676712903 548399162 /nfs/dbraw/zinc/39/91/62/548399162.db2.gz QSUOSZPQFUDSBL-YLJYHZDGSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000676712903 548399165 /nfs/dbraw/zinc/39/91/65/548399165.db2.gz QSUOSZPQFUDSBL-YLJYHZDGSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000676712903 548399168 /nfs/dbraw/zinc/39/91/68/548399168.db2.gz QSUOSZPQFUDSBL-YLJYHZDGSA-N 2 1 313.489 3.201 20 0 DGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000677130005 548457047 /nfs/dbraw/zinc/45/70/47/548457047.db2.gz RJIQJOOMSXRPPU-GOSISDBHSA-N 2 1 306.400 3.416 20 0 DGADMP FC(F)Oc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000677235637 548473005 /nfs/dbraw/zinc/47/30/05/548473005.db2.gz FUANVXBAQODJCR-HUUCEWRRSA-N 2 1 310.388 3.047 20 0 DGADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000677241697 548473563 /nfs/dbraw/zinc/47/35/63/548473563.db2.gz UAFRPXSUPXURTC-SLFFLAALSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000677241697 548473570 /nfs/dbraw/zinc/47/35/70/548473570.db2.gz UAFRPXSUPXURTC-SLFFLAALSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000677241697 548473572 /nfs/dbraw/zinc/47/35/72/548473572.db2.gz UAFRPXSUPXURTC-SLFFLAALSA-N 2 1 319.537 3.248 20 0 DGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237966 548474178 /nfs/dbraw/zinc/47/41/78/548474178.db2.gz SHHMBDOABXGHHK-BZSNNMDCSA-N 2 1 302.462 3.287 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000678078470 548608669 /nfs/dbraw/zinc/60/86/69/548608669.db2.gz ZUWOZOBQASUYQV-ZWKOTPCHSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678078470 548608672 /nfs/dbraw/zinc/60/86/72/548608672.db2.gz ZUWOZOBQASUYQV-ZWKOTPCHSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678078470 548608676 /nfs/dbraw/zinc/60/86/76/548608676.db2.gz ZUWOZOBQASUYQV-ZWKOTPCHSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121470 548617343 /nfs/dbraw/zinc/61/73/43/548617343.db2.gz MNYFJAHFERYERQ-MRXNPFEDSA-N 2 1 313.445 3.005 20 0 DGADMP C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121470 548617347 /nfs/dbraw/zinc/61/73/47/548617347.db2.gz MNYFJAHFERYERQ-MRXNPFEDSA-N 2 1 313.445 3.005 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000678233156 548647534 /nfs/dbraw/zinc/64/75/34/548647534.db2.gz TVUQRZISQSKUBK-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000678233156 548647538 /nfs/dbraw/zinc/64/75/38/548647538.db2.gz TVUQRZISQSKUBK-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000678233156 548647542 /nfs/dbraw/zinc/64/75/42/548647542.db2.gz TVUQRZISQSKUBK-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000678233156 548647548 /nfs/dbraw/zinc/64/75/48/548647548.db2.gz TVUQRZISQSKUBK-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678277447 548666996 /nfs/dbraw/zinc/66/69/96/548666996.db2.gz VOVJDIDTEMXJOK-IAGOWNOFSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C1CC1 ZINC000678338518 548680833 /nfs/dbraw/zinc/68/08/33/548680833.db2.gz DFJPTQMTQSTNSX-YZGWKJHDSA-N 2 1 314.473 3.248 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000678334922 548681263 /nfs/dbraw/zinc/68/12/63/548681263.db2.gz YELZHBIYFZXOBM-IRXDYDNUSA-N 2 1 302.462 3.392 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678343419 548684401 /nfs/dbraw/zinc/68/44/01/548684401.db2.gz UMFBEJJXENSUKE-KBPBESRZSA-N 2 1 300.377 3.045 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000678956869 548800719 /nfs/dbraw/zinc/80/07/19/548800719.db2.gz OPOUWHAYSFJJCG-BEFAXECRSA-N 2 1 320.452 3.162 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000679338110 548881525 /nfs/dbraw/zinc/88/15/25/548881525.db2.gz FENQGFQYBFHQCB-CVEARBPZSA-N 2 1 310.507 3.101 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000679338110 548881528 /nfs/dbraw/zinc/88/15/28/548881528.db2.gz FENQGFQYBFHQCB-CVEARBPZSA-N 2 1 310.507 3.101 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679368486 548887690 /nfs/dbraw/zinc/88/76/90/548887690.db2.gz JZUFZGMCBGQJNA-RVKKMQEKSA-N 2 1 312.461 3.279 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395970 548893097 /nfs/dbraw/zinc/89/30/97/548893097.db2.gz KSKSDQXIJVKJJS-WMZOPIPTSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395970 548893098 /nfs/dbraw/zinc/89/30/98/548893098.db2.gz KSKSDQXIJVKJJS-WMZOPIPTSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679395970 548893103 /nfs/dbraw/zinc/89/31/03/548893103.db2.gz KSKSDQXIJVKJJS-WMZOPIPTSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000679395970 548893107 /nfs/dbraw/zinc/89/31/07/548893107.db2.gz KSKSDQXIJVKJJS-WMZOPIPTSA-N 2 1 302.462 3.479 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000679720671 548943632 /nfs/dbraw/zinc/94/36/32/548943632.db2.gz WWMRCARXESUWQU-UHFFFAOYSA-N 2 1 301.821 3.240 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681392014 549202261 /nfs/dbraw/zinc/20/22/61/549202261.db2.gz NFTZQLKKUWBQRS-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ncc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074040 549284802 /nfs/dbraw/zinc/28/48/02/549284802.db2.gz CKBSOLAZIFCYDS-URLQWDBASA-N 2 1 314.477 3.103 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345868 549472094 /nfs/dbraw/zinc/47/20/94/549472094.db2.gz MVBKHMPEEIISIV-FZKQIMNGSA-N 2 1 324.415 3.043 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345868 549472095 /nfs/dbraw/zinc/47/20/95/549472095.db2.gz MVBKHMPEEIISIV-FZKQIMNGSA-N 2 1 324.415 3.043 20 0 DGADMP CC[C@@H](Cc1cccs1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000683345472 549472171 /nfs/dbraw/zinc/47/21/71/549472171.db2.gz CPWFMISMXYIFLD-HOTGVXAUSA-N 2 1 310.507 3.160 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000685456428 549763067 /nfs/dbraw/zinc/76/30/67/549763067.db2.gz KJCKZQSEUYFGCI-QFBILLFUSA-N 2 1 304.478 3.385 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCO[C@@H](C)C1 ZINC000685456427 549763408 /nfs/dbraw/zinc/76/34/08/549763408.db2.gz KJCKZQSEUYFGCI-LPHOPBHVSA-N 2 1 304.478 3.385 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665188 549787051 /nfs/dbraw/zinc/78/70/51/549787051.db2.gz IFQFYVOKFBOFSK-QUCCMNQESA-N 2 1 318.505 3.429 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312016258 574528535 /nfs/dbraw/zinc/52/85/35/574528535.db2.gz KCHROBLBSCQAKQ-YUELXQCFSA-N 2 1 323.278 3.442 20 0 DGADMP CCCCCCN(C)CC(=O)Nc1ccccc1-n1ccnc1 ZINC000731895712 574561283 /nfs/dbraw/zinc/56/12/83/574561283.db2.gz XHZDMWZRIVFGSA-UHFFFAOYSA-N 2 1 314.433 3.323 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000732271723 574569829 /nfs/dbraw/zinc/56/98/29/574569829.db2.gz PUAQTDCGODHFAJ-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000732271147 574570045 /nfs/dbraw/zinc/57/00/45/574570045.db2.gz CYPSFKFUBWXDHS-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000742733914 575016130 /nfs/dbraw/zinc/01/61/30/575016130.db2.gz LPYOJGKHPCZXHC-GOSISDBHSA-N 2 1 315.505 3.497 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272029 575041488 /nfs/dbraw/zinc/04/14/88/575041488.db2.gz LYBLLAMYPOINLM-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272029 575041491 /nfs/dbraw/zinc/04/14/91/575041491.db2.gz LYBLLAMYPOINLM-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272029 575041494 /nfs/dbraw/zinc/04/14/94/575041494.db2.gz LYBLLAMYPOINLM-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272029 575041495 /nfs/dbraw/zinc/04/14/95/575041495.db2.gz LYBLLAMYPOINLM-XOKHGSTOSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000729340222 575237084 /nfs/dbraw/zinc/23/70/84/575237084.db2.gz FPSNKJDBJBHGMU-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746494501 575455447 /nfs/dbraw/zinc/45/54/47/575455447.db2.gz IIWYCRMZCTWIOH-ICSRJNTNSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000746494501 575455450 /nfs/dbraw/zinc/45/54/50/575455450.db2.gz IIWYCRMZCTWIOH-ICSRJNTNSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494501 575455453 /nfs/dbraw/zinc/45/54/53/575455453.db2.gz IIWYCRMZCTWIOH-ICSRJNTNSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494501 575455456 /nfs/dbraw/zinc/45/54/56/575455456.db2.gz IIWYCRMZCTWIOH-ICSRJNTNSA-N 2 1 316.489 3.001 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1C(C)(C)C1(C)C ZINC000746601040 575464213 /nfs/dbraw/zinc/46/42/13/575464213.db2.gz UOXXFFLOXATIID-ZBFHGGJFSA-N 2 1 308.510 3.290 20 0 DGADMP ClC1(Cl)C[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515521 575662257 /nfs/dbraw/zinc/66/22/57/575662257.db2.gz SYOJYAVFNHVJEJ-YRGRVCCFSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515521 575662259 /nfs/dbraw/zinc/66/22/59/575662259.db2.gz SYOJYAVFNHVJEJ-YRGRVCCFSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749515521 575662261 /nfs/dbraw/zinc/66/22/61/575662261.db2.gz SYOJYAVFNHVJEJ-YRGRVCCFSA-N 2 1 303.277 3.129 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000398072674 575960122 /nfs/dbraw/zinc/96/01/22/575960122.db2.gz ZFCHIRQEJGNIRZ-UZLBHIALSA-N 2 1 310.441 3.392 20 0 DGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000852745241 620644905 /nfs/dbraw/zinc/64/49/05/620644905.db2.gz RGEWARXYJLRUCR-QGZVFWFLSA-N 2 1 310.416 3.461 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)n1 ZINC000852749252 620645906 /nfs/dbraw/zinc/64/59/06/620645906.db2.gz JWXFVSVHQPHFGX-CABCVRRESA-N 2 1 307.869 3.255 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762671 620646507 /nfs/dbraw/zinc/64/65/07/620646507.db2.gz SUSFCJDRWFPOFJ-FUHWJXTLSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762671 620646510 /nfs/dbraw/zinc/64/65/10/620646510.db2.gz SUSFCJDRWFPOFJ-FUHWJXTLSA-N 2 1 322.880 3.370 20 0 DGADMP CC(C)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000853093827 620667927 /nfs/dbraw/zinc/66/79/27/620667927.db2.gz SAFCENWPJGJXHP-OAHLLOKOSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000853093827 620667929 /nfs/dbraw/zinc/66/79/29/620667929.db2.gz SAFCENWPJGJXHP-OAHLLOKOSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)(O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853092795 620667633 /nfs/dbraw/zinc/66/76/33/620667633.db2.gz NARNSXIIYSEWFE-SFHVURJKSA-N 2 1 316.489 3.126 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCCC3)CC2)cs1 ZINC000111397439 620706745 /nfs/dbraw/zinc/70/67/45/620706745.db2.gz ZKBPGVPTRAKMKT-UHFFFAOYSA-N 2 1 307.507 3.450 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000154791105 620720018 /nfs/dbraw/zinc/72/00/18/620720018.db2.gz DGVSCAXDVARRME-UHFFFAOYSA-N 2 1 311.813 3.022 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000892224408 617989499 /nfs/dbraw/zinc/98/94/99/617989499.db2.gz DHPPRODYNQDTPI-MSOLQXFVSA-N 2 1 320.477 3.290 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806136928 617740838 /nfs/dbraw/zinc/74/08/38/617740838.db2.gz DPDUFJXKIGHQLN-SMDDNHRTSA-N 2 1 304.825 3.153 20 0 DGADMP C[C@@H]([NH2+]CC1(Br)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853635 617779655 /nfs/dbraw/zinc/77/96/55/617779655.db2.gz GGYWCVCLWKAPPK-OLZOCXBDSA-N 2 1 315.299 3.157 20 0 DGADMP CCc1[nH]nc(Cl)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000891745487 617888084 /nfs/dbraw/zinc/88/80/84/617888084.db2.gz JDVHSSGLVYKFLW-UHFFFAOYSA-N 2 1 312.889 3.178 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(C2CCC2)c1 ZINC000926276287 617917593 /nfs/dbraw/zinc/91/75/93/617917593.db2.gz VQRBTKOUDWTGFU-HNNXBMFYSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@]1(Br)C[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892086998 617959114 /nfs/dbraw/zinc/95/91/14/617959114.db2.gz YQRMRPKDNHXCDO-KFWWJZLASA-N 2 1 315.299 3.110 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2nccc3c2CCCC3)[C@H](C)C1 ZINC000892106695 617964025 /nfs/dbraw/zinc/96/40/25/617964025.db2.gz WVBSNKXGJHIIEU-BEFAXECRSA-N 2 1 301.478 3.123 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc3c2CCCC3)[C@H](C)C1 ZINC000892106695 617964027 /nfs/dbraw/zinc/96/40/27/617964027.db2.gz WVBSNKXGJHIIEU-BEFAXECRSA-N 2 1 301.478 3.123 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc3c2CCCC3)[C@H](C)C1 ZINC000892106695 617964035 /nfs/dbraw/zinc/96/40/35/617964035.db2.gz WVBSNKXGJHIIEU-BEFAXECRSA-N 2 1 301.478 3.123 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000892224409 617989305 /nfs/dbraw/zinc/98/93/05/617989305.db2.gz DHPPRODYNQDTPI-QZTJIDSGSA-N 2 1 320.477 3.290 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926574089 618051791 /nfs/dbraw/zinc/05/17/91/618051791.db2.gz UNSFJHXQHOHFOC-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)(C[NH2+]C[C@@H]1C[C@@]1(C)Br)[NH+]1CCCCC1 ZINC000892433091 618065227 /nfs/dbraw/zinc/06/52/27/618065227.db2.gz RDDHYORILLYXNN-GXTWGEPZSA-N 2 1 303.288 3.014 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892584656 618113157 /nfs/dbraw/zinc/11/31/57/618113157.db2.gz NGDVOKSBIFEHOC-OAHLLOKOSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)C[NH+]1CCCC1 ZINC000892620503 618120772 /nfs/dbraw/zinc/12/07/72/618120772.db2.gz AYORTFOXXFBFNN-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924598767 618147111 /nfs/dbraw/zinc/14/71/11/618147111.db2.gz FYOPIGYWMCZTIV-PKOBYXMFSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000925057333 618301088 /nfs/dbraw/zinc/30/10/88/618301088.db2.gz OTFIEPLLPNOICO-RTBURBONSA-N 2 1 314.473 3.215 20 0 DGADMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2ccncc2)CC1 ZINC000894458367 618339540 /nfs/dbraw/zinc/33/95/40/618339540.db2.gz SDOJLNVNOVSPGI-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000894478650 618350339 /nfs/dbraw/zinc/35/03/39/618350339.db2.gz CZUDTHGBJXMSIQ-HNNXBMFYSA-N 2 1 307.869 3.207 20 0 DGADMP COc1cc(C)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1OC ZINC000894776542 618452481 /nfs/dbraw/zinc/45/24/81/618452481.db2.gz HLRJPOIRHKFNSC-UHFFFAOYSA-N 2 1 317.433 3.039 20 0 DGADMP COc1cc(C)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1OC ZINC000894776542 618452483 /nfs/dbraw/zinc/45/24/83/618452483.db2.gz HLRJPOIRHKFNSC-UHFFFAOYSA-N 2 1 317.433 3.039 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780963 618455728 /nfs/dbraw/zinc/45/57/28/618455728.db2.gz BKAMFQYRDDILBK-IUODEOHRSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780963 618455732 /nfs/dbraw/zinc/45/57/32/618455732.db2.gz BKAMFQYRDDILBK-IUODEOHRSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780963 618455734 /nfs/dbraw/zinc/45/57/34/618455734.db2.gz BKAMFQYRDDILBK-IUODEOHRSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780963 618455737 /nfs/dbraw/zinc/45/57/37/618455737.db2.gz BKAMFQYRDDILBK-IUODEOHRSA-N 2 1 304.459 3.379 20 0 DGADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c2c(n1)CCCC2 ZINC000894807852 618462984 /nfs/dbraw/zinc/46/29/84/618462984.db2.gz YZKQBBSJUZBLIY-UHFFFAOYSA-N 2 1 301.478 3.233 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000925528940 618473315 /nfs/dbraw/zinc/47/33/15/618473315.db2.gz GPVTZDVUKFXBSP-RDJZCZTQSA-N 3 1 307.526 3.279 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925552827 618490413 /nfs/dbraw/zinc/49/04/13/618490413.db2.gz LJSJAOJTOVUPDL-HOJAQTOUSA-N 3 1 321.553 3.399 20 0 DGADMP COc1ccc2c(c1)OC(C)(C)C[N@H+](CC1CC[NH+](C)CC1)C2 ZINC000894982177 618506586 /nfs/dbraw/zinc/50/65/86/618506586.db2.gz FTQCUZQCEIQAKC-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000925616386 618510307 /nfs/dbraw/zinc/51/03/07/618510307.db2.gz RXKCHELDSKXYJB-ZIFCJYIRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721508 618550274 /nfs/dbraw/zinc/55/02/74/618550274.db2.gz CWYCWFUDGBMPHL-RYQLBKOJSA-N 2 1 302.462 3.404 20 0 DGADMP COC1CCC(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000893489255 618571186 /nfs/dbraw/zinc/57/11/86/618571186.db2.gz XZQYKZKMDUNPOY-WPZCVXBKSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(OC)c1OC ZINC000925731927 618585416 /nfs/dbraw/zinc/58/54/16/618585416.db2.gz DNWKJBIOMOLYPM-NUEKZKHPSA-N 2 1 304.434 3.014 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895290643 618588657 /nfs/dbraw/zinc/58/86/57/618588657.db2.gz OTSLPUSPQWQAFP-HNNXBMFYSA-N 2 1 314.477 3.227 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c(Br)c1 ZINC000925740851 618591772 /nfs/dbraw/zinc/59/17/72/618591772.db2.gz MAKYARGCCFOZMC-JTQLQIEISA-N 2 1 315.255 3.236 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000925752240 618595186 /nfs/dbraw/zinc/59/51/86/618595186.db2.gz UBLVLZIEPNGGGP-HUUCEWRRSA-N 2 1 313.470 3.296 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000925752240 618595187 /nfs/dbraw/zinc/59/51/87/618595187.db2.gz UBLVLZIEPNGGGP-HUUCEWRRSA-N 2 1 313.470 3.296 20 0 DGADMP CCC1([NH3+])CCN([C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000925759400 618602081 /nfs/dbraw/zinc/60/20/81/618602081.db2.gz OADYQRMFKIYYLE-HKUYNNGSSA-N 2 1 315.505 3.100 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000925774983 618615532 /nfs/dbraw/zinc/61/55/32/618615532.db2.gz BHUVJZSMJHGDJC-CMPLNLGQSA-N 2 1 318.408 3.443 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCNCC2)c2sccc21 ZINC000925848065 618645682 /nfs/dbraw/zinc/64/56/82/618645682.db2.gz ZIXTVSOUHBVPIO-WBVHZDCISA-N 2 1 321.534 3.352 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049635 618699642 /nfs/dbraw/zinc/69/96/42/618699642.db2.gz IFVLPXLGNPCNDI-ZFWWWQNUSA-N 2 1 324.440 3.005 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894063852 618702917 /nfs/dbraw/zinc/70/29/17/618702917.db2.gz RBFDMXQOEMUARD-INIZCTEOSA-N 2 1 301.478 3.208 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894063852 618702919 /nfs/dbraw/zinc/70/29/19/618702919.db2.gz RBFDMXQOEMUARD-INIZCTEOSA-N 2 1 301.478 3.208 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894063852 618702920 /nfs/dbraw/zinc/70/29/20/618702920.db2.gz RBFDMXQOEMUARD-INIZCTEOSA-N 2 1 301.478 3.208 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894063852 618702923 /nfs/dbraw/zinc/70/29/23/618702923.db2.gz RBFDMXQOEMUARD-INIZCTEOSA-N 2 1 301.478 3.208 20 0 DGADMP CSC1CC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000924873051 618715198 /nfs/dbraw/zinc/71/51/98/618715198.db2.gz JNFWLBUAYYSECA-VQCLRJIVSA-N 2 1 310.532 3.444 20 0 DGADMP CSC1CC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000924873051 618715199 /nfs/dbraw/zinc/71/51/99/618715199.db2.gz JNFWLBUAYYSECA-VQCLRJIVSA-N 2 1 310.532 3.444 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1NCc1c(C)cc[nH+]c1N ZINC000894133334 618717354 /nfs/dbraw/zinc/71/73/54/618717354.db2.gz XMBSCBAZTJLFNS-UHFFFAOYSA-N 2 1 310.445 3.489 20 0 DGADMP CCc1onc(C)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894134664 618717606 /nfs/dbraw/zinc/71/76/06/618717606.db2.gz LZEAKAJUNYUJQU-QGZVFWFLSA-N 2 1 313.445 3.157 20 0 DGADMP CCc1onc(C)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894134664 618717608 /nfs/dbraw/zinc/71/76/08/618717608.db2.gz LZEAKAJUNYUJQU-QGZVFWFLSA-N 2 1 313.445 3.157 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCC[N@@H+](C)C3CCCCC3)cc12 ZINC000894149369 618720537 /nfs/dbraw/zinc/72/05/37/618720537.db2.gz KIFPPJUBZJMTHT-UHFFFAOYSA-N 2 1 316.449 3.275 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCC[N@H+](C)C3CCCCC3)cc12 ZINC000894149369 618720539 /nfs/dbraw/zinc/72/05/39/618720539.db2.gz KIFPPJUBZJMTHT-UHFFFAOYSA-N 2 1 316.449 3.275 20 0 DGADMP Oc1cccc2sc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc21 ZINC000894172256 618724177 /nfs/dbraw/zinc/72/41/77/618724177.db2.gz FVCRBLBRZVLVTQ-LBPRGKRZSA-N 2 1 302.443 3.181 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894254022 618740707 /nfs/dbraw/zinc/74/07/07/618740707.db2.gz KUNYNLGUKHJLJH-NSHDSACASA-N 2 1 309.866 3.381 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000924958388 618749531 /nfs/dbraw/zinc/74/95/31/618749531.db2.gz JSLCSQNPXREASY-VQTJNVASSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924959828 618749865 /nfs/dbraw/zinc/74/98/65/618749865.db2.gz MHZWOABBTLBXMA-CZUORRHYSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924959828 618749868 /nfs/dbraw/zinc/74/98/68/618749868.db2.gz MHZWOABBTLBXMA-CZUORRHYSA-N 2 1 307.869 3.432 20 0 DGADMP CCC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925039078 618772909 /nfs/dbraw/zinc/77/29/09/618772909.db2.gz AGDLBPXITCBTHE-NXEWRWPSSA-N 2 1 316.489 3.323 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000895391955 618777920 /nfs/dbraw/zinc/77/79/20/618777920.db2.gz IIQMGOBDNIWZGP-CYBMUJFWSA-N 2 1 304.459 3.428 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCN1c1cc[nH+]cc1 ZINC000895555764 618798260 /nfs/dbraw/zinc/79/82/60/618798260.db2.gz COLDRWQUROFUCQ-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCN1c1cc[nH+]cc1 ZINC000895558427 618799205 /nfs/dbraw/zinc/79/92/05/618799205.db2.gz WTTWAWZGNIAGMH-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP CN(c1ccccc1C[N@H+]1CC[C@@H](CF)C1)C1CC[NH+](C)CC1 ZINC000895571878 618799841 /nfs/dbraw/zinc/79/98/41/618799841.db2.gz BFLBFQVXACSNGT-INIZCTEOSA-N 2 1 319.468 3.008 20 0 DGADMP Cc1noc2ncc(C[N@@H+](C)CCCC[NH+]3CCCCC3)cc12 ZINC000895683681 618818412 /nfs/dbraw/zinc/81/84/12/618818412.db2.gz SAHCSBFTDIPAAE-UHFFFAOYSA-N 2 1 316.449 3.229 20 0 DGADMP C[C@]1(Br)C[C@H]1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000895735916 618826298 /nfs/dbraw/zinc/82/62/98/618826298.db2.gz IDNOQWYZJGXASL-ZFWWWQNUSA-N 2 1 315.299 3.110 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cn2ccnc2s1 ZINC000896028196 618864833 /nfs/dbraw/zinc/86/48/33/618864833.db2.gz POWURHDCIVYERN-UHFFFAOYSA-N 2 1 306.479 3.094 20 0 DGADMP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925220975 619079637 /nfs/dbraw/zinc/07/96/37/619079637.db2.gz KWFWDZUPTCVLPE-IPELMVKDSA-N 2 1 303.494 3.272 20 0 DGADMP CC[C@@H](O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925282168 619134757 /nfs/dbraw/zinc/13/47/57/619134757.db2.gz OFMLGCRENDEUJY-RAFMOHDBSA-N 2 1 316.489 3.323 20 0 DGADMP CN(C)Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000897653609 619171384 /nfs/dbraw/zinc/17/13/84/619171384.db2.gz ULTKRAHGYGLNFI-HNNXBMFYSA-N 2 1 323.868 3.213 20 0 DGADMP CN(C)Cc1cc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)ccc1Cl ZINC000897653609 619171387 /nfs/dbraw/zinc/17/13/87/619171387.db2.gz ULTKRAHGYGLNFI-HNNXBMFYSA-N 2 1 323.868 3.213 20 0 DGADMP CC(C)(C[NH+]1CCC([NH2+]C2CCC2)CC1)Oc1ccccc1 ZINC000897983088 619203119 /nfs/dbraw/zinc/20/31/19/619203119.db2.gz YGYUXBJBBOCYSJ-UHFFFAOYSA-N 2 1 302.462 3.451 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924663041 619254740 /nfs/dbraw/zinc/25/47/40/619254740.db2.gz XUYXVEICCUZXRC-ROUUACIJSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(Br)CC1 ZINC000924688722 619257419 /nfs/dbraw/zinc/25/74/19/619257419.db2.gz VISPASIMNONNRI-UONOGXRCSA-N 2 1 317.315 3.404 20 0 DGADMP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000898704701 619291460 /nfs/dbraw/zinc/29/14/60/619291460.db2.gz ZHBGTKKXEVOTIN-SJLPKXTDSA-N 2 1 319.493 3.302 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC000901231114 619479120 /nfs/dbraw/zinc/47/91/20/619479120.db2.gz UMDMZAJMOVVRPQ-ZWKOTPCHSA-N 2 1 315.461 3.012 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000902035752 619578882 /nfs/dbraw/zinc/57/88/82/619578882.db2.gz CSQWLQNSRGBITB-UHFFFAOYSA-N 2 1 306.498 3.480 20 0 DGADMP CCn1cnc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)c1 ZINC000902079746 619584183 /nfs/dbraw/zinc/58/41/83/619584183.db2.gz WRLDUIRQFRVBBN-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP [NH3+]CCCC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1F ZINC000902361098 619627158 /nfs/dbraw/zinc/62/71/58/619627158.db2.gz JEMHCUQMRLHPIW-MRXNPFEDSA-N 2 1 323.362 3.459 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000902415379 619632621 /nfs/dbraw/zinc/63/26/21/619632621.db2.gz GATMPUVCXQBUGB-CYBMUJFWSA-N 2 1 317.433 3.408 20 0 DGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902418179 619632822 /nfs/dbraw/zinc/63/28/22/619632822.db2.gz WHEJHAWAFIYKII-SNVBAGLBSA-N 2 1 305.422 3.400 20 0 DGADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1F ZINC000902472266 619637967 /nfs/dbraw/zinc/63/79/67/619637967.db2.gz ZTRBQPCPMCUWOM-QBBQCFRVSA-N 2 1 318.436 3.343 20 0 DGADMP C[C@H](NC[C@H]1CCCCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902481801 619645732 /nfs/dbraw/zinc/64/57/32/619645732.db2.gz HDIQTNJSVKPNFK-YSIASYRMSA-N 2 1 315.505 3.019 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000841073333 619654327 /nfs/dbraw/zinc/65/43/27/619654327.db2.gz VVZUFMOPCYHYCT-KRWDZBQOSA-N 2 1 313.445 3.104 20 0 DGADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902747743 619669353 /nfs/dbraw/zinc/66/93/53/619669353.db2.gz IAKGNUAQFHVIAK-HCXYKTFWSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902747743 619669354 /nfs/dbraw/zinc/66/93/54/619669354.db2.gz IAKGNUAQFHVIAK-HCXYKTFWSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCC(C)CC1 ZINC000902744686 619669441 /nfs/dbraw/zinc/66/94/41/619669441.db2.gz FHNRQOBFUIBWLD-VTYCOLDWSA-N 2 1 320.521 3.146 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCC(C)CC1 ZINC000902744685 619669496 /nfs/dbraw/zinc/66/94/96/619669496.db2.gz FHNRQOBFUIBWLD-IPJCAIGPSA-N 2 1 320.521 3.146 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902761637 619671982 /nfs/dbraw/zinc/67/19/82/619671982.db2.gz VSICMFVZJZMQFI-XZEHMKQSSA-N 2 1 320.521 3.146 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902778832 619674424 /nfs/dbraw/zinc/67/44/24/619674424.db2.gz CLPFARITHACCER-NEWSRXKRSA-N 2 1 308.510 3.293 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000902819922 619678771 /nfs/dbraw/zinc/67/87/71/619678771.db2.gz XVBPZODNJNEGOI-BFIPOCKSSA-N 2 1 302.462 3.391 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000902819922 619678772 /nfs/dbraw/zinc/67/87/72/619678772.db2.gz XVBPZODNJNEGOI-BFIPOCKSSA-N 2 1 302.462 3.391 20 0 DGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000903037513 619705354 /nfs/dbraw/zinc/70/53/54/619705354.db2.gz MBMLAOLUEGRVQO-WCIQWLHISA-N 2 1 316.489 3.269 20 0 DGADMP C[C@@H](COc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075504 619711672 /nfs/dbraw/zinc/71/16/72/619711672.db2.gz XEDJOGZVIWMNDM-ZVRJUHEZSA-N 2 1 318.436 3.340 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(COC(C)=O)c2)C1 ZINC000903075741 619711794 /nfs/dbraw/zinc/71/17/94/619711794.db2.gz CKJBVRZPFDDYKT-QAPCUYQASA-N 2 1 318.461 3.132 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000903070509 619714927 /nfs/dbraw/zinc/71/49/27/619714927.db2.gz VPYPJGHSAYXRIF-HZPDHXFCSA-N 2 1 318.461 3.164 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@@H+]1C ZINC000903098808 619715848 /nfs/dbraw/zinc/71/58/48/619715848.db2.gz AFRDKGNTVCCZPC-OGWOLHLISA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@H+]1C ZINC000903098808 619715850 /nfs/dbraw/zinc/71/58/50/619715850.db2.gz AFRDKGNTVCCZPC-OGWOLHLISA-N 2 1 320.452 3.366 20 0 DGADMP C(COC1CCCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098654 619715985 /nfs/dbraw/zinc/71/59/85/619715985.db2.gz SAQNTHCPVKDBIM-ZNXRZULTSA-N 2 1 306.494 3.473 20 0 DGADMP CC(C)[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903105049 619717611 /nfs/dbraw/zinc/71/76/11/619717611.db2.gz ORRPHYQRPNSBSJ-JLYLLQBASA-N 2 1 307.526 3.243 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903132009 619722082 /nfs/dbraw/zinc/72/20/82/619722082.db2.gz VRDRQZPTAJDMGO-LRVKYRPXSA-N 2 1 306.494 3.328 20 0 DGADMP c1ccc2c(c1)C[C@@H]1[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)[C@H]21 ZINC000903127226 619722434 /nfs/dbraw/zinc/72/24/34/619722434.db2.gz WVRQONIHRSKCJB-CFTQAZAUSA-N 2 1 308.469 3.320 20 0 DGADMP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903157680 619727095 /nfs/dbraw/zinc/72/70/95/619727095.db2.gz LYRXLSYSUUUTJU-ZCTYVAAUSA-N 2 1 306.494 3.065 20 0 DGADMP Cc1cccc2c1OC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903175775 619730255 /nfs/dbraw/zinc/73/02/55/619730255.db2.gz VNJBZDRWNCRSLN-PUERQQPESA-N 2 1 312.457 3.046 20 0 DGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000903185914 619731026 /nfs/dbraw/zinc/73/10/26/619731026.db2.gz HTNZGPSBFPFHOW-NZKYFMOASA-N 2 1 316.445 3.026 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3ncccc3c2)[C@H]2CCC[C@@H]21 ZINC000903191846 619733231 /nfs/dbraw/zinc/73/32/31/619733231.db2.gz BWVBCAGVFYBJHF-HOJAQTOUSA-N 2 1 309.457 3.240 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)[C@H](c2ccccc2)C1 ZINC000903194158 619733514 /nfs/dbraw/zinc/73/35/14/619733514.db2.gz JOVAOGKARIGODR-DYXWJJEUSA-N 2 1 321.468 3.468 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)[C@H](c2ccccc2)C1 ZINC000903194158 619733515 /nfs/dbraw/zinc/73/35/15/619733515.db2.gz JOVAOGKARIGODR-DYXWJJEUSA-N 2 1 321.468 3.468 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426009 619774506 /nfs/dbraw/zinc/77/45/06/619774506.db2.gz FWGLXQDPXQFNPS-ZJUUUORDSA-N 2 1 303.269 3.070 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430887 619774756 /nfs/dbraw/zinc/77/47/56/619774756.db2.gz GPTXFUVYXMOUKP-WBVHZDCISA-N 2 1 312.461 3.069 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432645 619774760 /nfs/dbraw/zinc/77/47/60/619774760.db2.gz IOUQPHIQFSCRNI-WBVHZDCISA-N 2 1 313.445 3.333 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000903441433 619775874 /nfs/dbraw/zinc/77/58/74/619775874.db2.gz RRCKPPDGKQZCAN-MDNKFWRPSA-N 2 1 316.489 3.210 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000903441333 619775932 /nfs/dbraw/zinc/77/59/32/619775932.db2.gz NYGAEQBBSSMYGX-TWMKSMIVSA-N 2 1 322.518 3.272 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903460836 619776781 /nfs/dbraw/zinc/77/67/81/619776781.db2.gz JPIDWHORAQIMLV-FGTMMUONSA-N 2 1 302.462 3.220 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000903459022 619776875 /nfs/dbraw/zinc/77/68/75/619776875.db2.gz PQSSFGQFZTVNSU-BBWFWOEESA-N 2 1 317.477 3.243 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C[NH3+] ZINC000903460105 619776933 /nfs/dbraw/zinc/77/69/33/619776933.db2.gz XGDJECYWBQRQIT-IMPMIVQMSA-N 2 1 308.416 3.341 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)C1 ZINC000903461871 619777393 /nfs/dbraw/zinc/77/73/93/619777393.db2.gz ZCFICTXDGVVASR-HXFGRODQSA-N 2 1 300.446 3.108 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000903463673 619777443 /nfs/dbraw/zinc/77/74/43/619777443.db2.gz INPZQVJBIQCINB-HIFRSBDPSA-N 2 1 313.470 3.024 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000903463673 619777446 /nfs/dbraw/zinc/77/74/46/619777446.db2.gz INPZQVJBIQCINB-HIFRSBDPSA-N 2 1 313.470 3.024 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1CC[NH3+] ZINC000903498688 619781466 /nfs/dbraw/zinc/78/14/66/619781466.db2.gz BABADBLWYMPCJU-CHWSQXEVSA-N 2 1 319.449 3.366 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496448 619782494 /nfs/dbraw/zinc/78/24/94/619782494.db2.gz OETROCMLBFNFQR-OWCLPIDISA-N 2 1 317.477 3.054 20 0 DGADMP CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903564262 619783474 /nfs/dbraw/zinc/78/34/74/619783474.db2.gz SFFYLQPYHGUWQJ-QGZVFWFLSA-N 2 1 302.462 3.112 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903565246 619783696 /nfs/dbraw/zinc/78/36/96/619783696.db2.gz HPUGIMVZFZTTQD-AWEZNQCLSA-N 2 1 307.507 3.330 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718297 619803076 /nfs/dbraw/zinc/80/30/76/619803076.db2.gz KJGYVVDQJOEUPG-MOPGFXCFSA-N 2 1 302.462 3.010 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000903717227 619803315 /nfs/dbraw/zinc/80/33/15/619803315.db2.gz KYUOOLCTUURFDE-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000903717227 619803318 /nfs/dbraw/zinc/80/33/18/619803318.db2.gz KYUOOLCTUURFDE-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722276 619803605 /nfs/dbraw/zinc/80/36/05/619803605.db2.gz JZZPCVFVPFFARR-HSALFYBXSA-N 2 1 314.473 3.372 20 0 DGADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000903722513 619803607 /nfs/dbraw/zinc/80/36/07/619803607.db2.gz LYBZRFBDLVAZOU-QAPCUYQASA-N 2 1 320.452 3.367 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903721879 619803609 /nfs/dbraw/zinc/80/36/09/619803609.db2.gz FSGKQBZCWVNXGM-QZTJIDSGSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722496 619803686 /nfs/dbraw/zinc/80/36/86/619803686.db2.gz BKSALLSSTVRMOU-IAGOWNOFSA-N 2 1 302.462 3.147 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722493 619803707 /nfs/dbraw/zinc/80/37/07/619803707.db2.gz BKOZIXUPOSSSCJ-UKRRQHHQSA-N 2 1 324.415 3.116 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903721883 619803739 /nfs/dbraw/zinc/80/37/39/619803739.db2.gz FSGKQBZCWVNXGM-ZWKOTPCHSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c(C)c1 ZINC000903722868 619804035 /nfs/dbraw/zinc/80/40/35/619804035.db2.gz DXKLBHHZSAQZHC-ROUUACIJSA-N 2 1 316.489 3.455 20 0 DGADMP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000903724146 619804262 /nfs/dbraw/zinc/80/42/62/619804262.db2.gz LJLYDHZUGDSZAO-JKSUJKDBSA-N 2 1 306.475 3.044 20 0 DGADMP CCC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000903726750 619804624 /nfs/dbraw/zinc/80/46/24/619804624.db2.gz OFCJVJVJOYMGKQ-IAGOWNOFSA-N 2 1 317.477 3.115 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000903726750 619804626 /nfs/dbraw/zinc/80/46/26/619804626.db2.gz OFCJVJVJOYMGKQ-IAGOWNOFSA-N 2 1 317.477 3.115 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725160 619804734 /nfs/dbraw/zinc/80/47/34/619804734.db2.gz XLIISFADXJEHNR-YOEHRIQHSA-N 2 1 322.880 3.492 20 0 DGADMP FC(F)(F)C1(C(F)(F)F)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903733289 619804790 /nfs/dbraw/zinc/80/47/90/619804790.db2.gz JNZKUCRBYJNJAB-JTQLQIEISA-N 2 1 318.305 3.193 20 0 DGADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903733289 619804794 /nfs/dbraw/zinc/80/47/94/619804794.db2.gz JNZKUCRBYJNJAB-JTQLQIEISA-N 2 1 318.305 3.193 20 0 DGADMP CC[N@H+](Cc1ccccc1Cl)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724933 619804977 /nfs/dbraw/zinc/80/49/77/619804977.db2.gz SLDMQECLKUKOON-MRXNPFEDSA-N 2 1 322.880 3.321 20 0 DGADMP Cc1ccc(C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)s1 ZINC000903725505 619805075 /nfs/dbraw/zinc/80/50/75/619805075.db2.gz BTNHJRHGFIKDNM-INIZCTEOSA-N 2 1 322.518 3.426 20 0 DGADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729669 619805439 /nfs/dbraw/zinc/80/54/39/619805439.db2.gz QIWHKDLRPJGCIV-MJGOQNOKSA-N 2 1 314.473 3.155 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733932 619807736 /nfs/dbraw/zinc/80/77/36/619807736.db2.gz MZLTVRJTOKKFHY-OALUTQOASA-N 2 1 316.489 3.098 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)c1 ZINC000903766722 619810032 /nfs/dbraw/zinc/81/00/32/619810032.db2.gz REUBBNSOQQOZGE-LPHOPBHVSA-N 2 1 302.462 3.048 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1F ZINC000903776591 619812076 /nfs/dbraw/zinc/81/20/76/619812076.db2.gz VLBXBFXPBVVIBG-HOCLYGCPSA-N 2 1 306.425 3.013 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903778036 619812433 /nfs/dbraw/zinc/81/24/33/619812433.db2.gz IYGHMJOLRJQAPW-YDHLFZDLSA-N 2 1 322.415 3.183 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903785512 619813487 /nfs/dbraw/zinc/81/34/87/619813487.db2.gz ZPPVCYZYRVMTGR-QRQLOZEOSA-N 2 1 314.473 3.228 20 0 DGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788366 619813979 /nfs/dbraw/zinc/81/39/79/619813979.db2.gz JAKWHELYJSYHOF-NSHGMRRFSA-N 2 1 314.473 3.023 20 0 DGADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903832289 619820951 /nfs/dbraw/zinc/82/09/51/619820951.db2.gz PHMWASFUVZYAAO-DODVFSASSA-N 2 1 302.437 3.435 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000903843768 619822762 /nfs/dbraw/zinc/82/27/62/619822762.db2.gz SGCDKCMOROYRGP-UBHSHLNASA-N 2 1 301.821 3.200 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1cccc3ccccc31)C2 ZINC000903845581 619823291 /nfs/dbraw/zinc/82/32/91/619823291.db2.gz JEJXDOWANZLHBG-SZMVWBNQSA-N 2 1 310.441 3.420 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000903848926 619823651 /nfs/dbraw/zinc/82/36/51/619823651.db2.gz VFARZAJLBAUYPZ-GLQYFDAESA-N 2 1 317.820 3.307 20 0 DGADMP Fc1ccc(C[C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903887322 619825704 /nfs/dbraw/zinc/82/57/04/619825704.db2.gz YOCIZALAUHTXFV-ZCTYVAAUSA-N 2 1 302.437 3.363 20 0 DGADMP COc1cc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1SC ZINC000903888873 619826192 /nfs/dbraw/zinc/82/61/92/619826192.db2.gz LYUFBICEYVNXAX-MQVJKMGUSA-N 2 1 320.502 3.380 20 0 DGADMP C[N@@H+](CCCOc1ccc(F)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887039 619828753 /nfs/dbraw/zinc/82/87/53/619828753.db2.gz XZAWXOAPLNRVES-ZXFUBFMLSA-N 2 1 306.425 3.057 20 0 DGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000903892546 619829356 /nfs/dbraw/zinc/82/93/56/619829356.db2.gz UPDZBBREMOPWFC-XUBOLADHSA-N 3 1 319.537 3.105 20 0 DGADMP c1ccc(OC[C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000903902618 619831856 /nfs/dbraw/zinc/83/18/56/619831856.db2.gz KZGBWKWXTHBKFE-KRWDZBQOSA-N 2 1 322.452 3.233 20 0 DGADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903907973 619832618 /nfs/dbraw/zinc/83/26/18/619832618.db2.gz BUQDPAKSFQGTSI-FOIQADDNSA-N 2 1 307.441 3.310 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000903934405 619837249 /nfs/dbraw/zinc/83/72/49/619837249.db2.gz GONSKKZGXODXEN-VDBQLOCMSA-N 2 1 318.436 3.154 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903937657 619838105 /nfs/dbraw/zinc/83/81/05/619838105.db2.gz PBMHZBJNVYPQLL-MSOLQXFVSA-N 2 1 307.526 3.105 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954920 619846178 /nfs/dbraw/zinc/84/61/78/619846178.db2.gz INXSEMWSIBOTQM-LBPRGKRZSA-N 2 1 308.294 3.040 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000903955051 619846422 /nfs/dbraw/zinc/84/64/22/619846422.db2.gz JNGMAYQGLRRJOB-HNNXBMFYSA-N 2 1 324.415 3.342 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972402 619847468 /nfs/dbraw/zinc/84/74/68/619847468.db2.gz HTSMLUDXBKDXCS-MOPGFXCFSA-N 2 1 316.489 3.064 20 0 DGADMP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903972680 619847720 /nfs/dbraw/zinc/84/77/20/619847720.db2.gz JUVMERIJDYSEML-MJGOQNOKSA-N 2 1 316.489 3.064 20 0 DGADMP [NH3+][C@@H](CC1CC1)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904081262 619872333 /nfs/dbraw/zinc/87/23/33/619872333.db2.gz BTZKUEIPKNPYOE-INIZCTEOSA-N 2 1 312.417 3.132 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000904305267 619911326 /nfs/dbraw/zinc/91/13/26/619911326.db2.gz JHONASRTSQDZSZ-OZVIIMIRSA-N 2 1 304.484 3.494 20 0 DGADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307692 619911683 /nfs/dbraw/zinc/91/16/83/619911683.db2.gz DXHPTXLLZZEONN-OTVXOJSOSA-N 2 1 311.267 3.397 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000904307102 619911928 /nfs/dbraw/zinc/91/19/28/619911928.db2.gz LAOGXZRZPFUUJJ-XBXGTLAGSA-N 2 1 309.251 3.151 20 0 DGADMP C[C@@]1(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000904337129 619912762 /nfs/dbraw/zinc/91/27/62/619912762.db2.gz ORMXTKKZTPDELT-LJQANCHMSA-N 2 1 318.436 3.110 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CCC[NH2+]C1 ZINC000904389018 619917371 /nfs/dbraw/zinc/91/73/71/619917371.db2.gz RCAOHRBKXZEDOW-RDTXWAMCSA-N 2 1 319.518 3.201 20 0 DGADMP C[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000904383630 619918748 /nfs/dbraw/zinc/91/87/48/619918748.db2.gz ALYPNONNAQSPGP-DGCLKSJQSA-N 2 1 305.422 3.338 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000904406911 619919973 /nfs/dbraw/zinc/91/99/73/619919973.db2.gz WVJQCCJCKKRHOR-AWEZNQCLSA-N 2 1 324.428 3.004 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000904406971 619920307 /nfs/dbraw/zinc/92/03/07/619920307.db2.gz ZEJIKWZVTJQXPQ-SNVBAGLBSA-N 2 1 304.768 3.112 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC000904410386 619920602 /nfs/dbraw/zinc/92/06/02/619920602.db2.gz CUIMYQJDSXGHFI-RYUDHWBXSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000904411936 619920639 /nfs/dbraw/zinc/92/06/39/619920639.db2.gz QPEACRIEAULAIR-CMPLNLGQSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@H]1C[NH3+] ZINC000904412682 619921049 /nfs/dbraw/zinc/92/10/49/619921049.db2.gz WFVKKPPRYZZFKM-QWRGUYRKSA-N 2 1 304.331 3.261 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000738221036 620256328 /nfs/dbraw/zinc/25/63/28/620256328.db2.gz BGEZTWOSKBMCIT-CQSZACIVSA-N 2 1 301.459 3.212 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000151106036 620423285 /nfs/dbraw/zinc/42/32/85/620423285.db2.gz JLIDVGXUGJMEGZ-WMZOPIPTSA-N 2 1 304.478 3.338 20 0 DGADMP Cc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151148859 620425170 /nfs/dbraw/zinc/42/51/70/620425170.db2.gz HXUQHSNHAFAFGP-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151148859 620425173 /nfs/dbraw/zinc/42/51/73/620425173.db2.gz HXUQHSNHAFAFGP-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000914435792 620534780 /nfs/dbraw/zinc/53/47/80/620534780.db2.gz KJEQYLNCCSFEAU-GEALJGNFSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000914435792 620534783 /nfs/dbraw/zinc/53/47/83/620534783.db2.gz KJEQYLNCCSFEAU-GEALJGNFSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000914435793 620534935 /nfs/dbraw/zinc/53/49/35/620534935.db2.gz KJEQYLNCCSFEAU-HUYLIWGRSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000914435793 620534938 /nfs/dbraw/zinc/53/49/38/620534938.db2.gz KJEQYLNCCSFEAU-HUYLIWGRSA-N 2 1 314.473 3.054 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000915226452 620574501 /nfs/dbraw/zinc/57/45/01/620574501.db2.gz OKOPCNRPKPRYRH-UHFFFAOYSA-N 2 1 303.494 3.497 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000915226452 620574503 /nfs/dbraw/zinc/57/45/03/620574503.db2.gz OKOPCNRPKPRYRH-UHFFFAOYSA-N 2 1 303.494 3.497 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852564136 620630173 /nfs/dbraw/zinc/63/01/73/620630173.db2.gz DYHKVGRCZSGJCY-SZVBFZGTSA-N 2 1 312.461 3.224 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921541619 620904932 /nfs/dbraw/zinc/90/49/32/620904932.db2.gz IXLPLARZVJMBJY-NCXUSEDFSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921540164 620905537 /nfs/dbraw/zinc/90/55/37/620905537.db2.gz FUXJBSGXHOVEOX-CALCHBBNSA-N 2 1 318.509 3.456 20 0 DGADMP CC(C)=CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561764 621005432 /nfs/dbraw/zinc/00/54/32/621005432.db2.gz YLTXZZHFPNRMCJ-LJQANCHMSA-N 2 1 317.477 3.341 20 0 DGADMP CC(C)=CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561764 621005434 /nfs/dbraw/zinc/00/54/34/621005434.db2.gz YLTXZZHFPNRMCJ-LJQANCHMSA-N 2 1 317.477 3.341 20 0 DGADMP CC(C)=CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561764 621005438 /nfs/dbraw/zinc/00/54/38/621005438.db2.gz YLTXZZHFPNRMCJ-LJQANCHMSA-N 2 1 317.477 3.341 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584906 621006327 /nfs/dbraw/zinc/00/63/27/621006327.db2.gz UOZQKXSLUXAMEN-GOSISDBHSA-N 2 1 305.466 3.177 20 0 DGADMP CCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584906 621006328 /nfs/dbraw/zinc/00/63/28/621006328.db2.gz UOZQKXSLUXAMEN-GOSISDBHSA-N 2 1 305.466 3.177 20 0 DGADMP CCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584906 621006333 /nfs/dbraw/zinc/00/63/33/621006333.db2.gz UOZQKXSLUXAMEN-GOSISDBHSA-N 2 1 305.466 3.177 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3C=CCCC3)C2)ccn1 ZINC000856591193 621006796 /nfs/dbraw/zinc/00/67/96/621006796.db2.gz JTUQIOYIYQUYGI-PKOBYXMFSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)ccn1 ZINC000856591193 621006800 /nfs/dbraw/zinc/00/68/00/621006800.db2.gz JTUQIOYIYQUYGI-PKOBYXMFSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3C=CCCC3)C2)ccn1 ZINC000856591193 621006802 /nfs/dbraw/zinc/00/68/02/621006802.db2.gz JTUQIOYIYQUYGI-PKOBYXMFSA-N 2 1 315.461 3.095 20 0 DGADMP CCCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597867 621007218 /nfs/dbraw/zinc/00/72/18/621007218.db2.gz CNGXMNDRKPXUHK-GOSISDBHSA-N 2 1 305.466 3.175 20 0 DGADMP CCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597867 621007220 /nfs/dbraw/zinc/00/72/20/621007220.db2.gz CNGXMNDRKPXUHK-GOSISDBHSA-N 2 1 305.466 3.175 20 0 DGADMP CCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597867 621007222 /nfs/dbraw/zinc/00/72/22/621007222.db2.gz CNGXMNDRKPXUHK-GOSISDBHSA-N 2 1 305.466 3.175 20 0 DGADMP CCCc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000856771101 621018248 /nfs/dbraw/zinc/01/82/48/621018248.db2.gz ZFIAVVXLGZUXKQ-MRXNPFEDSA-N 2 1 322.518 3.434 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000922387822 621032632 /nfs/dbraw/zinc/03/26/32/621032632.db2.gz BBZUMJMKTQIISW-ZABSUHAISA-N 2 1 320.521 3.048 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3sccc3C)C2)[C@H]1C(C)C ZINC000922393710 621033011 /nfs/dbraw/zinc/03/30/11/621033011.db2.gz SSPFCFSKCATATA-JOCBIADPSA-N 2 1 322.518 3.016 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCSC3(CCC3)C2)s1 ZINC000922840088 621106751 /nfs/dbraw/zinc/10/67/51/621106751.db2.gz KAQBXZYUZLUYEQ-GFCCVEGCSA-N 2 1 311.520 3.113 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCCC1 ZINC000857901891 621129074 /nfs/dbraw/zinc/12/90/74/621129074.db2.gz NTPJDRWYEQTGII-ZFWWWQNUSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2OCCc3ccccc32)CC1(C)C ZINC000922958182 621138229 /nfs/dbraw/zinc/13/82/29/621138229.db2.gz PRKDRFUDOQWSEJ-FUHWJXTLSA-N 2 1 302.462 3.153 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1(C)C ZINC000858139594 621156923 /nfs/dbraw/zinc/15/69/23/621156923.db2.gz WVPZICIYTJDTTC-ROUUACIJSA-N 2 1 318.505 3.480 20 0 DGADMP C[N@H+]1CCCC[C@@H](CNCc2ccnc(Cl)c2Cl)C1 ZINC000858245666 621167988 /nfs/dbraw/zinc/16/79/88/621167988.db2.gz LNVOFEZOBBYOQB-NSHDSACASA-N 2 1 302.249 3.210 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289203 621172419 /nfs/dbraw/zinc/17/24/19/621172419.db2.gz NYKUXYHMUNEQMB-FIXISWKDSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289203 621172421 /nfs/dbraw/zinc/17/24/21/621172421.db2.gz NYKUXYHMUNEQMB-FIXISWKDSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312210 621174166 /nfs/dbraw/zinc/17/41/66/621174166.db2.gz IGBFZRHCGIAHSH-AEOXZHQRSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312211 621174353 /nfs/dbraw/zinc/17/43/53/621174353.db2.gz IGBFZRHCGIAHSH-DSLRARGZSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316738 621174870 /nfs/dbraw/zinc/17/48/70/621174870.db2.gz NFYQASANPIPDPF-ZQIUZPCESA-N 2 1 322.880 3.142 20 0 DGADMP COc1ccccc1CC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923311872 621175446 /nfs/dbraw/zinc/17/54/46/621175446.db2.gz ZVKINCDQUDIXFQ-ZNXRZULTSA-N 2 1 302.462 3.090 20 0 DGADMP COc1ccc(CCC[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923309946 621175497 /nfs/dbraw/zinc/17/54/97/621175497.db2.gz QDSIFEUKCKIANH-YQQQUEKLSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC[NH2+]C4CC4)C3)nc2c1 ZINC000923369793 621179505 /nfs/dbraw/zinc/17/95/05/621179505.db2.gz OQMRMWWYZODHBZ-HNNXBMFYSA-N 2 1 312.461 3.193 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CCC[NH2+]C4CC4)C3)[nH]c2c1 ZINC000923369793 621179509 /nfs/dbraw/zinc/17/95/09/621179509.db2.gz OQMRMWWYZODHBZ-HNNXBMFYSA-N 2 1 312.461 3.193 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CCC[NH2+]C4CC4)C3)[nH]c2c1 ZINC000923369793 621179513 /nfs/dbraw/zinc/17/95/13/621179513.db2.gz OQMRMWWYZODHBZ-HNNXBMFYSA-N 2 1 312.461 3.193 20 0 DGADMP c1ccc(N[C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000923370115 621179589 /nfs/dbraw/zinc/17/95/89/621179589.db2.gz BRPLUBWSQWIIME-ZNBHLAFESA-N 2 1 313.489 3.484 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000923385228 621179950 /nfs/dbraw/zinc/17/99/50/621179950.db2.gz XOSZDWMYGUQTDT-PHSGOXPASA-N 2 1 300.446 3.060 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923426739 621182943 /nfs/dbraw/zinc/18/29/43/621182943.db2.gz PQGSWGVUFLODSY-HXUWFJFHSA-N 2 1 314.473 3.194 20 0 DGADMP C[NH+](C)CCCOc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858401161 621185867 /nfs/dbraw/zinc/18/58/67/621185867.db2.gz WRCFBLWMXOCSNH-QGZVFWFLSA-N 2 1 319.493 3.302 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000923486193 621187698 /nfs/dbraw/zinc/18/76/98/621187698.db2.gz CRLLIICQLYAYGQ-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1C[NH3+] ZINC000923502161 621187897 /nfs/dbraw/zinc/18/78/97/621187897.db2.gz XTPQIBDFCLSBKR-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923493103 621188025 /nfs/dbraw/zinc/18/80/25/621188025.db2.gz STQZUJATHBGTJN-HZPDHXFCSA-N 2 1 317.477 3.116 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000923491630 621188227 /nfs/dbraw/zinc/18/82/27/621188227.db2.gz LTCMHXROOLIAMN-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP CCCCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923502791 621188471 /nfs/dbraw/zinc/18/84/71/621188471.db2.gz ATCIDIFDMJLOLE-OAHLLOKOSA-N 2 1 320.481 3.014 20 0 DGADMP Clc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)on2)cc1 ZINC000923521114 621191602 /nfs/dbraw/zinc/19/16/02/621191602.db2.gz ZUFTWLZFIPQVJF-UONOGXRCSA-N 2 1 317.820 3.036 20 0 DGADMP Clc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)on2)cc1 ZINC000923521114 621191605 /nfs/dbraw/zinc/19/16/05/621191605.db2.gz ZUFTWLZFIPQVJF-UONOGXRCSA-N 2 1 317.820 3.036 20 0 DGADMP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519599 621191614 /nfs/dbraw/zinc/19/16/14/621191614.db2.gz VMEPHJSVUVKHHZ-FRRDWIJNSA-N 2 1 309.251 3.051 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519599 621191618 /nfs/dbraw/zinc/19/16/18/621191618.db2.gz VMEPHJSVUVKHHZ-FRRDWIJNSA-N 2 1 309.251 3.051 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491106 621197649 /nfs/dbraw/zinc/19/76/49/621197649.db2.gz YKBUGXDODVDGCF-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491106 621197651 /nfs/dbraw/zinc/19/76/51/621197651.db2.gz YKBUGXDODVDGCF-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858492160 621197775 /nfs/dbraw/zinc/19/77/75/621197775.db2.gz UHZZIYUENDQGJM-HOTGVXAUSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CNc2cc[nH+]c(CO)c2)CCC1 ZINC000858558761 621204294 /nfs/dbraw/zinc/20/42/94/621204294.db2.gz DHKBMBNBASQLMX-UHFFFAOYSA-N 2 1 311.429 3.041 20 0 DGADMP Cc1cnc(CC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000859211936 621260742 /nfs/dbraw/zinc/26/07/42/621260742.db2.gz DCXSVMSAYVLJIH-UHFFFAOYSA-N 2 1 311.473 3.435 20 0 DGADMP COc1cc(C)c([C@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000753664404 621458572 /nfs/dbraw/zinc/45/85/72/621458572.db2.gz JYAQZHNNGBEAHF-RDJZCZTQSA-N 2 1 302.462 3.447 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464779 621512172 /nfs/dbraw/zinc/51/21/72/621512172.db2.gz LXLWVYTTZICYNB-YNEHKIRRSA-N 2 1 305.293 3.423 20 0 DGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCC[C@H]1CCCC[NH+]1C ZINC000754867438 621538473 /nfs/dbraw/zinc/53/84/73/621538473.db2.gz AXURICMRGAGLTR-OAHLLOKOSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000754867438 621538475 /nfs/dbraw/zinc/53/84/75/621538475.db2.gz AXURICMRGAGLTR-OAHLLOKOSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000754867438 621538476 /nfs/dbraw/zinc/53/84/76/621538476.db2.gz AXURICMRGAGLTR-OAHLLOKOSA-N 2 1 310.482 3.057 20 0 DGADMP C[N@@H+](Cc1coc(-c2ccccc2F)n1)C1CCC([NH3+])CC1 ZINC000863543301 621682500 /nfs/dbraw/zinc/68/25/00/621682500.db2.gz YBOWJAQBRXZTAR-UHFFFAOYSA-N 2 1 303.381 3.182 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCOC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000863551230 621682978 /nfs/dbraw/zinc/68/29/78/621682978.db2.gz DVXVQDYENOHLBE-ZFWWWQNUSA-N 2 1 322.415 3.185 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000863551230 621682981 /nfs/dbraw/zinc/68/29/81/621682981.db2.gz DVXVQDYENOHLBE-ZFWWWQNUSA-N 2 1 322.415 3.185 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000863568229 621683852 /nfs/dbraw/zinc/68/38/52/621683852.db2.gz IQAMZJPDQINUDK-GFCCVEGCSA-N 2 1 304.356 3.143 20 0 DGADMP C[C@H]([NH3+])C[N@H+](C)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000863652004 621693874 /nfs/dbraw/zinc/69/38/74/621693874.db2.gz OSYQAVSLZPDDAK-ZDUSSCGKSA-N 2 1 304.384 3.376 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000863652004 621693876 /nfs/dbraw/zinc/69/38/76/621693876.db2.gz OSYQAVSLZPDDAK-ZDUSSCGKSA-N 2 1 304.384 3.376 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000759783334 621889388 /nfs/dbraw/zinc/88/93/88/621889388.db2.gz PGYDOZMCDMPJOO-UHFFFAOYSA-N 2 1 313.445 3.388 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000759783334 621889393 /nfs/dbraw/zinc/88/93/93/621889393.db2.gz PGYDOZMCDMPJOO-UHFFFAOYSA-N 2 1 313.445 3.388 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000865417783 621915798 /nfs/dbraw/zinc/91/57/98/621915798.db2.gz VELAZPFAZQQEME-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000865419389 621916195 /nfs/dbraw/zinc/91/61/95/621916195.db2.gz ROMXPNPTXLBYAN-UHFFFAOYSA-N 2 1 307.457 3.244 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000760828329 621967014 /nfs/dbraw/zinc/96/70/14/621967014.db2.gz RKIOJJBGHMBPET-ICSRJNTNSA-N 2 1 315.505 3.240 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660169 621973103 /nfs/dbraw/zinc/97/31/03/621973103.db2.gz JMHIOJQXFPKXJV-YJBOKZPZSA-N 2 1 313.420 3.078 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660169 621973106 /nfs/dbraw/zinc/97/31/06/621973106.db2.gz JMHIOJQXFPKXJV-YJBOKZPZSA-N 2 1 313.420 3.078 20 0 DGADMP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000865733318 621985482 /nfs/dbraw/zinc/98/54/82/621985482.db2.gz HTJKOSCFUJDOES-IYARVYRRSA-N 2 1 304.503 3.177 20 0 DGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@@H]21 ZINC000866206337 622066316 /nfs/dbraw/zinc/06/63/16/622066316.db2.gz KEFUCLJOUNMDFD-WBMJQRKESA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@@H]21 ZINC000866206337 622066317 /nfs/dbraw/zinc/06/63/17/622066317.db2.gz KEFUCLJOUNMDFD-WBMJQRKESA-N 2 1 301.821 3.419 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238231 622072968 /nfs/dbraw/zinc/07/29/68/622072968.db2.gz NSXLGBBBFDDXJF-NWDGAFQWSA-N 2 1 307.825 3.474 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238231 622072970 /nfs/dbraw/zinc/07/29/70/622072970.db2.gz NSXLGBBBFDDXJF-NWDGAFQWSA-N 2 1 307.825 3.474 20 0 DGADMP CCOc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000762648953 622089488 /nfs/dbraw/zinc/08/94/88/622089488.db2.gz KEOQUTIPROXRHT-IRXDYDNUSA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000762648953 622089489 /nfs/dbraw/zinc/08/94/89/622089489.db2.gz KEOQUTIPROXRHT-IRXDYDNUSA-N 2 1 320.477 3.237 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(OC)c1OC ZINC000866390661 622109348 /nfs/dbraw/zinc/10/93/48/622109348.db2.gz PXNHJGCXZNIONU-GDBMZVCRSA-N 2 1 306.450 3.229 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(OC)c1OC ZINC000866390661 622109349 /nfs/dbraw/zinc/10/93/49/622109349.db2.gz PXNHJGCXZNIONU-GDBMZVCRSA-N 2 1 306.450 3.229 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)[C@H](C)C1 ZINC000866492637 622126686 /nfs/dbraw/zinc/12/66/86/622126686.db2.gz QVUTXPPCLNTRPT-KDOFPFPSSA-N 2 1 317.452 3.478 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559928 622137856 /nfs/dbraw/zinc/13/78/56/622137856.db2.gz JALVGVNGSFJXKD-VQIMIIECSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559928 622137859 /nfs/dbraw/zinc/13/78/59/622137859.db2.gz JALVGVNGSFJXKD-VQIMIIECSA-N 3 1 307.526 3.103 20 0 DGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704916 622157989 /nfs/dbraw/zinc/15/79/89/622157989.db2.gz QXLAPAFWJJZYIQ-HNAYVOBHSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704916 622157992 /nfs/dbraw/zinc/15/79/92/622157992.db2.gz QXLAPAFWJJZYIQ-HNAYVOBHSA-N 2 1 317.477 3.019 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000866709187 622158504 /nfs/dbraw/zinc/15/85/04/622158504.db2.gz RCSXRFUVTIFVMP-HXUWFJFHSA-N 2 1 324.472 3.341 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000866709185 622158700 /nfs/dbraw/zinc/15/87/00/622158700.db2.gz RCSXRFUVTIFVMP-FQEVSTJZSA-N 2 1 324.472 3.341 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccccc1 ZINC000764882527 622229741 /nfs/dbraw/zinc/22/97/41/622229741.db2.gz JWHBJLWIRKBNQI-RDJZCZTQSA-N 2 1 324.472 3.316 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)c1 ZINC000765399129 622263124 /nfs/dbraw/zinc/26/31/24/622263124.db2.gz BAOAIQBXYUTXOS-QFBILLFUSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766053913 622302398 /nfs/dbraw/zinc/30/23/98/622302398.db2.gz RXMSELAAUIGMTO-UHFFFAOYSA-N 2 1 318.490 3.244 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767371319 622394021 /nfs/dbraw/zinc/39/40/21/622394021.db2.gz OXZFHLHZTNWYDA-UHFFFAOYSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(C(F)F)C3)c2)CCO1 ZINC000768675888 622470659 /nfs/dbraw/zinc/47/06/59/622470659.db2.gz WXHUKIBYCORTCG-NVPAJSRCSA-N 2 1 324.415 3.041 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(C(F)F)C3)c2)CCO1 ZINC000768675888 622470660 /nfs/dbraw/zinc/47/06/60/622470660.db2.gz WXHUKIBYCORTCG-NVPAJSRCSA-N 2 1 324.415 3.041 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000123153249 622471852 /nfs/dbraw/zinc/47/18/52/622471852.db2.gz YARNCUGRUHVCAM-UHFFFAOYSA-N 2 1 301.887 3.350 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000123389252 622524295 /nfs/dbraw/zinc/52/42/95/622524295.db2.gz NNCUOVJJMCZECZ-HNNXBMFYSA-N 2 1 320.477 3.367 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769686649 622549419 /nfs/dbraw/zinc/54/94/19/622549419.db2.gz CZAHAHNBVIBVAP-FPAYPSAMSA-N 2 1 308.510 3.434 20 0 DGADMP CCCCCCOc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000770394746 622630117 /nfs/dbraw/zinc/63/01/17/622630117.db2.gz LSZSOGBSSIVZJA-ROUUACIJSA-N 2 1 302.462 3.297 20 0 DGADMP [NH3+][C@H](CC1CCCCC1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796897 622701446 /nfs/dbraw/zinc/70/14/46/622701446.db2.gz QMSPOOMLVYWAJS-JALIKCBVSA-N 2 1 304.438 3.038 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2S1 ZINC000872029288 622761579 /nfs/dbraw/zinc/76/15/79/622761579.db2.gz VWNRDGHFUGKILF-HOCLYGCPSA-N 2 1 320.502 3.048 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000872105885 622807399 /nfs/dbraw/zinc/80/73/99/622807399.db2.gz FSDOEQCZFFFVAS-UHFFFAOYSA-N 2 1 323.278 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C(F)(F)F ZINC000872150470 622832508 /nfs/dbraw/zinc/83/25/08/622832508.db2.gz VYKATYXPGMQSAL-KCPJHIHWSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C(F)(F)F ZINC000872150470 622832518 /nfs/dbraw/zinc/83/25/18/622832518.db2.gz VYKATYXPGMQSAL-KCPJHIHWSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@@H]1C(F)(F)F ZINC000872150465 622833758 /nfs/dbraw/zinc/83/37/58/622833758.db2.gz VYKATYXPGMQSAL-BYCMXARLSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@@H]1C(F)(F)F ZINC000872150465 622833765 /nfs/dbraw/zinc/83/37/65/622833765.db2.gz VYKATYXPGMQSAL-BYCMXARLSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000872150352 622833940 /nfs/dbraw/zinc/83/39/40/622833940.db2.gz QFYSIIFOOKMDGE-GXTWGEPZSA-N 2 1 320.786 3.342 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872151335 622834471 /nfs/dbraw/zinc/83/44/71/622834471.db2.gz VGLMFGSYUQGCQW-DZGCQCFKSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872151335 622834476 /nfs/dbraw/zinc/83/44/76/622834476.db2.gz VGLMFGSYUQGCQW-DZGCQCFKSA-N 2 1 316.367 3.043 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000872151769 622834601 /nfs/dbraw/zinc/83/46/01/622834601.db2.gz MOIIHKJDMHTHNL-DZGCQCFKSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000872151769 622834606 /nfs/dbraw/zinc/83/46/06/622834606.db2.gz MOIIHKJDMHTHNL-DZGCQCFKSA-N 2 1 323.362 3.112 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1C(F)(F)F ZINC000872152141 622835075 /nfs/dbraw/zinc/83/50/75/622835075.db2.gz ZLVWIWPWPBAWSB-GWCFXTLKSA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@H]1C(F)(F)F ZINC000872152141 622835080 /nfs/dbraw/zinc/83/50/80/622835080.db2.gz ZLVWIWPWPBAWSB-GWCFXTLKSA-N 2 1 314.376 3.470 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000872157631 622838459 /nfs/dbraw/zinc/83/84/59/622838459.db2.gz OGUFGBMHVHATGF-RDJZCZTQSA-N 2 1 320.502 3.175 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158010 622840921 /nfs/dbraw/zinc/84/09/21/622840921.db2.gz RMVHAFAZYWKSQV-IEBWSBKVSA-N 2 1 318.509 3.120 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200231 622865478 /nfs/dbraw/zinc/86/54/78/622865478.db2.gz QAUANGCCOLIARR-YJBOKZPZSA-N 2 1 322.880 3.037 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200231 622865480 /nfs/dbraw/zinc/86/54/80/622865480.db2.gz QAUANGCCOLIARR-YJBOKZPZSA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200231 622865483 /nfs/dbraw/zinc/86/54/83/622865483.db2.gz QAUANGCCOLIARR-YJBOKZPZSA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200231 622865485 /nfs/dbraw/zinc/86/54/85/622865485.db2.gz QAUANGCCOLIARR-YJBOKZPZSA-N 2 1 322.880 3.037 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000872724828 622960225 /nfs/dbraw/zinc/96/02/25/622960225.db2.gz YDEXLGAZJQYVJW-HOCLYGCPSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000872724828 622960233 /nfs/dbraw/zinc/96/02/33/622960233.db2.gz YDEXLGAZJQYVJW-HOCLYGCPSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000872724828 622960238 /nfs/dbraw/zinc/96/02/38/622960238.db2.gz YDEXLGAZJQYVJW-HOCLYGCPSA-N 2 1 313.470 3.354 20 0 DGADMP CC[N@@H+](CCC1CCN(Cn2cc[nH]c2=S)CC1)CC(C)C ZINC000773270745 623006677 /nfs/dbraw/zinc/00/66/77/623006677.db2.gz JJRPUTGONNPWSN-UHFFFAOYSA-N 2 1 324.538 3.209 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cn2cc[nH]c2=S)CC1)CC(C)C ZINC000773270745 623006682 /nfs/dbraw/zinc/00/66/82/623006682.db2.gz JJRPUTGONNPWSN-UHFFFAOYSA-N 2 1 324.538 3.209 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cn2cc[nH]c2=S)CC1)CC(C)C ZINC000773270745 623006690 /nfs/dbraw/zinc/00/66/90/623006690.db2.gz JJRPUTGONNPWSN-UHFFFAOYSA-N 2 1 324.538 3.209 20 0 DGADMP c1c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873213503 623077038 /nfs/dbraw/zinc/07/70/38/623077038.db2.gz FXTQNMWXAPUKBB-INIZCTEOSA-N 2 1 314.454 3.047 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)ccc2n1 ZINC000873227538 623080930 /nfs/dbraw/zinc/08/09/30/623080930.db2.gz JBTCBJRLAKNNJD-CABCVRRESA-N 2 1 323.362 3.112 20 0 DGADMP Cc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)ccc2n1 ZINC000873227538 623080936 /nfs/dbraw/zinc/08/09/36/623080936.db2.gz JBTCBJRLAKNNJD-CABCVRRESA-N 2 1 323.362 3.112 20 0 DGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000873231343 623084128 /nfs/dbraw/zinc/08/41/28/623084128.db2.gz GMMRMSCHYQDOFN-UHFFFAOYSA-N 2 1 316.449 3.036 20 0 DGADMP COc1ccc2nc(C[N@@H+](C)CCCCCC[NH3+])sc2c1 ZINC000873231901 623084304 /nfs/dbraw/zinc/08/43/04/623084304.db2.gz YEXWBYIALRNMIQ-UHFFFAOYSA-N 2 1 307.463 3.256 20 0 DGADMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])c(C2CCCCC2)n1 ZINC000873231542 623084382 /nfs/dbraw/zinc/08/43/82/623084382.db2.gz MTGRSWUTECKZHK-UHFFFAOYSA-N 2 1 306.498 3.419 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000873242121 623088759 /nfs/dbraw/zinc/08/87/59/623088759.db2.gz LXAPKJLPCDKQCV-RTBURBONSA-N 3 1 301.478 3.231 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000873242121 623088765 /nfs/dbraw/zinc/08/87/65/623088765.db2.gz LXAPKJLPCDKQCV-RTBURBONSA-N 2 1 301.478 3.231 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283287 623102754 /nfs/dbraw/zinc/10/27/54/623102754.db2.gz PXQFQLPYHQNYPJ-JOYOIKCWSA-N 2 1 321.774 3.232 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000775565682 623290574 /nfs/dbraw/zinc/29/05/74/623290574.db2.gz SEGWDWGFQIHYLY-UHFFFAOYSA-N 2 1 304.478 3.124 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCCO ZINC000775689384 623314840 /nfs/dbraw/zinc/31/48/40/623314840.db2.gz KUMYKIGXDAVXFI-QUCCMNQESA-N 2 1 318.505 3.429 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCCO ZINC000775689384 623314844 /nfs/dbraw/zinc/31/48/44/623314844.db2.gz KUMYKIGXDAVXFI-QUCCMNQESA-N 2 1 318.505 3.429 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000776161153 623385488 /nfs/dbraw/zinc/38/54/88/623385488.db2.gz UJQFKSRYTLUSKE-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP CCOP(=O)(CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OCC ZINC000876764015 623700905 /nfs/dbraw/zinc/70/09/05/623700905.db2.gz JZTDKRXHWIIGAC-HUUCEWRRSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OCC ZINC000876764015 623700909 /nfs/dbraw/zinc/70/09/09/623700909.db2.gz JZTDKRXHWIIGAC-HUUCEWRRSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OCC ZINC000876764015 623700914 /nfs/dbraw/zinc/70/09/14/623700914.db2.gz JZTDKRXHWIIGAC-HUUCEWRRSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OCC ZINC000876764015 623700915 /nfs/dbraw/zinc/70/09/15/623700915.db2.gz JZTDKRXHWIIGAC-HUUCEWRRSA-N 2 1 320.414 3.057 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765538 623701206 /nfs/dbraw/zinc/70/12/06/623701206.db2.gz SSHJSAIFPARTFY-XJKSGUPXSA-N 2 1 301.409 3.288 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765538 623701211 /nfs/dbraw/zinc/70/12/11/623701211.db2.gz SSHJSAIFPARTFY-XJKSGUPXSA-N 2 1 301.409 3.288 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783246 623705137 /nfs/dbraw/zinc/70/51/37/623705137.db2.gz XPWBEWWCTDHGFN-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783246 623705142 /nfs/dbraw/zinc/70/51/42/623705142.db2.gz XPWBEWWCTDHGFN-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783246 623705148 /nfs/dbraw/zinc/70/51/48/623705148.db2.gz XPWBEWWCTDHGFN-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783246 623705155 /nfs/dbraw/zinc/70/51/55/623705155.db2.gz XPWBEWWCTDHGFN-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CCC2)cc1 ZINC000779022564 623721566 /nfs/dbraw/zinc/72/15/66/623721566.db2.gz UEIUWXBIKSHUHH-VAMGGRTRSA-N 2 1 314.473 3.289 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CCC2)cc1 ZINC000779022564 623721571 /nfs/dbraw/zinc/72/15/71/623721571.db2.gz UEIUWXBIKSHUHH-VAMGGRTRSA-N 2 1 314.473 3.289 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000876924175 623744962 /nfs/dbraw/zinc/74/49/62/623744962.db2.gz NCGKINQIFGRYEM-XFQAVAEZSA-N 2 1 318.442 3.419 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000876963925 623756290 /nfs/dbraw/zinc/75/62/90/623756290.db2.gz LEKQTFYOMRDIJK-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000876989439 623761268 /nfs/dbraw/zinc/76/12/68/623761268.db2.gz ZCQSNLDKPBEZFG-IEBWSBKVSA-N 2 1 304.478 3.474 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877073761 623784358 /nfs/dbraw/zinc/78/43/58/623784358.db2.gz RVUNAMPSVXPRRM-HIFRSBDPSA-N 2 1 319.399 3.475 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000877137210 623803154 /nfs/dbraw/zinc/80/31/54/623803154.db2.gz SPPJRJJYJYXAQO-OTWHNJEPSA-N 2 1 323.440 3.133 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000877137210 623803159 /nfs/dbraw/zinc/80/31/59/623803159.db2.gz SPPJRJJYJYXAQO-OTWHNJEPSA-N 2 1 323.440 3.133 20 0 DGADMP Cc1cc(N2CCC([NH2+]CC3(C)CCCC3)CC2)nc(C)[nH+]1 ZINC000877155762 623809729 /nfs/dbraw/zinc/80/97/29/623809729.db2.gz KPIJSLSLWQQYKW-UHFFFAOYSA-N 2 1 302.466 3.232 20 0 DGADMP Cc1cc(Nc2cnc(N3CCCC[C@H]3C)c(C)c2)nc(N)[nH+]1 ZINC000779917920 623832935 /nfs/dbraw/zinc/83/29/35/623832935.db2.gz UBXKRBCBJRKZKG-CYBMUJFWSA-N 2 1 312.421 3.193 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc3c(F)cccc3c2)CC1 ZINC000877458372 623891937 /nfs/dbraw/zinc/89/19/37/623891937.db2.gz RBMDFBXSFZYNAD-UHFFFAOYSA-N 2 1 313.420 3.434 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000877479511 623902393 /nfs/dbraw/zinc/90/23/93/623902393.db2.gz VSIKWINKGFEUTO-MRXNPFEDSA-N 2 1 301.409 3.290 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000877479511 623902398 /nfs/dbraw/zinc/90/23/98/623902398.db2.gz VSIKWINKGFEUTO-MRXNPFEDSA-N 2 1 301.409 3.290 20 0 DGADMP COc1cnc(F)c(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000877767189 624027659 /nfs/dbraw/zinc/02/76/59/624027659.db2.gz BUMOOIFHHUPVEV-UHFFFAOYSA-N 2 1 323.456 3.029 20 0 DGADMP CC(C)C[N@@H+](CCCC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000877767457 624028834 /nfs/dbraw/zinc/02/88/34/624028834.db2.gz KCEGHVTZUKLNSX-UHFFFAOYSA-N 2 1 310.526 3.493 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000877974996 624120052 /nfs/dbraw/zinc/12/00/52/624120052.db2.gz ARFCUABQTDAXBE-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCC3CC3)CC2)CC1 ZINC000878173747 624201913 /nfs/dbraw/zinc/20/19/13/624201913.db2.gz CLRVMLSYVUYBLH-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@H+](CCCC1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878173747 624201915 /nfs/dbraw/zinc/20/19/15/624201915.db2.gz CLRVMLSYVUYBLH-UHFFFAOYSA-N 3 1 321.553 3.305 20 0 DGADMP C[N@@H+](CCCC1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878173747 624201916 /nfs/dbraw/zinc/20/19/16/624201916.db2.gz CLRVMLSYVUYBLH-UHFFFAOYSA-N 3 1 321.553 3.305 20 0 DGADMP Cc1conc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000878196383 624211896 /nfs/dbraw/zinc/21/18/96/624211896.db2.gz ZOLBCUUPVKLQIN-MRXNPFEDSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1conc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000878196383 624211899 /nfs/dbraw/zinc/21/18/99/624211899.db2.gz ZOLBCUUPVKLQIN-MRXNPFEDSA-N 2 1 305.466 3.460 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878236409 624223400 /nfs/dbraw/zinc/22/34/00/624223400.db2.gz XBMCTQWRJJVKKT-OALUTQOASA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411189 624271096 /nfs/dbraw/zinc/27/10/96/624271096.db2.gz GPHFTYDCQJKLBA-BQFCYCMXSA-N 2 1 306.494 3.188 20 0 DGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)cc1 ZINC000782759572 624280703 /nfs/dbraw/zinc/28/07/03/624280703.db2.gz ZZWDWDMPVVXKCY-FQEVSTJZSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC[C@H](O)C(C)C)C2)s1 ZINC000878573137 624311750 /nfs/dbraw/zinc/31/17/50/624311750.db2.gz HQLQIZPZYMUIFZ-AEFFLSMTSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@H](O)C(C)C)C2)s1 ZINC000878573137 624311751 /nfs/dbraw/zinc/31/17/51/624311751.db2.gz HQLQIZPZYMUIFZ-AEFFLSMTSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@H](O)C(C)C)C2)s1 ZINC000878573137 624311752 /nfs/dbraw/zinc/31/17/52/624311752.db2.gz HQLQIZPZYMUIFZ-AEFFLSMTSA-N 2 1 324.534 3.217 20 0 DGADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608190 624320996 /nfs/dbraw/zinc/32/09/96/624320996.db2.gz KQRYQSURHUHIJW-VYFYYAICSA-N 2 1 314.473 3.464 20 0 DGADMP C[NH+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608190 624320997 /nfs/dbraw/zinc/32/09/97/624320997.db2.gz KQRYQSURHUHIJW-VYFYYAICSA-N 2 1 314.473 3.464 20 0 DGADMP C=C/C=C\CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019118 624409397 /nfs/dbraw/zinc/40/93/97/624409397.db2.gz OTEZKEMIVFHWNV-LIXSYLKWSA-N 2 1 315.461 3.119 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000879210151 624452243 /nfs/dbraw/zinc/45/22/43/624452243.db2.gz UGRRBVQLDCYINN-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245446 624459895 /nfs/dbraw/zinc/45/98/95/624459895.db2.gz XVXYWWNTNKVBSR-RBUKOAKNSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245446 624459898 /nfs/dbraw/zinc/45/98/98/624459898.db2.gz XVXYWWNTNKVBSR-RBUKOAKNSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566852 624592204 /nfs/dbraw/zinc/59/22/04/624592204.db2.gz ZNCXQDCTQMKJTP-DLBZAZTESA-N 2 1 313.470 3.366 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879674330 624635341 /nfs/dbraw/zinc/63/53/41/624635341.db2.gz FTSKXCSAMJRREJ-MOPGFXCFSA-N 2 1 301.478 3.257 20 0 DGADMP CC(C)C[N@@H+](Cc1noc(C2CCC2)n1)CC1CC[NH+](C)CC1 ZINC000879703282 624645408 /nfs/dbraw/zinc/64/54/08/624645408.db2.gz GUPVKSUOKHXEKS-UHFFFAOYSA-N 2 1 320.481 3.137 20 0 DGADMP CC(C)C[N@H+](Cc1noc(C2CCC2)n1)CC1CC[NH+](C)CC1 ZINC000879703282 624645411 /nfs/dbraw/zinc/64/54/11/624645411.db2.gz GUPVKSUOKHXEKS-UHFFFAOYSA-N 2 1 320.481 3.137 20 0 DGADMP CCCCc1noc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879702515 624645457 /nfs/dbraw/zinc/64/54/57/624645457.db2.gz OAUKIKZSZALYMR-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP Cc1cnccc1CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703458 624645642 /nfs/dbraw/zinc/64/56/42/624645642.db2.gz NGINXEKJYWTQLC-UHFFFAOYSA-N 2 1 303.494 3.232 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000879948049 624729413 /nfs/dbraw/zinc/72/94/13/624729413.db2.gz STHCTBKVLCWXSH-GOSISDBHSA-N 2 1 302.462 3.060 20 0 DGADMP C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880103632 624789892 /nfs/dbraw/zinc/78/98/92/624789892.db2.gz VIZKNGBKQFFPLC-AAEUAGOBSA-N 2 1 301.356 3.235 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880103632 624789894 /nfs/dbraw/zinc/78/98/94/624789894.db2.gz VIZKNGBKQFFPLC-AAEUAGOBSA-N 2 1 301.356 3.235 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880103632 624789898 /nfs/dbraw/zinc/78/98/98/624789898.db2.gz VIZKNGBKQFFPLC-AAEUAGOBSA-N 2 1 301.356 3.235 20 0 DGADMP FC[C@@H]1CC[NH+](CC(C[N@@H+]2CC[C@@H](CF)C2)c2ccccc2)C1 ZINC000880301459 624902223 /nfs/dbraw/zinc/90/22/23/624902223.db2.gz RAGMXIXSLWARFF-IRXDYDNUSA-N 2 1 322.443 3.353 20 0 DGADMP FC[C@@H]1CC[NH+](CC(C[N@@H+]2CC[C@@H](CF)C2)C2CCCC2)C1 ZINC000880300910 624902252 /nfs/dbraw/zinc/90/22/52/624902252.db2.gz JJHBTTKWHWPBCR-HOTGVXAUSA-N 2 1 314.464 3.376 20 0 DGADMP FC[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880299042 624902580 /nfs/dbraw/zinc/90/25/80/624902580.db2.gz NIFPMRZFYVOOTM-IYBDPMFKSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](CF)C2)C1 ZINC000880299042 624902582 /nfs/dbraw/zinc/90/25/82/624902582.db2.gz NIFPMRZFYVOOTM-IYBDPMFKSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](CF)C2)C1 ZINC000880299042 624902584 /nfs/dbraw/zinc/90/25/84/624902584.db2.gz NIFPMRZFYVOOTM-IYBDPMFKSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@H]1CC[NH+](CC(C[N@@H+]2CC[C@H](CF)C2)C2CCCC2)C1 ZINC000880300913 624902705 /nfs/dbraw/zinc/90/27/05/624902705.db2.gz JJHBTTKWHWPBCR-HZPDHXFCSA-N 2 1 314.464 3.376 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577787 624982171 /nfs/dbraw/zinc/98/21/71/624982171.db2.gz KUSBTDWCSWKKSZ-SFHVURJKSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577787 624982174 /nfs/dbraw/zinc/98/21/74/624982174.db2.gz KUSBTDWCSWKKSZ-SFHVURJKSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577787 624982177 /nfs/dbraw/zinc/98/21/77/624982177.db2.gz KUSBTDWCSWKKSZ-SFHVURJKSA-N 2 1 305.466 3.110 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)cc(C)c(COC)c2C)C1 ZINC000882899642 625851230 /nfs/dbraw/zinc/85/12/30/625851230.db2.gz SCBJYIFUXLIJRW-KRWDZBQOSA-N 2 1 304.478 3.190 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882949447 625870476 /nfs/dbraw/zinc/87/04/76/625870476.db2.gz QNFVOXFJHFHZBR-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882949447 625870478 /nfs/dbraw/zinc/87/04/78/625870478.db2.gz QNFVOXFJHFHZBR-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000796746126 626078444 /nfs/dbraw/zinc/07/84/44/626078444.db2.gz PPRWETSDIFRZBZ-UFYCRDLUSA-N 3 1 321.553 3.495 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000796746126 626078446 /nfs/dbraw/zinc/07/84/46/626078446.db2.gz PPRWETSDIFRZBZ-UFYCRDLUSA-N 2 1 321.553 3.495 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000796796886 626084329 /nfs/dbraw/zinc/08/43/29/626084329.db2.gz FMXJHRXFLSHIIR-PBDJWPIDSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000796796886 626084332 /nfs/dbraw/zinc/08/43/32/626084332.db2.gz FMXJHRXFLSHIIR-PBDJWPIDSA-N 2 1 319.537 3.246 20 0 DGADMP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000796921815 626096269 /nfs/dbraw/zinc/09/62/69/626096269.db2.gz DFBVBAKQRAERKP-JQHSSLGASA-N 2 1 305.441 3.172 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000796943453 626097928 /nfs/dbraw/zinc/09/79/28/626097928.db2.gz YTPRUQQPNXXIRC-BSDSXHPESA-N 2 1 316.493 3.304 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000796943453 626097930 /nfs/dbraw/zinc/09/79/30/626097930.db2.gz YTPRUQQPNXXIRC-BSDSXHPESA-N 2 1 316.493 3.304 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936196 626261475 /nfs/dbraw/zinc/26/14/75/626261475.db2.gz ZOVXYXKBNINDOL-DNVCBOLYSA-N 2 1 312.461 3.281 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936196 626261477 /nfs/dbraw/zinc/26/14/77/626261477.db2.gz ZOVXYXKBNINDOL-DNVCBOLYSA-N 2 1 312.461 3.281 20 0 DGADMP COc1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000799178632 626277709 /nfs/dbraw/zinc/27/77/09/626277709.db2.gz ZFSKJCKUQJQGNM-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799176631 626277915 /nfs/dbraw/zinc/27/79/15/626277915.db2.gz AEIZFGXXKLVPIB-UHFFFAOYSA-N 2 1 316.489 3.436 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883215636 626611557 /nfs/dbraw/zinc/61/15/57/626611557.db2.gz CINMFTKCHOGTPY-MOPGFXCFSA-N 2 1 314.473 3.066 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883417711 626678151 /nfs/dbraw/zinc/67/81/51/626678151.db2.gz KROHHWYIQFPMHU-NQYYFHDYSA-N 2 1 302.462 3.356 20 0 DGADMP C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424112 626679472 /nfs/dbraw/zinc/67/94/72/626679472.db2.gz GOJXGDAPPCKCKN-JKHFOPOESA-N 2 1 300.446 3.122 20 0 DGADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424114 626679543 /nfs/dbraw/zinc/67/95/43/626679543.db2.gz GOJXGDAPPCKCKN-VUXNLXKLSA-N 2 1 300.446 3.122 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2ccccc2Br)C1 ZINC000883427686 626679962 /nfs/dbraw/zinc/67/99/62/626679962.db2.gz ZHKCDVWHMPWXQF-ZDUSSCGKSA-N 2 1 311.267 3.052 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)O2)cc1 ZINC000883427938 626679965 /nfs/dbraw/zinc/67/99/65/626679965.db2.gz HHAONGXYELCNAN-AABGKKOBSA-N 2 1 314.473 3.372 20 0 DGADMP CC[C@@H]1C[N@H+](CCc2ccccc2Br)CC[C@H]1[NH3+] ZINC000883427338 626680226 /nfs/dbraw/zinc/68/02/26/626680226.db2.gz OKVVWOFVEFOBPC-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP CC[C@@H]1C[N@@H+](CCc2ccccc2Br)CC[C@H]1[NH3+] ZINC000883427338 626680228 /nfs/dbraw/zinc/68/02/28/626680228.db2.gz OKVVWOFVEFOBPC-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)[C@@H]1CC[NH3+] ZINC000883435134 626681570 /nfs/dbraw/zinc/68/15/70/626681570.db2.gz LGHAHOGBDZTGNU-QXCFHYIPSA-N 2 1 302.462 3.356 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@H]1CC[NH3+] ZINC000883435132 626681590 /nfs/dbraw/zinc/68/15/90/626681590.db2.gz LGHAHOGBDZTGNU-BVBHFADKSA-N 2 1 302.462 3.356 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000883433968 626681597 /nfs/dbraw/zinc/68/15/97/626681597.db2.gz CZHGMZHSFIHVTM-JONQDZQNSA-N 2 1 316.436 3.030 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437308 626681925 /nfs/dbraw/zinc/68/19/25/626681925.db2.gz OHVVUOAXCDFYBO-HCXYKTFWSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437308 626681929 /nfs/dbraw/zinc/68/19/29/626681929.db2.gz OHVVUOAXCDFYBO-HCXYKTFWSA-N 2 1 300.446 3.110 20 0 DGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000883442224 626683298 /nfs/dbraw/zinc/68/32/98/626683298.db2.gz HBLZFPTWJBHEAQ-ROUUACIJSA-N 2 1 323.440 3.008 20 0 DGADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH3+])cn1 ZINC000883460709 626686527 /nfs/dbraw/zinc/68/65/27/626686527.db2.gz DWFHVZCYMVZXBB-ZNXRZULTSA-N 2 1 304.482 3.040 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000808696924 626850423 /nfs/dbraw/zinc/85/04/23/626850423.db2.gz YEVAJLRZQIWULS-WRWLIDTKSA-N 2 1 314.473 3.468 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000808696921 626850543 /nfs/dbraw/zinc/85/05/43/626850543.db2.gz YEVAJLRZQIWULS-SYNHAJSKSA-N 2 1 314.473 3.468 20 0 DGADMP CCC1([NH+]2CCC2)CCN(c2cc[nH+]cc2Br)CC1 ZINC000884717550 626934804 /nfs/dbraw/zinc/93/48/04/626934804.db2.gz DYISTSXFGJNIAW-UHFFFAOYSA-N 2 1 324.266 3.299 20 0 DGADMP Cc1ccc2nc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)cn2c1 ZINC000809739092 626944002 /nfs/dbraw/zinc/94/40/02/626944002.db2.gz XGEZWLCYQUBSQW-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP Cc1ccc2nc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)cn2c1 ZINC000809739092 626944004 /nfs/dbraw/zinc/94/40/04/626944004.db2.gz XGEZWLCYQUBSQW-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)COC3)cc1 ZINC000809738611 626944414 /nfs/dbraw/zinc/94/44/14/626944414.db2.gz BMBUXNSYPDHOSS-UHFFFAOYSA-N 2 1 310.441 3.410 20 0 DGADMP FC(F)(F)SCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081488 627099969 /nfs/dbraw/zinc/09/99/69/627099969.db2.gz QHQZMIHKNFYSST-WCQYABFASA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000886081488 627099972 /nfs/dbraw/zinc/09/99/72/627099972.db2.gz QHQZMIHKNFYSST-WCQYABFASA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081488 627099974 /nfs/dbraw/zinc/09/99/74/627099974.db2.gz QHQZMIHKNFYSST-WCQYABFASA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000886081488 627099976 /nfs/dbraw/zinc/09/99/76/627099976.db2.gz QHQZMIHKNFYSST-WCQYABFASA-N 2 1 308.413 3.188 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCC4(CCC4)CO3)C2)CC1 ZINC000886185857 627118713 /nfs/dbraw/zinc/11/87/13/627118713.db2.gz JQPFTTLYWRNRSF-QGZVFWFLSA-N 2 1 306.494 3.144 20 0 DGADMP CCCN1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886493241 627152780 /nfs/dbraw/zinc/15/27/80/627152780.db2.gz BKSFFZIIKHDBAQ-UHFFFAOYSA-N 2 1 307.526 3.248 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000886505247 627154018 /nfs/dbraw/zinc/15/40/18/627154018.db2.gz QZRIQFRARCZWHG-ZIFCJYIRSA-N 2 1 320.525 3.465 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886505036 627154154 /nfs/dbraw/zinc/15/41/54/627154154.db2.gz GDQNXJYOWXAUCA-SOLBZPMBSA-N 2 1 301.478 3.417 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000886534840 627158811 /nfs/dbraw/zinc/15/88/11/627158811.db2.gz PLXUDRZJXKBAPJ-RRENTHDGSA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000886534840 627158814 /nfs/dbraw/zinc/15/88/14/627158814.db2.gz PLXUDRZJXKBAPJ-RRENTHDGSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cnn(C)c2)C(C)C)C1 ZINC000886553867 627162024 /nfs/dbraw/zinc/16/20/24/627162024.db2.gz WYFTYYJROVJFQS-SJLPKXTDSA-N 2 1 306.498 3.075 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CC[C@H](O)c3ccccc3)CC2)[nH+]c1C ZINC000886659675 627182183 /nfs/dbraw/zinc/18/21/83/627182183.db2.gz SACSNTAVTSUWNH-SFHVURJKSA-N 2 1 313.445 3.330 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000886718168 627197378 /nfs/dbraw/zinc/19/73/78/627197378.db2.gz SAYDOXOAHYFTEO-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886872718 627212165 /nfs/dbraw/zinc/21/21/65/627212165.db2.gz ZJHWBJILBBNZGN-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000887134129 627227754 /nfs/dbraw/zinc/22/77/54/627227754.db2.gz CONNNJVOLVEEGY-GXTWGEPZSA-N 2 1 314.260 3.176 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000887134132 627227920 /nfs/dbraw/zinc/22/79/20/627227920.db2.gz CONNNJVOLVEEGY-TZMCWYRMSA-N 2 1 314.260 3.176 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854716 627430703 /nfs/dbraw/zinc/43/07/03/627430703.db2.gz VSVYRDVSLBMSLH-IEBWSBKVSA-N 2 1 304.478 3.306 20 0 DGADMP COC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173784 627546473 /nfs/dbraw/zinc/54/64/73/627546473.db2.gz XHNXAEHMNJFXCU-VOBGVNJCSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815103427 627627052 /nfs/dbraw/zinc/62/70/52/627627052.db2.gz RHVWSGCQUCAMLM-XLIONFOSSA-N 2 1 312.457 3.289 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815103426 627627084 /nfs/dbraw/zinc/62/70/84/627627084.db2.gz RHVWSGCQUCAMLM-PXNSSMCTSA-N 2 1 312.457 3.289 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000924570950 627650629 /nfs/dbraw/zinc/65/06/29/627650629.db2.gz SBYWXGXAKPJURG-UHFFFAOYSA-N 3 1 309.542 3.396 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cn(C)cn1 ZINC000924587866 627653486 /nfs/dbraw/zinc/65/34/86/627653486.db2.gz XBUFDGDMSHVBAV-INIZCTEOSA-N 2 1 312.461 3.257 20 0 DGADMP Clc1ccnc2c1CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000924646752 627662059 /nfs/dbraw/zinc/66/20/59/627662059.db2.gz FXHIJRNMAVNUCK-MLGOLLRUSA-N 2 1 305.853 3.186 20 0 DGADMP Clc1ccnc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924646752 627662061 /nfs/dbraw/zinc/66/20/61/627662061.db2.gz FXHIJRNMAVNUCK-MLGOLLRUSA-N 2 1 305.853 3.186 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924689585 627667757 /nfs/dbraw/zinc/66/77/57/627667757.db2.gz YSOYPSNUSZOHIR-BHIYHBOVSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000924689053 627668039 /nfs/dbraw/zinc/66/80/39/627668039.db2.gz WHZBBUSQNGOZBN-HZPDHXFCSA-N 2 1 307.486 3.022 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)n1 ZINC000924697440 627669266 /nfs/dbraw/zinc/66/92/66/627669266.db2.gz TVPWFUJGEYSITI-AVGNSLFASA-N 2 1 324.266 3.122 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(C2CCC2)c1 ZINC000924712085 627671277 /nfs/dbraw/zinc/67/12/77/627671277.db2.gz HYRMURXTRHFYMW-CQSZACIVSA-N 2 1 302.466 3.133 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCc2c1nccc2Cl)C[NH+]1CCCCC1 ZINC000924720196 627673494 /nfs/dbraw/zinc/67/34/94/627673494.db2.gz GULXFRXMNNUGQR-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP CC[NH+](CC)CCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444814 627674312 /nfs/dbraw/zinc/67/43/12/627674312.db2.gz KUKLEFGFMWJZTF-KRWDZBQOSA-N 2 1 310.482 3.059 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCOC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000815445708 627674451 /nfs/dbraw/zinc/67/44/51/627674451.db2.gz GNFFUAGLPKQSBD-FUHWJXTLSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@H]1CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445708 627674455 /nfs/dbraw/zinc/67/44/55/627674455.db2.gz GNFFUAGLPKQSBD-FUHWJXTLSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@H]1CCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445708 627674458 /nfs/dbraw/zinc/67/44/58/627674458.db2.gz GNFFUAGLPKQSBD-FUHWJXTLSA-N 2 1 322.493 3.201 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000924783784 627679463 /nfs/dbraw/zinc/67/94/63/627679463.db2.gz YNCVWGIQYVDVOR-LXKKFAQKSA-N 2 1 314.473 3.084 20 0 DGADMP Cc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012011 627701309 /nfs/dbraw/zinc/70/13/09/627701309.db2.gz UMWAITZAAHJCBR-FXAWDEMLSA-N 2 1 309.457 3.411 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000925080125 627706692 /nfs/dbraw/zinc/70/66/92/627706692.db2.gz QZGNZXNASLOKPA-FCEWJHQRSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000925514504 627745080 /nfs/dbraw/zinc/74/50/80/627745080.db2.gz PNFXCEWMZGAERP-BXWFABGCSA-N 2 1 303.494 3.128 20 0 DGADMP CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000925514504 627745082 /nfs/dbraw/zinc/74/50/82/627745082.db2.gz PNFXCEWMZGAERP-BXWFABGCSA-N 2 1 303.494 3.128 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925529191 627748405 /nfs/dbraw/zinc/74/84/05/627748405.db2.gz ZPJLRMTWWXDCKP-FHWLQOOXSA-N 2 1 314.473 3.337 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1 ZINC000925531968 627749015 /nfs/dbraw/zinc/74/90/15/627749015.db2.gz SVIPVVVHNIPPTM-KXBFYZLASA-N 2 1 305.425 3.455 20 0 DGADMP C1CCC2(C1)[NH2+]CC[C@H]2NC1CCC([NH+]2CCCCC2)CC1 ZINC000925541771 627750476 /nfs/dbraw/zinc/75/04/76/627750476.db2.gz JMPMOLTUPGSMNV-DAWZGUTISA-N 2 1 305.510 3.048 20 0 DGADMP C[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000925546305 627751933 /nfs/dbraw/zinc/75/19/33/627751933.db2.gz NPUHBBIOICGWTH-RWQQGDIJSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCCC[C@H]1C ZINC000925546305 627751936 /nfs/dbraw/zinc/75/19/36/627751936.db2.gz NPUHBBIOICGWTH-RWQQGDIJSA-N 2 1 307.526 3.007 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925567312 627755803 /nfs/dbraw/zinc/75/58/03/627755803.db2.gz BTASWUNMVKUKCF-KECHPEGOSA-N 2 1 320.864 3.002 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925567313 627755923 /nfs/dbraw/zinc/75/59/23/627755923.db2.gz BTASWUNMVKUKCF-SCIORUSGSA-N 2 1 320.864 3.002 20 0 DGADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925644562 627769296 /nfs/dbraw/zinc/76/92/96/627769296.db2.gz NFCHCFIYDVAFHJ-CHWSQXEVSA-N 2 1 320.868 3.222 20 0 DGADMP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000925678075 627775334 /nfs/dbraw/zinc/77/53/34/627775334.db2.gz ZVCYFKLBVRYYFQ-RBUKOAKNSA-N 2 1 315.505 3.019 20 0 DGADMP Clc1cccc(CC2([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)c1 ZINC000925687219 627776760 /nfs/dbraw/zinc/77/67/60/627776760.db2.gz GKPFHQKJCJQRHL-GMBUGEKQSA-N 2 1 302.849 3.001 20 0 DGADMP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717298 627780613 /nfs/dbraw/zinc/78/06/13/627780613.db2.gz SHHOGOKOBYZMKI-ICSRJNTNSA-N 3 1 315.505 3.178 20 0 DGADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[N@H+]1CC[C@@H](Oc3cccc(Cl)c3)C1)[NH2+]2 ZINC000925722675 627781722 /nfs/dbraw/zinc/78/17/22/627781722.db2.gz IYCOLTZFEVVSSG-SHWZHROSSA-N 2 1 320.864 3.322 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747487 627786223 /nfs/dbraw/zinc/78/62/23/627786223.db2.gz IPWBOMIMBWXXJT-UMVBOHGHSA-N 2 1 307.507 3.421 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(F)c1 ZINC000925784933 627795443 /nfs/dbraw/zinc/79/54/43/627795443.db2.gz SZHKVHQAKVBJRT-WFASDCNBSA-N 2 1 318.358 3.496 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(C)ccc1OC ZINC000925786154 627795551 /nfs/dbraw/zinc/79/55/51/627795551.db2.gz WFCCMQQBFVWQAO-UKRRQHHQSA-N 2 1 312.404 3.289 20 0 DGADMP C1C[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2(C1)CCCCC2 ZINC000925799314 627796908 /nfs/dbraw/zinc/79/69/08/627796908.db2.gz SKLLTJPWSAXHST-SJORKVTESA-N 2 1 306.494 3.238 20 0 DGADMP C1CCC2(C1)CCCC[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925801736 627797293 /nfs/dbraw/zinc/79/72/93/627797293.db2.gz YOVAIZPTHFPGIZ-IRXDYDNUSA-N 2 1 306.494 3.238 20 0 DGADMP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000925877768 627810621 /nfs/dbraw/zinc/81/06/21/627810621.db2.gz XATWCBQMNCZCJA-SJORKVTESA-N 2 1 312.413 3.247 20 0 DGADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925891080 627813202 /nfs/dbraw/zinc/81/32/02/627813202.db2.gz RSKUAMNSVCPLIA-WJMWBRGCSA-N 2 1 322.452 3.118 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000816648447 627820176 /nfs/dbraw/zinc/82/01/76/627820176.db2.gz KTXUGNWVECPFEJ-HZPDHXFCSA-N 2 1 301.478 3.057 20 0 DGADMP C[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926124896 627847905 /nfs/dbraw/zinc/84/79/05/627847905.db2.gz HGKFRZMSALEVPB-SALMWKFDSA-N 2 1 316.489 3.321 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccnnc1 ZINC000926146006 627850899 /nfs/dbraw/zinc/85/08/99/627850899.db2.gz IRYASLSNFKSLMV-YGWPLHOASA-N 2 1 322.456 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccnnc1 ZINC000926145997 627851031 /nfs/dbraw/zinc/85/10/31/627851031.db2.gz IRYASLSNFKSLMV-JOCLIGHLSA-N 2 1 322.456 3.038 20 0 DGADMP CCc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)cc1 ZINC000926204053 627860972 /nfs/dbraw/zinc/86/09/72/627860972.db2.gz QOZBWCZVOWYUKH-FQEVSTJZSA-N 2 1 320.440 3.299 20 0 DGADMP Cc1cccc2c1[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000926289103 627875120 /nfs/dbraw/zinc/87/51/20/627875120.db2.gz ZRNAGFWFRKKJLO-WMZOPIPTSA-N 2 1 302.462 3.073 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325798 627880101 /nfs/dbraw/zinc/88/01/01/627880101.db2.gz NKXPLVXKWNBZRJ-AABGKKOBSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000926354215 627883553 /nfs/dbraw/zinc/88/35/53/627883553.db2.gz OBCSGBYGPSBLAS-HLIPFELVSA-N 2 1 316.489 3.159 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000926573737 627916273 /nfs/dbraw/zinc/91/62/73/627916273.db2.gz PAZBAGAANZLQNH-BBRMVZONSA-N 2 1 308.853 3.233 20 0 DGADMP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CCCC1 ZINC000817575548 627922454 /nfs/dbraw/zinc/92/24/54/627922454.db2.gz IEYMBRIQQXJNIA-AWEZNQCLSA-N 2 1 314.433 3.013 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1(Br)CC1 ZINC000926739084 627943630 /nfs/dbraw/zinc/94/36/30/627943630.db2.gz NYRQPIFIMVQQCV-GXTWGEPZSA-N 2 1 315.299 3.014 20 0 DGADMP C([NH2+][C@H]1CCOC12CCCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739420 627944366 /nfs/dbraw/zinc/94/43/66/627944366.db2.gz RTGJYNDQUUYBJV-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817897378 627955225 /nfs/dbraw/zinc/95/52/25/627955225.db2.gz NBBDDTMRTBEBCN-WDSOQIARSA-N 2 1 301.478 3.084 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817896851 627955298 /nfs/dbraw/zinc/95/52/98/627955298.db2.gz WVUJIZJZANLACN-QLFBSQMISA-N 2 1 317.260 3.276 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1OC(C)C ZINC000817900394 627955856 /nfs/dbraw/zinc/95/58/56/627955856.db2.gz MPJXBTNUVWGDHH-HZPDHXFCSA-N 2 1 306.450 3.232 20 0 DGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817905433 627958005 /nfs/dbraw/zinc/95/80/05/627958005.db2.gz NAHBTXLNPRAGBO-UCVSXLDNSA-N 2 1 314.404 3.372 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])CCC2 ZINC000817922558 627962083 /nfs/dbraw/zinc/96/20/83/627962083.db2.gz YSCHMZFPJCLURR-CSMYWGQOSA-N 2 1 315.486 3.377 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC000817927358 627964239 /nfs/dbraw/zinc/96/42/39/627964239.db2.gz JXJSBMMBNLRYRW-ZACQAIPSSA-N 2 1 320.795 3.247 20 0 DGADMP O[C@@H](c1ccccc1)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000817932056 627965047 /nfs/dbraw/zinc/96/50/47/627965047.db2.gz QGVZCACZCOEKBM-RZQVSUQPSA-N 2 1 322.452 3.334 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817932707 627965742 /nfs/dbraw/zinc/96/57/42/627965742.db2.gz WPMMFSORSKBMRE-HRCADAONSA-N 2 1 307.869 3.444 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000927019427 627999028 /nfs/dbraw/zinc/99/90/28/627999028.db2.gz SJAYJFXDPYCTOF-YRPNKDGESA-N 2 1 316.489 3.323 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000927022015 627999783 /nfs/dbraw/zinc/99/97/83/627999783.db2.gz QBQJPPKYCSBLTO-ZGXWSNOMSA-N 2 1 316.489 3.180 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)oc21 ZINC000818431523 628022296 /nfs/dbraw/zinc/02/22/96/628022296.db2.gz OZYCIUAGZWOFIY-AWEZNQCLSA-N 2 1 314.429 3.405 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1cccc(Cl)c1)C(C)C ZINC000819126742 628096743 /nfs/dbraw/zinc/09/67/43/628096743.db2.gz QURZXQRNUIZNLT-KRWDZBQOSA-N 2 1 312.885 3.472 20 0 DGADMP c1cnc2c(c1)cccc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820808893 628299078 /nfs/dbraw/zinc/29/90/78/628299078.db2.gz PQPXFZGTXUAOFU-JLYLLQBASA-N 2 1 307.441 3.482 20 0 DGADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n[nH]1 ZINC000820820762 628300723 /nfs/dbraw/zinc/30/07/23/628300723.db2.gz BIEWPTAHQYDXJC-HIFRSBDPSA-N 2 1 300.450 3.062 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000821343198 628358736 /nfs/dbraw/zinc/35/87/36/628358736.db2.gz UZELPNQTDMLXHF-FQEVSTJZSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000821343198 628358739 /nfs/dbraw/zinc/35/87/39/628358739.db2.gz UZELPNQTDMLXHF-FQEVSTJZSA-N 2 1 318.505 3.032 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000821368208 628360344 /nfs/dbraw/zinc/36/03/44/628360344.db2.gz LZVIMMZATVNPDG-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659398 628476124 /nfs/dbraw/zinc/47/61/24/628476124.db2.gz PXHWLSCWNVKCEC-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659398 628476127 /nfs/dbraw/zinc/47/61/27/628476127.db2.gz PXHWLSCWNVKCEC-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659398 628476129 /nfs/dbraw/zinc/47/61/29/628476129.db2.gz PXHWLSCWNVKCEC-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659398 628476132 /nfs/dbraw/zinc/47/61/32/628476132.db2.gz PXHWLSCWNVKCEC-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccnc(Cl)c2F)C1 ZINC000823659429 628584188 /nfs/dbraw/zinc/58/41/88/628584188.db2.gz BBWNOVVWSHHCEB-BETUJISGSA-N 2 1 313.848 3.332 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000825325753 628749970 /nfs/dbraw/zinc/74/99/70/628749970.db2.gz ILASCHJDESOACT-KBPBESRZSA-N 2 1 324.852 3.089 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827963295 629008585 /nfs/dbraw/zinc/00/85/85/629008585.db2.gz HGJUYLWTKSCLDW-ZIAGYGMSSA-N 2 1 323.308 3.003 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827963292 629008648 /nfs/dbraw/zinc/00/86/48/629008648.db2.gz HGJUYLWTKSCLDW-KBPBESRZSA-N 2 1 323.308 3.003 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000834585094 629735181 /nfs/dbraw/zinc/73/51/81/629735181.db2.gz FXMBKFJZRJKNFJ-IAGOWNOFSA-N 2 1 308.491 3.432 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000841032287 630399207 /nfs/dbraw/zinc/39/92/07/630399207.db2.gz BAVLZACMXVMMIF-AEFFLSMTSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000841032291 630399429 /nfs/dbraw/zinc/39/94/29/630399429.db2.gz BAVLZACMXVMMIF-SJLPKXTDSA-N 3 1 307.526 3.009 20 0 DGADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841051529 630402419 /nfs/dbraw/zinc/40/24/19/630402419.db2.gz PKLGWVJDMCRABX-ZDUSSCGKSA-N 2 1 320.868 3.029 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC1(C)C ZINC000841756812 630462913 /nfs/dbraw/zinc/46/29/13/630462913.db2.gz AMGBKXCRMXESRV-BZSNNMDCSA-N 2 1 308.510 3.434 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000842471785 630538623 /nfs/dbraw/zinc/53/86/23/630538623.db2.gz ZVMORSUPQQINTE-UHFFFAOYSA-N 2 1 323.525 3.010 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1CCCN(c2ccccc2)C1=O ZINC000842472922 630539391 /nfs/dbraw/zinc/53/93/91/630539391.db2.gz KWRMGOFVYIBQQC-SFHVURJKSA-N 2 1 317.477 3.023 20 0 DGADMP CCCCCC[N@@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000842650870 630558834 /nfs/dbraw/zinc/55/88/34/630558834.db2.gz WCYVGTMTTDHEDL-UHFFFAOYSA-N 2 1 302.422 3.207 20 0 DGADMP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CO1 ZINC000842692846 630564142 /nfs/dbraw/zinc/56/41/42/630564142.db2.gz RGIIWNBGQOVTMM-MAUKXSAKSA-N 2 1 317.477 3.054 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000843047859 630608095 /nfs/dbraw/zinc/60/80/95/630608095.db2.gz ZAZJPYCMLGIMFI-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000843047859 630608097 /nfs/dbraw/zinc/60/80/97/630608097.db2.gz ZAZJPYCMLGIMFI-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP Cn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c(C2CCCCC2)n1 ZINC000843055092 630609496 /nfs/dbraw/zinc/60/94/96/630609496.db2.gz QEOWABDHCLYOMF-UHFFFAOYSA-N 2 1 304.482 3.170 20 0 DGADMP COc1ccc2nc(C[N@@H+](C)C3CCC([NH3+])CC3)sc2c1 ZINC000843054687 630609589 /nfs/dbraw/zinc/60/95/89/630609589.db2.gz BGNXYDCLMSIHOT-UHFFFAOYSA-N 2 1 305.447 3.007 20 0 DGADMP C[C@@]1(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]C1 ZINC000843119584 630615658 /nfs/dbraw/zinc/61/56/58/630615658.db2.gz UESDYEDOPUVEJT-GOEBONIOSA-N 2 1 312.379 3.494 20 0 DGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126968 630616421 /nfs/dbraw/zinc/61/64/21/630616421.db2.gz NMPMGZAFBXYIEI-SJLPKXTDSA-N 2 1 309.457 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000843126471 630616464 /nfs/dbraw/zinc/61/64/64/630616464.db2.gz GLGVYFQYPXRSDV-IEBWSBKVSA-N 3 1 303.494 3.148 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000843126471 630616468 /nfs/dbraw/zinc/61/64/68/630616468.db2.gz GLGVYFQYPXRSDV-IEBWSBKVSA-N 3 1 303.494 3.148 20 0 DGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126970 630616742 /nfs/dbraw/zinc/61/67/42/630616742.db2.gz NMPMGZAFBXYIEI-WMZOPIPTSA-N 2 1 309.457 3.446 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000843353145 630648648 /nfs/dbraw/zinc/64/86/48/630648648.db2.gz SGTBCMROLMUHJE-UHFFFAOYSA-N 2 1 302.249 3.210 20 0 DGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843354658 630648696 /nfs/dbraw/zinc/64/86/96/630648696.db2.gz ASPSPYGPCPOKCR-UHFFFAOYSA-N 2 1 316.367 3.286 20 0 DGADMP Clc1nc2ccccc2cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364056 630649838 /nfs/dbraw/zinc/64/98/38/630649838.db2.gz NAAPFFVIZNYTCQ-UHFFFAOYSA-N 2 1 315.848 3.464 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000843427064 630656890 /nfs/dbraw/zinc/65/68/90/630656890.db2.gz SXZVDLDRVYQKPD-RTWAWAEBSA-N 2 1 323.484 3.258 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])CCc1ccc(Br)cc1 ZINC000846218613 631215342 /nfs/dbraw/zinc/21/53/42/631215342.db2.gz TURBYMNWHQTYHO-UHFFFAOYSA-N 2 1 313.283 3.443 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nc2ccccc2s1 ZINC000846854801 631329591 /nfs/dbraw/zinc/32/95/91/631329591.db2.gz XPMXIJZOYILLCL-LBPRGKRZSA-N 2 1 300.431 3.313 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000848527240 631679259 /nfs/dbraw/zinc/67/92/59/631679259.db2.gz WCYUYWZQJCZMKD-BEFAXECRSA-N 2 1 320.452 3.162 20 0 DGADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)SC ZINC000848531234 631680982 /nfs/dbraw/zinc/68/09/82/631680982.db2.gz MCNDGAPRPYVSSD-INIZCTEOSA-N 2 1 314.539 3.141 20 0 DGADMP CC(C)c1ccccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000848533676 631682010 /nfs/dbraw/zinc/68/20/10/631682010.db2.gz MOHMCXIHFJDMCC-UHFFFAOYSA-N 2 1 317.521 3.173 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848599235 631704947 /nfs/dbraw/zinc/70/49/47/631704947.db2.gz FECUDNLVJLVPMA-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848599235 631704954 /nfs/dbraw/zinc/70/49/54/631704954.db2.gz FECUDNLVJLVPMA-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)cc1 ZINC000848987889 631798062 /nfs/dbraw/zinc/79/80/62/631798062.db2.gz MKMWFYSLXZMHBJ-UHFFFAOYSA-N 2 1 306.454 3.140 20 0 DGADMP C[C@H]1C[C@@H](CCNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000848989444 631798922 /nfs/dbraw/zinc/79/89/22/631798922.db2.gz QVCRHSCWVCKIJA-DOTOQJQBSA-N 2 1 316.493 3.200 20 0 DGADMP CCN(CC)C(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989271 631799291 /nfs/dbraw/zinc/79/92/91/631799291.db2.gz JXLYJXNHTCCEAA-WMZOPIPTSA-N 2 1 316.493 3.153 20 0 DGADMP C[N@@H+](Cc1ccccc1CNC(=[NH2+])N1CCC1)C1CCCCC1 ZINC000848996681 631801034 /nfs/dbraw/zinc/80/10/34/631801034.db2.gz PKQNVCBDVKWHOC-UHFFFAOYSA-N 2 1 314.477 3.181 20 0 DGADMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000849004345 631803672 /nfs/dbraw/zinc/80/36/72/631803672.db2.gz MLHKRGUUAISTLP-UHFFFAOYSA-N 2 1 306.454 3.142 20 0 DGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000849023164 631809091 /nfs/dbraw/zinc/80/90/91/631809091.db2.gz RLNXQCOEQITVOQ-QGZVFWFLSA-N 2 1 300.450 3.257 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C2CCC2)cc1 ZINC000849097624 631834542 /nfs/dbraw/zinc/83/45/42/631834542.db2.gz BZYAHIVCRUBBOJ-GOSISDBHSA-N 2 1 314.477 3.052 20 0 DGADMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000849105908 631836949 /nfs/dbraw/zinc/83/69/49/631836949.db2.gz IIYRVDAKUWLRGN-RDJZCZTQSA-N 2 1 306.498 3.040 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849111258 631838082 /nfs/dbraw/zinc/83/80/82/631838082.db2.gz VXDSENWPKMXATG-QGZVFWFLSA-N 2 1 314.477 3.232 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000849349780 631900197 /nfs/dbraw/zinc/90/01/97/631900197.db2.gz IXZRTLLWRLPRMG-JEDBISTDSA-N 2 1 320.452 3.066 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cnc1Cl ZINC000849350129 631900396 /nfs/dbraw/zinc/90/03/96/631900396.db2.gz KREXWXDSLZMSLQ-INIZCTEOSA-N 2 1 307.869 3.255 20 0 DGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350038 631900638 /nfs/dbraw/zinc/90/06/38/631900638.db2.gz IWBJSMVZVQGVML-SFHVURJKSA-N 2 1 309.457 3.446 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367325 632126749 /nfs/dbraw/zinc/12/67/49/632126749.db2.gz DTJFULAZADQTQH-GOSISDBHSA-N 2 1 316.489 3.446 20 0 DGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381060 632134125 /nfs/dbraw/zinc/13/41/25/632134125.db2.gz ALOIQVIVTFAYNL-YDHLFZDLSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381060 632134127 /nfs/dbraw/zinc/13/41/27/632134127.db2.gz ALOIQVIVTFAYNL-YDHLFZDLSA-N 2 1 320.399 3.093 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2SCCS2)CC[N@H+]1Cc1ccccc1 ZINC000850401922 632140605 /nfs/dbraw/zinc/14/06/05/632140605.db2.gz JRCLTBYVSGWFTN-GDBMZVCRSA-N 2 1 322.543 3.435 20 0 DGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000850435398 632152111 /nfs/dbraw/zinc/15/21/11/632152111.db2.gz NEMXJZJGELMMRH-BDXSIMOUSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851813296 632500994 /nfs/dbraw/zinc/50/09/94/632500994.db2.gz RPMDFGIZERBUMA-WMZOPIPTSA-N 2 1 324.509 3.114 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(F)F ZINC000852019361 632540594 /nfs/dbraw/zinc/54/05/94/632540594.db2.gz XFWXNIFCYGUMFT-OAHLLOKOSA-N 2 1 312.404 3.116 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(F)F ZINC000852019361 632540596 /nfs/dbraw/zinc/54/05/96/632540596.db2.gz XFWXNIFCYGUMFT-OAHLLOKOSA-N 2 1 312.404 3.116 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)C1 ZINC000852021656 632540628 /nfs/dbraw/zinc/54/06/28/632540628.db2.gz BEDBHVUXFKZSMB-BRWVUGGUSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021656 632540629 /nfs/dbraw/zinc/54/06/29/632540629.db2.gz BEDBHVUXFKZSMB-BRWVUGGUSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021656 632540631 /nfs/dbraw/zinc/54/06/31/632540631.db2.gz BEDBHVUXFKZSMB-BRWVUGGUSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021656 632540632 /nfs/dbraw/zinc/54/06/32/632540632.db2.gz BEDBHVUXFKZSMB-BRWVUGGUSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021656 632540633 /nfs/dbraw/zinc/54/06/33/632540633.db2.gz BEDBHVUXFKZSMB-BRWVUGGUSA-N 2 1 322.518 3.378 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1cccc3ccccc31)C2 ZINC000852106879 632556486 /nfs/dbraw/zinc/55/64/86/632556486.db2.gz FNYYOAAWTKFBMO-SFTDATJTSA-N 2 1 324.468 3.291 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1cccc3ccccc31)C2 ZINC000852106879 632556488 /nfs/dbraw/zinc/55/64/88/632556488.db2.gz FNYYOAAWTKFBMO-SFTDATJTSA-N 2 1 324.468 3.291 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1cccc3ccccc31)C2 ZINC000852106879 632556491 /nfs/dbraw/zinc/55/64/91/632556491.db2.gz FNYYOAAWTKFBMO-SFTDATJTSA-N 2 1 324.468 3.291 20 0 DGADMP O[C@@H](CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccccc1 ZINC000852115263 632557468 /nfs/dbraw/zinc/55/74/68/632557468.db2.gz DPCNNDWHTVAKQL-NRFANRHFSA-N 2 1 324.468 3.364 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000355828642 660331174 /nfs/dbraw/zinc/33/11/74/660331174.db2.gz ZKMUMYIZOFDVKG-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000355828642 660331175 /nfs/dbraw/zinc/33/11/75/660331175.db2.gz ZKMUMYIZOFDVKG-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000355828642 660331176 /nfs/dbraw/zinc/33/11/76/660331176.db2.gz ZKMUMYIZOFDVKG-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCc4ccccc4OC3)CC[NH2+]2)cc1 ZINC000423115361 660489949 /nfs/dbraw/zinc/48/99/49/660489949.db2.gz NCHNESAENJROQH-AQNXPRMDSA-N 2 1 322.452 3.463 20 0 DGADMP CCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702566592 660730358 /nfs/dbraw/zinc/73/03/58/660730358.db2.gz KFORBUMKENNRTQ-MJGOQNOKSA-N 2 1 304.478 3.182 20 0 DGADMP CCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702566592 660730361 /nfs/dbraw/zinc/73/03/61/660730361.db2.gz KFORBUMKENNRTQ-MJGOQNOKSA-N 2 1 304.478 3.182 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929470588 661310348 /nfs/dbraw/zinc/31/03/48/661310348.db2.gz NTNUEQRVHLXUHS-CABCVRRESA-N 2 1 322.415 3.291 20 0 DGADMP c1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000929509313 661313518 /nfs/dbraw/zinc/31/35/18/661313518.db2.gz IRXVSRZYXCVWJJ-MRXNPFEDSA-N 2 1 307.507 3.274 20 0 DGADMP c1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000929509313 661313521 /nfs/dbraw/zinc/31/35/21/661313521.db2.gz IRXVSRZYXCVWJJ-MRXNPFEDSA-N 2 1 307.507 3.274 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792911106 660993309 /nfs/dbraw/zinc/99/33/09/660993309.db2.gz FZXKVELAAKKSLL-UONOGXRCSA-N 2 1 316.276 3.487 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792911106 660993311 /nfs/dbraw/zinc/99/33/11/660993311.db2.gz FZXKVELAAKKSLL-UONOGXRCSA-N 2 1 316.276 3.487 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000793522339 661041031 /nfs/dbraw/zinc/04/10/31/661041031.db2.gz FWAALEOLCSZABZ-HLLBOEOZSA-N 2 1 306.498 3.137 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C)nn2C)c1 ZINC000793525996 661041790 /nfs/dbraw/zinc/04/17/90/661041790.db2.gz LFBOTOXNFCWYCB-OAHLLOKOSA-N 2 1 300.450 3.031 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794601890 661093328 /nfs/dbraw/zinc/09/33/28/661093328.db2.gz GKQDYWYPQGPCIK-MOPGFXCFSA-N 2 1 315.461 3.320 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794601896 661093353 /nfs/dbraw/zinc/09/33/53/661093353.db2.gz GKQDYWYPQGPCIK-RTBURBONSA-N 2 1 315.461 3.320 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000932335428 655537018 /nfs/dbraw/zinc/53/70/18/655537018.db2.gz KUCPVRIOPSIIOB-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246901208 655569529 /nfs/dbraw/zinc/56/95/29/655569529.db2.gz RLSKEWWPRBESEY-HKUYNNGSSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246901208 655569532 /nfs/dbraw/zinc/56/95/32/655569532.db2.gz RLSKEWWPRBESEY-HKUYNNGSSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246901208 655569533 /nfs/dbraw/zinc/56/95/33/655569533.db2.gz RLSKEWWPRBESEY-HKUYNNGSSA-N 2 1 314.473 3.323 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC[NH+]2CCCC2)CC1 ZINC000089909853 655579633 /nfs/dbraw/zinc/57/96/33/655579633.db2.gz AZFQUEHHNOOBDY-SFHVURJKSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCN2CCCC2)CC1 ZINC000089909853 655579634 /nfs/dbraw/zinc/57/96/34/655579634.db2.gz AZFQUEHHNOOBDY-SFHVURJKSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCN2CCCC2)CC1 ZINC000089909853 655579635 /nfs/dbraw/zinc/57/96/35/655579635.db2.gz AZFQUEHHNOOBDY-SFHVURJKSA-N 2 1 307.526 3.059 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000261856206 655678121 /nfs/dbraw/zinc/67/81/21/655678121.db2.gz JYMWLPNPWASYRI-VUCTXSBTSA-N 2 1 312.413 3.499 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795900298 661177912 /nfs/dbraw/zinc/17/79/12/661177912.db2.gz VOICYZNIAXYMSA-QGZVFWFLSA-N 2 1 324.509 3.021 20 0 DGADMP CC[C@H](OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733457 655731383 /nfs/dbraw/zinc/73/13/83/655731383.db2.gz JTZLAUGLOXKYED-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733457 655731384 /nfs/dbraw/zinc/73/13/84/655731384.db2.gz JTZLAUGLOXKYED-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733457 655731385 /nfs/dbraw/zinc/73/13/85/655731385.db2.gz JTZLAUGLOXKYED-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733457 655731386 /nfs/dbraw/zinc/73/13/86/655731386.db2.gz JTZLAUGLOXKYED-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161347101 655787819 /nfs/dbraw/zinc/78/78/19/655787819.db2.gz QHQODTUYZRGOEA-IYBDPMFKSA-N 2 1 324.509 3.018 20 0 DGADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)C1C[NH2+]C1 ZINC000714224015 661197552 /nfs/dbraw/zinc/19/75/52/661197552.db2.gz NFFQDJDGCKYLSB-KRWDZBQOSA-N 2 1 315.505 3.019 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309702507 655876511 /nfs/dbraw/zinc/87/65/11/655876511.db2.gz GSQFEWJAKWIRMY-QFBILLFUSA-N 2 1 304.478 3.302 20 0 DGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707627 655935070 /nfs/dbraw/zinc/93/50/70/655935070.db2.gz RRSGQQNOHJIDND-PKOBYXMFSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707627 655935072 /nfs/dbraw/zinc/93/50/72/655935072.db2.gz RRSGQQNOHJIDND-PKOBYXMFSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001025005157 655955717 /nfs/dbraw/zinc/95/57/17/655955717.db2.gz HDDLDVFGODDJBU-KRWDZBQOSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310023878 656133011 /nfs/dbraw/zinc/13/30/11/656133011.db2.gz SXOMJUHRMVNPIJ-HKUYNNGSSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000310023878 656133014 /nfs/dbraw/zinc/13/30/14/656133014.db2.gz SXOMJUHRMVNPIJ-HKUYNNGSSA-N 2 1 303.494 3.006 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000318985182 656141763 /nfs/dbraw/zinc/14/17/63/656141763.db2.gz KNMIKKACFPVZNR-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000318985182 656141765 /nfs/dbraw/zinc/14/17/65/656141765.db2.gz KNMIKKACFPVZNR-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000318985182 656141766 /nfs/dbraw/zinc/14/17/66/656141766.db2.gz KNMIKKACFPVZNR-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000313558284 656291217 /nfs/dbraw/zinc/29/12/17/656291217.db2.gz MAIVOWIDTINXGK-PZJWPPBQSA-N 2 1 324.468 3.222 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000313604197 656297387 /nfs/dbraw/zinc/29/73/87/656297387.db2.gz AYUPXOAZFCSGJQ-IOMROCGXSA-N 2 1 324.468 3.363 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000313604197 656297390 /nfs/dbraw/zinc/29/73/90/656297390.db2.gz AYUPXOAZFCSGJQ-IOMROCGXSA-N 2 1 324.468 3.363 20 0 DGADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000067121179 656993100 /nfs/dbraw/zinc/99/31/00/656993100.db2.gz KZELVXQTGHBWOK-IYBDPMFKSA-N 2 1 308.441 3.113 20 0 DGADMP c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)sc1-c1ccccc1 ZINC000261967095 657266039 /nfs/dbraw/zinc/26/60/39/657266039.db2.gz HVRSEKUAPCCVCF-UHFFFAOYSA-N 2 1 313.470 3.386 20 0 DGADMP FC(F)(F)Oc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262136194 657395665 /nfs/dbraw/zinc/39/56/65/657395665.db2.gz YRZHTPVEGLHTHO-UHFFFAOYSA-N 2 1 314.351 3.161 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262142884 657403124 /nfs/dbraw/zinc/40/31/24/657403124.db2.gz ZHNXACLODXTXHZ-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262142884 657403126 /nfs/dbraw/zinc/40/31/26/657403126.db2.gz ZHNXACLODXTXHZ-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377783 657443646 /nfs/dbraw/zinc/44/36/46/657443646.db2.gz HBUIDRTUBKUWBD-CRAIPNDOSA-N 2 1 306.498 3.325 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377783 657443651 /nfs/dbraw/zinc/44/36/51/657443651.db2.gz HBUIDRTUBKUWBD-CRAIPNDOSA-N 2 1 306.498 3.325 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251634783 657526323 /nfs/dbraw/zinc/52/63/23/657526323.db2.gz FPDCTUBCEBAUIO-JTNHKYCSSA-N 2 1 302.340 3.315 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC)CC1 ZINC000964153043 658264731 /nfs/dbraw/zinc/26/47/31/658264731.db2.gz KQGJNFIEYOMXOU-DAWZGUTISA-N 2 1 323.525 3.020 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000321660647 658275981 /nfs/dbraw/zinc/27/59/81/658275981.db2.gz QWLHATXMOFQFKR-MDZRGWNJSA-N 2 1 314.473 3.252 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000321660647 658275987 /nfs/dbraw/zinc/27/59/87/658275987.db2.gz QWLHATXMOFQFKR-MDZRGWNJSA-N 2 1 314.473 3.252 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764470 658404586 /nfs/dbraw/zinc/40/45/86/658404586.db2.gz DGLNECLPRCIDAE-GXTWGEPZSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764470 658404594 /nfs/dbraw/zinc/40/45/94/658404594.db2.gz DGLNECLPRCIDAE-GXTWGEPZSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425424 658516928 /nfs/dbraw/zinc/51/69/28/658516928.db2.gz MZKJQWQXNDIKOC-HOTGVXAUSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425424 658516938 /nfs/dbraw/zinc/51/69/38/658516938.db2.gz MZKJQWQXNDIKOC-HOTGVXAUSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C[C@@H]1C[NH3+] ZINC000163914173 658908977 /nfs/dbraw/zinc/90/89/77/658908977.db2.gz GNSGLQZIRXOXLY-DOMZBBRYSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C[C@@H]1C[NH3+] ZINC000163914173 658908982 /nfs/dbraw/zinc/90/89/82/658908982.db2.gz GNSGLQZIRXOXLY-DOMZBBRYSA-N 2 1 303.837 3.305 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000227585527 659158834 /nfs/dbraw/zinc/15/88/34/659158834.db2.gz NUKMPLNHISCFDK-UHFFFAOYSA-N 2 1 319.449 3.217 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946825 659406409 /nfs/dbraw/zinc/40/64/09/659406409.db2.gz FZWMONLTLPVGQL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946825 659406411 /nfs/dbraw/zinc/40/64/11/659406411.db2.gz FZWMONLTLPVGQL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946825 659406416 /nfs/dbraw/zinc/40/64/16/659406416.db2.gz FZWMONLTLPVGQL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946825 659406418 /nfs/dbraw/zinc/40/64/18/659406418.db2.gz FZWMONLTLPVGQL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP Cc1[nH]c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000929645021 659502200 /nfs/dbraw/zinc/50/22/00/659502200.db2.gz ZWIQQPUYKZIGTN-YOEHRIQHSA-N 2 1 304.482 3.113 20 0 DGADMP Cc1[nH]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000929645021 659502204 /nfs/dbraw/zinc/50/22/04/659502204.db2.gz ZWIQQPUYKZIGTN-YOEHRIQHSA-N 2 1 304.482 3.113 20 0 DGADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000930061177 659902114 /nfs/dbraw/zinc/90/21/14/659902114.db2.gz OXENFLBIGNQMBM-XSIBGMEISA-N 2 1 310.432 3.226 20 0 DGADMP FC1(F)[C@@H]2C[C@@H](C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000930061177 659902115 /nfs/dbraw/zinc/90/21/15/659902115.db2.gz OXENFLBIGNQMBM-XSIBGMEISA-N 2 1 310.432 3.226 20 0 DGADMP FC1(F)[C@@H]2C[C@@H](C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000930061177 659902117 /nfs/dbraw/zinc/90/21/17/659902117.db2.gz OXENFLBIGNQMBM-XSIBGMEISA-N 2 1 310.432 3.226 20 0 DGADMP C[C@H](c1ncccn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930080375 659904297 /nfs/dbraw/zinc/90/42/97/659904297.db2.gz UWWJGLHESFGEMA-MRXNPFEDSA-N 2 1 302.466 3.126 20 0 DGADMP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089908800 659909754 /nfs/dbraw/zinc/90/97/54/659909754.db2.gz LHSXZSLJXUWFTC-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929961347 661353738 /nfs/dbraw/zinc/35/37/38/661353738.db2.gz LIAWPSVHKVJYST-IAGOWNOFSA-N 2 1 308.416 3.498 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC000930070273 661363380 /nfs/dbraw/zinc/36/33/80/661363380.db2.gz RTMWZTMECREXKS-GOSISDBHSA-N 2 1 317.477 3.340 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOC2CCSCC2)cc1 ZINC000930117751 661368114 /nfs/dbraw/zinc/36/81/14/661368114.db2.gz XIUVSONSQNNKIW-UHFFFAOYSA-N 2 1 322.518 3.092 20 0 DGADMP COC[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000930267028 661383388 /nfs/dbraw/zinc/38/33/88/661383388.db2.gz PHFFAVDDJNJULQ-QGZVFWFLSA-N 2 1 319.493 3.317 20 0 DGADMP COC/C(C)=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000930346399 661391088 /nfs/dbraw/zinc/39/10/88/661391088.db2.gz DNOVXBUARQEIFI-RPXHZFJKSA-N 2 1 316.489 3.469 20 0 DGADMP COC/C(C)=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000930346399 661391090 /nfs/dbraw/zinc/39/10/90/661391090.db2.gz DNOVXBUARQEIFI-RPXHZFJKSA-N 2 1 316.489 3.469 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000931318087 661466175 /nfs/dbraw/zinc/46/61/75/661466175.db2.gz RNUYUOKRCTXTDQ-XUVXKRRUSA-N 2 1 316.489 3.428 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000931356523 661470207 /nfs/dbraw/zinc/47/02/07/661470207.db2.gz LHZJUBPGYFACIR-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433352 661476163 /nfs/dbraw/zinc/47/61/63/661476163.db2.gz YXUKUWXRYFSCKU-AEGPPILISA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433352 661476165 /nfs/dbraw/zinc/47/61/65/661476165.db2.gz YXUKUWXRYFSCKU-AEGPPILISA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433352 661476167 /nfs/dbraw/zinc/47/61/67/661476167.db2.gz YXUKUWXRYFSCKU-AEGPPILISA-N 2 1 310.388 3.233 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931442093 661476879 /nfs/dbraw/zinc/47/68/79/661476879.db2.gz UGNKLNOAKKCQHD-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442093 661476880 /nfs/dbraw/zinc/47/68/80/661476880.db2.gz UGNKLNOAKKCQHD-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442093 661476882 /nfs/dbraw/zinc/47/68/82/661476882.db2.gz UGNKLNOAKKCQHD-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP CC(C)C[N@@H+](CCCc1cccnc1)CC1CC[NH+](C)CC1 ZINC000931563627 661488994 /nfs/dbraw/zinc/48/89/94/661488994.db2.gz HXLLFXPMKVGDNP-UHFFFAOYSA-N 2 1 303.494 3.314 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC3(CCC3)O2)CCN1c1cc[nH+]cc1 ZINC000931683205 661497478 /nfs/dbraw/zinc/49/74/78/661497478.db2.gz HPIGONXHXNAHCP-AEFFLSMTSA-N 2 1 315.461 3.084 20 0 DGADMP C[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OCc1ccccc1 ZINC000931720649 661502429 /nfs/dbraw/zinc/50/24/29/661502429.db2.gz VLUHRMUPEGTLLQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OCc1ccccc1 ZINC000931720649 661502431 /nfs/dbraw/zinc/50/24/31/661502431.db2.gz VLUHRMUPEGTLLQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H](CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)OCc1ccccc1 ZINC000931720649 661502433 /nfs/dbraw/zinc/50/24/33/661502433.db2.gz VLUHRMUPEGTLLQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H](CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)OCc1ccccc1 ZINC000931720649 661502435 /nfs/dbraw/zinc/50/24/35/661502435.db2.gz VLUHRMUPEGTLLQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931918568 661522176 /nfs/dbraw/zinc/52/21/76/661522176.db2.gz VOQXVTPNKHZZRC-OLZOCXBDSA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931918568 661522179 /nfs/dbraw/zinc/52/21/79/661522179.db2.gz VOQXVTPNKHZZRC-OLZOCXBDSA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931918568 661522180 /nfs/dbraw/zinc/52/21/80/661522180.db2.gz VOQXVTPNKHZZRC-OLZOCXBDSA-N 2 1 308.363 3.227 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC000933741945 661655215 /nfs/dbraw/zinc/65/52/15/661655215.db2.gz KXKAFYUPTFQLKU-XLIONFOSSA-N 2 1 310.441 3.102 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC000933741945 661655217 /nfs/dbraw/zinc/65/52/17/661655217.db2.gz KXKAFYUPTFQLKU-XLIONFOSSA-N 2 1 310.441 3.102 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC000933741945 661655218 /nfs/dbraw/zinc/65/52/18/661655218.db2.gz KXKAFYUPTFQLKU-XLIONFOSSA-N 2 1 310.441 3.102 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)COCc1ccccc1 ZINC000192758934 662110575 /nfs/dbraw/zinc/11/05/75/662110575.db2.gz GRUTZRBOKPCWRN-UXDRXVOSSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246901230 662289984 /nfs/dbraw/zinc/28/99/84/662289984.db2.gz RLSKEWWPRBESEY-PKOBYXMFSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246901230 662289986 /nfs/dbraw/zinc/28/99/86/662289986.db2.gz RLSKEWWPRBESEY-PKOBYXMFSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246901230 662289988 /nfs/dbraw/zinc/28/99/88/662289988.db2.gz RLSKEWWPRBESEY-PKOBYXMFSA-N 2 1 314.473 3.323 20 0 DGADMP C[N@@H+](Cc1cc(F)ccc1Br)C1CCC([NH3+])CC1 ZINC000091847203 662321730 /nfs/dbraw/zinc/32/17/30/662321730.db2.gz MFQSJMGNAHZJKB-UHFFFAOYSA-N 2 1 315.230 3.290 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000075642703 685060548 /nfs/dbraw/zinc/06/05/48/685060548.db2.gz YTSBMTAXHHIMEV-FQEVSTJZSA-N 2 1 318.505 3.472 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384673902 685171970 /nfs/dbraw/zinc/17/19/70/685171970.db2.gz YNWWVRVGYSVLFL-ZAWLATJESA-N 2 1 302.462 3.054 20 0 DGADMP [NH3+]CCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000399441568 685241466 /nfs/dbraw/zinc/24/14/66/685241466.db2.gz WEMILGCZIUSCCR-CQSZACIVSA-N 2 1 301.261 3.421 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)[C@H]1CC[NH3+] ZINC001576709143 1191864778 /nfs/dbraw/zinc/86/47/78/1191864778.db2.gz OHGWHYJMEFGGAM-BBRMVZONSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)[C@H]1CC[NH3+] ZINC001576709143 1191864780 /nfs/dbraw/zinc/86/47/80/1191864780.db2.gz OHGWHYJMEFGGAM-BBRMVZONSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001576731923 1191866079 /nfs/dbraw/zinc/86/60/79/1191866079.db2.gz OYRHWFOUPNEPIF-OCCSQVGLSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001576749507 1191867465 /nfs/dbraw/zinc/86/74/65/1191867465.db2.gz QPXHMIYETQUCFM-TYNCELHUSA-N 2 1 316.367 3.104 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001576798122 1191869986 /nfs/dbraw/zinc/86/99/86/1191869986.db2.gz MVWAURUCMQZFJP-KGLIPLIRSA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001576809256 1191870530 /nfs/dbraw/zinc/87/05/30/1191870530.db2.gz RHDUISFCBQDEES-GHMZBOCLSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001576809256 1191870533 /nfs/dbraw/zinc/87/05/33/1191870533.db2.gz RHDUISFCBQDEES-GHMZBOCLSA-N 2 1 320.330 3.141 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC001577052166 1191882711 /nfs/dbraw/zinc/88/27/11/1191882711.db2.gz KULKKJYLLUBAER-UHFFFAOYSA-N 2 1 317.433 3.205 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001577249506 1191890125 /nfs/dbraw/zinc/89/01/25/1191890125.db2.gz IOPFEOZDXADJON-LFGUQSLTSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249506 1191890128 /nfs/dbraw/zinc/89/01/28/1191890128.db2.gz IOPFEOZDXADJON-LFGUQSLTSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249506 1191890130 /nfs/dbraw/zinc/89/01/30/1191890130.db2.gz IOPFEOZDXADJON-LFGUQSLTSA-N 2 1 319.537 3.103 20 0 DGADMP CCCCOc1cccc(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)c1 ZINC001577473433 1191903782 /nfs/dbraw/zinc/90/37/82/1191903782.db2.gz XXDOUGGQUCWNPX-CYBMUJFWSA-N 2 1 304.356 3.235 20 0 DGADMP CCCn1c(C[NH2+]Cc2ccccc2C[NH3+])nc2ccccc21 ZINC001577620392 1191909724 /nfs/dbraw/zinc/90/97/24/1191909724.db2.gz XQFVZPKVUHVSCT-UHFFFAOYSA-N 2 1 308.429 3.195 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C[C@H]1C[NH3+] ZINC001578157806 1191928310 /nfs/dbraw/zinc/92/83/10/1191928310.db2.gz XGKLMAVIMCGESH-YLJYHZDGSA-N 2 1 314.473 3.237 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001578179460 1191929486 /nfs/dbraw/zinc/92/94/86/1191929486.db2.gz LIUFDLCPZIPJNX-GFCCVEGCSA-N 2 1 324.774 3.151 20 0 DGADMP CCSc1ccccc1C[N@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001578221847 1191933082 /nfs/dbraw/zinc/93/30/82/1191933082.db2.gz SVASTPCPQGJPKQ-OAHLLOKOSA-N 2 1 320.502 3.142 20 0 DGADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001578458084 1191945157 /nfs/dbraw/zinc/94/51/57/1191945157.db2.gz IROGBBAIZJUMPO-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001578627919 1191949882 /nfs/dbraw/zinc/94/98/82/1191949882.db2.gz YBOXHOWNJKQQCS-SNVBAGLBSA-N 2 1 311.401 3.033 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001579192642 1191968199 /nfs/dbraw/zinc/96/81/99/1191968199.db2.gz DLKPHFNZEHNNBV-LPHOPBHVSA-N 2 1 302.462 3.264 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC001579302362 1191973278 /nfs/dbraw/zinc/97/32/78/1191973278.db2.gz LBYSHPVJQRXCDB-RIVXBTQJSA-N 2 1 300.446 3.078 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001579302356 1191973498 /nfs/dbraw/zinc/97/34/98/1191973498.db2.gz LBYSHPVJQRXCDB-HIRMHNASSA-N 2 1 300.446 3.078 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C(C)C ZINC001579306283 1191973517 /nfs/dbraw/zinc/97/35/17/1191973517.db2.gz LIVGYMHPHMRCIC-UONOGXRCSA-N 2 1 318.383 3.132 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC001579579335 1191980422 /nfs/dbraw/zinc/98/04/22/1191980422.db2.gz FJHTYJCUUFRDTR-CVEARBPZSA-N 2 1 314.395 3.305 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC001579635268 1191983271 /nfs/dbraw/zinc/98/32/71/1191983271.db2.gz CJRLQAMFALVSEB-HRCADAONSA-N 2 1 302.466 3.321 20 0 DGADMP Cc1cc(NCC2(C[NH3+])CCC2)c[nH+]c1N1CCCC[C@@H]1C ZINC001579636140 1191983469 /nfs/dbraw/zinc/98/34/69/1191983469.db2.gz TUZLBLFATSDFNO-HNNXBMFYSA-N 2 1 302.466 3.310 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001579656216 1191984522 /nfs/dbraw/zinc/98/45/22/1191984522.db2.gz UAVAPELJDVUONV-SFHVURJKSA-N 2 1 324.472 3.253 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC001579685326 1191986795 /nfs/dbraw/zinc/98/67/95/1191986795.db2.gz KTMXTASKOVQTGO-HOTGVXAUSA-N 2 1 314.395 3.387 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC001579882914 1191997898 /nfs/dbraw/zinc/99/78/98/1191997898.db2.gz HZUBMABOHCNQNL-UHFFFAOYSA-N 2 1 321.428 3.016 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001579887477 1191998543 /nfs/dbraw/zinc/99/85/43/1191998543.db2.gz CIFDTVHPEIHNJD-INIZCTEOSA-N 2 1 307.507 3.368 20 0 DGADMP [NH3+][C@@H](C[NH2+]CCCCOc1ccc(Cl)cc1)CC(F)(F)F ZINC001580133410 1192009102 /nfs/dbraw/zinc/00/91/02/1192009102.db2.gz YCQCKFMVIRPSMC-GFCCVEGCSA-N 2 1 324.774 3.368 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1C[C@H](Sc2ccccc2)C1)CC(F)(F)F ZINC001580133024 1192009225 /nfs/dbraw/zinc/00/92/25/1192009225.db2.gz SZAIORNBENBKIK-GVXVVHGQSA-N 2 1 304.381 3.179 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)C12CCC2 ZINC001580162552 1192011032 /nfs/dbraw/zinc/01/10/32/1192011032.db2.gz BVCGSSAHSKQWBD-QWHCGFSZSA-N 2 1 305.472 3.231 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC001580164734 1192011242 /nfs/dbraw/zinc/01/12/42/1192011242.db2.gz RMMYAPSVFSDDAM-QWHCGFSZSA-N 2 1 302.315 3.204 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)C12CCC2 ZINC001580164808 1192011364 /nfs/dbraw/zinc/01/13/64/1192011364.db2.gz SAPNLMWGEVDCNE-MOPGFXCFSA-N 2 1 323.440 3.020 20 0 DGADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001580173587 1192011906 /nfs/dbraw/zinc/01/19/06/1192011906.db2.gz XYTFLEQCAIMYGW-CTWPCTMYSA-N 3 1 313.489 3.043 20 0 DGADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001580173587 1192011908 /nfs/dbraw/zinc/01/19/08/1192011908.db2.gz XYTFLEQCAIMYGW-CTWPCTMYSA-N 3 1 313.489 3.043 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H](O)c2ccc(Cl)cc2)CCC1 ZINC001580239555 1192015595 /nfs/dbraw/zinc/01/55/95/1192015595.db2.gz FWXTVZMPMBUSAQ-IRXDYDNUSA-N 2 1 322.880 3.357 20 0 DGADMP [NH3+]C[C@H]1CCCC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001580260813 1192016992 /nfs/dbraw/zinc/01/69/92/1192016992.db2.gz SFKGTPBOIYUCJV-CYBMUJFWSA-N 2 1 310.388 3.011 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@H]1C(F)(F)F ZINC001580274216 1192018513 /nfs/dbraw/zinc/01/85/13/1192018513.db2.gz GKUQATYBYZOJMI-UONOGXRCSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@H]1C(F)(F)F ZINC001580274216 1192018514 /nfs/dbraw/zinc/01/85/14/1192018514.db2.gz GKUQATYBYZOJMI-UONOGXRCSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001580331184 1192021955 /nfs/dbraw/zinc/02/19/55/1192021955.db2.gz GLFXGRDPVJMXBJ-MPGHIAIKSA-N 2 1 306.425 3.044 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc3c2OCC3)C1 ZINC001620724265 1192075878 /nfs/dbraw/zinc/07/58/78/1192075878.db2.gz PDNLQLCLDIGOQO-HZPDHXFCSA-N 2 1 302.462 3.079 20 0 DGADMP CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)n1 ZINC001620868613 1192492621 /nfs/dbraw/zinc/49/26/21/1192492621.db2.gz JRFZDUQBNRIPAU-KRWDZBQOSA-N 2 1 306.498 3.059 20 0 DGADMP CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC001620868613 1192492625 /nfs/dbraw/zinc/49/26/25/1192492625.db2.gz JRFZDUQBNRIPAU-KRWDZBQOSA-N 2 1 306.498 3.059 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001620886448 1192537330 /nfs/dbraw/zinc/53/73/30/1192537330.db2.gz KEAMSXQTYAYHGW-OAHLLOKOSA-N 2 1 313.445 3.125 20 0 DGADMP Cc1ccc(-c2ccccc2C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC001620892909 1192560327 /nfs/dbraw/zinc/56/03/27/1192560327.db2.gz WSPHZWDPRKCTKB-NRFANRHFSA-N 2 1 324.468 3.127 20 0 DGADMP Cc1ccc(-c2ccccc2C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC001620892909 1192560331 /nfs/dbraw/zinc/56/03/31/1192560331.db2.gz WSPHZWDPRKCTKB-NRFANRHFSA-N 2 1 324.468 3.127 20 0 DGADMP COCC[NH+]1CCC([NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000129464655 1176432611 /nfs/dbraw/zinc/43/26/11/1176432611.db2.gz AWCWHCZHCBJGSV-UHFFFAOYSA-N 2 1 316.489 3.413 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)oc21 ZINC000378905337 1176751888 /nfs/dbraw/zinc/75/18/88/1176751888.db2.gz YSKAIUZCLYEXSO-GJZGRUSLSA-N 2 1 300.402 3.158 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)oc21 ZINC000378905337 1176751890 /nfs/dbraw/zinc/75/18/90/1176751890.db2.gz YSKAIUZCLYEXSO-GJZGRUSLSA-N 2 1 300.402 3.158 20 0 DGADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168041987 1177092809 /nfs/dbraw/zinc/09/28/09/1177092809.db2.gz XJVLNURXMJNJCI-OPVJXMOQSA-N 2 1 315.505 3.066 20 0 DGADMP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000387219201 1177458746 /nfs/dbraw/zinc/45/87/46/1177458746.db2.gz HGPKWQIFHTUWRH-OAHLLOKOSA-N 2 1 301.409 3.338 20 0 DGADMP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c2cccnc12 ZINC000387219201 1177458753 /nfs/dbraw/zinc/45/87/53/1177458753.db2.gz HGPKWQIFHTUWRH-OAHLLOKOSA-N 2 1 301.409 3.338 20 0 DGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001670977444 1177560901 /nfs/dbraw/zinc/56/09/01/1177560901.db2.gz RXOXYKSAHRIRND-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001670977444 1177560906 /nfs/dbraw/zinc/56/09/06/1177560906.db2.gz RXOXYKSAHRIRND-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001670977444 1177560908 /nfs/dbraw/zinc/56/09/08/1177560908.db2.gz RXOXYKSAHRIRND-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389425 1178434228 /nfs/dbraw/zinc/43/42/28/1178434228.db2.gz BBEFBNAQMXTYFG-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389425 1178434236 /nfs/dbraw/zinc/43/42/36/1178434236.db2.gz BBEFBNAQMXTYFG-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389425 1178434242 /nfs/dbraw/zinc/43/42/42/1178434242.db2.gz BBEFBNAQMXTYFG-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389424 1178434610 /nfs/dbraw/zinc/43/46/10/1178434610.db2.gz BBEFBNAQMXTYFG-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389424 1178434614 /nfs/dbraw/zinc/43/46/14/1178434614.db2.gz BBEFBNAQMXTYFG-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389424 1178434619 /nfs/dbraw/zinc/43/46/19/1178434619.db2.gz BBEFBNAQMXTYFG-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)nc2)[C@@H](C)C1 ZINC001332923182 1178523061 /nfs/dbraw/zinc/52/30/61/1178523061.db2.gz ZQAKAJMBKHKLSW-UXLLHSPISA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)nc2)[C@@H](C)C1 ZINC001332923182 1178523065 /nfs/dbraw/zinc/52/30/65/1178523065.db2.gz ZQAKAJMBKHKLSW-UXLLHSPISA-N 2 1 323.456 3.008 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001333021083 1178540220 /nfs/dbraw/zinc/54/02/20/1178540220.db2.gz BORAPXXRSWMQSH-HOTGVXAUSA-N 2 1 305.466 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@@H]2C1 ZINC001333840802 1178683177 /nfs/dbraw/zinc/68/31/77/1178683177.db2.gz IGUPFQATTGOERC-VNQPRFMTSA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2C1 ZINC001333842464 1178683295 /nfs/dbraw/zinc/68/32/95/1178683295.db2.gz RRHKARIDXBSYQO-NLWGTHIKSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cnccc43)C[C@H]2C1 ZINC001333840052 1178683527 /nfs/dbraw/zinc/68/35/27/1178683527.db2.gz CGZYJMWOJHBDPH-BHIYHBOVSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC001333893026 1178691333 /nfs/dbraw/zinc/69/13/33/1178691333.db2.gz WOWCRLLEYWVKHE-BPQIPLTHSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccncc4s3)C[C@@H]2C1 ZINC001334356262 1178753515 /nfs/dbraw/zinc/75/35/15/1178753515.db2.gz KNIGBZWUFJRKPV-OWCLPIDISA-N 2 1 315.486 3.458 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@H]2C1 ZINC001335133579 1178858783 /nfs/dbraw/zinc/85/87/83/1178858783.db2.gz JCRPEGQQAHXWIS-YRGRVCCFSA-N 2 1 312.379 3.266 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257513 1178879234 /nfs/dbraw/zinc/87/92/34/1178879234.db2.gz VYJFRNLWYQWGBJ-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257513 1178879247 /nfs/dbraw/zinc/87/92/47/1178879247.db2.gz VYJFRNLWYQWGBJ-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2C1 ZINC001335581149 1178932904 /nfs/dbraw/zinc/93/29/04/1178932904.db2.gz BUZPKMFCHQWORD-CMKODMSKSA-N 2 1 324.472 3.034 20 0 DGADMP Fc1ccc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC001342120191 1179106657 /nfs/dbraw/zinc/10/66/57/1179106657.db2.gz VGKOVBWUDIILQU-KXBFYZLASA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120191 1179106662 /nfs/dbraw/zinc/10/66/62/1179106662.db2.gz VGKOVBWUDIILQU-KXBFYZLASA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120191 1179106668 /nfs/dbraw/zinc/10/66/68/1179106668.db2.gz VGKOVBWUDIILQU-KXBFYZLASA-N 2 1 320.427 3.456 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1Br ZINC001343039288 1179227559 /nfs/dbraw/zinc/22/75/59/1179227559.db2.gz KMDSVZCHVYFTPA-HNNXBMFYSA-N 2 1 324.266 3.075 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@H]2C1 ZINC001343332396 1179257876 /nfs/dbraw/zinc/25/78/76/1179257876.db2.gz CMTRDCPQKQONRH-RBSFLKMASA-N 2 1 305.491 3.183 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC001349320980 1179892999 /nfs/dbraw/zinc/89/29/99/1179892999.db2.gz XQPVAQULRYNZSA-ZFWWWQNUSA-N 2 1 322.522 3.001 20 0 DGADMP Cc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001349923256 1179979143 /nfs/dbraw/zinc/97/91/43/1179979143.db2.gz OTLQZSUYSFHBTJ-SFHVURJKSA-N 2 1 322.456 3.453 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315772 1180199174 /nfs/dbraw/zinc/19/91/74/1180199174.db2.gz RODHASCBYQUBRW-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315772 1180199178 /nfs/dbraw/zinc/19/91/78/1180199178.db2.gz RODHASCBYQUBRW-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cs1 ZINC001352111391 1180297591 /nfs/dbraw/zinc/29/75/91/1180297591.db2.gz FXJCTTPKFQGMCO-SQWLQELKSA-N 2 1 307.507 3.429 20 0 DGADMP C[C@@H](COc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001352760300 1180394448 /nfs/dbraw/zinc/39/44/48/1180394448.db2.gz JDEGGLVPTIILHK-YTTRVJOFSA-N 2 1 318.436 3.340 20 0 DGADMP CC[C@@H]1CCC[C@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001200244307 1180480289 /nfs/dbraw/zinc/48/02/89/1180480289.db2.gz RHMVSCCCTDZPJV-MJGOQNOKSA-N 2 1 309.542 3.066 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200508294 1180691129 /nfs/dbraw/zinc/69/11/29/1180691129.db2.gz YRBRGPZQUYHCJT-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(O)CCCC1 ZINC001200525307 1180699384 /nfs/dbraw/zinc/69/93/84/1180699384.db2.gz GIAIQKWIUFVZNQ-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001200715166 1180847156 /nfs/dbraw/zinc/84/71/56/1180847156.db2.gz QGYXJBHXWRQGKE-RHSMWYFYSA-N 2 1 318.490 3.261 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001200715166 1180847166 /nfs/dbraw/zinc/84/71/66/1180847166.db2.gz QGYXJBHXWRQGKE-RHSMWYFYSA-N 2 1 318.490 3.261 20 0 DGADMP OCC12CCC(CC1)[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001354949971 1180941562 /nfs/dbraw/zinc/94/15/62/1180941562.db2.gz FLJNVGQQYQDQBG-UHFFFAOYSA-N 2 1 314.473 3.162 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)C[C@@H]2C1 ZINC001355373719 1181046484 /nfs/dbraw/zinc/04/64/84/1181046484.db2.gz QLJGATWYSYHWIN-FPMFFAJLSA-N 2 1 312.379 3.266 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001358010216 1181445946 /nfs/dbraw/zinc/44/59/46/1181445946.db2.gz AEWJQSCCNDERPZ-GOSISDBHSA-N 2 1 317.477 3.116 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546159 1181761764 /nfs/dbraw/zinc/76/17/64/1181761764.db2.gz QONJHAUPPINOAD-OAHLLOKOSA-N 2 1 313.445 3.104 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546159 1181761769 /nfs/dbraw/zinc/76/17/69/1181761769.db2.gz QONJHAUPPINOAD-OAHLLOKOSA-N 2 1 313.445 3.104 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546159 1181761773 /nfs/dbraw/zinc/76/17/73/1181761773.db2.gz QONJHAUPPINOAD-OAHLLOKOSA-N 2 1 313.445 3.104 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546159 1181761777 /nfs/dbraw/zinc/76/17/77/1181761777.db2.gz QONJHAUPPINOAD-OAHLLOKOSA-N 2 1 313.445 3.104 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001435945709 1181857283 /nfs/dbraw/zinc/85/72/83/1181857283.db2.gz FFXHISNVXKBGCM-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001459382114 1182583586 /nfs/dbraw/zinc/58/35/86/1182583586.db2.gz AQIKFFVWBLKONT-OALUTQOASA-N 2 1 310.526 3.491 20 0 DGADMP CC(C)=CCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001460087032 1182649586 /nfs/dbraw/zinc/64/95/86/1182649586.db2.gz WZWVPFCBORIOBO-UHFFFAOYSA-N 2 1 315.505 3.092 20 0 DGADMP CCCN(CC[NH+]1CCCCC1)Cc1[nH+]cc(C)c(OC)c1C ZINC001460086610 1182650549 /nfs/dbraw/zinc/65/05/49/1182650549.db2.gz VHPGNPPXXCOTFY-UHFFFAOYSA-N 2 1 319.493 3.405 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2nsnc21 ZINC001460691875 1182709666 /nfs/dbraw/zinc/70/96/66/1182709666.db2.gz NULAZTDNDDVOJK-UHFFFAOYSA-N 2 1 318.490 3.389 20 0 DGADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746630 1182716807 /nfs/dbraw/zinc/71/68/07/1182716807.db2.gz JECFSHVIZFBADM-RNQOJCNYSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746630 1182716815 /nfs/dbraw/zinc/71/68/15/1182716815.db2.gz JECFSHVIZFBADM-RNQOJCNYSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746630 1182716818 /nfs/dbraw/zinc/71/68/18/1182716818.db2.gz JECFSHVIZFBADM-RNQOJCNYSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001461058102 1182762555 /nfs/dbraw/zinc/76/25/55/1182762555.db2.gz VXJPSAJQFDABKD-LPHOPBHVSA-N 2 1 302.462 3.117 20 0 DGADMP C[C@H](C[NH2+]Cc1cn(C)nc1C1CCCCC1)C[NH+]1CCCC1 ZINC001461063086 1182762617 /nfs/dbraw/zinc/76/26/17/1182762617.db2.gz DATJUZHTEMIRIF-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc2ccccc2c1 ZINC001461078298 1182764014 /nfs/dbraw/zinc/76/40/14/1182764014.db2.gz IHFSATSWKOSNQZ-UHFFFAOYSA-N 2 1 321.424 3.469 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)[C@H]2C1 ZINC001461832151 1182865419 /nfs/dbraw/zinc/86/54/19/1182865419.db2.gz SWZAHOYFMCOZLC-WCFLWFBJSA-N 2 1 321.877 3.380 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC001462287637 1182933972 /nfs/dbraw/zinc/93/39/72/1182933972.db2.gz AKNOVXCIIDNWCA-MSOLQXFVSA-N 2 1 318.505 3.205 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Cc3nccs3)C2)CC1 ZINC001462597264 1182973604 /nfs/dbraw/zinc/97/36/04/1182973604.db2.gz PMEQYJDUOCWILH-MRXNPFEDSA-N 2 1 307.507 3.130 20 0 DGADMP Cc1cccc2nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc21 ZINC001472828990 1183687235 /nfs/dbraw/zinc/68/72/35/1183687235.db2.gz AVSQSGCHGAPWEQ-AWEZNQCLSA-N 2 1 320.506 3.289 20 0 DGADMP Cc1cccc2nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc21 ZINC001472828990 1183687236 /nfs/dbraw/zinc/68/72/36/1183687236.db2.gz AVSQSGCHGAPWEQ-AWEZNQCLSA-N 2 1 320.506 3.289 20 0 DGADMP COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001473148627 1183721469 /nfs/dbraw/zinc/72/14/69/1183721469.db2.gz AHXKOLKORQCZPW-ROUUACIJSA-N 2 1 324.509 3.018 20 0 DGADMP C[N@H+](Cc1ccc([Si](C)(C)C)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001473182473 1183725757 /nfs/dbraw/zinc/72/57/57/1183725757.db2.gz FLRCTOJNTNFAOB-KRWDZBQOSA-N 2 1 304.554 3.005 20 0 DGADMP C[NH+](Cc1ccc([Si](C)(C)C)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001473182473 1183725761 /nfs/dbraw/zinc/72/57/61/1183725761.db2.gz FLRCTOJNTNFAOB-KRWDZBQOSA-N 2 1 304.554 3.005 20 0 DGADMP C[NH+](Cc1ccc([Si](C)(C)C)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001473182473 1183725763 /nfs/dbraw/zinc/72/57/63/1183725763.db2.gz FLRCTOJNTNFAOB-KRWDZBQOSA-N 2 1 304.554 3.005 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC001473333392 1183744372 /nfs/dbraw/zinc/74/43/72/1183744372.db2.gz ZQZIPVRWNCDHAZ-PKOBYXMFSA-N 2 1 306.494 3.373 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC001473333392 1183744376 /nfs/dbraw/zinc/74/43/76/1183744376.db2.gz ZQZIPVRWNCDHAZ-PKOBYXMFSA-N 2 1 306.494 3.373 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001473422449 1183755168 /nfs/dbraw/zinc/75/51/68/1183755168.db2.gz SBSOSLOYYDPMPF-QGZVFWFLSA-N 2 1 324.896 3.006 20 0 DGADMP CCC1(CC)CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473642742 1183785802 /nfs/dbraw/zinc/78/58/02/1183785802.db2.gz IALQXXRDZITLKG-LJQANCHMSA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473642742 1183785807 /nfs/dbraw/zinc/78/58/07/1183785807.db2.gz IALQXXRDZITLKG-LJQANCHMSA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001473642742 1183785813 /nfs/dbraw/zinc/78/58/13/1183785813.db2.gz IALQXXRDZITLKG-LJQANCHMSA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001473642742 1183785822 /nfs/dbraw/zinc/78/58/22/1183785822.db2.gz IALQXXRDZITLKG-LJQANCHMSA-N 2 1 318.505 3.382 20 0 DGADMP Cc1cccc(C[C@@]2(C)CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC001473686272 1183789081 /nfs/dbraw/zinc/78/90/81/1183789081.db2.gz ACWSKHBSUXOMMO-WOJBJXKFSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@@]2(C)CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC001473686272 1183789093 /nfs/dbraw/zinc/78/90/93/1183789093.db2.gz ACWSKHBSUXOMMO-WOJBJXKFSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@@]2(C)CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC001473686272 1183789100 /nfs/dbraw/zinc/78/91/00/1183789100.db2.gz ACWSKHBSUXOMMO-WOJBJXKFSA-N 2 1 318.505 3.093 20 0 DGADMP CCCC[N@H+](C[C@H](O)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683378 1183789751 /nfs/dbraw/zinc/78/97/51/1183789751.db2.gz NUYUIMSYLXCBCI-ZDUSSCGKSA-N 2 1 324.431 3.321 20 0 DGADMP CCCC[N@@H+](C[C@H](O)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683378 1183789756 /nfs/dbraw/zinc/78/97/56/1183789756.db2.gz NUYUIMSYLXCBCI-ZDUSSCGKSA-N 2 1 324.431 3.321 20 0 DGADMP COCCCCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473778053 1183800649 /nfs/dbraw/zinc/80/06/49/1183800649.db2.gz OSGLGVOQKBAASV-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473778053 1183800657 /nfs/dbraw/zinc/80/06/57/1183800657.db2.gz OSGLGVOQKBAASV-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473778053 1183800664 /nfs/dbraw/zinc/80/06/64/1183800664.db2.gz OSGLGVOQKBAASV-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC001473805096 1183805137 /nfs/dbraw/zinc/80/51/37/1183805137.db2.gz TUNLQRJUAQDORW-INIZCTEOSA-N 2 1 309.523 3.438 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC001473805096 1183805141 /nfs/dbraw/zinc/80/51/41/1183805141.db2.gz TUNLQRJUAQDORW-INIZCTEOSA-N 2 1 309.523 3.438 20 0 DGADMP CN(C)c1cccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001473901357 1183822757 /nfs/dbraw/zinc/82/27/57/1183822757.db2.gz LHFWNYBIUYWTEP-BGYRXZFFSA-N 2 1 313.489 3.060 20 0 DGADMP CN(C)c1cccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001473901357 1183822759 /nfs/dbraw/zinc/82/27/59/1183822759.db2.gz LHFWNYBIUYWTEP-BGYRXZFFSA-N 2 1 313.489 3.060 20 0 DGADMP CN(C)c1cccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001473901357 1183822761 /nfs/dbraw/zinc/82/27/61/1183822761.db2.gz LHFWNYBIUYWTEP-BGYRXZFFSA-N 2 1 313.489 3.060 20 0 DGADMP c1[nH]nc2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc12 ZINC001474033193 1183855339 /nfs/dbraw/zinc/85/53/39/1183855339.db2.gz BQYBZXAXAVLUQF-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP CC(C)C[N@@H+](C)CCCNCc1cccc(F)c1OC(F)F ZINC001474201120 1183881324 /nfs/dbraw/zinc/88/13/24/1183881324.db2.gz ZPPUUERHTULBDO-UHFFFAOYSA-N 2 1 318.383 3.495 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC001474303155 1183901119 /nfs/dbraw/zinc/90/11/19/1183901119.db2.gz RMJITJUPQGQLKA-CFVMTHIKSA-N 2 1 314.351 3.015 20 0 DGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001474473187 1183927842 /nfs/dbraw/zinc/92/78/42/1183927842.db2.gz KGIKUXSMZCZLHH-ZWKOTPCHSA-N 2 1 307.526 3.127 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C)nc(C)c1 ZINC001474503742 1183931791 /nfs/dbraw/zinc/93/17/91/1183931791.db2.gz PITAZGPNHRWYIA-UHFFFAOYSA-N 2 1 300.450 3.370 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)nc(C)c1 ZINC001474503742 1183931798 /nfs/dbraw/zinc/93/17/98/1183931798.db2.gz PITAZGPNHRWYIA-UHFFFAOYSA-N 2 1 300.450 3.370 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)nc(C)c1 ZINC001474503742 1183931801 /nfs/dbraw/zinc/93/18/01/1183931801.db2.gz PITAZGPNHRWYIA-UHFFFAOYSA-N 2 1 300.450 3.370 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001474509195 1183932891 /nfs/dbraw/zinc/93/28/91/1183932891.db2.gz QWZWTJFAONFPTH-OTWHNJEPSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001474509195 1183932892 /nfs/dbraw/zinc/93/28/92/1183932892.db2.gz QWZWTJFAONFPTH-OTWHNJEPSA-N 2 1 308.510 3.436 20 0 DGADMP CCNc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001474749040 1183972525 /nfs/dbraw/zinc/97/25/25/1183972525.db2.gz WRZPVNGXNDUVHX-RYQLBKOJSA-N 2 1 301.478 3.281 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001479729055 1184303512 /nfs/dbraw/zinc/30/35/12/1184303512.db2.gz GVKMFKBZLNFOFQ-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001479729055 1184303516 /nfs/dbraw/zinc/30/35/16/1184303516.db2.gz GVKMFKBZLNFOFQ-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001479729055 1184303519 /nfs/dbraw/zinc/30/35/19/1184303519.db2.gz GVKMFKBZLNFOFQ-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001615791492 1193527897 /nfs/dbraw/zinc/52/78/97/1193527897.db2.gz GHWBQCKZIBGGQA-FQEVSTJZSA-N 2 1 317.521 3.315 20 0 DGADMP C[N@@H+]1C[C@H](C[NH2+][C@H]2CCCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001549037192 1188488789 /nfs/dbraw/zinc/48/87/89/1188488789.db2.gz VITRHBMJKDZZSA-ZCNNSNEGSA-N 2 1 321.468 3.394 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@H]2CCCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001549037192 1188488792 /nfs/dbraw/zinc/48/87/92/1188488792.db2.gz VITRHBMJKDZZSA-ZCNNSNEGSA-N 2 1 321.468 3.394 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC001549087488 1188492308 /nfs/dbraw/zinc/49/23/08/1188492308.db2.gz MZGVGFBPCYZTSY-PBHICJAKSA-N 2 1 305.491 3.362 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC001549087488 1188492315 /nfs/dbraw/zinc/49/23/15/1188492315.db2.gz MZGVGFBPCYZTSY-PBHICJAKSA-N 2 1 305.491 3.362 20 0 DGADMP COCc1csc(C[N@H+]2CCC[C@@H](c3cncn3C)C2)c1 ZINC001549368213 1188514602 /nfs/dbraw/zinc/51/46/02/1188514602.db2.gz MZUNUZBTGKHHTE-CQSZACIVSA-N 2 1 305.447 3.008 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@H](c3ccccc3)C2(C)C)s1 ZINC001549545289 1188525670 /nfs/dbraw/zinc/52/56/70/1188525670.db2.gz FYBJZMYSROAPGP-DLBZAZTESA-N 2 1 315.486 3.487 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3Cc4ccccc4CO3)CC[NH2+]2)cc1 ZINC001549711877 1188535232 /nfs/dbraw/zinc/53/52/32/1188535232.db2.gz VQTCWTAABFWTNA-NJYVYQBISA-N 2 1 322.452 3.211 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001550350135 1188608973 /nfs/dbraw/zinc/60/89/73/1188608973.db2.gz INPZQVJBIQCINB-UKRRQHHQSA-N 2 1 313.470 3.024 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001550350135 1188608976 /nfs/dbraw/zinc/60/89/76/1188608976.db2.gz INPZQVJBIQCINB-UKRRQHHQSA-N 2 1 313.470 3.024 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550351921 1188609091 /nfs/dbraw/zinc/60/90/91/1188609091.db2.gz FJFQNMNOCKGBOI-GJGATLCTSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3ccc(C)o3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550350808 1188609313 /nfs/dbraw/zinc/60/93/13/1188609313.db2.gz AFVPJVMAQCKXKN-CTRAYCPCSA-N 2 1 320.477 3.108 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550353667 1188609860 /nfs/dbraw/zinc/60/98/60/1188609860.db2.gz QBGJGYCCZYSZEY-GVDBMIGSSA-N 2 1 302.462 3.392 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)cs1 ZINC001550353317 1188610225 /nfs/dbraw/zinc/61/02/25/1188610225.db2.gz ROUCMLGCRMPJSU-ITWBUVANSA-N 2 1 322.518 3.187 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]CC1CCCCCC1)C2 ZINC001550421901 1188614340 /nfs/dbraw/zinc/61/43/40/1188614340.db2.gz ICMQVHPMWUQLTI-VJANTYMQSA-N 2 1 308.510 3.026 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3ccc(C)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422635 1188614748 /nfs/dbraw/zinc/61/47/48/1188614748.db2.gz BBQFHISCIDNASY-XDNAFOTISA-N 2 1 322.518 3.016 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]CC3CCCCC3)C2)[C@H]1C(C)C ZINC001550423061 1188614875 /nfs/dbraw/zinc/61/48/75/1188614875.db2.gz HIFCZNMPPGVNQP-OKYOBFRVSA-N 2 1 308.510 3.026 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)C[C@H]2C1 ZINC001550540533 1188621598 /nfs/dbraw/zinc/62/15/98/1188621598.db2.gz GETSAMOXLZBNNV-HUUCEWRRSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]2C1 ZINC001550540533 1188621601 /nfs/dbraw/zinc/62/16/01/1188621601.db2.gz GETSAMOXLZBNNV-HUUCEWRRSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]2C1 ZINC001550540533 1188621606 /nfs/dbraw/zinc/62/16/06/1188621606.db2.gz GETSAMOXLZBNNV-HUUCEWRRSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)C[C@H]2C1 ZINC001550540424 1188621966 /nfs/dbraw/zinc/62/19/66/1188621966.db2.gz DBRFYXNIKWYDJJ-FUHWJXTLSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)C[C@H]2C1 ZINC001550540424 1188621967 /nfs/dbraw/zinc/62/19/67/1188621967.db2.gz DBRFYXNIKWYDJJ-FUHWJXTLSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@H]2C1 ZINC001550540424 1188621968 /nfs/dbraw/zinc/62/19/68/1188621968.db2.gz DBRFYXNIKWYDJJ-FUHWJXTLSA-N 2 1 323.440 3.257 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540634 1188622097 /nfs/dbraw/zinc/62/20/97/1188622097.db2.gz IAENSGLWTJNSGE-PVAVHDDUSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540634 1188622099 /nfs/dbraw/zinc/62/20/99/1188622099.db2.gz IAENSGLWTJNSGE-PVAVHDDUSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540634 1188622102 /nfs/dbraw/zinc/62/21/02/1188622102.db2.gz IAENSGLWTJNSGE-PVAVHDDUSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540634 1188622104 /nfs/dbraw/zinc/62/21/04/1188622104.db2.gz IAENSGLWTJNSGE-PVAVHDDUSA-N 2 1 311.429 3.286 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)C[C@H]2C1 ZINC001550543201 1188622341 /nfs/dbraw/zinc/62/23/41/1188622341.db2.gz JHUIUTFPQWIVIL-PIOWNMBXSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)C[C@H]2C1 ZINC001550543201 1188622343 /nfs/dbraw/zinc/62/23/43/1188622343.db2.gz JHUIUTFPQWIVIL-PIOWNMBXSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)C[C@H]2C1 ZINC001550543201 1188622347 /nfs/dbraw/zinc/62/23/47/1188622347.db2.gz JHUIUTFPQWIVIL-PIOWNMBXSA-N 2 1 304.400 3.239 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)C[C@H]2C1 ZINC001550543202 1188622687 /nfs/dbraw/zinc/62/26/87/1188622687.db2.gz JHUIUTFPQWIVIL-RAFNIBEQSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)C[C@H]2C1 ZINC001550543202 1188622689 /nfs/dbraw/zinc/62/26/89/1188622689.db2.gz JHUIUTFPQWIVIL-RAFNIBEQSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)C[C@H]2C1 ZINC001550543202 1188622690 /nfs/dbraw/zinc/62/26/90/1188622690.db2.gz JHUIUTFPQWIVIL-RAFNIBEQSA-N 2 1 304.400 3.239 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@H+](C)CC[C@@H]4C3)co2)cc1 ZINC001550541366 1188622773 /nfs/dbraw/zinc/62/27/73/1188622773.db2.gz VPHZSHNPKMNXRL-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@@H+](C)CC[C@@H]4C3)co2)cc1 ZINC001550541366 1188622776 /nfs/dbraw/zinc/62/27/76/1188622776.db2.gz VPHZSHNPKMNXRL-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)co2)cc1 ZINC001550541366 1188622778 /nfs/dbraw/zinc/62/27/78/1188622778.db2.gz VPHZSHNPKMNXRL-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)co2)cc1 ZINC001550541366 1188622781 /nfs/dbraw/zinc/62/27/81/1188622781.db2.gz VPHZSHNPKMNXRL-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP CC[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC001550702618 1188643502 /nfs/dbraw/zinc/64/35/02/1188643502.db2.gz NYDJVOCWPWECKO-CABCVRRESA-N 2 1 316.367 3.206 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@]34CCC[C@@H]3OCC4)CC[NH2+]2)cc1 ZINC001550943791 1188673162 /nfs/dbraw/zinc/67/31/62/1188673162.db2.gz QDAKHLPPVMXPJW-YDZRNGNQSA-N 2 1 300.446 3.029 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(F)cc1C ZINC001551261661 1188723245 /nfs/dbraw/zinc/72/32/45/1188723245.db2.gz OUNSYURSPGFOPA-UXLLHSPISA-N 2 1 320.452 3.305 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC23CCCCC3)C1 ZINC001551385195 1188734104 /nfs/dbraw/zinc/73/41/04/1188734104.db2.gz MIGBQIFGESCNMM-OAGGEKHMSA-N 2 1 303.450 3.138 20 0 DGADMP C[N@@H+](C[C@@H]1CCCC12CCOCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001617868569 1193583647 /nfs/dbraw/zinc/58/36/47/1193583647.db2.gz RPXFCOBNTVSOPH-XNHLSEOASA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+](C[C@@H]1CCCC12CCOCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001617868569 1193583649 /nfs/dbraw/zinc/58/36/49/1193583649.db2.gz RPXFCOBNTVSOPH-XNHLSEOASA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+](C[C@@H]1CCCC12CCOCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001617868569 1193583650 /nfs/dbraw/zinc/58/36/50/1193583650.db2.gz RPXFCOBNTVSOPH-XNHLSEOASA-N 2 1 306.494 3.140 20 0 DGADMP c1cc(C[N@H+]2C[C@@H]3CCOC[C@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC001552169345 1188822101 /nfs/dbraw/zinc/82/21/01/1188822101.db2.gz PJXHRXSLLWEERB-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552928687 1188883242 /nfs/dbraw/zinc/88/32/42/1188883242.db2.gz DHWIFKUVTQSIPP-KZNAEPCWSA-N 2 1 306.494 3.190 20 0 DGADMP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001553025809 1188891423 /nfs/dbraw/zinc/89/14/23/1188891423.db2.gz PBDZUBQFWRVGDB-GUDVDZBRSA-N 3 1 319.537 3.199 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC001553864687 1188952610 /nfs/dbraw/zinc/95/26/10/1188952610.db2.gz QRNWYNHLSYIPNX-GFCCVEGCSA-N 2 1 314.364 3.080 20 0 DGADMP Cn1cncc1[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC001553864687 1188952612 /nfs/dbraw/zinc/95/26/12/1188952612.db2.gz QRNWYNHLSYIPNX-GFCCVEGCSA-N 2 1 314.364 3.080 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C1CCCCC1 ZINC001559011036 1189162578 /nfs/dbraw/zinc/16/25/78/1189162578.db2.gz WLQIDEFFJWNTLY-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C([C@@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1)[NH+]1CCCC1 ZINC001559552653 1189215171 /nfs/dbraw/zinc/21/51/71/1189215171.db2.gz IYEBRVHMYICDNZ-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567998 1189217555 /nfs/dbraw/zinc/21/75/55/1189217555.db2.gz OMNIAZRFGGTZSQ-SOUVJXGZSA-N 2 1 322.415 3.293 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567998 1189217559 /nfs/dbraw/zinc/21/75/59/1189217559.db2.gz OMNIAZRFGGTZSQ-SOUVJXGZSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567998 1189217563 /nfs/dbraw/zinc/21/75/63/1189217563.db2.gz OMNIAZRFGGTZSQ-SOUVJXGZSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567998 1189217567 /nfs/dbraw/zinc/21/75/67/1189217567.db2.gz OMNIAZRFGGTZSQ-SOUVJXGZSA-N 2 1 322.415 3.293 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CC3(CO1)CCCCC3)CC2 ZINC001559678550 1189230803 /nfs/dbraw/zinc/23/08/03/1189230803.db2.gz XQUWFMHZCWVLJQ-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CC3(CO1)CCCCC3)CC2 ZINC001559678550 1189230807 /nfs/dbraw/zinc/23/08/07/1189230807.db2.gz XQUWFMHZCWVLJQ-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC001559946263 1189260454 /nfs/dbraw/zinc/26/04/54/1189260454.db2.gz OZBLOHUQJUFJTI-PKOBYXMFSA-N 2 1 304.478 3.061 20 0 DGADMP CCc1ccccc1CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001560056139 1189273883 /nfs/dbraw/zinc/27/38/83/1189273883.db2.gz ZKGPGBGQHYIARS-UHFFFAOYSA-N 2 1 318.505 3.082 20 0 DGADMP CCC[N@@H+](C[C@@H](C)OC)C1CCN(Cc2ccccc2)CC1 ZINC001560218934 1189292635 /nfs/dbraw/zinc/29/26/35/1189292635.db2.gz CODJSBIROXMLTC-QGZVFWFLSA-N 2 1 304.478 3.398 20 0 DGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccc1F ZINC001560271020 1189303212 /nfs/dbraw/zinc/30/32/12/1189303212.db2.gz RSSYDJYIKMZWAF-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP CC[C@@H]1CCC[C@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001560318549 1189310700 /nfs/dbraw/zinc/31/07/00/1189310700.db2.gz RBYVAQNYRSBFRF-MSOLQXFVSA-N 2 1 308.510 3.437 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC001560326809 1189311798 /nfs/dbraw/zinc/31/17/98/1189311798.db2.gz LRWNWKGIIXFKHQ-ZDUSSCGKSA-N 2 1 300.418 3.433 20 0 DGADMP CCc1ccccc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001560358090 1189316878 /nfs/dbraw/zinc/31/68/78/1189316878.db2.gz GBORZELCHMXBEQ-UHFFFAOYSA-N 2 1 324.472 3.414 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001560652351 1189355684 /nfs/dbraw/zinc/35/56/84/1189355684.db2.gz WVSAHVQTNQJYSW-INIZCTEOSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001560661881 1189356586 /nfs/dbraw/zinc/35/65/86/1189356586.db2.gz KIVDFLZDYBCBSL-WBVHZDCISA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001560661881 1189356591 /nfs/dbraw/zinc/35/65/91/1189356591.db2.gz KIVDFLZDYBCBSL-WBVHZDCISA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)OC)c(C)c1 ZINC001560811865 1189385281 /nfs/dbraw/zinc/38/52/81/1189385281.db2.gz ZYQBLHIKYLENTR-UHFFFAOYSA-N 2 1 318.461 3.089 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)OC)c(C)c1 ZINC001560811865 1189385289 /nfs/dbraw/zinc/38/52/89/1189385289.db2.gz ZYQBLHIKYLENTR-UHFFFAOYSA-N 2 1 318.461 3.089 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948527 1189409651 /nfs/dbraw/zinc/40/96/51/1189409651.db2.gz ZHNVSXCSAFKBTG-DOTOQJQBSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948527 1189409652 /nfs/dbraw/zinc/40/96/52/1189409652.db2.gz ZHNVSXCSAFKBTG-DOTOQJQBSA-N 2 1 318.461 3.010 20 0 DGADMP CCCn1cncc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001560979541 1189414500 /nfs/dbraw/zinc/41/45/00/1189414500.db2.gz LBNXIWZGTWYKAQ-UHFFFAOYSA-N 2 1 306.498 3.093 20 0 DGADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2F)CCN1c1cc[nH+]cc1 ZINC001560986576 1189415292 /nfs/dbraw/zinc/41/52/92/1189415292.db2.gz HNJGPHHSDIDSGN-AWEZNQCLSA-N 2 1 317.383 3.113 20 0 DGADMP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001571459666 1191023806 /nfs/dbraw/zinc/02/38/06/1191023806.db2.gz IRXICQIHFKCEPI-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001574775011 1191451240 /nfs/dbraw/zinc/45/12/40/1191451240.db2.gz UENNZGWGKQVUSW-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC001575247533 1191469911 /nfs/dbraw/zinc/46/99/11/1191469911.db2.gz OUKOFUOHXQDRLK-OAHLLOKOSA-N 2 1 306.450 3.105 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1c2ccccc2CC[C@H]1C[NH3+] ZINC001575699619 1191503953 /nfs/dbraw/zinc/50/39/53/1191503953.db2.gz HWWHVVYAJNHYNJ-ROUUACIJSA-N 2 1 301.478 3.029 20 0 DGADMP CC(C)Oc1ccnc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC001575814446 1191509781 /nfs/dbraw/zinc/50/97/81/1191509781.db2.gz VOLVKSCRIPDNJQ-CRAIPNDOSA-N 2 1 305.466 3.208 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC001575921214 1191517344 /nfs/dbraw/zinc/51/73/44/1191517344.db2.gz FIDWTQOEURCHFB-SFDCBXKLSA-N 2 1 323.868 3.033 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC001576301369 1191557713 /nfs/dbraw/zinc/55/77/13/1191557713.db2.gz MBOAKHDKNVBDBP-OAHLLOKOSA-N 2 1 321.896 3.161 20 0 DGADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001620712087 1193793612 /nfs/dbraw/zinc/79/36/12/1193793612.db2.gz ZWCIGZPBHLIRKO-YZGWKJHDSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)C[C@H](CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001620712087 1193793615 /nfs/dbraw/zinc/79/36/15/1193793615.db2.gz ZWCIGZPBHLIRKO-YZGWKJHDSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001620712086 1193793917 /nfs/dbraw/zinc/79/39/17/1193793917.db2.gz ZWCIGZPBHLIRKO-MISYRCLQSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001620712086 1193793924 /nfs/dbraw/zinc/79/39/24/1193793924.db2.gz ZWCIGZPBHLIRKO-MISYRCLQSA-N 2 1 317.521 3.388 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001621108791 1193804165 /nfs/dbraw/zinc/80/41/65/1193804165.db2.gz YSFYGSIGGJZNOO-BPLDGKMQSA-N 2 1 310.388 3.026 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001621108791 1193804166 /nfs/dbraw/zinc/80/41/66/1193804166.db2.gz YSFYGSIGGJZNOO-BPLDGKMQSA-N 2 1 310.388 3.026 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC(C)C)nc2)[C@@H](C)C1 ZINC001621122971 1193806196 /nfs/dbraw/zinc/80/61/96/1193806196.db2.gz NJXSDTRNOWAURP-QFBILLFUSA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@@H](C)C1 ZINC001621122971 1193806198 /nfs/dbraw/zinc/80/61/98/1193806198.db2.gz NJXSDTRNOWAURP-QFBILLFUSA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@@H](C)C1 ZINC001621122971 1193806202 /nfs/dbraw/zinc/80/62/02/1193806202.db2.gz NJXSDTRNOWAURP-QFBILLFUSA-N 2 1 303.494 3.442 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C)c2F)C1 ZINC001621152332 1193809466 /nfs/dbraw/zinc/80/94/66/1193809466.db2.gz HXTVEIPCMQBDPL-KRWDZBQOSA-N 2 1 308.441 3.067 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001621245166 1193821458 /nfs/dbraw/zinc/82/14/58/1193821458.db2.gz IATMVDNPBDVUHY-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccnc2N)CC1 ZINC001621308653 1193829735 /nfs/dbraw/zinc/82/97/35/1193829735.db2.gz RYCUKWSMVSIYRH-UHFFFAOYSA-N 2 1 324.472 3.186 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001621368760 1193834373 /nfs/dbraw/zinc/83/43/73/1193834373.db2.gz SEFDXZFVPRXIDU-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001621368760 1193834375 /nfs/dbraw/zinc/83/43/75/1193834375.db2.gz SEFDXZFVPRXIDU-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001621368760 1193834379 /nfs/dbraw/zinc/83/43/79/1193834379.db2.gz SEFDXZFVPRXIDU-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001621368760 1193834380 /nfs/dbraw/zinc/83/43/80/1193834380.db2.gz SEFDXZFVPRXIDU-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC001621445918 1193843711 /nfs/dbraw/zinc/84/37/11/1193843711.db2.gz CPAGAOGGFUFHSS-WBVHZDCISA-N 2 1 317.477 3.018 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC001621445918 1193843713 /nfs/dbraw/zinc/84/37/13/1193843713.db2.gz CPAGAOGGFUFHSS-WBVHZDCISA-N 2 1 317.477 3.018 20 0 DGADMP COCC[N@H+](Cc1cccc(Cl)c1C)CC1CC[NH+](C)CC1 ZINC001621473946 1193847230 /nfs/dbraw/zinc/84/72/30/1193847230.db2.gz FRYYZAXMGSLFER-UHFFFAOYSA-N 2 1 324.896 3.439 20 0 DGADMP C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493053 1193849757 /nfs/dbraw/zinc/84/97/57/1193849757.db2.gz HALVJUNKVGHMPF-LJCCNALRSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@H]1C[C@H]1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493053 1193849759 /nfs/dbraw/zinc/84/97/59/1193849759.db2.gz HALVJUNKVGHMPF-LJCCNALRSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@H]1C[C@H]1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493053 1193849762 /nfs/dbraw/zinc/84/97/62/1193849762.db2.gz HALVJUNKVGHMPF-LJCCNALRSA-N 2 1 316.489 3.384 20 0 DGADMP CCO[C@H](C[NH2+]CCc1ccc(C(C)(C)C)cc1)C[NH+](C)C ZINC001621518534 1193852625 /nfs/dbraw/zinc/85/26/25/1193852625.db2.gz LRRDQGKUYHMXIB-GOSISDBHSA-N 2 1 306.494 3.083 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC)C1CCCCC1 ZINC001628574887 1194185637 /nfs/dbraw/zinc/18/56/37/1194185637.db2.gz WJKHJKCFGMAJEJ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC001628574887 1194185638 /nfs/dbraw/zinc/18/56/38/1194185638.db2.gz WJKHJKCFGMAJEJ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC001628574887 1194185641 /nfs/dbraw/zinc/18/56/41/1194185641.db2.gz WJKHJKCFGMAJEJ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCCCC[NH+]3CCCC3)c12 ZINC001642723554 1194932353 /nfs/dbraw/zinc/93/23/53/1194932353.db2.gz PGOPKMCAXLHENA-UHFFFAOYSA-N 2 1 301.438 3.150 20 0 DGADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1C ZINC001643599308 1195037768 /nfs/dbraw/zinc/03/77/68/1195037768.db2.gz KTHFDWVHLROFHW-HXUWFJFHSA-N 2 1 318.505 3.117 20 0 DGADMP C[C@H]1C[C@H](CC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C[C@@H](C)C1 ZINC001643980463 1195070382 /nfs/dbraw/zinc/07/03/82/1195070382.db2.gz JAJJBXQXFJHDOR-MANSERQUSA-N 2 1 310.526 3.491 20 0 DGADMP CCC[N@@H+](CCO)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001644324728 1195100905 /nfs/dbraw/zinc/10/09/05/1195100905.db2.gz JPBCZCWLXAQXJO-UHFFFAOYSA-N 2 1 318.505 3.036 20 0 DGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001644780598 1195133638 /nfs/dbraw/zinc/13/36/38/1195133638.db2.gz CJFJKFAWHSAZTB-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001644780598 1195133643 /nfs/dbraw/zinc/13/36/43/1195133643.db2.gz CJFJKFAWHSAZTB-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)/C=C\C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001644781274 1195134635 /nfs/dbraw/zinc/13/46/35/1195134635.db2.gz UVSMTEVAWMGXRQ-BQLWYNFJSA-N 2 1 322.493 3.082 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001644965048 1195146673 /nfs/dbraw/zinc/14/66/73/1195146673.db2.gz JMIXLIFIMRVWBL-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001644965048 1195146676 /nfs/dbraw/zinc/14/66/76/1195146676.db2.gz JMIXLIFIMRVWBL-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001644965048 1195146680 /nfs/dbraw/zinc/14/66/80/1195146680.db2.gz JMIXLIFIMRVWBL-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Sc1ccccc1 ZINC001647036460 1195242586 /nfs/dbraw/zinc/24/25/86/1195242586.db2.gz YPCARGBFBLHERC-AWEZNQCLSA-N 2 1 301.459 3.418 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001648026536 1195271553 /nfs/dbraw/zinc/27/15/53/1195271553.db2.gz DRFNFOKTRXSLKM-OALUTQOASA-N 2 1 307.526 3.057 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCc2cncs2)CC1 ZINC001648026783 1195271678 /nfs/dbraw/zinc/27/16/78/1195271678.db2.gz HXPMHBCQRWGOAE-INIZCTEOSA-N 2 1 307.507 3.272 20 0 DGADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C)C1CCCCC1 ZINC001648366018 1195295091 /nfs/dbraw/zinc/29/50/91/1195295091.db2.gz BWGOFWIDJQRRIS-APWZRJJASA-N 2 1 317.477 3.187 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC001650832318 1195387051 /nfs/dbraw/zinc/38/70/51/1195387051.db2.gz ABLWPWCDVYNNHM-NRFANRHFSA-N 2 1 324.468 3.242 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([Si](C)(C)C)cc2)CC1(C)C ZINC001651339573 1195446190 /nfs/dbraw/zinc/44/61/90/1195446190.db2.gz CFQCYLWORGDZOF-KRWDZBQOSA-N 2 1 318.581 3.237 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC001651697664 1195497725 /nfs/dbraw/zinc/49/77/25/1195497725.db2.gz FTDMJMMVRQDHJF-QRTARXTBSA-N 2 1 315.848 3.318 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC001651697664 1195497728 /nfs/dbraw/zinc/49/77/28/1195497728.db2.gz FTDMJMMVRQDHJF-QRTARXTBSA-N 2 1 315.848 3.318 20 0 DGADMP CCOC(OCC)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001651714455 1195501315 /nfs/dbraw/zinc/50/13/15/1195501315.db2.gz HRHIVPXODRIGSS-HNNXBMFYSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838228 1195515189 /nfs/dbraw/zinc/51/51/89/1195515189.db2.gz GGEIAXOIPFXWQP-LNLFQRSKSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838228 1195515194 /nfs/dbraw/zinc/51/51/94/1195515194.db2.gz GGEIAXOIPFXWQP-LNLFQRSKSA-N 2 1 307.526 3.056 20 0 DGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001651862374 1195518383 /nfs/dbraw/zinc/51/83/83/1195518383.db2.gz GFSRHLUQGIIUDC-KRWDZBQOSA-N 2 1 322.468 3.321 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)CC1 ZINC001651875133 1195518954 /nfs/dbraw/zinc/51/89/54/1195518954.db2.gz OSEAKTLMCSXZBQ-LPHOPBHVSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000067121820 1195594389 /nfs/dbraw/zinc/59/43/89/1195594389.db2.gz CSUAIPITWNQVOD-LBPRGKRZSA-N 2 1 318.795 3.373 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCc3cc(OC)c(Cl)cc3C2)CC1 ZINC001652555923 1195618108 /nfs/dbraw/zinc/61/81/08/1195618108.db2.gz LLADQVJXXKHGFW-UHFFFAOYSA-N 2 1 322.880 3.439 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001653049114 1195683858 /nfs/dbraw/zinc/68/38/58/1195683858.db2.gz NDZQFJVWEXLMHW-ZWKOTPCHSA-N 2 1 306.494 3.455 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001653049114 1195683861 /nfs/dbraw/zinc/68/38/61/1195683861.db2.gz NDZQFJVWEXLMHW-ZWKOTPCHSA-N 2 1 306.494 3.455 20 0 DGADMP CCO[C@@H](C[NH2+]C1CCC(c2ccccc2)CC1)C[NH+](C)C ZINC001653085295 1195687051 /nfs/dbraw/zinc/68/70/51/1195687051.db2.gz RDNMSHIQKBMOLK-ACBHZAAOSA-N 2 1 304.478 3.269 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001653230469 1195701898 /nfs/dbraw/zinc/70/18/98/1195701898.db2.gz ISTRZSBSNKAHQZ-HKUYNNGSSA-N 2 1 321.553 3.351 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC001653314427 1195710145 /nfs/dbraw/zinc/71/01/45/1195710145.db2.gz QJXLOHYBJCXCCN-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP CC[C@]1(CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001653340199 1195712139 /nfs/dbraw/zinc/71/21/39/1195712139.db2.gz VRELCFPTPGSUFM-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC001653367821 1195715159 /nfs/dbraw/zinc/71/51/59/1195715159.db2.gz UUBGWMWLJFHLDY-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC001653446301 1195720894 /nfs/dbraw/zinc/72/08/94/1195720894.db2.gz YBQJQSLOTVLEJM-VQTJNVASSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC001653446301 1195720901 /nfs/dbraw/zinc/72/09/01/1195720901.db2.gz YBQJQSLOTVLEJM-VQTJNVASSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC001653446301 1195720905 /nfs/dbraw/zinc/72/09/05/1195720905.db2.gz YBQJQSLOTVLEJM-VQTJNVASSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001653729977 1195746723 /nfs/dbraw/zinc/74/67/23/1195746723.db2.gz DOIHHPPDHOEKPV-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001653729977 1195746725 /nfs/dbraw/zinc/74/67/25/1195746725.db2.gz DOIHHPPDHOEKPV-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001653729977 1195746727 /nfs/dbraw/zinc/74/67/27/1195746727.db2.gz DOIHHPPDHOEKPV-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC001654005255 1195766304 /nfs/dbraw/zinc/76/63/04/1195766304.db2.gz YWEBVZSOHSZPFO-FQEVSTJZSA-N 2 1 317.521 3.443 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000069058484 1195769731 /nfs/dbraw/zinc/76/97/31/1195769731.db2.gz KXYBFFHEVQDMRA-MRXNPFEDSA-N 2 1 318.461 3.058 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CCCC1 ZINC001655209001 1195890932 /nfs/dbraw/zinc/89/09/32/1195890932.db2.gz CKZGZSRADINONV-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1CO ZINC001655214007 1195892574 /nfs/dbraw/zinc/89/25/74/1195892574.db2.gz BJIJNOOSTZMRSU-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC001655282804 1195899213 /nfs/dbraw/zinc/89/92/13/1195899213.db2.gz PAYPDZKMMXOAFE-IXDOHACOSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC001655282804 1195899222 /nfs/dbraw/zinc/89/92/22/1195899222.db2.gz PAYPDZKMMXOAFE-IXDOHACOSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1N)C[NH+]1CCCC1 ZINC001655323274 1195903986 /nfs/dbraw/zinc/90/39/86/1195903986.db2.gz RLRJESWELZDNIN-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC001655523349 1195926955 /nfs/dbraw/zinc/92/69/55/1195926955.db2.gz MGSFOWIFADQCMO-UHFFFAOYSA-N 2 1 301.409 3.354 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC001655563786 1195933180 /nfs/dbraw/zinc/93/31/80/1195933180.db2.gz YCSLHOHRJRMACX-IAGOWNOFSA-N 2 1 317.477 3.114 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC001655959731 1195982522 /nfs/dbraw/zinc/98/25/22/1195982522.db2.gz NAJUBIAHJMRRCR-UHFFFAOYSA-N 2 1 324.472 3.423 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nccn2C)cc1 ZINC001656047008 1195992500 /nfs/dbraw/zinc/99/25/00/1195992500.db2.gz TVKZDXVETJBMEL-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nccn2C)cc1 ZINC001656047008 1195992504 /nfs/dbraw/zinc/99/25/04/1195992504.db2.gz TVKZDXVETJBMEL-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP CCn1cnc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001656064798 1195994184 /nfs/dbraw/zinc/99/41/84/1195994184.db2.gz UQHOOJANIKPFIN-CQSZACIVSA-N 2 1 312.889 3.158 20 0 DGADMP CC(C)c1ccc(OCC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001656146276 1196009885 /nfs/dbraw/zinc/00/98/85/1196009885.db2.gz PTTCUCOTVYDKPB-UHFFFAOYSA-N 2 1 313.445 3.440 20 0 DGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CCCCC2)c1 ZINC001656301969 1196028734 /nfs/dbraw/zinc/02/87/34/1196028734.db2.gz NELTWZNAZBBBTB-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2N(C)C)c1 ZINC001656390590 1196034745 /nfs/dbraw/zinc/03/47/45/1196034745.db2.gz YJRDFQLCLLZBCL-UHFFFAOYSA-N 2 1 311.473 3.494 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001656395141 1196035454 /nfs/dbraw/zinc/03/54/54/1196035454.db2.gz HYZMXAVJDZRZBQ-CQSZACIVSA-N 2 1 320.868 3.198 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001656395141 1196035456 /nfs/dbraw/zinc/03/54/56/1196035456.db2.gz HYZMXAVJDZRZBQ-CQSZACIVSA-N 2 1 320.868 3.198 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656574168 1196051472 /nfs/dbraw/zinc/05/14/72/1196051472.db2.gz PXHUUWVDGKLASU-WCIQWLHISA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656574168 1196051475 /nfs/dbraw/zinc/05/14/75/1196051475.db2.gz PXHUUWVDGKLASU-WCIQWLHISA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001656574168 1196051478 /nfs/dbraw/zinc/05/14/78/1196051478.db2.gz PXHUUWVDGKLASU-WCIQWLHISA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001656574168 1196051480 /nfs/dbraw/zinc/05/14/80/1196051480.db2.gz PXHUUWVDGKLASU-WCIQWLHISA-N 2 1 320.521 3.390 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001656632605 1196056351 /nfs/dbraw/zinc/05/63/51/1196056351.db2.gz GKIKUIJTAQKLND-GUYCJALGSA-N 2 1 302.466 3.231 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@H]3CCCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC001656633975 1196056757 /nfs/dbraw/zinc/05/67/57/1196056757.db2.gz XOWXZPPSJHODGK-RHSMWYFYSA-N 2 1 316.493 3.478 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(OC(F)F)cc1C ZINC001656742976 1196067591 /nfs/dbraw/zinc/06/75/91/1196067591.db2.gz CRVFVHUCKGMJAX-AWEZNQCLSA-N 2 1 324.415 3.479 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(OC(F)F)cc1C ZINC001656742976 1196067587 /nfs/dbraw/zinc/06/75/87/1196067587.db2.gz CRVFVHUCKGMJAX-AWEZNQCLSA-N 2 1 324.415 3.479 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC001656999219 1196091614 /nfs/dbraw/zinc/09/16/14/1196091614.db2.gz VUUIACCTNOLKKT-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082324 1196102574 /nfs/dbraw/zinc/10/25/74/1196102574.db2.gz RKIYQFXUUJPIRM-FUHWJXTLSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082324 1196102575 /nfs/dbraw/zinc/10/25/75/1196102575.db2.gz RKIYQFXUUJPIRM-FUHWJXTLSA-N 2 1 316.489 3.180 20 0 DGADMP CN(C)c1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001657110013 1196107215 /nfs/dbraw/zinc/10/72/15/1196107215.db2.gz WIDOHOAZDOSCBO-UHFFFAOYSA-N 2 1 315.505 3.497 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3c(C)cccn23)c1 ZINC001657144490 1196110743 /nfs/dbraw/zinc/11/07/43/1196110743.db2.gz LQGHRHPRUKKGNY-UHFFFAOYSA-N 2 1 322.456 3.384 20 0 DGADMP COC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC001657192075 1196116819 /nfs/dbraw/zinc/11/68/19/1196116819.db2.gz BCISULJDMJWEFA-RBUKOAKNSA-N 2 1 310.526 3.493 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC001657229613 1196121183 /nfs/dbraw/zinc/12/11/83/1196121183.db2.gz PDEQGOPBVBCAGW-XLIONFOSSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC001657229613 1196121184 /nfs/dbraw/zinc/12/11/84/1196121184.db2.gz PDEQGOPBVBCAGW-XLIONFOSSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC001657229613 1196121187 /nfs/dbraw/zinc/12/11/87/1196121187.db2.gz PDEQGOPBVBCAGW-XLIONFOSSA-N 2 1 314.473 3.452 20 0 DGADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415598 1196139075 /nfs/dbraw/zinc/13/90/75/1196139075.db2.gz IDISTBBAVIGMRZ-RTBURBONSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415598 1196139078 /nfs/dbraw/zinc/13/90/78/1196139078.db2.gz IDISTBBAVIGMRZ-RTBURBONSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415598 1196139081 /nfs/dbraw/zinc/13/90/81/1196139081.db2.gz IDISTBBAVIGMRZ-RTBURBONSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415598 1196139085 /nfs/dbraw/zinc/13/90/85/1196139085.db2.gz IDISTBBAVIGMRZ-RTBURBONSA-N 2 1 324.484 3.027 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C2 ZINC001657680357 1196169263 /nfs/dbraw/zinc/16/92/63/1196169263.db2.gz CTSLPQSIDIZUIA-SJLPKXTDSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@H](C)C1 ZINC001657768416 1196177029 /nfs/dbraw/zinc/17/70/29/1196177029.db2.gz KPFHMZTULJYGRF-QINHECLXSA-N 2 1 316.489 3.168 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C)c(C)c1 ZINC001658005989 1196201267 /nfs/dbraw/zinc/20/12/67/1196201267.db2.gz GUBFLKDXYAYOFC-HXUWFJFHSA-N 2 1 317.521 3.151 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027769 1196204112 /nfs/dbraw/zinc/20/41/12/1196204112.db2.gz LTCLXDASGAHASS-YJBOKZPZSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027769 1196204116 /nfs/dbraw/zinc/20/41/16/1196204116.db2.gz LTCLXDASGAHASS-YJBOKZPZSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027769 1196204120 /nfs/dbraw/zinc/20/41/20/1196204120.db2.gz LTCLXDASGAHASS-YJBOKZPZSA-N 2 1 308.416 3.314 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC001658185876 1196222391 /nfs/dbraw/zinc/22/23/91/1196222391.db2.gz IQHZBGZBBKTQKE-QGZVFWFLSA-N 2 1 314.477 3.391 20 0 DGADMP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001658189638 1196223495 /nfs/dbraw/zinc/22/34/95/1196223495.db2.gz JGLAXRPWUIOGMJ-SJORKVTESA-N 2 1 308.510 3.314 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001658438285 1196256523 /nfs/dbraw/zinc/25/65/23/1196256523.db2.gz PLJSNORNMMKIQR-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001658438285 1196256527 /nfs/dbraw/zinc/25/65/27/1196256527.db2.gz PLJSNORNMMKIQR-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC001658494758 1196264605 /nfs/dbraw/zinc/26/46/05/1196264605.db2.gz VGUSAVZTWMFXSK-FQEVSTJZSA-N 2 1 315.505 3.319 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001658714446 1196292499 /nfs/dbraw/zinc/29/24/99/1196292499.db2.gz MXVODVCNWRQGMY-VAMGGRTRSA-N 3 1 323.569 3.430 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001659035629 1196336084 /nfs/dbraw/zinc/33/60/84/1196336084.db2.gz WFVHDLNILZLCJG-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCCCN3C)CC2)C1 ZINC001659035629 1196336089 /nfs/dbraw/zinc/33/60/89/1196336089.db2.gz WFVHDLNILZLCJG-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@]1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCO1 ZINC001659055012 1196338528 /nfs/dbraw/zinc/33/85/28/1196338528.db2.gz RMVBLIRWRHEJOV-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054738 1196338596 /nfs/dbraw/zinc/33/85/96/1196338596.db2.gz RZOAZPWBBAAUGG-APWZRJJASA-N 2 1 314.473 3.460 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054738 1196338601 /nfs/dbraw/zinc/33/86/01/1196338601.db2.gz RZOAZPWBBAAUGG-APWZRJJASA-N 2 1 314.473 3.460 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001659089972 1196342788 /nfs/dbraw/zinc/34/27/88/1196342788.db2.gz ZTWAOMALASSFHC-BQFCYCMXSA-N 2 1 301.478 3.199 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2N(C)C)CC1 ZINC001659132010 1196350228 /nfs/dbraw/zinc/35/02/28/1196350228.db2.gz TVNURRNXEWWDAD-AWEZNQCLSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001659716849 1196407897 /nfs/dbraw/zinc/40/78/97/1196407897.db2.gz VAQMEKGVENXPDT-MJBXVCDLSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1ccccc1Br)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001659716849 1196407898 /nfs/dbraw/zinc/40/78/98/1196407898.db2.gz VAQMEKGVENXPDT-MJBXVCDLSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1ccccc1Br)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001659716849 1196407899 /nfs/dbraw/zinc/40/78/99/1196407899.db2.gz VAQMEKGVENXPDT-MJBXVCDLSA-N 2 1 323.278 3.394 20 0 DGADMP CC[C@@H](C[N@@H+](CCOC)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001659804569 1196415852 /nfs/dbraw/zinc/41/58/52/1196415852.db2.gz JDQZBPKKHVTOSK-IBGZPJMESA-N 2 1 318.505 3.470 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC001659829193 1196419132 /nfs/dbraw/zinc/41/91/32/1196419132.db2.gz ZVGSLFTXZAASKG-FUHWJXTLSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1C ZINC001659829193 1196419135 /nfs/dbraw/zinc/41/91/35/1196419135.db2.gz ZVGSLFTXZAASKG-FUHWJXTLSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001659829193 1196419136 /nfs/dbraw/zinc/41/91/36/1196419136.db2.gz ZVGSLFTXZAASKG-FUHWJXTLSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001659829193 1196419139 /nfs/dbraw/zinc/41/91/39/1196419139.db2.gz ZVGSLFTXZAASKG-FUHWJXTLSA-N 2 1 304.503 3.422 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660126226 1196449035 /nfs/dbraw/zinc/44/90/35/1196449035.db2.gz BIJQSGLPKPHKMD-JQHSSLGASA-N 2 1 324.509 3.351 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660126226 1196449040 /nfs/dbraw/zinc/44/90/40/1196449040.db2.gz BIJQSGLPKPHKMD-JQHSSLGASA-N 2 1 324.509 3.351 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001660146418 1196451055 /nfs/dbraw/zinc/45/10/55/1196451055.db2.gz WJZAJJMHCRXFAT-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC001660459081 1196486282 /nfs/dbraw/zinc/48/62/82/1196486282.db2.gz YWMIJXYVIRQGFW-IEBWSBKVSA-N 2 1 310.526 3.493 20 0 DGADMP CCCn1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC001660945894 1196545693 /nfs/dbraw/zinc/54/56/93/1196545693.db2.gz ZJHNCMBUGQYFRV-HOTGVXAUSA-N 2 1 306.498 3.059 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2c[nH+]ccc2N(C)C)C1 ZINC001661424649 1196604126 /nfs/dbraw/zinc/60/41/26/1196604126.db2.gz DIUMVUOMOPUWNY-MRXNPFEDSA-N 2 1 318.509 3.138 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2c[nH+]ccc2N(C)C)C1 ZINC001661424649 1196604128 /nfs/dbraw/zinc/60/41/28/1196604128.db2.gz DIUMVUOMOPUWNY-MRXNPFEDSA-N 2 1 318.509 3.138 20 0 DGADMP CC[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001661454844 1196606837 /nfs/dbraw/zinc/60/68/37/1196606837.db2.gz WIRFRORMSLPWGT-PKOBYXMFSA-N 2 1 304.478 3.007 20 0 DGADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC001661601058 1196623341 /nfs/dbraw/zinc/62/33/41/1196623341.db2.gz QNEWXTJGEPWDNP-UHFFFAOYSA-N 2 1 316.474 3.222 20 0 DGADMP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001661950509 1196665693 /nfs/dbraw/zinc/66/56/93/1196665693.db2.gz SYCSBNRLLGLKEC-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001663767652 1196942364 /nfs/dbraw/zinc/94/23/64/1196942364.db2.gz MFGHFSOJSXXIDL-WMLDXEAASA-N 2 1 308.491 3.242 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001664543372 1197012301 /nfs/dbraw/zinc/01/23/01/1197012301.db2.gz LDYIQIAYTJROPX-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001664543372 1197012307 /nfs/dbraw/zinc/01/23/07/1197012307.db2.gz LDYIQIAYTJROPX-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001664543372 1197012312 /nfs/dbraw/zinc/01/23/12/1197012312.db2.gz LDYIQIAYTJROPX-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001665312535 1197121024 /nfs/dbraw/zinc/12/10/24/1197121024.db2.gz HMMAQSJDHBHPOM-UHFFFAOYSA-N 2 1 323.278 3.415 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001665312535 1197121026 /nfs/dbraw/zinc/12/10/26/1197121026.db2.gz HMMAQSJDHBHPOM-UHFFFAOYSA-N 2 1 323.278 3.415 20 0 DGADMP CCO[C@H](C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001665624272 1197160534 /nfs/dbraw/zinc/16/05/34/1197160534.db2.gz VMCRZQUBZJLNHS-CKEIUWERSA-N 2 1 312.885 3.388 20 0 DGADMP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001667258272 1197333428 /nfs/dbraw/zinc/33/34/28/1197333428.db2.gz ZYYICNHEVZQJOP-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(-c2ccccc2)c1 ZINC000322874672 1197688984 /nfs/dbraw/zinc/68/89/84/1197688984.db2.gz ZLQKROHQWLWEOQ-DJXYKJKZSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(-c2ccccc2)c1 ZINC000322874672 1197688986 /nfs/dbraw/zinc/68/89/86/1197688986.db2.gz ZLQKROHQWLWEOQ-DJXYKJKZSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(-c2ccccc2)c1 ZINC000322874673 1197689171 /nfs/dbraw/zinc/68/91/71/1197689171.db2.gz ZLQKROHQWLWEOQ-NMACRGETSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(-c2ccccc2)c1 ZINC000322874673 1197689173 /nfs/dbraw/zinc/68/91/73/1197689173.db2.gz ZLQKROHQWLWEOQ-NMACRGETSA-N 2 1 310.445 3.148 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000378919466 1197702483 /nfs/dbraw/zinc/70/24/83/1197702483.db2.gz CCUXMTUXRDLRHC-UONOGXRCSA-N 2 1 324.852 3.074 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000378919466 1197702489 /nfs/dbraw/zinc/70/24/89/1197702489.db2.gz CCUXMTUXRDLRHC-UONOGXRCSA-N 2 1 324.852 3.074 20 0 DGADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000386737679 1197707940 /nfs/dbraw/zinc/70/79/40/1197707940.db2.gz XIKKHBYUVXRUAQ-IEBWSBKVSA-N 2 1 315.505 3.161 20 0 DGADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000092375567 1198563652 /nfs/dbraw/zinc/56/36/52/1198563652.db2.gz FTMYWWJSEABCPO-UHFFFAOYSA-N 2 1 318.509 3.117 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000300532490 1199366481 /nfs/dbraw/zinc/36/64/81/1199366481.db2.gz VDVFHFMGXOYZDF-TYNCELHUSA-N 2 1 311.267 3.049 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000300532490 1199366487 /nfs/dbraw/zinc/36/64/87/1199366487.db2.gz VDVFHFMGXOYZDF-TYNCELHUSA-N 2 1 311.267 3.049 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000103173848 1199483551 /nfs/dbraw/zinc/48/35/51/1199483551.db2.gz JMBCVQSKXAPLPP-QGZVFWFLSA-N 2 1 304.503 3.036 20 0 DGADMP CCn1nc(C)c(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)c1C ZINC000105449173 1199540660 /nfs/dbraw/zinc/54/06/60/1199540660.db2.gz FPXYZTCZUNLCPJ-UHFFFAOYSA-N 2 1 314.477 3.261 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000105457723 1199542945 /nfs/dbraw/zinc/54/29/45/1199542945.db2.gz NNHFHIYGMUDRNP-OAHLLOKOSA-N 2 1 312.404 3.498 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000108428754 1199604470 /nfs/dbraw/zinc/60/44/70/1199604470.db2.gz FNQXFNZLBYXZGA-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000108428563 1199604751 /nfs/dbraw/zinc/60/47/51/1199604751.db2.gz VMDJFPPMTLCHQP-RDJZCZTQSA-N 2 1 320.477 3.304 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccsc3)CC2)oc1C ZINC000111412287 1199621076 /nfs/dbraw/zinc/62/10/76/1199621076.db2.gz PDFNOKLKCSKZMZ-UHFFFAOYSA-N 2 1 319.474 3.355 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119688666 1200107818 /nfs/dbraw/zinc/10/78/18/1200107818.db2.gz XXDMNCPMRYMBJD-JFIYKMOQSA-N 2 1 308.510 3.434 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000120783928 1200169978 /nfs/dbraw/zinc/16/99/78/1200169978.db2.gz LAPVBQXEXSCVOT-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000120784509 1200170845 /nfs/dbraw/zinc/17/08/45/1200170845.db2.gz MWZQEMDUDLXOHT-SFHVURJKSA-N 2 1 320.525 3.368 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000120784509 1200170849 /nfs/dbraw/zinc/17/08/49/1200170849.db2.gz MWZQEMDUDLXOHT-SFHVURJKSA-N 2 1 320.525 3.368 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000120856892 1200176327 /nfs/dbraw/zinc/17/63/27/1200176327.db2.gz IDSDEAXBABQNLI-QGZVFWFLSA-N 2 1 304.478 3.461 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120856892 1200176332 /nfs/dbraw/zinc/17/63/32/1200176332.db2.gz IDSDEAXBABQNLI-QGZVFWFLSA-N 2 1 304.478 3.461 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCc2ccc(OC)cc2C1)[NH+]1CCCC1 ZINC000121039486 1200191285 /nfs/dbraw/zinc/19/12/85/1200191285.db2.gz DJDFHZIUWQUWSM-QZTJIDSGSA-N 2 1 302.462 3.017 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000121824488 1200240243 /nfs/dbraw/zinc/24/02/43/1200240243.db2.gz FDPNQEAVDRPVKP-LSDHHAIUSA-N 2 1 305.422 3.286 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000121824488 1200240241 /nfs/dbraw/zinc/24/02/41/1200240241.db2.gz FDPNQEAVDRPVKP-LSDHHAIUSA-N 2 1 305.422 3.286 20 0 DGADMP Fc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ncccc12 ZINC000125289678 1200377242 /nfs/dbraw/zinc/37/72/42/1200377242.db2.gz CSQJJIXQSLHMTJ-UHFFFAOYSA-N 2 1 322.387 3.091 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001690447266 1200562466 /nfs/dbraw/zinc/56/24/66/1200562466.db2.gz ZCWNZWOUYXLGTI-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001690447266 1200562473 /nfs/dbraw/zinc/56/24/73/1200562473.db2.gz ZCWNZWOUYXLGTI-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690447266 1200562484 /nfs/dbraw/zinc/56/24/84/1200562484.db2.gz ZCWNZWOUYXLGTI-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000131291402 1201146002 /nfs/dbraw/zinc/14/60/02/1201146002.db2.gz JCZATUUQRBHLNT-UHFFFAOYSA-N 2 1 316.493 3.034 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000134003183 1201197408 /nfs/dbraw/zinc/19/74/08/1201197408.db2.gz SMLTYTMIXOTPQC-AWEZNQCLSA-N 2 1 306.498 3.470 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001700324613 1202236948 /nfs/dbraw/zinc/23/69/48/1202236948.db2.gz WDZXXZDKGMSJGL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700408679 1202264640 /nfs/dbraw/zinc/26/46/40/1202264640.db2.gz JZUPSXUAYXVQIJ-DLBZAZTESA-N 2 1 323.525 3.090 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671307 1202310339 /nfs/dbraw/zinc/31/03/39/1202310339.db2.gz UXMKQUNNAIDOKB-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000159988067 1202608173 /nfs/dbraw/zinc/60/81/73/1202608173.db2.gz UOOOEVCXZJDYID-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3C)cc2)CC1 ZINC000236963522 1202638547 /nfs/dbraw/zinc/63/85/47/1202638547.db2.gz LVTRIDSVEGGROM-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3C)cc2)CC1 ZINC000236963488 1202638636 /nfs/dbraw/zinc/63/86/36/1202638636.db2.gz LVTRIDSVEGGROM-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3C)cc2)CC1 ZINC000236963248 1202638667 /nfs/dbraw/zinc/63/86/67/1202638667.db2.gz LVTRIDSVEGGROM-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001714132842 1202795259 /nfs/dbraw/zinc/79/52/59/1202795259.db2.gz LNVQAESZTDKDJX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001714310833 1202877198 /nfs/dbraw/zinc/87/71/98/1202877198.db2.gz HRCRGOGZSKVGCI-BZSNNMDCSA-N 2 1 323.525 3.066 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC000259145496 1203416247 /nfs/dbraw/zinc/41/62/47/1203416247.db2.gz UTCITQAZYTYZER-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC000259145496 1203416249 /nfs/dbraw/zinc/41/62/49/1203416249.db2.gz UTCITQAZYTYZER-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001717237400 1203607588 /nfs/dbraw/zinc/60/75/88/1203607588.db2.gz IXAPTHGLTYVDAO-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001717237424 1203607612 /nfs/dbraw/zinc/60/76/12/1203607612.db2.gz JWDMATQXOKOLLT-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC000258771564 1203912769 /nfs/dbraw/zinc/91/27/69/1203912769.db2.gz KBJOZNUXCCXAJN-CQSZACIVSA-N 2 1 311.267 3.412 20 0 DGADMP CC(C)[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001724013259 1204001607 /nfs/dbraw/zinc/00/16/07/1204001607.db2.gz HNDJKYJRXKGNLW-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001725617886 1204181580 /nfs/dbraw/zinc/18/15/80/1204181580.db2.gz CWABTVHVKIPREL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731692982 1204507260 /nfs/dbraw/zinc/50/72/60/1204507260.db2.gz QFBBLCRRMATWAM-HZPDHXFCSA-N 2 1 323.525 3.065 20 0 DGADMP Cc1c[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1N ZINC001164632587 719094036 /nfs/dbraw/zinc/09/40/36/719094036.db2.gz ZSNRWIHQDXLZBB-HKUYNNGSSA-N 2 1 322.456 3.073 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000697848126 1087343281 /nfs/dbraw/zinc/34/32/81/1087343281.db2.gz CWSWXSUOYIVUOG-SNVBAGLBSA-N 2 1 303.219 3.018 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206002820 1092564425 /nfs/dbraw/zinc/56/44/25/1092564425.db2.gz BOQNYFVVRIQCTJ-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC001246466541 1104550793 /nfs/dbraw/zinc/55/07/93/1104550793.db2.gz WHVVKIVLLILPIR-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012235 1081578360 /nfs/dbraw/zinc/57/83/60/1081578360.db2.gz JFZUBJZBLKZNBT-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206013452 1081601350 /nfs/dbraw/zinc/60/13/50/1081601350.db2.gz RDUIZBIBUWPQFG-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP [NH3+]CCc1cn(-c2cccc(C3=[NH+]CCC3)c2)c2cccnc12 ZINC001169709710 1081635795 /nfs/dbraw/zinc/63/57/95/1081635795.db2.gz RRBCNMDRRWMZQQ-UHFFFAOYSA-N 2 1 304.397 3.110 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](CC)CCC(=O)OC)CC1 ZINC001208791930 1081649712 /nfs/dbraw/zinc/64/97/12/1081649712.db2.gz MZZDAAZUKFUXFW-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169959605 1081685306 /nfs/dbraw/zinc/68/53/06/1081685306.db2.gz PDLUKKNDJVRIBN-KSZLIROESA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169959605 1081685307 /nfs/dbraw/zinc/68/53/07/1081685307.db2.gz PDLUKKNDJVRIBN-KSZLIROESA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169959605 1081685311 /nfs/dbraw/zinc/68/53/11/1081685311.db2.gz PDLUKKNDJVRIBN-KSZLIROESA-N 2 1 322.493 3.011 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001167254923 1081851670 /nfs/dbraw/zinc/85/16/70/1081851670.db2.gz BASNUZPIOUAYGO-PKOBYXMFSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2F)CCC[C@@H]1C[NH3+] ZINC001206036337 1082076387 /nfs/dbraw/zinc/07/63/87/1082076387.db2.gz IRKXLQZVQDPIFL-GHMZBOCLSA-N 2 1 319.346 3.046 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)cc[nH+]1 ZINC001143384136 1082126121 /nfs/dbraw/zinc/12/61/21/1082126121.db2.gz GJCMWSUBRHJPSD-UHFFFAOYSA-N 2 1 313.420 3.468 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136334 1082177006 /nfs/dbraw/zinc/17/70/06/1082177006.db2.gz JUGJUJBEKTUAHS-OWCLPIDISA-N 2 1 304.482 3.289 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001266917255 1082336619 /nfs/dbraw/zinc/33/66/19/1082336619.db2.gz WKNSNSBUCRDECZ-ABHNRTSZSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592322 1082787102 /nfs/dbraw/zinc/78/71/02/1082787102.db2.gz CDZHHVZZIBPDEU-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592322 1082787107 /nfs/dbraw/zinc/78/71/07/1082787107.db2.gz CDZHHVZZIBPDEU-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592322 1082787111 /nfs/dbraw/zinc/78/71/11/1082787111.db2.gz CDZHHVZZIBPDEU-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207704 1082839697 /nfs/dbraw/zinc/83/96/97/1082839697.db2.gz VZIJZBGJLFDSJK-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207704 1082839699 /nfs/dbraw/zinc/83/96/99/1082839699.db2.gz VZIJZBGJLFDSJK-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207704 1082839703 /nfs/dbraw/zinc/83/97/03/1082839703.db2.gz VZIJZBGJLFDSJK-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CCCC[N@@H+]2C(C)C)c1C ZINC001170605070 1082852742 /nfs/dbraw/zinc/85/27/42/1082852742.db2.gz QWZZTGSDLWPCNY-QGZVFWFLSA-N 2 1 319.493 3.402 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CCCC[N@H+]2C(C)C)c1C ZINC001170605070 1082852744 /nfs/dbraw/zinc/85/27/44/1082852744.db2.gz QWZZTGSDLWPCNY-QGZVFWFLSA-N 2 1 319.493 3.402 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132491937 1082926386 /nfs/dbraw/zinc/92/63/86/1082926386.db2.gz ACBDDFJVPOUWGV-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001167697443 1083104727 /nfs/dbraw/zinc/10/47/27/1083104727.db2.gz ZNCQNTCMMOEDMW-KRWDZBQOSA-N 2 1 321.428 3.036 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479360 1083345022 /nfs/dbraw/zinc/34/50/22/1083345022.db2.gz GWRMQSNRFPMIIG-QGZVFWFLSA-N 2 1 302.462 3.216 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N ZINC001181153369 1083421590 /nfs/dbraw/zinc/42/15/90/1083421590.db2.gz CNBOFRGOMGYOEB-GOSISDBHSA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N ZINC001181153369 1083421595 /nfs/dbraw/zinc/42/15/95/1083421595.db2.gz CNBOFRGOMGYOEB-GOSISDBHSA-N 2 1 324.472 3.054 20 0 DGADMP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001267841463 1083429700 /nfs/dbraw/zinc/42/97/00/1083429700.db2.gz CEIUWGCHTXGARE-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001207485094 1083490297 /nfs/dbraw/zinc/49/02/97/1083490297.db2.gz RLGUKMJDEHVWLR-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001206540110 1083794828 /nfs/dbraw/zinc/79/48/28/1083794828.db2.gz ABCWCEPPIYXVEA-MRXNPFEDSA-N 2 1 300.368 3.097 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001206540110 1083794842 /nfs/dbraw/zinc/79/48/42/1083794842.db2.gz ABCWCEPPIYXVEA-MRXNPFEDSA-N 2 1 300.368 3.097 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001205255070 1083876981 /nfs/dbraw/zinc/87/69/81/1083876981.db2.gz FWHZBAVQBFTISR-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@]1(C)CCCCO1 ZINC001183282970 1083922844 /nfs/dbraw/zinc/92/28/44/1083922844.db2.gz XXWRJOZSHWRLNZ-HOJAQTOUSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3scnc3c2)CCN1c1cc[nH+]cc1 ZINC001183534593 1083973337 /nfs/dbraw/zinc/97/33/37/1083973337.db2.gz RFXQZRIXEOSPMC-CQSZACIVSA-N 2 1 324.453 3.402 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC001184303217 1084143537 /nfs/dbraw/zinc/14/35/37/1084143537.db2.gz NSHDHGCTIWTOTE-NASSWSRMSA-N 2 1 312.501 3.454 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001167833500 1084143559 /nfs/dbraw/zinc/14/35/59/1084143559.db2.gz CALRUOLEWGVVRH-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(Oc2ccccc2F)C1 ZINC001167837432 1084161248 /nfs/dbraw/zinc/16/12/48/1084161248.db2.gz JXJLBOJELNUZOY-OAHLLOKOSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001167838203 1084163596 /nfs/dbraw/zinc/16/35/96/1084163596.db2.gz RNADZBGEJKMZGD-AEFFLSMTSA-N 2 1 305.466 3.045 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205295925 1084168975 /nfs/dbraw/zinc/16/89/75/1084168975.db2.gz CNIPUDZTQGMZHA-OCCSQVGLSA-N 2 1 300.368 3.165 20 0 DGADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001167840629 1084173775 /nfs/dbraw/zinc/17/37/75/1084173775.db2.gz GSBIWQOADRMKEE-JYJNAYRXSA-N 2 1 300.487 3.016 20 0 DGADMP CCOC(=O)C[C@H]1CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167841058 1084176069 /nfs/dbraw/zinc/17/60/69/1084176069.db2.gz JUNHTENKZHNKDI-IAGOWNOFSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268156291 1084249409 /nfs/dbraw/zinc/24/94/09/1084249409.db2.gz JFZDVLPSYGOSMG-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)nc1 ZINC001167963752 1085819138 /nfs/dbraw/zinc/81/91/38/1085819138.db2.gz CHGSFZVJZHLRJJ-GOOCMWNKSA-N 2 1 318.852 3.055 20 0 DGADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167968757 1085898519 /nfs/dbraw/zinc/89/85/19/1085898519.db2.gz VDBDIUUPHNGTEN-YQQQUEKLSA-N 2 1 312.457 3.254 20 0 DGADMP c1cnc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCC2 ZINC001167968946 1085900496 /nfs/dbraw/zinc/90/04/96/1085900496.db2.gz XHKUAFKEGMSDPC-KVMCETHSSA-N 2 1 311.473 3.454 20 0 DGADMP CCOc1ncc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743032 1085904862 /nfs/dbraw/zinc/90/48/62/1085904862.db2.gz XXJRXNCYZSAFSA-UHFFFAOYSA-N 2 1 323.868 3.099 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973186 1085915741 /nfs/dbraw/zinc/91/57/41/1085915741.db2.gz IWMGOOWSGOZNBX-AQXGTKIOSA-N 2 1 314.473 3.318 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001167981716 1085932403 /nfs/dbraw/zinc/93/24/03/1085932403.db2.gz GMMWSQMUPHRJSL-MNIJEXPFSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](C)C1 ZINC001167981716 1085932414 /nfs/dbraw/zinc/93/24/14/1085932414.db2.gz GMMWSQMUPHRJSL-MNIJEXPFSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](C)C1 ZINC001167981716 1085932422 /nfs/dbraw/zinc/93/24/22/1085932422.db2.gz GMMWSQMUPHRJSL-MNIJEXPFSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001167981716 1085932433 /nfs/dbraw/zinc/93/24/33/1085932433.db2.gz GMMWSQMUPHRJSL-MNIJEXPFSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001167981716 1085932443 /nfs/dbraw/zinc/93/24/43/1085932443.db2.gz GMMWSQMUPHRJSL-MNIJEXPFSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](C)C1 ZINC001167981716 1085932457 /nfs/dbraw/zinc/93/24/57/1085932457.db2.gz GMMWSQMUPHRJSL-MNIJEXPFSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](C)C1 ZINC001167981716 1085932466 /nfs/dbraw/zinc/93/24/66/1085932466.db2.gz GMMWSQMUPHRJSL-MNIJEXPFSA-N 3 1 319.537 3.100 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001167987675 1086004840 /nfs/dbraw/zinc/00/48/40/1086004840.db2.gz MDSLFUZGJHWWBH-ZZJWQFMZSA-N 2 1 304.478 3.037 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001167987675 1086004849 /nfs/dbraw/zinc/00/48/49/1086004849.db2.gz MDSLFUZGJHWWBH-ZZJWQFMZSA-N 2 1 304.478 3.037 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001167987675 1086004858 /nfs/dbraw/zinc/00/48/58/1086004858.db2.gz MDSLFUZGJHWWBH-ZZJWQFMZSA-N 2 1 304.478 3.037 20 0 DGADMP c1cnc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167995572 1086063246 /nfs/dbraw/zinc/06/32/46/1086063246.db2.gz JLFSZRROPPMSKA-RZRMAFQFSA-N 2 1 312.461 3.019 20 0 DGADMP c1cnc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167995572 1086063264 /nfs/dbraw/zinc/06/32/64/1086063264.db2.gz JLFSZRROPPMSKA-RZRMAFQFSA-N 2 1 312.461 3.019 20 0 DGADMP c1cnc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001167995572 1086063266 /nfs/dbraw/zinc/06/32/66/1086063266.db2.gz JLFSZRROPPMSKA-RZRMAFQFSA-N 2 1 312.461 3.019 20 0 DGADMP c1cnc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001167995572 1086063273 /nfs/dbraw/zinc/06/32/73/1086063273.db2.gz JLFSZRROPPMSKA-RZRMAFQFSA-N 2 1 312.461 3.019 20 0 DGADMP CCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995646 1086063775 /nfs/dbraw/zinc/06/37/75/1086063775.db2.gz MHJMENYPHWZESL-YOFSQIOKSA-N 2 1 319.537 3.200 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+](C)C1CCN(C)CC1 ZINC001141602806 1086078553 /nfs/dbraw/zinc/07/85/53/1086078553.db2.gz PFAMGFRFUVEWIW-UHFFFAOYSA-N 2 1 316.367 3.240 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004888 1086139230 /nfs/dbraw/zinc/13/92/30/1086139230.db2.gz BHWSIVBOLCUMQY-DLRXZHIHSA-N 2 1 316.489 3.321 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204754996 1086159335 /nfs/dbraw/zinc/15/93/35/1086159335.db2.gz CMZCECHLAVCYET-LJQANCHMSA-N 2 1 320.477 3.195 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204754996 1086159337 /nfs/dbraw/zinc/15/93/37/1086159337.db2.gz CMZCECHLAVCYET-LJQANCHMSA-N 2 1 320.477 3.195 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007855 1086165736 /nfs/dbraw/zinc/16/57/36/1086165736.db2.gz VDRCSFNZVREOHA-XEMDLRDOSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749621 1086395541 /nfs/dbraw/zinc/39/55/41/1086395541.db2.gz RUIQMGQGVAFYFG-KSZLIROESA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749621 1086395552 /nfs/dbraw/zinc/39/55/52/1086395552.db2.gz RUIQMGQGVAFYFG-KSZLIROESA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749621 1086395560 /nfs/dbraw/zinc/39/55/60/1086395560.db2.gz RUIQMGQGVAFYFG-KSZLIROESA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC)[C@@H]1CC ZINC001087792196 1086411540 /nfs/dbraw/zinc/41/15/40/1086411540.db2.gz RRZCMRNQXLLZGA-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC)[C@@H]1CC ZINC001087792196 1086411547 /nfs/dbraw/zinc/41/15/47/1086411547.db2.gz RRZCMRNQXLLZGA-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC)[C@@H]1CC ZINC001087792196 1086411549 /nfs/dbraw/zinc/41/15/49/1086411549.db2.gz RRZCMRNQXLLZGA-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1O ZINC001168040254 1086502335 /nfs/dbraw/zinc/50/23/35/1086502335.db2.gz LRKSOXSSMKNKRK-YLAKUSLOSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1O ZINC001168040254 1086502341 /nfs/dbraw/zinc/50/23/41/1086502341.db2.gz LRKSOXSSMKNKRK-YLAKUSLOSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@](C)(CO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041352 1086507542 /nfs/dbraw/zinc/50/75/42/1086507542.db2.gz RYPRZUFUKRJCCD-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@](C)(CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041352 1086507549 /nfs/dbraw/zinc/50/75/49/1086507549.db2.gz RYPRZUFUKRJCCD-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041352 1086507558 /nfs/dbraw/zinc/50/75/58/1086507558.db2.gz RYPRZUFUKRJCCD-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041352 1086507569 /nfs/dbraw/zinc/50/75/69/1086507569.db2.gz RYPRZUFUKRJCCD-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(COC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168045797 1086525540 /nfs/dbraw/zinc/52/55/40/1086525540.db2.gz KKOJSMVVFZWZMX-IZZQQSIFSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(COC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045797 1086525549 /nfs/dbraw/zinc/52/55/49/1086525549.db2.gz KKOJSMVVFZWZMX-IZZQQSIFSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(COC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045797 1086525561 /nfs/dbraw/zinc/52/55/61/1086525561.db2.gz KKOJSMVVFZWZMX-IZZQQSIFSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064937 1086658811 /nfs/dbraw/zinc/65/88/11/1086658811.db2.gz SOWBWXPGAAJYJT-DSJDWBEOSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064937 1086658815 /nfs/dbraw/zinc/65/88/15/1086658815.db2.gz SOWBWXPGAAJYJT-DSJDWBEOSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](O)C[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064937 1086658816 /nfs/dbraw/zinc/65/88/16/1086658816.db2.gz SOWBWXPGAAJYJT-DSJDWBEOSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](O)C[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064937 1086658820 /nfs/dbraw/zinc/65/88/20/1086658820.db2.gz SOWBWXPGAAJYJT-DSJDWBEOSA-N 2 1 316.489 3.273 20 0 DGADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088327511 1086796264 /nfs/dbraw/zinc/79/62/64/1086796264.db2.gz OUEREZFAAHTVOL-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168291393 1087285235 /nfs/dbraw/zinc/28/52/35/1087285235.db2.gz LBHJLXQIJFNCOS-IBGZPJMESA-N 2 1 316.489 3.359 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC001168324258 1087293192 /nfs/dbraw/zinc/29/31/92/1087293192.db2.gz MBDGZTPINMXAPV-UYSNPLJNSA-N 2 1 310.482 3.055 20 0 DGADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC001168327348 1087295260 /nfs/dbraw/zinc/29/52/60/1087295260.db2.gz KBQUXKPCDIZASH-KKXNLOMOSA-N 2 1 315.505 3.066 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001168328515 1087296122 /nfs/dbraw/zinc/29/61/22/1087296122.db2.gz IWVFSRUGJGZNRR-UHFFFAOYSA-N 2 1 322.456 3.332 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001168328726 1087296337 /nfs/dbraw/zinc/29/63/37/1087296337.db2.gz BPMCKYHBBSVDJQ-LEOMRAHMSA-N 2 1 306.425 3.152 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCO1 ZINC001168338281 1087299007 /nfs/dbraw/zinc/29/90/07/1087299007.db2.gz YROSMUYEDMTTDH-BDVYOWHSSA-N 2 1 308.853 3.026 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCO1 ZINC001168338281 1087299013 /nfs/dbraw/zinc/29/90/13/1087299013.db2.gz YROSMUYEDMTTDH-BDVYOWHSSA-N 2 1 308.853 3.026 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC001212142375 1087519446 /nfs/dbraw/zinc/51/94/46/1087519446.db2.gz JUCPUYOWVVKTCR-AWEZNQCLSA-N 2 1 324.375 3.183 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389441 1087548420 /nfs/dbraw/zinc/54/84/20/1087548420.db2.gz QITSHZXHBYHFRI-UHFFFAOYSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4cc(F)ccc4C3)C2)CC1 ZINC001168438536 1087689709 /nfs/dbraw/zinc/68/97/09/1087689709.db2.gz BKEKUDQMJPCAAD-GOSISDBHSA-N 2 1 302.437 3.101 20 0 DGADMP Cc1cc2c(nc[nH+]c2N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH]1 ZINC001158265445 1087750430 /nfs/dbraw/zinc/75/04/30/1087750430.db2.gz HRKDOKFQMLNJRO-YVEFUNNKSA-N 2 1 301.438 3.222 20 0 DGADMP C[N@H+](Cc1cccc(Br)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699304542 1087946262 /nfs/dbraw/zinc/94/62/62/1087946262.db2.gz HXGCGFNGCVBRFA-VHRNVKJDSA-N 2 1 323.278 3.412 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)cnc2F)C1 ZINC001206647215 1088275832 /nfs/dbraw/zinc/27/58/32/1088275832.db2.gz HHUGWDKRYQSLCX-OAHLLOKOSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)C1 ZINC001206647215 1088275846 /nfs/dbraw/zinc/27/58/46/1088275846.db2.gz HHUGWDKRYQSLCX-OAHLLOKOSA-N 2 1 313.420 3.449 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206649099 1088327258 /nfs/dbraw/zinc/32/72/58/1088327258.db2.gz QIFPKHYDNJNJSL-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP C[NH+]1C(C)(C)CC(Nc2nc(N3CCCC3)cc[nH+]2)CC1(C)C ZINC001159391395 1088331681 /nfs/dbraw/zinc/33/16/81/1088331681.db2.gz FZIWISIYNPGZID-UHFFFAOYSA-N 2 1 317.481 3.140 20 0 DGADMP c1cc(CN2CC[NH2+]CC2)cc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001159446691 1088350201 /nfs/dbraw/zinc/35/02/01/1088350201.db2.gz DEBMNEVXKISDKH-UHFFFAOYSA-N 2 1 318.424 3.384 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235937931 1088482752 /nfs/dbraw/zinc/48/27/52/1088482752.db2.gz JRLBFYZXWPHYSU-KBPBESRZSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235937931 1088482756 /nfs/dbraw/zinc/48/27/56/1088482756.db2.gz JRLBFYZXWPHYSU-KBPBESRZSA-N 2 1 323.278 3.107 20 0 DGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001235963098 1088494358 /nfs/dbraw/zinc/49/43/58/1088494358.db2.gz QHGUOFGHBMQTIA-HZPDHXFCSA-N 2 1 300.462 3.341 20 0 DGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235963098 1088494366 /nfs/dbraw/zinc/49/43/66/1088494366.db2.gz QHGUOFGHBMQTIA-HZPDHXFCSA-N 2 1 300.462 3.341 20 0 DGADMP Fc1cccc(O[C@@H]2CC[NH2+]C2)c1Nc1cc[nH+]c2ccccc12 ZINC001160128172 1088654030 /nfs/dbraw/zinc/65/40/30/1088654030.db2.gz NYYANEXSVHJAFN-CYBMUJFWSA-N 2 1 323.371 3.280 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC[C@H]2CCCC[NH2+]2)nc1 ZINC001160150627 1088670753 /nfs/dbraw/zinc/67/07/53/1088670753.db2.gz KDSRSKMFWUWTMS-SJORKVTESA-N 2 1 302.466 3.183 20 0 DGADMP c1cc2c(c(Nc3ccc4c[nH+]ccc4c3)c1)[C@H]1C[NH2+]C[C@H]1O2 ZINC001160394354 1088778777 /nfs/dbraw/zinc/77/87/77/1088778777.db2.gz IDDAVCVJLDASRC-MAUKXSAKSA-N 2 1 303.365 3.426 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc1 ZINC001155039717 1088911168 /nfs/dbraw/zinc/91/11/68/1088911168.db2.gz XULGMLKTOQKJBK-YESZJQIVSA-N 2 1 320.456 3.131 20 0 DGADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@H]1Nc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001160743889 1088939867 /nfs/dbraw/zinc/93/98/67/1088939867.db2.gz OYHNCUYFUYRTPL-DGCLKSJQSA-N 2 1 324.350 3.004 20 0 DGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226848 1089014823 /nfs/dbraw/zinc/01/48/23/1089014823.db2.gz OQTGFSCNPKUGJC-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226848 1089014837 /nfs/dbraw/zinc/01/48/37/1089014837.db2.gz OQTGFSCNPKUGJC-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226848 1089014850 /nfs/dbraw/zinc/01/48/50/1089014850.db2.gz OQTGFSCNPKUGJC-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1OC)C[C@H]1CC[NH2+]C1 ZINC001236410141 1089061533 /nfs/dbraw/zinc/06/15/33/1089061533.db2.gz DNKVFUORFUILCC-NSHDSACASA-N 2 1 317.260 3.433 20 0 DGADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1OC)C[C@H]1CC[NH2+]C1 ZINC001236410141 1089061553 /nfs/dbraw/zinc/06/15/53/1089061553.db2.gz DNKVFUORFUILCC-NSHDSACASA-N 2 1 317.260 3.433 20 0 DGADMP CCCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001212273422 1089142746 /nfs/dbraw/zinc/14/27/46/1089142746.db2.gz STGFGMKGHKNWQS-HNNXBMFYSA-N 2 1 302.422 3.378 20 0 DGADMP C[N@@H+](Cc1ccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc1)C1CC1 ZINC001155553164 1089159992 /nfs/dbraw/zinc/15/99/92/1089159992.db2.gz NXSSUJRSRNULDD-QUCCMNQESA-N 2 1 322.456 3.191 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(NCC3CC[NH+](CC4CCC4)CC3)c12 ZINC001161229345 1089161310 /nfs/dbraw/zinc/16/13/10/1089161310.db2.gz QKSAKDLOCWNOFM-UHFFFAOYSA-N 2 1 313.449 3.190 20 0 DGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155599255 1089181112 /nfs/dbraw/zinc/18/11/12/1089181112.db2.gz SCYILOMBQLYYIU-KXBFYZLASA-N 2 1 311.429 3.114 20 0 DGADMP Cc1cc2c(nc[nH+]c2N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)[nH]1 ZINC001161674927 1089339961 /nfs/dbraw/zinc/33/99/61/1089339961.db2.gz DFPZQHONEOEPCR-HDJSIYSDSA-N 2 1 315.465 3.389 20 0 DGADMP Cc1c[nH+]c(NCc2cccc(C[NH+](C)C)c2)nc1NC1CC1 ZINC001156044230 1089363275 /nfs/dbraw/zinc/36/32/75/1089363275.db2.gz LRUAVUNRVZFVNY-UHFFFAOYSA-N 2 1 311.433 3.033 20 0 DGADMP CC(C)OCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001161788494 1089401898 /nfs/dbraw/zinc/40/18/98/1089401898.db2.gz AHHSRXXYDIXFAW-INIZCTEOSA-N 2 1 316.449 3.188 20 0 DGADMP COc1cccc(C2(Nc3[nH+]cc(C)cc3C)CC[NH2+]CC2)c1 ZINC001161996625 1089515005 /nfs/dbraw/zinc/51/50/05/1089515005.db2.gz ZJLCKVYIWNEBKW-UHFFFAOYSA-N 2 1 311.429 3.398 20 0 DGADMP CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001484718962 1089610430 /nfs/dbraw/zinc/61/04/30/1089610430.db2.gz WKLBOLYMCRUXGM-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001484718962 1089610435 /nfs/dbraw/zinc/61/04/35/1089610435.db2.gz WKLBOLYMCRUXGM-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001484718962 1089610439 /nfs/dbraw/zinc/61/04/39/1089610439.db2.gz WKLBOLYMCRUXGM-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162395841 1089713437 /nfs/dbraw/zinc/71/34/37/1089713437.db2.gz WACXQXMYMJMMSS-HYVNUMGLSA-N 2 1 302.466 3.138 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(Cl)nc2c1CC[NH2+]C2 ZINC001156929772 1089753422 /nfs/dbraw/zinc/75/34/22/1089753422.db2.gz ZETGCXBHFOVICZ-CYBMUJFWSA-N 2 1 322.884 3.057 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C)[C@]2(C)CCC[NH2+]C2)nc1 ZINC001156976615 1089771699 /nfs/dbraw/zinc/77/16/99/1089771699.db2.gz JWWTTWNMQLENBI-IEBWSBKVSA-N 2 1 316.493 3.207 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC(=N)SCC[NH3+])nc1 ZINC001157136928 1089838039 /nfs/dbraw/zinc/83/80/39/1089838039.db2.gz QHTXZXAOLLOPHJ-CQSZACIVSA-N 2 1 321.494 3.057 20 0 DGADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N(CC)C2C[NH+](C)C2)nc1 ZINC001157461574 1089978401 /nfs/dbraw/zinc/97/84/01/1089978401.db2.gz OGFRWRQMIDLNJA-SFHVURJKSA-N 2 1 316.493 3.159 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(CC)C2C[NH+](C)C2)nc1 ZINC001157461574 1089978413 /nfs/dbraw/zinc/97/84/13/1089978413.db2.gz OGFRWRQMIDLNJA-SFHVURJKSA-N 2 1 316.493 3.159 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1[nH+]ccc2c1ccn2C ZINC001157553877 1090024014 /nfs/dbraw/zinc/02/40/14/1090024014.db2.gz KESLKJABPOGTCK-UHFFFAOYSA-N 2 1 308.429 3.142 20 0 DGADMP Cc1ccc2c(c1)[C@@H](Nc1cc[nH+]c(CN)c1)CC21CC[NH2+]CC1 ZINC001163033364 1090056443 /nfs/dbraw/zinc/05/64/43/1090056443.db2.gz DQJXTQNPYMNNID-IBGZPJMESA-N 2 1 322.456 3.027 20 0 DGADMP Cc1ccc2c(c1)[C@@H](Nc1ccc(N)[nH+]c1)CC21CC[NH2+]CC1 ZINC001163034393 1090057625 /nfs/dbraw/zinc/05/76/25/1090057625.db2.gz QFTTXNVGDBXMQY-KRWDZBQOSA-N 2 1 308.429 3.150 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]([NH3+])[C@H]2C)nc1 ZINC001157745455 1090096184 /nfs/dbraw/zinc/09/61/84/1090096184.db2.gz ISSYWTBKICKSJS-BPQIPLTHSA-N 2 1 316.493 3.335 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(CC[NH2+]C)C(C)(C)C)nc1 ZINC001157836537 1090126049 /nfs/dbraw/zinc/12/60/49/1090126049.db2.gz KOUVDEOJWFDYHI-KRWDZBQOSA-N 2 1 318.509 3.453 20 0 DGADMP COC(=O)c1c(C)cc(C)[nH+]c1NC1CCC(C[NH+](C)C)CC1 ZINC001163299369 1090144023 /nfs/dbraw/zinc/14/40/23/1090144023.db2.gz UWYZLRQYGSNRPE-UHFFFAOYSA-N 2 1 319.449 3.017 20 0 DGADMP C[NH+](C)CC1CCC(Nc2ccc(C[N@@H+](C)C3CC3)cn2)CC1 ZINC001163303806 1090144767 /nfs/dbraw/zinc/14/47/67/1090144767.db2.gz QJHBDDYBTQJLHZ-UHFFFAOYSA-N 2 1 316.493 3.208 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(N3CCCC3)cc[nH+]2)[C@@H](C)C1 ZINC001163365838 1090165501 /nfs/dbraw/zinc/16/55/01/1090165501.db2.gz OAGFLEOALLYIDM-DOTOQJQBSA-N 2 1 302.466 3.213 20 0 DGADMP Cc1c[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)c(C)c1 ZINC001163881486 1090279733 /nfs/dbraw/zinc/27/97/33/1090279733.db2.gz HXRLBMZMMRXEFG-UHFFFAOYSA-N 2 1 317.477 3.027 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2C1CCCC1 ZINC001164467820 1090427620 /nfs/dbraw/zinc/42/76/20/1090427620.db2.gz NFPUUBJVNBUXLL-UONOGXRCSA-N 2 1 313.449 3.110 20 0 DGADMP CCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501278 1090433218 /nfs/dbraw/zinc/43/32/18/1090433218.db2.gz XILKAERBJJGNPA-SFHVURJKSA-N 2 1 323.525 3.070 20 0 DGADMP CCOc1ccnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165084129 1090461966 /nfs/dbraw/zinc/46/19/66/1090461966.db2.gz JLOWYDSLXAOUIH-MJGOQNOKSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165084129 1090461970 /nfs/dbraw/zinc/46/19/70/1090461970.db2.gz JLOWYDSLXAOUIH-MJGOQNOKSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165084129 1090461971 /nfs/dbraw/zinc/46/19/71/1090461971.db2.gz JLOWYDSLXAOUIH-MJGOQNOKSA-N 2 1 323.440 3.191 20 0 DGADMP C[N@H+]1CCC[C@H](CCNc2ccc([C@@H]3CCC[NH2+]C3)cc2)C1 ZINC001165300478 1090499770 /nfs/dbraw/zinc/49/97/70/1090499770.db2.gz OZRVNIQZXOEGNH-SJLPKXTDSA-N 2 1 301.478 3.297 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC001206717292 1090648377 /nfs/dbraw/zinc/64/83/77/1090648377.db2.gz GGXKGWPTOPWNRO-GOSISDBHSA-N 2 1 322.880 3.417 20 0 DGADMP Cn1cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203270460 1090710522 /nfs/dbraw/zinc/71/05/22/1090710522.db2.gz DEYZIGHPSHXVMO-WOJBJXKFSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203270460 1090710529 /nfs/dbraw/zinc/71/05/29/1090710529.db2.gz DEYZIGHPSHXVMO-WOJBJXKFSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203270460 1090710533 /nfs/dbraw/zinc/71/05/33/1090710533.db2.gz DEYZIGHPSHXVMO-WOJBJXKFSA-N 2 1 323.484 3.369 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001203709917 1090786349 /nfs/dbraw/zinc/78/63/49/1090786349.db2.gz VKLBAXBBIYWCMH-IBGZPJMESA-N 2 1 302.462 3.070 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001203709917 1090786353 /nfs/dbraw/zinc/78/63/53/1090786353.db2.gz VKLBAXBBIYWCMH-IBGZPJMESA-N 2 1 302.462 3.070 20 0 DGADMP COc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001203819584 1090813393 /nfs/dbraw/zinc/81/33/93/1090813393.db2.gz XHVHLPAMACVQDU-UHFFFAOYSA-N 2 1 311.429 3.138 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204004631 1090865331 /nfs/dbraw/zinc/86/53/31/1090865331.db2.gz FQDNSVZHUFCLJQ-SFHVURJKSA-N 2 1 313.445 3.484 20 0 DGADMP c1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001204062088 1090887569 /nfs/dbraw/zinc/88/75/69/1090887569.db2.gz FHYGNDHHAXONEY-UYWIDEMCSA-N 2 1 323.484 3.477 20 0 DGADMP c1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001204062088 1090887580 /nfs/dbraw/zinc/88/75/80/1090887580.db2.gz FHYGNDHHAXONEY-UYWIDEMCSA-N 2 1 323.484 3.477 20 0 DGADMP c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001204062088 1090887590 /nfs/dbraw/zinc/88/75/90/1090887590.db2.gz FHYGNDHHAXONEY-UYWIDEMCSA-N 2 1 323.484 3.477 20 0 DGADMP c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001204062088 1090887596 /nfs/dbraw/zinc/88/75/96/1090887596.db2.gz FHYGNDHHAXONEY-UYWIDEMCSA-N 2 1 323.484 3.477 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)s2)o1 ZINC001204088917 1090898677 /nfs/dbraw/zinc/89/86/77/1090898677.db2.gz IMFMBHDXWHDWME-VHDGCEQUSA-N 2 1 317.458 3.141 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)s2)o1 ZINC001204088917 1090898686 /nfs/dbraw/zinc/89/86/86/1090898686.db2.gz IMFMBHDXWHDWME-VHDGCEQUSA-N 2 1 317.458 3.141 20 0 DGADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276442216 1090905469 /nfs/dbraw/zinc/90/54/69/1090905469.db2.gz ALQAZHQDKSKLNW-RTBURBONSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCCO1)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276442216 1090905477 /nfs/dbraw/zinc/90/54/77/1090905477.db2.gz ALQAZHQDKSKLNW-RTBURBONSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCCO1)[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276442216 1090905482 /nfs/dbraw/zinc/90/54/82/1090905482.db2.gz ALQAZHQDKSKLNW-RTBURBONSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1 ZINC001204263237 1090936210 /nfs/dbraw/zinc/93/62/10/1090936210.db2.gz IPHNLAGIVPBQSY-WBVHZDCISA-N 2 1 324.415 3.104 20 0 DGADMP CC/C=C\CCC[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276465579 1090971411 /nfs/dbraw/zinc/97/14/11/1090971411.db2.gz KXEWPXDHNIZCPL-PRPIBZDOSA-N 2 1 321.553 3.472 20 0 DGADMP CC/C=C\CCC[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276466178 1090973910 /nfs/dbraw/zinc/97/39/10/1090973910.db2.gz YSPYNUHQCFFYER-SFFCAUCYSA-N 2 1 307.526 3.082 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)cc1C(F)(F)F)CC2 ZINC001204484674 1090980436 /nfs/dbraw/zinc/98/04/36/1090980436.db2.gz PCPSNQOQTCXQQL-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276470241 1090987856 /nfs/dbraw/zinc/98/78/56/1090987856.db2.gz JBGSURKOQUZHFZ-YESZJQIVSA-N 2 1 321.534 3.300 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276470241 1090987860 /nfs/dbraw/zinc/98/78/60/1090987860.db2.gz JBGSURKOQUZHFZ-YESZJQIVSA-N 2 1 321.534 3.300 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276470241 1090987865 /nfs/dbraw/zinc/98/78/65/1090987865.db2.gz JBGSURKOQUZHFZ-YESZJQIVSA-N 2 1 321.534 3.300 20 0 DGADMP COc1ccc2cc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc2c1 ZINC001204516396 1090989403 /nfs/dbraw/zinc/98/94/03/1090989403.db2.gz BSKXCUJWWJHWIA-UYAOXDASSA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc2cc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc2c1 ZINC001204516396 1090989407 /nfs/dbraw/zinc/98/94/07/1090989407.db2.gz BSKXCUJWWJHWIA-UYAOXDASSA-N 2 1 310.441 3.232 20 0 DGADMP c1csc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001204546109 1090996879 /nfs/dbraw/zinc/99/68/79/1090996879.db2.gz GPCHXVNOCWACMQ-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP c1csc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n1 ZINC001204546109 1090996882 /nfs/dbraw/zinc/99/68/82/1090996882.db2.gz GPCHXVNOCWACMQ-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP CCC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)[C@@H](C)CC ZINC001204630819 1091009150 /nfs/dbraw/zinc/00/91/50/1091009150.db2.gz YCKMRRSEGVPFHY-KRWDZBQOSA-N 2 1 303.494 3.102 20 0 DGADMP Cc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCc1ccccc1 ZINC001204646400 1091011901 /nfs/dbraw/zinc/01/19/01/1091011901.db2.gz RESYNQMVBIYXJJ-UHFFFAOYSA-N 2 1 310.441 3.497 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204735403 1091024785 /nfs/dbraw/zinc/02/47/85/1091024785.db2.gz SVGJASULIFBYSI-UHFFFAOYSA-N 2 1 324.415 3.329 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735039 1091025031 /nfs/dbraw/zinc/02/50/31/1091025031.db2.gz JVUSSVVKVNKXLC-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735368 1091025660 /nfs/dbraw/zinc/02/56/60/1091025660.db2.gz QZNKKZIQZFMRDU-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP Clc1cccc2c1C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001168737639 1091026415 /nfs/dbraw/zinc/02/64/15/1091026415.db2.gz BMIQSSGLIYYADV-AWEZNQCLSA-N 2 1 301.821 3.343 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCO1 ZINC001204754871 1091030338 /nfs/dbraw/zinc/03/03/38/1091030338.db2.gz AYEWPFXJXMRWRA-OAHLLOKOSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCO1 ZINC001204754871 1091030343 /nfs/dbraw/zinc/03/03/43/1091030343.db2.gz AYEWPFXJXMRWRA-OAHLLOKOSA-N 2 1 320.820 3.150 20 0 DGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204755254 1091030836 /nfs/dbraw/zinc/03/08/36/1091030836.db2.gz DZLIQBUQPICSBT-AWEZNQCLSA-N 2 1 315.461 3.015 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)cc2)cc1 ZINC001204755811 1091031670 /nfs/dbraw/zinc/03/16/70/1091031670.db2.gz IUXHSSKLHFZUNU-HXUWFJFHSA-N 2 1 310.441 3.212 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001204797455 1091038652 /nfs/dbraw/zinc/03/86/52/1091038652.db2.gz ZDZNEKOEJUQAJI-UHFFFAOYSA-N 2 1 323.278 3.149 20 0 DGADMP CN1CCC([N@@H+](Cc2nc3ccccc3[nH]2)C2CCCC2)CC1 ZINC001204808087 1091039917 /nfs/dbraw/zinc/03/99/17/1091039917.db2.gz JDEOMBKBJMVZMU-UHFFFAOYSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC(N(Cc2nc3ccccc3[nH]2)C2CCCC2)CC1 ZINC001204808087 1091039923 /nfs/dbraw/zinc/03/99/23/1091039923.db2.gz JDEOMBKBJMVZMU-UHFFFAOYSA-N 2 1 312.461 3.402 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204869529 1091051708 /nfs/dbraw/zinc/05/17/08/1091051708.db2.gz BIJYUSJMXLNROW-WMZOPIPTSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CN1Cc1ccccc1 ZINC001204896843 1091058088 /nfs/dbraw/zinc/05/80/88/1091058088.db2.gz PYFNYOVUNPADAD-ZWKOTPCHSA-N 2 1 303.494 3.100 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001204954410 1091071480 /nfs/dbraw/zinc/07/14/80/1091071480.db2.gz GXTMFNPZHIOKDZ-SFHVURJKSA-N 2 1 318.461 3.103 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)CC1 ZINC001205101435 1091102006 /nfs/dbraw/zinc/10/20/06/1091102006.db2.gz FELGUJHIQHJGSR-CYBMUJFWSA-N 2 1 322.250 3.244 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc(C)c1Br ZINC001205117719 1091106707 /nfs/dbraw/zinc/10/67/07/1091106707.db2.gz SQSLDAOMLZLTQW-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C)c1Br ZINC001205117719 1091106709 /nfs/dbraw/zinc/10/67/09/1091106709.db2.gz SQSLDAOMLZLTQW-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc2c1NC(C)(C)C=C2 ZINC001205130633 1091108959 /nfs/dbraw/zinc/10/89/59/1091108959.db2.gz KQCVPKUJWFZNFQ-INIZCTEOSA-N 2 1 315.461 3.226 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205151088 1091113262 /nfs/dbraw/zinc/11/32/62/1091113262.db2.gz ORWGWMFJLOJILD-MAUKXSAKSA-N 2 1 310.441 3.389 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205212304 1091132620 /nfs/dbraw/zinc/13/26/20/1091132620.db2.gz YIEPLCPBIJABLF-YLJYHZDGSA-N 2 1 318.505 3.164 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3nccnc23)CC1 ZINC001138304519 1091135826 /nfs/dbraw/zinc/13/58/26/1091135826.db2.gz NBLQTMVRPLBKHS-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001205231182 1091140272 /nfs/dbraw/zinc/14/02/72/1091140272.db2.gz XLZMGPOAFYSVAM-FQEVSTJZSA-N 2 1 324.424 3.262 20 0 DGADMP C[C@@]1([NH3+])CCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254769 1091151147 /nfs/dbraw/zinc/15/11/47/1091151147.db2.gz AYTUZTVBERTFPN-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254769 1091151150 /nfs/dbraw/zinc/15/11/50/1091151150.db2.gz AYTUZTVBERTFPN-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254769 1091151155 /nfs/dbraw/zinc/15/11/55/1091151155.db2.gz AYTUZTVBERTFPN-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205254769 1091151158 /nfs/dbraw/zinc/15/11/58/1091151158.db2.gz AYTUZTVBERTFPN-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254769 1091151163 /nfs/dbraw/zinc/15/11/63/1091151163.db2.gz AYTUZTVBERTFPN-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205264813 1091155412 /nfs/dbraw/zinc/15/54/12/1091155412.db2.gz MZRRSSJTPIBFCM-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205264813 1091155417 /nfs/dbraw/zinc/15/54/17/1091155417.db2.gz MZRRSSJTPIBFCM-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001205266973 1091157350 /nfs/dbraw/zinc/15/73/50/1091157350.db2.gz ZCVCSRBLRNAWKX-AWEZNQCLSA-N 2 1 302.340 3.289 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205273204 1091159295 /nfs/dbraw/zinc/15/92/95/1091159295.db2.gz HTTFEMQAAYEZKZ-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205273204 1091159301 /nfs/dbraw/zinc/15/93/01/1091159301.db2.gz HTTFEMQAAYEZKZ-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205280859 1091162783 /nfs/dbraw/zinc/16/27/83/1091162783.db2.gz KKAKUFAMAWMVPG-IBGZPJMESA-N 2 1 317.477 3.496 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205280859 1091162787 /nfs/dbraw/zinc/16/27/87/1091162787.db2.gz KKAKUFAMAWMVPG-IBGZPJMESA-N 2 1 317.477 3.496 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205289168 1091167640 /nfs/dbraw/zinc/16/76/40/1091167640.db2.gz UDOGPOSNKOKGOD-LJQANCHMSA-N 2 1 320.477 3.462 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303292 1091172416 /nfs/dbraw/zinc/17/24/16/1091172416.db2.gz CCLKQZUEPUVGHM-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303292 1091172424 /nfs/dbraw/zinc/17/24/24/1091172424.db2.gz CCLKQZUEPUVGHM-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H]1C[NH3+] ZINC001205303429 1091173548 /nfs/dbraw/zinc/17/35/48/1091173548.db2.gz FLMDVSXQWXQQRO-RHSMWYFYSA-N 2 1 302.462 3.207 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303440 1091173741 /nfs/dbraw/zinc/17/37/41/1091173741.db2.gz FQCVDVMPIBDGKT-GXTWGEPZSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303440 1091173744 /nfs/dbraw/zinc/17/37/44/1091173744.db2.gz FQCVDVMPIBDGKT-GXTWGEPZSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C[C@H]1C[NH3+] ZINC001205304323 1091174215 /nfs/dbraw/zinc/17/42/15/1091174215.db2.gz NTDOKTNVUGGANW-ZIAGYGMSSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C[C@H]1C[NH3+] ZINC001205304322 1091175541 /nfs/dbraw/zinc/17/55/41/1091175541.db2.gz NTDOKTNVUGGANW-UONOGXRCSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC001205315868 1091179799 /nfs/dbraw/zinc/17/97/99/1091179799.db2.gz HWAWXDPTIHCYOB-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC001205315868 1091179803 /nfs/dbraw/zinc/17/98/03/1091179803.db2.gz HWAWXDPTIHCYOB-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C[C@H]1C[NH3+] ZINC001205315390 1091180565 /nfs/dbraw/zinc/18/05/65/1091180565.db2.gz FWTXALAFEGLXCP-DZGCQCFKSA-N 2 1 301.409 3.238 20 0 DGADMP c1ccc([C@@H]2CC[N@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001205339220 1091191466 /nfs/dbraw/zinc/19/14/66/1091191466.db2.gz GWVWGMXVSCZDMM-LJQANCHMSA-N 2 1 321.468 3.086 20 0 DGADMP c1ccc([C@@H]2CC[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001205339915 1091193252 /nfs/dbraw/zinc/19/32/52/1091193252.db2.gz NVNKJKJRVSKDBJ-HXUWFJFHSA-N 2 1 321.468 3.086 20 0 DGADMP CC(C)(C)[C@]1(C[NH2+][C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205415007 1091215711 /nfs/dbraw/zinc/21/57/11/1091215711.db2.gz UMZOPHFLZZMFKK-QUCCMNQESA-N 2 1 316.489 3.303 20 0 DGADMP CCN(CC[NH+](CC)CC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547235 1091221470 /nfs/dbraw/zinc/22/14/70/1091221470.db2.gz IIRGHESCCXRERT-UHFFFAOYSA-N 2 1 314.477 3.344 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1 ZINC001138544288 1091221800 /nfs/dbraw/zinc/22/18/00/1091221800.db2.gz FVWLTXRCBZDEGX-KXBFYZLASA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1 ZINC001138544288 1091221806 /nfs/dbraw/zinc/22/18/06/1091221806.db2.gz FVWLTXRCBZDEGX-KXBFYZLASA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1 ZINC001138544288 1091221808 /nfs/dbraw/zinc/22/18/08/1091221808.db2.gz FVWLTXRCBZDEGX-KXBFYZLASA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1 ZINC001138542426 1091221881 /nfs/dbraw/zinc/22/18/81/1091221881.db2.gz CAILXNSXFAUCFV-UCLAIMLFSA-N 2 1 311.429 3.180 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1 ZINC001138542426 1091221891 /nfs/dbraw/zinc/22/18/91/1091221891.db2.gz CAILXNSXFAUCFV-UCLAIMLFSA-N 2 1 311.429 3.180 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC001138545028 1091222709 /nfs/dbraw/zinc/22/27/09/1091222709.db2.gz QPLUPEOIOUGTET-IBGZPJMESA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC001138545028 1091222720 /nfs/dbraw/zinc/22/27/20/1091222720.db2.gz QPLUPEOIOUGTET-IBGZPJMESA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC001138545030 1091222734 /nfs/dbraw/zinc/22/27/34/1091222734.db2.gz QPLUPEOIOUGTET-LJQANCHMSA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC001138545030 1091222746 /nfs/dbraw/zinc/22/27/46/1091222746.db2.gz QPLUPEOIOUGTET-LJQANCHMSA-N 2 1 311.429 3.183 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(C(F)(F)F)nc1)C1CCN(C)CC1 ZINC001205449884 1091224916 /nfs/dbraw/zinc/22/49/16/1091224916.db2.gz MZHVNEZQWKQCSI-UHFFFAOYSA-N 2 1 315.383 3.405 20 0 DGADMP CC(C)N(Cc1ccc(C(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC001205449884 1091224928 /nfs/dbraw/zinc/22/49/28/1091224928.db2.gz MZHVNEZQWKQCSI-UHFFFAOYSA-N 2 1 315.383 3.405 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc2c1 ZINC001205545442 1091248277 /nfs/dbraw/zinc/24/82/77/1091248277.db2.gz HFEZGEGHANHCIG-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@H]2C1 ZINC001138608076 1091249975 /nfs/dbraw/zinc/24/99/75/1091249975.db2.gz XJYFOPNSXISZDZ-RTBURBONSA-N 2 1 313.489 3.060 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001205558196 1091253640 /nfs/dbraw/zinc/25/36/40/1091253640.db2.gz CHQWGYSTUZYEEP-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559416 1091253829 /nfs/dbraw/zinc/25/38/29/1091253829.db2.gz QECMPMWIDVNMAO-SFHVURJKSA-N 2 1 303.425 3.314 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccn2-c2ccccc2F)CC1 ZINC001205559811 1091255021 /nfs/dbraw/zinc/25/50/21/1091255021.db2.gz UWVBBUXIBHWZHH-SFHVURJKSA-N 2 1 319.399 3.269 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001205570735 1091260359 /nfs/dbraw/zinc/26/03/59/1091260359.db2.gz NQVBHRKXKSSQQA-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(Oc2ncccn2)c1 ZINC001138623762 1091261848 /nfs/dbraw/zinc/26/18/48/1091261848.db2.gz MSRCMSQKJJCQDK-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(Oc2ncccn2)c1 ZINC001138623762 1091261856 /nfs/dbraw/zinc/26/18/56/1091261856.db2.gz MSRCMSQKJJCQDK-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2-n2cccc2)CC1 ZINC001205578406 1091263687 /nfs/dbraw/zinc/26/36/87/1091263687.db2.gz BATLOUQVUKIKAL-GOSISDBHSA-N 2 1 301.409 3.130 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001205591213 1091270628 /nfs/dbraw/zinc/27/06/28/1091270628.db2.gz HJARZZCJVLJJSD-QGZVFWFLSA-N 2 1 321.371 3.134 20 0 DGADMP C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCOCC2)CC[C@@H]1C[NH3+] ZINC001205602535 1091274216 /nfs/dbraw/zinc/27/42/16/1091274216.db2.gz JHAATJKTMZJVRS-QZTJIDSGSA-N 2 1 316.489 3.042 20 0 DGADMP C[C@H]1CC[N@@H+](CC2CCN(c3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205601930 1091274325 /nfs/dbraw/zinc/27/43/25/1091274325.db2.gz GTDUSTIMEDZDJD-HKUYNNGSSA-N 2 1 315.505 3.210 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OCC)c1 ZINC001205617579 1091281151 /nfs/dbraw/zinc/28/11/51/1091281151.db2.gz LCATZKNUZIOZAP-HOTGVXAUSA-N 2 1 320.477 3.291 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)cc1Cl ZINC001205616863 1091282507 /nfs/dbraw/zinc/28/25/07/1091282507.db2.gz HHGCGVYFGSGJFG-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC[C@@H]1C[NH3+] ZINC001205617461 1091282855 /nfs/dbraw/zinc/28/28/55/1091282855.db2.gz KCGDIPQBCLKKQZ-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1CC ZINC001205618691 1091284142 /nfs/dbraw/zinc/28/41/42/1091284142.db2.gz YGPMWITXMCXPQX-MAUKXSAKSA-N 2 1 304.478 3.455 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(CC)c1O ZINC001205626636 1091285735 /nfs/dbraw/zinc/28/57/35/1091285735.db2.gz HJLUMTHHXSWLRP-KDOFPFPSSA-N 2 1 304.478 3.324 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205628221 1091286218 /nfs/dbraw/zinc/28/62/18/1091286218.db2.gz UBSPHLWWECCXHT-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC[C@H]1C[NH3+] ZINC001205625223 1091286863 /nfs/dbraw/zinc/28/68/63/1091286863.db2.gz ACWHRNPZKQVZAT-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205637524 1091291021 /nfs/dbraw/zinc/29/10/21/1091291021.db2.gz HTMRYRBSQLEXDG-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205637524 1091291031 /nfs/dbraw/zinc/29/10/31/1091291031.db2.gz HTMRYRBSQLEXDG-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccnc3c(F)cccc23)CC[C@H]1C[NH3+] ZINC001205639065 1091292621 /nfs/dbraw/zinc/29/26/21/1091292621.db2.gz VJXOMQOBQAFISY-KGLIPLIRSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C2CCOCC2)CC[C@@H]1C[NH3+] ZINC001205651718 1091295456 /nfs/dbraw/zinc/29/54/56/1091295456.db2.gz IMFVTOFWPOECCO-FUHWJXTLSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C2CCOCC2)CC[C@@H]1C[NH3+] ZINC001205651719 1091295830 /nfs/dbraw/zinc/29/58/30/1091295830.db2.gz IMFVTOFWPOECCO-SJLPKXTDSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C2CCOCC2)CC[C@H]1C[NH3+] ZINC001205651717 1091295846 /nfs/dbraw/zinc/29/58/46/1091295846.db2.gz IMFVTOFWPOECCO-AEFFLSMTSA-N 2 1 316.489 3.387 20 0 DGADMP Cc1cccc(Cl)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001138718572 1091297628 /nfs/dbraw/zinc/29/76/28/1091297628.db2.gz RGXXCYAMDLSLRY-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1C(F)F ZINC001205652832 1091299200 /nfs/dbraw/zinc/29/92/00/1091299200.db2.gz RHKWPDTXWKXHGP-OCCSQVGLSA-N 2 1 312.404 3.440 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205662872 1091303779 /nfs/dbraw/zinc/30/37/79/1091303779.db2.gz FAMSTRSDFAMUDL-PXNSSMCTSA-N 2 1 318.505 3.164 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2[nH]1 ZINC001138739670 1091308196 /nfs/dbraw/zinc/30/81/96/1091308196.db2.gz ZBDZVSFBZVDLCL-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP c1cc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2[nH]1 ZINC001138739670 1091308208 /nfs/dbraw/zinc/30/82/08/1091308208.db2.gz ZBDZVSFBZVDLCL-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205683335 1091313059 /nfs/dbraw/zinc/31/30/59/1091313059.db2.gz YQAYCROJKUUHHM-HXUWFJFHSA-N 2 1 310.441 3.029 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205762792 1091337611 /nfs/dbraw/zinc/33/76/11/1091337611.db2.gz NNVAHFSOBSANQF-AWEZNQCLSA-N 2 1 320.383 3.264 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205762792 1091337621 /nfs/dbraw/zinc/33/76/21/1091337621.db2.gz NNVAHFSOBSANQF-AWEZNQCLSA-N 2 1 320.383 3.264 20 0 DGADMP Cc1cccnc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813801 1091361472 /nfs/dbraw/zinc/36/14/72/1091361472.db2.gz JRSDBTWRPPYUQZ-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813801 1091361484 /nfs/dbraw/zinc/36/14/84/1091361484.db2.gz JRSDBTWRPPYUQZ-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813801 1091361497 /nfs/dbraw/zinc/36/14/97/1091361497.db2.gz JRSDBTWRPPYUQZ-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813801 1091361509 /nfs/dbraw/zinc/36/15/09/1091361509.db2.gz JRSDBTWRPPYUQZ-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205813801 1091361521 /nfs/dbraw/zinc/36/15/21/1091361521.db2.gz JRSDBTWRPPYUQZ-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001138968400 1091396050 /nfs/dbraw/zinc/39/60/50/1091396050.db2.gz UJBDFSYZGDJEDC-MSOLQXFVSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001138968400 1091396060 /nfs/dbraw/zinc/39/60/60/1091396060.db2.gz UJBDFSYZGDJEDC-MSOLQXFVSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001138968400 1091396069 /nfs/dbraw/zinc/39/60/69/1091396069.db2.gz UJBDFSYZGDJEDC-MSOLQXFVSA-N 2 1 302.462 3.105 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205901709 1091399768 /nfs/dbraw/zinc/39/97/68/1091399768.db2.gz FNDXWXZHJDOTHW-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205901709 1091399780 /nfs/dbraw/zinc/39/97/80/1091399780.db2.gz FNDXWXZHJDOTHW-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2nccs2)c1 ZINC001205902477 1091398829 /nfs/dbraw/zinc/39/88/29/1091398829.db2.gz JXHKSSLRGFPAOE-XJKSGUPXSA-N 2 1 301.459 3.369 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901573 1091399818 /nfs/dbraw/zinc/39/98/18/1091399818.db2.gz DGHYPAQWYPJJQM-DOTOQJQBSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902486 1091400568 /nfs/dbraw/zinc/40/05/68/1091400568.db2.gz JXUPDSYNECFKSO-CMPLNLGQSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902486 1091400574 /nfs/dbraw/zinc/40/05/74/1091400574.db2.gz JXUPDSYNECFKSO-CMPLNLGQSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CCCCC1 ZINC001205903865 1091401663 /nfs/dbraw/zinc/40/16/63/1091401663.db2.gz RKNHRPNVICRFBN-DLBZAZTESA-N 2 1 301.478 3.236 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205914111 1091406925 /nfs/dbraw/zinc/40/69/25/1091406925.db2.gz LAFQLGGIXKEFKW-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914066 1091408064 /nfs/dbraw/zinc/40/80/64/1091408064.db2.gz KUDMKYSIJXBYGL-DOMZBBRYSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914066 1091408068 /nfs/dbraw/zinc/40/80/68/1091408068.db2.gz KUDMKYSIJXBYGL-DOMZBBRYSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205914747 1091409519 /nfs/dbraw/zinc/40/95/19/1091409519.db2.gz NEZCBRSWQBQMGN-ZBFHGGJFSA-N 2 1 313.420 3.447 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1C(F)(F)F ZINC001205915206 1091409761 /nfs/dbraw/zinc/40/97/61/1091409761.db2.gz OTVSASBYSAUWRI-AAEUAGOBSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001205916127 1091411582 /nfs/dbraw/zinc/41/15/82/1091411582.db2.gz RYMLTOSSQGNBEC-RHSMWYFYSA-N 2 1 302.462 3.349 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H]3C)cc2c1 ZINC001205917484 1091412170 /nfs/dbraw/zinc/41/21/70/1091412170.db2.gz YYBGIARPYYEHLE-OLZOCXBDSA-N 2 1 304.459 3.469 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916238 1091412323 /nfs/dbraw/zinc/41/23/23/1091412323.db2.gz TYDJMXGFBAOTIP-ZIAGYGMSSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916238 1091412339 /nfs/dbraw/zinc/41/23/39/1091412339.db2.gz TYDJMXGFBAOTIP-ZIAGYGMSSA-N 2 1 301.459 3.369 20 0 DGADMP [NH3+][C@H]1CCCC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001205922856 1091415311 /nfs/dbraw/zinc/41/53/11/1091415311.db2.gz CFDXQUGRVLEDSJ-AWEZNQCLSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@H]1CCCC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001205922856 1091415319 /nfs/dbraw/zinc/41/53/19/1091415319.db2.gz CFDXQUGRVLEDSJ-AWEZNQCLSA-N 2 1 300.368 3.451 20 0 DGADMP F[C@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001205922937 1091416120 /nfs/dbraw/zinc/41/61/20/1091416120.db2.gz DVBHSDNWELNAIK-INIZCTEOSA-N 2 1 301.409 3.069 20 0 DGADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001139055292 1091432048 /nfs/dbraw/zinc/43/20/48/1091432048.db2.gz MTCIGGSWUXYKIK-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@H]1C[N@@H+](CC2(c3ccccc3)CCOCC2)CCC[C@@H]1C[NH3+] ZINC001205984257 1091435408 /nfs/dbraw/zinc/43/54/08/1091435408.db2.gz RRENOMUUXWYMIF-ZWKOTPCHSA-N 2 1 316.489 3.042 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC001205992052 1091439015 /nfs/dbraw/zinc/43/90/15/1091439015.db2.gz CYUIUJPVXNXARS-ZIAGYGMSSA-N 2 1 302.418 3.248 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CCC[C@@H]1C[NH3+] ZINC001205993548 1091440071 /nfs/dbraw/zinc/44/00/71/1091440071.db2.gz IBPZIQMSQQORKA-IAGOWNOFSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)n2)CCC[C@H]1C[NH3+] ZINC001205997040 1091441049 /nfs/dbraw/zinc/44/10/49/1091441049.db2.gz YWMMGDXZESNFPW-GJZGRUSLSA-N 2 1 305.466 3.066 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205997083 1091441824 /nfs/dbraw/zinc/44/18/24/1091441824.db2.gz ZRCVWIIUTLPARB-CHWSQXEVSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3cc(F)ccc3n2)CCC[C@@H]1C[NH3+] ZINC001206003634 1091446056 /nfs/dbraw/zinc/44/60/56/1091446056.db2.gz KNPWPDKIUBZTHI-DZGCQCFKSA-N 2 1 301.409 3.181 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004544 1091446170 /nfs/dbraw/zinc/44/61/70/1091446170.db2.gz SZLGQJUJUBVULA-AAEUAGOBSA-N 2 1 315.383 3.216 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccnc3c(F)cccc23)CCC[C@H]1C[NH3+] ZINC001206014506 1091451949 /nfs/dbraw/zinc/45/19/49/1091451949.db2.gz XBUFRMIJVIHVFV-KGLIPLIRSA-N 2 1 301.409 3.181 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206023669 1091454948 /nfs/dbraw/zinc/45/49/48/1091454948.db2.gz GBXBERVVXFPPRR-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cncc(Cl)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206023651 1091455879 /nfs/dbraw/zinc/45/58/79/1091455879.db2.gz FYVPOYUDQUKIPW-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CCC[C@H]1C[NH3+] ZINC001206024353 1091455967 /nfs/dbraw/zinc/45/59/67/1091455967.db2.gz ISRFWNZJZBODHD-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CCC[C@H]1C[NH3+] ZINC001206028780 1091457214 /nfs/dbraw/zinc/45/72/14/1091457214.db2.gz ZCFPSYALOOGXHP-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CCC[C@H]1C[NH3+] ZINC001206034847 1091460862 /nfs/dbraw/zinc/46/08/62/1091460862.db2.gz BBELZOPALAPXLB-RDJZCZTQSA-N 2 1 319.468 3.233 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206036529 1091464145 /nfs/dbraw/zinc/46/41/45/1091464145.db2.gz KRBPDGNTRMJPJK-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001206036807 1091464175 /nfs/dbraw/zinc/46/41/75/1091464175.db2.gz QNMWKEJCDUVMBT-FUHWJXTLSA-N 2 1 319.493 3.376 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001206049964 1091469272 /nfs/dbraw/zinc/46/92/72/1091469272.db2.gz VZOVXTWQORXQNF-KCXAZCMYSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001206049964 1091469283 /nfs/dbraw/zinc/46/92/83/1091469283.db2.gz VZOVXTWQORXQNF-KCXAZCMYSA-N 2 1 312.379 3.453 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@H]1F ZINC001206197018 1091530004 /nfs/dbraw/zinc/53/00/04/1091530004.db2.gz FZOJVJSFXMWERU-HUUCEWRRSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)CC[C@H]1F ZINC001206197018 1091530011 /nfs/dbraw/zinc/53/00/11/1091530011.db2.gz FZOJVJSFXMWERU-HUUCEWRRSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC[C@@H]1F ZINC001206200571 1091532446 /nfs/dbraw/zinc/53/24/46/1091532446.db2.gz RZDZZXIYKTWHKV-ZWKOTPCHSA-N 2 1 317.383 3.149 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)s2)cc1 ZINC001206277028 1091560442 /nfs/dbraw/zinc/56/04/42/1091560442.db2.gz LXWWNMWVGCJIJU-CQSZACIVSA-N 2 1 316.470 3.465 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)s2)cc1 ZINC001206277028 1091560450 /nfs/dbraw/zinc/56/04/50/1091560450.db2.gz LXWWNMWVGCJIJU-CQSZACIVSA-N 2 1 316.470 3.465 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC001206297415 1091565891 /nfs/dbraw/zinc/56/58/91/1091565891.db2.gz YCKCNDIKOLTCKQ-HNNXBMFYSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001206304251 1091569578 /nfs/dbraw/zinc/56/95/78/1091569578.db2.gz IHUWFQLCRVBEOB-MRXNPFEDSA-N 2 1 306.841 3.119 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC001206311943 1091572911 /nfs/dbraw/zinc/57/29/11/1091572911.db2.gz XGSWEMWBKDFJKC-GFCCVEGCSA-N 2 1 307.385 3.113 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[NH+]1CCCC1 ZINC001206308487 1091570825 /nfs/dbraw/zinc/57/08/25/1091570825.db2.gz DGNNCNIVDPQTEX-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001206305156 1091571250 /nfs/dbraw/zinc/57/12/50/1091571250.db2.gz UYQOHFPGUJTBHL-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1OC ZINC001206304733 1091571824 /nfs/dbraw/zinc/57/18/24/1091571824.db2.gz OSYBOEUCWZPWIM-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC001206311943 1091572900 /nfs/dbraw/zinc/57/29/00/1091572900.db2.gz XGSWEMWBKDFJKC-GFCCVEGCSA-N 2 1 307.385 3.113 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001206311655 1091573649 /nfs/dbraw/zinc/57/36/49/1091573649.db2.gz SBLHXLZZFIWYQR-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c2c1 ZINC001206311878 1091574038 /nfs/dbraw/zinc/57/40/38/1091574038.db2.gz WJTBXSFKRVCYLH-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001206311606 1091574134 /nfs/dbraw/zinc/57/41/34/1091574134.db2.gz RFYVACPFZUHXMC-LJQANCHMSA-N 2 1 316.493 3.023 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318035 1091577390 /nfs/dbraw/zinc/57/73/90/1091577390.db2.gz LRFXRHOXOXONMQ-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(CC)c1O ZINC001206318575 1091577659 /nfs/dbraw/zinc/57/76/59/1091577659.db2.gz RLULHQPKTUJPHV-LJQANCHMSA-N 2 1 304.478 3.468 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206344156 1091587921 /nfs/dbraw/zinc/58/79/21/1091587921.db2.gz NOGREFKNAICSPG-SFHVURJKSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206344156 1091587932 /nfs/dbraw/zinc/58/79/32/1091587932.db2.gz NOGREFKNAICSPG-SFHVURJKSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001206351648 1091591187 /nfs/dbraw/zinc/59/11/87/1091591187.db2.gz HDCPMSAJQFUPBU-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001206351648 1091591198 /nfs/dbraw/zinc/59/11/98/1091591198.db2.gz HDCPMSAJQFUPBU-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001206363169 1091600516 /nfs/dbraw/zinc/60/05/16/1091600516.db2.gz VMAZYFPFQZMHSR-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001206363169 1091600521 /nfs/dbraw/zinc/60/05/21/1091600521.db2.gz VMAZYFPFQZMHSR-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC001206410127 1091620963 /nfs/dbraw/zinc/62/09/63/1091620963.db2.gz OXBGUMFMXRLQLP-FSSWDIPSSA-N 2 1 320.480 3.479 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2cccnc2c1 ZINC001139742770 1091661282 /nfs/dbraw/zinc/66/12/82/1091661282.db2.gz JQHNTTLZJBVNPV-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2cccnc2c1 ZINC001139742770 1091661288 /nfs/dbraw/zinc/66/12/88/1091661288.db2.gz JQHNTTLZJBVNPV-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnc2cccnc2c1 ZINC001139742770 1091661292 /nfs/dbraw/zinc/66/12/92/1091661292.db2.gz JQHNTTLZJBVNPV-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnc2cccnc2c1 ZINC001139742770 1091661295 /nfs/dbraw/zinc/66/12/95/1091661295.db2.gz JQHNTTLZJBVNPV-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001206548825 1091665467 /nfs/dbraw/zinc/66/54/67/1091665467.db2.gz JICQCZUQQMWIAL-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001206548825 1091665469 /nfs/dbraw/zinc/66/54/69/1091665469.db2.gz JICQCZUQQMWIAL-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(OCC)c1 ZINC001206548864 1091665598 /nfs/dbraw/zinc/66/55/98/1091665598.db2.gz KCIGVNGPJNURLY-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(OCC)c1 ZINC001206548864 1091665601 /nfs/dbraw/zinc/66/56/01/1091665601.db2.gz KCIGVNGPJNURLY-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCC(C)(C)C[NH+](C)C)nc1 ZINC001168766463 1091673486 /nfs/dbraw/zinc/67/34/86/1091673486.db2.gz LIAXTGCKFODATA-INIZCTEOSA-N 2 1 318.509 3.456 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001206575726 1091674732 /nfs/dbraw/zinc/67/47/32/1091674732.db2.gz XDNASTFVRQZOBO-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001206575758 1091674956 /nfs/dbraw/zinc/67/49/56/1091674956.db2.gz YBPHTBIEOWEXSM-IBGZPJMESA-N 2 1 301.478 3.238 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591341 1091681633 /nfs/dbraw/zinc/68/16/33/1091681633.db2.gz RVBDBWIFOKNNAN-KRWDZBQOSA-N 2 1 305.466 3.221 20 0 DGADMP CC(C)Oc1ncccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591341 1091681637 /nfs/dbraw/zinc/68/16/37/1091681637.db2.gz RVBDBWIFOKNNAN-KRWDZBQOSA-N 2 1 305.466 3.221 20 0 DGADMP COc1c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc(F)c1F ZINC001206599719 1091684173 /nfs/dbraw/zinc/68/41/73/1091684173.db2.gz WBOXBILIVUBKQU-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP COc1c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc(F)c1F ZINC001206599719 1091684178 /nfs/dbraw/zinc/68/41/78/1091684178.db2.gz WBOXBILIVUBKQU-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001206616959 1091691364 /nfs/dbraw/zinc/69/13/64/1091691364.db2.gz VHLXEFLFPZPADA-KRWDZBQOSA-N 2 1 301.478 3.238 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2O1 ZINC001206624318 1091693354 /nfs/dbraw/zinc/69/33/54/1091693354.db2.gz UEPHVZHFSTUVSP-MRXNPFEDSA-N 2 1 302.462 3.351 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC001206701326 1091707214 /nfs/dbraw/zinc/70/72/14/1091707214.db2.gz VPBFLUDJKPCEEQ-LJQANCHMSA-N 2 1 302.462 3.154 20 0 DGADMP CC[N@@H+]1CCN(Cc2ccccc2-n2cc[nH+]c2C)C(C)(C)C1 ZINC001140029680 1091743032 /nfs/dbraw/zinc/74/30/32/1091743032.db2.gz PUEMLRJKYGDNHG-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CC[N@H+]1CCN(Cc2ccccc2-n2cc[nH+]c2C)C(C)(C)C1 ZINC001140029680 1091743037 /nfs/dbraw/zinc/74/30/37/1091743037.db2.gz PUEMLRJKYGDNHG-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CCN(CC[NH+]1CCCC1)Cc1ccccc1-n1cc[nH+]c1C ZINC001140028270 1091744655 /nfs/dbraw/zinc/74/46/55/1091744655.db2.gz PYRGBRKLEMQGGG-UHFFFAOYSA-N 2 1 312.461 3.098 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)n21 ZINC001206807268 1091749056 /nfs/dbraw/zinc/74/90/56/1091749056.db2.gz ICLYFAFVBDKLFS-KGLIPLIRSA-N 2 1 318.490 3.006 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)n21 ZINC001206807268 1091749062 /nfs/dbraw/zinc/74/90/62/1091749062.db2.gz ICLYFAFVBDKLFS-KGLIPLIRSA-N 2 1 318.490 3.006 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(C[C@@H]1CCC[NH+](C)C1)C2 ZINC001276496440 1091757821 /nfs/dbraw/zinc/75/78/21/1091757821.db2.gz BZVXAUMTSXCUTL-RBUKOAKNSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CCC12CN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001276496440 1091757828 /nfs/dbraw/zinc/75/78/28/1091757828.db2.gz BZVXAUMTSXCUTL-RBUKOAKNSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CCC12CN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001276496440 1091757836 /nfs/dbraw/zinc/75/78/36/1091757836.db2.gz BZVXAUMTSXCUTL-RBUKOAKNSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497214 1091760194 /nfs/dbraw/zinc/76/01/94/1091760194.db2.gz GKOQFIVEDTXIDA-YZGWKJHDSA-N 3 1 319.537 3.295 20 0 DGADMP C[N@@H+]1CCC[C@H](CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497214 1091760206 /nfs/dbraw/zinc/76/02/06/1091760206.db2.gz GKOQFIVEDTXIDA-YZGWKJHDSA-N 2 1 319.537 3.295 20 0 DGADMP C[N@H+]1CCC[C@H](CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497214 1091760213 /nfs/dbraw/zinc/76/02/13/1091760213.db2.gz GKOQFIVEDTXIDA-YZGWKJHDSA-N 2 1 319.537 3.295 20 0 DGADMP CN1CCC[C@H](C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497214 1091760222 /nfs/dbraw/zinc/76/02/22/1091760222.db2.gz GKOQFIVEDTXIDA-YZGWKJHDSA-N 2 1 319.537 3.295 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC ZINC001085389412 1091762376 /nfs/dbraw/zinc/76/23/76/1091762376.db2.gz HWBXFJSOYNCJBR-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@@H+](Cc1ccncc1[O-])C1CC[NH+](C2CCCCC2)CC1 ZINC001140281815 1091814825 /nfs/dbraw/zinc/81/48/25/1091814825.db2.gz ILNBVTDLLMDRKW-UHFFFAOYSA-N 2 1 303.450 3.016 20 0 DGADMP CN(Cc1ccncc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001140281815 1091814831 /nfs/dbraw/zinc/81/48/31/1091814831.db2.gz ILNBVTDLLMDRKW-UHFFFAOYSA-N 2 1 303.450 3.016 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140318951 1091822989 /nfs/dbraw/zinc/82/29/89/1091822989.db2.gz QTSJQQDRGWRFEZ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140318951 1091822999 /nfs/dbraw/zinc/82/29/99/1091822999.db2.gz QTSJQQDRGWRFEZ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140318951 1091823009 /nfs/dbraw/zinc/82/30/09/1091823009.db2.gz QTSJQQDRGWRFEZ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[C@H](CC[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1)CC(C)(C)C ZINC001276503725 1091826073 /nfs/dbraw/zinc/82/60/73/1091826073.db2.gz JKXFWVGGPANTQM-GOSISDBHSA-N 2 1 323.569 3.408 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140335876 1091831688 /nfs/dbraw/zinc/83/16/88/1091831688.db2.gz AJWDANSHUYSRJA-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140335876 1091831694 /nfs/dbraw/zinc/83/16/94/1091831694.db2.gz AJWDANSHUYSRJA-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140335876 1091831699 /nfs/dbraw/zinc/83/16/99/1091831699.db2.gz AJWDANSHUYSRJA-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140340555 1091834668 /nfs/dbraw/zinc/83/46/68/1091834668.db2.gz ZZTBSYFUVJHOEO-IRXDYDNUSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001207186951 1091879405 /nfs/dbraw/zinc/87/94/05/1091879405.db2.gz YQSUGHZSXBWVNE-LJQANCHMSA-N 3 1 307.526 3.105 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001207186951 1091879410 /nfs/dbraw/zinc/87/94/10/1091879410.db2.gz YQSUGHZSXBWVNE-LJQANCHMSA-N 3 1 307.526 3.105 20 0 DGADMP Clc1ccc([C@H]2C[C@H]2C[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193127 1091882532 /nfs/dbraw/zinc/88/25/32/1091882532.db2.gz RSBGUBVBGOAYPK-GOEBONIOSA-N 2 1 301.821 3.198 20 0 DGADMP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193127 1091882538 /nfs/dbraw/zinc/88/25/38/1091882538.db2.gz RSBGUBVBGOAYPK-GOEBONIOSA-N 2 1 301.821 3.198 20 0 DGADMP Cc1ccc(OC2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001207286317 1091912834 /nfs/dbraw/zinc/91/28/34/1091912834.db2.gz QWWNIVQGMFISNQ-UHFFFAOYSA-N 2 1 304.478 3.426 20 0 DGADMP CCCO[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291287 1091914717 /nfs/dbraw/zinc/91/47/17/1091914717.db2.gz MYIQBBRZCMWMAD-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001207335046 1091929128 /nfs/dbraw/zinc/92/91/28/1091929128.db2.gz WOZCPVWYCQPVJJ-IAGOWNOFSA-N 2 1 323.440 3.158 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001207398380 1091953328 /nfs/dbraw/zinc/95/33/28/1091953328.db2.gz LRIRWMJHVVRVLR-GOSISDBHSA-N 2 1 320.502 3.127 20 0 DGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705779 1091966762 /nfs/dbraw/zinc/96/67/62/1091966762.db2.gz YOMODJFLOBJQIE-UHFFFAOYSA-N 2 1 324.472 3.286 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207470898 1091979125 /nfs/dbraw/zinc/97/91/25/1091979125.db2.gz WPNUYIUIIBODBP-QGZVFWFLSA-N 2 1 320.452 3.149 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207470898 1091979132 /nfs/dbraw/zinc/97/91/32/1091979132.db2.gz WPNUYIUIIBODBP-QGZVFWFLSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001207483211 1091983490 /nfs/dbraw/zinc/98/34/90/1091983490.db2.gz DZFRWPNQSNSBKG-SFHVURJKSA-N 2 1 306.425 3.011 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806116 1092009552 /nfs/dbraw/zinc/00/95/52/1092009552.db2.gz BIWPMHAEFAFABX-INIZCTEOSA-N 2 1 322.412 3.310 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806116 1092009563 /nfs/dbraw/zinc/00/95/63/1092009563.db2.gz BIWPMHAEFAFABX-INIZCTEOSA-N 2 1 322.412 3.310 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140806153 1092010079 /nfs/dbraw/zinc/01/00/79/1092010079.db2.gz BTMYERDHRCRDGU-CALCHBBNSA-N 2 1 318.424 3.131 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140806153 1092010090 /nfs/dbraw/zinc/01/00/90/1092010090.db2.gz BTMYERDHRCRDGU-CALCHBBNSA-N 2 1 318.424 3.131 20 0 DGADMP C[C@H]1CN(Cc2c[nH]c3cc[nH+]cc23)CC[N@@H+]1C1CCCCC1 ZINC001140806508 1092012166 /nfs/dbraw/zinc/01/21/66/1092012166.db2.gz LEBVAULQTDRWQE-HNNXBMFYSA-N 2 1 312.461 3.402 20 0 DGADMP C[C@H]1CN(Cc2c[nH]c3cc[nH+]cc23)CC[N@H+]1C1CCCCC1 ZINC001140806508 1092012176 /nfs/dbraw/zinc/01/21/76/1092012176.db2.gz LEBVAULQTDRWQE-HNNXBMFYSA-N 2 1 312.461 3.402 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1N ZINC001140898718 1092054107 /nfs/dbraw/zinc/05/41/07/1092054107.db2.gz XYWVGYJSKSAGAT-IRXDYDNUSA-N 2 1 317.477 3.116 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1N ZINC001140898718 1092054114 /nfs/dbraw/zinc/05/41/14/1092054114.db2.gz XYWVGYJSKSAGAT-IRXDYDNUSA-N 2 1 317.477 3.116 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1N ZINC001140898718 1092054122 /nfs/dbraw/zinc/05/41/22/1092054122.db2.gz XYWVGYJSKSAGAT-IRXDYDNUSA-N 2 1 317.477 3.116 20 0 DGADMP C[C@H]1CCCCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973945 1092087850 /nfs/dbraw/zinc/08/78/50/1092087850.db2.gz RFVPTTFRFYYECG-KRWDZBQOSA-N 2 1 301.478 3.203 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]n1 ZINC001203083359 1092088567 /nfs/dbraw/zinc/08/85/67/1092088567.db2.gz JQXXKWYNZIOFRP-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]n1 ZINC001203083359 1092088576 /nfs/dbraw/zinc/08/85/76/1092088576.db2.gz JQXXKWYNZIOFRP-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]n1 ZINC001203083359 1092088585 /nfs/dbraw/zinc/08/85/85/1092088585.db2.gz JQXXKWYNZIOFRP-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083359 1092088595 /nfs/dbraw/zinc/08/85/95/1092088595.db2.gz JQXXKWYNZIOFRP-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083359 1092088603 /nfs/dbraw/zinc/08/86/03/1092088603.db2.gz JQXXKWYNZIOFRP-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083359 1092088609 /nfs/dbraw/zinc/08/86/09/1092088609.db2.gz JQXXKWYNZIOFRP-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083359 1092088615 /nfs/dbraw/zinc/08/86/15/1092088615.db2.gz JQXXKWYNZIOFRP-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001140970504 1092089560 /nfs/dbraw/zinc/08/95/60/1092089560.db2.gz KZMCOBQNARGYHE-LJQANCHMSA-N 2 1 319.468 3.153 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]n1 ZINC001203083360 1092089650 /nfs/dbraw/zinc/08/96/50/1092089650.db2.gz JQXXKWYNZIOFRP-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]n1 ZINC001203083360 1092089659 /nfs/dbraw/zinc/08/96/59/1092089659.db2.gz JQXXKWYNZIOFRP-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]n1 ZINC001203083360 1092089668 /nfs/dbraw/zinc/08/96/68/1092089668.db2.gz JQXXKWYNZIOFRP-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083360 1092089679 /nfs/dbraw/zinc/08/96/79/1092089679.db2.gz JQXXKWYNZIOFRP-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083360 1092089689 /nfs/dbraw/zinc/08/96/89/1092089689.db2.gz JQXXKWYNZIOFRP-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083360 1092089698 /nfs/dbraw/zinc/08/96/98/1092089698.db2.gz JQXXKWYNZIOFRP-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083360 1092089710 /nfs/dbraw/zinc/08/97/10/1092089710.db2.gz JQXXKWYNZIOFRP-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC001203082048 1092089811 /nfs/dbraw/zinc/08/98/11/1092089811.db2.gz JVKUDEOZFPNOSI-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncco2)CC3)c1 ZINC001141003789 1092102763 /nfs/dbraw/zinc/10/27/63/1092102763.db2.gz JPBGKOLAFBVQOR-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncco2)CC3)c1 ZINC001141003789 1092102774 /nfs/dbraw/zinc/10/27/74/1092102774.db2.gz JPBGKOLAFBVQOR-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP Cc1ncoc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001141053863 1092122424 /nfs/dbraw/zinc/12/24/24/1092122424.db2.gz KICCARWVQWTENN-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@H]2CCCO2)C3)cc1 ZINC001207894633 1092130920 /nfs/dbraw/zinc/13/09/20/1092130920.db2.gz RYGGDURSKVYCER-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCO2)C3)cc1 ZINC001207894633 1092130926 /nfs/dbraw/zinc/13/09/26/1092130926.db2.gz RYGGDURSKVYCER-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCO2)C3)cc1 ZINC001207894633 1092130928 /nfs/dbraw/zinc/13/09/28/1092130928.db2.gz RYGGDURSKVYCER-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1)c1ccccc1 ZINC001207904219 1092135053 /nfs/dbraw/zinc/13/50/53/1092135053.db2.gz WCSBKFVZXWHRMQ-DZFGPLHGSA-N 2 1 321.468 3.249 20 0 DGADMP Cc1ccc(CCC[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)o1 ZINC001207944542 1092151539 /nfs/dbraw/zinc/15/15/39/1092151539.db2.gz OVKWJZCWNRKUGG-UHFFFAOYSA-N 2 1 313.445 3.463 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1(C)CC[NH+](C)CC1 ZINC001208110200 1092198675 /nfs/dbraw/zinc/19/86/75/1092198675.db2.gz XIPZWRGYWPNUHN-ROUUACIJSA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110200 1092198679 /nfs/dbraw/zinc/19/86/79/1092198679.db2.gz XIPZWRGYWPNUHN-ROUUACIJSA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110200 1092198682 /nfs/dbraw/zinc/19/86/82/1092198682.db2.gz XIPZWRGYWPNUHN-ROUUACIJSA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001208107623 1092198764 /nfs/dbraw/zinc/19/87/64/1092198764.db2.gz QRVBWRZSFFWRGW-CEXWTWQISA-N 2 1 320.521 3.245 20 0 DGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC1 ZINC001208168682 1092236980 /nfs/dbraw/zinc/23/69/80/1092236980.db2.gz IUOQKQMAIZNJKZ-JKSUJKDBSA-N 2 1 305.466 3.109 20 0 DGADMP C[NH+](C)CC1(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC001208189880 1092253055 /nfs/dbraw/zinc/25/30/55/1092253055.db2.gz BTWBKELMASPLFI-IBGZPJMESA-N 2 1 315.505 3.097 20 0 DGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001208221102 1092276202 /nfs/dbraw/zinc/27/62/02/1092276202.db2.gz KWNQMJGQFLCBTH-INIZCTEOSA-N 2 1 318.461 3.012 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)[nH]1 ZINC001276566692 1092289712 /nfs/dbraw/zinc/28/97/12/1092289712.db2.gz VVDABOZSUJGPDF-UHFFFAOYSA-N 2 1 324.472 3.006 20 0 DGADMP Cc1nc(C)c(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)[nH]1 ZINC001276566692 1092289723 /nfs/dbraw/zinc/28/97/23/1092289723.db2.gz VVDABOZSUJGPDF-UHFFFAOYSA-N 2 1 324.472 3.006 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001208599723 1092420064 /nfs/dbraw/zinc/42/00/64/1092420064.db2.gz AIDAUAQTTQYOEI-INIZCTEOSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001208598974 1092420345 /nfs/dbraw/zinc/42/03/45/1092420345.db2.gz GXCKQDMKUJOTPV-AABGKKOBSA-N 2 1 320.521 3.245 20 0 DGADMP COc1cccc(C2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208616042 1092431071 /nfs/dbraw/zinc/43/10/71/1092431071.db2.gz JKXDZVUSBRGFNG-INIZCTEOSA-N 2 1 302.462 3.216 20 0 DGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208760263 1092493997 /nfs/dbraw/zinc/49/39/97/1092493997.db2.gz YLVPKQVUZMJZOH-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCCC3)c1)C2 ZINC001169095288 1092525694 /nfs/dbraw/zinc/52/56/94/1092525694.db2.gz OQSQATIIGJCCFY-REPLKXPHSA-N 2 1 313.489 3.392 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001169099922 1092530239 /nfs/dbraw/zinc/53/02/39/1092530239.db2.gz WVJGURGWYWAPRF-FNLKRUPLSA-N 3 1 319.537 3.246 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001169099922 1092530256 /nfs/dbraw/zinc/53/02/56/1092530256.db2.gz WVJGURGWYWAPRF-FNLKRUPLSA-N 2 1 319.537 3.246 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116495 1092538929 /nfs/dbraw/zinc/53/89/29/1092538929.db2.gz QQQMXCJVXWGMIO-BGRQEXKUSA-N 2 1 307.526 3.230 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116495 1092538940 /nfs/dbraw/zinc/53/89/40/1092538940.db2.gz QQQMXCJVXWGMIO-BGRQEXKUSA-N 3 1 307.526 3.230 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116495 1092538954 /nfs/dbraw/zinc/53/89/54/1092538954.db2.gz QQQMXCJVXWGMIO-BGRQEXKUSA-N 3 1 307.526 3.230 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116495 1092538961 /nfs/dbraw/zinc/53/89/61/1092538961.db2.gz QQQMXCJVXWGMIO-BGRQEXKUSA-N 3 1 307.526 3.230 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116495 1092538973 /nfs/dbraw/zinc/53/89/73/1092538973.db2.gz QQQMXCJVXWGMIO-BGRQEXKUSA-N 3 1 307.526 3.230 20 0 DGADMP Oc1cccnc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276594180 1092543457 /nfs/dbraw/zinc/54/34/57/1092543457.db2.gz SFMOAGQVZSJKMX-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC001169124727 1092545573 /nfs/dbraw/zinc/54/55/73/1092545573.db2.gz SOXDPXIOUPZJTF-OPVJXMOQSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC001169124727 1092545586 /nfs/dbraw/zinc/54/55/86/1092545586.db2.gz SOXDPXIOUPZJTF-OPVJXMOQSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169109018 1092554567 /nfs/dbraw/zinc/55/45/67/1092554567.db2.gz GDWLVJVGOKIDCR-ACDBMABISA-N 2 1 319.537 3.246 20 0 DGADMP CC1(C)C[C@@H](Nc2cc[nH+]c(N3CCCC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169142669 1092558587 /nfs/dbraw/zinc/55/85/87/1092558587.db2.gz NMRNNBVAKSEEOI-KDOFPFPSSA-N 2 1 317.481 3.032 20 0 DGADMP CC1(C)C[C@@H](Nc2cc[nH+]c(N3CCCC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169142671 1092558783 /nfs/dbraw/zinc/55/87/83/1092558783.db2.gz NMRNNBVAKSEEOI-RDTXWAMCSA-N 2 1 317.481 3.032 20 0 DGADMP COc1ccccc1C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146598 1092560905 /nfs/dbraw/zinc/56/09/05/1092560905.db2.gz QNSLFANSBQLRMK-BCDXTJNWSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146604 1092561804 /nfs/dbraw/zinc/56/18/04/1092561804.db2.gz QNSLFANSBQLRMK-PIIMJCKOSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3cccc(O)c3)CC1)C2 ZINC001169154704 1092567661 /nfs/dbraw/zinc/56/76/61/1092567661.db2.gz SMLWEAVHIZZZGD-BCDXTJNWSA-N 2 1 300.446 3.197 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[NH2+]CC3)C2 ZINC001169155064 1092568657 /nfs/dbraw/zinc/56/86/57/1092568657.db2.gz WZEVDIZFHYFRFJ-FICVDOATSA-N 2 1 313.420 3.224 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1Cc1ccc(F)cc1)C2 ZINC001169160713 1092571770 /nfs/dbraw/zinc/57/17/70/1092571770.db2.gz LDSAGFKXRJDLTG-FCGDIQPGSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)C2 ZINC001169160713 1092571781 /nfs/dbraw/zinc/57/17/81/1092571781.db2.gz LDSAGFKXRJDLTG-FCGDIQPGSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)C2 ZINC001169160713 1092571795 /nfs/dbraw/zinc/57/17/95/1092571795.db2.gz LDSAGFKXRJDLTG-FCGDIQPGSA-N 2 1 302.437 3.458 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnc3[nH]ccc32)CC1 ZINC001142881020 1092576463 /nfs/dbraw/zinc/57/64/63/1092576463.db2.gz MCCLSEQUVBKOLK-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004038 1092578860 /nfs/dbraw/zinc/57/88/60/1092578860.db2.gz PCTDQAHXXXIPGL-BBRMVZONSA-N 2 1 306.498 3.062 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC4(COC4)C3)C2)cc1 ZINC001208930547 1092592897 /nfs/dbraw/zinc/59/28/97/1092592897.db2.gz BVCPZAAYVUYFFN-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC4(COC4)C3)C2)cc1 ZINC001208930547 1092592906 /nfs/dbraw/zinc/59/29/06/1092592906.db2.gz BVCPZAAYVUYFFN-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC4(COC4)C3)C2)cc1 ZINC001208930547 1092592914 /nfs/dbraw/zinc/59/29/14/1092592914.db2.gz BVCPZAAYVUYFFN-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP C[C@@]1(O)CCCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931122 1092593448 /nfs/dbraw/zinc/59/34/48/1092593448.db2.gz HRBOLHBNVQZGRY-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931122 1092593453 /nfs/dbraw/zinc/59/34/53/1092593453.db2.gz HRBOLHBNVQZGRY-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931122 1092593458 /nfs/dbraw/zinc/59/34/58/1092593458.db2.gz HRBOLHBNVQZGRY-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932029 1092594748 /nfs/dbraw/zinc/59/47/48/1092594748.db2.gz NDWNMNOXTYNVPT-VAMGGRTRSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932029 1092594756 /nfs/dbraw/zinc/59/47/56/1092594756.db2.gz NDWNMNOXTYNVPT-VAMGGRTRSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932029 1092594762 /nfs/dbraw/zinc/59/47/62/1092594762.db2.gz NDWNMNOXTYNVPT-VAMGGRTRSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](O)CC1 ZINC001208932029 1092594771 /nfs/dbraw/zinc/59/47/71/1092594771.db2.gz NDWNMNOXTYNVPT-VAMGGRTRSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938400 1092600491 /nfs/dbraw/zinc/60/04/91/1092600491.db2.gz BXZTVVMKMNQBLM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938400 1092600496 /nfs/dbraw/zinc/60/04/96/1092600496.db2.gz BXZTVVMKMNQBLM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938400 1092600501 /nfs/dbraw/zinc/60/05/01/1092600501.db2.gz BXZTVVMKMNQBLM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938400 1092600507 /nfs/dbraw/zinc/60/05/07/1092600507.db2.gz BXZTVVMKMNQBLM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940207 1092604065 /nfs/dbraw/zinc/60/40/65/1092604065.db2.gz BATBLINJJOKZGF-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940207 1092604067 /nfs/dbraw/zinc/60/40/67/1092604067.db2.gz BATBLINJJOKZGF-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940207 1092604069 /nfs/dbraw/zinc/60/40/69/1092604069.db2.gz BATBLINJJOKZGF-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC001208947775 1092605843 /nfs/dbraw/zinc/60/58/43/1092605843.db2.gz CWWDHAUUGQGRBI-CTNGQTDRSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC001208947775 1092605847 /nfs/dbraw/zinc/60/58/47/1092605847.db2.gz CWWDHAUUGQGRBI-CTNGQTDRSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945606 1092606233 /nfs/dbraw/zinc/60/62/33/1092606233.db2.gz RXCOQYFNLAOEAT-QUCCMNQESA-N 2 1 314.473 3.009 20 0 DGADMP COCC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947829 1092606661 /nfs/dbraw/zinc/60/66/61/1092606661.db2.gz DIPUTHSRGZLJHG-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947829 1092606664 /nfs/dbraw/zinc/60/66/64/1092606664.db2.gz DIPUTHSRGZLJHG-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947829 1092606668 /nfs/dbraw/zinc/60/66/68/1092606668.db2.gz DIPUTHSRGZLJHG-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(c3ccccc3OC)CC2)CC1 ZINC001169265044 1092607205 /nfs/dbraw/zinc/60/72/05/1092607205.db2.gz LNTDRRITDZOKCW-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP FC(F)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948771 1092607547 /nfs/dbraw/zinc/60/75/47/1092607547.db2.gz IHDNSWSEMOTKLS-DLBZAZTESA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948771 1092607551 /nfs/dbraw/zinc/60/75/51/1092607551.db2.gz IHDNSWSEMOTKLS-DLBZAZTESA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948771 1092607559 /nfs/dbraw/zinc/60/75/59/1092607559.db2.gz IHDNSWSEMOTKLS-DLBZAZTESA-N 2 1 308.416 3.486 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208952563 1092607671 /nfs/dbraw/zinc/60/76/71/1092607671.db2.gz KSYCBQNLKCRWMV-RTBURBONSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208952563 1092607677 /nfs/dbraw/zinc/60/76/77/1092607677.db2.gz KSYCBQNLKCRWMV-RTBURBONSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208952563 1092607685 /nfs/dbraw/zinc/60/76/85/1092607685.db2.gz KSYCBQNLKCRWMV-RTBURBONSA-N 2 1 302.462 3.008 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951685 1092608153 /nfs/dbraw/zinc/60/81/53/1092608153.db2.gz AZMGGXLTOTVRJJ-GURQWTFNSA-N 2 1 314.473 3.150 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951685 1092608156 /nfs/dbraw/zinc/60/81/56/1092608156.db2.gz AZMGGXLTOTVRJJ-GURQWTFNSA-N 2 1 314.473 3.150 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951685 1092608161 /nfs/dbraw/zinc/60/81/61/1092608161.db2.gz AZMGGXLTOTVRJJ-GURQWTFNSA-N 2 1 314.473 3.150 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951685 1092608163 /nfs/dbraw/zinc/60/81/63/1092608163.db2.gz AZMGGXLTOTVRJJ-GURQWTFNSA-N 2 1 314.473 3.150 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001169265593 1092609446 /nfs/dbraw/zinc/60/94/46/1092609446.db2.gz YSEQATYOBREIBC-KRWDZBQOSA-N 2 1 302.462 3.359 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001169265593 1092609452 /nfs/dbraw/zinc/60/94/52/1092609452.db2.gz YSEQATYOBREIBC-KRWDZBQOSA-N 2 1 302.462 3.359 20 0 DGADMP CCN(CC[NH+](CC)CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949728 1092609705 /nfs/dbraw/zinc/60/97/05/1092609705.db2.gz OJVZSZQPJOBKBO-FQEVSTJZSA-N 2 1 317.521 3.172 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001169245438 1092614028 /nfs/dbraw/zinc/61/40/28/1092614028.db2.gz DJDMKVKOTLLATK-UHFFFAOYSA-N 2 1 315.383 3.059 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001169245438 1092614031 /nfs/dbraw/zinc/61/40/31/1092614031.db2.gz DJDMKVKOTLLATK-UHFFFAOYSA-N 2 1 315.383 3.059 20 0 DGADMP CC[NH+]1CCC(N2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001169247053 1092614764 /nfs/dbraw/zinc/61/47/64/1092614764.db2.gz XLLHLQLEDFEHJB-UHFFFAOYSA-N 2 1 318.436 3.205 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001169254366 1092619450 /nfs/dbraw/zinc/61/94/50/1092619450.db2.gz DCHLAPYIGGFECA-UHFFFAOYSA-N 2 1 302.462 3.262 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001169258245 1092620771 /nfs/dbraw/zinc/62/07/71/1092620771.db2.gz HONGKBFWMAIIFH-GOSISDBHSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001169258245 1092620776 /nfs/dbraw/zinc/62/07/76/1092620776.db2.gz HONGKBFWMAIIFH-GOSISDBHSA-N 2 1 302.462 3.323 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CC[C@H](C(=O)OCC)CC1 ZINC001209013578 1092624669 /nfs/dbraw/zinc/62/46/69/1092624669.db2.gz VRLXZKRUSZIXFS-QAQDUYKDSA-N 2 1 312.498 3.020 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209075078 1092643142 /nfs/dbraw/zinc/64/31/42/1092643142.db2.gz NUHOAORCJJJQFW-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP c1cncc(CCC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001209175499 1092681203 /nfs/dbraw/zinc/68/12/03/1092681203.db2.gz AHXVEAUIUIFDBK-LJQANCHMSA-N 2 1 301.478 3.355 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCCc1ccncc1 ZINC001209189504 1092687715 /nfs/dbraw/zinc/68/77/15/1092687715.db2.gz YGHNSLCGVUTRKH-RBUKOAKNSA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC001209189504 1092687725 /nfs/dbraw/zinc/68/77/25/1092687725.db2.gz YGHNSLCGVUTRKH-RBUKOAKNSA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC001209189504 1092687728 /nfs/dbraw/zinc/68/77/28/1092687728.db2.gz YGHNSLCGVUTRKH-RBUKOAKNSA-N 2 1 301.478 3.353 20 0 DGADMP COCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001209211683 1092697347 /nfs/dbraw/zinc/69/73/47/1092697347.db2.gz VIRMHMKVGNYBKB-UHFFFAOYSA-N 2 1 316.489 3.319 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206632506 1092745542 /nfs/dbraw/zinc/74/55/42/1092745542.db2.gz LZLQCBJNLNEPKC-GFCCVEGCSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206632506 1092745545 /nfs/dbraw/zinc/74/55/45/1092745545.db2.gz LZLQCBJNLNEPKC-GFCCVEGCSA-N 2 1 320.330 3.285 20 0 DGADMP COC1CCC(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)CC1 ZINC001209401419 1092757714 /nfs/dbraw/zinc/75/77/14/1092757714.db2.gz PXKYTGKYZVUOIT-JCYILVPMSA-N 2 1 304.434 3.048 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209412496 1092763774 /nfs/dbraw/zinc/76/37/74/1092763774.db2.gz GOCIRPSJQXYZSI-HZPDHXFCSA-N 2 1 320.502 3.071 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449267 1092779161 /nfs/dbraw/zinc/77/91/61/1092779161.db2.gz VYLCJQCSPCDOHH-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449267 1092779171 /nfs/dbraw/zinc/77/91/71/1092779171.db2.gz VYLCJQCSPCDOHH-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209560969 1092823420 /nfs/dbraw/zinc/82/34/20/1092823420.db2.gz KJIURNXVKAYHFK-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001209570966 1092832005 /nfs/dbraw/zinc/83/20/05/1092832005.db2.gz FUFXHJXHYLICBI-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001206639072 1092869454 /nfs/dbraw/zinc/86/94/54/1092869454.db2.gz BDFZYQGHGQZOAG-HNNXBMFYSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2nc3ccccc3cc2Cl)C1 ZINC001206640913 1092890334 /nfs/dbraw/zinc/89/03/34/1092890334.db2.gz OVEJMAHGMOMSLL-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2nc3ccccc3cc2Cl)C1 ZINC001206640913 1092890344 /nfs/dbraw/zinc/89/03/44/1092890344.db2.gz OVEJMAHGMOMSLL-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725606 1092892907 /nfs/dbraw/zinc/89/29/07/1092892907.db2.gz PUZNZVQJQVGGNB-KRWDZBQOSA-N 2 1 303.837 3.349 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001209733648 1092894769 /nfs/dbraw/zinc/89/47/69/1092894769.db2.gz QOXZZOJVCJLPHO-LJQANCHMSA-N 2 1 311.404 3.113 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001209733648 1092894772 /nfs/dbraw/zinc/89/47/72/1092894772.db2.gz QOXZZOJVCJLPHO-LJQANCHMSA-N 2 1 311.404 3.113 20 0 DGADMP C[C@@H]1OC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)c2ccccc21 ZINC001209733408 1092895579 /nfs/dbraw/zinc/89/55/79/1092895579.db2.gz LLLLGMXJMUHHMN-AWEZNQCLSA-N 2 1 309.413 3.077 20 0 DGADMP CN(CCC[NH+]1CCCC1)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754513 1092904018 /nfs/dbraw/zinc/90/40/18/1092904018.db2.gz CXYMDZFKLNMPIN-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1N1CCCCC1 ZINC001276678652 1093043195 /nfs/dbraw/zinc/04/31/95/1093043195.db2.gz IFFWOYOBDVTDMX-YQQQUEKLSA-N 2 1 313.489 3.392 20 0 DGADMP c1cc2cc[nH+]cc2c(Nc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001210224061 1093083192 /nfs/dbraw/zinc/08/31/92/1093083192.db2.gz BYGBWAAFZKRKPJ-UHFFFAOYSA-N 2 1 306.369 3.210 20 0 DGADMP CC(C)[NH+](CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000303377420 1093804915 /nfs/dbraw/zinc/80/49/15/1093804915.db2.gz ZHXFYDXNQOCCQZ-UYAOXDASSA-N 2 1 317.521 3.358 20 0 DGADMP C([C@@H]1CCCOC1)[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276720128 1093947592 /nfs/dbraw/zinc/94/75/92/1093947592.db2.gz RHMPCUCICPTUJC-KRWDZBQOSA-N 2 1 306.494 3.144 20 0 DGADMP COc1cccc(CCC[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276741608 1094209077 /nfs/dbraw/zinc/20/90/77/1094209077.db2.gz XKUZUWFANVRCGD-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3nc4ccccc4s3)C[C@H]2CC1 ZINC001276746022 1094246763 /nfs/dbraw/zinc/24/67/63/1094246763.db2.gz GWXORUBCAPOYRT-OKILXGFUSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3nc4ccccc4s3)C[C@H]2CC1 ZINC001276746022 1094246768 /nfs/dbraw/zinc/24/67/68/1094246768.db2.gz GWXORUBCAPOYRT-OKILXGFUSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3nc4ccccc4s3)C[C@H]2CC1 ZINC001276746022 1094246773 /nfs/dbraw/zinc/24/67/73/1094246773.db2.gz GWXORUBCAPOYRT-OKILXGFUSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)C[C@@H]2C1 ZINC001120070982 1094370850 /nfs/dbraw/zinc/37/08/50/1094370850.db2.gz DZQSYHCKDHHJMG-GBESFXJTSA-N 2 1 312.457 3.125 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C1 ZINC001120072634 1094371803 /nfs/dbraw/zinc/37/18/03/1094371803.db2.gz YKDICIIEDBCGJL-ZIFCJYIRSA-N 2 1 324.472 3.239 20 0 DGADMP CCCCOc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH3+])o2)cc1 ZINC001217698456 1094476236 /nfs/dbraw/zinc/47/62/36/1094476236.db2.gz DCVKXIYHAMZRQU-HNNXBMFYSA-N 2 1 318.421 3.044 20 0 DGADMP Cc1cc(Cl)ccc1-c1nnc([C@H]([NH3+])CC2CC[NH2+]CC2)o1 ZINC001217725928 1094484295 /nfs/dbraw/zinc/48/42/95/1094484295.db2.gz WFYDKAKCNCYYIF-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP CCc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o2)cc1 ZINC001217752627 1094488217 /nfs/dbraw/zinc/48/82/17/1094488217.db2.gz WFKSBJFHNVWXKX-INIZCTEOSA-N 2 1 316.449 3.467 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](OCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217763153 1094491786 /nfs/dbraw/zinc/49/17/86/1094491786.db2.gz HNIXHEVXJJICAZ-FQEVSTJZSA-N 2 1 316.489 3.447 20 0 DGADMP F[C@@H]1CCC[NH2+]C[C@@H]1OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217775671 1094493983 /nfs/dbraw/zinc/49/39/83/1094493983.db2.gz WIRFTDYWMDSCQJ-QRVBRYPASA-N 2 1 320.452 3.005 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823500 1094500624 /nfs/dbraw/zinc/50/06/24/1094500624.db2.gz YYVQCNQFTLSHSM-MJGOQNOKSA-N 2 1 302.462 3.057 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001135436963 1094538224 /nfs/dbraw/zinc/53/82/24/1094538224.db2.gz HTTWYAZOAJIMSU-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CCC[NH2+]C1 ZINC001336286207 1094616518 /nfs/dbraw/zinc/61/65/18/1094616518.db2.gz OYMAWEVGDIPNCC-BEFAXECRSA-N 2 1 312.461 3.132 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](Oc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC001218178277 1094645007 /nfs/dbraw/zinc/64/50/07/1094645007.db2.gz OSTDTUYGRYXICZ-IBGZPJMESA-N 2 1 322.452 3.376 20 0 DGADMP CC[C@]1(c2cccc(O[C@@H](C)C3C[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218198800 1094655390 /nfs/dbraw/zinc/65/53/90/1094655390.db2.gz ROWWBBYGFJRZIQ-JXFKEZNVSA-N 2 1 316.489 3.437 20 0 DGADMP CC(C)Oc1ccccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276776996 1094666698 /nfs/dbraw/zinc/66/66/98/1094666698.db2.gz KTNTWFHETMPUQC-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)ccc2c1 ZINC001276785184 1094767915 /nfs/dbraw/zinc/76/79/15/1094767915.db2.gz ZDLAMJLMKZANFX-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001336888929 1094775189 /nfs/dbraw/zinc/77/51/89/1094775189.db2.gz PBDGKVOJSXUGSQ-SOUVJXGZSA-N 2 1 307.507 3.429 20 0 DGADMP [NH3+]Cc1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC001218440445 1094775993 /nfs/dbraw/zinc/77/59/93/1094775993.db2.gz DPQPYSNSSQLUBQ-HLAWJBBLSA-N 2 1 322.452 3.435 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170932077 1094954861 /nfs/dbraw/zinc/95/48/61/1094954861.db2.gz WITFAQRFSSQFMH-PMPSAXMXSA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170932077 1094954866 /nfs/dbraw/zinc/95/48/66/1094954866.db2.gz WITFAQRFSSQFMH-PMPSAXMXSA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170932077 1094954874 /nfs/dbraw/zinc/95/48/74/1094954874.db2.gz WITFAQRFSSQFMH-PMPSAXMXSA-N 2 1 304.865 3.081 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccc(Br)cc2)C[NH2+]1 ZINC001246081779 1094998262 /nfs/dbraw/zinc/99/82/62/1094998262.db2.gz IDJAUHBMTBAARU-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c(N)n1 ZINC001337735614 1095076271 /nfs/dbraw/zinc/07/62/71/1095076271.db2.gz WMUXMVMZMQHIPX-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c(N)n1 ZINC001337735614 1095076284 /nfs/dbraw/zinc/07/62/84/1095076284.db2.gz WMUXMVMZMQHIPX-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001220298565 1095078510 /nfs/dbraw/zinc/07/85/10/1095078510.db2.gz QETPCWANJACVAR-HAZIXKIPSA-N 2 1 315.461 3.068 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4cccc(F)c4C3)C2)CC1 ZINC001170999121 1095112848 /nfs/dbraw/zinc/11/28/48/1095112848.db2.gz AYZFLBSITCVQDV-INIZCTEOSA-N 2 1 302.437 3.101 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000315564146 1095116467 /nfs/dbraw/zinc/11/64/67/1095116467.db2.gz KKJOJYBMWOUAFI-CYBMUJFWSA-N 2 1 300.402 3.015 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000315564146 1095116476 /nfs/dbraw/zinc/11/64/76/1095116476.db2.gz KKJOJYBMWOUAFI-CYBMUJFWSA-N 2 1 300.402 3.015 20 0 DGADMP Clc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001171024078 1095152908 /nfs/dbraw/zinc/15/29/08/1095152908.db2.gz INUZECDLTADCPA-OAHLLOKOSA-N 2 1 304.865 3.414 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3cc4c(cccc4Cl)[nH]3)C2)CC1 ZINC001136863773 1095205918 /nfs/dbraw/zinc/20/59/18/1095205918.db2.gz QEWSSRLJSRLKBS-UHFFFAOYSA-N 2 1 303.837 3.349 20 0 DGADMP Fc1cccc2[nH]cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c21 ZINC001136977067 1095261932 /nfs/dbraw/zinc/26/19/32/1095261932.db2.gz RWEOQZYDPQBHAR-UHFFFAOYSA-N 2 1 310.376 3.024 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115601480 1095296594 /nfs/dbraw/zinc/29/65/94/1095296594.db2.gz CVYOIPCHVPRTAS-UHFFFAOYSA-N 2 1 323.525 3.092 20 0 DGADMP Cn1ccc2c1[nH+]ccc2-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171098438 1095357804 /nfs/dbraw/zinc/35/78/04/1095357804.db2.gz GEJQTQOTONUULN-CYBMUJFWSA-N 2 1 316.408 3.333 20 0 DGADMP COc1ccc(Cl)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001143899428 1095428147 /nfs/dbraw/zinc/42/81/47/1095428147.db2.gz QCQLLGHYQUITRJ-UHFFFAOYSA-N 2 1 312.816 3.015 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222142058 1095453302 /nfs/dbraw/zinc/45/33/02/1095453302.db2.gz VUZBLYYVYAXDLF-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141181 1095453495 /nfs/dbraw/zinc/45/34/95/1095453495.db2.gz HNRHZVHTUGTFJA-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141181 1095453501 /nfs/dbraw/zinc/45/35/01/1095453501.db2.gz HNRHZVHTUGTFJA-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)[nH]c2c1 ZINC001222148019 1095456798 /nfs/dbraw/zinc/45/67/98/1095456798.db2.gz HZICCHHXGWEDET-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)[nH]c2c1 ZINC001222148019 1095456802 /nfs/dbraw/zinc/45/68/02/1095456802.db2.gz HZICCHHXGWEDET-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC001222148689 1095456875 /nfs/dbraw/zinc/45/68/75/1095456875.db2.gz QGJAEUHBRJGFAW-FQEVSTJZSA-N 2 1 314.473 3.366 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC001222148689 1095456883 /nfs/dbraw/zinc/45/68/83/1095456883.db2.gz QGJAEUHBRJGFAW-FQEVSTJZSA-N 2 1 314.473 3.366 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC001222153889 1095461609 /nfs/dbraw/zinc/46/16/09/1095461609.db2.gz CAQNSXCCSDKFKE-GOSISDBHSA-N 2 1 316.470 3.485 20 0 DGADMP COc1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160071 1095466129 /nfs/dbraw/zinc/46/61/29/1095466129.db2.gz CJDSBOMEBKSYCB-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161869 1095468946 /nfs/dbraw/zinc/46/89/46/1095468946.db2.gz RYZFFGLRILFDPD-PKOBYXMFSA-N 2 1 324.509 3.212 20 0 DGADMP COC1CCC(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001222161903 1095469753 /nfs/dbraw/zinc/46/97/53/1095469753.db2.gz SONKVKYIJJDKQK-CTWPCTMYSA-N 2 1 308.510 3.437 20 0 DGADMP c1c2cccnc2[nH]c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167840 1095473834 /nfs/dbraw/zinc/47/38/34/1095473834.db2.gz SUCJQSRWOMOMOT-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP CCOc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222171446 1095476581 /nfs/dbraw/zinc/47/65/81/1095476581.db2.gz CBQURIQSDCDTMT-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222171446 1095476587 /nfs/dbraw/zinc/47/65/87/1095476587.db2.gz CBQURIQSDCDTMT-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171357 1095476640 /nfs/dbraw/zinc/47/66/40/1095476640.db2.gz ACWNHDVTNJFIEQ-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1nc(F)ccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171357 1095476645 /nfs/dbraw/zinc/47/66/45/1095476645.db2.gz ACWNHDVTNJFIEQ-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001222172109 1095477860 /nfs/dbraw/zinc/47/78/60/1095477860.db2.gz IYKNZBGSCXZVAZ-HXUWFJFHSA-N 3 1 313.489 3.036 20 0 DGADMP c1cc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001222172109 1095477865 /nfs/dbraw/zinc/47/78/65/1095477865.db2.gz IYKNZBGSCXZVAZ-HXUWFJFHSA-N 2 1 313.489 3.036 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)ccn2n1 ZINC001222173869 1095479159 /nfs/dbraw/zinc/47/91/59/1095479159.db2.gz YSBYAPXKIVFWGM-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c2ccccc12 ZINC001222181402 1095481067 /nfs/dbraw/zinc/48/10/67/1095481067.db2.gz FXYISEKSBBUZER-UHFFFAOYSA-N 2 1 310.441 3.103 20 0 DGADMP Brc1ccc(CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222230897 1095502244 /nfs/dbraw/zinc/50/22/44/1095502244.db2.gz GOTJAKYHZXJHIB-MRXNPFEDSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1ccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222230897 1095502253 /nfs/dbraw/zinc/50/22/53/1095502253.db2.gz GOTJAKYHZXJHIB-MRXNPFEDSA-N 2 1 323.278 3.210 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC001116293151 1095508887 /nfs/dbraw/zinc/50/88/87/1095508887.db2.gz KNBNUCJHOWYCDM-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222252372 1095513804 /nfs/dbraw/zinc/51/38/04/1095513804.db2.gz CPYXHTOGRYTHNW-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222252372 1095513813 /nfs/dbraw/zinc/51/38/13/1095513813.db2.gz CPYXHTOGRYTHNW-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259097 1095514647 /nfs/dbraw/zinc/51/46/47/1095514647.db2.gz KCOZXTAADXYQBE-LJQANCHMSA-N 2 1 302.462 3.093 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222259059 1095515504 /nfs/dbraw/zinc/51/55/04/1095515504.db2.gz JKQINEGHYLRTJD-IBGZPJMESA-N 2 1 302.462 3.093 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222265463 1095519442 /nfs/dbraw/zinc/51/94/42/1095519442.db2.gz UBYMJPPLMMIJQD-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264719 1095519959 /nfs/dbraw/zinc/51/99/59/1095519959.db2.gz HBOKAJPQNBFULK-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264719 1095519963 /nfs/dbraw/zinc/51/99/63/1095519963.db2.gz HBOKAJPQNBFULK-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CCN1CCc2ccc(C[NH+]3CCC4(CCCC[NH2+]4)CC3)cc21 ZINC001222304037 1095539069 /nfs/dbraw/zinc/53/90/69/1095539069.db2.gz WCKBMESUIXQGHU-UHFFFAOYSA-N 2 1 313.489 3.177 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(C)c1C ZINC001222308132 1095541298 /nfs/dbraw/zinc/54/12/98/1095541298.db2.gz HFEVLSNBJJQIIO-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP Clc1cc2c(cc1C[N@@H+]1CCC[C@]13CCC[NH2+]CC3)OCO2 ZINC001222314890 1095545815 /nfs/dbraw/zinc/54/58/15/1095545815.db2.gz KLBATDDTEQHYIL-KRWDZBQOSA-N 2 1 322.836 3.177 20 0 DGADMP Clc1cc2c(cc1C[N@H+]1CCC[C@]13CCC[NH2+]CC3)OCO2 ZINC001222314890 1095545827 /nfs/dbraw/zinc/54/58/27/1095545827.db2.gz KLBATDDTEQHYIL-KRWDZBQOSA-N 2 1 322.836 3.177 20 0 DGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320920 1095550187 /nfs/dbraw/zinc/55/01/87/1095550187.db2.gz OESYLONGFLNJLD-KRWDZBQOSA-N 2 1 318.852 3.324 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420899 1095605117 /nfs/dbraw/zinc/60/51/17/1095605117.db2.gz HZJKGEZNMMFKQE-IBGZPJMESA-N 2 1 324.509 3.498 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420899 1095605123 /nfs/dbraw/zinc/60/51/23/1095605123.db2.gz HZJKGEZNMMFKQE-IBGZPJMESA-N 2 1 324.509 3.498 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)cc1C(F)(F)F ZINC001144391963 1095630804 /nfs/dbraw/zinc/63/08/04/1095630804.db2.gz KZEYGFYPACLXFE-UHFFFAOYSA-N 2 1 304.356 3.185 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)cc1C(F)(F)F ZINC001144391963 1095630809 /nfs/dbraw/zinc/63/08/09/1095630809.db2.gz KZEYGFYPACLXFE-UHFFFAOYSA-N 2 1 304.356 3.185 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC1CC[NH+](C)CC1 ZINC001222498480 1095641142 /nfs/dbraw/zinc/64/11/42/1095641142.db2.gz MHZAOZRFMNEOIN-VQIMIIECSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+]1CCC(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001222509674 1095644962 /nfs/dbraw/zinc/64/49/62/1095644962.db2.gz QZJRKSLTJYWAEF-DFQSSKMNSA-N 2 1 314.473 3.008 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001222531976 1095654077 /nfs/dbraw/zinc/65/40/77/1095654077.db2.gz HSWYZXBNRTYHRV-UHFFFAOYSA-N 2 1 308.294 3.107 20 0 DGADMP CC(C)Oc1c(C[NH+]2CCC(F)(C[NH3+])CC2)ccc(F)c1F ZINC001222552868 1095664009 /nfs/dbraw/zinc/66/40/09/1095664009.db2.gz KTGWVLTWDCMLQS-UHFFFAOYSA-N 2 1 316.367 3.015 20 0 DGADMP Fc1ccc(CCC[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596346 1095682152 /nfs/dbraw/zinc/68/21/52/1095682152.db2.gz UXMKNCLVVWDVNP-FQEVSTJZSA-N 2 1 324.443 3.447 20 0 DGADMP Fc1cccc(CCC[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222596620 1095682445 /nfs/dbraw/zinc/68/24/45/1095682445.db2.gz ZEAJCILOLGGXAW-FQEVSTJZSA-N 2 1 324.443 3.447 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1)c1ccccc1 ZINC001222596177 1095683085 /nfs/dbraw/zinc/68/30/85/1095683085.db2.gz RLVCTDZPCWOPEA-YLJYHZDGSA-N 2 1 306.453 3.479 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1F ZINC001222602441 1095687747 /nfs/dbraw/zinc/68/77/47/1095687747.db2.gz QCWZGKQFIFSQKW-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1F ZINC001222602441 1095687753 /nfs/dbraw/zinc/68/77/53/1095687753.db2.gz QCWZGKQFIFSQKW-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608856 1095691463 /nfs/dbraw/zinc/69/14/63/1095691463.db2.gz GXXMJGJOSYNREG-LJQANCHMSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(F)cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608856 1095691470 /nfs/dbraw/zinc/69/14/70/1095691470.db2.gz GXXMJGJOSYNREG-LJQANCHMSA-N 2 1 310.416 3.323 20 0 DGADMP COCc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222609118 1095692080 /nfs/dbraw/zinc/69/20/80/1095692080.db2.gz KXVUMUDFLTZYLF-HXUWFJFHSA-N 2 1 322.452 3.022 20 0 DGADMP c1cc2cccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2[nH]1 ZINC001222609135 1095692127 /nfs/dbraw/zinc/69/21/27/1095692127.db2.gz LJFOIKDHTKOJHS-IBGZPJMESA-N 2 1 317.436 3.357 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623469 1095698822 /nfs/dbraw/zinc/69/88/22/1095698822.db2.gz KIYPTTJYRUVKDB-HDICACEKSA-N 2 1 324.509 3.212 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629518 1095699761 /nfs/dbraw/zinc/69/97/61/1095699761.db2.gz KOXVKYXXYHNHDQ-CALCHBBNSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC001222629137 1095700486 /nfs/dbraw/zinc/70/04/86/1095700486.db2.gz AXBYSOWJZKOCSK-HDICACEKSA-N 2 1 317.477 3.000 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2cncnc2)c1 ZINC001137772725 1095739032 /nfs/dbraw/zinc/73/90/32/1095739032.db2.gz KERMDSNANLMAIY-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCCC1 ZINC001117594462 1095784898 /nfs/dbraw/zinc/78/48/98/1095784898.db2.gz FTKYGJKGYFWROQ-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001137933342 1095793784 /nfs/dbraw/zinc/79/37/84/1095793784.db2.gz CIPHEEFHDXJNQV-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C2CC2)c1 ZINC001117789564 1095857369 /nfs/dbraw/zinc/85/73/69/1095857369.db2.gz MKQVRGSEKLPOFV-GOSISDBHSA-N 2 1 309.457 3.435 20 0 DGADMP CC(C)n1ncc2c1[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC001118034049 1095925786 /nfs/dbraw/zinc/92/57/86/1095925786.db2.gz VMVFWBJEXVIGLU-GVDBMIGSSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC001118034049 1095925799 /nfs/dbraw/zinc/92/57/99/1095925799.db2.gz VMVFWBJEXVIGLU-GVDBMIGSSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC001118034049 1095925813 /nfs/dbraw/zinc/92/58/13/1095925813.db2.gz VMVFWBJEXVIGLU-GVDBMIGSSA-N 2 1 302.466 3.058 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001118103325 1095936517 /nfs/dbraw/zinc/93/65/17/1095936517.db2.gz SDEVOGQVPBPLTE-STQMWFEESA-N 2 1 316.276 3.259 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC001118121483 1095938550 /nfs/dbraw/zinc/93/85/50/1095938550.db2.gz FWCHOVZGIMKWTA-HOTGVXAUSA-N 2 1 314.477 3.446 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246644185 1095956913 /nfs/dbraw/zinc/95/69/13/1095956913.db2.gz WZXNBFCGGLEUTF-CYBMUJFWSA-N 2 1 323.278 3.208 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001246818892 1095996221 /nfs/dbraw/zinc/99/62/21/1095996221.db2.gz BYXOLIXWJAEWLB-TZMCWYRMSA-N 2 1 311.267 3.236 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001341042924 1096104535 /nfs/dbraw/zinc/10/45/35/1096104535.db2.gz CVPDGKHAIUJNJH-IAGOWNOFSA-N 2 1 301.478 3.441 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001341042924 1096104536 /nfs/dbraw/zinc/10/45/36/1096104536.db2.gz CVPDGKHAIUJNJH-IAGOWNOFSA-N 2 1 301.478 3.441 20 0 DGADMP [NH3+][C@@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC001341381351 1096166293 /nfs/dbraw/zinc/16/62/93/1096166293.db2.gz VRPPSSSWDIGVFG-KRWDZBQOSA-N 2 1 324.428 3.101 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001119517212 1096218934 /nfs/dbraw/zinc/21/89/34/1096218934.db2.gz PPSCKGSIIZZMJA-KRWDZBQOSA-N 2 1 315.461 3.094 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001119517212 1096218938 /nfs/dbraw/zinc/21/89/38/1096218938.db2.gz PPSCKGSIIZZMJA-KRWDZBQOSA-N 2 1 315.461 3.094 20 0 DGADMP Cc1cccc(N2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)[nH+]1 ZINC001276981306 1096240330 /nfs/dbraw/zinc/24/03/30/1096240330.db2.gz XJAXMMFMEJFANZ-CALCHBBNSA-N 2 1 310.445 3.067 20 0 DGADMP Cc1cccc(N2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)[nH+]1 ZINC001276981306 1096240334 /nfs/dbraw/zinc/24/03/34/1096240334.db2.gz XJAXMMFMEJFANZ-CALCHBBNSA-N 2 1 310.445 3.067 20 0 DGADMP C[N@H+]1CCCC[C@H]1COC1CC[NH+](CCc2ccccc2)CC1 ZINC001224706330 1096268072 /nfs/dbraw/zinc/26/80/72/1096268072.db2.gz JMIDSMXAGNLKEG-IBGZPJMESA-N 2 1 316.489 3.194 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC001224706042 1096268174 /nfs/dbraw/zinc/26/81/74/1096268174.db2.gz IZEMDUUBILPGDU-ZWKOTPCHSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224706042 1096268178 /nfs/dbraw/zinc/26/81/78/1096268178.db2.gz IZEMDUUBILPGDU-ZWKOTPCHSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224706042 1096268184 /nfs/dbraw/zinc/26/81/84/1096268184.db2.gz IZEMDUUBILPGDU-ZWKOTPCHSA-N 2 1 320.452 3.291 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CC2 ZINC001171314705 1096280949 /nfs/dbraw/zinc/28/09/49/1096280949.db2.gz FSNMWDATKSAUBS-AHIWAGSCSA-N 2 1 322.880 3.136 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC001171314705 1096280955 /nfs/dbraw/zinc/28/09/55/1096280955.db2.gz FSNMWDATKSAUBS-AHIWAGSCSA-N 2 1 322.880 3.136 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC001224833113 1096296544 /nfs/dbraw/zinc/29/65/44/1096296544.db2.gz ZLPFGHKZXZGUJX-LWYYNNOASA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001224833113 1096296549 /nfs/dbraw/zinc/29/65/49/1096296549.db2.gz ZLPFGHKZXZGUJX-LWYYNNOASA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001224833113 1096296558 /nfs/dbraw/zinc/29/65/58/1096296558.db2.gz ZLPFGHKZXZGUJX-LWYYNNOASA-N 2 1 314.473 3.008 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330606 1096362644 /nfs/dbraw/zinc/36/26/44/1096362644.db2.gz TXEFTMGGEWVTJU-QZTJIDSGSA-N 2 1 323.525 3.092 20 0 DGADMP C[NH+](C)CC[C@H](Oc1cccnc1C[NH+](C)C)c1cccs1 ZINC001225281240 1096383865 /nfs/dbraw/zinc/38/38/65/1096383865.db2.gz WOBBOANROHAXNM-INIZCTEOSA-N 2 1 319.474 3.277 20 0 DGADMP COc1cc(N2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)ccn1 ZINC001277076296 1096541631 /nfs/dbraw/zinc/54/16/31/1096541631.db2.gz VUUQTTNENXFHAB-IBGZPJMESA-N 2 1 315.461 3.325 20 0 DGADMP Fc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001171417320 1096705872 /nfs/dbraw/zinc/70/58/72/1096705872.db2.gz ARZIPHHYTIWMNE-KRWDZBQOSA-N 2 1 302.437 3.243 20 0 DGADMP CCOC(=O)C[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171632390 1096931021 /nfs/dbraw/zinc/93/10/21/1096931021.db2.gz ZIEJDFQBFXNANO-HNNXBMFYSA-N 2 1 324.509 3.303 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001171595874 1096931899 /nfs/dbraw/zinc/93/18/99/1096931899.db2.gz IGQJGDMNAQKMRK-MRXNPFEDSA-N 2 1 313.530 3.027 20 0 DGADMP COc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc(OC)c1 ZINC001171617077 1096934796 /nfs/dbraw/zinc/93/47/96/1096934796.db2.gz FZWMLAOEYXNALD-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP C[NH+](C)Cc1ccc(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619292 1096935538 /nfs/dbraw/zinc/93/55/38/1096935538.db2.gz IOMHCEQJQBCPDW-UHFFFAOYSA-N 2 1 317.521 3.489 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637431 1096948182 /nfs/dbraw/zinc/94/81/82/1096948182.db2.gz NFEDHQNXAMDTJI-KRWDZBQOSA-N 2 1 317.477 3.186 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](Oc3ccccn3)C2)CC1(C)C ZINC001171643466 1096950762 /nfs/dbraw/zinc/95/07/62/1096950762.db2.gz UMLBCFFRNSTAMS-INIZCTEOSA-N 2 1 317.477 3.186 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171726401 1096955241 /nfs/dbraw/zinc/95/52/41/1096955241.db2.gz FQEHKCVDDPBGCN-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171726401 1096955251 /nfs/dbraw/zinc/95/52/51/1096955251.db2.gz FQEHKCVDDPBGCN-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCN(CCC[NH+](C)C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171765944 1096966196 /nfs/dbraw/zinc/96/61/96/1096966196.db2.gz AOXDYJICQVTPQZ-UYAOXDASSA-N 2 1 317.521 3.313 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171766245 1096966288 /nfs/dbraw/zinc/96/62/88/1096966288.db2.gz CGGAZZFEDXHPDT-YZGWKJHDSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171766245 1096966295 /nfs/dbraw/zinc/96/62/95/1096966295.db2.gz CGGAZZFEDXHPDT-YZGWKJHDSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171766245 1096966298 /nfs/dbraw/zinc/96/62/98/1096966298.db2.gz CGGAZZFEDXHPDT-YZGWKJHDSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H](Nc2cccc(CC[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171734001 1096970832 /nfs/dbraw/zinc/97/08/32/1096970832.db2.gz LBXXHTYCFGYEOZ-UZLBHIALSA-N 2 1 309.457 3.263 20 0 DGADMP CC(C)N([C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH3+] ZINC001171741238 1096973257 /nfs/dbraw/zinc/97/32/57/1096973257.db2.gz OUEVKJMAPGOMKF-FUHWJXTLSA-N 2 1 303.494 3.097 20 0 DGADMP CC1(C)C[C@H]([NH2+]CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961558 1097005623 /nfs/dbraw/zinc/00/56/23/1097005623.db2.gz AESADDKMCFYJHM-LJQANCHMSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988809 1097015648 /nfs/dbraw/zinc/01/56/48/1097015648.db2.gz VXRQELIRIRVESM-QUCCMNQESA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988809 1097015655 /nfs/dbraw/zinc/01/56/55/1097015655.db2.gz VXRQELIRIRVESM-QUCCMNQESA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988809 1097015660 /nfs/dbraw/zinc/01/56/60/1097015660.db2.gz VXRQELIRIRVESM-QUCCMNQESA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988809 1097015667 /nfs/dbraw/zinc/01/56/67/1097015667.db2.gz VXRQELIRIRVESM-QUCCMNQESA-N 2 1 316.489 3.276 20 0 DGADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970044 1097020068 /nfs/dbraw/zinc/02/00/68/1097020068.db2.gz XOGYWUQLQMUKTC-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970044 1097020073 /nfs/dbraw/zinc/02/00/73/1097020073.db2.gz XOGYWUQLQMUKTC-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970044 1097020078 /nfs/dbraw/zinc/02/00/78/1097020078.db2.gz XOGYWUQLQMUKTC-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970044 1097020085 /nfs/dbraw/zinc/02/00/85/1097020085.db2.gz XOGYWUQLQMUKTC-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970044 1097020090 /nfs/dbraw/zinc/02/00/90/1097020090.db2.gz XOGYWUQLQMUKTC-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2C[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171970880 1097020199 /nfs/dbraw/zinc/02/01/99/1097020199.db2.gz FXLLEWJJTIJJNC-GGPKGHCWSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171970116 1097020344 /nfs/dbraw/zinc/02/03/44/1097020344.db2.gz YPKUXFOBBGYUHE-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)(CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971937 1097022049 /nfs/dbraw/zinc/02/20/49/1097022049.db2.gz LINXZSVAOUHLCI-KRWDZBQOSA-N 2 1 304.478 3.180 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC3(C2)CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171975829 1097023360 /nfs/dbraw/zinc/02/33/60/1097023360.db2.gz GHKUIICCVLRBHB-SFHVURJKSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC3(C2)CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171975829 1097023365 /nfs/dbraw/zinc/02/33/65/1097023365.db2.gz GHKUIICCVLRBHB-SFHVURJKSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975313 1097023558 /nfs/dbraw/zinc/02/35/58/1097023558.db2.gz BSQCFYJDKBCMII-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975313 1097023563 /nfs/dbraw/zinc/02/35/63/1097023563.db2.gz BSQCFYJDKBCMII-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975313 1097023568 /nfs/dbraw/zinc/02/35/68/1097023568.db2.gz BSQCFYJDKBCMII-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975313 1097023572 /nfs/dbraw/zinc/02/35/72/1097023572.db2.gz BSQCFYJDKBCMII-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976833 1097026348 /nfs/dbraw/zinc/02/63/48/1097026348.db2.gz NLHKWHULGAAGQM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976833 1097026353 /nfs/dbraw/zinc/02/63/53/1097026353.db2.gz NLHKWHULGAAGQM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976833 1097026359 /nfs/dbraw/zinc/02/63/59/1097026359.db2.gz NLHKWHULGAAGQM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976833 1097026364 /nfs/dbraw/zinc/02/63/64/1097026364.db2.gz NLHKWHULGAAGQM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H](n2cc(CC[NH3+])cn2)CC[N@H+]1Cc1ccccc1 ZINC001171983717 1097027822 /nfs/dbraw/zinc/02/78/22/1097027822.db2.gz PQQSIFJQCHSSMJ-SFHVURJKSA-N 2 1 312.461 3.000 20 0 DGADMP Cc1cnc(C[NH3+])n1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171981317 1097027924 /nfs/dbraw/zinc/02/79/24/1097027924.db2.gz CBOACJGPGMZDCU-QGZVFWFLSA-N 2 1 312.461 3.266 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171986133 1097029363 /nfs/dbraw/zinc/02/93/63/1097029363.db2.gz FKFGBCVCPSQNFO-UYAOXDASSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171986133 1097029368 /nfs/dbraw/zinc/02/93/68/1097029368.db2.gz FKFGBCVCPSQNFO-UYAOXDASSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986133 1097029375 /nfs/dbraw/zinc/02/93/75/1097029375.db2.gz FKFGBCVCPSQNFO-UYAOXDASSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986133 1097029379 /nfs/dbraw/zinc/02/93/79/1097029379.db2.gz FKFGBCVCPSQNFO-UYAOXDASSA-N 2 1 314.473 3.294 20 0 DGADMP CCN(C1COC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988497 1097030137 /nfs/dbraw/zinc/03/01/37/1097030137.db2.gz RZKMAMISARCPQD-QGZVFWFLSA-N 2 1 302.462 3.150 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076535 1097038766 /nfs/dbraw/zinc/03/87/66/1097038766.db2.gz FLWGGKCQRMGPMK-UHZRXMQZSA-N 2 1 313.489 3.042 20 0 DGADMP c1cnn(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172062925 1097041816 /nfs/dbraw/zinc/04/18/16/1097041816.db2.gz SPGHKUNFZUBKPA-ACDBMABISA-N 2 1 324.472 3.058 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCCC1)C2 ZINC001172100536 1097042238 /nfs/dbraw/zinc/04/22/38/1097042238.db2.gz DQCCRJPKFNEALW-REPLKXPHSA-N 2 1 313.489 3.392 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCOc1ccc(F)cc1)C2 ZINC001172100169 1097042902 /nfs/dbraw/zinc/04/29/02/1097042902.db2.gz ACBJCYFACXPYJM-OSYLJGHBSA-N 2 1 306.425 3.200 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CSC2)C3)cc1 ZINC001172066084 1097044236 /nfs/dbraw/zinc/04/42/36/1097044236.db2.gz TWWIWLVAMGAHHW-VBUUOAMHSA-N 2 1 302.487 3.277 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204082280 1097044527 /nfs/dbraw/zinc/04/45/27/1097044527.db2.gz SUSQFXNTMHTWAT-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204082280 1097044532 /nfs/dbraw/zinc/04/45/32/1097044532.db2.gz SUSQFXNTMHTWAT-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204082280 1097044538 /nfs/dbraw/zinc/04/45/38/1097044538.db2.gz SUSQFXNTMHTWAT-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204082280 1097044542 /nfs/dbraw/zinc/04/45/42/1097044542.db2.gz SUSQFXNTMHTWAT-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP CO[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068834 1097046846 /nfs/dbraw/zinc/04/68/46/1097046846.db2.gz LHKQJXAPRBYDME-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068834 1097046851 /nfs/dbraw/zinc/04/68/51/1097046851.db2.gz LHKQJXAPRBYDME-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068834 1097046855 /nfs/dbraw/zinc/04/68/55/1097046855.db2.gz LHKQJXAPRBYDME-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068834 1097046860 /nfs/dbraw/zinc/04/68/60/1097046860.db2.gz LHKQJXAPRBYDME-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001172124970 1097046930 /nfs/dbraw/zinc/04/69/30/1097046930.db2.gz NRUPWKQRKKHPHJ-BJWYYQGGSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001172124970 1097046935 /nfs/dbraw/zinc/04/69/35/1097046935.db2.gz NRUPWKQRKKHPHJ-BJWYYQGGSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130611 1097049549 /nfs/dbraw/zinc/04/95/49/1097049549.db2.gz QMHIRUFOLKNXSD-MANSERQUSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130611 1097049553 /nfs/dbraw/zinc/04/95/53/1097049553.db2.gz QMHIRUFOLKNXSD-MANSERQUSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130611 1097049557 /nfs/dbraw/zinc/04/95/57/1097049557.db2.gz QMHIRUFOLKNXSD-MANSERQUSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001172130611 1097049561 /nfs/dbraw/zinc/04/95/61/1097049561.db2.gz QMHIRUFOLKNXSD-MANSERQUSA-N 2 1 306.494 3.283 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172103407 1097052792 /nfs/dbraw/zinc/05/27/92/1097052792.db2.gz UJFCKKZEXYSORC-DZUCGIPZSA-N 2 1 318.461 3.370 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172103407 1097052797 /nfs/dbraw/zinc/05/27/97/1097052797.db2.gz UJFCKKZEXYSORC-DZUCGIPZSA-N 2 1 318.461 3.370 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)nc1)C2 ZINC001172102259 1097052842 /nfs/dbraw/zinc/05/28/42/1097052842.db2.gz LLXYXQARMFEJKZ-ZSOGYDGISA-N 2 1 313.367 3.205 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC001172104224 1097053185 /nfs/dbraw/zinc/05/31/85/1097053185.db2.gz AXVMNNBRGMUVGH-VJDPLVQDSA-N 2 1 313.489 3.260 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC001172104224 1097053189 /nfs/dbraw/zinc/05/31/89/1097053189.db2.gz AXVMNNBRGMUVGH-VJDPLVQDSA-N 2 1 313.489 3.260 20 0 DGADMP CCOC(=O)CCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104149 1097053580 /nfs/dbraw/zinc/05/35/80/1097053580.db2.gz DDAIRMQHGNZORN-BJWYYQGGSA-N 2 1 310.482 3.105 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108916 1097054491 /nfs/dbraw/zinc/05/44/91/1097054491.db2.gz AGLVKBZKULKARP-FJIDUMEYSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108916 1097054495 /nfs/dbraw/zinc/05/44/95/1097054495.db2.gz AGLVKBZKULKARP-FJIDUMEYSA-N 2 1 303.425 3.277 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108865 1097054929 /nfs/dbraw/zinc/05/49/29/1097054929.db2.gz HBHGESRAYBCCGH-JQALIZKVSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172108865 1097054933 /nfs/dbraw/zinc/05/49/33/1097054933.db2.gz HBHGESRAYBCCGH-JQALIZKVSA-N 2 1 322.493 3.103 20 0 DGADMP CCCC[NH+](CCCC)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108727 1097055116 /nfs/dbraw/zinc/05/51/16/1097055116.db2.gz YOCYDEBLBUYRNF-LDLYASANSA-N 2 1 309.542 3.494 20 0 DGADMP COc1cccc([C@H](C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108668 1097055170 /nfs/dbraw/zinc/05/51/70/1097055170.db2.gz CTQMXRIAKRXPAD-NRSFXHEJSA-N 2 1 302.462 3.404 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3c(F)cccc31)C2 ZINC001172107989 1097055389 /nfs/dbraw/zinc/05/53/89/1097055389.db2.gz NFOZFAAOMAHATA-VWPFQQQWSA-N 2 1 304.409 3.254 20 0 DGADMP CCOc1ccccc1OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109778 1097056129 /nfs/dbraw/zinc/05/61/29/1097056129.db2.gz LFGSUDUSVAKYPB-BJWYYQGGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1cc2c(cc1C)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172111207 1097056612 /nfs/dbraw/zinc/05/66/12/1097056612.db2.gz QQGVQZHKTQQERH-OKYOBFRVSA-N 2 1 314.473 3.076 20 0 DGADMP COc1cc2c(cc1C)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172111207 1097056618 /nfs/dbraw/zinc/05/66/18/1097056618.db2.gz QQGVQZHKTQQERH-OKYOBFRVSA-N 2 1 314.473 3.076 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](CO)c1cccc(Cl)c1)C2 ZINC001172110436 1097056678 /nfs/dbraw/zinc/05/66/78/1097056678.db2.gz MUUWYMWJKQNSQO-LEUOFYLZSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CSc3ccccc3C1)C2 ZINC001172111192 1097056752 /nfs/dbraw/zinc/05/67/52/1097056752.db2.gz TYLXKIHECZSXEP-LUKYLMHMSA-N 2 1 302.487 3.308 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CSc3ccccc3C1)C2 ZINC001172111192 1097056757 /nfs/dbraw/zinc/05/67/57/1097056757.db2.gz TYLXKIHECZSXEP-LUKYLMHMSA-N 2 1 302.487 3.308 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccnc1C(F)(F)F)C2 ZINC001172111056 1097056809 /nfs/dbraw/zinc/05/68/09/1097056809.db2.gz QAFXEGHXMAHFRJ-ZSOGYDGISA-N 2 1 313.367 3.205 20 0 DGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172110294 1097056964 /nfs/dbraw/zinc/05/69/64/1097056964.db2.gz JLWDINSNSAKWPU-OSYLJGHBSA-N 2 1 301.478 3.273 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccccc1)C2 ZINC001172112512 1097058404 /nfs/dbraw/zinc/05/84/04/1097058404.db2.gz WQZOWSXDWXEQIK-REPLKXPHSA-N 2 1 324.472 3.036 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115521 1097062658 /nfs/dbraw/zinc/06/26/58/1097062658.db2.gz XYYOQLFQLDJWKI-PMOLBWCYSA-N 2 1 319.537 3.200 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121512 1097063307 /nfs/dbraw/zinc/06/33/07/1097063307.db2.gz KDRXMRRYMNPTLR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121512 1097063313 /nfs/dbraw/zinc/06/33/13/1097063313.db2.gz KDRXMRRYMNPTLR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121512 1097063319 /nfs/dbraw/zinc/06/33/19/1097063319.db2.gz KDRXMRRYMNPTLR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121512 1097063323 /nfs/dbraw/zinc/06/33/23/1097063323.db2.gz KDRXMRRYMNPTLR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3cc(F)ccc31)C2 ZINC001172118252 1097063372 /nfs/dbraw/zinc/06/33/72/1097063372.db2.gz PZPCHJKUTWCHRL-MPTYRVRUSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121511 1097063982 /nfs/dbraw/zinc/06/39/82/1097063982.db2.gz KDRXMRRYMNPTLR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121511 1097063988 /nfs/dbraw/zinc/06/39/88/1097063988.db2.gz KDRXMRRYMNPTLR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121511 1097063994 /nfs/dbraw/zinc/06/39/94/1097063994.db2.gz KDRXMRRYMNPTLR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121511 1097064001 /nfs/dbraw/zinc/06/40/01/1097064001.db2.gz KDRXMRRYMNPTLR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[C@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118193 1097064953 /nfs/dbraw/zinc/06/49/53/1097064953.db2.gz PEIUDAQJUYJPIB-RSPOEFSDSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118190 1097065141 /nfs/dbraw/zinc/06/51/41/1097065141.db2.gz PEIUDAQJUYJPIB-IJXRJRJASA-N 2 1 315.505 3.099 20 0 DGADMP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172119201 1097065288 /nfs/dbraw/zinc/06/52/88/1097065288.db2.gz VVRNXWOEYMFDAL-XMTFNYHQSA-N 2 1 322.493 3.103 20 0 DGADMP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172119201 1097065295 /nfs/dbraw/zinc/06/52/95/1097065295.db2.gz VVRNXWOEYMFDAL-XMTFNYHQSA-N 2 1 322.493 3.103 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172123982 1097066258 /nfs/dbraw/zinc/06/62/58/1097066258.db2.gz IFGVBDSMZKLLOP-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172123982 1097066264 /nfs/dbraw/zinc/06/62/64/1097066264.db2.gz IFGVBDSMZKLLOP-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172123982 1097066269 /nfs/dbraw/zinc/06/62/69/1097066269.db2.gz IFGVBDSMZKLLOP-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172123982 1097066275 /nfs/dbraw/zinc/06/62/75/1097066275.db2.gz IFGVBDSMZKLLOP-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172123982 1097066280 /nfs/dbraw/zinc/06/62/80/1097066280.db2.gz IFGVBDSMZKLLOP-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CSc4ccccc4C3)C2)CC1 ZINC001172204718 1097075986 /nfs/dbraw/zinc/07/59/86/1097075986.db2.gz CYOLQBKGVXASEJ-INIZCTEOSA-N 2 1 302.487 3.121 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172233031 1097083041 /nfs/dbraw/zinc/08/30/41/1097083041.db2.gz OXEVOTMPFMWTFI-XAOHYQHJSA-N 2 1 312.457 3.115 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172233031 1097083044 /nfs/dbraw/zinc/08/30/44/1097083044.db2.gz OXEVOTMPFMWTFI-XAOHYQHJSA-N 2 1 312.457 3.115 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc3C2)[C@H](C)C1 ZINC001172194621 1097085227 /nfs/dbraw/zinc/08/52/27/1097085227.db2.gz VRBCRTAEFWLLCS-PVAVHDDUSA-N 2 1 304.503 3.412 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001172253409 1097092079 /nfs/dbraw/zinc/09/20/79/1097092079.db2.gz OQTCMOBWGZHQHI-KRWDZBQOSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001172253409 1097092084 /nfs/dbraw/zinc/09/20/84/1097092084.db2.gz OQTCMOBWGZHQHI-KRWDZBQOSA-N 2 1 320.452 3.116 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172254575 1097092273 /nfs/dbraw/zinc/09/22/73/1097092273.db2.gz RIGXPNOYAAQCMI-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172254575 1097092277 /nfs/dbraw/zinc/09/22/77/1097092277.db2.gz RIGXPNOYAAQCMI-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001172254876 1097092929 /nfs/dbraw/zinc/09/29/29/1097092929.db2.gz YZBZVXKYSZMMOL-CALCHBBNSA-N 2 1 314.473 3.074 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001172254876 1097092935 /nfs/dbraw/zinc/09/29/35/1097092935.db2.gz YZBZVXKYSZMMOL-CALCHBBNSA-N 2 1 314.473 3.074 20 0 DGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172317495 1097099493 /nfs/dbraw/zinc/09/94/93/1097099493.db2.gz BXHNARQVVMHXOX-PPLKHSGQSA-N 2 1 316.489 3.300 20 0 DGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172317495 1097099499 /nfs/dbraw/zinc/09/94/99/1097099499.db2.gz BXHNARQVVMHXOX-PPLKHSGQSA-N 2 1 316.489 3.300 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC001172279207 1097102473 /nfs/dbraw/zinc/10/24/73/1097102473.db2.gz AFCUNDGVKMHESR-QGZVFWFLSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172280560 1097102501 /nfs/dbraw/zinc/10/25/01/1097102501.db2.gz KVEJZKODRJNJDF-KZNAEPCWSA-N 2 1 320.452 3.465 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378597 1097113882 /nfs/dbraw/zinc/11/38/82/1097113882.db2.gz PKUXFXJCMYDRFR-IKGGRYGDSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378597 1097113885 /nfs/dbraw/zinc/11/38/85/1097113885.db2.gz PKUXFXJCMYDRFR-IKGGRYGDSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378597 1097113886 /nfs/dbraw/zinc/11/38/86/1097113886.db2.gz PKUXFXJCMYDRFR-IKGGRYGDSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378597 1097113888 /nfs/dbraw/zinc/11/38/88/1097113888.db2.gz PKUXFXJCMYDRFR-IKGGRYGDSA-N 2 1 318.509 3.364 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC001172359619 1097125201 /nfs/dbraw/zinc/12/52/01/1097125201.db2.gz KVNGZMSXLAFVRE-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172415574 1097133931 /nfs/dbraw/zinc/13/39/31/1097133931.db2.gz XKMLSVIMJDYGTF-KRWDZBQOSA-N 2 1 304.478 3.098 20 0 DGADMP CCOCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1 ZINC001172415452 1097134174 /nfs/dbraw/zinc/13/41/74/1097134174.db2.gz ZNQWRURICTXQRD-AWEZNQCLSA-N 2 1 310.869 3.405 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172400915 1097144854 /nfs/dbraw/zinc/14/48/54/1097144854.db2.gz DOWJMCQSQXYJDG-DLBZAZTESA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172437830 1097153941 /nfs/dbraw/zinc/15/39/41/1097153941.db2.gz VXGSCAXMVKHIEN-HNNXBMFYSA-N 2 1 308.441 3.279 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446022 1097156946 /nfs/dbraw/zinc/15/69/46/1097156946.db2.gz VASLWCBGMBGFQD-LNLFQRSKSA-N 2 1 319.493 3.357 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172466631 1097163491 /nfs/dbraw/zinc/16/34/91/1097163491.db2.gz NSGJRRSMOWVHQL-INIZCTEOSA-N 2 1 319.493 3.380 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206174669 1097214591 /nfs/dbraw/zinc/21/45/91/1097214591.db2.gz OPMOVIMCUZDZPA-KGLIPLIRSA-N 2 1 320.330 3.155 20 0 DGADMP NCC[N@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708060 1097226850 /nfs/dbraw/zinc/22/68/50/1097226850.db2.gz AOGXCNGJGVFXGV-SFHVURJKSA-N 2 1 300.833 3.268 20 0 DGADMP NCC[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708060 1097226854 /nfs/dbraw/zinc/22/68/54/1097226854.db2.gz AOGXCNGJGVFXGV-SFHVURJKSA-N 2 1 300.833 3.268 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708060 1097226857 /nfs/dbraw/zinc/22/68/57/1097226857.db2.gz AOGXCNGJGVFXGV-SFHVURJKSA-N 2 1 300.833 3.268 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708060 1097226862 /nfs/dbraw/zinc/22/68/62/1097226862.db2.gz AOGXCNGJGVFXGV-SFHVURJKSA-N 2 1 300.833 3.268 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206185206 1097307498 /nfs/dbraw/zinc/30/74/98/1097307498.db2.gz LQCOLQJPJKPWRG-OALUTQOASA-N 2 1 315.436 3.167 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206185206 1097307503 /nfs/dbraw/zinc/30/75/03/1097307503.db2.gz LQCOLQJPJKPWRG-OALUTQOASA-N 2 1 315.436 3.167 20 0 DGADMP CCOC(=O)[C@H](CC1CCC1)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173106724 1097330993 /nfs/dbraw/zinc/33/09/93/1097330993.db2.gz CERBKXQISMCGDG-ABHNRTSZSA-N 2 1 324.509 3.351 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3nc(C)sc3C2)CC1 ZINC001173114265 1097332764 /nfs/dbraw/zinc/33/27/64/1097332764.db2.gz DUGJOOZDNQEULF-UHFFFAOYSA-N 2 1 307.507 3.463 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)CC1 ZINC001173113494 1097332864 /nfs/dbraw/zinc/33/28/64/1097332864.db2.gz QZRBEQOPHAGPIL-HGSUQPQSSA-N 2 1 320.399 3.043 20 0 DGADMP CCCCOC(=O)[C@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173117435 1097333744 /nfs/dbraw/zinc/33/37/44/1097333744.db2.gz LMRUXJIHSOICMX-AOCRQIFASA-N 2 1 324.509 3.305 20 0 DGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229515966 1097337580 /nfs/dbraw/zinc/33/75/80/1097337580.db2.gz CNJIUOSXQBELNE-HNGSOEQISA-N 2 1 323.525 3.092 20 0 DGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2ncsc2C1 ZINC001173133438 1097339425 /nfs/dbraw/zinc/33/94/25/1097339425.db2.gz WVTHCCPCAIUJKU-RBSFLKMASA-N 2 1 307.507 3.228 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCc2ncsc2C1 ZINC001173143692 1097345351 /nfs/dbraw/zinc/34/53/51/1097345351.db2.gz OIIWYNHWIKFHQO-JYJNAYRXSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ncsc2C1 ZINC001173143692 1097345356 /nfs/dbraw/zinc/34/53/56/1097345356.db2.gz OIIWYNHWIKFHQO-JYJNAYRXSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCc2ncsc2C1 ZINC001173143692 1097345362 /nfs/dbraw/zinc/34/53/62/1097345362.db2.gz OIIWYNHWIKFHQO-JYJNAYRXSA-N 2 1 319.518 3.339 20 0 DGADMP C[C@H](c1cccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1)[NH+](C)C ZINC001229621634 1097354401 /nfs/dbraw/zinc/35/44/01/1097354401.db2.gz HYYXIQKQUSJVKK-VYCZESIESA-N 2 1 302.462 3.418 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001173169525 1097363835 /nfs/dbraw/zinc/36/38/35/1097363835.db2.gz PERWKZWFSWGNIP-KCITZHQASA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001173169525 1097363842 /nfs/dbraw/zinc/36/38/42/1097363842.db2.gz PERWKZWFSWGNIP-KCITZHQASA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171098 1097365898 /nfs/dbraw/zinc/36/58/98/1097365898.db2.gz GEBQWZMIYAXPTI-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171098 1097365904 /nfs/dbraw/zinc/36/59/04/1097365904.db2.gz GEBQWZMIYAXPTI-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1CC[C@H](N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)C1 ZINC001173283473 1097413049 /nfs/dbraw/zinc/41/30/49/1097413049.db2.gz LTKVCXJPMYPTEP-WBVHZDCISA-N 2 1 302.466 3.231 20 0 DGADMP CC[C@H]1CC[C@@H](N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)C1 ZINC001173283468 1097413058 /nfs/dbraw/zinc/41/30/58/1097413058.db2.gz LTKVCXJPMYPTEP-DOTOQJQBSA-N 2 1 302.466 3.231 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197881 1097417339 /nfs/dbraw/zinc/41/73/39/1097417339.db2.gz JUWHHQJIQNBUDS-IAGOWNOFSA-N 2 1 302.393 3.110 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001173440067 1097439468 /nfs/dbraw/zinc/43/94/68/1097439468.db2.gz CSQGHAGCADDNFR-SJORKVTESA-N 2 1 320.477 3.205 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCCCC(=O)OC)CC1 ZINC001173460378 1097453046 /nfs/dbraw/zinc/45/30/46/1097453046.db2.gz WYFJEBHTAFMUHH-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CC[C@@H](C)c1nn(C)cc1CN1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277451455 1097465133 /nfs/dbraw/zinc/46/51/33/1097465133.db2.gz BFDGUPLCHROFTP-VQIMIIECSA-N 2 1 318.509 3.241 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173629556 1097476667 /nfs/dbraw/zinc/47/66/67/1097476667.db2.gz AYDUTSUGJVFLEL-YESZJQIVSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173629556 1097476671 /nfs/dbraw/zinc/47/66/71/1097476671.db2.gz AYDUTSUGJVFLEL-YESZJQIVSA-N 2 1 322.493 3.105 20 0 DGADMP CC(=O)Oc1ccc(C2CCC([N@H+](C)C[C@@H](C)C[NH3+])CC2)cc1 ZINC001173785749 1097513164 /nfs/dbraw/zinc/51/31/64/1097513164.db2.gz HHYFSTMAAQKVQO-NXVRBGIVSA-N 2 1 318.461 3.165 20 0 DGADMP COCC[N@@H+](Cc1cc(C)c(C)cc1C)C1CCN(C)CC1 ZINC001231484149 1097758968 /nfs/dbraw/zinc/75/89/68/1097758968.db2.gz GNSXWVMUKPGBTB-UHFFFAOYSA-N 2 1 304.478 3.154 20 0 DGADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881984 1097861881 /nfs/dbraw/zinc/86/18/81/1097861881.db2.gz NFTFGNTYVNWNNB-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP Cc1cc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cnc1F ZINC001231926333 1097893311 /nfs/dbraw/zinc/89/33/11/1097893311.db2.gz UBAQNSQEFDXHMD-DLBZAZTESA-N 2 1 305.441 3.368 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccnc(Cl)c4c3)C[C@@H]2C1 ZINC001231978024 1097906495 /nfs/dbraw/zinc/90/64/95/1097906495.db2.gz CGIGHWJLEBAVMP-CVEARBPZSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccnc(Cl)c4c3)C[C@@H]2C1 ZINC001231978024 1097906496 /nfs/dbraw/zinc/90/64/96/1097906496.db2.gz CGIGHWJLEBAVMP-CVEARBPZSA-N 2 1 315.848 3.272 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232016589 1097917756 /nfs/dbraw/zinc/91/77/56/1097917756.db2.gz CXONQLCZNITXDA-UHFFFAOYSA-N 2 1 309.413 3.336 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001232146364 1097949517 /nfs/dbraw/zinc/94/95/17/1097949517.db2.gz OGSKICQDCVXXKH-AWEZNQCLSA-N 2 1 300.368 3.364 20 0 DGADMP COCC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147691 1097950521 /nfs/dbraw/zinc/95/05/21/1097950521.db2.gz SEWYBTBUIGSIID-GOSISDBHSA-N 2 1 308.441 3.278 20 0 DGADMP Cn1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(C2CC2)n1 ZINC001232175108 1097957849 /nfs/dbraw/zinc/95/78/49/1097957849.db2.gz WFRISAZNFSPKJQ-ROUUACIJSA-N 2 1 316.493 3.136 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(C2CC2)n1 ZINC001232175108 1097957857 /nfs/dbraw/zinc/95/78/57/1097957857.db2.gz WFRISAZNFSPKJQ-ROUUACIJSA-N 2 1 316.493 3.136 20 0 DGADMP Cn1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(C2CC2)n1 ZINC001232175108 1097957861 /nfs/dbraw/zinc/95/78/61/1097957861.db2.gz WFRISAZNFSPKJQ-ROUUACIJSA-N 2 1 316.493 3.136 20 0 DGADMP Cn1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(C2CC2)n1 ZINC001232175108 1097957867 /nfs/dbraw/zinc/95/78/67/1097957867.db2.gz WFRISAZNFSPKJQ-ROUUACIJSA-N 2 1 316.493 3.136 20 0 DGADMP CC(C)(C)c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC001232213265 1097968973 /nfs/dbraw/zinc/96/89/73/1097968973.db2.gz SCDLCUHFVYLVGN-UHFFFAOYSA-N 2 1 310.445 3.096 20 0 DGADMP CSc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC001232348447 1098010394 /nfs/dbraw/zinc/01/03/94/1098010394.db2.gz RFCXRGDKZONLTQ-UHFFFAOYSA-N 2 1 305.491 3.030 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)O2)CC1 ZINC001175352498 1098022387 /nfs/dbraw/zinc/02/23/87/1098022387.db2.gz PRTMMAKITORLBR-ROUUACIJSA-N 2 1 324.509 3.114 20 0 DGADMP CC[N@H+](Cc1cc(OC)ccc1OC(C)C)C1CCN(C)CC1 ZINC001232393257 1098024310 /nfs/dbraw/zinc/02/43/10/1098024310.db2.gz XAYCFJTWUHZBQB-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C1CCN(C)CC1 ZINC001232393257 1098024316 /nfs/dbraw/zinc/02/43/16/1098024316.db2.gz XAYCFJTWUHZBQB-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001175643768 1098112956 /nfs/dbraw/zinc/11/29/56/1098112956.db2.gz GJRUQBLTVMGKKB-JKSUJKDBSA-N 2 1 322.497 3.043 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735300 1098123459 /nfs/dbraw/zinc/12/34/59/1098123459.db2.gz RVOAYQLUZWLUDG-KRWDZBQOSA-N 2 1 303.837 3.349 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)cc(O)c2)CC1 ZINC001232880260 1098160849 /nfs/dbraw/zinc/16/08/49/1098160849.db2.gz HKWGDWYLWMMRIM-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(c3c[nH+]cn3C)C2)C1 ZINC001277765779 1098232151 /nfs/dbraw/zinc/23/21/51/1098232151.db2.gz QZLCNXYCMAZMCZ-INIZCTEOSA-N 2 1 304.482 3.149 20 0 DGADMP Cc1c(Br)ccc(C[N@@H+](C)CCC[NH+](C)C)c1C ZINC001233219109 1098252805 /nfs/dbraw/zinc/25/28/05/1098252805.db2.gz MGSRYNXTHONRGI-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP Cc1c(Br)ccc(C[N@H+](C)CCC[NH+](C)C)c1C ZINC001233219109 1098252810 /nfs/dbraw/zinc/25/28/10/1098252810.db2.gz MGSRYNXTHONRGI-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176286817 1098301285 /nfs/dbraw/zinc/30/12/85/1098301285.db2.gz YKIGETJHJSLBBT-QGZVFWFLSA-N 2 1 323.525 3.093 20 0 DGADMP Cc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)sc1C ZINC001233693361 1098409812 /nfs/dbraw/zinc/40/98/12/1098409812.db2.gz VHUSGYDPVFLULM-UHFFFAOYSA-N 2 1 322.518 3.440 20 0 DGADMP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)sc1C ZINC001233693361 1098409814 /nfs/dbraw/zinc/40/98/14/1098409814.db2.gz VHUSGYDPVFLULM-UHFFFAOYSA-N 2 1 322.518 3.440 20 0 DGADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001234245388 1098521764 /nfs/dbraw/zinc/52/17/64/1098521764.db2.gz XLDFYBWJMGHKHG-OAHLLOKOSA-N 2 1 324.440 3.148 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC001177554244 1098547555 /nfs/dbraw/zinc/54/75/55/1098547555.db2.gz RSLPDWLBNAUYFB-UHFFFAOYSA-N 2 1 314.820 3.491 20 0 DGADMP COc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(OC(C)C)c1 ZINC001234721123 1098654190 /nfs/dbraw/zinc/65/41/90/1098654190.db2.gz VFNIWQGCLNDHAH-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP CCc1ccccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001177972850 1098679780 /nfs/dbraw/zinc/67/97/80/1098679780.db2.gz ZEKCVGRDGONTHP-UHFFFAOYSA-N 2 1 304.478 3.228 20 0 DGADMP COc1ccccc1Oc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234979358 1098732272 /nfs/dbraw/zinc/73/22/72/1098732272.db2.gz DRZHXRWKNYVNKO-CALCHBBNSA-N 2 1 324.424 3.139 20 0 DGADMP COc1ccccc1Oc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234979358 1098732280 /nfs/dbraw/zinc/73/22/80/1098732280.db2.gz DRZHXRWKNYVNKO-CALCHBBNSA-N 2 1 324.424 3.139 20 0 DGADMP Clc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC001234982600 1098733842 /nfs/dbraw/zinc/73/38/42/1098733842.db2.gz VSXYVLOJKYXNML-IYBDPMFKSA-N 2 1 313.832 3.053 20 0 DGADMP Fc1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC001234980066 1098733923 /nfs/dbraw/zinc/73/39/23/1098733923.db2.gz HDRUIHYUUYVIHW-GASCZTMLSA-N 2 1 314.379 3.283 20 0 DGADMP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC001234980066 1098733932 /nfs/dbraw/zinc/73/39/32/1098733932.db2.gz HDRUIHYUUYVIHW-GASCZTMLSA-N 2 1 314.379 3.283 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995337 1098739081 /nfs/dbraw/zinc/73/90/81/1098739081.db2.gz ZYWWUJBVQQYEEV-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995337 1098739088 /nfs/dbraw/zinc/73/90/88/1098739088.db2.gz ZYWWUJBVQQYEEV-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC001235001111 1098744812 /nfs/dbraw/zinc/74/48/12/1098744812.db2.gz SPJRLAZROONRGM-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC001235001111 1098744821 /nfs/dbraw/zinc/74/48/21/1098744821.db2.gz SPJRLAZROONRGM-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP c1ccc2cc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008820 1098749325 /nfs/dbraw/zinc/74/93/25/1098749325.db2.gz VMPDOCCYKHTRFP-FQEVSTJZSA-N 2 1 310.441 3.042 20 0 DGADMP c1ccc2cc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008820 1098749336 /nfs/dbraw/zinc/74/93/36/1098749336.db2.gz VMPDOCCYKHTRFP-FQEVSTJZSA-N 2 1 310.441 3.042 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235009324 1098751030 /nfs/dbraw/zinc/75/10/30/1098751030.db2.gz ZCRKQCCUFKMRAF-MOPGFXCFSA-N 2 1 308.510 3.461 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001178249727 1098754645 /nfs/dbraw/zinc/75/46/45/1098754645.db2.gz SMCWZQLSBSXNIH-INIZCTEOSA-N 2 1 321.484 3.349 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001178249727 1098754653 /nfs/dbraw/zinc/75/46/53/1098754653.db2.gz SMCWZQLSBSXNIH-INIZCTEOSA-N 2 1 321.484 3.349 20 0 DGADMP CC(C)c1ccccc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235020502 1098755080 /nfs/dbraw/zinc/75/50/80/1098755080.db2.gz DIKHNHVZAMSKFE-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235020502 1098755086 /nfs/dbraw/zinc/75/50/86/1098755086.db2.gz DIKHNHVZAMSKFE-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027207 1098757537 /nfs/dbraw/zinc/75/75/37/1098757537.db2.gz XGYKBBBVOWCNHW-VDZJLULYSA-N 2 1 300.490 3.456 20 0 DGADMP Brc1ccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235031669 1098759712 /nfs/dbraw/zinc/75/97/12/1098759712.db2.gz NNLUDFVHWHWXRS-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033537 1098761084 /nfs/dbraw/zinc/76/10/84/1098761084.db2.gz PVMLBENEPJHTOC-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042195 1098770229 /nfs/dbraw/zinc/77/02/29/1098770229.db2.gz VYXRTTVPWMPHBS-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP FC1(F)Oc2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)cc2O1 ZINC001235048619 1098774826 /nfs/dbraw/zinc/77/48/26/1098774826.db2.gz YZADPLCIKRLEBT-INIZCTEOSA-N 2 1 324.371 3.116 20 0 DGADMP FC1(F)Oc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)cc2O1 ZINC001235048619 1098774840 /nfs/dbraw/zinc/77/48/40/1098774840.db2.gz YZADPLCIKRLEBT-INIZCTEOSA-N 2 1 324.371 3.116 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235078392 1098787576 /nfs/dbraw/zinc/78/75/76/1098787576.db2.gz UFROWUVDNPDBJX-KZNAEPCWSA-N 2 1 306.494 3.090 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235078392 1098787589 /nfs/dbraw/zinc/78/75/89/1098787589.db2.gz UFROWUVDNPDBJX-KZNAEPCWSA-N 2 1 306.494 3.090 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC001235092177 1098793819 /nfs/dbraw/zinc/79/38/19/1098793819.db2.gz GWLKLKHXHXGPRY-UHFFFAOYSA-N 2 1 316.470 3.485 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235092255 1098796575 /nfs/dbraw/zinc/79/65/75/1098796575.db2.gz JOYICEXSKLZCFJ-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP Brc1ccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110769 1098810656 /nfs/dbraw/zinc/81/06/56/1098810656.db2.gz MEWFEHGYQBUFTQ-INIZCTEOSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1ccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110769 1098810669 /nfs/dbraw/zinc/81/06/69/1098810669.db2.gz MEWFEHGYQBUFTQ-INIZCTEOSA-N 2 1 323.278 3.210 20 0 DGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235117272 1098818521 /nfs/dbraw/zinc/81/85/21/1098818521.db2.gz ZSWXKTMILMMZSK-SFHVURJKSA-N 2 1 316.470 3.164 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(Oc4cccnc4)cc3)C2)C1 ZINC001235117211 1098819324 /nfs/dbraw/zinc/81/93/24/1098819324.db2.gz WVRMUTDYBNISSN-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4cccnc4)cc3)C2)C1 ZINC001235117211 1098819336 /nfs/dbraw/zinc/81/93/36/1098819336.db2.gz WVRMUTDYBNISSN-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4cccnc4)cc3)C2)C1 ZINC001235117211 1098819352 /nfs/dbraw/zinc/81/93/52/1098819352.db2.gz WVRMUTDYBNISSN-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235153457 1098838842 /nfs/dbraw/zinc/83/88/42/1098838842.db2.gz KEXRJLJZUBIBCF-INIZCTEOSA-N 2 1 312.379 3.458 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(C)c1O ZINC001235152736 1098840337 /nfs/dbraw/zinc/84/03/37/1098840337.db2.gz IIMRTDVWPUIACJ-SFHVURJKSA-N 2 1 302.462 3.363 20 0 DGADMP Fc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1F ZINC001235154440 1098840566 /nfs/dbraw/zinc/84/05/66/1098840566.db2.gz LVJVSTSCNPSGQE-HNNXBMFYSA-N 2 1 312.379 3.458 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155520 1098841823 /nfs/dbraw/zinc/84/18/23/1098841823.db2.gz LGGDOJLTCYQWSG-SFHVURJKSA-N 2 1 320.452 3.497 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Cl)cn1 ZINC001235156918 1098841846 /nfs/dbraw/zinc/84/18/46/1098841846.db2.gz NVPZMQIQZIBCEJ-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC001235154675 1098842079 /nfs/dbraw/zinc/84/20/79/1098842079.db2.gz ADBPZYGADAZLBN-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1F ZINC001235155724 1098842279 /nfs/dbraw/zinc/84/22/79/1098842279.db2.gz DVYLUGPHQIHNLH-OAHLLOKOSA-N 2 1 324.415 3.328 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235161717 1098847597 /nfs/dbraw/zinc/84/75/97/1098847597.db2.gz UPKXQAPAFXXFQL-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001235187440 1098865752 /nfs/dbraw/zinc/86/57/52/1098865752.db2.gz ZGTJKUSNKXWRKO-OTWHNJEPSA-N 2 1 320.521 3.195 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189874 1098866968 /nfs/dbraw/zinc/86/69/68/1098866968.db2.gz GGHWHXOMNSVMFK-UHFFFAOYSA-N 2 1 310.388 3.396 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190627 1098867850 /nfs/dbraw/zinc/86/78/50/1098867850.db2.gz GNZCMDYCGDBVDW-UHFFFAOYSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190627 1098867862 /nfs/dbraw/zinc/86/78/62/1098867862.db2.gz GNZCMDYCGDBVDW-UHFFFAOYSA-N 2 1 306.425 3.333 20 0 DGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001178561996 1098872442 /nfs/dbraw/zinc/87/24/42/1098872442.db2.gz YTLHGXWNACXKQX-ZWKOTPCHSA-N 2 1 309.542 3.207 20 0 DGADMP Fc1cncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235236983 1098909733 /nfs/dbraw/zinc/90/97/33/1098909733.db2.gz IJKPSEJVQWYAJH-OAHLLOKOSA-N 2 1 311.832 3.228 20 0 DGADMP COc1c(F)ccc(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243716 1098915484 /nfs/dbraw/zinc/91/54/84/1098915484.db2.gz XQHOZBZTTRYPJQ-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP Oc1ccc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235241263 1098915594 /nfs/dbraw/zinc/91/55/94/1098915594.db2.gz NTYCQHSXHQBAPU-OAHLLOKOSA-N 2 1 310.388 3.025 20 0 DGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3CC2CCSCC2)cc1 ZINC001235247694 1098919554 /nfs/dbraw/zinc/91/95/54/1098919554.db2.gz HEPNZCRCGGXSEJ-RTBURBONSA-N 2 1 316.514 3.351 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235247311 1098920724 /nfs/dbraw/zinc/92/07/24/1098920724.db2.gz FUHNLGLNSKSNCQ-VQIMIIECSA-N 2 1 302.462 3.404 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235247311 1098920731 /nfs/dbraw/zinc/92/07/31/1098920731.db2.gz FUHNLGLNSKSNCQ-VQIMIIECSA-N 2 1 302.462 3.404 20 0 DGADMP CCC(=O)C(C)(C)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248654 1098923189 /nfs/dbraw/zinc/92/31/89/1098923189.db2.gz XTNSJBHVZBZZQN-YLJYHZDGSA-N 2 1 314.473 3.213 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248654 1098923197 /nfs/dbraw/zinc/92/31/97/1098923197.db2.gz XTNSJBHVZBZZQN-YLJYHZDGSA-N 2 1 314.473 3.213 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235254310 1098924281 /nfs/dbraw/zinc/92/42/81/1098924281.db2.gz HYWAZCDTERXRCM-GDBMZVCRSA-N 2 1 312.379 3.322 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265710 1098937089 /nfs/dbraw/zinc/93/70/89/1098937089.db2.gz DNCFBPYAMDJUMS-ZFWWWQNUSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265710 1098937095 /nfs/dbraw/zinc/93/70/95/1098937095.db2.gz DNCFBPYAMDJUMS-ZFWWWQNUSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235271972 1098939231 /nfs/dbraw/zinc/93/92/31/1098939231.db2.gz PPNJISFFAXBARH-HIFRSBDPSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235271972 1098939236 /nfs/dbraw/zinc/93/92/36/1098939236.db2.gz PPNJISFFAXBARH-HIFRSBDPSA-N 2 1 314.351 3.077 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001235273295 1098939780 /nfs/dbraw/zinc/93/97/80/1098939780.db2.gz RFLGCCPQEBNVAE-UYAOXDASSA-N 2 1 309.457 3.090 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)c2)cc1 ZINC001235338808 1098961792 /nfs/dbraw/zinc/96/17/92/1098961792.db2.gz CJSMLZCWSHICJB-IBGZPJMESA-N 2 1 322.452 3.404 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338626 1098961878 /nfs/dbraw/zinc/96/18/78/1098961878.db2.gz BMAQCWVEYKXMFT-MRXNPFEDSA-N 2 1 302.462 3.132 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338622 1098962324 /nfs/dbraw/zinc/96/23/24/1098962324.db2.gz BMAQCWVEYKXMFT-INIZCTEOSA-N 2 1 302.462 3.132 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235338389 1098963037 /nfs/dbraw/zinc/96/30/37/1098963037.db2.gz ADGOKMHQGRXGJI-GFCCVEGCSA-N 2 1 316.392 3.340 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1Cl ZINC001235339062 1098963216 /nfs/dbraw/zinc/96/32/16/1098963216.db2.gz GZWINHVQXGRJDF-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235341101 1098963953 /nfs/dbraw/zinc/96/39/53/1098963953.db2.gz NMUCQFXVQDRZEX-LBPRGKRZSA-N 2 1 316.392 3.340 20 0 DGADMP Fc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(F)c1Cl ZINC001235340940 1098963970 /nfs/dbraw/zinc/96/39/70/1098963970.db2.gz WCVMGTWYWKUZFJ-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235340735 1098964606 /nfs/dbraw/zinc/96/46/06/1098964606.db2.gz LRXJHJWOZRCIQP-IBGZPJMESA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(OCC[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235348560 1098970177 /nfs/dbraw/zinc/97/01/77/1098970177.db2.gz GZUFBFMREJGYQB-NHCUHLMSSA-N 2 1 322.452 3.145 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(C)n1 ZINC001235354861 1098975464 /nfs/dbraw/zinc/97/54/64/1098975464.db2.gz KFEWERGRNCTPLN-NHCUHLMSSA-N 2 1 321.468 3.278 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(C)n1 ZINC001235354861 1098975471 /nfs/dbraw/zinc/97/54/71/1098975471.db2.gz KFEWERGRNCTPLN-NHCUHLMSSA-N 2 1 321.468 3.278 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369307 1098983169 /nfs/dbraw/zinc/98/31/69/1098983169.db2.gz YGWHWYHTRHPJMX-QUCCMNQESA-N 2 1 316.489 3.055 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)o1 ZINC001235369398 1098983377 /nfs/dbraw/zinc/98/33/77/1098983377.db2.gz YNXTXMGNOPLYBJ-UYAOXDASSA-N 2 1 310.441 3.341 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)o1 ZINC001235369398 1098983386 /nfs/dbraw/zinc/98/33/86/1098983386.db2.gz YNXTXMGNOPLYBJ-UYAOXDASSA-N 2 1 310.441 3.341 20 0 DGADMP CNc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235376284 1098985430 /nfs/dbraw/zinc/98/54/30/1098985430.db2.gz WGORMUHDOLYRDL-RTWAWAEBSA-N 2 1 321.468 3.307 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235379203 1098988111 /nfs/dbraw/zinc/98/81/11/1098988111.db2.gz MIJYLKODTLJFOM-RTWAWAEBSA-N 2 1 322.452 3.274 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001235406101 1099000654 /nfs/dbraw/zinc/00/06/54/1099000654.db2.gz PUXFHDKSPJYVRG-IRXDYDNUSA-N 2 1 304.434 3.425 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403745 1099003106 /nfs/dbraw/zinc/00/31/06/1099003106.db2.gz LJBJZOMVTGSRJL-OALUTQOASA-N 2 1 314.404 3.470 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403745 1099003120 /nfs/dbraw/zinc/00/31/20/1099003120.db2.gz LJBJZOMVTGSRJL-OALUTQOASA-N 2 1 314.404 3.470 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235409202 1099004494 /nfs/dbraw/zinc/00/44/94/1099004494.db2.gz WFSRQCCRUAHURZ-MOPGFXCFSA-N 2 1 315.436 3.185 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)NCCC2 ZINC001235420721 1099012155 /nfs/dbraw/zinc/01/21/55/1099012155.db2.gz AMUSPLOGDHTPJD-RTBURBONSA-N 2 1 313.489 3.256 20 0 DGADMP Fc1cccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235422293 1099013021 /nfs/dbraw/zinc/01/30/21/1099013021.db2.gz BCFDAAJUFXATHI-ZWKOTPCHSA-N 2 1 304.453 3.470 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235420826 1099014663 /nfs/dbraw/zinc/01/46/63/1099014663.db2.gz BHTPFPGARQUBSS-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425314 1099017426 /nfs/dbraw/zinc/01/74/26/1099017426.db2.gz ITTQLCORIBAJEB-CVEARBPZSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425314 1099017433 /nfs/dbraw/zinc/01/74/33/1099017433.db2.gz ITTQLCORIBAJEB-CVEARBPZSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425314 1099017446 /nfs/dbraw/zinc/01/74/46/1099017446.db2.gz ITTQLCORIBAJEB-CVEARBPZSA-N 2 1 312.461 3.083 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)OCc1ccccc1 ZINC001235424014 1099017575 /nfs/dbraw/zinc/01/75/75/1099017575.db2.gz IOJQCHYEEFQDQL-SXLOBPIMSA-N 2 1 316.489 3.303 20 0 DGADMP Fc1cc(F)c(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425643 1099019225 /nfs/dbraw/zinc/01/92/25/1099019225.db2.gz MEHNCFVGNIEHSN-STQMWFEESA-N 2 1 312.379 3.316 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429150 1099021477 /nfs/dbraw/zinc/02/14/77/1099021477.db2.gz POLARPXHJMUDIE-IRXDYDNUSA-N 2 1 302.462 3.221 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ncc1Cl ZINC001235428166 1099022499 /nfs/dbraw/zinc/02/24/99/1099022499.db2.gz PFAUIHJINFIESX-HUUCEWRRSA-N 2 1 307.869 3.255 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429849 1099024119 /nfs/dbraw/zinc/02/41/19/1099024119.db2.gz RQGYCKGGDSZUTF-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cnc1C1CC1 ZINC001235430191 1099024989 /nfs/dbraw/zinc/02/49/89/1099024989.db2.gz GPBGGQPCPJTXJZ-RBUKOAKNSA-N 2 1 313.489 3.479 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(C)c1O ZINC001235429737 1099025737 /nfs/dbraw/zinc/02/57/37/1099025737.db2.gz REUJRZIADPKJGZ-MSOLQXFVSA-N 2 1 302.462 3.221 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235429778 1099026066 /nfs/dbraw/zinc/02/60/66/1099026066.db2.gz RJSINGHVWFFGLQ-QWHCGFSZSA-N 2 1 312.379 3.316 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431224 1099028866 /nfs/dbraw/zinc/02/88/66/1099028866.db2.gz MUGCXXRYJYVNEI-YESZJQIVSA-N 2 1 318.509 3.145 20 0 DGADMP C[N@H+](Cc1cc(OC(F)(F)F)ccc1F)CC1CC[NH2+]CC1 ZINC001235433812 1099030223 /nfs/dbraw/zinc/03/02/23/1099030223.db2.gz ROVQCCOGONWRLA-UHFFFAOYSA-N 2 1 320.330 3.156 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433648 1099032119 /nfs/dbraw/zinc/03/21/19/1099032119.db2.gz RCWRRDOLVNPPSW-UHFFFAOYSA-N 2 1 312.498 3.212 20 0 DGADMP CN(c1ccc(C[N@@H+](C)CCC[NH3+])cc1)c1ccccc1F ZINC001235435590 1099033228 /nfs/dbraw/zinc/03/32/28/1099033228.db2.gz RGBNKVYIDKYRJA-UHFFFAOYSA-N 2 1 301.409 3.374 20 0 DGADMP CSc1ncc(C)cc1CN1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277948363 1099061993 /nfs/dbraw/zinc/06/19/93/1099061993.db2.gz CMXMZJNJXDGQTD-SFHVURJKSA-N 2 1 319.518 3.420 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CCCC[NH3+])C[C@@H]21 ZINC001235562071 1099086326 /nfs/dbraw/zinc/08/63/26/1099086326.db2.gz WKSCIRARSLDRKZ-RYQLBKOJSA-N 2 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562071 1099086337 /nfs/dbraw/zinc/08/63/37/1099086337.db2.gz WKSCIRARSLDRKZ-RYQLBKOJSA-N 3 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562071 1099086350 /nfs/dbraw/zinc/08/63/50/1099086350.db2.gz WKSCIRARSLDRKZ-RYQLBKOJSA-N 3 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562071 1099086364 /nfs/dbraw/zinc/08/63/64/1099086364.db2.gz WKSCIRARSLDRKZ-RYQLBKOJSA-N 2 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562071 1099086376 /nfs/dbraw/zinc/08/63/76/1099086376.db2.gz WKSCIRARSLDRKZ-RYQLBKOJSA-N 2 1 321.534 3.019 20 0 DGADMP C(C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1)[C@H]1CCCC[NH2+]1 ZINC001235595561 1099096629 /nfs/dbraw/zinc/09/66/29/1099096629.db2.gz XJRSWOLDFRMGCA-YRXWBPOGSA-N 2 1 306.494 3.046 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cccn2C(=O)OC(C)(C)C)CC1 ZINC001235630630 1099103582 /nfs/dbraw/zinc/10/35/82/1099103582.db2.gz LOLVCDQBMHACKW-UHFFFAOYSA-N 2 1 321.465 3.045 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235673117 1099116880 /nfs/dbraw/zinc/11/68/80/1099116880.db2.gz BMEXXQXFEFNACW-FQEVSTJZSA-N 2 1 322.452 3.294 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235688619 1099129285 /nfs/dbraw/zinc/12/92/85/1099129285.db2.gz SENWSTNFFDYUAP-PKOBYXMFSA-N 2 1 302.462 3.228 20 0 DGADMP C(C[NH2+]C1CCCCC1)CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703474 1099137795 /nfs/dbraw/zinc/13/77/95/1099137795.db2.gz UARQNYWAFQTILF-UHFFFAOYSA-N 2 1 307.526 3.010 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)CCC3CC[NH2+]CC3)cc2c1 ZINC001235715156 1099142128 /nfs/dbraw/zinc/14/21/28/1099142128.db2.gz QCPPBDHKAMCQRX-UHFFFAOYSA-N 2 1 302.418 3.263 20 0 DGADMP CCCCOc1ncc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1C ZINC001235717902 1099143387 /nfs/dbraw/zinc/14/33/87/1099143387.db2.gz OXVYTYKMLCATFG-UHFFFAOYSA-N 2 1 319.493 3.390 20 0 DGADMP COc1c(F)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1Cl ZINC001235716401 1099144048 /nfs/dbraw/zinc/14/40/48/1099144048.db2.gz AFJCOQLRRVIEAD-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)CCCCCC[NH3+] ZINC001235719144 1099146347 /nfs/dbraw/zinc/14/63/47/1099146347.db2.gz SHXSIJBSRMRIPH-AZUAARDMSA-N 2 1 317.521 3.348 20 0 DGADMP CC1([NH3+])CC[NH+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001235748099 1099163625 /nfs/dbraw/zinc/16/36/25/1099163625.db2.gz IOZVZWCQQYBKAL-UHFFFAOYSA-N 2 1 320.330 3.237 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1C)C1CC[NH2+]CC1 ZINC001235759811 1099167567 /nfs/dbraw/zinc/16/75/67/1099167567.db2.gz AGGCHMKFNYQPMI-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP CC(C)[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179741721 1099178299 /nfs/dbraw/zinc/17/82/99/1099178299.db2.gz MUORHMCQRRLAAC-UHFFFAOYSA-N 2 1 322.497 3.071 20 0 DGADMP COCCC[N@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001235810069 1099190639 /nfs/dbraw/zinc/19/06/39/1099190639.db2.gz MKLQTGSOWYCEEI-MRXNPFEDSA-N 2 1 318.486 3.492 20 0 DGADMP COCCC[N@@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001235810069 1099190645 /nfs/dbraw/zinc/19/06/45/1099190645.db2.gz MKLQTGSOWYCEEI-MRXNPFEDSA-N 2 1 318.486 3.492 20 0 DGADMP CC1(C[N@H+]2CCc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC001235820122 1099195869 /nfs/dbraw/zinc/19/58/69/1099195869.db2.gz ZVKMWWAGHKFISK-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCc1ccccc1Cl ZINC001235839453 1099202706 /nfs/dbraw/zinc/20/27/06/1099202706.db2.gz SJKDXEJSOPQKDN-JSGCOSHPSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCc1ccccc1Cl ZINC001235839453 1099202709 /nfs/dbraw/zinc/20/27/09/1099202709.db2.gz SJKDXEJSOPQKDN-JSGCOSHPSA-N 2 1 316.823 3.305 20 0 DGADMP Cc1cccc(CC[N@H+](C)Cc2ccccc2N2CC[NH2+]CC2)c1 ZINC001235838737 1099202759 /nfs/dbraw/zinc/20/27/59/1099202759.db2.gz BKCHJXSVRQALLQ-UHFFFAOYSA-N 2 1 323.484 3.079 20 0 DGADMP Cc1ccc(CC[N@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235840609 1099202852 /nfs/dbraw/zinc/20/28/52/1099202852.db2.gz QMVHJMDJMIJBPZ-UHFFFAOYSA-N 2 1 323.484 3.079 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001235841743 1099204031 /nfs/dbraw/zinc/20/40/31/1099204031.db2.gz IOIJQDDIPPAAMA-JTQLQIEISA-N 2 1 306.759 3.400 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001235841743 1099204039 /nfs/dbraw/zinc/20/40/39/1099204039.db2.gz IOIJQDDIPPAAMA-JTQLQIEISA-N 2 1 306.759 3.400 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC001235841298 1099204480 /nfs/dbraw/zinc/20/44/80/1099204480.db2.gz DHYPQKIHFWAKCD-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC001235841297 1099204726 /nfs/dbraw/zinc/20/47/26/1099204726.db2.gz DHYPQKIHFWAKCD-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)c2)cc1 ZINC001235842866 1099206647 /nfs/dbraw/zinc/20/66/47/1099206647.db2.gz SFFBQUPNUZMJHZ-KRWDZBQOSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001235842909 1099207128 /nfs/dbraw/zinc/20/71/28/1099207128.db2.gz UAJCOXOWNUCAAN-QGZVFWFLSA-N 2 1 310.441 3.404 20 0 DGADMP CCCCn1nc(C)c(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1Cl ZINC001179816535 1099212207 /nfs/dbraw/zinc/21/22/07/1099212207.db2.gz MEDNWOUQLBOJRV-NUEKZKHPSA-N 2 1 324.900 3.075 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccccc3OC3CCCC3)[C@@H]2C1 ZINC001179815543 1099212470 /nfs/dbraw/zinc/21/24/70/1099212470.db2.gz HTAKKRPMTXCJSB-QXAKKESOSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@@H]2C1 ZINC001179815543 1099212480 /nfs/dbraw/zinc/21/24/80/1099212480.db2.gz HTAKKRPMTXCJSB-QXAKKESOSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@@H]2C1 ZINC001179815543 1099212488 /nfs/dbraw/zinc/21/24/88/1099212488.db2.gz HTAKKRPMTXCJSB-QXAKKESOSA-N 2 1 314.473 3.438 20 0 DGADMP CC1(C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC001235865371 1099226905 /nfs/dbraw/zinc/22/69/05/1099226905.db2.gz OOVYUVVMHVHVRM-MRXNPFEDSA-N 2 1 308.466 3.305 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Cc3ccccc3F)CC2)CO1 ZINC001235868234 1099227301 /nfs/dbraw/zinc/22/73/01/1099227301.db2.gz WAUVUXJPRPQKHK-KRWDZBQOSA-N 2 1 320.452 3.195 20 0 DGADMP Brc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235882582 1099231805 /nfs/dbraw/zinc/23/18/05/1099231805.db2.gz OGANTCQBVBXYGS-ZFWWWQNUSA-N 2 1 323.278 3.238 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001235925296 1099261782 /nfs/dbraw/zinc/26/17/82/1099261782.db2.gz GBAUEMUDHCAVIY-NSHDSACASA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001235925296 1099261791 /nfs/dbraw/zinc/26/17/91/1099261791.db2.gz GBAUEMUDHCAVIY-NSHDSACASA-N 2 1 322.250 3.244 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925203 1099261969 /nfs/dbraw/zinc/26/19/69/1099261969.db2.gz DZHHCCVIKMFVAW-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925203 1099261973 /nfs/dbraw/zinc/26/19/73/1099261973.db2.gz DZHHCCVIKMFVAW-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235929753 1099264748 /nfs/dbraw/zinc/26/47/48/1099264748.db2.gz RWCXBIHFXMAMPN-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935442 1099269613 /nfs/dbraw/zinc/26/96/13/1099269613.db2.gz DPIYMJOAZDCMDX-PWSUYJOCSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935442 1099269620 /nfs/dbraw/zinc/26/96/20/1099269620.db2.gz DPIYMJOAZDCMDX-PWSUYJOCSA-N 2 1 318.770 3.400 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935765 1099269891 /nfs/dbraw/zinc/26/98/91/1099269891.db2.gz WTJDCCTXFIAWFQ-XNRPHZJLSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935765 1099269901 /nfs/dbraw/zinc/26/99/01/1099269901.db2.gz WTJDCCTXFIAWFQ-XNRPHZJLSA-N 2 1 312.379 3.106 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235936539 1099270326 /nfs/dbraw/zinc/27/03/26/1099270326.db2.gz LFUFDLUEIZSTSJ-DLBZAZTESA-N 2 1 324.424 3.226 20 0 DGADMP Clc1ccc2c(c1)CC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235940018 1099274755 /nfs/dbraw/zinc/27/47/55/1099274755.db2.gz NDNLAECTZSIVKI-UHFFFAOYSA-N 2 1 304.865 3.478 20 0 DGADMP COCC[N@@H+](Cc1ccc(C)c2ccccc12)C1CC[NH2+]CC1 ZINC001235946678 1099278036 /nfs/dbraw/zinc/27/80/36/1099278036.db2.gz OZXMWMFMMURXPR-UHFFFAOYSA-N 2 1 312.457 3.349 20 0 DGADMP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235956228 1099287562 /nfs/dbraw/zinc/28/75/62/1099287562.db2.gz AWAQXFHLVPIJRW-INIZCTEOSA-N 2 1 318.461 3.073 20 0 DGADMP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235956228 1099287570 /nfs/dbraw/zinc/28/75/70/1099287570.db2.gz AWAQXFHLVPIJRW-INIZCTEOSA-N 2 1 318.461 3.073 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235958882 1099291497 /nfs/dbraw/zinc/29/14/97/1099291497.db2.gz KVKOXZIGPKFWSF-MIFYACCESA-N 2 1 312.379 3.307 20 0 DGADMP CCc1ccc(C[N@@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235958934 1099291609 /nfs/dbraw/zinc/29/16/09/1099291609.db2.gz BYJQUKZXBAPUBV-UHFFFAOYSA-N 2 1 323.484 3.291 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(O)cc3)cc1)C2 ZINC001235959160 1099291668 /nfs/dbraw/zinc/29/16/68/1099291668.db2.gz FRHVNZAGDKRNSK-OPVJXMOQSA-N 2 1 308.425 3.228 20 0 DGADMP CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235961676 1099293857 /nfs/dbraw/zinc/29/38/57/1099293857.db2.gz DSRLKMAPLMJYFF-UHFFFAOYSA-N 2 1 308.425 3.383 20 0 DGADMP CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235961676 1099293863 /nfs/dbraw/zinc/29/38/63/1099293863.db2.gz DSRLKMAPLMJYFF-UHFFFAOYSA-N 2 1 308.425 3.383 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235962687 1099294897 /nfs/dbraw/zinc/29/48/97/1099294897.db2.gz OZPBDYFQWOSKOI-CJNGLKHVSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235962687 1099294903 /nfs/dbraw/zinc/29/49/03/1099294903.db2.gz OZPBDYFQWOSKOI-CJNGLKHVSA-N 2 1 312.404 3.008 20 0 DGADMP COc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963519 1099297020 /nfs/dbraw/zinc/29/70/20/1099297020.db2.gz WEWPZEMQACZPKB-KCQAQPDRSA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963519 1099297026 /nfs/dbraw/zinc/29/70/26/1099297026.db2.gz WEWPZEMQACZPKB-KCQAQPDRSA-N 2 1 312.404 3.179 20 0 DGADMP Cc1c[nH]c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1C ZINC001235974681 1099303458 /nfs/dbraw/zinc/30/34/58/1099303458.db2.gz TXHPYTCXLOVHAL-UHFFFAOYSA-N 2 1 309.457 3.269 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235992210 1099316482 /nfs/dbraw/zinc/31/64/82/1099316482.db2.gz MNBARPNVKOBHLV-YLJYHZDGSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235992210 1099316495 /nfs/dbraw/zinc/31/64/95/1099316495.db2.gz MNBARPNVKOBHLV-YLJYHZDGSA-N 2 1 308.425 3.285 20 0 DGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001180124442 1099320757 /nfs/dbraw/zinc/32/07/57/1099320757.db2.gz WUHPUZKXZMCPLM-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP Cc1cccc(F)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008283 1099331261 /nfs/dbraw/zinc/33/12/61/1099331261.db2.gz DWPCBNIPYMXGKN-XLIONFOSSA-N 2 1 310.416 3.107 20 0 DGADMP Cc1cccc(F)c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008283 1099331272 /nfs/dbraw/zinc/33/12/72/1099331272.db2.gz DWPCBNIPYMXGKN-XLIONFOSSA-N 2 1 310.416 3.107 20 0 DGADMP CCc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008217 1099332008 /nfs/dbraw/zinc/33/20/08/1099332008.db2.gz BKJVHJDQHVSECO-RTWAWAEBSA-N 2 1 306.453 3.222 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CCC[C@@H](Cc4ccc(F)cc4)C3)(C1)C2 ZINC001236009312 1099333759 /nfs/dbraw/zinc/33/37/59/1099333759.db2.gz RHEIWSXUCFIPJD-IVMQYODDSA-N 2 1 302.437 3.352 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001236060869 1099361016 /nfs/dbraw/zinc/36/10/16/1099361016.db2.gz SHUTUANJPKMYHM-QYZOEREBSA-N 2 1 320.521 3.338 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1)c1cccc2ccccc21 ZINC001236074330 1099372298 /nfs/dbraw/zinc/37/22/98/1099372298.db2.gz XUHHJHLILPIMBE-QFBILLFUSA-N 2 1 323.484 3.051 20 0 DGADMP FC(F)(F)c1cccc2c1C[N@H+](CC1(F)CC[NH2+]CC1)CC2 ZINC001236086929 1099378220 /nfs/dbraw/zinc/37/82/20/1099378220.db2.gz YJXUUAGUYXKPCM-UHFFFAOYSA-N 2 1 316.342 3.155 20 0 DGADMP FC(F)(F)c1cccc2c1C[N@@H+](CC1(F)CC[NH2+]CC1)CC2 ZINC001236086929 1099378230 /nfs/dbraw/zinc/37/82/30/1099378230.db2.gz YJXUUAGUYXKPCM-UHFFFAOYSA-N 2 1 316.342 3.155 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)CCC[NH2+]C2CCCCC2)c1 ZINC001236086204 1099378416 /nfs/dbraw/zinc/37/84/16/1099378416.db2.gz FXPBBLLCPKJQNP-UHFFFAOYSA-N 2 1 318.461 3.217 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)CCC[NH2+]C2CCCCC2)c1 ZINC001236086204 1099378426 /nfs/dbraw/zinc/37/84/26/1099378426.db2.gz FXPBBLLCPKJQNP-UHFFFAOYSA-N 2 1 318.461 3.217 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC3(F)CC[NH2+]CC3)C2)cc1 ZINC001236092439 1099380491 /nfs/dbraw/zinc/38/04/91/1099380491.db2.gz KUVADJAHEFWEQS-QGZVFWFLSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)cc1 ZINC001236091915 1099380604 /nfs/dbraw/zinc/38/06/04/1099380604.db2.gz AGDCDRIOHCYDEX-SFHVURJKSA-N 2 1 316.489 3.339 20 0 DGADMP CC(C)[N@@H+](CCCC[NH3+])C[C@@H](O)c1ccc2ccccc2c1 ZINC001236100911 1099389140 /nfs/dbraw/zinc/38/91/40/1099389140.db2.gz KPAIYDKLVOVMSV-LJQANCHMSA-N 2 1 300.446 3.323 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236111866 1099400043 /nfs/dbraw/zinc/40/00/43/1099400043.db2.gz MLGCBTVEEPHUBT-MRXNPFEDSA-N 2 1 316.489 3.338 20 0 DGADMP Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3n2CC[NH2+]C3)c(F)c1 ZINC001236128404 1099415865 /nfs/dbraw/zinc/41/58/65/1099415865.db2.gz JYFOEWXUOJUOAF-GOSISDBHSA-N 2 1 317.383 3.207 20 0 DGADMP Fc1ccc([C@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c(F)c1 ZINC001236128404 1099415870 /nfs/dbraw/zinc/41/58/70/1099415870.db2.gz JYFOEWXUOJUOAF-GOSISDBHSA-N 2 1 317.383 3.207 20 0 DGADMP CC(C)(C)c1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236147179 1099432405 /nfs/dbraw/zinc/43/24/05/1099432405.db2.gz RULRMSDGNXFSQF-QGZVFWFLSA-N 2 1 315.505 3.106 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC001204270774 1099442730 /nfs/dbraw/zinc/44/27/30/1099442730.db2.gz ZCPDPDWXNBVTMB-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001236184825 1099454974 /nfs/dbraw/zinc/45/49/74/1099454974.db2.gz VZOVXTWQORXQNF-APHBMKBZSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001236184825 1099454978 /nfs/dbraw/zinc/45/49/78/1099454978.db2.gz VZOVXTWQORXQNF-APHBMKBZSA-N 2 1 312.379 3.453 20 0 DGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236198253 1099458438 /nfs/dbraw/zinc/45/84/38/1099458438.db2.gz ALDJTUXJEVFCCJ-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(OC)cc2OC(C)C)CC1 ZINC001236214805 1099470395 /nfs/dbraw/zinc/47/03/95/1099470395.db2.gz HFCUGHFKYANFOQ-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C1(C)CC[NH2+]CC1 ZINC001236224826 1099482033 /nfs/dbraw/zinc/48/20/33/1099482033.db2.gz XLRKRAUIUUKEGU-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP CC[N@@H+](Cc1ccc(C)cc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236244272 1099498904 /nfs/dbraw/zinc/49/89/04/1099498904.db2.gz JMSHTJUMEJCOPS-UHFFFAOYSA-N 2 1 323.484 3.427 20 0 DGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC001236252916 1099501878 /nfs/dbraw/zinc/50/18/78/1099501878.db2.gz CBYKYIXXEMIJDE-IBGZPJMESA-N 2 1 303.494 3.102 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001236304009 1099522948 /nfs/dbraw/zinc/52/29/48/1099522948.db2.gz GALLHOLYXGUISS-IBGZPJMESA-N 2 1 316.489 3.339 20 0 DGADMP Cc1c(O)cccc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300906 1099523175 /nfs/dbraw/zinc/52/31/75/1099523175.db2.gz PPFHRKUJEJIYQU-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP Cc1c(O)cccc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300906 1099523186 /nfs/dbraw/zinc/52/31/86/1099523186.db2.gz PPFHRKUJEJIYQU-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP c1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]C3)C2CC[NH2+]CC2)cc1 ZINC001236300824 1099524270 /nfs/dbraw/zinc/52/42/70/1099524270.db2.gz MQFWSIARERBPIR-UHFFFAOYSA-N 3 1 321.468 3.044 20 0 DGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C2CC[NH2+]CC2)cc1 ZINC001236300824 1099524280 /nfs/dbraw/zinc/52/42/80/1099524280.db2.gz MQFWSIARERBPIR-UHFFFAOYSA-N 3 1 321.468 3.044 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)n2)cc1 ZINC001236321905 1099536476 /nfs/dbraw/zinc/53/64/76/1099536476.db2.gz XFTRVFWYYOXYNZ-HDICACEKSA-N 2 1 307.441 3.180 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)c1 ZINC001236334789 1099543962 /nfs/dbraw/zinc/54/39/62/1099543962.db2.gz LLHFDAREBPOVTD-KRWDZBQOSA-N 2 1 302.462 3.264 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236336947 1099544776 /nfs/dbraw/zinc/54/47/76/1099544776.db2.gz XQYMBXLATPJWDA-MSOLQXFVSA-N 2 1 302.462 3.407 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c1)CCN2 ZINC001236377295 1099562576 /nfs/dbraw/zinc/56/25/76/1099562576.db2.gz YSQQSPHBBRKKPI-MRXNPFEDSA-N 2 1 313.489 3.399 20 0 DGADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1O ZINC001236375990 1099563755 /nfs/dbraw/zinc/56/37/55/1099563755.db2.gz OCWHDJSQMGWIEF-QGZVFWFLSA-N 2 1 302.462 3.445 20 0 DGADMP CNc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375644 1099565687 /nfs/dbraw/zinc/56/56/87/1099565687.db2.gz LTVRJKDQUCYQJY-QGZVFWFLSA-N 2 1 301.478 3.473 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236407303 1099579315 /nfs/dbraw/zinc/57/93/15/1099579315.db2.gz CXHDUVDPVPBSGX-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236407303 1099579306 /nfs/dbraw/zinc/57/93/06/1099579306.db2.gz CXHDUVDPVPBSGX-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1cccn1-c1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC001236408491 1099581524 /nfs/dbraw/zinc/58/15/24/1099581524.db2.gz NJQDGBJXXYAAEH-HNNXBMFYSA-N 2 1 301.409 3.048 20 0 DGADMP CCOc1c(F)cc(C[N@H+](CC)C[C@H]2CC[NH2+]C2)cc1Cl ZINC001236408002 1099581980 /nfs/dbraw/zinc/58/19/80/1099581980.db2.gz JFDNVCPOZBDDKG-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1Cl ZINC001236408002 1099581990 /nfs/dbraw/zinc/58/19/90/1099581990.db2.gz JFDNVCPOZBDDKG-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236410337 1099583630 /nfs/dbraw/zinc/58/36/30/1099583630.db2.gz YUWKGVQCBAOGPC-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236410337 1099583643 /nfs/dbraw/zinc/58/36/43/1099583643.db2.gz YUWKGVQCBAOGPC-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1ccccc1CCc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413275 1099587754 /nfs/dbraw/zinc/58/77/54/1099587754.db2.gz NRTGWCANQBSSDP-AERCQKQUSA-N 2 1 306.453 3.121 20 0 DGADMP C[N@@H+](Cc1ccccc1CCc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413275 1099587759 /nfs/dbraw/zinc/58/77/59/1099587759.db2.gz NRTGWCANQBSSDP-AERCQKQUSA-N 2 1 306.453 3.121 20 0 DGADMP Cc1ccc(F)c(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1O ZINC001236415661 1099589075 /nfs/dbraw/zinc/58/90/75/1099589075.db2.gz TTXCRQMFDMWANM-UHFFFAOYSA-N 2 1 314.404 3.430 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(C)(c3ccccc3)CC2)CO1 ZINC001236433273 1099608923 /nfs/dbraw/zinc/60/89/23/1099608923.db2.gz GKCFZLYBZYIGLR-KRWDZBQOSA-N 2 1 302.462 3.155 20 0 DGADMP O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001236432755 1099609081 /nfs/dbraw/zinc/60/90/81/1099609081.db2.gz BNOYHMUIXIWPLP-IBGZPJMESA-N 2 1 320.436 3.037 20 0 DGADMP [NH3+]CCCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453405 1099620014 /nfs/dbraw/zinc/62/00/14/1099620014.db2.gz QQCHDQXWAOFJCQ-UHFFFAOYSA-N 3 1 323.912 3.413 20 0 DGADMP CCOCC[N@@H+](CCc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC001236459596 1099622086 /nfs/dbraw/zinc/62/20/86/1099622086.db2.gz AMLIDMNDSGQMDI-UHFFFAOYSA-N 2 1 318.505 3.443 20 0 DGADMP COc1ccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001236458695 1099623758 /nfs/dbraw/zinc/62/37/58/1099623758.db2.gz VWWLPFVFSVJXAE-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP COc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001236458695 1099623767 /nfs/dbraw/zinc/62/37/67/1099623767.db2.gz VWWLPFVFSVJXAE-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CCOCC[N@H+](Cc1cc(Cl)ccc1C)C1CC[NH2+]CC1 ZINC001236462195 1099625122 /nfs/dbraw/zinc/62/51/22/1099625122.db2.gz QXRYJXQOPCMUGB-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCOCC[N@@H+](Cc1cc(Cl)ccc1C)C1CC[NH2+]CC1 ZINC001236462195 1099625128 /nfs/dbraw/zinc/62/51/28/1099625128.db2.gz QXRYJXQOPCMUGB-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CC(C)C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236475040 1099633226 /nfs/dbraw/zinc/63/32/26/1099633226.db2.gz VHHMNSANOCQHFY-OAHLLOKOSA-N 2 1 312.404 3.498 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236475040 1099633228 /nfs/dbraw/zinc/63/32/28/1099633228.db2.gz VHHMNSANOCQHFY-OAHLLOKOSA-N 2 1 312.404 3.498 20 0 DGADMP CSCCC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509455 1099653214 /nfs/dbraw/zinc/65/32/14/1099653214.db2.gz NMHYBNXPXOJQES-UHFFFAOYSA-N 2 1 310.482 3.441 20 0 DGADMP CCOc1ncccc1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551044 1099677468 /nfs/dbraw/zinc/67/74/68/1099677468.db2.gz KISQWPODHXMJRI-QAQDUYKDSA-N 2 1 305.466 3.208 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc2c1NCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554119 1099677870 /nfs/dbraw/zinc/67/78/70/1099677870.db2.gz CLTAVVCMCBDOQM-IYARVYRRSA-N 2 1 301.478 3.383 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554763 1099677886 /nfs/dbraw/zinc/67/78/86/1099677886.db2.gz URBAZCGHDPSECW-WGSAOQKQSA-N 3 1 301.478 3.018 20 0 DGADMP Cc1ccccc1C[N@@H+](Cc1ncccc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556047 1099678775 /nfs/dbraw/zinc/67/87/75/1099678775.db2.gz PVIHVBOGWOZDBN-IYARVYRRSA-N 2 1 324.472 3.244 20 0 DGADMP Nc1ccnc(Cl)c1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567443 1099681745 /nfs/dbraw/zinc/68/17/45/1099681745.db2.gz WGNJPGQIWMZJNB-MQMHXKEQSA-N 2 1 322.884 3.332 20 0 DGADMP CC(C)(C)c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccn1 ZINC001236600017 1099695486 /nfs/dbraw/zinc/69/54/86/1099695486.db2.gz FLUSNKBSIDCAPJ-MRXNPFEDSA-N 2 1 301.478 3.343 20 0 DGADMP CC(C)(C)c1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccn1 ZINC001236600017 1099695489 /nfs/dbraw/zinc/69/54/89/1099695489.db2.gz FLUSNKBSIDCAPJ-MRXNPFEDSA-N 2 1 301.478 3.343 20 0 DGADMP Fc1cc2cc[nH]c2c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236604083 1099699231 /nfs/dbraw/zinc/69/92/31/1099699231.db2.gz BUZITVLJPLPROT-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC001236621428 1099709868 /nfs/dbraw/zinc/70/98/68/1099709868.db2.gz JOLQMIXAXHJUQW-MGPUTAFESA-N 2 1 308.425 3.252 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC001236621428 1099709876 /nfs/dbraw/zinc/70/98/76/1099709876.db2.gz JOLQMIXAXHJUQW-MGPUTAFESA-N 2 1 308.425 3.252 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CO ZINC001277993839 1099726453 /nfs/dbraw/zinc/72/64/53/1099726453.db2.gz DIVBESLOGGGKTF-JKHFOPOESA-N 2 1 310.526 3.416 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC001236665862 1099731478 /nfs/dbraw/zinc/73/14/78/1099731478.db2.gz YJYVSUSHYWWGCI-UHFFFAOYSA-N 2 1 310.397 3.041 20 0 DGADMP COc1c(C)c[nH+]c(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c1C ZINC001236665509 1099733114 /nfs/dbraw/zinc/73/31/14/1099733114.db2.gz XNVIEAGXCQIVRH-KRWDZBQOSA-N 2 1 317.477 3.204 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CC[NH2+]CC2)Cc2ccccc2)CC1 ZINC001236681111 1099739543 /nfs/dbraw/zinc/73/95/43/1099739543.db2.gz BBXGZTRSYSIQMB-MXVIHJGJSA-N 3 1 315.505 3.148 20 0 DGADMP CC(C)(C)C[N@@H+](C[C@H](N)Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767805 1099776989 /nfs/dbraw/zinc/77/69/89/1099776989.db2.gz KDWBWDDROHUZFK-GUDVDZBRSA-N 2 1 317.521 3.174 20 0 DGADMP CCC(CC)[N@@H+](Cc1cc(F)cnc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791450 1099787781 /nfs/dbraw/zinc/78/77/81/1099787781.db2.gz UQFKIVYVEPSGCL-JCNLHEQBSA-N 2 1 323.456 3.490 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236831969 1099818542 /nfs/dbraw/zinc/81/85/42/1099818542.db2.gz SKCYWPRRCROAJG-IMJJTQAJSA-N 2 1 323.278 3.181 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236831969 1099818553 /nfs/dbraw/zinc/81/85/53/1099818553.db2.gz SKCYWPRRCROAJG-IMJJTQAJSA-N 2 1 323.278 3.181 20 0 DGADMP CCC[N@H+](Cc1cccn1-c1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC001236834845 1099819441 /nfs/dbraw/zinc/81/94/41/1099819441.db2.gz IUNDBBSTKQSTNE-INIZCTEOSA-N 2 1 315.436 3.438 20 0 DGADMP CCC[N@@H+](Cc1cccc(F)c1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236844079 1099828654 /nfs/dbraw/zinc/82/86/54/1099828654.db2.gz SPZVNRUOOFLXFK-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1cccc(F)c1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236844079 1099828669 /nfs/dbraw/zinc/82/86/69/1099828669.db2.gz SPZVNRUOOFLXFK-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@@H+](Cc1cc(F)c(F)cc1OCC)C[C@@H]1CC[NH2+]C1 ZINC001236844320 1099829276 /nfs/dbraw/zinc/82/92/76/1099829276.db2.gz SXAXKAUWVAHGMJ-CYBMUJFWSA-N 2 1 312.404 3.185 20 0 DGADMP CCC[N@H+](Cc1cc(F)c(F)cc1OCC)C[C@@H]1CC[NH2+]C1 ZINC001236844320 1099829281 /nfs/dbraw/zinc/82/92/81/1099829281.db2.gz SXAXKAUWVAHGMJ-CYBMUJFWSA-N 2 1 312.404 3.185 20 0 DGADMP CCC[N@H+](Cc1cc(CC)c(O)c(CC)c1)C[C@H]1CC[NH2+]C1 ZINC001236844564 1099829324 /nfs/dbraw/zinc/82/93/24/1099829324.db2.gz WJDQLDPRVRWXON-HNNXBMFYSA-N 2 1 304.478 3.339 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236847321 1099831753 /nfs/dbraw/zinc/83/17/53/1099831753.db2.gz JIHIIHVTONSMRR-ROUUACIJSA-N 2 1 316.445 3.142 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236847321 1099831764 /nfs/dbraw/zinc/83/17/64/1099831764.db2.gz JIHIIHVTONSMRR-ROUUACIJSA-N 2 1 316.445 3.142 20 0 DGADMP CCC[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)CC(C)C ZINC001236893326 1099856499 /nfs/dbraw/zinc/85/64/99/1099856499.db2.gz LQAPQXYQTIKIJT-UHFFFAOYSA-N 2 1 303.494 3.306 20 0 DGADMP CC(C)[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)CC1CC1 ZINC001236898762 1099860491 /nfs/dbraw/zinc/86/04/91/1099860491.db2.gz OIXZXYMVEAGNAT-UHFFFAOYSA-N 2 1 301.478 3.059 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001236913267 1099873967 /nfs/dbraw/zinc/87/39/67/1099873967.db2.gz JTYUNYSVHNEXMP-QGZVFWFLSA-N 2 1 317.820 3.138 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236971598 1099895860 /nfs/dbraw/zinc/89/58/60/1099895860.db2.gz HOPYXQSZTJVUBR-HOTGVXAUSA-N 2 1 319.468 3.055 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001203694037 1099904294 /nfs/dbraw/zinc/90/42/94/1099904294.db2.gz WPTRYVWKMBTYOO-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001237041225 1099939226 /nfs/dbraw/zinc/93/92/26/1099939226.db2.gz FEJUWKLZOBJDOT-LJQANCHMSA-N 2 1 324.424 3.269 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001237043777 1099941105 /nfs/dbraw/zinc/94/11/05/1099941105.db2.gz UEQCQBNEFKQWAL-ZWKOTPCHSA-N 2 1 316.445 3.142 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001237059396 1099942340 /nfs/dbraw/zinc/94/23/40/1099942340.db2.gz UQNDEVSDCYGEIY-OAHLLOKOSA-N 2 1 311.267 3.052 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc1C ZINC001237081737 1099961310 /nfs/dbraw/zinc/96/13/10/1099961310.db2.gz LZJAMYGLONCILL-GOSISDBHSA-N 2 1 305.466 3.130 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1C ZINC001237081737 1099961317 /nfs/dbraw/zinc/96/13/17/1099961317.db2.gz LZJAMYGLONCILL-GOSISDBHSA-N 2 1 305.466 3.130 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)C[C@H]2C1 ZINC001237104493 1099972138 /nfs/dbraw/zinc/97/21/38/1099972138.db2.gz HMYCOZKEVFBRSF-IAGOWNOFSA-N 2 1 302.462 3.247 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(CC[NH+]1CCCC1)C2 ZINC001278055914 1099981997 /nfs/dbraw/zinc/98/19/97/1099981997.db2.gz OFSKWMRPVIGLCG-GOSISDBHSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCCCC[NH3+] ZINC001237189680 1100023970 /nfs/dbraw/zinc/02/39/70/1100023970.db2.gz YLPSZFSXXXVOBK-GFCCVEGCSA-N 2 1 311.267 3.325 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@H]3CCCC[NH2+]3)CC[C@@H]1N2 ZINC001237237469 1100044720 /nfs/dbraw/zinc/04/47/20/1100044720.db2.gz VLGIJYUSVODXNP-HFTRVMKXSA-N 2 1 319.880 3.456 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@H]3CCCC[NH2+]3)CC[C@@H]1N2 ZINC001237237469 1100044728 /nfs/dbraw/zinc/04/47/28/1100044728.db2.gz VLGIJYUSVODXNP-HFTRVMKXSA-N 2 1 319.880 3.456 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC001237258903 1100049675 /nfs/dbraw/zinc/04/96/75/1100049675.db2.gz QMSJSNBNUDKMJU-NRFANRHFSA-N 2 1 321.468 3.216 20 0 DGADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC001237264417 1100050742 /nfs/dbraw/zinc/05/07/42/1100050742.db2.gz HGEKVNCXLMCVGE-DOTOQJQBSA-N 2 1 302.462 3.263 20 0 DGADMP C[N@H+](CCC[NH2+]C1CCCCC1)C[C@@H]1Cc2ccccc2O1 ZINC001237265357 1100051746 /nfs/dbraw/zinc/05/17/46/1100051746.db2.gz ONIWRVDHHZCKPD-SFHVURJKSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)C[C@@H]1Cc2ccccc2O1 ZINC001237265357 1100051753 /nfs/dbraw/zinc/05/17/53/1100051753.db2.gz ONIWRVDHHZCKPD-SFHVURJKSA-N 2 1 302.462 3.234 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237379393 1100099462 /nfs/dbraw/zinc/09/94/62/1100099462.db2.gz BCTSARPAWSSRHO-GDBMZVCRSA-N 2 1 312.379 3.322 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c12 ZINC001237383126 1100101021 /nfs/dbraw/zinc/10/10/21/1100101021.db2.gz OJUQGGHHKLWBJT-IUODEOHRSA-N 2 1 303.837 3.395 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c12 ZINC001237383126 1100101023 /nfs/dbraw/zinc/10/10/23/1100101023.db2.gz OJUQGGHHKLWBJT-IUODEOHRSA-N 2 1 303.837 3.395 20 0 DGADMP c1cc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)ccn1 ZINC001237389572 1100105351 /nfs/dbraw/zinc/10/53/51/1100105351.db2.gz GRVKPZONLZJVSP-UXHICEINSA-N 2 1 307.441 3.323 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(-c2ccncc2)c1 ZINC001237393414 1100106509 /nfs/dbraw/zinc/10/65/09/1100106509.db2.gz SDZJSCKTBUIHQI-VQTJNVASSA-N 2 1 307.441 3.323 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1CC ZINC001237392547 1100107012 /nfs/dbraw/zinc/10/70/12/1100107012.db2.gz NPQDDGGYDQSVEE-QZTJIDSGSA-N 2 1 302.462 3.222 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1CC ZINC001237392547 1100107014 /nfs/dbraw/zinc/10/70/14/1100107014.db2.gz NPQDDGGYDQSVEE-QZTJIDSGSA-N 2 1 302.462 3.222 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2)n1 ZINC001237403508 1100112721 /nfs/dbraw/zinc/11/27/21/1100112721.db2.gz KWWNGFPGDHQPJG-DLBZAZTESA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2)n1 ZINC001237403508 1100112724 /nfs/dbraw/zinc/11/27/24/1100112724.db2.gz KWWNGFPGDHQPJG-DLBZAZTESA-N 2 1 313.470 3.384 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237417523 1100119582 /nfs/dbraw/zinc/11/95/82/1100119582.db2.gz SOYMWNGFSHWJFG-YLJYHZDGSA-N 2 1 323.440 3.448 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237417523 1100119587 /nfs/dbraw/zinc/11/95/87/1100119587.db2.gz SOYMWNGFSHWJFG-YLJYHZDGSA-N 2 1 323.440 3.448 20 0 DGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(C)C)c1 ZINC001237458605 1100130488 /nfs/dbraw/zinc/13/04/88/1100130488.db2.gz OAKSOUZWXYMTFK-UHFFFAOYSA-N 2 1 320.477 3.127 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(C)C)c1 ZINC001237458605 1100130493 /nfs/dbraw/zinc/13/04/93/1100130493.db2.gz OAKSOUZWXYMTFK-UHFFFAOYSA-N 2 1 320.477 3.127 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2ncnc(Cl)c2c1 ZINC001237585889 1100179180 /nfs/dbraw/zinc/17/91/80/1100179180.db2.gz RRCMMVDKOQZZPO-UHFFFAOYSA-N 2 1 318.852 3.201 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ncnc(Cl)c2c1 ZINC001237585889 1100179186 /nfs/dbraw/zinc/17/91/86/1100179186.db2.gz RRCMMVDKOQZZPO-UHFFFAOYSA-N 2 1 318.852 3.201 20 0 DGADMP Cc1cc(C)c(Cl)c(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1 ZINC001237701501 1100218772 /nfs/dbraw/zinc/21/87/72/1100218772.db2.gz KMLJRRHQDYIXOZ-UHFFFAOYSA-N 2 1 323.912 3.026 20 0 DGADMP CCc1cc(CN(CCOC)C2CC[NH+](C)CC2)ccc1Cl ZINC001237739602 1100232457 /nfs/dbraw/zinc/23/24/57/1100232457.db2.gz AOVFIURMLKKVHF-UHFFFAOYSA-N 2 1 324.896 3.445 20 0 DGADMP CCc1ncc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)s1 ZINC001237830533 1100261886 /nfs/dbraw/zinc/26/18/86/1100261886.db2.gz PEDLDHONPJCCCE-AWEZNQCLSA-N 2 1 303.431 3.144 20 0 DGADMP CCc1ncc(CN2CCC[C@H](Oc3ccncc3)C2)s1 ZINC001237830533 1100261894 /nfs/dbraw/zinc/26/18/94/1100261894.db2.gz PEDLDHONPJCCCE-AWEZNQCLSA-N 2 1 303.431 3.144 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCC(=O)[C@@H](C)C3)cc21 ZINC001237880146 1100277596 /nfs/dbraw/zinc/27/75/96/1100277596.db2.gz DBPZOPORIVVTGR-HNNXBMFYSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC(=O)[C@@H](C)C3)cc21 ZINC001237880146 1100277602 /nfs/dbraw/zinc/27/76/02/1100277602.db2.gz DBPZOPORIVVTGR-HNNXBMFYSA-N 2 1 312.457 3.489 20 0 DGADMP CC[N@H+]1CCCN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237880508 1100278584 /nfs/dbraw/zinc/27/85/84/1100278584.db2.gz GQHJNTGGXUGBCX-UHFFFAOYSA-N 2 1 313.489 3.215 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC)c(C)c3C)C[C@@H]2C1 ZINC001203727767 1100350280 /nfs/dbraw/zinc/35/02/80/1100350280.db2.gz XYCIOFAWTWBHSA-ROUUACIJSA-N 2 1 302.462 3.086 20 0 DGADMP c1ccn(CCC[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001278191927 1100368941 /nfs/dbraw/zinc/36/89/41/1100368941.db2.gz MWGSHJLCSOIBLF-KDURUIRLSA-N 2 1 315.505 3.465 20 0 DGADMP c1ccn(CCC[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001278191927 1100368948 /nfs/dbraw/zinc/36/89/48/1100368948.db2.gz MWGSHJLCSOIBLF-KDURUIRLSA-N 2 1 315.505 3.465 20 0 DGADMP c1ccn(CCC[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001278191927 1100368956 /nfs/dbraw/zinc/36/89/56/1100368956.db2.gz MWGSHJLCSOIBLF-KDURUIRLSA-N 2 1 315.505 3.465 20 0 DGADMP c1ccn(CCC[N@H+]2CCCC3(CN(C4CCCC4)C3)C2)c1 ZINC001278191719 1100369404 /nfs/dbraw/zinc/36/94/04/1100369404.db2.gz GCLNDSFLKWHTHU-UHFFFAOYSA-N 2 1 301.478 3.219 20 0 DGADMP c1ccn(CCC[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001278191719 1100369421 /nfs/dbraw/zinc/36/94/21/1100369421.db2.gz GCLNDSFLKWHTHU-UHFFFAOYSA-N 2 1 301.478 3.219 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001191453223 1100461001 /nfs/dbraw/zinc/46/10/01/1100461001.db2.gz DKVFAMOURUJYFU-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)c(C)c3)C[C@@H]2C1 ZINC001238618296 1100484912 /nfs/dbraw/zinc/48/49/12/1100484912.db2.gz PLRNPUFKSDCAFZ-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)c(C)c3)C[C@@H]2C1 ZINC001238618296 1100484915 /nfs/dbraw/zinc/48/49/15/1100484915.db2.gz PLRNPUFKSDCAFZ-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)c(C)c3)C[C@@H]2C1 ZINC001238618296 1100484917 /nfs/dbraw/zinc/48/49/17/1100484917.db2.gz PLRNPUFKSDCAFZ-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)c(C)c3)C[C@@H]2C1 ZINC001238618296 1100484921 /nfs/dbraw/zinc/48/49/21/1100484921.db2.gz PLRNPUFKSDCAFZ-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908500 1100535872 /nfs/dbraw/zinc/53/58/72/1100535872.db2.gz BYJJLLOYKJDADC-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908500 1100535876 /nfs/dbraw/zinc/53/58/76/1100535876.db2.gz BYJJLLOYKJDADC-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001191908500 1100535882 /nfs/dbraw/zinc/53/58/82/1100535882.db2.gz BYJJLLOYKJDADC-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001191908500 1100535888 /nfs/dbraw/zinc/53/58/88/1100535888.db2.gz BYJJLLOYKJDADC-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001205579166 1100576621 /nfs/dbraw/zinc/57/66/21/1100576621.db2.gz KYNMHFFJCQIOGX-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001205579166 1100576626 /nfs/dbraw/zinc/57/66/26/1100576626.db2.gz KYNMHFFJCQIOGX-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690406 1100651864 /nfs/dbraw/zinc/65/18/64/1100651864.db2.gz RKFFXXCWFKMSKQ-IRXDYDNUSA-N 2 1 312.885 3.329 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690406 1100651866 /nfs/dbraw/zinc/65/18/66/1100651866.db2.gz RKFFXXCWFKMSKQ-IRXDYDNUSA-N 2 1 312.885 3.329 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)CC[C@H]1C[NH3+] ZINC001205618527 1100692167 /nfs/dbraw/zinc/69/21/67/1100692167.db2.gz WWOKUVSGINERKX-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cncc4ccccc43)cn12 ZINC001239946135 1100806730 /nfs/dbraw/zinc/80/67/30/1100806730.db2.gz OPUNLMCAKWEOHZ-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP [NH3+]C1(c2cccc(-c3ccc(C[NH+]4CCOCC4)cc3)c2)CC1 ZINC001240477274 1101015680 /nfs/dbraw/zinc/01/56/80/1101015680.db2.gz LNYRHYITBUGALR-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc(N4CCCC4)c3)cn12 ZINC001240536250 1101038949 /nfs/dbraw/zinc/03/89/49/1101038949.db2.gz NENBWQXRYFURTR-UHFFFAOYSA-N 2 1 318.424 3.288 20 0 DGADMP CC(C)(C)Oc1ncccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241143138 1101273855 /nfs/dbraw/zinc/27/38/55/1101273855.db2.gz LUGYMKSEQTZFSA-UHFFFAOYSA-N 2 1 322.412 3.260 20 0 DGADMP C[C@H]1CCC[C@@H](CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC001196631428 1101353666 /nfs/dbraw/zinc/35/36/66/1101353666.db2.gz FBGYCUOZLKUOQD-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCC[C@@H](CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC001196631428 1101353680 /nfs/dbraw/zinc/35/36/80/1101353680.db2.gz FBGYCUOZLKUOQD-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+]1CC=C(c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)CC1 ZINC001241330238 1101379478 /nfs/dbraw/zinc/37/94/78/1101379478.db2.gz LXLZRKVAAVEYGV-OALUTQOASA-N 2 1 318.436 3.331 20 0 DGADMP Cc1ncccc1C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196937116 1101438159 /nfs/dbraw/zinc/43/81/59/1101438159.db2.gz WYIFABORYXEAKX-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ncccc1C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196937116 1101438163 /nfs/dbraw/zinc/43/81/63/1101438163.db2.gz WYIFABORYXEAKX-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c(F)cccc23)CCC1(F)F ZINC001205795917 1101457457 /nfs/dbraw/zinc/45/74/57/1101457457.db2.gz LXAZSKKNUDIMHY-CYBMUJFWSA-N 2 1 308.347 3.395 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c(F)cccc23)CCC1(F)F ZINC001205795917 1101457461 /nfs/dbraw/zinc/45/74/61/1101457461.db2.gz LXAZSKKNUDIMHY-CYBMUJFWSA-N 2 1 308.347 3.395 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080958720 1101489416 /nfs/dbraw/zinc/48/94/16/1101489416.db2.gz KHGZFTHYYYMZOD-ZDUSSCGKSA-N 2 1 307.344 3.391 20 0 DGADMP COc1ccc(C[NH+]2CCCCC2)cc1C1=CCC[N@@H+](C)C1 ZINC001241572355 1101552612 /nfs/dbraw/zinc/55/26/12/1101552612.db2.gz YFJPSZLVVOEMAX-UHFFFAOYSA-N 2 1 300.446 3.400 20 0 DGADMP CC(C)CSCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197929471 1101703865 /nfs/dbraw/zinc/70/38/65/1101703865.db2.gz IFKWAFHBNOHUCK-INIZCTEOSA-N 2 1 307.507 3.371 20 0 DGADMP [NH3+][C@@H]1CCc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc21 ZINC001241818766 1101726846 /nfs/dbraw/zinc/72/68/46/1101726846.db2.gz BANQEHKXZUEZEL-HXUWFJFHSA-N 2 1 308.425 3.132 20 0 DGADMP c1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)c(C[NH+]2CCOCC2)c1 ZINC001241984432 1101829767 /nfs/dbraw/zinc/82/97/67/1101829767.db2.gz NINMLHBWEDWYGE-IBGZPJMESA-N 2 1 323.440 3.005 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc2ncn([C@H]3CCC[NH2+]CC3)c2c1 ZINC001242084554 1101900683 /nfs/dbraw/zinc/90/06/83/1101900683.db2.gz TYLTZAFGQHKMHU-HNNXBMFYSA-N 2 1 321.428 3.304 20 0 DGADMP C[NH+](C)CCOc1ccc(-c2ccc3c(c2)C[N@H+](C)CC3)cc1 ZINC001242151937 1101943231 /nfs/dbraw/zinc/94/32/31/1101943231.db2.gz VMFQNJNISBRPHT-UHFFFAOYSA-N 2 1 310.441 3.282 20 0 DGADMP CCC(CC)C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001199190385 1102082242 /nfs/dbraw/zinc/08/22/42/1102082242.db2.gz WOVJDBLFWCRJOM-HXUWFJFHSA-N 2 1 317.521 3.391 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001199329413 1102115986 /nfs/dbraw/zinc/11/59/86/1102115986.db2.gz SIWIMUHOFATYEV-IRXDYDNUSA-N 2 1 303.494 3.494 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCc1ccccc1Br ZINC001205900966 1102398804 /nfs/dbraw/zinc/39/88/04/1102398804.db2.gz ACIMBESJWJNOKW-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccccc1Br ZINC001205900966 1102398815 /nfs/dbraw/zinc/39/88/15/1102398815.db2.gz ACIMBESJWJNOKW-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912875 1102499914 /nfs/dbraw/zinc/49/99/14/1102499914.db2.gz DLFGRBJTAUMXEJ-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912875 1102499917 /nfs/dbraw/zinc/49/99/17/1102499917.db2.gz DLFGRBJTAUMXEJ-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408418 1102571735 /nfs/dbraw/zinc/57/17/35/1102571735.db2.gz GGKUQOUOXJEASK-ULQDDVLXSA-N 2 1 302.487 3.468 20 0 DGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC(CC)CC)CC2)C1 ZINC001201523508 1102644169 /nfs/dbraw/zinc/64/41/69/1102644169.db2.gz PLGGOAMMGIWDSE-QGZVFWFLSA-N 2 1 324.509 3.162 20 0 DGADMP CCC(CC)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201526377 1102645661 /nfs/dbraw/zinc/64/56/61/1102645661.db2.gz ZGGLJCKXSMRQMR-RTBURBONSA-N 2 1 308.510 3.103 20 0 DGADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001201526377 1102645665 /nfs/dbraw/zinc/64/56/65/1102645665.db2.gz ZGGLJCKXSMRQMR-RTBURBONSA-N 2 1 308.510 3.103 20 0 DGADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001201526377 1102645670 /nfs/dbraw/zinc/64/56/70/1102645670.db2.gz ZGGLJCKXSMRQMR-RTBURBONSA-N 2 1 308.510 3.103 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3nsnc32)C1 ZINC001201559158 1102652341 /nfs/dbraw/zinc/65/23/41/1102652341.db2.gz WJCCXBVQMIEWPT-CQSZACIVSA-N 2 1 318.490 3.149 20 0 DGADMP CCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001201641122 1102683078 /nfs/dbraw/zinc/68/30/78/1102683078.db2.gz JJCJAPAYUVJOKB-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP CSCCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201692270 1102709683 /nfs/dbraw/zinc/70/96/83/1102709683.db2.gz NZYHJVDNPIEKQX-UHFFFAOYSA-N 2 1 304.503 3.262 20 0 DGADMP CSCCC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201692270 1102709686 /nfs/dbraw/zinc/70/96/86/1102709686.db2.gz NZYHJVDNPIEKQX-UHFFFAOYSA-N 2 1 304.503 3.262 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201973897 1102777891 /nfs/dbraw/zinc/77/78/91/1102777891.db2.gz TYJSRUIZULQTJF-AQNXPRMDSA-N 2 1 321.553 3.469 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCC(C)(C)C)C2 ZINC001202073640 1102834054 /nfs/dbraw/zinc/83/40/54/1102834054.db2.gz UAXVNQGBIDVEHP-HKUYNNGSSA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCC(C)(C)C)C2 ZINC001202073640 1102834069 /nfs/dbraw/zinc/83/40/69/1102834069.db2.gz UAXVNQGBIDVEHP-HKUYNNGSSA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCC(C)(C)C)C2 ZINC001202073640 1102834084 /nfs/dbraw/zinc/83/40/84/1102834084.db2.gz UAXVNQGBIDVEHP-HKUYNNGSSA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCC(C)(C)C)C2 ZINC001202073642 1102835520 /nfs/dbraw/zinc/83/55/20/1102835520.db2.gz UAXVNQGBIDVEHP-MJGOQNOKSA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCC(C)(C)C)C2 ZINC001202073642 1102835538 /nfs/dbraw/zinc/83/55/38/1102835538.db2.gz UAXVNQGBIDVEHP-MJGOQNOKSA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCC(C)(C)C)C2 ZINC001202073642 1102835561 /nfs/dbraw/zinc/83/55/61/1102835561.db2.gz UAXVNQGBIDVEHP-MJGOQNOKSA-N 2 1 308.510 3.103 20 0 DGADMP FC(F)(F)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001202356020 1102955816 /nfs/dbraw/zinc/95/58/16/1102955816.db2.gz HZSFQSKOPSJSAX-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202356020 1102955823 /nfs/dbraw/zinc/95/58/23/1102955823.db2.gz HZSFQSKOPSJSAX-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP Clc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c2c[nH]nc21 ZINC001243781024 1102975505 /nfs/dbraw/zinc/97/55/05/1102975505.db2.gz YNLBBKLCXSVHLL-UHFFFAOYSA-N 2 1 323.787 3.218 20 0 DGADMP Cc1nc2ccc(-c3cccc(C[NH+]4CCC([NH3+])CC4)c3)cc2[nH]1 ZINC001243967439 1103092614 /nfs/dbraw/zinc/09/26/14/1103092614.db2.gz XKGDJOZXMFNRDT-UHFFFAOYSA-N 2 1 320.440 3.461 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC001325745352 1103114626 /nfs/dbraw/zinc/11/46/26/1103114626.db2.gz XKFZFXYBBOXSOZ-CHWSQXEVSA-N 2 1 320.868 3.483 20 0 DGADMP O=C1CCCc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc21 ZINC001243995957 1103117322 /nfs/dbraw/zinc/11/73/22/1103117322.db2.gz MUTUKRJRJSMUSE-UHFFFAOYSA-N 2 1 317.392 3.207 20 0 DGADMP c1ncc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001276303012 1103260059 /nfs/dbraw/zinc/26/00/59/1103260059.db2.gz SFYOEGZQSQYJDJ-UHFFFAOYSA-N 2 1 314.477 3.097 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2sc(N3CCCCC3)nc2C)CC[C@@H]1[NH3+] ZINC001326502469 1103344166 /nfs/dbraw/zinc/34/41/66/1103344166.db2.gz MGTRBHUNNCHWNB-GJZGRUSLSA-N 2 1 322.522 3.001 20 0 DGADMP Cc1ccnc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c1 ZINC001276318350 1103486346 /nfs/dbraw/zinc/48/63/46/1103486346.db2.gz DGJATZXMLAUZPV-UXHICEINSA-N 2 1 324.472 3.443 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001276335057 1103507668 /nfs/dbraw/zinc/50/76/68/1103507668.db2.gz MMFSNJZKDGOSOC-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001276335057 1103507676 /nfs/dbraw/zinc/50/76/76/1103507676.db2.gz MMFSNJZKDGOSOC-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001276335057 1103507685 /nfs/dbraw/zinc/50/76/85/1103507685.db2.gz MMFSNJZKDGOSOC-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001276335058 1103507827 /nfs/dbraw/zinc/50/78/27/1103507827.db2.gz MMFSNJZKDGOSOC-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001276335058 1103507836 /nfs/dbraw/zinc/50/78/36/1103507836.db2.gz MMFSNJZKDGOSOC-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001276335058 1103507847 /nfs/dbraw/zinc/50/78/47/1103507847.db2.gz MMFSNJZKDGOSOC-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP O=c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347207 1103518569 /nfs/dbraw/zinc/51/85/69/1103518569.db2.gz SSLBPNVNHGARIQ-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347207 1103518575 /nfs/dbraw/zinc/51/85/75/1103518575.db2.gz SSLBPNVNHGARIQ-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347207 1103518582 /nfs/dbraw/zinc/51/85/82/1103518582.db2.gz SSLBPNVNHGARIQ-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347207 1103518588 /nfs/dbraw/zinc/51/85/88/1103518588.db2.gz SSLBPNVNHGARIQ-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000097899515 1103555537 /nfs/dbraw/zinc/55/55/37/1103555537.db2.gz IPLMLHJCJCRUSF-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000097899515 1103555528 /nfs/dbraw/zinc/55/55/28/1103555528.db2.gz IPLMLHJCJCRUSF-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP C[NH2+]Cc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1F ZINC001244861368 1103726475 /nfs/dbraw/zinc/72/64/75/1103726475.db2.gz AWEPYWVXEKGDEM-UHFFFAOYSA-N 2 1 314.404 3.044 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC001327838769 1103738985 /nfs/dbraw/zinc/73/89/85/1103738985.db2.gz CWRGEVDGRMRFGA-MNOVXSKESA-N 2 1 300.830 3.006 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)[C@@H]2CCC[C@@H]21 ZINC001327891857 1103757170 /nfs/dbraw/zinc/75/71/70/1103757170.db2.gz PFULLXAQFMLEQD-JQFCIGGWSA-N 2 1 310.844 3.484 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Br)ccc1Cl ZINC001328676309 1104018734 /nfs/dbraw/zinc/01/87/34/1104018734.db2.gz BYZWZBJNCQGBSE-VIFPVBQESA-N 2 1 305.647 3.190 20 0 DGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001137080528 1103961587 /nfs/dbraw/zinc/96/15/87/1103961587.db2.gz KIMNVPOTUGUFRF-ROUUACIJSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001137080528 1103961593 /nfs/dbraw/zinc/96/15/93/1103961593.db2.gz KIMNVPOTUGUFRF-ROUUACIJSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001137080528 1103961600 /nfs/dbraw/zinc/96/16/00/1103961600.db2.gz KIMNVPOTUGUFRF-ROUUACIJSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001137080528 1103961602 /nfs/dbraw/zinc/96/16/02/1103961602.db2.gz KIMNVPOTUGUFRF-ROUUACIJSA-N 2 1 304.482 3.303 20 0 DGADMP Nc1[nH]c2cc(-c3ccc(COC4CC[NH2+]CC4)cc3)ccc2[nH+]1 ZINC001245408282 1104033397 /nfs/dbraw/zinc/03/33/97/1104033397.db2.gz UMDAXAGXYJGPKH-UHFFFAOYSA-N 2 1 322.412 3.081 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4cccc(Cl)c4n3)C[C@@H]2C1 ZINC001137223311 1104167609 /nfs/dbraw/zinc/16/76/09/1104167609.db2.gz VIANHCULUDYUOM-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4cccc(Cl)c4n3)C[C@@H]2C1 ZINC001137223311 1104167613 /nfs/dbraw/zinc/16/76/13/1104167613.db2.gz VIANHCULUDYUOM-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4cccc(Cl)c4n3)C[C@@H]2C1 ZINC001137223311 1104167619 /nfs/dbraw/zinc/16/76/19/1104167619.db2.gz VIANHCULUDYUOM-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4cccc(Cl)c4n3)C[C@@H]2C1 ZINC001137223311 1104167624 /nfs/dbraw/zinc/16/76/24/1104167624.db2.gz VIANHCULUDYUOM-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2c(O)cccc2F)CC1 ZINC001245657164 1104181458 /nfs/dbraw/zinc/18/14/58/1104181458.db2.gz VIJYLGUPXAOQFD-UHFFFAOYSA-N 2 1 300.377 3.121 20 0 DGADMP CCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202771519 1104310378 /nfs/dbraw/zinc/31/03/78/1104310378.db2.gz GBAGYWJJAMFXFD-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C/CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001329571950 1104322226 /nfs/dbraw/zinc/32/22/26/1104322226.db2.gz JBAUQZWKAOWDIZ-HNGSOEQISA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)(C)[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246051283 1104356474 /nfs/dbraw/zinc/35/64/74/1104356474.db2.gz JJWBBSSUNGIDST-GOSISDBHSA-N 2 1 322.468 3.034 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](C[C@H](O)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246055283 1104361076 /nfs/dbraw/zinc/36/10/76/1104361076.db2.gz NDFHFVRTOGTLEQ-SFHVURJKSA-N 2 1 322.468 3.095 20 0 DGADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246071135 1104364596 /nfs/dbraw/zinc/36/45/96/1104364596.db2.gz HPBNUBJGXJSEGP-OALUTQOASA-N 2 1 310.441 3.148 20 0 DGADMP CC[C@@H]1CC([NH2+]Cc2cc(OC)ccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246073528 1104367028 /nfs/dbraw/zinc/36/70/28/1104367028.db2.gz FWGUYGWENVGVPL-HUUCEWRRSA-N 2 1 306.450 3.103 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246075554 1104370273 /nfs/dbraw/zinc/37/02/73/1104370273.db2.gz VROGBYWWRWLBHV-MUJYYYPQSA-N 2 1 306.450 3.103 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(F)c(Br)c2)C[C@@H](C)[NH2+]1 ZINC001246077196 1104371496 /nfs/dbraw/zinc/37/14/96/1104371496.db2.gz RCCLFRHDCATBQW-NXEZZACHSA-N 2 1 315.230 3.207 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246079892 1104374955 /nfs/dbraw/zinc/37/49/55/1104374955.db2.gz LABQKBMVIAJMQS-UONOGXRCSA-N 2 1 316.367 3.451 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246083416 1104375761 /nfs/dbraw/zinc/37/57/61/1104375761.db2.gz YUYUYFDENRLRTD-STQMWFEESA-N 2 1 302.340 3.205 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246090497 1104381257 /nfs/dbraw/zinc/38/12/57/1104381257.db2.gz AGGITDRMOXLVHA-JMSVASOKSA-N 2 1 316.367 3.104 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1)CC2 ZINC001246102291 1104387011 /nfs/dbraw/zinc/38/70/11/1104387011.db2.gz CLTRHLMUDNWAHF-MJBXVCDLSA-N 2 1 322.880 3.184 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246118555 1104394499 /nfs/dbraw/zinc/39/44/99/1104394499.db2.gz RPPRLHQWRHCYQV-TYNCELHUSA-N 2 1 300.368 3.224 20 0 DGADMP CCOC(=O)C[C@]1([NH2+]C2CCC(C(C)(C)CC)CC2)CC[NH2+]C1 ZINC001246128149 1104398408 /nfs/dbraw/zinc/39/84/08/1104398408.db2.gz MUOLALVHZWGHMU-LADRWXRNSA-N 2 1 324.509 3.256 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246133688 1104400939 /nfs/dbraw/zinc/40/09/39/1104400939.db2.gz LCODIRYDUFCZOO-VBNZEHGJSA-N 2 1 323.278 3.254 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246151571 1104406996 /nfs/dbraw/zinc/40/69/96/1104406996.db2.gz JESRVUUJFZTLAJ-MSOLQXFVSA-N 2 1 320.477 3.048 20 0 DGADMP CCCCCC[C@@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246149434 1104407079 /nfs/dbraw/zinc/40/70/79/1104407079.db2.gz BDNBTLQVZWIGGO-CVEARBPZSA-N 2 1 300.487 3.386 20 0 DGADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246151524 1104407568 /nfs/dbraw/zinc/40/75/68/1104407568.db2.gz FVJQXYYQPJZZLD-KRWDZBQOSA-N 2 1 316.445 3.018 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246159959 1104409466 /nfs/dbraw/zinc/40/94/66/1104409466.db2.gz RFHRCAZOLKNFTL-NSHDSACASA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157873 1104409484 /nfs/dbraw/zinc/40/94/84/1104409484.db2.gz CIVYAWFQNXCOQN-JCGIZDLHSA-N 2 1 322.880 3.162 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159966 1104409999 /nfs/dbraw/zinc/40/99/99/1104409999.db2.gz LXWLVVSOUWZUCF-HSALFYBXSA-N 2 1 316.489 3.289 20 0 DGADMP C[C@H]1CC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC001246160464 1104411786 /nfs/dbraw/zinc/41/17/86/1104411786.db2.gz UIWXMGITJRQIHS-UWVGGRQHSA-N 2 1 304.331 3.463 20 0 DGADMP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC001246167997 1104415779 /nfs/dbraw/zinc/41/57/79/1104415779.db2.gz HPWPINDYQKLTSA-KGLIPLIRSA-N 2 1 323.278 3.038 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246172831 1104418882 /nfs/dbraw/zinc/41/88/82/1104418882.db2.gz CZPZEWVYLISKQB-FPOVZHCZSA-N 2 1 323.484 3.378 20 0 DGADMP CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178277 1104424536 /nfs/dbraw/zinc/42/45/36/1104424536.db2.gz WOFJNYSGZSLRJJ-AQNXPRMDSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178277 1104424545 /nfs/dbraw/zinc/42/45/45/1104424545.db2.gz WOFJNYSGZSLRJJ-AQNXPRMDSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@]1([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC001246191193 1104429840 /nfs/dbraw/zinc/42/98/40/1104429840.db2.gz VBJDUBWJUGGNCS-KRWDZBQOSA-N 2 1 307.869 3.041 20 0 DGADMP CCCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246191873 1104432196 /nfs/dbraw/zinc/43/21/96/1104432196.db2.gz RGAAFTRHQHVCNP-AEFFLSMTSA-N 2 1 320.477 3.396 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246195552 1104432696 /nfs/dbraw/zinc/43/26/96/1104432696.db2.gz XKCOVEWJTYJTSM-OALUTQOASA-N 3 1 309.542 3.401 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191683 1104432813 /nfs/dbraw/zinc/43/28/13/1104432813.db2.gz XETSJFSLIQXWAY-DOMZBBRYSA-N 2 1 316.367 3.248 20 0 DGADMP CCCC[NH+](CCCC)CCN[C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246193688 1104432851 /nfs/dbraw/zinc/43/28/51/1104432851.db2.gz OJJWJQHQWPYWIL-GJZGRUSLSA-N 2 1 323.447 3.161 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246193688 1104432854 /nfs/dbraw/zinc/43/28/54/1104432854.db2.gz OJJWJQHQWPYWIL-GJZGRUSLSA-N 2 1 323.447 3.161 20 0 DGADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246200166 1104435506 /nfs/dbraw/zinc/43/55/06/1104435506.db2.gz AENWAYYBLQYDRW-CVEARBPZSA-N 2 1 310.482 3.140 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccnc(F)c3)c(F)c2)CC[NH2+]1 ZINC001246208732 1104437348 /nfs/dbraw/zinc/43/73/48/1104437348.db2.gz CKAPLTMQYFIOTD-WFASDCNBSA-N 2 1 317.383 3.257 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246219841 1104443555 /nfs/dbraw/zinc/44/35/55/1104443555.db2.gz HXHJRJWVFINFRQ-WFASDCNBSA-N 2 1 316.823 3.496 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](NCC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245169 1104457701 /nfs/dbraw/zinc/45/77/01/1104457701.db2.gz NMIWDQZHDOBHNU-PMACEKPBSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245169 1104457710 /nfs/dbraw/zinc/45/77/10/1104457710.db2.gz NMIWDQZHDOBHNU-PMACEKPBSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245169 1104457714 /nfs/dbraw/zinc/45/77/14/1104457714.db2.gz NMIWDQZHDOBHNU-PMACEKPBSA-N 3 1 315.505 3.163 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccc2Br)C[NH2+]1 ZINC001246255119 1104460377 /nfs/dbraw/zinc/46/03/77/1104460377.db2.gz KBVCRAUIHANVRB-TZMCWYRMSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1ccc2ccccc2c1 ZINC001246253579 1104461241 /nfs/dbraw/zinc/46/12/41/1104461241.db2.gz VDZCUAUAURGSFQ-UQIORVJUSA-N 2 1 323.440 3.039 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246260967 1104463918 /nfs/dbraw/zinc/46/39/18/1104463918.db2.gz UUUHXLMIBGWMQN-IKGGRYGDSA-N 2 1 310.869 3.274 20 0 DGADMP CCC[NH2+]CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246272734 1104469537 /nfs/dbraw/zinc/46/95/37/1104469537.db2.gz VLIQADCQRITMCH-OWZKRDHZSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246279165 1104470758 /nfs/dbraw/zinc/47/07/58/1104470758.db2.gz KUJHUMJWQLBKOE-LBPRGKRZSA-N 2 1 311.267 3.241 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246308672 1104482030 /nfs/dbraw/zinc/48/20/30/1104482030.db2.gz HDSSRQVTGHREKD-NZSAHSFTSA-N 2 1 303.494 3.003 20 0 DGADMP CC[C@H](C[NH3+])[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246310446 1104482571 /nfs/dbraw/zinc/48/25/71/1104482571.db2.gz CPSGUKXGPTWZML-UXHICEINSA-N 2 1 324.468 3.450 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C[NH2+]1 ZINC001246327016 1104491237 /nfs/dbraw/zinc/49/12/37/1104491237.db2.gz YBHDRYBLLVWZTL-DOMZBBRYSA-N 2 1 323.278 3.211 20 0 DGADMP CCCCCC[C@@H](CCCC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246325504 1104489761 /nfs/dbraw/zinc/48/97/61/1104489761.db2.gz ARFPLJQJVVGBCB-ZACQAIPSSA-N 2 1 312.498 3.256 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326125 1104491048 /nfs/dbraw/zinc/49/10/48/1104491048.db2.gz NVNOUJPFWZBUOA-ZOWXZIJZSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C[NH2+]1 ZINC001246327021 1104491386 /nfs/dbraw/zinc/49/13/86/1104491386.db2.gz YBHDRYBLLVWZTL-WFASDCNBSA-N 2 1 323.278 3.211 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246329771 1104492773 /nfs/dbraw/zinc/49/27/73/1104492773.db2.gz SXIKWQGNEYMESP-YWPYICTPSA-N 2 1 300.368 3.367 20 0 DGADMP CC1(C)CC[NH2+]C[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246330936 1104495081 /nfs/dbraw/zinc/49/50/81/1104495081.db2.gz MIHQDKZUOAMXKM-RTBURBONSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246332646 1104496306 /nfs/dbraw/zinc/49/63/06/1104496306.db2.gz QUVLCDPADZWXQS-ZOWXZIJZSA-N 2 1 316.367 3.246 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337879 1104497277 /nfs/dbraw/zinc/49/72/77/1104497277.db2.gz XDGADBPFAMUQTK-HKUYNNGSSA-N 2 1 315.505 3.006 20 0 DGADMP CCOC(=O)c1csc(C[NH2+]C2C[C@@H](CC)[NH2+][C@H](CC)C2)c1 ZINC001246343981 1104499314 /nfs/dbraw/zinc/49/93/14/1104499314.db2.gz FEMUPOJFUHULGY-ZIAGYGMSSA-N 2 1 324.490 3.324 20 0 DGADMP CCCCCCOC(=O)C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246350204 1104501894 /nfs/dbraw/zinc/50/18/94/1104501894.db2.gz MGAGHYKMTTTXFE-UHFFFAOYSA-N 2 1 310.482 3.012 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246356525 1104505501 /nfs/dbraw/zinc/50/55/01/1104505501.db2.gz UAGQQNDSOJHMKC-OAHLLOKOSA-N 2 1 306.425 3.379 20 0 DGADMP Clc1ccccc1C1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)COC1 ZINC001246360427 1104507763 /nfs/dbraw/zinc/50/77/63/1104507763.db2.gz FUAMTEVVRJEKHI-AWEZNQCLSA-N 2 1 320.864 3.077 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246365552 1104511372 /nfs/dbraw/zinc/51/13/72/1104511372.db2.gz YSUORJWQERERCO-SJORKVTESA-N 2 1 307.526 3.151 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3OC)CC[NH2+]CC2)C1 ZINC001246378827 1104515544 /nfs/dbraw/zinc/51/55/44/1104515544.db2.gz ZBRZPHUMASMLDY-CVEARBPZSA-N 2 1 302.462 3.442 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC001246388851 1104520574 /nfs/dbraw/zinc/52/05/74/1104520574.db2.gz JJZJLUMQTYQFNE-KGLIPLIRSA-N 2 1 308.853 3.076 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC001246389811 1104521132 /nfs/dbraw/zinc/52/11/32/1104521132.db2.gz JJZJLUMQTYQFNE-UONOGXRCSA-N 2 1 308.853 3.076 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407885 1104529302 /nfs/dbraw/zinc/52/93/02/1104529302.db2.gz VGGNSRZAYQHDLP-OWYHZJEWSA-N 2 1 307.526 3.279 20 0 DGADMP CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246405633 1104529632 /nfs/dbraw/zinc/52/96/32/1104529632.db2.gz MXAJBWVRGUYWKS-AABGKKOBSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC001246405633 1104529641 /nfs/dbraw/zinc/52/96/41/1104529641.db2.gz MXAJBWVRGUYWKS-AABGKKOBSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246405637 1104529928 /nfs/dbraw/zinc/52/99/28/1104529928.db2.gz MXAJBWVRGUYWKS-SLFFLAALSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC001246405637 1104529934 /nfs/dbraw/zinc/52/99/34/1104529934.db2.gz MXAJBWVRGUYWKS-SLFFLAALSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccc2C(F)(F)F)C[NH2+]1 ZINC001246429634 1104535658 /nfs/dbraw/zinc/53/56/58/1104535658.db2.gz CAYZNGAISNQDCT-WCQYABFASA-N 2 1 300.368 3.367 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CCC2)c1 ZINC001246429558 1104536053 /nfs/dbraw/zinc/53/60/53/1104536053.db2.gz AIJPGWCFGHBPHQ-DOTOQJQBSA-N 2 1 302.462 3.138 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC001330316105 1104537591 /nfs/dbraw/zinc/53/75/91/1104537591.db2.gz ORNZZVFUMHPJLD-CVEARBPZSA-N 2 1 302.462 3.394 20 0 DGADMP CC[C@@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC001246454651 1104543674 /nfs/dbraw/zinc/54/36/74/1104543674.db2.gz FSIDMEXKTAJZBR-SXLOBPIMSA-N 2 1 315.505 3.161 20 0 DGADMP CC[C@@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC001246454648 1104544084 /nfs/dbraw/zinc/54/40/84/1104544084.db2.gz FSIDMEXKTAJZBR-HOJAQTOUSA-N 2 1 315.505 3.161 20 0 DGADMP CC[C@]1([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC[NH2+]C1 ZINC001246456457 1104546405 /nfs/dbraw/zinc/54/64/05/1104546405.db2.gz ARDZODALURPWPK-CJNGLKHVSA-N 2 1 323.278 3.038 20 0 DGADMP COCCC[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001274936016 1104547496 /nfs/dbraw/zinc/54/74/96/1104547496.db2.gz CDQZNLOTGWVUDN-GASCZTMLSA-N 2 1 322.415 3.009 20 0 DGADMP COCCC[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001274936016 1104547503 /nfs/dbraw/zinc/54/75/03/1104547503.db2.gz CDQZNLOTGWVUDN-GASCZTMLSA-N 2 1 322.415 3.009 20 0 DGADMP COCCC[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001274936016 1104547514 /nfs/dbraw/zinc/54/75/14/1104547514.db2.gz CDQZNLOTGWVUDN-GASCZTMLSA-N 2 1 322.415 3.009 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2)cn1 ZINC001330422840 1104550490 /nfs/dbraw/zinc/55/04/90/1104550490.db2.gz FISOIHHFOVQERA-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)cn1 ZINC001330422840 1104550500 /nfs/dbraw/zinc/55/05/00/1104550500.db2.gz FISOIHHFOVQERA-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)cn1 ZINC001330422840 1104550508 /nfs/dbraw/zinc/55/05/08/1104550508.db2.gz FISOIHHFOVQERA-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCN4)CC[NH2+]2)cc1 ZINC001246475735 1104556893 /nfs/dbraw/zinc/55/68/93/1104556893.db2.gz VSVVIGHQXLMLAE-ICSRJNTNSA-N 2 1 307.441 3.238 20 0 DGADMP C[C@H](CC1CC1)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246485769 1104560358 /nfs/dbraw/zinc/56/03/58/1104560358.db2.gz NQXURCFLRFONGG-CRAIPNDOSA-N 2 1 318.461 3.006 20 0 DGADMP Cc1cccc2c1CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]CC1(F)F)C2 ZINC001246487307 1104560838 /nfs/dbraw/zinc/56/08/38/1104560838.db2.gz LEEBCACUGZQJHQ-HOTGVXAUSA-N 2 1 308.416 3.077 20 0 DGADMP CCC(CC)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246483267 1104561422 /nfs/dbraw/zinc/56/14/22/1104561422.db2.gz CCNMJWSOJQOCJF-QGZVFWFLSA-N 2 1 306.450 3.006 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246490644 1104563350 /nfs/dbraw/zinc/56/33/50/1104563350.db2.gz FNGUIIYJWFCAOJ-DYEKYZERSA-N 2 1 316.367 3.104 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001246495750 1104564409 /nfs/dbraw/zinc/56/44/09/1104564409.db2.gz LJEJKPIRZCNGRG-INIZCTEOSA-N 2 1 304.478 3.440 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001246495908 1104565395 /nfs/dbraw/zinc/56/53/95/1104565395.db2.gz LWKOGFCHOFQNOY-SFHVURJKSA-N 2 1 303.494 3.148 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246496008 1104565467 /nfs/dbraw/zinc/56/54/67/1104565467.db2.gz SLRZKXRILREXJC-MPKXVKKWSA-N 2 1 324.266 3.036 20 0 DGADMP COCC[NH+]1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001274980493 1104565852 /nfs/dbraw/zinc/56/58/52/1104565852.db2.gz MPJIJHTZQGJSFW-UHFFFAOYSA-N 2 1 322.415 3.153 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246498478 1104566118 /nfs/dbraw/zinc/56/61/18/1104566118.db2.gz RXRPEXLFRAWYBW-MSOLQXFVSA-N 3 1 307.526 3.282 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246503959 1104568764 /nfs/dbraw/zinc/56/87/64/1104568764.db2.gz OMBAGWHLZKCNMJ-INIZCTEOSA-N 2 1 309.885 3.272 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246511452 1104570079 /nfs/dbraw/zinc/57/00/79/1104570079.db2.gz JDJANFRJQZLMLP-SQNIBIBYSA-N 3 1 307.526 3.342 20 0 DGADMP CCC1CCC([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)CC1 ZINC001246506850 1104570996 /nfs/dbraw/zinc/57/09/96/1104570996.db2.gz XEEPMXNSARKNES-GPANFISMSA-N 2 1 312.498 3.384 20 0 DGADMP Brc1ccc([C@@H]2C[C@@H]2[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246513221 1104571982 /nfs/dbraw/zinc/57/19/82/1104571982.db2.gz HAOBZIHMONTYQU-KKUMJFAQSA-N 2 1 309.251 3.037 20 0 DGADMP CC(C)[N@@H+](Cc1ccccc1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246518594 1104574767 /nfs/dbraw/zinc/57/47/67/1104574767.db2.gz HLRJFYXBGNJUKK-UHFFFAOYSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001246525338 1104578392 /nfs/dbraw/zinc/57/83/92/1104578392.db2.gz WKJXGIGBNLDXJY-QGZVFWFLSA-N 2 1 316.489 3.482 20 0 DGADMP CCCC[C@@H]1C[C@@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246529022 1104579205 /nfs/dbraw/zinc/57/92/05/1104579205.db2.gz QACFGVMTQXHIPB-AABGKKOBSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@@H]1CC(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246528013 1104579254 /nfs/dbraw/zinc/57/92/54/1104579254.db2.gz NFOUYYJTGFGOJF-QWFCFKBJSA-N 2 1 315.505 3.284 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246533748 1104579401 /nfs/dbraw/zinc/57/94/01/1104579401.db2.gz NZGTWKGNFGNFRP-SJPCQFCGSA-N 2 1 319.880 3.053 20 0 DGADMP CC[C@H]1C[C@@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC001246535157 1104581378 /nfs/dbraw/zinc/58/13/78/1104581378.db2.gz WJYHNPKCZISXTQ-UMGGQSCQSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@H]1C[C@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC001246535153 1104582231 /nfs/dbraw/zinc/58/22/31/1104582231.db2.gz WJYHNPKCZISXTQ-LCLWPZTBSA-N 2 1 315.505 3.112 20 0 DGADMP CC1(C)C[C@@H](N2CCC[C@@](C)([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246541058 1104585286 /nfs/dbraw/zinc/58/52/86/1104585286.db2.gz NQSOXERHSACOSY-AZUAARDMSA-N 2 1 315.505 3.243 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001246540259 1104585663 /nfs/dbraw/zinc/58/56/63/1104585663.db2.gz FYKRWUKNHXUEFD-VIQWUECVSA-N 2 1 302.462 3.328 20 0 DGADMP Cc1ccccc1N1CC[NH+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246542681 1104586603 /nfs/dbraw/zinc/58/66/03/1104586603.db2.gz XCVODJCCNJJILP-HKUYNNGSSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246546659 1104587232 /nfs/dbraw/zinc/58/72/32/1104587232.db2.gz NCKWPCRCMPECAL-PIKOESSRSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548936 1104587649 /nfs/dbraw/zinc/58/76/49/1104587649.db2.gz LDSOWVNNRZZYIQ-BBRMVZONSA-N 2 1 314.445 3.459 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246546282 1104588377 /nfs/dbraw/zinc/58/83/77/1104588377.db2.gz JNEHLAMTBKIKBD-MAUKXSAKSA-N 2 1 318.461 3.056 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246546282 1104588385 /nfs/dbraw/zinc/58/83/85/1104588385.db2.gz JNEHLAMTBKIKBD-MAUKXSAKSA-N 2 1 318.461 3.056 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246547367 1104588669 /nfs/dbraw/zinc/58/86/69/1104588669.db2.gz PFYHXQRPULHQNM-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@](C)([NH3+])CC3)CCO2)cc1 ZINC001246552036 1104590281 /nfs/dbraw/zinc/59/02/81/1104590281.db2.gz NNVZJGSSFXZVBC-NEWSRXKRSA-N 2 1 318.461 3.119 20 0 DGADMP COc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246552679 1104590373 /nfs/dbraw/zinc/59/03/73/1104590373.db2.gz YWACIXHZDYMATQ-FUHWJXTLSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246552679 1104590381 /nfs/dbraw/zinc/59/03/81/1104590381.db2.gz YWACIXHZDYMATQ-FUHWJXTLSA-N 2 1 302.462 3.220 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554875 1104593782 /nfs/dbraw/zinc/59/37/82/1104593782.db2.gz FGNQQFWAYBUDGT-DGCLKSJQSA-N 2 1 302.796 3.187 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554875 1104593790 /nfs/dbraw/zinc/59/37/90/1104593790.db2.gz FGNQQFWAYBUDGT-DGCLKSJQSA-N 2 1 302.796 3.187 20 0 DGADMP CC(C)C[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001275056124 1104596148 /nfs/dbraw/zinc/59/61/48/1104596148.db2.gz PGMVGFKISDQQEI-UHFFFAOYSA-N 2 1 311.473 3.374 20 0 DGADMP CC(C)C[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001275056124 1104596153 /nfs/dbraw/zinc/59/61/53/1104596153.db2.gz PGMVGFKISDQQEI-UHFFFAOYSA-N 2 1 311.473 3.374 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001246559431 1104596127 /nfs/dbraw/zinc/59/61/27/1104596127.db2.gz BGDQPSTWUQPZRB-AAILRHKWSA-N 2 1 302.462 3.436 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](C2CCC(C(F)(F)F)CC2)CCC1(F)F ZINC001246558049 1104596347 /nfs/dbraw/zinc/59/63/47/1104596347.db2.gz KNSRTGFDHBCPAI-YVNMAJEFSA-N 2 1 300.315 3.023 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)CCC1(F)F ZINC001246558049 1104596356 /nfs/dbraw/zinc/59/63/56/1104596356.db2.gz KNSRTGFDHBCPAI-YVNMAJEFSA-N 2 1 300.315 3.023 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246578625 1104604734 /nfs/dbraw/zinc/60/47/34/1104604734.db2.gz BGHOXCFNSPNDFS-KCPJHIHWSA-N 2 1 300.418 3.068 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246578625 1104604740 /nfs/dbraw/zinc/60/47/40/1104604740.db2.gz BGHOXCFNSPNDFS-KCPJHIHWSA-N 2 1 300.418 3.068 20 0 DGADMP COC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246583291 1104606615 /nfs/dbraw/zinc/60/66/15/1104606615.db2.gz QJJQGIRWZSXAFY-AOIWGVFYSA-N 2 1 320.452 3.428 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246583291 1104606617 /nfs/dbraw/zinc/60/66/17/1104606617.db2.gz QJJQGIRWZSXAFY-AOIWGVFYSA-N 2 1 320.452 3.428 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@H](CC)C[C@H](C)CC)C[C@@H]1C[NH2+]CCC2 ZINC001246593503 1104609940 /nfs/dbraw/zinc/60/99/40/1104609940.db2.gz GUDDSIRXWSDFCP-NTDBWNAOSA-N 2 1 324.509 3.066 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246592534 1104610168 /nfs/dbraw/zinc/61/01/68/1104610168.db2.gz KCCGBAVHBCZQNA-AEFFLSMTSA-N 2 1 304.478 3.479 20 0 DGADMP CC(C)[N@@H+]([C@H]1COc2ccc(Cl)cc2C1)[C@H]1CCC[NH2+]CC1 ZINC001246591817 1104610923 /nfs/dbraw/zinc/61/09/23/1104610923.db2.gz JNDYLHBWMUTLEJ-DLBZAZTESA-N 2 1 322.880 3.496 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246595066 1104611794 /nfs/dbraw/zinc/61/17/94/1104611794.db2.gz XLRKVSYNYQDRGJ-SFNKJDCFSA-N 2 1 324.509 3.351 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001246594338 1104612003 /nfs/dbraw/zinc/61/20/03/1104612003.db2.gz PZTSWYAKUXGROH-HNNXBMFYSA-N 2 1 321.896 3.370 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3cc4c(cc3C2)OCO4)C[C@H](CC)[NH2+]1 ZINC001246594164 1104612138 /nfs/dbraw/zinc/61/21/38/1104612138.db2.gz DSBGAZZVAFXXCZ-BJWYYQGGSA-N 2 1 316.445 3.083 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)C[C@H](CC)[NH2+]1 ZINC001246594164 1104612142 /nfs/dbraw/zinc/61/21/42/1104612142.db2.gz DSBGAZZVAFXXCZ-BJWYYQGGSA-N 2 1 316.445 3.083 20 0 DGADMP CC[N@@H+]1C[C@@H]2CC[NH+](CCc3c[nH]c4ccccc34)CC[C@@H]2C1 ZINC001275086432 1104618042 /nfs/dbraw/zinc/61/80/42/1104618042.db2.gz LSYMSJXZTZFOIA-HDICACEKSA-N 2 1 311.473 3.374 20 0 DGADMP CC[NH+]1C[C@@H]2CC[N@@H+](CCc3c[nH]c4ccccc34)CC[C@@H]2C1 ZINC001275086432 1104618047 /nfs/dbraw/zinc/61/80/47/1104618047.db2.gz LSYMSJXZTZFOIA-HDICACEKSA-N 2 1 311.473 3.374 20 0 DGADMP CC[NH+]1C[C@@H]2CC[N@H+](CCc3c[nH]c4ccccc34)CC[C@@H]2C1 ZINC001275086432 1104618051 /nfs/dbraw/zinc/61/80/51/1104618051.db2.gz LSYMSJXZTZFOIA-HDICACEKSA-N 2 1 311.473 3.374 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)C2 ZINC001246600831 1104618299 /nfs/dbraw/zinc/61/82/99/1104618299.db2.gz DWGQDBBNQAHRLD-MAUKXSAKSA-N 2 1 304.865 3.273 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600349 1104618355 /nfs/dbraw/zinc/61/83/55/1104618355.db2.gz FQDZRCUTBIXDJH-HKUYNNGSSA-N 2 1 324.509 3.353 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN[C@H](Cc2ccccc2)C1 ZINC001246602796 1104620127 /nfs/dbraw/zinc/62/01/27/1104620127.db2.gz PQKSKUHHNOTBMW-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246602796 1104620132 /nfs/dbraw/zinc/62/01/32/1104620132.db2.gz PQKSKUHHNOTBMW-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246606112 1104622581 /nfs/dbraw/zinc/62/25/81/1104622581.db2.gz LXZWPPXBTWOPPP-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610144 1104623940 /nfs/dbraw/zinc/62/39/40/1104623940.db2.gz KWHOTWBFIWHNJN-MAUKXSAKSA-N 2 1 304.865 3.273 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246607957 1104624716 /nfs/dbraw/zinc/62/47/16/1104624716.db2.gz GHOBMEZVUFVYCF-MRXNPFEDSA-N 2 1 310.482 3.107 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246610918 1104626081 /nfs/dbraw/zinc/62/60/81/1104626081.db2.gz SMCFRCCMXBOSTH-PBHICJAKSA-N 2 1 308.466 3.382 20 0 DGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001246610533 1104626335 /nfs/dbraw/zinc/62/63/35/1104626335.db2.gz BNQMQYKEFRIWMM-SFHVURJKSA-N 2 1 316.489 3.018 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246616523 1104629729 /nfs/dbraw/zinc/62/97/29/1104629729.db2.gz AZDDFEMTBJDJAM-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246616523 1104629733 /nfs/dbraw/zinc/62/97/33/1104629733.db2.gz AZDDFEMTBJDJAM-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1(C)C ZINC001246615596 1104630204 /nfs/dbraw/zinc/63/02/04/1104630204.db2.gz XFENYGQOZZUACM-IBGZPJMESA-N 3 1 307.526 3.103 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1(C)C ZINC001246615596 1104630208 /nfs/dbraw/zinc/63/02/08/1104630208.db2.gz XFENYGQOZZUACM-IBGZPJMESA-N 3 1 307.526 3.103 20 0 DGADMP c1ccc(OC2CCC([NH+]3CC4(C3)CCC[NH2+]C4)CC2)cc1 ZINC001246618379 1104631193 /nfs/dbraw/zinc/63/11/93/1104631193.db2.gz KMTSTZPPHPMTKG-UHFFFAOYSA-N 2 1 300.446 3.062 20 0 DGADMP CCCC[NH+]1CCC2(CCC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001275117990 1104632229 /nfs/dbraw/zinc/63/22/29/1104632229.db2.gz QUMDCBFHLLCHCC-UHFFFAOYSA-N 2 1 318.509 3.381 20 0 DGADMP CCCC[NH+]1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275118343 1104633152 /nfs/dbraw/zinc/63/31/52/1104633152.db2.gz XIYWZEGOIBXBAK-UHFFFAOYSA-N 2 1 317.477 3.265 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC001246624516 1104633223 /nfs/dbraw/zinc/63/32/23/1104633223.db2.gz NLGZNUHKWJIPRX-SCRDCRAPSA-N 2 1 311.256 3.002 20 0 DGADMP C[C@@H](Cc1ccccc1F)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246626499 1104634157 /nfs/dbraw/zinc/63/41/57/1104634157.db2.gz USPBBJHUIAQOPT-QFBILLFUSA-N 2 1 324.443 3.446 20 0 DGADMP CCCCC[N@H+]1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120079 1104634714 /nfs/dbraw/zinc/63/47/14/1104634714.db2.gz DDZCFFMHIATYRM-IBGZPJMESA-N 2 1 317.477 3.265 20 0 DGADMP CCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275121279 1104634742 /nfs/dbraw/zinc/63/47/42/1104634742.db2.gz SUAMPZBACSTWCR-HDICACEKSA-N 2 1 318.509 3.237 20 0 DGADMP CCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275121279 1104634745 /nfs/dbraw/zinc/63/47/45/1104634745.db2.gz SUAMPZBACSTWCR-HDICACEKSA-N 2 1 318.509 3.237 20 0 DGADMP CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275121279 1104634747 /nfs/dbraw/zinc/63/47/47/1104634747.db2.gz SUAMPZBACSTWCR-HDICACEKSA-N 2 1 318.509 3.237 20 0 DGADMP CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275121279 1104634749 /nfs/dbraw/zinc/63/47/49/1104634749.db2.gz SUAMPZBACSTWCR-HDICACEKSA-N 2 1 318.509 3.237 20 0 DGADMP Clc1cccc2c1C[C@H]([NH+]1CCC3(CCC[NH2+]3)CC1)CC2 ZINC001246626124 1104634716 /nfs/dbraw/zinc/63/47/16/1104634716.db2.gz SVKBGJAAYYPWSM-OAHLLOKOSA-N 2 1 304.865 3.415 20 0 DGADMP CCC(C)(C)C1CCC([N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246627805 1104634889 /nfs/dbraw/zinc/63/48/89/1104634889.db2.gz ZSNWTEXKVKYEOC-TVPLGVNVSA-N 2 1 308.510 3.436 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246627805 1104634890 /nfs/dbraw/zinc/63/48/90/1104634890.db2.gz ZSNWTEXKVKYEOC-TVPLGVNVSA-N 2 1 308.510 3.436 20 0 DGADMP CCCCC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275121517 1104637047 /nfs/dbraw/zinc/63/70/47/1104637047.db2.gz YRFXUHYHYKHIMK-UHFFFAOYSA-N 2 1 304.482 3.278 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629744 1104637241 /nfs/dbraw/zinc/63/72/41/1104637241.db2.gz ZNOFUVQWSBVWRL-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246635048 1104638678 /nfs/dbraw/zinc/63/86/78/1104638678.db2.gz JFKBCFPKIMMHFF-AZUAARDMSA-N 2 1 316.489 3.018 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634555 1104638892 /nfs/dbraw/zinc/63/88/92/1104638892.db2.gz OLZMGANXCVLQAW-LPHOPBHVSA-N 2 1 320.427 3.430 20 0 DGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)C2)cc1 ZINC001246638447 1104640215 /nfs/dbraw/zinc/64/02/15/1104640215.db2.gz OVAGNLDQYCXEEZ-AABGKKOBSA-N 2 1 314.473 3.025 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246639180 1104640785 /nfs/dbraw/zinc/64/07/85/1104640785.db2.gz NPSVYIIPLQOOAG-HNNXBMFYSA-N 2 1 304.865 3.273 20 0 DGADMP C1CC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@@H](C2CC[NH2+]CC2)C1 ZINC001246644775 1104643831 /nfs/dbraw/zinc/64/38/31/1104643831.db2.gz LTVFPZHNCXIZFS-IOJLRTSASA-N 3 1 319.537 3.153 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C2 ZINC001246647764 1104645066 /nfs/dbraw/zinc/64/50/66/1104645066.db2.gz UBFPDYABSHFVGA-QUCCMNQESA-N 2 1 314.473 3.017 20 0 DGADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659121 1104650673 /nfs/dbraw/zinc/65/06/73/1104650673.db2.gz FEWKNMMWCRHUIR-KQLYMOGASA-N 2 1 306.453 3.486 20 0 DGADMP c1ccc(COC2CCC([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)CC2)cc1 ZINC001246659368 1104651330 /nfs/dbraw/zinc/65/13/30/1104651330.db2.gz RTBWHJRZHGEMIR-OAHAVBBTSA-N 2 1 314.473 3.198 20 0 DGADMP c1ccc(OC2CCC([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)CC2)cc1 ZINC001246660423 1104652331 /nfs/dbraw/zinc/65/23/31/1104652331.db2.gz TZQWNBADUFOAEO-JVDULTGUSA-N 2 1 300.446 3.060 20 0 DGADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001275151478 1104653616 /nfs/dbraw/zinc/65/36/16/1104653616.db2.gz GEAHWHYBBMNEAI-IBGZPJMESA-N 2 1 309.542 3.162 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1C[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246672652 1104655647 /nfs/dbraw/zinc/65/56/47/1104655647.db2.gz KFKVMFNXOHIGAY-XJKCOSOUSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1C[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246672652 1104655651 /nfs/dbraw/zinc/65/56/51/1104655651.db2.gz KFKVMFNXOHIGAY-XJKCOSOUSA-N 2 1 311.256 3.144 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246676311 1104657185 /nfs/dbraw/zinc/65/71/85/1104657185.db2.gz BRQXEVDRJYRNHX-WDSOQIARSA-N 2 1 316.489 3.338 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246679004 1104658886 /nfs/dbraw/zinc/65/88/86/1104658886.db2.gz QNIOGZZTPMLHMP-BZSNNMDCSA-N 2 1 316.464 3.395 20 0 DGADMP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@@H]4CCCC5(CCCCC5)C4)C[C@@H]13)O2 ZINC001246683368 1104659969 /nfs/dbraw/zinc/65/99/69/1104659969.db2.gz IILDREBRGYTONU-SOAMZJECSA-N 2 1 318.505 3.332 20 0 DGADMP Fc1cc2c(cc1F)CC([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246679623 1104660238 /nfs/dbraw/zinc/66/02/38/1104660238.db2.gz WVGGCBUDTPEHPL-KBPBESRZSA-N 2 1 320.427 3.144 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275163435 1104660377 /nfs/dbraw/zinc/66/03/77/1104660377.db2.gz REMAMFOTDOQUOV-OKILXGFUSA-N 2 1 315.383 3.111 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CC1 ZINC001246680958 1104660479 /nfs/dbraw/zinc/66/04/79/1104660479.db2.gz YDCNOTWYJYKJAR-OCDPCBSRSA-N 2 1 310.485 3.355 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246685370 1104661937 /nfs/dbraw/zinc/66/19/37/1104661937.db2.gz HSFCVUFJBNOLKK-ZWKOTPCHSA-N 2 1 321.896 3.239 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001246691558 1104662095 /nfs/dbraw/zinc/66/20/95/1104662095.db2.gz LHBPCLZJAQZZQT-PMACEKPBSA-N 2 1 324.468 3.490 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692759 1104664273 /nfs/dbraw/zinc/66/42/73/1104664273.db2.gz OMNWUNQBSIYJTJ-XOKHGSTOSA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692759 1104664279 /nfs/dbraw/zinc/66/42/79/1104664279.db2.gz OMNWUNQBSIYJTJ-XOKHGSTOSA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692752 1104664480 /nfs/dbraw/zinc/66/44/80/1104664480.db2.gz OMNWUNQBSIYJTJ-COXVUDFISA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692752 1104664483 /nfs/dbraw/zinc/66/44/83/1104664483.db2.gz OMNWUNQBSIYJTJ-COXVUDFISA-N 2 1 310.844 3.295 20 0 DGADMP C([C@H]1CCOC1)[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275172853 1104665036 /nfs/dbraw/zinc/66/50/36/1104665036.db2.gz XFUKHZZZAXMKND-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCOC1)[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275172853 1104665037 /nfs/dbraw/zinc/66/50/37/1104665037.db2.gz XFUKHZZZAXMKND-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCOC1)[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275172853 1104665042 /nfs/dbraw/zinc/66/50/42/1104665042.db2.gz XFUKHZZZAXMKND-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC[NH2+]1 ZINC001246715236 1104665682 /nfs/dbraw/zinc/66/56/82/1104665682.db2.gz QQHYWCYXIJQDSM-MDNKFWRPSA-N 2 1 314.473 3.166 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001246769220 1104667635 /nfs/dbraw/zinc/66/76/35/1104667635.db2.gz QRHOJOARKSYKKK-QRKUABHPSA-N 2 1 314.473 3.181 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246777178 1104669145 /nfs/dbraw/zinc/66/91/45/1104669145.db2.gz KNHWAJOFFQKPCI-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246777178 1104669148 /nfs/dbraw/zinc/66/91/48/1104669148.db2.gz KNHWAJOFFQKPCI-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246775463 1104669327 /nfs/dbraw/zinc/66/93/27/1104669327.db2.gz AQWKLEAYXQEFJL-KSZLIROESA-N 2 1 302.462 3.225 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246780149 1104670383 /nfs/dbraw/zinc/67/03/83/1104670383.db2.gz AKUCUMJFPGRHAE-AABGKKOBSA-N 2 1 316.489 3.241 20 0 DGADMP COCC[N@H+](C(C)C)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785825 1104673568 /nfs/dbraw/zinc/67/35/68/1104673568.db2.gz LITLNGRSKMMXTQ-SJLPKXTDSA-N 2 1 308.441 3.284 20 0 DGADMP COCC[N@@H+](C(C)C)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785825 1104673571 /nfs/dbraw/zinc/67/35/71/1104673571.db2.gz LITLNGRSKMMXTQ-SJLPKXTDSA-N 2 1 308.441 3.284 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246784608 1104673771 /nfs/dbraw/zinc/67/37/71/1104673771.db2.gz YVQNCHINLVUSFF-QWFCFKBJSA-N 2 1 314.473 3.370 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246785652 1104673842 /nfs/dbraw/zinc/67/38/42/1104673842.db2.gz LNAJAFPQGIIFEB-FUHWJXTLSA-N 2 1 302.462 3.369 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246784638 1104673879 /nfs/dbraw/zinc/67/38/79/1104673879.db2.gz HGFDCULXXBUGSW-ZIFCJYIRSA-N 2 1 302.462 3.451 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246787493 1104675007 /nfs/dbraw/zinc/67/50/07/1104675007.db2.gz QKYJLEVMEHWWLR-GOSISDBHSA-N 2 1 300.446 3.062 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246787919 1104675435 /nfs/dbraw/zinc/67/54/35/1104675435.db2.gz SDNQMVIKYIWARU-BHIYHBOVSA-N 2 1 318.436 3.201 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CCCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246788961 1104676734 /nfs/dbraw/zinc/67/67/34/1104676734.db2.gz AGNSSUZJLMZZII-UHFFFAOYSA-N 2 1 300.446 3.062 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246791035 1104677667 /nfs/dbraw/zinc/67/76/67/1104677667.db2.gz PQFSZXUZXMPLAT-OAGGEKHMSA-N 2 1 324.509 3.207 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246795819 1104679652 /nfs/dbraw/zinc/67/96/52/1104679652.db2.gz KGBCEAKXGPLSIS-NXHRZFHOSA-N 2 1 317.477 3.092 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001275223504 1104681861 /nfs/dbraw/zinc/68/18/61/1104681861.db2.gz APIJMFGLZBMBTG-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001275223504 1104681864 /nfs/dbraw/zinc/68/18/64/1104681864.db2.gz APIJMFGLZBMBTG-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3cncnc3)cc1)C2 ZINC001275223504 1104681868 /nfs/dbraw/zinc/68/18/68/1104681868.db2.gz APIJMFGLZBMBTG-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001275223480 1104682359 /nfs/dbraw/zinc/68/23/59/1104682359.db2.gz AFWNMWIRHZFJJL-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246800430 1104682684 /nfs/dbraw/zinc/68/26/84/1104682684.db2.gz XDPUSGDKVKPBLJ-WUJZJPHMSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246809630 1104685137 /nfs/dbraw/zinc/68/51/37/1104685137.db2.gz XNGIMEMSWHRXMY-WUJZJPHMSA-N 2 1 322.493 3.105 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCc2cccc(OC)c2)CC[NH2+]1 ZINC001246813648 1104687627 /nfs/dbraw/zinc/68/76/27/1104687627.db2.gz LBRKNZCYCZEXOW-MSOLQXFVSA-N 2 1 304.478 3.480 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1Br)CC2 ZINC001275246057 1104691281 /nfs/dbraw/zinc/69/12/81/1104691281.db2.gz WVHMYSDAHPWRMN-UHFFFAOYSA-N 2 1 323.278 3.367 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246838777 1104699045 /nfs/dbraw/zinc/69/90/45/1104699045.db2.gz GIOPFRNKQPBWDH-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246841555 1104700798 /nfs/dbraw/zinc/70/07/98/1104700798.db2.gz UUBUOKKUKWLJLY-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246841557 1104701251 /nfs/dbraw/zinc/70/12/51/1104701251.db2.gz UUBUOKKUKWLJLY-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP CC[N@@H+](Cc1ccc(Cl)cc1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246842596 1104703110 /nfs/dbraw/zinc/70/31/10/1104703110.db2.gz ZHWYRZQRIBDUAS-UHFFFAOYSA-N 2 1 322.880 3.463 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246842434 1104703505 /nfs/dbraw/zinc/70/35/05/1104703505.db2.gz RZUDGLJWRMYTEK-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC001246842717 1104703520 /nfs/dbraw/zinc/70/35/20/1104703520.db2.gz UXHMPKRTKAUQSW-ACBHZAAOSA-N 2 1 302.462 3.073 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c(C)c1 ZINC001246851516 1104707373 /nfs/dbraw/zinc/70/73/73/1104707373.db2.gz KPJOZMWIRPOHOJ-OALUTQOASA-N 2 1 315.505 3.202 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246847899 1104707870 /nfs/dbraw/zinc/70/78/70/1104707870.db2.gz YVQNCHINLVUSFF-WSTZPKSXSA-N 2 1 314.473 3.370 20 0 DGADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246855663 1104709328 /nfs/dbraw/zinc/70/93/28/1104709328.db2.gz AQXXGHDVNUQXHR-SJORKVTESA-N 2 1 322.493 3.107 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246860147 1104710891 /nfs/dbraw/zinc/71/08/91/1104710891.db2.gz GSYCHXMRQMNJFF-MJGOQNOKSA-N 2 1 304.478 3.336 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246860145 1104710931 /nfs/dbraw/zinc/71/09/31/1104710931.db2.gz GSYCHXMRQMNJFF-IEBWSBKVSA-N 2 1 304.478 3.336 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857042 1104711370 /nfs/dbraw/zinc/71/13/70/1104711370.db2.gz ZHVCRYCZGBYGAN-XEZPLFJOSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857042 1104711376 /nfs/dbraw/zinc/71/13/76/1104711376.db2.gz ZHVCRYCZGBYGAN-XEZPLFJOSA-N 2 1 311.256 3.274 20 0 DGADMP Fc1cccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275298817 1104713175 /nfs/dbraw/zinc/71/31/75/1104713175.db2.gz ZFRZQBYATMBAQD-UHFFFAOYSA-N 2 1 313.420 3.252 20 0 DGADMP COC(=O)[C@H]([NH3+])C1CC[NH+](C2CCC3(CCCCC3)CC2)CC1 ZINC001246870371 1104713871 /nfs/dbraw/zinc/71/38/71/1104713871.db2.gz VWAWZYVXELLJNY-QGZVFWFLSA-N 2 1 322.493 3.092 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)CCc2ccc(Cl)cc21 ZINC001246869525 1104714396 /nfs/dbraw/zinc/71/43/96/1104714396.db2.gz IFJKEWCGRKQZDQ-SWLSCSKDSA-N 2 1 322.905 3.149 20 0 DGADMP C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC001246876053 1104716386 /nfs/dbraw/zinc/71/63/86/1104716386.db2.gz XXGKEJZAZAPENO-LNLFQRSKSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[NH2+][C@@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246878562 1104718267 /nfs/dbraw/zinc/71/82/67/1104718267.db2.gz RMQJSZMUWWPBFE-GNBUJSLZSA-N 2 1 315.505 3.112 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246891892 1104726301 /nfs/dbraw/zinc/72/63/01/1104726301.db2.gz NWFXWQMOGVPDOC-AABGKKOBSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246891894 1104726396 /nfs/dbraw/zinc/72/63/96/1104726396.db2.gz NWFXWQMOGVPDOC-SLFFLAALSA-N 2 1 314.473 3.200 20 0 DGADMP COc1cccc2c1CC[N@@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246908187 1104732672 /nfs/dbraw/zinc/73/26/72/1104732672.db2.gz WIEMOCPOCKPWEQ-CRAIPNDOSA-N 2 1 302.462 3.220 20 0 DGADMP COc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246908187 1104732678 /nfs/dbraw/zinc/73/26/78/1104732678.db2.gz WIEMOCPOCKPWEQ-CRAIPNDOSA-N 2 1 302.462 3.220 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246911837 1104733430 /nfs/dbraw/zinc/73/34/30/1104733430.db2.gz DNJWLCJSDTYHTH-KSWRQPAISA-N 2 1 322.493 3.102 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246911875 1104734215 /nfs/dbraw/zinc/73/42/15/1104734215.db2.gz DNJWLCJSDTYHTH-SIRPWMCASA-N 2 1 322.493 3.102 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)c1 ZINC001246917792 1104736471 /nfs/dbraw/zinc/73/64/71/1104736471.db2.gz XJCBMXAVXMCHIH-ZWKOTPCHSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275370265 1104739957 /nfs/dbraw/zinc/73/99/57/1104739957.db2.gz QKXJBWOJAACDHA-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275370265 1104739964 /nfs/dbraw/zinc/73/99/64/1104739964.db2.gz QKXJBWOJAACDHA-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275370265 1104739968 /nfs/dbraw/zinc/73/99/68/1104739968.db2.gz QKXJBWOJAACDHA-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935456 1104742513 /nfs/dbraw/zinc/74/25/13/1104742513.db2.gz FGFCANFHPNFHFQ-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP CCCC[C@@H]1CN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246935704 1104742526 /nfs/dbraw/zinc/74/25/26/1104742526.db2.gz VMCJNMZEOPJDFZ-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936417 1104742585 /nfs/dbraw/zinc/74/25/85/1104742585.db2.gz IRGPIDBVKPPQCU-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246936350 1104743459 /nfs/dbraw/zinc/74/34/59/1104743459.db2.gz HSNUDHNQDBLBLV-YZGWKJHDSA-N 3 1 319.537 3.153 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCSC2)cc1 ZINC001246936852 1104745046 /nfs/dbraw/zinc/74/50/46/1104745046.db2.gz KILCOYCSTNOYRH-KRWDZBQOSA-N 2 1 308.466 3.133 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CC(C)C)[C@@H]2CCCNC2)CC1 ZINC001246953578 1104750969 /nfs/dbraw/zinc/75/09/69/1104750969.db2.gz ROVYWJGUJPYXBU-CTWPCTMYSA-N 2 1 309.542 3.349 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246962698 1104752054 /nfs/dbraw/zinc/75/20/54/1104752054.db2.gz DCBQZCSQNQAFKE-GUDVDZBRSA-N 3 1 319.537 3.281 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246965829 1104753962 /nfs/dbraw/zinc/75/39/62/1104753962.db2.gz RDOBCALXOYVPGO-QQTVYSQJSA-N 3 1 305.510 3.032 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC[NH2+]1 ZINC001246965276 1104754202 /nfs/dbraw/zinc/75/42/02/1104754202.db2.gz GYJZWQIFQIVRBH-FGTMMUONSA-N 2 1 317.477 3.154 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CCc1ccc(OC)cc1 ZINC001246971318 1104755593 /nfs/dbraw/zinc/75/55/93/1104755593.db2.gz AHRIOZAHMNGREQ-AEFFLSMTSA-N 2 1 304.478 3.338 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246971534 1104755916 /nfs/dbraw/zinc/75/59/16/1104755916.db2.gz HDHPUYPCTABLEO-CRAIPNDOSA-N 2 1 314.473 3.017 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246971547 1104756500 /nfs/dbraw/zinc/75/65/00/1104756500.db2.gz HDHPUYPCTABLEO-YJBOKZPZSA-N 2 1 314.473 3.017 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246975223 1104757928 /nfs/dbraw/zinc/75/79/28/1104757928.db2.gz NRUYASFWMHHBPZ-JMGFVUJMSA-N 2 1 312.379 3.306 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CS2 ZINC001246975008 1104759023 /nfs/dbraw/zinc/75/90/23/1104759023.db2.gz RMSSEWDTONSUNZ-YOEHRIQHSA-N 2 1 302.487 3.167 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CCC(CC2CC[NH2+]CC2)CC1 ZINC001246977879 1104759599 /nfs/dbraw/zinc/75/95/99/1104759599.db2.gz FXDOENZATKUVTI-QGZVFWFLSA-N 2 1 309.542 3.209 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246977176 1104760074 /nfs/dbraw/zinc/76/00/74/1104760074.db2.gz CJKCLZRDFVVWRH-NXHRZFHOSA-N 2 1 306.425 3.055 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246976943 1104760211 /nfs/dbraw/zinc/76/02/11/1104760211.db2.gz GMJHJLZVPKQGGP-CRAIPNDOSA-N 2 1 318.461 3.404 20 0 DGADMP Clc1cccc2c1C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246979701 1104760809 /nfs/dbraw/zinc/76/08/09/1104760809.db2.gz ZRPFWNBCBZIJRL-MRXNPFEDSA-N 2 1 304.865 3.414 20 0 DGADMP FC1(F)C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC[C@@H]1Cc1ccccc1 ZINC001246989375 1104765274 /nfs/dbraw/zinc/76/52/74/1104765274.db2.gz RCVFYSPUTUNZKK-IAGOWNOFSA-N 2 1 320.427 3.328 20 0 DGADMP FC1(F)C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC[C@@H]1Cc1ccccc1 ZINC001246989375 1104765278 /nfs/dbraw/zinc/76/52/78/1104765278.db2.gz RCVFYSPUTUNZKK-IAGOWNOFSA-N 2 1 320.427 3.328 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc3cccnc3cc1F)C2 ZINC001275470675 1104768734 /nfs/dbraw/zinc/76/87/34/1104768734.db2.gz IUMPPYNRYDHBTL-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP CCCC1CCC([N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CC1 ZINC001246995232 1104768900 /nfs/dbraw/zinc/76/89/00/1104768900.db2.gz SHDVGOCPYANGRQ-UHFFFAOYSA-N 2 1 321.553 3.494 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246996678 1104769113 /nfs/dbraw/zinc/76/91/13/1104769113.db2.gz IFRJMSVCOHASJZ-QOIOWGMHSA-N 2 1 314.448 3.104 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996969 1104769449 /nfs/dbraw/zinc/76/94/49/1104769449.db2.gz JEOBCQGQFWBFGQ-DOXZYTNZSA-N 2 1 302.437 3.246 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247000996 1104771502 /nfs/dbraw/zinc/77/15/02/1104771502.db2.gz YQZKJIGCRGVGNK-ROYATCLZSA-N 2 1 314.448 3.389 20 0 DGADMP c1ccc2c(c1)CC1(CC[NH+](C3CC[NH+](C4CC4)CC3)CC1)N2 ZINC001247003463 1104772453 /nfs/dbraw/zinc/77/24/53/1104772453.db2.gz SEUIEIJZXWPGBI-UHFFFAOYSA-N 2 1 311.473 3.116 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001247003654 1104772611 /nfs/dbraw/zinc/77/26/11/1104772611.db2.gz XFWAHJRZHQVJTA-SFHVURJKSA-N 2 1 314.473 3.234 20 0 DGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247006318 1104774387 /nfs/dbraw/zinc/77/43/87/1104774387.db2.gz IMZJLGVLAUYUKT-YESZJQIVSA-N 2 1 324.509 3.066 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247013207 1104777424 /nfs/dbraw/zinc/77/74/24/1104777424.db2.gz GEENHDQQUWKPIA-RYQLBKOJSA-N 2 1 304.865 3.271 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1 ZINC001275790209 1104909037 /nfs/dbraw/zinc/90/90/37/1104909037.db2.gz JLVFEGRRBHVMLW-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C)c1 ZINC001275790209 1104909040 /nfs/dbraw/zinc/90/90/40/1104909040.db2.gz JLVFEGRRBHVMLW-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(C)c1 ZINC001275790209 1104909044 /nfs/dbraw/zinc/90/90/44/1104909044.db2.gz JLVFEGRRBHVMLW-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP Cc1ccc(-c2ccc(-c3noc([C@H]([NH3+])CCC[NH3+])n3)cc2)cc1 ZINC001247508492 1104916182 /nfs/dbraw/zinc/91/61/82/1104916182.db2.gz RTWQDFXTJIKSQK-QGZVFWFLSA-N 2 1 322.412 3.451 20 0 DGADMP c1c[nH]c(C[NH2+][C@]23CC[C@]([NH2+]Cc4ccccn4)(C2)CCC3)c1 ZINC001275872033 1104939967 /nfs/dbraw/zinc/93/99/67/1104939967.db2.gz AXCWRWYLBWXKPI-RBUKOAKNSA-N 2 1 310.445 3.135 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001247693704 1104957453 /nfs/dbraw/zinc/95/74/53/1104957453.db2.gz RZJSFGIOWBVJNM-NSHDSACASA-N 2 1 315.204 3.172 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1C ZINC001275962133 1104969664 /nfs/dbraw/zinc/96/96/64/1104969664.db2.gz BKJMNQZVBDQADF-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cn1 ZINC001276049827 1105005380 /nfs/dbraw/zinc/00/53/80/1105005380.db2.gz IYOPJGVEMDWNDN-UHFFFAOYSA-N 2 1 317.477 3.177 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276130236 1105026147 /nfs/dbraw/zinc/02/61/47/1105026147.db2.gz ZUHLGNONTPVXLN-UHFFFAOYSA-N 2 1 310.445 3.013 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276130236 1105026151 /nfs/dbraw/zinc/02/61/51/1105026151.db2.gz ZUHLGNONTPVXLN-UHFFFAOYSA-N 2 1 310.445 3.013 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c(Cl)c1 ZINC001248194641 1105066030 /nfs/dbraw/zinc/06/60/30/1105066030.db2.gz KRFYGFPGXNGOGJ-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP C[N@@H+](Cc1ccc2n1CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248824382 1105171153 /nfs/dbraw/zinc/17/11/53/1105171153.db2.gz KVJPZFFKBYAQPE-LJQANCHMSA-N 2 1 323.484 3.388 20 0 DGADMP C[N@H+](Cc1ccc2n1CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248824382 1105171157 /nfs/dbraw/zinc/17/11/57/1105171157.db2.gz KVJPZFFKBYAQPE-LJQANCHMSA-N 2 1 323.484 3.388 20 0 DGADMP C[NH+](Cc1ccc2n1CCC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001248824382 1105171161 /nfs/dbraw/zinc/17/11/61/1105171161.db2.gz KVJPZFFKBYAQPE-LJQANCHMSA-N 2 1 323.484 3.388 20 0 DGADMP C[NH+](Cc1ccc2n1CCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001248824382 1105171164 /nfs/dbraw/zinc/17/11/64/1105171164.db2.gz KVJPZFFKBYAQPE-LJQANCHMSA-N 2 1 323.484 3.388 20 0 DGADMP CC(C)c1ccc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)cc1 ZINC001248896115 1105189012 /nfs/dbraw/zinc/18/90/12/1105189012.db2.gz LUHWXPCJOKPFQY-INIZCTEOSA-N 2 1 314.433 3.250 20 0 DGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2ccc3ccccc3c2)no1 ZINC001248896632 1105189041 /nfs/dbraw/zinc/18/90/41/1105189041.db2.gz ROPLSISVRURYSF-QGZVFWFLSA-N 2 1 322.412 3.279 20 0 DGADMP Cc1ccc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)c(Cl)c1 ZINC001248896254 1105189089 /nfs/dbraw/zinc/18/90/89/1105189089.db2.gz NKOJACVEKVLBPI-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001278516883 1105295597 /nfs/dbraw/zinc/29/55/97/1105295597.db2.gz XHDXJDWZBNWWQS-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001278516883 1105295598 /nfs/dbraw/zinc/29/55/98/1105295598.db2.gz XHDXJDWZBNWWQS-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001278516883 1105295599 /nfs/dbraw/zinc/29/55/99/1105295599.db2.gz XHDXJDWZBNWWQS-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000469884388 1105295699 /nfs/dbraw/zinc/29/56/99/1105295699.db2.gz NGHCSFVNUVUXAJ-UHOSZYNNSA-N 2 1 302.462 3.425 20 0 DGADMP Cc1c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)nc2ccccn12 ZINC001137272544 1105469183 /nfs/dbraw/zinc/46/91/83/1105469183.db2.gz ZDDLCIWGWGTRQX-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccnc(C)c4)C[C@H]3C2)cc1 ZINC001137409894 1105517373 /nfs/dbraw/zinc/51/73/73/1105517373.db2.gz LNRBMAMKFDTLRJ-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)c(OC)c1 ZINC001137511075 1105533076 /nfs/dbraw/zinc/53/30/76/1105533076.db2.gz WMYSFBSYBFQLJV-UHFFFAOYSA-N 2 1 312.429 3.007 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)c(OC)c1 ZINC001137511075 1105533085 /nfs/dbraw/zinc/53/30/85/1105533085.db2.gz WMYSFBSYBFQLJV-UHFFFAOYSA-N 2 1 312.429 3.007 20 0 DGADMP Cc1cc(C[N@@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)no1 ZINC001251758455 1105692199 /nfs/dbraw/zinc/69/21/99/1105692199.db2.gz QNKWDMBKTQSLPV-UHFFFAOYSA-N 2 1 322.412 3.244 20 0 DGADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)no1 ZINC001251758455 1105692201 /nfs/dbraw/zinc/69/22/01/1105692201.db2.gz QNKWDMBKTQSLPV-UHFFFAOYSA-N 2 1 322.412 3.244 20 0 DGADMP CC1([NH2+]C[C@H](O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001252009888 1105724940 /nfs/dbraw/zinc/72/49/40/1105724940.db2.gz RXJMTLLHSWARTC-FQEVSTJZSA-N 2 1 324.468 3.364 20 0 DGADMP Fc1ccc(CSCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256067158 1105764656 /nfs/dbraw/zinc/76/46/56/1105764656.db2.gz JZRXACAVHYSYCS-UHFFFAOYSA-N 2 1 308.466 3.275 20 0 DGADMP CCC[C@@H](O)CN1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001252786816 1105830951 /nfs/dbraw/zinc/83/09/51/1105830951.db2.gz RBPDKWRZVSXHFB-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001252786816 1105830958 /nfs/dbraw/zinc/83/09/58/1105830958.db2.gz RBPDKWRZVSXHFB-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001252786816 1105830965 /nfs/dbraw/zinc/83/09/65/1105830965.db2.gz RBPDKWRZVSXHFB-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252789830 1105832133 /nfs/dbraw/zinc/83/21/33/1105832133.db2.gz OSEDPNNEJGDATR-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252789830 1105832139 /nfs/dbraw/zinc/83/21/39/1105832139.db2.gz OSEDPNNEJGDATR-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252789830 1105832147 /nfs/dbraw/zinc/83/21/47/1105832147.db2.gz OSEDPNNEJGDATR-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916617 1105853779 /nfs/dbraw/zinc/85/37/79/1105853779.db2.gz GAFYWEDNGFFBRK-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916617 1105853785 /nfs/dbraw/zinc/85/37/85/1105853785.db2.gz GAFYWEDNGFFBRK-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916617 1105853791 /nfs/dbraw/zinc/85/37/91/1105853791.db2.gz GAFYWEDNGFFBRK-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916617 1105853796 /nfs/dbraw/zinc/85/37/96/1105853796.db2.gz GAFYWEDNGFFBRK-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)C[NH+](CC(C)C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252917167 1105854413 /nfs/dbraw/zinc/85/44/13/1105854413.db2.gz NIVMJKXWFVGFKI-HXUWFJFHSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[NH+](CC(C)C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917167 1105854419 /nfs/dbraw/zinc/85/44/19/1105854419.db2.gz NIVMJKXWFVGFKI-HXUWFJFHSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)(CC1CCC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252953303 1105859064 /nfs/dbraw/zinc/85/90/64/1105859064.db2.gz KRTCTAKTVCWCAC-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(CC1CCC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252953303 1105859069 /nfs/dbraw/zinc/85/90/69/1105859069.db2.gz KRTCTAKTVCWCAC-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccccc1 ZINC001253115156 1105893783 /nfs/dbraw/zinc/89/37/83/1105893783.db2.gz HXPSVACESDQKMZ-VQTJNVASSA-N 2 1 312.457 3.177 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC001253181076 1105900449 /nfs/dbraw/zinc/90/04/49/1105900449.db2.gz PPMGERBQOQAGSR-GOSISDBHSA-N 2 1 324.896 3.222 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CCCCC1 ZINC001253214678 1105904414 /nfs/dbraw/zinc/90/44/14/1105904414.db2.gz RUEDRTZMYUNUQX-SFHVURJKSA-N 2 1 322.468 3.277 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC001253405544 1105935657 /nfs/dbraw/zinc/93/56/57/1105935657.db2.gz FYPLJGCJXQSQSE-PWSUYJOCSA-N 2 1 319.276 3.393 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001253406478 1105935987 /nfs/dbraw/zinc/93/59/87/1105935987.db2.gz MPAGRMBPYICIOS-JKSUJKDBSA-N 2 1 310.869 3.130 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCC1 ZINC001253407161 1105936114 /nfs/dbraw/zinc/93/61/14/1105936114.db2.gz FQTNOVXPXUWHKA-IRXDYDNUSA-N 2 1 308.441 3.006 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC001253405839 1105936454 /nfs/dbraw/zinc/93/64/54/1105936454.db2.gz SFNFKDNZEUGCJK-IBGZPJMESA-N 2 1 312.457 3.192 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253723641 1105974108 /nfs/dbraw/zinc/97/41/08/1105974108.db2.gz CFAOBMBVWOXUKD-IBGZPJMESA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254040151 1106012922 /nfs/dbraw/zinc/01/29/22/1106012922.db2.gz QFUKSTJQGZCCRS-SFHVURJKSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+]([C@@H]1Cc2ccc(Br)cc2C1)C1CCC([NH3+])CC1 ZINC001254268047 1106046693 /nfs/dbraw/zinc/04/66/93/1106046693.db2.gz VTVHPMQUPBRZCJ-UYSNPLJNSA-N 2 1 323.278 3.118 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC001254497535 1106081485 /nfs/dbraw/zinc/08/14/85/1106081485.db2.gz LGIWCWJGHDAAOO-LBPRGKRZSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC001254506442 1106085453 /nfs/dbraw/zinc/08/54/53/1106085453.db2.gz SGAQHWKFYPODAS-FHWLQOOXSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001254506753 1106085539 /nfs/dbraw/zinc/08/55/39/1106085539.db2.gz ZBZWZGAEUOTHJG-SMDDNHRTSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001254511732 1106086519 /nfs/dbraw/zinc/08/65/19/1106086519.db2.gz DQSQPWHBCUJWGK-QGZVFWFLSA-N 2 1 321.896 3.074 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001254507493 1106086805 /nfs/dbraw/zinc/08/68/05/1106086805.db2.gz LURNWLMSQZLLDK-QFBILLFUSA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cc(Br)cs2)CC1 ZINC001254514937 1106088278 /nfs/dbraw/zinc/08/82/78/1106088278.db2.gz RASGVUWILMMTBU-LBPRGKRZSA-N 2 1 317.296 3.127 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001254513539 1106089220 /nfs/dbraw/zinc/08/92/20/1106089220.db2.gz DBQYFQDNOCMUOI-DOMZBBRYSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001254513539 1106089227 /nfs/dbraw/zinc/08/92/27/1106089227.db2.gz DBQYFQDNOCMUOI-DOMZBBRYSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001254516758 1106090093 /nfs/dbraw/zinc/09/00/93/1106090093.db2.gz OVBKSINPESCVSP-INIZCTEOSA-N 2 1 313.445 3.492 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254522883 1106090777 /nfs/dbraw/zinc/09/07/77/1106090777.db2.gz KGSLCEVQRSIYMM-VQIMIIECSA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254522883 1106090784 /nfs/dbraw/zinc/09/07/84/1106090784.db2.gz KGSLCEVQRSIYMM-VQIMIIECSA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254522883 1106090787 /nfs/dbraw/zinc/09/07/87/1106090787.db2.gz KGSLCEVQRSIYMM-VQIMIIECSA-N 2 1 318.461 3.023 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254524671 1106092934 /nfs/dbraw/zinc/09/29/34/1106092934.db2.gz YJHRBRJMBUMPSW-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254524671 1106092938 /nfs/dbraw/zinc/09/29/38/1106092938.db2.gz YJHRBRJMBUMPSW-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524671 1106092943 /nfs/dbraw/zinc/09/29/43/1106092943.db2.gz YJHRBRJMBUMPSW-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP COc1ccccc1OC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527318 1106094026 /nfs/dbraw/zinc/09/40/26/1106094026.db2.gz WSXMEYJLQVXUSS-MRXNPFEDSA-N 2 1 318.461 3.023 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254531061 1106094695 /nfs/dbraw/zinc/09/46/95/1106094695.db2.gz CGFOWJSQAAVJJG-QZTJIDSGSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254531061 1106094699 /nfs/dbraw/zinc/09/46/99/1106094699.db2.gz CGFOWJSQAAVJJG-QZTJIDSGSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254531061 1106094705 /nfs/dbraw/zinc/09/47/05/1106094705.db2.gz CGFOWJSQAAVJJG-QZTJIDSGSA-N 2 1 316.445 3.094 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@H+](C)CC2)n1 ZINC001254528908 1106095079 /nfs/dbraw/zinc/09/50/79/1106095079.db2.gz JHSADPOHRRYXQS-FUHWJXTLSA-N 2 1 312.461 3.391 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001254528908 1106095087 /nfs/dbraw/zinc/09/50/87/1106095087.db2.gz JHSADPOHRRYXQS-FUHWJXTLSA-N 2 1 312.461 3.391 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001254527539 1106095294 /nfs/dbraw/zinc/09/52/94/1106095294.db2.gz ZJOFXEKHXDRGKT-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001254527539 1106095300 /nfs/dbraw/zinc/09/53/00/1106095300.db2.gz ZJOFXEKHXDRGKT-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001254527539 1106095305 /nfs/dbraw/zinc/09/53/05/1106095305.db2.gz ZJOFXEKHXDRGKT-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254531804 1106096172 /nfs/dbraw/zinc/09/61/72/1106096172.db2.gz MISSUHCTHBQIEM-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254531804 1106096177 /nfs/dbraw/zinc/09/61/77/1106096177.db2.gz MISSUHCTHBQIEM-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254531804 1106096185 /nfs/dbraw/zinc/09/61/85/1106096185.db2.gz MISSUHCTHBQIEM-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001254533909 1106096318 /nfs/dbraw/zinc/09/63/18/1106096318.db2.gz RELGMSLYMOGALS-INIZCTEOSA-N 2 1 318.436 3.205 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001254533909 1106096324 /nfs/dbraw/zinc/09/63/24/1106096324.db2.gz RELGMSLYMOGALS-INIZCTEOSA-N 2 1 318.436 3.205 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254627819 1106115955 /nfs/dbraw/zinc/11/59/55/1106115955.db2.gz JHBZLHKWJHTNIY-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254627819 1106115956 /nfs/dbraw/zinc/11/59/56/1106115956.db2.gz JHBZLHKWJHTNIY-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254633161 1106117910 /nfs/dbraw/zinc/11/79/10/1106117910.db2.gz VWEZYVVOMMGNLS-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)c1ccccc1 ZINC001254922083 1106155344 /nfs/dbraw/zinc/15/53/44/1106155344.db2.gz KRUTUSNKQMLPHX-VUHPKUFZSA-N 2 1 300.446 3.027 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001255022536 1106168776 /nfs/dbraw/zinc/16/87/76/1106168776.db2.gz HUGKJWSOUFIVDR-UHFFFAOYSA-N 2 1 307.441 3.096 20 0 DGADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)c21 ZINC001255119619 1106184276 /nfs/dbraw/zinc/18/42/76/1106184276.db2.gz XIAOEPBDKICXEK-MJGOQNOKSA-N 2 1 324.472 3.173 20 0 DGADMP C[C@H]([NH3+])c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255127740 1106185030 /nfs/dbraw/zinc/18/50/30/1106185030.db2.gz CDWCKFYKYWPTKP-OWLYRPNTSA-N 2 1 310.445 3.271 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135516 1106186317 /nfs/dbraw/zinc/18/63/17/1106186317.db2.gz CFTHBUHBZSDNDR-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135516 1106186319 /nfs/dbraw/zinc/18/63/19/1106186319.db2.gz CFTHBUHBZSDNDR-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135516 1106186321 /nfs/dbraw/zinc/18/63/21/1106186321.db2.gz CFTHBUHBZSDNDR-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP OC[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135737 1106187503 /nfs/dbraw/zinc/18/75/03/1106187503.db2.gz FHQUCVPAIMIXMM-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135737 1106187506 /nfs/dbraw/zinc/18/75/06/1106187506.db2.gz FHQUCVPAIMIXMM-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135737 1106187509 /nfs/dbraw/zinc/18/75/09/1106187509.db2.gz FHQUCVPAIMIXMM-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135737 1106187511 /nfs/dbraw/zinc/18/75/11/1106187511.db2.gz FHQUCVPAIMIXMM-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136578 1106188336 /nfs/dbraw/zinc/18/83/36/1106188336.db2.gz MJEAZQSILLLSFZ-MVBLQPKNSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136578 1106188338 /nfs/dbraw/zinc/18/83/38/1106188338.db2.gz MJEAZQSILLLSFZ-MVBLQPKNSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136578 1106188343 /nfs/dbraw/zinc/18/83/43/1106188343.db2.gz MJEAZQSILLLSFZ-MVBLQPKNSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136578 1106188346 /nfs/dbraw/zinc/18/83/46/1106188346.db2.gz MJEAZQSILLLSFZ-MVBLQPKNSA-N 2 1 314.473 3.027 20 0 DGADMP C[N@@H+](CC1(C)COC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145227 1106189467 /nfs/dbraw/zinc/18/94/67/1106189467.db2.gz NLEWEJPYTQCTIN-BWTSREIZSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1(C)COC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255145227 1106189469 /nfs/dbraw/zinc/18/94/69/1106189469.db2.gz NLEWEJPYTQCTIN-BWTSREIZSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1(C)COC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255145227 1106189470 /nfs/dbraw/zinc/18/94/70/1106189470.db2.gz NLEWEJPYTQCTIN-BWTSREIZSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145782 1106190735 /nfs/dbraw/zinc/19/07/35/1106190735.db2.gz UVLWCFASLYZZAU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145782 1106190737 /nfs/dbraw/zinc/19/07/37/1106190737.db2.gz UVLWCFASLYZZAU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255145782 1106190741 /nfs/dbraw/zinc/19/07/41/1106190741.db2.gz UVLWCFASLYZZAU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255145782 1106190743 /nfs/dbraw/zinc/19/07/43/1106190743.db2.gz UVLWCFASLYZZAU-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCSC2)CC1 ZINC001255280001 1106215118 /nfs/dbraw/zinc/21/51/18/1106215118.db2.gz TZUPYBGWADQDRR-ULQDDVLXSA-N 2 1 308.466 3.403 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@@H]3CCSC3)CC1)C2 ZINC001255290917 1106216866 /nfs/dbraw/zinc/21/68/66/1106216866.db2.gz NMBFQIMYBSZDAS-GOSISDBHSA-N 2 1 302.487 3.015 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@@H]3CCSC3)CC1)C2 ZINC001255290917 1106216868 /nfs/dbraw/zinc/21/68/68/1106216868.db2.gz NMBFQIMYBSZDAS-GOSISDBHSA-N 2 1 302.487 3.015 20 0 DGADMP CCCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001255325322 1106222432 /nfs/dbraw/zinc/22/24/32/1106222432.db2.gz GFBHGVAORJKTRL-QXAKKESOSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001255325322 1106222433 /nfs/dbraw/zinc/22/24/33/1106222433.db2.gz GFBHGVAORJKTRL-QXAKKESOSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001255325322 1106222436 /nfs/dbraw/zinc/22/24/36/1106222436.db2.gz GFBHGVAORJKTRL-QXAKKESOSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348964 1106229595 /nfs/dbraw/zinc/22/95/95/1106229595.db2.gz GDBTZKYEQOVAQZ-XSLAGTTESA-N 2 1 324.509 3.336 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001255367358 1106232263 /nfs/dbraw/zinc/23/22/63/1106232263.db2.gz MJECHYKYMZWHJR-MSOLQXFVSA-N 2 1 324.509 3.161 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001255367360 1106232385 /nfs/dbraw/zinc/23/23/85/1106232385.db2.gz MJECHYKYMZWHJR-ROUUACIJSA-N 2 1 324.509 3.161 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001255376324 1106235474 /nfs/dbraw/zinc/23/54/74/1106235474.db2.gz BFZHRUYGHYITNR-MOPGFXCFSA-N 2 1 304.478 3.302 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255374790 1106236037 /nfs/dbraw/zinc/23/60/37/1106236037.db2.gz CELKRXSBGYDXPP-SFTDATJTSA-N 2 1 324.468 3.364 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001255379882 1106236423 /nfs/dbraw/zinc/23/64/23/1106236423.db2.gz XYYJVZNWEATNRN-AEFFLSMTSA-N 2 1 324.509 3.305 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001255379883 1106236449 /nfs/dbraw/zinc/23/64/49/1106236449.db2.gz XYYJVZNWEATNRN-FUHWJXTLSA-N 2 1 324.509 3.305 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383986 1106237576 /nfs/dbraw/zinc/23/75/76/1106237576.db2.gz RBNOMGHLGPIRFQ-VQTJNVASSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383986 1106237580 /nfs/dbraw/zinc/23/75/80/1106237580.db2.gz RBNOMGHLGPIRFQ-VQTJNVASSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383986 1106237584 /nfs/dbraw/zinc/23/75/84/1106237584.db2.gz RBNOMGHLGPIRFQ-VQTJNVASSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383986 1106237589 /nfs/dbraw/zinc/23/75/89/1106237589.db2.gz RBNOMGHLGPIRFQ-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383986 1106237591 /nfs/dbraw/zinc/23/75/91/1106237591.db2.gz RBNOMGHLGPIRFQ-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383986 1106237597 /nfs/dbraw/zinc/23/75/97/1106237597.db2.gz RBNOMGHLGPIRFQ-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383986 1106237602 /nfs/dbraw/zinc/23/76/02/1106237602.db2.gz RBNOMGHLGPIRFQ-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)(CO)CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383730 1106237971 /nfs/dbraw/zinc/23/79/71/1106237971.db2.gz MUSFOYKVGJASRP-IBGZPJMESA-N 2 1 318.505 3.429 20 0 DGADMP Fc1cncc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255385324 1106237977 /nfs/dbraw/zinc/23/79/77/1106237977.db2.gz GOANVWDKHWFXOX-IBGZPJMESA-N 2 1 313.420 3.365 20 0 DGADMP Fc1cncc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255385324 1106237979 /nfs/dbraw/zinc/23/79/79/1106237979.db2.gz GOANVWDKHWFXOX-IBGZPJMESA-N 2 1 313.420 3.365 20 0 DGADMP C[C@@H](C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384177 1106238158 /nfs/dbraw/zinc/23/81/58/1106238158.db2.gz UZMWUVDMOFQZPN-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP Fc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC001255389343 1106238954 /nfs/dbraw/zinc/23/89/54/1106238954.db2.gz LNLBAKSZCWEXQG-SFHVURJKSA-N 2 1 313.420 3.365 20 0 DGADMP Fc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255389343 1106238955 /nfs/dbraw/zinc/23/89/55/1106238955.db2.gz LNLBAKSZCWEXQG-SFHVURJKSA-N 2 1 313.420 3.365 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255390014 1106239366 /nfs/dbraw/zinc/23/93/66/1106239366.db2.gz WNNXKUSUXBPTIH-ZWKOTPCHSA-N 2 1 300.446 3.142 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390014 1106239369 /nfs/dbraw/zinc/23/93/69/1106239369.db2.gz WNNXKUSUXBPTIH-ZWKOTPCHSA-N 2 1 300.446 3.142 20 0 DGADMP c1ncc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001255392941 1106240463 /nfs/dbraw/zinc/24/04/63/1106240463.db2.gz JSEIWUHWJZXNDQ-QGZVFWFLSA-N 2 1 315.486 3.330 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001255399252 1106242662 /nfs/dbraw/zinc/24/26/62/1106242662.db2.gz PNOHZTIJKHSFKL-HKUYNNGSSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399252 1106242665 /nfs/dbraw/zinc/24/26/65/1106242665.db2.gz PNOHZTIJKHSFKL-HKUYNNGSSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399252 1106242666 /nfs/dbraw/zinc/24/26/66/1106242666.db2.gz PNOHZTIJKHSFKL-HKUYNNGSSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398318 1106242852 /nfs/dbraw/zinc/24/28/52/1106242852.db2.gz JNSWTVASMAWJQM-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398318 1106242855 /nfs/dbraw/zinc/24/28/55/1106242855.db2.gz JNSWTVASMAWJQM-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398318 1106242858 /nfs/dbraw/zinc/24/28/58/1106242858.db2.gz JNSWTVASMAWJQM-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400891 1106244159 /nfs/dbraw/zinc/24/41/59/1106244159.db2.gz OSEGXZJKGSKETF-LJQANCHMSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400891 1106244162 /nfs/dbraw/zinc/24/41/62/1106244162.db2.gz OSEGXZJKGSKETF-LJQANCHMSA-N 2 1 324.472 3.062 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408091 1106246787 /nfs/dbraw/zinc/24/67/87/1106246787.db2.gz HYNLSZXGFWEFNE-SLFFLAALSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408091 1106246793 /nfs/dbraw/zinc/24/67/93/1106246793.db2.gz HYNLSZXGFWEFNE-SLFFLAALSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408091 1106246797 /nfs/dbraw/zinc/24/67/97/1106246797.db2.gz HYNLSZXGFWEFNE-SLFFLAALSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408091 1106246801 /nfs/dbraw/zinc/24/68/01/1106246801.db2.gz HYNLSZXGFWEFNE-SLFFLAALSA-N 2 1 314.473 3.152 20 0 DGADMP CC(C)[C@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408684 1106246827 /nfs/dbraw/zinc/24/68/27/1106246827.db2.gz PHIUTIRTXPXGHE-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408684 1106246832 /nfs/dbraw/zinc/24/68/32/1106246832.db2.gz PHIUTIRTXPXGHE-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408684 1106246837 /nfs/dbraw/zinc/24/68/37/1106246837.db2.gz PHIUTIRTXPXGHE-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408684 1106246841 /nfs/dbraw/zinc/24/68/41/1106246841.db2.gz PHIUTIRTXPXGHE-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@@H+]([C@@H]1CCCOC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409166 1106247274 /nfs/dbraw/zinc/24/72/74/1106247274.db2.gz GVVITLHPOQVNDY-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409166 1106247276 /nfs/dbraw/zinc/24/72/76/1106247276.db2.gz GVVITLHPOQVNDY-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409166 1106247280 /nfs/dbraw/zinc/24/72/80/1106247280.db2.gz GVVITLHPOQVNDY-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001255444236 1106251199 /nfs/dbraw/zinc/25/11/99/1106251199.db2.gz JZKLZKFVHKBKHK-OAHLLOKOSA-N 2 1 301.409 3.124 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCO1 ZINC001255533430 1106265405 /nfs/dbraw/zinc/26/54/05/1106265405.db2.gz FBUYHHVJISUOFT-CQSZACIVSA-N 2 1 306.425 3.033 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255538332 1106266013 /nfs/dbraw/zinc/26/60/13/1106266013.db2.gz VACQECYBYVGHIH-SZMVWBNQSA-N 2 1 317.477 3.111 20 0 DGADMP CC1(C)C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541941 1106266894 /nfs/dbraw/zinc/26/68/94/1106266894.db2.gz WFBUFMTUNMGYFP-OWCLPIDISA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541941 1106266899 /nfs/dbraw/zinc/26/68/99/1106266899.db2.gz WFBUFMTUNMGYFP-OWCLPIDISA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541941 1106266903 /nfs/dbraw/zinc/26/69/03/1106266903.db2.gz WFBUFMTUNMGYFP-OWCLPIDISA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541941 1106266906 /nfs/dbraw/zinc/26/69/06/1106266906.db2.gz WFBUFMTUNMGYFP-OWCLPIDISA-N 2 1 320.502 3.069 20 0 DGADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001255575206 1106272332 /nfs/dbraw/zinc/27/23/32/1106272332.db2.gz ZBPVLMCJLDCWAA-CWLKWCNXSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001255575206 1106272334 /nfs/dbraw/zinc/27/23/34/1106272334.db2.gz ZBPVLMCJLDCWAA-CWLKWCNXSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001255575206 1106272337 /nfs/dbraw/zinc/27/23/37/1106272337.db2.gz ZBPVLMCJLDCWAA-CWLKWCNXSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001255583558 1106273395 /nfs/dbraw/zinc/27/33/95/1106273395.db2.gz OWHSOHIXEDULEG-CQSZACIVSA-N 2 1 310.869 3.271 20 0 DGADMP COC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001255583558 1106273399 /nfs/dbraw/zinc/27/33/99/1106273399.db2.gz OWHSOHIXEDULEG-CQSZACIVSA-N 2 1 310.869 3.271 20 0 DGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)CC(F)(F)F)CC1 ZINC001255637382 1106281684 /nfs/dbraw/zinc/28/16/84/1106281684.db2.gz JAPGQZZSSYEMIG-LBPRGKRZSA-N 2 1 301.356 3.289 20 0 DGADMP COc1ccccc1C1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255670799 1106290974 /nfs/dbraw/zinc/29/09/74/1106290974.db2.gz BAKGJXWNAIQHND-MQVJKMGUSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1C1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255670799 1106290977 /nfs/dbraw/zinc/29/09/77/1106290977.db2.gz BAKGJXWNAIQHND-MQVJKMGUSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001255684300 1106294593 /nfs/dbraw/zinc/29/45/93/1106294593.db2.gz XTIWIIJHEVHEPH-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001255684300 1106294607 /nfs/dbraw/zinc/29/46/07/1106294607.db2.gz XTIWIIJHEVHEPH-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001255684300 1106294611 /nfs/dbraw/zinc/29/46/11/1106294611.db2.gz XTIWIIJHEVHEPH-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001255684300 1106294613 /nfs/dbraw/zinc/29/46/13/1106294613.db2.gz XTIWIIJHEVHEPH-KAKFPZCNSA-N 2 1 314.473 3.500 20 0 DGADMP Cc1ccc(C[C@H](C)[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001255792537 1106317454 /nfs/dbraw/zinc/31/74/54/1106317454.db2.gz WMZMKJKCMWNQSI-INIZCTEOSA-N 2 1 315.461 3.056 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001255942870 1106345594 /nfs/dbraw/zinc/34/55/94/1106345594.db2.gz IUBJCVCTDQSMPD-CYBMUJFWSA-N 2 1 300.393 3.498 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1cccnc1OC)C1CC1 ZINC001255954571 1106348811 /nfs/dbraw/zinc/34/88/11/1106348811.db2.gz XTTSRLSPLYTSAZ-WMLDXEAASA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001255963094 1106350940 /nfs/dbraw/zinc/35/09/40/1106350940.db2.gz CGJMNTGMFBNMDJ-RTBURBONSA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001255961208 1106351304 /nfs/dbraw/zinc/35/13/04/1106351304.db2.gz LAKIKTCOARENOW-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001255961208 1106351308 /nfs/dbraw/zinc/35/13/08/1106351308.db2.gz LAKIKTCOARENOW-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001255968693 1106351859 /nfs/dbraw/zinc/35/18/59/1106351859.db2.gz FSUISWCYUKENKY-MAUKXSAKSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001255968693 1106351864 /nfs/dbraw/zinc/35/18/64/1106351864.db2.gz FSUISWCYUKENKY-MAUKXSAKSA-N 2 1 308.441 3.399 20 0 DGADMP COc1ccccc1CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072882 1106364993 /nfs/dbraw/zinc/36/49/93/1106364993.db2.gz ZFUZZBGNJMYCBX-UHFFFAOYSA-N 2 1 314.473 3.234 20 0 DGADMP C1=CC[C@@H](C[NH+]2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)CC1 ZINC001256074194 1106365050 /nfs/dbraw/zinc/36/50/50/1106365050.db2.gz OGYXTYYNQYTZCW-QGZVFWFLSA-N 2 1 317.521 3.024 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073220 1106365562 /nfs/dbraw/zinc/36/55/62/1106365562.db2.gz OZWORNTWIWUFPR-OAHLLOKOSA-N 2 1 300.446 3.111 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073220 1106365569 /nfs/dbraw/zinc/36/55/69/1106365569.db2.gz OZWORNTWIWUFPR-OAHLLOKOSA-N 2 1 300.446 3.111 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080512 1106366676 /nfs/dbraw/zinc/36/66/76/1106366676.db2.gz YCCWZQVIMYHINC-FQEVSTJZSA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080512 1106366680 /nfs/dbraw/zinc/36/66/80/1106366680.db2.gz YCCWZQVIMYHINC-FQEVSTJZSA-N 2 1 314.473 3.294 20 0 DGADMP COc1cccc(C[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001256157167 1106381483 /nfs/dbraw/zinc/38/14/83/1106381483.db2.gz UECZZRVMWXYLPT-INIZCTEOSA-N 2 1 302.462 3.186 20 0 DGADMP C[NH+]1CCC([NH2+]CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001256196674 1106389141 /nfs/dbraw/zinc/38/91/41/1106389141.db2.gz UQOFTGYQMUSRHN-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](CC2CCOCC2)c2ccccc2F)CC1 ZINC001256202070 1106389788 /nfs/dbraw/zinc/38/97/88/1106389788.db2.gz WLPWIZUBYYQNCB-LJQANCHMSA-N 2 1 320.452 3.367 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001256199814 1106390025 /nfs/dbraw/zinc/39/00/25/1106390025.db2.gz XLGQTGGKLLTPDL-LJQANCHMSA-N 2 1 320.452 3.367 20 0 DGADMP CCOc1ccc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC001256208494 1106391214 /nfs/dbraw/zinc/39/12/14/1106391214.db2.gz ARYHWBBIYWSAKD-UHFFFAOYSA-N 2 1 317.477 3.056 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001256404443 1106416195 /nfs/dbraw/zinc/41/61/95/1106416195.db2.gz CQMJVEBJXCSINN-OAHLLOKOSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@H](Cc1ccccn1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001256416830 1106418130 /nfs/dbraw/zinc/41/81/30/1106418130.db2.gz FDTCSIIUEAEJNW-RLLQIKCJSA-N 2 1 321.468 3.076 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001256416830 1106418134 /nfs/dbraw/zinc/41/81/34/1106418134.db2.gz FDTCSIIUEAEJNW-RLLQIKCJSA-N 2 1 321.468 3.076 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001256416830 1106418137 /nfs/dbraw/zinc/41/81/37/1106418137.db2.gz FDTCSIIUEAEJNW-RLLQIKCJSA-N 2 1 321.468 3.076 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523508 1106433583 /nfs/dbraw/zinc/43/35/83/1106433583.db2.gz PGEMKXHPMXWSME-RNIPGJKVSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523508 1106433584 /nfs/dbraw/zinc/43/35/84/1106433584.db2.gz PGEMKXHPMXWSME-RNIPGJKVSA-N 2 1 304.478 3.036 20 0 DGADMP CCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525992 1106434272 /nfs/dbraw/zinc/43/42/72/1106434272.db2.gz HKYGBKNLZMJWRO-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP CCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525992 1106434277 /nfs/dbraw/zinc/43/42/77/1106434277.db2.gz HKYGBKNLZMJWRO-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536608 1106437103 /nfs/dbraw/zinc/43/71/03/1106437103.db2.gz KTYPUTRRBHUYCN-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536608 1106437104 /nfs/dbraw/zinc/43/71/04/1106437104.db2.gz KTYPUTRRBHUYCN-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536608 1106437105 /nfs/dbraw/zinc/43/71/05/1106437105.db2.gz KTYPUTRRBHUYCN-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536608 1106437107 /nfs/dbraw/zinc/43/71/07/1106437107.db2.gz KTYPUTRRBHUYCN-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540707 1106437623 /nfs/dbraw/zinc/43/76/23/1106437623.db2.gz JOHJJZVXGLTSQR-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540707 1106437626 /nfs/dbraw/zinc/43/76/26/1106437626.db2.gz JOHJJZVXGLTSQR-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540707 1106437629 /nfs/dbraw/zinc/43/76/29/1106437629.db2.gz JOHJJZVXGLTSQR-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540707 1106437631 /nfs/dbraw/zinc/43/76/31/1106437631.db2.gz JOHJJZVXGLTSQR-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539442 1106438368 /nfs/dbraw/zinc/43/83/68/1106438368.db2.gz XQJKRTVVDBNUEZ-HKUYNNGSSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256541491 1106439689 /nfs/dbraw/zinc/43/96/89/1106439689.db2.gz MBBQCFAWBWIXLV-VQIMIIECSA-N 2 1 324.472 3.060 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256541491 1106439693 /nfs/dbraw/zinc/43/96/93/1106439693.db2.gz MBBQCFAWBWIXLV-VQIMIIECSA-N 2 1 324.472 3.060 20 0 DGADMP CCC1(O)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552941 1106442264 /nfs/dbraw/zinc/44/22/64/1106442264.db2.gz FTMHSLAAXYJWEY-IEBWSBKVSA-N 2 1 316.489 3.276 20 0 DGADMP CCC1(O)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552941 1106442265 /nfs/dbraw/zinc/44/22/65/1106442265.db2.gz FTMHSLAAXYJWEY-IEBWSBKVSA-N 2 1 316.489 3.276 20 0 DGADMP CCO[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560841 1106444747 /nfs/dbraw/zinc/44/47/47/1106444747.db2.gz TYUNEVKJLWQROJ-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560841 1106444748 /nfs/dbraw/zinc/44/47/48/1106444748.db2.gz TYUNEVKJLWQROJ-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560841 1106444749 /nfs/dbraw/zinc/44/47/49/1106444749.db2.gz TYUNEVKJLWQROJ-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560841 1106444750 /nfs/dbraw/zinc/44/47/50/1106444750.db2.gz TYUNEVKJLWQROJ-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256563912 1106446058 /nfs/dbraw/zinc/44/60/58/1106446058.db2.gz KSEOBDZHEQUYDY-UHFFFAOYSA-N 2 1 309.542 3.492 20 0 DGADMP CC(C)C[N@H+](C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256567321 1106446874 /nfs/dbraw/zinc/44/68/74/1106446874.db2.gz UKIDZBPEFFHGPC-QAQDUYKDSA-N 3 1 309.542 3.477 20 0 DGADMP CC(C)C[N@@H+](C1CCN(C(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256567321 1106446877 /nfs/dbraw/zinc/44/68/77/1106446877.db2.gz UKIDZBPEFFHGPC-QAQDUYKDSA-N 2 1 309.542 3.477 20 0 DGADMP CC(C)C[N@H+](C1CCN(C(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256567321 1106446881 /nfs/dbraw/zinc/44/68/81/1106446881.db2.gz UKIDZBPEFFHGPC-QAQDUYKDSA-N 2 1 309.542 3.477 20 0 DGADMP COc1cncc([C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)c1 ZINC001256568959 1106447680 /nfs/dbraw/zinc/44/76/80/1106447680.db2.gz MGXWFOPVKKTWBK-GOSISDBHSA-N 2 1 317.477 3.394 20 0 DGADMP Cc1cccc(O[C@H]2CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256577255 1106449369 /nfs/dbraw/zinc/44/93/69/1106449369.db2.gz GNBRBUNDZGCTKA-KRWDZBQOSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccc(O[C@H]2CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256577255 1106449372 /nfs/dbraw/zinc/44/93/72/1106449372.db2.gz GNBRBUNDZGCTKA-KRWDZBQOSA-N 2 1 317.477 3.106 20 0 DGADMP CSc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256616167 1106454299 /nfs/dbraw/zinc/45/42/99/1106454299.db2.gz LNHLJULHXPGDSU-GOOCMWNKSA-N 2 1 306.475 3.002 20 0 DGADMP Cc1ccc2c(c1)c1c(n2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]C1 ZINC001256627263 1106456207 /nfs/dbraw/zinc/45/62/07/1106456207.db2.gz BBSYMECBGYHCTQ-XYPWUTKMSA-N 2 1 309.457 3.393 20 0 DGADMP Cc1cccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001256629114 1106457123 /nfs/dbraw/zinc/45/71/23/1106457123.db2.gz YHXVMCOHSLMEHF-JWTNVVGKSA-N 2 1 314.473 3.463 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC001256640528 1106459835 /nfs/dbraw/zinc/45/98/35/1106459835.db2.gz GSINMFWHQXCTEI-SJORKVTESA-N 2 1 316.489 3.405 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC001256640528 1106459837 /nfs/dbraw/zinc/45/98/37/1106459837.db2.gz GSINMFWHQXCTEI-SJORKVTESA-N 2 1 316.489 3.405 20 0 DGADMP C[C@@H]1Cc2ccccc2C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696124 1106470965 /nfs/dbraw/zinc/47/09/65/1106470965.db2.gz VXFRNCLESYBEQI-PBPGXSGUSA-N 2 1 314.473 3.077 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccccc1Br ZINC001256825655 1106491839 /nfs/dbraw/zinc/49/18/39/1106491839.db2.gz BNPRRPRFWKLVSZ-GFCCVEGCSA-N 2 1 322.250 3.175 20 0 DGADMP CC(C)[N@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256852602 1106497587 /nfs/dbraw/zinc/49/75/87/1106497587.db2.gz CKKHEKHQUMBULS-SAABIXHNSA-N 3 1 316.493 3.031 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC1(F)F ZINC001256855129 1106498218 /nfs/dbraw/zinc/49/82/18/1106498218.db2.gz DZHDZGIVMKSIRH-CQSZACIVSA-N 2 1 309.404 3.418 20 0 DGADMP OC12C[C@@H]3C[C@H](C1)CC([NH2+][C@H]1CCC[N@@H+](C4CCCC4)C1)(C3)C2 ZINC001256899941 1106504606 /nfs/dbraw/zinc/50/46/06/1106504606.db2.gz XRVIEDSLKDQOGV-JTMYGCHMSA-N 2 1 318.505 3.067 20 0 DGADMP OC12C[C@@H]3C[C@H](C1)CC([NH2+][C@H]1CCC[N@H+](C4CCCC4)C1)(C3)C2 ZINC001256899941 1106504609 /nfs/dbraw/zinc/50/46/09/1106504609.db2.gz XRVIEDSLKDQOGV-JTMYGCHMSA-N 2 1 318.505 3.067 20 0 DGADMP C[NH+](C)Cc1ccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256899187 1106504631 /nfs/dbraw/zinc/50/46/31/1106504631.db2.gz RWBQWYDKOPBOSJ-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](C)Cc1ccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256899187 1106504634 /nfs/dbraw/zinc/50/46/34/1106504634.db2.gz RWBQWYDKOPBOSJ-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900483 1106505729 /nfs/dbraw/zinc/50/57/29/1106505729.db2.gz NHRCPHAJDUTXCV-QZTJIDSGSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900483 1106505731 /nfs/dbraw/zinc/50/57/31/1106505731.db2.gz NHRCPHAJDUTXCV-QZTJIDSGSA-N 3 1 309.542 3.494 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCC[NH+](C2CCCC2)C1 ZINC001256900125 1106505776 /nfs/dbraw/zinc/50/57/76/1106505776.db2.gz JABAQYRQJPJSJW-ROUUACIJSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900125 1106505781 /nfs/dbraw/zinc/50/57/81/1106505781.db2.gz JABAQYRQJPJSJW-ROUUACIJSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900125 1106505784 /nfs/dbraw/zinc/50/57/84/1106505784.db2.gz JABAQYRQJPJSJW-ROUUACIJSA-N 2 1 307.526 3.248 20 0 DGADMP c1ccc(OCCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256902711 1106507547 /nfs/dbraw/zinc/50/75/47/1106507547.db2.gz VTYSSKPPWOZSSD-QGZVFWFLSA-N 2 1 302.462 3.452 20 0 DGADMP c1ccc(OCCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256902711 1106507553 /nfs/dbraw/zinc/50/75/53/1106507553.db2.gz VTYSSKPPWOZSSD-QGZVFWFLSA-N 2 1 302.462 3.452 20 0 DGADMP Oc1ccc(CC2([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001256907576 1106508273 /nfs/dbraw/zinc/50/82/73/1106508273.db2.gz DVKGRDCZIDMFKF-QGZVFWFLSA-N 2 1 314.473 3.464 20 0 DGADMP Oc1ccc(CC2([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001256907576 1106508276 /nfs/dbraw/zinc/50/82/76/1106508276.db2.gz DVKGRDCZIDMFKF-QGZVFWFLSA-N 2 1 314.473 3.464 20 0 DGADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(C2CCCC2)C1 ZINC001256905380 1106508483 /nfs/dbraw/zinc/50/84/83/1106508483.db2.gz PJURNFLMIYEDDE-BHIYHBOVSA-N 2 1 307.526 3.374 20 0 DGADMP CC(C)(Cc1cccnc1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907840 1106509120 /nfs/dbraw/zinc/50/91/20/1106509120.db2.gz FXQWVVSDIMGAKK-QGZVFWFLSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)(Cc1cccnc1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907840 1106509125 /nfs/dbraw/zinc/50/91/25/1106509125.db2.gz FXQWVVSDIMGAKK-QGZVFWFLSA-N 2 1 301.478 3.399 20 0 DGADMP C([C@@H]1CCCCN1[C@H]1CCC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC001256919631 1106512262 /nfs/dbraw/zinc/51/22/62/1106512262.db2.gz YLEAKFRZMPCAGZ-PMACEKPBSA-N 2 1 319.537 3.344 20 0 DGADMP CC[NH+](CC)C1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256918521 1106512300 /nfs/dbraw/zinc/51/23/00/1106512300.db2.gz PJTOSJYECVSKGK-LJQANCHMSA-N 2 1 307.526 3.200 20 0 DGADMP COC(=O)CC1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256980306 1106520263 /nfs/dbraw/zinc/52/02/63/1106520263.db2.gz UHTNQESHFQRIQN-PQCUMEFNSA-N 2 1 310.482 3.089 20 0 DGADMP C[C@H]1CC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257084821 1106536146 /nfs/dbraw/zinc/53/61/46/1106536146.db2.gz GBALTIBEPJMBEH-OVWQWFNUSA-N 2 1 317.477 3.110 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(Cl)c1O ZINC001257210749 1106551492 /nfs/dbraw/zinc/55/14/92/1106551492.db2.gz YBTGNYVTTCKKAV-UHFFFAOYSA-N 2 1 312.841 3.017 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001257223869 1106554287 /nfs/dbraw/zinc/55/42/87/1106554287.db2.gz GKXUZTGXGZVBEW-INIZCTEOSA-N 2 1 304.478 3.431 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001257223869 1106554289 /nfs/dbraw/zinc/55/42/89/1106554289.db2.gz GKXUZTGXGZVBEW-INIZCTEOSA-N 2 1 304.478 3.431 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257224222 1106554400 /nfs/dbraw/zinc/55/44/00/1106554400.db2.gz SXVBOFILOUWBOF-QGZVFWFLSA-N 2 1 302.462 3.357 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257223140 1106554519 /nfs/dbraw/zinc/55/45/19/1106554519.db2.gz KTPSTTLYKLLSDN-SFHVURJKSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257223140 1106554522 /nfs/dbraw/zinc/55/45/22/1106554522.db2.gz KTPSTTLYKLLSDN-SFHVURJKSA-N 2 1 317.477 3.106 20 0 DGADMP CCC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001257318524 1106565971 /nfs/dbraw/zinc/56/59/71/1106565971.db2.gz CZIVZHXJWVSUDP-MRXNPFEDSA-N 2 1 306.450 3.135 20 0 DGADMP CCC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001257318524 1106565975 /nfs/dbraw/zinc/56/59/75/1106565975.db2.gz CZIVZHXJWVSUDP-MRXNPFEDSA-N 2 1 306.450 3.135 20 0 DGADMP CCC[C@@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001257326932 1106569252 /nfs/dbraw/zinc/56/92/52/1106569252.db2.gz FFOLLWFQJQQJOO-OAHLLOKOSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC(CCC)[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001257338475 1106569677 /nfs/dbraw/zinc/56/96/77/1106569677.db2.gz XNGULJDIFJMLFR-HDICACEKSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC(CCC)[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001257338192 1106569890 /nfs/dbraw/zinc/56/98/90/1106569890.db2.gz UQKZTQYIRSNZQF-UHFFFAOYSA-N 2 1 302.422 3.246 20 0 DGADMP CCCC(CCC)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001257339400 1106571115 /nfs/dbraw/zinc/57/11/15/1106571115.db2.gz PIFOYPGNVDWPST-MRXNPFEDSA-N 2 1 324.509 3.305 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001257391364 1106580608 /nfs/dbraw/zinc/58/06/08/1106580608.db2.gz MUMOAXNHFKPVOC-YESZJQIVSA-N 2 1 312.498 3.207 20 0 DGADMP CC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257436489 1106588183 /nfs/dbraw/zinc/58/81/83/1106588183.db2.gz WINVUFNEAQCTDT-ZTFGCOKTSA-N 2 1 318.461 3.344 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001257444147 1106590395 /nfs/dbraw/zinc/59/03/95/1106590395.db2.gz GVEYDDWLHDGEON-GOSISDBHSA-N 2 1 316.489 3.460 20 0 DGADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](C4CCCCC4)CC3)C2)co1 ZINC001257458432 1106593796 /nfs/dbraw/zinc/59/37/96/1106593796.db2.gz YHAAXWLKPSZPBQ-UHFFFAOYSA-N 2 1 318.461 3.279 20 0 DGADMP c1cc(C[N@H+]2CCOC3(CC[NH+](C4CCCCC4)CC3)C2)co1 ZINC001257458432 1106593798 /nfs/dbraw/zinc/59/37/98/1106593798.db2.gz YHAAXWLKPSZPBQ-UHFFFAOYSA-N 2 1 318.461 3.279 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(Br)cc1 ZINC001257556322 1106604808 /nfs/dbraw/zinc/60/48/08/1106604808.db2.gz YQCPZTSPCBZGIV-CYBMUJFWSA-N 2 1 313.283 3.439 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@@H]4CCCSC4)C3)C2)cc1 ZINC001257675811 1106618604 /nfs/dbraw/zinc/61/86/04/1106618604.db2.gz FRTLEOXBHBGSPV-MOPGFXCFSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@@H]4CCCSC4)C3)C2)cc1 ZINC001257675811 1106618607 /nfs/dbraw/zinc/61/86/07/1106618607.db2.gz FRTLEOXBHBGSPV-MOPGFXCFSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@@H]4CCCSC4)C3)C2)cc1 ZINC001257675811 1106618610 /nfs/dbraw/zinc/61/86/10/1106618610.db2.gz FRTLEOXBHBGSPV-MOPGFXCFSA-N 2 1 316.514 3.480 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC001257954624 1106650732 /nfs/dbraw/zinc/65/07/32/1106650732.db2.gz PCRGLEVQNZFUQI-INIZCTEOSA-N 2 1 320.864 3.250 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257960842 1106652254 /nfs/dbraw/zinc/65/22/54/1106652254.db2.gz ZLZNCYXZVCNQQO-WMLDXEAASA-N 2 1 322.880 3.485 20 0 DGADMP Clc1ccc2c(c1)C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)CO2 ZINC001257967260 1106653159 /nfs/dbraw/zinc/65/31/59/1106653159.db2.gz UHYWZWDEXYXWSW-HNNXBMFYSA-N 2 1 317.820 3.180 20 0 DGADMP CC(C)CN1CCC([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001258003618 1106656125 /nfs/dbraw/zinc/65/61/25/1106656125.db2.gz NRFONKOZTNFGLT-MJGOQNOKSA-N 2 1 309.542 3.240 20 0 DGADMP CC(C)C[NH+]1CCC([NH+]2CCC(Oc3ccncc3)CC2)CC1 ZINC001258013298 1106657960 /nfs/dbraw/zinc/65/79/60/1106657960.db2.gz NQFCWXHRQLXRRW-UHFFFAOYSA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC(N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC001258014988 1106658362 /nfs/dbraw/zinc/65/83/62/1106658362.db2.gz VYTQOMHNOAJZLC-FQEVSTJZSA-N 2 1 315.505 3.096 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001258017617 1106659173 /nfs/dbraw/zinc/65/91/73/1106659173.db2.gz BVTSRTGGEDKLHZ-LJQANCHMSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001258017617 1106659175 /nfs/dbraw/zinc/65/91/75/1106659175.db2.gz BVTSRTGGEDKLHZ-LJQANCHMSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)C1 ZINC001258151974 1106680712 /nfs/dbraw/zinc/68/07/12/1106680712.db2.gz RQUWOHGOVRMHKZ-IRXDYDNUSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)C1 ZINC001258151975 1106680989 /nfs/dbraw/zinc/68/09/89/1106680989.db2.gz RQUWOHGOVRMHKZ-YRWFTTLQSA-N 2 1 316.489 3.433 20 0 DGADMP CSCC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258217589 1106699477 /nfs/dbraw/zinc/69/94/77/1106699477.db2.gz QCYVDUGEJXOKJG-LSDHHAIUSA-N 2 1 314.539 3.140 20 0 DGADMP CC[N@H+](CC=C(C)C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001316903169 1106750051 /nfs/dbraw/zinc/75/00/51/1106750051.db2.gz HBQXNEARJYBNJU-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP C[C@@H](CC1CC1)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001258454113 1106754496 /nfs/dbraw/zinc/75/44/96/1106754496.db2.gz DCPFNEKCXQYQRL-VDGAXYAQSA-N 2 1 319.537 3.103 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1C1CCN(c2ccccc2Cl)CC1 ZINC001258535315 1106805616 /nfs/dbraw/zinc/80/56/16/1106805616.db2.gz FYXLZMSYDJAKQX-UHFFFAOYSA-N 2 1 318.852 3.188 20 0 DGADMP C[C@H](Cc1cccnc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619797 1106857749 /nfs/dbraw/zinc/85/77/49/1106857749.db2.gz XXAWYOQULFMWRZ-NSISKUIASA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258619690 1106859660 /nfs/dbraw/zinc/85/96/60/1106859660.db2.gz VRBKGIHNBSXFOC-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258619690 1106859665 /nfs/dbraw/zinc/85/96/65/1106859665.db2.gz VRBKGIHNBSXFOC-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258629574 1106867824 /nfs/dbraw/zinc/86/78/24/1106867824.db2.gz CTHWEUPLALWFMD-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258629574 1106867839 /nfs/dbraw/zinc/86/78/39/1106867839.db2.gz CTHWEUPLALWFMD-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258629574 1106867851 /nfs/dbraw/zinc/86/78/51/1106867851.db2.gz CTHWEUPLALWFMD-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258682721 1106904206 /nfs/dbraw/zinc/90/42/06/1106904206.db2.gz AMNRITNDEDCGGU-FPMFFAJLSA-N 2 1 313.272 3.418 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258682721 1106904216 /nfs/dbraw/zinc/90/42/16/1106904216.db2.gz AMNRITNDEDCGGU-FPMFFAJLSA-N 2 1 313.272 3.418 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258682721 1106904226 /nfs/dbraw/zinc/90/42/26/1106904226.db2.gz AMNRITNDEDCGGU-FPMFFAJLSA-N 2 1 313.272 3.418 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258682721 1106904235 /nfs/dbraw/zinc/90/42/35/1106904235.db2.gz AMNRITNDEDCGGU-FPMFFAJLSA-N 2 1 313.272 3.418 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258698283 1106912676 /nfs/dbraw/zinc/91/26/76/1106912676.db2.gz PBTSDPZQSTZZIP-HZPDHXFCSA-N 2 1 312.498 3.018 20 0 DGADMP CCC[NH+]1CCC([NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC001258771513 1106968672 /nfs/dbraw/zinc/96/86/72/1106968672.db2.gz GWBUAVOWOPCZAH-UHFFFAOYSA-N 2 1 302.462 3.404 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccccc2OC)CC1 ZINC001258892978 1107040259 /nfs/dbraw/zinc/04/02/59/1107040259.db2.gz VPVNVTSJTVEKFY-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001258898405 1107046674 /nfs/dbraw/zinc/04/66/74/1107046674.db2.gz WRISYTQAEJXXMJ-NVXWUHKLSA-N 2 1 312.498 3.208 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001258907678 1107053876 /nfs/dbraw/zinc/05/38/76/1107053876.db2.gz MJCHXVAUECBKQW-QUCCMNQESA-N 2 1 317.521 3.486 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C2CCCCC2)CC1 ZINC001258908575 1107055509 /nfs/dbraw/zinc/05/55/09/1107055509.db2.gz XQONVFCKCHKUBF-GOSISDBHSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1ccccc1 ZINC001474751080 1107144427 /nfs/dbraw/zinc/14/44/27/1107144427.db2.gz HJZBAINXKGTNIP-HKUYNNGSSA-N 2 1 314.477 3.334 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317425352 1107350629 /nfs/dbraw/zinc/35/06/29/1107350629.db2.gz YMQSFWXWHGURAG-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317425352 1107350642 /nfs/dbraw/zinc/35/06/42/1107350642.db2.gz YMQSFWXWHGURAG-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317425352 1107350649 /nfs/dbraw/zinc/35/06/49/1107350649.db2.gz YMQSFWXWHGURAG-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2ccc(OC)c3F)C1 ZINC001261138657 1107352148 /nfs/dbraw/zinc/35/21/48/1107352148.db2.gz UNJVTFFVRSTAGX-BBRMVZONSA-N 2 1 306.425 3.143 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317430985 1107357786 /nfs/dbraw/zinc/35/77/86/1107357786.db2.gz DAVBNQUYDMMFLN-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001261515709 1107457932 /nfs/dbraw/zinc/45/79/32/1107457932.db2.gz QFNYXCCSDLMZNT-QZCPTFHJSA-N 2 1 318.436 3.031 20 0 DGADMP CC1(C)CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919899 1107463872 /nfs/dbraw/zinc/46/38/72/1107463872.db2.gz CGXNPKAPBNNUIA-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919899 1107463876 /nfs/dbraw/zinc/46/38/76/1107463876.db2.gz CGXNPKAPBNNUIA-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317947905 1107760374 /nfs/dbraw/zinc/76/03/74/1107760374.db2.gz JMPRNWVLRMOKTD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000378886344 1107999913 /nfs/dbraw/zinc/99/99/13/1107999913.db2.gz MREISBWBMQNTIQ-CQSZACIVSA-N 2 1 304.434 3.186 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC000378927359 1108003932 /nfs/dbraw/zinc/00/39/32/1108003932.db2.gz UYUWCCBIQWSBGA-IBGZPJMESA-N 2 1 302.462 3.200 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566807 1108015314 /nfs/dbraw/zinc/01/53/14/1108015314.db2.gz HNGCYZUCMVDDOU-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566807 1108015326 /nfs/dbraw/zinc/01/53/26/1108015326.db2.gz HNGCYZUCMVDDOU-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001323566807 1108015339 /nfs/dbraw/zinc/01/53/39/1108015339.db2.gz HNGCYZUCMVDDOU-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001323566807 1108015352 /nfs/dbraw/zinc/01/53/52/1108015352.db2.gz HNGCYZUCMVDDOU-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC001323673120 1108048025 /nfs/dbraw/zinc/04/80/25/1108048025.db2.gz RWLONNZNCPJXGQ-YLJYHZDGSA-N 2 1 316.489 3.476 20 0 DGADMP C[NH+](C)C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301727 1108095006 /nfs/dbraw/zinc/09/50/06/1108095006.db2.gz FIZRPIXOFAXJBL-SFTDATJTSA-N 2 1 323.484 3.153 20 0 DGADMP C[NH+](C)C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301727 1108095017 /nfs/dbraw/zinc/09/50/17/1108095017.db2.gz FIZRPIXOFAXJBL-SFTDATJTSA-N 2 1 323.484 3.153 20 0 DGADMP Cc1c[nH+]c2ccccc2c1N1CC[NH+](Cc2ccncc2)CC1 ZINC001318873130 1108224735 /nfs/dbraw/zinc/22/47/35/1108224735.db2.gz ROCRLAUIJJSIPD-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489161 1108311144 /nfs/dbraw/zinc/31/11/44/1108311144.db2.gz OKVLQHVXGHXEDF-USXIJHARSA-N 2 1 316.445 3.128 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489161 1108311158 /nfs/dbraw/zinc/31/11/58/1108311158.db2.gz OKVLQHVXGHXEDF-USXIJHARSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489161 1108311171 /nfs/dbraw/zinc/31/11/71/1108311171.db2.gz OKVLQHVXGHXEDF-USXIJHARSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489161 1108311186 /nfs/dbraw/zinc/31/11/86/1108311186.db2.gz OKVLQHVXGHXEDF-USXIJHARSA-N 2 1 316.445 3.128 20 0 DGADMP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001264126759 1108387599 /nfs/dbraw/zinc/38/75/99/1108387599.db2.gz YIHLADRNXABNGM-DKFQHHCZSA-N 2 1 323.525 3.045 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281861 1108400039 /nfs/dbraw/zinc/40/00/39/1108400039.db2.gz DTLNGMGDUFADLM-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281861 1108400049 /nfs/dbraw/zinc/40/00/49/1108400049.db2.gz DTLNGMGDUFADLM-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001319333336 1108418009 /nfs/dbraw/zinc/41/80/09/1108418009.db2.gz FKZGNZLWUULRRZ-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333336 1108418014 /nfs/dbraw/zinc/41/80/14/1108418014.db2.gz FKZGNZLWUULRRZ-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333336 1108418018 /nfs/dbraw/zinc/41/80/18/1108418018.db2.gz FKZGNZLWUULRRZ-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333336 1108418021 /nfs/dbraw/zinc/41/80/21/1108418021.db2.gz FKZGNZLWUULRRZ-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333336 1108418027 /nfs/dbraw/zinc/41/80/27/1108418027.db2.gz FKZGNZLWUULRRZ-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319391558 1108443237 /nfs/dbraw/zinc/44/32/37/1108443237.db2.gz CKAUOMHUTOYZGB-KBRIMQKVSA-N 2 1 321.440 3.005 20 0 DGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001319562112 1108527887 /nfs/dbraw/zinc/52/78/87/1108527887.db2.gz BCTPQILDHCQAGK-AEFFLSMTSA-N 2 1 312.461 3.108 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)n[nH]2)CC1)CC1CC1 ZINC001319730245 1108614358 /nfs/dbraw/zinc/61/43/58/1108614358.db2.gz UIRACTQJQSNMKU-UHFFFAOYSA-N 2 1 304.482 3.052 20 0 DGADMP C[C@H]1CCc2nc(C[NH2+]Cc3ccc(CC[NH3+])cc3)sc2C1 ZINC001325317609 1108620925 /nfs/dbraw/zinc/62/09/25/1108620925.db2.gz ACODKBTVOGYTBN-ZDUSSCGKSA-N 2 1 315.486 3.059 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756777 1108624219 /nfs/dbraw/zinc/62/42/19/1108624219.db2.gz ZOPJLUYRAGYCQG-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756777 1108624223 /nfs/dbraw/zinc/62/42/23/1108624223.db2.gz ZOPJLUYRAGYCQG-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP CCOc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC ZINC001319771643 1108629809 /nfs/dbraw/zinc/62/98/09/1108629809.db2.gz AXVUZJGQLNUPJW-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC ZINC001319771643 1108629817 /nfs/dbraw/zinc/62/98/17/1108629817.db2.gz AXVUZJGQLNUPJW-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC001319771643 1108629824 /nfs/dbraw/zinc/62/98/24/1108629824.db2.gz AXVUZJGQLNUPJW-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1OC ZINC001319771643 1108629830 /nfs/dbraw/zinc/62/98/30/1108629830.db2.gz AXVUZJGQLNUPJW-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001319832921 1108657101 /nfs/dbraw/zinc/65/71/01/1108657101.db2.gz FNIPXUJZENNZBP-GSEOLPGOSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001319832921 1108657107 /nfs/dbraw/zinc/65/71/07/1108657107.db2.gz FNIPXUJZENNZBP-GSEOLPGOSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390715382 1108676924 /nfs/dbraw/zinc/67/69/24/1108676924.db2.gz KKEDADMWCYDPQV-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCSCC4)[C@H]3C2)cc1 ZINC000390819150 1108678517 /nfs/dbraw/zinc/67/85/17/1108678517.db2.gz SLMLNRVHEAYGQT-YTQUADARSA-N 2 1 316.514 3.382 20 0 DGADMP Fc1ccc(CC[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC001319916333 1108693764 /nfs/dbraw/zinc/69/37/64/1108693764.db2.gz BWJCYYBXKCMVGW-UHFFFAOYSA-N 2 1 312.432 3.406 20 0 DGADMP Fc1ccc(CC[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC001319916333 1108693770 /nfs/dbraw/zinc/69/37/70/1108693770.db2.gz BWJCYYBXKCMVGW-UHFFFAOYSA-N 2 1 312.432 3.406 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000393512637 1109028327 /nfs/dbraw/zinc/02/83/27/1109028327.db2.gz JXMKFMBNIYJUCX-ZGUYJTEBSA-N 2 1 308.510 3.434 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000393512637 1109028332 /nfs/dbraw/zinc/02/83/32/1109028332.db2.gz JXMKFMBNIYJUCX-ZGUYJTEBSA-N 2 1 308.510 3.434 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001266240527 1109137288 /nfs/dbraw/zinc/13/72/88/1109137288.db2.gz WVBJBHVVAFMJPZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266240527 1109137289 /nfs/dbraw/zinc/13/72/89/1109137289.db2.gz WVBJBHVVAFMJPZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266240527 1109137290 /nfs/dbraw/zinc/13/72/90/1109137290.db2.gz WVBJBHVVAFMJPZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001306941608 1111253538 /nfs/dbraw/zinc/25/35/38/1111253538.db2.gz ILWMTQPPOAXMCE-XQQFMLRXSA-N 2 1 315.383 3.301 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001306941608 1111253539 /nfs/dbraw/zinc/25/35/39/1111253539.db2.gz ILWMTQPPOAXMCE-XQQFMLRXSA-N 2 1 315.383 3.301 20 0 DGADMP C[N@H+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1(C)C ZINC001307723278 1111332034 /nfs/dbraw/zinc/33/20/34/1111332034.db2.gz AYUHIMPFOXZOFW-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1(C)C ZINC001307723278 1111332038 /nfs/dbraw/zinc/33/20/38/1111332038.db2.gz AYUHIMPFOXZOFW-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1(C)C ZINC001307723278 1111332042 /nfs/dbraw/zinc/33/20/42/1111332042.db2.gz AYUHIMPFOXZOFW-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCCCCCC1 ZINC001307773103 1111337857 /nfs/dbraw/zinc/33/78/57/1111337857.db2.gz KSJCHOQVTDSQEX-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCCCCCC1 ZINC001307773103 1111337861 /nfs/dbraw/zinc/33/78/61/1111337861.db2.gz KSJCHOQVTDSQEX-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC001307977811 1111361546 /nfs/dbraw/zinc/36/15/46/1111361546.db2.gz GLGUODMMPROXFE-XLAORIBOSA-N 2 1 320.427 3.309 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC001307977811 1111361552 /nfs/dbraw/zinc/36/15/52/1111361552.db2.gz GLGUODMMPROXFE-XLAORIBOSA-N 2 1 320.427 3.309 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC001307977811 1111361558 /nfs/dbraw/zinc/36/15/58/1111361558.db2.gz GLGUODMMPROXFE-XLAORIBOSA-N 2 1 320.427 3.309 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC001307977811 1111361562 /nfs/dbraw/zinc/36/15/62/1111361562.db2.gz GLGUODMMPROXFE-XLAORIBOSA-N 2 1 320.427 3.309 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011000 1111365557 /nfs/dbraw/zinc/36/55/57/1111365557.db2.gz IGIXJKCDEZVUOU-AEFFLSMTSA-N 2 1 302.462 3.390 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011000 1111365561 /nfs/dbraw/zinc/36/55/61/1111365561.db2.gz IGIXJKCDEZVUOU-AEFFLSMTSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011000 1111365563 /nfs/dbraw/zinc/36/55/63/1111365563.db2.gz IGIXJKCDEZVUOU-AEFFLSMTSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011000 1111365565 /nfs/dbraw/zinc/36/55/65/1111365565.db2.gz IGIXJKCDEZVUOU-AEFFLSMTSA-N 2 1 302.462 3.390 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C(C)C)c2)c1 ZINC001308254013 1111405175 /nfs/dbraw/zinc/40/51/75/1111405175.db2.gz OYUQPZRBNVEZNF-UHFFFAOYSA-N 2 1 300.450 3.206 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(OC(F)F)cc1C ZINC001308553175 1111443256 /nfs/dbraw/zinc/44/32/56/1111443256.db2.gz IFKRWYHQMKHUSP-CWRNSKLLSA-N 2 1 324.415 3.335 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c(OC(F)F)cc1C ZINC001308553175 1111443257 /nfs/dbraw/zinc/44/32/57/1111443257.db2.gz IFKRWYHQMKHUSP-CWRNSKLLSA-N 2 1 324.415 3.335 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001308598977 1111449302 /nfs/dbraw/zinc/44/93/02/1111449302.db2.gz OGRSYKGDUXYAJR-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001308598977 1111449304 /nfs/dbraw/zinc/44/93/04/1111449304.db2.gz OGRSYKGDUXYAJR-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001308598977 1111449307 /nfs/dbraw/zinc/44/93/07/1111449307.db2.gz OGRSYKGDUXYAJR-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccc(OC)cc2)C1 ZINC001308598977 1111449310 /nfs/dbraw/zinc/44/93/10/1111449310.db2.gz OGRSYKGDUXYAJR-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1CCCC[C@@H]1C ZINC001308739854 1111468327 /nfs/dbraw/zinc/46/83/27/1111468327.db2.gz GOQPDNZTNSOBIH-GBESFXJTSA-N 2 1 309.542 3.161 20 0 DGADMP CC[C@](C)(C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001308942638 1111497220 /nfs/dbraw/zinc/49/72/20/1111497220.db2.gz JPSNZMSCSSZIHO-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316775128 1111762833 /nfs/dbraw/zinc/76/28/33/1111762833.db2.gz XVNRMINCZLAJCF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(O)cc(Cl)c3)C2)CC1 ZINC001621287437 1193826042 /nfs/dbraw/zinc/82/60/42/1193826042.db2.gz BSNLWRSFWWDTII-UHFFFAOYSA-N 2 1 308.853 3.353 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278369199 214123395 /nfs/dbraw/zinc/12/33/95/214123395.db2.gz BYSYWFRYXNZQFJ-RACLHMPKSA-N 2 1 314.473 3.339 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000278512377 214202776 /nfs/dbraw/zinc/20/27/76/214202776.db2.gz WYOBPNREQYUVAK-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000278512377 214202778 /nfs/dbraw/zinc/20/27/78/214202778.db2.gz WYOBPNREQYUVAK-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000278512377 214202779 /nfs/dbraw/zinc/20/27/79/214202779.db2.gz WYOBPNREQYUVAK-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000278512377 214202782 /nfs/dbraw/zinc/20/27/82/214202782.db2.gz WYOBPNREQYUVAK-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH2+]1 ZINC000414683111 230802830 /nfs/dbraw/zinc/80/28/30/230802830.db2.gz SPOANHYHVBKCMP-DLBZAZTESA-N 2 1 301.478 3.107 20 0 DGADMP C[NH+](C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000283195690 282133005 /nfs/dbraw/zinc/13/30/05/282133005.db2.gz KYHJQAACLNISKY-BZSNNMDCSA-N 2 1 321.896 3.159 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000305755573 231041126 /nfs/dbraw/zinc/04/11/26/231041126.db2.gz AMHNLOCXOWISHF-HKUYNNGSSA-N 2 1 320.452 3.030 20 0 DGADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000129286931 432003778 /nfs/dbraw/zinc/00/37/78/432003778.db2.gz YEISNSLTVZUZNW-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000129286931 432003780 /nfs/dbraw/zinc/00/37/80/432003780.db2.gz YEISNSLTVZUZNW-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000129286931 432003783 /nfs/dbraw/zinc/00/37/83/432003783.db2.gz YEISNSLTVZUZNW-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278691100 214328082 /nfs/dbraw/zinc/32/80/82/214328082.db2.gz KLTYSHFONPDNFL-IHBAFOEMSA-N 2 1 300.446 3.287 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000309667408 231103268 /nfs/dbraw/zinc/10/32/68/231103268.db2.gz ACXQVGNBHZDCGX-MSOLQXFVSA-N 2 1 302.462 3.054 20 0 DGADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]Cc3cccnc3)C2)cc1 ZINC000309951696 231107953 /nfs/dbraw/zinc/10/79/53/231107953.db2.gz GMZNVSOKZXEBNU-FQEVSTJZSA-N 2 1 309.457 3.474 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]Cc3cccnc3)C2)cc1 ZINC000309951696 231107955 /nfs/dbraw/zinc/10/79/55/231107955.db2.gz GMZNVSOKZXEBNU-FQEVSTJZSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000323636906 231216770 /nfs/dbraw/zinc/21/67/70/231216770.db2.gz QSMSUCWVTVAATC-QFBILLFUSA-N 2 1 313.445 3.388 20 0 DGADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000323636905 231217101 /nfs/dbraw/zinc/21/71/01/231217101.db2.gz QSMSUCWVTVAATC-LPHOPBHVSA-N 2 1 313.445 3.388 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000320931239 231198483 /nfs/dbraw/zinc/19/84/83/231198483.db2.gz SKFIEWLHONRCCT-LLVKDONJSA-N 2 1 313.323 3.441 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432417836 529425212 /nfs/dbraw/zinc/42/52/12/529425212.db2.gz XKWDUDKXVTYGHN-AZUAARDMSA-N 2 1 318.505 3.407 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432417836 529425213 /nfs/dbraw/zinc/42/52/13/529425213.db2.gz XKWDUDKXVTYGHN-AZUAARDMSA-N 2 1 318.505 3.407 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415064546 529596047 /nfs/dbraw/zinc/59/60/47/529596047.db2.gz KYWWJXAIGJHNRD-KBXCAEBGSA-N 2 1 317.477 3.073 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000294924827 529651284 /nfs/dbraw/zinc/65/12/84/529651284.db2.gz HDJAPYYBWSFMPL-SZMVWBNQSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000295025250 529673665 /nfs/dbraw/zinc/67/36/65/529673665.db2.gz NZQNVEZXXKZWBW-RDGPPVDQSA-N 2 1 316.489 3.321 20 0 DGADMP CCc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000092587269 185327557 /nfs/dbraw/zinc/32/75/57/185327557.db2.gz SMQCSZSJGZIKJO-IYBDPMFKSA-N 2 1 320.477 3.163 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000432406387 529706626 /nfs/dbraw/zinc/70/66/26/529706626.db2.gz HKGBKCVFEIQRNW-LSDHHAIUSA-N 2 1 310.507 3.462 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000432406387 529706627 /nfs/dbraw/zinc/70/66/27/529706627.db2.gz HKGBKCVFEIQRNW-LSDHHAIUSA-N 2 1 310.507 3.462 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426636 529706765 /nfs/dbraw/zinc/70/67/65/529706765.db2.gz SYACRXBDFYFISL-IAGOWNOFSA-N 2 1 304.478 3.401 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000430120213 529811222 /nfs/dbraw/zinc/81/12/22/529811222.db2.gz GVMBOKBPILRLGQ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000430120213 529811223 /nfs/dbraw/zinc/81/12/23/529811223.db2.gz GVMBOKBPILRLGQ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000430120213 529811224 /nfs/dbraw/zinc/81/12/24/529811224.db2.gz GVMBOKBPILRLGQ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP Cc1oncc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000129661735 432008250 /nfs/dbraw/zinc/00/82/50/432008250.db2.gz JTZBNHQTUIXEPT-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000430597471 530001570 /nfs/dbraw/zinc/00/15/70/530001570.db2.gz AJUTWMUICSPFSG-MRXNPFEDSA-N 2 1 304.478 3.294 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000430597471 530001572 /nfs/dbraw/zinc/00/15/72/530001572.db2.gz AJUTWMUICSPFSG-MRXNPFEDSA-N 2 1 304.478 3.294 20 0 DGADMP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000430589221 529993251 /nfs/dbraw/zinc/99/32/51/529993251.db2.gz CYBGLUUNIOKVNA-UHFFFAOYSA-N 2 1 323.440 3.123 20 0 DGADMP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000430589221 529993252 /nfs/dbraw/zinc/99/32/52/529993252.db2.gz CYBGLUUNIOKVNA-UHFFFAOYSA-N 2 1 323.440 3.123 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305615029 530056832 /nfs/dbraw/zinc/05/68/32/530056832.db2.gz CDOAMQHUEQHXBA-BZUAXINKSA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305615029 530056833 /nfs/dbraw/zinc/05/68/33/530056833.db2.gz CDOAMQHUEQHXBA-BZUAXINKSA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305615029 530056834 /nfs/dbraw/zinc/05/68/34/530056834.db2.gz CDOAMQHUEQHXBA-BZUAXINKSA-N 2 1 308.491 3.120 20 0 DGADMP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272741911 210146776 /nfs/dbraw/zinc/14/67/76/210146776.db2.gz INXJPPHWTZIHKE-UHOSZYNNSA-N 2 1 318.505 3.284 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000286961444 219245262 /nfs/dbraw/zinc/24/52/62/219245262.db2.gz HYVONERMRLOLDO-QGZVFWFLSA-N 2 1 310.869 3.228 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000286959203 219245718 /nfs/dbraw/zinc/24/57/18/219245718.db2.gz BYFRNMXZEJLYPW-SWLSCSKDSA-N 2 1 312.404 3.195 20 0 DGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3sccc32)C1 ZINC000331386270 233259723 /nfs/dbraw/zinc/25/97/23/233259723.db2.gz HVCURTWINYQZTH-HIFRSBDPSA-N 2 1 321.490 3.352 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150759309 186064545 /nfs/dbraw/zinc/06/45/45/186064545.db2.gz RZTVXRIFRIJPJA-KRWDZBQOSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150759309 186064546 /nfs/dbraw/zinc/06/45/46/186064546.db2.gz RZTVXRIFRIJPJA-KRWDZBQOSA-N 2 1 302.462 3.392 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000152389356 186068140 /nfs/dbraw/zinc/06/81/40/186068140.db2.gz UUYUERGZWOGEHZ-LSDHHAIUSA-N 2 1 318.461 3.147 20 0 DGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000152406732 186069327 /nfs/dbraw/zinc/06/93/27/186069327.db2.gz VVPMGYLKVRZAQT-QZTJIDSGSA-N 2 1 316.489 3.116 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925491 186142859 /nfs/dbraw/zinc/14/28/59/186142859.db2.gz OMWVKRQBXKCTKY-PXNSSMCTSA-N 3 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000163925491 186142861 /nfs/dbraw/zinc/14/28/61/186142861.db2.gz OMWVKRQBXKCTKY-PXNSSMCTSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000163925491 186142863 /nfs/dbraw/zinc/14/28/63/186142863.db2.gz OMWVKRQBXKCTKY-PXNSSMCTSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925491 186142865 /nfs/dbraw/zinc/14/28/65/186142865.db2.gz OMWVKRQBXKCTKY-PXNSSMCTSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000164362708 186157520 /nfs/dbraw/zinc/15/75/20/186157520.db2.gz XHJTUPCGILOLKN-BZUAXINKSA-N 2 1 321.896 3.381 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000164362708 186157521 /nfs/dbraw/zinc/15/75/21/186157521.db2.gz XHJTUPCGILOLKN-BZUAXINKSA-N 2 1 321.896 3.381 20 0 DGADMP C[N@H+](CC1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268512 198068054 /nfs/dbraw/zinc/06/80/54/198068054.db2.gz TYESPYBNPSDVTN-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](CC1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268512 198068055 /nfs/dbraw/zinc/06/80/55/198068055.db2.gz TYESPYBNPSDVTN-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648870 198131640 /nfs/dbraw/zinc/13/16/40/198131640.db2.gz FZSVAKQODPTWHW-GOSISDBHSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648870 198131642 /nfs/dbraw/zinc/13/16/42/198131642.db2.gz FZSVAKQODPTWHW-GOSISDBHSA-N 2 1 302.462 3.392 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1sc(C)nc1C ZINC000277175842 213346973 /nfs/dbraw/zinc/34/69/73/213346973.db2.gz ZBZYMBXGAONNRL-UHFFFAOYSA-N 2 1 306.479 3.431 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1sc(C)nc1C ZINC000277175842 213346975 /nfs/dbraw/zinc/34/69/75/213346975.db2.gz ZBZYMBXGAONNRL-UHFFFAOYSA-N 2 1 306.479 3.431 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000107371408 432030797 /nfs/dbraw/zinc/03/07/97/432030797.db2.gz DOIWMMBWASIBOH-YJBOKZPZSA-N 2 1 321.896 3.113 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000173427901 198213378 /nfs/dbraw/zinc/21/33/78/198213378.db2.gz MBBYDIXPSGWSHV-KGLIPLIRSA-N 2 1 324.415 3.116 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000277133198 213317095 /nfs/dbraw/zinc/31/70/95/213317095.db2.gz SUTVWQISLGPZAC-UHFFFAOYSA-N 2 1 320.440 3.331 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000277133198 213317098 /nfs/dbraw/zinc/31/70/98/213317098.db2.gz SUTVWQISLGPZAC-UHFFFAOYSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C1 ZINC000067670995 432034389 /nfs/dbraw/zinc/03/43/89/432034389.db2.gz BTINKITTWKVMDP-HZPDHXFCSA-N 2 1 312.461 3.177 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000163582747 432035710 /nfs/dbraw/zinc/03/57/10/432035710.db2.gz FTAZCUUMIOHEPO-ZIFCJYIRSA-N 3 1 309.542 3.063 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000163582747 432035715 /nfs/dbraw/zinc/03/57/15/432035715.db2.gz FTAZCUUMIOHEPO-ZIFCJYIRSA-N 2 1 309.542 3.063 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000236780641 202006845 /nfs/dbraw/zinc/00/68/45/202006845.db2.gz UZCFYUWUTKTMCV-AWEZNQCLSA-N 2 1 306.450 3.229 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272352162 209746376 /nfs/dbraw/zinc/74/63/76/209746376.db2.gz DHVWUQYEWTXECA-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272352162 209746381 /nfs/dbraw/zinc/74/63/81/209746381.db2.gz DHVWUQYEWTXECA-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1nc(-c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cs1 ZINC000164408129 432047468 /nfs/dbraw/zinc/04/74/68/432047468.db2.gz PODWMYUOCADOQH-DGCLKSJQSA-N 2 1 305.447 3.284 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)o2)cs1 ZINC000164408129 432047469 /nfs/dbraw/zinc/04/74/69/432047469.db2.gz PODWMYUOCADOQH-DGCLKSJQSA-N 2 1 305.447 3.284 20 0 DGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132358945 432048261 /nfs/dbraw/zinc/04/82/61/432048261.db2.gz CKZWKQYAUKCFSR-CYBMUJFWSA-N 2 1 301.356 3.019 20 0 DGADMP CCOC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164514179 432049251 /nfs/dbraw/zinc/04/92/51/432049251.db2.gz WMVAHSHEQHXRQP-INIZCTEOSA-N 2 1 316.445 3.426 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000164977728 432052574 /nfs/dbraw/zinc/05/25/74/432052574.db2.gz NWCRESIBDDYXJK-VBQJREDUSA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000164977728 432052576 /nfs/dbraw/zinc/05/25/76/432052576.db2.gz NWCRESIBDDYXJK-VBQJREDUSA-N 2 1 318.490 3.215 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)[C@H](C)C1 ZINC000165237722 432054809 /nfs/dbraw/zinc/05/48/09/432054809.db2.gz RGWYCEGILIFXGL-QUCCMNQESA-N 2 1 318.505 3.346 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165242868 432055035 /nfs/dbraw/zinc/05/50/35/432055035.db2.gz VPLNVJWESGNETC-HBFSDRIKSA-N 2 1 318.505 3.344 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2OCC)C1 ZINC000081516094 192276116 /nfs/dbraw/zinc/27/61/16/192276116.db2.gz JXRSHXAZENPFLY-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2OCC)C1 ZINC000081516094 192276117 /nfs/dbraw/zinc/27/61/17/192276117.db2.gz JXRSHXAZENPFLY-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2OCC)C1 ZINC000081516094 192276120 /nfs/dbraw/zinc/27/61/20/192276120.db2.gz JXRSHXAZENPFLY-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2OCC)C1 ZINC000081516094 192276123 /nfs/dbraw/zinc/27/61/23/192276123.db2.gz JXRSHXAZENPFLY-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000081584834 192297084 /nfs/dbraw/zinc/29/70/84/192297084.db2.gz OXGGMHPOURTCFX-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000081584834 192297087 /nfs/dbraw/zinc/29/70/87/192297087.db2.gz OXGGMHPOURTCFX-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000081584834 192297088 /nfs/dbraw/zinc/29/70/88/192297088.db2.gz OXGGMHPOURTCFX-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000261823169 283195456 /nfs/dbraw/zinc/19/54/56/283195456.db2.gz IOAQWFWMMZCUBN-INIZCTEOSA-N 2 1 317.477 3.034 20 0 DGADMP C[N@@H+](Cc1ccccc1NC(=O)CCC[NH3+])C1CCCCC1 ZINC000237166678 202173228 /nfs/dbraw/zinc/17/32/28/202173228.db2.gz ZZWRPVJLVONNNM-UHFFFAOYSA-N 2 1 303.450 3.129 20 0 DGADMP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000276888168 213156784 /nfs/dbraw/zinc/15/67/84/213156784.db2.gz LTBILNFKUDNSSJ-NEWSRXKRSA-N 2 1 318.505 3.282 20 0 DGADMP Cc1ccc(C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CC2)cc1 ZINC000168361736 432068816 /nfs/dbraw/zinc/06/88/16/432068816.db2.gz HPYQFNHUYDGVPK-LJQANCHMSA-N 2 1 316.489 3.017 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000178697848 198913323 /nfs/dbraw/zinc/91/33/23/198913323.db2.gz ZDOYARIPFKGHDK-CXAGYDPISA-N 2 1 317.408 3.470 20 0 DGADMP Cc1nccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000133878580 432071638 /nfs/dbraw/zinc/07/16/38/432071638.db2.gz NRKCBSGEZHZMOQ-MOPGFXCFSA-N 2 1 322.456 3.276 20 0 DGADMP COc1cccc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000179419341 199031788 /nfs/dbraw/zinc/03/17/88/199031788.db2.gz WLQHPDSLOAWQGL-GOSISDBHSA-N 2 1 302.462 3.359 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180143655 432079217 /nfs/dbraw/zinc/07/92/17/432079217.db2.gz AGSYAWVKIMNDNN-RAFMOHDBSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000180170361 432080189 /nfs/dbraw/zinc/08/01/89/432080189.db2.gz ZPBNZTCPIZZXHC-VNTMZGSJSA-N 2 1 314.473 3.056 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000415062222 237047470 /nfs/dbraw/zinc/04/74/70/237047470.db2.gz DXAXFJNAKMIZKD-MAUKXSAKSA-N 2 1 317.477 3.128 20 0 DGADMP c1ccc2c(c1)C1C[C@H](C[NH2+][C@H]3CC[NH2+]C3)C2c2ccccc21 ZINC000415099253 237076879 /nfs/dbraw/zinc/07/68/79/237076879.db2.gz GNKJXJMODQWHMB-RUKGUGCUSA-N 2 1 304.437 3.235 20 0 DGADMP Cc1cccc(OCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415109562 237083101 /nfs/dbraw/zinc/08/31/01/237083101.db2.gz PSBWYOTYGPZRCV-UYAOXDASSA-N 2 1 310.441 3.457 20 0 DGADMP COCc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086509 237065864 /nfs/dbraw/zinc/06/58/64/237065864.db2.gz JSQYLTDVZWKXQC-VQTJNVASSA-N 2 1 310.441 3.416 20 0 DGADMP COCc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086504 237066192 /nfs/dbraw/zinc/06/61/92/237066192.db2.gz JSQYLTDVZWKXQC-PMACEKPBSA-N 2 1 310.441 3.416 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C[NH3+] ZINC000415136022 237105531 /nfs/dbraw/zinc/10/55/31/237105531.db2.gz WZIISIRWQUAHRB-IUODEOHRSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000186843944 200021332 /nfs/dbraw/zinc/02/13/32/200021332.db2.gz PJLWRQTUHAHRTD-QEJZJMRPSA-N 2 1 300.368 3.405 20 0 DGADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000187767212 200154149 /nfs/dbraw/zinc/15/41/49/200154149.db2.gz NVBAWJKOHMXYAP-INIZCTEOSA-N 2 1 312.461 3.476 20 0 DGADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000187767212 200154150 /nfs/dbraw/zinc/15/41/50/200154150.db2.gz NVBAWJKOHMXYAP-INIZCTEOSA-N 2 1 312.461 3.476 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000237582906 202291440 /nfs/dbraw/zinc/29/14/40/202291440.db2.gz ZFIPAJHJVFUCKG-CQSZACIVSA-N 2 1 313.445 3.331 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000188104896 200193858 /nfs/dbraw/zinc/19/38/58/200193858.db2.gz QWBBFIWYCUIOTA-MRXNPFEDSA-N 2 1 322.468 3.236 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189084283 200345396 /nfs/dbraw/zinc/34/53/96/200345396.db2.gz WQWIAACCPMBWBP-AZUAARDMSA-N 2 1 316.489 3.098 20 0 DGADMP COC[C@@]1(C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CCC[NH2+]1 ZINC000423415437 237848215 /nfs/dbraw/zinc/84/82/15/237848215.db2.gz PBPWOHLECPHHQN-MOPGFXCFSA-N 2 1 302.462 3.194 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)oc21 ZINC000423349710 237843487 /nfs/dbraw/zinc/84/34/87/237843487.db2.gz WETLMEDWYIBJJK-ACJLOTCBSA-N 2 1 302.418 3.482 20 0 DGADMP Cc1nc(C(C)(C)[NH2+]C[C@H](C[NH3+])c2ccc(F)cc2)sc1C ZINC000424304980 237891450 /nfs/dbraw/zinc/89/14/50/237891450.db2.gz RMVWWPQCQFLDCN-AWEZNQCLSA-N 2 1 321.465 3.466 20 0 DGADMP c1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134894393 432089839 /nfs/dbraw/zinc/08/98/39/432089839.db2.gz ZKKVNMBLUKXZCN-YLJYHZDGSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134894393 432089840 /nfs/dbraw/zinc/08/98/40/432089840.db2.gz ZKKVNMBLUKXZCN-YLJYHZDGSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134894393 432089843 /nfs/dbraw/zinc/08/98/43/432089843.db2.gz ZKKVNMBLUKXZCN-YLJYHZDGSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134894393 432089845 /nfs/dbraw/zinc/08/98/45/432089845.db2.gz ZKKVNMBLUKXZCN-YLJYHZDGSA-N 2 1 314.473 3.404 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430965170 238091283 /nfs/dbraw/zinc/09/12/83/238091283.db2.gz HUSRRIZQIBNCNB-KRWDZBQOSA-N 2 1 314.404 3.185 20 0 DGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432406888 238127737 /nfs/dbraw/zinc/12/77/37/238127737.db2.gz JGNUCFSBDACRLP-DLBZAZTESA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432406888 238127738 /nfs/dbraw/zinc/12/77/38/238127738.db2.gz JGNUCFSBDACRLP-DLBZAZTESA-N 2 1 320.477 3.237 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271916073 209321090 /nfs/dbraw/zinc/32/10/90/209321090.db2.gz YTUIMETVQQDNAY-OAHLLOKOSA-N 2 1 310.445 3.093 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271916073 209321094 /nfs/dbraw/zinc/32/10/94/209321094.db2.gz YTUIMETVQQDNAY-OAHLLOKOSA-N 3 1 310.445 3.093 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271916073 209321097 /nfs/dbraw/zinc/32/10/97/209321097.db2.gz YTUIMETVQQDNAY-OAHLLOKOSA-N 3 1 310.445 3.093 20 0 DGADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCSC3)CC2)n2c1CCCC2 ZINC000435049815 238269299 /nfs/dbraw/zinc/26/92/99/238269299.db2.gz SDUDCBAWRASXQQ-AWEZNQCLSA-N 2 1 305.491 3.152 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)s2)o1 ZINC000435440046 238307737 /nfs/dbraw/zinc/30/77/37/238307737.db2.gz YXTKYTMBYSDNDI-CYBMUJFWSA-N 2 1 305.447 3.285 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)s2)o1 ZINC000435440046 238307743 /nfs/dbraw/zinc/30/77/43/238307743.db2.gz YXTKYTMBYSDNDI-CYBMUJFWSA-N 2 1 305.447 3.285 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000271885218 209295216 /nfs/dbraw/zinc/29/52/16/209295216.db2.gz QPVIZBVMODYMMH-NSHDSACASA-N 2 1 314.351 3.340 20 0 DGADMP FC(F)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193347369 201036335 /nfs/dbraw/zinc/03/63/35/201036335.db2.gz MJBOABOUGHWIRS-ALOPSCKCSA-N 2 1 324.415 3.053 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271879866 209289616 /nfs/dbraw/zinc/28/96/16/209289616.db2.gz PEHPZLZUFLJORR-XSWJXKHESA-N 2 1 306.425 3.118 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000442755141 239118652 /nfs/dbraw/zinc/11/86/52/239118652.db2.gz BYHFSWVNBNRFKT-WBVHZDCISA-N 2 1 323.440 3.108 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442792041 239124586 /nfs/dbraw/zinc/12/45/86/239124586.db2.gz NCKOHTXAKYVTNW-SJORKVTESA-N 2 1 323.484 3.489 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442792041 239124591 /nfs/dbraw/zinc/12/45/91/239124591.db2.gz NCKOHTXAKYVTNW-SJORKVTESA-N 2 1 323.484 3.489 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CCCCC1 ZINC000442632056 239104631 /nfs/dbraw/zinc/10/46/31/239104631.db2.gz AEXMLFOIPTXCGW-OAHLLOKOSA-N 2 1 311.473 3.489 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CCCCC1 ZINC000442632055 239104966 /nfs/dbraw/zinc/10/49/66/239104966.db2.gz AEXMLFOIPTXCGW-HNNXBMFYSA-N 2 1 311.473 3.489 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCC2)o1 ZINC000442874780 239142115 /nfs/dbraw/zinc/14/21/15/239142115.db2.gz NUAFEGWAWDPDJJ-SFHVURJKSA-N 2 1 319.493 3.045 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064851 239171328 /nfs/dbraw/zinc/17/13/28/239171328.db2.gz YZOMKZLVNNQXPE-UONOGXRCSA-N 2 1 323.868 3.036 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CCOC[C@@H]1C ZINC000195062359 201333673 /nfs/dbraw/zinc/33/36/73/201333673.db2.gz CXQMGNCRDJIITG-GYFUMUFKSA-N 2 1 316.489 3.158 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195437152 201389597 /nfs/dbraw/zinc/38/95/97/201389597.db2.gz BJDMPVUDPNPCLY-UHFFFAOYSA-N 2 1 323.912 3.156 20 0 DGADMP OCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000444568493 239301611 /nfs/dbraw/zinc/30/16/11/239301611.db2.gz CBBLAAIFDNFYHN-HXUWFJFHSA-N 2 1 316.489 3.234 20 0 DGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275445775 212338750 /nfs/dbraw/zinc/33/87/50/212338750.db2.gz GEQBPSWLPWDDBY-HZPDHXFCSA-N 2 1 319.399 3.302 20 0 DGADMP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275455660 212345041 /nfs/dbraw/zinc/34/50/41/212345041.db2.gz GVJJNKVTJMEOSK-CABCVRRESA-N 2 1 315.486 3.388 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccnn1C1CCCC1)C[NH+]1CCCCC1 ZINC000449093089 240015008 /nfs/dbraw/zinc/01/50/08/240015008.db2.gz VFDJCAXKXDAAOT-INIZCTEOSA-N 2 1 304.482 3.210 20 0 DGADMP Cc1cccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000449103046 240017396 /nfs/dbraw/zinc/01/73/96/240017396.db2.gz OBZWJSCTTFAACB-IYBDPMFKSA-N 2 1 308.441 3.113 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000449080511 240006890 /nfs/dbraw/zinc/00/68/90/240006890.db2.gz WSVYKRLEKSBMEJ-QZTJIDSGSA-N 2 1 308.510 3.434 20 0 DGADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000449087479 240011019 /nfs/dbraw/zinc/01/10/19/240011019.db2.gz VVIZYMYINDRDKW-HOTGVXAUSA-N 2 1 317.477 3.245 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000449216148 240072264 /nfs/dbraw/zinc/07/22/64/240072264.db2.gz QBDDHZXYSXNKOU-VROUVPMXSA-N 2 1 316.489 3.443 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C1CCC1 ZINC000449219472 240073702 /nfs/dbraw/zinc/07/37/02/240073702.db2.gz AQFCMMPMRHEYCF-KRWDZBQOSA-N 2 1 302.466 3.231 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc3ccoc32)CCCO1 ZINC000449282600 240108909 /nfs/dbraw/zinc/10/89/09/240108909.db2.gz IBBGHLBYZBMFAJ-OAHLLOKOSA-N 2 1 302.418 3.023 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293001821 223346241 /nfs/dbraw/zinc/34/62/41/223346241.db2.gz GUNYWMFIKPLNAO-KRWDZBQOSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293001821 223346242 /nfs/dbraw/zinc/34/62/42/223346242.db2.gz GUNYWMFIKPLNAO-KRWDZBQOSA-N 2 1 301.478 3.431 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000449447573 240211757 /nfs/dbraw/zinc/21/17/57/240211757.db2.gz ADGSPOVIDQHZBO-MRXNPFEDSA-N 2 1 306.494 3.284 20 0 DGADMP CC[C@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000449479984 240233915 /nfs/dbraw/zinc/23/39/15/240233915.db2.gz WZBGAMMWDXPROC-LJQANCHMSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449593068 240308958 /nfs/dbraw/zinc/30/89/58/240308958.db2.gz UINXWFUVYKREQJ-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560838 240291215 /nfs/dbraw/zinc/29/12/15/240291215.db2.gz QBKGJNACRDNEIG-MNIJEXPFSA-N 3 1 319.537 3.244 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@@H](O)CC ZINC000449641340 240339318 /nfs/dbraw/zinc/33/93/18/240339318.db2.gz CYDWNWJUFTVOIF-VHSSKADRSA-N 2 1 301.434 3.381 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449727968 240383869 /nfs/dbraw/zinc/38/38/69/240383869.db2.gz SMAGJKYXQQJQAP-WMZOPIPTSA-N 2 1 318.505 3.284 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000171141674 432106827 /nfs/dbraw/zinc/10/68/27/432106827.db2.gz PZSBLTBWMXURHP-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253631 193180692 /nfs/dbraw/zinc/18/06/92/193180692.db2.gz RWVWOLHUOPDARP-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253631 193180694 /nfs/dbraw/zinc/18/06/94/193180694.db2.gz RWVWOLHUOPDARP-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000092253631 193180695 /nfs/dbraw/zinc/18/06/95/193180695.db2.gz RWVWOLHUOPDARP-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092253631 193180697 /nfs/dbraw/zinc/18/06/97/193180697.db2.gz RWVWOLHUOPDARP-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1csc(Cl)c1 ZINC000248697956 296121888 /nfs/dbraw/zinc/12/18/88/296121888.db2.gz LVAVSYXMQSHAGG-OCCSQVGLSA-N 2 1 316.898 3.289 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000275146847 212148839 /nfs/dbraw/zinc/14/88/39/212148839.db2.gz UTSUZFTZVPASKG-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)CC[N@H+]1Cc1ccccc1 ZINC000275146847 212148840 /nfs/dbraw/zinc/14/88/40/212148840.db2.gz UTSUZFTZVPASKG-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1Cl ZINC000459424350 243365510 /nfs/dbraw/zinc/36/55/10/243365510.db2.gz QIHTZUOSWCUWHV-CYBMUJFWSA-N 2 1 308.853 3.324 20 0 DGADMP CC(C)CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551509 244052748 /nfs/dbraw/zinc/05/27/48/244052748.db2.gz DOXYVJVBJQRHLT-AZUAARDMSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551509 244052752 /nfs/dbraw/zinc/05/27/52/244052752.db2.gz DOXYVJVBJQRHLT-AZUAARDMSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000093067132 193199045 /nfs/dbraw/zinc/19/90/45/193199045.db2.gz LAWFKMSNEYWCMQ-OAHLLOKOSA-N 2 1 323.444 3.018 20 0 DGADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1cccc(C)c1 ZINC000469078493 244083249 /nfs/dbraw/zinc/08/32/49/244083249.db2.gz ULQDLAXWJKGPRA-IEBWSBKVSA-N 2 1 303.494 3.141 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1cccc(Br)c1 ZINC000469860685 244130435 /nfs/dbraw/zinc/13/04/35/244130435.db2.gz GPIMJYRVHFAVKA-JHJVBQTASA-N 2 1 311.267 3.222 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000470022366 244141739 /nfs/dbraw/zinc/14/17/39/244141739.db2.gz KRSNYYPEQNFZHU-MRXNPFEDSA-N 2 1 321.484 3.493 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000470022366 244141742 /nfs/dbraw/zinc/14/17/42/244141742.db2.gz KRSNYYPEQNFZHU-MRXNPFEDSA-N 2 1 321.484 3.493 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CC2([NH+](C)C)CCCC2)cc1F ZINC000470105494 244143621 /nfs/dbraw/zinc/14/36/21/244143621.db2.gz PGSWKQUBEDHLLT-OAHLLOKOSA-N 2 1 322.468 3.477 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275099512 212120284 /nfs/dbraw/zinc/12/02/84/212120284.db2.gz CKMMTJMQBHAAQZ-MTFMMBMASA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000093089234 193201571 /nfs/dbraw/zinc/20/15/71/193201571.db2.gz OFIIMGGJIQAKMG-UHFFFAOYSA-N 2 1 316.367 3.359 20 0 DGADMP CC(C)CCOCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471006971 244201754 /nfs/dbraw/zinc/20/17/54/244201754.db2.gz OYKMUUCJNYJDCC-BGYRXZFFSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)CCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471006971 244201756 /nfs/dbraw/zinc/20/17/56/244201756.db2.gz OYKMUUCJNYJDCC-BGYRXZFFSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)CCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471006971 244201759 /nfs/dbraw/zinc/20/17/59/244201759.db2.gz OYKMUUCJNYJDCC-BGYRXZFFSA-N 2 1 316.489 3.113 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCSC)CC1 ZINC000093509510 193261613 /nfs/dbraw/zinc/26/16/13/193261613.db2.gz KHVHXXQXWKSPSG-UHFFFAOYSA-N 2 1 321.534 3.013 20 0 DGADMP COCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683542 193288674 /nfs/dbraw/zinc/28/86/74/193288674.db2.gz LXRZCVMDUBPGDG-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683542 193288676 /nfs/dbraw/zinc/28/86/76/193288676.db2.gz LXRZCVMDUBPGDG-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683388 193288909 /nfs/dbraw/zinc/28/89/09/193288909.db2.gz HARKQMOUOLQHAC-GOSISDBHSA-N 2 1 318.509 3.218 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683388 193288910 /nfs/dbraw/zinc/28/89/10/193288910.db2.gz HARKQMOUOLQHAC-GOSISDBHSA-N 2 1 318.509 3.218 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093693052 193291031 /nfs/dbraw/zinc/29/10/31/193291031.db2.gz ZWOFIUFPKSLCGV-MRXNPFEDSA-N 2 1 312.461 3.240 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093693052 193291033 /nfs/dbraw/zinc/29/10/33/193291033.db2.gz ZWOFIUFPKSLCGV-MRXNPFEDSA-N 2 1 312.461 3.240 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093996588 193336734 /nfs/dbraw/zinc/33/67/34/193336734.db2.gz ZTGHIJIJQWQKKE-JTQLQIEISA-N 2 1 315.230 3.147 20 0 DGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)CC1CC[NH2+]CC1 ZINC000094010678 193338759 /nfs/dbraw/zinc/33/87/59/193338759.db2.gz KMWVXHBUNMFGIR-UHFFFAOYSA-N 2 1 302.340 3.017 20 0 DGADMP Cc1n[nH]cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093844608 193317312 /nfs/dbraw/zinc/31/73/12/193317312.db2.gz MQZKGCYOTKYNBI-HNNXBMFYSA-N 2 1 304.482 3.195 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000094070065 193343456 /nfs/dbraw/zinc/34/34/56/193343456.db2.gz CALLSVVPDIVBST-UHFFFAOYSA-N 2 1 317.260 3.323 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423497834 296153200 /nfs/dbraw/zinc/15/32/00/296153200.db2.gz HKIZQOOULITVRZ-PXAZEXFGSA-N 2 1 315.461 3.084 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000487283210 245044397 /nfs/dbraw/zinc/04/43/97/245044397.db2.gz XZFGJQPGPQPKIK-AEFFLSMTSA-N 2 1 322.518 3.039 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000487283210 245044399 /nfs/dbraw/zinc/04/43/99/245044399.db2.gz XZFGJQPGPQPKIK-AEFFLSMTSA-N 2 1 322.518 3.039 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000487283215 245044977 /nfs/dbraw/zinc/04/49/77/245044977.db2.gz XZFGJQPGPQPKIK-WMZOPIPTSA-N 2 1 322.518 3.039 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000487283215 245044981 /nfs/dbraw/zinc/04/49/81/245044981.db2.gz XZFGJQPGPQPKIK-WMZOPIPTSA-N 2 1 322.518 3.039 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000246354686 432122288 /nfs/dbraw/zinc/12/22/88/432122288.db2.gz IAHJWZHNNCSSAQ-TTZDDIAXSA-N 2 1 310.869 3.426 20 0 DGADMP CCOc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1F ZINC000487559230 245074988 /nfs/dbraw/zinc/07/49/88/245074988.db2.gz MJBJVJSAODELFP-UHFFFAOYSA-N 2 1 308.441 3.436 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318713 245177212 /nfs/dbraw/zinc/17/72/12/245177212.db2.gz XVHIFVAGVFJNSU-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318713 245177215 /nfs/dbraw/zinc/17/72/15/245177215.db2.gz XVHIFVAGVFJNSU-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318713 245177221 /nfs/dbraw/zinc/17/72/21/245177221.db2.gz XVHIFVAGVFJNSU-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318713 245177223 /nfs/dbraw/zinc/17/72/23/245177223.db2.gz XVHIFVAGVFJNSU-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC(C)C1CCC([NH+]2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000125171503 284270843 /nfs/dbraw/zinc/27/08/43/284270843.db2.gz BVUQCMLBRWPYRI-GPJFCIFZSA-N 2 1 321.553 3.303 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125746692 284283178 /nfs/dbraw/zinc/28/31/78/284283178.db2.gz ANWFMKNIENLFAG-HOTGVXAUSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000125746692 284283183 /nfs/dbraw/zinc/28/31/83/284283183.db2.gz ANWFMKNIENLFAG-HOTGVXAUSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246387892 432124943 /nfs/dbraw/zinc/12/49/43/432124943.db2.gz KOMJRMRGGZWUNG-HDMKZQKVSA-N 2 1 304.478 3.291 20 0 DGADMP Fc1ccc2[nH]cc(CCC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000282704930 217188830 /nfs/dbraw/zinc/18/88/30/217188830.db2.gz LBKQDVWWFLOPEF-IRXDYDNUSA-N 2 1 315.436 3.456 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)C[NH+](C)C ZINC000491596952 245530812 /nfs/dbraw/zinc/53/08/12/245530812.db2.gz PNFGYOVTXDSKTA-INIZCTEOSA-N 2 1 312.461 3.137 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268765426 432128459 /nfs/dbraw/zinc/12/84/59/432128459.db2.gz NOYPBGYKIYLBAC-QUCCMNQESA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268765426 432128462 /nfs/dbraw/zinc/12/84/62/432128462.db2.gz NOYPBGYKIYLBAC-QUCCMNQESA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268765426 432128467 /nfs/dbraw/zinc/12/84/67/432128467.db2.gz NOYPBGYKIYLBAC-QUCCMNQESA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128285171 284370140 /nfs/dbraw/zinc/37/01/40/284370140.db2.gz ZFELERYIICGMIH-RTBURBONSA-N 2 1 309.542 3.209 20 0 DGADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCCCC1 ZINC000128460560 284376360 /nfs/dbraw/zinc/37/63/60/284376360.db2.gz TXWNKRKEMDOJSO-IBGZPJMESA-N 2 1 309.542 3.353 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128714375 284384543 /nfs/dbraw/zinc/38/45/43/284384543.db2.gz PEISWXRPFUEFHD-GUDVDZBRSA-N 2 1 309.542 3.064 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cscc2C)[C@@H](C)C1 ZINC000494449602 246149513 /nfs/dbraw/zinc/14/95/13/246149513.db2.gz BWMXOCFGKWISIN-WMLDXEAASA-N 2 1 310.507 3.283 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000268800922 432137227 /nfs/dbraw/zinc/13/72/27/432137227.db2.gz ANWMYAHOMDXHQE-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000268800922 432137231 /nfs/dbraw/zinc/13/72/31/432137231.db2.gz ANWMYAHOMDXHQE-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000268800922 432137234 /nfs/dbraw/zinc/13/72/34/432137234.db2.gz ANWMYAHOMDXHQE-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268802653 432137415 /nfs/dbraw/zinc/13/74/15/432137415.db2.gz JTOGVIFZXGYTRL-DOTOQJQBSA-N 2 1 315.486 3.328 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000137595928 284520591 /nfs/dbraw/zinc/52/05/91/284520591.db2.gz AOYKTKLQXXVASB-UHFFFAOYSA-N 2 1 301.409 3.056 20 0 DGADMP CC[NH+]1CCC(NCc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000268809166 432138054 /nfs/dbraw/zinc/13/80/54/432138054.db2.gz ILUSPTPAUNAJGH-UHFFFAOYSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+]1CCC(NCc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000268809166 432138057 /nfs/dbraw/zinc/13/80/57/432138057.db2.gz ILUSPTPAUNAJGH-UHFFFAOYSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000268809166 432138042 /nfs/dbraw/zinc/13/80/42/432138042.db2.gz ILUSPTPAUNAJGH-UHFFFAOYSA-N 2 1 303.494 3.101 20 0 DGADMP CCN1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000268809166 432138046 /nfs/dbraw/zinc/13/80/46/432138046.db2.gz ILUSPTPAUNAJGH-UHFFFAOYSA-N 2 1 303.494 3.101 20 0 DGADMP CCN1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000268809166 432138049 /nfs/dbraw/zinc/13/80/49/432138049.db2.gz ILUSPTPAUNAJGH-UHFFFAOYSA-N 2 1 303.494 3.101 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000246505379 432138728 /nfs/dbraw/zinc/13/87/28/432138728.db2.gz SUXIYMYMISCGMX-WRFANHODSA-N 2 1 310.869 3.346 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268811093 432138843 /nfs/dbraw/zinc/13/88/43/432138843.db2.gz AXBXOXNASBYIFO-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268811093 432138846 /nfs/dbraw/zinc/13/88/46/432138846.db2.gz AXBXOXNASBYIFO-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000268803237 432139322 /nfs/dbraw/zinc/13/93/22/432139322.db2.gz BPWVHEPDKQSNMA-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000268804005 432139391 /nfs/dbraw/zinc/13/93/91/432139391.db2.gz FFGDRSGTFMHIMU-YLJYHZDGSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000268804005 432139393 /nfs/dbraw/zinc/13/93/93/432139393.db2.gz FFGDRSGTFMHIMU-YLJYHZDGSA-N 2 1 324.468 3.435 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246519824 432140917 /nfs/dbraw/zinc/14/09/17/432140917.db2.gz UPBCDGXMVZLNTN-JTDSTZFVSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267888698 206319509 /nfs/dbraw/zinc/31/95/09/206319509.db2.gz SASAZRDIXLPIKH-QFBILLFUSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000267888698 206319513 /nfs/dbraw/zinc/31/95/13/206319513.db2.gz SASAZRDIXLPIKH-QFBILLFUSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2o1 ZINC000268840138 432144512 /nfs/dbraw/zinc/14/45/12/432144512.db2.gz AJPZNJFVZGIYTE-NVXWUHKLSA-N 2 1 316.445 3.320 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268829352 432144720 /nfs/dbraw/zinc/14/47/20/432144720.db2.gz DUQBLHQTTNQBPR-INIZCTEOSA-N 2 1 303.381 3.224 20 0 DGADMP c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000268883054 432146545 /nfs/dbraw/zinc/14/65/45/432146545.db2.gz BXNQIZBFMMIBMV-MJGOQNOKSA-N 2 1 311.429 3.161 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000268982476 432148620 /nfs/dbraw/zinc/14/86/20/432148620.db2.gz PDUZWNNXFPLENT-YTQUADARSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000268982476 432148625 /nfs/dbraw/zinc/14/86/25/432148625.db2.gz PDUZWNNXFPLENT-YTQUADARSA-N 2 1 304.478 3.300 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000042427707 183269065 /nfs/dbraw/zinc/26/90/65/183269065.db2.gz GZMNNBOZMZUZII-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCCC[C@H]2C)o1 ZINC000042900703 183317304 /nfs/dbraw/zinc/31/73/04/183317304.db2.gz IPTHPAOGZFZDBF-CQSZACIVSA-N 2 1 316.449 3.332 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000042900703 183317306 /nfs/dbraw/zinc/31/73/06/183317306.db2.gz IPTHPAOGZFZDBF-CQSZACIVSA-N 2 1 316.449 3.332 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000105456623 194104196 /nfs/dbraw/zinc/10/41/96/194104196.db2.gz NVYNJPFYAMUKTB-MRXNPFEDSA-N 2 1 300.446 3.172 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000105480281 194105446 /nfs/dbraw/zinc/10/54/46/194105446.db2.gz YOJXANVNKLBTIE-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000105480281 194105449 /nfs/dbraw/zinc/10/54/49/194105449.db2.gz YOJXANVNKLBTIE-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000285140819 218306673 /nfs/dbraw/zinc/30/66/73/218306673.db2.gz LWSOEGLADPBIET-FVPXHTFXSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@@H](C)C1 ZINC000268834618 207000232 /nfs/dbraw/zinc/00/02/32/207000232.db2.gz UCFWORITCMGHFC-DOTOQJQBSA-N 2 1 302.462 3.047 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000268844747 207011022 /nfs/dbraw/zinc/01/10/22/207011022.db2.gz IPZZNKZNQQIYKW-CQSZACIVSA-N 2 1 315.417 3.094 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000268966992 207130175 /nfs/dbraw/zinc/13/01/75/207130175.db2.gz YQYIMOGAJCYNBB-RHSMWYFYSA-N 2 1 310.869 3.228 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000268997532 207152834 /nfs/dbraw/zinc/15/28/34/207152834.db2.gz TVGBBKIVDMILLH-BHIYHBOVSA-N 2 1 304.478 3.158 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269003606 207157870 /nfs/dbraw/zinc/15/78/70/207157870.db2.gz VOMXYYSRPNJWKE-QWFCFKBJSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269003606 207157873 /nfs/dbraw/zinc/15/78/73/207157873.db2.gz VOMXYYSRPNJWKE-QWFCFKBJSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269079635 207225334 /nfs/dbraw/zinc/22/53/34/207225334.db2.gz ZERMYOPJFPNIHQ-DWRORGKVSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269079635 207225337 /nfs/dbraw/zinc/22/53/37/207225337.db2.gz ZERMYOPJFPNIHQ-DWRORGKVSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705593 184248746 /nfs/dbraw/zinc/24/87/46/184248746.db2.gz SALVJCDBVNCUPV-GFCCVEGCSA-N 2 1 300.368 3.458 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705593 184248747 /nfs/dbraw/zinc/24/87/47/184248747.db2.gz SALVJCDBVNCUPV-GFCCVEGCSA-N 2 1 300.368 3.458 20 0 DGADMP CC(C)(O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159302291 197344110 /nfs/dbraw/zinc/34/41/10/197344110.db2.gz RSPXUZBDKYHWAM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159302291 197344112 /nfs/dbraw/zinc/34/41/12/197344112.db2.gz RSPXUZBDKYHWAM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159302291 197344114 /nfs/dbraw/zinc/34/41/14/197344114.db2.gz RSPXUZBDKYHWAM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000248585800 285008047 /nfs/dbraw/zinc/00/80/47/285008047.db2.gz XOEPDEVYTKIVJU-XWTMOSNGSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000248685266 285017809 /nfs/dbraw/zinc/01/78/09/285017809.db2.gz GLDUFYKPAAJKOM-ZBFHGGJFSA-N 2 1 306.498 3.329 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000248685266 285017812 /nfs/dbraw/zinc/01/78/12/285017812.db2.gz GLDUFYKPAAJKOM-ZBFHGGJFSA-N 2 1 306.498 3.329 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248847027 285031554 /nfs/dbraw/zinc/03/15/54/285031554.db2.gz ICRGETMNGFQFKN-LZQZEXGQSA-N 2 1 316.489 3.168 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000249295147 285067385 /nfs/dbraw/zinc/06/73/85/285067385.db2.gz QSAMOSIZIOTMQP-MOPGFXCFSA-N 2 1 309.542 3.303 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000337304723 253082872 /nfs/dbraw/zinc/08/28/72/253082872.db2.gz SJBNRNUYNQKSKU-UHFFFAOYSA-N 2 1 307.526 3.081 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000337369869 253099399 /nfs/dbraw/zinc/09/93/99/253099399.db2.gz OPHFHSUBMRMWMX-SJKOYZFVSA-N 2 1 303.837 3.238 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000337377736 253100699 /nfs/dbraw/zinc/10/06/99/253100699.db2.gz BXGMWJVKTVSBOI-ROUUACIJSA-N 2 1 322.880 3.116 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000337382801 253102244 /nfs/dbraw/zinc/10/22/44/253102244.db2.gz JTVKGWWHGYWXQW-GOSISDBHSA-N 2 1 313.445 3.427 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000337382801 253102246 /nfs/dbraw/zinc/10/22/46/253102246.db2.gz JTVKGWWHGYWXQW-GOSISDBHSA-N 2 1 313.445 3.427 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCOC(C)C ZINC000270323795 208395683 /nfs/dbraw/zinc/39/56/83/208395683.db2.gz KOEBMQGGMCANJM-MRXNPFEDSA-N 2 1 301.434 3.234 20 0 DGADMP c1ccc(C[C@@H]([NH2+]CCC[NH+]2CCCCC2)c2cccnc2)nc1 ZINC000338195156 253240838 /nfs/dbraw/zinc/24/08/38/253240838.db2.gz KYOWFILCWXJOCI-HXUWFJFHSA-N 2 1 324.472 3.226 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442878722 533059776 /nfs/dbraw/zinc/05/97/76/533059776.db2.gz UOFOBMQLMMIJOF-HNNXBMFYSA-N 2 1 321.534 3.085 20 0 DGADMP CC[N@@H+](Cc1cccc2c1OC(C)(C)C2)[C@H]1CCC[NH2+]CC1 ZINC000414719240 285106631 /nfs/dbraw/zinc/10/66/31/285106631.db2.gz UNDHEWARLMWGHW-KRWDZBQOSA-N 2 1 302.462 3.364 20 0 DGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(-c2ccnn2C)c1 ZINC000338455577 253290541 /nfs/dbraw/zinc/29/05/41/253290541.db2.gz PKQLKPXFLKNSNL-UHFFFAOYSA-N 2 1 314.477 3.215 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000338771991 253348853 /nfs/dbraw/zinc/34/88/53/253348853.db2.gz JMRURAYZIBDFBH-MZMPZRCHSA-N 2 1 321.896 3.158 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423182149 285118620 /nfs/dbraw/zinc/11/86/20/285118620.db2.gz PXNNGSCQELHBBP-OAHLLOKOSA-N 2 1 306.450 3.024 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCSCc1ccccc1F ZINC000158778903 197300982 /nfs/dbraw/zinc/30/09/82/197300982.db2.gz QDFRSQZQJBHIKA-JKIFEVAISA-N 2 1 310.482 3.377 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000286512870 219029085 /nfs/dbraw/zinc/02/90/85/219029085.db2.gz QHTAWLPBOLNUSF-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000286512870 219029088 /nfs/dbraw/zinc/02/90/88/219029088.db2.gz QHTAWLPBOLNUSF-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000286512870 219029089 /nfs/dbraw/zinc/02/90/89/219029089.db2.gz QHTAWLPBOLNUSF-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000286512870 219029091 /nfs/dbraw/zinc/02/90/91/219029091.db2.gz QHTAWLPBOLNUSF-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000271151635 208664142 /nfs/dbraw/zinc/66/41/42/208664142.db2.gz BAOSHZMJCQPTLR-CQSZACIVSA-N 2 1 302.393 3.469 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000271151635 208664146 /nfs/dbraw/zinc/66/41/46/208664146.db2.gz BAOSHZMJCQPTLR-CQSZACIVSA-N 2 1 302.393 3.469 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000342759187 254045038 /nfs/dbraw/zinc/04/50/38/254045038.db2.gz PGPLHBHJUZLDSC-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777678 254047856 /nfs/dbraw/zinc/04/78/56/254047856.db2.gz IARKFGDKRSLGGW-ZBFHGGJFSA-N 2 1 304.482 3.079 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000342865266 254067165 /nfs/dbraw/zinc/06/71/65/254067165.db2.gz UDXDMAIGVCPUPG-GVDBMIGSSA-N 2 1 305.466 3.107 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000342865266 254067167 /nfs/dbraw/zinc/06/71/67/254067167.db2.gz UDXDMAIGVCPUPG-GVDBMIGSSA-N 2 1 305.466 3.107 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000342953570 254080642 /nfs/dbraw/zinc/08/06/42/254080642.db2.gz SUFKZIDBYUJUEE-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000342953570 254080643 /nfs/dbraw/zinc/08/06/43/254080643.db2.gz SUFKZIDBYUJUEE-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953570 254080644 /nfs/dbraw/zinc/08/06/44/254080644.db2.gz SUFKZIDBYUJUEE-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953570 254080645 /nfs/dbraw/zinc/08/06/45/254080645.db2.gz SUFKZIDBYUJUEE-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP CCOC(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000343548922 254159352 /nfs/dbraw/zinc/15/93/52/254159352.db2.gz JLTJTDVCOXMCDB-KRWDZBQOSA-N 2 1 324.509 3.306 20 0 DGADMP C[NH+](CCOCC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000343630418 254170373 /nfs/dbraw/zinc/17/03/73/254170373.db2.gz ZIHUVNAMXKPCBU-UHFFFAOYSA-N 2 1 312.457 3.267 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000157376564 197182307 /nfs/dbraw/zinc/18/23/07/197182307.db2.gz SGCRVQJXIGDLRC-SFHVURJKSA-N 2 1 300.446 3.072 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000157376564 197182310 /nfs/dbraw/zinc/18/23/10/197182310.db2.gz SGCRVQJXIGDLRC-SFHVURJKSA-N 2 1 300.446 3.072 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000344134786 254229619 /nfs/dbraw/zinc/22/96/19/254229619.db2.gz ZLRSRNOEBVOCJB-CQSZACIVSA-N 2 1 308.429 3.474 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1(C)C ZINC000344161530 254234035 /nfs/dbraw/zinc/23/40/35/254234035.db2.gz GJLJZAJJLHNPOV-QZTJIDSGSA-N 2 1 304.478 3.432 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000343991388 254209902 /nfs/dbraw/zinc/20/99/02/254209902.db2.gz QDMDSFBKCZKMJE-ULQDDVLXSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000343991388 254209903 /nfs/dbraw/zinc/20/99/03/254209903.db2.gz QDMDSFBKCZKMJE-ULQDDVLXSA-N 2 1 306.498 3.156 20 0 DGADMP COc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623076 254290230 /nfs/dbraw/zinc/29/02/30/254290230.db2.gz HPOBBDMVDJOGQH-RDJZCZTQSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623076 254290232 /nfs/dbraw/zinc/29/02/32/254290232.db2.gz HPOBBDMVDJOGQH-RDJZCZTQSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623076 254290234 /nfs/dbraw/zinc/29/02/34/254290234.db2.gz HPOBBDMVDJOGQH-RDJZCZTQSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623076 254290235 /nfs/dbraw/zinc/29/02/35/254290235.db2.gz HPOBBDMVDJOGQH-RDJZCZTQSA-N 2 1 320.477 3.302 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344768586 254303682 /nfs/dbraw/zinc/30/36/82/254303682.db2.gz TWAKURFUWWZBKV-XLIONFOSSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344768586 254303684 /nfs/dbraw/zinc/30/36/84/254303684.db2.gz TWAKURFUWWZBKV-XLIONFOSSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344775367 254304261 /nfs/dbraw/zinc/30/42/61/254304261.db2.gz WPAPSXCQXBZCHE-IEBWSBKVSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344775367 254304263 /nfs/dbraw/zinc/30/42/63/254304263.db2.gz WPAPSXCQXBZCHE-IEBWSBKVSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344775369 254304463 /nfs/dbraw/zinc/30/44/63/254304463.db2.gz WPAPSXCQXBZCHE-PKOBYXMFSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344775369 254304465 /nfs/dbraw/zinc/30/44/65/254304465.db2.gz WPAPSXCQXBZCHE-PKOBYXMFSA-N 2 1 304.478 3.038 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(O)c1 ZINC000344802822 254307119 /nfs/dbraw/zinc/30/71/19/254307119.db2.gz FNEYEKMLPGUWTD-SJORKVTESA-N 2 1 320.477 3.391 20 0 DGADMP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000345246203 254345035 /nfs/dbraw/zinc/34/50/35/254345035.db2.gz ABCBHFCFBBSHNY-RYRKJORJSA-N 2 1 319.880 3.135 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272367409 285210815 /nfs/dbraw/zinc/21/08/15/285210815.db2.gz ARVQZSUIUZHVQI-IYWMVGAKSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272367424 285210833 /nfs/dbraw/zinc/21/08/33/285210833.db2.gz ARVQZSUIUZHVQI-YSTOQKLRSA-N 2 1 316.489 3.179 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343096205 285273971 /nfs/dbraw/zinc/27/39/71/285273971.db2.gz MEUBOZSOKJSGJZ-FUHWJXTLSA-N 2 1 322.880 3.154 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000248005319 285273982 /nfs/dbraw/zinc/27/39/82/285273982.db2.gz KSXBQANKALVIMM-FUHWJXTLSA-N 2 1 322.880 3.154 20 0 DGADMP O[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000289498002 221020854 /nfs/dbraw/zinc/02/08/54/221020854.db2.gz SMNNGEOAXTXYTN-NRFANRHFSA-N 2 1 324.468 3.364 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000289563931 221070436 /nfs/dbraw/zinc/07/04/36/221070436.db2.gz YWRJMADJGMAPKO-UHFFFAOYSA-N 2 1 316.392 3.070 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000289563931 221070438 /nfs/dbraw/zinc/07/04/38/221070438.db2.gz YWRJMADJGMAPKO-UHFFFAOYSA-N 2 1 316.392 3.070 20 0 DGADMP O[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000341740794 285305353 /nfs/dbraw/zinc/30/53/53/285305353.db2.gz IDUKCVQXEHKLER-ZWKOTPCHSA-N 2 1 322.880 3.228 20 0 DGADMP C[C@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000322556502 285307694 /nfs/dbraw/zinc/30/76/94/285307694.db2.gz IGKCAKVCZCQMHN-ZWKOTPCHSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000322556502 285307698 /nfs/dbraw/zinc/30/76/98/285307698.db2.gz IGKCAKVCZCQMHN-ZWKOTPCHSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000322556498 285307762 /nfs/dbraw/zinc/30/77/62/285307762.db2.gz IGKCAKVCZCQMHN-QZTJIDSGSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000322556498 285307765 /nfs/dbraw/zinc/30/77/65/285307765.db2.gz IGKCAKVCZCQMHN-QZTJIDSGSA-N 2 1 319.537 3.390 20 0 DGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289854800 221271043 /nfs/dbraw/zinc/27/10/43/221271043.db2.gz VCJDWPHVSZDCBC-XYPWUTKMSA-N 2 1 324.415 3.388 20 0 DGADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289854800 221271045 /nfs/dbraw/zinc/27/10/45/221271045.db2.gz VCJDWPHVSZDCBC-XYPWUTKMSA-N 2 1 324.415 3.388 20 0 DGADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289854800 221271047 /nfs/dbraw/zinc/27/10/47/221271047.db2.gz VCJDWPHVSZDCBC-XYPWUTKMSA-N 2 1 324.415 3.388 20 0 DGADMP CC(C)C(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000290021339 221384821 /nfs/dbraw/zinc/38/48/21/221384821.db2.gz SVHOGGCMZYYROP-UHFFFAOYSA-N 2 1 317.477 3.235 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294995263 224365739 /nfs/dbraw/zinc/36/57/39/224365739.db2.gz HVTFYCIZKHVLDZ-IIAWOOMASA-N 2 1 310.532 3.301 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294995263 224365741 /nfs/dbraw/zinc/36/57/41/224365741.db2.gz HVTFYCIZKHVLDZ-IIAWOOMASA-N 2 1 310.532 3.301 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000121046488 195287384 /nfs/dbraw/zinc/28/73/84/195287384.db2.gz SZKUXAPIXPKCJB-OXQOHEQNSA-N 2 1 314.473 3.090 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453321128 285378155 /nfs/dbraw/zinc/37/81/55/285378155.db2.gz NSUBXEBIZJNNAA-ILXVDBEPSA-N 2 1 324.896 3.388 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000124852322 195685943 /nfs/dbraw/zinc/68/59/43/195685943.db2.gz SFMKMETXLSKRCP-YJBOKZPZSA-N 2 1 317.477 3.197 20 0 DGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000276870634 285392743 /nfs/dbraw/zinc/39/27/43/285392743.db2.gz YJOLMVNQRNMKRJ-SFHVURJKSA-N 2 1 300.446 3.234 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1OC(C)C ZINC000442927524 533479048 /nfs/dbraw/zinc/47/90/48/533479048.db2.gz NUIULMGQTJHNSY-OAHLLOKOSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H](O)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309783062 533587790 /nfs/dbraw/zinc/58/77/90/533587790.db2.gz LOLBNWOYYCYPKN-GOSISDBHSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@H](CCO)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000297321101 533621673 /nfs/dbraw/zinc/62/16/73/533621673.db2.gz NIOOYMSUIFSXEG-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539908 533658678 /nfs/dbraw/zinc/65/86/78/533658678.db2.gz KHOMSABNGLMXSJ-HPUSYDDDSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539908 533658686 /nfs/dbraw/zinc/65/86/86/533658686.db2.gz KHOMSABNGLMXSJ-HPUSYDDDSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297716644 132030467 /nfs/dbraw/zinc/03/04/67/132030467.db2.gz RLRXCWJWBCSWKD-UHFFFAOYSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000356861506 285526524 /nfs/dbraw/zinc/52/65/24/285526524.db2.gz ZLXGLEHKGFNMOT-IEBWSBKVSA-N 2 1 316.489 3.098 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315506875 400145321 /nfs/dbraw/zinc/14/53/21/400145321.db2.gz YWIXMGHJCZZZLM-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043635 400148988 /nfs/dbraw/zinc/14/89/88/400148988.db2.gz IUXZJEDWTNLWAW-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043635 400148991 /nfs/dbraw/zinc/14/89/91/400148991.db2.gz IUXZJEDWTNLWAW-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043635 400148995 /nfs/dbraw/zinc/14/89/95/400148995.db2.gz IUXZJEDWTNLWAW-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043635 400148997 /nfs/dbraw/zinc/14/89/97/400148997.db2.gz IUXZJEDWTNLWAW-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CS[C@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092064007 400152202 /nfs/dbraw/zinc/15/22/02/400152202.db2.gz GWGQTMKURVPCMR-SFHVURJKSA-N 2 1 322.518 3.345 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690224 400223498 /nfs/dbraw/zinc/22/34/98/400223498.db2.gz CURTUZOABXDNOX-FPOVZHCZSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690224 400223504 /nfs/dbraw/zinc/22/35/04/400223504.db2.gz CURTUZOABXDNOX-FPOVZHCZSA-N 2 1 324.468 3.065 20 0 DGADMP Fc1ccccc1CSCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067641 400190332 /nfs/dbraw/zinc/19/03/32/400190332.db2.gz BQOIAIICEOMEKR-HOTGVXAUSA-N 2 1 308.466 3.275 20 0 DGADMP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595886590 400287952 /nfs/dbraw/zinc/28/79/52/400287952.db2.gz XBNNSLQNFPUFJK-IRXDYDNUSA-N 2 1 304.503 3.438 20 0 DGADMP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OCC ZINC000069060203 400307551 /nfs/dbraw/zinc/30/75/51/400307551.db2.gz GDLOFTTZUBRTST-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000036888786 400392377 /nfs/dbraw/zinc/39/23/77/400392377.db2.gz FLEUWFRWVAFUHF-UHFFFAOYSA-N 2 1 310.825 3.031 20 0 DGADMP CC(C)Oc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112134771 400370561 /nfs/dbraw/zinc/37/05/61/400370561.db2.gz FTIOFLXWSVXNQN-UHFFFAOYSA-N 2 1 311.429 3.191 20 0 DGADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000597043109 400544759 /nfs/dbraw/zinc/54/47/59/400544759.db2.gz HOWDZDBVSSAHOD-UHFFFAOYSA-N 2 1 324.852 3.092 20 0 DGADMP CCCc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000591708633 400551350 /nfs/dbraw/zinc/55/13/50/400551350.db2.gz HCZQJUSLXHOKBL-UHFFFAOYSA-N 2 1 317.521 3.002 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000133126424 400567725 /nfs/dbraw/zinc/56/77/25/400567725.db2.gz JMVAFAGVVCEKNW-SFHVURJKSA-N 2 1 324.509 3.308 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000591868825 400567799 /nfs/dbraw/zinc/56/77/99/400567799.db2.gz GCQOSVXFPOOHFE-CQSZACIVSA-N 2 1 307.344 3.322 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)cn1 ZINC000591869464 400568227 /nfs/dbraw/zinc/56/82/27/400568227.db2.gz XRWDBUAKAYSSMH-GOSISDBHSA-N 2 1 319.412 3.177 20 0 DGADMP c1cn([C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)cn1 ZINC000591869464 400568230 /nfs/dbraw/zinc/56/82/30/400568230.db2.gz XRWDBUAKAYSSMH-GOSISDBHSA-N 2 1 319.412 3.177 20 0 DGADMP C[N@H+](CCC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110031 400635446 /nfs/dbraw/zinc/63/54/46/400635446.db2.gz PJYHYAGGDZHSEV-OAHLLOKOSA-N 2 1 300.368 3.393 20 0 DGADMP C[N@@H+](CCC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110031 400635449 /nfs/dbraw/zinc/63/54/49/400635449.db2.gz PJYHYAGGDZHSEV-OAHLLOKOSA-N 2 1 300.368 3.393 20 0 DGADMP C[NH+](CCC(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110031 400635453 /nfs/dbraw/zinc/63/54/53/400635453.db2.gz PJYHYAGGDZHSEV-OAHLLOKOSA-N 2 1 300.368 3.393 20 0 DGADMP C[NH+](CCC(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110031 400635456 /nfs/dbraw/zinc/63/54/56/400635456.db2.gz PJYHYAGGDZHSEV-OAHLLOKOSA-N 2 1 300.368 3.393 20 0 DGADMP COC(=O)c1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000603117318 400644434 /nfs/dbraw/zinc/64/44/34/400644434.db2.gz GJYZBTOYZQORSG-UHFFFAOYSA-N 2 1 324.490 3.233 20 0 DGADMP Clc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150861855 400667895 /nfs/dbraw/zinc/66/78/95/400667895.db2.gz UDWOWLJQJNOBHS-OAHLLOKOSA-N 2 1 308.853 3.137 20 0 DGADMP Clc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150861855 400667896 /nfs/dbraw/zinc/66/78/96/400667896.db2.gz UDWOWLJQJNOBHS-OAHLLOKOSA-N 2 1 308.853 3.137 20 0 DGADMP CCCC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000157439621 400717721 /nfs/dbraw/zinc/71/77/21/400717721.db2.gz ADRDBOLTSVFCSV-GDBMZVCRSA-N 2 1 312.498 3.207 20 0 DGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000604389762 400772850 /nfs/dbraw/zinc/77/28/50/400772850.db2.gz UAVLIRQTYNPDND-NRFANRHFSA-N 2 1 323.484 3.052 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000172629445 400835994 /nfs/dbraw/zinc/83/59/94/400835994.db2.gz MKTKQYOOCJSORY-CQSZACIVSA-N 2 1 313.445 3.331 20 0 DGADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000599053162 400940511 /nfs/dbraw/zinc/94/05/11/400940511.db2.gz FOHGJOXQTJEELL-JCYILVPMSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000599053162 400940514 /nfs/dbraw/zinc/94/05/14/400940514.db2.gz FOHGJOXQTJEELL-JCYILVPMSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CC1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000599024135 400930943 /nfs/dbraw/zinc/93/09/43/400930943.db2.gz HNIIUZFRKKGRFA-VJFUWPCTSA-N 2 1 324.509 3.208 20 0 DGADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000599308969 401018805 /nfs/dbraw/zinc/01/88/05/401018805.db2.gz GUFLLRFRKNRGLP-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629652448 401018752 /nfs/dbraw/zinc/01/87/52/401018752.db2.gz ASTKGNOTMMGNDL-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629652448 401018758 /nfs/dbraw/zinc/01/87/58/401018758.db2.gz ASTKGNOTMMGNDL-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000599308969 401018808 /nfs/dbraw/zinc/01/88/08/401018808.db2.gz GUFLLRFRKNRGLP-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629590278 400984651 /nfs/dbraw/zinc/98/46/51/400984651.db2.gz SFZZCPINSCVGRS-ZWOKBUDYSA-N 2 1 316.489 3.401 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1F ZINC000629589050 400984913 /nfs/dbraw/zinc/98/49/13/400984913.db2.gz PPVIJMQZSCILFR-INIZCTEOSA-N 2 1 306.425 3.013 20 0 DGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532160 400964098 /nfs/dbraw/zinc/96/40/98/400964098.db2.gz ONTKEEKEYIYRBD-UONOGXRCSA-N 2 1 308.853 3.257 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629559522 400975942 /nfs/dbraw/zinc/97/59/42/400975942.db2.gz BGXHJMOWMRFBHI-LSDHHAIUSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629559522 400975945 /nfs/dbraw/zinc/97/59/45/400975945.db2.gz BGXHJMOWMRFBHI-LSDHHAIUSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561905 400978048 /nfs/dbraw/zinc/97/80/48/400978048.db2.gz LHKMGTFINFTZSY-LSDHHAIUSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561905 400978052 /nfs/dbraw/zinc/97/80/52/400978052.db2.gz LHKMGTFINFTZSY-LSDHHAIUSA-N 2 1 300.368 3.208 20 0 DGADMP CSc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564540 400980420 /nfs/dbraw/zinc/98/04/20/400980420.db2.gz SNSAPEYPVMHLCI-QWHCGFSZSA-N 2 1 318.408 3.368 20 0 DGADMP CSc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564540 400980425 /nfs/dbraw/zinc/98/04/25/400980425.db2.gz SNSAPEYPVMHLCI-QWHCGFSZSA-N 2 1 318.408 3.368 20 0 DGADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@@H]([NH3+])CO)cc2)cc1 ZINC000629702968 401048668 /nfs/dbraw/zinc/04/86/68/401048668.db2.gz YEQWKGBMWLSMOI-YWZLYKJASA-N 2 1 310.441 3.330 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580582 401080807 /nfs/dbraw/zinc/08/08/07/401080807.db2.gz FYKSOFWPYZFSIO-HZPDHXFCSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580582 401080818 /nfs/dbraw/zinc/08/08/18/401080818.db2.gz FYKSOFWPYZFSIO-HZPDHXFCSA-N 2 1 312.498 3.018 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000081200582 401038791 /nfs/dbraw/zinc/03/87/91/401038791.db2.gz QTJZOQGGKPFXPA-UHFFFAOYSA-N 2 1 322.250 3.442 20 0 DGADMP CC(C)CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227319 286004034 /nfs/dbraw/zinc/00/40/34/286004034.db2.gz DPRHKGBSIIHOBO-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227319 286004035 /nfs/dbraw/zinc/00/40/35/286004035.db2.gz DPRHKGBSIIHOBO-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255549 286012386 /nfs/dbraw/zinc/01/23/86/286012386.db2.gz REOQAMCDVZVCHW-AEFFLSMTSA-N 2 1 324.896 3.474 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255549 286012388 /nfs/dbraw/zinc/01/23/88/286012388.db2.gz REOQAMCDVZVCHW-AEFFLSMTSA-N 2 1 324.896 3.474 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000600119961 401184973 /nfs/dbraw/zinc/18/49/73/401184973.db2.gz GQXWNKLEQCAWSP-AABGKKOBSA-N 2 1 321.553 3.303 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)n[nH]1 ZINC000090532710 401268241 /nfs/dbraw/zinc/26/82/41/401268241.db2.gz NLFQVDIJNSFLRX-AWEZNQCLSA-N 2 1 304.482 3.036 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC000090585502 401269098 /nfs/dbraw/zinc/26/90/98/401269098.db2.gz HOKBWCLYJOEMRV-PBHICJAKSA-N 2 1 304.482 3.112 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)n1 ZINC000090585502 401269103 /nfs/dbraw/zinc/26/91/03/401269103.db2.gz HOKBWCLYJOEMRV-PBHICJAKSA-N 2 1 304.482 3.112 20 0 DGADMP Cc1nccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000621719174 401283901 /nfs/dbraw/zinc/28/39/01/401283901.db2.gz DQEJZISSTDNSLA-MRXNPFEDSA-N 2 1 316.493 3.262 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nccnc2C)CC1)CC1CC1 ZINC000621720270 401284386 /nfs/dbraw/zinc/28/43/86/401284386.db2.gz RKHHSUWMIBRJNA-UHFFFAOYSA-N 2 1 316.493 3.119 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000622043583 401338280 /nfs/dbraw/zinc/33/82/80/401338280.db2.gz DVRQWDVTTPIKQY-RYQLBKOJSA-N 2 1 306.425 3.235 20 0 DGADMP CC[N@@H+](CCc1c(C)noc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063209 401292476 /nfs/dbraw/zinc/29/24/76/401292476.db2.gz VTFRJSKUONJRFO-UHFFFAOYSA-N 2 1 315.461 3.418 20 0 DGADMP CCn1cc(CC[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000626062982 401292529 /nfs/dbraw/zinc/29/25/29/401292529.db2.gz NPDQIUQKWVKWLO-UHFFFAOYSA-N 2 1 314.477 3.029 20 0 DGADMP CC[N@@H+](CCO[C@H]1CCCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063315 401292748 /nfs/dbraw/zinc/29/27/48/401292748.db2.gz ZGRSBJRHBFKFGX-IBGZPJMESA-N 2 1 320.477 3.113 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000631041595 401375894 /nfs/dbraw/zinc/37/58/94/401375894.db2.gz HABLUZWPUKOVAD-UHFFFAOYSA-N 2 1 317.477 3.389 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000631041595 401375897 /nfs/dbraw/zinc/37/58/97/401375897.db2.gz HABLUZWPUKOVAD-UHFFFAOYSA-N 2 1 317.477 3.389 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1cccs1 ZINC000631080135 401386993 /nfs/dbraw/zinc/38/69/93/401386993.db2.gz OBQQBILZBNUKGI-YOEHRIQHSA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1cccs1 ZINC000631080135 401386997 /nfs/dbraw/zinc/38/69/97/401386997.db2.gz OBQQBILZBNUKGI-YOEHRIQHSA-N 2 1 317.458 3.021 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3nccnc3c2)c1 ZINC000634959021 401388873 /nfs/dbraw/zinc/38/88/73/401388873.db2.gz FXMOFVHLJRXGQY-UHFFFAOYSA-N 2 1 320.440 3.371 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2nccnc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634975122 401392747 /nfs/dbraw/zinc/39/27/47/401392747.db2.gz RLDBAUOICDXDIP-WBVHZDCISA-N 2 1 324.472 3.372 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000631187430 401420028 /nfs/dbraw/zinc/42/00/28/401420028.db2.gz GJEAWMULPXGEBB-NONVJHHQSA-N 2 1 322.399 3.011 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196021 401423550 /nfs/dbraw/zinc/42/35/50/401423550.db2.gz MXXXUXZDLTXCFU-JXFKEZNVSA-N 2 1 309.457 3.248 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623361389 401500561 /nfs/dbraw/zinc/50/05/61/401500561.db2.gz ZRJIHNKUUQZFKZ-VXGBXAGGSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623361389 401500564 /nfs/dbraw/zinc/50/05/64/401500564.db2.gz ZRJIHNKUUQZFKZ-VXGBXAGGSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623361388 401500953 /nfs/dbraw/zinc/50/09/53/401500953.db2.gz ZRJIHNKUUQZFKZ-RYUDHWBXSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623361388 401500955 /nfs/dbraw/zinc/50/09/55/401500955.db2.gz ZRJIHNKUUQZFKZ-RYUDHWBXSA-N 2 1 304.381 3.483 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631671063 401531892 /nfs/dbraw/zinc/53/18/92/401531892.db2.gz XMTIPPYLNSLONP-NZSAHSFTSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000623657325 401563309 /nfs/dbraw/zinc/56/33/09/401563309.db2.gz NMRRJMMOQUNVNF-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000623657325 401563310 /nfs/dbraw/zinc/56/33/10/401563310.db2.gz NMRRJMMOQUNVNF-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000628281130 401567075 /nfs/dbraw/zinc/56/70/75/401567075.db2.gz BZTNJJUPTCDWBF-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000628281130 401567076 /nfs/dbraw/zinc/56/70/76/401567076.db2.gz BZTNJJUPTCDWBF-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Cl ZINC000628281130 401567077 /nfs/dbraw/zinc/56/70/77/401567077.db2.gz BZTNJJUPTCDWBF-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1Cl ZINC000628281130 401567078 /nfs/dbraw/zinc/56/70/78/401567078.db2.gz BZTNJJUPTCDWBF-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623529401 401540353 /nfs/dbraw/zinc/54/03/53/401540353.db2.gz GNSSCBLDGGEWDG-JKSUJKDBSA-N 2 1 319.468 3.114 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631755093 401550178 /nfs/dbraw/zinc/55/01/78/401550178.db2.gz YEFMVPFBUHYVAT-LCGIIJARSA-N 2 1 312.379 3.437 20 0 DGADMP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1Cl ZINC000628243680 401558973 /nfs/dbraw/zinc/55/89/73/401558973.db2.gz CMHBDFDRLDQQLH-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1Cl ZINC000628243680 401558976 /nfs/dbraw/zinc/55/89/76/401558976.db2.gz CMHBDFDRLDQQLH-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624110285 401627055 /nfs/dbraw/zinc/62/70/55/401627055.db2.gz UUFFPHTVUUHNKV-YSIASYRMSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121755 401628962 /nfs/dbraw/zinc/62/89/62/401628962.db2.gz CLSKYLPJOVFWIF-CVEARBPZSA-N 2 1 314.477 3.206 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C2CC2)c1 ZINC000624121693 401629003 /nfs/dbraw/zinc/62/90/03/401629003.db2.gz BELBGZWESIYWQJ-FXAWDEMLSA-N 2 1 316.489 3.338 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123398 401629702 /nfs/dbraw/zinc/62/97/02/401629702.db2.gz LCZWQSZTGMDNMB-CZUORRHYSA-N 2 1 306.425 3.143 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)o1 ZINC000358515553 286082039 /nfs/dbraw/zinc/08/20/39/286082039.db2.gz YZYMRPPWQPMCJI-UHFFFAOYSA-N 2 1 317.458 3.287 20 0 DGADMP Fc1cccc(-c2cnc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)o2)c1 ZINC000358519045 286082895 /nfs/dbraw/zinc/08/28/95/286082895.db2.gz SHJYMEXHIXISEO-UHFFFAOYSA-N 2 1 315.392 3.056 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000358576592 286097570 /nfs/dbraw/zinc/09/75/70/286097570.db2.gz ULUPFGWKIUYZFJ-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670783 286120310 /nfs/dbraw/zinc/12/03/10/286120310.db2.gz WZKAEFZIQITKGE-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670783 286120313 /nfs/dbraw/zinc/12/03/13/286120313.db2.gz WZKAEFZIQITKGE-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358715220 286131268 /nfs/dbraw/zinc/13/12/68/286131268.db2.gz NKZDSXWRZXYCCD-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358715220 286131269 /nfs/dbraw/zinc/13/12/69/286131269.db2.gz NKZDSXWRZXYCCD-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358715978 286131682 /nfs/dbraw/zinc/13/16/82/286131682.db2.gz FACCCVOJLNZJQX-AWEZNQCLSA-N 2 1 304.482 3.176 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358717046 286132039 /nfs/dbraw/zinc/13/20/39/286132039.db2.gz PQECUGMDNUNSCF-YTQUADARSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358717046 286132041 /nfs/dbraw/zinc/13/20/41/286132041.db2.gz PQECUGMDNUNSCF-YTQUADARSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000358726285 286133904 /nfs/dbraw/zinc/13/39/04/286133904.db2.gz QARGGLCKLPNSIU-MDNKFWRPSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000358726285 286133907 /nfs/dbraw/zinc/13/39/07/286133907.db2.gz QARGGLCKLPNSIU-MDNKFWRPSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720731 286132965 /nfs/dbraw/zinc/13/29/65/286132965.db2.gz VQGQZPAJXXFPLC-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358720731 286132969 /nfs/dbraw/zinc/13/29/69/286132969.db2.gz VQGQZPAJXXFPLC-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358992797 286208837 /nfs/dbraw/zinc/20/88/37/286208837.db2.gz RBTWXOKYCKDMKK-RLFYNMQTSA-N 2 1 316.493 3.040 20 0 DGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000359089625 286234320 /nfs/dbraw/zinc/23/43/20/286234320.db2.gz YSLDZQQTXICQIB-MSOLQXFVSA-N 2 1 306.494 3.213 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000359113339 286240042 /nfs/dbraw/zinc/24/00/42/286240042.db2.gz IZMYUJFPCRAUNA-SFHVURJKSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000359113338 286240132 /nfs/dbraw/zinc/24/01/32/286240132.db2.gz IZMYUJFPCRAUNA-GOSISDBHSA-N 2 1 316.493 3.184 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359117269 286241057 /nfs/dbraw/zinc/24/10/57/286241057.db2.gz SHBDEQFVVBZTPE-AFYVEPGGSA-N 2 1 319.537 3.246 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000359214602 286262505 /nfs/dbraw/zinc/26/25/05/286262505.db2.gz JPRSRPHQAQLYFI-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP Clc1ccccc1[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359199765 286259958 /nfs/dbraw/zinc/25/99/58/286259958.db2.gz FHZWQCNMOPNIMR-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359199765 286259959 /nfs/dbraw/zinc/25/99/59/286259959.db2.gz FHZWQCNMOPNIMR-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000359597245 286344064 /nfs/dbraw/zinc/34/40/64/286344064.db2.gz KFEGCTONZXNFSS-HNNXBMFYSA-N 2 1 307.457 3.418 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000359627861 286350133 /nfs/dbraw/zinc/35/01/33/286350133.db2.gz CNFVAANSWBWRHU-INIZCTEOSA-N 2 1 306.450 3.229 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000420295954 286356936 /nfs/dbraw/zinc/35/69/36/286356936.db2.gz BGAWSQJEJNRGQQ-PXNSSMCTSA-N 2 1 310.441 3.357 20 0 DGADMP CCOc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1OC ZINC000360168637 286435064 /nfs/dbraw/zinc/43/50/64/286435064.db2.gz NTNCYCJXRZWLCF-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361184520 286618831 /nfs/dbraw/zinc/61/88/31/286618831.db2.gz RQJQOHVFLLJVNQ-APWZRJJASA-N 2 1 314.473 3.155 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364312621 287011148 /nfs/dbraw/zinc/01/11/48/287011148.db2.gz CDXPHUXLITXUCT-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCCC1)CCCO2 ZINC000178409305 164836819 /nfs/dbraw/zinc/83/68/19/164836819.db2.gz ODXWGTQBCVJVDF-GOSISDBHSA-N 2 1 318.461 3.375 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000364946934 287078292 /nfs/dbraw/zinc/07/82/92/287078292.db2.gz HFKZRZPQELGCOA-LULLPPNCSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000364946934 287078295 /nfs/dbraw/zinc/07/82/95/287078295.db2.gz HFKZRZPQELGCOA-LULLPPNCSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000190700635 165213271 /nfs/dbraw/zinc/21/32/71/165213271.db2.gz KFHMCGXCARRTBE-UHFFFAOYSA-N 2 1 318.509 3.138 20 0 DGADMP Cc1ccc(OCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192686726 165302935 /nfs/dbraw/zinc/30/29/35/165302935.db2.gz WUCVANUGVDTPNB-AYHJJNSGSA-N 2 1 302.462 3.369 20 0 DGADMP COC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927333 165309649 /nfs/dbraw/zinc/30/96/49/165309649.db2.gz OMIUISKYFSQEMO-LMDPOFIKSA-N 2 1 302.462 3.056 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192920252 165311187 /nfs/dbraw/zinc/31/11/87/165311187.db2.gz CGOAKRXROAVLDN-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000193011794 165314585 /nfs/dbraw/zinc/31/45/85/165314585.db2.gz KVHWBRGPEVWSEJ-HMQMGEFJSA-N 2 1 308.853 3.242 20 0 DGADMP CC[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000193269716 165322773 /nfs/dbraw/zinc/32/27/73/165322773.db2.gz VOIQGQXDINHMKJ-GOSISDBHSA-N 2 1 302.462 3.018 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000193469628 165326727 /nfs/dbraw/zinc/32/67/27/165326727.db2.gz UPEJIZZKUHAQGQ-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129439326 196048102 /nfs/dbraw/zinc/04/81/02/196048102.db2.gz VQSNNYRNVNHXKB-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129439326 196048104 /nfs/dbraw/zinc/04/81/04/196048104.db2.gz VQSNNYRNVNHXKB-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000246832051 432170542 /nfs/dbraw/zinc/17/05/42/432170542.db2.gz BSEIFNOPBMBTHN-JZXOWHBKSA-N 2 1 318.509 3.145 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000171764755 432170625 /nfs/dbraw/zinc/17/06/25/432170625.db2.gz KFGYQEOOIOPPFX-GFCCVEGCSA-N 2 1 309.360 3.219 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246851360 432172752 /nfs/dbraw/zinc/17/27/52/432172752.db2.gz COHNVWMSDWRTBT-ZIFCJYIRSA-N 2 1 304.478 3.472 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000182262620 432173390 /nfs/dbraw/zinc/17/33/90/432173390.db2.gz GOQROCGQOQONPB-KDOFPFPSSA-N 2 1 316.470 3.166 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@@H+]1C ZINC000246947631 432183378 /nfs/dbraw/zinc/18/33/78/432183378.db2.gz SISQIRRKMKXMEO-UKBAYJJMSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@H+]1C ZINC000246947631 432183381 /nfs/dbraw/zinc/18/33/81/432183381.db2.gz SISQIRRKMKXMEO-UKBAYJJMSA-N 2 1 302.462 3.227 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000246955497 432184069 /nfs/dbraw/zinc/18/40/69/432184069.db2.gz IIFAJYPSWUFDJJ-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000246955497 432184073 /nfs/dbraw/zinc/18/40/73/432184073.db2.gz IIFAJYPSWUFDJJ-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@@H](C)C1 ZINC000246959954 432184195 /nfs/dbraw/zinc/18/41/95/432184195.db2.gz HUTMRYPJDYXSOM-WMLDXEAASA-N 2 1 313.445 3.063 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000246955465 432184374 /nfs/dbraw/zinc/18/43/74/432184374.db2.gz IIFAJYPSWUFDJJ-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000246955465 432184376 /nfs/dbraw/zinc/18/43/76/432184376.db2.gz IIFAJYPSWUFDJJ-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000246972455 432186386 /nfs/dbraw/zinc/18/63/86/432186386.db2.gz INFQBLMJCTWPNE-KLZNWCGWSA-N 2 1 308.441 3.301 20 0 DGADMP c1ccc(COCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000182406270 432186755 /nfs/dbraw/zinc/18/67/55/432186755.db2.gz XALVLQUSNUAEGR-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000247061217 432198765 /nfs/dbraw/zinc/19/87/65/432198765.db2.gz NUYCUIVVNFJEID-WMZOPIPTSA-N 2 1 302.462 3.449 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247067561 432198979 /nfs/dbraw/zinc/19/89/79/432198979.db2.gz ODBSXLFJRLKMOB-QAPCUYQASA-N 2 1 304.503 3.339 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1 ZINC000130978875 196128807 /nfs/dbraw/zinc/12/88/07/196128807.db2.gz BTOQZVJZURGAQM-LSDHHAIUSA-N 2 1 312.461 3.314 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000247164766 432206877 /nfs/dbraw/zinc/20/68/77/432206877.db2.gz XZPYGXOTGQNZFW-OWCLPIDISA-N 2 1 308.441 3.366 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)(C)C ZINC000247183329 432209979 /nfs/dbraw/zinc/20/99/79/432209979.db2.gz VHLHDVGAHYAHQG-HZPDHXFCSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)(C)C ZINC000247183329 432209984 /nfs/dbraw/zinc/20/99/84/432209984.db2.gz VHLHDVGAHYAHQG-HZPDHXFCSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000247234654 432212358 /nfs/dbraw/zinc/21/23/58/432212358.db2.gz YNXUGSSYFHTOTI-YJBOKZPZSA-N 2 1 308.441 3.305 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000247236405 432215289 /nfs/dbraw/zinc/21/52/89/432215289.db2.gz YPLNOMGWUHUTRG-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000247108524 432204015 /nfs/dbraw/zinc/20/40/15/432204015.db2.gz SUTFCEIECJOIKY-IHPCNDPISA-N 2 1 315.505 3.204 20 0 DGADMP c1cn(-c2ccc(CN3CCC[N@H+](C4CCCC4)CC3)cc2)cn1 ZINC000172583747 432221357 /nfs/dbraw/zinc/22/13/57/432221357.db2.gz DHRWIMPGFYDZKC-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000182751802 432224161 /nfs/dbraw/zinc/22/41/61/432224161.db2.gz QVOZMCNVZWHCDS-AWEZNQCLSA-N 2 1 308.470 3.273 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000132142984 196229889 /nfs/dbraw/zinc/22/98/89/196229889.db2.gz MTLTUUJTOQVWMN-OAHLLOKOSA-N 2 1 317.477 3.052 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000134008716 196353261 /nfs/dbraw/zinc/35/32/61/196353261.db2.gz ZNILKXQKLYNDBH-NZSAHSFTSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000414917882 287288811 /nfs/dbraw/zinc/28/88/11/287288811.db2.gz SHSWGBVDCSOSTM-NZSAHSFTSA-N 3 1 307.526 3.009 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000291281319 222282403 /nfs/dbraw/zinc/28/24/03/222282403.db2.gz RFGNNHBKZWCXLU-NSISKUIASA-N 2 1 316.489 3.302 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1C(C)(C)C ZINC000191349646 263752841 /nfs/dbraw/zinc/75/28/41/263752841.db2.gz ZCGVDZZTUYSQGA-CQSZACIVSA-N 2 1 306.498 3.470 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000346647259 264072785 /nfs/dbraw/zinc/07/27/85/264072785.db2.gz FWTRINHCHYYEKQ-INIZCTEOSA-N 2 1 304.413 3.021 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000346647752 264072828 /nfs/dbraw/zinc/07/28/28/264072828.db2.gz BFMDEBFCOGRQBC-MRXNPFEDSA-N 2 1 308.466 3.289 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000346651917 264073748 /nfs/dbraw/zinc/07/37/48/264073748.db2.gz DDIPAFQWPAKENL-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346684911 264079232 /nfs/dbraw/zinc/07/92/32/264079232.db2.gz SAGRBAFROYCVDE-GXTWGEPZSA-N 2 1 318.852 3.003 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000346687872 264079484 /nfs/dbraw/zinc/07/94/84/264079484.db2.gz WZORUGINRMVLSU-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000346687872 264079483 /nfs/dbraw/zinc/07/94/83/264079483.db2.gz WZORUGINRMVLSU-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346692787 264080415 /nfs/dbraw/zinc/08/04/15/264080415.db2.gz IWPYPKRWQMZNIE-HZPDHXFCSA-N 2 1 312.461 3.165 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]21 ZINC000346828782 264104842 /nfs/dbraw/zinc/10/48/42/264104842.db2.gz IRVNEXZYRHUWRW-HRCADAONSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]21 ZINC000346828782 264104843 /nfs/dbraw/zinc/10/48/43/264104843.db2.gz IRVNEXZYRHUWRW-HRCADAONSA-N 2 1 313.470 3.369 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346837292 264106666 /nfs/dbraw/zinc/10/66/66/264106666.db2.gz PXPOGWHSHMBFJG-BBWFWOEESA-N 2 1 318.461 3.043 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346848983 264107975 /nfs/dbraw/zinc/10/79/75/264107975.db2.gz GBDKZJVVLUAJJM-PWIZWCRZSA-N 2 1 324.472 3.048 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]12 ZINC000346848347 264108021 /nfs/dbraw/zinc/10/80/21/264108021.db2.gz QECPFKZMWCHSBH-GRDNDAEWSA-N 2 1 319.880 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(C4CCCC4)s3)C[C@H]21 ZINC000346847518 264108066 /nfs/dbraw/zinc/10/80/66/264108066.db2.gz MVMLIWBBDNHXRW-FVQBIDKESA-N 2 1 305.491 3.360 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346848982 264108332 /nfs/dbraw/zinc/10/83/32/264108332.db2.gz GBDKZJVVLUAJJM-FFZOFVMBSA-N 2 1 324.472 3.048 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346856975 264110348 /nfs/dbraw/zinc/11/03/48/264110348.db2.gz PYMFPDNEEKYYCT-UHOSZYNNSA-N 2 1 302.462 3.281 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCCC(C)C ZINC000346995492 264136421 /nfs/dbraw/zinc/13/64/21/264136421.db2.gz BJUBMILQNDNCLX-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCCC(C)C ZINC000346995492 264136423 /nfs/dbraw/zinc/13/64/23/264136423.db2.gz BJUBMILQNDNCLX-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347007428 264139300 /nfs/dbraw/zinc/13/93/00/264139300.db2.gz QJXRRNVZXRTCNW-QAPCUYQASA-N 2 1 312.461 3.165 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347007428 264139301 /nfs/dbraw/zinc/13/93/01/264139301.db2.gz QJXRRNVZXRTCNW-QAPCUYQASA-N 2 1 312.461 3.165 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(Br)c1)C1CC[NH2+]CC1 ZINC000347034186 264143954 /nfs/dbraw/zinc/14/39/54/264143954.db2.gz CJBYGLJNERGLPR-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC[NH2+]CC1 ZINC000347034186 264143956 /nfs/dbraw/zinc/14/39/56/264143956.db2.gz CJBYGLJNERGLPR-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347035216 264144517 /nfs/dbraw/zinc/14/45/17/264144517.db2.gz GELLKMVILABLMW-OLZOCXBDSA-N 2 1 316.367 3.187 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035952 264145221 /nfs/dbraw/zinc/14/52/21/264145221.db2.gz DRUIBDFXQNAFEC-ZIAGYGMSSA-N 2 1 312.404 3.464 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035952 264145222 /nfs/dbraw/zinc/14/52/22/264145222.db2.gz DRUIBDFXQNAFEC-ZIAGYGMSSA-N 2 1 312.404 3.464 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000347046598 264146821 /nfs/dbraw/zinc/14/68/21/264146821.db2.gz OTXTYKWTAFYLJL-HIFRSBDPSA-N 2 1 312.404 3.464 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064759 264150006 /nfs/dbraw/zinc/15/00/06/264150006.db2.gz XONIJDOEFNHSPE-JKSUJKDBSA-N 2 1 305.466 3.012 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc32)[C@H](C)C1 ZINC000347191519 264173170 /nfs/dbraw/zinc/17/31/70/264173170.db2.gz HMDSLIXLLONOFT-POAQFYNOSA-N 2 1 316.489 3.053 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347195787 264174295 /nfs/dbraw/zinc/17/42/95/264174295.db2.gz HDCAIOVZJVQEAO-JWTNVVGKSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347207364 264175982 /nfs/dbraw/zinc/17/59/82/264175982.db2.gz MYMAYTOWRDETBL-OCCSQVGLSA-N 2 1 318.852 3.289 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347211623 264176575 /nfs/dbraw/zinc/17/65/75/264176575.db2.gz OXVHVLCIVNTPTL-GXTWGEPZSA-N 2 1 318.852 3.289 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC(C)C ZINC000347217821 264177274 /nfs/dbraw/zinc/17/72/74/264177274.db2.gz RYFMGOIDVAARBE-GDBMZVCRSA-N 2 1 306.450 3.042 20 0 DGADMP COC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000347246549 264182704 /nfs/dbraw/zinc/18/27/04/264182704.db2.gz WQMYYMVGGFWMTI-MNNVXMFVSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000347424191 264218554 /nfs/dbraw/zinc/21/85/54/264218554.db2.gz SQUYBYFTQZGPOK-BFYDXBDKSA-N 2 1 318.490 3.006 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000347424191 264218556 /nfs/dbraw/zinc/21/85/56/264218556.db2.gz SQUYBYFTQZGPOK-BFYDXBDKSA-N 2 1 318.490 3.006 20 0 DGADMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1OC ZINC000347857873 264296823 /nfs/dbraw/zinc/29/68/23/264296823.db2.gz OYACYZHIIWMFTB-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1OC ZINC000347857873 264296824 /nfs/dbraw/zinc/29/68/24/264296824.db2.gz OYACYZHIIWMFTB-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC000347857873 264296825 /nfs/dbraw/zinc/29/68/25/264296825.db2.gz OYACYZHIIWMFTB-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)c1OC ZINC000347857873 264296826 /nfs/dbraw/zinc/29/68/26/264296826.db2.gz OYACYZHIIWMFTB-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347946856 264311755 /nfs/dbraw/zinc/31/17/55/264311755.db2.gz ZNEWEEACVLADFE-BBRMVZONSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]([NH2+]CCc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348089679 264337305 /nfs/dbraw/zinc/33/73/05/264337305.db2.gz VZARWEOCPXRBEZ-WBVHZDCISA-N 2 1 315.486 3.186 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348113509 264343301 /nfs/dbraw/zinc/34/33/01/264343301.db2.gz XCSKMAWMKCRMRE-QLFBSQMISA-N 2 1 322.415 3.341 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC[C@H]1CCC[NH+]1C ZINC000348116030 264344219 /nfs/dbraw/zinc/34/42/19/264344219.db2.gz URQWYAPWPLUNIU-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1CC[C@H]1CCC[N@@H+]1C ZINC000348116030 264344222 /nfs/dbraw/zinc/34/42/22/264344222.db2.gz URQWYAPWPLUNIU-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1CC[C@H]1CCC[N@H+]1C ZINC000348116030 264344224 /nfs/dbraw/zinc/34/42/24/264344224.db2.gz URQWYAPWPLUNIU-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CCSCC[NH+]1C/C=C\C[N@@H+]1CCSCC[C@H]1C ZINC000348159894 264354939 /nfs/dbraw/zinc/35/49/39/264354939.db2.gz OFELARRVOBTRRX-JGPFYOFESA-N 2 1 314.564 3.197 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348222841 264368318 /nfs/dbraw/zinc/36/83/18/264368318.db2.gz AOBIZQOBINDOLX-ROUUACIJSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348222841 264368320 /nfs/dbraw/zinc/36/83/20/264368320.db2.gz AOBIZQOBINDOLX-ROUUACIJSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348222841 264368322 /nfs/dbraw/zinc/36/83/22/264368322.db2.gz AOBIZQOBINDOLX-ROUUACIJSA-N 2 1 320.452 3.291 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000348301793 264384938 /nfs/dbraw/zinc/38/49/38/264384938.db2.gz BBCRVMBLIVZYAR-NHCUHLMSSA-N 2 1 321.468 3.262 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccc(-n2ccnc2)cc1)CC1CCCC1 ZINC000352518435 265077548 /nfs/dbraw/zinc/07/75/48/265077548.db2.gz IGELEPHYLZBREO-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(C)c1OC(F)F ZINC000352525390 265078874 /nfs/dbraw/zinc/07/88/74/265078874.db2.gz GGGJAGIXCGTCCS-GOSISDBHSA-N 2 1 324.415 3.480 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(C)c1OC(F)F ZINC000352525390 265078876 /nfs/dbraw/zinc/07/88/76/265078876.db2.gz GGGJAGIXCGTCCS-GOSISDBHSA-N 2 1 324.415 3.480 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cc(-n2ccnc2)cs1)CC1CCCC1 ZINC000352527070 265078950 /nfs/dbraw/zinc/07/89/50/265078950.db2.gz VXJMRQZQJCHTGJ-UHFFFAOYSA-N 3 1 318.490 3.275 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3ccccc3)CC2)s1 ZINC000352736154 265145634 /nfs/dbraw/zinc/14/56/34/265145634.db2.gz FPOWGGAYQQXPSX-UHFFFAOYSA-N 2 1 301.459 3.070 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000352813610 265179112 /nfs/dbraw/zinc/17/91/12/265179112.db2.gz BUMARCMRVMYCMT-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000352813610 265179115 /nfs/dbraw/zinc/17/91/15/265179115.db2.gz BUMARCMRVMYCMT-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000352813610 265179118 /nfs/dbraw/zinc/17/91/18/265179118.db2.gz BUMARCMRVMYCMT-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP CC(C)OCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352827278 265183237 /nfs/dbraw/zinc/18/32/37/265183237.db2.gz VMILLVXSWITGKH-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352827278 265183241 /nfs/dbraw/zinc/18/32/41/265183241.db2.gz VMILLVXSWITGKH-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352827278 265183246 /nfs/dbraw/zinc/18/32/46/265183246.db2.gz VMILLVXSWITGKH-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352964579 265248138 /nfs/dbraw/zinc/24/81/38/265248138.db2.gz DAYKDVNBXBLGBF-KEYYUXOJSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352964579 265248140 /nfs/dbraw/zinc/24/81/40/265248140.db2.gz DAYKDVNBXBLGBF-KEYYUXOJSA-N 2 1 304.409 3.256 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000353534709 265457176 /nfs/dbraw/zinc/45/71/76/265457176.db2.gz UMRULTXTGDCFCX-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCC2CC2)CC1 ZINC000355220312 266003555 /nfs/dbraw/zinc/00/35/55/266003555.db2.gz KSPIOPXJKUSSOV-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000355219471 266004086 /nfs/dbraw/zinc/00/40/86/266004086.db2.gz JKAJUOOBCDBOKQ-SUMWQHHRSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000355219471 266004088 /nfs/dbraw/zinc/00/40/88/266004088.db2.gz JKAJUOOBCDBOKQ-SUMWQHHRSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000355219471 266004090 /nfs/dbraw/zinc/00/40/90/266004090.db2.gz JKAJUOOBCDBOKQ-SUMWQHHRSA-N 2 1 302.393 3.488 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1C ZINC000355359844 266050357 /nfs/dbraw/zinc/05/03/57/266050357.db2.gz CMGJYXGMVBQFAF-INIZCTEOSA-N 2 1 313.445 3.192 20 0 DGADMP COc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)sc2c1 ZINC000355747081 266172151 /nfs/dbraw/zinc/17/21/51/266172151.db2.gz PTJFZNJUMBWGGQ-UHFFFAOYSA-N 2 1 319.474 3.079 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000356010190 266255431 /nfs/dbraw/zinc/25/54/31/266255431.db2.gz ZEHZDQVSVDECGR-TWMKSMIVSA-N 2 1 323.525 3.017 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191265869 432242816 /nfs/dbraw/zinc/24/28/16/432242816.db2.gz YMCYTQKTPLDDQP-KBPBESRZSA-N 2 1 317.481 3.438 20 0 DGADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000362463122 271019098 /nfs/dbraw/zinc/01/90/98/271019098.db2.gz FATXYITVMKMPJD-XWTMOSNGSA-N 2 1 310.526 3.226 20 0 DGADMP Clc1cnc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000367612376 271051477 /nfs/dbraw/zinc/05/14/77/271051477.db2.gz NFPIRMLUQJHPJH-SNVBAGLBSA-N 2 1 311.216 3.491 20 0 DGADMP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000367711265 271068887 /nfs/dbraw/zinc/06/88/87/271068887.db2.gz BBWFQRNNOUDSNV-KSSFIOAISA-N 2 1 322.493 3.174 20 0 DGADMP Cc1cccc(CCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000367950096 271102781 /nfs/dbraw/zinc/10/27/81/271102781.db2.gz JYBLJNMQHNKUFB-VAMGGRTRSA-N 2 1 316.489 3.111 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2occc2c1 ZINC000368021855 271116665 /nfs/dbraw/zinc/11/66/65/271116665.db2.gz MPVWMMDRRYVGFN-LMMKCTJWSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2occc2c1 ZINC000368021855 271116669 /nfs/dbraw/zinc/11/66/69/271116669.db2.gz MPVWMMDRRYVGFN-LMMKCTJWSA-N 2 1 314.429 3.116 20 0 DGADMP CCn1nc(C[N@H+]2CCCC23CC[NH+](C)CC3)c2ccccc21 ZINC000368966497 271228233 /nfs/dbraw/zinc/22/82/33/271228233.db2.gz PCWOJHRAECMTHR-UHFFFAOYSA-N 2 1 312.461 3.116 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000369541141 271290862 /nfs/dbraw/zinc/29/08/62/271290862.db2.gz SBHVGMOFRIUDBE-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000369541141 271290867 /nfs/dbraw/zinc/29/08/67/271290867.db2.gz SBHVGMOFRIUDBE-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541141 271290870 /nfs/dbraw/zinc/29/08/70/271290870.db2.gz SBHVGMOFRIUDBE-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541141 271290873 /nfs/dbraw/zinc/29/08/73/271290873.db2.gz SBHVGMOFRIUDBE-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000247938533 432253435 /nfs/dbraw/zinc/25/34/35/432253435.db2.gz CTLPOUQJZJPDAK-XAOHYQHJSA-N 2 1 314.473 3.197 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](Nc2ccccc2)C(C)C)[C@H](C)C1 ZINC000247921186 432253695 /nfs/dbraw/zinc/25/36/95/432253695.db2.gz BDYKJALMEVFEIE-NZSAHSFTSA-N 2 1 303.494 3.443 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC000247973943 432256600 /nfs/dbraw/zinc/25/66/00/432256600.db2.gz KGQKRWJDEWDHGU-RDJZCZTQSA-N 2 1 310.507 3.017 20 0 DGADMP CC[C@@H](CSC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000164060029 273719377 /nfs/dbraw/zinc/71/93/77/273719377.db2.gz RWISBUFCNKPPND-KRWDZBQOSA-N 2 1 306.519 3.425 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000297688713 274061195 /nfs/dbraw/zinc/06/11/95/274061195.db2.gz PRAGOHVBUWUAJG-KRWDZBQOSA-N 2 1 308.853 3.244 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)CC2 ZINC000162602744 274127308 /nfs/dbraw/zinc/12/73/08/274127308.db2.gz UWIPBQROBNJWOH-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)CC2 ZINC000162602744 274127309 /nfs/dbraw/zinc/12/73/09/274127309.db2.gz UWIPBQROBNJWOH-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000268819654 274132631 /nfs/dbraw/zinc/13/26/31/274132631.db2.gz NTRUDQCFBOCVPI-KUHUBIRLSA-N 2 1 300.446 3.147 20 0 DGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC000261950475 274141390 /nfs/dbraw/zinc/14/13/90/274141390.db2.gz WEYHMQVQWMQTPX-SXLOBPIMSA-N 2 1 310.441 3.408 20 0 DGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423462944 274210282 /nfs/dbraw/zinc/21/02/82/274210282.db2.gz AALVFXMLHJEMGV-RYUDHWBXSA-N 2 1 318.358 3.120 20 0 DGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCc3cccnc3CC2)([NH+](C)C)C1 ZINC000421818548 274295108 /nfs/dbraw/zinc/29/51/08/274295108.db2.gz BKLBWXFNAXIQPB-IMFGXOCKSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423132589 274307870 /nfs/dbraw/zinc/30/78/70/274307870.db2.gz JLHGFOIWHNDETL-BPLDGKMQSA-N 2 1 300.368 3.310 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCC[NH2+]C1 ZINC000414914182 274650972 /nfs/dbraw/zinc/65/09/72/274650972.db2.gz XKZLXSTYWKOOOZ-AWEZNQCLSA-N 2 1 304.331 3.324 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247975040 432259464 /nfs/dbraw/zinc/25/94/64/432259464.db2.gz KRRNEGMWDMEEDU-YESZJQIVSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000247975040 432259468 /nfs/dbraw/zinc/25/94/68/432259468.db2.gz KRRNEGMWDMEEDU-YESZJQIVSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000247975040 432259472 /nfs/dbraw/zinc/25/94/72/432259472.db2.gz KRRNEGMWDMEEDU-YESZJQIVSA-N 2 1 321.534 3.205 20 0 DGADMP Brc1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000274981409 275377661 /nfs/dbraw/zinc/37/76/61/275377661.db2.gz ZFQBERMVEOXLKN-ZDUSSCGKSA-N 2 1 324.266 3.299 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000474069589 275389960 /nfs/dbraw/zinc/38/99/60/275389960.db2.gz WKFPHNCFYXOHBQ-VNTMZGSJSA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000474069589 275389961 /nfs/dbraw/zinc/38/99/61/275389961.db2.gz WKFPHNCFYXOHBQ-VNTMZGSJSA-N 2 1 320.521 3.436 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1=CCCCC1 ZINC000423052280 275549305 /nfs/dbraw/zinc/54/93/05/275549305.db2.gz PLSQFZPNRXATPH-KZNAEPCWSA-N 2 1 306.494 3.260 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901861 275769753 /nfs/dbraw/zinc/76/97/53/275769753.db2.gz GNUYEYYOQJYSCR-QGZVFWFLSA-N 2 1 312.461 3.227 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000124008124 276075782 /nfs/dbraw/zinc/07/57/82/276075782.db2.gz GPPWKUHNLVDGAR-GOSISDBHSA-N 2 1 312.461 3.039 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298386185 276110901 /nfs/dbraw/zinc/11/09/01/276110901.db2.gz LGUWAKCGIQZCHD-UHFFFAOYSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000298386185 276110902 /nfs/dbraw/zinc/11/09/02/276110902.db2.gz LGUWAKCGIQZCHD-UHFFFAOYSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2Cl)CC1 ZINC000077249527 276149174 /nfs/dbraw/zinc/14/91/74/276149174.db2.gz OKSLNWMXKXGYRE-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CC1 ZINC000077249527 276149175 /nfs/dbraw/zinc/14/91/75/276149175.db2.gz OKSLNWMXKXGYRE-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP CCSCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693824 276394806 /nfs/dbraw/zinc/39/48/06/276394806.db2.gz NMSRQIRZCMAHSF-OAHLLOKOSA-N 2 1 310.532 3.445 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCOCCc3ccccc3)C2)C1 ZINC000292930612 277072004 /nfs/dbraw/zinc/07/20/04/277072004.db2.gz IYDZHRXRRQVFSH-HXUWFJFHSA-N 2 1 316.489 3.054 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292930612 277072005 /nfs/dbraw/zinc/07/20/05/277072005.db2.gz IYDZHRXRRQVFSH-HXUWFJFHSA-N 2 1 316.489 3.054 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292930612 277072007 /nfs/dbraw/zinc/07/20/07/277072007.db2.gz IYDZHRXRRQVFSH-HXUWFJFHSA-N 2 1 316.489 3.054 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000270037366 277332163 /nfs/dbraw/zinc/33/21/63/277332163.db2.gz ZGTYDUKOSZOLIF-BRWVUGGUSA-N 2 1 308.853 3.244 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000353432889 277451175 /nfs/dbraw/zinc/45/11/75/277451175.db2.gz DETHVWIFVFWXTH-AWEZNQCLSA-N 2 1 324.490 3.307 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCCC1)C2 ZINC000426032948 277461667 /nfs/dbraw/zinc/46/16/67/277461667.db2.gz AWJVEJSKHUQUAN-AEFFLSMTSA-N 2 1 316.489 3.407 20 0 DGADMP CO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000273633071 277729230 /nfs/dbraw/zinc/72/92/30/277729230.db2.gz SQCKWQGPOPGODW-QGZVFWFLSA-N 2 1 319.836 3.278 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414663888 278195807 /nfs/dbraw/zinc/19/58/07/278195807.db2.gz SEPJFGHVOOHIOK-AGIUHOORSA-N 2 1 300.368 3.478 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414744500 278265979 /nfs/dbraw/zinc/26/59/79/278265979.db2.gz WLJARHQHECLHEU-SWLSCSKDSA-N 2 1 300.368 3.480 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065355 279120955 /nfs/dbraw/zinc/12/09/55/279120955.db2.gz AFCHFXMOEAZVTO-VJANTYMQSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065355 279120958 /nfs/dbraw/zinc/12/09/58/279120958.db2.gz AFCHFXMOEAZVTO-VJANTYMQSA-N 3 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065355 279120960 /nfs/dbraw/zinc/12/09/60/279120960.db2.gz AFCHFXMOEAZVTO-VJANTYMQSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011155 288132059 /nfs/dbraw/zinc/13/20/59/288132059.db2.gz VIGBHAKJNKUPNF-IEBWSBKVSA-N 2 1 319.537 3.248 20 0 DGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011155 288132060 /nfs/dbraw/zinc/13/20/60/288132060.db2.gz VIGBHAKJNKUPNF-IEBWSBKVSA-N 2 1 319.537 3.248 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000474484104 279524549 /nfs/dbraw/zinc/52/45/49/279524549.db2.gz FIDVKAULFBMEOY-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070171116 431243852 /nfs/dbraw/zinc/24/38/52/431243852.db2.gz SMTZGXMRPXZDFF-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702190 288157479 /nfs/dbraw/zinc/15/74/79/288157479.db2.gz HZSRYQXEJUXPEW-JFIYKMOQSA-N 2 1 318.461 3.001 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000013734393 431566626 /nfs/dbraw/zinc/56/66/26/431566626.db2.gz LURCKFKQIXUCLB-UHFFFAOYSA-N 2 1 314.857 3.179 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000269029091 280255053 /nfs/dbraw/zinc/25/50/53/280255053.db2.gz RGFIYZOEAPOMIM-KBPBESRZSA-N 2 1 318.440 3.311 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630554 431794719 /nfs/dbraw/zinc/79/47/19/431794719.db2.gz FDFVSKZULGYHGU-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630554 431794723 /nfs/dbraw/zinc/79/47/23/431794723.db2.gz FDFVSKZULGYHGU-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630554 431794726 /nfs/dbraw/zinc/79/47/26/431794726.db2.gz FDFVSKZULGYHGU-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630554 431794731 /nfs/dbraw/zinc/79/47/31/431794731.db2.gz FDFVSKZULGYHGU-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000081634924 431799082 /nfs/dbraw/zinc/79/90/82/431799082.db2.gz QFSDLOLYYAXFJO-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000081634924 431799086 /nfs/dbraw/zinc/79/90/86/431799086.db2.gz QFSDLOLYYAXFJO-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1cccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081634924 431799088 /nfs/dbraw/zinc/79/90/88/431799088.db2.gz QFSDLOLYYAXFJO-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081634924 431799092 /nfs/dbraw/zinc/79/90/92/431799092.db2.gz QFSDLOLYYAXFJO-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000081634932 431800186 /nfs/dbraw/zinc/80/01/86/431800186.db2.gz QFSDLOLYYAXFJO-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1cccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000081634932 431800193 /nfs/dbraw/zinc/80/01/93/431800193.db2.gz QFSDLOLYYAXFJO-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081634932 431800198 /nfs/dbraw/zinc/80/01/98/431800198.db2.gz QFSDLOLYYAXFJO-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081634932 431800203 /nfs/dbraw/zinc/80/02/03/431800203.db2.gz QFSDLOLYYAXFJO-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Brc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000037408175 431846653 /nfs/dbraw/zinc/84/66/53/431846653.db2.gz OPGABHMRTWYWMO-SNVBAGLBSA-N 2 1 315.280 3.085 20 0 DGADMP Brc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000037408175 431846655 /nfs/dbraw/zinc/84/66/55/431846655.db2.gz OPGABHMRTWYWMO-SNVBAGLBSA-N 2 1 315.280 3.085 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000037643862 431848792 /nfs/dbraw/zinc/84/87/92/431848792.db2.gz ZEYYGZUBDSVLGU-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@@H]1CCC[NH+]1C ZINC000089428578 431865816 /nfs/dbraw/zinc/86/58/16/431865816.db2.gz WRJHHZHLEOOSIV-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000089428578 431865817 /nfs/dbraw/zinc/86/58/17/431865817.db2.gz WRJHHZHLEOOSIV-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000089428578 431865819 /nfs/dbraw/zinc/86/58/19/431865819.db2.gz WRJHHZHLEOOSIV-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000125101292 431913656 /nfs/dbraw/zinc/91/36/56/431913656.db2.gz LQRKPYXDDKNCDU-OAHLLOKOSA-N 2 1 302.462 3.233 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000093400478 431914870 /nfs/dbraw/zinc/91/48/70/431914870.db2.gz CEVVDDFLOCBLEP-GOSISDBHSA-N 2 1 322.518 3.416 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093692812 431916679 /nfs/dbraw/zinc/91/66/79/431916679.db2.gz NEEWTDWCSXBORE-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093692812 431916682 /nfs/dbraw/zinc/91/66/82/431916682.db2.gz NEEWTDWCSXBORE-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000123926733 431878336 /nfs/dbraw/zinc/87/83/36/431878336.db2.gz HLOLIPAQDHTAOJ-AWEZNQCLSA-N 2 1 312.461 3.396 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124196909 431886122 /nfs/dbraw/zinc/88/61/22/431886122.db2.gz INWYVPFEPKDBPH-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124196909 431886124 /nfs/dbraw/zinc/88/61/24/431886124.db2.gz INWYVPFEPKDBPH-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218661 431890506 /nfs/dbraw/zinc/89/05/06/431890506.db2.gz FIMNHUWMZJKFEC-SCTDSRPQSA-N 2 1 304.478 3.472 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000124360941 431891518 /nfs/dbraw/zinc/89/15/18/431891518.db2.gz RLURXZIKCHLFDU-PBHICJAKSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000124457056 431894882 /nfs/dbraw/zinc/89/48/82/431894882.db2.gz KCRAZUKEGXIOQA-OAHLLOKOSA-N 2 1 323.912 3.264 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000090806267 431895941 /nfs/dbraw/zinc/89/59/41/431895941.db2.gz BCAOVMPSULIEBY-CPUCHLNUSA-N 2 1 310.869 3.175 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091287739 431903532 /nfs/dbraw/zinc/90/35/32/431903532.db2.gz XMRGUAQNRQPLTC-MLGOLLRUSA-N 2 1 323.278 3.368 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000127479655 431973724 /nfs/dbraw/zinc/97/37/24/431973724.db2.gz ZGJFOVNPKBNYSG-ZYHUDNBSSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000127479655 431973726 /nfs/dbraw/zinc/97/37/26/431973726.db2.gz ZGJFOVNPKBNYSG-ZYHUDNBSSA-N 2 1 315.230 3.161 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000125539485 431929466 /nfs/dbraw/zinc/92/94/66/431929466.db2.gz LGQGRFLMDWEBRF-QFBILLFUSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000125539485 431929469 /nfs/dbraw/zinc/92/94/69/431929469.db2.gz LGQGRFLMDWEBRF-QFBILLFUSA-N 2 1 313.445 3.434 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000051919508 431953483 /nfs/dbraw/zinc/95/34/83/431953483.db2.gz STGSXEBSPZIGMY-ZDUSSCGKSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127779804 431980634 /nfs/dbraw/zinc/98/06/34/431980634.db2.gz LIDDIBJWVFCCKZ-PBFPGSCMSA-N 2 1 303.425 3.168 20 0 DGADMP CC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000128098712 431987453 /nfs/dbraw/zinc/98/74/53/431987453.db2.gz RLFHQHWPMZFHIT-OAHLLOKOSA-N 2 1 313.445 3.330 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000128098712 431987455 /nfs/dbraw/zinc/98/74/55/431987455.db2.gz RLFHQHWPMZFHIT-OAHLLOKOSA-N 2 1 313.445 3.330 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000173346017 432273216 /nfs/dbraw/zinc/27/32/16/432273216.db2.gz SAHZHHQPYUFJIS-INIZCTEOSA-N 2 1 318.505 3.482 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248186767 432273868 /nfs/dbraw/zinc/27/38/68/432273868.db2.gz XMWRZDHMDPZAMA-AZUAARDMSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248186767 432273872 /nfs/dbraw/zinc/27/38/72/432273872.db2.gz XMWRZDHMDPZAMA-AZUAARDMSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248186767 432273874 /nfs/dbraw/zinc/27/38/74/432273874.db2.gz XMWRZDHMDPZAMA-AZUAARDMSA-N 2 1 316.489 3.488 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)CC3CCCCC3)C2)CC1 ZINC000183330763 432283405 /nfs/dbraw/zinc/28/34/05/432283405.db2.gz SZDMUVCLSONZAB-AZUAARDMSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000248445925 432292206 /nfs/dbraw/zinc/29/22/06/432292206.db2.gz MRSGMRLRISCDIH-YJBOKZPZSA-N 2 1 304.478 3.168 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@H+](C)CCn1cc[nH+]c1C)CCC2 ZINC000270838366 432296165 /nfs/dbraw/zinc/29/61/65/432296165.db2.gz FKCMNNSYMYWHSE-CQSZACIVSA-N 2 1 304.463 3.220 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CCn1cc[nH+]c1C)CCC2 ZINC000270838366 432296170 /nfs/dbraw/zinc/29/61/70/432296170.db2.gz FKCMNNSYMYWHSE-CQSZACIVSA-N 2 1 304.463 3.220 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000247995868 432261169 /nfs/dbraw/zinc/26/11/69/432261169.db2.gz JVWGSOYTMUILGI-GDBMZVCRSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000247995868 432261172 /nfs/dbraw/zinc/26/11/72/432261172.db2.gz JVWGSOYTMUILGI-GDBMZVCRSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000247995868 432261178 /nfs/dbraw/zinc/26/11/78/432261178.db2.gz JVWGSOYTMUILGI-GDBMZVCRSA-N 2 1 310.388 3.204 20 0 DGADMP COCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000270590796 432261309 /nfs/dbraw/zinc/26/13/09/432261309.db2.gz FASUCBOHLARGEP-INIZCTEOSA-N 2 1 301.434 3.291 20 0 DGADMP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000270590796 432261313 /nfs/dbraw/zinc/26/13/13/432261313.db2.gz FASUCBOHLARGEP-INIZCTEOSA-N 2 1 301.434 3.291 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248009981 432261364 /nfs/dbraw/zinc/26/13/64/432261364.db2.gz LEEABUZFPBNTOC-CABCVRRESA-N 2 1 310.507 3.198 20 0 DGADMP COCCCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183129593 432261725 /nfs/dbraw/zinc/26/17/25/432261725.db2.gz YUYSEYXBLSPWLR-UFYCRDLUSA-N 2 1 316.489 3.303 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000248053301 432263896 /nfs/dbraw/zinc/26/38/96/432263896.db2.gz WVAZNFJJWQEZRB-VDGAXYAQSA-N 2 1 316.489 3.401 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000248041415 432264310 /nfs/dbraw/zinc/26/43/10/432264310.db2.gz TUVYBDHZJMMLBY-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@@H+](CCCn1ccnc1)CCc1ccc(Br)cc1 ZINC000183176477 432265447 /nfs/dbraw/zinc/26/54/47/432265447.db2.gz CYUSXMVATIJJOW-UHFFFAOYSA-N 2 1 322.250 3.210 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCN(C)c1ccccc1 ZINC000191473583 432268126 /nfs/dbraw/zinc/26/81/26/432268126.db2.gz NQNCENTVULCWIN-UHFFFAOYSA-N 2 1 314.477 3.294 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000191473583 432268129 /nfs/dbraw/zinc/26/81/29/432268129.db2.gz NQNCENTVULCWIN-UHFFFAOYSA-N 2 1 314.477 3.294 20 0 DGADMP COc1ccc(Cl)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248803932 432319695 /nfs/dbraw/zinc/31/96/95/432319695.db2.gz AVQAAPNBVWRFFH-CXAGYDPISA-N 2 1 308.853 3.265 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000271072630 432327118 /nfs/dbraw/zinc/32/71/18/432327118.db2.gz WEZBLUULHSEOTK-QGZVFWFLSA-N 2 1 319.493 3.213 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152402229 432331215 /nfs/dbraw/zinc/33/12/15/432331215.db2.gz NLEVIJLUXSWGPW-DYVFJYSZSA-N 2 1 304.409 3.113 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152402229 432331219 /nfs/dbraw/zinc/33/12/19/432331219.db2.gz NLEVIJLUXSWGPW-DYVFJYSZSA-N 2 1 304.409 3.113 20 0 DGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152435580 432332399 /nfs/dbraw/zinc/33/23/99/432332399.db2.gz UKVVAZMHQBAENZ-VQIMIIECSA-N 2 1 304.453 3.467 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000249045655 432334924 /nfs/dbraw/zinc/33/49/24/432334924.db2.gz NOCLSYPEAAMXBM-USYVTKNRSA-N 2 1 314.473 3.054 20 0 DGADMP C[NH+]1CCC(NCc2ccc(Br)c(Cl)c2)CC1 ZINC000192165398 432338825 /nfs/dbraw/zinc/33/88/25/432338825.db2.gz SCBBVOXGAYUITQ-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165398 432338829 /nfs/dbraw/zinc/33/88/29/432338829.db2.gz SCBBVOXGAYUITQ-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000152617615 432344069 /nfs/dbraw/zinc/34/40/69/432344069.db2.gz HKJXYVHBMATCBE-HOCLYGCPSA-N 2 1 310.869 3.347 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249396066 432347002 /nfs/dbraw/zinc/34/70/02/432347002.db2.gz ZZEMGYROSQOFIV-JFRXWTBNSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249396066 432347003 /nfs/dbraw/zinc/34/70/03/432347003.db2.gz ZZEMGYROSQOFIV-JFRXWTBNSA-N 2 1 302.462 3.054 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000249456418 432347862 /nfs/dbraw/zinc/34/78/62/432347862.db2.gz YCHAYTOQTWJTSU-WBMJQRKESA-N 2 1 323.278 3.368 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248629541 432309043 /nfs/dbraw/zinc/30/90/43/432309043.db2.gz HGDBVBRMILUEMP-USXIJHARSA-N 2 1 302.462 3.187 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(Cl)c2)C1 ZINC000173924259 432309093 /nfs/dbraw/zinc/30/90/93/432309093.db2.gz QDOJABLTNYHPEQ-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000173924259 432309096 /nfs/dbraw/zinc/30/90/96/432309096.db2.gz QDOJABLTNYHPEQ-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000173924259 432309100 /nfs/dbraw/zinc/30/91/00/432309100.db2.gz QDOJABLTNYHPEQ-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C2 ZINC000192442001 432374775 /nfs/dbraw/zinc/37/47/75/432374775.db2.gz FPQDVZVXLKNWBK-INIZCTEOSA-N 2 1 302.462 3.017 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C2 ZINC000192442001 432374778 /nfs/dbraw/zinc/37/47/78/432374778.db2.gz FPQDVZVXLKNWBK-INIZCTEOSA-N 2 1 302.462 3.017 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000252457092 432376530 /nfs/dbraw/zinc/37/65/30/432376530.db2.gz ZVBRGDOPHHXSSN-WBMJQRKESA-N 2 1 323.278 3.368 20 0 DGADMP CCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000192502199 432381975 /nfs/dbraw/zinc/38/19/75/432381975.db2.gz OEEIPGVITQDQET-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP Brc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674879 432385639 /nfs/dbraw/zinc/38/56/39/432385639.db2.gz VBVMGVMVXYHHBR-NEPJUHHUSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674879 432385644 /nfs/dbraw/zinc/38/56/44/432385644.db2.gz VBVMGVMVXYHHBR-NEPJUHHUSA-N 2 1 315.280 3.227 20 0 DGADMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153248887 432393925 /nfs/dbraw/zinc/39/39/25/432393925.db2.gz HTHGESXNTCMTIY-QGZVFWFLSA-N 2 1 318.505 3.487 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000249787424 432357826 /nfs/dbraw/zinc/35/78/26/432357826.db2.gz DRSVSNAYHJRJKW-CJODITQLSA-N 2 1 311.429 3.399 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261556752 432429849 /nfs/dbraw/zinc/42/98/49/432429849.db2.gz WGHPIZZBBZRDNY-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261556752 432429854 /nfs/dbraw/zinc/42/98/54/432429854.db2.gz WGHPIZZBBZRDNY-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP C1CCC([N@H+]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC000153676330 432431569 /nfs/dbraw/zinc/43/15/69/432431569.db2.gz IMWYACLCMKEDEG-GOSISDBHSA-N 2 1 319.537 3.390 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000153719370 432435210 /nfs/dbraw/zinc/43/52/10/432435210.db2.gz HPAQYBUWJFKJJA-ZHALLVOQSA-N 2 1 316.489 3.370 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622806 432435774 /nfs/dbraw/zinc/43/57/74/432435774.db2.gz DOJRBGMOKCLRPK-IUODEOHRSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622806 432435776 /nfs/dbraw/zinc/43/57/76/432435776.db2.gz DOJRBGMOKCLRPK-IUODEOHRSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(N)c2)C1 ZINC000261686824 432440296 /nfs/dbraw/zinc/44/02/96/432440296.db2.gz MMCRGXQQUDWMDR-WMZOPIPTSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261686824 432440302 /nfs/dbraw/zinc/44/03/02/432440302.db2.gz MMCRGXQQUDWMDR-WMZOPIPTSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261686824 432440304 /nfs/dbraw/zinc/44/03/04/432440304.db2.gz MMCRGXQQUDWMDR-WMZOPIPTSA-N 2 1 301.478 3.355 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000153770137 432442086 /nfs/dbraw/zinc/44/20/86/432442086.db2.gz MUUVMBXAJPAKIT-CYBMUJFWSA-N 2 1 318.383 3.324 20 0 DGADMP Clc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261731716 432444248 /nfs/dbraw/zinc/44/42/48/432444248.db2.gz RGYKCGBZMVCGRT-QGZVFWFLSA-N 2 1 301.821 3.074 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261731716 432444252 /nfs/dbraw/zinc/44/42/52/432444252.db2.gz RGYKCGBZMVCGRT-QGZVFWFLSA-N 2 1 301.821 3.074 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]12 ZINC000261736461 432446497 /nfs/dbraw/zinc/44/64/97/432446497.db2.gz RTELSAUDVKXXIW-MRCXROJRSA-N 2 1 302.315 3.014 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]12 ZINC000261736461 432446501 /nfs/dbraw/zinc/44/65/01/432446501.db2.gz RTELSAUDVKXXIW-MRCXROJRSA-N 2 1 302.315 3.014 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000261812676 432453038 /nfs/dbraw/zinc/45/30/38/432453038.db2.gz GRJOCJIWBAIDKT-SZMVWBNQSA-N 2 1 311.429 3.209 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(OCCC)c1 ZINC000261843667 432455073 /nfs/dbraw/zinc/45/50/73/432455073.db2.gz QTRSQZIKXUMVJE-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(OCCC)c1 ZINC000261843667 432455075 /nfs/dbraw/zinc/45/50/75/432455075.db2.gz QTRSQZIKXUMVJE-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP NC1(c2noc(/C=C/c3ccc(-n4ccnc4)cc3)n2)CCCC1 ZINC000261862801 432455825 /nfs/dbraw/zinc/45/58/25/432455825.db2.gz UMWYABNCAXKRFA-VMPITWQZSA-N 2 1 321.384 3.154 20 0 DGADMP CC1CC[NH+](CCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000153930719 432458053 /nfs/dbraw/zinc/45/80/53/432458053.db2.gz HWHMMBAVUZFGNB-VQTJNVASSA-N 2 1 321.553 3.305 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000184578278 432408424 /nfs/dbraw/zinc/40/84/24/432408424.db2.gz HGDBVBRMILUEMP-XIRDDKMYSA-N 2 1 302.462 3.187 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC(C)(C)O1 ZINC000184660438 432417848 /nfs/dbraw/zinc/41/78/48/432417848.db2.gz IIBBOYZLVVDJME-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262180860 432477231 /nfs/dbraw/zinc/47/72/31/432477231.db2.gz ZPFSCZXYMQDDKD-RLFYNMQTSA-N 2 1 317.477 3.230 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCC1 ZINC000193964542 432512358 /nfs/dbraw/zinc/51/23/58/432512358.db2.gz AZKDAENJBBZYTJ-BRSBDYLESA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC000272327977 432483097 /nfs/dbraw/zinc/48/30/97/432483097.db2.gz XIVFQTYDPGJHIC-LPHOPBHVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC000272327977 432483100 /nfs/dbraw/zinc/48/31/00/432483100.db2.gz XIVFQTYDPGJHIC-LPHOPBHVSA-N 2 1 302.462 3.056 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272371578 432488948 /nfs/dbraw/zinc/48/89/48/432488948.db2.gz UTSFBDSHLCIDLC-YQVWRLOYSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387089 432492349 /nfs/dbraw/zinc/49/23/49/432492349.db2.gz GFZBFUDRNMXLLG-AFYVEPGGSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000154467865 432501369 /nfs/dbraw/zinc/50/13/69/432501369.db2.gz VKAFOFMLCNPGLJ-LJQANCHMSA-N 2 1 303.494 3.145 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000154480793 432501663 /nfs/dbraw/zinc/50/16/63/432501663.db2.gz XMWNVKVNSNGMJW-IBGZPJMESA-N 2 1 317.521 3.372 20 0 DGADMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272450302 432503978 /nfs/dbraw/zinc/50/39/78/432503978.db2.gz VUEFJMLTWIVNRV-AKHDSKFASA-N 2 1 316.489 3.179 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000154516435 432504900 /nfs/dbraw/zinc/50/49/00/432504900.db2.gz DIMWVEQPDSKFFL-GOSISDBHSA-N 2 1 303.494 3.063 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206542 432462594 /nfs/dbraw/zinc/46/25/94/432462594.db2.gz PKUITMKQONLHHE-LPHOPBHVSA-N 2 1 310.441 3.392 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]21 ZINC000261978005 432465961 /nfs/dbraw/zinc/46/59/61/432465961.db2.gz QZIOHEYRVHVZCJ-MVWJERBFSA-N 2 1 304.381 3.326 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]21 ZINC000261978005 432465963 /nfs/dbraw/zinc/46/59/63/432465963.db2.gz QZIOHEYRVHVZCJ-MVWJERBFSA-N 2 1 304.381 3.326 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000261988023 432467010 /nfs/dbraw/zinc/46/70/10/432467010.db2.gz JWXWFYFDZPXZMP-FQEVSTJZSA-N 2 1 323.440 3.368 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000261988023 432467018 /nfs/dbraw/zinc/46/70/18/432467018.db2.gz JWXWFYFDZPXZMP-FQEVSTJZSA-N 2 1 323.440 3.368 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000186122876 432560187 /nfs/dbraw/zinc/56/01/87/432560187.db2.gz ABBMVLBBQHONQF-LJQANCHMSA-N 2 1 316.489 3.117 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000193975837 432513605 /nfs/dbraw/zinc/51/36/05/432513605.db2.gz ISMOSTQXCAQXJT-NCXUSEDFSA-N 2 1 320.521 3.436 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(Cl)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739518 432528662 /nfs/dbraw/zinc/52/86/62/432528662.db2.gz GWMHCYQTXHDWSV-KBPBESRZSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(Cl)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739518 432528667 /nfs/dbraw/zinc/52/86/67/432528667.db2.gz GWMHCYQTXHDWSV-KBPBESRZSA-N 2 1 307.869 3.478 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195135857 432608221 /nfs/dbraw/zinc/60/82/21/432608221.db2.gz HLTJHGMNMVHHKX-SJLPKXTDSA-N 2 1 312.461 3.076 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000186573605 432608667 /nfs/dbraw/zinc/60/86/67/432608667.db2.gz KHEUYPWTERRJMO-IHPCNDPISA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000186573605 432608671 /nfs/dbraw/zinc/60/86/71/432608671.db2.gz KHEUYPWTERRJMO-IHPCNDPISA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000186573605 432608675 /nfs/dbraw/zinc/60/86/75/432608675.db2.gz KHEUYPWTERRJMO-IHPCNDPISA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000186573605 432608680 /nfs/dbraw/zinc/60/86/80/432608680.db2.gz KHEUYPWTERRJMO-IHPCNDPISA-N 2 1 317.521 3.215 20 0 DGADMP CCc1nccn1[C@@H]1CCCN(Cc2cc(O)cc(F)c2)C1 ZINC000186221070 432569290 /nfs/dbraw/zinc/56/92/90/432569290.db2.gz LQPKMQGFUBXSLD-OAHLLOKOSA-N 2 1 303.381 3.127 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000273247129 432573196 /nfs/dbraw/zinc/57/31/96/432573196.db2.gz ZRCWIDXRFVUZEQ-IBGZPJMESA-N 2 1 324.403 3.495 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000273301297 432580471 /nfs/dbraw/zinc/58/04/71/432580471.db2.gz NALKPWRREBLPMP-DZGCQCFKSA-N 2 1 304.459 3.009 20 0 DGADMP Cc1nc2ccccc2n1CCNCc1cn2cc(C)ccc2n1 ZINC000263840242 432582866 /nfs/dbraw/zinc/58/28/66/432582866.db2.gz JYYQETJOWSZZAS-UHFFFAOYSA-N 2 1 319.412 3.091 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273375533 432592812 /nfs/dbraw/zinc/59/28/12/432592812.db2.gz CMYONWOWPDFFBI-CEXWTWQISA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273375533 432592817 /nfs/dbraw/zinc/59/28/17/432592817.db2.gz CMYONWOWPDFFBI-CEXWTWQISA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273375533 432592822 /nfs/dbraw/zinc/59/28/22/432592822.db2.gz CMYONWOWPDFFBI-CEXWTWQISA-N 2 1 320.452 3.462 20 0 DGADMP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000186499032 432602610 /nfs/dbraw/zinc/60/26/10/432602610.db2.gz DPEGQBPUTJBFIZ-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)CC1CC[NH+](C)CC1 ZINC000186688265 432622413 /nfs/dbraw/zinc/62/24/13/432622413.db2.gz OGLMTOZNEUAVQL-UHFFFAOYSA-N 2 1 318.461 3.105 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1C ZINC000157965533 432634118 /nfs/dbraw/zinc/63/41/18/432634118.db2.gz KVMIXUSOLMHQQP-OKZBNKHCSA-N 2 1 303.494 3.140 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158084633 432636898 /nfs/dbraw/zinc/63/68/98/432636898.db2.gz MLNXSAKDOQCLIO-LIEJCIORSA-N 2 1 302.462 3.225 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CCOCC1 ZINC000123247151 282045044 /nfs/dbraw/zinc/04/50/44/282045044.db2.gz IBFGUPXLUISLGE-QZTJIDSGSA-N 2 1 316.489 3.269 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOCC2CC2)CC1 ZINC000158832454 432659707 /nfs/dbraw/zinc/65/97/07/432659707.db2.gz GNHNOWCMPIZFPU-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059694 432666304 /nfs/dbraw/zinc/66/63/04/432666304.db2.gz MWVHGJQEAFIXTK-HUUCEWRRSA-N 2 1 313.449 3.049 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059694 432666309 /nfs/dbraw/zinc/66/63/09/432666309.db2.gz MWVHGJQEAFIXTK-HUUCEWRRSA-N 2 1 313.449 3.049 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cc(C)cc(C)c2)C1 ZINC000177832809 432666575 /nfs/dbraw/zinc/66/65/75/432666575.db2.gz AHLRGSXUVOLSBF-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000177832809 432666579 /nfs/dbraw/zinc/66/65/79/432666579.db2.gz AHLRGSXUVOLSBF-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000177832809 432666582 /nfs/dbraw/zinc/66/65/82/432666582.db2.gz AHLRGSXUVOLSBF-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000177838568 432667106 /nfs/dbraw/zinc/66/71/06/432667106.db2.gz AYLKNGDONBIJIA-AWEZNQCLSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000178188304 432704184 /nfs/dbraw/zinc/70/41/84/432704184.db2.gz XOFDSSJGFUSIJA-KNCCTNLNSA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1N(C)C ZINC000178256712 432711938 /nfs/dbraw/zinc/71/19/38/432711938.db2.gz ZMEYRQGJSQEWMH-CQSZACIVSA-N 2 1 319.468 3.417 20 0 DGADMP C[C@H]([NH2+]CCc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928821 432721015 /nfs/dbraw/zinc/72/10/15/432721015.db2.gz QLLKXDWTTJUJEN-HKUYNNGSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928817 432721250 /nfs/dbraw/zinc/72/12/50/432721250.db2.gz QLCFIUXKJWCFHB-YTQUADARSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928815 432721618 /nfs/dbraw/zinc/72/16/18/432721618.db2.gz QLCFIUXKJWCFHB-UHOSZYNNSA-N 2 1 318.505 3.284 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)cs3)C[C@@H]21 ZINC000230046827 432725177 /nfs/dbraw/zinc/72/51/77/432725177.db2.gz RKCOWNYZJNJNDV-TVYUQYBPSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@@H]21 ZINC000230046827 432725179 /nfs/dbraw/zinc/72/51/79/432725179.db2.gz RKCOWNYZJNJNDV-TVYUQYBPSA-N 2 1 315.280 3.070 20 0 DGADMP C[N@H+](CCCO)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000265187988 432673615 /nfs/dbraw/zinc/67/36/15/432673615.db2.gz GLHIFYSCCJNEJJ-UHFFFAOYSA-N 2 1 318.486 3.180 20 0 DGADMP C[N@@H+](CCCO)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000265187988 432673619 /nfs/dbraw/zinc/67/36/19/432673619.db2.gz GLHIFYSCCJNEJJ-UHFFFAOYSA-N 2 1 318.486 3.180 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000159314870 432679704 /nfs/dbraw/zinc/67/97/04/432679704.db2.gz SUGNYSNMQYMWLB-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CNC2CC[NH+](C(C)C)CC2)c1 ZINC000177979947 432682440 /nfs/dbraw/zinc/68/24/40/432682440.db2.gz HUVGVKQLCJLXOD-UHFFFAOYSA-N 2 1 317.521 3.489 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000177979947 432682441 /nfs/dbraw/zinc/68/24/41/432682441.db2.gz HUVGVKQLCJLXOD-UHFFFAOYSA-N 3 1 317.521 3.489 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000177979947 432682445 /nfs/dbraw/zinc/68/24/45/432682445.db2.gz HUVGVKQLCJLXOD-UHFFFAOYSA-N 3 1 317.521 3.489 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000187763456 432683069 /nfs/dbraw/zinc/68/30/69/432683069.db2.gz JSWTUOQOLXWGNX-MOPGFXCFSA-N 2 1 304.478 3.055 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000178012131 432685114 /nfs/dbraw/zinc/68/51/14/432685114.db2.gz ZYVVYAYTBIHYGK-OAHLLOKOSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000178038950 432687470 /nfs/dbraw/zinc/68/74/70/432687470.db2.gz MWIBFMNNRWGJSE-QKLQHJQFSA-N 2 1 316.489 3.461 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000178038940 432688426 /nfs/dbraw/zinc/68/84/26/432688426.db2.gz MWIBFMNNRWGJSE-FUHIMQAGSA-N 2 1 316.489 3.461 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000236605713 432751759 /nfs/dbraw/zinc/75/17/59/432751759.db2.gz OGFMPTSYUFDKGG-HXUWFJFHSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000236605713 432751762 /nfs/dbraw/zinc/75/17/62/432751762.db2.gz OGFMPTSYUFDKGG-HXUWFJFHSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1occc1C[NH+](C)CCOCC[N@H+](C)Cc1ccoc1C ZINC000178612757 432758992 /nfs/dbraw/zinc/75/89/92/432758992.db2.gz WBNJJPKQWOXLFS-UHFFFAOYSA-N 2 1 320.433 3.070 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)[C@H](C)C1 ZINC000178756515 432774711 /nfs/dbraw/zinc/77/47/11/432774711.db2.gz HLUBWHCDZYKYIZ-GJYPPUQNSA-N 2 1 320.477 3.180 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1C)CCS2 ZINC000276131163 432776667 /nfs/dbraw/zinc/77/66/67/432776667.db2.gz LNTYXBSWKRJNAZ-MRXNPFEDSA-N 2 1 317.458 3.417 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000178414179 432733005 /nfs/dbraw/zinc/73/30/05/432733005.db2.gz JDPUTFAJEKWJHP-KRWDZBQOSA-N 2 1 312.461 3.068 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2csc(Br)c2)CC[NH2+]1 ZINC000235380092 432741579 /nfs/dbraw/zinc/74/15/79/432741579.db2.gz FZAFHGOEWLBZES-MNOVXSKESA-N 2 1 317.296 3.331 20 0 DGADMP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000178479175 432742601 /nfs/dbraw/zinc/74/26/01/432742601.db2.gz VWFHTKFZYAEHKT-OTRWWLKZSA-N 2 1 318.461 3.227 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000162245260 432817700 /nfs/dbraw/zinc/81/77/00/432817700.db2.gz DFGYCCVRDDPAAX-IBGZPJMESA-N 2 1 322.456 3.339 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000162313383 432820314 /nfs/dbraw/zinc/82/03/14/432820314.db2.gz FCECLGVUDOHVTB-CQSZACIVSA-N 2 1 314.433 3.314 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000162570246 432827700 /nfs/dbraw/zinc/82/77/00/432827700.db2.gz WFGSIFQELZNSEA-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000277005291 432827724 /nfs/dbraw/zinc/82/77/24/432827724.db2.gz XBZGVAUQRSFDJB-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000277005291 432827725 /nfs/dbraw/zinc/82/77/25/432827725.db2.gz XBZGVAUQRSFDJB-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(OC2CCCC2)nc1 ZINC000162632144 432830089 /nfs/dbraw/zinc/83/00/89/432830089.db2.gz JVZVXCFOUMKRMK-IIDMSEBBSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162632144 432830091 /nfs/dbraw/zinc/83/00/91/432830091.db2.gz JVZVXCFOUMKRMK-IIDMSEBBSA-N 2 1 317.477 3.221 20 0 DGADMP O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161543097 432785464 /nfs/dbraw/zinc/78/54/64/432785464.db2.gz MVGOYUNVYQBRLE-IRXDYDNUSA-N 2 1 306.450 3.044 20 0 DGADMP O[C@@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161543097 432785467 /nfs/dbraw/zinc/78/54/67/432785467.db2.gz MVGOYUNVYQBRLE-IRXDYDNUSA-N 2 1 306.450 3.044 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719598 432795128 /nfs/dbraw/zinc/79/51/28/432795128.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719598 432795130 /nfs/dbraw/zinc/79/51/30/432795130.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719598 432795135 /nfs/dbraw/zinc/79/51/35/432795135.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719598 432795139 /nfs/dbraw/zinc/79/51/39/432795139.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719598 432795142 /nfs/dbraw/zinc/79/51/42/432795142.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719598 432795146 /nfs/dbraw/zinc/79/51/46/432795146.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719598 432795149 /nfs/dbraw/zinc/79/51/49/432795149.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000161719598 432795153 /nfs/dbraw/zinc/79/51/53/432795153.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000161719598 432795156 /nfs/dbraw/zinc/79/51/56/432795156.db2.gz ACUZSUAIZGGKCV-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC000276465427 432810096 /nfs/dbraw/zinc/81/00/96/432810096.db2.gz XOWUSFSBMRKYRQ-PSBWJHGTSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000277640308 432866086 /nfs/dbraw/zinc/86/60/86/432866086.db2.gz CVSQFOYBMSDYCZ-RLLQIKCJSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000277640308 432866089 /nfs/dbraw/zinc/86/60/89/432866089.db2.gz CVSQFOYBMSDYCZ-RLLQIKCJSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3o2)CCCO1 ZINC000277817351 432877249 /nfs/dbraw/zinc/87/72/49/432877249.db2.gz KXMRQLWFQYSKHH-OAHLLOKOSA-N 2 1 302.418 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3o2)CCCO1 ZINC000277817351 432877250 /nfs/dbraw/zinc/87/72/50/432877250.db2.gz KXMRQLWFQYSKHH-OAHLLOKOSA-N 2 1 302.418 3.023 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000278202276 432889177 /nfs/dbraw/zinc/88/91/77/432889177.db2.gz GSFJQHIKYNQUPK-VQTJNVASSA-N 2 1 316.489 3.307 20 0 DGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)CCCn1cc[nH+]c1C)CCC2 ZINC000162986759 432839709 /nfs/dbraw/zinc/83/97/09/432839709.db2.gz VMFVSDZEWTXTRE-HNNXBMFYSA-N 2 1 304.463 3.356 20 0 DGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCn1cc[nH+]c1C)CCC2 ZINC000162986759 432839711 /nfs/dbraw/zinc/83/97/11/432839711.db2.gz VMFVSDZEWTXTRE-HNNXBMFYSA-N 2 1 304.463 3.356 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163102135 432843923 /nfs/dbraw/zinc/84/39/23/432843923.db2.gz DFNTWKQVEKMMJQ-QGZVFWFLSA-N 2 1 313.445 3.470 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163102135 432843926 /nfs/dbraw/zinc/84/39/26/432843926.db2.gz DFNTWKQVEKMMJQ-QGZVFWFLSA-N 2 1 313.445 3.470 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000163229916 432846060 /nfs/dbraw/zinc/84/60/60/432846060.db2.gz HVCSGEKYMKHHAP-CVEARBPZSA-N 2 1 319.474 3.231 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000163229916 432846062 /nfs/dbraw/zinc/84/60/62/432846062.db2.gz HVCSGEKYMKHHAP-CVEARBPZSA-N 2 1 319.474 3.231 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCO[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000163368615 432850885 /nfs/dbraw/zinc/85/08/85/432850885.db2.gz MLPYVDVWEPNRTB-ZIFCJYIRSA-N 2 1 304.478 3.474 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278990476 432924573 /nfs/dbraw/zinc/92/45/73/432924573.db2.gz QBFSEWCFBVATHU-CJNGLKHVSA-N 2 1 315.392 3.088 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279029244 432926599 /nfs/dbraw/zinc/92/65/99/432926599.db2.gz VWYRMHJIPAGUNF-CHWSQXEVSA-N 2 1 321.371 3.398 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000279054147 432929757 /nfs/dbraw/zinc/92/97/57/432929757.db2.gz YHNUUYDERSISCP-XJKSGUPXSA-N 2 1 319.836 3.076 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000289247848 432938362 /nfs/dbraw/zinc/93/83/62/432938362.db2.gz FAAKJMVBRHBCTM-VQTJNVASSA-N 2 1 312.457 3.277 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000289247841 432938657 /nfs/dbraw/zinc/93/86/57/432938657.db2.gz FAAKJMVBRHBCTM-PMACEKPBSA-N 2 1 312.457 3.277 20 0 DGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278591373 432896847 /nfs/dbraw/zinc/89/68/47/432896847.db2.gz QOOQNNOCTKXNIR-FRQCXROJSA-N 2 1 302.462 3.010 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278770452 432900435 /nfs/dbraw/zinc/90/04/35/432900435.db2.gz XVIDJGBECNOSAI-QFBILLFUSA-N 2 1 302.462 3.073 20 0 DGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278903231 432915650 /nfs/dbraw/zinc/91/56/50/432915650.db2.gz FXBAPVGIADDXMO-FUHWJXTLSA-N 2 1 315.436 3.442 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000289095956 432921672 /nfs/dbraw/zinc/92/16/72/432921672.db2.gz BTUOSISVAFZRQI-GJYPPUQNSA-N 2 1 302.462 3.061 20 0 DGADMP Oc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279422405 432967652 /nfs/dbraw/zinc/96/76/52/432967652.db2.gz NKSYZYITVGNPNF-UHFFFAOYSA-N 2 1 311.429 3.305 20 0 DGADMP Cc1ncsc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279589281 432986892 /nfs/dbraw/zinc/98/68/92/432986892.db2.gz CJDXNNBBSLCAII-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000332246942 432989870 /nfs/dbraw/zinc/98/98/70/432989870.db2.gz BFAKFEJURMZRRC-QGZVFWFLSA-N 2 1 317.477 3.333 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000290120826 432995979 /nfs/dbraw/zinc/99/59/79/432995979.db2.gz YPYKLTDVJXPBHE-AWEZNQCLSA-N 2 1 305.853 3.178 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1-c1ccnn1C ZINC000349420050 432958009 /nfs/dbraw/zinc/95/80/09/432958009.db2.gz QDLFTSCZWVEOSM-UHFFFAOYSA-N 2 1 314.477 3.169 20 0 DGADMP CC[N@@H+](Cc1cnn2ccccc12)Cc1ccc(C[NH+](C)C)cc1 ZINC000289448672 432961367 /nfs/dbraw/zinc/96/13/67/432961367.db2.gz MXJPDFJPPLROPX-UHFFFAOYSA-N 2 1 322.456 3.418 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000290169593 433004988 /nfs/dbraw/zinc/00/49/88/433004988.db2.gz MREBTMRTBDMTIC-LIRRHRJNSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@@H](C)n2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000297883305 433027072 /nfs/dbraw/zinc/02/70/72/433027072.db2.gz VCWQLPOCYMUSQR-JFIYKMOQSA-N 2 1 312.461 3.389 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000349937372 433037861 /nfs/dbraw/zinc/03/78/61/433037861.db2.gz SKZSVPHREHFGKF-SCOBNMCVSA-N 2 1 305.372 3.409 20 0 DGADMP Cc1cccc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000298113448 433052122 /nfs/dbraw/zinc/05/21/22/433052122.db2.gz OLTMKXZEFSXTTC-UHFFFAOYSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000298194416 433053809 /nfs/dbraw/zinc/05/38/09/433053809.db2.gz BZLULEWFIYWFOO-DGCLKSJQSA-N 2 1 317.260 3.101 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000453336682 433099203 /nfs/dbraw/zinc/09/92/03/433099203.db2.gz AMGACNDSTBZZFV-KQRABZDBSA-N 2 1 302.462 3.260 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000453313506 433081096 /nfs/dbraw/zinc/08/10/96/433081096.db2.gz HVAHINKWXZIQGS-DNKIIHMASA-N 2 1 323.278 3.392 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000298287243 433081578 /nfs/dbraw/zinc/08/15/78/433081578.db2.gz HCSQYQYHZITIOE-HXUWFJFHSA-N 2 1 321.424 3.373 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000453313509 433081704 /nfs/dbraw/zinc/08/17/04/433081704.db2.gz HVAHINKWXZIQGS-UOYPKJBKSA-N 2 1 323.278 3.392 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000453313508 433083387 /nfs/dbraw/zinc/08/33/87/433083387.db2.gz HVAHINKWXZIQGS-IHLDYCTFSA-N 2 1 323.278 3.392 20 0 DGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298299581 433084167 /nfs/dbraw/zinc/08/41/67/433084167.db2.gz HMYRDSNJTIYVSX-MRXNPFEDSA-N 2 1 302.462 3.287 20 0 DGADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)[NH+]1C ZINC000354445756 433086901 /nfs/dbraw/zinc/08/69/01/433086901.db2.gz LUDXFUCRAPHOBX-QZTJIDSGSA-N 2 1 317.521 3.169 20 0 DGADMP Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(C2CC2)n1 ZINC000341492898 433088907 /nfs/dbraw/zinc/08/89/07/433088907.db2.gz FINGWFACRLMUMC-HNNXBMFYSA-N 2 1 310.445 3.595 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000290553547 433091648 /nfs/dbraw/zinc/09/16/48/433091648.db2.gz RXGODTGDDSBIFK-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000290553547 433091657 /nfs/dbraw/zinc/09/16/57/433091657.db2.gz RXGODTGDDSBIFK-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1O ZINC000290558512 433098803 /nfs/dbraw/zinc/09/88/03/433098803.db2.gz DLQMXXPGFWRZTP-GJZGRUSLSA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000354517162 433121876 /nfs/dbraw/zinc/12/18/76/433121876.db2.gz WXBGMPXTPBKWTD-PNBKFKSVSA-N 2 1 320.477 3.268 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000354517162 433121886 /nfs/dbraw/zinc/12/18/86/433121886.db2.gz WXBGMPXTPBKWTD-PNBKFKSVSA-N 2 1 320.477 3.268 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365493 433130149 /nfs/dbraw/zinc/13/01/49/433130149.db2.gz KPSMHJPXXIBXBV-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365493 433130157 /nfs/dbraw/zinc/13/01/57/433130157.db2.gz KPSMHJPXXIBXBV-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CCN(CCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298411727 433130418 /nfs/dbraw/zinc/13/04/18/433130418.db2.gz MECOTJBUJYMATK-UHFFFAOYSA-N 2 1 301.478 3.119 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000354535210 433135768 /nfs/dbraw/zinc/13/57/68/433135768.db2.gz BZPPYPIICZDDCC-LJQANCHMSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000354535210 433135776 /nfs/dbraw/zinc/13/57/76/433135776.db2.gz BZPPYPIICZDDCC-LJQANCHMSA-N 2 1 303.494 3.423 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)[C@H]1C ZINC000354535824 433135827 /nfs/dbraw/zinc/13/58/27/433135827.db2.gz CTMCDKQVRDYJDC-FJIDUMEYSA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)[C@H]1C ZINC000354535824 433135836 /nfs/dbraw/zinc/13/58/36/433135836.db2.gz CTMCDKQVRDYJDC-FJIDUMEYSA-N 2 1 324.509 3.064 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000453390170 433142698 /nfs/dbraw/zinc/14/26/98/433142698.db2.gz DAFHWJWQGDSPTR-OAHLLOKOSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388624 433143488 /nfs/dbraw/zinc/14/34/88/433143488.db2.gz BTIHTSJLOVTFHW-YLJYHZDGSA-N 3 1 321.553 3.494 20 0 DGADMP Cn1c(N[C@@H](CCC[NH3+])c2ccccc2)[nH+]c2cccc(F)c21 ZINC000420278224 433144570 /nfs/dbraw/zinc/14/45/70/433144570.db2.gz NWWQXYAXOJMPLS-HNNXBMFYSA-N 2 1 312.392 3.026 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000420295281 433149011 /nfs/dbraw/zinc/14/90/11/433149011.db2.gz CCWRFYHQDHEDRU-KBAYOESNSA-N 2 1 320.502 3.098 20 0 DGADMP CCS[C@H]1CCCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296111 433149147 /nfs/dbraw/zinc/14/91/47/433149147.db2.gz DCMKLUZOKMHAEZ-AEFFLSMTSA-N 2 1 322.518 3.345 20 0 DGADMP COC(=O)c1cc2cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc2o1 ZINC000420292546 433150027 /nfs/dbraw/zinc/15/00/27/433150027.db2.gz POHWDSMEPXLXCB-OAHLLOKOSA-N 2 1 318.417 3.025 20 0 DGADMP COc1ccc([C@H](C)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290583820 433105555 /nfs/dbraw/zinc/10/55/55/433105555.db2.gz UTHWOVZIPPXPAZ-OAHLLOKOSA-N 2 1 301.434 3.326 20 0 DGADMP COc1ccc([C@H](C)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290583820 433105565 /nfs/dbraw/zinc/10/55/65/433105565.db2.gz UTHWOVZIPPXPAZ-OAHLLOKOSA-N 2 1 301.434 3.326 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000280609491 433106010 /nfs/dbraw/zinc/10/60/10/433106010.db2.gz JZIHYNLKQZCSCY-SFHVURJKSA-N 2 1 324.472 3.281 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000280609491 433106023 /nfs/dbraw/zinc/10/60/23/433106023.db2.gz JZIHYNLKQZCSCY-SFHVURJKSA-N 2 1 324.472 3.281 20 0 DGADMP Cc1ccc(CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000420299806 433154062 /nfs/dbraw/zinc/15/40/62/433154062.db2.gz JIICUUJQJDWVGB-UXHICEINSA-N 2 1 316.489 3.018 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350273135 433121013 /nfs/dbraw/zinc/12/10/13/433121013.db2.gz ZITMYOXROZGTFR-SJLPKXTDSA-N 2 1 317.477 3.045 20 0 DGADMP Fc1cccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420300773 433155624 /nfs/dbraw/zinc/15/56/24/433155624.db2.gz KMHKVFXUMMPFNH-VQIMIIECSA-N 2 1 320.452 3.196 20 0 DGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420310589 433156217 /nfs/dbraw/zinc/15/62/17/433156217.db2.gz VFQXKJINRAHISA-NVXWUHKLSA-N 2 1 318.436 3.110 20 0 DGADMP c1csc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420315978 433159623 /nfs/dbraw/zinc/15/96/23/433159623.db2.gz MBCROZPZVADNKY-HZPDHXFCSA-N 2 1 308.491 3.119 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[NH2+]C(C)(C)c2nc(C)cs2)cc1 ZINC000420316935 433159896 /nfs/dbraw/zinc/15/98/96/433159896.db2.gz MOSJLXPCQCNXET-CQSZACIVSA-N 2 1 319.474 3.027 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420315739 433160070 /nfs/dbraw/zinc/16/00/70/433160070.db2.gz LFEDWRHOCTVOOR-CRAIPNDOSA-N 2 1 312.461 3.100 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000453408216 433160590 /nfs/dbraw/zinc/16/05/90/433160590.db2.gz SOTQQGQEQVDXPM-KRWDZBQOSA-N 2 1 316.424 3.102 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000453407619 433163498 /nfs/dbraw/zinc/16/34/98/433163498.db2.gz SEATZSIHZXYPNC-QGZVFWFLSA-N 2 1 318.461 3.373 20 0 DGADMP COc1ncc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC000453408185 433164047 /nfs/dbraw/zinc/16/40/47/433164047.db2.gz SKCMVTNODXGCMW-LBPRGKRZSA-N 2 1 311.857 3.269 20 0 DGADMP Clc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331579 433165820 /nfs/dbraw/zinc/16/58/20/433165820.db2.gz QZHRPYCTUYHVIB-NEPJUHHUSA-N 2 1 314.260 3.210 20 0 DGADMP Clc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331579 433165827 /nfs/dbraw/zinc/16/58/27/433165827.db2.gz QZHRPYCTUYHVIB-NEPJUHHUSA-N 2 1 314.260 3.210 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420324432 433166562 /nfs/dbraw/zinc/16/65/62/433166562.db2.gz VHXRCZYDVIMMLS-KRWDZBQOSA-N 2 1 316.420 3.399 20 0 DGADMP Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)n2C)cc1 ZINC000425331130 433168301 /nfs/dbraw/zinc/16/83/01/433168301.db2.gz WXZQOUJBUOIRLK-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CC(C)CCc1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420344771 433169313 /nfs/dbraw/zinc/16/93/13/433169313.db2.gz UUAPGNXOYMDACT-GASCZTMLSA-N 2 1 307.507 3.163 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453419359 433171785 /nfs/dbraw/zinc/17/17/85/433171785.db2.gz YWKQGPPSGJXHLD-MRXNPFEDSA-N 2 1 306.425 3.286 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453420128 433173249 /nfs/dbraw/zinc/17/32/49/433173249.db2.gz ZFKVVVKJSLSODU-GFCCVEGCSA-N 2 1 310.463 3.060 20 0 DGADMP CCSCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336699782 433178374 /nfs/dbraw/zinc/17/83/74/433178374.db2.gz DHODOPWZNNXGRM-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336699782 433178384 /nfs/dbraw/zinc/17/83/84/433178384.db2.gz DHODOPWZNNXGRM-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336699782 433178390 /nfs/dbraw/zinc/17/83/90/433178390.db2.gz DHODOPWZNNXGRM-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000336703116 433178655 /nfs/dbraw/zinc/17/86/55/433178655.db2.gz KFRAJWDHQPWHOK-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000336703116 433178663 /nfs/dbraw/zinc/17/86/63/433178663.db2.gz KFRAJWDHQPWHOK-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000336703116 433178672 /nfs/dbraw/zinc/17/86/72/433178672.db2.gz KFRAJWDHQPWHOK-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361458920 433181287 /nfs/dbraw/zinc/18/12/87/433181287.db2.gz JFRHVTPVOBBTBR-DZGCQCFKSA-N 2 1 316.367 3.166 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361458920 433181302 /nfs/dbraw/zinc/18/13/02/433181302.db2.gz JFRHVTPVOBBTBR-DZGCQCFKSA-N 2 1 316.367 3.166 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000361457732 433182418 /nfs/dbraw/zinc/18/24/18/433182418.db2.gz VBOUPCHXCVJXKI-XIKSMUEASA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000361457732 433182423 /nfs/dbraw/zinc/18/24/23/433182423.db2.gz VBOUPCHXCVJXKI-XIKSMUEASA-N 2 1 314.473 3.197 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000336716916 433184662 /nfs/dbraw/zinc/18/46/62/433184662.db2.gz QHLZYVQTLKCHIY-INIZCTEOSA-N 2 1 315.486 3.317 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000336716916 433184669 /nfs/dbraw/zinc/18/46/69/433184669.db2.gz QHLZYVQTLKCHIY-INIZCTEOSA-N 2 1 315.486 3.317 20 0 DGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1Br ZINC000420378747 433186030 /nfs/dbraw/zinc/18/60/30/433186030.db2.gz UOODRXDKERNZBL-CYBMUJFWSA-N 2 1 311.267 3.271 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)C1CCCCC1 ZINC000420378108 433186860 /nfs/dbraw/zinc/18/68/60/433186860.db2.gz WSSYBOKCOHLRMW-QGZVFWFLSA-N 2 1 301.409 3.371 20 0 DGADMP C[NH2+]CCC[N@@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000420387227 433192861 /nfs/dbraw/zinc/19/28/61/433192861.db2.gz JUIWSWJKQXMEAP-UHFFFAOYSA-N 2 1 304.356 3.016 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000420400491 433196429 /nfs/dbraw/zinc/19/64/29/433196429.db2.gz INSKGPUONSZBKR-TZMCWYRMSA-N 2 1 320.383 3.367 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c(F)cccc1N1CCCC1)C1CC1 ZINC000453595106 433223302 /nfs/dbraw/zinc/22/33/02/433223302.db2.gz DDRKBMCMPAAQFZ-UHFFFAOYSA-N 2 1 319.468 3.390 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925830 433224472 /nfs/dbraw/zinc/22/44/72/433224472.db2.gz RJZDQLIWJLSPRT-APWZRJJASA-N 2 1 317.477 3.013 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925830 433224485 /nfs/dbraw/zinc/22/44/85/433224485.db2.gz RJZDQLIWJLSPRT-APWZRJJASA-N 2 1 317.477 3.013 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000350619586 433233506 /nfs/dbraw/zinc/23/35/06/433233506.db2.gz RFGPGMVVBKKTSN-CQSZACIVSA-N 2 1 306.450 3.072 20 0 DGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374601235 433235634 /nfs/dbraw/zinc/23/56/34/433235634.db2.gz GZIWVGCLMDKWGG-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374601235 433235643 /nfs/dbraw/zinc/23/56/43/433235643.db2.gz GZIWVGCLMDKWGG-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374771220 433277314 /nfs/dbraw/zinc/27/73/14/433277314.db2.gz KQVDEIBGMOATTI-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cnn(CCCCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000350808116 433290856 /nfs/dbraw/zinc/29/08/56/433290856.db2.gz XNBYQXSJOHFGDL-IBGZPJMESA-N 2 1 318.509 3.026 20 0 DGADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350808116 433290869 /nfs/dbraw/zinc/29/08/69/433290869.db2.gz XNBYQXSJOHFGDL-IBGZPJMESA-N 2 1 318.509 3.026 20 0 DGADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350808116 433290873 /nfs/dbraw/zinc/29/08/73/433290873.db2.gz XNBYQXSJOHFGDL-IBGZPJMESA-N 2 1 318.509 3.026 20 0 DGADMP C(C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000425545375 433293565 /nfs/dbraw/zinc/29/35/65/433293565.db2.gz DEFSPUHIMMCEIG-GOSISDBHSA-N 2 1 306.494 3.144 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000281392312 433297904 /nfs/dbraw/zinc/29/79/04/433297904.db2.gz YAKFWNDSZCVMKD-SQNIBIBYSA-N 2 1 301.478 3.348 20 0 DGADMP CC[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccc(C[NH+](C)C)cc1 ZINC000291658174 433300315 /nfs/dbraw/zinc/30/03/15/433300315.db2.gz VDPGQXNRSBNJAP-UHFFFAOYSA-N 2 1 323.444 3.042 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420902705 433303539 /nfs/dbraw/zinc/30/35/39/433303539.db2.gz MYYMLIVYIZLPKI-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420902705 433303549 /nfs/dbraw/zinc/30/35/49/433303549.db2.gz MYYMLIVYIZLPKI-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420912853 433309783 /nfs/dbraw/zinc/30/97/83/433309783.db2.gz ACQZBFWQXMEGOG-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1CN1CCOCC1 ZINC000420916727 433310840 /nfs/dbraw/zinc/31/08/40/433310840.db2.gz PGJGFWLVVHIQGH-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916727 433310848 /nfs/dbraw/zinc/31/08/48/433310848.db2.gz PGJGFWLVVHIQGH-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916727 433310855 /nfs/dbraw/zinc/31/08/55/433310855.db2.gz PGJGFWLVVHIQGH-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354843726 433312332 /nfs/dbraw/zinc/31/23/32/433312332.db2.gz HGRPTHYEPJFFPN-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354843726 433312340 /nfs/dbraw/zinc/31/23/40/433312340.db2.gz HGRPTHYEPJFFPN-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354843726 433312348 /nfs/dbraw/zinc/31/23/48/433312348.db2.gz HGRPTHYEPJFFPN-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414063803 433368140 /nfs/dbraw/zinc/36/81/40/433368140.db2.gz MVTXGELBGTXISI-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414063803 433368147 /nfs/dbraw/zinc/36/81/47/433368147.db2.gz MVTXGELBGTXISI-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP COC1(CC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000339060364 433333913 /nfs/dbraw/zinc/33/39/13/433333913.db2.gz QOWMWGHXRNDHFR-UHFFFAOYSA-N 2 1 317.477 3.189 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361675221 433339163 /nfs/dbraw/zinc/33/91/63/433339163.db2.gz WBHGMNOOFGWYOY-KURKYZTESA-N 2 1 314.473 3.332 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000341893981 433341122 /nfs/dbraw/zinc/34/11/22/433341122.db2.gz ZNJHVNHJXHUEBD-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339071050 433342308 /nfs/dbraw/zinc/34/23/08/433342308.db2.gz PPOORZFWTOJIKL-LMCOJAPRSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339071050 433342332 /nfs/dbraw/zinc/34/23/32/433342332.db2.gz PPOORZFWTOJIKL-LMCOJAPRSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339071050 433342340 /nfs/dbraw/zinc/34/23/40/433342340.db2.gz PPOORZFWTOJIKL-LMCOJAPRSA-N 2 1 313.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339067788 433342886 /nfs/dbraw/zinc/34/28/86/433342886.db2.gz IONHKXCWWSSCFY-LMMKCTJWSA-N 2 1 302.462 3.086 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339075022 433343223 /nfs/dbraw/zinc/34/32/23/433343223.db2.gz PCBKCOFWKGUVIS-XEZPLFJOSA-N 2 1 306.837 3.380 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339075022 433343224 /nfs/dbraw/zinc/34/32/24/433343224.db2.gz PCBKCOFWKGUVIS-XEZPLFJOSA-N 2 1 306.837 3.380 20 0 DGADMP Brc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067582 433343398 /nfs/dbraw/zinc/34/33/98/433343398.db2.gz MPSINSRSFGOLJL-GJZGRUSLSA-N 2 1 323.278 3.208 20 0 DGADMP Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc(C)[nH+]1 ZINC000301070036 433400352 /nfs/dbraw/zinc/40/03/52/433400352.db2.gz BKJPKRHMUJMDJQ-UHFFFAOYSA-N 2 1 316.474 3.479 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CC1(C)C ZINC000414113172 433403317 /nfs/dbraw/zinc/40/33/17/433403317.db2.gz RRBVGLFPGLUNSH-QRVBRYPASA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC[N@H+]1C ZINC000281933252 433432762 /nfs/dbraw/zinc/43/27/62/433432762.db2.gz BCFGVKIUZOORQJ-CJNGLKHVSA-N 2 1 303.425 3.312 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000414844860 289939940 /nfs/dbraw/zinc/93/99/40/289939940.db2.gz DDKQFCMUAVOBMN-DFEOGRTESA-N 3 1 307.526 3.007 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000414177087 433439810 /nfs/dbraw/zinc/43/98/10/433439810.db2.gz JNFUSXVERDUCPJ-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414186181 433450112 /nfs/dbraw/zinc/45/01/12/433450112.db2.gz PDFCWPIPFUSFTJ-JKSUJKDBSA-N 2 1 320.477 3.395 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339238119 433460024 /nfs/dbraw/zinc/46/00/24/433460024.db2.gz KGYGXKDARMJBME-OAHLLOKOSA-N 2 1 324.428 3.196 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]21 ZINC000342095286 433465354 /nfs/dbraw/zinc/46/53/54/433465354.db2.gz FTLYWDJIIXDOGD-USXIJHARSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3ccc(F)cc3)cc2)CCC1 ZINC000342097412 433465838 /nfs/dbraw/zinc/46/58/38/433465838.db2.gz HKNIKNLOHBKQJP-UHFFFAOYSA-N 2 1 314.404 3.376 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@H]21 ZINC000342096401 433466059 /nfs/dbraw/zinc/46/60/59/433466059.db2.gz ZOSBTZPSBZACJB-APHBMKBZSA-N 2 1 310.894 3.491 20 0 DGADMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000351471148 433517450 /nfs/dbraw/zinc/51/74/50/433517450.db2.gz HYIMBLMSXOZCJJ-IBGZPJMESA-N 2 1 317.521 3.315 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]12 ZINC000351477328 433522109 /nfs/dbraw/zinc/52/21/09/433522109.db2.gz NJBKKPXBBYIWMN-SESVDKBCSA-N 2 1 322.452 3.435 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]12 ZINC000351488284 433528013 /nfs/dbraw/zinc/52/80/13/433528013.db2.gz FCFBMUKAVZGDDH-BMGDILEWSA-N 2 1 309.413 3.043 20 0 DGADMP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn1 ZINC000414312418 433535462 /nfs/dbraw/zinc/53/54/62/433535462.db2.gz AEDKZERXSPTZFC-UHFFFAOYSA-N 2 1 324.472 3.451 20 0 DGADMP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355206001 433537092 /nfs/dbraw/zinc/53/70/92/433537092.db2.gz VEHOQJAMDFGKMM-QGZVFWFLSA-N 2 1 320.440 3.175 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)c1 ZINC000282123525 433504069 /nfs/dbraw/zinc/50/40/69/433504069.db2.gz JQGVWAKVGQCHSO-HNNXBMFYSA-N 2 1 300.450 3.031 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)c1 ZINC000282123525 433504074 /nfs/dbraw/zinc/50/40/74/433504074.db2.gz JQGVWAKVGQCHSO-HNNXBMFYSA-N 2 1 300.450 3.031 20 0 DGADMP CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414275336 433507279 /nfs/dbraw/zinc/50/72/79/433507279.db2.gz WHSQXLSDVXTKCZ-BHIYHBOVSA-N 2 1 304.478 3.302 20 0 DGADMP CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414275336 433507287 /nfs/dbraw/zinc/50/72/87/433507287.db2.gz WHSQXLSDVXTKCZ-BHIYHBOVSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1nn(C(C)C)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375618664 433508801 /nfs/dbraw/zinc/50/88/01/433508801.db2.gz AFVVQDQIRPERRA-APWZRJJASA-N 2 1 316.493 3.221 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351578157 433593607 /nfs/dbraw/zinc/59/36/07/433593607.db2.gz GXDCOQHDWMTTRQ-PKOBYXMFSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351578157 433593618 /nfs/dbraw/zinc/59/36/18/433593618.db2.gz GXDCOQHDWMTTRQ-PKOBYXMFSA-N 2 1 304.478 3.127 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000339408749 433564565 /nfs/dbraw/zinc/56/45/65/433564565.db2.gz VERRNFGKHOPLTD-UHFFFAOYSA-N 2 1 322.396 3.097 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456289631 433571976 /nfs/dbraw/zinc/57/19/76/433571976.db2.gz XMRDMXLUCRWPBA-QZTJIDSGSA-N 2 1 315.461 3.048 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456289632 433572796 /nfs/dbraw/zinc/57/27/96/433572796.db2.gz XMRDMXLUCRWPBA-ROUUACIJSA-N 2 1 315.461 3.048 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OCc1ccccc1 ZINC000339428315 433574914 /nfs/dbraw/zinc/57/49/14/433574914.db2.gz IJPIZIYTVHGUOQ-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OCc1ccccc1 ZINC000339428315 433574920 /nfs/dbraw/zinc/57/49/20/433574920.db2.gz IJPIZIYTVHGUOQ-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccs1 ZINC000351573684 433588630 /nfs/dbraw/zinc/58/86/30/433588630.db2.gz LBDOOWOHNFJHTO-WBVHZDCISA-N 2 1 310.507 3.270 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccs1 ZINC000351573684 433588645 /nfs/dbraw/zinc/58/86/45/433588645.db2.gz LBDOOWOHNFJHTO-WBVHZDCISA-N 2 1 310.507 3.270 20 0 DGADMP CC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282268790 433547943 /nfs/dbraw/zinc/54/79/43/433547943.db2.gz ALFGLVWEECUGFR-ZWKOTPCHSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282268790 433547950 /nfs/dbraw/zinc/54/79/50/433547950.db2.gz ALFGLVWEECUGFR-ZWKOTPCHSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000282854351 433633872 /nfs/dbraw/zinc/63/38/72/433633872.db2.gz XRJCDSWCJBDZSE-OAHLLOKOSA-N 2 1 320.234 3.231 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000282412062 433597694 /nfs/dbraw/zinc/59/76/94/433597694.db2.gz GAWSYYAVUHDCIB-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000282412062 433597703 /nfs/dbraw/zinc/59/77/03/433597703.db2.gz GAWSYYAVUHDCIB-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CSC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000356521393 433600675 /nfs/dbraw/zinc/60/06/75/433600675.db2.gz HFRCEZRQIXYZEX-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000356521393 433600687 /nfs/dbraw/zinc/60/06/87/433600687.db2.gz HFRCEZRQIXYZEX-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000356521393 433600697 /nfs/dbraw/zinc/60/06/97/433600697.db2.gz HFRCEZRQIXYZEX-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000356531878 433605776 /nfs/dbraw/zinc/60/57/76/433605776.db2.gz SEAWSLWZDRUURG-PMACEKPBSA-N 2 1 316.489 3.305 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000293000404 433610644 /nfs/dbraw/zinc/61/06/44/433610644.db2.gz IZRSWIPTAHHQJT-KRWDZBQOSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000293000404 433610647 /nfs/dbraw/zinc/61/06/47/433610647.db2.gz IZRSWIPTAHHQJT-KRWDZBQOSA-N 2 1 319.836 3.388 20 0 DGADMP CCc1ncc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441859 433616672 /nfs/dbraw/zinc/61/66/72/433616672.db2.gz ZPGVCCOYXMBEBN-VQIMIIECSA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414441859 433616683 /nfs/dbraw/zinc/61/66/83/433616683.db2.gz ZPGVCCOYXMBEBN-VQIMIIECSA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441859 433616694 /nfs/dbraw/zinc/61/66/94/433616694.db2.gz ZPGVCCOYXMBEBN-VQIMIIECSA-N 2 1 324.472 3.039 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000362292387 433625095 /nfs/dbraw/zinc/62/50/95/433625095.db2.gz ARBPLPKOOXIDKR-CRAIPNDOSA-N 2 1 304.482 3.036 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000376102641 433667844 /nfs/dbraw/zinc/66/78/44/433667844.db2.gz IZUDGFXXVCUGCR-RLLQIKCJSA-N 2 1 316.489 3.412 20 0 DGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1F ZINC000342420379 433680801 /nfs/dbraw/zinc/68/08/01/433680801.db2.gz KUQJETQHZNLQJR-CQSZACIVSA-N 2 1 317.408 3.012 20 0 DGADMP COCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362393872 433686244 /nfs/dbraw/zinc/68/62/44/433686244.db2.gz ANVPMOUZYZFBLU-GOSISDBHSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028680 433687093 /nfs/dbraw/zinc/68/70/93/433687093.db2.gz MJGDLEAIJZJRAR-LSDHHAIUSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028680 433687103 /nfs/dbraw/zinc/68/71/03/433687103.db2.gz MJGDLEAIJZJRAR-LSDHHAIUSA-N 2 1 308.416 3.486 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366956697 293008163 /nfs/dbraw/zinc/00/81/63/293008163.db2.gz VUHGYCFMUFZOMN-UHFFFAOYSA-N 2 1 304.482 3.080 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cnccn2)CC1 ZINC000367367783 293062113 /nfs/dbraw/zinc/06/21/13/293062113.db2.gz NFFAIOUYWPCRAC-UHFFFAOYSA-N 2 1 324.472 3.052 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000376255648 433701690 /nfs/dbraw/zinc/70/16/90/433701690.db2.gz XYTCADQUWKSACG-UURKPOQGSA-N 2 1 306.494 3.162 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677165 293185244 /nfs/dbraw/zinc/18/52/44/293185244.db2.gz SLBYXEIAXGLIIX-NUEKZKHPSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677165 293185245 /nfs/dbraw/zinc/18/52/45/293185245.db2.gz SLBYXEIAXGLIIX-NUEKZKHPSA-N 2 1 305.441 3.169 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414743091 293189189 /nfs/dbraw/zinc/18/91/89/293189189.db2.gz HBFOPXJPKCZWDY-JKIFEVAISA-N 2 1 310.869 3.347 20 0 DGADMP CCC(CC)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+](C)C ZINC000371579577 293213354 /nfs/dbraw/zinc/21/33/54/293213354.db2.gz AARKFKDBGQDSOJ-MRXNPFEDSA-N 2 1 324.538 3.068 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529116 293286960 /nfs/dbraw/zinc/28/69/60/293286960.db2.gz LMXDWXFBFLPYMR-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529116 293286961 /nfs/dbraw/zinc/28/69/61/293286961.db2.gz LMXDWXFBFLPYMR-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373903123 293329623 /nfs/dbraw/zinc/32/96/23/293329623.db2.gz IXRKJZFJBMOAMK-FUHWJXTLSA-N 2 1 304.482 3.048 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1ccccc1Cl ZINC000374430363 293399792 /nfs/dbraw/zinc/39/97/92/293399792.db2.gz SHQWTKDBUQUMPR-NJAFHUGGSA-N 2 1 322.880 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccccc1Cl ZINC000374430363 293399793 /nfs/dbraw/zinc/39/97/93/293399793.db2.gz SHQWTKDBUQUMPR-NJAFHUGGSA-N 2 1 322.880 3.066 20 0 DGADMP Cc1cccc(CC[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000449060396 433715751 /nfs/dbraw/zinc/71/57/51/433715751.db2.gz FMGLCPNTWXPFHL-UHFFFAOYSA-N 2 1 324.468 3.160 20 0 DGADMP COCc1ccc([C@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)o1 ZINC000342480372 433717928 /nfs/dbraw/zinc/71/79/28/433717928.db2.gz UCLWEJFWXKQEAV-NVXWUHKLSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH+]2C)o1 ZINC000342480372 433717938 /nfs/dbraw/zinc/71/79/38/433717938.db2.gz UCLWEJFWXKQEAV-NVXWUHKLSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH+]2C)o1 ZINC000342480372 433717944 /nfs/dbraw/zinc/71/79/44/433717944.db2.gz UCLWEJFWXKQEAV-NVXWUHKLSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000342480372 433717951 /nfs/dbraw/zinc/71/79/51/433717951.db2.gz UCLWEJFWXKQEAV-NVXWUHKLSA-N 2 1 306.450 3.437 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000449064005 433720108 /nfs/dbraw/zinc/72/01/08/433720108.db2.gz SHOYGCCTSSBQPG-IBGZPJMESA-N 2 1 314.473 3.331 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000342510676 433731320 /nfs/dbraw/zinc/73/13/20/433731320.db2.gz VGGGGRPASHWLGA-WBVHZDCISA-N 2 1 304.482 3.115 20 0 DGADMP COc1ccc([C@H]([NH2+]CC(C)(C)C[NH+](C)C)C2CC2)c(F)c1 ZINC000421798720 433736333 /nfs/dbraw/zinc/73/63/33/433736333.db2.gz CBRQEDNFNYDNTQ-QGZVFWFLSA-N 2 1 308.441 3.463 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421816788 433740505 /nfs/dbraw/zinc/74/05/05/433740505.db2.gz QVEJDZIYKJEVKA-AEFFLSMTSA-N 2 1 301.478 3.183 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000351860697 433760257 /nfs/dbraw/zinc/76/02/57/433760257.db2.gz HZRKTTLENIKPGQ-OLZOCXBDSA-N 2 1 316.367 3.143 20 0 DGADMP COc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)c(F)c1 ZINC000421839220 433762012 /nfs/dbraw/zinc/76/20/12/433762012.db2.gz WYTZSBABFSNMOQ-GOSISDBHSA-N 2 1 306.425 3.383 20 0 DGADMP C[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000414636149 433762164 /nfs/dbraw/zinc/76/21/64/433762164.db2.gz AGGHQAWMMUDYTO-CQSZACIVSA-N 2 1 322.412 3.388 20 0 DGADMP C[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000414636149 433762176 /nfs/dbraw/zinc/76/21/76/433762176.db2.gz AGGHQAWMMUDYTO-CQSZACIVSA-N 2 1 322.412 3.388 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774047 433824217 /nfs/dbraw/zinc/82/42/17/433824217.db2.gz FDAHNNJQDSNEBR-MSOLQXFVSA-N 2 1 302.462 3.295 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414656583 433775746 /nfs/dbraw/zinc/77/57/46/433775746.db2.gz NLLPUIUFEDBCFC-FQEVSTJZSA-N 2 1 324.468 3.479 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000421856657 433780768 /nfs/dbraw/zinc/78/07/68/433780768.db2.gz NUKWQIZSVPUSKW-QZTJIDSGSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000421856657 433780776 /nfs/dbraw/zinc/78/07/76/433780776.db2.gz NUKWQIZSVPUSKW-QZTJIDSGSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000430035037 433785063 /nfs/dbraw/zinc/78/50/63/433785063.db2.gz LIZSOQZRNSMWGH-CVEARBPZSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000430035037 433785069 /nfs/dbraw/zinc/78/50/69/433785069.db2.gz LIZSOQZRNSMWGH-CVEARBPZSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414682080 433788783 /nfs/dbraw/zinc/78/87/83/433788783.db2.gz XQERYVPZLPMQNX-JSGCOSHPSA-N 2 1 316.367 3.405 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414678949 433789104 /nfs/dbraw/zinc/78/91/04/433789104.db2.gz YQDHJXNSMCXDNN-XTBFLFJDSA-N 2 1 312.379 3.478 20 0 DGADMP Cc1cc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877741 433791977 /nfs/dbraw/zinc/79/19/77/433791977.db2.gz CBZKEZLHILRHEM-SJLPKXTDSA-N 2 1 313.445 3.198 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Br)cs1 ZINC000293606722 433800189 /nfs/dbraw/zinc/80/01/89/433800189.db2.gz IZVQJAFAUQVDAN-VHSXEESVSA-N 2 1 305.285 3.359 20 0 DGADMP CC(C)C1CCC([NH+]2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000414701520 433800497 /nfs/dbraw/zinc/80/04/97/433800497.db2.gz HOZZXENHZHVRLO-ZMTPEHOPSA-N 2 1 321.553 3.207 20 0 DGADMP CCN(CC[NH2+]C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414705736 433800697 /nfs/dbraw/zinc/80/06/97/433800697.db2.gz LWFRCDZFMRUQIN-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CCOC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000414710371 433804276 /nfs/dbraw/zinc/80/42/76/433804276.db2.gz QABQRJIORVWSBI-GVDBMIGSSA-N 2 1 318.461 3.001 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414774757 433825012 /nfs/dbraw/zinc/82/50/12/433825012.db2.gz FWNYMXTYCCSKBW-JKSUJKDBSA-N 2 1 324.415 3.152 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2coc3ccccc23)CCCO1 ZINC000432344845 433825240 /nfs/dbraw/zinc/82/52/40/433825240.db2.gz FXLOHCOLLDGXFV-OAHLLOKOSA-N 2 1 302.418 3.023 20 0 DGADMP C[N@@H+](CCC[NH3+])CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000414738687 433810395 /nfs/dbraw/zinc/81/03/95/433810395.db2.gz FATMGTWDOYKCQR-UHFFFAOYSA-N 2 1 300.450 3.070 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)CC[NH2+]1 ZINC000414748488 433816863 /nfs/dbraw/zinc/81/68/63/433816863.db2.gz WOXDZPBNBPTPRA-BASYENTBSA-N 2 1 322.880 3.490 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(C)c1OC(F)F ZINC000414766282 433820074 /nfs/dbraw/zinc/82/00/74/433820074.db2.gz HMNBGTJJRGGTKD-IYBDPMFKSA-N 2 1 324.415 3.336 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414763787 433821008 /nfs/dbraw/zinc/82/10/08/433821008.db2.gz XYYSUUDXQHQHOX-OHDICMOHSA-N 2 1 320.452 3.366 20 0 DGADMP Cc1nc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2s1 ZINC000414772432 433827112 /nfs/dbraw/zinc/82/71/12/433827112.db2.gz UKOISODCSFQQOY-GASCZTMLSA-N 2 1 301.459 3.036 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432430620 433827907 /nfs/dbraw/zinc/82/79/07/433827907.db2.gz TUVLVARDECFUHY-NFOMZHRRSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432430620 433827915 /nfs/dbraw/zinc/82/79/15/433827915.db2.gz TUVLVARDECFUHY-NFOMZHRRSA-N 2 1 322.415 3.198 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OCCC(C)C ZINC000414780462 433828003 /nfs/dbraw/zinc/82/80/03/433828003.db2.gz TXZWKOWSZDDVSD-UHFFFAOYSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OCCC(C)C ZINC000414780462 433828010 /nfs/dbraw/zinc/82/80/10/433828010.db2.gz TXZWKOWSZDDVSD-UHFFFAOYSA-N 2 1 306.450 3.042 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414777332 433829540 /nfs/dbraw/zinc/82/95/40/433829540.db2.gz IBMNXOIPWMGXJX-OAHLLOKOSA-N 2 1 322.880 3.144 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414779998 433830965 /nfs/dbraw/zinc/83/09/65/433830965.db2.gz KZVKLJAPVKMMDA-ZWKOTPCHSA-N 2 1 302.462 3.167 20 0 DGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414783200 433833009 /nfs/dbraw/zinc/83/30/09/433833009.db2.gz POBMBFMLESDVND-UONOGXRCSA-N 2 1 307.507 3.262 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788482 433834213 /nfs/dbraw/zinc/83/42/13/433834213.db2.gz WOGWOYLVIGQDDZ-IAGOWNOFSA-N 2 1 318.509 3.076 20 0 DGADMP Clc1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000414786263 433834301 /nfs/dbraw/zinc/83/43/01/433834301.db2.gz UKEBSOPMAYUQDU-CABCVRRESA-N 2 1 320.864 3.096 20 0 DGADMP CCCC1CCC(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000414783696 433835831 /nfs/dbraw/zinc/83/58/31/433835831.db2.gz QJVWJVSJMIKBER-DAWZGUTISA-N 2 1 308.510 3.280 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414786825 433836634 /nfs/dbraw/zinc/83/66/34/433836634.db2.gz UYHNIYVXTZLAGY-LSDHHAIUSA-N 2 1 314.429 3.263 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cc2)cn1 ZINC000293720696 433840729 /nfs/dbraw/zinc/84/07/29/433840729.db2.gz TXJQNFJFMWVIGF-IBGZPJMESA-N 2 1 323.440 3.263 20 0 DGADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000293728723 433844618 /nfs/dbraw/zinc/84/46/18/433844618.db2.gz OFFHOQQXRRTWQO-HAGHYFMRSA-N 2 1 314.473 3.197 20 0 DGADMP Cc1nccn1CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000362754586 433846695 /nfs/dbraw/zinc/84/66/95/433846695.db2.gz YBWAKGGZVKWFHM-IEBWSBKVSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754586 433846702 /nfs/dbraw/zinc/84/67/02/433846702.db2.gz YBWAKGGZVKWFHM-IEBWSBKVSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754586 433846709 /nfs/dbraw/zinc/84/67/09/433846709.db2.gz YBWAKGGZVKWFHM-IEBWSBKVSA-N 2 1 318.509 3.168 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414814076 433854148 /nfs/dbraw/zinc/85/41/48/433854148.db2.gz YXYWLPWCTOXPPP-RISCZKNCSA-N 2 1 307.488 3.479 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCn2ccnc2C)CC1)CC1CC1 ZINC000357088387 433856736 /nfs/dbraw/zinc/85/67/36/433856736.db2.gz SKLJTFMCJMZLCS-UHFFFAOYSA-N 2 1 318.509 3.026 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414831527 433868051 /nfs/dbraw/zinc/86/80/51/433868051.db2.gz CJCSVSYNDPOOML-IUODEOHRSA-N 2 1 311.857 3.020 20 0 DGADMP C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833366 433868208 /nfs/dbraw/zinc/86/82/08/433868208.db2.gz ANHHPGMCYYHNQY-PKOBYXMFSA-N 2 1 315.505 3.291 20 0 DGADMP Clc1cccc(N2CCCC2)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414838662 433871377 /nfs/dbraw/zinc/87/13/77/433871377.db2.gz XCRACBZJIBMGJM-AWEZNQCLSA-N 2 1 307.869 3.029 20 0 DGADMP COc1ncc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1Cl ZINC000284267987 433871654 /nfs/dbraw/zinc/87/16/54/433871654.db2.gz JFRKWERZWYYHIV-LBPRGKRZSA-N 2 1 322.840 3.380 20 0 DGADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OCCC(C)C ZINC000414885664 433900898 /nfs/dbraw/zinc/90/08/98/433900898.db2.gz PCYZHPBKCIRENN-UHFFFAOYSA-N 2 1 306.450 3.091 20 0 DGADMP CCCOc1c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cccc1OCC ZINC000414896486 433903417 /nfs/dbraw/zinc/90/34/17/433903417.db2.gz CBHFNBIESYWSSU-IBGZPJMESA-N 2 1 320.477 3.353 20 0 DGADMP [NH3+][C@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C1CC1 ZINC000414894161 433903553 /nfs/dbraw/zinc/90/35/53/433903553.db2.gz SFYQNUQSEOEYRN-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP Cc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(OC(F)F)cc1C ZINC000414895988 433904895 /nfs/dbraw/zinc/90/48/95/433904895.db2.gz AHTAVCZBARBHNP-QGZVFWFLSA-N 2 1 312.404 3.384 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090649 433907299 /nfs/dbraw/zinc/90/72/99/433907299.db2.gz AZCVGFRDJIHOCY-PKOBYXMFSA-N 2 1 316.489 3.135 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090649 433907301 /nfs/dbraw/zinc/90/73/01/433907301.db2.gz AZCVGFRDJIHOCY-PKOBYXMFSA-N 2 1 316.489 3.135 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414900250 433910034 /nfs/dbraw/zinc/91/00/34/433910034.db2.gz IDGNUWJWDSLOJX-UHFFFAOYSA-N 3 1 317.521 3.124 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414900250 433910041 /nfs/dbraw/zinc/91/00/41/433910041.db2.gz IDGNUWJWDSLOJX-UHFFFAOYSA-N 2 1 317.521 3.124 20 0 DGADMP CSC1(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000377545796 433910884 /nfs/dbraw/zinc/91/08/84/433910884.db2.gz YSJDLMBZPKCAHA-UHFFFAOYSA-N 2 1 304.503 3.478 20 0 DGADMP CSC1(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000377545796 433910893 /nfs/dbraw/zinc/91/08/93/433910893.db2.gz YSJDLMBZPKCAHA-UHFFFAOYSA-N 2 1 304.503 3.478 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000414923493 433917445 /nfs/dbraw/zinc/91/74/45/433917445.db2.gz FKHCYBFHLLAFQT-KBXCAEBGSA-N 2 1 320.477 3.003 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)CC[NH2+]1 ZINC000414941004 433926241 /nfs/dbraw/zinc/92/62/41/433926241.db2.gz CHRBCRJLFGQQTP-SFYZADRCSA-N 2 1 323.687 3.394 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2ccccc2)cc1F ZINC000303258255 433928499 /nfs/dbraw/zinc/92/84/99/433928499.db2.gz KOXFXELAAFYLCZ-UHFFFAOYSA-N 2 1 323.375 3.456 20 0 DGADMP CCCOc1c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cccc1OCC ZINC000414944521 433930535 /nfs/dbraw/zinc/93/05/35/433930535.db2.gz GYCZXNLQGSDKRC-GDBMZVCRSA-N 2 1 306.450 3.104 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414955240 433934313 /nfs/dbraw/zinc/93/43/13/433934313.db2.gz OBLYZUYENRFESS-GZBFAFLISA-N 2 1 323.868 3.096 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)o2)cc1 ZINC000422634191 433934484 /nfs/dbraw/zinc/93/44/84/433934484.db2.gz JMAABBFKBZPGDG-VYDXJSESSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)o2)cc1 ZINC000422634191 433934492 /nfs/dbraw/zinc/93/44/92/433934492.db2.gz JMAABBFKBZPGDG-VYDXJSESSA-N 2 1 313.445 3.455 20 0 DGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OC(F)F ZINC000414844544 433880059 /nfs/dbraw/zinc/88/00/59/433880059.db2.gz PTGVOGZFAXBWTO-UHFFFAOYSA-N 2 1 314.376 3.048 20 0 DGADMP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414854307 433882457 /nfs/dbraw/zinc/88/24/57/433882457.db2.gz UTWNCESFYYCRNT-KRWDZBQOSA-N 2 1 323.912 3.267 20 0 DGADMP FC(F)(F)c1cccc(CCCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414860327 433892979 /nfs/dbraw/zinc/89/29/79/433892979.db2.gz CLTFDCFSPNJLDF-HNNXBMFYSA-N 2 1 300.368 3.370 20 0 DGADMP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422704837 433941688 /nfs/dbraw/zinc/94/16/88/433941688.db2.gz QJMVMNWZFULHCY-SWLSCSKDSA-N 2 1 312.379 3.467 20 0 DGADMP CN(CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000422715101 433944143 /nfs/dbraw/zinc/94/41/43/433944143.db2.gz LWYDTCRYBURSPY-ROUUACIJSA-N 2 1 313.420 3.386 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709934 433944223 /nfs/dbraw/zinc/94/42/23/433944223.db2.gz ZXYAYFSJDFODBY-DOMZBBRYSA-N 2 1 312.379 3.325 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422718064 433947535 /nfs/dbraw/zinc/94/75/35/433947535.db2.gz LAWPDJFCXUCHET-JWTNVVGKSA-N 2 1 315.461 3.044 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414976922 433948694 /nfs/dbraw/zinc/94/86/94/433948694.db2.gz QSPGPBBFOUDRQR-ZDUSSCGKSA-N 2 1 304.331 3.322 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422739489 433960512 /nfs/dbraw/zinc/96/05/12/433960512.db2.gz LMDLIEKKBLVOPV-VQTJNVASSA-N 2 1 309.457 3.373 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422739489 433960525 /nfs/dbraw/zinc/96/05/25/433960525.db2.gz LMDLIEKKBLVOPV-VQTJNVASSA-N 3 1 309.457 3.373 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422739489 433960535 /nfs/dbraw/zinc/96/05/35/433960535.db2.gz LMDLIEKKBLVOPV-VQTJNVASSA-N 3 1 309.457 3.373 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422739494 433962757 /nfs/dbraw/zinc/96/27/57/433962757.db2.gz LMDWTHZYMQZJNW-YZGWKJHDSA-N 2 1 315.505 3.190 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422733047 433963255 /nfs/dbraw/zinc/96/32/55/433963255.db2.gz AQKXRLINKDKLIG-FCGDIQPGSA-N 2 1 307.526 3.151 20 0 DGADMP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422733047 433963262 /nfs/dbraw/zinc/96/32/62/433963262.db2.gz AQKXRLINKDKLIG-FCGDIQPGSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415005287 433968751 /nfs/dbraw/zinc/96/87/51/433968751.db2.gz RJIZZBKGZYYQEE-YPMHNXCESA-N 2 1 302.796 3.105 20 0 DGADMP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422746314 433970387 /nfs/dbraw/zinc/97/03/87/433970387.db2.gz NSKHNOKKFAOZAR-DOMZBBRYSA-N 2 1 323.278 3.211 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C)c1 ZINC000285499932 433972593 /nfs/dbraw/zinc/97/25/93/433972593.db2.gz ADLUQHPLSRNQNU-RBUKOAKNSA-N 2 1 304.478 3.273 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000415086941 433973447 /nfs/dbraw/zinc/97/34/47/433973447.db2.gz SHVTVEMCEQMMLL-IAGOWNOFSA-N 2 1 321.534 3.253 20 0 DGADMP C[C@H]1SCC[N@@H+](C/C=C\C[NH+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000340193678 433976108 /nfs/dbraw/zinc/97/61/08/433976108.db2.gz CQVFPTSTLVOZKP-CFONPQTNSA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C\C[N@@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000340193678 433976120 /nfs/dbraw/zinc/97/61/20/433976120.db2.gz CQVFPTSTLVOZKP-CFONPQTNSA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C\C[N@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000340193678 433976133 /nfs/dbraw/zinc/97/61/33/433976133.db2.gz CQVFPTSTLVOZKP-CFONPQTNSA-N 2 1 314.564 3.194 20 0 DGADMP [NH3+]CCC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000303983879 433976594 /nfs/dbraw/zinc/97/65/94/433976594.db2.gz CXTLKKRWLJHRKD-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)CC[NH2+]2)cc1 ZINC000415090891 433977034 /nfs/dbraw/zinc/97/70/34/433977034.db2.gz PPQALKIQVDTLHP-MTHXSQLBSA-N 2 1 300.446 3.027 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@@H]1C[NH3+] ZINC000415138162 433979343 /nfs/dbraw/zinc/97/93/43/433979343.db2.gz YLPHOCVPHSMETG-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP CC[C@@H]1C[NH+](C/C=C\C[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000340195675 433981042 /nfs/dbraw/zinc/98/10/42/433981042.db2.gz CIJXUUVGQMCWFY-HNXFAEETSA-N 2 1 314.564 3.197 20 0 DGADMP CC[C@@H]1C[N@H+](C/C=C\C[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000340195675 433981057 /nfs/dbraw/zinc/98/10/57/433981057.db2.gz CIJXUUVGQMCWFY-HNXFAEETSA-N 2 1 314.564 3.197 20 0 DGADMP CC[C@@H]1C[N@@H+](C/C=C\C[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000340195675 433981068 /nfs/dbraw/zinc/98/10/68/433981068.db2.gz CIJXUUVGQMCWFY-HNXFAEETSA-N 2 1 314.564 3.197 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285517643 433981822 /nfs/dbraw/zinc/98/18/22/433981822.db2.gz OBKAQHVZEWPVRD-XYPWUTKMSA-N 2 1 308.853 3.276 20 0 DGADMP C[NH+](CCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285517643 433981826 /nfs/dbraw/zinc/98/18/26/433981826.db2.gz OBKAQHVZEWPVRD-XYPWUTKMSA-N 2 1 308.853 3.276 20 0 DGADMP C[NH+](CCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285517643 433981832 /nfs/dbraw/zinc/98/18/32/433981832.db2.gz OBKAQHVZEWPVRD-XYPWUTKMSA-N 2 1 308.853 3.276 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756457 433984583 /nfs/dbraw/zinc/98/45/83/433984583.db2.gz AWAWHUXQLPPEIL-CEXWTWQISA-N 2 1 324.472 3.108 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756457 433984599 /nfs/dbraw/zinc/98/45/99/433984599.db2.gz AWAWHUXQLPPEIL-CEXWTWQISA-N 2 1 324.472 3.108 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000345826496 433938374 /nfs/dbraw/zinc/93/83/74/433938374.db2.gz GOUKDTBMWFZMBH-STQMWFEESA-N 2 1 318.490 3.199 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)cc1Cl ZINC000422708950 433939843 /nfs/dbraw/zinc/93/98/43/433939843.db2.gz CMHZRVRNGHAFAC-DTWKUNHWSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[NH2+]1 ZINC000414961776 433941138 /nfs/dbraw/zinc/94/11/38/433941138.db2.gz ZCNNHDKCGURTHD-NVXWUHKLSA-N 2 1 310.445 3.080 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000422792846 434004598 /nfs/dbraw/zinc/00/45/98/434004598.db2.gz ZRDSRAKOLSMICL-FQBWVUSXSA-N 2 1 314.473 3.273 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCSc2ccccc2)s1 ZINC000352256207 434007976 /nfs/dbraw/zinc/00/79/76/434007976.db2.gz HBKOOLBPSGBLSZ-UHFFFAOYSA-N 2 1 321.515 3.477 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)c2ccccc21 ZINC000422800109 434009072 /nfs/dbraw/zinc/00/90/72/434009072.db2.gz AUGAQLNMXPOLNW-VQTJNVASSA-N 2 1 318.424 3.166 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3ccnc32)C[C@@H]1c1ccccc1 ZINC000340253066 434018053 /nfs/dbraw/zinc/01/80/53/434018053.db2.gz MICLEAIXOWBLLR-CEXWTWQISA-N 2 1 324.472 3.186 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3ccnc32)C[C@@H]1c1ccccc1 ZINC000340253066 434018064 /nfs/dbraw/zinc/01/80/64/434018064.db2.gz MICLEAIXOWBLLR-CEXWTWQISA-N 2 1 324.472 3.186 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806840 434020102 /nfs/dbraw/zinc/02/01/02/434020102.db2.gz NXMYZFFEHMHBSK-BRWVUGGUSA-N 2 1 301.459 3.085 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000422824755 434030601 /nfs/dbraw/zinc/03/06/01/434030601.db2.gz IBKBUAQFLMRGMB-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[NH+]1CCC(C)CC1 ZINC000352291051 434031396 /nfs/dbraw/zinc/03/13/96/434031396.db2.gz WEKYLLYOHYIRBA-MANSERQUSA-N 2 1 320.521 3.290 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1Br)c1c[nH+]ccc1N ZINC000422835531 434041051 /nfs/dbraw/zinc/04/10/51/434041051.db2.gz YRWGGMONKDVHFO-NSHDSACASA-N 2 1 320.234 3.150 20 0 DGADMP CC[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422778879 433993468 /nfs/dbraw/zinc/99/34/68/433993468.db2.gz FGCSQBUBMITGQR-SJORKVTESA-N 2 1 315.486 3.473 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C2CC2)c1 ZINC000340229366 433996226 /nfs/dbraw/zinc/99/62/26/433996226.db2.gz VNSIAYIWVQDUQT-KRWDZBQOSA-N 2 1 315.505 3.242 20 0 DGADMP C[N@H+](C[C@H](O)c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304338418 433999664 /nfs/dbraw/zinc/99/96/64/433999664.db2.gz XTHPWTUFMQNSOI-CTNGQTDRSA-N 2 1 324.468 3.174 20 0 DGADMP C[N@@H+](C[C@H](O)c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304338418 433999673 /nfs/dbraw/zinc/99/96/73/433999673.db2.gz XTHPWTUFMQNSOI-CTNGQTDRSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@H](O)c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000304338418 433999684 /nfs/dbraw/zinc/99/96/84/433999684.db2.gz XTHPWTUFMQNSOI-CTNGQTDRSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@H](O)c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000304338418 433999693 /nfs/dbraw/zinc/99/96/93/433999693.db2.gz XTHPWTUFMQNSOI-CTNGQTDRSA-N 2 1 324.468 3.174 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCOc2ccc(F)cc2)c2ccccc21 ZINC000422788584 434000430 /nfs/dbraw/zinc/00/04/30/434000430.db2.gz VOHKTVPJNTTYBL-ROUUACIJSA-N 2 1 300.377 3.329 20 0 DGADMP C([NH2+][C@H]1CCCC12CCCC2)C1([NH+]2CCCC2)CCOCC1 ZINC000340230924 434000716 /nfs/dbraw/zinc/00/07/16/434000716.db2.gz JVWRGLNYEWEXJN-KRWDZBQOSA-N 2 1 306.494 3.334 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414970356 293898527 /nfs/dbraw/zinc/89/85/27/293898527.db2.gz KJJAAYVJCYOSKI-GOSISDBHSA-N 2 1 324.472 3.327 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874482 434074064 /nfs/dbraw/zinc/07/40/64/434074064.db2.gz DASOZPGIIAUGDR-ZWOKBUDYSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881066 434074804 /nfs/dbraw/zinc/07/48/04/434074804.db2.gz NHFMRTORVVGLFS-WTLGNFPFSA-N 2 1 301.478 3.089 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422881742 434076343 /nfs/dbraw/zinc/07/63/43/434076343.db2.gz OHLQJFFVZRLDGJ-CABCVRRESA-N 2 1 316.367 3.377 20 0 DGADMP [O-]c1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302615 434077270 /nfs/dbraw/zinc/07/72/70/434077270.db2.gz PZKWPTBAVYCLMY-CZUORRHYSA-N 2 1 320.864 3.494 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422880768 434078252 /nfs/dbraw/zinc/07/82/52/434078252.db2.gz MRAROQNLEAIBGU-YESZJQIVSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885784 434082374 /nfs/dbraw/zinc/08/23/74/434082374.db2.gz VJDHCYUBBYXENI-HLIPFELVSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886540 434082573 /nfs/dbraw/zinc/08/25/73/434082573.db2.gz WWCHUCZFSMJBIC-USYVTKNRSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883232 434083905 /nfs/dbraw/zinc/08/39/05/434083905.db2.gz QEGDPABGHHYUIB-CEXWTWQISA-N 3 1 309.542 3.399 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340358881 434083820 /nfs/dbraw/zinc/08/38/20/434083820.db2.gz CALQINFHUPXAQB-ZGXWSNOMSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340358881 434083829 /nfs/dbraw/zinc/08/38/29/434083829.db2.gz CALQINFHUPXAQB-ZGXWSNOMSA-N 2 1 314.473 3.369 20 0 DGADMP CN1CC[C@H]([NH2+][C@@H](CCO)c2ccco2)C[C@@H]1c1ccccc1 ZINC000340362155 434086795 /nfs/dbraw/zinc/08/67/95/434086795.db2.gz NOGAOYZKKOEWNC-OKZBNKHCSA-N 2 1 314.429 3.128 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1)[C@H]1CC[NH2+]C1 ZINC000422890398 434087788 /nfs/dbraw/zinc/08/77/88/434087788.db2.gz RWJUVCNZGQJJTN-KGLIPLIRSA-N 2 1 315.392 3.101 20 0 DGADMP CN1CC[C@H]([NH2+][C@H](CO)c2ccsc2)C[C@H]1c1ccccc1 ZINC000340362349 434089085 /nfs/dbraw/zinc/08/90/85/434089085.db2.gz WBEJIFOHSHSBNQ-KSZLIROESA-N 2 1 316.470 3.207 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000340369632 434093882 /nfs/dbraw/zinc/09/38/82/434093882.db2.gz GSCNQANYYNTOQC-UYAOXDASSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000340369632 434093892 /nfs/dbraw/zinc/09/38/92/434093892.db2.gz GSCNQANYYNTOQC-UYAOXDASSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000340369632 434093899 /nfs/dbraw/zinc/09/38/99/434093899.db2.gz GSCNQANYYNTOQC-UYAOXDASSA-N 2 1 316.489 3.233 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340379504 434097177 /nfs/dbraw/zinc/09/71/77/434097177.db2.gz VNYHCPLUDLRQKW-QRQLOZEOSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309936253 434099750 /nfs/dbraw/zinc/09/97/50/434099750.db2.gz YJLSGARYSOYKDU-GSEOLPGOSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000450243418 434052285 /nfs/dbraw/zinc/05/22/85/434052285.db2.gz RZZYUAVZIGSHKY-KRWDZBQOSA-N 2 1 321.534 3.129 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000450243418 434052294 /nfs/dbraw/zinc/05/22/94/434052294.db2.gz RZZYUAVZIGSHKY-KRWDZBQOSA-N 2 1 321.534 3.129 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422850271 434052800 /nfs/dbraw/zinc/05/28/00/434052800.db2.gz VUPXJIIEHBHDMR-ZWKOTPCHSA-N 2 1 316.424 3.069 20 0 DGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422862100 434059338 /nfs/dbraw/zinc/05/93/38/434059338.db2.gz JUZAOCVJBHEUHE-MSOLQXFVSA-N 2 1 320.477 3.160 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909688 434103350 /nfs/dbraw/zinc/10/33/50/434103350.db2.gz ORYSDQFELCTOKD-NEWSRXKRSA-N 2 1 307.526 3.009 20 0 DGADMP CC[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]1 ZINC000422914850 434105297 /nfs/dbraw/zinc/10/52/97/434105297.db2.gz WGIDDMMAMYNFOL-STQMWFEESA-N 2 1 322.403 3.094 20 0 DGADMP COc1cccc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422918458 434106381 /nfs/dbraw/zinc/10/63/81/434106381.db2.gz IEGVRTIUPSOOHJ-RBUKOAKNSA-N 2 1 312.413 3.199 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1sccc1Br ZINC000310229155 434107401 /nfs/dbraw/zinc/10/74/01/434107401.db2.gz PKHDBDQAWWPLSR-SECBINFHSA-N 2 1 314.252 3.366 20 0 DGADMP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000422919097 434107294 /nfs/dbraw/zinc/10/72/94/434107294.db2.gz JDXGCXSHZRAYGX-MDASCCDHSA-N 2 1 316.420 3.061 20 0 DGADMP c1ccc(N2CCC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000459510680 293980763 /nfs/dbraw/zinc/98/07/63/293980763.db2.gz XEEYUXYXQWUXLC-QGZVFWFLSA-N 2 1 313.489 3.119 20 0 DGADMP COc1cccc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422918459 434109692 /nfs/dbraw/zinc/10/96/92/434109692.db2.gz IEGVRTIUPSOOHJ-RTBURBONSA-N 2 1 312.413 3.199 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)o2)cs1 ZINC000422938173 434121488 /nfs/dbraw/zinc/12/14/88/434121488.db2.gz GTHHCWSXDWSALQ-SMDDNHRTSA-N 2 1 305.447 3.189 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000497853083 294043526 /nfs/dbraw/zinc/04/35/26/294043526.db2.gz ODLQETHSWPZFSK-QGZVFWFLSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909689 434101973 /nfs/dbraw/zinc/10/19/73/434101973.db2.gz ORYSDQFELCTOKD-NZSAHSFTSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340394191 434102044 /nfs/dbraw/zinc/10/20/44/434102044.db2.gz NJIJIOKKTMURNW-NXWXRZEISA-N 2 1 302.462 3.084 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340394191 434102053 /nfs/dbraw/zinc/10/20/53/434102053.db2.gz NJIJIOKKTMURNW-NXWXRZEISA-N 2 1 302.462 3.084 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000502041907 294156775 /nfs/dbraw/zinc/15/67/75/294156775.db2.gz AHEIJADDZJOXRT-VAMGGRTRSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000502041907 294156778 /nfs/dbraw/zinc/15/67/78/294156778.db2.gz AHEIJADDZJOXRT-VAMGGRTRSA-N 2 1 316.489 3.182 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000505343214 294235742 /nfs/dbraw/zinc/23/57/42/294235742.db2.gz JVHIXWSRUINDGG-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000505562541 294242370 /nfs/dbraw/zinc/24/23/70/294242370.db2.gz UJJBKJYMNRATFH-GOSISDBHSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000505562541 294242374 /nfs/dbraw/zinc/24/23/74/294242374.db2.gz UJJBKJYMNRATFH-GOSISDBHSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000505562541 294242378 /nfs/dbraw/zinc/24/23/78/294242378.db2.gz UJJBKJYMNRATFH-GOSISDBHSA-N 2 1 316.489 3.292 20 0 DGADMP Cc1cnccc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000294717949 434129909 /nfs/dbraw/zinc/12/99/09/434129909.db2.gz FYCAESBMACCUAW-QZTJIDSGSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000294717949 434129914 /nfs/dbraw/zinc/12/99/14/434129914.db2.gz FYCAESBMACCUAW-QZTJIDSGSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000294717949 434129918 /nfs/dbraw/zinc/12/99/18/434129918.db2.gz FYCAESBMACCUAW-QZTJIDSGSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000294717949 434129926 /nfs/dbraw/zinc/12/99/26/434129926.db2.gz FYCAESBMACCUAW-QZTJIDSGSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000294717949 434129932 /nfs/dbraw/zinc/12/99/32/434129932.db2.gz FYCAESBMACCUAW-QZTJIDSGSA-N 2 1 301.478 3.476 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422947503 434131672 /nfs/dbraw/zinc/13/16/72/434131672.db2.gz QITUDNRXGSSSCV-YGRLFVJLSA-N 2 1 315.230 3.066 20 0 DGADMP CCCCn1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(C)n1 ZINC000423015016 434165450 /nfs/dbraw/zinc/16/54/50/434165450.db2.gz JWGQBIRHFWEVRS-YJBOKZPZSA-N 2 1 306.498 3.392 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000378323139 434141659 /nfs/dbraw/zinc/14/16/59/434141659.db2.gz ZJHWEDLCAYWYCX-BJLQDIEVSA-N 2 1 315.505 3.014 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC000363785530 434143260 /nfs/dbraw/zinc/14/32/60/434143260.db2.gz FPUFDVOBIDBZQI-KXBFYZLASA-N 2 1 319.468 3.114 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)cc1F ZINC000340465805 434143511 /nfs/dbraw/zinc/14/35/11/434143511.db2.gz UURFHMCOELEQGM-ACJLOTCBSA-N 2 1 317.408 3.367 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccco1 ZINC000422969863 434143984 /nfs/dbraw/zinc/14/39/84/434143984.db2.gz DSJRTYAYHXUNGC-BRSBDYLESA-N 2 1 319.493 3.173 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000422980628 434148414 /nfs/dbraw/zinc/14/84/14/434148414.db2.gz MCWBPEYBJANNFT-LEWJYISDSA-N 2 1 306.453 3.484 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422974478 434148615 /nfs/dbraw/zinc/14/86/15/434148615.db2.gz RCWLTHDXEYZALQ-YJBOKZPZSA-N 2 1 317.477 3.271 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000340467218 434150044 /nfs/dbraw/zinc/15/00/44/434150044.db2.gz XYFQFCWUEHTNRQ-GFCCVEGCSA-N 2 1 305.397 3.223 20 0 DGADMP CCc1ccc([C@H](CO)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000422997154 434160052 /nfs/dbraw/zinc/16/00/52/434160052.db2.gz AQUWJFKQHLKMJM-MNEFBYGVSA-N 2 1 304.478 3.183 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C/c1ccc(F)cc1 ZINC000378373539 434162694 /nfs/dbraw/zinc/16/26/94/434162694.db2.gz TYRBZQHGEYMNEP-HNJZAVPNSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C/c1ccc(F)cc1 ZINC000378373539 434162701 /nfs/dbraw/zinc/16/27/01/434162701.db2.gz TYRBZQHGEYMNEP-HNJZAVPNSA-N 2 1 318.436 3.022 20 0 DGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1c[nH+]ccc1N ZINC000423018223 434168903 /nfs/dbraw/zinc/16/89/03/434168903.db2.gz YNYMQFICWBDEOG-NSHDSACASA-N 2 1 303.356 3.155 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCCC1 ZINC000340517902 434174631 /nfs/dbraw/zinc/17/46/31/434174631.db2.gz HIADQXYOGNPBKO-KURKYZTESA-N 2 1 306.494 3.188 20 0 DGADMP COCCC(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423030687 434177318 /nfs/dbraw/zinc/17/73/18/434177318.db2.gz CGQJHFLLPPGLKW-ZWKOTPCHSA-N 2 1 320.477 3.141 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353551939 434220413 /nfs/dbraw/zinc/22/04/13/434220413.db2.gz MFZHWVPBICDUGI-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP Clc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000423033839 434178947 /nfs/dbraw/zinc/17/89/47/434178947.db2.gz HFRBYOSKORWPLP-GVDBMIGSSA-N 2 1 320.864 3.285 20 0 DGADMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)O ZINC000295074138 434180225 /nfs/dbraw/zinc/18/02/25/434180225.db2.gz SHIDAMATZHDPND-DYVFJYSZSA-N 2 1 301.434 3.381 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423052141 434192462 /nfs/dbraw/zinc/19/24/62/434192462.db2.gz PVGRPQHWLUSFPH-DZGCQCFKSA-N 2 1 311.429 3.273 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000316753342 434193803 /nfs/dbraw/zinc/19/38/03/434193803.db2.gz UMYCVXIPKFARNN-OLMMMNRUSA-N 2 1 300.446 3.078 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000316753342 434193815 /nfs/dbraw/zinc/19/38/15/434193815.db2.gz UMYCVXIPKFARNN-OLMMMNRUSA-N 2 1 300.446 3.078 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CCO2 ZINC000423051608 434193976 /nfs/dbraw/zinc/19/39/76/434193976.db2.gz OUAOYBSCXXLPNZ-RKVPGOIHSA-N 2 1 318.461 3.419 20 0 DGADMP C[C@H]([NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423061059 434197797 /nfs/dbraw/zinc/19/77/97/434197797.db2.gz PXNVNNZGYLISHU-SWLSCSKDSA-N 2 1 312.379 3.467 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1F ZINC000353542380 434209998 /nfs/dbraw/zinc/20/99/98/434209998.db2.gz KUAXKRUCCYUCCW-UHFFFAOYSA-N 2 1 320.408 3.381 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423088792 434213935 /nfs/dbraw/zinc/21/39/35/434213935.db2.gz SVZDHTHPYOHOQB-OTWHNJEPSA-N 2 1 315.505 3.190 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@@H](C)C1 ZINC000437095852 434216113 /nfs/dbraw/zinc/21/61/13/434216113.db2.gz KQJRHSZVPNSUIE-WMZOPIPTSA-N 2 1 303.494 3.351 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1(C)C ZINC000423015824 434167170 /nfs/dbraw/zinc/16/71/70/434167170.db2.gz LHWMJXSXHYGUMS-FXXCCUJSSA-N 2 1 302.462 3.129 20 0 DGADMP COCC1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423193204 434276034 /nfs/dbraw/zinc/27/60/34/434276034.db2.gz VJVHZOVADHBWKQ-FYOYPEGLSA-N 2 1 302.462 3.275 20 0 DGADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000423144845 434243823 /nfs/dbraw/zinc/24/38/23/434243823.db2.gz ZPRYJZZIJQLRCW-ZCNNSNEGSA-N 2 1 322.452 3.381 20 0 DGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000381907944 434276083 /nfs/dbraw/zinc/27/60/83/434276083.db2.gz JFUZABBUHMDSIU-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000381907944 434276089 /nfs/dbraw/zinc/27/60/89/434276089.db2.gz JFUZABBUHMDSIU-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000353582683 434246401 /nfs/dbraw/zinc/24/64/01/434246401.db2.gz SUUGTADBSFTLSP-ZIFCJYIRSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353582683 434246410 /nfs/dbraw/zinc/24/64/10/434246410.db2.gz SUUGTADBSFTLSP-ZIFCJYIRSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353582683 434246416 /nfs/dbraw/zinc/24/64/16/434246416.db2.gz SUUGTADBSFTLSP-ZIFCJYIRSA-N 2 1 303.494 3.140 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000381907944 434276099 /nfs/dbraw/zinc/27/60/99/434276099.db2.gz JFUZABBUHMDSIU-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647912 434256472 /nfs/dbraw/zinc/25/64/72/434256472.db2.gz LIURXWHGKKCEBX-JENIJYKNSA-N 2 1 303.494 3.017 20 0 DGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000379655611 434258683 /nfs/dbraw/zinc/25/86/83/434258683.db2.gz MFADDMMKDWQIPT-QXAKKESOSA-N 2 1 304.478 3.444 20 0 DGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000379655611 434258691 /nfs/dbraw/zinc/25/86/91/434258691.db2.gz MFADDMMKDWQIPT-QXAKKESOSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000423167248 434261882 /nfs/dbraw/zinc/26/18/82/434261882.db2.gz DXGQZSFYGFMIEI-IUCAKERBSA-N 2 1 305.647 3.318 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCCC1)CCCO2 ZINC000423187264 434273188 /nfs/dbraw/zinc/27/31/88/434273188.db2.gz XRLKLISSVIWTDX-INIZCTEOSA-N 2 1 304.434 3.160 20 0 DGADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423117083 434228717 /nfs/dbraw/zinc/22/87/17/434228717.db2.gz SWBXCQUCTSZCKZ-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)c2ccccc21 ZINC000423118641 434228776 /nfs/dbraw/zinc/22/87/76/434228776.db2.gz BPEAMHQHOIITMW-RZAIGCCYSA-N 2 1 316.832 3.150 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000319792388 434228907 /nfs/dbraw/zinc/22/89/07/434228907.db2.gz ZTWZJNLXFNLPKX-QRVBRYPASA-N 2 1 321.553 3.494 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000423123962 434232868 /nfs/dbraw/zinc/23/28/68/434232868.db2.gz NSODBQNISLGRIQ-LMMKCTJWSA-N 2 1 308.425 3.246 20 0 DGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000340600600 434233767 /nfs/dbraw/zinc/23/37/67/434233767.db2.gz HMOKWJJZYLGOTO-AWEZNQCLSA-N 2 1 308.470 3.308 20 0 DGADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423128006 434236426 /nfs/dbraw/zinc/23/64/26/434236426.db2.gz CUNPSDCZFJIOEZ-BRWVUGGUSA-N 2 1 324.415 3.045 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1N)CC1CC[NH+](C)CC1 ZINC000383895065 434285651 /nfs/dbraw/zinc/28/56/51/434285651.db2.gz KSICEZIJXIPLPG-UHFFFAOYSA-N 2 1 316.276 3.349 20 0 DGADMP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358022223 434292261 /nfs/dbraw/zinc/29/22/61/434292261.db2.gz NWGWTCOUADUTDV-BBWFWOEESA-N 2 1 304.478 3.430 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000358030551 434294174 /nfs/dbraw/zinc/29/41/74/434294174.db2.gz ATIFMYSJOKXHNB-OXQOHEQNSA-N 2 1 315.505 3.099 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000358030435 434295352 /nfs/dbraw/zinc/29/53/52/434295352.db2.gz AMUSWNSABPLEPO-OALUTQOASA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423227562 434296065 /nfs/dbraw/zinc/29/60/65/434296065.db2.gz WFLSUIZKMLPUIS-OJAHFUOMSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423227562 434296076 /nfs/dbraw/zinc/29/60/76/434296076.db2.gz WFLSUIZKMLPUIS-OJAHFUOMSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423227562 434296083 /nfs/dbraw/zinc/29/60/83/434296083.db2.gz WFLSUIZKMLPUIS-OJAHFUOMSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423233323 434298999 /nfs/dbraw/zinc/29/89/99/434298999.db2.gz DOIAKOGODHFZDU-QMMLZNLJSA-N 2 1 323.484 3.187 20 0 DGADMP Cc1cccc2c1CN(Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000348404425 434307859 /nfs/dbraw/zinc/30/78/59/434307859.db2.gz FNLAOWNFAJFTBS-UHFFFAOYSA-N 2 1 301.459 3.071 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000386538861 434311602 /nfs/dbraw/zinc/31/16/02/434311602.db2.gz QVTPLIZYMWSHJN-WDEREUQCSA-N 2 1 317.246 3.437 20 0 DGADMP CS[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1[NH+](C)C ZINC000340740912 434334145 /nfs/dbraw/zinc/33/41/45/434334145.db2.gz IODBHOYZUWMZMZ-JKSUJKDBSA-N 2 1 321.877 3.370 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000423259874 434318744 /nfs/dbraw/zinc/31/87/44/434318744.db2.gz FVWZHGKLUCQQGR-AAEUAGOBSA-N 2 1 316.392 3.321 20 0 DGADMP CC[C@H](C)N(Cc1nc(C(C)(C)N)no1)Cc1ccccc1 ZINC000387397305 434322478 /nfs/dbraw/zinc/32/24/78/434322478.db2.gz QDTHZCZMTXFGEK-ZDUSSCGKSA-N 2 1 302.422 3.064 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366076591 434326946 /nfs/dbraw/zinc/32/69/46/434326946.db2.gz ZMNFWAPBIXIPKU-TVFCKZIOSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000366076591 434326954 /nfs/dbraw/zinc/32/69/54/434326954.db2.gz ZMNFWAPBIXIPKU-TVFCKZIOSA-N 2 1 318.509 3.156 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C12CCCCC2 ZINC000387790988 434328482 /nfs/dbraw/zinc/32/84/82/434328482.db2.gz MTQXOXZOROUUNK-XLAORIBOSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C12CCCCC2 ZINC000387790988 434328492 /nfs/dbraw/zinc/32/84/92/434328492.db2.gz MTQXOXZOROUUNK-XLAORIBOSA-N 2 1 306.494 3.331 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000390646038 434366184 /nfs/dbraw/zinc/36/61/84/434366184.db2.gz MGEJCPOVGUAESW-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000390646038 434366194 /nfs/dbraw/zinc/36/61/94/434366194.db2.gz MGEJCPOVGUAESW-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000390836564 434369950 /nfs/dbraw/zinc/36/99/50/434369950.db2.gz ABVYVYSWFVTVDP-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000390836564 434369957 /nfs/dbraw/zinc/36/99/57/434369957.db2.gz ABVYVYSWFVTVDP-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287499924 434377888 /nfs/dbraw/zinc/37/78/88/434377888.db2.gz YKVQUBYFYHRWHX-HAGHYFMRSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287499929 434378637 /nfs/dbraw/zinc/37/86/37/434378637.db2.gz YKVQUBYFYHRWHX-MUGJNUQGSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)ccc1F ZINC000423369171 434384353 /nfs/dbraw/zinc/38/43/53/434384353.db2.gz FPWZVBQIKZRASW-FOGDFJRCSA-N 2 1 315.230 3.379 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)c(F)c1 ZINC000423363307 434386359 /nfs/dbraw/zinc/38/63/59/434386359.db2.gz NXEHBLUFTZIGLH-ZYHUDNBSSA-N 2 1 315.230 3.381 20 0 DGADMP COc1cccc2c(N3CC[C@]4(CC[N@@H+](C)C4)C3)cc(C)nc12 ZINC000366111157 434335125 /nfs/dbraw/zinc/33/51/25/434335125.db2.gz LLVCCHMYGRAYFV-IBGZPJMESA-N 2 1 311.429 3.084 20 0 DGADMP COc1cccc2c(N3CC[C@]4(CC[N@H+](C)C4)C3)cc(C)[nH+]c12 ZINC000366111157 434335137 /nfs/dbraw/zinc/33/51/37/434335137.db2.gz LLVCCHMYGRAYFV-IBGZPJMESA-N 2 1 311.429 3.084 20 0 DGADMP COc1cccc2c(N3CC[C@]4(CC[N@@H+](C)C4)C3)cc(C)[nH+]c12 ZINC000366111157 434335145 /nfs/dbraw/zinc/33/51/45/434335145.db2.gz LLVCCHMYGRAYFV-IBGZPJMESA-N 2 1 311.429 3.084 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358122030 434341620 /nfs/dbraw/zinc/34/16/20/434341620.db2.gz FFNCAQNLTSOEBH-GJZGRUSLSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358122030 434341626 /nfs/dbraw/zinc/34/16/26/434341626.db2.gz FFNCAQNLTSOEBH-GJZGRUSLSA-N 2 1 310.388 3.047 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(F)cn1 ZINC000423295184 434345062 /nfs/dbraw/zinc/34/50/62/434345062.db2.gz WIWUGHQUZZNKTO-NWDGAFQWSA-N 2 1 303.381 3.100 20 0 DGADMP Cc1ccccc1[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162673 434347716 /nfs/dbraw/zinc/34/77/16/434347716.db2.gz IBEFTCWCOLRPQD-IEBWSBKVSA-N 2 1 302.462 3.243 20 0 DGADMP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568280 434359212 /nfs/dbraw/zinc/35/92/12/434359212.db2.gz OBJLOIPZEJCPJN-ZWKOTPCHSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568280 434359221 /nfs/dbraw/zinc/35/92/21/434359221.db2.gz OBJLOIPZEJCPJN-ZWKOTPCHSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423480454 434444447 /nfs/dbraw/zinc/44/44/47/434444447.db2.gz NHVALSMYZIZQFM-CRAIPNDOSA-N 3 1 312.461 3.364 20 0 DGADMP Clc1ccc([C@@H](CC2CC2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423485775 434447842 /nfs/dbraw/zinc/44/78/42/434447842.db2.gz BFXUETMSWBUDQK-DLBZAZTESA-N 2 1 308.853 3.149 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(-n3cccn3)c2)C[C@H]1C ZINC000353754146 434404347 /nfs/dbraw/zinc/40/43/47/434404347.db2.gz YFXPDJYWVAEQKN-AEFFLSMTSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(-n3cccn3)c2)C[C@H]1C ZINC000353754146 434404355 /nfs/dbraw/zinc/40/43/55/434404355.db2.gz YFXPDJYWVAEQKN-AEFFLSMTSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(-n3cccn3)c2)C[C@H]1C ZINC000353754146 434404363 /nfs/dbraw/zinc/40/43/63/434404363.db2.gz YFXPDJYWVAEQKN-AEFFLSMTSA-N 2 1 312.461 3.177 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103776 434406441 /nfs/dbraw/zinc/40/64/41/434406441.db2.gz VNZXLLPVLGUJQI-CJNGLKHVSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103776 434406454 /nfs/dbraw/zinc/40/64/54/434406454.db2.gz VNZXLLPVLGUJQI-CJNGLKHVSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103776 434406465 /nfs/dbraw/zinc/40/64/65/434406465.db2.gz VNZXLLPVLGUJQI-CJNGLKHVSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103776 434406480 /nfs/dbraw/zinc/40/64/80/434406480.db2.gz VNZXLLPVLGUJQI-CJNGLKHVSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438110738 434408067 /nfs/dbraw/zinc/40/80/67/434408067.db2.gz VJOZPNZZDCOUTO-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@@H]1CCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438110738 434408076 /nfs/dbraw/zinc/40/80/76/434408076.db2.gz VJOZPNZZDCOUTO-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@@H]1CCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438110738 434408083 /nfs/dbraw/zinc/40/80/83/434408083.db2.gz VJOZPNZZDCOUTO-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115492 434415309 /nfs/dbraw/zinc/41/53/09/434415309.db2.gz HTOMHWJUZOUXRG-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115492 434415321 /nfs/dbraw/zinc/41/53/21/434415321.db2.gz HTOMHWJUZOUXRG-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115492 434415331 /nfs/dbraw/zinc/41/53/31/434415331.db2.gz HTOMHWJUZOUXRG-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115492 434415338 /nfs/dbraw/zinc/41/53/38/434415338.db2.gz HTOMHWJUZOUXRG-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP C[N@H+](CC[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438124230 434418766 /nfs/dbraw/zinc/41/87/66/434418766.db2.gz ZSWKSKCJPOVVBB-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](CC[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438124230 434418776 /nfs/dbraw/zinc/41/87/76/434418776.db2.gz ZSWKSKCJPOVVBB-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438121495 434418840 /nfs/dbraw/zinc/41/88/40/434418840.db2.gz YLVDCPPUAIDAGP-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP COC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000295577853 434420794 /nfs/dbraw/zinc/42/07/94/434420794.db2.gz BEFQAQAAACRPNN-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP CN(Cc1cc(Cl)cc2c1OCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000340917152 434434306 /nfs/dbraw/zinc/43/43/06/434434306.db2.gz NLZTVQGDVPOXFR-CYBMUJFWSA-N 2 1 308.853 3.049 20 0 DGADMP C[C@H]1CSC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295806173 434436029 /nfs/dbraw/zinc/43/60/29/434436029.db2.gz TUFWDRAADLACBL-MXSMSXNCSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@H]1CSC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295806173 434436036 /nfs/dbraw/zinc/43/60/36/434436036.db2.gz TUFWDRAADLACBL-MXSMSXNCSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423463509 434436617 /nfs/dbraw/zinc/43/66/17/434436617.db2.gz LGKSTQKMEBTINM-ORFRNNEJSA-N 2 1 315.505 3.003 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cc(F)cc(F)c1 ZINC000287743858 434440816 /nfs/dbraw/zinc/44/08/16/434440816.db2.gz YXOOMUKKDDCJGK-HZPDHXFCSA-N 2 1 324.415 3.339 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423473218 434441762 /nfs/dbraw/zinc/44/17/62/434441762.db2.gz QPVAFHBRCWMVCE-NOZJJQNGSA-N 2 1 317.658 3.417 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(-c2ccccc2)c1 ZINC000423509735 434465665 /nfs/dbraw/zinc/46/56/65/434465665.db2.gz JAOZNAHFFGPCIM-JXFKEZNVSA-N 2 1 310.441 3.383 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(-c2ccccc2)c1 ZINC000423509737 434465714 /nfs/dbraw/zinc/46/57/14/434465714.db2.gz JAOZNAHFFGPCIM-OXQOHEQNSA-N 2 1 310.441 3.383 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(-c2ccccc2)c1 ZINC000423509736 434467335 /nfs/dbraw/zinc/46/73/35/434467335.db2.gz JAOZNAHFFGPCIM-OXJNMPFZSA-N 2 1 310.441 3.383 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2cccs2)cc1 ZINC000423529282 434477533 /nfs/dbraw/zinc/47/75/33/434477533.db2.gz XQRVAXKFOFLZBU-WMLDXEAASA-N 2 1 316.470 3.444 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000423536556 434479452 /nfs/dbraw/zinc/47/94/52/434479452.db2.gz ZPYRIFIWNNQZQS-XJKSGUPXSA-N 2 1 304.434 3.016 20 0 DGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000423533255 434482740 /nfs/dbraw/zinc/48/27/40/434482740.db2.gz STKGYVYQQBUXDJ-BVOGOJNSSA-N 2 1 321.468 3.453 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000296031302 434483717 /nfs/dbraw/zinc/48/37/17/434483717.db2.gz QDMFNEXILRKFBI-QFBILLFUSA-N 2 1 324.472 3.492 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000296031302 434483726 /nfs/dbraw/zinc/48/37/26/434483726.db2.gz QDMFNEXILRKFBI-QFBILLFUSA-N 2 1 324.472 3.492 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401875954 434497616 /nfs/dbraw/zinc/49/76/16/434497616.db2.gz FCMNCLKKSWGYOV-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423492456 434456020 /nfs/dbraw/zinc/45/60/20/434456020.db2.gz NDTRYGNENBJRTB-IAGOWNOFSA-N 2 1 310.869 3.395 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2sccc2Br)[C@H]1CC[NH3+] ZINC000404314405 434510438 /nfs/dbraw/zinc/51/04/38/434510438.db2.gz YWPNTLLUUIHPMN-PWSUYJOCSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2sccc2Br)[C@H]1CC[NH3+] ZINC000404314405 434510444 /nfs/dbraw/zinc/51/04/44/434510444.db2.gz YWPNTLLUUIHPMN-PWSUYJOCSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC000404393129 434513927 /nfs/dbraw/zinc/51/39/27/434513927.db2.gz ZCVJOXSPRYOIFU-XJKSGUPXSA-N 2 1 323.868 3.118 20 0 DGADMP Cc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404479821 434517703 /nfs/dbraw/zinc/51/77/03/434517703.db2.gz DRUXBOYUQJWFGS-MRXNPFEDSA-N 2 1 301.459 3.063 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404479821 434517718 /nfs/dbraw/zinc/51/77/18/434517718.db2.gz DRUXBOYUQJWFGS-MRXNPFEDSA-N 2 1 301.459 3.063 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000423726663 434520270 /nfs/dbraw/zinc/52/02/70/434520270.db2.gz KAAXFTYPSTYKII-OAHLLOKOSA-N 2 1 317.477 3.043 20 0 DGADMP C[C@@H]1CCc2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2C1 ZINC000348867750 434534129 /nfs/dbraw/zinc/53/41/29/434534129.db2.gz IRFFBMVXENQJJY-JKXDFHQYSA-N 2 1 319.518 3.325 20 0 DGADMP C[C@H](C1CCC1)[NH+](C)CC1(C[N@H+](C)[C@H](C)C2CCC2)COC1 ZINC000360211394 434547353 /nfs/dbraw/zinc/54/73/53/434547353.db2.gz DBOCBHHUPPKFJM-HZPDHXFCSA-N 2 1 308.510 3.244 20 0 DGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525486413 295017425 /nfs/dbraw/zinc/01/74/25/295017425.db2.gz SFCWXEIJUOJCQI-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525486413 295017427 /nfs/dbraw/zinc/01/74/27/295017427.db2.gz SFCWXEIJUOJCQI-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525486413 295017428 /nfs/dbraw/zinc/01/74/28/295017428.db2.gz SFCWXEIJUOJCQI-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000527636857 295107659 /nfs/dbraw/zinc/10/76/59/295107659.db2.gz FDQNWXMENFEBCF-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000527636857 295107660 /nfs/dbraw/zinc/10/76/60/295107660.db2.gz FDQNWXMENFEBCF-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)OC)c1 ZINC000527920176 295150274 /nfs/dbraw/zinc/15/02/74/295150274.db2.gz MGOOEIDCKAMURL-GOSISDBHSA-N 2 1 320.477 3.235 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401127 295209116 /nfs/dbraw/zinc/20/91/16/295209116.db2.gz VSVRZHRQBXHYDT-IEBWSBKVSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401127 295209119 /nfs/dbraw/zinc/20/91/19/295209119.db2.gz VSVRZHRQBXHYDT-IEBWSBKVSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401127 295209121 /nfs/dbraw/zinc/20/91/21/295209121.db2.gz VSVRZHRQBXHYDT-IEBWSBKVSA-N 2 1 322.468 3.047 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccc(F)cc2)OC)[C@@H](C)C1 ZINC000528417587 295210872 /nfs/dbraw/zinc/21/08/72/295210872.db2.gz STZJNSQXSFFRPZ-SNRMKQJTSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccc(F)cc2)OC)[C@@H](C)C1 ZINC000528417587 295210873 /nfs/dbraw/zinc/21/08/73/295210873.db2.gz STZJNSQXSFFRPZ-SNRMKQJTSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccc(F)cc2)OC)[C@@H](C)C1 ZINC000528417587 295210875 /nfs/dbraw/zinc/21/08/75/295210875.db2.gz STZJNSQXSFFRPZ-SNRMKQJTSA-N 2 1 322.468 3.045 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccnc1C(F)(F)F ZINC000528424836 295212004 /nfs/dbraw/zinc/21/20/04/295212004.db2.gz YKGQVKSKTROAQO-UHFFFAOYSA-N 2 1 312.339 3.127 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000528424836 295212007 /nfs/dbraw/zinc/21/20/07/295212007.db2.gz YKGQVKSKTROAQO-UHFFFAOYSA-N 2 1 312.339 3.127 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000420301083 295212167 /nfs/dbraw/zinc/21/21/67/295212167.db2.gz IJAOUQCYYIXOLH-SFHVURJKSA-N 2 1 310.441 3.402 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000423342018 295225617 /nfs/dbraw/zinc/22/56/17/295225617.db2.gz USPDFJKVGOTGHG-ZOCIIQOWSA-N 2 1 302.462 3.309 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1(C(=O)OC)CCC1 ZINC000354030044 434588637 /nfs/dbraw/zinc/58/86/37/434588637.db2.gz RICCMLHKBDCNCR-IAGOWNOFSA-N 2 1 324.509 3.066 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452062462 434584507 /nfs/dbraw/zinc/58/45/07/434584507.db2.gz SLZYVOMATWZLQX-GOEBONIOSA-N 2 1 308.491 3.026 20 0 DGADMP Fc1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000459569153 434614038 /nfs/dbraw/zinc/61/40/38/434614038.db2.gz LRKBPCUYRZWDEA-UHFFFAOYSA-N 2 1 312.816 3.074 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000439488576 434615919 /nfs/dbraw/zinc/61/59/19/434615919.db2.gz AMCYHZPTHNHVFZ-UHFFFAOYSA-N 2 1 319.493 3.036 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000459640640 434645202 /nfs/dbraw/zinc/64/52/02/434645202.db2.gz XMBYZPVIGIPHAX-KDURUIRLSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)CC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360480644 434618319 /nfs/dbraw/zinc/61/83/19/434618319.db2.gz BCLNZKNXBGNFMG-CRAIPNDOSA-N 2 1 317.477 3.101 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360480644 434618331 /nfs/dbraw/zinc/61/83/31/434618331.db2.gz BCLNZKNXBGNFMG-CRAIPNDOSA-N 2 1 317.477 3.101 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCc3ccncc3)C2)CC1 ZINC000360437690 434604384 /nfs/dbraw/zinc/60/43/84/434604384.db2.gz NYXPLTPOFKNHMT-FQEVSTJZSA-N 2 1 315.505 3.458 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCc3ccncc3)C2)CC1 ZINC000360437691 434606357 /nfs/dbraw/zinc/60/63/57/434606357.db2.gz NYXPLTPOFKNHMT-HXUWFJFHSA-N 2 1 315.505 3.458 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c1 ZINC000354078149 434606487 /nfs/dbraw/zinc/60/64/87/434606487.db2.gz NZHDHCQPOHCLFA-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP Fc1cc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000459568178 434611017 /nfs/dbraw/zinc/61/10/17/434611017.db2.gz BACSQEJSWVCUMO-UHFFFAOYSA-N 2 1 312.816 3.074 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000354085642 434611171 /nfs/dbraw/zinc/61/11/71/434611171.db2.gz XRNGJYKXYRXURE-KRWDZBQOSA-N 2 1 308.441 3.067 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000459747104 434695678 /nfs/dbraw/zinc/69/56/78/434695678.db2.gz ZUYAODCWOFDZJA-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000349372802 434697397 /nfs/dbraw/zinc/69/73/97/434697397.db2.gz VVSUHFAUKLSPMW-UHFFFAOYSA-N 2 1 300.450 3.159 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000349372802 434697401 /nfs/dbraw/zinc/69/74/01/434697401.db2.gz VVSUHFAUKLSPMW-UHFFFAOYSA-N 2 1 300.450 3.159 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349381742 434697909 /nfs/dbraw/zinc/69/79/09/434697909.db2.gz QZGOQSCKUHBUBW-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cn1 ZINC000354160804 434650485 /nfs/dbraw/zinc/65/04/85/434650485.db2.gz ZDPOZLWQHQOTFZ-APWZRJJASA-N 2 1 303.494 3.423 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cs2)C1 ZINC000459721770 434674937 /nfs/dbraw/zinc/67/49/37/434674937.db2.gz AVDYNSOVIGCENU-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000459723756 434676093 /nfs/dbraw/zinc/67/60/93/434676093.db2.gz CUBTUNFEDXCWPV-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424282778 434676248 /nfs/dbraw/zinc/67/62/48/434676248.db2.gz ALJOBGRYVCVBPD-HNNXBMFYSA-N 2 1 320.502 3.251 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285578 434678738 /nfs/dbraw/zinc/67/87/38/434678738.db2.gz FXQFZPYZXXTKSK-INIZCTEOSA-N 2 1 302.462 3.092 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226474 434679083 /nfs/dbraw/zinc/67/90/83/434679083.db2.gz WIGWXWLYDYRADW-HIFRSBDPSA-N 2 1 303.406 3.239 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000459727851 434680412 /nfs/dbraw/zinc/68/04/12/434680412.db2.gz HOPFITAXMDPJKR-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc2ccccc2[nH]c1=O ZINC000349362228 434690446 /nfs/dbraw/zinc/69/04/46/434690446.db2.gz CLALWSIZEMUMTH-UHFFFAOYSA-N 2 1 315.461 3.494 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc2ccccc2[nH]c1=O ZINC000349362228 434690451 /nfs/dbraw/zinc/69/04/51/434690451.db2.gz CLALWSIZEMUMTH-UHFFFAOYSA-N 2 1 315.461 3.494 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@@H+]1C ZINC000424311935 434690887 /nfs/dbraw/zinc/69/08/87/434690887.db2.gz LLYIPBSHCKMWCO-PVAVHDDUSA-N 2 1 315.486 3.499 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@H+]1C ZINC000424311935 434690896 /nfs/dbraw/zinc/69/08/96/434690896.db2.gz LLYIPBSHCKMWCO-PVAVHDDUSA-N 2 1 315.486 3.499 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411245414 434750180 /nfs/dbraw/zinc/75/01/80/434750180.db2.gz KKVUPIAFCAVCFK-ROUUACIJSA-N 2 1 313.420 3.370 20 0 DGADMP CCOC(=O)CC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411232147 434750236 /nfs/dbraw/zinc/75/02/36/434750236.db2.gz XROSVSYOSBNSSQ-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411257601 434751899 /nfs/dbraw/zinc/75/18/99/434751899.db2.gz UPNJNZBENAQEBP-YLJYHZDGSA-N 2 1 316.489 3.408 20 0 DGADMP CCCOc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000371437658 434702623 /nfs/dbraw/zinc/70/26/23/434702623.db2.gz ICVQJZXLOPWBSB-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000371437658 434702632 /nfs/dbraw/zinc/70/26/32/434702632.db2.gz ICVQJZXLOPWBSB-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000371437658 434702638 /nfs/dbraw/zinc/70/26/38/434702638.db2.gz ICVQJZXLOPWBSB-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000371437656 434704259 /nfs/dbraw/zinc/70/42/59/434704259.db2.gz ICVQJZXLOPWBSB-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000371437656 434704265 /nfs/dbraw/zinc/70/42/65/434704265.db2.gz ICVQJZXLOPWBSB-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000371437656 434704271 /nfs/dbraw/zinc/70/42/71/434704271.db2.gz ICVQJZXLOPWBSB-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000349404094 434706337 /nfs/dbraw/zinc/70/63/37/434706337.db2.gz DMVJZOBOQHKBGB-UHFFFAOYSA-N 2 1 313.405 3.005 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000349404094 434706342 /nfs/dbraw/zinc/70/63/42/434706342.db2.gz DMVJZOBOQHKBGB-UHFFFAOYSA-N 2 1 313.405 3.005 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2ncc(C)n2C)CC1)CC(C)C ZINC000349410488 434706370 /nfs/dbraw/zinc/70/63/70/434706370.db2.gz VACCVWCGDBWXQL-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C)n2C)CC1)CC(C)C ZINC000349410488 434706376 /nfs/dbraw/zinc/70/63/76/434706376.db2.gz VACCVWCGDBWXQL-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP CCOc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424374642 434713369 /nfs/dbraw/zinc/71/33/69/434713369.db2.gz INNMDYLHHYIMJJ-HNNXBMFYSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000459776050 434715778 /nfs/dbraw/zinc/71/57/78/434715778.db2.gz JXGJMBLOWJAHDB-NVXWUHKLSA-N 2 1 320.477 3.043 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(C(C)(C)C)s1)CC[NH2+]CC2 ZINC000424388025 434716613 /nfs/dbraw/zinc/71/66/13/434716613.db2.gz YYGSJUQOZUNANU-CYBMUJFWSA-N 2 1 307.507 3.405 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000459776055 434716766 /nfs/dbraw/zinc/71/67/66/434716766.db2.gz JXGJMBLOWJAHDB-WBVHZDCISA-N 2 1 320.477 3.043 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000459793829 434720577 /nfs/dbraw/zinc/72/05/77/434720577.db2.gz TZGHFFONBVWUTK-HOTGVXAUSA-N 2 1 322.468 3.334 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000459793155 434722741 /nfs/dbraw/zinc/72/27/41/434722741.db2.gz SXRGIZAIHMAVMM-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459799664 434725243 /nfs/dbraw/zinc/72/52/43/434725243.db2.gz YUHUXZMMEOFJJB-RCCFBDPRSA-N 2 1 324.509 3.210 20 0 DGADMP Cn1cc(C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000411133075 434728893 /nfs/dbraw/zinc/72/88/93/434728893.db2.gz JOXSYIRPRMQCGI-UHFFFAOYSA-N 2 1 312.461 3.038 20 0 DGADMP Cn1cc(C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000411133075 434728899 /nfs/dbraw/zinc/72/88/99/434728899.db2.gz JOXSYIRPRMQCGI-UHFFFAOYSA-N 2 1 312.461 3.038 20 0 DGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411175343 434738107 /nfs/dbraw/zinc/73/81/07/434738107.db2.gz QMQUEECALLUBDX-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371848073 434760325 /nfs/dbraw/zinc/76/03/25/434760325.db2.gz XSGLSPPEGRLQJD-MOPGFXCFSA-N 2 1 309.542 3.303 20 0 DGADMP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317463 434762082 /nfs/dbraw/zinc/76/20/82/434762082.db2.gz YMKYVFBSIURREN-MNEFBYGVSA-N 2 1 302.437 3.489 20 0 DGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317463 434762085 /nfs/dbraw/zinc/76/20/85/434762085.db2.gz YMKYVFBSIURREN-MNEFBYGVSA-N 2 1 302.437 3.489 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453066510 434787704 /nfs/dbraw/zinc/78/77/04/434787704.db2.gz XBGFDRMPUYJOAC-XUVXKRRUSA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453061437 434788787 /nfs/dbraw/zinc/78/87/87/434788787.db2.gz BMROLSSFZVEAFT-YRPNKDGESA-N 2 1 314.473 3.056 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC2(O)CCC2)CC1)CC(C)C ZINC000411444981 434780892 /nfs/dbraw/zinc/78/08/92/434780892.db2.gz OAGRFFXCWDOAHK-UHFFFAOYSA-N 2 1 310.526 3.372 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361056943 434781571 /nfs/dbraw/zinc/78/15/71/434781571.db2.gz JQCGQAWUQAOIEQ-IBGZPJMESA-N 2 1 318.509 3.250 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453116667 434804786 /nfs/dbraw/zinc/80/47/86/434804786.db2.gz YDSIARMDGCHHCD-CVEARBPZSA-N 2 1 300.450 3.224 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000453101542 434800335 /nfs/dbraw/zinc/80/03/35/434800335.db2.gz OCXRYZLDPRQIOB-AEFFLSMTSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000453101542 434800339 /nfs/dbraw/zinc/80/03/39/434800339.db2.gz OCXRYZLDPRQIOB-AEFFLSMTSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000453101544 434800597 /nfs/dbraw/zinc/80/05/97/434800597.db2.gz OCXRYZLDPRQIOB-SJLPKXTDSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000453101544 434800603 /nfs/dbraw/zinc/80/06/03/434800603.db2.gz OCXRYZLDPRQIOB-SJLPKXTDSA-N 2 1 301.478 3.399 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1(O)CCC1 ZINC000411523822 434793821 /nfs/dbraw/zinc/79/38/21/434793821.db2.gz GUUJYHWFZSUDRS-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cncs1 ZINC000411546532 434798190 /nfs/dbraw/zinc/79/81/90/434798190.db2.gz ASZDIZDAGNBLDA-YJBOKZPZSA-N 2 1 315.486 3.186 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000361177285 434823222 /nfs/dbraw/zinc/82/32/22/434823222.db2.gz IKLRCMORKQASGD-IPMKNSEASA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000372493950 434835096 /nfs/dbraw/zinc/83/50/96/434835096.db2.gz XJAZPWRUQSRZCT-PKOFMYQESA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000372493950 434835099 /nfs/dbraw/zinc/83/50/99/434835099.db2.gz XJAZPWRUQSRZCT-PKOFMYQESA-N 2 1 314.473 3.054 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453233569 434836587 /nfs/dbraw/zinc/83/65/87/434836587.db2.gz WMWBWEZXEOTRBJ-NXWXRZEISA-N 2 1 302.462 3.054 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000453284992 434848932 /nfs/dbraw/zinc/84/89/32/434848932.db2.gz NQBQKPDMILGTDQ-FUMNGEBKSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411986601 434850606 /nfs/dbraw/zinc/85/06/06/434850606.db2.gz RPABKVFMYVJMGO-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411986601 434850608 /nfs/dbraw/zinc/85/06/08/434850608.db2.gz RPABKVFMYVJMGO-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411986601 434850611 /nfs/dbraw/zinc/85/06/11/434850611.db2.gz RPABKVFMYVJMGO-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412017115 434854968 /nfs/dbraw/zinc/85/49/68/434854968.db2.gz ZBDUFVGORBXVSY-UFYCRDLUSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412017115 434854970 /nfs/dbraw/zinc/85/49/70/434854970.db2.gz ZBDUFVGORBXVSY-UFYCRDLUSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000412017115 434854974 /nfs/dbraw/zinc/85/49/74/434854974.db2.gz ZBDUFVGORBXVSY-UFYCRDLUSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000412017115 434854976 /nfs/dbraw/zinc/85/49/76/434854976.db2.gz ZBDUFVGORBXVSY-UFYCRDLUSA-N 2 1 316.489 3.100 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000573112527 434875819 /nfs/dbraw/zinc/87/58/19/434875819.db2.gz CSBPDVWFWZDCEL-QZTJIDSGSA-N 2 1 306.498 3.008 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000521460951 434884505 /nfs/dbraw/zinc/88/45/05/434884505.db2.gz QGTGZAHURAMIKY-ZMSDIMECSA-N 2 1 317.477 3.394 20 0 DGADMP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995069 434905534 /nfs/dbraw/zinc/90/55/34/434905534.db2.gz DOFQWFHGKMIMIE-QZTJIDSGSA-N 2 1 324.896 3.124 20 0 DGADMP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995069 434905538 /nfs/dbraw/zinc/90/55/38/434905538.db2.gz DOFQWFHGKMIMIE-QZTJIDSGSA-N 2 1 324.896 3.124 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462410185 434912200 /nfs/dbraw/zinc/91/22/00/434912200.db2.gz NSOBCSDFAXAYNI-HXUWFJFHSA-N 2 1 310.441 3.294 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000573648879 434914569 /nfs/dbraw/zinc/91/45/69/434914569.db2.gz XRROMBKPCFRXDM-JENIJYKNSA-N 2 1 309.542 3.348 20 0 DGADMP COc1cccc(OC)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000637958903 434916292 /nfs/dbraw/zinc/91/62/92/434916292.db2.gz VXZJDBRBPQYUSX-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000573000715 434868268 /nfs/dbraw/zinc/86/82/68/434868268.db2.gz PAKMRJBRUMSGBQ-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000573000715 434868270 /nfs/dbraw/zinc/86/82/70/434868270.db2.gz PAKMRJBRUMSGBQ-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)CC1CC[NH+](C)CC1 ZINC000638028535 434937709 /nfs/dbraw/zinc/93/77/09/434937709.db2.gz GLDOLCVIBNCJFY-UHFFFAOYSA-N 2 1 319.399 3.287 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638063798 434945975 /nfs/dbraw/zinc/94/59/75/434945975.db2.gz PXJZJQOOKSFRIE-WMLDXEAASA-N 2 1 313.445 3.047 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CCCCO3)C2)s1 ZINC000554852262 434947692 /nfs/dbraw/zinc/94/76/92/434947692.db2.gz UYCVJIORAMXFBM-DLBZAZTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCCCO3)C2)s1 ZINC000554852262 434947695 /nfs/dbraw/zinc/94/76/95/434947695.db2.gz UYCVJIORAMXFBM-DLBZAZTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCCCO3)C2)s1 ZINC000554852262 434947700 /nfs/dbraw/zinc/94/77/00/434947700.db2.gz UYCVJIORAMXFBM-DLBZAZTESA-N 2 1 322.518 3.379 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638116644 434958572 /nfs/dbraw/zinc/95/85/72/434958572.db2.gz FOFCTOOBMFJQFB-OALUTQOASA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638116644 434958573 /nfs/dbraw/zinc/95/85/73/434958573.db2.gz FOFCTOOBMFJQFB-OALUTQOASA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638116644 434958577 /nfs/dbraw/zinc/95/85/77/434958577.db2.gz FOFCTOOBMFJQFB-OALUTQOASA-N 2 1 315.505 3.319 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000555377266 434971606 /nfs/dbraw/zinc/97/16/06/434971606.db2.gz KVNDHRRYZIRHFE-ICSRJNTNSA-N 2 1 321.553 3.303 20 0 DGADMP COCC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000638448794 435033469 /nfs/dbraw/zinc/03/34/69/435033469.db2.gz XJCNRWDSQSJNOR-MRXNPFEDSA-N 2 1 322.518 3.366 20 0 DGADMP COCC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCC1 ZINC000638448794 435033472 /nfs/dbraw/zinc/03/34/72/435033472.db2.gz XJCNRWDSQSJNOR-MRXNPFEDSA-N 2 1 322.518 3.366 20 0 DGADMP COc1cc(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccn1 ZINC000638365563 435014525 /nfs/dbraw/zinc/01/45/25/435014525.db2.gz FYGMZAGBASUYDY-IRXDYDNUSA-N 2 1 319.493 3.123 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000638376451 435016792 /nfs/dbraw/zinc/01/67/92/435016792.db2.gz KQMLKQGOECYAKL-IPMKNSEASA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CC1(F)F ZINC000638421646 435027272 /nfs/dbraw/zinc/02/72/72/435027272.db2.gz XNTJEGYTCIKFQH-CKEIUWERSA-N 2 1 324.415 3.041 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CC1(F)F ZINC000638421646 435027279 /nfs/dbraw/zinc/02/72/79/435027279.db2.gz XNTJEGYTCIKFQH-CKEIUWERSA-N 2 1 324.415 3.041 20 0 DGADMP CCOC1CC(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000638419783 435027784 /nfs/dbraw/zinc/02/77/84/435027784.db2.gz JMMCLIDJQQLSRJ-UHFFFAOYSA-N 2 1 317.408 3.225 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CCCO1 ZINC000555760392 434987123 /nfs/dbraw/zinc/98/71/23/434987123.db2.gz ZWONCVRGIKULRV-RDTXWAMCSA-N 2 1 322.880 3.418 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638360226 435011470 /nfs/dbraw/zinc/01/14/70/435011470.db2.gz VOGBXXXTPYVNDU-SNVBAGLBSA-N 2 1 314.260 3.150 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000638360226 435011474 /nfs/dbraw/zinc/01/14/74/435011474.db2.gz VOGBXXXTPYVNDU-SNVBAGLBSA-N 2 1 314.260 3.150 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@H](C)C1 ZINC000557803044 435068572 /nfs/dbraw/zinc/06/85/72/435068572.db2.gz GRQBDGSRQOOCDM-PJKWBFRZSA-N 2 1 316.489 3.426 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOCCc2ccccc2)C[C@@H]1C ZINC000531139952 435074383 /nfs/dbraw/zinc/07/43/83/435074383.db2.gz KONKDASYTNXFBS-AZUAARDMSA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCCc2ccccc2)C[C@@H]1C ZINC000531139952 435074386 /nfs/dbraw/zinc/07/43/86/435074386.db2.gz KONKDASYTNXFBS-AZUAARDMSA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCCc2ccccc2)C[C@@H]1C ZINC000531139952 435074388 /nfs/dbraw/zinc/07/43/88/435074388.db2.gz KONKDASYTNXFBS-AZUAARDMSA-N 2 1 318.505 3.440 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2ccncc2)CC1 ZINC000558386977 435086858 /nfs/dbraw/zinc/08/68/58/435086858.db2.gz UXXKNBBTIIWCKB-UHFFFAOYSA-N 2 1 303.494 3.458 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638451765 435034115 /nfs/dbraw/zinc/03/41/15/435034115.db2.gz QICQILLLYTUDSF-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638451765 435034118 /nfs/dbraw/zinc/03/41/18/435034118.db2.gz QICQILLLYTUDSF-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638451985 435035747 /nfs/dbraw/zinc/03/57/47/435035747.db2.gz SQVKHJBOXPYVPP-AZUAARDMSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638451985 435035750 /nfs/dbraw/zinc/03/57/50/435035750.db2.gz SQVKHJBOXPYVPP-AZUAARDMSA-N 3 1 315.505 3.286 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000556886586 435036841 /nfs/dbraw/zinc/03/68/41/435036841.db2.gz NIEQVYSNWDPJST-OVZGMEQFSA-N 2 1 316.489 3.180 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000556920966 435038099 /nfs/dbraw/zinc/03/80/99/435038099.db2.gz RMDIEYMXSDMBCA-AEFFLSMTSA-N 2 1 304.478 3.480 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000556920966 435038103 /nfs/dbraw/zinc/03/81/03/435038103.db2.gz RMDIEYMXSDMBCA-AEFFLSMTSA-N 2 1 304.478 3.480 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000638521358 435045333 /nfs/dbraw/zinc/04/53/33/435045333.db2.gz IGODMKIHJQLUMY-IBGZPJMESA-N 2 1 318.530 3.284 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000557273978 435048748 /nfs/dbraw/zinc/04/87/48/435048748.db2.gz QGCZMVUXEDBQEC-NZSAHSFTSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000557273978 435048753 /nfs/dbraw/zinc/04/87/53/435048753.db2.gz QGCZMVUXEDBQEC-NZSAHSFTSA-N 2 1 318.505 3.426 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000557395443 435050876 /nfs/dbraw/zinc/05/08/76/435050876.db2.gz YHGUIJRCNPQJIF-JAZQRGJZSA-N 2 1 314.473 3.227 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CCOCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638588741 435055718 /nfs/dbraw/zinc/05/57/18/435055718.db2.gz MRFPLAHGYQFTNQ-UYAOXDASSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CCOCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638588741 435055723 /nfs/dbraw/zinc/05/57/23/435055723.db2.gz MRFPLAHGYQFTNQ-UYAOXDASSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000558623118 435100968 /nfs/dbraw/zinc/10/09/68/435100968.db2.gz RNOBTTUMGCDAIT-RBUKOAKNSA-N 2 1 314.473 3.057 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715955 435113225 /nfs/dbraw/zinc/11/32/25/435113225.db2.gz GZKXCOWRMGUVFD-HNBVOPMISA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715955 435113230 /nfs/dbraw/zinc/11/32/30/435113230.db2.gz GZKXCOWRMGUVFD-HNBVOPMISA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715955 435113235 /nfs/dbraw/zinc/11/32/35/435113235.db2.gz GZKXCOWRMGUVFD-HNBVOPMISA-N 3 1 321.553 3.349 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C1CCCCC1 ZINC000559145239 435123323 /nfs/dbraw/zinc/12/33/23/435123323.db2.gz GGMRXAAVKJZTTP-GGPKGHCWSA-N 2 1 321.553 3.161 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000531995027 435132507 /nfs/dbraw/zinc/13/25/07/435132507.db2.gz RQONQQDQURUNKZ-JCGIZDLHSA-N 2 1 323.912 3.263 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531995027 435132510 /nfs/dbraw/zinc/13/25/10/435132510.db2.gz RQONQQDQURUNKZ-JCGIZDLHSA-N 2 1 323.912 3.263 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000469983939 435132570 /nfs/dbraw/zinc/13/25/70/435132570.db2.gz RMHHVYZQKVXBII-HIFRSBDPSA-N 2 1 312.379 3.494 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000559896286 435141406 /nfs/dbraw/zinc/14/14/06/435141406.db2.gz YRZZXPWJZCCNNV-QZTJIDSGSA-N 2 1 320.525 3.398 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000559896286 435141408 /nfs/dbraw/zinc/14/14/08/435141408.db2.gz YRZZXPWJZCCNNV-QZTJIDSGSA-N 2 1 320.525 3.398 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639064857 435142674 /nfs/dbraw/zinc/14/26/74/435142674.db2.gz DKJOADHIXMBBFT-SJLPKXTDSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639064857 435142677 /nfs/dbraw/zinc/14/26/77/435142677.db2.gz DKJOADHIXMBBFT-SJLPKXTDSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000559896288 435143443 /nfs/dbraw/zinc/14/34/43/435143443.db2.gz YRZZXPWJZCCNNV-ZWKOTPCHSA-N 2 1 320.525 3.398 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000559896288 435143445 /nfs/dbraw/zinc/14/34/45/435143445.db2.gz YRZZXPWJZCCNNV-ZWKOTPCHSA-N 2 1 320.525 3.398 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000560028638 435145763 /nfs/dbraw/zinc/14/57/63/435145763.db2.gz UGIGGPMWZOJTCY-LJQANCHMSA-N 2 1 316.489 3.436 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)Oc1ccccc1 ZINC000639175350 435183833 /nfs/dbraw/zinc/18/38/33/435183833.db2.gz NLTLYBINTUOREW-UHFFFAOYSA-N 2 1 301.434 3.371 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)Oc1ccccc1 ZINC000639175350 435183838 /nfs/dbraw/zinc/18/38/38/435183838.db2.gz NLTLYBINTUOREW-UHFFFAOYSA-N 2 1 301.434 3.371 20 0 DGADMP CC[C@@](C)(C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639179176 435186789 /nfs/dbraw/zinc/18/67/89/435186789.db2.gz QTAWQDVGKQCQMF-IBGZPJMESA-N 2 1 304.478 3.398 20 0 DGADMP CC[C@@](C)(C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639179176 435186793 /nfs/dbraw/zinc/18/67/93/435186793.db2.gz QTAWQDVGKQCQMF-IBGZPJMESA-N 2 1 304.478 3.398 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475289457 435188485 /nfs/dbraw/zinc/18/84/85/435188485.db2.gz ZAFATDGIIZUCPB-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639220523 435202761 /nfs/dbraw/zinc/20/27/61/435202761.db2.gz DLMXCVNJWNCZJO-IMFGXOCKSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639220523 435202766 /nfs/dbraw/zinc/20/27/66/435202766.db2.gz DLMXCVNJWNCZJO-IMFGXOCKSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639220527 435203331 /nfs/dbraw/zinc/20/33/31/435203331.db2.gz DLMXCVNJWNCZJO-POAQFYNOSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639220527 435203335 /nfs/dbraw/zinc/20/33/35/435203335.db2.gz DLMXCVNJWNCZJO-POAQFYNOSA-N 2 1 316.489 3.353 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC000474620468 435154333 /nfs/dbraw/zinc/15/43/33/435154333.db2.gz WPHXYNQVNUZKMH-KEYYUXOJSA-N 2 1 320.477 3.126 20 0 DGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000474730353 435158543 /nfs/dbraw/zinc/15/85/43/435158543.db2.gz PFDLNAMNZLWTOV-IPMKNSEASA-N 2 1 310.526 3.418 20 0 DGADMP CC(C)(C)[C@]1(C[NH2+]CCCCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000639111792 435158919 /nfs/dbraw/zinc/15/89/19/435158919.db2.gz ZPAVSKIGFWZPKO-FQEVSTJZSA-N 2 1 318.505 3.287 20 0 DGADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC000639118190 435161696 /nfs/dbraw/zinc/16/16/96/435161696.db2.gz OJVARPQPBVHBLO-RBUKOAKNSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117200 435162856 /nfs/dbraw/zinc/16/28/56/435162856.db2.gz FXPGDPNYJMHETM-DJABAAGCSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117200 435162859 /nfs/dbraw/zinc/16/28/59/435162859.db2.gz FXPGDPNYJMHETM-DJABAAGCSA-N 2 1 314.473 3.369 20 0 DGADMP OCCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120652 435163966 /nfs/dbraw/zinc/16/39/66/435163966.db2.gz XWRGDHXVHQNLTE-PKOBYXMFSA-N 2 1 302.462 3.107 20 0 DGADMP OCCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120652 435163969 /nfs/dbraw/zinc/16/39/69/435163969.db2.gz XWRGDHXVHQNLTE-PKOBYXMFSA-N 2 1 302.462 3.107 20 0 DGADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(N)ccc2O1 ZINC000579581235 435165637 /nfs/dbraw/zinc/16/56/37/435165637.db2.gz YYZYXYAVSMWEOA-KRWDZBQOSA-N 2 1 315.461 3.087 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000532454194 435168130 /nfs/dbraw/zinc/16/81/30/435168130.db2.gz BDEWUCVDLMZTHP-WMLDXEAASA-N 2 1 315.486 3.282 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000532479744 435169978 /nfs/dbraw/zinc/16/99/78/435169978.db2.gz OCHWVFHBNRHBRD-YJBOKZPZSA-N 2 1 304.478 3.091 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000639142240 435172756 /nfs/dbraw/zinc/17/27/56/435172756.db2.gz WJSZHERIYGPVAX-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000639142240 435172760 /nfs/dbraw/zinc/17/27/60/435172760.db2.gz WJSZHERIYGPVAX-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000560583012 435182772 /nfs/dbraw/zinc/18/27/72/435182772.db2.gz NLMNGZUGWQBLQU-YSIASYRMSA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639288203 435230573 /nfs/dbraw/zinc/23/05/73/435230573.db2.gz DUNKKLZPROIFCO-SFHVURJKSA-N 2 1 303.494 3.080 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639299577 435235220 /nfs/dbraw/zinc/23/52/20/435235220.db2.gz RWSDHBMDFXOWQS-MJGOQNOKSA-N 2 1 314.473 3.371 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639299577 435235229 /nfs/dbraw/zinc/23/52/29/435235229.db2.gz RWSDHBMDFXOWQS-MJGOQNOKSA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000562019424 435245237 /nfs/dbraw/zinc/24/52/37/435245237.db2.gz LVFGMBOWNHCBCN-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639357086 435260654 /nfs/dbraw/zinc/26/06/54/435260654.db2.gz NDXWVSYNLQEMNH-PSBWJHGTSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639357086 435260659 /nfs/dbraw/zinc/26/06/59/435260659.db2.gz NDXWVSYNLQEMNH-PSBWJHGTSA-N 2 1 300.446 3.122 20 0 DGADMP [NH3+]C1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000642998849 435259174 /nfs/dbraw/zinc/25/91/74/435259174.db2.gz VSMVYFHQDSFQDY-UHFFFAOYSA-N 2 1 320.234 3.101 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000639337128 435253320 /nfs/dbraw/zinc/25/33/20/435253320.db2.gz JZTASLBHMBCNSH-KRWDZBQOSA-N 2 1 324.472 3.150 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000639337128 435253324 /nfs/dbraw/zinc/25/33/24/435253324.db2.gz JZTASLBHMBCNSH-KRWDZBQOSA-N 2 1 324.472 3.150 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000534064523 435265793 /nfs/dbraw/zinc/26/57/93/435265793.db2.gz TVIJBCGTILBDPI-ZRSRNVLSSA-N 2 1 320.521 3.292 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CS1 ZINC000639360279 435266620 /nfs/dbraw/zinc/26/66/20/435266620.db2.gz UQYMCUWIZHAXRX-LMSBXDPUSA-N 2 1 304.503 3.238 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000584176115 435281323 /nfs/dbraw/zinc/28/13/23/435281323.db2.gz WOUJJFBDHSPRHT-USXIJHARSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000584176115 435281328 /nfs/dbraw/zinc/28/13/28/435281328.db2.gz WOUJJFBDHSPRHT-USXIJHARSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000584176114 435282528 /nfs/dbraw/zinc/28/25/28/435282528.db2.gz WOUJJFBDHSPRHT-UAGQMJEPSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000584176114 435282531 /nfs/dbraw/zinc/28/25/31/435282531.db2.gz WOUJJFBDHSPRHT-UAGQMJEPSA-N 2 1 311.429 3.209 20 0 DGADMP c1cc(C[NH+]2C3CCCC2CCC3)ccc1C[NH+]1CCOCC1 ZINC000643250777 435284366 /nfs/dbraw/zinc/28/43/66/435284366.db2.gz VSXXYQATUUBUCD-UHFFFAOYSA-N 2 1 314.473 3.426 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000643253097 435284677 /nfs/dbraw/zinc/28/46/77/435284677.db2.gz KBSBVGZBFFEQNF-HXUWFJFHSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000643253097 435284679 /nfs/dbraw/zinc/28/46/79/435284679.db2.gz KBSBVGZBFFEQNF-HXUWFJFHSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+](CC2CC[NH2+]CC2)C2CCCC2)cc2c1OCO2 ZINC000648400492 435288004 /nfs/dbraw/zinc/28/80/04/435288004.db2.gz YANSENDJQVVGBV-UHFFFAOYSA-N 2 1 316.445 3.160 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cc(C)ccc2C)C1 ZINC000478039125 435289484 /nfs/dbraw/zinc/28/94/84/435289484.db2.gz FPJDWKSOAVBPQD-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cc(C)ccc2C)C1 ZINC000478039125 435289490 /nfs/dbraw/zinc/28/94/90/435289490.db2.gz FPJDWKSOAVBPQD-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cc(C)ccc2C)C1 ZINC000478039125 435289494 /nfs/dbraw/zinc/28/94/94/435289494.db2.gz FPJDWKSOAVBPQD-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cc(C)ccc2C)C1 ZINC000478039125 435289501 /nfs/dbraw/zinc/28/95/01/435289501.db2.gz FPJDWKSOAVBPQD-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)[NH+]1CCCCC1 ZINC000184510587 298440267 /nfs/dbraw/zinc/44/02/67/298440267.db2.gz OXLUMQXBMMPGEB-VVBPWWLESA-N 2 1 322.518 3.339 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCO1 ZINC000648435698 435299044 /nfs/dbraw/zinc/29/90/44/435299044.db2.gz LOYAQNCZJIWXLL-CVEARBPZSA-N 2 1 317.408 3.367 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(Cc2nc(C3CCC3)no2)CC1 ZINC000639455310 435303181 /nfs/dbraw/zinc/30/31/81/435303181.db2.gz NZPHDSKVTSVUJK-UHFFFAOYSA-N 2 1 320.481 3.281 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000639358715 435261942 /nfs/dbraw/zinc/26/19/42/435261942.db2.gz AEFRKROTXOJXFU-BHIYHBOVSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000639358945 435263356 /nfs/dbraw/zinc/26/33/56/435263356.db2.gz GGANWJHHLJMUKY-PXNSSMCTSA-N 2 1 316.489 3.161 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccns1 ZINC000639359207 435263519 /nfs/dbraw/zinc/26/35/19/435263519.db2.gz JDRINXIAOZBQNK-ZBFHGGJFSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccns1 ZINC000639359207 435263523 /nfs/dbraw/zinc/26/35/23/435263523.db2.gz JDRINXIAOZBQNK-ZBFHGGJFSA-N 2 1 301.459 3.001 20 0 DGADMP CCOC1CC(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000639359445 435263664 /nfs/dbraw/zinc/26/36/64/435263664.db2.gz NGUFISLCHHIUBZ-VHBXLISGSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000639497522 435321861 /nfs/dbraw/zinc/32/18/61/435321861.db2.gz RQODVMXDJPDROV-SFHVURJKSA-N 2 1 301.478 3.457 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000639497522 435321863 /nfs/dbraw/zinc/32/18/63/435321863.db2.gz RQODVMXDJPDROV-SFHVURJKSA-N 2 1 301.478 3.457 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CCOC3)C[C@H]1C ZINC000639509451 435324581 /nfs/dbraw/zinc/32/45/81/435324581.db2.gz CBMNWJQJOQLHHA-QAPCUYQASA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2CCOC3)C[C@H]1C ZINC000639509451 435324585 /nfs/dbraw/zinc/32/45/85/435324585.db2.gz CBMNWJQJOQLHHA-QAPCUYQASA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2CCOC3)C[C@H]1C ZINC000639509451 435324588 /nfs/dbraw/zinc/32/45/88/435324588.db2.gz CBMNWJQJOQLHHA-QAPCUYQASA-N 2 1 302.462 3.064 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C2CCCCC2)cc1 ZINC000479263932 435325272 /nfs/dbraw/zinc/32/52/72/435325272.db2.gz AELPLNWFTYUTSH-OALUTQOASA-N 2 1 304.478 3.129 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639517676 435326189 /nfs/dbraw/zinc/32/61/89/435326189.db2.gz MONSBCAZEREPIR-MRXNPFEDSA-N 2 1 317.477 3.264 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639517674 435328155 /nfs/dbraw/zinc/32/81/55/435328155.db2.gz MONSBCAZEREPIR-INIZCTEOSA-N 2 1 317.477 3.264 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000643466764 435332093 /nfs/dbraw/zinc/33/20/93/435332093.db2.gz MOIQIBFPEQWTQZ-MEDUHNTESA-N 2 1 317.820 3.286 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000567628875 435336438 /nfs/dbraw/zinc/33/64/38/435336438.db2.gz GQPDWRSPTOVJSG-UGSOOPFHSA-N 2 1 306.425 3.217 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CC2)c(F)c1 ZINC000567628875 435336444 /nfs/dbraw/zinc/33/64/44/435336444.db2.gz GQPDWRSPTOVJSG-UGSOOPFHSA-N 2 1 306.425 3.217 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000643529373 435345057 /nfs/dbraw/zinc/34/50/57/435345057.db2.gz YZURKZZFJRHDJX-KRTXAFLBSA-N 2 1 303.631 3.027 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C2CCCC2)c1 ZINC000643547340 435349321 /nfs/dbraw/zinc/34/93/21/435349321.db2.gz DBJQSIBBMRNVCZ-GDBMZVCRSA-N 2 1 302.466 3.324 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548898 435352438 /nfs/dbraw/zinc/35/24/38/435352438.db2.gz XBUJLUZXBOTWSH-ZBFHGGJFSA-N 2 1 304.409 3.304 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000639579907 435354184 /nfs/dbraw/zinc/35/41/84/435354184.db2.gz ISFJDXOOICPHQR-SQIBXOBRSA-N 2 1 316.489 3.158 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000535810040 435357428 /nfs/dbraw/zinc/35/74/28/435357428.db2.gz XDSRZAGXISLUQD-SLFFLAALSA-N 2 1 316.489 3.494 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512649100 435363391 /nfs/dbraw/zinc/36/33/91/435363391.db2.gz QIBUEWSLWFHQRB-IPMKNSEASA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000567402098 435314254 /nfs/dbraw/zinc/31/42/54/435314254.db2.gz HXKKKJLULMVUTQ-SFHVURJKSA-N 2 1 315.461 3.218 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536695396 435405934 /nfs/dbraw/zinc/40/59/34/435405934.db2.gz AQNBOSBNSXQKEL-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536695396 435405940 /nfs/dbraw/zinc/40/59/40/435405940.db2.gz AQNBOSBNSXQKEL-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000536695396 435405946 /nfs/dbraw/zinc/40/59/46/435405946.db2.gz AQNBOSBNSXQKEL-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000536695396 435405951 /nfs/dbraw/zinc/40/59/51/435405951.db2.gz AQNBOSBNSXQKEL-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3Br)C2)CC1 ZINC000639760330 435408742 /nfs/dbraw/zinc/40/87/42/435408742.db2.gz VGACFOJTUQWNPR-UHFFFAOYSA-N 2 1 323.278 3.367 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3csc(C(C)(C)C)n3)C2)CC1 ZINC000639760389 435409905 /nfs/dbraw/zinc/40/99/05/435409905.db2.gz WQKJEUCHXUMWPT-UHFFFAOYSA-N 2 1 307.507 3.358 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237757 435411230 /nfs/dbraw/zinc/41/12/30/435411230.db2.gz FJKQXYDAPCQAQE-WMLDXEAASA-N 2 1 317.433 3.436 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237757 435411235 /nfs/dbraw/zinc/41/12/35/435411235.db2.gz FJKQXYDAPCQAQE-WMLDXEAASA-N 2 1 317.433 3.436 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095972 435376277 /nfs/dbraw/zinc/37/62/77/435376277.db2.gz ROXKDAFVYQMFHF-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095972 435376280 /nfs/dbraw/zinc/37/62/80/435376280.db2.gz ROXKDAFVYQMFHF-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513095972 435376284 /nfs/dbraw/zinc/37/62/84/435376284.db2.gz ROXKDAFVYQMFHF-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513095972 435376285 /nfs/dbraw/zinc/37/62/85/435376285.db2.gz ROXKDAFVYQMFHF-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513511936 435392214 /nfs/dbraw/zinc/39/22/14/435392214.db2.gz MACYVYNAWJDEHD-IEBWSBKVSA-N 2 1 309.457 3.472 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C2CC2)c1 ZINC000513488379 435392488 /nfs/dbraw/zinc/39/24/88/435392488.db2.gz TZCPPEMZFNYJIU-IBGZPJMESA-N 2 1 304.478 3.336 20 0 DGADMP c1cc(CCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639701875 435397092 /nfs/dbraw/zinc/39/70/92/435397092.db2.gz FKEWYHYIIDQZOB-UHFFFAOYSA-N 2 1 301.459 3.288 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644531073 435448005 /nfs/dbraw/zinc/44/80/05/435448005.db2.gz ZDXGOOFGFPBTPM-UXHICEINSA-N 2 1 318.505 3.285 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000644546217 435452677 /nfs/dbraw/zinc/45/26/77/435452677.db2.gz ZZEQSZQLIJRZMY-XVAXZDLZSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000644546217 435452680 /nfs/dbraw/zinc/45/26/80/435452680.db2.gz ZZEQSZQLIJRZMY-XVAXZDLZSA-N 2 1 324.468 3.015 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2cccc(C)n2)CC1 ZINC000639987179 435481148 /nfs/dbraw/zinc/48/11/48/435481148.db2.gz FOLOLHGQNCNKCD-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000568856654 435476354 /nfs/dbraw/zinc/47/63/54/435476354.db2.gz NTCMCBAJLIIVTM-NSHDSACASA-N 2 1 302.447 3.046 20 0 DGADMP CC(C)CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000514688931 435429645 /nfs/dbraw/zinc/42/96/45/435429645.db2.gz PPXJXMFNWBDHNQ-GOSISDBHSA-N 2 1 311.558 3.455 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639983351 435480035 /nfs/dbraw/zinc/48/00/35/435480035.db2.gz FFHUWOSQFVOWHO-UHFFFAOYSA-N 2 1 314.473 3.210 20 0 DGADMP COc1cccc2c(N3CCC(C[NH+](C)C)CC3)cc(C)[nH+]c12 ZINC000481687563 435439293 /nfs/dbraw/zinc/43/92/93/435439293.db2.gz BIFSNTPUJBSVTJ-UHFFFAOYSA-N 2 1 313.445 3.330 20 0 DGADMP CCc1noc(C2CCC([NH2+]CC[N@@H+]3CCCC3(C)C)CC2)n1 ZINC000648871132 435444040 /nfs/dbraw/zinc/44/40/40/435444040.db2.gz ASNUTJDYVPMSLL-UHFFFAOYSA-N 2 1 320.481 3.122 20 0 DGADMP CCc1noc(C2CCC([NH2+]CC[N@H+]3CCCC3(C)C)CC2)n1 ZINC000648871132 435444050 /nfs/dbraw/zinc/44/40/50/435444050.db2.gz ASNUTJDYVPMSLL-UHFFFAOYSA-N 2 1 320.481 3.122 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000538507953 435504973 /nfs/dbraw/zinc/50/49/73/435504973.db2.gz OCUQCHNHBGQMEB-MOPGFXCFSA-N 2 1 314.473 3.222 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000569119139 435506788 /nfs/dbraw/zinc/50/67/88/435506788.db2.gz YSJNYJUVOKRNHD-RDJZCZTQSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000569119139 435506794 /nfs/dbraw/zinc/50/67/94/435506794.db2.gz YSJNYJUVOKRNHD-RDJZCZTQSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000569119139 435506797 /nfs/dbraw/zinc/50/67/97/435506797.db2.gz YSJNYJUVOKRNHD-RDJZCZTQSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000569119139 435506801 /nfs/dbraw/zinc/50/68/01/435506801.db2.gz YSJNYJUVOKRNHD-RDJZCZTQSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000569119139 435506806 /nfs/dbraw/zinc/50/68/06/435506806.db2.gz YSJNYJUVOKRNHD-RDJZCZTQSA-N 2 1 321.896 3.335 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483464355 435519988 /nfs/dbraw/zinc/51/99/88/435519988.db2.gz DOFYCFZNWGOJKL-ICSRJNTNSA-N 2 1 316.489 3.488 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220206 435521603 /nfs/dbraw/zinc/52/16/03/435521603.db2.gz NWUFAVVNENAGEL-RHSMWYFYSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220206 435521609 /nfs/dbraw/zinc/52/16/09/435521609.db2.gz NWUFAVVNENAGEL-RHSMWYFYSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220206 435521613 /nfs/dbraw/zinc/52/16/13/435521613.db2.gz NWUFAVVNENAGEL-RHSMWYFYSA-N 2 1 310.844 3.438 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)c2ccccc21 ZINC000569330340 435524635 /nfs/dbraw/zinc/52/46/35/435524635.db2.gz QDQFUVJTADWXTD-DTTSREJYSA-N 2 1 322.452 3.277 20 0 DGADMP CC[NH+]1CCC(N(C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483952946 435534146 /nfs/dbraw/zinc/53/41/46/435534146.db2.gz ILMJGGZOMKZZNE-UHFFFAOYSA-N 2 1 314.832 3.274 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483952946 435534148 /nfs/dbraw/zinc/53/41/48/435534148.db2.gz ILMJGGZOMKZZNE-UHFFFAOYSA-N 2 1 314.832 3.274 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483952946 435534151 /nfs/dbraw/zinc/53/41/51/435534151.db2.gz ILMJGGZOMKZZNE-UHFFFAOYSA-N 2 1 314.832 3.274 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2c(C)cccc2C)CC1 ZINC000484917285 435555561 /nfs/dbraw/zinc/55/55/61/435555561.db2.gz HQZQMPHJGFERLO-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc2cc[nH+]c(NC[C@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000569717224 435555608 /nfs/dbraw/zinc/55/56/08/435555608.db2.gz XGNKQDJEXFWUJU-KRWDZBQOSA-N 2 1 313.445 3.048 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2c(C)cccc2C)C[C@H]1C ZINC000484921614 435555896 /nfs/dbraw/zinc/55/58/96/435555896.db2.gz PZAGZVVVRJUXGT-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2c(C)cccc2C)C[C@H]1C ZINC000484921614 435555900 /nfs/dbraw/zinc/55/59/00/435555900.db2.gz PZAGZVVVRJUXGT-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2c(C)cccc2C)C[C@H]1C ZINC000484921614 435555905 /nfs/dbraw/zinc/55/59/05/435555905.db2.gz PZAGZVVVRJUXGT-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@H]3CCCO3)C2)s1 ZINC000516995881 435567411 /nfs/dbraw/zinc/56/74/11/435567411.db2.gz GKVJOBKAEVHPHJ-DLBZAZTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@H]3CCCO3)C2)s1 ZINC000516995881 435567415 /nfs/dbraw/zinc/56/74/15/435567415.db2.gz GKVJOBKAEVHPHJ-DLBZAZTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@H]3CCCO3)C2)s1 ZINC000516995881 435567423 /nfs/dbraw/zinc/56/74/23/435567423.db2.gz GKVJOBKAEVHPHJ-DLBZAZTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1[nH]c2nc[nH+]c(N3CCC(CCC[NH+](C)C)CC3)c2c1C ZINC000645203240 435592423 /nfs/dbraw/zinc/59/24/23/435592423.db2.gz JSZGTOHVVCELGN-UHFFFAOYSA-N 2 1 315.465 3.133 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nc2c(s1)CCCC2 ZINC000649413590 435579837 /nfs/dbraw/zinc/57/98/37/435579837.db2.gz NWLSISKKTQFKNR-UHFFFAOYSA-N 2 1 307.507 3.234 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000649416598 435583380 /nfs/dbraw/zinc/58/33/80/435583380.db2.gz FWFKWNOBUHUEAK-CRAIPNDOSA-N 2 1 311.429 3.433 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000649416598 435583382 /nfs/dbraw/zinc/58/33/82/435583382.db2.gz FWFKWNOBUHUEAK-CRAIPNDOSA-N 2 1 311.429 3.433 20 0 DGADMP CCCc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418066 435583909 /nfs/dbraw/zinc/58/39/09/435583909.db2.gz ZTKQEKORPKBSCL-GJZGRUSLSA-N 2 1 307.507 3.307 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000645188553 435587415 /nfs/dbraw/zinc/58/74/15/435587415.db2.gz NDXQYRNGLNUNAI-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000645188553 435587417 /nfs/dbraw/zinc/58/74/17/435587417.db2.gz NDXQYRNGLNUNAI-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000645188553 435587419 /nfs/dbraw/zinc/58/74/19/435587419.db2.gz NDXQYRNGLNUNAI-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000539122061 435540922 /nfs/dbraw/zinc/54/09/22/435540922.db2.gz COQNLIXZDXMLTN-UNEWFSDZSA-N 2 1 310.869 3.427 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1O ZINC000516604586 435542019 /nfs/dbraw/zinc/54/20/19/435542019.db2.gz ZCWJNMXCSPHNMK-WBVHZDCISA-N 2 1 320.477 3.042 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000517754891 435610665 /nfs/dbraw/zinc/61/06/65/435610665.db2.gz IBPWCKPFEOSKHY-QAPCUYQASA-N 2 1 323.440 3.251 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548248 435622441 /nfs/dbraw/zinc/62/24/41/435622441.db2.gz QZPDQFBMMFAUON-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548248 435622444 /nfs/dbraw/zinc/62/24/44/435622444.db2.gz QZPDQFBMMFAUON-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000649548248 435622447 /nfs/dbraw/zinc/62/24/47/435622447.db2.gz QZPDQFBMMFAUON-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000649548248 435622451 /nfs/dbraw/zinc/62/24/51/435622451.db2.gz QZPDQFBMMFAUON-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000541066436 435637242 /nfs/dbraw/zinc/63/72/42/435637242.db2.gz DWIGOPUTRAUVGP-KRWDZBQOSA-N 2 1 312.498 3.016 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1sccc1Br ZINC000570507649 435626745 /nfs/dbraw/zinc/62/67/45/435626745.db2.gz YJGQFUAYCCRJIR-NXEZZACHSA-N 2 1 303.269 3.303 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000517630456 435602941 /nfs/dbraw/zinc/60/29/41/435602941.db2.gz GWSRAOGJGAPHPS-NLWGTHIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517630456 435602948 /nfs/dbraw/zinc/60/29/48/435602948.db2.gz GWSRAOGJGAPHPS-NLWGTHIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517630456 435602949 /nfs/dbraw/zinc/60/29/49/435602949.db2.gz GWSRAOGJGAPHPS-NLWGTHIKSA-N 2 1 317.521 3.358 20 0 DGADMP Cc1[nH]c2nc[nH+]c(NCCCCC[NH+]3CCCC3)c2c1C ZINC000645249113 435603734 /nfs/dbraw/zinc/60/37/34/435603734.db2.gz MNKINNIOVYFSND-UHFFFAOYSA-N 2 1 301.438 3.253 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000570928170 435662818 /nfs/dbraw/zinc/66/28/18/435662818.db2.gz UIVYFGVZZFIVHJ-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccn21 ZINC000570932081 435664845 /nfs/dbraw/zinc/66/48/45/435664845.db2.gz JDBJDMBJHAFNMB-HUUCEWRRSA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccn21 ZINC000570932081 435664848 /nfs/dbraw/zinc/66/48/48/435664848.db2.gz JDBJDMBJHAFNMB-HUUCEWRRSA-N 2 1 312.461 3.173 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155618 435672783 /nfs/dbraw/zinc/67/27/83/435672783.db2.gz DEBWUWSKOIPAJA-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155618 435672785 /nfs/dbraw/zinc/67/27/85/435672785.db2.gz DEBWUWSKOIPAJA-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155618 435672790 /nfs/dbraw/zinc/67/27/90/435672790.db2.gz DEBWUWSKOIPAJA-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000571058243 435673634 /nfs/dbraw/zinc/67/36/34/435673634.db2.gz QUNVCCJMYWDINZ-QGZVFWFLSA-N 2 1 313.445 3.068 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000571058243 435673638 /nfs/dbraw/zinc/67/36/38/435673638.db2.gz QUNVCCJMYWDINZ-QGZVFWFLSA-N 2 1 313.445 3.068 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000571368139 435701833 /nfs/dbraw/zinc/70/18/33/435701833.db2.gz QDMDSFBKCZKMJE-IXDOHACOSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000571368139 435701838 /nfs/dbraw/zinc/70/18/38/435701838.db2.gz QDMDSFBKCZKMJE-IXDOHACOSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccncc2C)CC1 ZINC000571758004 435734379 /nfs/dbraw/zinc/73/43/79/435734379.db2.gz JPQXWBPVBCTCFB-UHFFFAOYSA-N 2 1 303.494 3.376 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655702195 435736338 /nfs/dbraw/zinc/73/63/38/435736338.db2.gz ZGSGPEOTFIPLFA-QFBILLFUSA-N 2 1 302.462 3.023 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655703869 435736443 /nfs/dbraw/zinc/73/64/43/435736443.db2.gz XHHXMMIRUSAXKV-APWZRJJASA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655703869 435736450 /nfs/dbraw/zinc/73/64/50/435736450.db2.gz XHHXMMIRUSAXKV-APWZRJJASA-N 2 1 324.472 3.348 20 0 DGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655714594 435742186 /nfs/dbraw/zinc/74/21/86/435742186.db2.gz AJNOXCCPGMPIAJ-LMMKCTJWSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000655712100 435742628 /nfs/dbraw/zinc/74/26/28/435742628.db2.gz POGOOZODFRLVIH-OALUTQOASA-N 2 1 316.489 3.117 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000651491434 435745190 /nfs/dbraw/zinc/74/51/90/435745190.db2.gz LQABUGUVWDNZMC-LBPRGKRZSA-N 2 1 303.406 3.058 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000651490093 435745209 /nfs/dbraw/zinc/74/52/09/435745209.db2.gz ZEMQAODVXJCUIO-JZXOWHBKSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1cccs1 ZINC000655720281 435747071 /nfs/dbraw/zinc/74/70/71/435747071.db2.gz SBMYMAHMFWHJKD-WBVHZDCISA-N 2 1 322.518 3.160 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1cccs1 ZINC000655720279 435747702 /nfs/dbraw/zinc/74/77/02/435747702.db2.gz SBMYMAHMFWHJKD-NVXWUHKLSA-N 2 1 322.518 3.160 20 0 DGADMP CCc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655723083 435751561 /nfs/dbraw/zinc/75/15/61/435751561.db2.gz GUKMMHXNOOIOQD-FQEVSTJZSA-N 2 1 316.489 3.025 20 0 DGADMP CCCOc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660460827 435759150 /nfs/dbraw/zinc/75/91/50/435759150.db2.gz IQHVVQDSECBJNV-KRWDZBQOSA-N 2 1 322.493 3.001 20 0 DGADMP CCCOc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660460827 435759154 /nfs/dbraw/zinc/75/91/54/435759154.db2.gz IQHVVQDSECBJNV-KRWDZBQOSA-N 2 1 322.493 3.001 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCC[C@H]3CCOC3)CC2)n2c1CCCC2 ZINC000645895045 435714341 /nfs/dbraw/zinc/71/43/41/435714341.db2.gz UEUVYNLGNBTLPI-INIZCTEOSA-N 2 1 317.477 3.216 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC2CCC1CC2 ZINC000655779866 435792654 /nfs/dbraw/zinc/79/26/54/435792654.db2.gz SVQMQSKFGSZGCN-AKSNENBUSA-N 2 1 306.494 3.046 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000550142844 435795636 /nfs/dbraw/zinc/79/56/36/435795636.db2.gz KCMTVHNZJHLSNZ-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000550142844 435795640 /nfs/dbraw/zinc/79/56/40/435795640.db2.gz KCMTVHNZJHLSNZ-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000660539841 435796385 /nfs/dbraw/zinc/79/63/85/435796385.db2.gz OTPHMSFRWVQGOJ-OAQYLSRUSA-N 2 1 321.468 3.367 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000660539841 435796391 /nfs/dbraw/zinc/79/63/91/435796391.db2.gz OTPHMSFRWVQGOJ-OAQYLSRUSA-N 2 1 321.468 3.367 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000660539841 435796398 /nfs/dbraw/zinc/79/63/98/435796398.db2.gz OTPHMSFRWVQGOJ-OAQYLSRUSA-N 2 1 321.468 3.367 20 0 DGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000641720805 435798536 /nfs/dbraw/zinc/79/85/36/435798536.db2.gz SIBVTOFRSBNQTF-MRXNPFEDSA-N 2 1 312.461 3.001 20 0 DGADMP CCn1cc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733178 435802271 /nfs/dbraw/zinc/80/22/71/435802271.db2.gz GRVBVFVJQVGYJY-QAPCUYQASA-N 2 1 324.472 3.285 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551039664 435820247 /nfs/dbraw/zinc/82/02/47/435820247.db2.gz UARXSMWDWDFVSW-QRQLOZEOSA-N 2 1 304.478 3.210 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551039664 435820252 /nfs/dbraw/zinc/82/02/52/435820252.db2.gz UARXSMWDWDFVSW-QRQLOZEOSA-N 2 1 304.478 3.210 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000572026562 435768545 /nfs/dbraw/zinc/76/85/45/435768545.db2.gz YSZCBHBXEVEGNH-SNVBAGLBSA-N 2 1 303.269 3.087 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3CC(F)(F)C3)sc2C1 ZINC000491587736 435773776 /nfs/dbraw/zinc/77/37/76/435773776.db2.gz BGRHBBJWMFWUFF-UHFFFAOYSA-N 2 1 315.433 3.045 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3CC(F)(F)C3)sc2C1 ZINC000491587736 435773788 /nfs/dbraw/zinc/77/37/88/435773788.db2.gz BGRHBBJWMFWUFF-UHFFFAOYSA-N 2 1 315.433 3.045 20 0 DGADMP c1c2cnccc2oc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000651650953 435776258 /nfs/dbraw/zinc/77/62/58/435776258.db2.gz GHERSIZAQXEGJV-KDOFPFPSSA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000651650953 435776278 /nfs/dbraw/zinc/77/62/78/435776278.db2.gz GHERSIZAQXEGJV-KDOFPFPSSA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000651650953 435776286 /nfs/dbraw/zinc/77/62/86/435776286.db2.gz GHERSIZAQXEGJV-KDOFPFPSSA-N 2 1 311.429 3.277 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000549823285 435778782 /nfs/dbraw/zinc/77/87/82/435778782.db2.gz PLGVUHRYKNJJHT-KURKYZTESA-N 2 1 324.509 3.353 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000549823285 435778789 /nfs/dbraw/zinc/77/87/89/435778789.db2.gz PLGVUHRYKNJJHT-KURKYZTESA-N 2 1 324.509 3.353 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000655818499 435821005 /nfs/dbraw/zinc/82/10/05/435821005.db2.gz TVDBWAXQUNBFFN-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000655818499 435821011 /nfs/dbraw/zinc/82/10/11/435821011.db2.gz TVDBWAXQUNBFFN-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3ccccc31)CCO2 ZINC000646102430 435781183 /nfs/dbraw/zinc/78/11/83/435781183.db2.gz JPDNTUMCHFZYDN-UHFFFAOYSA-N 2 1 310.441 3.136 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CCO2 ZINC000646102787 435782824 /nfs/dbraw/zinc/78/28/24/435782824.db2.gz RNTDUJIGFPRJGS-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP c1ccc(C2CC(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655766589 435784063 /nfs/dbraw/zinc/78/40/63/435784063.db2.gz SBOQTVLVLLFQFJ-NLPFYKDJSA-N 2 1 314.473 3.023 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn21 ZINC000551329253 435830183 /nfs/dbraw/zinc/83/01/83/435830183.db2.gz ZWFDWMKLESZIQG-CVEARBPZSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn21 ZINC000551329253 435830189 /nfs/dbraw/zinc/83/01/89/435830189.db2.gz ZWFDWMKLESZIQG-CVEARBPZSA-N 2 1 314.477 3.372 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385972 435834347 /nfs/dbraw/zinc/83/43/47/435834347.db2.gz VFPPLXPJFJJSFH-PKOBYXMFSA-N 2 1 316.489 3.398 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000641821664 435835036 /nfs/dbraw/zinc/83/50/36/435835036.db2.gz NSNQPUOJWVZKJQ-MRXNPFEDSA-N 2 1 305.466 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CO1 ZINC000572521399 435835066 /nfs/dbraw/zinc/83/50/66/435835066.db2.gz GNIUDYZZTZQQPM-ZKIDJSGLSA-N 2 1 314.473 3.197 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2cnccc2o1 ZINC000651810398 435835588 /nfs/dbraw/zinc/83/55/88/435835588.db2.gz USTJSVWCUBODPI-UHFFFAOYSA-N 2 1 312.417 3.499 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2cnccc2o1 ZINC000651810398 435835600 /nfs/dbraw/zinc/83/56/00/435835600.db2.gz USTJSVWCUBODPI-UHFFFAOYSA-N 2 1 312.417 3.499 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H](C)C[N@@H+](C)C(C)C)c2ccccn21 ZINC000651814054 435836130 /nfs/dbraw/zinc/83/61/30/435836130.db2.gz HVTDRLPKASHHFX-OAHLLOKOSA-N 2 1 302.466 3.276 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCSc1ccccc1F)C2 ZINC000660654240 435842249 /nfs/dbraw/zinc/84/22/49/435842249.db2.gz GBCQHRPUDVXZPN-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1nc3ccccc3s1)C2 ZINC000660655450 435844995 /nfs/dbraw/zinc/84/49/95/435844995.db2.gz NGCHIYJODYYNNT-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662387 435846839 /nfs/dbraw/zinc/84/68/39/435846839.db2.gz JMINAAXXKPMZQX-ZWKOTPCHSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662387 435846842 /nfs/dbraw/zinc/84/68/42/435846842.db2.gz JMINAAXXKPMZQX-ZWKOTPCHSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662387 435846849 /nfs/dbraw/zinc/84/68/49/435846849.db2.gz JMINAAXXKPMZQX-ZWKOTPCHSA-N 2 1 322.880 3.445 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659790 435849316 /nfs/dbraw/zinc/84/93/16/435849316.db2.gz QXUIPEDUQVRPIA-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659790 435849323 /nfs/dbraw/zinc/84/93/23/435849323.db2.gz QXUIPEDUQVRPIA-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659790 435849335 /nfs/dbraw/zinc/84/93/35/435849335.db2.gz QXUIPEDUQVRPIA-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659790 435849338 /nfs/dbraw/zinc/84/93/38/435849338.db2.gz QXUIPEDUQVRPIA-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000572642169 435850116 /nfs/dbraw/zinc/85/01/16/435850116.db2.gz RUUCRLWBOUDSLW-DABHTEOTSA-N 2 1 314.473 3.054 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000572631844 435850932 /nfs/dbraw/zinc/85/09/32/435850932.db2.gz JEDDMHOZKXFVBR-GDBMZVCRSA-N 2 1 308.491 3.026 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000572631844 435850938 /nfs/dbraw/zinc/85/09/38/435850938.db2.gz JEDDMHOZKXFVBR-GDBMZVCRSA-N 2 1 308.491 3.026 20 0 DGADMP CC(C)OC1CC([NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660679209 435856498 /nfs/dbraw/zinc/85/64/98/435856498.db2.gz JEOWMABMKOTQEP-UHFFFAOYSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000552086459 435878524 /nfs/dbraw/zinc/87/85/24/435878524.db2.gz HVIOXDZTQSOWJA-BLLLJJGKSA-N 2 1 312.404 3.052 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2noc3ccccc32)C[C@H]1c1ccccc1 ZINC000655940247 435866120 /nfs/dbraw/zinc/86/61/20/435866120.db2.gz ZISUNVDYGGOORX-AEFFLSMTSA-N 2 1 321.424 3.045 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045292 435876781 /nfs/dbraw/zinc/87/67/81/435876781.db2.gz BVSJBRRGDLJDRD-HUUCEWRRSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045292 435876782 /nfs/dbraw/zinc/87/67/82/435876782.db2.gz BVSJBRRGDLJDRD-HUUCEWRRSA-N 2 1 322.493 3.263 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000572404704 435823565 /nfs/dbraw/zinc/82/35/65/435823565.db2.gz UWMRONSRFGUTBQ-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)c1nc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c2ccccn21 ZINC000651786678 435825164 /nfs/dbraw/zinc/82/51/64/435825164.db2.gz HVTSLBWYFFIAKZ-OAHLLOKOSA-N 2 1 323.444 3.006 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000641796757 435826305 /nfs/dbraw/zinc/82/63/05/435826305.db2.gz JDNHUMYEGIMRGE-UHFFFAOYSA-N 2 1 311.429 3.366 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000641796757 435826310 /nfs/dbraw/zinc/82/63/10/435826310.db2.gz JDNHUMYEGIMRGE-UHFFFAOYSA-N 2 1 311.429 3.366 20 0 DGADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552196253 435888796 /nfs/dbraw/zinc/88/87/96/435888796.db2.gz QHBOUIUVUGRLKJ-PBWFPOADSA-N 2 1 322.836 3.126 20 0 DGADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552196253 435888800 /nfs/dbraw/zinc/88/88/00/435888800.db2.gz QHBOUIUVUGRLKJ-PBWFPOADSA-N 2 1 322.836 3.126 20 0 DGADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000552196253 435888804 /nfs/dbraw/zinc/88/88/04/435888804.db2.gz QHBOUIUVUGRLKJ-PBWFPOADSA-N 2 1 322.836 3.126 20 0 DGADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000552196253 435888807 /nfs/dbraw/zinc/88/88/07/435888807.db2.gz QHBOUIUVUGRLKJ-PBWFPOADSA-N 2 1 322.836 3.126 20 0 DGADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665237758 435925374 /nfs/dbraw/zinc/92/53/74/435925374.db2.gz JIEZXMBJGGSYHP-DJIMGWMZSA-N 2 1 318.461 3.104 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665248749 435928776 /nfs/dbraw/zinc/92/87/76/435928776.db2.gz BRLSVMVCGWGNDT-GFCCVEGCSA-N 2 1 316.474 3.436 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000665255664 435930956 /nfs/dbraw/zinc/93/09/56/435930956.db2.gz YWUIZLYIVREJFU-CZAUZLFCSA-N 2 1 302.462 3.165 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H]2C)cc1F ZINC000665258590 435931784 /nfs/dbraw/zinc/93/17/84/435931784.db2.gz FJRCZUIKHCGLHY-UOJCXKCYSA-N 2 1 306.425 3.058 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)C1CC1 ZINC000665260173 435931930 /nfs/dbraw/zinc/93/19/30/435931930.db2.gz YICJQJBRPZQSPP-HYVNUMGLSA-N 2 1 306.425 3.058 20 0 DGADMP C1C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000665268890 435934119 /nfs/dbraw/zinc/93/41/19/435934119.db2.gz XJGSCCNMIBHSGA-MTFMMBMASA-N 2 1 319.537 3.294 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnccn1 ZINC000656476683 435958477 /nfs/dbraw/zinc/95/84/77/435958477.db2.gz JAHKNACZOHYRQG-INIZCTEOSA-N 2 1 310.445 3.141 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnccn1 ZINC000656476683 435958480 /nfs/dbraw/zinc/95/84/80/435958480.db2.gz JAHKNACZOHYRQG-INIZCTEOSA-N 2 1 310.445 3.141 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnccn1 ZINC000656476683 435958483 /nfs/dbraw/zinc/95/84/83/435958483.db2.gz JAHKNACZOHYRQG-INIZCTEOSA-N 2 1 310.445 3.141 20 0 DGADMP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363567 435958899 /nfs/dbraw/zinc/95/88/99/435958899.db2.gz IBCKCERYEQYZEU-GVDBMIGSSA-N 2 1 320.502 3.269 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCSc2ccccc2)C1 ZINC000652362086 435959679 /nfs/dbraw/zinc/95/96/79/435959679.db2.gz WYFARRLWTVLNKK-NJAFHUGGSA-N 2 1 320.502 3.140 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171497 435959791 /nfs/dbraw/zinc/95/97/91/435959791.db2.gz LXAKZQYQLOEXQV-GJYPPUQNSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CO1 ZINC000647171870 435960069 /nfs/dbraw/zinc/96/00/69/435960069.db2.gz ZKHFCNDTDHYQFB-MDZRGWNJSA-N 2 1 302.462 3.328 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000647186423 435966282 /nfs/dbraw/zinc/96/62/82/435966282.db2.gz MBEHJLPFSIJLHQ-QAPCUYQASA-N 2 1 314.429 3.179 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705329 435994893 /nfs/dbraw/zinc/99/48/93/435994893.db2.gz DQBCKTRASJGLTR-FHWLQOOXSA-N 2 1 302.462 3.022 20 0 DGADMP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000647244982 435990644 /nfs/dbraw/zinc/99/06/44/435990644.db2.gz MQSDXDVQAHLHBK-PXNSSMCTSA-N 2 1 318.505 3.080 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc3cccnc3o2)[C@H](c2ccccc2)C1 ZINC000647249163 435990864 /nfs/dbraw/zinc/99/08/64/435990864.db2.gz GENZQMZERGHODX-MJGOQNOKSA-N 2 1 321.424 3.263 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc3cccnc3o2)[C@H](c2ccccc2)C1 ZINC000647249163 435990866 /nfs/dbraw/zinc/99/08/66/435990866.db2.gz GENZQMZERGHODX-MJGOQNOKSA-N 2 1 321.424 3.263 20 0 DGADMP COc1ccccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248591 435990950 /nfs/dbraw/zinc/99/09/50/435990950.db2.gz KNPBJBZUTBLSIO-MOPGFXCFSA-N 2 1 310.441 3.130 20 0 DGADMP COc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248591 435990953 /nfs/dbraw/zinc/99/09/53/435990953.db2.gz KNPBJBZUTBLSIO-MOPGFXCFSA-N 2 1 310.441 3.130 20 0 DGADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299075 435942279 /nfs/dbraw/zinc/94/22/79/435942279.db2.gz FVYJNVULFPCUGV-HAGHYFMRSA-N 3 1 319.537 3.009 20 0 DGADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299075 435942285 /nfs/dbraw/zinc/94/22/85/435942285.db2.gz FVYJNVULFPCUGV-HAGHYFMRSA-N 2 1 319.537 3.009 20 0 DGADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299075 435942288 /nfs/dbraw/zinc/94/22/88/435942288.db2.gz FVYJNVULFPCUGV-HAGHYFMRSA-N 2 1 319.537 3.009 20 0 DGADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665299697 435943869 /nfs/dbraw/zinc/94/38/69/435943869.db2.gz RIMHONWGBRTGRQ-VHDGCEQUSA-N 2 1 313.367 3.111 20 0 DGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348128 435953611 /nfs/dbraw/zinc/95/36/11/435953611.db2.gz VGRKMTHDLVOXBS-ZFHGCVPZSA-N 2 1 324.415 3.244 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705438 435994256 /nfs/dbraw/zinc/99/42/56/435994256.db2.gz GSMVSZZKZRWJTF-WDSOQIARSA-N 2 1 302.462 3.022 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H]1CC[NH3+] ZINC000652353782 435956122 /nfs/dbraw/zinc/95/61/22/435956122.db2.gz CYPCVIQLNLERHY-ACJLOTCBSA-N 2 1 317.408 3.430 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)s1 ZINC000650707278 435994279 /nfs/dbraw/zinc/99/42/79/435994279.db2.gz CBOUAHYPHPBHNH-BHYGNILZSA-N 2 1 308.491 3.083 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354055 435956899 /nfs/dbraw/zinc/95/68/99/435956899.db2.gz MCTUWJUIPYHNHW-PKOBYXMFSA-N 2 1 304.478 3.085 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348396 435957228 /nfs/dbraw/zinc/95/72/28/435957228.db2.gz BZUWSDUMQCEDMQ-XUVXKRRUSA-N 2 1 316.489 3.146 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711092 435998533 /nfs/dbraw/zinc/99/85/33/435998533.db2.gz IFFNGVXUDPCDIJ-SUMWQHHRSA-N 2 1 306.498 3.204 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000650715146 436000731 /nfs/dbraw/zinc/00/07/31/436000731.db2.gz RLXUFIKLLLEZSG-NEWSRXKRSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)[C@H]1CC[NH3+] ZINC000650712094 436000947 /nfs/dbraw/zinc/00/09/47/436000947.db2.gz QKQLBPZBFTVICT-FZMZJTMJSA-N 2 1 307.438 3.385 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)[C@H]1CC[NH3+] ZINC000650712094 436000953 /nfs/dbraw/zinc/00/09/53/436000953.db2.gz QKQLBPZBFTVICT-FZMZJTMJSA-N 2 1 307.438 3.385 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(F)c1 ZINC000650717699 436002935 /nfs/dbraw/zinc/00/29/35/436002935.db2.gz JWAQWUISNZVOLN-UHFFFAOYSA-N 2 1 320.795 3.163 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+]Cc3ccc(C[NH3+])cc3F)c2O1 ZINC000650717492 436003926 /nfs/dbraw/zinc/00/39/26/436003926.db2.gz CHMIWKMPTGMWAN-UHFFFAOYSA-N 2 1 314.404 3.288 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650722997 436006955 /nfs/dbraw/zinc/00/69/55/436006955.db2.gz FTRNXBOLQOVNPC-XKQJLSEDSA-N 2 1 308.491 3.171 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cscc2Cl)C1 ZINC000650723463 436008038 /nfs/dbraw/zinc/00/80/38/436008038.db2.gz OLLLXRZJEFUKNS-BPLDGKMQSA-N 2 1 314.882 3.262 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000650723014 436008328 /nfs/dbraw/zinc/00/83/28/436008328.db2.gz GGQADGQNNXCEPP-YZGWKJHDSA-N 2 1 314.473 3.425 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC000650723833 436009041 /nfs/dbraw/zinc/00/90/41/436009041.db2.gz USDKYLJLHDPUAZ-HSALFYBXSA-N 2 1 314.473 3.036 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)c(F)c1 ZINC000650753395 436019326 /nfs/dbraw/zinc/01/93/26/436019326.db2.gz MNPZTGRCZXSBQB-INIZCTEOSA-N 2 1 306.331 3.340 20 0 DGADMP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(Cl)c1 ZINC000650755905 436021708 /nfs/dbraw/zinc/02/17/08/436021708.db2.gz PHDGVIWHLVPXMB-KRWDZBQOSA-N 2 1 322.811 3.415 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000647336310 436021680 /nfs/dbraw/zinc/02/16/80/436021680.db2.gz UWCADYBXNKVPIT-RAUXBKROSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647336310 436021684 /nfs/dbraw/zinc/02/16/84/436021684.db2.gz UWCADYBXNKVPIT-RAUXBKROSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cnn(C2CCCC2)c1 ZINC000650755926 436021838 /nfs/dbraw/zinc/02/18/38/436021838.db2.gz PMCRUPZSZSEXPE-ZDUSSCGKSA-N 2 1 316.424 3.447 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000647344198 436026730 /nfs/dbraw/zinc/02/67/30/436026730.db2.gz LRALBSMRELTKFB-BMFZPTHFSA-N 2 1 301.459 3.139 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000647344198 436026733 /nfs/dbraw/zinc/02/67/33/436026733.db2.gz LRALBSMRELTKFB-BMFZPTHFSA-N 2 1 301.459 3.139 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)cn1 ZINC000656784351 436043510 /nfs/dbraw/zinc/04/35/10/436043510.db2.gz CPQKMGSMBLZNCG-IBGZPJMESA-N 2 1 324.472 3.084 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000656784939 436045511 /nfs/dbraw/zinc/04/55/11/436045511.db2.gz IFWZEIJJKSDXKG-SFHVURJKSA-N 2 1 302.462 3.215 20 0 DGADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786405 436045918 /nfs/dbraw/zinc/04/59/18/436045918.db2.gz SETSZACCTHYJHV-OAHLLOKOSA-N 2 1 305.491 3.232 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786284 436046014 /nfs/dbraw/zinc/04/60/14/436046014.db2.gz RSZJMGSTQFIAQQ-GOSISDBHSA-N 2 1 324.472 3.288 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000650708165 435995954 /nfs/dbraw/zinc/99/59/54/435995954.db2.gz UQFHVUABHRCUSF-YUYSISITSA-N 2 1 318.436 3.057 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000650705694 435996226 /nfs/dbraw/zinc/99/62/26/435996226.db2.gz RIIYDHNGJZCIES-IPMKNSEASA-N 2 1 302.462 3.022 20 0 DGADMP Cc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480628 436059180 /nfs/dbraw/zinc/05/91/80/436059180.db2.gz VRQWOARQUUNREJ-FXAWDEMLSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480628 436059182 /nfs/dbraw/zinc/05/91/82/436059182.db2.gz VRQWOARQUUNREJ-FXAWDEMLSA-N 2 1 324.472 3.145 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480223 436060125 /nfs/dbraw/zinc/06/01/25/436060125.db2.gz HEUAZTDFBZWONI-AEFFLSMTSA-N 2 1 310.445 3.041 20 0 DGADMP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480253 436060197 /nfs/dbraw/zinc/06/01/97/436060197.db2.gz HTBVEJCVOZGDTE-ZGCXVMDJSA-N 2 1 300.446 3.172 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480253 436060201 /nfs/dbraw/zinc/06/02/01/436060201.db2.gz HTBVEJCVOZGDTE-ZGCXVMDJSA-N 2 1 300.446 3.172 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480913 436061512 /nfs/dbraw/zinc/06/15/12/436061512.db2.gz ARBFYPRBCCZBQE-IAGOWNOFSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480913 436061514 /nfs/dbraw/zinc/06/15/14/436061514.db2.gz ARBFYPRBCCZBQE-IAGOWNOFSA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498697 436066998 /nfs/dbraw/zinc/06/69/98/436066998.db2.gz NLWWUOJIYXPLOW-IAGOWNOFSA-N 2 1 320.477 3.289 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498697 436067001 /nfs/dbraw/zinc/06/70/01/436067001.db2.gz NLWWUOJIYXPLOW-IAGOWNOFSA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543271 436078372 /nfs/dbraw/zinc/07/83/72/436078372.db2.gz KETJNHSQLKMPAH-ROUUACIJSA-N 2 1 302.462 3.297 20 0 DGADMP COCc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544206 436079940 /nfs/dbraw/zinc/07/99/40/436079940.db2.gz YFDHINSPLYEMSH-RBUKOAKNSA-N 2 1 302.462 3.045 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3C[NH2+]C[C@@H](C)C3)s2)cs1 ZINC000647548645 436080975 /nfs/dbraw/zinc/08/09/75/436080975.db2.gz MNKKXRZGDVLHDO-WCQYABFASA-N 2 1 321.515 3.310 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000647550809 436083571 /nfs/dbraw/zinc/08/35/71/436083571.db2.gz ISFXOSPDMAICOL-SWLSCSKDSA-N 2 1 323.278 3.068 20 0 DGADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000647664527 436097992 /nfs/dbraw/zinc/09/79/92/436097992.db2.gz DSLTWVCIRNUTAS-AWEZNQCLSA-N 2 1 314.433 3.145 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803185 436126009 /nfs/dbraw/zinc/12/60/09/436126009.db2.gz LCTCEVOTANFTHR-UWJYYQICSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647803185 436126012 /nfs/dbraw/zinc/12/60/12/436126012.db2.gz LCTCEVOTANFTHR-UWJYYQICSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803185 436126015 /nfs/dbraw/zinc/12/60/15/436126015.db2.gz LCTCEVOTANFTHR-UWJYYQICSA-N 2 1 323.484 3.146 20 0 DGADMP c1nc2n(c1CNCc1ccccc1OC1CCCC1)CCC2 ZINC000657319406 436134378 /nfs/dbraw/zinc/13/43/78/436134378.db2.gz XHVQVDFWCVQECS-UHFFFAOYSA-N 2 1 311.429 3.441 20 0 DGADMP C[C@](C[NH3+])([NH2+]CCCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647867935 436136154 /nfs/dbraw/zinc/13/61/54/436136154.db2.gz SKFHHBAFBRQFSD-OAHLLOKOSA-N 2 1 300.368 3.355 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000666079881 436139265 /nfs/dbraw/zinc/13/92/65/436139265.db2.gz DBPMLZOQOFOCAL-OAHLLOKOSA-N 2 1 304.865 3.414 20 0 DGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647888171 436141979 /nfs/dbraw/zinc/14/19/79/436141979.db2.gz WMEBLTAMBYXAJG-GJZGRUSLSA-N 2 1 322.880 3.213 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225528 436142011 /nfs/dbraw/zinc/14/20/11/436142011.db2.gz HGTBRCJQJMUFCW-JKSUJKDBSA-N 2 1 312.461 3.080 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225528 436142017 /nfs/dbraw/zinc/14/20/17/436142017.db2.gz HGTBRCJQJMUFCW-JKSUJKDBSA-N 2 1 312.461 3.080 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)[nH]n1 ZINC000651232957 436145599 /nfs/dbraw/zinc/14/55/99/436145599.db2.gz HEBNIQFWZFCKPI-ZCNNSNEGSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)[nH]n1 ZINC000651232957 436145605 /nfs/dbraw/zinc/14/56/05/436145605.db2.gz HEBNIQFWZFCKPI-ZCNNSNEGSA-N 2 1 324.472 3.251 20 0 DGADMP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000657298782 436123220 /nfs/dbraw/zinc/12/32/20/436123220.db2.gz QPBUTGCSGYCXDZ-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000657298782 436123224 /nfs/dbraw/zinc/12/32/24/436123224.db2.gz QPBUTGCSGYCXDZ-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@H]1CCCC[NH2+]1 ZINC000647800405 436124034 /nfs/dbraw/zinc/12/40/34/436124034.db2.gz ASBTZGCYVLOBLN-RRFJBIMHSA-N 2 1 306.475 3.050 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000647971528 436165910 /nfs/dbraw/zinc/16/59/10/436165910.db2.gz MORXJNHCBKFBCL-AQNXPRMDSA-N 2 1 318.505 3.079 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372582 436162859 /nfs/dbraw/zinc/16/28/59/436162859.db2.gz WSNHQANAFBSFAC-OALUTQOASA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372582 436162867 /nfs/dbraw/zinc/16/28/67/436162867.db2.gz WSNHQANAFBSFAC-OALUTQOASA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000647987272 436168535 /nfs/dbraw/zinc/16/85/35/436168535.db2.gz BREWLWMDFLXJHB-ZWKOTPCHSA-N 2 1 302.462 3.004 20 0 DGADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990931 436171680 /nfs/dbraw/zinc/17/16/80/436171680.db2.gz VYXCWLGPMKVYAU-KXBFYZLASA-N 2 1 302.462 3.090 20 0 DGADMP c1ccc(SCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975719 436167620 /nfs/dbraw/zinc/16/76/20/436167620.db2.gz FELRXMONVHIYJW-IRXDYDNUSA-N 2 1 304.503 3.490 20 0 DGADMP c1ccc(COCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978732 436167669 /nfs/dbraw/zinc/16/76/69/436167669.db2.gz XJJHLCRYYTWIDT-VQTJNVASSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653526706 436195436 /nfs/dbraw/zinc/19/54/36/436195436.db2.gz LHOJSNWWCJRVPB-HDICACEKSA-N 2 1 321.553 3.303 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2noc3ccccc32)C[C@H]1C ZINC000653564084 436206404 /nfs/dbraw/zinc/20/64/04/436206404.db2.gz OWYYYAJAGCZSDZ-CABCVRRESA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2noc3ccccc32)C[C@H]1C ZINC000653564084 436206408 /nfs/dbraw/zinc/20/64/08/436206408.db2.gz OWYYYAJAGCZSDZ-CABCVRRESA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2noc3ccccc32)C[C@H]1C ZINC000653564084 436206410 /nfs/dbraw/zinc/20/64/10/436206410.db2.gz OWYYYAJAGCZSDZ-CABCVRRESA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2noc3ccccc32)C1 ZINC000653561141 436206943 /nfs/dbraw/zinc/20/69/43/436206943.db2.gz VMINYCWPBLNKKQ-HNNXBMFYSA-N 2 1 301.434 3.034 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000653561141 436206949 /nfs/dbraw/zinc/20/69/49/436206949.db2.gz VMINYCWPBLNKKQ-HNNXBMFYSA-N 2 1 301.434 3.034 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2noc3ccccc32)C[C@@H]1C ZINC000653564085 436207880 /nfs/dbraw/zinc/20/78/80/436207880.db2.gz OWYYYAJAGCZSDZ-GJZGRUSLSA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2noc3ccccc32)C[C@@H]1C ZINC000653564085 436207884 /nfs/dbraw/zinc/20/78/84/436207884.db2.gz OWYYYAJAGCZSDZ-GJZGRUSLSA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2noc3ccccc32)C[C@@H]1C ZINC000653564085 436207889 /nfs/dbraw/zinc/20/78/89/436207889.db2.gz OWYYYAJAGCZSDZ-GJZGRUSLSA-N 2 1 301.434 3.175 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2noc3ccccc32)[C@@H](C)C1 ZINC000653582118 436214594 /nfs/dbraw/zinc/21/45/94/436214594.db2.gz XSOVHOYAXPGSSB-YOEHRIQHSA-N 2 1 301.434 3.032 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CCC1 ZINC000666829597 436288883 /nfs/dbraw/zinc/28/88/83/436288883.db2.gz DZGWODVAHRELML-UHFFFAOYSA-N 2 1 314.404 3.376 20 0 DGADMP Clc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856684 436294882 /nfs/dbraw/zinc/29/48/82/436294882.db2.gz YRLYCJWWAMVGQR-CQSZACIVSA-N 2 1 307.869 3.172 20 0 DGADMP Clc1sc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000666857677 436295401 /nfs/dbraw/zinc/29/54/01/436295401.db2.gz DXDSMACWONAHKE-QMMMGPOBSA-N 2 1 323.687 3.396 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000662031757 436252524 /nfs/dbraw/zinc/25/25/24/436252524.db2.gz UTMRAOPYQZNKAF-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657596158 436257632 /nfs/dbraw/zinc/25/76/32/436257632.db2.gz LUABYPQGFYPMDT-UXPWSPDFSA-N 2 1 316.489 3.169 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000653776400 436262489 /nfs/dbraw/zinc/26/24/89/436262489.db2.gz DLZDLVHOIPSVAU-GOSISDBHSA-N 2 1 301.409 3.155 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000653776400 436262493 /nfs/dbraw/zinc/26/24/93/436262493.db2.gz DLZDLVHOIPSVAU-GOSISDBHSA-N 2 1 301.409 3.155 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657629177 436262778 /nfs/dbraw/zinc/26/27/78/436262778.db2.gz LYTWTASXEHIVDI-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657629177 436262781 /nfs/dbraw/zinc/26/27/81/436262781.db2.gz LYTWTASXEHIVDI-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCC2(COC2)C1 ZINC000662074939 436266255 /nfs/dbraw/zinc/26/62/55/436266255.db2.gz UDYCYPKPJNHYPI-UHFFFAOYSA-N 2 1 313.445 3.237 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000657665862 436272201 /nfs/dbraw/zinc/27/22/01/436272201.db2.gz QQSVKLSGHSDVNG-VQIMIIECSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255913 436312535 /nfs/dbraw/zinc/31/25/35/436312535.db2.gz SMTNWJGTDUQROS-NEWSRXKRSA-N 2 1 314.473 3.289 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253514 436313183 /nfs/dbraw/zinc/31/31/83/436313183.db2.gz ZOFNUHWHRHTOTN-MJGOQNOKSA-N 2 1 312.457 3.049 20 0 DGADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cc2ccccc2o1 ZINC000662255485 436313563 /nfs/dbraw/zinc/31/35/63/436313563.db2.gz YWMLBLULVAISDZ-GDBMZVCRSA-N 2 1 314.429 3.337 20 0 DGADMP CCC[N@@H+](CCc1nsc2ccccc21)C1CC[NH2+]CC1 ZINC000662262317 436316612 /nfs/dbraw/zinc/31/66/12/436316612.db2.gz FKFYTJIYGQZGIB-UHFFFAOYSA-N 2 1 303.475 3.303 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000662264775 436317426 /nfs/dbraw/zinc/31/74/26/436317426.db2.gz LNZBQZKEFNCVGU-QAPCUYQASA-N 2 1 320.502 3.251 20 0 DGADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270410 436318332 /nfs/dbraw/zinc/31/83/32/436318332.db2.gz KMWKDAIWQDFGNJ-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270410 436318335 /nfs/dbraw/zinc/31/83/35/436318335.db2.gz KMWKDAIWQDFGNJ-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1nocc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270538 436318862 /nfs/dbraw/zinc/31/88/62/436318862.db2.gz MCICZZBAWBGTPU-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000662276199 436320719 /nfs/dbraw/zinc/32/07/19/436320719.db2.gz KSXLDWLEPHIQBN-RHSMWYFYSA-N 2 1 308.466 3.382 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCc1nsc2ccccc21)C1CCCCC1 ZINC000662276729 436321620 /nfs/dbraw/zinc/32/16/20/436321620.db2.gz LRNCDKZZBKAMBF-INIZCTEOSA-N 2 1 303.475 3.336 20 0 DGADMP c1ccc2c(CC[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)nsc2c1 ZINC000662276476 436321834 /nfs/dbraw/zinc/32/18/34/436321834.db2.gz NHRRHQDZDPGTII-YOEHRIQHSA-N 2 1 315.486 3.303 20 0 DGADMP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000662275488 436321879 /nfs/dbraw/zinc/32/18/79/436321879.db2.gz DIMMTEVFNMYOKC-ZFWWWQNUSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000662275488 436321884 /nfs/dbraw/zinc/32/18/84/436321884.db2.gz DIMMTEVFNMYOKC-ZFWWWQNUSA-N 2 1 308.853 3.313 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997011 436322032 /nfs/dbraw/zinc/32/20/32/436322032.db2.gz QZNDTSCSAJDDTR-MRXNPFEDSA-N 2 1 311.429 3.008 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)c1OC ZINC000666999401 436322568 /nfs/dbraw/zinc/32/25/68/436322568.db2.gz CWADYYCYZXAVSP-CYBMUJFWSA-N 2 1 324.852 3.122 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998273 436322649 /nfs/dbraw/zinc/32/26/49/436322649.db2.gz KSKYFJKOGGSQTG-ZDUSSCGKSA-N 2 1 314.351 3.350 20 0 DGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662285842 436324169 /nfs/dbraw/zinc/32/41/69/436324169.db2.gz NRKCGLGCAQLTPX-BSDSXHPESA-N 2 1 308.510 3.421 20 0 DGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657844581 436325327 /nfs/dbraw/zinc/32/53/27/436325327.db2.gz IDAZJRYCJOVBOC-KRWDZBQOSA-N 2 1 324.896 3.098 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294242 436325650 /nfs/dbraw/zinc/32/56/50/436325650.db2.gz QEYGXEGEQAZNAU-HIFRSBDPSA-N 2 1 323.506 3.062 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000662311367 436326994 /nfs/dbraw/zinc/32/69/94/436326994.db2.gz SAVJILFKZSNPFV-VQIMIIECSA-N 2 1 302.462 3.048 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3ccccc32)CCO1 ZINC000662318176 436328793 /nfs/dbraw/zinc/32/87/93/436328793.db2.gz WZZVGPVMOHATQT-IBGZPJMESA-N 2 1 312.457 3.382 20 0 DGADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CCCC1 ZINC000662314029 436328833 /nfs/dbraw/zinc/32/88/33/436328833.db2.gz LOWQJUDPEOHPOD-SJLPKXTDSA-N 2 1 323.525 3.005 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCCCO3)C1)C[NH2+]CC2 ZINC000662315783 436329509 /nfs/dbraw/zinc/32/95/09/436329509.db2.gz SEZXGXPLEQCSNJ-UYAOXDASSA-N 2 1 314.473 3.113 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CCO1 ZINC000662321841 436330389 /nfs/dbraw/zinc/33/03/89/436330389.db2.gz DWDFFJDJFNNNTQ-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCO1 ZINC000662321841 436330391 /nfs/dbraw/zinc/33/03/91/436330391.db2.gz DWDFFJDJFNNNTQ-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662321488 436330642 /nfs/dbraw/zinc/33/06/42/436330642.db2.gz JFIAAPLZVLMIFR-IBGZPJMESA-N 2 1 320.477 3.016 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662321488 436330644 /nfs/dbraw/zinc/33/06/44/436330644.db2.gz JFIAAPLZVLMIFR-IBGZPJMESA-N 2 1 320.477 3.016 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322686 436330972 /nfs/dbraw/zinc/33/09/72/436330972.db2.gz WUBNEFJTILUBAL-QZTJIDSGSA-N 2 1 308.441 3.319 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322686 436330974 /nfs/dbraw/zinc/33/09/74/436330974.db2.gz WUBNEFJTILUBAL-QZTJIDSGSA-N 2 1 308.441 3.319 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)CCO1 ZINC000662324466 436331391 /nfs/dbraw/zinc/33/13/91/436331391.db2.gz WCBOIODOHVOZTR-AJNOYIKESA-N 2 1 322.880 3.396 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CCO1 ZINC000662324466 436331395 /nfs/dbraw/zinc/33/13/95/436331395.db2.gz WCBOIODOHVOZTR-AJNOYIKESA-N 2 1 322.880 3.396 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658058118 436361107 /nfs/dbraw/zinc/36/11/07/436361107.db2.gz CLPGZXDGLZIXGO-WQUXRXDGSA-N 2 1 316.489 3.302 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658058118 436361109 /nfs/dbraw/zinc/36/11/09/436361109.db2.gz CLPGZXDGLZIXGO-WQUXRXDGSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091646 436371470 /nfs/dbraw/zinc/37/14/70/436371470.db2.gz MUMZSSBATNAEJH-WBVHZDCISA-N 2 1 317.477 3.175 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091646 436371471 /nfs/dbraw/zinc/37/14/71/436371471.db2.gz MUMZSSBATNAEJH-WBVHZDCISA-N 2 1 317.477 3.175 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091642 436372439 /nfs/dbraw/zinc/37/24/39/436372439.db2.gz MUMZSSBATNAEJH-NVXWUHKLSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091642 436372441 /nfs/dbraw/zinc/37/24/41/436372441.db2.gz MUMZSSBATNAEJH-NVXWUHKLSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000658126007 436381346 /nfs/dbraw/zinc/38/13/46/436381346.db2.gz OCXXQBLJMCEHDZ-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000658126007 436381348 /nfs/dbraw/zinc/38/13/48/436381348.db2.gz OCXXQBLJMCEHDZ-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000658126009 436381539 /nfs/dbraw/zinc/38/15/39/436381539.db2.gz OCXXQBLJMCEHDZ-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000658126009 436381544 /nfs/dbraw/zinc/38/15/44/436381544.db2.gz OCXXQBLJMCEHDZ-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP C[C@H]1CC[C@@](C)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1(C)C ZINC000658126318 436381586 /nfs/dbraw/zinc/38/15/86/436381586.db2.gz GBNMEVPAYXACNV-IEZWGBDMSA-N 2 1 308.510 3.292 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000658129636 436383333 /nfs/dbraw/zinc/38/33/33/436383333.db2.gz VPEMOAJYTAIWFL-IHPCNDPISA-N 2 1 309.457 3.240 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000658129637 436383549 /nfs/dbraw/zinc/38/35/49/436383549.db2.gz VPEMOAJYTAIWFL-YSIASYRMSA-N 2 1 309.457 3.240 20 0 DGADMP OCC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000662748982 436383996 /nfs/dbraw/zinc/38/39/96/436383996.db2.gz RQCXFHGBSQWSGX-GOSISDBHSA-N 2 1 316.489 3.267 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136305 436385307 /nfs/dbraw/zinc/38/53/07/436385307.db2.gz HSPKTKYTXGGOOX-CRAIPNDOSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142651 436387430 /nfs/dbraw/zinc/38/74/30/436387430.db2.gz VYJGGUSONTYZDZ-GPMSIDNRSA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658145280 436387526 /nfs/dbraw/zinc/38/75/26/436387526.db2.gz RFHFDAKSRHAPGB-QFBILLFUSA-N 2 1 304.478 3.168 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658161346 436391762 /nfs/dbraw/zinc/39/17/62/436391762.db2.gz KCQKIFNCIYUHEF-DSLXNQLJSA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658161346 436391769 /nfs/dbraw/zinc/39/17/69/436391769.db2.gz KCQKIFNCIYUHEF-DSLXNQLJSA-N 2 1 302.462 3.054 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658219056 436403869 /nfs/dbraw/zinc/40/38/69/436403869.db2.gz HICDYSCMXFXACW-JYJNAYRXSA-N 2 1 318.452 3.148 20 0 DGADMP C1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230504 436406413 /nfs/dbraw/zinc/40/64/13/436406413.db2.gz ZETCUOYWLVVNRX-WMZOPIPTSA-N 2 1 306.494 3.332 20 0 DGADMP C1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230504 436406418 /nfs/dbraw/zinc/40/64/18/436406418.db2.gz ZETCUOYWLVVNRX-WMZOPIPTSA-N 2 1 306.494 3.332 20 0 DGADMP CCOC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320144 436429503 /nfs/dbraw/zinc/42/95/03/436429503.db2.gz OEWOTWLWSNYUST-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP c1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[nH]nc1-c1ccccc1 ZINC000663346961 436442604 /nfs/dbraw/zinc/44/26/04/436442604.db2.gz YTFSSDFBLRKYBM-QGZVFWFLSA-N 2 1 324.472 3.288 20 0 DGADMP c1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[nH]nc1-c1ccccc1 ZINC000663346961 436442607 /nfs/dbraw/zinc/44/26/07/436442607.db2.gz YTFSSDFBLRKYBM-QGZVFWFLSA-N 2 1 324.472 3.288 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(F)c1F ZINC000663345961 436443172 /nfs/dbraw/zinc/44/31/72/436443172.db2.gz PPEROIHMVJTYLV-CYBMUJFWSA-N 2 1 312.379 3.316 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(F)c1F ZINC000663345961 436443174 /nfs/dbraw/zinc/44/31/74/436443174.db2.gz PPEROIHMVJTYLV-CYBMUJFWSA-N 2 1 312.379 3.316 20 0 DGADMP CC[NH+](CC)Cc1cccc(CNc2cc(CO)cc(C)[nH+]2)c1 ZINC000663394157 436452448 /nfs/dbraw/zinc/45/24/48/436452448.db2.gz OXQUTYITEVYHRK-UHFFFAOYSA-N 2 1 313.445 3.336 20 0 DGADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466351 436463684 /nfs/dbraw/zinc/46/36/84/436463684.db2.gz RMFCDRYHMSRIDG-JXFKEZNVSA-N 2 1 314.473 3.481 20 0 DGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466403 436463928 /nfs/dbraw/zinc/46/39/28/436463928.db2.gz SKPRDBGGJQPEQF-RDJZCZTQSA-N 2 1 301.478 3.417 20 0 DGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466403 436463930 /nfs/dbraw/zinc/46/39/30/436463930.db2.gz SKPRDBGGJQPEQF-RDJZCZTQSA-N 2 1 301.478 3.417 20 0 DGADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467298 436466037 /nfs/dbraw/zinc/46/60/37/436466037.db2.gz ZZQAZBSVCUKBKA-ROUUACIJSA-N 2 1 306.494 3.047 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459436395 301770238 /nfs/dbraw/zinc/77/02/38/301770238.db2.gz XXRBIGNINWCXAA-PMACEKPBSA-N 2 1 314.473 3.432 20 0 DGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471838 436466884 /nfs/dbraw/zinc/46/68/84/436466884.db2.gz YQRFQDDCZGFVJZ-WBVHZDCISA-N 2 1 302.462 3.468 20 0 DGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471838 436466887 /nfs/dbraw/zinc/46/68/87/436466887.db2.gz YQRFQDDCZGFVJZ-WBVHZDCISA-N 2 1 302.462 3.468 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc32)[C@H]2CCC[C@H]21 ZINC000658314488 436428320 /nfs/dbraw/zinc/42/83/20/436428320.db2.gz HFUMABVKURIDCD-UKPHBRMFSA-N 2 1 315.486 3.301 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn[nH]c1 ZINC000658319294 436428477 /nfs/dbraw/zinc/42/84/77/436428477.db2.gz ZAIZTQCYGMOMRS-QFBILLFUSA-N 2 1 324.472 3.363 20 0 DGADMP Cc1ccc(C)c([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000660005774 436578578 /nfs/dbraw/zinc/57/85/78/436578578.db2.gz NBAKYVYRJXPIFH-IEBWSBKVSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660005774 436578580 /nfs/dbraw/zinc/57/85/80/436578580.db2.gz NBAKYVYRJXPIFH-IEBWSBKVSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660005774 436578582 /nfs/dbraw/zinc/57/85/82/436578582.db2.gz NBAKYVYRJXPIFH-IEBWSBKVSA-N 2 1 304.478 3.141 20 0 DGADMP COc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010077 436579038 /nfs/dbraw/zinc/57/90/38/436579038.db2.gz FONMDLVXLLIUHM-HIFRSBDPSA-N 2 1 308.853 3.265 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655352524 436533231 /nfs/dbraw/zinc/53/32/31/436533231.db2.gz MFZPCUGHRJBNPB-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCc2ccccc21 ZINC000659858443 436545908 /nfs/dbraw/zinc/54/59/08/436545908.db2.gz DNIPRXWOUBXTCE-IEBWSBKVSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCc2ccccc21 ZINC000659858443 436545911 /nfs/dbraw/zinc/54/59/11/436545911.db2.gz DNIPRXWOUBXTCE-IEBWSBKVSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCc2ccccc21 ZINC000659858443 436545914 /nfs/dbraw/zinc/54/59/14/436545914.db2.gz DNIPRXWOUBXTCE-IEBWSBKVSA-N 2 1 304.478 3.087 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659872652 436552283 /nfs/dbraw/zinc/55/22/83/436552283.db2.gz FJQJTEVAAYLLSG-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP Cc1cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929341 436560957 /nfs/dbraw/zinc/56/09/57/436560957.db2.gz RETDGDKSNNVVJC-WMZOPIPTSA-N 2 1 316.493 3.180 20 0 DGADMP COc1cccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000659945718 436564771 /nfs/dbraw/zinc/56/47/71/436564771.db2.gz BSVMPTKNQDVXQI-MRXNPFEDSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000659945718 436564773 /nfs/dbraw/zinc/56/47/73/436564773.db2.gz BSVMPTKNQDVXQI-MRXNPFEDSA-N 2 1 320.502 3.205 20 0 DGADMP c1ccc(COCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000659944589 436566305 /nfs/dbraw/zinc/56/63/05/436566305.db2.gz MUWOIWVBRYQTGF-LJQANCHMSA-N 2 1 302.462 3.154 20 0 DGADMP c1ccc(COCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000659944589 436566309 /nfs/dbraw/zinc/56/63/09/436566309.db2.gz MUWOIWVBRYQTGF-LJQANCHMSA-N 2 1 302.462 3.154 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1COC(C)(C)C1 ZINC000659970292 436570441 /nfs/dbraw/zinc/57/04/41/436570441.db2.gz IUIROIUOFGGNTP-ROUUACIJSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1COC(C)(C)C1 ZINC000659970292 436570446 /nfs/dbraw/zinc/57/04/46/436570446.db2.gz IUIROIUOFGGNTP-ROUUACIJSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1COC(C)(C)C1 ZINC000659970292 436570450 /nfs/dbraw/zinc/57/04/50/436570450.db2.gz IUIROIUOFGGNTP-ROUUACIJSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@@H+]1C ZINC000659983049 436570978 /nfs/dbraw/zinc/57/09/78/436570978.db2.gz CHBPYKGRCHIVNH-JSGCOSHPSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@H+]1C ZINC000659983049 436570980 /nfs/dbraw/zinc/57/09/80/436570980.db2.gz CHBPYKGRCHIVNH-JSGCOSHPSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983049 436570983 /nfs/dbraw/zinc/57/09/83/436570983.db2.gz CHBPYKGRCHIVNH-JSGCOSHPSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983049 436570987 /nfs/dbraw/zinc/57/09/87/436570987.db2.gz CHBPYKGRCHIVNH-JSGCOSHPSA-N 2 1 314.445 3.471 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659989664 436573408 /nfs/dbraw/zinc/57/34/08/436573408.db2.gz QVMQIVMIDSXWRN-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659989664 436573412 /nfs/dbraw/zinc/57/34/12/436573412.db2.gz QVMQIVMIDSXWRN-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000659989664 436573414 /nfs/dbraw/zinc/57/34/14/436573414.db2.gz QVMQIVMIDSXWRN-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000659989664 436573417 /nfs/dbraw/zinc/57/34/17/436573417.db2.gz QVMQIVMIDSXWRN-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655689672 436575482 /nfs/dbraw/zinc/57/54/82/436575482.db2.gz JPOYNWVCPTUWPP-SFHVURJKSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655689672 436575484 /nfs/dbraw/zinc/57/54/84/436575484.db2.gz JPOYNWVCPTUWPP-SFHVURJKSA-N 2 1 312.461 3.348 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCCC1(C)C ZINC000660119150 436591690 /nfs/dbraw/zinc/59/16/90/436591690.db2.gz YEBIFCFLXHSGKP-MLHJIOFPSA-N 2 1 308.510 3.386 20 0 DGADMP CSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000660118749 436591974 /nfs/dbraw/zinc/59/19/74/436591974.db2.gz VWLWXDOOASFAKS-KBAYOESNSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000660118749 436591977 /nfs/dbraw/zinc/59/19/77/436591977.db2.gz VWLWXDOOASFAKS-KBAYOESNSA-N 2 1 320.502 3.092 20 0 DGADMP C[C@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256707 436614484 /nfs/dbraw/zinc/61/44/84/436614484.db2.gz NSEUVIIKDKAVOT-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256705 436614845 /nfs/dbraw/zinc/61/48/45/436614845.db2.gz NSEUVIIKDKAVOT-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+]Cc1cnc2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256009 436615285 /nfs/dbraw/zinc/61/52/85/436615285.db2.gz HPQKXVGCLYXRKD-HOTGVXAUSA-N 2 1 324.472 3.372 20 0 DGADMP C[C@H]([NH2+]Cc1cnc2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256009 436615286 /nfs/dbraw/zinc/61/52/86/436615286.db2.gz HPQKXVGCLYXRKD-HOTGVXAUSA-N 2 1 324.472 3.372 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000660265607 436615608 /nfs/dbraw/zinc/61/56/08/436615608.db2.gz IFRVLXKNKIYDKY-HIFRSBDPSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000660265607 436615610 /nfs/dbraw/zinc/61/56/10/436615610.db2.gz IFRVLXKNKIYDKY-HIFRSBDPSA-N 2 1 306.475 3.253 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530231718 313344062 /nfs/dbraw/zinc/34/40/62/313344062.db2.gz SZHZSUBRDPXRFN-CRAIPNDOSA-N 2 1 302.462 3.120 20 0 DGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(F)F)cc1 ZINC000530460424 313372532 /nfs/dbraw/zinc/37/25/32/313372532.db2.gz TZXJTZCMKQXGRY-HNNXBMFYSA-N 2 1 309.360 3.305 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000530714470 313398939 /nfs/dbraw/zinc/39/89/39/313398939.db2.gz YKTQQOFSHVWNHT-FUHWJXTLSA-N 2 1 314.477 3.325 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188669 313525571 /nfs/dbraw/zinc/52/55/71/313525571.db2.gz XVQNRNFTQQZNOE-BRWVUGGUSA-N 2 1 321.534 3.205 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532232969 313530583 /nfs/dbraw/zinc/53/05/83/313530583.db2.gz ANLNOKLKBBKDNL-WBVHZDCISA-N 2 1 302.466 3.231 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541914314 314048831 /nfs/dbraw/zinc/04/88/31/314048831.db2.gz QZEZFEFEMYITQW-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H](C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)[NH+]1CCCC1 ZINC000545601913 314259332 /nfs/dbraw/zinc/25/93/32/314259332.db2.gz PLVIBXXDHVUYOX-NVXWUHKLSA-N 2 1 322.468 3.477 20 0 DGADMP C[N@@H+](CCC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000546723454 314325846 /nfs/dbraw/zinc/32/58/46/314325846.db2.gz NKDVTTBMQLUION-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c(OC)c1 ZINC000546932894 314337121 /nfs/dbraw/zinc/33/71/21/314337121.db2.gz POFBGMOKFXUURN-OAHLLOKOSA-N 2 1 320.477 3.476 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)CC(C)C ZINC000554049658 314663257 /nfs/dbraw/zinc/66/32/57/314663257.db2.gz VJUQJSMIBZWYDW-KKUMJFAQSA-N 2 1 324.431 3.442 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccco2)cc1 ZINC000563424135 315114037 /nfs/dbraw/zinc/11/40/37/315114037.db2.gz JTFQBVNMUMJSDV-RKVPGOIHSA-N 2 1 300.402 3.237 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000564428783 315175844 /nfs/dbraw/zinc/17/58/44/315175844.db2.gz XTABDBUIUCSYFS-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000564428783 315175847 /nfs/dbraw/zinc/17/58/47/315175847.db2.gz XTABDBUIUCSYFS-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000564761650 315197196 /nfs/dbraw/zinc/19/71/96/315197196.db2.gz SUUGTADBSFTLSP-SCTDSRPQSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000564761650 315197199 /nfs/dbraw/zinc/19/71/99/315197199.db2.gz SUUGTADBSFTLSP-SCTDSRPQSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000564761650 315197200 /nfs/dbraw/zinc/19/72/00/315197200.db2.gz SUUGTADBSFTLSP-SCTDSRPQSA-N 2 1 303.494 3.140 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000565259975 315248322 /nfs/dbraw/zinc/24/83/22/315248322.db2.gz RMYVEYLMZYWNOL-XUVXKRRUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000565259975 315248325 /nfs/dbraw/zinc/24/83/25/315248325.db2.gz RMYVEYLMZYWNOL-XUVXKRRUSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000565500032 315265973 /nfs/dbraw/zinc/26/59/73/315265973.db2.gz MGRBRPQNIZRZDJ-UTKZUKDTSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1Cc1ccccc1 ZINC000565500032 315265977 /nfs/dbraw/zinc/26/59/77/315265977.db2.gz MGRBRPQNIZRZDJ-UTKZUKDTSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(O)CCCC2)C1 ZINC000565945792 315299278 /nfs/dbraw/zinc/29/92/78/315299278.db2.gz ZUCJOXDAYSAJHA-KRWDZBQOSA-N 2 1 316.489 3.313 20 0 DGADMP COCC1(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000566221522 315323220 /nfs/dbraw/zinc/32/32/20/315323220.db2.gz SNAAEVGQDLBQBY-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000566221522 315323223 /nfs/dbraw/zinc/32/32/23/315323223.db2.gz SNAAEVGQDLBQBY-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000568898663 315544700 /nfs/dbraw/zinc/54/47/00/315544700.db2.gz ONELJSSAOVNDKM-VQIMIIECSA-N 2 1 313.445 3.110 20 0 DGADMP CCC[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000573815630 315903224 /nfs/dbraw/zinc/90/32/24/315903224.db2.gz SSROMBPRWISKFG-GOSISDBHSA-N 2 1 304.478 3.007 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(Br)c1 ZINC000575816236 316065794 /nfs/dbraw/zinc/06/57/94/316065794.db2.gz LZBHYBRSWQMTGE-SLYWTYHBSA-N 2 1 324.266 3.120 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(Br)c1 ZINC000575816236 316065795 /nfs/dbraw/zinc/06/57/95/316065795.db2.gz LZBHYBRSWQMTGE-SLYWTYHBSA-N 2 1 324.266 3.120 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000575828419 316066533 /nfs/dbraw/zinc/06/65/33/316066533.db2.gz PILRVHVGGLKWQA-HNJRGHQBSA-N 2 1 316.489 3.097 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000576000115 316085092 /nfs/dbraw/zinc/08/50/92/316085092.db2.gz UZGJZCJXMUHOBJ-MRXNPFEDSA-N 2 1 319.474 3.095 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000576000115 316085096 /nfs/dbraw/zinc/08/50/96/316085096.db2.gz UZGJZCJXMUHOBJ-MRXNPFEDSA-N 2 1 319.474 3.095 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000576003595 316085369 /nfs/dbraw/zinc/08/53/69/316085369.db2.gz RZKYEIBCSRZGBO-UHFFFAOYSA-N 2 1 309.457 3.312 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000576636228 316151164 /nfs/dbraw/zinc/15/11/64/316151164.db2.gz AKTSPWABALSZPK-KBPBESRZSA-N 2 1 300.377 3.127 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000576636228 316151166 /nfs/dbraw/zinc/15/11/66/316151166.db2.gz AKTSPWABALSZPK-KBPBESRZSA-N 2 1 300.377 3.127 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000576814673 316169801 /nfs/dbraw/zinc/16/98/01/316169801.db2.gz LUQABAYYSOOKTG-NSHDSACASA-N 2 1 300.830 3.007 20 0 DGADMP c1cc(-c2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000577062526 316197704 /nfs/dbraw/zinc/19/77/04/316197704.db2.gz JPHAQFZJJDGJAY-INIZCTEOSA-N 2 1 319.499 3.447 20 0 DGADMP c1cc(-c2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000577062526 316197709 /nfs/dbraw/zinc/19/77/09/316197709.db2.gz JPHAQFZJJDGJAY-INIZCTEOSA-N 2 1 319.499 3.447 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562072 316247342 /nfs/dbraw/zinc/24/73/42/316247342.db2.gz PEEKGQIGRGHQHM-KDOFPFPSSA-N 2 1 301.409 3.223 20 0 DGADMP C[N@@H+](CCC(=O)NCCC[NH+]1CCCCCC1)C1CCCCC1 ZINC000577930955 316285492 /nfs/dbraw/zinc/28/54/92/316285492.db2.gz LEDAAHDMNJPNMO-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000182344650 323294452 /nfs/dbraw/zinc/29/44/52/323294452.db2.gz PMVQCBKXSWDGDV-OWYHZJEWSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000182344650 323294454 /nfs/dbraw/zinc/29/44/54/323294454.db2.gz PMVQCBKXSWDGDV-OWYHZJEWSA-N 2 1 316.489 3.443 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CCC2)[C@H](C)C1 ZINC000183959034 323351993 /nfs/dbraw/zinc/35/19/93/323351993.db2.gz QTSHPFBPDXLYAO-SJLPKXTDSA-N 2 1 316.489 3.437 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185279431 323385847 /nfs/dbraw/zinc/38/58/47/323385847.db2.gz NSQURKJOWRKOEF-RDJZCZTQSA-N 2 1 322.468 3.334 20 0 DGADMP C[C@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681985 323392574 /nfs/dbraw/zinc/39/25/74/323392574.db2.gz QUQOWRCBMRMTTQ-UONOGXRCSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@H]([NH2+]CCCCCn1cccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724481 323394579 /nfs/dbraw/zinc/39/45/79/323394579.db2.gz WLLKIRRRWAKGLS-ZWKOTPCHSA-N 2 1 318.509 3.296 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000185870156 323397780 /nfs/dbraw/zinc/39/77/80/323397780.db2.gz BEKJDBUJBWEPPV-QZTJIDSGSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000381100680 323614185 /nfs/dbraw/zinc/61/41/85/323614185.db2.gz ZKOHSNUCDAYKIL-HGKCTWBKSA-N 2 1 302.462 3.197 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000580665780 324024401 /nfs/dbraw/zinc/02/44/01/324024401.db2.gz JUHDRWOFOBISHW-SLFFLAALSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c2ccccn21 ZINC000581195242 324086693 /nfs/dbraw/zinc/08/66/93/324086693.db2.gz OQHQVIXWLXAYDW-INIZCTEOSA-N 2 1 312.461 3.126 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c2ccccn21 ZINC000581195242 324086701 /nfs/dbraw/zinc/08/67/01/324086701.db2.gz OQHQVIXWLXAYDW-INIZCTEOSA-N 2 1 312.461 3.126 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000581645607 324139864 /nfs/dbraw/zinc/13/98/64/324139864.db2.gz KGPAKIMBNBRXCR-JAPHFTBRSA-N 2 1 316.489 3.257 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000582128757 324192789 /nfs/dbraw/zinc/19/27/89/324192789.db2.gz HGLYFUXSAFLTQU-LZBKUMLDSA-N 2 1 316.489 3.471 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000582128757 324192791 /nfs/dbraw/zinc/19/27/91/324192791.db2.gz HGLYFUXSAFLTQU-LZBKUMLDSA-N 2 1 316.489 3.471 20 0 DGADMP CCC[N@@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)C(C)C ZINC000582554087 324245628 /nfs/dbraw/zinc/24/56/28/324245628.db2.gz BQRLWDDKSJMAMF-INIZCTEOSA-N 2 1 303.450 3.134 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000582778091 324273647 /nfs/dbraw/zinc/27/36/47/324273647.db2.gz GKOVURMSOFXEID-VFBMKALASA-N 2 1 306.400 3.427 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000582778091 324273649 /nfs/dbraw/zinc/27/36/49/324273649.db2.gz GKOVURMSOFXEID-VFBMKALASA-N 2 1 306.400 3.427 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)c1 ZINC000582825869 324280036 /nfs/dbraw/zinc/28/00/36/324280036.db2.gz SDCDOAMFNXTIKW-MRXNPFEDSA-N 2 1 317.477 3.176 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)c1 ZINC000582825869 324280040 /nfs/dbraw/zinc/28/00/40/324280040.db2.gz SDCDOAMFNXTIKW-MRXNPFEDSA-N 2 1 317.477 3.176 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000583433493 324352973 /nfs/dbraw/zinc/35/29/73/324352973.db2.gz HNLQGIJMGPBHGX-QGZVFWFLSA-N 2 1 309.542 3.494 20 0 DGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000583507592 324364005 /nfs/dbraw/zinc/36/40/05/324364005.db2.gz CVDYKZZXPPNRCR-HNNXBMFYSA-N 2 1 304.463 3.127 20 0 DGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000583507592 324364010 /nfs/dbraw/zinc/36/40/10/324364010.db2.gz CVDYKZZXPPNRCR-HNNXBMFYSA-N 2 1 304.463 3.127 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000435447767 533743266 /nfs/dbraw/zinc/74/32/66/533743266.db2.gz REEPFHJRMPDHSR-ZBFHGGJFSA-N 2 1 308.441 3.087 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1N(C)C ZINC000295917275 533814064 /nfs/dbraw/zinc/81/40/64/533814064.db2.gz JORBRIOTFASEST-WWTUQBGBSA-N 2 1 305.441 3.168 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1N(C)C ZINC000295917275 533814068 /nfs/dbraw/zinc/81/40/68/533814068.db2.gz JORBRIOTFASEST-WWTUQBGBSA-N 2 1 305.441 3.168 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000442779094 533841727 /nfs/dbraw/zinc/84/17/27/533841727.db2.gz LKQHCLSGPSZRCI-HZPDHXFCSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424144298 533886306 /nfs/dbraw/zinc/88/63/06/533886306.db2.gz LBRIYDOEYBHWRN-KBAYOESNSA-N 2 1 323.525 3.005 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OCCC(C)C ZINC000422883598 533905714 /nfs/dbraw/zinc/90/57/14/533905714.db2.gz QUTNTZDQWUCVQL-HOTGVXAUSA-N 2 1 306.450 3.090 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ccccc3c2)CCCO1 ZINC000432364649 533937804 /nfs/dbraw/zinc/93/78/04/533937804.db2.gz KUDHPVPFODSOMK-KRWDZBQOSA-N 2 1 312.457 3.430 20 0 DGADMP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000153309399 533977606 /nfs/dbraw/zinc/97/76/06/533977606.db2.gz NEOFVUGJOZKVMX-KBPBESRZSA-N 2 1 319.474 3.495 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415039019 533988828 /nfs/dbraw/zinc/98/88/28/533988828.db2.gz IKYPCLVUZZZCDU-UIAACRFSSA-N 2 1 312.432 3.492 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000415136099 534036325 /nfs/dbraw/zinc/03/63/25/534036325.db2.gz XCUXWAUVKYDBAS-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCCC[C@H]1C ZINC000442724605 534081589 /nfs/dbraw/zinc/08/15/89/534081589.db2.gz ZVWCASCLKJKYPP-PMPSAXMXSA-N 2 1 311.473 3.488 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCCC[C@H]1C ZINC000442724605 534081600 /nfs/dbraw/zinc/08/16/00/534081600.db2.gz ZVWCASCLKJKYPP-PMPSAXMXSA-N 2 1 311.473 3.488 20 0 DGADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415112148 534209161 /nfs/dbraw/zinc/20/91/61/534209161.db2.gz RKYZVLNXFSUIHB-WMLDXEAASA-N 2 1 315.461 3.045 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)s2)o1 ZINC000415124981 534216205 /nfs/dbraw/zinc/21/62/05/534216205.db2.gz KTRVFZIUJSXDHR-AAEUAGOBSA-N 2 1 305.447 3.128 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)s2)o1 ZINC000415124981 534216213 /nfs/dbraw/zinc/21/62/13/534216213.db2.gz KTRVFZIUJSXDHR-AAEUAGOBSA-N 2 1 305.447 3.128 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](CC[NH3+])C3)s2)o1 ZINC000442919912 534216370 /nfs/dbraw/zinc/21/63/70/534216370.db2.gz KJHQULFIGUJNGW-CYBMUJFWSA-N 2 1 305.447 3.272 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422767598 534238989 /nfs/dbraw/zinc/23/89/89/534238989.db2.gz SZFFSYYJZCNTHR-SLEUVZQESA-N 2 1 311.267 3.110 20 0 DGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)nc2c1 ZINC000297604650 534363499 /nfs/dbraw/zinc/36/34/99/534363499.db2.gz ZWKZVVOJUVBZEY-INIZCTEOSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000297604650 534363505 /nfs/dbraw/zinc/36/35/05/534363505.db2.gz ZWKZVVOJUVBZEY-INIZCTEOSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000297604650 534363514 /nfs/dbraw/zinc/36/35/14/534363514.db2.gz ZWKZVVOJUVBZEY-INIZCTEOSA-N 2 1 312.461 3.050 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000157169914 520631641 /nfs/dbraw/zinc/63/16/41/520631641.db2.gz RVMQJPVBRARJKG-GOSISDBHSA-N 2 1 324.509 3.164 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000154707981 521021994 /nfs/dbraw/zinc/02/19/94/521021994.db2.gz AGHIIQVOBALLPO-KRWDZBQOSA-N 2 1 324.509 3.162 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000154707981 521021996 /nfs/dbraw/zinc/02/19/96/521021996.db2.gz AGHIIQVOBALLPO-KRWDZBQOSA-N 2 1 324.509 3.162 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000430648030 534596425 /nfs/dbraw/zinc/59/64/25/534596425.db2.gz YQTPUJNNTASEGY-UHFFFAOYSA-N 2 1 315.486 3.099 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000443078971 534652808 /nfs/dbraw/zinc/65/28/08/534652808.db2.gz XWSNXRQFKGWIIX-GFCCVEGCSA-N 2 1 317.260 3.433 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000442917348 534653300 /nfs/dbraw/zinc/65/33/00/534653300.db2.gz DGTJSUFAKZYZAM-CYBMUJFWSA-N 2 1 318.852 3.291 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccs1 ZINC000154482542 522826802 /nfs/dbraw/zinc/82/68/02/522826802.db2.gz WEJMKVXKASLGIQ-MRXNPFEDSA-N 2 1 309.523 3.207 20 0 DGADMP Cc1[nH+]c2ccccc2c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1C ZINC000302102844 534671592 /nfs/dbraw/zinc/67/15/92/534671592.db2.gz VVKVMDRXSIQJTR-JKSUJKDBSA-N 2 1 313.445 3.373 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187746655 523816930 /nfs/dbraw/zinc/81/69/30/523816930.db2.gz MQIURCGNVCCBKA-CQSZACIVSA-N 2 1 310.869 3.144 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)s1 ZINC000159227134 524023856 /nfs/dbraw/zinc/02/38/56/524023856.db2.gz HHMSTDHOCLTLQU-CQSZACIVSA-N 2 1 310.507 3.462 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000181267366 524910462 /nfs/dbraw/zinc/91/04/62/524910462.db2.gz OJUCISAXQKVEPO-AOIWGVFYSA-N 2 1 315.505 3.495 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@H+]1C ZINC000157422293 525443630 /nfs/dbraw/zinc/44/36/30/525443630.db2.gz ZWYPRKGSDYFVJB-TZMCWYRMSA-N 2 1 303.837 3.461 20 0 DGADMP CC(C)(C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCCC1 ZINC000442649197 527178072 /nfs/dbraw/zinc/17/80/72/527178072.db2.gz NTPKGEXIQXMTBP-HNNXBMFYSA-N 2 1 311.473 3.489 20 0 DGADMP CCCCCC(=O)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444594992 528106846 /nfs/dbraw/zinc/10/68/46/528106846.db2.gz VEPWLAWOYZZWJN-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415054019 528150999 /nfs/dbraw/zinc/15/09/99/528150999.db2.gz PJIKQURZNIDSBT-MJGOQNOKSA-N 2 1 302.462 3.438 20 0 DGADMP CCCCC[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681537 528182234 /nfs/dbraw/zinc/18/22/34/528182234.db2.gz KPYUAIKRPFKNJE-MRXNPFEDSA-N 2 1 304.482 3.037 20 0 DGADMP CC(C)c1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000178919559 528499527 /nfs/dbraw/zinc/49/95/27/528499527.db2.gz YYDWIBKAQWFFKR-UHFFFAOYSA-N 2 1 320.481 3.281 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC ZINC000442918105 528653014 /nfs/dbraw/zinc/65/30/14/528653014.db2.gz FUVKSLMSOVDNNS-INIZCTEOSA-N 2 1 320.477 3.435 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000430554667 528859921 /nfs/dbraw/zinc/85/99/21/528859921.db2.gz HARLTGGZLCKOJU-LJQANCHMSA-N 2 1 313.445 3.131 20 0 DGADMP CC(C)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC000431567312 528905710 /nfs/dbraw/zinc/90/57/10/528905710.db2.gz UVAJQQLHQVCERV-GOSISDBHSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H]4CCC[C@@H]43)sc2C1 ZINC000428463037 529085367 /nfs/dbraw/zinc/08/53/67/529085367.db2.gz VHCMQCWZUFFECQ-HIFRSBDPSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H]4CCC[C@@H]43)sc2C1 ZINC000428463037 529085369 /nfs/dbraw/zinc/08/53/69/529085369.db2.gz VHCMQCWZUFFECQ-HIFRSBDPSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)sc2C1 ZINC000428463037 529085370 /nfs/dbraw/zinc/08/53/70/529085370.db2.gz VHCMQCWZUFFECQ-HIFRSBDPSA-N 2 1 305.491 3.284 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H]4CCC[C@@H]43)sc2C1 ZINC000428463037 529085372 /nfs/dbraw/zinc/08/53/72/529085372.db2.gz VHCMQCWZUFFECQ-HIFRSBDPSA-N 2 1 305.491 3.284 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000449628993 536553038 /nfs/dbraw/zinc/55/30/38/536553038.db2.gz JUVOCAVIAMVMNW-LPWQTFTOSA-N 2 1 316.489 3.300 20 0 DGADMP CC(C)(C)c1nc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000459462176 535162125 /nfs/dbraw/zinc/16/21/25/535162125.db2.gz UHUDLNDDZMZCCG-UHFFFAOYSA-N 2 1 307.507 3.200 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)[C@@H]1c1cccs1 ZINC000494606459 536387168 /nfs/dbraw/zinc/38/71/68/536387168.db2.gz BNWUUAPTVRUYTN-RHSMWYFYSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)[C@@H]1c1cccs1 ZINC000494606459 536387170 /nfs/dbraw/zinc/38/71/70/536387170.db2.gz BNWUUAPTVRUYTN-RHSMWYFYSA-N 2 1 319.449 3.455 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000088671269 545811901 /nfs/dbraw/zinc/81/19/01/545811901.db2.gz BHQAJHGCGZUUPK-APWZRJJASA-N 2 1 313.489 3.038 20 0 DGADMP C[C@@H]1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000090966436 545832792 /nfs/dbraw/zinc/83/27/92/545832792.db2.gz QYJBEJMUBSTGBY-IAGOWNOFSA-N 2 1 316.489 3.239 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](C)C1 ZINC000115628840 545874412 /nfs/dbraw/zinc/87/44/12/545874412.db2.gz ATQBZCRNQJAURT-FXAWDEMLSA-N 2 1 318.505 3.476 20 0 DGADMP CCC[NH+]1CCC(NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000119095010 545876530 /nfs/dbraw/zinc/87/65/30/545876530.db2.gz FYDDNWBUQQISKY-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000119095010 545876537 /nfs/dbraw/zinc/87/65/37/545876537.db2.gz FYDDNWBUQQISKY-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[NH+]1CCC(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000119680872 545881855 /nfs/dbraw/zinc/88/18/55/545881855.db2.gz HSZASTCOTDJAIS-SJORKVTESA-N 3 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000119680872 545881860 /nfs/dbraw/zinc/88/18/60/545881860.db2.gz HSZASTCOTDJAIS-SJORKVTESA-N 3 1 307.526 3.103 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132341979 545963188 /nfs/dbraw/zinc/96/31/88/545963188.db2.gz RRZPZFCTCLBRBY-VQIMIIECSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000153427156 546009331 /nfs/dbraw/zinc/00/93/31/546009331.db2.gz WERBPWVUWOHMOP-MJGOQNOKSA-N 3 1 309.542 3.063 20 0 DGADMP CCC[NH+]1CCC(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000156192805 546032684 /nfs/dbraw/zinc/03/26/84/546032684.db2.gz ADHFTLWMARLGNH-GOSISDBHSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000158115525 546045588 /nfs/dbraw/zinc/04/55/88/546045588.db2.gz FXLFDXHIQDFAQM-INIZCTEOSA-N 2 1 302.462 3.392 20 0 DGADMP c1csc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000165948546 546093416 /nfs/dbraw/zinc/09/34/16/546093416.db2.gz MFCLAENJTNTIAO-BBWFWOEESA-N 2 1 319.518 3.101 20 0 DGADMP CC(C)COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166425512 546094700 /nfs/dbraw/zinc/09/47/00/546094700.db2.gz QRZPXBCBTNAZSE-ZACQAIPSSA-N 2 1 306.450 3.210 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC3([NH3+])CCC3)c2C1 ZINC000166935988 546096365 /nfs/dbraw/zinc/09/63/65/546096365.db2.gz IFQDAGBOBJLXHO-UHFFFAOYSA-N 2 1 315.461 3.258 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235485327 546278744 /nfs/dbraw/zinc/27/87/44/546278744.db2.gz SXCNHRGOQLOUHI-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP c1coc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCCC2)c1 ZINC000247041682 546308223 /nfs/dbraw/zinc/30/82/23/546308223.db2.gz VBBOVEPSRCWTHL-SQNIBIBYSA-N 2 1 317.477 3.023 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252768190 546331992 /nfs/dbraw/zinc/33/19/92/546331992.db2.gz IYSQXOXGPWCIAX-MLGOLLRUSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252768190 546331998 /nfs/dbraw/zinc/33/19/98/546331998.db2.gz IYSQXOXGPWCIAX-MLGOLLRUSA-N 2 1 303.837 3.447 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000280073881 546378843 /nfs/dbraw/zinc/37/88/43/546378843.db2.gz LDLOXHYVIKFHGU-AZUAARDMSA-N 2 1 323.484 3.433 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000282513588 546391902 /nfs/dbraw/zinc/39/19/02/546391902.db2.gz TVGGHVZEFVOPHL-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000282513588 546391907 /nfs/dbraw/zinc/39/19/07/546391907.db2.gz TVGGHVZEFVOPHL-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500762 546396685 /nfs/dbraw/zinc/39/66/85/546396685.db2.gz CPJCBTCVECDVRK-JKSUJKDBSA-N 2 1 312.461 3.492 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500762 546396689 /nfs/dbraw/zinc/39/66/89/546396689.db2.gz CPJCBTCVECDVRK-JKSUJKDBSA-N 2 1 312.461 3.492 20 0 DGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc2c1 ZINC000324311673 546478486 /nfs/dbraw/zinc/47/84/86/546478486.db2.gz MTSBHGAFPMMEBT-ICSRJNTNSA-N 2 1 310.441 3.409 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337380542 546519326 /nfs/dbraw/zinc/51/93/26/546519326.db2.gz IYWSYGGLQJZMSM-JKSUJKDBSA-N 2 1 322.493 3.263 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072289 546533246 /nfs/dbraw/zinc/53/32/46/546533246.db2.gz VPUPHHJOPFOPKQ-SJORKVTESA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072289 546533249 /nfs/dbraw/zinc/53/32/49/546533249.db2.gz VPUPHHJOPFOPKQ-SJORKVTESA-N 2 1 315.461 3.119 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)oc1C ZINC000348122760 546586478 /nfs/dbraw/zinc/58/64/78/546586478.db2.gz UFAVCOXFNHPONV-ZWKOTPCHSA-N 2 1 317.477 3.282 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352771041 546655550 /nfs/dbraw/zinc/65/55/50/546655550.db2.gz WCVNMDYAHDAEJO-INIZCTEOSA-N 2 1 320.502 3.096 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358708899 546705874 /nfs/dbraw/zinc/70/58/74/546705874.db2.gz CQCBFYGMCUGFEG-BJLQDIEVSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000386521542 546746026 /nfs/dbraw/zinc/74/60/26/546746026.db2.gz UYROZBCHXSMVEW-CRAIPNDOSA-N 2 1 304.503 3.177 20 0 DGADMP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000386521545 546746078 /nfs/dbraw/zinc/74/60/78/546746078.db2.gz UYROZBCHXSMVEW-QAPCUYQASA-N 2 1 304.503 3.177 20 0 DGADMP FC1(F)CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000390035416 546752532 /nfs/dbraw/zinc/75/25/32/546752532.db2.gz AFJKKIBIMHBQQI-KRWDZBQOSA-N 2 1 308.416 3.471 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC000390657813 546754637 /nfs/dbraw/zinc/75/46/37/546754637.db2.gz XAVXIUVSHKSAAM-ZFWWWQNUSA-N 2 1 314.351 3.146 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000409447414 546769269 /nfs/dbraw/zinc/76/92/69/546769269.db2.gz LZNJJEBDTMGKIC-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000409447414 546769270 /nfs/dbraw/zinc/76/92/70/546769270.db2.gz LZNJJEBDTMGKIC-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000409447414 546769278 /nfs/dbraw/zinc/76/92/78/546769278.db2.gz LZNJJEBDTMGKIC-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)C[C@@H]1c1ccccc1 ZINC000453304074 546858816 /nfs/dbraw/zinc/85/88/16/546858816.db2.gz FQBDNGUCGOFVCV-ZWKOTPCHSA-N 2 1 320.452 3.178 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)C[C@@H]1c1ccccc1 ZINC000453304074 546858819 /nfs/dbraw/zinc/85/88/19/546858819.db2.gz FQBDNGUCGOFVCV-ZWKOTPCHSA-N 2 1 320.452 3.178 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000453394255 546860423 /nfs/dbraw/zinc/86/04/23/546860423.db2.gz ZXGHOZXUFVJCRR-NZSAHSFTSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000453394255 546860429 /nfs/dbraw/zinc/86/04/29/546860429.db2.gz ZXGHOZXUFVJCRR-NZSAHSFTSA-N 2 1 302.462 3.228 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453405500 546861293 /nfs/dbraw/zinc/86/12/93/546861293.db2.gz OUURTIWCPIZYPZ-ZSYWTGECSA-N 2 1 302.462 3.369 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453405500 546861297 /nfs/dbraw/zinc/86/12/97/546861297.db2.gz OUURTIWCPIZYPZ-ZSYWTGECSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)ccc1C[NH+](C)C ZINC000458273325 546885485 /nfs/dbraw/zinc/88/54/85/546885485.db2.gz WSCGNZXWYNQOBJ-INIZCTEOSA-N 2 1 317.477 3.260 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000470164542 546900222 /nfs/dbraw/zinc/90/02/22/546900222.db2.gz ZJATYNYKCGTVNX-GJZGRUSLSA-N 2 1 310.457 3.333 20 0 DGADMP Cc1cc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603886 546949768 /nfs/dbraw/zinc/94/97/68/546949768.db2.gz NKVAPGBHGDYOPA-APWZRJJASA-N 2 1 324.472 3.228 20 0 DGADMP Cc1cc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603886 546949772 /nfs/dbraw/zinc/94/97/72/546949772.db2.gz NKVAPGBHGDYOPA-APWZRJJASA-N 2 1 324.472 3.228 20 0 DGADMP CCCn1nccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000667502123 547204568 /nfs/dbraw/zinc/20/45/68/547204568.db2.gz UYHFDPFPKHPFTA-UHFFFAOYSA-N 2 1 318.509 3.381 20 0 DGADMP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCCCO1 ZINC000667601345 547240732 /nfs/dbraw/zinc/24/07/32/547240732.db2.gz YFJZEXVEBMSIHR-SFHVURJKSA-N 2 1 314.433 3.048 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801538 547306328 /nfs/dbraw/zinc/30/63/28/547306328.db2.gz LWSDCLJITLZZRQ-JOCLIGHLSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801538 547306332 /nfs/dbraw/zinc/30/63/32/547306332.db2.gz LWSDCLJITLZZRQ-JOCLIGHLSA-N 2 1 314.473 3.186 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667809552 547308736 /nfs/dbraw/zinc/30/87/36/547308736.db2.gz LKIYXNLYSRJCOE-RTBURBONSA-N 2 1 302.462 3.184 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667887094 547327160 /nfs/dbraw/zinc/32/71/60/547327160.db2.gz HBTCDBMDJXELJG-XCLNPWKQSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667887094 547327166 /nfs/dbraw/zinc/32/71/66/547327166.db2.gz HBTCDBMDJXELJG-XCLNPWKQSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000667890049 547328145 /nfs/dbraw/zinc/32/81/45/547328145.db2.gz VAMDYVKBPVRFFB-GEALJGNFSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000667890049 547328148 /nfs/dbraw/zinc/32/81/48/547328148.db2.gz VAMDYVKBPVRFFB-GEALJGNFSA-N 2 1 314.473 3.197 20 0 DGADMP CCCOc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C)c1 ZINC000667947341 547343272 /nfs/dbraw/zinc/34/32/72/547343272.db2.gz NFCBYQJBWFOBQD-VQIMIIECSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C)c1 ZINC000667947341 547343276 /nfs/dbraw/zinc/34/32/76/547343276.db2.gz NFCBYQJBWFOBQD-VQIMIIECSA-N 2 1 302.462 3.310 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000668100673 547383235 /nfs/dbraw/zinc/38/32/35/547383235.db2.gz URIRBJYZZIORDX-QGZVFWFLSA-N 2 1 320.477 3.018 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000668100673 547383239 /nfs/dbraw/zinc/38/32/39/547383239.db2.gz URIRBJYZZIORDX-QGZVFWFLSA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1OC ZINC000668160881 547397693 /nfs/dbraw/zinc/39/76/93/547397693.db2.gz JUIZVTILNHMGRA-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1OC ZINC000668160881 547397700 /nfs/dbraw/zinc/39/77/00/547397700.db2.gz JUIZVTILNHMGRA-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000668172403 547403150 /nfs/dbraw/zinc/40/31/50/547403150.db2.gz MZJXTHNRCSABGD-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1 ZINC000668172403 547403152 /nfs/dbraw/zinc/40/31/52/547403152.db2.gz MZJXTHNRCSABGD-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1 ZINC000668172403 547403154 /nfs/dbraw/zinc/40/31/54/547403154.db2.gz MZJXTHNRCSABGD-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP c1cc(C[N@H+]2CCCc3ccccc3CC2)n(-c2cc[nH+]cc2)n1 ZINC000668223957 547420628 /nfs/dbraw/zinc/42/06/28/547420628.db2.gz ZENQWMIJKGGEOJ-UHFFFAOYSA-N 2 1 318.424 3.258 20 0 DGADMP C[C@]12C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000668227560 547423036 /nfs/dbraw/zinc/42/30/36/547423036.db2.gz NFBMVRGDSGVHGV-WTLGNFPFSA-N 2 1 308.429 3.135 20 0 DGADMP C[C@]12C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000668227560 547423038 /nfs/dbraw/zinc/42/30/38/547423038.db2.gz NFBMVRGDSGVHGV-WTLGNFPFSA-N 2 1 308.429 3.135 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588311 547486131 /nfs/dbraw/zinc/48/61/31/547486131.db2.gz YCNMHNRSLIQDPC-NVXWUHKLSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588311 547486134 /nfs/dbraw/zinc/48/61/34/547486134.db2.gz YCNMHNRSLIQDPC-NVXWUHKLSA-N 2 1 302.462 3.320 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000668591731 547487086 /nfs/dbraw/zinc/48/70/86/547487086.db2.gz AZAXVJKCKGTGFU-MRXNPFEDSA-N 2 1 308.441 3.199 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000668675428 547505936 /nfs/dbraw/zinc/50/59/36/547505936.db2.gz BMNVCNVCAPENCT-QZTJIDSGSA-N 2 1 300.446 3.003 20 0 DGADMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713506 547516778 /nfs/dbraw/zinc/51/67/78/547516778.db2.gz RUDUSBWYUFNMRE-IEBWSBKVSA-N 2 1 316.489 3.161 20 0 DGADMP COC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713508 547517423 /nfs/dbraw/zinc/51/74/23/547517423.db2.gz RUDUSBWYUFNMRE-PKOBYXMFSA-N 2 1 316.489 3.161 20 0 DGADMP CCCc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668784867 547540434 /nfs/dbraw/zinc/54/04/34/547540434.db2.gz JRROZQGPIZNVIN-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP CCCc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668784867 547540439 /nfs/dbraw/zinc/54/04/39/547540439.db2.gz JRROZQGPIZNVIN-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785650 547540833 /nfs/dbraw/zinc/54/08/33/547540833.db2.gz UITJGLYZYJQQGW-QUCCMNQESA-N 2 1 318.505 3.298 20 0 DGADMP CCSc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668785689 547541254 /nfs/dbraw/zinc/54/12/54/547541254.db2.gz VGJYFJWZEMDSGB-QGZVFWFLSA-N 2 1 322.518 3.341 20 0 DGADMP CCSc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668785689 547541256 /nfs/dbraw/zinc/54/12/56/547541256.db2.gz VGJYFJWZEMDSGB-QGZVFWFLSA-N 2 1 322.518 3.341 20 0 DGADMP CC[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785792 547541422 /nfs/dbraw/zinc/54/14/22/547541422.db2.gz XLQAFQOHRNGYDY-HKUYNNGSSA-N 2 1 304.478 3.223 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cn[nH]c1 ZINC000671120092 547769902 /nfs/dbraw/zinc/76/99/02/547769902.db2.gz LWIWSCQRLVQMMF-JQERWDHBSA-N 2 1 324.472 3.361 20 0 DGADMP CCOC1CC(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671686259 547809397 /nfs/dbraw/zinc/80/93/97/547809397.db2.gz FVCBRZHKIIHFQO-OTBHMBEGSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739644 547822303 /nfs/dbraw/zinc/82/23/03/547822303.db2.gz FFZGCYFPFIMMMN-ZDUSSCGKSA-N 2 1 303.406 3.060 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671746560 547824678 /nfs/dbraw/zinc/82/46/78/547824678.db2.gz CKOVQVRKNNNABE-NEPJUHHUSA-N 2 1 314.389 3.025 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671751316 547826375 /nfs/dbraw/zinc/82/63/75/547826375.db2.gz FBBMGQRYFFXKLG-GFCCVEGCSA-N 2 1 303.406 3.057 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)[NH+]1CCCCC1 ZINC000671760432 547829438 /nfs/dbraw/zinc/82/94/38/547829438.db2.gz IJOAPQQZOOZELR-KBPBESRZSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671762237 547829634 /nfs/dbraw/zinc/82/96/34/547829634.db2.gz LIBVOZYBFLDSMR-ZDUSSCGKSA-N 2 1 317.433 3.306 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675881166 548283415 /nfs/dbraw/zinc/28/34/15/548283415.db2.gz KFFHDCFOCHLKIU-LPHOPBHVSA-N 2 1 302.462 3.289 20 0 DGADMP FC(F)Oc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000677235638 548472491 /nfs/dbraw/zinc/47/24/91/548472491.db2.gz FUANVXBAQODJCR-LSDHHAIUSA-N 2 1 310.388 3.047 20 0 DGADMP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237678 548473279 /nfs/dbraw/zinc/47/32/79/548473279.db2.gz NMSVJIFVJDIENP-RTBURBONSA-N 2 1 302.462 3.328 20 0 DGADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000677241698 548474195 /nfs/dbraw/zinc/47/41/95/548474195.db2.gz UAFRPXSUPXURTC-XUVXKRRUSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000677241698 548474200 /nfs/dbraw/zinc/47/42/00/548474200.db2.gz UAFRPXSUPXURTC-XUVXKRRUSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000677241698 548474201 /nfs/dbraw/zinc/47/42/01/548474201.db2.gz UAFRPXSUPXURTC-XUVXKRRUSA-N 2 1 319.537 3.248 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1F ZINC000677242373 548474856 /nfs/dbraw/zinc/47/48/56/548474856.db2.gz ZLSFJJKHIVWWQF-HRCADAONSA-N 2 1 306.425 3.200 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@H+]1C ZINC000677749620 548550473 /nfs/dbraw/zinc/55/04/73/548550473.db2.gz LNFABROIWMGBPY-QRQLOZEOSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749620 548550476 /nfs/dbraw/zinc/55/04/76/548550476.db2.gz LNFABROIWMGBPY-QRQLOZEOSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749620 548550481 /nfs/dbraw/zinc/55/04/81/548550481.db2.gz LNFABROIWMGBPY-QRQLOZEOSA-N 2 1 315.505 3.112 20 0 DGADMP CC1(C)CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000678074244 548606968 /nfs/dbraw/zinc/60/69/68/548606968.db2.gz DCJMCSCAZRXRLH-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000678074243 548607242 /nfs/dbraw/zinc/60/72/42/548607242.db2.gz DCJMCSCAZRXRLH-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](Cc1ccoc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678210382 548638797 /nfs/dbraw/zinc/63/87/97/548638797.db2.gz KVOVESAHYIWLPK-UHFFFAOYSA-N 2 1 314.429 3.386 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000678267041 548662465 /nfs/dbraw/zinc/66/24/65/548662465.db2.gz LZXDTIDCYNPIQG-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000678281683 548669077 /nfs/dbraw/zinc/66/90/77/548669077.db2.gz SQNGDSCBPZILLR-QZTJIDSGSA-N 2 1 314.473 3.361 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000678285241 548670394 /nfs/dbraw/zinc/67/03/94/548670394.db2.gz QKRJCFLLQMCNFV-IBGZPJMESA-N 2 1 314.473 3.393 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000678334923 548681559 /nfs/dbraw/zinc/68/15/59/548681559.db2.gz YELZHBIYFZXOBM-SJORKVTESA-N 2 1 302.462 3.392 20 0 DGADMP Clc1ccccc1-c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000678342871 548684250 /nfs/dbraw/zinc/68/42/50/548684250.db2.gz DLLGFWMFCDUFRO-CHWSQXEVSA-N 2 1 302.805 3.251 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678343420 548684482 /nfs/dbraw/zinc/68/44/82/548684482.db2.gz UMFBEJJXENSUKE-OKILXGFUSA-N 2 1 300.377 3.045 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678343420 548684485 /nfs/dbraw/zinc/68/44/85/548684485.db2.gz UMFBEJJXENSUKE-OKILXGFUSA-N 2 1 300.377 3.045 20 0 DGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678586416 548732337 /nfs/dbraw/zinc/73/23/37/548732337.db2.gz ZJZIJUBLCWWJGT-IRXDYDNUSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000678770013 548760400 /nfs/dbraw/zinc/76/04/00/548760400.db2.gz CMKLQLDYNLYSNZ-QAPCUYQASA-N 2 1 302.462 3.010 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCC(F)F)c2)CC1 ZINC000678773732 548761221 /nfs/dbraw/zinc/76/12/21/548761221.db2.gz RVDKPSOGVUHWBR-UHFFFAOYSA-N 2 1 312.404 3.295 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678992381 548807602 /nfs/dbraw/zinc/80/76/02/548807602.db2.gz HATMSJSDLPLTQX-HNNXBMFYSA-N 2 1 319.518 3.186 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000679573611 548919210 /nfs/dbraw/zinc/91/92/10/548919210.db2.gz AFVZTSRTNYQQIA-IHPCNDPISA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679720653 548943919 /nfs/dbraw/zinc/94/39/19/548943919.db2.gz ACZZECNNUPXFES-WBVHZDCISA-N 2 1 318.509 3.381 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679720653 548943923 /nfs/dbraw/zinc/94/39/23/548943923.db2.gz ACZZECNNUPXFES-WBVHZDCISA-N 2 1 318.509 3.381 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679940387 548966234 /nfs/dbraw/zinc/96/62/34/548966234.db2.gz OBZKPGFCMLGBSN-UXHICEINSA-N 2 1 315.505 3.288 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680352723 549037881 /nfs/dbraw/zinc/03/78/81/549037881.db2.gz SCEZYGGBSVMEOG-YSTOQKLRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000681390444 549201354 /nfs/dbraw/zinc/20/13/54/549201354.db2.gz VCQDJVIWYQHNJD-UKRRQHHQSA-N 2 1 322.415 3.341 20 0 DGADMP CO[C@]1(C(F)(F)F)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000682041593 549279614 /nfs/dbraw/zinc/27/96/14/549279614.db2.gz ZWQFQUULZUVNNT-CQSZACIVSA-N 2 1 319.371 3.015 20 0 DGADMP CO[C@]1(C(F)(F)F)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000682041593 549279616 /nfs/dbraw/zinc/27/96/16/549279616.db2.gz ZWQFQUULZUVNNT-CQSZACIVSA-N 2 1 319.371 3.015 20 0 DGADMP Cc1ncc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074042 549284138 /nfs/dbraw/zinc/28/41/38/549284138.db2.gz CKBSOLAZIFCYDS-ZSZQSSIHSA-N 2 1 314.477 3.103 20 0 DGADMP C[C@H](c1ccncc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212271 549596632 /nfs/dbraw/zinc/59/66/32/549596632.db2.gz PACFDENTESMGAR-AHRSYUTCSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@H](c1ccncc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212271 549596636 /nfs/dbraw/zinc/59/66/36/549596636.db2.gz PACFDENTESMGAR-AHRSYUTCSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@H](c1ccncc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212271 549596637 /nfs/dbraw/zinc/59/66/37/549596637.db2.gz PACFDENTESMGAR-AHRSYUTCSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@H](c1ccncc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212271 549596640 /nfs/dbraw/zinc/59/66/40/549596640.db2.gz PACFDENTESMGAR-AHRSYUTCSA-N 2 1 307.441 3.206 20 0 DGADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000684425246 549636121 /nfs/dbraw/zinc/63/61/21/549636121.db2.gz HVLIRKVBVYGMTR-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc4c(s3)CCCC4)C2)CC1 ZINC000685462846 549765486 /nfs/dbraw/zinc/76/54/86/549765486.db2.gz ROHQNVWMTUDYFL-OAHLLOKOSA-N 2 1 319.518 3.186 20 0 DGADMP CC1CC[NH+](CCCCNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733187848 574606530 /nfs/dbraw/zinc/60/65/30/574606530.db2.gz VDDZQELDWVQALG-UHFFFAOYSA-N 2 1 317.481 3.001 20 0 DGADMP CC(C)n1ccn(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1=S ZINC000738159353 574859949 /nfs/dbraw/zinc/85/99/49/574859949.db2.gz SAOLMTQHIKUMSP-AWEZNQCLSA-N 2 1 305.451 3.091 20 0 DGADMP CC(C)n1ccn(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1=S ZINC000738159353 574859951 /nfs/dbraw/zinc/85/99/51/574859951.db2.gz SAOLMTQHIKUMSP-AWEZNQCLSA-N 2 1 305.451 3.091 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743387868 575048221 /nfs/dbraw/zinc/04/82/21/575048221.db2.gz OJURMBUNIRATMG-QGZVFWFLSA-N 2 1 314.477 3.274 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743387868 575048223 /nfs/dbraw/zinc/04/82/23/575048223.db2.gz OJURMBUNIRATMG-QGZVFWFLSA-N 2 1 314.477 3.274 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743387867 575048636 /nfs/dbraw/zinc/04/86/36/575048636.db2.gz OJURMBUNIRATMG-KRWDZBQOSA-N 2 1 314.477 3.274 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743387867 575048637 /nfs/dbraw/zinc/04/86/37/575048637.db2.gz OJURMBUNIRATMG-KRWDZBQOSA-N 2 1 314.477 3.274 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729683333 575260323 /nfs/dbraw/zinc/26/03/23/575260323.db2.gz KJJMEMBDYJNWLF-VQTJNVASSA-N 2 1 322.452 3.306 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729683333 575260324 /nfs/dbraw/zinc/26/03/24/575260324.db2.gz KJJMEMBDYJNWLF-VQTJNVASSA-N 2 1 322.452 3.306 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000746706272 575471395 /nfs/dbraw/zinc/47/13/95/575471395.db2.gz NUQBFXITRAQLQW-XUVXKRRUSA-N 2 1 316.489 3.101 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000746706272 575471398 /nfs/dbraw/zinc/47/13/98/575471398.db2.gz NUQBFXITRAQLQW-XUVXKRRUSA-N 2 1 316.489 3.101 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749514818 575662034 /nfs/dbraw/zinc/66/20/34/575662034.db2.gz MHQWXBSZCLQOSL-FXAWDEMLSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749514818 575662038 /nfs/dbraw/zinc/66/20/38/575662038.db2.gz MHQWXBSZCLQOSL-FXAWDEMLSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749514818 575662041 /nfs/dbraw/zinc/66/20/41/575662041.db2.gz MHQWXBSZCLQOSL-FXAWDEMLSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC000310483681 575931975 /nfs/dbraw/zinc/93/19/75/575931975.db2.gz FJCLYPNGQZTWGN-GBESFXJTSA-N 2 1 322.456 3.416 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC000310483681 575931980 /nfs/dbraw/zinc/93/19/80/575931980.db2.gz FJCLYPNGQZTWGN-GBESFXJTSA-N 2 1 322.456 3.416 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852728719 620643474 /nfs/dbraw/zinc/64/34/74/620643474.db2.gz GERDGZSGOFOPDI-IAGOWNOFSA-N 2 1 321.852 3.193 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)n1 ZINC000852749267 620645501 /nfs/dbraw/zinc/64/55/01/620645501.db2.gz JWXFVSVHQPHFGX-HUUCEWRRSA-N 2 1 307.869 3.255 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239130 620680823 /nfs/dbraw/zinc/68/08/23/620680823.db2.gz ANHMTCDJHIKSAI-MAUKXSAKSA-N 2 1 304.453 3.468 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000892225098 617989480 /nfs/dbraw/zinc/98/94/80/617989480.db2.gz MCJNDJLXCJAJLX-MOPGFXCFSA-N 2 1 320.452 3.055 20 0 DGADMP C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000926197368 617843526 /nfs/dbraw/zinc/84/35/26/617843526.db2.gz PNTRJWPMVKCIFU-PBHICJAKSA-N 2 1 302.418 3.116 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CNc1nccn2c[nH+]cc12 ZINC000891602928 617849878 /nfs/dbraw/zinc/84/98/78/617849878.db2.gz RTORFQXEVNXNTH-UHFFFAOYSA-N 2 1 309.417 3.183 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1csc(C(F)(F)F)c1 ZINC000926204694 617859227 /nfs/dbraw/zinc/85/92/27/617859227.db2.gz UFRTZLINCPNWSQ-VIFPVBQESA-N 2 1 303.353 3.394 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n1)CCCC2 ZINC000892087068 617959072 /nfs/dbraw/zinc/95/90/72/617959072.db2.gz ZDGOQWCUNXJNEX-SFHVURJKSA-N 2 1 313.489 3.411 20 0 DGADMP c1cc2c(c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n1)CCCC2 ZINC000892087068 617959074 /nfs/dbraw/zinc/95/90/74/617959074.db2.gz ZDGOQWCUNXJNEX-SFHVURJKSA-N 2 1 313.489 3.411 20 0 DGADMP CC(C)CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926673909 618082932 /nfs/dbraw/zinc/08/29/32/618082932.db2.gz MAIHNDWSVZWDTO-OALUTQOASA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926673909 618082940 /nfs/dbraw/zinc/08/29/40/618082940.db2.gz MAIHNDWSVZWDTO-OALUTQOASA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924580829 618123130 /nfs/dbraw/zinc/12/31/30/618123130.db2.gz XOANPUGXSXWLGQ-RBUKOAKNSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cn1 ZINC000892633809 618123172 /nfs/dbraw/zinc/12/31/72/618123172.db2.gz JGQMHQBGXGQKKE-GOSISDBHSA-N 2 1 318.424 3.395 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)nc3c2CCCC3)C1 ZINC000892745486 618300378 /nfs/dbraw/zinc/30/03/78/618300378.db2.gz QLLOXNVLGMYOAD-MRXNPFEDSA-N 2 1 301.478 3.090 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000925057232 618301123 /nfs/dbraw/zinc/30/11/23/618301123.db2.gz OTFIEPLLPNOICO-RBUKOAKNSA-N 2 1 314.473 3.215 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCOC(F)F)CC1)CC(C)C ZINC000851892995 618303016 /nfs/dbraw/zinc/30/30/16/618303016.db2.gz SXTHOWXBMRNOPI-UHFFFAOYSA-N 2 1 306.441 3.306 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c(C)n1 ZINC000892773812 618307487 /nfs/dbraw/zinc/30/74/87/618307487.db2.gz CYUGMWZBSYLGLH-UHFFFAOYSA-N 2 1 318.509 3.346 20 0 DGADMP C[C@@H]1C[C@H](Nc2nccn3cncc23)CC[N@H+]1Cc1ccccc1 ZINC000892848047 618327484 /nfs/dbraw/zinc/32/74/84/618327484.db2.gz QUUWNVKDKICFPW-NVXWUHKLSA-N 2 1 321.428 3.194 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c2c(n1)CCCC2 ZINC000894457703 618338810 /nfs/dbraw/zinc/33/88/10/618338810.db2.gz DVJRMZADLSVASI-INIZCTEOSA-N 2 1 301.478 3.089 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnn(C3CCC3)c2)cc1 ZINC000894455308 618339899 /nfs/dbraw/zinc/33/98/99/618339899.db2.gz DGAZBSRQPMBTNM-UHFFFAOYSA-N 2 1 312.461 3.302 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(F)cc1C ZINC000894479342 618349596 /nfs/dbraw/zinc/34/95/96/618349596.db2.gz ODSMBPYYYGFFTF-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(F)cc1C ZINC000894479342 618349600 /nfs/dbraw/zinc/34/96/00/618349600.db2.gz ODSMBPYYYGFFTF-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000894479859 618350048 /nfs/dbraw/zinc/35/00/48/618350048.db2.gz UAMFEIPZUGZTNC-IBGZPJMESA-N 2 1 315.505 3.444 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)[C@@H]1c1cccs1 ZINC000893019030 618393361 /nfs/dbraw/zinc/39/33/61/618393361.db2.gz IRKNWKJJNAIRFH-LMMWMHBBSA-N 2 1 322.518 3.414 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)[C@@H]1c1cccs1 ZINC000893019030 618393366 /nfs/dbraw/zinc/39/33/66/618393366.db2.gz IRKNWKJJNAIRFH-LMMWMHBBSA-N 2 1 322.518 3.414 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000893031372 618398345 /nfs/dbraw/zinc/39/83/45/618398345.db2.gz WZPKESHBWAJCDK-UHFFFAOYSA-N 2 1 312.461 3.344 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H](C)C1 ZINC000925078433 618430225 /nfs/dbraw/zinc/43/02/25/618430225.db2.gz MCDPSHGGTJPPEA-QXCZDIPSSA-N 2 1 306.494 3.068 20 0 DGADMP Cc1noc2ncc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)cc12 ZINC000894763831 618452843 /nfs/dbraw/zinc/45/28/43/618452843.db2.gz BJOLKNFMCQQATH-UHFFFAOYSA-N 2 1 324.428 3.225 20 0 DGADMP CC(C)[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925088050 618473250 /nfs/dbraw/zinc/47/32/50/618473250.db2.gz GRJLRNCCMVQUCU-NXEWRWPSSA-N 2 1 316.489 3.179 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000925586793 618501229 /nfs/dbraw/zinc/50/12/29/618501229.db2.gz FLIRTEMRTZRJLU-CVEARBPZSA-N 2 1 305.466 3.109 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000925586793 618501231 /nfs/dbraw/zinc/50/12/31/618501231.db2.gz FLIRTEMRTZRJLU-CVEARBPZSA-N 2 1 305.466 3.109 20 0 DGADMP C[N@H+]1CC[C@@H](N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1(C)C ZINC000895114272 618541280 /nfs/dbraw/zinc/54/12/80/618541280.db2.gz JZNMNFHYLWSKDT-BRWVUGGUSA-N 2 1 316.493 3.031 20 0 DGADMP [NH3+][C@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C12CCC2 ZINC000925721778 618551421 /nfs/dbraw/zinc/55/14/21/618551421.db2.gz FTQMBUPHTFEOMY-OWCLPIDISA-N 2 1 306.837 3.063 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000925723308 618556838 /nfs/dbraw/zinc/55/68/38/618556838.db2.gz URNQZRXKBITFIS-VQIMIIECSA-N 2 1 303.494 3.175 20 0 DGADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(OC)c1OC ZINC000925731923 618585523 /nfs/dbraw/zinc/58/55/23/618585523.db2.gz DNWKJBIOMOLYPM-IMJJTQAJSA-N 2 1 304.434 3.014 20 0 DGADMP C[C@H](CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000895291057 618588861 /nfs/dbraw/zinc/58/88/61/618588861.db2.gz ZDVINJPWVFQAFC-POAQFYNOSA-N 2 1 315.505 3.284 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1OC(F)F ZINC000895299275 618590005 /nfs/dbraw/zinc/59/00/05/618590005.db2.gz HKKXWWGMRUNDOW-GFCCVEGCSA-N 2 1 316.392 3.117 20 0 DGADMP Cc1c[nH+]ccc1OC1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000893539283 618590132 /nfs/dbraw/zinc/59/01/32/618590132.db2.gz GVLBFCZAMOBJJM-UHFFFAOYSA-N 2 1 318.808 3.068 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc(OCC(F)(F)F)c1)[NH+](C)C ZINC000895299407 618590554 /nfs/dbraw/zinc/59/05/54/618590554.db2.gz KDIWVULDHSROJE-GFCCVEGCSA-N 2 1 304.356 3.058 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Cl)c1 ZINC000925778521 618616789 /nfs/dbraw/zinc/61/67/89/618616789.db2.gz JSSMXTFSAKRLFG-MWLCHTKSSA-N 2 1 306.759 3.375 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925845989 618644874 /nfs/dbraw/zinc/64/48/74/618644874.db2.gz QTNNMZAPOYTOCV-GOSISDBHSA-N 2 1 303.494 3.030 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c(C)c1 ZINC000925848755 618646148 /nfs/dbraw/zinc/64/61/48/618646148.db2.gz KBTUCAZWCBBBQK-SFHVURJKSA-N 2 1 303.494 3.030 20 0 DGADMP FC(F)COc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000894043382 618698494 /nfs/dbraw/zinc/69/84/94/618698494.db2.gz SKXODKZGDIFVAX-OAHLLOKOSA-N 2 1 324.415 3.248 20 0 DGADMP FC(F)COc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000894043382 618698495 /nfs/dbraw/zinc/69/84/95/618698495.db2.gz SKXODKZGDIFVAX-OAHLLOKOSA-N 2 1 324.415 3.248 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894167835 618722911 /nfs/dbraw/zinc/72/29/11/618722911.db2.gz TXQSIAZZYOUHSQ-UHFFFAOYSA-N 2 1 301.478 3.255 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)cc12 ZINC000894181144 618725104 /nfs/dbraw/zinc/72/51/04/618725104.db2.gz VZHBVFSUBXDPML-CQSZACIVSA-N 2 1 316.449 3.275 20 0 DGADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000894180554 618725112 /nfs/dbraw/zinc/72/51/12/618725112.db2.gz PBMQOFBMSPLSQC-CQSZACIVSA-N 2 1 324.490 3.279 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cnc[nH]1)C1CCCCC1 ZINC000894198968 618727167 /nfs/dbraw/zinc/72/71/67/618727167.db2.gz IHPKZGSCVCQHIU-UHFFFAOYSA-N 2 1 312.461 3.464 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000924955054 618748782 /nfs/dbraw/zinc/74/87/82/618748782.db2.gz ZZSWCLFQEUEFRX-MLGOLLRUSA-N 2 1 319.836 3.342 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958197 618749566 /nfs/dbraw/zinc/74/95/66/618749566.db2.gz CTRLFAQEWOOJFQ-JKSUJKDBSA-N 2 1 305.466 3.251 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958197 618749568 /nfs/dbraw/zinc/74/95/68/618749568.db2.gz CTRLFAQEWOOJFQ-JKSUJKDBSA-N 2 1 305.466 3.251 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961613 618750538 /nfs/dbraw/zinc/75/05/38/618750538.db2.gz WRXPOXYHDVGRGI-HZPDHXFCSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961613 618750539 /nfs/dbraw/zinc/75/05/39/618750539.db2.gz WRXPOXYHDVGRGI-HZPDHXFCSA-N 2 1 304.482 3.379 20 0 DGADMP CSCc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000895473204 618789208 /nfs/dbraw/zinc/78/92/08/618789208.db2.gz NELNQYGZWMZMMC-SFHVURJKSA-N 2 1 322.518 3.092 20 0 DGADMP CSCc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000895473204 618789210 /nfs/dbraw/zinc/78/92/10/618789210.db2.gz NELNQYGZWMZMMC-SFHVURJKSA-N 2 1 322.518 3.092 20 0 DGADMP Fc1ccc(CC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000895479709 618790316 /nfs/dbraw/zinc/79/03/16/618790316.db2.gz TUEPALSCBNWBQQ-MRXNPFEDSA-N 2 1 308.416 3.219 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508130 618792591 /nfs/dbraw/zinc/79/25/91/618792591.db2.gz FSCWOROEMINBHL-MAUKXSAKSA-N 2 1 304.482 3.160 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508130 618792592 /nfs/dbraw/zinc/79/25/92/618792592.db2.gz FSCWOROEMINBHL-MAUKXSAKSA-N 2 1 304.482 3.160 20 0 DGADMP CSc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000895557452 618798523 /nfs/dbraw/zinc/79/85/23/618798523.db2.gz QSCQPOHFOAADNX-ZDUSSCGKSA-N 2 1 303.431 3.107 20 0 DGADMP CSc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000895557452 618798524 /nfs/dbraw/zinc/79/85/24/618798524.db2.gz QSCQPOHFOAADNX-ZDUSSCGKSA-N 2 1 303.431 3.107 20 0 DGADMP CC(C)C[N@H+](Cc1nccn1C1CC1)CC1CC[NH+](C)CC1 ZINC000895860869 618840836 /nfs/dbraw/zinc/84/08/36/618840836.db2.gz JXIMALCKLKVMET-UHFFFAOYSA-N 2 1 304.482 3.018 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CO[C@H]1C ZINC000925132636 618898816 /nfs/dbraw/zinc/89/88/16/618898816.db2.gz ARTSICUNPAEFCV-BWJWTDLKSA-N 2 1 308.491 3.144 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CO[C@H]1C ZINC000925132636 618898818 /nfs/dbraw/zinc/89/88/18/618898818.db2.gz ARTSICUNPAEFCV-BWJWTDLKSA-N 2 1 308.491 3.144 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925133106 618904506 /nfs/dbraw/zinc/90/45/06/618904506.db2.gz BMZHRVVLJVDCQK-DZXRDFMUSA-N 2 1 322.518 3.392 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925133106 618904507 /nfs/dbraw/zinc/90/45/07/618904507.db2.gz BMZHRVVLJVDCQK-DZXRDFMUSA-N 2 1 322.518 3.392 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925133102 618905044 /nfs/dbraw/zinc/90/50/44/618905044.db2.gz BMZHRVVLJVDCQK-DTYCBIMDSA-N 2 1 322.518 3.392 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925133102 618905046 /nfs/dbraw/zinc/90/50/46/618905046.db2.gz BMZHRVVLJVDCQK-DTYCBIMDSA-N 2 1 322.518 3.392 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000909597736 619053498 /nfs/dbraw/zinc/05/34/98/619053498.db2.gz AWHXAZDWNMCCFT-UHFFFAOYSA-N 2 1 314.433 3.015 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000897429164 619117875 /nfs/dbraw/zinc/11/78/75/619117875.db2.gz BNHOZBDJEQZMGC-UHFFFAOYSA-N 2 1 318.509 3.283 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000897882393 619191104 /nfs/dbraw/zinc/19/11/04/619191104.db2.gz NQVRTNIGCWUJCV-TUUVXOQKSA-N 2 1 306.400 3.427 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000924629170 619248688 /nfs/dbraw/zinc/24/86/88/619248688.db2.gz OTQHHKXQFBSADK-HNNXBMFYSA-N 2 1 304.482 3.379 20 0 DGADMP CCO[C@@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)C[NH+](C)C ZINC000926961580 619253001 /nfs/dbraw/zinc/25/30/01/619253001.db2.gz PMEFFFVZEDVONU-PREGVCBESA-N 2 1 310.869 3.142 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924683770 619257053 /nfs/dbraw/zinc/25/70/53/619257053.db2.gz BKJJASGKBCWKKU-LPHOPBHVSA-N 2 1 308.510 3.436 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000927120355 619268684 /nfs/dbraw/zinc/26/86/84/619268684.db2.gz OLKRKIAGPRVJHF-ZYSHUDEJSA-N 2 1 302.462 3.010 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCSC4)C[C@@H]3C2)cc1 ZINC000898522989 619283944 /nfs/dbraw/zinc/28/39/44/619283944.db2.gz WRXNCBMLVUTVCK-RDGPPVDQSA-N 2 1 316.514 3.382 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522509 619284123 /nfs/dbraw/zinc/28/41/23/619284123.db2.gz PONYRVWXPVAYBC-HSALFYBXSA-N 2 1 323.484 3.415 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898521401 619284141 /nfs/dbraw/zinc/28/41/41/619284141.db2.gz CFNAHRZLECBLRN-AXDKOMKPSA-N 2 1 314.473 3.054 20 0 DGADMP [NH3+][C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)C1CCCCCC1 ZINC000900016145 619390273 /nfs/dbraw/zinc/39/02/73/619390273.db2.gz KHSDLULLUQBZJH-JALIKCBVSA-N 2 1 304.438 3.038 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902340636 619618727 /nfs/dbraw/zinc/61/87/27/619618727.db2.gz YVRPLPPRBMTDEM-IBGZPJMESA-N 2 1 317.521 3.395 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902340636 619618728 /nfs/dbraw/zinc/61/87/28/619618728.db2.gz YVRPLPPRBMTDEM-IBGZPJMESA-N 2 1 317.521 3.395 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902340636 619618732 /nfs/dbraw/zinc/61/87/32/619618732.db2.gz YVRPLPPRBMTDEM-IBGZPJMESA-N 2 1 317.521 3.395 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000902336085 619622802 /nfs/dbraw/zinc/62/28/02/619622802.db2.gz YAKMVBJWERUHJT-IBGZPJMESA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473138 619637960 /nfs/dbraw/zinc/63/79/60/619637960.db2.gz SBXJUPZFOJVVAL-RUAUBTSSSA-N 2 1 310.388 3.092 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902754536 619670864 /nfs/dbraw/zinc/67/08/64/619670864.db2.gz FHEJWOWVNYYFTF-MSOLQXFVSA-N 2 1 305.466 3.157 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902761559 619672085 /nfs/dbraw/zinc/67/20/85/619672085.db2.gz SKFZAFLUYJMOSX-NEWSRXKRSA-N 2 1 308.510 3.293 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000903075116 619711341 /nfs/dbraw/zinc/71/13/41/619711341.db2.gz ZBLWBWXHJAINNW-RBUKOAKNSA-N 2 1 302.462 3.117 20 0 DGADMP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903074901 619711354 /nfs/dbraw/zinc/71/13/54/619711354.db2.gz XUMDSXLKIFWEMB-ZNXRZULTSA-N 2 1 315.461 3.116 20 0 DGADMP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903074901 619711357 /nfs/dbraw/zinc/71/13/57/619711357.db2.gz XUMDSXLKIFWEMB-ZNXRZULTSA-N 2 1 315.461 3.116 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074924 619711374 /nfs/dbraw/zinc/71/13/74/619711374.db2.gz PTXRPWUXYIFWBE-XEHBXRSQSA-N 2 1 306.494 3.329 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000903087452 619713730 /nfs/dbraw/zinc/71/37/30/619713730.db2.gz UUESEZTYZVLRBM-DJIMGWMZSA-N 2 1 308.491 3.117 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000903087452 619713733 /nfs/dbraw/zinc/71/37/33/619713733.db2.gz UUESEZTYZVLRBM-DJIMGWMZSA-N 2 1 308.491 3.117 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCOC3(CCCC3)C1)C2 ZINC000903126094 619722458 /nfs/dbraw/zinc/72/24/58/619722458.db2.gz QNGUALZUFUIXIO-UNPWZGGWSA-N 2 1 304.478 3.226 20 0 DGADMP c1cc2c(cccc2CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[nH]1 ZINC000903165235 619728529 /nfs/dbraw/zinc/72/85/29/619728529.db2.gz KYCIBDAMSHYYEO-ZNXRZULTSA-N 2 1 309.457 3.458 20 0 DGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000903185352 619732442 /nfs/dbraw/zinc/73/24/42/619732442.db2.gz IONAHDNYHWZICJ-NVXWUHKLSA-N 2 1 318.461 3.132 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCC2(CCC2)O1 ZINC000903227902 619744062 /nfs/dbraw/zinc/74/40/62/619744062.db2.gz ROZQIBKTQOBCHB-ONQFOCNCSA-N 2 1 304.478 3.226 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000903264270 619747400 /nfs/dbraw/zinc/74/74/00/619747400.db2.gz HAFMUEFZLCWIND-NMLACTOBSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000903264270 619747401 /nfs/dbraw/zinc/74/74/01/619747401.db2.gz HAFMUEFZLCWIND-NMLACTOBSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000903299770 619753282 /nfs/dbraw/zinc/75/32/82/619753282.db2.gz DOTQDRQCYCTZGK-SGZDXZSOSA-N 2 1 315.505 3.112 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000903329729 619762072 /nfs/dbraw/zinc/76/20/72/619762072.db2.gz FUHMODUULDFHQM-HNNXBMFYSA-N 2 1 322.468 3.236 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C2CC2)cc1 ZINC000903426335 619774636 /nfs/dbraw/zinc/77/46/36/619774636.db2.gz HNWOCXLWDGMXGW-RKVPGOIHSA-N 2 1 302.462 3.151 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1F ZINC000903460878 619777008 /nfs/dbraw/zinc/77/70/08/619777008.db2.gz KOIIUWLXTFVXGL-XKQJLSEDSA-N 2 1 324.415 3.134 20 0 DGADMP Fc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903444851 619777693 /nfs/dbraw/zinc/77/76/93/619777693.db2.gz DMIQPUMDQOMXHS-ZNXRZULTSA-N 2 1 318.436 3.342 20 0 DGADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903482753 619781140 /nfs/dbraw/zinc/78/11/40/619781140.db2.gz RTZHOJBTXXYOOB-HLLBOEOZSA-N 2 1 302.466 3.157 20 0 DGADMP FC1(F)C[C@@]2(CC[N@@H+](CCCC3CC[NH2+]CC3)C2)C1(F)F ZINC000903490662 619782464 /nfs/dbraw/zinc/78/24/64/619782464.db2.gz CCQVSPINMIGIPZ-CYBMUJFWSA-N 2 1 308.363 3.133 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496746 619782467 /nfs/dbraw/zinc/78/24/67/619782467.db2.gz BIHVOSIJYOWLQB-DGCLKSJQSA-N 2 1 300.418 3.418 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2COC(C)(C)C)cc1 ZINC000903565579 619783459 /nfs/dbraw/zinc/78/34/59/619783459.db2.gz MSCDNHZGFNBFMG-IRXDYDNUSA-N 2 1 320.477 3.017 20 0 DGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718914 619802955 /nfs/dbraw/zinc/80/29/55/619802955.db2.gz TUPJNLHYJVFJBC-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718915 619802960 /nfs/dbraw/zinc/80/29/60/619802960.db2.gz TUPJNLHYJVFJBC-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCc2ccccc21 ZINC000903719146 619803104 /nfs/dbraw/zinc/80/31/04/619803104.db2.gz WDCAABVMJUTKLK-IEBWSBKVSA-N 2 1 314.473 3.155 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]2CCCC[C@H]12 ZINC000903722179 619803642 /nfs/dbraw/zinc/80/36/42/619803642.db2.gz IIYSEUZNMRTZOU-XDNAFOTISA-N 2 1 306.494 3.046 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722667 619803701 /nfs/dbraw/zinc/80/37/01/619803701.db2.gz CUPGQGZQISUKMF-OTWHNJEPSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723896 619804349 /nfs/dbraw/zinc/80/43/49/619804349.db2.gz JGUKPYOPNPRIIY-LSDHHAIUSA-N 2 1 322.880 3.492 20 0 DGADMP CCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000903724714 619804668 /nfs/dbraw/zinc/80/46/68/619804668.db2.gz QVFRAJCTDOCPOP-IHPCNDPISA-N 2 1 314.473 3.155 20 0 DGADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724984 619805188 /nfs/dbraw/zinc/80/51/88/619805188.db2.gz UDAJMPFWXMSRNT-AZUAARDMSA-N 2 1 310.441 3.040 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730233 619805404 /nfs/dbraw/zinc/80/54/04/619805404.db2.gz UVKPVUVMPUNJPR-NEWSRXKRSA-N 2 1 314.473 3.023 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903727576 619805733 /nfs/dbraw/zinc/80/57/33/619805733.db2.gz VHNQBDPSVXUEKW-VAMGGRTRSA-N 2 1 314.473 3.025 20 0 DGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732550 619805960 /nfs/dbraw/zinc/80/59/60/619805960.db2.gz FTPVBESYOAZLIT-NZSAHSFTSA-N 2 1 314.473 3.023 20 0 DGADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903734691 619807639 /nfs/dbraw/zinc/80/76/39/619807639.db2.gz VBTSDFCMNPJYKC-QYZOEREBSA-N 2 1 318.436 3.121 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903778035 619812451 /nfs/dbraw/zinc/81/24/51/619812451.db2.gz IYGHMJOLRJQAPW-NFAWXSAZSA-N 2 1 322.415 3.183 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777466 619812475 /nfs/dbraw/zinc/81/24/75/619812475.db2.gz BJZXTTCBXKHMOQ-XKQJLSEDSA-N 2 1 308.853 3.101 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCc2ccc3c(c2)CCO3)CCC1 ZINC000903814666 619814352 /nfs/dbraw/zinc/81/43/52/619814352.db2.gz OKPMOJNWWNWZER-IBGZPJMESA-N 2 1 314.473 3.148 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)CCC1 ZINC000903814501 619814434 /nfs/dbraw/zinc/81/44/34/619814434.db2.gz MLERGGKNWFJUIA-IBGZPJMESA-N 2 1 324.472 3.356 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccn(-c3ccccc3)n2)CCC1 ZINC000903814501 619814436 /nfs/dbraw/zinc/81/44/36/619814436.db2.gz MLERGGKNWFJUIA-IBGZPJMESA-N 2 1 324.472 3.356 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCc2ccc3c(c2)CCO3)CCC1 ZINC000903814669 619814467 /nfs/dbraw/zinc/81/44/67/619814467.db2.gz OKPMOJNWWNWZER-LJQANCHMSA-N 2 1 314.473 3.148 20 0 DGADMP NCC1([C@@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)CCC1 ZINC000903813442 619818310 /nfs/dbraw/zinc/81/83/10/619818310.db2.gz GJGOUENLLGWJFO-IBGZPJMESA-N 3 1 324.472 3.356 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000903838243 619821773 /nfs/dbraw/zinc/82/17/73/619821773.db2.gz AIHYXWQROVAFEO-YCVVXREPSA-N 2 1 300.446 3.108 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000903843637 619822578 /nfs/dbraw/zinc/82/25/78/619822578.db2.gz OVCWYZIJTQVPQR-PJODQICGSA-N 2 1 317.433 3.261 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000903843637 619822580 /nfs/dbraw/zinc/82/25/80/619822580.db2.gz OVCWYZIJTQVPQR-PJODQICGSA-N 2 1 317.433 3.261 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000903843697 619822716 /nfs/dbraw/zinc/82/27/16/619822716.db2.gz QGDIURVMASWBSG-XZJROXQQSA-N 2 1 301.821 3.200 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903888621 619826166 /nfs/dbraw/zinc/82/61/66/619826166.db2.gz HLVSRHYKLSCPSL-QDZFIJTISA-N 2 1 300.446 3.015 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892785 619829535 /nfs/dbraw/zinc/82/95/35/619829535.db2.gz WOSZFJKYLOEUNZ-UNPWZGGWSA-N 2 1 302.462 3.089 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903895047 619829843 /nfs/dbraw/zinc/82/98/43/619829843.db2.gz KCRDMSBBFYVLMQ-IVZBYUQCSA-N 2 1 313.489 3.420 20 0 DGADMP CCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000903895912 619830026 /nfs/dbraw/zinc/83/00/26/619830026.db2.gz RSQVABVTNPXKRT-MZUHEJBXSA-N 2 1 306.494 3.043 20 0 DGADMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913947 619833649 /nfs/dbraw/zinc/83/36/49/619833649.db2.gz GEYJEOIOVSXHIV-MLGOLLRUSA-N 2 1 312.379 3.495 20 0 DGADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903932597 619836634 /nfs/dbraw/zinc/83/66/34/619836634.db2.gz SLPZNXSUSLHCMO-JVPQYHMTSA-N 2 1 302.437 3.320 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1cccc(OC(F)(F)F)c1 ZINC000903937644 619838080 /nfs/dbraw/zinc/83/80/80/619838080.db2.gz ORVXHQNAWNAAND-SCZZXKLOSA-N 2 1 312.282 3.218 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)CC[NH2+]C1 ZINC000903939083 619838146 /nfs/dbraw/zinc/83/81/46/619838146.db2.gz CPEWTYAKMPRPKB-YLJYHZDGSA-N 2 1 324.472 3.256 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959790 619839640 /nfs/dbraw/zinc/83/96/40/619839640.db2.gz OJOUAWPZUIEUED-LJQANCHMSA-N 2 1 310.445 3.042 20 0 DGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903959739 619839848 /nfs/dbraw/zinc/83/98/48/619839848.db2.gz NFEAUWAGVOCAEK-KRWDZBQOSA-N 2 1 307.507 3.307 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903959739 619839851 /nfs/dbraw/zinc/83/98/51/619839851.db2.gz NFEAUWAGVOCAEK-KRWDZBQOSA-N 2 1 307.507 3.307 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959882 619839879 /nfs/dbraw/zinc/83/98/79/619839879.db2.gz QTDNXYUFSAPJRS-FQEVSTJZSA-N 2 1 324.472 3.146 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959882 619839880 /nfs/dbraw/zinc/83/98/80/619839880.db2.gz QTDNXYUFSAPJRS-FQEVSTJZSA-N 2 1 324.472 3.146 20 0 DGADMP FC(F)(F)c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903954899 619846232 /nfs/dbraw/zinc/84/62/32/619846232.db2.gz IHTBQMDGNGQYGT-LBPRGKRZSA-N 2 1 308.294 3.040 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972390 619847475 /nfs/dbraw/zinc/84/74/75/619847475.db2.gz HOSTXXFDPLKZBT-RBUKOAKNSA-N 2 1 316.489 3.146 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1CC[NH3+] ZINC000903976848 619848294 /nfs/dbraw/zinc/84/82/94/619848294.db2.gz DKJJKBBQBWRGHX-TZMCWYRMSA-N 2 1 318.852 3.147 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000904325277 619913450 /nfs/dbraw/zinc/91/34/50/619913450.db2.gz UZWFPLJQHDTREE-JGZJWPJOSA-N 2 1 315.280 3.212 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CCC[NH2+]C1 ZINC000904327725 619913714 /nfs/dbraw/zinc/91/37/14/619913714.db2.gz HZFVTZGGMFDNIA-QYZOEREBSA-N 2 1 320.452 3.103 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CCC[NH2+]C1 ZINC000904327722 619913839 /nfs/dbraw/zinc/91/38/39/619913839.db2.gz HZFVTZGGMFDNIA-FHWLQOOXSA-N 2 1 320.452 3.103 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342282 619914500 /nfs/dbraw/zinc/91/45/00/619914500.db2.gz BSRSAPUFADKFNR-IRXDYDNUSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342282 619914504 /nfs/dbraw/zinc/91/45/04/619914504.db2.gz BSRSAPUFADKFNR-IRXDYDNUSA-N 2 1 310.869 3.349 20 0 DGADMP Fc1ccc(Oc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)cc1 ZINC000904350056 619915617 /nfs/dbraw/zinc/91/56/17/619915617.db2.gz GPPDQZIWAJTNOY-UHFFFAOYSA-N 2 1 300.377 3.460 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904378430 619918105 /nfs/dbraw/zinc/91/81/05/619918105.db2.gz CNHFDYVWQXBHQV-RTBURBONSA-N 2 1 302.462 3.048 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1C(F)F ZINC000904386402 619919212 /nfs/dbraw/zinc/91/92/12/619919212.db2.gz YTXMTLBQMZFFPR-JTQLQIEISA-N 2 1 308.294 3.098 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000904405579 619920067 /nfs/dbraw/zinc/92/00/67/619920067.db2.gz OKFWNKURAZRONO-OLZOCXBDSA-N 2 1 300.368 3.480 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1C[NH3+] ZINC000904411447 619920373 /nfs/dbraw/zinc/92/03/73/619920373.db2.gz NGNIVOUNZAGAQB-HUUCEWRRSA-N 2 1 321.896 3.357 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904410318 619920547 /nfs/dbraw/zinc/92/05/47/619920547.db2.gz OGPWZTJLYFGWFK-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000904410815 619920627 /nfs/dbraw/zinc/92/06/27/619920627.db2.gz ISMBCWGYEOBGGI-MNOVXSKESA-N 2 1 304.331 3.261 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000904412086 619920927 /nfs/dbraw/zinc/92/09/27/619920927.db2.gz PSUGASVBTIMIPG-HLLBOEOZSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000904420363 619922121 /nfs/dbraw/zinc/92/21/21/619922121.db2.gz LXZCFTZXDBGEEO-AEGPPILISA-N 2 1 312.379 3.350 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000904420107 619922467 /nfs/dbraw/zinc/92/24/67/619922467.db2.gz BIRAPWKKFUYZCK-AEGPPILISA-N 2 1 323.278 3.094 20 0 DGADMP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000904420107 619922468 /nfs/dbraw/zinc/92/24/68/619922468.db2.gz BIRAPWKKFUYZCK-AEGPPILISA-N 2 1 323.278 3.094 20 0 DGADMP Cc1cccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000905047594 619966081 /nfs/dbraw/zinc/96/60/81/619966081.db2.gz UEYISFAUXIJUNM-HKUYNNGSSA-N 2 1 304.478 3.273 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(C)c2)c1 ZINC000905063081 619969851 /nfs/dbraw/zinc/96/98/51/619969851.db2.gz RWEJYQBWAKZIHG-HXUWFJFHSA-N 2 1 312.457 3.270 20 0 DGADMP c1cc(-c2cncc([C@H]3CCC[NH2+]3)c2)ccc1C[NH+]1CCOCC1 ZINC000906171126 620064956 /nfs/dbraw/zinc/06/49/56/620064956.db2.gz OTJUQGAOPVOGJL-HXUWFJFHSA-N 2 1 323.440 3.005 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc3c(c2)CCO3)C1 ZINC000151107910 620423535 /nfs/dbraw/zinc/42/35/35/620423535.db2.gz GRDSXEPPGTYXFS-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP C([NH2+]C1CC2(C1)CCCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000925386490 620462722 /nfs/dbraw/zinc/46/27/22/620462722.db2.gz DJOXDSIGBPBZHY-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921541627 620905063 /nfs/dbraw/zinc/90/50/63/620905063.db2.gz IXLPLARZVJMBJY-WJFTUGDTSA-N 2 1 308.510 3.292 20 0 DGADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(Oc3ccccn3)c1)C2 ZINC000921630210 620918030 /nfs/dbraw/zinc/91/80/30/620918030.db2.gz GJPJFZXWEGBTLN-INIZCTEOSA-N 2 1 320.396 3.175 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000921686253 620933618 /nfs/dbraw/zinc/93/36/18/620933618.db2.gz HRPHQHCXQUYCTO-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1 ZINC000921687043 620933906 /nfs/dbraw/zinc/93/39/06/620933906.db2.gz VWUKUBAUKLGPTL-VAMGGRTRSA-N 2 1 316.489 3.433 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c1 ZINC000921687042 620933913 /nfs/dbraw/zinc/93/39/13/620933913.db2.gz VWUKUBAUKLGPTL-SLFFLAALSA-N 2 1 316.489 3.433 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921775743 620948363 /nfs/dbraw/zinc/94/83/63/620948363.db2.gz YPZNCFIYABQNOC-UHFFFAOYSA-N 2 1 307.829 3.015 20 0 DGADMP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000921811137 620953123 /nfs/dbraw/zinc/95/31/23/620953123.db2.gz ZDYHZTRMFWYPLS-DLBZAZTESA-N 2 1 314.539 3.140 20 0 DGADMP CC(C)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558525 621004713 /nfs/dbraw/zinc/00/47/13/621004713.db2.gz ISLBFKKLMRJAPE-GOSISDBHSA-N 2 1 305.466 3.031 20 0 DGADMP CC(C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558525 621004716 /nfs/dbraw/zinc/00/47/16/621004716.db2.gz ISLBFKKLMRJAPE-GOSISDBHSA-N 2 1 305.466 3.031 20 0 DGADMP CC(C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558525 621004717 /nfs/dbraw/zinc/00/47/17/621004717.db2.gz ISLBFKKLMRJAPE-GOSISDBHSA-N 2 1 305.466 3.031 20 0 DGADMP CC(C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558526 621005069 /nfs/dbraw/zinc/00/50/69/621005069.db2.gz ISLBFKKLMRJAPE-SFHVURJKSA-N 2 1 305.466 3.031 20 0 DGADMP CC(C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558526 621005070 /nfs/dbraw/zinc/00/50/70/621005070.db2.gz ISLBFKKLMRJAPE-SFHVURJKSA-N 2 1 305.466 3.031 20 0 DGADMP CC(C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558526 621005074 /nfs/dbraw/zinc/00/50/74/621005074.db2.gz ISLBFKKLMRJAPE-SFHVURJKSA-N 2 1 305.466 3.031 20 0 DGADMP CC[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605757 621007305 /nfs/dbraw/zinc/00/73/05/621007305.db2.gz YODDCHSOABVFJV-QAPCUYQASA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605757 621007307 /nfs/dbraw/zinc/00/73/07/621007307.db2.gz YODDCHSOABVFJV-QAPCUYQASA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856605757 621007308 /nfs/dbraw/zinc/00/73/08/621007308.db2.gz YODDCHSOABVFJV-QAPCUYQASA-N 2 1 305.466 3.173 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccsc3C)C2)[C@@H]1C(C)C ZINC000922392636 621032944 /nfs/dbraw/zinc/03/29/44/621032944.db2.gz FAVGIOOSEQOHNH-ZJPYXAASSA-N 2 1 322.518 3.016 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922504578 621047921 /nfs/dbraw/zinc/04/79/21/621047921.db2.gz ORSQVPRXNWPGKY-UHFFFAOYSA-N 3 1 316.493 3.034 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000922771411 621097467 /nfs/dbraw/zinc/09/74/67/621097467.db2.gz NWVLAMXHJPYJOK-OAHLLOKOSA-N 2 1 301.434 3.141 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000922821151 621105209 /nfs/dbraw/zinc/10/52/09/621105209.db2.gz KVTNBQCMCTUNDQ-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000922821151 621105212 /nfs/dbraw/zinc/10/52/12/621105212.db2.gz KVTNBQCMCTUNDQ-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000922821149 621105277 /nfs/dbraw/zinc/10/52/77/621105277.db2.gz KVTNBQCMCTUNDQ-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000922821149 621105279 /nfs/dbraw/zinc/10/52/79/621105279.db2.gz KVTNBQCMCTUNDQ-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857905081 621130172 /nfs/dbraw/zinc/13/01/72/621130172.db2.gz XNHOUXVBCYTNPH-FZMZJTMJSA-N 2 1 304.825 3.153 20 0 DGADMP C[C@H](CCNCc1ccnc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000858148167 621158287 /nfs/dbraw/zinc/15/82/87/621158287.db2.gz OHUTZNDVHYDSLR-OAHLLOKOSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccnc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000858148167 621158289 /nfs/dbraw/zinc/15/82/89/621158289.db2.gz OHUTZNDVHYDSLR-OAHLLOKOSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccnc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000858148167 621158292 /nfs/dbraw/zinc/15/82/92/621158292.db2.gz OHUTZNDVHYDSLR-OAHLLOKOSA-N 2 1 301.409 3.221 20 0 DGADMP COc1cccc2cc(CNC[C@@H]3CCCC[N@@H+](C)C3)oc21 ZINC000858244896 621167521 /nfs/dbraw/zinc/16/75/21/621167521.db2.gz JZNLEKYALXUIGV-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)oc21 ZINC000858244896 621167522 /nfs/dbraw/zinc/16/75/22/621167522.db2.gz JZNLEKYALXUIGV-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)oc21 ZINC000858244896 621167524 /nfs/dbraw/zinc/16/75/24/621167524.db2.gz JZNLEKYALXUIGV-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)c1ccc(C)cc1 ZINC000923313804 621174445 /nfs/dbraw/zinc/17/44/45/621174445.db2.gz KEABXFMRCRDOEL-QZNYNHHHSA-N 2 1 316.489 3.271 20 0 DGADMP CCn1cc(C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cn1 ZINC000923385850 621180732 /nfs/dbraw/zinc/18/07/32/621180732.db2.gz FCOVGBLTGFVIGA-ZNXRZULTSA-N 2 1 304.482 3.034 20 0 DGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)co1 ZINC000923390833 621180774 /nfs/dbraw/zinc/18/07/74/621180774.db2.gz WDQQODTZXKCNKO-OAHLLOKOSA-N 2 1 305.466 3.184 20 0 DGADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923391652 621180792 /nfs/dbraw/zinc/18/07/92/621180792.db2.gz ZIYOEKZKVVYQLW-AMQUQFIOSA-N 2 1 306.494 3.188 20 0 DGADMP CCc1csc(CC2CC[NH+](CCC[NH2+]C3CC3)CC2)n1 ZINC000923387492 621180970 /nfs/dbraw/zinc/18/09/70/621180970.db2.gz KQTRCABKYGILKD-UHFFFAOYSA-N 2 1 307.507 3.102 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482081 621187311 /nfs/dbraw/zinc/18/73/11/621187311.db2.gz NVQGGEXXJBCRQR-RYUDHWBXSA-N 2 1 302.340 3.317 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000923480120 621187405 /nfs/dbraw/zinc/18/74/05/621187405.db2.gz FQJLGUBNCDYYMT-QGZVFWFLSA-N 2 1 310.441 3.436 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000923480119 621187411 /nfs/dbraw/zinc/18/74/11/621187411.db2.gz FQJLGUBNCDYYMT-KRWDZBQOSA-N 2 1 310.441 3.436 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000923486250 621187415 /nfs/dbraw/zinc/18/74/15/621187415.db2.gz DRSJFJTXTVZKOV-QGZVFWFLSA-N 2 1 323.440 3.110 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000923484180 621187689 /nfs/dbraw/zinc/18/76/89/621187689.db2.gz XJVAUOBEFCHQDK-ZDUSSCGKSA-N 2 1 319.836 3.474 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000923480572 621187728 /nfs/dbraw/zinc/18/77/28/621187728.db2.gz AISKGHNYXXPYCI-CQSZACIVSA-N 2 1 300.368 3.309 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492230 621188363 /nfs/dbraw/zinc/18/83/63/621188363.db2.gz APRYOURXIFKYSH-DYEKYZERSA-N 2 1 311.267 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1C[NH3+] ZINC000923502656 621188598 /nfs/dbraw/zinc/18/85/98/621188598.db2.gz YAIQYHIPIZPHCX-CVEARBPZSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1C[NH3+] ZINC000923497454 621188658 /nfs/dbraw/zinc/18/86/58/621188658.db2.gz LVEIOCMHABYVNO-NEPJUHHUSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923498751 621188906 /nfs/dbraw/zinc/18/89/06/621188906.db2.gz JPIZXJPDVBJABU-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C(c1nc2c(o1)CCCC2)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506185 621189845 /nfs/dbraw/zinc/18/98/45/621189845.db2.gz IRUBIHQGNPLBNO-OAHLLOKOSA-N 2 1 317.477 3.155 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530336 621191838 /nfs/dbraw/zinc/19/18/38/621191838.db2.gz IAOKTEOIEZPOLH-IEBWSBKVSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530336 621191839 /nfs/dbraw/zinc/19/18/39/621191839.db2.gz IAOKTEOIEZPOLH-IEBWSBKVSA-N 2 1 302.462 3.057 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000858491068 621197552 /nfs/dbraw/zinc/19/75/52/621197552.db2.gz XADJGSBWTNOYFV-PXNSSMCTSA-N 2 1 316.489 3.476 20 0 DGADMP OC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCC1 ZINC000789357330 625473097 /nfs/dbraw/zinc/47/30/97/625473097.db2.gz LUPKXLOVCVLTAQ-UHFFFAOYSA-N 2 1 317.477 3.094 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccnc(Cl)c2)cc1 ZINC000859213948 621261034 /nfs/dbraw/zinc/26/10/34/621261034.db2.gz BYVCWCUAKHXLSV-UHFFFAOYSA-N 2 1 303.837 3.429 20 0 DGADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839179919 621343310 /nfs/dbraw/zinc/34/33/10/621343310.db2.gz AWTIPZIUADGVKQ-CYBMUJFWSA-N 2 1 312.889 3.018 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCOCC2)cc1 ZINC000754792423 621533177 /nfs/dbraw/zinc/53/31/77/621533177.db2.gz BLMYWIYLBNTRJN-AABGKKOBSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1cc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OCC[NH+](C)C ZINC000862392693 621583466 /nfs/dbraw/zinc/58/34/66/621583466.db2.gz PAWKQFDTAOEXJA-KRWDZBQOSA-N 2 1 319.493 3.220 20 0 DGADMP C[N@@H+](Cc1cccc(-c2cnn(CC3CC[NH2+]CC3)c2)c1)C1CC1 ZINC000863692266 621701792 /nfs/dbraw/zinc/70/17/92/621701792.db2.gz CNCYKLBAYYVROK-UHFFFAOYSA-N 2 1 324.472 3.144 20 0 DGADMP Fc1cccc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cnc12 ZINC000865434340 621920363 /nfs/dbraw/zinc/92/03/63/621920363.db2.gz GSHKQYJVHHXSMO-UHFFFAOYSA-N 2 1 313.420 3.480 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000865449103 621923985 /nfs/dbraw/zinc/92/39/85/621923985.db2.gz PSSYYULOTHHURD-ZDUSSCGKSA-N 2 1 305.397 3.155 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865641374 621969596 /nfs/dbraw/zinc/96/95/96/621969596.db2.gz WQFDBDIRQDPYPC-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865641374 621969598 /nfs/dbraw/zinc/96/95/98/621969598.db2.gz WQFDBDIRQDPYPC-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000865660759 621973277 /nfs/dbraw/zinc/97/32/77/621973277.db2.gz BFSYUCGEWYORKE-YJBOKZPZSA-N 2 1 313.420 3.078 20 0 DGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865782524 621994610 /nfs/dbraw/zinc/99/46/10/621994610.db2.gz XINFLKBCABMDEX-BYNSBNAKSA-N 2 1 302.384 3.348 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccnn1C ZINC000866612307 622146801 /nfs/dbraw/zinc/14/68/01/622146801.db2.gz GPPSDTVDVICXIX-HLLBOEOZSA-N 2 1 304.482 3.114 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866635705 622151480 /nfs/dbraw/zinc/15/14/80/622151480.db2.gz CTCGXWNOADPLLD-RNIPGJKVSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866635705 622151482 /nfs/dbraw/zinc/15/14/82/622151482.db2.gz CTCGXWNOADPLLD-RNIPGJKVSA-N 2 1 304.478 3.036 20 0 DGADMP Clc1cncc(Cl)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866665910 622154301 /nfs/dbraw/zinc/15/43/01/622154301.db2.gz KNHHHPCKAMKMLP-GFCCVEGCSA-N 2 1 314.260 3.210 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccccc1 ZINC000764882526 622229717 /nfs/dbraw/zinc/22/97/17/622229717.db2.gz JWHBJLWIRKBNQI-NVXWUHKLSA-N 2 1 324.472 3.316 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000765245392 622253917 /nfs/dbraw/zinc/25/39/17/622253917.db2.gz PECNEXIADKBMKA-HKUYNNGSSA-N 2 1 315.505 3.292 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2cccc(COc3ccccc3)c2)CC1 ZINC000765253678 622254386 /nfs/dbraw/zinc/25/43/86/622254386.db2.gz IZCAVVIFNJVENI-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000765511127 622269813 /nfs/dbraw/zinc/26/98/13/622269813.db2.gz FDJNDDRWHRJKIP-AWEZNQCLSA-N 2 1 309.417 3.036 20 0 DGADMP COCC[N@H+](C)CCCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000766978673 622365742 /nfs/dbraw/zinc/36/57/42/622365742.db2.gz YWANIIBMOIHKOC-NTCAYCPXSA-N 2 1 323.308 3.376 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000766978673 622365745 /nfs/dbraw/zinc/36/57/45/622365745.db2.gz YWANIIBMOIHKOC-NTCAYCPXSA-N 2 1 323.308 3.376 20 0 DGADMP Cc1cc(C)c(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000869522391 622369077 /nfs/dbraw/zinc/36/90/77/622369077.db2.gz GXYYZOKISBAUQU-SFHVURJKSA-N 2 1 322.424 3.263 20 0 DGADMP Cc1cc(C)c(COC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000869522391 622369081 /nfs/dbraw/zinc/36/90/81/622369081.db2.gz GXYYZOKISBAUQU-SFHVURJKSA-N 2 1 322.424 3.263 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000768211855 622445532 /nfs/dbraw/zinc/44/55/32/622445532.db2.gz GBVYIQWCYLOLNF-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP FC(F)C1CC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000768684610 622471226 /nfs/dbraw/zinc/47/12/26/622471226.db2.gz FQTWQAFMLVCUNQ-KLAILNCOSA-N 2 1 308.416 3.184 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000123389514 622524174 /nfs/dbraw/zinc/52/41/74/622524174.db2.gz NNCUOVJJMCZECZ-OAHLLOKOSA-N 2 1 320.477 3.367 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514340 622536874 /nfs/dbraw/zinc/53/68/74/622536874.db2.gz JNILHSAPEZAOSZ-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514340 622536876 /nfs/dbraw/zinc/53/68/76/622536876.db2.gz JNILHSAPEZAOSZ-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514340 622536877 /nfs/dbraw/zinc/53/68/77/622536877.db2.gz JNILHSAPEZAOSZ-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514340 622536879 /nfs/dbraw/zinc/53/68/79/622536879.db2.gz JNILHSAPEZAOSZ-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769686654 622549445 /nfs/dbraw/zinc/54/94/45/622549445.db2.gz CZAHAHNBVIBVAP-ZAWLATJESA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769971045 622583618 /nfs/dbraw/zinc/58/36/18/622583618.db2.gz XDCCYWGAGYQYLC-AOIWGVFYSA-N 2 1 314.473 3.134 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000769971045 622583622 /nfs/dbraw/zinc/58/36/22/622583622.db2.gz XDCCYWGAGYQYLC-AOIWGVFYSA-N 2 1 314.473 3.134 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872020468 622755596 /nfs/dbraw/zinc/75/55/96/622755596.db2.gz IIHYQANYSNVNOW-PMACEKPBSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872020468 622755603 /nfs/dbraw/zinc/75/56/03/622755603.db2.gz IIHYQANYSNVNOW-PMACEKPBSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCCOC1 ZINC000872035915 622765758 /nfs/dbraw/zinc/76/57/58/622765758.db2.gz ZKXMXYWWYNMZQC-RTBURBONSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000872088330 622798142 /nfs/dbraw/zinc/79/81/42/622798142.db2.gz QBSBMKGMHSXJRV-KSZLIROESA-N 2 1 308.510 3.292 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000872144205 622831846 /nfs/dbraw/zinc/83/18/46/622831846.db2.gz XRKCLQDGSPHTPI-UHFFFAOYSA-N 2 1 305.466 3.011 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1C(F)(F)F ZINC000872152143 622835224 /nfs/dbraw/zinc/83/52/24/622835224.db2.gz ZLVWIWPWPBAWSB-MFKMUULPSA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@H]1C(F)(F)F ZINC000872152143 622835229 /nfs/dbraw/zinc/83/52/29/622835229.db2.gz ZLVWIWPWPBAWSB-MFKMUULPSA-N 2 1 314.376 3.470 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000872151770 622835371 /nfs/dbraw/zinc/83/53/71/622835371.db2.gz MOIIHKJDMHTHNL-HIFRSBDPSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000872151770 622835376 /nfs/dbraw/zinc/83/53/76/622835376.db2.gz MOIIHKJDMHTHNL-HIFRSBDPSA-N 2 1 323.362 3.112 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc2ccccc2c1 ZINC000872155149 622835512 /nfs/dbraw/zinc/83/55/12/622835512.db2.gz MQUDIAAVJNCYHG-UHFFFAOYSA-N 2 1 313.445 3.229 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000872155215 622835731 /nfs/dbraw/zinc/83/57/31/622835731.db2.gz OCVYKDZYHKPZRT-AWEZNQCLSA-N 2 1 318.461 3.013 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1ncc(-c2ccccc2F)o1 ZINC000872155771 622836793 /nfs/dbraw/zinc/83/67/93/622836793.db2.gz WJRLOKLFHITRGU-UHFFFAOYSA-N 2 1 305.397 3.432 20 0 DGADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157370 622838000 /nfs/dbraw/zinc/83/80/00/622838000.db2.gz LYNSGFTWHDYCRM-YJBOKZPZSA-N 2 1 305.466 3.411 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000872157694 622839297 /nfs/dbraw/zinc/83/92/97/622839297.db2.gz PRRGIPAQROCVNT-QUCCMNQESA-N 3 1 321.553 3.482 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157694 622839300 /nfs/dbraw/zinc/83/93/00/622839300.db2.gz PRRGIPAQROCVNT-QUCCMNQESA-N 2 1 321.553 3.482 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157694 622839305 /nfs/dbraw/zinc/83/93/05/622839305.db2.gz PRRGIPAQROCVNT-QUCCMNQESA-N 2 1 321.553 3.482 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158012 622839793 /nfs/dbraw/zinc/83/97/93/622839793.db2.gz RMVHAFAZYWKSQV-PKOBYXMFSA-N 2 1 318.509 3.120 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000872251773 622867097 /nfs/dbraw/zinc/86/70/97/622867097.db2.gz MOYCLIVDEADDKA-OALUTQOASA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872251773 622867101 /nfs/dbraw/zinc/86/71/01/622867101.db2.gz MOYCLIVDEADDKA-OALUTQOASA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221170 623079325 /nfs/dbraw/zinc/07/93/25/623079325.db2.gz OCHFZXAZPBRZKH-HLIPFELVSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221170 623079333 /nfs/dbraw/zinc/07/93/33/623079333.db2.gz OCHFZXAZPBRZKH-HLIPFELVSA-N 3 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000873223613 623080180 /nfs/dbraw/zinc/08/01/80/623080180.db2.gz PBBIZEHELYCGDB-QGZVFWFLSA-N 2 1 318.490 3.335 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000873222996 623080536 /nfs/dbraw/zinc/08/05/36/623080536.db2.gz GCUGFJPQWOPVQZ-LJQANCHMSA-N 2 1 312.461 3.069 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)[nH]n1 ZINC000873226729 623080995 /nfs/dbraw/zinc/08/09/95/623080995.db2.gz AEKWKWFFTFYDEJ-OWCLPIDISA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226729 623081000 /nfs/dbraw/zinc/08/10/00/623081000.db2.gz AEKWKWFFTFYDEJ-OWCLPIDISA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226729 623081008 /nfs/dbraw/zinc/08/10/08/623081008.db2.gz AEKWKWFFTFYDEJ-OWCLPIDISA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)[nH]n1 ZINC000873226730 623082037 /nfs/dbraw/zinc/08/20/37/623082037.db2.gz AEKWKWFFTFYDEJ-PMPSAXMXSA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226730 623082043 /nfs/dbraw/zinc/08/20/43/623082043.db2.gz AEKWKWFFTFYDEJ-PMPSAXMXSA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226730 623082045 /nfs/dbraw/zinc/08/20/45/623082045.db2.gz AEKWKWFFTFYDEJ-PMPSAXMXSA-N 2 1 304.482 3.101 20 0 DGADMP CCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227086 623082107 /nfs/dbraw/zinc/08/21/07/623082107.db2.gz GPCRYIDQLAOYDM-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227086 623082112 /nfs/dbraw/zinc/08/21/12/623082112.db2.gz GPCRYIDQLAOYDM-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP CCn1nc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c2ccccc21 ZINC000873223823 623082123 /nfs/dbraw/zinc/08/21/23/623082123.db2.gz SUZYAHBGVRXUHS-LJQANCHMSA-N 2 1 314.477 3.253 20 0 DGADMP CCn1nc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c2ccccc21 ZINC000873223823 623082127 /nfs/dbraw/zinc/08/21/27/623082127.db2.gz SUZYAHBGVRXUHS-LJQANCHMSA-N 2 1 314.477 3.253 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000873231794 623084856 /nfs/dbraw/zinc/08/48/56/623084856.db2.gz VLPYCIPDYZCKSJ-UHFFFAOYSA-N 2 1 318.440 3.021 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Oc2cnccn2)cc1 ZINC000873231541 623084961 /nfs/dbraw/zinc/08/49/61/623084961.db2.gz MSGSSCSVSMIKLY-UHFFFAOYSA-N 2 1 314.433 3.220 20 0 DGADMP Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000873280918 623102330 /nfs/dbraw/zinc/10/23/30/623102330.db2.gz FELINIUHFCCXBW-NQBHXWOUSA-N 2 1 316.342 3.034 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000774368523 623136992 /nfs/dbraw/zinc/13/69/92/623136992.db2.gz PZFQXMRAYDEBQG-YRPNKDGESA-N 2 1 312.457 3.464 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000775953889 623357218 /nfs/dbraw/zinc/35/72/18/623357218.db2.gz CPVYLOQFMXTFBW-FXAWDEMLSA-N 2 1 316.489 3.098 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000777602586 623547154 /nfs/dbraw/zinc/54/71/54/623547154.db2.gz SJSSHFMVURMAMK-LPHOPBHVSA-N 2 1 319.493 3.302 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000125911854 623596577 /nfs/dbraw/zinc/59/65/77/623596577.db2.gz VGOKQNCMMTUCGR-DOMZBBRYSA-N 2 1 305.853 3.436 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000876987998 623760323 /nfs/dbraw/zinc/76/03/23/623760323.db2.gz PRQVFJAAXDUISC-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000877020429 623767541 /nfs/dbraw/zinc/76/75/41/623767541.db2.gz SZGGVGXFJWBQQA-CQSZACIVSA-N 2 1 301.261 3.422 20 0 DGADMP COc1c(C)cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000877115886 623794183 /nfs/dbraw/zinc/79/41/83/623794183.db2.gz VPAFTAWWVBLGBP-KRWDZBQOSA-N 2 1 319.493 3.165 20 0 DGADMP COc1c(C)cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000877115886 623794185 /nfs/dbraw/zinc/79/41/85/623794185.db2.gz VPAFTAWWVBLGBP-KRWDZBQOSA-N 2 1 319.493 3.165 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000877527715 623924743 /nfs/dbraw/zinc/92/47/43/623924743.db2.gz OCQIJVOTFWUQBQ-UHFFFAOYSA-N 2 1 305.397 3.251 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000877527715 623924748 /nfs/dbraw/zinc/92/47/48/623924748.db2.gz OCQIJVOTFWUQBQ-UHFFFAOYSA-N 2 1 305.397 3.251 20 0 DGADMP CO[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000877547052 623936185 /nfs/dbraw/zinc/93/61/85/623936185.db2.gz PPVIKCTWZSXOBE-BPIHKTFHSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000877654002 623978573 /nfs/dbraw/zinc/97/85/73/623978573.db2.gz SXAFMUFESSNXMK-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744785 624016482 /nfs/dbraw/zinc/01/64/82/624016482.db2.gz XWHWMGKNVVWFDR-QUCCMNQESA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744785 624016497 /nfs/dbraw/zinc/01/64/97/624016497.db2.gz XWHWMGKNVVWFDR-QUCCMNQESA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744785 624016501 /nfs/dbraw/zinc/01/65/01/624016501.db2.gz XWHWMGKNVVWFDR-QUCCMNQESA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744785 624016507 /nfs/dbraw/zinc/01/65/07/624016507.db2.gz XWHWMGKNVVWFDR-QUCCMNQESA-N 2 1 307.441 3.275 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743022 624016716 /nfs/dbraw/zinc/01/67/16/624016716.db2.gz HXKZNTFXBQAGPI-UXHICEINSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743022 624016717 /nfs/dbraw/zinc/01/67/17/624016717.db2.gz HXKZNTFXBQAGPI-UXHICEINSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743022 624016719 /nfs/dbraw/zinc/01/67/19/624016719.db2.gz HXKZNTFXBQAGPI-UXHICEINSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743022 624016722 /nfs/dbraw/zinc/01/67/22/624016722.db2.gz HXKZNTFXBQAGPI-UXHICEINSA-N 2 1 307.441 3.275 20 0 DGADMP CC(C)C[N@H+](Cc1cccc(F)c1N)CC1CC[NH+](C)CC1 ZINC000877767708 624028443 /nfs/dbraw/zinc/02/84/43/624028443.db2.gz UJJOGTXFKIHNKN-UHFFFAOYSA-N 2 1 307.457 3.208 20 0 DGADMP CC(C)C[N@H+](Cc1cncn1C(C)C)CC1CC[NH+](C)CC1 ZINC000877767509 624028668 /nfs/dbraw/zinc/02/86/68/624028668.db2.gz LJHUKVSLTYBNNC-UHFFFAOYSA-N 2 1 306.498 3.264 20 0 DGADMP CC[C@H]1C[C@H](C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CCO1 ZINC000877767408 624028856 /nfs/dbraw/zinc/02/88/56/624028856.db2.gz HLTANADKGBQIQC-MOPGFXCFSA-N 2 1 310.526 3.491 20 0 DGADMP CC(C)C[N@H+](Cc1coc(C2CC2)n1)CC1CC[NH+](C)CC1 ZINC000877767555 624028874 /nfs/dbraw/zinc/02/88/74/624028874.db2.gz NFDUPJJXOOSYKV-UHFFFAOYSA-N 2 1 305.466 3.352 20 0 DGADMP C[NH+](C)C1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000877959993 624110910 /nfs/dbraw/zinc/11/09/10/624110910.db2.gz XOMWTFLKROTSGL-RTBURBONSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878164377 624196065 /nfs/dbraw/zinc/19/60/65/624196065.db2.gz FRTIFCVEYHDOEZ-MOPGFXCFSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878164377 624196066 /nfs/dbraw/zinc/19/60/66/624196066.db2.gz FRTIFCVEYHDOEZ-MOPGFXCFSA-N 2 1 302.462 3.323 20 0 DGADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173131 624202183 /nfs/dbraw/zinc/20/21/83/624202183.db2.gz SNQHLWNMCMNFHB-LMCOJAPRSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173131 624202185 /nfs/dbraw/zinc/20/21/85/624202185.db2.gz SNQHLWNMCMNFHB-LMCOJAPRSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173131 624202186 /nfs/dbraw/zinc/20/21/86/624202186.db2.gz SNQHLWNMCMNFHB-LMCOJAPRSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173131 624202189 /nfs/dbraw/zinc/20/21/89/624202189.db2.gz SNQHLWNMCMNFHB-LMCOJAPRSA-N 2 1 316.489 3.396 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878176178 624202194 /nfs/dbraw/zinc/20/21/94/624202194.db2.gz JHYAUWMIKIDPOU-FUMNGEBKSA-N 2 1 314.473 3.465 20 0 DGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878176178 624202195 /nfs/dbraw/zinc/20/21/95/624202195.db2.gz JHYAUWMIKIDPOU-FUMNGEBKSA-N 2 1 314.473 3.465 20 0 DGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878176178 624202198 /nfs/dbraw/zinc/20/21/98/624202198.db2.gz JHYAUWMIKIDPOU-FUMNGEBKSA-N 2 1 314.473 3.465 20 0 DGADMP Cc1conc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000878196382 624211518 /nfs/dbraw/zinc/21/15/18/624211518.db2.gz ZOLBCUUPVKLQIN-INIZCTEOSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1conc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000878196382 624211523 /nfs/dbraw/zinc/21/15/23/624211523.db2.gz ZOLBCUUPVKLQIN-INIZCTEOSA-N 2 1 305.466 3.460 20 0 DGADMP CC(C)[C@H](O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337252 624247996 /nfs/dbraw/zinc/24/79/96/624247996.db2.gz HFFNXWJOYCNMLB-LJQANCHMSA-N 2 1 319.493 3.027 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000878562918 624308610 /nfs/dbraw/zinc/30/86/10/624308610.db2.gz INPVCVWWJIFAPT-OALUTQOASA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000878562918 624308613 /nfs/dbraw/zinc/30/86/13/624308613.db2.gz INPVCVWWJIFAPT-OALUTQOASA-N 2 1 318.505 3.284 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608188 624321194 /nfs/dbraw/zinc/32/11/94/624321194.db2.gz KQRYQSURHUHIJW-LMWLFIIJSA-N 2 1 314.473 3.464 20 0 DGADMP C[NH+](C[C@H]1CC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608188 624321195 /nfs/dbraw/zinc/32/11/95/624321195.db2.gz KQRYQSURHUHIJW-LMWLFIIJSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000783213193 624324628 /nfs/dbraw/zinc/32/46/28/624324628.db2.gz UWZGOSCDVGMRIC-OAFZBRQQSA-N 2 1 302.462 3.184 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878747392 624353209 /nfs/dbraw/zinc/35/32/09/624353209.db2.gz LHKXYEVNZATQFR-ZDUSSCGKSA-N 2 1 314.260 3.178 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000783492376 624358181 /nfs/dbraw/zinc/35/81/81/624358181.db2.gz IVAZQNPNEDXFLK-APWZRJJASA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000783492376 624358183 /nfs/dbraw/zinc/35/81/83/624358183.db2.gz IVAZQNPNEDXFLK-APWZRJJASA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000783492376 624358186 /nfs/dbraw/zinc/35/81/86/624358186.db2.gz IVAZQNPNEDXFLK-APWZRJJASA-N 2 1 320.477 3.222 20 0 DGADMP COCC[N@@H+](CC[C@@H]1CCCC1(F)F)CC1CC[NH+](C)CC1 ZINC000879125390 624432835 /nfs/dbraw/zinc/43/28/35/624432835.db2.gz BFKGALBGFLTZRW-INIZCTEOSA-N 2 1 318.452 3.102 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000879210270 624452481 /nfs/dbraw/zinc/45/24/81/624452481.db2.gz XYXIKSNFDJIEKM-IBGZPJMESA-N 2 1 316.489 3.451 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570832 624594711 /nfs/dbraw/zinc/59/47/11/624594711.db2.gz JIIICXWBGAYVKA-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570832 624594713 /nfs/dbraw/zinc/59/47/13/624594713.db2.gz JIIICXWBGAYVKA-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570832 624594716 /nfs/dbraw/zinc/59/47/16/624594716.db2.gz JIIICXWBGAYVKA-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570832 624594722 /nfs/dbraw/zinc/59/47/22/624594722.db2.gz JIIICXWBGAYVKA-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570832 624594726 /nfs/dbraw/zinc/59/47/26/624594726.db2.gz JIIICXWBGAYVKA-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580556 624599566 /nfs/dbraw/zinc/59/95/66/624599566.db2.gz UCMVBONCPZMKJU-QYZOEREBSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580556 624599572 /nfs/dbraw/zinc/59/95/72/624599572.db2.gz UCMVBONCPZMKJU-QYZOEREBSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580556 624599573 /nfs/dbraw/zinc/59/95/73/624599573.db2.gz UCMVBONCPZMKJU-QYZOEREBSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580556 624599579 /nfs/dbraw/zinc/59/95/79/624599579.db2.gz UCMVBONCPZMKJU-QYZOEREBSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)C[N@H+](Cc1ccn(C(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879702348 624645497 /nfs/dbraw/zinc/64/54/97/624645497.db2.gz LEBIFOPIJXEFIY-UHFFFAOYSA-N 2 1 306.498 3.264 20 0 DGADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142730 624806546 /nfs/dbraw/zinc/80/65/46/624806546.db2.gz TXINDTFTTKXHEB-ROUUACIJSA-N 2 1 317.864 3.463 20 0 DGADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)c1cccc2ccccc21 ZINC000880142449 624806614 /nfs/dbraw/zinc/80/66/14/624806614.db2.gz OLIRHQKIWVGUDG-ZCNNSNEGSA-N 2 1 310.441 3.042 20 0 DGADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C[C@H](O)c1cccc2ccccc21 ZINC000880142446 624806719 /nfs/dbraw/zinc/80/67/19/624806719.db2.gz OLIRHQKIWVGUDG-AABGKKOBSA-N 2 1 310.441 3.042 20 0 DGADMP FC[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2)C1 ZINC000880294128 624897957 /nfs/dbraw/zinc/89/79/57/624897957.db2.gz HXNMFRBBMJWDEW-HDICACEKSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](CF)C3)cc2)C1 ZINC000880294128 624897960 /nfs/dbraw/zinc/89/79/60/624897960.db2.gz HXNMFRBBMJWDEW-HDICACEKSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](CF)C3)cc2)C1 ZINC000880294128 624897962 /nfs/dbraw/zinc/89/79/62/624897962.db2.gz HXNMFRBBMJWDEW-HDICACEKSA-N 2 1 308.416 3.269 20 0 DGADMP C[NH+]1CCC(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000788473934 625191086 /nfs/dbraw/zinc/19/10/86/625191086.db2.gz NCKGZQCOOBWAHS-MRXNPFEDSA-N 2 1 308.491 3.071 20 0 DGADMP Cc1ccc([C@H]2CSCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788479849 625193437 /nfs/dbraw/zinc/19/34/37/625193437.db2.gz DHLWKLJNCZEDKK-GOSISDBHSA-N 2 1 304.503 3.427 20 0 DGADMP C[NH+]1CCC(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000788481156 625193697 /nfs/dbraw/zinc/19/36/97/625193697.db2.gz FGWNFLJCBHEYEZ-FQEVSTJZSA-N 2 1 316.489 3.090 20 0 DGADMP COC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CCCCC1 ZINC000790949756 625720131 /nfs/dbraw/zinc/72/01/31/625720131.db2.gz ZIJRIETYMVFIEX-UHFFFAOYSA-N 2 1 314.433 3.015 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000882887685 625846395 /nfs/dbraw/zinc/84/63/95/625846395.db2.gz CDEMRMHUWGJOCQ-QGZVFWFLSA-N 2 1 316.489 3.332 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)OCCC[NH+](C)C)cc1)C(C)C ZINC000791824088 625866695 /nfs/dbraw/zinc/86/66/95/625866695.db2.gz KSWXEHQHWLTFOO-UHFFFAOYSA-N 2 1 306.450 3.025 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c2ccsc2S1 ZINC000130549029 625868544 /nfs/dbraw/zinc/86/85/44/625868544.db2.gz OHGHWVIBSJVNOR-JLNYLFASSA-N 2 1 324.515 3.126 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883188534 625962659 /nfs/dbraw/zinc/96/26/59/625962659.db2.gz LQVQZXTUTBWCGN-HNAYVOBHSA-N 2 1 320.452 3.225 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+]1C ZINC000883192978 625964438 /nfs/dbraw/zinc/96/44/38/625964438.db2.gz LTQUZYHLXURSPO-CCKFTAQKSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+]1C ZINC000883192978 625964443 /nfs/dbraw/zinc/96/44/43/625964443.db2.gz LTQUZYHLXURSPO-CCKFTAQKSA-N 2 1 320.452 3.366 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000796691802 626073628 /nfs/dbraw/zinc/07/36/28/626073628.db2.gz DNBIACSOXRJOKO-HYVNUMGLSA-N 2 1 306.425 3.057 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000796725554 626076668 /nfs/dbraw/zinc/07/66/68/626076668.db2.gz XKMQBFHDISWYLU-SOAGJPPSSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000796943450 626097980 /nfs/dbraw/zinc/09/79/80/626097980.db2.gz YTPRUQQPNXXIRC-BRSBDYLESA-N 2 1 316.493 3.304 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000796943450 626097982 /nfs/dbraw/zinc/09/79/82/626097982.db2.gz YTPRUQQPNXXIRC-BRSBDYLESA-N 2 1 316.493 3.304 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934770 626261166 /nfs/dbraw/zinc/26/11/66/626261166.db2.gz IJCXXXJTQMRVMI-MJGOQNOKSA-N 2 1 304.478 3.039 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC4(CC4)C3)cc2)C1 ZINC000883234714 626618567 /nfs/dbraw/zinc/61/85/67/626618567.db2.gz KUCKMKMPAPTGNR-OALUTQOASA-N 2 1 314.473 3.066 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883424341 626679438 /nfs/dbraw/zinc/67/94/38/626679438.db2.gz ONFWTXKTWTVDFV-TZOQOTQKSA-N 2 1 300.446 3.251 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[NH+]3CCC4(CC[NH2+]4)CC3)O2)cc1 ZINC000883433633 626681412 /nfs/dbraw/zinc/68/14/12/626681412.db2.gz VIMVTSADQLLDQS-MSOLQXFVSA-N 2 1 300.446 3.125 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000883437468 626682164 /nfs/dbraw/zinc/68/21/64/626682164.db2.gz SQJUVWHECLPTBL-WOPDTQHZSA-N 2 1 314.342 3.271 20 0 DGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439436 626682749 /nfs/dbraw/zinc/68/27/49/626682749.db2.gz RDTFTMSVUKCSPA-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439436 626682751 /nfs/dbraw/zinc/68/27/51/626682751.db2.gz RDTFTMSVUKCSPA-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000883441263 626683210 /nfs/dbraw/zinc/68/32/10/626683210.db2.gz KRZZPCSDXMZSFV-NVXWUHKLSA-N 2 1 305.466 3.411 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)O2)cc1 ZINC000883440490 626683291 /nfs/dbraw/zinc/68/32/91/626683291.db2.gz RHUFOYRZEPNDSA-ZRNYENFQSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[NH2+]CCC34CCC4)cc2)n1 ZINC000883459123 626686349 /nfs/dbraw/zinc/68/63/49/626686349.db2.gz KVXSVPSDXZGCQM-UHFFFAOYSA-N 2 1 324.472 3.207 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000885929188 627062484 /nfs/dbraw/zinc/06/24/84/627062484.db2.gz MBBHCIWOLHOITB-IRXDYDNUSA-N 2 1 314.433 3.013 20 0 DGADMP c1ccc2c(c1)CCN(CCC[NH2+][C@H]1CCc3cccnc31)C2 ZINC000886497031 627153171 /nfs/dbraw/zinc/15/31/71/627153171.db2.gz PGEMHEPKJJSBRH-IBGZPJMESA-N 2 1 307.441 3.107 20 0 DGADMP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CCc3cccnc31)C2 ZINC000886497032 627153189 /nfs/dbraw/zinc/15/31/89/627153189.db2.gz PGEMHEPKJJSBRH-LJQANCHMSA-N 2 1 307.441 3.107 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000886507637 627154451 /nfs/dbraw/zinc/15/44/51/627154451.db2.gz SSBBNNLDXPPRFP-UHFFFAOYSA-N 2 1 319.537 3.248 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886518848 627156055 /nfs/dbraw/zinc/15/60/55/627156055.db2.gz HUWMQRMKSUWGDL-KRWDZBQOSA-N 2 1 312.392 3.479 20 0 DGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000886523265 627156750 /nfs/dbraw/zinc/15/67/50/627156750.db2.gz ZOCSKPZVILTOGX-QUCCMNQESA-N 2 1 321.468 3.223 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000886523265 627156753 /nfs/dbraw/zinc/15/67/53/627156753.db2.gz ZOCSKPZVILTOGX-QUCCMNQESA-N 2 1 321.468 3.223 20 0 DGADMP Cn1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886536557 627158641 /nfs/dbraw/zinc/15/86/41/627158641.db2.gz KMOFUUZYOYDNDL-ZCNNSNEGSA-N 2 1 309.457 3.168 20 0 DGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000886536336 627158675 /nfs/dbraw/zinc/15/86/75/627158675.db2.gz FYVZDUXUGDSKPW-SFHVURJKSA-N 2 1 304.482 3.114 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000886534839 627158864 /nfs/dbraw/zinc/15/88/64/627158864.db2.gz PLXUDRZJXKBAPJ-BMHOQUIDSA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000886534839 627158866 /nfs/dbraw/zinc/15/88/66/627158866.db2.gz PLXUDRZJXKBAPJ-BMHOQUIDSA-N 2 1 307.526 3.103 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886593849 627169259 /nfs/dbraw/zinc/16/92/59/627169259.db2.gz ASSZMFXCPQQZBU-KRWDZBQOSA-N 2 1 312.392 3.250 20 0 DGADMP CO[C@@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C1CCCC1 ZINC000886659539 627182409 /nfs/dbraw/zinc/18/24/09/627182409.db2.gz PDPIOTGJCUAZGU-KRWDZBQOSA-N 2 1 305.466 3.411 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCCC3CCOCC3)CC2)[nH+]c1C ZINC000886662711 627183721 /nfs/dbraw/zinc/18/37/21/627183721.db2.gz KIBKRLMGMSGADU-UHFFFAOYSA-N 2 1 305.466 3.413 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000886694009 627192142 /nfs/dbraw/zinc/19/21/42/627192142.db2.gz MLQSEGNXORHQBP-ATNRFADISA-N 2 1 308.510 3.005 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000886715747 627196694 /nfs/dbraw/zinc/19/66/94/627196694.db2.gz CSCJINSNMIMCSB-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874513 627212245 /nfs/dbraw/zinc/21/22/45/627212245.db2.gz PLUWLMYERHDDOE-LJQANCHMSA-N 2 1 301.478 3.479 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876226 627212305 /nfs/dbraw/zinc/21/23/05/627212305.db2.gz YTYPCFPKIFFXDI-HSALFYBXSA-N 2 1 314.473 3.372 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887034871 627218860 /nfs/dbraw/zinc/21/88/60/627218860.db2.gz AVLOOAXNYQMWSA-QGZVFWFLSA-N 2 1 305.466 3.131 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887034871 627218862 /nfs/dbraw/zinc/21/88/62/627218862.db2.gz AVLOOAXNYQMWSA-QGZVFWFLSA-N 2 1 305.466 3.131 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c(C)n1 ZINC000887136160 627228172 /nfs/dbraw/zinc/22/81/72/627228172.db2.gz LNDXFGWLFIZIBZ-MRXNPFEDSA-N 2 1 310.445 3.113 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000887135178 627228445 /nfs/dbraw/zinc/22/84/45/627228445.db2.gz XSISTYCMPJSEBG-QWHCGFSZSA-N 2 1 314.260 3.176 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851429 627429771 /nfs/dbraw/zinc/42/97/71/627429771.db2.gz RRSVQSFJKJJQNT-CRAIPNDOSA-N 2 1 301.434 3.026 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851429 627429773 /nfs/dbraw/zinc/42/97/73/627429773.db2.gz RRSVQSFJKJJQNT-CRAIPNDOSA-N 2 1 301.434 3.026 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812854717 627430611 /nfs/dbraw/zinc/43/06/11/627430611.db2.gz VSVYRDVSLBMSLH-MJGOQNOKSA-N 2 1 304.478 3.306 20 0 DGADMP c1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCOCC2)cc1 ZINC000925496384 627573864 /nfs/dbraw/zinc/57/38/64/627573864.db2.gz BAFQRPZHOYETCT-ROUUACIJSA-N 2 1 300.446 3.029 20 0 DGADMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[NH+](C(C)C)C(C)C)n(C)n1 ZINC000924554718 627648839 /nfs/dbraw/zinc/64/88/39/627648839.db2.gz DBPSLLYKHSGZHK-PKOBYXMFSA-N 2 1 320.525 3.148 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924603178 627655695 /nfs/dbraw/zinc/65/56/95/627655695.db2.gz QBURHZIAYFBBNW-PMACEKPBSA-N 2 1 316.489 3.086 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924603178 627655697 /nfs/dbraw/zinc/65/56/97/627655697.db2.gz QBURHZIAYFBBNW-PMACEKPBSA-N 2 1 316.489 3.086 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924684206 627666269 /nfs/dbraw/zinc/66/62/69/627666269.db2.gz JVILZTFYSXZZME-NBMJBFSESA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924683607 627666517 /nfs/dbraw/zinc/66/65/17/627666517.db2.gz GWKIVEHSCJJESR-GIOYIUAESA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924689553 627667653 /nfs/dbraw/zinc/66/76/53/627667653.db2.gz YOZARYGFZJAIPA-SJORKVTESA-N 2 1 318.509 3.382 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(Sc2ccccc2)C1 ZINC000924716596 627672067 /nfs/dbraw/zinc/67/20/67/627672067.db2.gz RWPFJLLAAGSGTN-UHFFFAOYSA-N 2 1 301.459 3.495 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924718222 627672906 /nfs/dbraw/zinc/67/29/06/627672906.db2.gz PXQYZMQPOQEHML-RTWAWAEBSA-N 2 1 323.484 3.165 20 0 DGADMP CSC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000924774457 627678346 /nfs/dbraw/zinc/67/83/46/627678346.db2.gz AGGVMTRIZLDUMR-UHFFFAOYSA-N 2 1 305.422 3.303 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000815578478 627687212 /nfs/dbraw/zinc/68/72/12/627687212.db2.gz OZYDLAFLYOQAGE-WBVHZDCISA-N 2 1 308.441 3.022 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924855999 627687887 /nfs/dbraw/zinc/68/78/87/627687887.db2.gz ZWYRTVHWNPXPMD-AEFFLSMTSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924855999 627687890 /nfs/dbraw/zinc/68/78/90/627687890.db2.gz ZWYRTVHWNPXPMD-AEFFLSMTSA-N 2 1 310.445 3.039 20 0 DGADMP CC(C)n1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000925107015 627708739 /nfs/dbraw/zinc/70/87/39/627708739.db2.gz QSUGDZDGIVDEQJ-OAHLLOKOSA-N 2 1 300.450 3.376 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925525085 627747136 /nfs/dbraw/zinc/74/71/36/627747136.db2.gz FPPZKQSKWMWVIN-UXHICEINSA-N 2 1 315.505 3.006 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925607215 627762085 /nfs/dbraw/zinc/76/20/85/627762085.db2.gz ARUGZWOCKICJCQ-ZWKOTPCHSA-N 2 1 317.477 3.128 20 0 DGADMP c1ccc(COCCC2([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925636016 627766156 /nfs/dbraw/zinc/76/61/56/627766156.db2.gz YSKIXEGTQFOWCY-KRWDZBQOSA-N 2 1 300.446 3.000 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C12CCC2 ZINC000925669116 627773941 /nfs/dbraw/zinc/77/39/41/627773941.db2.gz PDFPDGAJGTWPQP-YSTOQKLRSA-N 2 1 322.452 3.321 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)C12CCC2 ZINC000925670143 627773965 /nfs/dbraw/zinc/77/39/65/627773965.db2.gz ITDAJROTJXACIG-RBUKOAKNSA-N 2 1 323.440 3.020 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C12CCC2 ZINC000925669117 627774115 /nfs/dbraw/zinc/77/41/15/627774115.db2.gz PDFPDGAJGTWPQP-ZGXWSNOMSA-N 2 1 322.452 3.321 20 0 DGADMP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000925678076 627775113 /nfs/dbraw/zinc/77/51/13/627775113.db2.gz ZVCYFKLBVRYYFQ-RTBURBONSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000925722659 627781690 /nfs/dbraw/zinc/78/16/90/627781690.db2.gz MZZLZKSBQJYDJO-NMLACTOBSA-N 2 1 310.441 3.442 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000925722658 627781874 /nfs/dbraw/zinc/78/18/74/627781874.db2.gz MZZLZKSBQJYDJO-KNTRFNDTSA-N 2 1 310.441 3.442 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925734525 627784637 /nfs/dbraw/zinc/78/46/37/627784637.db2.gz AHOWWMHLHWEMPB-NZSAHSFTSA-N 2 1 314.473 3.439 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773584 627792922 /nfs/dbraw/zinc/79/29/22/627792922.db2.gz DSWKSRQFMUHSLO-QRVBRYPASA-N 2 1 314.473 3.419 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc(C)c1F ZINC000925783467 627794629 /nfs/dbraw/zinc/79/46/29/627794629.db2.gz OVGMYXRADTUKHS-OCCSQVGLSA-N 2 1 300.368 3.338 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCN3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000925837596 627803183 /nfs/dbraw/zinc/80/31/83/627803183.db2.gz RCCAPANHQPDAEV-VQTJNVASSA-N 2 1 321.468 3.132 20 0 DGADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(Cl)c1 ZINC000925849238 627805558 /nfs/dbraw/zinc/80/55/58/627805558.db2.gz NKAUEGQFYDBILS-HNNXBMFYSA-N 2 1 309.885 3.066 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)s1 ZINC000925850131 627806570 /nfs/dbraw/zinc/80/65/70/627806570.db2.gz SJENGLBAGCWADS-HNNXBMFYSA-N 2 1 309.523 3.037 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926112440 627845656 /nfs/dbraw/zinc/84/56/56/627845656.db2.gz VBYJWDXADXCIRZ-BXWFABGCSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926112440 627845662 /nfs/dbraw/zinc/84/56/62/627845662.db2.gz VBYJWDXADXCIRZ-BXWFABGCSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926112443 627845966 /nfs/dbraw/zinc/84/59/66/627845966.db2.gz VBYJWDXADXCIRZ-TXPKVOOTSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926112443 627845971 /nfs/dbraw/zinc/84/59/71/627845971.db2.gz VBYJWDXADXCIRZ-TXPKVOOTSA-N 2 1 310.445 3.038 20 0 DGADMP CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)o1 ZINC000926480316 627902204 /nfs/dbraw/zinc/90/22/04/627902204.db2.gz JZMUUSZNHUTRHN-ZDUSSCGKSA-N 2 1 301.434 3.458 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926571885 627916215 /nfs/dbraw/zinc/91/62/15/627916215.db2.gz AEFGKIKTKYQUKV-SJORKVTESA-N 3 1 303.494 3.131 20 0 DGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635356 627924715 /nfs/dbraw/zinc/92/47/15/627924715.db2.gz NTDATLLDBQTEFC-ZRNYENFQSA-N 2 1 318.505 3.251 20 0 DGADMP CCON1CCC([NH2+]CCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000926648147 627927253 /nfs/dbraw/zinc/92/72/53/627927253.db2.gz GVFJEDPBXZVEQU-UHFFFAOYSA-N 2 1 311.514 3.037 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000926766662 627949489 /nfs/dbraw/zinc/94/94/89/627949489.db2.gz YHVAMOSTVYMQGD-LJQANCHMSA-N 2 1 307.526 3.103 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)oc21 ZINC000817866009 627951967 /nfs/dbraw/zinc/95/19/67/627951967.db2.gz RXYGEMFURTYESU-IPYPFGDCSA-N 2 1 302.418 3.247 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894282 627954392 /nfs/dbraw/zinc/95/43/92/627954392.db2.gz LDHSLFWTUUCYGT-FGTMMUONSA-N 2 1 304.478 3.138 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000817905999 627957754 /nfs/dbraw/zinc/95/77/54/627957754.db2.gz WUZIIRVLAZIJIR-QLFBSQMISA-N 2 1 317.260 3.276 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000817905689 627957985 /nfs/dbraw/zinc/95/79/85/627957985.db2.gz MEDVTXFDYZRRPI-RDBSUJKOSA-N 2 1 317.260 3.276 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000817916661 627960628 /nfs/dbraw/zinc/96/06/28/627960628.db2.gz JJPKJXXEPDIEHA-BRWVUGGUSA-N 2 1 320.795 3.247 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817933103 627965705 /nfs/dbraw/zinc/96/57/05/627965705.db2.gz YIJYSZHTWPRHKK-LLVKDONJSA-N 2 1 304.825 3.056 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817936711 627966693 /nfs/dbraw/zinc/96/66/93/627966693.db2.gz MAJVKRPIRQTOQN-UBHSHLNASA-N 2 1 301.261 3.118 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000817958662 627975155 /nfs/dbraw/zinc/97/51/55/627975155.db2.gz LGRBWOXUSNONGX-KSSFIOAISA-N 2 1 320.477 3.400 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817978869 627981743 /nfs/dbraw/zinc/98/17/43/627981743.db2.gz FWOFRSHTPOGYNF-MAUKXSAKSA-N 3 1 319.493 3.069 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC ZINC000817980922 627982234 /nfs/dbraw/zinc/98/22/34/627982234.db2.gz FTMMNYZGQIJRLT-GUYCJALGSA-N 2 1 306.450 3.010 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Br)nc1 ZINC000817981414 627982614 /nfs/dbraw/zinc/98/26/14/627982614.db2.gz JBCVLMKMKCACMU-GWCFXTLKSA-N 2 1 312.255 3.012 20 0 DGADMP C1CC[C@@H]2C[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC[C@H]2C1 ZINC000817983260 627983651 /nfs/dbraw/zinc/98/36/51/627983651.db2.gz LGLXTRFZGWUZCI-JAMPWESASA-N 2 1 319.537 3.151 20 0 DGADMP CC(C)C[NH+]1CCC(N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000817982694 627983724 /nfs/dbraw/zinc/98/37/24/627983724.db2.gz VMEQKRNETMVPIT-IBGZPJMESA-N 2 1 303.494 3.177 20 0 DGADMP CC(C)CN1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000817982694 627983726 /nfs/dbraw/zinc/98/37/26/627983726.db2.gz VMEQKRNETMVPIT-IBGZPJMESA-N 2 1 303.494 3.177 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]2CCC[C@H]21 ZINC000926978216 627992093 /nfs/dbraw/zinc/99/20/93/627992093.db2.gz QNJFAFDAANBLPW-UYTYNIKBSA-N 2 1 320.427 3.498 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000927019844 627998977 /nfs/dbraw/zinc/99/89/77/627998977.db2.gz UYDFOFMBPSLLIQ-KBXCAEBGSA-N 2 1 301.434 3.382 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(c3ccccc3)CCCO2)[C@@H](C)C1 ZINC000927114657 628018844 /nfs/dbraw/zinc/01/88/44/628018844.db2.gz GJIUDNMMKSDVKG-YTQUADARSA-N 2 1 302.462 3.012 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818959438 628067110 /nfs/dbraw/zinc/06/71/10/628067110.db2.gz KBKNJAAKTYAIFR-YJBOKZPZSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000818959705 628067433 /nfs/dbraw/zinc/06/74/33/628067433.db2.gz RHNUVRFVBFELLX-YJBOKZPZSA-N 2 1 324.896 3.475 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000818971378 628070464 /nfs/dbraw/zinc/07/04/64/628070464.db2.gz VGKZDJBMHXJFFF-LJQANCHMSA-N 2 1 316.420 3.101 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000818985111 628073018 /nfs/dbraw/zinc/07/30/18/628073018.db2.gz OIIUTPIDDHDCPS-HKUYNNGSSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000819181893 628107602 /nfs/dbraw/zinc/10/76/02/628107602.db2.gz DASJBNCVXPATQL-QFBILLFUSA-N 2 1 322.468 3.125 20 0 DGADMP OCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820810916 628299696 /nfs/dbraw/zinc/29/96/96/628299696.db2.gz HLZCBHZAERMUCZ-QZNYNHHHSA-N 2 1 314.473 3.248 20 0 DGADMP Fc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CCO2 ZINC000820840865 628303601 /nfs/dbraw/zinc/30/36/01/628303601.db2.gz DERVAUMMQJNPOW-NZZOQPFGSA-N 2 1 316.420 3.397 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CCO2 ZINC000820840865 628303604 /nfs/dbraw/zinc/30/36/04/628303604.db2.gz DERVAUMMQJNPOW-NZZOQPFGSA-N 2 1 316.420 3.397 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CCO2 ZINC000820840865 628303606 /nfs/dbraw/zinc/30/36/06/628303606.db2.gz DERVAUMMQJNPOW-NZZOQPFGSA-N 2 1 316.420 3.397 20 0 DGADMP c1csc(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000821857653 628404365 /nfs/dbraw/zinc/40/43/65/628404365.db2.gz IUTOWHUKRDTPDC-KRWDZBQOSA-N 2 1 315.486 3.330 20 0 DGADMP Clc1ccc(OC[C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000823585090 628576545 /nfs/dbraw/zinc/57/65/45/628576545.db2.gz ULUCIKOLXOTQNP-INIZCTEOSA-N 2 1 308.853 3.183 20 0 DGADMP C[C@]1(CNCc2ccncc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332506 628651898 /nfs/dbraw/zinc/65/18/98/628651898.db2.gz OENPRCHNNPYNJW-LJQANCHMSA-N 2 1 313.420 3.223 20 0 DGADMP COCc1csc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000825762364 628795278 /nfs/dbraw/zinc/79/52/78/628795278.db2.gz KEQJBLHGIIZDBT-UHFFFAOYSA-N 2 1 308.491 3.202 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029071 629218401 /nfs/dbraw/zinc/21/84/01/629218401.db2.gz WTJJVOUVSAWGOX-LJQANCHMSA-N 2 1 300.446 3.146 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029071 629218405 /nfs/dbraw/zinc/21/84/05/629218405.db2.gz WTJJVOUVSAWGOX-LJQANCHMSA-N 2 1 300.446 3.146 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029071 629218408 /nfs/dbraw/zinc/21/84/08/629218408.db2.gz WTJJVOUVSAWGOX-LJQANCHMSA-N 2 1 300.446 3.146 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029071 629218410 /nfs/dbraw/zinc/21/84/10/629218410.db2.gz WTJJVOUVSAWGOX-LJQANCHMSA-N 2 1 300.446 3.146 20 0 DGADMP CCOc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000834910409 629806486 /nfs/dbraw/zinc/80/64/86/629806486.db2.gz WVOPVGOFPRKFKN-BPIHKTFHSA-N 2 1 316.489 3.479 20 0 DGADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835061837 629841935 /nfs/dbraw/zinc/84/19/35/629841935.db2.gz JVVPSNKERQMGKD-UHFFFAOYSA-N 2 1 312.889 3.161 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000841032289 630399220 /nfs/dbraw/zinc/39/92/20/630399220.db2.gz BAVLZACMXVMMIF-FUHWJXTLSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000841078109 630404966 /nfs/dbraw/zinc/40/49/66/630404966.db2.gz GGHYYNKIOZNGRT-KGLIPLIRSA-N 2 1 302.393 3.230 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000841076870 630405026 /nfs/dbraw/zinc/40/50/26/630405026.db2.gz RVTOVJBELTZEOU-HOTGVXAUSA-N 2 1 313.445 3.103 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)oc21 ZINC000841087820 630406826 /nfs/dbraw/zinc/40/68/26/630406826.db2.gz QFXJFXYYOOAQRK-RDJZCZTQSA-N 2 1 314.429 3.405 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000842471458 630538681 /nfs/dbraw/zinc/53/86/81/630538681.db2.gz CEVYLDIWXZUXSM-YJBOKZPZSA-N 2 1 310.441 3.357 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000842471834 630538757 /nfs/dbraw/zinc/53/87/57/630538757.db2.gz CGINCNCPGNCHMR-INIZCTEOSA-N 2 1 304.434 3.461 20 0 DGADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H](O)c1ccc(F)cc1 ZINC000842472995 630539453 /nfs/dbraw/zinc/53/94/53/630539453.db2.gz LLYYTWGXQOXDOL-QFBILLFUSA-N 2 1 322.468 3.207 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H](c2ccc(F)cc2)O1 ZINC000842472628 630539525 /nfs/dbraw/zinc/53/95/25/630539525.db2.gz GVOMNGWCKNTSDA-CRAIPNDOSA-N 2 1 308.441 3.497 20 0 DGADMP CC[N@@H+](CCCCCCC[NH3+])[C@@H]1CCN(c2ccccc2)C1=O ZINC000842473271 630539649 /nfs/dbraw/zinc/53/96/49/630539649.db2.gz SKLOFPDIVSSATN-GOSISDBHSA-N 2 1 317.477 3.023 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000842706928 630566237 /nfs/dbraw/zinc/56/62/37/630566237.db2.gz HKNZCPODDOJRAS-MFPFXBIISA-N 2 1 314.473 3.339 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@H](c2ccccc2)C1 ZINC000842765585 630573503 /nfs/dbraw/zinc/57/35/03/630573503.db2.gz MBKMSBQZLFYAAX-SJORKVTESA-N 2 1 315.848 3.170 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@H](c2ccccc2)C1 ZINC000842765585 630573504 /nfs/dbraw/zinc/57/35/04/630573504.db2.gz MBKMSBQZLFYAAX-SJORKVTESA-N 2 1 315.848 3.170 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Oc2cnccn2)cc1 ZINC000843054416 630608873 /nfs/dbraw/zinc/60/88/73/630608873.db2.gz YCMFDUBKMABNJQ-ALOPSCKCSA-N 2 1 324.428 3.113 20 0 DGADMP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CCC([NH3+])CC1 ZINC000843055752 630609564 /nfs/dbraw/zinc/60/95/64/630609564.db2.gz OPKBPJFTPPNSPE-UHFFFAOYSA-N 2 1 318.852 3.227 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055462 630609623 /nfs/dbraw/zinc/60/96/23/630609623.db2.gz CKYMKQWXBYZBDB-UHFFFAOYSA-N 2 1 312.461 3.191 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000843128359 630617347 /nfs/dbraw/zinc/61/73/47/630617347.db2.gz JGBJCTLWDGZWCV-NEPJUHHUSA-N 2 1 306.841 3.050 20 0 DGADMP C[C@@H]([NH2+]C1CC1)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843173822 630626066 /nfs/dbraw/zinc/62/60/66/630626066.db2.gz SUZCBGYXPLYTCA-CYBMUJFWSA-N 2 1 312.417 3.145 20 0 DGADMP CCc1ccc2c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(=O)oc2c1 ZINC000843354505 630648959 /nfs/dbraw/zinc/64/89/59/630648959.db2.gz KASDIJDWAUICKW-KRWDZBQOSA-N 2 1 316.445 3.161 20 0 DGADMP CCc1ccc2c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(=O)oc2c1 ZINC000843354505 630648960 /nfs/dbraw/zinc/64/89/60/630648960.db2.gz KASDIJDWAUICKW-KRWDZBQOSA-N 2 1 316.445 3.161 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000843377746 630650846 /nfs/dbraw/zinc/65/08/46/630650846.db2.gz JARNOSZCDAEVIR-HZPDHXFCSA-N 2 1 317.477 3.199 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000844222778 630713045 /nfs/dbraw/zinc/71/30/45/630713045.db2.gz LNIONWIMFBAYIC-UHFFFAOYSA-N 2 1 311.429 3.226 20 0 DGADMP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000845928673 631202565 /nfs/dbraw/zinc/20/25/65/631202565.db2.gz PQCNOPZYSWFJOE-MRXNPFEDSA-N 2 1 316.449 3.117 20 0 DGADMP [NH3+]CCCCCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000846218763 631215431 /nfs/dbraw/zinc/21/54/31/631215431.db2.gz UPOAGKAYOQSONI-SFHVURJKSA-N 2 1 308.441 3.326 20 0 DGADMP CC[N@@H+](CCCCCC[NH3+])CC(=O)Nc1c(C)cccc1C ZINC000846219708 631215556 /nfs/dbraw/zinc/21/55/56/631215556.db2.gz WIVDOWFPWUIPSO-UHFFFAOYSA-N 2 1 305.466 3.083 20 0 DGADMP CC(C)C1CCC(N2CC[NH+](CCCCCC[NH3+])CC2)CC1 ZINC000846220689 631215611 /nfs/dbraw/zinc/21/56/11/631215611.db2.gz URIZUHZURQBUGG-UHFFFAOYSA-N 2 1 309.542 3.338 20 0 DGADMP C[N@@H+](CCCCNC(=[NH2+])Nc1cccc2c1CCCC2)C1CC1 ZINC000849039600 631815665 /nfs/dbraw/zinc/81/56/65/631815665.db2.gz IQQCTQSKIHWPEY-UHFFFAOYSA-N 2 1 314.477 3.376 20 0 DGADMP CC(C)c1cccc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000849041621 631816857 /nfs/dbraw/zinc/81/68/57/631816857.db2.gz SVNLBXRKVKXTAX-HNNXBMFYSA-N 2 1 302.466 3.478 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+](C)CCOC)cc1 ZINC000849070861 631826485 /nfs/dbraw/zinc/82/64/85/631826485.db2.gz JTANPSYFSZJVIM-HNNXBMFYSA-N 2 1 320.481 3.105 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849080622 631829338 /nfs/dbraw/zinc/82/93/38/631829338.db2.gz ZNIZKQLGWYXEDI-BETUJISGSA-N 2 1 324.419 3.269 20 0 DGADMP CC(C)CCNC(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000849092520 631833382 /nfs/dbraw/zinc/83/33/82/631833382.db2.gz MTCRKTUFUWECCY-GOSISDBHSA-N 2 1 316.493 3.057 20 0 DGADMP CC[NH+](CC)CCOc1ccc(NCc2c[nH+]c(C)n2C)cc1 ZINC000850045675 632038348 /nfs/dbraw/zinc/03/83/48/632038348.db2.gz IWGQWSULUVTEDA-UHFFFAOYSA-N 2 1 316.449 3.061 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000850466207 632161482 /nfs/dbraw/zinc/16/14/82/632161482.db2.gz JLQKJUYYBZHUSM-AZUAARDMSA-N 2 1 324.472 3.220 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000850466207 632161487 /nfs/dbraw/zinc/16/14/87/632161487.db2.gz JLQKJUYYBZHUSM-AZUAARDMSA-N 2 1 324.472 3.220 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC(F)F)CC1 ZINC000851814511 632502563 /nfs/dbraw/zinc/50/25/63/632502563.db2.gz SKCDLUBAUJXAGK-AWEZNQCLSA-N 2 1 304.425 3.202 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851884852 632514090 /nfs/dbraw/zinc/51/40/90/632514090.db2.gz GLKNJCFFETZWJY-UHFFFAOYSA-N 2 1 323.308 3.376 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)C1 ZINC000852021659 632540241 /nfs/dbraw/zinc/54/02/41/632540241.db2.gz BEDBHVUXFKZSMB-YESZJQIVSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021659 632540249 /nfs/dbraw/zinc/54/02/49/632540249.db2.gz BEDBHVUXFKZSMB-YESZJQIVSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021659 632540253 /nfs/dbraw/zinc/54/02/53/632540253.db2.gz BEDBHVUXFKZSMB-YESZJQIVSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021659 632540260 /nfs/dbraw/zinc/54/02/60/632540260.db2.gz BEDBHVUXFKZSMB-YESZJQIVSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021659 632540263 /nfs/dbraw/zinc/54/02/63/632540263.db2.gz BEDBHVUXFKZSMB-YESZJQIVSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)C1 ZINC000852021658 632540517 /nfs/dbraw/zinc/54/05/17/632540517.db2.gz BEDBHVUXFKZSMB-IXDOHACOSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021658 632540519 /nfs/dbraw/zinc/54/05/19/632540519.db2.gz BEDBHVUXFKZSMB-IXDOHACOSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021658 632540524 /nfs/dbraw/zinc/54/05/24/632540524.db2.gz BEDBHVUXFKZSMB-IXDOHACOSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021658 632540527 /nfs/dbraw/zinc/54/05/27/632540527.db2.gz BEDBHVUXFKZSMB-IXDOHACOSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021658 632540530 /nfs/dbraw/zinc/54/05/30/632540530.db2.gz BEDBHVUXFKZSMB-IXDOHACOSA-N 2 1 322.518 3.378 20 0 DGADMP O[C@H](CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccccc1 ZINC000852115264 632557495 /nfs/dbraw/zinc/55/74/95/632557495.db2.gz DPCNNDWHTVAKQL-OAQYLSRUSA-N 2 1 324.468 3.364 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185279458 660213002 /nfs/dbraw/zinc/21/30/02/660213002.db2.gz SWVVXRZDIPUICZ-CYBMUJFWSA-N 2 1 311.813 3.070 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185279458 660213003 /nfs/dbraw/zinc/21/30/03/660213003.db2.gz SWVVXRZDIPUICZ-CYBMUJFWSA-N 2 1 311.813 3.070 20 0 DGADMP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737866 660238625 /nfs/dbraw/zinc/23/86/25/660238625.db2.gz GLCKNVHGMMVDCY-QKLQHJQFSA-N 2 1 316.489 3.137 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000453106430 660484940 /nfs/dbraw/zinc/48/49/40/660484940.db2.gz JFHFOWWDQRVWDG-ZWKOTPCHSA-N 2 1 302.462 3.186 20 0 DGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003939829 660518749 /nfs/dbraw/zinc/51/87/49/660518749.db2.gz BQCOBCCISFBBMK-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034438019 660754264 /nfs/dbraw/zinc/75/42/64/660754264.db2.gz JZZGCDAHTOTGMH-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955891 660915646 /nfs/dbraw/zinc/91/56/46/660915646.db2.gz DLHWWHRTOPDBOX-RYUDHWBXSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955891 660915647 /nfs/dbraw/zinc/91/56/47/660915647.db2.gz DLHWWHRTOPDBOX-RYUDHWBXSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708523849 660923911 /nfs/dbraw/zinc/92/39/11/660923911.db2.gz RTWXPOJJJUYIHE-JYBIWHBTSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000708514648 660924112 /nfs/dbraw/zinc/92/41/12/660924112.db2.gz UBJVMMDHWFAHMJ-RHSMWYFYSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000708514648 660924114 /nfs/dbraw/zinc/92/41/14/660924114.db2.gz UBJVMMDHWFAHMJ-RHSMWYFYSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792915140 660993400 /nfs/dbraw/zinc/99/34/00/660993400.db2.gz RBPIOZYPBMFXTA-OLZOCXBDSA-N 2 1 302.249 3.097 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792915140 660993403 /nfs/dbraw/zinc/99/34/03/660993403.db2.gz RBPIOZYPBMFXTA-OLZOCXBDSA-N 2 1 302.249 3.097 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000792968382 660997624 /nfs/dbraw/zinc/99/76/24/660997624.db2.gz GNHIUUYSEUOSFS-AQNXPRMDSA-N 2 1 316.489 3.269 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000792968382 660997626 /nfs/dbraw/zinc/99/76/26/660997626.db2.gz GNHIUUYSEUOSFS-AQNXPRMDSA-N 2 1 316.489 3.269 20 0 DGADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000793203178 661012676 /nfs/dbraw/zinc/01/26/76/661012676.db2.gz TWMIEOQXZGWUQZ-KRWDZBQOSA-N 2 1 315.848 3.347 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n(C)n1 ZINC000793523838 661041303 /nfs/dbraw/zinc/04/13/03/661041303.db2.gz FHGDLGYRTMFBPL-INIZCTEOSA-N 2 1 318.509 3.424 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156611 655529186 /nfs/dbraw/zinc/52/91/86/655529186.db2.gz YBZRUXIPQFEDER-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156611 655529187 /nfs/dbraw/zinc/52/91/87/655529187.db2.gz YBZRUXIPQFEDER-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156611 655529188 /nfs/dbraw/zinc/52/91/88/655529188.db2.gz YBZRUXIPQFEDER-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174048 655604474 /nfs/dbraw/zinc/60/44/74/655604474.db2.gz SAOZJTRHBSKUOY-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174048 655604475 /nfs/dbraw/zinc/60/44/75/655604475.db2.gz SAOZJTRHBSKUOY-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)CC(C)C ZINC000161268455 655776724 /nfs/dbraw/zinc/77/67/24/655776724.db2.gz OXXWFQPGYKYICY-QGZVFWFLSA-N 2 1 312.498 3.018 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795905234 661178323 /nfs/dbraw/zinc/17/83/23/661178323.db2.gz YSEUMSDCWGOSDD-INIZCTEOSA-N 2 1 324.509 3.020 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795905234 661178326 /nfs/dbraw/zinc/17/83/26/661178326.db2.gz YSEUMSDCWGOSDD-INIZCTEOSA-N 2 1 324.509 3.020 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+]CC2CCC3(CC2)OCCO3)([NH+](C)C)C1 ZINC000795903073 661178429 /nfs/dbraw/zinc/17/84/29/661178429.db2.gz NEMFMCMWECVJCK-AEFFLSMTSA-N 2 1 324.509 3.020 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1csc(Br)c1 ZINC000051919533 655794545 /nfs/dbraw/zinc/79/45/45/655794545.db2.gz KFKWHLCQQYDANU-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091843944 655845373 /nfs/dbraw/zinc/84/53/73/655845373.db2.gz CJRHQYSBKIFXND-UHFFFAOYSA-N 2 1 302.340 3.287 20 0 DGADMP Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000309652214 655868020 /nfs/dbraw/zinc/86/80/20/655868020.db2.gz HCSWQUPWZCRKIK-KRWDZBQOSA-N 2 1 314.404 3.143 20 0 DGADMP C[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310091114 656209486 /nfs/dbraw/zinc/20/94/86/656209486.db2.gz RDVRSMGOGYVFMD-RTWAWAEBSA-N 2 1 324.468 3.222 20 0 DGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000313570037 656292606 /nfs/dbraw/zinc/29/26/06/656292606.db2.gz XXCUHQUCXFKGEZ-YLJYHZDGSA-N 2 1 312.457 3.220 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000724278887 656513657 /nfs/dbraw/zinc/51/36/57/656513657.db2.gz KWQPJEXYFLKWDL-LCLWPZTBSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261548678 656907273 /nfs/dbraw/zinc/90/72/73/656907273.db2.gz NVGMXQNUFBQLLT-VQIMIIECSA-N 2 1 310.441 3.435 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000067222794 657064879 /nfs/dbraw/zinc/06/48/79/657064879.db2.gz VSFXBWWVSNWAHN-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000067222794 657064882 /nfs/dbraw/zinc/06/48/82/657064882.db2.gz VSFXBWWVSNWAHN-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP c1sc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1-c1ccccc1 ZINC000262074172 657314650 /nfs/dbraw/zinc/31/46/50/657314650.db2.gz SIAKYTQZNBFOAG-UHFFFAOYSA-N 2 1 313.470 3.386 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262106217 657364375 /nfs/dbraw/zinc/36/43/75/657364375.db2.gz WACFMYIPOBIRHP-UHFFFAOYSA-N 2 1 300.446 3.051 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2Cl)C[C@H](C)O1 ZINC000067452907 657391278 /nfs/dbraw/zinc/39/12/78/657391278.db2.gz DPLWYUIIOYIRER-GASCZTMLSA-N 2 1 310.869 3.319 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968857389 657502709 /nfs/dbraw/zinc/50/27/09/657502709.db2.gz XIVAFPGOHQWMBS-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000969108447 657558138 /nfs/dbraw/zinc/55/81/38/657558138.db2.gz BRBHXTXWXLRVKY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC000969108447 657558141 /nfs/dbraw/zinc/55/81/41/657558141.db2.gz BRBHXTXWXLRVKY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC000969108447 657558144 /nfs/dbraw/zinc/55/81/44/657558144.db2.gz BRBHXTXWXLRVKY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)[C@@H](C)C1 ZINC000305146100 657688020 /nfs/dbraw/zinc/68/80/20/657688020.db2.gz NMTHMUNZENQMEP-BPUTZDHNSA-N 2 1 318.486 3.255 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826841 658224678 /nfs/dbraw/zinc/22/46/78/658224678.db2.gz UYLQSOWMKGCTSY-MJQMVNBJSA-N 2 1 315.505 3.285 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826841 658224687 /nfs/dbraw/zinc/22/46/87/658224687.db2.gz UYLQSOWMKGCTSY-MJQMVNBJSA-N 2 1 315.505 3.285 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1)C[NH+]1CCCC1 ZINC000322591900 658541462 /nfs/dbraw/zinc/54/14/62/658541462.db2.gz KDJTUSSPHSDCON-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cccnc1=S ZINC000171044787 659256288 /nfs/dbraw/zinc/25/62/88/659256288.db2.gz XOUYHYCNSXUTBE-UHFFFAOYSA-N 2 1 316.474 3.154 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cccnc1=S ZINC000171044787 659256292 /nfs/dbraw/zinc/25/62/92/659256292.db2.gz XOUYHYCNSXUTBE-UHFFFAOYSA-N 2 1 316.474 3.154 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930061641 659902093 /nfs/dbraw/zinc/90/20/93/659902093.db2.gz ULHLOCBKQLHRME-QRQLOZEOSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930061641 659902095 /nfs/dbraw/zinc/90/20/95/659902095.db2.gz ULHLOCBKQLHRME-QRQLOZEOSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930061641 659902097 /nfs/dbraw/zinc/90/20/97/659902097.db2.gz ULHLOCBKQLHRME-QRQLOZEOSA-N 2 1 318.505 3.427 20 0 DGADMP CCc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352778595 659908903 /nfs/dbraw/zinc/90/89/03/659908903.db2.gz VYAHKXWOVHXRAI-UHFFFAOYSA-N 2 1 303.475 3.099 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070170944 660040437 /nfs/dbraw/zinc/04/04/37/660040437.db2.gz OJJMHSBQWVWKOP-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000929297287 661295060 /nfs/dbraw/zinc/29/50/60/661295060.db2.gz QNWXNFLRDVHFNL-HNNXBMFYSA-N 2 1 324.431 3.134 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1)[NH+]1CCCCC1 ZINC000929720101 661331927 /nfs/dbraw/zinc/33/19/27/661331927.db2.gz VKOOCPXOLBOQIB-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@@H+](CCCc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753614 661334808 /nfs/dbraw/zinc/33/48/08/661334808.db2.gz CGAPTBYKLPRGOS-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCCc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929753614 661334809 /nfs/dbraw/zinc/33/48/09/661334809.db2.gz CGAPTBYKLPRGOS-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP Cc1nc(C)c(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000929762968 661335667 /nfs/dbraw/zinc/33/56/67/661335667.db2.gz AINMFCMUGARFEI-GOSISDBHSA-N 2 1 312.461 3.123 20 0 DGADMP CCCC[N@@H+](CCc1cnn(C)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033707 661446901 /nfs/dbraw/zinc/44/69/01/661446901.db2.gz KHALVYSGJFXDMS-UHFFFAOYSA-N 2 1 320.525 3.374 20 0 DGADMP CC(C)(C)SCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285556 661464026 /nfs/dbraw/zinc/46/40/26/661464026.db2.gz QNHAZJASIILDMF-UHFFFAOYSA-N 2 1 314.539 3.095 20 0 DGADMP CC(C)(C)SCCC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931285556 661464030 /nfs/dbraw/zinc/46/40/30/661464030.db2.gz QNHAZJASIILDMF-UHFFFAOYSA-N 2 1 314.539 3.095 20 0 DGADMP CC(C)(C)SCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285556 661464031 /nfs/dbraw/zinc/46/40/31/661464031.db2.gz QNHAZJASIILDMF-UHFFFAOYSA-N 2 1 314.539 3.095 20 0 DGADMP CC(C)(C)SCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285556 661464033 /nfs/dbraw/zinc/46/40/33/661464033.db2.gz QNHAZJASIILDMF-UHFFFAOYSA-N 2 1 314.539 3.095 20 0 DGADMP Cc1cccc(CCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931287381 661464055 /nfs/dbraw/zinc/46/40/55/661464055.db2.gz XIUWSDYWVJZDKC-UHFFFAOYSA-N 2 1 316.489 3.114 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371187 661471261 /nfs/dbraw/zinc/47/12/61/661471261.db2.gz VRTMEGRQJGIPTH-HZPDHXFCSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371187 661471263 /nfs/dbraw/zinc/47/12/63/661471263.db2.gz VRTMEGRQJGIPTH-HZPDHXFCSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371187 661471264 /nfs/dbraw/zinc/47/12/64/661471264.db2.gz VRTMEGRQJGIPTH-HZPDHXFCSA-N 2 1 312.461 3.227 20 0 DGADMP CC[C@H](OCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccccc1 ZINC000931442099 661476803 /nfs/dbraw/zinc/47/68/03/661476803.db2.gz UNACXXGZSFQVKB-OTWHNJEPSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931442099 661476805 /nfs/dbraw/zinc/47/68/05/661476805.db2.gz UNACXXGZSFQVKB-OTWHNJEPSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931442099 661476807 /nfs/dbraw/zinc/47/68/07/661476807.db2.gz UNACXXGZSFQVKB-OTWHNJEPSA-N 2 1 302.462 3.038 20 0 DGADMP Nc1cc[nH+]c2c1C[N@H+](CC1CCC(C(F)(F)F)CC1)CC2 ZINC000931518033 661484346 /nfs/dbraw/zinc/48/43/46/661484346.db2.gz GSMCPAIOUMHDHG-UHFFFAOYSA-N 2 1 313.367 3.391 20 0 DGADMP Nc1cc[nH+]c2c1C[N@@H+](CC1CCC(C(F)(F)F)CC1)CC2 ZINC000931518033 661484348 /nfs/dbraw/zinc/48/43/48/661484348.db2.gz GSMCPAIOUMHDHG-UHFFFAOYSA-N 2 1 313.367 3.391 20 0 DGADMP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931650055 661495466 /nfs/dbraw/zinc/49/54/66/661495466.db2.gz FGYFNUQUXRUUKW-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931650055 661495467 /nfs/dbraw/zinc/49/54/67/661495467.db2.gz FGYFNUQUXRUUKW-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931918567 661522008 /nfs/dbraw/zinc/52/20/08/661522008.db2.gz VOQXVTPNKHZZRC-CHWSQXEVSA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931918567 661522010 /nfs/dbraw/zinc/52/20/10/661522010.db2.gz VOQXVTPNKHZZRC-CHWSQXEVSA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931918567 661522012 /nfs/dbraw/zinc/52/20/12/661522012.db2.gz VOQXVTPNKHZZRC-CHWSQXEVSA-N 2 1 308.363 3.227 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213003 661549928 /nfs/dbraw/zinc/54/99/28/661549928.db2.gz MOSMXXAHDXBDEA-QGZVFWFLSA-N 2 1 311.429 3.389 20 0 DGADMP Cc1csc(C[C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000933129406 661618866 /nfs/dbraw/zinc/61/88/66/661618866.db2.gz JGKFQRBNALGQML-CVEARBPZSA-N 2 1 307.507 3.190 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(Cl)cc2c1OCC2 ZINC000933272810 661627375 /nfs/dbraw/zinc/62/73/75/661627375.db2.gz LQMTVTFVHXQKEO-LBPRGKRZSA-N 2 1 319.836 3.292 20 0 DGADMP CC1=C(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+]1C(C)C ZINC000935554201 661793076 /nfs/dbraw/zinc/79/30/76/661793076.db2.gz UUFDQWIEEZHCLO-UHFFFAOYSA-N 2 1 315.461 3.117 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000075713395 661944522 /nfs/dbraw/zinc/94/45/22/661944522.db2.gz KSVXRLDJRDQYFN-SFHVURJKSA-N 2 1 324.896 3.426 20 0 DGADMP CCC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000190282024 662026108 /nfs/dbraw/zinc/02/61/08/662026108.db2.gz SGUZESSWGLWVFD-UYAOXDASSA-N 2 1 314.473 3.342 20 0 DGADMP c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000078974102 662093125 /nfs/dbraw/zinc/09/31/25/662093125.db2.gz LTISOUGZWPHBQU-VQTJNVASSA-N 2 1 313.489 3.393 20 0 DGADMP c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000078974102 662093126 /nfs/dbraw/zinc/09/31/26/662093126.db2.gz LTISOUGZWPHBQU-VQTJNVASSA-N 2 1 313.489 3.393 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCOC1CCC1 ZINC000080205732 662133331 /nfs/dbraw/zinc/13/33/31/662133331.db2.gz NITGLKFGZGGVIH-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398118889 685234978 /nfs/dbraw/zinc/23/49/78/685234978.db2.gz GPGRYOGXQBPSDU-RDTXWAMCSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)s1 ZINC000398118889 685234982 /nfs/dbraw/zinc/23/49/82/685234982.db2.gz GPGRYOGXQBPSDU-RDTXWAMCSA-N 2 1 315.486 3.452 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H]2CCC[NH2+][C@@H]21 ZINC001576487490 1191828401 /nfs/dbraw/zinc/82/84/01/1191828401.db2.gz BEMYSRFRJOONQS-RYQLBKOJSA-N 2 1 314.473 3.266 20 0 DGADMP C[C@]1(Cc2cc(F)c(F)c(F)c2)CCC[N@H+]1CCC1C[NH2+]C1 ZINC001576524746 1191839797 /nfs/dbraw/zinc/83/97/97/1191839797.db2.gz VRLQRIUWUMCZIN-QGZVFWFLSA-N 2 1 312.379 3.110 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+]CC(F)(F)c2ccc(F)cc2F)CC[NH2+]1 ZINC001576598059 1191850024 /nfs/dbraw/zinc/85/00/24/1191850024.db2.gz KDKANEDWWCXWOJ-GHMZBOCLSA-N 2 1 304.331 3.034 20 0 DGADMP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001576669465 1191860848 /nfs/dbraw/zinc/86/08/48/1191860848.db2.gz QNGIFGNZWOHWON-AUUYWEPGSA-N 2 1 311.429 3.335 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C[C@H]1C[NH3+] ZINC001576735240 1191866130 /nfs/dbraw/zinc/86/61/30/1191866130.db2.gz YBYHTSQGZUNLIR-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC2(CCCCC2)O1 ZINC001576808510 1191870067 /nfs/dbraw/zinc/87/00/67/1191870067.db2.gz DKIMTBSKZPVNMJ-INIZCTEOSA-N 2 1 314.473 3.256 20 0 DGADMP CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CC[NH2+]CC1 ZINC001577734013 1191914433 /nfs/dbraw/zinc/91/44/33/1191914433.db2.gz BIYCDHLRXUHQSJ-UHFFFAOYSA-N 2 1 303.381 3.055 20 0 DGADMP CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CC[NH2+]CC1 ZINC001577734013 1191914436 /nfs/dbraw/zinc/91/44/36/1191914436.db2.gz BIYCDHLRXUHQSJ-UHFFFAOYSA-N 2 1 303.381 3.055 20 0 DGADMP COCC1(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCC1 ZINC001578981334 1191964162 /nfs/dbraw/zinc/96/41/62/1191964162.db2.gz DDWGAQKCKIRHBK-WMZOPIPTSA-N 2 1 308.510 3.423 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)o1 ZINC001579091630 1191966755 /nfs/dbraw/zinc/96/67/55/1191966755.db2.gz XTQRZIYIUOVMII-ZOBUZTSGSA-N 2 1 306.450 3.328 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)c1 ZINC001579273685 1191971672 /nfs/dbraw/zinc/97/16/72/1191971672.db2.gz AOHYKDYHUQPRHH-LJQANCHMSA-N 2 1 310.441 3.361 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC[C@H]([NH3+])CCC(C)(C)C ZINC001579475789 1191977474 /nfs/dbraw/zinc/97/74/74/1191977474.db2.gz SRRQPAPRGCTKGK-SJLPKXTDSA-N 2 1 305.510 3.250 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC001579549712 1191979503 /nfs/dbraw/zinc/97/95/03/1191979503.db2.gz AIIKDPXNPHDGNE-NEPJUHHUSA-N 2 1 315.280 3.179 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@]1(C[NH3+])CCCC[C@H]1C ZINC001579547394 1191979575 /nfs/dbraw/zinc/97/95/75/1191979575.db2.gz IAKQFZZQHRUNFS-APWZRJJASA-N 2 1 312.461 3.178 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1cc(C2C[NH2+]C2)no1 ZINC001579613764 1191982347 /nfs/dbraw/zinc/98/23/47/1191982347.db2.gz LDQOQCLWKXNBTQ-SFHVURJKSA-N 2 1 315.392 3.146 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1cc(C2C[NH2+]C2)no1 ZINC001579613764 1191982351 /nfs/dbraw/zinc/98/23/51/1191982351.db2.gz LDQOQCLWKXNBTQ-SFHVURJKSA-N 2 1 315.392 3.146 20 0 DGADMP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCC3([NH3+])CCOCC3)C2)cc1 ZINC001579677793 1191986261 /nfs/dbraw/zinc/98/62/61/1191986261.db2.gz CHKMZLRSSZAAPY-AEFFLSMTSA-N 2 1 302.462 3.071 20 0 DGADMP Cc1[nH+]cn(-c2ccc(NC(=O)C[C@H]([NH3+])CC(C)C)cc2)c1C ZINC001579883663 1191997829 /nfs/dbraw/zinc/99/78/29/1191997829.db2.gz CLIJIIPWWGHQQS-OAHLLOKOSA-N 2 1 314.433 3.191 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)n1-c1ccccc1 ZINC001579877894 1191997926 /nfs/dbraw/zinc/99/79/26/1191997926.db2.gz GPKXHBSYPSECKI-IPMKNSEASA-N 2 1 324.472 3.047 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)n1-c1ccccc1 ZINC001579877893 1191997937 /nfs/dbraw/zinc/99/79/37/1191997937.db2.gz GPKXHBSYPSECKI-GUDVDZBRSA-N 2 1 324.472 3.047 20 0 DGADMP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CCC1C[NH2+]C1 ZINC001579895733 1191998253 /nfs/dbraw/zinc/99/82/53/1191998253.db2.gz SMODKHYGUXLINW-HNNXBMFYSA-N 2 1 324.900 3.247 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001579887627 1191998339 /nfs/dbraw/zinc/99/83/39/1191998339.db2.gz GSKTXFWVKIHHDB-CQSZACIVSA-N 2 1 318.852 3.005 20 0 DGADMP Fc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)o2)cc1 ZINC001580029614 1192003511 /nfs/dbraw/zinc/00/35/11/1192003511.db2.gz ZPZAIUONUFFFQA-CABCVRRESA-N 2 1 300.377 3.127 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1)C1CCCC1 ZINC001580128395 1192008880 /nfs/dbraw/zinc/00/88/80/1192008880.db2.gz TUIADRVNWSLCBV-UHOSZYNNSA-N 2 1 324.509 3.149 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC001580337271 1192022512 /nfs/dbraw/zinc/02/25/12/1192022512.db2.gz USOFZXMYPRXMBW-LJQANCHMSA-N 2 1 323.440 3.071 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](c2ccccc2)C1 ZINC001580880763 1192043582 /nfs/dbraw/zinc/04/35/82/1192043582.db2.gz XTOIDGFIZQVPFS-CTNGQTDRSA-N 2 1 322.452 3.030 20 0 DGADMP c1ccc(CCCn2c3ccccc3[nH+]c2NCC2C[NH2+]C2)cc1 ZINC001580892807 1192044781 /nfs/dbraw/zinc/04/47/81/1192044781.db2.gz HUPMAJFEFDHROE-UHFFFAOYSA-N 2 1 320.440 3.300 20 0 DGADMP Cc1cccn2c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cnc12 ZINC001620828370 1192257418 /nfs/dbraw/zinc/25/74/18/1192257418.db2.gz PXLPBIDCSAUOJN-UHFFFAOYSA-N 2 1 312.461 3.139 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001620828656 1192259667 /nfs/dbraw/zinc/25/96/67/1192259667.db2.gz YPMYTVPHMBGBGJ-UHFFFAOYSA-N 2 1 312.461 3.139 20 0 DGADMP CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)n1 ZINC001620868614 1192492428 /nfs/dbraw/zinc/49/24/28/1192492428.db2.gz JRFZDUQBNRIPAU-QGZVFWFLSA-N 2 1 306.498 3.059 20 0 DGADMP CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC001620868614 1192492429 /nfs/dbraw/zinc/49/24/29/1192492429.db2.gz JRFZDUQBNRIPAU-QGZVFWFLSA-N 2 1 306.498 3.059 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC001620890326 1192557924 /nfs/dbraw/zinc/55/79/24/1192557924.db2.gz IMTNLGFOFVQMRW-NVXWUHKLSA-N 2 1 312.461 3.396 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001664617253 1197021931 /nfs/dbraw/zinc/02/19/31/1197021931.db2.gz BMUIZZYEVKTZLO-PBHICJAKSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001664617253 1197021936 /nfs/dbraw/zinc/02/19/36/1197021936.db2.gz BMUIZZYEVKTZLO-PBHICJAKSA-N 2 1 308.491 3.059 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(C)n1 ZINC001620897674 1192562790 /nfs/dbraw/zinc/56/27/90/1192562790.db2.gz RLPRHZRZXVCHKP-FUHWJXTLSA-N 2 1 301.478 3.441 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cc(F)c(F)c(F)c1)[NH+]1CCCCC1 ZINC001620898377 1192563450 /nfs/dbraw/zinc/56/34/50/1192563450.db2.gz RLCRQYIPFSJPQC-LBPRGKRZSA-N 2 1 300.368 3.458 20 0 DGADMP CC(C)[C@H](CCO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080205460 1197045517 /nfs/dbraw/zinc/04/55/17/1197045517.db2.gz IWCHZENSYFBZPS-SFHVURJKSA-N 2 1 306.494 3.141 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001665624275 1197160604 /nfs/dbraw/zinc/16/06/04/1197160604.db2.gz VMCRZQUBZJLNHS-JKIFEVAISA-N 2 1 312.885 3.388 20 0 DGADMP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000080524604 1176745910 /nfs/dbraw/zinc/74/59/10/1176745910.db2.gz UPKHPIAZNHEVJX-KRWDZBQOSA-N 2 1 304.478 3.039 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338342720 1177751237 /nfs/dbraw/zinc/75/12/37/1177751237.db2.gz LDYICVYWUXOZDA-KRWDZBQOSA-N 2 1 317.408 3.264 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338342720 1177751245 /nfs/dbraw/zinc/75/12/45/1177751245.db2.gz LDYICVYWUXOZDA-KRWDZBQOSA-N 2 1 317.408 3.264 20 0 DGADMP CC(C)n1ncc2c1[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277465 1178172014 /nfs/dbraw/zinc/17/20/14/1178172014.db2.gz MSEPLJBJGFWPNC-CVEARBPZSA-N 2 1 304.482 3.304 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277465 1178172027 /nfs/dbraw/zinc/17/20/27/1178172027.db2.gz MSEPLJBJGFWPNC-CVEARBPZSA-N 2 1 304.482 3.304 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC001332399199 1178436067 /nfs/dbraw/zinc/43/60/67/1178436067.db2.gz BMOGYKVEVGRZFD-INIZCTEOSA-N 2 1 321.534 3.135 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001333481882 1178612917 /nfs/dbraw/zinc/61/29/17/1178612917.db2.gz FFMVHTYHUYHHIZ-FVQHAEBGSA-N 2 1 307.482 3.361 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001333481882 1178612919 /nfs/dbraw/zinc/61/29/19/1178612919.db2.gz FFMVHTYHUYHHIZ-FVQHAEBGSA-N 2 1 307.482 3.361 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001333481882 1178612921 /nfs/dbraw/zinc/61/29/21/1178612921.db2.gz FFMVHTYHUYHHIZ-FVQHAEBGSA-N 2 1 307.482 3.361 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001333627944 1178642112 /nfs/dbraw/zinc/64/21/12/1178642112.db2.gz ASRNULRNHRDVCH-WOJBJXKFSA-N 2 1 316.489 3.428 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001333627939 1178642145 /nfs/dbraw/zinc/64/21/45/1178642145.db2.gz ASRNULRNHRDVCH-PMACEKPBSA-N 2 1 316.489 3.428 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(Cl)c(F)c3)C[C@H]2C1 ZINC001333893000 1178691575 /nfs/dbraw/zinc/69/15/75/1178691575.db2.gz WHTAWSDRCSFQJF-MGPQQGTHSA-N 2 1 311.832 3.036 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001334107621 1178721838 /nfs/dbraw/zinc/72/18/38/1178721838.db2.gz FUAVQGOOGQBUPO-GOSISDBHSA-N 2 1 315.461 3.094 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2C1 ZINC001334355255 1178753612 /nfs/dbraw/zinc/75/36/12/1178753612.db2.gz BAXSUFJGYOQNOX-GUDVDZBRSA-N 2 1 309.457 3.397 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)CC1(C)C ZINC001334901871 1178825880 /nfs/dbraw/zinc/82/58/80/1178825880.db2.gz IIDPFYBXJVTSDG-SUMWQHHRSA-N 2 1 310.869 3.010 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC001335133061 1178858973 /nfs/dbraw/zinc/85/89/73/1178858973.db2.gz CZIHTLOHECPQQG-JENIJYKNSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)C[C@H]2C1 ZINC001335150591 1178861186 /nfs/dbraw/zinc/86/11/86/1178861186.db2.gz RNUKYRLUYUQPPK-GUDVDZBRSA-N 2 1 314.473 3.174 20 0 DGADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC001335254851 1178878159 /nfs/dbraw/zinc/87/81/59/1178878159.db2.gz LJNQQAGYJVCHIC-DQXYTYHJSA-N 2 1 318.436 3.261 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1Br ZINC001335441730 1178911837 /nfs/dbraw/zinc/91/18/37/1178911837.db2.gz RJDHYEBULKUTOQ-QWHCGFSZSA-N 2 1 324.266 3.073 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2C1 ZINC001335581151 1178932682 /nfs/dbraw/zinc/93/26/82/1178932682.db2.gz BUZPKMFCHQWORD-QWFCFKBJSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC001343332699 1179257933 /nfs/dbraw/zinc/25/79/33/1179257933.db2.gz HSFUINUOODWZFX-HRCADAONSA-N 2 1 324.415 3.450 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001344567979 1179451941 /nfs/dbraw/zinc/45/19/41/1179451941.db2.gz PNMDEUZKPAVWLS-UHFFFAOYSA-N 2 1 308.853 3.108 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC001345605954 1179578241 /nfs/dbraw/zinc/57/82/41/1179578241.db2.gz MOSZCBAOHLIDNJ-CVEARBPZSA-N 2 1 323.868 3.131 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC001349326356 1179892356 /nfs/dbraw/zinc/89/23/56/1179892356.db2.gz XENNKQBMHLNOTJ-HNNXBMFYSA-N 2 1 322.522 3.003 20 0 DGADMP Cn1c(C[N@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc2ccccc21 ZINC001352112027 1180297607 /nfs/dbraw/zinc/29/76/07/1180297607.db2.gz LAJLQPVLYJSWFS-KZNAEPCWSA-N 2 1 311.473 3.340 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001352178313 1180306029 /nfs/dbraw/zinc/30/60/29/1180306029.db2.gz LFRSDZNTOYRXLI-MAUKXSAKSA-N 2 1 304.482 3.146 20 0 DGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(OC)CCC1 ZINC001352826881 1180406675 /nfs/dbraw/zinc/40/66/75/1180406675.db2.gz XJRHUZDWAIHIBU-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001200526323 1180700605 /nfs/dbraw/zinc/70/06/05/1180700605.db2.gz OXQHEMQTUTWFIW-HXUWFJFHSA-N 2 1 318.505 3.212 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC001354206330 1180745140 /nfs/dbraw/zinc/74/51/40/1180745140.db2.gz YKLRWIYDCCMGNY-CVEARBPZSA-N 2 1 304.478 3.297 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC001200715202 1180847545 /nfs/dbraw/zinc/84/75/45/1180847545.db2.gz RLXUCRBGEUZFNB-UHFFFAOYSA-N 2 1 315.446 3.213 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001434541121 1181774867 /nfs/dbraw/zinc/77/48/67/1181774867.db2.gz UIHPTDNMLNXFGJ-UHFFFAOYSA-N 2 1 319.424 3.099 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001434541121 1181774876 /nfs/dbraw/zinc/77/48/76/1181774876.db2.gz UIHPTDNMLNXFGJ-UHFFFAOYSA-N 2 1 319.424 3.099 20 0 DGADMP [NH3+][C@H](C[NH2+]CC1(c2ccc(F)cc2Cl)CC1)CC(F)(F)F ZINC001580131895 1182022346 /nfs/dbraw/zinc/02/23/46/1182022346.db2.gz IHWMQEFZXKMAAC-JTQLQIEISA-N 2 1 324.749 3.380 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523849 1182592074 /nfs/dbraw/zinc/59/20/74/1182592074.db2.gz UONLSYMCDBQLDU-CABCVRRESA-N 2 1 322.415 3.499 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523849 1182592079 /nfs/dbraw/zinc/59/20/79/1182592079.db2.gz UONLSYMCDBQLDU-CABCVRRESA-N 2 1 322.415 3.499 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOC(F)(F)F)C1 ZINC001459523849 1182592080 /nfs/dbraw/zinc/59/20/80/1182592080.db2.gz UONLSYMCDBQLDU-CABCVRRESA-N 2 1 322.415 3.499 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOC(F)(F)F)C1 ZINC001459523849 1182592086 /nfs/dbraw/zinc/59/20/86/1182592086.db2.gz UONLSYMCDBQLDU-CABCVRRESA-N 2 1 322.415 3.499 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC(C)(C)C1 ZINC001459819916 1182619248 /nfs/dbraw/zinc/61/92/48/1182619248.db2.gz OKPDAJQGYJHYHD-QGZVFWFLSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC(C)(C)C1 ZINC001459819916 1182619251 /nfs/dbraw/zinc/61/92/51/1182619251.db2.gz OKPDAJQGYJHYHD-QGZVFWFLSA-N 2 1 316.489 3.387 20 0 DGADMP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC001459930418 1182631449 /nfs/dbraw/zinc/63/14/49/1182631449.db2.gz GDWPCYWKIVFVNW-HZPDHXFCSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001459930418 1182631455 /nfs/dbraw/zinc/63/14/55/1182631455.db2.gz GDWPCYWKIVFVNW-HZPDHXFCSA-N 2 1 317.477 3.223 20 0 DGADMP Cc1cccc([C@@H](O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001460670259 1182706415 /nfs/dbraw/zinc/70/64/15/1182706415.db2.gz GGNVSVVELXCSFH-FQEVSTJZSA-N 2 1 318.505 3.328 20 0 DGADMP C[C@@H]1C[N@@H+](CCCN(C)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001460709385 1182710748 /nfs/dbraw/zinc/71/07/48/1182710748.db2.gz MZXGWZODABRSEV-GOSISDBHSA-N 2 1 324.472 3.119 20 0 DGADMP C[C@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746628 1182716103 /nfs/dbraw/zinc/71/61/03/1182716103.db2.gz JECFSHVIZFBADM-NBYUQASBSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746628 1182716108 /nfs/dbraw/zinc/71/61/08/1182716108.db2.gz JECFSHVIZFBADM-NBYUQASBSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746628 1182716111 /nfs/dbraw/zinc/71/61/11/1182716111.db2.gz JECFSHVIZFBADM-NBYUQASBSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@](CO)([NH2+]CCC[NH+]2CCCCC2)c2ccccc21 ZINC001460952276 1182746109 /nfs/dbraw/zinc/74/61/09/1182746109.db2.gz UMYCJJRYZUDMAE-YLJYHZDGSA-N 2 1 316.489 3.237 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC001461004083 1182754523 /nfs/dbraw/zinc/75/45/23/1182754523.db2.gz FYICZSXIRWXCLM-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)c2c(n1)CCCC2 ZINC001461004059 1182755047 /nfs/dbraw/zinc/75/50/47/1182755047.db2.gz FULPYXZUBRDQJJ-UHFFFAOYSA-N 2 1 301.478 3.234 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001461423119 1182811098 /nfs/dbraw/zinc/81/10/98/1182811098.db2.gz FQNVEHKTQDUFGB-UHFFFAOYSA-N 2 1 320.525 3.467 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC001461567568 1182828778 /nfs/dbraw/zinc/82/87/78/1182828778.db2.gz INSYPFMAUOTRJZ-INIZCTEOSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC001461567568 1182828783 /nfs/dbraw/zinc/82/87/83/1182828783.db2.gz INSYPFMAUOTRJZ-INIZCTEOSA-N 2 1 304.478 3.480 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001461586205 1182832187 /nfs/dbraw/zinc/83/21/87/1182832187.db2.gz QHFTWNPHXRZMLF-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001461586205 1182832193 /nfs/dbraw/zinc/83/21/93/1182832193.db2.gz QHFTWNPHXRZMLF-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP CCn1cc(C[NH2+]CCC[N@H+](CC)C2CCCCC2)c(C)n1 ZINC001461615698 1182834963 /nfs/dbraw/zinc/83/49/63/1182834963.db2.gz LOPLZPVAWTYTOW-UHFFFAOYSA-N 2 1 306.498 3.346 20 0 DGADMP CCn1cc(C[NH2+]CCC[N@@H+](CC)C2CCCCC2)c(C)n1 ZINC001461615698 1182834974 /nfs/dbraw/zinc/83/49/74/1182834974.db2.gz LOPLZPVAWTYTOW-UHFFFAOYSA-N 2 1 306.498 3.346 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CCc2ccccc2CC1 ZINC001461652746 1182837935 /nfs/dbraw/zinc/83/79/35/1182837935.db2.gz MHSCDMLTXOIKIC-UHFFFAOYSA-N 2 1 309.457 3.432 20 0 DGADMP CCOc1c(Cl)cccc1CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001461827257 1182863030 /nfs/dbraw/zinc/86/30/30/1182863030.db2.gz GMRPYRDBHXPSOJ-IIAWOOMASA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001461827257 1182863037 /nfs/dbraw/zinc/86/30/37/1182863037.db2.gz GMRPYRDBHXPSOJ-IIAWOOMASA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001461827257 1182863042 /nfs/dbraw/zinc/86/30/42/1182863042.db2.gz GMRPYRDBHXPSOJ-IIAWOOMASA-N 2 1 308.853 3.169 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC001461830754 1182865540 /nfs/dbraw/zinc/86/55/40/1182865540.db2.gz OOTSMMGTPMNPPR-PWIZWCRZSA-N 2 1 314.473 3.438 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)ccc2O1 ZINC001462155755 1182916691 /nfs/dbraw/zinc/91/66/91/1182916691.db2.gz OMCPYRSZNQTQNN-MRXNPFEDSA-N 2 1 314.473 3.318 20 0 DGADMP CC(C)C[N@H+](Cc1ccc(O)c(F)c1)CC1CC[NH+](C)CC1 ZINC001462522774 1182963172 /nfs/dbraw/zinc/96/31/72/1182963172.db2.gz HLERPZOBVFHIIZ-UHFFFAOYSA-N 2 1 308.441 3.331 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC001473174337 1183724354 /nfs/dbraw/zinc/72/43/54/1183724354.db2.gz SVRMFASLJZHLNY-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H](C)C1 ZINC001473406192 1183753810 /nfs/dbraw/zinc/75/38/10/1183753810.db2.gz FSIWMFFABHYJJA-GJZGRUSLSA-N 2 1 324.431 3.446 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@]12C[C@@H]1CCCC2 ZINC001473711595 1183792330 /nfs/dbraw/zinc/79/23/30/1183792330.db2.gz UGLDGAZFRRRURF-FRYIKTPZSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@]12C[C@@H]1CCCC2 ZINC001473711595 1183792331 /nfs/dbraw/zinc/79/23/31/1183792331.db2.gz UGLDGAZFRRRURF-FRYIKTPZSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC001474078522 1183862462 /nfs/dbraw/zinc/86/24/62/1183862462.db2.gz NONOWJKLSOBCCV-INIZCTEOSA-N 2 1 302.462 3.079 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC001474078522 1183862464 /nfs/dbraw/zinc/86/24/64/1183862464.db2.gz NONOWJKLSOBCCV-INIZCTEOSA-N 2 1 302.462 3.079 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC001474078523 1183862790 /nfs/dbraw/zinc/86/27/90/1183862790.db2.gz NONOWJKLSOBCCV-MRXNPFEDSA-N 2 1 302.462 3.079 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC001474078523 1183862792 /nfs/dbraw/zinc/86/27/92/1183862792.db2.gz NONOWJKLSOBCCV-MRXNPFEDSA-N 2 1 302.462 3.079 20 0 DGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@@H]34)ccc2c1 ZINC001474302651 1183900922 /nfs/dbraw/zinc/90/09/22/1183900922.db2.gz CFLFGDMLMGODGW-MISYRCLQSA-N 2 1 310.441 3.278 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC001474319628 1183903298 /nfs/dbraw/zinc/90/32/98/1183903298.db2.gz YZLYNLXNRNBRSI-KBXCAEBGSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC001474319628 1183903303 /nfs/dbraw/zinc/90/33/03/1183903303.db2.gz YZLYNLXNRNBRSI-KBXCAEBGSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC001474319628 1183903309 /nfs/dbraw/zinc/90/33/09/1183903309.db2.gz YZLYNLXNRNBRSI-KBXCAEBGSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC001474319628 1183903315 /nfs/dbraw/zinc/90/33/15/1183903315.db2.gz YZLYNLXNRNBRSI-KBXCAEBGSA-N 2 1 308.441 3.387 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSc2ccc(OC)cc2)[C@@H](C)C1 ZINC001474319616 1183903809 /nfs/dbraw/zinc/90/38/09/1183903809.db2.gz YRCXSQLHFXVNMN-MAUKXSAKSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSc2ccc(OC)cc2)[C@@H](C)C1 ZINC001474319616 1183903811 /nfs/dbraw/zinc/90/38/11/1183903811.db2.gz YRCXSQLHFXVNMN-MAUKXSAKSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC001474375161 1183911771 /nfs/dbraw/zinc/91/17/71/1183911771.db2.gz OZMCEFOBQJHARQ-HXUWFJFHSA-N 2 1 316.489 3.090 20 0 DGADMP CCC[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001474380932 1183913169 /nfs/dbraw/zinc/91/31/69/1183913169.db2.gz HHJXNUSMAMKUNC-MOPGFXCFSA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001474380932 1183913171 /nfs/dbraw/zinc/91/31/71/1183913171.db2.gz HHJXNUSMAMKUNC-MOPGFXCFSA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001474380932 1183913173 /nfs/dbraw/zinc/91/31/73/1183913173.db2.gz HHJXNUSMAMKUNC-MOPGFXCFSA-N 2 1 304.478 3.255 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001474686073 1183961855 /nfs/dbraw/zinc/96/18/55/1183961855.db2.gz KYGKBCGNRBISRE-SFHVURJKSA-N 2 1 309.457 3.452 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(OC4CCCC4)CC3)[C@H]2C1 ZINC001474756328 1183973730 /nfs/dbraw/zinc/97/37/30/1183973730.db2.gz CLIDDNVYLUPPDZ-QJMPEHJUSA-N 2 1 306.494 3.187 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001479627378 1184278478 /nfs/dbraw/zinc/27/84/78/1184278478.db2.gz XVOMFGZZUYOLAN-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001480350680 1184502151 /nfs/dbraw/zinc/50/21/51/1184502151.db2.gz BJNUEEUKULGCJJ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001495461882 1185058266 /nfs/dbraw/zinc/05/82/66/1185058266.db2.gz GDEZRDFJQQFYJJ-WKILWMFISA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505637442 1186117139 /nfs/dbraw/zinc/11/71/39/1186117139.db2.gz KACXYRUZMAAAJK-JKSUJKDBSA-N 2 1 323.525 3.088 20 0 DGADMP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001506533234 1186240913 /nfs/dbraw/zinc/24/09/13/1186240913.db2.gz BICUGPWXVBCEAD-SJLPKXTDSA-N 2 1 323.525 3.066 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC3CC[NH+](C4CCCC4)CC3)c12 ZINC001612074042 1193446148 /nfs/dbraw/zinc/44/61/48/1193446148.db2.gz UHTWFTPKXPQVHE-UHFFFAOYSA-N 2 1 313.449 3.339 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC001549087392 1188492970 /nfs/dbraw/zinc/49/29/70/1188492970.db2.gz IKKXTLBHQONYKI-MAUKXSAKSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccccc3)s1)C2 ZINC001549087392 1188492972 /nfs/dbraw/zinc/49/29/72/1188492972.db2.gz IKKXTLBHQONYKI-MAUKXSAKSA-N 2 1 313.470 3.371 20 0 DGADMP Cc1nc2ccc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)cc2s1 ZINC001549088043 1188493822 /nfs/dbraw/zinc/49/38/22/1188493822.db2.gz DKTLLJSYHKYIJC-RHSMWYFYSA-N 2 1 301.459 3.166 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC001549088278 1188493863 /nfs/dbraw/zinc/49/38/63/1188493863.db2.gz JQMANNLXWPHSMO-KBXCAEBGSA-N 2 1 315.848 3.449 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@H]2CCCc3ncccc32)[C@@H](c2ccccc2)C1 ZINC001549774525 1188540363 /nfs/dbraw/zinc/54/03/63/1188540363.db2.gz FNKKGCOIGOGTBX-DSKINZAPSA-N 2 1 321.468 3.394 20 0 DGADMP c1c[nH]c([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC001550133571 1188584224 /nfs/dbraw/zinc/58/42/24/1188584224.db2.gz SEVFZUYDSVWLQI-IBGZPJMESA-N 2 1 324.472 3.385 20 0 DGADMP FC1(F)[C@H](C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC001550348770 1188608140 /nfs/dbraw/zinc/60/81/40/1188608140.db2.gz FHJDLXYJRAUIBS-XMTFNYHQSA-N 2 1 320.427 3.357 20 0 DGADMP CC[C@H](C)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC001550350640 1188609153 /nfs/dbraw/zinc/60/91/53/1188609153.db2.gz FMJFOXAOWMCUHY-LBVZWDRHSA-N 2 1 322.537 3.271 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3ccccc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550355213 1188610276 /nfs/dbraw/zinc/61/02/76/1188610276.db2.gz QJHWEJWOQAQRKX-PKOFMYQESA-N 2 1 316.489 3.207 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+]CC1CCCCCC1)[C@@H](O)C2 ZINC001550421902 1188614495 /nfs/dbraw/zinc/61/44/95/1188614495.db2.gz ICMQVHPMWUQLTI-XWSJACJDSA-N 2 1 308.510 3.026 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3sccc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423844 1188614898 /nfs/dbraw/zinc/61/48/98/1188614898.db2.gz SSPFCFSKCATATA-ATLSCFEFSA-N 2 1 322.518 3.016 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1)C1CCCC1 ZINC001550437394 1188615922 /nfs/dbraw/zinc/61/59/22/1188615922.db2.gz GQULHHCQKVQVBC-DBVUQKKJSA-N 2 1 316.489 3.340 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]C3CC4(C3)CCCC4)C2)[C@H]1C(C)C ZINC001550521267 1188618619 /nfs/dbraw/zinc/61/86/19/1188618619.db2.gz CZMKFWAYUQDTDD-GNBUJSLZSA-N 2 1 320.521 3.169 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)nc4ccccc34)C[C@@H]2C1 ZINC001550543284 1188622016 /nfs/dbraw/zinc/62/20/16/1188622016.db2.gz LJJBCUUTGRHSPZ-ZFWWWQNUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)nc4ccccc34)C[C@@H]2C1 ZINC001550543284 1188622017 /nfs/dbraw/zinc/62/20/17/1188622017.db2.gz LJJBCUUTGRHSPZ-ZFWWWQNUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)nc4ccccc34)C[C@@H]2C1 ZINC001550543284 1188622018 /nfs/dbraw/zinc/62/20/18/1188622018.db2.gz LJJBCUUTGRHSPZ-ZFWWWQNUSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)nc4ccccc34)C[C@H]2C1 ZINC001550543283 1188622043 /nfs/dbraw/zinc/62/20/43/1188622043.db2.gz LJJBCUUTGRHSPZ-UKRRQHHQSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)nc4ccccc34)C[C@H]2C1 ZINC001550543283 1188622044 /nfs/dbraw/zinc/62/20/44/1188622044.db2.gz LJJBCUUTGRHSPZ-UKRRQHHQSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)nc4ccccc34)C[C@H]2C1 ZINC001550543283 1188622045 /nfs/dbraw/zinc/62/20/45/1188622045.db2.gz LJJBCUUTGRHSPZ-UKRRQHHQSA-N 2 1 315.848 3.272 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540841 1188622204 /nfs/dbraw/zinc/62/22/04/1188622204.db2.gz LUVFUJKVHCWZEJ-UKRRQHHQSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540841 1188622208 /nfs/dbraw/zinc/62/22/08/1188622208.db2.gz LUVFUJKVHCWZEJ-UKRRQHHQSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540841 1188622211 /nfs/dbraw/zinc/62/22/11/1188622211.db2.gz LUVFUJKVHCWZEJ-UKRRQHHQSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540841 1188622217 /nfs/dbraw/zinc/62/22/17/1188622217.db2.gz LUVFUJKVHCWZEJ-UKRRQHHQSA-N 2 1 317.458 3.095 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)C[C@@H]2C1 ZINC001550540532 1188622573 /nfs/dbraw/zinc/62/25/73/1188622573.db2.gz GETSAMOXLZBNNV-GJZGRUSLSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)C[C@@H]2C1 ZINC001550540532 1188622575 /nfs/dbraw/zinc/62/25/75/1188622575.db2.gz GETSAMOXLZBNNV-GJZGRUSLSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@@H]2C1 ZINC001550540532 1188622576 /nfs/dbraw/zinc/62/25/76/1188622576.db2.gz GETSAMOXLZBNNV-GJZGRUSLSA-N 2 1 315.848 3.272 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543234 1188622609 /nfs/dbraw/zinc/62/26/09/1188622609.db2.gz JTWRMFJSJYUOPU-RDJZCZTQSA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543234 1188622610 /nfs/dbraw/zinc/62/26/10/1188622610.db2.gz JTWRMFJSJYUOPU-RDJZCZTQSA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550543234 1188622613 /nfs/dbraw/zinc/62/26/13/1188622613.db2.gz JTWRMFJSJYUOPU-RDJZCZTQSA-N 2 1 301.478 3.151 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CC(F)(F)CO2)C1)C1CCCC1 ZINC001550702196 1188642269 /nfs/dbraw/zinc/64/22/69/1188642269.db2.gz JBYGMWQPRQTTAZ-CWRNSKLLSA-N 2 1 316.436 3.030 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001551263577 1188723030 /nfs/dbraw/zinc/72/30/30/1188723030.db2.gz XLBQKLFWSUPCOW-LZWOXQAQSA-N 2 1 307.869 3.206 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3F)C[C@@H]2C1 ZINC001551263491 1188723513 /nfs/dbraw/zinc/72/35/13/1188723513.db2.gz WPVCZQNIFRYINN-FPMFFAJLSA-N 2 1 311.832 3.036 20 0 DGADMP CCO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080815 1188816886 /nfs/dbraw/zinc/81/68/86/1188816886.db2.gz IZNVKTVAGYIZKV-FCGDIQPGSA-N 2 1 302.462 3.417 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001552154568 1188820468 /nfs/dbraw/zinc/82/04/68/1188820468.db2.gz LYXWXQCTRMNGMC-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[C@H]1O ZINC001552286888 1188830114 /nfs/dbraw/zinc/83/01/14/1188830114.db2.gz WTBOEOYLVWCRSM-RBUKOAKNSA-N 2 1 302.462 3.018 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[C@]34CCCO4)CC[NH2+]2)cc1 ZINC001552311897 1188835796 /nfs/dbraw/zinc/83/57/96/1188835796.db2.gz ASZNFBLJUFCLQQ-XWSJACJDSA-N 2 1 300.446 3.171 20 0 DGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001553026277 1188891370 /nfs/dbraw/zinc/89/13/70/1188891370.db2.gz WSHHTADQELRBJW-CYGHRXIMSA-N 2 1 300.446 3.185 20 0 DGADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+](CC)CC ZINC001557982939 1189096073 /nfs/dbraw/zinc/09/60/73/1189096073.db2.gz WWIMCNMJIVVGPX-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP OC[C@@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001559954260 1189261722 /nfs/dbraw/zinc/26/17/22/1189261722.db2.gz PQKGDMWURNFTSH-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2Cl)CCN1c1cc[nH+]cc1 ZINC001560108750 1189279493 /nfs/dbraw/zinc/27/94/93/1189279493.db2.gz KUUXCOAFNIJDGZ-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCN1c1cc[nH+]cc1 ZINC001560108750 1189279499 /nfs/dbraw/zinc/27/94/99/1189279499.db2.gz KUUXCOAFNIJDGZ-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001560248165 1189299161 /nfs/dbraw/zinc/29/91/61/1189299161.db2.gz CPDTUKGBELSDTI-UHFFFAOYSA-N 2 1 314.433 3.090 20 0 DGADMP CC[NH+]1CCC(NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001560248036 1189299304 /nfs/dbraw/zinc/29/93/04/1189299304.db2.gz URBMWPRHWXRYPT-UHFFFAOYSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn2ccccc12 ZINC001560267983 1189301917 /nfs/dbraw/zinc/30/19/17/1189301917.db2.gz OAZXJTYYCVPVHG-UHFFFAOYSA-N 2 1 322.456 3.464 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc3c2OCC3)C1 ZINC001560269629 1189303319 /nfs/dbraw/zinc/30/33/19/1189303319.db2.gz KOCXECIMEDDKJM-CALCHBBNSA-N 2 1 316.489 3.469 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC001560319860 1189310874 /nfs/dbraw/zinc/31/08/74/1189310874.db2.gz BLGAFKPLCQDRNN-SFHVURJKSA-N 2 1 309.542 3.066 20 0 DGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324611 1189311900 /nfs/dbraw/zinc/31/19/00/1189311900.db2.gz XHXIVTIBMLZDRU-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324611 1189311903 /nfs/dbraw/zinc/31/19/03/1189311903.db2.gz XHXIVTIBMLZDRU-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)c1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)on1 ZINC001560330782 1189312929 /nfs/dbraw/zinc/31/29/29/1189312929.db2.gz ZIKFBOGLFMSVJT-UHFFFAOYSA-N 2 1 317.433 3.028 20 0 DGADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001560413122 1189325666 /nfs/dbraw/zinc/32/56/66/1189325666.db2.gz XGZMBPYSVQYGIF-NRFANRHFSA-N 2 1 324.468 3.242 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC001560436330 1189328530 /nfs/dbraw/zinc/32/85/30/1189328530.db2.gz BLFYNQPTIJZDFE-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001560438247 1189329483 /nfs/dbraw/zinc/32/94/83/1189329483.db2.gz PHNZCRKNUYFIIJ-SFHVURJKSA-N 2 1 318.505 3.476 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001560546618 1189339248 /nfs/dbraw/zinc/33/92/48/1189339248.db2.gz BTUPJXWGGSHBTA-ZDUSSCGKSA-N 2 1 320.868 3.264 20 0 DGADMP C[N@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C2CCCCCC2)CC1(C)C ZINC001560562348 1189341690 /nfs/dbraw/zinc/34/16/90/1189341690.db2.gz SPJOHGMYDRTOOC-SJLPKXTDSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1(C)C ZINC001560562348 1189341692 /nfs/dbraw/zinc/34/16/92/1189341692.db2.gz SPJOHGMYDRTOOC-SJLPKXTDSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1(C)C ZINC001560562348 1189341693 /nfs/dbraw/zinc/34/16/93/1189341693.db2.gz SPJOHGMYDRTOOC-SJLPKXTDSA-N 2 1 307.526 3.246 20 0 DGADMP CCn1c2cc(F)ccc2[nH+]c1NCc1c[nH+]ccc1N(C)C ZINC001560621746 1189349871 /nfs/dbraw/zinc/34/98/71/1189349871.db2.gz YJBQRCWXVBGNAD-UHFFFAOYSA-N 2 1 313.380 3.268 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC001560657476 1189356780 /nfs/dbraw/zinc/35/67/80/1189356780.db2.gz NZGUJQDORMRMQS-ZHALLVOQSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC001560657476 1189356783 /nfs/dbraw/zinc/35/67/83/1189356783.db2.gz NZGUJQDORMRMQS-ZHALLVOQSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC001560657476 1189356786 /nfs/dbraw/zinc/35/67/86/1189356786.db2.gz NZGUJQDORMRMQS-ZHALLVOQSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)(C)c1cccc(OCC[NH2+]C[C@@H]([NH3+])CC(F)(F)F)c1 ZINC001575277736 1191472558 /nfs/dbraw/zinc/47/25/58/1191472558.db2.gz XGQOHZXHPPJXDT-ZDUSSCGKSA-N 2 1 318.383 3.232 20 0 DGADMP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC001575544162 1191491296 /nfs/dbraw/zinc/49/12/96/1191491296.db2.gz GFTOPGBBABQNBZ-BZUAXINKSA-N 2 1 312.498 3.111 20 0 DGADMP CC(C)O[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001575740962 1191504945 /nfs/dbraw/zinc/50/49/45/1191504945.db2.gz KLCIEIUGNMDJCM-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H](NCC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240161 1191547159 /nfs/dbraw/zinc/54/71/59/1191547159.db2.gz VQDHBWQRVJUMCV-MJGOQNOKSA-N 2 1 317.521 3.122 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240161 1191547162 /nfs/dbraw/zinc/54/71/62/1191547162.db2.gz VQDHBWQRVJUMCV-MJGOQNOKSA-N 3 1 317.521 3.122 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240161 1191547166 /nfs/dbraw/zinc/54/71/66/1191547166.db2.gz VQDHBWQRVJUMCV-MJGOQNOKSA-N 3 1 317.521 3.122 20 0 DGADMP CC1(C)C[C@@H](NCC2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001576393378 1191584567 /nfs/dbraw/zinc/58/45/67/1191584567.db2.gz GWGOVHASTKQFQA-GOSISDBHSA-N 2 1 315.505 3.291 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC001576393378 1191584571 /nfs/dbraw/zinc/58/45/71/1191584571.db2.gz GWGOVHASTKQFQA-GOSISDBHSA-N 2 1 315.505 3.291 20 0 DGADMP COCC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001620588626 1193781118 /nfs/dbraw/zinc/78/11/18/1193781118.db2.gz ZEOIVJGEBOHQOJ-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001620588626 1193781122 /nfs/dbraw/zinc/78/11/22/1193781122.db2.gz ZEOIVJGEBOHQOJ-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C)c(C)c1 ZINC001620588626 1193781124 /nfs/dbraw/zinc/78/11/24/1193781124.db2.gz ZEOIVJGEBOHQOJ-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C)c(C)c1 ZINC001620588626 1193781126 /nfs/dbraw/zinc/78/11/26/1193781126.db2.gz ZEOIVJGEBOHQOJ-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001621108793 1193803406 /nfs/dbraw/zinc/80/34/06/1193803406.db2.gz YSFYGSIGGJZNOO-VHDGCEQUSA-N 2 1 310.388 3.026 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001621108793 1193803411 /nfs/dbraw/zinc/80/34/11/1193803411.db2.gz YSFYGSIGGJZNOO-VHDGCEQUSA-N 2 1 310.388 3.026 20 0 DGADMP C[N@H+](Cc1cc2c(cccc2O)s1)C[C@H]1CCC[NH+](C)C1 ZINC001621138920 1193807441 /nfs/dbraw/zinc/80/74/41/1193807441.db2.gz ULQOAUIPDXNTEJ-ZDUSSCGKSA-N 2 1 304.459 3.381 20 0 DGADMP C[NH+](Cc1cc2c(cccc2O)s1)C[C@H]1CCC[N@H+](C)C1 ZINC001621138920 1193807444 /nfs/dbraw/zinc/80/74/44/1193807444.db2.gz ULQOAUIPDXNTEJ-ZDUSSCGKSA-N 2 1 304.459 3.381 20 0 DGADMP C[NH+](Cc1cc2c(cccc2O)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC001621138920 1193807451 /nfs/dbraw/zinc/80/74/51/1193807451.db2.gz ULQOAUIPDXNTEJ-ZDUSSCGKSA-N 2 1 304.459 3.381 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001621245903 1193822401 /nfs/dbraw/zinc/82/24/01/1193822401.db2.gz ZZEPMDAIDPWMDY-AABGKKOBSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC001621387449 1193836846 /nfs/dbraw/zinc/83/68/46/1193836846.db2.gz GTNIUTXVHMVTBV-HKUYNNGSSA-N 2 1 321.553 3.494 20 0 DGADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001621545503 1193856974 /nfs/dbraw/zinc/85/69/74/1193856974.db2.gz ZWJPHCKCZXKJBY-MJGOQNOKSA-N 2 1 302.462 3.167 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001621545503 1193856976 /nfs/dbraw/zinc/85/69/76/1193856976.db2.gz ZWJPHCKCZXKJBY-MJGOQNOKSA-N 2 1 302.462 3.167 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1C ZINC001621545503 1193856979 /nfs/dbraw/zinc/85/69/79/1193856979.db2.gz ZWJPHCKCZXKJBY-MJGOQNOKSA-N 2 1 302.462 3.167 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C ZINC001621545503 1193856980 /nfs/dbraw/zinc/85/69/80/1193856980.db2.gz ZWJPHCKCZXKJBY-MJGOQNOKSA-N 2 1 302.462 3.167 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001621573863 1193861079 /nfs/dbraw/zinc/86/10/79/1193861079.db2.gz UVYHPPFTEWNVKO-AWEZNQCLSA-N 2 1 323.481 3.135 20 0 DGADMP CN(CCSc1ccc(F)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001641856491 1194875186 /nfs/dbraw/zinc/87/51/86/1194875186.db2.gz RNWRCDDWSSUVQZ-CYBMUJFWSA-N 2 1 314.445 3.331 20 0 DGADMP C[NH+](CCSc1ccc(F)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC001641856491 1194875192 /nfs/dbraw/zinc/87/51/92/1194875192.db2.gz RNWRCDDWSSUVQZ-CYBMUJFWSA-N 2 1 314.445 3.331 20 0 DGADMP C[NH+](CCSc1ccc(F)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001641856491 1194875193 /nfs/dbraw/zinc/87/51/93/1194875193.db2.gz RNWRCDDWSSUVQZ-CYBMUJFWSA-N 2 1 314.445 3.331 20 0 DGADMP C[C@H]1CC(CC[N@@H+](C)CCCN(C)CC[NH+](C)C)C[C@H](C)C1 ZINC001643311801 1195013903 /nfs/dbraw/zinc/01/39/03/1195013903.db2.gz APCQOBSUJZJGDQ-QZTJIDSGSA-N 2 1 311.558 3.264 20 0 DGADMP Cc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001643919883 1195064037 /nfs/dbraw/zinc/06/40/37/1195064037.db2.gz OXAKYXRHNIZMKO-GOSISDBHSA-N 2 1 306.494 3.297 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001645365036 1195178422 /nfs/dbraw/zinc/17/84/22/1195178422.db2.gz MQXJFPWFVHPROL-AABGKKOBSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001645365036 1195178424 /nfs/dbraw/zinc/17/84/24/1195178424.db2.gz MQXJFPWFVHPROL-AABGKKOBSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CCC[C@@H]2C)c2ccccn21 ZINC001647032560 1195241457 /nfs/dbraw/zinc/24/14/57/1195241457.db2.gz CCPJOGVLHFLRJP-HNNXBMFYSA-N 2 1 300.450 3.032 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCC[C@@H]2C)c2ccccn21 ZINC001647032560 1195241461 /nfs/dbraw/zinc/24/14/61/1195241461.db2.gz CCPJOGVLHFLRJP-HNNXBMFYSA-N 2 1 300.450 3.032 20 0 DGADMP CN(CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC001647947880 1195267500 /nfs/dbraw/zinc/26/75/00/1195267500.db2.gz YXEACOVDZLPBRN-UHFFFAOYSA-N 2 1 315.505 3.463 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1)CC1(C)CC[NH2+]CC1 ZINC000062841780 1195268556 /nfs/dbraw/zinc/26/85/56/1195268556.db2.gz PINISLQKRSAHCR-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000063917747 1195325690 /nfs/dbraw/zinc/32/56/90/1195325690.db2.gz HUYXSEGVOMPVBG-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@H]1c1cccs1 ZINC001650376605 1195361789 /nfs/dbraw/zinc/36/17/89/1195361789.db2.gz PWZKAXFXNFWMOT-INMHGKMJSA-N 2 1 308.491 3.147 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@H]1c1cccs1 ZINC001650376605 1195361793 /nfs/dbraw/zinc/36/17/93/1195361793.db2.gz PWZKAXFXNFWMOT-INMHGKMJSA-N 2 1 308.491 3.147 20 0 DGADMP Cc1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC001650764650 1195380041 /nfs/dbraw/zinc/38/00/41/1195380041.db2.gz BXWYXBJJFVUGCL-GOSISDBHSA-N 2 1 310.445 3.478 20 0 DGADMP Cc1nc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC001650764650 1195380046 /nfs/dbraw/zinc/38/00/46/1195380046.db2.gz BXWYXBJJFVUGCL-GOSISDBHSA-N 2 1 310.445 3.478 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@@H](C)O3)C[C@H]1C ZINC001651750074 1195505296 /nfs/dbraw/zinc/50/52/96/1195505296.db2.gz AAGZSCQTXRCICP-RKVPGOIHSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)C[C@H]1C ZINC001651750074 1195505302 /nfs/dbraw/zinc/50/53/02/1195505302.db2.gz AAGZSCQTXRCICP-RKVPGOIHSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)C[C@H]1C ZINC001651750074 1195505305 /nfs/dbraw/zinc/50/53/05/1195505305.db2.gz AAGZSCQTXRCICP-RKVPGOIHSA-N 2 1 302.462 3.315 20 0 DGADMP CO[C@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC001651947533 1195527390 /nfs/dbraw/zinc/52/73/90/1195527390.db2.gz TVKIAUVPMLHMFD-QFBILLFUSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC001652662038 1195634292 /nfs/dbraw/zinc/63/42/92/1195634292.db2.gz IIRNOLRYAHGHJQ-HXUWFJFHSA-N 2 1 318.505 3.360 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001652871904 1195665595 /nfs/dbraw/zinc/66/55/95/1195665595.db2.gz RCMNQIZSXXDYEP-INIZCTEOSA-N 2 1 308.416 3.486 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001652937640 1195672109 /nfs/dbraw/zinc/67/21/09/1195672109.db2.gz LDJGFWVBRQWILT-UHFFFAOYSA-N 2 1 310.526 3.493 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CCN1c1cc[nH+]cc1 ZINC001653025836 1195681347 /nfs/dbraw/zinc/68/13/47/1195681347.db2.gz ONNKOAOGCMZUHY-INIZCTEOSA-N 2 1 323.440 3.117 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4scnc4c3)C[C@H]2C1 ZINC001653242297 1195702826 /nfs/dbraw/zinc/70/28/26/1195702826.db2.gz ZMMPTZQMDKAHAO-BZUAXINKSA-N 2 1 315.486 3.458 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCCC23CCOCC3)C1 ZINC001653529708 1195731625 /nfs/dbraw/zinc/73/16/25/1195731625.db2.gz XBSUYFOMJNCXFY-RTBURBONSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001653529708 1195731628 /nfs/dbraw/zinc/73/16/28/1195731628.db2.gz XBSUYFOMJNCXFY-RTBURBONSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001653529708 1195731629 /nfs/dbraw/zinc/73/16/29/1195731629.db2.gz XBSUYFOMJNCXFY-RTBURBONSA-N 2 1 320.521 3.247 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC001653770282 1195749021 /nfs/dbraw/zinc/74/90/21/1195749021.db2.gz UIWIWUSVLHWIDW-GOSISDBHSA-N 2 1 307.526 3.201 20 0 DGADMP Cc1cccc(C)c1C[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC001653989425 1195765619 /nfs/dbraw/zinc/76/56/19/1195765619.db2.gz BMGOVVDKKIOBCK-LJQANCHMSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1cccc(C)c1C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC001653989425 1195765621 /nfs/dbraw/zinc/76/56/21/1195765621.db2.gz BMGOVVDKKIOBCK-LJQANCHMSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC001653989425 1195765623 /nfs/dbraw/zinc/76/56/23/1195765623.db2.gz BMGOVVDKKIOBCK-LJQANCHMSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC001653989425 1195765626 /nfs/dbraw/zinc/76/56/26/1195765626.db2.gz BMGOVVDKKIOBCK-LJQANCHMSA-N 2 1 318.505 3.217 20 0 DGADMP CO[C@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001654594422 1195821682 /nfs/dbraw/zinc/82/16/82/1195821682.db2.gz DGYYLFWUGJKMSA-LJQANCHMSA-N 2 1 310.526 3.491 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001654759817 1195835888 /nfs/dbraw/zinc/83/58/88/1195835888.db2.gz PUVRIMXKJBFKHC-ROUUACIJSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001654759817 1195835894 /nfs/dbraw/zinc/83/58/94/1195835894.db2.gz PUVRIMXKJBFKHC-ROUUACIJSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001654759817 1195835898 /nfs/dbraw/zinc/83/58/98/1195835898.db2.gz PUVRIMXKJBFKHC-ROUUACIJSA-N 2 1 308.510 3.411 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001654772526 1195839408 /nfs/dbraw/zinc/83/94/08/1195839408.db2.gz XQUYTRIVWRWCAW-KDURUIRLSA-N 2 1 316.514 3.467 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1ccccc1Cl ZINC001654837855 1195845817 /nfs/dbraw/zinc/84/58/17/1195845817.db2.gz LAXPJXUSKBBXTM-HNNXBMFYSA-N 2 1 315.848 3.488 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024467 1195866514 /nfs/dbraw/zinc/86/65/14/1195866514.db2.gz HJEJRCYEYNMOPG-RYUDHWBXSA-N 2 1 301.356 3.055 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024467 1195866519 /nfs/dbraw/zinc/86/65/19/1195866519.db2.gz HJEJRCYEYNMOPG-RYUDHWBXSA-N 2 1 301.356 3.055 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001655130693 1195880450 /nfs/dbraw/zinc/88/04/50/1195880450.db2.gz LAHHQXJLWHKPKF-IAGOWNOFSA-N 3 1 318.509 3.302 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001655130693 1195880452 /nfs/dbraw/zinc/88/04/52/1195880452.db2.gz LAHHQXJLWHKPKF-IAGOWNOFSA-N 3 1 318.509 3.302 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001655130693 1195880456 /nfs/dbraw/zinc/88/04/56/1195880456.db2.gz LAHHQXJLWHKPKF-IAGOWNOFSA-N 3 1 318.509 3.302 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC001655210959 1195891364 /nfs/dbraw/zinc/89/13/64/1195891364.db2.gz LRYSUOPQHZHDQE-AZUAARDMSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001655259712 1195897241 /nfs/dbraw/zinc/89/72/41/1195897241.db2.gz UJZQYKHKNHHIBZ-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001655282926 1195899299 /nfs/dbraw/zinc/89/92/99/1195899299.db2.gz SZBBNMOOLDMTKW-MSOLQXFVSA-N 2 1 316.489 3.435 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001655456888 1195920173 /nfs/dbraw/zinc/92/01/73/1195920173.db2.gz XRFIDTUWXPVIOZ-UHFFFAOYSA-N 2 1 310.376 3.182 20 0 DGADMP COc1cc(Cl)c(C[NH2+]CCn2cc[nH+]c2C)cc1Cl ZINC001655456415 1195920230 /nfs/dbraw/zinc/92/02/30/1195920230.db2.gz PCGBEANWKNVQLR-UHFFFAOYSA-N 2 1 314.216 3.297 20 0 DGADMP CC[C@H](C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1)OC ZINC001655730501 1195957306 /nfs/dbraw/zinc/95/73/06/1195957306.db2.gz RVVCBIPBZIDIRR-LJQANCHMSA-N 2 1 316.489 3.499 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC001655946396 1195981163 /nfs/dbraw/zinc/98/11/63/1195981163.db2.gz SJMBHISXMQCXPJ-UHFFFAOYSA-N 2 1 302.466 3.175 20 0 DGADMP CC(C)c1[nH+]c(CNCCC[NH+]2CCCC2)c2ccccn21 ZINC001655980433 1195985169 /nfs/dbraw/zinc/98/51/69/1195985169.db2.gz CBSQDIBZXBAKEZ-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP Cc1cccc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001656071565 1195994512 /nfs/dbraw/zinc/99/45/12/1195994512.db2.gz XDXVZUFCBLKQPA-HXUWFJFHSA-N 2 1 324.468 3.160 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn3ccccc23)c1 ZINC001656389809 1196034735 /nfs/dbraw/zinc/03/47/35/1196034735.db2.gz NZMPXMCAWKMCPR-UHFFFAOYSA-N 2 1 308.429 3.076 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](C[C@@]4(C)CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001656574356 1196051401 /nfs/dbraw/zinc/05/14/01/1196051401.db2.gz RPDSTXNCLWCQKX-KFWWJZLASA-N 2 1 317.304 3.378 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](C[C@@]4(C)CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001656574356 1196051406 /nfs/dbraw/zinc/05/14/06/1196051406.db2.gz RPDSTXNCLWCQKX-KFWWJZLASA-N 2 1 317.304 3.378 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](C[C@@]4(C)CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001656574356 1196051408 /nfs/dbraw/zinc/05/14/08/1196051408.db2.gz RPDSTXNCLWCQKX-KFWWJZLASA-N 2 1 317.304 3.378 20 0 DGADMP CCC[N@H+](C)CC(C)(C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001656689860 1196062246 /nfs/dbraw/zinc/06/22/46/1196062246.db2.gz BRHDUODCOZIRBK-QGZVFWFLSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001656689860 1196062249 /nfs/dbraw/zinc/06/22/49/1196062249.db2.gz BRHDUODCOZIRBK-QGZVFWFLSA-N 2 1 304.478 3.263 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001656753963 1196068808 /nfs/dbraw/zinc/06/88/08/1196068808.db2.gz WLVSUWBCAWVFOQ-UXHICEINSA-N 2 1 316.489 3.228 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001656753963 1196068811 /nfs/dbraw/zinc/06/88/11/1196068811.db2.gz WLVSUWBCAWVFOQ-UXHICEINSA-N 2 1 316.489 3.228 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001656963614 1196087712 /nfs/dbraw/zinc/08/77/12/1196087712.db2.gz QZMFIQDXLFLRAA-KRWDZBQOSA-N 2 1 314.477 3.100 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001657078778 1196101758 /nfs/dbraw/zinc/10/17/58/1196101758.db2.gz UPZRUDMDXRPXMB-INIZCTEOSA-N 2 1 306.494 3.141 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082325 1196102377 /nfs/dbraw/zinc/10/23/77/1196102377.db2.gz RKIYQFXUUJPIRM-SJLPKXTDSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082325 1196102378 /nfs/dbraw/zinc/10/23/78/1196102378.db2.gz RKIYQFXUUJPIRM-SJLPKXTDSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C)CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001657152491 1196111205 /nfs/dbraw/zinc/11/12/05/1196111205.db2.gz GAKWNRZYOASEIM-IBGZPJMESA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159830 1196112838 /nfs/dbraw/zinc/11/28/38/1196112838.db2.gz VYIYCAQZJCOODR-BPUTZDHNSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159830 1196112840 /nfs/dbraw/zinc/11/28/40/1196112840.db2.gz VYIYCAQZJCOODR-BPUTZDHNSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001657230830 1196120551 /nfs/dbraw/zinc/12/05/51/1196120551.db2.gz DAJGQJGTIBMZRD-IAGOWNOFSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC001657279324 1196126271 /nfs/dbraw/zinc/12/62/71/1196126271.db2.gz ULAWVFDZBPZYHM-UHFFFAOYSA-N 2 1 307.825 3.424 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000073650620 1196176500 /nfs/dbraw/zinc/17/65/00/1196176500.db2.gz SUHIOSLREWAUCR-HXUWFJFHSA-N 2 1 322.452 3.244 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001657836869 1196182486 /nfs/dbraw/zinc/18/24/86/1196182486.db2.gz KGHCJQOZPZKGHR-SFHVURJKSA-N 2 1 316.493 3.034 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001657836869 1196182491 /nfs/dbraw/zinc/18/24/91/1196182491.db2.gz KGHCJQOZPZKGHR-SFHVURJKSA-N 2 1 316.493 3.034 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC001657939257 1196195520 /nfs/dbraw/zinc/19/55/20/1196195520.db2.gz RQYFKHWAJXAQFD-QGZVFWFLSA-N 2 1 324.896 3.400 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC001657939257 1196195522 /nfs/dbraw/zinc/19/55/22/1196195522.db2.gz RQYFKHWAJXAQFD-QGZVFWFLSA-N 2 1 324.896 3.400 20 0 DGADMP C[C@@H](CO)[N@@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001658010434 1196201467 /nfs/dbraw/zinc/20/14/67/1196201467.db2.gz QYOJHYQNRZVVTF-FXAWDEMLSA-N 2 1 318.505 3.237 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc2ccccc21 ZINC001658218293 1196225965 /nfs/dbraw/zinc/22/59/65/1196225965.db2.gz CUOOESSZPVFGMV-SFHVURJKSA-N 2 1 300.446 3.022 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)CC1 ZINC001658407693 1196253469 /nfs/dbraw/zinc/25/34/69/1196253469.db2.gz YUGOHSNXZUQIFA-QGZVFWFLSA-N 2 1 324.509 3.305 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C3CC3)cn2)CC1 ZINC001658424841 1196255636 /nfs/dbraw/zinc/25/56/36/1196255636.db2.gz HCMXKSVLTHQVSB-UHFFFAOYSA-N 2 1 304.482 3.162 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C3CC3)cn2)CC1 ZINC001658424841 1196255640 /nfs/dbraw/zinc/25/56/40/1196255640.db2.gz HCMXKSVLTHQVSB-UHFFFAOYSA-N 2 1 304.482 3.162 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001658487325 1196262655 /nfs/dbraw/zinc/26/26/55/1196262655.db2.gz ZGRTVSQQUJZTGL-SJLPKXTDSA-N 2 1 304.478 3.194 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001658776891 1196299593 /nfs/dbraw/zinc/29/95/93/1196299593.db2.gz KJRNKOSSPBQJFF-GASCZTMLSA-N 2 1 319.493 3.117 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001658776891 1196299598 /nfs/dbraw/zinc/29/95/98/1196299598.db2.gz KJRNKOSSPBQJFF-GASCZTMLSA-N 2 1 319.493 3.117 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2CCCc2ccc(F)c(F)c2)CC1 ZINC001658867196 1196311519 /nfs/dbraw/zinc/31/15/19/1196311519.db2.gz SDZIFEWAAXVEQH-UHFFFAOYSA-N 2 1 308.416 3.458 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCOC)Cc2ccc(C)cc2C)CC1 ZINC001658944128 1196322948 /nfs/dbraw/zinc/32/29/48/1196322948.db2.gz YTONGKIHAAKWGP-UHFFFAOYSA-N 2 1 318.505 3.484 20 0 DGADMP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(O)c(F)c2F)CC1 ZINC001659027670 1196334608 /nfs/dbraw/zinc/33/46/08/1196334608.db2.gz HMKOSXDNKRTULH-UHFFFAOYSA-N 2 1 310.388 3.167 20 0 DGADMP Cc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001659035216 1196335918 /nfs/dbraw/zinc/33/59/18/1196335918.db2.gz LNHZSYURQLMUDL-GOSISDBHSA-N 2 1 322.880 3.381 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054740 1196337625 /nfs/dbraw/zinc/33/76/25/1196337625.db2.gz RZOAZPWBBAAUGG-QFBILLFUSA-N 2 1 314.473 3.460 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054740 1196337629 /nfs/dbraw/zinc/33/76/29/1196337629.db2.gz RZOAZPWBBAAUGG-QFBILLFUSA-N 2 1 314.473 3.460 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001659270916 1196365180 /nfs/dbraw/zinc/36/51/80/1196365180.db2.gz JODXPRPUDQHRRW-KSZLIROESA-N 2 1 308.510 3.434 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC001659590844 1196397988 /nfs/dbraw/zinc/39/79/88/1196397988.db2.gz YJJGGUVQWGOLSH-HBFSDRIKSA-N 2 1 320.521 3.388 20 0 DGADMP Cc1c(Cl)cccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC001659687937 1196406077 /nfs/dbraw/zinc/40/60/77/1196406077.db2.gz JYJXNODHMLPKHX-UHFFFAOYSA-N 2 1 323.912 3.106 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCc2ccns2)CC1 ZINC001659785697 1196413758 /nfs/dbraw/zinc/41/37/58/1196413758.db2.gz UNDSDIODRJWBDF-INIZCTEOSA-N 2 1 307.507 3.272 20 0 DGADMP COCC[N@H+](Cc1cc(C)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001659805630 1196415451 /nfs/dbraw/zinc/41/54/51/1196415451.db2.gz ZJZNRSXTAWVJOC-UHFFFAOYSA-N 2 1 324.896 3.439 20 0 DGADMP CCc1cccc(F)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001659919176 1196428454 /nfs/dbraw/zinc/42/84/54/1196428454.db2.gz XENSRPCKJVLHAC-HNNXBMFYSA-N 2 1 313.420 3.494 20 0 DGADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2(C)C)cc1 ZINC001659950952 1196431836 /nfs/dbraw/zinc/43/18/36/1196431836.db2.gz SOXNXAZIGPIBEL-RBUKOAKNSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950952 1196431838 /nfs/dbraw/zinc/43/18/38/1196431838.db2.gz SOXNXAZIGPIBEL-RBUKOAKNSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950952 1196431841 /nfs/dbraw/zinc/43/18/41/1196431841.db2.gz SOXNXAZIGPIBEL-RBUKOAKNSA-N 2 1 318.505 3.264 20 0 DGADMP CCO[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+](C)C ZINC001659985297 1196434660 /nfs/dbraw/zinc/43/46/60/1196434660.db2.gz YBUHIQIPFBGXBG-OALUTQOASA-N 2 1 320.452 3.318 20 0 DGADMP CC(C)CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660343380 1196473686 /nfs/dbraw/zinc/47/36/86/1196473686.db2.gz UFBMIZUJZBYCDO-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP CC(C)CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660343380 1196473689 /nfs/dbraw/zinc/47/36/89/1196473689.db2.gz UFBMIZUJZBYCDO-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP CC(C)CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001660343380 1196473690 /nfs/dbraw/zinc/47/36/90/1196473690.db2.gz UFBMIZUJZBYCDO-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP CC(C)CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001660343380 1196473693 /nfs/dbraw/zinc/47/36/93/1196473693.db2.gz UFBMIZUJZBYCDO-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC001660379763 1196476692 /nfs/dbraw/zinc/47/66/92/1196476692.db2.gz DBBJJXDJSKTWMT-PKOBYXMFSA-N 2 1 308.510 3.293 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000076397353 1196478171 /nfs/dbraw/zinc/47/81/71/1196478171.db2.gz DZWCRTBYFQRQKY-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCC(C)(C)C1 ZINC001660457445 1196485859 /nfs/dbraw/zinc/48/58/59/1196485859.db2.gz DHTHJZRIFOJBDJ-SFHVURJKSA-N 2 1 310.526 3.493 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC(C)(C)C1 ZINC001660457444 1196486192 /nfs/dbraw/zinc/48/61/92/1196486192.db2.gz DHTHJZRIFOJBDJ-GOSISDBHSA-N 2 1 310.526 3.493 20 0 DGADMP CC[N@H+]1CCC[C@H](CNCc2nc(C(C)C)n3ccccc23)C1 ZINC001661183464 1196576858 /nfs/dbraw/zinc/57/68/58/1196576858.db2.gz ASTBCVZIPUOFMH-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP CC[N@@H+]1CCC[C@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC001661183464 1196576865 /nfs/dbraw/zinc/57/68/65/1196576865.db2.gz ASTBCVZIPUOFMH-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP CC[N@H+]1CCC[C@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC001661183464 1196576870 /nfs/dbraw/zinc/57/68/70/1196576870.db2.gz ASTBCVZIPUOFMH-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1Br ZINC001663484035 1196884458 /nfs/dbraw/zinc/88/44/58/1196884458.db2.gz QWTKINXXNZMQGU-IJEWVQPXSA-N 2 1 323.278 3.187 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@@H]2C1 ZINC001663489016 1196884522 /nfs/dbraw/zinc/88/45/22/1196884522.db2.gz GUXSXDCDLMDGRJ-BHYNMZESSA-N 2 1 314.260 3.005 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@@H]2C1 ZINC001663489016 1196884530 /nfs/dbraw/zinc/88/45/30/1196884530.db2.gz GUXSXDCDLMDGRJ-BHYNMZESSA-N 2 1 314.260 3.005 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001663533108 1196898458 /nfs/dbraw/zinc/89/84/58/1196898458.db2.gz WYSUZGHMHXPENS-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001663533108 1196898460 /nfs/dbraw/zinc/89/84/60/1196898460.db2.gz WYSUZGHMHXPENS-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001663533108 1196898467 /nfs/dbraw/zinc/89/84/67/1196898467.db2.gz WYSUZGHMHXPENS-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCCC(F)(F)F)CC1 ZINC001663768051 1196942291 /nfs/dbraw/zinc/94/22/91/1196942291.db2.gz XEMXNDNZKRBWPM-UHFFFAOYSA-N 2 1 324.431 3.399 20 0 DGADMP CC[C@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001663949250 1196959902 /nfs/dbraw/zinc/95/99/02/1196959902.db2.gz CFIOKTOGYAZEAK-RBUKOAKNSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@](C)(C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001663949250 1196959904 /nfs/dbraw/zinc/95/99/04/1196959904.db2.gz CFIOKTOGYAZEAK-RBUKOAKNSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001663949250 1196959910 /nfs/dbraw/zinc/95/99/10/1196959910.db2.gz CFIOKTOGYAZEAK-RBUKOAKNSA-N 2 1 304.478 3.255 20 0 DGADMP CC[N@@H+](CCO)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001664087926 1196970325 /nfs/dbraw/zinc/97/03/25/1196970325.db2.gz JXJXJUREZOHAIF-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP CC[NH+](CCO)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001664087926 1196970328 /nfs/dbraw/zinc/97/03/28/1196970328.db2.gz JXJXJUREZOHAIF-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP CC[NH+](CCO)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001664087926 1196970332 /nfs/dbraw/zinc/97/03/32/1196970332.db2.gz JXJXJUREZOHAIF-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001664587447 1197017807 /nfs/dbraw/zinc/01/78/07/1197017807.db2.gz ZSDQZBUEQIFBAV-MUYFXNHWSA-N 2 1 308.510 3.434 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001664617253 1197021926 /nfs/dbraw/zinc/02/19/26/1197021926.db2.gz BMUIZZYEVKTZLO-PBHICJAKSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001664617253 1197021923 /nfs/dbraw/zinc/02/19/23/1197021923.db2.gz BMUIZZYEVKTZLO-PBHICJAKSA-N 2 1 308.491 3.059 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001664879336 1197075059 /nfs/dbraw/zinc/07/50/59/1197075059.db2.gz REXXMMBMMGNNGP-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001664879336 1197075062 /nfs/dbraw/zinc/07/50/62/1197075062.db2.gz REXXMMBMMGNNGP-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001664879336 1197075069 /nfs/dbraw/zinc/07/50/69/1197075069.db2.gz REXXMMBMMGNNGP-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCOC(=O)C1(C)CC([NH2+]CCC[N@@H+](CC)C2CCCCC2)C1 ZINC001665172983 1197105219 /nfs/dbraw/zinc/10/52/19/1197105219.db2.gz BDSSBXWKVLDHMH-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](C)(c3cccc(OC)c3)C2)CC1 ZINC001665247050 1197114563 /nfs/dbraw/zinc/11/45/63/1197114563.db2.gz HTYMJMVRYWTAEN-HXUWFJFHSA-N 2 1 316.489 3.391 20 0 DGADMP CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001674788587 1197874575 /nfs/dbraw/zinc/87/45/75/1197874575.db2.gz UYZQMUZFKSGHCG-ABHNRTSZSA-N 2 1 323.525 3.020 20 0 DGADMP c1csc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103173856 1199483366 /nfs/dbraw/zinc/48/33/66/1199483366.db2.gz ZYZVNEIKJIFTCZ-KRWDZBQOSA-N 2 1 300.471 3.402 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(O)c2)c1 ZINC000105449442 1199541102 /nfs/dbraw/zinc/54/11/02/1199541102.db2.gz CXQDOXOHWKCNGU-UHFFFAOYSA-N 2 1 314.429 3.142 20 0 DGADMP C[C@](O)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310287903 1199715199 /nfs/dbraw/zinc/71/51/99/1199715199.db2.gz MVXIIHFIPJQIOU-FPOVZHCZSA-N 2 1 324.468 3.006 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000310978369 1199733510 /nfs/dbraw/zinc/73/35/10/1199733510.db2.gz JGUXKODESMUOKG-OAHLLOKOSA-N 2 1 311.267 3.066 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)C(C)(C)C ZINC000116378415 1199797514 /nfs/dbraw/zinc/79/75/14/1199797514.db2.gz ICJSXVRGVJNZDW-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000317040033 1199821770 /nfs/dbraw/zinc/82/17/70/1199821770.db2.gz WCEQPVRODXKZKS-VSZNYVQBSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000317040033 1199821776 /nfs/dbraw/zinc/82/17/76/1199821776.db2.gz WCEQPVRODXKZKS-VSZNYVQBSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000317420116 1199825080 /nfs/dbraw/zinc/82/50/80/1199825080.db2.gz QCRQKEMYGQNWGU-ZGUYJTEBSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000317420116 1199825086 /nfs/dbraw/zinc/82/50/86/1199825086.db2.gz QCRQKEMYGQNWGU-ZGUYJTEBSA-N 2 1 308.510 3.292 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000121824639 1200240090 /nfs/dbraw/zinc/24/00/90/1200240090.db2.gz FDPNQEAVDRPVKP-GJZGRUSLSA-N 2 1 305.422 3.286 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000121824639 1200240098 /nfs/dbraw/zinc/24/00/98/1200240098.db2.gz FDPNQEAVDRPVKP-GJZGRUSLSA-N 2 1 305.422 3.286 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000123650952 1200283827 /nfs/dbraw/zinc/28/38/27/1200283827.db2.gz HZLAYJXVWCYBDP-CQSZACIVSA-N 2 1 317.246 3.393 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000125445173 1200397656 /nfs/dbraw/zinc/39/76/56/1200397656.db2.gz LTLQTLVPFCWCNP-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001755024892 1200585325 /nfs/dbraw/zinc/58/53/25/1200585325.db2.gz KRCVMYBKAWQSHY-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001755024892 1200585337 /nfs/dbraw/zinc/58/53/37/1200585337.db2.gz KRCVMYBKAWQSHY-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755024892 1200585344 /nfs/dbraw/zinc/58/53/44/1200585344.db2.gz KRCVMYBKAWQSHY-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001700184030 1202200593 /nfs/dbraw/zinc/20/05/93/1202200593.db2.gz IBXQCHUIFGLPFD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001700184030 1202200594 /nfs/dbraw/zinc/20/05/94/1202200594.db2.gz IBXQCHUIFGLPFD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001700184030 1202200595 /nfs/dbraw/zinc/20/05/95/1202200595.db2.gz IBXQCHUIFGLPFD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220774709 1202566974 /nfs/dbraw/zinc/56/69/74/1202566974.db2.gz NBJRCPNJLJZFEV-DGCLKSJQSA-N 2 1 302.340 3.144 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000157537122 1202602575 /nfs/dbraw/zinc/60/25/75/1202602575.db2.gz OZLZQWVVBWTBJY-PKOBYXMFSA-N 2 1 311.429 3.158 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235487174 1202604624 /nfs/dbraw/zinc/60/46/24/1202604624.db2.gz ZEZAMLAFHSTRRQ-QWHCGFSZSA-N 2 1 311.267 3.442 20 0 DGADMP CC(C)C[C@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236658343 1202617254 /nfs/dbraw/zinc/61/72/54/1202617254.db2.gz GEFHFLFOHYQXSG-SFHVURJKSA-N 2 1 306.494 3.141 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCC(C)C)c2)CC1 ZINC000236857611 1202629587 /nfs/dbraw/zinc/62/95/87/1202629587.db2.gz JAJWCXCHOOUGGU-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001713442286 1202650119 /nfs/dbraw/zinc/65/01/19/1202650119.db2.gz KUNRUYXWDDLIAM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001713442286 1202650120 /nfs/dbraw/zinc/65/01/20/1202650120.db2.gz KUNRUYXWDDLIAM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001713442286 1202650121 /nfs/dbraw/zinc/65/01/21/1202650121.db2.gz KUNRUYXWDDLIAM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278868646 1203117906 /nfs/dbraw/zinc/11/79/06/1203117906.db2.gz WTPKTYIXLISUSP-LDLYASANSA-N 2 1 309.457 3.310 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001717196541 1203597273 /nfs/dbraw/zinc/59/72/73/1203597273.db2.gz GIWUTGFPBZJUMX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001717196541 1203597274 /nfs/dbraw/zinc/59/72/74/1203597274.db2.gz GIWUTGFPBZJUMX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001717196541 1203597280 /nfs/dbraw/zinc/59/72/80/1203597280.db2.gz GIWUTGFPBZJUMX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001717196539 1203597741 /nfs/dbraw/zinc/59/77/41/1203597741.db2.gz GIWUTGFPBZJUMX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001717196539 1203597742 /nfs/dbraw/zinc/59/77/42/1203597742.db2.gz GIWUTGFPBZJUMX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001717196539 1203597743 /nfs/dbraw/zinc/59/77/43/1203597743.db2.gz GIWUTGFPBZJUMX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717540037 1203676887 /nfs/dbraw/zinc/67/68/87/1203676887.db2.gz IBNUNJMNWBPKGJ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001717837924 1203718961 /nfs/dbraw/zinc/71/89/61/1203718961.db2.gz PXSAPIJNKLKBRV-AOIWGVFYSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001717856354 1203722956 /nfs/dbraw/zinc/72/29/56/1203722956.db2.gz RUOSVKYDUNVERB-WBVHZDCISA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001717856354 1203722957 /nfs/dbraw/zinc/72/29/57/1203722957.db2.gz RUOSVKYDUNVERB-WBVHZDCISA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001717856354 1203722959 /nfs/dbraw/zinc/72/29/59/1203722959.db2.gz RUOSVKYDUNVERB-WBVHZDCISA-N 2 1 323.525 3.019 20 0 DGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC=C(C)C)[NH+](CC)CC ZINC001731541136 1204451060 /nfs/dbraw/zinc/45/10/60/1204451060.db2.gz PINSNNOKVHRPIZ-ROUUACIJSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001175740771 1098152477 /nfs/dbraw/zinc/15/24/77/1098152477.db2.gz VGYMCFJKCXIEIO-QGZVFWFLSA-N 2 1 313.530 3.172 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236603903 1099698521 /nfs/dbraw/zinc/69/85/21/1099698521.db2.gz DQHLHAOIKWHPIQ-ZDUSSCGKSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236603903 1099698532 /nfs/dbraw/zinc/69/85/32/1099698532.db2.gz DQHLHAOIKWHPIQ-ZDUSSCGKSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012240 1081578226 /nfs/dbraw/zinc/57/82/26/1081578226.db2.gz JFZUBJZBLKZNBT-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1 ZINC001206767658 1081616263 /nfs/dbraw/zinc/61/62/63/1081616263.db2.gz DFPOSHSCMZBIBQ-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1 ZINC001206767658 1081616265 /nfs/dbraw/zinc/61/62/65/1081616265.db2.gz DFPOSHSCMZBIBQ-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP c1c([NH2+]CC23CC[NH+](CC2)CC3)cc2c3c1CCCN3CCC2 ZINC001169802912 1081653329 /nfs/dbraw/zinc/65/33/29/1081653329.db2.gz SZSCKAGYJGZWBE-UHFFFAOYSA-N 2 1 311.473 3.283 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3cnc(Cl)s3)CC2)CC1 ZINC001209471410 1081761721 /nfs/dbraw/zinc/76/17/21/1081761721.db2.gz VZQDZMHOLZXKSK-UHFFFAOYSA-N 2 1 313.898 3.350 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)[C@H](C)C1 ZINC001169987873 1081785343 /nfs/dbraw/zinc/78/53/43/1081785343.db2.gz FEIYLSOLSMLLNE-GDBMZVCRSA-N 2 1 311.514 3.106 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206028324 1081843383 /nfs/dbraw/zinc/84/33/83/1081843383.db2.gz YGMRZQIGNBPGPT-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206028324 1081843392 /nfs/dbraw/zinc/84/33/92/1081843392.db2.gz YGMRZQIGNBPGPT-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266474508 1081878008 /nfs/dbraw/zinc/87/80/08/1081878008.db2.gz PGYMYFXHMQPLIZ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266474508 1081878014 /nfs/dbraw/zinc/87/80/14/1081878014.db2.gz PGYMYFXHMQPLIZ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266474508 1081878018 /nfs/dbraw/zinc/87/80/18/1081878018.db2.gz PGYMYFXHMQPLIZ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC ZINC001109857973 1081925780 /nfs/dbraw/zinc/92/57/80/1081925780.db2.gz MWIWJHCCMXZHBP-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC ZINC001109857973 1081925784 /nfs/dbraw/zinc/92/57/84/1081925784.db2.gz MWIWJHCCMXZHBP-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109857973 1081925789 /nfs/dbraw/zinc/92/57/89/1081925789.db2.gz MWIWJHCCMXZHBP-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1CC[N@H+](CCCc2cccc(Br)c2)CC[NH2+]1 ZINC001210473171 1081967714 /nfs/dbraw/zinc/96/77/14/1081967714.db2.gz BGYLYMREXDOJER-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211257873 1082100302 /nfs/dbraw/zinc/10/03/02/1082100302.db2.gz WHCCJHMUDQJRCN-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001170101801 1082100352 /nfs/dbraw/zinc/10/03/52/1082100352.db2.gz PMBXAAYJTTTYKJ-NJAFHUGGSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398300296 1082124315 /nfs/dbraw/zinc/12/43/15/1082124315.db2.gz GDTTZEQCIDIOOK-JWOSDPRPSA-N 2 1 324.443 3.477 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398300296 1082124320 /nfs/dbraw/zinc/12/43/20/1082124320.db2.gz GDTTZEQCIDIOOK-JWOSDPRPSA-N 2 1 324.443 3.477 20 0 DGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398341566 1082134473 /nfs/dbraw/zinc/13/44/73/1082134473.db2.gz VGLRXOGXBQMGJF-XJRBWHPUSA-N 2 1 324.443 3.477 20 0 DGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398341566 1082134475 /nfs/dbraw/zinc/13/44/75/1082134475.db2.gz VGLRXOGXBQMGJF-XJRBWHPUSA-N 2 1 324.443 3.477 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[NH+](C(C)C)C(C)C ZINC001170412309 1082370154 /nfs/dbraw/zinc/37/01/54/1082370154.db2.gz PLNKZDAWMCWSCF-QGZVFWFLSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC001167552946 1082505150 /nfs/dbraw/zinc/50/51/50/1082505150.db2.gz AQNLIHIBUSONRZ-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OC ZINC001167552946 1082505155 /nfs/dbraw/zinc/50/51/55/1082505155.db2.gz AQNLIHIBUSONRZ-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OC ZINC001167552946 1082505158 /nfs/dbraw/zinc/50/51/58/1082505158.db2.gz AQNLIHIBUSONRZ-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC001167552949 1082505204 /nfs/dbraw/zinc/50/52/04/1082505204.db2.gz AQNLIHIBUSONRZ-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OC ZINC001167552949 1082505208 /nfs/dbraw/zinc/50/52/08/1082505208.db2.gz AQNLIHIBUSONRZ-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OC ZINC001167552949 1082505211 /nfs/dbraw/zinc/50/52/11/1082505211.db2.gz AQNLIHIBUSONRZ-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287804 1082526723 /nfs/dbraw/zinc/52/67/23/1082526723.db2.gz FYFWFHAWNOFVGH-OAHLLOKOSA-N 2 1 322.518 3.449 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287804 1082526729 /nfs/dbraw/zinc/52/67/29/1082526729.db2.gz FYFWFHAWNOFVGH-OAHLLOKOSA-N 2 1 322.518 3.449 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001204604699 1082668015 /nfs/dbraw/zinc/66/80/15/1082668015.db2.gz VVGKETTVGVEFOF-QAPCUYQASA-N 2 1 322.443 3.432 20 0 DGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132110907 1082820545 /nfs/dbraw/zinc/82/05/45/1082820545.db2.gz MZGNWMGPCYVTNG-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132110907 1082820548 /nfs/dbraw/zinc/82/05/48/1082820548.db2.gz MZGNWMGPCYVTNG-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132110907 1082820555 /nfs/dbraw/zinc/82/05/55/1082820555.db2.gz MZGNWMGPCYVTNG-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517461 1082928263 /nfs/dbraw/zinc/92/82/63/1082928263.db2.gz CNXKTAVHZSYJTK-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660210 1083060237 /nfs/dbraw/zinc/06/02/37/1083060237.db2.gz UVVPKLUFJYQMOJ-CJNGLKHVSA-N 2 1 308.416 3.144 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)CC1 ZINC001170707774 1083197039 /nfs/dbraw/zinc/19/70/39/1083197039.db2.gz WXTVIDVLWOOEHZ-MRXNPFEDSA-N 2 1 320.427 3.240 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267613682 1083201711 /nfs/dbraw/zinc/20/17/11/1083201711.db2.gz PWTHXYSZQUEOGR-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)CC1(c2ccc3c(c2)OCO3)CC1 ZINC001181515359 1083492448 /nfs/dbraw/zinc/49/24/48/1083492448.db2.gz SYODOOYGUVIJOE-UHFFFAOYSA-N 2 1 318.461 3.111 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001181868099 1083563949 /nfs/dbraw/zinc/56/39/49/1083563949.db2.gz DKGVPFCARZXOAB-INIZCTEOSA-N 2 1 313.530 3.016 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001267924160 1083574812 /nfs/dbraw/zinc/57/48/12/1083574812.db2.gz FIUKOSZZZQPFRZ-BZSNNMDCSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[PH+](C(C)C)C(C)C)C1 ZINC001181983790 1083594933 /nfs/dbraw/zinc/59/49/33/1083594933.db2.gz RSGFGZABTXCTDO-OAHLLOKOSA-N 2 1 300.427 3.132 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001167750677 1083621315 /nfs/dbraw/zinc/62/13/15/1083621315.db2.gz BTWODCXNVPPTPH-RDJZCZTQSA-N 2 1 302.466 3.183 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2cc3sccc3nc2Cl)CC1 ZINC001222548418 1083717116 /nfs/dbraw/zinc/71/71/16/1083717116.db2.gz KZRGMALVMDCJNO-UHFFFAOYSA-N 2 1 313.829 3.213 20 0 DGADMP CC(C)[PH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC1CC1)C(C)C ZINC001182560564 1083752215 /nfs/dbraw/zinc/75/22/15/1083752215.db2.gz IJTUZERVOQDDQX-INIZCTEOSA-N 2 1 312.438 3.276 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001183282004 1083907611 /nfs/dbraw/zinc/90/76/11/1083907611.db2.gz QPPOGXLYJNAWFM-RLLQIKCJSA-N 2 1 318.505 3.405 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001167827845 1084125811 /nfs/dbraw/zinc/12/58/11/1084125811.db2.gz YICIQQGUCTXOOZ-HKUYNNGSSA-N 2 1 319.493 3.435 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001167835713 1084158871 /nfs/dbraw/zinc/15/88/71/1084158871.db2.gz UDANGJGKCZCLGS-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CCCCOC(=O)[C@@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167835909 1084160018 /nfs/dbraw/zinc/16/00/18/1084160018.db2.gz VWPVRLJJHDKLRH-DLBZAZTESA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001167838206 1084163379 /nfs/dbraw/zinc/16/33/79/1084163379.db2.gz RNADZBGEJKMZGD-WMZOPIPTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001167841917 1084182657 /nfs/dbraw/zinc/18/26/57/1084182657.db2.gz UNNMQJWYUJVHSZ-MRXNPFEDSA-N 2 1 320.477 3.416 20 0 DGADMP CCCC[N@@H+](CC(=O)OCC)[C@@H](C)CCC[NH+](CC)CC ZINC001167842059 1084183861 /nfs/dbraw/zinc/18/38/61/1084183861.db2.gz WMKIRJPABKPGHB-INIZCTEOSA-N 2 1 300.487 3.162 20 0 DGADMP CCCOCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167873499 1084293347 /nfs/dbraw/zinc/29/33/47/1084293347.db2.gz XMNJQZZQUQQPNT-MRXNPFEDSA-N 2 1 316.449 3.189 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(C)cc2)CC1 ZINC000154816486 1084641182 /nfs/dbraw/zinc/64/11/82/1084641182.db2.gz JUIKJYUWLBNJRA-KRWDZBQOSA-N 2 1 304.478 3.017 20 0 DGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001186974726 1084734875 /nfs/dbraw/zinc/73/48/75/1084734875.db2.gz BXAUCXMRQXCZQO-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204937198 1084862271 /nfs/dbraw/zinc/86/22/71/1084862271.db2.gz AFUQOHYIAMGWDH-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204937198 1084862276 /nfs/dbraw/zinc/86/22/76/1084862276.db2.gz AFUQOHYIAMGWDH-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C)c(C)n1 ZINC001268741235 1085013907 /nfs/dbraw/zinc/01/39/07/1085013907.db2.gz XQNUNOWJUFZYND-HNNXBMFYSA-N 2 1 319.493 3.493 20 0 DGADMP CCCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001269545581 1085457943 /nfs/dbraw/zinc/45/79/43/1085457943.db2.gz VKUKOAUZGZQERF-QGZVFWFLSA-N 2 1 323.525 3.068 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965491 1085852552 /nfs/dbraw/zinc/85/25/52/1085852552.db2.gz HNOGSFFKBNNHAK-VOBGVNJCSA-N 3 1 321.553 3.492 20 0 DGADMP Cc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167965356 1085852849 /nfs/dbraw/zinc/85/28/49/1085852849.db2.gz BXMYCIKSLNKSKU-YQQQUEKLSA-N 2 1 314.473 3.369 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccn1 ZINC001204742430 1085889725 /nfs/dbraw/zinc/88/97/25/1085889725.db2.gz NXRYPXWMPCCDDW-UHFFFAOYSA-N 2 1 301.478 3.345 20 0 DGADMP c1cnc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCC2 ZINC001167968945 1085898340 /nfs/dbraw/zinc/89/83/40/1085898340.db2.gz XHKUAFKEGMSDPC-KRXYWNSISA-N 2 1 311.473 3.454 20 0 DGADMP Oc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167971254 1085904418 /nfs/dbraw/zinc/90/44/18/1085904418.db2.gz VHLOHLAIWPAOPX-KVMCETHSSA-N 2 1 312.457 3.375 20 0 DGADMP Oc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167971254 1085904435 /nfs/dbraw/zinc/90/44/35/1085904435.db2.gz VHLOHLAIWPAOPX-KVMCETHSSA-N 2 1 312.457 3.375 20 0 DGADMP CCOc1cc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC001143575194 1085931239 /nfs/dbraw/zinc/93/12/39/1085931239.db2.gz RIXISKXNSLDKGW-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@]3(C1)CCCCO3)C2 ZINC001167987673 1086004629 /nfs/dbraw/zinc/00/46/29/1086004629.db2.gz MDSLFUZGJHWWBH-SWDXFRIISA-N 2 1 304.478 3.037 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@]3(C1)CCCCO3)C2 ZINC001167987673 1086004640 /nfs/dbraw/zinc/00/46/40/1086004640.db2.gz MDSLFUZGJHWWBH-SWDXFRIISA-N 2 1 304.478 3.037 20 0 DGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@]3(C1)CCCCO3)C2 ZINC001167987673 1086004650 /nfs/dbraw/zinc/00/46/50/1086004650.db2.gz MDSLFUZGJHWWBH-SWDXFRIISA-N 2 1 304.478 3.037 20 0 DGADMP CO[C@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21 ZINC001167993981 1086060742 /nfs/dbraw/zinc/06/07/42/1086060742.db2.gz UVYRGQHFTGPHEG-BEJCSFGISA-N 2 1 318.505 3.139 20 0 DGADMP CO[C@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001167993981 1086060755 /nfs/dbraw/zinc/06/07/55/1086060755.db2.gz UVYRGQHFTGPHEG-BEJCSFGISA-N 2 1 318.505 3.139 20 0 DGADMP CO[C@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001167993981 1086060762 /nfs/dbraw/zinc/06/07/62/1086060762.db2.gz UVYRGQHFTGPHEG-BEJCSFGISA-N 2 1 318.505 3.139 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996141 1086067261 /nfs/dbraw/zinc/06/72/61/1086067261.db2.gz XJTCAQPERKDMCZ-HTUJPFKRSA-N 2 1 306.494 3.283 20 0 DGADMP COCC[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996141 1086067277 /nfs/dbraw/zinc/06/72/77/1086067277.db2.gz XJTCAQPERKDMCZ-HTUJPFKRSA-N 2 1 306.494 3.283 20 0 DGADMP COCC[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996141 1086067287 /nfs/dbraw/zinc/06/72/87/1086067287.db2.gz XJTCAQPERKDMCZ-HTUJPFKRSA-N 2 1 306.494 3.283 20 0 DGADMP CC[NH+](CC)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996196 1086068050 /nfs/dbraw/zinc/06/80/50/1086068050.db2.gz YYXQFGYGCLBCBL-YOFSQIOKSA-N 2 1 319.537 3.198 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005551 1086148053 /nfs/dbraw/zinc/14/80/53/1086148053.db2.gz JOPREAYGJVKSOV-FPPGBKCQSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006001 1086152835 /nfs/dbraw/zinc/15/28/35/1086152835.db2.gz MDEGTIHTGJRQSJ-HGKCTWBKSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007790 1086164481 /nfs/dbraw/zinc/16/44/81/1086164481.db2.gz UPMULMTVIDRBJY-NBMJBFSESA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC(N[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011228 1086213541 /nfs/dbraw/zinc/21/35/41/1086213541.db2.gz MWGUIJLPBODIRO-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1CC(N[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011228 1086213551 /nfs/dbraw/zinc/21/35/51/1086213551.db2.gz MWGUIJLPBODIRO-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602640 1086324306 /nfs/dbraw/zinc/32/43/06/1086324306.db2.gz XONCELJNXLPSHG-OKZBNKHCSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602640 1086324314 /nfs/dbraw/zinc/32/43/14/1086324314.db2.gz XONCELJNXLPSHG-OKZBNKHCSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602640 1086324332 /nfs/dbraw/zinc/32/43/32/1086324332.db2.gz XONCELJNXLPSHG-OKZBNKHCSA-N 2 1 323.525 3.019 20 0 DGADMP Cc1nccc(CN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023041 1086409609 /nfs/dbraw/zinc/40/96/09/1086409609.db2.gz USITXIWGCNDMIP-CWPLJXCYSA-N 2 1 324.472 3.316 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031562 1086462891 /nfs/dbraw/zinc/46/28/91/1086462891.db2.gz ZUIOQEKUVHDEIA-DLRXZHIHSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168031562 1086462897 /nfs/dbraw/zinc/46/28/97/1086462897.db2.gz ZUIOQEKUVHDEIA-DLRXZHIHSA-N 3 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031562 1086462899 /nfs/dbraw/zinc/46/28/99/1086462899.db2.gz ZUIOQEKUVHDEIA-DLRXZHIHSA-N 3 1 315.505 3.288 20 0 DGADMP Cc1nccnc1CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168035018 1086478204 /nfs/dbraw/zinc/47/82/04/1086478204.db2.gz SDMUMIKWJZEOHL-HGKCTWBKSA-N 2 1 324.472 3.316 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039450 1086498347 /nfs/dbraw/zinc/49/83/47/1086498347.db2.gz DYAIOZCRZPHEIY-OPVJXMOQSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[N@H+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039450 1086498349 /nfs/dbraw/zinc/49/83/49/1086498349.db2.gz DYAIOZCRZPHEIY-OPVJXMOQSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[N@@H+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039450 1086498350 /nfs/dbraw/zinc/49/83/50/1086498350.db2.gz DYAIOZCRZPHEIY-OPVJXMOQSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](O)CC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040031 1086500230 /nfs/dbraw/zinc/50/02/30/1086500230.db2.gz JXLLLBGMBZFPJX-HPUSYDDDSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)CC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040031 1086500235 /nfs/dbraw/zinc/50/02/35/1086500235.db2.gz JXLLLBGMBZFPJX-HPUSYDDDSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040031 1086500240 /nfs/dbraw/zinc/50/02/40/1086500240.db2.gz JXLLLBGMBZFPJX-HPUSYDDDSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040031 1086500244 /nfs/dbraw/zinc/50/02/44/1086500244.db2.gz JXLLLBGMBZFPJX-HPUSYDDDSA-N 2 1 316.489 3.273 20 0 DGADMP COC[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042074 1086511925 /nfs/dbraw/zinc/51/19/25/1086511925.db2.gz YQAHYOMCPLJYLH-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042074 1086511930 /nfs/dbraw/zinc/51/19/30/1086511930.db2.gz YQAHYOMCPLJYLH-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042074 1086511935 /nfs/dbraw/zinc/51/19/35/1086511935.db2.gz YQAHYOMCPLJYLH-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042074 1086511941 /nfs/dbraw/zinc/51/19/41/1086511941.db2.gz YQAHYOMCPLJYLH-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC([NH+]2CCC(CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044979 1086521022 /nfs/dbraw/zinc/52/10/22/1086521022.db2.gz HZGVGJKAPUCZOA-IAGOWNOFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1CC([N@H+]2CCC3(COC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045796 1086525176 /nfs/dbraw/zinc/52/51/76/1086525176.db2.gz KKOJSMVVFZWZMX-IRXDYDNUSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1CC([N@H+](C)[C@H]2CCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055383 1086621444 /nfs/dbraw/zinc/62/14/44/1086621444.db2.gz VNJAGHONTJYHEY-NUJGCVRESA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1CC([N@@H+](C)[C@H]2CCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055383 1086621446 /nfs/dbraw/zinc/62/14/46/1086621446.db2.gz VNJAGHONTJYHEY-NUJGCVRESA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168060877 1086639067 /nfs/dbraw/zinc/63/90/67/1086639067.db2.gz YQAHYOMCPLJYLH-LMMKCTJWSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168060877 1086639074 /nfs/dbraw/zinc/63/90/74/1086639074.db2.gz YQAHYOMCPLJYLH-LMMKCTJWSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@@H]1CC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063637 1086648116 /nfs/dbraw/zinc/64/81/16/1086648116.db2.gz DCOAKAKRQPPIDP-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063637 1086648121 /nfs/dbraw/zinc/64/81/21/1086648121.db2.gz DCOAKAKRQPPIDP-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063637 1086648122 /nfs/dbraw/zinc/64/81/22/1086648122.db2.gz DCOAKAKRQPPIDP-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064939 1086658164 /nfs/dbraw/zinc/65/81/64/1086658164.db2.gz SOWBWXPGAAJYJT-MIALQEHNSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064939 1086658167 /nfs/dbraw/zinc/65/81/67/1086658167.db2.gz SOWBWXPGAAJYJT-MIALQEHNSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@H]1CC([N@@H+](C)CC2COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065452 1086661335 /nfs/dbraw/zinc/66/13/35/1086661335.db2.gz WHEGGCHILUGJOY-HOTGVXAUSA-N 2 1 302.462 3.006 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001168093226 1086851084 /nfs/dbraw/zinc/85/10/84/1086851084.db2.gz MGOGFXDQZMLKGS-BBRMVZONSA-N 2 1 308.853 3.157 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]C2CCCCC2)[C@H](c2ccccc2)C1 ZINC001204691752 1086932050 /nfs/dbraw/zinc/93/20/50/1086932050.db2.gz LSWCUVTYVQZCQQ-FQEVSTJZSA-N 2 1 315.505 3.288 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328437 1087295523 /nfs/dbraw/zinc/29/55/23/1087295523.db2.gz GNIHXKKCKGDJHQ-FAEJEUNOSA-N 2 1 304.478 3.431 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168330984 1087297375 /nfs/dbraw/zinc/29/73/75/1087297375.db2.gz WILHYPGFHCVRBY-DAWZGUTISA-N 2 1 317.477 3.106 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168353091 1087305139 /nfs/dbraw/zinc/30/51/39/1087305139.db2.gz KFSWUZRIAJYRAT-CQSZACIVSA-N 2 1 318.461 3.229 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168365803 1087388789 /nfs/dbraw/zinc/38/87/89/1087388789.db2.gz XBOZVJWJBXQJMZ-LJQANCHMSA-N 2 1 315.461 3.005 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373420 1087473547 /nfs/dbraw/zinc/47/35/47/1087473547.db2.gz RPPJKGDGOSSXLY-AWEZNQCLSA-N 2 1 308.363 3.085 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373420 1087473551 /nfs/dbraw/zinc/47/35/51/1087473551.db2.gz RPPJKGDGOSSXLY-AWEZNQCLSA-N 2 1 308.363 3.085 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395415 1087552025 /nfs/dbraw/zinc/55/20/25/1087552025.db2.gz ZAJUOFXCXJYLBI-SFHVURJKSA-N 2 1 314.473 3.359 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc1NC1CC1 ZINC001158259730 1087746620 /nfs/dbraw/zinc/74/66/20/1087746620.db2.gz SFCAHGVDOIIRCL-RDTXWAMCSA-N 2 1 317.481 3.315 20 0 DGADMP CCCCCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158356925 1087791745 /nfs/dbraw/zinc/79/17/45/1087791745.db2.gz WWJROPYNFCQUGR-INIZCTEOSA-N 2 1 322.497 3.073 20 0 DGADMP C[N@H+](Cc1ccccc1Br)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699306790 1087954266 /nfs/dbraw/zinc/95/42/66/1087954266.db2.gz WDZXDSPPRNAERK-LQDVMPOASA-N 2 1 323.278 3.412 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(N(C)C)[nH+]c(C)n1 ZINC001158729753 1087996853 /nfs/dbraw/zinc/99/68/53/1087996853.db2.gz NHYUIUXATBMMIO-HNNXBMFYSA-N 2 1 311.433 3.091 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464110 1088615403 /nfs/dbraw/zinc/61/54/03/1088615403.db2.gz DLOUYZXNYUMJTI-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP [NH3+][C@@H]1CCN(c2cccc(F)c2Nc2cc[nH+]c3ccccc23)C1 ZINC001160064232 1088629048 /nfs/dbraw/zinc/62/90/48/1088629048.db2.gz IOXDJZJVHIDVRS-CYBMUJFWSA-N 2 1 322.387 3.077 20 0 DGADMP Cc1cc(Nc2ccc(OC3CC[NH2+]CC3)c(C)c2)c[nH+]c1N ZINC001160237233 1088717805 /nfs/dbraw/zinc/71/78/05/1088717805.db2.gz ZGDPGZVOBSPFPY-UHFFFAOYSA-N 2 1 312.417 3.155 20 0 DGADMP c1ccc(Nc2ccc3c[nH+]ccc3c2)c(CN2CC[NH2+]CC2)c1 ZINC001160296786 1088745629 /nfs/dbraw/zinc/74/56/29/1088745629.db2.gz JMDPPXWQVHSWRM-UHFFFAOYSA-N 2 1 318.424 3.384 20 0 DGADMP c1cc2c(c(Nc3cccc4cc[nH+]cc43)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394318 1088779298 /nfs/dbraw/zinc/77/92/98/1088779298.db2.gz HFVOZZCLLCECSR-KDOFPFPSSA-N 2 1 303.365 3.426 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2cc1F ZINC001155028600 1088905160 /nfs/dbraw/zinc/90/51/60/1088905160.db2.gz DFOZEDSJWJYLNW-JSGCOSHPSA-N 2 1 317.408 3.430 20 0 DGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160739509 1088936532 /nfs/dbraw/zinc/93/65/32/1088936532.db2.gz MWCCMLSZOXLMRW-UONOGXRCSA-N 2 1 309.335 3.496 20 0 DGADMP COc1ccc2[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)cc(C)c2c1 ZINC001155118566 1088958999 /nfs/dbraw/zinc/95/89/99/1088958999.db2.gz XZKHWTBLVCJYRU-SFHVURJKSA-N 2 1 317.408 3.446 20 0 DGADMP Nc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161181694 1089144707 /nfs/dbraw/zinc/14/47/07/1089144707.db2.gz CVTHPLXXICMNHO-HNNXBMFYSA-N 2 1 302.809 3.004 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC001155588307 1089176695 /nfs/dbraw/zinc/17/66/95/1089176695.db2.gz UHXCXWQMSTYANY-UBDQQSCGSA-N 2 1 314.477 3.038 20 0 DGADMP C[NH+](C)CCCCNc1cc[nH+]c2ccc(Br)cc12 ZINC001161730664 1089377268 /nfs/dbraw/zinc/37/72/68/1089377268.db2.gz OGROJJNCVUWVEK-UHFFFAOYSA-N 2 1 322.250 3.173 20 0 DGADMP CC(C)N(CCC[NH3+])c1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001156118029 1089395489 /nfs/dbraw/zinc/39/54/89/1089395489.db2.gz NUIAXJNPLGAMEL-UHFFFAOYSA-N 2 1 323.444 3.043 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(C[NH+]2CCCC2)cn1 ZINC001156927118 1089749001 /nfs/dbraw/zinc/74/90/01/1089749001.db2.gz AQMXRCNHLWOSTE-KRWDZBQOSA-N 2 1 316.493 3.354 20 0 DGADMP Cc1cc(N2CCCC2)nc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001156928978 1089752998 /nfs/dbraw/zinc/75/29/98/1089752998.db2.gz QVEZQTQPVZTOPE-MRXNPFEDSA-N 2 1 317.481 3.062 20 0 DGADMP C[C@@H]1C[C@@H](CNc2[nH+]ccc3ccn(Cc4ccccc4)c32)C[NH2+]1 ZINC001162557870 1089788029 /nfs/dbraw/zinc/78/80/29/1089788029.db2.gz NENPLUBRYAXGFL-NVXWUHKLSA-N 2 1 320.440 3.495 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001157406069 1089949940 /nfs/dbraw/zinc/94/99/40/1089949940.db2.gz XRWVNLXOONJBKN-INIZCTEOSA-N 2 1 302.466 3.183 20 0 DGADMP CC[C@@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[NH+](CC)CC ZINC001157439007 1089969167 /nfs/dbraw/zinc/96/91/67/1089969167.db2.gz RSBZNMWSVLVTEN-INIZCTEOSA-N 2 1 318.465 3.131 20 0 DGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(N3CCCC3)cc[nH+]2)[C@H](C)C1 ZINC001163365841 1090165216 /nfs/dbraw/zinc/16/52/16/1090165216.db2.gz OAGFLEOALLYIDM-WBVHZDCISA-N 2 1 302.466 3.213 20 0 DGADMP CC(C)(C)CC(C)(C)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001158189550 1090198161 /nfs/dbraw/zinc/19/81/61/1090198161.db2.gz YEPPWARNLPRWER-UHFFFAOYSA-N 2 1 305.470 3.031 20 0 DGADMP CC(C)c1ccc(CNc2[nH+]cccc2N2CC[NH2+]CC2)cc1 ZINC001163816546 1090265047 /nfs/dbraw/zinc/26/50/47/1090265047.db2.gz HFYRKKBTGDGDSE-UHFFFAOYSA-N 2 1 310.445 3.227 20 0 DGADMP Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC001165083103 1090462298 /nfs/dbraw/zinc/46/22/98/1090462298.db2.gz VQOUZRXWNULXAN-RBUKOAKNSA-N 2 1 307.441 3.409 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000691313780 1090469528 /nfs/dbraw/zinc/46/95/28/1090469528.db2.gz BRKSBHCPPYYDOW-VAMGGRTRSA-N 2 1 314.473 3.056 20 0 DGADMP C[NH+]1CCCC[C@H]1c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)nc1 ZINC001165272956 1090494218 /nfs/dbraw/zinc/49/42/18/1090494218.db2.gz NIEFDJYRUXZRPP-WMZOPIPTSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@@H](CCNc2ccc([C@@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001165272956 1090494220 /nfs/dbraw/zinc/49/42/20/1090494220.db2.gz NIEFDJYRUXZRPP-WMZOPIPTSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@@H](CCNc2ccc([C@@H]3CCCC[N@H+]3C)cn2)C1 ZINC001165272956 1090494224 /nfs/dbraw/zinc/49/42/24/1090494224.db2.gz NIEFDJYRUXZRPP-WMZOPIPTSA-N 2 1 316.493 3.382 20 0 DGADMP C[N@H+]1CCC[C@@H](CCNc2ccc([C@@H]3CCC[NH2+]C3)cc2)C1 ZINC001165300476 1090499716 /nfs/dbraw/zinc/49/97/16/1090499716.db2.gz OZRVNIQZXOEGNH-FUHWJXTLSA-N 2 1 301.478 3.297 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(NCC[C@H]3CCC[NH+](C)C3)cc2)C1 ZINC001165300940 1090499739 /nfs/dbraw/zinc/49/97/39/1090499739.db2.gz VBNFCYAHGIVKKA-SJLPKXTDSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@@H](c2ccc(NCC[C@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001165300940 1090499742 /nfs/dbraw/zinc/49/97/42/1090499742.db2.gz VBNFCYAHGIVKKA-SJLPKXTDSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@@H](c2ccc(NCC[C@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001165300940 1090499744 /nfs/dbraw/zinc/49/97/44/1090499744.db2.gz VBNFCYAHGIVKKA-SJLPKXTDSA-N 2 1 301.478 3.250 20 0 DGADMP Cc1ccc(C)c(NCc2ccc(CN3CCOCC3)cc2)n1 ZINC001165326559 1090504514 /nfs/dbraw/zinc/50/45/14/1090504514.db2.gz OGLUQCZSMCLYJG-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729939 1090610805 /nfs/dbraw/zinc/61/08/05/1090610805.db2.gz YOZNKLBAJKFINE-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206718279 1090656966 /nfs/dbraw/zinc/65/69/66/1090656966.db2.gz NWVVDGLJGZDAGR-KRWDZBQOSA-N 2 1 322.880 3.417 20 0 DGADMP COc1ccc2c[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)cc2c1 ZINC001166899891 1090673717 /nfs/dbraw/zinc/67/37/17/1090673717.db2.gz GEJRIDBEIMIARE-GOSISDBHSA-N 2 1 311.429 3.212 20 0 DGADMP COc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]c2ccccc21 ZINC001166900965 1090673743 /nfs/dbraw/zinc/67/37/43/1090673743.db2.gz YYZGIFIJKSRZCD-MRXNPFEDSA-N 2 1 311.429 3.212 20 0 DGADMP Cn1cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001203270456 1090711007 /nfs/dbraw/zinc/71/10/07/1090711007.db2.gz DEYZIGHPSHXVMO-PMACEKPBSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203270456 1090711014 /nfs/dbraw/zinc/71/10/14/1090711014.db2.gz DEYZIGHPSHXVMO-PMACEKPBSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203270456 1090711023 /nfs/dbraw/zinc/71/10/23/1090711023.db2.gz DEYZIGHPSHXVMO-PMACEKPBSA-N 2 1 323.484 3.369 20 0 DGADMP COc1cccc2[nH]cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c21 ZINC001276408952 1090719860 /nfs/dbraw/zinc/71/98/60/1090719860.db2.gz PZHKSXIFLUFAEP-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c21 ZINC001276408952 1090719865 /nfs/dbraw/zinc/71/98/65/1090719865.db2.gz PZHKSXIFLUFAEP-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2[nH]cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c21 ZINC001276408952 1090719870 /nfs/dbraw/zinc/71/98/70/1090719870.db2.gz PZHKSXIFLUFAEP-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2[nH]cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)c21 ZINC001276408952 1090719876 /nfs/dbraw/zinc/71/98/76/1090719876.db2.gz PZHKSXIFLUFAEP-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC001203708822 1090786550 /nfs/dbraw/zinc/78/65/50/1090786550.db2.gz QBSQSGWNWAAIOF-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203904524 1090834254 /nfs/dbraw/zinc/83/42/54/1090834254.db2.gz ZMNOCQNGUUBAGQ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3c(OC)ccc4ccccc43)C[C@H]2C1 ZINC001203991201 1090861296 /nfs/dbraw/zinc/86/12/96/1090861296.db2.gz FHFUSRARMMSTBD-IAGOWNOFSA-N 2 1 310.441 3.232 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@H]2C1 ZINC001204089266 1090899125 /nfs/dbraw/zinc/89/91/25/1090899125.db2.gz LSTOSTDXDYZABR-FPMFFAJLSA-N 2 1 319.499 3.301 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@H]2C1 ZINC001204089266 1090899131 /nfs/dbraw/zinc/89/91/31/1090899131.db2.gz LSTOSTDXDYZABR-FPMFFAJLSA-N 2 1 319.499 3.301 20 0 DGADMP Oc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097189 1090901852 /nfs/dbraw/zinc/90/18/52/1090901852.db2.gz SUBOWBCJNURKRI-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097189 1090901859 /nfs/dbraw/zinc/90/18/59/1090901859.db2.gz SUBOWBCJNURKRI-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097189 1090901862 /nfs/dbraw/zinc/90/18/62/1090901862.db2.gz SUBOWBCJNURKRI-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097189 1090901868 /nfs/dbraw/zinc/90/18/68/1090901868.db2.gz SUBOWBCJNURKRI-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097189 1090901871 /nfs/dbraw/zinc/90/18/71/1090901871.db2.gz SUBOWBCJNURKRI-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP C([C@@H]1CCCCO1)[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276444322 1090908310 /nfs/dbraw/zinc/90/83/10/1090908310.db2.gz RRKKVEFOHPJLDC-SFHVURJKSA-N 2 1 306.494 3.286 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001204152376 1090909792 /nfs/dbraw/zinc/90/97/92/1090909792.db2.gz IGRRDSBTYOYHJW-UHFFFAOYSA-N 2 1 318.461 3.170 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001204152376 1090909794 /nfs/dbraw/zinc/90/97/94/1090909794.db2.gz IGRRDSBTYOYHJW-UHFFFAOYSA-N 2 1 318.461 3.170 20 0 DGADMP c1[nH]nc2cccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c12 ZINC001143095233 1090927691 /nfs/dbraw/zinc/92/76/91/1090927691.db2.gz GRGCVMZJVQFHIG-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1F ZINC001204263238 1090936255 /nfs/dbraw/zinc/93/62/55/1090936255.db2.gz IPYQSWTWIRFGML-CRAIPNDOSA-N 2 1 308.441 3.197 20 0 DGADMP CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204398293 1090961837 /nfs/dbraw/zinc/96/18/37/1090961837.db2.gz YPECKYNHFLKMSP-PKOBYXMFSA-N 2 1 316.489 3.137 20 0 DGADMP CCN1CCO[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204398293 1090961840 /nfs/dbraw/zinc/96/18/40/1090961840.db2.gz YPECKYNHFLKMSP-PKOBYXMFSA-N 2 1 316.489 3.137 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1F)CC2 ZINC001204477436 1090978702 /nfs/dbraw/zinc/97/87/02/1090978702.db2.gz LUMRONMXPDQUNT-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(F)c2C)C1 ZINC001204514067 1090987603 /nfs/dbraw/zinc/98/76/03/1090987603.db2.gz PUAASHDCBZLXHL-MRXNPFEDSA-N 2 1 300.377 3.491 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(F)c2C)C1 ZINC001204514067 1090987607 /nfs/dbraw/zinc/98/76/07/1090987607.db2.gz PUAASHDCBZLXHL-MRXNPFEDSA-N 2 1 300.377 3.491 20 0 DGADMP CN1CC[NH+](Cc2cccc(Nc3cc[nH+]c(C4CC4)c3)c2)CC1 ZINC001204519010 1090989302 /nfs/dbraw/zinc/98/93/02/1090989302.db2.gz ZRSIRPQFRBZGKS-UHFFFAOYSA-N 2 1 322.456 3.450 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001204665284 1091014718 /nfs/dbraw/zinc/01/47/18/1091014718.db2.gz FWWJYTVHIKXPBE-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3ccccc3OC)C2)CC1 ZINC001204690047 1091017769 /nfs/dbraw/zinc/01/77/69/1091017769.db2.gz KYNDWFNUQLNHKM-KRWDZBQOSA-N 2 1 302.462 3.216 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742150 1091027026 /nfs/dbraw/zinc/02/70/26/1091027026.db2.gz ISCKLBROOVVFOK-UHFFFAOYSA-N 2 1 317.477 3.143 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)cc2)cc1 ZINC001204755810 1091032072 /nfs/dbraw/zinc/03/20/72/1091032072.db2.gz IUXHSSKLHFZUNU-FQEVSTJZSA-N 2 1 310.441 3.212 20 0 DGADMP Cc1c(C[N@H+]2CCO[C@H](CC[NH3+])C2)cccc1-c1ccccc1 ZINC001204756632 1091032147 /nfs/dbraw/zinc/03/21/47/1091032147.db2.gz QZVFJXPYDYONPJ-LJQANCHMSA-N 2 1 310.441 3.212 20 0 DGADMP CC1(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC001204877163 1091052473 /nfs/dbraw/zinc/05/24/73/1091052473.db2.gz AMNBVRBDTQTEGB-LJQANCHMSA-N 2 1 309.457 3.283 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCCCCCCC(=O)OC)C1 ZINC001205001719 1091080478 /nfs/dbraw/zinc/08/04/78/1091080478.db2.gz XIVXNNWTBYFJKJ-QGZVFWFLSA-N 2 1 312.498 3.212 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094852 1091101228 /nfs/dbraw/zinc/10/12/28/1091101228.db2.gz RGPAZEBPIOUEGE-MSOLQXFVSA-N 2 1 308.510 3.467 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001205130678 1091109175 /nfs/dbraw/zinc/10/91/75/1091109175.db2.gz LIHOGAZURASBGD-GXTWGEPZSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205135926 1091110093 /nfs/dbraw/zinc/11/00/93/1091110093.db2.gz HIMPQBRTGRRKEL-QFBILLFUSA-N 2 1 310.441 3.292 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205140541 1091110763 /nfs/dbraw/zinc/11/07/63/1091110763.db2.gz MQQAIMYZAIGUFW-UONOGXRCSA-N 2 1 303.837 3.157 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C[C@H]1C[NH3+] ZINC001205156186 1091114815 /nfs/dbraw/zinc/11/48/15/1091114815.db2.gz QNIXXZGHIRHOBF-XJKSGUPXSA-N 2 1 315.848 3.429 20 0 DGADMP Cc1c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cccc1-c1ccccc1 ZINC001205247886 1091147487 /nfs/dbraw/zinc/14/74/87/1091147487.db2.gz KQIUDRCUKUCTGH-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2sc(Cl)c3ccccc32)CC1 ZINC001205255150 1091152149 /nfs/dbraw/zinc/15/21/49/1091152149.db2.gz HLKYHALEHMFLTN-INIZCTEOSA-N 2 1 324.877 3.230 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205281056 1091163716 /nfs/dbraw/zinc/16/37/16/1091163716.db2.gz OXUFGEVQTCMZOK-LJQANCHMSA-N 2 1 318.461 3.345 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303293 1091172690 /nfs/dbraw/zinc/17/26/90/1091172690.db2.gz CCLKQZUEPUVGHM-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303293 1091172695 /nfs/dbraw/zinc/17/26/95/1091172695.db2.gz CCLKQZUEPUVGHM-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304309 1091175353 /nfs/dbraw/zinc/17/53/53/1091175353.db2.gz NPMMSQJYFOXQGH-NVXWUHKLSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304309 1091175356 /nfs/dbraw/zinc/17/53/56/1091175356.db2.gz NPMMSQJYFOXQGH-NVXWUHKLSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205305947 1091177531 /nfs/dbraw/zinc/17/75/31/1091177531.db2.gz URVHFBQGASCBST-DOMZBBRYSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205305947 1091177538 /nfs/dbraw/zinc/17/75/38/1091177538.db2.gz URVHFBQGASCBST-DOMZBBRYSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC001205316513 1091182299 /nfs/dbraw/zinc/18/22/99/1091182299.db2.gz KHCXMLGAJSEOJD-NVXWUHKLSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC001205318976 1091184070 /nfs/dbraw/zinc/18/40/70/1091184070.db2.gz XKCMHPAWDJMSPG-KGLIPLIRSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC001205318976 1091184074 /nfs/dbraw/zinc/18/40/74/1091184074.db2.gz XKCMHPAWDJMSPG-KGLIPLIRSA-N 2 1 301.459 3.227 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205319025 1091184162 /nfs/dbraw/zinc/18/41/62/1091184162.db2.gz XTJCDHJPSDWJFJ-DGCLKSJQSA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205319025 1091184167 /nfs/dbraw/zinc/18/41/67/1091184167.db2.gz XTJCDHJPSDWJFJ-DGCLKSJQSA-N 2 1 316.367 3.131 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCC)cc3C)C[C@@H]2C1 ZINC001138437398 1091184822 /nfs/dbraw/zinc/18/48/22/1091184822.db2.gz VZAGJRPPJAPRHI-ROUUACIJSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001205340545 1091192601 /nfs/dbraw/zinc/19/26/01/1091192601.db2.gz XFCMWKLCHIJBDT-WMLDXEAASA-N 2 1 324.415 3.021 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001205340546 1091192739 /nfs/dbraw/zinc/19/27/39/1091192739.db2.gz XFCMWKLCHIJBDT-YOEHRIQHSA-N 2 1 324.415 3.021 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)s2)C1 ZINC001138494800 1091205734 /nfs/dbraw/zinc/20/57/34/1091205734.db2.gz LKMRYKVCVDOEIM-AWEZNQCLSA-N 2 1 317.458 3.171 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)s2)C1 ZINC001138494800 1091205745 /nfs/dbraw/zinc/20/57/45/1091205745.db2.gz LKMRYKVCVDOEIM-AWEZNQCLSA-N 2 1 317.458 3.171 20 0 DGADMP CC[C@@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001205435250 1091221531 /nfs/dbraw/zinc/22/15/31/1091221531.db2.gz ZXBMUMHGMHIPHZ-ICSRJNTNSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1 ZINC001138544525 1091222524 /nfs/dbraw/zinc/22/25/24/1091222524.db2.gz KTKVWDBWHSINJU-ZBFHGGJFSA-N 2 1 303.356 3.268 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1 ZINC001138544525 1091222535 /nfs/dbraw/zinc/22/25/35/1091222535.db2.gz KTKVWDBWHSINJU-ZBFHGGJFSA-N 2 1 303.356 3.268 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001205559447 1091252812 /nfs/dbraw/zinc/25/28/12/1091252812.db2.gz QYUZVQHZZRRNBH-GOSISDBHSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2N2CCCCC2)CC1 ZINC001205559601 1091253675 /nfs/dbraw/zinc/25/36/75/1091253675.db2.gz SNYGTGPIJIGVKQ-LJQANCHMSA-N 2 1 319.468 3.330 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559812 1091254875 /nfs/dbraw/zinc/25/48/75/1091254875.db2.gz UXTAAZQNRHFTPN-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205571891 1091259616 /nfs/dbraw/zinc/25/96/16/1091259616.db2.gz YYCQNAKAPYSJNC-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP CCOc1ccc(F)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205570795 1091260142 /nfs/dbraw/zinc/26/01/42/1091260142.db2.gz PCCKRRILCJQHOM-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205570795 1091260148 /nfs/dbraw/zinc/26/01/48/1091260148.db2.gz PCCKRRILCJQHOM-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205581353 1091264466 /nfs/dbraw/zinc/26/44/66/1091264466.db2.gz SSCVYEIZIFWMGB-OAHLLOKOSA-N 2 1 320.330 3.080 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC(C)C)c1 ZINC001205581495 1091264906 /nfs/dbraw/zinc/26/49/06/1091264906.db2.gz URCSWGPJMHFCFF-SFHVURJKSA-N 2 1 324.440 3.135 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592325 1091270112 /nfs/dbraw/zinc/27/01/12/1091270112.db2.gz SSKCUEHXLVMBNN-SFHVURJKSA-N 2 1 308.441 3.435 20 0 DGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c12 ZINC001205592361 1091270378 /nfs/dbraw/zinc/27/03/78/1091270378.db2.gz UKOOBPVVPQVFDX-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001205592286 1091270591 /nfs/dbraw/zinc/27/05/91/1091270591.db2.gz RQFFXSAGFBWBDO-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP CCCn1ncc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1C ZINC001138641012 1091271558 /nfs/dbraw/zinc/27/15/58/1091271558.db2.gz GFZNLRYYPMPHJM-UHFFFAOYSA-N 2 1 318.509 3.440 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)cc2c1 ZINC001205618095 1091283706 /nfs/dbraw/zinc/28/37/06/1091283706.db2.gz RISLRSKVRKPPQU-KGLIPLIRSA-N 2 1 302.418 3.248 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205618445 1091284407 /nfs/dbraw/zinc/28/44/07/1091284407.db2.gz WBNJEFOKFREYPC-VXGBXAGGSA-N 2 1 316.367 3.234 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(CC)c1O ZINC001205626634 1091287019 /nfs/dbraw/zinc/28/70/19/1091287019.db2.gz HJLUMTHHXSWLRP-KBXCAEBGSA-N 2 1 304.478 3.324 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205628311 1091287982 /nfs/dbraw/zinc/28/79/82/1091287982.db2.gz UXJJCIZVDUEWIF-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(N3CCCC3)c2)CC[C@H]1C[NH3+] ZINC001205638439 1091292152 /nfs/dbraw/zinc/29/21/52/1091292152.db2.gz NVXMGBQTWRICME-WMZOPIPTSA-N 2 1 301.478 3.094 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)ccc2s1 ZINC001205638874 1091292870 /nfs/dbraw/zinc/29/28/70/1091292870.db2.gz SSDBQIGZFHZXTB-SWLSCSKDSA-N 2 1 303.475 3.412 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C[NH3+] ZINC001205651106 1091296550 /nfs/dbraw/zinc/29/65/50/1091296550.db2.gz AEWJGKXUTDTSJX-KGLIPLIRSA-N 2 1 301.409 3.181 20 0 DGADMP COc1cc(F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205653255 1091298567 /nfs/dbraw/zinc/29/85/67/1091298567.db2.gz SIOPAEDUEGRBNQ-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1C ZINC001138728329 1091305208 /nfs/dbraw/zinc/30/52/08/1091305208.db2.gz GWPGFMUEWDMGIQ-UHFFFAOYSA-N 2 1 304.478 3.394 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)cc2)cc1 ZINC001205682725 1091311004 /nfs/dbraw/zinc/31/10/04/1091311004.db2.gz UAHPACFGXRVZHS-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)cc2)c1 ZINC001205689242 1091314079 /nfs/dbraw/zinc/31/40/79/1091314079.db2.gz MUJXDHLHBMGCOF-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001138768665 1091323200 /nfs/dbraw/zinc/32/32/00/1091323200.db2.gz AJZFFASPWSAHND-MSOLQXFVSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC001138773173 1091325080 /nfs/dbraw/zinc/32/50/80/1091325080.db2.gz UNDJIBAOUYHECP-UHFFFAOYSA-N 2 1 312.404 3.104 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC001205734019 1091325623 /nfs/dbraw/zinc/32/56/23/1091325623.db2.gz AZJRMOSJEGWYKH-ZDUSSCGKSA-N 2 1 322.321 3.164 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC001205734019 1091325632 /nfs/dbraw/zinc/32/56/32/1091325632.db2.gz AZJRMOSJEGWYKH-ZDUSSCGKSA-N 2 1 322.321 3.164 20 0 DGADMP C[C@]1(F)CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001205851937 1091379437 /nfs/dbraw/zinc/37/94/37/1091379437.db2.gz DCSPHGUOZMBUPX-IBGZPJMESA-N 2 1 315.436 3.459 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856715 1091382366 /nfs/dbraw/zinc/38/23/66/1091382366.db2.gz XZHWEMFCYDMDKA-QAPCUYQASA-N 2 1 302.462 3.140 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856715 1091382378 /nfs/dbraw/zinc/38/23/78/1091382378.db2.gz XZHWEMFCYDMDKA-QAPCUYQASA-N 2 1 302.462 3.140 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001205904655 1091401686 /nfs/dbraw/zinc/40/16/86/1091401686.db2.gz WELGKNIMMJJGRD-HUUCEWRRSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccn1-c1ccccc1F ZINC001205904655 1091401693 /nfs/dbraw/zinc/40/16/93/1091401693.db2.gz WELGKNIMMJJGRD-HUUCEWRRSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001205903685 1091402269 /nfs/dbraw/zinc/40/22/69/1091402269.db2.gz QSADJVDWEYVNJD-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001205904189 1091402354 /nfs/dbraw/zinc/40/23/54/1091402354.db2.gz SRJPNPBPSPXFNK-ZFWWWQNUSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904911 1091403626 /nfs/dbraw/zinc/40/36/26/1091403626.db2.gz YIVGXLCCPRPROQ-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904911 1091403630 /nfs/dbraw/zinc/40/36/30/1091403630.db2.gz YIVGXLCCPRPROQ-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915856 1091408834 /nfs/dbraw/zinc/40/88/34/1091408834.db2.gz RACJRABQBBUXLC-NVXWUHKLSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915856 1091408840 /nfs/dbraw/zinc/40/88/40/1091408840.db2.gz RACJRABQBBUXLC-NVXWUHKLSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205914756 1091409796 /nfs/dbraw/zinc/40/97/96/1091409796.db2.gz NFLSTHWSLOQCOY-DOMZBBRYSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916235 1091412068 /nfs/dbraw/zinc/41/20/68/1091412068.db2.gz TYDJMXGFBAOTIP-KBPBESRZSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916235 1091412077 /nfs/dbraw/zinc/41/20/77/1091412077.db2.gz TYDJMXGFBAOTIP-KBPBESRZSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923940 1091414868 /nfs/dbraw/zinc/41/48/68/1091414868.db2.gz QRLLJJNNNMYARJ-OLZOCXBDSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923940 1091414875 /nfs/dbraw/zinc/41/48/75/1091414875.db2.gz QRLLJJNNNMYARJ-OLZOCXBDSA-N 2 1 303.837 3.447 20 0 DGADMP CC(C)C[N@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001205922775 1091415564 /nfs/dbraw/zinc/41/55/64/1091415564.db2.gz ABKWWTNZHPCXQD-UHFFFAOYSA-N 2 1 315.486 3.447 20 0 DGADMP CC(C)C[N@@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001205922775 1091415573 /nfs/dbraw/zinc/41/55/73/1091415573.db2.gz ABKWWTNZHPCXQD-UHFFFAOYSA-N 2 1 315.486 3.447 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cncc2Cl)CCC[C@H]1C[NH3+] ZINC001205996420 1091441429 /nfs/dbraw/zinc/44/14/29/1091441429.db2.gz WWMRQZPPSFJRGF-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)cncc2Cl)CCC[C@@H]1C[NH3+] ZINC001205996422 1091441576 /nfs/dbraw/zinc/44/15/76/1091441576.db2.gz WWMRQZPPSFJRGF-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205996165 1091441795 /nfs/dbraw/zinc/44/17/95/1091441795.db2.gz VPJZUMCOAQKXHN-OCCSQVGLSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3cccnc3cc2F)CCC[C@H]1C[NH3+] ZINC001206003569 1091445987 /nfs/dbraw/zinc/44/59/87/1091445987.db2.gz JUKTVQALJDFIDJ-ZFWWWQNUSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3cc(F)ccc3n2)CCC[C@@H]1C[NH3+] ZINC001206003636 1091446184 /nfs/dbraw/zinc/44/61/84/1091446184.db2.gz KNPWPDKIUBZTHI-UKRRQHHQSA-N 2 1 301.409 3.181 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001206013511 1091449264 /nfs/dbraw/zinc/44/92/64/1091449264.db2.gz RUFLMROUVDAEPS-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206012342 1091449613 /nfs/dbraw/zinc/44/96/13/1091449613.db2.gz KRPDLLJLCPEYDN-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013169 1091449823 /nfs/dbraw/zinc/44/98/23/1091449823.db2.gz PVLVYHUUEFUUMT-CRAIPNDOSA-N 2 1 324.472 3.259 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206011555 1091450032 /nfs/dbraw/zinc/45/00/32/1091450032.db2.gz DQMLZBIVCKNKCQ-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CCC[C@@H]1C[NH3+] ZINC001206012332 1091450200 /nfs/dbraw/zinc/45/02/00/1091450200.db2.gz KPZQBCAUNPQLQP-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206014030 1091451682 /nfs/dbraw/zinc/45/16/82/1091451682.db2.gz VFXFCFMATGUSIQ-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccnc3c(F)cccc23)CCC[C@H]1C[NH3+] ZINC001206014505 1091451775 /nfs/dbraw/zinc/45/17/75/1091451775.db2.gz XBUFRMIJVIHVFV-KBPBESRZSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2F)CCC[C@H]1C[NH3+] ZINC001206026426 1091456753 /nfs/dbraw/zinc/45/67/53/1091456753.db2.gz RXPBOQPPCNKXAC-NEPJUHHUSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2C2CCOCC2)CCC[C@H]1C[NH3+] ZINC001206026008 1091457911 /nfs/dbraw/zinc/45/79/11/1091457911.db2.gz QLFZLYQRPRIIKE-WMZOPIPTSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CCC[C@@H]1C[NH3+] ZINC001206036053 1091462908 /nfs/dbraw/zinc/46/29/08/1091462908.db2.gz FUGIMBFLYNJBRW-DZGCQCFKSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206035750 1091462992 /nfs/dbraw/zinc/46/29/92/1091462992.db2.gz DLMWGNJXODZXCT-OLZOCXBDSA-N 2 1 320.868 3.034 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CCC[C@H]1C[NH3+] ZINC001206036059 1091463064 /nfs/dbraw/zinc/46/30/64/1091463064.db2.gz FUGIMBFLYNJBRW-ZFWWWQNUSA-N 2 1 317.408 3.288 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001206084942 1091484952 /nfs/dbraw/zinc/48/49/52/1091484952.db2.gz QYYHNAAEJMUMMR-MSOLQXFVSA-N 2 1 303.494 3.223 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001206084942 1091484956 /nfs/dbraw/zinc/48/49/56/1091484956.db2.gz QYYHNAAEJMUMMR-MSOLQXFVSA-N 2 1 303.494 3.223 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2nonc12 ZINC001139221561 1091494331 /nfs/dbraw/zinc/49/43/31/1091494331.db2.gz LZFYNGTUVADRPB-MRXNPFEDSA-N 2 1 314.433 3.063 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2nonc12 ZINC001139221561 1091494338 /nfs/dbraw/zinc/49/43/38/1091494338.db2.gz LZFYNGTUVADRPB-MRXNPFEDSA-N 2 1 314.433 3.063 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc2O1 ZINC001206172805 1091519983 /nfs/dbraw/zinc/51/99/83/1091519983.db2.gz CBXBSLAKXONOJB-JKSUJKDBSA-N 2 1 306.425 3.051 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@H]1F ZINC001206197722 1091530443 /nfs/dbraw/zinc/53/04/43/1091530443.db2.gz JBLGGYLMSPUDRL-RTBURBONSA-N 2 1 314.404 3.320 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@H]1F ZINC001206197722 1091530448 /nfs/dbraw/zinc/53/04/48/1091530448.db2.gz JBLGGYLMSPUDRL-RTBURBONSA-N 2 1 314.404 3.320 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206197701 1091530800 /nfs/dbraw/zinc/53/08/00/1091530800.db2.gz JADSYWWXJZZODF-LSDHHAIUSA-N 2 1 308.422 3.171 20 0 DGADMP Oc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC001139356182 1091531691 /nfs/dbraw/zinc/53/16/91/1091531691.db2.gz HOVRHBDFJWJDOE-UHFFFAOYSA-N 2 1 305.381 3.136 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC[C@H]1F ZINC001206214685 1091537877 /nfs/dbraw/zinc/53/78/77/1091537877.db2.gz ZDXWKXDPOSEITD-MSOLQXFVSA-N 2 1 317.383 3.149 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C)c1OC(C)C ZINC001206211751 1091538280 /nfs/dbraw/zinc/53/82/80/1091538280.db2.gz PJLZWTPNNXEUSB-IRXDYDNUSA-N 2 1 308.441 3.352 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cnccn2)cc1 ZINC001139389273 1091541447 /nfs/dbraw/zinc/54/14/47/1091541447.db2.gz PRIQQBLRIMVGOW-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cnccn2)cc1 ZINC001139389273 1091541455 /nfs/dbraw/zinc/54/14/55/1091541455.db2.gz PRIQQBLRIMVGOW-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206269324 1091558742 /nfs/dbraw/zinc/55/87/42/1091558742.db2.gz KJBJLVPECYRRNC-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206269324 1091558750 /nfs/dbraw/zinc/55/87/50/1091558750.db2.gz KJBJLVPECYRRNC-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c2c1 ZINC001206304240 1091568463 /nfs/dbraw/zinc/56/84/63/1091568463.db2.gz ICUYTQLFTZKJFK-GOSISDBHSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001206305114 1091570729 /nfs/dbraw/zinc/57/07/29/1091570729.db2.gz TZLHTNZXQJIGET-MRXNPFEDSA-N 2 1 304.463 3.089 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001206319193 1091577251 /nfs/dbraw/zinc/57/72/51/1091577251.db2.gz ZMMCRRVERRPNSY-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001206318676 1091577264 /nfs/dbraw/zinc/57/72/64/1091577264.db2.gz SPOMSONNCCTWSU-CYBMUJFWSA-N 2 1 317.296 3.462 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001206327068 1091581108 /nfs/dbraw/zinc/58/11/08/1091581108.db2.gz RXVNXVVLHOBXMT-IBGZPJMESA-N 2 1 319.468 3.377 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518608 1091582552 /nfs/dbraw/zinc/58/25/52/1091582552.db2.gz BMOLBABBIQVMRK-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518608 1091582557 /nfs/dbraw/zinc/58/25/57/1091582557.db2.gz BMOLBABBIQVMRK-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518608 1091582567 /nfs/dbraw/zinc/58/25/67/1091582567.db2.gz BMOLBABBIQVMRK-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518608 1091582579 /nfs/dbraw/zinc/58/25/79/1091582579.db2.gz BMOLBABBIQVMRK-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc2)n1 ZINC001206337905 1091585774 /nfs/dbraw/zinc/58/57/74/1091585774.db2.gz WUETZYCPADZPOO-IBGZPJMESA-N 2 1 312.461 3.038 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1OCC ZINC001206549878 1091665041 /nfs/dbraw/zinc/66/50/41/1091665041.db2.gz RPVHJNPFPQPLTB-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP COc1cccc(CCC[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206583751 1091677739 /nfs/dbraw/zinc/67/77/39/1091677739.db2.gz WDEBRPLUFIJJQC-GOSISDBHSA-N 2 1 304.478 3.480 20 0 DGADMP CC(C)[N@@H+](CCc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582429 1091677884 /nfs/dbraw/zinc/67/78/84/1091677884.db2.gz NTXJYTSXRBNMCK-AWEZNQCLSA-N 2 1 314.395 3.499 20 0 DGADMP CCOC(=O)CCCCCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583359 1091678264 /nfs/dbraw/zinc/67/82/64/1091678264.db2.gz TWUBYKXEMXJXRF-KRWDZBQOSA-N 2 1 312.498 3.353 20 0 DGADMP CCN(CC)c1ncc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)s1 ZINC001206591310 1091681810 /nfs/dbraw/zinc/68/18/10/1091681810.db2.gz REAWPYLEVWVIPK-OAHLLOKOSA-N 2 1 324.538 3.342 20 0 DGADMP CCCOc1ncccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206598182 1091684088 /nfs/dbraw/zinc/68/40/88/1091684088.db2.gz IKLVQFAAGOXAHQ-KRWDZBQOSA-N 2 1 305.466 3.223 20 0 DGADMP CCCOc1ncccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206598182 1091684089 /nfs/dbraw/zinc/68/40/89/1091684089.db2.gz IKLVQFAAGOXAHQ-KRWDZBQOSA-N 2 1 305.466 3.223 20 0 DGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206624628 1091693552 /nfs/dbraw/zinc/69/35/52/1091693552.db2.gz XSZIWLQZJLCDHM-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206624628 1091693554 /nfs/dbraw/zinc/69/35/54/1091693554.db2.gz XSZIWLQZJLCDHM-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC001206701325 1091706561 /nfs/dbraw/zinc/70/65/61/1091706561.db2.gz VPBFLUDJKPCEEQ-IBGZPJMESA-N 2 1 302.462 3.154 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(Cc3cccc(Cl)c3)CC2)O1 ZINC001206702401 1091706825 /nfs/dbraw/zinc/70/68/25/1091706825.db2.gz AXZRKUOXDRCQEH-KRWDZBQOSA-N 2 1 322.880 3.319 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[NH+]1CCCCC1 ZINC001206710191 1091708180 /nfs/dbraw/zinc/70/81/80/1091708180.db2.gz WWZJJHCWRUUVIM-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC001206717683 1091710769 /nfs/dbraw/zinc/71/07/69/1091710769.db2.gz ZQVOQYURKCXXDC-SJORKVTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC001206717683 1091710779 /nfs/dbraw/zinc/71/07/79/1091710779.db2.gz ZQVOQYURKCXXDC-SJORKVTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC001206717683 1091710788 /nfs/dbraw/zinc/71/07/88/1091710788.db2.gz ZQVOQYURKCXXDC-SJORKVTESA-N 2 1 302.462 3.139 20 0 DGADMP Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934117 1091717634 /nfs/dbraw/zinc/71/76/34/1091717634.db2.gz DLHCDRZZVYOYGX-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206767424 1091730342 /nfs/dbraw/zinc/73/03/42/1091730342.db2.gz BDVDQEBEVRDEFA-LSDHHAIUSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206767424 1091730345 /nfs/dbraw/zinc/73/03/45/1091730345.db2.gz BDVDQEBEVRDEFA-LSDHHAIUSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001206767903 1091732151 /nfs/dbraw/zinc/73/21/51/1091732151.db2.gz FZGDLLBYHHSYLV-HOCLYGCPSA-N 2 1 302.462 3.349 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206809937 1091749200 /nfs/dbraw/zinc/74/92/00/1091749200.db2.gz MLXHTYUGLINMKK-YPMHNXCESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206809937 1091749193 /nfs/dbraw/zinc/74/91/93/1091749193.db2.gz MLXHTYUGLINMKK-YPMHNXCESA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001206810565 1091749216 /nfs/dbraw/zinc/74/92/16/1091749216.db2.gz OCGHUWMONNNUGU-NEPJUHHUSA-N 2 1 319.836 3.153 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206812187 1091751222 /nfs/dbraw/zinc/75/12/22/1091751222.db2.gz XNYMQROPDWGWBL-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206812187 1091751227 /nfs/dbraw/zinc/75/12/27/1091751227.db2.gz XNYMQROPDWGWBL-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206811647 1091751481 /nfs/dbraw/zinc/75/14/81/1091751481.db2.gz WKQIGMACIWBBLC-RDJZCZTQSA-N 2 1 320.477 3.317 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C[C@H]1CCC[NH+](C)C1 ZINC001276496809 1091761325 /nfs/dbraw/zinc/76/13/25/1091761325.db2.gz MQHWIZCVBXHFPH-LWYYNNOASA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@H]1CCC[N@H+](C)C1 ZINC001276496809 1091761329 /nfs/dbraw/zinc/76/13/29/1091761329.db2.gz MQHWIZCVBXHFPH-LWYYNNOASA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@H]1CCC[N@@H+](C)C1 ZINC001276496809 1091761338 /nfs/dbraw/zinc/76/13/38/1091761338.db2.gz MQHWIZCVBXHFPH-LWYYNNOASA-N 2 1 321.553 3.303 20 0 DGADMP C[N@H+]1CCC[C@H](CN2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498215 1091771195 /nfs/dbraw/zinc/77/11/95/1091771195.db2.gz SUWRQINOAOBGJI-AZUAARDMSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001276498215 1091771202 /nfs/dbraw/zinc/77/12/02/1091771202.db2.gz SUWRQINOAOBGJI-AZUAARDMSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)C1 ZINC001276498215 1091771207 /nfs/dbraw/zinc/77/12/07/1091771207.db2.gz SUWRQINOAOBGJI-AZUAARDMSA-N 2 1 319.537 3.059 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]2C1 ZINC001140169487 1091789444 /nfs/dbraw/zinc/78/94/44/1091789444.db2.gz HYHZTWHTNIRKPE-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]2C1 ZINC001140169487 1091789454 /nfs/dbraw/zinc/78/94/54/1091789454.db2.gz HYHZTWHTNIRKPE-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]2C1 ZINC001140169487 1091789460 /nfs/dbraw/zinc/78/94/60/1091789460.db2.gz HYHZTWHTNIRKPE-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001203032138 1091849683 /nfs/dbraw/zinc/84/96/83/1091849683.db2.gz NRHLDAQRRSEWOH-UYAOXDASSA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001203032138 1091849689 /nfs/dbraw/zinc/84/96/89/1091849689.db2.gz NRHLDAQRRSEWOH-UYAOXDASSA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001203032138 1091849697 /nfs/dbraw/zinc/84/96/97/1091849697.db2.gz NRHLDAQRRSEWOH-UYAOXDASSA-N 2 1 317.521 3.074 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140455256 1091873835 /nfs/dbraw/zinc/87/38/35/1091873835.db2.gz XXRMDQDXVNGBIZ-IYBDPMFKSA-N 2 1 313.470 3.194 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140455256 1091873843 /nfs/dbraw/zinc/87/38/43/1091873843.db2.gz XXRMDQDXVNGBIZ-IYBDPMFKSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140455256 1091873849 /nfs/dbraw/zinc/87/38/49/1091873849.db2.gz XXRMDQDXVNGBIZ-IYBDPMFKSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140455256 1091873857 /nfs/dbraw/zinc/87/38/57/1091873857.db2.gz XXRMDQDXVNGBIZ-IYBDPMFKSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207199387 1091884268 /nfs/dbraw/zinc/88/42/68/1091884268.db2.gz VHCWYJVNRSSSEI-XYVMCAHJSA-N 2 1 304.865 3.327 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199817 1091887152 /nfs/dbraw/zinc/88/71/52/1091887152.db2.gz WJBGTBRAQFJKLP-SZMVWBNQSA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199817 1091887162 /nfs/dbraw/zinc/88/71/62/1091887162.db2.gz WJBGTBRAQFJKLP-SZMVWBNQSA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199817 1091887172 /nfs/dbraw/zinc/88/71/72/1091887172.db2.gz WJBGTBRAQFJKLP-SZMVWBNQSA-N 2 1 304.865 3.471 20 0 DGADMP c1ccc(CN2C[C@@H]3C[N@@H+](CCC4CCCCC4)C[C@@H]3C2)nc1 ZINC001207259688 1091901720 /nfs/dbraw/zinc/90/17/20/1091901720.db2.gz OKKFHBLRJALAEE-KDURUIRLSA-N 2 1 313.489 3.416 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC001207276021 1091906261 /nfs/dbraw/zinc/90/62/61/1091906261.db2.gz SNOUTTQHTGUSLK-UHFFFAOYSA-N 2 1 324.896 3.211 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC[C@@H]1CC=C(C)C1(C)C ZINC001207281347 1091908769 /nfs/dbraw/zinc/90/87/69/1091908769.db2.gz ZQCNKCQJXSCYCY-KRWDZBQOSA-N 2 1 324.509 3.186 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001207286367 1091912991 /nfs/dbraw/zinc/91/29/91/1091912991.db2.gz HPUQJGWYVFAJGR-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP CC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290764 1091914642 /nfs/dbraw/zinc/91/46/42/1091914642.db2.gz BWFTVNVGVJRFIM-FQEVSTJZSA-N 2 1 314.473 3.342 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399896 1091955745 /nfs/dbraw/zinc/95/57/45/1091955745.db2.gz YNPJEFYHWGUUGB-MRXNPFEDSA-N 2 1 320.502 3.203 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140706957 1091967500 /nfs/dbraw/zinc/96/75/00/1091967500.db2.gz RCEBHJSDRVKMLC-GOSISDBHSA-N 2 1 313.445 3.484 20 0 DGADMP c1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCSCC2)cc1 ZINC001207441187 1091968600 /nfs/dbraw/zinc/96/86/00/1091968600.db2.gz VVIUEAQNSATDDP-UHFFFAOYSA-N 2 1 304.503 3.384 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001207483679 1091982553 /nfs/dbraw/zinc/98/25/53/1091982553.db2.gz HDUPSRBHLHCTSA-SFHVURJKSA-N 2 1 319.518 3.370 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001207483672 1091983397 /nfs/dbraw/zinc/98/33/97/1091983397.db2.gz HDUPSRBHLHCTSA-GOSISDBHSA-N 2 1 319.518 3.370 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538668 1092008689 /nfs/dbraw/zinc/00/86/89/1092008689.db2.gz FIPOYJFJUKIUJT-QGZVFWFLSA-N 2 1 316.474 3.056 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001140805645 1092011722 /nfs/dbraw/zinc/01/17/22/1092011722.db2.gz CNVJOXVBZDPJSY-MRXNPFEDSA-N 2 1 308.385 3.001 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001140805645 1092011731 /nfs/dbraw/zinc/01/17/31/1092011731.db2.gz CNVJOXVBZDPJSY-MRXNPFEDSA-N 2 1 308.385 3.001 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001140807116 1092013383 /nfs/dbraw/zinc/01/33/83/1092013383.db2.gz MRKVDBVKGMHCIX-UHFFFAOYSA-N 2 1 322.412 3.139 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001140807116 1092013392 /nfs/dbraw/zinc/01/33/92/1092013392.db2.gz MRKVDBVKGMHCIX-UHFFFAOYSA-N 2 1 322.412 3.139 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207537039 1092016325 /nfs/dbraw/zinc/01/63/25/1092016325.db2.gz MFIBQVZRJROBTG-UHFFFAOYSA-N 2 1 309.457 3.480 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621082 1092044253 /nfs/dbraw/zinc/04/42/53/1092044253.db2.gz YZTSFXHQHDDDKA-NMLBUPMWSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621082 1092044263 /nfs/dbraw/zinc/04/42/63/1092044263.db2.gz YZTSFXHQHDDDKA-NMLBUPMWSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621082 1092044273 /nfs/dbraw/zinc/04/42/73/1092044273.db2.gz YZTSFXHQHDDDKA-NMLBUPMWSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621082 1092044285 /nfs/dbraw/zinc/04/42/85/1092044285.db2.gz YZTSFXHQHDDDKA-NMLBUPMWSA-N 2 1 318.505 3.021 20 0 DGADMP c1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001140931789 1092067659 /nfs/dbraw/zinc/06/76/59/1092067659.db2.gz ROYPQTCDRIWJLY-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP CC[NH+](CC)CC[C@@H](NCC1CC[NH+](C)CC1)c1ccccc1 ZINC001207805967 1092106518 /nfs/dbraw/zinc/10/65/18/1092106518.db2.gz NZIMWRCRAAKBGD-HXUWFJFHSA-N 2 1 317.521 3.391 20 0 DGADMP CCN(CC)CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC001207805967 1092106522 /nfs/dbraw/zinc/10/65/22/1092106522.db2.gz NZIMWRCRAAKBGD-HXUWFJFHSA-N 2 1 317.521 3.391 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001207837625 1092113697 /nfs/dbraw/zinc/11/36/97/1092113697.db2.gz QYCYNKUUAVQVAU-UHOSZYNNSA-N 2 1 300.490 3.456 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC001141042344 1092118782 /nfs/dbraw/zinc/11/87/82/1092118782.db2.gz MXGVUPIQJUPMOO-UHFFFAOYSA-N 2 1 318.461 3.154 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC001141042344 1092118784 /nfs/dbraw/zinc/11/87/84/1092118784.db2.gz MXGVUPIQJUPMOO-UHFFFAOYSA-N 2 1 318.461 3.154 20 0 DGADMP Cc1cc(Cl)ccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001141229998 1092187110 /nfs/dbraw/zinc/18/71/10/1092187110.db2.gz YDOZQPHCSZJKJE-UHFFFAOYSA-N 2 1 321.852 3.278 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)cc1 ZINC001208109155 1092198535 /nfs/dbraw/zinc/19/85/35/1092198535.db2.gz LZGQACQGXOGXQM-QGZVFWFLSA-N 2 1 302.462 3.216 20 0 DGADMP C[NH+]1CCC(C)(C[NH+](Cc2cccnc2)Cc2cccnc2)CC1 ZINC001208107569 1092198883 /nfs/dbraw/zinc/19/88/83/1092198883.db2.gz WDHDUPMWECRENG-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208112127 1092200815 /nfs/dbraw/zinc/20/08/15/1092200815.db2.gz QYZDBDVNPIRRJX-UHFFFAOYSA-N 2 1 312.461 3.036 20 0 DGADMP COc1ccsc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001141323330 1092208493 /nfs/dbraw/zinc/20/84/93/1092208493.db2.gz VVNLJDLLACAURO-UHFFFAOYSA-N 2 1 317.458 3.199 20 0 DGADMP COc1cc(Cl)ncc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001141346573 1092216705 /nfs/dbraw/zinc/21/67/05/1092216705.db2.gz JIJHNIDQPICXHY-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](Cc2ccccc2)CC(C)(C)O)CCCC1 ZINC001208187622 1092247050 /nfs/dbraw/zinc/24/70/50/1092247050.db2.gz LSDRQGDURNGQPY-UHFFFAOYSA-N 2 1 318.505 3.382 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208226358 1092281883 /nfs/dbraw/zinc/28/18/83/1092281883.db2.gz OBUDHXCEMIOFCG-OAHLLOKOSA-N 2 1 318.461 3.010 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4cccnc4cc3F)C2)CC1 ZINC001141630854 1092299453 /nfs/dbraw/zinc/29/94/53/1092299453.db2.gz DXBDVKHEYJSEPN-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453086 1092356690 /nfs/dbraw/zinc/35/66/90/1092356690.db2.gz AHGPPKVPFOZUGN-OAGJVSPASA-N 2 1 323.525 3.044 20 0 DGADMP CSc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC001142031523 1092394498 /nfs/dbraw/zinc/39/44/98/1092394498.db2.gz JIIWRLCDBBOKGC-UHFFFAOYSA-N 2 1 319.499 3.496 20 0 DGADMP CN(CC[NH+]1CCCC1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208591605 1092416117 /nfs/dbraw/zinc/41/61/17/1092416117.db2.gz LSRZKZLYKIGWHZ-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC001208594327 1092418301 /nfs/dbraw/zinc/41/83/01/1092418301.db2.gz NBLJPQFLRLZDNA-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC001208594327 1092418308 /nfs/dbraw/zinc/41/83/08/1092418308.db2.gz NBLJPQFLRLZDNA-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001208599688 1092418695 /nfs/dbraw/zinc/41/86/95/1092418695.db2.gz KRXITSUKNNTHSZ-MRXNPFEDSA-N 2 1 324.415 3.150 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)CC1CC[NH+](CC)CC1 ZINC001208602639 1092422188 /nfs/dbraw/zinc/42/21/88/1092422188.db2.gz KMZPLIVFZCBHAV-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC001208609099 1092424794 /nfs/dbraw/zinc/42/47/94/1092424794.db2.gz UUDLWBNKOLCXKB-WBVHZDCISA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC001208609099 1092424804 /nfs/dbraw/zinc/42/48/04/1092424804.db2.gz UUDLWBNKOLCXKB-WBVHZDCISA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC001208609099 1092424813 /nfs/dbraw/zinc/42/48/13/1092424813.db2.gz UUDLWBNKOLCXKB-WBVHZDCISA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC001208609099 1092424821 /nfs/dbraw/zinc/42/48/21/1092424821.db2.gz UUDLWBNKOLCXKB-WBVHZDCISA-N 2 1 318.461 3.183 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CCc4c3cccc4F)C2)C1 ZINC001208614669 1092427331 /nfs/dbraw/zinc/42/73/31/1092427331.db2.gz MPFIRTXBTOXPKQ-OXQOHEQNSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)C1 ZINC001208614669 1092427335 /nfs/dbraw/zinc/42/73/35/1092427335.db2.gz MPFIRTXBTOXPKQ-OXQOHEQNSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)C1 ZINC001208614669 1092427338 /nfs/dbraw/zinc/42/73/38/1092427338.db2.gz MPFIRTXBTOXPKQ-OXQOHEQNSA-N 2 1 316.464 3.447 20 0 DGADMP COc1cccc(CC2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208616621 1092430293 /nfs/dbraw/zinc/43/02/93/1092430293.db2.gz LXLMGZQWMKRVDE-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCc4ccccc4O3)CC2)C1 ZINC001208618535 1092430777 /nfs/dbraw/zinc/43/07/77/1092430777.db2.gz YESFOZRNVJRXPI-QGZVFWFLSA-N 2 1 314.473 3.188 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(n3cnc4ccccc43)CC2)C1 ZINC001208616290 1092431691 /nfs/dbraw/zinc/43/16/91/1092431691.db2.gz ZWDLNMSZAJOERV-MRXNPFEDSA-N 2 1 312.461 3.015 20 0 DGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](CCC4CC4)CC3)C2)c1 ZINC001208680592 1092451722 /nfs/dbraw/zinc/45/17/22/1092451722.db2.gz FZNGUYUZNHGEIV-UHFFFAOYSA-N 2 1 320.502 3.215 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208787663 1092506832 /nfs/dbraw/zinc/50/68/32/1092506832.db2.gz KTSAODKQTNNWJA-ROUUACIJSA-N 2 1 324.509 3.306 20 0 DGADMP CC(C)(C)CC(C)(C)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001169052106 1092509297 /nfs/dbraw/zinc/50/92/97/1092509297.db2.gz JDFOEZMOVOQYSQ-UHFFFAOYSA-N 2 1 305.470 3.031 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001169102311 1092531414 /nfs/dbraw/zinc/53/14/14/1092531414.db2.gz ZMMYACPWFRJNDT-IVSAIRAKSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC001169081521 1092536253 /nfs/dbraw/zinc/53/62/53/1092536253.db2.gz SHQNGNDJSDURQF-CNDDSTCGSA-N 2 1 315.280 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC001169081521 1092536265 /nfs/dbraw/zinc/53/62/65/1092536265.db2.gz SHQNGNDJSDURQF-CNDDSTCGSA-N 2 1 315.280 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001169123051 1092545260 /nfs/dbraw/zinc/54/52/60/1092545260.db2.gz IGZHBKMCHQWGBL-RSPOEFSDSA-N 2 1 317.521 3.022 20 0 DGADMP CC1(C)C[C@H](Nc2nc(NCC3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169136210 1092549340 /nfs/dbraw/zinc/54/93/40/1092549340.db2.gz FGXAUMOICRVLFX-KBXCAEBGSA-N 2 1 317.481 3.254 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccns1)Cc1ccccc12 ZINC001276591680 1092554214 /nfs/dbraw/zinc/55/42/14/1092554214.db2.gz TUUMOIWBDRFCRS-UHFFFAOYSA-N 2 1 313.470 3.122 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccns1)Cc1ccccc12 ZINC001276591680 1092554226 /nfs/dbraw/zinc/55/42/26/1092554226.db2.gz TUUMOIWBDRFCRS-UHFFFAOYSA-N 2 1 313.470 3.122 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@@H]1c1ccccc1)C2 ZINC001169141258 1092555708 /nfs/dbraw/zinc/55/57/08/1092555708.db2.gz PFOZCWNRCFCOAS-XMTFNYHQSA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCSC[C@@H]1c1ccccc1)C2 ZINC001169141258 1092555715 /nfs/dbraw/zinc/55/57/15/1092555715.db2.gz PFOZCWNRCFCOAS-XMTFNYHQSA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCSC[C@@H]1c1ccccc1)C2 ZINC001169141258 1092555720 /nfs/dbraw/zinc/55/57/20/1092555720.db2.gz PFOZCWNRCFCOAS-XMTFNYHQSA-N 2 1 302.487 3.402 20 0 DGADMP COCCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169115327 1092556828 /nfs/dbraw/zinc/55/68/28/1092556828.db2.gz IPIRZFXAFRUBSD-QKDCVEJESA-N 2 1 316.436 3.186 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148051 1092562808 /nfs/dbraw/zinc/56/28/08/1092562808.db2.gz XJPFXGPAOAMFHG-PMOLBWCYSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148051 1092562815 /nfs/dbraw/zinc/56/28/15/1092562815.db2.gz XJPFXGPAOAMFHG-PMOLBWCYSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148051 1092562825 /nfs/dbraw/zinc/56/28/25/1092562825.db2.gz XJPFXGPAOAMFHG-PMOLBWCYSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148051 1092562837 /nfs/dbraw/zinc/56/28/37/1092562837.db2.gz XJPFXGPAOAMFHG-PMOLBWCYSA-N 2 1 314.473 3.293 20 0 DGADMP COc1ccc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169140470 1092575450 /nfs/dbraw/zinc/57/54/50/1092575450.db2.gz KDFMITLFHGXJKT-BWTSREIZSA-N 2 1 314.473 3.500 20 0 DGADMP c1ccc(N2CCC(C[NH+]3CCC([NH+]4CCC4)CC3)CC2)cc1 ZINC001208915538 1092582710 /nfs/dbraw/zinc/58/27/10/1092582710.db2.gz HYMLXOXIYJGCEA-UHFFFAOYSA-N 2 1 313.489 3.073 20 0 DGADMP CO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932049 1092595771 /nfs/dbraw/zinc/59/57/71/1092595771.db2.gz NRFAGHQXJLXNDU-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932049 1092595777 /nfs/dbraw/zinc/59/57/77/1092595777.db2.gz NRFAGHQXJLXNDU-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932049 1092595788 /nfs/dbraw/zinc/59/57/88/1092595788.db2.gz NRFAGHQXJLXNDU-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208941567 1092602075 /nfs/dbraw/zinc/60/20/75/1092602075.db2.gz BICSQNDWMJHJOW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208941567 1092602081 /nfs/dbraw/zinc/60/20/81/1092602081.db2.gz BICSQNDWMJHJOW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208941567 1092602088 /nfs/dbraw/zinc/60/20/88/1092602088.db2.gz BICSQNDWMJHJOW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940636 1092604138 /nfs/dbraw/zinc/60/41/38/1092604138.db2.gz TZPGJEQHYQTTDJ-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940636 1092604144 /nfs/dbraw/zinc/60/41/44/1092604144.db2.gz TZPGJEQHYQTTDJ-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940636 1092604149 /nfs/dbraw/zinc/60/41/49/1092604149.db2.gz TZPGJEQHYQTTDJ-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943797 1092606415 /nfs/dbraw/zinc/60/64/15/1092606415.db2.gz UXPQNONXMTVQPY-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943797 1092606420 /nfs/dbraw/zinc/60/64/20/1092606420.db2.gz UXPQNONXMTVQPY-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943797 1092606422 /nfs/dbraw/zinc/60/64/22/1092606422.db2.gz UXPQNONXMTVQPY-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP CC[NH+]1CCC(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001169263612 1092607274 /nfs/dbraw/zinc/60/72/74/1092607274.db2.gz BZEPKYXZLDKUGT-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CCCO4)CC3)C2)cc1 ZINC001208949580 1092607736 /nfs/dbraw/zinc/60/77/36/1092607736.db2.gz LRCZXHIPZUMNFQ-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)c12 ZINC001143090201 1092612048 /nfs/dbraw/zinc/61/20/48/1092612048.db2.gz MRWVOVRCWWUKEK-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)c12 ZINC001143090201 1092612053 /nfs/dbraw/zinc/61/20/53/1092612053.db2.gz MRWVOVRCWWUKEK-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208965023 1092612425 /nfs/dbraw/zinc/61/24/25/1092612425.db2.gz VJNOVUUQBNTPRM-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208965023 1092612431 /nfs/dbraw/zinc/61/24/31/1092612431.db2.gz VJNOVUUQBNTPRM-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208965023 1092612436 /nfs/dbraw/zinc/61/24/36/1092612436.db2.gz VJNOVUUQBNTPRM-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+]1CCC([NH2+]C2(Cc3cccc(OC)c3)CCC2)CC1 ZINC001169242127 1092613774 /nfs/dbraw/zinc/61/37/74/1092613774.db2.gz XBLSKHDYJWVWLR-UHFFFAOYSA-N 2 1 302.462 3.234 20 0 DGADMP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cnsc4)(C2)CCC3)c1 ZINC001276605040 1092616496 /nfs/dbraw/zinc/61/64/96/1092616496.db2.gz XZNRVDLQHFJHJP-SJORKVTESA-N 2 1 316.474 3.196 20 0 DGADMP CCC[N@@H+](CCC[NH3+])C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169273949 1092622432 /nfs/dbraw/zinc/62/24/32/1092622432.db2.gz DDSAMWGTGJXYTN-UHFFFAOYSA-N 2 1 318.461 3.215 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC001169261210 1092622660 /nfs/dbraw/zinc/62/26/60/1092622660.db2.gz DNKDFMSFIBSJDH-UHFFFAOYSA-N 3 1 321.553 3.305 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169290579 1092630517 /nfs/dbraw/zinc/63/05/17/1092630517.db2.gz HMGQLOKCAQIDHD-UHFFFAOYSA-N 2 1 318.461 3.038 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001169268585 1092632258 /nfs/dbraw/zinc/63/22/58/1092632258.db2.gz MKURQTCVXGOZSV-UHFFFAOYSA-N 2 1 312.461 3.158 20 0 DGADMP COCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209052593 1092635847 /nfs/dbraw/zinc/63/58/47/1092635847.db2.gz VTNAFUHXLXHWEZ-JQHSSLGASA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209052593 1092635853 /nfs/dbraw/zinc/63/58/53/1092635853.db2.gz VTNAFUHXLXHWEZ-JQHSSLGASA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209052593 1092635856 /nfs/dbraw/zinc/63/58/56/1092635856.db2.gz VTNAFUHXLXHWEZ-JQHSSLGASA-N 2 1 322.518 3.317 20 0 DGADMP CCOC(C)(C)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209066309 1092640197 /nfs/dbraw/zinc/64/01/97/1092640197.db2.gz DGRREMLJMKXXLH-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP CCOC(C)(C)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209066309 1092640199 /nfs/dbraw/zinc/64/01/99/1092640199.db2.gz DGRREMLJMKXXLH-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082276 1092644911 /nfs/dbraw/zinc/64/49/11/1092644911.db2.gz ZNASIXKCVDDHCI-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082276 1092644914 /nfs/dbraw/zinc/64/49/14/1092644914.db2.gz ZNASIXKCVDDHCI-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082276 1092644918 /nfs/dbraw/zinc/64/49/18/1092644918.db2.gz ZNASIXKCVDDHCI-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001209119796 1092659565 /nfs/dbraw/zinc/65/95/65/1092659565.db2.gz UUZOYVGBVGMUSJ-UHFFFAOYSA-N 2 1 309.335 3.003 20 0 DGADMP FC(F)(F)c1cccc(CC[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001209119796 1092659570 /nfs/dbraw/zinc/65/95/70/1092659570.db2.gz UUZOYVGBVGMUSJ-UHFFFAOYSA-N 2 1 309.335 3.003 20 0 DGADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169459576 1092704198 /nfs/dbraw/zinc/70/41/98/1092704198.db2.gz QVZHWXOCTZIVBF-JFIYKMOQSA-N 2 1 323.525 3.148 20 0 DGADMP COC(C)(C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209403724 1092759950 /nfs/dbraw/zinc/75/99/50/1092759950.db2.gz RVOTZBHDNPAYHI-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP COC(C)(C)CC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209409050 1092761151 /nfs/dbraw/zinc/76/11/51/1092761151.db2.gz PQYZRLDQKHSOJG-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP COC(C)(C)CC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209409050 1092761158 /nfs/dbraw/zinc/76/11/58/1092761158.db2.gz PQYZRLDQKHSOJG-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC001209413342 1092763853 /nfs/dbraw/zinc/76/38/53/1092763853.db2.gz KFNGXCCRMGNRGA-YOEHRIQHSA-N 2 1 317.477 3.378 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209451449 1092779136 /nfs/dbraw/zinc/77/91/36/1092779136.db2.gz ZKSVAGWFCGBUAE-MRXNPFEDSA-N 2 1 320.481 3.078 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209451449 1092779143 /nfs/dbraw/zinc/77/91/43/1092779143.db2.gz ZKSVAGWFCGBUAE-MRXNPFEDSA-N 2 1 320.481 3.078 20 0 DGADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646894 1092795679 /nfs/dbraw/zinc/79/56/79/1092795679.db2.gz OZJCUGOLQYGTKP-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646894 1092795689 /nfs/dbraw/zinc/79/56/89/1092795689.db2.gz OZJCUGOLQYGTKP-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646894 1092795693 /nfs/dbraw/zinc/79/56/93/1092795693.db2.gz OZJCUGOLQYGTKP-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646894 1092795703 /nfs/dbraw/zinc/79/57/03/1092795703.db2.gz OZJCUGOLQYGTKP-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646894 1092795711 /nfs/dbraw/zinc/79/57/11/1092795711.db2.gz OZJCUGOLQYGTKP-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209560961 1092823518 /nfs/dbraw/zinc/82/35/18/1092823518.db2.gz KJIURNXVKAYHFK-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001209587415 1092838956 /nfs/dbraw/zinc/83/89/56/1092838956.db2.gz SLUMTOISMPWTOK-UHFFFAOYSA-N 2 1 312.461 3.322 20 0 DGADMP C[NH+](C)CC(C)(C)CN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276658869 1092848252 /nfs/dbraw/zinc/84/82/52/1092848252.db2.gz YTNDNLWFDWTHLR-HXUWFJFHSA-N 2 1 321.553 3.305 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276658736 1092853365 /nfs/dbraw/zinc/85/33/65/1092853365.db2.gz VCXLDDDBYLAZBH-HDICACEKSA-N 3 1 321.553 3.161 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276658736 1092853378 /nfs/dbraw/zinc/85/33/78/1092853378.db2.gz VCXLDDDBYLAZBH-HDICACEKSA-N 2 1 321.553 3.161 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276658736 1092853384 /nfs/dbraw/zinc/85/33/84/1092853384.db2.gz VCXLDDDBYLAZBH-HDICACEKSA-N 2 1 321.553 3.161 20 0 DGADMP CN(C)CC(C)(C)C[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276658736 1092853396 /nfs/dbraw/zinc/85/33/96/1092853396.db2.gz VCXLDDDBYLAZBH-HDICACEKSA-N 2 1 321.553 3.161 20 0 DGADMP CN(C)CC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276658736 1092853401 /nfs/dbraw/zinc/85/34/01/1092853401.db2.gz VCXLDDDBYLAZBH-HDICACEKSA-N 2 1 321.553 3.161 20 0 DGADMP CN(C)CC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276658736 1092853412 /nfs/dbraw/zinc/85/34/12/1092853412.db2.gz VCXLDDDBYLAZBH-HDICACEKSA-N 2 1 321.553 3.161 20 0 DGADMP CN(C)CC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276658736 1092853421 /nfs/dbraw/zinc/85/34/21/1092853421.db2.gz VCXLDDDBYLAZBH-HDICACEKSA-N 2 1 321.553 3.161 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637517 1092859717 /nfs/dbraw/zinc/85/97/17/1092859717.db2.gz GZIGONVQOGUWMM-HNNXBMFYSA-N 2 1 317.820 3.400 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637517 1092859720 /nfs/dbraw/zinc/85/97/20/1092859720.db2.gz GZIGONVQOGUWMM-HNNXBMFYSA-N 2 1 317.820 3.400 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001206639404 1092869417 /nfs/dbraw/zinc/86/94/17/1092869417.db2.gz CPQSOFSYPHINBX-OAHLLOKOSA-N 2 1 313.420 3.449 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc4cc(OC)ccc4o3)C[C@@H]2C1 ZINC001209774858 1092912920 /nfs/dbraw/zinc/91/29/20/1092912920.db2.gz UTIJWCWXSLZTIG-HOTGVXAUSA-N 2 1 314.429 3.215 20 0 DGADMP c1cc2cc(Nc3cc[nH+]c(N4CCOCC4)c3)ccc2c[nH+]1 ZINC001210046560 1093026753 /nfs/dbraw/zinc/02/67/53/1093026753.db2.gz GMRXSOHELWXTRK-UHFFFAOYSA-N 2 1 306.369 3.210 20 0 DGADMP Fc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)c1Cl ZINC001210269022 1093103286 /nfs/dbraw/zinc/10/32/86/1093103286.db2.gz LMEPIORHMOPMME-UHFFFAOYSA-N 2 1 324.762 3.166 20 0 DGADMP COc1ccc2oc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc2c1 ZINC001276726903 1094027176 /nfs/dbraw/zinc/02/71/76/1094027176.db2.gz NKWYTOJHYBNHDF-GASCZTMLSA-N 2 1 314.429 3.215 20 0 DGADMP COc1ccc2oc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)cc2c1 ZINC001276726903 1094027183 /nfs/dbraw/zinc/02/71/83/1094027183.db2.gz NKWYTOJHYBNHDF-GASCZTMLSA-N 2 1 314.429 3.215 20 0 DGADMP COc1ccc2oc(C[NH+]3C[C@@H]4CC[N@H+](C)CC[C@@H]4C3)cc2c1 ZINC001276726903 1094027189 /nfs/dbraw/zinc/02/71/89/1094027189.db2.gz NKWYTOJHYBNHDF-GASCZTMLSA-N 2 1 314.429 3.215 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(O)c3Cl)C[C@@H]2C1 ZINC001120070825 1094370254 /nfs/dbraw/zinc/37/02/54/1094370254.db2.gz CIEQBBBHTNXDHF-AEGPPILISA-N 2 1 308.853 3.208 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccccc1F ZINC001120561653 1094456259 /nfs/dbraw/zinc/45/62/59/1094456259.db2.gz QVUMWKBMTWPSCE-IBGZPJMESA-N 2 1 320.452 3.103 20 0 DGADMP CCCC[C@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217727482 1094484561 /nfs/dbraw/zinc/48/45/61/1094484561.db2.gz OSXKMWQMEGOMQT-HOTGVXAUSA-N 2 1 314.433 3.249 20 0 DGADMP CCCC[C@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217727482 1094484562 /nfs/dbraw/zinc/48/45/62/1094484562.db2.gz OSXKMWQMEGOMQT-HOTGVXAUSA-N 2 1 314.433 3.249 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(-c2cccc(F)c2)o1 ZINC001217751909 1094488381 /nfs/dbraw/zinc/48/83/81/1094488381.db2.gz OOQJZTRAGHCDIQ-AWEZNQCLSA-N 2 1 306.385 3.044 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCCCC[NH3+] ZINC001217769020 1094492343 /nfs/dbraw/zinc/49/23/43/1094492343.db2.gz JOEJJTXFIHWHBT-MJGOQNOKSA-N 2 1 304.478 3.433 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@@H]2CCC[NH2+]2)cc1 ZINC001217808300 1094498566 /nfs/dbraw/zinc/49/85/66/1094498566.db2.gz CWBMZMBSSKJGSQ-COHPWVSRSA-N 2 1 314.473 3.056 20 0 DGADMP [NH3+]Cc1ccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217823058 1094500414 /nfs/dbraw/zinc/50/04/14/1094500414.db2.gz LHIDXWDDARHGSC-FQEVSTJZSA-N 2 1 310.441 3.327 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217848450 1094505203 /nfs/dbraw/zinc/50/52/03/1094505203.db2.gz JECSTGKFKSBIFD-RBUKOAKNSA-N 2 1 316.489 3.303 20 0 DGADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678408 1094628771 /nfs/dbraw/zinc/62/87/71/1094628771.db2.gz DVOIHMNULXSCSM-JKSUJKDBSA-N 2 1 322.497 3.035 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001135691474 1094638380 /nfs/dbraw/zinc/63/83/80/1094638380.db2.gz VDHBYQMDDQICNC-DLBZAZTESA-N 2 1 313.530 3.027 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](Oc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001218176325 1094644897 /nfs/dbraw/zinc/64/48/97/1094644897.db2.gz GIIPFBDNSFSWFM-NRFANRHFSA-N 2 1 322.452 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218335914 1094724833 /nfs/dbraw/zinc/72/48/33/1094724833.db2.gz ODMDMIAKUNKSJY-UTKZUKDTSA-N 2 1 324.468 3.477 20 0 DGADMP Cc1csc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001276782710 1094735191 /nfs/dbraw/zinc/73/51/91/1094735191.db2.gz IHHIPCYVFHVLRP-MSOLQXFVSA-N 2 1 321.534 3.143 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nccc4c3CCCC4)C[C@H]2C1 ZINC001336888392 1094772495 /nfs/dbraw/zinc/77/24/95/1094772495.db2.gz JPXFZRLKEMVEHG-KZNAEPCWSA-N 2 1 313.489 3.123 20 0 DGADMP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995450 1094785354 /nfs/dbraw/zinc/78/53/54/1094785354.db2.gz FWOKBVPASUZDCZ-DLBZAZTESA-N 2 1 313.530 3.172 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941396 1094975162 /nfs/dbraw/zinc/97/51/62/1094975162.db2.gz DKRRODDEFHKBDX-YJBOKZPZSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941396 1094975176 /nfs/dbraw/zinc/97/51/76/1094975176.db2.gz DKRRODDEFHKBDX-YJBOKZPZSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941396 1094975191 /nfs/dbraw/zinc/97/51/91/1094975191.db2.gz DKRRODDEFHKBDX-YJBOKZPZSA-N 2 1 304.865 3.225 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170942962 1094980147 /nfs/dbraw/zinc/98/01/47/1094980147.db2.gz IBGPMZKSLRRXQV-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170942962 1094980157 /nfs/dbraw/zinc/98/01/57/1094980157.db2.gz IBGPMZKSLRRXQV-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170942962 1094980166 /nfs/dbraw/zinc/98/01/66/1094980166.db2.gz IBGPMZKSLRRXQV-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246095228 1095010932 /nfs/dbraw/zinc/01/09/32/1095010932.db2.gz DRJGHVQRZMVTRR-BONVTDFDSA-N 2 1 302.796 3.281 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000699541004 1095081177 /nfs/dbraw/zinc/08/11/77/1095081177.db2.gz IKRQIFJRPCLUCT-YSHGAJCASA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000699541004 1095081191 /nfs/dbraw/zinc/08/11/91/1095081191.db2.gz IKRQIFJRPCLUCT-YSHGAJCASA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CCC2 ZINC001337805415 1095101800 /nfs/dbraw/zinc/10/18/00/1095101800.db2.gz KANXHRJNXKYRPD-JKSUJKDBSA-N 2 1 304.482 3.209 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000315564148 1095116126 /nfs/dbraw/zinc/11/61/26/1095116126.db2.gz KKJOJYBMWOUAFI-ZDUSSCGKSA-N 2 1 300.402 3.015 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000315564148 1095116135 /nfs/dbraw/zinc/11/61/35/1095116135.db2.gz KKJOJYBMWOUAFI-ZDUSSCGKSA-N 2 1 300.402 3.015 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136987453 1095271473 /nfs/dbraw/zinc/27/14/73/1095271473.db2.gz YGSDKRRLKRXQRY-GJZGRUSLSA-N 2 1 301.409 3.081 20 0 DGADMP CC(C)(C[NH2+]Cc1ccccc1N1CCCC1)C[NH+]1CCCC1 ZINC001338944563 1095445557 /nfs/dbraw/zinc/44/55/57/1095445557.db2.gz URFAYJAGFZHJBX-UHFFFAOYSA-N 2 1 315.505 3.498 20 0 DGADMP Brc1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141485 1095453553 /nfs/dbraw/zinc/45/35/53/1095453553.db2.gz NGFKZKYVBRWLIS-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP c1ccc(COCCCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222142206 1095453722 /nfs/dbraw/zinc/45/37/22/1095453722.db2.gz WSYAQWWBLCEDJM-HXUWFJFHSA-N 2 1 316.489 3.449 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222140973 1095454012 /nfs/dbraw/zinc/45/40/12/1095454012.db2.gz AYRULOQSNJTPBL-LJQANCHMSA-N 2 1 324.509 3.356 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148028 1095457810 /nfs/dbraw/zinc/45/78/10/1095457810.db2.gz IFKORMLYDZUUQW-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148028 1095457814 /nfs/dbraw/zinc/45/78/14/1095457814.db2.gz IFKORMLYDZUUQW-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC001222154659 1095463183 /nfs/dbraw/zinc/46/31/83/1095463183.db2.gz OZSQOVMKRMKLOX-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC001222154659 1095463187 /nfs/dbraw/zinc/46/31/87/1095463187.db2.gz OZSQOVMKRMKLOX-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1cncc(CCC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160709 1095466667 /nfs/dbraw/zinc/46/66/67/1095466667.db2.gz IDQMXZWDLIMCQF-IBGZPJMESA-N 2 1 301.478 3.260 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1O ZINC001222160840 1095467365 /nfs/dbraw/zinc/46/73/65/1095467365.db2.gz JCKPKHYHYGRROG-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1O ZINC001222160840 1095467373 /nfs/dbraw/zinc/46/73/73/1095467373.db2.gz JCKPKHYHYGRROG-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c2nccnc2c1 ZINC001222162156 1095468747 /nfs/dbraw/zinc/46/87/47/1095468747.db2.gz ZYLNTLKBJMESAB-FQEVSTJZSA-N 2 1 324.472 3.376 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161858 1095469773 /nfs/dbraw/zinc/46/97/73/1095469773.db2.gz RQVXIOXAPQGFSM-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161858 1095469777 /nfs/dbraw/zinc/46/97/77/1095469777.db2.gz RQVXIOXAPQGFSM-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1ccc2c(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)n[nH]c2c1 ZINC001222161858 1095469786 /nfs/dbraw/zinc/46/97/86/1095469786.db2.gz RQVXIOXAPQGFSM-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1ccc2c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)n[nH]c2c1 ZINC001222161858 1095469788 /nfs/dbraw/zinc/46/97/88/1095469788.db2.gz RQVXIOXAPQGFSM-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP CNc1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166863 1095471094 /nfs/dbraw/zinc/47/10/94/1095471094.db2.gz DIOPOUHEMBHGTI-LJQANCHMSA-N 2 1 301.478 3.474 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(C)n1 ZINC001222167267 1095472691 /nfs/dbraw/zinc/47/26/91/1095472691.db2.gz JKKCADFYJYMRKW-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(C)n1 ZINC001222167267 1095472696 /nfs/dbraw/zinc/47/26/96/1095472696.db2.gz JKKCADFYJYMRKW-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP CCOc1ccnc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167519 1095472805 /nfs/dbraw/zinc/47/28/05/1095472805.db2.gz NDHYQBUOFPJSMJ-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1ccnc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167519 1095472810 /nfs/dbraw/zinc/47/28/10/1095472810.db2.gz NDHYQBUOFPJSMJ-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP c1nc2c(cccc2C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222167448 1095473487 /nfs/dbraw/zinc/47/34/87/1095473487.db2.gz LVTXJTLFHVQNCZ-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cccc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2[nH]1 ZINC001222167448 1095473492 /nfs/dbraw/zinc/47/34/92/1095473492.db2.gz LVTXJTLFHVQNCZ-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2[nH]1 ZINC001222167448 1095473498 /nfs/dbraw/zinc/47/34/98/1095473498.db2.gz LVTXJTLFHVQNCZ-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168185 1095476306 /nfs/dbraw/zinc/47/63/06/1095476306.db2.gz WTLIELFLVRPKOK-HXUWFJFHSA-N 2 1 315.505 3.498 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001222191074 1095483669 /nfs/dbraw/zinc/48/36/69/1095483669.db2.gz ITIKMHFXGAAQQH-QUCCMNQESA-N 2 1 320.521 3.482 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001222191074 1095483675 /nfs/dbraw/zinc/48/36/75/1095483675.db2.gz ITIKMHFXGAAQQH-QUCCMNQESA-N 2 1 320.521 3.482 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001246537907 1095484061 /nfs/dbraw/zinc/48/40/61/1095484061.db2.gz ZOPIJZMCWPTDQT-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001246537907 1095484065 /nfs/dbraw/zinc/48/40/65/1095484065.db2.gz ZOPIJZMCWPTDQT-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001222191076 1095484550 /nfs/dbraw/zinc/48/45/50/1095484550.db2.gz ITIKMHFXGAAQQH-UYAOXDASSA-N 2 1 320.521 3.482 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001222191076 1095484557 /nfs/dbraw/zinc/48/45/57/1095484557.db2.gz ITIKMHFXGAAQQH-UYAOXDASSA-N 2 1 320.521 3.482 20 0 DGADMP Fc1cccc2c(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222265566 1095521466 /nfs/dbraw/zinc/52/14/66/1095521466.db2.gz WLEJFQKNKMPTSJ-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1cccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222265566 1095521472 /nfs/dbraw/zinc/52/14/72/1095521472.db2.gz WLEJFQKNKMPTSJ-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1ccc2nc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001222272549 1095523020 /nfs/dbraw/zinc/52/30/20/1095523020.db2.gz WLLXAVRHBBJOSN-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001222272549 1095523024 /nfs/dbraw/zinc/52/30/24/1095523024.db2.gz WLLXAVRHBBJOSN-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1C ZINC001222278286 1095526260 /nfs/dbraw/zinc/52/62/60/1095526260.db2.gz ZXCAEPPVJWGWJZ-IBGZPJMESA-N 2 1 302.462 3.359 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1C ZINC001222278286 1095526272 /nfs/dbraw/zinc/52/62/72/1095526272.db2.gz ZXCAEPPVJWGWJZ-IBGZPJMESA-N 2 1 302.462 3.359 20 0 DGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001339224430 1095549106 /nfs/dbraw/zinc/54/91/06/1095549106.db2.gz NNEOWMSBECQWDN-CCNLRDMRSA-N 2 1 302.462 3.089 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320293 1095550016 /nfs/dbraw/zinc/55/00/16/1095550016.db2.gz GDXCLUAEJXUTDV-LJQANCHMSA-N 2 1 317.477 3.285 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)cc21 ZINC001222320271 1095550625 /nfs/dbraw/zinc/55/06/25/1095550625.db2.gz FTABEOMHLKKWPL-HXUWFJFHSA-N 2 1 313.489 3.177 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144197721 1095551959 /nfs/dbraw/zinc/55/19/59/1095551959.db2.gz XCLLLABRUMPTJV-UHFFFAOYSA-N 2 1 318.440 3.254 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2n[nH]c3ccc(F)cc32)CC1 ZINC001144197721 1095551979 /nfs/dbraw/zinc/55/19/79/1095551979.db2.gz XCLLLABRUMPTJV-UHFFFAOYSA-N 2 1 318.440 3.254 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2n[nH]c3ccc(F)cc32)CC1 ZINC001144197721 1095551991 /nfs/dbraw/zinc/55/19/91/1095551991.db2.gz XCLLLABRUMPTJV-UHFFFAOYSA-N 2 1 318.440 3.254 20 0 DGADMP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222326503 1095554858 /nfs/dbraw/zinc/55/48/58/1095554858.db2.gz ZJRUKEVQUKJNJA-GOSISDBHSA-N 2 1 306.425 3.251 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222326503 1095554870 /nfs/dbraw/zinc/55/48/70/1095554870.db2.gz ZJRUKEVQUKJNJA-GOSISDBHSA-N 2 1 306.425 3.251 20 0 DGADMP CCOC(=O)CCCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385098 1095584481 /nfs/dbraw/zinc/58/44/81/1095584481.db2.gz GEXGGLWWIWAPDJ-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385098 1095584494 /nfs/dbraw/zinc/58/44/94/1095584494.db2.gz GEXGGLWWIWAPDJ-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407791 1095600440 /nfs/dbraw/zinc/60/04/40/1095600440.db2.gz NMHGUBHWMBAJIM-UHFFFAOYSA-N 2 1 302.462 3.012 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001116602883 1095611808 /nfs/dbraw/zinc/61/18/08/1095611808.db2.gz FNEZELZBNGLPSU-INIZCTEOSA-N 2 1 320.440 3.423 20 0 DGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3c[nH+]c4c(c3)CCCN4)c2c1 ZINC001171166719 1095616547 /nfs/dbraw/zinc/61/65/47/1095616547.db2.gz FEIBDRKJSLANQZ-CQSZACIVSA-N 2 1 320.440 3.360 20 0 DGADMP C[N@H+](Cc1ccc(O)cc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC001144385923 1095637966 /nfs/dbraw/zinc/63/79/66/1095637966.db2.gz KPWXAVHGWFHKGA-UHFFFAOYSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC1CC[NH+](C)CC1 ZINC001222504200 1095643590 /nfs/dbraw/zinc/64/35/90/1095643590.db2.gz PWFSZELULYJUHQ-VQIMIIECSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+]1CCC(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001222508928 1095645228 /nfs/dbraw/zinc/64/52/28/1095645228.db2.gz GCVMYMIJTAPRIA-INIZCTEOSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001116789526 1095660724 /nfs/dbraw/zinc/66/07/24/1095660724.db2.gz CMYNVNCBNMQVTI-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001116789526 1095660733 /nfs/dbraw/zinc/66/07/33/1095660733.db2.gz CMYNVNCBNMQVTI-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP Fc1ccccc1CCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596480 1095683295 /nfs/dbraw/zinc/68/32/95/1095683295.db2.gz WSHJGAYADHHZFP-IBGZPJMESA-N 2 1 324.443 3.447 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@@H+]1C ZINC001116863013 1095683612 /nfs/dbraw/zinc/68/36/12/1095683612.db2.gz NAXXBKPBXMCTIE-KXBFYZLASA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@H+]1C ZINC001116863013 1095683617 /nfs/dbraw/zinc/68/36/17/1095683617.db2.gz NAXXBKPBXMCTIE-KXBFYZLASA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863013 1095683624 /nfs/dbraw/zinc/68/36/24/1095683624.db2.gz NAXXBKPBXMCTIE-KXBFYZLASA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863013 1095683630 /nfs/dbraw/zinc/68/36/30/1095683630.db2.gz NAXXBKPBXMCTIE-KXBFYZLASA-N 2 1 312.461 3.002 20 0 DGADMP Fc1ccccc1CC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595542 1095683676 /nfs/dbraw/zinc/68/36/76/1095683676.db2.gz CFXWUYVUMDGXLF-SFHVURJKSA-N 2 1 310.416 3.057 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1F ZINC001222601941 1095687641 /nfs/dbraw/zinc/68/76/41/1095687641.db2.gz DSSXOCKETBMBCK-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1F ZINC001222601941 1095687647 /nfs/dbraw/zinc/68/76/47/1095687647.db2.gz DSSXOCKETBMBCK-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP c1cc2cc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc2[nH]1 ZINC001222602697 1095687892 /nfs/dbraw/zinc/68/78/92/1095687892.db2.gz XOAZCOQTUMKFCX-IBGZPJMESA-N 2 1 317.436 3.357 20 0 DGADMP CCc1ccccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602086 1095688223 /nfs/dbraw/zinc/68/82/23/1095688223.db2.gz HMUUVBLVTGEZDR-HXUWFJFHSA-N 2 1 306.453 3.438 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1C ZINC001222602050 1095688326 /nfs/dbraw/zinc/68/83/26/1095688326.db2.gz GPYKMVBEZCHISG-HXUWFJFHSA-N 2 1 306.453 3.492 20 0 DGADMP CCc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608756 1095690453 /nfs/dbraw/zinc/69/04/53/1095690453.db2.gz DMNNKFVURGNPSV-FQEVSTJZSA-N 2 1 306.453 3.438 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629785 1095701313 /nfs/dbraw/zinc/70/13/13/1095701313.db2.gz OMVHMOQRWYYSHJ-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2scnc2Cl)CC1 ZINC001137821298 1095751711 /nfs/dbraw/zinc/75/17/11/1095751711.db2.gz JJMOZCXOWMXSIK-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2scnc2Cl)CC1 ZINC001137821298 1095751721 /nfs/dbraw/zinc/75/17/21/1095751721.db2.gz JJMOZCXOWMXSIK-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3cc(F)ccc3C(F)(F)F)C2)CC1 ZINC001138094065 1095874355 /nfs/dbraw/zinc/87/43/55/1095874355.db2.gz SGJMWKPMSMAXOG-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC001118121487 1095937628 /nfs/dbraw/zinc/93/76/28/1095937628.db2.gz FWCHOVZGIMKWTA-JKSUJKDBSA-N 2 1 314.477 3.446 20 0 DGADMP Brc1ccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246823562 1095997920 /nfs/dbraw/zinc/99/79/20/1095997920.db2.gz PXYIMJHUNOYPOX-ZBFHGGJFSA-N 2 1 323.278 3.381 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001146593136 1096067170 /nfs/dbraw/zinc/06/71/70/1096067170.db2.gz OEZLCJHPPQHIBB-DLBZAZTESA-N 2 1 323.525 3.090 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccccc1 ZINC001118903472 1096102264 /nfs/dbraw/zinc/10/22/64/1096102264.db2.gz LNXKFTAJAHCWGY-FQEVSTJZSA-N 2 1 312.457 3.304 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930784 1096107908 /nfs/dbraw/zinc/10/79/08/1096107908.db2.gz PLPOLRCASDRQAE-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930784 1096107911 /nfs/dbraw/zinc/10/79/11/1096107911.db2.gz PLPOLRCASDRQAE-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)C1CCC([NH3+])CC1)CC2 ZINC001171290367 1096127392 /nfs/dbraw/zinc/12/73/92/1096127392.db2.gz XCRAWGWFKMWIGX-JXQTWKCFSA-N 2 1 322.880 3.408 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171294487 1096165252 /nfs/dbraw/zinc/16/52/52/1096165252.db2.gz ULLDJCLKOWOZQP-CYBMUJFWSA-N 2 1 310.869 3.267 20 0 DGADMP C[NH+]1CCC(CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001224454656 1096216287 /nfs/dbraw/zinc/21/62/87/1096216287.db2.gz QQOOPWIIGXURMW-GOSISDBHSA-N 2 1 322.880 3.273 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC1CC[NH+](C)CC1 ZINC001224451863 1096216564 /nfs/dbraw/zinc/21/65/64/1096216564.db2.gz BRCYOJZXEBVULC-FXAWDEMLSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC001224706040 1096268085 /nfs/dbraw/zinc/26/80/85/1096268085.db2.gz IZEMDUUBILPGDU-QZTJIDSGSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224706040 1096268089 /nfs/dbraw/zinc/26/80/89/1096268089.db2.gz IZEMDUUBILPGDU-QZTJIDSGSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224706040 1096268092 /nfs/dbraw/zinc/26/80/92/1096268092.db2.gz IZEMDUUBILPGDU-QZTJIDSGSA-N 2 1 320.452 3.291 20 0 DGADMP CCCC[NH+](CCCC)CCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224752119 1096278825 /nfs/dbraw/zinc/27/88/25/1096278825.db2.gz BMVGFOXUMYHGHM-QXAKKESOSA-N 2 1 324.509 3.100 20 0 DGADMP CC(C)[N@H+]1CC[C@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224822694 1096292011 /nfs/dbraw/zinc/29/20/11/1096292011.db2.gz BSDWYJVIEKQNNP-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224822694 1096292019 /nfs/dbraw/zinc/29/20/19/1096292019.db2.gz BSDWYJVIEKQNNP-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224822694 1096292022 /nfs/dbraw/zinc/29/20/22/1096292022.db2.gz BSDWYJVIEKQNNP-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)CCC[NH+](C)C)CC2 ZINC001171317782 1096292039 /nfs/dbraw/zinc/29/20/39/1096292039.db2.gz VKIXPGVQMPCWDD-CYBMUJFWSA-N 2 1 310.869 3.089 20 0 DGADMP C[N@H+]1CCC[C@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832116 1096296480 /nfs/dbraw/zinc/29/64/80/1096296480.db2.gz TUTXXPLUXNDBDF-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224832116 1096296488 /nfs/dbraw/zinc/29/64/88/1096296488.db2.gz TUTXXPLUXNDBDF-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224832116 1096296496 /nfs/dbraw/zinc/29/64/96/1096296496.db2.gz TUTXXPLUXNDBDF-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C)Cc1ccccc1N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277003972 1096300842 /nfs/dbraw/zinc/30/08/42/1096300842.db2.gz KTFXPLBFJOPRKT-LJQANCHMSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001171322440 1096312349 /nfs/dbraw/zinc/31/23/49/1096312349.db2.gz WKXXCSXMPZAUKL-SFHVURJKSA-N 2 1 321.428 3.036 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224931926 1096316490 /nfs/dbraw/zinc/31/64/90/1096316490.db2.gz PXEMUDCAJNXDLR-KRWDZBQOSA-N 2 1 308.441 3.149 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCC[NH+](C)C ZINC001224991862 1096330318 /nfs/dbraw/zinc/33/03/18/1096330318.db2.gz CVFXMDUQGOSSTO-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)CCCCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224990621 1096330331 /nfs/dbraw/zinc/33/03/31/1096330331.db2.gz CCBDKIDBBVOQED-QGZVFWFLSA-N 2 1 308.441 3.149 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171326842 1096336620 /nfs/dbraw/zinc/33/66/20/1096336620.db2.gz SDHAGGZXWJWPFW-CQSZACIVSA-N 2 1 324.896 3.480 20 0 DGADMP c1cc2c(cccc2CNc2[nH+]cccc2N2CC[NH2+]CC2)s1 ZINC001171378201 1096605187 /nfs/dbraw/zinc/60/51/87/1096605187.db2.gz WXRHDQHIXFDBTI-UHFFFAOYSA-N 2 1 324.453 3.318 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171486632 1096896645 /nfs/dbraw/zinc/89/66/45/1096896645.db2.gz FWPWCCMZJLWMKS-INIZCTEOSA-N 2 1 308.416 3.238 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171486632 1096896653 /nfs/dbraw/zinc/89/66/53/1096896653.db2.gz FWPWCCMZJLWMKS-INIZCTEOSA-N 2 1 308.416 3.238 20 0 DGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586831 1096919890 /nfs/dbraw/zinc/91/98/90/1096919890.db2.gz UHOCVOGZVGGPHV-HZPDHXFCSA-N 2 1 313.530 3.027 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171548200 1096920455 /nfs/dbraw/zinc/92/04/55/1096920455.db2.gz WHIFAILJQPSTLN-CYBMUJFWSA-N 2 1 314.395 3.235 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cnc3ccc(F)cn23)CC1(C)C ZINC001171628899 1096930108 /nfs/dbraw/zinc/93/01/08/1096930108.db2.gz LVSKBOVTAFXPEY-UHFFFAOYSA-N 2 1 318.440 3.214 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3c2OCCO3)CC1(C)C ZINC001171621554 1096935970 /nfs/dbraw/zinc/93/59/70/1096935970.db2.gz MRNRDDHCYLFFEU-UHFFFAOYSA-N 2 1 318.461 3.199 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H](CCO)c2ccc(F)cc2)CC1(C)C ZINC001171621739 1096936476 /nfs/dbraw/zinc/93/64/76/1096936476.db2.gz PITYPXQCXYMHTF-KRWDZBQOSA-N 2 1 322.468 3.490 20 0 DGADMP COCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C1CCN(C)CC1 ZINC001171675848 1096945398 /nfs/dbraw/zinc/94/53/98/1096945398.db2.gz UGFSYXXTFJOUEH-SFHVURJKSA-N 2 1 318.505 3.359 20 0 DGADMP C[N@@H+](C1CC1)C1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171642423 1096949343 /nfs/dbraw/zinc/94/93/43/1096949343.db2.gz JVMIVIRMLGFZAE-UHFFFAOYSA-N 3 1 307.526 3.196 20 0 DGADMP CCC[NH+](CCC)CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727096 1096955551 /nfs/dbraw/zinc/95/55/51/1096955551.db2.gz PFXMLNMIGCDJCU-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CCC)CCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727095 1096955794 /nfs/dbraw/zinc/95/57/94/1096955794.db2.gz PFXMLNMIGCDJCU-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@H](n2cc3cc(C[NH3+])ccc3n2)C[N@H+]1Cc1ccccc1 ZINC001171726582 1096955931 /nfs/dbraw/zinc/95/59/31/1096955931.db2.gz YJGKDIPLXJOGKX-BEFAXECRSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171726819 1096955974 /nfs/dbraw/zinc/95/59/74/1096955974.db2.gz KAMUJPRNPYTYKB-UXPWSPDFSA-N 2 1 321.468 3.039 20 0 DGADMP C[C@@H]1C[C@@H](n2cc3cc(C[NH3+])ccc3n2)C[N@H+]1Cc1ccccc1 ZINC001171726583 1096956010 /nfs/dbraw/zinc/95/60/10/1096956010.db2.gz YJGKDIPLXJOGKX-DNVCBOLYSA-N 2 1 320.440 3.331 20 0 DGADMP CCN([C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171758653 1096964511 /nfs/dbraw/zinc/96/45/11/1096964511.db2.gz ZRBXUPNCJQKSDU-XLIONFOSSA-N 2 1 315.505 3.066 20 0 DGADMP CCN(CC[NH+](CC)CC)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171761264 1096965459 /nfs/dbraw/zinc/96/54/59/1096965459.db2.gz CPWKYTHIAKPTLL-UYAOXDASSA-N 2 1 317.521 3.313 20 0 DGADMP C[C@@H]1C[C@@H](n2c(C[NH3+])cc3ccncc32)C[N@H+]1Cc1ccccc1 ZINC001171734119 1096970735 /nfs/dbraw/zinc/97/07/35/1096970735.db2.gz LMUSTCJRMKPYPA-DNVCBOLYSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](n2cnc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171734457 1096971052 /nfs/dbraw/zinc/97/10/52/1096971052.db2.gz OCAUECXRAUNCJI-CRAIPNDOSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@H]1C[C@H](n2cc3ccc(C[NH3+])cc3n2)C[N@H+]1Cc1ccccc1 ZINC001171734602 1096971065 /nfs/dbraw/zinc/97/10/65/1096971065.db2.gz OUYNNKIXUOETCM-KXBFYZLASA-N 2 1 320.440 3.331 20 0 DGADMP CCCCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227792992 1096990246 /nfs/dbraw/zinc/99/02/46/1096990246.db2.gz WVZOZUACZCGSAO-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC1(C)C[C@H](n2ccnc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171963116 1097006053 /nfs/dbraw/zinc/00/60/53/1097006053.db2.gz DSMLHPOBASHOEU-QGZVFWFLSA-N 2 1 312.461 3.000 20 0 DGADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965094 1097006989 /nfs/dbraw/zinc/00/69/89/1097006989.db2.gz OBLZEFRGMWCBTI-QZTJIDSGSA-N 2 1 304.478 3.036 20 0 DGADMP COC[C@@H]1CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171990152 1097015873 /nfs/dbraw/zinc/01/58/73/1097015873.db2.gz KYSIBUUIDYJLPR-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990152 1097015877 /nfs/dbraw/zinc/01/58/77/1097015877.db2.gz KYSIBUUIDYJLPR-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990152 1097015882 /nfs/dbraw/zinc/01/58/82/1097015882.db2.gz KYSIBUUIDYJLPR-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP CC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171991206 1097016900 /nfs/dbraw/zinc/01/69/00/1097016900.db2.gz TZONPPMAHDGZAD-OALUTQOASA-N 2 1 314.473 3.483 20 0 DGADMP CC(=O)[C@@H]1CCCN1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991206 1097016903 /nfs/dbraw/zinc/01/69/03/1097016903.db2.gz TZONPPMAHDGZAD-OALUTQOASA-N 2 1 314.473 3.483 20 0 DGADMP CC(=O)[C@@H]1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991206 1097016906 /nfs/dbraw/zinc/01/69/06/1097016906.db2.gz TZONPPMAHDGZAD-OALUTQOASA-N 2 1 314.473 3.483 20 0 DGADMP CCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971668 1097021011 /nfs/dbraw/zinc/02/10/11/1097021011.db2.gz JEHUPINHJIOTIP-GOSISDBHSA-N 2 1 304.478 3.446 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971816 1097021396 /nfs/dbraw/zinc/02/13/96/1097021396.db2.gz KKNBASAJSORVMW-KRWDZBQOSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1COCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976096 1097022762 /nfs/dbraw/zinc/02/27/62/1097022762.db2.gz IAFMAYJVZKGWMK-MJGOQNOKSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1COCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976096 1097022768 /nfs/dbraw/zinc/02/27/68/1097022768.db2.gz IAFMAYJVZKGWMK-MJGOQNOKSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1COCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976096 1097022772 /nfs/dbraw/zinc/02/27/72/1097022772.db2.gz IAFMAYJVZKGWMK-MJGOQNOKSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1COCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976096 1097022778 /nfs/dbraw/zinc/02/27/78/1097022778.db2.gz IAFMAYJVZKGWMK-MJGOQNOKSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC001171981372 1097026914 /nfs/dbraw/zinc/02/69/14/1097026914.db2.gz WVPSPHRNVBBODC-MOPGFXCFSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171983440 1097027730 /nfs/dbraw/zinc/02/77/30/1097027730.db2.gz XEZUNJWGQLNLMN-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983440 1097027734 /nfs/dbraw/zinc/02/77/34/1097027734.db2.gz XEZUNJWGQLNLMN-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983440 1097027739 /nfs/dbraw/zinc/02/77/39/1097027739.db2.gz XEZUNJWGQLNLMN-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@H]3OCC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001171981396 1097028349 /nfs/dbraw/zinc/02/83/49/1097028349.db2.gz LFZMMOQBMZHSHF-IPMKNSEASA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@H]3OCC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001171981396 1097028355 /nfs/dbraw/zinc/02/83/55/1097028355.db2.gz LFZMMOQBMZHSHF-IPMKNSEASA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CC[C@H]3OCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171981396 1097028362 /nfs/dbraw/zinc/02/83/62/1097028362.db2.gz LFZMMOQBMZHSHF-IPMKNSEASA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H]3OCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171981396 1097028369 /nfs/dbraw/zinc/02/83/69/1097028369.db2.gz LFZMMOQBMZHSHF-IPMKNSEASA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H](C)C1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987255 1097030527 /nfs/dbraw/zinc/03/05/27/1097030527.db2.gz SFKLGXYTTBMJOB-QFBILLFUSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077482 1097037331 /nfs/dbraw/zinc/03/73/31/1097037331.db2.gz UJGHMOPXYJJKTI-FFGOWVMKSA-N 2 1 315.505 3.099 20 0 DGADMP CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072756 1097037751 /nfs/dbraw/zinc/03/77/51/1097037751.db2.gz MVZBTDLJLPRQIS-YSTOQKLRSA-N 2 1 316.489 3.323 20 0 DGADMP C[N@H+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073972 1097038500 /nfs/dbraw/zinc/03/85/00/1097038500.db2.gz FOHRFXTTXZAFPD-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073972 1097038506 /nfs/dbraw/zinc/03/85/06/1097038506.db2.gz FOHRFXTTXZAFPD-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073972 1097038512 /nfs/dbraw/zinc/03/85/12/1097038512.db2.gz FOHRFXTTXZAFPD-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073972 1097038519 /nfs/dbraw/zinc/03/85/19/1097038519.db2.gz FOHRFXTTXZAFPD-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062438 1097041950 /nfs/dbraw/zinc/04/19/50/1097041950.db2.gz OALVKSUFVPGTBT-FRYIKTPZSA-N 2 1 315.505 3.112 20 0 DGADMP OCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172063536 1097042420 /nfs/dbraw/zinc/04/24/20/1097042420.db2.gz AJWRUSSPWWPYRN-REPLKXPHSA-N 2 1 314.473 3.077 20 0 DGADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064016 1097044585 /nfs/dbraw/zinc/04/45/85/1097044585.db2.gz DEPUNUQBXRSUOO-USYVTKNRSA-N 2 1 314.473 3.075 20 0 DGADMP COc1cccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1OC ZINC001172127641 1097047676 /nfs/dbraw/zinc/04/76/76/1097047676.db2.gz KNHZLKZVHUGSJI-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1OC ZINC001172127641 1097047680 /nfs/dbraw/zinc/04/76/80/1097047680.db2.gz KNHZLKZVHUGSJI-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1OC ZINC001172127641 1097047687 /nfs/dbraw/zinc/04/76/87/1097047687.db2.gz KNHZLKZVHUGSJI-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1OC ZINC001172127641 1097047692 /nfs/dbraw/zinc/04/76/92/1097047692.db2.gz KNHZLKZVHUGSJI-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1OC ZINC001172127641 1097047699 /nfs/dbraw/zinc/04/76/99/1097047699.db2.gz KNHZLKZVHUGSJI-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3cc(F)ccc31)C2 ZINC001172102822 1097052785 /nfs/dbraw/zinc/05/27/85/1097052785.db2.gz PEONFPITWVXQFA-BJWYYQGGSA-N 2 1 315.436 3.469 20 0 DGADMP COc1cccc(OCCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172103178 1097053270 /nfs/dbraw/zinc/05/32/70/1097053270.db2.gz UCZMKQWPSDLQAC-OSYLJGHBSA-N 2 1 318.461 3.069 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)C2 ZINC001172105801 1097054215 /nfs/dbraw/zinc/05/42/15/1097054215.db2.gz KMHNQOVUQWIXOZ-YUAHOQAQSA-N 3 1 307.526 3.135 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)C2 ZINC001172105801 1097054221 /nfs/dbraw/zinc/05/42/21/1097054221.db2.gz KMHNQOVUQWIXOZ-YUAHOQAQSA-N 3 1 307.526 3.135 20 0 DGADMP Cc1ccccc1OC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107019 1097054898 /nfs/dbraw/zinc/05/48/98/1097054898.db2.gz SGZWTAAECJDIJT-XLAORIBOSA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1OC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107019 1097054901 /nfs/dbraw/zinc/05/49/01/1097054901.db2.gz SGZWTAAECJDIJT-XLAORIBOSA-N 2 1 302.462 3.367 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108864 1097055372 /nfs/dbraw/zinc/05/53/72/1097055372.db2.gz HBHGESRAYBCCGH-BGRQEXKUSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172108864 1097055377 /nfs/dbraw/zinc/05/53/77/1097055377.db2.gz HBHGESRAYBCCGH-BGRQEXKUSA-N 2 1 322.493 3.103 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)C2 ZINC001172107997 1097055480 /nfs/dbraw/zinc/05/54/80/1097055480.db2.gz NGPIPFAWJDJKDU-QDMKHBRRSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)C2 ZINC001172107997 1097055484 /nfs/dbraw/zinc/05/54/84/1097055484.db2.gz NGPIPFAWJDJKDU-QDMKHBRRSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COc3cc(Cl)ccc31)C2 ZINC001172111007 1097056506 /nfs/dbraw/zinc/05/65/06/1097056506.db2.gz NYRNCVAVFITISY-FQLMCAECSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COc3cc(Cl)ccc31)C2 ZINC001172111007 1097056521 /nfs/dbraw/zinc/05/65/21/1097056521.db2.gz NYRNCVAVFITISY-FQLMCAECSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)O)C2 ZINC001172113454 1097058311 /nfs/dbraw/zinc/05/83/11/1097058311.db2.gz HGNVUEMKUBWGQT-FJIDUMEYSA-N 2 1 302.462 3.104 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115686 1097060538 /nfs/dbraw/zinc/06/05/38/1097060538.db2.gz YTONGZLEYBBSBS-TVFCKZIOSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115686 1097060541 /nfs/dbraw/zinc/06/05/41/1097060541.db2.gz YTONGZLEYBBSBS-TVFCKZIOSA-N 2 1 304.865 3.412 20 0 DGADMP COc1ccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172116103 1097062463 /nfs/dbraw/zinc/06/24/63/1097062463.db2.gz XVZFXJKAHUWEPJ-OSYLJGHBSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172116103 1097062469 /nfs/dbraw/zinc/06/24/69/1097062469.db2.gz XVZFXJKAHUWEPJ-OSYLJGHBSA-N 2 1 300.446 3.289 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@](CF)(C(F)(F)F)C1)C2 ZINC001172122316 1097064897 /nfs/dbraw/zinc/06/48/97/1097064897.db2.gz ZXGCLNSBMUYPBJ-CRWXNKLISA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@](CF)(C(F)(F)F)C1)C2 ZINC001172122316 1097064902 /nfs/dbraw/zinc/06/49/02/1097064902.db2.gz ZXGCLNSBMUYPBJ-CRWXNKLISA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@](CF)(C(F)(F)F)C1)C2 ZINC001172122316 1097064907 /nfs/dbraw/zinc/06/49/07/1097064907.db2.gz ZXGCLNSBMUYPBJ-CRWXNKLISA-N 2 1 308.363 3.226 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226280 1097081322 /nfs/dbraw/zinc/08/13/22/1097081322.db2.gz SYZPUJURVSZYMV-QFMLELGNSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226280 1097081327 /nfs/dbraw/zinc/08/13/27/1097081327.db2.gz SYZPUJURVSZYMV-QFMLELGNSA-N 2 1 314.473 3.197 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC001172246836 1097090324 /nfs/dbraw/zinc/09/03/24/1097090324.db2.gz WLIQRHJVQYNSFH-UHFFFAOYSA-N 2 1 308.441 3.151 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172286741 1097104664 /nfs/dbraw/zinc/10/46/64/1097104664.db2.gz LLZCSPUQFXOVFK-SFHVURJKSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172286741 1097104669 /nfs/dbraw/zinc/10/46/69/1097104669.db2.gz LLZCSPUQFXOVFK-SFHVURJKSA-N 2 1 302.462 3.150 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1F ZINC001206164011 1097115967 /nfs/dbraw/zinc/11/59/67/1097115967.db2.gz IOJBMFILXNXVKS-LSDHHAIUSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1F ZINC001206164011 1097115970 /nfs/dbraw/zinc/11/59/70/1097115970.db2.gz IOJBMFILXNXVKS-LSDHHAIUSA-N 2 1 305.422 3.071 20 0 DGADMP C[NH+](C)Cc1c(O[C@H]2CCc3[nH+]ccn3C2)ccc2ccccc21 ZINC001228442965 1097121589 /nfs/dbraw/zinc/12/15/89/1097121589.db2.gz ZKKNOZBBVFDCNB-INIZCTEOSA-N 2 1 321.424 3.492 20 0 DGADMP CC[C@H](CC(C)C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172402973 1097129817 /nfs/dbraw/zinc/12/98/17/1097129817.db2.gz QLIQGBPTZGPXJB-OAHLLOKOSA-N 2 1 306.498 3.366 20 0 DGADMP CCOCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172420169 1097135269 /nfs/dbraw/zinc/13/52/69/1097135269.db2.gz KSHOKEYNWLSCLF-YSIASYRMSA-N 2 1 316.489 3.174 20 0 DGADMP CC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172389065 1097141875 /nfs/dbraw/zinc/14/18/75/1097141875.db2.gz KGVIQHXGHQKKKF-HXUWFJFHSA-N 2 1 317.521 3.348 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172437859 1097153990 /nfs/dbraw/zinc/15/39/90/1097153990.db2.gz WVKUCHUGANOWSX-HNNXBMFYSA-N 2 1 308.441 3.279 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172552648 1097178058 /nfs/dbraw/zinc/17/80/58/1097178058.db2.gz APIARJRBHBZPQM-NCXUSEDFSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c3cc[nH]c31)CC2 ZINC001277324790 1097178743 /nfs/dbraw/zinc/17/87/43/1097178743.db2.gz TUDSSPHRJTULAD-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172752290 1097230022 /nfs/dbraw/zinc/23/00/22/1097230022.db2.gz ONQSGFNXHICPEJ-BFYDXBDKSA-N 2 1 310.482 3.231 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172775077 1097237951 /nfs/dbraw/zinc/23/79/51/1097237951.db2.gz FGBYXFINGWBPLH-FJIDUMEYSA-N 2 1 324.509 3.336 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781365 1097241410 /nfs/dbraw/zinc/24/14/10/1097241410.db2.gz WOYIGOSYXKPHOO-ZJPYXAASSA-N 2 1 322.493 3.090 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001172793584 1097244061 /nfs/dbraw/zinc/24/40/61/1097244061.db2.gz ZPMTYHCKFJRATC-ZWKOTPCHSA-N 2 1 324.509 3.161 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(c3cccnc3)CC1)CC2 ZINC001172828570 1097250043 /nfs/dbraw/zinc/25/00/43/1097250043.db2.gz NCWUREIZSNVBNS-HXUWFJFHSA-N 2 1 321.468 3.197 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172803265 1097254524 /nfs/dbraw/zinc/25/45/24/1097254524.db2.gz NKOJUNDFMFYMTE-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172854987 1097262903 /nfs/dbraw/zinc/26/29/03/1097262903.db2.gz BAKRGYXKKLVVLA-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929671 1097284326 /nfs/dbraw/zinc/28/43/26/1097284326.db2.gz OSFLREASVHXQQK-CADBVGFASA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC(C)(C)C ZINC001173106695 1097331062 /nfs/dbraw/zinc/33/10/62/1097331062.db2.gz BMKPZFQMVIYZDB-GPANFISMSA-N 2 1 312.498 3.349 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001173108608 1097332175 /nfs/dbraw/zinc/33/21/75/1097332175.db2.gz PEBWJPIWBQNCOQ-HIEASXQVSA-N 2 1 306.494 3.473 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CCC(=O)OC)C2CCCC2)CC1 ZINC001173111818 1097332737 /nfs/dbraw/zinc/33/27/37/1097332737.db2.gz MFUMKIIELCPROW-UHFFFAOYSA-N 2 1 324.509 3.447 20 0 DGADMP CC[C@H]1CC[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277159 1097409574 /nfs/dbraw/zinc/40/95/74/1097409574.db2.gz JNQXTHWMAJIHRP-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H]1CC[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277159 1097409577 /nfs/dbraw/zinc/40/95/77/1097409577.db2.gz JNQXTHWMAJIHRP-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)C1 ZINC001173277159 1097409578 /nfs/dbraw/zinc/40/95/78/1097409578.db2.gz JNQXTHWMAJIHRP-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)C1 ZINC001173277159 1097409581 /nfs/dbraw/zinc/40/95/81/1097409581.db2.gz JNQXTHWMAJIHRP-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173343540 1097423874 /nfs/dbraw/zinc/42/38/74/1097423874.db2.gz LLMALXKEYHYRLE-GOSISDBHSA-N 2 1 307.526 3.059 20 0 DGADMP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001173354533 1097430238 /nfs/dbraw/zinc/43/02/38/1097430238.db2.gz PCTFPHWJCGAQCB-SNVBAGLBSA-N 2 1 319.758 3.368 20 0 DGADMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001173354533 1097430240 /nfs/dbraw/zinc/43/02/40/1097430240.db2.gz PCTFPHWJCGAQCB-SNVBAGLBSA-N 2 1 319.758 3.368 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476492 1097445670 /nfs/dbraw/zinc/44/56/70/1097445670.db2.gz XWAKFMRMSOZNIE-WKILWMFISA-N 2 1 320.427 3.414 20 0 DGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230107502 1097446380 /nfs/dbraw/zinc/44/63/80/1097446380.db2.gz ILFLYOROMZFMIK-BQYQJAHWSA-N 2 1 323.525 3.045 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001173458635 1097452816 /nfs/dbraw/zinc/45/28/16/1097452816.db2.gz XCUZIPYXTVJCSA-SQNIBIBYSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173458635 1097452821 /nfs/dbraw/zinc/45/28/21/1097452821.db2.gz XCUZIPYXTVJCSA-SQNIBIBYSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001173458635 1097452824 /nfs/dbraw/zinc/45/28/24/1097452824.db2.gz XCUZIPYXTVJCSA-SQNIBIBYSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629801 1097476615 /nfs/dbraw/zinc/47/66/15/1097476615.db2.gz BWCSJMBHOAWTIL-LUKYLMHMSA-N 2 1 310.482 3.089 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)CC[C@H]1F ZINC001206209415 1097492100 /nfs/dbraw/zinc/49/21/00/1097492100.db2.gz FFEGATTWEZPGIX-ZIAGYGMSSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)CC[C@H]1F ZINC001206209415 1097492101 /nfs/dbraw/zinc/49/21/01/1097492101.db2.gz FFEGATTWEZPGIX-ZIAGYGMSSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+]CC1([NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173701565 1097497600 /nfs/dbraw/zinc/49/76/00/1097497600.db2.gz BHHLCWIXIINNSE-LJQANCHMSA-N 2 1 322.452 3.204 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173710630 1097499608 /nfs/dbraw/zinc/49/96/08/1097499608.db2.gz ZJDXWFBDGPZLAD-INIZCTEOSA-N 2 1 320.477 3.116 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173710630 1097499611 /nfs/dbraw/zinc/49/96/11/1097499611.db2.gz ZJDXWFBDGPZLAD-INIZCTEOSA-N 2 1 320.477 3.116 20 0 DGADMP CN(C)c1ccc2cc(C[NH+]3CCC([NH+](C)C)CC3)ccc2c1 ZINC001231436571 1097748680 /nfs/dbraw/zinc/74/86/80/1097748680.db2.gz KSAWOEFDORQFMV-UHFFFAOYSA-N 2 1 311.473 3.432 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cnccc23)CC1 ZINC001231519679 1097770655 /nfs/dbraw/zinc/77/06/55/1097770655.db2.gz ICNOLCOTCPNGFJ-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881987 1097862246 /nfs/dbraw/zinc/86/22/46/1097862246.db2.gz NFTFGNTYVNWNNB-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP c1c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]c2cccnc12 ZINC001232070815 1097930269 /nfs/dbraw/zinc/93/02/69/1097930269.db2.gz YGIWLOYKONWWIQ-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]c2cccnc12 ZINC001232070815 1097930274 /nfs/dbraw/zinc/93/02/74/1097930274.db2.gz YGIWLOYKONWWIQ-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP c1c2ccncc2[nH]c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232093710 1097936462 /nfs/dbraw/zinc/93/64/62/1097936462.db2.gz YWUVZCVZQKXOMH-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP c1c2ccncc2[nH]c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232093710 1097936469 /nfs/dbraw/zinc/93/64/69/1097936469.db2.gz YWUVZCVZQKXOMH-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CCOc2ccccc2)c1 ZINC001232147278 1097948878 /nfs/dbraw/zinc/94/88/78/1097948878.db2.gz NCIPLAHKPWGDBK-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1 ZINC001232143722 1097949047 /nfs/dbraw/zinc/94/90/47/1097949047.db2.gz BYYXEHSOFHMFMD-SFHVURJKSA-N 2 1 306.425 3.032 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001232145596 1097949702 /nfs/dbraw/zinc/94/97/02/1097949702.db2.gz CDFDDHZNPLGSGO-GOSISDBHSA-N 2 1 314.408 3.014 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001232145596 1097949707 /nfs/dbraw/zinc/94/97/07/1097949707.db2.gz CDFDDHZNPLGSGO-GOSISDBHSA-N 2 1 314.408 3.014 20 0 DGADMP CC(C)[N@@H+](CCCCCO)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232152301 1097950796 /nfs/dbraw/zinc/95/07/96/1097950796.db2.gz XGJXOOPCNQBFBF-UHFFFAOYSA-N 2 1 310.457 3.260 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC001277624816 1097957877 /nfs/dbraw/zinc/95/78/77/1097957877.db2.gz IOYWYHRMAVDWGT-YTQUADARSA-N 2 1 307.526 3.056 20 0 DGADMP Cc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001232485636 1098055659 /nfs/dbraw/zinc/05/56/59/1098055659.db2.gz DZZMEFOIMYQTKE-OAHLLOKOSA-N 2 1 300.377 3.491 20 0 DGADMP CNc1ccccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001232668309 1098109275 /nfs/dbraw/zinc/10/92/75/1098109275.db2.gz PIJYYRLIQZKMBX-UHFFFAOYSA-N 2 1 310.445 3.171 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735301 1098123217 /nfs/dbraw/zinc/12/32/17/1098123217.db2.gz RVOAYQLUZWLUDG-QGZVFWFLSA-N 2 1 303.837 3.349 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc3ncsc3c2)CC1 ZINC001232743641 1098126190 /nfs/dbraw/zinc/12/61/90/1098126190.db2.gz FJCGBCNZHCIUTA-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1C ZINC001175775243 1098167665 /nfs/dbraw/zinc/16/76/65/1098167665.db2.gz PUDDFUWXGMNJAX-INIZCTEOSA-N 2 1 311.429 3.109 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(c3c[nH+]cn3C)C2)C1 ZINC001277765780 1098234218 /nfs/dbraw/zinc/23/42/18/1098234218.db2.gz QZLCNXYCMAZMCZ-MRXNPFEDSA-N 2 1 304.482 3.149 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c1)CCO2 ZINC001233276641 1098272061 /nfs/dbraw/zinc/27/20/61/1098272061.db2.gz UCFSHOSMEADFBY-GOSISDBHSA-N 2 1 314.473 3.462 20 0 DGADMP Cc1cnsc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001233318409 1098287149 /nfs/dbraw/zinc/28/71/49/1098287149.db2.gz BSRIXOZFSOGKCE-OKILXGFUSA-N 2 1 319.499 3.077 20 0 DGADMP c1cn2c(cccc2C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001233362577 1098302516 /nfs/dbraw/zinc/30/25/16/1098302516.db2.gz HXTAPBGJAVAFAP-KRWDZBQOSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2c(cccc2C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001233362577 1098302521 /nfs/dbraw/zinc/30/25/21/1098302521.db2.gz HXTAPBGJAVAFAP-KRWDZBQOSA-N 2 1 312.461 3.175 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001176269039 1098309686 /nfs/dbraw/zinc/30/96/86/1098309686.db2.gz PUFVUOAVQIJAAH-KRWDZBQOSA-N 2 1 313.530 3.029 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3nc(Cl)ccc3c1)C2 ZINC001233445829 1098336047 /nfs/dbraw/zinc/33/60/47/1098336047.db2.gz WPFJXZZGTUEBBE-CRAIPNDOSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3nc(Cl)ccc3c1)C2 ZINC001233445829 1098336054 /nfs/dbraw/zinc/33/60/54/1098336054.db2.gz WPFJXZZGTUEBBE-CRAIPNDOSA-N 2 1 315.848 3.272 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ccc3nccn3c2)C1 ZINC001233755833 1098423373 /nfs/dbraw/zinc/42/33/73/1098423373.db2.gz URYPERKNPKGQGR-JKSUJKDBSA-N 2 1 322.412 3.334 20 0 DGADMP CC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277807571 1098430890 /nfs/dbraw/zinc/43/08/90/1098430890.db2.gz OFRRYQDHKFXUCP-CWRNSKLLSA-N 2 1 307.507 3.394 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277807571 1098430892 /nfs/dbraw/zinc/43/08/92/1098430892.db2.gz OFRRYQDHKFXUCP-CWRNSKLLSA-N 2 1 307.507 3.394 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277807571 1098430895 /nfs/dbraw/zinc/43/08/95/1098430895.db2.gz OFRRYQDHKFXUCP-CWRNSKLLSA-N 2 1 307.507 3.394 20 0 DGADMP COc1cc(C)ccc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001177295222 1098505210 /nfs/dbraw/zinc/50/52/10/1098505210.db2.gz ZTRVBUWSNWKJOU-IAGOWNOFSA-N 2 1 304.478 3.461 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001177416035 1098531512 /nfs/dbraw/zinc/53/15/12/1098531512.db2.gz GUSNGGAXPMYLTB-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)s2)CC1 ZINC001206305374 1098552406 /nfs/dbraw/zinc/55/24/06/1098552406.db2.gz YBCPRXHEBSGABU-ZDUSSCGKSA-N 2 1 317.296 3.462 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177611967 1098566379 /nfs/dbraw/zinc/56/63/79/1098566379.db2.gz MVOURQLSHZHVJR-YQVWRLOYSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001177611967 1098566388 /nfs/dbraw/zinc/56/63/88/1098566388.db2.gz MVOURQLSHZHVJR-YQVWRLOYSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001177611967 1098566396 /nfs/dbraw/zinc/56/63/96/1098566396.db2.gz MVOURQLSHZHVJR-YQVWRLOYSA-N 2 1 303.494 3.142 20 0 DGADMP CCOC(=[NH2+])c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001234590959 1098611080 /nfs/dbraw/zinc/61/10/80/1098611080.db2.gz VWRGVUSMSRTLAR-SCAQPMJSSA-N 2 1 302.418 3.158 20 0 DGADMP CCOC(=[NH2+])c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001234590959 1098611084 /nfs/dbraw/zinc/61/10/84/1098611084.db2.gz VWRGVUSMSRTLAR-SCAQPMJSSA-N 2 1 302.418 3.158 20 0 DGADMP CC(C)n1c2ccccc2nc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC001177795277 1098616272 /nfs/dbraw/zinc/61/62/72/1098616272.db2.gz QTGPLLCWTGCTNX-HNNXBMFYSA-N 2 1 300.450 3.049 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)[nH+]1 ZINC001234610470 1098618111 /nfs/dbraw/zinc/61/81/11/1098618111.db2.gz VCOMRFWLLAHWHD-QUCCMNQESA-N 2 1 324.472 3.123 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)[nH+]1 ZINC001234610470 1098618116 /nfs/dbraw/zinc/61/81/16/1098618116.db2.gz VCOMRFWLLAHWHD-QUCCMNQESA-N 2 1 324.472 3.123 20 0 DGADMP CC(=O)[C@H](C)[NH2+][C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001277888409 1098661303 /nfs/dbraw/zinc/66/13/03/1098661303.db2.gz IYJFHLBIOQUYMA-CFVMTHIKSA-N 2 1 320.399 3.331 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206312001 1098684001 /nfs/dbraw/zinc/68/40/01/1098684001.db2.gz XTEYACZAKFCREV-OAHLLOKOSA-N 2 1 315.383 3.360 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1F ZINC001206318159 1098723363 /nfs/dbraw/zinc/72/33/63/1098723363.db2.gz NNONRFFPUOGHSV-QGZVFWFLSA-N 2 1 312.404 3.314 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1O ZINC001206317604 1098730402 /nfs/dbraw/zinc/73/04/02/1098730402.db2.gz HYLIUWKCNPKPJR-MRXNPFEDSA-N 2 1 312.841 3.005 20 0 DGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001234971053 1098730300 /nfs/dbraw/zinc/73/03/00/1098730300.db2.gz NOPOBJZOZBRLLN-VAMGGRTRSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)=CCCC1=CC[C@H](CN2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001234978590 1098732093 /nfs/dbraw/zinc/73/20/93/1098732093.db2.gz AUDWDPQMOUSONH-VQTJNVASSA-N 2 1 317.521 3.097 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001234991605 1098737281 /nfs/dbraw/zinc/73/72/81/1098737281.db2.gz HIIZZYCLRWYKNS-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001234991605 1098737287 /nfs/dbraw/zinc/73/72/87/1098737287.db2.gz HIIZZYCLRWYKNS-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2n1 ZINC001234997747 1098740504 /nfs/dbraw/zinc/74/05/04/1098740504.db2.gz GBVXBXCGLVQPQN-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP CC(C)c1ccc(CC[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009328 1098751215 /nfs/dbraw/zinc/75/12/15/1098751215.db2.gz ZCUAGSVMQDXAFL-FQEVSTJZSA-N 2 1 316.489 3.055 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009328 1098751225 /nfs/dbraw/zinc/75/12/25/1098751225.db2.gz ZCUAGSVMQDXAFL-FQEVSTJZSA-N 2 1 316.489 3.055 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235019076 1098753447 /nfs/dbraw/zinc/75/34/47/1098753447.db2.gz ZGHBFTSIQWWVBI-GBESFXJTSA-N 2 1 320.521 3.338 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235019076 1098753456 /nfs/dbraw/zinc/75/34/56/1098753456.db2.gz ZGHBFTSIQWWVBI-GBESFXJTSA-N 2 1 320.521 3.338 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235033074 1098760984 /nfs/dbraw/zinc/76/09/84/1098760984.db2.gz SSIVQSDWJCWGLQ-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP Clc1ccc(-n2cccc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235032497 1098761026 /nfs/dbraw/zinc/76/10/26/1098761026.db2.gz LSYWPUDZZJYWJF-GOSISDBHSA-N 2 1 315.848 3.316 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235032497 1098761037 /nfs/dbraw/zinc/76/10/37/1098761037.db2.gz LSYWPUDZZJYWJF-GOSISDBHSA-N 2 1 315.848 3.316 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001235031995 1098762099 /nfs/dbraw/zinc/76/20/99/1098762099.db2.gz ILUKFLWELAMBJN-HNNXBMFYSA-N 2 1 314.351 3.079 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001235031995 1098762111 /nfs/dbraw/zinc/76/21/11/1098762111.db2.gz ILUKFLWELAMBJN-HNNXBMFYSA-N 2 1 314.351 3.079 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235039355 1098765456 /nfs/dbraw/zinc/76/54/56/1098765456.db2.gz YGKLMCCJDUHONI-LJQANCHMSA-N 2 1 302.462 3.276 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042225 1098769036 /nfs/dbraw/zinc/76/90/36/1098769036.db2.gz WLYULYGURDJUPN-KRWDZBQOSA-N 2 1 310.388 3.396 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(C)c1C ZINC001235040668 1098770254 /nfs/dbraw/zinc/77/02/54/1098770254.db2.gz MRKITAZXIXLNGZ-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CCCO2 ZINC001235046579 1098774676 /nfs/dbraw/zinc/77/46/76/1098774676.db2.gz RNFCBGALIOAODP-LJQANCHMSA-N 2 1 300.446 3.120 20 0 DGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235052398 1098776660 /nfs/dbraw/zinc/77/66/60/1098776660.db2.gz FBAGOGFXJGMIPT-VQTJNVASSA-N 2 1 317.521 3.097 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093192 1098795455 /nfs/dbraw/zinc/79/54/55/1098795455.db2.gz QCYKTDUNHGLPSA-UHFFFAOYSA-N 2 1 310.441 3.424 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001235126025 1098825461 /nfs/dbraw/zinc/82/54/61/1098825461.db2.gz RBFHLUYJTDHGSW-FQEVSTJZSA-N 2 1 313.489 3.121 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235143932 1098832473 /nfs/dbraw/zinc/83/24/73/1098832473.db2.gz GUQVIMSTZRLPGX-UHFFFAOYSA-N 2 1 308.853 3.457 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235143932 1098832483 /nfs/dbraw/zinc/83/24/83/1098832483.db2.gz GUQVIMSTZRLPGX-UHFFFAOYSA-N 2 1 308.853 3.457 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235154520 1098838719 /nfs/dbraw/zinc/83/87/19/1098838719.db2.gz MGKQDIMTRHAPDX-KRWDZBQOSA-N 2 1 312.379 3.458 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154400 1098839608 /nfs/dbraw/zinc/83/96/08/1098839608.db2.gz LLPXGNDXXGAKEG-HXUWFJFHSA-N 2 1 324.472 3.226 20 0 DGADMP CCC1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001178463992 1098840427 /nfs/dbraw/zinc/84/04/27/1098840427.db2.gz UJDRCLVNGKONJW-GQOXECLESA-N 2 1 316.489 3.312 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156936 1098841983 /nfs/dbraw/zinc/84/19/83/1098841983.db2.gz NZYHHZACEPFMJW-SFHVURJKSA-N 2 1 320.452 3.497 20 0 DGADMP CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159865 1098844973 /nfs/dbraw/zinc/84/49/73/1098844973.db2.gz XGEQDJBIDQNVMN-CRAIPNDOSA-N 2 1 318.509 3.288 20 0 DGADMP COc1cccc(CCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235172287 1098853135 /nfs/dbraw/zinc/85/31/35/1098853135.db2.gz LCSBHVBUURIDRY-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP COc1cccc(CCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235172287 1098853145 /nfs/dbraw/zinc/85/31/45/1098853145.db2.gz LCSBHVBUURIDRY-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCCC[NH2+]C(C)C ZINC001178527064 1098856167 /nfs/dbraw/zinc/85/61/67/1098856167.db2.gz IYGLJICVZWVMOK-MRXNPFEDSA-N 2 1 322.497 3.071 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C(C)C ZINC001235185370 1098862581 /nfs/dbraw/zinc/86/25/81/1098862581.db2.gz RNYALVCCCMETOX-WBVHZDCISA-N 2 1 302.462 3.168 20 0 DGADMP COc1cccc(CCC[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191671 1098867788 /nfs/dbraw/zinc/86/77/88/1098867788.db2.gz VBMXTGCYQBYTIJ-UHFFFAOYSA-N 2 1 302.462 3.236 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001235194557 1098869391 /nfs/dbraw/zinc/86/93/91/1098869391.db2.gz ZGTJKUSNKXWRKO-GUDVDZBRSA-N 2 1 320.521 3.195 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235193406 1098870713 /nfs/dbraw/zinc/87/07/13/1098870713.db2.gz KQBHKEPOECVUGN-HUUCEWRRSA-N 2 1 312.379 3.179 20 0 DGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001178561994 1098871902 /nfs/dbraw/zinc/87/19/02/1098871902.db2.gz YTLHGXWNACXKQX-QZTJIDSGSA-N 2 1 309.542 3.207 20 0 DGADMP c1cn(CC[N@H+]2CCCC3(CC[NH+](C4CCCC4)CC3)C2)cn1 ZINC001277930494 1098874505 /nfs/dbraw/zinc/87/45/05/1098874505.db2.gz LUGZYNFFGVGETB-UHFFFAOYSA-N 2 1 316.493 3.004 20 0 DGADMP c1c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235226028 1098898076 /nfs/dbraw/zinc/89/80/76/1098898076.db2.gz XAYOAYILENNTOD-NVXWUHKLSA-N 2 1 309.457 3.367 20 0 DGADMP COc1nccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235239050 1098911776 /nfs/dbraw/zinc/91/17/76/1098911776.db2.gz SMWRIVWPKAYFBB-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP COc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1F ZINC001235240264 1098914337 /nfs/dbraw/zinc/91/43/37/1098914337.db2.gz LEXHZSFWRCVJSF-HNNXBMFYSA-N 2 1 324.415 3.328 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248877 1098921612 /nfs/dbraw/zinc/92/16/12/1098921612.db2.gz ZOPCPMDFUWIFDU-OUJGAGHGSA-N 2 1 308.469 3.420 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc1-2 ZINC001235265689 1098938491 /nfs/dbraw/zinc/93/84/91/1098938491.db2.gz DBDNQJYICOWIMM-UWJYYQICSA-N 2 1 304.437 3.442 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811350 1098939491 /nfs/dbraw/zinc/93/94/91/1098939491.db2.gz SEAAUAARFDXSDO-ROUUACIJSA-N 2 1 323.525 3.070 20 0 DGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178833084 1098946403 /nfs/dbraw/zinc/94/64/03/1098946403.db2.gz PAEFLTOJZBZVPT-XDXAGZTOSA-N 2 1 323.525 3.093 20 0 DGADMP CNc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235358810 1098977041 /nfs/dbraw/zinc/97/70/41/1098977041.db2.gz WGORMUHDOLYRDL-NHCUHLMSSA-N 2 1 321.468 3.307 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235364374 1098981107 /nfs/dbraw/zinc/98/11/07/1098981107.db2.gz YABIEVLNVKNPDN-UWRIJYQHSA-N 2 1 322.496 3.452 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235364381 1098982204 /nfs/dbraw/zinc/98/22/04/1098982204.db2.gz YABIEVLNVKNPDN-YMYKFTITSA-N 2 1 322.496 3.452 20 0 DGADMP Cc1c(O)cccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377041 1098986069 /nfs/dbraw/zinc/98/60/69/1098986069.db2.gz MUNIERNJWDSODH-CTNGQTDRSA-N 2 1 322.452 3.280 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235381006 1098987694 /nfs/dbraw/zinc/98/76/94/1098987694.db2.gz ZBNSZQNZCSDDHM-UXHICEINSA-N 2 1 310.416 3.405 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235381006 1098987706 /nfs/dbraw/zinc/98/77/06/1098987706.db2.gz ZBNSZQNZCSDDHM-UXHICEINSA-N 2 1 310.416 3.405 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1O ZINC001235381541 1098990018 /nfs/dbraw/zinc/99/00/18/1098990018.db2.gz ZDIOGJLETXVDOP-CTNGQTDRSA-N 2 1 322.452 3.280 20 0 DGADMP CCOc1cc(O)cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001235398020 1098994254 /nfs/dbraw/zinc/99/42/54/1098994254.db2.gz LTKNSOALPJVSAK-UHFFFAOYSA-N 2 1 320.477 3.343 20 0 DGADMP CC(C)(CC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F)c1ccccc1 ZINC001235399334 1098995506 /nfs/dbraw/zinc/99/55/06/1098995506.db2.gz ALVZXZLNNCVBIN-PKOBYXMFSA-N 2 1 304.453 3.378 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399317 1098995528 /nfs/dbraw/zinc/99/55/28/1098995528.db2.gz AISVKFAAPKSFGQ-HUUCEWRRSA-N 2 1 316.342 3.229 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399317 1098995531 /nfs/dbraw/zinc/99/55/31/1098995531.db2.gz AISVKFAAPKSFGQ-HUUCEWRRSA-N 2 1 316.342 3.229 20 0 DGADMP CCCCCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179026142 1098996645 /nfs/dbraw/zinc/99/66/45/1098996645.db2.gz NZJICRDGIMRGQL-UHFFFAOYSA-N 2 1 322.497 3.038 20 0 DGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1C ZINC001235400550 1098997535 /nfs/dbraw/zinc/99/75/35/1098997535.db2.gz KHLDDZIQWHRFND-SJORKVTESA-N 2 1 310.844 3.480 20 0 DGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1C ZINC001235400550 1098997548 /nfs/dbraw/zinc/99/75/48/1098997548.db2.gz KHLDDZIQWHRFND-SJORKVTESA-N 2 1 310.844 3.480 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401487 1098998027 /nfs/dbraw/zinc/99/80/27/1098998027.db2.gz HBRAWVCOSREUQF-MSOLQXFVSA-N 2 1 319.399 3.139 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401487 1098998031 /nfs/dbraw/zinc/99/80/31/1098998031.db2.gz HBRAWVCOSREUQF-MSOLQXFVSA-N 2 1 319.399 3.139 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1C(C)C ZINC001235403596 1098998977 /nfs/dbraw/zinc/99/89/77/1098998977.db2.gz LHFRYKDBUXLRQE-RTBURBONSA-N 2 1 320.452 3.342 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1C(C)C ZINC001235403596 1098998982 /nfs/dbraw/zinc/99/89/82/1098998982.db2.gz LHFRYKDBUXLRQE-RTBURBONSA-N 2 1 320.452 3.342 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001179067279 1099009706 /nfs/dbraw/zinc/00/97/06/1099009706.db2.gz PKEOOUCQEGIODJ-LJQANCHMSA-N 2 1 304.478 3.137 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235422607 1099013945 /nfs/dbraw/zinc/01/39/45/1099013945.db2.gz DFCOENQSCRKUPH-GJZGRUSLSA-N 2 1 324.415 3.185 20 0 DGADMP Fc1cccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235422287 1099014847 /nfs/dbraw/zinc/01/48/47/1099014847.db2.gz BCFDAAJUFXATHI-ROUUACIJSA-N 2 1 304.453 3.470 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235420830 1099014916 /nfs/dbraw/zinc/01/49/16/1099014916.db2.gz BHTPFPGARQUBSS-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235424369 1099015061 /nfs/dbraw/zinc/01/50/61/1099015061.db2.gz HHGYDKOACGIYTR-KGLIPLIRSA-N 2 1 308.853 3.257 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CCCN2 ZINC001235423947 1099016144 /nfs/dbraw/zinc/01/61/44/1099016144.db2.gz HNMBSAZTYYICGH-RTBURBONSA-N 2 1 313.489 3.256 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235425866 1099019637 /nfs/dbraw/zinc/01/96/37/1099019637.db2.gz JQCNAFLWMFPGLQ-IAGOWNOFSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)cc1F ZINC001235428090 1099022409 /nfs/dbraw/zinc/02/24/09/1099022409.db2.gz OSEHJWSLIDGUSJ-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429108 1099023421 /nfs/dbraw/zinc/02/34/21/1099023421.db2.gz XFAQVXFQLJBHRX-HUUCEWRRSA-N 2 1 308.416 3.485 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001235429869 1099025823 /nfs/dbraw/zinc/02/58/23/1099025823.db2.gz SBLGCUZQVTWKIR-UHFFFAOYSA-N 2 1 317.477 3.095 20 0 DGADMP Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235431037 1099026619 /nfs/dbraw/zinc/02/66/19/1099026619.db2.gz UCWXQNHMXZUTOH-GJZGRUSLSA-N 2 1 307.869 3.255 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432402 1099028108 /nfs/dbraw/zinc/02/81/08/1099028108.db2.gz XKITTXIXQVRBRH-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432005 1099028141 /nfs/dbraw/zinc/02/81/41/1099028141.db2.gz QBURQPLYTIUOJA-JKSUJKDBSA-N 2 1 320.452 3.354 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431941 1099028337 /nfs/dbraw/zinc/02/83/37/1099028337.db2.gz PORFEWUITZWPGH-CVEARBPZSA-N 2 1 320.452 3.354 20 0 DGADMP COc1c(C[N@@H+](C)CC2CC[NH2+]CC2)ccc(Cl)c1Cl ZINC001235432657 1099028888 /nfs/dbraw/zinc/02/88/88/1099028888.db2.gz QBTLWPRCOXCKOW-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP C[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)CC1CC[NH2+]CC1 ZINC001235432619 1099029352 /nfs/dbraw/zinc/02/93/52/1099029352.db2.gz NXUVBEMKYNFJNT-UHFFFAOYSA-N 2 1 319.836 3.025 20 0 DGADMP CN(C)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235431181 1099029648 /nfs/dbraw/zinc/02/96/48/1099029648.db2.gz LUPOKZMNONNGNL-IRXDYDNUSA-N 2 1 319.468 3.103 20 0 DGADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001235432913 1099030273 /nfs/dbraw/zinc/03/02/73/1099030273.db2.gz AMGIPZWSFIQCRF-UHFFFAOYSA-N 2 1 300.368 3.445 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)CC1CC[NH2+]CC1 ZINC001235434057 1099030748 /nfs/dbraw/zinc/03/07/48/1099030748.db2.gz ZQHVAIFLTXMSBK-UHFFFAOYSA-N 2 1 320.330 3.156 20 0 DGADMP COc1ccc(C[N@H+](C)CCC[NH3+])c(OCc2ccccc2)c1 ZINC001235435104 1099031210 /nfs/dbraw/zinc/03/12/10/1099031210.db2.gz AHCORVWJMMHVDR-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC[NH3+])c(OCc2ccccc2)c1 ZINC001235435104 1099031221 /nfs/dbraw/zinc/03/12/21/1099031221.db2.gz AHCORVWJMMHVDR-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1ccc(N(C)c2ccc(C[N@@H+](C)CCC[NH3+])cc2)cc1 ZINC001235435731 1099034923 /nfs/dbraw/zinc/03/49/23/1099034923.db2.gz WZIRSVHMSCEZLS-UHFFFAOYSA-N 2 1 313.445 3.244 20 0 DGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+](C)CCC[NH3+] ZINC001235445827 1099038844 /nfs/dbraw/zinc/03/88/44/1099038844.db2.gz UZMZCLMHLUFSMH-UHFFFAOYSA-N 2 1 303.837 3.491 20 0 DGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+](C)CCC[NH3+] ZINC001235445827 1099038853 /nfs/dbraw/zinc/03/88/53/1099038853.db2.gz UZMZCLMHLUFSMH-UHFFFAOYSA-N 2 1 303.837 3.491 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCCCCO)CC2 ZINC001235483214 1099061165 /nfs/dbraw/zinc/06/11/65/1099061165.db2.gz PTXKOGMVUBRUCW-GOSISDBHSA-N 2 1 320.477 3.119 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235511188 1099067946 /nfs/dbraw/zinc/06/79/46/1099067946.db2.gz ZTLGTSFJBAMRSR-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235511188 1099067956 /nfs/dbraw/zinc/06/79/56/1099067956.db2.gz ZTLGTSFJBAMRSR-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP C[C@H]([NH3+])C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001235580455 1099090397 /nfs/dbraw/zinc/09/03/97/1099090397.db2.gz HWCZFJBSXFPCNO-INIZCTEOSA-N 2 1 321.468 3.376 20 0 DGADMP [NH3+]CCCCC[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235642450 1099107247 /nfs/dbraw/zinc/10/72/47/1099107247.db2.gz FJXVCWMEIRHCFM-VQTJNVASSA-N 2 1 316.489 3.228 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235664760 1099113066 /nfs/dbraw/zinc/11/30/66/1099113066.db2.gz VVFKEUPRNFXTSP-UHFFFAOYSA-N 2 1 323.484 3.032 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001235676604 1099119642 /nfs/dbraw/zinc/11/96/42/1099119642.db2.gz SRKKDCYFBDIBAN-CYBMUJFWSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235676604 1099119645 /nfs/dbraw/zinc/11/96/45/1099119645.db2.gz SRKKDCYFBDIBAN-CYBMUJFWSA-N 2 1 311.267 3.237 20 0 DGADMP c1cncc([C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001235679022 1099122936 /nfs/dbraw/zinc/12/29/36/1099122936.db2.gz KCEJRKGXGRDGEY-FQEVSTJZSA-N 2 1 307.441 3.455 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235691567 1099130042 /nfs/dbraw/zinc/13/00/42/1099130042.db2.gz KMMCWCRXENWZBA-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP [NH3+]CCCCCC[NH+]1CC(Oc2ccccc2C(F)(F)F)C1 ZINC001235706047 1099138230 /nfs/dbraw/zinc/13/82/30/1099138230.db2.gz RALYWYAPUWPFKS-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235714071 1099140968 /nfs/dbraw/zinc/14/09/68/1099140968.db2.gz GOHPRANWNVLKCF-OAQYLSRUSA-N 2 1 322.452 3.123 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592594 1099142356 /nfs/dbraw/zinc/14/23/56/1099142356.db2.gz JARCUVIXOSHJOY-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP c1c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC001235715280 1099143933 /nfs/dbraw/zinc/14/39/33/1099143933.db2.gz PBGXJKSEKVYYLF-MRXNPFEDSA-N 2 1 312.482 3.458 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1CC ZINC001235716699 1099144267 /nfs/dbraw/zinc/14/42/67/1099144267.db2.gz GYMPYZFRFNWIQU-UHFFFAOYSA-N 2 1 304.478 3.469 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235726078 1099149361 /nfs/dbraw/zinc/14/93/61/1099149361.db2.gz MMZXEIHRANVJDW-IPYPFGDCSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235726078 1099149364 /nfs/dbraw/zinc/14/93/64/1099149364.db2.gz MMZXEIHRANVJDW-IPYPFGDCSA-N 2 1 312.379 3.106 20 0 DGADMP CC[NH2+]C1CC[NH+](Cc2cc3cc(OC)ccc3s2)CC1 ZINC001235726357 1099149479 /nfs/dbraw/zinc/14/94/79/1099149479.db2.gz NMOVWKFPVPCICB-UHFFFAOYSA-N 2 1 304.459 3.484 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001235727494 1099151285 /nfs/dbraw/zinc/15/12/85/1099151285.db2.gz SOJVJTLKCVHOEX-CRAIPNDOSA-N 2 1 320.502 3.175 20 0 DGADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC001235750203 1099163590 /nfs/dbraw/zinc/16/35/90/1099163590.db2.gz MBCHRAIGRQKCJJ-SFHVURJKSA-N 2 1 310.441 3.355 20 0 DGADMP C[NH2+]C1CC[NH+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001235796654 1099186126 /nfs/dbraw/zinc/18/61/26/1099186126.db2.gz UGCYJRJXTKHZEW-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP COCCC[N@H+](Cc1c(C)cc(C)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235807642 1099189166 /nfs/dbraw/zinc/18/91/66/1099189166.db2.gz PBCROPFKKHHRGS-SFHVURJKSA-N 2 1 304.478 3.202 20 0 DGADMP COCCC[N@@H+](Cc1c(C)cc(C)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235807642 1099189168 /nfs/dbraw/zinc/18/91/68/1099189168.db2.gz PBCROPFKKHHRGS-SFHVURJKSA-N 2 1 304.478 3.202 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001235839516 1099202982 /nfs/dbraw/zinc/20/29/82/1099202982.db2.gz CLGHOVJDZAPDAY-HXUWFJFHSA-N 2 1 324.468 3.238 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001235839516 1099202986 /nfs/dbraw/zinc/20/29/86/1099202986.db2.gz CLGHOVJDZAPDAY-HXUWFJFHSA-N 2 1 324.468 3.238 20 0 DGADMP C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235838634 1099203050 /nfs/dbraw/zinc/20/30/50/1099203050.db2.gz AJSRIEFLKKMIDS-UHFFFAOYSA-N 2 1 308.425 3.037 20 0 DGADMP COc1ccc(CC[N@@H+](C)CCC[NH2+]C2CCCCC2)cc1 ZINC001235840475 1099203101 /nfs/dbraw/zinc/20/31/01/1099203101.db2.gz NANZXEQHKBPFOZ-UHFFFAOYSA-N 2 1 304.478 3.482 20 0 DGADMP C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842186 1099205929 /nfs/dbraw/zinc/20/59/29/1099205929.db2.gz MJTQLLVEAFULAH-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP C[N@H+](Cc1cccc(OCc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842351 1099206326 /nfs/dbraw/zinc/20/63/26/1099206326.db2.gz OHJYECXHBXGCFO-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001235925674 1099263179 /nfs/dbraw/zinc/26/31/79/1099263179.db2.gz OPVHIUMWROHWEE-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001235925674 1099263184 /nfs/dbraw/zinc/26/31/84/1099263184.db2.gz OPVHIUMWROHWEE-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235928536 1099264418 /nfs/dbraw/zinc/26/44/18/1099264418.db2.gz ABUMZMWMSUBCIJ-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179992289 1099267196 /nfs/dbraw/zinc/26/71/96/1099267196.db2.gz RYZOXNFSZKSZEZ-UHFFFAOYSA-N 2 1 323.525 3.095 20 0 DGADMP COCCC[N@@H+](Cc1csc2ccccc12)C1CC[NH2+]CC1 ZINC001235936507 1099270161 /nfs/dbraw/zinc/27/01/61/1099270161.db2.gz COFGGDCGPDWYMG-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235942877 1099276329 /nfs/dbraw/zinc/27/63/29/1099276329.db2.gz YLUOWCPJUNVXEY-UYAOXDASSA-N 2 1 322.452 3.404 20 0 DGADMP Clc1ccc([C@H]2CC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235947780 1099280658 /nfs/dbraw/zinc/28/06/58/1099280658.db2.gz KZEGDHFMPRATOA-HNNXBMFYSA-N 2 1 315.848 3.234 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CO1 ZINC001235948342 1099281204 /nfs/dbraw/zinc/28/12/04/1099281204.db2.gz PNIHMKRQMLDCJB-ZBFHGGJFSA-N 2 1 308.853 3.244 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CO1 ZINC001235948342 1099281209 /nfs/dbraw/zinc/28/12/09/1099281209.db2.gz PNIHMKRQMLDCJB-ZBFHGGJFSA-N 2 1 308.853 3.244 20 0 DGADMP CC[N@@H+](CCCCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235948301 1099281591 /nfs/dbraw/zinc/28/15/91/1099281591.db2.gz NELFWZWOUWFUOQ-LJQANCHMSA-N 2 1 303.494 3.102 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235950805 1099283682 /nfs/dbraw/zinc/28/36/82/1099283682.db2.gz NGLQUGQSCXBZTL-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956247 1099287471 /nfs/dbraw/zinc/28/74/71/1099287471.db2.gz BGXOUYUGIJOYGX-AWEZNQCLSA-N 2 1 301.409 3.252 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235957809 1099289841 /nfs/dbraw/zinc/28/98/41/1099289841.db2.gz UPJTTWQIGLYBLB-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001235958053 1099289898 /nfs/dbraw/zinc/28/98/98/1099289898.db2.gz DPNUUYCWWBENAJ-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001235959021 1099291405 /nfs/dbraw/zinc/29/14/05/1099291405.db2.gz PHLYOOHHMDLNDD-CQSZACIVSA-N 2 1 307.507 3.396 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235959123 1099291872 /nfs/dbraw/zinc/29/18/72/1099291872.db2.gz UDSROBQJOGOQHO-RTBURBONSA-N 2 1 302.462 3.200 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235959168 1099292503 /nfs/dbraw/zinc/29/25/03/1099292503.db2.gz FYXNHIVDYRWTPC-WKCHPHFGSA-N 2 1 306.453 3.447 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC001180093247 1099293715 /nfs/dbraw/zinc/29/37/15/1099293715.db2.gz QRHKBSIWUMGCKJ-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC001180093247 1099293723 /nfs/dbraw/zinc/29/37/23/1099293723.db2.gz QRHKBSIWUMGCKJ-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC001180093247 1099293733 /nfs/dbraw/zinc/29/37/33/1099293733.db2.gz QRHKBSIWUMGCKJ-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC001180093247 1099293740 /nfs/dbraw/zinc/29/37/40/1099293740.db2.gz QRHKBSIWUMGCKJ-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001235963095 1099293806 /nfs/dbraw/zinc/29/38/06/1099293806.db2.gz QHGUOFGHBMQTIA-HOTGVXAUSA-N 2 1 300.462 3.341 20 0 DGADMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235963095 1099293813 /nfs/dbraw/zinc/29/38/13/1099293813.db2.gz QHGUOFGHBMQTIA-HOTGVXAUSA-N 2 1 300.462 3.341 20 0 DGADMP COc1ccccc1[C@@H](C)[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235961733 1099295019 /nfs/dbraw/zinc/29/50/19/1099295019.db2.gz FCIBLMPKBJYDGX-OAHLLOKOSA-N 2 1 302.462 3.468 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980535 1099308271 /nfs/dbraw/zinc/30/82/71/1099308271.db2.gz PZIIWGWFGBYDJC-JENIJYKNSA-N 2 1 306.494 3.077 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991139 1099314505 /nfs/dbraw/zinc/31/45/05/1099314505.db2.gz IDWZHBOHVKETBC-CTNGQTDRSA-N 2 1 321.468 3.343 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991139 1099314511 /nfs/dbraw/zinc/31/45/11/1099314511.db2.gz IDWZHBOHVKETBC-CTNGQTDRSA-N 2 1 321.468 3.343 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997493 1099320760 /nfs/dbraw/zinc/32/07/60/1099320760.db2.gz YPQAKHOHRPSCAW-RTWAWAEBSA-N 2 1 306.453 3.395 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997493 1099320771 /nfs/dbraw/zinc/32/07/71/1099320771.db2.gz YPQAKHOHRPSCAW-RTWAWAEBSA-N 2 1 306.453 3.395 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(F)c1 ZINC001236005609 1099327728 /nfs/dbraw/zinc/32/77/28/1099327728.db2.gz KNUVCONLZSNOAI-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236007361 1099329797 /nfs/dbraw/zinc/32/97/97/1099329797.db2.gz YTWUORXYVHZRGY-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044410 1099344481 /nfs/dbraw/zinc/34/44/81/1099344481.db2.gz LSSPCVHPJQTJKN-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044410 1099344492 /nfs/dbraw/zinc/34/44/92/1099344492.db2.gz LSSPCVHPJQTJKN-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044408 1099346183 /nfs/dbraw/zinc/34/61/83/1099346183.db2.gz LSSPCVHPJQTJKN-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044408 1099346187 /nfs/dbraw/zinc/34/61/87/1099346187.db2.gz LSSPCVHPJQTJKN-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001236068194 1099368423 /nfs/dbraw/zinc/36/84/23/1099368423.db2.gz VQBUIBKSUMIOPV-CQSZACIVSA-N 2 1 303.837 3.172 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001236068194 1099368410 /nfs/dbraw/zinc/36/84/10/1099368410.db2.gz VQBUIBKSUMIOPV-CQSZACIVSA-N 2 1 303.837 3.172 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1)c1cccc2ccccc21 ZINC001236074328 1099371893 /nfs/dbraw/zinc/37/18/93/1099371893.db2.gz XUHHJHLILPIMBE-LPHOPBHVSA-N 2 1 323.484 3.051 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)c2ccccc12 ZINC001236077738 1099375709 /nfs/dbraw/zinc/37/57/09/1099375709.db2.gz BCGUJSAVXQCUST-LJQANCHMSA-N 2 1 323.484 3.003 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236080463 1099376706 /nfs/dbraw/zinc/37/67/06/1099376706.db2.gz SXGGKTYFSBSPRQ-IEBWSBKVSA-N 2 1 307.526 3.114 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCC[NH2+]1 ZINC001236095082 1099385444 /nfs/dbraw/zinc/38/54/44/1099385444.db2.gz MINDVXGSGLQYMV-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCC[NH2+]1 ZINC001236095082 1099385456 /nfs/dbraw/zinc/38/54/56/1099385456.db2.gz MINDVXGSGLQYMV-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001236099550 1099387584 /nfs/dbraw/zinc/38/75/84/1099387584.db2.gz ZZPIVOUACOMUKP-GOSISDBHSA-N 2 1 308.425 3.288 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2cccc(Br)c2)CCC[NH2+]1 ZINC001236098602 1099388419 /nfs/dbraw/zinc/38/84/19/1099388419.db2.gz RYRMNYXPDOBOTP-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236100899 1099389453 /nfs/dbraw/zinc/38/94/53/1099389453.db2.gz KEHIHGQKFKIFIL-CZUORRHYSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236100899 1099389465 /nfs/dbraw/zinc/38/94/65/1099389465.db2.gz KEHIHGQKFKIFIL-CZUORRHYSA-N 2 1 312.404 3.008 20 0 DGADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC001236103735 1099392510 /nfs/dbraw/zinc/39/25/10/1099392510.db2.gz COEHZOUYNNMELR-RVHYNSKXSA-N 2 1 304.437 3.472 20 0 DGADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC001236103735 1099392522 /nfs/dbraw/zinc/39/25/22/1099392522.db2.gz COEHZOUYNNMELR-RVHYNSKXSA-N 2 1 304.437 3.472 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001236160164 1099438462 /nfs/dbraw/zinc/43/84/62/1099438462.db2.gz DETRIDKDBABNJE-VBNZEHGJSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001236160164 1099438468 /nfs/dbraw/zinc/43/84/68/1099438468.db2.gz DETRIDKDBABNJE-VBNZEHGJSA-N 2 1 312.379 3.453 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)cc(Cl)cc2OC)CC1 ZINC001236216317 1099471360 /nfs/dbraw/zinc/47/13/60/1099471360.db2.gz YHDTUGANNWGCAP-UHFFFAOYSA-N 2 1 314.832 3.450 20 0 DGADMP C[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216409 1099471748 /nfs/dbraw/zinc/47/17/48/1099471748.db2.gz KJWUIXSHJHWYQQ-NVXWUHKLSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216409 1099471757 /nfs/dbraw/zinc/47/17/57/1099471757.db2.gz KJWUIXSHJHWYQQ-NVXWUHKLSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216408 1099472027 /nfs/dbraw/zinc/47/20/27/1099472027.db2.gz KJWUIXSHJHWYQQ-DOTOQJQBSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216408 1099472033 /nfs/dbraw/zinc/47/20/33/1099472033.db2.gz KJWUIXSHJHWYQQ-DOTOQJQBSA-N 2 1 318.852 3.227 20 0 DGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC001236219435 1099477763 /nfs/dbraw/zinc/47/77/63/1099477763.db2.gz WEZWCIBKXBBSFD-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC001236219435 1099477772 /nfs/dbraw/zinc/47/77/72/1099477772.db2.gz WEZWCIBKXBBSFD-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236227060 1099483209 /nfs/dbraw/zinc/48/32/09/1099483209.db2.gz YUKVPHXXPZXNBZ-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236227060 1099483216 /nfs/dbraw/zinc/48/32/16/1099483216.db2.gz YUKVPHXXPZXNBZ-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+](Cc1cc(F)ccc1C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236226547 1099483814 /nfs/dbraw/zinc/48/38/14/1099483814.db2.gz OUHIFHMQGZKAGE-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236226547 1099483820 /nfs/dbraw/zinc/48/38/20/1099483820.db2.gz OUHIFHMQGZKAGE-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C1(C)CC[NH2+]CC1 ZINC001236227366 1099484562 /nfs/dbraw/zinc/48/45/62/1099484562.db2.gz DBEFTDRGSHLWCM-UHFFFAOYSA-N 2 1 319.836 3.168 20 0 DGADMP C[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C1(C)CC[NH2+]CC1 ZINC001236227366 1099484565 /nfs/dbraw/zinc/48/45/65/1099484565.db2.gz DBEFTDRGSHLWCM-UHFFFAOYSA-N 2 1 319.836 3.168 20 0 DGADMP Cc1sc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc1Br ZINC001236226459 1099484577 /nfs/dbraw/zinc/48/45/77/1099484577.db2.gz LTIHTMOHFHKXDC-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC[C@H]2C[NH2+]CCO2)cc1C ZINC001236244239 1099499371 /nfs/dbraw/zinc/49/93/71/1099499371.db2.gz JIZWCEMMDVBXKA-OALUTQOASA-N 2 1 302.462 3.209 20 0 DGADMP CCOC(=O)C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001236267007 1099507795 /nfs/dbraw/zinc/50/77/95/1099507795.db2.gz VMRKGJPDHGRMKO-SJORKVTESA-N 2 1 318.461 3.002 20 0 DGADMP CCOC(=O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001236267007 1099507806 /nfs/dbraw/zinc/50/78/06/1099507806.db2.gz VMRKGJPDHGRMKO-SJORKVTESA-N 2 1 318.461 3.002 20 0 DGADMP c1ccc(C[N@@H+](CCCc2ccncc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236268514 1099510557 /nfs/dbraw/zinc/51/05/57/1099510557.db2.gz FSBLRKJVNTVQTM-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@H+](CCCc2ccncc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236268514 1099510566 /nfs/dbraw/zinc/51/05/66/1099510566.db2.gz FSBLRKJVNTVQTM-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP Clc1ccccc1[C@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236316826 1099530337 /nfs/dbraw/zinc/53/03/37/1099530337.db2.gz USNAHVDYODPBCN-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236316826 1099530344 /nfs/dbraw/zinc/53/03/44/1099530344.db2.gz USNAHVDYODPBCN-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236321124 1099532954 /nfs/dbraw/zinc/53/29/54/1099532954.db2.gz XCMBPPOUFWMGHB-GASCZTMLSA-N 2 1 308.853 3.170 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)[nH]c2c1 ZINC001236321625 1099535188 /nfs/dbraw/zinc/53/51/88/1099535188.db2.gz JYRFGJNVNJNZCG-OKILXGFUSA-N 2 1 303.837 3.253 20 0 DGADMP Cc1nc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2s1 ZINC001236321713 1099535652 /nfs/dbraw/zinc/53/56/52/1099535652.db2.gz WHXXDXQQSIJPBR-GASCZTMLSA-N 2 1 301.459 3.036 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001236333925 1099543626 /nfs/dbraw/zinc/54/36/26/1099543626.db2.gz FOOURWOGAZTWLM-GOSISDBHSA-N 2 1 302.462 3.264 20 0 DGADMP C(C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C[NH+]1CCCCC1 ZINC001236372303 1099557274 /nfs/dbraw/zinc/55/72/74/1099557274.db2.gz CLLGASOGNGXFNR-GOSISDBHSA-N 3 1 307.526 3.107 20 0 DGADMP C(C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C[NH+]1CCCCC1 ZINC001236372303 1099557289 /nfs/dbraw/zinc/55/72/89/1099557289.db2.gz CLLGASOGNGXFNR-GOSISDBHSA-N 3 1 307.526 3.107 20 0 DGADMP COc1ncc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1C ZINC001236375444 1099560577 /nfs/dbraw/zinc/56/05/77/1099560577.db2.gz XRSWGLLIBJUQMJ-INIZCTEOSA-N 2 1 317.477 3.143 20 0 DGADMP CNc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375642 1099564427 /nfs/dbraw/zinc/56/44/27/1099564427.db2.gz LTVRJKDQUCYQJY-KRWDZBQOSA-N 2 1 301.478 3.473 20 0 DGADMP Oc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc(F)c1F ZINC001236376874 1099565158 /nfs/dbraw/zinc/56/51/58/1099565158.db2.gz VGLWFIFMMMXMSN-CYBMUJFWSA-N 2 1 324.415 3.415 20 0 DGADMP Oc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc(F)c1F ZINC001236376874 1099565167 /nfs/dbraw/zinc/56/51/67/1099565167.db2.gz VGLWFIFMMMXMSN-CYBMUJFWSA-N 2 1 324.415 3.415 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408499 1099581013 /nfs/dbraw/zinc/58/10/13/1099581013.db2.gz NSKGHIPJEYHBPF-GFCCVEGCSA-N 2 1 320.330 3.156 20 0 DGADMP CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236408488 1099581109 /nfs/dbraw/zinc/58/11/09/1099581109.db2.gz NIJCISMHBIAOQP-MRXNPFEDSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@H+](Cc1cc(C)ccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236407357 1099581913 /nfs/dbraw/zinc/58/19/13/1099581913.db2.gz DPIREIFINQIAIF-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@H+](Cc1ccc(Br)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236407805 1099582067 /nfs/dbraw/zinc/58/20/67/1099582067.db2.gz HRLMENJMBAWPIY-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+](Cc1cc(C)cc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236407996 1099582213 /nfs/dbraw/zinc/58/22/13/1099582213.db2.gz IYMBLGZDJQVQNK-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001236410081 1099584705 /nfs/dbraw/zinc/58/47/05/1099584705.db2.gz DFHLACSHXJZDKJ-LJQANCHMSA-N 2 1 322.452 3.330 20 0 DGADMP COc1ccc(C2=CC[N@@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236412089 1099586564 /nfs/dbraw/zinc/58/65/64/1099586564.db2.gz SKCKUFPGOIQVET-MRXNPFEDSA-N 2 1 300.446 3.174 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001236411241 1099586620 /nfs/dbraw/zinc/58/66/20/1099586620.db2.gz METNGLVKFUXTPP-GOSISDBHSA-N 2 1 308.425 3.288 20 0 DGADMP CC[N@H+](Cc1ccc(-c2ccc(O)cc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236412651 1099586741 /nfs/dbraw/zinc/58/67/41/1099586741.db2.gz XCSBXFSKGVZRBE-KRWDZBQOSA-N 2 1 310.441 3.491 20 0 DGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416683 1099591015 /nfs/dbraw/zinc/59/10/15/1099591015.db2.gz VUTFITSVHMIBMV-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416683 1099591024 /nfs/dbraw/zinc/59/10/24/1099591024.db2.gz VUTFITSVHMIBMV-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)CCC2 ZINC001236433452 1099609257 /nfs/dbraw/zinc/60/92/57/1099609257.db2.gz IOKQRJBDJVGGEG-UHFFFAOYSA-N 2 1 322.452 3.289 20 0 DGADMP COc1ccc(CC[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236453516 1099619893 /nfs/dbraw/zinc/61/98/93/1099619893.db2.gz DFNMXABYWAJNIM-UHFFFAOYSA-N 2 1 304.478 3.338 20 0 DGADMP CC(C)(C)C[N@H+](Cc1cccc2c1OCO2)C1CC[NH2+]CC1 ZINC001236456709 1099620474 /nfs/dbraw/zinc/62/04/74/1099620474.db2.gz FYRHNZOHQMRWMF-UHFFFAOYSA-N 2 1 304.434 3.015 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc2c1OCO2)C1CC[NH2+]CC1 ZINC001236456709 1099620477 /nfs/dbraw/zinc/62/04/77/1099620477.db2.gz FYRHNZOHQMRWMF-UHFFFAOYSA-N 2 1 304.434 3.015 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc2c1CCO2)C1CC[NH2+]CC1 ZINC001236459549 1099621596 /nfs/dbraw/zinc/62/15/96/1099621596.db2.gz UOILOGLJWJMWLU-UHFFFAOYSA-N 2 1 302.462 3.222 20 0 DGADMP CCOCC[N@@H+](Cc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC001236459898 1099622278 /nfs/dbraw/zinc/62/22/78/1099622278.db2.gz HDZLEXLWBKDQJE-UHFFFAOYSA-N 2 1 312.457 3.430 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458182 1099622563 /nfs/dbraw/zinc/62/25/63/1099622563.db2.gz SFDIHXBOGCVIGE-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP CCOCC[N@H+](Cc1csc2ccccc12)C1CC[NH2+]CC1 ZINC001236461572 1099624331 /nfs/dbraw/zinc/62/43/31/1099624331.db2.gz MHHZDTKWDKYGGP-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CCOCC[N@@H+](Cc1csc2ccccc12)C1CC[NH2+]CC1 ZINC001236461572 1099624336 /nfs/dbraw/zinc/62/43/36/1099624336.db2.gz MHHZDTKWDKYGGP-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CCOCC[N@@H+](Cc1ccccc1C(C)C)C1CC[NH2+]CC1 ZINC001236462236 1099625620 /nfs/dbraw/zinc/62/56/20/1099625620.db2.gz UKNNZRDPERPKME-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP CC(C)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001236529438 1099664500 /nfs/dbraw/zinc/66/45/00/1099664500.db2.gz YXFLSKQLMGQVJQ-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2C[C@@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543518 1099672712 /nfs/dbraw/zinc/67/27/12/1099672712.db2.gz XIAXSOHQGRXETL-DKIMLUQUSA-N 2 1 302.462 3.423 20 0 DGADMP CN(C)c1cc(F)cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550513 1099675799 /nfs/dbraw/zinc/67/57/99/1099675799.db2.gz JTHOGBYJLBEHQX-IYARVYRRSA-N 2 1 319.468 3.374 20 0 DGADMP COc1cc(C)cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236553675 1099677538 /nfs/dbraw/zinc/67/75/38/1099677538.db2.gz SIPWHODCMTVAEZ-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc2c1CCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552585 1099678034 /nfs/dbraw/zinc/67/80/34/1099678034.db2.gz SKFFBWQUBWMURO-QAQDUYKDSA-N 2 1 302.462 3.349 20 0 DGADMP Cc1cc(OC(C)C)ncc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001236580485 1099687954 /nfs/dbraw/zinc/68/79/54/1099687954.db2.gz LJDUCOSRBRAEDG-UHFFFAOYSA-N 2 1 322.412 3.179 20 0 DGADMP Fc1ccc2c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c[nH]c2c1 ZINC001236597279 1099693465 /nfs/dbraw/zinc/69/34/65/1099693465.db2.gz BFFDVLNVHQDEFU-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP CCOc1c(F)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236599232 1099695973 /nfs/dbraw/zinc/69/59/73/1099695973.db2.gz ANTICMJKZFMZLC-ZDUSSCGKSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236599232 1099695977 /nfs/dbraw/zinc/69/59/77/1099695977.db2.gz ANTICMJKZFMZLC-ZDUSSCGKSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1C ZINC001236601272 1099697182 /nfs/dbraw/zinc/69/71/82/1099697182.db2.gz MIYOWSHHAJQDAU-QGZVFWFLSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cnc1OC(C)C ZINC001236604961 1099698747 /nfs/dbraw/zinc/69/87/47/1099698747.db2.gz LCEDEYRVQZIHQZ-MRXNPFEDSA-N 2 1 317.477 3.141 20 0 DGADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cnc1OC(C)C ZINC001236604961 1099698753 /nfs/dbraw/zinc/69/87/53/1099698753.db2.gz LCEDEYRVQZIHQZ-MRXNPFEDSA-N 2 1 317.477 3.141 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)cc4c3OCCC4)C2)CC1 ZINC001236630024 1099713457 /nfs/dbraw/zinc/71/34/57/1099713457.db2.gz OGNYYLOALYBXAT-UHFFFAOYSA-N 2 1 318.436 3.068 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC23CC([NH3+])(C2)C3)Cc2ccccc2)CC1 ZINC001236681191 1099739688 /nfs/dbraw/zinc/73/96/88/1099739688.db2.gz DHGHYVNVLKXESP-RTWGARKQSA-N 3 1 313.489 3.030 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc4ccccc4cc3OC)C[C@@H]2C1 ZINC001236682777 1099741943 /nfs/dbraw/zinc/74/19/43/1099741943.db2.gz PKGUWMSTBVYTGQ-OALUTQOASA-N 2 1 310.441 3.232 20 0 DGADMP CCOc1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1F ZINC001236695479 1099744993 /nfs/dbraw/zinc/74/49/93/1099744993.db2.gz UZOGSRRNMBQPSH-UHFFFAOYSA-N 2 1 323.456 3.172 20 0 DGADMP COc1ccccc1C[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701408 1099748741 /nfs/dbraw/zinc/74/87/41/1099748741.db2.gz RZHPKBCOUYWPPB-DKIMLUQUSA-N 2 1 302.462 3.423 20 0 DGADMP COC(=O)CCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236756355 1099771840 /nfs/dbraw/zinc/77/18/40/1099771840.db2.gz VCAKIRWTPAOQIN-QAQDUYKDSA-N 2 1 310.482 3.092 20 0 DGADMP CCC(CC)[N@@H+](Cc1ccc2nonc2c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783123 1099780418 /nfs/dbraw/zinc/78/04/18/1099780418.db2.gz ZLWNQJXFFRBPOI-KOMQPUFPSA-N 2 1 316.449 3.483 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236820405 1099805420 /nfs/dbraw/zinc/80/54/20/1099805420.db2.gz RVIRKXGOTIFMJI-RCBQFDQVSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236820405 1099805430 /nfs/dbraw/zinc/80/54/30/1099805430.db2.gz RVIRKXGOTIFMJI-RCBQFDQVSA-N 2 1 308.853 3.296 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cc4ccccc4)cc3)C[C@@H]12 ZINC001236832029 1099818652 /nfs/dbraw/zinc/81/86/52/1099818652.db2.gz SWUUHYCCYZSQHZ-NJDAHSKKSA-N 2 1 306.453 3.447 20 0 DGADMP CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236835389 1099820785 /nfs/dbraw/zinc/82/07/85/1099820785.db2.gz MSMCLSIKMARNPJ-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC)c(CC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833470 1099821151 /nfs/dbraw/zinc/82/11/51/1099821151.db2.gz BULFKKBFVGHOAD-QGZVFWFLSA-N 2 1 304.478 3.469 20 0 DGADMP CCC[N@@H+](Cc1cccc(OC(C)C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236844335 1099829297 /nfs/dbraw/zinc/82/92/97/1099829297.db2.gz UFIPBGHBBQHPBA-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1cccc(OC(C)C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236844335 1099829305 /nfs/dbraw/zinc/82/93/05/1099829305.db2.gz UFIPBGHBBQHPBA-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001236913283 1099872620 /nfs/dbraw/zinc/87/26/20/1099872620.db2.gz KXKXIPGPOBTVCV-QGZVFWFLSA-N 2 1 317.820 3.281 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@@H]1O ZINC001236913806 1099872703 /nfs/dbraw/zinc/87/27/03/1099872703.db2.gz ODZJERGALQXAFM-DYVFJYSZSA-N 2 1 319.836 3.119 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@H]1O ZINC001236913251 1099874672 /nfs/dbraw/zinc/87/46/72/1099874672.db2.gz JPSVTPKLLRWTFW-DYVFJYSZSA-N 2 1 319.836 3.119 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC001236914456 1099874972 /nfs/dbraw/zinc/87/49/72/1099874972.db2.gz WQLFAGVNSCGNDF-KOMQPUFPSA-N 2 1 319.836 3.261 20 0 DGADMP c1ccc2c(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)n[nH]c2c1 ZINC001236948855 1099888681 /nfs/dbraw/zinc/88/86/81/1099888681.db2.gz SYUQQZLYHWXPGO-UHFFFAOYSA-N 2 1 312.461 3.165 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C[C@@H]([NH3+])c1ccccc1 ZINC001237001242 1099919390 /nfs/dbraw/zinc/91/93/90/1099919390.db2.gz VFJRFFUHKRRXDD-DBXWQHBBSA-N 2 1 323.484 3.281 20 0 DGADMP CCOC(=O)CCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001237078448 1099959971 /nfs/dbraw/zinc/95/99/71/1099959971.db2.gz CGXRNUUVHAQFSY-UHFFFAOYSA-N 2 1 320.477 3.351 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@](C)(C[NH3+])C3)cc2c1 ZINC001237081313 1099962723 /nfs/dbraw/zinc/96/27/23/1099962723.db2.gz KQKLOMXULHPXBJ-QGZVFWFLSA-N 2 1 304.459 3.471 20 0 DGADMP CC1(C[N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC[NH2+]CC1 ZINC001237188940 1100023924 /nfs/dbraw/zinc/02/39/24/1100023924.db2.gz SEIXBWBTBVNEFP-FQEVSTJZSA-N 2 1 316.464 3.495 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2Nc3ccc(Cl)cc3[C@@H]2C1 ZINC001237231503 1100042010 /nfs/dbraw/zinc/04/20/10/1100042010.db2.gz HTWYOEKGMUBCOI-RDJZCZTQSA-N 2 1 307.869 3.443 20 0 DGADMP C[C@H]1Cc2cc(Br)ccc2C[N@H+]1CCCCC[NH3+] ZINC001237237189 1100043534 /nfs/dbraw/zinc/04/35/34/1100043534.db2.gz SWHZYORWCPWIOV-LBPRGKRZSA-N 2 1 311.267 3.325 20 0 DGADMP FC1(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]CC1 ZINC001237237462 1100043569 /nfs/dbraw/zinc/04/35/69/1100043569.db2.gz VHLZYKKCWHUBSQ-GOEBONIOSA-N 2 1 323.843 3.015 20 0 DGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237257997 1100049166 /nfs/dbraw/zinc/04/91/66/1100049166.db2.gz JOKSDWYFRFUJLN-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCc2ccccc21 ZINC001237256925 1100049760 /nfs/dbraw/zinc/04/97/60/1100049760.db2.gz CSVTZVWWKPXRRC-NRFANRHFSA-N 2 1 321.468 3.216 20 0 DGADMP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001237264420 1100049872 /nfs/dbraw/zinc/04/98/72/1100049872.db2.gz HGEKVNCXLMCVGE-WBVHZDCISA-N 2 1 302.462 3.263 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)F)c(OC)c3)C[C@H]2C1 ZINC001237282208 1100058839 /nfs/dbraw/zinc/05/88/39/1100058839.db2.gz LMGZSOBXIMKQRA-OKILXGFUSA-N 2 1 310.388 3.016 20 0 DGADMP CCc1cccc(C)c1C[N@@H+](CCOC)C1CCN(C)CC1 ZINC001237327247 1100078768 /nfs/dbraw/zinc/07/87/68/1100078768.db2.gz PSLGDJDBECELKW-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP Fc1ccccc1CC[NH+]1CCC2(CC1)NCc1ccccc12 ZINC001237357902 1100093389 /nfs/dbraw/zinc/09/33/89/1100093389.db2.gz AXOCJIZMRASMRE-UHFFFAOYSA-N 2 1 310.416 3.463 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)nc1 ZINC001237406891 1100113567 /nfs/dbraw/zinc/11/35/67/1100113567.db2.gz VZNLNBIJWGUQAF-AZUAARDMSA-N 2 1 307.441 3.323 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2O1 ZINC001237408421 1100115725 /nfs/dbraw/zinc/11/57/25/1100115725.db2.gz ZWTOKTOFDYJTGB-ROUUACIJSA-N 2 1 314.473 3.364 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2O1 ZINC001237408421 1100115729 /nfs/dbraw/zinc/11/57/29/1100115729.db2.gz ZWTOKTOFDYJTGB-ROUUACIJSA-N 2 1 314.473 3.364 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237415241 1100119818 /nfs/dbraw/zinc/11/98/18/1100119818.db2.gz PKRRAQZSFWJISE-AEFFLSMTSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237415241 1100119831 /nfs/dbraw/zinc/11/98/31/1100119831.db2.gz PKRRAQZSFWJISE-AEFFLSMTSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2s1 ZINC001237419014 1100121337 /nfs/dbraw/zinc/12/13/37/1100121337.db2.gz ZAWNIWFGHORSJX-GJZGRUSLSA-N 2 1 301.459 3.179 20 0 DGADMP Cc1nc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2s1 ZINC001237419014 1100121343 /nfs/dbraw/zinc/12/13/43/1100121343.db2.gz ZAWNIWFGHORSJX-GJZGRUSLSA-N 2 1 301.459 3.179 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2OCC3)CC1 ZINC001237751430 1100236348 /nfs/dbraw/zinc/23/63/48/1100236348.db2.gz RUHMIFYFXZXXIS-UHFFFAOYSA-N 2 1 302.462 3.174 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)CC3(C)COC3)cc21 ZINC001237880262 1100278111 /nfs/dbraw/zinc/27/81/11/1100278111.db2.gz HVGBWVOPZPOSHE-UHFFFAOYSA-N 2 1 300.446 3.156 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](O)CC[C@H]3C)cc21 ZINC001237881492 1100279918 /nfs/dbraw/zinc/27/99/18/1100279918.db2.gz ULWCVUSIINNARQ-PBHICJAKSA-N 2 1 300.446 3.033 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@](C)(O)[C@H](C)C3)cc21 ZINC001237880982 1100279928 /nfs/dbraw/zinc/27/99/28/1100279928.db2.gz LWTWNPAOCCWXHY-QRWLVFNGSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3CO)cc21 ZINC001237880751 1100280149 /nfs/dbraw/zinc/28/01/49/1100280149.db2.gz JXXRTHNFMJLQQQ-KXBFYZLASA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](C)CC3)cc21 ZINC001237880686 1100280898 /nfs/dbraw/zinc/28/08/98/1100280898.db2.gz IPRVZVGVCYAFCK-HNAYVOBHSA-N 2 1 314.473 3.281 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911785 1100290648 /nfs/dbraw/zinc/29/06/48/1100290648.db2.gz GGSPCBHQAQPVSE-UYAOXDASSA-N 2 1 314.473 3.107 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103999 1100362267 /nfs/dbraw/zinc/36/22/67/1100362267.db2.gz PUGCBWRKXGUPIV-HNNXBMFYSA-N 2 1 307.397 3.332 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103999 1100362278 /nfs/dbraw/zinc/36/22/78/1100362278.db2.gz PUGCBWRKXGUPIV-HNNXBMFYSA-N 2 1 307.397 3.332 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc2c[nH+]cn21 ZINC001238114300 1100364552 /nfs/dbraw/zinc/36/45/52/1100364552.db2.gz RFKYERVCWUIQJA-KRWDZBQOSA-N 2 1 320.440 3.041 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2C[NH+]2CCCC2)c1C ZINC001238175819 1100380006 /nfs/dbraw/zinc/38/00/06/1100380006.db2.gz JVQNVVPYQIHKBL-KRWDZBQOSA-N 2 1 317.477 3.157 20 0 DGADMP CCCCCC[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC001238175793 1100380873 /nfs/dbraw/zinc/38/08/73/1100380873.db2.gz JGYVSTGGINJBRL-UHFFFAOYSA-N 2 1 319.493 3.405 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001238478792 1100453671 /nfs/dbraw/zinc/45/36/71/1100453671.db2.gz BDDTWRAMDQUNRG-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001238478792 1100453674 /nfs/dbraw/zinc/45/36/74/1100453674.db2.gz BDDTWRAMDQUNRG-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001238478792 1100453680 /nfs/dbraw/zinc/45/36/80/1100453680.db2.gz BDDTWRAMDQUNRG-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001238478792 1100453683 /nfs/dbraw/zinc/45/36/83/1100453683.db2.gz BDDTWRAMDQUNRG-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001238613604 1100484375 /nfs/dbraw/zinc/48/43/75/1100484375.db2.gz OSDRXOUQKNKOIZ-QUCCMNQESA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001238613604 1100484376 /nfs/dbraw/zinc/48/43/76/1100484376.db2.gz OSDRXOUQKNKOIZ-QUCCMNQESA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001238613604 1100484380 /nfs/dbraw/zinc/48/43/80/1100484380.db2.gz OSDRXOUQKNKOIZ-QUCCMNQESA-N 2 1 321.468 3.441 20 0 DGADMP C[N@H+](Cc1cc(F)cc(N2CCCC2)c1)CC1CC[NH+](C)CC1 ZINC001238702959 1100506289 /nfs/dbraw/zinc/50/62/89/1100506289.db2.gz ZCUUNUDGMMYUQM-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1Cl ZINC001238799165 1100534884 /nfs/dbraw/zinc/53/48/84/1100534884.db2.gz UPHPAOHKNCDPQE-UHFFFAOYSA-N 2 1 312.816 3.015 20 0 DGADMP c1ccc(C[N@H+]2CCc3nc(C4=CCC[NH2+]CC4)ccc3C2)cc1 ZINC001238935802 1100559999 /nfs/dbraw/zinc/55/99/99/1100559999.db2.gz JCRDCVPIRYMHCF-UHFFFAOYSA-N 2 1 319.452 3.407 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cncc(Cl)c2Cl)CC1 ZINC001205591436 1100605458 /nfs/dbraw/zinc/60/54/58/1100605458.db2.gz MWCUIJPEUVXWCY-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cncc(Cl)c2Cl)CC1 ZINC001205591436 1100605463 /nfs/dbraw/zinc/60/54/63/1100605463.db2.gz MWCUIJPEUVXWCY-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC)cc3C)C[C@H]2C1 ZINC001203758205 1100619641 /nfs/dbraw/zinc/61/96/41/1100619641.db2.gz LHUFGSMJQDTBJL-QZTJIDSGSA-N 2 1 302.462 3.086 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001239681158 1100723954 /nfs/dbraw/zinc/72/39/54/1100723954.db2.gz ASKKZJZERYXUGK-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP COc1cccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1F ZINC001239750400 1100742746 /nfs/dbraw/zinc/74/27/46/1100742746.db2.gz AVSUNAWAJZEEHU-UHFFFAOYSA-N 2 1 314.404 3.424 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205637680 1100768226 /nfs/dbraw/zinc/76/82/26/1100768226.db2.gz IDVANCGROUHOJU-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205662690 1100918442 /nfs/dbraw/zinc/91/84/42/1100918442.db2.gz DEUIIIFMRHBHOI-WCQYABFASA-N 2 1 315.383 3.216 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC001240408673 1100984138 /nfs/dbraw/zinc/98/41/38/1100984138.db2.gz PWBYFIHVXFBHMF-UHFFFAOYSA-N 2 1 323.484 3.163 20 0 DGADMP C[N@@H+]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2C1 ZINC001240478621 1101015307 /nfs/dbraw/zinc/01/53/07/1101015307.db2.gz QJENPYBKVFKOIJ-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP C[N@H+]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2C1 ZINC001240478621 1101015313 /nfs/dbraw/zinc/01/53/13/1101015313.db2.gz QJENPYBKVFKOIJ-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C)o2)CC1 ZINC001203300961 1101144214 /nfs/dbraw/zinc/14/42/14/1101144214.db2.gz YPFPGAAUOQPZLG-UHFFFAOYSA-N 2 1 321.509 3.218 20 0 DGADMP C(c1ccc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c2c1)=C1CC[NH2+]CC1 ZINC001240878884 1101168317 /nfs/dbraw/zinc/16/83/17/1101168317.db2.gz SJEUWKPYLJYTKV-DAYGRLMNSA-N 2 1 308.429 3.143 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC001205734326 1101224823 /nfs/dbraw/zinc/22/48/23/1101224823.db2.gz DKHAMDUIDRLTEU-UMVBOHGHSA-N 2 1 314.807 3.359 20 0 DGADMP CC(=O)c1ccccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001241208210 1101296880 /nfs/dbraw/zinc/29/68/80/1101296880.db2.gz ICEQRLJFYMGMQQ-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP CCCCN(C[C@H]1CCC[N@H+]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546484 1101337803 /nfs/dbraw/zinc/33/78/03/1101337803.db2.gz ZMEPJJFBJSSNIU-MRXNPFEDSA-N 2 1 309.542 3.492 20 0 DGADMP CCCC[N@H+](C[C@H]1CCCN1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546484 1101337817 /nfs/dbraw/zinc/33/78/17/1101337817.db2.gz ZMEPJJFBJSSNIU-MRXNPFEDSA-N 2 1 309.542 3.492 20 0 DGADMP CCCC[N@@H+](C[C@H]1CCCN1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546484 1101337831 /nfs/dbraw/zinc/33/78/31/1101337831.db2.gz ZMEPJJFBJSSNIU-MRXNPFEDSA-N 2 1 309.542 3.492 20 0 DGADMP C[N@@H+]1CC=C(c2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)CC1 ZINC001241319129 1101372918 /nfs/dbraw/zinc/37/29/18/1101372918.db2.gz CTVRZALFQXOGMB-QGZVFWFLSA-N 2 1 310.445 3.070 20 0 DGADMP COc1ccc(C2=CC[N@@H+](C)CC2)cc1C[NH+]1CCCCC1 ZINC001241331950 1101379661 /nfs/dbraw/zinc/37/96/61/1101379661.db2.gz CBBCYJWJGHMEBV-UHFFFAOYSA-N 2 1 300.446 3.400 20 0 DGADMP COCC[C@H](C)[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001196961795 1101445483 /nfs/dbraw/zinc/44/54/83/1101445483.db2.gz MBGMYURZYYFOEA-DFQSSKMNSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC)Cc1ccc(-c2cc(-n3cc[nH+]c3C)ncn2)cc1 ZINC001241575405 1101557036 /nfs/dbraw/zinc/55/70/36/1101557036.db2.gz HOFHXBKRFYGZLX-UHFFFAOYSA-N 2 1 321.428 3.480 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CCN1c1cc[nH+]cc1 ZINC001197369147 1101557442 /nfs/dbraw/zinc/55/74/42/1101557442.db2.gz VFCWLHJJXDOQDV-IFXJQAMLSA-N 2 1 311.404 3.419 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOC1CCCCCC1 ZINC001197929224 1101703587 /nfs/dbraw/zinc/70/35/87/1101703587.db2.gz FIECCAUFEQUVTG-KRWDZBQOSA-N 2 1 317.477 3.332 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001241981306 1101825664 /nfs/dbraw/zinc/82/56/64/1101825664.db2.gz SUPFCMHFDFHCDD-UHFFFAOYSA-N 2 1 323.440 3.121 20 0 DGADMP [NH3+]C1(c2ccc(-c3ccccc3C[NH+]3CCOCC3)cc2)CC1 ZINC001241988031 1101835844 /nfs/dbraw/zinc/83/58/44/1101835844.db2.gz BIMKELFKXCSART-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP c1[nH]nc2c1cccc2C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001199238267 1102089961 /nfs/dbraw/zinc/08/99/61/1102089961.db2.gz MVGUKEVHAYNVKL-UHFFFAOYSA-N 2 1 320.440 3.101 20 0 DGADMP c1[nH]nc2c1cccc2C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001199238267 1102089977 /nfs/dbraw/zinc/08/99/77/1102089977.db2.gz MVGUKEVHAYNVKL-UHFFFAOYSA-N 2 1 320.440 3.101 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3nsnc32)C1 ZINC001199345912 1102112230 /nfs/dbraw/zinc/11/22/30/1102112230.db2.gz VLGKKDJIBKOZMQ-AWEZNQCLSA-N 2 1 318.490 3.293 20 0 DGADMP Cc1[nH+]ccn1-c1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)ncn1 ZINC001242689480 1102286427 /nfs/dbraw/zinc/28/64/27/1102286427.db2.gz RHLKTPWMGPJLCL-INIZCTEOSA-N 2 1 309.417 3.002 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(-c3cnn(C4CC[NH+](C)CC4)c3)cc2)C1 ZINC001242732534 1102316041 /nfs/dbraw/zinc/31/60/41/1102316041.db2.gz GMUPFTHXISEIMV-SFHVURJKSA-N 2 1 324.472 3.236 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC001200989518 1102465655 /nfs/dbraw/zinc/46/56/55/1102465655.db2.gz ODRHIXJVNPJKQB-YSDSKTICSA-N 2 1 316.489 3.300 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCCCC1)C2 ZINC001201394461 1102567115 /nfs/dbraw/zinc/56/71/15/1102567115.db2.gz VIHRKDVZEMGKQB-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCCCC1)C2 ZINC001201394461 1102567124 /nfs/dbraw/zinc/56/71/24/1102567124.db2.gz VIHRKDVZEMGKQB-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCCCC1)C2 ZINC001201394461 1102567130 /nfs/dbraw/zinc/56/71/30/1102567130.db2.gz VIHRKDVZEMGKQB-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP CC(C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201470348 1102594707 /nfs/dbraw/zinc/59/47/07/1102594707.db2.gz GUMPNSHUGQOXCQ-UXHICEINSA-N 2 1 320.521 3.103 20 0 DGADMP CC(C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201470348 1102594717 /nfs/dbraw/zinc/59/47/17/1102594717.db2.gz GUMPNSHUGQOXCQ-UXHICEINSA-N 2 1 320.521 3.103 20 0 DGADMP CC(C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201470348 1102594727 /nfs/dbraw/zinc/59/47/27/1102594727.db2.gz GUMPNSHUGQOXCQ-UXHICEINSA-N 2 1 320.521 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201543266 1102631755 /nfs/dbraw/zinc/63/17/55/1102631755.db2.gz OPDIFJGTFMFWBT-DLBZAZTESA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201620390 1102675174 /nfs/dbraw/zinc/67/51/74/1102675174.db2.gz MOWPUHGKUIFQSF-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)CC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201620392 1102675779 /nfs/dbraw/zinc/67/57/79/1102675779.db2.gz MRRVDMBMRBQNDT-UHFFFAOYSA-N 2 1 301.478 3.416 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CC2CCCCCC2)C1 ZINC001201954073 1102770376 /nfs/dbraw/zinc/77/03/76/1102770376.db2.gz GLKHLJYRMVXFNG-HXUWFJFHSA-N 2 1 316.489 3.313 20 0 DGADMP CCOc1ccc(Cl)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001243567595 1102810471 /nfs/dbraw/zinc/81/04/71/1102810471.db2.gz YHYCRXPLIJJOGN-UHFFFAOYSA-N 2 1 317.820 3.210 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC001325743421 1103114544 /nfs/dbraw/zinc/11/45/44/1103114544.db2.gz NAQYQUOLVBSSML-NXEZZACHSA-N 2 1 303.219 3.237 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC001326037582 1103190666 /nfs/dbraw/zinc/19/06/66/1103190666.db2.gz MZGOIYZWYHUZGC-WNRNVDISSA-N 2 1 316.493 3.352 20 0 DGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297812 1103191361 /nfs/dbraw/zinc/19/13/61/1103191361.db2.gz WMRQBNRLPAGTFN-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC2(CN(Cc3c[nH+]c(C)n3C)C2)C1 ZINC001276304568 1103264455 /nfs/dbraw/zinc/26/44/55/1103264455.db2.gz IFPMVHMMPLNMEX-QGZVFWFLSA-N 2 1 318.509 3.063 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(Cc1cnc(C)n1C)C2 ZINC001276304764 1103264719 /nfs/dbraw/zinc/26/47/19/1103264719.db2.gz KYBHPWTZUDBXJW-KRWDZBQOSA-N 2 1 318.509 3.205 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC2(CN(Cc3c[nH+]c(C)n3C)C2)C1 ZINC001276304567 1103265484 /nfs/dbraw/zinc/26/54/84/1103265484.db2.gz IFPMVHMMPLNMEX-KRWDZBQOSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000689000515 1103277446 /nfs/dbraw/zinc/27/74/46/1103277446.db2.gz ZHKMVEYLASVMQT-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000689000515 1103277455 /nfs/dbraw/zinc/27/74/55/1103277455.db2.gz ZHKMVEYLASVMQT-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP COc1cc(F)c(C)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606216 1103341714 /nfs/dbraw/zinc/34/17/14/1103341714.db2.gz HFRFEIIZQAPWEM-MRXNPFEDSA-N 2 1 308.441 3.495 20 0 DGADMP COc1cc(F)c(C)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606215 1103343744 /nfs/dbraw/zinc/34/37/44/1103343744.db2.gz HFRFEIIZQAPWEM-INIZCTEOSA-N 2 1 308.441 3.495 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327090958 1103516339 /nfs/dbraw/zinc/51/63/39/1103516339.db2.gz XMGGIVGQSZMQIU-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001327172568 1103565604 /nfs/dbraw/zinc/56/56/04/1103565604.db2.gz KVIJSUDPFJLMMA-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc1Br ZINC001137616660 1103968213 /nfs/dbraw/zinc/96/82/13/1103968213.db2.gz VVOMUPOLGZLGFV-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP FC(F)(F)c1cnccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001245444478 1104061237 /nfs/dbraw/zinc/06/12/37/1104061237.db2.gz DPMHJLCVLZAKQB-UHFFFAOYSA-N 2 1 318.302 3.102 20 0 DGADMP C[N@@H+](CC1CCOCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001202597070 1104076813 /nfs/dbraw/zinc/07/68/13/1104076813.db2.gz PMBZUJZMNDFUMY-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP FC(F)c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001329115367 1104159325 /nfs/dbraw/zinc/15/93/25/1104159325.db2.gz VNSNSGCEGILYFJ-KRWDZBQOSA-N 2 1 324.415 3.357 20 0 DGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC001329433581 1104264639 /nfs/dbraw/zinc/26/46/39/1104264639.db2.gz KLIDTTOPJTUDEX-UHFFFAOYSA-N 2 1 324.472 3.053 20 0 DGADMP CCCCC[C@H](O)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246048187 1104357367 /nfs/dbraw/zinc/35/73/67/1104357367.db2.gz VVJUWMKCAIFXFZ-SFHVURJKSA-N 2 1 316.489 3.065 20 0 DGADMP CCCCC[C@@H](O)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246057615 1104361596 /nfs/dbraw/zinc/36/15/96/1104361596.db2.gz ZXUNJTLXSSBWKG-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2OC)CC[NH2+]1 ZINC001246073541 1104367198 /nfs/dbraw/zinc/36/71/98/1104367198.db2.gz GCTDDIXRIDXZAF-CVEARBPZSA-N 2 1 306.450 3.104 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2OC)CC[NH2+]1 ZINC001246073544 1104367354 /nfs/dbraw/zinc/36/73/54/1104367354.db2.gz GCTDDIXRIDXZAF-JKSUJKDBSA-N 2 1 306.450 3.104 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246074305 1104368022 /nfs/dbraw/zinc/36/80/22/1104368022.db2.gz NZFGKLHURFWWPI-HOTGVXAUSA-N 2 1 306.450 3.104 20 0 DGADMP CC[C@@H]1CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246073806 1104368389 /nfs/dbraw/zinc/36/83/89/1104368389.db2.gz KEZGDXVIJYTIKR-GUDVDZBRSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1CC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246073806 1104368400 /nfs/dbraw/zinc/36/84/00/1104368400.db2.gz KEZGDXVIJYTIKR-GUDVDZBRSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)C[NH2+]1 ZINC001246074923 1104370008 /nfs/dbraw/zinc/37/00/08/1104370008.db2.gz GHEXQTPUOUSCDY-JCHJZTRSSA-N 2 1 302.462 3.245 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246075555 1104370052 /nfs/dbraw/zinc/37/00/52/1104370052.db2.gz VROGBYWWRWLBHV-ZSHCYNCHSA-N 2 1 306.450 3.103 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246076284 1104371972 /nfs/dbraw/zinc/37/19/72/1104371972.db2.gz MGSQOMNPUCASNE-KANFNMMFSA-N 2 1 302.462 3.245 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246092568 1104380327 /nfs/dbraw/zinc/38/03/27/1104380327.db2.gz DPONJRFUOHKGAN-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098707 1104383809 /nfs/dbraw/zinc/38/38/09/1104383809.db2.gz RPPRLHQWRHCYQV-XUJVJEKNSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@@H]1C[C@H](NC[C@]2(C)CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001246096756 1104384729 /nfs/dbraw/zinc/38/47/29/1104384729.db2.gz FWPWGLJTUAWXDI-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001246096756 1104384740 /nfs/dbraw/zinc/38/47/40/1104384740.db2.gz FWPWGLJTUAWXDI-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001246101898 1104385943 /nfs/dbraw/zinc/38/59/43/1104385943.db2.gz MVNOYZCRFYAVDV-JYPHPWERSA-N 2 1 302.462 3.102 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104931 1104387713 /nfs/dbraw/zinc/38/77/13/1104387713.db2.gz AEXZFBXDHSQTIP-PIKOESSRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC001246104931 1104387724 /nfs/dbraw/zinc/38/77/24/1104387724.db2.gz AEXZFBXDHSQTIP-PIKOESSRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC001246104931 1104387735 /nfs/dbraw/zinc/38/77/35/1104387735.db2.gz AEXZFBXDHSQTIP-PIKOESSRSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104931 1104387747 /nfs/dbraw/zinc/38/77/47/1104387747.db2.gz AEXZFBXDHSQTIP-PIKOESSRSA-N 3 1 315.505 3.017 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001246105443 1104388387 /nfs/dbraw/zinc/38/83/87/1104388387.db2.gz BMEZKQJXUOAZGM-MAUKXSAKSA-N 2 1 308.441 3.088 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246108173 1104390308 /nfs/dbraw/zinc/39/03/08/1104390308.db2.gz GAQIJKAFMVANLU-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H](C)[NH2+]1 ZINC001246113024 1104392570 /nfs/dbraw/zinc/39/25/70/1104392570.db2.gz HKNNMRWYQWIAIW-XOIINTDNSA-N 2 1 318.461 3.261 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246131413 1104400538 /nfs/dbraw/zinc/40/05/38/1104400538.db2.gz JVBMCUWEFUUMSA-IUODEOHRSA-N 2 1 323.278 3.112 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC001246158804 1104409606 /nfs/dbraw/zinc/40/96/06/1104409606.db2.gz MDDKJPARMQQHKY-UWVGGRQHSA-N 2 1 304.331 3.463 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246182903 1104426747 /nfs/dbraw/zinc/42/67/47/1104426747.db2.gz BBLFTGGNDODHCE-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP Clc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246167186 1104415442 /nfs/dbraw/zinc/41/54/42/1104415442.db2.gz DPXIVGSCVMAGMR-INIZCTEOSA-N 2 1 307.869 3.041 20 0 DGADMP c1ccc(COC2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246170790 1104417724 /nfs/dbraw/zinc/41/77/24/1104417724.db2.gz UCOTUPSYQXMNMF-XBMUEBEBSA-N 2 1 302.462 3.246 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC001246172865 1104420607 /nfs/dbraw/zinc/42/06/07/1104420607.db2.gz DKBVDMMIFRRMOI-WMLDXEAASA-N 2 1 309.885 3.065 20 0 DGADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246188560 1104429973 /nfs/dbraw/zinc/42/99/73/1104429973.db2.gz IOYRXFFFLGDOLU-PIKOESSRSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196240 1104433408 /nfs/dbraw/zinc/43/34/08/1104433408.db2.gz RTRCSXHYGXEFIW-QZTJIDSGSA-N 2 1 307.526 3.295 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196240 1104433413 /nfs/dbraw/zinc/43/34/13/1104433413.db2.gz RTRCSXHYGXEFIW-QZTJIDSGSA-N 3 1 307.526 3.295 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196240 1104433416 /nfs/dbraw/zinc/43/34/16/1104433416.db2.gz RTRCSXHYGXEFIW-QZTJIDSGSA-N 3 1 307.526 3.295 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246204725 1104437106 /nfs/dbraw/zinc/43/71/06/1104437106.db2.gz ZBGWHNCQVQKDLK-NOCIGQNYSA-N 3 1 319.468 3.034 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001246213710 1104439107 /nfs/dbraw/zinc/43/91/07/1104439107.db2.gz ZULXOEHNNDOWHF-LJQANCHMSA-N 2 1 322.452 3.204 20 0 DGADMP Cc1cccc2c1CC[C@@H]([NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F)C2 ZINC001246219282 1104441784 /nfs/dbraw/zinc/44/17/84/1104441784.db2.gz GUQKRGQTYAYRDD-NVXWUHKLSA-N 2 1 308.416 3.077 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246221483 1104443017 /nfs/dbraw/zinc/44/30/17/1104443017.db2.gz CWURPDHLIIMORU-DDFAGTSDSA-N 2 1 304.331 3.463 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246227193 1104447249 /nfs/dbraw/zinc/44/72/49/1104447249.db2.gz GOPDPRNCIFQWRM-CHWSQXEVSA-N 2 1 314.807 3.032 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)c1C(F)(F)F ZINC001246232229 1104449078 /nfs/dbraw/zinc/44/90/78/1104449078.db2.gz HYYQBJQXTJDQFT-LBPRGKRZSA-N 2 1 316.367 3.334 20 0 DGADMP Cc1c(CC[NH2+][C@H]2CC[NH2+]C2)c2ccccc2n1-c1ccccc1 ZINC001246246554 1104457332 /nfs/dbraw/zinc/45/73/32/1104457332.db2.gz VUJLTFBYDZLDFT-KRWDZBQOSA-N 2 1 319.452 3.433 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCc2ccccc2Br)C[NH2+]1 ZINC001246255118 1104460989 /nfs/dbraw/zinc/46/09/89/1104460989.db2.gz KBVCRAUIHANVRB-OCCSQVGLSA-N 2 1 311.267 3.112 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246259379 1104462887 /nfs/dbraw/zinc/46/28/87/1104462887.db2.gz OJJGXPZGEBOFCR-YVSFHVDLSA-N 2 1 310.869 3.272 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299446 1104478712 /nfs/dbraw/zinc/47/87/12/1104478712.db2.gz KLSKGNYEGDLNNU-KDOFPFPSSA-N 2 1 302.849 3.431 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC001246324015 1104489549 /nfs/dbraw/zinc/48/95/49/1104489549.db2.gz DOOLFSKAJFPFJO-AXAPSJFSSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001246334133 1104496491 /nfs/dbraw/zinc/49/64/91/1104496491.db2.gz YUZLKPIXVOOMGJ-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC001246339002 1104499224 /nfs/dbraw/zinc/49/92/24/1104499224.db2.gz HNCGSQVYEJEOKF-NBYUQASBSA-N 2 1 313.489 3.043 20 0 DGADMP C[C@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@H+]1Cc1ccccc1 ZINC001246339002 1104499229 /nfs/dbraw/zinc/49/92/29/1104499229.db2.gz HNCGSQVYEJEOKF-NBYUQASBSA-N 2 1 313.489 3.043 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246352612 1104504187 /nfs/dbraw/zinc/50/41/87/1104504187.db2.gz XTDLTROTQIOQTL-PBHICJAKSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246354657 1104506269 /nfs/dbraw/zinc/50/62/69/1104506269.db2.gz YCHDJGPBXCVWEB-XCLNPWKQSA-N 2 1 310.441 3.191 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246360728 1104508146 /nfs/dbraw/zinc/50/81/46/1104508146.db2.gz JCPWMGQGSOGEED-MOPGFXCFSA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246360728 1104508160 /nfs/dbraw/zinc/50/81/60/1104508160.db2.gz JCPWMGQGSOGEED-MOPGFXCFSA-N 3 1 319.537 3.153 20 0 DGADMP CCCC[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246360072 1104508688 /nfs/dbraw/zinc/50/86/88/1104508688.db2.gz ILVZCIKWCSLKTF-FGTMMUONSA-N 2 1 307.526 3.294 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccn3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246366962 1104511083 /nfs/dbraw/zinc/51/10/83/1104511083.db2.gz LFXWTJDGWACRNM-HOCLYGCPSA-N 2 1 323.431 3.302 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C[NH2+]1 ZINC001246383359 1104518793 /nfs/dbraw/zinc/51/87/93/1104518793.db2.gz IKRYBXNLCGULBH-WFASDCNBSA-N 2 1 312.379 3.368 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CN1 ZINC001246387534 1104521245 /nfs/dbraw/zinc/52/12/45/1104521245.db2.gz GUFGIFRBQYHEOR-RHSMWYFYSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246387534 1104521249 /nfs/dbraw/zinc/52/12/49/1104521249.db2.gz GUFGIFRBQYHEOR-RHSMWYFYSA-N 2 1 322.880 3.118 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2OC)C2CC2)CC[NH2+]1 ZINC001246391711 1104522634 /nfs/dbraw/zinc/52/26/34/1104522634.db2.gz GQADVEWKVLWNQW-SOLBZPMBSA-N 2 1 317.477 3.442 20 0 DGADMP Clc1ccccc1C1(C[NH2+][C@@H]2CCCC[NH2+]C2)CCOCC1 ZINC001246394127 1104523823 /nfs/dbraw/zinc/52/38/23/1104523823.db2.gz QZCSKBKVGQCAEH-OAHLLOKOSA-N 2 1 322.880 3.120 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246394825 1104523900 /nfs/dbraw/zinc/52/39/00/1104523900.db2.gz JXRIEGRZNYTIOG-MOPGFXCFSA-N 2 1 315.505 3.019 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246414964 1104532520 /nfs/dbraw/zinc/53/25/20/1104532520.db2.gz WCCDHHYJRMRZMY-ZWKOTPCHSA-N 2 1 304.478 3.145 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001274890564 1104535536 /nfs/dbraw/zinc/53/55/36/1104535536.db2.gz JWSAWMOTRFCLAG-UHFFFAOYSA-N 2 1 316.489 3.436 20 0 DGADMP CC[C@H]1CC([NH2+]C2(CC3CCC3)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246446553 1104542552 /nfs/dbraw/zinc/54/25/52/1104542552.db2.gz LXWQCMSYVSTNKQ-IRXDYDNUSA-N 3 1 307.526 3.198 20 0 DGADMP C[C@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001246454634 1104543969 /nfs/dbraw/zinc/54/39/69/1104543969.db2.gz FIBBLZMFEFCQBU-UYAOXDASSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CCOCC2)c2ccccc2F)CC[NH2+]1 ZINC001246459827 1104548040 /nfs/dbraw/zinc/54/80/40/1104548040.db2.gz SRRUSNLXFXDIFF-SIXWZSSISA-N 2 1 320.452 3.414 20 0 DGADMP c1cncc(CCC[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001274968277 1104562589 /nfs/dbraw/zinc/56/25/89/1104562589.db2.gz HWSOUMBWSDXWJS-UHFFFAOYSA-N 2 1 313.489 3.355 20 0 DGADMP c1cncc(CCC[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001274968277 1104562598 /nfs/dbraw/zinc/56/25/98/1104562598.db2.gz HWSOUMBWSDXWJS-UHFFFAOYSA-N 2 1 313.489 3.355 20 0 DGADMP CCC[C@H]1CC[C@H](C2CCC([NH2+]C[C@H]3C[NH2+]CCN3)CC2)CC1 ZINC001246491586 1104563270 /nfs/dbraw/zinc/56/32/70/1104563270.db2.gz UFDJYOLCWUGHJZ-MQPDGSBLSA-N 2 1 321.553 3.303 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246494176 1104564352 /nfs/dbraw/zinc/56/43/52/1104564352.db2.gz CDUSHNVDUIXQOY-QGZVFWFLSA-N 3 1 307.526 3.140 20 0 DGADMP C[C@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246508672 1104569954 /nfs/dbraw/zinc/56/99/54/1104569954.db2.gz WPNDUVVGSCMPMF-IOMROCGXSA-N 2 1 323.484 3.329 20 0 DGADMP c1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n(C2CC2)c1 ZINC001330536846 1104572134 /nfs/dbraw/zinc/57/21/34/1104572134.db2.gz PSLRFEXZYKZRNS-KDURUIRLSA-N 2 1 321.468 3.387 20 0 DGADMP c1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n(C2CC2)c1 ZINC001330536846 1104572145 /nfs/dbraw/zinc/57/21/45/1104572145.db2.gz PSLRFEXZYKZRNS-KDURUIRLSA-N 2 1 321.468 3.387 20 0 DGADMP c1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n(C2CC2)c1 ZINC001330536846 1104572156 /nfs/dbraw/zinc/57/21/56/1104572156.db2.gz PSLRFEXZYKZRNS-KDURUIRLSA-N 2 1 321.468 3.387 20 0 DGADMP c1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n(C2CC2)c1 ZINC001330536846 1104572165 /nfs/dbraw/zinc/57/21/65/1104572165.db2.gz PSLRFEXZYKZRNS-KDURUIRLSA-N 2 1 321.468 3.387 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)cc1C ZINC001246520368 1104575401 /nfs/dbraw/zinc/57/54/01/1104575401.db2.gz IGHCJWWLIIXIKV-PMACEKPBSA-N 2 1 315.505 3.202 20 0 DGADMP c1ccc(C[C@H]2C[C@H]([N@H+]3CCc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246520589 1104575878 /nfs/dbraw/zinc/57/58/78/1104575878.db2.gz SVBGJLUMFCAJOH-LEWJYISDSA-N 2 1 306.453 3.408 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)c1 ZINC001246519515 1104576146 /nfs/dbraw/zinc/57/61/46/1104576146.db2.gz BFPIVXVNDNLPER-GOSISDBHSA-N 2 1 313.489 3.100 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CS2 ZINC001246523522 1104576956 /nfs/dbraw/zinc/57/69/56/1104576956.db2.gz NEZOWTXUKJQHLF-MRXNPFEDSA-N 2 1 302.487 3.169 20 0 DGADMP CC[C@@H]1C[C@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246527425 1104576985 /nfs/dbraw/zinc/57/69/85/1104576985.db2.gz NFOUYYJTGFGOJF-FUMNGEBKSA-N 2 1 315.505 3.284 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001246525382 1104578193 /nfs/dbraw/zinc/57/81/93/1104578193.db2.gz XBIRWNPNSWUIOZ-INIZCTEOSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246529415 1104579808 /nfs/dbraw/zinc/57/98/08/1104579808.db2.gz KWIOVCKEZNYWHC-RBUKOAKNSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1CC([NH+]2CCN(c3ccccc3C)CC2)C[C@@H](CC)[NH2+]1 ZINC001246536961 1104581424 /nfs/dbraw/zinc/58/14/24/1104581424.db2.gz HRYXYQGEIJAMJA-QZTJIDSGSA-N 2 1 315.505 3.426 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)c(F)cc3F)C[C@H]2CC1 ZINC001275031652 1104584082 /nfs/dbraw/zinc/58/40/82/1104584082.db2.gz VHQFRIPHCVINRS-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3F)C[C@H]2CC1 ZINC001275031652 1104584087 /nfs/dbraw/zinc/58/40/87/1104584087.db2.gz VHQFRIPHCVINRS-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)c(F)cc3F)C[C@H]2CC1 ZINC001275031652 1104584096 /nfs/dbraw/zinc/58/40/96/1104584096.db2.gz VHQFRIPHCVINRS-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539986 1104584458 /nfs/dbraw/zinc/58/44/58/1104584458.db2.gz JEPKNQQPVYVVBW-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001275040551 1104585457 /nfs/dbraw/zinc/58/54/57/1104585457.db2.gz NETZORFDIIQCOD-IBGZPJMESA-N 2 1 319.537 3.082 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246543598 1104586084 /nfs/dbraw/zinc/58/60/84/1104586084.db2.gz UVPJYKPKACDOFE-JSGCOSHPSA-N 2 1 316.367 3.329 20 0 DGADMP CC[C@H]1CC([NH+]2CCN(c3cccc(C)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246540824 1104586506 /nfs/dbraw/zinc/58/65/06/1104586506.db2.gz UAHKTRUXHUKSKE-ROUUACIJSA-N 2 1 315.505 3.426 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246546284 1104588954 /nfs/dbraw/zinc/58/89/54/1104588954.db2.gz JNEHLAMTBKIKBD-QAPCUYQASA-N 2 1 318.461 3.056 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246546284 1104588960 /nfs/dbraw/zinc/58/89/60/1104588960.db2.gz JNEHLAMTBKIKBD-QAPCUYQASA-N 2 1 318.461 3.056 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246555074 1104592563 /nfs/dbraw/zinc/59/25/63/1104592563.db2.gz BLNYHRLTZLKYPE-KBPBESRZSA-N 2 1 314.445 3.392 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246555074 1104592573 /nfs/dbraw/zinc/59/25/73/1104592573.db2.gz BLNYHRLTZLKYPE-KBPBESRZSA-N 2 1 314.445 3.392 20 0 DGADMP CC(C)C[N@@H+](Cc1ccccc1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246557262 1104592606 /nfs/dbraw/zinc/59/26/06/1104592606.db2.gz GYHXCSDCVQMIIQ-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CCC1(F)F ZINC001246554852 1104593673 /nfs/dbraw/zinc/59/36/73/1104593673.db2.gz DZSVMDTYGHBOCQ-HIFRSBDPSA-N 2 1 314.807 3.113 20 0 DGADMP C[C@H]1C[N@H+](C2CCN(c3cccc(F)c3)CC2)CCC[C@H]1C[NH3+] ZINC001246559523 1104594835 /nfs/dbraw/zinc/59/48/35/1104594835.db2.gz BBMHNDJYOHOLMK-HOTGVXAUSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246559940 1104594901 /nfs/dbraw/zinc/59/49/01/1104594901.db2.gz FWYKMNZQRXMFCW-TYNCELHUSA-N 2 1 311.267 3.049 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001246557670 1104595857 /nfs/dbraw/zinc/59/58/57/1104595857.db2.gz NDGBTTAFIVGHES-PIKOESSRSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001246563950 1104597072 /nfs/dbraw/zinc/59/70/72/1104597072.db2.gz DLVPCLCGBPJMCV-OWYHZJEWSA-N 2 1 302.462 3.214 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)CC[C@H]1F ZINC001246570302 1104600176 /nfs/dbraw/zinc/60/01/76/1104600176.db2.gz OZOGOWQBMCFXLI-XAWIXRBMSA-N 2 1 306.425 3.138 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)CC[C@H]1F ZINC001246570302 1104600179 /nfs/dbraw/zinc/60/01/79/1104600179.db2.gz OZOGOWQBMCFXLI-XAWIXRBMSA-N 2 1 306.425 3.138 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001246574882 1104602333 /nfs/dbraw/zinc/60/23/33/1104602333.db2.gz JNJYVGWBQXWOLJ-IBGZPJMESA-N 2 1 319.468 3.245 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578283 1104604676 /nfs/dbraw/zinc/60/46/76/1104604676.db2.gz AIPMGILHKJJLKN-DOTOQJQBSA-N 2 1 308.853 3.094 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578283 1104604681 /nfs/dbraw/zinc/60/46/81/1104604681.db2.gz AIPMGILHKJJLKN-DOTOQJQBSA-N 2 1 308.853 3.094 20 0 DGADMP CC1(C)COC2(CCC([N@H+]3CCC[C@@](C)(C[NH3+])CC3)CC2)OC1 ZINC001246578549 1104604925 /nfs/dbraw/zinc/60/49/25/1104604925.db2.gz RYPRYQNHNCOTNH-GOSISDBHSA-N 2 1 324.509 3.149 20 0 DGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(Cc3cc(C)nn3C)C2)C1 ZINC001275066500 1104605277 /nfs/dbraw/zinc/60/52/77/1104605277.db2.gz XCCWCIHCQSPFHM-VQIMIIECSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001246585088 1104606157 /nfs/dbraw/zinc/60/61/57/1104606157.db2.gz ODJGSCPPYDVATD-IBGZPJMESA-N 2 1 319.468 3.245 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](C2CCC(OCc3ccccc3)CC2)CC[C@H]1F ZINC001246590673 1104607713 /nfs/dbraw/zinc/60/77/13/1104607713.db2.gz UZJUUEVTOXZQHE-GMNCBBECSA-N 2 1 320.452 3.276 20 0 DGADMP [NH3+][C@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)CC[C@H]1F ZINC001246590673 1104607719 /nfs/dbraw/zinc/60/77/19/1104607719.db2.gz UZJUUEVTOXZQHE-GMNCBBECSA-N 2 1 320.452 3.276 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246592393 1104609382 /nfs/dbraw/zinc/60/93/82/1104609382.db2.gz AUMAZFMXLGYOGN-OALUTQOASA-N 3 1 321.553 3.399 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246592390 1104609390 /nfs/dbraw/zinc/60/93/90/1104609390.db2.gz AUMAZFMXLGYOGN-MOPGFXCFSA-N 3 1 321.553 3.399 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@H](CC)C[C@@H](C)CC)C[C@@H]1C[NH2+]CCC2 ZINC001246593496 1104609495 /nfs/dbraw/zinc/60/94/95/1104609495.db2.gz GUDDSIRXWSDFCP-BMFAXAFESA-N 2 1 324.509 3.066 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246591669 1104609699 /nfs/dbraw/zinc/60/96/99/1104609699.db2.gz NLHUZDGIKFZCBH-XGUBFFRZSA-N 2 1 322.415 3.075 20 0 DGADMP C[C@@H]1C[C@H](N2CCCC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593931 1104612625 /nfs/dbraw/zinc/61/26/25/1104612625.db2.gz PEFXWTQWYHAJHA-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593931 1104612631 /nfs/dbraw/zinc/61/26/31/1104612631.db2.gz PEFXWTQWYHAJHA-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593931 1104612636 /nfs/dbraw/zinc/61/26/36/1104612636.db2.gz PEFXWTQWYHAJHA-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001246597988 1104613892 /nfs/dbraw/zinc/61/38/92/1104613892.db2.gz ZGFIPULZYWXNPI-MAUKXSAKSA-N 2 1 308.416 3.273 20 0 DGADMP C1CC2(C[C@@H]1[N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246600107 1104616484 /nfs/dbraw/zinc/61/64/84/1104616484.db2.gz CUAZYEWFBUDMFY-UYAOXDASSA-N 3 1 319.537 3.155 20 0 DGADMP C1CC2(C[NH2+]1)CCC([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)CC2 ZINC001246604266 1104619607 /nfs/dbraw/zinc/61/96/07/1104619607.db2.gz KHRFYNNGBPYWJH-SOAGJPPSSA-N 3 1 319.537 3.155 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@]34CCC[NH2+]C4)CCO2)cc1 ZINC001246605086 1104622027 /nfs/dbraw/zinc/62/20/27/1104622027.db2.gz AEXDLBVSMZNZQV-GBESFXJTSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]CC3)CS2 ZINC001246606054 1104622811 /nfs/dbraw/zinc/62/28/11/1104622811.db2.gz LTQLXUARPANLQM-WMZOPIPTSA-N 2 1 302.487 3.312 20 0 DGADMP Clc1ccc2c(c1)C1(CN2)CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246608697 1104623894 /nfs/dbraw/zinc/62/38/94/1104623894.db2.gz YDNJHQOVQASUIS-HNNXBMFYSA-N 2 1 319.880 3.241 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246607694 1104623967 /nfs/dbraw/zinc/62/39/67/1104623967.db2.gz WNPAHQDKHXFKSY-UHFFFAOYSA-N 2 1 307.526 3.009 20 0 DGADMP C1C[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246609151 1104624297 /nfs/dbraw/zinc/62/42/97/1104624297.db2.gz XMPJODQESBCZMF-PKOBYXMFSA-N 3 1 305.510 3.049 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607796 1104624575 /nfs/dbraw/zinc/62/45/75/1104624575.db2.gz FUEGAGBOGBXDSW-APWZRJJASA-N 2 1 320.427 3.288 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607796 1104624579 /nfs/dbraw/zinc/62/45/79/1104624579.db2.gz FUEGAGBOGBXDSW-APWZRJJASA-N 2 1 320.427 3.288 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607804 1104625064 /nfs/dbraw/zinc/62/50/64/1104625064.db2.gz FUEGAGBOGBXDSW-VQIMIIECSA-N 2 1 320.427 3.288 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607804 1104625070 /nfs/dbraw/zinc/62/50/70/1104625070.db2.gz FUEGAGBOGBXDSW-VQIMIIECSA-N 2 1 320.427 3.288 20 0 DGADMP CCOC(=O)CC1CCC([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246612954 1104628796 /nfs/dbraw/zinc/62/87/96/1104628796.db2.gz JJLMKSUBEYADAI-FAFZWHIHSA-N 2 1 322.493 3.107 20 0 DGADMP CC[C@H]1CC([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246621024 1104631074 /nfs/dbraw/zinc/63/10/74/1104631074.db2.gz CLWLPGRHHMGJFO-FPXQBCRKSA-N 2 1 313.489 3.437 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246624453 1104632844 /nfs/dbraw/zinc/63/28/44/1104632844.db2.gz UYWGALNDFSCAOU-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246624453 1104632850 /nfs/dbraw/zinc/63/28/50/1104632850.db2.gz UYWGALNDFSCAOU-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246628457 1104634710 /nfs/dbraw/zinc/63/47/10/1104634710.db2.gz LRNYGYYALBHXIM-YJBOKZPZSA-N 2 1 304.865 3.273 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627399 1104634909 /nfs/dbraw/zinc/63/49/09/1104634909.db2.gz JLQBREVTEDNJEP-DYVFJYSZSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627399 1104634912 /nfs/dbraw/zinc/63/49/12/1104634912.db2.gz JLQBREVTEDNJEP-DYVFJYSZSA-N 2 1 310.844 3.486 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246631550 1104636053 /nfs/dbraw/zinc/63/60/53/1104636053.db2.gz QTLQCPGAFOOZPQ-VAMGGRTRSA-N 2 1 316.489 3.098 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CCC4(C[NH2+]C4)C3)ccc2c1 ZINC001246630655 1104637150 /nfs/dbraw/zinc/63/71/50/1104637150.db2.gz KGDMDXOINZFWAX-INIZCTEOSA-N 2 1 324.468 3.465 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246629785 1104637258 /nfs/dbraw/zinc/63/72/58/1104637258.db2.gz GPASUUQDAUVVKQ-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP CCC[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246633948 1104638064 /nfs/dbraw/zinc/63/80/64/1104638064.db2.gz GBEILISLVRXJNM-OAHLLOKOSA-N 2 1 302.462 3.321 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C[C@H]21 ZINC001246635116 1104638403 /nfs/dbraw/zinc/63/84/03/1104638403.db2.gz SBSUHOACGVFSLQ-DUPRYPCISA-N 2 1 311.473 3.050 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634554 1104638569 /nfs/dbraw/zinc/63/85/69/1104638569.db2.gz OLZMGANXCVLQAW-APWZRJJASA-N 2 1 320.427 3.430 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC001246634715 1104638966 /nfs/dbraw/zinc/63/89/66/1104638966.db2.gz HASKGMRMOQDPLV-WBVHZDCISA-N 2 1 314.473 3.321 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246637779 1104640415 /nfs/dbraw/zinc/64/04/15/1104640415.db2.gz KCBZSHSRGLYPCM-IRXDYDNUSA-N 2 1 308.416 3.328 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246643411 1104641646 /nfs/dbraw/zinc/64/16/46/1104641646.db2.gz GWZSASGGRXAUPJ-ZHALLVOQSA-N 3 1 307.526 3.150 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCCC13CC[NH2+]CC3)CC2 ZINC001246642115 1104642165 /nfs/dbraw/zinc/64/21/65/1104642165.db2.gz BIBJGMOSYLIEQY-OAHLLOKOSA-N 2 1 304.865 3.415 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC001275136951 1104645700 /nfs/dbraw/zinc/64/57/00/1104645700.db2.gz GXTQNXBCRQJYHH-KRWDZBQOSA-N 2 1 305.491 3.149 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC001275136951 1104645703 /nfs/dbraw/zinc/64/57/03/1104645703.db2.gz GXTQNXBCRQJYHH-KRWDZBQOSA-N 2 1 305.491 3.149 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001275136951 1104645708 /nfs/dbraw/zinc/64/57/08/1104645708.db2.gz GXTQNXBCRQJYHH-KRWDZBQOSA-N 2 1 305.491 3.149 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001275136951 1104645711 /nfs/dbraw/zinc/64/57/11/1104645711.db2.gz GXTQNXBCRQJYHH-KRWDZBQOSA-N 2 1 305.491 3.149 20 0 DGADMP CCCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC1 ZINC001246653187 1104648645 /nfs/dbraw/zinc/64/86/45/1104648645.db2.gz CYOXIKJGKCQNQU-SHWKFHJASA-N 2 1 304.400 3.429 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656360 1104651098 /nfs/dbraw/zinc/65/10/98/1104651098.db2.gz DLJOLDDKGJGWIK-IZXSPOQTSA-N 2 1 314.807 3.361 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656360 1104651100 /nfs/dbraw/zinc/65/11/00/1104651100.db2.gz DLJOLDDKGJGWIK-IZXSPOQTSA-N 2 1 314.807 3.361 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246672688 1104655572 /nfs/dbraw/zinc/65/55/72/1104655572.db2.gz KOHRHDZZTFSQAI-FMKPAKJESA-N 2 1 308.491 3.364 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CC2 ZINC001246676548 1104657388 /nfs/dbraw/zinc/65/73/88/1104657388.db2.gz CCEABZCURNXZKT-RCCFBDPRSA-N 2 1 316.464 3.395 20 0 DGADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](C2Cc4ccccc4C2)C3)cc1 ZINC001246677362 1104658811 /nfs/dbraw/zinc/65/88/11/1104658811.db2.gz DGHWJKJPBPTKAI-FGZHOGPDSA-N 2 1 318.464 3.233 20 0 DGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246680878 1104659609 /nfs/dbraw/zinc/65/96/09/1104659609.db2.gz MNCRGOTVSOBLOF-SKINQDTJSA-N 2 1 314.473 3.433 20 0 DGADMP CCSC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246684632 1104660642 /nfs/dbraw/zinc/66/06/42/1104660642.db2.gz MOLGVJBGNLYREQ-WDSOQIARSA-N 2 1 318.530 3.381 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001246691560 1104661485 /nfs/dbraw/zinc/66/14/85/1104661485.db2.gz LHBPCLZJAQZZQT-UXHICEINSA-N 2 1 324.468 3.490 20 0 DGADMP Clc1cccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)c1 ZINC001246689800 1104661587 /nfs/dbraw/zinc/66/15/87/1104661587.db2.gz URKYUNNNNFUOAT-KRWDZBQOSA-N 2 1 319.880 3.137 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246685368 1104661932 /nfs/dbraw/zinc/66/19/32/1104661932.db2.gz HSFCVUFJBNOLKK-ROUUACIJSA-N 2 1 321.896 3.239 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001246691669 1104662254 /nfs/dbraw/zinc/66/22/54/1104662254.db2.gz LYGASNXTYVNRGS-RCCFBDPRSA-N 2 1 322.855 3.221 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246699989 1104664328 /nfs/dbraw/zinc/66/43/28/1104664328.db2.gz FQIHFOPAQQEKIC-XLIONFOSSA-N 2 1 320.521 3.437 20 0 DGADMP COc1ccccc1C[N@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246768525 1104667223 /nfs/dbraw/zinc/66/72/23/1104667223.db2.gz FKVQFZVOZHADIZ-PMACEKPBSA-N 2 1 324.468 3.490 20 0 DGADMP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246768525 1104667227 /nfs/dbraw/zinc/66/72/27/1104667227.db2.gz FKVQFZVOZHADIZ-PMACEKPBSA-N 2 1 324.468 3.490 20 0 DGADMP COc1cccc(C[N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246770716 1104667673 /nfs/dbraw/zinc/66/76/73/1104667673.db2.gz RPAHPKMXAGAKKP-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779956 1104670018 /nfs/dbraw/zinc/67/00/18/1104670018.db2.gz RLLCRAVBQQQJTJ-SJORKVTESA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779956 1104670023 /nfs/dbraw/zinc/67/00/23/1104670023.db2.gz RLLCRAVBQQQJTJ-SJORKVTESA-N 2 1 320.477 3.446 20 0 DGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780587 1104670804 /nfs/dbraw/zinc/67/08/04/1104670804.db2.gz SZANBVWJFBGOQK-MAUKXSAKSA-N 2 1 320.477 3.302 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780587 1104670808 /nfs/dbraw/zinc/67/08/08/1104670808.db2.gz SZANBVWJFBGOQK-MAUKXSAKSA-N 2 1 320.477 3.302 20 0 DGADMP COC(=O)CC[N@@H+](C1CCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246783946 1104671818 /nfs/dbraw/zinc/67/18/18/1104671818.db2.gz RXGRGIDWKGWTKU-UHFFFAOYSA-N 2 1 322.493 3.107 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246782492 1104672084 /nfs/dbraw/zinc/67/20/84/1104672084.db2.gz QGZFHAUPOHNDIG-GPMSIDNRSA-N 2 1 318.461 3.069 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246783524 1104672499 /nfs/dbraw/zinc/67/24/99/1104672499.db2.gz ZYEZVFOMJQNGKW-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP c1ccc2c(c1)C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)CCO2 ZINC001246785274 1104673456 /nfs/dbraw/zinc/67/34/56/1104673456.db2.gz KKOGRQBKWLHZSL-UHFFFAOYSA-N 2 1 300.446 3.193 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246784664 1104673654 /nfs/dbraw/zinc/67/36/54/1104673654.db2.gz HNYVUJKBGZYDBG-QXAKKESOSA-N 2 1 300.446 3.062 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784329 1104673995 /nfs/dbraw/zinc/67/39/95/1104673995.db2.gz WXAFHIKCSAJCOL-INMHGKMJSA-N 2 1 324.415 3.195 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784329 1104673997 /nfs/dbraw/zinc/67/39/97/1104673997.db2.gz WXAFHIKCSAJCOL-INMHGKMJSA-N 2 1 324.415 3.195 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246787564 1104674954 /nfs/dbraw/zinc/67/49/54/1104674954.db2.gz RKYYLLGDBRGIAE-NUJGCVRESA-N 2 1 302.462 3.367 20 0 DGADMP c1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CCO2 ZINC001246789341 1104676791 /nfs/dbraw/zinc/67/67/91/1104676791.db2.gz XROBLRBGFONFAI-KRWDZBQOSA-N 2 1 300.446 3.336 20 0 DGADMP c1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CCO2 ZINC001246789341 1104676795 /nfs/dbraw/zinc/67/67/95/1104676795.db2.gz XROBLRBGFONFAI-KRWDZBQOSA-N 2 1 300.446 3.336 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246795817 1104679249 /nfs/dbraw/zinc/67/92/49/1104679249.db2.gz KGBCEAKXGPLSIS-JQHSSLGASA-N 2 1 317.477 3.092 20 0 DGADMP c1cc2c(s1)C[N@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246793713 1104679816 /nfs/dbraw/zinc/67/98/16/1104679816.db2.gz CYQLBRWSBDEUEG-ZWKOTPCHSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246793713 1104679821 /nfs/dbraw/zinc/67/98/21/1104679821.db2.gz CYQLBRWSBDEUEG-ZWKOTPCHSA-N 2 1 312.482 3.470 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246797968 1104680670 /nfs/dbraw/zinc/68/06/70/1104680670.db2.gz QBRHRMHHVNIOHJ-MRXNPFEDSA-N 2 1 308.416 3.144 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246799860 1104680736 /nfs/dbraw/zinc/68/07/36/1104680736.db2.gz PBPBIICJFKUSSM-LMMKCTJWSA-N 2 1 317.477 3.236 20 0 DGADMP c1ccc([C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)CCO2)cc1 ZINC001246798703 1104680777 /nfs/dbraw/zinc/68/07/77/1104680777.db2.gz QRHOISZXIQGRLR-IBGZPJMESA-N 2 1 314.473 3.372 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246796673 1104680982 /nfs/dbraw/zinc/68/09/82/1104680982.db2.gz JXUAXEPDAVBOLL-TXPKVOOTSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001246796934 1104681359 /nfs/dbraw/zinc/68/13/59/1104681359.db2.gz OMRCLDCDVFUPPP-INIZCTEOSA-N 2 1 304.478 3.338 20 0 DGADMP CC[C@@H]1C[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246803187 1104682160 /nfs/dbraw/zinc/68/21/60/1104682160.db2.gz MMWHNSDTGJGWPX-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H]1CC([N@@H+](C)CCc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246815605 1104688913 /nfs/dbraw/zinc/68/89/13/1104688913.db2.gz ZDNRTKMMMZQKJY-IRXDYDNUSA-N 2 1 304.478 3.479 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246815098 1104689024 /nfs/dbraw/zinc/68/90/24/1104689024.db2.gz WADYXUUBZNBUGQ-BXUZGUMPSA-N 2 1 313.272 3.392 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246815076 1104689050 /nfs/dbraw/zinc/68/90/50/1104689050.db2.gz VKCPKMKNBDGVHF-PIIMJCKOSA-N 2 1 304.478 3.479 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820581 1104691485 /nfs/dbraw/zinc/69/14/85/1104691485.db2.gz HWYMOYHHHATFRQ-NOLJZWGESA-N 2 1 323.278 3.379 20 0 DGADMP COc1cccc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1OC ZINC001275255227 1104692332 /nfs/dbraw/zinc/69/23/32/1104692332.db2.gz GOMCWTPHLKULFX-IBGZPJMESA-N 2 1 318.461 3.012 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c1C ZINC001246832418 1104696029 /nfs/dbraw/zinc/69/60/29/1104696029.db2.gz GQBSYLVLNXBORI-OALUTQOASA-N 2 1 315.505 3.202 20 0 DGADMP COCCC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246835272 1104697793 /nfs/dbraw/zinc/69/77/93/1104697793.db2.gz IIYDZQYTPBZWBE-OAHLLOKOSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839273 1104700295 /nfs/dbraw/zinc/70/02/95/1104700295.db2.gz CPYUKZLKZNOCLT-NFFDBFGFSA-N 2 1 310.894 3.490 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246840436 1104701888 /nfs/dbraw/zinc/70/18/88/1104701888.db2.gz OLYIZHRYEHISFS-DFGXFYAUSA-N 2 1 320.477 3.061 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246841855 1104701985 /nfs/dbraw/zinc/70/19/85/1104701985.db2.gz PCGZIXAPGZWQQO-ZWKOTPCHSA-N 2 1 302.462 3.198 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001246840520 1104702015 /nfs/dbraw/zinc/70/20/15/1104702015.db2.gz HGPPDRYLUXTPGX-HZNCNYQSSA-N 2 1 300.446 3.046 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246841318 1104702112 /nfs/dbraw/zinc/70/21/12/1104702112.db2.gz AQWKLEAYXQEFJL-SQNIBIBYSA-N 2 1 302.462 3.225 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@H]1CC[NH3+])CC2 ZINC001246844293 1104704078 /nfs/dbraw/zinc/70/40/78/1104704078.db2.gz IKYVQIZTUHUWLZ-STQMWFEESA-N 2 1 308.853 3.019 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246847896 1104704955 /nfs/dbraw/zinc/70/49/55/1104704955.db2.gz YVQNCHINLVUSFF-CMKODMSKSA-N 2 1 314.473 3.370 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246845744 1104705531 /nfs/dbraw/zinc/70/55/31/1104705531.db2.gz NPKRBVZPJFSYOQ-JLAWEPINSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848568 1104707842 /nfs/dbraw/zinc/70/78/42/1104707842.db2.gz CIUPVZFUZHQDQY-JLJPHGGASA-N 2 1 308.853 3.324 20 0 DGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856168 1104708780 /nfs/dbraw/zinc/70/87/80/1104708780.db2.gz SEPHQPCKKWTTTK-IMBTUZDBSA-N 2 1 324.509 3.066 20 0 DGADMP c1ccc2c(c1)CC([N@H+]1Cc3ccccc3C3(CC[NH2+]CC3)C1)C2 ZINC001246861283 1104710355 /nfs/dbraw/zinc/71/03/55/1104710355.db2.gz OMUUYEKBPHALER-UHFFFAOYSA-N 2 1 318.464 3.291 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001246864209 1104711231 /nfs/dbraw/zinc/71/12/31/1104711231.db2.gz RAZAIZBUBDGIFM-NZSAHSFTSA-N 2 1 315.505 3.099 20 0 DGADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856846 1104711504 /nfs/dbraw/zinc/71/15/04/1104711504.db2.gz WDLOHNMTHRQLMR-ZIFCJYIRSA-N 2 1 324.509 3.210 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2OC)C[C@H](CC)[NH2+]1 ZINC001246867387 1104712954 /nfs/dbraw/zinc/71/29/54/1104712954.db2.gz HRYGMPCSOJLUPT-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2OC)C[C@H](CC)[NH2+]1 ZINC001246867387 1104712961 /nfs/dbraw/zinc/71/29/61/1104712961.db2.gz HRYGMPCSOJLUPT-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP CCCCCC1CCC([N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CC1 ZINC001246873512 1104716018 /nfs/dbraw/zinc/71/60/18/1104716018.db2.gz SKEHNAZGHRCHCT-KVZIAJEVSA-N 2 1 307.526 3.233 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246872415 1104716162 /nfs/dbraw/zinc/71/61/62/1104716162.db2.gz VBGYLGHTPFRYNX-GOSISDBHSA-N 2 1 302.462 3.092 20 0 DGADMP CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246879684 1104717619 /nfs/dbraw/zinc/71/76/19/1104717619.db2.gz CEGPTMAHZRLGRU-BRWVUGGUSA-N 2 1 317.477 3.175 20 0 DGADMP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246879684 1104717624 /nfs/dbraw/zinc/71/76/24/1104717624.db2.gz CEGPTMAHZRLGRU-BRWVUGGUSA-N 2 1 317.477 3.175 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246879179 1104717874 /nfs/dbraw/zinc/71/78/74/1104717874.db2.gz MUYBLVOCLZPICS-CAMMJAKZSA-N 2 1 318.436 3.181 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246879179 1104717878 /nfs/dbraw/zinc/71/78/78/1104717878.db2.gz MUYBLVOCLZPICS-CAMMJAKZSA-N 2 1 318.436 3.181 20 0 DGADMP CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246879686 1104717889 /nfs/dbraw/zinc/71/78/89/1104717889.db2.gz CEGPTMAHZRLGRU-GVDBMIGSSA-N 2 1 317.477 3.175 20 0 DGADMP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246879686 1104717896 /nfs/dbraw/zinc/71/78/96/1104717896.db2.gz CEGPTMAHZRLGRU-GVDBMIGSSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC001246881281 1104720143 /nfs/dbraw/zinc/72/01/43/1104720143.db2.gz ZGBKCXUGWGSWCQ-FQEVSTJZSA-N 2 1 312.457 3.336 20 0 DGADMP CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC001246881282 1104720289 /nfs/dbraw/zinc/72/02/89/1104720289.db2.gz ZGBKCXUGWGSWCQ-HXUWFJFHSA-N 2 1 312.457 3.336 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc(C)c1O ZINC001275318836 1104721117 /nfs/dbraw/zinc/72/11/17/1104721117.db2.gz MZDXQUCLILYITL-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc(C)c1O ZINC001275318836 1104721120 /nfs/dbraw/zinc/72/11/20/1104721120.db2.gz MZDXQUCLILYITL-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc(C)c1O ZINC001275318836 1104721122 /nfs/dbraw/zinc/72/11/22/1104721122.db2.gz MZDXQUCLILYITL-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc(C)c1O ZINC001275318836 1104721126 /nfs/dbraw/zinc/72/11/26/1104721126.db2.gz MZDXQUCLILYITL-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246885377 1104723199 /nfs/dbraw/zinc/72/31/99/1104723199.db2.gz FFGGZNUNBRPFII-CGTJXYLNSA-N 2 1 304.478 3.335 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001246901132 1104729118 /nfs/dbraw/zinc/72/91/18/1104729118.db2.gz YVOWNCNCDULRKG-GOSISDBHSA-N 2 1 323.484 3.474 20 0 DGADMP FC(F)(F)Oc1ccc2c(c1)C[N@H+]([C@@H]1CCC[NH2+]CC1)CC2 ZINC001246909872 1104732789 /nfs/dbraw/zinc/73/27/89/1104732789.db2.gz RCDDGUNXACQZQV-CQSZACIVSA-N 2 1 314.351 3.085 20 0 DGADMP FC(F)(F)Oc1ccc2c(c1)C[N@@H+]([C@@H]1CCC[NH2+]CC1)CC2 ZINC001246909872 1104732795 /nfs/dbraw/zinc/73/27/95/1104732795.db2.gz RCDDGUNXACQZQV-CQSZACIVSA-N 2 1 314.351 3.085 20 0 DGADMP CC(C)OCC[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918310 1104736597 /nfs/dbraw/zinc/73/65/97/1104736597.db2.gz DVAROLYVANUITG-MJGOQNOKSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918310 1104736601 /nfs/dbraw/zinc/73/66/01/1104736601.db2.gz DVAROLYVANUITG-MJGOQNOKSA-N 2 1 304.478 3.444 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246918270 1104737310 /nfs/dbraw/zinc/73/73/10/1104737310.db2.gz DFRUABHPHFUHND-MOPGFXCFSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918466 1104737437 /nfs/dbraw/zinc/73/74/37/1104737437.db2.gz FEDGJRKVKIWYJL-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918466 1104737442 /nfs/dbraw/zinc/73/74/42/1104737442.db2.gz FEDGJRKVKIWYJL-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918471 1104737659 /nfs/dbraw/zinc/73/76/59/1104737659.db2.gz FEDGJRKVKIWYJL-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918471 1104737664 /nfs/dbraw/zinc/73/76/64/1104737664.db2.gz FEDGJRKVKIWYJL-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1CC[C@@H]([N@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927350 1104740792 /nfs/dbraw/zinc/74/07/92/1104740792.db2.gz ZEPQHZSYDQNCKW-IEBWSBKVSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927350 1104740798 /nfs/dbraw/zinc/74/07/98/1104740798.db2.gz ZEPQHZSYDQNCKW-IEBWSBKVSA-N 2 1 304.478 3.182 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)c1 ZINC001246928526 1104741141 /nfs/dbraw/zinc/74/11/41/1104741141.db2.gz LAHSTDIGRNVUDN-QGZVFWFLSA-N 2 1 314.473 3.407 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246930590 1104741404 /nfs/dbraw/zinc/74/14/04/1104741404.db2.gz UZHDTIZVPYRAQH-KURKYZTESA-N 2 1 302.462 3.405 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934203 1104742654 /nfs/dbraw/zinc/74/26/54/1104742654.db2.gz AEHKHKDXCZXGEN-SFHVURJKSA-N 3 1 321.553 3.351 20 0 DGADMP CC(C)C[NH+]1CCC(N(C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934203 1104742657 /nfs/dbraw/zinc/74/26/57/1104742657.db2.gz AEHKHKDXCZXGEN-SFHVURJKSA-N 2 1 321.553 3.351 20 0 DGADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933774 1104743567 /nfs/dbraw/zinc/74/35/67/1104743567.db2.gz KRODNIBCQPILFX-PKOBYXMFSA-N 3 1 319.537 3.153 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938326 1104744006 /nfs/dbraw/zinc/74/40/06/1104744006.db2.gz PCOOEAPMOBNZPX-DLBZAZTESA-N 2 1 324.509 3.351 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([N@@H+]3C[C@@H]([NH3+])C[C@@H]3CO)CC2)CC1 ZINC001246937207 1104744335 /nfs/dbraw/zinc/74/43/35/1104744335.db2.gz HRQVDZNQPDLOFZ-HIQGEDKISA-N 2 1 308.510 3.156 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([N@H+]3C[C@@H]([NH3+])C[C@@H]3CO)CC2)CC1 ZINC001246937207 1104744338 /nfs/dbraw/zinc/74/43/38/1104744338.db2.gz HRQVDZNQPDLOFZ-HIQGEDKISA-N 2 1 308.510 3.156 20 0 DGADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943055 1104745714 /nfs/dbraw/zinc/74/57/14/1104745714.db2.gz OXTYBDFTHJQLFB-OALUTQOASA-N 2 1 320.452 3.337 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948044 1104748602 /nfs/dbraw/zinc/74/86/02/1104748602.db2.gz AADNYIHFJSWEPR-SJLPKXTDSA-N 3 1 309.542 3.397 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948044 1104748605 /nfs/dbraw/zinc/74/86/05/1104748605.db2.gz AADNYIHFJSWEPR-SJLPKXTDSA-N 3 1 309.542 3.397 20 0 DGADMP CCSC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246951070 1104749365 /nfs/dbraw/zinc/74/93/65/1104749365.db2.gz HWTQFIBUUJFVJJ-HNNXBMFYSA-N 2 1 322.518 3.391 20 0 DGADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246950264 1104749601 /nfs/dbraw/zinc/74/96/01/1104749601.db2.gz WOHWMUKEMFIYAS-BCUIYNNISA-N 2 1 311.256 3.000 20 0 DGADMP CCOCC[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246949778 1104749846 /nfs/dbraw/zinc/74/98/46/1104749846.db2.gz LLBQEHYTTHPGGG-UYAOXDASSA-N 2 1 316.489 3.413 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c1 ZINC001246951551 1104750067 /nfs/dbraw/zinc/75/00/67/1104750067.db2.gz LLKQVLOFEBUAAX-MNZLEMJZSA-N 2 1 302.437 3.487 20 0 DGADMP COc1ccc(C[N@@H+]([C@H]2CC[C@@H](C)C2)C2CC[NH2+]CC2)cc1 ZINC001246953408 1104751044 /nfs/dbraw/zinc/75/10/44/1104751044.db2.gz NOKNRWBAKJQBAO-QAPCUYQASA-N 2 1 302.462 3.438 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246964407 1104754129 /nfs/dbraw/zinc/75/41/29/1104754129.db2.gz KQDNIVSGBWLUBU-QWHZDKJVSA-N 2 1 302.437 3.487 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246963812 1104754177 /nfs/dbraw/zinc/75/41/77/1104754177.db2.gz ZODPEZTVZJDCGB-MNZLEMJZSA-N 2 1 302.437 3.487 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246966123 1104754383 /nfs/dbraw/zinc/75/43/83/1104754383.db2.gz TTYUQQQKUOZCED-UAFMIMERSA-N 3 1 319.537 3.281 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246970176 1104754886 /nfs/dbraw/zinc/75/48/86/1104754886.db2.gz SRCWLTMZZGFVHI-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP COc1cccc([C@H]2CSCC[N@@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970416 1104754935 /nfs/dbraw/zinc/75/49/35/1104754935.db2.gz ZBJKTQOOWMYVDS-NVXWUHKLSA-N 2 1 320.502 3.316 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970416 1104754939 /nfs/dbraw/zinc/75/49/39/1104754939.db2.gz ZBJKTQOOWMYVDS-NVXWUHKLSA-N 2 1 320.502 3.316 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970417 1104755304 /nfs/dbraw/zinc/75/53/04/1104755304.db2.gz ZBJKTQOOWMYVDS-RDJZCZTQSA-N 2 1 320.502 3.316 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970417 1104755307 /nfs/dbraw/zinc/75/53/07/1104755307.db2.gz ZBJKTQOOWMYVDS-RDJZCZTQSA-N 2 1 320.502 3.316 20 0 DGADMP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCCNC2)c1 ZINC001246974066 1104756089 /nfs/dbraw/zinc/75/60/89/1104756089.db2.gz QCXLKPKOFUBLMI-UFYCRDLUSA-N 2 1 315.505 3.209 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCCNC2)c1 ZINC001246974066 1104756094 /nfs/dbraw/zinc/75/60/94/1104756094.db2.gz QCXLKPKOFUBLMI-UFYCRDLUSA-N 2 1 315.505 3.209 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246972059 1104756380 /nfs/dbraw/zinc/75/63/80/1104756380.db2.gz BQQPKSGBHRUIAF-KRWDZBQOSA-N 2 1 302.437 3.290 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3cccc(C)n3)C2)C[C@H](CC)[NH2+]1 ZINC001246972451 1104756645 /nfs/dbraw/zinc/75/66/45/1104756645.db2.gz IFTJGIYTXPNYQU-MLHJIOFPSA-N 2 1 317.477 3.152 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246975789 1104758736 /nfs/dbraw/zinc/75/87/36/1104758736.db2.gz OXLRMYBGMVNOJF-KOZAUXTDSA-N 2 1 310.894 3.490 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246974750 1104759069 /nfs/dbraw/zinc/75/90/69/1104759069.db2.gz RSCKUPOKMDCLJE-LEAZDLGRSA-N 3 1 315.505 3.207 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC2(CC[NH2+]C2)CC1 ZINC001246979935 1104760704 /nfs/dbraw/zinc/76/07/04/1104760704.db2.gz PDLMEVFEJIERPF-UHFFFAOYSA-N 2 1 316.445 3.160 20 0 DGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246980234 1104761133 /nfs/dbraw/zinc/76/11/33/1104761133.db2.gz QRHGMSAXLRRUBO-ZWKOTPCHSA-N 2 1 316.514 3.179 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246979210 1104761311 /nfs/dbraw/zinc/76/13/11/1104761311.db2.gz XIEKZPVOHJGAHE-QGZVFWFLSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246980656 1104761368 /nfs/dbraw/zinc/76/13/68/1104761368.db2.gz RFRUAYJGGSFKCM-SJLPKXTDSA-N 2 1 318.436 3.201 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)C2)n1 ZINC001246988298 1104765110 /nfs/dbraw/zinc/76/51/10/1104765110.db2.gz GAXLAAMSHAGTNF-KURKYZTESA-N 2 1 317.477 3.010 20 0 DGADMP Fc1cc2c(cc1F)C[N@H+](C1CCC3(CC[NH2+]C3)CC1)CC2 ZINC001246994868 1104767597 /nfs/dbraw/zinc/76/75/97/1104767597.db2.gz DLRZMUWTKDCFQM-UHFFFAOYSA-N 2 1 306.400 3.245 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC1 ZINC001246998506 1104769967 /nfs/dbraw/zinc/76/99/67/1104769967.db2.gz CFSIATKWDILASK-WOVHFWOGSA-N 2 1 319.880 3.454 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC001247000886 1104771272 /nfs/dbraw/zinc/77/12/72/1104771272.db2.gz OLKPHBUJNAVNHB-HNNXBMFYSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001247000967 1104771793 /nfs/dbraw/zinc/77/17/93/1104771793.db2.gz OSDFBVZZYIMHJV-UFYCRDLUSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001247000967 1104771795 /nfs/dbraw/zinc/77/17/95/1104771795.db2.gz OSDFBVZZYIMHJV-UFYCRDLUSA-N 2 1 322.452 3.415 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247005654 1104774367 /nfs/dbraw/zinc/77/43/67/1104774367.db2.gz RBHVNVJQLUUQBX-KRWDZBQOSA-N 2 1 321.468 3.150 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008960 1104775327 /nfs/dbraw/zinc/77/53/27/1104775327.db2.gz ZTZWSRSZHAOHQC-OOVXDXFJSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008960 1104775334 /nfs/dbraw/zinc/77/53/34/1104775334.db2.gz ZTZWSRSZHAOHQC-OOVXDXFJSA-N 2 1 317.864 3.206 20 0 DGADMP C[NH2+]C1CCC([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001247010972 1104777352 /nfs/dbraw/zinc/77/73/52/1104777352.db2.gz XEKJNOSYIMKQHB-CKUJCDMFSA-N 2 1 319.880 3.134 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247015810 1104779834 /nfs/dbraw/zinc/77/98/34/1104779834.db2.gz QEWSGRWHFLUMGY-IIDMSEBBSA-N 2 1 304.865 3.271 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247016861 1104780225 /nfs/dbraw/zinc/78/02/25/1104780225.db2.gz YKAQGTQKUNSICO-IEZWGBDMSA-N 2 1 302.462 3.090 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1C ZINC001275633867 1104841595 /nfs/dbraw/zinc/84/15/95/1104841595.db2.gz CBFYTRYJHQVSCK-HDICACEKSA-N 2 1 316.489 3.394 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C)c1C ZINC001275633867 1104841602 /nfs/dbraw/zinc/84/16/02/1104841602.db2.gz CBFYTRYJHQVSCK-HDICACEKSA-N 2 1 316.489 3.394 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(C)c1C ZINC001275633867 1104841611 /nfs/dbraw/zinc/84/16/11/1104841611.db2.gz CBFYTRYJHQVSCK-HDICACEKSA-N 2 1 316.489 3.394 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccccc3-n3cc[nH+]c3C)(C1)CCC2 ZINC001275894279 1104946362 /nfs/dbraw/zinc/94/63/62/1104946362.db2.gz FTVRWURXOMOQOV-VQTJNVASSA-N 3 1 324.472 3.335 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CC1 ZINC001275906553 1104951576 /nfs/dbraw/zinc/95/15/76/1104951576.db2.gz GSNCQXXQBNOBHB-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CC1 ZINC001275906553 1104951578 /nfs/dbraw/zinc/95/15/78/1104951578.db2.gz GSNCQXXQBNOBHB-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CC1 ZINC001275906553 1104951581 /nfs/dbraw/zinc/95/15/81/1104951581.db2.gz GSNCQXXQBNOBHB-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP CCCCc1ccc(-c2noc([C@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247698774 1104959085 /nfs/dbraw/zinc/95/90/85/1104959085.db2.gz NELJNINWXIGIDP-OAHLLOKOSA-N 2 1 302.422 3.208 20 0 DGADMP COc1c(F)ccc(F)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276000043 1104984153 /nfs/dbraw/zinc/98/41/53/1104984153.db2.gz SOFZMOXIKJCTRJ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276027069 1104991055 /nfs/dbraw/zinc/99/10/55/1104991055.db2.gz SWKSIGJOKPLMPK-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276027069 1104991060 /nfs/dbraw/zinc/99/10/60/1104991060.db2.gz SWKSIGJOKPLMPK-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276027069 1104991065 /nfs/dbraw/zinc/99/10/65/1104991065.db2.gz SWKSIGJOKPLMPK-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1C[C@H]1C)CC2 ZINC001276032847 1104991911 /nfs/dbraw/zinc/99/19/11/1104991911.db2.gz PSOZWSJVDDABGK-GDBMZVCRSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3C)C[C@H]2CC1 ZINC001276032914 1104992057 /nfs/dbraw/zinc/99/20/57/1104992057.db2.gz QOHCWVWGISUVPI-SIXLDLHFSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@H]2CC1 ZINC001276032914 1104992062 /nfs/dbraw/zinc/99/20/62/1104992062.db2.gz QOHCWVWGISUVPI-SIXLDLHFSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@H]2CC1 ZINC001276032914 1104992067 /nfs/dbraw/zinc/99/20/67/1104992067.db2.gz QOHCWVWGISUVPI-SIXLDLHFSA-N 2 1 319.518 3.251 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cncs1)Cc1ccccc12 ZINC001276059602 1105006862 /nfs/dbraw/zinc/00/68/62/1105006862.db2.gz JIECRVHJQIUTIF-UHFFFAOYSA-N 2 1 313.470 3.122 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cncs1)Cc1ccccc12 ZINC001276059602 1105006868 /nfs/dbraw/zinc/00/68/68/1105006868.db2.gz JIECRVHJQIUTIF-UHFFFAOYSA-N 2 1 313.470 3.122 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)c1 ZINC001276093059 1105015931 /nfs/dbraw/zinc/01/59/31/1105015931.db2.gz WIZASSYYSAQEHD-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(C)c1 ZINC001276093059 1105015938 /nfs/dbraw/zinc/01/59/38/1105015938.db2.gz WIZASSYYSAQEHD-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(C)c1 ZINC001276093059 1105015944 /nfs/dbraw/zinc/01/59/44/1105015944.db2.gz WIZASSYYSAQEHD-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)oc1C ZINC001276175223 1105036688 /nfs/dbraw/zinc/03/66/88/1105036688.db2.gz HMNHVQHHXPQBEA-UHFFFAOYSA-N 2 1 313.445 3.323 20 0 DGADMP Cn1ccnc1C[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001276229296 1105054199 /nfs/dbraw/zinc/05/41/99/1105054199.db2.gz MOQWABRBPUMMLY-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP Cn1ccnc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276229296 1105054206 /nfs/dbraw/zinc/05/42/06/1105054206.db2.gz MOQWABRBPUMMLY-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)ccc1Cl ZINC001248194937 1105065587 /nfs/dbraw/zinc/06/55/87/1105065587.db2.gz PTYUJXOKPCZRQN-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1C ZINC001248194295 1105066298 /nfs/dbraw/zinc/06/62/98/1105066298.db2.gz HXUAVUGATMAWQC-HNNXBMFYSA-N 2 1 302.422 3.085 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276294000 1105081057 /nfs/dbraw/zinc/08/10/57/1105081057.db2.gz ITSWSOBAPVORKF-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000469884390 1105295810 /nfs/dbraw/zinc/29/58/10/1105295810.db2.gz NGHCSFVNUVUXAJ-YTQUADARSA-N 2 1 302.462 3.425 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005713 1105308109 /nfs/dbraw/zinc/30/81/09/1105308109.db2.gz KVBYCBUTDWELAS-BMFZPTHFSA-N 2 1 312.379 3.249 20 0 DGADMP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005713 1105308115 /nfs/dbraw/zinc/30/81/15/1105308115.db2.gz KVBYCBUTDWELAS-BMFZPTHFSA-N 2 1 312.379 3.249 20 0 DGADMP C[C@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005713 1105308122 /nfs/dbraw/zinc/30/81/22/1105308122.db2.gz KVBYCBUTDWELAS-BMFZPTHFSA-N 2 1 312.379 3.249 20 0 DGADMP C[C@H](C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005713 1105308127 /nfs/dbraw/zinc/30/81/27/1105308127.db2.gz KVBYCBUTDWELAS-BMFZPTHFSA-N 2 1 312.379 3.249 20 0 DGADMP CCC[N@@H+]1CCc2c(N)sc(Nc3c[nH+]c(N)c(C)c3)c2C1 ZINC001249784994 1105380112 /nfs/dbraw/zinc/38/01/12/1105380112.db2.gz VFAFVXFFXTVNKQ-UHFFFAOYSA-N 2 1 317.462 3.128 20 0 DGADMP CCC[N@H+]1CCc2c(N)sc(Nc3c[nH+]c(N)c(C)c3)c2C1 ZINC001249784994 1105380118 /nfs/dbraw/zinc/38/01/18/1105380118.db2.gz VFAFVXFFXTVNKQ-UHFFFAOYSA-N 2 1 317.462 3.128 20 0 DGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ccn1 ZINC001250010364 1105426618 /nfs/dbraw/zinc/42/66/18/1105426618.db2.gz YCDOPQQMLZZREM-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001251974450 1105717461 /nfs/dbraw/zinc/71/74/61/1105717461.db2.gz GPCZUSOVCXTZJO-DZFGPLHGSA-N 2 1 324.468 3.015 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252108120 1105740769 /nfs/dbraw/zinc/74/07/69/1105740769.db2.gz KOHGVDMVZHIMPO-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252108120 1105740775 /nfs/dbraw/zinc/74/07/75/1105740775.db2.gz KOHGVDMVZHIMPO-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001252121491 1105744514 /nfs/dbraw/zinc/74/45/14/1105744514.db2.gz HFMGGXDHRNLLJB-SFHVURJKSA-N 2 1 304.478 3.182 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252780049 1105829249 /nfs/dbraw/zinc/82/92/49/1105829249.db2.gz MFCYLAQXLQBLBG-WMZOPIPTSA-N 2 1 320.477 3.117 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252790098 1105832455 /nfs/dbraw/zinc/83/24/55/1105832455.db2.gz UEDORRKBXWWLTP-SFHVURJKSA-N 2 1 324.896 3.397 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252790098 1105832461 /nfs/dbraw/zinc/83/24/61/1105832461.db2.gz UEDORRKBXWWLTP-SFHVURJKSA-N 2 1 324.896 3.397 20 0 DGADMP C=Cc1ccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252947351 1105857661 /nfs/dbraw/zinc/85/76/61/1105857661.db2.gz ZUHGOVTUDJUAMX-OAQYLSRUSA-N 2 1 322.452 3.056 20 0 DGADMP C=Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252947351 1105857670 /nfs/dbraw/zinc/85/76/70/1105857670.db2.gz ZUHGOVTUDJUAMX-OAQYLSRUSA-N 2 1 322.452 3.056 20 0 DGADMP C=Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252947351 1105857675 /nfs/dbraw/zinc/85/76/75/1105857675.db2.gz ZUHGOVTUDJUAMX-OAQYLSRUSA-N 2 1 322.452 3.056 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC001253107116 1105889706 /nfs/dbraw/zinc/88/97/06/1105889706.db2.gz KXHWGFJGLOVRAS-IBGZPJMESA-N 2 1 304.478 3.090 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001253207982 1105903859 /nfs/dbraw/zinc/90/38/59/1105903859.db2.gz MFSFKCNHUOBEGI-IRXDYDNUSA-N 2 1 310.869 3.083 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+]C1(c2cccc(F)c2)CCCCC1 ZINC001253214677 1105904444 /nfs/dbraw/zinc/90/44/44/1105904444.db2.gz RUEDRTZMYUNUQX-GOSISDBHSA-N 2 1 322.468 3.277 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC001253408030 1105936208 /nfs/dbraw/zinc/93/62/08/1105936208.db2.gz SNAKYDFYJSSUDK-IRXDYDNUSA-N 2 1 310.457 3.252 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cc(Cl)cc(Cl)c1 ZINC001253406766 1105936420 /nfs/dbraw/zinc/93/64/20/1105936420.db2.gz VXGVJMOXSVCGLB-YGRLFVJLSA-N 2 1 319.276 3.393 20 0 DGADMP CCCCC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253534787 1105952211 /nfs/dbraw/zinc/95/22/11/1105952211.db2.gz DPNSXUQXUHRYCH-PMACEKPBSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253534787 1105952216 /nfs/dbraw/zinc/95/22/16/1105952216.db2.gz DPNSXUQXUHRYCH-PMACEKPBSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253534787 1105952219 /nfs/dbraw/zinc/95/22/19/1105952219.db2.gz DPNSXUQXUHRYCH-PMACEKPBSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[C@@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001253759543 1105980823 /nfs/dbraw/zinc/98/08/23/1105980823.db2.gz FPXXNOXVZOJGPN-MUGJNUQGSA-N 2 1 316.489 3.114 20 0 DGADMP CC(C)[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001253759543 1105980827 /nfs/dbraw/zinc/98/08/27/1105980827.db2.gz FPXXNOXVZOJGPN-MUGJNUQGSA-N 2 1 316.489 3.114 20 0 DGADMP CC(C)[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001253759543 1105980831 /nfs/dbraw/zinc/98/08/31/1105980831.db2.gz FPXXNOXVZOJGPN-MUGJNUQGSA-N 2 1 316.489 3.114 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254034229 1106011947 /nfs/dbraw/zinc/01/19/47/1106011947.db2.gz IPVDIEVLUOYILJ-GOSISDBHSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040352 1106012465 /nfs/dbraw/zinc/01/24/65/1106012465.db2.gz RNLPIXHCAAJKDE-IBGZPJMESA-N 2 1 316.489 3.278 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC001254504808 1106085215 /nfs/dbraw/zinc/08/52/15/1106085215.db2.gz WLLYKPHJPLAGPP-LBPRGKRZSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cc(Br)cs2)CC1 ZINC001254514936 1106088250 /nfs/dbraw/zinc/08/82/50/1106088250.db2.gz RASGVUWILMMTBU-GFCCVEGCSA-N 2 1 317.296 3.127 20 0 DGADMP C[N@H+]1CCC[C@@H](n2c3ccccc3nc2C2CC[NH2+]CC2)CC1 ZINC001254515653 1106088390 /nfs/dbraw/zinc/08/83/90/1106088390.db2.gz AGGQGQAPZDOCBX-MRXNPFEDSA-N 2 1 312.461 3.160 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254512208 1106088658 /nfs/dbraw/zinc/08/86/58/1106088658.db2.gz KNAPECFXILQMHW-SFHVURJKSA-N 2 1 316.489 3.482 20 0 DGADMP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517265 1106090259 /nfs/dbraw/zinc/09/02/59/1106090259.db2.gz SSFUVYJKCFMAJQ-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517265 1106090265 /nfs/dbraw/zinc/09/02/65/1106090265.db2.gz SSFUVYJKCFMAJQ-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254517265 1106090272 /nfs/dbraw/zinc/09/02/72/1106090272.db2.gz SSFUVYJKCFMAJQ-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517265 1106090280 /nfs/dbraw/zinc/09/02/80/1106090280.db2.gz SSFUVYJKCFMAJQ-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254522227 1106090736 /nfs/dbraw/zinc/09/07/36/1106090736.db2.gz FEKIIBDHVMOZAA-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)C1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522227 1106090740 /nfs/dbraw/zinc/09/07/40/1106090740.db2.gz FEKIIBDHVMOZAA-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)C1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522227 1106090746 /nfs/dbraw/zinc/09/07/46/1106090746.db2.gz FEKIIBDHVMOZAA-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254524397 1106091830 /nfs/dbraw/zinc/09/18/30/1106091830.db2.gz WLFOBKQDQWMMSV-ROUUACIJSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524397 1106091839 /nfs/dbraw/zinc/09/18/39/1106091839.db2.gz WLFOBKQDQWMMSV-ROUUACIJSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524397 1106091844 /nfs/dbraw/zinc/09/18/44/1106091844.db2.gz WLFOBKQDQWMMSV-ROUUACIJSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001254524400 1106092124 /nfs/dbraw/zinc/09/21/24/1106092124.db2.gz BRULPEFKOONMPN-ILZDJORESA-N 2 1 316.489 3.476 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001254524400 1106092129 /nfs/dbraw/zinc/09/21/29/1106092129.db2.gz BRULPEFKOONMPN-ILZDJORESA-N 2 1 316.489 3.476 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001254524400 1106092134 /nfs/dbraw/zinc/09/21/34/1106092134.db2.gz BRULPEFKOONMPN-ILZDJORESA-N 2 1 316.489 3.476 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC001254523599 1106092618 /nfs/dbraw/zinc/09/26/18/1106092618.db2.gz PUSHHLQCTUZRMI-HNNXBMFYSA-N 2 1 324.415 3.292 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254524394 1106092804 /nfs/dbraw/zinc/09/28/04/1106092804.db2.gz WLFOBKQDQWMMSV-QZTJIDSGSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524394 1106092809 /nfs/dbraw/zinc/09/28/09/1106092809.db2.gz WLFOBKQDQWMMSV-QZTJIDSGSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524394 1106092814 /nfs/dbraw/zinc/09/28/14/1106092814.db2.gz WLFOBKQDQWMMSV-QZTJIDSGSA-N 2 1 302.462 3.323 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254523964 1106093676 /nfs/dbraw/zinc/09/36/76/1106093676.db2.gz STXSNTLQWFHKJR-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254523964 1106093680 /nfs/dbraw/zinc/09/36/80/1106093680.db2.gz STXSNTLQWFHKJR-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254523964 1106093686 /nfs/dbraw/zinc/09/36/86/1106093686.db2.gz STXSNTLQWFHKJR-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254523964 1106093691 /nfs/dbraw/zinc/09/36/91/1106093691.db2.gz STXSNTLQWFHKJR-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001254530250 1106095170 /nfs/dbraw/zinc/09/51/70/1106095170.db2.gz VTIIONBOSVHRBL-GOSISDBHSA-N 2 1 314.473 3.152 20 0 DGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+](C4Cc5ccccc5C4)C[C@@H]3C2)c1 ZINC001255020959 1106167740 /nfs/dbraw/zinc/16/77/40/1106167740.db2.gz GVTYCIKWQAXVLB-HDICACEKSA-N 2 1 324.493 3.279 20 0 DGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+](C4Cc5ccccc5C4)C[C@@H]3C2)c1 ZINC001255020959 1106167741 /nfs/dbraw/zinc/16/77/41/1106167741.db2.gz GVTYCIKWQAXVLB-HDICACEKSA-N 2 1 324.493 3.279 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+](C4Cc5ccccc5C4)C[C@@H]3C2)c1 ZINC001255020959 1106167742 /nfs/dbraw/zinc/16/77/42/1106167742.db2.gz GVTYCIKWQAXVLB-HDICACEKSA-N 2 1 324.493 3.279 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+](C4Cc5ccccc5C4)C[C@@H]3C2)c1 ZINC001255020959 1106167743 /nfs/dbraw/zinc/16/77/43/1106167743.db2.gz GVTYCIKWQAXVLB-HDICACEKSA-N 2 1 324.493 3.279 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4Cc5ccccc5C4)C[C@H]3C2)c1 ZINC001255020960 1106167762 /nfs/dbraw/zinc/16/77/62/1106167762.db2.gz GVTYCIKWQAXVLB-QZTJIDSGSA-N 2 1 324.493 3.279 20 0 DGADMP [NH2+]=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC001255099439 1106178885 /nfs/dbraw/zinc/17/88/85/1106178885.db2.gz FWBUMTXGBVXOMG-OAHLLOKOSA-N 2 1 315.367 3.154 20 0 DGADMP [NH2+]=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC001255099439 1106178888 /nfs/dbraw/zinc/17/88/88/1106178888.db2.gz FWBUMTXGBVXOMG-OAHLLOKOSA-N 2 1 315.367 3.154 20 0 DGADMP [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255123165 1106183468 /nfs/dbraw/zinc/18/34/68/1106183468.db2.gz ZPEYZYUXRJNOJK-LJDSDSDDSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255123165 1106183473 /nfs/dbraw/zinc/18/34/73/1106183473.db2.gz ZPEYZYUXRJNOJK-LJDSDSDDSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255123165 1106183477 /nfs/dbraw/zinc/18/34/77/1106183477.db2.gz ZPEYZYUXRJNOJK-LJDSDSDDSA-N 3 1 313.489 3.042 20 0 DGADMP C[C@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122406 1106184014 /nfs/dbraw/zinc/18/40/14/1106184014.db2.gz PQVMBJVQNSICIN-OWLYRPNTSA-N 2 1 310.445 3.271 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC001255123258 1106184165 /nfs/dbraw/zinc/18/41/65/1106184165.db2.gz QHNDWRQZJUXGQH-OWZKRDHZSA-N 2 1 307.441 3.367 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC001255123258 1106184169 /nfs/dbraw/zinc/18/41/69/1106184169.db2.gz QHNDWRQZJUXGQH-OWZKRDHZSA-N 2 1 307.441 3.367 20 0 DGADMP O=c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH]1 ZINC001255126466 1106184725 /nfs/dbraw/zinc/18/47/25/1106184725.db2.gz MPLJOHMOYQBIMU-REPLKXPHSA-N 2 1 323.440 3.072 20 0 DGADMP Cc1ncn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001255124752 1106185114 /nfs/dbraw/zinc/18/51/14/1106185114.db2.gz NQBYVJBTTVDVHD-REPLKXPHSA-N 2 1 324.472 3.061 20 0 DGADMP [NH3+]Cc1ncccc1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130325 1106186391 /nfs/dbraw/zinc/18/63/91/1106186391.db2.gz SVUWHBAHYGWTEU-BCDXTJNWSA-N 2 1 322.456 3.148 20 0 DGADMP COC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135400 1106186407 /nfs/dbraw/zinc/18/64/07/1106186407.db2.gz AUUBEJSUJIDOMG-REPLKXPHSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136476 1106188175 /nfs/dbraw/zinc/18/81/75/1106188175.db2.gz LJXYIVPTEXGJEU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136476 1106188179 /nfs/dbraw/zinc/18/81/79/1106188179.db2.gz LJXYIVPTEXGJEU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136476 1106188184 /nfs/dbraw/zinc/18/81/84/1106188184.db2.gz LJXYIVPTEXGJEU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136476 1106188187 /nfs/dbraw/zinc/18/81/87/1106188187.db2.gz LJXYIVPTEXGJEU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP CN(CCC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137773 1106188488 /nfs/dbraw/zinc/18/84/88/1106188488.db2.gz XDLPORIZHMBOGT-ACDBMABISA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@]1(O)CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255145761 1106189374 /nfs/dbraw/zinc/18/93/74/1106189374.db2.gz UEUUTRMCAFJMMJ-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255145761 1106189378 /nfs/dbraw/zinc/18/93/78/1106189378.db2.gz UEUUTRMCAFJMMJ-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145761 1106189381 /nfs/dbraw/zinc/18/93/81/1106189381.db2.gz UEUUTRMCAFJMMJ-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+]([C@@H]2CCSC2)C3)cc1 ZINC001255294456 1106217329 /nfs/dbraw/zinc/21/73/29/1106217329.db2.gz OLFDOKDDAVWDBS-RTBURBONSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+]([C@@H]2CCSC2)C3)cc1 ZINC001255294456 1106217334 /nfs/dbraw/zinc/21/73/34/1106217334.db2.gz OLFDOKDDAVWDBS-RTBURBONSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+]([C@H]2CCSC2)C3)cc1 ZINC001255294455 1106217429 /nfs/dbraw/zinc/21/74/29/1106217429.db2.gz OLFDOKDDAVWDBS-RBUKOAKNSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+]([C@H]2CCSC2)C3)cc1 ZINC001255294455 1106217431 /nfs/dbraw/zinc/21/74/31/1106217431.db2.gz OLFDOKDDAVWDBS-RBUKOAKNSA-N 2 1 316.514 3.480 20 0 DGADMP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255315921 1106220965 /nfs/dbraw/zinc/22/09/65/1106220965.db2.gz CQFRPUBIYNMERF-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255315921 1106220971 /nfs/dbraw/zinc/22/09/71/1106220971.db2.gz CQFRPUBIYNMERF-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001255367361 1106232353 /nfs/dbraw/zinc/23/23/53/1106232353.db2.gz MJECHYKYMZWHJR-ZWKOTPCHSA-N 2 1 324.509 3.161 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255374789 1106235666 /nfs/dbraw/zinc/23/56/66/1106235666.db2.gz CELKRXSBGYDXPP-RTWAWAEBSA-N 2 1 324.468 3.364 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380450 1106236550 /nfs/dbraw/zinc/23/65/50/1106236550.db2.gz KIZDWXPGTUCLMU-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384180 1106237777 /nfs/dbraw/zinc/23/77/77/1106237777.db2.gz UZMWUVDMOFQZPN-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255386307 1106237839 /nfs/dbraw/zinc/23/78/39/1106237839.db2.gz LWJDRLSBNBLUJX-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386307 1106237841 /nfs/dbraw/zinc/23/78/41/1106237841.db2.gz LWJDRLSBNBLUJX-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255386307 1106237845 /nfs/dbraw/zinc/23/78/45/1106237845.db2.gz LWJDRLSBNBLUJX-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386307 1106237848 /nfs/dbraw/zinc/23/78/48/1106237848.db2.gz LWJDRLSBNBLUJX-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255387515 1106239375 /nfs/dbraw/zinc/23/93/75/1106239375.db2.gz SCLNCDWVPVPBIK-VAMGGRTRSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC001255397016 1106240499 /nfs/dbraw/zinc/24/04/99/1106240499.db2.gz CUUHFOFDPIOZRU-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC001255397016 1106240502 /nfs/dbraw/zinc/24/05/02/1106240502.db2.gz CUUHFOFDPIOZRU-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255396742 1106240560 /nfs/dbraw/zinc/24/05/60/1106240560.db2.gz BJOPDCZBYZICTM-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255396742 1106240563 /nfs/dbraw/zinc/24/05/63/1106240563.db2.gz BJOPDCZBYZICTM-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396742 1106240566 /nfs/dbraw/zinc/24/05/66/1106240566.db2.gz BJOPDCZBYZICTM-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP OC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001255395921 1106240612 /nfs/dbraw/zinc/24/06/12/1106240612.db2.gz FVYWSXPVAUNALO-IBGZPJMESA-N 2 1 316.489 3.326 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001255392897 1106241027 /nfs/dbraw/zinc/24/10/27/1106241027.db2.gz MTQCWERTOZEBBV-RBUKOAKNSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC001255397283 1106241192 /nfs/dbraw/zinc/24/11/92/1106241192.db2.gz DUICDSOBZONXQA-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H]1CO ZINC001255397283 1106241196 /nfs/dbraw/zinc/24/11/96/1106241196.db2.gz DUICDSOBZONXQA-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H]1CO ZINC001255397283 1106241199 /nfs/dbraw/zinc/24/11/99/1106241199.db2.gz DUICDSOBZONXQA-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP CN1CCC[C@](C)([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399047 1106243439 /nfs/dbraw/zinc/24/34/39/1106243439.db2.gz ZCKWIVMDAQODAP-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@](C)(N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399047 1106243442 /nfs/dbraw/zinc/24/34/42/1106243442.db2.gz ZCKWIVMDAQODAP-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@](C)(N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399047 1106243447 /nfs/dbraw/zinc/24/34/47/1106243447.db2.gz ZCKWIVMDAQODAP-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@](C)(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399047 1106243450 /nfs/dbraw/zinc/24/34/50/1106243450.db2.gz ZCKWIVMDAQODAP-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@](C)(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399047 1106243453 /nfs/dbraw/zinc/24/34/53/1106243453.db2.gz ZCKWIVMDAQODAP-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401511 1106244265 /nfs/dbraw/zinc/24/42/65/1106244265.db2.gz AVGQCZSTBFJMGA-ZSYWTGECSA-N 2 1 302.437 3.473 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401511 1106244270 /nfs/dbraw/zinc/24/42/70/1106244270.db2.gz AVGQCZSTBFJMGA-ZSYWTGECSA-N 2 1 302.437 3.473 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401511 1106244274 /nfs/dbraw/zinc/24/42/74/1106244274.db2.gz AVGQCZSTBFJMGA-ZSYWTGECSA-N 2 1 302.437 3.473 20 0 DGADMP OCC[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255405020 1106244755 /nfs/dbraw/zinc/24/47/55/1106244755.db2.gz MIAUBIXSZOUEST-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255405020 1106244758 /nfs/dbraw/zinc/24/47/58/1106244758.db2.gz MIAUBIXSZOUEST-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255405020 1106244760 /nfs/dbraw/zinc/24/47/60/1106244760.db2.gz MIAUBIXSZOUEST-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401509 1106244964 /nfs/dbraw/zinc/24/49/64/1106244964.db2.gz AVGQCZSTBFJMGA-CADBVGFASA-N 2 1 302.437 3.473 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401509 1106244966 /nfs/dbraw/zinc/24/49/66/1106244966.db2.gz AVGQCZSTBFJMGA-CADBVGFASA-N 2 1 302.437 3.473 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401509 1106244969 /nfs/dbraw/zinc/24/49/69/1106244969.db2.gz AVGQCZSTBFJMGA-CADBVGFASA-N 2 1 302.437 3.473 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400889 1106245125 /nfs/dbraw/zinc/24/51/25/1106245125.db2.gz OSEGXZJKGSKETF-IBGZPJMESA-N 2 1 324.472 3.062 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400889 1106245127 /nfs/dbraw/zinc/24/51/27/1106245127.db2.gz OSEGXZJKGSKETF-IBGZPJMESA-N 2 1 324.472 3.062 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001255400167 1106245485 /nfs/dbraw/zinc/24/54/85/1106245485.db2.gz GZDSMLARZHMOLE-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001255400167 1106245488 /nfs/dbraw/zinc/24/54/88/1106245488.db2.gz GZDSMLARZHMOLE-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001255400167 1106245492 /nfs/dbraw/zinc/24/54/92/1106245492.db2.gz GZDSMLARZHMOLE-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP CC1(C)COCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406873 1106247292 /nfs/dbraw/zinc/24/72/92/1106247292.db2.gz URJPEQSFYSRPSC-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)COCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406873 1106247294 /nfs/dbraw/zinc/24/72/94/1106247294.db2.gz URJPEQSFYSRPSC-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)COCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406873 1106247296 /nfs/dbraw/zinc/24/72/96/1106247296.db2.gz URJPEQSFYSRPSC-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)COCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255406873 1106247299 /nfs/dbraw/zinc/24/72/99/1106247299.db2.gz URJPEQSFYSRPSC-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408092 1106247371 /nfs/dbraw/zinc/24/73/71/1106247371.db2.gz HYNLSZXGFWEFNE-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408092 1106247375 /nfs/dbraw/zinc/24/73/75/1106247375.db2.gz HYNLSZXGFWEFNE-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408092 1106247376 /nfs/dbraw/zinc/24/73/76/1106247376.db2.gz HYNLSZXGFWEFNE-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@H]4OCC[C@H]4C3)CC2)cc1 ZINC001255408092 1106247380 /nfs/dbraw/zinc/24/73/80/1106247380.db2.gz HYNLSZXGFWEFNE-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP C[N@H+]1CCC[C@H](n2cc(C[NH3+])c3cc(Br)ccc32)C1 ZINC001255475734 1106256463 /nfs/dbraw/zinc/25/64/63/1106256463.db2.gz UTVSZVCBKBBDIU-ZDUSSCGKSA-N 2 1 322.250 3.129 20 0 DGADMP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001255476318 1106256740 /nfs/dbraw/zinc/25/67/40/1106256740.db2.gz DHVLVWZETDEBJD-SNVBAGLBSA-N 2 1 319.758 3.368 20 0 DGADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001255476318 1106256741 /nfs/dbraw/zinc/25/67/41/1106256741.db2.gz DHVLVWZETDEBJD-SNVBAGLBSA-N 2 1 319.758 3.368 20 0 DGADMP COC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001255582937 1106273448 /nfs/dbraw/zinc/27/34/48/1106273448.db2.gz FDLXHOUBVYUOSO-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255582937 1106273452 /nfs/dbraw/zinc/27/34/52/1106273452.db2.gz FDLXHOUBVYUOSO-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255582937 1106273454 /nfs/dbraw/zinc/27/34/54/1106273454.db2.gz FDLXHOUBVYUOSO-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC001255613569 1106277868 /nfs/dbraw/zinc/27/78/68/1106277868.db2.gz DNJPYCLVBWQBPB-UHFFFAOYSA-N 2 1 312.498 3.164 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001255652885 1106286277 /nfs/dbraw/zinc/28/62/77/1106286277.db2.gz VVAOCCLGMHHBBV-STQMWFEESA-N 2 1 322.415 3.339 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255662917 1106289129 /nfs/dbraw/zinc/28/91/29/1106289129.db2.gz VBEWDIUZUAISJF-QBUWPKIASA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255662917 1106289135 /nfs/dbraw/zinc/28/91/35/1106289135.db2.gz VBEWDIUZUAISJF-QBUWPKIASA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255666281 1106290097 /nfs/dbraw/zinc/29/00/97/1106290097.db2.gz ZQOYGUBPNGDYRF-XYTVBORESA-N 2 1 318.461 3.067 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255673927 1106292144 /nfs/dbraw/zinc/29/21/44/1106292144.db2.gz IDZGQJMUTVHQSO-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255673927 1106292145 /nfs/dbraw/zinc/29/21/45/1106292145.db2.gz IDZGQJMUTVHQSO-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255673927 1106292147 /nfs/dbraw/zinc/29/21/47/1106292147.db2.gz IDZGQJMUTVHQSO-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COC(=O)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001255672036 1106292216 /nfs/dbraw/zinc/29/22/16/1106292216.db2.gz VVRNXWOEYMFDAL-HQSKLWIPSA-N 2 1 322.493 3.103 20 0 DGADMP COC(=O)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001255672036 1106292217 /nfs/dbraw/zinc/29/22/17/1106292217.db2.gz VVRNXWOEYMFDAL-HQSKLWIPSA-N 2 1 322.493 3.103 20 0 DGADMP CCCC[NH+]1CCC(N(C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255682159 1106293628 /nfs/dbraw/zinc/29/36/28/1106293628.db2.gz CJPUKWSOLNLURI-DFNIBXOVSA-N 2 1 307.526 3.198 20 0 DGADMP CCC[N@H+](CCc1ccccn1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681122 1106293708 /nfs/dbraw/zinc/29/37/08/1106293708.db2.gz NEPAXNQLIZVMGQ-DFNIBXOVSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681122 1106293710 /nfs/dbraw/zinc/29/37/10/1106293710.db2.gz NEPAXNQLIZVMGQ-DFNIBXOVSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+](CCc1ccccn1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681122 1106293714 /nfs/dbraw/zinc/29/37/14/1106293714.db2.gz NEPAXNQLIZVMGQ-DFNIBXOVSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+](CCc1ccccn1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681122 1106293717 /nfs/dbraw/zinc/29/37/17/1106293717.db2.gz NEPAXNQLIZVMGQ-DFNIBXOVSA-N 2 1 301.478 3.351 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255702115 1106298188 /nfs/dbraw/zinc/29/81/88/1106298188.db2.gz XPXMNQGQRZSKJG-XDQVBPFNSA-N 2 1 320.399 3.078 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccc(C(=O)OC)cc1 ZINC001255941471 1106345407 /nfs/dbraw/zinc/34/54/07/1106345407.db2.gz RNMLSCLTGZPOQM-LSDHHAIUSA-N 2 1 306.450 3.244 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001255941680 1106345631 /nfs/dbraw/zinc/34/56/31/1106345631.db2.gz WUNODQNWLJUSDD-GOSISDBHSA-N 2 1 317.521 3.492 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001255958243 1106350041 /nfs/dbraw/zinc/35/00/41/1106350041.db2.gz ACZPESCADNOWAW-SFHVURJKSA-N 2 1 321.553 3.447 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001255964801 1106351201 /nfs/dbraw/zinc/35/12/01/1106351201.db2.gz UNFWJTFDZUIYFM-IHPCNDPISA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255966628 1106351736 /nfs/dbraw/zinc/35/17/36/1106351736.db2.gz LYQTUVOFJMSYMN-HOTGVXAUSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255966628 1106351741 /nfs/dbraw/zinc/35/17/41/1106351741.db2.gz LYQTUVOFJMSYMN-HOTGVXAUSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001255968802 1106351972 /nfs/dbraw/zinc/35/19/72/1106351972.db2.gz JDYNXUJZEZISRU-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001255968802 1106351976 /nfs/dbraw/zinc/35/19/76/1106351976.db2.gz JDYNXUJZEZISRU-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001255970758 1106352076 /nfs/dbraw/zinc/35/20/76/1106352076.db2.gz FRHQNMFMCOXJGV-AEFFLSMTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001255970758 1106352078 /nfs/dbraw/zinc/35/20/78/1106352078.db2.gz FRHQNMFMCOXJGV-AEFFLSMTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001255971838 1106353358 /nfs/dbraw/zinc/35/33/58/1106353358.db2.gz LMTSGTVLJCXJKB-HNNXBMFYSA-N 2 1 323.456 3.184 20 0 DGADMP COc1ccccc1CC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071744 1106363901 /nfs/dbraw/zinc/36/39/01/1106363901.db2.gz MZTCZGPXPUNXNU-UHFFFAOYSA-N 2 1 316.489 3.480 20 0 DGADMP C(O[C@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](C4CC4)CC3)C[C@@H]21)C1CC1 ZINC001256076899 1106365118 /nfs/dbraw/zinc/36/51/18/1106365118.db2.gz DRAKDVCTDZKDJO-UXPWSPDFSA-N 2 1 318.505 3.140 20 0 DGADMP C(O[C@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](C4CC4)CC3)C[C@@H]21)C1CC1 ZINC001256076899 1106365120 /nfs/dbraw/zinc/36/51/20/1106365120.db2.gz DRAKDVCTDZKDJO-UXPWSPDFSA-N 2 1 318.505 3.140 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256081734 1106367682 /nfs/dbraw/zinc/36/76/82/1106367682.db2.gz LPXATVCYDUCXJZ-INIZCTEOSA-N 2 1 300.446 3.111 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256081734 1106367687 /nfs/dbraw/zinc/36/76/87/1106367687.db2.gz LPXATVCYDUCXJZ-INIZCTEOSA-N 2 1 300.446 3.111 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001256145867 1106377261 /nfs/dbraw/zinc/37/72/61/1106377261.db2.gz NFDTUEOOIIPRKL-SJORKVTESA-N 2 1 304.478 3.480 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001256145866 1106377346 /nfs/dbraw/zinc/37/73/46/1106377346.db2.gz NFDTUEOOIIPRKL-IRXDYDNUSA-N 2 1 304.478 3.480 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001256155395 1106380502 /nfs/dbraw/zinc/38/05/02/1106380502.db2.gz GNMRQVIVEOIWTR-BXWFABGCSA-N 2 1 304.478 3.335 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001256199812 1106390115 /nfs/dbraw/zinc/39/01/15/1106390115.db2.gz XLGQTGGKLLTPDL-IBGZPJMESA-N 2 1 320.452 3.367 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001256199366 1106390218 /nfs/dbraw/zinc/39/02/18/1106390218.db2.gz NNJLNGZNRYLEHI-UHFFFAOYSA-N 2 1 322.880 3.072 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001256210826 1106390766 /nfs/dbraw/zinc/39/07/66/1106390766.db2.gz LUKBABQNEUGBTP-KRWDZBQOSA-N 2 1 302.462 3.044 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001256210826 1106390773 /nfs/dbraw/zinc/39/07/73/1106390773.db2.gz LUKBABQNEUGBTP-KRWDZBQOSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001256211395 1106391061 /nfs/dbraw/zinc/39/10/61/1106391061.db2.gz WCOMBJOYBVPAQP-KRWDZBQOSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001256211395 1106391068 /nfs/dbraw/zinc/39/10/68/1106391068.db2.gz WCOMBJOYBVPAQP-KRWDZBQOSA-N 2 1 302.462 3.044 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256207421 1106391083 /nfs/dbraw/zinc/39/10/83/1106391083.db2.gz JDVOOIBSOFEIBK-UHFFFAOYSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256302664 1106401893 /nfs/dbraw/zinc/40/18/93/1106401893.db2.gz BENPAFWFVYFXTO-KRWDZBQOSA-N 2 1 321.896 3.383 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307157 1106403348 /nfs/dbraw/zinc/40/33/48/1106403348.db2.gz KABAFGKFJDAQDO-KDOFPFPSSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307157 1106403352 /nfs/dbraw/zinc/40/33/52/1106403352.db2.gz KABAFGKFJDAQDO-KDOFPFPSSA-N 2 1 321.896 3.239 20 0 DGADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001256363767 1106410120 /nfs/dbraw/zinc/41/01/20/1106410120.db2.gz DGMIJGBIIBTLOB-DFQSSKMNSA-N 2 1 322.537 3.491 20 0 DGADMP CC(C)CC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001256363767 1106410122 /nfs/dbraw/zinc/41/01/22/1106410122.db2.gz DGMIJGBIIBTLOB-DFQSSKMNSA-N 2 1 322.537 3.491 20 0 DGADMP CC(C)CC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001256363767 1106410125 /nfs/dbraw/zinc/41/01/25/1106410125.db2.gz DGMIJGBIIBTLOB-DFQSSKMNSA-N 2 1 322.537 3.491 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001256404714 1106416005 /nfs/dbraw/zinc/41/60/05/1106416005.db2.gz GUHKGPIJJOBUMT-OAHLLOKOSA-N 2 1 313.420 3.102 20 0 DGADMP CCOC1CCC([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001256430614 1106421160 /nfs/dbraw/zinc/42/11/60/1106421160.db2.gz OELQHMCLKOBFMB-UHFFFAOYSA-N 2 1 317.477 3.296 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520462 1106432876 /nfs/dbraw/zinc/43/28/76/1106432876.db2.gz OVEZXEFQJCJIMB-RSPOEFSDSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520462 1106432880 /nfs/dbraw/zinc/43/28/80/1106432880.db2.gz OVEZXEFQJCJIMB-RSPOEFSDSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525380 1106433812 /nfs/dbraw/zinc/43/38/12/1106433812.db2.gz YNTOPVRWWKNRBP-OGWHTMIXSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525380 1106433816 /nfs/dbraw/zinc/43/38/16/1106433816.db2.gz YNTOPVRWWKNRBP-OGWHTMIXSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001256530663 1106435358 /nfs/dbraw/zinc/43/53/58/1106435358.db2.gz OKAHVVTWVGUQHV-WBVHZDCISA-N 2 1 315.486 3.328 20 0 DGADMP C[C@H]1C[C@H](NCC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC001256529973 1106435453 /nfs/dbraw/zinc/43/54/53/1106435453.db2.gz ZKEHBQPPDOQPKQ-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H](NCC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529973 1106435455 /nfs/dbraw/zinc/43/54/55/1106435455.db2.gz ZKEHBQPPDOQPKQ-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H](NCC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529973 1106435456 /nfs/dbraw/zinc/43/54/56/1106435456.db2.gz ZKEHBQPPDOQPKQ-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001256530661 1106435531 /nfs/dbraw/zinc/43/55/31/1106435531.db2.gz OKAHVVTWVGUQHV-RDJZCZTQSA-N 2 1 315.486 3.328 20 0 DGADMP CO[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540015 1106438067 /nfs/dbraw/zinc/43/80/67/1106438067.db2.gz ZDLDJGHKETWHCF-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540015 1106438069 /nfs/dbraw/zinc/43/80/69/1106438069.db2.gz ZDLDJGHKETWHCF-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540015 1106438071 /nfs/dbraw/zinc/43/80/71/1106438071.db2.gz ZDLDJGHKETWHCF-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540015 1106438074 /nfs/dbraw/zinc/43/80/74/1106438074.db2.gz ZDLDJGHKETWHCF-QXAKKESOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H](N(C)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539740 1106438232 /nfs/dbraw/zinc/43/82/32/1106438232.db2.gz YGKVOFMRHVTYJN-FXAWDEMLSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256538671 1106438288 /nfs/dbraw/zinc/43/82/88/1106438288.db2.gz VBCFRZSKACBIFC-ICSRJNTNSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544145 1106439276 /nfs/dbraw/zinc/43/92/76/1106439276.db2.gz WNCCTWSLZXNLNT-HOJAQTOUSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544145 1106439278 /nfs/dbraw/zinc/43/92/78/1106439278.db2.gz WNCCTWSLZXNLNT-HOJAQTOUSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544145 1106439282 /nfs/dbraw/zinc/43/92/82/1106439282.db2.gz WNCCTWSLZXNLNT-HOJAQTOUSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544145 1106439284 /nfs/dbraw/zinc/43/92/84/1106439284.db2.gz WNCCTWSLZXNLNT-HOJAQTOUSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256541490 1106439365 /nfs/dbraw/zinc/43/93/65/1106439365.db2.gz MBBQCFAWBWIXLV-QFBILLFUSA-N 2 1 324.472 3.060 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256541490 1106439368 /nfs/dbraw/zinc/43/93/68/1106439368.db2.gz MBBQCFAWBWIXLV-QFBILLFUSA-N 2 1 324.472 3.060 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549938 1106440625 /nfs/dbraw/zinc/44/06/25/1106440625.db2.gz KAQSOWVMNOBKDR-PKOBYXMFSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549938 1106440626 /nfs/dbraw/zinc/44/06/26/1106440626.db2.gz KAQSOWVMNOBKDR-PKOBYXMFSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H](N2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551131 1106440892 /nfs/dbraw/zinc/44/08/92/1106440892.db2.gz PVUJTDOLPHNHMZ-MISYRCLQSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549934 1106441337 /nfs/dbraw/zinc/44/13/37/1106441337.db2.gz KAQSOWVMNOBKDR-HKUYNNGSSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549934 1106441341 /nfs/dbraw/zinc/44/13/41/1106441341.db2.gz KAQSOWVMNOBKDR-HKUYNNGSSA-N 2 1 314.473 3.294 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256551887 1106441402 /nfs/dbraw/zinc/44/14/02/1106441402.db2.gz WIWAXRMLOWFIPG-HKUYNNGSSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@H+](CCCO)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551887 1106441404 /nfs/dbraw/zinc/44/14/04/1106441404.db2.gz WIWAXRMLOWFIPG-HKUYNNGSSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551887 1106441406 /nfs/dbraw/zinc/44/14/06/1106441406.db2.gz WIWAXRMLOWFIPG-HKUYNNGSSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551887 1106441410 /nfs/dbraw/zinc/44/14/10/1106441410.db2.gz WIWAXRMLOWFIPG-HKUYNNGSSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551887 1106441411 /nfs/dbraw/zinc/44/14/11/1106441411.db2.gz WIWAXRMLOWFIPG-HKUYNNGSSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCO3)C2)CCN1Cc1ccccc1 ZINC001256552934 1106441422 /nfs/dbraw/zinc/44/14/22/1106441422.db2.gz FRAJPUAGNKAIDQ-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552934 1106441424 /nfs/dbraw/zinc/44/14/24/1106441424.db2.gz FRAJPUAGNKAIDQ-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552934 1106441425 /nfs/dbraw/zinc/44/14/25/1106441425.db2.gz FRAJPUAGNKAIDQ-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552934 1106441428 /nfs/dbraw/zinc/44/14/28/1106441428.db2.gz FRAJPUAGNKAIDQ-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552934 1106441430 /nfs/dbraw/zinc/44/14/30/1106441430.db2.gz FRAJPUAGNKAIDQ-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP CCC1(O)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552940 1106442527 /nfs/dbraw/zinc/44/25/27/1106442527.db2.gz FTMHSLAAXYJWEY-HKUYNNGSSA-N 2 1 316.489 3.276 20 0 DGADMP CCC1(O)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552940 1106442531 /nfs/dbraw/zinc/44/25/31/1106442531.db2.gz FTMHSLAAXYJWEY-HKUYNNGSSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556290 1106443261 /nfs/dbraw/zinc/44/32/61/1106443261.db2.gz YLZFRKYRISTIGW-MEBIHWHUSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556290 1106443264 /nfs/dbraw/zinc/44/32/64/1106443264.db2.gz YLZFRKYRISTIGW-MEBIHWHUSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556290 1106443266 /nfs/dbraw/zinc/44/32/66/1106443266.db2.gz YLZFRKYRISTIGW-MEBIHWHUSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556290 1106443269 /nfs/dbraw/zinc/44/32/69/1106443269.db2.gz YLZFRKYRISTIGW-MEBIHWHUSA-N 2 1 314.473 3.006 20 0 DGADMP CCc1noc([C@@H]2CCC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256575845 1106448377 /nfs/dbraw/zinc/44/83/77/1106448377.db2.gz WLIGZNWVBYWHNM-CQSZACIVSA-N 2 1 320.481 3.074 20 0 DGADMP CCc1noc([C@@H]2CCC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256575845 1106448380 /nfs/dbraw/zinc/44/83/80/1106448380.db2.gz WLIGZNWVBYWHNM-CQSZACIVSA-N 2 1 320.481 3.074 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@@H]1C ZINC001256577921 1106449454 /nfs/dbraw/zinc/44/94/54/1106449454.db2.gz YMFURTUTFKHWNL-HOTGVXAUSA-N 2 1 324.509 3.161 20 0 DGADMP c1[nH+]c(CNC2CC[NH+](Cc3ccccc3)CC2)c2ccccn12 ZINC001256601085 1106451787 /nfs/dbraw/zinc/45/17/87/1106451787.db2.gz PDZRMARZAUSDTB-UHFFFAOYSA-N 2 1 320.440 3.089 20 0 DGADMP OC12CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)(CC1)CC2 ZINC001256600549 1106452129 /nfs/dbraw/zinc/45/21/29/1106452129.db2.gz VCACCGXLTKVTFV-UHFFFAOYSA-N 2 1 314.473 3.078 20 0 DGADMP C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001256604836 1106452395 /nfs/dbraw/zinc/45/23/95/1106452395.db2.gz XIAXTKWMROGYTK-XLIONFOSSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001256604836 1106452398 /nfs/dbraw/zinc/45/23/98/1106452398.db2.gz XIAXTKWMROGYTK-XLIONFOSSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)[N@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001256612674 1106453971 /nfs/dbraw/zinc/45/39/71/1106453971.db2.gz PJZYKSOGKXGNRY-SFHVURJKSA-N 2 1 315.505 3.066 20 0 DGADMP COc1ccccc1CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621131 1106454986 /nfs/dbraw/zinc/45/49/86/1106454986.db2.gz KMFQKYCZMFQSSE-ALOPSCKCSA-N 2 1 302.462 3.231 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256627316 1106455773 /nfs/dbraw/zinc/45/57/73/1106455773.db2.gz DLKHTGDPSIZVFQ-ZZJWQFMZSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256627316 1106455776 /nfs/dbraw/zinc/45/57/76/1106455776.db2.gz DLKHTGDPSIZVFQ-ZZJWQFMZSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256627316 1106455778 /nfs/dbraw/zinc/45/57/78/1106455778.db2.gz DLKHTGDPSIZVFQ-ZZJWQFMZSA-N 2 1 314.473 3.463 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629937 1106456626 /nfs/dbraw/zinc/45/66/26/1106456626.db2.gz WPHIDYIWPBXHJZ-NAZJXLNTSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629937 1106456627 /nfs/dbraw/zinc/45/66/27/1106456627.db2.gz WPHIDYIWPBXHJZ-NAZJXLNTSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629937 1106456628 /nfs/dbraw/zinc/45/66/28/1106456628.db2.gz WPHIDYIWPBXHJZ-NAZJXLNTSA-N 2 1 302.462 3.183 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C)C2 ZINC001256643542 1106460708 /nfs/dbraw/zinc/46/07/08/1106460708.db2.gz NUNRFFCUCRKFII-IEZWGBDMSA-N 2 1 316.489 3.261 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C)C2 ZINC001256643541 1106460847 /nfs/dbraw/zinc/46/08/47/1106460847.db2.gz NUNRFFCUCRKFII-HHXXYDBFSA-N 2 1 316.489 3.261 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256745067 1106479043 /nfs/dbraw/zinc/47/90/43/1106479043.db2.gz GBMPEHMUNDFDID-RXVVDRJESA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256745067 1106479046 /nfs/dbraw/zinc/47/90/46/1106479046.db2.gz GBMPEHMUNDFDID-RXVVDRJESA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256745067 1106479053 /nfs/dbraw/zinc/47/90/53/1106479053.db2.gz GBMPEHMUNDFDID-RXVVDRJESA-N 2 1 323.484 3.467 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256816143 1106488990 /nfs/dbraw/zinc/48/89/90/1106488990.db2.gz GXNSJITVACETMT-OALUTQOASA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC001256826140 1106491813 /nfs/dbraw/zinc/49/18/13/1106491813.db2.gz RXJGMSNJOZMRIH-OALUTQOASA-N 2 1 314.473 3.324 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256830078 1106492574 /nfs/dbraw/zinc/49/25/74/1106492574.db2.gz NHRSOSDBZPTTDI-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCO[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256830078 1106492576 /nfs/dbraw/zinc/49/25/76/1106492576.db2.gz NHRSOSDBZPTTDI-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCO[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256830078 1106492578 /nfs/dbraw/zinc/49/25/78/1106492578.db2.gz NHRSOSDBZPTTDI-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP c1cncc([C@@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256855331 1106498104 /nfs/dbraw/zinc/49/81/04/1106498104.db2.gz JHVQEOHLLOURHF-IBGZPJMESA-N 2 1 308.429 3.283 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256855703 1106498343 /nfs/dbraw/zinc/49/83/43/1106498343.db2.gz SIYYGGRMKVXNLV-UHFFFAOYSA-N 2 1 323.440 3.117 20 0 DGADMP COc1cccc2c1CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256865338 1106499604 /nfs/dbraw/zinc/49/96/04/1106499604.db2.gz YTTFXFVIMVBOQK-UHFFFAOYSA-N 2 1 323.440 3.117 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256863012 1106499972 /nfs/dbraw/zinc/49/99/72/1106499972.db2.gz UNYUXOKYSVMURX-UHFFFAOYSA-N 2 1 324.472 3.400 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256897224 1106504794 /nfs/dbraw/zinc/50/47/94/1106504794.db2.gz HJUZCPWWGBWDQD-GUDVDZBRSA-N 2 1 321.553 3.351 20 0 DGADMP [NH3+]CC[C@@H]1CN([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256900802 1106506321 /nfs/dbraw/zinc/50/63/21/1106506321.db2.gz BLNZJZWQQGMCPV-SJLPKXTDSA-N 2 1 313.489 3.346 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904376 1106506709 /nfs/dbraw/zinc/50/67/09/1106506709.db2.gz HOOMBTNPABCLTD-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904376 1106506713 /nfs/dbraw/zinc/50/67/13/1106506713.db2.gz HOOMBTNPABCLTD-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904377 1106507381 /nfs/dbraw/zinc/50/73/81/1106507381.db2.gz HOOMBTNPABCLTD-ZACQAIPSSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904377 1106507385 /nfs/dbraw/zinc/50/73/85/1106507385.db2.gz HOOMBTNPABCLTD-ZACQAIPSSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906417 1106507775 /nfs/dbraw/zinc/50/77/75/1106507775.db2.gz BDWQLKFETJBEAA-DOTOQJQBSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906417 1106507777 /nfs/dbraw/zinc/50/77/77/1106507777.db2.gz BDWQLKFETJBEAA-DOTOQJQBSA-N 2 1 302.462 3.320 20 0 DGADMP Oc1ccc(CC2([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001256907575 1106507895 /nfs/dbraw/zinc/50/78/95/1106507895.db2.gz DVKGRDCZIDMFKF-KRWDZBQOSA-N 2 1 314.473 3.464 20 0 DGADMP Oc1ccc(CC2([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001256907575 1106507898 /nfs/dbraw/zinc/50/78/98/1106507898.db2.gz DVKGRDCZIDMFKF-KRWDZBQOSA-N 2 1 314.473 3.464 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001256908136 1106509051 /nfs/dbraw/zinc/50/90/51/1106509051.db2.gz LPZPFYLNMDIPEI-QZTJIDSGSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC[C@@H](N[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001256908136 1106509055 /nfs/dbraw/zinc/50/90/55/1106509055.db2.gz LPZPFYLNMDIPEI-QZTJIDSGSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC[C@@H](N[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001256908136 1106509060 /nfs/dbraw/zinc/50/90/60/1106509060.db2.gz LPZPFYLNMDIPEI-QZTJIDSGSA-N 2 1 319.537 3.390 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCCN(C3CCCC3)C2)C1 ZINC001256909967 1106509084 /nfs/dbraw/zinc/50/90/84/1106509084.db2.gz VLYIHHPDOHREBX-PKOBYXMFSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@@H]1CCCCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256909967 1106509089 /nfs/dbraw/zinc/50/90/89/1106509089.db2.gz VLYIHHPDOHREBX-PKOBYXMFSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@@H]1CCCCN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256909967 1106509094 /nfs/dbraw/zinc/50/90/94/1106509094.db2.gz VLYIHHPDOHREBX-PKOBYXMFSA-N 2 1 307.526 3.234 20 0 DGADMP CC(C)(Cc1ccccn1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908458 1106509236 /nfs/dbraw/zinc/50/92/36/1106509236.db2.gz KYWIVWLJHWHXQN-KRWDZBQOSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)(Cc1ccccn1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908458 1106509237 /nfs/dbraw/zinc/50/92/37/1106509237.db2.gz KYWIVWLJHWHXQN-KRWDZBQOSA-N 2 1 301.478 3.399 20 0 DGADMP Fc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256910049 1106509282 /nfs/dbraw/zinc/50/92/82/1106509282.db2.gz WSVDNUSBEPNJLG-ROUUACIJSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256910049 1106509286 /nfs/dbraw/zinc/50/92/86/1106509286.db2.gz WSVDNUSBEPNJLG-ROUUACIJSA-N 2 1 302.437 3.290 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC001256911117 1106510481 /nfs/dbraw/zinc/51/04/81/1106510481.db2.gz JODUSTPXKRRAER-HXUWFJFHSA-N 2 1 319.537 3.344 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257211865 1106552254 /nfs/dbraw/zinc/55/22/54/1106552254.db2.gz PDPNWNVJNDXOEG-FQEVSTJZSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1cccc(CN2CC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257211865 1106552256 /nfs/dbraw/zinc/55/22/56/1106552256.db2.gz PDPNWNVJNDXOEG-FQEVSTJZSA-N 2 1 315.505 3.032 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001257219662 1106553481 /nfs/dbraw/zinc/55/34/81/1106553481.db2.gz HJKQZBQFTSPXSW-LJQANCHMSA-N 2 1 302.462 3.403 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001257219662 1106553484 /nfs/dbraw/zinc/55/34/84/1106553484.db2.gz HJKQZBQFTSPXSW-LJQANCHMSA-N 2 1 302.462 3.403 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001257221723 1106554185 /nfs/dbraw/zinc/55/41/85/1106554185.db2.gz DYRVQZGLYLQCME-MRXNPFEDSA-N 2 1 310.482 3.055 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001257221723 1106554187 /nfs/dbraw/zinc/55/41/87/1106554187.db2.gz DYRVQZGLYLQCME-MRXNPFEDSA-N 2 1 310.482 3.055 20 0 DGADMP CC(C)[NH+]1CCC(N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)CC1 ZINC001257222696 1106554485 /nfs/dbraw/zinc/55/44/85/1106554485.db2.gz CBYVNCNQCZVFHM-KRWDZBQOSA-N 2 1 307.526 3.198 20 0 DGADMP CCC[C@@H](CC)[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001257262874 1106558695 /nfs/dbraw/zinc/55/86/95/1106558695.db2.gz NRHCFNQTTRBPIK-IPMKNSEASA-N 2 1 308.510 3.388 20 0 DGADMP CCC[C@@H](CC)[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001257262874 1106558697 /nfs/dbraw/zinc/55/86/97/1106558697.db2.gz NRHCFNQTTRBPIK-IPMKNSEASA-N 2 1 308.510 3.388 20 0 DGADMP CCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001257318572 1106566390 /nfs/dbraw/zinc/56/63/90/1106566390.db2.gz FAKWLIXNLJYZNC-MRXNPFEDSA-N 2 1 304.482 3.039 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001257380965 1106577418 /nfs/dbraw/zinc/57/74/18/1106577418.db2.gz GIFFLHWPQUEUMR-WMZOPIPTSA-N 2 1 324.509 3.353 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001257380965 1106577420 /nfs/dbraw/zinc/57/74/20/1106577420.db2.gz GIFFLHWPQUEUMR-WMZOPIPTSA-N 2 1 324.509 3.353 20 0 DGADMP CCCC[C@H](CC)[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257424003 1106586775 /nfs/dbraw/zinc/58/67/75/1106586775.db2.gz YJYZIRPIDQOSHJ-INIZCTEOSA-N 2 1 321.513 3.293 20 0 DGADMP CCCC[C@H](CC)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257424003 1106586779 /nfs/dbraw/zinc/58/67/79/1106586779.db2.gz YJYZIRPIDQOSHJ-INIZCTEOSA-N 2 1 321.513 3.293 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001257441078 1106589889 /nfs/dbraw/zinc/58/98/89/1106589889.db2.gz UTYAMOMAQVQAKG-JKSUJKDBSA-N 2 1 306.450 3.133 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC2(COC2)CC1 ZINC001257900474 1106643715 /nfs/dbraw/zinc/64/37/15/1106643715.db2.gz CDVMWVANMLADMQ-INIZCTEOSA-N 2 1 302.462 3.043 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257946081 1106648105 /nfs/dbraw/zinc/64/81/05/1106648105.db2.gz AYNKOEJTAPCXHB-MRXNPFEDSA-N 2 1 310.869 3.355 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257948591 1106648302 /nfs/dbraw/zinc/64/83/02/1106648302.db2.gz PWSUCGCURJDYSE-YOEHRIQHSA-N 2 1 322.880 3.498 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC001258003021 1106655925 /nfs/dbraw/zinc/65/59/25/1106655925.db2.gz URVGIAYEOXWJMZ-GOSISDBHSA-N 2 1 324.896 3.474 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001258008676 1106657350 /nfs/dbraw/zinc/65/73/50/1106657350.db2.gz CKGQRLZPPMVNTR-UAPYVXQJSA-N 2 1 309.542 3.349 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258013977 1106658285 /nfs/dbraw/zinc/65/82/85/1106658285.db2.gz ASSGTJJUCHGYCA-IBGZPJMESA-N 2 1 320.452 3.399 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258013977 1106658287 /nfs/dbraw/zinc/65/82/87/1106658287.db2.gz ASSGTJJUCHGYCA-IBGZPJMESA-N 2 1 320.452 3.399 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001258014715 1106658347 /nfs/dbraw/zinc/65/83/47/1106658347.db2.gz RLGYNQGFPDBPPM-INIZCTEOSA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001258014715 1106658349 /nfs/dbraw/zinc/65/83/49/1106658349.db2.gz RLGYNQGFPDBPPM-INIZCTEOSA-N 2 1 324.509 3.161 20 0 DGADMP COc1ccccc1CC[N@@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258017151 1106659561 /nfs/dbraw/zinc/65/95/61/1106659561.db2.gz UCKGAUAEITUGTM-UHFFFAOYSA-N 2 1 304.478 3.290 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258108852 1106674449 /nfs/dbraw/zinc/67/44/49/1106674449.db2.gz BUAINIGQKPBICC-IRXDYDNUSA-N 2 1 320.477 3.205 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258124557 1106677069 /nfs/dbraw/zinc/67/70/69/1106677069.db2.gz IYQHSGLOQXNWCQ-BZSNNMDCSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258124557 1106677074 /nfs/dbraw/zinc/67/70/74/1106677074.db2.gz IYQHSGLOQXNWCQ-BZSNNMDCSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258124557 1106677077 /nfs/dbraw/zinc/67/70/77/1106677077.db2.gz IYQHSGLOQXNWCQ-BZSNNMDCSA-N 2 1 324.509 3.447 20 0 DGADMP C[N@@H+](CCc1cccnc1)C1CCN(CCc2ccccc2)CC1 ZINC001258142698 1106680079 /nfs/dbraw/zinc/68/00/79/1106680079.db2.gz AARCSCMIWBNXCO-UHFFFAOYSA-N 2 1 323.484 3.263 20 0 DGADMP C[N@@H+](CCc1cccnc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258142698 1106680082 /nfs/dbraw/zinc/68/00/82/1106680082.db2.gz AARCSCMIWBNXCO-UHFFFAOYSA-N 2 1 323.484 3.263 20 0 DGADMP CCOC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258145736 1106680139 /nfs/dbraw/zinc/68/01/39/1106680139.db2.gz JHLYJGRWARCSLQ-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP CSCC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258217586 1106699857 /nfs/dbraw/zinc/69/98/57/1106699857.db2.gz QCYVDUGEJXOKJG-CABCVRRESA-N 2 1 314.539 3.140 20 0 DGADMP COC(=O)CC[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001258379865 1106725811 /nfs/dbraw/zinc/72/58/11/1106725811.db2.gz SKYWIOIPKVRAJH-HNNXBMFYSA-N 2 1 310.482 3.057 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001258389280 1106727437 /nfs/dbraw/zinc/72/74/37/1106727437.db2.gz LBXLRQLGYFXBIV-OWLYRPNTSA-N 2 1 302.462 3.231 20 0 DGADMP CC[N@H+](C)C1CC[NH+](C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258426958 1106742570 /nfs/dbraw/zinc/74/25/70/1106742570.db2.gz GIPWJVJEFKNBHO-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258426958 1106742579 /nfs/dbraw/zinc/74/25/79/1106742579.db2.gz GIPWJVJEFKNBHO-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC001258509867 1106788778 /nfs/dbraw/zinc/78/87/78/1106788778.db2.gz JKJRMGKCFNZUMP-YLJYHZDGSA-N 2 1 315.505 3.364 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258535658 1106806544 /nfs/dbraw/zinc/80/65/44/1106806544.db2.gz NBIPKZBVCXUKCM-HNNXBMFYSA-N 2 1 321.896 3.240 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619066 1106856447 /nfs/dbraw/zinc/85/64/47/1106856447.db2.gz VGWGHHRQEBGQKD-QRFRQXIXSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC(C)(C)C1 ZINC001258697828 1106912747 /nfs/dbraw/zinc/91/27/47/1106912747.db2.gz MQSMLLLIAIKUPK-HUUCEWRRSA-N 2 1 307.482 3.331 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001258769324 1106964512 /nfs/dbraw/zinc/96/45/12/1106964512.db2.gz LWWNIWNDWLVMIB-GOSISDBHSA-N 2 1 302.462 3.107 20 0 DGADMP CC[C@@H](C)C[C@H](CC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258795020 1106982162 /nfs/dbraw/zinc/98/21/62/1106982162.db2.gz NXJOUAHTPSLBHE-CVEARBPZSA-N 2 1 300.487 3.018 20 0 DGADMP C[C@H](CCC1CC1)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001320435621 1107006655 /nfs/dbraw/zinc/00/66/55/1107006655.db2.gz ZINUISVQXCSQEB-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC001258830514 1107014671 /nfs/dbraw/zinc/01/46/71/1107014671.db2.gz PYOJCEVAAHFYFI-DYVFJYSZSA-N 2 1 302.466 3.231 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC001258883475 1107035171 /nfs/dbraw/zinc/03/51/71/1107035171.db2.gz GSCYNBOLKOIAKO-WBVHZDCISA-N 2 1 304.478 3.479 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC001258883475 1107035156 /nfs/dbraw/zinc/03/51/56/1107035156.db2.gz GSCYNBOLKOIAKO-WBVHZDCISA-N 2 1 304.478 3.479 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001258898705 1107045973 /nfs/dbraw/zinc/04/59/73/1107045973.db2.gz PIPAVCQITBWYHK-JKSUJKDBSA-N 2 1 314.514 3.453 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)n1cc(CC[NH3+])c2cnccc21 ZINC001258903722 1107051034 /nfs/dbraw/zinc/05/10/34/1107051034.db2.gz ZMWHBFSMLOEXTD-HNNXBMFYSA-N 2 1 302.466 3.221 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]([C@H](N)C(F)(F)F)C1 ZINC001258907238 1107054485 /nfs/dbraw/zinc/05/44/85/1107054485.db2.gz OUQMMLUQYNIXBD-ZNMIVQPWSA-N 2 1 323.447 3.099 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001258908534 1107054863 /nfs/dbraw/zinc/05/48/63/1107054863.db2.gz WVJJGWOEUUMLJN-KFWWJZLASA-N 2 1 324.431 3.132 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001320759642 1107128704 /nfs/dbraw/zinc/12/87/04/1107128704.db2.gz PRHDWJJRCUEVGA-JKSUJKDBSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001320759642 1107128708 /nfs/dbraw/zinc/12/87/08/1107128708.db2.gz PRHDWJJRCUEVGA-JKSUJKDBSA-N 2 1 324.896 3.362 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)c3cccc(Cl)c3)C2)CC1 ZINC001321204653 1107286006 /nfs/dbraw/zinc/28/60/06/1107286006.db2.gz PCCKOHUGZNUVCI-KRWDZBQOSA-N 2 1 322.880 3.181 20 0 DGADMP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc(C)[nH+]1 ZINC001321378041 1107335931 /nfs/dbraw/zinc/33/59/31/1107335931.db2.gz ZGMXKLVTGBZGIQ-UHFFFAOYSA-N 2 1 323.440 3.359 20 0 DGADMP CCOCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001261837293 1107540695 /nfs/dbraw/zinc/54/06/95/1107540695.db2.gz ZIPKVXXRMNDOLN-APWZRJJASA-N 2 1 302.462 3.012 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1Cl ZINC001262047062 1107592651 /nfs/dbraw/zinc/59/26/51/1107592651.db2.gz GOGKNQGXFMJLQV-UHFFFAOYSA-N 2 1 321.852 3.015 20 0 DGADMP COc1ccc2[nH+]ccc(NCCCCn3cc[nH+]c3C)c2c1 ZINC001262359208 1107690693 /nfs/dbraw/zinc/69/06/93/1107690693.db2.gz PWQUXRUADZDHML-UHFFFAOYSA-N 2 1 310.401 3.063 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC001262361912 1107692714 /nfs/dbraw/zinc/69/27/14/1107692714.db2.gz AVYFEKKQJKVTOR-QGZVFWFLSA-N 3 1 315.505 3.143 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001262379163 1107707478 /nfs/dbraw/zinc/70/74/78/1107707478.db2.gz SUYADGHEEIUMCQ-BQFCYCMXSA-N 2 1 320.452 3.387 20 0 DGADMP [NH3+]C[C@H](c1nc([C@H]([NH3+])c2ccccc2)no1)C1CCCCCC1 ZINC001262384257 1107709825 /nfs/dbraw/zinc/70/98/25/1107709825.db2.gz ZNYYREWCCJCKTD-JKSUJKDBSA-N 2 1 314.433 3.130 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC001322615082 1107717407 /nfs/dbraw/zinc/71/74/07/1107717407.db2.gz QBSDWTJNIVQOOM-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)CCC2 ZINC001322634381 1107721697 /nfs/dbraw/zinc/72/16/97/1107721697.db2.gz ULTPLBPXHBSNFZ-KBPBESRZSA-N 2 1 307.507 3.404 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC000378927360 1108004794 /nfs/dbraw/zinc/00/47/94/1108004794.db2.gz UYUWCCBIQWSBGA-LJQANCHMSA-N 2 1 302.462 3.200 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001323696935 1108055507 /nfs/dbraw/zinc/05/55/07/1108055507.db2.gz FZZQRLZFQZCJNX-OAHLLOKOSA-N 2 1 308.416 3.171 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001323696935 1108055519 /nfs/dbraw/zinc/05/55/19/1108055519.db2.gz FZZQRLZFQZCJNX-OAHLLOKOSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001323696935 1108055533 /nfs/dbraw/zinc/05/55/33/1108055533.db2.gz FZZQRLZFQZCJNX-OAHLLOKOSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001323696935 1108055549 /nfs/dbraw/zinc/05/55/49/1108055549.db2.gz FZZQRLZFQZCJNX-OAHLLOKOSA-N 2 1 308.416 3.171 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(N)c1 ZINC000380071912 1108055568 /nfs/dbraw/zinc/05/55/68/1108055568.db2.gz QKZSOKWGZFCZSE-JENIJYKNSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(N)c1 ZINC000380071912 1108055581 /nfs/dbraw/zinc/05/55/81/1108055581.db2.gz QKZSOKWGZFCZSE-JENIJYKNSA-N 2 1 322.456 3.295 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cc2)cn1 ZINC001323768421 1108079271 /nfs/dbraw/zinc/07/92/71/1108079271.db2.gz PSCYHCXKPUSJPE-AZUAARDMSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc2)cn1 ZINC001323768424 1108079619 /nfs/dbraw/zinc/07/96/19/1108079619.db2.gz PSCYHCXKPUSJPE-UYAOXDASSA-N 2 1 324.472 3.003 20 0 DGADMP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2o1 ZINC001324424743 1108282698 /nfs/dbraw/zinc/28/26/98/1108282698.db2.gz LSPNXHVGZXPING-SFHVURJKSA-N 2 1 314.429 3.166 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(COC)c2)C1 ZINC001319189532 1108359189 /nfs/dbraw/zinc/35/91/89/1108359189.db2.gz HHTNUISHANFLMB-HOTGVXAUSA-N 2 1 320.477 3.224 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199313 1108362307 /nfs/dbraw/zinc/36/23/07/1108362307.db2.gz VXFSWFFQCINCCY-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC001319199313 1108362320 /nfs/dbraw/zinc/36/23/20/1108362320.db2.gz VXFSWFFQCINCCY-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281862 1108400242 /nfs/dbraw/zinc/40/02/42/1108400242.db2.gz DTLNGMGDUFADLM-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281862 1108400249 /nfs/dbraw/zinc/40/02/49/1108400249.db2.gz DTLNGMGDUFADLM-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc3c(n2)CCC3)n1 ZINC001324739443 1108448189 /nfs/dbraw/zinc/44/81/89/1108448189.db2.gz IXTNXUHPMURUKP-GOSISDBHSA-N 2 1 322.456 3.350 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC001319689802 1108594774 /nfs/dbraw/zinc/59/47/74/1108594774.db2.gz WNFFHQRUBHYGDZ-MRXNPFEDSA-N 2 1 302.462 3.359 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754948 1108623897 /nfs/dbraw/zinc/62/38/97/1108623897.db2.gz MSYKNRQHBWHMDT-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754948 1108623904 /nfs/dbraw/zinc/62/39/04/1108623904.db2.gz MSYKNRQHBWHMDT-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC001319856901 1108666414 /nfs/dbraw/zinc/66/64/14/1108666414.db2.gz OIFGMCLERZENHO-CVEARBPZSA-N 2 1 300.446 3.291 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC001319856901 1108666419 /nfs/dbraw/zinc/66/64/19/1108666419.db2.gz OIFGMCLERZENHO-CVEARBPZSA-N 2 1 300.446 3.291 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CCN1C ZINC001319948249 1108709431 /nfs/dbraw/zinc/70/94/31/1108709431.db2.gz LJYWXMWWFBDHEA-SJLPKXTDSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@@H]1C[C@H](N(C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948249 1108709440 /nfs/dbraw/zinc/70/94/40/1108709440.db2.gz LJYWXMWWFBDHEA-SJLPKXTDSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@@H]1C[C@H](N(C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948249 1108709453 /nfs/dbraw/zinc/70/94/53/1108709453.db2.gz LJYWXMWWFBDHEA-SJLPKXTDSA-N 2 1 301.478 3.201 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001265220527 1108784294 /nfs/dbraw/zinc/78/42/94/1108784294.db2.gz MUIJBAUXVGAOGG-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001265220527 1108784301 /nfs/dbraw/zinc/78/43/01/1108784301.db2.gz MUIJBAUXVGAOGG-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265220527 1108784308 /nfs/dbraw/zinc/78/43/08/1108784308.db2.gz MUIJBAUXVGAOGG-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000393407026 1109009650 /nfs/dbraw/zinc/00/96/50/1109009650.db2.gz VXRFFQGOJLCHBJ-CQSZACIVSA-N 2 1 318.461 3.371 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702645593 1109084275 /nfs/dbraw/zinc/08/42/75/1109084275.db2.gz YECFXYHGVSIJCM-AZUAARDMSA-N 2 1 318.505 3.429 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645593 1109084280 /nfs/dbraw/zinc/08/42/80/1109084280.db2.gz YECFXYHGVSIJCM-AZUAARDMSA-N 2 1 318.505 3.429 20 0 DGADMP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001283676431 1109671697 /nfs/dbraw/zinc/67/16/97/1109671697.db2.gz AAWRPFAFQXRYRM-BTFXCVNISA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001307455956 1111301491 /nfs/dbraw/zinc/30/14/91/1111301491.db2.gz VWJGWQBROKKRLN-QGZVFWFLSA-N 2 1 324.509 3.159 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC001307498724 1111306132 /nfs/dbraw/zinc/30/61/32/1111306132.db2.gz IHIYCSSSCLHTHV-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CC[N@H+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC001307586841 1111315983 /nfs/dbraw/zinc/31/59/83/1111315983.db2.gz WJUJSXQWKFGQFO-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001307723462 1111331487 /nfs/dbraw/zinc/33/14/87/1111331487.db2.gz GVRZVFINYGDACT-LJQANCHMSA-N 2 1 318.505 3.428 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001307723462 1111331490 /nfs/dbraw/zinc/33/14/90/1111331490.db2.gz GVRZVFINYGDACT-LJQANCHMSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)C[C@@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307759993 1111336662 /nfs/dbraw/zinc/33/66/62/1111336662.db2.gz HVGUWZQTLMSGPZ-LJQANCHMSA-N 2 1 317.521 3.171 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307991027 1111363463 /nfs/dbraw/zinc/36/34/63/1111363463.db2.gz YXUKUWXRYFSCKU-CFVMTHIKSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307991027 1111363468 /nfs/dbraw/zinc/36/34/68/1111363468.db2.gz YXUKUWXRYFSCKU-CFVMTHIKSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307991027 1111363471 /nfs/dbraw/zinc/36/34/71/1111363471.db2.gz YXUKUWXRYFSCKU-CFVMTHIKSA-N 2 1 310.388 3.233 20 0 DGADMP CSCC[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308005804 1111365831 /nfs/dbraw/zinc/36/58/31/1111365831.db2.gz AXDFUPQIJYDMIE-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP CSCC[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308005804 1111365836 /nfs/dbraw/zinc/36/58/36/1111365836.db2.gz AXDFUPQIJYDMIE-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP CSCC[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308005804 1111365839 /nfs/dbraw/zinc/36/58/39/1111365839.db2.gz AXDFUPQIJYDMIE-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP CSCC[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308005804 1111365844 /nfs/dbraw/zinc/36/58/44/1111365844.db2.gz AXDFUPQIJYDMIE-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001308040619 1111369838 /nfs/dbraw/zinc/36/98/38/1111369838.db2.gz MBEBAVCVFVYUKV-MRXNPFEDSA-N 2 1 313.420 3.364 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001308041445 1111370318 /nfs/dbraw/zinc/37/03/18/1111370318.db2.gz UFXHGHZYUXYGEO-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001308041445 1111370320 /nfs/dbraw/zinc/37/03/20/1111370320.db2.gz UFXHGHZYUXYGEO-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1Cl ZINC001308090272 1111376412 /nfs/dbraw/zinc/37/64/12/1111376412.db2.gz RYHYVZQSFKANRP-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1Cl ZINC001308090272 1111376415 /nfs/dbraw/zinc/37/64/15/1111376415.db2.gz RYHYVZQSFKANRP-AWEZNQCLSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@H](OCCC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001308187120 1111392828 /nfs/dbraw/zinc/39/28/28/1111392828.db2.gz RZIVBFPIRUTCOV-INIZCTEOSA-N 2 1 313.445 3.405 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CCCC1 ZINC001308365082 1111422476 /nfs/dbraw/zinc/42/24/76/1111422476.db2.gz AWCYLCCKEAHMMB-UHFFFAOYSA-N 2 1 322.880 3.487 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1C(F)(F)F ZINC001308553143 1111442902 /nfs/dbraw/zinc/44/29/02/1111442902.db2.gz HLNZFINTURDEQF-IJEWVQPXSA-N 2 1 312.379 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC001308595421 1111449273 /nfs/dbraw/zinc/44/92/73/1111449273.db2.gz YAEQLHFACWEGFF-LJQANCHMSA-N 2 1 301.478 3.295 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC001308619611 1111452201 /nfs/dbraw/zinc/45/22/01/1111452201.db2.gz QRVYKARWWPJTKN-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP CCc1ccccc1CN(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001308742870 1111468995 /nfs/dbraw/zinc/46/89/95/1111468995.db2.gz OEDKWJZGSKHRSQ-FQEVSTJZSA-N 2 1 317.521 3.097 20 0 DGADMP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001316733158 1111759177 /nfs/dbraw/zinc/75/91/77/1111759177.db2.gz MHVUYZAMDJVARL-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001316733158 1111759180 /nfs/dbraw/zinc/75/91/80/1111759180.db2.gz MHVUYZAMDJVARL-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001316733158 1111759183 /nfs/dbraw/zinc/75/91/83/1111759183.db2.gz MHVUYZAMDJVARL-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001316733158 1111759187 /nfs/dbraw/zinc/75/91/87/1111759187.db2.gz MHVUYZAMDJVARL-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316872335 1111786600 /nfs/dbraw/zinc/78/66/00/1111786600.db2.gz BMXJOTRORYFQNP-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000278479210 214180462 /nfs/dbraw/zinc/18/04/62/214180462.db2.gz KNRSKHPPTFDYMM-NXHRZFHOSA-N 2 1 304.503 3.240 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000278511264 214201339 /nfs/dbraw/zinc/20/13/39/214201339.db2.gz OXOFTBIGUGGOEU-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000278511264 214201341 /nfs/dbraw/zinc/20/13/41/214201341.db2.gz OXOFTBIGUGGOEU-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000181281257 199275262 /nfs/dbraw/zinc/27/52/62/199275262.db2.gz FZDMVIGQIMZILN-OCCSQVGLSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000278620585 214281427 /nfs/dbraw/zinc/28/14/27/214281427.db2.gz RNRDIZUGLZWZNN-GJZGRUSLSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000278620585 214281430 /nfs/dbraw/zinc/28/14/30/214281430.db2.gz RNRDIZUGLZWZNN-GJZGRUSLSA-N 2 1 310.869 3.492 20 0 DGADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000309667410 231101866 /nfs/dbraw/zinc/10/18/66/231101866.db2.gz ACXQVGNBHZDCGX-ROUUACIJSA-N 2 1 302.462 3.054 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000309981119 231111118 /nfs/dbraw/zinc/11/11/18/231111118.db2.gz UZMPSFJLSUMRPK-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000309981119 231111122 /nfs/dbraw/zinc/11/11/22/231111122.db2.gz UZMPSFJLSUMRPK-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000309981119 231111126 /nfs/dbraw/zinc/11/11/26/231111126.db2.gz UZMPSFJLSUMRPK-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000310496503 231114826 /nfs/dbraw/zinc/11/48/26/231114826.db2.gz GXTPUGLDZQQICT-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000310496503 231114829 /nfs/dbraw/zinc/11/48/29/231114829.db2.gz GXTPUGLDZQQICT-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000310496503 231114832 /nfs/dbraw/zinc/11/48/32/231114832.db2.gz GXTPUGLDZQQICT-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCc4cccnc4)C[C@@H]3C2)cc1 ZINC000310496505 231115600 /nfs/dbraw/zinc/11/56/00/231115600.db2.gz GXTPUGLDZQQICT-RTWAWAEBSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCc4cccnc4)C[C@@H]3C2)cc1 ZINC000310496505 231115603 /nfs/dbraw/zinc/11/56/03/231115603.db2.gz GXTPUGLDZQQICT-RTWAWAEBSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4cccnc4)C[C@@H]3C2)cc1 ZINC000310496505 231115606 /nfs/dbraw/zinc/11/56/06/231115606.db2.gz GXTPUGLDZQQICT-RTWAWAEBSA-N 2 1 321.468 3.078 20 0 DGADMP C[N@H+](Cc1csc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000082666841 185191946 /nfs/dbraw/zinc/19/19/46/185191946.db2.gz GLVIKZNOVTUJJF-NSHDSACASA-N 2 1 303.269 3.085 20 0 DGADMP C[N@@H+](Cc1csc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000082666841 185191947 /nfs/dbraw/zinc/19/19/47/185191947.db2.gz GLVIKZNOVTUJJF-NSHDSACASA-N 2 1 303.269 3.085 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000322946760 231213818 /nfs/dbraw/zinc/21/38/18/231213818.db2.gz RUAYXOUFEFHFPG-BMGDILEWSA-N 2 1 318.461 3.119 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(F)c1 ZINC000432416808 529597641 /nfs/dbraw/zinc/59/76/41/529597641.db2.gz SMAVDXRSEOANJX-QAPCUYQASA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(F)c1 ZINC000432416808 529597642 /nfs/dbraw/zinc/59/76/42/529597642.db2.gz SMAVDXRSEOANJX-QAPCUYQASA-N 2 1 308.441 3.367 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000268827035 282209368 /nfs/dbraw/zinc/20/93/68/282209368.db2.gz RBDROUXDGHVWNF-HNNXBMFYSA-N 2 1 320.234 3.231 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000268827037 282209710 /nfs/dbraw/zinc/20/97/10/282209710.db2.gz RBDROUXDGHVWNF-OAHLLOKOSA-N 2 1 320.234 3.231 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000090577749 185304579 /nfs/dbraw/zinc/30/45/79/185304579.db2.gz UPBCDGXMVZLNTN-FCEWJHQRSA-N 2 1 304.478 3.336 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442873001 529722495 /nfs/dbraw/zinc/72/24/95/529722495.db2.gz KKWNTOFHNHVJMU-IBGZPJMESA-N 2 1 317.521 3.316 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000272776420 210181371 /nfs/dbraw/zinc/18/13/71/210181371.db2.gz NRCYRGMWEVTZMF-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP C[N@@H+](CCCOCCc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000441356401 529894280 /nfs/dbraw/zinc/89/42/80/529894280.db2.gz PRFXUOUGJQSDBX-HXUWFJFHSA-N 2 1 318.505 3.442 20 0 DGADMP C[NH+](CCCOCCc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000441356401 529894281 /nfs/dbraw/zinc/89/42/81/529894281.db2.gz PRFXUOUGJQSDBX-HXUWFJFHSA-N 2 1 318.505 3.442 20 0 DGADMP C[NH+](CCCOCCc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000441356401 529894282 /nfs/dbraw/zinc/89/42/82/529894282.db2.gz PRFXUOUGJQSDBX-HXUWFJFHSA-N 2 1 318.505 3.442 20 0 DGADMP C[N@@H+](CCOc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759255 529926440 /nfs/dbraw/zinc/92/64/40/529926440.db2.gz CVWNPUFSYRBCGD-JWTNVVGKSA-N 2 1 310.441 3.433 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435446673 529989373 /nfs/dbraw/zinc/98/93/73/529989373.db2.gz LNBJJIOYNJDUGI-GFCCVEGCSA-N 2 1 302.340 3.001 20 0 DGADMP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)CC(C)(C)C[NH3+] ZINC000430564068 529989950 /nfs/dbraw/zinc/98/99/50/529989950.db2.gz AIQQJXPJXYFORZ-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCSCc3ccccc3)C2)C1 ZINC000293043471 530065117 /nfs/dbraw/zinc/06/51/17/530065117.db2.gz SOEBWPFEQTUCGD-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCSCc3ccccc3)C2)C1 ZINC000293043471 530065118 /nfs/dbraw/zinc/06/51/18/530065118.db2.gz SOEBWPFEQTUCGD-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCSCc3ccccc3)C2)C1 ZINC000293043471 530065119 /nfs/dbraw/zinc/06/51/19/530065119.db2.gz SOEBWPFEQTUCGD-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857453 530059760 /nfs/dbraw/zinc/05/97/60/530059760.db2.gz CFHCVQHROZOAAE-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857453 530059761 /nfs/dbraw/zinc/05/97/61/530059761.db2.gz CFHCVQHROZOAAE-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857453 530059762 /nfs/dbraw/zinc/05/97/62/530059762.db2.gz CFHCVQHROZOAAE-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857453 530059763 /nfs/dbraw/zinc/05/97/63/530059763.db2.gz CFHCVQHROZOAAE-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@@H+](CCNC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000103715680 432011601 /nfs/dbraw/zinc/01/16/01/432011601.db2.gz NYHDOPOXDFBXCA-UHFFFAOYSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCOC4CCC4)C3)C2)cc1 ZINC000286815745 219179883 /nfs/dbraw/zinc/17/98/83/219179883.db2.gz JZVJMQWZDIGULZ-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000286815745 219179886 /nfs/dbraw/zinc/17/98/86/219179886.db2.gz JZVJMQWZDIGULZ-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000286815745 219179888 /nfs/dbraw/zinc/17/98/88/219179888.db2.gz JZVJMQWZDIGULZ-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@H]1C[C@H](NCc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000130083884 432015002 /nfs/dbraw/zinc/01/50/02/432015002.db2.gz JXKUGXASJLBWHV-GXFFZTMASA-N 2 1 304.331 3.417 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000130083884 432015010 /nfs/dbraw/zinc/01/50/10/432015010.db2.gz JXKUGXASJLBWHV-GXFFZTMASA-N 2 1 304.331 3.417 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000130083884 432015013 /nfs/dbraw/zinc/01/50/13/432015013.db2.gz JXKUGXASJLBWHV-GXFFZTMASA-N 2 1 304.331 3.417 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272648307 210052121 /nfs/dbraw/zinc/05/21/21/210052121.db2.gz DYIKSJRWHKKZOP-IYWMVGAKSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](COc2ccccc2)C1 ZINC000272624293 210026281 /nfs/dbraw/zinc/02/62/81/210026281.db2.gz VGHYIFHSQQZWDC-ROUUACIJSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272624293 210026286 /nfs/dbraw/zinc/02/62/86/210026286.db2.gz VGHYIFHSQQZWDC-ROUUACIJSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272624293 210026290 /nfs/dbraw/zinc/02/62/90/210026290.db2.gz VGHYIFHSQQZWDC-ROUUACIJSA-N 2 1 302.462 3.262 20 0 DGADMP CC[C@H](O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000130279202 432019308 /nfs/dbraw/zinc/01/93/08/432019308.db2.gz ASBHKURUQKDPSK-IBGZPJMESA-N 2 1 315.461 3.245 20 0 DGADMP CC[C@H](O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000130279202 432019311 /nfs/dbraw/zinc/01/93/11/432019311.db2.gz ASBHKURUQKDPSK-IBGZPJMESA-N 2 1 315.461 3.245 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279785284 215142846 /nfs/dbraw/zinc/14/28/46/215142846.db2.gz LSYQBAYYYYQEST-UXPWSPDFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279785284 215142849 /nfs/dbraw/zinc/14/28/49/215142849.db2.gz LSYQBAYYYYQEST-UXPWSPDFSA-N 2 1 316.489 3.180 20 0 DGADMP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649401 545673000 /nfs/dbraw/zinc/67/30/00/545673000.db2.gz GXYHHIRKLOXUPT-BLLLJJGKSA-N 2 1 306.450 3.437 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925127 186142587 /nfs/dbraw/zinc/14/25/87/186142587.db2.gz OMWVKRQBXKCTKY-YLJYHZDGSA-N 3 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000163925127 186142589 /nfs/dbraw/zinc/14/25/89/186142589.db2.gz OMWVKRQBXKCTKY-YLJYHZDGSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000163925127 186142590 /nfs/dbraw/zinc/14/25/90/186142590.db2.gz OMWVKRQBXKCTKY-YLJYHZDGSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925127 186142592 /nfs/dbraw/zinc/14/25/92/186142592.db2.gz OMWVKRQBXKCTKY-YLJYHZDGSA-N 2 1 315.505 3.245 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC000066960609 432025206 /nfs/dbraw/zinc/02/52/06/432025206.db2.gz AQAFUCJNVWWVLI-AWEZNQCLSA-N 2 1 308.470 3.137 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC000066960609 432025209 /nfs/dbraw/zinc/02/52/09/432025209.db2.gz AQAFUCJNVWWVLI-AWEZNQCLSA-N 2 1 308.470 3.137 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280031338 215325627 /nfs/dbraw/zinc/32/56/27/215325627.db2.gz USEVLZIBKDGQPJ-HUUCEWRRSA-N 2 1 320.477 3.270 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000173335358 186177619 /nfs/dbraw/zinc/17/76/19/186177619.db2.gz DRNHDFVQXVTGRI-SFHVURJKSA-N 2 1 323.484 3.285 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194224799 186270536 /nfs/dbraw/zinc/27/05/36/186270536.db2.gz UQIJOGAJYADYSU-IBGZPJMESA-N 2 1 300.446 3.242 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(Cl)cnn1C ZINC000130486315 432025839 /nfs/dbraw/zinc/02/58/39/432025839.db2.gz BUVTYLKAUFVFCG-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c(Cl)cnn1C ZINC000130486315 432025837 /nfs/dbraw/zinc/02/58/37/432025837.db2.gz BUVTYLKAUFVFCG-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000268743353 186374767 /nfs/dbraw/zinc/37/47/67/186374767.db2.gz DSRFUARALHXFJT-OAHLLOKOSA-N 2 1 319.449 3.024 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000268743353 186374769 /nfs/dbraw/zinc/37/47/69/186374769.db2.gz DSRFUARALHXFJT-OAHLLOKOSA-N 2 1 319.449 3.024 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268746130 186376415 /nfs/dbraw/zinc/37/64/15/186376415.db2.gz VCPIJPRACVNZGF-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268746130 186376416 /nfs/dbraw/zinc/37/64/16/186376416.db2.gz VCPIJPRACVNZGF-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268746130 186376418 /nfs/dbraw/zinc/37/64/18/186376418.db2.gz VCPIJPRACVNZGF-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OCCOC)cc1 ZINC000268749438 186377912 /nfs/dbraw/zinc/37/79/12/186377912.db2.gz UCNFHLRKUGFADA-MRXNPFEDSA-N 2 1 308.466 3.094 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000268756477 186380473 /nfs/dbraw/zinc/38/04/73/186380473.db2.gz XVDSNWODEBGRMH-AWEZNQCLSA-N 2 1 324.465 3.095 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280086813 215366755 /nfs/dbraw/zinc/36/67/55/215366755.db2.gz MBVDNYGMGFHDNG-NSHDSACASA-N 2 1 323.238 3.090 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000172574336 198118463 /nfs/dbraw/zinc/11/84/63/198118463.db2.gz BHJCTNVBBDKWAZ-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000172574336 198118464 /nfs/dbraw/zinc/11/84/64/198118464.db2.gz BHJCTNVBBDKWAZ-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574336 198118465 /nfs/dbraw/zinc/11/84/65/198118465.db2.gz BHJCTNVBBDKWAZ-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574336 198118466 /nfs/dbraw/zinc/11/84/66/198118466.db2.gz BHJCTNVBBDKWAZ-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000277200336 213361335 /nfs/dbraw/zinc/36/13/35/213361335.db2.gz PNGMWUNMYVFQSD-IBGZPJMESA-N 2 1 311.429 3.093 20 0 DGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000173391607 198210101 /nfs/dbraw/zinc/21/01/01/198210101.db2.gz AXNGDFKOMZAYCF-SFHVURJKSA-N 2 1 323.912 3.408 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000107371407 432031049 /nfs/dbraw/zinc/03/10/49/432031049.db2.gz DOIWMMBWASIBOH-MAUKXSAKSA-N 2 1 321.896 3.113 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000107368147 432031271 /nfs/dbraw/zinc/03/12/71/432031271.db2.gz SXCHGWHQRMERKB-MAUKXSAKSA-N 2 1 321.896 3.113 20 0 DGADMP CSc1ccc(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000173791963 198252174 /nfs/dbraw/zinc/25/21/74/198252174.db2.gz UMDSYKYCFQRSSK-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CSc1ccc(OCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000173791963 198252175 /nfs/dbraw/zinc/25/21/75/198252175.db2.gz UMDSYKYCFQRSSK-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CSc1ccc(OCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000173791963 198252177 /nfs/dbraw/zinc/25/21/77/198252177.db2.gz UMDSYKYCFQRSSK-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131580447 432042748 /nfs/dbraw/zinc/04/27/48/432042748.db2.gz MCVATTFAOFAFRK-VXGBXAGGSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131580447 432042752 /nfs/dbraw/zinc/04/27/52/432042752.db2.gz MCVATTFAOFAFRK-VXGBXAGGSA-N 2 1 305.809 3.164 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000236812007 202021439 /nfs/dbraw/zinc/02/14/39/202021439.db2.gz UCVZWFYAVAZNTH-GOSISDBHSA-N 2 1 323.440 3.441 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000236812007 202021443 /nfs/dbraw/zinc/02/14/43/202021443.db2.gz UCVZWFYAVAZNTH-GOSISDBHSA-N 2 1 323.440 3.441 20 0 DGADMP C[NH+]1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000177337758 198705907 /nfs/dbraw/zinc/70/59/07/198705907.db2.gz ZZCJAPILQOBZME-LJQANCHMSA-N 2 1 302.462 3.155 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1C)C(C)C ZINC000165637666 432056301 /nfs/dbraw/zinc/05/63/01/432056301.db2.gz HACUTBZBADZRCD-GOSISDBHSA-N 2 1 315.461 3.447 20 0 DGADMP CCC[N@@H+](CC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000434987909 283189115 /nfs/dbraw/zinc/18/91/15/283189115.db2.gz PXPPQAVFAVKFQS-UHFFFAOYSA-N 2 1 303.494 3.449 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133311205 432060332 /nfs/dbraw/zinc/06/03/32/432060332.db2.gz DYJKSFZDFJSNSY-XIRDDKMYSA-N 2 1 318.461 3.229 20 0 DGADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000276888171 213156093 /nfs/dbraw/zinc/15/60/93/213156093.db2.gz LTBILNFKUDNSSJ-QRQLOZEOSA-N 2 1 318.505 3.282 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000276884579 213155774 /nfs/dbraw/zinc/15/57/74/213155774.db2.gz LIGODEBYNLKQQN-QRQLOZEOSA-N 2 1 318.505 3.425 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000276884579 213155777 /nfs/dbraw/zinc/15/57/77/213155777.db2.gz LIGODEBYNLKQQN-QRQLOZEOSA-N 2 1 318.505 3.425 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCCc3ccccc32)CCOCC1 ZINC000168333436 432069288 /nfs/dbraw/zinc/06/92/88/432069288.db2.gz YQPMFWIYNNMTMB-GOSISDBHSA-N 2 1 302.462 3.155 20 0 DGADMP COCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179239437 199003096 /nfs/dbraw/zinc/00/30/96/199003096.db2.gz QDKIQKMNDLXVMR-UYAOXDASSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000179239437 199003098 /nfs/dbraw/zinc/00/30/98/199003098.db2.gz QDKIQKMNDLXVMR-UYAOXDASSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000179239437 199003100 /nfs/dbraw/zinc/00/31/00/199003100.db2.gz QDKIQKMNDLXVMR-UYAOXDASSA-N 2 1 314.473 3.282 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276738524 213078591 /nfs/dbraw/zinc/07/85/91/213078591.db2.gz YURUUHFYFWVCNL-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000237390832 202253227 /nfs/dbraw/zinc/25/32/27/202253227.db2.gz HNWGYMZEMUJMKB-HNNXBMFYSA-N 2 1 323.444 3.316 20 0 DGADMP c1[nH]nc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000180781614 199208305 /nfs/dbraw/zinc/20/83/05/199208305.db2.gz JDZSUNSPLGPOBE-APWZRJJASA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc12 ZINC000180781614 199208306 /nfs/dbraw/zinc/20/83/06/199208306.db2.gz JDZSUNSPLGPOBE-APWZRJJASA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc12 ZINC000180781614 199208309 /nfs/dbraw/zinc/20/83/09/199208309.db2.gz JDZSUNSPLGPOBE-APWZRJJASA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415052242 237035762 /nfs/dbraw/zinc/03/57/62/237035762.db2.gz MWMCJAAKMXKEBJ-FUHWJXTLSA-N 2 1 310.445 3.041 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415052242 237035771 /nfs/dbraw/zinc/03/57/71/237035771.db2.gz MWMCJAAKMXKEBJ-FUHWJXTLSA-N 2 1 310.445 3.041 20 0 DGADMP Clc1sc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000415069594 237049103 /nfs/dbraw/zinc/04/91/03/237049103.db2.gz PEJANRQWTIZLGV-UHFFFAOYSA-N 2 1 323.687 3.396 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415037705 237023857 /nfs/dbraw/zinc/02/38/57/237023857.db2.gz HDZLZYYCLWTCMJ-NVXWUHKLSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415037705 237023865 /nfs/dbraw/zinc/02/38/65/237023865.db2.gz HDZLZYYCLWTCMJ-NVXWUHKLSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415037708 237023954 /nfs/dbraw/zinc/02/39/54/237023954.db2.gz HDZLZYYCLWTCMJ-WBVHZDCISA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415037708 237023965 /nfs/dbraw/zinc/02/39/65/237023965.db2.gz HDZLZYYCLWTCMJ-WBVHZDCISA-N 2 1 306.425 3.188 20 0 DGADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000415104238 237081538 /nfs/dbraw/zinc/08/15/38/237081538.db2.gz KWTQSFHFIMFLDQ-HZPDHXFCSA-N 2 1 301.459 3.343 20 0 DGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415077666 237061225 /nfs/dbraw/zinc/06/12/25/237061225.db2.gz HRFAJZWPEZTUSF-OWCLPIDISA-N 2 1 308.853 3.359 20 0 DGADMP COCCOc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415086353 237067721 /nfs/dbraw/zinc/06/77/21/237067721.db2.gz UKKZWGSMFIAWRF-WMZOPIPTSA-N 2 1 320.477 3.112 20 0 DGADMP COCCOc1ccccc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415086344 237068240 /nfs/dbraw/zinc/06/82/40/237068240.db2.gz UKKZWGSMFIAWRF-AEFFLSMTSA-N 2 1 320.477 3.112 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415129828 237099997 /nfs/dbraw/zinc/09/99/97/237099997.db2.gz PUVHISIAJQWASE-JQWIXIFHSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415129828 237100006 /nfs/dbraw/zinc/10/00/06/237100006.db2.gz PUVHISIAJQWASE-JQWIXIFHSA-N 2 1 318.795 3.358 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000415113880 237086544 /nfs/dbraw/zinc/08/65/44/237086544.db2.gz SBQXHXIZKHFVMT-HNNXBMFYSA-N 2 1 320.433 3.104 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000415113880 237086550 /nfs/dbraw/zinc/08/65/50/237086550.db2.gz SBQXHXIZKHFVMT-HNNXBMFYSA-N 2 1 320.433 3.104 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000278584546 299292700 /nfs/dbraw/zinc/29/27/00/299292700.db2.gz QGDITXYQFIMJRF-KURKYZTESA-N 2 1 304.478 3.269 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000278584546 299292704 /nfs/dbraw/zinc/29/27/04/299292704.db2.gz QGDITXYQFIMJRF-KURKYZTESA-N 2 1 304.478 3.269 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cc2ccccc2F)cn1 ZINC000187803956 200159300 /nfs/dbraw/zinc/15/93/00/200159300.db2.gz WCFCUEVMNKANDQ-CQSZACIVSA-N 2 1 324.403 3.436 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nccnc1C ZINC000187713952 200148405 /nfs/dbraw/zinc/14/84/05/200148405.db2.gz ASXYADREZSEAIZ-INIZCTEOSA-N 2 1 312.461 3.478 20 0 DGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000187944917 200180433 /nfs/dbraw/zinc/18/04/33/200180433.db2.gz NHPJDWRUPNDXLJ-CRAIPNDOSA-N 2 1 324.896 3.270 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000237529458 202272502 /nfs/dbraw/zinc/27/25/02/202272502.db2.gz AANUXDKDOZUTNL-GFCCVEGCSA-N 2 1 315.446 3.069 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000281129934 216099444 /nfs/dbraw/zinc/09/94/44/216099444.db2.gz CWOBHBPKPGWUNK-UHFFFAOYSA-N 2 1 316.424 3.134 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000281129934 216099447 /nfs/dbraw/zinc/09/94/47/216099447.db2.gz CWOBHBPKPGWUNK-UHFFFAOYSA-N 2 1 316.424 3.134 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281120230 216091798 /nfs/dbraw/zinc/09/17/98/216091798.db2.gz XNFFOXVXNFGHMT-BEEJXANESA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000188558422 200265609 /nfs/dbraw/zinc/26/56/09/200265609.db2.gz VCTWIEFBCUBHEF-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000188558422 200265611 /nfs/dbraw/zinc/26/56/11/200265611.db2.gz VCTWIEFBCUBHEF-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000188558422 200265613 /nfs/dbraw/zinc/26/56/13/200265613.db2.gz VCTWIEFBCUBHEF-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@@H+]1Cc1ccccc1 ZINC000188581970 200271009 /nfs/dbraw/zinc/27/10/09/200271009.db2.gz OIBYGRFJDPLJKB-WDSOQIARSA-N 2 1 300.446 3.322 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@H+]1Cc1ccccc1 ZINC000188581970 200271011 /nfs/dbraw/zinc/27/10/11/200271011.db2.gz OIBYGRFJDPLJKB-WDSOQIARSA-N 2 1 300.446 3.322 20 0 DGADMP CCOC1CC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000188786386 200303388 /nfs/dbraw/zinc/30/33/88/200303388.db2.gz XXTWRPNFDTZNLL-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422959373 237813964 /nfs/dbraw/zinc/81/39/64/237813964.db2.gz RUABJLIMHFMVFY-KBPBESRZSA-N 2 1 315.230 3.338 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281151436 216113167 /nfs/dbraw/zinc/11/31/67/216113167.db2.gz GOCUWBHZGJODRX-WMZOPIPTSA-N 2 1 301.478 3.490 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869275 432088460 /nfs/dbraw/zinc/08/84/60/432088460.db2.gz VLTRWGZCUAGBKR-XLIONFOSSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869275 432088463 /nfs/dbraw/zinc/08/84/63/432088463.db2.gz VLTRWGZCUAGBKR-XLIONFOSSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869275 432088465 /nfs/dbraw/zinc/08/84/65/432088465.db2.gz VLTRWGZCUAGBKR-XLIONFOSSA-N 2 1 313.489 3.201 20 0 DGADMP Cc1nc(C(C)C)oc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000428246786 238012942 /nfs/dbraw/zinc/01/29/42/238012942.db2.gz IFRYSJLQMBFHCX-UHFFFAOYSA-N 2 1 316.449 3.295 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430021020 238064561 /nfs/dbraw/zinc/06/45/61/238064561.db2.gz IHVFOTXXPRKICZ-UHFFFAOYSA-N 2 1 319.836 3.424 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000430035042 238064978 /nfs/dbraw/zinc/06/49/78/238064978.db2.gz LIZSOQZRNSMWGH-JKSUJKDBSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000430035042 238064979 /nfs/dbraw/zinc/06/49/79/238064979.db2.gz LIZSOQZRNSMWGH-JKSUJKDBSA-N 2 1 324.896 3.362 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000281260580 216193838 /nfs/dbraw/zinc/19/38/38/216193838.db2.gz WMOQKGUCMHFRTL-KSSFIOAISA-N 2 1 313.445 3.382 20 0 DGADMP C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430938369 238090551 /nfs/dbraw/zinc/09/05/51/238090551.db2.gz BNUAYOFGIQPLLF-WFASDCNBSA-N 2 1 316.367 3.143 20 0 DGADMP C[C@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000430949871 238090981 /nfs/dbraw/zinc/09/09/81/238090981.db2.gz PDDHEVPENJSTPM-YJBOKZPZSA-N 2 1 304.478 3.422 20 0 DGADMP Fc1ccc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134928037 432091073 /nfs/dbraw/zinc/09/10/73/432091073.db2.gz ZREBRJXCSORZJC-BEFAXECRSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134928037 432091076 /nfs/dbraw/zinc/09/10/76/432091076.db2.gz ZREBRJXCSORZJC-BEFAXECRSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134928037 432091088 /nfs/dbraw/zinc/09/10/88/432091088.db2.gz ZREBRJXCSORZJC-BEFAXECRSA-N 2 1 320.427 3.456 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000433754121 238165772 /nfs/dbraw/zinc/16/57/72/238165772.db2.gz RBIZUANRMBKWFG-MRXNPFEDSA-N 2 1 321.428 3.085 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000271869195 209282594 /nfs/dbraw/zinc/28/25/94/209282594.db2.gz MFKVRSFDSHROBS-UHFFFAOYSA-N 2 1 318.461 3.216 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000442923652 239152623 /nfs/dbraw/zinc/15/26/23/239152623.db2.gz QXXZWODYSOLFQP-HNNXBMFYSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000442922251 239152647 /nfs/dbraw/zinc/15/26/47/239152647.db2.gz KBRMRILFDZMJJP-AWEZNQCLSA-N 2 1 318.852 3.087 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195440641 201390249 /nfs/dbraw/zinc/39/02/49/201390249.db2.gz FVKKARQTGLEWMC-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP Cc1cc(C[NH2+]CCC[NH+]2CCCC2)sc1Br ZINC000135116740 432100487 /nfs/dbraw/zinc/10/04/87/432100487.db2.gz RMNKPUTWGUBIMK-UHFFFAOYSA-N 2 1 317.296 3.395 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)cn2)CC1 ZINC000271817551 209240746 /nfs/dbraw/zinc/24/07/46/209240746.db2.gz OKADGBALMGKLQC-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275445783 212338723 /nfs/dbraw/zinc/33/87/23/212338723.db2.gz GEQBPSWLPWDDBY-JKSUJKDBSA-N 2 1 319.399 3.302 20 0 DGADMP c1cc2c(cc1C[NH2+]CCC[NH+]1CCCCC1)OCCCCO2 ZINC000449067414 240000229 /nfs/dbraw/zinc/00/02/29/240000229.db2.gz LFSBEHFXQAUORS-UHFFFAOYSA-N 2 1 318.461 3.204 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449070490 240001698 /nfs/dbraw/zinc/00/16/98/240001698.db2.gz CWLGMNZOXKXVIS-PMACEKPBSA-N 2 1 316.489 3.241 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cccc12 ZINC000449337920 240139587 /nfs/dbraw/zinc/13/95/87/240139587.db2.gz DHZSJRTWYGITPP-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cccc12 ZINC000449337920 240139592 /nfs/dbraw/zinc/13/95/92/240139592.db2.gz DHZSJRTWYGITPP-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cccc12 ZINC000449337920 240139596 /nfs/dbraw/zinc/13/95/96/240139596.db2.gz DHZSJRTWYGITPP-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP CC[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000449479982 240232507 /nfs/dbraw/zinc/23/25/07/240232507.db2.gz WZBGAMMWDXPROC-IBGZPJMESA-N 2 1 322.468 3.237 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560735 240290607 /nfs/dbraw/zinc/29/06/07/240290607.db2.gz OZTFSTOARARUPA-VUCRHFMTSA-N 2 1 322.493 3.103 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000449618859 240324745 /nfs/dbraw/zinc/32/47/45/240324745.db2.gz MDIXOGVOROKCSH-KLICCBINSA-N 2 1 302.462 3.261 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449727966 240383572 /nfs/dbraw/zinc/38/35/72/240383572.db2.gz SMAGJKYXQQJQAP-FUHWJXTLSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091346691 193044757 /nfs/dbraw/zinc/04/47/57/193044757.db2.gz STDODFAJMZYTMG-AWEZNQCLSA-N 2 1 311.433 3.209 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091869248 193119976 /nfs/dbraw/zinc/11/99/76/193119976.db2.gz LMLNLVPWOCGMAB-GOSISDBHSA-N 2 1 320.452 3.291 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180980813 432109502 /nfs/dbraw/zinc/10/95/02/432109502.db2.gz OFDMLYLVYSEZEZ-OQUILHJVSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180980813 432109505 /nfs/dbraw/zinc/10/95/05/432109505.db2.gz OFDMLYLVYSEZEZ-OQUILHJVSA-N 2 1 310.869 3.488 20 0 DGADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000093597423 284012945 /nfs/dbraw/zinc/01/29/45/284012945.db2.gz SQLIHCZWPUGITE-QGZVFWFLSA-N 2 1 314.473 3.318 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000093597423 284012954 /nfs/dbraw/zinc/01/29/54/284012954.db2.gz SQLIHCZWPUGITE-QGZVFWFLSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000246295059 432117210 /nfs/dbraw/zinc/11/72/10/432117210.db2.gz DPPXLDAMGGMVQO-WSTZPKSXSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000246295059 432117215 /nfs/dbraw/zinc/11/72/15/432117215.db2.gz DPPXLDAMGGMVQO-WSTZPKSXSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000246295059 432117217 /nfs/dbraw/zinc/11/72/17/432117217.db2.gz DPPXLDAMGGMVQO-WSTZPKSXSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000246295059 432117220 /nfs/dbraw/zinc/11/72/20/432117220.db2.gz DPPXLDAMGGMVQO-WSTZPKSXSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCOC1 ZINC000164957651 296129160 /nfs/dbraw/zinc/12/91/60/296129160.db2.gz FWDYSHBGEJTUDF-AESZEHBQSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCOC1 ZINC000164957651 296129162 /nfs/dbraw/zinc/12/91/62/296129162.db2.gz FWDYSHBGEJTUDF-AESZEHBQSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261786115 203117186 /nfs/dbraw/zinc/11/71/86/203117186.db2.gz FWZAADQIORMCST-DYVFJYSZSA-N 2 1 308.853 3.101 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000469080509 244083438 /nfs/dbraw/zinc/08/34/38/244083438.db2.gz PZATWEPYTBJLMQ-CEXWTWQISA-N 2 1 309.542 3.207 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)s2)cc1 ZINC000469856734 244128928 /nfs/dbraw/zinc/12/89/28/244128928.db2.gz PHOHHVBUISGMGR-KGLIPLIRSA-N 2 1 301.459 3.288 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000470174304 244152412 /nfs/dbraw/zinc/15/24/12/244152412.db2.gz JUUUWWLFSBZZKY-GOEBONIOSA-N 2 1 318.461 3.013 20 0 DGADMP C[N@H+](Cc1cccc2c1OC(C)(C)C2)CC1CC[NH+](C)CC1 ZINC000093088879 193201436 /nfs/dbraw/zinc/20/14/36/193201436.db2.gz MRVBLYYLSAJDEE-UHFFFAOYSA-N 2 1 302.462 3.174 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088938 193201481 /nfs/dbraw/zinc/20/14/81/193201481.db2.gz SIBVHQLFCMNCTJ-UHFFFAOYSA-N 2 1 312.461 3.159 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)sc2C1 ZINC000093088974 193201488 /nfs/dbraw/zinc/20/14/88/193201488.db2.gz JQRIJPDBEGAXQS-CYBMUJFWSA-N 2 1 307.507 3.042 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000471838407 244257474 /nfs/dbraw/zinc/25/74/74/244257474.db2.gz LYDGEVSTSNTVHK-UXHICEINSA-N 2 1 316.489 3.085 20 0 DGADMP CCOc1cccc2cc([C@H](C)[NH2+]CCc3c[nH+]cn3C)oc21 ZINC000471754880 244242660 /nfs/dbraw/zinc/24/26/60/244242660.db2.gz DVWLJWTYACHFJL-ZDUSSCGKSA-N 2 1 313.401 3.458 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000472277319 244294123 /nfs/dbraw/zinc/29/41/23/244294123.db2.gz MXBJQLWTWOGVBD-IEBWSBKVSA-N 2 1 304.478 3.223 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000472262029 244294141 /nfs/dbraw/zinc/29/41/41/244294141.db2.gz FZJKIEXUZJMYKJ-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000119162932 284136363 /nfs/dbraw/zinc/13/63/63/284136363.db2.gz ONKPKYWFWOKJIK-TZMCWYRMSA-N 2 1 316.367 3.405 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000119162932 284136369 /nfs/dbraw/zinc/13/63/69/284136369.db2.gz ONKPKYWFWOKJIK-TZMCWYRMSA-N 2 1 316.367 3.405 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000119162932 284136372 /nfs/dbraw/zinc/13/63/72/284136372.db2.gz ONKPKYWFWOKJIK-TZMCWYRMSA-N 2 1 316.367 3.405 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000472350430 244301452 /nfs/dbraw/zinc/30/14/52/244301452.db2.gz QFFUZTGMXWKACH-VQTJNVASSA-N 2 1 309.457 3.254 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2cccc(OC)c2)CC1 ZINC000119604002 284146650 /nfs/dbraw/zinc/14/66/50/284146650.db2.gz DWJQYMHTPRNAGA-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336956 193232810 /nfs/dbraw/zinc/23/28/10/193232810.db2.gz ZDMISFOGGNLTDA-IBGZPJMESA-N 2 1 310.441 3.346 20 0 DGADMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336956 193232812 /nfs/dbraw/zinc/23/28/12/193232812.db2.gz ZDMISFOGGNLTDA-IBGZPJMESA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336956 193232813 /nfs/dbraw/zinc/23/28/13/193232813.db2.gz ZDMISFOGGNLTDA-IBGZPJMESA-N 2 1 310.441 3.346 20 0 DGADMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336956 193232814 /nfs/dbraw/zinc/23/28/14/193232814.db2.gz ZDMISFOGGNLTDA-IBGZPJMESA-N 2 1 310.441 3.346 20 0 DGADMP FC(F)COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597206 193272375 /nfs/dbraw/zinc/27/23/75/193272375.db2.gz BJMKGRJGRLBESJ-MRXNPFEDSA-N 2 1 324.415 3.248 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597206 193272377 /nfs/dbraw/zinc/27/23/77/193272377.db2.gz BJMKGRJGRLBESJ-MRXNPFEDSA-N 2 1 324.415 3.248 20 0 DGADMP Fc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093597018 193272577 /nfs/dbraw/zinc/27/25/77/193272577.db2.gz AOZNQZBXQNWMOD-AWEZNQCLSA-N 2 1 302.393 3.490 20 0 DGADMP Fc1ccc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093597018 193272579 /nfs/dbraw/zinc/27/25/79/193272579.db2.gz AOZNQZBXQNWMOD-AWEZNQCLSA-N 2 1 302.393 3.490 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597557 193273203 /nfs/dbraw/zinc/27/32/03/193273203.db2.gz MBKDUKRMZMLBBK-KRWDZBQOSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597557 193273205 /nfs/dbraw/zinc/27/32/05/193273205.db2.gz MBKDUKRMZMLBBK-KRWDZBQOSA-N 2 1 324.472 3.303 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1C ZINC000246340391 432121324 /nfs/dbraw/zinc/12/13/24/432121324.db2.gz GWIYKNGTMMHJPG-KURKYZTESA-N 2 1 304.478 3.472 20 0 DGADMP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484910308 244910527 /nfs/dbraw/zinc/91/05/27/244910527.db2.gz XOHBFCHZXYIJKW-KURKYZTESA-N 2 1 322.880 3.019 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC000122885590 284228093 /nfs/dbraw/zinc/22/80/93/284228093.db2.gz QPZBCTPIFOXONF-PBFPGSCMSA-N 2 1 310.869 3.209 20 0 DGADMP Cc1cnc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000122905762 284228527 /nfs/dbraw/zinc/22/85/27/284228527.db2.gz JESUMPVNCBYQOL-CQSZACIVSA-N 2 1 319.474 3.243 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000488122417 245150962 /nfs/dbraw/zinc/15/09/62/245150962.db2.gz VEZYHECADAKHFF-XMTFNYHQSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000488122417 245150965 /nfs/dbraw/zinc/15/09/65/245150965.db2.gz VEZYHECADAKHFF-XMTFNYHQSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000488122414 245149505 /nfs/dbraw/zinc/14/95/05/245149505.db2.gz VEZYHECADAKHFF-XDNAFOTISA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000488122414 245149507 /nfs/dbraw/zinc/14/95/07/245149507.db2.gz VEZYHECADAKHFF-XDNAFOTISA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318704 245176538 /nfs/dbraw/zinc/17/65/38/245176538.db2.gz XVHIFVAGVFJNSU-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318704 245176541 /nfs/dbraw/zinc/17/65/41/245176541.db2.gz XVHIFVAGVFJNSU-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318704 245176544 /nfs/dbraw/zinc/17/65/44/245176544.db2.gz XVHIFVAGVFJNSU-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318704 245176547 /nfs/dbraw/zinc/17/65/47/245176547.db2.gz XVHIFVAGVFJNSU-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000488755611 245230514 /nfs/dbraw/zinc/23/05/14/245230514.db2.gz YCMQWMZIESOVHR-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000488755611 245230518 /nfs/dbraw/zinc/23/05/18/245230518.db2.gz YCMQWMZIESOVHR-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000488755611 245230523 /nfs/dbraw/zinc/23/05/23/245230523.db2.gz YCMQWMZIESOVHR-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000488755611 245230526 /nfs/dbraw/zinc/23/05/26/245230526.db2.gz YCMQWMZIESOVHR-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282462640 217012976 /nfs/dbraw/zinc/01/29/76/217012976.db2.gz OQPRGLPYVKOMFP-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282462640 217012979 /nfs/dbraw/zinc/01/29/79/217012979.db2.gz OQPRGLPYVKOMFP-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccccc2Cl)CC1 ZINC000264735885 204112591 /nfs/dbraw/zinc/11/25/91/204112591.db2.gz SJRSAVGCXCRYDM-KRWDZBQOSA-N 2 1 310.869 3.180 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccccc2Cl)CC1 ZINC000264735885 204112595 /nfs/dbraw/zinc/11/25/95/204112595.db2.gz SJRSAVGCXCRYDM-KRWDZBQOSA-N 2 1 310.869 3.180 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125746405 284283156 /nfs/dbraw/zinc/28/31/56/284283156.db2.gz ANWFMKNIENLFAG-JKSUJKDBSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000125746405 284283160 /nfs/dbraw/zinc/28/31/60/284283160.db2.gz ANWFMKNIENLFAG-JKSUJKDBSA-N 2 1 320.477 3.475 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000282756360 217228470 /nfs/dbraw/zinc/22/84/70/217228470.db2.gz VMDVQWZPXWBXRG-CRAIPNDOSA-N 2 1 324.896 3.098 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000266144739 205134554 /nfs/dbraw/zinc/13/45/54/205134554.db2.gz ILZNMCRIWJXRDD-HOCLYGCPSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000266144739 205134556 /nfs/dbraw/zinc/13/45/56/205134556.db2.gz ILZNMCRIWJXRDD-HOCLYGCPSA-N 2 1 306.450 3.056 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000268734924 432127832 /nfs/dbraw/zinc/12/78/32/432127832.db2.gz VIHVTUIWUOMZLK-GFCCVEGCSA-N 2 1 304.356 3.230 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268764408 432128093 /nfs/dbraw/zinc/12/80/93/432128093.db2.gz MXZPVSQQNAKRJJ-QGZVFWFLSA-N 2 1 314.477 3.312 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268764408 432128096 /nfs/dbraw/zinc/12/80/96/432128096.db2.gz MXZPVSQQNAKRJJ-QGZVFWFLSA-N 2 1 314.477 3.312 20 0 DGADMP CCCc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128370331 284373480 /nfs/dbraw/zinc/37/34/80/284373480.db2.gz XGJZTKCOVYKDFT-GOSISDBHSA-N 2 1 317.521 3.317 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000282934070 217336025 /nfs/dbraw/zinc/33/60/25/217336025.db2.gz IFSAUUCYGPKCJP-UHFFFAOYSA-N 2 1 315.465 3.153 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2nccs2)CCCC1 ZINC000129112701 284398129 /nfs/dbraw/zinc/39/81/29/284398129.db2.gz DUOKPLIIPCLIHU-UHFFFAOYSA-N 2 1 304.463 3.487 20 0 DGADMP CCC(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000190211243 432130918 /nfs/dbraw/zinc/13/09/18/432130918.db2.gz VBONEESHHBQOFA-UHFFFAOYSA-N 2 1 302.462 3.200 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000020306322 182205143 /nfs/dbraw/zinc/20/51/43/182205143.db2.gz MQFQBDVNEIVKCT-UHFFFAOYSA-N 2 1 317.296 3.473 20 0 DGADMP C[N@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493812972 246075733 /nfs/dbraw/zinc/07/57/33/246075733.db2.gz DZZVEZGQPXDJSW-FGTMMUONSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493812972 246075738 /nfs/dbraw/zinc/07/57/38/246075738.db2.gz DZZVEZGQPXDJSW-FGTMMUONSA-N 2 1 306.494 3.188 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cscc2C)[C@H](C)C1 ZINC000494449598 246149358 /nfs/dbraw/zinc/14/93/58/246149358.db2.gz BWMXOCFGKWISIN-PBHICJAKSA-N 2 1 310.507 3.283 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(C)c2C)[C@@H](C)C1 ZINC000494509771 246157557 /nfs/dbraw/zinc/15/75/57/246157557.db2.gz UHTYULPSZVJLES-WMZOPIPTSA-N 2 1 304.478 3.392 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494579255 246166921 /nfs/dbraw/zinc/16/69/21/246166921.db2.gz OBDCJVOCPCIZRD-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340290 296232831 /nfs/dbraw/zinc/23/28/31/296232831.db2.gz ZXATWGHCVGBCAH-ZFWWWQNUSA-N 2 1 308.853 3.088 20 0 DGADMP CCC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000190270213 432138913 /nfs/dbraw/zinc/13/89/13/432138913.db2.gz WGTJZNZPYCMJDF-SJLPKXTDSA-N 2 1 302.462 3.341 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246519811 432140118 /nfs/dbraw/zinc/14/01/18/432140118.db2.gz UPBCDGXMVZLNTN-GPMSIDNRSA-N 2 1 304.478 3.336 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246547004 432142000 /nfs/dbraw/zinc/14/20/00/432142000.db2.gz WFWNLBGFYGWMOW-APWZRJJASA-N 2 1 304.478 3.338 20 0 DGADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)O[C@@H]1CCCCO1 ZINC000181681958 432142049 /nfs/dbraw/zinc/14/20/49/432142049.db2.gz WWEKUYNCJMPCGL-RBUKOAKNSA-N 2 1 324.509 3.118 20 0 DGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)O[C@@H]1CCCCO1 ZINC000181681958 432142052 /nfs/dbraw/zinc/14/20/52/432142052.db2.gz WWEKUYNCJMPCGL-RBUKOAKNSA-N 2 1 324.509 3.118 20 0 DGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000185444814 296244342 /nfs/dbraw/zinc/24/43/42/296244342.db2.gz IIIGHUQDSMFGID-KRWDZBQOSA-N 2 1 321.534 3.159 20 0 DGADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1Br ZINC000271866060 209281105 /nfs/dbraw/zinc/28/11/05/209281105.db2.gz WEOVLMWATMPJMN-UHFFFAOYSA-N 2 1 309.251 3.109 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273999811 211257780 /nfs/dbraw/zinc/25/77/80/211257780.db2.gz MYZDNIOXTXXVAC-NAODFFGXSA-N 2 1 316.489 3.135 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273999804 211257151 /nfs/dbraw/zinc/25/71/51/211257151.db2.gz MYZDNIOXTXXVAC-LJZGOAPGSA-N 2 1 316.489 3.135 20 0 DGADMP CCCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000105442877 194104406 /nfs/dbraw/zinc/10/44/06/194104406.db2.gz ZZEVTNLYIQPAHR-OAHLLOKOSA-N 2 1 301.434 3.406 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000105457191 194104493 /nfs/dbraw/zinc/10/44/93/194104493.db2.gz WAGRHSNAVSWPBM-HNNXBMFYSA-N 2 1 316.449 3.188 20 0 DGADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163787 194189136 /nfs/dbraw/zinc/18/91/36/194189136.db2.gz ZRGFTFYXHGHAGU-WMZOPIPTSA-N 2 1 319.493 3.270 20 0 DGADMP C[C@@H](O)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285146372 218308391 /nfs/dbraw/zinc/30/83/91/218308391.db2.gz MBIFJTVZPHADLG-IPJUCJBFSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3(C)COC3)cc2)C1 ZINC000285582015 218521288 /nfs/dbraw/zinc/52/12/88/218521288.db2.gz WZMNDAWAUHGKSP-MRXNPFEDSA-N 2 1 302.462 3.045 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000268857690 207026620 /nfs/dbraw/zinc/02/66/20/207026620.db2.gz CXMMLQJTJBEBKD-RGCFKVTRSA-N 2 1 318.505 3.336 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415125125 296314178 /nfs/dbraw/zinc/31/41/78/296314178.db2.gz RVSUGRHHMMTKBL-MSOLQXFVSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H]1CCC[NH2+]C1 ZINC000415125125 296314180 /nfs/dbraw/zinc/31/41/80/296314180.db2.gz RVSUGRHHMMTKBL-MSOLQXFVSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H]1CCC[NH2+]C1 ZINC000415125125 296314181 /nfs/dbraw/zinc/31/41/81/296314181.db2.gz RVSUGRHHMMTKBL-MSOLQXFVSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000268910666 207076631 /nfs/dbraw/zinc/07/66/31/207076631.db2.gz SLDCKPQISBXQGO-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000268910666 207076635 /nfs/dbraw/zinc/07/66/35/207076635.db2.gz SLDCKPQISBXQGO-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000268910662 207077052 /nfs/dbraw/zinc/07/70/52/207077052.db2.gz SLDCKPQISBXQGO-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000268910662 207077055 /nfs/dbraw/zinc/07/70/55/207077055.db2.gz SLDCKPQISBXQGO-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268952547 207116331 /nfs/dbraw/zinc/11/63/31/207116331.db2.gz CQCAMCVNEXCYSC-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268952547 207116338 /nfs/dbraw/zinc/11/63/38/207116338.db2.gz CQCAMCVNEXCYSC-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000268997541 207154191 /nfs/dbraw/zinc/15/41/91/207154191.db2.gz TVGBBKIVDMILLH-YTQUADARSA-N 2 1 304.478 3.158 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000099 207155916 /nfs/dbraw/zinc/15/59/16/207155916.db2.gz OUZJPTFYHQTVIC-QFBILLFUSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000099 207155919 /nfs/dbraw/zinc/15/59/19/207155919.db2.gz OUZJPTFYHQTVIC-QFBILLFUSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000099 207155922 /nfs/dbraw/zinc/15/59/22/207155922.db2.gz OUZJPTFYHQTVIC-QFBILLFUSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000099 207155925 /nfs/dbraw/zinc/15/59/25/207155925.db2.gz OUZJPTFYHQTVIC-QFBILLFUSA-N 2 1 311.429 3.258 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)cc1 ZINC000269001349 207156863 /nfs/dbraw/zinc/15/68/63/207156863.db2.gz PKFHTRVHCRKQDN-KKUMJFAQSA-N 2 1 301.434 3.238 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269003605 207158568 /nfs/dbraw/zinc/15/85/68/207158568.db2.gz VOMXYYSRPNJWKE-NSHGMRRFSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269003605 207158571 /nfs/dbraw/zinc/15/85/71/207158571.db2.gz VOMXYYSRPNJWKE-NSHGMRRFSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269025200 207174616 /nfs/dbraw/zinc/17/46/16/207174616.db2.gz RIVHCRDRGXVKFK-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269025200 207174620 /nfs/dbraw/zinc/17/46/20/207174620.db2.gz RIVHCRDRGXVKFK-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000269038626 207188221 /nfs/dbraw/zinc/18/82/21/207188221.db2.gz WHHIPCWFJRZKOF-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000269038626 207188223 /nfs/dbraw/zinc/18/82/23/207188223.db2.gz WHHIPCWFJRZKOF-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000269040446 207188535 /nfs/dbraw/zinc/18/85/35/207188535.db2.gz GKPMFJQSTACVQH-QEEYODRMSA-N 2 1 324.472 3.314 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000269042762 207191899 /nfs/dbraw/zinc/19/18/99/207191899.db2.gz XNLXYXXQCFEXSI-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000269042762 207191903 /nfs/dbraw/zinc/19/19/03/207191903.db2.gz XNLXYXXQCFEXSI-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000269070692 207220578 /nfs/dbraw/zinc/22/05/78/207220578.db2.gz ZYQKILPLFHEADG-FPTDNZKUSA-N 2 1 320.502 3.092 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269091113 207233745 /nfs/dbraw/zinc/23/37/45/207233745.db2.gz QOWMMQBAPNQMQC-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269091113 207233750 /nfs/dbraw/zinc/23/37/50/207233750.db2.gz QOWMMQBAPNQMQC-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP COC(=O)c1oc([C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000269135517 207266531 /nfs/dbraw/zinc/26/65/31/207266531.db2.gz QUDHXAILXVUOES-GFCCVEGCSA-N 2 1 317.389 3.038 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(O)CC1 ZINC000269216444 207336454 /nfs/dbraw/zinc/33/64/54/207336454.db2.gz CCAHETOPOXFPPY-XYSFFOQXSA-N 2 1 316.489 3.036 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+]CC[NH2+]C(C)(C)C ZINC000415086074 532961924 /nfs/dbraw/zinc/96/19/24/532961924.db2.gz UDZHKCXYZNLGIZ-CQSZACIVSA-N 2 1 310.507 3.401 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000248686623 285017898 /nfs/dbraw/zinc/01/78/98/285017898.db2.gz ZRFMAYYYKCBLCS-QUCCMNQESA-N 2 1 314.473 3.223 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000248686623 285017901 /nfs/dbraw/zinc/01/79/01/285017901.db2.gz ZRFMAYYYKCBLCS-QUCCMNQESA-N 2 1 314.473 3.223 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248726164 285019783 /nfs/dbraw/zinc/01/97/83/285019783.db2.gz ISMOSTQXCAQXJT-AKHDSKFASA-N 2 1 320.521 3.436 20 0 DGADMP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248918188 285038960 /nfs/dbraw/zinc/03/89/60/285038960.db2.gz DPEGQBPUTJBFIZ-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1CC[NH+](C/C=C/C[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000249093575 285055128 /nfs/dbraw/zinc/05/51/28/285055128.db2.gz SZMXZVLZFBYCJO-OBMMGQTPSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783496 252905605 /nfs/dbraw/zinc/90/56/05/252905605.db2.gz LWJPECHEGPTPON-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP COc1cccc(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000337040807 253039214 /nfs/dbraw/zinc/03/92/14/253039214.db2.gz AZORGYXUIRHFQK-VQTJNVASSA-N 2 1 310.441 3.055 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337241318 253067934 /nfs/dbraw/zinc/06/79/34/253067934.db2.gz GSAHMRULBLEFMV-UHFFFAOYSA-N 3 1 312.461 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1CN(C)CCC[NH+]1CCCC1 ZINC000337241318 253067936 /nfs/dbraw/zinc/06/79/36/253067936.db2.gz GSAHMRULBLEFMV-UHFFFAOYSA-N 3 1 312.461 3.098 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000337376663 253101179 /nfs/dbraw/zinc/10/11/79/253101179.db2.gz GYCUNPDXMCONHW-YQQAZPJKSA-N 2 1 320.477 3.016 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000337376663 253101182 /nfs/dbraw/zinc/10/11/82/253101182.db2.gz GYCUNPDXMCONHW-YQQAZPJKSA-N 2 1 320.477 3.016 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCC4)c2)CCO1 ZINC000337524658 253133403 /nfs/dbraw/zinc/13/34/03/253133403.db2.gz RHUMFCNABBSRKS-QFBILLFUSA-N 2 1 314.473 3.330 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCC4)c2)CCO1 ZINC000337524658 253133404 /nfs/dbraw/zinc/13/34/04/253133404.db2.gz RHUMFCNABBSRKS-QFBILLFUSA-N 2 1 314.473 3.330 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000337948693 253198826 /nfs/dbraw/zinc/19/88/26/253198826.db2.gz JGOYPYLVCZOTJG-UHFFFAOYSA-N 2 1 301.434 3.406 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000337950864 253199497 /nfs/dbraw/zinc/19/94/97/253199497.db2.gz PMFMNWQQOZJNSM-UHFFFAOYSA-N 2 1 303.353 3.452 20 0 DGADMP CC[C@@](C)(O)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000251981793 285100696 /nfs/dbraw/zinc/10/06/96/285100696.db2.gz VLUDVFKHHWIYLZ-RTBURBONSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@](C)(O)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000251981793 285100700 /nfs/dbraw/zinc/10/07/00/285100700.db2.gz VLUDVFKHHWIYLZ-RTBURBONSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@](C)(O)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000251981793 285100703 /nfs/dbraw/zinc/10/07/03/285100703.db2.gz VLUDVFKHHWIYLZ-RTBURBONSA-N 2 1 304.478 3.134 20 0 DGADMP CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302078 253261433 /nfs/dbraw/zinc/26/14/33/253261433.db2.gz IJYBWKJMWOUMJE-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000338302078 253261434 /nfs/dbraw/zinc/26/14/34/253261434.db2.gz IJYBWKJMWOUMJE-AZUAARDMSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302078 253261437 /nfs/dbraw/zinc/26/14/37/253261437.db2.gz IJYBWKJMWOUMJE-AZUAARDMSA-N 3 1 317.521 3.219 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000338544469 253306516 /nfs/dbraw/zinc/30/65/16/253306516.db2.gz BENIFYKUFYEQAG-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP CC(C)CCC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000338443141 253289105 /nfs/dbraw/zinc/28/91/05/253289105.db2.gz HKAZHFBAGJPIPK-LJQANCHMSA-N 2 1 304.478 3.169 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000159119168 197328307 /nfs/dbraw/zinc/32/83/07/197328307.db2.gz FDYYPNBEQVLIGX-MRXNPFEDSA-N 2 1 320.477 3.155 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOCCc3ccccc3)CC[C@@H]21 ZINC000158642552 197290551 /nfs/dbraw/zinc/29/05/51/197290551.db2.gz QAHMGDXZTVVXFE-UXHICEINSA-N 2 1 316.489 3.052 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOCCc3ccccc3)CC[C@@H]21 ZINC000158642552 197290553 /nfs/dbraw/zinc/29/05/53/197290553.db2.gz QAHMGDXZTVVXFE-UXHICEINSA-N 2 1 316.489 3.052 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOCCc3ccccc3)CC[C@@H]21 ZINC000158642552 197290555 /nfs/dbraw/zinc/29/05/55/197290555.db2.gz QAHMGDXZTVVXFE-UXHICEINSA-N 2 1 316.489 3.052 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000339008929 253388557 /nfs/dbraw/zinc/38/85/57/253388557.db2.gz CMAHNPKGKPUJLC-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000339008929 253388560 /nfs/dbraw/zinc/38/85/60/253388560.db2.gz CMAHNPKGKPUJLC-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000339008929 253388562 /nfs/dbraw/zinc/38/85/62/253388562.db2.gz CMAHNPKGKPUJLC-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000158778475 197300487 /nfs/dbraw/zinc/30/04/87/197300487.db2.gz QDFRSQZQJBHIKA-CPUCHLNUSA-N 2 1 310.482 3.377 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000286512885 219029453 /nfs/dbraw/zinc/02/94/53/219029453.db2.gz QHTAWLPBOLNUSF-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000286512885 219029455 /nfs/dbraw/zinc/02/94/55/219029455.db2.gz QHTAWLPBOLNUSF-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000286512885 219029457 /nfs/dbraw/zinc/02/94/57/219029457.db2.gz QHTAWLPBOLNUSF-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000286512885 219029460 /nfs/dbraw/zinc/02/94/60/219029460.db2.gz QHTAWLPBOLNUSF-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340687605 253670390 /nfs/dbraw/zinc/67/03/90/253670390.db2.gz AUGMULDNKFQVIT-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340687605 253670392 /nfs/dbraw/zinc/67/03/92/253670392.db2.gz AUGMULDNKFQVIT-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCc2cnn(C)c2)cc1 ZINC000158296490 197260787 /nfs/dbraw/zinc/26/07/87/197260787.db2.gz SJFFPIWPRLUUGD-HNNXBMFYSA-N 2 1 323.444 3.198 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCc2cnn(C)c2)cc1 ZINC000158296349 197260622 /nfs/dbraw/zinc/26/06/22/197260622.db2.gz SJFFPIWPRLUUGD-OAHLLOKOSA-N 2 1 323.444 3.198 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2)CC1 ZINC000342620882 254019681 /nfs/dbraw/zinc/01/96/81/254019681.db2.gz BCWFBRLIQCZIPO-LJQANCHMSA-N 2 1 315.505 3.102 20 0 DGADMP CCOCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342868530 254068822 /nfs/dbraw/zinc/06/88/22/254068822.db2.gz ODUGWGNUJZGQLZ-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1ccnc1 ZINC000342746740 254041877 /nfs/dbraw/zinc/04/18/77/254041877.db2.gz GXIXTTFRCNKRKZ-WFASDCNBSA-N 2 1 302.447 3.300 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1ccnc1 ZINC000342746740 254041878 /nfs/dbraw/zinc/04/18/78/254041878.db2.gz GXIXTTFRCNKRKZ-WFASDCNBSA-N 2 1 302.447 3.300 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]2C(C)C)CC1 ZINC000342867409 254068413 /nfs/dbraw/zinc/06/84/13/254068413.db2.gz QWVJYMDEFIAZPJ-GOSISDBHSA-N 2 1 301.478 3.059 20 0 DGADMP c1ccc2c(c1)CCN(CCC[N@H+]1CCc3ccccc3C1)C2 ZINC000343288982 254124434 /nfs/dbraw/zinc/12/44/34/254124434.db2.gz ZRGZCVHKIPDQQV-UHFFFAOYSA-N 2 1 306.453 3.493 20 0 DGADMP Cc1cccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000343629621 254170142 /nfs/dbraw/zinc/17/01/42/254170142.db2.gz OBEFWLMOBFGDGX-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343629621 254170143 /nfs/dbraw/zinc/17/01/43/254170143.db2.gz OBEFWLMOBFGDGX-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343629621 254170145 /nfs/dbraw/zinc/17/01/45/254170145.db2.gz OBEFWLMOBFGDGX-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343838194 254194287 /nfs/dbraw/zinc/19/42/87/254194287.db2.gz JQGXWUUZGOTPFH-SECBINFHSA-N 2 1 305.369 3.074 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343838194 254194290 /nfs/dbraw/zinc/19/42/90/254194290.db2.gz JQGXWUUZGOTPFH-SECBINFHSA-N 2 1 305.369 3.074 20 0 DGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000344102383 254225429 /nfs/dbraw/zinc/22/54/29/254225429.db2.gz NLPGDDOOAQXHLA-HOTGVXAUSA-N 2 1 312.885 3.329 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000344102384 254225638 /nfs/dbraw/zinc/22/56/38/254225638.db2.gz NLPGDDOOAQXHLA-HZPDHXFCSA-N 2 1 312.885 3.329 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344136227 254230594 /nfs/dbraw/zinc/23/05/94/254230594.db2.gz MRFIXPUKVHQNKW-AZUAARDMSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344136227 254230595 /nfs/dbraw/zinc/23/05/95/254230595.db2.gz MRFIXPUKVHQNKW-AZUAARDMSA-N 2 1 316.489 3.182 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1(C)C ZINC000344161528 254234087 /nfs/dbraw/zinc/23/40/87/254234087.db2.gz GJLJZAJJLHNPOV-MSOLQXFVSA-N 2 1 304.478 3.432 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)oc21 ZINC000344277905 254249475 /nfs/dbraw/zinc/24/94/75/254249475.db2.gz CIZZPPAPXBJWNY-ZDUSSCGKSA-N 2 1 300.402 3.354 20 0 DGADMP CC[N@@H+]1C[C@H](NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000344370028 254263140 /nfs/dbraw/zinc/26/31/40/254263140.db2.gz MISLDFGMIVIFAP-QKLQHJQFSA-N 2 1 315.505 3.142 20 0 DGADMP CC1(C)CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000344522979 254279536 /nfs/dbraw/zinc/27/95/36/254279536.db2.gz IQAGHPLRGIYCDP-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344522979 254279537 /nfs/dbraw/zinc/27/95/37/254279537.db2.gz IQAGHPLRGIYCDP-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP CCC1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000344541637 254281102 /nfs/dbraw/zinc/28/11/02/254281102.db2.gz VWMVRZVQGFLWND-UUKMXZOPSA-N 2 1 316.489 3.182 20 0 DGADMP CCC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344541637 254281104 /nfs/dbraw/zinc/28/11/04/254281104.db2.gz VWMVRZVQGFLWND-UUKMXZOPSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261820009 285193326 /nfs/dbraw/zinc/19/33/26/285193326.db2.gz ARFHNWJJDFSQIA-KZNAEPCWSA-N 3 1 307.526 3.150 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154894914 197003160 /nfs/dbraw/zinc/00/31/60/197003160.db2.gz PWHJYYXRPSJYAZ-FQEVSTJZSA-N 2 1 316.489 3.017 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000294717953 224189409 /nfs/dbraw/zinc/18/94/09/224189409.db2.gz FYCAESBMACCUAW-ROUUACIJSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000294717953 224189411 /nfs/dbraw/zinc/18/94/11/224189411.db2.gz FYCAESBMACCUAW-ROUUACIJSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000294717953 224189413 /nfs/dbraw/zinc/18/94/13/224189413.db2.gz FYCAESBMACCUAW-ROUUACIJSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000294717953 224189416 /nfs/dbraw/zinc/18/94/16/224189416.db2.gz FYCAESBMACCUAW-ROUUACIJSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ncc([C@H](C)NCCC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC000120766383 195233453 /nfs/dbraw/zinc/23/34/53/195233453.db2.gz HMRXOWWWIBMVJR-AWEZNQCLSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c(C)n1 ZINC000120766383 195233454 /nfs/dbraw/zinc/23/34/54/195233454.db2.gz HMRXOWWWIBMVJR-AWEZNQCLSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC000120766383 195233456 /nfs/dbraw/zinc/23/34/56/195233456.db2.gz HMRXOWWWIBMVJR-AWEZNQCLSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289585771 221085002 /nfs/dbraw/zinc/08/50/02/221085002.db2.gz FBTIWZKRKIBJQE-NSHDSACASA-N 2 1 323.238 3.090 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000289595473 221091363 /nfs/dbraw/zinc/09/13/63/221091363.db2.gz PYYSMCGIJQSQSO-UHFFFAOYSA-N 2 1 311.429 3.138 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000289595473 221091365 /nfs/dbraw/zinc/09/13/65/221091365.db2.gz PYYSMCGIJQSQSO-UHFFFAOYSA-N 2 1 311.429 3.138 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000337565648 285314659 /nfs/dbraw/zinc/31/46/59/285314659.db2.gz AZCLMWYFYYNZTF-KBPBESRZSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000337565648 285314660 /nfs/dbraw/zinc/31/46/60/285314660.db2.gz AZCLMWYFYYNZTF-KBPBESRZSA-N 2 1 314.351 3.302 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294934282 224322375 /nfs/dbraw/zinc/32/23/75/224322375.db2.gz ZRZWJBIFZQINLY-LMMKCTJWSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294934282 224322376 /nfs/dbraw/zinc/32/23/76/224322376.db2.gz ZRZWJBIFZQINLY-LMMKCTJWSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000294936547 224323356 /nfs/dbraw/zinc/32/33/56/224323356.db2.gz ZWWNTJDNOQAPEA-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000294936547 224323358 /nfs/dbraw/zinc/32/33/58/224323358.db2.gz ZWWNTJDNOQAPEA-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858798 221275091 /nfs/dbraw/zinc/27/50/91/221275091.db2.gz RLRRKBMMRPSSPG-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858798 221275092 /nfs/dbraw/zinc/27/50/92/221275092.db2.gz RLRRKBMMRPSSPG-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289987402 221363520 /nfs/dbraw/zinc/36/35/20/221363520.db2.gz YEJNLCSKLMMKJV-CQSZACIVSA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1O ZINC000290001116 221371813 /nfs/dbraw/zinc/37/18/13/221371813.db2.gz ZAPFWNIMLXBXFX-LSDHHAIUSA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1O ZINC000290001116 221371816 /nfs/dbraw/zinc/37/18/16/221371816.db2.gz ZAPFWNIMLXBXFX-LSDHHAIUSA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352539755 285354690 /nfs/dbraw/zinc/35/46/90/285354690.db2.gz CLHOQHUMLLJBCD-UHFFFAOYSA-N 2 1 306.450 3.045 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121916407 195373499 /nfs/dbraw/zinc/37/34/99/195373499.db2.gz NKOROLDFJXHLTO-CQSZACIVSA-N 2 1 301.434 3.382 20 0 DGADMP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)oc1C ZINC000121633757 195321287 /nfs/dbraw/zinc/32/12/87/195321287.db2.gz CUDARZUOXOSDCJ-UHFFFAOYSA-N 2 1 305.466 3.379 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742829 533529180 /nfs/dbraw/zinc/52/91/80/533529180.db2.gz WOIRKRZEOZYPEY-AHCXZYCDSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(OC(F)F)cc1C ZINC000442916779 533601789 /nfs/dbraw/zinc/60/17/89/533601789.db2.gz AMTADVNZMIXJMD-AWEZNQCLSA-N 2 1 312.404 3.466 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432417391 533670471 /nfs/dbraw/zinc/67/04/71/533670471.db2.gz VKIUCOPCSZPPEP-DLBZAZTESA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432417391 533670478 /nfs/dbraw/zinc/67/04/78/533670478.db2.gz VKIUCOPCSZPPEP-DLBZAZTESA-N 2 1 322.468 3.237 20 0 DGADMP CC(C)[NH+](CCNc1cc[nH+]cc1Br)C(C)C ZINC000163897172 132127054 /nfs/dbraw/zinc/12/70/54/132127054.db2.gz HXAPRHOUNXEZAE-UHFFFAOYSA-N 2 1 300.244 3.375 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)([NH+](C)C)C1 ZINC000340513345 296493821 /nfs/dbraw/zinc/49/38/21/296493821.db2.gz BGMVVQKCVUCEAP-DZVNLGKHSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000608565822 400086393 /nfs/dbraw/zinc/08/63/93/400086393.db2.gz YRBLWFGOPDPUEO-QIPZNREISA-N 2 1 314.564 3.194 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507212 400175302 /nfs/dbraw/zinc/17/53/02/400175302.db2.gz IKOSVQVFJFEHJR-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507212 400175306 /nfs/dbraw/zinc/17/53/06/400175306.db2.gz IKOSVQVFJFEHJR-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(C)C)c3)C2)CC1 ZINC000595315010 400125636 /nfs/dbraw/zinc/12/56/36/400125636.db2.gz WMJSYUMRIXGHSS-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043636 400150474 /nfs/dbraw/zinc/15/04/74/400150474.db2.gz IUXZJEDWTNLWAW-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043636 400150477 /nfs/dbraw/zinc/15/04/77/400150477.db2.gz IUXZJEDWTNLWAW-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043636 400150481 /nfs/dbraw/zinc/15/04/81/400150481.db2.gz IUXZJEDWTNLWAW-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043636 400150483 /nfs/dbraw/zinc/15/04/83/400150483.db2.gz IUXZJEDWTNLWAW-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCSCc1ccccc1)C2 ZINC000595504167 400170072 /nfs/dbraw/zinc/17/00/72/400170072.db2.gz FKBUPSLXFDTFMC-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCSCc1ccccc1)C2 ZINC000595504167 400170077 /nfs/dbraw/zinc/17/00/77/400170077.db2.gz FKBUPSLXFDTFMC-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCSCc1ccccc1)C2 ZINC000595504167 400170080 /nfs/dbraw/zinc/17/00/80/400170080.db2.gz FKBUPSLXFDTFMC-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP Fc1ccccc1CSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067640 400190304 /nfs/dbraw/zinc/19/03/04/400190304.db2.gz BQOIAIICEOMEKR-CVEARBPZSA-N 2 1 308.466 3.275 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)s1 ZINC000069754290 400341408 /nfs/dbraw/zinc/34/14/08/400341408.db2.gz PXEMWKHXPSMYAT-UHFFFAOYSA-N 2 1 314.252 3.195 20 0 DGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(Cl)c1OC ZINC000069754141 400342032 /nfs/dbraw/zinc/34/20/32/400342032.db2.gz UPKIKRJTGSRQCD-UHFFFAOYSA-N 2 1 323.824 3.042 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000040620690 400402102 /nfs/dbraw/zinc/40/21/02/400402102.db2.gz RKWXIVITQULNPD-CQSZACIVSA-N 2 1 311.267 3.269 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860473 400409411 /nfs/dbraw/zinc/40/94/11/400409411.db2.gz BHLITOPMXIAJGL-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860473 400409416 /nfs/dbraw/zinc/40/94/16/400409416.db2.gz BHLITOPMXIAJGL-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860473 400409419 /nfs/dbraw/zinc/40/94/19/400409419.db2.gz BHLITOPMXIAJGL-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860473 400409423 /nfs/dbraw/zinc/40/94/23/400409423.db2.gz BHLITOPMXIAJGL-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000611497883 400410740 /nfs/dbraw/zinc/41/07/40/400410740.db2.gz LHMXJRUSEFPVGO-INIZCTEOSA-N 2 1 318.461 3.073 20 0 DGADMP CS[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000590656529 400410879 /nfs/dbraw/zinc/41/08/79/400410879.db2.gz ISEFYDLYTURPCJ-SFHVURJKSA-N 2 1 320.502 3.099 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000119999936 400442160 /nfs/dbraw/zinc/44/21/60/400442160.db2.gz YMVXYZYOEQCNDP-LBPRGKRZSA-N 2 1 317.260 3.256 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000119999936 400442165 /nfs/dbraw/zinc/44/21/65/400442165.db2.gz YMVXYZYOEQCNDP-LBPRGKRZSA-N 2 1 317.260 3.256 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000591082560 400483959 /nfs/dbraw/zinc/48/39/59/400483959.db2.gz PMUAAOHVTNDHEF-QGZVFWFLSA-N 2 1 310.376 3.408 20 0 DGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597026186 400542339 /nfs/dbraw/zinc/54/23/39/400542339.db2.gz FEEYIKDDFSFYEP-NVXWUHKLSA-N 2 1 316.474 3.373 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000591709926 400551400 /nfs/dbraw/zinc/55/14/00/400551400.db2.gz ZVLUXBMVYQJIBK-UHFFFAOYSA-N 2 1 308.429 3.304 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000602726842 400552815 /nfs/dbraw/zinc/55/28/15/400552815.db2.gz CDMVUEUACVLTHJ-NVXWUHKLSA-N 2 1 304.503 3.240 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000075713430 400607416 /nfs/dbraw/zinc/60/74/16/400607416.db2.gz BRUZNMKKOAQPRI-UHFFFAOYSA-N 2 1 316.489 3.216 20 0 DGADMP Cc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)nc(C)[nH+]1 ZINC000613464523 400728124 /nfs/dbraw/zinc/72/81/24/400728124.db2.gz JSGHGJNOFQGDLU-UHFFFAOYSA-N 2 1 302.466 3.186 20 0 DGADMP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000052441658 400730328 /nfs/dbraw/zinc/73/03/28/400730328.db2.gz VGGPKSMXNRPHRB-CQSZACIVSA-N 2 1 324.415 3.070 20 0 DGADMP CCc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000603517269 400696786 /nfs/dbraw/zinc/69/67/86/400696786.db2.gz LZPCIFRBNGOGNC-HNNXBMFYSA-N 2 1 308.491 3.044 20 0 DGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000172627107 400835678 /nfs/dbraw/zinc/83/56/78/400835678.db2.gz NPKCBLFZQGGVNR-UHFFFAOYSA-N 2 1 303.494 3.498 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2ccc3cc(OC)ccc3n2)C1 ZINC000172788166 400839557 /nfs/dbraw/zinc/83/95/57/400839557.db2.gz UNBBPIKZWRXTBN-HNNXBMFYSA-N 2 1 313.445 3.412 20 0 DGADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CO2 ZINC000629512434 400950509 /nfs/dbraw/zinc/95/05/09/400950509.db2.gz ABWMLWMEETVHEH-WSTZPKSXSA-N 2 1 322.452 3.381 20 0 DGADMP COC(=O)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960889 400912693 /nfs/dbraw/zinc/91/26/93/400912693.db2.gz PJFTWNNLEDYPHI-IAGOWNOFSA-N 2 1 318.461 3.143 20 0 DGADMP COC(=O)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960889 400912696 /nfs/dbraw/zinc/91/26/96/400912696.db2.gz PJFTWNNLEDYPHI-IAGOWNOFSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598980035 400919194 /nfs/dbraw/zinc/91/91/94/400919194.db2.gz GKASVNZVCVCKEB-LSDHHAIUSA-N 2 1 312.498 3.063 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000598994408 400923168 /nfs/dbraw/zinc/92/31/68/400923168.db2.gz MKHPBZLUPJZKOI-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000056494559 400929332 /nfs/dbraw/zinc/92/93/32/400929332.db2.gz FLNPQZIPVUOLOD-CQSZACIVSA-N 2 1 324.415 3.070 20 0 DGADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000599041075 400935489 /nfs/dbraw/zinc/93/54/89/400935489.db2.gz JTJBTPBZWKHPID-LXPRWKDFSA-N 2 1 324.509 3.066 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CO2 ZINC000629652795 401018736 /nfs/dbraw/zinc/01/87/36/401018736.db2.gz CWEYFMQUEUJWGD-OALUTQOASA-N 2 1 312.457 3.174 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]CC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000237138191 400985554 /nfs/dbraw/zinc/98/55/54/400985554.db2.gz RIMBNNLOLVOBTH-GOSISDBHSA-N 2 1 303.494 3.001 20 0 DGADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000629653381 401020715 /nfs/dbraw/zinc/02/07/15/401020715.db2.gz IPJLOCYDHVEVSU-VQTJNVASSA-N 2 1 311.473 3.197 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000629536502 400965179 /nfs/dbraw/zinc/96/51/79/400965179.db2.gz GGNSAPTVUWNCHQ-OAHLLOKOSA-N 2 1 301.478 3.477 20 0 DGADMP CCc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563652 400977315 /nfs/dbraw/zinc/97/73/15/400977315.db2.gz QANSMVOSHROFEF-GJZGRUSLSA-N 2 1 300.368 3.208 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccsc2)CC[C@@H]1C(F)(F)F ZINC000629562465 400978153 /nfs/dbraw/zinc/97/81/53/400978153.db2.gz NHWMZYPXCVLHOU-STQMWFEESA-N 2 1 306.397 3.140 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606902915 400978658 /nfs/dbraw/zinc/97/86/58/400978658.db2.gz FCDANMNXHBTHOV-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629652447 401018560 /nfs/dbraw/zinc/01/85/60/401018560.db2.gz ASTKGNOTMMGNDL-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629652447 401018567 /nfs/dbraw/zinc/01/85/67/401018567.db2.gz ASTKGNOTMMGNDL-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564830 400979290 /nfs/dbraw/zinc/97/92/90/400979290.db2.gz UNZDFHZEBOGJDV-HZPDHXFCSA-N 2 1 314.395 3.387 20 0 DGADMP CSc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564539 400979489 /nfs/dbraw/zinc/97/94/89/400979489.db2.gz SNSAPEYPVMHLCI-OLZOCXBDSA-N 2 1 318.408 3.368 20 0 DGADMP CSc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564539 400979492 /nfs/dbraw/zinc/97/94/92/400979492.db2.gz SNSAPEYPVMHLCI-OLZOCXBDSA-N 2 1 318.408 3.368 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629565552 400979652 /nfs/dbraw/zinc/97/96/52/400979652.db2.gz KIKAQOOPONOYKT-HUUCEWRRSA-N 2 1 300.368 3.078 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629565208 400979958 /nfs/dbraw/zinc/97/99/58/400979958.db2.gz KAUORTOPXHTLAZ-GJZGRUSLSA-N 2 1 300.368 3.263 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563934 400980286 /nfs/dbraw/zinc/98/02/86/400980286.db2.gz SFNMGXRYCARXHM-TUVASFSCSA-N 2 1 322.415 3.041 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563934 400980291 /nfs/dbraw/zinc/98/02/91/400980291.db2.gz SFNMGXRYCARXHM-TUVASFSCSA-N 2 1 322.415 3.041 20 0 DGADMP CCOCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629574532 400980535 /nfs/dbraw/zinc/98/05/35/400980535.db2.gz KDQNMVOWFSODFU-FXAWDEMLSA-N 2 1 316.489 3.402 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(O)ccc2Cl)C1 ZINC000625212482 401060402 /nfs/dbraw/zinc/06/04/02/401060402.db2.gz QFPLACLFQRZYNS-AWEZNQCLSA-N 2 1 308.853 3.209 20 0 DGADMP CC[NH2+]Cc1cccc(-c2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000629735439 401066365 /nfs/dbraw/zinc/06/63/65/401066365.db2.gz WUNYTLFNGSUNQG-UHFFFAOYSA-N 2 1 323.484 3.211 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CCC)CC2)cc1OC ZINC000061016465 401143745 /nfs/dbraw/zinc/14/37/45/401143745.db2.gz DAZTUYHBNHFWGW-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000607956449 401160338 /nfs/dbraw/zinc/16/03/38/401160338.db2.gz HDGWYALOTPQZMU-AWEZNQCLSA-N 2 1 306.450 3.056 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c(C)n1 ZINC000358251076 286011022 /nfs/dbraw/zinc/01/10/22/286011022.db2.gz QKIKFRIZXDJILX-QAPCUYQASA-N 2 1 306.498 3.202 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c(C)n1 ZINC000358251076 286011024 /nfs/dbraw/zinc/01/10/24/286011024.db2.gz QKIKFRIZXDJILX-QAPCUYQASA-N 2 1 306.498 3.202 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253166 286011753 /nfs/dbraw/zinc/01/17/53/286011753.db2.gz NNYWZVPXAZILHW-OXJNMPFZSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253166 286011754 /nfs/dbraw/zinc/01/17/54/286011754.db2.gz NNYWZVPXAZILHW-OXJNMPFZSA-N 2 1 310.441 3.071 20 0 DGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255551 286012405 /nfs/dbraw/zinc/01/24/05/286012405.db2.gz REOQAMCDVZVCHW-FUHWJXTLSA-N 2 1 324.896 3.474 20 0 DGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255551 286012407 /nfs/dbraw/zinc/01/24/07/286012407.db2.gz REOQAMCDVZVCHW-FUHWJXTLSA-N 2 1 324.896 3.474 20 0 DGADMP CCOc1cncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000621343421 401175203 /nfs/dbraw/zinc/17/52/03/401175203.db2.gz GBBZSOGNOLBEOJ-RDJZCZTQSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000621343421 401175207 /nfs/dbraw/zinc/17/52/07/401175207.db2.gz GBBZSOGNOLBEOJ-RDJZCZTQSA-N 2 1 317.477 3.223 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089543207 401225777 /nfs/dbraw/zinc/22/57/77/401225777.db2.gz FFNCAQNLTSOEBH-HUUCEWRRSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089543207 401225782 /nfs/dbraw/zinc/22/57/82/401225782.db2.gz FFNCAQNLTSOEBH-HUUCEWRRSA-N 2 1 310.388 3.047 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCCCOC)c2)CC1 ZINC000063903395 401224118 /nfs/dbraw/zinc/22/41/18/401224118.db2.gz SBGLDNSEGDYQJD-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[C@H](C)CO)cc1 ZINC000358366718 286043056 /nfs/dbraw/zinc/04/30/56/286043056.db2.gz JFYRRFFEGUTHRK-GJZGRUSLSA-N 2 1 301.434 3.240 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634686769 401334752 /nfs/dbraw/zinc/33/47/52/401334752.db2.gz RPAZVUXQZSCCIX-NZSAHSFTSA-N 2 1 316.489 3.302 20 0 DGADMP Cn1c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc2ccc(Cl)cc21 ZINC000634733119 401341386 /nfs/dbraw/zinc/34/13/86/401341386.db2.gz XFQDNGLTEFYIHF-ZDUSSCGKSA-N 2 1 320.868 3.095 20 0 DGADMP CC[N@@H+](CCn1nc(C)cc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061985 401291351 /nfs/dbraw/zinc/29/13/51/401291351.db2.gz BQDJFTGVQYZCLO-UHFFFAOYSA-N 2 1 314.477 3.084 20 0 DGADMP Cc1ccccc1-c1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000635001111 401398186 /nfs/dbraw/zinc/39/81/86/401398186.db2.gz HCHXKTUODQAVRJ-UHFFFAOYSA-N 2 1 324.468 3.208 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000635012866 401403632 /nfs/dbraw/zinc/40/36/32/401403632.db2.gz WKYPNSHXYCQZSL-HZPDHXFCSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195411 401422670 /nfs/dbraw/zinc/42/26/70/401422670.db2.gz GQAAXKHYAWOOHH-KSSFIOAISA-N 2 1 313.445 3.149 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195411 401422674 /nfs/dbraw/zinc/42/26/74/401422674.db2.gz GQAAXKHYAWOOHH-KSSFIOAISA-N 2 1 313.445 3.149 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccncc1F ZINC000631194781 401423054 /nfs/dbraw/zinc/42/30/54/401423054.db2.gz PNMNWUAEUOLAID-CRAIPNDOSA-N 2 1 313.420 3.078 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196430 401423871 /nfs/dbraw/zinc/42/38/71/401423871.db2.gz RPMBALQUTAYOAF-SCTDSRPQSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCSCC1 ZINC000631196281 401423977 /nfs/dbraw/zinc/42/39/77/401423977.db2.gz PTUXIJZIUKAGHI-RDJZCZTQSA-N 2 1 304.503 3.240 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195976 401424020 /nfs/dbraw/zinc/42/40/20/401424020.db2.gz LVDCPQGTSVKUTO-PXNSSMCTSA-N 2 1 309.457 3.248 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000631663772 401528512 /nfs/dbraw/zinc/52/85/12/401528512.db2.gz LJDDZHDLTHDOSN-ZIFCJYIRSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000623656590 401563094 /nfs/dbraw/zinc/56/30/94/401563094.db2.gz XVRCFMZDGDDOKI-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)n1-c1ccccc1 ZINC000623656133 401563345 /nfs/dbraw/zinc/56/33/45/401563345.db2.gz NVHUYSROQXNGKB-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)n1-c1ccccc1 ZINC000623656133 401563347 /nfs/dbraw/zinc/56/33/47/401563347.db2.gz NVHUYSROQXNGKB-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000628204434 401549948 /nfs/dbraw/zinc/54/99/48/401549948.db2.gz XVMHPPSQOKGLFN-CVEARBPZSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757371 401550666 /nfs/dbraw/zinc/55/06/66/401550666.db2.gz XEKIKUOCQHUEBZ-DTZQCDIJSA-N 2 1 312.379 3.437 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757371 401550668 /nfs/dbraw/zinc/55/06/68/401550668.db2.gz XEKIKUOCQHUEBZ-DTZQCDIJSA-N 2 1 312.379 3.437 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757369 401550727 /nfs/dbraw/zinc/55/07/27/401550727.db2.gz XEKIKUOCQHUEBZ-DRPJVOAASA-N 2 1 312.379 3.437 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757369 401550728 /nfs/dbraw/zinc/55/07/28/401550728.db2.gz XEKIKUOCQHUEBZ-DRPJVOAASA-N 2 1 312.379 3.437 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628223624 401553782 /nfs/dbraw/zinc/55/37/82/401553782.db2.gz LQRUTXWUGGDYPJ-WFASDCNBSA-N 2 1 300.368 3.320 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119687 401628780 /nfs/dbraw/zinc/62/87/80/401628780.db2.gz HDBUVKPGBOAARV-IRXDYDNUSA-N 2 1 317.477 3.034 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN(C)CC(F)F)cc1 ZINC000624324739 401651433 /nfs/dbraw/zinc/65/14/33/401651433.db2.gz TXKHZXPXFHGUMU-CYBMUJFWSA-N 2 1 322.403 3.028 20 0 DGADMP Cc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000124988149 292202331 /nfs/dbraw/zinc/20/23/31/292202331.db2.gz SUTFCEIECJOIKY-MISYRCLQSA-N 2 1 315.505 3.204 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CCC2)cc1 ZINC000187050591 292204613 /nfs/dbraw/zinc/20/46/13/292204613.db2.gz ANKOXCAPRJSNIR-FQEVSTJZSA-N 2 1 316.489 3.273 20 0 DGADMP [O-]c1cccc2c(NC[C@@H]3CCCN3CC(F)F)cc[nH+]c12 ZINC000624519345 401667419 /nfs/dbraw/zinc/66/74/19/401667419.db2.gz DEJOPYUYLRSKBK-NSHDSACASA-N 2 1 307.344 3.082 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358648347 286116788 /nfs/dbraw/zinc/11/67/88/286116788.db2.gz IOAXOHDJKPHFRW-RAUXBKROSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358648347 286116789 /nfs/dbraw/zinc/11/67/89/286116789.db2.gz IOAXOHDJKPHFRW-RAUXBKROSA-N 2 1 318.505 3.426 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670782 286120287 /nfs/dbraw/zinc/12/02/87/286120287.db2.gz WZKAEFZIQITKGE-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670782 286120289 /nfs/dbraw/zinc/12/02/89/286120289.db2.gz WZKAEFZIQITKGE-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000358769354 286148897 /nfs/dbraw/zinc/14/88/97/286148897.db2.gz HEJRCOPCOJMNDS-DSLXNQLJSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000358769354 286148899 /nfs/dbraw/zinc/14/88/99/286148899.db2.gz HEJRCOPCOJMNDS-DSLXNQLJSA-N 2 1 316.489 3.443 20 0 DGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000359089627 286234263 /nfs/dbraw/zinc/23/42/63/286234263.db2.gz YSLDZQQTXICQIB-QZTJIDSGSA-N 2 1 306.494 3.213 20 0 DGADMP CO[C@@H]1CC[N@H+](CCCc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359069486 286229332 /nfs/dbraw/zinc/22/93/32/286229332.db2.gz XHRBQELBYXPFKJ-RBUKOAKNSA-N 2 1 312.457 3.211 20 0 DGADMP CO[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359069486 286229333 /nfs/dbraw/zinc/22/93/33/286229333.db2.gz XHRBQELBYXPFKJ-RBUKOAKNSA-N 2 1 312.457 3.211 20 0 DGADMP Cc1ccc([C@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191446297 292239808 /nfs/dbraw/zinc/23/98/08/292239808.db2.gz PEMCXOONVGECQD-IBGZPJMESA-N 2 1 317.521 3.404 20 0 DGADMP C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359223255 286263910 /nfs/dbraw/zinc/26/39/10/286263910.db2.gz QYVOCJFWCLJUMC-KBXCAEBGSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359223255 286263912 /nfs/dbraw/zinc/26/39/12/286263912.db2.gz QYVOCJFWCLJUMC-KBXCAEBGSA-N 2 1 322.880 3.492 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321574 286283556 /nfs/dbraw/zinc/28/35/56/286283556.db2.gz LAJDLMCJTHIYBY-IFIJOSMWSA-N 2 1 317.433 3.303 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321574 286283557 /nfs/dbraw/zinc/28/35/57/286283557.db2.gz LAJDLMCJTHIYBY-IFIJOSMWSA-N 2 1 317.433 3.303 20 0 DGADMP CCCCn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC000359332021 286286112 /nfs/dbraw/zinc/28/61/12/286286112.db2.gz NJQXSRSOYFHXQZ-UHFFFAOYSA-N 2 1 306.498 3.344 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(Cl)c1F ZINC000359400634 286300096 /nfs/dbraw/zinc/30/00/96/286300096.db2.gz RMGXHHPRIBLQAE-OAHLLOKOSA-N 2 1 316.848 3.488 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Cl)c1F ZINC000359400634 286300098 /nfs/dbraw/zinc/30/00/98/286300098.db2.gz RMGXHHPRIBLQAE-OAHLLOKOSA-N 2 1 316.848 3.488 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359407872 286301557 /nfs/dbraw/zinc/30/15/57/286301557.db2.gz ANZGQCOBNBPTEW-RTBURBONSA-N 2 1 302.462 3.187 20 0 DGADMP COCC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000449235462 292265362 /nfs/dbraw/zinc/26/53/62/292265362.db2.gz URTPOQBGKDIDPX-NALMEZQBSA-N 2 1 308.510 3.434 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]2C ZINC000359535803 286329597 /nfs/dbraw/zinc/32/95/97/286329597.db2.gz IXCBZXQWWDQXLO-UXLLHSPISA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]2C ZINC000359535803 286329599 /nfs/dbraw/zinc/32/95/99/286329599.db2.gz IXCBZXQWWDQXLO-UXLLHSPISA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]2C ZINC000359535803 286329600 /nfs/dbraw/zinc/32/96/00/286329600.db2.gz IXCBZXQWWDQXLO-UXLLHSPISA-N 2 1 302.462 3.487 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000359640413 286352152 /nfs/dbraw/zinc/35/21/52/286352152.db2.gz LVWHRFKNZONCGC-MRXNPFEDSA-N 2 1 317.477 3.194 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000359640413 286352154 /nfs/dbraw/zinc/35/21/54/286352154.db2.gz LVWHRFKNZONCGC-MRXNPFEDSA-N 2 1 317.477 3.194 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1 ZINC000359923144 286389154 /nfs/dbraw/zinc/38/91/54/286389154.db2.gz BUSQDDWPVSGEMY-KFWWJZLASA-N 2 1 304.482 3.112 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152403322 292337007 /nfs/dbraw/zinc/33/70/07/292337007.db2.gz RAPDFWJRVHEWGP-QAPCUYQASA-N 2 1 300.446 3.283 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119662068 292337594 /nfs/dbraw/zinc/33/75/94/292337594.db2.gz ZMJUJDNTSXMTFR-GOSISDBHSA-N 2 1 300.446 3.425 20 0 DGADMP CC(C)CC[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000361330811 286654998 /nfs/dbraw/zinc/65/49/98/286654998.db2.gz KGVPABDAEGBWNJ-GOSISDBHSA-N 2 1 319.493 3.196 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000248528507 287024537 /nfs/dbraw/zinc/02/45/37/287024537.db2.gz JGOPQKHVFNIETE-JKSUJKDBSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000248528507 287024538 /nfs/dbraw/zinc/02/45/38/287024538.db2.gz JGOPQKHVFNIETE-JKSUJKDBSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H](CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000364756528 287058382 /nfs/dbraw/zinc/05/83/82/287058382.db2.gz FCDPIXCJDRNEJC-RSPOEFSDSA-N 2 1 316.489 3.364 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000364946930 287078370 /nfs/dbraw/zinc/07/83/70/287078370.db2.gz HFKZRZPQELGCOA-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000364946930 287078372 /nfs/dbraw/zinc/07/83/72/287078372.db2.gz HFKZRZPQELGCOA-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP CCN(C)c1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cn1 ZINC000191263252 165240531 /nfs/dbraw/zinc/24/05/31/165240531.db2.gz XUOGUUBHPGJDBP-UHFFFAOYSA-N 2 1 306.498 3.136 20 0 DGADMP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC000192609530 165298591 /nfs/dbraw/zinc/29/85/91/165298591.db2.gz KNMUXTGOISNAKL-AYHJJNSGSA-N 2 1 301.478 3.036 20 0 DGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(F)c1 ZINC000192941255 165311800 /nfs/dbraw/zinc/31/18/00/165311800.db2.gz RZRGLDHSYRFKLJ-NPYXIHBLSA-N 2 1 306.425 3.198 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC[C@@H](C)CCC=C(C)C)C2)CC1 ZINC000193246137 165321062 /nfs/dbraw/zinc/32/10/62/165321062.db2.gz CASKSCUEHIKEQY-PMACEKPBSA-N 2 1 321.553 3.471 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000365255454 287114537 /nfs/dbraw/zinc/11/45/37/287114537.db2.gz KFGJVUXCWLJJQY-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000365255454 287114539 /nfs/dbraw/zinc/11/45/39/287114539.db2.gz KFGJVUXCWLJJQY-UHFFFAOYSA-N 3 1 324.472 3.241 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000365255454 287114542 /nfs/dbraw/zinc/11/45/42/287114542.db2.gz KFGJVUXCWLJJQY-UHFFFAOYSA-N 3 1 324.472 3.241 20 0 DGADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc(Cl)c1OC ZINC000221786876 165379782 /nfs/dbraw/zinc/37/97/82/165379782.db2.gz NVQVXVJHRXUHJY-UHFFFAOYSA-N 2 1 314.857 3.177 20 0 DGADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc(Cl)c1OC ZINC000221786876 165379784 /nfs/dbraw/zinc/37/97/84/165379784.db2.gz NVQVXVJHRXUHJY-UHFFFAOYSA-N 2 1 314.857 3.177 20 0 DGADMP Clc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1Br ZINC000228407558 165390427 /nfs/dbraw/zinc/39/04/27/165390427.db2.gz KURDPICMDHKNMH-UHFFFAOYSA-N 2 1 317.658 3.334 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324205 287134117 /nfs/dbraw/zinc/13/41/17/287134117.db2.gz HACSXCTZAHSVLL-DZGCQCFKSA-N 2 1 308.853 3.088 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261596015 287139088 /nfs/dbraw/zinc/13/90/88/287139088.db2.gz ACXOHGIRHAATCJ-FZMZJTMJSA-N 2 1 302.340 3.317 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000365794011 287172746 /nfs/dbraw/zinc/17/27/46/287172746.db2.gz HRIOJSDEIKUASD-NPYXIHBLSA-N 2 1 302.466 3.056 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000365794011 287172749 /nfs/dbraw/zinc/17/27/49/287172749.db2.gz HRIOJSDEIKUASD-NPYXIHBLSA-N 2 1 302.466 3.056 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000246851780 432171504 /nfs/dbraw/zinc/17/15/04/432171504.db2.gz COVBEVGVYICLML-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000246851780 432171510 /nfs/dbraw/zinc/17/15/10/432171510.db2.gz COVBEVGVYICLML-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000246833058 432169352 /nfs/dbraw/zinc/16/93/52/432169352.db2.gz ANWFMKNIENLFAG-HZPDHXFCSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000246833058 432169354 /nfs/dbraw/zinc/16/93/54/432169354.db2.gz ANWFMKNIENLFAG-HZPDHXFCSA-N 2 1 320.477 3.475 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246837983 432170579 /nfs/dbraw/zinc/17/05/79/432170579.db2.gz BLAUIOATQFWDMV-UMVBOHGHSA-N 2 1 312.404 3.415 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246837983 432170583 /nfs/dbraw/zinc/17/05/83/432170583.db2.gz BLAUIOATQFWDMV-UMVBOHGHSA-N 2 1 312.404 3.415 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccoc1 ZINC000246885548 432177844 /nfs/dbraw/zinc/17/78/44/432177844.db2.gz FCUFBFNJTFXIIQ-JKSUJKDBSA-N 2 1 314.429 3.351 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccoc1 ZINC000246885548 432177847 /nfs/dbraw/zinc/17/78/47/432177847.db2.gz FCUFBFNJTFXIIQ-JKSUJKDBSA-N 2 1 314.429 3.351 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246910885 432179482 /nfs/dbraw/zinc/17/94/82/432179482.db2.gz FWWNZFSGDPZALI-RYQLBKOJSA-N 2 1 319.493 3.045 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(CC)sc32)C1 ZINC000246902699 432180209 /nfs/dbraw/zinc/18/02/09/432180209.db2.gz FWQRPNHRHLYPLX-KGLIPLIRSA-N 2 1 307.507 3.404 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCCC1 ZINC000182264769 432173970 /nfs/dbraw/zinc/17/39/70/432173970.db2.gz UVQQXCTUEDXQSB-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1(C)CC1 ZINC000246934766 432183787 /nfs/dbraw/zinc/18/37/87/432183787.db2.gz HHTOOZKWFRQFQH-JKSUJKDBSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1(C)CC1 ZINC000246934766 432183791 /nfs/dbraw/zinc/18/37/91/432183791.db2.gz HHTOOZKWFRQFQH-JKSUJKDBSA-N 2 1 302.462 3.186 20 0 DGADMP Fc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246949534 432185446 /nfs/dbraw/zinc/18/54/46/432185446.db2.gz UNXINIXEBDYKRI-HNAYVOBHSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246949534 432185449 /nfs/dbraw/zinc/18/54/49/432185449.db2.gz UNXINIXEBDYKRI-HNAYVOBHSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246949534 432185452 /nfs/dbraw/zinc/18/54/52/432185452.db2.gz UNXINIXEBDYKRI-HNAYVOBHSA-N 2 1 318.436 3.153 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000247085873 432199680 /nfs/dbraw/zinc/19/96/80/432199680.db2.gz RGWIQZCSVHZQDM-BRWVUGGUSA-N 2 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085873 432199683 /nfs/dbraw/zinc/19/96/83/432199683.db2.gz RGWIQZCSVHZQDM-BRWVUGGUSA-N 2 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085873 432199686 /nfs/dbraw/zinc/19/96/86/432199686.db2.gz RGWIQZCSVHZQDM-BRWVUGGUSA-N 2 1 321.534 3.032 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2n1 ZINC000150812808 432193139 /nfs/dbraw/zinc/19/31/39/432193139.db2.gz IASLTZKQZVWUMN-KRWDZBQOSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2n1 ZINC000150812781 432193241 /nfs/dbraw/zinc/19/32/41/432193241.db2.gz IASLTZKQZVWUMN-QGZVFWFLSA-N 2 1 309.457 3.461 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182500205 432197734 /nfs/dbraw/zinc/19/77/34/432197734.db2.gz IGCAZDVDTMZWDE-KRWDZBQOSA-N 2 1 302.462 3.046 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000130768181 196107902 /nfs/dbraw/zinc/10/79/02/196107902.db2.gz MDJUHOPQNMVCRC-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP COc1cccc(CCC[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130938723 196123789 /nfs/dbraw/zinc/12/37/89/196123789.db2.gz KIXQWBPLKHXKKU-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP COc1cccc(CCC[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130938723 196123791 /nfs/dbraw/zinc/12/37/91/196123791.db2.gz KIXQWBPLKHXKKU-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000131090626 196138827 /nfs/dbraw/zinc/13/88/27/196138827.db2.gz YJZDPWYRZLQGMN-QGZVFWFLSA-N 2 1 304.482 3.115 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000131090626 196138829 /nfs/dbraw/zinc/13/88/29/196138829.db2.gz YJZDPWYRZLQGMN-QGZVFWFLSA-N 2 1 304.482 3.115 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000151126849 432222048 /nfs/dbraw/zinc/22/20/48/432222048.db2.gz UJNNNULSIZPFAG-HOTGVXAUSA-N 2 1 320.477 3.224 20 0 DGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000269925837 432222079 /nfs/dbraw/zinc/22/20/79/432222079.db2.gz BUMOKAXVVMSRCE-QWHCGFSZSA-N 2 1 314.351 3.144 20 0 DGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000269925837 432222083 /nfs/dbraw/zinc/22/20/83/432222083.db2.gz BUMOKAXVVMSRCE-QWHCGFSZSA-N 2 1 314.351 3.144 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000269923400 432222605 /nfs/dbraw/zinc/22/26/05/432222605.db2.gz BIRUULLEVPFJSN-FZMZJTMJSA-N 2 1 316.367 3.247 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000269923400 432222608 /nfs/dbraw/zinc/22/26/08/432222608.db2.gz BIRUULLEVPFJSN-FZMZJTMJSA-N 2 1 316.367 3.247 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000269935036 432224081 /nfs/dbraw/zinc/22/40/81/432224081.db2.gz DZNWCSQTDVPNQL-PKOBYXMFSA-N 2 1 313.445 3.339 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cccnc2)cc1 ZINC000133505181 196330092 /nfs/dbraw/zinc/33/00/92/196330092.db2.gz DVGHMMCDVYTOIN-OAHLLOKOSA-N 2 1 306.413 3.469 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422880990 287276769 /nfs/dbraw/zinc/27/67/69/287276769.db2.gz MURKIPRRVAWYRN-MNEFBYGVSA-N 2 1 301.478 3.030 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000296395246 225831518 /nfs/dbraw/zinc/83/15/18/225831518.db2.gz LFRMLUWCOSSHAI-QAPCUYQASA-N 2 1 304.503 3.301 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000296777535 226222552 /nfs/dbraw/zinc/22/25/52/226222552.db2.gz RWDNHSYRMNHLLR-MRXNPFEDSA-N 2 1 304.478 3.268 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000120695591 545888163 /nfs/dbraw/zinc/88/81/63/545888163.db2.gz AIGLVAJJEOEFGC-SWLSCSKDSA-N 2 1 305.853 3.436 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291190975 222208094 /nfs/dbraw/zinc/20/80/94/222208094.db2.gz PERWKZWFSWGNIP-OGWHTMIXSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291190975 222208096 /nfs/dbraw/zinc/20/80/96/222208096.db2.gz PERWKZWFSWGNIP-OGWHTMIXSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291190978 222208984 /nfs/dbraw/zinc/20/89/84/222208984.db2.gz PERWKZWFSWGNIP-QFHJOOASSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291190978 222208989 /nfs/dbraw/zinc/20/89/89/222208989.db2.gz PERWKZWFSWGNIP-QFHJOOASSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000291198651 222217202 /nfs/dbraw/zinc/21/72/02/222217202.db2.gz PYJMJJKOWQWGQU-HKUYNNGSSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000291198651 222217204 /nfs/dbraw/zinc/21/72/04/222217204.db2.gz PYJMJJKOWQWGQU-HKUYNNGSSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291222766 222236148 /nfs/dbraw/zinc/23/61/48/222236148.db2.gz SKBDZUOQTJEOOO-IEBWSBKVSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1cc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000302308903 230213741 /nfs/dbraw/zinc/21/37/41/230213741.db2.gz OPMLWHHKZCBCJC-HXUWFJFHSA-N 2 1 324.472 3.181 20 0 DGADMP Cc1cc(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000302308903 230213745 /nfs/dbraw/zinc/21/37/45/230213745.db2.gz OPMLWHHKZCBCJC-HXUWFJFHSA-N 2 1 324.472 3.181 20 0 DGADMP Cc1cc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000302308903 230213748 /nfs/dbraw/zinc/21/37/48/230213748.db2.gz OPMLWHHKZCBCJC-HXUWFJFHSA-N 2 1 324.472 3.181 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000346279490 264001901 /nfs/dbraw/zinc/00/19/01/264001901.db2.gz QOSCSQNPGMGXGC-VJFUWPCTSA-N 2 1 305.466 3.251 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000346279490 264001903 /nfs/dbraw/zinc/00/19/03/264001903.db2.gz QOSCSQNPGMGXGC-VJFUWPCTSA-N 2 1 305.466 3.251 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[N@@H+](C)[C@H]3C)CC2)C1 ZINC000346312246 264008457 /nfs/dbraw/zinc/00/84/57/264008457.db2.gz HHIVJNFUIXNORM-NEPXVJNWSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN(C)[C@H]3C)CC2)C1 ZINC000346312246 264008458 /nfs/dbraw/zinc/00/84/58/264008458.db2.gz HHIVJNFUIXNORM-NEPXVJNWSA-N 2 1 307.526 3.102 20 0 DGADMP CCOCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346564696 264055096 /nfs/dbraw/zinc/05/50/96/264055096.db2.gz NHFYBDUHGBCFND-DZFIZOCASA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCO1 ZINC000346571378 264056712 /nfs/dbraw/zinc/05/67/12/264056712.db2.gz YSGJCQYAQGUOOP-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCO1 ZINC000346571378 264056714 /nfs/dbraw/zinc/05/67/14/264056714.db2.gz YSGJCQYAQGUOOP-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP COc1ccc(OC(F)F)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000346648902 264072922 /nfs/dbraw/zinc/07/29/22/264072922.db2.gz BRQOVQAKRPARRC-AWEZNQCLSA-N 2 1 316.392 3.102 20 0 DGADMP COc1ccc(OC(F)F)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000346648902 264072923 /nfs/dbraw/zinc/07/29/23/264072923.db2.gz BRQOVQAKRPARRC-AWEZNQCLSA-N 2 1 316.392 3.102 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346669906 264076347 /nfs/dbraw/zinc/07/63/47/264076347.db2.gz JEUOWWWVQRWTNA-QGZVFWFLSA-N 2 1 300.450 3.190 20 0 DGADMP CCCCOc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OC ZINC000346668309 264076359 /nfs/dbraw/zinc/07/63/59/264076359.db2.gz IHNQMBAUCXVYJE-UHFFFAOYSA-N 2 1 308.466 3.291 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346668336 264076638 /nfs/dbraw/zinc/07/66/38/264076638.db2.gz IKBZYRKYCSRKJN-WBVHZDCISA-N 2 1 320.440 3.195 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000346677958 264078707 /nfs/dbraw/zinc/07/87/07/264078707.db2.gz LEXYMKKCTYNSNR-HNNXBMFYSA-N 2 1 304.463 3.010 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000346677958 264078708 /nfs/dbraw/zinc/07/87/08/264078708.db2.gz LEXYMKKCTYNSNR-HNNXBMFYSA-N 2 1 304.463 3.010 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346695108 264081722 /nfs/dbraw/zinc/08/17/22/264081722.db2.gz YHPWWOAOQWIAQV-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)CC(C)(C)C[NH3+] ZINC000346694554 264081801 /nfs/dbraw/zinc/08/18/01/264081801.db2.gz UVUUURPYZZCHAX-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@H]12 ZINC000346822963 264103988 /nfs/dbraw/zinc/10/39/88/264103988.db2.gz JISPVDZGLZKYAH-VDZJLULYSA-N 2 1 311.404 3.057 20 0 DGADMP CCCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346825339 264104584 /nfs/dbraw/zinc/10/45/84/264104584.db2.gz GIAFGHFXWROFGE-JYJNAYRXSA-N 2 1 312.461 3.006 20 0 DGADMP CCCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346825339 264104586 /nfs/dbraw/zinc/10/45/86/264104586.db2.gz GIAFGHFXWROFGE-JYJNAYRXSA-N 2 1 312.461 3.006 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833800 264105166 /nfs/dbraw/zinc/10/51/66/264105166.db2.gz MPRIYBYEYFLJFT-KBPBESRZSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833800 264105167 /nfs/dbraw/zinc/10/51/67/264105167.db2.gz MPRIYBYEYFLJFT-KBPBESRZSA-N 2 1 307.869 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)C[C@H]21 ZINC000346838868 264106515 /nfs/dbraw/zinc/10/65/15/264106515.db2.gz RTFKGMLTMOJIGF-VAMGGRTRSA-N 2 1 307.441 3.308 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346834713 264106785 /nfs/dbraw/zinc/10/67/85/264106785.db2.gz SWPXYACCSIVOKR-QXAKKESOSA-N 2 1 302.462 3.281 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346843024 264107536 /nfs/dbraw/zinc/10/75/36/264107536.db2.gz JFWZJAFWIHMIQL-CWRNSKLLSA-N 2 1 323.278 3.317 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@@H]12 ZINC000346848335 264107935 /nfs/dbraw/zinc/10/79/35/264107935.db2.gz QECPFKZMWCHSBH-CKEIUWERSA-N 2 1 319.880 3.109 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346848981 264108465 /nfs/dbraw/zinc/10/84/65/264108465.db2.gz GBDKZJVVLUAJJM-DBVUQKKJSA-N 2 1 324.472 3.048 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CCC2)cc1 ZINC000346889128 264116288 /nfs/dbraw/zinc/11/62/88/264116288.db2.gz UEALLXMUSMAEFT-CRAIPNDOSA-N 2 1 302.462 3.047 20 0 DGADMP c1cc2c(s1)CC[N@H+](CCNc1cc[nH+]c3ccccc13)C2 ZINC000346939321 264124256 /nfs/dbraw/zinc/12/42/56/264124256.db2.gz HVQPVDPCZUVLOZ-UHFFFAOYSA-N 2 1 309.438 3.188 20 0 DGADMP CCCOc1c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000347003370 264138265 /nfs/dbraw/zinc/13/82/65/264138265.db2.gz LBYORTQMWDQHDV-CVEARBPZSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000347003370 264138266 /nfs/dbraw/zinc/13/82/66/264138266.db2.gz LBYORTQMWDQHDV-CVEARBPZSA-N 2 1 320.477 3.433 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000347027135 264142567 /nfs/dbraw/zinc/14/25/67/264142567.db2.gz UPTVLYNBFORRIW-UHFFFAOYSA-N 2 1 320.868 3.048 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347050567 264147784 /nfs/dbraw/zinc/14/77/84/264147784.db2.gz QVUVVDJFMXKWDK-TZMCWYRMSA-N 2 1 316.367 3.187 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064754 264149958 /nfs/dbraw/zinc/14/99/58/264149958.db2.gz XONIJDOEFNHSPE-HZPDHXFCSA-N 2 1 305.466 3.012 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347063658 264150297 /nfs/dbraw/zinc/15/02/97/264150297.db2.gz CIBSNHSBIWRVFU-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347063658 264150299 /nfs/dbraw/zinc/15/02/99/264150299.db2.gz CIBSNHSBIWRVFU-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)sc1Br ZINC000347072419 264152108 /nfs/dbraw/zinc/15/21/08/264152108.db2.gz QTDVSEKTORTQOT-UHFFFAOYSA-N 2 1 303.269 3.003 20 0 DGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)sc1Br ZINC000347072419 264152110 /nfs/dbraw/zinc/15/21/10/264152110.db2.gz QTDVSEKTORTQOT-UHFFFAOYSA-N 2 1 303.269 3.003 20 0 DGADMP CSc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000347116699 264159795 /nfs/dbraw/zinc/15/97/95/264159795.db2.gz WYEXAOGBUAHSIW-INIZCTEOSA-N 2 1 300.427 3.457 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC000347127206 264161376 /nfs/dbraw/zinc/16/13/76/264161376.db2.gz YSAFUEVGLLUQRM-SFHVURJKSA-N 2 1 302.462 3.426 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347152810 264166052 /nfs/dbraw/zinc/16/60/52/264166052.db2.gz BHWNOXXLLRMZNU-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347152810 264166055 /nfs/dbraw/zinc/16/60/55/264166055.db2.gz BHWNOXXLLRMZNU-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347182085 264171451 /nfs/dbraw/zinc/17/14/51/264171451.db2.gz WBDXIKFBJWTJEB-OAHLLOKOSA-N 2 1 307.457 3.233 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347182085 264171453 /nfs/dbraw/zinc/17/14/53/264171453.db2.gz WBDXIKFBJWTJEB-OAHLLOKOSA-N 2 1 307.457 3.233 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC(C)C ZINC000347217833 264177312 /nfs/dbraw/zinc/17/73/12/264177312.db2.gz RYFMGOIDVAARBE-HOCLYGCPSA-N 2 1 306.450 3.042 20 0 DGADMP C[N@@H+](CCCc1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347308015 264194348 /nfs/dbraw/zinc/19/43/48/264194348.db2.gz MUQBRRGAIRFIRX-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCCc1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347308015 264194350 /nfs/dbraw/zinc/19/43/50/264194350.db2.gz MUQBRRGAIRFIRX-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCCc1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347308015 264194353 /nfs/dbraw/zinc/19/43/53/264194353.db2.gz MUQBRRGAIRFIRX-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](C)c1ccccc1)[C@H](C)CO ZINC000347378307 264209952 /nfs/dbraw/zinc/20/99/52/264209952.db2.gz FJLJAPGJBBCTRO-IAGOWNOFSA-N 2 1 315.461 3.068 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](C)c1ccccc1)[C@H](C)CO ZINC000347378307 264209955 /nfs/dbraw/zinc/20/99/55/264209955.db2.gz FJLJAPGJBBCTRO-IAGOWNOFSA-N 2 1 315.461 3.068 20 0 DGADMP Cc1cccc2ncc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)n21 ZINC000347668196 264264056 /nfs/dbraw/zinc/26/40/56/264264056.db2.gz VRSDOHPBPUVLCL-UHFFFAOYSA-N 2 1 300.450 3.042 20 0 DGADMP CC[N@@H+](CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047553 264328526 /nfs/dbraw/zinc/32/85/26/264328526.db2.gz SWBSRQBFYUWVAZ-QUCCMNQESA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047553 264328528 /nfs/dbraw/zinc/32/85/28/264328528.db2.gz SWBSRQBFYUWVAZ-QUCCMNQESA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047553 264328529 /nfs/dbraw/zinc/32/85/29/264328529.db2.gz SWBSRQBFYUWVAZ-QUCCMNQESA-N 3 1 317.521 3.217 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348088999 264337743 /nfs/dbraw/zinc/33/77/43/264337743.db2.gz TZLUDQCQDJQVTA-NBYUQASBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348113506 264343322 /nfs/dbraw/zinc/34/33/22/264343322.db2.gz XCSKMAWMKCRMRE-KFWWJZLASA-N 2 1 322.415 3.341 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[C@@H]1CCC[NH+]1C ZINC000348116029 264344830 /nfs/dbraw/zinc/34/48/30/264344830.db2.gz URQWYAPWPLUNIU-HBFSDRIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000348116029 264344832 /nfs/dbraw/zinc/34/48/32/264344832.db2.gz URQWYAPWPLUNIU-HBFSDRIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1CC[C@@H]1CCC[N@H+]1C ZINC000348116029 264344835 /nfs/dbraw/zinc/34/48/35/264344835.db2.gz URQWYAPWPLUNIU-HBFSDRIKSA-N 2 1 315.505 3.066 20 0 DGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000348203293 264363457 /nfs/dbraw/zinc/36/34/57/264363457.db2.gz PBFPDMYUEIJIPY-KZNAEPCWSA-N 2 1 319.493 3.497 20 0 DGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000348203293 264363458 /nfs/dbraw/zinc/36/34/58/264363458.db2.gz PBFPDMYUEIJIPY-KZNAEPCWSA-N 2 1 319.493 3.497 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000352527395 265081268 /nfs/dbraw/zinc/08/12/68/265081268.db2.gz ZWKBMSQHDYDZPJ-MRXNPFEDSA-N 2 1 318.852 3.229 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000352527395 265081270 /nfs/dbraw/zinc/08/12/70/265081270.db2.gz ZWKBMSQHDYDZPJ-MRXNPFEDSA-N 2 1 318.852 3.229 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352541425 265082854 /nfs/dbraw/zinc/08/28/54/265082854.db2.gz XQTVPLGZOXHUAE-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352541425 265082856 /nfs/dbraw/zinc/08/28/56/265082856.db2.gz XQTVPLGZOXHUAE-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1OC ZINC000352541462 265082955 /nfs/dbraw/zinc/08/29/55/265082955.db2.gz YDOCKLJQLVXQRG-UHFFFAOYSA-N 2 1 306.450 3.045 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)CC1CCCC1 ZINC000352544607 265083560 /nfs/dbraw/zinc/08/35/60/265083560.db2.gz BJIGDSKJXWGMPC-MRXNPFEDSA-N 2 1 323.506 3.336 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cnc([C@H]2CCCO2)s1)CC1CCCC1 ZINC000352544607 265083563 /nfs/dbraw/zinc/08/35/63/265083563.db2.gz BJIGDSKJXWGMPC-MRXNPFEDSA-N 2 1 323.506 3.336 20 0 DGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352705865 265135746 /nfs/dbraw/zinc/13/57/46/265135746.db2.gz RSTIYZPDJSQUBX-LJQANCHMSA-N 2 1 309.457 3.256 20 0 DGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352748285 265150958 /nfs/dbraw/zinc/15/09/58/265150958.db2.gz ICGXDVLTRMZNFX-KBPBESRZSA-N 2 1 303.475 3.487 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3occc3c2)C[C@H](C)O1 ZINC000352754814 265153009 /nfs/dbraw/zinc/15/30/09/265153009.db2.gz JXKGVLXNHWBDGG-IYBDPMFKSA-N 2 1 316.445 3.412 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCC2 ZINC000352771410 265159510 /nfs/dbraw/zinc/15/95/10/265159510.db2.gz OOGZMCGEQWZWRI-HUUCEWRRSA-N 2 1 323.506 3.032 20 0 DGADMP FC(F)(F)c1cscc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352852353 265198204 /nfs/dbraw/zinc/19/82/04/265198204.db2.gz JRSNVNMJADNUEW-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1cscc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352852353 265198206 /nfs/dbraw/zinc/19/82/06/265198206.db2.gz JRSNVNMJADNUEW-JTQLQIEISA-N 2 1 304.381 3.341 20 0 DGADMP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000352861894 265202023 /nfs/dbraw/zinc/20/20/23/265202023.db2.gz KYILKEZHLBMKSA-CYBMUJFWSA-N 2 1 314.520 3.061 20 0 DGADMP CSc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000352861894 265202024 /nfs/dbraw/zinc/20/20/24/265202024.db2.gz KYILKEZHLBMKSA-CYBMUJFWSA-N 2 1 314.520 3.061 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352964581 265247352 /nfs/dbraw/zinc/24/73/52/265247352.db2.gz DAYKDVNBXBLGBF-ZQIUZPCESA-N 2 1 304.409 3.256 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352964581 265247355 /nfs/dbraw/zinc/24/73/55/265247355.db2.gz DAYKDVNBXBLGBF-ZQIUZPCESA-N 2 1 304.409 3.256 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000353510917 265449949 /nfs/dbraw/zinc/44/99/49/265449949.db2.gz AMXPQYUWVUEOJM-IACUBPJLSA-N 2 1 310.463 3.058 20 0 DGADMP COc1ccsc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355213315 266002160 /nfs/dbraw/zinc/00/21/60/266002160.db2.gz QIKCWXDFUXYHCE-DZGCQCFKSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355213315 266002162 /nfs/dbraw/zinc/00/21/62/266002162.db2.gz QIKCWXDFUXYHCE-DZGCQCFKSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355213315 266002164 /nfs/dbraw/zinc/00/21/64/266002164.db2.gz QIKCWXDFUXYHCE-DZGCQCFKSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355213315 266002165 /nfs/dbraw/zinc/00/21/65/266002165.db2.gz QIKCWXDFUXYHCE-DZGCQCFKSA-N 2 1 306.475 3.205 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000355229107 266008047 /nfs/dbraw/zinc/00/80/47/266008047.db2.gz YGFFNKTZMVOYHF-AYBZRNKSSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2ccccc2o1 ZINC000355229107 266008051 /nfs/dbraw/zinc/00/80/51/266008051.db2.gz YGFFNKTZMVOYHF-AYBZRNKSSA-N 2 1 314.429 3.116 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000191201254 432234208 /nfs/dbraw/zinc/23/42/08/432234208.db2.gz GLDUFYKPAAJKOM-GOEBONIOSA-N 2 1 306.498 3.329 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000191201254 432234212 /nfs/dbraw/zinc/23/42/12/432234212.db2.gz GLDUFYKPAAJKOM-GOEBONIOSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000270376536 432238824 /nfs/dbraw/zinc/23/88/24/432238824.db2.gz VFECTRYCBMZHPH-GOSISDBHSA-N 2 1 320.440 3.447 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000359842751 270998534 /nfs/dbraw/zinc/99/85/34/270998534.db2.gz HXVYMONELJFKPU-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C(C)C)CC3)C2)CC1 ZINC000368022111 271115365 /nfs/dbraw/zinc/11/53/65/271115365.db2.gz NBSQWGQKMAVSDM-SOAGJPPSSA-N 2 1 321.553 3.161 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2O1 ZINC000369539211 271288829 /nfs/dbraw/zinc/28/88/29/271288829.db2.gz HJKUIWSTIAOOAI-SJORKVTESA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2O1 ZINC000369539211 271288832 /nfs/dbraw/zinc/28/88/32/271288832.db2.gz HJKUIWSTIAOOAI-SJORKVTESA-N 2 1 300.446 3.117 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369701192 271311590 /nfs/dbraw/zinc/31/15/90/271311590.db2.gz DHAUVXZAQCQZTH-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000151564245 432255646 /nfs/dbraw/zinc/25/56/46/432255646.db2.gz QVPLLUYVOUWJER-VMUDFCTBSA-N 2 1 310.869 3.426 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423281235 273506284 /nfs/dbraw/zinc/50/62/84/273506284.db2.gz AZQLFKWMYRNLAJ-NSHDSACASA-N 2 1 315.280 3.313 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCOC1 ZINC000247958186 432256556 /nfs/dbraw/zinc/25/65/56/432256556.db2.gz FWDYSHBGEJTUDF-QBYUYEEZSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCOC1 ZINC000247958186 432256559 /nfs/dbraw/zinc/25/65/59/432256559.db2.gz FWDYSHBGEJTUDF-QBYUYEEZSA-N 2 1 308.491 3.146 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000319280745 273599292 /nfs/dbraw/zinc/59/92/92/273599292.db2.gz YKCWLYOCZVMXNA-LJQANCHMSA-N 2 1 302.462 3.481 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247960534 432257602 /nfs/dbraw/zinc/25/76/02/432257602.db2.gz GEAYBUNQWNVUDM-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247960534 432257604 /nfs/dbraw/zinc/25/76/04/432257604.db2.gz GEAYBUNQWNVUDM-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247960534 432257607 /nfs/dbraw/zinc/25/76/07/432257607.db2.gz GEAYBUNQWNVUDM-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cc1 ZINC000420305855 274116586 /nfs/dbraw/zinc/11/65/86/274116586.db2.gz QCKNRDGEOVIUKF-VQTJNVASSA-N 2 1 324.468 3.227 20 0 DGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423394666 274216802 /nfs/dbraw/zinc/21/68/02/274216802.db2.gz MWOKAKAWSZBRQM-LKFCYVNXSA-N 2 1 322.250 3.245 20 0 DGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423394667 274217001 /nfs/dbraw/zinc/21/70/01/274217001.db2.gz MWOKAKAWSZBRQM-XPTSAGLGSA-N 2 1 322.250 3.245 20 0 DGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422885076 274237793 /nfs/dbraw/zinc/23/77/93/274237793.db2.gz TZHIWLOQYBIAKR-UYAOXDASSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000042300307 274340462 /nfs/dbraw/zinc/34/04/62/274340462.db2.gz PZWHNBXTRHIGHN-LALPHHSUSA-N 2 1 311.267 3.267 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2F)[C@@H](C)C1 ZINC000247980570 432258750 /nfs/dbraw/zinc/25/87/50/432258750.db2.gz MJTMSARBQODQGD-YOEHRIQHSA-N 2 1 310.482 3.379 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423170464 274524045 /nfs/dbraw/zinc/52/40/45/274524045.db2.gz MCEKLXAGPKRCIA-QEORTHHSSA-N 2 1 315.442 3.050 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000249062159 275053085 /nfs/dbraw/zinc/05/30/85/275053085.db2.gz PVTLEMFABWNPDF-OKZBNKHCSA-N 2 1 318.461 3.015 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cn2cccn2)C(C)C)c1 ZINC000284153584 276076267 /nfs/dbraw/zinc/07/62/67/276076267.db2.gz PKSPSWYPMBQMCF-LJQANCHMSA-N 2 1 314.477 3.149 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093693357 276105939 /nfs/dbraw/zinc/10/59/39/276105939.db2.gz DQPRJBBGUZDCNH-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093693357 276105940 /nfs/dbraw/zinc/10/59/40/276105940.db2.gz DQPRJBBGUZDCNH-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H](C)C1 ZINC000191855572 276229369 /nfs/dbraw/zinc/22/93/69/276229369.db2.gz KCSJBNNFCOLILW-BVBHFADKSA-N 2 1 302.462 3.084 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C12CCCC2 ZINC000422809090 276355442 /nfs/dbraw/zinc/35/54/42/276355442.db2.gz RHQFBSMJLIISRA-VSZNYVQBSA-N 2 1 300.446 3.459 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000271888505 277023522 /nfs/dbraw/zinc/02/35/22/277023522.db2.gz RIAUOEDVNUPOIJ-INIZCTEOSA-N 2 1 321.262 3.288 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436298214 277052206 /nfs/dbraw/zinc/05/22/06/277052206.db2.gz YEOIBDQSEHUIBL-LEOMRAHMSA-N 2 1 322.493 3.105 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271514273 277333731 /nfs/dbraw/zinc/33/37/31/277333731.db2.gz NPDNXJSQUUCHMN-MGHWNKPDSA-N 2 1 306.425 3.118 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000285679080 277451204 /nfs/dbraw/zinc/45/12/04/277451204.db2.gz NWAJMSGWBFKTOS-ZDUSSCGKSA-N 2 1 310.463 3.061 20 0 DGADMP COc1cccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000290699217 278008680 /nfs/dbraw/zinc/00/86/80/278008680.db2.gz NFPCAQRATOKSQS-RVKKMQEKSA-N 2 1 302.462 3.045 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+]1C ZINC000431335397 278027912 /nfs/dbraw/zinc/02/79/12/278027912.db2.gz YTXYMPQNBTXNDB-LSBZLQRGSA-N 2 1 314.473 3.461 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+]1C ZINC000431335397 278027914 /nfs/dbraw/zinc/02/79/14/278027914.db2.gz YTXYMPQNBTXNDB-LSBZLQRGSA-N 2 1 314.473 3.461 20 0 DGADMP CC(C[NH+]1CCSC(C)(C)C1)C[N@H+]1CCSC(C)(C)C1 ZINC000434906910 278156795 /nfs/dbraw/zinc/15/67/95/278156795.db2.gz YEVGRKSRTNGCOI-UHFFFAOYSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCCCC1 ZINC000344810855 278207097 /nfs/dbraw/zinc/20/70/97/278207097.db2.gz LCPJCMLKPVFHEB-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1csc(Cl)c1 ZINC000248697954 278257405 /nfs/dbraw/zinc/25/74/05/278257405.db2.gz LVAVSYXMQSHAGG-JSGCOSHPSA-N 2 1 316.898 3.289 20 0 DGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718521 278311705 /nfs/dbraw/zinc/31/17/05/278311705.db2.gz PVVZNYPHGJGYDI-UYAOXDASSA-N 2 1 317.521 3.191 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000423259854 278380043 /nfs/dbraw/zinc/38/00/43/278380043.db2.gz FTRFTSARMKJCEJ-RHSMWYFYSA-N 2 1 318.461 3.406 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423121824 278885095 /nfs/dbraw/zinc/88/50/95/278885095.db2.gz JCMJNRXKDJKBLR-LMCOJAPRSA-N 2 1 314.473 3.119 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000261551310 279126506 /nfs/dbraw/zinc/12/65/06/279126506.db2.gz MCJSLCFFWGIDOC-DOVSJBTNSA-N 2 1 321.468 3.384 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000108369918 431135748 /nfs/dbraw/zinc/13/57/48/431135748.db2.gz YMHAEBRRGYVLRD-UHFFFAOYSA-N 2 1 323.868 3.131 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000420986385 279258540 /nfs/dbraw/zinc/25/85/40/279258540.db2.gz YGJAWFCLULWJNR-OALUTQOASA-N 2 1 321.553 3.305 20 0 DGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423280159 279272254 /nfs/dbraw/zinc/27/22/54/279272254.db2.gz SILOMAVNFZZWLH-ABAIWWIYSA-N 2 1 300.368 3.353 20 0 DGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414935728 279354493 /nfs/dbraw/zinc/35/44/93/279354493.db2.gz UQIUQTQYMQVFQQ-ZOWXZIJZSA-N 2 1 300.368 3.397 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000069723938 431216553 /nfs/dbraw/zinc/21/65/53/431216553.db2.gz YKIMHMXJYJLXSU-SNVBAGLBSA-N 2 1 303.269 3.071 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000070170694 431241818 /nfs/dbraw/zinc/24/18/18/431241818.db2.gz TZEIGQPNDIPKKI-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000113513579 431351634 /nfs/dbraw/zinc/35/16/34/431351634.db2.gz ZPAJKXOXMFTJHG-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000073852573 431387069 /nfs/dbraw/zinc/38/70/69/431387069.db2.gz BNKGOUPILWNGOM-AWEZNQCLSA-N 2 1 323.278 3.331 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000076003707 431516267 /nfs/dbraw/zinc/51/62/67/431516267.db2.gz JWPAEGRXUMKDEQ-GOSISDBHSA-N 2 1 304.478 3.428 20 0 DGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076000858 431514273 /nfs/dbraw/zinc/51/42/73/431514273.db2.gz MZNCXABKCZGFTG-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076000858 431514279 /nfs/dbraw/zinc/51/42/79/431514279.db2.gz MZNCXABKCZGFTG-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000076001652 431515147 /nfs/dbraw/zinc/51/51/47/431515147.db2.gz CCCJIIKFMNWXOJ-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000076001652 431515158 /nfs/dbraw/zinc/51/51/58/431515158.db2.gz CCCJIIKFMNWXOJ-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000423055989 280158565 /nfs/dbraw/zinc/15/85/65/280158565.db2.gz XKZKJXVKOGLFTL-YSTOQKLRSA-N 2 1 314.473 3.275 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121437077 431787460 /nfs/dbraw/zinc/78/74/60/431787460.db2.gz LVTBVUTWYJEUPN-HOTGVXAUSA-N 2 1 315.461 3.447 20 0 DGADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1cncs1 ZINC000122773768 431844425 /nfs/dbraw/zinc/84/44/25/431844425.db2.gz PDOFNUGAKCSRLM-CQSZACIVSA-N 2 1 301.459 3.242 20 0 DGADMP Cc1ncc([C@@H](C)NCCC[N@H+]2CCc3ccccc3C2)c(C)n1 ZINC000122774978 431844451 /nfs/dbraw/zinc/84/44/51/431844451.db2.gz ATMKSNJAGFRHFE-OAHLLOKOSA-N 2 1 324.472 3.192 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122821261 431845519 /nfs/dbraw/zinc/84/55/19/431845519.db2.gz CMALNBBLJMBNSY-APWZRJJASA-N 2 1 302.462 3.187 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000122845402 431846005 /nfs/dbraw/zinc/84/60/05/431846005.db2.gz PYHSMFZFMBWNSB-AWEZNQCLSA-N 2 1 316.445 3.125 20 0 DGADMP Brc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037408369 431847092 /nfs/dbraw/zinc/84/70/92/431847092.db2.gz CWEUDZPNKANAPH-SNVBAGLBSA-N 2 1 315.280 3.085 20 0 DGADMP Brc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037408369 431847093 /nfs/dbraw/zinc/84/70/93/431847093.db2.gz CWEUDZPNKANAPH-SNVBAGLBSA-N 2 1 315.280 3.085 20 0 DGADMP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000088549888 431858330 /nfs/dbraw/zinc/85/83/30/431858330.db2.gz WHFSODMUDGUWRN-MRXNPFEDSA-N 2 1 316.445 3.426 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089145426 431860710 /nfs/dbraw/zinc/86/07/10/431860710.db2.gz LPVOYILAYGYKCQ-HZMBPMFUSA-N 2 1 315.230 3.195 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000044535304 431874985 /nfs/dbraw/zinc/87/49/85/431874985.db2.gz PMLDLDQRERJSPQ-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000044535304 431874987 /nfs/dbraw/zinc/87/49/87/431874987.db2.gz PMLDLDQRERJSPQ-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000124343112 431890823 /nfs/dbraw/zinc/89/08/23/431890823.db2.gz WXZOQLIWBCJVRS-HNNXBMFYSA-N 2 1 323.550 3.289 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124366211 431892085 /nfs/dbraw/zinc/89/20/85/431892085.db2.gz RCRQIVUMZGBZNA-OLZOCXBDSA-N 2 1 310.388 3.423 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124366211 431892087 /nfs/dbraw/zinc/89/20/87/431892087.db2.gz RCRQIVUMZGBZNA-OLZOCXBDSA-N 2 1 310.388 3.423 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000090920451 431898001 /nfs/dbraw/zinc/89/80/01/431898001.db2.gz YXJNONUFOFXKHA-NUJGCVRESA-N 2 1 319.468 3.114 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000127479915 431973519 /nfs/dbraw/zinc/97/35/19/431973519.db2.gz ZGJFOVNPKBNYSG-CMPLNLGQSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000127479915 431973521 /nfs/dbraw/zinc/97/35/21/431973521.db2.gz ZGJFOVNPKBNYSG-CMPLNLGQSA-N 2 1 315.230 3.161 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000055059209 431975744 /nfs/dbraw/zinc/97/57/44/431975744.db2.gz OGXJYNZFONIFRP-UHFFFAOYSA-N 2 1 312.498 3.162 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000125490023 431927227 /nfs/dbraw/zinc/92/72/27/431927227.db2.gz YIBOJYHHHVIAAY-PNYFIKQUSA-N 2 1 315.505 3.282 20 0 DGADMP COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000125943220 431938909 /nfs/dbraw/zinc/93/89/09/431938909.db2.gz CQPSJOSSKLHEAM-HOTGVXAUSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000125943220 431938911 /nfs/dbraw/zinc/93/89/11/431938911.db2.gz CQPSJOSSKLHEAM-HOTGVXAUSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000125943220 431938913 /nfs/dbraw/zinc/93/89/13/431938913.db2.gz CQPSJOSSKLHEAM-HOTGVXAUSA-N 2 1 320.477 3.475 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126674933 431955747 /nfs/dbraw/zinc/95/57/47/431955747.db2.gz GRIGWXMULUVHER-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126674933 431955750 /nfs/dbraw/zinc/95/57/50/431955750.db2.gz GRIGWXMULUVHER-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459743115 281349909 /nfs/dbraw/zinc/34/99/09/281349909.db2.gz WEXFEFGKNHSGQI-SJORKVTESA-N 2 1 317.477 3.034 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000191482707 432269759 /nfs/dbraw/zinc/26/97/59/432269759.db2.gz DSKWQBUMOQRPPC-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000191482707 432269763 /nfs/dbraw/zinc/26/97/63/432269763.db2.gz DSKWQBUMOQRPPC-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1 ZINC000248132602 432269967 /nfs/dbraw/zinc/26/99/67/432269967.db2.gz OQGXQAJBJCHFHR-RBUKOAKNSA-N 2 1 304.478 3.273 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000191494377 432270191 /nfs/dbraw/zinc/27/01/91/432270191.db2.gz JDFYOFYXTRIOOR-SUMWQHHRSA-N 2 1 318.486 3.306 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248124278 432270497 /nfs/dbraw/zinc/27/04/97/432270497.db2.gz NSRVRAZZCXXRBD-HKUYNNGSSA-N 2 1 302.462 3.044 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155844 432272886 /nfs/dbraw/zinc/27/28/86/432272886.db2.gz RIRBUQWXQNCSLJ-GOEBONIOSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155844 432272890 /nfs/dbraw/zinc/27/28/90/432272890.db2.gz RIRBUQWXQNCSLJ-GOEBONIOSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155844 432272893 /nfs/dbraw/zinc/27/28/93/432272893.db2.gz RIRBUQWXQNCSLJ-GOEBONIOSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155844 432272897 /nfs/dbraw/zinc/27/28/97/432272897.db2.gz RIRBUQWXQNCSLJ-GOEBONIOSA-N 2 1 308.853 3.135 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000248170092 432273636 /nfs/dbraw/zinc/27/36/36/432273636.db2.gz UOQHNCQPFJCQBH-QFBILLFUSA-N 2 1 316.489 3.236 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000173364371 432274404 /nfs/dbraw/zinc/27/44/04/432274404.db2.gz HRTABBFLYLFFPJ-DNVCBOLYSA-N 2 1 312.461 3.001 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000173364371 432274407 /nfs/dbraw/zinc/27/44/07/432274407.db2.gz HRTABBFLYLFFPJ-DNVCBOLYSA-N 2 1 312.461 3.001 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248411081 432286669 /nfs/dbraw/zinc/28/66/69/432286669.db2.gz HWYCMMFBLULXIX-IPMKNSEASA-N 2 1 314.473 3.056 20 0 DGADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000151914176 432288062 /nfs/dbraw/zinc/28/80/62/432288062.db2.gz WXVCFIDHNKWMDK-CQSZACIVSA-N 2 1 315.230 3.117 20 0 DGADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000151966355 432292103 /nfs/dbraw/zinc/29/21/03/432292103.db2.gz PQSFJJZHOVIUFN-CQSZACIVSA-N 2 1 302.340 3.114 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248459551 432293471 /nfs/dbraw/zinc/29/34/71/432293471.db2.gz VUWPZKNOFOVUPD-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@H+](CCn1ccnc1)Cc1ccccc1Br ZINC000270899317 432301004 /nfs/dbraw/zinc/30/10/04/432301004.db2.gz ZGWIFRFJPBWCED-UHFFFAOYSA-N 2 1 308.223 3.168 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1ccccc1Br ZINC000270899317 432301008 /nfs/dbraw/zinc/30/10/08/432301008.db2.gz ZGWIFRFJPBWCED-UHFFFAOYSA-N 2 1 308.223 3.168 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000152079965 432302608 /nfs/dbraw/zinc/30/26/08/432302608.db2.gz UQYIVARFMVNXTQ-RKVPGOIHSA-N 2 1 308.441 3.303 20 0 DGADMP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)C[NH+]1CCCCC1 ZINC000102423557 431993972 /nfs/dbraw/zinc/99/39/72/431993972.db2.gz KJZVUNBPMXTLDE-MRXNPFEDSA-N 2 1 300.446 3.174 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000128426271 431994217 /nfs/dbraw/zinc/99/42/17/431994217.db2.gz QSPXQKPHKDSIEV-HNNXBMFYSA-N 2 1 309.885 3.018 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000128646163 431997722 /nfs/dbraw/zinc/99/77/22/431997722.db2.gz BPMFAEOGSZMIJP-MRXNPFEDSA-N 2 1 315.461 3.111 20 0 DGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000128644820 431997866 /nfs/dbraw/zinc/99/78/66/431997866.db2.gz NXKJKXLZRBDVAJ-SFHVURJKSA-N 2 1 323.912 3.408 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1C ZINC000191404385 432261896 /nfs/dbraw/zinc/26/18/96/432261896.db2.gz PYPJQPRACBNMLT-UHFFFAOYSA-N 2 1 317.521 3.233 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000248047979 432263340 /nfs/dbraw/zinc/26/33/40/432263340.db2.gz VQHYIHOCPQFVSL-LNLFQRSKSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000248075380 432266507 /nfs/dbraw/zinc/26/65/07/432266507.db2.gz MXBAVBGALUZSQB-BSDSXHPESA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000248075380 432266510 /nfs/dbraw/zinc/26/65/10/432266510.db2.gz MXBAVBGALUZSQB-BSDSXHPESA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000248075380 432266513 /nfs/dbraw/zinc/26/65/13/432266513.db2.gz MXBAVBGALUZSQB-BSDSXHPESA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000151692789 432266828 /nfs/dbraw/zinc/26/68/28/432266828.db2.gz CEXIIPJTXKONKB-GOSISDBHSA-N 2 1 301.478 3.119 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCSc3ccc(OC)cc32)C1 ZINC000248816800 432320523 /nfs/dbraw/zinc/32/05/23/432320523.db2.gz IMMJOQKUBFBOCR-CJNGLKHVSA-N 2 1 306.475 3.164 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000271056291 432323253 /nfs/dbraw/zinc/32/32/53/432323253.db2.gz ZXUWMFCSDSPQJI-UHFFFAOYSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192043792 432327083 /nfs/dbraw/zinc/32/70/83/432327083.db2.gz RWLFVVFZGIDDDQ-IAGOWNOFSA-N 2 1 310.869 3.492 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000192036385 432327505 /nfs/dbraw/zinc/32/75/05/432327505.db2.gz KRSKZUOPPSJHMM-SFHVURJKSA-N 2 1 324.472 3.098 20 0 DGADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000174214208 432330256 /nfs/dbraw/zinc/33/02/56/432330256.db2.gz ZGDQTMMXNXNOCP-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000174214208 432330260 /nfs/dbraw/zinc/33/02/60/432330260.db2.gz ZGDQTMMXNXNOCP-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cscn1 ZINC000271118749 432331896 /nfs/dbraw/zinc/33/18/96/432331896.db2.gz IZMVPBFXGQGGKJ-CQSZACIVSA-N 2 1 319.474 3.324 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152460388 432333799 /nfs/dbraw/zinc/33/37/99/432333799.db2.gz MLEVZVPRLIDAQW-KSSFIOAISA-N 2 1 302.487 3.091 20 0 DGADMP COC[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249046021 432334472 /nfs/dbraw/zinc/33/44/72/432334472.db2.gz WAPDLCUUZOBBDU-OQIJWPOYSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249057314 432335674 /nfs/dbraw/zinc/33/56/74/432335674.db2.gz ZAHWOGQPEXNPIF-BVRUVYRISA-N 2 1 302.462 3.195 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)[C@@H](C)C1 ZINC000249082086 432337533 /nfs/dbraw/zinc/33/75/33/432337533.db2.gz MSMGOMUERAVXHM-BZSNNMDCSA-N 2 1 308.510 3.436 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000271151632 432338742 /nfs/dbraw/zinc/33/87/42/432338742.db2.gz BAOSHZMJCQPTLR-AWEZNQCLSA-N 2 1 302.393 3.469 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000271151632 432338745 /nfs/dbraw/zinc/33/87/45/432338745.db2.gz BAOSHZMJCQPTLR-AWEZNQCLSA-N 2 1 302.393 3.469 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000183951757 432339244 /nfs/dbraw/zinc/33/92/44/432339244.db2.gz QABSMHGNEWFKMJ-OAHLLOKOSA-N 2 1 317.477 3.418 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC000192438965 432374027 /nfs/dbraw/zinc/37/40/27/432374027.db2.gz MEGIDBQPEDJLCI-DLBZAZTESA-N 2 1 302.462 3.017 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000271447720 432397993 /nfs/dbraw/zinc/39/79/93/432397993.db2.gz DDYQCHHGDANMLF-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000271447720 432397998 /nfs/dbraw/zinc/39/79/98/432397998.db2.gz DDYQCHHGDANMLF-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](c1cnccn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000184504759 432398264 /nfs/dbraw/zinc/39/82/64/432398264.db2.gz XYGAYISUZNDGBP-QGZVFWFLSA-N 2 1 324.472 3.382 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCO2 ZINC000192717706 432405557 /nfs/dbraw/zinc/40/55/57/432405557.db2.gz MOICNLSVYDPEDS-HMQMGEFJSA-N 2 1 316.445 3.124 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000261541531 432430935 /nfs/dbraw/zinc/43/09/35/432430935.db2.gz BGEFZJZLXYXNAF-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000261541531 432430937 /nfs/dbraw/zinc/43/09/37/432430937.db2.gz BGEFZJZLXYXNAF-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539572 432431314 /nfs/dbraw/zinc/43/13/14/432431314.db2.gz CUQXEDWPZLPZIV-HOJAQTOUSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000261539572 432431320 /nfs/dbraw/zinc/43/13/20/432431320.db2.gz CUQXEDWPZLPZIV-HOJAQTOUSA-N 2 1 315.505 3.161 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@@H]21 ZINC000261616094 432435630 /nfs/dbraw/zinc/43/56/30/432435630.db2.gz BRJGAKGVUQIOGQ-YZGWKJHDSA-N 2 1 310.441 3.278 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@H]1CCOC1 ZINC000153724117 432436307 /nfs/dbraw/zinc/43/63/07/432436307.db2.gz OQNAEVFDFGJFCA-DOTOQJQBSA-N 2 1 317.408 3.225 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(N)c2)C1 ZINC000261686822 432440994 /nfs/dbraw/zinc/44/09/94/432440994.db2.gz MMCRGXQQUDWMDR-SJLPKXTDSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261686822 432440998 /nfs/dbraw/zinc/44/09/98/432440998.db2.gz MMCRGXQQUDWMDR-SJLPKXTDSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261686822 432441002 /nfs/dbraw/zinc/44/10/02/432441002.db2.gz MMCRGXQQUDWMDR-SJLPKXTDSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153815645 432444257 /nfs/dbraw/zinc/44/42/57/432444257.db2.gz RYGPVIJQBMGFPV-DSLXNQLJSA-N 2 1 302.462 3.084 20 0 DGADMP CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000261719599 432444965 /nfs/dbraw/zinc/44/49/65/432444965.db2.gz PXTRJMYLALHCFJ-UHFFFAOYSA-N 2 1 323.868 3.133 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]12 ZINC000261736454 432446060 /nfs/dbraw/zinc/44/60/60/432446060.db2.gz RTELSAUDVKXXIW-DUFXMDAXSA-N 2 1 302.315 3.014 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]12 ZINC000261736454 432446065 /nfs/dbraw/zinc/44/60/65/432446065.db2.gz RTELSAUDVKXXIW-DUFXMDAXSA-N 2 1 302.315 3.014 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000193146605 432454542 /nfs/dbraw/zinc/45/45/42/432454542.db2.gz ICRGETMNGFQFKN-MNEFBYGVSA-N 2 1 316.489 3.168 20 0 DGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192761481 432410287 /nfs/dbraw/zinc/41/02/87/432410287.db2.gz CLYVXEMZENREML-MOPGFXCFSA-N 2 1 309.542 3.303 20 0 DGADMP CC(C)C[C@@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192773109 432412513 /nfs/dbraw/zinc/41/25/13/432412513.db2.gz UOTSWXNKMIDCKR-IBGZPJMESA-N 2 1 309.542 3.303 20 0 DGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnn2ccccc12 ZINC000185159073 432473513 /nfs/dbraw/zinc/47/35/13/432473513.db2.gz SOLIHLOFOSGTGP-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000193461529 432473807 /nfs/dbraw/zinc/47/38/07/432473807.db2.gz UENWPKAWDPOPGB-KRWDZBQOSA-N 2 1 317.477 3.069 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136201 432475138 /nfs/dbraw/zinc/47/51/38/432475138.db2.gz YSJJJXFWKYCKDW-CJNGLKHVSA-N 2 1 323.278 3.238 20 0 DGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136201 432475141 /nfs/dbraw/zinc/47/51/41/432475141.db2.gz YSJJJXFWKYCKDW-CJNGLKHVSA-N 2 1 323.278 3.238 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136200 432475712 /nfs/dbraw/zinc/47/57/12/432475712.db2.gz YSJJJXFWKYCKDW-BBRMVZONSA-N 2 1 323.278 3.238 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136200 432475713 /nfs/dbraw/zinc/47/57/13/432475713.db2.gz YSJJJXFWKYCKDW-BBRMVZONSA-N 2 1 323.278 3.238 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000262391763 432484576 /nfs/dbraw/zinc/48/45/76/432484576.db2.gz ZYYCJMZJUBWKPJ-VHDGCEQUSA-N 2 1 314.351 3.144 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000154479769 432500806 /nfs/dbraw/zinc/50/08/06/432500806.db2.gz PPUWYROCTOZTBP-OALUTQOASA-N 2 1 309.542 3.209 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261921634 432460957 /nfs/dbraw/zinc/46/09/57/432460957.db2.gz KNFJPDVAGSJWMV-UHFFFAOYSA-N 2 1 302.462 3.222 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000261950756 432464478 /nfs/dbraw/zinc/46/44/78/432464478.db2.gz NXABJSVNYRSXAP-YJBOKZPZSA-N 2 1 310.445 3.019 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000261950756 432464482 /nfs/dbraw/zinc/46/44/82/432464482.db2.gz NXABJSVNYRSXAP-YJBOKZPZSA-N 2 1 310.445 3.019 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1OC(F)F ZINC000261962827 432465990 /nfs/dbraw/zinc/46/59/90/432465990.db2.gz HNQNMQHIKPFYIT-QGZVFWFLSA-N 2 1 310.388 3.090 20 0 DGADMP Clc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262038165 432470107 /nfs/dbraw/zinc/47/01/07/432470107.db2.gz XXUNWDOVUTYRSN-HUUCEWRRSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262038165 432470112 /nfs/dbraw/zinc/47/01/12/432470112.db2.gz XXUNWDOVUTYRSN-HUUCEWRRSA-N 2 1 308.853 3.183 20 0 DGADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(-c4c(F)cccc4F)o3)C[C@H]2C1 ZINC000194541955 432560051 /nfs/dbraw/zinc/56/00/51/432560051.db2.gz CIECQEGPWOAAFY-BETUJISGSA-N 2 1 318.367 3.218 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186126652 432560782 /nfs/dbraw/zinc/56/07/82/432560782.db2.gz MMPVKABFTSYXQV-IBGZPJMESA-N 2 1 316.489 3.381 20 0 DGADMP Cc1cc(NC2CC[NH+](C)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000272495172 432513325 /nfs/dbraw/zinc/51/33/25/432513325.db2.gz CYLPMZKZMKVXKU-HNNXBMFYSA-N 2 1 302.466 3.275 20 0 DGADMP C[C@H]([NH2+]CCCC(C)(C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272540470 432520857 /nfs/dbraw/zinc/52/08/57/432520857.db2.gz CLABLKYKOYRTDV-HKUYNNGSSA-N 2 1 318.505 3.285 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000154847316 432524900 /nfs/dbraw/zinc/52/49/00/432524900.db2.gz DQKIAUWGGPOEPM-SJLPKXTDSA-N 2 1 304.478 3.336 20 0 DGADMP FC(F)(F)C1CCC(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000186587827 432610706 /nfs/dbraw/zinc/61/07/06/432610706.db2.gz SANNUFYAIPFOGV-ROKHWSDSSA-N 2 1 304.400 3.429 20 0 DGADMP Cc1ccc(C)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000195250655 432614166 /nfs/dbraw/zinc/61/41/66/432614166.db2.gz RQTWMOBFXJTAAW-HDICACEKSA-N 2 1 304.478 3.282 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000157929970 432632384 /nfs/dbraw/zinc/63/23/84/432632384.db2.gz MQFAPPXLHQTJPF-QUCCMNQESA-N 2 1 318.505 3.346 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000186843927 432633299 /nfs/dbraw/zinc/63/32/99/432633299.db2.gz PJLWRQTUHAHRTD-SNPRPXQTSA-N 2 1 300.368 3.405 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178973037 288395806 /nfs/dbraw/zinc/39/58/06/288395806.db2.gz ZYSRTRNKHUOFIU-DYVFJYSZSA-N 2 1 308.853 3.101 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000158683470 432655408 /nfs/dbraw/zinc/65/54/08/432655408.db2.gz WVQWJHZJVHXVTG-ZACQAIPSSA-N 2 1 306.498 3.483 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158680867 432656136 /nfs/dbraw/zinc/65/61/36/432656136.db2.gz VHEAJJVMEOKEBR-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158680867 432656141 /nfs/dbraw/zinc/65/61/41/432656141.db2.gz VHEAJJVMEOKEBR-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158680867 432656145 /nfs/dbraw/zinc/65/61/45/432656145.db2.gz VHEAJJVMEOKEBR-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158680867 432656149 /nfs/dbraw/zinc/65/61/49/432656149.db2.gz VHEAJJVMEOKEBR-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158680867 432656153 /nfs/dbraw/zinc/65/61/53/432656153.db2.gz VHEAJJVMEOKEBR-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847521 432661589 /nfs/dbraw/zinc/66/15/89/432661589.db2.gz RIRBUQWXQNCSLJ-ZBFHGGJFSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847521 432661592 /nfs/dbraw/zinc/66/15/92/432661592.db2.gz RIRBUQWXQNCSLJ-ZBFHGGJFSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847521 432661595 /nfs/dbraw/zinc/66/15/95/432661595.db2.gz RIRBUQWXQNCSLJ-ZBFHGGJFSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847521 432661599 /nfs/dbraw/zinc/66/15/99/432661599.db2.gz RIRBUQWXQNCSLJ-ZBFHGGJFSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847521 432661603 /nfs/dbraw/zinc/66/16/03/432661603.db2.gz RIRBUQWXQNCSLJ-ZBFHGGJFSA-N 2 1 308.853 3.135 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000220349511 432665059 /nfs/dbraw/zinc/66/50/59/432665059.db2.gz VKMRLYPHHWUYCM-SQWLQELKSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000220349511 432665061 /nfs/dbraw/zinc/66/50/61/432665061.db2.gz VKMRLYPHHWUYCM-SQWLQELKSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000158960393 432665091 /nfs/dbraw/zinc/66/50/91/432665091.db2.gz ZYFAUJFQPVFBNF-ZWKOTPCHSA-N 2 1 304.478 3.047 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cc(C)cc(C)c2)C1 ZINC000177832794 432666409 /nfs/dbraw/zinc/66/64/09/432666409.db2.gz AHLRGSXUVOLSBF-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000177832794 432666412 /nfs/dbraw/zinc/66/64/12/432666412.db2.gz AHLRGSXUVOLSBF-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000177832794 432666415 /nfs/dbraw/zinc/66/64/15/432666415.db2.gz AHLRGSXUVOLSBF-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP COC[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159049403 432668412 /nfs/dbraw/zinc/66/84/12/432668412.db2.gz KULRNZIGTFAKTF-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159049403 432668417 /nfs/dbraw/zinc/66/84/17/432668417.db2.gz KULRNZIGTFAKTF-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159049403 432668422 /nfs/dbraw/zinc/66/84/22/432668422.db2.gz KULRNZIGTFAKTF-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H](NCc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102136 432695159 /nfs/dbraw/zinc/69/51/59/432695159.db2.gz MWHYLSRLYDSDEV-YOEHRIQHSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCN1C ZINC000178102136 432695160 /nfs/dbraw/zinc/69/51/60/432695160.db2.gz MWHYLSRLYDSDEV-YOEHRIQHSA-N 2 1 318.461 3.214 20 0 DGADMP O=c1[nH]c2ccccc2cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000265524432 432708580 /nfs/dbraw/zinc/70/85/80/432708580.db2.gz IHFILVSWEDLQMG-UHFFFAOYSA-N 2 1 311.429 3.047 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274864589 432719277 /nfs/dbraw/zinc/71/92/77/432719277.db2.gz DOHXCBQQLHDXOM-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000228535303 432719464 /nfs/dbraw/zinc/71/94/64/432719464.db2.gz DSNWKKKMNMTHJV-SQWLQELKSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000228535303 432719470 /nfs/dbraw/zinc/71/94/70/432719470.db2.gz DSNWKKKMNMTHJV-SQWLQELKSA-N 2 1 323.278 3.317 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178335675 432722087 /nfs/dbraw/zinc/72/20/87/432722087.db2.gz TVBQEJLSIGMFBU-YQVWRLOYSA-N 2 1 304.478 3.444 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178335675 432722090 /nfs/dbraw/zinc/72/20/90/432722090.db2.gz TVBQEJLSIGMFBU-YQVWRLOYSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275099511 432722553 /nfs/dbraw/zinc/72/25/53/432722553.db2.gz CKMMTJMQBHAAQZ-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3)C[C@@H]21 ZINC000230125989 432724249 /nfs/dbraw/zinc/72/42/49/432724249.db2.gz GRHJGLQPVFLQOR-VHDGCEQUSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@@H]21 ZINC000230125989 432724250 /nfs/dbraw/zinc/72/42/50/432724250.db2.gz GRHJGLQPVFLQOR-VHDGCEQUSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)cs3)C[C@@H]21 ZINC000230046816 432724539 /nfs/dbraw/zinc/72/45/39/432724539.db2.gz RKCOWNYZJNJNDV-JIMOISOXSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@@H]21 ZINC000230046816 432724543 /nfs/dbraw/zinc/72/45/43/432724543.db2.gz RKCOWNYZJNJNDV-JIMOISOXSA-N 2 1 315.280 3.070 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257811 432724681 /nfs/dbraw/zinc/72/46/81/432724681.db2.gz JKLITFXQINCUJJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257811 432724683 /nfs/dbraw/zinc/72/46/83/432724683.db2.gz JKLITFXQINCUJJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257811 432724686 /nfs/dbraw/zinc/72/46/86/432724686.db2.gz JKLITFXQINCUJJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257811 432724687 /nfs/dbraw/zinc/72/46/87/432724687.db2.gz JKLITFXQINCUJJ-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCC1 ZINC000177924050 432674750 /nfs/dbraw/zinc/67/47/50/432674750.db2.gz GZVCNTOYGMSASV-FXAWDEMLSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681018 /nfs/dbraw/zinc/68/10/18/432681018.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681024 /nfs/dbraw/zinc/68/10/24/432681024.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681028 /nfs/dbraw/zinc/68/10/28/432681028.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681030 /nfs/dbraw/zinc/68/10/30/432681030.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681033 /nfs/dbraw/zinc/68/10/33/432681033.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2cccc(C[N@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681038 /nfs/dbraw/zinc/68/10/38/432681038.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681041 /nfs/dbraw/zinc/68/10/41/432681041.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681043 /nfs/dbraw/zinc/68/10/43/432681043.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977521 432681048 /nfs/dbraw/zinc/68/10/48/432681048.db2.gz ARHIJUGODGPOQD-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2nn(CC)c3ccccc23)C1 ZINC000274600302 432687993 /nfs/dbraw/zinc/68/79/93/432687993.db2.gz QXTCDACIUCFDTC-MRXNPFEDSA-N 2 1 314.477 3.220 20 0 DGADMP COCCC1(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCCCC1 ZINC000189144702 432767184 /nfs/dbraw/zinc/76/71/84/432767184.db2.gz VFXVEXQYZKTPAY-INIZCTEOSA-N 2 1 307.482 3.404 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(F)c1 ZINC000178696640 432767800 /nfs/dbraw/zinc/76/78/00/432767800.db2.gz DKGPHMPUCRZPKG-OLZOCXBDSA-N 2 1 305.397 3.326 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178696797 432768186 /nfs/dbraw/zinc/76/81/86/432768186.db2.gz MBVRIIXTXHXXNV-LSDHHAIUSA-N 2 1 301.434 3.057 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)[C@H](C)C1 ZINC000178756527 432775132 /nfs/dbraw/zinc/77/51/32/432775132.db2.gz HLUBWHCDZYKYIZ-JTDSTZFVSA-N 2 1 320.477 3.180 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275499487 432726939 /nfs/dbraw/zinc/72/69/39/432726939.db2.gz MAWFRAJDKPTPEC-AABGKKOBSA-N 2 1 316.489 3.149 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000237202132 432781601 /nfs/dbraw/zinc/78/16/01/432781601.db2.gz KONOBYFPYZSUCD-SJLPKXTDSA-N 2 1 304.478 3.336 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000162313479 432819914 /nfs/dbraw/zinc/81/99/14/432819914.db2.gz FCECLGVUDOHVTB-AWEZNQCLSA-N 2 1 314.433 3.314 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc2ccccc21 ZINC000267277573 432828840 /nfs/dbraw/zinc/82/88/40/432828840.db2.gz UOSPLYGXAPJJCO-MRXNPFEDSA-N 2 1 312.457 3.337 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C(C3CC3)C3CC3)CC2)oc1C ZINC000162735362 432832415 /nfs/dbraw/zinc/83/24/15/432832415.db2.gz SVSXQPMVGYBIOT-UHFFFAOYSA-N 2 1 317.477 3.282 20 0 DGADMP CC[C@H]1C[NH+](CCC[N@@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000245455334 432833435 /nfs/dbraw/zinc/83/34/35/432833435.db2.gz SLPKSNFILBDCCV-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP CC[C@H]1C[NH+](CCC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000245455334 432833437 /nfs/dbraw/zinc/83/34/37/432833437.db2.gz SLPKSNFILBDCCV-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3(C)CC3)CC2)oc1C ZINC000162772529 432834756 /nfs/dbraw/zinc/83/47/56/432834756.db2.gz CNFJEAXXJDTROT-OAHLLOKOSA-N 2 1 305.466 3.282 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000162885802 432838195 /nfs/dbraw/zinc/83/81/95/432838195.db2.gz VYXIPIUJDNCQED-GOSISDBHSA-N 2 1 313.445 3.470 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000162885802 432838198 /nfs/dbraw/zinc/83/81/98/432838198.db2.gz VYXIPIUJDNCQED-GOSISDBHSA-N 2 1 313.445 3.470 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000276465426 432810684 /nfs/dbraw/zinc/81/06/84/432810684.db2.gz XOWUSFSBMRKYRQ-ISARSNTHSA-N 2 1 302.462 3.054 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000277593668 432863414 /nfs/dbraw/zinc/86/34/14/432863414.db2.gz VDBQLCUTWLPECK-OAHLLOKOSA-N 2 1 312.404 3.247 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000277593668 432863416 /nfs/dbraw/zinc/86/34/16/432863416.db2.gz VDBQLCUTWLPECK-OAHLLOKOSA-N 2 1 312.404 3.247 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278417091 432895716 /nfs/dbraw/zinc/89/57/16/432895716.db2.gz FUNHYSAORJAGIU-MSOLQXFVSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278417091 432895717 /nfs/dbraw/zinc/89/57/17/432895717.db2.gz FUNHYSAORJAGIU-MSOLQXFVSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245985872 432873788 /nfs/dbraw/zinc/87/37/88/432873788.db2.gz QCHSGJSMSBCSGH-SJORKVTESA-N 2 1 306.498 3.152 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245985872 432873789 /nfs/dbraw/zinc/87/37/89/432873789.db2.gz QCHSGJSMSBCSGH-SJORKVTESA-N 2 1 306.498 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000246038656 432875135 /nfs/dbraw/zinc/87/51/35/432875135.db2.gz NKXRFGNPZXBXQN-YYQUZTFQSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000246038656 432875136 /nfs/dbraw/zinc/87/51/36/432875136.db2.gz NKXRFGNPZXBXQN-YYQUZTFQSA-N 2 1 308.853 3.242 20 0 DGADMP C/C(=C\c1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277954334 432879559 /nfs/dbraw/zinc/87/95/59/432879559.db2.gz RQOUDZVAXNSOSJ-UMADGWCESA-N 2 1 302.462 3.180 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCS2 ZINC000296297865 432894544 /nfs/dbraw/zinc/89/45/44/432894544.db2.gz FUHMVCGFORTYSW-DSZSVDOYSA-N 2 1 318.486 3.447 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163102032 432843252 /nfs/dbraw/zinc/84/32/52/432843252.db2.gz DFNTWKQVEKMMJQ-KRWDZBQOSA-N 2 1 313.445 3.470 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163102032 432843256 /nfs/dbraw/zinc/84/32/56/432843256.db2.gz DFNTWKQVEKMMJQ-KRWDZBQOSA-N 2 1 313.445 3.470 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](COCc2ccccc2)C1 ZINC000163155317 432844447 /nfs/dbraw/zinc/84/44/47/432844447.db2.gz PWUSXUVVCOQSMM-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)[C@@H](C)C1 ZINC000245606312 432848790 /nfs/dbraw/zinc/84/87/90/432848790.db2.gz RGECXNJOKIHKIU-SUMWQHHRSA-N 2 1 308.416 3.316 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000245640354 432851205 /nfs/dbraw/zinc/85/12/05/432851205.db2.gz XHVWUIPWFWDOIS-XMTFNYHQSA-N 2 1 306.494 3.044 20 0 DGADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000163458808 432853296 /nfs/dbraw/zinc/85/32/96/432853296.db2.gz BLZHSEDKXXBKQR-OAHLLOKOSA-N 2 1 317.477 3.245 20 0 DGADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[C@H](C)O ZINC000245671911 432853932 /nfs/dbraw/zinc/85/39/32/432853932.db2.gz HMTBJNNHLPJVNR-LWASTNQWSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000279007731 432925931 /nfs/dbraw/zinc/92/59/31/432925931.db2.gz SNBJPKOWPUKGAD-BIENJYKASA-N 2 1 313.420 3.498 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCO2 ZINC000279049082 432929729 /nfs/dbraw/zinc/92/97/29/432929729.db2.gz XXZMDJDXZWQQOM-WMLDXEAASA-N 2 1 311.429 3.121 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000289224762 432935913 /nfs/dbraw/zinc/93/59/13/432935913.db2.gz JPDWQCHJNKNKRK-KRWDZBQOSA-N 2 1 304.503 3.036 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000296325125 432896446 /nfs/dbraw/zinc/89/64/46/432896446.db2.gz FZKWYFPRYOWHIY-JSGCOSHPSA-N 2 1 316.836 3.161 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000296395242 432903214 /nfs/dbraw/zinc/90/32/14/432903214.db2.gz LFRMLUWCOSSHAI-MAUKXSAKSA-N 2 1 304.503 3.301 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000296395250 432903267 /nfs/dbraw/zinc/90/32/67/432903267.db2.gz LFRMLUWCOSSHAI-YJBOKZPZSA-N 2 1 304.503 3.301 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCn2ccnc21 ZINC000296487942 432913916 /nfs/dbraw/zinc/91/39/16/432913916.db2.gz PMSJKNDUFSSHCZ-ZWKOTPCHSA-N 2 1 324.472 3.218 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289085580 432920794 /nfs/dbraw/zinc/92/07/94/432920794.db2.gz BEJQTVFNQPFLPQ-XLIONFOSSA-N 2 1 315.505 3.242 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(F)ncc2F)C1 ZINC000296545708 432921495 /nfs/dbraw/zinc/92/14/95/432921495.db2.gz UBRFFULJGZSYEX-OKILXGFUSA-N 2 1 311.420 3.208 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000279715840 432990744 /nfs/dbraw/zinc/99/07/44/432990744.db2.gz LNLRHMQCMPSQDV-LMMKCTJWSA-N 2 1 304.478 3.473 20 0 DGADMP C[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000289393973 432953607 /nfs/dbraw/zinc/95/36/07/432953607.db2.gz FMJFVISCIXNIHT-MRXNPFEDSA-N 2 1 323.912 3.013 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000349420813 432958188 /nfs/dbraw/zinc/95/81/88/432958188.db2.gz RYEDEAWHLVWEOQ-UHFFFAOYSA-N 2 1 316.449 3.286 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000349420813 432958193 /nfs/dbraw/zinc/95/81/93/432958193.db2.gz RYEDEAWHLVWEOQ-UHFFFAOYSA-N 2 1 316.449 3.286 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000349423720 432958945 /nfs/dbraw/zinc/95/89/45/432958945.db2.gz MJSBNYVSJFKQDO-HKUYNNGSSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290158950 433004397 /nfs/dbraw/zinc/00/43/97/433004397.db2.gz LVUAVLMGEXKMCR-MISYRCLQSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000290223274 433014870 /nfs/dbraw/zinc/01/48/70/433014870.db2.gz RABPCTPDOXKTGG-YSIASYRMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000290234242 433018873 /nfs/dbraw/zinc/01/88/73/433018873.db2.gz ITVZLUGYYRFXNC-UTKZUKDTSA-N 2 1 324.468 3.363 20 0 DGADMP CC(C)C(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290277630 433025253 /nfs/dbraw/zinc/02/52/53/433025253.db2.gz LZPAEWZZIOUNSS-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290287240 433027507 /nfs/dbraw/zinc/02/75/07/433027507.db2.gz XRRXNBPWJQIYJL-YQVWRLOYSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000349965250 433042837 /nfs/dbraw/zinc/04/28/37/433042837.db2.gz FKOCBOODJCSFAA-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280441195 433051745 /nfs/dbraw/zinc/05/17/45/433051745.db2.gz NBLSKPQUAJBWRV-YTQUADARSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280441195 433051749 /nfs/dbraw/zinc/05/17/49/433051749.db2.gz NBLSKPQUAJBWRV-YTQUADARSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@@H](c1ccccn1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280441195 433051752 /nfs/dbraw/zinc/05/17/52/433051752.db2.gz NBLSKPQUAJBWRV-YTQUADARSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@@H](c1ccccn1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280441195 433051755 /nfs/dbraw/zinc/05/17/55/433051755.db2.gz NBLSKPQUAJBWRV-YTQUADARSA-N 2 1 307.441 3.206 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000423032927 289094326 /nfs/dbraw/zinc/09/43/26/289094326.db2.gz FUCLCGBRGGKRMI-RCCFBDPRSA-N 3 1 307.526 3.009 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449133515 289152794 /nfs/dbraw/zinc/15/27/94/289152794.db2.gz YSJDNHQCPCGRBN-IBGZPJMESA-N 2 1 321.553 3.353 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290452326 433053839 /nfs/dbraw/zinc/05/38/39/433053839.db2.gz MIVHYANJWMIGFZ-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)CC3 ZINC000156317840 292727916 /nfs/dbraw/zinc/72/79/16/292727916.db2.gz YLCCCJHJTKKMGU-QRWLVFNGSA-N 2 1 311.473 3.263 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(O)c1OC ZINC000290515019 433074205 /nfs/dbraw/zinc/07/42/05/433074205.db2.gz PURMCQVXXMUCIP-UHFFFAOYSA-N 2 1 317.433 3.072 20 0 DGADMP COc1ccc2oc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)cc2c1 ZINC000290538009 433086432 /nfs/dbraw/zinc/08/64/32/433086432.db2.gz RBXCTCDKXBPZEY-GUYCJALGSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)cc2c1 ZINC000290538009 433086441 /nfs/dbraw/zinc/08/64/41/433086441.db2.gz RBXCTCDKXBPZEY-GUYCJALGSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2c1 ZINC000290538009 433086449 /nfs/dbraw/zinc/08/64/49/433086449.db2.gz RBXCTCDKXBPZEY-GUYCJALGSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1 ZINC000290538009 433086460 /nfs/dbraw/zinc/08/64/60/433086460.db2.gz RBXCTCDKXBPZEY-GUYCJALGSA-N 2 1 302.418 3.213 20 0 DGADMP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354452329 433092648 /nfs/dbraw/zinc/09/26/48/433092648.db2.gz HLHUTQXUQKQJMK-LBPRGKRZSA-N 2 1 320.462 3.133 20 0 DGADMP CC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](C)O ZINC000453328412 433096796 /nfs/dbraw/zinc/09/67/96/433096796.db2.gz PLZUNMSDUIPYQD-RXQRSOPUSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350273136 433121422 /nfs/dbraw/zinc/12/14/22/433121422.db2.gz ZITMYOXROZGTFR-WMZOPIPTSA-N 2 1 317.477 3.045 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000361347581 433122976 /nfs/dbraw/zinc/12/29/76/433122976.db2.gz WJMNAAGNHHLSPY-QFBILLFUSA-N 2 1 316.489 3.091 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000361346730 433123213 /nfs/dbraw/zinc/12/32/13/433123213.db2.gz QEQDWYBXHORPRM-MBOZVWFJSA-N 2 1 316.489 3.307 20 0 DGADMP Cc1csc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000280647484 433123228 /nfs/dbraw/zinc/12/32/28/433123228.db2.gz ZWBJHVBBWVQSDA-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420308009 433154328 /nfs/dbraw/zinc/15/43/28/433154328.db2.gz JNMQFTYCKBFJGJ-CQSZACIVSA-N 2 1 318.852 3.087 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(F)(F)F)cc1 ZINC000298437474 433136583 /nfs/dbraw/zinc/13/65/83/433136583.db2.gz NGLGVRQBASMWKI-NSHDSACASA-N 2 1 313.323 3.212 20 0 DGADMP CCS[C@H]1CCCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296115 433146919 /nfs/dbraw/zinc/14/69/19/433146919.db2.gz DCMKLUZOKMHAEZ-WMZOPIPTSA-N 2 1 322.518 3.345 20 0 DGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420297807 433147075 /nfs/dbraw/zinc/14/70/75/433147075.db2.gz GGGDHHNYSBENMT-SJORKVTESA-N 2 1 317.477 3.115 20 0 DGADMP CC(C)C[N@H+]1CCO[C@@H](CNc2nccc3ccc(F)cc32)C1 ZINC000354566887 433149252 /nfs/dbraw/zinc/14/92/52/433149252.db2.gz MYLAZUHARXPZOW-INIZCTEOSA-N 2 1 317.408 3.143 20 0 DGADMP CC(C)CN1CCO[C@@H](CNc2nccc3ccc(F)cc32)C1 ZINC000354566887 433149266 /nfs/dbraw/zinc/14/92/66/433149266.db2.gz MYLAZUHARXPZOW-INIZCTEOSA-N 2 1 317.408 3.143 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC000420293743 433149769 /nfs/dbraw/zinc/14/97/69/433149769.db2.gz AGCIETZWLLYEQH-QAPCUYQASA-N 2 1 310.441 3.357 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000354562802 433150969 /nfs/dbraw/zinc/15/09/69/433150969.db2.gz HADRSRZEXBBLTB-HFCFLWKCSA-N 2 1 324.509 3.208 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000354562802 433150980 /nfs/dbraw/zinc/15/09/80/433150980.db2.gz HADRSRZEXBBLTB-HFCFLWKCSA-N 2 1 324.509 3.208 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@@H](C)C1 ZINC000290572944 433101392 /nfs/dbraw/zinc/10/13/92/433101392.db2.gz FIXIJODVOBPTHN-YJBOKZPZSA-N 2 1 302.462 3.047 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000350156193 433102207 /nfs/dbraw/zinc/10/22/07/433102207.db2.gz QHCSOLPGCNKPQC-HOTGVXAUSA-N 2 1 308.441 3.319 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCCO2 ZINC000453339882 433103868 /nfs/dbraw/zinc/10/38/68/433103868.db2.gz HBHZEUZTPNVQEP-KRWWSPQJSA-N 2 1 316.445 3.124 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCCO2 ZINC000453339882 433103880 /nfs/dbraw/zinc/10/38/80/433103880.db2.gz HBHZEUZTPNVQEP-KRWWSPQJSA-N 2 1 316.445 3.124 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000350178660 433103925 /nfs/dbraw/zinc/10/39/25/433103925.db2.gz ZOBUNCMRPTXUBB-UHFFFAOYSA-N 2 1 300.450 3.117 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000290588677 433109047 /nfs/dbraw/zinc/10/90/47/433109047.db2.gz VCSBDXQZKRQOJB-GOSISDBHSA-N 2 1 318.461 3.143 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@H](N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000453358051 433116384 /nfs/dbraw/zinc/11/63/84/433116384.db2.gz JQZCUTYJNDPWJP-IAGOWNOFSA-N 2 1 309.542 3.159 20 0 DGADMP c1ccc(SC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420307600 433155095 /nfs/dbraw/zinc/15/50/95/433155095.db2.gz RNMKXIFMYGUGMC-DLBZAZTESA-N 2 1 304.503 3.490 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000420309144 433155242 /nfs/dbraw/zinc/15/52/42/433155242.db2.gz OJDNZCMRZMCHSE-SQWLQELKSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000420309144 433155249 /nfs/dbraw/zinc/15/52/49/433155249.db2.gz OJDNZCMRZMCHSE-SQWLQELKSA-N 2 1 308.853 3.296 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)nc2c1 ZINC000420308939 433156608 /nfs/dbraw/zinc/15/66/08/433156608.db2.gz SOPSCWIFRLYXGZ-HIFRSBDPSA-N 2 1 301.459 3.433 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420316525 433159589 /nfs/dbraw/zinc/15/95/89/433159589.db2.gz SXCQQKUUUZXIHN-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP c1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC2CCOCC2)cc1 ZINC000420312853 433160457 /nfs/dbraw/zinc/16/04/57/433160457.db2.gz XKFJTLJJAPOUDC-SFHVURJKSA-N 2 1 316.489 3.305 20 0 DGADMP CCc1csc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420313995 433162301 /nfs/dbraw/zinc/16/23/01/433162301.db2.gz JPLXLNIAQATACG-HUUCEWRRSA-N 2 1 307.507 3.275 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420316688 433162606 /nfs/dbraw/zinc/16/26/06/433162606.db2.gz MDOJOIZLQGQWQB-FUNVUKJBSA-N 2 1 312.816 3.073 20 0 DGADMP CC(C)C1CCC(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420328265 433165192 /nfs/dbraw/zinc/16/51/92/433165192.db2.gz ZTGIOWHWLYNKAN-XEVCZEQESA-N 2 1 321.553 3.209 20 0 DGADMP Clc1ccc(SCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420326635 433165500 /nfs/dbraw/zinc/16/55/00/433165500.db2.gz COBXFNFWFMXKSB-OKILXGFUSA-N 2 1 310.894 3.364 20 0 DGADMP c1cc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)co1 ZINC000420324997 433166061 /nfs/dbraw/zinc/16/60/61/433166061.db2.gz HTOPCVLUWATARL-KGLIPLIRSA-N 2 1 317.458 3.225 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328734 433166800 /nfs/dbraw/zinc/16/68/00/433166800.db2.gz MXXBKRIWFWVDJL-KBPBESRZSA-N 2 1 308.853 3.170 20 0 DGADMP COC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000453413882 433168863 /nfs/dbraw/zinc/16/88/63/433168863.db2.gz WQBCXIJLCJCCQW-KRWDZBQOSA-N 2 1 310.869 3.492 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C1CC1 ZINC000453414003 433168933 /nfs/dbraw/zinc/16/89/33/433168933.db2.gz WXOHXFLXCOXFMS-KRWDZBQOSA-N 2 1 304.482 3.495 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CSCCc2ccccc21)C1CC1 ZINC000453416573 433171369 /nfs/dbraw/zinc/17/13/69/433171369.db2.gz XQRRMMBVUAXLTI-GOSISDBHSA-N 2 1 304.503 3.481 20 0 DGADMP CCCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000298547111 433171767 /nfs/dbraw/zinc/17/17/67/433171767.db2.gz UFRZCPDRHPHUGC-GOSISDBHSA-N 2 1 301.434 3.492 20 0 DGADMP Clc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332224 433172437 /nfs/dbraw/zinc/17/24/37/433172437.db2.gz CVXOTXDRQLNOQJ-HUUCEWRRSA-N 2 1 308.853 3.040 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334807 433172512 /nfs/dbraw/zinc/17/25/12/433172512.db2.gz UKZSUSMFZDGJRG-ZWKOTPCHSA-N 2 1 302.462 3.085 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420354160 433176175 /nfs/dbraw/zinc/17/61/75/433176175.db2.gz BNOWIRINLHYBIB-HXUWFJFHSA-N 2 1 323.440 3.449 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420354160 433176185 /nfs/dbraw/zinc/17/61/85/433176185.db2.gz BNOWIRINLHYBIB-HXUWFJFHSA-N 2 1 323.440 3.449 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420354159 433176674 /nfs/dbraw/zinc/17/66/74/433176674.db2.gz BNOWIRINLHYBIB-FQEVSTJZSA-N 2 1 323.440 3.449 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420354159 433176683 /nfs/dbraw/zinc/17/66/83/433176683.db2.gz BNOWIRINLHYBIB-FQEVSTJZSA-N 2 1 323.440 3.449 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336697979 433178077 /nfs/dbraw/zinc/17/80/77/433178077.db2.gz JAYZNCXQUZVHDL-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336697979 433178089 /nfs/dbraw/zinc/17/80/89/433178089.db2.gz JAYZNCXQUZVHDL-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336697979 433178099 /nfs/dbraw/zinc/17/80/99/433178099.db2.gz JAYZNCXQUZVHDL-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336697979 433178113 /nfs/dbraw/zinc/17/81/13/433178113.db2.gz JAYZNCXQUZVHDL-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP CCc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420373153 433187790 /nfs/dbraw/zinc/18/77/90/433187790.db2.gz MCGIGHCWOJUETH-IEBWSBKVSA-N 2 1 302.462 3.012 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)OC ZINC000420380365 433188068 /nfs/dbraw/zinc/18/80/68/433188068.db2.gz WGRQONYXNAYRNU-AEFFLSMTSA-N 2 1 318.461 3.002 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC(C)C ZINC000341652932 433191747 /nfs/dbraw/zinc/19/17/47/433191747.db2.gz DDPYCHUINGYOBO-CQSZACIVSA-N 2 1 317.433 3.338 20 0 DGADMP C[C@H]([NH3+])C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000420381502 433194205 /nfs/dbraw/zinc/19/42/05/433194205.db2.gz XKXFJHIUOXLZRH-LBPRGKRZSA-N 2 1 316.367 3.143 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402861 433198681 /nfs/dbraw/zinc/19/86/81/433198681.db2.gz QVVNLCCOHVEULT-QAPCUYQASA-N 2 1 313.420 3.338 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000361500579 433211549 /nfs/dbraw/zinc/21/15/49/433211549.db2.gz GQUWCEXJTUMXRG-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000361500579 433211555 /nfs/dbraw/zinc/21/15/55/433211555.db2.gz GQUWCEXJTUMXRG-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Br)o1)C1CC1 ZINC000453600231 433229077 /nfs/dbraw/zinc/22/90/77/433229077.db2.gz RZOLAVXIKUIDCX-UHFFFAOYSA-N 2 1 301.228 3.006 20 0 DGADMP CO[C@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000425417864 433232421 /nfs/dbraw/zinc/23/24/21/433232421.db2.gz NMAWZGAFNIBATB-LJQANCHMSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000425417864 433232427 /nfs/dbraw/zinc/23/24/27/433232427.db2.gz NMAWZGAFNIBATB-LJQANCHMSA-N 2 1 302.462 3.008 20 0 DGADMP CCc1nc(NC2CC[NH+](Cc3ccccc3C)CC2)cc(C)[nH+]1 ZINC000341719570 433236600 /nfs/dbraw/zinc/23/66/00/433236600.db2.gz CJVRACUBRUXZFG-UHFFFAOYSA-N 2 1 324.472 3.732 20 0 DGADMP CCc1nc(C)cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000341736621 433242464 /nfs/dbraw/zinc/24/24/64/433242464.db2.gz XEGUVDTUVIQPSB-OWCLPIDISA-N 2 1 302.466 3.189 20 0 DGADMP CO[C@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000425433638 433243509 /nfs/dbraw/zinc/24/35/09/433243509.db2.gz NWPCAGJVJWXFCW-GJJHYRHESA-N 2 1 316.489 3.158 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361563039 433248383 /nfs/dbraw/zinc/24/83/83/433248383.db2.gz HOLFMCVUMYNUNB-UHFFFAOYSA-N 2 1 311.429 3.225 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361563039 433248398 /nfs/dbraw/zinc/24/83/98/433248398.db2.gz HOLFMCVUMYNUNB-UHFFFAOYSA-N 2 1 311.429 3.225 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458524 433249021 /nfs/dbraw/zinc/24/90/21/433249021.db2.gz MYGMHFZACKHMSD-JXFKEZNVSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458524 433249031 /nfs/dbraw/zinc/24/90/31/433249031.db2.gz MYGMHFZACKHMSD-JXFKEZNVSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000425458524 433249038 /nfs/dbraw/zinc/24/90/38/433249038.db2.gz MYGMHFZACKHMSD-JXFKEZNVSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000425458524 433249046 /nfs/dbraw/zinc/24/90/46/433249046.db2.gz MYGMHFZACKHMSD-JXFKEZNVSA-N 2 1 316.489 3.447 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1C ZINC000447723183 433265894 /nfs/dbraw/zinc/26/58/94/433265894.db2.gz NOVFOPNJDXBINO-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1C ZINC000447723183 433265903 /nfs/dbraw/zinc/26/59/03/433265903.db2.gz NOVFOPNJDXBINO-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1C ZINC000447723183 433265912 /nfs/dbraw/zinc/26/59/12/433265912.db2.gz NOVFOPNJDXBINO-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1C ZINC000447723183 433265918 /nfs/dbraw/zinc/26/59/18/433265918.db2.gz NOVFOPNJDXBINO-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000354811331 433288994 /nfs/dbraw/zinc/28/89/94/433288994.db2.gz WHKRQDAOYJJRBJ-DFQSSKMNSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000350804528 433291637 /nfs/dbraw/zinc/29/16/37/433291637.db2.gz YPEKGLJOONPTQJ-MSOLQXFVSA-N 2 1 316.489 3.435 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281385373 433293925 /nfs/dbraw/zinc/29/39/25/433293925.db2.gz XPKOGCVQYLPGMT-GFCCVEGCSA-N 2 1 311.351 3.431 20 0 DGADMP Cc1sccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000350829942 433299279 /nfs/dbraw/zinc/29/92/79/433299279.db2.gz KDUWKGXGUPYYSK-HOTGVXAUSA-N 2 1 321.534 3.047 20 0 DGADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000420904018 433303407 /nfs/dbraw/zinc/30/34/07/433303407.db2.gz OZPAVGOOBJNIHE-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051125 433303312 /nfs/dbraw/zinc/30/33/12/433303312.db2.gz SCQYFUPHHZBEFE-IMFGXOCKSA-N 2 1 316.489 3.353 20 0 DGADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000420904018 433303415 /nfs/dbraw/zinc/30/34/15/433303415.db2.gz OZPAVGOOBJNIHE-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051115 433304807 /nfs/dbraw/zinc/30/48/07/433304807.db2.gz SCQYFUPHHZBEFE-ILZDJORESA-N 2 1 316.489 3.353 20 0 DGADMP CC[C@H]1[C@H](C)CC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420914605 433306247 /nfs/dbraw/zinc/30/62/47/433306247.db2.gz CKZUIIKZUUFAJA-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422948224 289773070 /nfs/dbraw/zinc/77/30/70/289773070.db2.gz RNDPUFWSJPKLEP-RLFYNMQTSA-N 2 1 311.429 3.082 20 0 DGADMP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910454 433308046 /nfs/dbraw/zinc/30/80/46/433308046.db2.gz FBIDDTFAMKDSRT-IAGOWNOFSA-N 2 1 302.462 3.282 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000420979871 433367348 /nfs/dbraw/zinc/36/73/48/433367348.db2.gz VQWVXAAMRRBHLX-FQEVSTJZSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000420979871 433367357 /nfs/dbraw/zinc/36/73/57/433367357.db2.gz VQWVXAAMRRBHLX-FQEVSTJZSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000361743496 433369541 /nfs/dbraw/zinc/36/95/41/433369541.db2.gz HJZYXJFUVWAQNK-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000361743496 433369548 /nfs/dbraw/zinc/36/95/48/433369548.db2.gz HJZYXJFUVWAQNK-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281626302 433331355 /nfs/dbraw/zinc/33/13/55/433331355.db2.gz CRRIOGXPKLMILW-CRAIPNDOSA-N 2 1 308.441 3.225 20 0 DGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066593 433335005 /nfs/dbraw/zinc/33/50/05/433335005.db2.gz GIDNGHCDCLRZEP-LZLYRXPVSA-N 2 1 302.487 3.233 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361675222 433339955 /nfs/dbraw/zinc/33/99/55/433339955.db2.gz WBHGMNOOFGWYOY-SQNIBIBYSA-N 2 1 314.473 3.332 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1C(C)(C)C ZINC000339070325 433342922 /nfs/dbraw/zinc/34/29/22/433342922.db2.gz MFKPODZMPCHMAY-INIZCTEOSA-N 2 1 318.505 3.482 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000339185233 433425897 /nfs/dbraw/zinc/42/58/97/433425897.db2.gz LEEQWBJNRLDIPD-DLBZAZTESA-N 2 1 321.465 3.073 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339190214 433427859 /nfs/dbraw/zinc/42/78/59/433427859.db2.gz NEFLRSJKJQINPK-XLAORIBOSA-N 2 1 322.493 3.105 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000354963946 433378920 /nfs/dbraw/zinc/37/89/20/433378920.db2.gz XHPMSQAGOSXUBS-SUMWQHHRSA-N 2 1 310.869 3.490 20 0 DGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1C[C@@H]1C ZINC000414082837 433383983 /nfs/dbraw/zinc/38/39/83/433383983.db2.gz FXJGXQQNHUMULK-JQHSSLGASA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccc2cc([C@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426023812 433403745 /nfs/dbraw/zinc/40/37/45/433403745.db2.gz UXBCNLASCJKBEX-CVEARBPZSA-N 2 1 315.461 3.028 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131510 433417997 /nfs/dbraw/zinc/41/79/97/433417997.db2.gz LAINPJHTXMUFFT-NJAFHUGGSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131510 433418007 /nfs/dbraw/zinc/41/80/07/433418007.db2.gz LAINPJHTXMUFFT-NJAFHUGGSA-N 2 1 322.880 3.022 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000414177089 433441780 /nfs/dbraw/zinc/44/17/80/433441780.db2.gz JNFUSXVERDUCPJ-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055385 433443336 /nfs/dbraw/zinc/44/33/36/433443336.db2.gz BXJVRJPDDNUDQL-GOSISDBHSA-N 2 1 315.848 3.416 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000355069809 433448419 /nfs/dbraw/zinc/44/84/19/433448419.db2.gz SDVHYGCKPHOTTQ-NVXWUHKLSA-N 2 1 302.462 3.047 20 0 DGADMP CCOc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000292084868 433454953 /nfs/dbraw/zinc/45/49/53/433454953.db2.gz GBDQZQLDMICNDT-IBGZPJMESA-N 2 1 318.461 3.012 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414206833 433461389 /nfs/dbraw/zinc/46/13/89/433461389.db2.gz QFQAMVJPAQWQSS-LNLFQRSKSA-N 2 1 304.478 3.159 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414206833 433461397 /nfs/dbraw/zinc/46/13/97/433461397.db2.gz QFQAMVJPAQWQSS-LNLFQRSKSA-N 2 1 304.478 3.159 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414206837 433461758 /nfs/dbraw/zinc/46/17/58/433461758.db2.gz QFQAMVJPAQWQSS-YQVWRLOYSA-N 2 1 304.478 3.159 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414206837 433461762 /nfs/dbraw/zinc/46/17/62/433461762.db2.gz QFQAMVJPAQWQSS-YQVWRLOYSA-N 2 1 304.478 3.159 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414212497 433466365 /nfs/dbraw/zinc/46/63/65/433466365.db2.gz WQPYQGNYSGMQGV-FRYIKTPZSA-N 2 1 316.489 3.444 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414211360 433463185 /nfs/dbraw/zinc/46/31/85/433463185.db2.gz VJTIZCCVTPWLFK-SCTDSRPQSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000341307364 290140846 /nfs/dbraw/zinc/14/08/46/290140846.db2.gz SBGVBEABALIBDW-FLFBIERCSA-N 2 1 316.489 3.036 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@H]21 ZINC000342100410 433468936 /nfs/dbraw/zinc/46/89/36/433468936.db2.gz KEAYYESLIGELQU-IAOVAPTHSA-N 2 1 315.848 3.447 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]12 ZINC000351477327 433521990 /nfs/dbraw/zinc/52/19/90/433521990.db2.gz NJBKKPXBBYIWMN-HMXCVIKNSA-N 2 1 322.452 3.435 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCC1(O)CCC1 ZINC000421380818 433522643 /nfs/dbraw/zinc/52/26/43/433522643.db2.gz WFSBGBRGWDKBNF-UHFFFAOYSA-N 2 1 318.505 3.429 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000351474796 433523056 /nfs/dbraw/zinc/52/30/56/433523056.db2.gz GYWMKUPRGLFPDB-UHOFOFEASA-N 2 1 317.433 3.118 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000351474796 433523068 /nfs/dbraw/zinc/52/30/68/433523068.db2.gz GYWMKUPRGLFPDB-UHOFOFEASA-N 2 1 317.433 3.118 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](O)C(C)C ZINC000414299904 433525742 /nfs/dbraw/zinc/52/57/42/433525742.db2.gz RONQYSWKQCJBKZ-UXHICEINSA-N 2 1 318.505 3.079 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000375704456 433533731 /nfs/dbraw/zinc/53/37/31/433533731.db2.gz CCHSRKWJPQIECV-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]([NH2+]CCCC1(O)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421388567 433533790 /nfs/dbraw/zinc/53/37/90/433533790.db2.gz PZRZSEPZWJDKER-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000292294446 433540263 /nfs/dbraw/zinc/54/02/63/433540263.db2.gz UMUWYBNLOFKOSA-UXHICEINSA-N 2 1 321.424 3.256 20 0 DGADMP COCC(C)(C)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000426402486 433486381 /nfs/dbraw/zinc/48/63/81/433486381.db2.gz CKVVEMICYMOCED-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP COCC(C)(C)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000426402486 433486393 /nfs/dbraw/zinc/48/63/93/433486393.db2.gz CKVVEMICYMOCED-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP Fc1ccc2c(c1)nccc2N1CCN(c2ccccn2)CC1 ZINC000301289014 433488277 /nfs/dbraw/zinc/48/82/77/433488277.db2.gz SNMPSQLSMCCCKZ-UHFFFAOYSA-N 2 1 308.360 3.096 20 0 DGADMP CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414275337 433507156 /nfs/dbraw/zinc/50/71/56/433507156.db2.gz WHSQXLSDVXTKCZ-QXAKKESOSA-N 2 1 304.478 3.302 20 0 DGADMP CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414275337 433507165 /nfs/dbraw/zinc/50/71/65/433507165.db2.gz WHSQXLSDVXTKCZ-QXAKKESOSA-N 2 1 304.478 3.302 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000339416240 433566319 /nfs/dbraw/zinc/56/63/19/433566319.db2.gz ZHQNDYDJWHHAQI-AABGKKOBSA-N 2 1 316.489 3.085 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCSC1 ZINC000339412758 433567599 /nfs/dbraw/zinc/56/75/99/433567599.db2.gz RJEDBGUAKVWKPF-CEXWTWQISA-N 2 1 318.530 3.412 20 0 DGADMP Cc1cccc(C)c1OCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433540 433579480 /nfs/dbraw/zinc/57/94/80/433579480.db2.gz MLRIBMXPIMJEMW-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433540 433579506 /nfs/dbraw/zinc/57/95/06/433579506.db2.gz MLRIBMXPIMJEMW-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433540 433579518 /nfs/dbraw/zinc/57/95/18/433579518.db2.gz MLRIBMXPIMJEMW-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572183 433590467 /nfs/dbraw/zinc/59/04/67/433590467.db2.gz CFQGUHYFZREBKT-ROUUACIJSA-N 2 1 322.880 3.226 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572183 433590476 /nfs/dbraw/zinc/59/04/76/433590476.db2.gz CFQGUHYFZREBKT-ROUUACIJSA-N 2 1 322.880 3.226 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355422000 433544952 /nfs/dbraw/zinc/54/49/52/433544952.db2.gz PXCRUZJMSNMDGO-UHFFFAOYSA-N 2 1 316.449 3.483 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@@H](O)CN(C)C2CC2)cc1 ZINC000351518415 433546318 /nfs/dbraw/zinc/54/63/18/433546318.db2.gz LXOWMPSHNDPRBV-VDGAXYAQSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351518415 433546338 /nfs/dbraw/zinc/54/63/38/433546338.db2.gz LXOWMPSHNDPRBV-VDGAXYAQSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351518415 433546342 /nfs/dbraw/zinc/54/63/42/433546342.db2.gz LXOWMPSHNDPRBV-VDGAXYAQSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)CN(C)C2CC2)c1C ZINC000351519186 433547733 /nfs/dbraw/zinc/54/77/33/433547733.db2.gz NWKDTZYPMRKQLW-AZUAARDMSA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000351519186 433547753 /nfs/dbraw/zinc/54/77/53/433547753.db2.gz NWKDTZYPMRKQLW-AZUAARDMSA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000351519186 433547759 /nfs/dbraw/zinc/54/77/59/433547759.db2.gz NWKDTZYPMRKQLW-AZUAARDMSA-N 2 1 316.489 3.286 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000376002842 433637227 /nfs/dbraw/zinc/63/72/27/433637227.db2.gz GBMAWTRUMGFLQT-PSBWJHGTSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002842 433637231 /nfs/dbraw/zinc/63/72/31/433637231.db2.gz GBMAWTRUMGFLQT-PSBWJHGTSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002842 433637238 /nfs/dbraw/zinc/63/72/38/433637238.db2.gz GBMAWTRUMGFLQT-PSBWJHGTSA-N 2 1 307.526 3.102 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282427496 433606102 /nfs/dbraw/zinc/60/61/02/433606102.db2.gz SZIKSGKRXAPTFD-HNNXBMFYSA-N 2 1 321.534 3.085 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000356531881 433607008 /nfs/dbraw/zinc/60/70/08/433607008.db2.gz SEAWSLWZDRUURG-VQTJNVASSA-N 2 1 316.489 3.305 20 0 DGADMP COC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000293024730 433609701 /nfs/dbraw/zinc/60/97/01/433609701.db2.gz QZBADEFJWLZJSU-UHFFFAOYSA-N 2 1 302.462 3.200 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Oc1cccnc1 ZINC000427115727 433655243 /nfs/dbraw/zinc/65/52/43/433655243.db2.gz SSNIGDSAXQAFMU-PKOBYXMFSA-N 2 1 323.440 3.366 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Oc1cccnc1 ZINC000427115727 433655254 /nfs/dbraw/zinc/65/52/54/433655254.db2.gz SSNIGDSAXQAFMU-PKOBYXMFSA-N 2 1 323.440 3.366 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(OC2CCCC2)c1 ZINC000427132675 433656320 /nfs/dbraw/zinc/65/63/20/433656320.db2.gz GAHCWSCNPBKAEM-QFBILLFUSA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(OC2CCCC2)c1 ZINC000427132675 433656331 /nfs/dbraw/zinc/65/63/31/433656331.db2.gz GAHCWSCNPBKAEM-QFBILLFUSA-N 2 1 300.446 3.192 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034902 433692805 /nfs/dbraw/zinc/69/28/05/433692805.db2.gz FMJNXIAJJOLTTJ-QGZVFWFLSA-N 2 1 318.461 3.012 20 0 DGADMP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000301670882 433665501 /nfs/dbraw/zinc/66/55/01/433665501.db2.gz NUWHKVLPNBLNOA-OAHLLOKOSA-N 2 1 313.445 3.472 20 0 DGADMP Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000301686457 433677631 /nfs/dbraw/zinc/67/76/31/433677631.db2.gz UTAWPPYJFZKLQY-ZIAGYGMSSA-N 2 1 317.408 3.203 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000449025813 433680340 /nfs/dbraw/zinc/68/03/40/433680340.db2.gz HWZDGIICEJGGKE-UHFFFAOYSA-N 2 1 313.445 3.192 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000367057614 293018547 /nfs/dbraw/zinc/01/85/47/293018547.db2.gz LGRGVFOTJJXYLU-ROUUACIJSA-N 2 1 308.510 3.437 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000368365956 293120081 /nfs/dbraw/zinc/12/00/81/293120081.db2.gz XCWZJAOLEZOKSG-GUYCJALGSA-N 2 1 308.491 3.213 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000368524832 293131295 /nfs/dbraw/zinc/13/12/95/293131295.db2.gz CBNSTTIOJRDZKM-FGTMMUONSA-N 2 1 308.510 3.293 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)CC1 ZINC000374073929 293349619 /nfs/dbraw/zinc/34/96/19/293349619.db2.gz GITCIQMNBQVABM-UHFFFAOYSA-N 2 1 316.493 3.306 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000374075181 293349877 /nfs/dbraw/zinc/34/98/77/293349877.db2.gz QSCNUNHXQJJSHJ-HCXYKTFWSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000374498753 293408379 /nfs/dbraw/zinc/40/83/79/293408379.db2.gz WHKVHSCHXJIDEL-BKTGTZMESA-N 2 1 311.429 3.399 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449236332 433733763 /nfs/dbraw/zinc/73/37/63/433733763.db2.gz XRDMWPBBPRXBMF-RTBURBONSA-N 2 1 314.473 3.066 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421821052 433743680 /nfs/dbraw/zinc/74/36/80/433743680.db2.gz PDTNHTMCSVNFLR-SCTDSRPQSA-N 2 1 315.505 3.287 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000351855341 433755359 /nfs/dbraw/zinc/75/53/59/433755359.db2.gz SXXJNNYXAMDTEG-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293486134 433756844 /nfs/dbraw/zinc/75/68/44/433756844.db2.gz RNBICRRBSQJHGG-KXBFYZLASA-N 2 1 320.452 3.367 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000351860699 433757569 /nfs/dbraw/zinc/75/75/69/433757569.db2.gz HZRKTTLENIKPGQ-STQMWFEESA-N 2 1 316.367 3.143 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449755889 433768502 /nfs/dbraw/zinc/76/85/02/433768502.db2.gz OKCYYDRFZSNTTF-RTBURBONSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)O1 ZINC000449107739 433723345 /nfs/dbraw/zinc/72/33/45/433723345.db2.gz RELLEMHPWZUMRC-AESZEHBQSA-N 2 1 308.491 3.116 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)O1 ZINC000449107739 433723357 /nfs/dbraw/zinc/72/33/57/433723357.db2.gz RELLEMHPWZUMRC-AESZEHBQSA-N 2 1 308.491 3.116 20 0 DGADMP c1coc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414772889 433823384 /nfs/dbraw/zinc/82/33/84/433823384.db2.gz CROVRGOHJGXLDA-KGLIPLIRSA-N 2 1 317.458 3.225 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000414658461 433773814 /nfs/dbraw/zinc/77/38/14/433773814.db2.gz JMSFRGOQOXAEJM-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095204 433775401 /nfs/dbraw/zinc/77/54/01/433775401.db2.gz ILKOFLZBNUZLMI-AEFFLSMTSA-N 2 1 322.880 3.010 20 0 DGADMP C[N@@H+](CCN1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000429690911 433781278 /nfs/dbraw/zinc/78/12/78/433781278.db2.gz AKLLNPKQSVQDST-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414684641 433786426 /nfs/dbraw/zinc/78/64/26/433786426.db2.gz WMLGOEKDDIBRCZ-BZUAXINKSA-N 2 1 308.491 3.117 20 0 DGADMP CCN(CC)CC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414683532 433786870 /nfs/dbraw/zinc/78/68/70/433786870.db2.gz UBSBPORBOVCBKF-IAGOWNOFSA-N 2 1 323.550 3.280 20 0 DGADMP CCN(CC)CC[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414683532 433786880 /nfs/dbraw/zinc/78/68/80/433786880.db2.gz UBSBPORBOVCBKF-IAGOWNOFSA-N 2 1 323.550 3.280 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414684156 433787377 /nfs/dbraw/zinc/78/73/77/433787377.db2.gz UXGNXMIVVCGVKN-UXLLHSPISA-N 2 1 318.461 3.229 20 0 DGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000449783823 433795564 /nfs/dbraw/zinc/79/55/64/433795564.db2.gz RYFBEICYJZNSCV-UHFFFAOYSA-N 2 1 301.478 3.119 20 0 DGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000449783823 433795572 /nfs/dbraw/zinc/79/55/72/433795572.db2.gz RYFBEICYJZNSCV-UHFFFAOYSA-N 2 1 301.478 3.119 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1Cc1ccccc1 ZINC000430811980 433798299 /nfs/dbraw/zinc/79/82/99/433798299.db2.gz STIRUYQPKSALKR-SJLPKXTDSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@H+]1Cc1ccccc1 ZINC000430811980 433798309 /nfs/dbraw/zinc/79/83/09/433798309.db2.gz STIRUYQPKSALKR-SJLPKXTDSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811980 433798317 /nfs/dbraw/zinc/79/83/17/433798317.db2.gz STIRUYQPKSALKR-SJLPKXTDSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811980 433798323 /nfs/dbraw/zinc/79/83/23/433798323.db2.gz STIRUYQPKSALKR-SJLPKXTDSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)C[C@H](C)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721519 433806659 /nfs/dbraw/zinc/80/66/59/433806659.db2.gz HHMQMMBINRDGMG-DLBZAZTESA-N 2 1 318.509 3.046 20 0 DGADMP CCC[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414772536 433825181 /nfs/dbraw/zinc/82/51/81/433825181.db2.gz CBOVQUPRZLZSMF-MOPGFXCFSA-N 2 1 316.489 3.258 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)CC[NH2+]1 ZINC000414756620 433815407 /nfs/dbraw/zinc/81/54/07/433815407.db2.gz RGDBVNWEKLPNCT-ADAWSYLGSA-N 2 1 322.880 3.490 20 0 DGADMP CC[N@@H+](CCC1CCN(CC[NH2+]C(C)(C)C)CC1)CC1CC1 ZINC000414745137 433817023 /nfs/dbraw/zinc/81/70/23/433817023.db2.gz PBLTXYJQZOQZPC-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)CCO2)cc1 ZINC000414760991 433821030 /nfs/dbraw/zinc/82/10/30/433821030.db2.gz ZQMFXVJKXPGYDJ-IEZWGBDMSA-N 2 1 302.462 3.010 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)C1CCCCC1 ZINC000414837767 433872971 /nfs/dbraw/zinc/87/29/71/433872971.db2.gz JXFCSVILOIVCBY-INIZCTEOSA-N 2 1 312.404 3.328 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CCCCC1 ZINC000414839833 433873194 /nfs/dbraw/zinc/87/31/94/433873194.db2.gz JRPKAGCYXKIKOW-UHFFFAOYSA-N 2 1 318.852 3.481 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000377412697 433874138 /nfs/dbraw/zinc/87/41/38/433874138.db2.gz NMHTVNLNDMRCNQ-SOAGJPPSSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432407526 433826974 /nfs/dbraw/zinc/82/69/74/433826974.db2.gz MPEKPPGPETXRCT-DLBZAZTESA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432407526 433826984 /nfs/dbraw/zinc/82/69/84/433826984.db2.gz MPEKPPGPETXRCT-DLBZAZTESA-N 2 1 322.468 3.237 20 0 DGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414845414 433877311 /nfs/dbraw/zinc/87/73/11/433877311.db2.gz DJMWGQPRBXKSSR-WDEREUQCSA-N 2 1 304.331 3.322 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414779884 433827977 /nfs/dbraw/zinc/82/79/77/433827977.db2.gz KVAHPWLDHRHUOW-HUUCEWRRSA-N 2 1 308.853 3.170 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414779474 433828292 /nfs/dbraw/zinc/82/82/92/433828292.db2.gz KCSPCRKOKLIUSB-CABCVRRESA-N 2 1 307.507 3.163 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432425755 433829141 /nfs/dbraw/zinc/82/91/41/433829141.db2.gz XCLXQTKPRXNZFZ-HKUYNNGSSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432425755 433829148 /nfs/dbraw/zinc/82/91/48/433829148.db2.gz XCLXQTKPRXNZFZ-HKUYNNGSSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432425756 433829297 /nfs/dbraw/zinc/82/92/97/433829297.db2.gz XCLXQTKPRXNZFZ-IEBWSBKVSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432425756 433829306 /nfs/dbraw/zinc/82/93/06/433829306.db2.gz XCLXQTKPRXNZFZ-IEBWSBKVSA-N 2 1 304.478 3.098 20 0 DGADMP C[N@H+](Cc1ccc(-c2nc3ccccc3s2)o1)C1CC([NH3+])C1 ZINC000414777185 433830561 /nfs/dbraw/zinc/83/05/61/433830561.db2.gz OAPVRYCLMQWGBT-UHFFFAOYSA-N 2 1 313.426 3.478 20 0 DGADMP C[N@@H+](Cc1ccc(-c2nc3ccccc3s2)o1)C1CC([NH3+])C1 ZINC000414777185 433830569 /nfs/dbraw/zinc/83/05/69/433830569.db2.gz OAPVRYCLMQWGBT-UHFFFAOYSA-N 2 1 313.426 3.478 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784154 433833799 /nfs/dbraw/zinc/83/37/99/433833799.db2.gz QVZDYOGAKHQECP-MSOLQXFVSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2cccnc12 ZINC000414787670 433834061 /nfs/dbraw/zinc/83/40/61/433834061.db2.gz VSZLOIZKBINLGD-OALUTQOASA-N 2 1 309.457 3.365 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414788102 433836484 /nfs/dbraw/zinc/83/64/84/433836484.db2.gz WGBXWJMBBVSYAH-CABCVRRESA-N 2 1 310.388 3.110 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789947 433838307 /nfs/dbraw/zinc/83/83/07/433838307.db2.gz ZCROCNSPAMAZBC-KGLIPLIRSA-N 2 1 308.853 3.170 20 0 DGADMP Cc1nc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2s1 ZINC000414790419 433838516 /nfs/dbraw/zinc/83/85/16/433838516.db2.gz ZUGFKIPZAOZKKZ-JKSUJKDBSA-N 2 1 315.486 3.426 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000414798959 433842391 /nfs/dbraw/zinc/84/23/91/433842391.db2.gz CUONZOPELBYGQV-OAHLLOKOSA-N 2 1 300.368 3.355 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284164707 433849179 /nfs/dbraw/zinc/84/91/79/433849179.db2.gz PZDCVCMAZPDHKQ-GPJFCIFZSA-N 2 1 318.505 3.426 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]CC([NH3+])(CC)CC)cc1OC ZINC000414806690 433850283 /nfs/dbraw/zinc/85/02/83/433850283.db2.gz QBUAFPATQNJSGA-UHFFFAOYSA-N 2 1 314.857 3.354 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000293754396 433854122 /nfs/dbraw/zinc/85/41/22/433854122.db2.gz YKTUHIFZRMGPFN-VQTJNVASSA-N 2 1 314.473 3.232 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000344297025 433857123 /nfs/dbraw/zinc/85/71/23/433857123.db2.gz MLCRLXCLQRZUIR-BRSBDYLESA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000344297025 433857129 /nfs/dbraw/zinc/85/71/29/433857129.db2.gz MLCRLXCLQRZUIR-BRSBDYLESA-N 2 1 306.494 3.044 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414818826 433857272 /nfs/dbraw/zinc/85/72/72/433857272.db2.gz WSYRNTGFTZTEKU-QXAKKESOSA-N 2 1 303.494 3.147 20 0 DGADMP Cc1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377338291 433858142 /nfs/dbraw/zinc/85/81/42/433858142.db2.gz WASKOFDEVCEREH-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377338291 433858149 /nfs/dbraw/zinc/85/81/49/433858149.db2.gz WASKOFDEVCEREH-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377338291 433858155 /nfs/dbraw/zinc/85/81/55/433858155.db2.gz WASKOFDEVCEREH-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377338291 433858165 /nfs/dbraw/zinc/85/81/65/433858165.db2.gz WASKOFDEVCEREH-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414818093 433858793 /nfs/dbraw/zinc/85/87/93/433858793.db2.gz USEGZEKLEUVSRB-GOSISDBHSA-N 2 1 313.445 3.268 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000414831678 433866696 /nfs/dbraw/zinc/86/66/96/433866696.db2.gz DJRZCTWQNBKSBX-LBPRGKRZSA-N 2 1 320.868 3.088 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CCC1 ZINC000414887804 433899141 /nfs/dbraw/zinc/89/91/41/433899141.db2.gz ZRNFMWPSVBUNLJ-UHFFFAOYSA-N 2 1 303.631 3.074 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cnn1C(C)C ZINC000345282406 433903714 /nfs/dbraw/zinc/90/37/14/433903714.db2.gz NYWBQTUAKSJKDT-AWEZNQCLSA-N 2 1 304.482 3.440 20 0 DGADMP Cc1cc(Br)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000414897847 433905506 /nfs/dbraw/zinc/90/55/06/433905506.db2.gz AAVIJVYXVUYDBY-ZDUSSCGKSA-N 2 1 317.296 3.298 20 0 DGADMP Clc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414903257 433908094 /nfs/dbraw/zinc/90/80/94/433908094.db2.gz JNIXBTJLNUFDDS-GFCCVEGCSA-N 2 1 317.658 3.334 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCC[NH2+]C1 ZINC000414905167 433908680 /nfs/dbraw/zinc/90/86/80/433908680.db2.gz OBKOVHUDIUNNML-QGZVFWFLSA-N 2 1 318.852 3.005 20 0 DGADMP [NH3+][C@@H](C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)C1CC1 ZINC000414903411 433910346 /nfs/dbraw/zinc/91/03/46/433910346.db2.gz ZOLVUOODWYIQDP-HNNXBMFYSA-N 2 1 306.356 3.268 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2c1 ZINC000422564077 433924471 /nfs/dbraw/zinc/92/44/71/433924471.db2.gz VBFFIDMYHMKFMR-NFAWXSAZSA-N 2 1 302.418 3.247 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(OCCC)c1 ZINC000414940598 433925429 /nfs/dbraw/zinc/92/54/29/433925429.db2.gz BVZJXFJHQBRUOL-DOTOQJQBSA-N 2 1 320.477 3.494 20 0 DGADMP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436289945 433927746 /nfs/dbraw/zinc/92/77/46/433927746.db2.gz XWNPZSNFNXYAQN-WJFTUGDTSA-N 2 1 318.505 3.331 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414950239 433928987 /nfs/dbraw/zinc/92/89/87/433928987.db2.gz OEOLCVDHZKFNJO-LRDDRELGSA-N 2 1 318.852 3.064 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000436294269 433928944 /nfs/dbraw/zinc/92/89/44/433928944.db2.gz FYUDQLVQLOQQCG-SJORKVTESA-N 2 1 305.466 3.080 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242051 433930930 /nfs/dbraw/zinc/93/09/30/433930930.db2.gz RKLZVNDOZFFZHE-AQNXPRMDSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242051 433930940 /nfs/dbraw/zinc/93/09/40/433930940.db2.gz RKLZVNDOZFFZHE-AQNXPRMDSA-N 3 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242051 433930951 /nfs/dbraw/zinc/93/09/51/433930951.db2.gz RKLZVNDOZFFZHE-AQNXPRMDSA-N 3 1 315.505 3.019 20 0 DGADMP CN(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242051 433930957 /nfs/dbraw/zinc/93/09/57/433930957.db2.gz RKLZVNDOZFFZHE-AQNXPRMDSA-N 2 1 315.505 3.019 20 0 DGADMP CCCOc1c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cccc1OCC ZINC000414944524 433931580 /nfs/dbraw/zinc/93/15/80/433931580.db2.gz GYCZXNLQGSDKRC-GOEBONIOSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CCCO1 ZINC000285381372 433932896 /nfs/dbraw/zinc/93/28/96/433932896.db2.gz AAGCJCDTDCDBAQ-IJJSQOHJSA-N 2 1 324.415 3.069 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422688086 433934250 /nfs/dbraw/zinc/93/42/50/433934250.db2.gz CMPXPDLWVBXESQ-OALUTQOASA-N 3 1 303.494 3.278 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414852779 433883295 /nfs/dbraw/zinc/88/32/95/433883295.db2.gz RQEHCAHVGVRBGM-CRAIPNDOSA-N 2 1 317.477 3.209 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n(C)n1 ZINC000284333675 433886139 /nfs/dbraw/zinc/88/61/39/433886139.db2.gz MKZSUTYGABGPIQ-LDLYASANSA-N 2 1 324.472 3.014 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)n1 ZINC000284333675 433886146 /nfs/dbraw/zinc/88/61/46/433886146.db2.gz MKZSUTYGABGPIQ-LDLYASANSA-N 2 1 324.472 3.014 20 0 DGADMP Fc1ccc(C(C[NH2+][C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000414860292 433890523 /nfs/dbraw/zinc/89/05/23/433890523.db2.gz CJUJHEADOPWXDU-GOSISDBHSA-N 2 1 316.395 3.438 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861771 433890710 /nfs/dbraw/zinc/89/07/10/433890710.db2.gz WTUXXSZPJINOGS-RAUXBKROSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861771 433890720 /nfs/dbraw/zinc/89/07/20/433890720.db2.gz WTUXXSZPJINOGS-RAUXBKROSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414860460 433891206 /nfs/dbraw/zinc/89/12/06/433891206.db2.gz VNTXLRZEFNJLFH-DFEOGRTESA-N 3 1 307.526 3.007 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293845211 433891918 /nfs/dbraw/zinc/89/19/18/433891918.db2.gz TXCOVXAQDSUZLL-SFHVURJKSA-N 2 1 316.445 3.141 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[NH2+]1 ZINC000414961779 433942509 /nfs/dbraw/zinc/94/25/09/433942509.db2.gz ZCNNHDKCGURTHD-RDJZCZTQSA-N 2 1 310.445 3.080 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422710669 433946371 /nfs/dbraw/zinc/94/63/71/433946371.db2.gz FJDJDYZLPJSYIL-ROUUACIJSA-N 2 1 317.477 3.421 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000422714376 433947046 /nfs/dbraw/zinc/94/70/46/433947046.db2.gz QVBQYIFYFAOWNM-CAMMJAKZSA-N 2 1 304.478 3.130 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000340164645 433947367 /nfs/dbraw/zinc/94/73/67/433947367.db2.gz HSMQKYGVVKZNDT-VQIMIIECSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000340164642 433949697 /nfs/dbraw/zinc/94/96/97/433949697.db2.gz HSMQKYGVVKZNDT-APWZRJJASA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422730637 433955209 /nfs/dbraw/zinc/95/52/09/433955209.db2.gz MKJWUCGJHKLRRM-SOLBZPMBSA-N 2 1 303.494 3.094 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340174441 433957355 /nfs/dbraw/zinc/95/73/55/433957355.db2.gz UVHGLXSLDUVESU-AEFFLSMTSA-N 2 1 315.486 3.419 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340174441 433957362 /nfs/dbraw/zinc/95/73/62/433957362.db2.gz UVHGLXSLDUVESU-AEFFLSMTSA-N 2 1 315.486 3.419 20 0 DGADMP CC[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422738178 433960875 /nfs/dbraw/zinc/96/08/75/433960875.db2.gz IKPDSLYCKTXBBO-CABCVRRESA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000285473473 433962293 /nfs/dbraw/zinc/96/22/93/433962293.db2.gz NZZZSKPQJWSDMV-INIZCTEOSA-N 2 1 302.462 3.187 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285471600 433962494 /nfs/dbraw/zinc/96/24/94/433962494.db2.gz HMYXJQDGMPJYLS-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285471600 433962501 /nfs/dbraw/zinc/96/25/01/433962501.db2.gz HMYXJQDGMPJYLS-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285471600 433962507 /nfs/dbraw/zinc/96/25/07/433962507.db2.gz HMYXJQDGMPJYLS-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422735640 433962856 /nfs/dbraw/zinc/96/28/56/433962856.db2.gz WLLHBXUIPGRCMN-KGLIPLIRSA-N 2 1 316.367 3.377 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340183402 433963627 /nfs/dbraw/zinc/96/36/27/433963627.db2.gz FLYKVKATCXJXBF-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340183402 433963636 /nfs/dbraw/zinc/96/36/36/433963636.db2.gz FLYKVKATCXJXBF-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340183402 433963644 /nfs/dbraw/zinc/96/36/44/433963644.db2.gz FLYKVKATCXJXBF-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422745308 433965762 /nfs/dbraw/zinc/96/57/62/433965762.db2.gz LYZXJPCFJZDKQZ-IUODEOHRSA-N 2 1 323.278 3.068 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000422740469 433965936 /nfs/dbraw/zinc/96/59/36/433965936.db2.gz BWHLOAGEDIDFPQ-HRCADAONSA-N 2 1 309.523 3.237 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340186927 433967546 /nfs/dbraw/zinc/96/75/46/433967546.db2.gz YQBNEDGNTWLQPT-PMACEKPBSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415013954 433969581 /nfs/dbraw/zinc/96/95/81/433969581.db2.gz ZAMJUKXLBLESST-BTHPGYMESA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415013954 433969589 /nfs/dbraw/zinc/96/95/89/433969589.db2.gz ZAMJUKXLBLESST-BTHPGYMESA-N 3 1 315.505 3.147 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C)c1 ZINC000285499930 433970296 /nfs/dbraw/zinc/97/02/96/433970296.db2.gz ADLUQHPLSRNQNU-OALUTQOASA-N 2 1 304.478 3.273 20 0 DGADMP OCCCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285500744 433972699 /nfs/dbraw/zinc/97/26/99/433972699.db2.gz JFANHZCDPAQYGN-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285500744 433972709 /nfs/dbraw/zinc/97/27/09/433972709.db2.gz JFANHZCDPAQYGN-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285500744 433972720 /nfs/dbraw/zinc/97/27/20/433972720.db2.gz JFANHZCDPAQYGN-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@H]1SCC[N@@H+](C/C=C/C[NH+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000340193679 433973619 /nfs/dbraw/zinc/97/36/19/433973619.db2.gz CQVFPTSTLVOZKP-NHIZAAOVSA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C/C[N@@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000340193679 433973625 /nfs/dbraw/zinc/97/36/25/433973625.db2.gz CQVFPTSTLVOZKP-NHIZAAOVSA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C/C[N@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000340193679 433973634 /nfs/dbraw/zinc/97/36/34/433973634.db2.gz CQVFPTSTLVOZKP-NHIZAAOVSA-N 2 1 314.564 3.194 20 0 DGADMP CC(C)(C)C1CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000436469051 433974521 /nfs/dbraw/zinc/97/45/21/433974521.db2.gz SUIBRWCAFKAYPV-UHFFFAOYSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@@H+](CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757564 433976329 /nfs/dbraw/zinc/97/63/29/433976329.db2.gz JRFZESSHLPEKPW-LEWJYISDSA-N 2 1 323.484 3.201 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000422752476 433977918 /nfs/dbraw/zinc/97/79/18/433977918.db2.gz HDJKYDFNPYBRFM-ZWKOTPCHSA-N 2 1 324.424 3.041 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000422752475 433979977 /nfs/dbraw/zinc/97/99/77/433979977.db2.gz HDJKYDFNPYBRFM-ROUUACIJSA-N 2 1 324.424 3.041 20 0 DGADMP COCc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1F ZINC000422763890 433981827 /nfs/dbraw/zinc/98/18/27/433981827.db2.gz OAIFXCJDYBJVMN-AUUYWEPGSA-N 2 1 316.420 3.020 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)c2ccccc21 ZINC000340202249 433984333 /nfs/dbraw/zinc/98/43/33/433984333.db2.gz ULFJEMUQHGOJBF-GJZGRUSLSA-N 2 1 316.420 3.086 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)o2)cc1 ZINC000422634189 433936280 /nfs/dbraw/zinc/93/62/80/433936280.db2.gz JMAABBFKBZPGDG-INMHGKMJSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)o2)cc1 ZINC000422634189 433936287 /nfs/dbraw/zinc/93/62/87/433936287.db2.gz JMAABBFKBZPGDG-INMHGKMJSA-N 2 1 313.445 3.455 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000436314814 433937380 /nfs/dbraw/zinc/93/73/80/433937380.db2.gz ZKSVBZXCLBIYST-RZDIXWSQSA-N 2 1 322.880 3.286 20 0 DGADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377633370 433937506 /nfs/dbraw/zinc/93/75/06/433937506.db2.gz XSZIISYQLPFCMD-JWTNVVGKSA-N 2 1 310.445 3.134 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377633370 433937514 /nfs/dbraw/zinc/93/75/14/433937514.db2.gz XSZIISYQLPFCMD-JWTNVVGKSA-N 2 1 310.445 3.134 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377633370 433937520 /nfs/dbraw/zinc/93/75/20/433937520.db2.gz XSZIISYQLPFCMD-JWTNVVGKSA-N 2 1 310.445 3.134 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377633370 433937524 /nfs/dbraw/zinc/93/75/24/433937524.db2.gz XSZIISYQLPFCMD-JWTNVVGKSA-N 2 1 310.445 3.134 20 0 DGADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cn2c1 ZINC000422707781 433938408 /nfs/dbraw/zinc/93/84/08/433938408.db2.gz AXIPGGZOEUKUHR-OKZBNKHCSA-N 2 1 312.461 3.043 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414963069 433939243 /nfs/dbraw/zinc/93/92/43/433939243.db2.gz COEPQIIYJVZKGT-IBGZPJMESA-N 3 1 317.521 3.266 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414963069 433939255 /nfs/dbraw/zinc/93/92/55/433939255.db2.gz COEPQIIYJVZKGT-IBGZPJMESA-N 2 1 317.521 3.266 20 0 DGADMP Cc1cccnc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285422014 433940617 /nfs/dbraw/zinc/94/06/17/433940617.db2.gz DSWZSUITLGTKLX-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cccnc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285422014 433940622 /nfs/dbraw/zinc/94/06/22/433940622.db2.gz DSWZSUITLGTKLX-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285422014 433940629 /nfs/dbraw/zinc/94/06/29/433940629.db2.gz DSWZSUITLGTKLX-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285422014 433940634 /nfs/dbraw/zinc/94/06/34/433940634.db2.gz DSWZSUITLGTKLX-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422790947 434004035 /nfs/dbraw/zinc/00/40/35/434004035.db2.gz CJVLGVNSRIKGLZ-IAGOWNOFSA-N 2 1 303.450 3.031 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000422798455 434010943 /nfs/dbraw/zinc/01/09/43/434010943.db2.gz RDQHAOHTILGCIR-FZMZJTMJSA-N 2 1 321.515 3.453 20 0 DGADMP COCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422801667 434015509 /nfs/dbraw/zinc/01/55/09/434015509.db2.gz CIPOUXVFTFUENQ-WOJBJXKFSA-N 2 1 310.441 3.416 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340257067 434021012 /nfs/dbraw/zinc/02/10/12/434021012.db2.gz JSFRETHEWIYFPT-IRXDYDNUSA-N 2 1 318.461 3.143 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340257067 434021019 /nfs/dbraw/zinc/02/10/19/434021019.db2.gz JSFRETHEWIYFPT-IRXDYDNUSA-N 2 1 318.461 3.143 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422809024 434022264 /nfs/dbraw/zinc/02/22/64/434022264.db2.gz RCRSKMKCBOGVGZ-OALUTQOASA-N 2 1 314.404 3.374 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3Cc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422808196 434022844 /nfs/dbraw/zinc/02/28/44/434022844.db2.gz NSNZAFJOMKREPI-QRVBRYPASA-N 2 1 308.425 3.073 20 0 DGADMP COCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285636531 434023438 /nfs/dbraw/zinc/02/34/38/434023438.db2.gz RNDHMAMYICHUEJ-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285636531 434023449 /nfs/dbraw/zinc/02/34/49/434023449.db2.gz RNDHMAMYICHUEJ-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285636531 434023459 /nfs/dbraw/zinc/02/34/59/434023459.db2.gz RNDHMAMYICHUEJ-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(OC2CCCC2)c1 ZINC000422819619 434023883 /nfs/dbraw/zinc/02/38/83/434023883.db2.gz IPXXRJPQBZEOHM-CABCVRRESA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000340270145 434024718 /nfs/dbraw/zinc/02/47/18/434024718.db2.gz BACSYPPYSZFXKY-PSBWJHGTSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000340270145 434024730 /nfs/dbraw/zinc/02/47/30/434024730.db2.gz BACSYPPYSZFXKY-PSBWJHGTSA-N 2 1 302.462 3.227 20 0 DGADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1F ZINC000422819921 434027394 /nfs/dbraw/zinc/02/73/94/434027394.db2.gz OJXUHEWUTGLPMA-CHWSQXEVSA-N 2 1 303.381 3.141 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000422824752 434028462 /nfs/dbraw/zinc/02/84/62/434028462.db2.gz IBKBUAQFLMRGMB-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000397932680 293850269 /nfs/dbraw/zinc/85/02/69/293850269.db2.gz MTIULSOOIKPZHS-MAUKXSAKSA-N 2 1 304.503 3.177 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000422829562 434034066 /nfs/dbraw/zinc/03/40/66/434034066.db2.gz UUSHWXUQSZROQS-GKDVJIACSA-N 2 1 315.280 3.444 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C[C@@H]1c1ccccc1 ZINC000340287294 434038018 /nfs/dbraw/zinc/03/80/18/434038018.db2.gz ZIOQCASFGJTQBM-ZWKOTPCHSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C[C@@H]1c1ccccc1 ZINC000340287294 434038026 /nfs/dbraw/zinc/03/80/26/434038026.db2.gz ZIOQCASFGJTQBM-ZWKOTPCHSA-N 2 1 304.478 3.210 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422836078 434039451 /nfs/dbraw/zinc/03/94/51/434039451.db2.gz ZNYWUVBYNGPMAQ-AQNXPRMDSA-N 2 1 315.505 3.239 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000340290815 434041110 /nfs/dbraw/zinc/04/11/10/434041110.db2.gz PDGDKRBHPCCXCR-IBGZPJMESA-N 2 1 307.526 3.200 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836387 434041238 /nfs/dbraw/zinc/04/12/38/434041238.db2.gz JXALDPIMLUSTQK-OQUMVOOASA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836387 434041247 /nfs/dbraw/zinc/04/12/47/434041247.db2.gz JXALDPIMLUSTQK-OQUMVOOASA-N 3 1 315.505 3.004 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377785939 433993412 /nfs/dbraw/zinc/99/34/12/433993412.db2.gz RCVMMNQECOASRK-DLBZAZTESA-N 2 1 303.450 3.005 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377785939 433993423 /nfs/dbraw/zinc/99/34/23/433993423.db2.gz RCVMMNQECOASRK-DLBZAZTESA-N 2 1 303.450 3.005 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340221322 433994491 /nfs/dbraw/zinc/99/44/91/433994491.db2.gz HZENGSURYOPSSS-MOPGFXCFSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340221322 433994502 /nfs/dbraw/zinc/99/45/02/433994502.db2.gz HZENGSURYOPSSS-MOPGFXCFSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340221322 433994510 /nfs/dbraw/zinc/99/45/10/433994510.db2.gz HZENGSURYOPSSS-MOPGFXCFSA-N 2 1 303.494 3.142 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377785944 433995640 /nfs/dbraw/zinc/99/56/40/433995640.db2.gz RCVMMNQECOASRK-IRXDYDNUSA-N 2 1 303.450 3.005 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377785944 433995648 /nfs/dbraw/zinc/99/56/48/433995648.db2.gz RCVMMNQECOASRK-IRXDYDNUSA-N 2 1 303.450 3.005 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340235481 433999633 /nfs/dbraw/zinc/99/96/33/433999633.db2.gz GDXUAXAPYUMENN-MJGOQNOKSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340235481 433999640 /nfs/dbraw/zinc/99/96/40/433999640.db2.gz GDXUAXAPYUMENN-MJGOQNOKSA-N 2 1 313.445 3.259 20 0 DGADMP C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]1 ZINC000422784094 433999796 /nfs/dbraw/zinc/99/97/96/433999796.db2.gz LVBHLESAXQPGFV-CZUORRHYSA-N 2 1 301.459 3.083 20 0 DGADMP C[N@@H+](CCCOCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285592244 434001861 /nfs/dbraw/zinc/00/18/61/434001861.db2.gz URKCEMWJUADBBC-YOFSQIOKSA-N 2 1 316.489 3.193 20 0 DGADMP C[NH+](CCCOCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285592244 434001871 /nfs/dbraw/zinc/00/18/71/434001871.db2.gz URKCEMWJUADBBC-YOFSQIOKSA-N 2 1 316.489 3.193 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000422861870 434062683 /nfs/dbraw/zinc/06/26/83/434062683.db2.gz NBCCWPHRCKJRCM-DJIMGWMZSA-N 2 1 309.523 3.238 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000422858503 434063006 /nfs/dbraw/zinc/06/30/06/434063006.db2.gz IVHUFUVIVOEMAC-QWRGUYRKSA-N 2 1 303.269 3.260 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422866927 434065672 /nfs/dbraw/zinc/06/56/72/434065672.db2.gz RDPQXWZUGWSOHQ-WOJBJXKFSA-N 2 1 310.441 3.373 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414971480 293898545 /nfs/dbraw/zinc/89/85/45/293898545.db2.gz LIXMCXCUIWMFOI-ZDUSSCGKSA-N 2 1 304.331 3.322 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868758 434068542 /nfs/dbraw/zinc/06/85/42/434068542.db2.gz VVQVGUVUICAPMR-ZSXDVEMLSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000422868758 434068548 /nfs/dbraw/zinc/06/85/48/434068548.db2.gz VVQVGUVUICAPMR-ZSXDVEMLSA-N 2 1 307.526 3.007 20 0 DGADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000450271290 434070714 /nfs/dbraw/zinc/07/07/14/434070714.db2.gz PPYCMXUXCNUUDF-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422877433 434071162 /nfs/dbraw/zinc/07/11/62/434071162.db2.gz HSUPWTYCALNYAW-GLIGQWPOSA-N 2 1 301.478 3.087 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881441 434074827 /nfs/dbraw/zinc/07/48/27/434074827.db2.gz NPPVHOJKKORPHD-AYOQOUSVSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881441 434074838 /nfs/dbraw/zinc/07/48/38/434074838.db2.gz NPPVHOJKKORPHD-AYOQOUSVSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881441 434074844 /nfs/dbraw/zinc/07/48/44/434074844.db2.gz NPPVHOJKKORPHD-AYOQOUSVSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000422881441 434074851 /nfs/dbraw/zinc/07/48/51/434074851.db2.gz NPPVHOJKKORPHD-AYOQOUSVSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000422881441 434074860 /nfs/dbraw/zinc/07/48/60/434074860.db2.gz NPPVHOJKKORPHD-AYOQOUSVSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422879727 434075655 /nfs/dbraw/zinc/07/56/55/434075655.db2.gz KXFYWBJZHKBXEA-BJLQDIEVSA-N 3 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422879727 434075664 /nfs/dbraw/zinc/07/56/64/434075664.db2.gz KXFYWBJZHKBXEA-BJLQDIEVSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422879727 434075673 /nfs/dbraw/zinc/07/56/73/434075673.db2.gz KXFYWBJZHKBXEA-BJLQDIEVSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422878773 434077875 /nfs/dbraw/zinc/07/78/75/434077875.db2.gz JWGFCOBZCRUTAX-GJJHYRHESA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422878773 434077884 /nfs/dbraw/zinc/07/78/84/434077884.db2.gz JWGFCOBZCRUTAX-GJJHYRHESA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422878773 434077895 /nfs/dbraw/zinc/07/78/95/434077895.db2.gz JWGFCOBZCRUTAX-GJJHYRHESA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422878773 434077903 /nfs/dbraw/zinc/07/79/03/434077903.db2.gz JWGFCOBZCRUTAX-GJJHYRHESA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422878773 434077912 /nfs/dbraw/zinc/07/79/12/434077912.db2.gz JWGFCOBZCRUTAX-GJJHYRHESA-N 2 1 315.505 3.479 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422884844 434082002 /nfs/dbraw/zinc/08/20/02/434082002.db2.gz FTUPMIGLQXZUJF-STQMWFEESA-N 2 1 303.381 3.228 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883233 434084319 /nfs/dbraw/zinc/08/43/19/434084319.db2.gz QEGDPABGHHYUIB-GUDVDZBRSA-N 3 1 309.542 3.399 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[C@H]1c1ccccc1 ZINC000340359465 434084327 /nfs/dbraw/zinc/08/43/27/434084327.db2.gz VAZMTNMYCONAEN-KSZLIROESA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[C@H]1c1ccccc1 ZINC000340359465 434084339 /nfs/dbraw/zinc/08/43/39/434084339.db2.gz VAZMTNMYCONAEN-KSZLIROESA-N 2 1 302.462 3.369 20 0 DGADMP CC1=CC[NH+](CCN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360803 434084707 /nfs/dbraw/zinc/08/47/07/434084707.db2.gz UXIIOUWKYBBCMO-VQTJNVASSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@H+](CCN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360803 434084719 /nfs/dbraw/zinc/08/47/19/434084719.db2.gz UXIIOUWKYBBCMO-VQTJNVASSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@@H+](CCN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360803 434084723 /nfs/dbraw/zinc/08/47/23/434084723.db2.gz UXIIOUWKYBBCMO-VQTJNVASSA-N 2 1 313.489 3.064 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340357860 434084849 /nfs/dbraw/zinc/08/48/49/434084849.db2.gz LJYZKCQMLDESHB-CEXWTWQISA-N 2 1 314.473 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340357860 434084858 /nfs/dbraw/zinc/08/48/58/434084858.db2.gz LJYZKCQMLDESHB-CEXWTWQISA-N 2 1 314.473 3.228 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000450297340 434088591 /nfs/dbraw/zinc/08/85/91/434088591.db2.gz IQUZMCBUMZNYHL-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP CN1CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C[C@H]1c1ccccc1 ZINC000340362348 434089173 /nfs/dbraw/zinc/08/91/73/434089173.db2.gz WBEJIFOHSHSBNQ-BZSNNMDCSA-N 2 1 316.470 3.207 20 0 DGADMP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346057679 434089343 /nfs/dbraw/zinc/08/93/43/434089343.db2.gz VMLBSKMAQGOVGW-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP O[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000285871687 434090524 /nfs/dbraw/zinc/09/05/24/434090524.db2.gz FAPKQYZSVWJHNB-LJQANCHMSA-N 2 1 302.462 3.060 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422895713 434091927 /nfs/dbraw/zinc/09/19/27/434091927.db2.gz GJIFGGYNQBKSDY-VXGBXAGGSA-N 2 1 303.269 3.260 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422898241 434092007 /nfs/dbraw/zinc/09/20/07/434092007.db2.gz LJVDXTHICHPJMV-UHFFFAOYSA-N 3 1 315.505 3.067 20 0 DGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422895540 434093204 /nfs/dbraw/zinc/09/32/04/434093204.db2.gz FZVNTLBYUJAAGN-YLJYHZDGSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422895879 434093307 /nfs/dbraw/zinc/09/33/07/434093307.db2.gz XCZKMTISTFIPKK-LIRRHRJNSA-N 2 1 318.509 3.010 20 0 DGADMP COCC[NH+]1CCC(N[C@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000353383995 434094936 /nfs/dbraw/zinc/09/49/36/434094936.db2.gz RKIGNAUQKLSPGQ-CYBMUJFWSA-N 2 1 320.408 3.333 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719906 434096953 /nfs/dbraw/zinc/09/69/53/434096953.db2.gz LVXXWEYMAHXHDK-SLFFLAALSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309719906 434096963 /nfs/dbraw/zinc/09/69/63/434096963.db2.gz LVXXWEYMAHXHDK-SLFFLAALSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719906 434096971 /nfs/dbraw/zinc/09/69/71/434096971.db2.gz LVXXWEYMAHXHDK-SLFFLAALSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1c[nH+]ccc1N ZINC000422901775 434097758 /nfs/dbraw/zinc/09/77/58/434097758.db2.gz CGOGJXJFKONCBP-GFCCVEGCSA-N 2 1 316.474 3.113 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422850269 434050181 /nfs/dbraw/zinc/05/01/81/434050181.db2.gz VUPXJIIEHBHDMR-QZTJIDSGSA-N 2 1 316.424 3.069 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000340309640 434051154 /nfs/dbraw/zinc/05/11/54/434051154.db2.gz GTDZGSXUNQWCOE-KSZLIROESA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000340309640 434051167 /nfs/dbraw/zinc/05/11/67/434051167.db2.gz GTDZGSXUNQWCOE-KSZLIROESA-N 2 1 302.462 3.369 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340307600 434052048 /nfs/dbraw/zinc/05/20/48/434052048.db2.gz HMXHZWBAGWGPON-VQTJNVASSA-N 2 1 309.457 3.439 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340307600 434052057 /nfs/dbraw/zinc/05/20/57/434052057.db2.gz HMXHZWBAGWGPON-VQTJNVASSA-N 2 1 309.457 3.439 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000422858504 434059775 /nfs/dbraw/zinc/05/97/75/434059775.db2.gz IVHUFUVIVOEMAC-WDEREUQCSA-N 2 1 303.269 3.260 20 0 DGADMP CC(C)(C)OCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309825325 434103186 /nfs/dbraw/zinc/10/31/86/434103186.db2.gz BBCNCVMERIAXDU-GUDVDZBRSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422914601 434105387 /nfs/dbraw/zinc/10/53/87/434105387.db2.gz UXRUNVGMGGLVEK-LPHOPBHVSA-N 2 1 303.494 3.147 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422914049 434106224 /nfs/dbraw/zinc/10/62/24/434106224.db2.gz ZYNSSJUTEADBCD-AKHDSKFASA-N 2 1 321.553 3.397 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000459478132 293978227 /nfs/dbraw/zinc/97/82/27/293978227.db2.gz ZGCBTRGETSMRMS-UHFFFAOYSA-N 2 1 320.506 3.403 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000310079960 434108245 /nfs/dbraw/zinc/10/82/45/434108245.db2.gz CKMVVYKRETXIPB-NSHDSACASA-N 2 1 315.280 3.182 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000422925991 434110594 /nfs/dbraw/zinc/11/05/94/434110594.db2.gz CEMIUZUEUUFVOR-SJLPKXTDSA-N 2 1 314.404 3.417 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422921177 434110969 /nfs/dbraw/zinc/11/09/69/434110969.db2.gz NORZLARRPRGMRC-JTDSTZFVSA-N 2 1 301.478 3.471 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422928047 434111434 /nfs/dbraw/zinc/11/14/34/434111434.db2.gz IQDLCSNOIQAZOL-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000285973535 434121769 /nfs/dbraw/zinc/12/17/69/434121769.db2.gz HHCQOKHRMGDXRU-QEJZJMRPSA-N 2 1 306.450 3.146 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000285973535 434121779 /nfs/dbraw/zinc/12/17/79/434121779.db2.gz HHCQOKHRMGDXRU-QEJZJMRPSA-N 2 1 306.450 3.146 20 0 DGADMP CO[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000363699354 434122021 /nfs/dbraw/zinc/12/20/21/434122021.db2.gz KVGDMRHDQDTUPV-KRWDZBQOSA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309936256 434101491 /nfs/dbraw/zinc/10/14/91/434101491.db2.gz YJLSGARYSOYKDU-MTFMMBMASA-N 2 1 316.489 3.444 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499208394 294080784 /nfs/dbraw/zinc/08/07/84/294080784.db2.gz BFYHRLFLDDCUGZ-CCQCEHTISA-N 2 1 314.473 3.075 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000500443124 294113401 /nfs/dbraw/zinc/11/34/01/294113401.db2.gz XZRGXRBJDMQGTI-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422944441 434126780 /nfs/dbraw/zinc/12/67/80/434126780.db2.gz SBPXLETVFNEMNK-QWRGUYRKSA-N 2 1 303.269 3.260 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000501895615 294153469 /nfs/dbraw/zinc/15/34/69/294153469.db2.gz AUNDUBVJQJWBIY-GOSISDBHSA-N 2 1 309.542 3.161 20 0 DGADMP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000502287022 294161608 /nfs/dbraw/zinc/16/16/08/294161608.db2.gz RDSHWAXNECJWKW-BEFAXECRSA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000502287022 294161611 /nfs/dbraw/zinc/16/16/11/294161611.db2.gz RDSHWAXNECJWKW-BEFAXECRSA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000502287022 294161614 /nfs/dbraw/zinc/16/16/14/294161614.db2.gz RDSHWAXNECJWKW-BEFAXECRSA-N 2 1 304.478 3.420 20 0 DGADMP Cc1cc(OCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C(C)C ZINC000502551913 294169084 /nfs/dbraw/zinc/16/90/84/294169084.db2.gz AVDNETXBJYZUEP-KRWDZBQOSA-N 2 1 304.478 3.381 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C(C)C ZINC000502551913 294169087 /nfs/dbraw/zinc/16/90/87/294169087.db2.gz AVDNETXBJYZUEP-KRWDZBQOSA-N 2 1 304.478 3.381 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1F ZINC000503863223 294202737 /nfs/dbraw/zinc/20/27/37/294202737.db2.gz ZGWMEPMWZGTJES-QBPKDAKJSA-N 2 1 318.436 3.297 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)C2)cc1F ZINC000503907787 294204177 /nfs/dbraw/zinc/20/41/77/294204177.db2.gz JARQQYALJKVEBC-NZUILWFCSA-N 2 1 306.425 3.010 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC000503907787 294204180 /nfs/dbraw/zinc/20/41/80/294204180.db2.gz JARQQYALJKVEBC-NZUILWFCSA-N 2 1 306.425 3.010 20 0 DGADMP CCC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C1CC1 ZINC000507251583 294291249 /nfs/dbraw/zinc/29/12/49/294291249.db2.gz JCPUWFXFDJEUFW-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCOC1 ZINC000507485118 294300817 /nfs/dbraw/zinc/30/08/17/294300817.db2.gz KTWNJPCKQVNANH-WDSOQIARSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(C)c1cccc(OCCC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000509046428 294338842 /nfs/dbraw/zinc/33/88/42/294338842.db2.gz OXWSLLRCIUKSQH-LJQANCHMSA-N 2 1 304.478 3.424 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(C)(C)C)CC1 ZINC000510632642 294387706 /nfs/dbraw/zinc/38/77/06/294387706.db2.gz HXZFADBNBTXJEU-UHFFFAOYSA-N 2 1 303.494 3.306 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(Cl)c1 ZINC000422950692 434134018 /nfs/dbraw/zinc/13/40/18/434134018.db2.gz WNISKUSJVOBLNO-RDTXWAMCSA-N 2 1 318.848 3.267 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950973 434135060 /nfs/dbraw/zinc/13/50/60/434135060.db2.gz ZGWKEUKFSZZKGY-SUMWQHHRSA-N 2 1 320.383 3.336 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)c1OC ZINC000353442908 434136111 /nfs/dbraw/zinc/13/61/11/434136111.db2.gz DJTSWBSTWQAXKR-OAHLLOKOSA-N 2 1 322.493 3.263 20 0 DGADMP Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)nc1C ZINC000313821661 434138539 /nfs/dbraw/zinc/13/85/39/434138539.db2.gz KXDXIEGQGHJEIT-UHFFFAOYSA-N 2 1 309.457 3.453 20 0 DGADMP C[C@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1C[NH2+]C1 ZINC000422965809 434143743 /nfs/dbraw/zinc/14/37/43/434143743.db2.gz MBKYZUGIHANTFM-INIZCTEOSA-N 2 1 323.484 3.113 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422974476 434147092 /nfs/dbraw/zinc/14/70/92/434147092.db2.gz RCWLTHDXEYZALQ-MAUKXSAKSA-N 2 1 317.477 3.271 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000340467219 434147899 /nfs/dbraw/zinc/14/78/99/434147899.db2.gz XYFQFCWUEHTNRQ-LBPRGKRZSA-N 2 1 305.397 3.223 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](CCCO)c1ccccc1 ZINC000422983158 434152716 /nfs/dbraw/zinc/15/27/16/434152716.db2.gz YROGJDRUNNENCO-DBVUQKKJSA-N 2 1 312.457 3.048 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)COC4)CC[NH2+]2)cc1 ZINC000422986573 434153433 /nfs/dbraw/zinc/15/34/33/434153433.db2.gz CTKXYEBCIQKVSV-VQTJNVASSA-N 2 1 308.425 3.300 20 0 DGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000423011112 434165974 /nfs/dbraw/zinc/16/59/74/434165974.db2.gz ZAEOAINWZXOQGZ-GBESFXJTSA-N 3 1 309.542 3.396 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccncc3F)CC2)[nH+]1 ZINC000340479046 434159876 /nfs/dbraw/zinc/15/98/76/434159876.db2.gz UPJRLEIDQOZYBI-AWEZNQCLSA-N 2 1 314.408 3.244 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C/c1ccc(F)cc1 ZINC000378373542 434163598 /nfs/dbraw/zinc/16/35/98/434163598.db2.gz TYRBZQHGEYMNEP-QJBHJQBQSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C/c1ccc(F)cc1 ZINC000378373542 434163611 /nfs/dbraw/zinc/16/36/11/434163611.db2.gz TYRBZQHGEYMNEP-QJBHJQBQSA-N 2 1 318.436 3.022 20 0 DGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1c[nH+]ccc1N ZINC000423018222 434168673 /nfs/dbraw/zinc/16/86/73/434168673.db2.gz YNYMQFICWBDEOG-LLVKDONJSA-N 2 1 303.356 3.155 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340516428 434175178 /nfs/dbraw/zinc/17/51/78/434175178.db2.gz WTWWYNLDOQXVPW-XMTFNYHQSA-N 2 1 306.494 3.188 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCCC1 ZINC000340518513 434180163 /nfs/dbraw/zinc/18/01/63/434180163.db2.gz KOKZDJLTKKKPJQ-TVFCKZIOSA-N 2 1 306.494 3.044 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000319251598 434220456 /nfs/dbraw/zinc/22/04/56/434220456.db2.gz OIKQDJOCTCNSJI-HDICACEKSA-N 2 1 302.462 3.004 20 0 DGADMP CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000295079405 434186554 /nfs/dbraw/zinc/18/65/54/434186554.db2.gz RAXMYQWNANXFJC-NEWSRXKRSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000295079405 434186562 /nfs/dbraw/zinc/18/65/62/434186562.db2.gz RAXMYQWNANXFJC-NEWSRXKRSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295079405 434186572 /nfs/dbraw/zinc/18/65/72/434186572.db2.gz RAXMYQWNANXFJC-NEWSRXKRSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295079405 434186577 /nfs/dbraw/zinc/18/65/77/434186577.db2.gz RAXMYQWNANXFJC-NEWSRXKRSA-N 2 1 304.478 3.132 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000353512735 434189469 /nfs/dbraw/zinc/18/94/69/434189469.db2.gz QVRMQQHORPDGBP-XEVCZEQESA-N 2 1 316.489 3.038 20 0 DGADMP CC(=O)c1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000450449024 434191212 /nfs/dbraw/zinc/19/12/12/434191212.db2.gz BFBARNQXKXROJR-GOSISDBHSA-N 2 1 300.446 3.053 20 0 DGADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423076783 434206554 /nfs/dbraw/zinc/20/65/54/434206554.db2.gz ZTDCVFVDVNHMPR-CWRNSKLLSA-N 2 1 314.429 3.452 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000437086631 434210690 /nfs/dbraw/zinc/21/06/90/434210690.db2.gz LCNKXBDEYBEKPY-SOLBZPMBSA-N 2 1 303.494 3.350 20 0 DGADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090500 434215129 /nfs/dbraw/zinc/21/51/29/434215129.db2.gz XVCPNMNZNUPYQU-FJIDUMEYSA-N 3 1 307.526 3.007 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090500 434215142 /nfs/dbraw/zinc/21/51/42/434215142.db2.gz XVCPNMNZNUPYQU-FJIDUMEYSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295126128 434217556 /nfs/dbraw/zinc/21/75/56/434217556.db2.gz XIPPUYAHTDJCCC-QXCFHYIPSA-N 2 1 316.489 3.036 20 0 DGADMP C[C@@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1c[nH+]ccc1N ZINC000423165967 434256481 /nfs/dbraw/zinc/25/64/81/434256481.db2.gz YOPRVRAOSPPXAM-SNVBAGLBSA-N 2 1 309.772 3.016 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000379616178 434258420 /nfs/dbraw/zinc/25/84/20/434258420.db2.gz BTDUOMMWZRNUSP-BHIYHBOVSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000423167867 434263224 /nfs/dbraw/zinc/26/32/24/434263224.db2.gz FWNGCBHVHGWDQB-KXBFYZLASA-N 2 1 311.473 3.427 20 0 DGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181871 434267691 /nfs/dbraw/zinc/26/76/91/434267691.db2.gz DFXHQMYMJQIXRM-KUHUBIRLSA-N 2 1 313.420 3.224 20 0 DGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357959569 434268468 /nfs/dbraw/zinc/26/84/68/434268468.db2.gz KRQMWTXCRVAUHM-CHWSQXEVSA-N 2 1 323.868 3.213 20 0 DGADMP Cc1ccc(Br)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423176948 434268786 /nfs/dbraw/zinc/26/87/86/434268786.db2.gz GTKZTOJUFSWZDS-DOMZBBRYSA-N 2 1 311.267 3.235 20 0 DGADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186998 434272576 /nfs/dbraw/zinc/27/25/76/434272576.db2.gz KSLXHRZVJSPFHU-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340659047 434274070 /nfs/dbraw/zinc/27/40/70/434274070.db2.gz MSENXIARYIIKEF-UHFFFAOYSA-N 2 1 305.466 3.496 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340659047 434274076 /nfs/dbraw/zinc/27/40/76/434274076.db2.gz MSENXIARYIIKEF-UHFFFAOYSA-N 2 1 305.466 3.496 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000295135556 434223584 /nfs/dbraw/zinc/22/35/84/434223584.db2.gz ZAJGYLVHCWRITL-LNRIEFBSSA-N 2 1 320.452 3.228 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3c[nH+]ccc3N)C2)cc1F ZINC000423116396 434227344 /nfs/dbraw/zinc/22/73/44/434227344.db2.gz PRSLOBRKZRQLTF-MRVWCRGKSA-N 2 1 315.392 3.239 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423118356 434229457 /nfs/dbraw/zinc/22/94/57/434229457.db2.gz ADSBNJNSXZOUON-YMTOWFKASA-N 2 1 322.321 3.461 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423114032 434229524 /nfs/dbraw/zinc/22/95/24/434229524.db2.gz ZTSCIOCQUFJGTO-TZMCWYRMSA-N 2 1 313.392 3.083 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295160552 434233798 /nfs/dbraw/zinc/23/37/98/434233798.db2.gz SDGHBISANBZLCD-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295160552 434233811 /nfs/dbraw/zinc/23/38/11/434233811.db2.gz SDGHBISANBZLCD-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000353573029 434237267 /nfs/dbraw/zinc/23/72/67/434237267.db2.gz GWSRAOGJGAPHPS-WSTZPKSXSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353573029 434237273 /nfs/dbraw/zinc/23/72/73/434237273.db2.gz GWSRAOGJGAPHPS-WSTZPKSXSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353573029 434237282 /nfs/dbraw/zinc/23/72/82/434237282.db2.gz GWSRAOGJGAPHPS-WSTZPKSXSA-N 2 1 317.521 3.358 20 0 DGADMP CCSc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423133358 434238410 /nfs/dbraw/zinc/23/84/10/434238410.db2.gz QIYPPNMLARKZTG-KZNAEPCWSA-N 2 1 320.502 3.045 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423200031 434281080 /nfs/dbraw/zinc/28/10/80/434281080.db2.gz LLVWFIBMLITHFQ-GOEBONIOSA-N 2 1 324.440 3.034 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1c1ccccc1 ZINC000328359710 434282870 /nfs/dbraw/zinc/28/28/70/434282870.db2.gz PPGGBHVDHZRKNI-UXHICEINSA-N 2 1 316.489 3.258 20 0 DGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423211762 434283948 /nfs/dbraw/zinc/28/39/48/434283948.db2.gz YUNJKUDBMCEJNZ-FUHWJXTLSA-N 2 1 302.462 3.304 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1OC(F)F ZINC000423208927 434285989 /nfs/dbraw/zinc/28/59/89/434285989.db2.gz FPENUINNMUBEKW-KYTZWMPUSA-N 2 1 314.351 3.361 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000423209729 434286110 /nfs/dbraw/zinc/28/61/10/434286110.db2.gz JKHRFBAMTNFBSJ-SWLSCSKDSA-N 2 1 311.267 3.489 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000450605008 434288760 /nfs/dbraw/zinc/28/87/60/434288760.db2.gz YCUOLAGWADXUDH-BMGDILEWSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000450605008 434288770 /nfs/dbraw/zinc/28/87/70/434288770.db2.gz YCUOLAGWADXUDH-BMGDILEWSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000383942462 434288964 /nfs/dbraw/zinc/28/89/64/434288964.db2.gz VKBUNPXKCHWHBR-QHAWAJNXSA-N 2 1 321.468 3.390 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353638549 434294384 /nfs/dbraw/zinc/29/43/84/434294384.db2.gz SFTYKLFWOSIBRY-OALUTQOASA-N 2 1 309.457 3.478 20 0 DGADMP CSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000358026428 434294825 /nfs/dbraw/zinc/29/48/25/434294825.db2.gz BKYXRGAYGALDCN-YESZJQIVSA-N 2 1 320.502 3.092 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC23CCC3)CC1 ZINC000353645959 434297369 /nfs/dbraw/zinc/29/73/69/434297369.db2.gz HIZXLRRTVABWIP-UHFFFAOYSA-N 2 1 313.489 3.347 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CCCC[NH2+]1 ZINC000385994537 434302648 /nfs/dbraw/zinc/30/26/48/434302648.db2.gz FKIUWJQAFPWIMP-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP C[NH+](C)Cc1cnc(CN2CC[C@H](C(F)(F)F)C2(C)C)s1 ZINC000348402715 434303638 /nfs/dbraw/zinc/30/36/38/434303638.db2.gz FVAWVGQIHYXXRG-NSHDSACASA-N 2 1 321.412 3.368 20 0 DGADMP C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000340690837 434303691 /nfs/dbraw/zinc/30/36/91/434303691.db2.gz MUBPUPGOFRTJTF-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000340690837 434303699 /nfs/dbraw/zinc/30/36/99/434303699.db2.gz MUBPUPGOFRTJTF-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1cnc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000340692723 434304429 /nfs/dbraw/zinc/30/44/29/434304429.db2.gz OEPXRMMUCPIUDQ-KRWDZBQOSA-N 2 1 316.493 3.262 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Br)c1)C[NH+](C)C ZINC000386538860 434311439 /nfs/dbraw/zinc/31/14/39/434311439.db2.gz QVTPLIZYMWSHJN-QWRGUYRKSA-N 2 1 317.246 3.437 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000358065124 434313114 /nfs/dbraw/zinc/31/31/14/434313114.db2.gz RLWALIDAVDPBQN-FQEVSTJZSA-N 2 1 324.472 3.223 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450647793 434314749 /nfs/dbraw/zinc/31/47/49/434314749.db2.gz XKQQMFMEJMIOSM-UHFFFAOYSA-N 2 1 318.452 3.102 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423260613 434320962 /nfs/dbraw/zinc/32/09/62/434320962.db2.gz HRFJKLMBTGDXPG-KXBFYZLASA-N 2 1 312.461 3.431 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000353671676 434323029 /nfs/dbraw/zinc/32/30/29/434323029.db2.gz LRHPBVRGTVFWRI-KGLIPLIRSA-N 2 1 324.490 3.450 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423265668 434323212 /nfs/dbraw/zinc/32/32/12/434323212.db2.gz RCRBLJCIJDSCPF-RHSMWYFYSA-N 2 1 320.481 3.241 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103177 434325004 /nfs/dbraw/zinc/32/50/04/434325004.db2.gz VTRCRGPWIPZICI-QRVBRYPASA-N 2 1 307.526 3.151 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103177 434325017 /nfs/dbraw/zinc/32/50/17/434325017.db2.gz VTRCRGPWIPZICI-QRVBRYPASA-N 3 1 307.526 3.151 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103177 434325028 /nfs/dbraw/zinc/32/50/28/434325028.db2.gz VTRCRGPWIPZICI-QRVBRYPASA-N 3 1 307.526 3.151 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423275996 434332958 /nfs/dbraw/zinc/33/29/58/434332958.db2.gz NWLRQWNPEGOYBF-BXUZGUMPSA-N 2 1 304.463 3.147 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423322423 434361205 /nfs/dbraw/zinc/36/12/05/434361205.db2.gz HCCRYWQYLLAJSG-OAHLLOKOSA-N 3 1 312.461 3.221 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CCC1 ZINC000423328718 434365374 /nfs/dbraw/zinc/36/53/74/434365374.db2.gz OFKPCDKCAPZCPE-AWEZNQCLSA-N 2 1 309.251 3.298 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)CC[N@H+]1C ZINC000287466225 434365470 /nfs/dbraw/zinc/36/54/70/434365470.db2.gz MDYAZEQVFZTKHC-BBRMVZONSA-N 2 1 305.853 3.367 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000423327292 434366474 /nfs/dbraw/zinc/36/64/74/434366474.db2.gz KBXLSGAZOFQTNA-ZOCIIQOWSA-N 2 1 302.462 3.309 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C)O1 ZINC000390711681 434366666 /nfs/dbraw/zinc/36/66/66/434366666.db2.gz WXSHQPNQHLMBHW-KCITZHQASA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C)O1 ZINC000390711681 434366675 /nfs/dbraw/zinc/36/66/75/434366675.db2.gz WXSHQPNQHLMBHW-KCITZHQASA-N 2 1 316.489 3.443 20 0 DGADMP CSc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000366230187 434367430 /nfs/dbraw/zinc/36/74/30/434367430.db2.gz CAYBSUFPCQGNKM-AEGPPILISA-N 2 1 324.465 3.061 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1F ZINC000366230187 434367439 /nfs/dbraw/zinc/36/74/39/434367439.db2.gz CAYBSUFPCQGNKM-AEGPPILISA-N 2 1 324.465 3.061 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348522232 434371147 /nfs/dbraw/zinc/37/11/47/434371147.db2.gz WFOPPHDRLSIGFM-MOPGFXCFSA-N 2 1 313.445 3.309 20 0 DGADMP CCOc1ccc([C@@H](CC)[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000423340601 434371302 /nfs/dbraw/zinc/37/13/02/434371302.db2.gz XNPUTUCKPZFTOF-OAHLLOKOSA-N 2 1 306.450 3.406 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C1CC1 ZINC000423336013 434372764 /nfs/dbraw/zinc/37/27/64/434372764.db2.gz XPNLDLYEZKVJCI-MSOLQXFVSA-N 2 1 315.848 3.346 20 0 DGADMP Fc1cccc(OC(F)F)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358185935 434373719 /nfs/dbraw/zinc/37/37/19/434373719.db2.gz HPIGKXFKOGNAOH-RYUDHWBXSA-N 2 1 314.351 3.144 20 0 DGADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000423359098 434381787 /nfs/dbraw/zinc/38/17/87/434381787.db2.gz KEDYHFADEUTSJL-XJKSGUPXSA-N 2 1 316.424 3.113 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1F ZINC000423365619 434384678 /nfs/dbraw/zinc/38/46/78/434384678.db2.gz KPZFUARYYRXRPZ-GYSYKLTISA-N 2 1 300.805 3.026 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423378768 434392104 /nfs/dbraw/zinc/39/21/04/434392104.db2.gz ZUWHBIHIGRKDFL-ZYHUDNBSSA-N 2 1 315.230 3.381 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)sc1Br ZINC000423275287 434335184 /nfs/dbraw/zinc/33/51/84/434335184.db2.gz LLEMUSQSABPORY-WCBMZHEXSA-N 2 1 303.269 3.207 20 0 DGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423286136 434340513 /nfs/dbraw/zinc/34/05/13/434340513.db2.gz ZRKZTVPGYFCYEL-HUUCEWRRSA-N 2 1 309.251 3.153 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423294828 434342816 /nfs/dbraw/zinc/34/28/16/434342816.db2.gz CVHUQEPMOPBUKX-UHOSZYNNSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423288347 434343830 /nfs/dbraw/zinc/34/38/30/434343830.db2.gz RUBMKDACVHSTEY-HIFRSBDPSA-N 2 1 324.440 3.162 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423296994 434348908 /nfs/dbraw/zinc/34/89/08/434348908.db2.gz IHTUINUBLBNCMN-MTQWCTHYSA-N 3 1 315.505 3.004 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423299388 434350067 /nfs/dbraw/zinc/35/00/67/434350067.db2.gz PZYZXZOTBFCJCP-GUYCJALGSA-N 2 1 318.465 3.139 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423296335 434352200 /nfs/dbraw/zinc/35/22/00/434352200.db2.gz GQSPEFUSYLGQQM-OLMNPRSZSA-N 2 1 308.441 3.401 20 0 DGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000437852491 434352401 /nfs/dbraw/zinc/35/24/01/434352401.db2.gz QKVDFBCHXWMWES-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000389850971 434353586 /nfs/dbraw/zinc/35/35/86/434353586.db2.gz VJEIJXAQNVTCIW-DOVSJBTNSA-N 2 1 321.468 3.241 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000390314674 434356664 /nfs/dbraw/zinc/35/66/64/434356664.db2.gz ONQZGULLDZFQBM-MRXNPFEDSA-N 2 1 320.477 3.476 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000423317889 434358498 /nfs/dbraw/zinc/35/84/98/434358498.db2.gz KUODDDFXTIYCAZ-CABCVRRESA-N 2 1 314.351 3.363 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000353749229 434395996 /nfs/dbraw/zinc/39/59/96/434395996.db2.gz VDULXAZEVXTDQC-APWZRJJASA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000353749229 434396006 /nfs/dbraw/zinc/39/60/06/434396006.db2.gz VDULXAZEVXTDQC-APWZRJJASA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000353749229 434396015 /nfs/dbraw/zinc/39/60/15/434396015.db2.gz VDULXAZEVXTDQC-APWZRJJASA-N 2 1 312.461 3.177 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000423381799 434396126 /nfs/dbraw/zinc/39/61/26/434396126.db2.gz OPLWPYFKOKSHTJ-JFGNBEQYSA-N 2 1 302.340 3.218 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438090192 434399652 /nfs/dbraw/zinc/39/96/52/434399652.db2.gz UDGSDPCFPWYPHG-MSOLQXFVSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1F ZINC000423390911 434399926 /nfs/dbraw/zinc/39/99/26/434399926.db2.gz WMEBCJXGDIUDKP-CKYFFXLPSA-N 2 1 315.230 3.379 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(-n3cccn3)c2)C[C@H]1C ZINC000353754148 434402009 /nfs/dbraw/zinc/40/20/09/434402009.db2.gz YFXPDJYWVAEQKN-SJLPKXTDSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(-n3cccn3)c2)C[C@H]1C ZINC000353754148 434402014 /nfs/dbraw/zinc/40/20/14/434402014.db2.gz YFXPDJYWVAEQKN-SJLPKXTDSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(-n3cccn3)c2)C[C@H]1C ZINC000353754148 434402024 /nfs/dbraw/zinc/40/20/24/434402024.db2.gz YFXPDJYWVAEQKN-SJLPKXTDSA-N 2 1 312.461 3.177 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000358657584 434403109 /nfs/dbraw/zinc/40/31/09/434403109.db2.gz CKJMCQPIVLIDAK-QUCCMNQESA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000358657584 434403114 /nfs/dbraw/zinc/40/31/14/434403114.db2.gz CKJMCQPIVLIDAK-QUCCMNQESA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000358657584 434403124 /nfs/dbraw/zinc/40/31/24/434403124.db2.gz CKJMCQPIVLIDAK-QUCCMNQESA-N 2 1 317.521 3.359 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103775 434409950 /nfs/dbraw/zinc/40/99/50/434409950.db2.gz VNZXLLPVLGUJQI-BBRMVZONSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103775 434409959 /nfs/dbraw/zinc/40/99/59/434409959.db2.gz VNZXLLPVLGUJQI-BBRMVZONSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103775 434409968 /nfs/dbraw/zinc/40/99/68/434409968.db2.gz VNZXLLPVLGUJQI-BBRMVZONSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103775 434409976 /nfs/dbraw/zinc/40/99/76/434409976.db2.gz VNZXLLPVLGUJQI-BBRMVZONSA-N 2 1 318.490 3.443 20 0 DGADMP Fc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423487313 434448202 /nfs/dbraw/zinc/44/82/02/434448202.db2.gz CKBJYPPKNCWGMD-ZWKOTPCHSA-N 2 1 306.425 3.025 20 0 DGADMP Fc1cccc(C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(F)c2)c1 ZINC000423429757 434418451 /nfs/dbraw/zinc/41/84/51/434418451.db2.gz KNWYIMCPZDDKNB-HCXYKTFWSA-N 2 1 314.379 3.056 20 0 DGADMP Clc1ccc([C@H](CC2CC2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423485783 434448531 /nfs/dbraw/zinc/44/85/31/434448531.db2.gz BFXUETMSWBUDQK-SJORKVTESA-N 2 1 308.853 3.149 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967687 434428954 /nfs/dbraw/zinc/42/89/54/434428954.db2.gz JZUAVCUPUFSZGL-ROUUACIJSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967687 434428962 /nfs/dbraw/zinc/42/89/62/434428962.db2.gz JZUAVCUPUFSZGL-ROUUACIJSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423463507 434435209 /nfs/dbraw/zinc/43/52/09/434435209.db2.gz LGKSTQKMEBTINM-FLFBIERCSA-N 2 1 315.505 3.003 20 0 DGADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423500937 434458912 /nfs/dbraw/zinc/45/89/12/434458912.db2.gz DJCYMHVQXZTBDL-LPHOPBHVSA-N 2 1 320.477 3.285 20 0 DGADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423500939 434460914 /nfs/dbraw/zinc/46/09/14/434460914.db2.gz DJCYMHVQXZTBDL-VQIMIIECSA-N 2 1 320.477 3.285 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2nc3cccc(Cl)c3n2C)[C@@H](C)C1 ZINC000359996215 434469206 /nfs/dbraw/zinc/46/92/06/434469206.db2.gz VUIZYUVBNMIWQI-JSGCOSHPSA-N 2 1 320.868 3.047 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000423515461 434472146 /nfs/dbraw/zinc/47/21/46/434472146.db2.gz NHBKRKZWEANJQK-OXQOHEQNSA-N 2 1 310.441 3.383 20 0 DGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000423526830 434475982 /nfs/dbraw/zinc/47/59/82/434475982.db2.gz LRCOBDAMRSRGEU-HOTGVXAUSA-N 2 1 304.434 3.016 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)on1 ZINC000348758000 434480238 /nfs/dbraw/zinc/48/02/38/434480238.db2.gz ZUEWBWPDGQIUKC-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000401802118 434499605 /nfs/dbraw/zinc/49/96/05/434499605.db2.gz NRZZHAZFSSLBTR-HNNXBMFYSA-N 2 1 322.250 3.466 20 0 DGADMP CC(F)(F)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000296082341 434499783 /nfs/dbraw/zinc/49/97/83/434499783.db2.gz QQPOOPJYYLCHEH-UHFFFAOYSA-N 2 1 314.395 3.468 20 0 DGADMP Cc1noc(C2CCC([NH2+]CCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000366557087 434449345 /nfs/dbraw/zinc/44/93/45/434449345.db2.gz RGQFOBOZPHWCOX-ODIFPOPNSA-N 2 1 320.481 3.258 20 0 DGADMP c1ccc(CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423495229 434455607 /nfs/dbraw/zinc/45/56/07/434455607.db2.gz UCNLXCONACCDNM-SFTDATJTSA-N 2 1 324.468 3.329 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000438335965 434457895 /nfs/dbraw/zinc/45/78/95/434457895.db2.gz SERSEQNIKIBNNT-SFHVURJKSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000438335965 434457901 /nfs/dbraw/zinc/45/79/01/434457901.db2.gz SERSEQNIKIBNNT-SFHVURJKSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000438335965 434457911 /nfs/dbraw/zinc/45/79/11/434457911.db2.gz SERSEQNIKIBNNT-SFHVURJKSA-N 2 1 318.505 3.237 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000353988848 434560289 /nfs/dbraw/zinc/56/02/89/434560289.db2.gz YHTMEWVRBHOSOU-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000353988848 434560294 /nfs/dbraw/zinc/56/02/94/434560294.db2.gz YHTMEWVRBHOSOU-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n(C)n1 ZINC000417792340 434522613 /nfs/dbraw/zinc/52/26/13/434522613.db2.gz YEJMQIMTTCYYCY-QGZVFWFLSA-N 2 1 318.509 3.205 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C3CCC3)cc2)CC1 ZINC000353915626 434523267 /nfs/dbraw/zinc/52/32/67/434523267.db2.gz MWKYHXPPJBAJSE-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998145 434526431 /nfs/dbraw/zinc/52/64/31/434526431.db2.gz LCOGMJAWJLFDJZ-INIZCTEOSA-N 2 1 321.896 3.336 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998145 434526438 /nfs/dbraw/zinc/52/64/38/434526438.db2.gz LCOGMJAWJLFDJZ-INIZCTEOSA-N 2 1 321.896 3.336 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998145 434526443 /nfs/dbraw/zinc/52/64/43/434526443.db2.gz LCOGMJAWJLFDJZ-INIZCTEOSA-N 2 1 321.896 3.336 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998145 434526451 /nfs/dbraw/zinc/52/64/51/434526451.db2.gz LCOGMJAWJLFDJZ-INIZCTEOSA-N 2 1 321.896 3.336 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000353923783 434527387 /nfs/dbraw/zinc/52/73/87/434527387.db2.gz APGZUQFBLRDRSP-BDXSIMOUSA-N 2 1 324.509 3.208 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@@H]1C ZINC000353932961 434533495 /nfs/dbraw/zinc/53/34/95/434533495.db2.gz UHSVJVDMJZEVCO-MHORFTMASA-N 2 1 324.509 3.066 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000353933925 434534778 /nfs/dbraw/zinc/53/47/78/434534778.db2.gz WZNQYXPPLJCCRT-HFCFLWKCSA-N 2 1 324.509 3.208 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000360153015 434535445 /nfs/dbraw/zinc/53/54/45/434535445.db2.gz AZAZJOFWKRLJPG-UHFFFAOYSA-N 2 1 318.509 3.138 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360244093 434558933 /nfs/dbraw/zinc/55/89/33/434558933.db2.gz ZIJXXAXBWHWQAP-SJLPKXTDSA-N 2 1 322.880 3.154 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527630538 295106443 /nfs/dbraw/zinc/10/64/43/295106443.db2.gz DHHBPGCJEIWOKC-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000527631952 295106940 /nfs/dbraw/zinc/10/69/40/295106940.db2.gz LDHMBENXIKFUPO-UHFFFAOYSA-N 2 1 316.367 3.290 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527718241 295120291 /nfs/dbraw/zinc/12/02/91/295120291.db2.gz HHEJRVAMIPWRES-LLVKDONJSA-N 2 1 302.796 3.440 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OCC ZINC000527741665 295124092 /nfs/dbraw/zinc/12/40/92/295124092.db2.gz ABUPEMLJGBETRV-IBGZPJMESA-N 2 1 304.478 3.446 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527797056 295132174 /nfs/dbraw/zinc/13/21/74/295132174.db2.gz CARLZAXFSZZJAN-HZPDHXFCSA-N 2 1 315.436 3.374 20 0 DGADMP CC(C)c1cccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000527860802 295141790 /nfs/dbraw/zinc/14/17/90/295141790.db2.gz YDGOMSCRNZWYGH-GOSISDBHSA-N 2 1 317.521 3.488 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925370 295151129 /nfs/dbraw/zinc/15/11/29/295151129.db2.gz ARRIZOWRZGCZSW-QINHECLXSA-N 2 1 300.490 3.500 20 0 DGADMP COCCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000527935598 295153339 /nfs/dbraw/zinc/15/33/39/295153339.db2.gz MKPGJTPWYSKSEC-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459368800 434569419 /nfs/dbraw/zinc/56/94/19/434569419.db2.gz DFIUVOLVVTZHEW-KZNAEPCWSA-N 2 1 322.518 3.007 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)cn1 ZINC000528042181 295170545 /nfs/dbraw/zinc/17/05/45/295170545.db2.gz DJTLUKPXAFIVTO-SFHVURJKSA-N 2 1 303.450 3.004 20 0 DGADMP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000459405901 434578885 /nfs/dbraw/zinc/57/88/85/434578885.db2.gz OIDWECGHQCZXFB-HXUWFJFHSA-N 2 1 319.537 3.248 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528571622 295226892 /nfs/dbraw/zinc/22/68/92/295226892.db2.gz MKIHNSBRWBPGGL-UHFFFAOYSA-N 2 1 317.408 3.035 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000414180548 295301496 /nfs/dbraw/zinc/30/14/96/295301496.db2.gz LMONVRNDWLUVMI-UZLBHIALSA-N 2 1 316.489 3.338 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000481053966 295357669 /nfs/dbraw/zinc/35/76/69/295357669.db2.gz QVYQBIIISPPTND-SJLPKXTDSA-N 2 1 316.489 3.437 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424144300 434637618 /nfs/dbraw/zinc/63/76/18/434637618.db2.gz LBRIYDOEYBHWRN-NJAFHUGGSA-N 2 1 323.525 3.005 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000459640608 434643879 /nfs/dbraw/zinc/64/38/79/434643879.db2.gz XHOLWQCSCQVOBG-LULLPPNCSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000459640608 434643885 /nfs/dbraw/zinc/64/38/85/434643885.db2.gz XHOLWQCSCQVOBG-LULLPPNCSA-N 2 1 302.462 3.197 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000360412923 434599018 /nfs/dbraw/zinc/59/90/18/434599018.db2.gz JKIUTYGBBRVKBM-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000354078551 434605117 /nfs/dbraw/zinc/60/51/17/434605117.db2.gz ULDNSJKPMCCWKK-KRWDZBQOSA-N 2 1 315.461 3.101 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360617139 434648164 /nfs/dbraw/zinc/64/81/64/434648164.db2.gz VSGZBJJAIWREFE-PMPSAXMXSA-N 2 1 312.461 3.100 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]3C3CCC3)sc2C1 ZINC000424191257 434653084 /nfs/dbraw/zinc/65/30/84/434653084.db2.gz HBQXSELXSVXHQZ-DZGCQCFKSA-N 2 1 305.491 3.188 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]3C3CCC3)sc2C1 ZINC000424191257 434653089 /nfs/dbraw/zinc/65/30/89/434653089.db2.gz HBQXSELXSVXHQZ-DZGCQCFKSA-N 2 1 305.491 3.188 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354188619 434662012 /nfs/dbraw/zinc/66/20/12/434662012.db2.gz MMAODDAJBWXSMU-NXEWRWPSSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1ccccc1CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371302167 434664012 /nfs/dbraw/zinc/66/40/12/434664012.db2.gz XTTZLYMDUCRWGQ-VAMGGRTRSA-N 2 1 316.489 3.111 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@H]1C ZINC000354201300 434668936 /nfs/dbraw/zinc/66/89/36/434668936.db2.gz YEDPPLGBOAHZTH-QAETUUGQSA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@H]1C ZINC000354201300 434668943 /nfs/dbraw/zinc/66/89/43/434668943.db2.gz YEDPPLGBOAHZTH-QAETUUGQSA-N 2 1 324.509 3.064 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(C(F)F)CC2)s1 ZINC000459722029 434676511 /nfs/dbraw/zinc/67/65/11/434676511.db2.gz YWPPTKGOKVSGBY-UHFFFAOYSA-N 2 1 303.422 3.118 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)OC(C)C ZINC000349338796 434679619 /nfs/dbraw/zinc/67/96/19/434679619.db2.gz AWVCSRIDOBOTMD-WDYCEAGBSA-N 2 1 320.477 3.091 20 0 DGADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C2CCCCC2)n1 ZINC000459726872 434681177 /nfs/dbraw/zinc/68/11/77/434681177.db2.gz BYWXEBFCYFPNIH-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424296907 434683610 /nfs/dbraw/zinc/68/36/10/434683610.db2.gz SLLWUAXETAHPTN-INIZCTEOSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H]1CC2(C[N@@H+]1Cc1ncc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424299908 434685854 /nfs/dbraw/zinc/68/58/54/434685854.db2.gz WERHITKPCFLWBY-NSHDSACASA-N 2 1 314.260 3.352 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424299908 434685861 /nfs/dbraw/zinc/68/58/61/434685861.db2.gz WERHITKPCFLWBY-NSHDSACASA-N 2 1 314.260 3.352 20 0 DGADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424301573 434686149 /nfs/dbraw/zinc/68/61/49/434686149.db2.gz XRVIHASUEPPPNS-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000459743117 434689969 /nfs/dbraw/zinc/68/99/69/434689969.db2.gz WFMMBAKMRSNLKN-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP c1ncc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000411232084 434749277 /nfs/dbraw/zinc/74/92/77/434749277.db2.gz ZHWJDYVUQZYFCN-INIZCTEOSA-N 2 1 307.507 3.274 20 0 DGADMP c1ncc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000411232084 434749282 /nfs/dbraw/zinc/74/92/82/434749282.db2.gz ZHWJDYVUQZYFCN-INIZCTEOSA-N 2 1 307.507 3.274 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)O ZINC000411285162 434753918 /nfs/dbraw/zinc/75/39/18/434753918.db2.gz UCQLADLZAYRULK-UHFFFAOYSA-N 2 1 304.478 3.265 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459773657 434712371 /nfs/dbraw/zinc/71/23/71/434712371.db2.gz ISZUCZJRDJUGJV-HZPDHXFCSA-N 2 1 314.477 3.206 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000424374541 434713068 /nfs/dbraw/zinc/71/30/68/434713068.db2.gz LJXAZRDTBVYJHL-OUAUKWLOSA-N 2 1 315.280 3.357 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCC3CC3)cc1)CC[NH2+]CC2 ZINC000424378780 434714875 /nfs/dbraw/zinc/71/48/75/434714875.db2.gz NRVWDLXHXAAZSP-INIZCTEOSA-N 2 1 314.473 3.439 20 0 DGADMP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000354333461 434727338 /nfs/dbraw/zinc/72/73/38/434727338.db2.gz YYPUDLDQHQBTDZ-RTBURBONSA-N 2 1 304.478 3.433 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000354346301 434729020 /nfs/dbraw/zinc/72/90/20/434729020.db2.gz HDBAKJXLXUXNTM-LPHOPBHVSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000354346301 434729027 /nfs/dbraw/zinc/72/90/27/434729027.db2.gz HDBAKJXLXUXNTM-LPHOPBHVSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1C(C)(C)C1(C)C ZINC000354347057 434729254 /nfs/dbraw/zinc/72/92/54/434729254.db2.gz JFGQGFFMARQFPQ-OAHLLOKOSA-N 2 1 308.510 3.292 20 0 DGADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000442878475 434774126 /nfs/dbraw/zinc/77/41/26/434774126.db2.gz UECYRGNHIDEKTK-GOSISDBHSA-N 2 1 309.542 3.351 20 0 DGADMP C[C@@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411427454 434779659 /nfs/dbraw/zinc/77/96/59/434779659.db2.gz OVRUYPFUEDRDBM-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453059066 434786118 /nfs/dbraw/zinc/78/61/18/434786118.db2.gz PUYOFBRJCDEABG-QRVBRYPASA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453057828 434786223 /nfs/dbraw/zinc/78/62/23/434786223.db2.gz NQBQKPDMILGTDQ-MUGJNUQGSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000153789707 297284486 /nfs/dbraw/zinc/28/44/86/297284486.db2.gz CHUQCWGMSPZSEZ-XGXHKWSGSA-N 2 1 302.462 3.227 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453069292 434790451 /nfs/dbraw/zinc/79/04/51/434790451.db2.gz LVLJXIBBXOSRJP-AFYVEPGGSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccncc1 ZINC000453113362 434804550 /nfs/dbraw/zinc/80/45/50/434804550.db2.gz DKDKDOHVFLSCCF-GOSISDBHSA-N 2 1 310.445 3.495 20 0 DGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453128307 434809738 /nfs/dbraw/zinc/80/97/38/434809738.db2.gz SHVLKIFAJAIQEZ-UAFMIMERSA-N 2 1 316.489 3.036 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453141879 434812772 /nfs/dbraw/zinc/81/27/72/434812772.db2.gz OQZXOUQMOAYWJL-OTWHNJEPSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000453178228 434823683 /nfs/dbraw/zinc/82/36/83/434823683.db2.gz SIPOGBQEWRAMFD-JENIJYKNSA-N 2 1 324.472 3.428 20 0 DGADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000453194263 434825949 /nfs/dbraw/zinc/82/59/49/434825949.db2.gz HHTFIFCESXDEAX-WOJBJXKFSA-N 2 1 316.489 3.312 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000411765057 434826403 /nfs/dbraw/zinc/82/64/03/434826403.db2.gz IOOWTGAYEWAEMW-HXUWFJFHSA-N 2 1 314.473 3.427 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnoc2C)CC1)CC1CC1 ZINC000445814063 434827600 /nfs/dbraw/zinc/82/76/00/434827600.db2.gz QNEIGDVFQMONBA-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411986608 434850552 /nfs/dbraw/zinc/85/05/52/434850552.db2.gz RPABKVFMYVJMGO-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411986608 434850555 /nfs/dbraw/zinc/85/05/55/434850555.db2.gz RPABKVFMYVJMGO-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411986608 434850558 /nfs/dbraw/zinc/85/05/58/434850558.db2.gz RPABKVFMYVJMGO-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)nc2c1 ZINC000573299527 434889158 /nfs/dbraw/zinc/88/91/58/434889158.db2.gz VXAASVVSXPSXGP-HNNXBMFYSA-N 2 1 315.486 3.475 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000521063151 434868939 /nfs/dbraw/zinc/86/89/39/434868939.db2.gz KVWDKBWVKYXHJR-GXTWGEPZSA-N 2 1 316.367 3.286 20 0 DGADMP CO[C@@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000638067776 434944322 /nfs/dbraw/zinc/94/43/22/434944322.db2.gz UUJYNWNBSUKKQM-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@](C)(C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067776 434944327 /nfs/dbraw/zinc/94/43/27/434944327.db2.gz UUJYNWNBSUKKQM-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067776 434944328 /nfs/dbraw/zinc/94/43/28/434944328.db2.gz UUJYNWNBSUKKQM-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000554817688 434947838 /nfs/dbraw/zinc/94/78/38/434947838.db2.gz RJSWBXKDMLEMPK-NZSAHSFTSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000554817688 434947842 /nfs/dbraw/zinc/94/78/42/434947842.db2.gz RJSWBXKDMLEMPK-NZSAHSFTSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000554817688 434947846 /nfs/dbraw/zinc/94/78/46/434947846.db2.gz RJSWBXKDMLEMPK-NZSAHSFTSA-N 2 1 318.505 3.427 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000555092603 434960185 /nfs/dbraw/zinc/96/01/85/434960185.db2.gz KJVCKYNIIDTKLJ-KRWDZBQOSA-N 2 1 300.490 3.359 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638376030 435017307 /nfs/dbraw/zinc/01/73/07/435017307.db2.gz GSBJYCNCYNDVQT-STQMWFEESA-N 2 1 314.260 3.292 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638376030 435017310 /nfs/dbraw/zinc/01/73/10/435017310.db2.gz GSBJYCNCYNDVQT-STQMWFEESA-N 2 1 314.260 3.292 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000638376450 435017853 /nfs/dbraw/zinc/01/78/53/435017853.db2.gz KQMLKQGOECYAKL-GUDVDZBRSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000638384938 435018524 /nfs/dbraw/zinc/01/85/24/435018524.db2.gz FNSHYFPDMSQFPV-GOSISDBHSA-N 2 1 301.434 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638385690 435019977 /nfs/dbraw/zinc/01/99/77/435019977.db2.gz IXBNEXMVAOPLKY-UHFFFAOYSA-N 2 1 316.355 3.198 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](OC(C)C)c2ccccc2)C1 ZINC000638409677 435025925 /nfs/dbraw/zinc/02/59/25/435025925.db2.gz OIPBAVUITGHQNL-HKUYNNGSSA-N 2 1 304.478 3.474 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638446811 435032378 /nfs/dbraw/zinc/03/23/78/435032378.db2.gz SEVMXZJEACCYNR-SZVBFZGTSA-N 2 1 302.462 3.227 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638446811 435032382 /nfs/dbraw/zinc/03/23/82/435032382.db2.gz SEVMXZJEACCYNR-SZVBFZGTSA-N 2 1 302.462 3.227 20 0 DGADMP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638447219 435032590 /nfs/dbraw/zinc/03/25/90/435032590.db2.gz HREDNYWJGNPRFY-HOTGVXAUSA-N 2 1 310.507 3.365 20 0 DGADMP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638447219 435032593 /nfs/dbraw/zinc/03/25/93/435032593.db2.gz HREDNYWJGNPRFY-HOTGVXAUSA-N 2 1 310.507 3.365 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000556093498 434996025 /nfs/dbraw/zinc/99/60/25/434996025.db2.gz KFJTVUNPPDXVRQ-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556093498 434996029 /nfs/dbraw/zinc/99/60/29/434996029.db2.gz KFJTVUNPPDXVRQ-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556093498 434996034 /nfs/dbraw/zinc/99/60/34/434996034.db2.gz KFJTVUNPPDXVRQ-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP c1cn(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638284638 434996405 /nfs/dbraw/zinc/99/64/05/434996405.db2.gz BTWCIFUGMVZVKT-QUCCMNQESA-N 2 1 324.472 3.231 20 0 DGADMP c1cn(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638284638 434996410 /nfs/dbraw/zinc/99/64/10/434996410.db2.gz BTWCIFUGMVZVKT-QUCCMNQESA-N 2 1 324.472 3.231 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1Cl ZINC000638289893 434997147 /nfs/dbraw/zinc/99/71/47/434997147.db2.gz BSHXEOXCEKZXJO-CYBMUJFWSA-N 2 1 310.869 3.226 20 0 DGADMP C[NH+](C)C(C)(C)CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638291268 434998266 /nfs/dbraw/zinc/99/82/66/434998266.db2.gz NPKYICJSOHONDK-HKUYNNGSSA-N 2 1 315.505 3.284 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cc(C)ccc2C)C1 ZINC000464770713 434999733 /nfs/dbraw/zinc/99/97/33/434999733.db2.gz CVRHXSXIFLFOJI-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cc(C)ccc2C)C1 ZINC000464770713 434999737 /nfs/dbraw/zinc/99/97/37/434999737.db2.gz CVRHXSXIFLFOJI-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638316802 435003046 /nfs/dbraw/zinc/00/30/46/435003046.db2.gz MABWGUWTYZEGFV-MJGOQNOKSA-N 2 1 302.462 3.371 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638316802 435003048 /nfs/dbraw/zinc/00/30/48/435003048.db2.gz MABWGUWTYZEGFV-MJGOQNOKSA-N 2 1 302.462 3.371 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638328770 435007019 /nfs/dbraw/zinc/00/70/19/435007019.db2.gz KQEHSPJYBZXIAD-WDSOQIARSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638328770 435007024 /nfs/dbraw/zinc/00/70/24/435007024.db2.gz KQEHSPJYBZXIAD-WDSOQIARSA-N 2 1 302.462 3.105 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000638359726 435012557 /nfs/dbraw/zinc/01/25/57/435012557.db2.gz MLFILTFUICPWHB-FVELJTHGSA-N 2 1 321.553 3.209 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000530902524 435058926 /nfs/dbraw/zinc/05/89/26/435058926.db2.gz RMRNFJUPRDMOOG-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000530902524 435058930 /nfs/dbraw/zinc/05/89/30/435058930.db2.gz RMRNFJUPRDMOOG-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000530902524 435058934 /nfs/dbraw/zinc/05/89/34/435058934.db2.gz RMRNFJUPRDMOOG-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CCc1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000530901772 435059033 /nfs/dbraw/zinc/05/90/33/435059033.db2.gz XXWVLUBYICVTIB-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000530901772 435059037 /nfs/dbraw/zinc/05/90/37/435059037.db2.gz XXWVLUBYICVTIB-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000530901772 435059039 /nfs/dbraw/zinc/05/90/39/435059039.db2.gz XXWVLUBYICVTIB-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638672704 435066721 /nfs/dbraw/zinc/06/67/21/435066721.db2.gz HXSSLSYTOZMOCG-AOIWGVFYSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638672704 435066724 /nfs/dbraw/zinc/06/67/24/435066724.db2.gz HXSSLSYTOZMOCG-AOIWGVFYSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000638676699 435067411 /nfs/dbraw/zinc/06/74/11/435067411.db2.gz PZFDVKYDSRNRAH-LPHOPBHVSA-N 2 1 310.445 3.176 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n[nH]1 ZINC000638676699 435067416 /nfs/dbraw/zinc/06/74/16/435067416.db2.gz PZFDVKYDSRNRAH-LPHOPBHVSA-N 2 1 310.445 3.176 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(OC)c2)C[C@@H]1C ZINC000531140230 435074684 /nfs/dbraw/zinc/07/46/84/435074684.db2.gz KNIVKIOMPQXGPL-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(OC)c2)C[C@@H]1C ZINC000531140230 435074688 /nfs/dbraw/zinc/07/46/88/435074688.db2.gz KNIVKIOMPQXGPL-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cccc(OC)c2)C[C@@H]1C ZINC000531140230 435074692 /nfs/dbraw/zinc/07/46/92/435074692.db2.gz KNIVKIOMPQXGPL-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000558165914 435078408 /nfs/dbraw/zinc/07/84/08/435078408.db2.gz PIYRLRRCLRNBBX-KRWDZBQOSA-N 2 1 303.494 3.365 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000558165914 435078412 /nfs/dbraw/zinc/07/84/12/435078412.db2.gz PIYRLRRCLRNBBX-KRWDZBQOSA-N 2 1 303.494 3.365 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000638769014 435086568 /nfs/dbraw/zinc/08/65/68/435086568.db2.gz JWTZDVSFLYOMCR-STJZUHDESA-N 2 1 321.428 3.432 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638448590 435034278 /nfs/dbraw/zinc/03/42/78/435034278.db2.gz VCJHPFBBRWUMQE-NVXWUHKLSA-N 2 1 310.507 3.365 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638448590 435034282 /nfs/dbraw/zinc/03/42/82/435034282.db2.gz VCJHPFBBRWUMQE-NVXWUHKLSA-N 2 1 310.507 3.365 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638587653 435054252 /nfs/dbraw/zinc/05/42/52/435054252.db2.gz GYEMTOMAZZYHCW-IHPCNDPISA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638587653 435054255 /nfs/dbraw/zinc/05/42/55/435054255.db2.gz GYEMTOMAZZYHCW-IHPCNDPISA-N 2 1 316.489 3.495 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000530866569 435055431 /nfs/dbraw/zinc/05/54/31/435055431.db2.gz FZJNNCBRTNHFGN-UFUQCMIWSA-N 2 1 302.462 3.133 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]CCC[C@@H]2CCO2)C[N@H+]1Cc1ccccc1 ZINC000638795341 435090409 /nfs/dbraw/zinc/09/04/09/435090409.db2.gz BRTPPJWRFIIAGL-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811451 435093851 /nfs/dbraw/zinc/09/38/51/435093851.db2.gz AKATZBOVVMHRPM-FXAWDEMLSA-N 2 1 322.456 3.243 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811451 435093854 /nfs/dbraw/zinc/09/38/54/435093854.db2.gz AKATZBOVVMHRPM-FXAWDEMLSA-N 2 1 322.456 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(CO)cc1 ZINC000638854841 435105792 /nfs/dbraw/zinc/10/57/92/435105792.db2.gz UYDAJZDZBPCAPJ-UHFFFAOYSA-N 2 1 312.457 3.309 20 0 DGADMP COc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000638854811 435106481 /nfs/dbraw/zinc/10/64/81/435106481.db2.gz UGBGVWZDGZLPJP-UHFFFAOYSA-N 2 1 319.474 3.282 20 0 DGADMP CCCCO[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762097 435108459 /nfs/dbraw/zinc/10/84/59/435108459.db2.gz ZDLJATASPHPJGL-IRXDYDNUSA-N 2 1 307.482 3.268 20 0 DGADMP CCCCO[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762097 435108461 /nfs/dbraw/zinc/10/84/61/435108461.db2.gz ZDLJATASPHPJGL-IRXDYDNUSA-N 2 1 307.482 3.268 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)C ZINC000531677569 435108707 /nfs/dbraw/zinc/10/87/07/435108707.db2.gz IELHRACLVQZYCK-HZPDHXFCSA-N 2 1 309.523 3.061 20 0 DGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@]2(C)CCCc3ccccc32)CC1 ZINC000638922227 435118595 /nfs/dbraw/zinc/11/85/95/435118595.db2.gz AHHFCDRHPUMNQZ-HXUWFJFHSA-N 2 1 316.489 3.063 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000467401395 435120248 /nfs/dbraw/zinc/12/02/48/435120248.db2.gz ZFOBZRVZQNYASM-IUODEOHRSA-N 2 1 300.368 3.444 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)C1CCCCC1 ZINC000559145242 435123250 /nfs/dbraw/zinc/12/32/50/435123250.db2.gz GGMRXAAVKJZTTP-QWFCFKBJSA-N 2 1 321.553 3.161 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000578997511 435125746 /nfs/dbraw/zinc/12/57/46/435125746.db2.gz HAEGMMSESHBSMC-NSHGMRRFSA-N 2 1 318.505 3.109 20 0 DGADMP CCc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000531976950 435130500 /nfs/dbraw/zinc/13/05/00/435130500.db2.gz WPRMEFWUNRMCFZ-AWEZNQCLSA-N 2 1 317.433 3.028 20 0 DGADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976495 435130724 /nfs/dbraw/zinc/13/07/24/435130724.db2.gz PYZGMHIMZVIMAY-ICSRJNTNSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976495 435130727 /nfs/dbraw/zinc/13/07/27/435130727.db2.gz PYZGMHIMZVIMAY-ICSRJNTNSA-N 2 1 316.489 3.182 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000559505831 435133047 /nfs/dbraw/zinc/13/30/47/435133047.db2.gz MKAWVHZDTRIYKG-HNNXBMFYSA-N 2 1 324.415 3.452 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(NC(C)=O)c1 ZINC000639174069 435183965 /nfs/dbraw/zinc/18/39/65/435183965.db2.gz NWGCRTLWOYSVLM-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(NC(C)=O)c1 ZINC000639174069 435183966 /nfs/dbraw/zinc/18/39/66/435183966.db2.gz NWGCRTLWOYSVLM-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639184320 435190192 /nfs/dbraw/zinc/19/01/92/435190192.db2.gz BVYJSHODBQDENO-BJLQDIEVSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639184320 435190196 /nfs/dbraw/zinc/19/01/96/435190196.db2.gz BVYJSHODBQDENO-BJLQDIEVSA-N 2 1 316.489 3.209 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639192493 435194377 /nfs/dbraw/zinc/19/43/77/435194377.db2.gz BPUAUVIOCMPOPT-IIHSZXCVSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639192493 435194381 /nfs/dbraw/zinc/19/43/81/435194381.db2.gz BPUAUVIOCMPOPT-IIHSZXCVSA-N 2 1 302.462 3.368 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579974436 435197293 /nfs/dbraw/zinc/19/72/93/435197293.db2.gz GAWYYIFEXBAYSH-HOCLYGCPSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579974436 435197296 /nfs/dbraw/zinc/19/72/96/435197296.db2.gz GAWYYIFEXBAYSH-HOCLYGCPSA-N 2 1 306.450 3.186 20 0 DGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000474730350 435158638 /nfs/dbraw/zinc/15/86/38/435158638.db2.gz PFDLNAMNZLWTOV-GBESFXJTSA-N 2 1 310.526 3.418 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639111590 435159097 /nfs/dbraw/zinc/15/90/97/435159097.db2.gz BGMTZYWBYMQMTF-KVSKMBFKSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639111590 435159100 /nfs/dbraw/zinc/15/91/00/435159100.db2.gz BGMTZYWBYMQMTF-KVSKMBFKSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801818 435161561 /nfs/dbraw/zinc/16/15/61/435161561.db2.gz ZMKCXBPDRWOHPC-FXAWDEMLSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801818 435161567 /nfs/dbraw/zinc/16/15/67/435161567.db2.gz ZMKCXBPDRWOHPC-FXAWDEMLSA-N 2 1 316.489 3.182 20 0 DGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCC2(C)C)c2cccs2)CC1 ZINC000532441635 435166294 /nfs/dbraw/zinc/16/62/94/435166294.db2.gz CGVOCRVXHUDAHG-DOTOQJQBSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532516949 435173279 /nfs/dbraw/zinc/17/32/79/435173279.db2.gz VHPFCCWBOMJVJQ-QUCCMNQESA-N 2 1 316.489 3.348 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532516949 435173283 /nfs/dbraw/zinc/17/32/83/435173283.db2.gz VHPFCCWBOMJVJQ-QUCCMNQESA-N 2 1 316.489 3.348 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000639155053 435176222 /nfs/dbraw/zinc/17/62/22/435176222.db2.gz LUMVXPZIZMYHDE-MISYRCLQSA-N 2 1 316.489 3.474 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000639169918 435180903 /nfs/dbraw/zinc/18/09/03/435180903.db2.gz MWKFTOQUPDWWGF-YOEHRIQHSA-N 2 1 318.461 3.011 20 0 DGADMP CC(C)O[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000639170324 435181184 /nfs/dbraw/zinc/18/11/84/435181184.db2.gz SXDKPCZHTAPYLH-IEBWSBKVSA-N 2 1 304.478 3.473 20 0 DGADMP CC(C)O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000639170325 435181350 /nfs/dbraw/zinc/18/13/50/435181350.db2.gz SXDKPCZHTAPYLH-MJGOQNOKSA-N 2 1 304.478 3.473 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000639287891 435227122 /nfs/dbraw/zinc/22/71/22/435227122.db2.gz OOKPOZDBHPQNPJ-WMEZAQDKSA-N 2 1 300.446 3.122 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000639287891 435227126 /nfs/dbraw/zinc/22/71/26/435227126.db2.gz OOKPOZDBHPQNPJ-WMEZAQDKSA-N 2 1 300.446 3.122 20 0 DGADMP Cc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)nc(C(C)C)n1 ZINC000561426003 435216900 /nfs/dbraw/zinc/21/69/00/435216900.db2.gz OYMZSUCRRHDQSJ-GOSISDBHSA-N 2 1 324.472 3.272 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)c2ccccc21 ZINC000580301831 435220122 /nfs/dbraw/zinc/22/01/22/435220122.db2.gz QSFZYHLBLXGEQL-PMACEKPBSA-N 2 1 318.424 3.166 20 0 DGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639273634 435224115 /nfs/dbraw/zinc/22/41/15/435224115.db2.gz XNQWCWGSGMMJKC-MJGOQNOKSA-N 2 1 313.489 3.038 20 0 DGADMP Cc1cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)sn1 ZINC000639242764 435211357 /nfs/dbraw/zinc/21/13/57/435211357.db2.gz SEGRCVQGVGMIGK-UHFFFAOYSA-N 2 1 321.412 3.300 20 0 DGADMP Cc1cc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)sn1 ZINC000639242764 435211359 /nfs/dbraw/zinc/21/13/59/435211359.db2.gz SEGRCVQGVGMIGK-UHFFFAOYSA-N 2 1 321.412 3.300 20 0 DGADMP OCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000562046519 435247376 /nfs/dbraw/zinc/24/73/76/435247376.db2.gz XKWZHIIFFAMABU-SFHVURJKSA-N 2 1 322.880 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924400 435255719 /nfs/dbraw/zinc/25/57/19/435255719.db2.gz TYMSAEXAGYKWDB-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924400 435255725 /nfs/dbraw/zinc/25/57/25/435255725.db2.gz TYMSAEXAGYKWDB-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924400 435255729 /nfs/dbraw/zinc/25/57/29/435255729.db2.gz TYMSAEXAGYKWDB-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924400 435255735 /nfs/dbraw/zinc/25/57/35/435255735.db2.gz TYMSAEXAGYKWDB-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000583924400 435255741 /nfs/dbraw/zinc/25/57/41/435255741.db2.gz TYMSAEXAGYKWDB-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639357085 435259903 /nfs/dbraw/zinc/25/99/03/435259903.db2.gz NDXWVSYNLQEMNH-PBWTXFEYSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639357085 435259907 /nfs/dbraw/zinc/25/99/07/435259907.db2.gz NDXWVSYNLQEMNH-PBWTXFEYSA-N 2 1 300.446 3.122 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCc3sccc3C2)cc1 ZINC000643057852 435264488 /nfs/dbraw/zinc/26/44/88/435264488.db2.gz MGQNZYCSKYUIAQ-INIZCTEOSA-N 2 1 316.470 3.247 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)[C@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396867 435286114 /nfs/dbraw/zinc/28/61/14/435286114.db2.gz KRTGYWCCMCEEKX-RBUKOAKNSA-N 2 1 302.462 3.179 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)[C@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396867 435286119 /nfs/dbraw/zinc/28/61/19/435286119.db2.gz KRTGYWCCMCEEKX-RBUKOAKNSA-N 2 1 302.462 3.179 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2cc(N)ccc2O1 ZINC000584345379 435290306 /nfs/dbraw/zinc/29/03/06/435290306.db2.gz SQMKFZWBTCZEBJ-JYJNAYRXSA-N 2 1 303.450 3.121 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000639359690 435262960 /nfs/dbraw/zinc/26/29/60/435262960.db2.gz PGCDWAVDGPPRNW-JHNDHUHGSA-N 2 1 308.416 3.388 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccns1 ZINC000639359205 435263049 /nfs/dbraw/zinc/26/30/49/435263049.db2.gz JDRINXIAOZBQNK-GOEBONIOSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccns1 ZINC000639359205 435263052 /nfs/dbraw/zinc/26/30/52/435263052.db2.gz JDRINXIAOZBQNK-GOEBONIOSA-N 2 1 301.459 3.001 20 0 DGADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(-c2ccncc2)c1 ZINC000567871535 435364575 /nfs/dbraw/zinc/36/45/75/435364575.db2.gz OXAZAHYSQPFFBD-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CCOC3)C[C@@H]1C ZINC000639509452 435324335 /nfs/dbraw/zinc/32/43/35/435324335.db2.gz CBMNWJQJOQLHHA-YJBOKZPZSA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2CCOC3)C[C@@H]1C ZINC000639509452 435324340 /nfs/dbraw/zinc/32/43/40/435324340.db2.gz CBMNWJQJOQLHHA-YJBOKZPZSA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2CCOC3)C[C@@H]1C ZINC000639509452 435324343 /nfs/dbraw/zinc/32/43/43/435324343.db2.gz CBMNWJQJOQLHHA-YJBOKZPZSA-N 2 1 302.462 3.064 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000535316850 435327074 /nfs/dbraw/zinc/32/70/74/435327074.db2.gz ZXFBTHQXQGUTSY-HNNXBMFYSA-N 2 1 308.385 3.065 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000643461182 435329905 /nfs/dbraw/zinc/32/99/05/435329905.db2.gz MRUIJIYQOZJFFI-XOKHGSTOSA-N 2 1 305.466 3.200 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643457512 435330679 /nfs/dbraw/zinc/33/06/79/435330679.db2.gz HKYXVCPMKUNVJP-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccn21 ZINC000567594999 435332896 /nfs/dbraw/zinc/33/28/96/435332896.db2.gz OOMFGPBGXLGPFQ-NVXWUHKLSA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c2ccccn21 ZINC000567594999 435332903 /nfs/dbraw/zinc/33/29/03/435332903.db2.gz OOMFGPBGXLGPFQ-NVXWUHKLSA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccn21 ZINC000567595000 435333674 /nfs/dbraw/zinc/33/36/74/435333674.db2.gz OOMFGPBGXLGPFQ-RDJZCZTQSA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccn21 ZINC000567595000 435333679 /nfs/dbraw/zinc/33/36/79/435333679.db2.gz OOMFGPBGXLGPFQ-RDJZCZTQSA-N 2 1 314.477 3.230 20 0 DGADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000643474506 435334500 /nfs/dbraw/zinc/33/45/00/435334500.db2.gz YGKSYUJXQMWAPD-RCOXNQKVSA-N 2 1 324.468 3.234 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CC[C@H](C)O3)C2)s1 ZINC000567617465 435335007 /nfs/dbraw/zinc/33/50/07/435335007.db2.gz KTCBTUCOGMJOOK-USXIJHARSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CC[C@H](C)O3)C2)s1 ZINC000567617465 435335011 /nfs/dbraw/zinc/33/50/11/435335011.db2.gz KTCBTUCOGMJOOK-USXIJHARSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CC[C@H](C)O3)C2)s1 ZINC000567617465 435335015 /nfs/dbraw/zinc/33/50/15/435335015.db2.gz KTCBTUCOGMJOOK-USXIJHARSA-N 2 1 322.518 3.378 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000643529045 435344813 /nfs/dbraw/zinc/34/48/13/435344813.db2.gz UAPATACZLOIWAX-GWCFXTLKSA-N 2 1 305.422 3.263 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2cc(Cl)cnc2o1 ZINC000648566510 435345199 /nfs/dbraw/zinc/34/51/99/435345199.db2.gz PJMMJBAWWWCCTJ-UHFFFAOYSA-N 2 1 307.825 3.399 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2cc(Cl)cnc2o1 ZINC000648566510 435345207 /nfs/dbraw/zinc/34/52/07/435345207.db2.gz PJMMJBAWWWCCTJ-UHFFFAOYSA-N 2 1 307.825 3.399 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548897 435351655 /nfs/dbraw/zinc/35/16/55/435351655.db2.gz XBUJLUZXBOTWSH-HOCLYGCPSA-N 2 1 304.409 3.304 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587604 435352848 /nfs/dbraw/zinc/35/28/48/435352848.db2.gz SDEGNHMRCNXMSZ-IAQYHMDHSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587604 435352851 /nfs/dbraw/zinc/35/28/51/435352851.db2.gz SDEGNHMRCNXMSZ-IAQYHMDHSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587604 435352857 /nfs/dbraw/zinc/35/28/57/435352857.db2.gz SDEGNHMRCNXMSZ-IAQYHMDHSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587604 435352864 /nfs/dbraw/zinc/35/28/64/435352864.db2.gz SDEGNHMRCNXMSZ-IAQYHMDHSA-N 2 1 307.825 3.253 20 0 DGADMP CC(C)(C[NH2+]Cc1cccc(OC(F)F)c1)C[NH+]1CCCC1 ZINC000480921198 435400687 /nfs/dbraw/zinc/40/06/87/435400687.db2.gz OXGDCDCOFPMYOI-UHFFFAOYSA-N 2 1 312.404 3.500 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000536696372 435405452 /nfs/dbraw/zinc/40/54/52/435405452.db2.gz VHBAJJBIIUIGPJ-SFHVURJKSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000536696372 435405457 /nfs/dbraw/zinc/40/54/57/435405457.db2.gz VHBAJJBIIUIGPJ-SFHVURJKSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756452 435408511 /nfs/dbraw/zinc/40/85/11/435408511.db2.gz VIUJTWWKFGNBOJ-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC000639756786 435408649 /nfs/dbraw/zinc/40/86/49/435408649.db2.gz CRGJFZUCALOBFC-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)CC1 ZINC000639759837 435408870 /nfs/dbraw/zinc/40/88/70/435408870.db2.gz LALFZXVBKJPTLQ-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc4ccccc4s3)C2)CC1 ZINC000639755451 435410425 /nfs/dbraw/zinc/41/04/25/435410425.db2.gz LPGLRSXYHUZLLZ-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccncc2)cs1 ZINC000568294849 435420861 /nfs/dbraw/zinc/42/08/61/435420861.db2.gz FVZOPKGVSRVDKI-YUTCNCBUSA-N 2 1 302.447 3.126 20 0 DGADMP c1cnc2nc([C@@H]3CC[N@H+](CCC[NH+]4CCCCC4)C3)ccc2c1 ZINC000639791842 435420973 /nfs/dbraw/zinc/42/09/73/435420973.db2.gz MHIRLJDLHSCVSS-GOSISDBHSA-N 2 1 324.472 3.295 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(CO)o2)CC1)CC1CC1 ZINC000536142158 435372482 /nfs/dbraw/zinc/37/24/82/435372482.db2.gz SRTAXHYPVOEDLM-UHFFFAOYSA-N 2 1 320.477 3.106 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000639630248 435373587 /nfs/dbraw/zinc/37/35/87/435373587.db2.gz UGCNMPFAFYPYSL-UHOSZYNNSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000639630248 435373594 /nfs/dbraw/zinc/37/35/94/435373594.db2.gz UGCNMPFAFYPYSL-UHOSZYNNSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000513116538 435377976 /nfs/dbraw/zinc/37/79/76/435377976.db2.gz HEDIEXXQGLDUGE-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000513116538 435377981 /nfs/dbraw/zinc/37/79/81/435377981.db2.gz HEDIEXXQGLDUGE-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000513116538 435377987 /nfs/dbraw/zinc/37/79/87/435377987.db2.gz HEDIEXXQGLDUGE-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000513116538 435377990 /nfs/dbraw/zinc/37/79/90/435377990.db2.gz HEDIEXXQGLDUGE-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513239067 435382104 /nfs/dbraw/zinc/38/21/04/435382104.db2.gz UBNJFOOVCBNFOG-NSISKUIASA-N 2 1 318.505 3.426 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513239067 435382110 /nfs/dbraw/zinc/38/21/10/435382110.db2.gz UBNJFOOVCBNFOG-NSISKUIASA-N 2 1 318.505 3.426 20 0 DGADMP CC[N@H+](CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1)C(C)C ZINC000513354505 435384851 /nfs/dbraw/zinc/38/48/51/435384851.db2.gz UMFALIZTTPBRJL-LJQANCHMSA-N 2 1 304.478 3.336 20 0 DGADMP CC[N@@H+](CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1)C(C)C ZINC000513354505 435384855 /nfs/dbraw/zinc/38/48/55/435384855.db2.gz UMFALIZTTPBRJL-LJQANCHMSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@@H](C)S1 ZINC000536542481 435388142 /nfs/dbraw/zinc/38/81/42/435388142.db2.gz NJBTVAICHBOOCP-TUVASFSCSA-N 2 1 302.553 3.028 20 0 DGADMP C[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@@H](C)S1 ZINC000536542481 435388145 /nfs/dbraw/zinc/38/81/45/435388145.db2.gz NJBTVAICHBOOCP-TUVASFSCSA-N 2 1 302.553 3.028 20 0 DGADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCOc3ccccc31)CC[NH2+]CC2 ZINC000643973785 435388074 /nfs/dbraw/zinc/38/80/74/435388074.db2.gz QCYVEBZRMZIEFB-JKSUJKDBSA-N 2 1 300.446 3.017 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513487327 435391883 /nfs/dbraw/zinc/39/18/83/435391883.db2.gz BIIPJVHFYCKUMU-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000536652486 435399613 /nfs/dbraw/zinc/39/96/13/435399613.db2.gz SMYBJJPVVXTFQY-UHFFFAOYSA-N 2 1 306.498 3.190 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc3c(c(Cl)c1)OCO3)CC[NH2+]CC2 ZINC000515053732 435457968 /nfs/dbraw/zinc/45/79/68/435457968.db2.gz QGGCFDDSHWOQEY-LBPRGKRZSA-N 2 1 322.836 3.033 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000515311079 435474607 /nfs/dbraw/zinc/47/46/07/435474607.db2.gz BAGBLLCOYBEYFW-HNNXBMFYSA-N 2 1 312.461 3.476 20 0 DGADMP CCOC[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537941076 435474851 /nfs/dbraw/zinc/47/48/51/435474851.db2.gz HALROJXATKHUNX-YQVWRLOYSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000482686998 435479263 /nfs/dbraw/zinc/47/92/63/435479263.db2.gz XEZATWSHCUAURB-RBUKOAKNSA-N 2 1 310.526 3.227 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000639983955 435479905 /nfs/dbraw/zinc/47/99/05/435479905.db2.gz PGGAWGFNJHCCKV-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP CCCCCn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000537096357 435426441 /nfs/dbraw/zinc/42/64/41/435426441.db2.gz QNBPIEXCFLWUGB-UHFFFAOYSA-N 2 1 318.509 3.346 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000568445314 435435232 /nfs/dbraw/zinc/43/52/32/435435232.db2.gz QTABKGWVOPFSSW-SXLOBPIMSA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000568445314 435435240 /nfs/dbraw/zinc/43/52/40/435435240.db2.gz QTABKGWVOPFSSW-SXLOBPIMSA-N 2 1 318.505 3.141 20 0 DGADMP CCC[C@H](CC)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000537295568 435438315 /nfs/dbraw/zinc/43/83/15/435438315.db2.gz OGONILARGUDTKG-HOTGVXAUSA-N 2 1 309.523 3.205 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000569291534 435520976 /nfs/dbraw/zinc/52/09/76/435520976.db2.gz HHBYRVYZGGPOLS-HKUYNNGSSA-N 2 1 322.468 3.093 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000539045594 435535422 /nfs/dbraw/zinc/53/54/22/435535422.db2.gz BPBNYHRARRAGEM-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568901074 435482511 /nfs/dbraw/zinc/48/25/11/435482511.db2.gz LNONUTCCJBHSFJ-LSTHTHJFSA-N 3 1 315.505 3.421 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000482891042 435485740 /nfs/dbraw/zinc/48/57/40/435485740.db2.gz OCKIQWAOBAWQKA-MKXGPGLRSA-N 2 1 310.526 3.274 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000640015700 435490157 /nfs/dbraw/zinc/49/01/57/435490157.db2.gz LMIOVSFGYJIUKS-QGZVFWFLSA-N 2 1 324.896 3.050 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085606 435493618 /nfs/dbraw/zinc/49/36/18/435493618.db2.gz GUAZVRNVDXSDTG-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085606 435493619 /nfs/dbraw/zinc/49/36/19/435493619.db2.gz GUAZVRNVDXSDTG-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085606 435493621 /nfs/dbraw/zinc/49/36/21/435493621.db2.gz GUAZVRNVDXSDTG-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085606 435493622 /nfs/dbraw/zinc/49/36/22/435493622.db2.gz GUAZVRNVDXSDTG-KXBFYZLASA-N 2 1 302.437 3.477 20 0 DGADMP c1ccc(CCCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484794719 435554551 /nfs/dbraw/zinc/55/45/51/435554551.db2.gz SGQZMIDHPSBNKZ-XUVXKRRUSA-N 2 1 316.489 3.146 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724155 435556616 /nfs/dbraw/zinc/55/66/16/435556616.db2.gz ZMLXFPMVTGMESM-UTKZUKDTSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724155 435556621 /nfs/dbraw/zinc/55/66/21/435556621.db2.gz ZMLXFPMVTGMESM-UTKZUKDTSA-N 2 1 323.484 3.146 20 0 DGADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539508460 435557135 /nfs/dbraw/zinc/55/71/35/435557135.db2.gz AJPFDIBOGWFRGV-KUHUBIRLSA-N 2 1 320.452 3.366 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCSC4)C[C@@H]3C2)cc1 ZINC000517022878 435569068 /nfs/dbraw/zinc/56/90/68/435569068.db2.gz HNRSQRCYPJCPSJ-QRVBRYPASA-N 2 1 316.514 3.193 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)s1 ZINC000539851292 435577281 /nfs/dbraw/zinc/57/72/81/435577281.db2.gz XPWOGRBLUVWTMD-OAHLLOKOSA-N 2 1 310.507 3.243 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000539076895 435537143 /nfs/dbraw/zinc/53/71/43/435537143.db2.gz CNMFQDBJZKIHMF-LSDHHAIUSA-N 2 1 301.434 3.495 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000539083939 435538334 /nfs/dbraw/zinc/53/83/34/435538334.db2.gz BQBSMEGAPQGADZ-AHRSYUTCSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000539220425 435543097 /nfs/dbraw/zinc/54/30/97/435543097.db2.gz BLYSLCNSSHMSQC-MSOLQXFVSA-N 2 1 309.542 3.161 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC(C)C ZINC000540197841 435593318 /nfs/dbraw/zinc/59/33/18/435593318.db2.gz SGICGWZIUOBHPG-OALUTQOASA-N 2 1 310.526 3.370 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3ccccc3n2C)C1 ZINC000540284885 435596092 /nfs/dbraw/zinc/59/60/92/435596092.db2.gz KSLGHQUOHJTDOH-RDJZCZTQSA-N 2 1 320.440 3.243 20 0 DGADMP COc1cc(C)nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640534021 435598719 /nfs/dbraw/zinc/59/87/19/435598719.db2.gz ZTKCRDAGNHEQEU-UHFFFAOYSA-N 2 1 305.466 3.097 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000518564529 435643986 /nfs/dbraw/zinc/64/39/86/435643986.db2.gz PHEJQDJAYRUWNI-LBPRGKRZSA-N 2 1 314.271 3.225 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000518564529 435643988 /nfs/dbraw/zinc/64/39/88/435643988.db2.gz PHEJQDJAYRUWNI-LBPRGKRZSA-N 2 1 314.271 3.225 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663092 435662004 /nfs/dbraw/zinc/66/20/04/435662004.db2.gz YCDVOHOYZMUBHH-GOSISDBHSA-N 2 1 301.409 3.384 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663092 435662009 /nfs/dbraw/zinc/66/20/09/435662009.db2.gz YCDVOHOYZMUBHH-GOSISDBHSA-N 2 1 301.409 3.384 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000571175719 435684878 /nfs/dbraw/zinc/68/48/78/435684878.db2.gz KXHAMSJBMYMOQE-DOTOQJQBSA-N 2 1 312.461 3.307 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000571175719 435684882 /nfs/dbraw/zinc/68/48/82/435684882.db2.gz KXHAMSJBMYMOQE-DOTOQJQBSA-N 2 1 312.461 3.307 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@H]12 ZINC000519400914 435682087 /nfs/dbraw/zinc/68/20/87/435682087.db2.gz WONOXCMTZSUWSY-VNQPRFMTSA-N 2 1 305.491 3.360 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(C4CCCCC4)s3)C[C@H]12 ZINC000519400914 435682089 /nfs/dbraw/zinc/68/20/89/435682089.db2.gz WONOXCMTZSUWSY-VNQPRFMTSA-N 2 1 305.491 3.360 20 0 DGADMP C[C@@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000571313322 435697644 /nfs/dbraw/zinc/69/76/44/435697644.db2.gz ODPCHLOLMVMBSQ-PNHOKKKMSA-N 2 1 320.440 3.061 20 0 DGADMP C[C@@H](c1cccc2ccccc21)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000571313322 435697649 /nfs/dbraw/zinc/69/76/49/435697649.db2.gz ODPCHLOLMVMBSQ-PNHOKKKMSA-N 2 1 320.440 3.061 20 0 DGADMP Fc1cccc(F)c1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000645837834 435703023 /nfs/dbraw/zinc/70/30/23/435703023.db2.gz GRLVTLHKUAVOPS-LIRRHRJNSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1cccc(F)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000645837834 435703039 /nfs/dbraw/zinc/70/30/39/435703039.db2.gz GRLVTLHKUAVOPS-LIRRHRJNSA-N 2 1 320.427 3.456 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000520206030 435727519 /nfs/dbraw/zinc/72/75/19/435727519.db2.gz QUOXZRNRUXLOLN-IYBDPMFKSA-N 2 1 314.477 3.411 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520206030 435727521 /nfs/dbraw/zinc/72/75/21/435727521.db2.gz QUOXZRNRUXLOLN-IYBDPMFKSA-N 2 1 314.477 3.411 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520206030 435727522 /nfs/dbraw/zinc/72/75/22/435727522.db2.gz QUOXZRNRUXLOLN-IYBDPMFKSA-N 2 1 314.477 3.411 20 0 DGADMP COc1cccc(SCC[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000660464344 435762589 /nfs/dbraw/zinc/76/25/89/435762589.db2.gz NZRNRUKYVJTUNR-UHFFFAOYSA-N 2 1 308.491 3.205 20 0 DGADMP COc1cccc(SCC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000660464344 435762594 /nfs/dbraw/zinc/76/25/94/435762594.db2.gz NZRNRUKYVJTUNR-UHFFFAOYSA-N 2 1 308.491 3.205 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000651490094 435743517 /nfs/dbraw/zinc/74/35/17/435743517.db2.gz ZEMQAODVXJCUIO-LZLYRXPVSA-N 2 1 304.478 3.336 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655776355 435790049 /nfs/dbraw/zinc/79/00/49/435790049.db2.gz IETQVALZMXHTRT-RBUKOAKNSA-N 2 1 302.462 3.371 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655775743 435791290 /nfs/dbraw/zinc/79/12/90/435791290.db2.gz CSORFKPXJPVIBI-KZNAEPCWSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1N ZINC000641708441 435791986 /nfs/dbraw/zinc/79/19/86/435791986.db2.gz ZTYMEEPJXIOLBZ-MRXNPFEDSA-N 2 1 324.472 3.328 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC000641728726 435802127 /nfs/dbraw/zinc/80/21/27/435802127.db2.gz GQESDEBSXUETJF-CRAIPNDOSA-N 2 1 312.461 3.142 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccn21 ZINC000651736266 435810442 /nfs/dbraw/zinc/81/04/42/435810442.db2.gz RVJGFSQKKVFRKJ-RHSMWYFYSA-N 2 1 312.461 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccn21 ZINC000651736266 435810448 /nfs/dbraw/zinc/81/04/48/435810448.db2.gz RVJGFSQKKVFRKJ-RHSMWYFYSA-N 2 1 312.461 3.030 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1COc2ccccc2C1 ZINC000551004748 435816919 /nfs/dbraw/zinc/81/69/19/435816919.db2.gz FEPIVWCJJHNHPV-FUHWJXTLSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1COc2ccccc2C1 ZINC000551004747 435817081 /nfs/dbraw/zinc/81/70/81/435817081.db2.gz FEPIVWCJJHNHPV-AEFFLSMTSA-N 2 1 302.462 3.234 20 0 DGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000651758825 435818801 /nfs/dbraw/zinc/81/88/01/435818801.db2.gz PGQXFSLJAHBBOU-HSALFYBXSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472393 435765831 /nfs/dbraw/zinc/76/58/31/435765831.db2.gz JXPBZTZCCOZKDT-GDBMZVCRSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@H](c1cc(F)ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472393 435765838 /nfs/dbraw/zinc/76/58/38/435765838.db2.gz JXPBZTZCCOZKDT-GDBMZVCRSA-N 2 1 324.415 3.213 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474954 435766210 /nfs/dbraw/zinc/76/62/10/435766210.db2.gz SEVFQDBHRWQFGC-MSOLQXFVSA-N 2 1 302.462 3.243 20 0 DGADMP c1ccc(CCCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000660472885 435767499 /nfs/dbraw/zinc/76/74/99/435767499.db2.gz AUYYBIUKKZAGME-FQEVSTJZSA-N 2 1 316.489 3.196 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081813 435771465 /nfs/dbraw/zinc/77/14/65/435771465.db2.gz MWOQVOPEEIQBED-LJQANCHMSA-N 2 1 316.489 3.378 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)cc2Br)C1 ZINC000520838318 435776058 /nfs/dbraw/zinc/77/60/58/435776058.db2.gz XJTHYABDQVYMAJ-NXEZZACHSA-N 2 1 319.193 3.087 20 0 DGADMP Cc1cc(Br)ccc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000641781205 435821177 /nfs/dbraw/zinc/82/11/77/435821177.db2.gz ROUMELOCVGWUIO-LBPRGKRZSA-N 2 1 322.250 3.384 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641799934 435828910 /nfs/dbraw/zinc/82/89/10/435828910.db2.gz SWUXQGFEBWVBDY-LJQANCHMSA-N 2 1 311.429 3.226 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641799934 435828915 /nfs/dbraw/zinc/82/89/15/435828915.db2.gz SWUXQGFEBWVBDY-LJQANCHMSA-N 2 1 311.429 3.226 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664914068 435843988 /nfs/dbraw/zinc/84/39/88/435843988.db2.gz QCSZMEWSXGINLF-VQTJNVASSA-N 2 1 312.457 3.220 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664914068 435843995 /nfs/dbraw/zinc/84/39/95/435843995.db2.gz QCSZMEWSXGINLF-VQTJNVASSA-N 2 1 312.457 3.220 20 0 DGADMP CC(C)Oc1cccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660656145 435844462 /nfs/dbraw/zinc/84/44/62/435844462.db2.gz RWPSDSDKGCYUOC-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660656145 435844470 /nfs/dbraw/zinc/84/44/70/435844470.db2.gz RWPSDSDKGCYUOC-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660656145 435844477 /nfs/dbraw/zinc/84/44/77/435844477.db2.gz RWPSDSDKGCYUOC-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660656145 435844480 /nfs/dbraw/zinc/84/44/80/435844480.db2.gz RWPSDSDKGCYUOC-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660656145 435844485 /nfs/dbraw/zinc/84/44/85/435844485.db2.gz RWPSDSDKGCYUOC-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660659724 435846978 /nfs/dbraw/zinc/84/69/78/435846978.db2.gz QEFYTBLAPNNGBX-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659724 435846984 /nfs/dbraw/zinc/84/69/84/435846984.db2.gz QEFYTBLAPNNGBX-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659724 435846988 /nfs/dbraw/zinc/84/69/88/435846988.db2.gz QEFYTBLAPNNGBX-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP Fc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000651864047 435847172 /nfs/dbraw/zinc/84/71/72/435847172.db2.gz GJXSHBRICFNDLU-HOTGVXAUSA-N 2 1 302.437 3.464 20 0 DGADMP CCc1noc(C2CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC2)n1 ZINC000651865848 435849631 /nfs/dbraw/zinc/84/96/31/435849631.db2.gz JTDLPUZOAGHJPQ-UHFFFAOYSA-N 2 1 322.497 3.226 20 0 DGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000660696492 435862536 /nfs/dbraw/zinc/86/25/36/435862536.db2.gz QVDWURGSCIPGKX-UXBLZVDNSA-N 2 1 316.489 3.162 20 0 DGADMP CC[N@@H+](CCCNC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000651910085 435862621 /nfs/dbraw/zinc/86/26/21/435862621.db2.gz GPSUNPMXDOZSEE-UHFFFAOYSA-N 2 1 309.542 3.494 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1c(C)nn(C)c1C)C1CCCCC1 ZINC000651909864 435863144 /nfs/dbraw/zinc/86/31/44/435863144.db2.gz ZWEHZAMOCJCFFQ-UHFFFAOYSA-N 2 1 306.498 3.171 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1c(C)nn(C)c1C)C1CCCCC1 ZINC000651909864 435863150 /nfs/dbraw/zinc/86/31/50/435863150.db2.gz ZWEHZAMOCJCFFQ-UHFFFAOYSA-N 2 1 306.498 3.171 20 0 DGADMP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655938534 435865986 /nfs/dbraw/zinc/86/59/86/435865986.db2.gz XGUIPGSUJWNXBK-KSSFIOAISA-N 2 1 308.416 3.361 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655938534 435865992 /nfs/dbraw/zinc/86/59/92/435865992.db2.gz XGUIPGSUJWNXBK-KSSFIOAISA-N 2 1 308.416 3.361 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)noc2c1 ZINC000655941586 435866089 /nfs/dbraw/zinc/86/60/89/435866089.db2.gz XMZNFUIBYOKWIJ-HZPDHXFCSA-N 2 1 313.445 3.082 20 0 DGADMP COCc1ccccc1/C=C(/C)CNCC[N@@H+]1CC[C@H](C)C1 ZINC000552009570 435870583 /nfs/dbraw/zinc/87/05/83/435870583.db2.gz OJRQWRVVYWPEBH-BQGMYUGNSA-N 2 1 302.462 3.168 20 0 DGADMP COCc1ccccc1/C=C(/C)CNCC[N@H+]1CC[C@H](C)C1 ZINC000552009570 435870588 /nfs/dbraw/zinc/87/05/88/435870588.db2.gz OJRQWRVVYWPEBH-BQGMYUGNSA-N 2 1 302.462 3.168 20 0 DGADMP CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000641790131 435822674 /nfs/dbraw/zinc/82/26/74/435822674.db2.gz UEIKKKSHNRIXBS-ZWKOTPCHSA-N 2 1 311.429 3.192 20 0 DGADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551169740 435822803 /nfs/dbraw/zinc/82/28/03/435822803.db2.gz LDJCBFOVDGKISL-ZWKOTPCHSA-N 2 1 304.478 3.474 20 0 DGADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551169740 435822806 /nfs/dbraw/zinc/82/28/06/435822806.db2.gz LDJCBFOVDGKISL-ZWKOTPCHSA-N 2 1 304.478 3.474 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000641791944 435824349 /nfs/dbraw/zinc/82/43/49/435824349.db2.gz LSTKPQMRRJVXNA-NOLJZWGESA-N 2 1 301.459 3.259 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000641791944 435824355 /nfs/dbraw/zinc/82/43/55/435824355.db2.gz LSTKPQMRRJVXNA-NOLJZWGESA-N 2 1 301.459 3.259 20 0 DGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000641807505 435827079 /nfs/dbraw/zinc/82/70/79/435827079.db2.gz VCIVAPVOOFRVDY-ZWKOTPCHSA-N 2 1 323.440 3.008 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000641799910 435827559 /nfs/dbraw/zinc/82/75/59/435827559.db2.gz SOLTZPLWNNHSPE-CPUCHLNUSA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651982655 435883625 /nfs/dbraw/zinc/88/36/25/435883625.db2.gz DEYRCAPQEHUDGE-INIZCTEOSA-N 2 1 302.462 3.056 20 0 DGADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665237757 435924491 /nfs/dbraw/zinc/92/44/91/435924491.db2.gz JIEZXMBJGGSYHP-BHYGNILZSA-N 2 1 318.461 3.104 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1OCC ZINC000665249555 435928161 /nfs/dbraw/zinc/92/81/61/435928161.db2.gz SOXNTZZAONNMHI-AWEZNQCLSA-N 2 1 306.450 3.406 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000665255666 435930292 /nfs/dbraw/zinc/93/02/92/435930292.db2.gz YWUIZLYIVREJFU-ITOHMHRPSA-N 2 1 302.462 3.165 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]2CC)cc1 ZINC000665255539 435930503 /nfs/dbraw/zinc/93/05/03/435930503.db2.gz VTQJEINZBDOOGM-FZDIXFNVSA-N 2 1 302.462 3.309 20 0 DGADMP CCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665258695 435932376 /nfs/dbraw/zinc/93/23/76/435932376.db2.gz JFADFKGMQSECPL-YSVLISHTSA-N 2 1 308.441 3.448 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(C)C)cc1F ZINC000665259158 435932402 /nfs/dbraw/zinc/93/24/02/435932402.db2.gz WROLKKXBJKUKCS-KMFMINBZSA-N 2 1 308.441 3.304 20 0 DGADMP c1cn(Cc2cccc(CNCc3ccc4c(n3)CCC4)c2)cn1 ZINC000656475901 435958035 /nfs/dbraw/zinc/95/80/35/435958035.db2.gz FXNYUTANFPKODB-UHFFFAOYSA-N 2 1 318.424 3.105 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363094 435959025 /nfs/dbraw/zinc/95/90/25/435959025.db2.gz XPQDHRKUGSJSGM-AQNXPRMDSA-N 2 1 316.489 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CO1 ZINC000647171869 435960570 /nfs/dbraw/zinc/96/05/70/435960570.db2.gz ZKHFCNDTDHYQFB-GPMSIDNRSA-N 2 1 302.462 3.328 20 0 DGADMP CC(C)Cn1nccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000647171852 435960883 /nfs/dbraw/zinc/96/08/83/435960883.db2.gz YXKAGOQKYUFWHC-KRWDZBQOSA-N 2 1 306.498 3.141 20 0 DGADMP C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000656512061 435964068 /nfs/dbraw/zinc/96/40/68/435964068.db2.gz ICCNQGFBBROMAP-GJLUPPFNSA-N 2 1 322.880 3.224 20 0 DGADMP C[C@@H](NCc1ccc2c(n1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534120 435967144 /nfs/dbraw/zinc/96/71/44/435967144.db2.gz AKCCHUWXIQZRHT-NVXWUHKLSA-N 2 1 313.489 3.313 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000656534120 435967151 /nfs/dbraw/zinc/96/71/51/435967151.db2.gz AKCCHUWXIQZRHT-NVXWUHKLSA-N 2 1 313.489 3.313 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534120 435967156 /nfs/dbraw/zinc/96/71/56/435967156.db2.gz AKCCHUWXIQZRHT-NVXWUHKLSA-N 2 1 313.489 3.313 20 0 DGADMP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000647243840 435987095 /nfs/dbraw/zinc/98/70/95/435987095.db2.gz PTKIZYUPXQPESC-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647248954 435990487 /nfs/dbraw/zinc/99/04/87/435990487.db2.gz SRERJYWERQOWJJ-WBVHZDCISA-N 2 1 315.486 3.141 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647248954 435990488 /nfs/dbraw/zinc/99/04/88/435990488.db2.gz SRERJYWERQOWJJ-WBVHZDCISA-N 2 1 315.486 3.141 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(CO)CCC1 ZINC000652310436 435947089 /nfs/dbraw/zinc/94/70/89/435947089.db2.gz GTCNADRFTIJOAJ-PKOBYXMFSA-N 2 1 316.489 3.039 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000650708164 435995317 /nfs/dbraw/zinc/99/53/17/435995317.db2.gz UQFHVUABHRCUSF-VBLKRQGLSA-N 2 1 318.436 3.057 20 0 DGADMP Oc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000652337524 435953350 /nfs/dbraw/zinc/95/33/50/435953350.db2.gz RHHSILDQHQPBLE-HXUWFJFHSA-N 2 1 308.425 3.375 20 0 DGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348110 435954756 /nfs/dbraw/zinc/95/47/56/435954756.db2.gz UTCNVGHWKIRCPF-HUHSQHJXSA-N 2 1 306.425 3.105 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H]1CC[NH3+] ZINC000652353783 435956066 /nfs/dbraw/zinc/95/60/66/435956066.db2.gz CYPCVIQLNLERHY-FZKQIMNGSA-N 2 1 317.408 3.430 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348185 435956630 /nfs/dbraw/zinc/95/66/30/435956630.db2.gz WTCNNVNYULIOSQ-INDMIFKZSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348822 435956673 /nfs/dbraw/zinc/95/66/73/435956673.db2.gz SFUHBWUFZWBMGZ-WNHJNPCNSA-N 2 1 302.462 3.274 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348188 435956744 /nfs/dbraw/zinc/95/67/44/435956744.db2.gz WTCNNVNYULIOSQ-WJFTUGDTSA-N 2 1 302.462 3.356 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)[C@H]1CC[NH3+] ZINC000652354052 435956954 /nfs/dbraw/zinc/95/69/54/435956954.db2.gz MCTUWJUIPYHNHW-HKUYNNGSSA-N 2 1 304.478 3.085 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000650709398 435997486 /nfs/dbraw/zinc/99/74/86/435997486.db2.gz YFWVDURQFKWLRN-PMACEKPBSA-N 2 1 307.441 3.309 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OC(C)C ZINC000650711552 435998379 /nfs/dbraw/zinc/99/83/79/435998379.db2.gz WRJJCQULBQHYOL-WBVHZDCISA-N 2 1 320.477 3.432 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc2c1 ZINC000650711784 435998565 /nfs/dbraw/zinc/99/85/65/435998565.db2.gz DJICVYGGCQBDSB-CXAGYDPISA-N 2 1 302.418 3.391 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)[C@@H]1CC[NH3+] ZINC000650710951 435999420 /nfs/dbraw/zinc/99/94/20/435999420.db2.gz DHDNQYKLSUOLDB-SWLSCSKDSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)[C@@H]1CC[NH3+] ZINC000650710951 435999427 /nfs/dbraw/zinc/99/94/27/435999427.db2.gz DHDNQYKLSUOLDB-SWLSCSKDSA-N 2 1 320.868 3.176 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650711082 435999622 /nfs/dbraw/zinc/99/96/22/435999622.db2.gz HQTBAPQGUIZCQA-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CNc4ccccc4C3)CC2)cc1 ZINC000650716297 436002422 /nfs/dbraw/zinc/00/24/22/436002422.db2.gz WRPVJANNSFGIJT-FQEVSTJZSA-N 2 1 321.468 3.277 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)c1 ZINC000650722423 436005114 /nfs/dbraw/zinc/00/51/14/436005114.db2.gz SLQPVGUZZJPQKO-OTWHNJEPSA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000650722641 436005787 /nfs/dbraw/zinc/00/57/87/436005787.db2.gz YNMNUWGDCGRKNS-BRWVUGGUSA-N 2 1 308.853 3.201 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cscc2Cl)C1 ZINC000650723464 436007716 /nfs/dbraw/zinc/00/77/16/436007716.db2.gz OLLLXRZJEFUKNS-SNPRPXQTSA-N 2 1 314.882 3.262 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647320799 436013040 /nfs/dbraw/zinc/01/30/40/436013040.db2.gz FEIDFXJFZYUHCT-PMPSAXMXSA-N 2 1 320.502 3.250 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1 ZINC000656698955 436013798 /nfs/dbraw/zinc/01/37/98/436013798.db2.gz DFPAUIQAEILGMC-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000656698955 436013801 /nfs/dbraw/zinc/01/38/01/436013801.db2.gz DFPAUIQAEILGMC-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000656698955 436013806 /nfs/dbraw/zinc/01/38/06/436013806.db2.gz DFPAUIQAEILGMC-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694611 436014111 /nfs/dbraw/zinc/01/41/11/436014111.db2.gz SKGAFDFOLARFIG-IRXDYDNUSA-N 2 1 312.885 3.328 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694611 436014115 /nfs/dbraw/zinc/01/41/15/436014115.db2.gz SKGAFDFOLARFIG-IRXDYDNUSA-N 2 1 312.885 3.328 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000650754393 436018647 /nfs/dbraw/zinc/01/86/47/436018647.db2.gz HYTNCHDAADKPGI-QGZVFWFLSA-N 2 1 318.367 3.427 20 0 DGADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1C(C)(C)C ZINC000650754668 436019464 /nfs/dbraw/zinc/01/94/64/436019464.db2.gz OBTRMNVHTFRGGP-LBPRGKRZSA-N 2 1 318.440 3.395 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647336529 436021044 /nfs/dbraw/zinc/02/10/44/436021044.db2.gz BRCOEBLVSHVLIF-KVPLUYHFSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344383 436025075 /nfs/dbraw/zinc/02/50/75/436025075.db2.gz PMMXFOJHEBFIJD-DBVUQKKJSA-N 2 1 316.489 3.127 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000656783040 436042483 /nfs/dbraw/zinc/04/24/83/436042483.db2.gz MKFMMTMYZVDYAP-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP c1cc2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccc2cn1 ZINC000656783613 436042562 /nfs/dbraw/zinc/04/25/62/436042562.db2.gz RHWFUCMGAPZCMF-FQEVSTJZSA-N 2 1 309.457 3.446 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000656786286 436045013 /nfs/dbraw/zinc/04/50/13/436045013.db2.gz RVHPUIACCZMEAS-GOSISDBHSA-N 2 1 318.509 3.122 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788812 436046755 /nfs/dbraw/zinc/04/67/55/436046755.db2.gz CRSPHZQUBJCGGB-UHFFFAOYSA-N 2 1 311.429 3.118 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCC1 ZINC000656788318 436047006 /nfs/dbraw/zinc/04/70/06/436047006.db2.gz JHQAGZAFYPIKCB-UHFFFAOYSA-N 2 1 311.429 3.022 20 0 DGADMP CCCCOc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OC ZINC000656788268 436047724 /nfs/dbraw/zinc/04/77/24/436047724.db2.gz HGTKQIVDEBWOLH-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OC(F)F ZINC000656788144 436047926 /nfs/dbraw/zinc/04/79/26/436047926.db2.gz DQVBXVYZIXWSTJ-UHFFFAOYSA-N 2 1 314.376 3.048 20 0 DGADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OCC(C)C ZINC000656788682 436048062 /nfs/dbraw/zinc/04/80/62/436048062.db2.gz WZCZTUCLXBMWST-UHFFFAOYSA-N 2 1 306.450 3.091 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OCC ZINC000650708598 435995772 /nfs/dbraw/zinc/99/57/72/435995772.db2.gz GNMBKSVTBAHHJY-LPHOPBHVSA-N 2 1 318.461 3.045 20 0 DGADMP CC1(C)CCC(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708261 435995860 /nfs/dbraw/zinc/99/58/60/435995860.db2.gz WHTHSTNCQLPPHD-RCCFBDPRSA-N 2 1 308.510 3.421 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3sccc3Cl)C2)C1 ZINC000650707450 435996116 /nfs/dbraw/zinc/99/61/16/435996116.db2.gz GQXROOQZKPYQNA-OUCADQQQSA-N 2 1 314.882 3.120 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000650707368 435996484 /nfs/dbraw/zinc/99/64/84/435996484.db2.gz DRSYYIRNWBBXLA-TWKWOARYSA-N 2 1 320.452 3.148 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708892 435997125 /nfs/dbraw/zinc/99/71/25/435997125.db2.gz SPIYVGCXPVDZAN-PXNSSMCTSA-N 2 1 324.472 3.050 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480489 436059259 /nfs/dbraw/zinc/05/92/59/436059259.db2.gz PMDVFKYJBGDGNF-DZGCQCFKSA-N 2 1 316.474 3.102 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480489 436059265 /nfs/dbraw/zinc/05/92/65/436059265.db2.gz PMDVFKYJBGDGNF-DZGCQCFKSA-N 2 1 316.474 3.102 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480787 436060418 /nfs/dbraw/zinc/06/04/18/436060418.db2.gz ZUZNNRUKYVFTPE-RTBURBONSA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480787 436060421 /nfs/dbraw/zinc/06/04/21/436060421.db2.gz ZUZNNRUKYVFTPE-RTBURBONSA-N 2 1 322.456 3.108 20 0 DGADMP CCCOc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC ZINC000647482856 436062901 /nfs/dbraw/zinc/06/29/01/436062901.db2.gz DEKSNYFCLMYBRT-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC ZINC000647482856 436062907 /nfs/dbraw/zinc/06/29/07/436062907.db2.gz DEKSNYFCLMYBRT-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498126 436065262 /nfs/dbraw/zinc/06/52/62/436065262.db2.gz AVXWNNRCBPAITQ-JKSUJKDBSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498126 436065267 /nfs/dbraw/zinc/06/52/67/436065267.db2.gz AVXWNNRCBPAITQ-JKSUJKDBSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498950 436065330 /nfs/dbraw/zinc/06/53/30/436065330.db2.gz UPYASDIFSFTEKC-RBUKOAKNSA-N 2 1 317.521 3.204 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498157 436066048 /nfs/dbraw/zinc/06/60/48/436066048.db2.gz BOZTXTUTVWSIEA-CZUORRHYSA-N 2 1 301.459 3.369 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498157 436066054 /nfs/dbraw/zinc/06/60/54/436066054.db2.gz BOZTXTUTVWSIEA-CZUORRHYSA-N 2 1 301.459 3.369 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498354 436066685 /nfs/dbraw/zinc/06/66/85/436066685.db2.gz FXPQVSWRKMZEOC-SJORKVTESA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498354 436066686 /nfs/dbraw/zinc/06/66/86/436066686.db2.gz FXPQVSWRKMZEOC-SJORKVTESA-N 2 1 320.477 3.433 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647509873 436068368 /nfs/dbraw/zinc/06/83/68/436068368.db2.gz KZPWHALSPCZLPF-DZGCQCFKSA-N 2 1 324.428 3.002 20 0 DGADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506489 436068549 /nfs/dbraw/zinc/06/85/49/436068549.db2.gz JFCGPJPWMQYNNC-GSHBMFQSSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506489 436068552 /nfs/dbraw/zinc/06/85/52/436068552.db2.gz JFCGPJPWMQYNNC-GSHBMFQSSA-N 2 1 302.462 3.008 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000647509886 436068666 /nfs/dbraw/zinc/06/86/66/436068666.db2.gz OLFJHJKDRTZZOM-LZWOXQAQSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647509233 436068781 /nfs/dbraw/zinc/06/87/81/436068781.db2.gz WXFHOCBEQJXALT-KBPBESRZSA-N 2 1 324.428 3.002 20 0 DGADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543180 436077206 /nfs/dbraw/zinc/07/72/06/436077206.db2.gz IUDIXZXTJMEFQN-ZWKOTPCHSA-N 2 1 324.472 3.084 20 0 DGADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543151 436078596 /nfs/dbraw/zinc/07/85/96/436078596.db2.gz IGOJJHLAONQEBY-ROUUACIJSA-N 2 1 324.472 3.084 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC000647543975 436079030 /nfs/dbraw/zinc/07/90/30/436079030.db2.gz VCJCIFYIZUMHJS-RBUKOAKNSA-N 2 1 324.472 3.084 20 0 DGADMP c1cnc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647543267 436079260 /nfs/dbraw/zinc/07/92/60/436079260.db2.gz KESJRKOKINVQGX-RBUKOAKNSA-N 2 1 309.457 3.446 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000647549725 436081248 /nfs/dbraw/zinc/08/12/48/436081248.db2.gz OGYRFYLWQLCLHK-OLZOCXBDSA-N 2 1 323.278 3.068 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000647803965 436125128 /nfs/dbraw/zinc/12/51/28/436125128.db2.gz GEYUXAOJNUALPM-RFLLJTPXSA-N 2 1 300.446 3.267 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1cc(F)ccc1OC(F)F ZINC000657305674 436126778 /nfs/dbraw/zinc/12/67/78/436126778.db2.gz QRFQRHJIFBPYLJ-UHFFFAOYSA-N 2 1 304.356 3.247 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647836747 436132665 /nfs/dbraw/zinc/13/26/65/436132665.db2.gz WCDZDRBJTVZEBY-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP C[N@@H+](CCC[NH3+])CCCCOc1cccc(C(F)(F)F)c1 ZINC000647848395 436134717 /nfs/dbraw/zinc/13/47/17/436134717.db2.gz PRIZDISWWHSVNC-UHFFFAOYSA-N 2 1 304.356 3.145 20 0 DGADMP c1cc2c(cc[nH+]c2N[C@@H](C[NH+]2CCOCC2)c2ccccc2)[nH]1 ZINC000647850909 436135035 /nfs/dbraw/zinc/13/50/35/436135035.db2.gz JCYAZAHGXBHPCL-SFHVURJKSA-N 2 1 322.412 3.048 20 0 DGADMP CCC[N@H+]1CC[C@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657325647 436137044 /nfs/dbraw/zinc/13/70/44/436137044.db2.gz OTDISPQYEBQMSJ-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657325647 436137049 /nfs/dbraw/zinc/13/70/49/436137049.db2.gz OTDISPQYEBQMSJ-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657325647 436137057 /nfs/dbraw/zinc/13/70/57/436137057.db2.gz OTDISPQYEBQMSJ-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP COc1ccc2c(c1)CCC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647884420 436140895 /nfs/dbraw/zinc/14/08/95/436140895.db2.gz OBCKGJBSRKVXAE-UHFFFAOYSA-N 2 1 302.462 3.223 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647884167 436141184 /nfs/dbraw/zinc/14/11/84/436141184.db2.gz WZKKMAXOCVNIJV-APWZRJJASA-N 2 1 302.462 3.228 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657334783 436141815 /nfs/dbraw/zinc/14/18/15/436141815.db2.gz HGUIWSVDIFKPNP-GUDVDZBRSA-N 2 1 302.462 3.056 20 0 DGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647888172 436142119 /nfs/dbraw/zinc/14/21/19/436142119.db2.gz WMEBLTAMBYXAJG-HUUCEWRRSA-N 2 1 322.880 3.213 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647885892 436142245 /nfs/dbraw/zinc/14/22/45/436142245.db2.gz HCNNVOZTIUHDFE-IBGZPJMESA-N 2 1 302.462 3.148 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000647889442 436142631 /nfs/dbraw/zinc/14/26/31/436142631.db2.gz QWNLFBRUKKRATH-LPHOPBHVSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](c1ccccc1)C2 ZINC000647890731 436142825 /nfs/dbraw/zinc/14/28/25/436142825.db2.gz LUIBIYLNFCIWMW-HRAATJIYSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](c1ccccc1)C2 ZINC000647890731 436142830 /nfs/dbraw/zinc/14/28/30/436142830.db2.gz LUIBIYLNFCIWMW-HRAATJIYSA-N 2 1 322.452 3.404 20 0 DGADMP C[C@]1(c2ccccc2)C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884617 436142909 /nfs/dbraw/zinc/14/29/09/436142909.db2.gz PBLCURRYFFVLLJ-LJQANCHMSA-N 2 1 302.462 3.014 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNCc1ccc(F)c(F)c1F ZINC000657293723 436118997 /nfs/dbraw/zinc/11/89/97/436118997.db2.gz UOJUXZVXMZUSAF-LBPRGKRZSA-N 2 1 300.368 3.458 20 0 DGADMP FC(F)(F)Oc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000657295497 436119418 /nfs/dbraw/zinc/11/94/18/436119418.db2.gz QQEQECQTPFHMFA-UHFFFAOYSA-N 2 1 311.307 3.018 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000647789331 436119730 /nfs/dbraw/zinc/11/97/30/436119730.db2.gz ARPSCQAGQAQFCB-MTQWCTHYSA-N 3 1 319.537 3.009 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1CC1CCCCC1 ZINC000647789331 436119731 /nfs/dbraw/zinc/11/97/31/436119731.db2.gz ARPSCQAGQAQFCB-MTQWCTHYSA-N 2 1 319.537 3.009 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647790369 436120792 /nfs/dbraw/zinc/12/07/92/436120792.db2.gz XBGYLVZXDJYZFQ-HSALFYBXSA-N 3 1 315.505 3.005 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000657297992 436122883 /nfs/dbraw/zinc/12/28/83/436122883.db2.gz KJRNKEJEMBPRCE-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC[C@@H]1c1ccccc1 ZINC000647965680 436160930 /nfs/dbraw/zinc/16/09/30/436160930.db2.gz FSVMQHLXWIWCAO-RLLQIKCJSA-N 2 1 318.505 3.203 20 0 DGADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC[C@@H]1c1ccccc1 ZINC000647965680 436160937 /nfs/dbraw/zinc/16/09/37/436160937.db2.gz FSVMQHLXWIWCAO-RLLQIKCJSA-N 2 1 318.505 3.203 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000653298740 436155791 /nfs/dbraw/zinc/15/57/91/436155791.db2.gz FMNNNXSMLIVVKZ-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP Cc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965556 436162921 /nfs/dbraw/zinc/16/29/21/436162921.db2.gz AEQPCHVJGYZXII-XIRDDKMYSA-N 2 1 308.466 3.062 20 0 DGADMP c1ccc(CC[C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988741 436170236 /nfs/dbraw/zinc/17/02/36/436170236.db2.gz GIKGCMGKFJTLFF-FQEVSTJZSA-N 2 1 316.489 3.100 20 0 DGADMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)cc1C ZINC000653517283 436193184 /nfs/dbraw/zinc/19/31/84/436193184.db2.gz HVXIJNZSRPMWQX-UHFFFAOYSA-N 2 1 315.461 3.118 20 0 DGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)cc1C ZINC000653517283 436193188 /nfs/dbraw/zinc/19/31/88/436193188.db2.gz HVXIJNZSRPMWQX-UHFFFAOYSA-N 2 1 315.461 3.118 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657430799 436197356 /nfs/dbraw/zinc/19/73/56/436197356.db2.gz RXWYEMAFINQSGZ-OQIJWPOYSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000648068367 436201379 /nfs/dbraw/zinc/20/13/79/436201379.db2.gz UXFZNSIVEYQUQG-XWSJACJDSA-N 2 1 318.530 3.452 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461023 436211991 /nfs/dbraw/zinc/21/19/91/436211991.db2.gz CWLRCBMZVZJMAN-GUDVDZBRSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461023 436211993 /nfs/dbraw/zinc/21/19/93/436211993.db2.gz CWLRCBMZVZJMAN-GUDVDZBRSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1csc(C2([NH2+]CCCc3c[nH+]cn3C)CCCC2)n1 ZINC000653582958 436214351 /nfs/dbraw/zinc/21/43/51/436214351.db2.gz FXLVOUFUUJRFNC-UHFFFAOYSA-N 2 1 304.463 3.177 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657469576 436216445 /nfs/dbraw/zinc/21/64/45/436216445.db2.gz KHGHXISQBSNHCX-SLFFLAALSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]1(C)CO ZINC000662143014 436287261 /nfs/dbraw/zinc/28/72/61/436287261.db2.gz MQURJOSYAJQKCD-YLJYHZDGSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653904947 436294470 /nfs/dbraw/zinc/29/44/70/436294470.db2.gz QFTYANRYCXIDDA-MRXNPFEDSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653904947 436294472 /nfs/dbraw/zinc/29/44/72/436294472.db2.gz QFTYANRYCXIDDA-MRXNPFEDSA-N 2 1 305.466 3.395 20 0 DGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC/C=C\c1cncc(OC)c1 ZINC000662179398 436294539 /nfs/dbraw/zinc/29/45/39/436294539.db2.gz KQAZZSWCYJRKRD-CLFYSBASSA-N 2 1 305.466 3.204 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC/C=C\c1cncc(OC)c1 ZINC000662179398 436294541 /nfs/dbraw/zinc/29/45/41/436294541.db2.gz KQAZZSWCYJRKRD-CLFYSBASSA-N 2 1 305.466 3.204 20 0 DGADMP C[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751887 436295128 /nfs/dbraw/zinc/29/51/28/436295128.db2.gz VHDIRFJKNBTJHY-PXNSSMCTSA-N 2 1 316.489 3.098 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000657751395 436295940 /nfs/dbraw/zinc/29/59/40/436295940.db2.gz IFCSUBVPQBLJRC-QUCCMNQESA-N 2 1 316.489 3.413 20 0 DGADMP Cc1ccc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657595335 436256159 /nfs/dbraw/zinc/25/61/59/436256159.db2.gz OZLLXKJWPVIIGB-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP Cc1cccc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596416 436258026 /nfs/dbraw/zinc/25/80/26/436258026.db2.gz MZHKNCOPCTYMQR-HXUWFJFHSA-N 2 1 324.468 3.160 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@H](C)C1 ZINC000657596195 436258096 /nfs/dbraw/zinc/25/80/96/436258096.db2.gz MCCLNQIPRSQTOF-JXXFODFXSA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657629176 436262987 /nfs/dbraw/zinc/26/29/87/436262987.db2.gz LYTWTASXEHIVDI-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657629176 436262990 /nfs/dbraw/zinc/26/29/90/436262990.db2.gz LYTWTASXEHIVDI-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806173 436267777 /nfs/dbraw/zinc/26/77/77/436267777.db2.gz KWRXZEVCWZMKBO-SFHVURJKSA-N 2 1 324.472 3.294 20 0 DGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770719 436279397 /nfs/dbraw/zinc/27/93/97/436279397.db2.gz SWFAZNWSARXKRP-UKRRQHHQSA-N 2 1 312.404 3.341 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000657701873 436282584 /nfs/dbraw/zinc/28/25/84/436282584.db2.gz DATYPFYTRCBFKN-SJORKVTESA-N 2 1 317.477 3.364 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)C1 ZINC000657974838 436349661 /nfs/dbraw/zinc/34/96/61/436349661.db2.gz UYJDTEMACUCVBC-NJAFHUGGSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)C1 ZINC000657974838 436349666 /nfs/dbraw/zinc/34/96/66/436349666.db2.gz UYJDTEMACUCVBC-NJAFHUGGSA-N 2 1 322.880 3.022 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912174 436298108 /nfs/dbraw/zinc/29/81/08/436298108.db2.gz PILRUSKTHODTJA-QGZVFWFLSA-N 2 1 310.401 3.143 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912172 436298296 /nfs/dbraw/zinc/29/82/96/436298296.db2.gz PILRUSKTHODTJA-KRWDZBQOSA-N 2 1 310.401 3.143 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771613 436300671 /nfs/dbraw/zinc/30/06/71/436300671.db2.gz LGUWBLRFGFFATQ-IBGZPJMESA-N 2 1 324.472 3.110 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000657786597 436305340 /nfs/dbraw/zinc/30/53/40/436305340.db2.gz OCVLSLZMTIYOBD-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657786597 436305345 /nfs/dbraw/zinc/30/53/45/436305345.db2.gz OCVLSLZMTIYOBD-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cc2ccccc2o1 ZINC000662255489 436313577 /nfs/dbraw/zinc/31/35/77/436313577.db2.gz YWMLBLULVAISDZ-GOEBONIOSA-N 2 1 314.429 3.337 20 0 DGADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252566 436313947 /nfs/dbraw/zinc/31/39/47/436313947.db2.gz ASCUMJAJWPZCCU-PXNSSMCTSA-N 2 1 322.452 3.498 20 0 DGADMP C[N@@H+](CCc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266416 436315766 /nfs/dbraw/zinc/31/57/66/436315766.db2.gz YEZLAPZBSULHHI-PBWFPOADSA-N 2 1 301.459 3.054 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)C[C@@H]21 ZINC000662267158 436315803 /nfs/dbraw/zinc/31/58/03/436315803.db2.gz SSDAOEJBXWYDHJ-OSAQELSMSA-N 2 1 312.429 3.116 20 0 DGADMP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270404 436319795 /nfs/dbraw/zinc/31/97/95/436319795.db2.gz KMWKDAIWQDFGNJ-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270404 436319799 /nfs/dbraw/zinc/31/97/99/436319799.db2.gz KMWKDAIWQDFGNJ-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP Brc1csc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666999387 436322670 /nfs/dbraw/zinc/32/26/70/436322670.db2.gz BLWFNURAVNNTKY-NSHDSACASA-N 2 1 315.280 3.275 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657839022 436322672 /nfs/dbraw/zinc/32/26/72/436322672.db2.gz KAKLMSPFMDZVLY-GASCZTMLSA-N 2 1 302.453 3.422 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cncc(Br)c1 ZINC000657839754 436323994 /nfs/dbraw/zinc/32/39/94/436323994.db2.gz FUDUDDWQOTZGOA-GLQYFDAESA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cncc(Br)c1 ZINC000657839754 436323998 /nfs/dbraw/zinc/32/39/98/436323998.db2.gz FUDUDDWQOTZGOA-GLQYFDAESA-N 2 1 324.266 3.122 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298034 436325419 /nfs/dbraw/zinc/32/54/19/436325419.db2.gz UEIVSTVTWBPXGY-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000662315421 436328685 /nfs/dbraw/zinc/32/86/85/436328685.db2.gz OXSFRDAPLMEKDA-KDOFPFPSSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000662315421 436328689 /nfs/dbraw/zinc/32/86/89/436328689.db2.gz OXSFRDAPLMEKDA-KDOFPFPSSA-N 2 1 322.880 3.492 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000667039542 436328907 /nfs/dbraw/zinc/32/89/07/436328907.db2.gz VMNMOHAETYDYNK-VYDXJSESSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)[C@@H]1CCC[NH3+] ZINC000662315838 436329146 /nfs/dbraw/zinc/32/91/46/436329146.db2.gz UAMOJODHMVWNOQ-CHWSQXEVSA-N 2 1 320.462 3.138 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CCO1 ZINC000662318177 436329325 /nfs/dbraw/zinc/32/93/25/436329325.db2.gz WZZVGPVMOHATQT-LJQANCHMSA-N 2 1 312.457 3.382 20 0 DGADMP CC(C)=CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328135 436330566 /nfs/dbraw/zinc/33/05/66/436330566.db2.gz YYECVCINVNBYBQ-UHFFFAOYSA-N 2 1 316.493 3.412 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662320304 436330881 /nfs/dbraw/zinc/33/08/81/436330881.db2.gz AZAAQQDQSLKBMG-GOSISDBHSA-N 2 1 304.478 3.154 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CCO1 ZINC000662326683 436330963 /nfs/dbraw/zinc/33/09/63/436330963.db2.gz YWNARIFSPGRDBF-OALUTQOASA-N 2 1 316.489 3.149 20 0 DGADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662327779 436331311 /nfs/dbraw/zinc/33/13/11/436331311.db2.gz MKVQMYIWTRAOIO-UHFFFAOYSA-N 2 1 324.472 3.256 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662324356 436331445 /nfs/dbraw/zinc/33/14/45/436331445.db2.gz WGUWIUIHLKMGJI-UHFFFAOYSA-N 2 1 323.278 3.463 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662324356 436331446 /nfs/dbraw/zinc/33/14/46/436331446.db2.gz WGUWIUIHLKMGJI-UHFFFAOYSA-N 2 1 323.278 3.463 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000667055282 436331489 /nfs/dbraw/zinc/33/14/89/436331489.db2.gz KJLYVZSURGWAPC-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000667055282 436331490 /nfs/dbraw/zinc/33/14/90/436331490.db2.gz KJLYVZSURGWAPC-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)[C@H]1c1cccs1 ZINC000657889132 436333509 /nfs/dbraw/zinc/33/35/09/436333509.db2.gz OMDDSYCHRNJSPD-INMHGKMJSA-N 2 1 320.502 3.432 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)[C@H]1c1cccs1 ZINC000657889132 436333513 /nfs/dbraw/zinc/33/35/13/436333513.db2.gz OMDDSYCHRNJSPD-INMHGKMJSA-N 2 1 320.502 3.432 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1CCCn2nccc21)[N@H+](C)Cc1ccccc1 ZINC000657898610 436335501 /nfs/dbraw/zinc/33/55/01/436335501.db2.gz FMTORNUYKOOYLB-FUHWJXTLSA-N 2 1 312.461 3.218 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1CCCn2nccc21)[N@@H+](C)Cc1ccccc1 ZINC000657898610 436335505 /nfs/dbraw/zinc/33/55/05/436335505.db2.gz FMTORNUYKOOYLB-FUHWJXTLSA-N 2 1 312.461 3.218 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657901480 436336430 /nfs/dbraw/zinc/33/64/30/436336430.db2.gz UJIRCYZMVHUCRG-NEWSRXKRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657901480 436336432 /nfs/dbraw/zinc/33/64/32/436336432.db2.gz UJIRCYZMVHUCRG-NEWSRXKRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)C(F)F ZINC000657914716 436340095 /nfs/dbraw/zinc/34/00/95/436340095.db2.gz FOJGEJIWYLABBC-AWEZNQCLSA-N 2 1 318.452 3.291 20 0 DGADMP CC[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090044 436371404 /nfs/dbraw/zinc/37/14/04/436371404.db2.gz CZBWNMUUEFIUQY-JKSUJKDBSA-N 2 1 318.461 3.371 20 0 DGADMP CC[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090044 436371409 /nfs/dbraw/zinc/37/14/09/436371409.db2.gz CZBWNMUUEFIUQY-JKSUJKDBSA-N 2 1 318.461 3.371 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090211 436371615 /nfs/dbraw/zinc/37/16/15/436371615.db2.gz FMANPDWYNCIKCM-CZUORRHYSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090211 436371616 /nfs/dbraw/zinc/37/16/16/436371616.db2.gz FMANPDWYNCIKCM-CZUORRHYSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC[N@H+](C(C)(C)C)C3)CC2)C1 ZINC000658089936 436372350 /nfs/dbraw/zinc/37/23/50/436372350.db2.gz CEBVPECUHABRNK-NZSAHSFTSA-N 2 1 321.553 3.492 20 0 DGADMP CC[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090042 436372408 /nfs/dbraw/zinc/37/24/08/436372408.db2.gz CZBWNMUUEFIUQY-HZPDHXFCSA-N 2 1 318.461 3.371 20 0 DGADMP CC[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090042 436372409 /nfs/dbraw/zinc/37/24/09/436372409.db2.gz CZBWNMUUEFIUQY-HZPDHXFCSA-N 2 1 318.461 3.371 20 0 DGADMP OCC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000662748988 436384308 /nfs/dbraw/zinc/38/43/08/436384308.db2.gz VGIPWIZXOGKEBZ-GOSISDBHSA-N 2 1 316.489 3.267 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658134799 436385009 /nfs/dbraw/zinc/38/50/09/436385009.db2.gz BPVXQJILSCJEGX-WOJBJXKFSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[C@H]1C ZINC000658139582 436387400 /nfs/dbraw/zinc/38/74/00/436387400.db2.gz QFUOCKCFHYXNKZ-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139422 436387567 /nfs/dbraw/zinc/38/75/67/436387567.db2.gz RJCDRTIQDSZCFU-VAMGGRTRSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[C@H](C)C1 ZINC000658140482 436387614 /nfs/dbraw/zinc/38/76/14/436387614.db2.gz UMGPVMIJBNXACP-YKCBXCCJSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658142151 436387767 /nfs/dbraw/zinc/38/77/67/436387767.db2.gz DGXQKKDVRONFAU-UWJYYQICSA-N 2 1 324.468 3.412 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000658171031 436394189 /nfs/dbraw/zinc/39/41/89/436394189.db2.gz WBJNRGQQTAWWGE-WBMJQRKESA-N 2 1 321.371 3.256 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320365 436429516 /nfs/dbraw/zinc/42/95/16/436429516.db2.gz UGSWOQHGFIJKNU-YQVWRLOYSA-N 2 1 316.489 3.302 20 0 DGADMP CC[NH+](CC)Cc1ccc(CNc2cc(CO)cc(C)[nH+]2)cc1 ZINC000663354280 436446383 /nfs/dbraw/zinc/44/63/83/436446383.db2.gz NJKJAHKMNAXPDK-UHFFFAOYSA-N 2 1 313.445 3.336 20 0 DGADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465989 436463373 /nfs/dbraw/zinc/46/33/73/436463373.db2.gz MPSMMXCIMBIKDC-VQIMIIECSA-N 2 1 314.473 3.481 20 0 DGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663467053 436464937 /nfs/dbraw/zinc/46/49/37/436464937.db2.gz ZIFATAQVRRNXKU-OKZBNKHCSA-N 2 1 308.510 3.290 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658288773 436419460 /nfs/dbraw/zinc/41/94/60/436419460.db2.gz ZCLURDHUHSNILI-YTQUADARSA-N 2 1 307.526 3.103 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000658314485 436428455 /nfs/dbraw/zinc/42/84/55/436428455.db2.gz HFUMABVKURIDCD-KMFMINBZSA-N 2 1 315.486 3.301 20 0 DGADMP c1cc2c(cc[nH+]c2N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000663861533 436520892 /nfs/dbraw/zinc/52/08/92/436520892.db2.gz WTCGBHJPKXMVEM-CALCHBBNSA-N 2 1 318.424 3.131 20 0 DGADMP Cc1cc(N2CCC[C@H](Nc3[nH+]ccc4[nH]ccc43)C2)nc(C)[nH+]1 ZINC000663556571 436478014 /nfs/dbraw/zinc/47/80/14/436478014.db2.gz GAEIRDDQBHRBNI-AWEZNQCLSA-N 2 1 322.416 3.051 20 0 DGADMP Cc1cc(CO)cc(NCC2CC[NH+](CCC(C)C)CC2)[nH+]1 ZINC000663700248 436492663 /nfs/dbraw/zinc/49/26/63/436492663.db2.gz RYQZOLLBNKZOMV-UHFFFAOYSA-N 2 1 305.466 3.052 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nsc4ccccc43)CC[C@H]21 ZINC000660010644 436578348 /nfs/dbraw/zinc/57/83/48/436578348.db2.gz KOIYPFGIVDGGGP-RHSMWYFYSA-N 2 1 315.486 3.255 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3nsc4ccccc43)CC[C@H]21 ZINC000660010644 436578351 /nfs/dbraw/zinc/57/83/51/436578351.db2.gz KOIYPFGIVDGGGP-RHSMWYFYSA-N 2 1 315.486 3.255 20 0 DGADMP CCc1nc(N2CCC([NH2+]Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000663959459 436533851 /nfs/dbraw/zinc/53/38/51/436533851.db2.gz LWVOPAZTLMLYRN-UHFFFAOYSA-N 2 1 310.445 3.106 20 0 DGADMP COc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)sn1 ZINC000659837860 436538811 /nfs/dbraw/zinc/53/88/11/436538811.db2.gz ICXUJTQAOXRSMK-UHFFFAOYSA-N 2 1 323.506 3.240 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000659856348 436545201 /nfs/dbraw/zinc/54/52/01/436545201.db2.gz CUWOTKBFXOVHAT-KDURUIRLSA-N 2 1 321.553 3.162 20 0 DGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000659910190 436556785 /nfs/dbraw/zinc/55/67/85/436556785.db2.gz NYBIHGKZJBHPSE-OALUTQOASA-N 2 1 321.553 3.305 20 0 DGADMP C[N@H+](Cc1cc(F)ccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000659919967 436560007 /nfs/dbraw/zinc/56/00/07/436560007.db2.gz MMCWLUMAJJRAAR-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP CO[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000659972877 436572654 /nfs/dbraw/zinc/57/26/54/436572654.db2.gz ZBYQNNCHDJAYNH-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972877 436572658 /nfs/dbraw/zinc/57/26/58/436572658.db2.gz ZBYQNNCHDJAYNH-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972877 436572661 /nfs/dbraw/zinc/57/26/61/436572661.db2.gz ZBYQNNCHDJAYNH-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000659984270 436574001 /nfs/dbraw/zinc/57/40/01/436574001.db2.gz GWYIQIIJZINLJZ-KBPBESRZSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCc2nsc3ccccc32)CC[N@H+]1C ZINC000659984270 436574002 /nfs/dbraw/zinc/57/40/02/436574002.db2.gz GWYIQIIJZINLJZ-KBPBESRZSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984270 436574006 /nfs/dbraw/zinc/57/40/06/436574006.db2.gz GWYIQIIJZINLJZ-KBPBESRZSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984270 436574008 /nfs/dbraw/zinc/57/40/08/436574008.db2.gz GWYIQIIJZINLJZ-KBPBESRZSA-N 2 1 303.475 3.253 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659989338 436574891 /nfs/dbraw/zinc/57/48/91/436574891.db2.gz IZPMHUPKDCOESJ-AWEZNQCLSA-N 2 1 303.475 3.112 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659989338 436574896 /nfs/dbraw/zinc/57/48/96/436574896.db2.gz IZPMHUPKDCOESJ-AWEZNQCLSA-N 2 1 303.475 3.112 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000659989338 436574900 /nfs/dbraw/zinc/57/49/00/436574900.db2.gz IZPMHUPKDCOESJ-AWEZNQCLSA-N 2 1 303.475 3.112 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000659989338 436574902 /nfs/dbraw/zinc/57/49/02/436574902.db2.gz IZPMHUPKDCOESJ-AWEZNQCLSA-N 2 1 303.475 3.112 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655690936 436575950 /nfs/dbraw/zinc/57/59/50/436575950.db2.gz AHLZBNNXUPPGOA-SFHVURJKSA-N 2 1 312.461 3.350 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CS1 ZINC000655691032 436576164 /nfs/dbraw/zinc/57/61/64/436576164.db2.gz BOMREWDBHLADIA-QAPCUYQASA-N 2 1 304.503 3.309 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CS1 ZINC000655691032 436576166 /nfs/dbraw/zinc/57/61/66/436576166.db2.gz BOMREWDBHLADIA-QAPCUYQASA-N 2 1 304.503 3.309 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSc2cccc(OC)c2)[C@H](C)C1 ZINC000660081871 436586857 /nfs/dbraw/zinc/58/68/57/436586857.db2.gz JUSNCRFPWHAWGV-QAPCUYQASA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSc2cccc(OC)c2)[C@H](C)C1 ZINC000660081871 436586859 /nfs/dbraw/zinc/58/68/59/436586859.db2.gz JUSNCRFPWHAWGV-QAPCUYQASA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSc2cccc(OC)c2)[C@H](C)C1 ZINC000660081871 436586861 /nfs/dbraw/zinc/58/68/61/436586861.db2.gz JUSNCRFPWHAWGV-QAPCUYQASA-N 2 1 322.518 3.449 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2coc(C)n2)CC1)CC1CC1 ZINC000660168433 436597554 /nfs/dbraw/zinc/59/75/54/436597554.db2.gz QOVGYRCPNNDSDP-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2coc(C)n2)CC1)CC1CC1 ZINC000660168433 436597557 /nfs/dbraw/zinc/59/75/57/436597557.db2.gz QOVGYRCPNNDSDP-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(N)c1 ZINC000660165397 436598796 /nfs/dbraw/zinc/59/87/96/436598796.db2.gz DBJGJDFXWWKSBY-UHFFFAOYSA-N 2 1 324.472 3.402 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194440 436601690 /nfs/dbraw/zinc/60/16/90/436601690.db2.gz JITOPPABOCNENU-QZTJIDSGSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194440 436601696 /nfs/dbraw/zinc/60/16/96/436601696.db2.gz JITOPPABOCNENU-QZTJIDSGSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000660220087 436607238 /nfs/dbraw/zinc/60/72/38/436607238.db2.gz HFBNDKKFYJQLHC-RBUKOAKNSA-N 2 1 304.478 3.209 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000660220087 436607242 /nfs/dbraw/zinc/60/72/42/436607242.db2.gz HFBNDKKFYJQLHC-RBUKOAKNSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@@H]([NH2+]CCOCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256706 436615433 /nfs/dbraw/zinc/61/54/33/436615433.db2.gz NSEUVIIKDKAVOT-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cccc(C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CC2)c1 ZINC000168346959 312696001 /nfs/dbraw/zinc/69/60/01/312696001.db2.gz YJFCAUWDNVXCHJ-IBGZPJMESA-N 2 1 316.489 3.017 20 0 DGADMP C[N@H+]1CCCC12CCN(CCCOc1ccc(F)cc1)CC2 ZINC000377198715 313028240 /nfs/dbraw/zinc/02/82/40/313028240.db2.gz QXCBRRFHJNQNRP-UHFFFAOYSA-N 2 1 306.425 3.155 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](CCCOc1ccc(F)cc1)CC2 ZINC000377198715 313028243 /nfs/dbraw/zinc/02/82/43/313028243.db2.gz QXCBRRFHJNQNRP-UHFFFAOYSA-N 2 1 306.425 3.155 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CCCOc1ccc(F)cc1)CC2 ZINC000377198715 313028248 /nfs/dbraw/zinc/02/82/48/313028248.db2.gz QXCBRRFHJNQNRP-UHFFFAOYSA-N 2 1 306.425 3.155 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2(C)C)c1 ZINC000530244486 313346890 /nfs/dbraw/zinc/34/68/90/313346890.db2.gz LWLYVMVBTXBWRI-MJGOQNOKSA-N 2 1 302.462 3.120 20 0 DGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCc1c[nH+]cn1C)CCCO2 ZINC000530354896 313360378 /nfs/dbraw/zinc/36/03/78/313360378.db2.gz BNLVYBMLCWZYOZ-MRXNPFEDSA-N 2 1 319.836 3.428 20 0 DGADMP CC[NH+](CC)CCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000530365825 313361853 /nfs/dbraw/zinc/36/18/53/313361853.db2.gz JFFUXCIGTUWERG-UHFFFAOYSA-N 2 1 309.542 3.306 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CCC2)o1 ZINC000541731896 314034567 /nfs/dbraw/zinc/03/45/67/314034567.db2.gz COGUYLBWQAREMJ-PKOBYXMFSA-N 2 1 320.477 3.256 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867193 314270883 /nfs/dbraw/zinc/27/08/83/314270883.db2.gz NRSXLAURXNIYGJ-OXQOHEQNSA-N 2 1 316.489 3.452 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867193 314270887 /nfs/dbraw/zinc/27/08/87/314270887.db2.gz NRSXLAURXNIYGJ-OXQOHEQNSA-N 2 1 316.489 3.452 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000546224770 314297235 /nfs/dbraw/zinc/29/72/35/314297235.db2.gz NBPBFWYMHCYRIP-OAHLLOKOSA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503226 314374165 /nfs/dbraw/zinc/37/41/65/314374165.db2.gz JSXKDYYGNSNHKV-KVPLUYHFSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381963 315015824 /nfs/dbraw/zinc/01/58/24/315015824.db2.gz XXUBANJIAODPQO-UXHICEINSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381963 315015825 /nfs/dbraw/zinc/01/58/25/315015825.db2.gz XXUBANJIAODPQO-UXHICEINSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000562578740 315032651 /nfs/dbraw/zinc/03/26/51/315032651.db2.gz VQBGHPAQMBQAFN-MFKWGIFDSA-N 2 1 314.473 3.054 20 0 DGADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000562959571 315065116 /nfs/dbraw/zinc/06/51/16/315065116.db2.gz YOSAVTPWHIBUNE-WOJBJXKFSA-N 2 1 318.424 3.322 20 0 DGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000562988171 315067707 /nfs/dbraw/zinc/06/77/07/315067707.db2.gz MLMLHIGWCUMEHI-HBFSDRIKSA-N 2 1 318.505 3.253 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000563135484 315082740 /nfs/dbraw/zinc/08/27/40/315082740.db2.gz LAXSXEBXWMZGFK-OALUTQOASA-N 2 1 322.452 3.404 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000564466121 315178120 /nfs/dbraw/zinc/17/81/20/315178120.db2.gz ZAQBRQHMKIOOKU-UHFFFAOYSA-N 2 1 323.444 3.109 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499658 315179382 /nfs/dbraw/zinc/17/93/82/315179382.db2.gz SMJYTMGRBWSQKB-QWFCFKBJSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499658 315179384 /nfs/dbraw/zinc/17/93/84/315179384.db2.gz SMJYTMGRBWSQKB-QWFCFKBJSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499658 315179387 /nfs/dbraw/zinc/17/93/87/315179387.db2.gz SMJYTMGRBWSQKB-QWFCFKBJSA-N 3 1 321.553 3.349 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000565082939 315228396 /nfs/dbraw/zinc/22/83/96/315228396.db2.gz MMIWVTLSLQQICF-LJQANCHMSA-N 2 1 302.462 3.188 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000565082939 315228399 /nfs/dbraw/zinc/22/83/99/315228399.db2.gz MMIWVTLSLQQICF-LJQANCHMSA-N 2 1 302.462 3.188 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000565227534 315244455 /nfs/dbraw/zinc/24/44/55/315244455.db2.gz ZGGXAHZTUXRLIN-NSHDSACASA-N 2 1 320.234 3.416 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000565782673 315287295 /nfs/dbraw/zinc/28/72/95/315287295.db2.gz IQGNFXYJACBCEU-OAHLLOKOSA-N 2 1 318.490 3.381 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000565782673 315287298 /nfs/dbraw/zinc/28/72/98/315287298.db2.gz IQGNFXYJACBCEU-OAHLLOKOSA-N 2 1 318.490 3.381 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000565962849 315300704 /nfs/dbraw/zinc/30/07/04/315300704.db2.gz XCAGZRYVCPLBPY-JKSUJKDBSA-N 2 1 314.477 3.442 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983425 315302044 /nfs/dbraw/zinc/30/20/44/315302044.db2.gz IYRYSGPLQHKTHW-YOEHRIQHSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983425 315302046 /nfs/dbraw/zinc/30/20/46/315302046.db2.gz IYRYSGPLQHKTHW-YOEHRIQHSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983425 315302048 /nfs/dbraw/zinc/30/20/48/315302048.db2.gz IYRYSGPLQHKTHW-YOEHRIQHSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983425 315302050 /nfs/dbraw/zinc/30/20/50/315302050.db2.gz IYRYSGPLQHKTHW-YOEHRIQHSA-N 2 1 310.844 3.438 20 0 DGADMP CCC[N@@H+](CC)CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000566860196 315380050 /nfs/dbraw/zinc/38/00/50/315380050.db2.gz QMEVKLZKMCHREG-UHFFFAOYSA-N 2 1 302.466 3.279 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999328 316084705 /nfs/dbraw/zinc/08/47/05/316084705.db2.gz GATCPLMBJDNSAV-MOPGFXCFSA-N 2 1 304.478 3.260 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999328 316084708 /nfs/dbraw/zinc/08/47/08/316084708.db2.gz GATCPLMBJDNSAV-MOPGFXCFSA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999328 316084711 /nfs/dbraw/zinc/08/47/11/316084711.db2.gz GATCPLMBJDNSAV-MOPGFXCFSA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999328 316084715 /nfs/dbraw/zinc/08/47/15/316084715.db2.gz GATCPLMBJDNSAV-MOPGFXCFSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000576626360 316150509 /nfs/dbraw/zinc/15/05/09/316150509.db2.gz AJCBOPLIARHAMK-LLVKDONJSA-N 2 1 317.296 3.476 20 0 DGADMP COc1ccc2nc(CNC[C@H]3CC[N@H+](C(C)C)C3)sc2c1 ZINC000576789562 316167404 /nfs/dbraw/zinc/16/74/04/316167404.db2.gz MDLRTSNKABLFGO-CYBMUJFWSA-N 2 1 319.474 3.125 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802174 316169092 /nfs/dbraw/zinc/16/90/92/316169092.db2.gz JEHGLUHAPNLCRP-OXQOHEQNSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802174 316169095 /nfs/dbraw/zinc/16/90/95/316169095.db2.gz JEHGLUHAPNLCRP-OXQOHEQNSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802174 316169100 /nfs/dbraw/zinc/16/91/00/316169100.db2.gz JEHGLUHAPNLCRP-OXQOHEQNSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802174 316169101 /nfs/dbraw/zinc/16/91/01/316169101.db2.gz JEHGLUHAPNLCRP-OXQOHEQNSA-N 2 1 311.473 3.019 20 0 DGADMP CN(c1ccccc1C[N@@H+]1CCC[C@@H](F)C1)C1CC[NH+](C)CC1 ZINC000577617795 316253512 /nfs/dbraw/zinc/25/35/12/316253512.db2.gz NRZLQSRFRORGRK-QGZVFWFLSA-N 2 1 319.468 3.151 20 0 DGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](F)C1)C1CC[NH+](C)CC1 ZINC000577617795 316253513 /nfs/dbraw/zinc/25/35/13/316253513.db2.gz NRZLQSRFRORGRK-QGZVFWFLSA-N 2 1 319.468 3.151 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000577865802 316279427 /nfs/dbraw/zinc/27/94/27/316279427.db2.gz OHINCJWTSOTNQF-BBBLOLIVSA-N 2 1 307.385 3.473 20 0 DGADMP c1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000577882409 316281800 /nfs/dbraw/zinc/28/18/00/316281800.db2.gz XFIHPBCCTOCIEE-SJORKVTESA-N 2 1 302.418 3.027 20 0 DGADMP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc2nccn21 ZINC000180328528 323226737 /nfs/dbraw/zinc/22/67/37/323226737.db2.gz TXASFHGFXGGCBY-IBGZPJMESA-N 2 1 323.440 3.353 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nccn1C ZINC000182243798 323288729 /nfs/dbraw/zinc/28/87/29/323288729.db2.gz VETDEHPZMIWPFF-MRXNPFEDSA-N 2 1 312.461 3.257 20 0 DGADMP C[C@H]([NH2+]CCOc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748675 323394559 /nfs/dbraw/zinc/39/45/59/323394559.db2.gz VMCSTHVYPNKHQB-HOTGVXAUSA-N 2 1 320.452 3.447 20 0 DGADMP CC(C)[NH2+]CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000580968531 324060070 /nfs/dbraw/zinc/06/00/70/324060070.db2.gz ADLGFLQLOZICEE-UHFFFAOYSA-N 2 1 317.477 3.388 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000581549048 324129117 /nfs/dbraw/zinc/12/91/17/324129117.db2.gz NRVGFRRNEMOHGL-OALUTQOASA-N 2 1 310.441 3.150 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000582011057 324178494 /nfs/dbraw/zinc/17/84/94/324178494.db2.gz OEBUSWTVFSNVBQ-UHFFFAOYSA-N 2 1 321.852 3.407 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000582011057 324178497 /nfs/dbraw/zinc/17/84/97/324178497.db2.gz OEBUSWTVFSNVBQ-UHFFFAOYSA-N 2 1 321.852 3.407 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000582056621 324184173 /nfs/dbraw/zinc/18/41/73/324184173.db2.gz KZSVQLFZEQXXNB-NSHDSACASA-N 2 1 304.356 3.466 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000582128759 324192883 /nfs/dbraw/zinc/19/28/83/324192883.db2.gz HGLYFUXSAFLTQU-VINWQNLFSA-N 2 1 316.489 3.471 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000582128759 324192888 /nfs/dbraw/zinc/19/28/88/324192888.db2.gz HGLYFUXSAFLTQU-VINWQNLFSA-N 2 1 316.489 3.471 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000582150560 324196212 /nfs/dbraw/zinc/19/62/12/324196212.db2.gz GVBZUGZOSDZVPB-DEYYWGMASA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000582150560 324196216 /nfs/dbraw/zinc/19/62/16/324196216.db2.gz GVBZUGZOSDZVPB-DEYYWGMASA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000582150560 324196218 /nfs/dbraw/zinc/19/62/18/324196218.db2.gz GVBZUGZOSDZVPB-DEYYWGMASA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000582150560 324196221 /nfs/dbraw/zinc/19/62/21/324196221.db2.gz GVBZUGZOSDZVPB-DEYYWGMASA-N 2 1 324.896 3.219 20 0 DGADMP CC(C)COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582632235 324254812 /nfs/dbraw/zinc/25/48/12/324254812.db2.gz ANZUCLMRMDALQY-LPHOPBHVSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582632235 324254818 /nfs/dbraw/zinc/25/48/18/324254818.db2.gz ANZUCLMRMDALQY-LPHOPBHVSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000582632235 324254824 /nfs/dbraw/zinc/25/48/24/324254824.db2.gz ANZUCLMRMDALQY-LPHOPBHVSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000582632235 324254826 /nfs/dbraw/zinc/25/48/26/324254826.db2.gz ANZUCLMRMDALQY-LPHOPBHVSA-N 2 1 304.478 3.493 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(C4CC4)s3)C2)CC1 ZINC000582753151 324270475 /nfs/dbraw/zinc/27/04/75/324270475.db2.gz RHJRVXNSFABTMU-OAHLLOKOSA-N 2 1 305.491 3.184 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000582778090 324273611 /nfs/dbraw/zinc/27/36/11/324273611.db2.gz GKOVURMSOFXEID-HJYDQQMMSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000582778090 324273613 /nfs/dbraw/zinc/27/36/13/324273613.db2.gz GKOVURMSOFXEID-HJYDQQMMSA-N 2 1 306.400 3.427 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468174 324357237 /nfs/dbraw/zinc/35/72/37/324357237.db2.gz JZGKRRHRAZZGTA-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468174 324357241 /nfs/dbraw/zinc/35/72/41/324357241.db2.gz JZGKRRHRAZZGTA-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468174 324357247 /nfs/dbraw/zinc/35/72/47/324357247.db2.gz JZGKRRHRAZZGTA-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468174 324357252 /nfs/dbraw/zinc/35/72/52/324357252.db2.gz JZGKRRHRAZZGTA-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000584270390 332178235 /nfs/dbraw/zinc/17/82/35/332178235.db2.gz ZDJQWCSHSIXGJZ-KRWDZBQOSA-N 2 1 324.896 3.402 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000584485621 337349610 /nfs/dbraw/zinc/34/96/10/337349610.db2.gz NVLIVWQNJMQCKR-SXLOBPIMSA-N 2 1 321.553 3.494 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000395111658 1176785907 /nfs/dbraw/zinc/78/59/07/1176785907.db2.gz CIFBMIBRFYNGBF-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000395111658 1176785911 /nfs/dbraw/zinc/78/59/11/1176785911.db2.gz CIFBMIBRFYNGBF-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000432786102 533742745 /nfs/dbraw/zinc/74/27/45/533742745.db2.gz NRZUCPBKYSKHOC-WBVHZDCISA-N 2 1 322.468 3.429 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413071 533818359 /nfs/dbraw/zinc/81/83/59/533818359.db2.gz FQYVWEYXCFZOCS-MOPGFXCFSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413071 533818364 /nfs/dbraw/zinc/81/83/64/533818364.db2.gz FQYVWEYXCFZOCS-MOPGFXCFSA-N 2 1 318.505 3.407 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408522 533849004 /nfs/dbraw/zinc/84/90/04/533849004.db2.gz BSUVAIDUGLYRDL-MSOLQXFVSA-N 2 1 318.505 3.443 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408522 533849010 /nfs/dbraw/zinc/84/90/10/533849010.db2.gz BSUVAIDUGLYRDL-MSOLQXFVSA-N 2 1 318.505 3.443 20 0 DGADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)[NH+]1CCCCC1 ZINC000436411800 533940497 /nfs/dbraw/zinc/94/04/97/533940497.db2.gz FRNJHEWSJVQEIV-CQSZACIVSA-N 2 1 318.490 3.492 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000297321107 533964837 /nfs/dbraw/zinc/96/48/37/533964837.db2.gz NIOOYMSUIFSXEG-FRYIKTPZSA-N 2 1 316.489 3.180 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991055 534025854 /nfs/dbraw/zinc/02/58/54/534025854.db2.gz NYUBHGUANWEZOI-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292991055 534025864 /nfs/dbraw/zinc/02/58/64/534025864.db2.gz NYUBHGUANWEZOI-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991055 534025875 /nfs/dbraw/zinc/02/58/75/534025875.db2.gz NYUBHGUANWEZOI-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@H]1C[NH3+] ZINC000415121911 534043188 /nfs/dbraw/zinc/04/31/88/534043188.db2.gz HSXXLIOZNGTIMS-DGCLKSJQSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C[C@H]1C[NH3+] ZINC000415121911 534043194 /nfs/dbraw/zinc/04/31/94/534043194.db2.gz HSXXLIOZNGTIMS-DGCLKSJQSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000442754372 534080676 /nfs/dbraw/zinc/08/06/76/534080676.db2.gz IEBFFYMDKRUVOR-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444601763 534102824 /nfs/dbraw/zinc/10/28/24/534102824.db2.gz XCPNHJXFBQLFQW-QGZVFWFLSA-N 2 1 304.478 3.434 20 0 DGADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414781290 534134563 /nfs/dbraw/zinc/13/45/63/534134563.db2.gz CDSVLMWGEAUSRM-UHFFFAOYSA-N 2 1 315.280 3.013 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000305755574 534398671 /nfs/dbraw/zinc/39/86/71/534398671.db2.gz AMHNLOCXOWISHF-IEBWSBKVSA-N 2 1 320.452 3.030 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000318693025 534406879 /nfs/dbraw/zinc/40/68/79/534406879.db2.gz PHSIBWZLMNMGEE-UONOGXRCSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000318693025 534406889 /nfs/dbraw/zinc/40/68/89/534406889.db2.gz PHSIBWZLMNMGEE-UONOGXRCSA-N 2 1 314.351 3.302 20 0 DGADMP Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309685914 534418250 /nfs/dbraw/zinc/41/82/50/534418250.db2.gz ASUIVKZYIQTINJ-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000331714577 534450221 /nfs/dbraw/zinc/45/02/21/534450221.db2.gz MZBUOSMLHIEDRG-SJLPKXTDSA-N 2 1 315.461 3.209 20 0 DGADMP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000415078688 534493002 /nfs/dbraw/zinc/49/30/02/534493002.db2.gz GTGWVTSUCIBPQZ-RISCZKNCSA-N 2 1 304.331 3.408 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428042876 534631602 /nfs/dbraw/zinc/63/16/02/534631602.db2.gz DRLNFCSVMFUVFA-NHYWBVRUSA-N 2 1 315.244 3.056 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428042876 534631606 /nfs/dbraw/zinc/63/16/06/534631606.db2.gz DRLNFCSVMFUVFA-NHYWBVRUSA-N 2 1 315.244 3.056 20 0 DGADMP Clc1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC000415037786 534633156 /nfs/dbraw/zinc/63/31/56/534633156.db2.gz NHUNKORTZGIRFM-FOLVSLTJSA-N 2 1 304.846 3.376 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000442931187 534653760 /nfs/dbraw/zinc/65/37/60/534653760.db2.gz VKOGPKFTNDQVNL-GFCCVEGCSA-N 2 1 307.488 3.432 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000442930060 534654473 /nfs/dbraw/zinc/65/44/73/534654473.db2.gz SKIFKLQIMPEFGN-CYBMUJFWSA-N 2 1 316.367 3.189 20 0 DGADMP Cc1[nH+]c2ccccc2c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1C ZINC000302102842 534670658 /nfs/dbraw/zinc/67/06/58/534670658.db2.gz VVKVMDRXSIQJTR-HOTGVXAUSA-N 2 1 313.445 3.373 20 0 DGADMP COc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157515205 523948390 /nfs/dbraw/zinc/94/83/90/523948390.db2.gz JXDVVMCDTPVKBG-GOSISDBHSA-N 2 1 302.462 3.188 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2O1 ZINC000317251041 527773974 /nfs/dbraw/zinc/77/39/74/527773974.db2.gz NLMUOSQJCMRNKK-IRXDYDNUSA-N 2 1 300.446 3.117 20 0 DGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000178240039 527862043 /nfs/dbraw/zinc/86/20/43/527862043.db2.gz CJVILJUQGDVFSL-RDTXWAMCSA-N 2 1 311.429 3.338 20 0 DGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000178240039 527862046 /nfs/dbraw/zinc/86/20/46/527862046.db2.gz CJVILJUQGDVFSL-RDTXWAMCSA-N 2 1 311.429 3.338 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415937076 527996317 /nfs/dbraw/zinc/99/63/17/527996317.db2.gz VKAUAXIEMGSECR-HNNXBMFYSA-N 2 1 320.481 3.038 20 0 DGADMP CC(C)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432360177 528100166 /nfs/dbraw/zinc/10/01/66/528100166.db2.gz UQBSWEYYSUGLJW-KRWDZBQOSA-N 2 1 304.478 3.401 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cnc(C)cn1 ZINC000428443588 528171754 /nfs/dbraw/zinc/17/17/54/528171754.db2.gz ZGDULLVSSVKMCN-IKGGRYGDSA-N 2 1 304.482 3.336 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415058974 528221941 /nfs/dbraw/zinc/22/19/41/528221941.db2.gz WGFYMNTZQPBLIT-HKUYNNGSSA-N 2 1 302.462 3.438 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000415130983 528665350 /nfs/dbraw/zinc/66/53/50/528665350.db2.gz RPWPUOFISCSMIC-DOTOQJQBSA-N 2 1 320.477 3.291 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424285609 528668041 /nfs/dbraw/zinc/66/80/41/528668041.db2.gz DZANUNHWAYRLLG-WNHJNPCNSA-N 2 1 308.510 3.149 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000430580300 528859872 /nfs/dbraw/zinc/85/98/72/528859872.db2.gz LXCPYLGSVBMOCQ-LJQANCHMSA-N 2 1 313.445 3.124 20 0 DGADMP CCOCc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435390750 529032186 /nfs/dbraw/zinc/03/21/86/529032186.db2.gz QCPHDMIPVWDTIH-SFHVURJKSA-N 2 1 320.477 3.196 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449089636 534946126 /nfs/dbraw/zinc/94/61/26/534946126.db2.gz DMHGVKVYJCMOCF-KRWDZBQOSA-N 2 1 318.461 3.060 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000472293786 535550722 /nfs/dbraw/zinc/55/07/22/535550722.db2.gz NQKOQLQUGMWPFT-HKUYNNGSSA-N 2 1 304.478 3.489 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccncc2F)c1 ZINC000449092595 535609407 /nfs/dbraw/zinc/60/94/07/535609407.db2.gz UUMQHHZRJUBWKX-UHFFFAOYSA-N 2 1 301.409 3.352 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449641339 536010932 /nfs/dbraw/zinc/01/09/32/536010932.db2.gz CYDWNWJUFTVOIF-KKXDTOCCSA-N 2 1 301.434 3.381 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449643182 536011131 /nfs/dbraw/zinc/01/11/31/536011131.db2.gz YULRTMTXXWVOAF-NQYYFHDYSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449643182 536011135 /nfs/dbraw/zinc/01/11/35/536011135.db2.gz YULRTMTXXWVOAF-NQYYFHDYSA-N 2 1 304.478 3.179 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCCC2(F)F)s1 ZINC000449379409 536057780 /nfs/dbraw/zinc/05/77/80/536057780.db2.gz TUHAJXIDYGZOFL-NSHDSACASA-N 2 1 303.422 3.120 20 0 DGADMP C[NH+]1CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000449452458 536343356 /nfs/dbraw/zinc/34/33/56/536343356.db2.gz FYFLZAAYXJVXTC-IHWYPQMZSA-N 2 1 309.251 3.146 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090577581 545829892 /nfs/dbraw/zinc/82/98/92/545829892.db2.gz WPDWVDHWFPJFGZ-QZTJIDSGSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CCO)C1 ZINC000093106741 545853574 /nfs/dbraw/zinc/85/35/74/545853574.db2.gz URHGYXDFKXMPIA-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000093106741 545853581 /nfs/dbraw/zinc/85/35/81/545853581.db2.gz URHGYXDFKXMPIA-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CCO)C1 ZINC000093106741 545853586 /nfs/dbraw/zinc/85/35/86/545853586.db2.gz URHGYXDFKXMPIA-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2cccs2)cc1 ZINC000093685345 545858498 /nfs/dbraw/zinc/85/84/98/545858498.db2.gz LNLUYEFJHGYUNA-UHFFFAOYSA-N 2 1 318.486 3.363 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000165947295 546094172 /nfs/dbraw/zinc/09/41/72/546094172.db2.gz CZKXMOVZDLHZHB-AQNXPRMDSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000165947295 546094177 /nfs/dbraw/zinc/09/41/77/546094177.db2.gz CZKXMOVZDLHZHB-AQNXPRMDSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000165947295 546094181 /nfs/dbraw/zinc/09/41/81/546094181.db2.gz CZKXMOVZDLHZHB-AQNXPRMDSA-N 2 1 315.505 3.068 20 0 DGADMP CCN(CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166144567 546094969 /nfs/dbraw/zinc/09/49/69/546094969.db2.gz QHEALNGFDBBTAQ-KZNAEPCWSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166144567 546094971 /nfs/dbraw/zinc/09/49/71/546094971.db2.gz QHEALNGFDBBTAQ-KZNAEPCWSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166144567 546094974 /nfs/dbraw/zinc/09/49/74/546094974.db2.gz QHEALNGFDBBTAQ-KZNAEPCWSA-N 2 1 321.534 3.347 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc2ccccc12 ZINC000228200744 546269744 /nfs/dbraw/zinc/26/97/44/546269744.db2.gz UUPNFBQOPKAPHE-QWHCGFSZSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc2ccccc12 ZINC000228200744 546269747 /nfs/dbraw/zinc/26/97/47/546269747.db2.gz UUPNFBQOPKAPHE-QWHCGFSZSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000281353092 546386332 /nfs/dbraw/zinc/38/63/32/546386332.db2.gz VPGNQZSJPBLJDN-HNNXBMFYSA-N 2 1 309.417 3.118 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000281378075 546386980 /nfs/dbraw/zinc/38/69/80/546386980.db2.gz XAHKZPUCBCAOGC-HOTGVXAUSA-N 2 1 323.444 3.364 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000281378079 546387357 /nfs/dbraw/zinc/38/73/57/546387357.db2.gz XAHKZPUCBCAOGC-HZPDHXFCSA-N 2 1 323.444 3.364 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ncc[nH]1 ZINC000285665762 546399034 /nfs/dbraw/zinc/39/90/34/546399034.db2.gz NAZJAJRKIPPAKG-INIZCTEOSA-N 2 1 312.461 3.492 20 0 DGADMP Cc1cnccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294748654 546424458 /nfs/dbraw/zinc/42/44/58/546424458.db2.gz IANBENQPHIWPBD-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cnccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294748654 546424460 /nfs/dbraw/zinc/42/44/60/546424460.db2.gz IANBENQPHIWPBD-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cnccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294748654 546424462 /nfs/dbraw/zinc/42/44/62/546424462.db2.gz IANBENQPHIWPBD-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cnccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294748654 546424466 /nfs/dbraw/zinc/42/44/66/546424466.db2.gz IANBENQPHIWPBD-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000309887793 546452006 /nfs/dbraw/zinc/45/20/06/546452006.db2.gz AEBXVCNTVZMBAC-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP CCN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C)c1 ZINC000339065779 546532093 /nfs/dbraw/zinc/53/20/93/546532093.db2.gz HCFICCPIPMDHMF-HKUYNNGSSA-N 2 1 301.478 3.038 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066846 546532189 /nfs/dbraw/zinc/53/21/89/546532189.db2.gz IENBLYMYHOBIFG-KURKYZTESA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339066846 546532193 /nfs/dbraw/zinc/53/21/93/546532193.db2.gz IENBLYMYHOBIFG-KURKYZTESA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339066846 546532197 /nfs/dbraw/zinc/53/21/97/546532197.db2.gz IENBLYMYHOBIFG-KURKYZTESA-N 2 1 307.526 3.103 20 0 DGADMP c1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069423 546533054 /nfs/dbraw/zinc/53/30/54/546533054.db2.gz VQAIOGIKNHAAPY-WCIQWLHISA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)(C)c1csc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339069756 546533343 /nfs/dbraw/zinc/53/33/43/546533343.db2.gz VNFAOMUYHQOUKC-KBPBESRZSA-N 2 1 307.507 3.200 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000342764685 546559446 /nfs/dbraw/zinc/55/94/46/546559446.db2.gz JVUIUXVDPMXRRO-MRXNPFEDSA-N 2 1 300.450 3.255 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCO[C@H](C(C)C)C3)CC2)[nH+]1 ZINC000345052246 546574152 /nfs/dbraw/zinc/57/41/52/546574152.db2.gz BKHVSUOLBWYVCV-MSOLQXFVSA-N 2 1 317.477 3.152 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381098038 546737761 /nfs/dbraw/zinc/73/77/61/546737761.db2.gz YTIJVEXNDRYFSB-XUVXKRRUSA-N 2 1 316.489 3.446 20 0 DGADMP Oc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000383756907 546741648 /nfs/dbraw/zinc/74/16/48/546741648.db2.gz DCNKOILCZFMLLY-CEWLAPEOSA-N 2 1 322.452 3.392 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390817370 546755811 /nfs/dbraw/zinc/75/58/11/546755811.db2.gz OCHYYLYRZBFWQO-LPHOPBHVSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccncn1 ZINC000395806493 546761660 /nfs/dbraw/zinc/76/16/60/546761660.db2.gz CMQROJJTJHOTBL-TXJVSEOTSA-N 2 1 322.456 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncn1 ZINC000395806493 546761662 /nfs/dbraw/zinc/76/16/62/546761662.db2.gz CMQROJJTJHOTBL-TXJVSEOTSA-N 2 1 322.456 3.038 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413942568 546780082 /nfs/dbraw/zinc/78/00/82/546780082.db2.gz WVICAHPQVOKKMG-CQSZACIVSA-N 2 1 321.440 3.090 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000414181123 546781076 /nfs/dbraw/zinc/78/10/76/546781076.db2.gz LTYVNZUFRLNQRY-AKHDSKFASA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000414181123 546781083 /nfs/dbraw/zinc/78/10/83/546781083.db2.gz LTYVNZUFRLNQRY-AKHDSKFASA-N 2 1 314.473 3.369 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414187167 546781211 /nfs/dbraw/zinc/78/12/11/546781211.db2.gz QFTJAEPVBXLXLJ-JWHDQAAXSA-N 2 1 302.462 3.369 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414187167 546781214 /nfs/dbraw/zinc/78/12/14/546781214.db2.gz QFTJAEPVBXLXLJ-JWHDQAAXSA-N 2 1 302.462 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414934697 546790675 /nfs/dbraw/zinc/79/06/75/546790675.db2.gz YCWBNFIOKKJVRA-KGLIPLIRSA-N 2 1 305.422 3.309 20 0 DGADMP CCCOc1ccccc1Oc1ncccc1C[NH2+]CCC[NH3+] ZINC000415090421 546792944 /nfs/dbraw/zinc/79/29/44/546792944.db2.gz ORVPOYHGMKWPAE-UHFFFAOYSA-N 2 1 315.417 3.101 20 0 DGADMP CC[C@@H]1C[NH+]([C@H](C)CC[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000431593598 546816101 /nfs/dbraw/zinc/81/61/01/546816101.db2.gz AJEMYTNLIPQDCP-BZUAXINKSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2CCS[C@H](CC)C2)CCS1 ZINC000431593598 546816104 /nfs/dbraw/zinc/81/61/04/546816104.db2.gz AJEMYTNLIPQDCP-BZUAXINKSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000431593598 546816110 /nfs/dbraw/zinc/81/61/10/546816110.db2.gz AJEMYTNLIPQDCP-BZUAXINKSA-N 2 1 316.580 3.420 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000446773435 546840505 /nfs/dbraw/zinc/84/05/05/546840505.db2.gz AAOVESBWUBTCFW-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000446773435 546840507 /nfs/dbraw/zinc/84/05/07/546840507.db2.gz AAOVESBWUBTCFW-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446773435 546840512 /nfs/dbraw/zinc/84/05/12/546840512.db2.gz AAOVESBWUBTCFW-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453340230 546859818 /nfs/dbraw/zinc/85/98/18/546859818.db2.gz BRELCWDHRYTMPP-PIKADFDJSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453340230 546859824 /nfs/dbraw/zinc/85/98/24/546859824.db2.gz BRELCWDHRYTMPP-PIKADFDJSA-N 2 1 302.462 3.225 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551175892 546996788 /nfs/dbraw/zinc/99/67/88/546996788.db2.gz NQGMJGPULWTMLX-QHAWAJNXSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551175892 546996793 /nfs/dbraw/zinc/99/67/93/546996793.db2.gz NQGMJGPULWTMLX-QHAWAJNXSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@H]1c1ccccc1 ZINC000556193975 546999522 /nfs/dbraw/zinc/99/95/22/546999522.db2.gz RMEBFUZGDTUPPX-HNJRGHQBSA-N 2 1 316.489 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@H]1c1ccccc1 ZINC000556193975 546999527 /nfs/dbraw/zinc/99/95/27/546999527.db2.gz RMEBFUZGDTUPPX-HNJRGHQBSA-N 2 1 316.489 3.210 20 0 DGADMP Fc1ccc([C@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667620690 547246293 /nfs/dbraw/zinc/24/62/93/547246293.db2.gz KYITZWXWUHGBIO-INIZCTEOSA-N 2 1 322.387 3.396 20 0 DGADMP Fc1ccc([C@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667620690 547246297 /nfs/dbraw/zinc/24/62/97/547246297.db2.gz KYITZWXWUHGBIO-INIZCTEOSA-N 2 1 322.387 3.396 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666620 547265713 /nfs/dbraw/zinc/26/57/13/547265713.db2.gz SLKSEJYSSFDEDW-BXUZGUMPSA-N 2 1 300.368 3.266 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C)n2C)CC1)CC1CC1 ZINC000667757588 547294382 /nfs/dbraw/zinc/29/43/82/547294382.db2.gz FGPRXUDQSXUZGY-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667910736 547332401 /nfs/dbraw/zinc/33/24/01/547332401.db2.gz XQDGSZHJLFTRJB-IRWQIABSSA-N 2 1 311.429 3.399 20 0 DGADMP CCCOc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(C)c1 ZINC000667947340 547342662 /nfs/dbraw/zinc/34/26/62/547342662.db2.gz NFCBYQJBWFOBQD-QFBILLFUSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(C)c1 ZINC000667947340 547342664 /nfs/dbraw/zinc/34/26/64/547342664.db2.gz NFCBYQJBWFOBQD-QFBILLFUSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc2c(c1)CCN(Cc1ccnn1-c1ccncc1)C2 ZINC000668052263 547369316 /nfs/dbraw/zinc/36/93/16/547369316.db2.gz LYQRWZCIIWBVDU-UHFFFAOYSA-N 2 1 304.397 3.134 20 0 DGADMP FC(F)(F)[C@H]1CCN(Cc2cnc3n2CCC3)CC12CCC2 ZINC000668110863 547387157 /nfs/dbraw/zinc/38/71/57/547387157.db2.gz TXLPWTMSLHKWDW-ZDUSSCGKSA-N 2 1 313.367 3.384 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000668146398 547393712 /nfs/dbraw/zinc/39/37/12/547393712.db2.gz GIRXIBIQGUMDEK-JWTNVVGKSA-N 2 1 302.462 3.451 20 0 DGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000668146398 547393715 /nfs/dbraw/zinc/39/37/15/547393715.db2.gz GIRXIBIQGUMDEK-JWTNVVGKSA-N 2 1 302.462 3.451 20 0 DGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000668146398 547393716 /nfs/dbraw/zinc/39/37/16/547393716.db2.gz GIRXIBIQGUMDEK-JWTNVVGKSA-N 2 1 302.462 3.451 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668167107 547400082 /nfs/dbraw/zinc/40/00/82/547400082.db2.gz STUAYLMNYARCIV-UHFFFAOYSA-N 2 1 317.408 3.394 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668167107 547400085 /nfs/dbraw/zinc/40/00/85/547400085.db2.gz STUAYLMNYARCIV-UHFFFAOYSA-N 2 1 317.408 3.394 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000668172406 547402759 /nfs/dbraw/zinc/40/27/59/547402759.db2.gz MZJXTHNRCSABGD-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)c1 ZINC000668172406 547402763 /nfs/dbraw/zinc/40/27/63/547402763.db2.gz MZJXTHNRCSABGD-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)c1 ZINC000668172406 547402769 /nfs/dbraw/zinc/40/27/69/547402769.db2.gz MZJXTHNRCSABGD-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000668172405 547403170 /nfs/dbraw/zinc/40/31/70/547403170.db2.gz MZJXTHNRCSABGD-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)c1 ZINC000668172405 547403172 /nfs/dbraw/zinc/40/31/72/547403172.db2.gz MZJXTHNRCSABGD-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1 ZINC000668172405 547403174 /nfs/dbraw/zinc/40/31/74/547403174.db2.gz MZJXTHNRCSABGD-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194243 547411332 /nfs/dbraw/zinc/41/13/32/547411332.db2.gz BUJUKZSJSUIYOT-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194243 547411337 /nfs/dbraw/zinc/41/13/37/547411337.db2.gz BUJUKZSJSUIYOT-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194243 547411342 /nfs/dbraw/zinc/41/13/42/547411342.db2.gz BUJUKZSJSUIYOT-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194243 547411345 /nfs/dbraw/zinc/41/13/45/547411345.db2.gz BUJUKZSJSUIYOT-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668595876 547488089 /nfs/dbraw/zinc/48/80/89/547488089.db2.gz BMHIHBRGPXMXDB-UYAOXDASSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668595876 547488095 /nfs/dbraw/zinc/48/80/95/547488095.db2.gz BMHIHBRGPXMXDB-UYAOXDASSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668595876 547488097 /nfs/dbraw/zinc/48/80/97/547488097.db2.gz BMHIHBRGPXMXDB-UYAOXDASSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668595876 547488102 /nfs/dbraw/zinc/48/81/02/547488102.db2.gz BMHIHBRGPXMXDB-UYAOXDASSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)=CCC[C@H](C)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740757 547526687 /nfs/dbraw/zinc/52/66/87/547526687.db2.gz XFPJXOZGVQQKFL-HKUYNNGSSA-N 2 1 308.510 3.290 20 0 DGADMP CCCc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668784868 547540962 /nfs/dbraw/zinc/54/09/62/547540962.db2.gz JRROZQGPIZNVIN-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CCCc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668784868 547540968 /nfs/dbraw/zinc/54/09/68/547540968.db2.gz JRROZQGPIZNVIN-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP c1ccc(N2CC[NH+](CCC[NH+]3CCC4(CC4)CC3)CC2)cc1 ZINC000671685421 547808990 /nfs/dbraw/zinc/80/89/90/547808990.db2.gz NDRMJTUYBDAMDV-UHFFFAOYSA-N 2 1 313.489 3.075 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713522 547985523 /nfs/dbraw/zinc/98/55/23/547985523.db2.gz GEWPSMQUEVIXJL-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713522 547985528 /nfs/dbraw/zinc/98/55/28/547985528.db2.gz GEWPSMQUEVIXJL-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713522 547985531 /nfs/dbraw/zinc/98/55/31/547985531.db2.gz GEWPSMQUEVIXJL-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713522 547985533 /nfs/dbraw/zinc/98/55/33/547985533.db2.gz GEWPSMQUEVIXJL-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881448 548283275 /nfs/dbraw/zinc/28/32/75/548283275.db2.gz LIXKNPIWPUWJIE-UYAOXDASSA-N 2 1 314.473 3.215 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882948 548284791 /nfs/dbraw/zinc/28/47/91/548284791.db2.gz VSAXDAUOIHCWAU-HKUYNNGSSA-N 2 1 318.436 3.046 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000675897717 548287296 /nfs/dbraw/zinc/28/72/96/548287296.db2.gz VCRNBPQGZCYMIG-HKUYNNGSSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000675897717 548287302 /nfs/dbraw/zinc/28/73/02/548287302.db2.gz VCRNBPQGZCYMIG-HKUYNNGSSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000675897717 548287306 /nfs/dbraw/zinc/28/73/06/548287306.db2.gz VCRNBPQGZCYMIG-HKUYNNGSSA-N 2 1 302.462 3.098 20 0 DGADMP c1ccc2cc(OCC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000677236898 548472706 /nfs/dbraw/zinc/47/27/06/548472706.db2.gz VZXSZOIKLIVFEX-MOPGFXCFSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@H+]1C ZINC000677749618 548550599 /nfs/dbraw/zinc/55/05/99/548550599.db2.gz LNFABROIWMGBPY-NEWSRXKRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749618 548550602 /nfs/dbraw/zinc/55/06/02/548550602.db2.gz LNFABROIWMGBPY-NEWSRXKRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749618 548550605 /nfs/dbraw/zinc/55/06/05/548550605.db2.gz LNFABROIWMGBPY-NEWSRXKRSA-N 2 1 315.505 3.112 20 0 DGADMP CC1(C)C[C@H](NCC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000677804452 548558136 /nfs/dbraw/zinc/55/81/36/548558136.db2.gz GMKZYYTULVZILX-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP CC1(C)C[C@H](NCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000677804452 548558139 /nfs/dbraw/zinc/55/81/39/548558139.db2.gz GMKZYYTULVZILX-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP CC1(C)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678260405 548659786 /nfs/dbraw/zinc/65/97/86/548659786.db2.gz GVUXXQDFFYNHMY-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1CSCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678268342 548662178 /nfs/dbraw/zinc/66/21/78/548662178.db2.gz YGJFGYFVTMMFKB-MRXNPFEDSA-N 2 1 320.502 3.099 20 0 DGADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678342708 548683279 /nfs/dbraw/zinc/68/32/79/548683279.db2.gz DLRJVNVHDRZAHW-OKILXGFUSA-N 2 1 300.377 3.045 20 0 DGADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678342708 548683282 /nfs/dbraw/zinc/68/32/82/548683282.db2.gz DLRJVNVHDRZAHW-OKILXGFUSA-N 2 1 300.377 3.045 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2Cl)[C@H](C)C1 ZINC000678596827 548736652 /nfs/dbraw/zinc/73/66/52/548736652.db2.gz RLBNFTLHODTJHV-XOKHGSTOSA-N 2 1 310.869 3.347 20 0 DGADMP CCc1noc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC000678634052 548744593 /nfs/dbraw/zinc/74/45/93/548744593.db2.gz AUQRNWVHNYXRQE-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP CCc1noc(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)n1 ZINC000678634052 548744597 /nfs/dbraw/zinc/74/45/97/548744597.db2.gz AUQRNWVHNYXRQE-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000679333652 548879520 /nfs/dbraw/zinc/87/95/20/548879520.db2.gz AELMOFATRHJLLX-KRWDZBQOSA-N 2 1 304.478 3.100 20 0 DGADMP C[C@H](CCCCO)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000679357062 548885094 /nfs/dbraw/zinc/88/50/94/548885094.db2.gz UXUBRPRGLUBDMC-HBFSDRIKSA-N 2 1 318.505 3.428 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000679727984 548945718 /nfs/dbraw/zinc/94/57/18/548945718.db2.gz TWEFEQFJCRAKAS-RTBURBONSA-N 2 1 308.425 3.013 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3cnccc32)C1 ZINC000679990385 548976036 /nfs/dbraw/zinc/97/60/36/548976036.db2.gz PACQLWRFANPZOM-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000679990385 548976040 /nfs/dbraw/zinc/97/60/40/548976040.db2.gz PACQLWRFANPZOM-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000679990385 548976045 /nfs/dbraw/zinc/97/60/45/548976045.db2.gz PACQLWRFANPZOM-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000680328221 549028030 /nfs/dbraw/zinc/02/80/30/549028030.db2.gz BOKZNGQONUODSI-HNNXBMFYSA-N 2 1 308.385 3.158 20 0 DGADMP C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680477281 549058166 /nfs/dbraw/zinc/05/81/66/549058166.db2.gz XZFHTXWUEZBHNF-MRXNPFEDSA-N 2 1 313.445 3.215 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000681089676 549158147 /nfs/dbraw/zinc/15/81/47/549158147.db2.gz SDUVKHPIMFZDDP-CQSZACIVSA-N 2 1 317.408 3.443 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076641 549286030 /nfs/dbraw/zinc/28/60/30/549286030.db2.gz VCQKUGAUQIRUJQ-IEBWSBKVSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3ccccc3[nH]2)C[C@H](C)O1 ZINC000683927071 549557884 /nfs/dbraw/zinc/55/78/84/549557884.db2.gz QADKQTGOYSDUEP-IYBDPMFKSA-N 2 1 315.461 3.147 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000684373242 549621801 /nfs/dbraw/zinc/62/18/01/549621801.db2.gz PYXWWPRDLGRTCS-JKSUJKDBSA-N 2 1 317.408 3.367 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000684373238 549621813 /nfs/dbraw/zinc/62/18/13/549621813.db2.gz PYXWWPRDLGRTCS-HOTGVXAUSA-N 2 1 317.408 3.367 20 0 DGADMP COc1ccccc1/C=C\CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443842 549761592 /nfs/dbraw/zinc/76/15/92/549761592.db2.gz ZURVZVFUVQAHOO-TVGOIXSDSA-N 2 1 300.446 3.265 20 0 DGADMP COc1ccccc1/C=C\C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443842 549761596 /nfs/dbraw/zinc/76/15/96/549761596.db2.gz ZURVZVFUVQAHOO-TVGOIXSDSA-N 2 1 300.446 3.265 20 0 DGADMP COc1ccccc1/C=C\C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443842 549761598 /nfs/dbraw/zinc/76/15/98/549761598.db2.gz ZURVZVFUVQAHOO-TVGOIXSDSA-N 2 1 300.446 3.265 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000685462854 549765301 /nfs/dbraw/zinc/76/53/01/549765301.db2.gz UUMBOAUKSWRXRB-MSOLQXFVSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4cnccc43)C2)CC1 ZINC000685463146 549765541 /nfs/dbraw/zinc/76/55/41/549765541.db2.gz REGUVSPGQULZMZ-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000685568273 549775916 /nfs/dbraw/zinc/77/59/16/549775916.db2.gz QMFQGXYEIPFGLQ-GOSISDBHSA-N 2 1 304.478 3.090 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000685568273 549775918 /nfs/dbraw/zinc/77/59/18/549775918.db2.gz QMFQGXYEIPFGLQ-GOSISDBHSA-N 2 1 304.478 3.090 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665187 549787345 /nfs/dbraw/zinc/78/73/45/549787345.db2.gz IFQFYVOKFBOFSK-ICSRJNTNSA-N 2 1 318.505 3.429 20 0 DGADMP c1cn([C@H]2CCC[N@@H+](Cn3ccc(-c4ccsc4)n3)C2)cn1 ZINC000738159246 574860083 /nfs/dbraw/zinc/86/00/83/574860083.db2.gz RHPIZOKYOMUHCJ-HNNXBMFYSA-N 2 1 313.430 3.103 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cn3ccc(-c4ccsc4)n3)C2)cn1 ZINC000738159246 574860084 /nfs/dbraw/zinc/86/00/84/574860084.db2.gz RHPIZOKYOMUHCJ-HNNXBMFYSA-N 2 1 313.430 3.103 20 0 DGADMP C[C@@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@@H]1C ZINC000738340788 574866535 /nfs/dbraw/zinc/86/65/35/574866535.db2.gz OYIJUINNAPARSO-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1CSCC[N@H+]1CCCCCC[NH+]1CCSC[C@@H]1C ZINC000738340788 574866536 /nfs/dbraw/zinc/86/65/36/574866536.db2.gz OYIJUINNAPARSO-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1CSCC[N@@H+]1CCCCCC[NH+]1CCSC[C@@H]1C ZINC000738340788 574866537 /nfs/dbraw/zinc/86/65/37/574866537.db2.gz OYIJUINNAPARSO-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC[N@H+]1C ZINC000742375839 574993952 /nfs/dbraw/zinc/99/39/52/574993952.db2.gz WHFIOBKRFKWZPZ-RHSMWYFYSA-N 2 1 302.462 3.363 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000743851039 575065415 /nfs/dbraw/zinc/06/54/15/575065415.db2.gz IAOTYZWKWLWYLX-UXHICEINSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000743851039 575065416 /nfs/dbraw/zinc/06/54/16/575065416.db2.gz IAOTYZWKWLWYLX-UXHICEINSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000743857155 575066257 /nfs/dbraw/zinc/06/62/57/575066257.db2.gz OFVVLOBSNXPFRJ-SLFFLAALSA-N 2 1 316.489 3.020 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000743857155 575066261 /nfs/dbraw/zinc/06/62/61/575066261.db2.gz OFVVLOBSNXPFRJ-SLFFLAALSA-N 2 1 316.489 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000729354564 575238157 /nfs/dbraw/zinc/23/81/57/575238157.db2.gz PZZOEWVHBWUHOS-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)oc21 ZINC000729681127 575259928 /nfs/dbraw/zinc/25/99/28/575259928.db2.gz BSJOCAKIZMNQQO-CYBMUJFWSA-N 2 1 313.401 3.372 20 0 DGADMP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](CC)c1ccccc1 ZINC000746653244 575466509 /nfs/dbraw/zinc/46/65/09/575466509.db2.gz SBFAGTUGIAPOLN-RTBURBONSA-N 2 1 304.478 3.306 20 0 DGADMP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](CC)c1ccccc1 ZINC000746653244 575466513 /nfs/dbraw/zinc/46/65/13/575466513.db2.gz SBFAGTUGIAPOLN-RTBURBONSA-N 2 1 304.478 3.306 20 0 DGADMP CCCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC000746659358 575467770 /nfs/dbraw/zinc/46/77/70/575467770.db2.gz NXOIWRVLMIANEF-PKOBYXMFSA-N 2 1 304.478 3.306 20 0 DGADMP CCCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC000746659358 575467771 /nfs/dbraw/zinc/46/77/71/575467771.db2.gz NXOIWRVLMIANEF-PKOBYXMFSA-N 2 1 304.478 3.306 20 0 DGADMP O[C@H](C[N@H+](Cc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000747683114 575532366 /nfs/dbraw/zinc/53/23/66/575532366.db2.gz RNLHVWBNESLMMV-IBGZPJMESA-N 2 1 320.452 3.027 20 0 DGADMP O[C@H](C[N@@H+](Cc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000747683114 575532369 /nfs/dbraw/zinc/53/23/69/575532369.db2.gz RNLHVWBNESLMMV-IBGZPJMESA-N 2 1 320.452 3.027 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393661872 575913636 /nfs/dbraw/zinc/91/36/36/575913636.db2.gz RZLRTGOAJRCTAE-IPMKNSEASA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000398063725 575959961 /nfs/dbraw/zinc/95/99/61/575959961.db2.gz XFUOHTBIRUUNLK-OXJNMPFZSA-N 2 1 309.457 3.390 20 0 DGADMP [NH3+]CCCCCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000852759610 620646676 /nfs/dbraw/zinc/64/66/76/620646676.db2.gz QTFCXIQPLOVLAR-UHFFFAOYSA-N 2 1 317.296 3.388 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000852759610 620646677 /nfs/dbraw/zinc/64/66/77/620646677.db2.gz QTFCXIQPLOVLAR-UHFFFAOYSA-N 2 1 317.296 3.388 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000917394677 620666863 /nfs/dbraw/zinc/66/68/63/620666863.db2.gz NMBYNCIFBXYYEV-UHFFFAOYSA-N 2 1 312.457 3.412 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106833 617964310 /nfs/dbraw/zinc/96/43/10/617964310.db2.gz YBZAPLCOLXCAGO-KSSFIOAISA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106833 617964314 /nfs/dbraw/zinc/96/43/14/617964314.db2.gz YBZAPLCOLXCAGO-KSSFIOAISA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106833 617964315 /nfs/dbraw/zinc/96/43/15/617964315.db2.gz YBZAPLCOLXCAGO-KSSFIOAISA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106833 617964318 /nfs/dbraw/zinc/96/43/18/617964318.db2.gz YBZAPLCOLXCAGO-KSSFIOAISA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106833 617964322 /nfs/dbraw/zinc/96/43/22/617964322.db2.gz YBZAPLCOLXCAGO-KSSFIOAISA-N 2 1 306.498 3.243 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000892186295 617980357 /nfs/dbraw/zinc/98/03/57/617980357.db2.gz YOGKXNRPZLUDHP-HXUWFJFHSA-N 2 1 316.489 3.052 20 0 DGADMP COC1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237440 617992326 /nfs/dbraw/zinc/99/23/26/617992326.db2.gz YXRVYYPZFFXJAN-DHRZBBNESA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237440 617992330 /nfs/dbraw/zinc/99/23/30/617992330.db2.gz YXRVYYPZFFXJAN-DHRZBBNESA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237440 617992332 /nfs/dbraw/zinc/99/23/32/617992332.db2.gz YXRVYYPZFFXJAN-DHRZBBNESA-N 2 1 306.494 3.140 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925474430 620772035 /nfs/dbraw/zinc/77/20/35/620772035.db2.gz RAZNGCKEWLRXQZ-SJORKVTESA-N 2 1 315.461 3.031 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000926698327 618091925 /nfs/dbraw/zinc/09/19/25/618091925.db2.gz AUFAGNNWNYJMAV-RTBURBONSA-N 2 1 302.462 3.265 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000892532236 618100786 /nfs/dbraw/zinc/10/07/86/618100786.db2.gz LYEAGITZUJXLAS-UHFFFAOYSA-N 2 1 306.498 3.291 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000892583775 618112625 /nfs/dbraw/zinc/11/26/25/618112625.db2.gz DXZSJOFUXXXTOY-ILXRZTDVSA-N 2 1 317.315 3.262 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892583332 618112715 /nfs/dbraw/zinc/11/27/15/618112715.db2.gz CEVIUASCYHMAMW-HNNXBMFYSA-N 2 1 304.482 3.042 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000892704408 618143161 /nfs/dbraw/zinc/14/31/61/618143161.db2.gz RKMNULWMCSMEHK-AWEZNQCLSA-N 2 1 316.836 3.028 20 0 DGADMP CC1(O)CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000892737363 618151336 /nfs/dbraw/zinc/15/13/36/618151336.db2.gz CHANHYMEWYGEKF-HJOIGYKYSA-N 2 1 322.518 3.243 20 0 DGADMP CC1(O)CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000892737363 618151339 /nfs/dbraw/zinc/15/13/39/618151339.db2.gz CHANHYMEWYGEKF-HJOIGYKYSA-N 2 1 322.518 3.243 20 0 DGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)CN1CCCC1 ZINC000920096502 620782794 /nfs/dbraw/zinc/78/27/94/620782794.db2.gz YKZQZCKHQDHGTB-HXUWFJFHSA-N 2 1 312.457 3.118 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)CN1CCCC1 ZINC000920096502 620782795 /nfs/dbraw/zinc/78/27/95/620782795.db2.gz YKZQZCKHQDHGTB-HXUWFJFHSA-N 2 1 312.457 3.118 20 0 DGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000920096502 620782796 /nfs/dbraw/zinc/78/27/96/620782796.db2.gz YKZQZCKHQDHGTB-HXUWFJFHSA-N 2 1 312.457 3.118 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000920096502 620782797 /nfs/dbraw/zinc/78/27/97/620782797.db2.gz YKZQZCKHQDHGTB-HXUWFJFHSA-N 2 1 312.457 3.118 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000854222574 620785810 /nfs/dbraw/zinc/78/58/10/620785810.db2.gz IWNOHCBYXMAIIA-HAGHYFMRSA-N 2 1 314.473 3.309 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](c2ccsc2)N(C)C)CC1 ZINC000924604506 618309689 /nfs/dbraw/zinc/30/96/89/618309689.db2.gz ULFQPYBCBNPCFZ-SFHVURJKSA-N 2 1 323.550 3.451 20 0 DGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000894451148 618336873 /nfs/dbraw/zinc/33/68/73/618336873.db2.gz CXUPIJHSGGMDJE-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP C[N@H+]1CC[C@@H](Nc2cc(N)[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000893009114 618387792 /nfs/dbraw/zinc/38/77/92/618387792.db2.gz PPPCOLCXQGSLJX-CZUORRHYSA-N 2 1 302.809 3.175 20 0 DGADMP Cc1n[nH]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747538 618443295 /nfs/dbraw/zinc/44/32/95/618443295.db2.gz KEWIKZYLZCSJPR-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1[nH]nc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747538 618443300 /nfs/dbraw/zinc/44/33/00/618443300.db2.gz KEWIKZYLZCSJPR-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1[nH]nc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747538 618443301 /nfs/dbraw/zinc/44/33/01/618443301.db2.gz KEWIKZYLZCSJPR-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP C[NH+](C)C1(CN[C@@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925510112 618443988 /nfs/dbraw/zinc/44/39/88/618443988.db2.gz RWJGJCAWDXCWPK-SFHVURJKSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000925521394 618456762 /nfs/dbraw/zinc/45/67/62/618456762.db2.gz UGSQGEAPFYVOOW-CZUORRHYSA-N 2 1 301.459 3.083 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000925080144 618466573 /nfs/dbraw/zinc/46/65/73/618466573.db2.gz RAHAKUYMUFYOJT-RCJHGTSTSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925554317 618491041 /nfs/dbraw/zinc/49/10/41/618491041.db2.gz XYDNFKKNGAFJFR-YZGWKJHDSA-N 3 1 321.553 3.256 20 0 DGADMP CC1CC[NH+](C2CCC(N[C@H]3CC[NH2+]C34CCCC4)CC2)CC1 ZINC000925607418 618506826 /nfs/dbraw/zinc/50/68/26/618506826.db2.gz PMPWMJQMUGZVSE-ACBHZAAOSA-N 2 1 319.537 3.294 20 0 DGADMP [NH3+]CCC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccccc1 ZINC000925663143 618523293 /nfs/dbraw/zinc/52/32/93/618523293.db2.gz PPIJFDOSOOJRCO-CTWPCTMYSA-N 2 1 301.478 3.073 20 0 DGADMP [NH3+]CCC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000925663143 618523296 /nfs/dbraw/zinc/52/32/96/618523296.db2.gz PPIJFDOSOOJRCO-CTWPCTMYSA-N 3 1 301.478 3.073 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC1 ZINC000895187290 618569723 /nfs/dbraw/zinc/56/97/23/618569723.db2.gz PUMGSKJNBVBYMA-UFYCRDLUSA-N 2 1 314.473 3.323 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294082 618589365 /nfs/dbraw/zinc/58/93/65/618589365.db2.gz OQZSAQDBHHYBDV-OAHLLOKOSA-N 2 1 313.445 3.187 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1OC(F)F ZINC000895299277 618590116 /nfs/dbraw/zinc/59/01/16/618590116.db2.gz HKKXWWGMRUNDOW-LBPRGKRZSA-N 2 1 316.392 3.117 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000925774986 618615527 /nfs/dbraw/zinc/61/55/27/618615527.db2.gz BHUVJZSMJHGDJC-ZYHUDNBSSA-N 2 1 318.408 3.443 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780585 618618125 /nfs/dbraw/zinc/61/81/25/618618125.db2.gz FUSAPXTUVHLLFT-UKRRQHHQSA-N 2 1 310.388 3.043 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780586 618618131 /nfs/dbraw/zinc/61/81/31/618618131.db2.gz FUSAPXTUVHLLFT-ZFWWWQNUSA-N 2 1 310.388 3.043 20 0 DGADMP N[C@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806603 618624045 /nfs/dbraw/zinc/62/40/45/618624045.db2.gz FXKGQBPIWQWWEV-RBUKOAKNSA-N 2 1 301.478 3.281 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000925806587 618624231 /nfs/dbraw/zinc/62/42/31/618624231.db2.gz FTNCWJRUFQQAGH-QYZOEREBSA-N 3 1 307.526 3.009 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000925806587 618624232 /nfs/dbraw/zinc/62/42/32/618624232.db2.gz FTNCWJRUFQQAGH-QYZOEREBSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)c2sccc21 ZINC000925848063 618645665 /nfs/dbraw/zinc/64/56/65/618645665.db2.gz ZIXTVSOUHBVPIO-NVXWUHKLSA-N 2 1 321.534 3.352 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3([C@H]4CCCCO4)CC3)CC[NH2+]2)cc1 ZINC000925892599 618653801 /nfs/dbraw/zinc/65/38/01/618653801.db2.gz CBJNAHKIVFAKFF-OKZBNKHCSA-N 2 1 300.446 3.171 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893860875 618667569 /nfs/dbraw/zinc/66/75/69/618667569.db2.gz XZGXSIVVLYGXNR-KDOFPFPSSA-N 2 1 322.880 3.444 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000893860875 618667573 /nfs/dbraw/zinc/66/75/73/618667573.db2.gz XZGXSIVVLYGXNR-KDOFPFPSSA-N 2 1 322.880 3.444 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)CCCN2 ZINC000894040685 618698110 /nfs/dbraw/zinc/69/81/10/618698110.db2.gz UYWCZKMGDMNGQT-LJQANCHMSA-N 2 1 313.489 3.495 20 0 DGADMP FC(F)COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000894043380 618698576 /nfs/dbraw/zinc/69/85/76/618698576.db2.gz SKXODKZGDIFVAX-HNNXBMFYSA-N 2 1 324.415 3.248 20 0 DGADMP FC(F)COc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000894043380 618698578 /nfs/dbraw/zinc/69/85/78/618698578.db2.gz SKXODKZGDIFVAX-HNNXBMFYSA-N 2 1 324.415 3.248 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894058407 618701905 /nfs/dbraw/zinc/70/19/05/618701905.db2.gz TYYVHUBMNLMUDI-MRXNPFEDSA-N 2 1 301.478 3.208 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894058407 618701906 /nfs/dbraw/zinc/70/19/06/618701906.db2.gz TYYVHUBMNLMUDI-MRXNPFEDSA-N 2 1 301.478 3.208 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961620 618750574 /nfs/dbraw/zinc/75/05/74/618750574.db2.gz WRXPOXYHDVGRGI-JKSUJKDBSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961620 618750575 /nfs/dbraw/zinc/75/05/75/618750575.db2.gz WRXPOXYHDVGRGI-JKSUJKDBSA-N 2 1 304.482 3.379 20 0 DGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)C1CCCC1 ZINC000924968771 618753105 /nfs/dbraw/zinc/75/31/05/618753105.db2.gz FFPMEYKTYBWSEN-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)C1CCCC1 ZINC000924968771 618753107 /nfs/dbraw/zinc/75/31/07/618753107.db2.gz FFPMEYKTYBWSEN-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP Oc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000895479335 618789794 /nfs/dbraw/zinc/78/97/94/618789794.db2.gz PDHMHDJIVPUAIN-CQSZACIVSA-N 2 1 308.853 3.257 20 0 DGADMP Oc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000895479335 618789796 /nfs/dbraw/zinc/78/97/96/618789796.db2.gz PDHMHDJIVPUAIN-CQSZACIVSA-N 2 1 308.853 3.257 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1c1cc[nH+]cc1 ZINC000895558742 618799098 /nfs/dbraw/zinc/79/90/98/618799098.db2.gz ZTHCYAMTQOOYOO-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP COc1cncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1C ZINC000895682488 618817934 /nfs/dbraw/zinc/81/79/34/618817934.db2.gz FKBSBEGSRUTZCA-UHFFFAOYSA-N 2 1 305.466 3.097 20 0 DGADMP COC(OC)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000895789283 618831032 /nfs/dbraw/zinc/83/10/32/618831032.db2.gz JGZKUTCWRFAYLQ-AWEZNQCLSA-N 2 1 314.514 3.263 20 0 DGADMP CC(C)C[N@H+](Cc1cn(C)nc1C1CC1)CC1CC[NH+](C)CC1 ZINC000895861102 618840596 /nfs/dbraw/zinc/84/05/96/618840596.db2.gz MUVNXCKBFLNPRO-UHFFFAOYSA-N 2 1 318.509 3.097 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)nc1 ZINC000895942328 618853041 /nfs/dbraw/zinc/85/30/41/618853041.db2.gz HZMJMBZTJKESKG-HLVVYCRESA-N 2 1 313.367 3.376 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)nc1 ZINC000895942328 618853042 /nfs/dbraw/zinc/85/30/42/618853042.db2.gz HZMJMBZTJKESKG-HLVVYCRESA-N 2 1 313.367 3.376 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1C[C@@]1(C)Br ZINC000896028658 618864890 /nfs/dbraw/zinc/86/48/90/618864890.db2.gz UUWFEQRCDAEEFG-HUUCEWRRSA-N 2 1 317.315 3.358 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000925186595 619069543 /nfs/dbraw/zinc/06/95/43/619069543.db2.gz XLXDVYFDBGKAPK-YOFSQIOKSA-N 2 1 307.441 3.178 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@]2(C)C1 ZINC000897621671 619167637 /nfs/dbraw/zinc/16/76/37/619167637.db2.gz NATKRCLKTTVAAA-QUCCMNQESA-N 2 1 307.441 3.132 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@]2(C)C1 ZINC000897621671 619167639 /nfs/dbraw/zinc/16/76/39/619167639.db2.gz NATKRCLKTTVAAA-QUCCMNQESA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@]2(C)C1 ZINC000897621671 619167640 /nfs/dbraw/zinc/16/76/40/619167640.db2.gz NATKRCLKTTVAAA-QUCCMNQESA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@]2(C)C1 ZINC000897621671 619167642 /nfs/dbraw/zinc/16/76/42/619167642.db2.gz NATKRCLKTTVAAA-QUCCMNQESA-N 2 1 307.441 3.132 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620478 619168341 /nfs/dbraw/zinc/16/83/41/619168341.db2.gz POZAANMVDDUWNV-OEJUCYGMSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620478 619168343 /nfs/dbraw/zinc/16/83/43/619168343.db2.gz POZAANMVDDUWNV-OEJUCYGMSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897620478 619168345 /nfs/dbraw/zinc/16/83/45/619168345.db2.gz POZAANMVDDUWNV-OEJUCYGMSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897620478 619168347 /nfs/dbraw/zinc/16/83/47/619168347.db2.gz POZAANMVDDUWNV-OEJUCYGMSA-N 2 1 314.473 3.120 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298562 619234286 /nfs/dbraw/zinc/23/42/86/619234286.db2.gz OYMVVZRXLPSSDL-QGZVFWFLSA-N 2 1 324.428 3.058 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927020889 619257407 /nfs/dbraw/zinc/25/74/07/619257407.db2.gz ZVWACXXKYAMSSX-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCOCC4)C[C@@H]3C2)cc1 ZINC000898522008 619284062 /nfs/dbraw/zinc/28/40/62/619284062.db2.gz IAUXPBZXYBXPGR-NLWGTHIKSA-N 2 1 314.473 3.056 20 0 DGADMP CC[NH+](CC)CCOc1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000898704699 619291443 /nfs/dbraw/zinc/29/14/43/619291443.db2.gz ZHBGTKKXEVOTIN-AEFFLSMTSA-N 2 1 319.493 3.302 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902340637 619618709 /nfs/dbraw/zinc/61/87/09/619618709.db2.gz YVRPLPPRBMTDEM-LJQANCHMSA-N 2 1 317.521 3.395 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902340637 619618711 /nfs/dbraw/zinc/61/87/11/619618711.db2.gz YVRPLPPRBMTDEM-LJQANCHMSA-N 2 1 317.521 3.395 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902340637 619618712 /nfs/dbraw/zinc/61/87/12/619618712.db2.gz YVRPLPPRBMTDEM-LJQANCHMSA-N 2 1 317.521 3.395 20 0 DGADMP CCc1cc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)on1 ZINC000902325877 619620846 /nfs/dbraw/zinc/62/08/46/619620846.db2.gz AIXPYQHCLFAZLA-KRWDZBQOSA-N 2 1 323.387 3.475 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000902374925 619624792 /nfs/dbraw/zinc/62/47/92/619624792.db2.gz RVYTVUVZZJNQEM-JQHSSLGASA-N 2 1 303.494 3.046 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000902406630 619627818 /nfs/dbraw/zinc/62/78/18/619627818.db2.gz OPPUCVLDXOJZGE-GFCCVEGCSA-N 2 1 316.367 3.295 20 0 DGADMP CCn1nccc1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394693 619630882 /nfs/dbraw/zinc/63/08/82/619630882.db2.gz AIEXZKOPJPGRJH-QGZVFWFLSA-N 2 1 322.403 3.141 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902400941 619631830 /nfs/dbraw/zinc/63/18/30/619631830.db2.gz XVGGFWVTPDTVKD-IAGOWNOFSA-N 2 1 313.436 3.098 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902437428 619636078 /nfs/dbraw/zinc/63/60/78/619636078.db2.gz HTZZBPKUMKJUKO-ZQYQINFJSA-N 2 1 321.468 3.036 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000902413268 619637705 /nfs/dbraw/zinc/63/77/05/619637705.db2.gz JPHCLGCEIJIOIX-SNVBAGLBSA-N 2 1 304.381 3.483 20 0 DGADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1F ZINC000902479032 619639024 /nfs/dbraw/zinc/63/90/24/619639024.db2.gz ZTRBQPCPMCUWOM-HUMVNOLHSA-N 2 1 318.436 3.343 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC(C)C ZINC000902740678 619665617 /nfs/dbraw/zinc/66/56/17/619665617.db2.gz ZQOZLCGRAZSLIB-XREYTECCSA-N 2 1 308.510 3.146 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cn1 ZINC000902754344 619670734 /nfs/dbraw/zinc/67/07/34/619670734.db2.gz ABACAFCPBPOQPV-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902761561 619672050 /nfs/dbraw/zinc/67/20/50/619672050.db2.gz SKFZAFLUYJMOSX-QRQLOZEOSA-N 2 1 308.510 3.293 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000902806901 619675961 /nfs/dbraw/zinc/67/59/61/619675961.db2.gz QEJTZWOWCBMZIN-DWRORGKVSA-N 2 1 308.510 3.292 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCc1ccccc1)c1cccnc1 ZINC000902958719 619697742 /nfs/dbraw/zinc/69/77/42/619697742.db2.gz RPBSVIGGOYCKKM-FQEVSTJZSA-N 2 1 320.440 3.321 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCc1cccnc1)c1ccccc1 ZINC000902958856 619697755 /nfs/dbraw/zinc/69/77/55/619697755.db2.gz VUEGOCANTQCVCV-HXUWFJFHSA-N 2 1 320.440 3.321 20 0 DGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000903037514 619705294 /nfs/dbraw/zinc/70/52/94/619705294.db2.gz MBMLAOLUEGRVQO-WTGUMLROSA-N 2 1 316.489 3.269 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903060471 619707993 /nfs/dbraw/zinc/70/79/93/619707993.db2.gz ZKRPBNMJLDSSNT-LJQANCHMSA-N 2 1 320.452 3.367 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)CC1 ZINC000903065077 619709560 /nfs/dbraw/zinc/70/95/60/619709560.db2.gz GMGCYTNQDABZSW-WJFTUGDTSA-N 2 1 309.542 3.064 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903074891 619711361 /nfs/dbraw/zinc/71/13/61/619711361.db2.gz XKZAFPQZGCWXIH-BEFAXECRSA-N 2 1 320.452 3.225 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903068958 619714617 /nfs/dbraw/zinc/71/46/17/619714617.db2.gz AEHGYKOTXKVQKI-BHIYHBOVSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903072298 619715527 /nfs/dbraw/zinc/71/55/27/619715527.db2.gz IGKXXCLTZVNAJU-FCEWJHQRSA-N 2 1 301.478 3.490 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903072298 619715528 /nfs/dbraw/zinc/71/55/28/619715528.db2.gz IGKXXCLTZVNAJU-FCEWJHQRSA-N 2 1 301.478 3.490 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1C ZINC000903096201 619719495 /nfs/dbraw/zinc/71/94/95/619719495.db2.gz ATXVIQBZHGONIG-DZBHQSCQSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(C)C ZINC000903153795 619726071 /nfs/dbraw/zinc/72/60/71/619726071.db2.gz SYKUHBLGTJPBFD-MOUFXGFKSA-N 2 1 306.494 3.326 20 0 DGADMP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCC1 ZINC000903172586 619729968 /nfs/dbraw/zinc/72/99/68/619729968.db2.gz RXXSARLVTWQINA-ZNXRZULTSA-N 2 1 306.494 3.331 20 0 DGADMP CC[C@H](COCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178571 619731056 /nfs/dbraw/zinc/73/10/56/619731056.db2.gz XATOAULSYKTJBW-IKKMQULASA-N 2 1 320.399 3.091 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1([C@H]3CCCCO3)CCC1)C2 ZINC000903211310 619739155 /nfs/dbraw/zinc/73/91/55/619739155.db2.gz AFDSYTBMFGERIG-NXCDMZCRSA-N 2 1 304.478 3.226 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1([C@@H]3CCCCO3)CCC1)C2 ZINC000903211311 619739270 /nfs/dbraw/zinc/73/92/70/619739270.db2.gz AFDSYTBMFGERIG-ONQFOCNCSA-N 2 1 304.478 3.226 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc2O1 ZINC000903223817 619741807 /nfs/dbraw/zinc/74/18/07/619741807.db2.gz LCTKILCWJQLJLZ-HMZLUNFSSA-N 2 1 312.457 3.257 20 0 DGADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000903416834 619773241 /nfs/dbraw/zinc/77/32/41/619773241.db2.gz WIKVVMSLVFZSKC-LAUBAEHRSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000903416834 619773244 /nfs/dbraw/zinc/77/32/44/619773244.db2.gz WIKVVMSLVFZSKC-LAUBAEHRSA-N 2 1 323.484 3.433 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2ccccc2)CC2CCOCC2)C1 ZINC000903438370 619775192 /nfs/dbraw/zinc/77/51/92/619775192.db2.gz UWSVDEMYTTYIQJ-RBUKOAKNSA-N 2 1 302.462 3.043 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C[NH3+] ZINC000903460106 619776760 /nfs/dbraw/zinc/77/67/60/619776760.db2.gz XGDJECYWBQRQIT-MAURAIGZSA-N 2 1 308.416 3.341 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000903458560 619776817 /nfs/dbraw/zinc/77/68/17/619776817.db2.gz DFSHVVCTMUCKAN-OSMZGAPFSA-N 2 1 304.331 3.264 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCc2ccns2)C1)C1CCCC1 ZINC000903482814 619781135 /nfs/dbraw/zinc/78/11/35/619781135.db2.gz UKMYLALCNIRTPP-YOEHRIQHSA-N 2 1 307.507 3.305 20 0 DGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496613 619782520 /nfs/dbraw/zinc/78/25/20/619782520.db2.gz VUCFAWFYRILPSQ-QLFBSQMISA-N 2 1 314.433 3.023 20 0 DGADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCc2ccccc21 ZINC000903719148 619803120 /nfs/dbraw/zinc/80/31/20/619803120.db2.gz WDCAABVMJUTKLK-MJGOQNOKSA-N 2 1 314.473 3.155 20 0 DGADMP C[N@@H+](CCCCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722015 619803552 /nfs/dbraw/zinc/80/35/52/619803552.db2.gz HBBUGMZZNWSHFL-IBGZPJMESA-N 2 1 316.489 3.100 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]2CCCC[C@@H]12 ZINC000903722177 619803603 /nfs/dbraw/zinc/80/36/03/619803603.db2.gz IIYSEUZNMRTZOU-OWSLCNJRSA-N 2 1 306.494 3.046 20 0 DGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722464 619803644 /nfs/dbraw/zinc/80/36/44/619803644.db2.gz BCXWJKYOKMXFML-WBAXXEDZSA-N 2 1 320.864 3.246 20 0 DGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724637 619804134 /nfs/dbraw/zinc/80/41/34/619804134.db2.gz OUVLXEWLSWDRAJ-OKZBNKHCSA-N 2 1 320.864 3.246 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722862 619804267 /nfs/dbraw/zinc/80/42/67/619804267.db2.gz DWAFHIQRJIBPOD-WMLDXEAASA-N 2 1 322.880 3.492 20 0 DGADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724985 619804693 /nfs/dbraw/zinc/80/46/93/619804693.db2.gz UDAJMPFWXMSRNT-ICSRJNTNSA-N 2 1 310.441 3.040 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903725406 619805136 /nfs/dbraw/zinc/80/51/36/619805136.db2.gz ZJBYVGPBKKRXOZ-MOPGFXCFSA-N 2 1 314.473 3.291 20 0 DGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726235 619805139 /nfs/dbraw/zinc/80/51/39/619805139.db2.gz LCINJLLHBDYDMD-PZJWPPBQSA-N 2 1 324.468 3.083 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725157 619805191 /nfs/dbraw/zinc/80/51/91/619805191.db2.gz XLIISFADXJEHNR-PBHICJAKSA-N 2 1 322.880 3.492 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903727881 619805274 /nfs/dbraw/zinc/80/52/74/619805274.db2.gz YPSJDNCKMOIYJI-AEFFLSMTSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730236 619805340 /nfs/dbraw/zinc/80/53/40/619805340.db2.gz UVKPVUVMPUNJPR-QRQLOZEOSA-N 2 1 314.473 3.023 20 0 DGADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729667 619805719 /nfs/dbraw/zinc/80/57/19/619805719.db2.gz QIWHKDLRPJGCIV-HKUYNNGSSA-N 2 1 314.473 3.155 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)c1 ZINC000903766723 619810295 /nfs/dbraw/zinc/81/02/95/619810295.db2.gz REUBBNSOQQOZGE-QFBILLFUSA-N 2 1 302.462 3.048 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)COC3)CCC1 ZINC000903810340 619817710 /nfs/dbraw/zinc/81/77/10/619817710.db2.gz BFSQMLALYCNVCO-GOSISDBHSA-N 2 1 300.446 3.200 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCC2SCCS2)CCC1 ZINC000903812123 619818192 /nfs/dbraw/zinc/81/81/92/619818192.db2.gz QIVGYQUDIVOWOB-ZDUSSCGKSA-N 2 1 300.537 3.166 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1coc(-c3ccc(Cl)cc3)n1)C2 ZINC000903848317 619823752 /nfs/dbraw/zinc/82/37/52/619823752.db2.gz PGSRAQANTZCZGQ-PEYYIBSZSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1coc(-c3ccc(Cl)cc3)n1)C2 ZINC000903848317 619823756 /nfs/dbraw/zinc/82/37/56/619823756.db2.gz PGSRAQANTZCZGQ-PEYYIBSZSA-N 2 1 317.820 3.307 20 0 DGADMP Oc1cccc(C[N@@H+](CC2CC2)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903888707 619826200 /nfs/dbraw/zinc/82/62/00/619826200.db2.gz JKSMGEMOXDZGBM-AYHJJNSGSA-N 2 1 300.446 3.135 20 0 DGADMP C(C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903875532 619827286 /nfs/dbraw/zinc/82/72/86/619827286.db2.gz QAOGSBFLGNKZFF-MFXPGESHSA-N 2 1 306.494 3.046 20 0 DGADMP Fc1cccc(C[C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903886972 619828587 /nfs/dbraw/zinc/82/85/87/619828587.db2.gz XABPZMBAKMHFAJ-ZCTYVAAUSA-N 2 1 302.437 3.363 20 0 DGADMP CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000903899648 619830782 /nfs/dbraw/zinc/83/07/82/619830782.db2.gz VMMIIOXDEAZYBV-FQEVSTJZSA-N 2 1 324.468 3.105 20 0 DGADMP Clc1cccc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903908886 619833127 /nfs/dbraw/zinc/83/31/27/619833127.db2.gz ANSCHZPEQGOVFH-FXANMCRTSA-N 2 1 320.864 3.244 20 0 DGADMP Clc1cccc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903908886 619833128 /nfs/dbraw/zinc/83/31/28/619833128.db2.gz ANSCHZPEQGOVFH-FXANMCRTSA-N 2 1 320.864 3.244 20 0 DGADMP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913948 619833861 /nfs/dbraw/zinc/83/38/61/619833861.db2.gz GEYJEOIOVSXHIV-WBMJQRKESA-N 2 1 312.379 3.495 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903937660 619838005 /nfs/dbraw/zinc/83/80/05/619838005.db2.gz PBMHZBJNVYPQLL-ZWKOTPCHSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)CC[NH2+]C1 ZINC000903939079 619838217 /nfs/dbraw/zinc/83/82/17/619838217.db2.gz CPEWTYAKMPRPKB-PXNSSMCTSA-N 2 1 324.472 3.256 20 0 DGADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918040 619838611 /nfs/dbraw/zinc/83/86/11/619838611.db2.gz QSLZMNQUHKIZTF-NRFANRHFSA-N 2 1 323.484 3.245 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000903959608 619839734 /nfs/dbraw/zinc/83/97/34/619839734.db2.gz KUACXNWENUTGBT-KRWDZBQOSA-N 2 1 316.474 3.104 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000903959608 619839736 /nfs/dbraw/zinc/83/97/36/619839736.db2.gz KUACXNWENUTGBT-KRWDZBQOSA-N 2 1 316.474 3.104 20 0 DGADMP Cc1ncc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000903959815 619839927 /nfs/dbraw/zinc/83/99/27/619839927.db2.gz PIQUEKCEILAMRT-FQEVSTJZSA-N 2 1 324.472 3.146 20 0 DGADMP Cc1ncc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000903959815 619839928 /nfs/dbraw/zinc/83/99/28/619839928.db2.gz PIQUEKCEILAMRT-FQEVSTJZSA-N 2 1 324.472 3.146 20 0 DGADMP F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903947665 619844009 /nfs/dbraw/zinc/84/40/09/619844009.db2.gz DOZWDSPSTMDCOT-WOJBJXKFSA-N 2 1 310.416 3.448 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972927 619847356 /nfs/dbraw/zinc/84/73/56/619847356.db2.gz MIQUHDDRDHUDJZ-IEBWSBKVSA-N 2 1 316.489 3.064 20 0 DGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973145 619847751 /nfs/dbraw/zinc/84/77/51/619847751.db2.gz OYTSECTVCPYDEX-MJGOQNOKSA-N 2 1 316.489 3.004 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000904309143 619911801 /nfs/dbraw/zinc/91/18/01/619911801.db2.gz APTNXRWPRUTZMB-GLQYFDAESA-N 2 1 309.251 3.323 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000904327975 619913833 /nfs/dbraw/zinc/91/38/33/619913833.db2.gz KOAYZSYHVAOGGG-XUWVNRHRSA-N 2 1 308.491 3.154 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000904327294 619914029 /nfs/dbraw/zinc/91/40/29/619914029.db2.gz BWDLLLPGXJLMRJ-WZGPROSRSA-N 2 1 302.462 3.092 20 0 DGADMP C[N@H+](Cc1cc(Br)ccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342514 619914539 /nfs/dbraw/zinc/91/45/39/619914539.db2.gz JOGZWUJIVDGIKV-WVSHTKLVSA-N 2 1 317.658 3.272 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904378426 619918221 /nfs/dbraw/zinc/91/82/21/619918221.db2.gz CNHFDYVWQXBHQV-MOPGFXCFSA-N 2 1 302.462 3.048 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)cc1F ZINC000904381192 619918850 /nfs/dbraw/zinc/91/88/50/619918850.db2.gz LGCOUQKRLRHETA-MAUKXSAKSA-N 2 1 306.425 3.013 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC000904409966 619920418 /nfs/dbraw/zinc/92/04/18/619920418.db2.gz LAOGEUJRNBGLDQ-WMZOPIPTSA-N 2 1 324.472 3.266 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cn3ccc(=S)c4ccccc43)C[C@]2(C)C1 ZINC000904435233 619921681 /nfs/dbraw/zinc/92/16/81/619921681.db2.gz ADUVBGBAKQEOMK-KDOFPFPSSA-N 2 1 313.470 3.212 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cn3ccc(=S)c4ccccc43)C[C@]2(C)C1 ZINC000904435233 619921682 /nfs/dbraw/zinc/92/16/82/619921682.db2.gz ADUVBGBAKQEOMK-KDOFPFPSSA-N 2 1 313.470 3.212 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)C[C@]2(C)C1 ZINC000904435233 619921684 /nfs/dbraw/zinc/92/16/84/619921684.db2.gz ADUVBGBAKQEOMK-KDOFPFPSSA-N 2 1 313.470 3.212 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)C[C@]2(C)C1 ZINC000904435233 619921685 /nfs/dbraw/zinc/92/16/85/619921685.db2.gz ADUVBGBAKQEOMK-KDOFPFPSSA-N 2 1 313.470 3.212 20 0 DGADMP CC[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000905147840 619975855 /nfs/dbraw/zinc/97/58/55/619975855.db2.gz SIFLNJVOCJAIQL-HNNXBMFYSA-N 2 1 322.415 3.077 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)C(C)(C)[NH+]2CCCCC2)c(F)c1 ZINC000910422806 620293419 /nfs/dbraw/zinc/29/34/19/620293419.db2.gz WDDQADICGVVDKX-UHFFFAOYSA-N 2 1 321.440 3.090 20 0 DGADMP S=c1oc2ccccc2n1CN1CCC(n2ccnc2)CC1 ZINC000152076820 620490625 /nfs/dbraw/zinc/49/06/25/620490625.db2.gz DGKJLOQSYGLFOV-UHFFFAOYSA-N 2 1 314.414 3.455 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921519630 620896882 /nfs/dbraw/zinc/89/68/82/620896882.db2.gz OSECRYHAKQEXHH-UHFFFAOYSA-N 2 1 318.509 3.288 20 0 DGADMP CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000921560350 620909698 /nfs/dbraw/zinc/90/96/98/620909698.db2.gz AMGFDJFXSCELKG-HOTGVXAUSA-N 2 1 316.474 3.340 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000921688665 620934266 /nfs/dbraw/zinc/93/42/66/620934266.db2.gz AVMNLVIEEXXOEF-DOTOQJQBSA-N 2 1 302.462 3.220 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921914093 620968278 /nfs/dbraw/zinc/96/82/78/620968278.db2.gz GQCQSBVWKOEGPI-INIZCTEOSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921914093 620968279 /nfs/dbraw/zinc/96/82/79/620968279.db2.gz GQCQSBVWKOEGPI-INIZCTEOSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980030 620975644 /nfs/dbraw/zinc/97/56/44/620975644.db2.gz IIXJPGTZFLJCIO-CVEARBPZSA-N 2 1 316.493 3.351 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980030 620975646 /nfs/dbraw/zinc/97/56/46/620975646.db2.gz IIXJPGTZFLJCIO-CVEARBPZSA-N 2 1 316.493 3.351 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551842 621003870 /nfs/dbraw/zinc/00/38/70/621003870.db2.gz AWWGQZDDSBJFRO-QFBILLFUSA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551842 621003878 /nfs/dbraw/zinc/00/38/78/621003878.db2.gz AWWGQZDDSBJFRO-QFBILLFUSA-N 2 1 319.493 3.423 20 0 DGADMP CC(C)=CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561763 621005673 /nfs/dbraw/zinc/00/56/73/621005673.db2.gz YLTXZZHFPNRMCJ-IBGZPJMESA-N 2 1 317.477 3.341 20 0 DGADMP CC(C)=CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561763 621005675 /nfs/dbraw/zinc/00/56/75/621005675.db2.gz YLTXZZHFPNRMCJ-IBGZPJMESA-N 2 1 317.477 3.341 20 0 DGADMP CC(C)=CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561763 621005677 /nfs/dbraw/zinc/00/56/77/621005677.db2.gz YLTXZZHFPNRMCJ-IBGZPJMESA-N 2 1 317.477 3.341 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)[C@H](c2ccccc2)C1 ZINC000922211450 621006554 /nfs/dbraw/zinc/00/65/54/621006554.db2.gz DIQFMSNNAXWQJG-QUCCMNQESA-N 2 1 324.472 3.043 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)[C@H](c2ccccc2)C1 ZINC000922211450 621006556 /nfs/dbraw/zinc/00/65/56/621006556.db2.gz DIQFMSNNAXWQJG-QUCCMNQESA-N 2 1 324.472 3.043 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3C=CCCC3)C2)ccn1 ZINC000856591190 621007374 /nfs/dbraw/zinc/00/73/74/621007374.db2.gz JTUQIOYIYQUYGI-HKUYNNGSSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)ccn1 ZINC000856591190 621007377 /nfs/dbraw/zinc/00/73/77/621007377.db2.gz JTUQIOYIYQUYGI-HKUYNNGSSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H]3C=CCCC3)C2)ccn1 ZINC000856591190 621007381 /nfs/dbraw/zinc/00/73/81/621007381.db2.gz JTUQIOYIYQUYGI-HKUYNNGSSA-N 2 1 315.461 3.095 20 0 DGADMP CC[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605758 621007443 /nfs/dbraw/zinc/00/74/43/621007443.db2.gz YODDCHSOABVFJV-YJBOKZPZSA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605758 621007447 /nfs/dbraw/zinc/00/74/47/621007447.db2.gz YODDCHSOABVFJV-YJBOKZPZSA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856605758 621007450 /nfs/dbraw/zinc/00/74/50/621007450.db2.gz YODDCHSOABVFJV-YJBOKZPZSA-N 2 1 305.466 3.173 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)s3)C2)[C@H]1C(C)C ZINC000922391279 621032690 /nfs/dbraw/zinc/03/26/90/621032690.db2.gz BBQFHISCIDNASY-TVFCKZIOSA-N 2 1 322.518 3.016 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000857860509 621124180 /nfs/dbraw/zinc/12/41/80/621124180.db2.gz ZEBQJTAXAWOPDN-ABHNRTSZSA-N 2 1 316.493 3.420 20 0 DGADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000857913740 621131351 /nfs/dbraw/zinc/13/13/51/621131351.db2.gz FLKQTDRYXVZHRH-GOEBONIOSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000857913740 621131354 /nfs/dbraw/zinc/13/13/54/621131354.db2.gz FLKQTDRYXVZHRH-GOEBONIOSA-N 2 1 319.880 3.434 20 0 DGADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000858115759 621154374 /nfs/dbraw/zinc/15/43/74/621154374.db2.gz KQUFSUCGEFXTLF-IBGZPJMESA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)c1nn(C)c(Cl)c1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858245993 621167777 /nfs/dbraw/zinc/16/77/77/621167777.db2.gz ZYPNTHWNXMRSNU-ZDUSSCGKSA-N 2 1 312.889 3.018 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000923298715 621173563 /nfs/dbraw/zinc/17/35/63/621173563.db2.gz YKQASXITWNDOFT-ZXFUBFMLSA-N 2 1 318.461 3.056 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304736 621173970 /nfs/dbraw/zinc/17/39/70/621173970.db2.gz SXHAPARFDGCGRG-UKRRQHHQSA-N 2 1 320.864 3.244 20 0 DGADMP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923312578 621174343 /nfs/dbraw/zinc/17/43/43/621174343.db2.gz KLWFUSVIKBKFRC-SFHVURJKSA-N 2 1 322.880 3.228 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304735 621174436 /nfs/dbraw/zinc/17/44/36/621174436.db2.gz SXHAPARFDGCGRG-HIFRSBDPSA-N 2 1 320.864 3.244 20 0 DGADMP CCc1nc([C@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923309584 621175258 /nfs/dbraw/zinc/17/52/58/621175258.db2.gz WWTVRZXYMMSWRW-WTXIUTQJSA-N 2 1 318.465 3.080 20 0 DGADMP CCc1nc([C@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923309584 621175260 /nfs/dbraw/zinc/17/52/60/621175260.db2.gz WWTVRZXYMMSWRW-WTXIUTQJSA-N 2 1 318.465 3.080 20 0 DGADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309113 621175520 /nfs/dbraw/zinc/17/55/20/621175520.db2.gz REWGVCAQZRNISB-XLIONFOSSA-N 2 1 322.452 3.355 20 0 DGADMP Cc1cc(C)n([C@@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923323653 621176344 /nfs/dbraw/zinc/17/63/44/621176344.db2.gz WHYRGKCYPFNFQP-XVLXNVKGSA-N 2 1 316.493 3.058 20 0 DGADMP CN(C)c1cccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923372602 621178780 /nfs/dbraw/zinc/17/87/80/621178780.db2.gz HRDUVPKEPCMPHS-ZNXRZULTSA-N 2 1 301.478 3.105 20 0 DGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374318 621179425 /nfs/dbraw/zinc/17/94/25/621179425.db2.gz VMCCLGMWQVYRDG-NPYXIHBLSA-N 2 1 302.466 3.084 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000923486197 621187376 /nfs/dbraw/zinc/18/73/76/621187376.db2.gz CRRYWEJKZAMAQV-VQIMIIECSA-N 2 1 323.440 3.037 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000923480579 621187609 /nfs/dbraw/zinc/18/76/09/621187609.db2.gz AIXNDEGTXJXROE-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492228 621188300 /nfs/dbraw/zinc/18/83/00/621188300.db2.gz APRYOURXIFKYSH-BZPMIXESSA-N 2 1 311.267 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1C[NH3+] ZINC000923502447 621188813 /nfs/dbraw/zinc/18/88/13/621188813.db2.gz ZCYWZQOOXYDPQV-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923502660 621188825 /nfs/dbraw/zinc/18/88/25/621188825.db2.gz YAIQYHIPIZPHCX-HZPDHXFCSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499764 621189101 /nfs/dbraw/zinc/18/91/01/621189101.db2.gz TYPUPUUSIOFBFM-QWHCGFSZSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499365 621189379 /nfs/dbraw/zinc/18/93/79/621189379.db2.gz KBRNIBCNKLKCKG-FRRDWIJNSA-N 2 1 322.403 3.409 20 0 DGADMP c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)oc1C1CC1 ZINC000923506051 621189794 /nfs/dbraw/zinc/18/97/94/621189794.db2.gz FVMJPWKJVXHPOL-AWEZNQCLSA-N 2 1 303.450 3.154 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518358 621191244 /nfs/dbraw/zinc/19/12/44/621191244.db2.gz DKKMIYCAPSHUTR-FPMFFAJLSA-N 2 1 309.251 3.051 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518358 621191246 /nfs/dbraw/zinc/19/12/46/621191246.db2.gz DKKMIYCAPSHUTR-FPMFFAJLSA-N 2 1 309.251 3.051 20 0 DGADMP Cc1csc(C[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000923551695 621193190 /nfs/dbraw/zinc/19/31/90/621193190.db2.gz OSYVCXITSRSBDB-INIZCTEOSA-N 2 1 307.507 3.096 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCc2ccc3c(c2)CCO3)cc1 ZINC000859214609 621261091 /nfs/dbraw/zinc/26/10/91/621261091.db2.gz LHEZMTLRMPTMKC-UHFFFAOYSA-N 2 1 324.468 3.358 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2(Br)CC2)cc1 ZINC000859213137 621261178 /nfs/dbraw/zinc/26/11/78/621261178.db2.gz RXZDUVSRVHODOZ-UHFFFAOYSA-N 2 1 311.267 3.108 20 0 DGADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839179920 621343462 /nfs/dbraw/zinc/34/34/62/621343462.db2.gz AWTIPZIUADGVKQ-ZDUSSCGKSA-N 2 1 312.889 3.018 20 0 DGADMP CC(C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000860072460 621363473 /nfs/dbraw/zinc/36/34/73/621363473.db2.gz DLADOTFCOQNXBA-LJQANCHMSA-N 2 1 312.457 3.121 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1c2ccccc2oc1=S ZINC000103462262 621378609 /nfs/dbraw/zinc/37/86/09/621378609.db2.gz MFGYLFZBJIZHEV-UHFFFAOYSA-N 2 1 305.447 3.195 20 0 DGADMP Cc1ncc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000862324590 621574382 /nfs/dbraw/zinc/57/43/82/621574382.db2.gz PQBUDUURMOBSMZ-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP Cc1c(F)nccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000862366952 621579321 /nfs/dbraw/zinc/57/93/21/621579321.db2.gz PQLBJXXKPWJDBG-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP CCC(C)(C)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000864088425 621735586 /nfs/dbraw/zinc/73/55/86/621735586.db2.gz BNPHMEMWRVPQTA-UHFFFAOYSA-N 2 1 301.356 3.411 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000757988080 621751454 /nfs/dbraw/zinc/75/14/54/621751454.db2.gz ZTPHZUBAHNSODE-RDTXWAMCSA-N 2 1 311.429 3.164 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865449074 621924332 /nfs/dbraw/zinc/92/43/32/621924332.db2.gz PFYNJKMOFCLRHD-JTQLQIEISA-N 2 1 313.232 3.319 20 0 DGADMP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000865462483 621927033 /nfs/dbraw/zinc/92/70/33/621927033.db2.gz MNAXPRCKACZUSM-QGZVFWFLSA-N 2 1 322.880 3.381 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)C(C)(C)C ZINC000865467299 621928002 /nfs/dbraw/zinc/92/80/02/621928002.db2.gz XNJLGEMAQCAPGY-CYBMUJFWSA-N 2 1 301.837 3.330 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000865874098 622013098 /nfs/dbraw/zinc/01/30/98/622013098.db2.gz QUOHKLYFCJNINQ-UKBAYJJMSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000865874098 622013099 /nfs/dbraw/zinc/01/30/99/622013099.db2.gz QUOHKLYFCJNINQ-UKBAYJJMSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263555 622079194 /nfs/dbraw/zinc/07/91/94/622079194.db2.gz QGKISIFCIUOFLY-VXGBXAGGSA-N 2 1 307.825 3.474 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263555 622079195 /nfs/dbraw/zinc/07/91/95/622079195.db2.gz QGKISIFCIUOFLY-VXGBXAGGSA-N 2 1 307.825 3.474 20 0 DGADMP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866453677 622121249 /nfs/dbraw/zinc/12/12/49/622121249.db2.gz RBEUJVCSAHNCIH-RTBURBONSA-N 2 1 316.489 3.180 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)[C@@H](C)C1 ZINC000866492639 622126767 /nfs/dbraw/zinc/12/67/67/622126767.db2.gz QVUTXPPCLNTRPT-KSSFIOAISA-N 2 1 317.452 3.478 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCCC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000866543139 622135931 /nfs/dbraw/zinc/13/59/31/622135931.db2.gz RSPHGXYUCVTCCX-AGIUHOORSA-N 2 1 310.429 3.134 20 0 DGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866563146 622138724 /nfs/dbraw/zinc/13/87/24/622138724.db2.gz XNUDMMBGELINBG-GOSISDBHSA-N 2 1 322.493 3.059 20 0 DGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866563146 622138725 /nfs/dbraw/zinc/13/87/25/622138725.db2.gz XNUDMMBGELINBG-GOSISDBHSA-N 2 1 322.493 3.059 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC000866572705 622140762 /nfs/dbraw/zinc/14/07/62/622140762.db2.gz BBVFHEMSPLBAIJ-KRWDZBQOSA-N 2 1 320.477 3.310 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccnn1C ZINC000866613789 622146927 /nfs/dbraw/zinc/14/69/27/622146927.db2.gz WBADXGCGCPOOFN-BFYDXBDKSA-N 2 1 304.482 3.114 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000866659520 622153939 /nfs/dbraw/zinc/15/39/39/622153939.db2.gz MSHUNUGQSXOOFX-OLZOCXBDSA-N 2 1 323.868 3.035 20 0 DGADMP Cc1cncc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000866721746 622159735 /nfs/dbraw/zinc/15/97/35/622159735.db2.gz YMJCHRLOYSLMTA-HXUWFJFHSA-N 2 1 307.441 3.373 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000866717789 622159816 /nfs/dbraw/zinc/15/98/16/622159816.db2.gz OZAGGKILRLRIJO-IRXDYDNUSA-N 2 1 302.462 3.264 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765405086 622263401 /nfs/dbraw/zinc/26/34/01/622263401.db2.gz GGTQOAJJHZTVHC-YESZJQIVSA-N 2 1 322.468 3.236 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765405090 622263548 /nfs/dbraw/zinc/26/35/48/622263548.db2.gz GGTQOAJJHZTVHC-ZACQAIPSSA-N 2 1 322.468 3.236 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000765449307 622265938 /nfs/dbraw/zinc/26/59/38/622265938.db2.gz ILFSLCGMHHOFLL-CABCVRRESA-N 2 1 300.450 3.172 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765792172 622287340 /nfs/dbraw/zinc/28/73/40/622287340.db2.gz PHIHKLYJWWDQBO-UFYCRDLUSA-N 2 1 316.489 3.097 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765792172 622287342 /nfs/dbraw/zinc/28/73/42/622287342.db2.gz PHIHKLYJWWDQBO-UFYCRDLUSA-N 2 1 316.489 3.097 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000765878818 622292550 /nfs/dbraw/zinc/29/25/50/622292550.db2.gz ZZYRNFVTPHDPDM-RDJZCZTQSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000765878818 622292551 /nfs/dbraw/zinc/29/25/51/622292551.db2.gz ZZYRNFVTPHDPDM-RDJZCZTQSA-N 2 1 312.461 3.173 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000765977589 622297966 /nfs/dbraw/zinc/29/79/66/622297966.db2.gz QSJARESISCRPGY-JKSUJKDBSA-N 2 1 308.491 3.432 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000765979245 622298174 /nfs/dbraw/zinc/29/81/74/622298174.db2.gz WPHHVTPIFKKAMG-GOEBONIOSA-N 2 1 308.491 3.351 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000766137197 622308566 /nfs/dbraw/zinc/30/85/66/622308566.db2.gz FBWMRKLMNJPHDX-BMGDILEWSA-N 2 1 320.477 3.254 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000881805741 625566823 /nfs/dbraw/zinc/56/68/23/625566823.db2.gz QPNGZZQZCLJTFF-KRWDZBQOSA-N 2 1 317.477 3.434 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1c1ccccc1 ZINC000123180037 622479184 /nfs/dbraw/zinc/47/91/84/622479184.db2.gz XJACRHIOALUGIF-NCXUSEDFSA-N 2 1 314.473 3.022 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1c1ccccc1 ZINC000123180037 622479188 /nfs/dbraw/zinc/47/91/88/622479188.db2.gz XJACRHIOALUGIF-NCXUSEDFSA-N 2 1 314.473 3.022 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000769506896 622535511 /nfs/dbraw/zinc/53/55/11/622535511.db2.gz YBJOZMNUKLXDQO-HXUWFJFHSA-N 2 1 324.468 3.444 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)c1ccc(C)cc1 ZINC000769658741 622548030 /nfs/dbraw/zinc/54/80/30/622548030.db2.gz AQVQDYFEUQKTAI-IBGZPJMESA-N 2 1 304.478 3.226 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)c1ccc(C)cc1 ZINC000769658741 622548033 /nfs/dbraw/zinc/54/80/33/622548033.db2.gz AQVQDYFEUQKTAI-IBGZPJMESA-N 2 1 304.478 3.226 20 0 DGADMP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000769874071 622570794 /nfs/dbraw/zinc/57/07/94/622570794.db2.gz MDYUYKCUGHYBJK-QLFBSQMISA-N 2 1 323.481 3.085 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1COC2 ZINC000770372638 622625864 /nfs/dbraw/zinc/62/58/64/622625864.db2.gz DKIWQZJQNALQQK-UZLBHIALSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372638 622625869 /nfs/dbraw/zinc/62/58/69/622625869.db2.gz DKIWQZJQNALQQK-UZLBHIALSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372638 622625873 /nfs/dbraw/zinc/62/58/73/622625873.db2.gz DKIWQZJQNALQQK-UZLBHIALSA-N 2 1 312.457 3.166 20 0 DGADMP Cc1ccc(F)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871785024 622697350 /nfs/dbraw/zinc/69/73/50/622697350.db2.gz NYSHKESOAWYRSD-LQDVMPOASA-N 2 1 305.397 3.005 20 0 DGADMP Cc1ccc(F)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871785024 622697353 /nfs/dbraw/zinc/69/73/53/622697353.db2.gz NYSHKESOAWYRSD-LQDVMPOASA-N 2 1 305.397 3.005 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](C)CC1)CCCC2 ZINC000872018326 622754373 /nfs/dbraw/zinc/75/43/73/622754373.db2.gz KNRSAVVOCVPAET-QGZVFWFLSA-N 2 1 318.461 3.155 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000872033678 622764816 /nfs/dbraw/zinc/76/48/16/622764816.db2.gz DNIATCIRPPANJC-HKUYNNGSSA-N 2 1 322.468 3.093 20 0 DGADMP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000872035175 622765904 /nfs/dbraw/zinc/76/59/04/622765904.db2.gz NKTIYTWIXALUAD-UKRRQHHQSA-N 2 1 322.415 3.341 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037276 622766574 /nfs/dbraw/zinc/76/65/74/622766574.db2.gz AGOALMZXCRQJGF-IPELMVKDSA-N 2 1 322.468 3.234 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037276 622766578 /nfs/dbraw/zinc/76/65/78/622766578.db2.gz AGOALMZXCRQJGF-IPELMVKDSA-N 2 1 322.468 3.234 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(O)ccc1F ZINC000872046240 622772572 /nfs/dbraw/zinc/77/25/72/622772572.db2.gz VNTBFMDEVFQOHG-ZNMIVQPWSA-N 2 1 324.440 3.071 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCCOC1 ZINC000872060128 622782284 /nfs/dbraw/zinc/78/22/84/622782284.db2.gz MHSBFFCMHVOFMZ-VXNCWWDNSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCCOC1 ZINC000872060125 622782335 /nfs/dbraw/zinc/78/23/35/622782335.db2.gz MHSBFFCMHVOFMZ-DFEOGRTESA-N 2 1 308.510 3.434 20 0 DGADMP CC1(C)CO[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000872106645 622808856 /nfs/dbraw/zinc/80/88/56/622808856.db2.gz JKVYGLWFQVWPPB-IBGZPJMESA-N 2 1 316.489 3.098 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@H]1C(F)(F)F ZINC000872147081 622832652 /nfs/dbraw/zinc/83/26/52/622832652.db2.gz CWQVTGCTRLHRRE-GOEBONIOSA-N 2 1 308.347 3.409 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000872150355 622832770 /nfs/dbraw/zinc/83/27/70/622832770.db2.gz QFYSIIFOOKMDGE-TZMCWYRMSA-N 2 1 320.786 3.342 20 0 DGADMP Cc1csc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000872148780 622832986 /nfs/dbraw/zinc/83/29/86/622832986.db2.gz RKMULGIETXKDDF-MRXNPFEDSA-N 2 1 313.470 3.087 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1noc3c1CC(C)(C)CC3)CC[NH2+]CC2 ZINC000872145280 622833516 /nfs/dbraw/zinc/83/35/16/622833516.db2.gz RBMXMEBPHBNQGB-AWEZNQCLSA-N 2 1 317.477 3.154 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872150701 622835296 /nfs/dbraw/zinc/83/52/96/622835296.db2.gz GDYMLDXNEDBYNC-VXGBXAGGSA-N 2 1 308.294 3.193 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872150701 622835301 /nfs/dbraw/zinc/83/53/01/622835301.db2.gz GDYMLDXNEDBYNC-VXGBXAGGSA-N 2 1 308.294 3.193 20 0 DGADMP CC(C)c1cccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155673 622836886 /nfs/dbraw/zinc/83/68/86/622836886.db2.gz YHUCAKZOXQSPBK-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCCCCC[NH3+] ZINC000872155511 622837135 /nfs/dbraw/zinc/83/71/35/622837135.db2.gz OBIORTHWSORBPN-OAHLLOKOSA-N 2 1 316.449 3.172 20 0 DGADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155511 622837141 /nfs/dbraw/zinc/83/71/41/622837141.db2.gz OBIORTHWSORBPN-OAHLLOKOSA-N 2 1 316.449 3.172 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000872724826 622960443 /nfs/dbraw/zinc/96/04/43/622960443.db2.gz YDEXLGAZJQYVJW-GDBMZVCRSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000872724826 622960450 /nfs/dbraw/zinc/96/04/50/622960450.db2.gz YDEXLGAZJQYVJW-GDBMZVCRSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000872724826 622960456 /nfs/dbraw/zinc/96/04/56/622960456.db2.gz YDEXLGAZJQYVJW-GDBMZVCRSA-N 2 1 313.470 3.354 20 0 DGADMP CCCO[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873205416 623074615 /nfs/dbraw/zinc/07/46/15/623074615.db2.gz PFHNUNSONJGXBF-HNNXBMFYSA-N 2 1 308.491 3.175 20 0 DGADMP Fc1cccc2c1C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873205840 623074674 /nfs/dbraw/zinc/07/46/74/623074674.db2.gz SSJYOCNZHYJCBN-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP Fc1cccc2c1C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873205840 623074680 /nfs/dbraw/zinc/07/46/80/623074680.db2.gz SSJYOCNZHYJCBN-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP CCC[C@@]1(COC)CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210028 623075462 /nfs/dbraw/zinc/07/54/62/623075462.db2.gz XOUGJMQMNXYRJU-KRWDZBQOSA-N 2 1 308.491 3.175 20 0 DGADMP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CC[C@@H](C)C1 ZINC000873209872 623076346 /nfs/dbraw/zinc/07/63/46/623076346.db2.gz UWVBCWPLHZLFRN-HIFRSBDPSA-N 2 1 308.491 3.031 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000873226828 623082058 /nfs/dbraw/zinc/08/20/58/623082058.db2.gz BZCBWPIOUWWHPH-UHFFFAOYSA-N 2 1 313.489 3.495 20 0 DGADMP CCn1c2ccccc2nc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223782 623082093 /nfs/dbraw/zinc/08/20/93/623082093.db2.gz SEDNTRMRGBWBHG-IBGZPJMESA-N 2 1 314.477 3.253 20 0 DGADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223782 623082099 /nfs/dbraw/zinc/08/20/99/623082099.db2.gz SEDNTRMRGBWBHG-IBGZPJMESA-N 2 1 314.477 3.253 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc2cccnc12 ZINC000873228123 623082447 /nfs/dbraw/zinc/08/24/47/623082447.db2.gz PNKSOZVRXIWMJE-LSDHHAIUSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc2cccnc12 ZINC000873228123 623082450 /nfs/dbraw/zinc/08/24/50/623082450.db2.gz PNKSOZVRXIWMJE-LSDHHAIUSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc2cccnc12 ZINC000873228094 623082495 /nfs/dbraw/zinc/08/24/95/623082495.db2.gz PNKSOZVRXIWMJE-CABCVRRESA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc2cccnc12 ZINC000873228094 623082500 /nfs/dbraw/zinc/08/25/00/623082500.db2.gz PNKSOZVRXIWMJE-CABCVRRESA-N 2 1 323.362 3.112 20 0 DGADMP Cc1csc([C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000873228328 623083192 /nfs/dbraw/zinc/08/31/92/623083192.db2.gz RWFVOXHUYBMVGZ-GFCCVEGCSA-N 2 1 319.499 3.148 20 0 DGADMP COc1nc2ccccc2cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231309 623083599 /nfs/dbraw/zinc/08/35/99/623083599.db2.gz FATVVWNYCQHCKW-UHFFFAOYSA-N 2 1 301.434 3.194 20 0 DGADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231631 623084482 /nfs/dbraw/zinc/08/44/82/623084482.db2.gz TVRDIHDFQLGDJR-QFBILLFUSA-N 2 1 318.509 3.157 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000774368521 623136901 /nfs/dbraw/zinc/13/69/01/623136901.db2.gz PZFQXMRAYDEBQG-HAGHYFMRSA-N 2 1 312.457 3.464 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000774407742 623141019 /nfs/dbraw/zinc/14/10/19/623141019.db2.gz DBEQMPLGOYAGIZ-SQNIBIBYSA-N 2 1 322.880 3.490 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000774407742 623141023 /nfs/dbraw/zinc/14/10/23/623141023.db2.gz DBEQMPLGOYAGIZ-SQNIBIBYSA-N 2 1 322.880 3.490 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642887 623169966 /nfs/dbraw/zinc/16/99/66/623169966.db2.gz QAUANGCCOLIARR-CRAIPNDOSA-N 2 1 322.880 3.037 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642887 623169971 /nfs/dbraw/zinc/16/99/71/623169971.db2.gz QAUANGCCOLIARR-CRAIPNDOSA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642887 623169975 /nfs/dbraw/zinc/16/99/75/623169975.db2.gz QAUANGCCOLIARR-CRAIPNDOSA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774642887 623169977 /nfs/dbraw/zinc/16/99/77/623169977.db2.gz QAUANGCCOLIARR-CRAIPNDOSA-N 2 1 322.880 3.037 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000776256228 623402709 /nfs/dbraw/zinc/40/27/09/623402709.db2.gz CETFCMTTZFTMDN-UHFFFAOYSA-N 2 1 300.446 3.142 20 0 DGADMP CC[NH+](CC)CCOc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000777545480 623539248 /nfs/dbraw/zinc/53/92/48/623539248.db2.gz SIIVYIZYTNWRLP-WMZOPIPTSA-N 2 1 319.493 3.302 20 0 DGADMP CCCCCC[N@@H+](C)Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000790514915 625663213 /nfs/dbraw/zinc/66/32/13/625663213.db2.gz MWVZXUTZRHRWDB-UHFFFAOYSA-N 2 1 313.405 3.396 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000876624394 623663231 /nfs/dbraw/zinc/66/32/31/623663231.db2.gz DUXWHFQJOXLRBJ-UHFFFAOYSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2(C)CCCC2)CC1 ZINC000876651989 623670085 /nfs/dbraw/zinc/67/00/85/623670085.db2.gz FPCCIJNATBOBDZ-HDICACEKSA-N 2 1 307.526 3.057 20 0 DGADMP CCOP(=O)(CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OCC ZINC000876764018 623701807 /nfs/dbraw/zinc/70/18/07/623701807.db2.gz JZTDKRXHWIIGAC-LSDHHAIUSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OCC ZINC000876764018 623701814 /nfs/dbraw/zinc/70/18/14/623701814.db2.gz JZTDKRXHWIIGAC-LSDHHAIUSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OCC ZINC000876764018 623701819 /nfs/dbraw/zinc/70/18/19/623701819.db2.gz JZTDKRXHWIIGAC-LSDHHAIUSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OCC ZINC000876764018 623701824 /nfs/dbraw/zinc/70/18/24/623701824.db2.gz JZTDKRXHWIIGAC-LSDHHAIUSA-N 2 1 320.414 3.057 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783247 623705102 /nfs/dbraw/zinc/70/51/02/623705102.db2.gz XPWBEWWCTDHGFN-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783247 623705104 /nfs/dbraw/zinc/70/51/04/623705104.db2.gz XPWBEWWCTDHGFN-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783247 623705107 /nfs/dbraw/zinc/70/51/07/623705107.db2.gz XPWBEWWCTDHGFN-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783247 623705110 /nfs/dbraw/zinc/70/51/10/623705110.db2.gz XPWBEWWCTDHGFN-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1cc(C)cc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000876812367 623714225 /nfs/dbraw/zinc/71/42/25/623714225.db2.gz TTXQVRRJOVZMLN-VAMGGRTRSA-N 2 1 316.489 3.029 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000876899735 623739259 /nfs/dbraw/zinc/73/92/59/623739259.db2.gz PTJUYTIPIMKOIJ-VBKZILBWSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000876916297 623744090 /nfs/dbraw/zinc/74/40/90/623744090.db2.gz QNOWHPAUVNUBKI-YPENRWOSSA-N 2 1 315.398 3.140 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876964277 623756787 /nfs/dbraw/zinc/75/67/87/623756787.db2.gz WVAAIZHNGUMGJI-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876964277 623756790 /nfs/dbraw/zinc/75/67/90/623756790.db2.gz WVAAIZHNGUMGJI-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000877067621 623782308 /nfs/dbraw/zinc/78/23/08/623782308.db2.gz HJDLOGIIGBWXJW-OJGJKHBXSA-N 2 1 316.426 3.314 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000877067621 623782312 /nfs/dbraw/zinc/78/23/12/623782312.db2.gz HJDLOGIIGBWXJW-OJGJKHBXSA-N 2 1 316.426 3.314 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(ccnc2Cl)o1 ZINC000877496725 623912241 /nfs/dbraw/zinc/91/22/41/623912241.db2.gz XKEUBVLJGDFTCA-UHFFFAOYSA-N 2 1 307.825 3.399 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(ccnc2Cl)o1 ZINC000877496725 623912245 /nfs/dbraw/zinc/91/22/45/623912245.db2.gz XKEUBVLJGDFTCA-UHFFFAOYSA-N 2 1 307.825 3.399 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000877496721 623912410 /nfs/dbraw/zinc/91/24/10/623912410.db2.gz XKCHIOXOLQTBCL-PMACEKPBSA-N 2 1 316.489 3.303 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)CC1 ZINC000877528981 623925705 /nfs/dbraw/zinc/92/57/05/623925705.db2.gz PGFNVRUKCUTUPQ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000877529298 623926147 /nfs/dbraw/zinc/92/61/47/623926147.db2.gz YMHQTVKHZKVNPY-CQSZACIVSA-N 2 1 311.832 3.038 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000877529298 623926150 /nfs/dbraw/zinc/92/61/50/623926150.db2.gz YMHQTVKHZKVNPY-CQSZACIVSA-N 2 1 311.832 3.038 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741258 624013766 /nfs/dbraw/zinc/01/37/66/624013766.db2.gz AEIBXFWSFBJVNS-AZUAARDMSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741258 624013770 /nfs/dbraw/zinc/01/37/70/624013770.db2.gz AEIBXFWSFBJVNS-AZUAARDMSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)ccc2c1 ZINC000877741258 624013775 /nfs/dbraw/zinc/01/37/75/624013775.db2.gz AEIBXFWSFBJVNS-AZUAARDMSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)ccc2c1 ZINC000877741258 624013780 /nfs/dbraw/zinc/01/37/80/624013780.db2.gz AEIBXFWSFBJVNS-AZUAARDMSA-N 2 1 310.441 3.374 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741831 624015165 /nfs/dbraw/zinc/01/51/65/624015165.db2.gz NRYPAWCBBYFWIB-SHWKFHJASA-N 2 1 304.400 3.381 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741831 624015166 /nfs/dbraw/zinc/01/51/66/624015166.db2.gz NRYPAWCBBYFWIB-SHWKFHJASA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741831 624015170 /nfs/dbraw/zinc/01/51/70/624015170.db2.gz NRYPAWCBBYFWIB-SHWKFHJASA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741831 624015173 /nfs/dbraw/zinc/01/51/73/624015173.db2.gz NRYPAWCBBYFWIB-SHWKFHJASA-N 2 1 304.400 3.381 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744457 624017450 /nfs/dbraw/zinc/01/74/50/624017450.db2.gz TYVSQMOFCDPIMZ-OALUTQOASA-N 2 1 313.489 3.203 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744457 624017452 /nfs/dbraw/zinc/01/74/52/624017452.db2.gz TYVSQMOFCDPIMZ-OALUTQOASA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744457 624017455 /nfs/dbraw/zinc/01/74/55/624017455.db2.gz TYVSQMOFCDPIMZ-OALUTQOASA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744457 624017457 /nfs/dbraw/zinc/01/74/57/624017457.db2.gz TYVSQMOFCDPIMZ-OALUTQOASA-N 2 1 313.489 3.203 20 0 DGADMP CC(C)C[N@H+](Cc1c(C2CC2)cnn1C)CC1CC[NH+](C)CC1 ZINC000877767682 624028369 /nfs/dbraw/zinc/02/83/69/624028369.db2.gz SUVWAXHICTUXBE-UHFFFAOYSA-N 2 1 318.509 3.097 20 0 DGADMP CCCn1nccc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767706 624028477 /nfs/dbraw/zinc/02/84/77/624028477.db2.gz UIIZEPJSNQOFJY-UHFFFAOYSA-N 2 1 306.498 3.093 20 0 DGADMP CC(C)C[N@@H+](C[C@H]1CC1(Cl)Cl)CC1CC[NH+](C)CC1 ZINC000877767428 624028775 /nfs/dbraw/zinc/02/87/75/624028775.db2.gz INIZESBJDVPTOV-CQSZACIVSA-N 2 1 307.309 3.480 20 0 DGADMP C=C/C=C/CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000878174102 624202139 /nfs/dbraw/zinc/20/21/39/624202139.db2.gz JDQJSBLHRDKEFE-AATRIKPKSA-N 2 1 319.537 3.247 20 0 DGADMP C=C/C=C/CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174102 624202142 /nfs/dbraw/zinc/20/21/42/624202142.db2.gz JDQJSBLHRDKEFE-AATRIKPKSA-N 3 1 319.537 3.247 20 0 DGADMP C=C/C=C/CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174102 624202143 /nfs/dbraw/zinc/20/21/43/624202143.db2.gz JDQJSBLHRDKEFE-AATRIKPKSA-N 3 1 319.537 3.247 20 0 DGADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173128 624202334 /nfs/dbraw/zinc/20/23/34/624202334.db2.gz SNQHLWNMCMNFHB-AFYVEPGGSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173128 624202335 /nfs/dbraw/zinc/20/23/35/624202335.db2.gz SNQHLWNMCMNFHB-AFYVEPGGSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173128 624202338 /nfs/dbraw/zinc/20/23/38/624202338.db2.gz SNQHLWNMCMNFHB-AFYVEPGGSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000878173128 624202339 /nfs/dbraw/zinc/20/23/39/624202339.db2.gz SNQHLWNMCMNFHB-AFYVEPGGSA-N 2 1 316.489 3.396 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184963 624217295 /nfs/dbraw/zinc/21/72/95/624217295.db2.gz VCDGEWSUWJUNNF-LJQANCHMSA-N 2 1 302.462 3.346 20 0 DGADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)OC1 ZINC000878285604 624235699 /nfs/dbraw/zinc/23/56/99/624235699.db2.gz CYJQJEVKUJZKQD-JQHSSLGASA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)OC1 ZINC000878285604 624235700 /nfs/dbraw/zinc/23/57/00/624235700.db2.gz CYJQJEVKUJZKQD-JQHSSLGASA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)OC1 ZINC000878285604 624235703 /nfs/dbraw/zinc/23/57/03/624235703.db2.gz CYJQJEVKUJZKQD-JQHSSLGASA-N 2 1 306.494 3.140 20 0 DGADMP C[C@@H]([NH2+]CCCOC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411389 624271231 /nfs/dbraw/zinc/27/12/31/624271231.db2.gz JBPAVIKDIVOWPX-OLZOCXBDSA-N 2 1 308.388 3.156 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000878513107 624294986 /nfs/dbraw/zinc/29/49/86/624294986.db2.gz VBJRMPGTFPTUKV-MRXNPFEDSA-N 2 1 307.482 3.363 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000878513107 624294989 /nfs/dbraw/zinc/29/49/89/624294989.db2.gz VBJRMPGTFPTUKV-MRXNPFEDSA-N 2 1 307.482 3.363 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC[C@H](O)C(C)C)C2)s1 ZINC000878573146 624311870 /nfs/dbraw/zinc/31/18/70/624311870.db2.gz HQLQIZPZYMUIFZ-WMZOPIPTSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@H](O)C(C)C)C2)s1 ZINC000878573146 624311871 /nfs/dbraw/zinc/31/18/71/624311871.db2.gz HQLQIZPZYMUIFZ-WMZOPIPTSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@H](O)C(C)C)C2)s1 ZINC000878573146 624311873 /nfs/dbraw/zinc/31/18/73/624311873.db2.gz HQLQIZPZYMUIFZ-WMZOPIPTSA-N 2 1 324.534 3.217 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878646337 624329279 /nfs/dbraw/zinc/32/92/79/624329279.db2.gz ZPVSVBFKMOICEM-AABGKKOBSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(CCc3ccccc3Br)C2)C1 ZINC000878645237 624329310 /nfs/dbraw/zinc/32/93/10/624329310.db2.gz INFCRXBZMORKKM-INIZCTEOSA-N 2 1 323.278 3.019 20 0 DGADMP COCC[N@@H+](CCCCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879125661 624432633 /nfs/dbraw/zinc/43/26/33/624432633.db2.gz FQULJOWLOBHCNQ-UHFFFAOYSA-N 2 1 310.404 3.009 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000879206104 624450886 /nfs/dbraw/zinc/45/08/86/624450886.db2.gz FZVVPQKPNFGGRP-LJQANCHMSA-N 2 1 316.489 3.369 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000879206628 624451032 /nfs/dbraw/zinc/45/10/32/624451032.db2.gz PVABIMDBMQQZCW-SFHVURJKSA-N 2 1 302.462 3.060 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C ZINC000879573123 624595600 /nfs/dbraw/zinc/59/56/00/624595600.db2.gz UGNHDZCTKNIMRF-HKUYNNGSSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC000879573123 624595611 /nfs/dbraw/zinc/59/56/11/624595611.db2.gz UGNHDZCTKNIMRF-HKUYNNGSSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC000879573123 624595615 /nfs/dbraw/zinc/59/56/15/624595615.db2.gz UGNHDZCTKNIMRF-HKUYNNGSSA-N 2 1 302.462 3.098 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578098 624597894 /nfs/dbraw/zinc/59/78/94/624597894.db2.gz ATYODKDCQCUABM-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578098 624597900 /nfs/dbraw/zinc/59/79/00/624597900.db2.gz ATYODKDCQCUABM-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578098 624597904 /nfs/dbraw/zinc/59/79/04/624597904.db2.gz ATYODKDCQCUABM-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578098 624597912 /nfs/dbraw/zinc/59/79/12/624597912.db2.gz ATYODKDCQCUABM-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000879701891 624644192 /nfs/dbraw/zinc/64/41/92/624644192.db2.gz CUEZKSRLAZURMW-LJQANCHMSA-N 2 1 322.468 3.159 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)CC1CC[NH+](C)CC1 ZINC000879706138 624646616 /nfs/dbraw/zinc/64/66/16/624646616.db2.gz VQHMEFCWIPLTEG-GBESFXJTSA-N 2 1 308.510 3.244 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]c2c1 ZINC000785802026 624734997 /nfs/dbraw/zinc/73/49/97/624734997.db2.gz UTRRPHCJOYBIHU-HOTGVXAUSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]c2c1 ZINC000785802026 624735001 /nfs/dbraw/zinc/73/50/01/624735001.db2.gz UTRRPHCJOYBIHU-HOTGVXAUSA-N 2 1 311.429 3.127 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCc2ccccn2)CC1 ZINC000880253835 624869458 /nfs/dbraw/zinc/86/94/58/624869458.db2.gz CELKCILXUJDXER-UHFFFAOYSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259486 624874743 /nfs/dbraw/zinc/87/47/43/624874743.db2.gz ULRKKLBCZNMGCI-STQMWFEESA-N 2 1 314.260 3.176 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595716 625223532 /nfs/dbraw/zinc/22/35/32/625223532.db2.gz VCILGKLEPMKPQJ-ZFWWWQNUSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595716 625223539 /nfs/dbraw/zinc/22/35/39/625223539.db2.gz VCILGKLEPMKPQJ-ZFWWWQNUSA-N 2 1 307.869 3.432 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000882897308 625850333 /nfs/dbraw/zinc/85/03/33/625850333.db2.gz GBGWNZUHOURHGR-ROUUACIJSA-N 2 1 316.489 3.475 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883188535 625962265 /nfs/dbraw/zinc/96/22/65/625962265.db2.gz LQVQZXTUTBWCGN-KXBFYZLASA-N 2 1 320.452 3.225 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)[C@@H](C)C1 ZINC000883190179 625963477 /nfs/dbraw/zinc/96/34/77/625963477.db2.gz WZDWQENNIHFZLE-BZSNNMDCSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000796692882 626074018 /nfs/dbraw/zinc/07/40/18/626074018.db2.gz HKDAOLIUASTBHN-GUDVDZBRSA-N 2 1 302.462 3.436 20 0 DGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000796692884 626074196 /nfs/dbraw/zinc/07/41/96/626074196.db2.gz HKDAOLIUASTBHN-IPMKNSEASA-N 2 1 302.462 3.436 20 0 DGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000796692887 626074214 /nfs/dbraw/zinc/07/42/14/626074214.db2.gz HKDAOLIUASTBHN-OTWHNJEPSA-N 2 1 302.462 3.436 20 0 DGADMP CC(C)C[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000796725552 626076553 /nfs/dbraw/zinc/07/65/53/626076553.db2.gz XKMQBFHDISWYLU-MHJFOBGBSA-N 2 1 318.505 3.426 20 0 DGADMP c1n[nH]c2c1[C@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000796802148 626084623 /nfs/dbraw/zinc/08/46/23/626084623.db2.gz YZDRCRFVURAVLJ-VMBOVVBDSA-N 2 1 302.466 3.174 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000839822058 626137249 /nfs/dbraw/zinc/13/72/49/626137249.db2.gz CZFSKVZHXCFNPK-UHFFFAOYSA-N 2 1 323.456 3.338 20 0 DGADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592723 626157091 /nfs/dbraw/zinc/15/70/91/626157091.db2.gz AJQZLVUIYBRXGL-RDJZCZTQSA-N 2 1 319.880 3.492 20 0 DGADMP COCc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798956967 626262192 /nfs/dbraw/zinc/26/21/92/626262192.db2.gz RWSZRSRKQPKCSZ-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCOc4ccccc43)C2)CC1 ZINC000798956680 626262465 /nfs/dbraw/zinc/26/24/65/626262465.db2.gz JSCZBCYWNQMUBZ-QGZVFWFLSA-N 2 1 314.473 3.361 20 0 DGADMP Cc1cccc(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799176790 626277819 /nfs/dbraw/zinc/27/78/19/626277819.db2.gz FGJDXKDIXVNZGR-UHFFFAOYSA-N 2 1 302.462 3.182 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000800362616 626353803 /nfs/dbraw/zinc/35/38/03/626353803.db2.gz SNHYITABDBQUQX-XKQJLSEDSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000800362616 626353804 /nfs/dbraw/zinc/35/38/04/626353804.db2.gz SNHYITABDBQUQX-XKQJLSEDSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000800362616 626353806 /nfs/dbraw/zinc/35/38/06/626353806.db2.gz SNHYITABDBQUQX-XKQJLSEDSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000800362616 626353807 /nfs/dbraw/zinc/35/38/07/626353807.db2.gz SNHYITABDBQUQX-XKQJLSEDSA-N 2 1 310.869 3.036 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H](C)C1 ZINC000883254829 626625432 /nfs/dbraw/zinc/62/54/32/626625432.db2.gz DKPQSXSKRXNGPF-GJZGRUSLSA-N 2 1 318.452 3.148 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883262205 626627916 /nfs/dbraw/zinc/62/79/16/626627916.db2.gz ZZASOCIYIYNJNV-GUDVDZBRSA-N 2 1 314.473 3.198 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883262205 626627918 /nfs/dbraw/zinc/62/79/18/626627918.db2.gz ZZASOCIYIYNJNV-GUDVDZBRSA-N 2 1 314.473 3.198 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000883266726 626630066 /nfs/dbraw/zinc/63/00/66/626630066.db2.gz HYNIJRIUNOSIRH-UHFFFAOYSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883266726 626630067 /nfs/dbraw/zinc/63/00/67/626630067.db2.gz HYNIJRIUNOSIRH-UHFFFAOYSA-N 2 1 300.446 3.289 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883315677 626644156 /nfs/dbraw/zinc/64/41/56/626644156.db2.gz UJZKVFWWUSYUJT-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883315677 626644158 /nfs/dbraw/zinc/64/41/58/626644158.db2.gz UJZKVFWWUSYUJT-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883416401 626677726 /nfs/dbraw/zinc/67/77/26/626677726.db2.gz UDTDJPFXKOSKKT-WDSOQIARSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429505 626680074 /nfs/dbraw/zinc/68/00/74/626680074.db2.gz XMKSCOLMYYVDKC-HAGHYFMRSA-N 2 1 314.473 3.228 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883426847 626680189 /nfs/dbraw/zinc/68/01/89/626680189.db2.gz BJAXAGOSZDTQRN-QXAKKESOSA-N 2 1 302.462 3.358 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CC[C@@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434088 626681606 /nfs/dbraw/zinc/68/16/06/626681606.db2.gz GQFFWDMWPGINIA-NEWSRXKRSA-N 2 1 314.473 3.371 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437310 626682262 /nfs/dbraw/zinc/68/22/62/626682262.db2.gz OHVVUOAXCDFYBO-XWSJACJDSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437310 626682266 /nfs/dbraw/zinc/68/22/66/626682266.db2.gz OHVVUOAXCDFYBO-XWSJACJDSA-N 2 1 300.446 3.110 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458564 626685485 /nfs/dbraw/zinc/68/54/85/626685485.db2.gz OORGMZSCWUDHLD-UHFFFAOYSA-N 2 1 306.475 3.005 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458564 626685486 /nfs/dbraw/zinc/68/54/86/626685486.db2.gz OORGMZSCWUDHLD-UHFFFAOYSA-N 2 1 306.475 3.005 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138545 626701155 /nfs/dbraw/zinc/70/11/55/626701155.db2.gz XCFNHRWFFBMIGQ-DZGCQCFKSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138545 626701158 /nfs/dbraw/zinc/70/11/58/626701158.db2.gz XCFNHRWFFBMIGQ-DZGCQCFKSA-N 2 1 307.869 3.432 20 0 DGADMP C[N@H+](CCN[C@@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000925482760 626861082 /nfs/dbraw/zinc/86/10/82/626861082.db2.gz UZGRKWFKGPQGLZ-IBGZPJMESA-N 2 1 303.494 3.321 20 0 DGADMP C[N@@H+](CCN[C@@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000925482760 626861086 /nfs/dbraw/zinc/86/10/86/626861086.db2.gz UZGRKWFKGPQGLZ-IBGZPJMESA-N 2 1 303.494 3.321 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1 ZINC000809737275 626943456 /nfs/dbraw/zinc/94/34/56/626943456.db2.gz FENOZOBCOSAREQ-UHFFFAOYSA-N 2 1 308.429 3.028 20 0 DGADMP Cn1cnc2cc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)ccc21 ZINC000809738889 626944060 /nfs/dbraw/zinc/94/40/60/626944060.db2.gz NXHIEHCARXIHER-UHFFFAOYSA-N 2 1 322.456 3.267 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885960973 627070595 /nfs/dbraw/zinc/07/05/95/627070595.db2.gz RWNDCANQCBEOPX-RBUKOAKNSA-N 2 1 308.510 3.388 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCCC1 ZINC000886020581 627086282 /nfs/dbraw/zinc/08/62/82/627086282.db2.gz DCZJUSIMMHNFRX-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000886059942 627096404 /nfs/dbraw/zinc/09/64/04/627096404.db2.gz PLAISBPQLWUWHP-WMZOPIPTSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000886059942 627096408 /nfs/dbraw/zinc/09/64/08/627096408.db2.gz PLAISBPQLWUWHP-WMZOPIPTSA-N 2 1 312.461 3.027 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000886103115 627105530 /nfs/dbraw/zinc/10/55/30/627105530.db2.gz ZCCLIMBDQWMKBB-GOSISDBHSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000886103115 627105531 /nfs/dbraw/zinc/10/55/31/627105531.db2.gz ZCCLIMBDQWMKBB-GOSISDBHSA-N 2 1 316.489 3.400 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886171565 627116927 /nfs/dbraw/zinc/11/69/27/627116927.db2.gz JJUNPUCKMIVTAW-SJORKVTESA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886171565 627116929 /nfs/dbraw/zinc/11/69/29/627116929.db2.gz JJUNPUCKMIVTAW-SJORKVTESA-N 2 1 305.466 3.115 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522888 627156901 /nfs/dbraw/zinc/15/69/01/627156901.db2.gz SLAMHVIJIVIFMR-IPJUCJBFSA-N 3 1 318.509 3.214 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000886640244 627178370 /nfs/dbraw/zinc/17/83/70/627178370.db2.gz UZMPSFJLSUMRPK-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000886640244 627178372 /nfs/dbraw/zinc/17/83/72/627178372.db2.gz UZMPSFJLSUMRPK-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000886640244 627178375 /nfs/dbraw/zinc/17/83/75/627178375.db2.gz UZMPSFJLSUMRPK-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCN3CCc4ccccc43)CC2)[nH+]c1C ZINC000886661613 627183159 /nfs/dbraw/zinc/18/31/59/627183159.db2.gz YUEHIRKSALJSGI-UHFFFAOYSA-N 2 1 324.472 3.269 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCOc3cccc(F)c3)CC2)[nH+]c1C ZINC000886668723 627184827 /nfs/dbraw/zinc/18/48/27/627184827.db2.gz YQJBYIZBVCEUPW-UHFFFAOYSA-N 2 1 317.408 3.424 20 0 DGADMP Cc1csc(C[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000886694247 627192948 /nfs/dbraw/zinc/19/29/48/627192948.db2.gz RUDRFVBUHAXQBY-HOTGVXAUSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000886694247 627192949 /nfs/dbraw/zinc/19/29/49/627192949.db2.gz RUDRFVBUHAXQBY-HOTGVXAUSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000886694247 627192953 /nfs/dbraw/zinc/19/29/53/627192953.db2.gz RUDRFVBUHAXQBY-HOTGVXAUSA-N 2 1 307.507 3.190 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838140 627210567 /nfs/dbraw/zinc/21/05/67/627210567.db2.gz RTMRAXXCHYMPTR-FGTMMUONSA-N 2 1 306.494 3.047 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000886840020 627211215 /nfs/dbraw/zinc/21/12/15/627211215.db2.gz REFDJQLDRLCFDL-ZWKOTPCHSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000887134131 627227914 /nfs/dbraw/zinc/22/79/14/627227914.db2.gz CONNNJVOLVEEGY-OCCSQVGLSA-N 2 1 314.260 3.176 20 0 DGADMP CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC000813790054 627512138 /nfs/dbraw/zinc/51/21/38/627512138.db2.gz HMMZVPTZYAOXAJ-YQQQUEKLSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790784 627512377 /nfs/dbraw/zinc/51/23/77/627512377.db2.gz XYNNYKAYFBWELJ-VNVJMFPYSA-N 2 1 314.473 3.339 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000814910510 627606871 /nfs/dbraw/zinc/60/68/71/627606871.db2.gz YVSAMHWGSOVSHX-IBGZPJMESA-N 2 1 311.429 3.166 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000815057210 627620273 /nfs/dbraw/zinc/62/02/73/627620273.db2.gz OWCSGFHIODTNAQ-SYNHAJSKSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@H+]1C ZINC000815057210 627620276 /nfs/dbraw/zinc/62/02/76/627620276.db2.gz OWCSGFHIODTNAQ-SYNHAJSKSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057210 627620281 /nfs/dbraw/zinc/62/02/81/627620281.db2.gz OWCSGFHIODTNAQ-SYNHAJSKSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057210 627620283 /nfs/dbraw/zinc/62/02/83/627620283.db2.gz OWCSGFHIODTNAQ-SYNHAJSKSA-N 2 1 312.457 3.288 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(C)c1Cl ZINC000815114463 627628119 /nfs/dbraw/zinc/62/81/19/627628119.db2.gz NWGBGNSBEGRZJI-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(C)c1Cl ZINC000815114463 627628121 /nfs/dbraw/zinc/62/81/21/627628121.db2.gz NWGBGNSBEGRZJI-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)on1 ZINC000924582352 627651795 /nfs/dbraw/zinc/65/17/95/627651795.db2.gz KKIKPGIIFQPVBY-AWEZNQCLSA-N 2 1 315.417 3.130 20 0 DGADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924700373 627670041 /nfs/dbraw/zinc/67/00/41/627670041.db2.gz YHILWDOTZVQTQN-MRXNPFEDSA-N 2 1 310.445 3.100 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCc2c1nccc2Cl)C[NH+]1CCCCC1 ZINC000924720194 627673522 /nfs/dbraw/zinc/67/35/22/627673522.db2.gz GULXFRXMNNUGQR-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000815576191 627686033 /nfs/dbraw/zinc/68/60/33/627686033.db2.gz LTOUEXVNFLBRGX-MRXNPFEDSA-N 2 1 321.484 3.058 20 0 DGADMP C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924844385 627686282 /nfs/dbraw/zinc/68/62/82/627686282.db2.gz TYTSYAPEBJHBNP-INIZCTEOSA-N 2 1 315.505 3.416 20 0 DGADMP C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924844385 627686284 /nfs/dbraw/zinc/68/62/84/627686284.db2.gz TYTSYAPEBJHBNP-INIZCTEOSA-N 2 1 315.505 3.416 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000815578477 627687019 /nfs/dbraw/zinc/68/70/19/627687019.db2.gz OZYDLAFLYOQAGE-RDJZCZTQSA-N 2 1 308.441 3.022 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000924855151 627687613 /nfs/dbraw/zinc/68/76/13/627687613.db2.gz VTSBLRJZIWNQPS-ZHALLVOQSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873421 627689081 /nfs/dbraw/zinc/68/90/81/627689081.db2.gz LDKCDGSFRCSATL-CABCVRRESA-N 2 1 316.474 3.101 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873421 627689084 /nfs/dbraw/zinc/68/90/84/627689084.db2.gz LDKCDGSFRCSATL-CABCVRRESA-N 2 1 316.474 3.101 20 0 DGADMP CSC1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000924873048 627689356 /nfs/dbraw/zinc/68/93/56/627689356.db2.gz JNFWLBUAYYSECA-HLIUYOAVSA-N 2 1 310.532 3.444 20 0 DGADMP CSC1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000924873048 627689357 /nfs/dbraw/zinc/68/93/57/627689357.db2.gz JNFWLBUAYYSECA-HLIUYOAVSA-N 2 1 310.532 3.444 20 0 DGADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616209 627690833 /nfs/dbraw/zinc/69/08/33/627690833.db2.gz JABDIQQLUHBKHN-KBXCAEBGSA-N 2 1 322.518 3.294 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1SC(C)(C)C ZINC000815616209 627690835 /nfs/dbraw/zinc/69/08/35/627690835.db2.gz JABDIQQLUHBKHN-KBXCAEBGSA-N 2 1 322.518 3.294 20 0 DGADMP COc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000815657411 627695901 /nfs/dbraw/zinc/69/59/01/627695901.db2.gz XWRZFRJEIVVIKP-GOOCMWNKSA-N 2 1 308.853 3.106 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924950235 627696587 /nfs/dbraw/zinc/69/65/87/627696587.db2.gz IMZPCNSVMAFNDR-NHYWBVRUSA-N 2 1 304.825 3.153 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925008505 627700397 /nfs/dbraw/zinc/70/03/97/627700397.db2.gz DDMLFLHPHOKBBA-NHCUHLMSSA-N 2 1 323.484 3.167 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925221409 627720530 /nfs/dbraw/zinc/72/05/30/627720530.db2.gz NGMCPYYWBXUMGX-BXWFABGCSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925221409 627720534 /nfs/dbraw/zinc/72/05/34/627720534.db2.gz NGMCPYYWBXUMGX-BXWFABGCSA-N 2 1 310.445 3.038 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509549 627744371 /nfs/dbraw/zinc/74/43/71/627744371.db2.gz PBABKJBIFHXYCB-KSZLIROESA-N 2 1 300.446 3.268 20 0 DGADMP C[C@H]([NH3+])[C@H](NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000925529189 627748317 /nfs/dbraw/zinc/74/83/17/627748317.db2.gz WWVITCXEUZWOFJ-XKQJLSEDSA-N 2 1 303.475 3.029 20 0 DGADMP CO[C@@H](C)c1nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000925544194 627751446 /nfs/dbraw/zinc/75/14/46/627751446.db2.gz YPGQYLQFMPITNW-XJKSGUPXSA-N 2 1 319.474 3.420 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925554315 627753672 /nfs/dbraw/zinc/75/36/72/627753672.db2.gz XYDNFKKNGAFJFR-MISYRCLQSA-N 3 1 321.553 3.256 20 0 DGADMP c1coc([C@@H](CN[C@@H]2CC[NH2+]C23CCCC3)[NH+]2CCCCC2)c1 ZINC000925610979 627761889 /nfs/dbraw/zinc/76/18/89/627761889.db2.gz JXUISXMDSPHIHV-SJLPKXTDSA-N 2 1 317.477 3.071 20 0 DGADMP FC(F)Oc1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925650753 627770191 /nfs/dbraw/zinc/77/01/91/627770191.db2.gz XVQHAWIJXBTMOO-HNNXBMFYSA-N 2 1 310.388 3.095 20 0 DGADMP COCCCC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000925664225 627773499 /nfs/dbraw/zinc/77/34/99/627773499.db2.gz XFYXZFZMEYAXOS-SIRBJWHBSA-N 2 1 314.473 3.130 20 0 DGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925675728 627775205 /nfs/dbraw/zinc/77/52/05/627775205.db2.gz OWEVLNGOBCXNDC-ZKMMKTNZSA-N 2 1 302.849 3.172 20 0 DGADMP [NH3+]CCC[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707694 627779127 /nfs/dbraw/zinc/77/91/27/627779127.db2.gz QMBMNHDSCVQLHA-UYAOXDASSA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCC[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707694 627779131 /nfs/dbraw/zinc/77/91/31/627779131.db2.gz QMBMNHDSCVQLHA-UYAOXDASSA-N 2 1 315.505 3.463 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccnc2ccccc12)c1ccccc1 ZINC000925709429 627779620 /nfs/dbraw/zinc/77/96/20/627779620.db2.gz UJNDXMNJTWBZNG-YWZLYKJASA-N 2 1 305.425 3.455 20 0 DGADMP Cc1cc2c(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)c[nH]c2cc1F ZINC000925722583 627781993 /nfs/dbraw/zinc/78/19/93/627781993.db2.gz MEMLWHFDKLEPGE-QGZVFWFLSA-N 2 1 301.409 3.032 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747486 627786288 /nfs/dbraw/zinc/78/62/88/627786288.db2.gz IPWBOMIMBWXXJT-NFAWXSAZSA-N 2 1 307.507 3.421 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000925759563 627790012 /nfs/dbraw/zinc/79/00/12/627790012.db2.gz PBMSNDXAZCAPLT-AWEZNQCLSA-N 2 1 304.434 3.112 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773757 627793238 /nfs/dbraw/zinc/79/32/38/627793238.db2.gz PARPWKKTTHODKV-BZSNNMDCSA-N 2 1 300.446 3.029 20 0 DGADMP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777707 627793923 /nfs/dbraw/zinc/79/39/23/627793923.db2.gz GHJFOENSZUGSJF-ZWNOBZJWSA-N 2 1 316.392 3.197 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(F)c1 ZINC000925781991 627794287 /nfs/dbraw/zinc/79/42/87/627794287.db2.gz JQIAUIFJYVQWKP-MWLCHTKSSA-N 2 1 306.759 3.375 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(F)c1 ZINC000925784924 627795599 /nfs/dbraw/zinc/79/55/99/627795599.db2.gz SZHKVHQAKVBJRT-IUODEOHRSA-N 2 1 318.358 3.496 20 0 DGADMP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796263 627796945 /nfs/dbraw/zinc/79/69/45/627796945.db2.gz LQRNGKILGUSILU-BRWVUGGUSA-N 2 1 308.510 3.340 20 0 DGADMP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCCN1 ZINC000925821712 627800579 /nfs/dbraw/zinc/80/05/79/627800579.db2.gz HWRFIOATMZYRQA-YBXZHIRMSA-N 2 1 307.526 3.294 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925844568 627804787 /nfs/dbraw/zinc/80/47/87/627804787.db2.gz UZINVRDXASGLTO-CDHQVMDDSA-N 3 1 324.472 3.364 20 0 DGADMP CCC[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccsc1 ZINC000925848054 627805914 /nfs/dbraw/zinc/80/59/14/627805914.db2.gz ZHCJFJSEAFABBF-KRWDZBQOSA-N 2 1 309.523 3.254 20 0 DGADMP CCn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925887650 627812417 /nfs/dbraw/zinc/81/24/17/627812417.db2.gz JBKVJPPAYYYXLY-GOSISDBHSA-N 2 1 318.509 3.381 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(O)c3Cl)C2)CC1 ZINC000816598806 627813467 /nfs/dbraw/zinc/81/34/67/627813467.db2.gz QQXHEVHMZCXARS-UHFFFAOYSA-N 2 1 308.853 3.353 20 0 DGADMP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000816648448 627820347 /nfs/dbraw/zinc/82/03/47/627820347.db2.gz KTXUGNWVECPFEJ-JKSUJKDBSA-N 2 1 301.478 3.057 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1C ZINC000816648445 627820400 /nfs/dbraw/zinc/82/04/00/627820400.db2.gz KTXUGNWVECPFEJ-CVEARBPZSA-N 2 1 301.478 3.057 20 0 DGADMP C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120227 627847525 /nfs/dbraw/zinc/84/75/25/627847525.db2.gz WCTKIVSCGIKDGY-HKTRWPPQSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccnnc1 ZINC000926146000 627850832 /nfs/dbraw/zinc/85/08/32/627850832.db2.gz IRYASLSNFKSLMV-KCUHQSDYSA-N 2 1 322.456 3.038 20 0 DGADMP Cc1cccc2c1[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000926289100 627874766 /nfs/dbraw/zinc/87/47/66/627874766.db2.gz ZRNAGFWFRKKJLO-AEFFLSMTSA-N 2 1 302.462 3.073 20 0 DGADMP C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926336823 627881392 /nfs/dbraw/zinc/88/13/92/627881392.db2.gz HUENAKVRDHMYTC-DZIBYMRMSA-N 2 1 315.505 3.416 20 0 DGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926336823 627881394 /nfs/dbraw/zinc/88/13/94/627881394.db2.gz HUENAKVRDHMYTC-DZIBYMRMSA-N 3 1 315.505 3.416 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)C1CC1 ZINC000926559397 627914406 /nfs/dbraw/zinc/91/44/06/627914406.db2.gz NDAVZWDWSFXGHS-QFBILLFUSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1COCc2cccc(Cl)c21)C1CC1 ZINC000926561576 627914968 /nfs/dbraw/zinc/91/49/68/627914968.db2.gz ZFXFCSXGLVPWGC-INIZCTEOSA-N 2 1 308.853 3.375 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926571684 627916585 /nfs/dbraw/zinc/91/65/85/627916585.db2.gz AFQIYCDPSIHNSX-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926573047 627916656 /nfs/dbraw/zinc/91/66/56/627916656.db2.gz IYXIMRZUKJFJJI-LMMKCTJWSA-N 2 1 301.478 3.114 20 0 DGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926718695 627939560 /nfs/dbraw/zinc/93/95/60/627939560.db2.gz LXNIZVDQXQEKHG-AYBZRNKSSA-N 2 1 306.494 3.354 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738932 627943513 /nfs/dbraw/zinc/94/35/13/627943513.db2.gz NMTWPMJQQPMXHF-SJORKVTESA-N 2 1 317.477 3.253 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738932 627943518 /nfs/dbraw/zinc/94/35/18/627943518.db2.gz NMTWPMJQQPMXHF-SJORKVTESA-N 2 1 317.477 3.253 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926778248 627951903 /nfs/dbraw/zinc/95/19/03/627951903.db2.gz OQAHRTLEYMLLCF-VROUVPMXSA-N 2 1 316.489 3.015 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000926779012 627952130 /nfs/dbraw/zinc/95/21/30/627952130.db2.gz UMBPWRBSSIUJDJ-NSHGMRRFSA-N 2 1 323.484 3.370 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000817905686 627958212 /nfs/dbraw/zinc/95/82/12/627958212.db2.gz MEDVTXFDYZRRPI-HZSPNIEDSA-N 2 1 317.260 3.276 20 0 DGADMP C[C@]1(CN[C@@H]2CCCCC[C@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927273 627964075 /nfs/dbraw/zinc/96/40/75/627964075.db2.gz DROGDNMJOIRWRJ-VAMGGRTRSA-N 2 1 315.505 3.148 20 0 DGADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1-c1ccccc1 ZINC000817937219 627966775 /nfs/dbraw/zinc/96/67/75/627966775.db2.gz VPJQZEOTSMIQNM-HNNXBMFYSA-N 2 1 312.461 3.493 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C3CC4(C3)CCCC4)C2)[C@H]1C(C)C ZINC000926877695 627968133 /nfs/dbraw/zinc/96/81/33/627968133.db2.gz CZMKFWAYUQDTDD-MLYOOKFZSA-N 2 1 320.521 3.169 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])ccc1SC(F)F ZINC000817959627 627974578 /nfs/dbraw/zinc/97/45/78/627974578.db2.gz DUDRRCHHSYTZMW-SECBINFHSA-N 2 1 304.406 3.398 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817963981 627977031 /nfs/dbraw/zinc/97/70/31/627977031.db2.gz ZTTDDLPHWLGDKX-GDBMZVCRSA-N 2 1 319.449 3.201 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977986 627981430 /nfs/dbraw/zinc/98/14/30/627981430.db2.gz SKMJCCUWBGIHLF-OAGGEKHMSA-N 3 1 319.493 3.067 20 0 DGADMP CC1([NH+]2CCC2)CCC([NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000927035877 628000770 /nfs/dbraw/zinc/00/07/70/628000770.db2.gz CMLGLODHZWNODP-WHFFVUSVSA-N 2 1 318.436 3.455 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000818960378 628068331 /nfs/dbraw/zinc/06/83/31/628068331.db2.gz YSZKFKMACUYYDF-QAPCUYQASA-N 2 1 324.896 3.475 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1cc(F)ccc1F)C(C)C ZINC000819126349 628096010 /nfs/dbraw/zinc/09/60/10/628096010.db2.gz OJPBFRNYGZKTMG-KRWDZBQOSA-N 2 1 314.420 3.097 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000819930855 628200784 /nfs/dbraw/zinc/20/07/84/628200784.db2.gz ZAPRTTQBUWICNB-MRXNPFEDSA-N 2 1 311.429 3.191 20 0 DGADMP c1[nH]c2ccccc2c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820805699 628298438 /nfs/dbraw/zinc/29/84/38/628298438.db2.gz PUYSHSYCVIOWCI-ZNXRZULTSA-N 2 1 309.457 3.458 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820813006 628300269 /nfs/dbraw/zinc/30/02/69/628300269.db2.gz WSZDHFSKVWRLPW-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820813006 628300272 /nfs/dbraw/zinc/30/02/72/628300272.db2.gz WSZDHFSKVWRLPW-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000822476582 628455616 /nfs/dbraw/zinc/45/56/16/628455616.db2.gz PPYSAGKOXCJHDV-RCCFBDPRSA-N 2 1 304.503 3.382 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000834585380 629735274 /nfs/dbraw/zinc/73/52/74/629735274.db2.gz OGHZWHSGBXBLMT-MOPGFXCFSA-N 2 1 306.494 3.188 20 0 DGADMP COCc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000840807918 630360828 /nfs/dbraw/zinc/36/08/28/630360828.db2.gz IGEDRKNIZXILIU-HOTGVXAUSA-N 2 1 320.477 3.224 20 0 DGADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCc2ccccc2F)cc1)C1CC1 ZINC000841051237 630402534 /nfs/dbraw/zinc/40/25/34/630402534.db2.gz WYHPHXALKZVWHM-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c(Cl)nc21 ZINC000841055771 630403095 /nfs/dbraw/zinc/40/30/95/630403095.db2.gz WDTUNCBXZOWWNG-UONOGXRCSA-N 2 1 321.856 3.025 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000841054567 630403262 /nfs/dbraw/zinc/40/32/62/630403262.db2.gz FMIFEDIXMAVEJW-KGLIPLIRSA-N 2 1 318.852 3.194 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)oc21 ZINC000841090125 630406665 /nfs/dbraw/zinc/40/66/65/630406665.db2.gz WEJBAJHZPSWYDY-AWEZNQCLSA-N 2 1 300.402 3.206 20 0 DGADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471725 630538794 /nfs/dbraw/zinc/53/87/94/630538794.db2.gz VFWXTTJNBJGZMK-MRXNPFEDSA-N 2 1 315.465 3.169 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000842471456 630538915 /nfs/dbraw/zinc/53/89/15/630538915.db2.gz CEVYLDIWXZUXSM-MAUKXSAKSA-N 2 1 310.441 3.357 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000842476477 630539558 /nfs/dbraw/zinc/53/95/58/630539558.db2.gz PMFAPBKJQFVMJH-KRWDZBQOSA-N 2 1 314.477 3.410 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000843047858 630608500 /nfs/dbraw/zinc/60/85/00/630608500.db2.gz ZAZJPYCMLGIMFI-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000843047858 630608501 /nfs/dbraw/zinc/60/85/01/630608501.db2.gz ZAZJPYCMLGIMFI-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000843065981 630610271 /nfs/dbraw/zinc/61/02/71/630610271.db2.gz ODVPTVLRBPEAKB-YESZJQIVSA-N 2 1 322.518 3.416 20 0 DGADMP FC(F)Sc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000843125939 630616345 /nfs/dbraw/zinc/61/63/45/630616345.db2.gz DALITITVURWPOJ-OKILXGFUSA-N 2 1 312.429 3.433 20 0 DGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126966 630616590 /nfs/dbraw/zinc/61/65/90/630616590.db2.gz NMPMGZAFBXYIEI-FUHWJXTLSA-N 2 1 309.457 3.446 20 0 DGADMP Brc1cccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843128287 630617289 /nfs/dbraw/zinc/61/72/89/630617289.db2.gz JPFPPFRIWFXOIQ-HNNXBMFYSA-N 2 1 323.278 3.256 20 0 DGADMP C[C@H]([NH2+]C1CC1)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843173824 630625864 /nfs/dbraw/zinc/62/58/64/630625864.db2.gz SUZCBGYXPLYTCA-ZDUSSCGKSA-N 2 1 312.417 3.145 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354036 630648979 /nfs/dbraw/zinc/64/89/79/630648979.db2.gz RYVJIISLIMNBQD-UHFFFAOYSA-N 2 1 317.477 3.259 20 0 DGADMP COc1ccc(-c2nc(C[N@@H+](C)C3CCC([NH3+])CC3)co2)cc1 ZINC000843355764 630649196 /nfs/dbraw/zinc/64/91/96/630649196.db2.gz WPQDAXVCCKSMSP-UHFFFAOYSA-N 2 1 315.417 3.052 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCCC[NH3+])C1 ZINC000844222101 630713003 /nfs/dbraw/zinc/71/30/03/630713003.db2.gz UIIGKCJNPKFUAC-RBUKOAKNSA-N 2 1 309.542 3.482 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000844222101 630713004 /nfs/dbraw/zinc/71/30/04/630713004.db2.gz UIIGKCJNPKFUAC-RBUKOAKNSA-N 2 1 309.542 3.482 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844222101 630713005 /nfs/dbraw/zinc/71/30/05/630713005.db2.gz UIIGKCJNPKFUAC-RBUKOAKNSA-N 3 1 309.542 3.482 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000844913029 630978735 /nfs/dbraw/zinc/97/87/35/630978735.db2.gz XMMTUASXYFMTRV-NUEKZKHPSA-N 2 1 323.506 3.127 20 0 DGADMP C[NH2+]CCC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000846223581 631215582 /nfs/dbraw/zinc/21/55/82/631215582.db2.gz XWEFKDLEBKMSNX-FQEVSTJZSA-N 2 1 312.457 3.140 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000846814540 631316075 /nfs/dbraw/zinc/31/60/75/631316075.db2.gz RZWPIHSUSCQZAB-UHFFFAOYSA-N 2 1 301.409 3.371 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NC2CCC2)C1 ZINC000848985385 631797519 /nfs/dbraw/zinc/79/75/19/631797519.db2.gz KDPSZGGECWISMN-HNNXBMFYSA-N 2 1 314.477 3.085 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000848985367 631797554 /nfs/dbraw/zinc/79/75/54/631797554.db2.gz AAJXIDKLOQMRBK-CVEARBPZSA-N 2 1 316.493 3.331 20 0 DGADMP CCCCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849046924 631817947 /nfs/dbraw/zinc/81/79/47/631817947.db2.gz YZOFSMUQSGVZAB-MSOLQXFVSA-N 2 1 316.493 3.026 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000849096687 631834003 /nfs/dbraw/zinc/83/40/03/631834003.db2.gz JJSXTHSBQYDJOL-GJZGRUSLSA-N 2 1 302.466 3.478 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C1=CCCCC1 ZINC000849092576 631834053 /nfs/dbraw/zinc/83/40/53/631834053.db2.gz QYIPZDPBKUEVIJ-MRXNPFEDSA-N 2 1 306.498 3.111 20 0 DGADMP COc1ccc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000849117134 631839302 /nfs/dbraw/zinc/83/93/02/631839302.db2.gz ZLTVAEIWSIJNIN-GFCCVEGCSA-N 2 1 324.856 3.017 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425603 632148667 /nfs/dbraw/zinc/14/86/67/632148667.db2.gz VWSWOLKKQVVMFM-BMGDILEWSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425603 632148668 /nfs/dbraw/zinc/14/86/68/632148668.db2.gz VWSWOLKKQVVMFM-BMGDILEWSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425603 632148669 /nfs/dbraw/zinc/14/86/69/632148669.db2.gz VWSWOLKKQVVMFM-BMGDILEWSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425603 632148670 /nfs/dbraw/zinc/14/86/70/632148670.db2.gz VWSWOLKKQVVMFM-BMGDILEWSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+]CC1SCCS1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850560553 632193953 /nfs/dbraw/zinc/19/39/53/632193953.db2.gz LQEXKINPUAAMGY-HOCLYGCPSA-N 2 1 322.543 3.293 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572368 632198276 /nfs/dbraw/zinc/19/82/76/632198276.db2.gz CFFNBLTWDUWMMH-NKGKWGDASA-N 2 1 324.896 3.470 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572368 632198280 /nfs/dbraw/zinc/19/82/80/632198280.db2.gz CFFNBLTWDUWMMH-NKGKWGDASA-N 2 1 324.896 3.470 20 0 DGADMP CC1(C)OC[C@@H](CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750263 632485472 /nfs/dbraw/zinc/48/54/72/632485472.db2.gz BZYCJHRMQFRIFX-QZTJIDSGSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851813293 632501451 /nfs/dbraw/zinc/50/14/51/632501451.db2.gz RPMDFGIZERBUMA-AEFFLSMTSA-N 2 1 324.509 3.114 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCc4ccccc4OC3)CC[NH2+]2)cc1 ZINC000423115360 660489892 /nfs/dbraw/zinc/48/98/92/660489892.db2.gz NCHNESAENJROQH-AABGKKOBSA-N 2 1 322.452 3.463 20 0 DGADMP CSC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000706888636 660879900 /nfs/dbraw/zinc/87/99/00/660879900.db2.gz OYORTISAQKQZOI-KUQKPQIMSA-N 2 1 304.503 3.381 20 0 DGADMP CSC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000706888636 660879903 /nfs/dbraw/zinc/87/99/03/660879903.db2.gz OYORTISAQKQZOI-KUQKPQIMSA-N 2 1 304.503 3.381 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)nn2C)c1 ZINC000793525995 661041704 /nfs/dbraw/zinc/04/17/04/661041704.db2.gz LFBOTOXNFCWYCB-HNNXBMFYSA-N 2 1 300.450 3.031 20 0 DGADMP CC(C)[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000794715886 661101004 /nfs/dbraw/zinc/10/10/04/661101004.db2.gz ZFILJAYUVUGBLV-HXUWFJFHSA-N 2 1 317.521 3.043 20 0 DGADMP CC(C)[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000794715885 661101028 /nfs/dbraw/zinc/10/10/28/661101028.db2.gz ZFILJAYUVUGBLV-FQEVSTJZSA-N 2 1 317.521 3.043 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000795893510 661177622 /nfs/dbraw/zinc/17/76/22/661177622.db2.gz UEJYFLAJQNKZNB-LJQANCHMSA-N 2 1 304.478 3.162 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735391 655731374 /nfs/dbraw/zinc/73/13/74/655731374.db2.gz XHUNKCSBWHBLDZ-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735391 655731375 /nfs/dbraw/zinc/73/13/75/655731375.db2.gz XHUNKCSBWHBLDZ-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735391 655731376 /nfs/dbraw/zinc/73/13/76/655731376.db2.gz XHUNKCSBWHBLDZ-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP Cc1cccnc1[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000934286440 655763435 /nfs/dbraw/zinc/76/34/35/655763435.db2.gz FXEQQBAITDFSBX-KRWDZBQOSA-N 2 1 300.450 3.433 20 0 DGADMP c1csc(-c2ncc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)s2)c1 ZINC000262100242 655781540 /nfs/dbraw/zinc/78/15/40/655781540.db2.gz VOESQVZQJJRMCJ-UHFFFAOYSA-N 2 1 319.499 3.447 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000051756297 655784057 /nfs/dbraw/zinc/78/40/57/655784057.db2.gz UMIAIOAQTQHDEJ-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554100 655786398 /nfs/dbraw/zinc/78/63/98/655786398.db2.gz AAOYLGFGIQQIRJ-CRAIPNDOSA-N 2 1 304.482 3.208 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554100 655786400 /nfs/dbraw/zinc/78/64/00/655786400.db2.gz AAOYLGFGIQQIRJ-CRAIPNDOSA-N 2 1 304.482 3.208 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1Br ZINC000051919514 655794587 /nfs/dbraw/zinc/79/45/87/655794587.db2.gz QXBYHJPUMGOMGH-CYBMUJFWSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277415 656095236 /nfs/dbraw/zinc/09/52/36/656095236.db2.gz IXXMYWAZOKGDTD-MRXNPFEDSA-N 2 1 308.514 3.126 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000188067507 656143398 /nfs/dbraw/zinc/14/33/98/656143398.db2.gz AEQLFCRFVXDBHW-QWHCGFSZSA-N 2 1 311.813 3.211 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1coc(C(C)(C)C)n1)CC2 ZINC000931467414 656282274 /nfs/dbraw/zinc/28/22/74/656282274.db2.gz JOPCAMILKWVJNJ-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000162806091 656287494 /nfs/dbraw/zinc/28/74/94/656287494.db2.gz AYTKDEFJTRGGPP-UHFFFAOYSA-N 2 1 323.444 3.343 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000162806091 656287496 /nfs/dbraw/zinc/28/74/96/656287496.db2.gz AYTKDEFJTRGGPP-UHFFFAOYSA-N 2 1 323.444 3.343 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000313562904 656292632 /nfs/dbraw/zinc/29/26/32/656292632.db2.gz AYUPXOAZFCSGJQ-WMQCIHAUSA-N 2 1 324.468 3.363 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000313562904 656292635 /nfs/dbraw/zinc/29/26/35/656292635.db2.gz AYUPXOAZFCSGJQ-WMQCIHAUSA-N 2 1 324.468 3.363 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000723679646 656499273 /nfs/dbraw/zinc/49/92/73/656499273.db2.gz FCTZGUGDGROCGK-QGZVFWFLSA-N 2 1 310.441 3.436 20 0 DGADMP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261537727 656905159 /nfs/dbraw/zinc/90/51/59/656905159.db2.gz UCUZNGPPIZZKLO-WMQCIHAUSA-N 2 1 321.468 3.385 20 0 DGADMP [NH3+][C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261537725 656905492 /nfs/dbraw/zinc/90/54/92/656905492.db2.gz UCUZNGPPIZZKLO-IOMROCGXSA-N 2 1 321.468 3.385 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261548676 656907194 /nfs/dbraw/zinc/90/71/94/656907194.db2.gz NVGMXQNUFBQLLT-LPHOPBHVSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248582539 657031779 /nfs/dbraw/zinc/03/17/79/657031779.db2.gz OZCGLDUPPGWGGZ-YZVOILCLSA-N 2 1 320.452 3.102 20 0 DGADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ncccc12 ZINC000261946538 657233568 /nfs/dbraw/zinc/23/35/68/657233568.db2.gz FLZSKKUEABFYDX-UHFFFAOYSA-N 2 1 315.848 3.464 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000261970116 657268578 /nfs/dbraw/zinc/26/85/78/657268578.db2.gz YVZUUAJMNOXLOV-RRQGHBQHSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000261970116 657268583 /nfs/dbraw/zinc/26/85/83/657268583.db2.gz YVZUUAJMNOXLOV-RRQGHBQHSA-N 2 1 315.392 3.040 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000261976636 657269157 /nfs/dbraw/zinc/26/91/57/657269157.db2.gz QXGVAMBZURIAEA-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP CCOc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453004 657391778 /nfs/dbraw/zinc/39/17/78/657391778.db2.gz DQWMGGWETUSJHS-CALCHBBNSA-N 2 1 320.477 3.064 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000895377398 657443199 /nfs/dbraw/zinc/44/31/99/657443199.db2.gz FTIMULMGZLDQPX-BEFAXECRSA-N 2 1 312.461 3.182 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000895377398 657443203 /nfs/dbraw/zinc/44/32/03/657443203.db2.gz FTIMULMGZLDQPX-BEFAXECRSA-N 2 1 312.461 3.182 20 0 DGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963432005 658215429 /nfs/dbraw/zinc/21/54/29/658215429.db2.gz GERVXEHCCLPIPG-ABHNRTSZSA-N 2 1 323.525 3.017 20 0 DGADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1Br ZINC000157106393 658986835 /nfs/dbraw/zinc/98/68/35/658986835.db2.gz MQPPJNARJCAAKY-UHFFFAOYSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1[nH]c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000929645018 659501939 /nfs/dbraw/zinc/50/19/39/659501939.db2.gz ZWIQQPUYKZIGTN-PBHICJAKSA-N 2 1 304.482 3.113 20 0 DGADMP Cc1[nH]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000929645018 659501942 /nfs/dbraw/zinc/50/19/42/659501942.db2.gz ZWIQQPUYKZIGTN-PBHICJAKSA-N 2 1 304.482 3.113 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000929645019 659502055 /nfs/dbraw/zinc/50/20/55/659502055.db2.gz ZWIQQPUYKZIGTN-RHSMWYFYSA-N 2 1 304.482 3.113 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)[nH+]1 ZINC000929645019 659502060 /nfs/dbraw/zinc/50/20/60/659502060.db2.gz ZWIQQPUYKZIGTN-RHSMWYFYSA-N 2 1 304.482 3.113 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)noc2CC)CC1 ZINC000929294149 661294866 /nfs/dbraw/zinc/29/48/66/661294866.db2.gz AQWLWHRBWBAKOW-UHFFFAOYSA-N 2 1 307.482 3.489 20 0 DGADMP COC/C(C)=C/C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000929485935 661311541 /nfs/dbraw/zinc/31/15/41/661311541.db2.gz QAHOJNCHPUXULH-GIJQJNRQSA-N 2 1 316.489 3.423 20 0 DGADMP C[C@H](c1ncccn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000929485952 661311964 /nfs/dbraw/zinc/31/19/64/661311964.db2.gz QFHGTGWJEVMYSR-QGZVFWFLSA-N 2 1 324.472 3.382 20 0 DGADMP C[C@H](c1ncccn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000929485952 661311967 /nfs/dbraw/zinc/31/19/67/661311967.db2.gz QFHGTGWJEVMYSR-QGZVFWFLSA-N 2 1 324.472 3.382 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929762340 661335750 /nfs/dbraw/zinc/33/57/50/661335750.db2.gz FHHPAIONRADTAL-ZWKOTPCHSA-N 2 1 306.494 3.142 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000929808066 661340626 /nfs/dbraw/zinc/34/06/26/661340626.db2.gz REZBVSKWVRFZCV-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000929808066 661340627 /nfs/dbraw/zinc/34/06/27/661340627.db2.gz REZBVSKWVRFZCV-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808066 661340628 /nfs/dbraw/zinc/34/06/28/661340628.db2.gz REZBVSKWVRFZCV-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808066 661340629 /nfs/dbraw/zinc/34/06/29/661340629.db2.gz REZBVSKWVRFZCV-FUHWJXTLSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000929808070 661340645 /nfs/dbraw/zinc/34/06/45/661340645.db2.gz REZBVSKWVRFZCV-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000929808070 661340646 /nfs/dbraw/zinc/34/06/46/661340646.db2.gz REZBVSKWVRFZCV-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808070 661340647 /nfs/dbraw/zinc/34/06/47/661340647.db2.gz REZBVSKWVRFZCV-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808070 661340648 /nfs/dbraw/zinc/34/06/48/661340648.db2.gz REZBVSKWVRFZCV-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000929806917 661340761 /nfs/dbraw/zinc/34/07/61/661340761.db2.gz LXRYBLDJRXLDKH-DFQSSKMNSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929806917 661340764 /nfs/dbraw/zinc/34/07/64/661340764.db2.gz LXRYBLDJRXLDKH-DFQSSKMNSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929806917 661340766 /nfs/dbraw/zinc/34/07/66/661340766.db2.gz LXRYBLDJRXLDKH-DFQSSKMNSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842014 661343712 /nfs/dbraw/zinc/34/37/12/661343712.db2.gz AVTXLTCHDZSCGO-YNIZLOQISA-N 2 1 314.473 3.150 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842014 661343715 /nfs/dbraw/zinc/34/37/15/661343715.db2.gz AVTXLTCHDZSCGO-YNIZLOQISA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842014 661343716 /nfs/dbraw/zinc/34/37/16/661343716.db2.gz AVTXLTCHDZSCGO-YNIZLOQISA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842014 661343718 /nfs/dbraw/zinc/34/37/18/661343718.db2.gz AVTXLTCHDZSCGO-YNIZLOQISA-N 2 1 314.473 3.150 20 0 DGADMP c1cc2ccc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cc2[nH]1 ZINC000930803690 661431058 /nfs/dbraw/zinc/43/10/58/661431058.db2.gz BUUBNDUMNIQECD-UHFFFAOYSA-N 2 1 306.413 3.275 20 0 DGADMP CCCC[N@@H+](C[C@@H](COC)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034646 661447210 /nfs/dbraw/zinc/44/72/10/661447210.db2.gz WEKKLCNNBLVJPW-INIZCTEOSA-N 2 1 314.514 3.059 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C)nnc1C ZINC000931271339 661463359 /nfs/dbraw/zinc/46/33/59/661463359.db2.gz HZZCEFVSXKCRTC-UHFFFAOYSA-N 2 1 312.461 3.177 20 0 DGADMP Clc1ccc(CCN2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285609 661463969 /nfs/dbraw/zinc/46/39/69/661463969.db2.gz NEQNZNLMQGPVJL-UHFFFAOYSA-N 2 1 322.880 3.069 20 0 DGADMP Clc1ccc(CC[NH+]2CCC(N3CCCOCC3)CC2)cc1 ZINC000931285609 661463972 /nfs/dbraw/zinc/46/39/72/661463972.db2.gz NEQNZNLMQGPVJL-UHFFFAOYSA-N 2 1 322.880 3.069 20 0 DGADMP Clc1ccc(CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931285609 661463973 /nfs/dbraw/zinc/46/39/73/661463973.db2.gz NEQNZNLMQGPVJL-UHFFFAOYSA-N 2 1 322.880 3.069 20 0 DGADMP Clc1ccc(CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285609 661463975 /nfs/dbraw/zinc/46/39/75/661463975.db2.gz NEQNZNLMQGPVJL-UHFFFAOYSA-N 2 1 322.880 3.069 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@@]2(C)C1 ZINC000931316145 661466331 /nfs/dbraw/zinc/46/63/31/661466331.db2.gz GLGUODMMPROXFE-BRSBDYLESA-N 2 1 320.427 3.309 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313319 661466524 /nfs/dbraw/zinc/46/65/24/661466524.db2.gz AJLNXCUAGIBOEI-ZGXWSNOMSA-N 2 1 314.473 3.180 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313319 661466525 /nfs/dbraw/zinc/46/65/25/661466525.db2.gz AJLNXCUAGIBOEI-ZGXWSNOMSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313319 661466527 /nfs/dbraw/zinc/46/65/27/661466527.db2.gz AJLNXCUAGIBOEI-ZGXWSNOMSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313319 661466531 /nfs/dbraw/zinc/46/65/31/661466531.db2.gz AJLNXCUAGIBOEI-ZGXWSNOMSA-N 2 1 314.473 3.180 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000931426320 661475776 /nfs/dbraw/zinc/47/57/76/661475776.db2.gz MKGPIHLNNWCELS-MOPGFXCFSA-N 2 1 310.441 3.102 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000931426320 661475779 /nfs/dbraw/zinc/47/57/79/661475779.db2.gz MKGPIHLNNWCELS-MOPGFXCFSA-N 2 1 310.441 3.102 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000931426320 661475782 /nfs/dbraw/zinc/47/57/82/661475782.db2.gz MKGPIHLNNWCELS-MOPGFXCFSA-N 2 1 310.441 3.102 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442443 661476919 /nfs/dbraw/zinc/47/69/19/661476919.db2.gz HNKILVMTXBSYKH-FUMNGEBKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442443 661476920 /nfs/dbraw/zinc/47/69/20/661476920.db2.gz HNKILVMTXBSYKH-FUMNGEBKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442443 661476922 /nfs/dbraw/zinc/47/69/22/661476922.db2.gz HNKILVMTXBSYKH-FUMNGEBKSA-N 2 1 314.473 3.180 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547853 661487248 /nfs/dbraw/zinc/48/72/48/661487248.db2.gz UIMMHIOFDKPPST-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547853 661487250 /nfs/dbraw/zinc/48/72/50/661487250.db2.gz UIMMHIOFDKPPST-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547853 661487253 /nfs/dbraw/zinc/48/72/53/661487253.db2.gz UIMMHIOFDKPPST-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547853 661487255 /nfs/dbraw/zinc/48/72/55/661487255.db2.gz UIMMHIOFDKPPST-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931918570 661522105 /nfs/dbraw/zinc/52/21/05/661522105.db2.gz VOQXVTPNKHZZRC-STQMWFEESA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931918570 661522106 /nfs/dbraw/zinc/52/21/06/661522106.db2.gz VOQXVTPNKHZZRC-STQMWFEESA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931918570 661522107 /nfs/dbraw/zinc/52/21/07/661522107.db2.gz VOQXVTPNKHZZRC-STQMWFEESA-N 2 1 308.363 3.227 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213002 661549795 /nfs/dbraw/zinc/54/97/95/661549795.db2.gz MOSMXXAHDXBDEA-KRWDZBQOSA-N 2 1 311.429 3.389 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619027 661586999 /nfs/dbraw/zinc/58/69/99/661586999.db2.gz DJSWRGXQQZZIFO-HNNXBMFYSA-N 2 1 319.518 3.296 20 0 DGADMP COC[C@@H](C)[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548844 661640551 /nfs/dbraw/zinc/64/05/51/661640551.db2.gz ADEGIHIDUBJRPL-QGZVFWFLSA-N 2 1 302.462 3.108 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCCCn2ccnc2C)nc1 ZINC000934344223 661700346 /nfs/dbraw/zinc/70/03/46/661700346.db2.gz WTASSSJNKQRWGT-GOSISDBHSA-N 2 1 314.433 3.212 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)nc1 ZINC000934344223 661700348 /nfs/dbraw/zinc/70/03/48/661700348.db2.gz WTASSSJNKQRWGT-GOSISDBHSA-N 2 1 314.433 3.212 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)nc1 ZINC000934344223 661700352 /nfs/dbraw/zinc/70/03/52/661700352.db2.gz WTASSSJNKQRWGT-GOSISDBHSA-N 2 1 314.433 3.212 20 0 DGADMP Cc1c(Cl)cnn1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000156824935 661864898 /nfs/dbraw/zinc/86/48/98/661864898.db2.gz VWKVTVITCNWFJN-UHFFFAOYSA-N 2 1 324.900 3.390 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@H](C)C1 ZINC000157100730 661866035 /nfs/dbraw/zinc/86/60/35/661866035.db2.gz GOQXMOYEHWCGSP-ZBFHGGJFSA-N 2 1 315.461 3.039 20 0 DGADMP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000157506511 661867903 /nfs/dbraw/zinc/86/79/03/661867903.db2.gz ZUSWLPHIONUYHC-ZWKOTPCHSA-N 2 1 322.880 3.324 20 0 DGADMP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000157506511 661867906 /nfs/dbraw/zinc/86/79/06/661867906.db2.gz ZUSWLPHIONUYHC-ZWKOTPCHSA-N 2 1 322.880 3.324 20 0 DGADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000078974109 662093186 /nfs/dbraw/zinc/09/31/86/662093186.db2.gz HRRIENRDMWBKFM-RTBURBONSA-N 2 1 301.478 3.249 20 0 DGADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000078974109 662093188 /nfs/dbraw/zinc/09/31/88/662093188.db2.gz HRRIENRDMWBKFM-RTBURBONSA-N 2 1 301.478 3.249 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192681999 662108028 /nfs/dbraw/zinc/10/80/28/662108028.db2.gz PDOZNKCIESVNGV-AYHJJNSGSA-N 2 1 315.461 3.140 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192681999 662108030 /nfs/dbraw/zinc/10/80/30/662108030.db2.gz PDOZNKCIESVNGV-AYHJJNSGSA-N 2 1 315.461 3.140 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cccc(Cl)c2Br)CC1 ZINC000719429173 662283645 /nfs/dbraw/zinc/28/36/45/662283645.db2.gz OONUCZWOTHBWHQ-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@@H]2CCC[NH2+][C@H]21 ZINC001576487489 1191828107 /nfs/dbraw/zinc/82/81/07/1191828107.db2.gz BEMYSRFRJOONQS-KBAYOESNSA-N 2 1 314.473 3.266 20 0 DGADMP C[C@@]1(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC001576500628 1191831025 /nfs/dbraw/zinc/83/10/25/1191831025.db2.gz KHCVSELVGWLJKQ-RBUKOAKNSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@@]1(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC001576500628 1191831057 /nfs/dbraw/zinc/83/10/57/1191831057.db2.gz KHCVSELVGWLJKQ-RBUKOAKNSA-N 2 1 320.452 3.196 20 0 DGADMP CC(C)(C)n1cncc1[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576502380 1191832417 /nfs/dbraw/zinc/83/24/17/1191832417.db2.gz BQECUKMLRWXJEQ-LPHOPBHVSA-N 2 1 318.509 3.207 20 0 DGADMP C[C@@H]1[C@H](C)N(C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@@H](C)C[N@H+]1C ZINC001576574628 1191847573 /nfs/dbraw/zinc/84/75/73/1191847573.db2.gz VMPRFOIKPPYUPY-DFGXFYAUSA-N 2 1 323.525 3.004 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)C1 ZINC001576671318 1191861661 /nfs/dbraw/zinc/86/16/61/1191861661.db2.gz XXCBAOOJYYNZQB-SPOLIRPYSA-N 2 1 308.510 3.028 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@@H]1C[NH3+] ZINC001576732793 1191865989 /nfs/dbraw/zinc/86/59/89/1191865989.db2.gz XRVUUJYQWQMXSV-MNOVXSKESA-N 2 1 309.866 3.366 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1[NH3+] ZINC001576809483 1191870291 /nfs/dbraw/zinc/87/02/91/1191870291.db2.gz ZUABASCUJDVDSK-ABAIWWIYSA-N 2 1 306.356 3.394 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1[NH3+] ZINC001576809483 1191870293 /nfs/dbraw/zinc/87/02/93/1191870293.db2.gz ZUABASCUJDVDSK-ABAIWWIYSA-N 2 1 306.356 3.394 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2O1 ZINC001576862700 1191871739 /nfs/dbraw/zinc/87/17/39/1191871739.db2.gz PIKNHTUSPUPZLH-KBAYOESNSA-N 2 1 314.473 3.222 20 0 DGADMP CCC(CC)(C[NH3+])C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC001577050748 1191881589 /nfs/dbraw/zinc/88/15/89/1191881589.db2.gz BSDVFJXZMWURDC-UHFFFAOYSA-N 2 1 317.477 3.362 20 0 DGADMP CCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ncsc2C1 ZINC001577457923 1191903531 /nfs/dbraw/zinc/90/35/31/1191903531.db2.gz KAVOREMNUNWVPD-HUUCEWRRSA-N 2 1 307.507 3.102 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001578174432 1191929117 /nfs/dbraw/zinc/92/91/17/1191929117.db2.gz UKSZOYYBNMNQIW-JSGCOSHPSA-N 2 1 318.383 3.133 20 0 DGADMP C[N@@H+](CCN1CCCC[C@@H]1C1(C[NH3+])CCC1)Cc1ccccc1 ZINC001578471357 1191944673 /nfs/dbraw/zinc/94/46/73/1191944673.db2.gz FBNPOVCBXLXZMJ-LJQANCHMSA-N 2 1 315.505 3.102 20 0 DGADMP CN(CC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1)Cc1ccccc1 ZINC001578471357 1191944674 /nfs/dbraw/zinc/94/46/74/1191944674.db2.gz FBNPOVCBXLXZMJ-LJQANCHMSA-N 2 1 315.505 3.102 20 0 DGADMP CN(CC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1)Cc1ccccc1 ZINC001578471357 1191944675 /nfs/dbraw/zinc/94/46/75/1191944675.db2.gz FBNPOVCBXLXZMJ-LJQANCHMSA-N 2 1 315.505 3.102 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001578529673 1191947321 /nfs/dbraw/zinc/94/73/21/1191947321.db2.gz XCKPMTWABCCWDQ-INIZCTEOSA-N 2 1 303.450 3.083 20 0 DGADMP COCC1(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CCC1 ZINC001578981332 1191963728 /nfs/dbraw/zinc/96/37/28/1191963728.db2.gz DDWGAQKCKIRHBK-FUHWJXTLSA-N 2 1 308.510 3.423 20 0 DGADMP COCC[C@H]([NH3+])C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC001578999965 1191963739 /nfs/dbraw/zinc/96/37/39/1191963739.db2.gz LBFXSWAWAOZCCW-OKYOBFRVSA-N 2 1 302.462 3.008 20 0 DGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC001579194513 1191968808 /nfs/dbraw/zinc/96/88/08/1191968808.db2.gz QLDBOVWZCOIAGG-HUUCEWRRSA-N 2 1 320.477 3.041 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC001579238744 1191969936 /nfs/dbraw/zinc/96/99/36/1191969936.db2.gz XYQAQDNUPSUIKB-GTAWCEEGSA-N 2 1 314.473 3.167 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001579454709 1191976689 /nfs/dbraw/zinc/97/66/89/1191976689.db2.gz XHOVJGSVFNZCGS-SNPRPXQTSA-N 2 1 312.379 3.350 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Cl)c1Br ZINC001579461035 1191977281 /nfs/dbraw/zinc/97/72/81/1191977281.db2.gz ZNPOETIOZJXLCD-KOLCDFICSA-N 2 1 317.658 3.048 20 0 DGADMP Clc1ccc(Cl)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001579938813 1192000017 /nfs/dbraw/zinc/00/00/17/1192000017.db2.gz NBTJFDGSRLXAEC-GFCCVEGCSA-N 2 1 314.260 3.210 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC001579872732 1191997411 /nfs/dbraw/zinc/99/74/11/1191997411.db2.gz OWCFLOYWOQKWIC-QGZVFWFLSA-N 2 1 314.477 3.328 20 0 DGADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CCCC(F)(F)F)cc1 ZINC001580033537 1192004317 /nfs/dbraw/zinc/00/43/17/1192004317.db2.gz QMHVPXUBOOUUDJ-ZIAGYGMSSA-N 2 1 304.331 3.203 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)C12CCC2 ZINC001580162550 1192010759 /nfs/dbraw/zinc/01/07/59/1192010759.db2.gz BVCGSSAHSKQWBD-CHWSQXEVSA-N 2 1 305.472 3.231 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)C12CCC2 ZINC001580165254 1192011403 /nfs/dbraw/zinc/01/14/03/1192011403.db2.gz UIAKZTKAYWEEKZ-QRVBRYPASA-N 2 1 307.441 3.225 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC001580164732 1192011412 /nfs/dbraw/zinc/01/14/12/1192011412.db2.gz RMMYAPSVFSDDAM-OLZOCXBDSA-N 2 1 302.315 3.204 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC001580164736 1192011484 /nfs/dbraw/zinc/01/14/84/1192011484.db2.gz RMMYAPSVFSDDAM-STQMWFEESA-N 2 1 302.315 3.204 20 0 DGADMP [NH3+]C1CCC2(CC1)C[N@@H+](CCc1ccc3ccccc3c1)CCO2 ZINC001580173431 1192011999 /nfs/dbraw/zinc/01/19/99/1192011999.db2.gz PYLCNXMJMNXSGF-UHFFFAOYSA-N 2 1 324.468 3.355 20 0 DGADMP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001580184718 1192012845 /nfs/dbraw/zinc/01/28/45/1192012845.db2.gz ZSMXOPRZWDKVLI-HXUWFJFHSA-N 3 1 315.505 3.376 20 0 DGADMP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001580184718 1192012848 /nfs/dbraw/zinc/01/28/48/1192012848.db2.gz ZSMXOPRZWDKVLI-HXUWFJFHSA-N 3 1 315.505 3.376 20 0 DGADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC001580247915 1192015617 /nfs/dbraw/zinc/01/56/17/1192015617.db2.gz WIGUPAHMNKQTSM-UHFFFAOYSA-N 2 1 321.877 3.289 20 0 DGADMP [NH3+]Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001580342887 1192022781 /nfs/dbraw/zinc/02/27/81/1192022781.db2.gz MRXSFYNGXDUUAP-UHFFFAOYSA-N 3 1 301.478 3.032 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001580288526 1192019629 /nfs/dbraw/zinc/01/96/29/1192019629.db2.gz NREGYMAKWKZRMP-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP Oc1ccc2c(c1)C1(CC1)C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC001580888551 1192043974 /nfs/dbraw/zinc/04/39/74/1192043974.db2.gz PVQJWRZYXSGZBH-UHFFFAOYSA-N 2 1 300.446 3.019 20 0 DGADMP C[NH+](C)CCC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001620695162 1192068063 /nfs/dbraw/zinc/06/80/63/1192068063.db2.gz VJBYHXBGZKGLDQ-UHFFFAOYSA-N 2 1 307.438 3.075 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@H]1C ZINC001620897969 1192561955 /nfs/dbraw/zinc/56/19/55/1192561955.db2.gz CZZOHMJXGCDLOB-YAJHFMINSA-N 2 1 316.489 3.168 20 0 DGADMP CCOc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001620898513 1192564351 /nfs/dbraw/zinc/56/43/51/1192564351.db2.gz WATHZBGMQICIOE-INIZCTEOSA-N 2 1 320.477 3.448 20 0 DGADMP C[C@@H](O)C[C@@H](C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080204317 1197043464 /nfs/dbraw/zinc/04/34/64/1197043464.db2.gz NYNYXHAPJLZBMG-IAGOWNOFSA-N 2 1 306.494 3.141 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001665624273 1197160210 /nfs/dbraw/zinc/16/02/10/1197160210.db2.gz VMCRZQUBZJLNHS-GRDNDAEWSA-N 2 1 312.885 3.388 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001691113638 1176323216 /nfs/dbraw/zinc/32/32/16/1176323216.db2.gz ULBFZPFKAGUQKN-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001691113638 1176323223 /nfs/dbraw/zinc/32/32/23/1176323223.db2.gz ULBFZPFKAGUQKN-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001691113638 1176323229 /nfs/dbraw/zinc/32/32/29/1176323229.db2.gz ULBFZPFKAGUQKN-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Brc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435482 1176490492 /nfs/dbraw/zinc/49/04/92/1176490492.db2.gz JTKGIQGGPIYODZ-CQSZACIVSA-N 2 1 323.278 3.413 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000395111654 1176785095 /nfs/dbraw/zinc/78/50/95/1176785095.db2.gz CIFBMIBRFYNGBF-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000395111654 1176785107 /nfs/dbraw/zinc/78/51/07/1176785107.db2.gz CIFBMIBRFYNGBF-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000395179450 1176785853 /nfs/dbraw/zinc/78/58/53/1176785853.db2.gz HATNINGBFCEJKP-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000395179450 1176785864 /nfs/dbraw/zinc/78/58/64/1176785864.db2.gz HATNINGBFCEJKP-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000388855730 1176964094 /nfs/dbraw/zinc/96/40/94/1176964094.db2.gz GOQBUYIUCOCNPQ-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168460689 1177225845 /nfs/dbraw/zinc/22/58/45/1177225845.db2.gz OYIMDGTZXQCDNB-QWHCGFSZSA-N 2 1 316.367 3.390 20 0 DGADMP CCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001671679518 1177235060 /nfs/dbraw/zinc/23/50/60/1177235060.db2.gz XOFRZUBXZWEQNA-MJGOQNOKSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000133814154 1177384013 /nfs/dbraw/zinc/38/40/13/1177384013.db2.gz GRNRAPQYMLVVQD-UHFFFAOYSA-N 2 1 323.234 3.490 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000133814154 1177384019 /nfs/dbraw/zinc/38/40/19/1177384019.db2.gz GRNRAPQYMLVVQD-UHFFFAOYSA-N 2 1 323.234 3.490 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000292908267 1177528388 /nfs/dbraw/zinc/52/83/88/1177528388.db2.gz WPEPAODQMZWXTA-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000292908267 1177528395 /nfs/dbraw/zinc/52/83/95/1177528395.db2.gz WPEPAODQMZWXTA-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000292908267 1177528399 /nfs/dbraw/zinc/52/83/99/1177528399.db2.gz WPEPAODQMZWXTA-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001331510711 1178231017 /nfs/dbraw/zinc/23/10/17/1178231017.db2.gz KCUOHHHDPMQCMM-SQNIBIBYSA-N 2 1 304.478 3.351 20 0 DGADMP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001332217457 1178395488 /nfs/dbraw/zinc/39/54/88/1178395488.db2.gz HMSRCFPBWRGIGM-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001332217457 1178395497 /nfs/dbraw/zinc/39/54/97/1178395497.db2.gz HMSRCFPBWRGIGM-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001332217457 1178395505 /nfs/dbraw/zinc/39/55/05/1178395505.db2.gz HMSRCFPBWRGIGM-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)OCC ZINC001332980200 1178534094 /nfs/dbraw/zinc/53/40/94/1178534094.db2.gz FXCBPSSNFKMLIW-HUUCEWRRSA-N 2 1 320.414 3.105 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)o1 ZINC001333645104 1178645195 /nfs/dbraw/zinc/64/51/95/1178645195.db2.gz CQETTZCMSLPELK-CQSZACIVSA-N 2 1 301.390 3.068 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]2C1 ZINC001333840486 1178683546 /nfs/dbraw/zinc/68/35/46/1178683546.db2.gz FXKYMTIQAILYFA-WSTZPKSXSA-N 2 1 324.472 3.034 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333892408 1178691460 /nfs/dbraw/zinc/69/14/60/1178691460.db2.gz QPZBZQUKAJHWBQ-ARFHVFGLSA-N 2 1 320.452 3.387 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001334355178 1178753399 /nfs/dbraw/zinc/75/33/99/1178753399.db2.gz AEFKJDZWCXWUFE-JQHSSLGASA-N 2 1 302.462 3.166 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(COC(C)=O)c2)C1 ZINC001334732507 1178787356 /nfs/dbraw/zinc/78/73/56/1178787356.db2.gz QJLVRIWHSAOLHF-CRAIPNDOSA-N 2 1 318.461 3.132 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257514 1178879346 /nfs/dbraw/zinc/87/93/46/1178879346.db2.gz VYJFRNLWYQWGBJ-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257514 1178879357 /nfs/dbraw/zinc/87/93/57/1178879357.db2.gz VYJFRNLWYQWGBJ-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001335346579 1178898659 /nfs/dbraw/zinc/89/86/59/1178898659.db2.gz XZWWTCABCQIFAV-PZJWPPBQSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001335346579 1178898670 /nfs/dbraw/zinc/89/86/70/1178898670.db2.gz XZWWTCABCQIFAV-PZJWPPBQSA-N 2 1 324.468 3.065 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1C ZINC001335583918 1178933343 /nfs/dbraw/zinc/93/33/43/1178933343.db2.gz SWLINLKVWXZERH-BZSNNMDCSA-N 2 1 318.509 3.072 20 0 DGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001341569181 1179030850 /nfs/dbraw/zinc/03/08/50/1179030850.db2.gz MLVAJVUPQRUDSB-SJLPKXTDSA-N 2 1 322.518 3.343 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001342864099 1179200798 /nfs/dbraw/zinc/20/07/98/1179200798.db2.gz MRUXVQORMYTJGV-SFHVURJKSA-N 2 1 318.509 3.389 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001342864099 1179200805 /nfs/dbraw/zinc/20/08/05/1179200805.db2.gz MRUXVQORMYTJGV-SFHVURJKSA-N 2 1 318.509 3.389 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC001344041704 1179368580 /nfs/dbraw/zinc/36/85/80/1179368580.db2.gz SMMLBDLVRCYGQW-DLBZAZTESA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC001344041704 1179368588 /nfs/dbraw/zinc/36/85/88/1179368588.db2.gz SMMLBDLVRCYGQW-DLBZAZTESA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC001344041705 1179369162 /nfs/dbraw/zinc/36/91/62/1179369162.db2.gz SMMLBDLVRCYGQW-IAGOWNOFSA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC001344041705 1179369155 /nfs/dbraw/zinc/36/91/55/1179369155.db2.gz SMMLBDLVRCYGQW-IAGOWNOFSA-N 2 1 310.457 3.204 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC001349320977 1179892935 /nfs/dbraw/zinc/89/29/35/1179892935.db2.gz XQPVAQULRYNZSA-UKRRQHHQSA-N 2 1 322.522 3.001 20 0 DGADMP CCCn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)c(C)n1 ZINC001200243453 1180479143 /nfs/dbraw/zinc/47/91/43/1180479143.db2.gz IIPPIVLPLDPQNJ-UHFFFAOYSA-N 2 1 314.477 3.343 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C)c1 ZINC001355372865 1181046454 /nfs/dbraw/zinc/04/64/54/1181046454.db2.gz GSGZYVNYDVYAHH-RCCFBDPRSA-N 2 1 302.462 3.166 20 0 DGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC001356070157 1181135892 /nfs/dbraw/zinc/13/58/92/1181135892.db2.gz NFANHCYOWQVDJO-BZSNNMDCSA-N 2 1 320.864 3.246 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001435945716 1181857643 /nfs/dbraw/zinc/85/76/43/1181857643.db2.gz FFXHISNVXKBGCM-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001459382103 1182584010 /nfs/dbraw/zinc/58/40/10/1182584010.db2.gz AQIKFFVWBLKONT-MOPGFXCFSA-N 2 1 310.526 3.491 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001459621742 1182599898 /nfs/dbraw/zinc/59/98/98/1182599898.db2.gz HKAHMNBUKJSZFA-ICSRJNTNSA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001459621742 1182599903 /nfs/dbraw/zinc/59/99/03/1182599903.db2.gz HKAHMNBUKJSZFA-ICSRJNTNSA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001459621742 1182599909 /nfs/dbraw/zinc/59/99/09/1182599909.db2.gz HKAHMNBUKJSZFA-ICSRJNTNSA-N 2 1 316.489 3.428 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459644562 1182601226 /nfs/dbraw/zinc/60/12/26/1182601226.db2.gz CNKUPEHKDCTCSN-JENIJYKNSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459644561 1182601648 /nfs/dbraw/zinc/60/16/48/1182601648.db2.gz CNKUPEHKDCTCSN-AOIWGVFYSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+](CC)CCN(Cc1cccs1)Cc1[nH]c(C)[nH+]c1C ZINC001459672741 1182604845 /nfs/dbraw/zinc/60/48/45/1182604845.db2.gz SJEVKQSQXZMMST-UHFFFAOYSA-N 2 1 320.506 3.432 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001459779716 1182615257 /nfs/dbraw/zinc/61/52/57/1182615257.db2.gz QKIQFZLSQGDAJZ-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)CN1C ZINC001459779716 1182615260 /nfs/dbraw/zinc/61/52/60/1182615260.db2.gz QKIQFZLSQGDAJZ-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)CN1C ZINC001459779716 1182615264 /nfs/dbraw/zinc/61/52/64/1182615264.db2.gz QKIQFZLSQGDAJZ-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](C)CO ZINC001460141937 1182657416 /nfs/dbraw/zinc/65/74/16/1182657416.db2.gz JRMTWEPOTWPOQD-SFHVURJKSA-N 2 1 318.505 3.034 20 0 DGADMP CC(C)O[C@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460600974 1182698089 /nfs/dbraw/zinc/69/80/89/1182698089.db2.gz CKEITNZUIWENPD-CEXWTWQISA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460600974 1182698091 /nfs/dbraw/zinc/69/80/91/1182698091.db2.gz CKEITNZUIWENPD-CEXWTWQISA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460600974 1182698095 /nfs/dbraw/zinc/69/80/95/1182698095.db2.gz CKEITNZUIWENPD-CEXWTWQISA-N 2 1 302.462 3.036 20 0 DGADMP Cc1[nH]c(CN2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC001460627111 1182702451 /nfs/dbraw/zinc/70/24/51/1182702451.db2.gz OJJQADCNFIASCH-KRWDZBQOSA-N 2 1 304.482 3.113 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC001461063919 1182762954 /nfs/dbraw/zinc/76/29/54/1182762954.db2.gz LXSIJCAJXHSEFG-UHFFFAOYSA-N 2 1 307.825 3.424 20 0 DGADMP CC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001461199652 1182781068 /nfs/dbraw/zinc/78/10/68/1182781068.db2.gz ZVBYLWLZZMBGGF-ZIFCJYIRSA-N 2 1 308.510 3.436 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC001461261907 1182788657 /nfs/dbraw/zinc/78/86/57/1182788657.db2.gz YIOWCAGXCDTHHB-ROUUACIJSA-N 2 1 306.494 3.332 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC001461261907 1182788663 /nfs/dbraw/zinc/78/86/63/1182788663.db2.gz YIOWCAGXCDTHHB-ROUUACIJSA-N 2 1 306.494 3.332 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001461829491 1182864386 /nfs/dbraw/zinc/86/43/86/1182864386.db2.gz KYPAHKGJTFGWAY-KFKAGJAMSA-N 2 1 310.441 3.278 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCC2 ZINC001462045029 1182901501 /nfs/dbraw/zinc/90/15/01/1182901501.db2.gz LWKOSIKLWDPVKI-KRWDZBQOSA-N 2 1 304.482 3.304 20 0 DGADMP CC[C@@](C)(C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001462224866 1182926256 /nfs/dbraw/zinc/92/62/56/1182926256.db2.gz JNTIPLFYBDVNNW-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@](C)(C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001462224866 1182926262 /nfs/dbraw/zinc/92/62/62/1182926262.db2.gz JNTIPLFYBDVNNW-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@](C)(C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001462224866 1182926264 /nfs/dbraw/zinc/92/62/64/1182926264.db2.gz JNTIPLFYBDVNNW-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)C[NH+](C)C ZINC001462573826 1182971687 /nfs/dbraw/zinc/97/16/87/1182971687.db2.gz POFZZNUTNGESRU-GUDVDZBRSA-N 2 1 304.478 3.269 20 0 DGADMP CCCC[NH+]1CCC(Nc2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC001472660034 1183662871 /nfs/dbraw/zinc/66/28/71/1183662871.db2.gz JSNBRHWQNRUKGH-UHFFFAOYSA-N 2 1 301.438 3.197 20 0 DGADMP COC[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001473190263 1183727131 /nfs/dbraw/zinc/72/71/31/1183727131.db2.gz OJZIWRFAUVLYKI-UXHICEINSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001473190263 1183727134 /nfs/dbraw/zinc/72/71/34/1183727134.db2.gz OJZIWRFAUVLYKI-UXHICEINSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001473190263 1183727137 /nfs/dbraw/zinc/72/71/37/1183727137.db2.gz OJZIWRFAUVLYKI-UXHICEINSA-N 2 1 318.505 3.359 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473300166 1183740309 /nfs/dbraw/zinc/74/03/09/1183740309.db2.gz XPFIZIIMHGUECY-WOJBJXKFSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473300166 1183740310 /nfs/dbraw/zinc/74/03/10/1183740310.db2.gz XPFIZIIMHGUECY-WOJBJXKFSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473300166 1183740311 /nfs/dbraw/zinc/74/03/11/1183740311.db2.gz XPFIZIIMHGUECY-WOJBJXKFSA-N 2 1 318.505 3.176 20 0 DGADMP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001473533693 1183770561 /nfs/dbraw/zinc/77/05/61/1183770561.db2.gz YOVHEZAKNHVJMC-BHIYHBOVSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001473533693 1183770562 /nfs/dbraw/zinc/77/05/62/1183770562.db2.gz YOVHEZAKNHVJMC-BHIYHBOVSA-N 2 1 304.478 3.038 20 0 DGADMP COCC[N@@H+](CCCc1cccc(C)c1)CC1CC[NH+](C)CC1 ZINC001473702622 1183791239 /nfs/dbraw/zinc/79/12/39/1183791239.db2.gz LNZVYTQNEHRZDZ-UHFFFAOYSA-N 2 1 318.505 3.218 20 0 DGADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C ZINC001473808630 1183806429 /nfs/dbraw/zinc/80/64/29/1183806429.db2.gz HMPUPTDGHINIPM-MRXNPFEDSA-N 2 1 311.429 3.109 20 0 DGADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C ZINC001473808629 1183806450 /nfs/dbraw/zinc/80/64/50/1183806450.db2.gz HMPUPTDGHINIPM-INIZCTEOSA-N 2 1 311.429 3.109 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001473876231 1183816556 /nfs/dbraw/zinc/81/65/56/1183816556.db2.gz AMFYRZSJERQBEI-OALUTQOASA-N 2 1 318.509 3.166 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001473876231 1183816558 /nfs/dbraw/zinc/81/65/58/1183816558.db2.gz AMFYRZSJERQBEI-OALUTQOASA-N 2 1 318.509 3.166 20 0 DGADMP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)c(C2CCCCC2)n1 ZINC001473917783 1183827644 /nfs/dbraw/zinc/82/76/44/1183827644.db2.gz QWVBOXADSNTVPD-UHFFFAOYSA-N 2 1 304.482 3.043 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473957980 1183837763 /nfs/dbraw/zinc/83/77/63/1183837763.db2.gz YWQXAIHGQKVISO-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473957980 1183837764 /nfs/dbraw/zinc/83/77/64/1183837764.db2.gz YWQXAIHGQKVISO-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001474302510 1183900978 /nfs/dbraw/zinc/90/09/78/1183900978.db2.gz YTBOHUUKMGSZPH-KZNAEPCWSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001474302510 1183900982 /nfs/dbraw/zinc/90/09/82/1183900982.db2.gz YTBOHUUKMGSZPH-KZNAEPCWSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001474302509 1183901057 /nfs/dbraw/zinc/90/10/57/1183901057.db2.gz YTBOHUUKMGSZPH-FGTMMUONSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001474302509 1183901063 /nfs/dbraw/zinc/90/10/63/1183901063.db2.gz YTBOHUUKMGSZPH-FGTMMUONSA-N 2 1 302.462 3.295 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSc2ccc(OC)cc2)[C@H](C)C1 ZINC001474319618 1183904127 /nfs/dbraw/zinc/90/41/27/1183904127.db2.gz YRCXSQLHFXVNMN-QAPCUYQASA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSc2ccc(OC)cc2)[C@H](C)C1 ZINC001474319618 1183904130 /nfs/dbraw/zinc/90/41/30/1183904130.db2.gz YRCXSQLHFXVNMN-QAPCUYQASA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Cc3nc(C)cs3)C2)CC1 ZINC001474710427 1183965353 /nfs/dbraw/zinc/96/53/53/1183965353.db2.gz FBZFURWIMSSPII-QGZVFWFLSA-N 2 1 321.534 3.438 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001479627379 1184279514 /nfs/dbraw/zinc/27/95/14/1184279514.db2.gz XVOMFGZZUYOLAN-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480695936 1184579169 /nfs/dbraw/zinc/57/91/69/1184579169.db2.gz RKQONJIXCWHQLL-HZPDHXFCSA-N 2 1 323.525 3.066 20 0 DGADMP CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001501881875 1185934829 /nfs/dbraw/zinc/93/48/29/1185934829.db2.gz AJHBVUXWOUOOOC-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502126908 1185956777 /nfs/dbraw/zinc/95/67/77/1185956777.db2.gz DOOLCELVXICFOI-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001502932672 1186030160 /nfs/dbraw/zinc/03/01/60/1186030160.db2.gz GNRJNKGJRYXUBU-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001502932672 1186030164 /nfs/dbraw/zinc/03/01/64/1186030164.db2.gz GNRJNKGJRYXUBU-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001502932672 1186030169 /nfs/dbraw/zinc/03/01/69/1186030169.db2.gz GNRJNKGJRYXUBU-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505637439 1186117388 /nfs/dbraw/zinc/11/73/88/1186117388.db2.gz KACXYRUZMAAAJK-CVEARBPZSA-N 2 1 323.525 3.088 20 0 DGADMP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001506563701 1186250971 /nfs/dbraw/zinc/25/09/71/1186250971.db2.gz YUGDOVPDJCPOKL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001506563701 1186250977 /nfs/dbraw/zinc/25/09/77/1186250977.db2.gz YUGDOVPDJCPOKL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506563701 1186250980 /nfs/dbraw/zinc/25/09/80/1186250980.db2.gz YUGDOVPDJCPOKL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001506563701 1186250984 /nfs/dbraw/zinc/25/09/84/1186250984.db2.gz YUGDOVPDJCPOKL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001507088745 1186357747 /nfs/dbraw/zinc/35/77/47/1186357747.db2.gz JTJILBDEHMFEHJ-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCc1c[nH]c2ncnc(NC[C@H]3CCC[N@H+](C(C)C)C3)c12 ZINC001611886190 1193443032 /nfs/dbraw/zinc/44/30/32/1193443032.db2.gz AUOUMTMHRTUABD-CYBMUJFWSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC001611886190 1193443034 /nfs/dbraw/zinc/44/30/34/1193443034.db2.gz AUOUMTMHRTUABD-CYBMUJFWSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@H+](C(C)C)C3)c12 ZINC001611886190 1193443036 /nfs/dbraw/zinc/44/30/36/1193443036.db2.gz AUOUMTMHRTUABD-CYBMUJFWSA-N 2 1 301.438 3.004 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001523568499 1187173702 /nfs/dbraw/zinc/17/37/02/1187173702.db2.gz XNOWAFAWDKPBLE-MRXNPFEDSA-N 2 1 303.450 3.083 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)C1CCCC1 ZINC001615450912 1193522410 /nfs/dbraw/zinc/52/24/10/1193522410.db2.gz GBTJULMSSCUGCV-FQEVSTJZSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC001615450912 1193522413 /nfs/dbraw/zinc/52/24/13/1193522413.db2.gz GBTJULMSSCUGCV-FQEVSTJZSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001615450912 1193522416 /nfs/dbraw/zinc/52/24/16/1193522416.db2.gz GBTJULMSSCUGCV-FQEVSTJZSA-N 2 1 318.505 3.175 20 0 DGADMP C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C[C@H]1CCC[NH+](C)C1 ZINC001615634626 1193524807 /nfs/dbraw/zinc/52/48/07/1193524807.db2.gz GPFRCVRNLMHMPK-YTQUADARSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@@H]1CC[C@H](c2ccccc2)O1)C[C@H]1CCC[N@H+](C)C1 ZINC001615634626 1193524808 /nfs/dbraw/zinc/52/48/08/1193524808.db2.gz GPFRCVRNLMHMPK-YTQUADARSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@@H]1CC[C@H](c2ccccc2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC001615634626 1193524811 /nfs/dbraw/zinc/52/48/11/1193524811.db2.gz GPFRCVRNLMHMPK-YTQUADARSA-N 2 1 302.462 3.180 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001615744123 1193527410 /nfs/dbraw/zinc/52/74/10/1193527410.db2.gz OJALVHJNYADCRX-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001615744123 1193527415 /nfs/dbraw/zinc/52/74/15/1193527415.db2.gz OJALVHJNYADCRX-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001615744123 1193527418 /nfs/dbraw/zinc/52/74/18/1193527418.db2.gz OJALVHJNYADCRX-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(c1)COC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001617104894 1193558173 /nfs/dbraw/zinc/55/81/73/1193558173.db2.gz ZUVFNRKWAMLSPL-DOTOQJQBSA-N 2 1 314.473 3.459 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC001549039184 1188488959 /nfs/dbraw/zinc/48/89/59/1188488959.db2.gz UTWBLSQMDYASOV-XWSJACJDSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549115728 1188495957 /nfs/dbraw/zinc/49/59/57/1188495957.db2.gz HYFMEYUXUCARMS-SIXWZSSISA-N 2 1 311.429 3.463 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549115728 1188495959 /nfs/dbraw/zinc/49/59/59/1188495959.db2.gz HYFMEYUXUCARMS-SIXWZSSISA-N 2 1 311.429 3.463 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC001549188369 1188502126 /nfs/dbraw/zinc/50/21/26/1188502126.db2.gz QAAKPPKLLATMAX-RDJZCZTQSA-N 2 1 308.416 3.009 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC001549710515 1188535135 /nfs/dbraw/zinc/53/51/35/1188535135.db2.gz WNFMHQRBZPHUQD-KBPBESRZSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC001549710515 1188535138 /nfs/dbraw/zinc/53/51/38/1188535138.db2.gz WNFMHQRBZPHUQD-KBPBESRZSA-N 2 1 313.367 3.064 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3C[C@@H]3C3CCOCC3)CC[NH2+]2)cc1 ZINC001549921625 1188558744 /nfs/dbraw/zinc/55/87/44/1188558744.db2.gz TWJHTOJAEGEFBF-WTGUMLROSA-N 2 1 314.473 3.132 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC001550174851 1188591152 /nfs/dbraw/zinc/59/11/52/1188591152.db2.gz IBSJUCVDUOFLIF-MAUKXSAKSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC001550174851 1188591154 /nfs/dbraw/zinc/59/11/54/1188591154.db2.gz IBSJUCVDUOFLIF-MAUKXSAKSA-N 2 1 313.470 3.371 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCCC[C@H]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550350856 1188609023 /nfs/dbraw/zinc/60/90/23/1188609023.db2.gz AROKIQGMCRWNDO-VWQYPGANSA-N 2 1 308.510 3.025 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)C1 ZINC001550521882 1188619309 /nfs/dbraw/zinc/61/93/09/1188619309.db2.gz ZTVVFMHKURRFJJ-JFIYKMOQSA-N 2 1 317.477 3.385 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543653 1188621645 /nfs/dbraw/zinc/62/16/45/1188621645.db2.gz UGNKLNOAKKCQHD-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543653 1188621648 /nfs/dbraw/zinc/62/16/48/1188621648.db2.gz UGNKLNOAKKCQHD-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543653 1188621651 /nfs/dbraw/zinc/62/16/51/1188621651.db2.gz UGNKLNOAKKCQHD-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541529 1188622022 /nfs/dbraw/zinc/62/20/22/1188622022.db2.gz YXUKUWXRYFSCKU-SNPRPXQTSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550541529 1188622023 /nfs/dbraw/zinc/62/20/23/1188622023.db2.gz YXUKUWXRYFSCKU-SNPRPXQTSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550541529 1188622024 /nfs/dbraw/zinc/62/20/24/1188622024.db2.gz YXUKUWXRYFSCKU-SNPRPXQTSA-N 2 1 310.388 3.233 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@H]2CCOC23CCCC3)[C@@H](c2ccccc2)C1 ZINC001550699747 1188642313 /nfs/dbraw/zinc/64/23/13/1188642313.db2.gz DYRMAMQGZVLLGW-OTWHNJEPSA-N 2 1 314.473 3.023 20 0 DGADMP FC1(F)[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)[C@H]1c1ccccc1 ZINC001550943161 1188672819 /nfs/dbraw/zinc/67/28/19/1188672819.db2.gz BHWQLWMRMAPENM-OWCLPIDISA-N 2 1 306.400 3.300 20 0 DGADMP Cn1cc[nH+]c1[C@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001550952907 1188674887 /nfs/dbraw/zinc/67/48/87/1188674887.db2.gz PGZFZXBRWIYRSH-WPZCVXBKSA-N 3 1 316.493 3.053 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CCO1 ZINC001551259624 1188722619 /nfs/dbraw/zinc/72/26/19/1188722619.db2.gz GQTQAFDPYXJKIM-LFDJNIOPSA-N 2 1 308.510 3.100 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001551261657 1188723467 /nfs/dbraw/zinc/72/34/67/1188723467.db2.gz OUACUCXYJPBWLY-XGXHKWSGSA-N 2 1 316.489 3.461 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC001551377405 1188731996 /nfs/dbraw/zinc/73/19/96/1188731996.db2.gz HTZZBPKUMKJUKO-OBUJGBQQSA-N 2 1 321.468 3.036 20 0 DGADMP CO[C@@H]1C[C@@H](CF)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317574 1188835230 /nfs/dbraw/zinc/83/52/30/1188835230.db2.gz QBSYGRFEPAXPHH-RBUKOAKNSA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@@H]1C[C@@H](CF)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317574 1188835235 /nfs/dbraw/zinc/83/52/35/1188835235.db2.gz QBSYGRFEPAXPHH-RBUKOAKNSA-N 2 1 320.452 3.231 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@@H+]1C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001553305974 1188915606 /nfs/dbraw/zinc/91/56/06/1188915606.db2.gz YRWIGYXHZTUREB-LULLPPNCSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@H+]1C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001553305974 1188915608 /nfs/dbraw/zinc/91/56/08/1188915608.db2.gz YRWIGYXHZTUREB-LULLPPNCSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@@]2(F)CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001553312487 1188915917 /nfs/dbraw/zinc/91/59/17/1188915917.db2.gz GVGUBWWBJOLSHC-KTWXZFIHSA-N 2 1 318.436 3.096 20 0 DGADMP c1[nH+]cn2cc(-c3noc([C@H]4CC[N@@H+]4C4CCCC4)n3)ccc12 ZINC001553889492 1188955800 /nfs/dbraw/zinc/95/58/00/1188955800.db2.gz HFBDYDACPSEJPH-OAHLLOKOSA-N 2 1 309.373 3.074 20 0 DGADMP CC[C@H](C)[N@@H+](CCc1ccccc1F)C[C@@H](O)C[NH+](C)C(C)C ZINC001559507211 1189211601 /nfs/dbraw/zinc/21/16/01/1189211601.db2.gz RGMCUXSQEAQTOV-WMZOPIPTSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@H](C)[NH+](CCc1ccccc1F)C[C@@H](O)C[N@H+](C)C(C)C ZINC001559507211 1189211603 /nfs/dbraw/zinc/21/16/03/1189211603.db2.gz RGMCUXSQEAQTOV-WMZOPIPTSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@H](C)[NH+](CCc1ccccc1F)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001559507211 1189211608 /nfs/dbraw/zinc/21/16/08/1189211608.db2.gz RGMCUXSQEAQTOV-WMZOPIPTSA-N 2 1 324.484 3.170 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001559587807 1189220750 /nfs/dbraw/zinc/22/07/50/1189220750.db2.gz KHYYUNSJXFXEOD-SFHVURJKSA-N 2 1 324.896 3.315 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001559662031 1189228485 /nfs/dbraw/zinc/22/84/85/1189228485.db2.gz NSXIAFSKSRSNRE-UHFFFAOYSA-N 2 1 315.537 3.259 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001559662031 1189228489 /nfs/dbraw/zinc/22/84/89/1189228489.db2.gz NSXIAFSKSRSNRE-UHFFFAOYSA-N 2 1 315.537 3.259 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001559662031 1189228493 /nfs/dbraw/zinc/22/84/93/1189228493.db2.gz NSXIAFSKSRSNRE-UHFFFAOYSA-N 2 1 315.537 3.259 20 0 DGADMP CC/C=C/CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001559831518 1189247446 /nfs/dbraw/zinc/24/74/46/1189247446.db2.gz VJLFGBOEEZOJCO-SNAWJCMRSA-N 2 1 315.505 3.092 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964153 1189263302 /nfs/dbraw/zinc/26/33/02/1189263302.db2.gz MNOQABIFQZWDDK-ZWKOTPCHSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964153 1189263305 /nfs/dbraw/zinc/26/33/05/1189263305.db2.gz MNOQABIFQZWDDK-ZWKOTPCHSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964153 1189263309 /nfs/dbraw/zinc/26/33/09/1189263309.db2.gz MNOQABIFQZWDDK-ZWKOTPCHSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964153 1189263312 /nfs/dbraw/zinc/26/33/12/1189263312.db2.gz MNOQABIFQZWDDK-ZWKOTPCHSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC(C)(C)CO1 ZINC001560043145 1189272542 /nfs/dbraw/zinc/27/25/42/1189272542.db2.gz OVPVOYLJYNBKAW-SFHVURJKSA-N 2 1 304.478 3.385 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001560068746 1189274516 /nfs/dbraw/zinc/27/45/16/1189274516.db2.gz HCAQOSLLPGYORY-FHWLQOOXSA-N 2 1 308.510 3.388 20 0 DGADMP CC1CC[NH+](CCC[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC001560251591 1189299198 /nfs/dbraw/zinc/29/91/98/1189299198.db2.gz UGRBUARNLMFOIR-UHFFFAOYSA-N 2 1 318.509 3.289 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001560318550 1189310623 /nfs/dbraw/zinc/31/06/23/1189310623.db2.gz RBYVAQNYRSBFRF-QZTJIDSGSA-N 2 1 308.510 3.437 20 0 DGADMP CCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC001560349572 1189316181 /nfs/dbraw/zinc/31/61/81/1189316181.db2.gz PBBMUNDYPPAEEH-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP CN(C)c1cc[nH+]cc1CNc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC001560420332 1189326724 /nfs/dbraw/zinc/32/67/24/1189326724.db2.gz AZIKHFSLMOAYQR-UHFFFAOYSA-N 2 1 324.472 3.396 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001560652352 1189356064 /nfs/dbraw/zinc/35/60/64/1189356064.db2.gz WVSAHVQTNQJYSW-MRXNPFEDSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCCc2ccc(OC)cc2)CC1 ZINC001560680660 1189359323 /nfs/dbraw/zinc/35/93/23/1189359323.db2.gz JUORYNJUHKRIMI-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2N(C)C)CC1 ZINC001560681349 1189359559 /nfs/dbraw/zinc/35/95/59/1189359559.db2.gz XGWQDTQDFQVFKT-UHFFFAOYSA-N 2 1 321.484 3.444 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749819 1189373822 /nfs/dbraw/zinc/37/38/22/1189373822.db2.gz YDGJQZSMNOPWAS-WMZOPIPTSA-N 3 1 319.537 3.103 20 0 DGADMP C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749819 1189373817 /nfs/dbraw/zinc/37/38/17/1189373817.db2.gz YDGJQZSMNOPWAS-WMZOPIPTSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749819 1189373827 /nfs/dbraw/zinc/37/38/27/1189373827.db2.gz YDGJQZSMNOPWAS-WMZOPIPTSA-N 3 1 319.537 3.103 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001560801972 1189383846 /nfs/dbraw/zinc/38/38/46/1189383846.db2.gz GISIUJPIGWHLMX-INIZCTEOSA-N 2 1 319.468 3.068 20 0 DGADMP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001567220471 1190076877 /nfs/dbraw/zinc/07/68/77/1190076877.db2.gz ZGFKXCIYPDFSBY-MRXNPFEDSA-N 2 1 323.525 3.090 20 0 DGADMP CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001570262305 1190831933 /nfs/dbraw/zinc/83/19/33/1190831933.db2.gz NHMYVLGDZPQGSS-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCOc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC001620756204 1191438494 /nfs/dbraw/zinc/43/84/94/1191438494.db2.gz GBCPQOXLDGYRLT-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001575423473 1191481061 /nfs/dbraw/zinc/48/10/61/1191481061.db2.gz UVMAQPMQUNOSMJ-LSDHHAIUSA-N 2 1 321.534 3.432 20 0 DGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001575594374 1191494500 /nfs/dbraw/zinc/49/45/00/1191494500.db2.gz YRGARVXWHPPWJD-IBGZPJMESA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001575615436 1191496287 /nfs/dbraw/zinc/49/62/87/1191496287.db2.gz ZNUINMSEDHFMPE-HKUYNNGSSA-N 2 1 302.462 3.295 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001575921209 1191517379 /nfs/dbraw/zinc/51/73/79/1191517379.db2.gz FIDWTQOEURCHFB-KOFHJDLBSA-N 2 1 323.868 3.033 20 0 DGADMP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001576244594 1191547345 /nfs/dbraw/zinc/54/73/45/1191547345.db2.gz MBZYPSMJASCHAD-PMCHWUPSSA-N 3 1 319.537 3.150 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001576314869 1191559570 /nfs/dbraw/zinc/55/95/70/1191559570.db2.gz KQYVMRLSABFBQO-MRXNPFEDSA-N 2 1 323.440 3.159 20 0 DGADMP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070543 1193724218 /nfs/dbraw/zinc/72/42/18/1193724218.db2.gz RAWIBNSZFXOSTK-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070543 1193724219 /nfs/dbraw/zinc/72/42/19/1193724219.db2.gz RAWIBNSZFXOSTK-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001618070543 1193724220 /nfs/dbraw/zinc/72/42/20/1193724220.db2.gz RAWIBNSZFXOSTK-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001618070543 1193724222 /nfs/dbraw/zinc/72/42/22/1193724222.db2.gz RAWIBNSZFXOSTK-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC001618916493 1193754822 /nfs/dbraw/zinc/75/48/22/1193754822.db2.gz RIVBAEWWYXVOMM-MRXNPFEDSA-N 2 1 324.509 3.495 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CCO1 ZINC001620562552 1193779045 /nfs/dbraw/zinc/77/90/45/1193779045.db2.gz MXTOJMSIXBGZFD-AFYVEPGGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CCO1 ZINC001620562552 1193779047 /nfs/dbraw/zinc/77/90/47/1193779047.db2.gz MXTOJMSIXBGZFD-AFYVEPGGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CCO1 ZINC001620562552 1193779052 /nfs/dbraw/zinc/77/90/52/1193779052.db2.gz MXTOJMSIXBGZFD-AFYVEPGGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)CCO1 ZINC001620562552 1193779056 /nfs/dbraw/zinc/77/90/56/1193779056.db2.gz MXTOJMSIXBGZFD-AFYVEPGGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2cnccc2c1 ZINC001620594371 1193782431 /nfs/dbraw/zinc/78/24/31/1193782431.db2.gz OTLYOCDTBAYEIU-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@@H]2C1 ZINC001621107846 1193802799 /nfs/dbraw/zinc/80/27/99/1193802799.db2.gz BDCQCUANALFFLT-MJBXVCDLSA-N 2 1 314.351 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@@H]2C1 ZINC001621107846 1193802804 /nfs/dbraw/zinc/80/28/04/1193802804.db2.gz BDCQCUANALFFLT-MJBXVCDLSA-N 2 1 314.351 3.015 20 0 DGADMP CC[NH+](CC)CC[C@H](NCc1c[nH+]c(C)n1C)c1ccccc1 ZINC001621105684 1193803031 /nfs/dbraw/zinc/80/30/31/1193803031.db2.gz XQPORODHKANZIY-IBGZPJMESA-N 2 1 314.477 3.291 20 0 DGADMP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244468 1193821749 /nfs/dbraw/zinc/82/17/49/1193821749.db2.gz NXXZCBJQEPWGIY-SJORKVTESA-N 3 1 321.553 3.492 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001621244468 1193821755 /nfs/dbraw/zinc/82/17/55/1193821755.db2.gz NXXZCBJQEPWGIY-SJORKVTESA-N 3 1 321.553 3.492 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244468 1193821759 /nfs/dbraw/zinc/82/17/59/1193821759.db2.gz NXXZCBJQEPWGIY-SJORKVTESA-N 3 1 321.553 3.492 20 0 DGADMP COC1(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCCCCC1 ZINC001621313972 1193829527 /nfs/dbraw/zinc/82/95/27/1193829527.db2.gz RLKDLRQOQYZTDY-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c2c(n1)CCCC2 ZINC001621356800 1193833283 /nfs/dbraw/zinc/83/32/83/1193833283.db2.gz KKYGLRMLPJRRPM-HXUWFJFHSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c2c(n1)CCCC2 ZINC001621356800 1193833289 /nfs/dbraw/zinc/83/32/89/1193833289.db2.gz KKYGLRMLPJRRPM-HXUWFJFHSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2c(n1)CCCC2 ZINC001621356800 1193833291 /nfs/dbraw/zinc/83/32/91/1193833291.db2.gz KKYGLRMLPJRRPM-HXUWFJFHSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2c(n1)CCCC2 ZINC001621356800 1193833296 /nfs/dbraw/zinc/83/32/96/1193833296.db2.gz KKYGLRMLPJRRPM-HXUWFJFHSA-N 2 1 313.489 3.187 20 0 DGADMP C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493054 1193849713 /nfs/dbraw/zinc/84/97/13/1193849713.db2.gz HALVJUNKVGHMPF-MIALQEHNSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493054 1193849715 /nfs/dbraw/zinc/84/97/15/1193849715.db2.gz HALVJUNKVGHMPF-MIALQEHNSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493054 1193849716 /nfs/dbraw/zinc/84/97/16/1193849716.db2.gz HALVJUNKVGHMPF-MIALQEHNSA-N 2 1 316.489 3.384 20 0 DGADMP COc1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)ccc1C ZINC001621491295 1193849890 /nfs/dbraw/zinc/84/98/90/1193849890.db2.gz CHLDKDRKFOJWBE-UHFFFAOYSA-N 2 1 319.493 3.198 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000043499045 1194221134 /nfs/dbraw/zinc/22/11/34/1194221134.db2.gz UROLZZROEILSCY-HNNXBMFYSA-N 2 1 311.267 3.413 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000043499045 1194221139 /nfs/dbraw/zinc/22/11/39/1194221139.db2.gz UROLZZROEILSCY-HNNXBMFYSA-N 2 1 311.267 3.413 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)OC(C)C)CC1)CC1CC1 ZINC001642389205 1194907824 /nfs/dbraw/zinc/90/78/24/1194907824.db2.gz ZQWIORVQHUSLAS-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC001642598724 1194922144 /nfs/dbraw/zinc/92/21/44/1194922144.db2.gz CHTYJCTUFBBIQP-NRFANRHFSA-N 2 1 323.484 3.107 20 0 DGADMP C[NH+](CCN1CC[N@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC001642598724 1194922146 /nfs/dbraw/zinc/92/21/46/1194922146.db2.gz CHTYJCTUFBBIQP-NRFANRHFSA-N 2 1 323.484 3.107 20 0 DGADMP C[NH+](CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC001642598724 1194922148 /nfs/dbraw/zinc/92/21/48/1194922148.db2.gz CHTYJCTUFBBIQP-NRFANRHFSA-N 2 1 323.484 3.107 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC001644571361 1195118307 /nfs/dbraw/zinc/11/83/07/1195118307.db2.gz ZRNLTYQNSDRWAJ-HZPDHXFCSA-N 2 1 317.477 3.186 20 0 DGADMP CCc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001647027150 1195240743 /nfs/dbraw/zinc/24/07/43/1195240743.db2.gz XJRANYAGFUEKSL-CALCHBBNSA-N 2 1 304.478 3.228 20 0 DGADMP CC(C)n1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001647034015 1195241391 /nfs/dbraw/zinc/24/13/91/1195241391.db2.gz DCELJELJQYJXNS-UHFFFAOYSA-N 2 1 304.482 3.351 20 0 DGADMP CC[C@H](C)[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC001647847569 1195258803 /nfs/dbraw/zinc/25/88/03/1195258803.db2.gz FCXRQWKFPHZFLJ-FCEWJHQRSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC001647847569 1195258805 /nfs/dbraw/zinc/25/88/05/1195258805.db2.gz FCXRQWKFPHZFLJ-FCEWJHQRSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC001647847569 1195258812 /nfs/dbraw/zinc/25/88/12/1195258812.db2.gz FCXRQWKFPHZFLJ-FCEWJHQRSA-N 2 1 319.493 3.421 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCc2cncs2)CC1 ZINC001648026784 1195271875 /nfs/dbraw/zinc/27/18/75/1195271875.db2.gz HXPMHBCQRWGOAE-MRXNPFEDSA-N 2 1 307.507 3.272 20 0 DGADMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(C)s1 ZINC001648365986 1195294767 /nfs/dbraw/zinc/29/47/67/1195294767.db2.gz AQDOACQAEDKIBV-ZDUSSCGKSA-N 2 1 301.459 3.471 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)ccc1OC ZINC000063917638 1195325379 /nfs/dbraw/zinc/32/53/79/1195325379.db2.gz MMQLIMGUPQQGGV-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCOc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(Cl)c1OC ZINC000065981546 1195483477 /nfs/dbraw/zinc/48/34/77/1195483477.db2.gz CUJDHZIUKMFRRZ-GFCCVEGCSA-N 2 1 314.857 3.177 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc2ccccc21 ZINC001651697940 1195497755 /nfs/dbraw/zinc/49/77/55/1195497755.db2.gz LWIZZVPWZHVOBL-QXAKKESOSA-N 2 1 310.441 3.278 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001651697765 1195498301 /nfs/dbraw/zinc/49/83/01/1195498301.db2.gz HRAFOAUDFVPHEX-YJOBFJKBSA-N 2 1 314.473 3.166 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@@H](C)O3)C[C@@H]1C ZINC001651750072 1195505939 /nfs/dbraw/zinc/50/59/39/1195505939.db2.gz AAGZSCQTXRCICP-DAYGRLMNSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)C[C@@H]1C ZINC001651750072 1195505946 /nfs/dbraw/zinc/50/59/46/1195505946.db2.gz AAGZSCQTXRCICP-DAYGRLMNSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)C[C@@H]1C ZINC001651750072 1195505953 /nfs/dbraw/zinc/50/59/53/1195505953.db2.gz AAGZSCQTXRCICP-DAYGRLMNSA-N 2 1 302.462 3.315 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001651862864 1195518270 /nfs/dbraw/zinc/51/82/70/1195518270.db2.gz OZKWNIGHULVFLN-QGZVFWFLSA-N 2 1 301.478 3.200 20 0 DGADMP CNc1ccc(C)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001651862864 1195518273 /nfs/dbraw/zinc/51/82/73/1195518273.db2.gz OZKWNIGHULVFLN-QGZVFWFLSA-N 2 1 301.478 3.200 20 0 DGADMP CNc1ccc(C)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001651862864 1195518279 /nfs/dbraw/zinc/51/82/79/1195518279.db2.gz OZKWNIGHULVFLN-QGZVFWFLSA-N 2 1 301.478 3.200 20 0 DGADMP Cc1csc2nc(C)c(C[N@H+](C)CCCn3cc[nH+]c3C)n12 ZINC001652393614 1195592513 /nfs/dbraw/zinc/59/25/13/1195592513.db2.gz DGJLOABNJCMZIX-UHFFFAOYSA-N 2 1 317.462 3.040 20 0 DGADMP Cc1csc2nc(C)c(C[N@@H+](C)CCCn3cc[nH+]c3C)n12 ZINC001652393614 1195592515 /nfs/dbraw/zinc/59/25/15/1195592515.db2.gz DGJLOABNJCMZIX-UHFFFAOYSA-N 2 1 317.462 3.040 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001652635345 1195629824 /nfs/dbraw/zinc/62/98/24/1195629824.db2.gz KOGQHITYNDWZJA-LLVKDONJSA-N 2 1 302.249 3.210 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634007 1195629934 /nfs/dbraw/zinc/62/99/34/1195629934.db2.gz SKVBTZVOISEAIL-RBUKOAKNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634007 1195629940 /nfs/dbraw/zinc/62/99/40/1195629940.db2.gz SKVBTZVOISEAIL-RBUKOAKNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634007 1195629944 /nfs/dbraw/zinc/62/99/44/1195629944.db2.gz SKVBTZVOISEAIL-RBUKOAKNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634007 1195629950 /nfs/dbraw/zinc/62/99/50/1195629950.db2.gz SKVBTZVOISEAIL-RBUKOAKNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)CC1 ZINC001652684544 1195636889 /nfs/dbraw/zinc/63/68/89/1195636889.db2.gz MARSNHGKGKBPFX-DOTOQJQBSA-N 2 1 324.509 3.018 20 0 DGADMP Cc1cc([C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)c(O)cc1Cl ZINC001652865055 1195664052 /nfs/dbraw/zinc/66/40/52/1195664052.db2.gz BWYWZYCCZHRICP-OAHLLOKOSA-N 2 1 322.880 3.485 20 0 DGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001653268797 1195705888 /nfs/dbraw/zinc/70/58/88/1195705888.db2.gz AVHCTYCJECKBIK-PSOYPTMXSA-N 2 1 312.501 3.426 20 0 DGADMP CN(CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC001653466077 1195725912 /nfs/dbraw/zinc/72/59/12/1195725912.db2.gz RKEXCKHPWKLZSP-LJQANCHMSA-N 2 1 303.494 3.319 20 0 DGADMP CCc1ccc(C[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC001653987803 1195765654 /nfs/dbraw/zinc/76/56/54/1195765654.db2.gz ZKEMTFPJDFQQGB-HXUWFJFHSA-N 2 1 318.505 3.162 20 0 DGADMP CCc1ccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC001653987803 1195765655 /nfs/dbraw/zinc/76/56/55/1195765655.db2.gz ZKEMTFPJDFQQGB-HXUWFJFHSA-N 2 1 318.505 3.162 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC001653987803 1195765657 /nfs/dbraw/zinc/76/56/57/1195765657.db2.gz ZKEMTFPJDFQQGB-HXUWFJFHSA-N 2 1 318.505 3.162 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC001653987803 1195765658 /nfs/dbraw/zinc/76/56/58/1195765658.db2.gz ZKEMTFPJDFQQGB-HXUWFJFHSA-N 2 1 318.505 3.162 20 0 DGADMP CC[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@H]1C ZINC001654218312 1195785094 /nfs/dbraw/zinc/78/50/94/1195785094.db2.gz KUMAOXBXVZCTNQ-RBUKOAKNSA-N 2 1 315.505 3.319 20 0 DGADMP CC[C@@H]1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)[C@H]1C ZINC001654218060 1195785599 /nfs/dbraw/zinc/78/55/99/1195785599.db2.gz ICSDHRCLEZZIBA-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC2CCOCC2)CC1 ZINC001654512082 1195811621 /nfs/dbraw/zinc/81/16/21/1195811621.db2.gz HLXNUYUNQWRNIK-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543930 1195815301 /nfs/dbraw/zinc/81/53/01/1195815301.db2.gz WYRSSWOSMYSOJX-WBVHZDCISA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543930 1195815308 /nfs/dbraw/zinc/81/53/08/1195815308.db2.gz WYRSSWOSMYSOJX-WBVHZDCISA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543930 1195815319 /nfs/dbraw/zinc/81/53/19/1195815319.db2.gz WYRSSWOSMYSOJX-WBVHZDCISA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543930 1195815325 /nfs/dbraw/zinc/81/53/25/1195815325.db2.gz WYRSSWOSMYSOJX-WBVHZDCISA-N 2 1 322.468 3.095 20 0 DGADMP CCc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001654655716 1195827551 /nfs/dbraw/zinc/82/75/51/1195827551.db2.gz BHWLOBXXMDOVDB-KRWDZBQOSA-N 2 1 309.457 3.397 20 0 DGADMP c1nc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2s1 ZINC001655325102 1195903746 /nfs/dbraw/zinc/90/37/46/1195903746.db2.gz DFAWXOMYUBEKAR-UHFFFAOYSA-N 2 1 301.459 3.260 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001655402128 1195913024 /nfs/dbraw/zinc/91/30/24/1195913024.db2.gz YLXXEYRRHIOINN-JTDSTZFVSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001655402128 1195913026 /nfs/dbraw/zinc/91/30/26/1195913026.db2.gz YLXXEYRRHIOINN-JTDSTZFVSA-N 2 1 302.462 3.186 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655421032 1195915428 /nfs/dbraw/zinc/91/54/28/1195915428.db2.gz NKQFRSMDESTQOF-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655421032 1195915432 /nfs/dbraw/zinc/91/54/32/1195915432.db2.gz NKQFRSMDESTQOF-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOCc1ccccc1 ZINC001655436599 1195916778 /nfs/dbraw/zinc/91/67/78/1195916778.db2.gz NPJOVADXAHMTGZ-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001655463648 1195921086 /nfs/dbraw/zinc/92/10/86/1195921086.db2.gz UETBLAZIPXSBRW-HUUCEWRRSA-N 2 1 309.404 3.418 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001655560700 1195931733 /nfs/dbraw/zinc/93/17/33/1195931733.db2.gz MZKAZUKGEICPBO-RDJZCZTQSA-N 2 1 304.478 3.263 20 0 DGADMP c1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC001655572599 1195934119 /nfs/dbraw/zinc/93/41/19/1195934119.db2.gz YSQVYUMFAQXEIW-KDURUIRLSA-N 2 1 316.514 3.467 20 0 DGADMP CCCC1CCC(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001655631858 1195943050 /nfs/dbraw/zinc/94/30/50/1195943050.db2.gz IDPJRNHJKDMUFJ-ACBHZAAOSA-N 2 1 310.526 3.419 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663869 1195946771 /nfs/dbraw/zinc/94/67/71/1195946771.db2.gz OLVGNLQAEHJIAN-DLBZAZTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663869 1195946773 /nfs/dbraw/zinc/94/67/73/1195946773.db2.gz OLVGNLQAEHJIAN-DLBZAZTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663869 1195946775 /nfs/dbraw/zinc/94/67/75/1195946775.db2.gz OLVGNLQAEHJIAN-DLBZAZTESA-N 2 1 324.896 3.221 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC001655725499 1195956301 /nfs/dbraw/zinc/95/63/01/1195956301.db2.gz YWQQYIHIZCPLSO-MSOLQXFVSA-N 2 1 318.509 3.430 20 0 DGADMP CC[C@@H](C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1)OC ZINC001655730499 1195957637 /nfs/dbraw/zinc/95/76/37/1195957637.db2.gz RVVCBIPBZIDIRR-IBGZPJMESA-N 2 1 316.489 3.499 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001656081554 1195996188 /nfs/dbraw/zinc/99/61/88/1195996188.db2.gz DABBQEHSGOOHKW-UHFFFAOYSA-N 2 1 311.433 3.302 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC001656395419 1196035813 /nfs/dbraw/zinc/03/58/13/1196035813.db2.gz RBEFUSVBDFCCKL-IRXDYDNUSA-N 2 1 302.462 3.263 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC001656395421 1196035847 /nfs/dbraw/zinc/03/58/47/1196035847.db2.gz RBEFUSVBDFCCKL-SJORKVTESA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccc2O1 ZINC001656718298 1196065220 /nfs/dbraw/zinc/06/52/20/1196065220.db2.gz QJMSASGAXGAWOM-YJBOKZPZSA-N 2 1 314.473 3.222 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1)CC2 ZINC001656947454 1196085655 /nfs/dbraw/zinc/08/56/55/1196085655.db2.gz YYVKPBHAQKROQB-TXPKVOOTSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1)CC2 ZINC001656947454 1196085657 /nfs/dbraw/zinc/08/56/57/1196085657.db2.gz YYVKPBHAQKROQB-TXPKVOOTSA-N 2 1 316.489 3.263 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC001657010780 1196093299 /nfs/dbraw/zinc/09/32/99/1196093299.db2.gz BZOZCQPUJSXCBR-DOTOQJQBSA-N 2 1 312.498 3.018 20 0 DGADMP CC(C)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Oc1ccccc1 ZINC001657190698 1196116968 /nfs/dbraw/zinc/11/69/68/1196116968.db2.gz GKPKHMXTLDLRPF-KRWDZBQOSA-N 2 1 302.462 3.262 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211686 1196118496 /nfs/dbraw/zinc/11/84/96/1196118496.db2.gz AKGPHARHVDEOCB-WBVHZDCISA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211686 1196118499 /nfs/dbraw/zinc/11/84/99/1196118499.db2.gz AKGPHARHVDEOCB-WBVHZDCISA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211686 1196118503 /nfs/dbraw/zinc/11/85/03/1196118503.db2.gz AKGPHARHVDEOCB-WBVHZDCISA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211686 1196118505 /nfs/dbraw/zinc/11/85/05/1196118505.db2.gz AKGPHARHVDEOCB-WBVHZDCISA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211685 1196118669 /nfs/dbraw/zinc/11/86/69/1196118669.db2.gz AKGPHARHVDEOCB-RDJZCZTQSA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211685 1196118670 /nfs/dbraw/zinc/11/86/70/1196118670.db2.gz AKGPHARHVDEOCB-RDJZCZTQSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211685 1196118671 /nfs/dbraw/zinc/11/86/71/1196118671.db2.gz AKGPHARHVDEOCB-RDJZCZTQSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211685 1196118672 /nfs/dbraw/zinc/11/86/72/1196118672.db2.gz AKGPHARHVDEOCB-RDJZCZTQSA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218823 1196120037 /nfs/dbraw/zinc/12/00/37/1196120037.db2.gz CWLPLSPKIGPBBU-RHSMWYFYSA-N 2 1 307.457 3.054 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218823 1196120038 /nfs/dbraw/zinc/12/00/38/1196120038.db2.gz CWLPLSPKIGPBBU-RHSMWYFYSA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218823 1196120041 /nfs/dbraw/zinc/12/00/41/1196120041.db2.gz CWLPLSPKIGPBBU-RHSMWYFYSA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218823 1196120045 /nfs/dbraw/zinc/12/00/45/1196120045.db2.gz CWLPLSPKIGPBBU-RHSMWYFYSA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415595 1196139115 /nfs/dbraw/zinc/13/91/15/1196139115.db2.gz IDISTBBAVIGMRZ-MOPGFXCFSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415595 1196139119 /nfs/dbraw/zinc/13/91/19/1196139119.db2.gz IDISTBBAVIGMRZ-MOPGFXCFSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415595 1196139123 /nfs/dbraw/zinc/13/91/23/1196139123.db2.gz IDISTBBAVIGMRZ-MOPGFXCFSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415595 1196139125 /nfs/dbraw/zinc/13/91/25/1196139125.db2.gz IDISTBBAVIGMRZ-MOPGFXCFSA-N 2 1 324.484 3.027 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC001657550589 1196154087 /nfs/dbraw/zinc/15/40/87/1196154087.db2.gz XRWUSSBSMYPKLB-MRXNPFEDSA-N 2 1 304.478 3.480 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001657628057 1196161932 /nfs/dbraw/zinc/16/19/32/1196161932.db2.gz OTAQRJOIPMWPBH-QUCCMNQESA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001657628057 1196161934 /nfs/dbraw/zinc/16/19/34/1196161934.db2.gz OTAQRJOIPMWPBH-QUCCMNQESA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001657628057 1196161936 /nfs/dbraw/zinc/16/19/36/1196161936.db2.gz OTAQRJOIPMWPBH-QUCCMNQESA-N 2 1 317.521 3.389 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCCCC1 ZINC001657638314 1196163411 /nfs/dbraw/zinc/16/34/11/1196163411.db2.gz LCEMWBQXQRUJAH-IBGZPJMESA-N 2 1 302.462 3.066 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210515 1196226385 /nfs/dbraw/zinc/22/63/85/1196226385.db2.gz YPGZOAJAZMCDRW-QGZVFWFLSA-N 2 1 315.505 3.433 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210515 1196226389 /nfs/dbraw/zinc/22/63/89/1196226389.db2.gz YPGZOAJAZMCDRW-QGZVFWFLSA-N 2 1 315.505 3.433 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210515 1196226394 /nfs/dbraw/zinc/22/63/94/1196226394.db2.gz YPGZOAJAZMCDRW-QGZVFWFLSA-N 2 1 315.505 3.433 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001658210515 1196226397 /nfs/dbraw/zinc/22/63/97/1196226397.db2.gz YPGZOAJAZMCDRW-QGZVFWFLSA-N 2 1 315.505 3.433 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC001658776892 1196299335 /nfs/dbraw/zinc/29/93/35/1196299335.db2.gz KJRNKOSSPBQJFF-GJZGRUSLSA-N 2 1 319.493 3.117 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3N3CCCCC3)[C@@H]2C1 ZINC001658777935 1196299947 /nfs/dbraw/zinc/29/99/47/1196299947.db2.gz MNIXVIKOFPBHLK-IPMKNSEASA-N 2 1 313.489 3.107 20 0 DGADMP C[C@H](CO)[N@@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001659116917 1196346304 /nfs/dbraw/zinc/34/63/04/1196346304.db2.gz QYOJHYQNRZVVTF-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](CO)[NH+](C)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001659116917 1196346306 /nfs/dbraw/zinc/34/63/06/1196346306.db2.gz QYOJHYQNRZVVTF-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](CO)[NH+](C)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001659116917 1196346310 /nfs/dbraw/zinc/34/63/10/1196346310.db2.gz QYOJHYQNRZVVTF-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001659132058 1196350157 /nfs/dbraw/zinc/35/01/57/1196350157.db2.gz VKBZEXSSDUHVRP-AWEZNQCLSA-N 2 1 308.514 3.465 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC001659472331 1196386289 /nfs/dbraw/zinc/38/62/89/1196386289.db2.gz RYNDECUCGGABKC-NSISKUIASA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC001659472331 1196386292 /nfs/dbraw/zinc/38/62/92/1196386292.db2.gz RYNDECUCGGABKC-NSISKUIASA-N 2 1 316.489 3.302 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC(C)=C(Br)C2)CC1 ZINC001659609346 1196399378 /nfs/dbraw/zinc/39/93/78/1196399378.db2.gz IXWZXAJMQYLBHQ-UHFFFAOYSA-N 2 1 301.272 3.093 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC001659652289 1196403110 /nfs/dbraw/zinc/40/31/10/1196403110.db2.gz QJUQGUAKMIEDGC-UHFFFAOYSA-N 3 1 317.521 3.446 20 0 DGADMP CCN(CCC[NH+]1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC001659652289 1196403112 /nfs/dbraw/zinc/40/31/12/1196403112.db2.gz QJUQGUAKMIEDGC-UHFFFAOYSA-N 2 1 317.521 3.446 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC001659691477 1196406201 /nfs/dbraw/zinc/40/62/01/1196406201.db2.gz PAHUDZTZAOFEKB-XUVXKRRUSA-N 2 1 321.553 3.327 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001659719188 1196408255 /nfs/dbraw/zinc/40/82/55/1196408255.db2.gz DTHIRQHEMYMEPI-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCc2ccns2)CC1 ZINC001659785698 1196414349 /nfs/dbraw/zinc/41/43/49/1196414349.db2.gz UNDSDIODRJWBDF-MRXNPFEDSA-N 2 1 307.507 3.272 20 0 DGADMP COc1ccc2oc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc2c1 ZINC001660159958 1196452473 /nfs/dbraw/zinc/45/24/73/1196452473.db2.gz QVLZZFIGFXZLNU-UHFFFAOYSA-N 2 1 304.434 3.461 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc2c1 ZINC001660159958 1196452475 /nfs/dbraw/zinc/45/24/75/1196452475.db2.gz QVLZZFIGFXZLNU-UHFFFAOYSA-N 2 1 304.434 3.461 20 0 DGADMP COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1C ZINC001660233592 1196460210 /nfs/dbraw/zinc/46/02/10/1196460210.db2.gz LHMSOOCUFGTLDA-OAHLLOKOSA-N 2 1 311.429 3.109 20 0 DGADMP C[C@H]1C[N@@H+](CC2Cc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC001660592471 1196501400 /nfs/dbraw/zinc/50/14/00/1196501400.db2.gz CREUVPRCJSTVMH-INIZCTEOSA-N 2 1 307.441 3.007 20 0 DGADMP c1cc(-c2ncc(C[NH2+]CCC[NH+]3CCCC3)s2)cs1 ZINC001660808080 1196527609 /nfs/dbraw/zinc/52/76/09/1196527609.db2.gz AFNHLLUTTNNTPQ-UHFFFAOYSA-N 2 1 307.488 3.447 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)C2 ZINC001660976606 1196548701 /nfs/dbraw/zinc/54/87/01/1196548701.db2.gz LWDIECMNUUJLHQ-KRWDZBQOSA-N 2 1 313.445 3.127 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001662879384 1196767514 /nfs/dbraw/zinc/76/75/14/1196767514.db2.gz GWNURVJFCFTYMZ-LRYGQEGESA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccccc3C)C2)CC1 ZINC001663810625 1196947532 /nfs/dbraw/zinc/94/75/32/1196947532.db2.gz SRQCAUIQNKLKCY-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cn1c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc2ccccc21 ZINC001664612147 1197021196 /nfs/dbraw/zinc/02/11/96/1197021196.db2.gz TURUBEDBZINGGK-SFHVURJKSA-N 2 1 311.473 3.342 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC001664611541 1197021421 /nfs/dbraw/zinc/02/14/21/1197021421.db2.gz KHRQXFPHXHGPGH-QAPCUYQASA-N 2 1 314.473 3.174 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@](C)(c3cccc(OC)c3)C2)CC1 ZINC001665247049 1197114483 /nfs/dbraw/zinc/11/44/83/1197114483.db2.gz HTYMJMVRYWTAEN-FQEVSTJZSA-N 2 1 316.489 3.391 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001665434753 1197136656 /nfs/dbraw/zinc/13/66/56/1197136656.db2.gz TYWIIRWVCVLCMA-HNJRGHQBSA-N 2 1 318.505 3.405 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001665847557 1197206766 /nfs/dbraw/zinc/20/67/66/1197206766.db2.gz GPAZHWYZVJRPSN-INIZCTEOSA-N 2 1 322.493 3.120 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001665847557 1197206768 /nfs/dbraw/zinc/20/67/68/1197206768.db2.gz GPAZHWYZVJRPSN-INIZCTEOSA-N 2 1 322.493 3.120 20 0 DGADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001665937607 1197218786 /nfs/dbraw/zinc/21/87/86/1197218786.db2.gz RFQNABSBGSSFEV-YLFCFFPRSA-N 2 1 324.509 3.064 20 0 DGADMP COCCCC1(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)CCC1 ZINC001665938279 1197218802 /nfs/dbraw/zinc/21/88/02/1197218802.db2.gz YEWCYNUXLQPSIL-BGYRXZFFSA-N 2 1 320.521 3.391 20 0 DGADMP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001667258275 1197333417 /nfs/dbraw/zinc/33/34/17/1197333417.db2.gz ZYYICNHEVZQJOP-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP COc1cc(C)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OC ZINC000083449231 1197429352 /nfs/dbraw/zinc/42/93/52/1197429352.db2.gz VRYCRYRLAIFMHO-UHFFFAOYSA-N 2 1 320.477 3.222 20 0 DGADMP CCCCCC[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671648242 1197556764 /nfs/dbraw/zinc/55/67/64/1197556764.db2.gz DLXLGPVEWMGYTJ-MJGOQNOKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001671648242 1197556766 /nfs/dbraw/zinc/55/67/66/1197556766.db2.gz DLXLGPVEWMGYTJ-MJGOQNOKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001671648242 1197556768 /nfs/dbraw/zinc/55/67/68/1197556768.db2.gz DLXLGPVEWMGYTJ-MJGOQNOKSA-N 2 1 323.525 3.022 20 0 DGADMP CCOc1ccccc1OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000321497276 1197685093 /nfs/dbraw/zinc/68/50/93/1197685093.db2.gz LFGSUDUSVAKYPB-ALOPSCKCSA-N 2 1 318.461 3.069 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]12 ZINC000323926699 1197691179 /nfs/dbraw/zinc/69/11/79/1197691179.db2.gz WPRIFAQCOSJBCC-CEWLAPEOSA-N 2 1 306.453 3.488 20 0 DGADMP COCCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000378921780 1197702743 /nfs/dbraw/zinc/70/27/43/1197702743.db2.gz PURMHJCLARYBNJ-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000088702687 1197769281 /nfs/dbraw/zinc/76/92/81/1197769281.db2.gz QSWPXLCUYVRDFS-LNLFQRSKSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001674954214 1197933403 /nfs/dbraw/zinc/93/34/03/1197933403.db2.gz SOWVTUHKSXQNRX-MRXNPFEDSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674954214 1197933409 /nfs/dbraw/zinc/93/34/09/1197933409.db2.gz SOWVTUHKSXQNRX-MRXNPFEDSA-N 2 1 323.525 3.042 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NCC3CC[NH2+]CC3)cc2)C1 ZINC000107790339 1199589565 /nfs/dbraw/zinc/58/95/65/1199589565.db2.gz GJZQPQYUXNJWQW-MRXNPFEDSA-N 2 1 301.478 3.330 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000318337177 1199830176 /nfs/dbraw/zinc/83/01/76/1199830176.db2.gz VTTCSFCHURDBQA-KRWDZBQOSA-N 2 1 302.462 3.438 20 0 DGADMP CC[N@H+]1CC[C@@H](CNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000119251384 1200049003 /nfs/dbraw/zinc/04/90/03/1200049003.db2.gz XJKPUGMUWIQIIS-HNNXBMFYSA-N 2 1 313.420 3.319 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000119251384 1200049006 /nfs/dbraw/zinc/04/90/06/1200049006.db2.gz XJKPUGMUWIQIIS-HNNXBMFYSA-N 2 1 313.420 3.319 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000119251384 1200049010 /nfs/dbraw/zinc/04/90/10/1200049010.db2.gz XJKPUGMUWIQIIS-HNNXBMFYSA-N 2 1 313.420 3.319 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119688373 1200108361 /nfs/dbraw/zinc/10/83/61/1200108361.db2.gz XXDMNCPMRYMBJD-SOLBZPMBSA-N 2 1 308.510 3.434 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000120782923 1200170551 /nfs/dbraw/zinc/17/05/51/1200170551.db2.gz SVRHVNHLCBUFAF-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754311115 1200197035 /nfs/dbraw/zinc/19/70/35/1200197035.db2.gz NDUMVBBPGHDDSR-OZSKJFCKSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754326153 1200216011 /nfs/dbraw/zinc/21/60/11/1200216011.db2.gz DLLQRPZKHVIIFL-LUNNPTDRSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000121716264 1200227554 /nfs/dbraw/zinc/22/75/54/1200227554.db2.gz ZRRQHHFVMYDFOB-QGZVFWFLSA-N 2 1 309.457 3.439 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000125444941 1200397791 /nfs/dbraw/zinc/39/77/91/1200397791.db2.gz LTLQTLVPFCWCNP-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001755364360 1200851377 /nfs/dbraw/zinc/85/13/77/1200851377.db2.gz TXDRPWKPJKLPEW-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H]1C ZINC000130598147 1201031501 /nfs/dbraw/zinc/03/15/01/1201031501.db2.gz CZZOHMJXGCDLOB-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220774594 1202566968 /nfs/dbraw/zinc/56/69/68/1202566968.db2.gz NBJRCPNJLJZFEV-YPMHNXCESA-N 2 1 302.340 3.144 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220774655 1202566992 /nfs/dbraw/zinc/56/69/92/1202566992.db2.gz NBJRCPNJLJZFEV-AAEUAGOBSA-N 2 1 302.340 3.144 20 0 DGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1CC)[NH+](CC)CC ZINC001707201649 1202576380 /nfs/dbraw/zinc/57/63/80/1202576380.db2.gz XXBFDZBUJZLVTG-KSZLIROESA-N 2 1 323.525 3.042 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000155764074 1202599324 /nfs/dbraw/zinc/59/93/24/1202599324.db2.gz JHSNWQZUSBXKPW-FQEVSTJZSA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000155764074 1202599325 /nfs/dbraw/zinc/59/93/25/1202599325.db2.gz JHSNWQZUSBXKPW-FQEVSTJZSA-N 2 1 309.457 3.044 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000157536709 1202602669 /nfs/dbraw/zinc/60/26/69/1202602669.db2.gz OZLZQWVVBWTBJY-MJGOQNOKSA-N 2 1 311.429 3.158 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358870 1202603704 /nfs/dbraw/zinc/60/37/04/1202603704.db2.gz MLLKIYPMPKJDCV-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358870 1202603705 /nfs/dbraw/zinc/60/37/05/1202603705.db2.gz MLLKIYPMPKJDCV-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001713442285 1202650026 /nfs/dbraw/zinc/65/00/26/1202650026.db2.gz KUNRUYXWDDLIAM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001713442285 1202650027 /nfs/dbraw/zinc/65/00/27/1202650027.db2.gz KUNRUYXWDDLIAM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001713442285 1202650028 /nfs/dbraw/zinc/65/00/28/1202650028.db2.gz KUNRUYXWDDLIAM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001714493283 1202961217 /nfs/dbraw/zinc/96/12/17/1202961217.db2.gz NFGAEOAYPJAVKV-QGZVFWFLSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717540036 1203677201 /nfs/dbraw/zinc/67/72/01/1203677201.db2.gz IBNUNJMNWBPKGJ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC000258771562 1203912607 /nfs/dbraw/zinc/91/26/07/1203912607.db2.gz KBJOZNUXCCXAJN-AWEZNQCLSA-N 2 1 311.267 3.412 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724840274 1204052188 /nfs/dbraw/zinc/05/21/88/1204052188.db2.gz ANNAKNIKWVIOAP-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724840269 1204052473 /nfs/dbraw/zinc/05/24/73/1204052473.db2.gz ANNAKNIKWVIOAP-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753108715 1204316218 /nfs/dbraw/zinc/31/62/18/1204316218.db2.gz NTLWVINJCKPMFM-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC=C(C)C)[NH+](CC)CC ZINC001731541137 1204450461 /nfs/dbraw/zinc/45/04/61/1204450461.db2.gz PINSNNOKVHRPIZ-ZWKOTPCHSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001731539770 1204451164 /nfs/dbraw/zinc/45/11/64/1204451164.db2.gz XGUPRGQTSSIXCY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001731539770 1204451165 /nfs/dbraw/zinc/45/11/65/1204451165.db2.gz XGUPRGQTSSIXCY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731539770 1204451167 /nfs/dbraw/zinc/45/11/67/1204451167.db2.gz XGUPRGQTSSIXCY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001731539770 1204451169 /nfs/dbraw/zinc/45/11/69/1204451169.db2.gz XGUPRGQTSSIXCY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001734465159 1205382859 /nfs/dbraw/zinc/38/28/59/1205382859.db2.gz ZKYKSOPEDVDARL-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1c[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1N ZINC001164632593 719094158 /nfs/dbraw/zinc/09/41/58/719094158.db2.gz ZSNRWIHQDXLZBB-MJGOQNOKSA-N 2 1 322.456 3.073 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC001165038959 721898429 /nfs/dbraw/zinc/89/84/29/721898429.db2.gz VOQATQPGXMXQKK-QZTJIDSGSA-N 2 1 316.493 3.159 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(COc3ccccc3)CC2)C1 ZINC001208606318 1081636340 /nfs/dbraw/zinc/63/63/40/1081636340.db2.gz FBVAOPQTVIMQOG-SFHVURJKSA-N 2 1 302.462 3.119 20 0 DGADMP c1cc2c3c([nH]c2c(NCC24CC[NH+](CC2)CC4)[nH+]1)CCCC3 ZINC001169796125 1081656278 /nfs/dbraw/zinc/65/62/78/1081656278.db2.gz WKPSDBQCVDAVLP-UHFFFAOYSA-N 2 1 310.445 3.340 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169959607 1081684908 /nfs/dbraw/zinc/68/49/08/1081684908.db2.gz PDLUKKNDJVRIBN-RCCFBDPRSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169959607 1081684909 /nfs/dbraw/zinc/68/49/09/1081684909.db2.gz PDLUKKNDJVRIBN-RCCFBDPRSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169959607 1081684910 /nfs/dbraw/zinc/68/49/10/1081684910.db2.gz PDLUKKNDJVRIBN-RCCFBDPRSA-N 2 1 322.493 3.011 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169959604 1081684931 /nfs/dbraw/zinc/68/49/31/1081684931.db2.gz PDLUKKNDJVRIBN-BZSNNMDCSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169959604 1081684932 /nfs/dbraw/zinc/68/49/32/1081684932.db2.gz PDLUKKNDJVRIBN-BZSNNMDCSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169959604 1081684934 /nfs/dbraw/zinc/68/49/34/1081684934.db2.gz PDLUKKNDJVRIBN-BZSNNMDCSA-N 2 1 322.493 3.011 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169973967 1081744835 /nfs/dbraw/zinc/74/48/35/1081744835.db2.gz XIJZALPPMVGRCE-OAHLLOKOSA-N 2 1 311.514 3.251 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)CCC[NH+](C)Cc1ccco1 ZINC001170062206 1081977333 /nfs/dbraw/zinc/97/73/33/1081977333.db2.gz NHCLBLHRRWKSNK-SFHVURJKSA-N 2 1 321.509 3.296 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC001170062206 1081977341 /nfs/dbraw/zinc/97/73/41/1081977341.db2.gz NHCLBLHRRWKSNK-SFHVURJKSA-N 2 1 321.509 3.296 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC001170062206 1081977346 /nfs/dbraw/zinc/97/73/46/1081977346.db2.gz NHCLBLHRRWKSNK-SFHVURJKSA-N 2 1 321.509 3.296 20 0 DGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001170137631 1082180669 /nfs/dbraw/zinc/18/06/69/1082180669.db2.gz PEDCDSZWJUWYHD-AEFFLSMTSA-N 2 1 316.493 3.039 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)C1 ZINC001170139731 1082183782 /nfs/dbraw/zinc/18/37/82/1082183782.db2.gz WMUMZYQZZNNIOY-WCVJEAGWSA-N 2 1 305.491 3.228 20 0 DGADMP C[C@@H]1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000399028329 1082259104 /nfs/dbraw/zinc/25/91/04/1082259104.db2.gz KQSGGKZNELDBNW-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196983 1082316221 /nfs/dbraw/zinc/31/62/21/1082316221.db2.gz UVTXDSRPVGISGW-NCXUSEDFSA-N 2 1 317.477 3.111 20 0 DGADMP CCC1CCC([N@@H+](C)C[C@@H](O)CN(C)Cc2ccccc2)CC1 ZINC001167586199 1082565071 /nfs/dbraw/zinc/56/50/71/1082565071.db2.gz IVBFFEVNTKGNBU-UUKMXZOPSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001204604693 1082666872 /nfs/dbraw/zinc/66/68/72/1082666872.db2.gz VVGKETTVGVEFOF-CRAIPNDOSA-N 2 1 322.443 3.432 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CCCC[N@@H+]2C(C)C)c1C ZINC001170605068 1082852893 /nfs/dbraw/zinc/85/28/93/1082852893.db2.gz QWZZTGSDLWPCNY-KRWDZBQOSA-N 2 1 319.493 3.402 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CCCC[N@H+]2C(C)C)c1C ZINC001170605068 1082852898 /nfs/dbraw/zinc/85/28/98/1082852898.db2.gz QWZZTGSDLWPCNY-KRWDZBQOSA-N 2 1 319.493 3.402 20 0 DGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524878 1082934189 /nfs/dbraw/zinc/93/41/89/1082934189.db2.gz MXXQYQJUZYYYRS-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660212 1083060080 /nfs/dbraw/zinc/06/00/80/1083060080.db2.gz UVVPKLUFJYQMOJ-XJKSGUPXSA-N 2 1 308.416 3.144 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660209 1083060163 /nfs/dbraw/zinc/06/01/63/1083060163.db2.gz UVVPKLUFJYQMOJ-BBRMVZONSA-N 2 1 308.416 3.144 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)NC[C@H](C)CC(C)(C)CC[NH3+] ZINC001181868102 1083563176 /nfs/dbraw/zinc/56/31/76/1083563176.db2.gz DKGVPFCARZXOAB-MRXNPFEDSA-N 2 1 313.530 3.016 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329278 1083575340 /nfs/dbraw/zinc/57/53/40/1083575340.db2.gz GMGXOIZQABGELV-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329278 1083575349 /nfs/dbraw/zinc/57/53/49/1083575349.db2.gz GMGXOIZQABGELV-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001267926551 1083581369 /nfs/dbraw/zinc/58/13/69/1083581369.db2.gz SOMRKXUELKLKHG-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3ccc(F)c(F)c3)C2)C1 ZINC001182034003 1083608536 /nfs/dbraw/zinc/60/85/36/1083608536.db2.gz RUMLTXQRYXLISQ-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCc3ccc(F)c(F)c3)C2)C1 ZINC001182034003 1083608544 /nfs/dbraw/zinc/60/85/44/1083608544.db2.gz RUMLTXQRYXLISQ-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCc3ccc(F)c(F)c3)C2)C1 ZINC001182034003 1083608550 /nfs/dbraw/zinc/60/85/50/1083608550.db2.gz RUMLTXQRYXLISQ-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001167751353 1083622324 /nfs/dbraw/zinc/62/23/24/1083622324.db2.gz JWUSGBYFFWUIOI-NSHDSACASA-N 2 1 316.371 3.359 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001207514953 1083715047 /nfs/dbraw/zinc/71/50/47/1083715047.db2.gz DIJFIICMNSYEQX-UHFFFAOYSA-N 2 1 308.416 3.267 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563596 1083949956 /nfs/dbraw/zinc/94/99/56/1083949956.db2.gz XHGBIDAUWHIDBT-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481530458 1084086160 /nfs/dbraw/zinc/08/61/60/1084086160.db2.gz ZFJXIPHSVIEHII-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001167825212 1084116010 /nfs/dbraw/zinc/11/60/10/1084116010.db2.gz HMALBTHVZSAHFX-KRWDZBQOSA-N 2 1 319.493 3.487 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccc2c1OCO2 ZINC001167835708 1084158526 /nfs/dbraw/zinc/15/85/26/1084158526.db2.gz UBPWVVFCHVBESA-HNNXBMFYSA-N 2 1 306.450 3.358 20 0 DGADMP CCCC[N@@H+](CC(=O)OCC)[C@H](C)CCC[NH+](CC)CC ZINC001167842060 1084184174 /nfs/dbraw/zinc/18/41/74/1084184174.db2.gz WMKIRJPABKPGHB-MRXNPFEDSA-N 2 1 300.487 3.162 20 0 DGADMP Cc1c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305499 1084238990 /nfs/dbraw/zinc/23/89/90/1084238990.db2.gz SAXIHZIGKJYNLC-FZMZJTMJSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305499 1084239002 /nfs/dbraw/zinc/23/90/02/1084239002.db2.gz SAXIHZIGKJYNLC-FZMZJTMJSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305880 1084240045 /nfs/dbraw/zinc/24/00/45/1084240045.db2.gz TVQIANFCMWKYDZ-PWSUYJOCSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305880 1084240056 /nfs/dbraw/zinc/24/00/56/1084240056.db2.gz TVQIANFCMWKYDZ-PWSUYJOCSA-N 2 1 304.331 3.261 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306742 1084241644 /nfs/dbraw/zinc/24/16/44/1084241644.db2.gz ZOLFHTKRGQAMFK-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306742 1084241652 /nfs/dbraw/zinc/24/16/52/1084241652.db2.gz ZOLFHTKRGQAMFK-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP C[N@@H+](CCCC(C)(C)C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000711791108 1085541389 /nfs/dbraw/zinc/54/13/89/1085541389.db2.gz GAUYOCWALJIKAY-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP C[N@H+](CCCC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711791108 1085541400 /nfs/dbraw/zinc/54/14/00/1085541400.db2.gz GAUYOCWALJIKAY-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP C[N@@H+](CCCC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711791108 1085541405 /nfs/dbraw/zinc/54/14/05/1085541405.db2.gz GAUYOCWALJIKAY-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](CCCC(C)(C)C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711791108 1085541414 /nfs/dbraw/zinc/54/14/14/1085541414.db2.gz GAUYOCWALJIKAY-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](CCCC(C)(C)C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711791108 1085541424 /nfs/dbraw/zinc/54/14/24/1085541424.db2.gz GAUYOCWALJIKAY-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP [NH3+]Cc1cccc2c1cnn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967101 1085888007 /nfs/dbraw/zinc/88/80/07/1085888007.db2.gz BKPBDOADHHSTEL-SJPCQFCGSA-N 2 1 310.445 3.073 20 0 DGADMP Cn1ncc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc21 ZINC001167981882 1085932980 /nfs/dbraw/zinc/93/29/80/1085932980.db2.gz NYQXDDKIRSNRME-YQQQUEKLSA-N 2 1 324.472 3.068 20 0 DGADMP FC1(F)C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]2C1 ZINC001167988428 1086026046 /nfs/dbraw/zinc/02/60/46/1086026046.db2.gz PSUBZVQGWKQGFC-SJJOOFSGSA-N 2 1 310.432 3.369 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204754994 1086159350 /nfs/dbraw/zinc/15/93/50/1086159350.db2.gz CMZCECHLAVCYET-IBGZPJMESA-N 2 1 320.477 3.195 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204754994 1086159352 /nfs/dbraw/zinc/15/93/52/1086159352.db2.gz CMZCECHLAVCYET-IBGZPJMESA-N 2 1 320.477 3.195 20 0 DGADMP C[C@H]1CC([NH2+]CCCC[NH+](C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168007494 1086163078 /nfs/dbraw/zinc/16/30/78/1086163078.db2.gz SJBIGWCYKNVNBM-ROUUACIJSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011014 1086210450 /nfs/dbraw/zinc/21/04/50/1086210450.db2.gz MDTUXHAGRXYJFQ-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013734 1086258129 /nfs/dbraw/zinc/25/81/29/1086258129.db2.gz IYMMZSHLVFCIEY-UKBAYJJMSA-N 2 1 304.478 3.179 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017260 1086310986 /nfs/dbraw/zinc/31/09/86/1086310986.db2.gz XOBJIHGMFULWKF-SMTGMISWSA-N 2 1 302.462 3.195 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CCOC[C@@H]2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018820 1086335087 /nfs/dbraw/zinc/33/50/87/1086335087.db2.gz FESRTIWVXIHBCS-VVWQDTPRSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2COC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019782 1086346345 /nfs/dbraw/zinc/34/63/45/1086346345.db2.gz JYUMLHNVRBYOGH-HGKCTWBKSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H](N(C)CCC[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040161 1086501507 /nfs/dbraw/zinc/50/15/07/1086501507.db2.gz KDRTVCAQKCIBEP-OPVJXMOQSA-N 2 1 317.521 3.312 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)COC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050481 1086588869 /nfs/dbraw/zinc/58/88/69/1086588869.db2.gz BCHIGBIGRBIBNL-IZZQQSIFSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2(C)COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050481 1086588873 /nfs/dbraw/zinc/58/88/73/1086588873.db2.gz BCHIGBIGRBIBNL-IZZQQSIFSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C)COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050481 1086588878 /nfs/dbraw/zinc/58/88/78/1086588878.db2.gz BCHIGBIGRBIBNL-IZZQQSIFSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094022 1086858092 /nfs/dbraw/zinc/85/80/92/1086858092.db2.gz RFCPYFHMGSLLAF-AXUOBQJMSA-N 2 1 320.452 3.465 20 0 DGADMP CC1CCC([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001168217456 1087061898 /nfs/dbraw/zinc/06/18/98/1087061898.db2.gz MXBXNJHLZNQWLJ-XUUQEUKMSA-N 2 1 320.521 3.388 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168312493 1087291070 /nfs/dbraw/zinc/29/10/70/1087291070.db2.gz ZWRVRUGOFSCQLM-BOYKGFJRSA-N 3 1 307.526 3.374 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001168323062 1087293484 /nfs/dbraw/zinc/29/34/84/1087293484.db2.gz OVFSTMZODOAHDJ-HTWSVDAQSA-N 2 1 306.425 3.152 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001168329723 1087296081 /nfs/dbraw/zinc/29/60/81/1087296081.db2.gz FFENXYCAJUEHRY-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP Cc1ccc(F)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212142763 1087528400 /nfs/dbraw/zinc/52/84/00/1087528400.db2.gz SIXFQAIZIJVKOW-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP Fc1ccc([C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168388016 1087547935 /nfs/dbraw/zinc/54/79/35/1087547935.db2.gz ZSLAFGZTRUMAOS-QGZVFWFLSA-N 2 1 302.437 3.489 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)c12 ZINC001158260180 1087747199 /nfs/dbraw/zinc/74/71/99/1087747199.db2.gz XEMUIDNUOHIYLA-YVEFUNNKSA-N 2 1 301.438 3.222 20 0 DGADMP CC(=O)Nc1c(C)cc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158267255 1087750880 /nfs/dbraw/zinc/75/08/80/1087750880.db2.gz VWMQVLMSZGWZJG-KDOFPFPSSA-N 2 1 318.465 3.304 20 0 DGADMP Cc1cc2c(nc[nH+]c2N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH]1 ZINC001158265443 1087751554 /nfs/dbraw/zinc/75/15/54/1087751554.db2.gz HRKDOKFQMLNJRO-SJCJKPOMSA-N 2 1 301.438 3.222 20 0 DGADMP Cc1[nH+]c2c(Nc3cccc(N4CC[NH2+]CC4)c3)cccn2c1C ZINC001159395922 1088332305 /nfs/dbraw/zinc/33/23/05/1088332305.db2.gz HMNFXSHLIWRXJQ-UHFFFAOYSA-N 2 1 321.428 3.104 20 0 DGADMP [NH3+]CCOc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001159686099 1088447185 /nfs/dbraw/zinc/44/71/85/1088447185.db2.gz FIXBVRNWNRJCCW-UHFFFAOYSA-N 2 1 323.440 3.226 20 0 DGADMP Cc1c(Br)ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1C ZINC001235938451 1088482278 /nfs/dbraw/zinc/48/22/78/1088482278.db2.gz KKKNJEGOKOFHDY-HUUCEWRRSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1c(Br)ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1C ZINC001235938451 1088482285 /nfs/dbraw/zinc/48/22/85/1088482285.db2.gz KKKNJEGOKOFHDY-HUUCEWRRSA-N 2 1 323.278 3.107 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccc3cccc(C[NH3+])c32)nc1)C1CC1 ZINC001160461176 1088815784 /nfs/dbraw/zinc/81/57/84/1088815784.db2.gz UIGPLGHNWNPBOV-UHFFFAOYSA-N 2 1 306.413 3.078 20 0 DGADMP COc1ccc2c[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)cc2c1 ZINC001155118295 1088959309 /nfs/dbraw/zinc/95/93/09/1088959309.db2.gz LCGSAZQSLYTKRQ-QGZVFWFLSA-N 2 1 303.381 3.137 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160913057 1089015071 /nfs/dbraw/zinc/01/50/71/1089015071.db2.gz FQOCPAFVHLGZMU-ZDUSSCGKSA-N 2 1 310.873 3.116 20 0 DGADMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001155258602 1089030459 /nfs/dbraw/zinc/03/04/59/1089030459.db2.gz QUMMWOYATKHNQQ-CYBMUJFWSA-N 2 1 321.428 3.034 20 0 DGADMP Cc1nc(NCC2CC[NH+](CC3CCC3)CC2)c(C)c(C)[nH+]1 ZINC001161233833 1089163226 /nfs/dbraw/zinc/16/32/26/1089163226.db2.gz FBAIPRYTMMWCBJ-UHFFFAOYSA-N 2 1 302.466 3.326 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621831 1089191374 /nfs/dbraw/zinc/19/13/74/1089191374.db2.gz POTKGMGNHQQPSM-MSOLQXFVSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155621831 1089191377 /nfs/dbraw/zinc/19/13/77/1089191377.db2.gz POTKGMGNHQQPSM-MSOLQXFVSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155621831 1089191388 /nfs/dbraw/zinc/19/13/88/1089191388.db2.gz POTKGMGNHQQPSM-MSOLQXFVSA-N 2 1 323.525 3.042 20 0 DGADMP Cc1ccc2cc[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c2c1 ZINC001155826596 1089258227 /nfs/dbraw/zinc/25/82/27/1089258227.db2.gz NVMCSZAPLQPBJK-PKOBYXMFSA-N 2 1 311.429 3.256 20 0 DGADMP CCN(C)c1cc[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001161676875 1089338957 /nfs/dbraw/zinc/33/89/57/1089338957.db2.gz BFFAQNJVWAFZKC-SHTZXODSSA-N 2 1 319.497 3.055 20 0 DGADMP Cc1ccc2c(c1)cc(Cl)nc2NCC[NH+]1CCC([NH3+])CC1 ZINC001161870518 1089445288 /nfs/dbraw/zinc/44/52/88/1089445288.db2.gz MMIRVLCZTGOGTG-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cccc(N)[nH+]1 ZINC001156342103 1089483016 /nfs/dbraw/zinc/48/30/16/1089483016.db2.gz WUPHYVBKOCFOMB-RDJZCZTQSA-N 2 1 310.445 3.011 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cccc(N)[nH+]1 ZINC001156342103 1089483025 /nfs/dbraw/zinc/48/30/25/1089483025.db2.gz WUPHYVBKOCFOMB-RDJZCZTQSA-N 2 1 310.445 3.011 20 0 DGADMP [NH3+][C@H]1CCC[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC001162402678 1089716788 /nfs/dbraw/zinc/71/67/88/1089716788.db2.gz VLHSWYZCGQVWKN-NWDGAFQWSA-N 2 1 320.234 3.101 20 0 DGADMP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)nc1NCC1CC1 ZINC001156928984 1089753891 /nfs/dbraw/zinc/75/38/91/1089753891.db2.gz RCQWBZLCXKGPGF-OAHLLOKOSA-N 2 1 317.481 3.283 20 0 DGADMP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)nc1NCC1CC1 ZINC001156928984 1089753907 /nfs/dbraw/zinc/75/39/07/1089753907.db2.gz RCQWBZLCXKGPGF-OAHLLOKOSA-N 2 1 317.481 3.283 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N2CCCCC2)cc[nH+]1 ZINC001156929741 1089754844 /nfs/dbraw/zinc/75/48/44/1089754844.db2.gz YICFKRLTCZDYRT-MRXNPFEDSA-N 2 1 317.481 3.143 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1nc(N2CCCCC2)cc[nH+]1 ZINC001156929741 1089754856 /nfs/dbraw/zinc/75/48/56/1089754856.db2.gz YICFKRLTCZDYRT-MRXNPFEDSA-N 2 1 317.481 3.143 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255071 1089893505 /nfs/dbraw/zinc/89/35/05/1089893505.db2.gz ALPKRMZFNSUNCP-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP COc1ccc2c[nH+]c(Nc3ccc([C@@H](C[NH3+])CO)cc3)cc2c1 ZINC001163053142 1090063573 /nfs/dbraw/zinc/06/35/73/1090063573.db2.gz ORBDEXHVAHMMAZ-INIZCTEOSA-N 2 1 323.396 3.022 20 0 DGADMP Cc1cc2ccccc2c(Nc2ccc([C@H](C[NH3+])CO)cc2)[nH+]1 ZINC001163051758 1090063644 /nfs/dbraw/zinc/06/36/44/1090063644.db2.gz BGTFVRWWBPXXGY-MRXNPFEDSA-N 2 1 307.397 3.321 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CC[NH+](C)C)nc1 ZINC001163595148 1090216736 /nfs/dbraw/zinc/21/67/36/1090216736.db2.gz FEOACFDQGSBKGP-QGZVFWFLSA-N 2 1 304.482 3.016 20 0 DGADMP Cc1cc(C)cc(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001163751379 1090249203 /nfs/dbraw/zinc/24/92/03/1090249203.db2.gz UGPDLGMANWJYIJ-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP COc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc(C(C)C)c1 ZINC001164216497 1090374485 /nfs/dbraw/zinc/37/44/85/1090374485.db2.gz DWQCPBWXQGDQKG-UHFFFAOYSA-N 2 1 319.493 3.257 20 0 DGADMP c1ccn(CCNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)c1 ZINC001164452225 1090424939 /nfs/dbraw/zinc/42/49/39/1090424939.db2.gz AQCIULUYDMUWBQ-KRWDZBQOSA-N 2 1 323.444 3.265 20 0 DGADMP [NH3+]Cc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001164491456 1090432413 /nfs/dbraw/zinc/43/24/13/1090432413.db2.gz DSRFNLPSKVALMS-HLAWJBBLSA-N 2 1 321.468 3.468 20 0 DGADMP COc1ccc2[nH+]c(C)cc(NCC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC001165289913 1090496840 /nfs/dbraw/zinc/49/68/40/1090496840.db2.gz LRMZFTWEMPJMIZ-OAHLLOKOSA-N 2 1 313.445 3.118 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531836 1090627436 /nfs/dbraw/zinc/62/74/36/1090627436.db2.gz JWQJJQKBHDIDLC-PMACEKPBSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000715532370 1090628303 /nfs/dbraw/zinc/62/83/03/1090628303.db2.gz LPOAPPNBHRGEAK-GTAWCEEGSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000715532370 1090628308 /nfs/dbraw/zinc/62/83/08/1090628308.db2.gz LPOAPPNBHRGEAK-GTAWCEEGSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206717273 1090648485 /nfs/dbraw/zinc/64/84/85/1090648485.db2.gz FZYWFAMTWJSVPL-GOSISDBHSA-N 2 1 320.452 3.293 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168667980 1090689086 /nfs/dbraw/zinc/68/90/86/1090689086.db2.gz BKPMLFAHGORONQ-PKOBYXMFSA-N 2 1 320.477 3.189 20 0 DGADMP CCc1[nH]c(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c(C)[nH+]1 ZINC001203236221 1090707739 /nfs/dbraw/zinc/70/77/39/1090707739.db2.gz GVOIXFQHDVVYIA-UHFFFAOYSA-N 2 1 316.493 3.121 20 0 DGADMP CCc1[nH]c(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)c(C)[nH+]1 ZINC001203236221 1090707749 /nfs/dbraw/zinc/70/77/49/1090707749.db2.gz GVOIXFQHDVVYIA-UHFFFAOYSA-N 2 1 316.493 3.121 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185621 1090782112 /nfs/dbraw/zinc/78/21/12/1090782112.db2.gz CBAJPIBPHVRZJD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001203760616 1090798852 /nfs/dbraw/zinc/79/88/52/1090798852.db2.gz QTOSFYDNXOGQAA-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203991199 1090860908 /nfs/dbraw/zinc/86/09/08/1090860908.db2.gz FHFUSRARMMSTBD-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203991199 1090860921 /nfs/dbraw/zinc/86/09/21/1090860921.db2.gz FHFUSRARMMSTBD-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203991199 1090860933 /nfs/dbraw/zinc/86/09/33/1090860933.db2.gz FHFUSRARMMSTBD-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203991199 1090860944 /nfs/dbraw/zinc/86/09/44/1090860944.db2.gz FHFUSRARMMSTBD-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276433559 1090862018 /nfs/dbraw/zinc/86/20/18/1090862018.db2.gz NGDHQVDWGBLWMR-GOSISDBHSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004911 1090865208 /nfs/dbraw/zinc/86/52/08/1090865208.db2.gz IYQHQQGMCQZWGA-FFZOFVMBSA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004911 1090865210 /nfs/dbraw/zinc/86/52/10/1090865210.db2.gz IYQHQQGMCQZWGA-FFZOFVMBSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004911 1090865213 /nfs/dbraw/zinc/86/52/13/1090865213.db2.gz IYQHQQGMCQZWGA-FFZOFVMBSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@@H]21 ZINC001204004911 1090865216 /nfs/dbraw/zinc/86/52/16/1090865216.db2.gz IYQHQQGMCQZWGA-FFZOFVMBSA-N 2 1 324.472 3.142 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001204052956 1090884665 /nfs/dbraw/zinc/88/46/65/1090884665.db2.gz XVZWZASTXWOCKV-KRWDZBQOSA-N 2 1 316.445 3.256 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001204052956 1090884670 /nfs/dbraw/zinc/88/46/70/1090884670.db2.gz XVZWZASTXWOCKV-KRWDZBQOSA-N 2 1 316.445 3.256 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@@H]34)s2)o1 ZINC001204088914 1090897904 /nfs/dbraw/zinc/89/79/04/1090897904.db2.gz IMFMBHDXWHDWME-BPLDGKMQSA-N 2 1 317.458 3.141 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)s2)o1 ZINC001204088914 1090897909 /nfs/dbraw/zinc/89/79/09/1090897909.db2.gz IMFMBHDXWHDWME-BPLDGKMQSA-N 2 1 317.458 3.141 20 0 DGADMP COc1[nH+]ccc(N)c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204094838 1090901573 /nfs/dbraw/zinc/90/15/73/1090901573.db2.gz PAINXHGUGOYHHH-UHFFFAOYSA-N 2 1 312.417 3.402 20 0 DGADMP CCCOc1ccc(CN2C[C@@H]3C[N@H+](CCC)C[C@@H]3C2)cc1 ZINC001204309087 1090946429 /nfs/dbraw/zinc/94/64/29/1090946429.db2.gz BPTWPQFAMPSXEU-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001204309087 1090946431 /nfs/dbraw/zinc/94/64/31/1090946431.db2.gz BPTWPQFAMPSXEU-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001204309087 1090946433 /nfs/dbraw/zinc/94/64/33/1090946433.db2.gz BPTWPQFAMPSXEU-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC)C[C@H]3C2)cc1 ZINC001204309087 1090946435 /nfs/dbraw/zinc/94/64/35/1090946435.db2.gz BPTWPQFAMPSXEU-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC)C[C@H]3C2)cc1 ZINC001204309087 1090946439 /nfs/dbraw/zinc/94/64/39/1090946439.db2.gz BPTWPQFAMPSXEU-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1C ZINC001204351212 1090953958 /nfs/dbraw/zinc/95/39/58/1090953958.db2.gz IABFDIICAPUSQI-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CCN(C)C)C[C@H]2CC1 ZINC001276463682 1090966518 /nfs/dbraw/zinc/96/65/18/1090966518.db2.gz ZYDZKGLLNDDYEJ-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]2CC1 ZINC001276463682 1090966523 /nfs/dbraw/zinc/96/65/23/1090966523.db2.gz ZYDZKGLLNDDYEJ-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]2CC1 ZINC001276463682 1090966527 /nfs/dbraw/zinc/96/65/27/1090966527.db2.gz ZYDZKGLLNDDYEJ-AQNXPRMDSA-N 2 1 323.569 3.408 20 0 DGADMP Cc1nc[nH]c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001204602893 1091005545 /nfs/dbraw/zinc/00/55/45/1091005545.db2.gz AWXBWFQYVGUNOG-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204602893 1091005551 /nfs/dbraw/zinc/00/55/51/1091005551.db2.gz AWXBWFQYVGUNOG-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204602893 1091005556 /nfs/dbraw/zinc/00/55/56/1091005556.db2.gz AWXBWFQYVGUNOG-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP c1c(C[N@H+]2CCc3ccccc3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001204604381 1091006196 /nfs/dbraw/zinc/00/61/96/1091006196.db2.gz LNTFXGAXRXBKNO-UHFFFAOYSA-N 2 1 317.436 3.303 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204691577 1091017998 /nfs/dbraw/zinc/01/79/98/1091017998.db2.gz IZGCVXIGDQVUOQ-UHFFFAOYSA-N 2 1 309.457 3.215 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204691577 1091018005 /nfs/dbraw/zinc/01/80/05/1091018005.db2.gz IZGCVXIGDQVUOQ-UHFFFAOYSA-N 2 1 309.457 3.215 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735213 1091025166 /nfs/dbraw/zinc/02/51/66/1091025166.db2.gz OOCUGIXLYGBHOC-UHFFFAOYSA-N 2 1 324.415 3.329 20 0 DGADMP Fc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2c(c1)CCCO2 ZINC001204742361 1091027446 /nfs/dbraw/zinc/02/74/46/1091027446.db2.gz LXWJLJMQTHKOSI-UHFFFAOYSA-N 2 1 318.436 3.116 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CCO1 ZINC001204755679 1091030507 /nfs/dbraw/zinc/03/05/07/1091030507.db2.gz HMIAZJPIGWEHAS-IBGZPJMESA-N 2 1 314.404 3.042 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCO1 ZINC001204755817 1091032239 /nfs/dbraw/zinc/03/22/39/1091032239.db2.gz IYHOVYLWMPDFSW-HNNXBMFYSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCO1 ZINC001204755817 1091032248 /nfs/dbraw/zinc/03/22/48/1091032248.db2.gz IYHOVYLWMPDFSW-HNNXBMFYSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(/C=C/c4ccccc4)cc3)C[C@H]21 ZINC001204918558 1091062554 /nfs/dbraw/zinc/06/25/54/1091062554.db2.gz HINRCXSRKJYGDW-FLVXVBNRSA-N 2 1 304.437 3.494 20 0 DGADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)cc2)c1 ZINC001204918823 1091062952 /nfs/dbraw/zinc/06/29/52/1091062952.db2.gz NJDCOGMQJRIUNE-MZADTFQBSA-N 2 1 321.468 3.399 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cccnc3s1)C2 ZINC001276477854 1091065815 /nfs/dbraw/zinc/06/58/15/1091065815.db2.gz HGRMQYHFZAEGFF-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cccnc3s1)C2 ZINC001276477854 1091065821 /nfs/dbraw/zinc/06/58/21/1091065821.db2.gz HGRMQYHFZAEGFF-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3cccnc3s1)C2 ZINC001276477854 1091065828 /nfs/dbraw/zinc/06/58/28/1091065828.db2.gz HGRMQYHFZAEGFF-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3cccnc3s1)C2 ZINC001276477854 1091065834 /nfs/dbraw/zinc/06/58/34/1091065834.db2.gz HGRMQYHFZAEGFF-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204939673 1091067106 /nfs/dbraw/zinc/06/71/06/1091067106.db2.gz SDBNJKHFGZPMQL-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204939673 1091067112 /nfs/dbraw/zinc/06/71/12/1091067112.db2.gz SDBNJKHFGZPMQL-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cc3c(cccc3Br)[nH]2)CC1 ZINC001205054192 1091091313 /nfs/dbraw/zinc/09/13/13/1091091313.db2.gz ZXSULHFPRFDQSW-UHFFFAOYSA-N 2 1 322.250 3.101 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001205053910 1091091394 /nfs/dbraw/zinc/09/13/94/1091091394.db2.gz UVLPIUJOZMQQGO-UHFFFAOYSA-N 2 1 308.294 3.154 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001205219724 1091134779 /nfs/dbraw/zinc/13/47/79/1091134779.db2.gz GKKIQBBZDGJHHR-MRXNPFEDSA-N 2 1 322.499 3.152 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3nccnc23)CC1 ZINC001138310047 1091137144 /nfs/dbraw/zinc/13/71/44/1091137144.db2.gz YZBWMSVAKLJGNW-UHFFFAOYSA-N 2 1 312.461 3.326 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)cc2)c1 ZINC001205242651 1091146014 /nfs/dbraw/zinc/14/60/14/1091146014.db2.gz ZAVNKBMXSUGSHZ-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001205287676 1091166053 /nfs/dbraw/zinc/16/60/53/1091166053.db2.gz AOSUXZKMLVTULK-GOSISDBHSA-N 2 1 305.441 3.129 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001138410385 1091173695 /nfs/dbraw/zinc/17/36/95/1091173695.db2.gz ARNHMHFHWZAPKX-GOSISDBHSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001138410385 1091173696 /nfs/dbraw/zinc/17/36/96/1091173696.db2.gz ARNHMHFHWZAPKX-GOSISDBHSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001138410385 1091173699 /nfs/dbraw/zinc/17/36/99/1091173699.db2.gz ARNHMHFHWZAPKX-GOSISDBHSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001138410385 1091173701 /nfs/dbraw/zinc/17/37/01/1091173701.db2.gz ARNHMHFHWZAPKX-GOSISDBHSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001138410385 1091173705 /nfs/dbraw/zinc/17/37/05/1091173705.db2.gz ARNHMHFHWZAPKX-GOSISDBHSA-N 2 1 301.409 3.143 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC001205304015 1091175029 /nfs/dbraw/zinc/17/50/29/1091175029.db2.gz MUTVELXPEVQFKZ-ZBFHGGJFSA-N 2 1 313.420 3.304 20 0 DGADMP COCC[N@H+](Cc1cc2cc(C)ccc2[nH]1)C1CCN(C)CC1 ZINC001138415999 1091175697 /nfs/dbraw/zinc/17/56/97/1091175697.db2.gz PVHWUFRYXVNVDR-UHFFFAOYSA-N 2 1 315.461 3.019 20 0 DGADMP COCC[N@@H+](Cc1cc2cc(C)ccc2[nH]1)C1CCN(C)CC1 ZINC001138415999 1091175705 /nfs/dbraw/zinc/17/57/05/1091175705.db2.gz PVHWUFRYXVNVDR-UHFFFAOYSA-N 2 1 315.461 3.019 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317756 1091182559 /nfs/dbraw/zinc/18/25/59/1091182559.db2.gz PYZUYMLYEGURAX-AAEUAGOBSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317756 1091182563 /nfs/dbraw/zinc/18/25/63/1091182563.db2.gz PYZUYMLYEGURAX-AAEUAGOBSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC001205318977 1091184151 /nfs/dbraw/zinc/18/41/51/1091184151.db2.gz XKCMHPAWDJMSPG-UONOGXRCSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC001205318977 1091184154 /nfs/dbraw/zinc/18/41/54/1091184154.db2.gz XKCMHPAWDJMSPG-UONOGXRCSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1CCCc1ccc(Br)cc1 ZINC001205326471 1091187077 /nfs/dbraw/zinc/18/70/77/1091187077.db2.gz ZOXKKPKMBCBGAY-CYBMUJFWSA-N 2 1 311.267 3.066 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205546053 1091247610 /nfs/dbraw/zinc/24/76/10/1091247610.db2.gz PSJZHLPJCQVQDJ-HNNXBMFYSA-N 2 1 318.358 3.401 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC001205545443 1091248008 /nfs/dbraw/zinc/24/80/08/1091248008.db2.gz HHLVNDVAPWGVHF-AWEZNQCLSA-N 2 1 315.230 3.102 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205558015 1091251614 /nfs/dbraw/zinc/25/16/14/1091251614.db2.gz AMIBARBQMAOVPY-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001205554154 1091252320 /nfs/dbraw/zinc/25/23/20/1091252320.db2.gz AMKQJSUPOSNIKR-LJQANCHMSA-N 3 1 307.526 3.105 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@H]2CCCN2C2CCCCC2)CC1 ZINC001205554154 1091252328 /nfs/dbraw/zinc/25/23/28/1091252328.db2.gz AMKQJSUPOSNIKR-LJQANCHMSA-N 2 1 307.526 3.105 20 0 DGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205558947 1091252873 /nfs/dbraw/zinc/25/28/73/1091252873.db2.gz LYMDSPRYYNLEIG-OAHLLOKOSA-N 2 1 302.796 3.440 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccn2-c2ccccc2F)CC1 ZINC001205559809 1091255519 /nfs/dbraw/zinc/25/55/19/1091255519.db2.gz UWVBBUXIBHWZHH-GOSISDBHSA-N 2 1 319.399 3.269 20 0 DGADMP CCOc1cc(F)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1 ZINC001205570018 1091258300 /nfs/dbraw/zinc/25/83/00/1091258300.db2.gz CPACSVRWDQKKQM-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1 ZINC001205570018 1091258305 /nfs/dbraw/zinc/25/83/05/1091258305.db2.gz CPACSVRWDQKKQM-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205571279 1091258944 /nfs/dbraw/zinc/25/89/44/1091258944.db2.gz SHZAJWYZCARSKE-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001205571818 1091259690 /nfs/dbraw/zinc/25/96/90/1091259690.db2.gz YNFIRLPJTVDYGU-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001205571818 1091259682 /nfs/dbraw/zinc/25/96/82/1091259682.db2.gz YNFIRLPJTVDYGU-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001205578537 1091265036 /nfs/dbraw/zinc/26/50/36/1091265036.db2.gz FBTDCLKFEQBCDK-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001205578537 1091265043 /nfs/dbraw/zinc/26/50/43/1091265043.db2.gz FBTDCLKFEQBCDK-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC001205578576 1091265097 /nfs/dbraw/zinc/26/50/97/1091265097.db2.gz GBNBBUREMUGZKN-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC001205578576 1091265105 /nfs/dbraw/zinc/26/51/05/1091265105.db2.gz GBNBBUREMUGZKN-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591767 1091269439 /nfs/dbraw/zinc/26/94/39/1091269439.db2.gz PBNRNZBXPTVSAU-QGZVFWFLSA-N 2 1 312.404 3.266 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001205592311 1091269833 /nfs/dbraw/zinc/26/98/33/1091269833.db2.gz SIMAXZARAPCLIB-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592465 1091270022 /nfs/dbraw/zinc/27/00/22/1091270022.db2.gz UOJAYSDYIWXEMF-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1SC ZINC001205591315 1091270262 /nfs/dbraw/zinc/27/02/62/1091270262.db2.gz KFLRXTWBHRVVEU-MRXNPFEDSA-N 2 1 312.454 3.070 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC001205618815 1091284884 /nfs/dbraw/zinc/28/48/84/1091284884.db2.gz YYTKPUDGDAHYPG-ZFWWWQNUSA-N 2 1 316.424 3.023 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1F ZINC001205629142 1091288090 /nfs/dbraw/zinc/28/80/90/1091288090.db2.gz XTBKPUNRIJICLQ-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205637666 1091290522 /nfs/dbraw/zinc/29/05/22/1091290522.db2.gz IDVANCGROUHOJU-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@@H]1C[NH3+] ZINC001205637645 1091293190 /nfs/dbraw/zinc/29/31/90/1091293190.db2.gz ICBJVBRBFVHJCV-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651373 1091296345 /nfs/dbraw/zinc/29/63/45/1091296345.db2.gz DESGBUSWZJCWNL-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1F ZINC001205652048 1091298752 /nfs/dbraw/zinc/29/87/52/1091298752.db2.gz NQHFBUPBHUZSAK-ZBFHGGJFSA-N 2 1 308.441 3.420 20 0 DGADMP c1cc2c[nH+]cc(-c3ccc(CC[NH+]4CCOCC4)cc3)c2[nH]1 ZINC001205655348 1091300913 /nfs/dbraw/zinc/30/09/13/1091300913.db2.gz VBJVHPYHUUNPNO-UHFFFAOYSA-N 2 1 307.397 3.105 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(OC)c(C)c3C)C[C@@H]2C1 ZINC001138727417 1091303526 /nfs/dbraw/zinc/30/35/26/1091303526.db2.gz OTPCOUBIOLRELI-CALCHBBNSA-N 2 1 302.462 3.004 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(OC)c(C)c3C)C[C@@H]2C1 ZINC001138727417 1091303535 /nfs/dbraw/zinc/30/35/35/1091303535.db2.gz OTPCOUBIOLRELI-CALCHBBNSA-N 2 1 302.462 3.004 20 0 DGADMP COc1cc(C)c(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(C)c1C ZINC001138727913 1091305454 /nfs/dbraw/zinc/30/54/54/1091305454.db2.gz XCSKWTRPNFBHLT-AEFFLSMTSA-N 2 1 302.462 3.146 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCC[C@@H]1C ZINC001138770224 1091322189 /nfs/dbraw/zinc/32/21/89/1091322189.db2.gz TYMHCVJHZSAPDH-IRXDYDNUSA-N 2 1 304.478 3.495 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001138772405 1091322669 /nfs/dbraw/zinc/32/26/69/1091322669.db2.gz KKWKKTABHBPZHV-CQSZACIVSA-N 2 1 316.367 3.011 20 0 DGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccnc1 ZINC001138772090 1091323006 /nfs/dbraw/zinc/32/30/06/1091323006.db2.gz GQWZPKDPNREMOI-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@](C)(F)CC2)cc1 ZINC001138769836 1091323701 /nfs/dbraw/zinc/32/37/01/1091323701.db2.gz KITKTJPRULUABW-SFHVURJKSA-N 2 1 308.441 3.341 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205726255 1091324065 /nfs/dbraw/zinc/32/40/65/1091324065.db2.gz RYEXXQDCMDUMLC-MRXNPFEDSA-N 2 1 322.499 3.152 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001138772500 1091324257 /nfs/dbraw/zinc/32/42/57/1091324257.db2.gz NUYPHDGZBISASV-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CCC1(F)F ZINC001205762181 1091337989 /nfs/dbraw/zinc/33/79/89/1091337989.db2.gz KKSYEEWQAIGDEM-KRWDZBQOSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CCC1(F)F ZINC001205762181 1091338000 /nfs/dbraw/zinc/33/80/00/1091338000.db2.gz KKSYEEWQAIGDEM-KRWDZBQOSA-N 2 1 317.383 3.165 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138826476 1091346047 /nfs/dbraw/zinc/34/60/47/1091346047.db2.gz ZSUCRHJAZSHUIN-UHFFFAOYSA-N 2 1 307.397 3.458 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccncc4C)C[C@H]3C2)cc1 ZINC001205843736 1091374814 /nfs/dbraw/zinc/37/48/14/1091374814.db2.gz YEGXLSBFJJRWRU-NHCUHLMSSA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccncc4C)C[C@@H]3C2)cc1 ZINC001205843744 1091375295 /nfs/dbraw/zinc/37/52/95/1091375295.db2.gz YEGXLSBFJJRWRU-SFTDATJTSA-N 2 1 321.468 3.262 20 0 DGADMP Cc1c[nH]c(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001138938972 1091384646 /nfs/dbraw/zinc/38/46/46/1091384646.db2.gz CPBXEYQNEGRPIE-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP Cc1c[nH]c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001138938972 1091384654 /nfs/dbraw/zinc/38/46/54/1091384654.db2.gz CPBXEYQNEGRPIE-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@H]2C1 ZINC001138970027 1091399143 /nfs/dbraw/zinc/39/91/43/1091399143.db2.gz CEHMUNUBHHEYPN-QZTJIDSGSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904670 1091402397 /nfs/dbraw/zinc/40/23/97/1091402397.db2.gz WHZZPWOLDIYFRR-NVXWUHKLSA-N 2 1 311.429 3.433 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904670 1091402399 /nfs/dbraw/zinc/40/23/99/1091402399.db2.gz WHZZPWOLDIYFRR-NVXWUHKLSA-N 2 1 311.429 3.433 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OCC)c1 ZINC001138978040 1091406263 /nfs/dbraw/zinc/40/62/63/1091406263.db2.gz LYRLQYZBJCLAHC-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(C(F)(F)F)c1 ZINC001205912831 1091408096 /nfs/dbraw/zinc/40/80/96/1091408096.db2.gz CXTBMIBZCFRMPU-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(C(F)(F)F)c1 ZINC001205912831 1091408102 /nfs/dbraw/zinc/40/81/02/1091408102.db2.gz CXTBMIBZCFRMPU-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205914818 1091409624 /nfs/dbraw/zinc/40/96/24/1091409624.db2.gz OAUUZWHHXJHPIU-BEFAXECRSA-N 2 1 311.473 3.465 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001205914870 1091409853 /nfs/dbraw/zinc/40/98/53/1091409853.db2.gz OIFHBZQZJQUBCG-QWHCGFSZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001205915654 1091409982 /nfs/dbraw/zinc/40/99/82/1091409982.db2.gz QBUAMCBRWGMTAQ-KGLIPLIRSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001205917190 1091412269 /nfs/dbraw/zinc/41/22/69/1091412269.db2.gz XHNZSDUUKKITAB-RHSMWYFYSA-N 2 1 313.420 3.447 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1C ZINC001205923147 1091416038 /nfs/dbraw/zinc/41/60/38/1091416038.db2.gz JPQKLDMTEXWOMH-RDJZCZTQSA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1C ZINC001205923147 1091416040 /nfs/dbraw/zinc/41/60/40/1091416040.db2.gz JPQKLDMTEXWOMH-RDJZCZTQSA-N 2 1 305.466 3.128 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139039838 1091427394 /nfs/dbraw/zinc/42/73/94/1091427394.db2.gz BNZQQSOYUUXMNF-ROUUACIJSA-N 2 1 304.482 3.132 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139039838 1091427399 /nfs/dbraw/zinc/42/73/99/1091427399.db2.gz BNZQQSOYUUXMNF-ROUUACIJSA-N 2 1 304.482 3.132 20 0 DGADMP CCCn1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001139039838 1091427403 /nfs/dbraw/zinc/42/74/03/1091427403.db2.gz BNZQQSOYUUXMNF-ROUUACIJSA-N 2 1 304.482 3.132 20 0 DGADMP CCCn1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001139039838 1091427407 /nfs/dbraw/zinc/42/74/07/1091427407.db2.gz BNZQQSOYUUXMNF-ROUUACIJSA-N 2 1 304.482 3.132 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CCC[C@H]1C[NH3+] ZINC001205992067 1091439074 /nfs/dbraw/zinc/43/90/74/1091439074.db2.gz DFJWTIISRVEHSC-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CCC[C@H]1C[NH3+] ZINC001205993553 1091439776 /nfs/dbraw/zinc/43/97/76/1091439776.db2.gz IBPZIQMSQQORKA-SJORKVTESA-N 2 1 301.478 3.094 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205996164 1091441484 /nfs/dbraw/zinc/44/14/84/1091441484.db2.gz VPJZUMCOAQKXHN-JSGCOSHPSA-N 2 1 316.367 3.392 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205996400 1091442003 /nfs/dbraw/zinc/44/20/03/1091442003.db2.gz WVWLVKBSPGCXLE-JSGCOSHPSA-N 2 1 303.425 3.422 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004464 1091446070 /nfs/dbraw/zinc/44/60/70/1091446070.db2.gz SMTXHCWMHVBUDF-YOEHRIQHSA-N 2 1 313.445 3.457 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cscc2Br)CCC[C@H]1C[NH3+] ZINC001206005332 1091446501 /nfs/dbraw/zinc/44/65/01/1091446501.db2.gz XUJXPVDAGDHCLL-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206012254 1091449207 /nfs/dbraw/zinc/44/92/07/1091449207.db2.gz JHXLHDYHHCNVKL-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206012253 1091449312 /nfs/dbraw/zinc/44/93/12/1091449312.db2.gz JHXLHDYHHCNVKL-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC001206011243 1091450224 /nfs/dbraw/zinc/45/02/24/1091450224.db2.gz AWRIXSLCSWTGIB-HUUCEWRRSA-N 2 1 313.445 3.050 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC(C)C)c1 ZINC001206024132 1091454979 /nfs/dbraw/zinc/45/49/79/1091454979.db2.gz HYBMKUVPCNHQMA-HOTGVXAUSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206021611 1091455244 /nfs/dbraw/zinc/45/52/44/1091455244.db2.gz ALJXZCIFMBGXJV-DGCLKSJQSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CCC[C@@H]1C[NH3+] ZINC001206022205 1091455466 /nfs/dbraw/zinc/45/54/66/1091455466.db2.gz BLTKFOBBTLRPSO-UONOGXRCSA-N 2 1 301.409 3.181 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1SC ZINC001206037119 1091462977 /nfs/dbraw/zinc/46/29/77/1091462977.db2.gz UUVKPTSXQGNUBQ-UKRRQHHQSA-N 2 1 308.491 3.224 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)c2ccc(OC)cc12 ZINC001139149873 1091464849 /nfs/dbraw/zinc/46/48/49/1091464849.db2.gz OHDURAUQYAODCW-UHFFFAOYSA-N 2 1 317.477 3.351 20 0 DGADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)co1 ZINC001206060696 1091474684 /nfs/dbraw/zinc/47/46/84/1091474684.db2.gz HWTCOVXYDNMCOD-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)co1 ZINC001206060696 1091474691 /nfs/dbraw/zinc/47/46/91/1091474691.db2.gz HWTCOVXYDNMCOD-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP COCC[N@@H+](Cc1c[nH]c2cccc(C)c12)C1CCN(C)CC1 ZINC001139197122 1091484182 /nfs/dbraw/zinc/48/41/82/1091484182.db2.gz GJDJUKVRVPCEEW-UHFFFAOYSA-N 2 1 315.461 3.019 20 0 DGADMP N[C@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@@H]1F ZINC001206153167 1091511880 /nfs/dbraw/zinc/51/18/80/1091511880.db2.gz CCVIJWRHHCOYFP-ROUUACIJSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCCCOCc2ccccc2)CC[C@@H]1F ZINC001206153167 1091511890 /nfs/dbraw/zinc/51/18/90/1091511890.db2.gz CCVIJWRHHCOYFP-ROUUACIJSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@@H]1F ZINC001206153167 1091511896 /nfs/dbraw/zinc/51/18/96/1091511896.db2.gz CCVIJWRHHCOYFP-ROUUACIJSA-N 2 1 308.441 3.135 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206172608 1091519412 /nfs/dbraw/zinc/51/94/12/1091519412.db2.gz AXMDDRXIRWVJEI-ZIAGYGMSSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206172608 1091519420 /nfs/dbraw/zinc/51/94/20/1091519420.db2.gz AXMDDRXIRWVJEI-ZIAGYGMSSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206172606 1091519690 /nfs/dbraw/zinc/51/96/90/1091519690.db2.gz AXMDDRXIRWVJEI-KGLIPLIRSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206172606 1091519692 /nfs/dbraw/zinc/51/96/92/1091519692.db2.gz AXMDDRXIRWVJEI-KGLIPLIRSA-N 2 1 304.331 3.275 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2nccs2)CC[C@H]1F ZINC001206173498 1091521019 /nfs/dbraw/zinc/52/10/19/1091521019.db2.gz HRGCRCWLLOOHOR-CABCVRRESA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@@H]1F ZINC001206199675 1091532680 /nfs/dbraw/zinc/53/26/80/1091532680.db2.gz OWXSSUQIMJDWNQ-GJZGRUSLSA-N 2 1 323.799 3.256 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@@H]1F ZINC001206199675 1091532688 /nfs/dbraw/zinc/53/26/88/1091532688.db2.gz OWXSSUQIMJDWNQ-GJZGRUSLSA-N 2 1 323.799 3.256 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)cc2)cc1 ZINC001206269487 1091557877 /nfs/dbraw/zinc/55/78/77/1091557877.db2.gz OAMIESFKDYYQDE-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)cc2)cc1 ZINC001206269487 1091557885 /nfs/dbraw/zinc/55/78/85/1091557885.db2.gz OAMIESFKDYYQDE-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[NH+]1CCCC1 ZINC001206302271 1091567495 /nfs/dbraw/zinc/56/74/95/1091567495.db2.gz GXQVSBVBLAQOQD-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)[nH]1 ZINC001206305217 1091571195 /nfs/dbraw/zinc/57/11/95/1091571195.db2.gz WFPRIVMYTOKKMM-INIZCTEOSA-N 2 1 312.889 3.357 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)CC[NH+](C)C)c2C1 ZINC001295453094 1091572235 /nfs/dbraw/zinc/57/22/35/1091572235.db2.gz FPJYHHSYLIXQLA-OAHLLOKOSA-N 2 1 317.477 3.185 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001206311381 1091572855 /nfs/dbraw/zinc/57/28/55/1091572855.db2.gz NHGISBSPXPHXMO-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c1F ZINC001206311081 1091573146 /nfs/dbraw/zinc/57/31/46/1091573146.db2.gz IBTRZURMKHVOTI-QGZVFWFLSA-N 2 1 312.404 3.314 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cncc(Cl)c2Cl)CC1 ZINC001206327438 1091581048 /nfs/dbraw/zinc/58/10/48/1091581048.db2.gz WKXYZZCGPCISDD-CQSZACIVSA-N 2 1 302.249 3.339 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001206316735 1091575561 /nfs/dbraw/zinc/57/55/61/1091575561.db2.gz DGKSOUBFLSTYSS-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC(C)C)c1 ZINC001206324732 1091579589 /nfs/dbraw/zinc/57/95/89/1091579589.db2.gz CRXXOCJQEQAXAB-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001206326552 1091580878 /nfs/dbraw/zinc/58/08/78/1091580878.db2.gz PCGHNYUVYGPQNQ-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP CCC1(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)COC1 ZINC001202958213 1091638245 /nfs/dbraw/zinc/63/82/45/1091638245.db2.gz MCENDLVJMJGZHF-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC001206499702 1091651054 /nfs/dbraw/zinc/65/10/54/1091651054.db2.gz ACIAPCBEDSWZGQ-BPQIPLTHSA-N 2 1 324.509 3.051 20 0 DGADMP CC1(C)CCC(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206500691 1091651400 /nfs/dbraw/zinc/65/14/00/1091651400.db2.gz PHWYOHRQIQFEOQ-RBUKOAKNSA-N 2 1 316.489 3.122 20 0 DGADMP CCC1(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)COC1 ZINC001202965319 1091657692 /nfs/dbraw/zinc/65/76/92/1091657692.db2.gz ZFOJRGXZCQVCOI-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP CCC1(C[N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)COC1 ZINC001202966369 1091660001 /nfs/dbraw/zinc/66/00/01/1091660001.db2.gz VXUGITLUILTYOS-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP COc1nc2ccccc2cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206547718 1091665686 /nfs/dbraw/zinc/66/56/86/1091665686.db2.gz FNKXJXKCQNXORS-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206547718 1091665692 /nfs/dbraw/zinc/66/56/92/1091665692.db2.gz FNKXJXKCQNXORS-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001206547725 1091665743 /nfs/dbraw/zinc/66/57/43/1091665743.db2.gz FPRGGDPYDGHWKT-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)C1 ZINC001206556238 1091668841 /nfs/dbraw/zinc/66/88/41/1091668841.db2.gz PEUPSTNSYAJZCQ-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206565520 1091671742 /nfs/dbraw/zinc/67/17/42/1091671742.db2.gz UBOUKSHARJGKRS-HXUWFJFHSA-N 2 1 324.472 3.403 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N3CCCCC3)n2)C1 ZINC001206575787 1091674469 /nfs/dbraw/zinc/67/44/69/1091674469.db2.gz YSMDJLUFUMMLPY-IBGZPJMESA-N 2 1 316.493 3.023 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c2c1ccnc2Cl ZINC001206580515 1091676335 /nfs/dbraw/zinc/67/63/35/1091676335.db2.gz DGTBXYOUNKYXOM-KRWDZBQOSA-N 2 1 320.868 3.178 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc21 ZINC001206581087 1091676607 /nfs/dbraw/zinc/67/66/07/1091676607.db2.gz IGYYPKMRYXQCPO-LJQANCHMSA-N 2 1 301.478 3.020 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206591009 1091680667 /nfs/dbraw/zinc/68/06/67/1091680667.db2.gz OZJXGWDFMNVSLZ-QGZVFWFLSA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1OCC ZINC001206615543 1091690002 /nfs/dbraw/zinc/69/00/02/1091690002.db2.gz IAJZXQQMSPPNGU-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(OCC)c1 ZINC001206616393 1091690196 /nfs/dbraw/zinc/69/01/96/1091690196.db2.gz NSGNOMRLLOTTOY-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001206673115 1091700145 /nfs/dbraw/zinc/70/01/45/1091700145.db2.gz CZBHUNXEHMEOJU-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC12CCCCC2 ZINC001206684565 1091700207 /nfs/dbraw/zinc/70/02/07/1091700207.db2.gz UDAUCWDXZZUKHB-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC12CCCCC2 ZINC001206684565 1091700212 /nfs/dbraw/zinc/70/02/12/1091700212.db2.gz UDAUCWDXZZUKHB-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP COCC[N@@H+](Cc1ccccc1C1CC1)C1CCN(C)CC1 ZINC001139882202 1091702567 /nfs/dbraw/zinc/70/25/67/1091702567.db2.gz IJTSVDZRIYVLEM-UHFFFAOYSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(N)cc3Cl)CC2)C1 ZINC001276491706 1091713450 /nfs/dbraw/zinc/71/34/50/1091713450.db2.gz IUEHGTDUTXBEAY-UHFFFAOYSA-N 2 1 307.869 3.230 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2cccc(Br)c12 ZINC001139965561 1091726389 /nfs/dbraw/zinc/72/63/89/1091726389.db2.gz SGCFYQHAJKYLNU-UHFFFAOYSA-N 2 1 324.266 3.314 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2cccc(Br)c12 ZINC001139965561 1091726398 /nfs/dbraw/zinc/72/63/98/1091726398.db2.gz SGCFYQHAJKYLNU-UHFFFAOYSA-N 2 1 324.266 3.314 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206767422 1091730503 /nfs/dbraw/zinc/73/05/03/1091730503.db2.gz BDVDQEBEVRDEFA-GJZGRUSLSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206767422 1091730509 /nfs/dbraw/zinc/73/05/09/1091730509.db2.gz BDVDQEBEVRDEFA-GJZGRUSLSA-N 2 1 306.450 3.042 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001206768697 1091731170 /nfs/dbraw/zinc/73/11/70/1091731170.db2.gz LMAGUPYDCXOHER-ZBFHGGJFSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768089 1091732062 /nfs/dbraw/zinc/73/20/62/1091732062.db2.gz GZYOMAQLQMVYPV-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768089 1091732067 /nfs/dbraw/zinc/73/20/67/1091732067.db2.gz GZYOMAQLQMVYPV-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001206772220 1091733240 /nfs/dbraw/zinc/73/32/40/1091733240.db2.gz ZJNRTJSCGLWSLC-HOCLYGCPSA-N 2 1 318.461 3.201 20 0 DGADMP c1ccc(-c2cncnc2)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001140016309 1091738388 /nfs/dbraw/zinc/73/83/88/1091738388.db2.gz GQVABHDBDBHILS-UHFFFAOYSA-N 2 1 322.456 3.204 20 0 DGADMP CC[NH+](CC)[C@H]1CCN(Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140027105 1091744299 /nfs/dbraw/zinc/74/42/99/1091744299.db2.gz YMACXUICAKUVBZ-SFHVURJKSA-N 2 1 312.461 3.097 20 0 DGADMP O[C@@]1(C(F)(F)F)CCCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206810582 1091749753 /nfs/dbraw/zinc/74/97/53/1091749753.db2.gz OQBYOWVTCBSWHA-HNNXBMFYSA-N 2 1 322.415 3.078 20 0 DGADMP O[C@@]1(C(F)(F)F)CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206810582 1091749757 /nfs/dbraw/zinc/74/97/57/1091749757.db2.gz OQBYOWVTCBSWHA-HNNXBMFYSA-N 2 1 322.415 3.078 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1C ZINC001206812278 1091750819 /nfs/dbraw/zinc/75/08/19/1091750819.db2.gz YYTOQUZMVXXAIC-CVEARBPZSA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1C ZINC001206812278 1091750825 /nfs/dbraw/zinc/75/08/25/1091750825.db2.gz YYTOQUZMVXXAIC-CVEARBPZSA-N 2 1 305.466 3.128 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@@H]2C1 ZINC001140319729 1091824529 /nfs/dbraw/zinc/82/45/29/1091824529.db2.gz MMYPZRKDFOJSLZ-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-c3cccnc3)C[C@@H]2C1 ZINC001140319729 1091824537 /nfs/dbraw/zinc/82/45/37/1091824537.db2.gz MMYPZRKDFOJSLZ-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3-c3cccnc3)C[C@@H]2C1 ZINC001140319729 1091824539 /nfs/dbraw/zinc/82/45/39/1091824539.db2.gz MMYPZRKDFOJSLZ-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001140387043 1091845944 /nfs/dbraw/zinc/84/59/44/1091845944.db2.gz SHULZRJROHHCSY-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP Cc1ncccc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207148384 1091862894 /nfs/dbraw/zinc/86/28/94/1091862894.db2.gz VNSKHGKDSVQOTI-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP Cc1ncccc1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001207148384 1091862905 /nfs/dbraw/zinc/86/29/05/1091862905.db2.gz VNSKHGKDSVQOTI-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP Cc1ncccc1C[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001207148384 1091862914 /nfs/dbraw/zinc/86/29/14/1091862914.db2.gz VNSKHGKDSVQOTI-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP COC(=O)C1(C)CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168771054 1091864003 /nfs/dbraw/zinc/86/40/03/1091864003.db2.gz RITILOFBZLZORX-CSGOCMEYSA-N 2 1 324.509 3.336 20 0 DGADMP CN1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001276513187 1091873425 /nfs/dbraw/zinc/87/34/25/1091873425.db2.gz HLFXPWBLPANRJY-ZBFHGGJFSA-N 2 1 312.379 3.274 20 0 DGADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N(CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001276513187 1091873432 /nfs/dbraw/zinc/87/34/32/1091873432.db2.gz HLFXPWBLPANRJY-ZBFHGGJFSA-N 2 1 312.379 3.274 20 0 DGADMP C[N@H+]1C[C@H]2C[C@@H](C1)N(CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001276513187 1091873440 /nfs/dbraw/zinc/87/34/40/1091873440.db2.gz HLFXPWBLPANRJY-ZBFHGGJFSA-N 2 1 312.379 3.274 20 0 DGADMP c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001276513339 1091875973 /nfs/dbraw/zinc/87/59/73/1091875973.db2.gz JDKFCPDXAWPRQI-UHFFFAOYSA-N 2 1 316.493 3.278 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199815 1091886885 /nfs/dbraw/zinc/88/68/85/1091886885.db2.gz WJBGTBRAQFJKLP-NJAFHUGGSA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199815 1091886893 /nfs/dbraw/zinc/88/68/93/1091886893.db2.gz WJBGTBRAQFJKLP-NJAFHUGGSA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199815 1091886900 /nfs/dbraw/zinc/88/69/00/1091886900.db2.gz WJBGTBRAQFJKLP-NJAFHUGGSA-N 2 1 304.865 3.471 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207283963 1091909665 /nfs/dbraw/zinc/90/96/65/1091909665.db2.gz GFGATTRHDSVCHP-QGZVFWFLSA-N 2 1 318.461 3.198 20 0 DGADMP C[N@@H+](CCc1ccccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207284911 1091909969 /nfs/dbraw/zinc/90/99/69/1091909969.db2.gz UGSHOFXLDAUPDW-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001207282837 1091910382 /nfs/dbraw/zinc/91/03/82/1091910382.db2.gz WBCUDVZCTIKUMJ-SQNIBIBYSA-N 2 1 308.510 3.101 20 0 DGADMP CCC[N@@H+](CCOC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286092 1091912147 /nfs/dbraw/zinc/91/21/47/1091912147.db2.gz FGMKKZXPCPICGN-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP CC1(C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001207287653 1091912611 /nfs/dbraw/zinc/91/26/11/1091912611.db2.gz VMTVPSXAKHBWNC-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287339 1091913025 /nfs/dbraw/zinc/91/30/25/1091913025.db2.gz SZWNQMNRQKGSHP-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292769 1091914504 /nfs/dbraw/zinc/91/45/04/1091914504.db2.gz ZIWOQSFCVPJYCB-LJQANCHMSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn4c(cccc4Cl)n3)(C1)CCC2 ZINC001276524101 1091926702 /nfs/dbraw/zinc/92/67/02/1091926702.db2.gz WLSZCJCHZNHQKS-DLBZAZTESA-N 2 1 318.852 3.142 20 0 DGADMP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1CC1CC[NH2+]CC1 ZINC001207443068 1091971234 /nfs/dbraw/zinc/97/12/34/1091971234.db2.gz MCVWJPHWJSLJIT-GFCCVEGCSA-N 2 1 323.278 3.195 20 0 DGADMP C[NH+]1CCC(CC[N@@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001207487454 1091984349 /nfs/dbraw/zinc/98/43/49/1091984349.db2.gz JIMZVZRDKXGPSW-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001207487454 1091984355 /nfs/dbraw/zinc/98/43/55/1091984355.db2.gz JIMZVZRDKXGPSW-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207487214 1091985183 /nfs/dbraw/zinc/98/51/83/1091985183.db2.gz SXZGJLBVHLNIFP-SFHVURJKSA-N 2 1 315.505 3.097 20 0 DGADMP CC[N@H+](CCc1ccc(OC)cc1)CCC1CC[NH+](C)CC1 ZINC001207486886 1091985489 /nfs/dbraw/zinc/98/54/89/1091985489.db2.gz FKQMMOYOKRJGPY-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+](Cc3cnc4cc[nH]cc3-4)C2)cc1 ZINC001140802625 1092005277 /nfs/dbraw/zinc/00/52/77/1092005277.db2.gz BGCHPWUKOJZUOL-MRXNPFEDSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc4cc[nH]cc3-4)C2)cc1 ZINC001140802625 1092005288 /nfs/dbraw/zinc/00/52/88/1092005288.db2.gz BGCHPWUKOJZUOL-MRXNPFEDSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140802625 1092005293 /nfs/dbraw/zinc/00/52/93/1092005293.db2.gz BGCHPWUKOJZUOL-MRXNPFEDSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140802625 1092005304 /nfs/dbraw/zinc/00/53/04/1092005304.db2.gz BGCHPWUKOJZUOL-MRXNPFEDSA-N 2 1 311.360 3.355 20 0 DGADMP c1[nH]c2ccncc2c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140803415 1092009082 /nfs/dbraw/zinc/00/90/82/1092009082.db2.gz PLARGRZQPAPJQY-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)CCc1ccccc1Br ZINC001207534198 1092013645 /nfs/dbraw/zinc/01/36/45/1092013645.db2.gz QZOUEVGETFBPLZ-UHFFFAOYSA-N 2 1 313.283 3.265 20 0 DGADMP COc1cccc(CCCN2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001207572853 1092027120 /nfs/dbraw/zinc/02/71/20/1092027120.db2.gz NGJFKJCFNLETNF-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(CCC[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001207572853 1092027129 /nfs/dbraw/zinc/02/71/29/1092027129.db2.gz NGJFKJCFNLETNF-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(CCC[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001207572853 1092027142 /nfs/dbraw/zinc/02/71/42/1092027142.db2.gz NGJFKJCFNLETNF-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP Fc1cccc(CCCN2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001207601448 1092037150 /nfs/dbraw/zinc/03/71/50/1092037150.db2.gz JPIHQGHBIVFWLT-UHFFFAOYSA-N 2 1 302.437 3.176 20 0 DGADMP c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140934944 1092069062 /nfs/dbraw/zinc/06/90/62/1092069062.db2.gz GPDVBSHBDWWVKZ-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140934944 1092069065 /nfs/dbraw/zinc/06/90/65/1092069065.db2.gz GPDVBSHBDWWVKZ-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140934944 1092069073 /nfs/dbraw/zinc/06/90/73/1092069073.db2.gz GPDVBSHBDWWVKZ-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973946 1092087652 /nfs/dbraw/zinc/08/76/52/1092087652.db2.gz RFVPTTFRFYYECG-QGZVFWFLSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001140973694 1092088351 /nfs/dbraw/zinc/08/83/51/1092088351.db2.gz PAIYSQIUCNHSTR-SJORKVTESA-N 2 1 301.478 3.059 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001140999806 1092100081 /nfs/dbraw/zinc/10/00/81/1092100081.db2.gz HGOZHHKBJZMFOP-CABCVRRESA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001140999806 1092100085 /nfs/dbraw/zinc/10/00/85/1092100085.db2.gz HGOZHHKBJZMFOP-CABCVRRESA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001140999806 1092100092 /nfs/dbraw/zinc/10/00/92/1092100092.db2.gz HGOZHHKBJZMFOP-CABCVRRESA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+](CC)CC[C@H](NCC1CC[NH+](C)CC1)c1ccccc1 ZINC001207805966 1092106632 /nfs/dbraw/zinc/10/66/32/1092106632.db2.gz NZIMWRCRAAKBGD-FQEVSTJZSA-N 2 1 317.521 3.391 20 0 DGADMP CCN(CC)CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC001207805966 1092106637 /nfs/dbraw/zinc/10/66/37/1092106637.db2.gz NZIMWRCRAAKBGD-FQEVSTJZSA-N 2 1 317.521 3.391 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C34CCC4)[C@H]2C1 ZINC001207837883 1092112712 /nfs/dbraw/zinc/11/27/12/1092112712.db2.gz VCOQVENBIDGAMK-SMLCLMEVSA-N 2 1 306.494 3.043 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207851139 1092120616 /nfs/dbraw/zinc/12/06/16/1092120616.db2.gz TZYZNLRGBXVZOM-MSOLQXFVSA-N 2 1 318.461 3.135 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCO4)CC[C@@H]3C2)cc1 ZINC001207896656 1092132349 /nfs/dbraw/zinc/13/23/49/1092132349.db2.gz RUAROUXOODALNS-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]3C2)cc1 ZINC001207896656 1092132353 /nfs/dbraw/zinc/13/23/53/1092132353.db2.gz RUAROUXOODALNS-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]3C2)cc1 ZINC001207896656 1092132356 /nfs/dbraw/zinc/13/23/56/1092132356.db2.gz RUAROUXOODALNS-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC001207962284 1092160431 /nfs/dbraw/zinc/16/04/31/1092160431.db2.gz LLGNNQLJEVLXAW-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC001207962284 1092160434 /nfs/dbraw/zinc/16/04/34/1092160434.db2.gz LLGNNQLJEVLXAW-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP C[NH+]1CCC(C)(C[N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001208112878 1092200282 /nfs/dbraw/zinc/20/02/82/1092200282.db2.gz BQJCFWKWYJJGSD-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001208112878 1092200289 /nfs/dbraw/zinc/20/02/89/1092200289.db2.gz BQJCFWKWYJJGSD-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141185064 1092164601 /nfs/dbraw/zinc/16/46/01/1092164601.db2.gz ASPGGKVQCFNADO-ROUUACIJSA-N 2 1 314.473 3.174 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001208107148 1092198635 /nfs/dbraw/zinc/19/86/35/1092198635.db2.gz OPFRFERIASEUHB-SFHVURJKSA-N 3 1 307.526 3.059 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001208107585 1092198854 /nfs/dbraw/zinc/19/88/54/1092198854.db2.gz WLPMZJKZELPZAA-GOSISDBHSA-N 2 1 302.462 3.262 20 0 DGADMP Cc1ccc(N2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC001208181940 1092245550 /nfs/dbraw/zinc/24/55/50/1092245550.db2.gz BVDHNWMFVUJJSF-UHFFFAOYSA-N 2 1 315.505 3.239 20 0 DGADMP C[NH+](C)CC1(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)CCCC1 ZINC001208187781 1092249077 /nfs/dbraw/zinc/24/90/77/1092249077.db2.gz AAPGPHMYIJKAMB-KRWDZBQOSA-N 2 1 302.462 3.044 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)CCCC1 ZINC001208187781 1092249097 /nfs/dbraw/zinc/24/90/97/1092249097.db2.gz AAPGPHMYIJKAMB-KRWDZBQOSA-N 2 1 302.462 3.044 20 0 DGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331029 1092316047 /nfs/dbraw/zinc/31/60/47/1092316047.db2.gz JPHGSEAROXSCOR-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001208602121 1092421536 /nfs/dbraw/zinc/42/15/36/1092421536.db2.gz YLAITMUINQBOOG-SFHVURJKSA-N 2 1 302.462 3.216 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208602366 1092421955 /nfs/dbraw/zinc/42/19/55/1092421955.db2.gz DBEJHPNFTCTNAI-CQSZACIVSA-N 2 1 316.371 3.075 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208602366 1092421962 /nfs/dbraw/zinc/42/19/62/1092421962.db2.gz DBEJHPNFTCTNAI-CQSZACIVSA-N 2 1 316.371 3.075 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)c1 ZINC001208618816 1092431347 /nfs/dbraw/zinc/43/13/47/1092431347.db2.gz SJDXFGAQYAQCKC-WMZOPIPTSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208618816 1092431351 /nfs/dbraw/zinc/43/13/51/1092431351.db2.gz SJDXFGAQYAQCKC-WMZOPIPTSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208618816 1092431353 /nfs/dbraw/zinc/43/13/53/1092431353.db2.gz SJDXFGAQYAQCKC-WMZOPIPTSA-N 2 1 302.462 3.216 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)C2 ZINC001169093259 1092523405 /nfs/dbraw/zinc/52/34/05/1092523405.db2.gz GOVLGVZEGSCTJH-MUJYYYPQSA-N 2 1 308.853 3.324 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C2 ZINC001169082414 1092534523 /nfs/dbraw/zinc/53/45/23/1092534523.db2.gz ZGWIFUGZFABNAG-MUJYYYPQSA-N 2 1 312.379 3.463 20 0 DGADMP Cc1cc(C)cc(OC[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081703 1092534687 /nfs/dbraw/zinc/53/46/87/1092534687.db2.gz UYRFNZRPWWYQHN-XLAORIBOSA-N 2 1 302.462 3.286 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC001169092097 1092540120 /nfs/dbraw/zinc/54/01/20/1092540120.db2.gz XKKLWJAPZIJZHR-QKDCVEJESA-N 2 1 309.251 3.164 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC001169092097 1092540127 /nfs/dbraw/zinc/54/01/27/1092540127.db2.gz XKKLWJAPZIJZHR-QKDCVEJESA-N 2 1 309.251 3.164 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118752 1092542632 /nfs/dbraw/zinc/54/26/32/1092542632.db2.gz MSPBTUQFWIJJLI-GFXZNLHSSA-N 2 1 319.537 3.374 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118752 1092542644 /nfs/dbraw/zinc/54/26/44/1092542644.db2.gz MSPBTUQFWIJJLI-GFXZNLHSSA-N 3 1 319.537 3.374 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118752 1092542654 /nfs/dbraw/zinc/54/26/54/1092542654.db2.gz MSPBTUQFWIJJLI-GFXZNLHSSA-N 3 1 319.537 3.374 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118752 1092542660 /nfs/dbraw/zinc/54/26/60/1092542660.db2.gz MSPBTUQFWIJJLI-GFXZNLHSSA-N 3 1 319.537 3.374 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118752 1092542668 /nfs/dbraw/zinc/54/26/68/1092542668.db2.gz MSPBTUQFWIJJLI-GFXZNLHSSA-N 3 1 319.537 3.374 20 0 DGADMP COc1cccc(CC2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169120216 1092542967 /nfs/dbraw/zinc/54/29/67/1092542967.db2.gz ZQAOWSFJKHOQBV-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccc3ccccc31)C2 ZINC001169125283 1092544064 /nfs/dbraw/zinc/54/40/64/1092544064.db2.gz YFDYFXIHYKVARP-PDOICOKGSA-N 2 1 310.441 3.088 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccc3ccccc31)C2 ZINC001169125283 1092544072 /nfs/dbraw/zinc/54/40/72/1092544072.db2.gz YFDYFXIHYKVARP-PDOICOKGSA-N 2 1 310.441 3.088 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(OCc3ccccc3)CC1)C2 ZINC001169139660 1092550648 /nfs/dbraw/zinc/55/06/48/1092550648.db2.gz CUUIGKQOYXBOFY-REPLKXPHSA-N 2 1 314.473 3.293 20 0 DGADMP CCOC(=O)c1ccc(CCC[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC001208866852 1092552565 /nfs/dbraw/zinc/55/25/65/1092552565.db2.gz BAFSCHRLBYMHDS-UHFFFAOYSA-N 2 1 320.477 3.070 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169108369 1092554126 /nfs/dbraw/zinc/55/41/26/1092554126.db2.gz SDSNJMLVPPPZDF-MUJYYYPQSA-N 2 1 323.278 3.472 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001169109104 1092554218 /nfs/dbraw/zinc/55/42/18/1092554218.db2.gz HOTOLXVYIJHGLC-OWZKRDHZSA-N 3 1 319.537 3.103 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001169109104 1092554229 /nfs/dbraw/zinc/55/42/29/1092554229.db2.gz HOTOLXVYIJHGLC-OWZKRDHZSA-N 2 1 319.537 3.103 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(F)cc3)CC1)C2 ZINC001169141707 1092555661 /nfs/dbraw/zinc/55/56/61/1092555661.db2.gz SCTFEYFFGNMCIS-BJWYYQGGSA-N 2 1 318.436 3.294 20 0 DGADMP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169115286 1092555786 /nfs/dbraw/zinc/55/57/86/1092555786.db2.gz IDTSAJHUGIGUCR-QDMKHBRRSA-N 2 1 316.436 3.043 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3cccc(O)c3)CC1)C2 ZINC001169154705 1092566225 /nfs/dbraw/zinc/56/62/25/1092566225.db2.gz SMLWEAVHIZZZGD-PIIMJCKOSA-N 2 1 300.446 3.197 20 0 DGADMP C[C@@H](CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888265 1092569169 /nfs/dbraw/zinc/56/91/69/1092569169.db2.gz OXNKQKBEQAWZFY-RWMBFGLXSA-N 2 1 318.408 3.310 20 0 DGADMP C[C@@H](C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888265 1092569201 /nfs/dbraw/zinc/56/92/01/1092569201.db2.gz OXNKQKBEQAWZFY-RWMBFGLXSA-N 2 1 318.408 3.310 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888265 1092569215 /nfs/dbraw/zinc/56/92/15/1092569215.db2.gz OXNKQKBEQAWZFY-RWMBFGLXSA-N 2 1 318.408 3.310 20 0 DGADMP C[C@@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888265 1092569225 /nfs/dbraw/zinc/56/92/25/1092569225.db2.gz OXNKQKBEQAWZFY-RWMBFGLXSA-N 2 1 318.408 3.310 20 0 DGADMP C[C@@H](C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888265 1092569238 /nfs/dbraw/zinc/56/92/38/1092569238.db2.gz OXNKQKBEQAWZFY-RWMBFGLXSA-N 2 1 318.408 3.310 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169154977 1092569448 /nfs/dbraw/zinc/56/94/48/1092569448.db2.gz VIACZHMFYWIGDJ-WNRNVDISSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169154977 1092569459 /nfs/dbraw/zinc/56/94/59/1092569459.db2.gz VIACZHMFYWIGDJ-WNRNVDISSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169154977 1092569471 /nfs/dbraw/zinc/56/94/71/1092569471.db2.gz VIACZHMFYWIGDJ-WNRNVDISSA-N 2 1 300.446 3.110 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(Cc4ccccc4O3)CC1)C2 ZINC001169155378 1092569554 /nfs/dbraw/zinc/56/95/54/1092569554.db2.gz OBROGOATIOLHCY-BCDXTJNWSA-N 2 1 312.457 3.081 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169155473 1092570425 /nfs/dbraw/zinc/57/04/25/1092570425.db2.gz PHFDKUWHQKXHDK-ZJPYXAASSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169155473 1092570434 /nfs/dbraw/zinc/57/04/34/1092570434.db2.gz PHFDKUWHQKXHDK-ZJPYXAASSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169155473 1092570443 /nfs/dbraw/zinc/57/04/43/1092570443.db2.gz PHFDKUWHQKXHDK-ZJPYXAASSA-N 2 1 300.446 3.110 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC4(COC4)C3)C2)cc1 ZINC001208930549 1092591965 /nfs/dbraw/zinc/59/19/65/1092591965.db2.gz BVCPZAAYVUYFFN-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC4(COC4)C3)C2)cc1 ZINC001208930549 1092591970 /nfs/dbraw/zinc/59/19/70/1092591970.db2.gz BVCPZAAYVUYFFN-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC4(COC4)C3)C2)cc1 ZINC001208930549 1092591977 /nfs/dbraw/zinc/59/19/77/1092591977.db2.gz BVCPZAAYVUYFFN-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP C[NH+]1CCC(COc2ccc(NC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC001208931056 1092593665 /nfs/dbraw/zinc/59/36/65/1092593665.db2.gz XATLOFPDKCMGNS-UHFFFAOYSA-N 2 1 315.461 3.039 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccn2ccnc12 ZINC001142961254 1092595040 /nfs/dbraw/zinc/59/50/40/1092595040.db2.gz HUYCHAPYPGYKGV-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccn2ccnc12 ZINC001142961254 1092595048 /nfs/dbraw/zinc/59/50/48/1092595048.db2.gz HUYCHAPYPGYKGV-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932051 1092595016 /nfs/dbraw/zinc/59/50/16/1092595016.db2.gz NRFAGHQXJLXNDU-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932051 1092595019 /nfs/dbraw/zinc/59/50/19/1092595019.db2.gz NRFAGHQXJLXNDU-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932051 1092595035 /nfs/dbraw/zinc/59/50/35/1092595035.db2.gz NRFAGHQXJLXNDU-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccn2ccnc12 ZINC001142961254 1092595058 /nfs/dbraw/zinc/59/50/58/1092595058.db2.gz HUYCHAPYPGYKGV-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@H]4OCC[C@@H]4C3)C2)cc1 ZINC001208939891 1092600217 /nfs/dbraw/zinc/60/02/17/1092600217.db2.gz KXZIUSNHDSUOCN-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)C2)cc1 ZINC001208939891 1092600221 /nfs/dbraw/zinc/60/02/21/1092600221.db2.gz KXZIUSNHDSUOCN-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)C2)cc1 ZINC001208939891 1092600226 /nfs/dbraw/zinc/60/02/26/1092600226.db2.gz KXZIUSNHDSUOCN-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC[C@@]4(CCO4)C3)C2)cc1 ZINC001208940264 1092601724 /nfs/dbraw/zinc/60/17/24/1092601724.db2.gz QPNORQBOSVCWNZ-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC[C@@]4(CCO4)C3)C2)cc1 ZINC001208940264 1092601729 /nfs/dbraw/zinc/60/17/29/1092601729.db2.gz QPNORQBOSVCWNZ-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC[C@@]4(CCO4)C3)C2)cc1 ZINC001208940264 1092601734 /nfs/dbraw/zinc/60/17/34/1092601734.db2.gz QPNORQBOSVCWNZ-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@]4(C3)CCCCO4)C2)cc1 ZINC001208940350 1092602994 /nfs/dbraw/zinc/60/29/94/1092602994.db2.gz BTPTUTGUQBSFEI-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@]4(C3)CCCCO4)C2)cc1 ZINC001208940350 1092602999 /nfs/dbraw/zinc/60/29/99/1092602999.db2.gz BTPTUTGUQBSFEI-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@]4(C3)CCCCO4)C2)cc1 ZINC001208940350 1092603001 /nfs/dbraw/zinc/60/30/01/1092603001.db2.gz BTPTUTGUQBSFEI-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941070 1092604221 /nfs/dbraw/zinc/60/42/21/1092604221.db2.gz WVGGDGPCILVEIN-XWSJACJDSA-N 2 1 302.437 3.331 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941070 1092604227 /nfs/dbraw/zinc/60/42/27/1092604227.db2.gz WVGGDGPCILVEIN-XWSJACJDSA-N 2 1 302.437 3.331 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941070 1092604232 /nfs/dbraw/zinc/60/42/32/1092604232.db2.gz WVGGDGPCILVEIN-XWSJACJDSA-N 2 1 302.437 3.331 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC001208947777 1092606046 /nfs/dbraw/zinc/60/60/46/1092606046.db2.gz CWWDHAUUGQGRBI-PZJWPPBQSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC001208947777 1092606049 /nfs/dbraw/zinc/60/60/49/1092606049.db2.gz CWWDHAUUGQGRBI-PZJWPPBQSA-N 2 1 321.468 3.393 20 0 DGADMP C[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948449 1092606111 /nfs/dbraw/zinc/60/61/11/1092606111.db2.gz QIZPADWVVSFKDD-RDJZCZTQSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948449 1092606113 /nfs/dbraw/zinc/60/61/13/1092606113.db2.gz QIZPADWVVSFKDD-RDJZCZTQSA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)(F)[C@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949208 1092608105 /nfs/dbraw/zinc/60/81/05/1092608105.db2.gz IZYRKAIYURSIDY-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949208 1092608108 /nfs/dbraw/zinc/60/81/08/1092608108.db2.gz IZYRKAIYURSIDY-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949208 1092608111 /nfs/dbraw/zinc/60/81/11/1092608111.db2.gz IZYRKAIYURSIDY-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949208 1092608115 /nfs/dbraw/zinc/60/81/15/1092608115.db2.gz IZYRKAIYURSIDY-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(OC)(c3ccccc3)CC2)CC1 ZINC001169265699 1092609304 /nfs/dbraw/zinc/60/93/04/1092609304.db2.gz PPXAPXPUDWSMOU-UHFFFAOYSA-N 2 1 302.462 3.108 20 0 DGADMP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950890 1092609719 /nfs/dbraw/zinc/60/97/19/1092609719.db2.gz XKOTYBDKDOZGLP-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950890 1092609721 /nfs/dbraw/zinc/60/97/21/1092609721.db2.gz XKOTYBDKDOZGLP-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950890 1092609726 /nfs/dbraw/zinc/60/97/26/1092609726.db2.gz XKOTYBDKDOZGLP-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950890 1092609730 /nfs/dbraw/zinc/60/97/30/1092609730.db2.gz XKOTYBDKDOZGLP-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208954006 1092610008 /nfs/dbraw/zinc/61/00/08/1092610008.db2.gz RZPQSSZEALIJQO-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208954006 1092610010 /nfs/dbraw/zinc/61/00/10/1092610010.db2.gz RZPQSSZEALIJQO-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954006 1092610013 /nfs/dbraw/zinc/61/00/13/1092610013.db2.gz RZPQSSZEALIJQO-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1ccc(-c2n[nH]cc2CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276609391 1092628174 /nfs/dbraw/zinc/62/81/74/1092628174.db2.gz CJVUHSZBDXFWSC-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001276609391 1092628190 /nfs/dbraw/zinc/62/81/90/1092628190.db2.gz CJVUHSZBDXFWSC-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001276609391 1092628194 /nfs/dbraw/zinc/62/81/94/1092628194.db2.gz CJVUHSZBDXFWSC-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3cccnc3[nH]2)CC1 ZINC001143213859 1092635440 /nfs/dbraw/zinc/63/54/40/1092635440.db2.gz CCRKMXNNMSWCJF-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)CC2CCC3(CC2)OCCO3)CC1 ZINC001209104951 1092654860 /nfs/dbraw/zinc/65/48/60/1092654860.db2.gz HPILOWKFFAKRLN-UHFFFAOYSA-N 2 1 324.509 3.116 20 0 DGADMP COCCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209218538 1092698792 /nfs/dbraw/zinc/69/87/92/1092698792.db2.gz IIJIBRWIHBMMSK-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1cc(F)c(F)cc1F ZINC001209255666 1092714552 /nfs/dbraw/zinc/71/45/52/1092714552.db2.gz SGKHRHYMLRIJDL-UHFFFAOYSA-N 2 1 300.368 3.064 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cc(F)c(F)cc1F ZINC001209255666 1092714556 /nfs/dbraw/zinc/71/45/56/1092714556.db2.gz SGKHRHYMLRIJDL-UHFFFAOYSA-N 2 1 300.368 3.064 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001206631831 1092727356 /nfs/dbraw/zinc/72/73/56/1092727356.db2.gz ANAXADNGKZHZFO-ZDUSSCGKSA-N 2 1 316.367 3.454 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001206631951 1092727919 /nfs/dbraw/zinc/72/79/19/1092727919.db2.gz DOGRDCLKAPIBEI-AWEZNQCLSA-N 2 1 318.852 3.087 20 0 DGADMP COC(C)(C)CC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209407631 1092760471 /nfs/dbraw/zinc/76/04/71/1092760471.db2.gz NHMGKIBKSXJIOE-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632887 1092764612 /nfs/dbraw/zinc/76/46/12/1092764612.db2.gz QEMIWDIIKRUTAU-MRXNPFEDSA-N 2 1 310.445 3.013 20 0 DGADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209412494 1092764661 /nfs/dbraw/zinc/76/46/61/1092764661.db2.gz GOCIRPSJQXYZSI-HOTGVXAUSA-N 2 1 320.502 3.071 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC001206633711 1092771060 /nfs/dbraw/zinc/77/10/60/1092771060.db2.gz ZQGPCNCVXVFYBZ-CYBMUJFWSA-N 2 1 324.852 3.078 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC001206633711 1092771068 /nfs/dbraw/zinc/77/10/68/1092771068.db2.gz ZQGPCNCVXVFYBZ-CYBMUJFWSA-N 2 1 324.852 3.078 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC34CC5CC(CC(C5)C3)C4)C[C@@H]2C1 ZINC001209448234 1092777959 /nfs/dbraw/zinc/77/79/59/1092777959.db2.gz YCNZSBSJFSCWEP-JHPBPYBXSA-N 2 1 302.506 3.476 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC34CC5CC(CC(C5)C3)C4)C[C@@H]2C1 ZINC001209448234 1092777966 /nfs/dbraw/zinc/77/79/66/1092777966.db2.gz YCNZSBSJFSCWEP-JHPBPYBXSA-N 2 1 302.506 3.476 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC34CC5CC(CC(C5)C3)C4)C[C@@H]2C1 ZINC001209448234 1092777973 /nfs/dbraw/zinc/77/79/73/1092777973.db2.gz YCNZSBSJFSCWEP-JHPBPYBXSA-N 2 1 302.506 3.476 20 0 DGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)C1(C)C ZINC001276653101 1092815122 /nfs/dbraw/zinc/81/51/22/1092815122.db2.gz FWLXCKJFQDLRET-QYZOEREBSA-N 2 1 319.537 3.079 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cncs3)CC2)c2ccccc2[nH+]1 ZINC001209546103 1092818930 /nfs/dbraw/zinc/81/89/30/1092818930.db2.gz LLQIMWGGVHWEJQ-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP COc1c(Cl)ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001209703419 1092887891 /nfs/dbraw/zinc/88/78/91/1092887891.db2.gz VRJCNFGNKGNLQC-UHFFFAOYSA-N 2 1 312.816 3.015 20 0 DGADMP CC1(C)C[C@H](C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)CCO1 ZINC001276670395 1092895748 /nfs/dbraw/zinc/89/57/48/1092895748.db2.gz BZYSXNBYRQGTSE-MRXNPFEDSA-N 2 1 306.494 3.142 20 0 DGADMP CC1(C)C[C@H](C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)CCO1 ZINC001276670395 1092895751 /nfs/dbraw/zinc/89/57/51/1092895751.db2.gz BZYSXNBYRQGTSE-MRXNPFEDSA-N 2 1 306.494 3.142 20 0 DGADMP Cc1cccc(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000091061563 1093321135 /nfs/dbraw/zinc/32/11/35/1093321135.db2.gz AMVQEXMNMUFELR-UHFFFAOYSA-N 2 1 304.478 3.282 20 0 DGADMP COc1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001276720234 1093948438 /nfs/dbraw/zinc/94/84/38/1093948438.db2.gz FGJYCMXUGOYZHO-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CC[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276720234 1093948442 /nfs/dbraw/zinc/94/84/42/1093948442.db2.gz FGJYCMXUGOYZHO-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CC[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276720234 1093948448 /nfs/dbraw/zinc/94/84/48/1093948448.db2.gz FGJYCMXUGOYZHO-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001276741331 1094205438 /nfs/dbraw/zinc/20/54/38/1094205438.db2.gz UFTIDDRGIVATRH-FQEVSTJZSA-N 2 1 316.489 3.436 20 0 DGADMP CCc1onc(C)c1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812338 1094291793 /nfs/dbraw/zinc/29/17/93/1094291793.db2.gz QAFSPFGVYCRBHV-ZFWWWQNUSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812338 1094291799 /nfs/dbraw/zinc/29/17/99/1094291799.db2.gz QAFSPFGVYCRBHV-ZFWWWQNUSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812338 1094291809 /nfs/dbraw/zinc/29/18/09/1094291809.db2.gz QAFSPFGVYCRBHV-ZFWWWQNUSA-N 2 1 305.466 3.288 20 0 DGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170784816 1094368899 /nfs/dbraw/zinc/36/88/99/1094368899.db2.gz LJOPKHIMAFSYTH-YEODSOHDSA-N 2 1 323.525 3.093 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@H]2C1 ZINC001120072320 1094370389 /nfs/dbraw/zinc/37/03/89/1094370389.db2.gz UAJDMNUVRVYILN-GUDVDZBRSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2C1 ZINC001120072632 1094371820 /nfs/dbraw/zinc/37/18/20/1094371820.db2.gz YKDICIIEDBCGJL-YQVWRLOYSA-N 2 1 324.472 3.239 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@@H]2CCCOCC2)CC1 ZINC001170799460 1094424625 /nfs/dbraw/zinc/42/46/25/1094424625.db2.gz JFOQWALQMJSGCJ-KZNAEPCWSA-N 2 1 320.452 3.467 20 0 DGADMP c1ccc(C[NH+]2CC(OCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217785554 1094495068 /nfs/dbraw/zinc/49/50/68/1094495068.db2.gz MNJJIPSICNOSSO-UHFFFAOYSA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCCC3CC[NH2+]CC3)C2)cc1 ZINC001217822344 1094500510 /nfs/dbraw/zinc/50/05/10/1094500510.db2.gz DPDYCEPJBHHNCZ-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823019 1094500573 /nfs/dbraw/zinc/50/05/73/1094500573.db2.gz KBMQUSCSZYZOHI-QUCCMNQESA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)(C[NH3+])CO[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001217850006 1094504935 /nfs/dbraw/zinc/50/49/35/1094504935.db2.gz QHYLDALFYIWPAL-QGZVFWFLSA-N 2 1 304.478 3.289 20 0 DGADMP Cc1ccc(N2CCC[C@H](OCCCC3CC[NH2+]CC3)C2)[nH+]c1 ZINC001217911205 1094515155 /nfs/dbraw/zinc/51/51/55/1094515155.db2.gz NHFRIURIFSMSOZ-SFHVURJKSA-N 2 1 317.477 3.155 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1C[NH3+] ZINC001217968211 1094534132 /nfs/dbraw/zinc/53/41/32/1094534132.db2.gz XNGITQGVECXJDL-OXQOHEQNSA-N 2 1 310.441 3.435 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC001170833198 1094604080 /nfs/dbraw/zinc/60/40/80/1094604080.db2.gz GDXNWVWWDDCHMX-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC001170833198 1094604093 /nfs/dbraw/zinc/60/40/93/1094604093.db2.gz GDXNWVWWDDCHMX-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC001170833198 1094604102 /nfs/dbraw/zinc/60/41/02/1094604102.db2.gz GDXNWVWWDDCHMX-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC ZINC001135690540 1094636094 /nfs/dbraw/zinc/63/60/94/1094636094.db2.gz IPEBDZXKZMROIJ-IAGOWNOFSA-N 2 1 313.530 3.172 20 0 DGADMP Cc1cccc2c(C[NH+]3CCC4(CCC[N@H+](C)C4)CC3)[nH]nc21 ZINC001276776911 1094693572 /nfs/dbraw/zinc/69/35/72/1094693572.db2.gz GXJFPMWCGDAHRG-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1C[NH3+] ZINC001218337328 1094725917 /nfs/dbraw/zinc/72/59/17/1094725917.db2.gz XDTPIJKDPYBFSX-APWZRJJASA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218410982 1094760072 /nfs/dbraw/zinc/76/00/72/1094760072.db2.gz SJGMDGCHOIGUNF-QAPCUYQASA-N 2 1 311.429 3.145 20 0 DGADMP [NH3+]Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410525 1094760709 /nfs/dbraw/zinc/76/07/09/1094760709.db2.gz DBSCTXQVLVAOKS-GOSISDBHSA-N 2 1 316.832 3.452 20 0 DGADMP Cc1ccc2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)ccc2c1 ZINC001276784807 1094763561 /nfs/dbraw/zinc/76/35/61/1094763561.db2.gz OBFIICIRJUKDPJ-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)ccc2c1 ZINC001276784807 1094763572 /nfs/dbraw/zinc/76/35/72/1094763572.db2.gz OBFIICIRJUKDPJ-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP Cc1ccc2nc(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)ccc2c1 ZINC001276784807 1094763579 /nfs/dbraw/zinc/76/35/79/1094763579.db2.gz OBFIICIRJUKDPJ-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878896 1094796870 /nfs/dbraw/zinc/79/68/70/1094796870.db2.gz SOLIYDKAWXSTMO-HOTGVXAUSA-N 2 1 322.497 3.071 20 0 DGADMP Oc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309827535 1094829330 /nfs/dbraw/zinc/82/93/30/1094829330.db2.gz RFVMYZUEPWUTQZ-IBGZPJMESA-N 2 1 310.441 3.394 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309920430 1094838523 /nfs/dbraw/zinc/83/85/23/1094838523.db2.gz VSGPTYZDSDLDRI-IBGZPJMESA-N 2 1 309.457 3.392 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])CC(C)C)c2C1 ZINC001121996397 1094863382 /nfs/dbraw/zinc/86/33/82/1094863382.db2.gz ICRKEWKMEYDYGE-HNNXBMFYSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])CC(C)C)c2C1 ZINC001121996397 1094863399 /nfs/dbraw/zinc/86/33/99/1094863399.db2.gz ICRKEWKMEYDYGE-HNNXBMFYSA-N 2 1 303.450 3.114 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246095230 1095012041 /nfs/dbraw/zinc/01/20/41/1095012041.db2.gz DRJGHVQRZMVTRR-MEBBXXQBSA-N 2 1 302.796 3.281 20 0 DGADMP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171004349 1095115927 /nfs/dbraw/zinc/11/59/27/1095115927.db2.gz CGSHAEYWMFZUFR-QGZVFWFLSA-N 2 1 302.437 3.242 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171004349 1095115936 /nfs/dbraw/zinc/11/59/36/1095115936.db2.gz CGSHAEYWMFZUFR-QGZVFWFLSA-N 2 1 302.437 3.242 20 0 DGADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246269922 1095151321 /nfs/dbraw/zinc/15/13/21/1095151321.db2.gz NTCHCSBJTUURSW-GFCCVEGCSA-N 2 1 304.356 3.105 20 0 DGADMP CCc1noc(C2CCC([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)CC2)n1 ZINC001337980088 1095155580 /nfs/dbraw/zinc/15/55/80/1095155580.db2.gz DMOJZGPQFMHEHQ-CKUJCDMFSA-N 2 1 320.481 3.121 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246348371 1095241534 /nfs/dbraw/zinc/24/15/34/1095241534.db2.gz VYIBVAWLQHBPEQ-RISCZKNCSA-N 2 1 313.283 3.343 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136988736 1095270270 /nfs/dbraw/zinc/27/02/70/1095270270.db2.gz QMNUOPKSFOEXTB-UHFFFAOYSA-N 2 1 324.403 3.333 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246466076 1095307596 /nfs/dbraw/zinc/30/75/96/1095307596.db2.gz VEONEMBZTKTQCL-GFCCVEGCSA-N 2 1 304.356 3.104 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001143675031 1095342267 /nfs/dbraw/zinc/34/22/67/1095342267.db2.gz VWRWARPCKWRNFJ-HIFRSBDPSA-N 2 1 312.379 3.397 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000420915251 1095408748 /nfs/dbraw/zinc/40/87/48/1095408748.db2.gz LCYAJXSCRJULJY-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000420915251 1095408762 /nfs/dbraw/zinc/40/87/62/1095408762.db2.gz LCYAJXSCRJULJY-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000420915251 1095408769 /nfs/dbraw/zinc/40/87/69/1095408769.db2.gz LCYAJXSCRJULJY-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC001116033265 1095442758 /nfs/dbraw/zinc/44/27/58/1095442758.db2.gz XQUMRXYCFSHQRX-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)nc1 ZINC001222149270 1095459403 /nfs/dbraw/zinc/45/94/03/1095459403.db2.gz WYSHITKDZBUUMB-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162032 1095469573 /nfs/dbraw/zinc/46/95/73/1095469573.db2.gz WMIMEBFRMXNPHN-GOSISDBHSA-N 2 1 304.482 3.210 20 0 DGADMP CC(C)n1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162032 1095469576 /nfs/dbraw/zinc/46/95/76/1095469576.db2.gz WMIMEBFRMXNPHN-GOSISDBHSA-N 2 1 304.482 3.210 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1OCO2 ZINC001222162146 1095469686 /nfs/dbraw/zinc/46/96/86/1095469686.db2.gz ZQWKLUKVVBCKSD-IBGZPJMESA-N 2 1 316.445 3.161 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1OCO2 ZINC001222162146 1095469689 /nfs/dbraw/zinc/46/96/89/1095469689.db2.gz ZQWKLUKVVBCKSD-IBGZPJMESA-N 2 1 316.445 3.161 20 0 DGADMP c1cc(CCC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222162107 1095469826 /nfs/dbraw/zinc/46/98/26/1095469826.db2.gz YGQDPEQVCUJETQ-LJQANCHMSA-N 2 1 301.478 3.260 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1OCO2 ZINC001222162147 1095469846 /nfs/dbraw/zinc/46/98/46/1095469846.db2.gz ZQWKLUKVVBCKSD-LJQANCHMSA-N 2 1 316.445 3.161 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1OCO2 ZINC001222162147 1095469851 /nfs/dbraw/zinc/46/98/51/1095469851.db2.gz ZQWKLUKVVBCKSD-LJQANCHMSA-N 2 1 316.445 3.161 20 0 DGADMP c1[nH+]c(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c2ccccn12 ZINC001222166677 1095470924 /nfs/dbraw/zinc/47/09/24/1095470924.db2.gz BOQDRFLIVCULKT-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP CCc1cccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222173879 1095478377 /nfs/dbraw/zinc/47/83/77/1095478377.db2.gz YTTQXASOTJUEOF-LJQANCHMSA-N 2 1 301.478 3.390 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222173879 1095478388 /nfs/dbraw/zinc/47/83/88/1095478388.db2.gz YTTQXASOTJUEOF-LJQANCHMSA-N 2 1 301.478 3.390 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181463 1095481105 /nfs/dbraw/zinc/48/11/05/1095481105.db2.gz JAMIBJCWEHRKAI-UHFFFAOYSA-N 2 1 310.441 3.103 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171130615 1095489581 /nfs/dbraw/zinc/48/95/81/1095489581.db2.gz SCWIYUFGZJYIIX-GOSISDBHSA-N 2 1 306.881 3.471 20 0 DGADMP Brc1ccc(CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222230896 1095501093 /nfs/dbraw/zinc/50/10/93/1095501093.db2.gz GOTJAKYHZXJHIB-INIZCTEOSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1ccc(CC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222230896 1095501104 /nfs/dbraw/zinc/50/11/04/1095501104.db2.gz GOTJAKYHZXJHIB-INIZCTEOSA-N 2 1 323.278 3.210 20 0 DGADMP c1cc(-c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)ccn1 ZINC001222243338 1095508114 /nfs/dbraw/zinc/50/81/14/1095508114.db2.gz KQVZUQGJIMRRKQ-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP c1cc(-c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)ccn1 ZINC001222243338 1095508123 /nfs/dbraw/zinc/50/81/23/1095508123.db2.gz KQVZUQGJIMRRKQ-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC001116346725 1095521129 /nfs/dbraw/zinc/52/11/29/1095521129.db2.gz YNAIHOIGOYQNIU-KRWDZBQOSA-N 2 1 311.429 3.345 20 0 DGADMP CCCOc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265779 1095521182 /nfs/dbraw/zinc/52/11/82/1095521182.db2.gz YNMLPXSWLPMTNO-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCOc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265779 1095521191 /nfs/dbraw/zinc/52/11/91/1095521191.db2.gz YNMLPXSWLPMTNO-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2)n[nH]1 ZINC001222277656 1095525201 /nfs/dbraw/zinc/52/52/01/1095525201.db2.gz QEUAVBYXJUXQTF-IBGZPJMESA-N 2 1 310.445 3.042 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c(C)c1C ZINC001222292937 1095534298 /nfs/dbraw/zinc/53/42/98/1095534298.db2.gz NNXMPDFBMJYFGX-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(CC)c(O)c(CC)c3)C[C@@H]2C1 ZINC001144150124 1095536491 /nfs/dbraw/zinc/53/64/91/1095536491.db2.gz UUANXPUTCXHNEZ-OALUTQOASA-N 2 1 316.489 3.291 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222308552 1095542184 /nfs/dbraw/zinc/54/21/84/1095542184.db2.gz JPXXICIYUVKOLM-SFHVURJKSA-N 2 1 324.415 3.439 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(C)c1 ZINC001222314099 1095545566 /nfs/dbraw/zinc/54/55/66/1095545566.db2.gz CKCYRRPWPNLXHQ-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP COc1c(Cl)cccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316854 1095548339 /nfs/dbraw/zinc/54/83/39/1095548339.db2.gz ZXYXLVFLIMIVIA-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316854 1095548347 /nfs/dbraw/zinc/54/83/47/1095548347.db2.gz ZXYXLVFLIMIVIA-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316833 1095548536 /nfs/dbraw/zinc/54/85/36/1095548536.db2.gz ZFOXVTPKZBFHJN-QGZVFWFLSA-N 2 1 310.388 3.396 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316833 1095548545 /nfs/dbraw/zinc/54/85/45/1095548545.db2.gz ZFOXVTPKZBFHJN-QGZVFWFLSA-N 2 1 310.388 3.396 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316832 1095548620 /nfs/dbraw/zinc/54/86/20/1095548620.db2.gz ZFOXVTPKZBFHJN-KRWDZBQOSA-N 2 1 310.388 3.396 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316832 1095548627 /nfs/dbraw/zinc/54/86/27/1095548627.db2.gz ZFOXVTPKZBFHJN-KRWDZBQOSA-N 2 1 310.388 3.396 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(OC)cc1C ZINC001222320782 1095551226 /nfs/dbraw/zinc/55/12/26/1095551226.db2.gz NIEZTECLNFDSTA-IBGZPJMESA-N 2 1 318.461 3.120 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]n1 ZINC001116444799 1095555885 /nfs/dbraw/zinc/55/58/85/1095555885.db2.gz HHZUPYRKDQUZPD-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC001116444799 1095555903 /nfs/dbraw/zinc/55/59/03/1095555903.db2.gz HHZUPYRKDQUZPD-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC001116444799 1095555912 /nfs/dbraw/zinc/55/59/12/1095555912.db2.gz HHZUPYRKDQUZPD-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCCC2)[C@H](C)C1 ZINC001116445546 1095557562 /nfs/dbraw/zinc/55/75/62/1095557562.db2.gz UHSDPBQKSSEWAI-MJGOQNOKSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCCC2)[C@H](C)C1 ZINC001116445546 1095557575 /nfs/dbraw/zinc/55/75/75/1095557575.db2.gz UHSDPBQKSSEWAI-MJGOQNOKSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCCC2)[C@H](C)C1 ZINC001116445546 1095557585 /nfs/dbraw/zinc/55/75/85/1095557585.db2.gz UHSDPBQKSSEWAI-MJGOQNOKSA-N 2 1 315.505 3.449 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222401163 1095595710 /nfs/dbraw/zinc/59/57/10/1095595710.db2.gz SLAUISUTBXSDRD-UHFFFAOYSA-N 2 1 316.489 3.186 20 0 DGADMP c1cc(C2CCC2)ccc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407909 1095600131 /nfs/dbraw/zinc/60/01/31/1095600131.db2.gz RJHFODSUOMOUHN-UHFFFAOYSA-N 2 1 314.473 3.156 20 0 DGADMP CC(C)(C)c1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407784 1095600597 /nfs/dbraw/zinc/60/05/97/1095600597.db2.gz NFOZLWQZAQNKML-UHFFFAOYSA-N 2 1 316.489 3.186 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420900 1095605960 /nfs/dbraw/zinc/60/59/60/1095605960.db2.gz HZJKGEZNMMFKQE-LJQANCHMSA-N 2 1 324.509 3.498 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420900 1095605963 /nfs/dbraw/zinc/60/59/63/1095605963.db2.gz HZJKGEZNMMFKQE-LJQANCHMSA-N 2 1 324.509 3.498 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc2)C1 ZINC001222505445 1095644890 /nfs/dbraw/zinc/64/48/90/1095644890.db2.gz PKSCPLVQIAJVJH-IBGZPJMESA-N 2 1 324.472 3.065 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222596043 1095682611 /nfs/dbraw/zinc/68/26/11/1095682611.db2.gz OZLFTTHYSNKQKW-HXUWFJFHSA-N 2 1 306.453 3.492 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595472 1095683787 /nfs/dbraw/zinc/68/37/87/1095683787.db2.gz AQUDKTABDPZWII-HXUWFJFHSA-N 2 1 306.453 3.492 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601922 1095687046 /nfs/dbraw/zinc/68/70/46/1095687046.db2.gz CYPOHJAZHVGULJ-LJQANCHMSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601922 1095687054 /nfs/dbraw/zinc/68/70/54/1095687054.db2.gz CYPOHJAZHVGULJ-LJQANCHMSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1F ZINC001222601942 1095687725 /nfs/dbraw/zinc/68/77/25/1095687725.db2.gz DSSXOCKETBMBCK-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1F ZINC001222601942 1095687729 /nfs/dbraw/zinc/68/77/29/1095687729.db2.gz DSSXOCKETBMBCK-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Fc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623538 1095698231 /nfs/dbraw/zinc/69/82/31/1095698231.db2.gz LWLVNQQPDKNSNZ-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Fc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623538 1095698239 /nfs/dbraw/zinc/69/82/39/1095698239.db2.gz LWLVNQQPDKNSNZ-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623861 1095698742 /nfs/dbraw/zinc/69/87/42/1095698742.db2.gz OMDJWYVBNANPKR-OKILXGFUSA-N 2 1 312.379 3.445 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623819 1095698897 /nfs/dbraw/zinc/69/88/97/1095698897.db2.gz NGDYICQBHFZAGR-OKILXGFUSA-N 2 1 308.853 3.170 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629230 1095701583 /nfs/dbraw/zinc/70/15/83/1095701583.db2.gz FJPAREAVAMTFDU-CALCHBBNSA-N 2 1 302.462 3.214 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137768978 1095736330 /nfs/dbraw/zinc/73/63/30/1095736330.db2.gz JUFCYBULEZXWDM-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137768978 1095736341 /nfs/dbraw/zinc/73/63/41/1095736341.db2.gz JUFCYBULEZXWDM-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CCCCCC[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144622249 1095739387 /nfs/dbraw/zinc/73/93/87/1095739387.db2.gz HLSLUOBASXEPON-UHFFFAOYSA-N 2 1 300.450 3.032 20 0 DGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)cc21 ZINC001276845333 1095772231 /nfs/dbraw/zinc/77/22/31/1095772231.db2.gz AWWRYCHYDIBERF-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP CC(C)c1nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cs1 ZINC001117594980 1095785829 /nfs/dbraw/zinc/78/58/29/1095785829.db2.gz KYOZPXFVFSQPAM-HNNXBMFYSA-N 2 1 307.507 3.430 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)cnc1Cl)CC2 ZINC001276872355 1095906389 /nfs/dbraw/zinc/90/63/89/1095906389.db2.gz HWEPRXGRFKMWHE-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC001138156583 1095908834 /nfs/dbraw/zinc/90/88/34/1095908834.db2.gz UEHJUPKEFWVSBC-UHFFFAOYSA-N 2 1 316.474 3.056 20 0 DGADMP Cc1cc(CO[C@@H]2CC[N@H+]([C@H](C)c3ccccn3)C2)cc(C)n1 ZINC001223423329 1095964509 /nfs/dbraw/zinc/96/45/09/1095964509.db2.gz BSBZBSFDVGGCGP-SJLPKXTDSA-N 2 1 311.429 3.446 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)sc2C1 ZINC001118243472 1095965474 /nfs/dbraw/zinc/96/54/74/1095965474.db2.gz RZECRYTWBOCONF-CQSZACIVSA-N 2 1 319.518 3.234 20 0 DGADMP c1ccc2[nH]c([C@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC001118284091 1095976343 /nfs/dbraw/zinc/97/63/43/1095976343.db2.gz IYCOOBDUJRCBSU-INIZCTEOSA-N 2 1 312.461 3.132 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001246818873 1095996480 /nfs/dbraw/zinc/99/64/80/1095996480.db2.gz BYXOLIXWJAEWLB-JSGCOSHPSA-N 2 1 311.267 3.236 20 0 DGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001118495021 1096022807 /nfs/dbraw/zinc/02/28/07/1096022807.db2.gz ORMUXCCUNXOHIS-JKSUJKDBSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495021 1096022817 /nfs/dbraw/zinc/02/28/17/1096022817.db2.gz ORMUXCCUNXOHIS-JKSUJKDBSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495021 1096022829 /nfs/dbraw/zinc/02/28/29/1096022829.db2.gz ORMUXCCUNXOHIS-JKSUJKDBSA-N 2 1 312.461 3.050 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001146593138 1096068467 /nfs/dbraw/zinc/06/84/67/1096068467.db2.gz OEZLCJHPPQHIBB-IAGOWNOFSA-N 2 1 323.525 3.090 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118897034 1096100761 /nfs/dbraw/zinc/10/07/61/1096100761.db2.gz JOCSCHVETNVDKK-UHFFFAOYSA-N 2 1 301.478 3.479 20 0 DGADMP C[NH+](C)CC[C@@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccccc1 ZINC001224137532 1096144643 /nfs/dbraw/zinc/14/46/43/1096144643.db2.gz XAECIPSJVXZSCR-IYWMVGAKSA-N 2 1 316.489 3.426 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC(C)([NH3+])CC1)CC2 ZINC001171297332 1096177231 /nfs/dbraw/zinc/17/72/31/1096177231.db2.gz FFCPRVKJRLFKDO-LBPRGKRZSA-N 2 1 308.853 3.019 20 0 DGADMP CCCc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001119449948 1096204653 /nfs/dbraw/zinc/20/46/53/1096204653.db2.gz BPOSLSDAHYRYSI-UHFFFAOYSA-N 2 1 316.489 3.372 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC1CC[NH+](C)CC1 ZINC001224451873 1096216906 /nfs/dbraw/zinc/21/69/06/1096216906.db2.gz BRCYOJZXEBVULC-YLJYHZDGSA-N 2 1 316.489 3.255 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC001147588437 1096244427 /nfs/dbraw/zinc/24/44/27/1096244427.db2.gz MWPQWUDOZJJUQB-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001147588437 1096244435 /nfs/dbraw/zinc/24/44/35/1096244435.db2.gz MWPQWUDOZJJUQB-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001147588437 1096244442 /nfs/dbraw/zinc/24/44/42/1096244442.db2.gz MWPQWUDOZJJUQB-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCCC[C@H]1COC1CC[NH+](Cc2ccccc2)CC1 ZINC001224702097 1096266261 /nfs/dbraw/zinc/26/62/61/1096266261.db2.gz LAXMDLOGTFXMMA-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001224703163 1096266777 /nfs/dbraw/zinc/26/67/77/1096266777.db2.gz QRFZTYRMCJCVPG-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224822697 1096292582 /nfs/dbraw/zinc/29/25/82/1096292582.db2.gz BSDWYJVIEKQNNP-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224822697 1096292585 /nfs/dbraw/zinc/29/25/85/1096292585.db2.gz BSDWYJVIEKQNNP-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224822697 1096292592 /nfs/dbraw/zinc/29/25/92/1096292592.db2.gz BSDWYJVIEKQNNP-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+]1CCC(OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224832647 1096296704 /nfs/dbraw/zinc/29/67/04/1096296704.db2.gz WWEQHGQWODYGBG-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171339262 1096456070 /nfs/dbraw/zinc/45/60/70/1096456070.db2.gz DKEBOOCWIIXKJK-CJNGLKHVSA-N 2 1 308.416 3.144 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345187 1096497189 /nfs/dbraw/zinc/49/71/89/1096497189.db2.gz HTPISXFHLVNMOA-WBAXXEDZSA-N 2 1 308.416 3.285 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)c(F)cc3OC)(C1)CCC2 ZINC001277127370 1096687666 /nfs/dbraw/zinc/68/76/66/1096687666.db2.gz DFZVSPZDICSMEF-ZWKOTPCHSA-N 2 1 306.425 3.297 20 0 DGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001226766648 1096771653 /nfs/dbraw/zinc/77/16/53/1096771653.db2.gz MTDXJMNQLPEDQY-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)N(C[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171460178 1096891188 /nfs/dbraw/zinc/89/11/88/1096891188.db2.gz WKPJIJYHGZHHKI-WOJBJXKFSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)N(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171460178 1096891192 /nfs/dbraw/zinc/89/11/92/1096891192.db2.gz WKPJIJYHGZHHKI-WOJBJXKFSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)N(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171460178 1096891196 /nfs/dbraw/zinc/89/11/96/1096891196.db2.gz WKPJIJYHGZHHKI-WOJBJXKFSA-N 2 1 315.505 3.066 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171497563 1096901786 /nfs/dbraw/zinc/90/17/86/1096901786.db2.gz VRQYWSNJVAKWGW-BBWFWOEESA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171497563 1096901791 /nfs/dbraw/zinc/90/17/91/1096901791.db2.gz VRQYWSNJVAKWGW-BBWFWOEESA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171497563 1096901795 /nfs/dbraw/zinc/90/17/95/1096901795.db2.gz VRQYWSNJVAKWGW-BBWFWOEESA-N 2 1 320.427 3.096 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171467304 1096902832 /nfs/dbraw/zinc/90/28/32/1096902832.db2.gz RGHQOWOYTPXAGH-VQHPVUNQSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171467304 1096902834 /nfs/dbraw/zinc/90/28/34/1096902834.db2.gz RGHQOWOYTPXAGH-VQHPVUNQSA-N 2 1 320.427 3.427 20 0 DGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586829 1096919728 /nfs/dbraw/zinc/91/97/28/1096919728.db2.gz UHOCVOGZVGGPHV-CVEARBPZSA-N 2 1 313.530 3.027 20 0 DGADMP Cc1cccc2c1CC[C@@H]([N@H+]1Cc3ccccc3C[C@H]1CN)C2 ZINC001171563005 1096924523 /nfs/dbraw/zinc/92/45/23/1096924523.db2.gz BSHQKNLXQUFJIY-UXHICEINSA-N 2 1 306.453 3.238 20 0 DGADMP Cc1cccc2c1CC[C@@H](N1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001171563005 1096924525 /nfs/dbraw/zinc/92/45/25/1096924525.db2.gz BSHQKNLXQUFJIY-UXHICEINSA-N 2 1 306.453 3.238 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628546 1096928856 /nfs/dbraw/zinc/92/88/56/1096928856.db2.gz AJTUUEZKLDGUNI-UHFFFAOYSA-N 2 1 314.477 3.384 20 0 DGADMP COc1cc([C@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ccn1 ZINC001171630320 1096930199 /nfs/dbraw/zinc/93/01/99/1096930199.db2.gz MKMCUBKMOHJIKC-ZDUSSCGKSA-N 2 1 305.466 3.392 20 0 DGADMP Cc1nc([C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)no1 ZINC001171632388 1096931608 /nfs/dbraw/zinc/93/16/08/1096931608.db2.gz ZEAMYZCVWLPSNF-CQSZACIVSA-N 2 1 320.481 3.209 20 0 DGADMP Cc1ccc(CC[C@H](C)[N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001171667096 1096943403 /nfs/dbraw/zinc/94/34/03/1096943403.db2.gz TZSUTSSBRBXALN-WDSOQIARSA-N 2 1 316.489 3.287 20 0 DGADMP COC(=O)CC[N@@H+](C1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637430 1096948359 /nfs/dbraw/zinc/94/83/59/1096948359.db2.gz NCKOBHJXLVDEMP-UHFFFAOYSA-N 2 1 324.509 3.446 20 0 DGADMP C[NH+]1C(C)(C)CC([NH+]2CC3(C2)C[C@H](F)CS3)CC1(C)C ZINC001171642237 1096948987 /nfs/dbraw/zinc/94/89/87/1096948987.db2.gz HGAFZVZANDACPF-LBPRGKRZSA-N 2 1 300.487 3.167 20 0 DGADMP CCOC(=O)[C@H]1CCCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171643851 1096950152 /nfs/dbraw/zinc/95/01/52/1096950152.db2.gz WXXYINJFCIZFKH-HNNXBMFYSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@@H](n2cnc3ccc(C[NH3+])cc32)C[N@H+]1Cc1ccccc1 ZINC001171729928 1096956454 /nfs/dbraw/zinc/95/64/54/1096956454.db2.gz VKQAUBZANRSNIW-CRAIPNDOSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](n2ncc3c2cccc3C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171728512 1096956709 /nfs/dbraw/zinc/95/67/09/1096956709.db2.gz OZXYYZAIAZZLNK-QAPCUYQASA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733010 1096958063 /nfs/dbraw/zinc/95/80/63/1096958063.db2.gz HEZJYWYNMXIWOK-QRQLOZEOSA-N 2 1 321.468 3.212 20 0 DGADMP CCN(CC[NH+](CC)CC)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171761262 1096964846 /nfs/dbraw/zinc/96/48/46/1096964846.db2.gz CPWKYTHIAKPTLL-ICSRJNTNSA-N 2 1 317.521 3.313 20 0 DGADMP CC[N@H+]1CCN([C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766469 1096967598 /nfs/dbraw/zinc/96/75/98/1096967598.db2.gz DTYQSDLVOXUHCW-PKOBYXMFSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766469 1096967602 /nfs/dbraw/zinc/96/76/02/1096967602.db2.gz DTYQSDLVOXUHCW-PKOBYXMFSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766469 1096967609 /nfs/dbraw/zinc/96/76/09/1096967609.db2.gz DTYQSDLVOXUHCW-PKOBYXMFSA-N 2 1 315.505 3.066 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001227669070 1096967585 /nfs/dbraw/zinc/96/75/85/1096967585.db2.gz LABZTTNFJBLIMT-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@@H+](C)C1CCN([C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC001171766569 1096967902 /nfs/dbraw/zinc/96/79/02/1096967902.db2.gz GHHSWNPITOAANH-PXNSSMCTSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171766569 1096967904 /nfs/dbraw/zinc/96/79/04/1096967904.db2.gz GHHSWNPITOAANH-PXNSSMCTSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171766569 1096967909 /nfs/dbraw/zinc/96/79/09/1096967909.db2.gz GHHSWNPITOAANH-PXNSSMCTSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](n2cc3ccc(C[NH3+])cc3n2)C[N@H+]1Cc1ccccc1 ZINC001171734600 1096971330 /nfs/dbraw/zinc/97/13/30/1096971330.db2.gz OUYNNKIXUOETCM-HNAYVOBHSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](Nc2ccc(C[NH3+])c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171739405 1096973058 /nfs/dbraw/zinc/97/30/58/1096973058.db2.gz CTVKROYHTYKHBG-RDTXWAMCSA-N 2 1 313.420 3.359 20 0 DGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001227727086 1096976884 /nfs/dbraw/zinc/97/68/84/1096976884.db2.gz BJEJYQGETXXQCE-QZTJIDSGSA-N 2 1 323.525 3.068 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001171785077 1096977099 /nfs/dbraw/zinc/97/70/99/1096977099.db2.gz JPNMVZCXCAKUNG-IRXDYDNUSA-N 2 1 302.437 3.147 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001171785077 1096977101 /nfs/dbraw/zinc/97/71/01/1096977101.db2.gz JPNMVZCXCAKUNG-IRXDYDNUSA-N 2 1 302.437 3.147 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001171785124 1096977318 /nfs/dbraw/zinc/97/73/18/1096977318.db2.gz KPPFOPWFLZWJNB-CVEARBPZSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001171785124 1096977324 /nfs/dbraw/zinc/97/73/24/1096977324.db2.gz KPPFOPWFLZWJNB-CVEARBPZSA-N 2 1 302.437 3.290 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171801231 1096982042 /nfs/dbraw/zinc/98/20/42/1096982042.db2.gz JXVFMVHLNIUKSO-QGZVFWFLSA-N 2 1 304.453 3.345 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958670 1097004157 /nfs/dbraw/zinc/00/41/57/1097004157.db2.gz FHOKLSBDSZKMDZ-GFCCVEGCSA-N 2 1 311.351 3.431 20 0 DGADMP CC1(C)C[C@@H](n2ccnc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171963102 1097006636 /nfs/dbraw/zinc/00/66/36/1097006636.db2.gz DSMLHPOBASHOEU-KRWDZBQOSA-N 2 1 312.461 3.000 20 0 DGADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966151 1097008593 /nfs/dbraw/zinc/00/85/93/1097008593.db2.gz SOULBMWOBFECBE-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CCC)CC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171935982 1097011798 /nfs/dbraw/zinc/01/17/98/1097011798.db2.gz POXUCNOSDXNMEZ-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CCOC(=O)C1(C)CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001171945874 1097014167 /nfs/dbraw/zinc/01/41/67/1097014167.db2.gz CIWGZSRBRRAXIJ-CSGOCMEYSA-N 2 1 324.509 3.479 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153241 1097019635 /nfs/dbraw/zinc/01/96/35/1097019635.db2.gz CITMWWLQWJTESE-HZPDHXFCSA-N 2 1 316.461 3.041 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153241 1097019642 /nfs/dbraw/zinc/01/96/42/1097019642.db2.gz CITMWWLQWJTESE-HZPDHXFCSA-N 2 1 316.461 3.041 20 0 DGADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970045 1097019724 /nfs/dbraw/zinc/01/97/24/1097019724.db2.gz XOGYWUQLQMUKTC-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970045 1097019727 /nfs/dbraw/zinc/01/97/27/1097019727.db2.gz XOGYWUQLQMUKTC-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970045 1097019734 /nfs/dbraw/zinc/01/97/34/1097019734.db2.gz XOGYWUQLQMUKTC-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970045 1097019738 /nfs/dbraw/zinc/01/97/38/1097019738.db2.gz XOGYWUQLQMUKTC-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970045 1097019742 /nfs/dbraw/zinc/01/97/42/1097019742.db2.gz XOGYWUQLQMUKTC-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CC1([NH3+])CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974995 1097022677 /nfs/dbraw/zinc/02/26/77/1097022677.db2.gz JNRYJTBCPRRNON-SFHVURJKSA-N 2 1 315.505 3.243 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975867 1097022818 /nfs/dbraw/zinc/02/28/18/1097022818.db2.gz GXLNCPDVMQQFGN-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975867 1097022825 /nfs/dbraw/zinc/02/28/25/1097022825.db2.gz GXLNCPDVMQQFGN-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975867 1097022829 /nfs/dbraw/zinc/02/28/29/1097022829.db2.gz GXLNCPDVMQQFGN-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975867 1097022834 /nfs/dbraw/zinc/02/28/34/1097022834.db2.gz GXLNCPDVMQQFGN-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977326 1097025712 /nfs/dbraw/zinc/02/57/12/1097025712.db2.gz QBLNHYWVBKDPHH-UHOSZYNNSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977326 1097025718 /nfs/dbraw/zinc/02/57/18/1097025718.db2.gz QBLNHYWVBKDPHH-UHOSZYNNSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977326 1097025723 /nfs/dbraw/zinc/02/57/23/1097025723.db2.gz QBLNHYWVBKDPHH-UHOSZYNNSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977326 1097025729 /nfs/dbraw/zinc/02/57/29/1097025729.db2.gz QBLNHYWVBKDPHH-UHOSZYNNSA-N 2 1 316.489 3.275 20 0 DGADMP CC1(C)C[C@H](Nc2cccnc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171977136 1097026567 /nfs/dbraw/zinc/02/65/67/1097026567.db2.gz XNUNZEYWWOCJRE-QGZVFWFLSA-N 2 1 324.472 3.395 20 0 DGADMP CN([C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987861 1097030091 /nfs/dbraw/zinc/03/00/91/1097030091.db2.gz KYEMSLLLPPHNOH-MOPGFXCFSA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987861 1097030095 /nfs/dbraw/zinc/03/00/95/1097030095.db2.gz KYEMSLLLPPHNOH-MOPGFXCFSA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987861 1097030100 /nfs/dbraw/zinc/03/01/00/1097030100.db2.gz KYEMSLLLPPHNOH-MOPGFXCFSA-N 2 1 315.505 3.066 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206154424 1097036291 /nfs/dbraw/zinc/03/62/91/1097036291.db2.gz IYWOHXMYPKJAFT-KGLIPLIRSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206154424 1097036296 /nfs/dbraw/zinc/03/62/96/1097036296.db2.gz IYWOHXMYPKJAFT-KGLIPLIRSA-N 2 1 304.331 3.009 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3cc(Cl)ccc3nc1C[NH3+])C2 ZINC001172101688 1097041560 /nfs/dbraw/zinc/04/15/60/1097041560.db2.gz HXJMZVCAXXRKCX-WDNDVIMCSA-N 2 1 318.852 3.336 20 0 DGADMP [NH3+]Cc1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172064931 1097044211 /nfs/dbraw/zinc/04/42/11/1097044211.db2.gz IYWMGHJBRPSOMK-REPLKXPHSA-N 2 1 310.445 3.100 20 0 DGADMP C[C@@H]1C[C@H](O)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067443 1097044624 /nfs/dbraw/zinc/04/46/24/1097044624.db2.gz CNGAHAZLEHUXBC-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067443 1097044628 /nfs/dbraw/zinc/04/46/28/1097044628.db2.gz CNGAHAZLEHUXBC-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067443 1097044635 /nfs/dbraw/zinc/04/46/35/1097044635.db2.gz CNGAHAZLEHUXBC-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067443 1097044638 /nfs/dbraw/zinc/04/46/38/1097044638.db2.gz CNGAHAZLEHUXBC-LGKHCZOZSA-N 2 1 314.473 3.027 20 0 DGADMP Cn1nccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069167 1097045748 /nfs/dbraw/zinc/04/57/48/1097045748.db2.gz RORYUZWAYGYRLZ-REPLKXPHSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1nccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069167 1097045753 /nfs/dbraw/zinc/04/57/53/1097045753.db2.gz RORYUZWAYGYRLZ-REPLKXPHSA-N 2 1 324.472 3.095 20 0 DGADMP OCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067780 1097046079 /nfs/dbraw/zinc/04/60/79/1097046079.db2.gz NUPFXINHWWBEMR-ACDBMABISA-N 2 1 316.489 3.324 20 0 DGADMP [NH3+]Cc1ccnn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069134 1097046154 /nfs/dbraw/zinc/04/61/54/1097046154.db2.gz RBWHHBSYCRRSJN-IZZQQSIFSA-N 2 1 310.445 3.100 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C2 ZINC001172101736 1097051427 /nfs/dbraw/zinc/05/14/27/1097051427.db2.gz AKQAGFJWVKQORH-CLLJXQQHSA-N 2 1 314.260 3.493 20 0 DGADMP Cc1ccccc1OCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102226 1097052986 /nfs/dbraw/zinc/05/29/86/1097052986.db2.gz LAPSTEMDTFMDSA-BCDXTJNWSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COc3cc(Cl)ccc31)C2 ZINC001172111009 1097055953 /nfs/dbraw/zinc/05/59/53/1097055953.db2.gz NYRNCVAVFITISY-HLPPOEQASA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COc3cc(Cl)ccc31)C2 ZINC001172111009 1097055957 /nfs/dbraw/zinc/05/59/57/1097055957.db2.gz NYRNCVAVFITISY-HLPPOEQASA-N 2 1 306.837 3.378 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1F)C1CC1)C2 ZINC001172110061 1097056870 /nfs/dbraw/zinc/05/68/70/1097056870.db2.gz JJKPVSITXMOQCY-IVSAIRAKSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1F)C1CC1)C2 ZINC001172110061 1097056879 /nfs/dbraw/zinc/05/68/79/1097056879.db2.gz JJKPVSITXMOQCY-IVSAIRAKSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(F)cn1)C1CC1)C2 ZINC001172109407 1097057832 /nfs/dbraw/zinc/05/78/32/1097057832.db2.gz CUIYVFTZSQBNOB-DFGXFYAUSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001172112959 1097059381 /nfs/dbraw/zinc/05/93/81/1097059381.db2.gz HDZBKJMWVGYEOX-CNDDSTCGSA-N 2 1 302.340 3.403 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001172112959 1097059384 /nfs/dbraw/zinc/05/93/84/1097059384.db2.gz HDZBKJMWVGYEOX-CNDDSTCGSA-N 2 1 302.340 3.403 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172112835 1097059711 /nfs/dbraw/zinc/05/97/11/1097059711.db2.gz ANIOPVOWKYPEJN-AFIMGQEJSA-N 2 1 316.445 3.124 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172119194 1097064288 /nfs/dbraw/zinc/06/42/88/1097064288.db2.gz VVRNXWOEYMFDAL-FJIDUMEYSA-N 2 1 322.493 3.103 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172119194 1097064294 /nfs/dbraw/zinc/06/42/94/1097064294.db2.gz VVRNXWOEYMFDAL-FJIDUMEYSA-N 2 1 322.493 3.103 20 0 DGADMP Cc1ccccc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121987 1097064557 /nfs/dbraw/zinc/06/45/57/1097064557.db2.gz OJUOJTCMMCDCIH-MANSERQUSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121987 1097064565 /nfs/dbraw/zinc/06/45/65/1097064565.db2.gz OJUOJTCMMCDCIH-MANSERQUSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121987 1097064571 /nfs/dbraw/zinc/06/45/71/1097064571.db2.gz OJUOJTCMMCDCIH-MANSERQUSA-N 2 1 314.473 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc3ccccc3n1)C2 ZINC001172119260 1097065178 /nfs/dbraw/zinc/06/51/78/1097065178.db2.gz XHZHSPVPFWVPPQ-LDLYASANSA-N 2 1 309.457 3.382 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124345 1097065700 /nfs/dbraw/zinc/06/57/00/1097065700.db2.gz KTKCLEYUNLDZKL-FCGDIQPGSA-N 2 1 300.446 3.075 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](OCc3ccccc3)C1)C2 ZINC001172122664 1097066603 /nfs/dbraw/zinc/06/66/03/1097066603.db2.gz RUBJCXTXAXEKIF-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](OCc3ccccc3)C1)C2 ZINC001172122664 1097066608 /nfs/dbraw/zinc/06/66/08/1097066608.db2.gz RUBJCXTXAXEKIF-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](OCc3ccccc3)C1)C2 ZINC001172122664 1097066615 /nfs/dbraw/zinc/06/66/15/1097066615.db2.gz RUBJCXTXAXEKIF-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232015 1097083303 /nfs/dbraw/zinc/08/33/03/1097083303.db2.gz XSAZROBTAWGWNT-UMQXSMKFSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232015 1097083307 /nfs/dbraw/zinc/08/33/07/1097083307.db2.gz XSAZROBTAWGWNT-UMQXSMKFSA-N 2 1 314.473 3.150 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2C)CC1 ZINC001172243917 1097089595 /nfs/dbraw/zinc/08/95/95/1097089595.db2.gz JMIYOUVDEVZMNR-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC001172249348 1097090468 /nfs/dbraw/zinc/09/04/68/1097090468.db2.gz CHMWAFCZFPBLEI-UHFFFAOYSA-N 2 1 320.452 3.295 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001172254953 1097091411 /nfs/dbraw/zinc/09/14/11/1097091411.db2.gz DVKAXGXWPCDZOY-IBGZPJMESA-N 2 1 317.477 3.110 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001172254953 1097091416 /nfs/dbraw/zinc/09/14/16/1097091416.db2.gz DVKAXGXWPCDZOY-IBGZPJMESA-N 2 1 317.477 3.110 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163864 1097093853 /nfs/dbraw/zinc/09/38/53/1097093853.db2.gz GXACGUUJVNFKBO-MSOLQXFVSA-N 2 1 316.420 3.500 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163864 1097093861 /nfs/dbraw/zinc/09/38/61/1097093861.db2.gz GXACGUUJVNFKBO-MSOLQXFVSA-N 2 1 316.420 3.500 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172281300 1097102623 /nfs/dbraw/zinc/10/26/23/1097102623.db2.gz SIOOHICTFNYORV-BZSNNMDCSA-N 2 1 302.462 3.326 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC001172279192 1097102669 /nfs/dbraw/zinc/10/26/69/1097102669.db2.gz GFOHMHYHIOLMIV-NEWSRXKRSA-N 2 1 316.489 3.302 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CO1 ZINC001172286971 1097104505 /nfs/dbraw/zinc/10/45/05/1097104505.db2.gz HUPPCKICFZILDW-KRWDZBQOSA-N 2 1 318.461 3.135 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC001172291948 1097106650 /nfs/dbraw/zinc/10/66/50/1097106650.db2.gz KKJOFIMWDUINFM-QRVBRYPASA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC001172291948 1097106651 /nfs/dbraw/zinc/10/66/51/1097106651.db2.gz KKJOFIMWDUINFM-QRVBRYPASA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC001172291948 1097106655 /nfs/dbraw/zinc/10/66/55/1097106655.db2.gz KKJOFIMWDUINFM-QRVBRYPASA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001172402941 1097129650 /nfs/dbraw/zinc/12/96/50/1097129650.db2.gz PYWLDHJRVCNUSB-SLFFLAALSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001172402941 1097129653 /nfs/dbraw/zinc/12/96/53/1097129653.db2.gz PYWLDHJRVCNUSB-SLFFLAALSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001172402941 1097129656 /nfs/dbraw/zinc/12/96/56/1097129656.db2.gz PYWLDHJRVCNUSB-SLFFLAALSA-N 2 1 322.537 3.491 20 0 DGADMP CCOCC[C@@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172419629 1097135212 /nfs/dbraw/zinc/13/52/12/1097135212.db2.gz IPYAMMPBDVNDDL-QGZVFWFLSA-N 2 1 304.478 3.446 20 0 DGADMP CCOCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172430658 1097138831 /nfs/dbraw/zinc/13/88/31/1097138831.db2.gz JEIWQSXCUORBOR-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172430658 1097138834 /nfs/dbraw/zinc/13/88/34/1097138834.db2.gz JEIWQSXCUORBOR-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172430658 1097138837 /nfs/dbraw/zinc/13/88/37/1097138837.db2.gz JEIWQSXCUORBOR-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001172401282 1097145999 /nfs/dbraw/zinc/14/59/99/1097145999.db2.gz LOPGNHWXBNNOEI-VAMGGRTRSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001172401282 1097146003 /nfs/dbraw/zinc/14/60/03/1097146003.db2.gz LOPGNHWXBNNOEI-VAMGGRTRSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001172401282 1097146007 /nfs/dbraw/zinc/14/60/07/1097146007.db2.gz LOPGNHWXBNNOEI-VAMGGRTRSA-N 2 1 322.537 3.491 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccnc(SC(C)C)n3)(C1)CCC2 ZINC001277347368 1097232064 /nfs/dbraw/zinc/23/20/64/1097232064.db2.gz LTLAIAXYLREFLU-DLBZAZTESA-N 2 1 320.506 3.132 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCC(=O)OC(C)C)CC1 ZINC001172771063 1097236784 /nfs/dbraw/zinc/23/67/84/1097236784.db2.gz RCVXMWINMNBYTF-MRXNPFEDSA-N 2 1 312.498 3.303 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172950956 1097300107 /nfs/dbraw/zinc/30/01/07/1097300107.db2.gz OFGOFOZYHOXNMJ-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172950956 1097300113 /nfs/dbraw/zinc/30/01/13/1097300113.db2.gz OFGOFOZYHOXNMJ-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172950956 1097300120 /nfs/dbraw/zinc/30/01/20/1097300120.db2.gz OFGOFOZYHOXNMJ-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CCCOC1CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001173098304 1097321806 /nfs/dbraw/zinc/32/18/06/1097321806.db2.gz NPHBXUKAHDIKQE-UHFFFAOYSA-N 2 1 306.494 3.142 20 0 DGADMP CCCOC1CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001173098304 1097321813 /nfs/dbraw/zinc/32/18/13/1097321813.db2.gz NPHBXUKAHDIKQE-UHFFFAOYSA-N 2 1 306.494 3.142 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173101617 1097329266 /nfs/dbraw/zinc/32/92/66/1097329266.db2.gz LKSQJDAXMIWXMA-JCYILVPMSA-N 2 1 312.498 3.207 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC001173113380 1097332722 /nfs/dbraw/zinc/33/27/22/1097332722.db2.gz OUMYIKIVNUPQJF-FHERZECASA-N 2 1 312.498 3.301 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)CC1 ZINC001173113405 1097332928 /nfs/dbraw/zinc/33/29/28/1097332928.db2.gz PNIHLRBWPMHQBE-GPANFISMSA-N 2 1 316.436 3.140 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC1 ZINC001173111247 1097332990 /nfs/dbraw/zinc/33/29/90/1097332990.db2.gz UGDXMLZCBRALAD-UGXKVIGPSA-N 2 1 308.510 3.388 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173196184 1097358576 /nfs/dbraw/zinc/35/85/76/1097358576.db2.gz JZEGYEIJMNHRDV-LRYGQEGESA-N 2 1 302.462 3.308 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173196916 1097359053 /nfs/dbraw/zinc/35/90/53/1097359053.db2.gz WZCFPXLHVOBFJK-HFCFLWKCSA-N 2 1 302.462 3.451 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001173169526 1097364372 /nfs/dbraw/zinc/36/43/72/1097364372.db2.gz PERWKZWFSWGNIP-NEPXVJNWSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001173169526 1097364375 /nfs/dbraw/zinc/36/43/75/1097364375.db2.gz PERWKZWFSWGNIP-NEPXVJNWSA-N 2 1 302.462 3.197 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173205993 1097379440 /nfs/dbraw/zinc/37/94/40/1097379440.db2.gz NVTGCHPMJTYEPM-OYGLOCFBSA-N 2 1 314.473 3.260 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001173266028 1097390034 /nfs/dbraw/zinc/39/00/34/1097390034.db2.gz XRBHSRDJUPBJFJ-LPHOPBHVSA-N 2 1 302.462 3.187 20 0 DGADMP CCSC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001173299186 1097402316 /nfs/dbraw/zinc/40/23/16/1097402316.db2.gz BRTXUCYZEWYESH-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001173299186 1097402320 /nfs/dbraw/zinc/40/23/20/1097402320.db2.gz BRTXUCYZEWYESH-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001173299186 1097402323 /nfs/dbraw/zinc/40/23/23/1097402323.db2.gz BRTXUCYZEWYESH-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001173299186 1097402327 /nfs/dbraw/zinc/40/23/27/1097402327.db2.gz BRTXUCYZEWYESH-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001173299186 1097402330 /nfs/dbraw/zinc/40/23/30/1097402330.db2.gz BRTXUCYZEWYESH-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CCSC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299284 1097402884 /nfs/dbraw/zinc/40/28/84/1097402884.db2.gz UQXCVNCUYIVGNQ-ZOBUZTSGSA-N 2 1 307.507 3.295 20 0 DGADMP CCN1CC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173353256 1097423968 /nfs/dbraw/zinc/42/39/68/1097423968.db2.gz BRTYFGFSSDEKFY-GUDVDZBRSA-N 2 1 307.526 3.233 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206213911 1097500700 /nfs/dbraw/zinc/50/07/00/1097500700.db2.gz WQEKUFUPWKFTMD-MSOLQXFVSA-N 2 1 308.441 3.352 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206213911 1097500705 /nfs/dbraw/zinc/50/07/05/1097500705.db2.gz WQEKUFUPWKFTMD-MSOLQXFVSA-N 2 1 308.441 3.352 20 0 DGADMP CN(C)c1cc[nH+]cc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174393226 1097688405 /nfs/dbraw/zinc/68/84/05/1097688405.db2.gz UIBIXCXJNXGPFB-UHFFFAOYSA-N 2 1 308.429 3.349 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCOc1ccccc1F)C2 ZINC001277499123 1097699972 /nfs/dbraw/zinc/69/99/72/1097699972.db2.gz KEHZHARABIQDKC-SFHVURJKSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCOc1ccccc1F)C2 ZINC001277499123 1097699975 /nfs/dbraw/zinc/69/99/75/1097699975.db2.gz KEHZHARABIQDKC-SFHVURJKSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCOc1ccccc1F)C2 ZINC001277499123 1097699976 /nfs/dbraw/zinc/69/99/76/1097699976.db2.gz KEHZHARABIQDKC-SFHVURJKSA-N 2 1 306.425 3.012 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(-c2ccccc2)c1 ZINC001231511683 1097768618 /nfs/dbraw/zinc/76/86/18/1097768618.db2.gz UYVAWPNTNJMQHA-UHFFFAOYSA-N 2 1 323.484 3.033 20 0 DGADMP Cn1c[nH+]c2cccc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c21 ZINC001174815006 1097845903 /nfs/dbraw/zinc/84/59/03/1097845903.db2.gz UXCQPZSBDWDFIT-UHFFFAOYSA-N 2 1 321.428 3.069 20 0 DGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(-n2ccnc2)cc1 ZINC001232017216 1097919809 /nfs/dbraw/zinc/91/98/09/1097919809.db2.gz NPHXXHZYKGRFKP-UHFFFAOYSA-N 2 1 317.396 3.381 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001232145193 1097949659 /nfs/dbraw/zinc/94/96/59/1097949659.db2.gz XTPFMSXMVKGCGX-ZBFHGGJFSA-N 2 1 312.379 3.364 20 0 DGADMP Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(C2CC2)n1 ZINC001232170898 1097956656 /nfs/dbraw/zinc/95/66/56/1097956656.db2.gz FMGDHUNJHJXAEV-GOSISDBHSA-N 2 1 316.493 3.138 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(C2CC2)n1 ZINC001232170898 1097956662 /nfs/dbraw/zinc/95/66/62/1097956662.db2.gz FMGDHUNJHJXAEV-GOSISDBHSA-N 2 1 316.493 3.138 20 0 DGADMP CC(=O)Nc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)c(C)c1 ZINC001232189610 1097960063 /nfs/dbraw/zinc/96/00/63/1097960063.db2.gz IETNPWKKGQVYFE-UHFFFAOYSA-N 2 1 317.477 3.258 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccnc(C(C)(C)C)c3)CC2)cc[nH+]1 ZINC001232219409 1097971776 /nfs/dbraw/zinc/97/17/76/1097971776.db2.gz QYGSURIRXXLNLL-UHFFFAOYSA-N 2 1 324.472 3.405 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnsc2)CC3)co1 ZINC001232228742 1097974702 /nfs/dbraw/zinc/97/47/02/1097974702.db2.gz XDVBRTYZNODJBH-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238404 1097979536 /nfs/dbraw/zinc/97/95/36/1097979536.db2.gz LSBQVCKHLLJIAX-FQEVSTJZSA-N 2 1 309.457 3.064 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238404 1097979542 /nfs/dbraw/zinc/97/95/42/1097979542.db2.gz LSBQVCKHLLJIAX-FQEVSTJZSA-N 2 1 309.457 3.064 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238404 1097979548 /nfs/dbraw/zinc/97/95/48/1097979548.db2.gz LSBQVCKHLLJIAX-FQEVSTJZSA-N 2 1 309.457 3.064 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238404 1097979553 /nfs/dbraw/zinc/97/95/53/1097979553.db2.gz LSBQVCKHLLJIAX-FQEVSTJZSA-N 2 1 309.457 3.064 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238404 1097979560 /nfs/dbraw/zinc/97/95/60/1097979560.db2.gz LSBQVCKHLLJIAX-FQEVSTJZSA-N 2 1 309.457 3.064 20 0 DGADMP CC1(C)C[C@@H](O)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001175410825 1098037749 /nfs/dbraw/zinc/03/77/49/1098037749.db2.gz ONLHMDGXVPGBJP-LJQANCHMSA-N 2 1 316.489 3.265 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3c[nH]c(C)n3)CC2)CC1 ZINC001232466146 1098046501 /nfs/dbraw/zinc/04/65/01/1098046501.db2.gz VBPPWOBARHHLHB-UHFFFAOYSA-N 2 1 304.482 3.052 20 0 DGADMP Cc1cc[nH+]c(N2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001277680764 1098076371 /nfs/dbraw/zinc/07/63/71/1098076371.db2.gz OYWIGBGLJGXIKL-UHFFFAOYSA-N 2 1 310.445 3.211 20 0 DGADMP Cc1cc[nH+]c(N2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001277680764 1098076374 /nfs/dbraw/zinc/07/63/74/1098076374.db2.gz OYWIGBGLJGXIKL-UHFFFAOYSA-N 2 1 310.445 3.211 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC001277693494 1098104748 /nfs/dbraw/zinc/10/47/48/1098104748.db2.gz JDQPMRQALRYVBZ-UHFFFAOYSA-N 2 1 310.445 3.292 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc4ncsc4c3)C[C@H]2C1 ZINC001232744108 1098126392 /nfs/dbraw/zinc/12/63/92/1098126392.db2.gz MJUKHKWJWXCVIL-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(CCO)cc1 ZINC001232779102 1098130807 /nfs/dbraw/zinc/13/08/07/1098130807.db2.gz GOUDLXVQYHBCAS-VQTJNVASSA-N 2 1 316.489 3.060 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(CCO)cc1 ZINC001232779102 1098130809 /nfs/dbraw/zinc/13/08/09/1098130809.db2.gz GOUDLXVQYHBCAS-VQTJNVASSA-N 2 1 316.489 3.060 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(CCO)cc1 ZINC001232779102 1098130812 /nfs/dbraw/zinc/13/08/12/1098130812.db2.gz GOUDLXVQYHBCAS-VQTJNVASSA-N 2 1 316.489 3.060 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001176024271 1098236132 /nfs/dbraw/zinc/23/61/32/1098236132.db2.gz OAPAWODQPXDESK-KRWDZBQOSA-N 2 1 313.530 3.029 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001233210986 1098251408 /nfs/dbraw/zinc/25/14/08/1098251408.db2.gz OXRFZKJBHQEWOT-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176286816 1098300532 /nfs/dbraw/zinc/30/05/32/1098300532.db2.gz YKIGETJHJSLBBT-KRWDZBQOSA-N 2 1 323.525 3.093 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001176269041 1098310134 /nfs/dbraw/zinc/31/01/34/1098310134.db2.gz PUFVUOAVQIJAAH-QGZVFWFLSA-N 2 1 313.530 3.029 20 0 DGADMP Cc1cc(C)[nH+]c(Nc2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001176352062 1098329334 /nfs/dbraw/zinc/32/93/34/1098329334.db2.gz LDHVXBTXCKTRBW-UHFFFAOYSA-N 2 1 300.406 3.168 20 0 DGADMP CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277807570 1098430848 /nfs/dbraw/zinc/43/08/48/1098430848.db2.gz OFRRYQDHKFXUCP-BMFZPTHFSA-N 2 1 307.507 3.394 20 0 DGADMP CC[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277807570 1098430851 /nfs/dbraw/zinc/43/08/51/1098430851.db2.gz OFRRYQDHKFXUCP-BMFZPTHFSA-N 2 1 307.507 3.394 20 0 DGADMP CC[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277807570 1098430852 /nfs/dbraw/zinc/43/08/52/1098430852.db2.gz OFRRYQDHKFXUCP-BMFZPTHFSA-N 2 1 307.507 3.394 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874195 1098447020 /nfs/dbraw/zinc/44/70/20/1098447020.db2.gz HAXYEVTXZLDETI-ROUUACIJSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874195 1098447021 /nfs/dbraw/zinc/44/70/21/1098447021.db2.gz HAXYEVTXZLDETI-ROUUACIJSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874195 1098447025 /nfs/dbraw/zinc/44/70/25/1098447025.db2.gz HAXYEVTXZLDETI-ROUUACIJSA-N 2 1 302.462 3.274 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874196 1098447051 /nfs/dbraw/zinc/44/70/51/1098447051.db2.gz HAXYEVTXZLDETI-ZWKOTPCHSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874196 1098447054 /nfs/dbraw/zinc/44/70/54/1098447054.db2.gz HAXYEVTXZLDETI-ZWKOTPCHSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874196 1098447056 /nfs/dbraw/zinc/44/70/56/1098447056.db2.gz HAXYEVTXZLDETI-ZWKOTPCHSA-N 2 1 302.462 3.274 20 0 DGADMP c1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001176940681 1098453053 /nfs/dbraw/zinc/45/30/53/1098453053.db2.gz UZEUHEVQJMEPIB-IBGZPJMESA-N 2 1 302.462 3.326 20 0 DGADMP c1ccc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001176940681 1098453055 /nfs/dbraw/zinc/45/30/55/1098453055.db2.gz UZEUHEVQJMEPIB-IBGZPJMESA-N 2 1 302.462 3.326 20 0 DGADMP C[NH+](C)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206286970 1098453620 /nfs/dbraw/zinc/45/36/20/1098453620.db2.gz PXXABBRFHNEMIH-CYBMUJFWSA-N 2 1 317.260 3.146 20 0 DGADMP C[NH+](C)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206286970 1098453624 /nfs/dbraw/zinc/45/36/24/1098453624.db2.gz PXXABBRFHNEMIH-CYBMUJFWSA-N 2 1 317.260 3.146 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](C[C@@H]4CC(C)(C)OC4(C)C)C[C@@]2(C1)CCCC3 ZINC001177014757 1098462763 /nfs/dbraw/zinc/46/27/63/1098462763.db2.gz AKTHRNBOIRHBSP-FFZOFVMBSA-N 2 1 320.521 3.388 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](C[C@@H]4CC(C)(C)OC4(C)C)C[C@@]2(C1)CCCC3 ZINC001177014757 1098462766 /nfs/dbraw/zinc/46/27/66/1098462766.db2.gz AKTHRNBOIRHBSP-FFZOFVMBSA-N 2 1 320.521 3.388 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](C[C@@H]4CC(C)(C)OC4(C)C)C[C@@]2(C1)CCCC3 ZINC001177014757 1098462769 /nfs/dbraw/zinc/46/27/69/1098462769.db2.gz AKTHRNBOIRHBSP-FFZOFVMBSA-N 2 1 320.521 3.388 20 0 DGADMP CCOCC[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277856295 1098554074 /nfs/dbraw/zinc/55/40/74/1098554074.db2.gz LDEVCWFQXJCZJH-UHFFFAOYSA-N 2 1 322.415 3.153 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC001177742526 1098597909 /nfs/dbraw/zinc/59/79/09/1098597909.db2.gz JDRMNHCXARBQTF-GDBMZVCRSA-N 2 1 323.506 3.205 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC001177742526 1098597915 /nfs/dbraw/zinc/59/79/15/1098597915.db2.gz JDRMNHCXARBQTF-GDBMZVCRSA-N 2 1 323.506 3.205 20 0 DGADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC(C)C)c1 ZINC001234719699 1098655291 /nfs/dbraw/zinc/65/52/91/1098655291.db2.gz DQFSWCAFOUKAPL-IBGZPJMESA-N 2 1 318.461 3.010 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001234860052 1098686707 /nfs/dbraw/zinc/68/67/07/1098686707.db2.gz CMDXAAWCOPIJHR-UHFFFAOYSA-N 2 1 308.466 3.142 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001234860052 1098686711 /nfs/dbraw/zinc/68/67/11/1098686711.db2.gz CMDXAAWCOPIJHR-UHFFFAOYSA-N 2 1 308.466 3.142 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234992212 1098735434 /nfs/dbraw/zinc/73/54/34/1098735434.db2.gz HUUNOSALRBQYCQ-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234992212 1098735444 /nfs/dbraw/zinc/73/54/44/1098735444.db2.gz HUUNOSALRBQYCQ-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234990729 1098736843 /nfs/dbraw/zinc/73/68/43/1098736843.db2.gz DSMYVHYEZHIFJP-FQEVSTJZSA-N 2 1 313.489 3.252 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234990729 1098736854 /nfs/dbraw/zinc/73/68/54/1098736854.db2.gz DSMYVHYEZHIFJP-FQEVSTJZSA-N 2 1 313.489 3.252 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234992223 1098737249 /nfs/dbraw/zinc/73/72/49/1098737249.db2.gz HUUNOSALRBQYCQ-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234992223 1098737260 /nfs/dbraw/zinc/73/72/60/1098737260.db2.gz HUUNOSALRBQYCQ-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc2c(c1)cccc2C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235006535 1098747600 /nfs/dbraw/zinc/74/76/00/1098747600.db2.gz IWCGLIUQOIWHSM-HXUWFJFHSA-N 2 1 310.441 3.042 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235009325 1098750449 /nfs/dbraw/zinc/75/04/49/1098750449.db2.gz ZCRKQCCUFKMRAF-OALUTQOASA-N 2 1 308.510 3.461 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235009326 1098751455 /nfs/dbraw/zinc/75/14/55/1098751455.db2.gz ZCRKQCCUFKMRAF-RBUKOAKNSA-N 2 1 308.510 3.461 20 0 DGADMP Brc1ccccc1CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032549 1098762029 /nfs/dbraw/zinc/76/20/29/1098762029.db2.gz QXWVMLIVCUNMEV-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP Brc1ccccc1CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032549 1098762038 /nfs/dbraw/zinc/76/20/38/1098762038.db2.gz QXWVMLIVCUNMEV-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1)OCc1ccccc1 ZINC001235041882 1098770168 /nfs/dbraw/zinc/77/01/68/1098770168.db2.gz UOGJDPDYVLCWNG-HKUYNNGSSA-N 2 1 302.462 3.200 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1C ZINC001235047233 1098774522 /nfs/dbraw/zinc/77/45/22/1098774522.db2.gz UBLQNBNNOVDRLY-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001206325762 1098786285 /nfs/dbraw/zinc/78/62/85/1098786285.db2.gz JJDYRKBCBWUVGY-INIZCTEOSA-N 2 1 316.367 3.378 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235089178 1098790882 /nfs/dbraw/zinc/79/08/82/1098790882.db2.gz LWDGUWYRHMITDK-UHFFFAOYSA-N 2 1 308.853 3.313 20 0 DGADMP Fc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1Cl ZINC001235091448 1098793275 /nfs/dbraw/zinc/79/32/75/1098793275.db2.gz BXCNVSJITHKRRO-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1Cl ZINC001235091448 1098793281 /nfs/dbraw/zinc/79/32/81/1098793281.db2.gz BXCNVSJITHKRRO-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1ccccc1-n1cccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091754 1098793326 /nfs/dbraw/zinc/79/33/26/1098793326.db2.gz BHKDWVYQPCQPPP-UHFFFAOYSA-N 2 1 313.420 3.192 20 0 DGADMP Brc1ccccc1CC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235141797 1098833831 /nfs/dbraw/zinc/83/38/31/1098833831.db2.gz ZAAADUZXYFIXEJ-UHFFFAOYSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1ccccc1CC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141797 1098833838 /nfs/dbraw/zinc/83/38/38/1098833838.db2.gz ZAAADUZXYFIXEJ-UHFFFAOYSA-N 2 1 323.278 3.210 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(OCC)c1 ZINC001235141662 1098833889 /nfs/dbraw/zinc/83/38/89/1098833889.db2.gz VJNNKRRCNIPRSH-UHFFFAOYSA-N 2 1 318.461 3.202 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(OCC)c1 ZINC001235141662 1098833895 /nfs/dbraw/zinc/83/38/95/1098833895.db2.gz VJNNKRRCNIPRSH-UHFFFAOYSA-N 2 1 318.461 3.202 20 0 DGADMP Cc1cnc(Cl)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235153292 1098838795 /nfs/dbraw/zinc/83/87/95/1098838795.db2.gz JHXSORJQJCSICJ-MRXNPFEDSA-N 2 1 307.869 3.398 20 0 DGADMP CSc1ncc(C)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154104 1098839115 /nfs/dbraw/zinc/83/91/15/1098839115.db2.gz ILUFAQOTASGTCZ-KRWDZBQOSA-N 2 1 319.518 3.466 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ncc1Cl ZINC001235155738 1098843051 /nfs/dbraw/zinc/84/30/51/1098843051.db2.gz MNZLHOHQFNTVPU-KRWDZBQOSA-N 2 1 307.869 3.398 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2nsnc12 ZINC001235157959 1098845070 /nfs/dbraw/zinc/84/50/70/1098845070.db2.gz SRESYDZXSWZLBK-KRWDZBQOSA-N 2 1 316.474 3.045 20 0 DGADMP CCC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001178526761 1098856735 /nfs/dbraw/zinc/85/67/35/1098856735.db2.gz BCVNAGTVHOJYIK-INIZCTEOSA-N 2 1 322.497 3.073 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCCCC34CC[NH2+]CC4)cc21 ZINC001235191152 1098866773 /nfs/dbraw/zinc/86/67/73/1098866773.db2.gz NDMTYLMBKRGUSQ-UHFFFAOYSA-N 2 1 313.489 3.177 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001235189853 1098868294 /nfs/dbraw/zinc/86/82/94/1098868294.db2.gz FJBKTZKPCNPKQL-SJORKVTESA-N 2 1 324.424 3.226 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001235189853 1098868300 /nfs/dbraw/zinc/86/83/00/1098868300.db2.gz FJBKTZKPCNPKQL-SJORKVTESA-N 2 1 324.424 3.226 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235198092 1098872865 /nfs/dbraw/zinc/87/28/65/1098872865.db2.gz MXNCTXBIKAXJKP-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc(C)c1-c1ccc(F)cc1 ZINC001235209004 1098880176 /nfs/dbraw/zinc/88/01/76/1098880176.db2.gz GPFMDVYACLHILW-RUYXUALKSA-N 2 1 310.416 3.498 20 0 DGADMP COC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206337017 1098891900 /nfs/dbraw/zinc/89/19/00/1098891900.db2.gz QEYRVFUWGVOLGO-QGZVFWFLSA-N 2 1 324.852 3.078 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC=C(C)C ZINC001178634051 1098893558 /nfs/dbraw/zinc/89/35/58/1098893558.db2.gz MOSUHBAOKHJFIZ-SFHVURJKSA-N 2 1 323.525 3.093 20 0 DGADMP COc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Cl)n1 ZINC001235236314 1098909326 /nfs/dbraw/zinc/90/93/26/1098909326.db2.gz DWYXOXUJWXQCNG-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP COc1cnc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(Cl)c1 ZINC001235236593 1098909389 /nfs/dbraw/zinc/90/93/89/1098909389.db2.gz FMNGEOILYHAHDK-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP COc1nccc(Cl)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235238972 1098911656 /nfs/dbraw/zinc/91/16/56/1098911656.db2.gz RLQUTGJMZDGOLU-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693530 1098911859 /nfs/dbraw/zinc/91/18/59/1098911859.db2.gz VJDMEKSROWOZLF-GOSISDBHSA-N 2 1 323.525 3.070 20 0 DGADMP Cc1ccc2[nH]c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235240182 1098914163 /nfs/dbraw/zinc/91/41/63/1098914163.db2.gz WGRLBOSENOZZKP-INIZCTEOSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235240182 1098914170 /nfs/dbraw/zinc/91/41/70/1098914170.db2.gz WGRLBOSENOZZKP-INIZCTEOSA-N 2 1 312.461 3.225 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235254313 1098924947 /nfs/dbraw/zinc/92/49/47/1098924947.db2.gz HYWAZCDTERXRCM-HOCLYGCPSA-N 2 1 312.379 3.322 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(OCc2ccccc2)c1 ZINC001235254391 1098925910 /nfs/dbraw/zinc/92/59/10/1098925910.db2.gz IJNXCNZOCUWNIU-UFYCRDLUSA-N 2 1 322.452 3.496 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(OCc2ccccc2)c1 ZINC001235254391 1098925923 /nfs/dbraw/zinc/92/59/23/1098925923.db2.gz IJNXCNZOCUWNIU-UFYCRDLUSA-N 2 1 322.452 3.496 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)cc1 ZINC001235255965 1098926735 /nfs/dbraw/zinc/92/67/35/1098926735.db2.gz OOSIENLIDXJADF-JBACZVJFSA-N 2 1 321.468 3.341 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(C)C ZINC001235260663 1098933299 /nfs/dbraw/zinc/93/32/99/1098933299.db2.gz GYFDSLIKYZZVHT-ZWKOTPCHSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(C)C ZINC001235260663 1098933306 /nfs/dbraw/zinc/93/33/06/1098933306.db2.gz GYFDSLIKYZZVHT-ZWKOTPCHSA-N 2 1 302.462 3.274 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235264979 1098937177 /nfs/dbraw/zinc/93/71/77/1098937177.db2.gz SCEIZOOMCDTFEV-CTNGQTDRSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235264979 1098937184 /nfs/dbraw/zinc/93/71/84/1098937184.db2.gz SCEIZOOMCDTFEV-CTNGQTDRSA-N 2 1 322.452 3.449 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235338392 1098962035 /nfs/dbraw/zinc/96/20/35/1098962035.db2.gz ADGOKMHQGRXGJI-LBPRGKRZSA-N 2 1 316.392 3.340 20 0 DGADMP Fc1c(Cl)cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235340013 1098965222 /nfs/dbraw/zinc/96/52/22/1098965222.db2.gz GLVHITDOIPYOFK-SNVBAGLBSA-N 2 1 303.208 3.174 20 0 DGADMP Fc1ccccc1CC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348154 1098969999 /nfs/dbraw/zinc/96/99/99/1098969999.db2.gz BMRIBKVTHHYAFU-TZIWHRDSSA-N 2 1 324.443 3.447 20 0 DGADMP CCCCc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)s1 ZINC001235365933 1098981737 /nfs/dbraw/zinc/98/17/37/1098981737.db2.gz CIQZFFLVZISINY-IIDMSEBBSA-N 2 1 320.502 3.044 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235366262 1098984433 /nfs/dbraw/zinc/98/44/33/1098984433.db2.gz QRMXTWQQHOVRAL-FPOVZHCZSA-N 2 1 322.452 3.145 20 0 DGADMP CS[C@H](C)CC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377125 1098985713 /nfs/dbraw/zinc/98/57/13/1098985713.db2.gz AGAXTBUNERSQSP-NXHRZFHOSA-N 2 1 304.503 3.207 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cc1 ZINC001235393546 1098994321 /nfs/dbraw/zinc/99/43/21/1098994321.db2.gz BFZGPRQAAHSSJM-RDJZCZTQSA-N 2 1 304.453 3.493 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1CC ZINC001235400062 1098994810 /nfs/dbraw/zinc/99/48/10/1098994810.db2.gz CFODDYBWUXICCE-MOPGFXCFSA-N 2 1 320.452 3.171 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1CC ZINC001235400062 1098994820 /nfs/dbraw/zinc/99/48/20/1098994820.db2.gz CFODDYBWUXICCE-MOPGFXCFSA-N 2 1 320.452 3.171 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401025 1098996735 /nfs/dbraw/zinc/99/67/35/1098996735.db2.gz FRLIYBSENKWERG-RTBURBONSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401025 1098996739 /nfs/dbraw/zinc/99/67/39/1098996739.db2.gz FRLIYBSENKWERG-RTBURBONSA-N 2 1 320.452 3.306 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235409974 1099006577 /nfs/dbraw/zinc/00/65/77/1099006577.db2.gz WRQWNVSTIIGOOQ-MJGOQNOKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235409974 1099006589 /nfs/dbraw/zinc/00/65/89/1099006589.db2.gz WRQWNVSTIIGOOQ-MJGOQNOKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001235421124 1099014317 /nfs/dbraw/zinc/01/43/17/1099014317.db2.gz BEDVBQBZTPZIOR-MSOLQXFVSA-N 2 1 317.477 3.080 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)OCc1ccccc1 ZINC001235424011 1099015555 /nfs/dbraw/zinc/01/55/55/1099015555.db2.gz IOJQCHYEEFQDQL-DFQSSKMNSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425316 1099017251 /nfs/dbraw/zinc/01/72/51/1099017251.db2.gz ITTQLCORIBAJEB-HOTGVXAUSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425316 1099017262 /nfs/dbraw/zinc/01/72/62/1099017262.db2.gz ITTQLCORIBAJEB-HOTGVXAUSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425316 1099017274 /nfs/dbraw/zinc/01/72/74/1099017274.db2.gz ITTQLCORIBAJEB-HOTGVXAUSA-N 2 1 312.461 3.083 20 0 DGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235427404 1099018601 /nfs/dbraw/zinc/01/86/01/1099018601.db2.gz RSNUOUCMTIHXID-HZPDHXFCSA-N 2 1 308.416 3.219 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235425865 1099019965 /nfs/dbraw/zinc/01/99/65/1099019965.db2.gz JQCNAFLWMFPGLQ-DLBZAZTESA-N 2 1 302.462 3.215 20 0 DGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426790 1099020117 /nfs/dbraw/zinc/02/01/17/1099020117.db2.gz LJZGCNHPYRYIRN-IRXDYDNUSA-N 2 1 311.473 3.390 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC001235428975 1099022176 /nfs/dbraw/zinc/02/21/76/1099022176.db2.gz WAOWZFSSEYXHAD-IAGOWNOFSA-N 2 1 311.473 3.390 20 0 DGADMP c1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235428382 1099023941 /nfs/dbraw/zinc/02/39/41/1099023941.db2.gz VDVNACGSMHGULX-ZWKOTPCHSA-N 2 1 309.457 3.446 20 0 DGADMP Cc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235430282 1099024793 /nfs/dbraw/zinc/02/47/93/1099024793.db2.gz WNOSPIIYWILTLO-CABCVRRESA-N 2 1 308.416 3.485 20 0 DGADMP Cn1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2ccccc21 ZINC001235430361 1099024854 /nfs/dbraw/zinc/02/48/54/1099024854.db2.gz SGKAEJMGZUQYAI-MSOLQXFVSA-N 2 1 311.473 3.390 20 0 DGADMP Cc1c(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430002 1099024899 /nfs/dbraw/zinc/02/48/99/1099024899.db2.gz VOQVKZMUTRHQKC-CVEARBPZSA-N 2 1 308.416 3.485 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235432605 1099027430 /nfs/dbraw/zinc/02/74/30/1099027430.db2.gz NGHJHWHRDKNJRU-UHFFFAOYSA-N 2 1 316.367 3.145 20 0 DGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc21 ZINC001235432759 1099027718 /nfs/dbraw/zinc/02/77/18/1099027718.db2.gz YDXQWZMUGOTOMU-RBUKOAKNSA-N 2 1 311.473 3.390 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432002 1099029760 /nfs/dbraw/zinc/02/97/60/1099029760.db2.gz QBURQPLYTIUOJA-HZPDHXFCSA-N 2 1 320.452 3.354 20 0 DGADMP CCOc1c(Cl)ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1F ZINC001235433980 1099031260 /nfs/dbraw/zinc/03/12/60/1099031260.db2.gz UUJKATWOFHJABO-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C)CCC[NH3+])cc1Br ZINC001235435267 1099032729 /nfs/dbraw/zinc/03/27/29/1099032729.db2.gz FZVHDKXFEDVCRK-UHFFFAOYSA-N 2 1 315.255 3.017 20 0 DGADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1OCC(C)C ZINC001179266314 1099050934 /nfs/dbraw/zinc/05/09/34/1099050934.db2.gz LVDWSODXZJBACG-OAHLLOKOSA-N 2 1 308.466 3.160 20 0 DGADMP CC[N@@H+](Cc1c[nH]c2cnc(Cl)cc12)C1CCN(C)CC1 ZINC001235507307 1099066941 /nfs/dbraw/zinc/06/69/41/1099066941.db2.gz ACIDCSWQKULDNA-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235508276 1099069737 /nfs/dbraw/zinc/06/97/37/1099069737.db2.gz GSVFFZQYZXDXPI-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235508276 1099069748 /nfs/dbraw/zinc/06/97/48/1099069748.db2.gz GSVFFZQYZXDXPI-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP CSc1ncc(C)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277950223 1099070077 /nfs/dbraw/zinc/07/00/77/1099070077.db2.gz VTZKFCCNSPFETG-UHFFFAOYSA-N 2 1 319.518 3.420 20 0 DGADMP C[N@@H+](CCCc1ccccc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235670624 1099114293 /nfs/dbraw/zinc/11/42/93/1099114293.db2.gz XKLGBCXZAVVSED-UHFFFAOYSA-N 2 1 323.484 3.161 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCC[NH2+]C2CCCCC2)CC1 ZINC001235675135 1099117963 /nfs/dbraw/zinc/11/79/63/1099117963.db2.gz JMXUMLWSYQGENW-UHFFFAOYSA-N 3 1 309.542 3.351 20 0 DGADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(C(F)(F)F)cc2)CC1 ZINC001235676298 1099120305 /nfs/dbraw/zinc/12/03/05/1099120305.db2.gz ZZWOTCXVQSFHKJ-UHFFFAOYSA-N 2 1 316.367 3.158 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1NCC2 ZINC001235677209 1099120764 /nfs/dbraw/zinc/12/07/64/1099120764.db2.gz FRLCFMHZMPSANW-LJQANCHMSA-N 2 1 313.489 3.495 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235687472 1099128145 /nfs/dbraw/zinc/12/81/45/1099128145.db2.gz ICOVWUIDVAVXDF-LPHOPBHVSA-N 2 1 318.461 3.071 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235687473 1099128982 /nfs/dbraw/zinc/12/89/82/1099128982.db2.gz ICOVWUIDVAVXDF-QFBILLFUSA-N 2 1 318.461 3.071 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001235690001 1099130889 /nfs/dbraw/zinc/13/08/89/1099130889.db2.gz FCPKSCYAPHGPGY-QGZVFWFLSA-N 2 1 302.462 3.228 20 0 DGADMP COc1c(Cl)ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235713177 1099142243 /nfs/dbraw/zinc/14/22/43/1099142243.db2.gz DXUVKHMUGYLOGQ-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)cc(Cl)cc1F ZINC001235717694 1099143572 /nfs/dbraw/zinc/14/35/72/1099143572.db2.gz ZDNZFPXEYWLPOD-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)cc(Cl)cc1F ZINC001235717694 1099143573 /nfs/dbraw/zinc/14/35/73/1099143573.db2.gz ZDNZFPXEYWLPOD-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717690 1099144576 /nfs/dbraw/zinc/14/45/76/1099144576.db2.gz ZCNGFMPCLASFMJ-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717690 1099144581 /nfs/dbraw/zinc/14/45/81/1099144581.db2.gz ZCNGFMPCLASFMJ-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1OCc1ccccc1 ZINC001235750694 1099165213 /nfs/dbraw/zinc/16/52/13/1099165213.db2.gz RYESRTIPDQFFDU-SFHVURJKSA-N 2 1 310.441 3.355 20 0 DGADMP CC[N@H+](Cc1cc(Br)c(C)s1)C1CC[NH2+]CC1 ZINC001235761605 1099168999 /nfs/dbraw/zinc/16/89/99/1099168999.db2.gz MXMNDBWZRFFEKY-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP CC[N@@H+](Cc1cc(Br)c(C)s1)C1CC[NH2+]CC1 ZINC001235761605 1099169004 /nfs/dbraw/zinc/16/90/04/1099169004.db2.gz MXMNDBWZRFFEKY-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP c1ccc2c(c1)CCC[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001235833142 1099199286 /nfs/dbraw/zinc/19/92/86/1099199286.db2.gz COIZBYQIEWGTDI-UHFFFAOYSA-N 2 1 321.468 3.045 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842635 1099207215 /nfs/dbraw/zinc/20/72/15/1099207215.db2.gz QGWBOUQZHOJNNC-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842635 1099207220 /nfs/dbraw/zinc/20/72/20/1099207220.db2.gz QGWBOUQZHOJNNC-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001179814536 1099210949 /nfs/dbraw/zinc/21/09/49/1099210949.db2.gz AIRPHWLRMAOUKQ-UHOFOFEASA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001179814536 1099210954 /nfs/dbraw/zinc/21/09/54/1099210954.db2.gz AIRPHWLRMAOUKQ-UHOFOFEASA-N 2 1 308.853 3.169 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001235892064 1099236380 /nfs/dbraw/zinc/23/63/80/1099236380.db2.gz LIJKSQAXQWGULV-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001235892064 1099236389 /nfs/dbraw/zinc/23/63/89/1099236389.db2.gz LIJKSQAXQWGULV-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP Fc1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001235864931 1099224938 /nfs/dbraw/zinc/22/49/38/1099224938.db2.gz LAPGWOMTDKIKEX-WMLDXEAASA-N 2 1 308.466 3.305 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(C[NH3+])c2)CC1 ZINC001235864396 1099225105 /nfs/dbraw/zinc/22/51/05/1099225105.db2.gz QGSOCAQBSMCGFK-KRWDZBQOSA-N 2 1 309.457 3.024 20 0 DGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235866110 1099227500 /nfs/dbraw/zinc/22/75/00/1099227500.db2.gz HBMGIDRCCJSAEY-ABSDTBQOSA-N 2 1 316.489 3.381 20 0 DGADMP CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1F ZINC001235889226 1099234255 /nfs/dbraw/zinc/23/42/55/1099234255.db2.gz ZHPLQSDEDKIDCL-OAHLLOKOSA-N 2 1 324.415 3.328 20 0 DGADMP Cc1sc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925363 1099261344 /nfs/dbraw/zinc/26/13/44/1099261344.db2.gz JKFHKCWXYSEJEH-JTQLQIEISA-N 2 1 303.269 3.132 20 0 DGADMP Cc1sc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925363 1099261349 /nfs/dbraw/zinc/26/13/49/1099261349.db2.gz JKFHKCWXYSEJEH-JTQLQIEISA-N 2 1 303.269 3.132 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929090 1099264821 /nfs/dbraw/zinc/26/48/21/1099264821.db2.gz HQHSGZGAWHOBEV-QUCCMNQESA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(C(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc2)cc1 ZINC001235929751 1099265156 /nfs/dbraw/zinc/26/51/56/1099265156.db2.gz RVKPEEBXQOYJIO-WOJBJXKFSA-N 2 1 306.453 3.360 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235936780 1099270620 /nfs/dbraw/zinc/27/06/20/1099270620.db2.gz HDPIICZYLVQTMT-VQTJNVASSA-N 2 1 322.452 3.307 20 0 DGADMP COCCC[N@@H+](Cc1cc(Cl)ccc1C)C1CC[NH2+]CC1 ZINC001235940673 1099275683 /nfs/dbraw/zinc/27/56/83/1099275683.db2.gz XBQVOYWQMSOZAT-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCC[N@@H+](Cc1ccc(F)c2ccccc12)C1CC[NH2+]CC1 ZINC001235943496 1099276767 /nfs/dbraw/zinc/27/67/67/1099276767.db2.gz JZCZSTTWLMISOR-UHFFFAOYSA-N 2 1 316.420 3.179 20 0 DGADMP COCC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CC[NH2+]CC1 ZINC001235943418 1099277111 /nfs/dbraw/zinc/27/71/11/1099277111.db2.gz IKEMLGCUVDECEY-UHFFFAOYSA-N 2 1 304.478 3.086 20 0 DGADMP COCC[N@H+](Cc1ccc(Cl)c(C)c1C)C1CC[NH2+]CC1 ZINC001235943425 1099277139 /nfs/dbraw/zinc/27/71/39/1099277139.db2.gz IKMPCZFNFVSURL-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP COCC[N@@H+](Cc1ccc(Cl)c(C)c1C)C1CC[NH2+]CC1 ZINC001235943425 1099277148 /nfs/dbraw/zinc/27/71/48/1099277148.db2.gz IKMPCZFNFVSURL-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP C[N@H+](Cc1sc2ccccc2c1Cl)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235948379 1099281777 /nfs/dbraw/zinc/28/17/77/1099281777.db2.gz MVZXXOWKWQBONN-ITGUQSILSA-N 2 1 306.862 3.452 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235950465 1099282679 /nfs/dbraw/zinc/28/26/79/1099282679.db2.gz HJYQOFOOIAOZKT-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP COc1ccc([C@H](C)[N@H+](C)C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949919 1099283886 /nfs/dbraw/zinc/28/38/86/1099283886.db2.gz KGMJIVBMWHTRMF-DVOMOZLQSA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949919 1099283889 /nfs/dbraw/zinc/28/38/89/1099283889.db2.gz KGMJIVBMWHTRMF-DVOMOZLQSA-N 2 1 312.404 3.179 20 0 DGADMP c1ccc([C@@H]2CC[N@@H+]2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235949376 1099283905 /nfs/dbraw/zinc/28/39/05/1099283905.db2.gz HIYPQIWXBSBRID-FQEVSTJZSA-N 2 1 307.441 3.043 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958543 1099289041 /nfs/dbraw/zinc/28/90/41/1099289041.db2.gz HXQVZUBGGWGRKT-IZZQQSIFSA-N 2 1 302.462 3.425 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC1 ZINC001235958223 1099289271 /nfs/dbraw/zinc/28/92/71/1099289271.db2.gz AGCCILREKRNHDX-OKYOBFRVSA-N 2 1 320.521 3.323 20 0 DGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001235959019 1099292616 /nfs/dbraw/zinc/29/26/16/1099292616.db2.gz PHLYOOHHMDLNDD-AWEZNQCLSA-N 2 1 307.507 3.396 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001235963971 1099296414 /nfs/dbraw/zinc/29/64/14/1099296414.db2.gz XGPWOZSIFNOXJB-WMLDXEAASA-N 2 1 306.400 3.267 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001235963971 1099296423 /nfs/dbraw/zinc/29/64/23/1099296423.db2.gz XGPWOZSIFNOXJB-WMLDXEAASA-N 2 1 306.400 3.267 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c1NCC2 ZINC001235971856 1099300962 /nfs/dbraw/zinc/30/09/62/1099300962.db2.gz BGDKEJUQPUFZMW-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1NCC2 ZINC001235971856 1099300975 /nfs/dbraw/zinc/30/09/75/1099300975.db2.gz BGDKEJUQPUFZMW-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2c1NCC2 ZINC001235971856 1099300986 /nfs/dbraw/zinc/30/09/86/1099300986.db2.gz BGDKEJUQPUFZMW-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991140 1099315374 /nfs/dbraw/zinc/31/53/74/1099315374.db2.gz IDWZHBOHVKETBC-FPOVZHCZSA-N 2 1 321.468 3.343 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991140 1099315376 /nfs/dbraw/zinc/31/53/76/1099315376.db2.gz IDWZHBOHVKETBC-FPOVZHCZSA-N 2 1 321.468 3.343 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991772 1099316356 /nfs/dbraw/zinc/31/63/56/1099316356.db2.gz HRCFTXBNRUZVGR-JLVJUDLZSA-N 2 1 304.400 3.081 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991772 1099316369 /nfs/dbraw/zinc/31/63/69/1099316369.db2.gz HRCFTXBNRUZVGR-JLVJUDLZSA-N 2 1 304.400 3.081 20 0 DGADMP c1cc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccc2[nH]1 ZINC001236012533 1099334941 /nfs/dbraw/zinc/33/49/41/1099334941.db2.gz OJTCUDXSSGZAKZ-CTNGQTDRSA-N 2 1 317.436 3.141 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(C)c1 ZINC001236012891 1099336337 /nfs/dbraw/zinc/33/63/37/1099336337.db2.gz TXPMPBCEAAGZCT-RTWAWAEBSA-N 2 1 306.453 3.276 20 0 DGADMP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001236012304 1099336417 /nfs/dbraw/zinc/33/64/17/1099336417.db2.gz HQWGWKBHIHLHBC-JYRKZWEQSA-N 2 1 310.485 3.452 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCc2cccc(Br)c2)C1 ZINC001236043667 1099345186 /nfs/dbraw/zinc/34/51/86/1099345186.db2.gz CSFPTKQLEIBLHK-SWLSCSKDSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001236043667 1099345197 /nfs/dbraw/zinc/34/51/97/1099345197.db2.gz CSFPTKQLEIBLHK-SWLSCSKDSA-N 2 1 311.267 3.051 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3)s2)C1 ZINC001236067130 1099365979 /nfs/dbraw/zinc/36/59/79/1099365979.db2.gz MHUUIHJURKDAMM-AWEZNQCLSA-N 2 1 316.470 3.465 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001236068429 1099367529 /nfs/dbraw/zinc/36/75/29/1099367529.db2.gz SOYFMQDCVDZCFM-INIZCTEOSA-N 2 1 312.413 3.226 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001236068429 1099367539 /nfs/dbraw/zinc/36/75/39/1099367539.db2.gz SOYFMQDCVDZCFM-INIZCTEOSA-N 2 1 312.413 3.226 20 0 DGADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc(Br)ccc23)CCC[NH2+]1 ZINC001236095255 1099384669 /nfs/dbraw/zinc/38/46/69/1099384669.db2.gz PHBLYDZXGJFWHU-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CCC[NH2+]1 ZINC001236095255 1099384678 /nfs/dbraw/zinc/38/46/78/1099384678.db2.gz PHBLYDZXGJFWHU-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC001236098718 1099388961 /nfs/dbraw/zinc/38/89/61/1099388961.db2.gz UKZFNUSZBWMFMS-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3n2CC[NH2+]C3)c(F)c1 ZINC001236128407 1099415736 /nfs/dbraw/zinc/41/57/36/1099415736.db2.gz JYFOEWXUOJUOAF-SFHVURJKSA-N 2 1 317.383 3.207 20 0 DGADMP Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c(F)c1 ZINC001236128407 1099415739 /nfs/dbraw/zinc/41/57/39/1099415739.db2.gz JYFOEWXUOJUOAF-SFHVURJKSA-N 2 1 317.383 3.207 20 0 DGADMP CC[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1cccc(Cl)c1 ZINC001236191708 1099456750 /nfs/dbraw/zinc/45/67/50/1099456750.db2.gz CKFJZXJBBUOYPC-UHFFFAOYSA-N 2 1 303.837 3.267 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc3ccccc3nc2OC)CC1 ZINC001236212615 1099468235 /nfs/dbraw/zinc/46/82/35/1099468235.db2.gz JNQGGNOXZILTFN-UHFFFAOYSA-N 2 1 313.445 3.206 20 0 DGADMP CCc1cc(C[N@@H+](C)C2CCC([NH2+]C)CC2)cc(CC)c1O ZINC001236215761 1099471863 /nfs/dbraw/zinc/47/18/63/1099471863.db2.gz QAFRHQKXKBEIOM-UHFFFAOYSA-N 2 1 304.478 3.479 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215084 1099472822 /nfs/dbraw/zinc/47/28/22/1099472822.db2.gz HFUONXAJTKGSGZ-RDJZCZTQSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215084 1099472827 /nfs/dbraw/zinc/47/28/27/1099472827.db2.gz HFUONXAJTKGSGZ-RDJZCZTQSA-N 2 1 318.852 3.227 20 0 DGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236222661 1099480257 /nfs/dbraw/zinc/48/02/57/1099480257.db2.gz KDFJPSKUYQJVIB-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP [NH3+]C1CCC([N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc2)CC1 ZINC001236227333 1099483675 /nfs/dbraw/zinc/48/36/75/1099483675.db2.gz CFQWDCIHEYBYSG-QHGAOEGBSA-N 3 1 315.505 3.148 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCCC[NH3+] ZINC001236235966 1099489809 /nfs/dbraw/zinc/48/98/09/1099489809.db2.gz HRFGWJMYYVZDQH-XHSDSOJGSA-N 2 1 310.482 3.090 20 0 DGADMP c1ccc2c(c1)C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CCS2 ZINC001236242588 1099497025 /nfs/dbraw/zinc/49/70/25/1099497025.db2.gz YWCXXAHSZHCUID-UHFFFAOYSA-N 2 1 302.487 3.374 20 0 DGADMP CCOC(=O)C[N@@H+](CC1(C)CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC001236266321 1099507994 /nfs/dbraw/zinc/50/79/94/1099507994.db2.gz PRSZIKIHSCQFAN-MRXNPFEDSA-N 2 1 318.461 3.002 20 0 DGADMP CC[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1Cl ZINC001236265630 1099508607 /nfs/dbraw/zinc/50/86/07/1099508607.db2.gz IUSPBCJHZQZZQX-AWEZNQCLSA-N 2 1 317.260 3.194 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1CCCCC[NH3+] ZINC001236273026 1099515581 /nfs/dbraw/zinc/51/55/81/1099515581.db2.gz BXOFIKLFYITYTB-MSOLQXFVSA-N 2 1 318.461 3.274 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314490 1099529168 /nfs/dbraw/zinc/52/91/68/1099529168.db2.gz OTSUEVMVCSKMLA-GASCZTMLSA-N 2 1 312.379 3.179 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316119 1099531133 /nfs/dbraw/zinc/53/11/33/1099531133.db2.gz OZTLWEGQHYTMFK-OKILXGFUSA-N 2 1 301.409 3.047 20 0 DGADMP Fc1ccccc1-c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c[nH]1 ZINC001236320454 1099534213 /nfs/dbraw/zinc/53/42/13/1099534213.db2.gz HGMOUTXOLAWEDC-IYBDPMFKSA-N 2 1 313.420 3.252 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1OC(C)C ZINC001236321844 1099536354 /nfs/dbraw/zinc/53/63/54/1099536354.db2.gz NRTZOXGUCLENLM-CALCHBBNSA-N 2 1 302.462 3.214 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c1)OCO2 ZINC001236373971 1099559169 /nfs/dbraw/zinc/55/91/69/1099559169.db2.gz ATNLIGJTTOIGQT-OAHLLOKOSA-N 2 1 316.445 3.160 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1NCC2 ZINC001236377320 1099563213 /nfs/dbraw/zinc/56/32/13/1099563213.db2.gz ZCCWDCTZJDOQKV-KRWDZBQOSA-N 2 1 313.489 3.399 20 0 DGADMP Cc1cnc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(C)c1 ZINC001236376316 1099563773 /nfs/dbraw/zinc/56/37/73/1099563773.db2.gz RWHXOUMGZQATCT-QGZVFWFLSA-N 2 1 301.478 3.443 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C[C@H]2CCC=CO2)cc1 ZINC001236381633 1099567205 /nfs/dbraw/zinc/56/72/05/1099567205.db2.gz LEKIHDLRQONDQX-LJQANCHMSA-N 2 1 318.436 3.320 20 0 DGADMP CC[N@H+](Cc1cc(Cl)c(OC)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236407764 1099580912 /nfs/dbraw/zinc/58/09/12/1099580912.db2.gz HAHKULVVUAQMQP-NSHDSACASA-N 2 1 317.260 3.433 20 0 DGADMP CCCCOc1ncc(C[N@H+](CC)C[C@H]2CC[NH2+]C2)cc1C ZINC001236409535 1099584622 /nfs/dbraw/zinc/58/46/22/1099584622.db2.gz BJJORDGQEKRMFW-INIZCTEOSA-N 2 1 305.466 3.000 20 0 DGADMP CCCCOc1ncc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1C ZINC001236409535 1099584633 /nfs/dbraw/zinc/58/46/33/1099584633.db2.gz BJJORDGQEKRMFW-INIZCTEOSA-N 2 1 305.466 3.000 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001236413155 1099587491 /nfs/dbraw/zinc/58/74/91/1099587491.db2.gz FBBZVWHEDZRSIA-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001236413155 1099587505 /nfs/dbraw/zinc/58/75/05/1099587505.db2.gz FBBZVWHEDZRSIA-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP Cc1cccc(N(C)c2ccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC001236414586 1099589166 /nfs/dbraw/zinc/58/91/66/1099589166.db2.gz QVIWLNHZAJSBCU-AERCQKQUSA-N 2 1 321.468 3.413 20 0 DGADMP Cc1cccc(N(C)c2ccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC001236414586 1099589175 /nfs/dbraw/zinc/58/91/75/1099589175.db2.gz QVIWLNHZAJSBCU-AERCQKQUSA-N 2 1 321.468 3.413 20 0 DGADMP O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001236433831 1099609316 /nfs/dbraw/zinc/60/93/16/1099609316.db2.gz KTLVDNHBTLPNFV-FQEVSTJZSA-N 2 1 320.436 3.037 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC001236456676 1099620297 /nfs/dbraw/zinc/62/02/97/1099620297.db2.gz DEIGOTPRJGIVLO-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1cccc2nc(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)cn21 ZINC001236457788 1099620414 /nfs/dbraw/zinc/62/04/14/1099620414.db2.gz OEPHZSUEBPMPNM-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP Cc1cccc2nc(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)cn21 ZINC001236457788 1099620421 /nfs/dbraw/zinc/62/04/21/1099620421.db2.gz OEPHZSUEBPMPNM-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP COc1cccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001236457122 1099620463 /nfs/dbraw/zinc/62/04/63/1099620463.db2.gz IZNIYDJUUXWRTE-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP COc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001236457122 1099620467 /nfs/dbraw/zinc/62/04/67/1099620467.db2.gz IZNIYDJUUXWRTE-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP Cc1ccc2ncc(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)n2c1 ZINC001236458627 1099622353 /nfs/dbraw/zinc/62/23/53/1099622353.db2.gz UNQNMDFBORMOGZ-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP Cc1ccc2ncc(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)n2c1 ZINC001236458627 1099622356 /nfs/dbraw/zinc/62/23/56/1099622356.db2.gz UNQNMDFBORMOGZ-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2c(c1)CCN2)C1CC[NH2+]CC1 ZINC001236459530 1099623180 /nfs/dbraw/zinc/62/31/80/1099623180.db2.gz SRXSRKZCEHPJIB-UHFFFAOYSA-N 2 1 301.478 3.255 20 0 DGADMP CCCc1ccc(C[N@H+](CCOCC)C2CC[NH2+]CC2)s1 ZINC001236460834 1099625479 /nfs/dbraw/zinc/62/54/79/1099625479.db2.gz TUAWHVLIMZGTEE-UHFFFAOYSA-N 2 1 310.507 3.291 20 0 DGADMP CCCc1ccc(C[N@@H+](CCOCC)C2CC[NH2+]CC2)s1 ZINC001236460834 1099625486 /nfs/dbraw/zinc/62/54/86/1099625486.db2.gz TUAWHVLIMZGTEE-UHFFFAOYSA-N 2 1 310.507 3.291 20 0 DGADMP CSCCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236488794 1099641795 /nfs/dbraw/zinc/64/17/95/1099641795.db2.gz FECCRNPJRYCFQT-UHFFFAOYSA-N 2 1 310.482 3.441 20 0 DGADMP CSCCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236488794 1099641798 /nfs/dbraw/zinc/64/17/98/1099641798.db2.gz FECCRNPJRYCFQT-UHFFFAOYSA-N 2 1 310.482 3.441 20 0 DGADMP CCC1(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)COC1 ZINC001236509697 1099653389 /nfs/dbraw/zinc/65/33/89/1099653389.db2.gz PHQFXYHZESXPFI-UHFFFAOYSA-N 2 1 320.452 3.115 20 0 DGADMP CCOc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236540975 1099672322 /nfs/dbraw/zinc/67/23/22/1099672322.db2.gz OZTBXHGWBUZXLB-IYARVYRRSA-N 2 1 317.477 3.352 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC[NH+]2CCCCC2)CC2CCC2)CC1 ZINC001236542469 1099673177 /nfs/dbraw/zinc/67/31/77/1099673177.db2.gz XAGBUNQNKUMUFJ-WGSAOQKQSA-N 3 1 307.526 3.234 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](CCCN2CCCCC2)CC2CCC2)CC1 ZINC001236542469 1099673184 /nfs/dbraw/zinc/67/31/84/1099673184.db2.gz XAGBUNQNKUMUFJ-WGSAOQKQSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCN2CCCCC2)CC2CCC2)CC1 ZINC001236542469 1099673189 /nfs/dbraw/zinc/67/31/89/1099673189.db2.gz XAGBUNQNKUMUFJ-WGSAOQKQSA-N 2 1 307.526 3.234 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236551659 1099676995 /nfs/dbraw/zinc/67/69/95/1099676995.db2.gz KQXMEPBSOYEOAK-IYARVYRRSA-N 3 1 307.526 3.090 20 0 DGADMP CN(C)CC1(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236551659 1099676998 /nfs/dbraw/zinc/67/69/98/1099676998.db2.gz KQXMEPBSOYEOAK-IYARVYRRSA-N 2 1 307.526 3.090 20 0 DGADMP CN(C)CC1(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236551659 1099677002 /nfs/dbraw/zinc/67/70/02/1099677002.db2.gz KQXMEPBSOYEOAK-IYARVYRRSA-N 2 1 307.526 3.090 20 0 DGADMP COc1ccc(CC[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551128 1099677016 /nfs/dbraw/zinc/67/70/16/1099677016.db2.gz LYNULOJWXONXGV-IYARVYRRSA-N 2 1 304.478 3.466 20 0 DGADMP CC(C)C[N@@H+](CC1(C[NH+](C)C)CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551649 1099677744 /nfs/dbraw/zinc/67/77/44/1099677744.db2.gz SQXMDOQVFLICDP-IYARVYRRSA-N 3 1 309.542 3.336 20 0 DGADMP CC(C)C[N@H+](CC1(CN(C)C)CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551649 1099677750 /nfs/dbraw/zinc/67/77/50/1099677750.db2.gz SQXMDOQVFLICDP-IYARVYRRSA-N 2 1 309.542 3.336 20 0 DGADMP CC(C)C[N@@H+](CC1(CN(C)C)CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551649 1099677754 /nfs/dbraw/zinc/67/77/54/1099677754.db2.gz SQXMDOQVFLICDP-IYARVYRRSA-N 2 1 309.542 3.336 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236597230 1099693996 /nfs/dbraw/zinc/69/39/96/1099693996.db2.gz ABJOOLMOBPDULC-QGZVFWFLSA-N 2 1 313.489 3.251 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(C)c1C ZINC001236599591 1099695780 /nfs/dbraw/zinc/69/57/80/1099695780.db2.gz TUPZRJKDSKQPOS-MRXNPFEDSA-N 2 1 302.462 3.276 20 0 DGADMP c1ccn(-c2ccccc2C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236602122 1099697865 /nfs/dbraw/zinc/69/78/65/1099697865.db2.gz UEKFBOWDVKEZPT-QGZVFWFLSA-N 2 1 309.457 3.441 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236606943 1099701288 /nfs/dbraw/zinc/70/12/88/1099701288.db2.gz YNYOPBROYWAYBR-MRXNPFEDSA-N 2 1 302.462 3.276 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236606943 1099701296 /nfs/dbraw/zinc/70/12/96/1099701296.db2.gz YNYOPBROYWAYBR-MRXNPFEDSA-N 2 1 302.462 3.276 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236646231 1099720022 /nfs/dbraw/zinc/72/00/22/1099720022.db2.gz FLNDLWDGTRJDKI-UHFFFAOYSA-N 2 1 306.425 3.249 20 0 DGADMP COc1cc(F)c(C)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236646231 1099720028 /nfs/dbraw/zinc/72/00/28/1099720028.db2.gz FLNDLWDGTRJDKI-UHFFFAOYSA-N 2 1 306.425 3.249 20 0 DGADMP COc1ccc2sc(C[N@@H+](C)C3CCN(C)CC3)cc2c1 ZINC001236657784 1099728313 /nfs/dbraw/zinc/72/83/13/1099728313.db2.gz HSCFOYTWEOZQNO-UHFFFAOYSA-N 2 1 304.459 3.436 20 0 DGADMP COc1ccc2sc(C[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC001236657784 1099728322 /nfs/dbraw/zinc/72/83/22/1099728322.db2.gz HSCFOYTWEOZQNO-UHFFFAOYSA-N 2 1 304.459 3.436 20 0 DGADMP COc1ccc2sc(C[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC001236657784 1099728330 /nfs/dbraw/zinc/72/83/30/1099728330.db2.gz HSCFOYTWEOZQNO-UHFFFAOYSA-N 2 1 304.459 3.436 20 0 DGADMP CCC1(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)COC1 ZINC001236714359 1099755683 /nfs/dbraw/zinc/75/56/83/1099755683.db2.gz NHGMVOVEPWNZFV-WGSAOQKQSA-N 2 1 316.489 3.494 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@H]12 ZINC001236822070 1099808240 /nfs/dbraw/zinc/80/82/40/1099808240.db2.gz XZXQOZFAPVMDFA-CWRNSKLLSA-N 2 1 323.278 3.051 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@@H]12 ZINC001236828384 1099810506 /nfs/dbraw/zinc/81/05/06/1099810506.db2.gz IJZXBQUMHQBRBT-CWFSZBLJSA-N 2 1 324.424 3.354 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236827487 1099811397 /nfs/dbraw/zinc/81/13/97/1099811397.db2.gz GFFOPBCYQBGSHF-VBNZEHGJSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001236829497 1099815405 /nfs/dbraw/zinc/81/54/05/1099815405.db2.gz KTWNAZJFSQBFEX-CFVMTHIKSA-N 2 1 314.351 3.063 20 0 DGADMP CCCCOc1ncc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)cc1C ZINC001236844781 1099829068 /nfs/dbraw/zinc/82/90/68/1099829068.db2.gz VQCLBNMADJOWOE-KRWDZBQOSA-N 2 1 319.493 3.390 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCCC[C@@](C)(F)C3)c2)CC1 ZINC001236888003 1099853425 /nfs/dbraw/zinc/85/34/25/1099853425.db2.gz SNUNHXHLTRZNFW-LJQANCHMSA-N 2 1 319.468 3.153 20 0 DGADMP Cc1cccc2c1C[N@@H+](Cc1cccc(N3CC[NH+](C)CC3)c1)C2 ZINC001236887502 1099853734 /nfs/dbraw/zinc/85/37/34/1099853734.db2.gz LWSAAQDKHIQBQS-UHFFFAOYSA-N 2 1 321.468 3.263 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)c2)CC1 ZINC001236888225 1099853931 /nfs/dbraw/zinc/85/39/31/1099853931.db2.gz AAHWUEYCOSAYGM-QUCCMNQESA-N 2 1 313.489 3.203 20 0 DGADMP CC[N@H+]1CCCN(Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001236914096 1099873452 /nfs/dbraw/zinc/87/34/52/1099873452.db2.gz PZAPODOMIIPYJP-UHFFFAOYSA-N 2 1 318.852 3.053 20 0 DGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236914592 1099873634 /nfs/dbraw/zinc/87/36/34/1099873634.db2.gz YPYYGVFWFPPSFL-OAHLLOKOSA-N 2 1 305.809 3.137 20 0 DGADMP CO[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236914592 1099873643 /nfs/dbraw/zinc/87/36/43/1099873643.db2.gz YPYYGVFWFPPSFL-OAHLLOKOSA-N 2 1 305.809 3.137 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCCO1 ZINC001236913056 1099874374 /nfs/dbraw/zinc/87/43/74/1099874374.db2.gz IADQBLALBLQHRH-ZDUSSCGKSA-N 2 1 305.809 3.137 20 0 DGADMP C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2Cl)CCCO1 ZINC001236913056 1099874383 /nfs/dbraw/zinc/87/43/83/1099874383.db2.gz IADQBLALBLQHRH-ZDUSSCGKSA-N 2 1 305.809 3.137 20 0 DGADMP CC[N@H+]1CCN(Cc2ccc(-n3ccnc3)cc2Cl)[C@H](C)C1 ZINC001236926277 1099879553 /nfs/dbraw/zinc/87/95/53/1099879553.db2.gz DUSYAWXCZLLRPF-CQSZACIVSA-N 2 1 318.852 3.052 20 0 DGADMP c1cc2n(c1C[N@@H+]1CCC[C@@H](CCc3ccccc3)C1)CC[NH2+]C2 ZINC001236948396 1099887103 /nfs/dbraw/zinc/88/71/03/1099887103.db2.gz DMDUAUQPPPINLD-IBGZPJMESA-N 2 1 323.484 3.436 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(F)c(N2CCN(C)CC2)c1 ZINC001236965498 1099893502 /nfs/dbraw/zinc/89/35/02/1099893502.db2.gz CSOIUAARGQNQLW-IYBDPMFKSA-N 2 1 319.468 3.340 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965498 1099893508 /nfs/dbraw/zinc/89/35/08/1099893508.db2.gz CSOIUAARGQNQLW-IYBDPMFKSA-N 2 1 319.468 3.340 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965498 1099893514 /nfs/dbraw/zinc/89/35/14/1099893514.db2.gz CSOIUAARGQNQLW-IYBDPMFKSA-N 2 1 319.468 3.340 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC[C@@H]1CCCC[NH2+]1 ZINC001237001546 1099922841 /nfs/dbraw/zinc/92/28/41/1099922841.db2.gz XRHKWGHDIUBEPY-GGPKGHCWSA-N 2 1 315.505 3.113 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC001237042143 1099939898 /nfs/dbraw/zinc/93/98/98/1099939898.db2.gz KIYLTMSOZDEUDF-QGZVFWFLSA-N 2 1 304.434 3.129 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001237044525 1099942273 /nfs/dbraw/zinc/94/22/73/1099942273.db2.gz XECQQRHDOGMTMC-IBGZPJMESA-N 2 1 324.424 3.269 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(CCC[NH+](C)C)[C@@H]2C1 ZINC001278048705 1099954722 /nfs/dbraw/zinc/95/47/22/1099954722.db2.gz AKAVXIYQNCRWOX-GBESFXJTSA-N 2 1 309.542 3.161 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc2c(OC)cccc12 ZINC001237122818 1099982136 /nfs/dbraw/zinc/98/21/36/1099982136.db2.gz PINUZLKSHNDDCS-UHFFFAOYSA-N 2 1 315.461 3.407 20 0 DGADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@]2(C1)CNCCO2 ZINC001237144098 1099994025 /nfs/dbraw/zinc/99/40/25/1099994025.db2.gz IXUTWLYDQMKOOU-HXUWFJFHSA-N 2 1 314.473 3.299 20 0 DGADMP c1cc(C2CCCCC2)ccc1CN1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237144098 1099994034 /nfs/dbraw/zinc/99/40/34/1099994034.db2.gz IXUTWLYDQMKOOU-HXUWFJFHSA-N 2 1 314.473 3.299 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@]2(C1)CNCCO2 ZINC001237143824 1099994485 /nfs/dbraw/zinc/99/44/85/1099994485.db2.gz SHLAMDNBEVOOCG-OAQYLSRUSA-N 2 1 322.452 3.226 20 0 DGADMP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC001237264419 1100050367 /nfs/dbraw/zinc/05/03/67/1100050367.db2.gz HGEKVNCXLMCVGE-RDJZCZTQSA-N 2 1 302.462 3.263 20 0 DGADMP COc1ccc(CC[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237300505 1100068389 /nfs/dbraw/zinc/06/83/89/1100068389.db2.gz MXHWLGACMKKJOS-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP COc1ccc(CC[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237300505 1100068396 /nfs/dbraw/zinc/06/83/96/1100068396.db2.gz MXHWLGACMKKJOS-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001237350255 1100088377 /nfs/dbraw/zinc/08/83/77/1100088377.db2.gz KZCRQRKKOYPZBZ-UHFFFAOYSA-N 2 1 323.912 3.026 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237379398 1100098401 /nfs/dbraw/zinc/09/84/01/1100098401.db2.gz BCTSARPAWSSRHO-HOCLYGCPSA-N 2 1 312.379 3.322 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237383910 1100102935 /nfs/dbraw/zinc/10/29/35/1100102935.db2.gz SNQHPIIFZGXZHZ-UYAOXDASSA-N 2 1 310.441 3.422 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237384111 1100103106 /nfs/dbraw/zinc/10/31/06/1100103106.db2.gz UKZNLFQMNMLGTQ-VQIMIIECSA-N 2 1 310.441 3.422 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)F ZINC001237409838 1100116256 /nfs/dbraw/zinc/11/62/56/1100116256.db2.gz BUFPAUMPYPWRHD-DZGCQCFKSA-N 2 1 310.388 3.207 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)F ZINC001237409838 1100116261 /nfs/dbraw/zinc/11/62/61/1100116261.db2.gz BUFPAUMPYPWRHD-DZGCQCFKSA-N 2 1 310.388 3.207 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237417522 1100119220 /nfs/dbraw/zinc/11/92/20/1100119220.db2.gz SOYMWNGFSHWJFG-XLIONFOSSA-N 2 1 323.440 3.448 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237417522 1100119225 /nfs/dbraw/zinc/11/92/25/1100119225.db2.gz SOYMWNGFSHWJFG-XLIONFOSSA-N 2 1 323.440 3.448 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415260 1100120188 /nfs/dbraw/zinc/12/01/88/1100120188.db2.gz PORPXWDHKPMZLE-APWZRJJASA-N 2 1 302.462 3.356 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415260 1100120191 /nfs/dbraw/zinc/12/01/91/1100120191.db2.gz PORPXWDHKPMZLE-APWZRJJASA-N 2 1 302.462 3.356 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]2C1 ZINC001237664854 1100207988 /nfs/dbraw/zinc/20/79/88/1100207988.db2.gz AYZHRQRNOLZHJN-BGYRXZFFSA-N 2 1 322.452 3.443 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]2C1 ZINC001237664854 1100207994 /nfs/dbraw/zinc/20/79/94/1100207994.db2.gz AYZHRQRNOLZHJN-BGYRXZFFSA-N 2 1 322.452 3.443 20 0 DGADMP C(C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1)N1CCCCC1 ZINC001278153875 1100267404 /nfs/dbraw/zinc/26/74/04/1100267404.db2.gz KKKNHHVROSKKIR-KDURUIRLSA-N 2 1 319.537 3.059 20 0 DGADMP C(C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1)N1CCCCC1 ZINC001278153875 1100267409 /nfs/dbraw/zinc/26/74/09/1100267409.db2.gz KKKNHHVROSKKIR-KDURUIRLSA-N 2 1 319.537 3.059 20 0 DGADMP C(C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1)N1CCCCC1 ZINC001278153875 1100267413 /nfs/dbraw/zinc/26/74/13/1100267413.db2.gz KKKNHHVROSKKIR-KDURUIRLSA-N 2 1 319.537 3.059 20 0 DGADMP C(CN1CCCCC1)[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001278154253 1100267869 /nfs/dbraw/zinc/26/78/69/1100267869.db2.gz OTEIJRDYSOUQIX-VQTJNVASSA-N 2 1 319.537 3.440 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](CO)CC[C@@H]3C)cc21 ZINC001237880756 1100280174 /nfs/dbraw/zinc/28/01/74/1100280174.db2.gz JZLNSINHIGAROI-DOTOQJQBSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CC4(CSC4)C3)cc21 ZINC001237888406 1100284254 /nfs/dbraw/zinc/28/42/54/1100284254.db2.gz DAOJXQRIXSYLGA-UHFFFAOYSA-N 2 1 300.471 3.237 20 0 DGADMP Cc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cccc2n1 ZINC001278173981 1100317325 /nfs/dbraw/zinc/31/73/25/1100317325.db2.gz UWOLOXLLUACWLM-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001278173981 1100317336 /nfs/dbraw/zinc/31/73/36/1100317336.db2.gz UWOLOXLLUACWLM-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001278173981 1100317345 /nfs/dbraw/zinc/31/73/45/1100317345.db2.gz UWOLOXLLUACWLM-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cccc2n1 ZINC001278173982 1100318105 /nfs/dbraw/zinc/31/81/05/1100318105.db2.gz UWOLOXLLUACWLM-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001278173982 1100318113 /nfs/dbraw/zinc/31/81/13/1100318113.db2.gz UWOLOXLLUACWLM-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001278173982 1100318124 /nfs/dbraw/zinc/31/81/24/1100318124.db2.gz UWOLOXLLUACWLM-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)[C@H](O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001190790719 1100339306 /nfs/dbraw/zinc/33/93/06/1100339306.db2.gz CZDTYIFBQZTMNG-HXUWFJFHSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238105935 1100362117 /nfs/dbraw/zinc/36/21/17/1100362117.db2.gz GOPHWPHEVXHVEL-UHFFFAOYSA-N 2 1 309.413 3.107 20 0 DGADMP Cc1ccc(O)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001238106285 1100363048 /nfs/dbraw/zinc/36/30/48/1100363048.db2.gz IOIDPTBFESVYAA-PMACEKPBSA-N 2 1 322.452 3.264 20 0 DGADMP c1[nH+]cn2c1cccc2CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001238113268 1100363854 /nfs/dbraw/zinc/36/38/54/1100363854.db2.gz INKVMRZTJWQRIB-UHFFFAOYSA-N 2 1 320.440 3.042 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213759 1100395655 /nfs/dbraw/zinc/39/56/55/1100395655.db2.gz NVBFRJADRYOHFU-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3([C@@H]4CCCCO4)CCC3)CC[C@@H]21 ZINC001191521145 1100477343 /nfs/dbraw/zinc/47/73/43/1100477343.db2.gz MYLPGIIZIGWXQJ-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001238674726 1100498021 /nfs/dbraw/zinc/49/80/21/1100498021.db2.gz WHIQOUSMYWYWJX-YLJYHZDGSA-N 2 1 316.489 3.474 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001238674726 1100498025 /nfs/dbraw/zinc/49/80/25/1100498025.db2.gz WHIQOUSMYWYWJX-YLJYHZDGSA-N 2 1 316.489 3.474 20 0 DGADMP Cc1nc2cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc2s1 ZINC001205579573 1100572993 /nfs/dbraw/zinc/57/29/93/1100572993.db2.gz OAVPIMJMSGQNDM-INIZCTEOSA-N 2 1 307.438 3.258 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1([C@@H]2CCCCO2)CCC1 ZINC001192348843 1100608313 /nfs/dbraw/zinc/60/83/13/1100608313.db2.gz MLOMHDWTABROAP-KRWDZBQOSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1([C@@H]2CCCCO2)CCC1 ZINC001192348843 1100608315 /nfs/dbraw/zinc/60/83/15/1100608315.db2.gz MLOMHDWTABROAP-KRWDZBQOSA-N 2 1 305.466 3.253 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205605117 1100654569 /nfs/dbraw/zinc/65/45/69/1100654569.db2.gz ZDXCKFNAVWULKV-OCCSQVGLSA-N 2 1 311.267 3.256 20 0 DGADMP COc1c(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205626966 1100726176 /nfs/dbraw/zinc/72/61/76/1100726176.db2.gz LAGGTMMLZMVCHJ-DGCLKSJQSA-N 2 1 314.832 3.295 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205638120 1100765187 /nfs/dbraw/zinc/76/51/87/1100765187.db2.gz LMVMHKRMRBVJPJ-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP CC(C)Oc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001239960833 1100813245 /nfs/dbraw/zinc/81/32/45/1100813245.db2.gz YMMCLUXNFHORQV-UHFFFAOYSA-N 2 1 307.397 3.475 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001193849839 1100827266 /nfs/dbraw/zinc/82/72/66/1100827266.db2.gz SUIDESNUHTTYCX-GOSISDBHSA-N 2 1 304.478 3.257 20 0 DGADMP C[N@H+]1CCc2ncnc(-c3ccc(C[NH2+]C(C)(C)C)cc3)c2C1 ZINC001240368053 1100963527 /nfs/dbraw/zinc/96/35/27/1100963527.db2.gz OELYJUDAXOXSIT-UHFFFAOYSA-N 2 1 310.445 3.020 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3ccc4c(c3)[C@@H]([NH3+])CC4)cc2)CC1 ZINC001240415373 1100985865 /nfs/dbraw/zinc/98/58/65/1100985865.db2.gz QPGCLPGTCATCCW-NRFANRHFSA-N 2 1 321.468 3.047 20 0 DGADMP c1ccc(C[N@H+]2CCc3c(ccnc3C3=CC[NH2+]CC3)C2)cc1 ZINC001240465639 1101009782 /nfs/dbraw/zinc/00/97/82/1101009782.db2.gz FTKCWGMNAXPVJQ-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP [NH3+]C1(c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001240477863 1101015870 /nfs/dbraw/zinc/01/58/70/1101015870.db2.gz YXKMJZQYTDUBPE-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP c1cc2c(c(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)[nH+]1)CCN2 ZINC001240852779 1101157327 /nfs/dbraw/zinc/15/73/27/1101157327.db2.gz QDDCTGCHAZJWRV-UHFFFAOYSA-N 2 1 321.424 3.038 20 0 DGADMP CCOc1cc(F)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241319713 1101372888 /nfs/dbraw/zinc/37/28/88/1101372888.db2.gz QDDBNHKIVJMZFY-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCC(=O)OC(C)(C)C ZINC001197284432 1101530712 /nfs/dbraw/zinc/53/07/12/1101530712.db2.gz IXLKTNKGTDTEER-UHFFFAOYSA-N 2 1 312.498 3.306 20 0 DGADMP CC(C)Oc1cncc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001278332660 1101576145 /nfs/dbraw/zinc/57/61/45/1101576145.db2.gz RSEAORSFSSXBKS-UHFFFAOYSA-N 2 1 317.477 3.177 20 0 DGADMP CCCCOCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591375 1101610794 /nfs/dbraw/zinc/61/07/94/1101610794.db2.gz YDDKKTSIJMTCQP-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591375 1101610800 /nfs/dbraw/zinc/61/08/00/1101610800.db2.gz YDDKKTSIJMTCQP-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591375 1101610805 /nfs/dbraw/zinc/61/08/05/1101610805.db2.gz YDDKKTSIJMTCQP-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591375 1101610812 /nfs/dbraw/zinc/61/08/12/1101610812.db2.gz YDDKKTSIJMTCQP-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+]1CCN(c2ccc(-c3c[nH+]c(C)cc3OC)cc2)CC1 ZINC001241743556 1101675383 /nfs/dbraw/zinc/67/53/83/1101675383.db2.gz DOHJYVOIEGMMOL-UHFFFAOYSA-N 2 1 311.429 3.208 20 0 DGADMP Cc1[nH+]c(-c2cccc(C[NH+]3CCOCC3)c2)cc2[nH]ccc21 ZINC001241814990 1101718586 /nfs/dbraw/zinc/71/85/86/1101718586.db2.gz CRROOKBVQYQTFE-UHFFFAOYSA-N 2 1 307.397 3.371 20 0 DGADMP COc1cc(Cl)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241896258 1101770833 /nfs/dbraw/zinc/77/08/33/1101770833.db2.gz KBKWILMSINXTQD-UHFFFAOYSA-N 2 1 313.788 3.350 20 0 DGADMP C[N@H+]1CCc2cc(-c3ccccc3C[NH+]3CCOCC3)ccc2C1 ZINC001241996067 1101845996 /nfs/dbraw/zinc/84/59/96/1101845996.db2.gz VDWWKIFRXMMYPR-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP C[N@@H+]1CCc2ccc(-c3ccccc3C[NH+]3CCOCC3)cc2C1 ZINC001242000867 1101849005 /nfs/dbraw/zinc/84/90/05/1101849005.db2.gz SAVSLXFQRRGQKG-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP C[N@H+]1CCc2ccc(-c3ccccc3C[NH+]3CCOCC3)cc2C1 ZINC001242000867 1101849018 /nfs/dbraw/zinc/84/90/18/1101849018.db2.gz SAVSLXFQRRGQKG-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC001242117489 1101919287 /nfs/dbraw/zinc/91/92/87/1101919287.db2.gz MAKCQIIYUOZAEF-UHFFFAOYSA-N 2 1 319.412 3.234 20 0 DGADMP C[NH+](C)CCC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001198935489 1102028062 /nfs/dbraw/zinc/02/80/62/1102028062.db2.gz YFCSKJRKYMTJRM-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1ccc(OC(F)F)c(F)c1 ZINC001199209258 1102084438 /nfs/dbraw/zinc/08/44/38/1102084438.db2.gz ZGDYQFQGZSHTRG-UHFFFAOYSA-N 2 1 304.356 3.247 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC001199209258 1102084453 /nfs/dbraw/zinc/08/44/53/1102084453.db2.gz ZGDYQFQGZSHTRG-UHFFFAOYSA-N 2 1 304.356 3.247 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC001199209258 1102084469 /nfs/dbraw/zinc/08/44/69/1102084469.db2.gz ZGDYQFQGZSHTRG-UHFFFAOYSA-N 2 1 304.356 3.247 20 0 DGADMP c1cc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cnc2s1 ZINC001242682086 1102284810 /nfs/dbraw/zinc/28/48/10/1102284810.db2.gz VAGOMPQOEZVAAM-UHFFFAOYSA-N 2 1 306.394 3.298 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904906 1102464159 /nfs/dbraw/zinc/46/41/59/1102464159.db2.gz YHVBTWWUURMURG-IAGOWNOFSA-N 2 1 312.498 3.339 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904905 1102464561 /nfs/dbraw/zinc/46/45/61/1102464561.db2.gz YHVBTWWUURMURG-DLBZAZTESA-N 2 1 312.498 3.339 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC001200989516 1102465700 /nfs/dbraw/zinc/46/57/00/1102465700.db2.gz ODRHIXJVNPJKQB-DSJDWBEOSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913447 1102514721 /nfs/dbraw/zinc/51/47/21/1102514721.db2.gz IJFBRVWACPBAAD-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913447 1102514724 /nfs/dbraw/zinc/51/47/24/1102514724.db2.gz IJFBRVWACPBAAD-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915287 1102547749 /nfs/dbraw/zinc/54/77/49/1102547749.db2.gz PAWLPKPQXRCJEN-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915287 1102547759 /nfs/dbraw/zinc/54/77/59/1102547759.db2.gz PAWLPKPQXRCJEN-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201503843 1102616196 /nfs/dbraw/zinc/61/61/96/1102616196.db2.gz SGCYIDCXEWMZRA-MRXNPFEDSA-N 2 1 322.518 3.461 20 0 DGADMP Cn1c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc2ccccc21 ZINC001243353026 1102676706 /nfs/dbraw/zinc/67/67/06/1102676706.db2.gz RLXOIMDQNBWCEK-UHFFFAOYSA-N 2 1 302.381 3.180 20 0 DGADMP CCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201707118 1102695371 /nfs/dbraw/zinc/69/53/71/1102695371.db2.gz VUHDQXYRKSTUEG-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP CCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201707118 1102695379 /nfs/dbraw/zinc/69/53/79/1102695379.db2.gz VUHDQXYRKSTUEG-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP CCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201707118 1102695387 /nfs/dbraw/zinc/69/53/87/1102695387.db2.gz VUHDQXYRKSTUEG-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP CCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201706153 1102696577 /nfs/dbraw/zinc/69/65/77/1102696577.db2.gz LADTZPQSEAKOGS-INIZCTEOSA-N 2 1 306.450 3.135 20 0 DGADMP CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713314 1102698663 /nfs/dbraw/zinc/69/86/63/1102698663.db2.gz BAWLFWOEZXQORH-QXAKKESOSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713314 1102698666 /nfs/dbraw/zinc/69/86/66/1102698666.db2.gz BAWLFWOEZXQORH-QXAKKESOSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713314 1102698674 /nfs/dbraw/zinc/69/86/74/1102698674.db2.gz BAWLFWOEZXQORH-QXAKKESOSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713314 1102698680 /nfs/dbraw/zinc/69/86/80/1102698680.db2.gz BAWLFWOEZXQORH-QXAKKESOSA-N 2 1 301.478 3.414 20 0 DGADMP CCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001201735491 1102725846 /nfs/dbraw/zinc/72/58/46/1102725846.db2.gz SXRVSKFRGRUFOX-UHFFFAOYSA-N 2 1 304.482 3.041 20 0 DGADMP CCCCC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001201735491 1102725859 /nfs/dbraw/zinc/72/58/59/1102725859.db2.gz SXRVSKFRGRUFOX-UHFFFAOYSA-N 2 1 304.482 3.041 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001201946439 1102766688 /nfs/dbraw/zinc/76/66/88/1102766688.db2.gz CKWPLFRLGRCHPG-ZIAGYGMSSA-N 2 1 307.507 3.448 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001201946439 1102766699 /nfs/dbraw/zinc/76/66/99/1102766699.db2.gz CKWPLFRLGRCHPG-ZIAGYGMSSA-N 2 1 307.507 3.448 20 0 DGADMP CC[NH+](CC)Cc1cccc(-c2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001243641012 1102878924 /nfs/dbraw/zinc/87/89/24/1102878924.db2.gz VRYPCRVCGTYRJB-UHFFFAOYSA-N 2 1 324.468 3.372 20 0 DGADMP C(=C/C1CC[NH2+]CC1)\c1ccc([C@H]2CN3CCSC3=[NH+]2)cc1 ZINC001243895739 1103036716 /nfs/dbraw/zinc/03/67/16/1103036716.db2.gz GMIWNNJHWWFKQL-WZHGYECESA-N 2 1 313.470 3.159 20 0 DGADMP CCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(OC)c1 ZINC001244000954 1103120482 /nfs/dbraw/zinc/12/04/82/1103120482.db2.gz ZZFRJBKVQLADFG-UHFFFAOYSA-N 2 1 323.396 3.095 20 0 DGADMP Cc1cc(C2CC2)cc(F)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001244127046 1103228647 /nfs/dbraw/zinc/22/86/47/1103228647.db2.gz JVZIDZQIFMJQGO-UHFFFAOYSA-N 2 1 311.404 3.483 20 0 DGADMP Cc1ncc(C2CC2)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244140014 1103231504 /nfs/dbraw/zinc/23/15/04/1103231504.db2.gz SVQRRSSOSVDPRU-UHFFFAOYSA-N 2 1 304.397 3.269 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198945 1103233263 /nfs/dbraw/zinc/23/32/63/1103233263.db2.gz FVDPFBQQQDJFKZ-PMACEKPBSA-N 2 1 324.472 3.194 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198945 1103233274 /nfs/dbraw/zinc/23/32/74/1103233274.db2.gz FVDPFBQQQDJFKZ-PMACEKPBSA-N 2 1 324.472 3.194 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2sc(N3CCCCC3)nc2C)CC[C@H]1[NH3+] ZINC001326502473 1103344800 /nfs/dbraw/zinc/34/48/00/1103344800.db2.gz MGTRBHUNNCHWNB-LSDHHAIUSA-N 2 1 322.522 3.001 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC ZINC001326517635 1103351254 /nfs/dbraw/zinc/35/12/54/1103351254.db2.gz HOYYEQBKRYQUCK-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(OCC[NH3+])c2)nc1 ZINC001244323491 1103361977 /nfs/dbraw/zinc/36/19/77/1103361977.db2.gz KEBYILDNCPXWIT-LJQANCHMSA-N 2 1 311.429 3.243 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001206607198 1103398911 /nfs/dbraw/zinc/39/89/11/1103398911.db2.gz XQIAVLQSZCOKBS-AWEZNQCLSA-N 2 1 300.368 3.309 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001206607199 1103399154 /nfs/dbraw/zinc/39/91/54/1103399154.db2.gz XQIAVLQSZCOKBS-CQSZACIVSA-N 2 1 300.368 3.309 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001327089682 1103516327 /nfs/dbraw/zinc/51/63/27/1103516327.db2.gz MDCUTRMCKNWBSU-UHFFFAOYSA-N 2 1 320.502 3.253 20 0 DGADMP c1nc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)n2ccccc12 ZINC001276349275 1103522395 /nfs/dbraw/zinc/52/23/95/1103522395.db2.gz XFCKNIDPIMKSKI-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP c1[nH+]c(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)n2ccccc12 ZINC001276349275 1103522404 /nfs/dbraw/zinc/52/24/04/1103522404.db2.gz XFCKNIDPIMKSKI-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)c(F)cc3F)CC2)C1 ZINC001276363685 1103541230 /nfs/dbraw/zinc/54/12/30/1103541230.db2.gz PKNJLQFPSPMBOG-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(F)c(F)cc3F)CC2)C1 ZINC001276363685 1103541239 /nfs/dbraw/zinc/54/12/39/1103541239.db2.gz PKNJLQFPSPMBOG-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP c1csc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)co2)c1 ZINC001327207208 1103584832 /nfs/dbraw/zinc/58/48/32/1103584832.db2.gz WLKAESDMJIRAIN-UHFFFAOYSA-N 2 1 317.458 3.369 20 0 DGADMP CCCOc1ncccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276367432 1103658046 /nfs/dbraw/zinc/65/80/46/1103658046.db2.gz CWCPAMCVWPKIJJ-UHFFFAOYSA-N 2 1 317.477 3.178 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccnc(C(F)F)c3)CC2)C1 ZINC001276376969 1103697942 /nfs/dbraw/zinc/69/79/42/1103697942.db2.gz GZPHTUOMOCSIBF-UHFFFAOYSA-N 2 1 309.404 3.327 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC001327772124 1103722871 /nfs/dbraw/zinc/72/28/71/1103722871.db2.gz IJQYFDFLWGUSPL-UHFFFAOYSA-N 2 1 310.445 3.453 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001328266279 1103894652 /nfs/dbraw/zinc/89/46/52/1103894652.db2.gz HZWJDPSNVIZYQF-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2nccnc2c1 ZINC001137089818 1103972657 /nfs/dbraw/zinc/97/26/57/1103972657.db2.gz ACMLEXRXOHXMLC-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2nccnc2c1 ZINC001137089818 1103972667 /nfs/dbraw/zinc/97/26/67/1103972667.db2.gz ACMLEXRXOHXMLC-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC001137089818 1103972674 /nfs/dbraw/zinc/97/26/74/1103972674.db2.gz ACMLEXRXOHXMLC-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP Cc1[nH+]ccn1-c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)ncn1 ZINC001245347470 1103997505 /nfs/dbraw/zinc/99/75/05/1103997505.db2.gz SMPFZSQGNBPXMC-MRXNPFEDSA-N 2 1 305.385 3.062 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202599071 1104071858 /nfs/dbraw/zinc/07/18/58/1104071858.db2.gz ZHCHSTCVAIFOMD-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202599071 1104071865 /nfs/dbraw/zinc/07/18/65/1104071865.db2.gz ZHCHSTCVAIFOMD-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)C3CC3)cc2)c2ccccc21 ZINC001329025295 1104127167 /nfs/dbraw/zinc/12/71/67/1104127167.db2.gz UVDWTAOTKJGGRY-RTBURBONSA-N 2 1 321.424 3.270 20 0 DGADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157178 1104173294 /nfs/dbraw/zinc/17/32/94/1104173294.db2.gz VMITUHZMHOBVCD-FGTMMUONSA-N 2 1 319.468 3.033 20 0 DGADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001246023822 1104355559 /nfs/dbraw/zinc/35/55/59/1104355559.db2.gz UEZVKSLXSJVUFK-PCCBWWKXSA-N 2 1 324.468 3.145 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246092566 1104380063 /nfs/dbraw/zinc/38/00/63/1104380063.db2.gz DPONJRFUOHKGAN-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP CCCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001274345320 1104360323 /nfs/dbraw/zinc/36/03/23/1104360323.db2.gz SCLYOKONFQMXDG-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246057139 1104362688 /nfs/dbraw/zinc/36/26/88/1104362688.db2.gz WZRYDFVMRIMRMP-IBGZPJMESA-N 2 1 322.468 3.239 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067231 1104365796 /nfs/dbraw/zinc/36/57/96/1104365796.db2.gz OBMITVJPVXCSEZ-GUDVDZBRSA-N 2 1 304.478 3.310 20 0 DGADMP CCCC[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074744 1104369399 /nfs/dbraw/zinc/36/93/99/1104369399.db2.gz QEIPEVCUDUIORD-XUVXKRRUSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074744 1104369410 /nfs/dbraw/zinc/36/94/10/1104369410.db2.gz QEIPEVCUDUIORD-XUVXKRRUSA-N 2 1 315.505 3.161 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246074770 1104369464 /nfs/dbraw/zinc/36/94/64/1104369464.db2.gz QIKHRNGMDCQUFU-MRXNPFEDSA-N 2 1 318.461 3.248 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)C[NH2+]1 ZINC001246074924 1104370177 /nfs/dbraw/zinc/37/01/77/1104370177.db2.gz GHEXQTPUOUSCDY-NXWXRZEISA-N 2 1 302.462 3.245 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)CC[NH2+]1 ZINC001246077871 1104372021 /nfs/dbraw/zinc/37/20/21/1104372021.db2.gz XEIFBGMINHSDND-YPMHNXCESA-N 2 1 317.296 3.377 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246082023 1104376934 /nfs/dbraw/zinc/37/69/34/1104376934.db2.gz UXMSFQOHRCIFLI-MHORFTMASA-N 2 1 318.461 3.190 20 0 DGADMP [NH3+]CC1CCC([NH2+]CC(F)(F)c2ccc(F)cc2F)CC1 ZINC001329743551 1104377072 /nfs/dbraw/zinc/37/70/72/1104377072.db2.gz RFPDFOYCEKFZQB-UHFFFAOYSA-N 2 1 304.331 3.164 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246092657 1104382933 /nfs/dbraw/zinc/38/29/33/1104382933.db2.gz UCCLGQGGHUHOHF-HNJRGHQBSA-N 2 1 315.505 3.160 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246110278 1104389937 /nfs/dbraw/zinc/38/99/37/1104389937.db2.gz HZYLFYQITVTFQC-WDSOQIARSA-N 2 1 319.468 3.049 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246113049 1104391475 /nfs/dbraw/zinc/39/14/75/1104391475.db2.gz WVXXMTOGWYDGPU-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246130288 1104400261 /nfs/dbraw/zinc/40/02/61/1104400261.db2.gz GXIRRFOWRBFXMS-UHOFOFEASA-N 2 1 323.278 3.254 20 0 DGADMP CCC(C)(C)C1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OC)CC1 ZINC001246149172 1104407356 /nfs/dbraw/zinc/40/73/56/1104407356.db2.gz AHCPOINDYHRKTQ-GPANFISMSA-N 2 1 312.498 3.242 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246150687 1104407526 /nfs/dbraw/zinc/40/75/26/1104407526.db2.gz GNKPXLNZFHBCAQ-MSOLQXFVSA-N 2 1 320.477 3.048 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160719 1104412009 /nfs/dbraw/zinc/41/20/09/1104412009.db2.gz PCJOMRWJNQBUSZ-YZGWKJHDSA-N 2 1 316.489 3.207 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246163217 1104412118 /nfs/dbraw/zinc/41/21/18/1104412118.db2.gz YBDYHRSDUOCLDQ-WOJBJXKFSA-N 2 1 317.521 3.061 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246163187 1104412308 /nfs/dbraw/zinc/41/23/08/1104412308.db2.gz XQNMZMKXNUBSMO-GOSISDBHSA-N 3 1 307.526 3.153 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246165540 1104414004 /nfs/dbraw/zinc/41/40/04/1104414004.db2.gz JCZRXDOUJYGTEK-HNAYVOBHSA-N 2 1 308.425 3.148 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246169695 1104417599 /nfs/dbraw/zinc/41/75/99/1104417599.db2.gz JDTDTHIGGDXIOA-PKOBYXMFSA-N 2 1 321.484 3.249 20 0 DGADMP CC(C)[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178275 1104423955 /nfs/dbraw/zinc/42/39/55/1104423955.db2.gz WOFJNYSGZSLRJJ-AABGKKOBSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178275 1104423956 /nfs/dbraw/zinc/42/39/56/1104423956.db2.gz WOFJNYSGZSLRJJ-AABGKKOBSA-N 2 1 315.505 3.017 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001274623918 1104426003 /nfs/dbraw/zinc/42/60/03/1104426003.db2.gz NYJIUOPZYOICFA-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246187398 1104428120 /nfs/dbraw/zinc/42/81/20/1104428120.db2.gz ZPBFZOWANWFEEU-IUODEOHRSA-N 2 1 318.358 3.318 20 0 DGADMP C[C@]1([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CCC[NH2+]C1 ZINC001246190193 1104429716 /nfs/dbraw/zinc/42/97/16/1104429716.db2.gz QAPYKGZMPOGLKB-CVEARBPZSA-N 2 1 323.278 3.038 20 0 DGADMP CCC(CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246190602 1104430016 /nfs/dbraw/zinc/43/00/16/1104430016.db2.gz GDJUKKDHPMANSH-KRWDZBQOSA-N 2 1 306.450 3.006 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246195551 1104432648 /nfs/dbraw/zinc/43/26/48/1104432648.db2.gz XKCOVEWJTYJTSM-MOPGFXCFSA-N 3 1 309.542 3.401 20 0 DGADMP Cc1cc2c(s1)N([C@H]1CCC[NH2+]C1)c1ccccc1NC2=[NH2+] ZINC001246196317 1104433792 /nfs/dbraw/zinc/43/37/92/1104433792.db2.gz NRFRZVZAYAVXOF-LBPRGKRZSA-N 2 1 312.442 3.297 20 0 DGADMP CCCCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C(=O)OCC)CC1 ZINC001246200694 1104436026 /nfs/dbraw/zinc/43/60/26/1104436026.db2.gz NDGOAQZGVDMEDR-OPQOLIRYSA-N 2 1 324.509 3.256 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccnc(F)c3)c(F)c2)CC[NH2+]1 ZINC001246208719 1104437413 /nfs/dbraw/zinc/43/74/13/1104437413.db2.gz CKAPLTMQYFIOTD-DOMZBBRYSA-N 2 1 317.383 3.257 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246204726 1104437583 /nfs/dbraw/zinc/43/75/83/1104437583.db2.gz ZBGWHNCQVQKDLK-RUENVJTFSA-N 3 1 319.468 3.034 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC001246213410 1104439092 /nfs/dbraw/zinc/43/90/92/1104439092.db2.gz UWPSTFLERJCGAK-NEPJUHHUSA-N 2 1 315.230 3.208 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC001246223089 1104444937 /nfs/dbraw/zinc/44/49/37/1104444937.db2.gz VCAVBQFZXVVINW-NWDGAFQWSA-N 2 1 320.330 3.345 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246227215 1104447785 /nfs/dbraw/zinc/44/77/85/1104447785.db2.gz GOPDPRNCIFQWRM-STQMWFEESA-N 2 1 314.807 3.032 20 0 DGADMP CC[C@@H]1CC([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@@H](CC)[NH2+]1 ZINC001246257695 1104462583 /nfs/dbraw/zinc/46/25/83/1104462583.db2.gz IABPSMHYHOHVRU-BFYDXBDKSA-N 2 1 310.869 3.272 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246261682 1104464303 /nfs/dbraw/zinc/46/43/03/1104464303.db2.gz VLVIZVBBWPETIZ-IXDOHACOSA-N 2 1 310.869 3.274 20 0 DGADMP CCNCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246273542 1104469340 /nfs/dbraw/zinc/46/93/40/1104469340.db2.gz JVOVCNSMKJXZJA-FQEVSTJZSA-N 2 1 324.468 3.322 20 0 DGADMP CC[NH2+]CC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246273542 1104469346 /nfs/dbraw/zinc/46/93/46/1104469346.db2.gz JVOVCNSMKJXZJA-FQEVSTJZSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[NH2+]1 ZINC001246276199 1104469375 /nfs/dbraw/zinc/46/93/75/1104469375.db2.gz KNSJPTNHELQWGR-XUWXXGDYSA-N 2 1 306.425 3.024 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246278238 1104470874 /nfs/dbraw/zinc/47/08/74/1104470874.db2.gz FTCOGLBVVHUQNI-GFCCVEGCSA-N 2 1 311.267 3.241 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246300299 1104478342 /nfs/dbraw/zinc/47/83/42/1104478342.db2.gz PXLKHSPDWZUAES-KSSFIOAISA-N 2 1 302.849 3.431 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246327424 1104491529 /nfs/dbraw/zinc/49/15/29/1104491529.db2.gz SXIKWQGNEYMESP-ZOWXZIJZSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246331410 1104494158 /nfs/dbraw/zinc/49/41/58/1104494158.db2.gz BGPYBINFWFDCJC-QHGAOEGBSA-N 2 1 315.505 3.006 20 0 DGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246332685 1104495928 /nfs/dbraw/zinc/49/59/28/1104495928.db2.gz SFKSXSBYFOEBAV-KRWDZBQOSA-N 2 1 321.896 3.287 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1C[NH2+]CCC1(C)C)CC2 ZINC001246333721 1104496151 /nfs/dbraw/zinc/49/61/51/1104496151.db2.gz WMTOCIYESOTPGF-PXAZEXFGSA-N 2 1 322.880 3.184 20 0 DGADMP CCCCCCOC(=O)CCCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246339730 1104498865 /nfs/dbraw/zinc/49/88/65/1104498865.db2.gz GRQGMOHWBHWDDR-DLBZAZTESA-N 2 1 312.498 3.400 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3OC)CC[NH2+]CC2)C1 ZINC001246378831 1104514770 /nfs/dbraw/zinc/51/47/70/1104514770.db2.gz ZBRZPHUMASMLDY-JKSUJKDBSA-N 2 1 302.462 3.442 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cncc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC001246400194 1104528113 /nfs/dbraw/zinc/52/81/13/1104528113.db2.gz NBWWQJAGEYQFHR-WKPIXPDZSA-N 2 1 313.367 3.282 20 0 DGADMP CCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246406706 1104529404 /nfs/dbraw/zinc/52/94/04/1104529404.db2.gz NTNUGESGMOAQFO-SJORKVTESA-N 2 1 306.450 3.006 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccncc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246406866 1104530073 /nfs/dbraw/zinc/53/00/73/1104530073.db2.gz PZFANEKOEPSYSL-GOEBONIOSA-N 2 1 323.431 3.302 20 0 DGADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)O1 ZINC001246413727 1104532666 /nfs/dbraw/zinc/53/26/66/1104532666.db2.gz PSOQJPSRACGRPN-OKZBNKHCSA-N 2 1 302.462 3.069 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246436838 1104538055 /nfs/dbraw/zinc/53/80/55/1104538055.db2.gz AYPHVDRDDVIFBJ-RHSMWYFYSA-N 2 1 322.880 3.162 20 0 DGADMP CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246434551 1104538645 /nfs/dbraw/zinc/53/86/45/1104538645.db2.gz MQSQHXNDOLYURH-AWEZNQCLSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246436840 1104538934 /nfs/dbraw/zinc/53/89/34/1104538934.db2.gz AYPHVDRDDVIFBJ-WMLDXEAASA-N 2 1 322.880 3.162 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1C(F)(F)F ZINC001246441630 1104541266 /nfs/dbraw/zinc/54/12/66/1104541266.db2.gz NOEFDUPAPPWLMS-DGCLKSJQSA-N 2 1 316.367 3.334 20 0 DGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246441557 1104542158 /nfs/dbraw/zinc/54/21/58/1104542158.db2.gz IYGLEIRELYPEAI-WDSOQIARSA-N 2 1 303.494 3.065 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246445074 1104542466 /nfs/dbraw/zinc/54/24/66/1104542466.db2.gz GMKUCRHPEQBWSQ-BHIYHBOVSA-N 2 1 303.494 3.065 20 0 DGADMP CC[C@]1([NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460764 1104547787 /nfs/dbraw/zinc/54/77/87/1104547787.db2.gz NCPHPWVUXNTGCN-WFASDCNBSA-N 2 1 316.367 3.248 20 0 DGADMP CC[C@]1([NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460761 1104547903 /nfs/dbraw/zinc/54/79/03/1104547903.db2.gz NCPHPWVUXNTGCN-DOMZBBRYSA-N 2 1 316.367 3.248 20 0 DGADMP CC[C@]1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC001246466455 1104549895 /nfs/dbraw/zinc/54/98/95/1104549895.db2.gz VODHLPUJJPCABM-QUCCMNQESA-N 2 1 315.505 3.161 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246462439 1104550217 /nfs/dbraw/zinc/55/02/17/1104550217.db2.gz SBIGPAULQWRJQU-CRAIPNDOSA-N 2 1 310.482 3.010 20 0 DGADMP COc1cccc2c1CC[C@H](CCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246462602 1104550398 /nfs/dbraw/zinc/55/03/98/1104550398.db2.gz BWUBDVIFDLYOJG-XYJFISCASA-N 2 1 316.489 3.310 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001274954178 1104555455 /nfs/dbraw/zinc/55/54/55/1104555455.db2.gz ZSCLUDSCNKDAAO-GASCZTMLSA-N 2 1 310.844 3.295 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001274954178 1104555465 /nfs/dbraw/zinc/55/54/65/1104555465.db2.gz ZSCLUDSCNKDAAO-GASCZTMLSA-N 2 1 310.844 3.295 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001274954178 1104555476 /nfs/dbraw/zinc/55/54/76/1104555476.db2.gz ZSCLUDSCNKDAAO-GASCZTMLSA-N 2 1 310.844 3.295 20 0 DGADMP CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCCC[NH2+]C2)CCCCC1 ZINC001246472931 1104555590 /nfs/dbraw/zinc/55/55/90/1104555590.db2.gz HSCLUGHYTAESDT-HNNXBMFYSA-N 2 1 310.482 3.010 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246487982 1104561615 /nfs/dbraw/zinc/56/16/15/1104561615.db2.gz UTQBLJJTEAMWRZ-CGTJXYLNSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246495626 1104565249 /nfs/dbraw/zinc/56/52/49/1104565249.db2.gz KUINAIPQKIUOGK-SWHYSGLUSA-N 2 1 313.272 3.438 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246498479 1104566078 /nfs/dbraw/zinc/56/60/78/1104566078.db2.gz RXRPEXLFRAWYBW-QZTJIDSGSA-N 3 1 307.526 3.282 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246501460 1104567072 /nfs/dbraw/zinc/56/70/72/1104567072.db2.gz SLRZKXRILREXJC-ZKYQVNSYSA-N 2 1 324.266 3.036 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]3C[C@H]31)CC2 ZINC001246501858 1104568396 /nfs/dbraw/zinc/56/83/96/1104568396.db2.gz DZVWGFROHQXZTM-BRXULGCHSA-N 2 1 311.256 3.048 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246502535 1104569061 /nfs/dbraw/zinc/56/90/61/1104569061.db2.gz FOHSZTQPCGWIEW-HNNXBMFYSA-N 2 1 309.885 3.272 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246506615 1104570023 /nfs/dbraw/zinc/57/00/23/1104570023.db2.gz WVNZZRMHCLJFEF-MOPGFXCFSA-N 2 1 317.521 3.393 20 0 DGADMP CCc1ccc(C[C@@H](C)N[C@@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509902 1104570173 /nfs/dbraw/zinc/57/01/73/1104570173.db2.gz KKPFNRSLSLTGGZ-QRWLVFNGSA-N 2 1 312.457 3.478 20 0 DGADMP CCOc1ccc(F)c(F)c1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274993715 1104572504 /nfs/dbraw/zinc/57/25/04/1104572504.db2.gz DBAHKVNTUUUXRT-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246520594 1104575620 /nfs/dbraw/zinc/57/56/20/1104575620.db2.gz SVBGJLUMFCAJOH-SFTDATJTSA-N 2 1 306.453 3.408 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1C ZINC001246519554 1104576556 /nfs/dbraw/zinc/57/65/56/1104576556.db2.gz CAYFYDKRJZLQGM-IBGZPJMESA-N 2 1 313.489 3.100 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC[NH2+]1 ZINC001246533987 1104578895 /nfs/dbraw/zinc/57/88/95/1104578895.db2.gz PHLOFQPOCITEBB-IAGOWNOFSA-N 2 1 321.896 3.301 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c1 ZINC001246536418 1104582084 /nfs/dbraw/zinc/58/20/84/1104582084.db2.gz FEEUUESKJWBLJG-MOPGFXCFSA-N 2 1 315.505 3.284 20 0 DGADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246543543 1104586281 /nfs/dbraw/zinc/58/62/81/1104586281.db2.gz ZVDDIZXCNFQTTO-PKOBYXMFSA-N 2 1 319.468 3.259 20 0 DGADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001275040552 1104586659 /nfs/dbraw/zinc/58/66/59/1104586659.db2.gz NETZORFDIIQCOD-LJQANCHMSA-N 2 1 319.537 3.082 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246546058 1104587177 /nfs/dbraw/zinc/58/71/77/1104587177.db2.gz FCHIMGBAXQREQU-YOEHRIQHSA-N 2 1 310.844 3.350 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001246547406 1104587323 /nfs/dbraw/zinc/58/73/23/1104587323.db2.gz CVYSSQMMUATYTB-HZPDHXFCSA-N 2 1 323.278 3.120 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C[C@H]1C[NH3+] ZINC001246547907 1104587939 /nfs/dbraw/zinc/58/79/39/1104587939.db2.gz DBQAIIKBJZMHKJ-LSDHHAIUSA-N 2 1 321.896 3.226 20 0 DGADMP C[C@H]1CC[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246548732 1104588743 /nfs/dbraw/zinc/58/87/43/1104588743.db2.gz GCNFDMJUFKNKOS-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548939 1104588828 /nfs/dbraw/zinc/58/88/28/1104588828.db2.gz LDSOWVNNRZZYIQ-XJKSGUPXSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@@]1([NH3+])CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553395 1104592245 /nfs/dbraw/zinc/59/22/45/1104592245.db2.gz RKDZFFNEMZERSM-WOJBJXKFSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553395 1104592251 /nfs/dbraw/zinc/59/22/51/1104592251.db2.gz RKDZFFNEMZERSM-WOJBJXKFSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553395 1104592257 /nfs/dbraw/zinc/59/22/57/1104592257.db2.gz RKDZFFNEMZERSM-WOJBJXKFSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001246553395 1104592264 /nfs/dbraw/zinc/59/22/64/1104592264.db2.gz RKDZFFNEMZERSM-WOJBJXKFSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553395 1104592269 /nfs/dbraw/zinc/59/22/69/1104592269.db2.gz RKDZFFNEMZERSM-WOJBJXKFSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246553573 1104593517 /nfs/dbraw/zinc/59/35/17/1104593517.db2.gz BKTPZLBUFOAPGA-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@]1([NH3+])CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553393 1104593818 /nfs/dbraw/zinc/59/38/18/1104593818.db2.gz RKDZFFNEMZERSM-UXHICEINSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553393 1104593826 /nfs/dbraw/zinc/59/38/26/1104593826.db2.gz RKDZFFNEMZERSM-UXHICEINSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553393 1104593832 /nfs/dbraw/zinc/59/38/32/1104593832.db2.gz RKDZFFNEMZERSM-UXHICEINSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001246553393 1104593841 /nfs/dbraw/zinc/59/38/41/1104593841.db2.gz RKDZFFNEMZERSM-UXHICEINSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553393 1104593846 /nfs/dbraw/zinc/59/38/46/1104593846.db2.gz RKDZFFNEMZERSM-UXHICEINSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001246560707 1104594786 /nfs/dbraw/zinc/59/47/86/1104594786.db2.gz SCLUOGZRCGLVQA-ORBLRFAASA-N 2 1 324.509 3.194 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001246559433 1104595322 /nfs/dbraw/zinc/59/53/22/1104595322.db2.gz BGDQPSTWUQPZRB-INECWFNRSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246562992 1104598272 /nfs/dbraw/zinc/59/82/72/1104598272.db2.gz IOKQUUZNRCDFMX-RAIGVLPGSA-N 2 1 312.379 3.020 20 0 DGADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275058397 1104599359 /nfs/dbraw/zinc/59/93/59/1104599359.db2.gz RVZNGGISJYUKBR-GBESFXJTSA-N 2 1 307.526 3.079 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275061654 1104600416 /nfs/dbraw/zinc/60/04/16/1104600416.db2.gz JNOBIPNGBVMUFN-MRXNPFEDSA-N 2 1 317.477 3.121 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001246577347 1104601921 /nfs/dbraw/zinc/60/19/21/1104601921.db2.gz OWNAXFPIJTXSRF-FHWLQOOXSA-N 2 1 302.462 3.358 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246580565 1104603464 /nfs/dbraw/zinc/60/34/64/1104603464.db2.gz XDDCYGLIZGKLFO-RJYAGPCLSA-N 2 1 324.509 3.338 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246581631 1104603737 /nfs/dbraw/zinc/60/37/37/1104603737.db2.gz ZLVWIXVWLKUBOC-MAUKXSAKSA-N 2 1 308.416 3.273 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246578620 1104603886 /nfs/dbraw/zinc/60/38/86/1104603886.db2.gz BGHOXCFNSPNDFS-DFBGVHRSSA-N 2 1 300.418 3.068 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246578620 1104603892 /nfs/dbraw/zinc/60/38/92/1104603892.db2.gz BGHOXCFNSPNDFS-DFBGVHRSSA-N 2 1 300.418 3.068 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578285 1104603953 /nfs/dbraw/zinc/60/39/53/1104603953.db2.gz AIPMGILHKJJLKN-RDJZCZTQSA-N 2 1 308.853 3.094 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578285 1104603963 /nfs/dbraw/zinc/60/39/63/1104603963.db2.gz AIPMGILHKJJLKN-RDJZCZTQSA-N 2 1 308.853 3.094 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246578629 1104604265 /nfs/dbraw/zinc/60/42/65/1104604265.db2.gz BGHOXCFNSPNDFS-UGFHNGPFSA-N 2 1 300.418 3.068 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246578629 1104604274 /nfs/dbraw/zinc/60/42/74/1104604274.db2.gz BGHOXCFNSPNDFS-UGFHNGPFSA-N 2 1 300.418 3.068 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001246578837 1104604492 /nfs/dbraw/zinc/60/44/92/1104604492.db2.gz CSMVACDCMOODBH-GUDVDZBRSA-N 2 1 302.462 3.358 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001246579978 1104604698 /nfs/dbraw/zinc/60/46/98/1104604698.db2.gz DTMSPVINNLLDHD-DGCLKSJQSA-N 2 1 312.379 3.022 20 0 DGADMP CCC[C@H]1CC[C@H](C2CCC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)CC1 ZINC001246585033 1104605891 /nfs/dbraw/zinc/60/58/91/1104605891.db2.gz MRSYJGLNWVLYOV-SDURROFBSA-N 2 1 322.537 3.403 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001246586352 1104606604 /nfs/dbraw/zinc/60/66/04/1104606604.db2.gz UDBRXIQNXBCJJD-FQEVSTJZSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001246586352 1104606607 /nfs/dbraw/zinc/60/66/07/1104606607.db2.gz UDBRXIQNXBCJJD-FQEVSTJZSA-N 2 1 315.505 3.102 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(C[NH+](Cc3cc(C)nn3C)C2)CC1 ZINC001275072929 1104609120 /nfs/dbraw/zinc/60/91/20/1104609120.db2.gz JPHJDBLBTKYGHK-MRXNPFEDSA-N 2 1 318.509 3.063 20 0 DGADMP CC(C)[N@@H+]([C@@H]1COc2ccc(Cl)cc2C1)[C@H]1CCC[NH2+]CC1 ZINC001246591833 1104610013 /nfs/dbraw/zinc/61/00/13/1104610013.db2.gz JNDYLHBWMUTLEJ-IRXDYDNUSA-N 2 1 322.880 3.496 20 0 DGADMP CCC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275074385 1104610771 /nfs/dbraw/zinc/61/07/71/1104610771.db2.gz RXCUWMGNODZWCR-OALUTQOASA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275074385 1104610777 /nfs/dbraw/zinc/61/07/77/1104610777.db2.gz RXCUWMGNODZWCR-OALUTQOASA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275074385 1104610781 /nfs/dbraw/zinc/61/07/81/1104610781.db2.gz RXCUWMGNODZWCR-OALUTQOASA-N 2 1 318.509 3.107 20 0 DGADMP CCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246594120 1104611694 /nfs/dbraw/zinc/61/16/94/1104611694.db2.gz JHWSXPYKWQNBAD-LNLFQRSKSA-N 2 1 324.509 3.210 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246593466 1104612600 /nfs/dbraw/zinc/61/26/00/1104612600.db2.gz HZSDHGWMZZFEOH-QWHCGFSZSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246593466 1104612603 /nfs/dbraw/zinc/61/26/03/1104612603.db2.gz HZSDHGWMZZFEOH-QWHCGFSZSA-N 2 1 316.367 3.200 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](CCc4ccccc4)C[C@H]3CC2)c1 ZINC001275088969 1104614981 /nfs/dbraw/zinc/61/49/81/1104614981.db2.gz KLKYWMAKIMHGOK-BGYRXZFFSA-N 2 1 323.484 3.401 20 0 DGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](CCc4ccccc4)C[C@H]3CC2)c1 ZINC001275088969 1104614984 /nfs/dbraw/zinc/61/49/84/1104614984.db2.gz KLKYWMAKIMHGOK-BGYRXZFFSA-N 2 1 323.484 3.401 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](CCc4ccccc4)C[C@H]3CC2)c1 ZINC001275088969 1104614991 /nfs/dbraw/zinc/61/49/91/1104614991.db2.gz KLKYWMAKIMHGOK-BGYRXZFFSA-N 2 1 323.484 3.401 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599072 1104616273 /nfs/dbraw/zinc/61/62/73/1104616273.db2.gz AHZHCGIZNCQHBN-SUMWQHHRSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599072 1104616281 /nfs/dbraw/zinc/61/62/81/1104616281.db2.gz AHZHCGIZNCQHBN-SUMWQHHRSA-N 2 1 310.844 3.486 20 0 DGADMP CCCCCC[C@@H](C)[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246598722 1104616791 /nfs/dbraw/zinc/61/67/91/1104616791.db2.gz BALCROWBBKUYRN-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246600962 1104618791 /nfs/dbraw/zinc/61/87/91/1104618791.db2.gz FKZJLJGLKITBRK-HXUWFJFHSA-N 3 1 319.537 3.107 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246600962 1104618798 /nfs/dbraw/zinc/61/87/98/1104618798.db2.gz FKZJLJGLKITBRK-HXUWFJFHSA-N 3 1 319.537 3.107 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246604371 1104619842 /nfs/dbraw/zinc/61/98/42/1104619842.db2.gz LGVOOVMAVHKRIM-PKOBYXMFSA-N 2 1 301.478 3.258 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246606180 1104622628 /nfs/dbraw/zinc/62/26/28/1104622628.db2.gz MOICVDKCGUPLRT-FXAWDEMLSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246605336 1104622996 /nfs/dbraw/zinc/62/29/96/1104622996.db2.gz BFFKUOJNELECOR-YLJYHZDGSA-N 2 1 314.473 3.018 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610832 1104626899 /nfs/dbraw/zinc/62/68/99/1104626899.db2.gz OEWRVWJYMNVVNG-MSOLQXFVSA-N 2 1 304.865 3.273 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610832 1104626904 /nfs/dbraw/zinc/62/69/04/1104626904.db2.gz OEWRVWJYMNVVNG-MSOLQXFVSA-N 2 1 304.865 3.273 20 0 DGADMP CCC[NH+]1CCC2(CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001275103155 1104627442 /nfs/dbraw/zinc/62/74/42/1104627442.db2.gz FJWSUXJKEHHWHF-UHFFFAOYSA-N 2 1 312.461 3.261 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)C2 ZINC001246613872 1104628842 /nfs/dbraw/zinc/62/88/42/1104628842.db2.gz ZHBULMLBQZMNIO-ROUUACIJSA-N 2 1 304.865 3.273 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246619288 1104631380 /nfs/dbraw/zinc/63/13/80/1104631380.db2.gz KGZHLRIQFYFBOK-DUVNUKRYSA-N 2 1 312.379 3.320 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246624458 1104632826 /nfs/dbraw/zinc/63/28/26/1104632826.db2.gz UYWGALNDFSCAOU-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246624458 1104632831 /nfs/dbraw/zinc/63/28/31/1104632831.db2.gz UYWGALNDFSCAOU-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627458 1104634450 /nfs/dbraw/zinc/63/44/50/1104634450.db2.gz JTICEZUOVJXZHG-PBHICJAKSA-N 2 1 308.466 3.382 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246627839 1104634618 /nfs/dbraw/zinc/63/46/18/1104634618.db2.gz AGNYBWKRRMICHE-YLJYHZDGSA-N 2 1 314.473 3.161 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246626291 1104634894 /nfs/dbraw/zinc/63/48/94/1104634894.db2.gz IPMJLZZOBTWJMH-YUELXQCFSA-N 2 1 310.844 3.342 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246641771 1104642558 /nfs/dbraw/zinc/64/25/58/1104642558.db2.gz FNUYYYPTLXYZDZ-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246641771 1104642565 /nfs/dbraw/zinc/64/25/65/1104642565.db2.gz FNUYYYPTLXYZDZ-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246649110 1104645053 /nfs/dbraw/zinc/64/50/53/1104645053.db2.gz VGRQESRLDHCRGH-DZKIICNBSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246649110 1104645057 /nfs/dbraw/zinc/64/50/57/1104645057.db2.gz VGRQESRLDHCRGH-DZKIICNBSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246647335 1104645717 /nfs/dbraw/zinc/64/57/17/1104645717.db2.gz SCMXHOGAIGPELX-XEBKBJJBSA-N 2 1 323.278 3.193 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649814 1104647968 /nfs/dbraw/zinc/64/79/68/1104647968.db2.gz FOIHBUWGISSFMZ-XLIONFOSSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649814 1104647973 /nfs/dbraw/zinc/64/79/73/1104647973.db2.gz FOIHBUWGISSFMZ-XLIONFOSSA-N 2 1 314.473 3.161 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246653608 1104648715 /nfs/dbraw/zinc/64/87/15/1104648715.db2.gz IMDRFIJBZQQZBR-CEXWTWQISA-N 3 1 307.526 3.151 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246652665 1104649450 /nfs/dbraw/zinc/64/94/50/1104649450.db2.gz GWZSASGGRXAUPJ-YDZRNGNQSA-N 3 1 307.526 3.150 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656382 1104650617 /nfs/dbraw/zinc/65/06/17/1104650617.db2.gz DLJOLDDKGJGWIK-ZZTKVPBPSA-N 2 1 314.807 3.361 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656382 1104650622 /nfs/dbraw/zinc/65/06/22/1104650622.db2.gz DLJOLDDKGJGWIK-ZZTKVPBPSA-N 2 1 314.807 3.361 20 0 DGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246657797 1104650745 /nfs/dbraw/zinc/65/07/45/1104650745.db2.gz IYGKNQPYKRTEAC-ZWUHOBOKSA-N 2 1 311.256 3.272 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246669903 1104655619 /nfs/dbraw/zinc/65/56/19/1104655619.db2.gz CMPMCTMYQSTLHR-DFQSSKMNSA-N 2 1 316.489 3.412 20 0 DGADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246669903 1104655624 /nfs/dbraw/zinc/65/56/24/1104655624.db2.gz CMPMCTMYQSTLHR-DFQSSKMNSA-N 2 1 316.489 3.412 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001246670293 1104656075 /nfs/dbraw/zinc/65/60/75/1104656075.db2.gz PIRTWYWPUOKJII-UHFFFAOYSA-N 2 1 323.278 3.338 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001246674924 1104657074 /nfs/dbraw/zinc/65/70/74/1104657074.db2.gz OYVFROVJYSUMSD-NYSBEXSLSA-N 2 1 324.468 3.463 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246676665 1104657484 /nfs/dbraw/zinc/65/74/84/1104657484.db2.gz DLIMFXBIAXZMMB-BPQIPLTHSA-N 2 1 304.453 3.468 20 0 DGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679249 1104658908 /nfs/dbraw/zinc/65/89/08/1104658908.db2.gz RYHMSCZNWVLHDN-NXHRZFHOSA-N 2 1 304.453 3.468 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679778 1104660079 /nfs/dbraw/zinc/66/00/79/1104660079.db2.gz XONDXFQINYZDNG-IPMKNSEASA-N 3 1 309.542 3.209 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246683328 1104660134 /nfs/dbraw/zinc/66/01/34/1104660134.db2.gz RKTIUXXVCJVIAF-NSISKUIASA-N 2 1 310.441 3.290 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246689377 1104661520 /nfs/dbraw/zinc/66/15/20/1104661520.db2.gz JPWNZMPVJRHQGJ-NCXUSEDFSA-N 2 1 302.437 3.346 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246685364 1104661568 /nfs/dbraw/zinc/66/15/68/1104661568.db2.gz HSFCVUFJBNOLKK-MSOLQXFVSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246690068 1104661768 /nfs/dbraw/zinc/66/17/68/1104661768.db2.gz JVYPTXDAGLZZSO-COXVUDFISA-N 2 1 310.844 3.295 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001246691664 1104662065 /nfs/dbraw/zinc/66/20/65/1104662065.db2.gz LYGASNXTYVNRGS-KURKYZTESA-N 2 1 322.855 3.221 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692760 1104664078 /nfs/dbraw/zinc/66/40/78/1104664078.db2.gz OMNWUNQBSIYJTJ-XYPHTWIQSA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692760 1104664081 /nfs/dbraw/zinc/66/40/81/1104664081.db2.gz OMNWUNQBSIYJTJ-XYPHTWIQSA-N 2 1 310.844 3.295 20 0 DGADMP C([C@H]1CCOC1)[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001275172875 1104664661 /nfs/dbraw/zinc/66/46/61/1104664661.db2.gz XODLWFIOECIFDW-QGZVFWFLSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275172851 1104665174 /nfs/dbraw/zinc/66/51/74/1104665174.db2.gz XFUKHZZZAXMKND-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCOC1)[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275172851 1104665178 /nfs/dbraw/zinc/66/51/78/1104665178.db2.gz XFUKHZZZAXMKND-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCOC1)[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275172851 1104665180 /nfs/dbraw/zinc/66/51/80/1104665180.db2.gz XFUKHZZZAXMKND-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246777175 1104668549 /nfs/dbraw/zinc/66/85/49/1104668549.db2.gz KNHWAJOFFQKPCI-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246777175 1104668553 /nfs/dbraw/zinc/66/85/53/1104668553.db2.gz KNHWAJOFFQKPCI-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246781415 1104670939 /nfs/dbraw/zinc/67/09/39/1104670939.db2.gz FGQXEBFKBSODME-SFNKJDCFSA-N 2 1 300.446 3.203 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](CCC(=O)OC)C2CCCC2)CC[NH2+]1 ZINC001246780591 1104670952 /nfs/dbraw/zinc/67/09/52/1104670952.db2.gz CHHAKEGHVMJBBO-NVXWUHKLSA-N 2 1 310.482 3.105 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)cc1 ZINC001246781487 1104671041 /nfs/dbraw/zinc/67/10/41/1104671041.db2.gz GBBJJKSKAXPVJV-MDZRGWNJSA-N 2 1 302.462 3.367 20 0 DGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1OC ZINC001246783642 1104671866 /nfs/dbraw/zinc/67/18/66/1104671866.db2.gz CMPAHDRBDVAJPF-QAPCUYQASA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1OC ZINC001246783642 1104671871 /nfs/dbraw/zinc/67/18/71/1104671871.db2.gz CMPAHDRBDVAJPF-QAPCUYQASA-N 2 1 320.477 3.302 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246784384 1104673169 /nfs/dbraw/zinc/67/31/69/1104673169.db2.gz GGHCVQPOGYVWNW-FAJBIJEISA-N 2 1 302.462 3.449 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246784665 1104673376 /nfs/dbraw/zinc/67/33/76/1104673376.db2.gz HNYVUJKBGZYDBG-UHOSZYNNSA-N 2 1 300.446 3.062 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246784636 1104673662 /nfs/dbraw/zinc/67/36/62/1104673662.db2.gz HGFDCULXXBUGSW-LMMKCTJWSA-N 2 1 302.462 3.451 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246787975 1104674749 /nfs/dbraw/zinc/67/47/49/1104674749.db2.gz SPUYXXWCIWHURV-FHWLQOOXSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246787977 1104675270 /nfs/dbraw/zinc/67/52/70/1104675270.db2.gz SPUYXXWCIWHURV-QRVBRYPASA-N 2 1 302.462 3.054 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246787965 1104675322 /nfs/dbraw/zinc/67/53/22/1104675322.db2.gz SNNDBJNNQLWZPS-GOSISDBHSA-N 2 1 314.473 3.370 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787074 1104675345 /nfs/dbraw/zinc/67/53/45/1104675345.db2.gz QDFKBQATHZNPDQ-QRQLOZEOSA-N 2 1 302.462 3.306 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246789658 1104676381 /nfs/dbraw/zinc/67/63/81/1104676381.db2.gz DPVGJAAJMQNOMJ-SLFFLAALSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789033 1104676884 /nfs/dbraw/zinc/67/68/84/1104676884.db2.gz ARFMNGBVSPTSPP-CYBMUJFWSA-N 2 1 312.379 3.322 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001246793144 1104677789 /nfs/dbraw/zinc/67/77/89/1104677789.db2.gz DLFSWJJRFXEOOK-WMLDXEAASA-N 2 1 310.869 3.319 20 0 DGADMP CC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246795915 1104679301 /nfs/dbraw/zinc/67/93/01/1104679301.db2.gz JRUFVSSKMCMWEA-MJGOQNOKSA-N 2 1 319.468 3.001 20 0 DGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246795915 1104679307 /nfs/dbraw/zinc/67/93/07/1104679307.db2.gz JRUFVSSKMCMWEA-MJGOQNOKSA-N 2 1 319.468 3.001 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246793703 1104679439 /nfs/dbraw/zinc/67/94/39/1104679439.db2.gz CYAGDJKRQJQEKM-QGZVFWFLSA-N 2 1 318.461 3.058 20 0 DGADMP Clc1ccc(CO[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246796467 1104679503 /nfs/dbraw/zinc/67/95/03/1104679503.db2.gz KLRCVWHBFQUXHC-QGZVFWFLSA-N 2 1 308.853 3.073 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246799858 1104680800 /nfs/dbraw/zinc/68/08/00/1104680800.db2.gz PBPBIICJFKUSSM-AOIWGVFYSA-N 2 1 317.477 3.236 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246798263 1104681202 /nfs/dbraw/zinc/68/12/02/1104681202.db2.gz NQKZIADYUFWNOT-JCGIZDLHSA-N 2 1 322.880 3.462 20 0 DGADMP c1ccc([C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)CCO2)cc1 ZINC001246798705 1104681283 /nfs/dbraw/zinc/68/12/83/1104681283.db2.gz QRHOISZXIQGRLR-LJQANCHMSA-N 2 1 314.473 3.372 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH2+]CC2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246811384 1104685089 /nfs/dbraw/zinc/68/50/89/1104685089.db2.gz UFDFTBGSUNRAMS-IZZQQSIFSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246811955 1104687155 /nfs/dbraw/zinc/68/71/55/1104687155.db2.gz AVSXAVGXRCHCON-PIIMJCKOSA-N 2 1 304.478 3.479 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246813886 1104688294 /nfs/dbraw/zinc/68/82/94/1104688294.db2.gz LSOYVLWTOAZJNF-WMZOPIPTSA-N 2 1 304.478 3.336 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246814540 1104688354 /nfs/dbraw/zinc/68/83/54/1104688354.db2.gz QHMZVYXJPPVQMS-ZWKOTPCHSA-N 2 1 304.478 3.480 20 0 DGADMP C[N@H+](CCC(=O)c1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246819645 1104690455 /nfs/dbraw/zinc/69/04/55/1104690455.db2.gz DMIRVBMPKVCQLH-SJLPKXTDSA-N 2 1 302.462 3.358 20 0 DGADMP C[N@@H+](CCC(=O)c1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246819645 1104690457 /nfs/dbraw/zinc/69/04/57/1104690457.db2.gz DMIRVBMPKVCQLH-SJLPKXTDSA-N 2 1 302.462 3.358 20 0 DGADMP COCCC[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001246834092 1104695930 /nfs/dbraw/zinc/69/59/30/1104695930.db2.gz DIDIAVKKUIVTBL-HNNXBMFYSA-N 2 1 324.896 3.362 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246837314 1104698389 /nfs/dbraw/zinc/69/83/89/1104698389.db2.gz DBJQOHSOVWJMJY-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246838582 1104699003 /nfs/dbraw/zinc/69/90/03/1104699003.db2.gz DCTISIGDZTZZIW-FOLVSLTJSA-N 2 1 323.278 3.269 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)C[C@H]1CCC[NH2+]C1)CC2 ZINC001246839021 1104699439 /nfs/dbraw/zinc/69/94/39/1104699439.db2.gz AFDPBOQWDXNEJC-UONOGXRCSA-N 2 1 322.880 3.137 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246838555 1104699477 /nfs/dbraw/zinc/69/94/77/1104699477.db2.gz JEIZCYCNUWXVAE-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP c1ccc([C@H]2CCC[N@H+]([C@@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246845675 1104704300 /nfs/dbraw/zinc/70/43/00/1104704300.db2.gz MQMKKBHEOUGELG-IRXDYDNUSA-N 2 1 302.487 3.104 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246845565 1104704786 /nfs/dbraw/zinc/70/47/86/1104704786.db2.gz LKDYCNCQNUTFCF-MRXNPFEDSA-N 2 1 316.445 3.302 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246845565 1104704792 /nfs/dbraw/zinc/70/47/92/1104704792.db2.gz LKDYCNCQNUTFCF-MRXNPFEDSA-N 2 1 316.445 3.302 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c(C)c1 ZINC001246855191 1104708491 /nfs/dbraw/zinc/70/84/91/1104708491.db2.gz WEPXIDVRYLULHT-REPLKXPHSA-N 2 1 313.489 3.099 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246853113 1104708600 /nfs/dbraw/zinc/70/86/00/1104708600.db2.gz TVUGCGBCWMPLSE-NVXWUHKLSA-N 2 1 308.853 3.325 20 0 DGADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246855660 1104709489 /nfs/dbraw/zinc/70/94/89/1104709489.db2.gz AQXXGHDVNUQXHR-DLBZAZTESA-N 2 1 322.493 3.107 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246858140 1104710485 /nfs/dbraw/zinc/71/04/85/1104710485.db2.gz BQHKHZWUGVHXSX-SFHVURJKSA-N 2 1 316.489 3.482 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246856232 1104710651 /nfs/dbraw/zinc/71/06/51/1104710651.db2.gz ZWFXKAQCEZGYMK-BMFAXAFESA-N 2 1 302.437 3.078 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246870450 1104714867 /nfs/dbraw/zinc/71/48/67/1104714867.db2.gz BRHZXFXKIIMNNY-VSKRKVRLSA-N 2 1 320.480 3.481 20 0 DGADMP C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC001246876052 1104716915 /nfs/dbraw/zinc/71/69/15/1104716915.db2.gz XXGKEJZAZAPENO-JENIJYKNSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246885382 1104722785 /nfs/dbraw/zinc/72/27/85/1104722785.db2.gz FFGGZNUNBRPFII-RYQLBKOJSA-N 2 1 304.478 3.335 20 0 DGADMP c1csc([C@H]2CNCC[N@H+]2C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246887061 1104724423 /nfs/dbraw/zinc/72/44/23/1104724423.db2.gz UBSLZOPBVFOYGU-MRXNPFEDSA-N 2 1 319.518 3.007 20 0 DGADMP c1csc([C@H]2C[NH2+]CCN2C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246887061 1104724429 /nfs/dbraw/zinc/72/44/29/1104724429.db2.gz UBSLZOPBVFOYGU-MRXNPFEDSA-N 2 1 319.518 3.007 20 0 DGADMP CCCN([C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246893612 1104726321 /nfs/dbraw/zinc/72/63/21/1104726321.db2.gz LACFSKIHOSGRDD-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc(-c4ccccc4)[nH]3)(C1)CCC2 ZINC001275332729 1104726469 /nfs/dbraw/zinc/72/64/69/1104726469.db2.gz AWMZRJOJVFMGQK-RBUKOAKNSA-N 2 1 310.445 3.231 20 0 DGADMP COc1cccc2c1CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246905967 1104729751 /nfs/dbraw/zinc/72/97/51/1104729751.db2.gz PIIXXODUOJYZRG-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP COc1cccc2c1CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246904435 1104730235 /nfs/dbraw/zinc/73/02/35/1104730235.db2.gz FYPZDGXSBHRPFO-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP COc1cccc2c1CC[N@@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246908202 1104731416 /nfs/dbraw/zinc/73/14/16/1104731416.db2.gz WIEMOCPOCKPWEQ-YJBOKZPZSA-N 2 1 302.462 3.220 20 0 DGADMP COc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246908202 1104731424 /nfs/dbraw/zinc/73/14/24/1104731424.db2.gz WIEMOCPOCKPWEQ-YJBOKZPZSA-N 2 1 302.462 3.220 20 0 DGADMP C[C@@H]1C[C@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246908141 1104731858 /nfs/dbraw/zinc/73/18/58/1104731858.db2.gz FZICYDNUOGOQHT-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cccnc2)cc1 ZINC001275357330 1104735174 /nfs/dbraw/zinc/73/51/74/1104735174.db2.gz FCGISCNKKKKGMT-IHWFROFDSA-N 2 1 307.441 3.463 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246913523 1104735525 /nfs/dbraw/zinc/73/55/25/1104735525.db2.gz XWOSGIGZVCLCGB-CTWPCTMYSA-N 3 1 315.505 3.289 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](Cc3cccc(OC)c3)C2)CC1 ZINC001246914105 1104735950 /nfs/dbraw/zinc/73/59/50/1104735950.db2.gz JUGRRDROEBDFDZ-VIQWUECVSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]1CC[C@H]([N@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927349 1104739715 /nfs/dbraw/zinc/73/97/15/1104739715.db2.gz ZEPQHZSYDQNCKW-HKUYNNGSSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927349 1104739721 /nfs/dbraw/zinc/73/97/21/1104739721.db2.gz ZEPQHZSYDQNCKW-HKUYNNGSSA-N 2 1 304.478 3.182 20 0 DGADMP COCC[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001246925952 1104740042 /nfs/dbraw/zinc/74/00/42/1104740042.db2.gz BBNWCPBGZFZEQD-QRVBRYPASA-N 2 1 302.462 3.023 20 0 DGADMP COCC[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001246925952 1104740046 /nfs/dbraw/zinc/74/00/46/1104740046.db2.gz BBNWCPBGZFZEQD-QRVBRYPASA-N 2 1 302.462 3.023 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246925641 1104740810 /nfs/dbraw/zinc/74/08/10/1104740810.db2.gz ZHZFABDFVRUSDO-PKOBYXMFSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1CC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246931648 1104741117 /nfs/dbraw/zinc/74/11/17/1104741117.db2.gz BKZOLBKWZYXTCH-IIDMSEBBSA-N 2 1 320.452 3.336 20 0 DGADMP C[C@@H]1CC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246931648 1104741118 /nfs/dbraw/zinc/74/11/18/1104741118.db2.gz BKZOLBKWZYXTCH-IIDMSEBBSA-N 2 1 320.452 3.336 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246930115 1104741611 /nfs/dbraw/zinc/74/16/11/1104741611.db2.gz QHDJILICJCFIAT-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001246931942 1104741906 /nfs/dbraw/zinc/74/19/06/1104741906.db2.gz NZXZAEDXVCMZAU-ZACQAIPSSA-N 2 1 304.503 3.407 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930945 1104741941 /nfs/dbraw/zinc/74/19/41/1104741941.db2.gz KRTFGGLEYGJUEN-XHSDSOJGSA-N 2 1 304.865 3.129 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246932045 1104741999 /nfs/dbraw/zinc/74/19/99/1104741999.db2.gz OXUCTSKDIKUGIB-KFWWJZLASA-N 2 1 308.466 3.238 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935438 1104742694 /nfs/dbraw/zinc/74/26/94/1104742694.db2.gz FAVLDHYULPJKSH-QRQLOZEOSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[C@@H]1C[C@H](N(C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935438 1104742700 /nfs/dbraw/zinc/74/27/00/1104742700.db2.gz FAVLDHYULPJKSH-QRQLOZEOSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942845 1104745448 /nfs/dbraw/zinc/74/54/48/1104745448.db2.gz QVLKNWSQSIVHLB-AEGPPILISA-N 2 1 310.844 3.342 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1C1CCC(OCc2ccccc2)CC1 ZINC001246940491 1104746197 /nfs/dbraw/zinc/74/61/97/1104746197.db2.gz VEHIEYMXEMNINA-JLAWEPINSA-N 2 1 302.462 3.198 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246945112 1104747336 /nfs/dbraw/zinc/74/73/36/1104747336.db2.gz FMUHSSGBCXKOKL-NVXWUHKLSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@@H]1CC([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246946847 1104748946 /nfs/dbraw/zinc/74/89/46/1104748946.db2.gz PTPZMPKNHJFHIU-HZPDHXFCSA-N 3 1 309.542 3.396 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246947616 1104748875 /nfs/dbraw/zinc/74/88/75/1104748875.db2.gz GHHJIQAWSCFQDA-QZTJIDSGSA-N 2 1 319.468 3.114 20 0 DGADMP CC[C@@H]1CC([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246946847 1104748950 /nfs/dbraw/zinc/74/89/50/1104748950.db2.gz PTPZMPKNHJFHIU-HZPDHXFCSA-N 3 1 309.542 3.396 20 0 DGADMP CC(C)N([C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246956108 1104752249 /nfs/dbraw/zinc/75/22/49/1104752249.db2.gz VXJYQWCNEDNVHH-RLLQIKCJSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]([C@@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246960051 1104752941 /nfs/dbraw/zinc/75/29/41/1104752941.db2.gz LNIWSBDRQHMLNJ-SFHVURJKSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]([C@@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246960051 1104752945 /nfs/dbraw/zinc/75/29/45/1104752945.db2.gz LNIWSBDRQHMLNJ-SFHVURJKSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)nc1 ZINC001246966008 1104753491 /nfs/dbraw/zinc/75/34/91/1104753491.db2.gz IUCZTMXCZBXULV-BBWFWOEESA-N 2 1 317.477 3.010 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)nc1 ZINC001246966009 1104754091 /nfs/dbraw/zinc/75/40/91/1104754091.db2.gz IUCZTMXCZBXULV-BRWVUGGUSA-N 2 1 317.477 3.010 20 0 DGADMP CC[C@@H]1C[C@@H](N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246963171 1104754154 /nfs/dbraw/zinc/75/41/54/1104754154.db2.gz GKPPWAJUFMVLQN-AABGKKOBSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246972170 1104757048 /nfs/dbraw/zinc/75/70/48/1104757048.db2.gz ZUZARTRBBZZYKS-RTWGARKQSA-N 3 1 319.537 3.281 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972548 1104757252 /nfs/dbraw/zinc/75/72/52/1104757252.db2.gz KJMNHUIJXAOACV-PBHICJAKSA-N 2 1 302.437 3.147 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@@H](Oc3ccncc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246975491 1104757784 /nfs/dbraw/zinc/75/77/84/1104757784.db2.gz UHTUAUZMERMLCO-JFIYKMOQSA-N 2 1 317.477 3.152 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246979956 1104761293 /nfs/dbraw/zinc/76/12/93/1104761293.db2.gz PKUWLGWQLSSWBV-MJGOQNOKSA-N 2 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246979956 1104761297 /nfs/dbraw/zinc/76/12/97/1104761297.db2.gz PKUWLGWQLSSWBV-MJGOQNOKSA-N 2 1 309.542 3.494 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CC(C)(C)C1 ZINC001246988460 1104764781 /nfs/dbraw/zinc/76/47/81/1104764781.db2.gz HLQBQVVAEPMHKK-QFBILLFUSA-N 2 1 321.553 3.349 20 0 DGADMP FC1(F)C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC[C@H]1Cc1ccccc1 ZINC001246989376 1104765096 /nfs/dbraw/zinc/76/50/96/1104765096.db2.gz RCVFYSPUTUNZKK-IRXDYDNUSA-N 2 1 320.427 3.328 20 0 DGADMP FC1(F)C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC[C@H]1Cc1ccccc1 ZINC001246989376 1104765102 /nfs/dbraw/zinc/76/51/02/1104765102.db2.gz RCVFYSPUTUNZKK-IRXDYDNUSA-N 2 1 320.427 3.328 20 0 DGADMP [NH3+][C@H]1C[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC12COC2 ZINC001246992918 1104766744 /nfs/dbraw/zinc/76/67/44/1104766744.db2.gz XEXRKGITYUSIAW-PREGVCBESA-N 2 1 320.864 3.026 20 0 DGADMP [NH3+][C@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC12COC2 ZINC001246992918 1104766748 /nfs/dbraw/zinc/76/67/48/1104766748.db2.gz XEXRKGITYUSIAW-PREGVCBESA-N 2 1 320.864 3.026 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006627 1104774041 /nfs/dbraw/zinc/77/40/41/1104774041.db2.gz UYJYKUSKYOLDFF-KRWDZBQOSA-N 2 1 321.468 3.150 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008019 1104774548 /nfs/dbraw/zinc/77/45/48/1104774548.db2.gz XQMJYEUTMZQUEO-UKPHBRMFSA-N 2 1 319.880 3.454 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008019 1104774554 /nfs/dbraw/zinc/77/45/54/1104774554.db2.gz XQMJYEUTMZQUEO-UKPHBRMFSA-N 2 1 319.880 3.454 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCO1 ZINC001247007384 1104774682 /nfs/dbraw/zinc/77/46/82/1104774682.db2.gz WIFOPJOGHWGSDE-ZWKOTPCHSA-N 2 1 314.473 3.081 20 0 DGADMP CCCCC(CCCC)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247010411 1104775872 /nfs/dbraw/zinc/77/58/72/1104775872.db2.gz VJLZFNXPLBOZGX-QGZVFWFLSA-N 2 1 324.509 3.210 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010910 1104776036 /nfs/dbraw/zinc/77/60/36/1104776036.db2.gz WPQDSJJPDSDUIG-WCVJEAGWSA-N 2 1 319.880 3.134 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010910 1104776042 /nfs/dbraw/zinc/77/60/42/1104776042.db2.gz WPQDSJJPDSDUIG-WCVJEAGWSA-N 2 1 319.880 3.134 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247016863 1104780071 /nfs/dbraw/zinc/78/00/71/1104780071.db2.gz YKAQGTQKUNSICO-VDZJLULYSA-N 2 1 302.462 3.090 20 0 DGADMP Cc1ccc(-c2ccccc2)c(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247510259 1104916294 /nfs/dbraw/zinc/91/62/94/1104916294.db2.gz ZBEINOFTZHLNSV-KRWDZBQOSA-N 2 1 322.412 3.451 20 0 DGADMP Cc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001275822667 1104922156 /nfs/dbraw/zinc/92/21/56/1104922156.db2.gz NYUFUOVLSZYWAU-UXHICEINSA-N 2 1 315.505 3.081 20 0 DGADMP COc1c(F)ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c1F ZINC001275828772 1104924830 /nfs/dbraw/zinc/92/48/30/1104924830.db2.gz IDEDUSORNVXHEJ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1c(F)ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1F ZINC001275828772 1104924835 /nfs/dbraw/zinc/92/48/35/1104924835.db2.gz IDEDUSORNVXHEJ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1c(F)ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1F ZINC001275828772 1104924839 /nfs/dbraw/zinc/92/48/39/1104924839.db2.gz IDEDUSORNVXHEJ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001275878657 1104941706 /nfs/dbraw/zinc/94/17/06/1104941706.db2.gz GJNBYRZLIFDURP-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001275878657 1104941711 /nfs/dbraw/zinc/94/17/11/1104941711.db2.gz GJNBYRZLIFDURP-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001275878657 1104941713 /nfs/dbraw/zinc/94/17/13/1104941713.db2.gz GJNBYRZLIFDURP-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275894430 1104947247 /nfs/dbraw/zinc/94/72/47/1104947247.db2.gz KABAZYFEDZQBAC-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275894430 1104947251 /nfs/dbraw/zinc/94/72/51/1104947251.db2.gz KABAZYFEDZQBAC-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275894430 1104947254 /nfs/dbraw/zinc/94/72/54/1104947254.db2.gz KABAZYFEDZQBAC-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP Fc1cccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)n1 ZINC001275957314 1104967103 /nfs/dbraw/zinc/96/71/03/1104967103.db2.gz VZHDPEZOLPROEG-UHFFFAOYSA-N 2 1 303.425 3.061 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)c(F)cc3Cl)C[C@H]2CC1 ZINC001275998335 1104983522 /nfs/dbraw/zinc/98/35/22/1104983522.db2.gz VPNCCPQPRBCGED-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3Cl)C[C@H]2CC1 ZINC001275998335 1104983527 /nfs/dbraw/zinc/98/35/27/1104983527.db2.gz VPNCCPQPRBCGED-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3Cl)C[C@H]2CC1 ZINC001275998335 1104983531 /nfs/dbraw/zinc/98/35/31/1104983531.db2.gz VPNCCPQPRBCGED-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276013834 1104988906 /nfs/dbraw/zinc/98/89/06/1104988906.db2.gz YXCONJLPTOIESV-UHFFFAOYSA-N 2 1 324.509 3.308 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1C[C@H]1C)C2 ZINC001276030293 1104991202 /nfs/dbraw/zinc/99/12/02/1104991202.db2.gz CPCKQPCRFPOBNQ-KYJSFNMBSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1C[C@H]1C)C2 ZINC001276030293 1104991207 /nfs/dbraw/zinc/99/12/07/1104991207.db2.gz CPCKQPCRFPOBNQ-KYJSFNMBSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1C[C@H]1C)C2 ZINC001276030293 1104991212 /nfs/dbraw/zinc/99/12/12/1104991212.db2.gz CPCKQPCRFPOBNQ-KYJSFNMBSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1C[C@H]1C)C2 ZINC001276030293 1104991215 /nfs/dbraw/zinc/99/12/15/1104991215.db2.gz CPCKQPCRFPOBNQ-KYJSFNMBSA-N 2 1 319.518 3.395 20 0 DGADMP c1[nH]c2ccncc2c1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276129847 1105025212 /nfs/dbraw/zinc/02/52/12/1105025212.db2.gz UBGKRIBACQRURR-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276129847 1105025214 /nfs/dbraw/zinc/02/52/14/1105025214.db2.gz UBGKRIBACQRURR-UHFFFAOYSA-N 3 1 324.472 3.403 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc2)n1 ZINC001248766245 1105158565 /nfs/dbraw/zinc/15/85/65/1105158565.db2.gz JPIAMCZAGNVHBY-UHFFFAOYSA-N 2 1 312.461 3.005 20 0 DGADMP Cn1ccc(-c2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc2)n1 ZINC001248766245 1105158567 /nfs/dbraw/zinc/15/85/67/1105158567.db2.gz JPIAMCZAGNVHBY-UHFFFAOYSA-N 2 1 312.461 3.005 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cs1 ZINC001248802661 1105165431 /nfs/dbraw/zinc/16/54/31/1105165431.db2.gz OGAYXNQQIKCGLL-UHFFFAOYSA-N 2 1 301.459 3.499 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1coc(-c3ccc(F)cc3)n1)CC2 ZINC001248855731 1105179966 /nfs/dbraw/zinc/17/99/66/1105179966.db2.gz KKUYKZZZRQRALI-UHFFFAOYSA-N 2 1 315.392 3.008 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC[N@@H+]3C(C)(C)C)n2)cc1 ZINC001249233564 1105252619 /nfs/dbraw/zinc/25/26/19/1105252619.db2.gz BNOKSBBONWDUPA-HNNXBMFYSA-N 2 1 314.433 3.344 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC[N@H+]3C(C)(C)C)n2)cc1 ZINC001249233564 1105252623 /nfs/dbraw/zinc/25/26/23/1105252623.db2.gz BNOKSBBONWDUPA-HNNXBMFYSA-N 2 1 314.433 3.344 20 0 DGADMP CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001278516882 1105295556 /nfs/dbraw/zinc/29/55/56/1105295556.db2.gz XHDXJDWZBNWWQS-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001278516882 1105295558 /nfs/dbraw/zinc/29/55/58/1105295558.db2.gz XHDXJDWZBNWWQS-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001278516882 1105295560 /nfs/dbraw/zinc/29/55/60/1105295560.db2.gz XHDXJDWZBNWWQS-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP c1cc2cc(NC3=CC[C@@H]([NH+]4CCOCC4)CC3)ccc2c[nH+]1 ZINC001249554376 1105312372 /nfs/dbraw/zinc/31/23/72/1105312372.db2.gz AZCQHJVYAGBUIG-LJQANCHMSA-N 2 1 309.413 3.415 20 0 DGADMP CCOc1ccncc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001139631247 1105532411 /nfs/dbraw/zinc/53/24/11/1105532411.db2.gz TVWXMAFOHYZLKP-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001251769468 1105693182 /nfs/dbraw/zinc/69/31/82/1105693182.db2.gz TVTNHUYOCVFXCS-BURFUSLBSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001251769468 1105693186 /nfs/dbraw/zinc/69/31/86/1105693186.db2.gz TVTNHUYOCVFXCS-BURFUSLBSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001251769468 1105693189 /nfs/dbraw/zinc/69/31/89/1105693189.db2.gz TVTNHUYOCVFXCS-BURFUSLBSA-N 2 1 322.518 3.051 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)CSC(C)(C)C ZINC001251862291 1105702949 /nfs/dbraw/zinc/70/29/49/1105702949.db2.gz KWFXTYVXNKQWIZ-UHFFFAOYSA-N 2 1 304.419 3.046 20 0 DGADMP CCCC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001252089604 1105736516 /nfs/dbraw/zinc/73/65/16/1105736516.db2.gz CYHVKOUXXMSZSZ-SFHVURJKSA-N 2 1 320.477 3.119 20 0 DGADMP CCCC[C@@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001252121490 1105744453 /nfs/dbraw/zinc/74/44/53/1105744453.db2.gz HFMGGXDHRNLLJB-GOSISDBHSA-N 2 1 304.478 3.182 20 0 DGADMP CCC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252789829 1105831770 /nfs/dbraw/zinc/83/17/70/1105831770.db2.gz OSEDPNNEJGDATR-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252789829 1105831775 /nfs/dbraw/zinc/83/17/75/1105831775.db2.gz OSEDPNNEJGDATR-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252789829 1105831778 /nfs/dbraw/zinc/83/17/78/1105831778.db2.gz OSEDPNNEJGDATR-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916619 1105853946 /nfs/dbraw/zinc/85/39/46/1105853946.db2.gz GAFYWEDNGFFBRK-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916619 1105853951 /nfs/dbraw/zinc/85/39/51/1105853951.db2.gz GAFYWEDNGFFBRK-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916619 1105853957 /nfs/dbraw/zinc/85/39/57/1105853957.db2.gz GAFYWEDNGFFBRK-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)CC ZINC001252916619 1105853963 /nfs/dbraw/zinc/85/39/63/1105853963.db2.gz GAFYWEDNGFFBRK-IEBWSBKVSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@](O)(C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001253101590 1105888275 /nfs/dbraw/zinc/88/82/75/1105888275.db2.gz UTZKLTIWPFDIJP-VQTJNVASSA-N 2 1 316.489 3.235 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC001253203858 1105902647 /nfs/dbraw/zinc/90/26/47/1105902647.db2.gz XQZMJFGLTXQGGL-NVXWUHKLSA-N 2 1 300.446 3.193 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC001253209575 1105903695 /nfs/dbraw/zinc/90/36/95/1105903695.db2.gz GKZGJNMXKXCVNO-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC001253216568 1105904533 /nfs/dbraw/zinc/90/45/33/1105904533.db2.gz NPTHMVRGLFNNNC-SUMWQHHRSA-N 2 1 310.869 3.010 20 0 DGADMP CCCCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001253528547 1105950184 /nfs/dbraw/zinc/95/01/84/1105950184.db2.gz NYNYYKCLWADCPE-ZACQAIPSSA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001253528545 1105950403 /nfs/dbraw/zinc/95/04/03/1105950403.db2.gz NYNYYKCLWADCPE-IXDOHACOSA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001253528545 1105950409 /nfs/dbraw/zinc/95/04/09/1105950409.db2.gz NYNYYKCLWADCPE-IXDOHACOSA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253528545 1105950415 /nfs/dbraw/zinc/95/04/15/1105950415.db2.gz NYNYYKCLWADCPE-IXDOHACOSA-N 2 1 322.518 3.053 20 0 DGADMP CCCCC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253528545 1105950421 /nfs/dbraw/zinc/95/04/21/1105950421.db2.gz NYNYYKCLWADCPE-IXDOHACOSA-N 2 1 322.518 3.053 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC001253581579 1105961778 /nfs/dbraw/zinc/96/17/78/1105961778.db2.gz XPZCXIWWPDTKKJ-FXAWDEMLSA-N 2 1 316.489 3.338 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC001254111848 1106019101 /nfs/dbraw/zinc/01/91/01/1106019101.db2.gz YMSPSERAWZQWGO-CJNGLKHVSA-N 2 1 310.869 3.211 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001254497125 1106082512 /nfs/dbraw/zinc/08/25/12/1106082512.db2.gz FIICZJHXTYKDRF-OAHLLOKOSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001254499696 1106083930 /nfs/dbraw/zinc/08/39/30/1106083930.db2.gz NRQPBDMXYZNDRN-QGZVFWFLSA-N 2 1 318.461 3.216 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCC[N@H+](C)CC3)cc2)n1 ZINC001254501643 1106084210 /nfs/dbraw/zinc/08/42/10/1106084210.db2.gz XDVXSIKUOTYKSF-SFHVURJKSA-N 2 1 312.461 3.063 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001254506750 1106085719 /nfs/dbraw/zinc/08/57/19/1106085719.db2.gz ZBZWZGAEUOTHJG-BXUZGUMPSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001254506917 1106085978 /nfs/dbraw/zinc/08/59/78/1106085978.db2.gz CSDRXGLTVLWVJA-SFHVURJKSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001254515107 1106088368 /nfs/dbraw/zinc/08/83/68/1106088368.db2.gz SXPNUBZQOZAAKU-ARFHVFGLSA-N 2 1 323.278 3.379 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001254515110 1106088999 /nfs/dbraw/zinc/08/89/99/1106088999.db2.gz SXPNUBZQOZAAKU-XHSDSOJGSA-N 2 1 323.278 3.379 20 0 DGADMP Cc1ccc(O[C@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254523022 1106091254 /nfs/dbraw/zinc/09/12/54/1106091254.db2.gz LVEGNMFYCXAUIJ-HKUYNNGSSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523022 1106091259 /nfs/dbraw/zinc/09/12/59/1106091259.db2.gz LVEGNMFYCXAUIJ-HKUYNNGSSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523022 1106091262 /nfs/dbraw/zinc/09/12/62/1106091262.db2.gz LVEGNMFYCXAUIJ-HKUYNNGSSA-N 2 1 302.462 3.323 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254526973 1106093745 /nfs/dbraw/zinc/09/37/45/1106093745.db2.gz VBCIPXHMXWXDIR-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254526973 1106093752 /nfs/dbraw/zinc/09/37/52/1106093752.db2.gz VBCIPXHMXWXDIR-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254526973 1106093756 /nfs/dbraw/zinc/09/37/56/1106093756.db2.gz VBCIPXHMXWXDIR-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1)c1ccccc1 ZINC001254922080 1106155322 /nfs/dbraw/zinc/15/53/22/1106155322.db2.gz KRUTUSNKQMLPHX-BXWFABGCSA-N 2 1 300.446 3.027 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254942940 1106158327 /nfs/dbraw/zinc/15/83/27/1106158327.db2.gz ZDZJUWTYOJHQOA-KCYZZUKISA-N 2 1 304.478 3.259 20 0 DGADMP Cc1ccc[nH+]c1N(C1Cc2ccccc2C1)C1CC[NH2+]CC1 ZINC001255029007 1106169828 /nfs/dbraw/zinc/16/98/28/1106169828.db2.gz GKDJYYZFPWSSDX-UHFFFAOYSA-N 2 1 307.441 3.116 20 0 DGADMP Cc1ccccc1C[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255036860 1106171480 /nfs/dbraw/zinc/17/14/80/1106171480.db2.gz KXUXQRGDHZEQEW-IYARVYRRSA-N 2 1 302.462 3.246 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCSCC2)CC1 ZINC001255092438 1106177064 /nfs/dbraw/zinc/17/70/64/1106177064.db2.gz ARCPBUNPZNIZFI-UHFFFAOYSA-N 2 1 304.503 3.478 20 0 DGADMP [NH2+]=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC001255099424 1106179332 /nfs/dbraw/zinc/17/93/32/1106179332.db2.gz FWBUMTXGBVXOMG-HNNXBMFYSA-N 2 1 315.367 3.154 20 0 DGADMP [NH2+]=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC001255099424 1106179334 /nfs/dbraw/zinc/17/93/34/1106179334.db2.gz FWBUMTXGBVXOMG-HNNXBMFYSA-N 2 1 315.367 3.154 20 0 DGADMP OCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001255126634 1106184824 /nfs/dbraw/zinc/18/48/24/1106184824.db2.gz OSNHAHQWRVPOAT-REPLKXPHSA-N 2 1 314.473 3.077 20 0 DGADMP CC(C)(O)C(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133527 1106186345 /nfs/dbraw/zinc/18/63/45/1106186345.db2.gz UEXFFRUFZSMCIH-NNZMDNLPSA-N 2 1 316.489 3.321 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001255137783 1106187977 /nfs/dbraw/zinc/18/79/77/1106187977.db2.gz XISVGIOZZVEWOC-LMCOJAPRSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001255137783 1106187982 /nfs/dbraw/zinc/18/79/82/1106187982.db2.gz XISVGIOZZVEWOC-LMCOJAPRSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001255137783 1106187988 /nfs/dbraw/zinc/18/79/88/1106187988.db2.gz XISVGIOZZVEWOC-LMCOJAPRSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H](C)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151347 1106190404 /nfs/dbraw/zinc/19/04/04/1106190404.db2.gz XDZJEFNJIIECFA-QLIIJSOBSA-N 2 1 314.473 3.149 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@@H]4CCSC4)C3)C2)cc1 ZINC001255290931 1106216351 /nfs/dbraw/zinc/21/63/51/1106216351.db2.gz NVHAKTANMDWMDS-QZTJIDSGSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@@H]4CCSC4)C3)C2)cc1 ZINC001255290931 1106216354 /nfs/dbraw/zinc/21/63/54/1106216354.db2.gz NVHAKTANMDWMDS-QZTJIDSGSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@@H]4CCSC4)C3)C2)cc1 ZINC001255290931 1106216358 /nfs/dbraw/zinc/21/63/58/1106216358.db2.gz NVHAKTANMDWMDS-QZTJIDSGSA-N 2 1 302.487 3.090 20 0 DGADMP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255315922 1106220986 /nfs/dbraw/zinc/22/09/86/1106220986.db2.gz CQFRPUBIYNMERF-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255315922 1106220992 /nfs/dbraw/zinc/22/09/92/1106220992.db2.gz CQFRPUBIYNMERF-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001255324145 1106221847 /nfs/dbraw/zinc/22/18/47/1106221847.db2.gz AGSLFGSNLMSLFF-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001255324145 1106221851 /nfs/dbraw/zinc/22/18/51/1106221851.db2.gz AGSLFGSNLMSLFF-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP c1ncc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC001255376213 1106235417 /nfs/dbraw/zinc/23/54/17/1106235417.db2.gz AINFCSAWRQYFFX-INIZCTEOSA-N 2 1 301.459 3.287 20 0 DGADMP c1ncc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001255376213 1106235419 /nfs/dbraw/zinc/23/54/19/1106235419.db2.gz AINFCSAWRQYFFX-INIZCTEOSA-N 2 1 301.459 3.287 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380449 1106236940 /nfs/dbraw/zinc/23/69/40/1106236940.db2.gz KIZDWXPGTUCLMU-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP CCOC(C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)OCC ZINC001255381965 1106237061 /nfs/dbraw/zinc/23/70/61/1106237061.db2.gz AFIVHLJUTMHIOA-SFHVURJKSA-N 2 1 320.477 3.030 20 0 DGADMP OCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384228 1106237723 /nfs/dbraw/zinc/23/77/23/1106237723.db2.gz WFSZNUQJQIBJNG-OAQYLSRUSA-N 2 1 324.468 3.323 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397063 1106241829 /nfs/dbraw/zinc/24/18/29/1106241829.db2.gz DLHTWYHYVQDFJC-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399216 1106242826 /nfs/dbraw/zinc/24/28/26/1106242826.db2.gz OYLLBYOHWZADRJ-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001255399435 1106243617 /nfs/dbraw/zinc/24/36/17/1106243617.db2.gz RVKWVFKFEOKOKM-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001255399435 1106243619 /nfs/dbraw/zinc/24/36/19/1106243619.db2.gz RVKWVFKFEOKOKM-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001255399435 1106243622 /nfs/dbraw/zinc/24/36/22/1106243622.db2.gz RVKWVFKFEOKOKM-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255399614 1106244108 /nfs/dbraw/zinc/24/41/08/1106244108.db2.gz WBXATSVOXBAHOL-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255399614 1106244110 /nfs/dbraw/zinc/24/41/10/1106244110.db2.gz WBXATSVOXBAHOL-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC001255399614 1106244113 /nfs/dbraw/zinc/24/41/13/1106244113.db2.gz WBXATSVOXBAHOL-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255399614 1106244117 /nfs/dbraw/zinc/24/41/17/1106244117.db2.gz WBXATSVOXBAHOL-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+](C)[C@@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255401856 1106244482 /nfs/dbraw/zinc/24/44/82/1106244482.db2.gz DBSYHYIUOFPQQN-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[NH+]1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255402848 1106245284 /nfs/dbraw/zinc/24/52/84/1106245284.db2.gz BEUXMNKEUVIMBF-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP FC[C@H]1[C@@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255408726 1106246368 /nfs/dbraw/zinc/24/63/68/1106246368.db2.gz PPDCLJOYXOPCQV-MKXGPGLRSA-N 2 1 302.437 3.188 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255408726 1106246371 /nfs/dbraw/zinc/24/63/71/1106246371.db2.gz PPDCLJOYXOPCQV-MKXGPGLRSA-N 2 1 302.437 3.188 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255408726 1106246374 /nfs/dbraw/zinc/24/63/74/1106246374.db2.gz PPDCLJOYXOPCQV-MKXGPGLRSA-N 2 1 302.437 3.188 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001255408586 1106247113 /nfs/dbraw/zinc/24/71/13/1106247113.db2.gz OFDBORDKPDEJQE-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001255408586 1106247116 /nfs/dbraw/zinc/24/71/16/1106247116.db2.gz OFDBORDKPDEJQE-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001255408586 1106247120 /nfs/dbraw/zinc/24/71/20/1106247120.db2.gz OFDBORDKPDEJQE-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP Cc1cc2c(s1)N([C@@H]1CC[N@H+](C)C1)c1ccccc1NC2=N ZINC001255413397 1106248408 /nfs/dbraw/zinc/24/84/08/1106248408.db2.gz ZLFKOWDTKZWZGP-GFCCVEGCSA-N 2 1 312.442 3.249 20 0 DGADMP Cc1cc2c(s1)N([C@@H]1CC[N@@H+](C)C1)c1ccccc1NC2=[NH2+] ZINC001255413397 1106248412 /nfs/dbraw/zinc/24/84/12/1106248412.db2.gz ZLFKOWDTKZWZGP-GFCCVEGCSA-N 2 1 312.442 3.249 20 0 DGADMP Cc1cc2c(s1)N([C@@H]1CC[N@H+](C)C1)c1ccccc1NC2=[NH2+] ZINC001255413397 1106248415 /nfs/dbraw/zinc/24/84/15/1106248415.db2.gz ZLFKOWDTKZWZGP-GFCCVEGCSA-N 2 1 312.442 3.249 20 0 DGADMP C[N@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001255441273 1106250428 /nfs/dbraw/zinc/25/04/28/1106250428.db2.gz NEIRKZCVWDKXFG-AWEZNQCLSA-N 2 1 301.409 3.124 20 0 DGADMP COC1CCC([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255462827 1106254194 /nfs/dbraw/zinc/25/41/94/1106254194.db2.gz CVTGXJFBHOXMIO-HDYDNRTBSA-N 2 1 316.489 3.398 20 0 DGADMP COC1CCC([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255462827 1106254197 /nfs/dbraw/zinc/25/41/97/1106254197.db2.gz CVTGXJFBHOXMIO-HDYDNRTBSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001255542063 1106266700 /nfs/dbraw/zinc/26/67/00/1106266700.db2.gz YVTLCKXAGCRXRY-KRWDZBQOSA-N 2 1 306.494 3.284 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCO1 ZINC001255542063 1106266704 /nfs/dbraw/zinc/26/67/04/1106266704.db2.gz YVTLCKXAGCRXRY-KRWDZBQOSA-N 2 1 306.494 3.284 20 0 DGADMP COC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001255571890 1106271655 /nfs/dbraw/zinc/27/16/55/1106271655.db2.gz QFECJXWIZTTZFP-HNNXBMFYSA-N 2 1 308.491 3.071 20 0 DGADMP COC[C@@H](C)[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001255583857 1106273535 /nfs/dbraw/zinc/27/35/35/1106273535.db2.gz SIOPRHBAZCZTEN-GOSISDBHSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)CC(F)(F)F)CC2)cc1 ZINC001255643410 1106282778 /nfs/dbraw/zinc/28/27/78/1106282778.db2.gz FVMQUCURQAFCPY-GFCCVEGCSA-N 2 1 316.367 3.286 20 0 DGADMP C[C@H](CC(F)(F)F)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255644983 1106284007 /nfs/dbraw/zinc/28/40/07/1106284007.db2.gz XYUHFDMXXFNGJF-UMVBOHGHSA-N 2 1 315.383 3.494 20 0 DGADMP COc1cccc2c(C[NH3+])cn(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c21 ZINC001255672107 1106292044 /nfs/dbraw/zinc/29/20/44/1106292044.db2.gz ZVEMHRPDLABCKY-XYPWUTKMSA-N 2 1 313.445 3.296 20 0 DGADMP COc1cnccc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255677386 1106292564 /nfs/dbraw/zinc/29/25/64/1106292564.db2.gz SECGAWFPZQTAEQ-IYHXRUFHSA-N 2 1 315.461 3.146 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC001255680184 1106293502 /nfs/dbraw/zinc/29/35/02/1106293502.db2.gz JKUAPVPTBCDQDQ-YOFSQIOKSA-N 3 1 319.537 3.056 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001255680184 1106293506 /nfs/dbraw/zinc/29/35/06/1106293506.db2.gz JKUAPVPTBCDQDQ-YOFSQIOKSA-N 3 1 319.537 3.056 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C3CCCCCC3)C2)C1 ZINC001255888655 1106339230 /nfs/dbraw/zinc/33/92/30/1106339230.db2.gz PUIVKRDSYVLSSL-UYAOXDASSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C3CCCCCC3)C2)C1 ZINC001255888655 1106339233 /nfs/dbraw/zinc/33/92/33/1106339233.db2.gz PUIVKRDSYVLSSL-UYAOXDASSA-N 2 1 320.521 3.390 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)C2CCCCCC2)nc(C)[nH+]1 ZINC001255893694 1106340474 /nfs/dbraw/zinc/34/04/74/1106340474.db2.gz KJBICNKWDRUSMA-UHFFFAOYSA-N 2 1 302.466 3.375 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(c2ccc(C(=O)OC)cc2)CC1 ZINC001255940574 1106345053 /nfs/dbraw/zinc/34/50/53/1106345053.db2.gz DPQSNNDNAXKIEF-OAHLLOKOSA-N 2 1 318.461 3.172 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC001255941233 1106345556 /nfs/dbraw/zinc/34/55/56/1106345556.db2.gz LVAUMRQAQSXURK-GJZGRUSLSA-N 2 1 306.450 3.229 20 0 DGADMP CC[NH+](CC)CC[C@H](C)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001255946377 1106346230 /nfs/dbraw/zinc/34/62/30/1106346230.db2.gz UHILQWJTPOEDOZ-AWEZNQCLSA-N 2 1 301.434 3.076 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1c(=O)[nH]c(C)c2c1CCCC2 ZINC001255947058 1106346582 /nfs/dbraw/zinc/34/65/82/1106346582.db2.gz NDHPSABMVJHIMQ-CQSZACIVSA-N 2 1 319.493 3.184 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H](O)c1cc2ccccc2o1 ZINC001255951968 1106348391 /nfs/dbraw/zinc/34/83/91/1106348391.db2.gz LNMLUPGSBUSROY-HOCLYGCPSA-N 2 1 304.434 3.176 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc2nnc(C(C)C)n2c1 ZINC001255953842 1106349012 /nfs/dbraw/zinc/34/90/12/1106349012.db2.gz PRWNWUWTNMLHPI-HNNXBMFYSA-N 2 1 317.481 3.063 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1cccnc1OC)C1CC1 ZINC001255954570 1106349145 /nfs/dbraw/zinc/34/91/45/1106349145.db2.gz XTTSRLSPLYTSAZ-RHSMWYFYSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255956088 1106349962 /nfs/dbraw/zinc/34/99/62/1106349962.db2.gz GYZHORJPMPXDRH-AZUAARDMSA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2OC)C1 ZINC001255961804 1106351047 /nfs/dbraw/zinc/35/10/47/1106351047.db2.gz QPZPSWNUICYTGA-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](Oc2ccccc2OC)C1 ZINC001255961804 1106351050 /nfs/dbraw/zinc/35/10/50/1106351050.db2.gz QPZPSWNUICYTGA-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001255965381 1106351164 /nfs/dbraw/zinc/35/11/64/1106351164.db2.gz FOUNHYVRRYPQHH-CVEARBPZSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001255973045 1106353107 /nfs/dbraw/zinc/35/31/07/1106353107.db2.gz XINHLPBBOBJNLB-AEFFLSMTSA-N 2 1 302.462 3.312 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001255973045 1106353112 /nfs/dbraw/zinc/35/31/12/1106353112.db2.gz XINHLPBBOBJNLB-AEFFLSMTSA-N 2 1 302.462 3.312 20 0 DGADMP COc1cccc(CC(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256072232 1106364204 /nfs/dbraw/zinc/36/42/04/1106364204.db2.gz LWAQZFCIHFJFJB-UHFFFAOYSA-N 2 1 316.489 3.480 20 0 DGADMP CSc1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256069908 1106364318 /nfs/dbraw/zinc/36/43/18/1106364318.db2.gz RALHSKBTJTUXPI-UHFFFAOYSA-N 2 1 306.475 3.004 20 0 DGADMP c1cc2cccc(OCC[NH2+]C3CC[NH+](C4CC4)CC3)c2o1 ZINC001256074442 1106364955 /nfs/dbraw/zinc/36/49/55/1106364955.db2.gz ZADHMWALMXGHRJ-UHFFFAOYSA-N 2 1 300.402 3.028 20 0 DGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001256072727 1106365612 /nfs/dbraw/zinc/36/56/12/1106365612.db2.gz VHKHJELLBODTBD-UHFFFAOYSA-N 3 1 319.537 3.105 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001256150137 1106379060 /nfs/dbraw/zinc/37/90/60/1106379060.db2.gz WNRYRAHWHNGNGR-OWLYRPNTSA-N 2 1 302.462 3.231 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001256150137 1106379063 /nfs/dbraw/zinc/37/90/63/1106379063.db2.gz WNRYRAHWHNGNGR-OWLYRPNTSA-N 2 1 302.462 3.231 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(OC)c2)C1 ZINC001256153286 1106379586 /nfs/dbraw/zinc/37/95/86/1106379586.db2.gz WDAXEKBAQHIKNM-RDJZCZTQSA-N 2 1 304.478 3.479 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001256167426 1106382377 /nfs/dbraw/zinc/38/23/77/1106382377.db2.gz LCTNWVKWNKZVRO-INIZCTEOSA-N 2 1 302.462 3.044 20 0 DGADMP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001256366443 1106410952 /nfs/dbraw/zinc/41/09/52/1106410952.db2.gz XQMUQYKUSGARAE-OKZBNKHCSA-N 2 1 301.478 3.270 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520866 1106433349 /nfs/dbraw/zinc/43/33/49/1106433349.db2.gz VCPIJPRACVNZGF-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520866 1106433351 /nfs/dbraw/zinc/43/33/51/1106433351.db2.gz VCPIJPRACVNZGF-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520866 1106433354 /nfs/dbraw/zinc/43/33/54/1106433354.db2.gz VCPIJPRACVNZGF-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537299 1106436524 /nfs/dbraw/zinc/43/65/24/1106436524.db2.gz NUCDRHZRTOIHRK-IZBJGVDFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537299 1106436528 /nfs/dbraw/zinc/43/65/28/1106436528.db2.gz NUCDRHZRTOIHRK-IZBJGVDFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536599 1106437113 /nfs/dbraw/zinc/43/71/13/1106437113.db2.gz KTYPUTRRBHUYCN-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536599 1106437114 /nfs/dbraw/zinc/43/71/14/1106437114.db2.gz KTYPUTRRBHUYCN-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536599 1106437115 /nfs/dbraw/zinc/43/71/15/1106437115.db2.gz KTYPUTRRBHUYCN-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536599 1106437117 /nfs/dbraw/zinc/43/71/17/1106437117.db2.gz KTYPUTRRBHUYCN-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540502 1106437883 /nfs/dbraw/zinc/43/78/83/1106437883.db2.gz IQJIUOXQROEOMI-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540502 1106437885 /nfs/dbraw/zinc/43/78/85/1106437885.db2.gz IQJIUOXQROEOMI-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540502 1106437888 /nfs/dbraw/zinc/43/78/88/1106437888.db2.gz IQJIUOXQROEOMI-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540502 1106437889 /nfs/dbraw/zinc/43/78/89/1106437889.db2.gz IQJIUOXQROEOMI-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543885 1106439084 /nfs/dbraw/zinc/43/90/84/1106439084.db2.gz VCFBLIWASVRJMT-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543885 1106439088 /nfs/dbraw/zinc/43/90/88/1106439088.db2.gz VCFBLIWASVRJMT-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543885 1106439089 /nfs/dbraw/zinc/43/90/89/1106439089.db2.gz VCFBLIWASVRJMT-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543885 1106439092 /nfs/dbraw/zinc/43/90/92/1106439092.db2.gz VCFBLIWASVRJMT-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551129 1106441308 /nfs/dbraw/zinc/44/13/08/1106441308.db2.gz PVUJTDOLPHNHMZ-HOJAQTOUSA-N 2 1 315.505 3.066 20 0 DGADMP CCN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552256 1106441454 /nfs/dbraw/zinc/44/14/54/1106441454.db2.gz ATMKDIPJSZWKMP-AZUAARDMSA-N 3 1 317.521 3.313 20 0 DGADMP CC[N@H+](CC(C)(C)O)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554196 1106442899 /nfs/dbraw/zinc/44/28/99/1106442899.db2.gz OKTRSNGVCCCXMZ-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554196 1106442902 /nfs/dbraw/zinc/44/29/02/1106442902.db2.gz OKTRSNGVCCCXMZ-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554196 1106442904 /nfs/dbraw/zinc/44/29/04/1106442904.db2.gz OKTRSNGVCCCXMZ-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554196 1106442906 /nfs/dbraw/zinc/44/29/06/1106442906.db2.gz OKTRSNGVCCCXMZ-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP COC[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556697 1106443468 /nfs/dbraw/zinc/44/34/68/1106443468.db2.gz GJQJYZQLXFRUED-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556697 1106443470 /nfs/dbraw/zinc/44/34/70/1106443470.db2.gz GJQJYZQLXFRUED-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556697 1106443471 /nfs/dbraw/zinc/44/34/71/1106443471.db2.gz GJQJYZQLXFRUED-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556697 1106443473 /nfs/dbraw/zinc/44/34/73/1106443473.db2.gz GJQJYZQLXFRUED-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556293 1106443920 /nfs/dbraw/zinc/44/39/20/1106443920.db2.gz YLZFRKYRISTIGW-SCQOQHIRSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556293 1106443922 /nfs/dbraw/zinc/44/39/22/1106443922.db2.gz YLZFRKYRISTIGW-SCQOQHIRSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556293 1106443924 /nfs/dbraw/zinc/44/39/24/1106443924.db2.gz YLZFRKYRISTIGW-SCQOQHIRSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556293 1106443926 /nfs/dbraw/zinc/44/39/26/1106443926.db2.gz YLZFRKYRISTIGW-SCQOQHIRSA-N 2 1 314.473 3.006 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560901 1106444611 /nfs/dbraw/zinc/44/46/11/1106444611.db2.gz UQAHFJRSVVOSSN-MDZRGWNJSA-N 2 1 302.462 3.006 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560901 1106444614 /nfs/dbraw/zinc/44/46/14/1106444614.db2.gz UQAHFJRSVVOSSN-MDZRGWNJSA-N 2 1 302.462 3.006 20 0 DGADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001256565265 1106445734 /nfs/dbraw/zinc/44/57/34/1106445734.db2.gz BXRLGXUTULINRB-IBGZPJMESA-N 2 1 321.553 3.494 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ncccc43)CC2)cc1 ZINC001256600867 1106451865 /nfs/dbraw/zinc/45/18/65/1106451865.db2.gz ILMWLIFEOGXTJM-FQEVSTJZSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001256604258 1106452520 /nfs/dbraw/zinc/45/25/20/1106452520.db2.gz NSESVCWCLSGRCN-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604436 1106452688 /nfs/dbraw/zinc/45/26/88/1106452688.db2.gz LVOHSIWCOGMVFV-IZAXUBKRSA-N 2 1 302.462 3.198 20 0 DGADMP COc1cccc(CC(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256619797 1106454996 /nfs/dbraw/zinc/45/49/96/1106454996.db2.gz IUOAATLMPRRKHK-AYHJJNSGSA-N 2 1 316.489 3.479 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)CCC2 ZINC001256630379 1106456910 /nfs/dbraw/zinc/45/69/10/1106456910.db2.gz CLNBMXCMALLKPO-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC001256630379 1106456913 /nfs/dbraw/zinc/45/69/13/1106456913.db2.gz CLNBMXCMALLKPO-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001256630379 1106456918 /nfs/dbraw/zinc/45/69/18/1106456918.db2.gz CLNBMXCMALLKPO-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001256636770 1106459312 /nfs/dbraw/zinc/45/93/12/1106459312.db2.gz FYAAPXNOIPJTTI-ZJPYXAASSA-N 2 1 314.473 3.157 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001256636770 1106459313 /nfs/dbraw/zinc/45/93/13/1106459313.db2.gz FYAAPXNOIPJTTI-ZJPYXAASSA-N 2 1 314.473 3.157 20 0 DGADMP Cc1ccc(C[N@H+](C)C2CCC([NH+]3CCOCC3)CC2)cc1C ZINC001256696910 1106470380 /nfs/dbraw/zinc/47/03/80/1106470380.db2.gz PVJNXTNOSXHPHL-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP C[N@@H+](Cc1ccccc1Cl)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695338 1106470496 /nfs/dbraw/zinc/47/04/96/1106470496.db2.gz WPNSIHGHBCUQNP-UHFFFAOYSA-N 2 1 322.880 3.415 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256730882 1106475255 /nfs/dbraw/zinc/47/52/55/1106475255.db2.gz IUHYXRQWEZSIKN-QRFRQXIXSA-N 2 1 324.472 3.180 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256784066 1106481919 /nfs/dbraw/zinc/48/19/19/1106481919.db2.gz BCULRNDBJWKGRX-NEWSRXKRSA-N 2 1 302.462 3.228 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256789166 1106483049 /nfs/dbraw/zinc/48/30/49/1106483049.db2.gz GCNLVPONMZITQH-XWSJACJDSA-N 2 1 302.462 3.369 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256830076 1106492637 /nfs/dbraw/zinc/49/26/37/1106492637.db2.gz NHRSOSDBZPTTDI-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256830076 1106492639 /nfs/dbraw/zinc/49/26/39/1106492639.db2.gz NHRSOSDBZPTTDI-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256830076 1106492642 /nfs/dbraw/zinc/49/26/42/1106492642.db2.gz NHRSOSDBZPTTDI-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256847896 1106496559 /nfs/dbraw/zinc/49/65/59/1106496559.db2.gz DXACXOQTBWZPRL-UHFFFAOYSA-N 3 1 316.493 3.034 20 0 DGADMP [NH3+]CCCN(C1CCCCC1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256897234 1106504866 /nfs/dbraw/zinc/50/48/66/1106504866.db2.gz HKAZXQFXMMMHKX-IBGZPJMESA-N 2 1 307.526 3.377 20 0 DGADMP C[NH+](C)[C@@H](CN[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899183 1106505198 /nfs/dbraw/zinc/50/51/98/1106505198.db2.gz RVSLTWBLJNZTEX-ICSRJNTNSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](C)[C@@H](CN[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899183 1106505202 /nfs/dbraw/zinc/50/52/02/1106505202.db2.gz RVSLTWBLJNZTEX-ICSRJNTNSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901686 1106505684 /nfs/dbraw/zinc/50/56/84/1106505684.db2.gz IPGJSCZFHIJSEG-WBVHZDCISA-N 2 1 302.462 3.492 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901686 1106505688 /nfs/dbraw/zinc/50/56/88/1106505688.db2.gz IPGJSCZFHIJSEG-WBVHZDCISA-N 2 1 302.462 3.492 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900485 1106505766 /nfs/dbraw/zinc/50/57/66/1106505766.db2.gz NHRCPHAJDUTXCV-ZWKOTPCHSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900485 1106505768 /nfs/dbraw/zinc/50/57/68/1106505768.db2.gz NHRCPHAJDUTXCV-ZWKOTPCHSA-N 3 1 309.542 3.494 20 0 DGADMP [NH3+]C1(CC2CCC2)CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256904340 1106506957 /nfs/dbraw/zinc/50/69/57/1106506957.db2.gz HCCGZXRLJVXNIN-IBGZPJMESA-N 2 1 319.537 3.377 20 0 DGADMP CC(C)(Cc1cccnc1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907839 1106509425 /nfs/dbraw/zinc/50/94/25/1106509425.db2.gz FXQWVVSDIMGAKK-KRWDZBQOSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)(Cc1cccnc1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907839 1106509429 /nfs/dbraw/zinc/50/94/29/1106509429.db2.gz FXQWVVSDIMGAKK-KRWDZBQOSA-N 2 1 301.478 3.399 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N3CCC([NH+]4CCCCC4)CC3)C2)C1 ZINC001256911282 1106510643 /nfs/dbraw/zinc/51/06/43/1106510643.db2.gz KUXCNYGOSNVCAS-HXUWFJFHSA-N 2 1 319.537 3.344 20 0 DGADMP CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256911860 1106510720 /nfs/dbraw/zinc/51/07/20/1106510720.db2.gz WFFGXXKRQQMYGX-HNNXBMFYSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256911860 1106510724 /nfs/dbraw/zinc/51/07/24/1106510724.db2.gz WFFGXXKRQQMYGX-HNNXBMFYSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)N(C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256925198 1106513259 /nfs/dbraw/zinc/51/32/59/1106513259.db2.gz RIGIBSWDLSAHKL-IBGZPJMESA-N 2 1 307.526 3.198 20 0 DGADMP COC(=O)CC1CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001256985906 1106521263 /nfs/dbraw/zinc/52/12/63/1106521263.db2.gz FAWBUEBGFLPNGL-UHFFFAOYSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257080028 1106534621 /nfs/dbraw/zinc/53/46/21/1106534621.db2.gz JPAZYUUQJDXQSA-SMTGMISWSA-N 2 1 317.477 3.110 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257085490 1106536066 /nfs/dbraw/zinc/53/60/66/1106536066.db2.gz OXPUQCATTNVFGW-SMTGMISWSA-N 2 1 317.477 3.110 20 0 DGADMP COc1cncc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)c1 ZINC001257212895 1106552334 /nfs/dbraw/zinc/55/23/34/1106552334.db2.gz BRGGEYALZWXFDQ-SFHVURJKSA-N 2 1 303.450 3.004 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001257221722 1106554224 /nfs/dbraw/zinc/55/42/24/1106554224.db2.gz DYRVQZGLYLQCME-INIZCTEOSA-N 2 1 310.482 3.055 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001257221722 1106554228 /nfs/dbraw/zinc/55/42/28/1106554228.db2.gz DYRVQZGLYLQCME-INIZCTEOSA-N 2 1 310.482 3.055 20 0 DGADMP CC(C)[NH+]1CCC(N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001257222193 1106554266 /nfs/dbraw/zinc/55/42/66/1106554266.db2.gz WKTDPPIMNSBEQM-OALUTQOASA-N 2 1 307.526 3.198 20 0 DGADMP CC[N@H+](CCc1ccc(OC)cc1)C1CC[NH+](C(C)C)CC1 ZINC001257224307 1106554549 /nfs/dbraw/zinc/55/45/49/1106554549.db2.gz XLXDPTHKFGTMOD-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1CC[NH+](C(C)C)CC1 ZINC001257224307 1106554552 /nfs/dbraw/zinc/55/45/52/1106554552.db2.gz XLXDPTHKFGTMOD-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)[NH+]1CCC([NH+]2CCC3(COc4ccccc43)CC2)CC1 ZINC001257223814 1106554640 /nfs/dbraw/zinc/55/46/40/1106554640.db2.gz DDTVBFJMKQNJKE-UHFFFAOYSA-N 2 1 314.473 3.285 20 0 DGADMP CCC(CC)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001257296034 1106561868 /nfs/dbraw/zinc/56/18/68/1106561868.db2.gz FDFVVUABANTVBN-UHFFFAOYSA-N 2 1 306.450 3.135 20 0 DGADMP CCC(CC)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001257296034 1106561871 /nfs/dbraw/zinc/56/18/71/1106561871.db2.gz FDFVVUABANTVBN-UHFFFAOYSA-N 2 1 306.450 3.135 20 0 DGADMP CCCCCC1CCC([NH2+][C@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC001257375559 1106576010 /nfs/dbraw/zinc/57/60/10/1106576010.db2.gz YZOHHVUIYFVQRI-NKELODKYSA-N 2 1 307.526 3.138 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001257393123 1106580388 /nfs/dbraw/zinc/58/03/88/1106580388.db2.gz KWQVBOWMDPEAKL-INIZCTEOSA-N 2 1 310.482 3.059 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001257391361 1106580442 /nfs/dbraw/zinc/58/04/42/1106580442.db2.gz MUMOAXNHFKPVOC-IKGGRYGDSA-N 2 1 312.498 3.207 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001257401227 1106582320 /nfs/dbraw/zinc/58/23/20/1106582320.db2.gz ANEWDANQLGLZRL-KRWDZBQOSA-N 2 1 324.509 3.449 20 0 DGADMP CCCC[C@H](CC)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001257421104 1106585643 /nfs/dbraw/zinc/58/56/43/1106585643.db2.gz SCJIFOQZIQYZHB-KRWDZBQOSA-N 2 1 318.509 3.306 20 0 DGADMP CCCCC[C@@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001257510977 1106600552 /nfs/dbraw/zinc/60/05/52/1106600552.db2.gz TXJLZUNOOKAZJJ-QGZVFWFLSA-N 2 1 318.509 3.306 20 0 DGADMP CCCCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001257519787 1106602163 /nfs/dbraw/zinc/60/21/63/1106602163.db2.gz MXWMMGUYTKEVMV-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@@H]2CCCSC2)CC1 ZINC001257665648 1106616883 /nfs/dbraw/zinc/61/68/83/1106616883.db2.gz FFVLSXREOUUMLS-DJIMGWMZSA-N 2 1 305.491 3.049 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCCSC2)CC3)co1 ZINC001257676825 1106619589 /nfs/dbraw/zinc/61/95/89/1106619589.db2.gz YVVFTMDKGXMJQC-KRWDZBQOSA-N 2 1 320.502 3.463 20 0 DGADMP CC(C)C[NH+]1CCC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1 ZINC001258003465 1106656150 /nfs/dbraw/zinc/65/61/50/1106656150.db2.gz LQRWFEDDCVNKTO-UHFFFAOYSA-N 2 1 313.445 3.076 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007530 1106656799 /nfs/dbraw/zinc/65/67/99/1106656799.db2.gz GGYAMLQFRSGCIT-IYARVYRRSA-N 3 1 307.526 3.089 20 0 DGADMP CC(C)CN1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007530 1106656801 /nfs/dbraw/zinc/65/68/01/1106656801.db2.gz GGYAMLQFRSGCIT-IYARVYRRSA-N 2 1 307.526 3.089 20 0 DGADMP CC(C)CN1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007530 1106656802 /nfs/dbraw/zinc/65/68/02/1106656802.db2.gz GGYAMLQFRSGCIT-IYARVYRRSA-N 2 1 307.526 3.089 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001258008912 1106657507 /nfs/dbraw/zinc/65/75/07/1106657507.db2.gz LAOOAUMIPGVFOT-UHFFFAOYSA-N 2 1 315.383 3.310 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001258108851 1106674608 /nfs/dbraw/zinc/67/46/08/1106674608.db2.gz BUAINIGQKPBICC-IAGOWNOFSA-N 2 1 320.477 3.205 20 0 DGADMP C[N@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145778 1106680264 /nfs/dbraw/zinc/68/02/64/1106680264.db2.gz LHLLQKXJAMDJAC-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145778 1106680265 /nfs/dbraw/zinc/68/02/65/1106680265.db2.gz LHLLQKXJAMDJAC-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258190114 1106692580 /nfs/dbraw/zinc/69/25/80/1106692580.db2.gz UPVHARPTUJNCCB-JKSUJKDBSA-N 2 1 320.477 3.222 20 0 DGADMP CSCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001258216810 1106699097 /nfs/dbraw/zinc/69/90/97/1106699097.db2.gz IQWUVZHOQVLTQW-RRFJBIMHSA-N 2 1 310.532 3.253 20 0 DGADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258405243 1106731611 /nfs/dbraw/zinc/73/16/11/1106731611.db2.gz CPJLIQPXRSCXNM-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP CCCC1CCC([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001258532772 1106802389 /nfs/dbraw/zinc/80/23/89/1106802389.db2.gz KNVMYESRPCIOKP-WZOJCFFYSA-N 2 1 307.526 3.056 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541275 1106812159 /nfs/dbraw/zinc/81/21/59/1106812159.db2.gz FKFADOHMXXSVFK-RHSMWYFYSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541275 1106812175 /nfs/dbraw/zinc/81/21/75/1106812175.db2.gz FKFADOHMXXSVFK-RHSMWYFYSA-N 2 1 321.896 3.239 20 0 DGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC(C)(C)C3)c2)CC1 ZINC001258595407 1106835442 /nfs/dbraw/zinc/83/54/42/1106835442.db2.gz VKFKRRALLUAXRI-LJQANCHMSA-N 2 1 315.505 3.102 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258603664 1106844223 /nfs/dbraw/zinc/84/42/23/1106844223.db2.gz MWGBIDAKYDJOMG-NLWGTHIKSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258603664 1106844232 /nfs/dbraw/zinc/84/42/32/1106844232.db2.gz MWGBIDAKYDJOMG-NLWGTHIKSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258603664 1106844244 /nfs/dbraw/zinc/84/42/44/1106844244.db2.gz MWGBIDAKYDJOMG-NLWGTHIKSA-N 2 1 320.521 3.245 20 0 DGADMP Cc1cc(N([C@@H]2CCC(C)(C)C2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001258608610 1106849238 /nfs/dbraw/zinc/84/92/38/1106849238.db2.gz MAGDZYUIGBZRTD-MRXNPFEDSA-N 2 1 302.466 3.231 20 0 DGADMP C[C@H](Cc1cccnc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258616760 1106854771 /nfs/dbraw/zinc/85/47/71/1106854771.db2.gz BHYIGHIKRVALEX-NSISKUIASA-N 2 1 324.472 3.180 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258698284 1106913454 /nfs/dbraw/zinc/91/34/54/1106913454.db2.gz PBTSDPZQSTZZIP-JKSUJKDBSA-N 2 1 312.498 3.018 20 0 DGADMP CCCC[C@H](Cc1ccccc1)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258710232 1106922821 /nfs/dbraw/zinc/92/28/21/1106922821.db2.gz PEVRDBTZYSTJCQ-HXUWFJFHSA-N 2 1 317.521 3.144 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)cc1F ZINC001320310460 1106956512 /nfs/dbraw/zinc/95/65/12/1106956512.db2.gz LFNMYZMXHHCZGD-JCGIZDLHSA-N 2 1 322.468 3.475 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(O)c(OC)c2)CC1 ZINC001258769644 1106964044 /nfs/dbraw/zinc/96/40/44/1106964044.db2.gz ZJJQRRQODCAKIV-UHFFFAOYSA-N 2 1 312.841 3.018 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001258773730 1106966645 /nfs/dbraw/zinc/96/66/45/1106966645.db2.gz ACCBBBNEZJRQHR-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CCC[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001258773740 1106968226 /nfs/dbraw/zinc/96/82/26/1106968226.db2.gz AKEHOWAYYNSGFN-GOSISDBHSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[NH+]1CCC(N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)CC1 ZINC001258777881 1106971235 /nfs/dbraw/zinc/97/12/35/1106971235.db2.gz LTLBUZUNLWWRRN-KRWDZBQOSA-N 2 1 307.526 3.200 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001258807761 1106992180 /nfs/dbraw/zinc/99/21/80/1106992180.db2.gz UMIMBRHVFZHOSN-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821265 1107004210 /nfs/dbraw/zinc/00/42/10/1107004210.db2.gz VLBOVZJLFKWLBS-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821265 1107004223 /nfs/dbraw/zinc/00/42/23/1107004223.db2.gz VLBOVZJLFKWLBS-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821265 1107004239 /nfs/dbraw/zinc/00/42/39/1107004239.db2.gz VLBOVZJLFKWLBS-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821265 1107004254 /nfs/dbraw/zinc/00/42/54/1107004254.db2.gz VLBOVZJLFKWLBS-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258839636 1107017722 /nfs/dbraw/zinc/01/77/22/1107017722.db2.gz IJUHZQKVTYMTGT-GOSISDBHSA-N 3 1 319.537 3.483 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258884988 1107039133 /nfs/dbraw/zinc/03/91/33/1107039133.db2.gz SZWUFNKYEOVHGC-LPHOPBHVSA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258884988 1107039149 /nfs/dbraw/zinc/03/91/49/1107039149.db2.gz SZWUFNKYEOVHGC-LPHOPBHVSA-N 2 1 316.489 3.480 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cnc2ccccn12 ZINC001258907342 1107055806 /nfs/dbraw/zinc/05/58/06/1107055806.db2.gz IYZBMDIBDKDJHL-INIZCTEOSA-N 2 1 302.466 3.277 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)Cc1ccsc1C ZINC001320636117 1107080266 /nfs/dbraw/zinc/08/02/66/1107080266.db2.gz BHJDDIAUVNWBRK-UHFFFAOYSA-N 2 1 312.398 3.127 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948395 1107198669 /nfs/dbraw/zinc/19/86/69/1107198669.db2.gz DIRZRMCYXCRQSE-HOCLYGCPSA-N 2 1 306.498 3.329 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948395 1107198674 /nfs/dbraw/zinc/19/86/74/1107198674.db2.gz DIRZRMCYXCRQSE-HOCLYGCPSA-N 2 1 306.498 3.329 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)C2)CC1 ZINC001321204654 1107286287 /nfs/dbraw/zinc/28/62/87/1107286287.db2.gz PCCKOHUGZNUVCI-QGZVFWFLSA-N 2 1 322.880 3.181 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001261213242 1107363376 /nfs/dbraw/zinc/36/33/76/1107363376.db2.gz CKKUDULATIJJTP-RTBURBONSA-N 2 1 301.478 3.118 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001317693279 1107607786 /nfs/dbraw/zinc/60/77/86/1107607786.db2.gz IYUBMEPIEQEKEC-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001317693279 1107607792 /nfs/dbraw/zinc/60/77/92/1107607792.db2.gz IYUBMEPIEQEKEC-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001317693279 1107607797 /nfs/dbraw/zinc/60/77/97/1107607797.db2.gz IYUBMEPIEQEKEC-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@@H]2C1 ZINC001262378948 1107706967 /nfs/dbraw/zinc/70/69/67/1107706967.db2.gz PABCUODGVGEWEM-MELADBBJSA-N 2 1 312.379 3.266 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001262379166 1107707064 /nfs/dbraw/zinc/70/70/64/1107707064.db2.gz SUYADGHEEIUMCQ-XYJFISCASA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@@H](NC[C@H](O)c2cccc3ccccc32)C1 ZINC001262569512 1107724645 /nfs/dbraw/zinc/72/46/45/1107724645.db2.gz ADZGDGIIIOJBFP-APWZRJJASA-N 2 1 312.457 3.336 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H](NC[C@H](O)c2cccc3ccccc32)C1 ZINC001262569512 1107724658 /nfs/dbraw/zinc/72/46/58/1107724658.db2.gz ADZGDGIIIOJBFP-APWZRJJASA-N 2 1 312.457 3.336 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC001318083758 1107829109 /nfs/dbraw/zinc/82/91/09/1107829109.db2.gz JTSBMUUQTBFMCV-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001318083758 1107829123 /nfs/dbraw/zinc/82/91/23/1107829123.db2.gz JTSBMUUQTBFMCV-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001318083758 1107829138 /nfs/dbraw/zinc/82/91/38/1107829138.db2.gz JTSBMUUQTBFMCV-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001318953123 1108250759 /nfs/dbraw/zinc/25/07/59/1108250759.db2.gz LUTAJUXMQWWJPS-BZSNNMDCSA-N 2 1 323.525 3.066 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489159 1108312182 /nfs/dbraw/zinc/31/21/82/1108312182.db2.gz OKVLQHVXGHXEDF-DJIMGWMZSA-N 2 1 316.445 3.128 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489159 1108312196 /nfs/dbraw/zinc/31/21/96/1108312196.db2.gz OKVLQHVXGHXEDF-DJIMGWMZSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489159 1108312210 /nfs/dbraw/zinc/31/22/10/1108312210.db2.gz OKVLQHVXGHXEDF-DJIMGWMZSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489159 1108312222 /nfs/dbraw/zinc/31/22/22/1108312222.db2.gz OKVLQHVXGHXEDF-DJIMGWMZSA-N 2 1 316.445 3.128 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319207400 1108366133 /nfs/dbraw/zinc/36/61/33/1108366133.db2.gz LGKJZZMAODDNAD-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1ccccc1 ZINC001324600529 1108366839 /nfs/dbraw/zinc/36/68/39/1108366839.db2.gz CVYRYXYREDJBQL-NMACRGETSA-N 2 1 324.472 3.457 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1ccccc1 ZINC001324600529 1108366853 /nfs/dbraw/zinc/36/68/53/1108366853.db2.gz CVYRYXYREDJBQL-NMACRGETSA-N 2 1 324.472 3.457 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319391556 1108443172 /nfs/dbraw/zinc/44/31/72/1108443172.db2.gz CKAUOMHUTOYZGB-COXVUDFISA-N 2 1 321.440 3.005 20 0 DGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001319562113 1108528032 /nfs/dbraw/zinc/52/80/32/1108528032.db2.gz BCTPQILDHCQAGK-FUHWJXTLSA-N 2 1 312.461 3.108 20 0 DGADMP COC(=O)c1cccc(CNCCC[N@@H+](C)C2CCCCC2)c1 ZINC001325037565 1108564661 /nfs/dbraw/zinc/56/46/61/1108564661.db2.gz ARWDRMHSHWBGHF-UHFFFAOYSA-N 2 1 318.461 3.217 20 0 DGADMP COC(=O)c1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC001325037565 1108564672 /nfs/dbraw/zinc/56/46/72/1108564672.db2.gz ARWDRMHSHWBGHF-UHFFFAOYSA-N 2 1 318.461 3.217 20 0 DGADMP COC(=O)c1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC001325037565 1108564682 /nfs/dbraw/zinc/56/46/82/1108564682.db2.gz ARWDRMHSHWBGHF-UHFFFAOYSA-N 2 1 318.461 3.217 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3N3CCCC3)CC[C@H]21 ZINC001319726163 1108612551 /nfs/dbraw/zinc/61/25/51/1108612551.db2.gz DHYFPSVXRVXGKO-PKOBYXMFSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3N3CCCC3)CC[C@H]21 ZINC001319726163 1108612557 /nfs/dbraw/zinc/61/25/57/1108612557.db2.gz DHYFPSVXRVXGKO-PKOBYXMFSA-N 2 1 313.489 3.203 20 0 DGADMP C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(CC[NH3+])cc3)sc2C1 ZINC001325317608 1108620620 /nfs/dbraw/zinc/62/06/20/1108620620.db2.gz ACODKBTVOGYTBN-CYBMUJFWSA-N 2 1 315.486 3.059 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000389083781 1108621032 /nfs/dbraw/zinc/62/10/32/1108621032.db2.gz LWPHJJKVIDTXKB-SHPPOPEUSA-N 2 1 323.278 3.049 20 0 DGADMP CS[C@H](C)CCC(=O)Nc1cnccc1-n1ccnc1C ZINC001319781413 1108632659 /nfs/dbraw/zinc/63/26/59/1108632659.db2.gz GXQFNWOMISXIMG-LLVKDONJSA-N 2 1 304.419 3.046 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1N1CCCC1 ZINC001319814785 1108648459 /nfs/dbraw/zinc/64/84/59/1108648459.db2.gz XNDPWZTWXUGPPJ-INIZCTEOSA-N 2 1 312.461 3.218 20 0 DGADMP FC(F)Oc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000389857695 1108661656 /nfs/dbraw/zinc/66/16/56/1108661656.db2.gz DPEGTSALIIZEQK-AWEZNQCLSA-N 2 1 310.388 3.252 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCSCC4)[C@H]3C2)cc1 ZINC000390819149 1108678129 /nfs/dbraw/zinc/67/81/29/1108678129.db2.gz SLMLNRVHEAYGQT-WDSOQIARSA-N 2 1 316.514 3.382 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702645594 1109084571 /nfs/dbraw/zinc/08/45/71/1109084571.db2.gz YECFXYHGVSIJCM-ICSRJNTNSA-N 2 1 318.505 3.429 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645594 1109084576 /nfs/dbraw/zinc/08/45/76/1109084576.db2.gz YECFXYHGVSIJCM-ICSRJNTNSA-N 2 1 318.505 3.429 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266237742 1109136325 /nfs/dbraw/zinc/13/63/25/1109136325.db2.gz CEMVATIKWXJVCE-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266237742 1109136328 /nfs/dbraw/zinc/13/63/28/1109136328.db2.gz CEMVATIKWXJVCE-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266237742 1109136330 /nfs/dbraw/zinc/13/63/30/1109136330.db2.gz CEMVATIKWXJVCE-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001283676436 1109671770 /nfs/dbraw/zinc/67/17/70/1109671770.db2.gz AAWRPFAFQXRYRM-HNGSOEQISA-N 2 1 323.525 3.042 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001306933063 1111252177 /nfs/dbraw/zinc/25/21/77/1111252177.db2.gz WVOOBQDMETXOKK-BETUJISGSA-N 2 1 315.383 3.302 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001306941605 1111252747 /nfs/dbraw/zinc/25/27/47/1111252747.db2.gz ILWMTQPPOAXMCE-FRRDWIJNSA-N 2 1 315.383 3.301 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001306941605 1111252749 /nfs/dbraw/zinc/25/27/49/1111252749.db2.gz ILWMTQPPOAXMCE-FRRDWIJNSA-N 2 1 315.383 3.301 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC001307496431 1111306047 /nfs/dbraw/zinc/30/60/47/1111306047.db2.gz SZCOEJMXIBJXTF-UFYCRDLUSA-N 2 1 318.505 3.264 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C(=O)OC)c2)C[C@@H]1C ZINC001307517377 1111309444 /nfs/dbraw/zinc/30/94/44/1111309444.db2.gz ZAQZICSRTFWYTC-DOTOQJQBSA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@@H]1C ZINC001307517377 1111309448 /nfs/dbraw/zinc/30/94/48/1111309448.db2.gz ZAQZICSRTFWYTC-DOTOQJQBSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@@H]1C ZINC001307517377 1111309461 /nfs/dbraw/zinc/30/94/61/1111309461.db2.gz ZAQZICSRTFWYTC-DOTOQJQBSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001307522490 1111310944 /nfs/dbraw/zinc/31/09/44/1111310944.db2.gz ZJRXJEJMWRZOHL-GUDVDZBRSA-N 2 1 320.452 3.114 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765762 1111336771 /nfs/dbraw/zinc/33/67/71/1111336771.db2.gz DKURYLZPRKZXLA-MSOLQXFVSA-N 2 1 306.494 3.327 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765762 1111336774 /nfs/dbraw/zinc/33/67/74/1111336774.db2.gz DKURYLZPRKZXLA-MSOLQXFVSA-N 2 1 306.494 3.327 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765762 1111336777 /nfs/dbraw/zinc/33/67/77/1111336777.db2.gz DKURYLZPRKZXLA-MSOLQXFVSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765762 1111336781 /nfs/dbraw/zinc/33/67/81/1111336781.db2.gz DKURYLZPRKZXLA-MSOLQXFVSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765762 1111336786 /nfs/dbraw/zinc/33/67/86/1111336786.db2.gz DKURYLZPRKZXLA-MSOLQXFVSA-N 2 1 306.494 3.327 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307991029 1111363767 /nfs/dbraw/zinc/36/37/67/1111363767.db2.gz YXUKUWXRYFSCKU-YUELXQCFSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307991029 1111363770 /nfs/dbraw/zinc/36/37/70/1111363770.db2.gz YXUKUWXRYFSCKU-YUELXQCFSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307991029 1111363774 /nfs/dbraw/zinc/36/37/74/1111363774.db2.gz YXUKUWXRYFSCKU-YUELXQCFSA-N 2 1 310.388 3.233 20 0 DGADMP CSCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308005806 1111365073 /nfs/dbraw/zinc/36/50/73/1111365073.db2.gz AXDFUPQIJYDMIE-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[Si](C)(C)c1ccccc1 ZINC001308038494 1111369817 /nfs/dbraw/zinc/36/98/17/1111369817.db2.gz LWXAEAUMAJKNDF-UHFFFAOYSA-N 2 1 318.581 3.339 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001308121120 1111381441 /nfs/dbraw/zinc/38/14/41/1111381441.db2.gz NEVWPWGDDGLUMZ-NQIIRXRSSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001308121120 1111381446 /nfs/dbraw/zinc/38/14/46/1111381446.db2.gz NEVWPWGDDGLUMZ-NQIIRXRSSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001308121120 1111381451 /nfs/dbraw/zinc/38/14/51/1111381451.db2.gz NEVWPWGDDGLUMZ-NQIIRXRSSA-N 2 1 324.468 3.492 20 0 DGADMP COCc1cccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001308169859 1111389047 /nfs/dbraw/zinc/38/90/47/1111389047.db2.gz HFLMWQRQGMGFHC-BGYRXZFFSA-N 2 1 314.473 3.141 20 0 DGADMP COCc1cccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001308169859 1111389050 /nfs/dbraw/zinc/38/90/50/1111389050.db2.gz HFLMWQRQGMGFHC-BGYRXZFFSA-N 2 1 314.473 3.141 20 0 DGADMP COCc1cccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001308169859 1111389054 /nfs/dbraw/zinc/38/90/54/1111389054.db2.gz HFLMWQRQGMGFHC-BGYRXZFFSA-N 2 1 314.473 3.141 20 0 DGADMP COCc1cccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001308169859 1111389055 /nfs/dbraw/zinc/38/90/55/1111389055.db2.gz HFLMWQRQGMGFHC-BGYRXZFFSA-N 2 1 314.473 3.141 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1ccccn1 ZINC001308183453 1111391810 /nfs/dbraw/zinc/39/18/10/1111391810.db2.gz UKHVOCCBRBNNED-UHFFFAOYSA-N 2 1 311.473 3.372 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308195602 1111395282 /nfs/dbraw/zinc/39/52/82/1111395282.db2.gz NOQVQMVLTCDRPX-LJQANCHMSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308195602 1111395285 /nfs/dbraw/zinc/39/52/85/1111395285.db2.gz NOQVQMVLTCDRPX-LJQANCHMSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308195602 1111395289 /nfs/dbraw/zinc/39/52/89/1111395289.db2.gz NOQVQMVLTCDRPX-LJQANCHMSA-N 2 1 317.521 3.359 20 0 DGADMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC001308236525 1111402334 /nfs/dbraw/zinc/40/23/34/1111402334.db2.gz FJUJSBGBVFHCMF-UHFFFAOYSA-N 2 1 317.477 3.230 20 0 DGADMP C[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257856 1111406366 /nfs/dbraw/zinc/40/63/66/1111406366.db2.gz VZUKMCLAIFRAMB-AEFFLSMTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257856 1111406368 /nfs/dbraw/zinc/40/63/68/1111406368.db2.gz VZUKMCLAIFRAMB-AEFFLSMTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@H+](C)C1CC1 ZINC001308257856 1111406372 /nfs/dbraw/zinc/40/63/72/1111406372.db2.gz VZUKMCLAIFRAMB-AEFFLSMTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC001308257856 1111406375 /nfs/dbraw/zinc/40/63/75/1111406375.db2.gz VZUKMCLAIFRAMB-AEFFLSMTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)[NH+](C)C ZINC001308479991 1111433702 /nfs/dbraw/zinc/43/37/02/1111433702.db2.gz XPEKZCPOYIOYKM-AWEZNQCLSA-N 2 1 306.450 3.072 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001308589587 1111448154 /nfs/dbraw/zinc/44/81/54/1111448154.db2.gz HMEMGZDLMGIMKA-PKOBYXMFSA-N 2 1 308.510 3.245 20 0 DGADMP CC[C@H]1CCCC[C@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC001308740411 1111468244 /nfs/dbraw/zinc/46/82/44/1111468244.db2.gz KICNLMGRUZSHRG-ROUUACIJSA-N 2 1 309.542 3.161 20 0 DGADMP CCc1ccc([C@@H](CN[C@@H]2CCC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794078 1111475440 /nfs/dbraw/zinc/47/54/40/1111475440.db2.gz UGSPOADUPHWWHW-WOJBJXKFSA-N 2 1 317.521 3.316 20 0 DGADMP CCc1ccc([C@@H](CN[C@@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794078 1111475444 /nfs/dbraw/zinc/47/54/44/1111475444.db2.gz UGSPOADUPHWWHW-WOJBJXKFSA-N 2 1 317.521 3.316 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904897 1111491168 /nfs/dbraw/zinc/49/11/68/1111491168.db2.gz XOPGIAAAQDUABK-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904897 1111491172 /nfs/dbraw/zinc/49/11/72/1111491172.db2.gz XOPGIAAAQDUABK-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001308904897 1111491173 /nfs/dbraw/zinc/49/11/73/1111491173.db2.gz XOPGIAAAQDUABK-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(C)c1 ZINC001308904897 1111491176 /nfs/dbraw/zinc/49/11/76/1111491176.db2.gz XOPGIAAAQDUABK-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP C[C@@H]([NH2+]CCC1CSC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308984377 1111505629 /nfs/dbraw/zinc/50/56/29/1111505629.db2.gz IDUMQJAGWQXAOY-CRAIPNDOSA-N 2 1 304.503 3.240 20 0 DGADMP C[C@H]([NH2+]CCC1CSC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308984378 1111505663 /nfs/dbraw/zinc/50/56/63/1111505663.db2.gz IDUMQJAGWQXAOY-MAUKXSAKSA-N 2 1 304.503 3.240 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000278459560 214167675 /nfs/dbraw/zinc/16/76/75/214167675.db2.gz XNVDVDCLLDDPLC-MRXNPFEDSA-N 2 1 304.503 3.302 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000164651820 197660242 /nfs/dbraw/zinc/66/02/42/197660242.db2.gz DFSAURAHVZHZNT-CQSZACIVSA-N 2 1 315.417 3.094 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CC2)CCCO1 ZINC000278633926 214292360 /nfs/dbraw/zinc/29/23/60/214292360.db2.gz SAHLYMYRCLWWJD-APWZRJJASA-N 2 1 302.462 3.228 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCC)c2)CC1 ZINC000079000033 185144291 /nfs/dbraw/zinc/14/42/91/185144291.db2.gz JZTPZZFQHYQGCF-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000278693277 214330368 /nfs/dbraw/zinc/33/03/68/214330368.db2.gz UYCQJKKGIIRWBM-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000278693280 214330612 /nfs/dbraw/zinc/33/06/12/214330612.db2.gz UYCQJKKGIIRWBM-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]Cc3ccncc3)C2)cc1 ZINC000309829595 231105542 /nfs/dbraw/zinc/10/55/42/231105542.db2.gz FYLUYDCCBUPHGD-FQEVSTJZSA-N 2 1 309.457 3.474 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000309981117 231109665 /nfs/dbraw/zinc/10/96/65/231109665.db2.gz UZMPSFJLSUMRPK-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000309981117 231109669 /nfs/dbraw/zinc/10/96/69/231109669.db2.gz UZMPSFJLSUMRPK-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000309981117 231109672 /nfs/dbraw/zinc/10/96/72/231109672.db2.gz UZMPSFJLSUMRPK-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000309982247 231110109 /nfs/dbraw/zinc/11/01/09/231110109.db2.gz VQJQNAJWVKMKEE-MSOLQXFVSA-N 2 1 304.503 3.384 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000310496504 231114847 /nfs/dbraw/zinc/11/48/47/231114847.db2.gz GXTPUGLDZQQICT-NHCUHLMSSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000310496504 231114850 /nfs/dbraw/zinc/11/48/50/231114850.db2.gz GXTPUGLDZQQICT-NHCUHLMSSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000310496504 231114853 /nfs/dbraw/zinc/11/48/53/231114853.db2.gz GXTPUGLDZQQICT-NHCUHLMSSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000082474925 185185485 /nfs/dbraw/zinc/18/54/85/185185485.db2.gz MVZDFDQOSMCSBB-SECBINFHSA-N 2 1 303.269 3.070 20 0 DGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000442790174 529417844 /nfs/dbraw/zinc/41/78/44/529417844.db2.gz ZPFSCZXYMQDDKD-DAYGRLMNSA-N 2 1 317.477 3.230 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc2ccccc21 ZINC000320822594 231198588 /nfs/dbraw/zinc/19/85/88/231198588.db2.gz SPVYHSQDGDYSMD-RYQLBKOJSA-N 2 1 310.441 3.354 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc2ccccc21 ZINC000320822594 231198590 /nfs/dbraw/zinc/19/85/90/231198590.db2.gz SPVYHSQDGDYSMD-RYQLBKOJSA-N 2 1 310.441 3.354 20 0 DGADMP CCc1ccccc1CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000444648059 529576160 /nfs/dbraw/zinc/57/61/60/529576160.db2.gz MGPNTWZYIVQANX-GOSISDBHSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccccc1CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000444648059 529576162 /nfs/dbraw/zinc/57/61/62/529576162.db2.gz MGPNTWZYIVQANX-GOSISDBHSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccccc1CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000444648059 529576167 /nfs/dbraw/zinc/57/61/67/529576167.db2.gz MGPNTWZYIVQANX-GOSISDBHSA-N 2 1 300.490 3.455 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1 ZINC000432416809 529597520 /nfs/dbraw/zinc/59/75/20/529597520.db2.gz SMAVDXRSEOANJX-YJBOKZPZSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1 ZINC000432416809 529597521 /nfs/dbraw/zinc/59/75/21/529597521.db2.gz SMAVDXRSEOANJX-YJBOKZPZSA-N 2 1 308.441 3.367 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2)C1 ZINC000090586829 185305082 /nfs/dbraw/zinc/30/50/82/185305082.db2.gz WLRPCXLYALRIAD-DLBZAZTESA-N 2 1 306.498 3.483 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2)C1 ZINC000090586829 185305083 /nfs/dbraw/zinc/30/50/83/185305083.db2.gz WLRPCXLYALRIAD-DLBZAZTESA-N 2 1 306.498 3.483 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000090577745 185304616 /nfs/dbraw/zinc/30/46/16/185304616.db2.gz UPBCDGXMVZLNTN-TXPKVOOTSA-N 2 1 304.478 3.336 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCOCC1 ZINC000092821379 185343908 /nfs/dbraw/zinc/34/39/08/185343908.db2.gz YPIGYNHAZUAVKE-UHFFFAOYSA-N 2 1 317.477 3.047 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CCOC2(CCC2)C1)Cc1ccccc1 ZINC000309579474 529891843 /nfs/dbraw/zinc/89/18/43/529891843.db2.gz ZMMLHCJRGLKHAJ-SFHVURJKSA-N 2 1 302.462 3.200 20 0 DGADMP COCCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272769835 210174643 /nfs/dbraw/zinc/17/46/43/210174643.db2.gz MOTFJZNSCYOEFI-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000415140333 529964767 /nfs/dbraw/zinc/96/47/67/529964767.db2.gz YTOYRKBOTZIDQT-UHFFFAOYSA-N 2 1 308.429 3.067 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c(C)c1OC ZINC000286738112 219137526 /nfs/dbraw/zinc/13/75/26/219137526.db2.gz HSLNMZFYSJDSLK-LSDHHAIUSA-N 2 1 306.450 3.147 20 0 DGADMP C[N@H+](Cc1c(Cl)ccc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435446858 529973727 /nfs/dbraw/zinc/97/37/27/529973727.db2.gz MMLFGNDJFHIFSF-CQSZACIVSA-N 2 1 303.837 3.462 20 0 DGADMP C[N@@H+](Cc1c(Cl)ccc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435446858 529973728 /nfs/dbraw/zinc/97/37/28/529973728.db2.gz MMLFGNDJFHIFSF-CQSZACIVSA-N 2 1 303.837 3.462 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000296583602 529998529 /nfs/dbraw/zinc/99/85/29/529998529.db2.gz UMIVZZIVTVHYJY-SOAISFHBSA-N 2 1 316.489 3.180 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305666217 530056909 /nfs/dbraw/zinc/05/69/09/530056909.db2.gz ZXPXPLOPNQIUJY-RTBURBONSA-N 2 1 320.452 3.055 20 0 DGADMP C[N@H+](Cc1ccc(F)c2cccnc12)CC1CC[NH+](C)CC1 ZINC000104086477 432014030 /nfs/dbraw/zinc/01/40/30/432014030.db2.gz JJQLLDMTCQTJIH-UHFFFAOYSA-N 2 1 301.409 3.148 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)cs1 ZINC000279722374 215091594 /nfs/dbraw/zinc/09/15/94/215091594.db2.gz MIJCYAYCOVHZSJ-JTQLQIEISA-N 2 1 315.280 3.423 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000272615000 210017314 /nfs/dbraw/zinc/01/73/14/210017314.db2.gz WZTUJMADNKOOEI-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC000287073902 219298729 /nfs/dbraw/zinc/29/87/29/219298729.db2.gz VDRHPZHMRWLXAA-LJQANCHMSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC000287073902 219298730 /nfs/dbraw/zinc/29/87/30/219298730.db2.gz VDRHPZHMRWLXAA-LJQANCHMSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152447928 186074257 /nfs/dbraw/zinc/07/42/57/186074257.db2.gz FEESBLHSVOGZOX-XHSDSOJGSA-N 2 1 302.462 3.261 20 0 DGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000155868148 186118970 /nfs/dbraw/zinc/11/89/70/186118970.db2.gz XUFJZKYMKLMMRN-RLFYNMQTSA-N 2 1 314.477 3.053 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189972062 186257367 /nfs/dbraw/zinc/25/73/67/186257367.db2.gz FUBKHVYQEXQGQF-RTBURBONSA-N 2 1 318.505 3.285 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268746128 186376468 /nfs/dbraw/zinc/37/64/68/186376468.db2.gz VCPIJPRACVNZGF-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268746128 186376469 /nfs/dbraw/zinc/37/64/69/186376469.db2.gz VCPIJPRACVNZGF-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268746128 186376470 /nfs/dbraw/zinc/37/64/70/186376470.db2.gz VCPIJPRACVNZGF-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858392 191240398 /nfs/dbraw/zinc/24/03/98/191240398.db2.gz QVMPNZJNLDZSCD-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858392 191240400 /nfs/dbraw/zinc/24/04/00/191240400.db2.gz QVMPNZJNLDZSCD-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858392 191240403 /nfs/dbraw/zinc/24/04/03/191240403.db2.gz QVMPNZJNLDZSCD-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858392 191240406 /nfs/dbraw/zinc/24/04/06/191240406.db2.gz QVMPNZJNLDZSCD-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277156199 213333128 /nfs/dbraw/zinc/33/31/28/213333128.db2.gz FJSXPKWGLXWSPK-NVXWUHKLSA-N 2 1 320.477 3.043 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000173391433 198209738 /nfs/dbraw/zinc/20/97/38/198209738.db2.gz DWLLEVSZFKBWFC-INIZCTEOSA-N 2 1 321.534 3.087 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000174514696 198344657 /nfs/dbraw/zinc/34/46/57/198344657.db2.gz CGFCIXSLNCYCLM-JSGCOSHPSA-N 2 1 316.367 3.200 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000174628376 198362118 /nfs/dbraw/zinc/36/21/18/198362118.db2.gz FDVBAUVDBYYOEM-DOMZBBRYSA-N 2 1 311.267 3.269 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000163563713 432036443 /nfs/dbraw/zinc/03/64/43/432036443.db2.gz NOLYUVGJPQRVBQ-YLJYHZDGSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000163563713 432036447 /nfs/dbraw/zinc/03/64/47/432036447.db2.gz NOLYUVGJPQRVBQ-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000163563713 432036451 /nfs/dbraw/zinc/03/64/51/432036451.db2.gz NOLYUVGJPQRVBQ-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)[C@H](C)C1 ZINC000163563713 432036454 /nfs/dbraw/zinc/03/64/54/432036454.db2.gz NOLYUVGJPQRVBQ-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCO2 ZINC000131804621 432038169 /nfs/dbraw/zinc/03/81/69/432038169.db2.gz CVDVAJUTOYNBGK-HZTRTUMWSA-N 2 1 316.445 3.124 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000131575780 432040227 /nfs/dbraw/zinc/04/02/27/432040227.db2.gz RMUFBYMLJDHUAP-MSOLQXFVSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131580870 432042137 /nfs/dbraw/zinc/04/21/37/432042137.db2.gz MCVATTFAOFAFRK-NEPJUHHUSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131580870 432042141 /nfs/dbraw/zinc/04/21/41/432042141.db2.gz MCVATTFAOFAFRK-NEPJUHHUSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000164947980 432052949 /nfs/dbraw/zinc/05/29/49/432052949.db2.gz DEJOXYCBAZYJQV-HPFXQQBRSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000164947980 432052950 /nfs/dbraw/zinc/05/29/50/432052950.db2.gz DEJOXYCBAZYJQV-HPFXQQBRSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000164947980 432052954 /nfs/dbraw/zinc/05/29/54/432052954.db2.gz DEJOXYCBAZYJQV-HPFXQQBRSA-N 2 1 321.534 3.203 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000165017963 432053266 /nfs/dbraw/zinc/05/32/66/432053266.db2.gz CCJBBPUJZAWIOI-YQQAZPJKSA-N 2 1 308.491 3.146 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000165017963 432053269 /nfs/dbraw/zinc/05/32/69/432053269.db2.gz CCJBBPUJZAWIOI-YQQAZPJKSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000165282955 432055013 /nfs/dbraw/zinc/05/50/13/432055013.db2.gz KPHLNRWYYONRSG-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570027 192292381 /nfs/dbraw/zinc/29/23/81/192292381.db2.gz TWLTWUOHLRXFER-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570027 192292385 /nfs/dbraw/zinc/29/23/85/192292385.db2.gz TWLTWUOHLRXFER-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570027 192292388 /nfs/dbraw/zinc/29/23/88/192292388.db2.gz TWLTWUOHLRXFER-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570027 192292391 /nfs/dbraw/zinc/29/23/91/192292391.db2.gz TWLTWUOHLRXFER-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)NC(CC)(CC)C[NH3+])cc1)C(C)C ZINC000236923155 202074318 /nfs/dbraw/zinc/07/43/18/202074318.db2.gz JPCSNEUVRKCHSS-UHFFFAOYSA-N 2 1 319.493 3.164 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCOC1 ZINC000237132239 202161576 /nfs/dbraw/zinc/16/15/76/202161576.db2.gz SYFZIQFUFVTTJC-GOSISDBHSA-N 2 1 304.478 3.161 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000166737772 432061671 /nfs/dbraw/zinc/06/16/71/432061671.db2.gz IMGDAVNNWCGIBW-CWRNSKLLSA-N 2 1 308.853 3.324 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]3)c2C1 ZINC000166935868 432062764 /nfs/dbraw/zinc/06/27/64/432062764.db2.gz LHFWBXYMTHBSLB-MRXNPFEDSA-N 2 1 315.461 3.129 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337325 432068372 /nfs/dbraw/zinc/06/83/72/432068372.db2.gz WBBKQSFOJLIXNE-RYRKJORJSA-N 2 1 301.478 3.420 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337325 432068375 /nfs/dbraw/zinc/06/83/75/432068375.db2.gz WBBKQSFOJLIXNE-RYRKJORJSA-N 2 1 301.478 3.420 20 0 DGADMP CCOCc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC ZINC000180041716 199111154 /nfs/dbraw/zinc/11/11/54/199111154.db2.gz SFMVVARYKCAMDV-KRWDZBQOSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC ZINC000180041716 199111155 /nfs/dbraw/zinc/11/11/55/199111155.db2.gz SFMVVARYKCAMDV-KRWDZBQOSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)ccc1OC ZINC000180041716 199111157 /nfs/dbraw/zinc/11/11/57/199111157.db2.gz SFMVVARYKCAMDV-KRWDZBQOSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)ccc1OC ZINC000180041716 199111160 /nfs/dbraw/zinc/11/11/60/199111160.db2.gz SFMVVARYKCAMDV-KRWDZBQOSA-N 2 1 320.477 3.005 20 0 DGADMP c1cn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000180104307 199117622 /nfs/dbraw/zinc/11/76/22/199117622.db2.gz DHXUBDKQNVHJRT-IHWFROFDSA-N 3 1 324.472 3.058 20 0 DGADMP c1cn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000180104307 199117624 /nfs/dbraw/zinc/11/76/24/199117624.db2.gz DHXUBDKQNVHJRT-IHWFROFDSA-N 3 1 324.472 3.058 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1F ZINC000180110791 199118395 /nfs/dbraw/zinc/11/83/95/199118395.db2.gz XLEZPWHNYZKNGG-LJQANCHMSA-N 2 1 321.484 3.284 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[C@H](C)O ZINC000180149356 199123252 /nfs/dbraw/zinc/12/32/52/199123252.db2.gz HMTBJNNHLPJVNR-SALMWKFDSA-N 2 1 316.489 3.179 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276615591 213001647 /nfs/dbraw/zinc/00/16/47/213001647.db2.gz HEHGFYBDNPCHSZ-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000180987391 199237435 /nfs/dbraw/zinc/23/74/35/199237435.db2.gz YIJVFVRIUUHUFU-YLJYHZDGSA-N 2 1 314.473 3.089 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)sc1Br ZINC000415053898 237038678 /nfs/dbraw/zinc/03/86/78/237038678.db2.gz KUHKFAFNAQUJSS-JTQLQIEISA-N 2 1 305.285 3.282 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415039051 237028029 /nfs/dbraw/zinc/02/80/29/237028029.db2.gz IQQFJRNCSRRVLF-IAGOWNOFSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)s2)cc1 ZINC000415102151 237075160 /nfs/dbraw/zinc/07/51/60/237075160.db2.gz AISMPFPRUJIUEL-INIZCTEOSA-N 2 1 316.470 3.273 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)s2)cc1 ZINC000415102151 237075167 /nfs/dbraw/zinc/07/51/67/237075167.db2.gz AISMPFPRUJIUEL-INIZCTEOSA-N 2 1 316.470 3.273 20 0 DGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415077665 237059249 /nfs/dbraw/zinc/05/92/49/237059249.db2.gz HRFAJZWPEZTUSF-HRCADAONSA-N 2 1 308.853 3.359 20 0 DGADMP Cc1ccccc1OCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415088287 237065984 /nfs/dbraw/zinc/06/59/84/237065984.db2.gz WGEGRSNFNDMEMR-OALUTQOASA-N 2 1 310.441 3.457 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000415128871 237099055 /nfs/dbraw/zinc/09/90/55/237099055.db2.gz OLQZBGODAHTEAK-TZMCWYRMSA-N 2 1 318.852 3.147 20 0 DGADMP OCC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415121127 237092641 /nfs/dbraw/zinc/09/26/41/237092641.db2.gz MJZLFDZULYWJFG-ZCNNSNEGSA-N 2 1 310.441 3.193 20 0 DGADMP OCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415121124 237093898 /nfs/dbraw/zinc/09/38/98/237093898.db2.gz MJZLFDZULYWJFG-AQNXPRMDSA-N 2 1 310.441 3.193 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CCC2)cc1 ZINC000187050571 200053016 /nfs/dbraw/zinc/05/30/16/200053016.db2.gz ANKOXCAPRJSNIR-HXUWFJFHSA-N 2 1 316.489 3.273 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281124902 216095126 /nfs/dbraw/zinc/09/51/26/216095126.db2.gz DOBNZUGYILZKCD-SFHVURJKSA-N 2 1 305.441 3.382 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)F)[C@H](C)C1 ZINC000188719987 200293153 /nfs/dbraw/zinc/29/31/53/200293153.db2.gz YFMTXCDQBXJBJM-HIFRSBDPSA-N 2 1 312.404 3.150 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCOCC1 ZINC000189204231 200363882 /nfs/dbraw/zinc/36/38/82/200363882.db2.gz RUSRXEHVILTBKD-MOPGFXCFSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccco1 ZINC000423471463 237851841 /nfs/dbraw/zinc/85/18/41/237851841.db2.gz MCGQOXSBCZICHZ-UKPHBRMFSA-N 2 1 302.393 3.463 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H](C)C2 ZINC000180516356 432089062 /nfs/dbraw/zinc/08/90/62/432089062.db2.gz VPRKHFLAHMWTQV-YVWKXTFCSA-N 2 1 316.489 3.055 20 0 DGADMP c1cnn(CCCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134916355 432089853 /nfs/dbraw/zinc/08/98/53/432089853.db2.gz AMPMUAYPGVEGOX-IEBWSBKVSA-N 2 1 316.493 3.002 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134916355 432089855 /nfs/dbraw/zinc/08/98/55/432089855.db2.gz AMPMUAYPGVEGOX-IEBWSBKVSA-N 2 1 316.493 3.002 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134916355 432089858 /nfs/dbraw/zinc/08/98/58/432089858.db2.gz AMPMUAYPGVEGOX-IEBWSBKVSA-N 2 1 316.493 3.002 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430579868 238080901 /nfs/dbraw/zinc/08/09/01/238080901.db2.gz ZGBQTWLOFVWMCF-HOTGVXAUSA-N 2 1 311.429 3.433 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000432410948 238127356 /nfs/dbraw/zinc/12/73/56/238127356.db2.gz TVZLSTRPFUXWHS-ROUUACIJSA-N 2 1 304.478 3.455 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2F)CC1 ZINC000271916150 209320700 /nfs/dbraw/zinc/32/07/00/209320700.db2.gz YUYQZFZEBJUKLT-KSSFIOAISA-N 2 1 308.441 3.366 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000193667187 201100269 /nfs/dbraw/zinc/10/02/69/201100269.db2.gz IPPYZQUKIZYGFM-CXAGYDPISA-N 2 1 321.852 3.458 20 0 DGADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000271868189 209281701 /nfs/dbraw/zinc/28/17/01/209281701.db2.gz WTFOMPGSQQZIHL-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000271868189 209281705 /nfs/dbraw/zinc/28/17/05/209281705.db2.gz WTFOMPGSQQZIHL-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441439710 239052243 /nfs/dbraw/zinc/05/22/43/239052243.db2.gz WFOPOMXMHGBQOW-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441439710 239052249 /nfs/dbraw/zinc/05/22/49/239052249.db2.gz WFOPOMXMHGBQOW-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442781665 239123892 /nfs/dbraw/zinc/12/38/92/239123892.db2.gz OPMJJVPBBIMGGW-IJLUTSLNSA-N 2 1 320.824 3.120 20 0 DGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442781665 239123899 /nfs/dbraw/zinc/12/38/99/239123899.db2.gz OPMJJVPBBIMGGW-IJLUTSLNSA-N 2 1 320.824 3.120 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788628 239125065 /nfs/dbraw/zinc/12/50/65/239125065.db2.gz YCZQFGYJVNBPBM-OAGGEKHMSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788628 239125067 /nfs/dbraw/zinc/12/50/67/239125067.db2.gz YCZQFGYJVNBPBM-OAGGEKHMSA-N 2 1 311.473 3.345 20 0 DGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443057357 239167601 /nfs/dbraw/zinc/16/76/01/239167601.db2.gz GKQCMIYXMIROAD-LSDHHAIUSA-N 2 1 314.433 3.167 20 0 DGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443057355 239167824 /nfs/dbraw/zinc/16/78/24/239167824.db2.gz GKQCMIYXMIROAD-GJZGRUSLSA-N 2 1 314.433 3.167 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449187837 240058388 /nfs/dbraw/zinc/05/83/88/240058388.db2.gz RDKKZPHCDSDMHR-DARIXABFSA-N 2 1 318.530 3.484 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275405322 212313326 /nfs/dbraw/zinc/31/33/26/212313326.db2.gz CTLRKCOABNYTJC-HIFRSBDPSA-N 2 1 303.837 3.320 20 0 DGADMP CC1(F)CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000449377745 240163379 /nfs/dbraw/zinc/16/33/79/240163379.db2.gz UGLOFPXROZREMA-RFFAXONSSA-N 2 1 302.437 3.377 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560577 240291179 /nfs/dbraw/zinc/29/11/79/240291179.db2.gz MXTDBHCFLJEGDZ-MNIJEXPFSA-N 2 1 319.537 3.244 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000091472133 193061086 /nfs/dbraw/zinc/06/10/86/193061086.db2.gz QQPRINPGPSTEFS-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000091472133 193061087 /nfs/dbraw/zinc/06/10/87/193061087.db2.gz QQPRINPGPSTEFS-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091869249 193120087 /nfs/dbraw/zinc/12/00/87/193120087.db2.gz LMLNLVPWOCGMAB-SFHVURJKSA-N 2 1 320.452 3.291 20 0 DGADMP CC(C)C[C@]1(C)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451291508 241072420 /nfs/dbraw/zinc/07/24/20/241072420.db2.gz PGBQPFAXYTWYCF-IBGZPJMESA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000453119851 241633490 /nfs/dbraw/zinc/63/34/90/241633490.db2.gz LDEORIHRAZKCPW-DLBZAZTESA-N 2 1 324.472 3.223 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000092165690 193170140 /nfs/dbraw/zinc/17/01/40/193170140.db2.gz MHCYCZQBRNKOBE-UHFFFAOYSA-N 2 1 320.477 3.318 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000092165690 193170142 /nfs/dbraw/zinc/17/01/42/193170142.db2.gz MHCYCZQBRNKOBE-UHFFFAOYSA-N 2 1 320.477 3.318 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)CC[NH+](C)C ZINC000459392006 243355942 /nfs/dbraw/zinc/35/59/42/243355942.db2.gz STMIYJSZQGLKRY-LLVKDONJSA-N 2 1 306.479 3.011 20 0 DGADMP CC(C)OC1CC([N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000459332997 243337770 /nfs/dbraw/zinc/33/77/70/243337770.db2.gz ZSFVDACXKUIXSF-LMDPOFIKSA-N 2 1 308.510 3.386 20 0 DGADMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1C ZINC000469027829 244080451 /nfs/dbraw/zinc/08/04/51/244080451.db2.gz NDBLZFBBGFBADL-ROUUACIJSA-N 2 1 303.494 3.141 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1cccc(Br)c1 ZINC000469885779 244132053 /nfs/dbraw/zinc/13/20/53/244132053.db2.gz VTFBJHVPIQOIPB-JMGFVUJMSA-N 2 1 323.278 3.222 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000469990000 244136306 /nfs/dbraw/zinc/13/63/06/244136306.db2.gz IEEMDTBUGVBNGM-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874476 296135591 /nfs/dbraw/zinc/13/55/91/296135591.db2.gz DASOZPGIIAUGDR-QKLQHJQFSA-N 2 1 315.505 3.291 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000471836060 244256902 /nfs/dbraw/zinc/25/69/02/244256902.db2.gz IFQPMFRDKLTMKF-UXHICEINSA-N 2 1 309.457 3.254 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OC(F)(F)F)c1 ZINC000471763957 244244136 /nfs/dbraw/zinc/24/41/36/244244136.db2.gz ZSIMQDALWORDBJ-NSHDSACASA-N 2 1 313.323 3.212 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000474472423 244399964 /nfs/dbraw/zinc/39/99/64/244399964.db2.gz OGVVFIGBMSRHBX-ICSRJNTNSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](c1ccsc1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000119511112 284144605 /nfs/dbraw/zinc/14/46/05/284144605.db2.gz ATBPSFFXCBSWQU-QGZVFWFLSA-N 2 1 321.534 3.303 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000275028081 212081920 /nfs/dbraw/zinc/08/19/20/212081920.db2.gz QWIMCXBUILDAFB-NSHDSACASA-N 2 1 308.223 3.076 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000120175999 284162741 /nfs/dbraw/zinc/16/27/41/284162741.db2.gz FKVYEPFLTNKHSP-CQSZACIVSA-N 2 1 311.267 3.189 20 0 DGADMP CCOc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC ZINC000093660022 193285179 /nfs/dbraw/zinc/28/51/79/193285179.db2.gz XNUPRYNJRHCSOV-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC ZINC000093660022 193285181 /nfs/dbraw/zinc/28/51/81/193285181.db2.gz XNUPRYNJRHCSOV-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1OC ZINC000093660022 193285182 /nfs/dbraw/zinc/28/51/82/193285182.db2.gz XNUPRYNJRHCSOV-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1OC ZINC000093660022 193285184 /nfs/dbraw/zinc/28/51/84/193285184.db2.gz XNUPRYNJRHCSOV-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CC[N@H+](CC1=CCCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818826 193312955 /nfs/dbraw/zinc/31/29/55/193312955.db2.gz SQHBGDYWPOAUSV-IBGZPJMESA-N 2 1 314.473 3.177 20 0 DGADMP CC[NH+](CC1=CCCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818826 193312956 /nfs/dbraw/zinc/31/29/56/193312956.db2.gz SQHBGDYWPOAUSV-IBGZPJMESA-N 2 1 314.473 3.177 20 0 DGADMP CC[NH+](CC1=CCCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818826 193312958 /nfs/dbraw/zinc/31/29/58/193312958.db2.gz SQHBGDYWPOAUSV-IBGZPJMESA-N 2 1 314.473 3.177 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183184276 296151017 /nfs/dbraw/zinc/15/10/17/296151017.db2.gz PRQVIHZDOHXISO-FRQCXROJSA-N 2 1 316.489 3.483 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246353918 432121695 /nfs/dbraw/zinc/12/16/95/432121695.db2.gz HWXWSWOAGJCMCE-ZOBUZTSGSA-N 2 1 317.477 3.244 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246353918 432121697 /nfs/dbraw/zinc/12/16/97/432121697.db2.gz HWXWSWOAGJCMCE-ZOBUZTSGSA-N 2 1 317.477 3.244 20 0 DGADMP Cc1cnc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000122850885 284226696 /nfs/dbraw/zinc/22/66/96/284226696.db2.gz NUBKUCZQPLRETI-AWEZNQCLSA-N 2 1 319.474 3.243 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000488362172 245179403 /nfs/dbraw/zinc/17/94/03/245179403.db2.gz CCHRSZNWVMIPGD-ICSRJNTNSA-N 2 1 316.489 3.413 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@@H]3C)CC2)cs1 ZINC000488405361 245185791 /nfs/dbraw/zinc/18/57/91/245185791.db2.gz AEDUZBVWSPQVBR-DZGCQCFKSA-N 2 1 307.507 3.163 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349097 432123586 /nfs/dbraw/zinc/12/35/86/432123586.db2.gz JVJISBSOQIJUPP-IJEWVQPXSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349097 432123590 /nfs/dbraw/zinc/12/35/90/432123590.db2.gz JVJISBSOQIJUPP-IJEWVQPXSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3=CCCOC3)cc2)C1 ZINC000126485496 284306559 /nfs/dbraw/zinc/30/65/59/284306559.db2.gz FSZBMBRHHFODOX-KRWDZBQOSA-N 2 1 314.473 3.355 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000282578570 217102300 /nfs/dbraw/zinc/10/23/00/217102300.db2.gz ZKZMUSLWPPCWCD-YTQUADARSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000282578570 217102304 /nfs/dbraw/zinc/10/23/04/217102304.db2.gz ZKZMUSLWPPCWCD-YTQUADARSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000268732253 432126442 /nfs/dbraw/zinc/12/64/42/432126442.db2.gz MRMDCLCKLUSXRO-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000268732253 432126447 /nfs/dbraw/zinc/12/64/47/432126447.db2.gz MRMDCLCKLUSXRO-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000266176813 205160907 /nfs/dbraw/zinc/16/09/07/205160907.db2.gz TWZABEBQZYBCLD-WBVHZDCISA-N 2 1 320.477 3.304 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000266176813 205160910 /nfs/dbraw/zinc/16/09/10/205160910.db2.gz TWZABEBQZYBCLD-WBVHZDCISA-N 2 1 320.477 3.304 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000282879173 217296917 /nfs/dbraw/zinc/29/69/17/217296917.db2.gz VQHNOFFVTHDDCM-RTBURBONSA-N 2 1 314.473 3.066 20 0 DGADMP CN(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435988 432130845 /nfs/dbraw/zinc/13/08/45/432130845.db2.gz CUTHNPTZAAOYDR-PXNSSMCTSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246435988 432130848 /nfs/dbraw/zinc/13/08/48/432130848.db2.gz CUTHNPTZAAOYDR-PXNSSMCTSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246435988 432130851 /nfs/dbraw/zinc/13/08/51/432130851.db2.gz CUTHNPTZAAOYDR-PXNSSMCTSA-N 2 1 313.489 3.072 20 0 DGADMP Brc1ccc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000020129134 182189816 /nfs/dbraw/zinc/18/98/16/182189816.db2.gz JOLKSVWWCGTYCO-UHFFFAOYSA-N 2 1 303.269 3.086 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000020188927 182195709 /nfs/dbraw/zinc/19/57/09/182195709.db2.gz PMPHVYPFPYJMEX-UHFFFAOYSA-N 2 1 311.267 3.412 20 0 DGADMP COc1cc([C@@H](C)NCCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC000268783550 432132441 /nfs/dbraw/zinc/13/24/41/432132441.db2.gz UVYODZNECLXEQQ-CQSZACIVSA-N 2 1 324.465 3.093 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC000268783550 432132445 /nfs/dbraw/zinc/13/24/45/432132445.db2.gz UVYODZNECLXEQQ-CQSZACIVSA-N 2 1 324.465 3.093 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC000268783550 432132448 /nfs/dbraw/zinc/13/24/48/432132448.db2.gz UVYODZNECLXEQQ-CQSZACIVSA-N 2 1 324.465 3.093 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181511205 432132619 /nfs/dbraw/zinc/13/26/19/432132619.db2.gz HLWFCLASKOWQGF-XDNAFOTISA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268778534 432133002 /nfs/dbraw/zinc/13/30/02/432133002.db2.gz WUIZJVVYOUAXKF-OAHLLOKOSA-N 2 1 310.445 3.150 20 0 DGADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000493794657 246071003 /nfs/dbraw/zinc/07/10/03/246071003.db2.gz MMTBQYHFTCOZHR-OAHLLOKOSA-N 2 1 323.278 3.429 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916874 246096958 /nfs/dbraw/zinc/09/69/58/246096958.db2.gz NLUDNGRXDQKIIX-XWTMOSNGSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916874 246096962 /nfs/dbraw/zinc/09/69/62/246096962.db2.gz NLUDNGRXDQKIIX-XWTMOSNGSA-N 2 1 320.521 3.434 20 0 DGADMP COCC(C)(C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000494080667 246111530 /nfs/dbraw/zinc/11/15/30/246111530.db2.gz UZJXCSSKHUQLRX-INIZCTEOSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267453797 206078761 /nfs/dbraw/zinc/07/87/61/206078761.db2.gz SFQGFWFLMSYPFH-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267453797 206078769 /nfs/dbraw/zinc/07/87/69/206078769.db2.gz SFQGFWFLMSYPFH-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453797 206078773 /nfs/dbraw/zinc/07/87/73/206078773.db2.gz SFQGFWFLMSYPFH-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453797 206078781 /nfs/dbraw/zinc/07/87/81/206078781.db2.gz SFQGFWFLMSYPFH-WMZOPIPTSA-N 2 1 304.478 3.132 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494887753 246206817 /nfs/dbraw/zinc/20/68/17/246206817.db2.gz FGITWNTWBCAKJB-MDZRGWNJSA-N 2 1 320.452 3.225 20 0 DGADMP COc1ccc2cc(CN3CC[C@H]4CC[N@@H+](C)C[C@H]43)ccc2c1 ZINC000495126548 246238307 /nfs/dbraw/zinc/23/83/07/246238307.db2.gz HWHKKYDTXWOUBQ-OXQOHEQNSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000268795491 432136033 /nfs/dbraw/zinc/13/60/33/432136033.db2.gz HUQDWNYZBDMUNQ-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000268793816 432137484 /nfs/dbraw/zinc/13/74/84/432137484.db2.gz VVZLITFVMJFZSM-XIRDDKMYSA-N 2 1 318.461 3.290 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000268793816 432137486 /nfs/dbraw/zinc/13/74/86/432137486.db2.gz VVZLITFVMJFZSM-XIRDDKMYSA-N 2 1 318.461 3.290 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000268815102 432140341 /nfs/dbraw/zinc/14/03/41/432140341.db2.gz NJHBBXDMVVCXBA-LLVKDONJSA-N 2 1 313.323 3.441 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000268816812 432141014 /nfs/dbraw/zinc/14/10/14/432141014.db2.gz MPUWPZGYHIZNCU-DKKFBQAASA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000268816812 432141015 /nfs/dbraw/zinc/14/10/15/432141015.db2.gz MPUWPZGYHIZNCU-DKKFBQAASA-N 2 1 302.462 3.197 20 0 DGADMP CC1CC[NH+](CCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246574601 432146011 /nfs/dbraw/zinc/14/60/11/432146011.db2.gz HWHMMBAVUZFGNB-WOJBJXKFSA-N 2 1 321.553 3.305 20 0 DGADMP Fc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246577266 432145473 /nfs/dbraw/zinc/14/54/73/432145473.db2.gz LTWRRGZCHFHYOZ-KXBFYZLASA-N 2 1 318.436 3.153 20 0 DGADMP Fc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246577266 432145477 /nfs/dbraw/zinc/14/54/77/432145477.db2.gz LTWRRGZCHFHYOZ-KXBFYZLASA-N 2 1 318.436 3.153 20 0 DGADMP Fc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246577266 432145480 /nfs/dbraw/zinc/14/54/80/432145480.db2.gz LTWRRGZCHFHYOZ-KXBFYZLASA-N 2 1 318.436 3.153 20 0 DGADMP C[N@@H+](Cc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746538 183129036 /nfs/dbraw/zinc/12/90/36/183129036.db2.gz IFUUDZCSTPHQMP-YIONKMFJSA-N 2 1 309.251 3.164 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)cc1 ZINC000105443471 194104289 /nfs/dbraw/zinc/10/42/89/194104289.db2.gz WHWQANGJCJREMU-GFCCVEGCSA-N 2 1 322.250 3.380 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1nccs1 ZINC000106249918 194192756 /nfs/dbraw/zinc/19/27/56/194192756.db2.gz ADDPYDCJELXGCG-AWEZNQCLSA-N 2 1 319.474 3.324 20 0 DGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000285140834 218307010 /nfs/dbraw/zinc/30/70/10/218307010.db2.gz LWSOEGLADPBIET-OVZGMEQFSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268791111 206961164 /nfs/dbraw/zinc/96/11/64/206961164.db2.gz GEYKMEOZOWGFOI-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268791111 206961169 /nfs/dbraw/zinc/96/11/69/206961169.db2.gz GEYKMEOZOWGFOI-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268836411 207000222 /nfs/dbraw/zinc/00/02/22/207000222.db2.gz LYTWTASXEHIVDI-QXAKKESOSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268836411 207000223 /nfs/dbraw/zinc/00/02/23/207000223.db2.gz LYTWTASXEHIVDI-QXAKKESOSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000110645240 194346253 /nfs/dbraw/zinc/34/62/53/194346253.db2.gz NAEPRWXQNQTFKI-JTQLQIEISA-N 2 1 315.230 3.147 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1C)CCCO2 ZINC000268865159 207033120 /nfs/dbraw/zinc/03/31/20/207033120.db2.gz NSGVOWGCILEWCA-QGZVFWFLSA-N 2 1 315.417 3.094 20 0 DGADMP CC(C)COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268864186 207034571 /nfs/dbraw/zinc/03/45/71/207034571.db2.gz WCPKLHWKPRLONA-HKUYNNGSSA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268864186 207034574 /nfs/dbraw/zinc/03/45/74/207034574.db2.gz WCPKLHWKPRLONA-HKUYNNGSSA-N 2 1 304.478 3.159 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268873794 207042979 /nfs/dbraw/zinc/04/29/79/207042979.db2.gz JSOJIWHRKXCNNZ-SUNYJGFJSA-N 2 1 301.434 3.238 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000268889461 207058072 /nfs/dbraw/zinc/05/80/72/207058072.db2.gz JEHVCBDJNACJOG-HKUYNNGSSA-N 2 1 304.478 3.191 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268910940 207079987 /nfs/dbraw/zinc/07/99/87/207079987.db2.gz RASHGUCOSCYICT-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268910940 207079990 /nfs/dbraw/zinc/07/99/90/207079990.db2.gz RASHGUCOSCYICT-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000268997539 207153043 /nfs/dbraw/zinc/15/30/43/207153043.db2.gz TVGBBKIVDMILLH-QXAKKESOSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)CCO)cc1 ZINC000269016706 207168053 /nfs/dbraw/zinc/16/80/53/207168053.db2.gz YRUDSHJGVAHWGZ-CQSZACIVSA-N 2 1 301.434 3.240 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269022872 207174217 /nfs/dbraw/zinc/17/42/17/207174217.db2.gz BZUBPWQDKSJNDX-SNRMKQJTSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269022872 207174220 /nfs/dbraw/zinc/17/42/20/207174220.db2.gz BZUBPWQDKSJNDX-SNRMKQJTSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269091108 207234712 /nfs/dbraw/zinc/23/47/12/207234712.db2.gz QOWMMQBAPNQMQC-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269091108 207234715 /nfs/dbraw/zinc/23/47/15/207234715.db2.gz QOWMMQBAPNQMQC-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000063165865 184275286 /nfs/dbraw/zinc/27/52/86/184275286.db2.gz RUQRRNKDGDNKMJ-UHFFFAOYSA-N 2 1 318.795 3.373 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCOC[C@H]1C ZINC000248826264 285028730 /nfs/dbraw/zinc/02/87/30/285028730.db2.gz CXQMGNCRDJIITG-DSJDWBEOSA-N 2 1 316.489 3.158 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289262679 252857872 /nfs/dbraw/zinc/85/78/72/252857872.db2.gz OKTFFBHLGZGNFD-UZLBHIALSA-N 2 1 315.505 3.098 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000269987113 208040879 /nfs/dbraw/zinc/04/08/79/208040879.db2.gz SVNGNJOEINKEDX-ZIFCJYIRSA-N 2 1 300.446 3.363 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722124 253000262 /nfs/dbraw/zinc/00/02/62/253000262.db2.gz VNYTXJXFPXHBTJ-ZBFHGGJFSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722124 253000265 /nfs/dbraw/zinc/00/02/65/253000265.db2.gz VNYTXJXFPXHBTJ-ZBFHGGJFSA-N 2 1 301.459 3.316 20 0 DGADMP Cc1ccc(-c2cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)on2)cc1 ZINC000336855630 253009098 /nfs/dbraw/zinc/00/90/98/253009098.db2.gz XRCHEUVDEPZRGM-QGZVFWFLSA-N 2 1 301.434 3.455 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)on2)cc1 ZINC000336855630 253009099 /nfs/dbraw/zinc/00/90/99/253009099.db2.gz XRCHEUVDEPZRGM-QGZVFWFLSA-N 2 1 301.434 3.455 20 0 DGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336862914 253012550 /nfs/dbraw/zinc/01/25/50/253012550.db2.gz AWOMHRAMUAIUAS-UHFFFAOYSA-N 2 1 318.461 3.062 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337285739 253078629 /nfs/dbraw/zinc/07/86/29/253078629.db2.gz KERXUCDHUVUJFB-AOIWGVFYSA-N 2 1 301.478 3.429 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)cc(C)n2)CC1 ZINC000270198217 208265801 /nfs/dbraw/zinc/26/58/01/208265801.db2.gz BXIJIOFIKQMMND-UHFFFAOYSA-N 2 1 319.493 3.343 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337398920 253106489 /nfs/dbraw/zinc/10/64/89/253106489.db2.gz CLXDTGIZJGMDFN-BMFAXAFESA-N 2 1 308.510 3.434 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337398923 253106546 /nfs/dbraw/zinc/10/65/46/253106546.db2.gz CLXDTGIZJGMDFN-NTDBWNAOSA-N 2 1 308.510 3.434 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337332003 253089192 /nfs/dbraw/zinc/08/91/92/253089192.db2.gz HWLHDKSFRIFRNP-ZIFCJYIRSA-N 2 1 301.478 3.429 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)COC(C)C)cc1F ZINC000337333650 253089918 /nfs/dbraw/zinc/08/99/18/253089918.db2.gz JWYODSTYLCYWSB-ZDUSSCGKSA-N 2 1 305.397 3.223 20 0 DGADMP Cc1ncc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337811282 253177750 /nfs/dbraw/zinc/17/77/50/253177750.db2.gz MLFAEDMOZDZUTM-IBGZPJMESA-N 2 1 324.472 3.175 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cn1 ZINC000337811282 253177753 /nfs/dbraw/zinc/17/77/53/253177753.db2.gz MLFAEDMOZDZUTM-IBGZPJMESA-N 2 1 324.472 3.175 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C12CCCCC2 ZINC000338013985 253210464 /nfs/dbraw/zinc/21/04/64/253210464.db2.gz PRHXTWLIFQHQPG-DLBZAZTESA-N 2 1 305.466 3.299 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000338016816 253210773 /nfs/dbraw/zinc/21/07/73/253210773.db2.gz ZEMMASSATUWSQS-LJQANCHMSA-N 2 1 315.461 3.413 20 0 DGADMP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302087 253261198 /nfs/dbraw/zinc/26/11/98/253261198.db2.gz IJYBWKJMWOUMJE-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000338302087 253261200 /nfs/dbraw/zinc/26/12/00/253261200.db2.gz IJYBWKJMWOUMJE-UYAOXDASSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302087 253261201 /nfs/dbraw/zinc/26/12/01/253261201.db2.gz IJYBWKJMWOUMJE-UYAOXDASSA-N 3 1 317.521 3.219 20 0 DGADMP COCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159310930 197343539 /nfs/dbraw/zinc/34/35/39/197343539.db2.gz GUOKFMJXAYDROP-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP COCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159310930 197343541 /nfs/dbraw/zinc/34/35/41/197343541.db2.gz GUOKFMJXAYDROP-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP COCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159310930 197343543 /nfs/dbraw/zinc/34/35/43/197343543.db2.gz GUOKFMJXAYDROP-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000338544637 253307955 /nfs/dbraw/zinc/30/79/55/253307955.db2.gz CVIFOYOHCSKVOT-PKOBYXMFSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544637 253307958 /nfs/dbraw/zinc/30/79/58/253307958.db2.gz CVIFOYOHCSKVOT-PKOBYXMFSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544637 253307959 /nfs/dbraw/zinc/30/79/59/253307959.db2.gz CVIFOYOHCSKVOT-PKOBYXMFSA-N 2 1 302.462 3.038 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000158886828 197308214 /nfs/dbraw/zinc/30/82/14/197308214.db2.gz WCVYYDTZRLJXIG-HDMKZQKVSA-N 2 1 317.477 3.244 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650416 197291462 /nfs/dbraw/zinc/29/14/62/197291462.db2.gz HUEMPQCEHJLWSJ-HOCLYGCPSA-N 2 1 308.466 3.334 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650416 197291464 /nfs/dbraw/zinc/29/14/64/197291464.db2.gz HUEMPQCEHJLWSJ-HOCLYGCPSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650416 197291466 /nfs/dbraw/zinc/29/14/66/197291466.db2.gz HUEMPQCEHJLWSJ-HOCLYGCPSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650416 197291467 /nfs/dbraw/zinc/29/14/67/197291467.db2.gz HUEMPQCEHJLWSJ-HOCLYGCPSA-N 2 1 308.466 3.334 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000158744933 197298150 /nfs/dbraw/zinc/29/81/50/197298150.db2.gz DDCKSMBSQMYTIV-KRWDZBQOSA-N 2 1 314.477 3.292 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)s1 ZINC000339449080 253471848 /nfs/dbraw/zinc/47/18/48/253471848.db2.gz MOHJMEXFGXWYGQ-SJLPKXTDSA-N 2 1 315.486 3.488 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCn2ccnc2C)C12CCCCC2 ZINC000342606237 254016548 /nfs/dbraw/zinc/01/65/48/254016548.db2.gz KAEOGUHYKGZVOX-DLBZAZTESA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606237 254016549 /nfs/dbraw/zinc/01/65/49/254016549.db2.gz KAEOGUHYKGZVOX-DLBZAZTESA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606237 254016551 /nfs/dbraw/zinc/01/65/51/254016551.db2.gz KAEOGUHYKGZVOX-DLBZAZTESA-N 2 1 305.466 3.251 20 0 DGADMP CC[C@@H](CO)[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342634164 254022878 /nfs/dbraw/zinc/02/28/78/254022878.db2.gz PASALGBVCUKEFF-IBGZPJMESA-N 2 1 315.461 3.245 20 0 DGADMP CC[C@@H](CO)[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342634164 254022880 /nfs/dbraw/zinc/02/28/80/254022880.db2.gz PASALGBVCUKEFF-IBGZPJMESA-N 2 1 315.461 3.245 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC2(C)C)[C@@H](c2ccccc2)C1 ZINC000342663601 254027874 /nfs/dbraw/zinc/02/78/74/254027874.db2.gz JJDBUIZEPFINEP-RTBURBONSA-N 2 1 315.505 3.143 20 0 DGADMP CC(C)[C@@H]1CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000342851631 254065749 /nfs/dbraw/zinc/06/57/49/254065749.db2.gz RAZCYGRBMZKHJX-IBGZPJMESA-N 2 1 315.505 3.447 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000420327889 533121875 /nfs/dbraw/zinc/12/18/75/533121875.db2.gz ZBKMNUGMBPBBST-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP CC[N@H+]1C[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343076989 254095160 /nfs/dbraw/zinc/09/51/60/254095160.db2.gz YOBBQAIQJZUKGK-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1C[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343076989 254095162 /nfs/dbraw/zinc/09/51/62/254095162.db2.gz YOBBQAIQJZUKGK-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCC(=O)OC(C)(C)C)CC1 ZINC000343524083 254155276 /nfs/dbraw/zinc/15/52/76/254155276.db2.gz IINFCXPWUSWGRE-UHFFFAOYSA-N 2 1 312.498 3.303 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000343442452 254143510 /nfs/dbraw/zinc/14/35/10/254143510.db2.gz IVPISWWTRCDYPH-MHORFTMASA-N 2 1 301.478 3.489 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000343442452 254143511 /nfs/dbraw/zinc/14/35/11/254143511.db2.gz IVPISWWTRCDYPH-MHORFTMASA-N 2 1 301.478 3.489 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC2CC2)cc1 ZINC000343609112 254167444 /nfs/dbraw/zinc/16/74/44/254167444.db2.gz WJSJYRSBCFYKHA-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC2CC2)cc1 ZINC000343609112 254167445 /nfs/dbraw/zinc/16/74/45/254167445.db2.gz WJSJYRSBCFYKHA-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCCSC)CC1 ZINC000343707896 254179640 /nfs/dbraw/zinc/17/96/40/254179640.db2.gz VQGPQTNOMQUQJV-UHFFFAOYSA-N 2 1 321.534 3.013 20 0 DGADMP CCC1(CC)[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H](C)[C@H]1OC ZINC000344082486 254222523 /nfs/dbraw/zinc/22/25/23/254222523.db2.gz ZEJOACISRFVOHX-DJIMGWMZSA-N 2 1 307.482 3.401 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[N@H+]1C ZINC000344633197 254291400 /nfs/dbraw/zinc/29/14/00/254291400.db2.gz RCSUGOIYLFYNJP-LRDDRELGSA-N 2 1 318.852 3.302 20 0 DGADMP CCC1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000344541636 254281194 /nfs/dbraw/zinc/28/11/94/254281194.db2.gz VWMVRZVQGFLWND-LYBXBRPPSA-N 2 1 316.489 3.182 20 0 DGADMP CCC1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344541636 254281195 /nfs/dbraw/zinc/28/11/95/254281195.db2.gz VWMVRZVQGFLWND-LYBXBRPPSA-N 2 1 316.489 3.182 20 0 DGADMP CCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000344761262 254302895 /nfs/dbraw/zinc/30/28/95/254302895.db2.gz CFOUZLUGAQSILI-ZWKOTPCHSA-N 2 1 306.498 3.283 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344768587 254303507 /nfs/dbraw/zinc/30/35/07/254303507.db2.gz TWAKURFUWWZBKV-YLJYHZDGSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344768587 254303509 /nfs/dbraw/zinc/30/35/09/254303509.db2.gz TWAKURFUWWZBKV-YLJYHZDGSA-N 2 1 316.489 3.182 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(O)c1 ZINC000344802819 254307218 /nfs/dbraw/zinc/30/72/18/254307218.db2.gz FNEYEKMLPGUWTD-DLBZAZTESA-N 2 1 320.477 3.391 20 0 DGADMP CC(C)OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156932974 197151369 /nfs/dbraw/zinc/15/13/69/197151369.db2.gz MPBIYGQRJMOODD-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156932974 197151371 /nfs/dbraw/zinc/15/13/71/197151371.db2.gz MPBIYGQRJMOODD-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156932974 197151373 /nfs/dbraw/zinc/15/13/73/197151373.db2.gz MPBIYGQRJMOODD-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156932974 197151374 /nfs/dbraw/zinc/15/13/74/197151374.db2.gz MPBIYGQRJMOODD-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000345675610 254386303 /nfs/dbraw/zinc/38/63/03/254386303.db2.gz LMVKTQAPOPIXDD-CQSZACIVSA-N 2 1 306.498 3.472 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272367402 285210825 /nfs/dbraw/zinc/21/08/25/285210825.db2.gz ARVQZSUIUZHVQI-HAGHYFMRSA-N 2 1 316.489 3.179 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195663 197094396 /nfs/dbraw/zinc/09/43/96/197094396.db2.gz LIVZUQJHWJAAQB-VQIMIIECSA-N 2 1 314.477 3.371 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195663 197094398 /nfs/dbraw/zinc/09/43/98/197094398.db2.gz LIVZUQJHWJAAQB-VQIMIIECSA-N 2 1 314.477 3.371 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000155767885 197075166 /nfs/dbraw/zinc/07/51/66/197075166.db2.gz YPLNOMGWUHUTRG-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnccc2C)[C@@H](C)C1 ZINC000271574514 209025557 /nfs/dbraw/zinc/02/55/57/209025557.db2.gz QEFCZTLNSFMNGD-LNLFQRSKSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnccc2C)[C@@H](C)C1 ZINC000271574514 209025559 /nfs/dbraw/zinc/02/55/59/209025559.db2.gz QEFCZTLNSFMNGD-LNLFQRSKSA-N 2 1 319.493 3.178 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000305804559 285289973 /nfs/dbraw/zinc/28/99/73/285289973.db2.gz YQUXVRMRDSKQED-IEBWSBKVSA-N 2 1 320.452 3.030 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000313690702 285304421 /nfs/dbraw/zinc/30/44/21/285304421.db2.gz KZNYLPBNENQIJH-WFASDCNBSA-N 2 1 311.267 3.187 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289791930 221230477 /nfs/dbraw/zinc/23/04/77/221230477.db2.gz SALZCGXVBOOYKZ-JWTNVVGKSA-N 2 1 314.473 3.457 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289791930 221230479 /nfs/dbraw/zinc/23/04/79/221230479.db2.gz SALZCGXVBOOYKZ-JWTNVVGKSA-N 2 1 314.473 3.457 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289791930 221230480 /nfs/dbraw/zinc/23/04/80/221230480.db2.gz SALZCGXVBOOYKZ-JWTNVVGKSA-N 2 1 314.473 3.457 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294935860 224323342 /nfs/dbraw/zinc/32/33/42/224323342.db2.gz BWZKWAMLPZKWIU-RYRKJORJSA-N 2 1 304.478 3.036 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858794 221274205 /nfs/dbraw/zinc/27/42/05/221274205.db2.gz RLRRKBMMRPSSPG-DYVFJYSZSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858794 221274208 /nfs/dbraw/zinc/27/42/08/221274208.db2.gz RLRRKBMMRPSSPG-DYVFJYSZSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289960336 221342900 /nfs/dbraw/zinc/34/29/00/221342900.db2.gz ZBQNOWBMDNJNKO-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289960336 221342902 /nfs/dbraw/zinc/34/29/02/221342902.db2.gz ZBQNOWBMDNJNKO-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289960336 221342905 /nfs/dbraw/zinc/34/29/05/221342905.db2.gz ZBQNOWBMDNJNKO-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289960336 221342906 /nfs/dbraw/zinc/34/29/06/221342906.db2.gz ZBQNOWBMDNJNKO-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000352242410 285352044 /nfs/dbraw/zinc/35/20/44/285352044.db2.gz VCKHXDBGHRIZKY-ROUUACIJSA-N 2 1 324.509 3.306 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000352242410 285352047 /nfs/dbraw/zinc/35/20/47/285352047.db2.gz VCKHXDBGHRIZKY-ROUUACIJSA-N 2 1 324.509 3.306 20 0 DGADMP CCCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352540910 285355458 /nfs/dbraw/zinc/35/54/58/285355458.db2.gz REDZVOWCGLBUOX-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352540910 285355460 /nfs/dbraw/zinc/35/54/60/285355460.db2.gz REDZVOWCGLBUOX-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161542985 285358504 /nfs/dbraw/zinc/35/85/04/285358504.db2.gz MVGOYUNVYQBRLE-DLBZAZTESA-N 2 1 306.450 3.044 20 0 DGADMP O[C@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161542985 285358512 /nfs/dbraw/zinc/35/85/12/285358512.db2.gz MVGOYUNVYQBRLE-DLBZAZTESA-N 2 1 306.450 3.044 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@H](C)C1 ZINC000121627340 195319324 /nfs/dbraw/zinc/31/93/24/195319324.db2.gz HMDSLIXLLONOFT-KPFFTGBYSA-N 2 1 316.489 3.053 20 0 DGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCCC23CCOCC3)([NH+](C)C)C1 ZINC000319669437 296455447 /nfs/dbraw/zinc/45/54/47/296455447.db2.gz PDWBJOAWFRISOQ-ZIFCJYIRSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414786823 533353997 /nfs/dbraw/zinc/35/39/97/533353997.db2.gz UYHNIYVXTZLAGY-GJZGRUSLSA-N 2 1 314.429 3.263 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408525 533382144 /nfs/dbraw/zinc/38/21/44/533382144.db2.gz BSUVAIDUGLYRDL-ZWKOTPCHSA-N 2 1 318.505 3.443 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408525 533382147 /nfs/dbraw/zinc/38/21/47/533382147.db2.gz BSUVAIDUGLYRDL-ZWKOTPCHSA-N 2 1 318.505 3.443 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742837 533530309 /nfs/dbraw/zinc/53/03/09/533530309.db2.gz WOIRKRZEOZYPEY-LMSBXDPUSA-N 2 1 304.503 3.381 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCC(C)C ZINC000435435134 533545335 /nfs/dbraw/zinc/54/53/35/533545335.db2.gz AINVVHKWRCWXNW-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCC(C)C ZINC000442916952 533557294 /nfs/dbraw/zinc/55/72/94/533557294.db2.gz BDUAUQAPCIUBDO-INIZCTEOSA-N 2 1 320.477 3.291 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000415123135 533564688 /nfs/dbraw/zinc/56/46/88/533564688.db2.gz IXWNWPVRXPOKFX-WBVHZDCISA-N 2 1 320.477 3.147 20 0 DGADMP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000278327924 292033243 /nfs/dbraw/zinc/03/32/43/292033243.db2.gz VUVXAVMREXMFNL-LSDHHAIUSA-N 2 1 322.449 3.229 20 0 DGADMP O[C@@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000091306315 400112093 /nfs/dbraw/zinc/11/20/93/400112093.db2.gz VOOQUTAUMLFZKY-QFBILLFUSA-N 2 1 320.452 3.103 20 0 DGADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000090919118 400082335 /nfs/dbraw/zinc/08/23/35/400082335.db2.gz KTJLWNQBPBINLQ-HUUCEWRRSA-N 2 1 306.400 3.213 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000090956490 400083718 /nfs/dbraw/zinc/08/37/18/400083718.db2.gz BJFSJCMLOHLOKA-WBMJQRKESA-N 2 1 310.844 3.441 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCCC3(C)C)C2)CC1 ZINC000595336458 400130068 /nfs/dbraw/zinc/13/00/68/400130068.db2.gz HMUUGMRSPOQGTB-RTBURBONSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608991494 400135408 /nfs/dbraw/zinc/13/54/08/400135408.db2.gz ZRXUZXNIJIUGBS-SFHVURJKSA-N 2 1 324.509 3.306 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(F)cn3)CC2)[nH+]c1 ZINC000092752369 400201181 /nfs/dbraw/zinc/20/11/81/400201181.db2.gz FQJHDOGWRUZFAG-AWEZNQCLSA-N 2 1 314.408 3.244 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2occc2C)CC1 ZINC000093769457 400254849 /nfs/dbraw/zinc/25/48/49/400254849.db2.gz LQYNLWOEFWXSRJ-UHFFFAOYSA-N 2 1 308.466 3.158 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982128 400265441 /nfs/dbraw/zinc/26/54/41/400265441.db2.gz AYWBPTSERKQLLR-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982128 400265447 /nfs/dbraw/zinc/26/54/47/400265447.db2.gz AYWBPTSERKQLLR-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641533 400314630 /nfs/dbraw/zinc/31/46/30/400314630.db2.gz NJHVEXJJRKPZQX-IYBDPMFKSA-N 2 1 314.477 3.411 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641533 400314631 /nfs/dbraw/zinc/31/46/31/400314631.db2.gz NJHVEXJJRKPZQX-IYBDPMFKSA-N 2 1 314.477 3.411 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641533 400314632 /nfs/dbraw/zinc/31/46/32/400314632.db2.gz NJHVEXJJRKPZQX-IYBDPMFKSA-N 2 1 314.477 3.411 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641814 400314666 /nfs/dbraw/zinc/31/46/66/400314666.db2.gz PUFNDWFBQKXJPH-HUUCEWRRSA-N 2 1 300.450 3.021 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(Br)c1 ZINC000069754416 400341209 /nfs/dbraw/zinc/34/12/09/400341209.db2.gz MBUBFMOZJGOONS-UHFFFAOYSA-N 2 1 314.252 3.195 20 0 DGADMP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+](C)C1CC1 ZINC000073331794 400443260 /nfs/dbraw/zinc/44/32/60/400443260.db2.gz WIHBWFMAMMTWNT-CQSZACIVSA-N 2 1 324.428 3.038 20 0 DGADMP C/C(=C/c1ccccc1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000591726794 400552121 /nfs/dbraw/zinc/55/21/21/400552121.db2.gz VZQAHZJOSPZWCX-SDXDJHTJSA-N 2 1 314.473 3.325 20 0 DGADMP CSC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000602726845 400552926 /nfs/dbraw/zinc/55/29/26/400552926.db2.gz CDMVUEUACVLTHJ-WBVHZDCISA-N 2 1 304.503 3.240 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591869479 400568310 /nfs/dbraw/zinc/56/83/10/400568310.db2.gz YTKZYPVQHHDREZ-CQSZACIVSA-N 2 1 307.344 3.322 20 0 DGADMP FC(F)Oc1ccccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000591869479 400568313 /nfs/dbraw/zinc/56/83/13/400568313.db2.gz YTKZYPVQHHDREZ-CQSZACIVSA-N 2 1 307.344 3.322 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000052209657 400723554 /nfs/dbraw/zinc/72/35/54/400723554.db2.gz PMRJQLIWCMFSPT-IBGZPJMESA-N 2 1 304.478 3.164 20 0 DGADMP Fc1ccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000157342218 400716310 /nfs/dbraw/zinc/71/63/10/400716310.db2.gz UOYCKWIZXBHWMA-HNNXBMFYSA-N 2 1 308.466 3.336 20 0 DGADMP Fc1ccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000157342218 400716313 /nfs/dbraw/zinc/71/63/13/400716313.db2.gz UOYCKWIZXBHWMA-HNNXBMFYSA-N 2 1 308.466 3.336 20 0 DGADMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000619231200 400805046 /nfs/dbraw/zinc/80/50/46/400805046.db2.gz DQDRTUOYRMWTSQ-UHFFFAOYSA-N 2 1 317.521 3.235 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3Cc4ccccc4CO3)CC[NH2+]2)cc1 ZINC000629514907 400952297 /nfs/dbraw/zinc/95/22/97/400952297.db2.gz VQTCWTAABFWTNA-HKBOAZHASA-N 2 1 322.452 3.211 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000056524979 400933469 /nfs/dbraw/zinc/93/34/69/400933469.db2.gz VJDVCLXUZPYPDP-UHFFFAOYSA-N 2 1 303.406 3.098 20 0 DGADMP COC[C@H](C)[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629590272 400984589 /nfs/dbraw/zinc/98/45/89/400984589.db2.gz SFSNPXZBQYWZJK-OXJNMPFZSA-N 2 1 316.489 3.401 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629589868 400985237 /nfs/dbraw/zinc/98/52/37/400985237.db2.gz BTQUJINCUVIIHL-TXPKVOOTSA-N 2 1 302.462 3.010 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@H]1C(F)(F)F ZINC000629653309 401021049 /nfs/dbraw/zinc/02/10/49/401021049.db2.gz DUWBRPKYVPZNSW-HUUCEWRRSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1C(F)(F)F ZINC000629653309 401021057 /nfs/dbraw/zinc/02/10/57/401021057.db2.gz DUWBRPKYVPZNSW-HUUCEWRRSA-N 2 1 323.362 3.194 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317628 401020782 /nfs/dbraw/zinc/02/07/82/401020782.db2.gz TWKWFRSQMZOBPQ-JKSUJKDBSA-N 2 1 312.498 3.016 20 0 DGADMP CCC[C@H](C)CCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000599301866 401017192 /nfs/dbraw/zinc/01/71/92/401017192.db2.gz DBAMIQPTMBGASY-OALUTQOASA-N 2 1 309.542 3.303 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000629532991 400963112 /nfs/dbraw/zinc/96/31/12/400963112.db2.gz CDSJGWYCBLCGGO-QZTJIDSGSA-N 2 1 309.457 3.365 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533098 400963155 /nfs/dbraw/zinc/96/31/55/400963155.db2.gz HRDBTIGXTARTKF-SJLPKXTDSA-N 2 1 301.478 3.335 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533097 400963298 /nfs/dbraw/zinc/96/32/98/400963298.db2.gz HRDBTIGXTARTKF-FUHWJXTLSA-N 2 1 301.478 3.335 20 0 DGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532158 400963968 /nfs/dbraw/zinc/96/39/68/400963968.db2.gz ONTKEEKEYIYRBD-KBPBESRZSA-N 2 1 308.853 3.257 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@@H]21 ZINC000230048704 400968070 /nfs/dbraw/zinc/96/80/70/400968070.db2.gz VVIPDADLLOUKFN-RRQGHBQHSA-N 2 1 308.853 3.168 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629652463 401018031 /nfs/dbraw/zinc/01/80/31/401018031.db2.gz BUFHHDDTQUADAA-UXHICEINSA-N 2 1 314.473 3.005 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629560009 400975011 /nfs/dbraw/zinc/97/50/11/400975011.db2.gz CHIUQMSQVLUGED-CABCVRRESA-N 2 1 300.368 3.263 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629560009 400975020 /nfs/dbraw/zinc/97/50/20/400975020.db2.gz CHIUQMSQVLUGED-CABCVRRESA-N 2 1 300.368 3.263 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561364 400975209 /nfs/dbraw/zinc/97/52/09/400975209.db2.gz HXLIINQBDQXTNB-GMTAPVOTSA-N 2 1 302.331 3.127 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563829 400977401 /nfs/dbraw/zinc/97/74/01/400977401.db2.gz GDNREKPZOHPLAT-HUUCEWRRSA-N 2 1 300.368 3.263 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)s1 ZINC000629561536 400978028 /nfs/dbraw/zinc/97/80/28/400978028.db2.gz IKXSULGCTZFQGN-QWHCGFSZSA-N 2 1 306.397 3.324 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)s1 ZINC000629561536 400978035 /nfs/dbraw/zinc/97/80/35/400978035.db2.gz IKXSULGCTZFQGN-QWHCGFSZSA-N 2 1 306.397 3.324 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000606901383 400978896 /nfs/dbraw/zinc/97/88/96/400978896.db2.gz GKAFEROUAUZNKU-SFHVURJKSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000606901383 400978900 /nfs/dbraw/zinc/97/89/00/400978900.db2.gz GKAFEROUAUZNKU-SFHVURJKSA-N 2 1 302.462 3.100 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629565550 400979341 /nfs/dbraw/zinc/97/93/41/400979341.db2.gz KIKAQOOPONOYKT-GJZGRUSLSA-N 2 1 300.368 3.078 20 0 DGADMP CCOCC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629576936 400979566 /nfs/dbraw/zinc/97/95/66/400979566.db2.gz WXYGLAJNEFMNAR-FQEVSTJZSA-N 2 1 316.489 3.402 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657560 401021972 /nfs/dbraw/zinc/02/19/72/401021972.db2.gz ZTPACGBTNMAHKA-GWCFXTLKSA-N 2 1 306.397 3.270 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657560 401021975 /nfs/dbraw/zinc/02/19/75/401021975.db2.gz ZTPACGBTNMAHKA-GWCFXTLKSA-N 2 1 306.397 3.270 20 0 DGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223203 286002203 /nfs/dbraw/zinc/00/22/03/286002203.db2.gz AGDZHJGCNAUMTR-NHCUHLMSSA-N 2 1 324.468 3.017 20 0 DGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223203 286002205 /nfs/dbraw/zinc/00/22/05/286002205.db2.gz AGDZHJGCNAUMTR-NHCUHLMSSA-N 2 1 324.468 3.017 20 0 DGADMP CCOc1cncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000621329297 401167607 /nfs/dbraw/zinc/16/76/07/401167607.db2.gz YBUNVMKOUHEJBN-CALCHBBNSA-N 2 1 319.493 3.328 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)CCC2(C)C)CC1 ZINC000625723194 401194256 /nfs/dbraw/zinc/19/42/56/401194256.db2.gz MSRZMZZZKXPKIG-UHFFFAOYSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000089555316 401227397 /nfs/dbraw/zinc/22/73/97/401227397.db2.gz RTGIWGRPUAQTLA-RDJZCZTQSA-N 2 1 304.478 3.293 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634686767 401335180 /nfs/dbraw/zinc/33/51/80/401335180.db2.gz RPAZVUXQZSCCIX-BHIYHBOVSA-N 2 1 316.489 3.302 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(OC)c1 ZINC000626063271 401292226 /nfs/dbraw/zinc/29/22/26/401292226.db2.gz XZCPPSFHMVGELK-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP Nc1ccc(-c2cccc(C[N@H+]3CCCC[C@H]3CC[NH3+])n2)cc1 ZINC000634994476 401397825 /nfs/dbraw/zinc/39/78/25/401397825.db2.gz DXMXJBTYYWCJDG-SFHVURJKSA-N 2 1 310.445 3.034 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000631187429 401420043 /nfs/dbraw/zinc/42/00/43/401420043.db2.gz GJEAWMULPXGEBB-JFTQMJAMSA-N 2 1 322.399 3.011 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000631195559 401422796 /nfs/dbraw/zinc/42/27/96/401422796.db2.gz ZBSHSLOZCQXVLF-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631196025 401423755 /nfs/dbraw/zinc/42/37/55/401423755.db2.gz MXXXUXZDLTXCFU-UZLBHIALSA-N 2 1 309.457 3.248 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)[C@H](C)C1 ZINC000189124989 286059921 /nfs/dbraw/zinc/05/99/21/286059921.db2.gz MSMGOMUERAVXHM-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000623086817 401462914 /nfs/dbraw/zinc/46/29/14/401462914.db2.gz LPVQBWJPVOZUNZ-UHFFFAOYSA-N 2 1 321.424 3.331 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635739880 401478808 /nfs/dbraw/zinc/47/88/08/401478808.db2.gz GNTYVXFHIDUGNX-SFHVURJKSA-N 2 1 315.461 3.012 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631564164 401497985 /nfs/dbraw/zinc/49/79/85/401497985.db2.gz CRCYLYJEQFWSHR-KRWDZBQOSA-N 2 1 318.461 3.373 20 0 DGADMP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(OC)c1OC ZINC000631564420 401499127 /nfs/dbraw/zinc/49/91/27/401499127.db2.gz OABPJSGWVLSOKE-INIZCTEOSA-N 2 1 306.450 3.230 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCCc3ncccc31)C2 ZINC000631568275 401499522 /nfs/dbraw/zinc/49/95/22/401499522.db2.gz UYTOZDJBHVEHPA-NRFANRHFSA-N 2 1 321.468 3.497 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCCc3ncccc31)C2 ZINC000631568275 401499525 /nfs/dbraw/zinc/49/95/25/401499525.db2.gz UYTOZDJBHVEHPA-NRFANRHFSA-N 2 1 321.468 3.497 20 0 DGADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(C(F)(F)F)c1 ZINC000623384170 401505668 /nfs/dbraw/zinc/50/56/68/401505668.db2.gz RAULDPKQCAWQOD-NSHDSACASA-N 2 1 304.356 3.144 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000631587913 401507415 /nfs/dbraw/zinc/50/74/15/401507415.db2.gz OWUIRLPDGKJGDB-IHBAFOEMSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000631587913 401507416 /nfs/dbraw/zinc/50/74/16/401507416.db2.gz OWUIRLPDGKJGDB-IHBAFOEMSA-N 2 1 300.446 3.287 20 0 DGADMP Cc1ncncc1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631666092 401529265 /nfs/dbraw/zinc/52/92/65/401529265.db2.gz ZVPRKTZWLAXVFD-GJYPPUQNSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631666092 401529268 /nfs/dbraw/zinc/52/92/68/401529268.db2.gz ZVPRKTZWLAXVFD-GJYPPUQNSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631666092 401529271 /nfs/dbraw/zinc/52/92/71/401529271.db2.gz ZVPRKTZWLAXVFD-GJYPPUQNSA-N 2 1 324.472 3.204 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000623655799 401562338 /nfs/dbraw/zinc/56/23/38/401562338.db2.gz FSUIURMYGDRLBN-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000623655800 401562528 /nfs/dbraw/zinc/56/25/28/401562528.db2.gz FSUIURMYGDRLBN-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)n1-c1ccccc1 ZINC000623656134 401563884 /nfs/dbraw/zinc/56/38/84/401563884.db2.gz NVHUYSROQXNGKB-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)n1-c1ccccc1 ZINC000623656134 401563888 /nfs/dbraw/zinc/56/38/88/401563888.db2.gz NVHUYSROQXNGKB-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1ccc([C@@H](C)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000628278061 401565697 /nfs/dbraw/zinc/56/56/97/401565697.db2.gz XJCDPQWBTZYYDS-SFHVURJKSA-N 2 1 317.521 3.056 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000623784882 401579690 /nfs/dbraw/zinc/57/96/90/401579690.db2.gz NXQLKNIBCVETGU-RTBURBONSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000623784882 401579691 /nfs/dbraw/zinc/57/96/91/401579691.db2.gz NXQLKNIBCVETGU-RTBURBONSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1cccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)c1 ZINC000623872065 401591491 /nfs/dbraw/zinc/59/14/91/401591491.db2.gz UQLNPQSSZPVKND-LJQANCHMSA-N 2 1 304.478 3.129 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000623894508 401595597 /nfs/dbraw/zinc/59/55/97/401595597.db2.gz UWLGSJWPVUSVEQ-GOSISDBHSA-N 2 1 304.478 3.098 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1O ZINC000628425951 401595828 /nfs/dbraw/zinc/59/58/28/401595828.db2.gz ZZHOAZYFLXYCME-DOTOQJQBSA-N 2 1 320.477 3.043 20 0 DGADMP Cc1nc(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[nH]c1C ZINC000628186567 401544918 /nfs/dbraw/zinc/54/49/18/401544918.db2.gz OMYZDNFXZDMETO-OAHLLOKOSA-N 2 1 312.461 3.123 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628203234 401549588 /nfs/dbraw/zinc/54/95/88/401549588.db2.gz ZCJOPZDUTACTOP-GASCZTMLSA-N 2 1 305.466 3.400 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000628211105 401551081 /nfs/dbraw/zinc/55/10/81/401551081.db2.gz WRCUHBNUQFFEIB-CQSZACIVSA-N 2 1 309.335 3.049 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000623647032 401561414 /nfs/dbraw/zinc/56/14/14/401561414.db2.gz WXKYNTRTXYONCL-YSIASYRMSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000623647032 401561417 /nfs/dbraw/zinc/56/14/17/401561417.db2.gz WXKYNTRTXYONCL-YSIASYRMSA-N 2 1 318.505 3.426 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119628 401628428 /nfs/dbraw/zinc/62/84/28/401628428.db2.gz GJHMLEARYULUFZ-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119628 401628430 /nfs/dbraw/zinc/62/84/30/401628430.db2.gz GJHMLEARYULUFZ-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121137 401628472 /nfs/dbraw/zinc/62/84/72/401628472.db2.gz OSXBNYKQVPWLAA-PKOBYXMFSA-N 2 1 322.468 3.095 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000624300478 401647859 /nfs/dbraw/zinc/64/78/59/401647859.db2.gz IHVIHRXEWIZWKP-WAPOTWQKSA-N 2 1 314.473 3.197 20 0 DGADMP COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120064 401628619 /nfs/dbraw/zinc/62/86/19/401628619.db2.gz QQXKLNFCNOWZIV-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624120064 401628620 /nfs/dbraw/zinc/62/86/20/401628620.db2.gz QQXKLNFCNOWZIV-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120064 401628622 /nfs/dbraw/zinc/62/86/22/401628622.db2.gz QQXKLNFCNOWZIV-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624124129 401629767 /nfs/dbraw/zinc/62/97/67/401629767.db2.gz XWWGFOZJLHNTSH-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000624124129 401629768 /nfs/dbraw/zinc/62/97/68/401629768.db2.gz XWWGFOZJLHNTSH-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123397 401629796 /nfs/dbraw/zinc/62/97/96/401629796.db2.gz LCZWQSZTGMDNMB-CJNGLKHVSA-N 2 1 306.425 3.143 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cncn2C)CC1)CC(C)C ZINC000358747641 286140579 /nfs/dbraw/zinc/14/05/79/286140579.db2.gz TYQWCRPARDVXIK-UHFFFAOYSA-N 2 1 306.498 3.000 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000358751451 286142093 /nfs/dbraw/zinc/14/20/93/286142093.db2.gz IUKPFYFWSAQNBV-GOSISDBHSA-N 2 1 312.461 3.039 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321575 286283446 /nfs/dbraw/zinc/28/34/46/286283446.db2.gz LAJDLMCJTHIYBY-JDFRZJQESA-N 2 1 317.433 3.303 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321575 286283448 /nfs/dbraw/zinc/28/34/48/286283448.db2.gz LAJDLMCJTHIYBY-JDFRZJQESA-N 2 1 317.433 3.303 20 0 DGADMP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359407868 286301525 /nfs/dbraw/zinc/30/15/25/286301525.db2.gz ANZGQCOBNBPTEW-RBUKOAKNSA-N 2 1 302.462 3.187 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000359429979 286307052 /nfs/dbraw/zinc/30/70/52/286307052.db2.gz COMJKWHSMHKAEI-HNNXBMFYSA-N 2 1 316.470 3.431 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]2C ZINC000359535806 286329582 /nfs/dbraw/zinc/32/95/82/286329582.db2.gz IXCBZXQWWDQXLO-ZOBUZTSGSA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]2C ZINC000359535806 286329584 /nfs/dbraw/zinc/32/95/84/286329584.db2.gz IXCBZXQWWDQXLO-ZOBUZTSGSA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]2C ZINC000359535806 286329585 /nfs/dbraw/zinc/32/95/85/286329585.db2.gz IXCBZXQWWDQXLO-ZOBUZTSGSA-N 2 1 302.462 3.487 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000359633109 286350885 /nfs/dbraw/zinc/35/08/85/286350885.db2.gz CKZJNSKRHSHYMG-CQSZACIVSA-N 2 1 322.415 3.342 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC000359941621 286393225 /nfs/dbraw/zinc/39/32/25/286393225.db2.gz LFDZCGIRNDOFME-CABCVRRESA-N 2 1 304.482 3.399 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000359935472 286391858 /nfs/dbraw/zinc/39/18/58/286391858.db2.gz POJCEFMVACCJCV-BRWVUGGUSA-N 2 1 304.478 3.432 20 0 DGADMP COCCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000361436063 286672890 /nfs/dbraw/zinc/67/28/90/286672890.db2.gz RDMMIXZHTYZHFS-UHFFFAOYSA-N 2 1 316.489 3.242 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000414844865 287014191 /nfs/dbraw/zinc/01/41/91/287014191.db2.gz DDKQFCMUAVOBMN-VXNCWWDNSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000364827956 287065287 /nfs/dbraw/zinc/06/52/87/287065287.db2.gz CGGJSJHMYHXNRG-FGTMMUONSA-N 2 1 318.509 3.300 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000364946932 287078326 /nfs/dbraw/zinc/07/83/26/287078326.db2.gz HFKZRZPQELGCOA-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000364946932 287078327 /nfs/dbraw/zinc/07/83/27/287078327.db2.gz HFKZRZPQELGCOA-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000185637035 165011357 /nfs/dbraw/zinc/01/13/57/165011357.db2.gz KGFGUYXBQZFCBD-QANKJYHBSA-N 2 1 315.461 3.134 20 0 DGADMP CCc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000192590750 165298176 /nfs/dbraw/zinc/29/81/76/165298176.db2.gz HAOBHPRENRGYPZ-NXEWRWPSSA-N 2 1 315.505 3.067 20 0 DGADMP CCc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000192590750 165298181 /nfs/dbraw/zinc/29/81/81/165298181.db2.gz HAOBHPRENRGYPZ-NXEWRWPSSA-N 2 1 315.505 3.067 20 0 DGADMP CCc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000192590750 165298184 /nfs/dbraw/zinc/29/81/84/165298184.db2.gz HAOBHPRENRGYPZ-NXEWRWPSSA-N 2 1 315.505 3.067 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192920239 165310505 /nfs/dbraw/zinc/31/05/05/165310505.db2.gz CGOAKRXROAVLDN-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1OC(C)C ZINC000262087809 165785179 /nfs/dbraw/zinc/78/51/79/165785179.db2.gz UONLXVGVFXHIRC-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)s2)c1 ZINC000365956410 287191836 /nfs/dbraw/zinc/19/18/36/287191836.db2.gz REXUZQYVRPJNJA-STQMWFEESA-N 2 1 303.431 3.120 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)s2)c1 ZINC000365956410 287191837 /nfs/dbraw/zinc/19/18/37/287191837.db2.gz REXUZQYVRPJNJA-STQMWFEESA-N 2 1 303.431 3.120 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000193134008 287219269 /nfs/dbraw/zinc/21/92/69/287219269.db2.gz JOPFMYUMCUAFPM-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130869 432152769 /nfs/dbraw/zinc/15/27/69/432152769.db2.gz KNSKYEAOPOHIMA-GDBMZVCRSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130869 432152775 /nfs/dbraw/zinc/15/27/75/432152775.db2.gz KNSKYEAOPOHIMA-GDBMZVCRSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130869 432152778 /nfs/dbraw/zinc/15/27/78/432152778.db2.gz KNSKYEAOPOHIMA-GDBMZVCRSA-N 2 1 310.388 3.204 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000182246972 432169340 /nfs/dbraw/zinc/16/93/40/432169340.db2.gz VTUYQNAWBBCKMY-MAUKXSAKSA-N 2 1 314.429 3.087 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000182246972 432169343 /nfs/dbraw/zinc/16/93/43/432169343.db2.gz VTUYQNAWBBCKMY-MAUKXSAKSA-N 2 1 314.429 3.087 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000182246972 432169345 /nfs/dbraw/zinc/16/93/45/432169345.db2.gz VTUYQNAWBBCKMY-MAUKXSAKSA-N 2 1 314.429 3.087 20 0 DGADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182235670 432170550 /nfs/dbraw/zinc/17/05/50/432170550.db2.gz HTBNFKIQSHPRTH-GPMSIDNRSA-N 2 1 304.478 3.168 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000246912481 432179207 /nfs/dbraw/zinc/17/92/07/432179207.db2.gz FTAZCUUMIOHEPO-YQVWRLOYSA-N 3 1 309.542 3.063 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000246912481 432179210 /nfs/dbraw/zinc/17/92/10/432179210.db2.gz FTAZCUUMIOHEPO-YQVWRLOYSA-N 2 1 309.542 3.063 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000182262602 432174579 /nfs/dbraw/zinc/17/45/79/432174579.db2.gz GOQROCGQOQONPB-KSSFIOAISA-N 2 1 316.470 3.166 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000190753983 432187300 /nfs/dbraw/zinc/18/73/00/432187300.db2.gz LCUNLGPGIRCIPC-KRWDZBQOSA-N 2 1 300.446 3.049 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000247004207 432190892 /nfs/dbraw/zinc/19/08/92/432190892.db2.gz LVBKPURIHKLQEJ-HZPDHXFCSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000247074481 432199906 /nfs/dbraw/zinc/19/99/06/432199906.db2.gz OMIVQAHGDKSHLQ-WBVHZDCISA-N 2 1 304.482 3.042 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000172038875 432192730 /nfs/dbraw/zinc/19/27/30/432192730.db2.gz DZSSRTOKEIIOCF-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000247039447 432195855 /nfs/dbraw/zinc/19/58/55/432195855.db2.gz MQFAPPXLHQTJPF-UYAOXDASSA-N 2 1 318.505 3.346 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000247104733 432201776 /nfs/dbraw/zinc/20/17/76/432201776.db2.gz QFMYGKGJJYMMEU-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000182547951 432203615 /nfs/dbraw/zinc/20/36/15/432203615.db2.gz CBHIMZLSCWBPRJ-HOTGVXAUSA-N 2 1 312.498 3.208 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000247186589 432208625 /nfs/dbraw/zinc/20/86/25/432208625.db2.gz VNUNVFATTSYQNU-CABCVRRESA-N 2 1 306.450 3.005 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000247175568 432208973 /nfs/dbraw/zinc/20/89/73/432208973.db2.gz STSYMLNCZJZZSX-GARXJVFOSA-N 2 1 308.441 3.301 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000131392083 196164087 /nfs/dbraw/zinc/16/40/87/196164087.db2.gz BMGZMYDQDUPEGN-HNNXBMFYSA-N 2 1 319.449 3.026 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247144114 432205728 /nfs/dbraw/zinc/20/57/28/432205728.db2.gz RBIUPZIMIQDWFQ-ZQIUZPCESA-N 2 1 310.869 3.427 20 0 DGADMP OCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000182744328 432224721 /nfs/dbraw/zinc/22/47/21/432224721.db2.gz UPHTVRNZCMJRCH-HXUWFJFHSA-N 2 1 316.489 3.267 20 0 DGADMP OCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000182744328 432224722 /nfs/dbraw/zinc/22/47/22/432224722.db2.gz UPHTVRNZCMJRCH-HXUWFJFHSA-N 2 1 316.489 3.267 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000151131476 432220950 /nfs/dbraw/zinc/22/09/50/432220950.db2.gz ODBSXLFJRLKMOB-MAUKXSAKSA-N 2 1 304.503 3.339 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000151133300 432220965 /nfs/dbraw/zinc/22/09/65/432220965.db2.gz VJKAWBNHAGRGBT-DNVCBOLYSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000247314262 432221580 /nfs/dbraw/zinc/22/15/80/432221580.db2.gz RMIKENKPOAMURY-CVEARBPZSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000247314262 432221585 /nfs/dbraw/zinc/22/15/85/432221585.db2.gz RMIKENKPOAMURY-CVEARBPZSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000247314262 432221589 /nfs/dbraw/zinc/22/15/89/432221589.db2.gz RMIKENKPOAMURY-CVEARBPZSA-N 2 1 313.445 3.492 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318652 432221886 /nfs/dbraw/zinc/22/18/86/432221886.db2.gz SDYSKRINWQVPHS-SJORKVTESA-N 2 1 316.445 3.079 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318652 432221890 /nfs/dbraw/zinc/22/18/90/432221890.db2.gz SDYSKRINWQVPHS-SJORKVTESA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318652 432221892 /nfs/dbraw/zinc/22/18/92/432221892.db2.gz SDYSKRINWQVPHS-SJORKVTESA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318652 432221897 /nfs/dbraw/zinc/22/18/97/432221897.db2.gz SDYSKRINWQVPHS-SJORKVTESA-N 2 1 316.445 3.079 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000132998017 196303553 /nfs/dbraw/zinc/30/35/53/196303553.db2.gz XHTALXINGWKZIJ-UONOGXRCSA-N 2 1 324.415 3.116 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000151195410 196646604 /nfs/dbraw/zinc/64/66/04/196646604.db2.gz OFNGPWWUTIJMOV-WMLDXEAASA-N 2 1 301.434 3.238 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916872 287345260 /nfs/dbraw/zinc/34/52/60/287345260.db2.gz NLUDNGRXDQKIIX-BRSBDYLESA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916872 287345261 /nfs/dbraw/zinc/34/52/61/287345261.db2.gz NLUDNGRXDQKIIX-BRSBDYLESA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422881740 287347710 /nfs/dbraw/zinc/34/77/10/287347710.db2.gz OGWOAJKTHLHZJO-MKXGPGLRSA-N 3 1 307.526 3.009 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000295872293 225332209 /nfs/dbraw/zinc/33/22/09/225332209.db2.gz GJOQRDQFEBFOKM-IYHXRUFHSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000165111789 228265219 /nfs/dbraw/zinc/26/52/19/228265219.db2.gz SABZUAPEAQTDPB-KURKYZTESA-N 2 1 323.525 3.055 20 0 DGADMP Cc1ccc([C@H](CNc2cc[nH+]c(C)c2)[NH+]2CCOCC2)cc1 ZINC000302579392 230306691 /nfs/dbraw/zinc/30/66/91/230306691.db2.gz SACIOEMGEYBERA-IBGZPJMESA-N 2 1 311.429 3.184 20 0 DGADMP C[N@H+](CC[NH2+]CCCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000193291612 263790919 /nfs/dbraw/zinc/79/09/19/263790919.db2.gz UTOKUTCSNLVCJH-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP C[N@@H+](CC[NH2+]CCCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000193291612 263790921 /nfs/dbraw/zinc/79/09/21/263790921.db2.gz UTOKUTCSNLVCJH-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193989944 263804747 /nfs/dbraw/zinc/80/47/47/263804747.db2.gz RRNIJYCHWAGKOA-YLFCFFPRSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193989944 263804749 /nfs/dbraw/zinc/80/47/49/263804749.db2.gz RRNIJYCHWAGKOA-YLFCFFPRSA-N 2 1 306.494 3.044 20 0 DGADMP CC[N@H+]1CC[C@H](CN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462163 264036348 /nfs/dbraw/zinc/03/63/48/264036348.db2.gz OBDPAQYVKWCIHC-DNVCBOLYSA-N 2 1 313.420 3.242 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCCO2)CC1)CC1CC1 ZINC000346507715 264044526 /nfs/dbraw/zinc/04/45/26/264044526.db2.gz UQPKKDVDYPETRW-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP COC(C)(C)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346567007 264056486 /nfs/dbraw/zinc/05/64/86/264056486.db2.gz OFIHLSDZJTZTMC-UHFFFAOYSA-N 2 1 305.466 3.045 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCO1 ZINC000346571376 264056878 /nfs/dbraw/zinc/05/68/78/264056878.db2.gz YSGJCQYAQGUOOP-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCO1 ZINC000346571376 264056879 /nfs/dbraw/zinc/05/68/79/264056879.db2.gz YSGJCQYAQGUOOP-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000346636914 264070772 /nfs/dbraw/zinc/07/07/72/264070772.db2.gz IEQGMHUGHNEBNH-WBVHZDCISA-N 2 1 320.440 3.195 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656701 264074826 /nfs/dbraw/zinc/07/48/26/264074826.db2.gz GXECVTWNSULRNB-MWLCHTKSSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656701 264074827 /nfs/dbraw/zinc/07/48/27/264074827.db2.gz GXECVTWNSULRNB-MWLCHTKSSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000346668280 264076828 /nfs/dbraw/zinc/07/68/28/264076828.db2.gz IFKVEBBWATYPDX-SJLPKXTDSA-N 2 1 310.441 3.435 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OC(C)C ZINC000346678548 264078389 /nfs/dbraw/zinc/07/83/89/264078389.db2.gz LSJBVISDPNNFRN-INIZCTEOSA-N 2 1 308.466 3.288 20 0 DGADMP COc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1OC(F)F ZINC000346679481 264078818 /nfs/dbraw/zinc/07/88/18/264078818.db2.gz NCSALGJDTPGDMK-CYBMUJFWSA-N 2 1 316.392 3.102 20 0 DGADMP COc1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1OC(F)F ZINC000346679481 264078823 /nfs/dbraw/zinc/07/88/23/264078823.db2.gz NCSALGJDTPGDMK-CYBMUJFWSA-N 2 1 316.392 3.102 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346687513 264079329 /nfs/dbraw/zinc/07/93/29/264079329.db2.gz WKAOMJTYMAGOOU-LJQANCHMSA-N 2 1 314.477 3.294 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346687513 264079330 /nfs/dbraw/zinc/07/93/30/264079330.db2.gz WKAOMJTYMAGOOU-LJQANCHMSA-N 2 1 314.477 3.294 20 0 DGADMP COc1cc(Cl)c(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC000346687618 264079583 /nfs/dbraw/zinc/07/95/83/264079583.db2.gz LXALUCRMBPEFNS-UHFFFAOYSA-N 2 1 303.233 3.173 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000346693347 264081521 /nfs/dbraw/zinc/08/15/21/264081521.db2.gz MKVZCJVCQLWSCN-ZDUSSCGKSA-N 2 1 304.356 3.232 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000346693347 264081523 /nfs/dbraw/zinc/08/15/23/264081523.db2.gz MKVZCJVCQLWSCN-ZDUSSCGKSA-N 2 1 304.356 3.232 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)s2)cc1 ZINC000346840132 264107687 /nfs/dbraw/zinc/10/76/87/264107687.db2.gz ZLZVGEYGZKZQSV-USXIJHARSA-N 2 1 313.470 3.288 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346848901 264108381 /nfs/dbraw/zinc/10/83/81/264108381.db2.gz OSLBUVVBCKLBSE-ULQDDVLXSA-N 2 1 318.461 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346848898 264108418 /nfs/dbraw/zinc/10/84/18/264108418.db2.gz OSLBUVVBCKLBSE-BBWFWOEESA-N 2 1 318.461 3.043 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCCC(C)C ZINC000346995505 264136397 /nfs/dbraw/zinc/13/63/97/264136397.db2.gz BJUBMILQNDNCLX-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCCC(C)C ZINC000346995505 264136399 /nfs/dbraw/zinc/13/63/99/264136399.db2.gz BJUBMILQNDNCLX-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347006813 264138702 /nfs/dbraw/zinc/13/87/02/264138702.db2.gz CRGLGFULPSCMAK-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347006813 264138705 /nfs/dbraw/zinc/13/87/05/264138705.db2.gz CRGLGFULPSCMAK-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc(Br)c1 ZINC000347014347 264140440 /nfs/dbraw/zinc/14/04/40/264140440.db2.gz WZEWGYVMTKQFDF-TYNCELHUSA-N 2 1 311.267 3.222 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc(Br)c1 ZINC000347014347 264140441 /nfs/dbraw/zinc/14/04/41/264140441.db2.gz WZEWGYVMTKQFDF-TYNCELHUSA-N 2 1 311.267 3.222 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075685 264153079 /nfs/dbraw/zinc/15/30/79/264153079.db2.gz UNIYIJOMBYKWMM-KRWDZBQOSA-N 2 1 320.440 3.067 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347097259 264155809 /nfs/dbraw/zinc/15/58/09/264155809.db2.gz JEOKPBXDNPNGJP-GJZGRUSLSA-N 2 1 307.457 3.089 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347097259 264155812 /nfs/dbraw/zinc/15/58/12/264155812.db2.gz JEOKPBXDNPNGJP-GJZGRUSLSA-N 2 1 307.457 3.089 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347165377 264167888 /nfs/dbraw/zinc/16/78/88/264167888.db2.gz JXSHWCLRKQDRTM-SFHVURJKSA-N 2 1 310.445 3.041 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347194483 264174066 /nfs/dbraw/zinc/17/40/66/264174066.db2.gz GYQAKTZAFDWJPV-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347207362 264175588 /nfs/dbraw/zinc/17/55/88/264175588.db2.gz MYMAYTOWRDETBL-GXTWGEPZSA-N 2 1 318.852 3.289 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347211627 264176750 /nfs/dbraw/zinc/17/67/50/264176750.db2.gz OXVHVLCIVNTPTL-JSGCOSHPSA-N 2 1 318.852 3.289 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347228038 264179097 /nfs/dbraw/zinc/17/90/97/264179097.db2.gz WZSBKYDSYVIONV-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP OCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000347437642 264221723 /nfs/dbraw/zinc/22/17/23/264221723.db2.gz UQBRABMEMGEWML-KRWDZBQOSA-N 2 1 310.869 3.229 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000347914297 264304781 /nfs/dbraw/zinc/30/47/81/264304781.db2.gz BIYCOVNJMUHJPN-QGZVFWFLSA-N 2 1 304.478 3.291 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000347996962 264320374 /nfs/dbraw/zinc/32/03/74/264320374.db2.gz CDQKJOOCRXWDKI-YOEHRIQHSA-N 2 1 310.445 3.068 20 0 DGADMP C[C@H]([NH2+]CCc1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348089673 264337481 /nfs/dbraw/zinc/33/74/81/264337481.db2.gz VZARWEOCPXRBEZ-DOTOQJQBSA-N 2 1 315.486 3.186 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000348184080 264359214 /nfs/dbraw/zinc/35/92/14/264359214.db2.gz FMCGYOSIBXYKAS-WMLDXEAASA-N 2 1 321.428 3.043 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348239593 264371304 /nfs/dbraw/zinc/37/13/04/264371304.db2.gz GYOHLWLTVWQJQL-UYAOXDASSA-N 2 1 316.489 3.269 20 0 DGADMP CCCc1csc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349132568 264491926 /nfs/dbraw/zinc/49/19/26/264491926.db2.gz RXAKBVYIXFSUMI-HNNXBMFYSA-N 2 1 307.507 3.259 20 0 DGADMP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(C)c1 ZINC000352476420 265062482 /nfs/dbraw/zinc/06/24/82/265062482.db2.gz IBAYOFQEIJWVBZ-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(C)c1 ZINC000352476420 265062484 /nfs/dbraw/zinc/06/24/84/265062484.db2.gz IBAYOFQEIJWVBZ-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000352487312 265066424 /nfs/dbraw/zinc/06/64/24/265066424.db2.gz CPOCHRUXKBVDIG-CQSZACIVSA-N 2 1 316.367 3.331 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000352534026 265081354 /nfs/dbraw/zinc/08/13/54/265081354.db2.gz CJHNGZLHRWZREM-DNVCBOLYSA-N 2 1 320.452 3.088 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC000352544784 265084322 /nfs/dbraw/zinc/08/43/22/265084322.db2.gz CWVJZALPWSYCPB-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000352554898 265087311 /nfs/dbraw/zinc/08/73/11/265087311.db2.gz IIURUSYDNGBTBL-HLLBOEOZSA-N 2 1 323.456 3.151 20 0 DGADMP CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000352732261 265145181 /nfs/dbraw/zinc/14/51/81/265145181.db2.gz NWSCHOUBGLUPFZ-RDJZCZTQSA-N 2 1 301.478 3.387 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000352854644 265200423 /nfs/dbraw/zinc/20/04/23/265200423.db2.gz RBWKMXLJNWLXAE-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(c3cccc(F)c3)C2)s1 ZINC000352869810 265207963 /nfs/dbraw/zinc/20/79/63/265207963.db2.gz YZULAKNLTGYOEU-UHFFFAOYSA-N 2 1 319.449 3.380 20 0 DGADMP Cc1csc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)n1 ZINC000352997061 265259803 /nfs/dbraw/zinc/25/98/03/265259803.db2.gz JXPPILCHMVOYCK-HNNXBMFYSA-N 2 1 304.463 3.478 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000353336392 265393701 /nfs/dbraw/zinc/39/37/01/265393701.db2.gz XZSUNRHTMPXNJP-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000353336390 265393795 /nfs/dbraw/zinc/39/37/95/265393795.db2.gz XZSUNRHTMPXNJP-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)CC[N@H+]1C ZINC000182805376 432230875 /nfs/dbraw/zinc/23/08/75/432230875.db2.gz QUUWPIDXDLFDLA-QAPCUYQASA-N 2 1 319.518 3.130 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000355415775 266067825 /nfs/dbraw/zinc/06/78/25/266067825.db2.gz VWMNZUUQHZCSLF-IYBDPMFKSA-N 2 1 317.477 3.340 20 0 DGADMP COC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000182825689 432232926 /nfs/dbraw/zinc/23/29/26/432232926.db2.gz TZLQFRSNVGHCFQ-PXAZEXFGSA-N 2 1 323.387 3.083 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191267059 432242288 /nfs/dbraw/zinc/24/22/88/432242288.db2.gz YORFGLNXUQAJLK-UHFFFAOYSA-N 2 1 315.255 3.206 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1csc(Cl)c1 ZINC000191269064 432242839 /nfs/dbraw/zinc/24/28/39/432242839.db2.gz UHBCXJPTNSHJPH-ZDUSSCGKSA-N 2 1 315.914 3.080 20 0 DGADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)n1 ZINC000359867944 271002501 /nfs/dbraw/zinc/00/25/01/271002501.db2.gz HDEZAAXMZGHOME-HNNXBMFYSA-N 2 1 314.433 3.080 20 0 DGADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)n1 ZINC000359867944 271002502 /nfs/dbraw/zinc/00/25/02/271002502.db2.gz HDEZAAXMZGHOME-HNNXBMFYSA-N 2 1 314.433 3.080 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000368022445 271116722 /nfs/dbraw/zinc/11/67/22/271116722.db2.gz OHGRNHDKIQYQIS-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000368525660 271165481 /nfs/dbraw/zinc/16/54/81/271165481.db2.gz FZOALMXRQWKVFS-KSZLIROESA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000369649096 271305278 /nfs/dbraw/zinc/30/52/78/271305278.db2.gz POGLWNWLSQCUCQ-FTEYMNFISA-N 2 1 315.505 3.221 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000370094122 271340298 /nfs/dbraw/zinc/34/02/98/271340298.db2.gz WTWWYNLDOQXVPW-ZJPYXAASSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000370652132 271379357 /nfs/dbraw/zinc/37/93/57/271379357.db2.gz MRKMIQRAWHTUEX-INMHGKMJSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000270493816 432251508 /nfs/dbraw/zinc/25/15/08/432251508.db2.gz MRJFYQRTCKDEIA-QGZVFWFLSA-N 2 1 324.468 3.494 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000247932051 432254615 /nfs/dbraw/zinc/25/46/15/432254615.db2.gz CCJBBPUJZAWIOI-ZOBUZTSGSA-N 2 1 308.491 3.146 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000247932051 432254620 /nfs/dbraw/zinc/25/46/20/432254620.db2.gz CCJBBPUJZAWIOI-ZOBUZTSGSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000247943331 432254109 /nfs/dbraw/zinc/25/41/09/432254109.db2.gz DEJOXYCBAZYJQV-KONPQCLYSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000247943331 432254114 /nfs/dbraw/zinc/25/41/14/432254114.db2.gz DEJOXYCBAZYJQV-KONPQCLYSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000247943331 432254117 /nfs/dbraw/zinc/25/41/17/432254117.db2.gz DEJOXYCBAZYJQV-KONPQCLYSA-N 2 1 321.534 3.203 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415119017 273571774 /nfs/dbraw/zinc/57/17/74/273571774.db2.gz KJAJVTRYBKAJOZ-IBGZPJMESA-N 2 1 312.461 3.085 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273418030 274025530 /nfs/dbraw/zinc/02/55/30/274025530.db2.gz RIFBBDYVDMAJPG-GOSISDBHSA-N 2 1 322.880 3.418 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccccc32)CCCO1 ZINC000278480204 274347575 /nfs/dbraw/zinc/34/75/75/274347575.db2.gz KMNAEBYPSSGHAG-WBVHZDCISA-N 2 1 320.502 3.314 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442838568 274485108 /nfs/dbraw/zinc/48/51/08/274485108.db2.gz ACIONZXEVLNMOU-HZPDHXFCSA-N 2 1 311.473 3.489 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247980636 432259342 /nfs/dbraw/zinc/25/93/42/432259342.db2.gz MLPYVDVWEPNRTB-LMMKCTJWSA-N 2 1 304.478 3.474 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000134027589 274859728 /nfs/dbraw/zinc/85/97/28/274859728.db2.gz JTHXVYDJDGZFPH-LSDHHAIUSA-N 2 1 309.417 3.117 20 0 DGADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423361227 274908069 /nfs/dbraw/zinc/90/80/69/274908069.db2.gz MHELYOCYELHAIW-TZMCWYRMSA-N 2 1 313.367 3.210 20 0 DGADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414785363 275369043 /nfs/dbraw/zinc/36/90/43/275369043.db2.gz SNHXIJYPTXDUTR-HUUCEWRRSA-N 2 1 323.278 3.271 20 0 DGADMP CC(C)OC(=O)C[C@@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110265 275968199 /nfs/dbraw/zinc/96/81/99/275968199.db2.gz SIAQGHRCNBJCJF-BPQIPLTHSA-N 2 1 318.461 3.190 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000040226776 277031200 /nfs/dbraw/zinc/03/12/00/277031200.db2.gz PRGDFQWMDQTVGV-OAHLLOKOSA-N 2 1 309.251 3.120 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556236 277046032 /nfs/dbraw/zinc/04/60/32/277046032.db2.gz SKFICVDWKRXRJV-ROUUACIJSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556236 277046035 /nfs/dbraw/zinc/04/60/35/277046035.db2.gz SKFICVDWKRXRJV-ROUUACIJSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556236 277046038 /nfs/dbraw/zinc/04/60/38/277046038.db2.gz SKFICVDWKRXRJV-ROUUACIJSA-N 2 1 306.494 3.142 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@@H]1c1cccs1 ZINC000248753946 277073693 /nfs/dbraw/zinc/07/36/93/277073693.db2.gz CJIGBALNAYORHC-BFYDXBDKSA-N 2 1 306.475 3.413 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@@H]1c1cccs1 ZINC000248753946 277073694 /nfs/dbraw/zinc/07/36/94/277073694.db2.gz CJIGBALNAYORHC-BFYDXBDKSA-N 2 1 306.475 3.413 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@H]1c1cccs1 ZINC000340262678 277073884 /nfs/dbraw/zinc/07/38/84/277073884.db2.gz ZTFHCPYEVXUPJK-KBMXLJTQSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@H]1c1cccs1 ZINC000340262678 277073885 /nfs/dbraw/zinc/07/38/85/277073885.db2.gz ZTFHCPYEVXUPJK-KBMXLJTQSA-N 2 1 308.491 3.288 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265806 277082766 /nfs/dbraw/zinc/08/27/66/277082766.db2.gz RJRMJHJNXZDRRB-ACJLOTCBSA-N 2 1 303.450 3.203 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000482719201 277365632 /nfs/dbraw/zinc/36/56/32/277365632.db2.gz ZOZJJDQYUFGZCF-QRVBRYPASA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000482719201 277365634 /nfs/dbraw/zinc/36/56/34/277365634.db2.gz ZOZJJDQYUFGZCF-QRVBRYPASA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000482719201 277365635 /nfs/dbraw/zinc/36/56/35/277365635.db2.gz ZOZJJDQYUFGZCF-QRVBRYPASA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000245942030 277397200 /nfs/dbraw/zinc/39/72/00/277397200.db2.gz JXPLZOIJOZLPJY-HZPDHXFCSA-N 2 1 312.498 3.064 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC000277161781 278034297 /nfs/dbraw/zinc/03/42/97/278034297.db2.gz FYAAPXNOIPJTTI-OOKSDGMUSA-N 2 1 314.473 3.157 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC000277161781 278034298 /nfs/dbraw/zinc/03/42/98/278034298.db2.gz FYAAPXNOIPJTTI-OOKSDGMUSA-N 2 1 314.473 3.157 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422842092 278218286 /nfs/dbraw/zinc/21/82/86/278218286.db2.gz XOKHKCXKPVDYHF-SJLPKXTDSA-N 3 1 307.526 3.294 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271875188 278334998 /nfs/dbraw/zinc/33/49/98/278334998.db2.gz RLLXVOBHZZVMQK-SECBINFHSA-N 2 1 302.249 3.320 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CC[NH2+]1 ZINC000423367358 278995751 /nfs/dbraw/zinc/99/57/51/278995751.db2.gz AGFYPBDFEMNECQ-FXPVBKGRSA-N 2 1 315.280 3.228 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000157528471 288105418 /nfs/dbraw/zinc/10/54/18/288105418.db2.gz XJZYNRBNBDUUOR-GPMSIDNRSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528471 288105420 /nfs/dbraw/zinc/10/54/20/288105420.db2.gz XJZYNRBNBDUUOR-GPMSIDNRSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528471 288105421 /nfs/dbraw/zinc/10/54/21/288105421.db2.gz XJZYNRBNBDUUOR-GPMSIDNRSA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414831610 279142325 /nfs/dbraw/zinc/14/23/25/279142325.db2.gz CTCDMYBRLVIZAF-IUODEOHRSA-N 2 1 313.283 3.343 20 0 DGADMP Clc1ccc([C@H]2OCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297587946 279292348 /nfs/dbraw/zinc/29/23/48/279292348.db2.gz IYCQYTLSBHFVFW-QZTJIDSGSA-N 2 1 320.864 3.386 20 0 DGADMP C[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414744499 279320828 /nfs/dbraw/zinc/32/08/28/279320828.db2.gz WLJARHQHECLHEU-IUODEOHRSA-N 2 1 300.368 3.480 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000072860003 431357428 /nfs/dbraw/zinc/35/74/28/431357428.db2.gz NFBKCSWDHKMZPR-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000072860003 431357435 /nfs/dbraw/zinc/35/74/35/431357435.db2.gz NFBKCSWDHKMZPR-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000072860003 431357445 /nfs/dbraw/zinc/35/74/45/431357445.db2.gz NFBKCSWDHKMZPR-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000072860003 431357450 /nfs/dbraw/zinc/35/74/50/431357450.db2.gz NFBKCSWDHKMZPR-QGZVFWFLSA-N 2 1 312.457 3.492 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000114475607 431391378 /nfs/dbraw/zinc/39/13/78/431391378.db2.gz ZWIXUHQOPSXWPC-FQEVSTJZSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000076004883 431515903 /nfs/dbraw/zinc/51/59/03/431515903.db2.gz IYIJUUSCDJLGRY-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000076004883 431515910 /nfs/dbraw/zinc/51/59/10/431515910.db2.gz IYIJUUSCDJLGRY-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396197 431507264 /nfs/dbraw/zinc/50/72/64/431507264.db2.gz NATGIAJSZLNQRC-RDJZCZTQSA-N 2 1 319.493 3.278 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000119122358 431650256 /nfs/dbraw/zinc/65/02/56/431650256.db2.gz WVAZNFJJWQEZRB-LSTHTHJFSA-N 2 1 316.489 3.401 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183367 431749388 /nfs/dbraw/zinc/74/93/88/431749388.db2.gz HYOXQDVLBRLHCR-LSDHHAIUSA-N 2 1 322.449 3.099 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000121481225 431791799 /nfs/dbraw/zinc/79/17/99/431791799.db2.gz BBQNWCYBSYTRPZ-INIZCTEOSA-N 2 1 312.461 3.086 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630551 431795451 /nfs/dbraw/zinc/79/54/51/431795451.db2.gz FDFVSKZULGYHGU-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630551 431795457 /nfs/dbraw/zinc/79/54/57/431795457.db2.gz FDFVSKZULGYHGU-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630551 431795464 /nfs/dbraw/zinc/79/54/64/431795464.db2.gz FDFVSKZULGYHGU-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081630551 431795474 /nfs/dbraw/zinc/79/54/74/431795474.db2.gz FDFVSKZULGYHGU-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP Brc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037408368 431846637 /nfs/dbraw/zinc/84/66/37/431846637.db2.gz CWEUDZPNKANAPH-JTQLQIEISA-N 2 1 315.280 3.085 20 0 DGADMP Brc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037408368 431846638 /nfs/dbraw/zinc/84/66/38/431846638.db2.gz CWEUDZPNKANAPH-JTQLQIEISA-N 2 1 315.280 3.085 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000037644294 431848839 /nfs/dbraw/zinc/84/88/39/431848839.db2.gz QYYQFDHJMMGCIN-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000037644294 431848841 /nfs/dbraw/zinc/84/88/41/431848841.db2.gz QYYQFDHJMMGCIN-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP CC1(C)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000123003086 431851459 /nfs/dbraw/zinc/85/14/59/431851459.db2.gz RIOMRWZXTDSPGQ-OALUTQOASA-N 2 1 316.489 3.005 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089145422 431860407 /nfs/dbraw/zinc/86/04/07/431860407.db2.gz LPVOYILAYGYKCQ-YGRLFVJLSA-N 2 1 315.230 3.195 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000089513124 431868738 /nfs/dbraw/zinc/86/87/38/431868738.db2.gz VEHMAERIEIANGL-RCDICMHDSA-N 2 1 322.518 3.338 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543572 431870824 /nfs/dbraw/zinc/87/08/24/431870824.db2.gz KRQQTRYPCKBOSC-WWGRRREGSA-N 2 1 312.404 3.149 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000122207793 431821187 /nfs/dbraw/zinc/82/11/87/431821187.db2.gz MSXWLUGYSOTZDF-QGZVFWFLSA-N 2 1 319.493 3.213 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000122207581 431821275 /nfs/dbraw/zinc/82/12/75/431821275.db2.gz MSXWLUGYSOTZDF-KRWDZBQOSA-N 2 1 319.493 3.213 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CC=CCC3)CC2)C[C@H](C)O1 ZINC000092587073 431910503 /nfs/dbraw/zinc/91/05/03/431910503.db2.gz NMBYDVIHBQDAFU-KSZLIROESA-N 2 1 306.494 3.164 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000125049020 431912781 /nfs/dbraw/zinc/91/27/81/431912781.db2.gz JVMHJVIWKJJNQP-FUHIMQAGSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564011 431916404 /nfs/dbraw/zinc/91/64/04/431916404.db2.gz OSOKMRRAKCGZKO-INIZCTEOSA-N 2 1 304.482 3.158 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564011 431916405 /nfs/dbraw/zinc/91/64/05/431916405.db2.gz OSOKMRRAKCGZKO-INIZCTEOSA-N 2 1 304.482 3.158 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123774023 431874321 /nfs/dbraw/zinc/87/43/21/431874321.db2.gz ARXYPWZZBUGCIM-OALUTQOASA-N 2 1 302.462 3.198 20 0 DGADMP Cc1ccc(OC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000124096091 431882561 /nfs/dbraw/zinc/88/25/61/431882561.db2.gz GASMPBRBAWIRHB-QGZVFWFLSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@H]3CCC[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000124287230 431888802 /nfs/dbraw/zinc/88/88/02/431888802.db2.gz CLVXBWAEEJVOGI-PBHICJAKSA-N 2 1 316.493 3.478 20 0 DGADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCCn1ccnc1 ZINC000124286557 431889160 /nfs/dbraw/zinc/88/91/60/431889160.db2.gz XACWZJBFGVBUGK-LBPRGKRZSA-N 2 1 317.418 3.078 20 0 DGADMP C[C@@H](c1nc(-c2cccs2)no1)N(C)CCCn1ccnc1 ZINC000124286557 431889161 /nfs/dbraw/zinc/88/91/61/431889161.db2.gz XACWZJBFGVBUGK-LBPRGKRZSA-N 2 1 317.418 3.078 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1C ZINC000090218855 431889781 /nfs/dbraw/zinc/88/97/81/431889781.db2.gz GWIYKNGTMMHJPG-RCCFBDPRSA-N 2 1 304.478 3.472 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000124366139 431891680 /nfs/dbraw/zinc/89/16/80/431891680.db2.gz GSIXWQOGNYSROK-IBGZPJMESA-N 2 1 303.494 3.001 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000090909532 431897847 /nfs/dbraw/zinc/89/78/47/431897847.db2.gz DSJOEAYCSSEYEZ-FCEWJHQRSA-N 2 1 304.478 3.194 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000125473897 431926788 /nfs/dbraw/zinc/92/67/88/431926788.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 3 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125473897 431926790 /nfs/dbraw/zinc/92/67/90/431926790.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 3 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125473897 431926792 /nfs/dbraw/zinc/92/67/92/431926792.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 3 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000125473897 431926793 /nfs/dbraw/zinc/92/67/93/431926793.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000125473897 431926794 /nfs/dbraw/zinc/92/67/94/431926794.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125473897 431926796 /nfs/dbraw/zinc/92/67/96/431926796.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125473897 431926797 /nfs/dbraw/zinc/92/67/97/431926797.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 2 1 321.553 3.447 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000125483209 431926916 /nfs/dbraw/zinc/92/69/16/431926916.db2.gz LRJZSVRXZKCVDB-AWEZNQCLSA-N 2 1 312.404 3.288 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000125483209 431926918 /nfs/dbraw/zinc/92/69/18/431926918.db2.gz LRJZSVRXZKCVDB-AWEZNQCLSA-N 2 1 312.404 3.288 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000049330250 431938542 /nfs/dbraw/zinc/93/85/42/431938542.db2.gz FEERHLPOMNHFAH-NSHDSACASA-N 2 1 308.223 3.305 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829331 431959136 /nfs/dbraw/zinc/95/91/36/431959136.db2.gz NYBXYCLNLIINHJ-GJZGRUSLSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829331 431959139 /nfs/dbraw/zinc/95/91/39/431959139.db2.gz NYBXYCLNLIINHJ-GJZGRUSLSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829961 431959152 /nfs/dbraw/zinc/95/91/52/431959152.db2.gz NYBXYCLNLIINHJ-HUUCEWRRSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829961 431959155 /nfs/dbraw/zinc/95/91/55/431959155.db2.gz NYBXYCLNLIINHJ-HUUCEWRRSA-N 2 1 318.490 3.044 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423126809 281123555 /nfs/dbraw/zinc/12/35/55/281123555.db2.gz JCMJNRXKDJKBLR-AFYVEPGGSA-N 2 1 314.473 3.119 20 0 DGADMP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000128098499 431987303 /nfs/dbraw/zinc/98/73/03/431987303.db2.gz RLFHQHWPMZFHIT-HNNXBMFYSA-N 2 1 313.445 3.330 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000128098499 431987304 /nfs/dbraw/zinc/98/73/04/431987304.db2.gz RLFHQHWPMZFHIT-HNNXBMFYSA-N 2 1 313.445 3.330 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000128262005 431990348 /nfs/dbraw/zinc/99/03/48/431990348.db2.gz BSLAXLZMECHOMG-LJQANCHMSA-N 2 1 303.494 3.063 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102420098 431993468 /nfs/dbraw/zinc/99/34/68/431993468.db2.gz SSXVUDKWYLZNRV-MRXNPFEDSA-N 2 1 300.446 3.317 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102420098 431993470 /nfs/dbraw/zinc/99/34/70/431993470.db2.gz SSXVUDKWYLZNRV-MRXNPFEDSA-N 2 1 300.446 3.317 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000270679298 432275200 /nfs/dbraw/zinc/27/52/00/432275200.db2.gz ULTJPPJJLDFOOL-UHFFFAOYSA-N 2 1 312.461 3.021 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248409663 432286063 /nfs/dbraw/zinc/28/60/63/432286063.db2.gz XCFYBGMXKJJJOK-VNTMZGSJSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1(C)CC1 ZINC000151902493 432286352 /nfs/dbraw/zinc/28/63/52/432286352.db2.gz RGMMNHCWZLWNJY-IEBWSBKVSA-N 2 1 315.505 3.143 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248408735 432286923 /nfs/dbraw/zinc/28/69/23/432286923.db2.gz VVFAQFFXODMADL-WCIQWLHISA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000151903755 432287203 /nfs/dbraw/zinc/28/72/03/432287203.db2.gz CVEFFIMKZHYCLR-WOJBJXKFSA-N 2 1 315.505 3.143 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000151907983 432289379 /nfs/dbraw/zinc/28/93/79/432289379.db2.gz KIRFUXJFNKALDQ-MRXNPFEDSA-N 2 1 314.477 3.400 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCCC1 ZINC000248458549 432294335 /nfs/dbraw/zinc/29/43/35/432294335.db2.gz UVQQXCTUEDXQSB-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCO2 ZINC000248531948 432297856 /nfs/dbraw/zinc/29/78/56/432297856.db2.gz PVSULJVJGAJVLG-HUUCEWRRSA-N 2 1 304.434 3.330 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCO2 ZINC000248531948 432297860 /nfs/dbraw/zinc/29/78/60/432297860.db2.gz PVSULJVJGAJVLG-HUUCEWRRSA-N 2 1 304.434 3.330 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000191409322 432261797 /nfs/dbraw/zinc/26/17/97/432261797.db2.gz QACHISFHHZCPBC-SFHVURJKSA-N 2 1 303.494 3.096 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000248057301 432266324 /nfs/dbraw/zinc/26/63/24/432266324.db2.gz XOFDSSJGFUSIJA-KJWYOANISA-N 2 1 323.912 3.261 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000270630133 432267989 /nfs/dbraw/zinc/26/79/89/432267989.db2.gz LNPGMMWJAFVVKO-UHFFFAOYSA-N 2 1 312.461 3.314 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000270630133 432267992 /nfs/dbraw/zinc/26/79/92/432267992.db2.gz LNPGMMWJAFVVKO-UHFFFAOYSA-N 2 1 312.461 3.314 20 0 DGADMP CC(C)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248763155 432317666 /nfs/dbraw/zinc/31/76/66/432317666.db2.gz DWUUCYOLNSLOCC-REPLKXPHSA-N 2 1 302.462 3.197 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058118 432328381 /nfs/dbraw/zinc/32/83/81/432328381.db2.gz UUYOBJSIEZBHJE-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058118 432328385 /nfs/dbraw/zinc/32/83/85/432328385.db2.gz UUYOBJSIEZBHJE-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058118 432328388 /nfs/dbraw/zinc/32/83/88/432328388.db2.gz UUYOBJSIEZBHJE-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058118 432328392 /nfs/dbraw/zinc/32/83/92/432328392.db2.gz UUYOBJSIEZBHJE-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058118 432328395 /nfs/dbraw/zinc/32/83/95/432328395.db2.gz UUYOBJSIEZBHJE-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000152389087 432330567 /nfs/dbraw/zinc/33/05/67/432330567.db2.gz UUYUERGZWOGEHZ-CABCVRRESA-N 2 1 318.461 3.147 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)[C@H](C)C1 ZINC000249082103 432337463 /nfs/dbraw/zinc/33/74/63/432337463.db2.gz MSMGOMUERAVXHM-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000183958205 432337932 /nfs/dbraw/zinc/33/79/32/432337932.db2.gz FOPWHLSUJCMUNO-HOTGVXAUSA-N 2 1 302.462 3.189 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000249378286 432345413 /nfs/dbraw/zinc/34/54/13/432345413.db2.gz NGKIKFWGZWKMGY-KGLIPLIRSA-N 2 1 302.418 3.434 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000249378286 432345419 /nfs/dbraw/zinc/34/54/19/432345419.db2.gz NGKIKFWGZWKMGY-KGLIPLIRSA-N 2 1 302.418 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000174452972 432349623 /nfs/dbraw/zinc/34/96/23/432349623.db2.gz DXXIJOKXWOWIIE-UHFFFAOYSA-N 2 1 313.445 3.475 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000271314213 432372769 /nfs/dbraw/zinc/37/27/69/432372769.db2.gz XGNJIYLZIMEYLR-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC000192438961 432373936 /nfs/dbraw/zinc/37/39/36/432373936.db2.gz MEGIDBQPEDJLCI-IAGOWNOFSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000271330829 432375785 /nfs/dbraw/zinc/37/57/85/432375785.db2.gz AXPBBAMJFRBHKO-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000271330829 432375788 /nfs/dbraw/zinc/37/57/88/432375788.db2.gz AXPBBAMJFRBHKO-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346921 432380032 /nfs/dbraw/zinc/38/00/32/432380032.db2.gz XXFGHBXSFQZWCK-GJZGRUSLSA-N 2 1 306.475 3.270 20 0 DGADMP CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346921 432380035 /nfs/dbraw/zinc/38/00/35/432380035.db2.gz XXFGHBXSFQZWCK-GJZGRUSLSA-N 2 1 306.475 3.270 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252788670 432387935 /nfs/dbraw/zinc/38/79/35/432387935.db2.gz PRWJEUUPGKCBJK-CABCVRRESA-N 2 1 323.278 3.474 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000175018863 432390178 /nfs/dbraw/zinc/39/01/78/432390178.db2.gz YPPLYEXFDDKWFV-IBGZPJMESA-N 2 1 320.452 3.292 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350474 432402266 /nfs/dbraw/zinc/40/22/66/432402266.db2.gz BJRDHHGTPIEGKR-IIDMSEBBSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350474 432402271 /nfs/dbraw/zinc/40/22/71/432402271.db2.gz BJRDHHGTPIEGKR-IIDMSEBBSA-N 2 1 317.477 3.221 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261547054 432430383 /nfs/dbraw/zinc/43/03/83/432430383.db2.gz LRTWGEBDRIKMGC-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261547054 432430387 /nfs/dbraw/zinc/43/03/87/432430387.db2.gz LRTWGEBDRIKMGC-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP CCCC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935927 432431028 /nfs/dbraw/zinc/43/10/28/432431028.db2.gz CFSFFKFBOIJGTF-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261564704 432431661 /nfs/dbraw/zinc/43/16/61/432431661.db2.gz HKBQNYJRFUQZJW-BQPHKTIFSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261564704 432431664 /nfs/dbraw/zinc/43/16/64/432431664.db2.gz HKBQNYJRFUQZJW-BQPHKTIFSA-N 2 1 309.251 3.179 20 0 DGADMP Cc1ccc(OC(F)F)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192950824 432433032 /nfs/dbraw/zinc/43/30/32/432433032.db2.gz HMLJRSCOLDRVFG-GOOCMWNKSA-N 2 1 310.388 3.311 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192950824 432433034 /nfs/dbraw/zinc/43/30/34/432433034.db2.gz HMLJRSCOLDRVFG-GOOCMWNKSA-N 2 1 310.388 3.311 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192950824 432433036 /nfs/dbraw/zinc/43/30/36/432433036.db2.gz HMLJRSCOLDRVFG-GOOCMWNKSA-N 2 1 310.388 3.311 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000261642317 432437050 /nfs/dbraw/zinc/43/70/50/432437050.db2.gz AJDPPDCPTIYLOX-KRWDZBQOSA-N 2 1 324.472 3.410 20 0 DGADMP CC[N@H+](Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000261790148 432451454 /nfs/dbraw/zinc/45/14/54/432451454.db2.gz GCZCSJCDPLKORZ-CYBMUJFWSA-N 2 1 307.438 3.399 20 0 DGADMP CC[N@@H+](Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000261790148 432451457 /nfs/dbraw/zinc/45/14/57/432451457.db2.gz GCZCSJCDPLKORZ-CYBMUJFWSA-N 2 1 307.438 3.399 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271525682 432414408 /nfs/dbraw/zinc/41/44/08/432414408.db2.gz QCRKMNZQNYDSOP-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271525682 432414410 /nfs/dbraw/zinc/41/44/10/432414410.db2.gz QCRKMNZQNYDSOP-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271525693 432414521 /nfs/dbraw/zinc/41/45/21/432414521.db2.gz QCRKMNZQNYDSOP-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271525693 432414524 /nfs/dbraw/zinc/41/45/24/432414524.db2.gz QCRKMNZQNYDSOP-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000153499935 432415247 /nfs/dbraw/zinc/41/52/47/432415247.db2.gz RCDVMQCNBGGTBS-BEFAXECRSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000153499935 432415253 /nfs/dbraw/zinc/41/52/53/432415253.db2.gz RCDVMQCNBGGTBS-BEFAXECRSA-N 2 1 302.462 3.186 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1 ZINC000261889408 432458925 /nfs/dbraw/zinc/45/89/25/432458925.db2.gz XFMLOPAIKCAAGQ-CQSZACIVSA-N 2 1 316.449 3.119 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](Nc2ccccc2)C(C)C)[C@H](C)C1 ZINC000154131529 432475131 /nfs/dbraw/zinc/47/51/31/432475131.db2.gz BDYKJALMEVFEIE-NEWSRXKRSA-N 2 1 303.494 3.443 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000262131730 432475787 /nfs/dbraw/zinc/47/57/87/432475787.db2.gz LMRHQGYEGHYKOH-KWCYVHTRSA-N 2 1 314.351 3.144 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000262131730 432475791 /nfs/dbraw/zinc/47/57/91/432475791.db2.gz LMRHQGYEGHYKOH-KWCYVHTRSA-N 2 1 314.351 3.144 20 0 DGADMP C[C@@H]([NH2+]CCCn1ccnc1)c1nc(C2CCCCC2)no1 ZINC000185245912 432482543 /nfs/dbraw/zinc/48/25/43/432482543.db2.gz KVHDBHFNBUBQQQ-CYBMUJFWSA-N 2 1 303.410 3.055 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376119 432491014 /nfs/dbraw/zinc/49/10/14/432491014.db2.gz VNCLVDODHQCIAI-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H](Cn1ccnc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447443 432503510 /nfs/dbraw/zinc/50/35/10/432503510.db2.gz VHFXZNWBCQHFJD-FRYIKTPZSA-N 2 1 324.472 3.057 20 0 DGADMP COCCCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455697 432506491 /nfs/dbraw/zinc/50/64/91/432506491.db2.gz JWSXWXCRGVYSPO-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC000261926907 432461905 /nfs/dbraw/zinc/46/19/05/432461905.db2.gz SIQIXHMNZSBXDK-KYNGSXCRSA-N 2 1 310.441 3.408 20 0 DGADMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227322 432465740 /nfs/dbraw/zinc/46/57/40/432465740.db2.gz QTJYUHBKSOIUFM-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261965540 432466027 /nfs/dbraw/zinc/46/60/27/432466027.db2.gz PWODCANCSCYNPH-IBGZPJMESA-N 2 1 310.445 3.020 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261965540 432466030 /nfs/dbraw/zinc/46/60/30/432466030.db2.gz PWODCANCSCYNPH-IBGZPJMESA-N 2 1 310.445 3.020 20 0 DGADMP CCn1c(C[NH+]2CCC(CC[NH2+]C)CC2)nc2c1cccc2F ZINC000261972345 432466313 /nfs/dbraw/zinc/46/63/13/432466313.db2.gz DSEFSHSXLJLKFP-UHFFFAOYSA-N 2 1 318.440 3.017 20 0 DGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262028097 432470287 /nfs/dbraw/zinc/47/02/87/432470287.db2.gz WWBMCFGTUGZNTF-HZPDHXFCSA-N 2 1 322.880 3.430 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCOCc2ccccc2)CC1 ZINC000273194135 432565195 /nfs/dbraw/zinc/56/51/95/432565195.db2.gz JVMKOBFWAVRWFA-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154709270 432517176 /nfs/dbraw/zinc/51/71/76/432517176.db2.gz LHRSGVQQOAOBGM-UHFFFAOYSA-N 2 1 320.868 3.000 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194118896 432527034 /nfs/dbraw/zinc/52/70/34/432527034.db2.gz RUPBVURTMMHABF-WJFTUGDTSA-N 2 1 320.521 3.292 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194118877 432527200 /nfs/dbraw/zinc/52/72/00/432527200.db2.gz RUPBVURTMMHABF-NCXUSEDFSA-N 2 1 320.521 3.292 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185757624 432530720 /nfs/dbraw/zinc/53/07/20/432530720.db2.gz BJQXNPPVSZWRPN-ALKREAHSSA-N 2 1 320.452 3.102 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000195133181 432607717 /nfs/dbraw/zinc/60/77/17/432607717.db2.gz JTQNKJKKZFYTGY-XLIONFOSSA-N 2 1 324.468 3.352 20 0 DGADMP Cc1nc(CN2CCCN(c3cc[nH+]cc3Cl)CC2)cs1 ZINC000176923338 432566539 /nfs/dbraw/zinc/56/65/39/432566539.db2.gz SIAKEQXGBPDOOQ-UHFFFAOYSA-N 2 1 322.865 3.212 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000263748970 432573056 /nfs/dbraw/zinc/57/30/56/432573056.db2.gz SENGFXITYXMCTF-UHFFFAOYSA-N 2 1 312.461 3.177 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273375547 432591593 /nfs/dbraw/zinc/59/15/93/432591593.db2.gz CMYONWOWPDFFBI-QYZOEREBSA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273375547 432591598 /nfs/dbraw/zinc/59/15/98/432591598.db2.gz CMYONWOWPDFFBI-QYZOEREBSA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273375547 432591601 /nfs/dbraw/zinc/59/16/01/432591601.db2.gz CMYONWOWPDFFBI-QYZOEREBSA-N 2 1 320.452 3.462 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273419970 432597262 /nfs/dbraw/zinc/59/72/62/432597262.db2.gz RPYOMOVHCGGIOW-IHPCNDPISA-N 2 1 316.489 3.446 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC)[C@@H](C)C1 ZINC000157959581 432635303 /nfs/dbraw/zinc/63/53/03/432635303.db2.gz YCUJALOTCKCSJX-FXAWDEMLSA-N 2 1 318.505 3.476 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000158215367 432639655 /nfs/dbraw/zinc/63/96/55/432639655.db2.gz RTKWPEQOLVAQNE-KBPBESRZSA-N 2 1 308.491 3.410 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000274443029 432668711 /nfs/dbraw/zinc/66/87/11/432668711.db2.gz QSQMDICRUZNZDD-QILLFSRXSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000274443029 432668715 /nfs/dbraw/zinc/66/87/15/432668715.db2.gz QSQMDICRUZNZDD-QILLFSRXSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1F ZINC000274443029 432668721 /nfs/dbraw/zinc/66/87/21/432668721.db2.gz QSQMDICRUZNZDD-QILLFSRXSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1F ZINC000274443029 432668726 /nfs/dbraw/zinc/66/87/26/432668726.db2.gz QSQMDICRUZNZDD-QILLFSRXSA-N 2 1 320.452 3.039 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000158683347 432654522 /nfs/dbraw/zinc/65/45/22/432654522.db2.gz WVQWJHZJVHXVTG-ULQDDVLXSA-N 2 1 306.498 3.483 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158890397 432662909 /nfs/dbraw/zinc/66/29/09/432662909.db2.gz QEALGHKUNSOWGW-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158890397 432662914 /nfs/dbraw/zinc/66/29/14/432662914.db2.gz QEALGHKUNSOWGW-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000178119863 432697490 /nfs/dbraw/zinc/69/74/90/432697490.db2.gz YHEOPQPDMXNURN-OWCLPIDISA-N 2 1 312.498 3.207 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000178148869 432700611 /nfs/dbraw/zinc/70/06/11/432700611.db2.gz XIGBHTXPEOYISX-GXTWGEPZSA-N 2 1 316.367 3.200 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274743446 432703881 /nfs/dbraw/zinc/70/38/81/432703881.db2.gz AMJHGJCTUIOIKT-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178234248 432710020 /nfs/dbraw/zinc/71/00/20/432710020.db2.gz KQONPPUXASUEBN-HZPDHXFCSA-N 2 1 310.507 3.365 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178234248 432710024 /nfs/dbraw/zinc/71/00/24/432710024.db2.gz KQONPPUXASUEBN-HZPDHXFCSA-N 2 1 310.507 3.365 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188290326 432715862 /nfs/dbraw/zinc/71/58/62/432715862.db2.gz PMZBYSKBCRVGKK-WIYYLYMNSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290326 432715879 /nfs/dbraw/zinc/71/58/79/432715879.db2.gz PMZBYSKBCRVGKK-WIYYLYMNSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290326 432715882 /nfs/dbraw/zinc/71/58/82/432715882.db2.gz PMZBYSKBCRVGKK-WIYYLYMNSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188290326 432715886 /nfs/dbraw/zinc/71/58/86/432715886.db2.gz PMZBYSKBCRVGKK-WIYYLYMNSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188290326 432715893 /nfs/dbraw/zinc/71/58/93/432715893.db2.gz PMZBYSKBCRVGKK-WIYYLYMNSA-N 2 1 324.468 3.316 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3sccc3Br)C[C@H]21 ZINC000228471997 432719408 /nfs/dbraw/zinc/71/94/08/432719408.db2.gz BDRYDBOAIQJSEN-CKYFFXLPSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3sccc3Br)C[C@H]21 ZINC000228471997 432719412 /nfs/dbraw/zinc/71/94/12/432719412.db2.gz BDRYDBOAIQJSEN-CKYFFXLPSA-N 2 1 315.280 3.070 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937814 432721713 /nfs/dbraw/zinc/72/17/13/432721713.db2.gz SKONAIZZTNIGAP-WMQCIHAUSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937814 432721717 /nfs/dbraw/zinc/72/17/17/432721717.db2.gz SKONAIZZTNIGAP-WMQCIHAUSA-N 2 1 324.468 3.220 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)/C=C/C[NH+](C)C)c2C1 ZINC000265701038 432722441 /nfs/dbraw/zinc/72/24/41/432722441.db2.gz QQZYOIUUSNQSBK-RMKNXTFCSA-N 2 1 315.461 3.105 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3sccc3Br)C[C@@H]21 ZINC000230045774 432724094 /nfs/dbraw/zinc/72/40/94/432724094.db2.gz BDRYDBOAIQJSEN-JBLDHEPKSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3sccc3Br)C[C@@H]21 ZINC000230045774 432724097 /nfs/dbraw/zinc/72/40/97/432724097.db2.gz BDRYDBOAIQJSEN-JBLDHEPKSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]21 ZINC000230048135 432724327 /nfs/dbraw/zinc/72/43/27/432724327.db2.gz RVZFHJTVHQKLOT-BYCMXARLSA-N 2 1 319.499 3.431 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]21 ZINC000230048135 432724332 /nfs/dbraw/zinc/72/43/32/432724332.db2.gz RVZFHJTVHQKLOT-BYCMXARLSA-N 2 1 319.499 3.431 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259109 432724882 /nfs/dbraw/zinc/72/48/82/432724882.db2.gz JMIHKUPMJJIDHA-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259109 432724884 /nfs/dbraw/zinc/72/48/84/432724884.db2.gz JMIHKUPMJJIDHA-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)cc1 ZINC000275259109 432724887 /nfs/dbraw/zinc/72/48/87/432724887.db2.gz JMIHKUPMJJIDHA-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)cc1 ZINC000275259109 432724891 /nfs/dbraw/zinc/72/48/91/432724891.db2.gz JMIHKUPMJJIDHA-SWLSCSKDSA-N 2 1 311.267 3.221 20 0 DGADMP Cc1nccnc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187779435 432685496 /nfs/dbraw/zinc/68/54/96/432685496.db2.gz SCTOOFLMTMORMX-XHSDSOJGSA-N 2 1 304.482 3.194 20 0 DGADMP CC[C@@](C)(O)C[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275876988 432756348 /nfs/dbraw/zinc/75/63/48/432756348.db2.gz OLSCCYUBSVAWMM-LJQANCHMSA-N 2 1 315.461 3.245 20 0 DGADMP CC[C@@](C)(O)C[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275876988 432756351 /nfs/dbraw/zinc/75/63/51/432756351.db2.gz OLSCCYUBSVAWMM-LJQANCHMSA-N 2 1 315.461 3.245 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C/c2ccc(F)cc2)C[C@H](C)O1 ZINC000178742075 432773033 /nfs/dbraw/zinc/77/30/33/432773033.db2.gz CZPBHVZDEHZOND-WZDWLKHJSA-N 2 1 320.452 3.318 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000276147613 432776656 /nfs/dbraw/zinc/77/66/56/432776656.db2.gz OIBXXJCBIYLWBK-INIZCTEOSA-N 2 1 306.475 3.306 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275680904 432739662 /nfs/dbraw/zinc/73/96/62/432739662.db2.gz IENSMRLOAFLEND-AEFFLSMTSA-N 2 1 304.478 3.444 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275680904 432739664 /nfs/dbraw/zinc/73/96/64/432739664.db2.gz IENSMRLOAFLEND-AEFFLSMTSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2)[C@H](C)C1 ZINC000162959267 432839268 /nfs/dbraw/zinc/83/92/68/432839268.db2.gz UELNXLQFJIIKJM-VQIMIIECSA-N 2 1 322.468 3.095 20 0 DGADMP Clc1c[nH+]ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000267337220 432832795 /nfs/dbraw/zinc/83/27/95/432832795.db2.gz CRCAZQPVKRRVIA-UHFFFAOYSA-N 2 1 302.809 3.207 20 0 DGADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000162781004 432835060 /nfs/dbraw/zinc/83/50/60/432835060.db2.gz PLXADCDPAHFJAQ-KRWDZBQOSA-N 2 1 305.466 3.282 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000161526149 432785346 /nfs/dbraw/zinc/78/53/46/432785346.db2.gz COHNVWMSDWRTBT-YQVWRLOYSA-N 2 1 304.478 3.472 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000161932014 432804706 /nfs/dbraw/zinc/80/47/06/432804706.db2.gz NADQKDWYLNUASB-LJQANCHMSA-N 2 1 316.489 3.194 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@H]1CCc2ccccc21 ZINC000267028531 432806383 /nfs/dbraw/zinc/80/63/83/432806383.db2.gz DKDFRAVDQCQAKY-SFHVURJKSA-N 2 1 304.397 3.387 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000162155161 432814056 /nfs/dbraw/zinc/81/40/56/432814056.db2.gz HVTJAJSTNKVRPL-IBGZPJMESA-N 2 1 304.478 3.220 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000277593665 432863345 /nfs/dbraw/zinc/86/33/45/432863345.db2.gz VDBQLCUTWLPECK-HNNXBMFYSA-N 2 1 312.404 3.247 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000277593665 432863348 /nfs/dbraw/zinc/86/33/48/432863348.db2.gz VDBQLCUTWLPECK-HNNXBMFYSA-N 2 1 312.404 3.247 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)c(Cl)c2)CCCO1 ZINC000277616710 432864071 /nfs/dbraw/zinc/86/40/71/432864071.db2.gz BDFGFNLLNYMJKL-CYBMUJFWSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(Cl)c2)CCCO1 ZINC000277616710 432864072 /nfs/dbraw/zinc/86/40/72/432864072.db2.gz BDFGFNLLNYMJKL-CYBMUJFWSA-N 2 1 314.832 3.070 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000245851797 432865071 /nfs/dbraw/zinc/86/50/71/432865071.db2.gz GHMKSZKKBSTOIJ-BHIYHBOVSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc3ccccc23)CCCO1 ZINC000277623410 432865183 /nfs/dbraw/zinc/86/51/83/432865183.db2.gz BRUJSMKJQUOHJF-OAHLLOKOSA-N 2 1 318.486 3.492 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245889546 432868184 /nfs/dbraw/zinc/86/81/84/432868184.db2.gz CBHIMZLSCWBPRJ-HZPDHXFCSA-N 2 1 312.498 3.208 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C12CCC2 ZINC000245951908 432872630 /nfs/dbraw/zinc/87/26/30/432872630.db2.gz WOGKYWQOYLXCRO-KZNAEPCWSA-N 2 1 308.510 3.292 20 0 DGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278403505 432892941 /nfs/dbraw/zinc/89/29/41/432892941.db2.gz DSLXSPYCNQFCLA-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278403505 432892944 /nfs/dbraw/zinc/89/29/44/432892944.db2.gz DSLXSPYCNQFCLA-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)[C@@H](C)C1 ZINC000245574834 432846716 /nfs/dbraw/zinc/84/67/16/432846716.db2.gz DNLWEOSPWOTJCI-ZFWWWQNUSA-N 2 1 309.523 3.303 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263287 432848235 /nfs/dbraw/zinc/84/82/35/432848235.db2.gz AQUYEKSNSKVHNO-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263287 432848238 /nfs/dbraw/zinc/84/82/38/432848238.db2.gz AQUYEKSNSKVHNO-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245604778 432848871 /nfs/dbraw/zinc/84/88/71/432848871.db2.gz JVYWTZUMYZUQCB-HIFRSBDPSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245604778 432848874 /nfs/dbraw/zinc/84/88/74/432848874.db2.gz JVYWTZUMYZUQCB-HIFRSBDPSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH+](C)CC[C@H]1CCC[N@@H+]1C)CCC2 ZINC000245604778 432848876 /nfs/dbraw/zinc/84/88/76/432848876.db2.gz JVYWTZUMYZUQCB-HIFRSBDPSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH+](C)CC[C@H]1CCC[N@H+]1C)CCC2 ZINC000245604778 432848879 /nfs/dbraw/zinc/84/88/79/432848879.db2.gz JVYWTZUMYZUQCB-HIFRSBDPSA-N 2 1 307.507 3.499 20 0 DGADMP CCOCc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000277429824 432849450 /nfs/dbraw/zinc/84/94/50/432849450.db2.gz JKWGEAZSVYQDQT-SFHVURJKSA-N 2 1 320.477 3.148 20 0 DGADMP CCOCc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000277429824 432849453 /nfs/dbraw/zinc/84/94/53/432849453.db2.gz JKWGEAZSVYQDQT-SFHVURJKSA-N 2 1 320.477 3.148 20 0 DGADMP CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000163303843 432849804 /nfs/dbraw/zinc/84/98/04/432849804.db2.gz SPLMWIYUYDYQJN-NWDGAFQWSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000163303843 432849806 /nfs/dbraw/zinc/84/98/06/432849806.db2.gz SPLMWIYUYDYQJN-NWDGAFQWSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000163303843 432849809 /nfs/dbraw/zinc/84/98/09/432849809.db2.gz SPLMWIYUYDYQJN-NWDGAFQWSA-N 2 1 316.367 3.420 20 0 DGADMP C[C@H](OCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000163372500 432850572 /nfs/dbraw/zinc/85/05/72/432850572.db2.gz GIESOWGBRPJLJG-VXIBKDFQSA-N 2 1 304.478 3.473 20 0 DGADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490899 432854165 /nfs/dbraw/zinc/85/41/65/432854165.db2.gz YHSXBFBPZYECLE-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490899 432854168 /nfs/dbraw/zinc/85/41/68/432854168.db2.gz YHSXBFBPZYECLE-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490899 432854170 /nfs/dbraw/zinc/85/41/70/432854170.db2.gz YHSXBFBPZYECLE-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000163490899 432854171 /nfs/dbraw/zinc/85/41/71/432854171.db2.gz YHSXBFBPZYECLE-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245707722 432857419 /nfs/dbraw/zinc/85/74/19/432857419.db2.gz MUYKXIURSCQHAS-UVBQOVKKSA-N 2 1 316.489 3.179 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000245724499 432859300 /nfs/dbraw/zinc/85/93/00/432859300.db2.gz VBZPIKQZKIXCMZ-SJLPKXTDSA-N 2 1 304.478 3.290 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000245724499 432859302 /nfs/dbraw/zinc/85/93/02/432859302.db2.gz VBZPIKQZKIXCMZ-SJLPKXTDSA-N 2 1 304.478 3.290 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000289150966 432927696 /nfs/dbraw/zinc/92/76/96/432927696.db2.gz GHPSIGIEVDNVCH-MRXNPFEDSA-N 2 1 317.408 3.397 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000289214923 432934936 /nfs/dbraw/zinc/93/49/36/432934936.db2.gz KTXJINIARBQFLJ-HNNXBMFYSA-N 2 1 303.381 3.006 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289330654 432944474 /nfs/dbraw/zinc/94/44/74/432944474.db2.gz VQKNCKMBGSKLDV-XJKSGUPXSA-N 2 1 306.425 3.143 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000278770454 432900178 /nfs/dbraw/zinc/90/01/78/432900178.db2.gz XVIDJGBECNOSAI-VQIMIIECSA-N 2 1 302.462 3.073 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000296395239 432903906 /nfs/dbraw/zinc/90/39/06/432903906.db2.gz LFRMLUWCOSSHAI-CRAIPNDOSA-N 2 1 304.503 3.301 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)F)c1 ZINC000278884978 432912531 /nfs/dbraw/zinc/91/25/31/432912531.db2.gz DBBIJECKUGROKT-OLZOCXBDSA-N 2 1 321.371 3.398 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000296525097 432918683 /nfs/dbraw/zinc/91/86/83/432918683.db2.gz QERPSHPXGOWULP-NWDGAFQWSA-N 2 1 317.260 3.445 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1O ZINC000289542734 432967292 /nfs/dbraw/zinc/96/72/92/432967292.db2.gz BRYWWQYBFDCEMB-LBPRGKRZSA-N 2 1 306.450 3.361 20 0 DGADMP C[N@@H+](CCCn1ccnc1)CCOc1ccc2ccccc2c1 ZINC000341119633 432967352 /nfs/dbraw/zinc/96/73/52/432967352.db2.gz HKJFHNXDOMVVJK-UHFFFAOYSA-N 2 1 309.413 3.437 20 0 DGADMP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)c1ccnn1C ZINC000297159341 432967786 /nfs/dbraw/zinc/96/77/86/432967786.db2.gz CSSKSPDESPMHBE-LBPRGKRZSA-N 2 1 315.808 3.110 20 0 DGADMP Cc1ccc2nc(CNCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000341142427 432973261 /nfs/dbraw/zinc/97/32/61/432973261.db2.gz XLSZWUQZQSXPIZ-CALCHBBNSA-N 2 1 314.477 3.100 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000290133141 432997890 /nfs/dbraw/zinc/99/78/90/432997890.db2.gz KBTZVIVPVKJKIY-UXPWSPDFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000290133141 432997895 /nfs/dbraw/zinc/99/78/95/432997895.db2.gz KBTZVIVPVKJKIY-UXPWSPDFSA-N 2 1 316.489 3.180 20 0 DGADMP Cn1cncc1CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000290130631 432998219 /nfs/dbraw/zinc/99/82/19/432998219.db2.gz UZZLLTILRPOOSD-OAHLLOKOSA-N 2 1 312.442 3.409 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H](C)C1 ZINC000332337498 432998496 /nfs/dbraw/zinc/99/84/96/432998496.db2.gz WBDWCYVZHPBYCP-JQFCIGGWSA-N 2 1 317.477 3.191 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2nccn21 ZINC000289418329 432956692 /nfs/dbraw/zinc/95/66/92/432956692.db2.gz IUVMHONXWVQEDI-UHFFFAOYSA-N 2 1 322.456 3.418 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CCCC2)CC1 ZINC000349790485 433009785 /nfs/dbraw/zinc/00/97/85/433009785.db2.gz LDAAJFHEVAXYDN-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290195022 433010327 /nfs/dbraw/zinc/01/03/27/433010327.db2.gz OQXXDSYGQHRYHU-VDGAXYAQSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000341277102 433014465 /nfs/dbraw/zinc/01/44/65/433014465.db2.gz FBMBUFBGCHEMFB-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP Fc1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000297757372 433014732 /nfs/dbraw/zinc/01/47/32/433014732.db2.gz UTSKMAMJYDWIJR-HKUYNNGSSA-N 2 1 318.436 3.262 20 0 DGADMP CCOc1cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(Cl)c1O ZINC000297777949 433016438 /nfs/dbraw/zinc/01/64/38/433016438.db2.gz VZMNIECZMLTAII-XHDPSFHLSA-N 2 1 324.852 3.017 20 0 DGADMP CCOc1cc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(Cl)c1O ZINC000297777949 433016442 /nfs/dbraw/zinc/01/64/42/433016442.db2.gz VZMNIECZMLTAII-XHDPSFHLSA-N 2 1 324.852 3.017 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncc(OC)c2)CC1 ZINC000290357046 433037717 /nfs/dbraw/zinc/03/77/17/433037717.db2.gz QNXDGWWBEGWSKO-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP CCn1nc(C[N@H+](C)CCCn2cc[nH+]c2C)c2ccccc21 ZINC000290364582 433039223 /nfs/dbraw/zinc/03/92/23/433039223.db2.gz HAKKSCUIDXXOSP-UHFFFAOYSA-N 2 1 311.433 3.083 20 0 DGADMP CCn1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)c2ccccc21 ZINC000290364582 433039225 /nfs/dbraw/zinc/03/92/25/433039225.db2.gz HAKKSCUIDXXOSP-UHFFFAOYSA-N 2 1 311.433 3.083 20 0 DGADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000349965334 433042320 /nfs/dbraw/zinc/04/23/20/433042320.db2.gz FKOCBOODJCSFAA-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1ccc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)ccc2n1 ZINC000290430344 433049755 /nfs/dbraw/zinc/04/97/55/433049755.db2.gz LGFIALFPKVEUHW-AZUAARDMSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)ccc2n1 ZINC000290430344 433049760 /nfs/dbraw/zinc/04/97/60/433049760.db2.gz LGFIALFPKVEUHW-AZUAARDMSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)ccc2n1 ZINC000290430344 433049764 /nfs/dbraw/zinc/04/97/64/433049764.db2.gz LGFIALFPKVEUHW-AZUAARDMSA-N 2 1 309.457 3.459 20 0 DGADMP CCOc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1O ZINC000298204522 433055096 /nfs/dbraw/zinc/05/50/96/433055096.db2.gz YIMYPYYMVICKMQ-UHFFFAOYSA-N 2 1 306.450 3.003 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546828 433091420 /nfs/dbraw/zinc/09/14/20/433091420.db2.gz RNNNRDRCGFWWBC-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546828 433091428 /nfs/dbraw/zinc/09/14/28/433091428.db2.gz RNNNRDRCGFWWBC-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546828 433091434 /nfs/dbraw/zinc/09/14/34/433091434.db2.gz RNNNRDRCGFWWBC-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000354513884 433122469 /nfs/dbraw/zinc/12/24/69/433122469.db2.gz ZSGKXHSOZOTLPF-IBGZPJMESA-N 2 1 301.478 3.177 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000354513884 433122478 /nfs/dbraw/zinc/12/24/78/433122478.db2.gz ZSGKXHSOZOTLPF-IBGZPJMESA-N 2 1 301.478 3.177 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361348331 433123337 /nfs/dbraw/zinc/12/33/37/433123337.db2.gz JMZBITDAOBRTBV-LPHOPBHVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000361348331 433123343 /nfs/dbraw/zinc/12/33/43/433123343.db2.gz JMZBITDAOBRTBV-LPHOPBHVSA-N 2 1 302.462 3.056 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1O ZINC000290653946 433128941 /nfs/dbraw/zinc/12/89/41/433128941.db2.gz KFVYBCJBYFLMGV-HOTGVXAUSA-N 2 1 320.477 3.419 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000290653946 433128947 /nfs/dbraw/zinc/12/89/47/433128947.db2.gz KFVYBCJBYFLMGV-HOTGVXAUSA-N 2 1 320.477 3.419 20 0 DGADMP COC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000453387736 433143117 /nfs/dbraw/zinc/14/31/17/433143117.db2.gz BCOHSPMWDGJESL-QGZVFWFLSA-N 2 1 310.869 3.492 20 0 DGADMP COC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000453387300 433145192 /nfs/dbraw/zinc/14/51/92/433145192.db2.gz BCOHSPMWDGJESL-KRWDZBQOSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000373254412 433146882 /nfs/dbraw/zinc/14/68/82/433146882.db2.gz YTOQIHNAKDTVPH-FAJAVTLNSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000373254414 433148056 /nfs/dbraw/zinc/14/80/56/433148056.db2.gz YTOQIHNAKDTVPH-ONSCTEFMSA-N 2 1 314.473 3.054 20 0 DGADMP CCS[C@@H]1CCCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296112 433148977 /nfs/dbraw/zinc/14/89/77/433148977.db2.gz DCMKLUZOKMHAEZ-FUHWJXTLSA-N 2 1 322.518 3.345 20 0 DGADMP CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC000453393256 433150839 /nfs/dbraw/zinc/15/08/39/433150839.db2.gz ZWZOABGMMMZWBA-LDLYASANSA-N 2 1 314.473 3.198 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000290737849 433153340 /nfs/dbraw/zinc/15/33/40/433153340.db2.gz PVSIFJWVQYDIKA-CZUORRHYSA-N 2 1 319.836 3.076 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)CC1 ZINC000290572519 433100945 /nfs/dbraw/zinc/10/09/45/433100945.db2.gz TYKLXEOGHYOVGS-LJQANCHMSA-N 2 1 309.457 3.399 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCCO2 ZINC000453339887 433102771 /nfs/dbraw/zinc/10/27/71/433102771.db2.gz HBHZEUZTPNVQEP-MUSFGAPCSA-N 2 1 316.445 3.124 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCCO2 ZINC000453339887 433102783 /nfs/dbraw/zinc/10/27/83/433102783.db2.gz HBHZEUZTPNVQEP-MUSFGAPCSA-N 2 1 316.445 3.124 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000290583779 433104532 /nfs/dbraw/zinc/10/45/32/433104532.db2.gz UTEQYXSATBBWHB-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000290583779 433104544 /nfs/dbraw/zinc/10/45/44/433104544.db2.gz UTEQYXSATBBWHB-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000290583779 433104555 /nfs/dbraw/zinc/10/45/55/433104555.db2.gz UTEQYXSATBBWHB-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000290583779 433104562 /nfs/dbraw/zinc/10/45/62/433104562.db2.gz UTEQYXSATBBWHB-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](COCc2ccccc2)C(C)C)CC1 ZINC000446759609 433105659 /nfs/dbraw/zinc/10/56/59/433105659.db2.gz PKBBXFRKHBACIU-LJQANCHMSA-N 2 1 304.478 3.302 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000350182525 433108164 /nfs/dbraw/zinc/10/81/64/433108164.db2.gz ZMOFCAFWKSHSKG-QAPCUYQASA-N 2 1 308.441 3.319 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000420318044 433158190 /nfs/dbraw/zinc/15/81/90/433158190.db2.gz VMEPJGPVQNHZKS-XUVXKRRUSA-N 2 1 316.489 3.228 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000420313796 433159867 /nfs/dbraw/zinc/15/98/67/433159867.db2.gz KDNLPNJVQOAATG-CABCVRRESA-N 2 1 300.368 3.393 20 0 DGADMP c1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000420318735 433160164 /nfs/dbraw/zinc/16/01/64/433160164.db2.gz ORLHCZDSAAIMIG-IEBWSBKVSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000420317702 433162130 /nfs/dbraw/zinc/16/21/30/433162130.db2.gz NUDCBRHKNZPIEZ-CQSZACIVSA-N 2 1 318.440 3.208 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290773402 433162338 /nfs/dbraw/zinc/16/23/38/433162338.db2.gz BKTFMHKDQYPRME-UHFFFAOYSA-N 2 1 313.232 3.463 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000420328462 433163825 /nfs/dbraw/zinc/16/38/25/433163825.db2.gz ZNUCRKHVOVWALY-HNNXBMFYSA-N 2 1 320.383 3.148 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000420328462 433163835 /nfs/dbraw/zinc/16/38/35/433163835.db2.gz ZNUCRKHVOVWALY-HNNXBMFYSA-N 2 1 320.383 3.148 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000420323786 433164054 /nfs/dbraw/zinc/16/40/54/433164054.db2.gz UIZVEHIAILMANA-WMZOPIPTSA-N 2 1 304.478 3.338 20 0 DGADMP Clc1cccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420330881 433164905 /nfs/dbraw/zinc/16/49/05/433164905.db2.gz IHJXIRDIUGUQJF-GASCZTMLSA-N 2 1 308.853 3.040 20 0 DGADMP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338304 433170752 /nfs/dbraw/zinc/17/07/52/433170752.db2.gz XSYCSCZQPKKEGG-UONOGXRCSA-N 2 1 310.844 3.343 20 0 DGADMP c1csc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000420337344 433171460 /nfs/dbraw/zinc/17/14/60/433171460.db2.gz WTTIMUJRFCGMSO-ZIAGYGMSSA-N 2 1 317.458 3.225 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420355398 433174037 /nfs/dbraw/zinc/17/40/37/433174037.db2.gz DWQDSPDXIJZYEV-CQSZACIVSA-N 2 1 316.367 3.105 20 0 DGADMP Clc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345941 433176145 /nfs/dbraw/zinc/17/61/45/433176145.db2.gz WYHQOCKUZKQCTD-GJZGRUSLSA-N 2 1 308.853 3.040 20 0 DGADMP Cc1[nH+]ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000336706216 433176373 /nfs/dbraw/zinc/17/63/73/433176373.db2.gz HZPNNFGMHHLIQW-MRXNPFEDSA-N 2 1 315.848 3.399 20 0 DGADMP Fc1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000420357451 433178556 /nfs/dbraw/zinc/17/85/56/433178556.db2.gz HWECRQQWARLQHB-MRXNPFEDSA-N 2 1 320.452 3.196 20 0 DGADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@H]2CCCOC2)CC1 ZINC000336704631 433179259 /nfs/dbraw/zinc/17/92/59/433179259.db2.gz GLTCWWBOEZQBAW-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@H]2CCCOC2)CC1 ZINC000336704631 433179263 /nfs/dbraw/zinc/17/92/63/433179263.db2.gz GLTCWWBOEZQBAW-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CCSCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336699767 433180713 /nfs/dbraw/zinc/18/07/13/433180713.db2.gz DHODOPWZNNXGRM-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336699767 433180721 /nfs/dbraw/zinc/18/07/21/433180721.db2.gz DHODOPWZNNXGRM-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336699767 433180732 /nfs/dbraw/zinc/18/07/32/433180732.db2.gz DHODOPWZNNXGRM-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000420373978 433187343 /nfs/dbraw/zinc/18/73/43/433187343.db2.gz ZUEMXSZDTMQKRU-KRWDZBQOSA-N 2 1 313.445 3.131 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420378966 433187774 /nfs/dbraw/zinc/18/77/74/433187774.db2.gz UUXJPVKEASUELL-RVKKMQEKSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420378966 433187778 /nfs/dbraw/zinc/18/77/78/433187778.db2.gz UUXJPVKEASUELL-RVKKMQEKSA-N 2 1 322.880 3.492 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CO)CC1 ZINC000354689081 433217481 /nfs/dbraw/zinc/21/74/81/433217481.db2.gz HBOGUDAJLCRXNN-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000354689081 433217490 /nfs/dbraw/zinc/21/74/90/433217490.db2.gz HBOGUDAJLCRXNN-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CO)CC1 ZINC000354689081 433217495 /nfs/dbraw/zinc/21/74/95/433217495.db2.gz HBOGUDAJLCRXNN-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925834 433223677 /nfs/dbraw/zinc/22/36/77/433223677.db2.gz RJZDQLIWJLSPRT-LPHOPBHVSA-N 2 1 317.477 3.013 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925834 433223687 /nfs/dbraw/zinc/22/36/87/433223687.db2.gz RJZDQLIWJLSPRT-LPHOPBHVSA-N 2 1 317.477 3.013 20 0 DGADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374604923 433235936 /nfs/dbraw/zinc/23/59/36/433235936.db2.gz OGHCHLMAQSZVPF-ZCNNSNEGSA-N 2 1 309.457 3.405 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726566 433267033 /nfs/dbraw/zinc/26/70/33/433267033.db2.gz GGJXPKGVXKJWPX-JQWIXIFHSA-N 2 1 321.412 3.324 20 0 DGADMP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915336 433315257 /nfs/dbraw/zinc/31/52/57/433315257.db2.gz DQDLXYRQGRKWTL-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915336 433315265 /nfs/dbraw/zinc/31/52/65/433315265.db2.gz DQDLXYRQGRKWTL-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420930834 433323486 /nfs/dbraw/zinc/32/34/86/433323486.db2.gz SMEGCAQOVUUZJE-GOEBONIOSA-N 2 1 321.465 3.024 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420930834 433323491 /nfs/dbraw/zinc/32/34/91/433323491.db2.gz SMEGCAQOVUUZJE-GOEBONIOSA-N 2 1 321.465 3.024 20 0 DGADMP CCN(CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)CC(F)(F)F ZINC000354859440 433324645 /nfs/dbraw/zinc/32/46/45/433324645.db2.gz UCABZGHVUJJRQB-GJZGRUSLSA-N 2 1 323.447 3.065 20 0 DGADMP CCN(CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)CC(F)(F)F ZINC000354859440 433324649 /nfs/dbraw/zinc/32/46/49/433324649.db2.gz UCABZGHVUJJRQB-GJZGRUSLSA-N 2 1 323.447 3.065 20 0 DGADMP CCN(CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)CC(F)(F)F ZINC000354859440 433324656 /nfs/dbraw/zinc/32/46/56/433324656.db2.gz UCABZGHVUJJRQB-GJZGRUSLSA-N 2 1 323.447 3.065 20 0 DGADMP C[C@H]([NH2+]CCOC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374771217 433276614 /nfs/dbraw/zinc/27/66/14/433276614.db2.gz KQVDEIBGMOATTI-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281385376 433293551 /nfs/dbraw/zinc/29/35/51/433293551.db2.gz XPKOGCVQYLPGMT-LBPRGKRZSA-N 2 1 311.351 3.431 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420904707 433304879 /nfs/dbraw/zinc/30/48/79/433304879.db2.gz CEKGBXLLKAGKOA-SJORKVTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420904707 433304892 /nfs/dbraw/zinc/30/48/92/433304892.db2.gz CEKGBXLLKAGKOA-SJORKVTESA-N 2 1 302.462 3.139 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC3=CCCCC3)CC2)CC1 ZINC000420976812 433361187 /nfs/dbraw/zinc/36/11/87/433361187.db2.gz HGLRBRUREGRCET-UHFFFAOYSA-N 2 1 319.537 3.369 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC000420986358 433367070 /nfs/dbraw/zinc/36/70/70/433367070.db2.gz YCJKSSBPIXMYTC-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000420979872 433367136 /nfs/dbraw/zinc/36/71/36/433367136.db2.gz VQWVXAAMRRBHLX-HXUWFJFHSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000420979872 433367147 /nfs/dbraw/zinc/36/71/47/433367147.db2.gz VQWVXAAMRRBHLX-HXUWFJFHSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414432 433367782 /nfs/dbraw/zinc/36/77/82/433367782.db2.gz WHLDQUHEVGUIIK-LPHOPBHVSA-N 2 1 324.472 3.149 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414432 433367788 /nfs/dbraw/zinc/36/77/88/433367788.db2.gz WHLDQUHEVGUIIK-LPHOPBHVSA-N 2 1 324.472 3.149 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C2 ZINC000425914589 433373770 /nfs/dbraw/zinc/37/37/70/433373770.db2.gz IJXOWXRCESVZNJ-MRXNPFEDSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@H](CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OCc1ccccc1 ZINC000354862819 433326609 /nfs/dbraw/zinc/32/66/09/433326609.db2.gz XFQPELBNARWIRF-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H](CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OCc1ccccc1 ZINC000354862819 433326617 /nfs/dbraw/zinc/32/66/17/433326617.db2.gz XFQPELBNARWIRF-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H](CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OCc1ccccc1 ZINC000354862819 433326625 /nfs/dbraw/zinc/32/66/25/433326625.db2.gz XFQPELBNARWIRF-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000281626192 433329743 /nfs/dbraw/zinc/32/97/43/433329743.db2.gz CQWRRWPFHPWCPL-CVEARBPZSA-N 2 1 311.473 3.345 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885722 433333279 /nfs/dbraw/zinc/33/32/79/433333279.db2.gz FZCACZPFVUTRPU-SWLSCSKDSA-N 2 1 315.383 3.405 20 0 DGADMP Fc1ccc(OCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339066384 433335700 /nfs/dbraw/zinc/33/57/00/433335700.db2.gz BIQJGZSNELHILJ-IAGOWNOFSA-N 2 1 306.425 3.201 20 0 DGADMP Cc1cnc([C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000354876659 433337645 /nfs/dbraw/zinc/33/76/45/433337645.db2.gz MOCXWMLMVBHWMH-HNNXBMFYSA-N 2 1 314.433 3.287 20 0 DGADMP Brc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067585 433339834 /nfs/dbraw/zinc/33/98/34/433339834.db2.gz MPSINSRSFGOLJL-LSDHHAIUSA-N 2 1 323.278 3.208 20 0 DGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C/C=C/c3ccncc3)C1)CCCC2 ZINC000426169646 433430892 /nfs/dbraw/zinc/43/08/92/433430892.db2.gz GRZKYKSYFURQBK-SHCNBLLESA-N 2 1 322.456 3.426 20 0 DGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C/C=C/c3ccncc3)C1)CCCC2 ZINC000426169646 433430901 /nfs/dbraw/zinc/43/09/01/433430901.db2.gz GRZKYKSYFURQBK-SHCNBLLESA-N 2 1 322.456 3.426 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(F)c1)C[NH+](C)C ZINC000425935119 433378911 /nfs/dbraw/zinc/37/89/11/433378911.db2.gz GYSRAKPFYLUKDF-QWRGUYRKSA-N 2 1 317.246 3.437 20 0 DGADMP OCC1(C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc2)CC1 ZINC000341972117 433385524 /nfs/dbraw/zinc/38/55/24/433385524.db2.gz QFKYYWAPNNLLPC-UHFFFAOYSA-N 2 1 316.489 3.137 20 0 DGADMP OCC1(C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc2)CC1 ZINC000341972117 433385532 /nfs/dbraw/zinc/38/55/32/433385532.db2.gz QFKYYWAPNNLLPC-UHFFFAOYSA-N 2 1 316.489 3.137 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000351141973 433387777 /nfs/dbraw/zinc/38/77/77/433387777.db2.gz IAFSVBIQVRXADP-WBMJQRKESA-N 2 1 307.825 3.211 20 0 DGADMP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000339147388 433395561 /nfs/dbraw/zinc/39/55/61/433395561.db2.gz DVIJXNGIHFTFBD-KRWDZBQOSA-N 2 1 315.465 3.415 20 0 DGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000339147388 433395575 /nfs/dbraw/zinc/39/55/75/433395575.db2.gz DVIJXNGIHFTFBD-KRWDZBQOSA-N 2 1 315.465 3.415 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000414126438 433413715 /nfs/dbraw/zinc/41/37/15/433413715.db2.gz FEYTYOWHEBDYJC-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CC2)CC1 ZINC000301112515 433417458 /nfs/dbraw/zinc/41/74/58/433417458.db2.gz VUMDOAGOKUGETE-UHFFFAOYSA-N 2 1 301.821 3.420 20 0 DGADMP COCCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000281894493 433422540 /nfs/dbraw/zinc/42/25/40/433422540.db2.gz HIWUNFXKFFLGIZ-GOSISDBHSA-N 2 1 319.424 3.478 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414152223 433424577 /nfs/dbraw/zinc/42/45/77/433424577.db2.gz XGVHBXUYKWVSPD-NCQGUEQISA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892939 433437240 /nfs/dbraw/zinc/43/72/40/433437240.db2.gz NNRDXOYVPSVSJG-MBOZVWFJSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892939 433437247 /nfs/dbraw/zinc/43/72/47/433437247.db2.gz NNRDXOYVPSVSJG-MBOZVWFJSA-N 2 1 316.489 3.038 20 0 DGADMP CCc1nocc1CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000339213517 433443206 /nfs/dbraw/zinc/44/32/06/433443206.db2.gz JIBYMJDLXYGAMZ-CQSZACIVSA-N 2 1 319.474 3.300 20 0 DGADMP CCc1nocc1C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000339213517 433443213 /nfs/dbraw/zinc/44/32/13/433443213.db2.gz JIBYMJDLXYGAMZ-CQSZACIVSA-N 2 1 319.474 3.300 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414203803 433456421 /nfs/dbraw/zinc/45/64/21/433456421.db2.gz NRMAPMRSVJQONP-SCTDSRPQSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414203803 433456425 /nfs/dbraw/zinc/45/64/25/433456425.db2.gz NRMAPMRSVJQONP-SCTDSRPQSA-N 2 1 304.478 3.302 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)C[C@H]21 ZINC000342084586 433456580 /nfs/dbraw/zinc/45/65/80/433456580.db2.gz LYKRGLBLSQAAHP-IAOVAPTHSA-N 2 1 308.853 3.168 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000355089028 433457209 /nfs/dbraw/zinc/45/72/09/433457209.db2.gz IAZHBWYBYISSBQ-UKRRQHHQSA-N 2 1 305.853 3.497 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000342081512 433457813 /nfs/dbraw/zinc/45/78/13/433457813.db2.gz HAPQUEWFVFFCJD-DFQSSKMNSA-N 2 1 324.472 3.048 20 0 DGADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000414200648 433458470 /nfs/dbraw/zinc/45/84/70/433458470.db2.gz XNEVMVACWJPJBS-HOCLYGCPSA-N 2 1 306.498 3.329 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414203800 433458886 /nfs/dbraw/zinc/45/88/86/433458886.db2.gz NRMAPMRSVJQONP-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414203800 433458893 /nfs/dbraw/zinc/45/88/93/433458893.db2.gz NRMAPMRSVJQONP-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP CO[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099332 433460284 /nfs/dbraw/zinc/46/02/84/433460284.db2.gz HQFUOFCFTVCPAF-IAGOWNOFSA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099332 433460291 /nfs/dbraw/zinc/46/02/91/433460291.db2.gz HQFUOFCFTVCPAF-IAGOWNOFSA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099332 433460296 /nfs/dbraw/zinc/46/02/96/433460296.db2.gz HQFUOFCFTVCPAF-IAGOWNOFSA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099332 433460305 /nfs/dbraw/zinc/46/03/05/433460305.db2.gz HQFUOFCFTVCPAF-IAGOWNOFSA-N 2 1 308.853 3.055 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CS1 ZINC000414225604 433470287 /nfs/dbraw/zinc/47/02/87/433470287.db2.gz IZPYRNQEQVJSPJ-KDOFPFPSSA-N 2 1 322.493 3.316 20 0 DGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000434768683 290340051 /nfs/dbraw/zinc/34/00/51/290340051.db2.gz ZONZQFWOTAEZEM-QFBILLFUSA-N 2 1 316.489 3.433 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1C ZINC000282062693 433484033 /nfs/dbraw/zinc/48/40/33/433484033.db2.gz GTMBAJNJTHOZEV-INIZCTEOSA-N 2 1 312.461 3.175 20 0 DGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)O1 ZINC000414293181 433517960 /nfs/dbraw/zinc/51/79/60/433517960.db2.gz YTYICAICDZXCBD-RYRKJORJSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)C(C)C ZINC000414299190 433526379 /nfs/dbraw/zinc/52/63/79/433526379.db2.gz RHPSROQZSDIBCC-RSPOEFSDSA-N 2 1 318.505 3.425 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)C(C)C ZINC000414299190 433526383 /nfs/dbraw/zinc/52/63/83/433526383.db2.gz RHPSROQZSDIBCC-RSPOEFSDSA-N 2 1 318.505 3.425 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]12 ZINC000351486858 433527049 /nfs/dbraw/zinc/52/70/49/433527049.db2.gz BLRYGZPEAVMSLB-DVOMOZLQSA-N 2 1 301.821 3.057 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(C)C ZINC000414305865 433528062 /nfs/dbraw/zinc/52/80/62/433528062.db2.gz XHAZBUFSCWOYBX-GTAWCEEGSA-N 2 1 318.505 3.282 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414260851 433495811 /nfs/dbraw/zinc/49/58/11/433495811.db2.gz NDWRQJMWYXHGHZ-RISVGRPXSA-N 2 1 316.489 3.300 20 0 DGADMP CC(C)[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351522744 433549468 /nfs/dbraw/zinc/54/94/68/433549468.db2.gz ZKZWLEQNQBMZOL-YJBOKZPZSA-N 2 1 324.896 3.424 20 0 DGADMP CC(C)[C@@H](c1ccccc1Cl)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351522742 433550703 /nfs/dbraw/zinc/55/07/03/433550703.db2.gz ZKZWLEQNQBMZOL-QAPCUYQASA-N 2 1 324.896 3.424 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414339724 433557092 /nfs/dbraw/zinc/55/70/92/433557092.db2.gz LXDKAGSYHHLXMT-DWRORGKVSA-N 2 1 300.446 3.015 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)on1 ZINC000351537575 433557672 /nfs/dbraw/zinc/55/76/72/433557672.db2.gz QCZMXRSSKSSWAM-INIZCTEOSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1cccc(C)c1OCCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433542 433581320 /nfs/dbraw/zinc/58/13/20/433581320.db2.gz MLRIBMXPIMJEMW-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433542 433581335 /nfs/dbraw/zinc/58/13/35/433581335.db2.gz MLRIBMXPIMJEMW-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433542 433581341 /nfs/dbraw/zinc/58/13/41/433581341.db2.gz MLRIBMXPIMJEMW-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1[nH+]ccn1CCCN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426754562 433582015 /nfs/dbraw/zinc/58/20/15/433582015.db2.gz RFWHJZXLGVDNOR-UHFFFAOYSA-N 2 1 306.498 3.168 20 0 DGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000282375326 433583474 /nfs/dbraw/zinc/58/34/74/433583474.db2.gz QMFQUJQSNGXSNY-GFCCVEGCSA-N 2 1 315.914 3.078 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000161499297 292836307 /nfs/dbraw/zinc/83/63/07/292836307.db2.gz XNCUOFGCBLESHY-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000362328754 433648654 /nfs/dbraw/zinc/64/86/54/433648654.db2.gz VQZYBCHZFCEQRW-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000362328754 433648660 /nfs/dbraw/zinc/64/86/60/433648660.db2.gz VQZYBCHZFCEQRW-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000362328754 433648668 /nfs/dbraw/zinc/64/86/68/433648668.db2.gz VQZYBCHZFCEQRW-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C(C)C)C3CC3)CC2)nc(C)[nH+]1 ZINC000162312115 292850821 /nfs/dbraw/zinc/85/08/21/292850821.db2.gz YFONUBUPSYYVIY-GOSISDBHSA-N 2 1 302.466 3.086 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000362314669 433638476 /nfs/dbraw/zinc/63/84/76/433638476.db2.gz GHNGEDFBSKZWFO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000362314669 433638485 /nfs/dbraw/zinc/63/84/85/433638485.db2.gz GHNGEDFBSKZWFO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000362314669 433638494 /nfs/dbraw/zinc/63/84/94/433638494.db2.gz GHNGEDFBSKZWFO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP Cc1cc[nH+]c(NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000301619496 433643636 /nfs/dbraw/zinc/64/36/36/433643636.db2.gz BZGBJHLAQPCSAZ-UHFFFAOYSA-N 2 1 310.445 3.014 20 0 DGADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000375862911 433595195 /nfs/dbraw/zinc/59/51/95/433595195.db2.gz WIMACFBYQMXIAL-OAHLLOKOSA-N 2 1 318.490 3.065 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000375862911 433595203 /nfs/dbraw/zinc/59/52/03/433595203.db2.gz WIMACFBYQMXIAL-OAHLLOKOSA-N 2 1 318.490 3.065 20 0 DGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC000366085972 292911888 /nfs/dbraw/zinc/91/18/88/292911888.db2.gz KOYRLUWSLASTCA-DLBZAZTESA-N 2 1 306.498 3.155 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000427107836 433653999 /nfs/dbraw/zinc/65/39/99/433653999.db2.gz APUNRFZHFRJDGD-DYVFJYSZSA-N 2 1 300.377 3.270 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000427107836 433654006 /nfs/dbraw/zinc/65/40/06/433654006.db2.gz APUNRFZHFRJDGD-DYVFJYSZSA-N 2 1 300.377 3.270 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Oc1cccnc1 ZINC000427115722 433655978 /nfs/dbraw/zinc/65/59/78/433655978.db2.gz SSNIGDSAXQAFMU-HKUYNNGSSA-N 2 1 323.440 3.366 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Oc1cccnc1 ZINC000427115722 433655986 /nfs/dbraw/zinc/65/59/86/433655986.db2.gz SSNIGDSAXQAFMU-HKUYNNGSSA-N 2 1 323.440 3.366 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704457 433676935 /nfs/dbraw/zinc/67/69/35/433676935.db2.gz YYSJXHJBGLAVNO-DOTOQJQBSA-N 2 1 317.477 3.175 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704457 433676945 /nfs/dbraw/zinc/67/69/45/433676945.db2.gz YYSJXHJBGLAVNO-DOTOQJQBSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704457 433676957 /nfs/dbraw/zinc/67/69/57/433676957.db2.gz YYSJXHJBGLAVNO-DOTOQJQBSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704457 433676962 /nfs/dbraw/zinc/67/69/62/433676962.db2.gz YYSJXHJBGLAVNO-DOTOQJQBSA-N 2 1 317.477 3.175 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000449027470 433680115 /nfs/dbraw/zinc/68/01/15/433680115.db2.gz IMZLISYZMQMTBG-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000449027470 433680121 /nfs/dbraw/zinc/68/01/21/433680121.db2.gz IMZLISYZMQMTBG-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000376044021 433650119 /nfs/dbraw/zinc/65/01/19/433650119.db2.gz ANYSXHZSMAFOOA-BJLQDIEVSA-N 2 1 315.505 3.223 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)CC1 ZINC000366953284 293008203 /nfs/dbraw/zinc/00/82/03/293008203.db2.gz NSQXFKGRYYQSOW-UHFFFAOYSA-N 2 1 304.482 3.015 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367085288 293023633 /nfs/dbraw/zinc/02/36/33/293023633.db2.gz FFZTZERKZAGCCC-MSOLQXFVSA-N 2 1 308.510 3.292 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCCCC(=O)OC(C)(C)C)C2)CC1 ZINC000367198272 293037160 /nfs/dbraw/zinc/03/71/60/293037160.db2.gz AEQCGTHKLVJXFP-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCOc3ccccc32)CC1 ZINC000367467139 293076755 /nfs/dbraw/zinc/07/67/55/293076755.db2.gz IVTRGLUHQTZODO-MRXNPFEDSA-N 2 1 302.462 3.359 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C[C@@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC000367957906 293094424 /nfs/dbraw/zinc/09/44/24/293094424.db2.gz CRNVLFFZPWZYMD-ZCNNSNEGSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC000367957906 293094427 /nfs/dbraw/zinc/09/44/27/293094427.db2.gz CRNVLFFZPWZYMD-ZCNNSNEGSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC000367957906 293094429 /nfs/dbraw/zinc/09/44/29/293094429.db2.gz CRNVLFFZPWZYMD-ZCNNSNEGSA-N 2 1 312.457 3.133 20 0 DGADMP CC(C)(O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000370166043 293160160 /nfs/dbraw/zinc/16/01/60/293160160.db2.gz AXRRIURPWXOQLX-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370166043 293160161 /nfs/dbraw/zinc/16/01/61/293160161.db2.gz AXRRIURPWXOQLX-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370166043 293160162 /nfs/dbraw/zinc/16/01/62/293160162.db2.gz AXRRIURPWXOQLX-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677164 293185050 /nfs/dbraw/zinc/18/50/50/293185050.db2.gz SLBYXEIAXGLIIX-IMJJTQAJSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677164 293185053 /nfs/dbraw/zinc/18/50/53/293185053.db2.gz SLBYXEIAXGLIIX-IMJJTQAJSA-N 2 1 305.441 3.169 20 0 DGADMP CCC(CC)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+](C)C ZINC000371579576 293213195 /nfs/dbraw/zinc/21/31/95/293213195.db2.gz AARKFKDBGQDSOJ-INIZCTEOSA-N 2 1 324.538 3.068 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529115 293286760 /nfs/dbraw/zinc/28/67/60/293286760.db2.gz LMXDWXFBFLPYMR-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529115 293286762 /nfs/dbraw/zinc/28/67/62/293286762.db2.gz LMXDWXFBFLPYMR-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373905236 293330283 /nfs/dbraw/zinc/33/02/83/293330283.db2.gz PIXTTWDTBMAZLT-SFHVURJKSA-N 2 1 322.493 3.059 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000374324904 293384036 /nfs/dbraw/zinc/38/40/36/293384036.db2.gz NPYJONFHUQZGQS-UHFFFAOYSA-N 2 1 318.852 3.048 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000374324904 293384039 /nfs/dbraw/zinc/38/40/39/293384039.db2.gz NPYJONFHUQZGQS-UHFFFAOYSA-N 2 1 318.852 3.048 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374335615 293385500 /nfs/dbraw/zinc/38/55/00/293385500.db2.gz YDQVWGLHULXUPS-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374335615 293385503 /nfs/dbraw/zinc/38/55/03/293385503.db2.gz YDQVWGLHULXUPS-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000449059839 433717605 /nfs/dbraw/zinc/71/76/05/433717605.db2.gz CWSZWNRYASEXHM-NSHDSACASA-N 2 1 317.260 3.445 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449147340 433726201 /nfs/dbraw/zinc/72/62/01/433726201.db2.gz GDXIFMJVLDSXIO-ROUUACIJSA-N 2 1 308.510 3.316 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000449169520 433730466 /nfs/dbraw/zinc/73/04/66/433730466.db2.gz OSEFRAKQUIOVDO-CEXWTWQISA-N 2 1 316.489 3.038 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000449169520 433730474 /nfs/dbraw/zinc/73/04/74/433730474.db2.gz OSEFRAKQUIOVDO-CEXWTWQISA-N 2 1 316.489 3.038 20 0 DGADMP C([NH2+][C@H]1CCCC12CCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000449224807 433730495 /nfs/dbraw/zinc/73/04/95/433730495.db2.gz MXEPHRXOEPNUMZ-KRWDZBQOSA-N 2 1 306.494 3.334 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000421823198 433747284 /nfs/dbraw/zinc/74/72/84/433747284.db2.gz YUNYTUVCDRYDGZ-STQMWFEESA-N 2 1 310.844 3.484 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000376474742 433747660 /nfs/dbraw/zinc/74/76/60/433747660.db2.gz XXZOIPJOAPEXEZ-MSOLQXFVSA-N 2 1 304.503 3.241 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421827500 433752287 /nfs/dbraw/zinc/75/22/87/433752287.db2.gz XYQMULOPNCASTI-FUHWJXTLSA-N 2 1 301.478 3.039 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421827501 433753295 /nfs/dbraw/zinc/75/32/95/433753295.db2.gz XYQMULOPNCASTI-SJLPKXTDSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000351865463 433760873 /nfs/dbraw/zinc/76/08/73/433760873.db2.gz NHKWFTQFKORWHJ-PXNSSMCTSA-N 2 1 324.468 3.462 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421839388 433764131 /nfs/dbraw/zinc/76/41/31/433764131.db2.gz XGFPASOYPGQORE-PKOBYXMFSA-N 2 1 315.505 3.287 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000414652614 433770963 /nfs/dbraw/zinc/77/09/63/433770963.db2.gz DNHQTUWRFCMFNV-WDEREUQCSA-N 2 1 317.296 3.378 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000414652614 433770965 /nfs/dbraw/zinc/77/09/65/433770965.db2.gz DNHQTUWRFCMFNV-WDEREUQCSA-N 2 1 317.296 3.378 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852888 433776467 /nfs/dbraw/zinc/77/64/67/433776467.db2.gz IBFDESVDHUQGAX-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852888 433776477 /nfs/dbraw/zinc/77/64/77/433776477.db2.gz IBFDESVDHUQGAX-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC000429528496 433780862 /nfs/dbraw/zinc/78/08/62/433780862.db2.gz KFZWRMDXDONVHP-OAHLLOKOSA-N 2 1 301.409 3.290 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC000429528496 433780873 /nfs/dbraw/zinc/78/08/73/433780873.db2.gz KFZWRMDXDONVHP-OAHLLOKOSA-N 2 1 301.409 3.290 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555216 433781414 /nfs/dbraw/zinc/78/14/14/433781414.db2.gz FKJLPGHJKYSPRG-ROVVAWJSSA-N 2 1 306.400 3.396 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555216 433781423 /nfs/dbraw/zinc/78/14/23/433781423.db2.gz FKJLPGHJKYSPRG-ROVVAWJSSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555216 433781427 /nfs/dbraw/zinc/78/14/27/433781427.db2.gz FKJLPGHJKYSPRG-ROVVAWJSSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000293555216 433781436 /nfs/dbraw/zinc/78/14/36/433781436.db2.gz FKJLPGHJKYSPRG-ROVVAWJSSA-N 2 1 306.400 3.396 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000414676972 433782360 /nfs/dbraw/zinc/78/23/60/433782360.db2.gz NYTZKBYMTHFTDQ-LZLYRXPVSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH2+]1 ZINC000414683114 433788011 /nfs/dbraw/zinc/78/80/11/433788011.db2.gz SPOANHYHVBKCMP-IRXDYDNUSA-N 2 1 301.478 3.107 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000414684642 433788826 /nfs/dbraw/zinc/78/88/26/433788826.db2.gz WMLGOEKDDIBRCZ-OAGGEKHMSA-N 2 1 308.491 3.117 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2C1 ZINC000283888871 433791260 /nfs/dbraw/zinc/79/12/60/433791260.db2.gz IFWIYUWBSWPZHE-UHFFFAOYSA-N 2 1 320.396 3.312 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2C1 ZINC000283888871 433791272 /nfs/dbraw/zinc/79/12/72/433791272.db2.gz IFWIYUWBSWPZHE-UHFFFAOYSA-N 2 1 320.396 3.312 20 0 DGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430924306 433801919 /nfs/dbraw/zinc/80/19/19/433801919.db2.gz ACXCFXJSAPZYSI-JKSUJKDBSA-N 2 1 323.440 3.281 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000357000163 433810047 /nfs/dbraw/zinc/81/00/47/433810047.db2.gz CRYPCEHQIKLOLD-INIZCTEOSA-N 2 1 323.481 3.114 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C)COC2)CC1 ZINC000283993341 433814683 /nfs/dbraw/zinc/81/46/83/433814683.db2.gz HLWOZORZLKTUSG-UHFFFAOYSA-N 2 1 302.462 3.056 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414836664 433874716 /nfs/dbraw/zinc/87/47/16/433874716.db2.gz ISTNLAGKQWJUCK-SSDOTTSWSA-N 2 1 311.676 3.109 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000414842205 433876287 /nfs/dbraw/zinc/87/62/87/433876287.db2.gz YTMDAILYPFZRBK-LSTHTHJFSA-N 2 1 309.457 3.112 20 0 DGADMP CN(CC[N@@H+](C)CC1CCC(C)(C)CC1)C1CC[NH+](C)CC1 ZINC000343658629 433825695 /nfs/dbraw/zinc/82/56/95/433825695.db2.gz JQNQPXKTYINCPQ-UHFFFAOYSA-N 2 1 309.542 3.161 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414772406 433826939 /nfs/dbraw/zinc/82/69/39/433826939.db2.gz BUQDDVFHIPIQFB-UONOGXRCSA-N 2 1 308.853 3.170 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284060352 433827051 /nfs/dbraw/zinc/82/70/51/433827051.db2.gz AIOXDFSOKULTCV-FQEVSTJZSA-N 2 1 316.489 3.017 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000414778559 433828612 /nfs/dbraw/zinc/82/86/12/433828612.db2.gz JBVWBXMECSTLRI-MSOLQXFVSA-N 2 1 302.462 3.134 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc2n1 ZINC000414780009 433828691 /nfs/dbraw/zinc/82/86/91/433828691.db2.gz LAXJWKKWQROQPT-RBUKOAKNSA-N 2 1 309.457 3.365 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414779476 433831245 /nfs/dbraw/zinc/83/12/45/433831245.db2.gz KCSPCRKOKLIUSB-GJZGRUSLSA-N 2 1 307.507 3.163 20 0 DGADMP Clc1sc(C[NH2+]C2CC[NH2+]CC2)cc1Br ZINC000414787630 433833647 /nfs/dbraw/zinc/83/36/47/433833647.db2.gz ZODBVSIQKIZDEB-UHFFFAOYSA-N 2 1 309.660 3.006 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC12CCOCC2 ZINC000414785301 433836160 /nfs/dbraw/zinc/83/61/60/433836160.db2.gz JOXZFCOGXVBDGK-OAHLLOKOSA-N 2 1 316.470 3.089 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCC(C)C ZINC000414792108 433841038 /nfs/dbraw/zinc/84/10/38/433841038.db2.gz IOXSGBDMYUAHOK-MRXNPFEDSA-N 2 1 308.466 3.193 20 0 DGADMP CCOc1cc(C[NH2+]CC([NH3+])(CC)CC)cc(Cl)c1OC ZINC000414796061 433841265 /nfs/dbraw/zinc/84/12/65/433841265.db2.gz BQDFZXWBRLIFBI-UHFFFAOYSA-N 2 1 314.857 3.354 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044828 433843905 /nfs/dbraw/zinc/84/39/05/433843905.db2.gz XORRYXFXEIVKDJ-HNNXBMFYSA-N 2 1 311.901 3.216 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164027 433851004 /nfs/dbraw/zinc/85/10/04/433851004.db2.gz FCXSWYATYGHIMN-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164027 433851014 /nfs/dbraw/zinc/85/10/14/433851014.db2.gz FCXSWYATYGHIMN-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414810669 433852570 /nfs/dbraw/zinc/85/25/70/433852570.db2.gz VPKFYSDTKBWUFT-DGCLKSJQSA-N 2 1 307.488 3.479 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414809594 433855767 /nfs/dbraw/zinc/85/57/67/433855767.db2.gz VQSQTBXNWURAFI-UHFFFAOYSA-N 2 1 320.868 3.348 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335659 433857078 /nfs/dbraw/zinc/85/70/78/433857078.db2.gz HRDZLEMAHDXHNH-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335659 433857085 /nfs/dbraw/zinc/85/70/85/433857085.db2.gz HRDZLEMAHDXHNH-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335659 433857091 /nfs/dbraw/zinc/85/70/91/433857091.db2.gz HRDZLEMAHDXHNH-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335659 433857100 /nfs/dbraw/zinc/85/71/00/433857100.db2.gz HRDZLEMAHDXHNH-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000414814989 433857461 /nfs/dbraw/zinc/85/74/61/433857461.db2.gz ZRVJQSDFVIDHGD-KCITZHQASA-N 3 1 307.526 3.137 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414818557 433859839 /nfs/dbraw/zinc/85/98/39/433859839.db2.gz WCKFMUQYPCOBIL-DOMZBBRYSA-N 2 1 311.857 3.164 20 0 DGADMP CCCCc1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357090732 433860133 /nfs/dbraw/zinc/86/01/33/433860133.db2.gz RVIGHXICLGTANU-HNNXBMFYSA-N 2 1 307.507 3.307 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414823063 433863365 /nfs/dbraw/zinc/86/33/65/433863365.db2.gz AQHQJERMKXFMIT-GHMZBOCLSA-N 2 1 315.230 3.066 20 0 DGADMP Cc1noc(C2CCC([NH2+]C[C@@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC000377396564 433868874 /nfs/dbraw/zinc/86/88/74/433868874.db2.gz ZYJVAKXIBSMJLB-JCYILVPMSA-N 2 1 320.481 3.114 20 0 DGADMP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414834542 433871126 /nfs/dbraw/zinc/87/11/26/433871126.db2.gz SOBXQRBVJIPKIT-SNVBAGLBSA-N 2 1 303.233 3.091 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C2 ZINC000414834628 433872597 /nfs/dbraw/zinc/87/25/97/433872597.db2.gz GTQNOBFJAMRUNR-FUHWJXTLSA-N 2 1 302.462 3.050 20 0 DGADMP Clc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1Br ZINC000414898443 433903830 /nfs/dbraw/zinc/90/38/30/433903830.db2.gz AHXFOGNGKJYLIV-LLVKDONJSA-N 2 1 317.658 3.334 20 0 DGADMP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414908759 433907452 /nfs/dbraw/zinc/90/74/52/433907452.db2.gz CVVIMBLHRCSIFR-GFCCVEGCSA-N 2 1 317.658 3.334 20 0 DGADMP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905032 433908360 /nfs/dbraw/zinc/90/83/60/433908360.db2.gz LAOWRPWJBZIAJG-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414905032 433908368 /nfs/dbraw/zinc/90/83/68/433908368.db2.gz LAOWRPWJBZIAJG-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414905032 433908378 /nfs/dbraw/zinc/90/83/78/433908378.db2.gz LAOWRPWJBZIAJG-MISYRCLQSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905032 433908387 /nfs/dbraw/zinc/90/83/87/433908387.db2.gz LAOWRPWJBZIAJG-MISYRCLQSA-N 3 1 315.505 3.019 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000377544349 433909848 /nfs/dbraw/zinc/90/98/48/433909848.db2.gz UPXRVVOMJMYPIY-RFSCMCKOSA-N 2 1 306.400 3.285 20 0 DGADMP Cc1cc(Br)c(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000414904121 433910790 /nfs/dbraw/zinc/91/07/90/433910790.db2.gz LHWPXGCKWRFEST-SNVBAGLBSA-N 2 1 303.269 3.051 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CCC[NH2+]C1 ZINC000414915214 433913754 /nfs/dbraw/zinc/91/37/54/433913754.db2.gz ZCKFJIQOKXONSC-OAHLLOKOSA-N 2 1 307.488 3.351 20 0 DGADMP CSC[C@@H]1CCC[NH+]1CC(C)C[N@@H+]1CCC[C@H]1CSC ZINC000362950901 433922197 /nfs/dbraw/zinc/92/21/97/433922197.db2.gz ITENECKGETWPEP-HOTGVXAUSA-N 2 1 316.580 3.277 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1SC ZINC000422563866 433923625 /nfs/dbraw/zinc/92/36/25/433923625.db2.gz UQAZOTFIPFTMKD-YDHLFZDLSA-N 2 1 308.491 3.222 20 0 DGADMP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297617 433934083 /nfs/dbraw/zinc/93/40/83/433934083.db2.gz XWNPZSNFNXYAQN-MKXGPGLRSA-N 2 1 318.505 3.331 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000422695043 433934519 /nfs/dbraw/zinc/93/45/19/433934519.db2.gz OXOLXQSHHMMVQL-RWMBFGLXSA-N 2 1 311.267 3.488 20 0 DGADMP Clc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414841179 433879964 /nfs/dbraw/zinc/87/99/64/433879964.db2.gz YXVPZEZAESOPSZ-SNVBAGLBSA-N 2 1 317.658 3.192 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422635175 433934548 /nfs/dbraw/zinc/93/45/48/433934548.db2.gz LBJJWKLYUBOOCP-ZQIUZPCESA-N 2 1 313.445 3.455 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422635175 433934552 /nfs/dbraw/zinc/93/45/52/433934552.db2.gz LBJJWKLYUBOOCP-ZQIUZPCESA-N 2 1 313.445 3.455 20 0 DGADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000414852304 433882586 /nfs/dbraw/zinc/88/25/86/433882586.db2.gz QTBMFSOBDACNHS-LJQANCHMSA-N 2 1 301.478 3.153 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414854796 433886529 /nfs/dbraw/zinc/88/65/29/433886529.db2.gz VNKWXCFXUZQWLH-CYBMUJFWSA-N 2 1 304.356 3.091 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(C(=O)OC)cc2)C1 ZINC000293842809 433890246 /nfs/dbraw/zinc/89/02/46/433890246.db2.gz SYRBFWPCWWQFEP-MAUKXSAKSA-N 2 1 318.461 3.246 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000352151259 433941784 /nfs/dbraw/zinc/94/17/84/433941784.db2.gz PIVQDPZALSWTEG-ABPVARSCSA-N 2 1 302.462 3.168 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414965573 433946189 /nfs/dbraw/zinc/94/61/89/433946189.db2.gz NKZNBSZPGZJHRN-RLLQIKCJSA-N 3 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414965573 433946197 /nfs/dbraw/zinc/94/61/97/433946197.db2.gz NKZNBSZPGZJHRN-RLLQIKCJSA-N 3 1 315.505 3.161 20 0 DGADMP CN(C)c1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422720074 433951300 /nfs/dbraw/zinc/95/13/00/433951300.db2.gz SBGWULJYOYWLOH-AZUAARDMSA-N 2 1 309.457 3.336 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414982123 433951881 /nfs/dbraw/zinc/95/18/81/433951881.db2.gz YKUFAAYFQWCHEH-ZDUSSCGKSA-N 2 1 315.230 3.066 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000414980486 433953614 /nfs/dbraw/zinc/95/36/14/433953614.db2.gz ACTHUIKMDHPNQA-OAHLLOKOSA-N 2 1 300.402 3.314 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000422728686 433955641 /nfs/dbraw/zinc/95/56/41/433955641.db2.gz GOLDXHVIQMILPH-QRVBRYPASA-N 2 1 303.494 3.101 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(C(=O)OC)cc1 ZINC000340173235 433956155 /nfs/dbraw/zinc/95/61/55/433956155.db2.gz FHDHCDMGIHZCFL-QGZVFWFLSA-N 2 1 306.450 3.244 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C(=O)OC)cc1 ZINC000340173235 433956162 /nfs/dbraw/zinc/95/61/62/433956162.db2.gz FHDHCDMGIHZCFL-QGZVFWFLSA-N 2 1 306.450 3.244 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414987202 433957809 /nfs/dbraw/zinc/95/78/09/433957809.db2.gz DJANLCUVZRYQRR-MOPGFXCFSA-N 3 1 317.521 3.252 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414987202 433957819 /nfs/dbraw/zinc/95/78/19/433957819.db2.gz DJANLCUVZRYQRR-MOPGFXCFSA-N 2 1 317.521 3.252 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000422777340 433992548 /nfs/dbraw/zinc/99/25/48/433992548.db2.gz FIZBDVDRDLREJZ-SNVBAGLBSA-N 2 1 307.800 3.492 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000422737735 433962190 /nfs/dbraw/zinc/96/21/90/433962190.db2.gz HQSCVNWQROEILD-VCBZYWHSSA-N 2 1 318.509 3.010 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000422737725 433963507 /nfs/dbraw/zinc/96/35/07/433963507.db2.gz XUWOQUMNODRKQG-AYOQOUSVSA-N 2 1 321.484 3.329 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000340183748 433963777 /nfs/dbraw/zinc/96/37/77/433963777.db2.gz BPZJOQUEYQGEIT-FJIDUMEYSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000340183748 433963789 /nfs/dbraw/zinc/96/37/89/433963789.db2.gz BPZJOQUEYQGEIT-FJIDUMEYSA-N 2 1 322.493 3.105 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414997804 433966843 /nfs/dbraw/zinc/96/68/43/433966843.db2.gz HXBFMQYWTWQVJT-GFCCVEGCSA-N 2 1 318.795 3.073 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000340186334 433969213 /nfs/dbraw/zinc/96/92/13/433969213.db2.gz ILLHYHPYESWLRH-MRXNPFEDSA-N 2 1 304.478 3.363 20 0 DGADMP COc1ccc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000378290702 293773751 /nfs/dbraw/zinc/77/37/51/293773751.db2.gz HESZHBNYFKSUOB-UHFFFAOYSA-N 2 1 313.445 3.470 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751028 433971867 /nfs/dbraw/zinc/97/18/67/433971867.db2.gz BVHUUMVRVIHIBD-LMMKCTJWSA-N 2 1 317.521 3.045 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC[NH2+]2)cc1 ZINC000415090892 433972573 /nfs/dbraw/zinc/97/25/73/433972573.db2.gz PPQALKIQVDTLHP-QQXKLLMISA-N 2 1 300.446 3.027 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340191424 433972958 /nfs/dbraw/zinc/97/29/58/433972958.db2.gz PONMRPAHXBONSD-OALUTQOASA-N 2 1 312.461 3.007 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751027 433974206 /nfs/dbraw/zinc/97/42/06/433974206.db2.gz BVHUUMVRVIHIBD-AOIWGVFYSA-N 2 1 317.521 3.045 20 0 DGADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191401 433974970 /nfs/dbraw/zinc/97/49/70/433974970.db2.gz OGIFORMUVVMSHR-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191401 433974980 /nfs/dbraw/zinc/97/49/80/433974980.db2.gz OGIFORMUVVMSHR-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000415122587 433976206 /nfs/dbraw/zinc/97/62/06/433976206.db2.gz OIIDXDGSFUSOPK-RKVPGOIHSA-N 2 1 312.461 3.098 20 0 DGADMP CC[C@@H]1C[NH+](C/C=C/C[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000340195672 433980773 /nfs/dbraw/zinc/98/07/73/433980773.db2.gz CIJXUUVGQMCWFY-AXHPFZFWSA-N 2 1 314.564 3.197 20 0 DGADMP CC[C@@H]1C[N@H+](C/C=C/C[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000340195672 433980786 /nfs/dbraw/zinc/98/07/86/433980786.db2.gz CIJXUUVGQMCWFY-AXHPFZFWSA-N 2 1 314.564 3.197 20 0 DGADMP CC[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000340195672 433980796 /nfs/dbraw/zinc/98/07/96/433980796.db2.gz CIJXUUVGQMCWFY-AXHPFZFWSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422766492 433983256 /nfs/dbraw/zinc/98/32/56/433983256.db2.gz QDQAIBAXQBJTCK-IRXDYDNUSA-N 3 1 303.494 3.367 20 0 DGADMP C[C@@H]([NH2+]CCSCc1ccccc1F)c1c[nH+]ccc1N ZINC000422774696 433990239 /nfs/dbraw/zinc/99/02/39/433990239.db2.gz YDNQQZZJMDOXFB-GFCCVEGCSA-N 2 1 305.422 3.217 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294084190 433991921 /nfs/dbraw/zinc/99/19/21/433991921.db2.gz RFIQCSDOJYWROL-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C[NH3+] ZINC000422640439 433936324 /nfs/dbraw/zinc/93/63/24/433936324.db2.gz VOKSIHOVWYUFJY-NFAWXSAZSA-N 2 1 317.408 3.286 20 0 DGADMP CN(Cc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285406755 433937559 /nfs/dbraw/zinc/93/75/59/433937559.db2.gz FPQFFXSDOPXUPP-PBWFPOADSA-N 2 1 301.459 3.353 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C2CC2)c1 ZINC000340238912 434006134 /nfs/dbraw/zinc/00/61/34/434006134.db2.gz LLXIIKZESADUTI-OXQOHEQNSA-N 2 1 316.489 3.452 20 0 DGADMP O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305129458 434046538 /nfs/dbraw/zinc/04/65/38/434046538.db2.gz MLJKSQSKFCXNAI-VQTJNVASSA-N 2 1 314.473 3.031 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)oc21 ZINC000422810452 434018833 /nfs/dbraw/zinc/01/88/33/434018833.db2.gz UFCBSBRZODWJCE-SQPSOYEMSA-N 2 1 300.402 3.375 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422806692 434019025 /nfs/dbraw/zinc/01/90/25/434019025.db2.gz LANVNADORMWOHP-AITUJVMLSA-N 2 1 302.462 3.050 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340262024 434018945 /nfs/dbraw/zinc/01/89/45/434018945.db2.gz UQAOECIICWUCEQ-OALUTQOASA-N 2 1 324.472 3.309 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340262024 434018952 /nfs/dbraw/zinc/01/89/52/434018952.db2.gz UQAOECIICWUCEQ-OALUTQOASA-N 2 1 324.472 3.309 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@@H]1c1cccs1 ZINC000340262676 434020956 /nfs/dbraw/zinc/02/09/56/434020956.db2.gz ZTFHCPYEVXUPJK-FVQBIDKESA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@@H]1c1cccs1 ZINC000340262676 434020964 /nfs/dbraw/zinc/02/09/64/434020964.db2.gz ZTFHCPYEVXUPJK-FVQBIDKESA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000422808974 434021589 /nfs/dbraw/zinc/02/15/89/434021589.db2.gz LPLVNJRJOGETDQ-GBESFXJTSA-N 2 1 302.462 3.275 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3Cc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422808195 434022726 /nfs/dbraw/zinc/02/27/26/434022726.db2.gz NSNZAFJOMKREPI-OTWHNJEPSA-N 2 1 308.425 3.073 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000340283555 434033849 /nfs/dbraw/zinc/03/38/49/434033849.db2.gz LQMUCTVHLLPBLY-UXHICEINSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000340283555 434033854 /nfs/dbraw/zinc/03/38/54/434033854.db2.gz LQMUCTVHLLPBLY-UXHICEINSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000340283555 434033867 /nfs/dbraw/zinc/03/38/67/434033867.db2.gz LQMUCTVHLLPBLY-UXHICEINSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000340283555 434033873 /nfs/dbraw/zinc/03/38/73/434033873.db2.gz LQMUCTVHLLPBLY-UXHICEINSA-N 2 1 315.505 3.238 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377912834 434034108 /nfs/dbraw/zinc/03/41/08/434034108.db2.gz OSPVMTYXFJBJSD-AZUAARDMSA-N 2 1 315.505 3.156 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3(C)CCC3)CC2)C[C@H](C)O1 ZINC000340280114 434036344 /nfs/dbraw/zinc/03/63/44/434036344.db2.gz SPNJFJYUZWUEOG-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)CC[NH+]1CCC(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422838674 434038625 /nfs/dbraw/zinc/03/86/25/434038625.db2.gz OWBYQXBGNKBSSS-PMACEKPBSA-N 2 1 315.505 3.479 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422838674 434038637 /nfs/dbraw/zinc/03/86/37/434038637.db2.gz OWBYQXBGNKBSSS-PMACEKPBSA-N 2 1 315.505 3.479 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000422840413 434044680 /nfs/dbraw/zinc/04/46/80/434044680.db2.gz SUUHENGGKOZDSK-VAMGGRTRSA-N 3 1 319.537 3.294 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340299603 434045487 /nfs/dbraw/zinc/04/54/87/434045487.db2.gz HGBSUTZLZUHOIS-SZMVWBNQSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340299603 434045497 /nfs/dbraw/zinc/04/54/97/434045497.db2.gz HGBSUTZLZUHOIS-SZMVWBNQSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422778539 433993860 /nfs/dbraw/zinc/99/38/60/433993860.db2.gz HQMDDHMHTOEREP-WFASDCNBSA-N 2 1 323.278 3.068 20 0 DGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422778537 433995799 /nfs/dbraw/zinc/99/57/99/433995799.db2.gz HQMDDHMHTOEREP-SWLSCSKDSA-N 2 1 323.278 3.068 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc(Cl)c2)s1 ZINC000352240188 433995996 /nfs/dbraw/zinc/99/59/96/433995996.db2.gz FBENRGBMEXKMKL-UHFFFAOYSA-N 2 1 309.866 3.190 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352245330 434000675 /nfs/dbraw/zinc/00/06/75/434000675.db2.gz GXDZBOPJYXUCQR-CQSZACIVSA-N 2 1 303.475 3.316 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340235475 434001603 /nfs/dbraw/zinc/00/16/03/434001603.db2.gz GDXUAXAPYUMENN-HKUYNNGSSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340235475 434001614 /nfs/dbraw/zinc/00/16/14/434001614.db2.gz GDXUAXAPYUMENN-HKUYNNGSSA-N 2 1 313.445 3.259 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340230405 434002451 /nfs/dbraw/zinc/00/24/51/434002451.db2.gz HXVFMIWGRPKDCQ-UHOSZYNNSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861187 434062200 /nfs/dbraw/zinc/06/22/00/434062200.db2.gz MMZLVKXYWYMKLZ-QKLQHJQFSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422868817 434065107 /nfs/dbraw/zinc/06/51/07/434065107.db2.gz WEVFABLDKYQSHN-IAGOWNOFSA-N 3 1 303.494 3.136 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422869746 434066386 /nfs/dbraw/zinc/06/63/86/434066386.db2.gz XWTYLLAUCIPSFH-BBWFWOEESA-N 3 1 303.494 3.276 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422874419 434073561 /nfs/dbraw/zinc/07/35/61/434073561.db2.gz CUPXXPMDCZGRHP-IRXDYDNUSA-N 3 1 303.494 3.278 20 0 DGADMP Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3c[nH+]ccc3N)co2)cc1 ZINC000422879840 434077234 /nfs/dbraw/zinc/07/72/34/434077234.db2.gz MVLWRNXGAPSJRT-CQSZACIVSA-N 2 1 322.412 3.351 20 0 DGADMP CC[C@H]([NH2+]CCc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422880588 434078284 /nfs/dbraw/zinc/07/82/84/434078284.db2.gz OPXHKVMJSIBCMS-ROUUACIJSA-N 2 1 313.445 3.313 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422883999 434082050 /nfs/dbraw/zinc/08/20/50/434082050.db2.gz RCMYRLUYAAGQCE-YESZJQIVSA-N 3 1 303.494 3.276 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886538 434082716 /nfs/dbraw/zinc/08/27/16/434082716.db2.gz WWCHUCZFSMJBIC-IVDHNXQLSA-N 3 1 321.553 3.255 20 0 DGADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)cc1 ZINC000422890301 434086047 /nfs/dbraw/zinc/08/60/47/434086047.db2.gz RQQIAIKVWJLVFQ-OAHLLOKOSA-N 2 1 315.392 3.245 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1O ZINC000353379998 434089811 /nfs/dbraw/zinc/08/98/11/434089811.db2.gz ASABQFMLVBHVMJ-JYJNAYRXSA-N 2 1 320.477 3.419 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340380279 434096144 /nfs/dbraw/zinc/09/61/44/434096144.db2.gz KBOWPBMMAFKNCA-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340380279 434096152 /nfs/dbraw/zinc/09/61/52/434096152.db2.gz KBOWPBMMAFKNCA-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353385016 434098499 /nfs/dbraw/zinc/09/84/99/434098499.db2.gz IQXASHWTINJEIQ-RYRKJORJSA-N 2 1 311.429 3.304 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353385016 434098508 /nfs/dbraw/zinc/09/85/08/434098508.db2.gz IQXASHWTINJEIQ-RYRKJORJSA-N 2 1 311.429 3.304 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422850268 434050542 /nfs/dbraw/zinc/05/05/42/434050542.db2.gz VUPXJIIEHBHDMR-MSOLQXFVSA-N 2 1 316.424 3.069 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000340307358 434051719 /nfs/dbraw/zinc/05/17/19/434051719.db2.gz WHWOSAUDASFVNZ-POZUXBRTSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000340307358 434051726 /nfs/dbraw/zinc/05/17/26/434051726.db2.gz WHWOSAUDASFVNZ-POZUXBRTSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000340307358 434051736 /nfs/dbraw/zinc/05/17/36/434051736.db2.gz WHWOSAUDASFVNZ-POZUXBRTSA-N 2 1 312.461 3.074 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340307122 434051921 /nfs/dbraw/zinc/05/19/21/434051921.db2.gz NDABSPHEINBHPQ-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340307122 434051928 /nfs/dbraw/zinc/05/19/28/434051928.db2.gz NDABSPHEINBHPQ-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422855102 434054910 /nfs/dbraw/zinc/05/49/10/434054910.db2.gz DMKIJUQGJFOZQR-SJORKVTESA-N 3 1 303.494 3.278 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422855443 434057300 /nfs/dbraw/zinc/05/73/00/434057300.db2.gz DXKIEGQOXNFICR-UXPWSPDFSA-N 3 1 315.505 3.136 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422856564 434057603 /nfs/dbraw/zinc/05/76/03/434057603.db2.gz GIRBJZRBAYIPMC-IKGGRYGDSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422910134 434102581 /nfs/dbraw/zinc/10/25/81/434102581.db2.gz HHFKPEWGTVWDFZ-DZGCQCFKSA-N 2 1 307.507 3.321 20 0 DGADMP CN(C)c1cccnc1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397814 434106031 /nfs/dbraw/zinc/10/60/31/434106031.db2.gz VYNXEMOSPPHEKC-FXAWDEMLSA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1cccnc1C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340397814 434106037 /nfs/dbraw/zinc/10/60/37/434106037.db2.gz VYNXEMOSPPHEKC-FXAWDEMLSA-N 2 1 324.472 3.073 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000346096878 434114414 /nfs/dbraw/zinc/11/44/14/434114414.db2.gz RJWBLPPTXSNBKF-CYBMUJFWSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000346096878 434114424 /nfs/dbraw/zinc/11/44/24/434114424.db2.gz RJWBLPPTXSNBKF-CYBMUJFWSA-N 2 1 316.367 3.288 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000422929278 434116242 /nfs/dbraw/zinc/11/62/42/434116242.db2.gz PBPISSCOTWQKSS-RYQLBKOJSA-N 2 1 306.425 3.235 20 0 DGADMP COC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499243616 294081324 /nfs/dbraw/zinc/08/13/24/294081324.db2.gz KDLZJDUKHIONBX-BCDXTJNWSA-N 2 1 302.462 3.197 20 0 DGADMP Clc1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312866 294106751 /nfs/dbraw/zinc/10/67/51/294106751.db2.gz XLUDOIVXWYMZDT-CJNGLKHVSA-N 2 1 310.894 3.430 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000341869763 294107014 /nfs/dbraw/zinc/10/70/14/294107014.db2.gz ABGPRKOCHXTISF-MHORFTMASA-N 2 1 320.864 3.386 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000502868575 294177973 /nfs/dbraw/zinc/17/79/73/294177973.db2.gz IXWKVYJYYIHCQJ-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000502868575 294177975 /nfs/dbraw/zinc/17/79/75/294177975.db2.gz IXWKVYJYYIHCQJ-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000502868575 294177977 /nfs/dbraw/zinc/17/79/77/294177977.db2.gz IXWKVYJYYIHCQJ-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCOC1 ZINC000507485119 294300568 /nfs/dbraw/zinc/30/05/68/294300568.db2.gz KTWNJPCKQVNANH-YTQUADARSA-N 2 1 308.510 3.436 20 0 DGADMP COC1(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340442424 434130524 /nfs/dbraw/zinc/13/05/24/434130524.db2.gz AKJXWXPLEBWDFG-ZWKOTPCHSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340442424 434130539 /nfs/dbraw/zinc/13/05/39/434130539.db2.gz AKJXWXPLEBWDFG-ZWKOTPCHSA-N 2 1 302.462 3.371 20 0 DGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000509936462 294369347 /nfs/dbraw/zinc/36/93/47/294369347.db2.gz CBJNDCLRIXJJLJ-ROUUACIJSA-N 2 1 323.525 3.066 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2O1 ZINC000363832615 434165227 /nfs/dbraw/zinc/16/52/27/434165227.db2.gz XBLDPAVWIIODOY-SJORKVTESA-N 2 1 316.445 3.048 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2O1 ZINC000363832615 434165231 /nfs/dbraw/zinc/16/52/31/434165231.db2.gz XBLDPAVWIIODOY-SJORKVTESA-N 2 1 316.445 3.048 20 0 DGADMP C[C@@H]([NH2+]CCCOc1cccc2cccnc21)[C@H]1CCCC[NH2+]1 ZINC000422952232 434132573 /nfs/dbraw/zinc/13/25/73/434132573.db2.gz ANBMJKLGIXHAPZ-NVXWUHKLSA-N 2 1 313.445 3.124 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450231 434139909 /nfs/dbraw/zinc/13/99/09/434139909.db2.gz PWHMFFBABBCFSM-JCGIZDLHSA-N 2 1 311.429 3.273 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450231 434139917 /nfs/dbraw/zinc/13/99/17/434139917.db2.gz PWHMFFBABBCFSM-JCGIZDLHSA-N 2 1 311.429 3.273 20 0 DGADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422973505 434148034 /nfs/dbraw/zinc/14/80/34/434148034.db2.gz BZBZAAJEJYIZOR-MNEFBYGVSA-N 2 1 308.425 3.462 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000423002724 434163532 /nfs/dbraw/zinc/16/35/32/434163532.db2.gz ZJPSIXMSRJNJTP-MAUKXSAKSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1CC(C)C ZINC000423002724 434163545 /nfs/dbraw/zinc/16/35/45/434163545.db2.gz ZJPSIXMSRJNJTP-MAUKXSAKSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCC2 ZINC000423003110 434163951 /nfs/dbraw/zinc/16/39/51/434163951.db2.gz GZEUETMTUGSENN-GBESFXJTSA-N 2 1 324.472 3.152 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423008887 434164481 /nfs/dbraw/zinc/16/44/81/434164481.db2.gz URHLWUCLSLOPED-HOTGVXAUSA-N 3 1 315.461 3.127 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423008887 434164491 /nfs/dbraw/zinc/16/44/91/434164491.db2.gz URHLWUCLSLOPED-HOTGVXAUSA-N 2 1 315.461 3.127 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000423023167 434174087 /nfs/dbraw/zinc/17/40/87/434174087.db2.gz JGEOVYKXIBADEX-KZNAEPCWSA-N 2 1 308.510 3.340 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353494144 434174878 /nfs/dbraw/zinc/17/48/78/434174878.db2.gz YERODYNZVPVZOY-BBWFWOEESA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353494144 434174890 /nfs/dbraw/zinc/17/48/90/434174890.db2.gz YERODYNZVPVZOY-BBWFWOEESA-N 2 1 306.498 3.156 20 0 DGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000295075874 434183927 /nfs/dbraw/zinc/18/39/27/434183927.db2.gz RKMXLMHERDOVIQ-GOOCMWNKSA-N 2 1 323.278 3.472 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOCC2CC2)CC1 ZINC000286176396 434189711 /nfs/dbraw/zinc/18/97/11/434189711.db2.gz QPEDCCVYVUSNRQ-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP CCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450452573 434195772 /nfs/dbraw/zinc/19/57/72/434195772.db2.gz KBYWNFKTBGMYAT-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450452573 434195782 /nfs/dbraw/zinc/19/57/82/434195782.db2.gz KBYWNFKTBGMYAT-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450452573 434195789 /nfs/dbraw/zinc/19/57/89/434195789.db2.gz KBYWNFKTBGMYAT-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000353531803 434201344 /nfs/dbraw/zinc/20/13/44/434201344.db2.gz PIAUXEBPODVNQT-VBQJREDUSA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1OC ZINC000353531803 434201353 /nfs/dbraw/zinc/20/13/53/434201353.db2.gz PIAUXEBPODVNQT-VBQJREDUSA-N 2 1 320.477 3.016 20 0 DGADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423072297 434202072 /nfs/dbraw/zinc/20/20/72/434202072.db2.gz IZRKIQSQDVFYIZ-XUVXKRRUSA-N 2 1 314.473 3.201 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000423085341 434209280 /nfs/dbraw/zinc/20/92/80/434209280.db2.gz KGFNMLGQWFFUAV-QRWLVFNGSA-N 2 1 305.425 3.283 20 0 DGADMP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092450 434213200 /nfs/dbraw/zinc/21/32/00/434213200.db2.gz BXYHTGPZTWDCAY-FUMNGEBKSA-N 2 1 319.537 3.294 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1c[nH+]ccc1N ZINC000423092571 434213980 /nfs/dbraw/zinc/21/39/80/434213980.db2.gz CKHGOBKXMNTBHT-IXPVHAAZSA-N 2 1 303.356 3.369 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423088794 434214179 /nfs/dbraw/zinc/21/41/79/434214179.db2.gz SVZDHTHPYOHOQB-QYZOEREBSA-N 2 1 315.505 3.190 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000320534150 434241878 /nfs/dbraw/zinc/24/18/78/434241878.db2.gz OBONHGQGWZSUIQ-ZFWWWQNUSA-N 2 1 322.415 3.341 20 0 DGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000353579357 434242368 /nfs/dbraw/zinc/24/23/68/434242368.db2.gz USOPNCFQKNTDHL-WBVHZDCISA-N 2 1 322.493 3.343 20 0 DGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000353579357 434242378 /nfs/dbraw/zinc/24/23/78/434242378.db2.gz USOPNCFQKNTDHL-WBVHZDCISA-N 2 1 322.493 3.343 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000321112771 434244917 /nfs/dbraw/zinc/24/49/17/434244917.db2.gz ZIZWBGZCIYVIAC-CVEARBPZSA-N 2 1 320.477 3.476 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000353580110 434247649 /nfs/dbraw/zinc/24/76/49/434247649.db2.gz HKIDVXNOMLZESE-QQFBHYJXSA-N 2 1 312.498 3.205 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000353580110 434247654 /nfs/dbraw/zinc/24/76/54/434247654.db2.gz HKIDVXNOMLZESE-QQFBHYJXSA-N 2 1 312.498 3.205 20 0 DGADMP C[N@H+]1CCC[C@]2(CCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC000450544888 434255006 /nfs/dbraw/zinc/25/50/06/434255006.db2.gz SFFDSNBJILIILW-IBGZPJMESA-N 2 1 321.428 3.033 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)O1 ZINC000379628946 434256699 /nfs/dbraw/zinc/25/66/99/434256699.db2.gz JGFMGYZYJGZBSP-PSBWJHGTSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)O1 ZINC000379628946 434256706 /nfs/dbraw/zinc/25/67/06/434256706.db2.gz JGFMGYZYJGZBSP-PSBWJHGTSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H](CCN[C@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625166 434257534 /nfs/dbraw/zinc/25/75/34/434257534.db2.gz FLJPYEQRJFOJSD-NEWSRXKRSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379625166 434257544 /nfs/dbraw/zinc/25/75/44/434257544.db2.gz FLJPYEQRJFOJSD-NEWSRXKRSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625166 434257552 /nfs/dbraw/zinc/25/75/52/434257552.db2.gz FLJPYEQRJFOJSD-NEWSRXKRSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643887 434261823 /nfs/dbraw/zinc/26/18/23/434261823.db2.gz BNQXXKRUHCWPQL-NUJGCVRESA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643887 434261829 /nfs/dbraw/zinc/26/18/29/434261829.db2.gz BNQXXKRUHCWPQL-NUJGCVRESA-N 2 1 304.478 3.179 20 0 DGADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)C[C@H]1c1ccccc1 ZINC000423181749 434265022 /nfs/dbraw/zinc/26/50/22/434265022.db2.gz PKWCTEXZUSDKGJ-ROUUACIJSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@@H](NCC1([NH3+])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423188384 434273851 /nfs/dbraw/zinc/27/38/51/434273851.db2.gz YWEVHMUSIRFFIT-MJGOQNOKSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)C1C[NH2+]C1 ZINC000423105440 434225017 /nfs/dbraw/zinc/22/50/17/434225017.db2.gz NHSXMTVBWMUWJD-JTQLQIEISA-N 2 1 307.850 3.161 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111308 434225249 /nfs/dbraw/zinc/22/52/49/434225249.db2.gz ISHBJZWGTMKUQW-JZXOWHBKSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423111308 434225256 /nfs/dbraw/zinc/22/52/56/434225256.db2.gz ISHBJZWGTMKUQW-JZXOWHBKSA-N 2 1 303.494 3.003 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423106051 434225607 /nfs/dbraw/zinc/22/56/07/434225607.db2.gz JHNWMOFVHCOZCN-AIHBUXEESA-N 2 1 302.462 3.068 20 0 DGADMP COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499628 434231417 /nfs/dbraw/zinc/23/14/17/434231417.db2.gz JHQFXRPWUKQNHE-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000423123961 434232001 /nfs/dbraw/zinc/23/20/01/434232001.db2.gz NSODBQNISLGRIQ-AOIWGVFYSA-N 2 1 308.425 3.246 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000320263200 434235777 /nfs/dbraw/zinc/23/57/77/434235777.db2.gz RUJCLSRYOWJBJX-WBVHZDCISA-N 2 1 318.461 3.056 20 0 DGADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423128008 434237649 /nfs/dbraw/zinc/23/76/49/434237649.db2.gz CUNPSDCZFJIOEZ-GVDBMIGSSA-N 2 1 324.415 3.045 20 0 DGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423127898 434239388 /nfs/dbraw/zinc/23/93/88/434239388.db2.gz PXZKFBOWYXFWCL-OQPBUACISA-N 2 1 308.294 3.201 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423199677 434282262 /nfs/dbraw/zinc/28/22/62/434282262.db2.gz KMBQYTLTLBODGK-OAHLLOKOSA-N 2 1 300.450 3.058 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358009192 434282569 /nfs/dbraw/zinc/28/25/69/434282569.db2.gz CPQHEQLKIFQKGS-HDMKZQKVSA-N 2 1 317.477 3.101 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358009192 434282580 /nfs/dbraw/zinc/28/25/80/434282580.db2.gz CPQHEQLKIFQKGS-HDMKZQKVSA-N 2 1 317.477 3.101 20 0 DGADMP OCCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000450593548 434285907 /nfs/dbraw/zinc/28/59/07/434285907.db2.gz IZNJHWCDTBFROT-AWEZNQCLSA-N 2 1 319.836 3.147 20 0 DGADMP OCCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000450593548 434285918 /nfs/dbraw/zinc/28/59/18/434285918.db2.gz IZNJHWCDTBFROT-AWEZNQCLSA-N 2 1 319.836 3.147 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(Cl)cc1 ZINC000450604420 434288071 /nfs/dbraw/zinc/28/80/71/434288071.db2.gz WGDXIZKPBADMEG-KZNAEPCWSA-N 2 1 322.880 3.066 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423214371 434290865 /nfs/dbraw/zinc/29/08/65/434290865.db2.gz OUDHQEBDAYEMNV-WDEREUQCSA-N 2 1 315.230 3.238 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(Cl)c1)C1CC([NH3+])C1 ZINC000384876294 434296480 /nfs/dbraw/zinc/29/64/80/434296480.db2.gz PRBUHFKXFFCIFZ-UHFFFAOYSA-N 2 1 303.631 3.024 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C1CC([NH3+])C1 ZINC000384876294 434296491 /nfs/dbraw/zinc/29/64/91/434296491.db2.gz PRBUHFKXFFCIFZ-UHFFFAOYSA-N 2 1 303.631 3.024 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000437599042 434301887 /nfs/dbraw/zinc/30/18/87/434301887.db2.gz HJOXMBCLKCMLIH-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000340690844 434303890 /nfs/dbraw/zinc/30/38/90/434303890.db2.gz MUBPUPGOFRTJTF-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000340690844 434303899 /nfs/dbraw/zinc/30/38/99/434303899.db2.gz MUBPUPGOFRTJTF-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000353656641 434309904 /nfs/dbraw/zinc/30/99/04/434309904.db2.gz LSBIGQGDRMALIH-LJQANCHMSA-N 2 1 301.478 3.273 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000423253632 434313008 /nfs/dbraw/zinc/31/30/08/434313008.db2.gz ZFEYPQYBJRVXPM-GBESFXJTSA-N 2 1 301.478 3.026 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259302 434319929 /nfs/dbraw/zinc/31/99/29/434319929.db2.gz DKTYRZVAWQTZDL-RTBURBONSA-N 2 1 322.468 3.271 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287293803 434325575 /nfs/dbraw/zinc/32/55/75/434325575.db2.gz KFZLSDXZAIDMPM-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000287293803 434325582 /nfs/dbraw/zinc/32/55/82/434325582.db2.gz KFZLSDXZAIDMPM-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423269557 434328208 /nfs/dbraw/zinc/32/82/08/434328208.db2.gz HERWHSHLBMYSCH-ZBFHGGJFSA-N 2 1 314.477 3.304 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366224020 434362661 /nfs/dbraw/zinc/36/26/61/434362661.db2.gz VSQAEVVUSUZNLB-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)c2cccc(Br)c21 ZINC000423333548 434362753 /nfs/dbraw/zinc/36/27/53/434362753.db2.gz RWTNVWIWWXYCOG-GWCFXTLKSA-N 2 1 309.251 3.468 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390570387 434363148 /nfs/dbraw/zinc/36/31/48/434363148.db2.gz BIOJTGIBMPORHL-SJLPKXTDSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390570387 434363154 /nfs/dbraw/zinc/36/31/54/434363154.db2.gz BIOJTGIBMPORHL-SJLPKXTDSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCO1 ZINC000390575614 434363321 /nfs/dbraw/zinc/36/33/21/434363321.db2.gz CZRSWWJIDCRJDI-UHOSZYNNSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCO1 ZINC000390575614 434363328 /nfs/dbraw/zinc/36/33/28/434363328.db2.gz CZRSWWJIDCRJDI-UHOSZYNNSA-N 2 1 316.489 3.444 20 0 DGADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000390552008 434363755 /nfs/dbraw/zinc/36/37/55/434363755.db2.gz YHICZXUIKTVBOV-UIFIKXQLSA-N 2 1 321.468 3.385 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423327951 434364103 /nfs/dbraw/zinc/36/41/03/434364103.db2.gz RSYJYYJEVPBORM-BLLLJJGKSA-N 2 1 315.486 3.430 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722217 434367143 /nfs/dbraw/zinc/36/71/43/434367143.db2.gz KKQRVZBRQRPNBL-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722217 434367149 /nfs/dbraw/zinc/36/71/49/434367149.db2.gz KKQRVZBRQRPNBL-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423361220 434381028 /nfs/dbraw/zinc/38/10/28/434381028.db2.gz MHELYOCYELHAIW-OCCSQVGLSA-N 2 1 313.367 3.210 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423355245 434381774 /nfs/dbraw/zinc/38/17/74/434381774.db2.gz FBCMBZDVDWPYAA-VHSXEESVSA-N 2 1 303.269 3.303 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366300104 434382423 /nfs/dbraw/zinc/38/24/23/434382423.db2.gz QPLKLCBTVRYNAG-OALUTQOASA-N 2 1 315.505 3.156 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423366487 434383293 /nfs/dbraw/zinc/38/32/93/434383293.db2.gz LQMGSWDPCXNOGF-LHQJTOJGSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1sccc1Br ZINC000392278018 434384429 /nfs/dbraw/zinc/38/44/29/434384429.db2.gz DROCNKGVGWPMHP-SNVBAGLBSA-N 2 1 315.280 3.423 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccccc12 ZINC000391879398 434387015 /nfs/dbraw/zinc/38/70/15/434387015.db2.gz HIYDEEINLKTWKG-IYBDPMFKSA-N 2 1 310.441 3.280 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000518563402 294726134 /nfs/dbraw/zinc/72/61/34/294726134.db2.gz ZNOUNKBUPGNUDA-UHFFFAOYSA-N 2 1 308.510 3.316 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]CC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000437788199 434334904 /nfs/dbraw/zinc/33/49/04/434334904.db2.gz SREYXTFRORYIPN-MISYRCLQSA-N 2 1 316.489 3.303 20 0 DGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423280228 434338929 /nfs/dbraw/zinc/33/89/29/434338929.db2.gz SMYUZXQBVHABBX-CABCVRRESA-N 2 1 309.251 3.153 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423286366 434340717 /nfs/dbraw/zinc/34/07/17/434340717.db2.gz GVEVHBJUZALNOH-NSHDSACASA-N 2 1 316.392 3.465 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423280365 434341019 /nfs/dbraw/zinc/34/10/19/434341019.db2.gz TYEUXTBXLCNAMW-WMLDXEAASA-N 2 1 320.481 3.194 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150417 434346287 /nfs/dbraw/zinc/34/62/87/434346287.db2.gz DGIVFVRKEJQOHB-ZIAGYGMSSA-N 2 1 307.507 3.357 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287383398 434347395 /nfs/dbraw/zinc/34/73/95/434347395.db2.gz IIUFGMKGLXTOKS-FZCLSBEQSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287383398 434347401 /nfs/dbraw/zinc/34/74/01/434347401.db2.gz IIUFGMKGLXTOKS-FZCLSBEQSA-N 2 1 304.503 3.381 20 0 DGADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1F ZINC000423299447 434349395 /nfs/dbraw/zinc/34/93/95/434349395.db2.gz BSJKLEPUYCQQAB-ZMSDIMECSA-N 2 1 306.425 3.202 20 0 DGADMP Cc1nc(C)c(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000340773556 434349911 /nfs/dbraw/zinc/34/99/11/434349911.db2.gz IQHVQNYGHPEGIV-YJBOKZPZSA-N 2 1 310.445 3.477 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423310352 434356027 /nfs/dbraw/zinc/35/60/27/434356027.db2.gz ACRZLUBSDKJLMW-UONOGXRCSA-N 2 1 302.340 3.363 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)c(F)c1 ZINC000423324542 434357591 /nfs/dbraw/zinc/35/75/91/434357591.db2.gz KLOGZAVSTNNYJF-VIFPVBQESA-N 2 1 301.203 3.120 20 0 DGADMP CCn1cc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000287423283 434358297 /nfs/dbraw/zinc/35/82/97/434358297.db2.gz SLGHQJUQYRUWDL-FRQCXROJSA-N 2 1 312.461 3.217 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337729 434358582 /nfs/dbraw/zinc/35/85/82/434358582.db2.gz XJODQWYAAYWQCZ-VVLHAWIVSA-N 2 1 322.518 3.331 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337729 434358593 /nfs/dbraw/zinc/35/85/93/434358593.db2.gz XJODQWYAAYWQCZ-VVLHAWIVSA-N 2 1 322.518 3.331 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)CC[N@H+]1C ZINC000358163527 434360181 /nfs/dbraw/zinc/36/01/81/434360181.db2.gz ZRNZUWAEGIEXMZ-OLZOCXBDSA-N 2 1 322.403 3.046 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390570388 434360665 /nfs/dbraw/zinc/36/06/65/434360665.db2.gz BIOJTGIBMPORHL-WMZOPIPTSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390570388 434360672 /nfs/dbraw/zinc/36/06/72/434360672.db2.gz BIOJTGIBMPORHL-WMZOPIPTSA-N 3 1 303.494 3.004 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749724 434398250 /nfs/dbraw/zinc/39/82/50/434398250.db2.gz GMYVQDUVFPPYIC-UKRRQHHQSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749724 434398261 /nfs/dbraw/zinc/39/82/61/434398261.db2.gz GMYVQDUVFPPYIC-UKRRQHHQSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749724 434398271 /nfs/dbraw/zinc/39/82/71/434398271.db2.gz GMYVQDUVFPPYIC-UKRRQHHQSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749724 434398282 /nfs/dbraw/zinc/39/82/82/434398282.db2.gz GMYVQDUVFPPYIC-UKRRQHHQSA-N 2 1 318.490 3.443 20 0 DGADMP Cc1cc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000423399841 434400032 /nfs/dbraw/zinc/40/00/32/434400032.db2.gz VFGDGIYPYYLHSE-AOIWGVFYSA-N 2 1 313.420 3.478 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752284 434402933 /nfs/dbraw/zinc/40/29/33/434402933.db2.gz RWDKNXGFSDZOJE-YPMHNXCESA-N 2 1 300.368 3.409 20 0 DGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407260 434405212 /nfs/dbraw/zinc/40/52/12/434405212.db2.gz ZPEYZYUXRJNOJK-IVDHNXQLSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423407260 434405221 /nfs/dbraw/zinc/40/52/21/434405221.db2.gz ZPEYZYUXRJNOJK-IVDHNXQLSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407260 434405231 /nfs/dbraw/zinc/40/52/31/434405231.db2.gz ZPEYZYUXRJNOJK-IVDHNXQLSA-N 3 1 313.489 3.042 20 0 DGADMP COC[C@@]1(C[NH2+][C@@H](C)c2cc3ccccc3s2)CCC[NH2+]1 ZINC000423409281 434411674 /nfs/dbraw/zinc/41/16/74/434411674.db2.gz BOLKIMADTBVPEF-GUYCJALGSA-N 2 1 304.459 3.321 20 0 DGADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000438112127 434414273 /nfs/dbraw/zinc/41/42/73/434414273.db2.gz DPVFVOODLYQFBW-MOPGFXCFSA-N 2 1 309.542 3.305 20 0 DGADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423425716 434418564 /nfs/dbraw/zinc/41/85/64/434418564.db2.gz GXGVRNCFGMCIMN-HDEZJCGLSA-N 2 1 318.873 3.493 20 0 DGADMP CSC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000348631931 434418876 /nfs/dbraw/zinc/41/88/76/434418876.db2.gz GLLLSRNEPJDHDM-SFHVURJKSA-N 2 1 316.514 3.480 20 0 DGADMP CSC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000348631931 434418884 /nfs/dbraw/zinc/41/88/84/434418884.db2.gz GLLLSRNEPJDHDM-SFHVURJKSA-N 2 1 316.514 3.480 20 0 DGADMP CSC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000348631931 434418891 /nfs/dbraw/zinc/41/88/91/434418891.db2.gz GLLLSRNEPJDHDM-SFHVURJKSA-N 2 1 316.514 3.480 20 0 DGADMP CSC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000348631930 434420628 /nfs/dbraw/zinc/42/06/28/434420628.db2.gz GLLLSRNEPJDHDM-GOSISDBHSA-N 2 1 316.514 3.480 20 0 DGADMP CSC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000348631930 434420637 /nfs/dbraw/zinc/42/06/37/434420637.db2.gz GLLLSRNEPJDHDM-GOSISDBHSA-N 2 1 316.514 3.480 20 0 DGADMP CSC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000348631930 434420646 /nfs/dbraw/zinc/42/06/46/434420646.db2.gz GLLLSRNEPJDHDM-GOSISDBHSA-N 2 1 316.514 3.480 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000438182951 434429135 /nfs/dbraw/zinc/42/91/35/434429135.db2.gz VHUGJTBHNXBCQY-SJORKVTESA-N 2 1 302.462 3.228 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000348641444 434429703 /nfs/dbraw/zinc/42/97/03/434429703.db2.gz JHVWAMNZYSFXSK-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000348641444 434429715 /nfs/dbraw/zinc/42/97/15/434429715.db2.gz JHVWAMNZYSFXSK-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000348641444 434429725 /nfs/dbraw/zinc/42/97/25/434429725.db2.gz JHVWAMNZYSFXSK-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000348641444 434429733 /nfs/dbraw/zinc/42/97/33/434429733.db2.gz JHVWAMNZYSFXSK-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397074176 434430802 /nfs/dbraw/zinc/43/08/02/434430802.db2.gz CZTDPFFNGGXAQX-UHFFFAOYSA-N 2 1 309.457 3.453 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423468676 434435795 /nfs/dbraw/zinc/43/57/95/434435795.db2.gz FNBUWKIMIYZOLR-BLLLJJGKSA-N 2 1 319.399 3.380 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2sccc2Br)C[C@H]1C[NH3+] ZINC000397314720 434437457 /nfs/dbraw/zinc/43/74/57/434437457.db2.gz QKCRNIZCMBRGHE-GMTAPVOTSA-N 2 1 317.296 3.316 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2sccc2Br)C[C@H]1C[NH3+] ZINC000397314720 434437464 /nfs/dbraw/zinc/43/74/64/434437464.db2.gz QKCRNIZCMBRGHE-GMTAPVOTSA-N 2 1 317.296 3.316 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)C1 ZINC000295944747 434448736 /nfs/dbraw/zinc/44/87/36/434448736.db2.gz LBALRXGBNLJEPW-QFBILLFUSA-N 2 1 324.472 3.350 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)C1 ZINC000295944747 434448746 /nfs/dbraw/zinc/44/87/46/434448746.db2.gz LBALRXGBNLJEPW-QFBILLFUSA-N 2 1 324.472 3.350 20 0 DGADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423463496 434438261 /nfs/dbraw/zinc/43/82/61/434438261.db2.gz LGKSTQKMEBTINM-CZKCSJLSSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC000397402079 434438367 /nfs/dbraw/zinc/43/83/67/434438367.db2.gz NNPUBFPCRWSWBC-UMVBOHGHSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC000397402079 434438377 /nfs/dbraw/zinc/43/83/77/434438377.db2.gz NNPUBFPCRWSWBC-UMVBOHGHSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@H](N[C@@H](C[NH3+])C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496493 434459369 /nfs/dbraw/zinc/45/93/69/434459369.db2.gz FAGLIUZFGAPUCR-VDGAXYAQSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497981 434460334 /nfs/dbraw/zinc/46/03/34/434460334.db2.gz ATZDIQSUYXGPTH-FHLIZLRMSA-N 2 1 300.471 3.414 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C3(C)CC3)cc2)CC1 ZINC000360010187 434473762 /nfs/dbraw/zinc/47/37/62/434473762.db2.gz FBWSQFNVWLMHPW-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1OC(F)F ZINC000423521991 434474348 /nfs/dbraw/zinc/47/43/48/434474348.db2.gz GWGNKQCIUIVXHG-JTQLQIEISA-N 2 1 302.340 3.220 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399809205 434483556 /nfs/dbraw/zinc/48/35/56/434483556.db2.gz GIUQEDIEOUOVBY-AZUAARDMSA-N 2 1 323.484 3.433 20 0 DGADMP CO[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360027773 434483813 /nfs/dbraw/zinc/48/38/13/434483813.db2.gz OOJMWRWAORVOIN-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360027773 434483819 /nfs/dbraw/zinc/48/38/19/434483819.db2.gz OOJMWRWAORVOIN-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360027773 434483829 /nfs/dbraw/zinc/48/38/29/434483829.db2.gz OOJMWRWAORVOIN-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000398072604 434449544 /nfs/dbraw/zinc/44/95/44/434449544.db2.gz ZEAMMCPTCJBACT-YDPGBSGYSA-N 2 1 321.468 3.384 20 0 DGADMP Fc1ccccc1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423493740 434455340 /nfs/dbraw/zinc/45/53/40/434455340.db2.gz QZDRZWYCYZUXFE-YJBOKZPZSA-N 2 1 306.425 3.025 20 0 DGADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423500936 434457623 /nfs/dbraw/zinc/45/76/23/434457623.db2.gz DJCYMHVQXZTBDL-APWZRJJASA-N 2 1 320.477 3.285 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000348836123 434520570 /nfs/dbraw/zinc/52/05/70/434520570.db2.gz BZOCYGQLEXRMMT-GOSISDBHSA-N 2 1 302.462 3.018 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000348836123 434520577 /nfs/dbraw/zinc/52/05/77/434520577.db2.gz BZOCYGQLEXRMMT-GOSISDBHSA-N 2 1 302.462 3.018 20 0 DGADMP CC(C)n1cc(CN[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405959255 434527077 /nfs/dbraw/zinc/52/70/77/434527077.db2.gz MEZSDSNZNPRHBK-LJQANCHMSA-N 2 1 312.461 3.218 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000353929640 434532395 /nfs/dbraw/zinc/53/23/95/434532395.db2.gz DZLJPIGOEMVSCK-LJQANCHMSA-N 2 1 303.494 3.423 20 0 DGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000353935038 434536103 /nfs/dbraw/zinc/53/61/03/434536103.db2.gz UFMMZHORAVQHBT-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000353935128 434536208 /nfs/dbraw/zinc/53/62/08/434536208.db2.gz YPKRQWVLKCEVQC-UXHICEINSA-N 2 1 316.489 3.230 20 0 DGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000353935128 434536212 /nfs/dbraw/zinc/53/62/12/434536212.db2.gz YPKRQWVLKCEVQC-UXHICEINSA-N 2 1 316.489 3.230 20 0 DGADMP C[N@@H+](CCOc1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000525517778 295018571 /nfs/dbraw/zinc/01/85/71/295018571.db2.gz DFHXEEFRJRUWBJ-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP C[NH+](CCOc1cccc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000525517778 295018574 /nfs/dbraw/zinc/01/85/74/295018574.db2.gz DFHXEEFRJRUWBJ-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP C[NH+](CCOc1cccc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000525517778 295018576 /nfs/dbraw/zinc/01/85/76/295018576.db2.gz DFHXEEFRJRUWBJ-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1Sc1ccccc1 ZINC000459370879 434567717 /nfs/dbraw/zinc/56/77/17/434567717.db2.gz GWQZHPQZHVASHU-KZNAEPCWSA-N 2 1 320.502 3.009 20 0 DGADMP c1nc2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000525997715 295049450 /nfs/dbraw/zinc/04/94/50/295049450.db2.gz WEMVGWXABUGZCV-GOSISDBHSA-N 2 1 320.440 3.175 20 0 DGADMP c1nc2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000525997715 295049453 /nfs/dbraw/zinc/04/94/53/295049453.db2.gz WEMVGWXABUGZCV-GOSISDBHSA-N 2 1 320.440 3.175 20 0 DGADMP c1nc2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000525997715 295049455 /nfs/dbraw/zinc/04/94/55/295049455.db2.gz WEMVGWXABUGZCV-GOSISDBHSA-N 2 1 320.440 3.175 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527797029 295132057 /nfs/dbraw/zinc/13/20/57/295132057.db2.gz CARLZAXFSZZJAN-CVEARBPZSA-N 2 1 315.436 3.374 20 0 DGADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527810760 295135141 /nfs/dbraw/zinc/13/51/41/295135141.db2.gz PQSRCLMHNLSWMP-FQEVSTJZSA-N 2 1 319.537 3.390 20 0 DGADMP CC(C)c1cccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000527860803 295141835 /nfs/dbraw/zinc/14/18/35/295141835.db2.gz YDGOMSCRNZWYGH-SFHVURJKSA-N 2 1 317.521 3.488 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@@H](C)C1 ZINC000527996257 295161967 /nfs/dbraw/zinc/16/19/67/295161967.db2.gz PBIQBUPTZBLMSC-SCLBCKFNSA-N 2 1 317.452 3.478 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C3CC4(CCC4)C3)CCCC2)CC1 ZINC000459417021 434579500 /nfs/dbraw/zinc/57/95/00/434579500.db2.gz BNQWDYVPVZWWOH-UHFFFAOYSA-N 2 1 306.494 3.332 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528393138 295207071 /nfs/dbraw/zinc/20/70/71/295207071.db2.gz IUVKDKRLTWTLDP-HKUYNNGSSA-N 2 1 322.468 3.047 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccc(F)cc2)OC)C[C@@H]1C ZINC000528393868 295207196 /nfs/dbraw/zinc/20/71/96/295207196.db2.gz HCTKIWBZPUDWPJ-ZYSHUDEJSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)C[C@@H]1C ZINC000528393868 295207198 /nfs/dbraw/zinc/20/71/98/295207198.db2.gz HCTKIWBZPUDWPJ-ZYSHUDEJSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)C[C@@H]1C ZINC000528393868 295207200 /nfs/dbraw/zinc/20/72/00/295207200.db2.gz HCTKIWBZPUDWPJ-ZYSHUDEJSA-N 2 1 322.468 3.188 20 0 DGADMP C/C(Cl)=C\C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000528396989 295207706 /nfs/dbraw/zinc/20/77/06/295207706.db2.gz PNAHFTLIUZEPMN-NWQATZAGSA-N 2 1 314.901 3.340 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000423322271 295224999 /nfs/dbraw/zinc/22/49/99/295224999.db2.gz GJECLVOJVBBFBX-SZMVWBNQSA-N 2 1 302.462 3.309 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459511580 434589944 /nfs/dbraw/zinc/58/99/44/434589944.db2.gz MJMMHHBVLVSZLU-MRXNPFEDSA-N 2 1 307.800 3.496 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCCS2 ZINC000425946633 295271318 /nfs/dbraw/zinc/27/13/18/295271318.db2.gz WWHWYTIMDKAIBY-CJNGLKHVSA-N 2 1 308.491 3.410 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789467 295339180 /nfs/dbraw/zinc/33/91/80/295339180.db2.gz WTDCIAGNJGWLLA-RBUKOAKNSA-N 3 1 301.478 3.032 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778864 295347875 /nfs/dbraw/zinc/34/78/75/295347875.db2.gz JMHMKSDIJWCLIV-BGARFXKYSA-N 2 1 300.446 3.030 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415051679 295348019 /nfs/dbraw/zinc/34/80/19/295348019.db2.gz MKQJTKJCHYNACV-OFLQAFCJSA-N 2 1 300.446 3.172 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000119726653 295365816 /nfs/dbraw/zinc/36/58/16/295365816.db2.gz PFKSSDKZNQNZEV-IBGZPJMESA-N 2 1 316.489 3.479 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@H](C)[C@@H]3C)sc2C1 ZINC000418132703 434596938 /nfs/dbraw/zinc/59/69/38/434596938.db2.gz ZLGJUTZWDDFWKE-RDBSUJKOSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@H](C)[C@@H]3C)sc2C1 ZINC000418132703 434596943 /nfs/dbraw/zinc/59/69/43/434596943.db2.gz ZLGJUTZWDDFWKE-RDBSUJKOSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)[C@H](C)[C@@H]3C)sc2C1 ZINC000418132703 434596952 /nfs/dbraw/zinc/59/69/52/434596952.db2.gz ZLGJUTZWDDFWKE-RDBSUJKOSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)[C@H](C)[C@@H]3C)sc2C1 ZINC000418132703 434596957 /nfs/dbraw/zinc/59/69/57/434596957.db2.gz ZLGJUTZWDDFWKE-RDBSUJKOSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)c1ncc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354099960 434617159 /nfs/dbraw/zinc/61/71/59/434617159.db2.gz INKKMCAZFHTCFH-OAHLLOKOSA-N 2 1 307.507 3.430 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000360602997 434645579 /nfs/dbraw/zinc/64/55/79/434645579.db2.gz AOSGUCZLZRWCCG-RTBURBONSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000360602997 434645583 /nfs/dbraw/zinc/64/55/83/434645583.db2.gz AOSGUCZLZRWCCG-RTBURBONSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000360602997 434645588 /nfs/dbraw/zinc/64/55/88/434645588.db2.gz AOSGUCZLZRWCCG-RTBURBONSA-N 2 1 313.445 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000360583431 434642013 /nfs/dbraw/zinc/64/20/13/434642013.db2.gz RYGPVIJQBMGFPV-BVBHFADKSA-N 2 1 302.462 3.084 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000360602989 434644610 /nfs/dbraw/zinc/64/46/10/434644610.db2.gz AOSGUCZLZRWCCG-MOPGFXCFSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000360602989 434644619 /nfs/dbraw/zinc/64/46/19/434644619.db2.gz AOSGUCZLZRWCCG-MOPGFXCFSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000360602989 434644625 /nfs/dbraw/zinc/64/46/25/434644625.db2.gz AOSGUCZLZRWCCG-MOPGFXCFSA-N 2 1 313.445 3.170 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166779 434648253 /nfs/dbraw/zinc/64/82/53/434648253.db2.gz MMWNXNSOUKMCRU-KRWDZBQOSA-N 2 1 316.474 3.056 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166779 434648257 /nfs/dbraw/zinc/64/82/57/434648257.db2.gz MMWNXNSOUKMCRU-KRWDZBQOSA-N 2 1 316.474 3.056 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166779 434648265 /nfs/dbraw/zinc/64/82/65/434648265.db2.gz MMWNXNSOUKMCRU-KRWDZBQOSA-N 2 1 316.474 3.056 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166779 434648270 /nfs/dbraw/zinc/64/82/70/434648270.db2.gz MMWNXNSOUKMCRU-KRWDZBQOSA-N 2 1 316.474 3.056 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000354179860 434660018 /nfs/dbraw/zinc/66/00/18/434660018.db2.gz FVMDXQWCMZXGDB-AAILRHKWSA-N 2 1 324.509 3.208 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000354179860 434660026 /nfs/dbraw/zinc/66/00/26/434660026.db2.gz FVMDXQWCMZXGDB-AAILRHKWSA-N 2 1 324.509 3.208 20 0 DGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295086 434666336 /nfs/dbraw/zinc/66/63/36/434666336.db2.gz OQVLBUIJEQWIRF-KBAYOESNSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295086 434666344 /nfs/dbraw/zinc/66/63/44/434666344.db2.gz OQVLBUIJEQWIRF-KBAYOESNSA-N 2 1 320.502 3.092 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000371340353 434671070 /nfs/dbraw/zinc/67/10/70/434671070.db2.gz DKGQRQDTKXEUES-IYWMVGAKSA-N 2 1 321.553 3.161 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424285433 434678986 /nfs/dbraw/zinc/67/89/86/434678986.db2.gz DZANUNHWAYRLLG-BVBHFADKSA-N 2 1 308.510 3.149 20 0 DGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000459727868 434681484 /nfs/dbraw/zinc/68/14/84/434681484.db2.gz HPKQKNYLLGXKHQ-CQSZACIVSA-N 2 1 308.491 3.239 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459733190 434684729 /nfs/dbraw/zinc/68/47/29/434684729.db2.gz GLQIRIVXURVZSO-NVXWUHKLSA-N 2 1 318.461 3.058 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)CSc2ccc(C)cc2)CC1 ZINC000349357100 434688952 /nfs/dbraw/zinc/68/89/52/434688952.db2.gz SPFPJVFXFMXAIO-MRXNPFEDSA-N 2 1 322.518 3.176 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000371753444 434746730 /nfs/dbraw/zinc/74/67/30/434746730.db2.gz PBILVBYTDNRTBS-IBGZPJMESA-N 2 1 323.444 3.084 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCCO1 ZINC000411220199 434746976 /nfs/dbraw/zinc/74/69/76/434746976.db2.gz RNAYPYKPESFUFQ-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000419194426 434747884 /nfs/dbraw/zinc/74/78/84/434747884.db2.gz SQYRYACZULDTQT-IBGZPJMESA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411249582 434750157 /nfs/dbraw/zinc/75/01/57/434750157.db2.gz DFYNFNYYEQGRBP-XLIONFOSSA-N 2 1 316.489 3.408 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000349408286 434704887 /nfs/dbraw/zinc/70/48/87/434704887.db2.gz OWPFEMCVLDYWPV-UHFFFAOYSA-N 2 1 300.381 3.334 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000349408286 434704893 /nfs/dbraw/zinc/70/48/93/434704893.db2.gz OWPFEMCVLDYWPV-UHFFFAOYSA-N 2 1 300.381 3.334 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544792 434712102 /nfs/dbraw/zinc/71/21/02/434712102.db2.gz BRYCYWBLYASWOU-NTDBWNAOSA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544792 434712108 /nfs/dbraw/zinc/71/21/08/434712108.db2.gz BRYCYWBLYASWOU-NTDBWNAOSA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544792 434712112 /nfs/dbraw/zinc/71/21/12/434712112.db2.gz BRYCYWBLYASWOU-NTDBWNAOSA-N 2 1 306.494 3.140 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459773645 434713373 /nfs/dbraw/zinc/71/33/73/434713373.db2.gz ISZUCZJRDJUGJV-CVEARBPZSA-N 2 1 314.477 3.206 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C/C=C\c1ccc(F)cc1F)CC[NH2+]CC2 ZINC000424374314 434714845 /nfs/dbraw/zinc/71/48/45/434714845.db2.gz IEPHGHVXJQWRRN-PYLYLYNFSA-N 2 1 306.400 3.442 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(C(C)(C)C)s1)CC[NH2+]CC2 ZINC000424388026 434717395 /nfs/dbraw/zinc/71/73/95/434717395.db2.gz YYGSJUQOZUNANU-ZDUSSCGKSA-N 2 1 307.507 3.405 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459791102 434720961 /nfs/dbraw/zinc/72/09/61/434720961.db2.gz HLEHVZCOKVAYQH-BMFZPTHFSA-N 2 1 307.482 3.399 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000459797477 434724118 /nfs/dbraw/zinc/72/41/18/434724118.db2.gz WSCVZMVFXVETEU-LBPRGKRZSA-N 2 1 307.438 3.257 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459799654 434724154 /nfs/dbraw/zinc/72/41/54/434724154.db2.gz YUHUXZMMEOFJJB-KSZLIROESA-N 2 1 324.509 3.210 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000354346302 434729981 /nfs/dbraw/zinc/72/99/81/434729981.db2.gz HDBAKJXLXUXNTM-QFBILLFUSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000354346302 434729985 /nfs/dbraw/zinc/72/99/85/434729985.db2.gz HDBAKJXLXUXNTM-QFBILLFUSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CO1 ZINC000411141559 434730730 /nfs/dbraw/zinc/73/07/30/434730730.db2.gz FHRUILDVQWNJGG-IRXDYDNUSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CO1 ZINC000411141559 434730732 /nfs/dbraw/zinc/73/07/32/434730732.db2.gz FHRUILDVQWNJGG-IRXDYDNUSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411147987 434734012 /nfs/dbraw/zinc/73/40/12/434734012.db2.gz QSXBMTKECFEIDF-SJORKVTESA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411162633 434735868 /nfs/dbraw/zinc/73/58/68/434735868.db2.gz HMCCYYAOBSZOFL-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411162633 434735877 /nfs/dbraw/zinc/73/58/77/434735877.db2.gz HMCCYYAOBSZOFL-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000360939560 434737480 /nfs/dbraw/zinc/73/74/80/434737480.db2.gz BFUFFGZEXRQYMR-GFCCVEGCSA-N 2 1 309.360 3.452 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764726 434771150 /nfs/dbraw/zinc/77/11/50/434771150.db2.gz DFWZVJHRGMCUNF-HRCADAONSA-N 2 1 317.477 3.115 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764726 434771158 /nfs/dbraw/zinc/77/11/58/434771158.db2.gz DFWZVJHRGMCUNF-HRCADAONSA-N 2 1 317.477 3.115 20 0 DGADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248617 434757121 /nfs/dbraw/zinc/75/71/21/434757121.db2.gz XVFXEZFWOFSHMT-QXAKKESOSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248617 434757127 /nfs/dbraw/zinc/75/71/27/434757127.db2.gz XVFXEZFWOFSHMT-QXAKKESOSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248617 434757130 /nfs/dbraw/zinc/75/71/30/434757130.db2.gz XVFXEZFWOFSHMT-QXAKKESOSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248617 434757136 /nfs/dbraw/zinc/75/71/36/434757136.db2.gz XVFXEZFWOFSHMT-QXAKKESOSA-N 2 1 304.478 3.396 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296507 434758919 /nfs/dbraw/zinc/75/89/19/434758919.db2.gz GRFFEJWTRVDZKU-MNEFBYGVSA-N 2 1 302.437 3.345 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296507 434758923 /nfs/dbraw/zinc/75/89/23/434758923.db2.gz GRFFEJWTRVDZKU-MNEFBYGVSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296507 434758929 /nfs/dbraw/zinc/75/89/29/434758929.db2.gz GRFFEJWTRVDZKU-MNEFBYGVSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296507 434758935 /nfs/dbraw/zinc/75/89/35/434758935.db2.gz GRFFEJWTRVDZKU-MNEFBYGVSA-N 2 1 302.437 3.345 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442634732 434771760 /nfs/dbraw/zinc/77/17/60/434771760.db2.gz HRZWADQCOWYIGR-CVEARBPZSA-N 2 1 311.473 3.489 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411404787 434775142 /nfs/dbraw/zinc/77/51/42/434775142.db2.gz ZJMZRUHXMPSFMS-LJQANCHMSA-N 2 1 316.489 3.408 20 0 DGADMP CC(CC[NH+](C)[C@@H]1CCSC1)CC[N@@H+](C)[C@@H]1CCSC1 ZINC000411409594 434776726 /nfs/dbraw/zinc/77/67/26/434776726.db2.gz TWMSPHMCKVLHQA-HZPDHXFCSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000414692129 297248895 /nfs/dbraw/zinc/24/88/95/297248895.db2.gz KUNXGBYVGJSAMY-AYBZRNKSSA-N 2 1 320.452 3.195 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414697272 297252414 /nfs/dbraw/zinc/25/24/14/297252414.db2.gz IKAMIJMGLRNSGS-GJYPPUQNSA-N 2 1 301.478 3.278 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000453056598 434785758 /nfs/dbraw/zinc/78/57/58/434785758.db2.gz GHSUEXAQABXGRY-YYIAUSFCSA-N 2 1 304.482 3.237 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453066512 434788761 /nfs/dbraw/zinc/78/87/61/434788761.db2.gz XBGFDRMPUYJOAC-ZCNNSNEGSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411437604 434781369 /nfs/dbraw/zinc/78/13/69/434781369.db2.gz ABYPFESUAOVHKJ-UHFFFAOYSA-N 2 1 302.462 3.242 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411437604 434781373 /nfs/dbraw/zinc/78/13/73/434781373.db2.gz ABYPFESUAOVHKJ-UHFFFAOYSA-N 2 1 302.462 3.242 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411562070 434801420 /nfs/dbraw/zinc/80/14/20/434801420.db2.gz BYAHJIURVDRCAG-UHFFFAOYSA-N 2 1 316.489 3.408 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cs1 ZINC000453105418 434803704 /nfs/dbraw/zinc/80/37/04/434803704.db2.gz BSFRENVSFDIFAE-HUUCEWRRSA-N 2 1 308.491 3.208 20 0 DGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)CC1 ZINC000453070001 434791245 /nfs/dbraw/zinc/79/12/45/434791245.db2.gz LCJFZPKTIXEWOJ-LJQANCHMSA-N 2 1 324.472 3.350 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453132523 434812162 /nfs/dbraw/zinc/81/21/62/434812162.db2.gz DRMPKNYICRWVKA-NMLBUPMWSA-N 2 1 316.489 3.180 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453141877 434814333 /nfs/dbraw/zinc/81/43/33/434814333.db2.gz OQZXOUQMOAYWJL-GUDVDZBRSA-N 2 1 316.489 3.444 20 0 DGADMP c1cnn([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC000411747444 434825281 /nfs/dbraw/zinc/82/52/81/434825281.db2.gz QBOUMCHGZUAICQ-HXUWFJFHSA-N 2 1 324.472 3.316 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453187813 434825309 /nfs/dbraw/zinc/82/53/09/434825309.db2.gz AODWSBBDOIFCPA-FLFBIERCSA-N 2 1 316.489 3.179 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453201832 434827820 /nfs/dbraw/zinc/82/78/20/434827820.db2.gz AXSYAWDELJUGHL-XUVXKRRUSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCc3ccccc3CC2)CCCO1 ZINC000453201275 434827980 /nfs/dbraw/zinc/82/79/80/434827980.db2.gz BOJIJTBCPQQBIJ-KRWDZBQOSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCc3ccccc3CC2)CCCO1 ZINC000453201275 434827983 /nfs/dbraw/zinc/82/79/83/434827983.db2.gz BOJIJTBCPQQBIJ-KRWDZBQOSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411803988 434830664 /nfs/dbraw/zinc/83/06/64/434830664.db2.gz PBIRSCYKGFJBGD-QFBILLFUSA-N 2 1 302.462 3.018 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372742692 434851674 /nfs/dbraw/zinc/85/16/74/434851674.db2.gz QKHBNDVISFKWBZ-XUVXKRRUSA-N 2 1 319.537 3.079 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000521583105 434889289 /nfs/dbraw/zinc/88/92/89/434889289.db2.gz FCKFVFPIYPFLNK-SZMVWBNQSA-N 2 1 302.462 3.090 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000637856647 434893083 /nfs/dbraw/zinc/89/30/83/434893083.db2.gz HGOCFCYJSIVGEA-CRAIPNDOSA-N 2 1 323.440 3.167 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[NH+](CCC(C)(C)C)CC2)c1C ZINC000522191851 434917468 /nfs/dbraw/zinc/91/74/68/434917468.db2.gz DYNHESHGTXYFJW-UHFFFAOYSA-N 2 1 319.493 3.261 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000573000716 434868709 /nfs/dbraw/zinc/86/87/09/434868709.db2.gz PAKMRJBRUMSGBQ-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000573000716 434868713 /nfs/dbraw/zinc/86/87/13/434868713.db2.gz PAKMRJBRUMSGBQ-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000573952468 434939429 /nfs/dbraw/zinc/93/94/29/434939429.db2.gz JHIBJJRXJXLOLS-CABCVRRESA-N 2 1 324.852 3.251 20 0 DGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638073028 434943929 /nfs/dbraw/zinc/94/39/29/434943929.db2.gz WSIFXHNSVQDAME-INIZCTEOSA-N 2 1 324.428 3.041 20 0 DGADMP COc1cc(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)ccn1 ZINC000638367370 435013649 /nfs/dbraw/zinc/01/36/49/435013649.db2.gz UYRVRYUKIXDNMZ-DLBZAZTESA-N 2 1 319.493 3.265 20 0 DGADMP COCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638370953 435016036 /nfs/dbraw/zinc/01/60/36/435016036.db2.gz HLKUNHUNLUAUDH-PKOBYXMFSA-N 2 1 302.462 3.371 20 0 DGADMP COCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638370953 435016041 /nfs/dbraw/zinc/01/60/41/435016041.db2.gz HLKUNHUNLUAUDH-PKOBYXMFSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638370275 435016637 /nfs/dbraw/zinc/01/66/37/435016637.db2.gz KXHHFQIBJMWGBK-CALCHBBNSA-N 2 1 304.478 3.027 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1F ZINC000638376357 435017455 /nfs/dbraw/zinc/01/74/55/435017455.db2.gz JVUPPUTUNSDSJV-DZGCQCFKSA-N 2 1 317.383 3.229 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1F ZINC000638376357 435017460 /nfs/dbraw/zinc/01/74/60/435017460.db2.gz JVUPPUTUNSDSJV-DZGCQCFKSA-N 2 1 317.383 3.229 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000556769215 435023518 /nfs/dbraw/zinc/02/35/18/435023518.db2.gz JZXIECQXZRAUMO-INIZCTEOSA-N 2 1 312.461 3.205 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408420 435023840 /nfs/dbraw/zinc/02/38/40/435023840.db2.gz HGOSZNDIYYYZQG-HBFSDRIKSA-N 2 1 313.489 3.038 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408420 435023843 /nfs/dbraw/zinc/02/38/43/435023843.db2.gz HGOSZNDIYYYZQG-HBFSDRIKSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408420 435023846 /nfs/dbraw/zinc/02/38/46/435023846.db2.gz HGOSZNDIYYYZQG-HBFSDRIKSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408420 435023848 /nfs/dbraw/zinc/02/38/48/435023848.db2.gz HGOSZNDIYYYZQG-HBFSDRIKSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@@H](CO)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638415284 435024683 /nfs/dbraw/zinc/02/46/83/435024683.db2.gz GOPAUOIRQSHUTF-YLJYHZDGSA-N 2 1 318.505 3.143 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000556816649 435026783 /nfs/dbraw/zinc/02/67/83/435026783.db2.gz HYJVCBKFQFOVLG-HXUWFJFHSA-N 2 1 313.489 3.022 20 0 DGADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638446779 435031938 /nfs/dbraw/zinc/03/19/38/435031938.db2.gz SEVMXZJEACCYNR-AYBZRNKSSA-N 2 1 302.462 3.227 20 0 DGADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638446779 435031940 /nfs/dbraw/zinc/03/19/40/435031940.db2.gz SEVMXZJEACCYNR-AYBZRNKSSA-N 2 1 302.462 3.227 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000555530911 434976826 /nfs/dbraw/zinc/97/68/26/434976826.db2.gz WLMCPLNXVDNZBF-RCCFBDPRSA-N 2 1 324.509 3.210 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000555534242 434976840 /nfs/dbraw/zinc/97/68/40/434976840.db2.gz QGTRHXCHUWEULQ-BZSNNMDCSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1c[nH+]cn1C ZINC000574576406 434987841 /nfs/dbraw/zinc/98/78/41/434987841.db2.gz CYTBPLDQFILBIM-GFCCVEGCSA-N 2 1 311.351 3.202 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556051493 434992475 /nfs/dbraw/zinc/99/24/75/434992475.db2.gz ZLNCUBXQONFJQX-UYAOXDASSA-N 2 1 310.441 3.491 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556051493 434992481 /nfs/dbraw/zinc/99/24/81/434992481.db2.gz ZLNCUBXQONFJQX-UYAOXDASSA-N 2 1 310.441 3.491 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638301910 434999686 /nfs/dbraw/zinc/99/96/86/434999686.db2.gz VNTCFHZGLFLCLY-UHFFFAOYSA-N 2 1 304.265 3.253 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccnc(OC)c2)c1 ZINC000556234189 435001060 /nfs/dbraw/zinc/00/10/60/435001060.db2.gz OHDKPHNFYRVEKV-HNNXBMFYSA-N 2 1 313.445 3.393 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccnc(OC)c2)c1 ZINC000556234192 435001984 /nfs/dbraw/zinc/00/19/84/435001984.db2.gz OHDKPHNFYRVEKV-OAHLLOKOSA-N 2 1 313.445 3.393 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000638321179 435005186 /nfs/dbraw/zinc/00/51/86/435005186.db2.gz DJCYYGXNYCTKLS-UHFFFAOYSA-N 2 1 314.260 3.292 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638328766 435006763 /nfs/dbraw/zinc/00/67/63/435006763.db2.gz KQEHSPJYBZXIAD-QRQLOZEOSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638328766 435006767 /nfs/dbraw/zinc/00/67/67/435006767.db2.gz KQEHSPJYBZXIAD-QRQLOZEOSA-N 2 1 302.462 3.105 20 0 DGADMP CCOC1CC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000638341291 435008304 /nfs/dbraw/zinc/00/83/04/435008304.db2.gz AZLJXUHKTKBKQR-UHFFFAOYSA-N 2 1 316.489 3.098 20 0 DGADMP c1cnn(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638346662 435010384 /nfs/dbraw/zinc/01/03/84/435010384.db2.gz YXAUZNKNBKUVOO-QUCCMNQESA-N 2 1 324.472 3.231 20 0 DGADMP c1cnn(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638346662 435010390 /nfs/dbraw/zinc/01/03/90/435010390.db2.gz YXAUZNKNBKUVOO-QUCCMNQESA-N 2 1 324.472 3.231 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638356061 435011860 /nfs/dbraw/zinc/01/18/60/435011860.db2.gz VKAGMEOZLBTKNN-IMFGXOCKSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638356061 435011863 /nfs/dbraw/zinc/01/18/63/435011863.db2.gz VKAGMEOZLBTKNN-IMFGXOCKSA-N 2 1 324.472 3.229 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCCOc2ccc(C)c(C)c2)CC1 ZINC000530905577 435058546 /nfs/dbraw/zinc/05/85/46/435058546.db2.gz JMOCYPVTONMKIB-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCCOc2ccc(C)c(C)c2)CC1 ZINC000530905577 435058551 /nfs/dbraw/zinc/05/85/51/435058551.db2.gz JMOCYPVTONMKIB-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP C[C@@]1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000638621727 435061050 /nfs/dbraw/zinc/06/10/50/435061050.db2.gz YRVBPLMYCSSYKG-UFYCRDLUSA-N 2 1 316.489 3.007 20 0 DGADMP O[C@]1(C[NH2+]CC2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000531011820 435065580 /nfs/dbraw/zinc/06/55/80/435065580.db2.gz KODRFXIKAAFBCI-FQEVSTJZSA-N 2 1 316.489 3.183 20 0 DGADMP O[C@]1(C[NH2+]CC2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531011820 435065584 /nfs/dbraw/zinc/06/55/84/435065584.db2.gz KODRFXIKAAFBCI-FQEVSTJZSA-N 2 1 316.489 3.183 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)[C@H]1c1cccs1 ZINC000638669770 435068070 /nfs/dbraw/zinc/06/80/70/435068070.db2.gz BHTGSMQXYKVFNN-VYDXJSESSA-N 2 1 308.491 3.290 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)[C@H]1c1cccs1 ZINC000638669770 435068077 /nfs/dbraw/zinc/06/80/77/435068077.db2.gz BHTGSMQXYKVFNN-VYDXJSESSA-N 2 1 308.491 3.290 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638721843 435076620 /nfs/dbraw/zinc/07/66/20/435076620.db2.gz OALMIXFIYHLKBK-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638721843 435076624 /nfs/dbraw/zinc/07/66/24/435076624.db2.gz OALMIXFIYHLKBK-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](CCNCc1cccc(F)c1N)[N@@H+](C)Cc1ccccc1 ZINC000638726856 435078345 /nfs/dbraw/zinc/07/83/45/435078345.db2.gz WFSBAXCXAIFBHB-OAHLLOKOSA-N 2 1 315.436 3.408 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc(F)c1N)[N@@H+](C)Cc1ccccc1 ZINC000638726856 435078350 /nfs/dbraw/zinc/07/83/50/435078350.db2.gz WFSBAXCXAIFBHB-OAHLLOKOSA-N 2 1 315.436 3.408 20 0 DGADMP CC[C@H](Cc1ccccc1)C(=O)Nc1cnccc1-n1ccnc1 ZINC000558322879 435085086 /nfs/dbraw/zinc/08/50/86/435085086.db2.gz IIWLVMWUFUPCNA-MRXNPFEDSA-N 2 1 320.396 3.475 20 0 DGADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466260 435037112 /nfs/dbraw/zinc/03/71/12/435037112.db2.gz IITNVXAOUPZMOK-IMFGXOCKSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466260 435037116 /nfs/dbraw/zinc/03/71/16/435037116.db2.gz IITNVXAOUPZMOK-IMFGXOCKSA-N 2 1 315.505 3.284 20 0 DGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638486418 435041388 /nfs/dbraw/zinc/04/13/88/435041388.db2.gz SKNPAJPUGPMNRX-AYBZRNKSSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638486418 435041390 /nfs/dbraw/zinc/04/13/90/435041390.db2.gz SKNPAJPUGPMNRX-AYBZRNKSSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000638521234 435044964 /nfs/dbraw/zinc/04/49/64/435044964.db2.gz CEPPBQYAFIQYFB-UAGQMJEPSA-N 2 1 308.416 3.184 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638523941 435046636 /nfs/dbraw/zinc/04/66/36/435046636.db2.gz KMDUOAQWTLUZSC-LNLFQRSKSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638523941 435046638 /nfs/dbraw/zinc/04/66/38/435046638.db2.gz KMDUOAQWTLUZSC-LNLFQRSKSA-N 2 1 300.446 3.123 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638566981 435052876 /nfs/dbraw/zinc/05/28/76/435052876.db2.gz UZNLQMVLCQMTDY-OALUTQOASA-N 2 1 315.505 3.223 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638581969 435054133 /nfs/dbraw/zinc/05/41/33/435054133.db2.gz IQKYDTNTRBTKSN-SMMRIJLZSA-N 2 1 316.489 3.351 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638581969 435054135 /nfs/dbraw/zinc/05/41/35/435054135.db2.gz IQKYDTNTRBTKSN-SMMRIJLZSA-N 2 1 316.489 3.351 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075259 435146274 /nfs/dbraw/zinc/14/62/74/435146274.db2.gz GTGRSIIKXAXUCJ-GTAWCEEGSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075259 435146277 /nfs/dbraw/zinc/14/62/77/435146277.db2.gz GTGRSIIKXAXUCJ-GTAWCEEGSA-N 2 1 314.473 3.248 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474456667 435147256 /nfs/dbraw/zinc/14/72/56/435147256.db2.gz FNBZWNGUVOWAGF-OALUTQOASA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3CCCC3)CC2)C[C@H](C)O1 ZINC000531416844 435093043 /nfs/dbraw/zinc/09/30/43/435093043.db2.gz ONWBFYUFBYZNKY-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814546 435094362 /nfs/dbraw/zinc/09/43/62/435094362.db2.gz DJVALGZZCKPZAW-YJLNNSPDSA-N 2 1 310.445 3.428 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814546 435094367 /nfs/dbraw/zinc/09/43/67/435094367.db2.gz DJVALGZZCKPZAW-YJLNNSPDSA-N 2 1 310.445 3.428 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000558507182 435096358 /nfs/dbraw/zinc/09/63/58/435096358.db2.gz HVYBXKMQYIWLEN-KBMXLJTQSA-N 2 1 314.395 3.480 20 0 DGADMP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)sn1 ZINC000638850460 435103950 /nfs/dbraw/zinc/10/39/50/435103950.db2.gz NJXZRUMVFQWSGJ-UHFFFAOYSA-N 2 1 301.459 3.337 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699721 435106409 /nfs/dbraw/zinc/10/64/09/435106409.db2.gz JUNMTYRDHOVAFW-MTQWCTHYSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699721 435106414 /nfs/dbraw/zinc/10/64/14/435106414.db2.gz JUNMTYRDHOVAFW-MTQWCTHYSA-N 2 1 316.489 3.474 20 0 DGADMP C[N@@H+](CCC(=O)NCC(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC000558710010 435107800 /nfs/dbraw/zinc/10/78/00/435107800.db2.gz CJXSATDQVSAGLA-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP c1ccc([C@@H]2C[C@@H](NCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638863200 435107966 /nfs/dbraw/zinc/10/79/66/435107966.db2.gz LRVKRLCKEVGZGJ-ICSRJNTNSA-N 2 1 313.489 3.040 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000531685232 435109977 /nfs/dbraw/zinc/10/99/77/435109977.db2.gz ZZOPPETVRQVXQN-QUCCMNQESA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)C ZINC000531677563 435110102 /nfs/dbraw/zinc/11/01/02/435110102.db2.gz IELHRACLVQZYCK-CVEARBPZSA-N 2 1 309.523 3.061 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531707989 435111375 /nfs/dbraw/zinc/11/13/75/435111375.db2.gz TXPGSSVDPYWRRG-MRXNPFEDSA-N 2 1 320.477 3.155 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000531724463 435114658 /nfs/dbraw/zinc/11/46/58/435114658.db2.gz YYHQYWWWWDLTCQ-ULQDDVLXSA-N 2 1 317.477 3.093 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000531724463 435114661 /nfs/dbraw/zinc/11/46/61/435114661.db2.gz YYHQYWWWWDLTCQ-ULQDDVLXSA-N 2 1 317.477 3.093 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531737227 435115258 /nfs/dbraw/zinc/11/52/58/435115258.db2.gz WWWKTBWGFSSYMU-KBRIMQKVSA-N 2 1 309.885 3.015 20 0 DGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467336558 435117666 /nfs/dbraw/zinc/11/76/66/435117666.db2.gz XHMBDKUQSJZLPG-IRXDYDNUSA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578997507 435125146 /nfs/dbraw/zinc/12/51/46/435125146.db2.gz HAEGMMSESHBSMC-GGPKGHCWSA-N 2 1 318.505 3.109 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559788959 435139670 /nfs/dbraw/zinc/13/96/70/435139670.db2.gz KMILBGXQTGCILA-FXRXJOCMSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559788959 435139675 /nfs/dbraw/zinc/13/96/75/435139675.db2.gz KMILBGXQTGCILA-FXRXJOCMSA-N 2 1 302.462 3.368 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639065371 435142390 /nfs/dbraw/zinc/14/23/90/435142390.db2.gz GTGRSIIKXAXUCJ-OJAHFUOMSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639065371 435142392 /nfs/dbraw/zinc/14/23/92/435142392.db2.gz GTGRSIIKXAXUCJ-OJAHFUOMSA-N 2 1 314.473 3.248 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474041736 435144095 /nfs/dbraw/zinc/14/40/95/435144095.db2.gz WKIVRKZKSUMDDX-DEYYWGMASA-N 2 1 302.462 3.490 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474041736 435144100 /nfs/dbraw/zinc/14/41/00/435144100.db2.gz WKIVRKZKSUMDDX-DEYYWGMASA-N 2 1 302.462 3.490 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639071591 435144770 /nfs/dbraw/zinc/14/47/70/435144770.db2.gz NADYBZBOGGBWBG-OQIJWPOYSA-N 2 1 314.473 3.104 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639071591 435144774 /nfs/dbraw/zinc/14/47/74/435144774.db2.gz NADYBZBOGGBWBG-OQIJWPOYSA-N 2 1 314.473 3.104 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000474065167 435144929 /nfs/dbraw/zinc/14/49/29/435144929.db2.gz IQDKRSYFSAHKTR-LIRRHRJNSA-N 2 1 314.473 3.492 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188672 435145530 /nfs/dbraw/zinc/14/55/30/435145530.db2.gz XVQNRNFTQQZNOE-ZACQAIPSSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000639177768 435184347 /nfs/dbraw/zinc/18/43/47/435184347.db2.gz GAURRZKUDQPTET-QXAKKESOSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000639177768 435184351 /nfs/dbraw/zinc/18/43/51/435184351.db2.gz GAURRZKUDQPTET-QXAKKESOSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000639177768 435184353 /nfs/dbraw/zinc/18/43/53/435184353.db2.gz GAURRZKUDQPTET-QXAKKESOSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000639177768 435184355 /nfs/dbraw/zinc/18/43/55/435184355.db2.gz GAURRZKUDQPTET-QXAKKESOSA-N 2 1 304.478 3.425 20 0 DGADMP C[NH+]1CCC([N@H+](CCC2CCOCC2)Cc2ccccc2)CC1 ZINC000639177956 435184639 /nfs/dbraw/zinc/18/46/39/435184639.db2.gz DNISWGFKZBAPAE-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC([N@@H+](CCC2CCOCC2)Cc2ccccc2)CC1 ZINC000639177956 435184644 /nfs/dbraw/zinc/18/46/44/435184644.db2.gz DNISWGFKZBAPAE-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475286590 435187152 /nfs/dbraw/zinc/18/71/52/435187152.db2.gz QXKWUJSPGUBEJN-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639187280 435191809 /nfs/dbraw/zinc/19/18/09/435191809.db2.gz KMDUOAQWTLUZSC-JENIJYKNSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639187280 435191813 /nfs/dbraw/zinc/19/18/13/435191813.db2.gz KMDUOAQWTLUZSC-JENIJYKNSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639194719 435194245 /nfs/dbraw/zinc/19/42/45/435194245.db2.gz JUPDJOCYGCZUQS-VQTJNVASSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H]1CC[N@H+](CCN[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240586 435151152 /nfs/dbraw/zinc/15/11/52/435151152.db2.gz DIBVWGLCUZPKFK-DOTOQJQBSA-N 2 1 300.446 3.364 20 0 DGADMP C[C@H]1CC[N@@H+](CCN[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240586 435151155 /nfs/dbraw/zinc/15/11/55/435151155.db2.gz DIBVWGLCUZPKFK-DOTOQJQBSA-N 2 1 300.446 3.364 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639098818 435153687 /nfs/dbraw/zinc/15/36/87/435153687.db2.gz YROOVHKDWDLISV-SMMRIJLZSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639098818 435153692 /nfs/dbraw/zinc/15/36/92/435153692.db2.gz YROOVHKDWDLISV-SMMRIJLZSA-N 2 1 314.473 3.105 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000532450170 435165529 /nfs/dbraw/zinc/16/55/29/435165529.db2.gz TUOHOWNBAIRWES-CMKODMSKSA-N 2 1 317.521 3.389 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000474924359 435166402 /nfs/dbraw/zinc/16/64/02/435166402.db2.gz KKRLCIHZOGVEQJ-MUYFXNHWSA-N 2 1 324.509 3.353 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1CCOCC1 ZINC000532482288 435169321 /nfs/dbraw/zinc/16/93/21/435169321.db2.gz DKROFHCCLQZCQQ-IBGZPJMESA-N 2 1 304.478 3.433 20 0 DGADMP CC[N@H+](Cc1cnc(OC)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639171037 435180673 /nfs/dbraw/zinc/18/06/73/435180673.db2.gz ORYZWRRXHOOZIU-UHFFFAOYSA-N 2 1 319.474 3.235 20 0 DGADMP CC[N@@H+](Cc1cnc(OC)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639171037 435180677 /nfs/dbraw/zinc/18/06/77/435180677.db2.gz ORYZWRRXHOOZIU-UHFFFAOYSA-N 2 1 319.474 3.235 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH+]2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC000533298364 435223556 /nfs/dbraw/zinc/22/35/56/435223556.db2.gz WEPKPMYYSZTNMH-SFHVURJKSA-N 2 1 318.505 3.451 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000580350810 435226090 /nfs/dbraw/zinc/22/60/90/435226090.db2.gz DZSFOOLAMGUYON-FHWLQOOXSA-N 2 1 318.505 3.455 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000580350810 435226093 /nfs/dbraw/zinc/22/60/93/435226093.db2.gz DZSFOOLAMGUYON-FHWLQOOXSA-N 2 1 318.505 3.455 20 0 DGADMP CC(C)(C)CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000475673989 435208428 /nfs/dbraw/zinc/20/84/28/435208428.db2.gz SFILISOFPFRXOK-LJQANCHMSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C1CCCCC1 ZINC000639292020 435230851 /nfs/dbraw/zinc/23/08/51/435230851.db2.gz YEAVHXYKHVGBPW-IAGOWNOFSA-N 2 1 323.525 3.068 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000562019427 435245330 /nfs/dbraw/zinc/24/53/30/435245330.db2.gz LVFGMBOWNHCBCN-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1)C1CC1 ZINC000562038469 435247878 /nfs/dbraw/zinc/24/78/78/435247878.db2.gz RPKSOQDTMOPJJC-KRWDZBQOSA-N 2 1 322.880 3.154 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1)C1CC1 ZINC000562038469 435247882 /nfs/dbraw/zinc/24/78/82/435247882.db2.gz RPKSOQDTMOPJJC-KRWDZBQOSA-N 2 1 322.880 3.154 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639347004 435255970 /nfs/dbraw/zinc/25/59/70/435255970.db2.gz KECLWCLRTXZTCP-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639347004 435255973 /nfs/dbraw/zinc/25/59/73/435255973.db2.gz KECLWCLRTXZTCP-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639357087 435259924 /nfs/dbraw/zinc/25/99/24/435259924.db2.gz NDXWVSYNLQEMNH-RWQQGDIJSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639357087 435259926 /nfs/dbraw/zinc/25/99/26/435259926.db2.gz NDXWVSYNLQEMNH-RWQQGDIJSA-N 2 1 300.446 3.122 20 0 DGADMP CC[C@H]1C[NH+](CCCC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000534275545 435276223 /nfs/dbraw/zinc/27/62/23/435276223.db2.gz QBSJUTRZPAONCI-HOTGVXAUSA-N 2 1 316.580 3.421 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384083 435281137 /nfs/dbraw/zinc/28/11/37/435281137.db2.gz JGWXFWDOGPDZPB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384083 435281142 /nfs/dbraw/zinc/28/11/42/435281142.db2.gz JGWXFWDOGPDZPB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384083 435281148 /nfs/dbraw/zinc/28/11/48/435281148.db2.gz JGWXFWDOGPDZPB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384083 435281153 /nfs/dbraw/zinc/28/11/53/435281153.db2.gz JGWXFWDOGPDZPB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384083 435281156 /nfs/dbraw/zinc/28/11/56/435281156.db2.gz JGWXFWDOGPDZPB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP CC(=O)Nc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000534347154 435281589 /nfs/dbraw/zinc/28/15/89/435281589.db2.gz LOPJQJZOSXLHQJ-UHFFFAOYSA-N 2 1 317.477 3.197 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cc(C)ccc2C)C1 ZINC000478039130 435288672 /nfs/dbraw/zinc/28/86/72/435288672.db2.gz FPJDWKSOAVBPQD-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cc(C)ccc2C)C1 ZINC000478039130 435288679 /nfs/dbraw/zinc/28/86/79/435288679.db2.gz FPJDWKSOAVBPQD-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cc(C)ccc2C)C1 ZINC000478039130 435288684 /nfs/dbraw/zinc/28/86/84/435288684.db2.gz FPJDWKSOAVBPQD-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cc(C)ccc2C)C1 ZINC000478039130 435288689 /nfs/dbraw/zinc/28/86/89/435288689.db2.gz FPJDWKSOAVBPQD-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)C(C)(C)C)CC2)CC1 ZINC000643295875 435295967 /nfs/dbraw/zinc/29/59/67/435295967.db2.gz BRISWBQPXUXDNW-KRWDZBQOSA-N 2 1 309.542 3.161 20 0 DGADMP CCCc1ccc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000567286112 435304983 /nfs/dbraw/zinc/30/49/83/435304983.db2.gz APZBQTCAUKXGCC-QGZVFWFLSA-N 2 1 316.489 3.324 20 0 DGADMP CCCc1ccc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000567286112 435304987 /nfs/dbraw/zinc/30/49/87/435304987.db2.gz APZBQTCAUKXGCC-QGZVFWFLSA-N 2 1 316.489 3.324 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc2c1CCOC2 ZINC000639500846 435321285 /nfs/dbraw/zinc/32/12/85/435321285.db2.gz QLHALKTZXSDHIL-GOSISDBHSA-N 2 1 302.462 3.066 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1CCOC2 ZINC000639500846 435321289 /nfs/dbraw/zinc/32/12/89/435321289.db2.gz QLHALKTZXSDHIL-GOSISDBHSA-N 2 1 302.462 3.066 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1CCOC2 ZINC000639500846 435321296 /nfs/dbraw/zinc/32/12/96/435321296.db2.gz QLHALKTZXSDHIL-GOSISDBHSA-N 2 1 302.462 3.066 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000639515556 435326230 /nfs/dbraw/zinc/32/62/30/435326230.db2.gz UFDRLYULMZBMKF-RAUXBKROSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515556 435326235 /nfs/dbraw/zinc/32/62/35/435326235.db2.gz UFDRLYULMZBMKF-RAUXBKROSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515556 435326240 /nfs/dbraw/zinc/32/62/40/435326240.db2.gz UFDRLYULMZBMKF-RAUXBKROSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515556 435326244 /nfs/dbraw/zinc/32/62/44/435326244.db2.gz UFDRLYULMZBMKF-RAUXBKROSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515556 435326249 /nfs/dbraw/zinc/32/62/49/435326249.db2.gz UFDRLYULMZBMKF-RAUXBKROSA-N 2 1 316.489 3.396 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510469 435327111 /nfs/dbraw/zinc/32/71/11/435327111.db2.gz DVXPWTWXMCPENP-OAHLLOKOSA-N 2 1 313.445 3.017 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510469 435327115 /nfs/dbraw/zinc/32/71/15/435327115.db2.gz DVXPWTWXMCPENP-OAHLLOKOSA-N 2 1 313.445 3.017 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510469 435327120 /nfs/dbraw/zinc/32/71/20/435327120.db2.gz DVXPWTWXMCPENP-OAHLLOKOSA-N 2 1 313.445 3.017 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510469 435327124 /nfs/dbraw/zinc/32/71/24/435327124.db2.gz DVXPWTWXMCPENP-OAHLLOKOSA-N 2 1 313.445 3.017 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C2 ZINC000643498313 435336057 /nfs/dbraw/zinc/33/60/57/435336057.db2.gz VSXYLBLFLSDMKZ-HXUWFJFHSA-N 2 1 309.457 3.099 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502397 435339253 /nfs/dbraw/zinc/33/92/53/435339253.db2.gz FHILVLJKIMDYHQ-GXTWGEPZSA-N 2 1 300.368 3.368 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000567662324 435340360 /nfs/dbraw/zinc/34/03/60/435340360.db2.gz HWIVDTSSANFFKY-IAGOWNOFSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000643521618 435341673 /nfs/dbraw/zinc/34/16/73/435341673.db2.gz QFPHEBIHCJOHEG-RYUDHWBXSA-N 2 1 302.340 3.378 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCC3)cc1 ZINC000643529039 435343588 /nfs/dbraw/zinc/34/35/88/435343588.db2.gz TVJHITGEWVWXMD-RISCZKNCSA-N 2 1 317.458 3.133 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(N)ccc2O1 ZINC000643532785 435344344 /nfs/dbraw/zinc/34/43/44/435344344.db2.gz HVPUYAIRRLVDOA-ZOBUZTSGSA-N 2 1 315.461 3.087 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(N)ccc2O1 ZINC000643532785 435344348 /nfs/dbraw/zinc/34/43/48/435344348.db2.gz HVPUYAIRRLVDOA-ZOBUZTSGSA-N 2 1 315.461 3.087 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1)CC1CC1 ZINC000639558028 435344723 /nfs/dbraw/zinc/34/47/23/435344723.db2.gz BBSDKVWBNJLUIF-LPHOPBHVSA-N 2 1 308.510 3.245 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000643546654 435348323 /nfs/dbraw/zinc/34/83/23/435348323.db2.gz SNJMSEYSPWHNRU-KGLIPLIRSA-N 2 1 304.434 3.029 20 0 DGADMP COc1ncc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643548148 435348378 /nfs/dbraw/zinc/34/83/78/435348378.db2.gz NBFXJJFYDQCNSE-DGCLKSJQSA-N 2 1 309.841 3.069 20 0 DGADMP COc1ncc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643548150 435349735 /nfs/dbraw/zinc/34/97/35/435349735.db2.gz NBFXJJFYDQCNSE-YPMHNXCESA-N 2 1 309.841 3.069 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000608054892 435349939 /nfs/dbraw/zinc/34/99/39/435349939.db2.gz UQMXDASVYVQOQV-HNNXBMFYSA-N 2 1 312.404 3.150 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1C(C)(C)C ZINC000535838784 435359867 /nfs/dbraw/zinc/35/98/67/435359867.db2.gz FZNJVFYQOPQLAO-CVEARBPZSA-N 2 1 304.478 3.091 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654945 435362939 /nfs/dbraw/zinc/36/29/39/435362939.db2.gz QAUQAMPIHHPIDN-SESVDKBCSA-N 2 1 323.484 3.415 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000568176900 435400770 /nfs/dbraw/zinc/40/07/70/435400770.db2.gz HXWDAHLAXVFUJP-QGZVFWFLSA-N 2 1 319.836 3.159 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000568176900 435400776 /nfs/dbraw/zinc/40/07/76/435400776.db2.gz HXWDAHLAXVFUJP-QGZVFWFLSA-N 2 1 319.836 3.159 20 0 DGADMP COc1cc2c(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)cc[nH+]c2cc1F ZINC000480107671 435366495 /nfs/dbraw/zinc/36/64/95/435366495.db2.gz IRWFVHNUYFHASS-BXUZGUMPSA-N 2 1 303.381 3.277 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000536067749 435369290 /nfs/dbraw/zinc/36/92/90/435369290.db2.gz YJHCUSDUTMJJAV-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000536067749 435369297 /nfs/dbraw/zinc/36/92/97/435369297.db2.gz YJHCUSDUTMJJAV-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095974 435376526 /nfs/dbraw/zinc/37/65/26/435376526.db2.gz ROXKDAFVYQMFHF-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095974 435376533 /nfs/dbraw/zinc/37/65/33/435376533.db2.gz ROXKDAFVYQMFHF-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513095974 435376541 /nfs/dbraw/zinc/37/65/41/435376541.db2.gz ROXKDAFVYQMFHF-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513095974 435376547 /nfs/dbraw/zinc/37/65/47/435376547.db2.gz ROXKDAFVYQMFHF-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000513116540 435377168 /nfs/dbraw/zinc/37/71/68/435377168.db2.gz HEDIEXXQGLDUGE-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000513116540 435377175 /nfs/dbraw/zinc/37/71/75/435377175.db2.gz HEDIEXXQGLDUGE-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000513116540 435377182 /nfs/dbraw/zinc/37/71/82/435377182.db2.gz HEDIEXXQGLDUGE-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000513116540 435377187 /nfs/dbraw/zinc/37/71/87/435377187.db2.gz HEDIEXXQGLDUGE-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP Cc1nccnc1CN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000639675981 435389023 /nfs/dbraw/zinc/38/90/23/435389023.db2.gz KDLJGPXUOKBTCS-UHFFFAOYSA-N 2 1 321.428 3.116 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)CC2 ZINC000480697778 435391316 /nfs/dbraw/zinc/39/13/16/435391316.db2.gz LFLUFNBXZUUYOF-LPHOPBHVSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513511934 435392733 /nfs/dbraw/zinc/39/27/33/435392733.db2.gz MACYVYNAWJDEHD-HKUYNNGSSA-N 2 1 309.457 3.472 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000480754251 435392950 /nfs/dbraw/zinc/39/29/50/435392950.db2.gz CUYZYTWEDIURLD-INIZCTEOSA-N 2 1 304.478 3.184 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000482089179 435452293 /nfs/dbraw/zinc/45/22/93/435452293.db2.gz PIHHKJRAAPLRRJ-MAUKXSAKSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000568631920 435457163 /nfs/dbraw/zinc/45/71/63/435457163.db2.gz DKMUYGWHEWZLBK-RKDXNWHRSA-N 2 1 305.647 3.318 20 0 DGADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000644569201 435460532 /nfs/dbraw/zinc/46/05/32/435460532.db2.gz AFKSORQKBMVORP-HNNXBMFYSA-N 2 1 323.868 3.133 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(-c3ccccc3)nc1)CC[NH2+]CC2 ZINC000515413378 435480928 /nfs/dbraw/zinc/48/09/28/435480928.db2.gz NDANEONDGDPIPJ-MRXNPFEDSA-N 2 1 322.456 3.108 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000537848789 435470666 /nfs/dbraw/zinc/47/06/66/435470666.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+](CCC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1)CC1CC1 ZINC000537848789 435470674 /nfs/dbraw/zinc/47/06/74/435470674.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+](CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1)CC1CC1 ZINC000537848789 435470684 /nfs/dbraw/zinc/47/06/84/435470684.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 3 1 321.553 3.305 20 0 DGADMP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000537848789 435470692 /nfs/dbraw/zinc/47/06/92/435470692.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 2 1 321.553 3.305 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000537848789 435470700 /nfs/dbraw/zinc/47/07/00/435470700.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 2 1 321.553 3.305 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2C)[C@@H](C)C1 ZINC000537957962 435474736 /nfs/dbraw/zinc/47/47/36/435474736.db2.gz AVZJHCRVRVUDMP-AZUAARDMSA-N 2 1 318.505 3.264 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000482719200 435479504 /nfs/dbraw/zinc/47/95/04/435479504.db2.gz ZOZJJDQYUFGZCF-OTWHNJEPSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000482719200 435479510 /nfs/dbraw/zinc/47/95/10/435479510.db2.gz ZOZJJDQYUFGZCF-OTWHNJEPSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000482719200 435479513 /nfs/dbraw/zinc/47/95/13/435479513.db2.gz ZOZJJDQYUFGZCF-OTWHNJEPSA-N 2 1 310.526 3.370 20 0 DGADMP c1csc(CC2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000639984291 435479565 /nfs/dbraw/zinc/47/95/65/435479565.db2.gz CXBMSLXRCXNNFP-UHFFFAOYSA-N 2 1 307.507 3.274 20 0 DGADMP CC(C)[NH2+]CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000568499301 435441953 /nfs/dbraw/zinc/44/19/53/435441953.db2.gz FXGUMKQXRUMLLY-OWZKRDHZSA-N 2 1 315.505 3.160 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000568499301 435441964 /nfs/dbraw/zinc/44/19/64/435441964.db2.gz FXGUMKQXRUMLLY-OWZKRDHZSA-N 3 1 315.505 3.160 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000568499301 435441972 /nfs/dbraw/zinc/44/19/72/435441972.db2.gz FXGUMKQXRUMLLY-OWZKRDHZSA-N 3 1 315.505 3.160 20 0 DGADMP COC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000483251651 435505632 /nfs/dbraw/zinc/50/56/32/435505632.db2.gz SPLLBCYQEXJMCO-AEFFLSMTSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000483251651 435505633 /nfs/dbraw/zinc/50/56/33/435505633.db2.gz SPLLBCYQEXJMCO-AEFFLSMTSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000483251651 435505635 /nfs/dbraw/zinc/50/56/35/435505635.db2.gz SPLLBCYQEXJMCO-AEFFLSMTSA-N 2 1 306.494 3.284 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000515992694 435508856 /nfs/dbraw/zinc/50/88/56/435508856.db2.gz YPRDBOGCKPJIOC-TWMKSMIVSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000515992694 435508860 /nfs/dbraw/zinc/50/88/60/435508860.db2.gz YPRDBOGCKPJIOC-TWMKSMIVSA-N 2 1 312.498 3.064 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000516436063 435531752 /nfs/dbraw/zinc/53/17/52/435531752.db2.gz PMRBHGFYAFUNOP-QZTJIDSGSA-N 2 1 306.494 3.193 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000483842380 435532756 /nfs/dbraw/zinc/53/27/56/435532756.db2.gz SINPPHHPZODCCE-RNQOJCNYSA-N 2 1 316.489 3.393 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](CCCc2ccccc2OC)CC1 ZINC000640018416 435490005 /nfs/dbraw/zinc/49/00/05/435490005.db2.gz ZSEKUUWWSKMQIJ-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000640017570 435490089 /nfs/dbraw/zinc/49/00/89/435490089.db2.gz OFYMZLBDDPQNMW-UHFFFAOYSA-N 2 1 317.477 3.130 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000569026262 435497779 /nfs/dbraw/zinc/49/77/79/435497779.db2.gz LFIYLNYVDZTZFA-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000569026262 435497782 /nfs/dbraw/zinc/49/77/82/435497782.db2.gz LFIYLNYVDZTZFA-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000515710560 435500719 /nfs/dbraw/zinc/50/07/19/435500719.db2.gz RNHIOURUFYBKKY-KRWDZBQOSA-N 2 1 320.452 3.388 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000569706645 435554939 /nfs/dbraw/zinc/55/49/39/435554939.db2.gz QZJXZMGIQOGKOI-CQSZACIVSA-N 2 1 319.836 3.332 20 0 DGADMP c1nc2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc2[nH]1 ZINC000539712803 435564486 /nfs/dbraw/zinc/56/44/86/435564486.db2.gz NHEFUZPQMDWIFS-UHFFFAOYSA-N 2 1 320.440 3.449 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000540188836 435592180 /nfs/dbraw/zinc/59/21/80/435592180.db2.gz PLFVWPYNYOIERQ-SMDDNHRTSA-N 2 1 301.261 3.466 20 0 DGADMP CC(C)[N@H+]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000649374044 435572689 /nfs/dbraw/zinc/57/26/89/435572689.db2.gz JLKHDAIDUBNCPK-SFHVURJKSA-N 2 1 323.525 3.007 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000517078125 435574511 /nfs/dbraw/zinc/57/45/11/435574511.db2.gz NKISNSDGSYOPLH-IAGOWNOFSA-N 2 1 317.477 3.034 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000539852187 435576137 /nfs/dbraw/zinc/57/61/37/435576137.db2.gz OSKFUOHYFNSXLU-LJQANCHMSA-N 2 1 308.510 3.413 20 0 DGADMP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCCc1cncn1C ZINC000569985742 435577287 /nfs/dbraw/zinc/57/72/87/435577287.db2.gz RNBHWCQXDKLCRS-UONOGXRCSA-N 2 1 301.409 3.500 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@@H]1[NH3+] ZINC000649417025 435582917 /nfs/dbraw/zinc/58/29/17/435582917.db2.gz UVNSTDQGURYPJQ-HKUYNNGSSA-N 2 1 312.461 3.048 20 0 DGADMP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418269 435583551 /nfs/dbraw/zinc/58/35/51/435583551.db2.gz SQMMCIYCVQUGQX-ILXRZTDVSA-N 2 1 323.506 3.062 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418269 435583554 /nfs/dbraw/zinc/58/35/54/435583554.db2.gz SQMMCIYCVQUGQX-ILXRZTDVSA-N 2 1 323.506 3.062 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Cl)cc1Br ZINC000569577178 435544958 /nfs/dbraw/zinc/54/49/58/435544958.db2.gz IZNDKJLHZQQNPL-DTWKUNHWSA-N 2 1 305.647 3.318 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000570369704 435613286 /nfs/dbraw/zinc/61/32/86/435613286.db2.gz XALDNFALCJMFFF-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000570369704 435613289 /nfs/dbraw/zinc/61/32/89/435613289.db2.gz XALDNFALCJMFFF-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570369704 435613290 /nfs/dbraw/zinc/61/32/90/435613290.db2.gz XALDNFALCJMFFF-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP CCCCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000486801046 435615661 /nfs/dbraw/zinc/61/56/61/435615661.db2.gz KOBBNSWAAYBNKY-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cncc(C)n2)cc1 ZINC000649576178 435630284 /nfs/dbraw/zinc/63/02/84/435630284.db2.gz OVEWTKKIYKQLLJ-OAHLLOKOSA-N 2 1 321.428 3.172 20 0 DGADMP Cc1ccccc1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530226 435597480 /nfs/dbraw/zinc/59/74/80/435597480.db2.gz AQIIMIPNLMFBRM-UHFFFAOYSA-N 2 1 317.477 3.131 20 0 DGADMP Cc1ccccc1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530226 435597485 /nfs/dbraw/zinc/59/74/85/435597485.db2.gz AQIIMIPNLMFBRM-UHFFFAOYSA-N 2 1 317.477 3.131 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnn(C(C)(C)C)c1 ZINC000640533170 435598647 /nfs/dbraw/zinc/59/86/47/435598647.db2.gz DRCPZDRPRYGBKX-UHFFFAOYSA-N 2 1 306.498 3.336 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827589 435650967 /nfs/dbraw/zinc/65/09/67/435650967.db2.gz IADBPMXFWDPUIP-PXNSSMCTSA-N 2 1 324.468 3.179 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000570800877 435652342 /nfs/dbraw/zinc/65/23/42/435652342.db2.gz AMYRJBXKNCKEBL-IAGOWNOFSA-N 2 1 324.472 3.244 20 0 DGADMP CC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000518768216 435653251 /nfs/dbraw/zinc/65/32/51/435653251.db2.gz GRJQAPLRTHLYON-OAHLLOKOSA-N 2 1 300.406 3.132 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813524 435654429 /nfs/dbraw/zinc/65/44/29/435654429.db2.gz QJCOPQGYEBFVAH-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813524 435654432 /nfs/dbraw/zinc/65/44/32/435654432.db2.gz QJCOPQGYEBFVAH-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813524 435654436 /nfs/dbraw/zinc/65/44/36/435654436.db2.gz QJCOPQGYEBFVAH-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000570813524 435654441 /nfs/dbraw/zinc/65/44/41/435654441.db2.gz QJCOPQGYEBFVAH-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000519175566 435673718 /nfs/dbraw/zinc/67/37/18/435673718.db2.gz NKFMEKNPUHAGKA-LJQANCHMSA-N 2 1 312.461 3.256 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000519175566 435673722 /nfs/dbraw/zinc/67/37/22/435673722.db2.gz NKFMEKNPUHAGKA-LJQANCHMSA-N 2 1 312.461 3.256 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000519521408 435685160 /nfs/dbraw/zinc/68/51/60/435685160.db2.gz IHGWRXNNRRHPFE-XLIONFOSSA-N 2 1 318.505 3.203 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222399 435689329 /nfs/dbraw/zinc/68/93/29/435689329.db2.gz MWJJITFOCSWURI-NVXWUHKLSA-N 2 1 310.445 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222399 435689333 /nfs/dbraw/zinc/68/93/33/435689333.db2.gz MWJJITFOCSWURI-NVXWUHKLSA-N 2 1 310.445 3.161 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1F ZINC000571217299 435687906 /nfs/dbraw/zinc/68/79/06/435687906.db2.gz FMUOLSONYVYKLE-HUUCEWRRSA-N 2 1 310.457 3.331 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000571217299 435687910 /nfs/dbraw/zinc/68/79/10/435687910.db2.gz FMUOLSONYVYKLE-HUUCEWRRSA-N 2 1 310.457 3.331 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649885940 435730953 /nfs/dbraw/zinc/73/09/53/435730953.db2.gz FPKUWWIBPDIOER-UHFFFAOYSA-N 2 1 309.335 3.489 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Sc1ccccc1 ZINC000655718861 435747524 /nfs/dbraw/zinc/74/75/24/435747524.db2.gz FAHNDYLGWSIRAY-WBVHZDCISA-N 2 1 320.502 3.010 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](CCCC[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649906686 435749107 /nfs/dbraw/zinc/74/91/07/435749107.db2.gz AIBFRXBXTGPMNR-OKILXGFUSA-N 2 1 320.374 3.229 20 0 DGADMP FC1(F)C[C@@]12CC[N@@H+](CCCC[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649906686 435749116 /nfs/dbraw/zinc/74/91/16/435749116.db2.gz AIBFRXBXTGPMNR-OKILXGFUSA-N 2 1 320.374 3.229 20 0 DGADMP FC1(F)C[C@@]12CC[N@H+](CCCC[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649906686 435749122 /nfs/dbraw/zinc/74/91/22/435749122.db2.gz AIBFRXBXTGPMNR-OKILXGFUSA-N 2 1 320.374 3.229 20 0 DGADMP CSc1cc(C)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655723791 435750400 /nfs/dbraw/zinc/75/04/00/435750400.db2.gz STMKKMYULDPUPT-QGZVFWFLSA-N 2 1 320.502 3.060 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000549236512 435751742 /nfs/dbraw/zinc/75/17/42/435751742.db2.gz BWEWECRLAQEPGU-OIISXLGYSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000549236512 435751750 /nfs/dbraw/zinc/75/17/50/435751750.db2.gz BWEWECRLAQEPGU-OIISXLGYSA-N 2 1 304.503 3.381 20 0 DGADMP CC[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655726816 435753477 /nfs/dbraw/zinc/75/34/77/435753477.db2.gz PYTZEKZAWQSKDI-MAUKXSAKSA-N 2 1 324.415 3.259 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000519713288 435704097 /nfs/dbraw/zinc/70/40/97/435704097.db2.gz PBCKIAYTGGAVHX-SFHVURJKSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651678965 435787836 /nfs/dbraw/zinc/78/78/36/435787836.db2.gz KICWSXVVHIDEED-HUUCEWRRSA-N 2 1 301.434 3.285 20 0 DGADMP CCCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ncsc2C1 ZINC000646130369 435787952 /nfs/dbraw/zinc/78/79/52/435787952.db2.gz QNCDEIQVYOFAGL-OAHLLOKOSA-N 2 1 318.490 3.308 20 0 DGADMP CCCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ncsc2C1 ZINC000646130369 435787957 /nfs/dbraw/zinc/78/79/57/435787957.db2.gz QNCDEIQVYOFAGL-OAHLLOKOSA-N 2 1 318.490 3.308 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655776357 435790769 /nfs/dbraw/zinc/79/07/69/435790769.db2.gz IETQVALZMXHTRT-RTBURBONSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000655774426 435791138 /nfs/dbraw/zinc/79/11/38/435791138.db2.gz BFXAOGOWLBPIET-SFNKJDCFSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1)[NH+]1CCCC1 ZINC000550096741 435792103 /nfs/dbraw/zinc/79/21/03/435792103.db2.gz LJPAAEMQNOZCGW-FGTMMUONSA-N 2 1 324.509 3.353 20 0 DGADMP COc1cccc(SCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000660542905 435797521 /nfs/dbraw/zinc/79/75/21/435797521.db2.gz XTDXOHWKEAWBQC-XYPWUTKMSA-N 2 1 320.502 3.344 20 0 DGADMP c1cc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2s1 ZINC000655793142 435799779 /nfs/dbraw/zinc/79/97/79/435799779.db2.gz UQRWCMJQPUSULW-KRWDZBQOSA-N 2 1 316.470 3.244 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000551006710 435815527 /nfs/dbraw/zinc/81/55/27/435815527.db2.gz IKMHEYLKSDUFQJ-RTBURBONSA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000551006710 435815532 /nfs/dbraw/zinc/81/55/32/435815532.db2.gz IKMHEYLKSDUFQJ-RTBURBONSA-N 2 1 312.461 3.088 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551032566 435819024 /nfs/dbraw/zinc/81/90/24/435819024.db2.gz VXLUXKSEWAVKJF-SXLOBPIMSA-N 2 1 318.505 3.456 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551032566 435819030 /nfs/dbraw/zinc/81/90/30/435819030.db2.gz VXLUXKSEWAVKJF-SXLOBPIMSA-N 2 1 318.505 3.456 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000551083295 435820423 /nfs/dbraw/zinc/82/04/23/435820423.db2.gz APSQPQUJSTYZER-XUVXKRRUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000551083295 435820430 /nfs/dbraw/zinc/82/04/30/435820430.db2.gz APSQPQUJSTYZER-XUVXKRRUSA-N 2 1 316.489 3.353 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000655818494 435820533 /nfs/dbraw/zinc/82/05/33/435820533.db2.gz TVDBWAXQUNBFFN-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000655818494 435820541 /nfs/dbraw/zinc/82/05/41/435820541.db2.gz TVDBWAXQUNBFFN-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660473668 435767442 /nfs/dbraw/zinc/76/74/42/435767442.db2.gz SIJSPHOHEAZUDU-ICSRJNTNSA-N 2 1 316.489 3.194 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000660485277 435769410 /nfs/dbraw/zinc/76/94/10/435769410.db2.gz DYSNXGIMQUAMDU-IYWMVGAKSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000660485277 435769419 /nfs/dbraw/zinc/76/94/19/435769419.db2.gz DYSNXGIMQUAMDU-IYWMVGAKSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000660485277 435769429 /nfs/dbraw/zinc/76/94/29/435769429.db2.gz DYSNXGIMQUAMDU-IYWMVGAKSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655752489 435772073 /nfs/dbraw/zinc/77/20/73/435772073.db2.gz YUGHZARWLAXTCW-VNQPRFMTSA-N 2 1 302.466 3.089 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655752489 435772080 /nfs/dbraw/zinc/77/20/80/435772080.db2.gz YUGHZARWLAXTCW-VNQPRFMTSA-N 2 1 302.466 3.089 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc1C[NH+]1CCCCC1 ZINC000664735815 435775657 /nfs/dbraw/zinc/77/56/57/435775657.db2.gz XYOAMMXJRQRWQZ-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP c1c2cnccc2oc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000651650955 435776945 /nfs/dbraw/zinc/77/69/45/435776945.db2.gz GHERSIZAQXEGJV-RDTXWAMCSA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000651650955 435776960 /nfs/dbraw/zinc/77/69/60/435776960.db2.gz GHERSIZAQXEGJV-RDTXWAMCSA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000651650955 435776965 /nfs/dbraw/zinc/77/69/65/435776965.db2.gz GHERSIZAQXEGJV-RDTXWAMCSA-N 2 1 311.429 3.277 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000551029406 435820962 /nfs/dbraw/zinc/82/09/62/435820962.db2.gz CPAIHBJFQGIVCQ-LJQANCHMSA-N 2 1 321.553 3.353 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103556 435782021 /nfs/dbraw/zinc/78/20/21/435782021.db2.gz XLUVLJHEXMMBRQ-AWEZNQCLSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103556 435782024 /nfs/dbraw/zinc/78/20/24/435782024.db2.gz XLUVLJHEXMMBRQ-AWEZNQCLSA-N 2 1 308.853 3.198 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCc3c1cccc3Cl)CCO2 ZINC000646106000 435782839 /nfs/dbraw/zinc/78/28/39/435782839.db2.gz OOWIWMWUYPIVQB-KRWDZBQOSA-N 2 1 320.864 3.124 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCc3c1cccc3Cl)CCO2 ZINC000646106000 435782847 /nfs/dbraw/zinc/78/28/47/435782847.db2.gz OOWIWMWUYPIVQB-KRWDZBQOSA-N 2 1 320.864 3.124 20 0 DGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104603 435782969 /nfs/dbraw/zinc/78/29/69/435782969.db2.gz SCXYUGJPMDDETN-KRWDZBQOSA-N 2 1 306.425 3.073 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000641824581 435834927 /nfs/dbraw/zinc/83/49/27/435834927.db2.gz UOIOTDNKOOUIDL-LPHOPBHVSA-N 2 1 311.429 3.211 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCOc1ccc(F)cc1)C2 ZINC000660656470 435841481 /nfs/dbraw/zinc/84/14/81/435841481.db2.gz SKMDFALVWGQMFQ-SFHVURJKSA-N 2 1 306.425 3.012 20 0 DGADMP COc1ccc(Cl)cc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654355 435841868 /nfs/dbraw/zinc/84/18/68/435841868.db2.gz ZTAPSXVOLYQZTD-KRWDZBQOSA-N 2 1 308.853 3.266 20 0 DGADMP COc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1SC ZINC000660659069 435843487 /nfs/dbraw/zinc/84/34/87/435843487.db2.gz MIPXYKAUTVVERE-SFHVURJKSA-N 2 1 320.502 3.335 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660663617 435846666 /nfs/dbraw/zinc/84/66/66/435846666.db2.gz OHIVZROHFATIRW-VQIMIIECSA-N 2 1 302.462 3.216 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660863 435847313 /nfs/dbraw/zinc/84/73/13/435847313.db2.gz AZKKSBQZOQIHER-HXUWFJFHSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660863 435847316 /nfs/dbraw/zinc/84/73/16/435847316.db2.gz AZKKSBQZOQIHER-HXUWFJFHSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660863 435847322 /nfs/dbraw/zinc/84/73/22/435847322.db2.gz AZKKSBQZOQIHER-HXUWFJFHSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660660863 435847325 /nfs/dbraw/zinc/84/73/25/435847325.db2.gz AZKKSBQZOQIHER-HXUWFJFHSA-N 3 1 324.472 3.098 20 0 DGADMP C[C@@H](CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC000660662350 435849107 /nfs/dbraw/zinc/84/91/07/435849107.db2.gz IRANSQQVTSZTEW-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000651867013 435849879 /nfs/dbraw/zinc/84/98/79/435849879.db2.gz YXFLDIFOISYDOH-UHFFFAOYSA-N 2 1 300.393 3.356 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000651867013 435849883 /nfs/dbraw/zinc/84/98/83/435849883.db2.gz YXFLDIFOISYDOH-UHFFFAOYSA-N 2 1 300.393 3.356 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000572722262 435860668 /nfs/dbraw/zinc/86/06/68/435860668.db2.gz VVTJKVAGFQGLHM-SNPRPXQTSA-N 2 1 323.278 3.094 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000572722262 435860674 /nfs/dbraw/zinc/86/06/74/435860674.db2.gz VVTJKVAGFQGLHM-SNPRPXQTSA-N 2 1 323.278 3.094 20 0 DGADMP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000572751556 435862088 /nfs/dbraw/zinc/86/20/88/435862088.db2.gz MKLFEWJOZPCRND-YVSFHVDLSA-N 2 1 304.478 3.023 20 0 DGADMP CC[N@@H+](CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910337 435863267 /nfs/dbraw/zinc/86/32/67/435863267.db2.gz PUYNKTWUTCAAOT-IEBWSBKVSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910337 435863272 /nfs/dbraw/zinc/86/32/72/435863272.db2.gz PUYNKTWUTCAAOT-IEBWSBKVSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910337 435863279 /nfs/dbraw/zinc/86/32/79/435863279.db2.gz PUYNKTWUTCAAOT-IEBWSBKVSA-N 2 1 307.526 3.248 20 0 DGADMP CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000651912349 435864632 /nfs/dbraw/zinc/86/46/32/435864632.db2.gz USVKOIWIVVBCSD-KRWDZBQOSA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000655937558 435864617 /nfs/dbraw/zinc/86/46/17/435864617.db2.gz AESWTJPFJUARMI-CGTJXYLNSA-N 2 1 302.462 3.378 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777950 435864918 /nfs/dbraw/zinc/86/49/18/435864918.db2.gz UMQHZOLDHMQYNA-LULLPPNCSA-N 2 1 319.493 3.004 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777950 435864921 /nfs/dbraw/zinc/86/49/21/435864921.db2.gz UMQHZOLDHMQYNA-LULLPPNCSA-N 2 1 319.493 3.004 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651983199 435883856 /nfs/dbraw/zinc/88/38/56/435883856.db2.gz SGBBWBIGZPDRLL-FUHIMQAGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651983199 435883860 /nfs/dbraw/zinc/88/38/60/435883860.db2.gz SGBBWBIGZPDRLL-FUHIMQAGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656195759 435908431 /nfs/dbraw/zinc/90/84/31/435908431.db2.gz GIFGEOLZYCGELJ-SZVBFZGTSA-N 3 1 301.478 3.072 20 0 DGADMP COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000665240801 435925861 /nfs/dbraw/zinc/92/58/61/435925861.db2.gz SSVFBNSLDKDABA-IEZWGBDMSA-N 2 1 320.477 3.283 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCCC1 ZINC000665246300 435926656 /nfs/dbraw/zinc/92/66/56/435926656.db2.gz BCVXPVVBEKCKKM-SNVBAGLBSA-N 2 1 315.280 3.359 20 0 DGADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254737 435930392 /nfs/dbraw/zinc/93/03/92/435930392.db2.gz YQCIOYFPZNCGOV-DQEVTTJGSA-N 2 1 320.452 3.066 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257864 435932316 /nfs/dbraw/zinc/93/23/16/435932316.db2.gz WTNYKZIJBHEUMP-NCXUSEDFSA-N 2 1 320.452 3.064 20 0 DGADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257616 435933113 /nfs/dbraw/zinc/93/31/13/435933113.db2.gz OIMCVVBMCKEXDB-GDIGMMSISA-N 2 1 320.452 3.066 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2ccccc12 ZINC000665264841 435934938 /nfs/dbraw/zinc/93/49/38/435934938.db2.gz JCFQDUKINSDWJJ-OXQOHEQNSA-N 2 1 321.468 3.269 20 0 DGADMP CCc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362588 435958189 /nfs/dbraw/zinc/95/81/89/435958189.db2.gz KKNBCVWGRZHBPM-VAMGGRTRSA-N 2 1 316.489 3.152 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000650705695 435994388 /nfs/dbraw/zinc/99/43/88/435994388.db2.gz RIIYDHNGJZCIES-OTWHNJEPSA-N 2 1 302.462 3.022 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000652358616 435958359 /nfs/dbraw/zinc/95/83/59/435958359.db2.gz XFKHKHIFOWSLHM-LJQANCHMSA-N 2 1 316.489 3.482 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661196077 435994349 /nfs/dbraw/zinc/99/43/49/435994349.db2.gz AVXHIUKPCYOVIG-GOSISDBHSA-N 2 1 313.445 3.261 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171500 435959142 /nfs/dbraw/zinc/95/91/42/435959142.db2.gz LXAKZQYQLOEXQV-MDZRGWNJSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@H]1CC[NH3+] ZINC000652356250 435959572 /nfs/dbraw/zinc/95/95/72/435959572.db2.gz YPDBHTNWIKUSLG-FZMZJTMJSA-N 2 1 301.356 3.050 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362801 435960053 /nfs/dbraw/zinc/96/00/53/435960053.db2.gz PWNNRGHFAQWMBA-UHOSZYNNSA-N 2 1 302.462 3.164 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000647186424 435964595 /nfs/dbraw/zinc/96/45/95/435964595.db2.gz MBEHJLPFSIJLHQ-YJBOKZPZSA-N 2 1 314.429 3.179 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Cl ZINC000650707235 435994563 /nfs/dbraw/zinc/99/45/63/435994563.db2.gz BKGPOEGHHAQAFN-LZLYRXPVSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000647195820 435968895 /nfs/dbraw/zinc/96/88/95/435968895.db2.gz FIZDIVMUTHFAMA-ISARSNTHSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707730 435994634 /nfs/dbraw/zinc/99/46/34/435994634.db2.gz LZQJWQXUAYTKBH-JENIJYKNSA-N 2 1 302.462 3.022 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647200257 435971939 /nfs/dbraw/zinc/97/19/39/435971939.db2.gz ULDOVRUAJZQRCQ-SJORKVTESA-N 2 1 318.509 3.282 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200257 435971944 /nfs/dbraw/zinc/97/19/44/435971944.db2.gz ULDOVRUAJZQRCQ-SJORKVTESA-N 2 1 318.509 3.282 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647200255 435972580 /nfs/dbraw/zinc/97/25/80/435972580.db2.gz ULDOVRUAJZQRCQ-IAGOWNOFSA-N 2 1 318.509 3.282 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200255 435972582 /nfs/dbraw/zinc/97/25/82/435972582.db2.gz ULDOVRUAJZQRCQ-IAGOWNOFSA-N 2 1 318.509 3.282 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708304 435994972 /nfs/dbraw/zinc/99/49/72/435994972.db2.gz XHRPSRIYFVQWGP-GSEOLPGOSA-N 2 1 316.489 3.399 20 0 DGADMP CC[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708001 435995154 /nfs/dbraw/zinc/99/51/54/435995154.db2.gz RIQRLHTWUYWCCP-GTAWCEEGSA-N 2 1 316.489 3.399 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000647249335 435992816 /nfs/dbraw/zinc/99/28/16/435992816.db2.gz SMNTXYGITCWKQU-QRVBRYPASA-N 2 1 314.473 3.023 20 0 DGADMP Cc1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC2CC2)cn1 ZINC000652341731 435953231 /nfs/dbraw/zinc/95/32/31/435953231.db2.gz LTVRRZZAROTIBX-UHFFFAOYSA-N 2 1 321.468 3.448 20 0 DGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348112 435953253 /nfs/dbraw/zinc/95/32/53/435953253.db2.gz UTCNVGHWKIRCPF-SIUPPRGNSA-N 2 1 306.425 3.105 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000652337041 435954199 /nfs/dbraw/zinc/95/41/99/435954199.db2.gz CESJVQJILUJTAY-OAQYLSRUSA-N 2 1 322.452 3.376 20 0 DGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349137 435956107 /nfs/dbraw/zinc/95/61/07/435956107.db2.gz BXCUTOWZEIUJMF-UAGQMJEPSA-N 2 1 320.502 3.127 20 0 DGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1CC[NH3+] ZINC000652354131 435956153 /nfs/dbraw/zinc/95/61/53/435956153.db2.gz NTFMGIFMJIUIEP-BBRMVZONSA-N 2 1 323.868 3.118 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661196077 435994346 /nfs/dbraw/zinc/99/43/46/435994346.db2.gz AVXHIUKPCYOVIG-GOSISDBHSA-N 2 1 313.445 3.261 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1SC ZINC000650710958 435999145 /nfs/dbraw/zinc/99/91/45/435999145.db2.gz DPIICRYCCIGOFL-DZGCQCFKSA-N 2 1 308.491 3.366 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000650723012 436005608 /nfs/dbraw/zinc/00/56/08/436005608.db2.gz GGQADGQNNXCEPP-MISYRCLQSA-N 2 1 314.473 3.425 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@H](C)C1 ZINC000650720903 436006093 /nfs/dbraw/zinc/00/60/93/436006093.db2.gz GHXLBFWYXAVNLU-NJAFHUGGSA-N 2 1 301.478 3.123 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)s1 ZINC000650722906 436006874 /nfs/dbraw/zinc/00/68/74/436006874.db2.gz DKIKODSSSWNSEC-BBWFWOEESA-N 2 1 308.491 3.226 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000650724471 436008157 /nfs/dbraw/zinc/00/81/57/436008157.db2.gz GUYCDIGKCVHJJF-WPVAHCMFSA-N 2 1 314.473 3.151 20 0 DGADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723815 436009421 /nfs/dbraw/zinc/00/94/21/436009421.db2.gz UIMGPDXJSSNUOR-RBSFLKMASA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723815 436009427 /nfs/dbraw/zinc/00/94/27/436009427.db2.gz UIMGPDXJSSNUOR-RBSFLKMASA-N 2 1 323.506 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000650723060 436009459 /nfs/dbraw/zinc/00/94/59/436009459.db2.gz HAOBDYLGJZHYHW-IXDOHACOSA-N 2 1 324.415 3.485 20 0 DGADMP CC[N@@H+](CCCN[C@@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000650741974 436013659 /nfs/dbraw/zinc/01/36/59/436013659.db2.gz OYVNUUGPMXMJLE-HNNXBMFYSA-N 2 1 304.482 3.189 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479448 436060111 /nfs/dbraw/zinc/06/01/11/436060111.db2.gz HCVSJUINRRGCTH-UYAOXDASSA-N 2 1 314.473 3.439 20 0 DGADMP CCCOc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483010 436062675 /nfs/dbraw/zinc/06/26/75/436062675.db2.gz RBPSHCRGCHTESA-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483010 436062678 /nfs/dbraw/zinc/06/26/78/436062678.db2.gz RBPSHCRGCHTESA-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000647483094 436063597 /nfs/dbraw/zinc/06/35/97/436063597.db2.gz YQKQTBWNQLYPLD-UHFFFAOYSA-N 2 1 324.852 3.074 20 0 DGADMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000647483094 436063602 /nfs/dbraw/zinc/06/36/02/436063602.db2.gz YQKQTBWNQLYPLD-UHFFFAOYSA-N 2 1 324.852 3.074 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647498897 436065699 /nfs/dbraw/zinc/06/56/99/436065699.db2.gz SUCXAYTYYIMZTD-HIFRSBDPSA-N 2 1 316.367 3.187 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@H]1[NH3+] ZINC000647498556 436066954 /nfs/dbraw/zinc/06/69/54/436066954.db2.gz KAOKKAYAIAIXKE-DZGCQCFKSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@H]1[NH3+] ZINC000647498556 436066958 /nfs/dbraw/zinc/06/69/58/436066958.db2.gz KAOKKAYAIAIXKE-DZGCQCFKSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OC ZINC000647531153 436073676 /nfs/dbraw/zinc/07/36/76/436073676.db2.gz DKNSFKNMYRTFTE-CQSZACIVSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530903 436073786 /nfs/dbraw/zinc/07/37/86/436073786.db2.gz OBQVTATVAVIOPQ-UHFFFAOYSA-N 2 1 311.429 3.070 20 0 DGADMP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1Oc1cccnc1 ZINC000647531127 436073919 /nfs/dbraw/zinc/07/39/19/436073919.db2.gz CMHDMTUFAOGRKS-UHFFFAOYSA-N 2 1 311.429 3.496 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC[NH2+]C1 ZINC000647537379 436074759 /nfs/dbraw/zinc/07/47/59/436074759.db2.gz XEPRLNAUVXIPRR-KSSFIOAISA-N 2 1 315.486 3.475 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543619 436078920 /nfs/dbraw/zinc/07/89/20/436078920.db2.gz QIMSUQYAIKRLIN-HZPDHXFCSA-N 2 1 306.425 3.046 20 0 DGADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543149 436079201 /nfs/dbraw/zinc/07/92/01/436079201.db2.gz IGOJJHLAONQEBY-MSOLQXFVSA-N 2 1 324.472 3.084 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H](NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000647548617 436080707 /nfs/dbraw/zinc/08/07/07/436080707.db2.gz KWEWOTBFULZZDE-ZWOKBUDYSA-N 3 1 315.505 3.149 20 0 DGADMP CSc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814722 436128740 /nfs/dbraw/zinc/12/87/40/436128740.db2.gz BCRQJDNYYQNJNB-UHFFFAOYSA-N 2 1 306.475 3.004 20 0 DGADMP Cc1c[nH]c(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000657311281 436128920 /nfs/dbraw/zinc/12/89/20/436128920.db2.gz IVTJRZVNYYMKPA-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000647872544 436139032 /nfs/dbraw/zinc/13/90/32/436139032.db2.gz AEYVOEIDKAOROJ-UHFFFAOYSA-N 2 1 308.809 3.007 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647886611 436143499 /nfs/dbraw/zinc/14/34/99/436143499.db2.gz AZGRDBUAKOKOLY-QGZVFWFLSA-N 2 1 302.462 3.264 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902650 436144606 /nfs/dbraw/zinc/14/46/06/436144606.db2.gz ALYRQUBFSFUITN-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901303 436145018 /nfs/dbraw/zinc/14/50/18/436145018.db2.gz LUHVCXYMKDMQJF-PMACEKPBSA-N 2 1 316.489 3.100 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657336927 436145226 /nfs/dbraw/zinc/14/52/26/436145226.db2.gz ATSVMRDRVGSROO-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657336927 436145232 /nfs/dbraw/zinc/14/52/32/436145232.db2.gz ATSVMRDRVGSROO-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000647908230 436145308 /nfs/dbraw/zinc/14/53/08/436145308.db2.gz QKJVLRPSVUETAF-FVQBIDKESA-N 2 1 312.379 3.307 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657346541 436151002 /nfs/dbraw/zinc/15/10/02/436151002.db2.gz FUBPDZJJYKSJRW-LBPRGKRZSA-N 2 1 300.431 3.227 20 0 DGADMP Fc1ccc2c(c1)[C@H](NCc1cnc3n1CCC3)CCS2 ZINC000657296626 436120890 /nfs/dbraw/zinc/12/08/90/436120890.db2.gz IXOBNDYOKOVJQX-CQSZACIVSA-N 2 1 303.406 3.295 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[C@H]1O ZINC000661621590 436122602 /nfs/dbraw/zinc/12/26/02/436122602.db2.gz NXHFVUQOAWJLQX-YRWFTTLQSA-N 2 1 316.489 3.121 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@@H]1CCCC[NH2+]1 ZINC000647800400 436124227 /nfs/dbraw/zinc/12/42/27/436124227.db2.gz ASBTZGCYVLOBLN-ILXRZTDVSA-N 2 1 306.475 3.050 20 0 DGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154949568 301021598 /nfs/dbraw/zinc/02/15/98/301021598.db2.gz BZKAVCAUTZMVMY-ZBFHGGJFSA-N 2 1 315.461 3.028 20 0 DGADMP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647959059 436158906 /nfs/dbraw/zinc/15/89/06/436158906.db2.gz UUUNICLMUFIEAT-QGZVFWFLSA-N 2 1 312.885 3.252 20 0 DGADMP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@H+](C)C(C)C ZINC000647959059 436158913 /nfs/dbraw/zinc/15/89/13/436158913.db2.gz UUUNICLMUFIEAT-QGZVFWFLSA-N 2 1 312.885 3.252 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000647959059 436158920 /nfs/dbraw/zinc/15/89/20/436158920.db2.gz UUUNICLMUFIEAT-QGZVFWFLSA-N 2 1 312.885 3.252 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000647959059 436158922 /nfs/dbraw/zinc/15/89/22/436158922.db2.gz UUUNICLMUFIEAT-QGZVFWFLSA-N 2 1 312.885 3.252 20 0 DGADMP CCc1ccc([C@H]2CCCCCN2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964279 436160224 /nfs/dbraw/zinc/16/02/24/436160224.db2.gz BCPISZQSGNHJQV-SJLPKXTDSA-N 2 1 322.493 3.460 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977662 436166818 /nfs/dbraw/zinc/16/68/18/436166818.db2.gz FWPUQSJPRDVRBT-OALUTQOASA-N 2 1 316.489 3.339 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000661706448 436162334 /nfs/dbraw/zinc/16/23/34/436162334.db2.gz KONWQNOMUXFBNO-IBGZPJMESA-N 2 1 313.445 3.254 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000661706448 436162337 /nfs/dbraw/zinc/16/23/37/436162337.db2.gz KONWQNOMUXFBNO-IBGZPJMESA-N 2 1 313.445 3.254 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)co1 ZINC000647961879 436162472 /nfs/dbraw/zinc/16/24/72/436162472.db2.gz CNEYVRCNNSWGLP-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)co1 ZINC000647961879 436162476 /nfs/dbraw/zinc/16/24/76/436162476.db2.gz CNEYVRCNNSWGLP-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647989944 436169927 /nfs/dbraw/zinc/16/99/27/436169927.db2.gz HCZAYPFVYGTQSL-CABCVRRESA-N 2 1 308.853 3.040 20 0 DGADMP Clc1cccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647989030 436170281 /nfs/dbraw/zinc/17/02/81/436170281.db2.gz AGPGKIARPSPKKT-GOSISDBHSA-N 2 1 322.880 3.493 20 0 DGADMP Clc1cccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647989030 436170286 /nfs/dbraw/zinc/17/02/86/436170286.db2.gz AGPGKIARPSPKKT-GOSISDBHSA-N 2 1 322.880 3.493 20 0 DGADMP CC(C)Cn1nccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000648003501 436175677 /nfs/dbraw/zinc/17/56/77/436175677.db2.gz IJTUXWAIRRJJNM-UHFFFAOYSA-N 2 1 306.498 3.091 20 0 DGADMP Cc1c[nH]c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000657414609 436187570 /nfs/dbraw/zinc/18/75/70/436187570.db2.gz CSKANZJDQLMKGJ-SJLPKXTDSA-N 2 1 312.461 3.108 20 0 DGADMP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000653675637 436240472 /nfs/dbraw/zinc/24/04/72/436240472.db2.gz ITLVSQUSXKKTKW-SFHVURJKSA-N 2 1 301.434 3.444 20 0 DGADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653675637 436240474 /nfs/dbraw/zinc/24/04/74/436240474.db2.gz ITLVSQUSXKKTKW-SFHVURJKSA-N 2 1 301.434 3.444 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653564004 436208453 /nfs/dbraw/zinc/20/84/53/436208453.db2.gz KZPYYNFAJWFJNL-HNNXBMFYSA-N 2 1 301.434 3.034 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653564004 436208458 /nfs/dbraw/zinc/20/84/58/436208458.db2.gz KZPYYNFAJWFJNL-HNNXBMFYSA-N 2 1 301.434 3.034 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2noc3ccccc32)C1 ZINC000653564004 436208464 /nfs/dbraw/zinc/20/84/64/436208464.db2.gz KZPYYNFAJWFJNL-HNNXBMFYSA-N 2 1 301.434 3.034 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000653564004 436208468 /nfs/dbraw/zinc/20/84/68/436208468.db2.gz KZPYYNFAJWFJNL-HNNXBMFYSA-N 2 1 301.434 3.034 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000657522151 436231315 /nfs/dbraw/zinc/23/13/15/436231315.db2.gz ADNRUFLHFPIQQU-IBGZPJMESA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159781 436287729 /nfs/dbraw/zinc/28/77/29/436287729.db2.gz KVJRAXRPTSYULT-IERDGZPVSA-N 2 1 324.468 3.432 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159781 436287734 /nfs/dbraw/zinc/28/77/34/436287734.db2.gz KVJRAXRPTSYULT-IERDGZPVSA-N 2 1 324.468 3.432 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159785 436288926 /nfs/dbraw/zinc/28/89/26/436288926.db2.gz KVJRAXRPTSYULT-KKSFZXQISA-N 2 1 324.468 3.432 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159785 436288927 /nfs/dbraw/zinc/28/89/27/436288927.db2.gz KVJRAXRPTSYULT-KKSFZXQISA-N 2 1 324.468 3.432 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000666852148 436293109 /nfs/dbraw/zinc/29/31/09/436293109.db2.gz LAHJBGPQSRRTCA-VHSXEESVSA-N 2 1 304.768 3.301 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000657751396 436294732 /nfs/dbraw/zinc/29/47/32/436294732.db2.gz IFCSUBVPQBLJRC-UYAOXDASSA-N 2 1 316.489 3.413 20 0 DGADMP Clc1ccc(OCC2CC2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666857892 436295158 /nfs/dbraw/zinc/29/51/58/436295158.db2.gz OKTOCHYPTRMANH-INIZCTEOSA-N 2 1 308.853 3.361 20 0 DGADMP Cc1[nH+]ccn1CCN1Cc2ccc(C)c(Br)c2C1 ZINC000662190334 436296271 /nfs/dbraw/zinc/29/62/71/436296271.db2.gz JLHJIKGRVXOXNE-UHFFFAOYSA-N 2 1 320.234 3.278 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)ccc1C[NH+]1CCCCC1 ZINC000662029697 436252245 /nfs/dbraw/zinc/25/22/45/436252245.db2.gz JCTJUBXKGDSXRO-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657594810 436257129 /nfs/dbraw/zinc/25/71/29/436257129.db2.gz CTCVTPQULWNVOL-RBUKOAKNSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657597205 436257390 /nfs/dbraw/zinc/25/73/90/436257390.db2.gz QXYOOWUPQMZNKF-LSTHTHJFSA-N 2 1 316.489 3.169 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCCCCC3)cc2)C1 ZINC000657596009 436257582 /nfs/dbraw/zinc/25/75/82/436257582.db2.gz TYOUBRPROJLXKM-IBGZPJMESA-N 2 1 302.462 3.066 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@@H]1C ZINC000657596403 436257981 /nfs/dbraw/zinc/25/79/81/436257981.db2.gz MYDVTDKGEJFEJF-GIYDNNGJSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000657665859 436272671 /nfs/dbraw/zinc/27/26/71/436272671.db2.gz QQSVKLSGHSDVNG-QFBILLFUSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccc(C2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666770292 436278868 /nfs/dbraw/zinc/27/88/68/436278868.db2.gz RPBAIKFYRUOYNI-VMWRSERWSA-N 2 1 302.462 3.453 20 0 DGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770716 436279724 /nfs/dbraw/zinc/27/97/24/436279724.db2.gz SWFAZNWSARXKRP-DZGCQCFKSA-N 2 1 312.404 3.341 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657966553 436347322 /nfs/dbraw/zinc/34/73/22/436347322.db2.gz HUMXZMITWXWWHG-UHOSZYNNSA-N 2 1 324.472 3.218 20 0 DGADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3ccccn3)C3(CCC3)C2)cc1 ZINC000657771881 436301178 /nfs/dbraw/zinc/30/11/78/436301178.db2.gz OVFWCFPZYQHBHS-IBGZPJMESA-N 2 1 321.468 3.474 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3ccccn3)C3(CCC3)C2)cc1 ZINC000657771881 436301181 /nfs/dbraw/zinc/30/11/81/436301181.db2.gz OVFWCFPZYQHBHS-IBGZPJMESA-N 2 1 321.468 3.474 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)[C@H](C)[NH3+] ZINC000666930239 436310050 /nfs/dbraw/zinc/31/00/50/436310050.db2.gz GYQPMJSNCGFIJF-UONOGXRCSA-N 2 1 302.393 3.230 20 0 DGADMP Cc1ccc(OCC[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249358 436310660 /nfs/dbraw/zinc/31/06/60/436310660.db2.gz UFDSBGNBRMJFID-UHFFFAOYSA-N 2 1 310.441 3.152 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250184 436312396 /nfs/dbraw/zinc/31/23/96/436312396.db2.gz AFDAFSGRDLELQP-UKRRQHHQSA-N 2 1 320.864 3.386 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251904 436312610 /nfs/dbraw/zinc/31/26/10/436312610.db2.gz ILCFASYFYQDDNS-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256239 436313048 /nfs/dbraw/zinc/31/30/48/436313048.db2.gz JPNRTUTZUGQCLK-APWZRJJASA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250290 436313873 /nfs/dbraw/zinc/31/38/73/436313873.db2.gz DFEAWWPQYZLCNH-MRXNPFEDSA-N 2 1 308.853 3.071 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254648 436314054 /nfs/dbraw/zinc/31/40/54/436314054.db2.gz RQHNOFBWZRKKGO-GUDVDZBRSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252567 436314150 /nfs/dbraw/zinc/31/41/50/436314150.db2.gz ASCUMJAJWPZCCU-XLIONFOSSA-N 2 1 322.452 3.498 20 0 DGADMP CC(C)(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256969 436314211 /nfs/dbraw/zinc/31/42/11/436314211.db2.gz KUZNGZBZKKRPSA-KRWDZBQOSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254493 436314544 /nfs/dbraw/zinc/31/45/44/436314544.db2.gz IXFMSIJGIFLECX-MOPGFXCFSA-N 2 1 314.473 3.433 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000666992949 436320354 /nfs/dbraw/zinc/32/03/54/436320354.db2.gz LMNQPHXXNPGPOV-UKRRQHHQSA-N 2 1 323.868 3.097 20 0 DGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662280704 436320667 /nfs/dbraw/zinc/32/06/67/436320667.db2.gz OVYIQYRSJRIHKY-GOSISDBHSA-N 2 1 310.445 3.009 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccncc2s1 ZINC000657835176 436321004 /nfs/dbraw/zinc/32/10/04/436321004.db2.gz OIZLMCUXQMVRHE-CHWSQXEVSA-N 2 1 301.459 3.431 20 0 DGADMP c1ccc(N[C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662280218 436321387 /nfs/dbraw/zinc/32/13/87/436321387.db2.gz ZWYNLAMXOOHYAI-FQEVSTJZSA-N 2 1 321.468 3.409 20 0 DGADMP c1ccc2c(CC[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)nsc2c1 ZINC000662276470 436321522 /nfs/dbraw/zinc/32/15/22/436321522.db2.gz NHRRHQDZDPGTII-RHSMWYFYSA-N 2 1 315.486 3.303 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998390 436322403 /nfs/dbraw/zinc/32/24/03/436322403.db2.gz QNKCNHPSCCIUCD-SNVBAGLBSA-N 2 1 315.280 3.275 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290888 436323627 /nfs/dbraw/zinc/32/36/27/436323627.db2.gz MOZNPGRPWUWFOO-UKRRQHHQSA-N 2 1 320.481 3.140 20 0 DGADMP C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)CC1CCOCC1 ZINC000662292723 436324211 /nfs/dbraw/zinc/32/42/11/436324211.db2.gz HZKDPNOHEDMUGG-IBGZPJMESA-N 2 1 308.510 3.295 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296518 436326008 /nfs/dbraw/zinc/32/60/08/436326008.db2.gz LPYHWFXDCKPKTI-LJQANCHMSA-N 2 1 316.489 3.339 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294571 436326680 /nfs/dbraw/zinc/32/66/80/436326680.db2.gz QXQIWUCGCIVAJX-IBGZPJMESA-N 2 1 316.489 3.339 20 0 DGADMP CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662311501 436327284 /nfs/dbraw/zinc/32/72/84/436327284.db2.gz UAAWILRMSSWDCV-PBHICJAKSA-N 2 1 322.880 3.492 20 0 DGADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657858552 436328364 /nfs/dbraw/zinc/32/83/64/436328364.db2.gz HYSOSNABGZLUSR-OALUTQOASA-N 2 1 324.472 3.220 20 0 DGADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657858552 436328368 /nfs/dbraw/zinc/32/83/68/436328368.db2.gz HYSOSNABGZLUSR-OALUTQOASA-N 2 1 324.472 3.220 20 0 DGADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1C ZINC000662316480 436328746 /nfs/dbraw/zinc/32/87/46/436328746.db2.gz WWXMPKQOKYNIGJ-CXAGYDPISA-N 2 1 305.466 3.046 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)[C@@H]1CCC[NH3+] ZINC000662315193 436329476 /nfs/dbraw/zinc/32/94/76/436329476.db2.gz RWEFQOZRUVUHRI-TZMCWYRMSA-N 2 1 320.462 3.138 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCC34CC4)CCCC2)CC1 ZINC000657880157 436331195 /nfs/dbraw/zinc/33/11/95/436331195.db2.gz MAXNJRZZMSVJFA-KRWDZBQOSA-N 2 1 306.494 3.332 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000662319841 436331366 /nfs/dbraw/zinc/33/13/66/436331366.db2.gz NSFVUXRIIUXORT-PKOBYXMFSA-N 2 1 302.462 3.107 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657880448 436331435 /nfs/dbraw/zinc/33/14/35/436331435.db2.gz BXITYIAYVOWZNJ-QGZVFWFLSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657875732 436331463 /nfs/dbraw/zinc/33/14/63/436331463.db2.gz ICRCNHIRTWZUNF-SJLPKXTDSA-N 2 1 300.490 3.428 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000662324943 436331769 /nfs/dbraw/zinc/33/17/69/436331769.db2.gz FMHMXMWZDLFOKQ-INIZCTEOSA-N 2 1 318.486 3.444 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000662324943 436331771 /nfs/dbraw/zinc/33/17/71/436331771.db2.gz FMHMXMWZDLFOKQ-INIZCTEOSA-N 2 1 318.486 3.444 20 0 DGADMP CC[C@H]([NH2+]C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000662661945 436376445 /nfs/dbraw/zinc/37/64/45/436376445.db2.gz YGADBXIYVAGGCG-KRWDZBQOSA-N 2 1 317.477 3.388 20 0 DGADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000658126005 436382502 /nfs/dbraw/zinc/38/25/02/436382502.db2.gz OCXXQBLJMCEHDZ-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000658126005 436382508 /nfs/dbraw/zinc/38/25/08/436382508.db2.gz OCXXQBLJMCEHDZ-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135235 436384771 /nfs/dbraw/zinc/38/47/71/436384771.db2.gz CRQXTTGQAMZHTE-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658142144 436386657 /nfs/dbraw/zinc/38/66/57/436386657.db2.gz DGXQKKDVRONFAU-DYESRHJHSA-N 2 1 324.468 3.412 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658161348 436391602 /nfs/dbraw/zinc/39/16/02/436391602.db2.gz KCQKIFNCIYUHEF-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658161348 436391606 /nfs/dbraw/zinc/39/16/06/436391606.db2.gz KCQKIFNCIYUHEF-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000658251661 436410608 /nfs/dbraw/zinc/41/06/08/436410608.db2.gz GSUUIJJZMHGRJQ-MWDXBVQZSA-N 2 1 308.510 3.433 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658218559 436402281 /nfs/dbraw/zinc/40/22/81/436402281.db2.gz JDBKXIPWDIKCKJ-IZBJGVDFSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658227782 436405661 /nfs/dbraw/zinc/40/56/61/436405661.db2.gz CVBNGJLARGCENI-WMZOPIPTSA-N 2 1 318.509 3.392 20 0 DGADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658227782 436405662 /nfs/dbraw/zinc/40/56/62/436405662.db2.gz CVBNGJLARGCENI-WMZOPIPTSA-N 2 1 318.509 3.392 20 0 DGADMP C1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230501 436407286 /nfs/dbraw/zinc/40/72/86/436407286.db2.gz ZETCUOYWLVVNRX-AEFFLSMTSA-N 2 1 306.494 3.332 20 0 DGADMP C1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230501 436407288 /nfs/dbraw/zinc/40/72/88/436407288.db2.gz ZETCUOYWLVVNRX-AEFFLSMTSA-N 2 1 306.494 3.332 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346920 436442204 /nfs/dbraw/zinc/44/22/04/436442204.db2.gz XQZQHEMGKGWPKT-ROUUACIJSA-N 2 1 314.473 3.264 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347574 436442473 /nfs/dbraw/zinc/44/24/73/436442473.db2.gz PESLRVMBMYHJGC-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347574 436442477 /nfs/dbraw/zinc/44/24/77/436442477.db2.gz PESLRVMBMYHJGC-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP C[C@@H]1COCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663361786 436447698 /nfs/dbraw/zinc/44/76/98/436447698.db2.gz FUUIJAUYZGUVKQ-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP OC1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000663401244 436453940 /nfs/dbraw/zinc/45/39/40/436453940.db2.gz GYYDJMCOHXNSLO-UHFFFAOYSA-N 2 1 319.836 3.147 20 0 DGADMP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466338 436464286 /nfs/dbraw/zinc/46/42/86/436464286.db2.gz RIGLOAABARAIOD-NMLBUPMWSA-N 2 1 320.521 3.293 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)[C@@H](C)C1 ZINC000658279953 436415668 /nfs/dbraw/zinc/41/56/68/436415668.db2.gz DZLXAJUHZBERMB-SOUVJXGZSA-N 2 1 318.452 3.004 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)[C@@H](C)C1 ZINC000658279951 436415976 /nfs/dbraw/zinc/41/59/76/436415976.db2.gz DZLXAJUHZBERMB-KKUMJFAQSA-N 2 1 318.452 3.004 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658288258 436419765 /nfs/dbraw/zinc/41/97/65/436419765.db2.gz SDUOJCGBBWPQNJ-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663498692 436470692 /nfs/dbraw/zinc/47/06/92/436470692.db2.gz DFDJGQQOBDOXPA-QXAKKESOSA-N 3 1 303.494 3.003 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000663497608 436471152 /nfs/dbraw/zinc/47/11/52/436471152.db2.gz CQSOUHCTENQKNN-GFCCVEGCSA-N 2 1 306.784 3.404 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000663504247 436472397 /nfs/dbraw/zinc/47/23/97/436472397.db2.gz WVPMRYOUBJMWMB-CHWSQXEVSA-N 2 1 323.278 3.461 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000663504248 436472428 /nfs/dbraw/zinc/47/24/28/436472428.db2.gz WVPMRYOUBJMWMB-OLZOCXBDSA-N 2 1 323.278 3.461 20 0 DGADMP Cc1cc(CO)cc(NC2CC[NH+](C3CCCCC3)CC2)[nH+]1 ZINC000663684701 436490695 /nfs/dbraw/zinc/49/06/95/436490695.db2.gz WAKVICUCZCDWIC-UHFFFAOYSA-N 2 1 303.450 3.091 20 0 DGADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)co1 ZINC000660007690 436578521 /nfs/dbraw/zinc/57/85/21/436578521.db2.gz NFANGCFOVPDSGS-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)co1 ZINC000660007690 436578524 /nfs/dbraw/zinc/57/85/24/436578524.db2.gz NFANGCFOVPDSGS-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1cc(CNc2[nH+]ccc3[nH]ccc32)cc(N2CCCC2)[nH+]1 ZINC000663922519 436527433 /nfs/dbraw/zinc/52/74/33/436527433.db2.gz XOHXMOKXFBJHQU-UHFFFAOYSA-N 2 1 307.401 3.479 20 0 DGADMP CCc1nc(N2CCC3(CCC([NH+](C)C)CC3)CC2)cc(C)[nH+]1 ZINC000663945196 436531090 /nfs/dbraw/zinc/53/10/90/436531090.db2.gz JNIJJIPMQVJQDW-UHFFFAOYSA-N 2 1 316.493 3.438 20 0 DGADMP CCc1cc(N2CCC3(CCC([NH+](C)C)CC3)CC2)nc(C)[nH+]1 ZINC000663946167 436531121 /nfs/dbraw/zinc/53/11/21/436531121.db2.gz RFGPFVXDEWEKGN-UHFFFAOYSA-N 2 1 316.493 3.438 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000659843515 436539586 /nfs/dbraw/zinc/53/95/86/436539586.db2.gz AQBQWKYKRLPWOZ-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000659844773 436541315 /nfs/dbraw/zinc/54/13/15/436541315.db2.gz OATBMSSWPRXKQD-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP c1ccc2c(CC[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659945603 436565934 /nfs/dbraw/zinc/56/59/34/436565934.db2.gz AFYVZLVNPJHHRC-OAHLLOKOSA-N 2 1 315.486 3.257 20 0 DGADMP c1ccc2c(CC[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659945603 436565937 /nfs/dbraw/zinc/56/59/37/436565937.db2.gz AFYVZLVNPJHHRC-OAHLLOKOSA-N 2 1 315.486 3.257 20 0 DGADMP CO[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000659972876 436571611 /nfs/dbraw/zinc/57/16/11/436571611.db2.gz ZBYQNNCHDJAYNH-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972876 436571616 /nfs/dbraw/zinc/57/16/16/436571616.db2.gz ZBYQNNCHDJAYNH-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972876 436571622 /nfs/dbraw/zinc/57/16/22/436571622.db2.gz ZBYQNNCHDJAYNH-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP Cc1ccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655682413 436572263 /nfs/dbraw/zinc/57/22/63/436572263.db2.gz DVZNSCPULHJTQT-HXUWFJFHSA-N 2 1 316.489 3.079 20 0 DGADMP C[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000660256633 436614739 /nfs/dbraw/zinc/61/47/39/436614739.db2.gz MNVFQPUTKRCQDR-HCXYKTFWSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256633 436614743 /nfs/dbraw/zinc/61/47/43/436614743.db2.gz MNVFQPUTKRCQDR-HCXYKTFWSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256633 436614746 /nfs/dbraw/zinc/61/47/46/436614746.db2.gz MNVFQPUTKRCQDR-HCXYKTFWSA-N 2 1 321.553 3.207 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC2(C)C)c1 ZINC000530208429 313339409 /nfs/dbraw/zinc/33/94/09/313339409.db2.gz TUGXHBZFNSMGOM-GOSISDBHSA-N 2 1 302.462 3.120 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216982 313341675 /nfs/dbraw/zinc/34/16/75/313341675.db2.gz DVLPRNGKIGZBIR-RDTXWAMCSA-N 2 1 310.445 3.116 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000530469768 313373937 /nfs/dbraw/zinc/37/39/37/313373937.db2.gz ZFHMEGZGSUTNBB-UYAOXDASSA-N 2 1 316.489 3.303 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531726015 313485821 /nfs/dbraw/zinc/48/58/21/313485821.db2.gz ZZKZSCRRYCQKBE-ICSRJNTNSA-N 3 1 321.553 3.351 20 0 DGADMP C([NH2+][C@H]1CCC[C@H]1C1CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000538116915 313847234 /nfs/dbraw/zinc/84/72/34/313847234.db2.gz QZSOHSPDJJMRPO-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CCC2)o1 ZINC000541731893 314034307 /nfs/dbraw/zinc/03/43/07/314034307.db2.gz COGUYLBWQAREMJ-HKUYNNGSSA-N 2 1 320.477 3.256 20 0 DGADMP C[C@H](CC1CCCCC1)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000541772082 314036779 /nfs/dbraw/zinc/03/67/79/314036779.db2.gz VTBTVBDYQBYHSP-QGZVFWFLSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@H](O)[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000542819917 314101107 /nfs/dbraw/zinc/10/11/07/314101107.db2.gz NWTBTEXQXUGPAG-HKUYNNGSSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](C)Cc1cccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000545309361 314243541 /nfs/dbraw/zinc/24/35/41/314243541.db2.gz ARDCYROYFWGLAK-UHFFFAOYSA-N 2 1 317.477 3.341 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000560463928 314923229 /nfs/dbraw/zinc/92/32/29/314923229.db2.gz HYCOEZHNOGWWIK-KGYLQXTDSA-N 2 1 309.866 3.459 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)[C@@H](C)C1 ZINC000562318250 315009022 /nfs/dbraw/zinc/00/90/22/315009022.db2.gz OWGTYOLGKVLQQF-KXBFYZLASA-N 2 1 308.510 3.149 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000562958781 315065284 /nfs/dbraw/zinc/06/52/84/315065284.db2.gz UHJBNSQNBVFMNK-USXIJHARSA-N 2 1 309.885 3.050 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cncnc1C ZINC000564585928 315184706 /nfs/dbraw/zinc/18/47/06/315184706.db2.gz RVUITDKDGMQZHE-SOLBZPMBSA-N 2 1 304.482 3.336 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000564761649 315197183 /nfs/dbraw/zinc/19/71/83/315197183.db2.gz SUUGTADBSFTLSP-LNLFQRSKSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000564761649 315197184 /nfs/dbraw/zinc/19/71/84/315197184.db2.gz SUUGTADBSFTLSP-LNLFQRSKSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000564761649 315197187 /nfs/dbraw/zinc/19/71/87/315197187.db2.gz SUUGTADBSFTLSP-LNLFQRSKSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000564761644 315197451 /nfs/dbraw/zinc/19/74/51/315197451.db2.gz SUUGTADBSFTLSP-JENIJYKNSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000564761644 315197452 /nfs/dbraw/zinc/19/74/52/315197452.db2.gz SUUGTADBSFTLSP-JENIJYKNSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000564761644 315197453 /nfs/dbraw/zinc/19/74/53/315197453.db2.gz SUUGTADBSFTLSP-JENIJYKNSA-N 2 1 303.494 3.140 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@H]3CCOC3)C2)s1 ZINC000565719315 315282955 /nfs/dbraw/zinc/28/29/55/315282955.db2.gz IHSKZAZRMASDEY-IRXDYDNUSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@H]3CCOC3)C2)s1 ZINC000565719315 315282957 /nfs/dbraw/zinc/28/29/57/315282957.db2.gz IHSKZAZRMASDEY-IRXDYDNUSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@H]3CCOC3)C2)s1 ZINC000565719315 315282959 /nfs/dbraw/zinc/28/29/59/315282959.db2.gz IHSKZAZRMASDEY-IRXDYDNUSA-N 2 1 322.518 3.237 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983422 315302125 /nfs/dbraw/zinc/30/21/25/315302125.db2.gz IYRYSGPLQHKTHW-RHSMWYFYSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983422 315302128 /nfs/dbraw/zinc/30/21/28/315302128.db2.gz IYRYSGPLQHKTHW-RHSMWYFYSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983422 315302132 /nfs/dbraw/zinc/30/21/32/315302132.db2.gz IYRYSGPLQHKTHW-RHSMWYFYSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983422 315302134 /nfs/dbraw/zinc/30/21/34/315302134.db2.gz IYRYSGPLQHKTHW-RHSMWYFYSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000566411742 315342358 /nfs/dbraw/zinc/34/23/58/315342358.db2.gz JOMDAPWGZYHUJX-NVXWUHKLSA-N 2 1 320.440 3.337 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972982 315387511 /nfs/dbraw/zinc/38/75/11/315387511.db2.gz JQKBKGOIWFOUAX-PMPSAXMXSA-N 2 1 306.400 3.427 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972982 315387513 /nfs/dbraw/zinc/38/75/13/315387513.db2.gz JQKBKGOIWFOUAX-PMPSAXMXSA-N 2 1 306.400 3.427 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccncc2)cs1 ZINC000568294848 315501297 /nfs/dbraw/zinc/50/12/97/315501297.db2.gz FVZOPKGVSRVDKI-UBHSHLNASA-N 2 1 302.447 3.126 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000573813497 315903599 /nfs/dbraw/zinc/90/35/99/315903599.db2.gz RDMSDRUSXZNPNL-UHFFFAOYSA-N 2 1 319.493 3.414 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc2cccnc12 ZINC000576594573 316146781 /nfs/dbraw/zinc/14/67/81/316146781.db2.gz ODXDEQBDGMSLIE-RBUKOAKNSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc2cccnc12 ZINC000576594573 316146788 /nfs/dbraw/zinc/14/67/88/316146788.db2.gz ODXDEQBDGMSLIE-RBUKOAKNSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc2cccnc12 ZINC000576594573 316146793 /nfs/dbraw/zinc/14/67/93/316146793.db2.gz ODXDEQBDGMSLIE-RBUKOAKNSA-N 2 1 309.457 3.459 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000576788220 316167340 /nfs/dbraw/zinc/16/73/40/316167340.db2.gz PNRPWMGCPRYHOY-KRWDZBQOSA-N 2 1 318.461 3.058 20 0 DGADMP Clc1ccc(Br)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000577078728 316200734 /nfs/dbraw/zinc/20/07/34/316200734.db2.gz NVNMOGZGKWCASD-GFCCVEGCSA-N 2 1 317.658 3.334 20 0 DGADMP CCCC[N@H+](C)CC1CCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000577418939 316233970 /nfs/dbraw/zinc/23/39/70/316233970.db2.gz BWBPWJYAZPQKKW-UHFFFAOYSA-N 2 1 304.482 3.296 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000577418939 316233972 /nfs/dbraw/zinc/23/39/72/316233972.db2.gz BWBPWJYAZPQKKW-UHFFFAOYSA-N 2 1 304.482 3.296 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C12CCCC2 ZINC000181700013 323264968 /nfs/dbraw/zinc/26/49/68/323264968.db2.gz SFGVVMRVNPKALV-OKZBNKHCSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731006 323394433 /nfs/dbraw/zinc/39/44/33/323394433.db2.gz MWLVUDOARLGVRZ-JKSUJKDBSA-N 2 1 324.509 3.351 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000191542243 323447852 /nfs/dbraw/zinc/44/78/52/323447852.db2.gz YLMRGSLAGKOGQH-UHFFFAOYSA-N 2 1 303.494 3.319 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC3(O)CCC3)C2)s1 ZINC000581136147 324079440 /nfs/dbraw/zinc/07/94/40/324079440.db2.gz WBQZJWCQYVHALX-INIZCTEOSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC3(O)CCC3)C2)s1 ZINC000581136147 324079444 /nfs/dbraw/zinc/07/94/44/324079444.db2.gz WBQZJWCQYVHALX-INIZCTEOSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC3(O)CCC3)C2)s1 ZINC000581136147 324079449 /nfs/dbraw/zinc/07/94/49/324079449.db2.gz WBQZJWCQYVHALX-INIZCTEOSA-N 2 1 322.518 3.115 20 0 DGADMP CS[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000581291827 324100296 /nfs/dbraw/zinc/10/02/96/324100296.db2.gz DEPTWEVLWUYMTP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP CS[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](SC)C2)C1 ZINC000581291827 324100303 /nfs/dbraw/zinc/10/03/03/324100303.db2.gz DEPTWEVLWUYMTP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP CS[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](SC)C2)C1 ZINC000581291827 324100306 /nfs/dbraw/zinc/10/03/06/324100306.db2.gz DEPTWEVLWUYMTP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000581938048 324170289 /nfs/dbraw/zinc/17/02/89/324170289.db2.gz ZLTILXKHBHLXKU-CJNGLKHVSA-N 2 1 323.868 3.179 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000582150562 324196027 /nfs/dbraw/zinc/19/60/27/324196027.db2.gz GVBZUGZOSDZVPB-PMUMKWKESA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000582150562 324196031 /nfs/dbraw/zinc/19/60/31/324196031.db2.gz GVBZUGZOSDZVPB-PMUMKWKESA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000582150562 324196035 /nfs/dbraw/zinc/19/60/35/324196035.db2.gz GVBZUGZOSDZVPB-PMUMKWKESA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000582150562 324196039 /nfs/dbraw/zinc/19/60/39/324196039.db2.gz GVBZUGZOSDZVPB-PMUMKWKESA-N 2 1 324.896 3.219 20 0 DGADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c2ccccn21 ZINC000582909115 324290483 /nfs/dbraw/zinc/29/04/83/324290483.db2.gz PJRQCYRKYXZVJA-MRXNPFEDSA-N 2 1 314.477 3.231 20 0 DGADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccn21 ZINC000582909115 324290486 /nfs/dbraw/zinc/29/04/86/324290486.db2.gz PJRQCYRKYXZVJA-MRXNPFEDSA-N 2 1 314.477 3.231 20 0 DGADMP C[N@H+](C[C@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1)C1CC1 ZINC000583436545 324353182 /nfs/dbraw/zinc/35/31/82/324353182.db2.gz MXAOPALNUJVMOX-LJQANCHMSA-N 2 1 317.477 3.156 20 0 DGADMP C[N@@H+](C[C@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1)C1CC1 ZINC000583436545 324353185 /nfs/dbraw/zinc/35/31/85/324353185.db2.gz MXAOPALNUJVMOX-LJQANCHMSA-N 2 1 317.477 3.156 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000583509936 324363331 /nfs/dbraw/zinc/36/33/31/324363331.db2.gz BGNQQUCWYYYGKX-IRXDYDNUSA-N 2 1 310.526 3.418 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000584485619 337349642 /nfs/dbraw/zinc/34/96/42/337349642.db2.gz NVLIVWQNJMQCKR-IHPCNDPISA-N 2 1 321.553 3.494 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309886841 533850505 /nfs/dbraw/zinc/85/05/05/533850505.db2.gz ZPBPVVRTZSXMJQ-ZIFCJYIRSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309886841 533850514 /nfs/dbraw/zinc/85/05/14/533850514.db2.gz ZPBPVVRTZSXMJQ-ZIFCJYIRSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946467 533880381 /nfs/dbraw/zinc/88/03/81/533880381.db2.gz DMAAHMBMRHBJCV-WMZOPIPTSA-N 2 1 312.461 3.363 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309946467 533880385 /nfs/dbraw/zinc/88/03/85/533880385.db2.gz DMAAHMBMRHBJCV-WMZOPIPTSA-N 2 1 312.461 3.363 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415051673 533948107 /nfs/dbraw/zinc/94/81/07/533948107.db2.gz MKQJTKJCHYNACV-IGCXZHCHSA-N 2 1 300.446 3.172 20 0 DGADMP C[C@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430962486 533948838 /nfs/dbraw/zinc/94/88/38/533948838.db2.gz GZKUOKUHTAFEIP-NHYWBVRUSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430962486 533948844 /nfs/dbraw/zinc/94/88/44/533948844.db2.gz GZKUOKUHTAFEIP-NHYWBVRUSA-N 2 1 305.809 3.164 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415086758 533992864 /nfs/dbraw/zinc/99/28/64/533992864.db2.gz KEQDWEUTKRECTK-RWMBFGLXSA-N 2 1 310.413 3.024 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000422913619 534006123 /nfs/dbraw/zinc/00/61/23/534006123.db2.gz QMOGSXWVLZYZPY-YDHLFZDLSA-N 2 1 316.474 3.244 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000415129830 534036578 /nfs/dbraw/zinc/03/65/78/534036578.db2.gz PUVHISIAJQWASE-ZYHUDNBSSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000415129830 534036586 /nfs/dbraw/zinc/03/65/86/534036586.db2.gz PUVHISIAJQWASE-ZYHUDNBSSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000442785767 534081848 /nfs/dbraw/zinc/08/18/48/534081848.db2.gz YHMAXGLQSBUGLK-HOTGVXAUSA-N 2 1 320.440 3.170 20 0 DGADMP C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCCC[C@H]1C ZINC000442724602 534087380 /nfs/dbraw/zinc/08/73/80/534087380.db2.gz ZVWCASCLKJKYPP-OWCLPIDISA-N 2 1 311.473 3.488 20 0 DGADMP C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCCC[C@H]1C ZINC000442724602 534087391 /nfs/dbraw/zinc/08/73/91/534087391.db2.gz ZVWCASCLKJKYPP-OWCLPIDISA-N 2 1 311.473 3.488 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cncs2)CC[N@H+](Cc2ccccc2)C1 ZINC000309639421 534267724 /nfs/dbraw/zinc/26/77/24/534267724.db2.gz BFBHTAKZQKHREI-KRWDZBQOSA-N 2 1 301.459 3.145 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cncs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309639421 534267726 /nfs/dbraw/zinc/26/77/26/534267726.db2.gz BFBHTAKZQKHREI-KRWDZBQOSA-N 2 1 301.459 3.145 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430917372 534472606 /nfs/dbraw/zinc/47/26/06/534472606.db2.gz JTXBOSQDTUJILS-DNVCBOLYSA-N 2 1 323.440 3.108 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055240 534639874 /nfs/dbraw/zinc/63/98/74/534639874.db2.gz AZRCIOOAONTEMN-INIZCTEOSA-N 2 1 317.477 3.118 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cnn(C)c1 ZINC000157514015 522562024 /nfs/dbraw/zinc/56/20/24/522562024.db2.gz JUADXGIFKUOURZ-SFHVURJKSA-N 2 1 304.482 3.258 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000154871197 522656365 /nfs/dbraw/zinc/65/63/65/522656365.db2.gz YIQWTGCXTLRJJR-OALUTQOASA-N 2 1 304.478 3.432 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000443066987 534653705 /nfs/dbraw/zinc/65/37/05/534653705.db2.gz GFUROSFNMLZIKD-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP CC(C)(CO)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccs1 ZINC000347726555 527215554 /nfs/dbraw/zinc/21/55/54/527215554.db2.gz YPCYKJIYHNASOE-INIZCTEOSA-N 2 1 310.507 3.273 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443070233 527410187 /nfs/dbraw/zinc/41/01/87/527410187.db2.gz OOPLRELDVXSJRZ-GOSISDBHSA-N 2 1 309.542 3.375 20 0 DGADMP CC[N@H+](C)CCNc1cc[nH+]c2cc(Br)ccc12 ZINC000301975452 527801660 /nfs/dbraw/zinc/80/16/60/527801660.db2.gz CTFIAKSLJFNBNY-UHFFFAOYSA-N 2 1 308.223 3.361 20 0 DGADMP CC[N@@H+](C)CCNc1cc[nH+]c2cc(Br)ccc12 ZINC000301975452 527801668 /nfs/dbraw/zinc/80/16/68/527801668.db2.gz CTFIAKSLJFNBNY-UHFFFAOYSA-N 2 1 308.223 3.361 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCCCC2 ZINC000317285274 527952591 /nfs/dbraw/zinc/95/25/91/527952591.db2.gz RNVBPPFMFMTQBP-XWTMOSNGSA-N 2 1 306.494 3.331 20 0 DGADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCc2ccccc21 ZINC000431084314 528153608 /nfs/dbraw/zinc/15/36/08/528153608.db2.gz GFBYUGOGJVDIEI-HNNXBMFYSA-N 2 1 314.433 3.163 20 0 DGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCc2ccccc21 ZINC000431084314 528153613 /nfs/dbraw/zinc/15/36/13/528153613.db2.gz GFBYUGOGJVDIEI-HNNXBMFYSA-N 2 1 314.433 3.163 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415058975 528223005 /nfs/dbraw/zinc/22/30/05/528223005.db2.gz WGFYMNTZQPBLIT-IEBWSBKVSA-N 2 1 302.462 3.438 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3ccncc3)C2)CC1 ZINC000299467261 528253947 /nfs/dbraw/zinc/25/39/47/528253947.db2.gz FDDPLXIKZJWARP-IBGZPJMESA-N 2 1 301.478 3.068 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3ccncc3)C2)CC1 ZINC000299467261 528253951 /nfs/dbraw/zinc/25/39/51/528253951.db2.gz FDDPLXIKZJWARP-IBGZPJMESA-N 2 1 301.478 3.068 20 0 DGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000344683433 528373268 /nfs/dbraw/zinc/37/32/68/528373268.db2.gz WDQFATKVMOISKK-UHFFFAOYSA-N 2 1 314.433 3.097 20 0 DGADMP CC[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435626709 528399480 /nfs/dbraw/zinc/39/94/80/528399480.db2.gz PCSJRGJRBPARHN-AWEZNQCLSA-N 2 1 323.868 3.133 20 0 DGADMP CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435625742 528399671 /nfs/dbraw/zinc/39/96/71/528399671.db2.gz JCENCPOWEKSKTJ-MRXNPFEDSA-N 2 1 323.868 3.133 20 0 DGADMP CCCCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435435215 528652865 /nfs/dbraw/zinc/65/28/65/528652865.db2.gz ARIIQEPFFQREBQ-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056145 528667303 /nfs/dbraw/zinc/66/73/03/528667303.db2.gz ROGGHJHNUPQPLZ-HOCLYGCPSA-N 2 1 307.507 3.306 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056145 528667307 /nfs/dbraw/zinc/66/73/07/528667307.db2.gz ROGGHJHNUPQPLZ-HOCLYGCPSA-N 2 1 307.507 3.306 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000435373310 528672694 /nfs/dbraw/zinc/67/26/94/528672694.db2.gz DKZJRVHCVWFCCT-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000435373310 528672701 /nfs/dbraw/zinc/67/27/01/528672701.db2.gz DKZJRVHCVWFCCT-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OCC ZINC000415055913 528687943 /nfs/dbraw/zinc/68/79/43/528687943.db2.gz PJTZBGFAFOSALT-KRWDZBQOSA-N 2 1 308.466 3.337 20 0 DGADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441411016 528692903 /nfs/dbraw/zinc/69/29/03/528692903.db2.gz MDJKOFVLDMPERU-SJLPKXTDSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441411016 528692908 /nfs/dbraw/zinc/69/29/08/528692908.db2.gz MDJKOFVLDMPERU-SJLPKXTDSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441411016 528692917 /nfs/dbraw/zinc/69/29/17/528692917.db2.gz MDJKOFVLDMPERU-SJLPKXTDSA-N 2 1 322.493 3.059 20 0 DGADMP CC[N@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435396387 528889659 /nfs/dbraw/zinc/88/96/59/528889659.db2.gz YNWZDHRMOXHKEG-GFCCVEGCSA-N 2 1 301.356 3.064 20 0 DGADMP CC[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435396387 528889663 /nfs/dbraw/zinc/88/96/63/528889663.db2.gz YNWZDHRMOXHKEG-GFCCVEGCSA-N 2 1 301.356 3.064 20 0 DGADMP CCC[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441371569 528955529 /nfs/dbraw/zinc/95/55/29/528955529.db2.gz MCEZVINYIUGKLY-IBGZPJMESA-N 2 1 317.521 3.186 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000319009079 529161153 /nfs/dbraw/zinc/16/11/53/529161153.db2.gz SRJVATRZECKIPI-MRXNPFEDSA-N 2 1 308.466 3.475 20 0 DGADMP CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000161608518 529373766 /nfs/dbraw/zinc/37/37/66/529373766.db2.gz UPVHFLNDZIBNQE-AQNXPRMDSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000161608518 529373767 /nfs/dbraw/zinc/37/37/67/529373767.db2.gz UPVHFLNDZIBNQE-AQNXPRMDSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000161608518 529373770 /nfs/dbraw/zinc/37/37/70/529373770.db2.gz UPVHFLNDZIBNQE-AQNXPRMDSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459497182 535026925 /nfs/dbraw/zinc/02/69/25/535026925.db2.gz IIZUYWWHGGPZCI-UHFFFAOYSA-N 2 1 316.493 3.488 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCc3ccccc3CC2)s1 ZINC000449596035 536057898 /nfs/dbraw/zinc/05/78/98/536057898.db2.gz WMTCIMGICWFULC-UHFFFAOYSA-N 2 1 315.486 3.242 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[NH+](CC2CCCCC2)CC1 ZINC000472849585 536353526 /nfs/dbraw/zinc/35/35/26/536353526.db2.gz LJAIGWOSIFHYJZ-HXUWFJFHSA-N 2 1 321.553 3.449 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000472849585 536353528 /nfs/dbraw/zinc/35/35/28/536353528.db2.gz LJAIGWOSIFHYJZ-HXUWFJFHSA-N 2 1 321.553 3.449 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000472849585 536353531 /nfs/dbraw/zinc/35/35/31/536353531.db2.gz LJAIGWOSIFHYJZ-HXUWFJFHSA-N 2 1 321.553 3.449 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449078553 536893842 /nfs/dbraw/zinc/89/38/42/536893842.db2.gz VMDVTMGCXGYDJH-HNNXBMFYSA-N 2 1 310.441 3.422 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449078553 536893845 /nfs/dbraw/zinc/89/38/45/536893845.db2.gz VMDVTMGCXGYDJH-HNNXBMFYSA-N 2 1 310.441 3.422 20 0 DGADMP COc1cccc2c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cccc12 ZINC000449073906 536933355 /nfs/dbraw/zinc/93/33/55/536933355.db2.gz JOROTPLXIZCIIK-HNNXBMFYSA-N 2 1 310.441 3.422 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000153015211 546006183 /nfs/dbraw/zinc/00/61/83/546006183.db2.gz CNFRAVDDVKYPHP-KURKYZTESA-N 2 1 302.462 3.054 20 0 DGADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000166138039 546094731 /nfs/dbraw/zinc/09/47/31/546094731.db2.gz GURBHRCZXPKWRY-DLBZAZTESA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000166138039 546094740 /nfs/dbraw/zinc/09/47/40/546094740.db2.gz GURBHRCZXPKWRY-DLBZAZTESA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000166138039 546094742 /nfs/dbraw/zinc/09/47/42/546094742.db2.gz GURBHRCZXPKWRY-DLBZAZTESA-N 2 1 315.461 3.119 20 0 DGADMP c1csc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000165948289 546094997 /nfs/dbraw/zinc/09/49/97/546094997.db2.gz MFCLAENJTNTIAO-ZACQAIPSSA-N 2 1 319.518 3.101 20 0 DGADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000166465695 546096074 /nfs/dbraw/zinc/09/60/74/546096074.db2.gz LHTWHQYMEQSCJV-HUUCEWRRSA-N 2 1 319.518 3.171 20 0 DGADMP CC(C)(C)c1csc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000166515835 546096689 /nfs/dbraw/zinc/09/66/89/546096689.db2.gz VNFAOMUYHQOUKC-UONOGXRCSA-N 2 1 307.507 3.200 20 0 DGADMP CC(C)(C)OCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000168315567 546097594 /nfs/dbraw/zinc/09/75/94/546097594.db2.gz BVOJRPRYMAJKEI-UHFFFAOYSA-N 2 1 304.478 3.446 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)CCO2 ZINC000178096411 546126071 /nfs/dbraw/zinc/12/60/71/546126071.db2.gz LTDJXMMTLALJJN-ZTFGCOKTSA-N 2 1 318.461 3.229 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)CCO2 ZINC000178096411 546126075 /nfs/dbraw/zinc/12/60/75/546126075.db2.gz LTDJXMMTLALJJN-ZTFGCOKTSA-N 2 1 318.461 3.229 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237123319 546283477 /nfs/dbraw/zinc/28/34/77/546283477.db2.gz XLVQFIIHTMLVSV-RBUKOAKNSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248516173 546318327 /nfs/dbraw/zinc/31/83/27/546318327.db2.gz OPDAMAYEALUDHB-VAMGGRTRSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000281353096 546386288 /nfs/dbraw/zinc/38/62/88/546386288.db2.gz VPGNQZSJPBLJDN-OAHLLOKOSA-N 2 1 309.417 3.118 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCCCC1 ZINC001658641595 1196283292 /nfs/dbraw/zinc/28/32/92/1196283292.db2.gz FHZRXAYRMAMNMR-SFHVURJKSA-N 2 1 308.510 3.437 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000308391280 546449843 /nfs/dbraw/zinc/44/98/43/546449843.db2.gz JVMGNCRNWIATOW-RBUKOAKNSA-N 2 1 314.473 3.198 20 0 DGADMP Clc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068535 546532837 /nfs/dbraw/zinc/53/28/37/546532837.db2.gz QZHAKDHTYXMLOF-BQFCYCMXSA-N 2 1 319.880 3.135 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339224900 546535340 /nfs/dbraw/zinc/53/53/40/546535340.db2.gz VEAQZLSXSBSWOH-MRXNPFEDSA-N 2 1 317.477 3.260 20 0 DGADMP c1ccc(COCCC2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000347218915 546583723 /nfs/dbraw/zinc/58/37/23/546583723.db2.gz BWMUOGFNCVXJFN-RTBURBONSA-N 2 1 314.473 3.342 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000358919013 546707268 /nfs/dbraw/zinc/70/72/68/546707268.db2.gz XKOIWTFMGCLFRT-KRWDZBQOSA-N 2 1 318.461 3.155 20 0 DGADMP CCc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(C)n1 ZINC000359712115 546711287 /nfs/dbraw/zinc/71/12/87/546711287.db2.gz CAPWZNXBWPQQCM-JKIFEVAISA-N 2 1 302.466 3.189 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC3CCOCC3)C2)CC1 ZINC000409447410 546769907 /nfs/dbraw/zinc/76/99/07/546769907.db2.gz IYTFGOYAUVAMGC-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000414187162 546781414 /nfs/dbraw/zinc/78/14/14/546781414.db2.gz QFTJAEPVBXLXLJ-CHPDAQJUSA-N 2 1 302.462 3.369 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000414187162 546781418 /nfs/dbraw/zinc/78/14/18/546781418.db2.gz QFTJAEPVBXLXLJ-CHPDAQJUSA-N 2 1 302.462 3.369 20 0 DGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000414292922 546783885 /nfs/dbraw/zinc/78/38/85/546783885.db2.gz BFEYGKVLYCPMQN-JQHSSLGASA-N 2 1 302.462 3.369 20 0 DGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000414292922 546783890 /nfs/dbraw/zinc/78/38/90/546783890.db2.gz BFEYGKVLYCPMQN-JQHSSLGASA-N 2 1 302.462 3.369 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414934830 546791470 /nfs/dbraw/zinc/79/14/70/546791470.db2.gz YFKIMDKICXFFJS-MNOVXSKESA-N 2 1 303.233 3.362 20 0 DGADMP C[C@H](CC[N@H+]1CCSC(C)(C)C1)[NH+]1CCSC(C)(C)C1 ZINC000431598162 546816276 /nfs/dbraw/zinc/81/62/76/546816276.db2.gz AXIUWKKXQHAIJQ-CQSZACIVSA-N 2 1 316.580 3.420 20 0 DGADMP C[C@H](CC[NH+]1CCSC(C)(C)C1)[N@@H+]1CCSC(C)(C)C1 ZINC000431598162 546816284 /nfs/dbraw/zinc/81/62/84/546816284.db2.gz AXIUWKKXQHAIJQ-CQSZACIVSA-N 2 1 316.580 3.420 20 0 DGADMP C[C@H](CC[NH+]1CCSC(C)(C)C1)[N@H+]1CCSC(C)(C)C1 ZINC000431598162 546816288 /nfs/dbraw/zinc/81/62/88/546816288.db2.gz AXIUWKKXQHAIJQ-CQSZACIVSA-N 2 1 316.580 3.420 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000453221488 546858256 /nfs/dbraw/zinc/85/82/56/546858256.db2.gz KEKMPUVTAOHWSE-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000453221488 546858261 /nfs/dbraw/zinc/85/82/61/546858261.db2.gz KEKMPUVTAOHWSE-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972310 546936068 /nfs/dbraw/zinc/93/60/68/546936068.db2.gz KPSRMWFAKKBSLJ-HOCLYGCPSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972310 546936072 /nfs/dbraw/zinc/93/60/72/546936072.db2.gz KPSRMWFAKKBSLJ-HOCLYGCPSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000494972310 546936076 /nfs/dbraw/zinc/93/60/76/546936076.db2.gz KPSRMWFAKKBSLJ-HOCLYGCPSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000494972310 546936078 /nfs/dbraw/zinc/93/60/78/546936078.db2.gz KPSRMWFAKKBSLJ-HOCLYGCPSA-N 2 1 317.502 3.469 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667507834 547206939 /nfs/dbraw/zinc/20/69/39/547206939.db2.gz KQPMMZCCYPLTFY-SFHVURJKSA-N 2 1 318.424 3.332 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667507834 547206942 /nfs/dbraw/zinc/20/69/42/547206942.db2.gz KQPMMZCCYPLTFY-SFHVURJKSA-N 2 1 318.424 3.332 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667867833 547324074 /nfs/dbraw/zinc/32/40/74/547324074.db2.gz LBSQNZMMASXFIO-CDHQVMDDSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667887095 547327310 /nfs/dbraw/zinc/32/73/10/547327310.db2.gz HBTCDBMDJXELJG-XFWGSAIBSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667887095 547327313 /nfs/dbraw/zinc/32/73/13/547327313.db2.gz HBTCDBMDJXELJG-XFWGSAIBSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000667892319 547327976 /nfs/dbraw/zinc/32/79/76/547327976.db2.gz MQWGKEWGTFTDRF-AYOQOUSVSA-N 2 1 302.462 3.054 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4ccncc4s3)C2)CC1 ZINC000668168778 547401388 /nfs/dbraw/zinc/40/13/88/547401388.db2.gz ATCIQDTXWQNRBW-INIZCTEOSA-N 2 1 315.486 3.460 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000668490342 547467959 /nfs/dbraw/zinc/46/79/59/547467959.db2.gz VBFKTRJCHJBYMY-QFBILLFUSA-N 2 1 304.478 3.025 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000668595874 547488884 /nfs/dbraw/zinc/48/88/84/547488884.db2.gz BMHIHBRGPXMXDB-ICSRJNTNSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000668595874 547488887 /nfs/dbraw/zinc/48/88/87/547488887.db2.gz BMHIHBRGPXMXDB-ICSRJNTNSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000668595874 547488890 /nfs/dbraw/zinc/48/88/90/547488890.db2.gz BMHIHBRGPXMXDB-ICSRJNTNSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000668595874 547488894 /nfs/dbraw/zinc/48/88/94/547488894.db2.gz BMHIHBRGPXMXDB-ICSRJNTNSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785710 547541027 /nfs/dbraw/zinc/54/10/27/547541027.db2.gz VNOQFYSQMZWJNR-KRWDZBQOSA-N 2 1 324.896 3.499 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785710 547541030 /nfs/dbraw/zinc/54/10/30/547541030.db2.gz VNOQFYSQMZWJNR-KRWDZBQOSA-N 2 1 324.896 3.499 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668818330 547549623 /nfs/dbraw/zinc/54/96/23/547549623.db2.gz GPQIMBFWCZZQJP-APWZRJJASA-N 2 1 316.489 3.425 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671748387 547825303 /nfs/dbraw/zinc/82/53/03/547825303.db2.gz AQFAFXNOUZRZLX-LBPRGKRZSA-N 2 1 314.389 3.169 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000671750161 547826196 /nfs/dbraw/zinc/82/61/96/547826196.db2.gz YOZHMRCDAZJYOS-IRXDYDNUSA-N 2 1 302.466 3.086 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000672615242 547894736 /nfs/dbraw/zinc/89/47/36/547894736.db2.gz REGXLWPZBFAQBH-HMDCTGQHSA-N 2 1 306.400 3.140 20 0 DGADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000672624097 547897512 /nfs/dbraw/zinc/89/75/12/547897512.db2.gz FLNPLHTWBXGXQM-PBWTXFEYSA-N 2 1 314.473 3.449 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000673714670 547985594 /nfs/dbraw/zinc/98/55/94/547985594.db2.gz FWZGYWWUWBVDGD-PKOBYXMFSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000673714670 547985596 /nfs/dbraw/zinc/98/55/96/547985596.db2.gz FWZGYWWUWBVDGD-PKOBYXMFSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000673714670 547985600 /nfs/dbraw/zinc/98/56/00/547985600.db2.gz FWZGYWWUWBVDGD-PKOBYXMFSA-N 2 1 304.478 3.344 20 0 DGADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000674247700 548052564 /nfs/dbraw/zinc/05/25/64/548052564.db2.gz IOKBECNSFCQWFN-OAHLLOKOSA-N 2 1 301.821 3.446 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000674247700 548052566 /nfs/dbraw/zinc/05/25/66/548052566.db2.gz IOKBECNSFCQWFN-OAHLLOKOSA-N 2 1 301.821 3.446 20 0 DGADMP Cc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000675641517 548243821 /nfs/dbraw/zinc/24/38/21/548243821.db2.gz JVQBRXHHEHQUGL-LSDHHAIUSA-N 2 1 320.481 3.416 20 0 DGADMP Cc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000675641517 548243824 /nfs/dbraw/zinc/24/38/24/548243824.db2.gz JVQBRXHHEHQUGL-LSDHHAIUSA-N 2 1 320.481 3.416 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000675751859 548265673 /nfs/dbraw/zinc/26/56/73/548265673.db2.gz ADOOUUWXLMCXEK-FHWLQOOXSA-N 2 1 316.489 3.479 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881446 548283284 /nfs/dbraw/zinc/28/32/84/548283284.db2.gz LIXKNPIWPUWJIE-ICSRJNTNSA-N 2 1 314.473 3.215 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881443 548283347 /nfs/dbraw/zinc/28/33/47/548283347.db2.gz LHUWQWLOBJILMA-QUCCMNQESA-N 2 1 314.473 3.297 20 0 DGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000675935698 548294436 /nfs/dbraw/zinc/29/44/36/548294436.db2.gz NGRFVYBFVFDNPI-IEBWSBKVSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934080 548294858 /nfs/dbraw/zinc/29/48/58/548294858.db2.gz HOOWNPQGTCMDDM-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934080 548294863 /nfs/dbraw/zinc/29/48/63/548294863.db2.gz HOOWNPQGTCMDDM-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@@H]4CCCOC4)CC[C@H]32)cc1 ZINC000675982462 548301062 /nfs/dbraw/zinc/30/10/62/548301062.db2.gz AGZVEMKQLWHYOG-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@@H]4CCCOC4)CC[C@H]32)cc1 ZINC000675982462 548301064 /nfs/dbraw/zinc/30/10/64/548301064.db2.gz AGZVEMKQLWHYOG-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@@H]4CCCOC4)CC[C@H]32)cc1 ZINC000675982462 548301069 /nfs/dbraw/zinc/30/10/69/548301069.db2.gz AGZVEMKQLWHYOG-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncccc1C(F)(F)F ZINC000677965514 548586542 /nfs/dbraw/zinc/58/65/42/548586542.db2.gz GCJMFWCCCZKOQY-NSHDSACASA-N 2 1 312.339 3.031 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000677981921 548588331 /nfs/dbraw/zinc/58/83/31/548588331.db2.gz KWWFDAFPIJRXMW-RTBURBONSA-N 2 1 313.445 3.291 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000677981921 548588335 /nfs/dbraw/zinc/58/83/35/548588335.db2.gz KWWFDAFPIJRXMW-RTBURBONSA-N 2 1 313.445 3.291 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000678211320 548638380 /nfs/dbraw/zinc/63/83/80/548638380.db2.gz FKIDVZMROYRRKT-UHFFFAOYSA-N 2 1 324.468 3.226 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000678341740 548683115 /nfs/dbraw/zinc/68/31/15/548683115.db2.gz BOUBGGLSXVIVQO-RBUKOAKNSA-N 2 1 312.457 3.454 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@@H](OC)c2cccc(Cl)c2)CC1 ZINC000678773353 548761037 /nfs/dbraw/zinc/76/10/37/548761037.db2.gz YFVXPROCBFZUMU-QGZVFWFLSA-N 2 1 310.869 3.492 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@H](OC)c2cccc(Cl)c2)CC1 ZINC000678773352 548761475 /nfs/dbraw/zinc/76/14/75/548761475.db2.gz YFVXPROCBFZUMU-KRWDZBQOSA-N 2 1 310.869 3.492 20 0 DGADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000678993923 548808737 /nfs/dbraw/zinc/80/87/37/548808737.db2.gz ZCGCPPJCZZJMTA-FQEVSTJZSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679370599 548887513 /nfs/dbraw/zinc/88/75/13/548887513.db2.gz RWYNJXJRAPAZBA-JYBIWHBTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CSC2)C1 ZINC000679624930 548925303 /nfs/dbraw/zinc/92/53/03/548925303.db2.gz LHIZLRAERGHGFJ-GASCZTMLSA-N 2 1 304.503 3.370 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401009 549047930 /nfs/dbraw/zinc/04/79/30/549047930.db2.gz AIIQPIJPMQJPMI-FUHWJXTLSA-N 2 1 315.505 3.495 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401011 549048256 /nfs/dbraw/zinc/04/82/56/549048256.db2.gz AIIQPIJPMQJPMI-WMZOPIPTSA-N 2 1 315.505 3.495 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)[NH+]1CCCCCC1 ZINC000682381036 549313308 /nfs/dbraw/zinc/31/33/08/549313308.db2.gz RXZMSPHJJMLKNR-HNSVSWJLSA-N 2 1 318.465 3.347 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+]1CCCCCC1 ZINC000682381036 549313313 /nfs/dbraw/zinc/31/33/13/549313313.db2.gz RXZMSPHJJMLKNR-HNSVSWJLSA-N 2 1 318.465 3.347 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021679 549567980 /nfs/dbraw/zinc/56/79/80/549567980.db2.gz RPQBOSFLYXJLEQ-GOSISDBHSA-N 2 1 315.461 3.101 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684959024 549725977 /nfs/dbraw/zinc/72/59/77/549725977.db2.gz DBGATEDLHIFZBE-SJLPKXTDSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684959024 549725978 /nfs/dbraw/zinc/72/59/78/549725978.db2.gz DBGATEDLHIFZBE-SJLPKXTDSA-N 2 1 301.478 3.417 20 0 DGADMP C[N@@H+](C[C@@H]1CCOc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443801 549761860 /nfs/dbraw/zinc/76/18/60/549761860.db2.gz GJZDKQJGYWBNPC-PMRDEQMMSA-N 2 1 300.446 3.110 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000685457421 549763124 /nfs/dbraw/zinc/76/31/24/549763124.db2.gz ZGKSHNOHSPOHHK-HBFSDRIKSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@@H+](C[C@@H]1CCCC(C)(C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457328 549763428 /nfs/dbraw/zinc/76/34/28/549763428.db2.gz APHJUENKWJTMGJ-IEBWSBKVSA-N 2 1 321.553 3.303 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCOc2ccccc21 ZINC000685459728 549764434 /nfs/dbraw/zinc/76/44/34/549764434.db2.gz IFJASOWFEAZVTH-QGZVFWFLSA-N 2 1 302.462 3.361 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000685570999 549775893 /nfs/dbraw/zinc/77/58/93/549775893.db2.gz UVFHCLOXLYXEBM-MOPGFXCFSA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000685570999 549775896 /nfs/dbraw/zinc/77/58/96/549775896.db2.gz UVFHCLOXLYXEBM-MOPGFXCFSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1cn[nH]c1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619427 549781426 /nfs/dbraw/zinc/78/14/26/549781426.db2.gz NSMMKSUYGUDPRU-WMZOPIPTSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000685619427 549781430 /nfs/dbraw/zinc/78/14/30/549781430.db2.gz NSMMKSUYGUDPRU-WMZOPIPTSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619427 549781433 /nfs/dbraw/zinc/78/14/33/549781433.db2.gz NSMMKSUYGUDPRU-WMZOPIPTSA-N 2 1 312.461 3.108 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000685662247 549787011 /nfs/dbraw/zinc/78/70/11/549787011.db2.gz XZDQDWLVOSPMQL-MJGOQNOKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685662247 549787014 /nfs/dbraw/zinc/78/70/14/549787014.db2.gz XZDQDWLVOSPMQL-MJGOQNOKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685662247 549787019 /nfs/dbraw/zinc/78/70/19/549787019.db2.gz XZDQDWLVOSPMQL-MJGOQNOKSA-N 2 1 317.521 3.358 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000685849291 549799588 /nfs/dbraw/zinc/79/95/88/549799588.db2.gz LOYXZNBYGZUKRC-MRXNPFEDSA-N 2 1 304.478 3.264 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000685849291 549799589 /nfs/dbraw/zinc/79/95/89/549799589.db2.gz LOYXZNBYGZUKRC-MRXNPFEDSA-N 2 1 304.478 3.264 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125450 1196350124 /nfs/dbraw/zinc/35/01/24/1196350124.db2.gz PMUYZDQWTYGMDC-IBGZPJMESA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125450 1196350129 /nfs/dbraw/zinc/35/01/29/1196350129.db2.gz PMUYZDQWTYGMDC-IBGZPJMESA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125450 1196350134 /nfs/dbraw/zinc/35/01/34/1196350134.db2.gz PMUYZDQWTYGMDC-IBGZPJMESA-N 2 1 306.494 3.074 20 0 DGADMP c1cc(N2CCCC2)nc(NCCCCC[NH+]2CCCCC2)[nH+]1 ZINC000733190252 574606856 /nfs/dbraw/zinc/60/68/56/574606856.db2.gz CQRIDDOKGGICCI-UHFFFAOYSA-N 2 1 317.481 3.145 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000733186724 574605422 /nfs/dbraw/zinc/60/54/22/574605422.db2.gz DXNWGEBUNPCTQT-MRXNPFEDSA-N 2 1 317.481 3.143 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000733186724 574605423 /nfs/dbraw/zinc/60/54/23/574605423.db2.gz DXNWGEBUNPCTQT-MRXNPFEDSA-N 2 1 317.481 3.143 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cn3ccc(-c4ccccc4)n3)C2)cn1 ZINC000738159226 574860052 /nfs/dbraw/zinc/86/00/52/574860052.db2.gz REDIFGQUOOVMDT-KRWDZBQOSA-N 2 1 307.401 3.041 20 0 DGADMP c1cn([C@H]2CCCN(Cn3ccc(-c4ccccc4)n3)C2)cn1 ZINC000738159226 574860054 /nfs/dbraw/zinc/86/00/54/574860054.db2.gz REDIFGQUOOVMDT-KRWDZBQOSA-N 2 1 307.401 3.041 20 0 DGADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375745 574993988 /nfs/dbraw/zinc/99/39/88/574993988.db2.gz VVFSBNQCMQCIDR-IINYFYTJSA-N 2 1 318.490 3.189 20 0 DGADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375745 574993991 /nfs/dbraw/zinc/99/39/91/574993991.db2.gz VVFSBNQCMQCIDR-IINYFYTJSA-N 2 1 318.490 3.189 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000743857326 575066440 /nfs/dbraw/zinc/06/64/40/575066440.db2.gz PPXLISUOLSRJFD-VQTJNVASSA-N 2 1 318.505 3.095 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000743857326 575066442 /nfs/dbraw/zinc/06/64/42/575066442.db2.gz PPXLISUOLSRJFD-VQTJNVASSA-N 2 1 318.505 3.095 20 0 DGADMP Cc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398179769 575961146 /nfs/dbraw/zinc/96/11/46/575961146.db2.gz WTZBQMFKRYNPHD-JXFKEZNVSA-N 2 1 309.457 3.390 20 0 DGADMP C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726072365 576006242 /nfs/dbraw/zinc/00/62/42/576006242.db2.gz QIHHFDDTVMSCKD-FQEVSTJZSA-N 2 1 324.468 3.242 20 0 DGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726072365 576006245 /nfs/dbraw/zinc/00/62/45/576006245.db2.gz QIHHFDDTVMSCKD-FQEVSTJZSA-N 2 1 324.468 3.242 20 0 DGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240255 620680877 /nfs/dbraw/zinc/68/08/77/620680877.db2.gz NTTVKWKFFJSRNQ-XJKSGUPXSA-N 2 1 305.466 3.318 20 0 DGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240255 620680878 /nfs/dbraw/zinc/68/08/78/620680878.db2.gz NTTVKWKFFJSRNQ-XJKSGUPXSA-N 2 1 305.466 3.318 20 0 DGADMP Clc1n[nH]c(C2CC2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000891611675 617850969 /nfs/dbraw/zinc/85/09/69/617850969.db2.gz UDCYVDZLHDODMH-UHFFFAOYSA-N 2 1 322.884 3.248 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327571 617940152 /nfs/dbraw/zinc/94/01/52/617940152.db2.gz XUKDQJVVFDOEKJ-GOEBONIOSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327571 617940157 /nfs/dbraw/zinc/94/01/57/617940157.db2.gz XUKDQJVVFDOEKJ-GOEBONIOSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327566 617940299 /nfs/dbraw/zinc/94/02/99/617940299.db2.gz XUKDQJVVFDOEKJ-GDBMZVCRSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327566 617940303 /nfs/dbraw/zinc/94/03/03/617940303.db2.gz XUKDQJVVFDOEKJ-GDBMZVCRSA-N 2 1 301.459 3.316 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000892076545 617957145 /nfs/dbraw/zinc/95/71/45/617957145.db2.gz ZOXIQVBNDLTOBJ-GOSISDBHSA-N 2 1 315.461 3.094 20 0 DGADMP c1ncn2ccnc(NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000892078335 617957863 /nfs/dbraw/zinc/95/78/63/617957863.db2.gz KSJSFSSYAPQSTC-KRWDZBQOSA-N 2 1 321.428 3.053 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000926346386 617959353 /nfs/dbraw/zinc/95/93/53/617959353.db2.gz CCMYUYPDPIJPQA-LPHOPBHVSA-N 2 1 301.478 3.399 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2nccc3c2CCCC3)C1 ZINC000892145759 617974856 /nfs/dbraw/zinc/97/48/56/617974856.db2.gz SZDXUTVLRNHCNN-QGZVFWFLSA-N 2 1 313.489 3.124 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892145759 617974857 /nfs/dbraw/zinc/97/48/57/617974857.db2.gz SZDXUTVLRNHCNN-QGZVFWFLSA-N 2 1 313.489 3.124 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892145759 617974859 /nfs/dbraw/zinc/97/48/59/617974859.db2.gz SZDXUTVLRNHCNN-QGZVFWFLSA-N 2 1 313.489 3.124 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892145759 617974860 /nfs/dbraw/zinc/97/48/60/617974860.db2.gz SZDXUTVLRNHCNN-QGZVFWFLSA-N 2 1 313.489 3.124 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892145759 617974861 /nfs/dbraw/zinc/97/48/61/617974861.db2.gz SZDXUTVLRNHCNN-QGZVFWFLSA-N 2 1 313.489 3.124 20 0 DGADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000892233111 617990773 /nfs/dbraw/zinc/99/07/73/617990773.db2.gz CVWXDZFLLPWDTM-VAMGGRTRSA-N 2 1 316.489 3.029 20 0 DGADMP COC1CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237443 617992600 /nfs/dbraw/zinc/99/26/00/617992600.db2.gz YXRVYYPZFFXJAN-KXWSQRDISA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237443 617992604 /nfs/dbraw/zinc/99/26/04/617992604.db2.gz YXRVYYPZFFXJAN-KXWSQRDISA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237443 617992607 /nfs/dbraw/zinc/99/26/07/617992607.db2.gz YXRVYYPZFFXJAN-KXWSQRDISA-N 2 1 306.494 3.140 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926457797 618025289 /nfs/dbraw/zinc/02/52/89/618025289.db2.gz RLGAQPZXZQPUOJ-JENIJYKNSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926457797 618025292 /nfs/dbraw/zinc/02/52/92/618025292.db2.gz RLGAQPZXZQPUOJ-JENIJYKNSA-N 2 1 320.525 3.150 20 0 DGADMP CC(C)(C[NH2+]C[C@H]1C[C@@]1(C)Br)[NH+]1CCCCC1 ZINC000892433095 618064818 /nfs/dbraw/zinc/06/48/18/618064818.db2.gz RDDHYORILLYXNN-TZMCWYRMSA-N 2 1 303.288 3.014 20 0 DGADMP c1cn(C2CC2)c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000892467826 618073369 /nfs/dbraw/zinc/07/33/69/618073369.db2.gz LYIOMOMZVUNYJS-UHFFFAOYSA-N 2 1 324.472 3.494 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892583777 618112798 /nfs/dbraw/zinc/11/27/98/618112798.db2.gz DXZSJOFUXXXTOY-QLFBSQMISA-N 2 1 317.315 3.262 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc2O1 ZINC000894417423 618320714 /nfs/dbraw/zinc/32/07/14/618320714.db2.gz MOHIWGKOXFKKFD-DTWYCDNDSA-N 2 1 300.446 3.067 20 0 DGADMP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c(n1)CCCC2 ZINC000894417934 618321159 /nfs/dbraw/zinc/32/11/59/618321159.db2.gz XQBRYQZUSAZMQT-JWTNVVGKSA-N 2 1 313.489 3.326 20 0 DGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2c(n1)CCCC2 ZINC000894417934 618321179 /nfs/dbraw/zinc/32/11/79/618321179.db2.gz XQBRYQZUSAZMQT-JWTNVVGKSA-N 2 1 313.489 3.326 20 0 DGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c(n1)CCCC2 ZINC000894417934 618321183 /nfs/dbraw/zinc/32/11/83/618321183.db2.gz XQBRYQZUSAZMQT-JWTNVVGKSA-N 2 1 313.489 3.326 20 0 DGADMP C[C@H]1C[C@H](Nc2nccn3cncc23)CC[N@H+]1Cc1ccccc1 ZINC000892848044 618327173 /nfs/dbraw/zinc/32/71/73/618327173.db2.gz QUUWNVKDKICFPW-DOTOQJQBSA-N 2 1 321.428 3.194 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cc1cn(C)nc1C1CCCC1 ZINC000894475953 618348725 /nfs/dbraw/zinc/34/87/25/618348725.db2.gz LAFIQMRMAFNXGM-UHFFFAOYSA-N 2 1 315.465 3.105 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1C1CCCC1 ZINC000894475953 618348728 /nfs/dbraw/zinc/34/87/28/618348728.db2.gz LAFIQMRMAFNXGM-UHFFFAOYSA-N 2 1 315.465 3.105 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C2CC2)c1 ZINC000892938328 618358064 /nfs/dbraw/zinc/35/80/64/618358064.db2.gz LKJQDSSCXZVDDO-UHFFFAOYSA-N 2 1 312.461 3.039 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000893085531 618419776 /nfs/dbraw/zinc/41/97/76/618419776.db2.gz GQGUZFCCCSPRBK-YQQQUEKLSA-N 2 1 301.478 3.385 20 0 DGADMP C[NH+](C)C1(CN[C@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925510111 618443412 /nfs/dbraw/zinc/44/34/12/618443412.db2.gz RWJGJCAWDXCWPK-GOSISDBHSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000925521399 618456725 /nfs/dbraw/zinc/45/67/25/618456725.db2.gz UGSQGEAPFYVOOW-XJKSGUPXSA-N 2 1 301.459 3.083 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000925586794 618501333 /nfs/dbraw/zinc/50/13/33/618501333.db2.gz FLIRTEMRTZRJLU-HOTGVXAUSA-N 2 1 305.466 3.109 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000925586794 618501335 /nfs/dbraw/zinc/50/13/35/618501335.db2.gz FLIRTEMRTZRJLU-HOTGVXAUSA-N 2 1 305.466 3.109 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000925588503 618501921 /nfs/dbraw/zinc/50/19/21/618501921.db2.gz QOOSIPLYQYZZGA-LPHOPBHVSA-N 2 1 308.510 3.149 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895292250 618588888 /nfs/dbraw/zinc/58/88/88/618588888.db2.gz OICCMQHZQBMIHD-NSHDSACASA-N 2 1 306.479 3.011 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCCC2 ZINC000925777798 618616623 /nfs/dbraw/zinc/61/66/23/618616623.db2.gz HHTZNTSJHBWJFA-CXAGYDPISA-N 2 1 308.416 3.461 20 0 DGADMP COC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)cc1 ZINC000925838715 618642703 /nfs/dbraw/zinc/64/27/03/618642703.db2.gz CPXRIUUFQHBMBM-BRWVUGGUSA-N 2 1 308.853 3.149 20 0 DGADMP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893860874 618667658 /nfs/dbraw/zinc/66/76/58/618667658.db2.gz XZGXSIVVLYGXNR-KBXCAEBGSA-N 2 1 322.880 3.444 20 0 DGADMP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000893860874 618667660 /nfs/dbraw/zinc/66/76/60/618667660.db2.gz XZGXSIVVLYGXNR-KBXCAEBGSA-N 2 1 322.880 3.444 20 0 DGADMP Cc1ccccc1[C@@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000893913060 618675475 /nfs/dbraw/zinc/67/54/75/618675475.db2.gz LXXBWRUNKUEJTG-PNEOLPHYSA-N 2 1 315.505 3.201 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086512 618705131 /nfs/dbraw/zinc/70/51/31/618705131.db2.gz HEXFJYMRYACXPH-CQSZACIVSA-N 2 1 312.404 3.104 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086512 618705134 /nfs/dbraw/zinc/70/51/34/618705134.db2.gz HEXFJYMRYACXPH-CQSZACIVSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086512 618705136 /nfs/dbraw/zinc/70/51/36/618705136.db2.gz HEXFJYMRYACXPH-CQSZACIVSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086512 618705138 /nfs/dbraw/zinc/70/51/38/618705138.db2.gz HEXFJYMRYACXPH-CQSZACIVSA-N 2 1 312.404 3.104 20 0 DGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccccc1 ZINC000894144409 618720016 /nfs/dbraw/zinc/72/00/16/618720016.db2.gz ULTNDMIHPNYMQS-TZOQOTQKSA-N 2 1 302.462 3.104 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCCC[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000894181130 618725015 /nfs/dbraw/zinc/72/50/15/618725015.db2.gz VFDIQSHJSFDIRD-CQSZACIVSA-N 2 1 316.449 3.133 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000924958391 618749474 /nfs/dbraw/zinc/74/94/74/618749474.db2.gz JSLCSQNPXREASY-WOJBJXKFSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924959821 618749786 /nfs/dbraw/zinc/74/97/86/618749786.db2.gz MHZWOABBTLBXMA-BBRMVZONSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924959821 618749788 /nfs/dbraw/zinc/74/97/88/618749788.db2.gz MHZWOABBTLBXMA-BBRMVZONSA-N 2 1 307.869 3.432 20 0 DGADMP COCCCC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC000895479295 618789835 /nfs/dbraw/zinc/78/98/35/618789835.db2.gz PCPYRLBUUNOXTD-GOSISDBHSA-N 2 1 308.510 3.295 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc2oc(=O)oc2c1 ZINC000895683189 618818354 /nfs/dbraw/zinc/81/83/54/618818354.db2.gz INGXRBNENGDUEB-UHFFFAOYSA-N 2 1 318.417 3.084 20 0 DGADMP Cn1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C(C)(C)C)n1 ZINC000895683893 618818511 /nfs/dbraw/zinc/81/85/11/618818511.db2.gz XKPQYWWMLMQTBK-UHFFFAOYSA-N 2 1 320.525 3.416 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925133125 618904465 /nfs/dbraw/zinc/90/44/65/618904465.db2.gz BMZHRVVLJVDCQK-FZMWSMFESA-N 2 1 322.518 3.392 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925133125 618904467 /nfs/dbraw/zinc/90/44/67/618904467.db2.gz BMZHRVVLJVDCQK-FZMWSMFESA-N 2 1 322.518 3.392 20 0 DGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(OC)n1 ZINC000925134088 618915040 /nfs/dbraw/zinc/91/50/40/618915040.db2.gz PEEJCUXKFWMEHA-OAHLLOKOSA-N 2 1 302.422 3.116 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C3CC3)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000925226162 619083010 /nfs/dbraw/zinc/08/30/10/619083010.db2.gz YAPNCLVILCLBHT-SFHVURJKSA-N 2 1 316.493 3.477 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3ccccc3C2)s1 ZINC000897709456 619174903 /nfs/dbraw/zinc/17/49/03/619174903.db2.gz PYGBXJYQSYDJBV-INIZCTEOSA-N 2 1 315.486 3.242 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000898179653 619223445 /nfs/dbraw/zinc/22/34/45/619223445.db2.gz MHTAKYLNLQANTE-OAHLLOKOSA-N 2 1 304.482 3.208 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000924683701 619256845 /nfs/dbraw/zinc/25/68/45/619256845.db2.gz AUQFEUAMHDQWBG-QRQLOZEOSA-N 2 1 308.510 3.436 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924693628 619258366 /nfs/dbraw/zinc/25/83/66/619258366.db2.gz FACJCWNKDOLYJT-OTWHNJEPSA-N 2 1 308.510 3.292 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518062 619283731 /nfs/dbraw/zinc/28/37/31/619283731.db2.gz XJGLMUUUIVAYBR-ZJXIFLPPSA-N 2 1 316.489 3.300 20 0 DGADMP CCOC[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522072 619284008 /nfs/dbraw/zinc/28/40/08/619284008.db2.gz KBNKDJRSKMLLQJ-RNQOJCNYSA-N 2 1 316.489 3.302 20 0 DGADMP CCc1cc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)[nH]n1 ZINC000902317617 619618493 /nfs/dbraw/zinc/61/84/93/619618493.db2.gz DBHKJPJNLKLXNH-KRWDZBQOSA-N 2 1 322.403 3.210 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902344738 619619561 /nfs/dbraw/zinc/61/95/61/619619561.db2.gz FGMFCVMIYGDGOA-FGTMMUONSA-N 3 1 309.542 3.112 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2nc(-c3ccncc3)cs2)C1 ZINC000902402666 619632123 /nfs/dbraw/zinc/63/21/23/619632123.db2.gz AQZVHYOFRDCVTH-AWEZNQCLSA-N 2 1 316.474 3.073 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CC2)ccc1SC(F)F ZINC000902416946 619632587 /nfs/dbraw/zinc/63/25/87/619632587.db2.gz PYEULRSETRTTCP-SECBINFHSA-N 2 1 302.390 3.152 20 0 DGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902418178 619632979 /nfs/dbraw/zinc/63/29/79/619632979.db2.gz WHEJHAWAFIYKII-JTQLQIEISA-N 2 1 305.422 3.400 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000902413766 619637533 /nfs/dbraw/zinc/63/75/33/619637533.db2.gz ONULRBDVASHLAF-KRWDZBQOSA-N 2 1 302.368 3.330 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902750013 619669824 /nfs/dbraw/zinc/66/98/24/619669824.db2.gz YJONZRUURRYLLL-QTCMIBMWSA-N 2 1 320.521 3.148 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754211 619670808 /nfs/dbraw/zinc/67/08/08/619670808.db2.gz YMYUFYWRNUZULG-VXGBXAGGSA-N 2 1 301.356 3.093 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754211 619670809 /nfs/dbraw/zinc/67/08/09/619670809.db2.gz YMYUFYWRNUZULG-VXGBXAGGSA-N 2 1 301.356 3.093 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761585 619672060 /nfs/dbraw/zinc/67/20/60/619672060.db2.gz SYMQTSFWQYOFTQ-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761585 619672063 /nfs/dbraw/zinc/67/20/63/619672063.db2.gz SYMQTSFWQYOFTQ-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000903017282 619701983 /nfs/dbraw/zinc/70/19/83/619701983.db2.gz MGFFQXUKVYQXDN-HZPDHXFCSA-N 2 1 318.461 3.164 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903017631 619702218 /nfs/dbraw/zinc/70/22/18/619702218.db2.gz QKYXQADPDAANFD-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ccccc1F)C1CCOCC1 ZINC000903056626 619707331 /nfs/dbraw/zinc/70/73/31/619707331.db2.gz WWFIOAKQEVNPTD-SFHVURJKSA-N 2 1 322.468 3.471 20 0 DGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075726 619711887 /nfs/dbraw/zinc/71/18/87/619711887.db2.gz CHKFWUVXCUNIAB-IDVPMLNVSA-N 2 1 319.537 3.100 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076392 619711896 /nfs/dbraw/zinc/71/18/96/619711896.db2.gz OQXYJPTTZQFZCD-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076392 619711897 /nfs/dbraw/zinc/71/18/97/619711897.db2.gz OQXYJPTTZQFZCD-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(COC(C)=O)c2)C1 ZINC000903075739 619711902 /nfs/dbraw/zinc/71/19/02/619711902.db2.gz CKJBVRZPFDDYKT-CRAIPNDOSA-N 2 1 318.461 3.132 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903072879 619715476 /nfs/dbraw/zinc/71/54/76/619715476.db2.gz LQOOSXAGMRBBTM-KSZLIROESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCC[C@](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)([NH+](C)C)C1 ZINC000903072163 619715514 /nfs/dbraw/zinc/71/55/14/619715514.db2.gz CQXXHGPPRFDYDS-DSLRARGZSA-N 2 1 319.537 3.244 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000903097799 619715828 /nfs/dbraw/zinc/71/58/28/619715828.db2.gz JRTYVNMRRLEXBE-ZYSHUDEJSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000903099492 619716272 /nfs/dbraw/zinc/71/62/72/619716272.db2.gz ITWODTUORZRZFE-MPTYRVRUSA-N 2 1 308.491 3.288 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000903099492 619716273 /nfs/dbraw/zinc/71/62/73/619716273.db2.gz ITWODTUORZRZFE-MPTYRVRUSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903092956 619719252 /nfs/dbraw/zinc/71/92/52/619719252.db2.gz NMSOUVLWLJZYRY-KXBFYZLASA-N 2 1 320.452 3.225 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903114160 619720499 /nfs/dbraw/zinc/72/04/99/619720499.db2.gz VDNAQVLHCKKVDD-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903114160 619720501 /nfs/dbraw/zinc/72/05/01/619720501.db2.gz VDNAQVLHCKKVDD-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903125724 619722273 /nfs/dbraw/zinc/72/22/73/619722273.db2.gz OFUDTERZZAAIBD-APWZRJJASA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903125724 619722276 /nfs/dbraw/zinc/72/22/76/619722276.db2.gz OFUDTERZZAAIBD-APWZRJJASA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903142023 619724992 /nfs/dbraw/zinc/72/49/92/619724992.db2.gz XBKAGPRVXSOLEJ-HUUCDWIBSA-N 2 1 306.494 3.328 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)[C@@H](C)C1 ZINC000903162681 619728106 /nfs/dbraw/zinc/72/81/06/619728106.db2.gz MRLFEQVBOSUGLO-CADBVGFASA-N 2 1 308.510 3.293 20 0 DGADMP COCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C)o1 ZINC000903147926 619728844 /nfs/dbraw/zinc/72/88/44/619728844.db2.gz UWMMJAICMIUTQB-NXCDMZCRSA-N 2 1 318.461 3.413 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000903179874 619731350 /nfs/dbraw/zinc/73/13/50/619731350.db2.gz VBXPBDHZHUMOHZ-DUZACMNTSA-N 2 1 304.478 3.083 20 0 DGADMP c1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CO2 ZINC000903167016 619732427 /nfs/dbraw/zinc/73/24/27/619732427.db2.gz VUEAJSJZOTWUNI-VBZNHOPUSA-N 2 1 312.457 3.128 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)[C@H](c2ccccc2)C1 ZINC000903193479 619733460 /nfs/dbraw/zinc/73/34/60/619733460.db2.gz DYRMAMQGZVLLGW-CEXWTWQISA-N 2 1 314.473 3.023 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)[C@H](c2ccccc2)C1 ZINC000903194159 619733715 /nfs/dbraw/zinc/73/37/15/619733715.db2.gz JOVAOGKARIGODR-SVFBPWRDSA-N 2 1 321.468 3.468 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)[C@H](c2ccccc2)C1 ZINC000903194159 619733717 /nfs/dbraw/zinc/73/37/17/619733717.db2.gz JOVAOGKARIGODR-SVFBPWRDSA-N 2 1 321.468 3.468 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC12CCSCC2 ZINC000903190517 619737364 /nfs/dbraw/zinc/73/73/64/619737364.db2.gz WNWASWCAACOMEO-YTTRVJOFSA-N 2 1 306.519 3.267 20 0 DGADMP Cc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000903206566 619738668 /nfs/dbraw/zinc/73/86/68/619738668.db2.gz KQJZDOQBVVJIEE-ZNXRZULTSA-N 2 1 313.489 3.415 20 0 DGADMP O=c1[nH]cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc12 ZINC000903221964 619741560 /nfs/dbraw/zinc/74/15/60/619741560.db2.gz VATIPHZTKINVLF-ZXFUBFMLSA-N 2 1 323.440 3.188 20 0 DGADMP C[C@@H]1COC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000903393505 619767135 /nfs/dbraw/zinc/76/71/35/619767135.db2.gz OBRBUDPWNWCWRC-JYPHPWERSA-N 2 1 302.462 3.054 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000903441500 619775806 /nfs/dbraw/zinc/77/58/06/619775806.db2.gz VKXLQXODJHIAPD-MTFMMBMASA-N 2 1 316.489 3.482 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000903442712 619777295 /nfs/dbraw/zinc/77/72/95/619777295.db2.gz ZORCROMKFBBYAA-IZBJGVDFSA-N 2 1 315.505 3.271 20 0 DGADMP C[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1CC[NH3+] ZINC000903461471 619777459 /nfs/dbraw/zinc/77/74/59/619777459.db2.gz UVUTYYIGKOSYOH-RKTXRCNFSA-N 2 1 308.416 3.485 20 0 DGADMP C[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903445696 619777730 /nfs/dbraw/zinc/77/77/30/619777730.db2.gz NBKPFZLCEICCEO-PFUJJPPESA-N 2 1 306.400 3.250 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903453763 619779463 /nfs/dbraw/zinc/77/94/63/619779463.db2.gz KUCNAXLEOPJCIG-XSLAGTTESA-N 2 1 320.427 3.499 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ncc[nH]1 ZINC000903455645 619779697 /nfs/dbraw/zinc/77/96/97/619779697.db2.gz OGIWJQZEVGBDPA-OQIJWPOYSA-N 2 1 324.472 3.361 20 0 DGADMP COC[C@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCc2ccccc21 ZINC000903474745 619780164 /nfs/dbraw/zinc/78/01/64/619780164.db2.gz SDZFZRUSNPEPKI-HIRMHNASSA-N 2 1 302.462 3.138 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000903498873 619781635 /nfs/dbraw/zinc/78/16/35/619781635.db2.gz MCUMONFZAQVFEC-DGCLKSJQSA-N 2 1 302.340 3.002 20 0 DGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724293 619804104 /nfs/dbraw/zinc/80/41/04/619804104.db2.gz MUUMOQAOPZJEBZ-HKUYNNGSSA-N 2 1 314.473 3.291 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725158 619804711 /nfs/dbraw/zinc/80/47/11/619804711.db2.gz XLIISFADXJEHNR-RHSMWYFYSA-N 2 1 322.880 3.492 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903726705 619805008 /nfs/dbraw/zinc/80/50/08/619805008.db2.gz NGNYWCVSCIPMSU-IBGZPJMESA-N 2 1 304.478 3.305 20 0 DGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730157 619805468 /nfs/dbraw/zinc/80/54/68/619805468.db2.gz UVKPVUVMPUNJPR-BHIYHBOVSA-N 2 1 314.473 3.023 20 0 DGADMP C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765884 619809422 /nfs/dbraw/zinc/80/94/22/619809422.db2.gz LZYZXNDOQGTWIO-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)cc1F ZINC000903765019 619809799 /nfs/dbraw/zinc/80/97/99/619809799.db2.gz DPBCGNYLNDADKE-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767599 619810112 /nfs/dbraw/zinc/81/01/12/619810112.db2.gz IQCWDZOJXPWORP-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903768154 619810269 /nfs/dbraw/zinc/81/02/69/619810269.db2.gz KYBOZUPSUFAVKB-RTBURBONSA-N 2 1 314.473 3.025 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903755552 619810558 /nfs/dbraw/zinc/81/05/58/619810558.db2.gz JFEZUSRGGIOIEZ-YZGWKJHDSA-N 2 1 314.473 3.209 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777459 619812464 /nfs/dbraw/zinc/81/24/64/619812464.db2.gz BJZXTTCBXKHMOQ-IAOVAPTHSA-N 2 1 308.853 3.101 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000903801962 619816108 /nfs/dbraw/zinc/81/61/08/619816108.db2.gz PZBRAROHINHAFU-INDMIFKZSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000903801962 619816110 /nfs/dbraw/zinc/81/61/10/619816110.db2.gz PZBRAROHINHAFU-INDMIFKZSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000903801963 619816249 /nfs/dbraw/zinc/81/62/49/619816249.db2.gz PZBRAROHINHAFU-WJFTUGDTSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000903801963 619816251 /nfs/dbraw/zinc/81/62/51/619816251.db2.gz PZBRAROHINHAFU-WJFTUGDTSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC000903843800 619822640 /nfs/dbraw/zinc/82/26/40/619822640.db2.gz TXTIHYXBIRLCJA-BPUTZDHNSA-N 2 1 312.379 3.450 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000903843640 619822864 /nfs/dbraw/zinc/82/28/64/619822864.db2.gz OXEHDFMWXMNSLG-UAGQMJEPSA-N 2 1 309.413 3.186 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1ccc3ccccc3c1)C2 ZINC000903847467 619823597 /nfs/dbraw/zinc/82/35/97/619823597.db2.gz UWXOISSSBOJBRW-IPELMVKDSA-N 2 1 310.441 3.420 20 0 DGADMP Cc1ccc(N2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903874241 619827344 /nfs/dbraw/zinc/82/73/44/619827344.db2.gz VWPCTTUDKXIYDW-YQQQUEKLSA-N 2 1 313.489 3.038 20 0 DGADMP c1csc(C[N@@H+](C[C@H]2CCCO2)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903876784 619827774 /nfs/dbraw/zinc/82/77/74/619827774.db2.gz IPJJVSFZRJLPRB-NPYXIHBLSA-N 2 1 320.502 3.260 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903893787 619829081 /nfs/dbraw/zinc/82/90/81/619829081.db2.gz ZMYMZENOJQCEAB-HNNXBMFYSA-N 2 1 310.441 3.101 20 0 DGADMP Fc1ccc(C[C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903897447 619829902 /nfs/dbraw/zinc/82/99/02/619829902.db2.gz ZCIWOWSQVHCCKU-WELJNPPOSA-N 2 1 302.437 3.221 20 0 DGADMP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913945 619833644 /nfs/dbraw/zinc/83/36/44/619833644.db2.gz GEYJEOIOVSXHIV-BLLLJJGKSA-N 2 1 312.379 3.495 20 0 DGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903938852 619835349 /nfs/dbraw/zinc/83/53/49/619835349.db2.gz NFJIOROYPAPJDW-UHFFFAOYSA-N 2 1 320.868 3.110 20 0 DGADMP Cc1ncc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000903959816 619839632 /nfs/dbraw/zinc/83/96/32/619839632.db2.gz PIQUEKCEILAMRT-HXUWFJFHSA-N 2 1 324.472 3.146 20 0 DGADMP Cc1ncc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000903959816 619839634 /nfs/dbraw/zinc/83/96/34/619839634.db2.gz PIQUEKCEILAMRT-HXUWFJFHSA-N 2 1 324.472 3.146 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000903948995 619844534 /nfs/dbraw/zinc/84/45/34/619844534.db2.gz XQDVCEPBQRDPIA-UHFFFAOYSA-N 3 1 315.505 3.030 20 0 DGADMP CCCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954228 619846077 /nfs/dbraw/zinc/84/60/77/619846077.db2.gz AUDOYHSVOQMBHU-OAHLLOKOSA-N 2 1 312.404 3.200 20 0 DGADMP CC(C)c1ccc(CC[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973499 619847380 /nfs/dbraw/zinc/84/73/80/619847380.db2.gz PBAOPKPNLXNNMX-IBGZPJMESA-N 2 1 316.489 3.101 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000904305266 619911433 /nfs/dbraw/zinc/91/14/33/619911433.db2.gz JHONASRTSQDZSZ-BFQNTYOBSA-N 2 1 304.484 3.494 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000904305359 619911460 /nfs/dbraw/zinc/91/14/60/619911460.db2.gz LSJROVCLXSWWFZ-QFBILLFUSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@]1(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000904337128 619912743 /nfs/dbraw/zinc/91/27/43/619912743.db2.gz ORMXTKKZTPDELT-IBGZPJMESA-N 2 1 318.436 3.110 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000904342614 619914631 /nfs/dbraw/zinc/91/46/31/619914631.db2.gz LMPOKMDKXGZUKI-SOUVJXGZSA-N 2 1 308.853 3.168 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)cc1F ZINC000904381195 619918561 /nfs/dbraw/zinc/91/85/61/619918561.db2.gz LGCOUQKRLRHETA-YJBOKZPZSA-N 2 1 306.425 3.013 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1Oc1cccnc1 ZINC000904406669 619919878 /nfs/dbraw/zinc/91/98/78/619919878.db2.gz UFJZTBUHJRFVCR-INIZCTEOSA-N 2 1 311.429 3.353 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904411895 619920760 /nfs/dbraw/zinc/92/07/60/619920760.db2.gz PPUMMWVWFWOKJE-TZMCWYRMSA-N 2 1 318.852 3.147 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000904434702 619921992 /nfs/dbraw/zinc/92/19/92/619921992.db2.gz XTUIBOVZCMYCAX-OAHLLOKOSA-N 2 1 320.502 3.032 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000904420364 619922301 /nfs/dbraw/zinc/92/23/01/619922301.db2.gz LXZCFTZXDBGEEO-VHDGCEQUSA-N 2 1 312.379 3.350 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000904421063 619922424 /nfs/dbraw/zinc/92/24/24/619922424.db2.gz NFYCDLXTCXVJLG-UONOGXRCSA-N 2 1 300.377 3.127 20 0 DGADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000904442461 619923101 /nfs/dbraw/zinc/92/31/01/619923101.db2.gz DAXKYHPUPCLGFE-DAXSKMNVSA-N 2 1 308.425 3.360 20 0 DGADMP Cc1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)ccc1C[NH+](C)C ZINC000909927245 620262218 /nfs/dbraw/zinc/26/22/18/620262218.db2.gz OFGSCRDJRZIZLR-ZWKOTPCHSA-N 2 1 315.461 3.012 20 0 DGADMP Cc1cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)ccc1C[NH+](C)C ZINC000909927243 620262281 /nfs/dbraw/zinc/26/22/81/620262281.db2.gz OFGSCRDJRZIZLR-QZTJIDSGSA-N 2 1 315.461 3.012 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn(C)cn2)c1 ZINC000924827973 620265519 /nfs/dbraw/zinc/26/55/19/620265519.db2.gz FMZISQZXGQMLJF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn(C)cn2)c1 ZINC000924827973 620265520 /nfs/dbraw/zinc/26/55/20/620265520.db2.gz FMZISQZXGQMLJF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2)C1 ZINC000840744251 620456102 /nfs/dbraw/zinc/45/61/02/620456102.db2.gz DJGJPLNSQMRIMP-GQIGUUNPSA-N 2 1 316.489 3.025 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000153697249 620594444 /nfs/dbraw/zinc/59/44/44/620594444.db2.gz YQEIBURXGSPCAM-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c1 ZINC000921687044 620933868 /nfs/dbraw/zinc/93/38/68/620933868.db2.gz VWUKUBAUKLGPTL-XUVXKRRUSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000921688668 620934195 /nfs/dbraw/zinc/93/41/95/620934195.db2.gz AVMNLVIEEXXOEF-WBVHZDCISA-N 2 1 302.462 3.220 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C2CCCC2)n1 ZINC000921817591 620955042 /nfs/dbraw/zinc/95/50/42/620955042.db2.gz LJBVPBYQUODHKG-SJORKVTESA-N 2 1 304.482 3.040 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921914237 620967829 /nfs/dbraw/zinc/96/78/29/620967829.db2.gz HUWXHJXTMUJTIT-INIZCTEOSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921914237 620967832 /nfs/dbraw/zinc/96/78/32/620967832.db2.gz HUWXHJXTMUJTIT-INIZCTEOSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3C[C@H]3C)C2)ccn1 ZINC000856559150 621004755 /nfs/dbraw/zinc/00/47/55/621004755.db2.gz NKCQBMPHOVLHNO-MDZRGWNJSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3C[C@H]3C)C2)ccn1 ZINC000856559150 621004759 /nfs/dbraw/zinc/00/47/59/621004759.db2.gz NKCQBMPHOVLHNO-MDZRGWNJSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3C[C@H]3C)C2)ccn1 ZINC000856559150 621004761 /nfs/dbraw/zinc/00/47/61/621004761.db2.gz NKCQBMPHOVLHNO-MDZRGWNJSA-N 2 1 317.477 3.031 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(C)nc1Cl ZINC000856764478 621017045 /nfs/dbraw/zinc/01/70/45/621017045.db2.gz BPGHYNNZUMNGSK-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccsc3C)C2)[C@H]1C(C)C ZINC000922392633 621032982 /nfs/dbraw/zinc/03/29/82/621032982.db2.gz FAVGIOOSEQOHNH-TVFCKZIOSA-N 2 1 322.518 3.016 20 0 DGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000922631880 621070899 /nfs/dbraw/zinc/07/08/99/621070899.db2.gz XXTFKNKRGRZQON-GVDBMIGSSA-N 2 1 307.507 3.338 20 0 DGADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCO1 ZINC000922814997 621104200 /nfs/dbraw/zinc/10/42/00/621104200.db2.gz BXKUWPYNKMTZDE-HXUWFJFHSA-N 2 1 316.489 3.242 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819877 621105091 /nfs/dbraw/zinc/10/50/91/621105091.db2.gz DSXWRXMVELJEAG-OALUTQOASA-N 2 1 316.489 3.324 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819877 621105092 /nfs/dbraw/zinc/10/50/92/621105092.db2.gz DSXWRXMVELJEAG-OALUTQOASA-N 2 1 316.489 3.324 20 0 DGADMP c1[nH]nc2c1CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000857849765 621122451 /nfs/dbraw/zinc/12/24/51/621122451.db2.gz KQQNKMUJUNMRKB-LJQANCHMSA-N 2 1 324.472 3.289 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1(C)C ZINC000858139593 621156660 /nfs/dbraw/zinc/15/66/60/621156660.db2.gz WVPZICIYTJDTTC-QZTJIDSGSA-N 2 1 318.505 3.480 20 0 DGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)c1ccc(C)cc1 ZINC000923313805 621174016 /nfs/dbraw/zinc/17/40/16/621174016.db2.gz KEABXFMRCRDOEL-ZNBHLAFESA-N 2 1 316.489 3.271 20 0 DGADMP c1ccc(C[N@@H+](CCC[NH2+]C2CC2)CC2CCOCC2)cc1 ZINC000923313761 621174110 /nfs/dbraw/zinc/17/41/10/621174110.db2.gz YTPOSVABCOFLIO-UHFFFAOYSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](c2ccccc2)CO1 ZINC000923314008 621174174 /nfs/dbraw/zinc/17/41/74/621174174.db2.gz PDFHWBOPIGFNBK-NSEAXLEKSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccn(-c2ccccc2)n1 ZINC000923305367 621174282 /nfs/dbraw/zinc/17/42/82/621174282.db2.gz AHEFBMMJXZLIOE-AYHJJNSGSA-N 2 1 324.472 3.225 20 0 DGADMP CC1CCC(N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000923324823 621176445 /nfs/dbraw/zinc/17/64/45/621176445.db2.gz LOCOFXMXCJMOPC-PFNPZRIDSA-N 2 1 319.537 3.103 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923387838 621180906 /nfs/dbraw/zinc/18/09/06/621180906.db2.gz ZHDJSMIZJKZRLM-MQVJKMGUSA-N 2 1 309.457 3.447 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1)C1CCCC1 ZINC000923420129 621184130 /nfs/dbraw/zinc/18/41/30/621184130.db2.gz GQULHHCQKVQVBC-FFZOFVMBSA-N 2 1 316.489 3.340 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496670 621187737 /nfs/dbraw/zinc/18/77/37/621187737.db2.gz CCKRJBVPQSTZJA-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC000923492388 621187902 /nfs/dbraw/zinc/18/79/02/621187902.db2.gz OAOUVFBWCISYSZ-WDEREUQCSA-N 2 1 315.230 3.005 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502056 621187925 /nfs/dbraw/zinc/18/79/25/621187925.db2.gz XAPSKIIXEYNCLT-OWCLPIDISA-N 2 1 317.477 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC[C@@H]1C[NH3+] ZINC000923493701 621188131 /nfs/dbraw/zinc/18/81/31/621188131.db2.gz UCHLBTUUQUYTBX-OQIJWPOYSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1C[NH3+] ZINC000923496869 621188450 /nfs/dbraw/zinc/18/84/50/621188450.db2.gz JYVHYZHOYFILJG-VXGBXAGGSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1C[NH3+] ZINC000923502496 621188507 /nfs/dbraw/zinc/18/85/07/621188507.db2.gz ZZEOEKIIKWERQX-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@H]1C[NH3+] ZINC000923499096 621188633 /nfs/dbraw/zinc/18/86/33/621188633.db2.gz JPIZXJPDVBJABU-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1C[NH3+] ZINC000923496864 621188791 /nfs/dbraw/zinc/18/87/91/621188791.db2.gz JYVHYZHOYFILJG-NEPJUHHUSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@@H]1C[NH3+] ZINC000923501854 621189316 /nfs/dbraw/zinc/18/93/16/621189316.db2.gz WECCDQIUWSXYTF-WDEREUQCSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499371 621189416 /nfs/dbraw/zinc/18/94/16/621189416.db2.gz KBRNIBCNKLKCKG-UPJWGTAASA-N 2 1 322.403 3.409 20 0 DGADMP CC(C)c1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923504265 621189734 /nfs/dbraw/zinc/18/97/34/621189734.db2.gz WBILVOQEBNDIPX-GJZGRUSLSA-N 2 1 320.481 3.356 20 0 DGADMP Clc1ncsc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507922 621190231 /nfs/dbraw/zinc/19/02/31/621190231.db2.gz SDPMFNYZBGTUPR-LBPRGKRZSA-N 2 1 313.898 3.398 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530339 621191861 /nfs/dbraw/zinc/19/18/61/621191861.db2.gz IAOKTEOIEZPOLH-MJGOQNOKSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530339 621191864 /nfs/dbraw/zinc/19/18/64/621191864.db2.gz IAOKTEOIEZPOLH-MJGOQNOKSA-N 2 1 302.462 3.057 20 0 DGADMP OCCCCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789353357 625470940 /nfs/dbraw/zinc/47/09/40/625470940.db2.gz SDFXCZWVJGTCFB-UHFFFAOYSA-N 2 1 319.493 3.342 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858492158 621197582 /nfs/dbraw/zinc/19/75/82/621197582.db2.gz UHZZIYUENDQGJM-CVEARBPZSA-N 2 1 302.462 3.394 20 0 DGADMP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000103229681 621289599 /nfs/dbraw/zinc/28/95/99/621289599.db2.gz BMVKBHCCTZFHPW-UYAOXDASSA-N 2 1 316.489 3.308 20 0 DGADMP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000103229681 621289602 /nfs/dbraw/zinc/28/96/02/621289602.db2.gz BMVKBHCCTZFHPW-UYAOXDASSA-N 2 1 316.489 3.308 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000838980521 621310363 /nfs/dbraw/zinc/31/03/63/621310363.db2.gz NKIUOXWTTGHEGV-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463547 621512292 /nfs/dbraw/zinc/51/22/92/621512292.db2.gz KUQWTPBHKDPNHJ-FUHIMQAGSA-N 2 1 316.489 3.271 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ccc(-c4ccccc4)n3)C2)CC1 ZINC000755780682 621593183 /nfs/dbraw/zinc/59/31/83/621593183.db2.gz PYBXCDYCLAKHIH-LJQANCHMSA-N 2 1 324.472 3.171 20 0 DGADMP CCC(C)(C)[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000864050148 621732198 /nfs/dbraw/zinc/73/21/98/621732198.db2.gz WILUJGHKORCFEJ-UHFFFAOYSA-N 2 1 305.466 3.013 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000757988074 621751628 /nfs/dbraw/zinc/75/16/28/621751628.db2.gz ZTPHZUBAHNSODE-KBXCAEBGSA-N 2 1 311.429 3.164 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC000865600718 621959710 /nfs/dbraw/zinc/95/97/10/621959710.db2.gz RUDOWBQWRQEYIJ-NSHDSACASA-N 2 1 302.249 3.210 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000865717406 621982430 /nfs/dbraw/zinc/98/24/30/621982430.db2.gz YBIYCRJHWDDPPA-UHFFFAOYSA-N 2 1 300.450 3.163 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000865716989 621982799 /nfs/dbraw/zinc/98/27/99/621982799.db2.gz KIJZABNLWDPZJP-UHFFFAOYSA-N 2 1 300.450 3.163 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804796 621998083 /nfs/dbraw/zinc/99/80/83/621998083.db2.gz HZGGYLJQQIQFLS-WMZOPIPTSA-N 2 1 306.494 3.475 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804796 621998085 /nfs/dbraw/zinc/99/80/85/621998085.db2.gz HZGGYLJQQIQFLS-WMZOPIPTSA-N 2 1 306.494 3.475 20 0 DGADMP c1cncc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)c1 ZINC000865833156 622003262 /nfs/dbraw/zinc/00/32/62/622003262.db2.gz BLXXDOZUDGUODX-AQNXPRMDSA-N 2 1 313.489 3.399 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876568 622014295 /nfs/dbraw/zinc/01/42/95/622014295.db2.gz KWVIRMBQUAJGLK-QXAKKESOSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876568 622014297 /nfs/dbraw/zinc/01/42/97/622014297.db2.gz KWVIRMBQUAJGLK-QXAKKESOSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCO1 ZINC000762652246 622089544 /nfs/dbraw/zinc/08/95/44/622089544.db2.gz XPTSQEHONRWCPL-FCGDIQPGSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCO1 ZINC000762652246 622089546 /nfs/dbraw/zinc/08/95/46/622089546.db2.gz XPTSQEHONRWCPL-FCGDIQPGSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000866390792 622109369 /nfs/dbraw/zinc/10/93/69/622109369.db2.gz SUYAWSGODJNSDG-WMZOPIPTSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000866390792 622109370 /nfs/dbraw/zinc/10/93/70/622109370.db2.gz SUYAWSGODJNSDG-WMZOPIPTSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866560299 622137547 /nfs/dbraw/zinc/13/75/47/622137547.db2.gz MUQUUCVVOMSKDB-IBGZPJMESA-N 2 1 307.526 3.246 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562231 622138326 /nfs/dbraw/zinc/13/83/26/622138326.db2.gz QFWLYYMGERNXCJ-SJLPKXTDSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866562231 622138328 /nfs/dbraw/zinc/13/83/28/622138328.db2.gz QFWLYYMGERNXCJ-SJLPKXTDSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC[N@@H+]1C ZINC000866607830 622145836 /nfs/dbraw/zinc/14/58/36/622145836.db2.gz HHWMPYBSBRNTLK-AYOQOUSVSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC[N@H+]1C ZINC000866607830 622145840 /nfs/dbraw/zinc/14/58/40/622145840.db2.gz HHWMPYBSBRNTLK-AYOQOUSVSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1c(Cl)cncc1Cl)CC[NH2+]CC2 ZINC000866667324 622154738 /nfs/dbraw/zinc/15/47/38/622154738.db2.gz IYIJQWCKRRJBSG-NSHDSACASA-N 2 1 314.260 3.352 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765073681 622244143 /nfs/dbraw/zinc/24/41/43/622244143.db2.gz LOLMFKKWGCURLJ-RDJZCZTQSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000765140929 622248876 /nfs/dbraw/zinc/24/88/76/622248876.db2.gz HURNKIKFGBRBNP-HNNXBMFYSA-N 2 1 323.444 3.427 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925494277 622277524 /nfs/dbraw/zinc/27/75/24/622277524.db2.gz KCVZFFDCUPKHJL-NEWSRXKRSA-N 2 1 313.489 3.086 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](NCc2c(C)cccc2F)[C@H](C)C1 ZINC000766217347 622312995 /nfs/dbraw/zinc/31/29/95/622312995.db2.gz YOUMEVMDMVXAIA-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2F)[C@H](C)C1 ZINC000766217347 622312999 /nfs/dbraw/zinc/31/29/99/622312999.db2.gz YOUMEVMDMVXAIA-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2F)[C@H](C)C1 ZINC000766217347 622313001 /nfs/dbraw/zinc/31/30/01/622313001.db2.gz YOUMEVMDMVXAIA-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514828 622536497 /nfs/dbraw/zinc/53/64/97/622536497.db2.gz LSGKKSXLPKANLQ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514828 622536499 /nfs/dbraw/zinc/53/64/99/622536499.db2.gz LSGKKSXLPKANLQ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769514828 622536503 /nfs/dbraw/zinc/53/65/03/622536503.db2.gz LSGKKSXLPKANLQ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769514828 622536504 /nfs/dbraw/zinc/53/65/04/622536504.db2.gz LSGKKSXLPKANLQ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOCc2ccccc2)cc1 ZINC000770305901 622619772 /nfs/dbraw/zinc/61/97/72/622619772.db2.gz NAANWXIHPXDPDP-UHFFFAOYSA-N 2 1 312.457 3.397 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nc(C)[nH+]1 ZINC000871666900 622661258 /nfs/dbraw/zinc/66/12/58/622661258.db2.gz VEVUEQYEGRHKRF-RDJZCZTQSA-N 2 1 302.466 3.217 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCCC2 ZINC000872018325 622754243 /nfs/dbraw/zinc/75/42/43/622754243.db2.gz KNRSAVVOCVPAET-KRWDZBQOSA-N 2 1 318.461 3.155 20 0 DGADMP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000872035174 622766096 /nfs/dbraw/zinc/76/60/96/622766096.db2.gz NKTIYTWIXALUAD-HIFRSBDPSA-N 2 1 322.415 3.341 20 0 DGADMP CC[C@H](CCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000872066805 622786434 /nfs/dbraw/zinc/78/64/34/622786434.db2.gz QTDMBSAUDYBPIO-ZIAGYGMSSA-N 2 1 310.404 3.198 20 0 DGADMP CC[C@H](CCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000872066805 622786440 /nfs/dbraw/zinc/78/64/40/622786440.db2.gz QTDMBSAUDYBPIO-ZIAGYGMSSA-N 2 1 310.404 3.198 20 0 DGADMP [NH3+][C@@H]1CN(Cc2cccc3ncccc23)C[C@H]1c1ccccc1 ZINC000872142650 622831612 /nfs/dbraw/zinc/83/16/12/622831612.db2.gz CAJCZTQLGRQIGQ-RBUKOAKNSA-N 2 1 303.409 3.162 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000872146892 622832573 /nfs/dbraw/zinc/83/25/73/622832573.db2.gz ZYCRLQHJBHAJFV-KRWDZBQOSA-N 2 1 318.509 3.492 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146892 622832583 /nfs/dbraw/zinc/83/25/83/622832583.db2.gz ZYCRLQHJBHAJFV-KRWDZBQOSA-N 2 1 318.509 3.492 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146892 622832589 /nfs/dbraw/zinc/83/25/89/622832589.db2.gz ZYCRLQHJBHAJFV-KRWDZBQOSA-N 2 1 318.509 3.492 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000872150353 622832808 /nfs/dbraw/zinc/83/28/08/622832808.db2.gz QFYSIIFOOKMDGE-JSGCOSHPSA-N 2 1 320.786 3.342 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148481 622833030 /nfs/dbraw/zinc/83/30/30/622833030.db2.gz JIKBCUOJAGTRJI-IACUBPJLSA-N 2 1 304.331 3.346 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148481 622833037 /nfs/dbraw/zinc/83/30/37/622833037.db2.gz JIKBCUOJAGTRJI-IACUBPJLSA-N 2 1 304.331 3.346 20 0 DGADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC000872153241 622835181 /nfs/dbraw/zinc/83/51/81/622835181.db2.gz DGDRUPWVEDIHPE-JKSUJKDBSA-N 2 1 312.379 3.179 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccccc1C(C)(C)C ZINC000872154914 622835243 /nfs/dbraw/zinc/83/52/43/622835243.db2.gz FCDTZOZESZPGQC-UHFFFAOYSA-N 2 1 319.493 3.374 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000872155665 622836961 /nfs/dbraw/zinc/83/69/61/622836961.db2.gz YBJJFZUJUQGBLW-LSDHHAIUSA-N 2 1 318.461 3.013 20 0 DGADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155901 622837193 /nfs/dbraw/zinc/83/71/93/622837193.db2.gz AHNBIOUTPIDFLF-VYDXJSESSA-N 2 1 302.466 3.157 20 0 DGADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155900 622837489 /nfs/dbraw/zinc/83/74/89/622837489.db2.gz AHNBIOUTPIDFLF-INMHGKMJSA-N 2 1 302.466 3.157 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)C1CCCC1 ZINC000872157306 622838830 /nfs/dbraw/zinc/83/88/30/622838830.db2.gz OJUGTKSJTWDGOX-UKRRQHHQSA-N 2 1 322.415 3.185 20 0 DGADMP CCc1cnc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872158265 622839758 /nfs/dbraw/zinc/83/97/58/622839758.db2.gz UMTAEADCWUBEJB-WMLDXEAASA-N 2 1 305.466 3.357 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158127 622840124 /nfs/dbraw/zinc/84/01/24/622840124.db2.gz TZAASWIGNYAFRZ-APWZRJJASA-N 2 1 318.509 3.065 20 0 DGADMP CCc1cnc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872158266 622840302 /nfs/dbraw/zinc/84/03/02/622840302.db2.gz UMTAEADCWUBEJB-YOEHRIQHSA-N 2 1 305.466 3.357 20 0 DGADMP COc1ccccc1-c1nc(C[N@@H+](C)CCCCCC[NH3+])co1 ZINC000872158741 622840946 /nfs/dbraw/zinc/84/09/46/622840946.db2.gz XLLOKHWOCJBIPL-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP COc1ccccc1C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200889 623073191 /nfs/dbraw/zinc/07/31/91/623073191.db2.gz MEWIBPLCZPCQEY-UHFFFAOYSA-N 2 1 302.443 3.034 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209424 623076382 /nfs/dbraw/zinc/07/63/82/623076382.db2.gz NMICWIGCWSPFRA-UHFFFAOYSA-N 2 1 304.434 3.473 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000873223603 623079711 /nfs/dbraw/zinc/07/97/11/623079711.db2.gz OUSHJAIZMIJBKE-IBGZPJMESA-N 2 1 300.446 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000873231418 623084015 /nfs/dbraw/zinc/08/40/15/623084015.db2.gz IGYZYMPACYAKES-UHFFFAOYSA-N 2 1 300.450 3.336 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232297 623084449 /nfs/dbraw/zinc/08/44/49/623084449.db2.gz DSBAIDOZROGDCF-SFHVURJKSA-N 2 1 324.472 3.479 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000873231894 623084566 /nfs/dbraw/zinc/08/45/66/623084566.db2.gz YAYCHMGGARFOJF-UHFFFAOYSA-N 2 1 304.413 3.167 20 0 DGADMP CCn1ccnc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231959 623085116 /nfs/dbraw/zinc/08/51/16/623085116.db2.gz HIEQPUDIAWWZKL-WBVHZDCISA-N 2 1 304.482 3.023 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1OC ZINC000873248253 623090204 /nfs/dbraw/zinc/09/02/04/623090204.db2.gz BXYTVTPLNJGAKP-DXBFTMOHSA-N 2 1 304.434 3.028 20 0 DGADMP Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000873280917 623102192 /nfs/dbraw/zinc/10/21/92/623102192.db2.gz FELINIUHFCCXBW-GMXVVIOVSA-N 2 1 316.342 3.034 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000774408994 623140742 /nfs/dbraw/zinc/14/07/42/623140742.db2.gz LAQWQTAKCGWHRJ-VAMGGRTRSA-N 2 1 316.489 3.399 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000774408994 623140744 /nfs/dbraw/zinc/14/07/44/623140744.db2.gz LAQWQTAKCGWHRJ-VAMGGRTRSA-N 2 1 316.489 3.399 20 0 DGADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000774992051 623214417 /nfs/dbraw/zinc/21/44/17/623214417.db2.gz KIVSHQGSJDKCNF-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCCO ZINC000775689382 623314896 /nfs/dbraw/zinc/31/48/96/623314896.db2.gz KUMYKIGXDAVXFI-ICSRJNTNSA-N 2 1 318.505 3.429 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCCO ZINC000775689382 623314901 /nfs/dbraw/zinc/31/49/01/623314901.db2.gz KUMYKIGXDAVXFI-ICSRJNTNSA-N 2 1 318.505 3.429 20 0 DGADMP Clc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000876901120 623740401 /nfs/dbraw/zinc/74/04/01/623740401.db2.gz ZSBGQRCJLCCMCG-UHFFFAOYSA-N 2 1 316.836 3.016 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000876915960 623743479 /nfs/dbraw/zinc/74/34/79/623743479.db2.gz GDAQWMQAUPQOSW-IRXDYDNUSA-N 2 1 315.461 3.413 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000876926899 623745798 /nfs/dbraw/zinc/74/57/98/623745798.db2.gz KBZULIRNECJIAH-AVYPCKFXSA-N 2 1 304.415 3.173 20 0 DGADMP Clc1nccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000876928744 623747015 /nfs/dbraw/zinc/74/70/15/623747015.db2.gz CKOSYCRZINWHLN-NSHDSACASA-N 2 1 305.809 3.055 20 0 DGADMP Clc1nccc2oc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc21 ZINC000876928744 623747019 /nfs/dbraw/zinc/74/70/19/623747019.db2.gz CKOSYCRZINWHLN-NSHDSACASA-N 2 1 305.809 3.055 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876930091 623747137 /nfs/dbraw/zinc/74/71/37/623747137.db2.gz SAWUICNISXUQDZ-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876932596 623747828 /nfs/dbraw/zinc/74/78/28/623747828.db2.gz PXTALXHKMKZSGJ-JXSLOMFPSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000876932596 623747833 /nfs/dbraw/zinc/74/78/33/623747833.db2.gz PXTALXHKMKZSGJ-JXSLOMFPSA-N 2 1 318.442 3.419 20 0 DGADMP Clc1nccc2oc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc21 ZINC000876947241 623752388 /nfs/dbraw/zinc/75/23/88/623752388.db2.gz ZZSJDTOYTUMMHX-UHFFFAOYSA-N 2 1 319.836 3.445 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](OC(C)C)c2ccccc2)C1 ZINC000876989440 623761114 /nfs/dbraw/zinc/76/11/14/623761114.db2.gz ZCQSNLDKPBEZFG-MJGOQNOKSA-N 2 1 304.478 3.474 20 0 DGADMP CCc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000779438891 623770713 /nfs/dbraw/zinc/77/07/13/623770713.db2.gz QGTATEMMYAXGTQ-FNLKRUPLSA-N 2 1 324.472 3.257 20 0 DGADMP CCc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]n1 ZINC000779438891 623770716 /nfs/dbraw/zinc/77/07/16/623770716.db2.gz QGTATEMMYAXGTQ-FNLKRUPLSA-N 2 1 324.472 3.257 20 0 DGADMP OCC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000877059959 623779415 /nfs/dbraw/zinc/77/94/15/623779415.db2.gz SJXDGBSSYJDIDD-IHPCNDPISA-N 2 1 314.473 3.105 20 0 DGADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000877059959 623779417 /nfs/dbraw/zinc/77/94/17/623779417.db2.gz SJXDGBSSYJDIDD-IHPCNDPISA-N 2 1 314.473 3.105 20 0 DGADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877142574 623804554 /nfs/dbraw/zinc/80/45/54/623804554.db2.gz SXDIPVSXWNYEEB-UYAOXDASSA-N 2 1 315.505 3.286 20 0 DGADMP CCCn1cc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)nn1 ZINC000877195510 623824454 /nfs/dbraw/zinc/82/44/54/623824454.db2.gz LCZMNWAEGAWGCK-UHFFFAOYSA-N 2 1 321.513 3.022 20 0 DGADMP C[C@]1(C[NH2+]C2CC(n3cccn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496824 623912015 /nfs/dbraw/zinc/91/20/15/623912015.db2.gz ZLFRRFSOCAHPGU-SOAGJPPSSA-N 2 1 324.472 3.088 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)[C@H](c2ccccc2)C1 ZINC000877606964 623960340 /nfs/dbraw/zinc/96/03/40/623960340.db2.gz RBPYNSOXULMJGX-ILXRZTDVSA-N 2 1 313.272 3.115 20 0 DGADMP COCC[N@@H+](C[C@H]1C[C@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000877664130 623983291 /nfs/dbraw/zinc/98/32/91/623983291.db2.gz IADQNPCRRBMTJE-UXHICEINSA-N 2 1 316.489 3.080 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741827 624015731 /nfs/dbraw/zinc/01/57/31/624015731.db2.gz NRYPAWCBBYFWIB-OOJKYFRXSA-N 2 1 304.400 3.381 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741827 624015737 /nfs/dbraw/zinc/01/57/37/624015737.db2.gz NRYPAWCBBYFWIB-OOJKYFRXSA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741827 624015740 /nfs/dbraw/zinc/01/57/40/624015740.db2.gz NRYPAWCBBYFWIB-OOJKYFRXSA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741827 624015743 /nfs/dbraw/zinc/01/57/43/624015743.db2.gz NRYPAWCBBYFWIB-OOJKYFRXSA-N 2 1 304.400 3.381 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743020 624016143 /nfs/dbraw/zinc/01/61/43/624016143.db2.gz HXKZNTFXBQAGPI-PMACEKPBSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743020 624016147 /nfs/dbraw/zinc/01/61/47/624016147.db2.gz HXKZNTFXBQAGPI-PMACEKPBSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743020 624016150 /nfs/dbraw/zinc/01/61/50/624016150.db2.gz HXKZNTFXBQAGPI-PMACEKPBSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000877743020 624016155 /nfs/dbraw/zinc/01/61/55/624016155.db2.gz HXKZNTFXBQAGPI-PMACEKPBSA-N 2 1 307.441 3.275 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417134 624068958 /nfs/dbraw/zinc/06/89/58/624068958.db2.gz SQBKVCWSRFANQU-HIFRSBDPSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417134 624068961 /nfs/dbraw/zinc/06/89/61/624068961.db2.gz SQBKVCWSRFANQU-HIFRSBDPSA-N 2 1 307.869 3.478 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@]34CCCO4)CC2)cc1 ZINC000877870781 624075974 /nfs/dbraw/zinc/07/59/74/624075974.db2.gz FPDVJQCSBBCWHM-PMACEKPBSA-N 2 1 314.473 3.342 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)CC1 ZINC000878018033 624137007 /nfs/dbraw/zinc/13/70/07/624137007.db2.gz QMODZONRNWTEOG-MUGJNUQGSA-N 2 1 320.521 3.388 20 0 DGADMP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1C ZINC000878034406 624143736 /nfs/dbraw/zinc/14/37/36/624143736.db2.gz NORZPDGYWZEYEQ-UHFFFAOYSA-N 2 1 318.461 3.086 20 0 DGADMP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1C ZINC000878034406 624143738 /nfs/dbraw/zinc/14/37/38/624143738.db2.gz NORZPDGYWZEYEQ-UHFFFAOYSA-N 2 1 318.461 3.086 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCSC(C)(C)C ZINC000878288041 624237192 /nfs/dbraw/zinc/23/71/92/624237192.db2.gz MRNIFQKZFWKQGJ-OWCLPIDISA-N 2 1 314.539 3.092 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000878422222 624274204 /nfs/dbraw/zinc/27/42/04/624274204.db2.gz HXJJLIRJRCFGMW-BWPNAZKDSA-N 2 1 318.505 3.140 20 0 DGADMP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000783213200 624324598 /nfs/dbraw/zinc/32/45/98/624324598.db2.gz UWZGOSCDVGMRIC-YIOZNXECSA-N 2 1 302.462 3.184 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878646340 624329342 /nfs/dbraw/zinc/32/93/42/624329342.db2.gz ZPVSVBFKMOICEM-ZCNNSNEGSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652232 624331967 /nfs/dbraw/zinc/33/19/67/624331967.db2.gz NHOXIVJFLTWRPY-ZCNNSNEGSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652232 624331968 /nfs/dbraw/zinc/33/19/68/624331968.db2.gz NHOXIVJFLTWRPY-ZCNNSNEGSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652232 624331969 /nfs/dbraw/zinc/33/19/69/624331969.db2.gz NHOXIVJFLTWRPY-ZCNNSNEGSA-N 2 1 314.473 3.324 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000783307532 624336711 /nfs/dbraw/zinc/33/67/11/624336711.db2.gz LGRPADNKAGYWSV-LJQANCHMSA-N 2 1 318.436 3.115 20 0 DGADMP CCCCc1noc([C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879248606 624463553 /nfs/dbraw/zinc/46/35/53/624463553.db2.gz QTMUAVHJNVBKQV-HNNXBMFYSA-N 2 1 320.481 3.281 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784375435 624514125 /nfs/dbraw/zinc/51/41/25/624514125.db2.gz SHYBAJVDKQMOHQ-IBGZPJMESA-N 2 1 312.461 3.101 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784375435 624514133 /nfs/dbraw/zinc/51/41/33/624514133.db2.gz SHYBAJVDKQMOHQ-IBGZPJMESA-N 2 1 312.461 3.101 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784375436 624514744 /nfs/dbraw/zinc/51/47/44/624514744.db2.gz SHYBAJVDKQMOHQ-LJQANCHMSA-N 2 1 312.461 3.101 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784375436 624514751 /nfs/dbraw/zinc/51/47/51/624514751.db2.gz SHYBAJVDKQMOHQ-LJQANCHMSA-N 2 1 312.461 3.101 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569984 624593928 /nfs/dbraw/zinc/59/39/28/624593928.db2.gz CZFWSADHWVGSEP-HKUYNNGSSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569984 624593931 /nfs/dbraw/zinc/59/39/31/624593931.db2.gz CZFWSADHWVGSEP-HKUYNNGSSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569984 624593937 /nfs/dbraw/zinc/59/39/37/624593937.db2.gz CZFWSADHWVGSEP-HKUYNNGSSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569984 624593940 /nfs/dbraw/zinc/59/39/40/624593940.db2.gz CZFWSADHWVGSEP-HKUYNNGSSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569984 624593943 /nfs/dbraw/zinc/59/39/43/624593943.db2.gz CZFWSADHWVGSEP-HKUYNNGSSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579196 624597433 /nfs/dbraw/zinc/59/74/33/624597433.db2.gz JQTXTRKUCKEPEI-WCIQWLHISA-N 2 1 314.473 3.323 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579196 624597440 /nfs/dbraw/zinc/59/74/40/624597440.db2.gz JQTXTRKUCKEPEI-WCIQWLHISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579196 624597445 /nfs/dbraw/zinc/59/74/45/624597445.db2.gz JQTXTRKUCKEPEI-WCIQWLHISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579196 624597451 /nfs/dbraw/zinc/59/74/51/624597451.db2.gz JQTXTRKUCKEPEI-WCIQWLHISA-N 2 1 314.473 3.323 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000879918420 624722994 /nfs/dbraw/zinc/72/29/94/624722994.db2.gz DBTBRJDGMQOFEK-HOTGVXAUSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000879918420 624722998 /nfs/dbraw/zinc/72/29/98/624722998.db2.gz DBTBRJDGMQOFEK-HOTGVXAUSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)[nH]n1 ZINC000879918420 624723000 /nfs/dbraw/zinc/72/30/00/624723000.db2.gz DBTBRJDGMQOFEK-HOTGVXAUSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918420 624723006 /nfs/dbraw/zinc/72/30/06/624723006.db2.gz DBTBRJDGMQOFEK-HOTGVXAUSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918420 624723011 /nfs/dbraw/zinc/72/30/11/624723011.db2.gz DBTBRJDGMQOFEK-HOTGVXAUSA-N 2 1 304.482 3.197 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000879951330 624730516 /nfs/dbraw/zinc/73/05/16/624730516.db2.gz KZIGCMQTWHSBPR-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880060149 624770542 /nfs/dbraw/zinc/77/05/42/624770542.db2.gz ORQSVIOISWIECH-OCCSQVGLSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880060149 624770545 /nfs/dbraw/zinc/77/05/45/624770545.db2.gz ORQSVIOISWIECH-OCCSQVGLSA-N 2 1 319.371 3.013 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000880470748 624964003 /nfs/dbraw/zinc/96/40/03/624964003.db2.gz MELFUIKVYGWBCE-UHFFFAOYSA-N 2 1 306.425 3.155 20 0 DGADMP COc1cccc(SCC[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000880474351 624964426 /nfs/dbraw/zinc/96/44/26/624964426.db2.gz GUFCBIFUJFTVJG-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP C[NH+]1CCC(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000788473933 625190978 /nfs/dbraw/zinc/19/09/78/625190978.db2.gz NCKGZQCOOBWAHS-INIZCTEOSA-N 2 1 308.491 3.071 20 0 DGADMP CC(C)(C[NH2+][C@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCC1 ZINC000788779985 625264239 /nfs/dbraw/zinc/26/42/39/625264239.db2.gz ABTLFFPCQWVAMV-AWEZNQCLSA-N 2 1 307.869 3.434 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]CCCn2cc[nH+]c2C)c1C ZINC000882905180 625853353 /nfs/dbraw/zinc/85/33/53/625853353.db2.gz VTEHDJRQIGSILH-UHFFFAOYSA-N 2 1 315.461 3.443 20 0 DGADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000882950101 625871677 /nfs/dbraw/zinc/87/16/77/625871677.db2.gz VUIDFYURQOAXHF-UHFFFAOYSA-N 2 1 315.461 3.095 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000883018032 625899098 /nfs/dbraw/zinc/89/90/98/625899098.db2.gz LKKJUTUISLDJIH-RDJZCZTQSA-N 2 1 304.478 3.331 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000883184759 625959075 /nfs/dbraw/zinc/95/90/75/625959075.db2.gz DUDQJSHZAXOPDX-UHFFFAOYSA-N 2 1 306.822 3.016 20 0 DGADMP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000796921817 626096254 /nfs/dbraw/zinc/09/62/54/626096254.db2.gz DFBVBAKQRAERKP-KBAYOESNSA-N 2 1 305.441 3.172 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000798182813 626200468 /nfs/dbraw/zinc/20/04/68/626200468.db2.gz KDXJANYWXYIXQJ-INIZCTEOSA-N 2 1 319.836 3.486 20 0 DGADMP Clc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000799145037 626275508 /nfs/dbraw/zinc/27/55/08/626275508.db2.gz UCFPFXDEFAHRSR-UHFFFAOYSA-N 2 1 322.884 3.218 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883262204 626627967 /nfs/dbraw/zinc/62/79/67/626627967.db2.gz ZZASOCIYIYNJNV-FHWLQOOXSA-N 2 1 314.473 3.198 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883262204 626627971 /nfs/dbraw/zinc/62/79/71/626627971.db2.gz ZZASOCIYIYNJNV-FHWLQOOXSA-N 2 1 314.473 3.198 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000883271197 626630894 /nfs/dbraw/zinc/63/08/94/626630894.db2.gz HVHJOUWQKJETBR-URWLHXRESA-N 2 1 314.473 3.197 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000883410797 626677039 /nfs/dbraw/zinc/67/70/39/626677039.db2.gz JJOAOEHTDFWDFE-GOSISDBHSA-N 2 1 324.472 3.256 20 0 DGADMP c1ccc([C@H]2CC[C@@H](C[N@@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416329 626677614 /nfs/dbraw/zinc/67/76/14/626677614.db2.gz RXZWGAPXJVMKSJ-RBUKOAKNSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2CC[C@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417677 626678257 /nfs/dbraw/zinc/67/82/57/626678257.db2.gz JCNCPBUKKORCQT-WOJBJXKFSA-N 2 1 314.473 3.371 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417865 626678320 /nfs/dbraw/zinc/67/83/20/626678320.db2.gz PPXORLVIELSYAY-WZOJCFFYSA-N 2 1 302.462 3.499 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883432941 626681574 /nfs/dbraw/zinc/68/15/74/626681574.db2.gz DVMHSYHIWPBFNB-XWCCPHMRSA-N 2 1 302.462 3.212 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)[C@H]1CC[NH3+] ZINC000883435135 626681593 /nfs/dbraw/zinc/68/15/93/626681593.db2.gz LGHAHOGBDZTGNU-XGXHKWSGSA-N 2 1 302.462 3.356 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000883447875 626683984 /nfs/dbraw/zinc/68/39/84/626683984.db2.gz NYDCWOSJOGDGCP-AEFFLSMTSA-N 2 1 324.472 3.256 20 0 DGADMP c1ccc([C@H]2CC[C@@H](C[N@@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459860 626686598 /nfs/dbraw/zinc/68/65/98/626686598.db2.gz JAXKJOLTTIBJPD-ZWKOTPCHSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@H]2CC[C@@H](C[N@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459860 626686602 /nfs/dbraw/zinc/68/66/02/626686602.db2.gz JAXKJOLTTIBJPD-ZWKOTPCHSA-N 2 1 300.446 3.125 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806140253 626701822 /nfs/dbraw/zinc/70/18/22/626701822.db2.gz ICLICOVHJWGSKM-CQSZACIVSA-N 2 1 304.825 3.297 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)c2cc1C ZINC000840088238 626752651 /nfs/dbraw/zinc/75/26/51/626752651.db2.gz YJMSYNUCPMHEQC-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)c2cc1C ZINC000840088238 626752655 /nfs/dbraw/zinc/75/26/55/626752655.db2.gz YJMSYNUCPMHEQC-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000840088238 626752658 /nfs/dbraw/zinc/75/26/58/626752658.db2.gz YJMSYNUCPMHEQC-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000840088238 626752662 /nfs/dbraw/zinc/75/26/62/626752662.db2.gz YJMSYNUCPMHEQC-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP CC[NH+](CC)[C@H](C(=O)OCCC[NH+]1CCCC1)c1ccccc1 ZINC000800166570 626817180 /nfs/dbraw/zinc/81/71/80/626817180.db2.gz OVYIHTAVIYDAAG-SFHVURJKSA-N 2 1 318.461 3.099 20 0 DGADMP CCOc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000809739101 626943984 /nfs/dbraw/zinc/94/39/84/626943984.db2.gz XKMMLHGVYMBBTE-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000885916116 627059433 /nfs/dbraw/zinc/05/94/33/627059433.db2.gz OMSLNYAIZWRKES-PMACEKPBSA-N 2 1 316.489 3.372 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000885916116 627059436 /nfs/dbraw/zinc/05/94/36/627059436.db2.gz OMSLNYAIZWRKES-PMACEKPBSA-N 2 1 316.489 3.372 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885938033 627064830 /nfs/dbraw/zinc/06/48/30/627064830.db2.gz PPAGMYHXOGODPY-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885938033 627064833 /nfs/dbraw/zinc/06/48/33/627064833.db2.gz PPAGMYHXOGODPY-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885954439 627068186 /nfs/dbraw/zinc/06/81/86/627068186.db2.gz YCOPNGVBAUKMCK-CQSZACIVSA-N 2 1 312.404 3.150 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885954439 627068188 /nfs/dbraw/zinc/06/81/88/627068188.db2.gz YCOPNGVBAUKMCK-CQSZACIVSA-N 2 1 312.404 3.150 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000886008427 627082498 /nfs/dbraw/zinc/08/24/98/627082498.db2.gz MDBXSNLXIHAFFP-XQRVVYSFSA-N 2 1 320.452 3.318 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)COCc2ccccc2)CC1 ZINC000886030007 627088700 /nfs/dbraw/zinc/08/87/00/627088700.db2.gz FDQRDNXKPLQUBS-KRWDZBQOSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)COCc2ccccc2)CC1 ZINC000886030007 627088702 /nfs/dbraw/zinc/08/87/02/627088702.db2.gz FDQRDNXKPLQUBS-KRWDZBQOSA-N 2 1 304.478 3.255 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1)CC1CC1 ZINC000886102930 627105558 /nfs/dbraw/zinc/10/55/58/627105558.db2.gz UUIDWWGPEINNHR-WOJBJXKFSA-N 2 1 320.521 3.247 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127699 627109187 /nfs/dbraw/zinc/10/91/87/627109187.db2.gz QIUMRDXXVBRBBH-FXECBMLZSA-N 2 1 306.494 3.187 20 0 DGADMP C[NH+](C)C1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCCC1 ZINC000886493699 627152772 /nfs/dbraw/zinc/15/27/72/627152772.db2.gz XSJRFURPCGBOBY-UHFFFAOYSA-N 3 1 307.526 3.248 20 0 DGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000886523264 627156780 /nfs/dbraw/zinc/15/67/80/627156780.db2.gz ZOCSKPZVILTOGX-ICSRJNTNSA-N 2 1 321.468 3.223 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000886523264 627156781 /nfs/dbraw/zinc/15/67/81/627156781.db2.gz ZOCSKPZVILTOGX-ICSRJNTNSA-N 2 1 321.468 3.223 20 0 DGADMP C[N@H+](CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CCCC1 ZINC000886524120 627156957 /nfs/dbraw/zinc/15/69/57/627156957.db2.gz DAKLKNVOGVUBML-UHFFFAOYSA-N 3 1 307.526 3.248 20 0 DGADMP C[N@@H+](CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CCCC1 ZINC000886524120 627156958 /nfs/dbraw/zinc/15/69/58/627156958.db2.gz DAKLKNVOGVUBML-UHFFFAOYSA-N 3 1 307.526 3.248 20 0 DGADMP CCc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[nH]n1 ZINC000886526747 627157482 /nfs/dbraw/zinc/15/74/82/627157482.db2.gz RRJRIBQFFJQDRT-QRFRQXIXSA-N 2 1 324.472 3.115 20 0 DGADMP CCc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[nH]n1 ZINC000886526747 627157486 /nfs/dbraw/zinc/15/74/86/627157486.db2.gz RRJRIBQFFJQDRT-QRFRQXIXSA-N 2 1 324.472 3.115 20 0 DGADMP C[N@@H+](CCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886623923 627175587 /nfs/dbraw/zinc/17/55/87/627175587.db2.gz STBQXSQPXAFUDJ-UHFFFAOYSA-N 3 1 307.526 3.248 20 0 DGADMP CO[C@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648361 627180032 /nfs/dbraw/zinc/18/00/32/627180032.db2.gz RAJRAVHLFLFYRL-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648361 627180034 /nfs/dbraw/zinc/18/00/34/627180034.db2.gz RAJRAVHLFLFYRL-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648361 627180037 /nfs/dbraw/zinc/18/00/37/627180037.db2.gz RAJRAVHLFLFYRL-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664695 627183347 /nfs/dbraw/zinc/18/33/47/627183347.db2.gz VBRLQEBMYRKBST-UHFFFAOYSA-N 2 1 302.422 3.053 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CCOCc2ccccc2)CC1 ZINC000886719700 627197552 /nfs/dbraw/zinc/19/75/52/627197552.db2.gz DWSXXAUFSJLBMI-UHFFFAOYSA-N 2 1 302.462 3.154 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886727366 627197716 /nfs/dbraw/zinc/19/77/16/627197716.db2.gz XZNVJWXWJDGJLX-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886869630 627211820 /nfs/dbraw/zinc/21/18/20/627211820.db2.gz DSIVFXNINXRPQM-KRWDZBQOSA-N 2 1 310.388 3.254 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000887134231 627227721 /nfs/dbraw/zinc/22/77/21/627227721.db2.gz FTJIVVNAZTUPRQ-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000887135171 627228431 /nfs/dbraw/zinc/22/84/31/627228431.db2.gz XQEYNBCPADMTJQ-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000815052497 627619553 /nfs/dbraw/zinc/61/95/53/627619553.db2.gz QKSHBDCEMGLNPW-UTKZUKDTSA-N 2 1 324.468 3.291 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3cccc4ccccc43)CC[C@H]21 ZINC000815061671 627621598 /nfs/dbraw/zinc/62/15/98/627621598.db2.gz CZALPDRWGRWTOA-WMQCIHAUSA-N 2 1 324.468 3.289 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3cccc4ccccc43)CC[C@H]21 ZINC000815061671 627621603 /nfs/dbraw/zinc/62/16/03/627621603.db2.gz CZALPDRWGRWTOA-WMQCIHAUSA-N 2 1 324.468 3.289 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3cccc4ccccc43)CC[C@H]21 ZINC000815061671 627621606 /nfs/dbraw/zinc/62/16/06/627621606.db2.gz CZALPDRWGRWTOA-WMQCIHAUSA-N 2 1 324.468 3.289 20 0 DGADMP C[C@@H](NCCC[NH+]1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924577161 627651133 /nfs/dbraw/zinc/65/11/33/627651133.db2.gz CUNWYHXEGYPIMY-QGZVFWFLSA-N 2 1 303.494 3.275 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)Cc1ccccc1 ZINC000924580543 627651939 /nfs/dbraw/zinc/65/19/39/627651939.db2.gz VHVPUEGYAWLDEI-VQTJNVASSA-N 2 1 316.489 3.303 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000924660514 627663959 /nfs/dbraw/zinc/66/39/59/627663959.db2.gz OFRLOADBDRXZAF-HXUWFJFHSA-N 2 1 321.553 3.353 20 0 DGADMP C[C@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924711014 627671283 /nfs/dbraw/zinc/67/12/83/627671283.db2.gz DWAHTXTWIOCBFU-INIZCTEOSA-N 2 1 315.505 3.273 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924718216 627672944 /nfs/dbraw/zinc/67/29/44/627672944.db2.gz PXQYZMQPOQEHML-LEWJYISDSA-N 2 1 323.484 3.165 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924753984 627676570 /nfs/dbraw/zinc/67/65/70/627676570.db2.gz RMRHPRKTPKPWBJ-MDCZIUGASA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924753984 627676574 /nfs/dbraw/zinc/67/65/74/627676574.db2.gz RMRHPRKTPKPWBJ-MDCZIUGASA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000924912870 627692626 /nfs/dbraw/zinc/69/26/26/627692626.db2.gz DVBKAVQNMDVSEO-HNNXBMFYSA-N 2 1 312.461 3.132 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924950224 627696644 /nfs/dbraw/zinc/69/66/44/627696644.db2.gz IMYTXSHIZFGFDM-GJZGRUSLSA-N 2 1 315.461 3.406 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925134847 627711480 /nfs/dbraw/zinc/71/14/80/627711480.db2.gz TYLWZEMQGAQJLW-OAHLLOKOSA-N 2 1 304.825 3.297 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC[N@@H+]1C ZINC000925140526 627712384 /nfs/dbraw/zinc/71/23/84/627712384.db2.gz JWEDKOIFVCVKIB-UIFIKXQLSA-N 2 1 323.484 3.308 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC[N@H+]1C ZINC000925140526 627712386 /nfs/dbraw/zinc/71/23/86/627712386.db2.gz JWEDKOIFVCVKIB-UIFIKXQLSA-N 2 1 323.484 3.308 20 0 DGADMP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccnnc1 ZINC000925281618 627727776 /nfs/dbraw/zinc/72/77/76/627727776.db2.gz ZDJUBPVKAWLENX-ZACQAIPSSA-N 2 1 324.472 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490687 627741955 /nfs/dbraw/zinc/74/19/55/627741955.db2.gz CGCUOZINKJOFIK-YSHGAJCASA-N 2 1 315.505 3.318 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490687 627741959 /nfs/dbraw/zinc/74/19/59/627741959.db2.gz CGCUOZINKJOFIK-YSHGAJCASA-N 2 1 315.505 3.318 20 0 DGADMP CC1CC[NH+](CCCN[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925511165 627745120 /nfs/dbraw/zinc/74/51/20/627745120.db2.gz HTTUVHLBRNIFQK-LJQANCHMSA-N 2 1 303.494 3.178 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C12CCC2 ZINC000925546730 627751883 /nfs/dbraw/zinc/75/18/83/627751883.db2.gz MOIPUPDCYYNMLW-SJORKVTESA-N 2 1 309.413 3.233 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925618463 627763757 /nfs/dbraw/zinc/76/37/57/627763757.db2.gz WEHMWBACUIUJGH-OWCLPIDISA-N 2 1 307.482 3.158 20 0 DGADMP COc1cccc2[nH]cc(CC[NH2+][C@@H](c3ccccc3)[C@H](C)[NH3+])c21 ZINC000925629507 627765777 /nfs/dbraw/zinc/76/57/77/627765777.db2.gz NOCNDTVJRHVLIM-VBKZILBWSA-N 2 1 323.440 3.397 20 0 DGADMP COc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647084 627769682 /nfs/dbraw/zinc/76/96/82/627769682.db2.gz XRSSYRHUHWESOQ-IRXDYDNUSA-N 2 1 306.425 3.092 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)C12CCC2 ZINC000925670140 627773792 /nfs/dbraw/zinc/77/37/92/627773792.db2.gz ITDAJROTJXACIG-MOPGFXCFSA-N 2 1 323.440 3.020 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c2ccccc2O1 ZINC000925680736 627775944 /nfs/dbraw/zinc/77/59/44/627775944.db2.gz SWCWPAFHSJOSRC-FIFHEGHSSA-N 2 1 300.446 3.265 20 0 DGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925686841 627776846 /nfs/dbraw/zinc/77/68/46/627776846.db2.gz XAIKKXZDYJPZGH-HYVNUMGLSA-N 2 1 301.478 3.245 20 0 DGADMP Cc1cc2c(CC[NH2+][C@H]3CC[NH2+]C34CCC4)c[nH]c2cc1F ZINC000925722580 627781908 /nfs/dbraw/zinc/78/19/08/627781908.db2.gz MEMLWHFDKLEPGE-KRWDZBQOSA-N 2 1 301.409 3.032 20 0 DGADMP CCC1([NH3+])CCN([C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759786 627789772 /nfs/dbraw/zinc/78/97/72/627789772.db2.gz LRRFRARYZZAMNB-MJGOQNOKSA-N 2 1 315.505 3.100 20 0 DGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777706 627793773 /nfs/dbraw/zinc/79/37/73/627793773.db2.gz GHJFOENSZUGSJF-MFKMUULPSA-N 2 1 316.392 3.197 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000925780616 627794371 /nfs/dbraw/zinc/79/43/71/627794371.db2.gz GAEAUWQSECRLTG-RISCZKNCSA-N 2 1 300.780 3.162 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000925780619 627794685 /nfs/dbraw/zinc/79/46/85/627794685.db2.gz GAEAUWQSECRLTG-SMDDNHRTSA-N 2 1 300.780 3.162 20 0 DGADMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796268 627797310 /nfs/dbraw/zinc/79/73/10/627797310.db2.gz LQRNGKILGUSILU-ZACQAIPSSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000925799522 627797317 /nfs/dbraw/zinc/79/73/17/627797317.db2.gz VOUMXIYGACJCRA-AEFFLSMTSA-N 2 1 316.489 3.101 20 0 DGADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n1)CCCC2 ZINC000925807488 627798579 /nfs/dbraw/zinc/79/85/79/627798579.db2.gz VIHJIEQPCLYXIE-GUDVDZBRSA-N 2 1 313.489 3.361 20 0 DGADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CC2 ZINC000925839050 627803372 /nfs/dbraw/zinc/80/33/72/627803372.db2.gz QDVQMMWIXHWFNS-PBFPGSCMSA-N 2 1 310.363 3.213 20 0 DGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(Cc2ccccc2)c1 ZINC000925842986 627803903 /nfs/dbraw/zinc/80/39/03/627803903.db2.gz LTAGLXKBWYVPFE-NSISKUIASA-N 2 1 324.472 3.114 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cc1C ZINC000925849528 627805956 /nfs/dbraw/zinc/80/59/56/627805956.db2.gz PGMXMLILPXOXMR-GOSISDBHSA-N 2 1 303.494 3.030 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c(C)s1 ZINC000925848150 627806040 /nfs/dbraw/zinc/80/60/40/627806040.db2.gz AXZKKKQLJHVWOB-HNNXBMFYSA-N 2 1 309.523 3.091 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000925877765 627810504 /nfs/dbraw/zinc/81/05/04/627810504.db2.gz XATWCBQMNCZCJA-DLBZAZTESA-N 2 1 312.413 3.247 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119736 627847543 /nfs/dbraw/zinc/84/75/43/627847543.db2.gz PZNDQGJWPXLRSC-LTFXXXRZSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326189 627879803 /nfs/dbraw/zinc/87/98/03/627879803.db2.gz PLQJXYWJFFIBTR-PKOBYXMFSA-N 2 1 309.457 3.124 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000817407042 627893845 /nfs/dbraw/zinc/89/38/45/627893845.db2.gz BTINQRLKOQSECD-SFHVURJKSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457439 627898874 /nfs/dbraw/zinc/89/88/74/627898874.db2.gz PRFZSLLSIJQMIJ-MJGOQNOKSA-N 2 1 324.472 3.430 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457439 627898878 /nfs/dbraw/zinc/89/88/78/627898878.db2.gz PRFZSLLSIJQMIJ-MJGOQNOKSA-N 2 1 324.472 3.430 20 0 DGADMP C[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469863 627900219 /nfs/dbraw/zinc/90/02/19/627900219.db2.gz HGHAFXGHDLJHGN-IMFGXOCKSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469863 627900221 /nfs/dbraw/zinc/90/02/21/627900221.db2.gz HGHAFXGHDLJHGN-IMFGXOCKSA-N 2 1 315.505 3.142 20 0 DGADMP CCc1nc(C)c(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)o1 ZINC000926479940 627901991 /nfs/dbraw/zinc/90/19/91/627901991.db2.gz JZMUUSZNHUTRHN-CYBMUJFWSA-N 2 1 301.434 3.458 20 0 DGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926636470 627924993 /nfs/dbraw/zinc/92/49/93/627924993.db2.gz VXIRZKZQLKLJNR-VHSSKADRSA-N 2 1 313.445 3.287 20 0 DGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926636470 627924997 /nfs/dbraw/zinc/92/49/97/627924997.db2.gz VXIRZKZQLKLJNR-VHSSKADRSA-N 2 1 313.445 3.287 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000817891082 627953690 /nfs/dbraw/zinc/95/36/90/627953690.db2.gz FORIMCSSRMQRLV-UYHISHBKSA-N 2 1 321.424 3.001 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817891854 627953753 /nfs/dbraw/zinc/95/37/53/627953753.db2.gz OKCUYXDYNMSRCM-YGRLFVJLSA-N 2 1 315.230 3.066 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897872 627955479 /nfs/dbraw/zinc/95/54/79/627955479.db2.gz XHECWVQBMNHCSS-ZIFCJYIRSA-N 2 1 301.478 3.084 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCOc2ccccc2F)c2ccccc21 ZINC000817898326 627956156 /nfs/dbraw/zinc/95/61/56/627956156.db2.gz GEECVSIDCMJWTG-SJORKVTESA-N 2 1 300.377 3.329 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccccc1 ZINC000817898596 627956350 /nfs/dbraw/zinc/95/63/50/627956350.db2.gz JRIKLYBWUWBCIE-KTFSGNIMSA-N 2 1 310.445 3.114 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805247 627958072 /nfs/dbraw/zinc/95/80/72/627958072.db2.gz PCRAESCIHQKJLS-LPHOPBHVSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805247 627958075 /nfs/dbraw/zinc/95/80/75/627958075.db2.gz PCRAESCIHQKJLS-LPHOPBHVSA-N 2 1 301.478 3.399 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000817916667 627960717 /nfs/dbraw/zinc/96/07/17/627960717.db2.gz JJPKJXXEPDIEHA-ZACQAIPSSA-N 2 1 320.795 3.247 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817931936 627964775 /nfs/dbraw/zinc/96/47/75/627964775.db2.gz PHTPLYKLHGHULH-RBUKOAKNSA-N 2 1 324.424 3.013 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817932706 627965586 /nfs/dbraw/zinc/96/55/86/627965586.db2.gz WPMMFSORSKBMRE-BZUAXINKSA-N 2 1 307.869 3.444 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817936702 627966225 /nfs/dbraw/zinc/96/62/25/627966225.db2.gz MAJVKRPIRQTOQN-FPMFFAJLSA-N 2 1 301.261 3.118 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817936016 627966343 /nfs/dbraw/zinc/96/63/43/627966343.db2.gz LRAAFFBUGDMVTN-HNNXBMFYSA-N 2 1 315.461 3.126 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cccnc1 ZINC000926902599 627975221 /nfs/dbraw/zinc/97/52/21/627975221.db2.gz ZMGKMVIDUWEELY-NPYXIHBLSA-N 2 1 305.491 3.091 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817963983 627977069 /nfs/dbraw/zinc/97/70/69/627977069.db2.gz ZTTDDLPHWLGDKX-HOCLYGCPSA-N 2 1 319.449 3.201 20 0 DGADMP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000817977779 627981796 /nfs/dbraw/zinc/98/17/96/627981796.db2.gz OTAPXKJBHCDWCQ-LJISPDSOSA-N 2 1 310.413 3.186 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC ZINC000817980927 627982401 /nfs/dbraw/zinc/98/24/01/627982401.db2.gz FTMMNYZGQIJRLT-SUMWQHHRSA-N 2 1 306.450 3.010 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000927022011 627999556 /nfs/dbraw/zinc/99/95/56/627999556.db2.gz QBQJPPKYCSBLTO-LWYYNNOASA-N 2 1 316.489 3.180 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000927022012 627999836 /nfs/dbraw/zinc/99/98/36/627999836.db2.gz QBQJPPKYCSBLTO-MUGJNUQGSA-N 2 1 316.489 3.180 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)[C@@H]2CCC[C@H]21 ZINC000927121374 628020783 /nfs/dbraw/zinc/02/07/83/628020783.db2.gz URNASAXFMOOSFN-HAGHYFMRSA-N 2 1 314.473 3.155 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C3([C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000927163669 628030136 /nfs/dbraw/zinc/03/01/36/628030136.db2.gz NBKGNYWZZPLSSE-IBGZPJMESA-N 2 1 314.473 3.342 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000818959251 628067656 /nfs/dbraw/zinc/06/76/56/628067656.db2.gz GTVHEDAXEOBGGP-JXFKEZNVSA-N 2 1 318.505 3.439 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000818961849 628068220 /nfs/dbraw/zinc/06/82/20/628068220.db2.gz VSFLBVCCCWNCNX-ZIFCJYIRSA-N 2 1 304.478 3.068 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000818961030 628068340 /nfs/dbraw/zinc/06/83/40/628068340.db2.gz NJNWTNALIGDJCJ-JTDSTZFVSA-N 2 1 322.468 3.207 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000819100471 628092180 /nfs/dbraw/zinc/09/21/80/628092180.db2.gz GTJQPYNUDLEOSH-FQEVSTJZSA-N 2 1 323.440 3.448 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819366747 628142241 /nfs/dbraw/zinc/14/22/41/628142241.db2.gz UHWDDOBBRWQSDN-UZLBHIALSA-N 2 1 312.457 3.195 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000821385851 628362613 /nfs/dbraw/zinc/36/26/13/628362613.db2.gz HERQEZFNFFVBDO-VIQWUECVSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821385851 628362617 /nfs/dbraw/zinc/36/26/17/628362617.db2.gz HERQEZFNFFVBDO-VIQWUECVSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821385851 628362619 /nfs/dbraw/zinc/36/26/19/628362619.db2.gz HERQEZFNFFVBDO-VIQWUECVSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)n1cncc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822480891 628456125 /nfs/dbraw/zinc/45/61/25/628456125.db2.gz GEDQASSJPSUOQA-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP CC(C)n1cncc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822480891 628456129 /nfs/dbraw/zinc/45/61/29/628456129.db2.gz GEDQASSJPSUOQA-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP C[C@@]1(CNCc2ccncc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332505 628652357 /nfs/dbraw/zinc/65/23/57/628652357.db2.gz OENPRCHNNPYNJW-IBGZPJMESA-N 2 1 313.420 3.223 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3c(F)cccc3F)C2)CC1 ZINC000828456483 629056094 /nfs/dbraw/zinc/05/60/94/629056094.db2.gz DKKVLTKMTOWXGT-UHFFFAOYSA-N 2 1 308.416 3.315 20 0 DGADMP CS[C@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000830883271 629315109 /nfs/dbraw/zinc/31/51/09/629315109.db2.gz FGILSLLIYOJBKR-HOTGVXAUSA-N 2 1 316.580 3.421 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)C1CC1 ZINC000841028574 630398557 /nfs/dbraw/zinc/39/85/57/630398557.db2.gz PUOZWWZZQMAOKK-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000841076872 630404885 /nfs/dbraw/zinc/40/48/85/630404885.db2.gz RVTOVJBELTZEOU-JKSUJKDBSA-N 2 1 313.445 3.103 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)[C@H](C)[NH3+] ZINC000841078110 630404990 /nfs/dbraw/zinc/40/49/90/630404990.db2.gz GGHYYNKIOZNGRT-UONOGXRCSA-N 2 1 302.393 3.230 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])CC(=O)Nc1cccc(Cl)c1 ZINC000842471992 630539055 /nfs/dbraw/zinc/53/90/55/630539055.db2.gz LASZQFRDMYXTDO-UHFFFAOYSA-N 2 1 311.857 3.120 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673673 630561736 /nfs/dbraw/zinc/56/17/36/630561736.db2.gz PMAXQSKYRWXEPE-MOPGFXCFSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673673 630561740 /nfs/dbraw/zinc/56/17/40/630561740.db2.gz PMAXQSKYRWXEPE-MOPGFXCFSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000842686980 630563073 /nfs/dbraw/zinc/56/30/73/630563073.db2.gz MYMNACJDAGWKCV-MSOLQXFVSA-N 2 1 312.461 3.143 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697199 630564773 /nfs/dbraw/zinc/56/47/73/630564773.db2.gz ONOJKMMJXCKUDD-RBUKOAKNSA-N 2 1 312.457 3.466 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697199 630564777 /nfs/dbraw/zinc/56/47/77/630564777.db2.gz ONOJKMMJXCKUDD-RBUKOAKNSA-N 2 1 312.457 3.466 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000842762724 630573214 /nfs/dbraw/zinc/57/32/14/630573214.db2.gz IOMLAHGDIZGXRC-AFYVEPGGSA-N 2 1 316.489 3.127 20 0 DGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843055903 630609263 /nfs/dbraw/zinc/60/92/63/630609263.db2.gz RRACNOBAIMHLLB-UHFFFAOYSA-N 2 1 316.367 3.329 20 0 DGADMP COc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1OC(C)C ZINC000843056060 630609330 /nfs/dbraw/zinc/60/93/30/630609330.db2.gz WLXDYAXJKBRXAA-UHFFFAOYSA-N 2 1 306.450 3.184 20 0 DGADMP CCCCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC000843057454 630609535 /nfs/dbraw/zinc/60/95/35/630609535.db2.gz DOUPEAWABAYBTC-BPUTZDHNSA-N 2 1 324.900 3.204 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC000843057454 630609537 /nfs/dbraw/zinc/60/95/37/630609537.db2.gz DOUPEAWABAYBTC-BPUTZDHNSA-N 2 1 324.900 3.204 20 0 DGADMP FC(F)(F)c1ccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000843119452 630615679 /nfs/dbraw/zinc/61/56/79/630615679.db2.gz RGZVYTCLUDHACY-OAHLLOKOSA-N 2 1 312.379 3.494 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000843342715 630647587 /nfs/dbraw/zinc/64/75/87/630647587.db2.gz SJHDTKLJIAYETJ-OAHLLOKOSA-N 3 1 300.450 3.350 20 0 DGADMP O[C@H](C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1)c1ccc(F)cc1 ZINC000843358967 630649304 /nfs/dbraw/zinc/64/93/04/630649304.db2.gz OFWYBICDWFLMTA-LJQANCHMSA-N 2 1 320.452 3.103 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000843361600 630649796 /nfs/dbraw/zinc/64/97/96/630649796.db2.gz HRKACMOEZVZYGB-MQVJKMGUSA-N 2 1 308.853 3.453 20 0 DGADMP CC[C@@H](OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000846183188 631213981 /nfs/dbraw/zinc/21/39/81/631213981.db2.gz RCAHGTSTRIWJKX-XVLXNVKGSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)[C@@H]2CCC[C@@H]21 ZINC000846214695 631215234 /nfs/dbraw/zinc/21/52/34/631215234.db2.gz LUMKNKWEPSYEJF-RFGFWPKPSA-N 2 1 305.293 3.423 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000846219588 631215302 /nfs/dbraw/zinc/21/53/02/631215302.db2.gz CQUHEINRNNHLMN-VQTJNVASSA-N 3 1 317.521 3.178 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000846218278 631215461 /nfs/dbraw/zinc/21/54/61/631215461.db2.gz PCQQRAGUAQDLQH-MRXNPFEDSA-N 2 1 304.434 3.114 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000846219868 631215494 /nfs/dbraw/zinc/21/54/94/631215494.db2.gz ADZLXCUIZSBNNA-QUCCMNQESA-N 2 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000846219868 631215496 /nfs/dbraw/zinc/21/54/96/631215496.db2.gz ADZLXCUIZSBNNA-QUCCMNQESA-N 3 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000846219868 631215498 /nfs/dbraw/zinc/21/54/98/631215498.db2.gz ADZLXCUIZSBNNA-QUCCMNQESA-N 3 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219868 631215500 /nfs/dbraw/zinc/21/55/00/631215500.db2.gz ADZLXCUIZSBNNA-QUCCMNQESA-N 3 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219868 631215502 /nfs/dbraw/zinc/21/55/02/631215502.db2.gz ADZLXCUIZSBNNA-QUCCMNQESA-N 3 1 317.521 3.490 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000846220591 631215602 /nfs/dbraw/zinc/21/56/02/631215602.db2.gz MFQPYNDGSRAXIE-MRXNPFEDSA-N 2 1 300.450 3.020 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846773854 631301395 /nfs/dbraw/zinc/30/13/95/631301395.db2.gz MDMIUCOVOGJZOM-UHFFFAOYSA-N 2 1 313.848 3.428 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(Cc2cnc(Cl)n2C)CC1 ZINC000848881224 631768370 /nfs/dbraw/zinc/76/83/70/631768370.db2.gz MGOPFBWQVCDCPZ-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(Cl)n2C)CC1 ZINC000848881224 631768373 /nfs/dbraw/zinc/76/83/73/631768373.db2.gz MGOPFBWQVCDCPZ-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(Cl)n2C)CC1 ZINC000848881224 631768376 /nfs/dbraw/zinc/76/83/76/631768376.db2.gz MGOPFBWQVCDCPZ-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCCC[C@H]1C ZINC000848987232 631798044 /nfs/dbraw/zinc/79/80/44/631798044.db2.gz NIHNKIXWJZTHTJ-VXGBXAGGSA-N 2 1 310.392 3.164 20 0 DGADMP C[N@@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)C1CCCCC1 ZINC000848987908 631798422 /nfs/dbraw/zinc/79/84/22/631798422.db2.gz NZULQMQCFKIADF-UHFFFAOYSA-N 2 1 310.392 3.166 20 0 DGADMP CC(C)CNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989164 631798721 /nfs/dbraw/zinc/79/87/21/631798721.db2.gz CFQMHSXTFDAYIU-AEFFLSMTSA-N 2 1 316.493 3.057 20 0 DGADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000848996438 631800954 /nfs/dbraw/zinc/80/09/54/631800954.db2.gz UVQZRVXQFMZRDV-OAHLLOKOSA-N 2 1 318.465 3.140 20 0 DGADMP C[C@H](CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)[NH+](C)C ZINC000848996601 631801364 /nfs/dbraw/zinc/80/13/64/631801364.db2.gz JUFLBCROZRFTBP-CQSZACIVSA-N 2 1 312.417 3.365 20 0 DGADMP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000848996655 631801748 /nfs/dbraw/zinc/80/17/48/631801748.db2.gz NKHSXWDIKDLISM-SFHVURJKSA-N 2 1 316.493 3.059 20 0 DGADMP CCC[N@H+](C)[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(Cl)cc1 ZINC000849052344 631819870 /nfs/dbraw/zinc/81/98/70/631819870.db2.gz ULAOIJIIWNZCDO-MRXNPFEDSA-N 2 1 322.884 3.341 20 0 DGADMP CCC[N@@H+](C)[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(Cl)cc1 ZINC000849052344 631819876 /nfs/dbraw/zinc/81/98/76/631819876.db2.gz ULAOIJIIWNZCDO-MRXNPFEDSA-N 2 1 322.884 3.341 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000849060334 631823627 /nfs/dbraw/zinc/82/36/27/631823627.db2.gz TUBXNLDLZDTAHH-UHFFFAOYSA-N 2 1 304.482 3.478 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)C1 ZINC000849064670 631824231 /nfs/dbraw/zinc/82/42/31/631824231.db2.gz XOXJPSHIKJKLHY-GASCZTMLSA-N 2 1 308.514 3.190 20 0 DGADMP CCCCCCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000849071328 631826087 /nfs/dbraw/zinc/82/60/87/631826087.db2.gz IAWBMXXNCHRJNS-KRWDZBQOSA-N 2 1 304.482 3.292 20 0 DGADMP COc1ccc(NC(=[NH2+])NCCCC[N@@H+](C)C2CC2)cc1Cl ZINC000849115771 631839117 /nfs/dbraw/zinc/83/91/17/631839117.db2.gz CXGKISCIKNLTRX-UHFFFAOYSA-N 2 1 324.856 3.159 20 0 DGADMP C[C@@H](N)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486498 632006758 /nfs/dbraw/zinc/00/67/58/632006758.db2.gz HSNQQJVWBDYUKX-MJGOQNOKSA-N 2 1 303.494 3.321 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)cn1 ZINC000850424526 632148725 /nfs/dbraw/zinc/14/87/25/632148725.db2.gz FNJNEMQUQDWPSR-SOLBZPMBSA-N 2 1 310.445 3.490 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850474288 632163567 /nfs/dbraw/zinc/16/35/67/632163567.db2.gz LGWRSPHIRVVZQG-CVEARBPZSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCO2 ZINC000850473298 632163774 /nfs/dbraw/zinc/16/37/74/632163774.db2.gz WLLOCSFTMQODFQ-TZUVLKIQSA-N 2 1 300.446 3.287 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000851791746 632494889 /nfs/dbraw/zinc/49/48/89/632494889.db2.gz COYNBSZGYDUKBZ-CEXWTWQISA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000851791746 632494892 /nfs/dbraw/zinc/49/48/92/632494892.db2.gz COYNBSZGYDUKBZ-CEXWTWQISA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000851791746 632494895 /nfs/dbraw/zinc/49/48/95/632494895.db2.gz COYNBSZGYDUKBZ-CEXWTWQISA-N 2 1 302.462 3.008 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(F)F ZINC000852019360 632540637 /nfs/dbraw/zinc/54/06/37/632540637.db2.gz XFWXNIFCYGUMFT-HNNXBMFYSA-N 2 1 312.404 3.116 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(F)F ZINC000852019360 632540639 /nfs/dbraw/zinc/54/06/39/632540639.db2.gz XFWXNIFCYGUMFT-HNNXBMFYSA-N 2 1 312.404 3.116 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034438021 660754107 /nfs/dbraw/zinc/75/41/07/660754107.db2.gz JZZGCDAHTOTGMH-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](C(C)C)C1 ZINC001034482008 660757655 /nfs/dbraw/zinc/75/76/55/660757655.db2.gz YCSUQCOSFKMELB-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034482008 660757656 /nfs/dbraw/zinc/75/76/56/660757656.db2.gz YCSUQCOSFKMELB-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034482008 660757658 /nfs/dbraw/zinc/75/76/58/660757658.db2.gz YCSUQCOSFKMELB-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CSC1CC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000706806389 660873486 /nfs/dbraw/zinc/87/34/86/660873486.db2.gz WKLNEWMNWXOAEG-SEEUUAMPSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000708541443 660924130 /nfs/dbraw/zinc/92/41/30/660924130.db2.gz JZKDAFAOVAJOFB-OXJNMPFZSA-N 2 1 309.457 3.248 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000792968384 660997637 /nfs/dbraw/zinc/99/76/37/660997637.db2.gz GNHIUUYSEUOSFS-VAMGGRTRSA-N 2 1 316.489 3.269 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000792968384 660997640 /nfs/dbraw/zinc/99/76/40/660997640.db2.gz GNHIUUYSEUOSFS-VAMGGRTRSA-N 2 1 316.489 3.269 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000073895235 655559116 /nfs/dbraw/zinc/55/91/16/655559116.db2.gz DSGKWYAFWGKIHM-KRWDZBQOSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000073895235 655559118 /nfs/dbraw/zinc/55/91/18/655559118.db2.gz DSGKWYAFWGKIHM-KRWDZBQOSA-N 2 1 310.869 3.178 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cnn(-c2ccccc2)c1 ZINC000317326373 655613703 /nfs/dbraw/zinc/61/37/03/655613703.db2.gz POYDFRBJFDHMNF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401433 655705999 /nfs/dbraw/zinc/70/59/99/655705999.db2.gz WXLIATGZTWINPM-GUDVDZBRSA-N 2 1 314.473 3.056 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000723697885 655716704 /nfs/dbraw/zinc/71/67/04/655716704.db2.gz DJRLWXZYHTZQGU-JTQLQIEISA-N 2 1 304.768 3.112 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000795899626 661178063 /nfs/dbraw/zinc/17/80/63/661178063.db2.gz PLTUXSJPXRHSNG-SFHVURJKSA-N 2 1 324.509 3.020 20 0 DGADMP Brc1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262084055 655774600 /nfs/dbraw/zinc/77/46/00/655774600.db2.gz UCLWNUYKSAHTHV-UHFFFAOYSA-N 2 1 315.280 3.086 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554102 655786595 /nfs/dbraw/zinc/78/65/95/655786595.db2.gz AAOYLGFGIQQIRJ-QAPCUYQASA-N 2 1 304.482 3.208 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554102 655786596 /nfs/dbraw/zinc/78/65/96/655786596.db2.gz AAOYLGFGIQQIRJ-QAPCUYQASA-N 2 1 304.482 3.208 20 0 DGADMP C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C1CCC([NH3+])CC1 ZINC000317857103 655809671 /nfs/dbraw/zinc/80/96/71/655809671.db2.gz ZZYBCMKXSVFKEI-UHFFFAOYSA-N 2 1 303.381 3.182 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC001025137243 655969806 /nfs/dbraw/zinc/96/98/06/655969806.db2.gz XNSUUXMHITVEOT-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000037250112 661222899 /nfs/dbraw/zinc/22/28/99/661222899.db2.gz RSGDIUFWELVNNB-UHFFFAOYSA-N 2 1 304.381 3.482 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC000236696992 656195510 /nfs/dbraw/zinc/19/55/10/656195510.db2.gz YFHCESKHBBEKEH-IRXDYDNUSA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC000236696992 656195514 /nfs/dbraw/zinc/19/55/14/656195514.db2.gz YFHCESKHBBEKEH-IRXDYDNUSA-N 2 1 300.446 3.117 20 0 DGADMP C[C@H]([NH3+])[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707621 656226768 /nfs/dbraw/zinc/22/67/68/656226768.db2.gz PKOCUZPMBDGPAF-WDYCEAGBSA-N 2 1 301.478 3.072 20 0 DGADMP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000299938796 656228581 /nfs/dbraw/zinc/22/85/81/656228581.db2.gz TYXMAMHQLSVCQM-MWLCHTKSSA-N 2 1 317.296 3.391 20 0 DGADMP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000299938796 656228582 /nfs/dbraw/zinc/22/85/82/656228582.db2.gz TYXMAMHQLSVCQM-MWLCHTKSSA-N 2 1 317.296 3.391 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000931462941 656276351 /nfs/dbraw/zinc/27/63/51/656276351.db2.gz BAADCQYHUWVGIH-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447229 656437074 /nfs/dbraw/zinc/43/70/74/656437074.db2.gz YWPDTVARJFTUHI-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447229 656437077 /nfs/dbraw/zinc/43/70/77/656437077.db2.gz YWPDTVARJFTUHI-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447229 656437078 /nfs/dbraw/zinc/43/70/78/656437078.db2.gz YWPDTVARJFTUHI-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000318820788 656820497 /nfs/dbraw/zinc/82/04/97/656820497.db2.gz YCMCPINQQFQXFN-OAHLLOKOSA-N 2 1 312.379 3.495 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532356 656900514 /nfs/dbraw/zinc/90/05/14/656900514.db2.gz AHITXNBOEBIUNQ-AABGKKOBSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261532356 656900518 /nfs/dbraw/zinc/90/05/18/656900518.db2.gz AHITXNBOEBIUNQ-AABGKKOBSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532356 656900521 /nfs/dbraw/zinc/90/05/21/656900521.db2.gz AHITXNBOEBIUNQ-AABGKKOBSA-N 3 1 315.505 3.006 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000261658299 656947001 /nfs/dbraw/zinc/94/70/01/656947001.db2.gz FWUDBSOPYNXRKU-UAFMIMERSA-N 2 1 315.505 3.190 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000261856203 657141648 /nfs/dbraw/zinc/14/16/48/657141648.db2.gz JYMWLPNPWASYRI-AFAVFJNCSA-N 2 1 312.413 3.499 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261990496 657273579 /nfs/dbraw/zinc/27/35/79/657273579.db2.gz KEZJLYZCBGKTNX-UHFFFAOYSA-N 2 1 324.472 3.065 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262071208 657310053 /nfs/dbraw/zinc/31/00/53/657310053.db2.gz SBKKCJODUWKADQ-UHFFFAOYSA-N 2 1 313.470 3.386 20 0 DGADMP Cc1cccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000067453110 657392147 /nfs/dbraw/zinc/39/21/47/657392147.db2.gz TZLRWLITJHLXAW-CALCHBBNSA-N 2 1 304.478 3.282 20 0 DGADMP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC000895376868 657443478 /nfs/dbraw/zinc/44/34/78/657443478.db2.gz CRTVQMOGQSNGHM-DNVCBOLYSA-N 2 1 317.477 3.197 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377785 657443566 /nfs/dbraw/zinc/44/35/66/657443566.db2.gz HBUIDRTUBKUWBD-MAUKXSAKSA-N 2 1 306.498 3.325 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377785 657443568 /nfs/dbraw/zinc/44/35/68/657443568.db2.gz HBUIDRTUBKUWBD-MAUKXSAKSA-N 2 1 306.498 3.325 20 0 DGADMP CCOC(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OCC ZINC000303379129 657531326 /nfs/dbraw/zinc/53/13/26/657531326.db2.gz PFRQTEFHXVMTNG-UHFFFAOYSA-N 2 1 320.477 3.030 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000969108446 657558380 /nfs/dbraw/zinc/55/83/80/657558380.db2.gz BRBHXTXWXLRVKY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC000969108446 657558389 /nfs/dbraw/zinc/55/83/89/657558389.db2.gz BRBHXTXWXLRVKY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC000969108446 657558392 /nfs/dbraw/zinc/55/83/92/657558392.db2.gz BRBHXTXWXLRVKY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2s1 ZINC000305297345 657704142 /nfs/dbraw/zinc/70/41/42/657704142.db2.gz GVBRGYFKWIRUFE-ARFHVFGLSA-N 2 1 316.470 3.151 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2s1 ZINC000305297345 657704151 /nfs/dbraw/zinc/70/41/51/657704151.db2.gz GVBRGYFKWIRUFE-ARFHVFGLSA-N 2 1 316.470 3.151 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000322403405 658514612 /nfs/dbraw/zinc/51/46/12/658514612.db2.gz VWOLACUIPISCPS-QGZVFWFLSA-N 2 1 312.461 3.399 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862707 659350875 /nfs/dbraw/zinc/35/08/75/659350875.db2.gz GEGWWXFUYIIEMZ-ZDUSSCGKSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862707 659350882 /nfs/dbraw/zinc/35/08/82/659350882.db2.gz GEGWWXFUYIIEMZ-ZDUSSCGKSA-N 2 1 317.296 3.332 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000174217270 659420739 /nfs/dbraw/zinc/42/07/39/659420739.db2.gz MSCWHTSZSVESTH-PBHICJAKSA-N 2 1 310.869 3.037 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000174217270 659420744 /nfs/dbraw/zinc/42/07/44/659420744.db2.gz MSCWHTSZSVESTH-PBHICJAKSA-N 2 1 310.869 3.037 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000237677563 659936082 /nfs/dbraw/zinc/93/60/82/659936082.db2.gz RQEHOIIHEBLRAT-UHFFFAOYSA-N 2 1 316.449 3.331 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070170945 660040357 /nfs/dbraw/zinc/04/03/57/660040357.db2.gz OJJMHSBQWVWKOP-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CCN1C ZINC000929779481 661338037 /nfs/dbraw/zinc/33/80/37/661338037.db2.gz ADVRLQAECYCZQD-CVEARBPZSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929779481 661338039 /nfs/dbraw/zinc/33/80/39/661338039.db2.gz ADVRLQAECYCZQD-CVEARBPZSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929779481 661338040 /nfs/dbraw/zinc/33/80/40/661338040.db2.gz ADVRLQAECYCZQD-CVEARBPZSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779481 661338044 /nfs/dbraw/zinc/33/80/44/661338044.db2.gz ADVRLQAECYCZQD-CVEARBPZSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779481 661338046 /nfs/dbraw/zinc/33/80/46/661338046.db2.gz ADVRLQAECYCZQD-CVEARBPZSA-N 2 1 324.509 3.303 20 0 DGADMP Cc1cn(C)nc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000929840852 661344043 /nfs/dbraw/zinc/34/40/43/661344043.db2.gz IFLFUUZXZOMTOX-KRWDZBQOSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cn(C)nc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000929840852 661344044 /nfs/dbraw/zinc/34/40/44/661344044.db2.gz IFLFUUZXZOMTOX-KRWDZBQOSA-N 2 1 318.509 3.205 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310895 661465733 /nfs/dbraw/zinc/46/57/33/661465733.db2.gz JQNUMUONFAESLE-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310895 661465734 /nfs/dbraw/zinc/46/57/34/661465734.db2.gz JQNUMUONFAESLE-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310895 661465738 /nfs/dbraw/zinc/46/57/38/661465738.db2.gz JQNUMUONFAESLE-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310895 661465740 /nfs/dbraw/zinc/46/57/40/661465740.db2.gz JQNUMUONFAESLE-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310895 661465742 /nfs/dbraw/zinc/46/57/42/661465742.db2.gz JQNUMUONFAESLE-GBESFXJTSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@H](C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315278 661466047 /nfs/dbraw/zinc/46/60/47/661466047.db2.gz VWNBAYQAPPXAEB-SQNIBIBYSA-N 2 1 322.880 3.301 20 0 DGADMP COc1ccc([C@@H](C)C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931318580 661467095 /nfs/dbraw/zinc/46/70/95/661467095.db2.gz VDBQVOINLFWKDZ-ZYSHUDEJSA-N 2 1 302.462 3.072 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931318580 661467096 /nfs/dbraw/zinc/46/70/96/661467096.db2.gz VDBQVOINLFWKDZ-ZYSHUDEJSA-N 2 1 302.462 3.072 20 0 DGADMP COc1ccc([C@@H](C)C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000931318580 661467097 /nfs/dbraw/zinc/46/70/97/661467097.db2.gz VDBQVOINLFWKDZ-ZYSHUDEJSA-N 2 1 302.462 3.072 20 0 DGADMP COc1ccc([C@@H](C)C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000931318580 661467098 /nfs/dbraw/zinc/46/70/98/661467098.db2.gz VDBQVOINLFWKDZ-ZYSHUDEJSA-N 2 1 302.462 3.072 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC3(CCC3)O2)CCN1c1cc[nH+]cc1 ZINC000931683207 661497434 /nfs/dbraw/zinc/49/74/34/661497434.db2.gz HPIGONXHXNAHCP-SJLPKXTDSA-N 2 1 315.461 3.084 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000931703643 661500077 /nfs/dbraw/zinc/50/00/77/661500077.db2.gz LSLORRREJOYOSP-CABCVRRESA-N 2 1 322.415 3.294 20 0 DGADMP FC1(F)C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1(F)F ZINC000931918447 661521870 /nfs/dbraw/zinc/52/18/70/661521870.db2.gz OCYMYZGFYLHNGJ-CYBMUJFWSA-N 2 1 308.363 3.229 20 0 DGADMP FC1(F)C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1(F)F ZINC000931918447 661521872 /nfs/dbraw/zinc/52/18/72/661521872.db2.gz OCYMYZGFYLHNGJ-CYBMUJFWSA-N 2 1 308.363 3.229 20 0 DGADMP Cc1nccn1CC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933656592 661648943 /nfs/dbraw/zinc/64/89/43/661648943.db2.gz QCNFZZPLMGTKTB-IBGZPJMESA-N 2 1 309.413 3.132 20 0 DGADMP CC(C)O[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734362 661654618 /nfs/dbraw/zinc/65/46/18/661654618.db2.gz RLFWBFUUQKBVOB-IPMKNSEASA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734362 661654619 /nfs/dbraw/zinc/65/46/19/661654619.db2.gz RLFWBFUUQKBVOB-IPMKNSEASA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734362 661654621 /nfs/dbraw/zinc/65/46/21/661654621.db2.gz RLFWBFUUQKBVOB-IPMKNSEASA-N 2 1 302.462 3.036 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933740301 661655268 /nfs/dbraw/zinc/65/52/68/661655268.db2.gz JCPXKESWAHVXSL-RVSPLBMKSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933740301 661655270 /nfs/dbraw/zinc/65/52/70/661655270.db2.gz JCPXKESWAHVXSL-RVSPLBMKSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740301 661655272 /nfs/dbraw/zinc/65/52/72/661655272.db2.gz JCPXKESWAHVXSL-RVSPLBMKSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740301 661655274 /nfs/dbraw/zinc/65/52/74/661655274.db2.gz JCPXKESWAHVXSL-RVSPLBMKSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740301 661655277 /nfs/dbraw/zinc/65/52/77/661655277.db2.gz JCPXKESWAHVXSL-RVSPLBMKSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740301 661655279 /nfs/dbraw/zinc/65/52/79/661655279.db2.gz JCPXKESWAHVXSL-RVSPLBMKSA-N 2 1 310.388 3.233 20 0 DGADMP CCC[N@@H+](C[C@H](O)CC)C1CCN(Cc2ccccc2)CC1 ZINC000934185580 661685508 /nfs/dbraw/zinc/68/55/08/661685508.db2.gz MQTVNFUBICUKNI-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934561305 661715114 /nfs/dbraw/zinc/71/51/14/661715114.db2.gz DIKBDYHXTGXSAC-GJZGRUSLSA-N 2 1 315.465 3.175 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(F)nc1)[N@H+](C)Cc1ccccc1 ZINC000189136438 661965247 /nfs/dbraw/zinc/96/52/47/661965247.db2.gz YVDXGMIJYMLQKH-OAHLLOKOSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(F)nc1)[N@@H+](C)Cc1ccccc1 ZINC000189136438 661965250 /nfs/dbraw/zinc/96/52/50/661965250.db2.gz YVDXGMIJYMLQKH-OAHLLOKOSA-N 2 1 301.409 3.221 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000079320253 662106592 /nfs/dbraw/zinc/10/65/92/662106592.db2.gz RHBPOBAWMXZCML-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000079320253 662106594 /nfs/dbraw/zinc/10/65/94/662106594.db2.gz RHBPOBAWMXZCML-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000246159510 662249224 /nfs/dbraw/zinc/24/92/24/662249224.db2.gz ADVOSNLNHIGTAQ-MHORFTMASA-N 2 1 308.510 3.028 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000246816934 662283932 /nfs/dbraw/zinc/28/39/32/662283932.db2.gz AXZZTTOTDWSMAP-WMZOPIPTSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2cc1C ZINC000246816934 662283933 /nfs/dbraw/zinc/28/39/33/662283933.db2.gz AXZZTTOTDWSMAP-WMZOPIPTSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2cc1C ZINC000246816934 662283934 /nfs/dbraw/zinc/28/39/34/662283934.db2.gz AXZZTTOTDWSMAP-WMZOPIPTSA-N 2 1 312.461 3.027 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)oc21 ZINC000093088819 662343338 /nfs/dbraw/zinc/34/33/38/662343338.db2.gz AXMOOVXQSHFVCL-UHFFFAOYSA-N 2 1 302.418 3.215 20 0 DGADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379633376 685149445 /nfs/dbraw/zinc/14/94/45/685149445.db2.gz UERWLFSLGXZEKG-SJLPKXTDSA-N 2 1 304.478 3.444 20 0 DGADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379633376 685149449 /nfs/dbraw/zinc/14/94/49/685149449.db2.gz UERWLFSLGXZEKG-SJLPKXTDSA-N 2 1 304.478 3.444 20 0 DGADMP CCOC1CC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380893732 685154215 /nfs/dbraw/zinc/15/42/15/685154215.db2.gz BDLNORQXIUANQK-CTWPCTMYSA-N 2 1 302.462 3.056 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@H]21 ZINC000388550840 685189535 /nfs/dbraw/zinc/18/95/35/685189535.db2.gz FXEHOPPAQIPHAS-FVQBIDKESA-N 2 1 315.848 3.447 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@H]21 ZINC000388550840 685189540 /nfs/dbraw/zinc/18/95/40/685189540.db2.gz FXEHOPPAQIPHAS-FVQBIDKESA-N 2 1 315.848 3.447 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C[NH2+]CCO1 ZINC001576519546 1191836079 /nfs/dbraw/zinc/83/60/79/1191836079.db2.gz QYFOSGOMEYFGHK-GUDVDZBRSA-N 2 1 302.462 3.071 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(C)n1 ZINC001659733709 1196410104 /nfs/dbraw/zinc/41/01/04/1196410104.db2.gz HPVOMDASSHAKRH-CRAIPNDOSA-N 2 1 306.498 3.154 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(C)n1 ZINC001659733709 1196410101 /nfs/dbraw/zinc/41/01/01/1196410101.db2.gz HPVOMDASSHAKRH-CRAIPNDOSA-N 2 1 306.498 3.154 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC001576591779 1191849601 /nfs/dbraw/zinc/84/96/01/1191849601.db2.gz JZZHGEBHUSXNLU-SCTDSRPQSA-N 2 1 303.494 3.034 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC001576591779 1191849617 /nfs/dbraw/zinc/84/96/17/1191849617.db2.gz JZZHGEBHUSXNLU-SCTDSRPQSA-N 2 1 303.494 3.034 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)C1 ZINC001576671315 1191861595 /nfs/dbraw/zinc/86/15/95/1191861595.db2.gz XXCBAOOJYYNZQB-BCYZHJNNSA-N 2 1 308.510 3.028 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCC1([NH3+])CCOCC1 ZINC001577096719 1191883931 /nfs/dbraw/zinc/88/39/31/1191883931.db2.gz WTEZGLCQIJTJMF-GOSISDBHSA-N 2 1 304.478 3.228 20 0 DGADMP CC[C@@H]1C[N@@H+](C/C(C)=C/c2ccccc2COC)CC[C@H]1[NH3+] ZINC001577279737 1191891529 /nfs/dbraw/zinc/89/15/29/1191891529.db2.gz PAKOZUXWNQVHDY-XFXDYTQGSA-N 2 1 302.462 3.296 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c(C)c1 ZINC001578176472 1191929401 /nfs/dbraw/zinc/92/94/01/1191929401.db2.gz HSWPYASLRIAUBT-HKUYNNGSSA-N 2 1 302.462 3.345 20 0 DGADMP CCOc1ccc2c(c1)C[N@H+](C[C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC001578189130 1191930451 /nfs/dbraw/zinc/93/04/51/1191930451.db2.gz CPVQMBSNKQQJJX-WKILWMFISA-N 2 1 302.462 3.209 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001578741399 1191953953 /nfs/dbraw/zinc/95/39/53/1191953953.db2.gz NLLZEJCWWKFLPA-UHFFFAOYSA-N 2 1 306.413 3.086 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C(C)(C)C ZINC001620785571 1191957006 /nfs/dbraw/zinc/95/70/06/1191957006.db2.gz FZKVJTFKZNWNEO-MRXNPFEDSA-N 2 1 304.478 3.424 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(CC(F)(F)F)cc1)C2 ZINC001579475324 1191977516 /nfs/dbraw/zinc/97/75/16/1191977516.db2.gz HCUDRHLGXQZFPE-IYBDPMFKSA-N 2 1 312.379 3.223 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(CC(F)(F)F)cc1)C2 ZINC001579475324 1191977517 /nfs/dbraw/zinc/97/75/17/1191977517.db2.gz HCUDRHLGXQZFPE-IYBDPMFKSA-N 2 1 312.379 3.223 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC001579549715 1191978560 /nfs/dbraw/zinc/97/85/60/1191978560.db2.gz AIIKDPXNPHDGNE-VXGBXAGGSA-N 2 1 315.280 3.179 20 0 DGADMP Cc1c(Cl)cccc1N1CCC[N@H+](CCC[NH2+]C2CC2)CC1 ZINC001579535707 1191979239 /nfs/dbraw/zinc/97/92/39/1191979239.db2.gz RQTKUOIOPNQSQK-UHFFFAOYSA-N 2 1 321.896 3.303 20 0 DGADMP Cc1c(Cl)cccc1N1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC001579535707 1191979240 /nfs/dbraw/zinc/97/92/40/1191979240.db2.gz RQTKUOIOPNQSQK-UHFFFAOYSA-N 2 1 321.896 3.303 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC001579691629 1191987509 /nfs/dbraw/zinc/98/75/09/1191987509.db2.gz BYAFPGMVHLAIDI-KRWDZBQOSA-N 2 1 312.461 3.099 20 0 DGADMP Cc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC001579691629 1191987511 /nfs/dbraw/zinc/98/75/11/1191987511.db2.gz BYAFPGMVHLAIDI-KRWDZBQOSA-N 2 1 312.461 3.099 20 0 DGADMP Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CCO2 ZINC001579738035 1191990050 /nfs/dbraw/zinc/99/00/50/1191990050.db2.gz KJQWSIUQQAXBAV-UHFFFAOYSA-N 2 1 308.425 3.035 20 0 DGADMP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC001579785201 1191993558 /nfs/dbraw/zinc/99/35/58/1191993558.db2.gz CZOCIUUFGYMAQN-OALUTQOASA-N 2 1 324.472 3.002 20 0 DGADMP Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC001579800542 1191994883 /nfs/dbraw/zinc/99/48/83/1191994883.db2.gz UCPWARFPBLWNLA-UHFFFAOYSA-N 2 1 323.484 3.162 20 0 DGADMP Cc1ccccc1CN1CCC[N@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001579800542 1191994885 /nfs/dbraw/zinc/99/48/85/1191994885.db2.gz UCPWARFPBLWNLA-UHFFFAOYSA-N 2 1 323.484 3.162 20 0 DGADMP Cc1ccccc1CN1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001579800542 1191994887 /nfs/dbraw/zinc/99/48/87/1191994887.db2.gz UCPWARFPBLWNLA-UHFFFAOYSA-N 2 1 323.484 3.162 20 0 DGADMP FC(F)(F)c1cscc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001580021528 1192002836 /nfs/dbraw/zinc/00/28/36/1192002836.db2.gz RZGNCUGHLGDUES-SECBINFHSA-N 2 1 314.323 3.101 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)C12CCC2 ZINC001580162553 1192010884 /nfs/dbraw/zinc/01/08/84/1192010884.db2.gz BVCGSSAHSKQWBD-STQMWFEESA-N 2 1 305.472 3.231 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC001580215076 1192014189 /nfs/dbraw/zinc/01/41/89/1192014189.db2.gz BXGJCWCTNVOCAO-ZCNNSNEGSA-N 2 1 314.473 3.351 20 0 DGADMP [NH3+]C[C@]12C[N@@H+](CCCOCc3ccccc3)C[C@@H]1CCCC2 ZINC001580254209 1192016383 /nfs/dbraw/zinc/01/63/83/1192016383.db2.gz BCPWEJNYBPCHDI-RBUKOAKNSA-N 2 1 302.462 3.044 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001580286857 1192019460 /nfs/dbraw/zinc/01/94/60/1192019460.db2.gz NURJEFPLVNUZHQ-LBPRGKRZSA-N 2 1 300.805 3.061 20 0 DGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001580366301 1192023925 /nfs/dbraw/zinc/02/39/25/1192023925.db2.gz UEZVKSLXSJVUFK-HBMCJLEFSA-N 2 1 324.468 3.145 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC001580422813 1192025820 /nfs/dbraw/zinc/02/58/20/1192025820.db2.gz DYGLCXPMGPSYMS-OKILXGFUSA-N 2 1 321.783 3.246 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3c(c2)ncn3C)C1 ZINC001620724181 1192075742 /nfs/dbraw/zinc/07/57/42/1192075742.db2.gz LPANTINVYHLGOS-IYBDPMFKSA-N 2 1 314.477 3.031 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001620831573 1192308446 /nfs/dbraw/zinc/30/84/46/1192308446.db2.gz YYANAUBOQWZBAR-TWGQIWQCSA-N 2 1 302.462 3.179 20 0 DGADMP C[C@H](CC[NH2+]Cc1cc(F)c(F)c(F)c1)[NH+]1CCCCC1 ZINC001620898376 1192564181 /nfs/dbraw/zinc/56/41/81/1192564181.db2.gz RLCRQYIPFSJPQC-GFCCVEGCSA-N 2 1 300.368 3.458 20 0 DGADMP Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC000076400272 1176041398 /nfs/dbraw/zinc/04/13/98/1176041398.db2.gz YVBQYAGBRAVUKN-UHFFFAOYSA-N 2 1 323.484 3.032 20 0 DGADMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384069077 1177081305 /nfs/dbraw/zinc/08/13/05/1177081305.db2.gz KRBMQFLERQZKOG-GOSISDBHSA-N 2 1 304.478 3.290 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000129981184 1177358119 /nfs/dbraw/zinc/35/81/19/1177358119.db2.gz DKYKKTFBTWPYFY-HBUWYVDXSA-N 2 1 316.493 3.477 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001691636585 1177400733 /nfs/dbraw/zinc/40/07/33/1177400733.db2.gz ISWPICXRUQELIF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001691636586 1177400868 /nfs/dbraw/zinc/40/08/68/1177400868.db2.gz ISWPICXRUQELIF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001168762596 1177664011 /nfs/dbraw/zinc/66/40/11/1177664011.db2.gz VJQIGMJORVLODR-KOHRHEQBSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001168762596 1177664016 /nfs/dbraw/zinc/66/40/16/1177664016.db2.gz VJQIGMJORVLODR-KOHRHEQBSA-N 2 1 322.493 3.105 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001330998887 1178107795 /nfs/dbraw/zinc/10/77/95/1178107795.db2.gz AKBJJTLFJGRDGI-ZDUSSCGKSA-N 2 1 323.868 3.120 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)CC1(C)C ZINC001331693862 1178271534 /nfs/dbraw/zinc/27/15/34/1178271534.db2.gz YKWZYWKPBOQMQW-DOTOQJQBSA-N 2 1 310.869 3.010 20 0 DGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389422 1178434132 /nfs/dbraw/zinc/43/41/32/1178434132.db2.gz BBEFBNAQMXTYFG-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389422 1178434140 /nfs/dbraw/zinc/43/41/40/1178434140.db2.gz BBEFBNAQMXTYFG-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389422 1178434146 /nfs/dbraw/zinc/43/41/46/1178434146.db2.gz BBEFBNAQMXTYFG-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC001332399201 1178435522 /nfs/dbraw/zinc/43/55/22/1178435522.db2.gz BMOGYKVEVGRZFD-MRXNPFEDSA-N 2 1 321.534 3.135 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])sc2C1 ZINC001332556647 1178462399 /nfs/dbraw/zinc/46/23/99/1178462399.db2.gz RKMLDECRMAFHLW-NFAWXSAZSA-N 2 1 307.507 3.217 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])sc2C1 ZINC001332556647 1178462402 /nfs/dbraw/zinc/46/24/02/1178462402.db2.gz RKMLDECRMAFHLW-NFAWXSAZSA-N 2 1 307.507 3.217 20 0 DGADMP COC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001332999347 1178536467 /nfs/dbraw/zinc/53/64/67/1178536467.db2.gz JPAKZYDVQSPXIX-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC001333686040 1178653846 /nfs/dbraw/zinc/65/38/46/1178653846.db2.gz VSAKZLKJRQPZAD-OCCSQVGLSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H]1CC(CC[N@H+]2CC[NH2+]CCC23CCOCC3)C[C@H](C)C1 ZINC001335332161 1178896516 /nfs/dbraw/zinc/89/65/16/1178896516.db2.gz WWCHIMVQUSGHFT-IAGOWNOFSA-N 2 1 308.510 3.293 20 0 DGADMP CC[C@@H](NC[C@@H]1CCC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521123 1178925947 /nfs/dbraw/zinc/92/59/47/1178925947.db2.gz LKGIUKSJUHXUBO-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521123 1178925950 /nfs/dbraw/zinc/92/59/50/1178925950.db2.gz LKGIUKSJUHXUBO-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2C1 ZINC001335581809 1178932562 /nfs/dbraw/zinc/93/25/62/1178932562.db2.gz FVWNYDHQAMQRJZ-QXAKKESOSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2C1 ZINC001335581150 1178932847 /nfs/dbraw/zinc/93/28/47/1178932847.db2.gz BUZPKMFCHQWORD-NLWGTHIKSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)nc3)C[C@@H]2C1 ZINC001343333544 1179258447 /nfs/dbraw/zinc/25/84/47/1179258447.db2.gz POYCNOGJXWFITB-SOUVJXGZSA-N 2 1 309.404 3.181 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC001344041706 1179369488 /nfs/dbraw/zinc/36/94/88/1179369488.db2.gz SMMLBDLVRCYGQW-IRXDYDNUSA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC001344041706 1179369495 /nfs/dbraw/zinc/36/94/95/1179369495.db2.gz SMMLBDLVRCYGQW-IRXDYDNUSA-N 2 1 310.457 3.204 20 0 DGADMP CC[NH+](C/C=C\C[N@H+](CC)Cc1ccncc1)Cc1ccncc1 ZINC001347099780 1179777157 /nfs/dbraw/zinc/77/71/57/1179777157.db2.gz ZRVRJCAFJGCVFL-WAYWQWQTSA-N 2 1 324.472 3.377 20 0 DGADMP CC(C)(c1nc([C@H]([NH3+])c2ccccc2)no1)[C@H]([NH3+])c1ccccc1 ZINC001349297650 1179889744 /nfs/dbraw/zinc/88/97/44/1179889744.db2.gz AHBFVLBDOCKXTI-HZPDHXFCSA-N 2 1 322.412 3.095 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001353583325 1180596701 /nfs/dbraw/zinc/59/67/01/1180596701.db2.gz FKTYLHWGLUIQAL-MRXNPFEDSA-N 2 1 324.472 3.233 20 0 DGADMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001355372942 1181045580 /nfs/dbraw/zinc/04/55/80/1181045580.db2.gz HITCJQYMSLNYNI-CGTJXYLNSA-N 2 1 302.462 3.247 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(Br)cc1F ZINC001579601759 1181830319 /nfs/dbraw/zinc/83/03/19/1181830319.db2.gz ZJSPGGRAQAKQKJ-NWDGAFQWSA-N 2 1 315.230 3.256 20 0 DGADMP [NH3+][C@H](C[NH2+]CCCCCc1ccc(F)cc1)CC(F)(F)F ZINC001580132111 1182023073 /nfs/dbraw/zinc/02/30/73/1182023073.db2.gz LVAJSTWNKBPXPU-AWEZNQCLSA-N 2 1 306.347 3.408 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001459621730 1182600330 /nfs/dbraw/zinc/60/03/30/1182600330.db2.gz HKAHMNBUKJSZFA-AZUAARDMSA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001459621730 1182600335 /nfs/dbraw/zinc/60/03/35/1182600335.db2.gz HKAHMNBUKJSZFA-AZUAARDMSA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001459621730 1182600340 /nfs/dbraw/zinc/60/03/40/1182600340.db2.gz HKAHMNBUKJSZFA-AZUAARDMSA-N 2 1 316.489 3.428 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC001459930420 1182631506 /nfs/dbraw/zinc/63/15/06/1182631506.db2.gz GDWPCYWKIVFVNW-JKSUJKDBSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001459930420 1182631512 /nfs/dbraw/zinc/63/15/12/1182631512.db2.gz GDWPCYWKIVFVNW-JKSUJKDBSA-N 2 1 317.477 3.223 20 0 DGADMP CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460568470 1182695903 /nfs/dbraw/zinc/69/59/03/1182695903.db2.gz LLPUEKSFWNSYOI-QAPCUYQASA-N 2 1 320.477 3.158 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1CC2(CCC2)CO1)CC1CC[NH+](C)CC1 ZINC001460670419 1182706076 /nfs/dbraw/zinc/70/60/76/1182706076.db2.gz ISGSGLRCFHWXTR-SFHVURJKSA-N 2 1 308.510 3.245 20 0 DGADMP CC1CC[NH+](CCC[NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC001461015211 1182757756 /nfs/dbraw/zinc/75/77/56/1182757756.db2.gz RZSCZKYLEKDAHX-UHFFFAOYSA-N 2 1 320.868 3.199 20 0 DGADMP Cc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682203 1182842812 /nfs/dbraw/zinc/84/28/12/1182842812.db2.gz NEEYOIDMWYGMJF-GOSISDBHSA-N 2 1 313.489 3.375 20 0 DGADMP Cc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682203 1182842816 /nfs/dbraw/zinc/84/28/16/1182842816.db2.gz NEEYOIDMWYGMJF-GOSISDBHSA-N 2 1 313.489 3.375 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001462203574 1182924156 /nfs/dbraw/zinc/92/41/56/1182924156.db2.gz YRMBIKATXODZPX-UHFFFAOYSA-N 2 1 314.376 3.172 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001462203574 1182924158 /nfs/dbraw/zinc/92/41/58/1182924158.db2.gz YRMBIKATXODZPX-UHFFFAOYSA-N 2 1 314.376 3.172 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C12CCCCC2 ZINC001462443356 1182954031 /nfs/dbraw/zinc/95/40/31/1182954031.db2.gz XLAUJOCOCLUYCC-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001462672088 1182984559 /nfs/dbraw/zinc/98/45/59/1182984559.db2.gz ISNVCNIKNXKFBF-GFCCVEGCSA-N 2 1 308.495 3.223 20 0 DGADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001473148626 1183721005 /nfs/dbraw/zinc/72/10/05/1183721005.db2.gz AHXKOLKORQCZPW-QZTJIDSGSA-N 2 1 324.509 3.018 20 0 DGADMP CC[C@@]1(C)CCC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001473185782 1183726564 /nfs/dbraw/zinc/72/65/64/1183726564.db2.gz HWIALLVHVKSYEJ-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185782 1183726567 /nfs/dbraw/zinc/72/65/67/1183726567.db2.gz HWIALLVHVKSYEJ-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185782 1183726571 /nfs/dbraw/zinc/72/65/71/1183726571.db2.gz HWIALLVHVKSYEJ-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473185782 1183726572 /nfs/dbraw/zinc/72/65/72/1183726572.db2.gz HWIALLVHVKSYEJ-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473185782 1183726580 /nfs/dbraw/zinc/72/65/80/1183726580.db2.gz HWIALLVHVKSYEJ-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H](CO)[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473509696 1183767650 /nfs/dbraw/zinc/76/76/50/1183767650.db2.gz FSFYNNQCPWNLPB-HXUWFJFHSA-N 2 1 318.505 3.034 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473957104 1183837770 /nfs/dbraw/zinc/83/77/70/1183837770.db2.gz KCUBFTJJZOMYCR-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473957104 1183837772 /nfs/dbraw/zinc/83/77/72/1183837772.db2.gz KCUBFTJJZOMYCR-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001473961249 1183838496 /nfs/dbraw/zinc/83/84/96/1183838496.db2.gz ZJBFABBGWPIKHV-OAHLLOKOSA-N 2 1 302.462 3.364 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OC ZINC001473968156 1183840149 /nfs/dbraw/zinc/84/01/49/1183840149.db2.gz LUBBMSYSXRYHFQ-GJZGRUSLSA-N 2 1 308.466 3.302 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc(C)c1OC(F)F ZINC001474301100 1183900225 /nfs/dbraw/zinc/90/02/25/1183900225.db2.gz FAABNXZUJLYYJM-OWCLPIDISA-N 2 1 324.415 3.335 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316602 1183903153 /nfs/dbraw/zinc/90/31/53/1183903153.db2.gz CKLBOBOAWYJFOK-WMLDXEAASA-N 2 1 307.457 3.196 20 0 DGADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339805 1183906206 /nfs/dbraw/zinc/90/62/06/1183906206.db2.gz NZKKAPROXQROLJ-OTWHNJEPSA-N 2 1 310.526 3.491 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CCC1CCCCC1)CC[NH+](C)C ZINC001474500516 1183932139 /nfs/dbraw/zinc/93/21/39/1183932139.db2.gz MCHFKMGYVOMBCT-IBGZPJMESA-N 2 1 309.542 3.305 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001474509198 1183932866 /nfs/dbraw/zinc/93/28/66/1183932866.db2.gz QWZWTJFAONFPTH-QYZOEREBSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001474509198 1183932868 /nfs/dbraw/zinc/93/28/68/1183932868.db2.gz QWZWTJFAONFPTH-QYZOEREBSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001474561714 1183940604 /nfs/dbraw/zinc/94/06/04/1183940604.db2.gz UMQCQKNLRRFABG-GGPKGHCWSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474561714 1183940608 /nfs/dbraw/zinc/94/06/08/1183940608.db2.gz UMQCQKNLRRFABG-GGPKGHCWSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474561714 1183940610 /nfs/dbraw/zinc/94/06/10/1183940610.db2.gz UMQCQKNLRRFABG-GGPKGHCWSA-N 2 1 317.521 3.358 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001474575158 1183943539 /nfs/dbraw/zinc/94/35/39/1183943539.db2.gz BZKGBNRKVKXYFW-OAHLLOKOSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001474575158 1183943542 /nfs/dbraw/zinc/94/35/42/1183943542.db2.gz BZKGBNRKVKXYFW-OAHLLOKOSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1Cc2ccccc2C1 ZINC001474647808 1183955612 /nfs/dbraw/zinc/95/56/12/1183955612.db2.gz UYEYSODTSWGXHT-OXJNMPFZSA-N 2 1 300.490 3.454 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1C(C)=CCC[C@H]1C ZINC001474660841 1183957348 /nfs/dbraw/zinc/95/73/48/1183957348.db2.gz VICOCUPIZPDMDN-IEBWSBKVSA-N 2 1 308.510 3.269 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CCSCC1 ZINC001474662006 1183958242 /nfs/dbraw/zinc/95/82/42/1183958242.db2.gz AGEOXYKWGIBPGX-VQIMIIECSA-N 2 1 318.530 3.487 20 0 DGADMP Cc1scc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1C ZINC001474685802 1183961765 /nfs/dbraw/zinc/96/17/65/1183961765.db2.gz CFJRECXLZVZFJK-CYBMUJFWSA-N 2 1 301.459 3.471 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3n2C)CCN1c1cc[nH+]cc1 ZINC001474686106 1183961775 /nfs/dbraw/zinc/96/17/75/1183961775.db2.gz LQIBUVAAAKFHBL-INIZCTEOSA-N 2 1 320.440 3.284 20 0 DGADMP CCO[C@H](C[NH2+]C1CCC(C)(c2ccccc2)CC1)C[NH+](C)C ZINC001474703074 1183964234 /nfs/dbraw/zinc/96/42/34/1183964234.db2.gz SXVRZTMDBXXVIF-IOJLRTSASA-N 2 1 318.505 3.443 20 0 DGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503022615 1186036882 /nfs/dbraw/zinc/03/68/82/1186036882.db2.gz AZLNSTUXQKOGJV-XDIYQJDNSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001503022615 1186036886 /nfs/dbraw/zinc/03/68/86/1186036886.db2.gz AZLNSTUXQKOGJV-XDIYQJDNSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001503022615 1186036890 /nfs/dbraw/zinc/03/68/90/1186036890.db2.gz AZLNSTUXQKOGJV-XDIYQJDNSA-N 2 1 323.525 3.042 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001507381199 1186410831 /nfs/dbraw/zinc/41/08/31/1186410831.db2.gz AYNASSGMXLGFJA-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C([C@H]1CCCC12CCOCC2)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001615543524 1193523819 /nfs/dbraw/zinc/52/38/19/1193523819.db2.gz KVLAQURATYVRFK-RBUKOAKNSA-N 2 1 320.521 3.391 20 0 DGADMP CO[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001615811387 1193528630 /nfs/dbraw/zinc/52/86/30/1193528630.db2.gz DYQSJEJBDOCYIC-FQEVSTJZSA-N 2 1 316.489 3.052 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346101 1193536144 /nfs/dbraw/zinc/53/61/44/1193536144.db2.gz HAFORSDKYMXKCH-RTBURBONSA-N 2 1 308.510 3.266 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346101 1193536145 /nfs/dbraw/zinc/53/61/45/1193536145.db2.gz HAFORSDKYMXKCH-RTBURBONSA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346101 1193536146 /nfs/dbraw/zinc/53/61/46/1193536146.db2.gz HAFORSDKYMXKCH-RTBURBONSA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CCC1CCCCC1)C1CC1 ZINC001616346101 1193536147 /nfs/dbraw/zinc/53/61/47/1193536147.db2.gz HAFORSDKYMXKCH-RTBURBONSA-N 2 1 308.510 3.266 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)c1C ZINC001549113117 1188495998 /nfs/dbraw/zinc/49/59/98/1188495998.db2.gz DESVHBPMRHVBLP-FXAWDEMLSA-N 2 1 314.473 3.375 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117170 1188497150 /nfs/dbraw/zinc/49/71/50/1188497150.db2.gz QLXKVULINCJLHR-VQIMIIECSA-N 2 1 311.429 3.211 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117170 1188497152 /nfs/dbraw/zinc/49/71/52/1188497152.db2.gz QLXKVULINCJLHR-VQIMIIECSA-N 2 1 311.429 3.211 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccccc2)CCO1 ZINC001549181937 1188500116 /nfs/dbraw/zinc/50/01/16/1188500116.db2.gz TXCNVVINGKHCHY-GTAWCEEGSA-N 2 1 316.489 3.173 20 0 DGADMP c1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC001549182557 1188500692 /nfs/dbraw/zinc/50/06/92/1188500692.db2.gz XNCIBIDVMLQONZ-HBFSDRIKSA-N 2 1 322.452 3.288 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001550175689 1188590812 /nfs/dbraw/zinc/59/08/12/1188590812.db2.gz UOIOTDNKOOUIDL-APWZRJJASA-N 2 1 311.429 3.211 20 0 DGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[C@@H]3CCC[N@H+]3C)ccc21 ZINC001550318833 1188603702 /nfs/dbraw/zinc/60/37/02/1188603702.db2.gz NRPTUXMUIGIXBZ-WMZOPIPTSA-N 2 1 315.461 3.048 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)C3CCCC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550351540 1188608949 /nfs/dbraw/zinc/60/89/49/1188608949.db2.gz DKABENFDJJHGBP-IQRFUGTFSA-N 2 1 308.510 3.025 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC001550349536 1188608954 /nfs/dbraw/zinc/60/89/54/1188608954.db2.gz QDZHWAPGTCYOPE-VQHPVUNQSA-N 2 1 306.400 3.096 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001550350987 1188609053 /nfs/dbraw/zinc/60/90/53/1188609053.db2.gz HMWTXWNFWQWMPM-DWRORGKVSA-N 2 1 308.510 3.025 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H](O)C2 ZINC001550349636 1188609125 /nfs/dbraw/zinc/60/91/25/1188609125.db2.gz AMZGHBPQBSKZOQ-SGYMCOKNSA-N 2 1 308.510 3.025 20 0 DGADMP FC1(F)[C@@H](c2ccccc2)[C@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001550349045 1188609222 /nfs/dbraw/zinc/60/92/22/1188609222.db2.gz KUCNAXLEOPJCIG-MLHJIOFPSA-N 2 1 320.427 3.499 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001550352966 1188609325 /nfs/dbraw/zinc/60/93/25/1188609325.db2.gz JDFIFKBBRODTAU-BPQIPLTHSA-N 2 1 324.472 3.112 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)C3CCCC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550351542 1188609363 /nfs/dbraw/zinc/60/93/63/1188609363.db2.gz DKABENFDJJHGBP-YYTXDEJISA-N 2 1 308.510 3.025 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@@H](O)C2 ZINC001550353257 1188609865 /nfs/dbraw/zinc/60/98/65/1188609865.db2.gz QXVMTWSWNRRILC-OREBXVKISA-N 2 1 308.510 3.025 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC001550542911 1188622874 /nfs/dbraw/zinc/62/28/74/1188622874.db2.gz AOFSESUYHVONDN-HOTGVXAUSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC001550542911 1188622877 /nfs/dbraw/zinc/62/28/77/1188622877.db2.gz AOFSESUYHVONDN-HOTGVXAUSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC001550542911 1188622880 /nfs/dbraw/zinc/62/28/80/1188622880.db2.gz AOFSESUYHVONDN-HOTGVXAUSA-N 2 1 317.864 3.178 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543171 1188623016 /nfs/dbraw/zinc/62/30/16/1188623016.db2.gz IINBBLJJNPGTOO-SJLPKXTDSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550543171 1188623018 /nfs/dbraw/zinc/62/30/18/1188623018.db2.gz IINBBLJJNPGTOO-SJLPKXTDSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550543171 1188623021 /nfs/dbraw/zinc/62/30/21/1188623021.db2.gz IINBBLJJNPGTOO-SJLPKXTDSA-N 2 1 302.462 3.202 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)CCOC3)CC1 ZINC001550705571 1188643599 /nfs/dbraw/zinc/64/35/99/1188643599.db2.gz XJFXKRVIWWAKBA-UHFFFAOYSA-N 2 1 314.473 3.210 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)o3)C[C@H]2C1 ZINC001551259544 1188722535 /nfs/dbraw/zinc/72/25/35/1188722535.db2.gz GJWDRWLXVJTZFA-YNEHKIRRSA-N 2 1 316.367 3.461 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC001551378150 1188732118 /nfs/dbraw/zinc/73/21/18/1188732118.db2.gz HVDJLYLHMXIUAJ-JMERFSKESA-N 2 1 311.429 3.477 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H](c2ccccc2)O1 ZINC001551393520 1188735764 /nfs/dbraw/zinc/73/57/64/1188735764.db2.gz FUXPDAHZVDZHMP-NEWSRXKRSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@@H](c2ccccc2)O1 ZINC001551393520 1188735767 /nfs/dbraw/zinc/73/57/67/1188735767.db2.gz FUXPDAHZVDZHMP-NEWSRXKRSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@@H](c2ccccc2)O1 ZINC001551393520 1188735770 /nfs/dbraw/zinc/73/57/70/1188735770.db2.gz FUXPDAHZVDZHMP-NEWSRXKRSA-N 2 1 302.462 3.323 20 0 DGADMP CCO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080817 1188816922 /nfs/dbraw/zinc/81/69/22/1188816922.db2.gz IZNVKTVAGYIZKV-YDZRNGNQSA-N 2 1 302.462 3.417 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)ccc1C[NH+]1CCCCC1 ZINC001552154206 1188819641 /nfs/dbraw/zinc/81/96/41/1188819641.db2.gz DUTGSMJGBCYXAC-WOJBJXKFSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@H+]2C[C@H]3CCOC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC001552169344 1188822397 /nfs/dbraw/zinc/82/23/97/1188822397.db2.gz PJXHRXSLLWEERB-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC001553864688 1188952739 /nfs/dbraw/zinc/95/27/39/1188952739.db2.gz QRNWYNHLSYIPNX-LBPRGKRZSA-N 2 1 314.364 3.080 20 0 DGADMP Cn1cncc1[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC001553864688 1188952743 /nfs/dbraw/zinc/95/27/43/1188952743.db2.gz QRNWYNHLSYIPNX-LBPRGKRZSA-N 2 1 314.364 3.080 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C[C@](O)(c2ccccc2)C(C)C)CC1 ZINC001559487614 1189209379 /nfs/dbraw/zinc/20/93/79/1189209379.db2.gz JNXNNEWIYMYRAN-HXUWFJFHSA-N 2 1 318.505 3.336 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001559689318 1189231965 /nfs/dbraw/zinc/23/19/65/1189231965.db2.gz MIALCQJLWVJPJD-RTBURBONSA-N 2 1 306.494 3.455 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001559689318 1189231968 /nfs/dbraw/zinc/23/19/68/1189231968.db2.gz MIALCQJLWVJPJD-RTBURBONSA-N 2 1 306.494 3.455 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001559852315 1189250177 /nfs/dbraw/zinc/25/01/77/1189250177.db2.gz KRBQXBCKAGPQLD-BZSNNMDCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001559852315 1189250182 /nfs/dbraw/zinc/25/01/82/1189250182.db2.gz KRBQXBCKAGPQLD-BZSNNMDCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001559852315 1189250186 /nfs/dbraw/zinc/25/01/86/1189250186.db2.gz KRBQXBCKAGPQLD-BZSNNMDCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC001559945857 1189259680 /nfs/dbraw/zinc/25/96/80/1189259680.db2.gz FUYCKNRIFGPOCK-GOSISDBHSA-N 2 1 324.896 3.051 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001560068748 1189275129 /nfs/dbraw/zinc/27/51/29/1189275129.db2.gz HCAQOSLLPGYORY-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1ccc2c(c1)CCO2 ZINC001560100328 1189277803 /nfs/dbraw/zinc/27/78/03/1189277803.db2.gz JDRUQMKSMXBKJX-UHFFFAOYSA-N 2 1 316.489 3.362 20 0 DGADMP CC(C)[NH+](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC001560245582 1189297892 /nfs/dbraw/zinc/29/78/92/1189297892.db2.gz HSQLFEONUGCEKG-AZUAARDMSA-N 2 1 317.521 3.215 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001560262799 1189301605 /nfs/dbraw/zinc/30/16/05/1189301605.db2.gz PEEARTTYYODISV-CYBMUJFWSA-N 2 1 310.388 3.170 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001560262799 1189301606 /nfs/dbraw/zinc/30/16/06/1189301606.db2.gz PEEARTTYYODISV-CYBMUJFWSA-N 2 1 310.388 3.170 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC001560366504 1189319030 /nfs/dbraw/zinc/31/90/30/1189319030.db2.gz HFHLUEYWLODBFG-UHFFFAOYSA-N 2 1 315.461 3.142 20 0 DGADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001560436319 1189328369 /nfs/dbraw/zinc/32/83/69/1189328369.db2.gz AWCITOYYGBIZLU-OAHLLOKOSA-N 2 1 306.450 3.058 20 0 DGADMP c1[nH+]cn2cc(C[NH2+]Cc3cnc(-c4ccccc4)nc3)ccc12 ZINC001560499551 1189333986 /nfs/dbraw/zinc/33/39/86/1189333986.db2.gz HPEFJNYSURMPJN-UHFFFAOYSA-N 2 1 315.380 3.081 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948528 1189409473 /nfs/dbraw/zinc/40/94/73/1189409473.db2.gz ZHNVSXCSAFKBTG-NVXWUHKLSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948528 1189409475 /nfs/dbraw/zinc/40/94/75/1189409475.db2.gz ZHNVSXCSAFKBTG-NVXWUHKLSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1C[C@H]1CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001561050313 1189426654 /nfs/dbraw/zinc/42/66/54/1189426654.db2.gz TWIJVMGBXUVTSB-GJZGRUSLSA-N 2 1 310.445 3.055 20 0 DGADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568138032 1190433446 /nfs/dbraw/zinc/43/34/46/1190433446.db2.gz ANIDOHPMIJXOOZ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC001657703042 1196170606 /nfs/dbraw/zinc/17/06/06/1196170606.db2.gz QPGVIZCVWDRCJK-MOPGFXCFSA-N 2 1 306.494 3.237 20 0 DGADMP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CCCCCF)c(C)n1 ZINC001569130095 1190633475 /nfs/dbraw/zinc/63/34/75/1190633475.db2.gz MGMWCULPMFYRHE-OAHLLOKOSA-N 2 1 323.456 3.197 20 0 DGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1)C(C)C ZINC001620763513 1191443248 /nfs/dbraw/zinc/44/32/48/1191443248.db2.gz AGALZRZKCAPQQY-IRXDYDNUSA-N 2 1 312.498 3.208 20 0 DGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1)C(C)C ZINC001620763513 1191443249 /nfs/dbraw/zinc/44/32/49/1191443249.db2.gz AGALZRZKCAPQQY-IRXDYDNUSA-N 2 1 312.498 3.208 20 0 DGADMP CC(C)(C[NH3+])C1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC001575310030 1191474829 /nfs/dbraw/zinc/47/48/29/1191474829.db2.gz CTKZWKNEAWZMGU-UHFFFAOYSA-N 2 1 304.482 3.195 20 0 DGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001575594375 1191494864 /nfs/dbraw/zinc/49/48/64/1191494864.db2.gz YRGARVXWHPPWJD-LJQANCHMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001576052201 1191525099 /nfs/dbraw/zinc/52/50/99/1191525099.db2.gz IKWBSYDDKFWUTI-LBPRGKRZSA-N 2 1 305.397 3.071 20 0 DGADMP C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC001576314919 1191559581 /nfs/dbraw/zinc/55/95/81/1191559581.db2.gz HXQYOPFFMDFDMY-NEPJUHHUSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC001576314919 1191559590 /nfs/dbraw/zinc/55/95/90/1191559590.db2.gz HXQYOPFFMDFDMY-NEPJUHHUSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC001576314919 1191559604 /nfs/dbraw/zinc/55/96/04/1191559604.db2.gz HXQYOPFFMDFDMY-NEPJUHHUSA-N 2 1 306.841 3.209 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cc(F)cc3cccnc32)[C@@H]2CCC[NH2+][C@H]21 ZINC001576388765 1191579127 /nfs/dbraw/zinc/57/91/27/1191579127.db2.gz BPVIZEBGTBMRGH-KBAYOESNSA-N 2 1 313.420 3.240 20 0 DGADMP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070546 1193723602 /nfs/dbraw/zinc/72/36/02/1193723602.db2.gz RAWIBNSZFXOSTK-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070546 1193723603 /nfs/dbraw/zinc/72/36/03/1193723603.db2.gz RAWIBNSZFXOSTK-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001618070546 1193723607 /nfs/dbraw/zinc/72/36/07/1193723607.db2.gz RAWIBNSZFXOSTK-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001618070546 1193723612 /nfs/dbraw/zinc/72/36/12/1193723612.db2.gz RAWIBNSZFXOSTK-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC001618569749 1193744106 /nfs/dbraw/zinc/74/41/06/1193744106.db2.gz GCPYCEYXEGBXAF-SFHVURJKSA-N 2 1 324.428 3.058 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](CCCOc3cccc(Cl)c3)C[C@@]2(C)C1 ZINC001620471734 1193771457 /nfs/dbraw/zinc/77/14/57/1193771457.db2.gz YCGLYUZNJPWCAD-QZTJIDSGSA-N 2 1 322.880 3.383 20 0 DGADMP CCOCCC[N@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001620501753 1193773444 /nfs/dbraw/zinc/77/34/44/1193773444.db2.gz MMXWJZDKDSLNPB-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CCOCCC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001620501753 1193773447 /nfs/dbraw/zinc/77/34/47/1193773447.db2.gz MMXWJZDKDSLNPB-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CCOCCC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001620501753 1193773448 /nfs/dbraw/zinc/77/34/48/1193773448.db2.gz MMXWJZDKDSLNPB-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CCOCCC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001620501753 1193773449 /nfs/dbraw/zinc/77/34/49/1193773449.db2.gz MMXWJZDKDSLNPB-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1ccc(F)c(F)c1 ZINC001620594077 1193781795 /nfs/dbraw/zinc/78/17/95/1193781795.db2.gz GLYMLMFGEHPOHG-CQSZACIVSA-N 2 1 317.383 3.113 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001621107826 1193802684 /nfs/dbraw/zinc/80/26/84/1193802684.db2.gz ANGNFEPLHVXKCA-CWRNSKLLSA-N 2 1 323.278 3.187 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(Oc4ccccn4)c3)[C@@H]2C1 ZINC001621108016 1193803714 /nfs/dbraw/zinc/80/37/14/1193803714.db2.gz FQMZVKUHLIUISI-UHOSZYNNSA-N 2 1 323.440 3.304 20 0 DGADMP C[N@H+](Cc1cc2c(cccc2O)s1)C[C@@H]1CCC[NH+](C)C1 ZINC001621138919 1193806620 /nfs/dbraw/zinc/80/66/20/1193806620.db2.gz ULQOAUIPDXNTEJ-CYBMUJFWSA-N 2 1 304.459 3.381 20 0 DGADMP C[NH+](Cc1cc2c(cccc2O)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC001621138919 1193806624 /nfs/dbraw/zinc/80/66/24/1193806624.db2.gz ULQOAUIPDXNTEJ-CYBMUJFWSA-N 2 1 304.459 3.381 20 0 DGADMP C[NH+](Cc1cc2c(cccc2O)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001621138919 1193806627 /nfs/dbraw/zinc/80/66/27/1193806627.db2.gz ULQOAUIPDXNTEJ-CYBMUJFWSA-N 2 1 304.459 3.381 20 0 DGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001621288435 1193827439 /nfs/dbraw/zinc/82/74/39/1193827439.db2.gz IDMOQKJFBGGQDL-QGZVFWFLSA-N 2 1 304.482 3.162 20 0 DGADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCS1 ZINC001621299738 1193828493 /nfs/dbraw/zinc/82/84/93/1193828493.db2.gz SZULQVGMPGDAHV-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP C[C@@]1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCS1 ZINC001621299738 1193828496 /nfs/dbraw/zinc/82/84/96/1193828496.db2.gz SZULQVGMPGDAHV-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP C[C@@]1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCCS1 ZINC001621299738 1193828498 /nfs/dbraw/zinc/82/84/98/1193828498.db2.gz SZULQVGMPGDAHV-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001621313620 1193829032 /nfs/dbraw/zinc/82/90/32/1193829032.db2.gz HVOLMDNKRVMSEE-MRXNPFEDSA-N 2 1 320.452 3.388 20 0 DGADMP COc1cccc(C2CC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001621384635 1193835882 /nfs/dbraw/zinc/83/58/82/1193835882.db2.gz VGDARZTXLGZHEZ-FAEJEUNOSA-N 2 1 302.462 3.263 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1F ZINC001621457578 1193845569 /nfs/dbraw/zinc/84/55/69/1193845569.db2.gz IDAMCROHTSVZQI-YOEHRIQHSA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1F ZINC001621457578 1193845571 /nfs/dbraw/zinc/84/55/71/1193845571.db2.gz IDAMCROHTSVZQI-YOEHRIQHSA-N 2 1 308.441 3.387 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cnccc1Nc1ccccc1 ZINC001644207867 1195089794 /nfs/dbraw/zinc/08/97/94/1195089794.db2.gz DIHYEXQBBKDZAY-GASCZTMLSA-N 2 1 324.428 3.058 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)CCCC[NH+]2CCCCC2)C1 ZINC001644302087 1195097639 /nfs/dbraw/zinc/09/76/39/1195097639.db2.gz PKQBHRVCAHBGQK-KDURUIRLSA-N 2 1 309.542 3.162 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001644681428 1195126146 /nfs/dbraw/zinc/12/61/46/1195126146.db2.gz DRRPKCGSJJZHCP-YTQUADARSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001644681428 1195126149 /nfs/dbraw/zinc/12/61/49/1195126149.db2.gz DRRPKCGSJJZHCP-YTQUADARSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001644681428 1195126156 /nfs/dbraw/zinc/12/61/56/1195126156.db2.gz DRRPKCGSJJZHCP-YTQUADARSA-N 2 1 304.478 3.081 20 0 DGADMP CC(C)C1CCC(C[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC001647049374 1195244039 /nfs/dbraw/zinc/24/40/39/1195244039.db2.gz WWBSCBWYXXHATM-UHFFFAOYSA-N 2 1 311.558 3.264 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC001647765366 1195252741 /nfs/dbraw/zinc/25/27/41/1195252741.db2.gz BATCPSDWZMLRFU-IBGZPJMESA-N 2 1 304.478 3.391 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC001647765366 1195252745 /nfs/dbraw/zinc/25/27/45/1195252745.db2.gz BATCPSDWZMLRFU-IBGZPJMESA-N 2 1 304.478 3.391 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1SC ZINC000063903754 1195324714 /nfs/dbraw/zinc/32/47/14/1195324714.db2.gz FPQXVSQCFGOSNS-UHFFFAOYSA-N 2 1 306.475 3.134 20 0 DGADMP CCn1ccc(C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)n1 ZINC001648725278 1195325183 /nfs/dbraw/zinc/32/51/83/1195325183.db2.gz KQPULFMGWWXJOJ-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001650827771 1195386722 /nfs/dbraw/zinc/38/67/22/1195386722.db2.gz OGXDMDHKSWBGOD-UHFFFAOYSA-N 2 1 313.445 3.224 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001650890607 1195392608 /nfs/dbraw/zinc/39/26/08/1195392608.db2.gz KGULMJOLUKHVOS-ZDUSSCGKSA-N 2 1 315.383 3.302 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC001651178533 1195423192 /nfs/dbraw/zinc/42/31/92/1195423192.db2.gz FNQUGHFJECDYJE-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC001651697662 1195498329 /nfs/dbraw/zinc/49/83/29/1195498329.db2.gz FTDMJMMVRQDHJF-JLJPHGGASA-N 2 1 315.848 3.318 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC001651697662 1195498335 /nfs/dbraw/zinc/49/83/35/1195498335.db2.gz FTDMJMMVRQDHJF-JLJPHGGASA-N 2 1 315.848 3.318 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652361987 1195587744 /nfs/dbraw/zinc/58/77/44/1195587744.db2.gz UBSLBTWZTWDFMS-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652361987 1195587750 /nfs/dbraw/zinc/58/77/50/1195587750.db2.gz UBSLBTWZTWDFMS-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCc3ccc(F)c(F)c3)C2)CC1 ZINC001652393566 1195591933 /nfs/dbraw/zinc/59/19/33/1195591933.db2.gz BTIYFPJPSULDOY-INIZCTEOSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001652871905 1195665023 /nfs/dbraw/zinc/66/50/23/1195665023.db2.gz RCMNQIZSXXDYEP-MRXNPFEDSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3)c2)CCO1 ZINC000067976715 1195687114 /nfs/dbraw/zinc/68/71/14/1195687114.db2.gz MIRZRZDQZOIOQW-QGZVFWFLSA-N 2 1 310.441 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3)c2)CCO1 ZINC000067976715 1195687118 /nfs/dbraw/zinc/68/71/18/1195687118.db2.gz MIRZRZDQZOIOQW-QGZVFWFLSA-N 2 1 310.441 3.197 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001653230470 1195702002 /nfs/dbraw/zinc/70/20/02/1195702002.db2.gz ISTRZSBSNKAHQZ-IEBWSBKVSA-N 2 1 321.553 3.351 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCOC(F)(F)F ZINC001653276687 1195707164 /nfs/dbraw/zinc/70/71/64/1195707164.db2.gz ONTWOUGMVWQAAO-UHFFFAOYSA-N 2 1 307.360 3.084 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCOC(F)(F)F ZINC001653276687 1195707168 /nfs/dbraw/zinc/70/71/68/1195707168.db2.gz ONTWOUGMVWQAAO-UHFFFAOYSA-N 2 1 307.360 3.084 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC001653446300 1195721718 /nfs/dbraw/zinc/72/17/18/1195721718.db2.gz YBQJQSLOTVLEJM-UXHICEINSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC001653446300 1195721720 /nfs/dbraw/zinc/72/17/20/1195721720.db2.gz YBQJQSLOTVLEJM-UXHICEINSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001653446300 1195721721 /nfs/dbraw/zinc/72/17/21/1195721721.db2.gz YBQJQSLOTVLEJM-UXHICEINSA-N 2 1 320.521 3.339 20 0 DGADMP Cc1cc(C)c([C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C)c1 ZINC001653795280 1195750875 /nfs/dbraw/zinc/75/08/75/1195750875.db2.gz CXCKGQZQQKEELH-LJQANCHMSA-N 2 1 319.537 3.488 20 0 DGADMP CC(C)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001654065421 1195771538 /nfs/dbraw/zinc/77/15/38/1195771538.db2.gz HANACZYEUJQRLK-CALCHBBNSA-N 2 1 304.478 3.384 20 0 DGADMP CC(C)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001654065421 1195771540 /nfs/dbraw/zinc/77/15/40/1195771540.db2.gz HANACZYEUJQRLK-CALCHBBNSA-N 2 1 304.478 3.384 20 0 DGADMP CC(C)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001654065421 1195771543 /nfs/dbraw/zinc/77/15/43/1195771543.db2.gz HANACZYEUJQRLK-CALCHBBNSA-N 2 1 304.478 3.384 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001654099998 1195775044 /nfs/dbraw/zinc/77/50/44/1195775044.db2.gz VEJKBKHYWWPBNC-RDJZCZTQSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001654511885 1195811569 /nfs/dbraw/zinc/81/15/69/1195811569.db2.gz BUAUKUWZNBXQLR-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001654511885 1195811571 /nfs/dbraw/zinc/81/15/71/1195811571.db2.gz BUAUKUWZNBXQLR-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728185 1195834050 /nfs/dbraw/zinc/83/40/50/1195834050.db2.gz WAKUNDUILBXOQA-WTGUMLROSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728185 1195834057 /nfs/dbraw/zinc/83/40/57/1195834057.db2.gz WAKUNDUILBXOQA-WTGUMLROSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728185 1195834063 /nfs/dbraw/zinc/83/40/63/1195834063.db2.gz WAKUNDUILBXOQA-WTGUMLROSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728185 1195834071 /nfs/dbraw/zinc/83/40/71/1195834071.db2.gz WAKUNDUILBXOQA-WTGUMLROSA-N 2 1 314.473 3.008 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@H+](C)Cc3ccccc3)c12 ZINC001654913506 1195854313 /nfs/dbraw/zinc/85/43/13/1195854313.db2.gz PMKWPSHLPUUJLY-UHFFFAOYSA-N 2 1 323.444 3.406 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@@H+](C)Cc3ccccc3)c12 ZINC001654913506 1195854319 /nfs/dbraw/zinc/85/43/19/1195854319.db2.gz PMKWPSHLPUUJLY-UHFFFAOYSA-N 2 1 323.444 3.406 20 0 DGADMP COCc1cccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC001655274056 1195898388 /nfs/dbraw/zinc/89/83/88/1195898388.db2.gz NNEBNLVNXBGUEB-UHFFFAOYSA-N 2 1 324.468 3.371 20 0 DGADMP COCc1cccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC001655274056 1195898390 /nfs/dbraw/zinc/89/83/90/1195898390.db2.gz NNEBNLVNXBGUEB-UHFFFAOYSA-N 2 1 324.468 3.371 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1N)C[NH+]1CCCC1 ZINC001655323277 1195904199 /nfs/dbraw/zinc/90/41/99/1195904199.db2.gz RLRJESWELZDNIN-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)nc1 ZINC001655331075 1195904878 /nfs/dbraw/zinc/90/48/78/1195904878.db2.gz XERDVFQCUSZYHC-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)nc1 ZINC001655331075 1195904880 /nfs/dbraw/zinc/90/48/80/1195904880.db2.gz XERDVFQCUSZYHC-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001655421409 1195914836 /nfs/dbraw/zinc/91/48/36/1195914836.db2.gz WQSYESNOHQNWBI-INIZCTEOSA-N 2 1 306.498 3.076 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001655421409 1195914838 /nfs/dbraw/zinc/91/48/38/1195914838.db2.gz WQSYESNOHQNWBI-INIZCTEOSA-N 2 1 306.498 3.076 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC001655451910 1195919582 /nfs/dbraw/zinc/91/95/82/1195919582.db2.gz ZKTWCJYYGBKIAZ-SFHVURJKSA-N 2 1 315.505 3.498 20 0 DGADMP C[C@@H]1C[N@@H+](CCSc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001655463068 1195921207 /nfs/dbraw/zinc/92/12/07/1195921207.db2.gz FPERMDIFOBBTCI-MRXNPFEDSA-N 2 1 313.470 3.384 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001655717796 1195955829 /nfs/dbraw/zinc/95/58/29/1195955829.db2.gz PDYDZKVBDQRFJE-CYBMUJFWSA-N 2 1 313.367 3.056 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC001655725500 1195956308 /nfs/dbraw/zinc/95/63/08/1195956308.db2.gz YWQQYIHIZCPLSO-QZTJIDSGSA-N 2 1 318.509 3.430 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1C ZINC001655921735 1195977784 /nfs/dbraw/zinc/97/77/84/1195977784.db2.gz HHSNOIYIVPLPRH-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1C ZINC001655921735 1195977787 /nfs/dbraw/zinc/97/77/87/1195977787.db2.gz HHSNOIYIVPLPRH-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cc1C ZINC001655921735 1195977790 /nfs/dbraw/zinc/97/77/90/1195977790.db2.gz HHSNOIYIVPLPRH-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1ccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)cc1C ZINC001655921735 1195977793 /nfs/dbraw/zinc/97/77/93/1195977793.db2.gz HHSNOIYIVPLPRH-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001655962017 1195983410 /nfs/dbraw/zinc/98/34/10/1195983410.db2.gz GPYGDZXRWYBENM-ICSRJNTNSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC001655980609 1195984829 /nfs/dbraw/zinc/98/48/29/1195984829.db2.gz HGYUOVULIZMRAU-UHFFFAOYSA-N 2 1 306.498 3.221 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001656500829 1196044589 /nfs/dbraw/zinc/04/45/89/1196044589.db2.gz OIKVHRAKTCODQV-WMLDXEAASA-N 2 1 305.466 3.079 20 0 DGADMP Cc1cc(F)ccc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001656573177 1196051248 /nfs/dbraw/zinc/05/12/48/1196051248.db2.gz AIBZPBDXLORJTK-KDURUIRLSA-N 2 1 302.437 3.442 20 0 DGADMP Cc1cc(F)ccc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001656573177 1196051249 /nfs/dbraw/zinc/05/12/49/1196051249.db2.gz AIBZPBDXLORJTK-KDURUIRLSA-N 2 1 302.437 3.442 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656573177 1196051250 /nfs/dbraw/zinc/05/12/50/1196051250.db2.gz AIBZPBDXLORJTK-KDURUIRLSA-N 2 1 302.437 3.442 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656573177 1196051253 /nfs/dbraw/zinc/05/12/53/1196051253.db2.gz AIBZPBDXLORJTK-KDURUIRLSA-N 2 1 302.437 3.442 20 0 DGADMP COc1cc(C)c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC001656795213 1196072038 /nfs/dbraw/zinc/07/20/38/1196072038.db2.gz WSYPSRGMVBANQG-MRXNPFEDSA-N 2 1 319.493 3.451 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001656802225 1196072447 /nfs/dbraw/zinc/07/24/47/1196072447.db2.gz WPIIVETUFDBBGY-MSOLQXFVSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001656947092 1196085907 /nfs/dbraw/zinc/08/59/07/1196085907.db2.gz KSDUJUANWKQZPH-IXDOHACOSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001656947092 1196085910 /nfs/dbraw/zinc/08/59/10/1196085910.db2.gz KSDUJUANWKQZPH-IXDOHACOSA-N 2 1 302.462 3.263 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000072629574 1196095854 /nfs/dbraw/zinc/09/58/54/1196095854.db2.gz AUPHSARLJBIDKG-UHFFFAOYSA-N 2 1 317.477 3.130 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)c1ccccc1F ZINC001657057130 1196098102 /nfs/dbraw/zinc/09/81/02/1196098102.db2.gz PVYYKZAQLVTHOX-UHFFFAOYSA-N 2 1 301.409 3.354 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@]3(C)CCCCO3)C2)CC1 ZINC001657304741 1196129088 /nfs/dbraw/zinc/12/90/88/1196129088.db2.gz VOABUQVXXOCSPF-OALUTQOASA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccccc1Cl ZINC001657313845 1196129651 /nfs/dbraw/zinc/12/96/51/1196129651.db2.gz LJFNUYKIWTUEOM-ZDUSSCGKSA-N 2 1 319.836 3.358 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001657455723 1196142962 /nfs/dbraw/zinc/14/29/62/1196142962.db2.gz CVMBYOBGVHWGCL-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001657455723 1196142965 /nfs/dbraw/zinc/14/29/65/1196142965.db2.gz CVMBYOBGVHWGCL-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001657455723 1196142968 /nfs/dbraw/zinc/14/29/68/1196142968.db2.gz CVMBYOBGVHWGCL-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cn1 ZINC001657627890 1196162133 /nfs/dbraw/zinc/16/21/33/1196162133.db2.gz JKGPEPQEWNXARI-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC001657627890 1196162135 /nfs/dbraw/zinc/16/21/35/1196162135.db2.gz JKGPEPQEWNXARI-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC001657703042 1196170601 /nfs/dbraw/zinc/17/06/01/1196170601.db2.gz QPGVIZCVWDRCJK-MOPGFXCFSA-N 2 1 306.494 3.237 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC(OCc2ccccc2)C1 ZINC001657849578 1196185535 /nfs/dbraw/zinc/18/55/35/1196185535.db2.gz JGAIRTKAECHZCG-UHFFFAOYSA-N 2 1 313.445 3.261 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CC(OCc2ccccc2)C1 ZINC001657849578 1196185541 /nfs/dbraw/zinc/18/55/41/1196185541.db2.gz JGAIRTKAECHZCG-UHFFFAOYSA-N 2 1 313.445 3.261 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC(F)F)CC2)cc1 ZINC001658153838 1196218504 /nfs/dbraw/zinc/21/85/04/1196218504.db2.gz ACXDQZCGAOUUGE-UHFFFAOYSA-N 2 1 300.368 3.077 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC001658186796 1196222033 /nfs/dbraw/zinc/22/20/33/1196222033.db2.gz VSJIZPPYTOCVHB-INIZCTEOSA-N 2 1 300.450 3.082 20 0 DGADMP CCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001658586146 1196276844 /nfs/dbraw/zinc/27/68/44/1196276844.db2.gz IYPOHXKBXNCURJ-APWZRJJASA-N 2 1 304.478 3.312 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001659035631 1196335320 /nfs/dbraw/zinc/33/53/20/1196335320.db2.gz WFVHDLNILZLCJG-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCCN3C)CC2)C1 ZINC001659035631 1196335326 /nfs/dbraw/zinc/33/53/26/1196335326.db2.gz WFVHDLNILZLCJG-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001659120329 1196347887 /nfs/dbraw/zinc/34/78/87/1196347887.db2.gz KCHZKLAMXYUTTA-UHFFFAOYSA-N 2 1 322.493 3.255 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(Sc4ccccc4)C3)[C@H]2C1 ZINC001659118485 1196348472 /nfs/dbraw/zinc/34/84/72/1196348472.db2.gz MAECCJZQBREYHJ-VPZVSGPOSA-N 2 1 302.487 3.240 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125450 1196350120 /nfs/dbraw/zinc/35/01/20/1196350120.db2.gz PMUYZDQWTYGMDC-IBGZPJMESA-N 2 1 306.494 3.074 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001659376870 1196376290 /nfs/dbraw/zinc/37/62/90/1196376290.db2.gz IYFOKKCSHFIBMJ-HOTGVXAUSA-N 2 1 320.477 3.446 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001659376870 1196376292 /nfs/dbraw/zinc/37/62/92/1196376292.db2.gz IYFOKKCSHFIBMJ-HOTGVXAUSA-N 2 1 320.477 3.446 20 0 DGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001659438512 1196383450 /nfs/dbraw/zinc/38/34/50/1196383450.db2.gz QVKFAAQNGPPLRN-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001659438512 1196383453 /nfs/dbraw/zinc/38/34/53/1196383453.db2.gz QVKFAAQNGPPLRN-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC001659527564 1196391800 /nfs/dbraw/zinc/39/18/00/1196391800.db2.gz GIAAPMFVVHFWAT-HXUWFJFHSA-N 2 1 314.473 3.240 20 0 DGADMP COc1ccc(SCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001659813331 1196416788 /nfs/dbraw/zinc/41/67/88/1196416788.db2.gz WTBJXFGQCHSZHY-GOOCMWNKSA-N 2 1 306.475 3.002 20 0 DGADMP CN(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000075756444 1196417446 /nfs/dbraw/zinc/41/74/46/1196417446.db2.gz RBGPGIXZEYYSFJ-UHFFFAOYSA-N 2 1 323.484 3.377 20 0 DGADMP CC1(C)CCC(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001660004706 1196437050 /nfs/dbraw/zinc/43/70/50/1196437050.db2.gz ZXFJOQJHRWJWOQ-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001660004706 1196437055 /nfs/dbraw/zinc/43/70/55/1196437055.db2.gz ZXFJOQJHRWJWOQ-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001660126227 1196449329 /nfs/dbraw/zinc/44/93/29/1196449329.db2.gz BIJQSGLPKPHKMD-KBAYOESNSA-N 2 1 324.509 3.351 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001660126227 1196449332 /nfs/dbraw/zinc/44/93/32/1196449332.db2.gz BIJQSGLPKPHKMD-KBAYOESNSA-N 2 1 324.509 3.351 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCCc4ccsc4)C[C@@]2(C1)CCCC3 ZINC001660702050 1196514185 /nfs/dbraw/zinc/51/41/85/1196514185.db2.gz YIEACUGDVZISLH-HDICACEKSA-N 2 1 304.503 3.489 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001660884501 1196538980 /nfs/dbraw/zinc/53/89/80/1196538980.db2.gz FZISVKVRXDLRSS-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001661183661 1196577107 /nfs/dbraw/zinc/57/71/07/1196577107.db2.gz HFGSUDKJAQYDAK-FUHWJXTLSA-N 2 1 316.489 3.264 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C)c2)CC1 ZINC001661228781 1196585150 /nfs/dbraw/zinc/58/51/50/1196585150.db2.gz RAZQLVJLRQVVAZ-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC001661411619 1196603295 /nfs/dbraw/zinc/60/32/95/1196603295.db2.gz KGLBFTXFHZGNDS-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2ccccc2OC(F)F)CCCC1 ZINC001662173396 1196690510 /nfs/dbraw/zinc/69/05/10/1196690510.db2.gz JKTDXPZEVJAYJP-UHFFFAOYSA-N 2 1 312.404 3.500 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000078411549 1196725323 /nfs/dbraw/zinc/72/53/23/1196725323.db2.gz YAAHHYQAHHZVHB-UHFFFAOYSA-N 2 1 300.450 3.063 20 0 DGADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001664984284 1197084415 /nfs/dbraw/zinc/08/44/15/1197084415.db2.gz UPFSUPJQQMWIAH-DOTOQJQBSA-N 2 1 302.462 3.090 20 0 DGADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001664984284 1197084420 /nfs/dbraw/zinc/08/44/20/1197084420.db2.gz UPFSUPJQQMWIAH-DOTOQJQBSA-N 2 1 302.462 3.090 20 0 DGADMP C[N@H+]1CCC[C@@H](CNCc2cnc(-c3cccs3)s2)C1 ZINC000083455865 1197429913 /nfs/dbraw/zinc/42/99/13/1197429913.db2.gz VDKZTBAHJVASIX-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000083455865 1197429917 /nfs/dbraw/zinc/42/99/17/1197429917.db2.gz VDKZTBAHJVASIX-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP CCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001673588544 1197675669 /nfs/dbraw/zinc/67/56/69/1197675669.db2.gz GAVCZGYKBGBXBA-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1CC(CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)C1 ZINC000089127993 1197833714 /nfs/dbraw/zinc/83/37/14/1197833714.db2.gz WJCPCJBHQPXNPA-QWFCFKBJSA-N 2 1 321.553 3.161 20 0 DGADMP CCCCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001674796702 1197876824 /nfs/dbraw/zinc/87/68/24/1197876824.db2.gz PJFPTZNCEGDKAV-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001674981592 1197946276 /nfs/dbraw/zinc/94/62/76/1197946276.db2.gz XOYOUCKCJULZBY-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001674981592 1197946281 /nfs/dbraw/zinc/94/62/81/1197946281.db2.gz XOYOUCKCJULZBY-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001674981592 1197946285 /nfs/dbraw/zinc/94/62/85/1197946285.db2.gz XOYOUCKCJULZBY-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)CC1CC[NH+](C)CC1 ZINC000104083720 1199515873 /nfs/dbraw/zinc/51/58/73/1199515873.db2.gz NYFNNGYXEZBTGU-UHFFFAOYSA-N 2 1 317.408 3.254 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000105457755 1199542110 /nfs/dbraw/zinc/54/21/10/1199542110.db2.gz DJOIWOHTJLMCEA-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC000107801523 1199589241 /nfs/dbraw/zinc/58/92/41/1199589241.db2.gz UPXUWNWBARFKSV-UHFFFAOYSA-N 2 1 315.505 3.104 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000304617996 1199668960 /nfs/dbraw/zinc/66/89/60/1199668960.db2.gz XMJDZZHSTBLLNW-WQUXRXDGSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC[C@H]1O ZINC000304609960 1199669319 /nfs/dbraw/zinc/66/93/19/1199669319.db2.gz DUTJMFIPWAEHMG-UXHICEINSA-N 2 1 316.489 3.182 20 0 DGADMP Cc1cccnc1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309706562 1199708259 /nfs/dbraw/zinc/70/82/59/1199708259.db2.gz HYFBLJPCRYVJRF-IBGZPJMESA-N 2 1 309.457 3.392 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309706562 1199708262 /nfs/dbraw/zinc/70/82/62/1199708262.db2.gz HYFBLJPCRYVJRF-IBGZPJMESA-N 2 1 309.457 3.392 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309762266 1199710272 /nfs/dbraw/zinc/71/02/72/1199710272.db2.gz YKVRWCVRHYAZSO-QGZVFWFLSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309762266 1199710276 /nfs/dbraw/zinc/71/02/76/1199710276.db2.gz YKVRWCVRHYAZSO-QGZVFWFLSA-N 2 1 315.486 3.453 20 0 DGADMP CC/C=C\CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754311117 1200198351 /nfs/dbraw/zinc/19/83/51/1200198351.db2.gz NDUMVBBPGHDDSR-ZPUOCTKUSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000125872020 1200467634 /nfs/dbraw/zinc/46/76/34/1200467634.db2.gz NFIQLSUADHQHDD-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP c1ccc(-c2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2)nc1 ZINC000126706093 1200604375 /nfs/dbraw/zinc/60/43/75/1200604375.db2.gz DZKLAAWZNLMWOE-QGZVFWFLSA-N 2 1 307.441 3.323 20 0 DGADMP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700408684 1202264611 /nfs/dbraw/zinc/26/46/11/1202264611.db2.gz JZUPSXUAYXVQIJ-SJORKVTESA-N 2 1 323.525 3.090 20 0 DGADMP CC(C)[NH2+]CC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC001753506024 1202278081 /nfs/dbraw/zinc/27/80/81/1202278081.db2.gz LFQQEFCRVROMTF-UHFFFAOYSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001700758316 1202349617 /nfs/dbraw/zinc/34/96/17/1202349617.db2.gz BBQDQNQPLGXVKX-INIZCTEOSA-N 2 1 323.525 3.042 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2C)C1 ZINC000151393909 1202592262 /nfs/dbraw/zinc/59/22/62/1202592262.db2.gz BOQSBPZMOYKRBV-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151798681 1202593049 /nfs/dbraw/zinc/59/30/49/1202593049.db2.gz AUHWDOLATWFGBT-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000151878321 1202593379 /nfs/dbraw/zinc/59/33/79/1202593379.db2.gz IBYAGGRSNRFLRE-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000233542428 1202602793 /nfs/dbraw/zinc/60/27/93/1202602793.db2.gz ZKVVEZCCTXEXAH-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC000159323761 1202604642 /nfs/dbraw/zinc/60/46/42/1202604642.db2.gz DUZSENYWIRTUHA-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CC(C)CC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000236732938 1202622474 /nfs/dbraw/zinc/62/24/74/1202622474.db2.gz ICJJFMVULSOCQC-CALCHBBNSA-N 2 1 304.478 3.432 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000236937755 1202636005 /nfs/dbraw/zinc/63/60/05/1202636005.db2.gz GSQGINYPIWIGAY-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000237005293 1202640614 /nfs/dbraw/zinc/64/06/14/1202640614.db2.gz MHKDAKHBGKSQPT-FUHWJXTLSA-N 2 1 306.494 3.141 20 0 DGADMP C[NH+](C)CC(C)(C)CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000237092411 1202646696 /nfs/dbraw/zinc/64/66/96/1202646696.db2.gz MXTBYMARKZQJBH-UHFFFAOYSA-N 2 1 319.537 3.322 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000237092411 1202646697 /nfs/dbraw/zinc/64/66/97/1202646697.db2.gz MXTBYMARKZQJBH-UHFFFAOYSA-N 3 1 319.537 3.322 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000237092411 1202646698 /nfs/dbraw/zinc/64/66/98/1202646698.db2.gz MXTBYMARKZQJBH-UHFFFAOYSA-N 3 1 319.537 3.322 20 0 DGADMP C[C@@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C1CC1 ZINC000237337239 1202671236 /nfs/dbraw/zinc/67/12/36/1202671236.db2.gz QTFUMZJZPGEUJI-KRWDZBQOSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H](CNCC(C)(C)C[NH+](C)Cc1ccccc1)[N@H+](C)C1CC1 ZINC000237337239 1202671237 /nfs/dbraw/zinc/67/12/37/1202671237.db2.gz QTFUMZJZPGEUJI-KRWDZBQOSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H](CNCC(C)(C)C[NH+](C)Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000237337239 1202671238 /nfs/dbraw/zinc/67/12/38/1202671238.db2.gz QTFUMZJZPGEUJI-KRWDZBQOSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001717196575 1203597560 /nfs/dbraw/zinc/59/75/60/1203597560.db2.gz HCBVOMKGQKDYMU-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001717196575 1203597562 /nfs/dbraw/zinc/59/75/62/1203597562.db2.gz HCBVOMKGQKDYMU-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001717196575 1203597564 /nfs/dbraw/zinc/59/75/64/1203597564.db2.gz HCBVOMKGQKDYMU-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001717856352 1203722697 /nfs/dbraw/zinc/72/26/97/1203722697.db2.gz RUOSVKYDUNVERB-NVXWUHKLSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001717856352 1203722698 /nfs/dbraw/zinc/72/26/98/1203722698.db2.gz RUOSVKYDUNVERB-NVXWUHKLSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001717856352 1203722700 /nfs/dbraw/zinc/72/27/00/1203722700.db2.gz RUOSVKYDUNVERB-NVXWUHKLSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001731465440 1204422350 /nfs/dbraw/zinc/42/23/50/1204422350.db2.gz AJAAFWJXGOYOHK-AYHJJNSGSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001731465440 1204422351 /nfs/dbraw/zinc/42/23/51/1204422351.db2.gz AJAAFWJXGOYOHK-AYHJJNSGSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001731465440 1204422352 /nfs/dbraw/zinc/42/23/52/1204422352.db2.gz AJAAFWJXGOYOHK-AYHJJNSGSA-N 2 1 323.525 3.019 20 0 DGADMP CC[NH+](CC)C1CCN(c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001165053750 722007264 /nfs/dbraw/zinc/00/72/64/722007264.db2.gz FBMXJIRDGFYZQZ-UHFFFAOYSA-N 2 1 312.461 3.362 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273670 1091159960 /nfs/dbraw/zinc/15/99/60/1091159960.db2.gz ODEVIDVSOMMADE-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273670 1091159964 /nfs/dbraw/zinc/15/99/64/1091159964.db2.gz ODEVIDVSOMMADE-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205605115 1100658695 /nfs/dbraw/zinc/65/86/95/1100658695.db2.gz ZDXCKFNAVWULKV-JSGCOSHPSA-N 2 1 311.267 3.256 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000031995240 1081633052 /nfs/dbraw/zinc/63/30/52/1081633052.db2.gz YXWAJMGUQKUHQW-LJQANCHMSA-N 2 1 302.462 3.093 20 0 DGADMP CC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603581 1081635546 /nfs/dbraw/zinc/63/55/46/1081635546.db2.gz FCUDWNIRSWBDAT-SJLPKXTDSA-N 2 1 304.478 3.290 20 0 DGADMP CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603581 1081635547 /nfs/dbraw/zinc/63/55/47/1081635547.db2.gz FCUDWNIRSWBDAT-SJLPKXTDSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603581 1081635551 /nfs/dbraw/zinc/63/55/51/1081635551.db2.gz FCUDWNIRSWBDAT-SJLPKXTDSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208603581 1081635552 /nfs/dbraw/zinc/63/55/52/1081635552.db2.gz FCUDWNIRSWBDAT-SJLPKXTDSA-N 2 1 304.478 3.290 20 0 DGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169811671 1081659120 /nfs/dbraw/zinc/65/91/20/1081659120.db2.gz WHKSIMFRVOIICL-LUNNPTDRSA-N 2 1 323.525 3.092 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206810617 1081695617 /nfs/dbraw/zinc/69/56/17/1081695617.db2.gz PHHUKRQEPOPIRM-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206810617 1081695619 /nfs/dbraw/zinc/69/56/19/1081695619.db2.gz PHHUKRQEPOPIRM-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP CC1(C)CC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC(C)(C)N1O ZINC001169988387 1081785722 /nfs/dbraw/zinc/78/57/22/1081785722.db2.gz SWLATNGNJIGJCL-HNNXBMFYSA-N 2 1 311.514 3.238 20 0 DGADMP CCc1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC001170037954 1081946736 /nfs/dbraw/zinc/94/67/36/1081946736.db2.gz BMPXDWFHDWTQFS-UXHICEINSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC001170037954 1081946741 /nfs/dbraw/zinc/94/67/41/1081946741.db2.gz BMPXDWFHDWTQFS-UXHICEINSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001170037954 1081946746 /nfs/dbraw/zinc/94/67/46/1081946746.db2.gz BMPXDWFHDWTQFS-UXHICEINSA-N 2 1 318.505 3.130 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000075780989 1081961678 /nfs/dbraw/zinc/96/16/78/1081961678.db2.gz FVUQOCHJULEBTR-ZDUSSCGKSA-N 2 1 314.351 3.159 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2F)CCC[C@H]1C[NH3+] ZINC001206036342 1082078714 /nfs/dbraw/zinc/07/87/14/1082078714.db2.gz IRKXLQZVQDPIFL-QWRGUYRKSA-N 2 1 319.346 3.046 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1C[N@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC001170137820 1082180111 /nfs/dbraw/zinc/18/01/11/1082180111.db2.gz PCGHDHZFUQTXMN-CABCVRRESA-N 2 1 304.482 3.072 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1CN([C@H]1CC[C@@H](C)C1)CC2 ZINC001170137820 1082180116 /nfs/dbraw/zinc/18/01/16/1082180116.db2.gz PCGHDHZFUQTXMN-CABCVRRESA-N 2 1 304.482 3.072 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194188 1082304176 /nfs/dbraw/zinc/30/41/76/1082304176.db2.gz MQZCXKICSYGEOB-WNHJNPCNSA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170227397 1082327339 /nfs/dbraw/zinc/32/73/39/1082327339.db2.gz NZLDDFDWYNABFH-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170227397 1082327344 /nfs/dbraw/zinc/32/73/44/1082327344.db2.gz NZLDDFDWYNABFH-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170227397 1082327347 /nfs/dbraw/zinc/32/73/47/1082327347.db2.gz NZLDDFDWYNABFH-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1ccccc1OC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207275327 1082483144 /nfs/dbraw/zinc/48/31/44/1082483144.db2.gz MCUVXDGXGQSIAG-UHFFFAOYSA-N 2 1 304.478 3.426 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@H+](C)CC)CC1 ZINC001170455984 1082485269 /nfs/dbraw/zinc/48/52/69/1082485269.db2.gz LVMPHUCFKVZDIT-MRXNPFEDSA-N 2 1 318.461 3.153 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001170455984 1082485272 /nfs/dbraw/zinc/48/52/72/1082485272.db2.gz LVMPHUCFKVZDIT-MRXNPFEDSA-N 2 1 318.461 3.153 20 0 DGADMP CC(C)[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267085561 1082491195 /nfs/dbraw/zinc/49/11/95/1082491195.db2.gz PODGXHGTWSDEBJ-DLBZAZTESA-N 2 1 323.525 3.066 20 0 DGADMP CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001267141554 1082558693 /nfs/dbraw/zinc/55/86/93/1082558693.db2.gz DULSVLIXYXLWAE-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001170575034 1082697486 /nfs/dbraw/zinc/69/74/86/1082697486.db2.gz WBPRLSRIGQXGKZ-QAPCUYQASA-N 2 1 322.493 3.057 20 0 DGADMP CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140407 1082823679 /nfs/dbraw/zinc/82/36/79/1082823679.db2.gz IFBFYCRZXPYDAK-JKSUJKDBSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140407 1082823682 /nfs/dbraw/zinc/82/36/82/1082823682.db2.gz IFBFYCRZXPYDAK-JKSUJKDBSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140407 1082823685 /nfs/dbraw/zinc/82/36/85/1082823685.db2.gz IFBFYCRZXPYDAK-JKSUJKDBSA-N 2 1 323.525 3.019 20 0 DGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437938 1082910466 /nfs/dbraw/zinc/91/04/66/1082910466.db2.gz ZFHHQDKKKKWJME-ZGKJDNBHSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441387 1082911668 /nfs/dbraw/zinc/91/16/68/1082911668.db2.gz OGNPAPKYIVLGQD-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441387 1082911672 /nfs/dbraw/zinc/91/16/72/1082911672.db2.gz OGNPAPKYIVLGQD-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441387 1082911675 /nfs/dbraw/zinc/91/16/75/1082911675.db2.gz OGNPAPKYIVLGQD-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132517651 1082928115 /nfs/dbraw/zinc/92/81/15/1082928115.db2.gz GFQSVCIPHHQYNF-ICUWKNINSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132517651 1082928118 /nfs/dbraw/zinc/92/81/18/1082928118.db2.gz GFQSVCIPHHQYNF-ICUWKNINSA-N 2 1 323.525 3.042 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170701596 1083174432 /nfs/dbraw/zinc/17/44/32/1083174432.db2.gz QNTVMZAHRSHLSM-MRXNPFEDSA-N 2 1 308.416 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170714320 1083218120 /nfs/dbraw/zinc/21/81/20/1083218120.db2.gz DQGBEBQPVIIVOY-HLLBOEOZSA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170714320 1083218122 /nfs/dbraw/zinc/21/81/22/1083218122.db2.gz DQGBEBQPVIIVOY-HLLBOEOZSA-N 2 1 320.427 3.096 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170750935 1083288939 /nfs/dbraw/zinc/28/89/39/1083288939.db2.gz OIDGUBBVYNAEGP-ZWKOTPCHSA-N 2 1 323.525 3.090 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001207483876 1083479115 /nfs/dbraw/zinc/47/91/15/1083479115.db2.gz IXRJSTJXLAWJKN-IBGZPJMESA-N 3 1 307.526 3.059 20 0 DGADMP CCCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001204305482 1083532386 /nfs/dbraw/zinc/53/23/86/1083532386.db2.gz KODFJVQUNOPILO-UHFFFAOYSA-N 2 1 311.429 3.193 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329276 1083574717 /nfs/dbraw/zinc/57/47/17/1083574717.db2.gz GMGXOIZQABGELV-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329276 1083574731 /nfs/dbraw/zinc/57/47/31/1083574731.db2.gz GMGXOIZQABGELV-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473815 1083630043 /nfs/dbraw/zinc/63/00/43/1083630043.db2.gz CKFJSLYPDQDFAN-ZEVQVBBLSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001273473815 1083630049 /nfs/dbraw/zinc/63/00/49/1083630049.db2.gz CKFJSLYPDQDFAN-ZEVQVBBLSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001273473815 1083630053 /nfs/dbraw/zinc/63/00/53/1083630053.db2.gz CKFJSLYPDQDFAN-ZEVQVBBLSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Br)c2)C1 ZINC001206541489 1083801074 /nfs/dbraw/zinc/80/10/74/1083801074.db2.gz HWYFIYGORKZCHV-OAHLLOKOSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC001206541489 1083801087 /nfs/dbraw/zinc/80/10/87/1083801087.db2.gz HWYFIYGORKZCHV-OAHLLOKOSA-N 2 1 311.267 3.400 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001183279392 1083907077 /nfs/dbraw/zinc/90/70/77/1083907077.db2.gz BNJUPMLMQWUEQJ-RLLQIKCJSA-N 2 1 318.505 3.405 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CC1 ZINC001183464683 1083953532 /nfs/dbraw/zinc/95/35/32/1083953532.db2.gz WGUSHCWBJSGVIN-UHFFFAOYSA-N 3 1 309.542 3.018 20 0 DGADMP CCOCc1noc2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167827020 1084120573 /nfs/dbraw/zinc/12/05/73/1084120573.db2.gz RJYNXUCAEAZDDB-OAHLLOKOSA-N 2 1 323.481 3.080 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001167833439 1084143272 /nfs/dbraw/zinc/14/32/72/1084143272.db2.gz BIKFFVPWYUARDV-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167838728 1084165260 /nfs/dbraw/zinc/16/52/60/1084165260.db2.gz WJAZEWIUZJTXRM-IXDOHACOSA-N 2 1 312.498 3.161 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCc4cccc(Cl)c4C3)[C@H]2C1 ZINC001184387812 1084168508 /nfs/dbraw/zinc/16/85/08/1084168508.db2.gz NQOUOCAYWSJPIR-KPEUIFRASA-N 2 1 304.865 3.127 20 0 DGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001186419680 1084646603 /nfs/dbraw/zinc/64/66/03/1084646603.db2.gz ABPPLMLEYXLANC-XOWYPZSQSA-N 2 1 323.525 3.045 20 0 DGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001186419679 1084646613 /nfs/dbraw/zinc/64/66/13/1084646613.db2.gz ABPPLMLEYXLANC-JHTBKMLMSA-N 2 1 323.525 3.045 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1C ZINC001204727945 1084861972 /nfs/dbraw/zinc/86/19/72/1084861972.db2.gz XRQNZHFBPMEFAP-UHFFFAOYSA-N 2 1 302.462 3.278 20 0 DGADMP COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959948 1085660007 /nfs/dbraw/zinc/66/00/07/1085660007.db2.gz VZUAFHMQYFUCSB-AYHJJNSGSA-N 2 1 300.446 3.190 20 0 DGADMP COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959948 1085660011 /nfs/dbraw/zinc/66/00/11/1085660011.db2.gz VZUAFHMQYFUCSB-AYHJJNSGSA-N 2 1 300.446 3.190 20 0 DGADMP CC(C)[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167975150 1085919793 /nfs/dbraw/zinc/91/97/93/1085919793.db2.gz JFDZWXQNCSOSLM-NAEGJUCDSA-N 3 1 319.537 3.372 20 0 DGADMP CC(C)[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167975150 1085919802 /nfs/dbraw/zinc/91/98/02/1085919802.db2.gz JFDZWXQNCSOSLM-NAEGJUCDSA-N 3 1 319.537 3.372 20 0 DGADMP CC(C)[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167975150 1085919808 /nfs/dbraw/zinc/91/98/08/1085919808.db2.gz JFDZWXQNCSOSLM-NAEGJUCDSA-N 3 1 319.537 3.372 20 0 DGADMP CC(C)[N@@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167975150 1085919817 /nfs/dbraw/zinc/91/98/17/1085919817.db2.gz JFDZWXQNCSOSLM-NAEGJUCDSA-N 2 1 319.537 3.372 20 0 DGADMP CC(C)[N@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167975150 1085919824 /nfs/dbraw/zinc/91/98/24/1085919824.db2.gz JFDZWXQNCSOSLM-NAEGJUCDSA-N 2 1 319.537 3.372 20 0 DGADMP Fc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167977360 1085927775 /nfs/dbraw/zinc/92/77/75/1085927775.db2.gz BLGNPIZPKAVTND-UMQXSMKFSA-N 2 1 314.448 3.288 20 0 DGADMP Cn1ncc2c1cccc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978673 1085929672 /nfs/dbraw/zinc/92/96/72/1085929672.db2.gz QUNFVGNNFUBBKE-AYHJJNSGSA-N 2 1 324.472 3.068 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007489 1086162713 /nfs/dbraw/zinc/16/27/13/1086162713.db2.gz SJBIGWCYKNVNBM-OPVJXMOQSA-N 3 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168007489 1086162719 /nfs/dbraw/zinc/16/27/19/1086162719.db2.gz SJBIGWCYKNVNBM-OPVJXMOQSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H](COC)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031406 1086461779 /nfs/dbraw/zinc/46/17/79/1086461779.db2.gz YZQROKNYYKZNIG-NBMJBFSESA-N 2 1 304.478 3.443 20 0 DGADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033425 1086472862 /nfs/dbraw/zinc/47/28/62/1086472862.db2.gz LMBMFXASXARFNB-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033425 1086472864 /nfs/dbraw/zinc/47/28/64/1086472864.db2.gz LMBMFXASXARFNB-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033425 1086472866 /nfs/dbraw/zinc/47/28/66/1086472866.db2.gz LMBMFXASXARFNB-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP COC[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042072 1086512104 /nfs/dbraw/zinc/51/21/04/1086512104.db2.gz YQAHYOMCPLJYLH-HNJRGHQBSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042072 1086512110 /nfs/dbraw/zinc/51/21/10/1086512110.db2.gz YQAHYOMCPLJYLH-HNJRGHQBSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042072 1086512115 /nfs/dbraw/zinc/51/21/15/1086512115.db2.gz YQAHYOMCPLJYLH-HNJRGHQBSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042072 1086512121 /nfs/dbraw/zinc/51/21/21/1086512121.db2.gz YQAHYOMCPLJYLH-HNJRGHQBSA-N 2 1 316.489 3.396 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2C)C1 ZINC001205008830 1086525382 /nfs/dbraw/zinc/52/53/82/1086525382.db2.gz DTBUVUHSXWFBTK-ZDUSSCGKSA-N 2 1 316.367 3.325 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC3(CSC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056921 1086627509 /nfs/dbraw/zinc/62/75/09/1086627509.db2.gz KBSPWWRLNYCSQI-ALXJQNPVSA-N 2 1 316.514 3.477 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC3(CSC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056921 1086627512 /nfs/dbraw/zinc/62/75/12/1086627512.db2.gz KBSPWWRLNYCSQI-ALXJQNPVSA-N 2 1 316.514 3.477 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCO[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063263 1086647065 /nfs/dbraw/zinc/64/70/65/1086647065.db2.gz MONVAEMXXXSZQZ-HHUCQEJWSA-N 2 1 314.473 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCO[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063263 1086647068 /nfs/dbraw/zinc/64/70/68/1086647068.db2.gz MONVAEMXXXSZQZ-HHUCQEJWSA-N 2 1 314.473 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCO[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063263 1086647073 /nfs/dbraw/zinc/64/70/73/1086647073.db2.gz MONVAEMXXXSZQZ-HHUCQEJWSA-N 2 1 314.473 3.149 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094025 1086857660 /nfs/dbraw/zinc/85/76/60/1086857660.db2.gz RFCPYFHMGSLLAF-UDTPNQRGSA-N 2 1 320.452 3.465 20 0 DGADMP CC[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC001168207792 1087056814 /nfs/dbraw/zinc/05/68/14/1087056814.db2.gz DYDQZTLKLJXVFS-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC001168207792 1087056819 /nfs/dbraw/zinc/05/68/19/1087056819.db2.gz DYDQZTLKLJXVFS-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC001168207792 1087056823 /nfs/dbraw/zinc/05/68/23/1087056823.db2.gz DYDQZTLKLJXVFS-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252234 1087073862 /nfs/dbraw/zinc/07/38/62/1087073862.db2.gz ORDIJTWUZDIFHG-FHWLQOOXSA-N 2 1 314.473 3.144 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(NC3CN(C(C)C)C3)c(C)c2)CC1 ZINC001168312633 1087291112 /nfs/dbraw/zinc/29/11/12/1087291112.db2.gz CVWCBNCHCPVUKI-UHFFFAOYSA-N 2 1 314.477 3.004 20 0 DGADMP CC[N@H+]1CC=C(c2cnc(NC3C[NH+](C(C)C)C3)c(C)c2)CC1 ZINC001168312633 1087291118 /nfs/dbraw/zinc/29/11/18/1087291118.db2.gz CVWCBNCHCPVUKI-UHFFFAOYSA-N 2 1 314.477 3.004 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(NC3C[NH+](C(C)C)C3)c(C)c2)CC1 ZINC001168312633 1087291122 /nfs/dbraw/zinc/29/11/22/1087291122.db2.gz CVWCBNCHCPVUKI-UHFFFAOYSA-N 2 1 314.477 3.004 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323045 1087293714 /nfs/dbraw/zinc/29/37/14/1087293714.db2.gz OKQVVFRYEFQOQX-OFLPRAFFSA-N 2 1 318.461 3.021 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CCC([NH+](C)C)CC1)CCC2 ZINC001168329732 1087296620 /nfs/dbraw/zinc/29/66/20/1087296620.db2.gz FWYYUERUCBFTSV-UHFFFAOYSA-N 2 1 302.462 3.316 20 0 DGADMP C[N@@H+](CCO)CCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168341973 1087301027 /nfs/dbraw/zinc/30/10/27/1087301027.db2.gz WZNRAKCSUJRNIZ-UHFFFAOYSA-N 2 1 324.896 3.270 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC001168352770 1087305544 /nfs/dbraw/zinc/30/55/44/1087305544.db2.gz DHVAKBNXKDENMF-UHFFFAOYSA-N 2 1 313.367 3.064 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2F)no1 ZINC001212144736 1087539400 /nfs/dbraw/zinc/53/94/00/1087539400.db2.gz BNRUHTCKXQYBHA-ZDUSSCGKSA-N 2 1 324.375 3.183 20 0 DGADMP CC[N@H+](Cc1ccc(Br)cc1)CC1CC[NH2+]CC1 ZINC000094011114 1087600119 /nfs/dbraw/zinc/60/01/19/1087600119.db2.gz BSGYXMBVPLKXIJ-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)c12 ZINC001158260179 1087747797 /nfs/dbraw/zinc/74/77/97/1087747797.db2.gz XEMUIDNUOHIYLA-SJKOYZFVSA-N 2 1 301.438 3.222 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](CCCc2ccccc2Br)CC1 ZINC001205094792 1087787158 /nfs/dbraw/zinc/78/71/58/1087787158.db2.gz POKBEFAUZYKWDX-CQSZACIVSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001205094792 1087787173 /nfs/dbraw/zinc/78/71/73/1087787173.db2.gz POKBEFAUZYKWDX-CQSZACIVSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC001205101432 1087870871 /nfs/dbraw/zinc/87/08/71/1087870871.db2.gz FDGUFJATVWXBHQ-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313431 1088217409 /nfs/dbraw/zinc/21/74/09/1088217409.db2.gz QPWFFQDWUOOARK-RKQNLGICSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313431 1088217421 /nfs/dbraw/zinc/21/74/21/1088217421.db2.gz QPWFFQDWUOOARK-RKQNLGICSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313431 1088217434 /nfs/dbraw/zinc/21/74/34/1088217434.db2.gz QPWFFQDWUOOARK-RKQNLGICSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1C ZINC001206647846 1088278830 /nfs/dbraw/zinc/27/88/30/1088278830.db2.gz JZGXKLSYQYYTNB-INIZCTEOSA-N 2 1 305.466 3.130 20 0 DGADMP Fc1ccc(Cl)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1Cl ZINC001235342198 1088317334 /nfs/dbraw/zinc/31/73/34/1088317334.db2.gz UUDTYHODZVOZJG-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP c1cc(Nc2ccc3c[nH+]ccc3c2)cc(N2CC[NH2+]CC2)c1 ZINC001159447479 1088353303 /nfs/dbraw/zinc/35/33/03/1088353303.db2.gz MMTAISKAWROXAB-UHFFFAOYSA-N 2 1 304.397 3.388 20 0 DGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819012 1088373576 /nfs/dbraw/zinc/37/35/76/1088373576.db2.gz KCAWTRQHAUNBLO-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819012 1088373588 /nfs/dbraw/zinc/37/35/88/1088373588.db2.gz KCAWTRQHAUNBLO-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153819012 1088373603 /nfs/dbraw/zinc/37/36/03/1088373603.db2.gz KCAWTRQHAUNBLO-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001235826499 1088414778 /nfs/dbraw/zinc/41/47/78/1088414778.db2.gz YFTDIOUPAVIKIA-UHFFFAOYSA-N 2 1 308.517 3.458 20 0 DGADMP C[N@@H+](Cc1ccccc1Nc1ccncc1C[NH3+])C1CCCCC1 ZINC001159791090 1088484829 /nfs/dbraw/zinc/48/48/29/1088484829.db2.gz JKQHZOMFPYYWFO-UHFFFAOYSA-N 2 1 324.472 3.470 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001236142259 1088640655 /nfs/dbraw/zinc/64/06/55/1088640655.db2.gz UKGOAJUDLDCNLV-UHFFFAOYSA-N 2 1 308.319 3.094 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001155034485 1088909973 /nfs/dbraw/zinc/90/99/73/1088909973.db2.gz WVNUTDQRZQCORN-KGLIPLIRSA-N 2 1 301.438 3.060 20 0 DGADMP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160741104 1088938735 /nfs/dbraw/zinc/93/87/35/1088938735.db2.gz QEJDSHBYWPHFCJ-KGLIPLIRSA-N 2 1 309.335 3.496 20 0 DGADMP COc1ccc2cc[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155117490 1088959336 /nfs/dbraw/zinc/95/93/36/1088959336.db2.gz HBCRSWYQNRKEDC-KRWDZBQOSA-N 2 1 303.381 3.137 20 0 DGADMP COc1cc2[nH+]c(NCc3ccccc3C[NH3+])ccc2c(OC)c1 ZINC001160908432 1089014726 /nfs/dbraw/zinc/01/47/26/1089014726.db2.gz OWAJXDFLDMEWHC-UHFFFAOYSA-N 2 1 323.396 3.323 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484044660 1089123549 /nfs/dbraw/zinc/12/35/49/1089123549.db2.gz URKORVXWJAGARC-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484044660 1089123556 /nfs/dbraw/zinc/12/35/56/1089123556.db2.gz URKORVXWJAGARC-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CCc1cc(NCC2CC[NH+](CC3CCC3)CC2)nc(C)[nH+]1 ZINC001161233910 1089162767 /nfs/dbraw/zinc/16/27/67/1089162767.db2.gz IRDKCQCNYGXQAJ-UHFFFAOYSA-N 2 1 302.466 3.271 20 0 DGADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N[C@H]1C[NH+]2CCC1CC2 ZINC001155668250 1089209371 /nfs/dbraw/zinc/20/93/71/1089209371.db2.gz TXVGWQDMNBHJGN-SFHVURJKSA-N 2 1 322.456 3.341 20 0 DGADMP COCCC1(CNc2[nH+]ccc3c(C)cccc32)CC[NH2+]CC1 ZINC001161503391 1089263416 /nfs/dbraw/zinc/26/34/16/1089263416.db2.gz HTLGZXKYZXWDFI-UHFFFAOYSA-N 2 1 313.445 3.361 20 0 DGADMP COc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001156315180 1089475029 /nfs/dbraw/zinc/47/50/29/1089475029.db2.gz KOKHJUKZICVAAD-QXAKKESOSA-N 2 1 323.440 3.413 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(N)cc[nH+]1 ZINC001156332324 1089481803 /nfs/dbraw/zinc/48/18/03/1089481803.db2.gz JHBQIEUDGQIYSF-YJBOKZPZSA-N 2 1 310.445 3.011 20 0 DGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161952946 1089488242 /nfs/dbraw/zinc/48/82/42/1089488242.db2.gz LRZLNLYQMTVDCR-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161952946 1089488253 /nfs/dbraw/zinc/48/82/53/1089488253.db2.gz LRZLNLYQMTVDCR-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161952946 1089488261 /nfs/dbraw/zinc/48/82/61/1089488261.db2.gz LRZLNLYQMTVDCR-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C[NH+]2CCCC2)cn1 ZINC001156927119 1089748208 /nfs/dbraw/zinc/74/82/08/1089748208.db2.gz AQMXRCNHLWOSTE-QGZVFWFLSA-N 2 1 316.493 3.354 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001162472042 1089750474 /nfs/dbraw/zinc/75/04/74/1089750474.db2.gz TYQNAKSMTFFYGG-QWHCGFSZSA-N 2 1 311.420 3.074 20 0 DGADMP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)nc1NCC1CC1 ZINC001156928983 1089754081 /nfs/dbraw/zinc/75/40/81/1089754081.db2.gz RCQWBZLCXKGPGF-HNNXBMFYSA-N 2 1 317.481 3.283 20 0 DGADMP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)nc1NCC1CC1 ZINC001156928983 1089754095 /nfs/dbraw/zinc/75/40/95/1089754095.db2.gz RCQWBZLCXKGPGF-HNNXBMFYSA-N 2 1 317.481 3.283 20 0 DGADMP COc1cc2cc[nH+]c(NCc3ccc(N)[nH+]c3C)c2cc1OC ZINC001156980657 1089772143 /nfs/dbraw/zinc/77/21/43/1089772143.db2.gz LRSGDINEGRROSD-UHFFFAOYSA-N 2 1 324.384 3.150 20 0 DGADMP Cc1cc(C(F)(F)F)cc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001162572631 1089798436 /nfs/dbraw/zinc/79/84/36/1089798436.db2.gz IHARYHHEQNYLAS-ZDUSSCGKSA-N 2 1 305.319 3.303 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109758 1089826792 /nfs/dbraw/zinc/82/67/92/1089826792.db2.gz VAMWOGJKFBDDGV-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP CCN(c1[nH+]ccc2c1ccn2Cc1ccccc1)C1C[NH+](C)C1 ZINC001157455937 1089976967 /nfs/dbraw/zinc/97/69/67/1089976967.db2.gz GSGPWVLNLLQDGZ-UHFFFAOYSA-N 2 1 320.440 3.225 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH3+])Cc3ccccc32)nc1 ZINC001162847575 1089990485 /nfs/dbraw/zinc/99/04/85/1089990485.db2.gz UDMQSONLASRHMR-QZTJIDSGSA-N 2 1 322.456 3.260 20 0 DGADMP CCc1c[nH]c2ncnc(NC[C@@H]3CCC[N@@H+](CC(C)C)C3)c12 ZINC001162866841 1089997392 /nfs/dbraw/zinc/99/73/92/1089997392.db2.gz CUEJVLZNGSWRED-AWEZNQCLSA-N 2 1 315.465 3.252 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@H+](CC(C)C)C3)c12 ZINC001162866841 1089997404 /nfs/dbraw/zinc/99/74/04/1089997404.db2.gz CUEJVLZNGSWRED-AWEZNQCLSA-N 2 1 315.465 3.252 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@@H+](CC(C)C)C3)c12 ZINC001162866841 1089997418 /nfs/dbraw/zinc/99/74/18/1089997418.db2.gz CUEJVLZNGSWRED-AWEZNQCLSA-N 2 1 315.465 3.252 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]([NH3+])[C@H]2C)nc1 ZINC001157745457 1090095401 /nfs/dbraw/zinc/09/54/01/1090095401.db2.gz ISSYWTBKICKSJS-KBAYOESNSA-N 2 1 316.493 3.335 20 0 DGADMP CC[N@@H+]1CCCN(c2[nH+]c(N3CCCC3)cc3ccccc32)CC1 ZINC001163776140 1090256353 /nfs/dbraw/zinc/25/63/53/1090256353.db2.gz HYQQHMGJHFLIBG-UHFFFAOYSA-N 2 1 324.472 3.367 20 0 DGADMP CC[N@H+]1CCCN(c2[nH+]c(N3CCCC3)cc3ccccc32)CC1 ZINC001163776140 1090256356 /nfs/dbraw/zinc/25/63/56/1090256356.db2.gz HYQQHMGJHFLIBG-UHFFFAOYSA-N 2 1 324.472 3.367 20 0 DGADMP C[NH+](C)C1(CNc2ccc(C(C)(C)C)cc2)CC[NH+](C)CC1 ZINC001164211259 1090372776 /nfs/dbraw/zinc/37/27/76/1090372776.db2.gz MXGVPNJPFYDMJJ-UHFFFAOYSA-N 2 1 303.494 3.422 20 0 DGADMP CCCCc1cccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164216663 1090375130 /nfs/dbraw/zinc/37/51/30/1090375130.db2.gz HILKWJJRPKQUEA-UHFFFAOYSA-N 2 1 303.494 3.467 20 0 DGADMP [NH3+]CC1(c2ccccc2)CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001164435568 1090422527 /nfs/dbraw/zinc/42/25/27/1090422527.db2.gz INZQOROJPSFWAI-UHFFFAOYSA-N 2 1 321.468 3.457 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2C1CCCC1 ZINC001164467819 1090427466 /nfs/dbraw/zinc/42/74/66/1090427466.db2.gz NFPUUBJVNBUXLL-KGLIPLIRSA-N 2 1 313.449 3.110 20 0 DGADMP Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]c1N ZINC001164486484 1090431423 /nfs/dbraw/zinc/43/14/23/1090431423.db2.gz ONIJFDYVRSGUNL-KZNAEPCWSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1c[nH+]c(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1N ZINC001165180893 1090475372 /nfs/dbraw/zinc/47/53/72/1090475372.db2.gz HHSSUPYHAPQVKY-HNAYVOBHSA-N 2 1 324.472 3.319 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000715532373 1090627691 /nfs/dbraw/zinc/62/76/91/1090627691.db2.gz LPOAPPNBHRGEAK-RSPOEFSDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000715532373 1090627696 /nfs/dbraw/zinc/62/76/96/1090627696.db2.gz LPOAPPNBHRGEAK-RSPOEFSDSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1nc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)cc(N(C)C)[nH+]1 ZINC001166649655 1090635540 /nfs/dbraw/zinc/63/55/40/1090635540.db2.gz BIGVVICENIENKT-OAHLLOKOSA-N 2 1 321.428 3.219 20 0 DGADMP NCC[N@H+](Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168676144 1090700016 /nfs/dbraw/zinc/70/00/16/1090700016.db2.gz ITJVWACCAVKSLB-MRXNPFEDSA-N 2 1 300.833 3.268 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC001204088538 1090898247 /nfs/dbraw/zinc/89/82/47/1090898247.db2.gz GFFSCKBSABUASQ-GDLCADMTSA-N 2 1 316.417 3.165 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC001204088538 1090898255 /nfs/dbraw/zinc/89/82/55/1090898255.db2.gz GFFSCKBSABUASQ-GDLCADMTSA-N 2 1 316.417 3.165 20 0 DGADMP Oc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204090056 1090898943 /nfs/dbraw/zinc/89/89/43/1090898943.db2.gz AXSOOJDCEYDSKB-IYBDPMFKSA-N 2 1 314.454 3.018 20 0 DGADMP Oc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001204090056 1090898948 /nfs/dbraw/zinc/89/89/48/1090898948.db2.gz AXSOOJDCEYDSKB-IYBDPMFKSA-N 2 1 314.454 3.018 20 0 DGADMP Oc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001204090056 1090898957 /nfs/dbraw/zinc/89/89/57/1090898957.db2.gz AXSOOJDCEYDSKB-IYBDPMFKSA-N 2 1 314.454 3.018 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC001204119420 1090904983 /nfs/dbraw/zinc/90/49/83/1090904983.db2.gz YUPDGDFZPGUIIR-UHFFFAOYSA-N 2 1 306.450 3.097 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC001204119420 1090904986 /nfs/dbraw/zinc/90/49/86/1090904986.db2.gz YUPDGDFZPGUIIR-UHFFFAOYSA-N 2 1 306.450 3.097 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001204166667 1090911542 /nfs/dbraw/zinc/91/15/42/1090911542.db2.gz RCEUBJMXAVTTDZ-VQTJNVASSA-N 2 1 315.505 3.020 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC001204263539 1090936627 /nfs/dbraw/zinc/93/66/27/1090936627.db2.gz MXDRFPMOKZZZJG-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704167 1090958171 /nfs/dbraw/zinc/95/81/71/1090958171.db2.gz FJDDOGBUXHAYEH-HNNXBMFYSA-N 2 1 304.865 3.401 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001204455029 1090973204 /nfs/dbraw/zinc/97/32/04/1090973204.db2.gz MCNFIGHVEJUDAN-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001205047122 1090979424 /nfs/dbraw/zinc/97/94/24/1090979424.db2.gz OZWJPXVDOZXNSF-UHFFFAOYSA-N 2 1 322.758 3.409 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC001204497082 1090983679 /nfs/dbraw/zinc/98/36/79/1090983679.db2.gz LKKXAKYLNHZYEK-UYAOXDASSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497082 1090983681 /nfs/dbraw/zinc/98/36/81/1090983681.db2.gz LKKXAKYLNHZYEK-UYAOXDASSA-N 2 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497082 1090983686 /nfs/dbraw/zinc/98/36/86/1090983686.db2.gz LKKXAKYLNHZYEK-UYAOXDASSA-N 2 1 321.553 3.305 20 0 DGADMP CS[C@H](C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470435 1090989189 /nfs/dbraw/zinc/98/91/89/1090989189.db2.gz LQFIBNFPZDQQCJ-SJLPKXTDSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@H](C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470435 1090989192 /nfs/dbraw/zinc/98/91/92/1090989192.db2.gz LQFIBNFPZDQQCJ-SJLPKXTDSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@H](C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470435 1090989197 /nfs/dbraw/zinc/98/91/97/1090989197.db2.gz LQFIBNFPZDQQCJ-SJLPKXTDSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@H](C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470435 1090989198 /nfs/dbraw/zinc/98/91/98/1090989198.db2.gz LQFIBNFPZDQQCJ-SJLPKXTDSA-N 2 1 321.534 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC001204737793 1091026543 /nfs/dbraw/zinc/02/65/43/1091026543.db2.gz YSGUODTYHAQTQO-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742794 1091027396 /nfs/dbraw/zinc/02/73/96/1091027396.db2.gz UUSVDMVZRDFVBL-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204749145 1091029381 /nfs/dbraw/zinc/02/93/81/1091029381.db2.gz ZMZRULAFKFDETF-UHFFFAOYSA-N 2 1 306.425 3.108 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CCO1 ZINC001204754874 1091030941 /nfs/dbraw/zinc/03/09/41/1091030941.db2.gz BADFZJAJBJOFHN-IBGZPJMESA-N 2 1 314.404 3.042 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168741832 1091039907 /nfs/dbraw/zinc/03/99/07/1091039907.db2.gz BBHPALITDCCICT-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168741832 1091039914 /nfs/dbraw/zinc/03/99/14/1091039914.db2.gz BBHPALITDCCICT-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168741832 1091039921 /nfs/dbraw/zinc/03/99/21/1091039921.db2.gz BBHPALITDCCICT-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001205001696 1091080141 /nfs/dbraw/zinc/08/01/41/1091080141.db2.gz WMAJACBXAVBCLO-GFCCVEGCSA-N 2 1 301.261 3.467 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001204863486 1091050767 /nfs/dbraw/zinc/05/07/67/1091050767.db2.gz IRXGJAAUUVGVNB-IBGZPJMESA-N 2 1 322.452 3.330 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918878 1091063057 /nfs/dbraw/zinc/06/30/57/1091063057.db2.gz OOGWBEJJAJBRLQ-AXUOBQJMSA-N 2 1 300.490 3.299 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3cccnc3s1)CC2 ZINC001276478156 1091074325 /nfs/dbraw/zinc/07/43/25/1091074325.db2.gz OSOAIBCFKHPMKL-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001205001696 1091080135 /nfs/dbraw/zinc/08/01/35/1091080135.db2.gz WMAJACBXAVBCLO-GFCCVEGCSA-N 2 1 301.261 3.467 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001205009284 1091083262 /nfs/dbraw/zinc/08/32/62/1091083262.db2.gz MHBYNYPTUWIEGR-CYBMUJFWSA-N 2 1 316.367 3.325 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001205009284 1091083265 /nfs/dbraw/zinc/08/32/65/1091083265.db2.gz MHBYNYPTUWIEGR-CYBMUJFWSA-N 2 1 316.367 3.325 20 0 DGADMP COc1ccc(F)c(C(F)(F)F)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047053 1091090521 /nfs/dbraw/zinc/09/05/21/1091090521.db2.gz NSORBXUJVBPDGA-UHFFFAOYSA-N 2 1 320.330 3.024 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094855 1091100883 /nfs/dbraw/zinc/10/08/83/1091100883.db2.gz RGPAZEBPIOUEGE-ZWKOTPCHSA-N 2 1 308.510 3.467 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c2c(OC)cccc12 ZINC001205102230 1091103254 /nfs/dbraw/zinc/10/32/54/1091103254.db2.gz QHNWRRQTQWFVBP-HNNXBMFYSA-N 2 1 314.429 3.170 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001205123931 1091107861 /nfs/dbraw/zinc/10/78/61/1091107861.db2.gz HMPRQKRFDNSGMD-AWEZNQCLSA-N 2 1 305.809 3.308 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001205123931 1091107866 /nfs/dbraw/zinc/10/78/66/1091107866.db2.gz HMPRQKRFDNSGMD-AWEZNQCLSA-N 2 1 305.809 3.308 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@H]1C[NH3+] ZINC001205151121 1091113819 /nfs/dbraw/zinc/11/38/19/1091113819.db2.gz PJRYWEZHFDIIPE-GXTWGEPZSA-N 2 1 317.383 3.053 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2ccc(Br)cc12 ZINC001138315387 1091138652 /nfs/dbraw/zinc/13/86/52/1091138652.db2.gz DUCSNBBSTQREQT-UHFFFAOYSA-N 2 1 324.266 3.314 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2ccc(Br)cc12 ZINC001138315387 1091138655 /nfs/dbraw/zinc/13/86/55/1091138655.db2.gz DUCSNBBSTQREQT-UHFFFAOYSA-N 2 1 324.266 3.314 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264794 1091155227 /nfs/dbraw/zinc/15/52/27/1091155227.db2.gz MOJCMNSPDHCTMA-LJQANCHMSA-N 2 1 312.461 3.192 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Br ZINC001205274114 1091160001 /nfs/dbraw/zinc/16/00/01/1091160001.db2.gz UHFSNARHEBUVGF-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Br ZINC001205274114 1091160003 /nfs/dbraw/zinc/16/00/03/1091160003.db2.gz UHFSNARHEBUVGF-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001205280750 1091162682 /nfs/dbraw/zinc/16/26/82/1091162682.db2.gz HVDMCBNBNTVBGV-QGZVFWFLSA-N 2 1 318.852 3.229 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001205287955 1091165943 /nfs/dbraw/zinc/16/59/43/1091165943.db2.gz FFWTZMJWRQKAHE-QGZVFWFLSA-N 2 1 318.852 3.229 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc21 ZINC001205288610 1091166093 /nfs/dbraw/zinc/16/60/93/1091166093.db2.gz MCNJONVLNPZIQF-HXUWFJFHSA-N 3 1 313.489 3.391 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205296092 1091169221 /nfs/dbraw/zinc/16/92/21/1091169221.db2.gz GRAJUKDKLIRCAT-DLBZAZTESA-N 2 1 312.498 3.197 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303505 1091172542 /nfs/dbraw/zinc/17/25/42/1091172542.db2.gz GPSVBJIFXXFVJZ-JQWIXIFHSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303505 1091172550 /nfs/dbraw/zinc/17/25/50/1091172550.db2.gz GPSVBJIFXXFVJZ-JQWIXIFHSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC001205304291 1091174368 /nfs/dbraw/zinc/17/43/68/1091174368.db2.gz NOKBYFBATVAYIH-PBHICJAKSA-N 2 1 318.461 3.059 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C[C@H]1C[NH3+] ZINC001205315392 1091180181 /nfs/dbraw/zinc/18/01/81/1091180181.db2.gz FWTXALAFEGLXCP-UKRRQHHQSA-N 2 1 301.409 3.238 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1CCCc1cccc(Br)c1 ZINC001205324538 1091185302 /nfs/dbraw/zinc/18/53/02/1091185302.db2.gz DCEWGXYNRYZQIT-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001205332348 1091190113 /nfs/dbraw/zinc/19/01/13/1091190113.db2.gz PENHKODHNYFWGC-KRWDZBQOSA-N 2 1 310.441 3.449 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001205332348 1091190119 /nfs/dbraw/zinc/19/01/19/1091190119.db2.gz PENHKODHNYFWGC-KRWDZBQOSA-N 2 1 310.441 3.449 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001205405107 1091213597 /nfs/dbraw/zinc/21/35/97/1091213597.db2.gz CUICUOQTDSRPAI-QZTJIDSGSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001205405107 1091213604 /nfs/dbraw/zinc/21/36/04/1091213604.db2.gz CUICUOQTDSRPAI-QZTJIDSGSA-N 2 1 304.478 3.017 20 0 DGADMP CC[N@H+](C)C1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138550536 1091224145 /nfs/dbraw/zinc/22/41/45/1091224145.db2.gz WCGSIHNZAGHLPQ-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CC[N@@H+](C)C1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138550536 1091224150 /nfs/dbraw/zinc/22/41/50/1091224150.db2.gz WCGSIHNZAGHLPQ-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001205545330 1091248350 /nfs/dbraw/zinc/24/83/50/1091248350.db2.gz DIEUKAFBOVRLSA-QGZVFWFLSA-N 2 1 321.371 3.134 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c2c1 ZINC001205558024 1091250989 /nfs/dbraw/zinc/25/09/89/1091250989.db2.gz APPYUTOSEUVINE-SFHVURJKSA-N 2 1 319.424 3.220 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001205558007 1091251493 /nfs/dbraw/zinc/25/14/93/1091251493.db2.gz AHGLSAAOQQWVLS-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559485 1091252829 /nfs/dbraw/zinc/25/28/29/1091252829.db2.gz RQTJPMIOHDNVJF-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Cl ZINC001205559042 1091253574 /nfs/dbraw/zinc/25/35/74/1091253574.db2.gz NHTFRNPKHKJLOS-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001205569936 1091257744 /nfs/dbraw/zinc/25/77/44/1091257744.db2.gz ARMAYXCZPFRSII-GOSISDBHSA-N 2 1 301.409 3.130 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570744 1091260266 /nfs/dbraw/zinc/26/02/66/1091260266.db2.gz NXZUSZXRZQZZMT-AWEZNQCLSA-N 2 1 319.346 3.062 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001205570090 1091260495 /nfs/dbraw/zinc/26/04/95/1091260495.db2.gz FPUVVOIWUFTAJX-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001205570090 1091260498 /nfs/dbraw/zinc/26/04/98/1091260498.db2.gz FPUVVOIWUFTAJX-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2-n2cccc2)CC1 ZINC001205578407 1091262880 /nfs/dbraw/zinc/26/28/80/1091262880.db2.gz BATLOUQVUKIKAL-SFHVURJKSA-N 2 1 301.409 3.130 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1cccn1-c1ccccc1F ZINC001138636432 1091268607 /nfs/dbraw/zinc/26/86/07/1091268607.db2.gz LSLTVZDOUIASHN-UHFFFAOYSA-N 2 1 312.392 3.335 20 0 DGADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205592111 1091270048 /nfs/dbraw/zinc/27/00/48/1091270048.db2.gz RDIMUFBHCNWNMC-OAHLLOKOSA-N 2 1 302.796 3.440 20 0 DGADMP C[C@H]1CC[N@@H+](CC2(c3ccccc3)CCOCC2)CC[C@@H]1C[NH3+] ZINC001205602537 1091273578 /nfs/dbraw/zinc/27/35/78/1091273578.db2.gz JHAATJKTMZJVRS-ZWKOTPCHSA-N 2 1 316.489 3.042 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205601918 1091273973 /nfs/dbraw/zinc/27/39/73/1091273973.db2.gz GSAZQKYAQGYUDK-GXTWGEPZSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205605273 1091275613 /nfs/dbraw/zinc/27/56/13/1091275613.db2.gz ZRLWKDRIRGJVBE-TZMCWYRMSA-N 2 1 316.367 3.392 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205617643 1091281359 /nfs/dbraw/zinc/28/13/59/1091281359.db2.gz LYEFDUBTROHRDP-GOEBONIOSA-N 2 1 313.445 3.050 20 0 DGADMP Cc1[nH+]c(-c2ccc(CC[NH+]3CCOCC3)cc2)cc2[nH]ccc21 ZINC001205621079 1091284615 /nfs/dbraw/zinc/28/46/15/1091284615.db2.gz QFVMYBOJELEYCF-UHFFFAOYSA-N 2 1 321.424 3.413 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)ccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205618947 1091284759 /nfs/dbraw/zinc/28/47/59/1091284759.db2.gz ZNSNTGKXTRIINY-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205627194 1091285991 /nfs/dbraw/zinc/28/59/91/1091285991.db2.gz NSTVFKKTZGBVOQ-NWDGAFQWSA-N 2 1 316.367 3.218 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205627193 1091286164 /nfs/dbraw/zinc/28/61/64/1091286164.db2.gz NSTVFKKTZGBVOQ-NEPJUHHUSA-N 2 1 316.367 3.218 20 0 DGADMP CCOc1c(F)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1F ZINC001205629488 1091287850 /nfs/dbraw/zinc/28/78/50/1091287850.db2.gz ZGKRWMXICXAEAE-JSGCOSHPSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205635437 1091289783 /nfs/dbraw/zinc/28/97/83/1091289783.db2.gz AMESEDODHIJXPA-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP Cc1nc2cc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)ccc2s1 ZINC001205638875 1091291703 /nfs/dbraw/zinc/29/17/03/1091291703.db2.gz SSDBQIGZFHZXTB-WFASDCNBSA-N 2 1 303.475 3.412 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccsc2Br)CC[C@H]1C[NH3+] ZINC001205638978 1091292030 /nfs/dbraw/zinc/29/20/30/1091292030.db2.gz UDZVYSARYMSAPR-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC(C)C)c1 ZINC001205639526 1091293319 /nfs/dbraw/zinc/29/33/19/1091293319.db2.gz ZTKHVCKEEFZDGG-JKSUJKDBSA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651303 1091296025 /nfs/dbraw/zinc/29/60/25/1091296025.db2.gz CHTRPIKYVUDEKQ-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205654542 1091298387 /nfs/dbraw/zinc/29/83/87/1091298387.db2.gz XCUWIBIDEFBLJB-CRAIPNDOSA-N 2 1 319.493 3.376 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205653272 1091298405 /nfs/dbraw/zinc/29/84/05/1091298405.db2.gz SJPBOUONOAQQIW-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP CC(C)Oc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1F ZINC001205652046 1091298524 /nfs/dbraw/zinc/29/85/24/1091298524.db2.gz NQHFBUPBHUZSAK-HOCLYGCPSA-N 2 1 308.441 3.420 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205688581 1091314528 /nfs/dbraw/zinc/31/45/28/1091314528.db2.gz JFWVCTCDXGDNPN-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP COCC[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772519 1091324856 /nfs/dbraw/zinc/32/48/56/1091324856.db2.gz NYQZVTVTURTJLO-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001205735524 1091325278 /nfs/dbraw/zinc/32/52/78/1091325278.db2.gz NDMDWPGEKMAUIJ-FQEVSTJZSA-N 2 1 316.489 3.410 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2-c2cccnc2)CCC1(F)F ZINC001205771239 1091340754 /nfs/dbraw/zinc/34/07/54/1091340754.db2.gz SPNGQJOKVIWWCL-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2-c2cccnc2)CCC1(F)F ZINC001205771239 1091340763 /nfs/dbraw/zinc/34/07/63/1091340763.db2.gz SPNGQJOKVIWWCL-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1ccc(Br)cc1 ZINC001205058846 1091377148 /nfs/dbraw/zinc/37/71/48/1091377148.db2.gz VZHDBRUVXSUKOT-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccc(Br)cc1 ZINC001205058846 1091377156 /nfs/dbraw/zinc/37/71/56/1091377156.db2.gz VZHDBRUVXSUKOT-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP CCCCOc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001138957203 1091391879 /nfs/dbraw/zinc/39/18/79/1091391879.db2.gz XGVHBGPBNXKSAP-MSOLQXFVSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1cccc(CN2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)c1 ZINC001138958048 1091392302 /nfs/dbraw/zinc/39/23/02/1091392302.db2.gz SMZBGOKRHIYPAR-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1cccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)c1 ZINC001138958048 1091392311 /nfs/dbraw/zinc/39/23/11/1091392311.db2.gz SMZBGOKRHIYPAR-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)c1 ZINC001138958048 1091392324 /nfs/dbraw/zinc/39/23/24/1091392324.db2.gz SMZBGOKRHIYPAR-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)c1 ZINC001138958048 1091392335 /nfs/dbraw/zinc/39/23/35/1091392335.db2.gz SMZBGOKRHIYPAR-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1cccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)c1 ZINC001138958048 1091392347 /nfs/dbraw/zinc/39/23/47/1091392347.db2.gz SMZBGOKRHIYPAR-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccc(Br)cc1 ZINC001205902215 1091399189 /nfs/dbraw/zinc/39/91/89/1091399189.db2.gz IXPKSSQSZWOOFY-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205901025 1091399463 /nfs/dbraw/zinc/39/94/63/1091399463.db2.gz APWULAZDXFETER-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205901025 1091399472 /nfs/dbraw/zinc/39/94/72/1091399472.db2.gz APWULAZDXFETER-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205912785 1091406698 /nfs/dbraw/zinc/40/66/98/1091406698.db2.gz CIDBJSQZXHNYTP-HOCLYGCPSA-N 2 1 313.420 3.447 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(C(F)(F)F)c1 ZINC001205912834 1091408082 /nfs/dbraw/zinc/40/80/82/1091408082.db2.gz CXTBMIBZCFRMPU-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(C(F)(F)F)c1 ZINC001205912834 1091408086 /nfs/dbraw/zinc/40/80/86/1091408086.db2.gz CXTBMIBZCFRMPU-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205914432 1091410021 /nfs/dbraw/zinc/41/00/21/1091410021.db2.gz LWDXJVSDMTTXQP-YOEHRIQHSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914485 1091410274 /nfs/dbraw/zinc/41/02/74/1091410274.db2.gz MJWVMJLMRMKKMI-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914485 1091410279 /nfs/dbraw/zinc/41/02/79/1091410279.db2.gz MJWVMJLMRMKKMI-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205916152 1091411516 /nfs/dbraw/zinc/41/15/16/1091411516.db2.gz SAZCKEKMDNEJHE-RHSMWYFYSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205916151 1091412116 /nfs/dbraw/zinc/41/21/16/1091412116.db2.gz SAZCKEKMDNEJHE-PBHICJAKSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205916154 1091412137 /nfs/dbraw/zinc/41/21/37/1091412137.db2.gz SAZCKEKMDNEJHE-YOEHRIQHSA-N 2 1 313.420 3.447 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC001139063582 1091434269 /nfs/dbraw/zinc/43/42/69/1091434269.db2.gz XPPACMXJLWBMBU-UHFFFAOYSA-N 2 1 313.401 3.063 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CCC[C@@H]1C[NH3+] ZINC001205992066 1091439749 /nfs/dbraw/zinc/43/97/49/1091439749.db2.gz DFJWTIISRVEHSC-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205995169 1091440874 /nfs/dbraw/zinc/44/08/74/1091440874.db2.gz NGNTXBWVGYLZAK-OCCSQVGLSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206002817 1091443140 /nfs/dbraw/zinc/44/31/40/1091443140.db2.gz BOQNYFVVRIQCTJ-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2sccc2Br)CCC[C@H]1C[NH3+] ZINC001206005836 1091445402 /nfs/dbraw/zinc/44/54/02/1091445402.db2.gz YZYNHEKEDOZGBL-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004547 1091445434 /nfs/dbraw/zinc/44/54/34/1091445434.db2.gz SZLGQJUJUBVULA-YPMHNXCESA-N 2 1 315.383 3.216 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206012003 1091449247 /nfs/dbraw/zinc/44/92/47/1091449247.db2.gz HXMPGGIAHFQBBY-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206012341 1091449456 /nfs/dbraw/zinc/44/94/56/1091449456.db2.gz KRPDLLJLCPEYDN-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206012002 1091450096 /nfs/dbraw/zinc/45/00/96/1091450096.db2.gz HXMPGGIAHFQBBY-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206028286 1091456716 /nfs/dbraw/zinc/45/67/16/1091456716.db2.gz XZUHJKHWFKKXRA-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206025861 1091457412 /nfs/dbraw/zinc/45/74/12/1091457412.db2.gz POUXFVTZJOAMDD-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001206026007 1091457735 /nfs/dbraw/zinc/45/77/35/1091457735.db2.gz QLFZLYQRPRIIKE-SJLPKXTDSA-N 2 1 316.489 3.387 20 0 DGADMP COc1cc(O)ccc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001139143793 1091462884 /nfs/dbraw/zinc/46/28/84/1091462884.db2.gz ZFGJTVOQXDHPQQ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001139143793 1091462890 /nfs/dbraw/zinc/46/28/90/1091462890.db2.gz ZFGJTVOQXDHPQQ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)ccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001139143793 1091462897 /nfs/dbraw/zinc/46/28/97/1091462897.db2.gz ZFGJTVOQXDHPQQ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001139143793 1091462904 /nfs/dbraw/zinc/46/29/04/1091462904.db2.gz ZFGJTVOQXDHPQQ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001139143793 1091462910 /nfs/dbraw/zinc/46/29/10/1091462910.db2.gz ZFGJTVOQXDHPQQ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC001206037500 1091463306 /nfs/dbraw/zinc/46/33/06/1091463306.db2.gz VTRKFHRIISLILD-HOCLYGCPSA-N 2 1 308.441 3.420 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206037879 1091463814 /nfs/dbraw/zinc/46/38/14/1091463814.db2.gz YYPZXLAAUHEWQQ-DGCLKSJQSA-N 2 1 315.383 3.216 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206037878 1091463988 /nfs/dbraw/zinc/46/39/88/1091463988.db2.gz YYPZXLAAUHEWQQ-AAEUAGOBSA-N 2 1 315.383 3.216 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206035756 1091464031 /nfs/dbraw/zinc/46/40/31/1091464031.db2.gz DLMWGNJXODZXCT-STQMWFEESA-N 2 1 320.868 3.034 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001206049960 1091469129 /nfs/dbraw/zinc/46/91/29/1091469129.db2.gz VZOVXTWQORXQNF-DAXOMENPSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001206049960 1091469132 /nfs/dbraw/zinc/46/91/32/1091469132.db2.gz VZOVXTWQORXQNF-DAXOMENPSA-N 2 1 312.379 3.453 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001139179256 1091477171 /nfs/dbraw/zinc/47/71/71/1091477171.db2.gz MTPIMQYSHTVVTL-UHFFFAOYSA-N 2 1 324.900 3.323 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001139179256 1091477175 /nfs/dbraw/zinc/47/71/75/1091477175.db2.gz MTPIMQYSHTVVTL-UHFFFAOYSA-N 2 1 324.900 3.323 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2nonc2c1 ZINC001139222839 1091494020 /nfs/dbraw/zinc/49/40/20/1091494020.db2.gz WDLZKCJPOCVYDG-HOTGVXAUSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2nonc2c1 ZINC001139222839 1091494026 /nfs/dbraw/zinc/49/40/26/1091494026.db2.gz WDLZKCJPOCVYDG-HOTGVXAUSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2nonc2c1 ZINC001139222839 1091494033 /nfs/dbraw/zinc/49/40/33/1091494033.db2.gz WDLZKCJPOCVYDG-HOTGVXAUSA-N 2 1 314.433 3.062 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156669 1091512915 /nfs/dbraw/zinc/51/29/15/1091512915.db2.gz RTAJQTDUJMCGMJ-XHSDSOJGSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156669 1091512921 /nfs/dbraw/zinc/51/29/21/1091512921.db2.gz RTAJQTDUJMCGMJ-XHSDSOJGSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156669 1091512927 /nfs/dbraw/zinc/51/29/27/1091512927.db2.gz RTAJQTDUJMCGMJ-XHSDSOJGSA-N 2 1 302.478 3.369 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@H]1F ZINC001206174001 1091520401 /nfs/dbraw/zinc/52/04/01/1091520401.db2.gz LFNALYMXSDKNBG-CABCVRRESA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@H]1F ZINC001206174001 1091520407 /nfs/dbraw/zinc/52/04/07/1091520407.db2.gz LFNALYMXSDKNBG-CABCVRRESA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[C@H]1F ZINC001206173162 1091520546 /nfs/dbraw/zinc/52/05/46/1091520546.db2.gz FMTWWGSVABHIFQ-SJORKVTESA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206172910 1091521173 /nfs/dbraw/zinc/52/11/73/1091521173.db2.gz CLKZYONYJQNZBY-SJORKVTESA-N 2 1 321.827 3.392 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206172910 1091521178 /nfs/dbraw/zinc/52/11/78/1091521178.db2.gz CLKZYONYJQNZBY-SJORKVTESA-N 2 1 321.827 3.392 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4cc(O)ccc4c3)C2)CC1 ZINC001139339367 1091522447 /nfs/dbraw/zinc/52/24/47/1091522447.db2.gz VHFPFWKQMPJGQS-UHFFFAOYSA-N 2 1 310.441 3.463 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)CC[C@@H]1F ZINC001206175653 1091523179 /nfs/dbraw/zinc/52/31/79/1091523179.db2.gz WRQICFZSTUACSF-LSDHHAIUSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CC[C@@H]1F ZINC001206195951 1091530724 /nfs/dbraw/zinc/53/07/24/1091530724.db2.gz AEONHNWTKKWAJP-ROUUACIJSA-N 2 1 315.392 3.135 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cnc1-c1ccccc1 ZINC001206211042 1091538400 /nfs/dbraw/zinc/53/84/00/1091538400.db2.gz MKMDXZCMHWGYFQ-ROUUACIJSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cnc1-c1ccccc1 ZINC001206211042 1091538407 /nfs/dbraw/zinc/53/84/07/1091538407.db2.gz MKMDXZCMHWGYFQ-ROUUACIJSA-N 2 1 313.420 3.318 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1OC ZINC001206304732 1091571780 /nfs/dbraw/zinc/57/17/80/1091571780.db2.gz OSYBOEUCWZPWIM-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001206312046 1091572932 /nfs/dbraw/zinc/57/29/32/1091572932.db2.gz YJCNVNNNXBVUDE-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206310747 1091573708 /nfs/dbraw/zinc/57/37/08/1091573708.db2.gz BLWKFGFRNHKYTF-QGZVFWFLSA-N 2 1 312.404 3.314 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-c2cncnc2)CC1 ZINC001206311086 1091574055 /nfs/dbraw/zinc/57/40/55/1091574055.db2.gz IJWBMBIZHUUIPM-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206317044 1091575917 /nfs/dbraw/zinc/57/59/17/1091575917.db2.gz BPRAWFXBXGYICP-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001206318202 1091577033 /nfs/dbraw/zinc/57/70/33/1091577033.db2.gz NNZLJJSEUGLHIS-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001206324357 1091579651 /nfs/dbraw/zinc/57/96/51/1091579651.db2.gz AHDRTOQOAQKTSC-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(F)c(F)c2F)CC1 ZINC001206325745 1091581403 /nfs/dbraw/zinc/58/14/03/1091581403.db2.gz IRYIFRWWGVHKOR-OAHLLOKOSA-N 2 1 304.331 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(F)c(F)c2F)CC1 ZINC001206325745 1091581410 /nfs/dbraw/zinc/58/14/10/1091581410.db2.gz IRYIFRWWGVHKOR-OAHLLOKOSA-N 2 1 304.331 3.194 20 0 DGADMP NC[C@]1(F)CCCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206335489 1091583574 /nfs/dbraw/zinc/58/35/74/1091583574.db2.gz FGJCMRMCKPLLMY-LJQANCHMSA-N 2 1 319.468 3.056 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206335489 1091583585 /nfs/dbraw/zinc/58/35/85/1091583585.db2.gz FGJCMRMCKPLLMY-LJQANCHMSA-N 2 1 319.468 3.056 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206335489 1091583595 /nfs/dbraw/zinc/58/35/95/1091583595.db2.gz FGJCMRMCKPLLMY-LJQANCHMSA-N 2 1 319.468 3.056 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)cn1 ZINC001206336755 1091585358 /nfs/dbraw/zinc/58/53/58/1091585358.db2.gz OPZIIGACQZVCTG-INIZCTEOSA-N 2 1 311.857 3.085 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001206352608 1091592899 /nfs/dbraw/zinc/59/28/99/1091592899.db2.gz YXTZHIUKYWOEKO-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001206352608 1091592906 /nfs/dbraw/zinc/59/29/06/1091592906.db2.gz YXTZHIUKYWOEKO-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP Cc1ccnc2cccc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)c12 ZINC001206371362 1091603449 /nfs/dbraw/zinc/60/34/49/1091603449.db2.gz UCDOPINNQZFGPP-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccnc2cccc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c12 ZINC001206371362 1091603452 /nfs/dbraw/zinc/60/34/52/1091603452.db2.gz UCDOPINNQZFGPP-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCC)c(CC)c3)C[C@H]2C1 ZINC001139625196 1091626194 /nfs/dbraw/zinc/62/61/94/1091626194.db2.gz BKRYKZADDVZTRX-RTBURBONSA-N 2 1 316.489 3.421 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001206431177 1091628255 /nfs/dbraw/zinc/62/82/55/1091628255.db2.gz ZXWJVXUITCHJMI-DOTOQJQBSA-N 2 1 324.509 3.018 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001206431180 1091628849 /nfs/dbraw/zinc/62/88/49/1091628849.db2.gz ZXWJVXUITCHJMI-WBVHZDCISA-N 2 1 324.509 3.018 20 0 DGADMP CCC1(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC001202962672 1091650279 /nfs/dbraw/zinc/65/02/79/1091650279.db2.gz MSFOCJWTFQARDY-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC2(c3ccccc3)CCOCC2)C1 ZINC001206541949 1091661544 /nfs/dbraw/zinc/66/15/44/1091661544.db2.gz ODCUOSRPFZCKLB-LJQANCHMSA-N 2 1 316.489 3.186 20 0 DGADMP COc1ccc2c(c1)c(C[N@H+]1CCCC[C@](C)(C[NH3+])C1)cn2C ZINC001206548150 1091665419 /nfs/dbraw/zinc/66/54/19/1091665419.db2.gz HPUIYNHELFGQRW-LJQANCHMSA-N 2 1 315.461 3.138 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001206549796 1091665524 /nfs/dbraw/zinc/66/55/24/1091665524.db2.gz PVZNQIMRANNSHA-MRXNPFEDSA-N 2 1 306.841 3.119 20 0 DGADMP COc1ccc(CCC[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206583001 1091678287 /nfs/dbraw/zinc/67/82/87/1091678287.db2.gz RMOJCJJIXDCPKN-SFHVURJKSA-N 2 1 304.478 3.480 20 0 DGADMP CCOc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC001206583754 1091678374 /nfs/dbraw/zinc/67/83/74/1091678374.db2.gz WEYGPKAEOSMDAQ-KRWDZBQOSA-N 2 1 320.477 3.446 20 0 DGADMP CC(C)[N@H+](C[C@H](C)OCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001206583747 1091678396 /nfs/dbraw/zinc/67/83/96/1091678396.db2.gz WCISYZJPOFKEBT-PKOBYXMFSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)[N@@H+](Cc1cccc(-c2cc[nH]n2)c1)[C@H]1CCC[NH2+]CC1 ZINC001206597367 1091684052 /nfs/dbraw/zinc/68/40/52/1091684052.db2.gz BDRYJFRLISMUDG-SFHVURJKSA-N 2 1 312.461 3.429 20 0 DGADMP CC(C)[N@@H+](Cc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206597366 1091684270 /nfs/dbraw/zinc/68/42/70/1091684270.db2.gz BDRYJFRLISMUDG-GOSISDBHSA-N 2 1 312.461 3.429 20 0 DGADMP CCOc1ncc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1C ZINC001206598489 1091684832 /nfs/dbraw/zinc/68/48/32/1091684832.db2.gz KUGVVPCWLVUQIK-KRWDZBQOSA-N 2 1 305.466 3.141 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001206606819 1091687706 /nfs/dbraw/zinc/68/77/06/1091687706.db2.gz TUSNJRJIUCFMAU-CQSZACIVSA-N 2 1 311.267 3.052 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Oc3ccccc3)nc2)C1 ZINC001206622778 1091693041 /nfs/dbraw/zinc/69/30/41/1091693041.db2.gz GSCLIUTUFOOERX-INIZCTEOSA-N 2 1 311.429 3.435 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C1 ZINC001206622778 1091693049 /nfs/dbraw/zinc/69/30/49/1091693049.db2.gz GSCLIUTUFOOERX-INIZCTEOSA-N 2 1 311.429 3.435 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(Cl)ncc3ccccc32)C1 ZINC001206623116 1091693724 /nfs/dbraw/zinc/69/37/24/1091693724.db2.gz JGSCKFRFFMSMHY-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])CN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001206761147 1091728509 /nfs/dbraw/zinc/72/85/09/1091728509.db2.gz USXJIQSLZXWKCT-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770961 1091733837 /nfs/dbraw/zinc/73/38/37/1091733837.db2.gz VHMVEFBBZGKHQS-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770961 1091733840 /nfs/dbraw/zinc/73/38/40/1091733840.db2.gz VHMVEFBBZGKHQS-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-c1cncnc1 ZINC001140023928 1091742193 /nfs/dbraw/zinc/74/21/93/1091742193.db2.gz QTZKVPHLIJUGFU-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001140028400 1091743204 /nfs/dbraw/zinc/74/32/04/1091743204.db2.gz VCNWYWNILXRPJC-IBGZPJMESA-N 2 1 319.412 3.308 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001140028400 1091743209 /nfs/dbraw/zinc/74/32/09/1091743209.db2.gz VCNWYWNILXRPJC-IBGZPJMESA-N 2 1 319.412 3.308 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(C[C@@H]1CCC[NH+](C)C1)C2 ZINC001276496441 1091757778 /nfs/dbraw/zinc/75/77/78/1091757778.db2.gz BZVXAUMTSXCUTL-RTBURBONSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CCC12CN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001276496441 1091757782 /nfs/dbraw/zinc/75/77/82/1091757782.db2.gz BZVXAUMTSXCUTL-RTBURBONSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CCC12CN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001276496441 1091757791 /nfs/dbraw/zinc/75/77/91/1091757791.db2.gz BZVXAUMTSXCUTL-RTBURBONSA-N 2 1 321.553 3.305 20 0 DGADMP c1ccc(-c2cccnc2)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001140319910 1091823423 /nfs/dbraw/zinc/82/34/23/1091823423.db2.gz TYWMVYWLHPOAHN-UHFFFAOYSA-N 2 1 307.441 3.419 20 0 DGADMP CC(C)[N@@H+](Cc1cnc2ccc(Cl)cn12)C1CCN(C)CC1 ZINC001140433512 1091864846 /nfs/dbraw/zinc/86/48/46/1091864846.db2.gz FUCVSAOQIACBNE-UHFFFAOYSA-N 2 1 320.868 3.292 20 0 DGADMP CC(C)N(Cc1cnc2ccc(Cl)cn12)C1CC[NH+](C)CC1 ZINC001140433512 1091864853 /nfs/dbraw/zinc/86/48/53/1091864853.db2.gz FUCVSAOQIACBNE-UHFFFAOYSA-N 2 1 320.868 3.292 20 0 DGADMP CC1=CC[C@H](CC[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1(C)C ZINC001207270798 1091903653 /nfs/dbraw/zinc/90/36/53/1091903653.db2.gz BSMDEJXCILORBI-MRXNPFEDSA-N 2 1 319.493 3.499 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207292145 1091913608 /nfs/dbraw/zinc/91/36/08/1091913608.db2.gz LDJVTHKQYOQWKX-PMACEKPBSA-N 2 1 314.473 3.152 20 0 DGADMP CC[C@@H]1COCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292557 1091914002 /nfs/dbraw/zinc/91/40/02/1091914002.db2.gz UJJCYWADYIMVBR-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001207292107 1091914555 /nfs/dbraw/zinc/91/45/55/1091914555.db2.gz JMTOOZYSEUSNSC-UXHICEINSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001207291893 1091914628 /nfs/dbraw/zinc/91/46/28/1091914628.db2.gz FQDURRDKJSVLPR-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP CO[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001207295450 1091915886 /nfs/dbraw/zinc/91/58/86/1091915886.db2.gz QUQJCVOMELDQKS-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276525657 1091926505 /nfs/dbraw/zinc/92/65/05/1091926505.db2.gz IVMPYAYNTWMYMO-ARJAWSKDSA-N 2 1 316.493 3.027 20 0 DGADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)Cc2ccncc2)CC1 ZINC001207391334 1091953705 /nfs/dbraw/zinc/95/37/05/1091953705.db2.gz FNENQOKVTXQVBA-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC001207437234 1091968845 /nfs/dbraw/zinc/96/88/45/1091968845.db2.gz FJQJNTQGTHBCJF-INIZCTEOSA-N 2 1 322.880 3.491 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001140710692 1091968993 /nfs/dbraw/zinc/96/89/93/1091968993.db2.gz RDOLLPPVKOWJQH-UXHICEINSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001140710692 1091969001 /nfs/dbraw/zinc/96/90/01/1091969001.db2.gz RDOLLPPVKOWJQH-UXHICEINSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001140710692 1091969009 /nfs/dbraw/zinc/96/90/09/1091969009.db2.gz RDOLLPPVKOWJQH-UXHICEINSA-N 2 1 309.457 3.359 20 0 DGADMP C[C@H]1Cc2cc(Br)ccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC001207442928 1091971671 /nfs/dbraw/zinc/97/16/71/1091971671.db2.gz IQEDCTNVYMRGAO-LBPRGKRZSA-N 2 1 323.278 3.195 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140801098 1092005872 /nfs/dbraw/zinc/00/58/72/1092005872.db2.gz BSRHBQIYRVGREY-ZDUSSCGKSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140801098 1092005883 /nfs/dbraw/zinc/00/58/83/1092005883.db2.gz BSRHBQIYRVGREY-ZDUSSCGKSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801098 1092005894 /nfs/dbraw/zinc/00/58/94/1092005894.db2.gz BSRHBQIYRVGREY-ZDUSSCGKSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801098 1092005905 /nfs/dbraw/zinc/00/59/05/1092005905.db2.gz BSRHBQIYRVGREY-ZDUSSCGKSA-N 2 1 301.287 3.287 20 0 DGADMP Cc1cccc(CC[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001207537342 1092016610 /nfs/dbraw/zinc/01/66/10/1092016610.db2.gz BLGGLOVOBSUPGK-UHFFFAOYSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1cccc(CC[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001207537342 1092016620 /nfs/dbraw/zinc/01/66/20/1092016620.db2.gz BLGGLOVOBSUPGK-UHFFFAOYSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCCCC1 ZINC001207608621 1092038971 /nfs/dbraw/zinc/03/89/71/1092038971.db2.gz ZEFIFCCNDZHBOV-MOPGFXCFSA-N 2 1 307.526 3.057 20 0 DGADMP C[N@@H+](Cc1ccccc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140969158 1092088193 /nfs/dbraw/zinc/08/81/93/1092088193.db2.gz WTYLQLLGULYQRP-UHFFFAOYSA-N 2 1 309.457 3.070 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001140970867 1092088920 /nfs/dbraw/zinc/08/89/20/1092088920.db2.gz XDUIRWZWDGIBIH-LJQANCHMSA-N 2 1 319.468 3.153 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973691 1092089225 /nfs/dbraw/zinc/08/92/25/1092089225.db2.gz PAIYSQIUCNHSTR-DLBZAZTESA-N 2 1 301.478 3.059 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(N4CCCCC4)o3)(C1)CCC2 ZINC001276545541 1092106361 /nfs/dbraw/zinc/10/63/61/1092106361.db2.gz WPSSWCWAUBKDJQ-RBUKOAKNSA-N 2 1 317.477 3.424 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207851142 1092120951 /nfs/dbraw/zinc/12/09/51/1092120951.db2.gz TZYZNLRGBXVZOM-ZWKOTPCHSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@H](C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1)c1ccccc1 ZINC001207910789 1092138567 /nfs/dbraw/zinc/13/85/67/1092138567.db2.gz YHXDLWGJJUPPJJ-QGZVFWFLSA-N 2 1 316.489 3.365 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC001207910587 1092138717 /nfs/dbraw/zinc/13/87/17/1092138717.db2.gz VEBIJMFYPRBUEV-YLJYHZDGSA-N 2 1 316.489 3.365 20 0 DGADMP CN(Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962202 1092160204 /nfs/dbraw/zinc/16/02/04/1092160204.db2.gz IVXXNJPVXAZTII-LJQANCHMSA-N 2 1 320.452 3.291 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2ncccn2)cc1 ZINC001141188587 1092166294 /nfs/dbraw/zinc/16/62/94/1092166294.db2.gz JUIOXXKRUSCAML-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2ncccn2)cc1 ZINC001141188587 1092166297 /nfs/dbraw/zinc/16/62/97/1092166297.db2.gz JUIOXXKRUSCAML-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000088698809 1092196849 /nfs/dbraw/zinc/19/68/49/1092196849.db2.gz MVOURQLSHZHVJR-JENIJYKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000088698809 1092196857 /nfs/dbraw/zinc/19/68/57/1092196857.db2.gz MVOURQLSHZHVJR-JENIJYKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000088698809 1092196864 /nfs/dbraw/zinc/19/68/64/1092196864.db2.gz MVOURQLSHZHVJR-JENIJYKNSA-N 2 1 303.494 3.142 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001208106780 1092197164 /nfs/dbraw/zinc/19/71/64/1092197164.db2.gz KOXIVNHWXLPMIY-QGZVFWFLSA-N 2 1 306.425 3.011 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001208107147 1092198277 /nfs/dbraw/zinc/19/82/77/1092198277.db2.gz OPFRFERIASEUHB-GOSISDBHSA-N 3 1 307.526 3.059 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001208108547 1092198876 /nfs/dbraw/zinc/19/88/76/1092198876.db2.gz FJMCLEZVTPFSJF-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+](Cc1ccc2cc(F)ccc2n1)CC1CC[NH+](C)CC1 ZINC001141646282 1092308235 /nfs/dbraw/zinc/30/82/35/1092308235.db2.gz LJLIDSZRBTUONH-UHFFFAOYSA-N 2 1 301.409 3.148 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c1OCO2 ZINC001141958468 1092369584 /nfs/dbraw/zinc/36/95/84/1092369584.db2.gz GQRPNFHBBYOOIP-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c1OCO2 ZINC001141958468 1092369595 /nfs/dbraw/zinc/36/95/95/1092369595.db2.gz GQRPNFHBBYOOIP-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC001141958468 1092369606 /nfs/dbraw/zinc/36/96/06/1092369606.db2.gz GQRPNFHBBYOOIP-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCO2 ZINC001141958468 1092369619 /nfs/dbraw/zinc/36/96/19/1092369619.db2.gz GQRPNFHBBYOOIP-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@H]2C1 ZINC001141994621 1092382000 /nfs/dbraw/zinc/38/20/00/1092382000.db2.gz SOHNFNVLCFHIJR-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP C[C@H]1C[N@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001205993684 1092394799 /nfs/dbraw/zinc/39/47/99/1092394799.db2.gz IJLMYMCQCHTETR-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001205993684 1092394804 /nfs/dbraw/zinc/39/48/04/1092394804.db2.gz IJLMYMCQCHTETR-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC001208594226 1092417605 /nfs/dbraw/zinc/41/76/05/1092417605.db2.gz LUASFNQGVRACMW-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC001208594226 1092417614 /nfs/dbraw/zinc/41/76/14/1092417614.db2.gz LUASFNQGVRACMW-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001208598980 1092419451 /nfs/dbraw/zinc/41/94/51/1092419451.db2.gz GXCKQDMKUJOTPV-HSALFYBXSA-N 2 1 320.521 3.245 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001208600869 1092419568 /nfs/dbraw/zinc/41/95/68/1092419568.db2.gz YGPUFWQYOFNRFE-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)CC1 ZINC001208599420 1092420474 /nfs/dbraw/zinc/42/04/74/1092420474.db2.gz HKAAKFHNEXVICG-SFHVURJKSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1cccc(OC2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC001208614445 1092427767 /nfs/dbraw/zinc/42/77/67/1092427767.db2.gz DIUXHJNWPDIDBL-QGZVFWFLSA-N 2 1 302.462 3.180 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)CC(C)(C)C ZINC001208659256 1092443293 /nfs/dbraw/zinc/44/32/93/1092443293.db2.gz HGXSMJARTGOFHS-KURKYZTESA-N 2 1 309.542 3.159 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCC3CCCC3)C2)C1 ZINC001208694408 1092462751 /nfs/dbraw/zinc/46/27/51/1092462751.db2.gz ZKSLJDNDQPTTQW-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCC3CCCC3)C2)C1 ZINC001208694408 1092462757 /nfs/dbraw/zinc/46/27/57/1092462757.db2.gz ZKSLJDNDQPTTQW-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001208694408 1092462760 /nfs/dbraw/zinc/46/27/60/1092462760.db2.gz ZKSLJDNDQPTTQW-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001208694408 1092462763 /nfs/dbraw/zinc/46/27/63/1092462763.db2.gz ZKSLJDNDQPTTQW-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001208732654 1092479397 /nfs/dbraw/zinc/47/93/97/1092479397.db2.gz IVGLOMQORVNEIL-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001208732654 1092479401 /nfs/dbraw/zinc/47/94/01/1092479401.db2.gz IVGLOMQORVNEIL-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1cccc3ccccc31)C2 ZINC001169100257 1092530332 /nfs/dbraw/zinc/53/03/32/1092530332.db2.gz HNXOUDGZKSNPCY-BMQTXXJKSA-N 2 1 324.468 3.478 20 0 DGADMP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccns4)(C2)CCC3)c1 ZINC001276592182 1092531107 /nfs/dbraw/zinc/53/11/07/1092531107.db2.gz WGYAYEMHCJWBPM-DLBZAZTESA-N 2 1 316.474 3.196 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1-c1cccnc1)C2 ZINC001169101186 1092531946 /nfs/dbraw/zinc/53/19/46/1092531946.db2.gz OTBAXEUQHZOGNU-REPLKXPHSA-N 2 1 307.441 3.463 20 0 DGADMP COc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC001169102295 1092533435 /nfs/dbraw/zinc/53/34/35/1092533435.db2.gz ZBCXYXCGHBLHDV-BMFAXAFESA-N 2 1 300.446 3.361 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119378 1092543320 /nfs/dbraw/zinc/54/33/20/1092543320.db2.gz SCGHFUVNXVQUIS-NESYVKMTSA-N 2 1 305.510 3.126 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119378 1092543328 /nfs/dbraw/zinc/54/33/28/1092543328.db2.gz SCGHFUVNXVQUIS-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119378 1092543340 /nfs/dbraw/zinc/54/33/40/1092543340.db2.gz SCGHFUVNXVQUIS-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119378 1092543348 /nfs/dbraw/zinc/54/33/48/1092543348.db2.gz SCGHFUVNXVQUIS-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119378 1092543356 /nfs/dbraw/zinc/54/33/56/1092543356.db2.gz SCGHFUVNXVQUIS-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCC1)C2 ZINC001169123040 1092544334 /nfs/dbraw/zinc/54/43/34/1092544334.db2.gz IBWKFDRYPPOJDW-MUJYYYPQSA-N 2 1 322.493 3.103 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001169125865 1092544704 /nfs/dbraw/zinc/54/47/04/1092544704.db2.gz MRYBEWMVQCNODG-BCDXTJNWSA-N 2 1 319.880 3.087 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001169125865 1092544715 /nfs/dbraw/zinc/54/47/15/1092544715.db2.gz MRYBEWMVQCNODG-BCDXTJNWSA-N 2 1 319.880 3.087 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1cccc3ccoc31)C2 ZINC001169124945 1092545522 /nfs/dbraw/zinc/54/55/22/1092545522.db2.gz ULXHFSVSMUYMFS-MUJYYYPQSA-N 2 1 300.402 3.026 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001169123049 1092545673 /nfs/dbraw/zinc/54/56/73/1092545673.db2.gz IGZHBKMCHQWGBL-FFGOWVMKSA-N 2 1 317.521 3.022 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001169130899 1092547789 /nfs/dbraw/zinc/54/77/89/1092547789.db2.gz PRLZBUDILKUEOQ-ALXJQNPVSA-N 2 1 319.880 3.087 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001169130899 1092547800 /nfs/dbraw/zinc/54/78/00/1092547800.db2.gz PRLZBUDILKUEOQ-ALXJQNPVSA-N 2 1 319.880 3.087 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107813 1092553133 /nfs/dbraw/zinc/55/31/33/1092553133.db2.gz KOQJBFPFPNBVQP-PHZGNYQRSA-N 2 1 323.278 3.472 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3cccnc3)cc1)C2 ZINC001169108011 1092553291 /nfs/dbraw/zinc/55/32/91/1092553291.db2.gz MOEDGYVSDJLJCD-ACDBMABISA-N 2 1 307.441 3.463 20 0 DGADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)sn1 ZINC001276591687 1092555206 /nfs/dbraw/zinc/55/52/06/1092555206.db2.gz OJRQRJVIJGKLIV-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP c1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)sn1 ZINC001276591687 1092555219 /nfs/dbraw/zinc/55/52/19/1092555219.db2.gz OJRQRJVIJGKLIV-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP c1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)sn1 ZINC001276591687 1092555232 /nfs/dbraw/zinc/55/52/32/1092555232.db2.gz OJRQRJVIJGKLIV-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP COc1cc2[nH+]ccn2cc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169151544 1092564878 /nfs/dbraw/zinc/56/48/78/1092564878.db2.gz KYVSXHVTTPKRKJ-FZKQIMNGSA-N 2 1 316.449 3.299 20 0 DGADMP COc1ccc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169140472 1092575255 /nfs/dbraw/zinc/57/52/55/1092575255.db2.gz KDFMITLFHGXJKT-REPLKXPHSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001169140254 1092576253 /nfs/dbraw/zinc/57/62/53/1092576253.db2.gz QGXYBXLNGVBDHW-NADOGSGZSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001169140254 1092576265 /nfs/dbraw/zinc/57/62/65/1092576265.db2.gz QGXYBXLNGVBDHW-NADOGSGZSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001169140254 1092576279 /nfs/dbraw/zinc/57/62/79/1092576279.db2.gz QGXYBXLNGVBDHW-NADOGSGZSA-N 2 1 318.505 3.139 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnc2[nH]ccc21 ZINC001142882590 1092577675 /nfs/dbraw/zinc/57/76/75/1092577675.db2.gz SMNHPISTHIZBKW-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccnc2[nH]ccc21 ZINC001142882590 1092577685 /nfs/dbraw/zinc/57/76/85/1092577685.db2.gz SMNHPISTHIZBKW-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccnc2[nH]ccc21 ZINC001142882590 1092577698 /nfs/dbraw/zinc/57/76/98/1092577698.db2.gz SMNHPISTHIZBKW-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP COCC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931405 1092592079 /nfs/dbraw/zinc/59/20/79/1092592079.db2.gz JIZJOVUVDPWTTA-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@]1(O)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208932383 1092597624 /nfs/dbraw/zinc/59/76/24/1092597624.db2.gz PLPHEFXHROETRK-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208932383 1092597633 /nfs/dbraw/zinc/59/76/33/1092597633.db2.gz PLPHEFXHROETRK-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932383 1092597645 /nfs/dbraw/zinc/59/76/45/1092597645.db2.gz PLPHEFXHROETRK-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP FC1(F)C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208934280 1092597789 /nfs/dbraw/zinc/59/77/89/1092597789.db2.gz YICACHUBWZILMG-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208934280 1092597793 /nfs/dbraw/zinc/59/77/93/1092597793.db2.gz YICACHUBWZILMG-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208934280 1092597799 /nfs/dbraw/zinc/59/77/99/1092597799.db2.gz YICACHUBWZILMG-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208933552 1092597881 /nfs/dbraw/zinc/59/78/81/1092597881.db2.gz WECVICFITHZXIF-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933552 1092597885 /nfs/dbraw/zinc/59/78/85/1092597885.db2.gz WECVICFITHZXIF-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933552 1092597890 /nfs/dbraw/zinc/59/78/90/1092597890.db2.gz WECVICFITHZXIF-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936998 1092599842 /nfs/dbraw/zinc/59/98/42/1092599842.db2.gz QIOLNVHJCRNIAP-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936998 1092599849 /nfs/dbraw/zinc/59/98/49/1092599849.db2.gz QIOLNVHJCRNIAP-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936998 1092599867 /nfs/dbraw/zinc/59/98/67/1092599867.db2.gz QIOLNVHJCRNIAP-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936998 1092599870 /nfs/dbraw/zinc/59/98/70/1092599870.db2.gz QIOLNVHJCRNIAP-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947826 1092605478 /nfs/dbraw/zinc/60/54/78/1092605478.db2.gz DIPUTHSRGZLJHG-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947826 1092605480 /nfs/dbraw/zinc/60/54/80/1092605480.db2.gz DIPUTHSRGZLJHG-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947826 1092605485 /nfs/dbraw/zinc/60/54/85/1092605485.db2.gz DIPUTHSRGZLJHG-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Cc3cccc(OC)c3)CC2)CC1 ZINC001169261493 1092605841 /nfs/dbraw/zinc/60/58/41/1092605841.db2.gz HWBYOVXHLUXTOS-UHFFFAOYSA-N 2 1 316.489 3.434 20 0 DGADMP FC1(F)C[C@@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208950619 1092609024 /nfs/dbraw/zinc/60/90/24/1092609024.db2.gz VYDYUDLKZKEHCH-DLBZAZTESA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208950619 1092609031 /nfs/dbraw/zinc/60/90/31/1092609031.db2.gz VYDYUDLKZKEHCH-DLBZAZTESA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208950619 1092609036 /nfs/dbraw/zinc/60/90/36/1092609036.db2.gz VYDYUDLKZKEHCH-DLBZAZTESA-N 2 1 306.400 3.240 20 0 DGADMP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950892 1092609257 /nfs/dbraw/zinc/60/92/57/1092609257.db2.gz XKOTYBDKDOZGLP-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950892 1092609265 /nfs/dbraw/zinc/60/92/65/1092609265.db2.gz XKOTYBDKDOZGLP-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950892 1092609270 /nfs/dbraw/zinc/60/92/70/1092609270.db2.gz XKOTYBDKDOZGLP-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208950892 1092609275 /nfs/dbraw/zinc/60/92/75/1092609275.db2.gz XKOTYBDKDOZGLP-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950957 1092609673 /nfs/dbraw/zinc/60/96/73/1092609673.db2.gz XTNGDJFRJAMBSH-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950957 1092609678 /nfs/dbraw/zinc/60/96/78/1092609678.db2.gz XTNGDJFRJAMBSH-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950957 1092609679 /nfs/dbraw/zinc/60/96/79/1092609679.db2.gz XTNGDJFRJAMBSH-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCN1CCC([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240932 1092611955 /nfs/dbraw/zinc/61/19/55/1092611955.db2.gz NIUIJTUHLPFDGR-SAABIXHNSA-N 3 1 307.526 3.375 20 0 DGADMP CC[NH+]1CCC([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240932 1092611959 /nfs/dbraw/zinc/61/19/59/1092611959.db2.gz NIUIJTUHLPFDGR-SAABIXHNSA-N 3 1 307.526 3.375 20 0 DGADMP CC[NH+]1CCC([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240932 1092611965 /nfs/dbraw/zinc/61/19/65/1092611965.db2.gz NIUIJTUHLPFDGR-SAABIXHNSA-N 3 1 307.526 3.375 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2n[nH]cc21 ZINC001143097138 1092614000 /nfs/dbraw/zinc/61/40/00/1092614000.db2.gz QHQBCZLDRCPCBK-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2n[nH]cc21 ZINC001143097138 1092614004 /nfs/dbraw/zinc/61/40/04/1092614004.db2.gz QHQBCZLDRCPCBK-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2n[nH]cc21 ZINC001143097138 1092614007 /nfs/dbraw/zinc/61/40/07/1092614007.db2.gz QHQBCZLDRCPCBK-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP c1c2cccnc2[nH]c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001143220943 1092637045 /nfs/dbraw/zinc/63/70/45/1092637045.db2.gz VFUMIPPFLMIUNC-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP c1c2cccnc2[nH]c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001143220943 1092637053 /nfs/dbraw/zinc/63/70/53/1092637053.db2.gz VFUMIPPFLMIUNC-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209096417 1092648860 /nfs/dbraw/zinc/64/88/60/1092648860.db2.gz BUQMTEYOMKUFCM-LJQANCHMSA-N 2 1 324.509 3.308 20 0 DGADMP COC(=O)CCCCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209096417 1092648866 /nfs/dbraw/zinc/64/88/66/1092648866.db2.gz BUQMTEYOMKUFCM-LJQANCHMSA-N 2 1 324.509 3.308 20 0 DGADMP COC(=O)CCCCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001209096417 1092648871 /nfs/dbraw/zinc/64/88/71/1092648871.db2.gz BUQMTEYOMKUFCM-LJQANCHMSA-N 2 1 324.509 3.308 20 0 DGADMP COC(=O)CCCCCCCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209094948 1092649283 /nfs/dbraw/zinc/64/92/83/1092649283.db2.gz MSSDBORBPZJMAK-GOSISDBHSA-N 2 1 324.509 3.450 20 0 DGADMP O=c1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc[nH]1 ZINC001276618476 1092669826 /nfs/dbraw/zinc/66/98/26/1092669826.db2.gz REZJQLUMJLDECG-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276622485 1092682263 /nfs/dbraw/zinc/68/22/63/1092682263.db2.gz CWOCTWABLRCWDA-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276622485 1092682269 /nfs/dbraw/zinc/68/22/69/1092682269.db2.gz CWOCTWABLRCWDA-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276622485 1092682273 /nfs/dbraw/zinc/68/22/73/1092682273.db2.gz CWOCTWABLRCWDA-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP COCCCC[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001209215581 1092696475 /nfs/dbraw/zinc/69/64/75/1092696475.db2.gz NCVPWUWOMLMNDE-SFHVURJKSA-N 2 1 320.477 3.383 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCOc1ccccc1 ZINC001209300638 1092730031 /nfs/dbraw/zinc/73/00/31/1092730031.db2.gz DGZYFUSACNZUQP-ROUUACIJSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC001209300638 1092730040 /nfs/dbraw/zinc/73/00/40/1092730040.db2.gz DGZYFUSACNZUQP-ROUUACIJSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC001209300638 1092730049 /nfs/dbraw/zinc/73/00/49/1092730049.db2.gz DGZYFUSACNZUQP-ROUUACIJSA-N 2 1 302.462 3.404 20 0 DGADMP COc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276635770 1092741149 /nfs/dbraw/zinc/74/11/49/1092741149.db2.gz WBVKKFZVRYMWGV-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276635770 1092741153 /nfs/dbraw/zinc/74/11/53/1092741153.db2.gz WBVKKFZVRYMWGV-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2[nH]cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001276635770 1092741155 /nfs/dbraw/zinc/74/11/55/1092741155.db2.gz WBVKKFZVRYMWGV-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2[nH]cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC001276635770 1092741158 /nfs/dbraw/zinc/74/11/58/1092741158.db2.gz WBVKKFZVRYMWGV-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206632507 1092745322 /nfs/dbraw/zinc/74/53/22/1092745322.db2.gz LZLQCBJNLNEPKC-LBPRGKRZSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001206632507 1092745326 /nfs/dbraw/zinc/74/53/26/1092745326.db2.gz LZLQCBJNLNEPKC-LBPRGKRZSA-N 2 1 320.330 3.285 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209412492 1092763914 /nfs/dbraw/zinc/76/39/14/1092763914.db2.gz GOCIRPSJQXYZSI-CVEARBPZSA-N 2 1 320.502 3.071 20 0 DGADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209414551 1092764983 /nfs/dbraw/zinc/76/49/83/1092764983.db2.gz NMJUNXCHMMDEKU-HKUYNNGSSA-N 2 1 314.473 3.009 20 0 DGADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001276646834 1092795166 /nfs/dbraw/zinc/79/51/66/1092795166.db2.gz MKJUEANGQQIYCR-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP Cc1n[nH]cc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209557420 1092820838 /nfs/dbraw/zinc/82/08/38/1092820838.db2.gz RRUWAIZVRNPCGU-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001209594960 1092840195 /nfs/dbraw/zinc/84/01/95/1092840195.db2.gz KOTWQLBMQKLLFC-UHFFFAOYSA-N 2 1 312.461 3.322 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3nccc(Cl)c3c2)C1 ZINC001206639941 1092879741 /nfs/dbraw/zinc/87/97/41/1092879741.db2.gz GYUQUEKZKDGLIB-AWEZNQCLSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3nccc(Cl)c3c2)C1 ZINC001206639942 1092880136 /nfs/dbraw/zinc/88/01/36/1092880136.db2.gz GYUQUEKZKDGLIB-CQSZACIVSA-N 2 1 303.837 3.449 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC001209777901 1092918368 /nfs/dbraw/zinc/91/83/68/1092918368.db2.gz MSKGZNVGQLRGSZ-UHFFFAOYSA-N 2 1 303.494 3.305 20 0 DGADMP C[NH2+]CC1C[NH+](Cc2c3ccccc3n(C)c2-c2ccccc2)C1 ZINC001210561184 1093210154 /nfs/dbraw/zinc/21/01/54/1093210154.db2.gz IAGJZLIOECYJKN-UHFFFAOYSA-N 2 1 319.452 3.497 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCCC1 ZINC001276746617 1094255354 /nfs/dbraw/zinc/25/53/54/1094255354.db2.gz ZEFIFCCNDZHBOV-OALUTQOASA-N 2 1 307.526 3.057 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000404386218 1094256097 /nfs/dbraw/zinc/25/60/97/1094256097.db2.gz WFJIRFCWLWYVOJ-RHSMWYFYSA-N 2 1 314.429 3.051 20 0 DGADMP Cc1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)sn1 ZINC000404485617 1094259489 /nfs/dbraw/zinc/25/94/89/1094259489.db2.gz KYFFFXDNPLYGCE-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404485617 1094259495 /nfs/dbraw/zinc/25/94/95/1094259495.db2.gz KYFFFXDNPLYGCE-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404485617 1094259500 /nfs/dbraw/zinc/25/95/00/1094259500.db2.gz KYFFFXDNPLYGCE-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC)CCCCC1 ZINC001119990489 1094337500 /nfs/dbraw/zinc/33/75/00/1094337500.db2.gz ZSUAVPRFNRWZDB-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001120045628 1094360965 /nfs/dbraw/zinc/36/09/65/1094360965.db2.gz ALJBJIZYMBMOKV-VOTSOKGWSA-N 2 1 323.525 3.093 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001120255212 1094395487 /nfs/dbraw/zinc/39/54/87/1094395487.db2.gz AZAOPYWXXQTTIJ-GBESFXJTSA-N 2 1 324.472 3.170 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC001120482318 1094440489 /nfs/dbraw/zinc/44/04/89/1094440489.db2.gz XUZNTINKIATGHQ-HNNXBMFYSA-N 2 1 318.383 3.059 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC001120482318 1094440494 /nfs/dbraw/zinc/44/04/94/1094440494.db2.gz XUZNTINKIATGHQ-HNNXBMFYSA-N 2 1 318.383 3.059 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC001120570278 1094458503 /nfs/dbraw/zinc/45/85/03/1094458503.db2.gz ROQAHQJNJYFKIN-HNNXBMFYSA-N 2 1 321.440 3.008 20 0 DGADMP CC(C)(C)c1ccc(-c2nnc([C@@H]([NH3+])C3CC[NH2+]CC3)o2)cc1 ZINC001217732304 1094485954 /nfs/dbraw/zinc/48/59/54/1094485954.db2.gz AAKONSZNLQEZEK-HNNXBMFYSA-N 2 1 314.433 3.034 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@@H]3C[NH2+]CCC34CC4)C2)cc1 ZINC001217912779 1094516198 /nfs/dbraw/zinc/51/61/98/1094516198.db2.gz KIKWJAIZPFXCSL-RTBURBONSA-N 2 1 314.473 3.057 20 0 DGADMP CC[C@]1(c2cccc(O[C@H]3C[NH2+]C[C@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001217968836 1094534251 /nfs/dbraw/zinc/53/42/51/1094534251.db2.gz TZBPLVGHAPVSAH-UXPWSPDFSA-N 2 1 316.489 3.437 20 0 DGADMP CC[C@@]1(c2cccc(O[C@@H]3C=CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218335806 1094725362 /nfs/dbraw/zinc/72/53/62/1094725362.db2.gz YAJSBOWGJCNZNA-WOJBJXKFSA-N 2 1 314.473 3.357 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218335913 1094725814 /nfs/dbraw/zinc/72/58/14/1094725814.db2.gz ODMDMIAKUNKSJY-LAUBAEHRSA-N 2 1 324.468 3.477 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135980960 1094773591 /nfs/dbraw/zinc/77/35/91/1094773591.db2.gz VJKUMOQRIMNJIN-IRXDYDNUSA-N 2 1 323.525 3.092 20 0 DGADMP [NH3+]Cc1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001218442700 1094776794 /nfs/dbraw/zinc/77/67/94/1094776794.db2.gz UUAFSOKWDHUZFO-SESVDKBCSA-N 2 1 322.452 3.435 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOCC4)[C@H]3C2)cc1 ZINC000309759065 1094785930 /nfs/dbraw/zinc/78/59/30/1094785930.db2.gz CUTKWLRAFXRXNR-YRPNKDGESA-N 2 1 314.473 3.056 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1Cl ZINC001337086661 1094848802 /nfs/dbraw/zinc/84/88/02/1094848802.db2.gz HNAJKAVBQXQVHA-ZBFHGGJFSA-N 2 1 323.868 3.248 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218897828 1094896214 /nfs/dbraw/zinc/89/62/14/1094896214.db2.gz IOBDWMAQPBXYIT-UHFFFAOYSA-N 2 1 319.493 3.374 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1N ZINC000310406093 1094927930 /nfs/dbraw/zinc/92/79/30/1094927930.db2.gz LRJRQUONUFCLBX-ZHALLVOQSA-N 2 1 322.456 3.295 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170932076 1094955917 /nfs/dbraw/zinc/95/59/17/1094955917.db2.gz WITFAQRFSSQFMH-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170932076 1094955928 /nfs/dbraw/zinc/95/59/28/1094955928.db2.gz WITFAQRFSSQFMH-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170932076 1094955942 /nfs/dbraw/zinc/95/59/42/1094955942.db2.gz WITFAQRFSSQFMH-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001122371641 1094960770 /nfs/dbraw/zinc/96/07/70/1094960770.db2.gz SVTYQMBIBFQAJI-CQSZACIVSA-N 2 1 324.428 3.344 20 0 DGADMP Cc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)ccn1 ZINC001276805471 1094983392 /nfs/dbraw/zinc/98/33/92/1094983392.db2.gz GBEPOGXJEZOSBS-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001276805781 1094985710 /nfs/dbraw/zinc/98/57/10/1094985710.db2.gz LXSDLOFQXFOBJN-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001276805781 1094985726 /nfs/dbraw/zinc/98/57/26/1094985726.db2.gz LXSDLOFQXFOBJN-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001276805781 1094985738 /nfs/dbraw/zinc/98/57/38/1094985738.db2.gz LXSDLOFQXFOBJN-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246082633 1094999671 /nfs/dbraw/zinc/99/96/71/1094999671.db2.gz XVKBXTDHSHIPKA-ZOWXZIJZSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c(N)n1 ZINC001337735616 1095076486 /nfs/dbraw/zinc/07/64/86/1095076486.db2.gz WMUXMVMZMQHIPX-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c(N)n1 ZINC001337735616 1095076500 /nfs/dbraw/zinc/07/65/00/1095076500.db2.gz WMUXMVMZMQHIPX-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CCC2 ZINC001337805413 1095102111 /nfs/dbraw/zinc/10/21/11/1095102111.db2.gz KANXHRJNXKYRPD-HOTGVXAUSA-N 2 1 304.482 3.209 20 0 DGADMP COc1c(F)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC001143847386 1095401643 /nfs/dbraw/zinc/40/16/43/1095401643.db2.gz LEQLAXCSOKPCGL-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000319894715 1095419299 /nfs/dbraw/zinc/41/92/99/1095419299.db2.gz KLLNNSXEAPKDHM-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000319894715 1095419304 /nfs/dbraw/zinc/41/93/04/1095419304.db2.gz KLLNNSXEAPKDHM-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1CC ZINC001222148006 1095457402 /nfs/dbraw/zinc/45/74/02/1095457402.db2.gz HOAFELVMLZDWRK-LJQANCHMSA-N 2 1 302.462 3.223 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1CC ZINC001222148006 1095457408 /nfs/dbraw/zinc/45/74/08/1095457408.db2.gz HOAFELVMLZDWRK-LJQANCHMSA-N 2 1 302.462 3.223 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(CC)c1O ZINC001222147814 1095457840 /nfs/dbraw/zinc/45/78/40/1095457840.db2.gz BEVDYPCVQMEFHK-LJQANCHMSA-N 2 1 302.462 3.093 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162120 1095469497 /nfs/dbraw/zinc/46/94/97/1095469497.db2.gz YUACUMVYXLVZLW-GOSISDBHSA-N 2 1 304.482 3.039 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162120 1095469501 /nfs/dbraw/zinc/46/95/01/1095469501.db2.gz YUACUMVYXLVZLW-GOSISDBHSA-N 2 1 304.482 3.039 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c2nccnc2c1 ZINC001222162157 1095469798 /nfs/dbraw/zinc/46/97/98/1095469798.db2.gz ZYLNTLKBJMESAB-HXUWFJFHSA-N 2 1 324.472 3.376 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222166894 1095471026 /nfs/dbraw/zinc/47/10/26/1095471026.db2.gz FHFYPFRAYCIJEW-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222166894 1095471033 /nfs/dbraw/zinc/47/10/33/1095471033.db2.gz FHFYPFRAYCIJEW-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167877 1095474055 /nfs/dbraw/zinc/47/40/55/1095474055.db2.gz UILDPIHEGXMNCI-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167877 1095474058 /nfs/dbraw/zinc/47/40/58/1095474058.db2.gz UILDPIHEGXMNCI-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP Nc1cccc(F)c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167359 1095474352 /nfs/dbraw/zinc/47/43/52/1095474352.db2.gz KUASXHDWZUKLCT-GOSISDBHSA-N 2 1 305.441 3.154 20 0 DGADMP Nc1cccc(F)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167359 1095474359 /nfs/dbraw/zinc/47/43/59/1095474359.db2.gz KUASXHDWZUKLCT-GOSISDBHSA-N 2 1 305.441 3.154 20 0 DGADMP CCOc1cncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171957 1095475525 /nfs/dbraw/zinc/47/55/25/1095475525.db2.gz GODUNWLMBAZCRG-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1cncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171957 1095475529 /nfs/dbraw/zinc/47/55/29/1095475529.db2.gz GODUNWLMBAZCRG-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1C ZINC001222172993 1095478029 /nfs/dbraw/zinc/47/80/29/1095478029.db2.gz PJZADNHTOLMFRG-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1C ZINC001222172993 1095478035 /nfs/dbraw/zinc/47/80/35/1095478035.db2.gz PJZADNHTOLMFRG-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP Fc1c(Cl)cc(C[NH+]2CCC3(C[NH2+]C3)CC2)cc1Cl ZINC001222208786 1095493628 /nfs/dbraw/zinc/49/36/28/1095493628.db2.gz PUTHXQUTIBMKPS-UHFFFAOYSA-N 2 1 303.208 3.318 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134227 1095504945 /nfs/dbraw/zinc/50/49/45/1095504945.db2.gz VANWTIIHTLRXAH-JZXOWHBKSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134227 1095504952 /nfs/dbraw/zinc/50/49/52/1095504952.db2.gz VANWTIIHTLRXAH-JZXOWHBKSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134227 1095504959 /nfs/dbraw/zinc/50/49/59/1095504959.db2.gz VANWTIIHTLRXAH-JZXOWHBKSA-N 2 1 304.865 3.081 20 0 DGADMP c1cncc(-c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)c1 ZINC001222243738 1095507938 /nfs/dbraw/zinc/50/79/38/1095507938.db2.gz NVOGFQNONYBKHA-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP c1cncc(-c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)c1 ZINC001222243738 1095507947 /nfs/dbraw/zinc/50/79/47/1095507947.db2.gz NVOGFQNONYBKHA-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139237 1095508780 /nfs/dbraw/zinc/50/87/80/1095508780.db2.gz KCIATQHSRRVKPA-GFCCVEGCSA-N 2 1 310.228 3.421 20 0 DGADMP Cc1c(O)cccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001144118641 1095520139 /nfs/dbraw/zinc/52/01/39/1095520139.db2.gz FBWZPBDOQBFQJQ-WOJBJXKFSA-N 2 1 322.452 3.264 20 0 DGADMP Clc1cc2c(cc1C[N@@H+]1CCC[C@@]13CCC[NH2+]CC3)OCO2 ZINC001222314891 1095546356 /nfs/dbraw/zinc/54/63/56/1095546356.db2.gz KLBATDDTEQHYIL-QGZVFWFLSA-N 2 1 322.836 3.177 20 0 DGADMP Clc1cc2c(cc1C[N@H+]1CCC[C@@]13CCC[NH2+]CC3)OCO2 ZINC001222314891 1095546366 /nfs/dbraw/zinc/54/63/66/1095546366.db2.gz KLBATDDTEQHYIL-QGZVFWFLSA-N 2 1 322.836 3.177 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316485 1095547658 /nfs/dbraw/zinc/54/76/58/1095547658.db2.gz WUBUFADYYBICFM-LJQANCHMSA-N 2 1 318.461 3.202 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222326141 1095552531 /nfs/dbraw/zinc/55/25/31/1095552531.db2.gz RISFSWYINAENPV-SFHVURJKSA-N 2 1 306.425 3.251 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001116471913 1095569344 /nfs/dbraw/zinc/56/93/44/1095569344.db2.gz LMOSNAIPFJTFPQ-PBHICJAKSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001116471913 1095569349 /nfs/dbraw/zinc/56/93/49/1095569349.db2.gz LMOSNAIPFJTFPQ-PBHICJAKSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001116471913 1095569354 /nfs/dbraw/zinc/56/93/54/1095569354.db2.gz LMOSNAIPFJTFPQ-PBHICJAKSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001116471913 1095569363 /nfs/dbraw/zinc/56/93/63/1095569363.db2.gz LMOSNAIPFJTFPQ-PBHICJAKSA-N 2 1 321.896 3.322 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390696 1095588568 /nfs/dbraw/zinc/58/85/68/1095588568.db2.gz UBHLHDHQCBNOSN-FQEVSTJZSA-N 2 1 324.472 3.289 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001222402051 1095595671 /nfs/dbraw/zinc/59/56/71/1095595671.db2.gz XIKXENGVWQMUJS-UHFFFAOYSA-N 2 1 313.489 3.252 20 0 DGADMP CC[N@H+]1CCc2cc(-c3cnn(CC[NH+]4CCCC4)c3)ccc2C1 ZINC001222470974 1095630241 /nfs/dbraw/zinc/63/02/41/1095630241.db2.gz ZINZOKOZMFTSIZ-UHFFFAOYSA-N 2 1 324.472 3.024 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001222543125 1095659676 /nfs/dbraw/zinc/65/96/76/1095659676.db2.gz OYIPUSYDDZVMLB-UHFFFAOYSA-N 2 1 305.422 3.073 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001222553269 1095663629 /nfs/dbraw/zinc/66/36/29/1095663629.db2.gz RMQLWFFLVWJTHW-UHFFFAOYSA-N 2 1 323.412 3.212 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)cn1 ZINC001339603316 1095672366 /nfs/dbraw/zinc/67/23/66/1095672366.db2.gz FFJHYRBAWXSIMP-IBGZPJMESA-N 2 1 312.461 3.003 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596364 1095682862 /nfs/dbraw/zinc/68/28/62/1095682862.db2.gz VBQVHXSKCWRRGX-FQEVSTJZSA-N 2 1 322.452 3.274 20 0 DGADMP COc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C ZINC001222602110 1095687013 /nfs/dbraw/zinc/68/70/13/1095687013.db2.gz IBCUUDZNLFTWGK-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C ZINC001222602110 1095687024 /nfs/dbraw/zinc/68/70/24/1095687024.db2.gz IBCUUDZNLFTWGK-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C)c1 ZINC001222602510 1095687689 /nfs/dbraw/zinc/68/76/89/1095687689.db2.gz RRBXOIKBGDVNPF-HXUWFJFHSA-N 2 1 322.452 3.193 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)ccc1-2 ZINC001222620067 1095695260 /nfs/dbraw/zinc/69/52/60/1095695260.db2.gz FHHVGZAQRSCDIL-LAUBAEHRSA-N 2 1 304.437 3.442 20 0 DGADMP Brc1ccc(CCC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222616010 1095696324 /nfs/dbraw/zinc/69/63/24/1095696324.db2.gz VKTGHPSQGFIEGU-GOEBONIOSA-N 2 1 323.278 3.066 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1F ZINC001222629465 1095699703 /nfs/dbraw/zinc/69/97/03/1095699703.db2.gz IJYHJNIENMTNOW-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3c(C)cccc3C)CC2)CC1 ZINC001137852626 1095767646 /nfs/dbraw/zinc/76/76/46/1095767646.db2.gz KPUIOYRPWFFBSC-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(C(F)(F)F)c1)CC2 ZINC001137865710 1095772061 /nfs/dbraw/zinc/77/20/61/1095772061.db2.gz CMJUMUMSJVZJHQ-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cccccc1-2 ZINC001276852707 1095798865 /nfs/dbraw/zinc/79/88/65/1095798865.db2.gz OBSCDCPGOOFELT-BGYRXZFFSA-N 2 1 323.484 3.002 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001276871206 1095900768 /nfs/dbraw/zinc/90/07/68/1095900768.db2.gz ZUBMSQFGDFSEMF-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001276871206 1095900775 /nfs/dbraw/zinc/90/07/75/1095900775.db2.gz ZUBMSQFGDFSEMF-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001276871206 1095900786 /nfs/dbraw/zinc/90/07/86/1095900786.db2.gz ZUBMSQFGDFSEMF-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC001340517727 1095967769 /nfs/dbraw/zinc/96/77/69/1095967769.db2.gz VZGJQFSEIVEGAB-HZPDHXFCSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001340527312 1095970810 /nfs/dbraw/zinc/97/08/10/1095970810.db2.gz LGDFFZPHMKNSCC-OIISXLGYSA-N 2 1 318.461 3.199 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC001118494367 1096021566 /nfs/dbraw/zinc/02/15/66/1096021566.db2.gz FIKVQBWXAHWQQD-IBGZPJMESA-N 3 1 309.542 3.066 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC001340989135 1096088775 /nfs/dbraw/zinc/08/87/75/1096088775.db2.gz BFYSVIPPIYXMBW-ZACQAIPSSA-N 2 1 322.880 3.354 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001341042925 1096104363 /nfs/dbraw/zinc/10/43/63/1096104363.db2.gz CVPDGKHAIUJNJH-IRXDYDNUSA-N 2 1 301.478 3.441 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001341042925 1096104364 /nfs/dbraw/zinc/10/43/64/1096104364.db2.gz CVPDGKHAIUJNJH-IRXDYDNUSA-N 2 1 301.478 3.441 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942847 1096125793 /nfs/dbraw/zinc/12/57/93/1096125793.db2.gz BLFSBOKGXBNETC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942847 1096125799 /nfs/dbraw/zinc/12/57/99/1096125799.db2.gz BLFSBOKGXBNETC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942847 1096125806 /nfs/dbraw/zinc/12/58/06/1096125806.db2.gz BLFSBOKGXBNETC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)cc3cc[nH]c31)C2 ZINC001276942847 1096125812 /nfs/dbraw/zinc/12/58/12/1096125812.db2.gz BLFSBOKGXBNETC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001119241860 1096142753 /nfs/dbraw/zinc/14/27/53/1096142753.db2.gz NPVGWIXMGDTNIK-MRXNPFEDSA-N 2 1 322.456 3.367 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](CCC[NH3+])C(C)C)CC2 ZINC001171294408 1096164824 /nfs/dbraw/zinc/16/48/24/1096164824.db2.gz SQXOWMHLUPNSDN-ZDUSSCGKSA-N 2 1 310.869 3.265 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc1Cl ZINC001119320564 1096165576 /nfs/dbraw/zinc/16/55/76/1096165576.db2.gz PZVYFRZRAISUIK-UHFFFAOYSA-N 2 1 321.852 3.002 20 0 DGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147358559 1096209264 /nfs/dbraw/zinc/20/92/64/1096209264.db2.gz GTWLKXBPCAPZBN-LKGOPFMKSA-N 2 1 323.525 3.093 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@@H](OCCC[NH+]3CCCC3)C2)cc1 ZINC001224750251 1096277537 /nfs/dbraw/zinc/27/75/37/1096277537.db2.gz PMVUYRXARIXJMW-GOSISDBHSA-N 2 1 322.880 3.417 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001224817450 1096290714 /nfs/dbraw/zinc/29/07/14/1096290714.db2.gz QEXNOYRHGRDXPB-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001224817450 1096290721 /nfs/dbraw/zinc/29/07/21/1096290721.db2.gz QEXNOYRHGRDXPB-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001224817450 1096290731 /nfs/dbraw/zinc/29/07/31/1096290731.db2.gz QEXNOYRHGRDXPB-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171339265 1096456579 /nfs/dbraw/zinc/45/65/79/1096456579.db2.gz DKEBOOCWIIXKJK-XJKSGUPXSA-N 2 1 308.416 3.144 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379084 1096610239 /nfs/dbraw/zinc/61/02/39/1096610239.db2.gz BUHHPKLZFQFWMV-INIZCTEOSA-N 2 1 308.416 3.096 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171388252 1096640335 /nfs/dbraw/zinc/64/03/35/1096640335.db2.gz MUDYJOVCDSNGPO-OAHLLOKOSA-N 2 1 317.383 3.358 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227081958 1096863206 /nfs/dbraw/zinc/86/32/06/1096863206.db2.gz BAIUUYWLLDRZKJ-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171459927 1096891443 /nfs/dbraw/zinc/89/14/43/1096891443.db2.gz RGHQOWOYTPXAGH-NXOAAHMSSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171459927 1096891452 /nfs/dbraw/zinc/89/14/52/1096891452.db2.gz RGHQOWOYTPXAGH-NXOAAHMSSA-N 2 1 320.427 3.427 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171486633 1096896881 /nfs/dbraw/zinc/89/68/81/1096896881.db2.gz FWPWCCMZJLWMKS-MRXNPFEDSA-N 2 1 308.416 3.238 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171486633 1096896886 /nfs/dbraw/zinc/89/68/86/1096896886.db2.gz FWPWCCMZJLWMKS-MRXNPFEDSA-N 2 1 308.416 3.238 20 0 DGADMP c1cc2cc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)ccc2cn1 ZINC001171554022 1096921795 /nfs/dbraw/zinc/92/17/95/1096921795.db2.gz CVTPRLJAIQEYTG-UHFFFAOYSA-N 2 1 318.424 3.342 20 0 DGADMP C[NH+]1C(C)(C)CC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1(C)C ZINC001171626905 1096938473 /nfs/dbraw/zinc/93/84/73/1096938473.db2.gz GQRFUQPBIHMPSS-KRWDZBQOSA-N 2 1 321.553 3.492 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H]1C ZINC001171639508 1096949769 /nfs/dbraw/zinc/94/97/69/1096949769.db2.gz NAXLDIREJXMNEJ-ZBFHGGJFSA-N 2 1 324.509 3.301 20 0 DGADMP C[C@H]1C[C@H](Nc2ccc(CC[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171727265 1096955373 /nfs/dbraw/zinc/95/53/73/1096955373.db2.gz UHHJTBKAQOJGMF-JXFKEZNVSA-N 2 1 309.457 3.263 20 0 DGADMP C[C@@H]1C[C@H](Nc2cccc(F)c2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727570 1096955982 /nfs/dbraw/zinc/95/59/82/1096955982.db2.gz WOVOGKDPZZNLEB-ZBFHGGJFSA-N 2 1 313.420 3.359 20 0 DGADMP C[C@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001171727709 1096956153 /nfs/dbraw/zinc/95/61/53/1096956153.db2.gz GBWLGMJNUZLBJT-LEAZDLGRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171727709 1096956157 /nfs/dbraw/zinc/95/61/57/1096956157.db2.gz GBWLGMJNUZLBJT-LEAZDLGRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@@H](n2c3ccccc3nc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727385 1096956207 /nfs/dbraw/zinc/95/62/07/1096956207.db2.gz VLETUFKLLZVXFR-DOTOQJQBSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733007 1096957962 /nfs/dbraw/zinc/95/79/62/1096957962.db2.gz HEZJYWYNMXIWOK-BHIYHBOVSA-N 2 1 321.468 3.212 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171766242 1096966551 /nfs/dbraw/zinc/96/65/51/1096966551.db2.gz CGGAZZFEDXHPDT-HOJAQTOUSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171766242 1096966555 /nfs/dbraw/zinc/96/65/55/1096966555.db2.gz CGGAZZFEDXHPDT-HOJAQTOUSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171766242 1096966557 /nfs/dbraw/zinc/96/65/57/1096966557.db2.gz CGGAZZFEDXHPDT-HOJAQTOUSA-N 2 1 315.505 3.064 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171772188 1096968346 /nfs/dbraw/zinc/96/83/46/1096968346.db2.gz AHVKBWGGWNGUGW-IEBWSBKVSA-N 2 1 324.443 3.405 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001171958541 1097004614 /nfs/dbraw/zinc/00/46/14/1097004614.db2.gz BBTWUZIELDBISJ-JSGCOSHPSA-N 2 1 300.368 3.178 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171963973 1097006411 /nfs/dbraw/zinc/00/64/11/1097006411.db2.gz JKYAIFVOZQFRBZ-GUDVDZBRSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001171933768 1097011928 /nfs/dbraw/zinc/01/19/28/1097011928.db2.gz HDLCEFYQKNVLBX-UHFFFAOYSA-N 2 1 322.493 3.057 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969123 1097019173 /nfs/dbraw/zinc/01/91/73/1097019173.db2.gz TVUDDJLAINALEP-QXAKKESOSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)(C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972011 1097021709 /nfs/dbraw/zinc/02/17/09/1097021709.db2.gz LMCXJZLPCZLRJK-ROUUACIJSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC001171976164 1097023301 /nfs/dbraw/zinc/02/33/01/1097023301.db2.gz ITZDSJDFVINLKL-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC001171976164 1097023306 /nfs/dbraw/zinc/02/33/06/1097023306.db2.gz ITZDSJDFVINLKL-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976164 1097023309 /nfs/dbraw/zinc/02/33/09/1097023309.db2.gz ITZDSJDFVINLKL-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976164 1097023312 /nfs/dbraw/zinc/02/33/12/1097023312.db2.gz ITZDSJDFVINLKL-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978073 1097024443 /nfs/dbraw/zinc/02/44/43/1097024443.db2.gz WLXQNPWBUZUTIZ-UHOSZYNNSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978073 1097024448 /nfs/dbraw/zinc/02/44/48/1097024448.db2.gz WLXQNPWBUZUTIZ-UHOSZYNNSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978073 1097024451 /nfs/dbraw/zinc/02/44/51/1097024451.db2.gz WLXQNPWBUZUTIZ-UHOSZYNNSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978073 1097024454 /nfs/dbraw/zinc/02/44/54/1097024454.db2.gz WLXQNPWBUZUTIZ-UHOSZYNNSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977398 1097024619 /nfs/dbraw/zinc/02/46/19/1097024619.db2.gz RFPYHZKRYGDHNI-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977398 1097024623 /nfs/dbraw/zinc/02/46/23/1097024623.db2.gz RFPYHZKRYGDHNI-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977398 1097024627 /nfs/dbraw/zinc/02/46/27/1097024627.db2.gz RFPYHZKRYGDHNI-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977398 1097024629 /nfs/dbraw/zinc/02/46/29/1097024629.db2.gz RFPYHZKRYGDHNI-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976756 1097025562 /nfs/dbraw/zinc/02/55/62/1097025562.db2.gz NLHKWHULGAAGQM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976756 1097025567 /nfs/dbraw/zinc/02/55/67/1097025567.db2.gz NLHKWHULGAAGQM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976756 1097025571 /nfs/dbraw/zinc/02/55/71/1097025571.db2.gz NLHKWHULGAAGQM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976756 1097025578 /nfs/dbraw/zinc/02/55/78/1097025578.db2.gz NLHKWHULGAAGQM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(CO)CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977444 1097026186 /nfs/dbraw/zinc/02/61/86/1097026186.db2.gz RISWKYRSXIFGBF-QUCCMNQESA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(CO)CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977444 1097026191 /nfs/dbraw/zinc/02/61/91/1097026191.db2.gz RISWKYRSXIFGBF-QUCCMNQESA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(CO)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977444 1097026197 /nfs/dbraw/zinc/02/61/97/1097026197.db2.gz RISWKYRSXIFGBF-QUCCMNQESA-N 2 1 316.489 3.134 20 0 DGADMP C[C@]1(CO)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977444 1097026204 /nfs/dbraw/zinc/02/62/04/1097026204.db2.gz RISWKYRSXIFGBF-QUCCMNQESA-N 2 1 316.489 3.134 20 0 DGADMP CCN(CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976935 1097026724 /nfs/dbraw/zinc/02/67/24/1097026724.db2.gz OVKUUZCSNYVRKY-IBGZPJMESA-N 2 1 317.521 3.313 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCc2ncccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983549 1097027133 /nfs/dbraw/zinc/02/71/33/1097027133.db2.gz PFIDLLVWABVWOZ-SFHVURJKSA-N 2 1 324.472 3.052 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCc2ncccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983548 1097027590 /nfs/dbraw/zinc/02/75/90/1097027590.db2.gz PFIDLLVWABVWOZ-GOSISDBHSA-N 2 1 324.472 3.052 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCOC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171984336 1097027898 /nfs/dbraw/zinc/02/78/98/1097027898.db2.gz UXFZQEFFZVTYER-KZNAEPCWSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCOC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171984336 1097027904 /nfs/dbraw/zinc/02/79/04/1097027904.db2.gz UXFZQEFFZVTYER-KZNAEPCWSA-N 2 1 320.452 3.146 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC001171979988 1097028134 /nfs/dbraw/zinc/02/81/34/1097028134.db2.gz RUPUBJWMDPCLFW-NVXWUHKLSA-N 2 1 304.478 3.179 20 0 DGADMP C[N@@H+](CC1(C)COC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985578 1097028793 /nfs/dbraw/zinc/02/87/93/1097028793.db2.gz YGHRYANVLLNNLB-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](CC1(C)COC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985578 1097028800 /nfs/dbraw/zinc/02/88/00/1097028800.db2.gz YGHRYANVLLNNLB-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](CC1(C)COC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985578 1097028807 /nfs/dbraw/zinc/02/88/07/1097028807.db2.gz YGHRYANVLLNNLB-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206154425 1097036685 /nfs/dbraw/zinc/03/66/85/1097036685.db2.gz IYWOHXMYPKJAFT-UONOGXRCSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206154425 1097036690 /nfs/dbraw/zinc/03/66/90/1097036690.db2.gz IYWOHXMYPKJAFT-UONOGXRCSA-N 2 1 304.331 3.009 20 0 DGADMP C[C@@H](C[NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077483 1097037818 /nfs/dbraw/zinc/03/78/18/1097037818.db2.gz UJGHMOPXYJJKTI-IJXRJRJASA-N 2 1 315.505 3.099 20 0 DGADMP Cc1cnc(C[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073174 1097038330 /nfs/dbraw/zinc/03/83/30/1097038330.db2.gz OVUJQDVQTROXTH-BWTSREIZSA-N 2 1 324.472 3.408 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2ccnnc2)C3)cc1 ZINC001172063898 1097042807 /nfs/dbraw/zinc/04/28/07/1097042807.db2.gz DWYPEFNIGZNPGL-ACDBMABISA-N 2 1 322.456 3.152 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2ccnnc2)C3)cc1 ZINC001172063898 1097042814 /nfs/dbraw/zinc/04/28/14/1097042814.db2.gz DWYPEFNIGZNPGL-ACDBMABISA-N 2 1 322.456 3.152 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCO2)C3)cc1 ZINC001172064922 1097043817 /nfs/dbraw/zinc/04/38/17/1097043817.db2.gz IUTOGTFESWHFDA-HAGHYFMRSA-N 2 1 314.473 3.341 20 0 DGADMP [NH3+]Cc1cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172064930 1097044141 /nfs/dbraw/zinc/04/41/41/1097044141.db2.gz IYWMGHJBRPSOMK-BWTSREIZSA-N 2 1 310.445 3.100 20 0 DGADMP COC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064083 1097044352 /nfs/dbraw/zinc/04/43/52/1097044352.db2.gz FKWMTGKMUFQFAC-OQIJWPOYSA-N 2 1 302.462 3.197 20 0 DGADMP COc1ccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001172127213 1097047092 /nfs/dbraw/zinc/04/70/92/1097047092.db2.gz HKRBCJBPIWBVTK-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC001172127213 1097047094 /nfs/dbraw/zinc/04/70/94/1097047094.db2.gz HKRBCJBPIWBVTK-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001172127213 1097047107 /nfs/dbraw/zinc/04/71/07/1097047107.db2.gz HKRBCJBPIWBVTK-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001172130040 1097049804 /nfs/dbraw/zinc/04/98/04/1097049804.db2.gz NEZVSJDTEUIYFA-BJWYYQGGSA-N 2 1 306.494 3.425 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001172130040 1097049810 /nfs/dbraw/zinc/04/98/10/1097049810.db2.gz NEZVSJDTEUIYFA-BJWYYQGGSA-N 2 1 306.494 3.425 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nc(-c3ccccc3)cc1C[NH3+])C2 ZINC001172101961 1097052474 /nfs/dbraw/zinc/05/24/74/1097052474.db2.gz IMGTWSTVRSXKDX-FVQHAEBGSA-N 2 1 310.445 3.197 20 0 DGADMP COc1ccc(O[C@@H](C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172104081 1097052883 /nfs/dbraw/zinc/05/28/83/1097052883.db2.gz ZQOYGUBPNGDYRF-NXOAAHMSSA-N 2 1 318.461 3.067 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001172102275 1097053134 /nfs/dbraw/zinc/05/31/34/1097053134.db2.gz LOVUBPWZVOJWHT-OSYLJGHBSA-N 2 1 311.429 3.447 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001172102275 1097053138 /nfs/dbraw/zinc/05/31/38/1097053138.db2.gz LOVUBPWZVOJWHT-OSYLJGHBSA-N 2 1 311.429 3.447 20 0 DGADMP COc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172107755 1097054117 /nfs/dbraw/zinc/05/41/17/1097054117.db2.gz BRZOQJWRKLIGQM-BJWYYQGGSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172107755 1097054123 /nfs/dbraw/zinc/05/41/23/1097054123.db2.gz BRZOQJWRKLIGQM-BJWYYQGGSA-N 2 1 300.446 3.289 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)C2 ZINC001172105794 1097054567 /nfs/dbraw/zinc/05/45/67/1097054567.db2.gz KMHNQOVUQWIXOZ-ILYVXUQDSA-N 3 1 307.526 3.135 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)C2 ZINC001172105794 1097054571 /nfs/dbraw/zinc/05/45/71/1097054571.db2.gz KMHNQOVUQWIXOZ-ILYVXUQDSA-N 3 1 307.526 3.135 20 0 DGADMP CCCC[NH+](CCCC)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108728 1097054967 /nfs/dbraw/zinc/05/49/67/1097054967.db2.gz YOCYDEBLBUYRNF-REPLKXPHSA-N 2 1 309.542 3.494 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172112785 1097055194 /nfs/dbraw/zinc/05/51/94/1097055194.db2.gz CKQSQRYCDKBPBJ-OWZKRDHZSA-N 2 1 319.537 3.246 20 0 DGADMP COc1cc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)ccn1 ZINC001172110827 1097056912 /nfs/dbraw/zinc/05/69/12/1097056912.db2.gz PTLZSIAQJCJVAB-BMFAXAFESA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)ccn1 ZINC001172110827 1097056917 /nfs/dbraw/zinc/05/69/17/1097056917.db2.gz PTLZSIAQJCJVAB-BMFAXAFESA-N 2 1 315.461 3.146 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3ccccc3)cn1)C2 ZINC001172110592 1097057644 /nfs/dbraw/zinc/05/76/44/1097057644.db2.gz KTTZJQVQSUCQHB-FNLKRUPLSA-N 2 1 324.472 3.036 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3ccccc3)cn1)C2 ZINC001172110592 1097057649 /nfs/dbraw/zinc/05/76/49/1097057649.db2.gz KTTZJQVQSUCQHB-FNLKRUPLSA-N 2 1 324.472 3.036 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)O)C2 ZINC001172113457 1097058172 /nfs/dbraw/zinc/05/81/72/1097058172.db2.gz HGNVUEMKUBWGQT-MHORFTMASA-N 2 1 302.462 3.104 20 0 DGADMP Cc1ccnc(C(C)(C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112389 1097058993 /nfs/dbraw/zinc/05/89/93/1097058993.db2.gz WJBSGYCTCXBUDG-BJWYYQGGSA-N 2 1 301.478 3.273 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117810 1097062839 /nfs/dbraw/zinc/06/28/39/1097062839.db2.gz NGYLHXRUVUNIMG-ONXZOORISA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117810 1097062842 /nfs/dbraw/zinc/06/28/42/1097062842.db2.gz NGYLHXRUVUNIMG-ONXZOORISA-N 3 1 307.526 3.244 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C2 ZINC001172122076 1097063081 /nfs/dbraw/zinc/06/30/81/1097063081.db2.gz WOHXYCXPCXWDJQ-RKQHYHRCSA-N 2 1 308.363 3.082 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C2 ZINC001172122076 1097063088 /nfs/dbraw/zinc/06/30/88/1097063088.db2.gz WOHXYCXPCXWDJQ-RKQHYHRCSA-N 2 1 308.363 3.082 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C2 ZINC001172122076 1097063093 /nfs/dbraw/zinc/06/30/93/1097063093.db2.gz WOHXYCXPCXWDJQ-RKQHYHRCSA-N 2 1 308.363 3.082 20 0 DGADMP COc1ccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120967 1097063797 /nfs/dbraw/zinc/06/37/97/1097063797.db2.gz AWGCWDGENYKAGU-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120967 1097063803 /nfs/dbraw/zinc/06/38/03/1097063803.db2.gz AWGCWDGENYKAGU-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172120967 1097063808 /nfs/dbraw/zinc/06/38/08/1097063808.db2.gz AWGCWDGENYKAGU-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172120967 1097063812 /nfs/dbraw/zinc/06/38/12/1097063812.db2.gz AWGCWDGENYKAGU-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001172123490 1097066639 /nfs/dbraw/zinc/06/66/39/1097066639.db2.gz DKUDRTDYHPQTKY-KNJMJIDISA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)C2 ZINC001172123490 1097066644 /nfs/dbraw/zinc/06/66/44/1097066644.db2.gz DKUDRTDYHPQTKY-KNJMJIDISA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)C2 ZINC001172123490 1097066650 /nfs/dbraw/zinc/06/66/50/1097066650.db2.gz DKUDRTDYHPQTKY-KNJMJIDISA-N 3 1 319.537 3.341 20 0 DGADMP CCOC(=O)CCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122359 1097066804 /nfs/dbraw/zinc/06/68/04/1097066804.db2.gz PKGFSZRFQBNPQK-PIIMJCKOSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)CCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122359 1097066810 /nfs/dbraw/zinc/06/68/10/1097066810.db2.gz PKGFSZRFQBNPQK-PIIMJCKOSA-N 2 1 322.493 3.057 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCC2 ZINC001172122442 1097067132 /nfs/dbraw/zinc/06/71/32/1097067132.db2.gz BBMRNRCZNHRYGM-REPLKXPHSA-N 2 1 314.473 3.459 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172122442 1097067137 /nfs/dbraw/zinc/06/71/37/1097067137.db2.gz BBMRNRCZNHRYGM-REPLKXPHSA-N 2 1 314.473 3.459 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172122442 1097067143 /nfs/dbraw/zinc/06/71/43/1097067143.db2.gz BBMRNRCZNHRYGM-REPLKXPHSA-N 2 1 314.473 3.459 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2)CC1 ZINC001172253511 1097092381 /nfs/dbraw/zinc/09/23/81/1097092381.db2.gz SEBVEZOEYUJGPM-UXBLZVDNSA-N 2 1 302.462 3.133 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC001172253511 1097092387 /nfs/dbraw/zinc/09/23/87/1097092387.db2.gz SEBVEZOEYUJGPM-UXBLZVDNSA-N 2 1 302.462 3.133 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172253558 1097092811 /nfs/dbraw/zinc/09/28/11/1097092811.db2.gz UGBGXGWCVJLUTL-UHFFFAOYSA-N 2 1 308.441 3.149 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172253558 1097092816 /nfs/dbraw/zinc/09/28/16/1097092816.db2.gz UGBGXGWCVJLUTL-UHFFFAOYSA-N 2 1 308.441 3.149 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC001172250581 1097092960 /nfs/dbraw/zinc/09/29/60/1097092960.db2.gz SJRZPFYVKBAJJT-UHFFFAOYSA-N 2 1 320.452 3.295 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163865 1097094104 /nfs/dbraw/zinc/09/41/04/1097094104.db2.gz GXACGUUJVNFKBO-QZTJIDSGSA-N 2 1 316.420 3.500 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163865 1097094110 /nfs/dbraw/zinc/09/41/10/1097094110.db2.gz GXACGUUJVNFKBO-QZTJIDSGSA-N 2 1 316.420 3.500 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378596 1097113686 /nfs/dbraw/zinc/11/36/86/1097113686.db2.gz PKUXFXJCMYDRFR-BRWVUGGUSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378596 1097113689 /nfs/dbraw/zinc/11/36/89/1097113689.db2.gz PKUXFXJCMYDRFR-BRWVUGGUSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378596 1097113693 /nfs/dbraw/zinc/11/36/93/1097113693.db2.gz PKUXFXJCMYDRFR-BRWVUGGUSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378596 1097113697 /nfs/dbraw/zinc/11/36/97/1097113697.db2.gz PKUXFXJCMYDRFR-BRWVUGGUSA-N 2 1 318.509 3.364 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)CCOC(C)C)CC1 ZINC001172451778 1097159347 /nfs/dbraw/zinc/15/93/47/1097159347.db2.gz NDNBUUCQEMVRQK-OAHLLOKOSA-N 2 1 305.466 3.132 20 0 DGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)CCOCC(C)C)CC1 ZINC001172461120 1097161681 /nfs/dbraw/zinc/16/16/81/1097161681.db2.gz ZAAWHSAIVZWASC-KRWDZBQOSA-N 2 1 319.493 3.400 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172575476 1097185104 /nfs/dbraw/zinc/18/51/04/1097185104.db2.gz IAYLVZFNBZIYLH-MNOVXSKESA-N 2 1 304.812 3.466 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172747235 1097224124 /nfs/dbraw/zinc/22/41/24/1097224124.db2.gz ZWEUUZXBFUDYDG-WMZOPIPTSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172747235 1097224126 /nfs/dbraw/zinc/22/41/26/1097224126.db2.gz ZWEUUZXBFUDYDG-WMZOPIPTSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172756218 1097231054 /nfs/dbraw/zinc/23/10/54/1097231054.db2.gz MESOKZNOVFNDFD-IXDOHACOSA-N 2 1 312.498 3.064 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001172767671 1097235774 /nfs/dbraw/zinc/23/57/74/1097235774.db2.gz JMANQEKFNLTPAR-RDJZCZTQSA-N 2 1 310.482 3.092 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172775078 1097237547 /nfs/dbraw/zinc/23/75/47/1097237547.db2.gz FGBYXFINGWBPLH-XSLAGTTESA-N 2 1 324.509 3.336 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172874020 1097272564 /nfs/dbraw/zinc/27/25/64/1097272564.db2.gz ZQCAEZNUIWWGCW-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172874020 1097272568 /nfs/dbraw/zinc/27/25/68/1097272568.db2.gz ZQCAEZNUIWWGCW-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172874020 1097272572 /nfs/dbraw/zinc/27/25/72/1097272572.db2.gz ZQCAEZNUIWWGCW-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172874020 1097272575 /nfs/dbraw/zinc/27/25/75/1097272575.db2.gz ZQCAEZNUIWWGCW-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001172927291 1097283517 /nfs/dbraw/zinc/28/35/17/1097283517.db2.gz FOLWFRNKVLUODF-IAGOWNOFSA-N 2 1 306.425 3.033 20 0 DGADMP CO[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001172927292 1097283580 /nfs/dbraw/zinc/28/35/80/1097283580.db2.gz FOLWFRNKVLUODF-IRXDYDNUSA-N 2 1 306.425 3.033 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927046 1097283609 /nfs/dbraw/zinc/28/36/09/1097283609.db2.gz CWEXDKJYRRBEFS-NXWXRZEISA-N 2 1 317.477 3.111 20 0 DGADMP c1[nH+]cn(C2CCC3(CCOCC3)CC2)c1C1CC[NH2+]CC1 ZINC001173051998 1097313082 /nfs/dbraw/zinc/31/30/82/1097313082.db2.gz SAADQOOHHLLVQM-UHFFFAOYSA-N 2 1 303.450 3.262 20 0 DGADMP CCCC[N@@H+](CC(=O)OCC)C1CCC([NH+](CC)CC)CC1 ZINC001173113180 1097332642 /nfs/dbraw/zinc/33/26/42/1097332642.db2.gz KONUUBXDCCMNKD-UHFFFAOYSA-N 2 1 312.498 3.305 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CCO)Cc2cccs2)CC1 ZINC001173111406 1097333161 /nfs/dbraw/zinc/33/31/61/1097333161.db2.gz FBDJLDVOTWYUER-UHFFFAOYSA-N 2 1 310.507 3.195 20 0 DGADMP CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173111266 1097333252 /nfs/dbraw/zinc/33/32/52/1097333252.db2.gz ACVNVELFTOVKIL-DAWZGUTISA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@H](c3ccccn3)C2)CC1 ZINC001173114995 1097333709 /nfs/dbraw/zinc/33/37/09/1097333709.db2.gz VLUXAWMULFQYMQ-TVPLGVNVSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1cccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1)[NH+](C)C ZINC001229621632 1097354285 /nfs/dbraw/zinc/35/42/85/1097354285.db2.gz HYYXIQKQUSJVKK-NWGLXNPWSA-N 2 1 302.462 3.418 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173326 1097354651 /nfs/dbraw/zinc/35/46/51/1097354651.db2.gz HZMGRKKUPGXAJX-SXLOBPIMSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173326 1097354653 /nfs/dbraw/zinc/35/46/53/1097354653.db2.gz HZMGRKKUPGXAJX-SXLOBPIMSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173326 1097354659 /nfs/dbraw/zinc/35/46/59/1097354659.db2.gz HZMGRKKUPGXAJX-SXLOBPIMSA-N 2 1 314.473 3.152 20 0 DGADMP Cn1c[nH+]c2cccc(Nc3cccc(N4CC[NH+](C)CC4)c3)c21 ZINC001212716212 1097395560 /nfs/dbraw/zinc/39/55/60/1097395560.db2.gz XERAWQSPOLXHNL-UHFFFAOYSA-N 2 1 321.428 3.069 20 0 DGADMP CCSC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173306525 1097405738 /nfs/dbraw/zinc/40/57/38/1097405738.db2.gz VREAWPKKYJRIKV-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP CCSC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173306525 1097405743 /nfs/dbraw/zinc/40/57/43/1097405743.db2.gz VREAWPKKYJRIKV-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP CCSC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173306525 1097405745 /nfs/dbraw/zinc/40/57/45/1097405745.db2.gz VREAWPKKYJRIKV-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001173440282 1097440325 /nfs/dbraw/zinc/44/03/25/1097440325.db2.gz ALCZUHKZCOAUKQ-JKSUJKDBSA-N 2 1 310.482 3.105 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001173440282 1097440329 /nfs/dbraw/zinc/44/03/29/1097440329.db2.gz ALCZUHKZCOAUKQ-JKSUJKDBSA-N 2 1 310.482 3.105 20 0 DGADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173599882 1097469303 /nfs/dbraw/zinc/46/93/03/1097469303.db2.gz SPWPEGLPNWYQAJ-TVRKMHQQSA-N 2 1 324.509 3.210 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629879 1097477526 /nfs/dbraw/zinc/47/75/26/1097477526.db2.gz CMWPWVRMDCIOGR-JOCBIADPSA-N 2 1 322.493 3.233 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001230360184 1097481491 /nfs/dbraw/zinc/48/14/91/1097481491.db2.gz UQVXYGGMUKAIKG-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700472 1097497667 /nfs/dbraw/zinc/49/76/67/1097497667.db2.gz JBKAYJLUXCQHDR-IBGZPJMESA-N 2 1 324.468 3.450 20 0 DGADMP Nc1[nH+]c2ccccc2n1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001174392798 1097688171 /nfs/dbraw/zinc/68/81/71/1097688171.db2.gz KQLCRIBPQOOPPK-UHFFFAOYSA-N 2 1 304.397 3.365 20 0 DGADMP Nc1[nH+]c2ccccc2n1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174392798 1097688176 /nfs/dbraw/zinc/68/81/76/1097688176.db2.gz KQLCRIBPQOOPPK-UHFFFAOYSA-N 2 1 304.397 3.365 20 0 DGADMP CN(C)c1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001174395151 1097689619 /nfs/dbraw/zinc/68/96/19/1097689619.db2.gz UGVJBTWGMIQELT-UHFFFAOYSA-N 2 1 308.429 3.349 20 0 DGADMP CCOc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ccc1C ZINC001277524307 1097761754 /nfs/dbraw/zinc/76/17/54/1097761754.db2.gz GCPUWWZCHZMZIU-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP COCCCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001231504519 1097767144 /nfs/dbraw/zinc/76/71/44/1097767144.db2.gz IALAPXPWUVVKJH-UHFFFAOYSA-N 2 1 320.477 3.020 20 0 DGADMP COCCCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001231504519 1097767148 /nfs/dbraw/zinc/76/71/48/1097767148.db2.gz IALAPXPWUVVKJH-UHFFFAOYSA-N 2 1 320.477 3.020 20 0 DGADMP c1[nH]nc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc12 ZINC001231906457 1097888602 /nfs/dbraw/zinc/88/86/02/1097888602.db2.gz HAZYKFWPCGHKOR-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]nc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc12 ZINC001231906457 1097888610 /nfs/dbraw/zinc/88/86/10/1097888610.db2.gz HAZYKFWPCGHKOR-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013663 1097916543 /nfs/dbraw/zinc/91/65/43/1097916543.db2.gz CTLCKNHXPLIUAF-UHFFFAOYSA-N 2 1 308.385 3.053 20 0 DGADMP CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011226 1097916966 /nfs/dbraw/zinc/91/69/66/1097916966.db2.gz JLVCOOMESLOWFN-AWEZNQCLSA-N 2 1 317.389 3.089 20 0 DGADMP CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011226 1097916971 /nfs/dbraw/zinc/91/69/71/1097916971.db2.gz JLVCOOMESLOWFN-AWEZNQCLSA-N 2 1 317.389 3.089 20 0 DGADMP Cc1ncncc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277607607 1097930207 /nfs/dbraw/zinc/93/02/07/1097930207.db2.gz RVLAJBLGIYMXID-UHFFFAOYSA-N 2 1 314.477 3.016 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3ccncc3[nH]2)CC1 ZINC001232098725 1097937902 /nfs/dbraw/zinc/93/79/02/1097937902.db2.gz OOHTUNVUKZAGJB-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3ccncc3[nH]2)CC1 ZINC001232098725 1097937907 /nfs/dbraw/zinc/93/79/07/1097937907.db2.gz OOHTUNVUKZAGJB-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C[C@@H]21 ZINC001232147984 1097950324 /nfs/dbraw/zinc/95/03/24/1097950324.db2.gz UWNHJHYWSZGKTR-NEWSRXKRSA-N 2 1 320.452 3.134 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001232145180 1097950568 /nfs/dbraw/zinc/95/05/68/1097950568.db2.gz XCDUSUJZYBCRCK-GASCZTMLSA-N 2 1 312.379 3.364 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001232148338 1097951380 /nfs/dbraw/zinc/95/13/80/1097951380.db2.gz BOEAOAMAIKZZFA-UHFFFAOYSA-N 2 1 320.452 3.421 20 0 DGADMP FC(F)C[N@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277644286 1097997521 /nfs/dbraw/zinc/99/75/21/1097997521.db2.gz HWWCRDLFIGVPBC-TXEJJXNPSA-N 2 1 314.342 3.238 20 0 DGADMP FC(F)C[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277644286 1097997531 /nfs/dbraw/zinc/99/75/31/1097997531.db2.gz HWWCRDLFIGVPBC-TXEJJXNPSA-N 2 1 314.342 3.238 20 0 DGADMP FC(F)C[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277644286 1097997541 /nfs/dbraw/zinc/99/75/41/1097997541.db2.gz HWWCRDLFIGVPBC-TXEJJXNPSA-N 2 1 314.342 3.238 20 0 DGADMP FC(F)C[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277644286 1097997550 /nfs/dbraw/zinc/99/75/50/1097997550.db2.gz HWWCRDLFIGVPBC-TXEJJXNPSA-N 2 1 314.342 3.238 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175349284 1098001618 /nfs/dbraw/zinc/00/16/18/1098001618.db2.gz DTDKAZGCSPWZIQ-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175349284 1098001625 /nfs/dbraw/zinc/00/16/25/1098001625.db2.gz DTDKAZGCSPWZIQ-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP CSc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)cn1 ZINC001232331566 1098007125 /nfs/dbraw/zinc/00/71/25/1098007125.db2.gz UFHWZHIXRPPCFE-HNNXBMFYSA-N 2 1 315.442 3.160 20 0 DGADMP CSc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)cn1 ZINC001232331566 1098007129 /nfs/dbraw/zinc/00/71/29/1098007129.db2.gz UFHWZHIXRPPCFE-HNNXBMFYSA-N 2 1 315.442 3.160 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001232468909 1098048566 /nfs/dbraw/zinc/04/85/66/1098048566.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001232468909 1098048570 /nfs/dbraw/zinc/04/85/70/1098048570.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001232468909 1098048573 /nfs/dbraw/zinc/04/85/73/1098048573.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468909 1098048579 /nfs/dbraw/zinc/04/85/79/1098048579.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468909 1098048585 /nfs/dbraw/zinc/04/85/85/1098048585.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468909 1098048590 /nfs/dbraw/zinc/04/85/90/1098048590.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468909 1098048595 /nfs/dbraw/zinc/04/85/95/1098048595.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccnc1N1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277708195 1098125684 /nfs/dbraw/zinc/12/56/84/1098125684.db2.gz SRCBRVMXCYXLAK-UHFFFAOYSA-N 2 1 310.445 3.211 20 0 DGADMP C[NH2+][C@@]12CC[C@@](Nc3nc(NCC4CC4)c(C)c[nH+]3)(C1)CCC2 ZINC001277742624 1098190564 /nfs/dbraw/zinc/19/05/64/1098190564.db2.gz AMATZNPPRPEDCW-ZWKOTPCHSA-N 2 1 315.465 3.084 20 0 DGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025205 1098236253 /nfs/dbraw/zinc/23/62/53/1098236253.db2.gz ZHBCOPKXQGLQKC-INIZCTEOSA-N 2 1 313.530 3.029 20 0 DGADMP CCC[N@H+]1CCc2c(N)sc(Nc3cc(C)[nH+]c(C)c3)c2C1 ZINC001176051601 1098251705 /nfs/dbraw/zinc/25/17/05/1098251705.db2.gz GVMWMSHNIMWZLP-UHFFFAOYSA-N 2 1 316.474 3.276 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnn2ccccc12 ZINC001233239892 1098261915 /nfs/dbraw/zinc/26/19/15/1098261915.db2.gz WQHDHNZFWBQRLF-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnn2ccccc12 ZINC001233239892 1098261920 /nfs/dbraw/zinc/26/19/20/1098261920.db2.gz WQHDHNZFWBQRLF-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnn2ccccc12 ZINC001233239892 1098261923 /nfs/dbraw/zinc/26/19/23/1098261923.db2.gz WQHDHNZFWBQRLF-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnn2ccccc12 ZINC001233239892 1098261928 /nfs/dbraw/zinc/26/19/28/1098261928.db2.gz WQHDHNZFWBQRLF-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC ZINC001176268859 1098310089 /nfs/dbraw/zinc/31/00/89/1098310089.db2.gz NLNVPMXCVKATFZ-IRXDYDNUSA-N 2 1 313.530 3.029 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001206269681 1098324102 /nfs/dbraw/zinc/32/41/02/1098324102.db2.gz RMOYTDMIAUPTQN-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3cc(C)c(C)s3)CC2)CC1 ZINC001233700654 1098412604 /nfs/dbraw/zinc/41/26/04/1098412604.db2.gz QFKHSAUFNWDQTO-UHFFFAOYSA-N 2 1 322.518 3.440 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176753379 1098433872 /nfs/dbraw/zinc/43/38/72/1098433872.db2.gz HEVCTXMCZNBQMP-QGZVFWFLSA-N 2 1 323.525 3.092 20 0 DGADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)c(C2CCCCC2)n1 ZINC001177093916 1098476446 /nfs/dbraw/zinc/47/64/46/1098476446.db2.gz VQOFQIGVXLKHCN-UHFFFAOYSA-N 2 1 306.498 3.145 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177231567 1098498109 /nfs/dbraw/zinc/49/81/09/1098498109.db2.gz VVKYJKJAQMTEPR-IEBWSBKVSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001177231567 1098498111 /nfs/dbraw/zinc/49/81/11/1098498111.db2.gz VVKYJKJAQMTEPR-IEBWSBKVSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001177231567 1098498114 /nfs/dbraw/zinc/49/81/14/1098498114.db2.gz VVKYJKJAQMTEPR-IEBWSBKVSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@H](CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC001177328875 1098517800 /nfs/dbraw/zinc/51/78/00/1098517800.db2.gz TUDHCAOVDLDOMT-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC001177328875 1098517809 /nfs/dbraw/zinc/51/78/09/1098517809.db2.gz TUDHCAOVDLDOMT-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cncc2Cl)CC1 ZINC001206303018 1098527455 /nfs/dbraw/zinc/52/74/55/1098527455.db2.gz AGXYTLLEQBOFRS-CQSZACIVSA-N 2 1 302.249 3.339 20 0 DGADMP CN1CC[NH+](Cc2cccc(C[NH2+]CC3CCCCC3)c2)CC1 ZINC001177638205 1098572036 /nfs/dbraw/zinc/57/20/36/1098572036.db2.gz VHYNUHPEVNLPDX-UHFFFAOYSA-N 2 1 315.505 3.104 20 0 DGADMP C[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)CC1(C)C ZINC001177669333 1098574416 /nfs/dbraw/zinc/57/44/16/1098574416.db2.gz VOCRFFNYROMFOZ-MOPGFXCFSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1(C)C ZINC001177669333 1098574424 /nfs/dbraw/zinc/57/44/24/1098574424.db2.gz VOCRFFNYROMFOZ-MOPGFXCFSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1(C)C ZINC001177669333 1098574432 /nfs/dbraw/zinc/57/44/32/1098574432.db2.gz VOCRFFNYROMFOZ-MOPGFXCFSA-N 2 1 321.553 3.494 20 0 DGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045755 1098685875 /nfs/dbraw/zinc/68/58/75/1098685875.db2.gz UOFCMWDPPQZOOD-OOFWQKGWSA-N 2 1 323.525 3.093 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1F ZINC001206318158 1098723565 /nfs/dbraw/zinc/72/35/65/1098723565.db2.gz NNONRFFPUOGHSV-KRWDZBQOSA-N 2 1 312.404 3.314 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC001234979064 1098731610 /nfs/dbraw/zinc/73/16/10/1098731610.db2.gz NNABMCAOLQLNBZ-GASCZTMLSA-N 2 1 314.454 3.075 20 0 DGADMP CC(C)=CCCC1=CC[C@@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001234978589 1098732139 /nfs/dbraw/zinc/73/21/39/1098732139.db2.gz AUDWDPQMOUSONH-UXHICEINSA-N 2 1 317.521 3.097 20 0 DGADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC001234977983 1098732434 /nfs/dbraw/zinc/73/24/34/1098732434.db2.gz FBFZMPPUHIVMAX-KDURUIRLSA-N 2 1 321.468 3.414 20 0 DGADMP CCSCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277914838 1098739409 /nfs/dbraw/zinc/73/94/09/1098739409.db2.gz YIJRLTWOVQCNGH-UHFFFAOYSA-N 2 1 321.534 3.446 20 0 DGADMP CCCCCCc1csc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234993833 1098739426 /nfs/dbraw/zinc/73/94/26/1098739426.db2.gz PNHNYDKWTNPILF-GOSISDBHSA-N 2 1 321.534 3.008 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)[nH]c2c1 ZINC001234998300 1098740832 /nfs/dbraw/zinc/74/08/32/1098740832.db2.gz HLFGWMADBXAMCP-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)[nH]c2c1 ZINC001234998300 1098740837 /nfs/dbraw/zinc/74/08/37/1098740837.db2.gz HLFGWMADBXAMCP-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235031842 1098762883 /nfs/dbraw/zinc/76/28/83/1098762883.db2.gz PEIJTVVILJJQPO-QUCCMNQESA-N 2 1 320.521 3.340 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235036155 1098763950 /nfs/dbraw/zinc/76/39/50/1098763950.db2.gz IVQJYQHPZPHMCZ-HXUWFJFHSA-N 2 1 324.424 3.370 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235036155 1098763961 /nfs/dbraw/zinc/76/39/61/1098763961.db2.gz IVQJYQHPZPHMCZ-HXUWFJFHSA-N 2 1 324.424 3.370 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235036152 1098764021 /nfs/dbraw/zinc/76/40/21/1098764021.db2.gz IVQJYQHPZPHMCZ-FQEVSTJZSA-N 2 1 324.424 3.370 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235036152 1098764032 /nfs/dbraw/zinc/76/40/32/1098764032.db2.gz IVQJYQHPZPHMCZ-FQEVSTJZSA-N 2 1 324.424 3.370 20 0 DGADMP CC(C)Oc1ncccc1CC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041817 1098769794 /nfs/dbraw/zinc/76/97/94/1098769794.db2.gz TUXVVCLQPCEHDJ-LJQANCHMSA-N 2 1 317.477 3.019 20 0 DGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235052399 1098776178 /nfs/dbraw/zinc/77/61/78/1098776178.db2.gz FBAGOGFXJGMIPT-WOJBJXKFSA-N 2 1 317.521 3.097 20 0 DGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235091844 1098792769 /nfs/dbraw/zinc/79/27/69/1098792769.db2.gz HTTIFHROXWHAKB-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235091844 1098792779 /nfs/dbraw/zinc/79/27/79/1098792779.db2.gz HTTIFHROXWHAKB-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP c1cc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1OCC2 ZINC001235151959 1098837279 /nfs/dbraw/zinc/83/72/79/1098837279.db2.gz KNFJWXJVMODZOF-IBGZPJMESA-N 2 1 314.473 3.018 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CCCO2 ZINC001235152272 1098837560 /nfs/dbraw/zinc/83/75/60/1098837560.db2.gz GGPLETZFEKOCTN-LJQANCHMSA-N 2 1 314.473 3.366 20 0 DGADMP COc1ccc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235150865 1098837840 /nfs/dbraw/zinc/83/78/40/1098837840.db2.gz ARRJKXPADBSDMB-LJQANCHMSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(C)cc1O ZINC001235154330 1098840052 /nfs/dbraw/zinc/84/00/52/1098840052.db2.gz KVXMSLUBMBLKQY-SFHVURJKSA-N 2 1 302.462 3.363 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Cl)cn1 ZINC001235156265 1098841600 /nfs/dbraw/zinc/84/16/00/1098841600.db2.gz NVPZMQIQZIBCEJ-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178468288 1098842251 /nfs/dbraw/zinc/84/22/51/1098842251.db2.gz QZVAPKUHSBBQBD-SFHVURJKSA-N 2 1 323.525 3.092 20 0 DGADMP c1cnn(-c2ccccc2C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235159240 1098844483 /nfs/dbraw/zinc/84/44/83/1098844483.db2.gz VZAWUBJNHVBSJU-LJQANCHMSA-N 2 1 324.472 3.226 20 0 DGADMP COc1c(F)cccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160494 1098844593 /nfs/dbraw/zinc/84/45/93/1098844593.db2.gz POFTUNNAHNVSGL-KRWDZBQOSA-N 2 1 306.425 3.188 20 0 DGADMP Fc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158641 1098845227 /nfs/dbraw/zinc/84/52/27/1098845227.db2.gz LUZPKAHFYIJGKL-SFHVURJKSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2c(c1)[nH]nc2C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158641 1098845236 /nfs/dbraw/zinc/84/52/36/1098845236.db2.gz LUZPKAHFYIJGKL-SFHVURJKSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2c(c1)[nH]nc2C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158641 1098845249 /nfs/dbraw/zinc/84/52/49/1098845249.db2.gz LUZPKAHFYIJGKL-SFHVURJKSA-N 2 1 316.424 3.056 20 0 DGADMP COCc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235161665 1098847507 /nfs/dbraw/zinc/84/75/07/1098847507.db2.gz UHQABBKVWXDSRG-IBGZPJMESA-N 2 1 302.462 3.187 20 0 DGADMP COc1ccc(CCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235174694 1098855338 /nfs/dbraw/zinc/85/53/38/1098855338.db2.gz VCFWGHRZLINSFE-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccc(CCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235174694 1098855348 /nfs/dbraw/zinc/85/53/48/1098855348.db2.gz VCFWGHRZLINSFE-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235175508 1098856810 /nfs/dbraw/zinc/85/68/10/1098856810.db2.gz WUXVHXKDIVOJSH-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3F)C[C@H]21 ZINC001235209421 1098879925 /nfs/dbraw/zinc/87/99/25/1098879925.db2.gz OJYQYSZRJCORQY-VQFNDLOPSA-N 2 1 300.352 3.021 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3ccc(F)cc3F)C[C@H]21 ZINC001235209421 1098879933 /nfs/dbraw/zinc/87/99/33/1098879933.db2.gz OJYQYSZRJCORQY-VQFNDLOPSA-N 2 1 300.352 3.021 20 0 DGADMP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC1 ZINC001235225450 1098897924 /nfs/dbraw/zinc/89/79/24/1098897924.db2.gz UISVGAMYGXFBEB-QPSCCSFWSA-N 2 1 302.384 3.063 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc3ccccc31)C2 ZINC001235226174 1098899552 /nfs/dbraw/zinc/89/95/52/1098899552.db2.gz ZPVALGBJUVCJDI-RDJZCZTQSA-N 2 1 320.358 3.424 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235226174 1098899565 /nfs/dbraw/zinc/89/95/65/1098899565.db2.gz ZPVALGBJUVCJDI-RDJZCZTQSA-N 2 1 320.358 3.424 20 0 DGADMP COc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)cc1F ZINC001235235823 1098909039 /nfs/dbraw/zinc/90/90/39/1098909039.db2.gz BIICPNXBPFXBRS-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP COc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Cl)cn1 ZINC001235240088 1098913923 /nfs/dbraw/zinc/91/39/23/1098913923.db2.gz VQMAHJBAMKXNBV-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP Brc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235253667 1098924795 /nfs/dbraw/zinc/92/47/95/1098924795.db2.gz CQSBWMXCXUQKQQ-HOCLYGCPSA-N 2 1 323.278 3.066 20 0 DGADMP Brc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235254319 1098925572 /nfs/dbraw/zinc/92/55/72/1098925572.db2.gz IFBKSPLSSKZJHP-GOEBONIOSA-N 2 1 323.278 3.066 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])ccc1OCc1ccccc1 ZINC001235252983 1098925705 /nfs/dbraw/zinc/92/57/05/1098925705.db2.gz AWOIOKDNOGEBIQ-UFYCRDLUSA-N 2 1 322.452 3.496 20 0 DGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1CCc1ccccc1 ZINC001235256615 1098927429 /nfs/dbraw/zinc/92/74/29/1098927429.db2.gz SGKCFEUNQIBIHQ-ACRUOGEOSA-N 2 1 306.453 3.393 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235262440 1098932949 /nfs/dbraw/zinc/93/29/49/1098932949.db2.gz RDNAUKVXTVEUKJ-SZVBFZGTSA-N 2 1 300.490 3.456 20 0 DGADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC001235284052 1098942596 /nfs/dbraw/zinc/94/25/96/1098942596.db2.gz JIOIJROBTMTSMQ-ACDBMABISA-N 2 1 307.441 3.152 20 0 DGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178833082 1098947037 /nfs/dbraw/zinc/94/70/37/1098947037.db2.gz PAEFLTOJZBZVPT-SHCNBLLESA-N 2 1 323.525 3.093 20 0 DGADMP CC(C)Oc1cc(F)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(F)c1 ZINC001235336858 1098962648 /nfs/dbraw/zinc/96/26/48/1098962648.db2.gz CGDRASABKDDVQG-UHFFFAOYSA-N 2 1 324.415 3.183 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235340444 1098964400 /nfs/dbraw/zinc/96/44/00/1098964400.db2.gz JBWBQBUIQXWEGY-KRWDZBQOSA-N 2 1 302.462 3.132 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)c(F)c(F)c3F)C2)CC1 ZINC001235353103 1098975762 /nfs/dbraw/zinc/97/57/62/1098975762.db2.gz ZLGWOHNQDIAZFW-UHFFFAOYSA-N 2 1 316.342 3.161 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)c(F)c(F)c3F)C2)CC1 ZINC001235353103 1098975769 /nfs/dbraw/zinc/97/57/69/1098975769.db2.gz ZLGWOHNQDIAZFW-UHFFFAOYSA-N 2 1 316.342 3.161 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369306 1098983278 /nfs/dbraw/zinc/98/32/78/1098983278.db2.gz YGWHWYHTRHPJMX-ICSRJNTNSA-N 2 1 316.489 3.055 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(C)n1 ZINC001235376753 1098986116 /nfs/dbraw/zinc/98/61/16/1098986116.db2.gz KFEWERGRNCTPLN-RTWAWAEBSA-N 2 1 321.468 3.278 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(C)n1 ZINC001235376753 1098986128 /nfs/dbraw/zinc/98/61/28/1098986128.db2.gz KFEWERGRNCTPLN-RTWAWAEBSA-N 2 1 321.468 3.278 20 0 DGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1 ZINC001235396826 1098993265 /nfs/dbraw/zinc/99/32/65/1098993265.db2.gz MQSWYSKOLQCJHX-RDJZCZTQSA-N 2 1 304.453 3.493 20 0 DGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403043 1098998948 /nfs/dbraw/zinc/99/89/48/1098998948.db2.gz ZDELFLTZYHEUTD-IRXDYDNUSA-N 2 1 308.466 3.240 20 0 DGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403043 1098998955 /nfs/dbraw/zinc/99/89/55/1098998955.db2.gz ZDELFLTZYHEUTD-IRXDYDNUSA-N 2 1 308.466 3.240 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403746 1099002643 /nfs/dbraw/zinc/00/26/43/1099002643.db2.gz LJBJZOMVTGSRJL-RBUKOAKNSA-N 2 1 314.404 3.470 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403746 1099002655 /nfs/dbraw/zinc/00/26/55/1099002655.db2.gz LJBJZOMVTGSRJL-RBUKOAKNSA-N 2 1 314.404 3.470 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235409972 1099006721 /nfs/dbraw/zinc/00/67/21/1099006721.db2.gz WRQWNVSTIIGOOQ-HKUYNNGSSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235409972 1099006734 /nfs/dbraw/zinc/00/67/34/1099006734.db2.gz WRQWNVSTIIGOOQ-HKUYNNGSSA-N 2 1 320.452 3.387 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC001179066368 1099009039 /nfs/dbraw/zinc/00/90/39/1099009039.db2.gz HOIPVYQBKZPBLB-NZHZHZHDSA-N 2 1 324.896 3.426 20 0 DGADMP CCOc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC001235420749 1099012181 /nfs/dbraw/zinc/01/21/81/1099012181.db2.gz AOGBECUGQHXUBS-ZWKOTPCHSA-N 2 1 317.477 3.000 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235421436 1099012499 /nfs/dbraw/zinc/01/24/99/1099012499.db2.gz BWVAPOQRYCMZAM-DLBZAZTESA-N 2 1 302.462 3.215 20 0 DGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424075 1099016670 /nfs/dbraw/zinc/01/66/70/1099016670.db2.gz JLWQWRGACHNOAY-LSDHHAIUSA-N 2 1 308.416 3.219 20 0 DGADMP CCN(Cc1cnc(OC(C)C)cc1C)C1CC[NH+](C)CC1 ZINC001235426796 1099018896 /nfs/dbraw/zinc/01/88/96/1099018896.db2.gz XKMYFVVLHURQEO-UHFFFAOYSA-N 2 1 305.466 3.093 20 0 DGADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430263 1099024303 /nfs/dbraw/zinc/02/43/03/1099024303.db2.gz WHKUDPAFORUBFZ-KGLIPLIRSA-N 2 1 308.853 3.257 20 0 DGADMP COc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429838 1099027143 /nfs/dbraw/zinc/02/71/43/1099027143.db2.gz RPFJWINTPBFJPH-LSDHHAIUSA-N 2 1 306.425 3.046 20 0 DGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc21 ZINC001235432760 1099029534 /nfs/dbraw/zinc/02/95/34/1099029534.db2.gz YDXQWZMUGOTOMU-RTBURBONSA-N 2 1 311.473 3.390 20 0 DGADMP C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)CC1CC[NH2+]CC1 ZINC001235433345 1099030964 /nfs/dbraw/zinc/03/09/64/1099030964.db2.gz UAMGECNAFBYJPR-UHFFFAOYSA-N 2 1 301.409 3.252 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433276 1099031749 /nfs/dbraw/zinc/03/17/49/1099031749.db2.gz RRDOCUHJOPIUPM-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1cc(Br)c(Cl)cc1C[N@@H+](C)CCC[NH3+] ZINC001235444709 1099039822 /nfs/dbraw/zinc/03/98/22/1099039822.db2.gz QXZSSCQSFQXOCK-UHFFFAOYSA-N 2 1 305.647 3.192 20 0 DGADMP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234104 1099044751 /nfs/dbraw/zinc/04/47/51/1099044751.db2.gz IRXICQIHFKCEPI-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+](Cc1ccc(COc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001235464298 1099051238 /nfs/dbraw/zinc/05/12/38/1099051238.db2.gz CCJWYLPJXVQFBL-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCCCO)C[C@H]21 ZINC001235561414 1099087170 /nfs/dbraw/zinc/08/71/70/1099087170.db2.gz UTAANRXESDUOTP-CGTJXYLNSA-N 2 1 322.518 3.053 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCCCO)C[C@H]21 ZINC001235561414 1099087185 /nfs/dbraw/zinc/08/71/85/1099087185.db2.gz UTAANRXESDUOTP-CGTJXYLNSA-N 2 1 322.518 3.053 20 0 DGADMP C[C@@H]([NH3+])C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001235580457 1099091784 /nfs/dbraw/zinc/09/17/84/1099091784.db2.gz HWCZFJBSXFPCNO-MRXNPFEDSA-N 2 1 321.468 3.376 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@@H]2C1 ZINC001235614546 1099099025 /nfs/dbraw/zinc/09/90/25/1099099025.db2.gz FSASUGFIKHTHPP-MJGOQNOKSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3-c3ccncc3)C[C@@H]2C1 ZINC001235614546 1099099033 /nfs/dbraw/zinc/09/90/33/1099099033.db2.gz FSASUGFIKHTHPP-MJGOQNOKSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3ccncc3)C[C@@H]2C1 ZINC001235614546 1099099043 /nfs/dbraw/zinc/09/90/43/1099099043.db2.gz FSASUGFIKHTHPP-MJGOQNOKSA-N 2 1 307.441 3.132 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC001235664294 1099112580 /nfs/dbraw/zinc/11/25/80/1099112580.db2.gz QGTVDWHZEBNIMZ-RISCZKNCSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001235664294 1099112584 /nfs/dbraw/zinc/11/25/84/1099112584.db2.gz QGTVDWHZEBNIMZ-RISCZKNCSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235672710 1099116314 /nfs/dbraw/zinc/11/63/14/1099116314.db2.gz FPDNNDIIKNCSCA-NJAFHUGGSA-N 2 1 322.443 3.432 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235672710 1099116321 /nfs/dbraw/zinc/11/63/21/1099116321.db2.gz FPDNNDIIKNCSCA-NJAFHUGGSA-N 2 1 322.443 3.432 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]C2CCCCC2)C[C@@H]1c1ccccc1 ZINC001235674485 1099117711 /nfs/dbraw/zinc/11/77/11/1099117711.db2.gz TXVJVSZLNWZSIX-HXUWFJFHSA-N 2 1 315.505 3.288 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2c(F)cc(OC(C)C)cc2F)CC1 ZINC001235680784 1099123792 /nfs/dbraw/zinc/12/37/92/1099123792.db2.gz XJICOEYUMPEHNA-UHFFFAOYSA-N 2 1 312.404 3.183 20 0 DGADMP c1ccc(CO[C@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235686746 1099128904 /nfs/dbraw/zinc/12/89/04/1099128904.db2.gz BQESDYPRDVYHOC-NRFANRHFSA-N 2 1 322.452 3.123 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)[nH]c2c1 ZINC001235702038 1099136216 /nfs/dbraw/zinc/13/62/16/1099136216.db2.gz HGVKRUMPAFPHFJ-UHFFFAOYSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)nc2c1 ZINC001235702038 1099136213 /nfs/dbraw/zinc/13/62/13/1099136213.db2.gz HGVKRUMPAFPHFJ-UHFFFAOYSA-N 2 1 312.461 3.083 20 0 DGADMP Oc1ccc(-c2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235712361 1099141083 /nfs/dbraw/zinc/14/10/83/1099141083.db2.gz AWNXREKXZBFJDX-UHFFFAOYSA-N 2 1 308.425 3.245 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235712361 1099141088 /nfs/dbraw/zinc/14/10/88/1099141088.db2.gz AWNXREKXZBFJDX-UHFFFAOYSA-N 2 1 308.425 3.245 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235714833 1099141575 /nfs/dbraw/zinc/14/15/75/1099141575.db2.gz LRYBXUOOEBIFQL-OAQYLSRUSA-N 2 1 322.452 3.123 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235714081 1099141974 /nfs/dbraw/zinc/14/19/74/1099141974.db2.gz GUDLJHNORNPDAN-BMFZPTHFSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235714081 1099141977 /nfs/dbraw/zinc/14/19/77/1099141977.db2.gz GUDLJHNORNPDAN-BMFZPTHFSA-N 2 1 324.415 3.323 20 0 DGADMP COc1nc2ccccc2cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235714587 1099142325 /nfs/dbraw/zinc/14/23/25/1099142325.db2.gz OGTWQUKSBKQGJT-UHFFFAOYSA-N 2 1 313.445 3.065 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1OCC ZINC001235716464 1099142986 /nfs/dbraw/zinc/14/29/86/1099142986.db2.gz DCQPQXSAXLBYFK-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP COc1ccc(F)c(C[N@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235716946 1099143436 /nfs/dbraw/zinc/14/34/36/1099143436.db2.gz OLLTVQLBTMESLD-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP COc1ccc(F)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235716946 1099143442 /nfs/dbraw/zinc/14/34/42/1099143442.db2.gz OLLTVQLBTMESLD-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1C ZINC001235717381 1099144173 /nfs/dbraw/zinc/14/41/73/1099144173.db2.gz SSQPCAILYIMHCK-UHFFFAOYSA-N 2 1 304.478 3.442 20 0 DGADMP CC(C)c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001235751091 1099165747 /nfs/dbraw/zinc/16/57/47/1099165747.db2.gz VLKZDUNNNUZQIN-LBPRGKRZSA-N 2 1 311.267 3.353 20 0 DGADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001235751091 1099165753 /nfs/dbraw/zinc/16/57/53/1099165753.db2.gz VLKZDUNNNUZQIN-LBPRGKRZSA-N 2 1 311.267 3.353 20 0 DGADMP CCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179741604 1099178055 /nfs/dbraw/zinc/17/80/55/1099178055.db2.gz KGMGYUSIMTWGNO-UHFFFAOYSA-N 2 1 322.497 3.073 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235842008 1099204608 /nfs/dbraw/zinc/20/46/08/1099204608.db2.gz LTRIGXOJXVVJLA-JTQLQIEISA-N 2 1 306.759 3.400 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235842008 1099204612 /nfs/dbraw/zinc/20/46/12/1099204612.db2.gz LTRIGXOJXVVJLA-JTQLQIEISA-N 2 1 306.759 3.400 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842634 1099206001 /nfs/dbraw/zinc/20/60/01/1099206001.db2.gz QGWBOUQZHOJNNC-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842634 1099206007 /nfs/dbraw/zinc/20/60/07/1099206007.db2.gz QGWBOUQZHOJNNC-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001179829617 1099213078 /nfs/dbraw/zinc/21/30/78/1099213078.db2.gz DPIMBABVFVMHFA-AWEZNQCLSA-N 2 1 301.434 3.150 20 0 DGADMP Fc1ccc([C@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001235864513 1099226350 /nfs/dbraw/zinc/22/63/50/1099226350.db2.gz IHBPKPUNPXFSJV-QGZVFWFLSA-N 2 1 308.466 3.305 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892030 1099236819 /nfs/dbraw/zinc/23/68/19/1099236819.db2.gz KKJMOUJITKJSKX-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892030 1099236829 /nfs/dbraw/zinc/23/68/29/1099236829.db2.gz KKJMOUJITKJSKX-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235925023 1099261015 /nfs/dbraw/zinc/26/10/15/1099261015.db2.gz GMQJMFVMMQIARR-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP CCc1sc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925968 1099263114 /nfs/dbraw/zinc/26/31/14/1099263114.db2.gz UKFCXGLSFFRTGQ-JTQLQIEISA-N 2 1 317.296 3.386 20 0 DGADMP CCc1sc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925968 1099263121 /nfs/dbraw/zinc/26/31/21/1099263121.db2.gz UKFCXGLSFFRTGQ-JTQLQIEISA-N 2 1 317.296 3.386 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001235925864 1099263509 /nfs/dbraw/zinc/26/35/09/1099263509.db2.gz QCQCRWLBQAEPGG-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001235925864 1099263518 /nfs/dbraw/zinc/26/35/18/1099263518.db2.gz QCQCRWLBQAEPGG-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC1CC[NH+](CC)CC1 ZINC001179979264 1099264165 /nfs/dbraw/zinc/26/41/65/1099264165.db2.gz DWWGIBMHBDESIC-IBGZPJMESA-N 2 1 315.505 3.449 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235929811 1099265437 /nfs/dbraw/zinc/26/54/37/1099265437.db2.gz UQCDTYDVZXMODN-VQTJNVASSA-N 2 1 322.452 3.307 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)cc1Br ZINC001235937519 1099272239 /nfs/dbraw/zinc/27/22/39/1099272239.db2.gz IIRYJZYQEIEZHK-ZFWWWQNUSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)cc1Br ZINC001235937519 1099272243 /nfs/dbraw/zinc/27/22/43/1099272243.db2.gz IIRYJZYQEIEZHK-ZFWWWQNUSA-N 2 1 323.278 3.107 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235938605 1099272359 /nfs/dbraw/zinc/27/23/59/1099272359.db2.gz LNYOVKNTTBFBAG-IAGOWNOFSA-N 2 1 310.441 3.280 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939814 1099275203 /nfs/dbraw/zinc/27/52/03/1099275203.db2.gz KMQAJMPBFPEFJN-XHDPSFHLSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939814 1099275211 /nfs/dbraw/zinc/27/52/11/1099275211.db2.gz KMQAJMPBFPEFJN-XHDPSFHLSA-N 2 1 314.807 3.189 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235943864 1099276430 /nfs/dbraw/zinc/27/64/30/1099276430.db2.gz ZMIYYIBZMBNRRW-MOPGFXCFSA-N 2 1 308.425 3.101 20 0 DGADMP COCC[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C1CC[NH2+]CC1 ZINC001235945275 1099278576 /nfs/dbraw/zinc/27/85/76/1099278576.db2.gz DJXTZXFMKFHIFS-UHFFFAOYSA-N 2 1 320.521 3.293 20 0 DGADMP CCN(CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947487 1099280196 /nfs/dbraw/zinc/28/01/96/1099280196.db2.gz CNJNYTFRFBOVJK-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccc(C[NH3+])cc3)CCO2)cc1 ZINC001235948685 1099281379 /nfs/dbraw/zinc/28/13/79/1099281379.db2.gz QDMJTXRZDPEREM-HXUWFJFHSA-N 2 1 310.441 3.201 20 0 DGADMP Fc1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235949526 1099283532 /nfs/dbraw/zinc/28/35/32/1099283532.db2.gz NVOYWIDHONPFAY-IBGZPJMESA-N 2 1 310.416 3.461 20 0 DGADMP COc1ccc([C@H](C)[N@H+](C)C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949920 1099284004 /nfs/dbraw/zinc/28/40/04/1099284004.db2.gz KGMJIVBMWHTRMF-HEHGZKQESA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949920 1099284009 /nfs/dbraw/zinc/28/40/09/1099284009.db2.gz KGMJIVBMWHTRMF-HEHGZKQESA-N 2 1 312.404 3.179 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950133 1099284225 /nfs/dbraw/zinc/28/42/25/1099284225.db2.gz RBSJANYPPUDBNB-JQFCIGGWSA-N 2 1 324.415 3.323 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950133 1099284230 /nfs/dbraw/zinc/28/42/30/1099284230.db2.gz RBSJANYPPUDBNB-JQFCIGGWSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@H](C)[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235950100 1099284431 /nfs/dbraw/zinc/28/44/31/1099284431.db2.gz OXEKFSOJXCOVOI-HNNXBMFYSA-N 2 1 302.462 3.468 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235956174 1099286860 /nfs/dbraw/zinc/28/68/60/1099286860.db2.gz AKCVOJZOJLVEDZ-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC001235957031 1099288915 /nfs/dbraw/zinc/28/89/15/1099288915.db2.gz JXLQDNGYXKANNM-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC001235957031 1099288921 /nfs/dbraw/zinc/28/89/21/1099288921.db2.gz JXLQDNGYXKANNM-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC001235957033 1099288987 /nfs/dbraw/zinc/28/89/87/1099288987.db2.gz JXLQDNGYXKANNM-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC001235957033 1099288998 /nfs/dbraw/zinc/28/89/98/1099288998.db2.gz JXLQDNGYXKANNM-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957330 1099290249 /nfs/dbraw/zinc/29/02/49/1099290249.db2.gz NCVFPASZEURXEA-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP Fc1ccccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235972832 1099301156 /nfs/dbraw/zinc/30/11/56/1099301156.db2.gz CRVMFTGEWVGZQI-UHFFFAOYSA-N 2 1 310.416 3.463 20 0 DGADMP Cc1cc(O)cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235979367 1099306912 /nfs/dbraw/zinc/30/69/12/1099306912.db2.gz YTIHYMYHVXLUKY-UHFFFAOYSA-N 2 1 322.452 3.338 20 0 DGADMP CNc1ccccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235979354 1099306950 /nfs/dbraw/zinc/30/69/50/1099306950.db2.gz YHJLLBPXYKXWJV-UHFFFAOYSA-N 2 1 321.468 3.365 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001236043668 1099345411 /nfs/dbraw/zinc/34/54/11/1099345411.db2.gz CSFPTKQLEIBLHK-WFASDCNBSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001235986798 1099310732 /nfs/dbraw/zinc/31/07/32/1099310732.db2.gz RILWIYMQUHFXRZ-HZSPNIEDSA-N 2 1 304.400 3.081 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235989281 1099313049 /nfs/dbraw/zinc/31/30/49/1099313049.db2.gz IULCPWRPAKHJRO-YWZLYKJASA-N 2 1 305.425 3.255 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235989281 1099313058 /nfs/dbraw/zinc/31/30/58/1099313058.db2.gz IULCPWRPAKHJRO-YWZLYKJASA-N 2 1 305.425 3.255 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991141 1099314685 /nfs/dbraw/zinc/31/46/85/1099314685.db2.gz IDWZHBOHVKETBC-PZJWPPBQSA-N 2 1 321.468 3.343 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991141 1099314696 /nfs/dbraw/zinc/31/46/96/1099314696.db2.gz IDWZHBOHVKETBC-PZJWPPBQSA-N 2 1 321.468 3.343 20 0 DGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCC(C)C ZINC001180121364 1099322004 /nfs/dbraw/zinc/32/20/04/1099322004.db2.gz MMAACSFCQUFRNO-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP C[N@H+](Cc1cnc2n1CC[NH2+]C2)C1CCC(C(C)(C)C)CC1 ZINC001236009875 1099333013 /nfs/dbraw/zinc/33/30/13/1099333013.db2.gz ZBBADYXUEFGAJC-UHFFFAOYSA-N 2 1 304.482 3.023 20 0 DGADMP C[N@@H+](Cc1cnc2n1CC[NH2+]C2)C1CCC(C(C)(C)C)CC1 ZINC001236009875 1099333022 /nfs/dbraw/zinc/33/30/22/1099333022.db2.gz ZBBADYXUEFGAJC-UHFFFAOYSA-N 2 1 304.482 3.023 20 0 DGADMP Fc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(C(F)(F)F)c1 ZINC001236009851 1099333562 /nfs/dbraw/zinc/33/35/62/1099333562.db2.gz YNNUIWBTJYCFBY-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001236012306 1099335830 /nfs/dbraw/zinc/33/58/30/1099335830.db2.gz HQWGWKBHIHLHBC-MMKMLUHNSA-N 2 1 310.485 3.452 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCc2cccc(Br)c2)C1 ZINC001236043668 1099345400 /nfs/dbraw/zinc/34/54/00/1099345400.db2.gz CSFPTKQLEIBLHK-WFASDCNBSA-N 2 1 311.267 3.051 20 0 DGADMP COc1cccc(CCC[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)c1 ZINC001236042768 1099345818 /nfs/dbraw/zinc/34/58/18/1099345818.db2.gz UIWYPLNIGCXQEY-UHFFFAOYSA-N 2 1 316.489 3.339 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045514 1099347815 /nfs/dbraw/zinc/34/78/15/1099347815.db2.gz VOCXXDPCQCOSFN-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045514 1099347828 /nfs/dbraw/zinc/34/78/28/1099347828.db2.gz VOCXXDPCQCOSFN-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP CC[C@H]1c2ccccc2CC[N@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236059392 1099359236 /nfs/dbraw/zinc/35/92/36/1099359236.db2.gz HDVYUFNJFLGTBD-INIZCTEOSA-N 2 1 313.470 3.298 20 0 DGADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236059392 1099359249 /nfs/dbraw/zinc/35/92/49/1099359249.db2.gz HDVYUFNJFLGTBD-INIZCTEOSA-N 2 1 313.470 3.298 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC)cc3)c2)C1 ZINC001236065596 1099364892 /nfs/dbraw/zinc/36/48/92/1099364892.db2.gz BTAQYTIQURAEJA-KRWDZBQOSA-N 2 1 310.441 3.404 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236079530 1099374744 /nfs/dbraw/zinc/37/47/44/1099374744.db2.gz NXRKWMUPOIANHR-IBGZPJMESA-N 2 1 323.484 3.003 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236093711 1099382139 /nfs/dbraw/zinc/38/21/39/1099382139.db2.gz XYJKMVGSCQMHPO-RTBURBONSA-N 2 1 316.489 3.482 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(OC(F)(F)F)cc1Cl ZINC001236142418 1099428441 /nfs/dbraw/zinc/42/84/41/1099428441.db2.gz XGAVJDIZFANZHL-UHFFFAOYSA-N 2 1 310.747 3.409 20 0 DGADMP CC(C)(C)c1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236147178 1099433088 /nfs/dbraw/zinc/43/30/88/1099433088.db2.gz RULRMSDGNXFSQF-KRWDZBQOSA-N 2 1 315.505 3.106 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C)C3CCC([NH2+]C)CC3)cc21 ZINC001236216456 1099472599 /nfs/dbraw/zinc/47/25/99/1099472599.db2.gz MJSXCBFDIHGPDL-UHFFFAOYSA-N 2 1 301.478 3.031 20 0 DGADMP Cc1cccc(Br)c1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222168 1099479758 /nfs/dbraw/zinc/47/97/58/1099479758.db2.gz GSCDWFFBTFOOJT-JOCQHMNTSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224316 1099481311 /nfs/dbraw/zinc/48/13/11/1099481311.db2.gz SQMUDJACEBXWMA-HAQNSBGRSA-N 2 1 320.330 3.426 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224136 1099481495 /nfs/dbraw/zinc/48/14/95/1099481495.db2.gz SKSADLAEDISJAO-SHTZXODSSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](CCc1ccccc1Br)C1(C)CC[NH2+]CC1 ZINC001236223541 1099482427 /nfs/dbraw/zinc/48/24/27/1099482427.db2.gz OQUQRNAHCCZWGF-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCSc2ccccc2C1 ZINC001236241246 1099495013 /nfs/dbraw/zinc/49/50/13/1099495013.db2.gz RDPFTEBLHIWDME-OCCSQVGLSA-N 2 1 312.429 3.085 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCSc2ccccc2C1 ZINC001236241246 1099495018 /nfs/dbraw/zinc/49/50/18/1099495018.db2.gz RDPFTEBLHIWDME-OCCSQVGLSA-N 2 1 312.429 3.085 20 0 DGADMP FC(F)C(F)(F)Oc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236241552 1099495226 /nfs/dbraw/zinc/49/52/26/1099495226.db2.gz ZTVBBYIPJNBUPS-UHFFFAOYSA-N 2 1 320.330 3.109 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C[NH3+])cc1 ZINC001236254291 1099502452 /nfs/dbraw/zinc/50/24/52/1099502452.db2.gz YQZCMUUQKTZRTJ-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001236254291 1099502467 /nfs/dbraw/zinc/50/24/67/1099502467.db2.gz YQZCMUUQKTZRTJ-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001236254291 1099502481 /nfs/dbraw/zinc/50/24/81/1099502481.db2.gz YQZCMUUQKTZRTJ-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP COc1cccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236286511 1099518973 /nfs/dbraw/zinc/51/89/73/1099518973.db2.gz LRDIIFGRONUUSY-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP COc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236286511 1099518983 /nfs/dbraw/zinc/51/89/83/1099518983.db2.gz LRDIIFGRONUUSY-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP Cc1cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1O ZINC001236300510 1099524310 /nfs/dbraw/zinc/52/43/10/1099524310.db2.gz PRQXRLVDOUBBNN-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1O ZINC001236300510 1099524316 /nfs/dbraw/zinc/52/43/16/1099524316.db2.gz PRQXRLVDOUBBNN-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315696 1099529861 /nfs/dbraw/zinc/52/98/61/1099529861.db2.gz MPXFMHXYGBFSBF-OKILXGFUSA-N 2 1 314.351 3.017 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315226 1099531043 /nfs/dbraw/zinc/53/10/43/1099531043.db2.gz WQROKHBAEXGWBO-HDICACEKSA-N 2 1 324.509 3.212 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320469 1099533491 /nfs/dbraw/zinc/53/34/91/1099533491.db2.gz CUSVBUCJYZNYIK-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)n1 ZINC001236321385 1099535156 /nfs/dbraw/zinc/53/51/56/1099535156.db2.gz LWOTVDDQFPSWNC-OKILXGFUSA-N 2 1 307.869 3.290 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001236337306 1099546086 /nfs/dbraw/zinc/54/60/86/1099546086.db2.gz ZXEQRGVVCTWADB-FUHWJXTLSA-N 2 1 302.462 3.264 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369634 1099555121 /nfs/dbraw/zinc/55/51/21/1099555121.db2.gz BATPONYMLVZITE-SFHVURJKSA-N 3 1 321.553 3.353 20 0 DGADMP C[NH+](C)CC1(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369634 1099555135 /nfs/dbraw/zinc/55/51/35/1099555135.db2.gz BATPONYMLVZITE-SFHVURJKSA-N 2 1 321.553 3.353 20 0 DGADMP CCCn1ncc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1C ZINC001236372729 1099558338 /nfs/dbraw/zinc/55/83/38/1099558338.db2.gz DAIMZJZOEDNHAK-QGZVFWFLSA-N 2 1 318.509 3.346 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374658 1099559244 /nfs/dbraw/zinc/55/92/44/1099559244.db2.gz RTSJPJXRCSNMJW-OAHLLOKOSA-N 2 1 318.509 3.451 20 0 DGADMP Nc1ccc(Cl)nc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374178 1099559740 /nfs/dbraw/zinc/55/97/40/1099559740.db2.gz BZMRDGMWIUWQMH-CYBMUJFWSA-N 2 1 322.884 3.061 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1CCN2 ZINC001236376802 1099564017 /nfs/dbraw/zinc/56/40/17/1099564017.db2.gz VXXQQSBBPDGINW-KRWDZBQOSA-N 2 1 313.489 3.399 20 0 DGADMP Oc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1F ZINC001236376191 1099564811 /nfs/dbraw/zinc/56/48/11/1099564811.db2.gz QMKYBSQSWCHAKJ-HNNXBMFYSA-N 2 1 306.425 3.276 20 0 DGADMP CC[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)C[C@H]1CC[NH2+]C1 ZINC001236407338 1099579530 /nfs/dbraw/zinc/57/95/30/1099579530.db2.gz DIOKSFVFZLTRAQ-AWEZNQCLSA-N 2 1 301.409 3.252 20 0 DGADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC001236423346 1099599085 /nfs/dbraw/zinc/59/90/85/1099599085.db2.gz MOLCCJSOURXBOE-KRWDZBQOSA-N 2 1 302.462 3.360 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCOC[C@H]1C1CCCCC1)C[NH2+]CC2 ZINC001236434717 1099610849 /nfs/dbraw/zinc/61/08/49/1099610849.db2.gz UZJXJCFMDKVIOZ-FQEVSTJZSA-N 2 1 314.473 3.113 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCOC[C@H]1C1CCCCC1)CC[NH2+]C2 ZINC001236434899 1099610998 /nfs/dbraw/zinc/61/09/98/1099610998.db2.gz YYBFYONMGSCOHB-FQEVSTJZSA-N 2 1 314.473 3.113 20 0 DGADMP FC(F)(F)Oc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC001236434922 1099611005 /nfs/dbraw/zinc/61/10/05/1099611005.db2.gz YCHZSSKXTYUUHL-DOMZBBRYSA-N 2 1 314.351 3.332 20 0 DGADMP Clc1ccc(C[N@H+](C[C@@H]2CCCCO2)C2CC[NH2+]CC2)cc1 ZINC001236452287 1099620244 /nfs/dbraw/zinc/62/02/44/1099620244.db2.gz BFVOGEUOKKSACW-SFHVURJKSA-N 2 1 322.880 3.463 20 0 DGADMP Clc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC[NH2+]CC2)cc1 ZINC001236452287 1099620246 /nfs/dbraw/zinc/62/02/46/1099620246.db2.gz BFVOGEUOKKSACW-SFHVURJKSA-N 2 1 322.880 3.463 20 0 DGADMP CCOCC[N@@H+](Cc1cccc2c1CCCC2)C1CC[NH2+]CC1 ZINC001236460570 1099624360 /nfs/dbraw/zinc/62/43/60/1099624360.db2.gz FJBIYNAAFXJYHO-UHFFFAOYSA-N 2 1 316.489 3.156 20 0 DGADMP CCOCC[N@H+](Cc1cc(C)cc(SC)c1)C1CC[NH2+]CC1 ZINC001236466479 1099626062 /nfs/dbraw/zinc/62/60/62/1099626062.db2.gz ZKZDBTZSHFDUBR-UHFFFAOYSA-N 2 1 322.518 3.307 20 0 DGADMP CCOCC[N@@H+](Cc1cc(C)cc(SC)c1)C1CC[NH2+]CC1 ZINC001236466479 1099626067 /nfs/dbraw/zinc/62/60/67/1099626067.db2.gz ZKZDBTZSHFDUBR-UHFFFAOYSA-N 2 1 322.518 3.307 20 0 DGADMP CCOCC[N@H+](Cc1ccc(Cl)cc1C)C1CC[NH2+]CC1 ZINC001236462757 1099627187 /nfs/dbraw/zinc/62/71/87/1099627187.db2.gz WHJKFSHYJITBNM-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(Cl)cc1C)C1CC[NH2+]CC1 ZINC001236462757 1099627191 /nfs/dbraw/zinc/62/71/91/1099627191.db2.gz WHJKFSHYJITBNM-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CC(C)[N@H+](Cc1c[nH]c2ncc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236468569 1099628320 /nfs/dbraw/zinc/62/83/20/1099628320.db2.gz JBZCQZQJNYPEEY-CQSZACIVSA-N 2 1 306.841 3.179 20 0 DGADMP CC(C)[N@@H+](Cc1c[nH]c2ncc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236468569 1099628324 /nfs/dbraw/zinc/62/83/24/1099628324.db2.gz JBZCQZQJNYPEEY-CQSZACIVSA-N 2 1 306.841 3.179 20 0 DGADMP [NH3+]Cc1cc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC001236476429 1099634928 /nfs/dbraw/zinc/63/49/28/1099634928.db2.gz SJOAZXQOVVLIPU-UXHICEINSA-N 2 1 305.425 3.361 20 0 DGADMP CCC1(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)COC1 ZINC001236534596 1099669174 /nfs/dbraw/zinc/66/91/74/1099669174.db2.gz XQRAXZLFMSPQCS-QAQDUYKDSA-N 2 1 320.452 3.324 20 0 DGADMP COc1c(C)cccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553218 1099676916 /nfs/dbraw/zinc/67/69/16/1099676916.db2.gz YBBQCHZVGIVJBN-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP Cc1ccccc1C[N@@H+](Cc1ccc(N)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557845 1099679456 /nfs/dbraw/zinc/67/94/56/1099679456.db2.gz TYETZYCKQAFCCF-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CCCCC2)CC1 ZINC001236565479 1099680147 /nfs/dbraw/zinc/68/01/47/1099680147.db2.gz HTZMVPLSNOEEHD-LNLFQRSKSA-N 3 1 307.526 3.281 20 0 DGADMP CN1CCC[C@@H](C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566239 1099680359 /nfs/dbraw/zinc/68/03/59/1099680359.db2.gz UFTQWKSHWHOGKP-ZHALLVOQSA-N 2 1 307.526 3.233 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566239 1099680365 /nfs/dbraw/zinc/68/03/65/1099680365.db2.gz UFTQWKSHWHOGKP-ZHALLVOQSA-N 3 1 307.526 3.233 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566239 1099680368 /nfs/dbraw/zinc/68/03/68/1099680368.db2.gz UFTQWKSHWHOGKP-ZHALLVOQSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566239 1099680371 /nfs/dbraw/zinc/68/03/71/1099680371.db2.gz UFTQWKSHWHOGKP-ZHALLVOQSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236566239 1099680376 /nfs/dbraw/zinc/68/03/76/1099680376.db2.gz UFTQWKSHWHOGKP-ZHALLVOQSA-N 3 1 307.526 3.233 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC[NH2+]C2CCCCC2)C2CCC2)CC1 ZINC001236572477 1099685090 /nfs/dbraw/zinc/68/50/90/1099685090.db2.gz PZGJAFDELSYMLI-RUCARUNLSA-N 3 1 307.526 3.423 20 0 DGADMP COc1cc(C)c(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236572032 1099685162 /nfs/dbraw/zinc/68/51/62/1099685162.db2.gz QNDJRINEUSWXTL-SAABIXHNSA-N 2 1 317.477 3.413 20 0 DGADMP Fc1ccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236584866 1099689769 /nfs/dbraw/zinc/68/97/69/1099689769.db2.gz XUMSAANGPYLCRF-CYBMUJFWSA-N 2 1 310.844 3.486 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599561 1099695721 /nfs/dbraw/zinc/69/57/21/1099695721.db2.gz SIZZKGCTIJJODH-INIZCTEOSA-N 2 1 302.462 3.358 20 0 DGADMP CCOc1ccc(C)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599561 1099695725 /nfs/dbraw/zinc/69/57/25/1099695725.db2.gz SIZZKGCTIJJODH-INIZCTEOSA-N 2 1 302.462 3.358 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)cc21 ZINC001236604192 1099698708 /nfs/dbraw/zinc/69/87/08/1099698708.db2.gz CVTXNLUZGDXAIE-QGZVFWFLSA-N 2 1 313.489 3.033 20 0 DGADMP Cc1c(Br)cccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001236606063 1099701126 /nfs/dbraw/zinc/70/11/26/1099701126.db2.gz UIOARIPPBMNISQ-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP Cc1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)cnc1OC(C)C ZINC001236649020 1099721375 /nfs/dbraw/zinc/72/13/75/1099721375.db2.gz VEBJWXSVKXUXAN-UHFFFAOYSA-N 2 1 317.477 3.284 20 0 DGADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cnc1OC(C)C ZINC001236649020 1099721385 /nfs/dbraw/zinc/72/13/85/1099721385.db2.gz VEBJWXSVKXUXAN-UHFFFAOYSA-N 2 1 317.477 3.284 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]12 ZINC001236818517 1099805328 /nfs/dbraw/zinc/80/53/28/1099805328.db2.gz JQZVSVDTDMVFKM-SQWLQELKSA-N 2 1 312.379 3.307 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236818199 1099806659 /nfs/dbraw/zinc/80/66/59/1099806659.db2.gz GVDZHHGHVYCWEP-VDZJLULYSA-N 2 1 310.441 3.408 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236818195 1099806814 /nfs/dbraw/zinc/80/68/14/1099806814.db2.gz GVDZHHGHVYCWEP-KVSKMBFKSA-N 2 1 310.441 3.408 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@H]12 ZINC001236828385 1099811171 /nfs/dbraw/zinc/81/11/71/1099811171.db2.gz IJZXBQUMHQBRBT-RYGJVYDSSA-N 2 1 324.424 3.354 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001236829498 1099813550 /nfs/dbraw/zinc/81/35/50/1099813550.db2.gz KTWNAZJFSQBFEX-NWANDNLSSA-N 2 1 314.351 3.063 20 0 DGADMP CCC[N@H+](Cc1cc(F)c(OC)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236841921 1099825571 /nfs/dbraw/zinc/82/55/71/1099825571.db2.gz AWZACYVWWRUXFD-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1cc(F)cc(N2CCCC2)c1)C[C@H]1CC[NH2+]C1 ZINC001236844734 1099829458 /nfs/dbraw/zinc/82/94/58/1099829458.db2.gz UXVRLABJPNYILK-INIZCTEOSA-N 2 1 319.468 3.247 20 0 DGADMP CCC[N@@H+](Cc1cc(Cl)c(OC)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236844875 1099829575 /nfs/dbraw/zinc/82/95/75/1099829575.db2.gz WPLYBSYHBJVDGC-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1cc(Cl)c(OC)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236844875 1099829583 /nfs/dbraw/zinc/82/95/83/1099829583.db2.gz WPLYBSYHBJVDGC-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)c2)CC1 ZINC001236887267 1099850438 /nfs/dbraw/zinc/85/04/38/1099850438.db2.gz ICQQLHXGFUVDJV-MOPGFXCFSA-N 2 1 313.489 3.060 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001237057434 1099949393 /nfs/dbraw/zinc/94/93/93/1099949393.db2.gz MPGIPTIFBXBHJW-HNNXBMFYSA-N 2 1 300.368 3.309 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@](C)(C[NH3+])C3)ccc2c1 ZINC001237058709 1099949939 /nfs/dbraw/zinc/94/99/39/1099949939.db2.gz RJQXDJSFXLEVKI-HXUWFJFHSA-N 2 1 311.473 3.467 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccn1-c1ccccc1F ZINC001237082051 1099960448 /nfs/dbraw/zinc/96/04/48/1099960448.db2.gz NSDVMKMCJHXLJO-MQVJKMGUSA-N 2 1 313.420 3.318 20 0 DGADMP CC[NH+]1CCC(N(C)Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001237096294 1099967031 /nfs/dbraw/zinc/96/70/31/1099967031.db2.gz OLBGEKWPIIYZQT-UHFFFAOYSA-N 2 1 319.468 3.342 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001237096294 1099967044 /nfs/dbraw/zinc/96/70/44/1099967044.db2.gz OLBGEKWPIIYZQT-UHFFFAOYSA-N 2 1 319.468 3.342 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001237096294 1099967052 /nfs/dbraw/zinc/96/70/52/1099967052.db2.gz OLBGEKWPIIYZQT-UHFFFAOYSA-N 2 1 319.468 3.342 20 0 DGADMP CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237105442 1099971613 /nfs/dbraw/zinc/97/16/13/1099971613.db2.gz NRIGBVWQNYSRSL-VQTJNVASSA-N 2 1 314.473 3.107 20 0 DGADMP CCCCCCc1ccc(C[N@@H+]2CC[C@]3(C2)CNCCO3)s1 ZINC001237146544 1099996248 /nfs/dbraw/zinc/99/62/48/1099996248.db2.gz UIANOHMBWOYRET-GOSISDBHSA-N 2 1 322.518 3.435 20 0 DGADMP CCCCCCc1ccc(C[N@H+]2CC[C@]3(C2)CNCCO3)s1 ZINC001237146544 1099996259 /nfs/dbraw/zinc/99/62/59/1099996259.db2.gz UIANOHMBWOYRET-GOSISDBHSA-N 2 1 322.518 3.435 20 0 DGADMP CCC(=O)C(C)(C)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275801 1100056136 /nfs/dbraw/zinc/05/61/36/1100056136.db2.gz QMYFINHILALODD-UHFFFAOYSA-N 2 1 314.473 3.129 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380230 1100098516 /nfs/dbraw/zinc/09/85/16/1100098516.db2.gz GILKJFBJVNXOGV-MSOLQXFVSA-N 2 1 324.509 3.354 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c12 ZINC001237383131 1100101164 /nfs/dbraw/zinc/10/11/64/1100101164.db2.gz OJUQGGHHKLWBJT-WFASDCNBSA-N 2 1 303.837 3.395 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c12 ZINC001237383131 1100101170 /nfs/dbraw/zinc/10/11/70/1100101170.db2.gz OJUQGGHHKLWBJT-WFASDCNBSA-N 2 1 303.837 3.395 20 0 DGADMP c1csc(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)n1 ZINC001237403050 1100112081 /nfs/dbraw/zinc/11/20/81/1100112081.db2.gz JUQPBROONIBMFK-DOTOQJQBSA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)n1 ZINC001237403050 1100112084 /nfs/dbraw/zinc/11/20/84/1100112084.db2.gz JUQPBROONIBMFK-DOTOQJQBSA-N 2 1 313.470 3.384 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237405477 1100114284 /nfs/dbraw/zinc/11/42/84/1100114284.db2.gz QRVKBFKWKLXQBX-AEFFLSMTSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237405477 1100114288 /nfs/dbraw/zinc/11/42/88/1100114288.db2.gz QRVKBFKWKLXQBX-AEFFLSMTSA-N 2 1 302.462 3.438 20 0 DGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2CCCCC[NH3+])cc1 ZINC001237409462 1100115884 /nfs/dbraw/zinc/11/58/84/1100115884.db2.gz HIXIEUJXHGITDH-QGZVFWFLSA-N 2 1 304.434 3.129 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415265 1100120421 /nfs/dbraw/zinc/12/04/21/1100120421.db2.gz PORPXWDHKPMZLE-VQIMIIECSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415265 1100120425 /nfs/dbraw/zinc/12/04/25/1100120425.db2.gz PORPXWDHKPMZLE-VQIMIIECSA-N 2 1 302.462 3.356 20 0 DGADMP COc1ccc2sc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237417745 1100121393 /nfs/dbraw/zinc/12/13/93/1100121393.db2.gz UVYQDODRHDUDNX-CXAGYDPISA-N 2 1 316.470 3.484 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237417745 1100121401 /nfs/dbraw/zinc/12/14/01/1100121401.db2.gz UVYQDODRHDUDNX-CXAGYDPISA-N 2 1 316.470 3.484 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001237712696 1100223550 /nfs/dbraw/zinc/22/35/50/1100223550.db2.gz FGLKBRMXPRALDJ-GOSISDBHSA-N 2 1 312.413 3.360 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@H]3CO)cc21 ZINC001237880506 1100278306 /nfs/dbraw/zinc/27/83/06/1100278306.db2.gz GPTWYGWPYIZJEU-KRWDZBQOSA-N 2 1 300.446 3.035 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)cc21 ZINC001237877744 1100278363 /nfs/dbraw/zinc/27/83/63/1100278363.db2.gz BNUGHPGJLXJKKN-PKOBYXMFSA-N 2 1 324.468 3.489 20 0 DGADMP COC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237881216 1100279623 /nfs/dbraw/zinc/27/96/23/1100279623.db2.gz OEHMVKNRRSHPHN-KRWDZBQOSA-N 2 1 300.446 3.299 20 0 DGADMP CCOC(=O)CC[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237884720 1100283320 /nfs/dbraw/zinc/28/33/20/1100283320.db2.gz DWEDHTQHHFEYQZ-UHFFFAOYSA-N 2 1 316.445 3.073 20 0 DGADMP C[N@H+](Cc1ccccc1C1CCOCC1)CC1CC[NH+](C)CC1 ZINC001237902974 1100288057 /nfs/dbraw/zinc/28/80/57/1100288057.db2.gz UOICBKNOBWAMKT-UHFFFAOYSA-N 2 1 316.489 3.354 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3cncc(Cl)c3Cl)C2)CC1 ZINC001238010551 1100325259 /nfs/dbraw/zinc/32/52/59/1100325259.db2.gz CMZHLGQZOVFCQK-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cncc(Cl)c3Cl)C2)CC1 ZINC001238010551 1100325265 /nfs/dbraw/zinc/32/52/65/1100325265.db2.gz CMZHLGQZOVFCQK-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP CC[C@H](C)[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001190865597 1100355399 /nfs/dbraw/zinc/35/53/99/1100355399.db2.gz YLQXGPSGCFTZFF-OALUTQOASA-N 2 1 317.521 3.171 20 0 DGADMP COc1cccc(CCC[N@H+](C)Cc2cccc3c[nH+]cn32)c1 ZINC001238111033 1100364254 /nfs/dbraw/zinc/36/42/54/1100364254.db2.gz QJDPZQCMMPJADV-UHFFFAOYSA-N 2 1 309.413 3.408 20 0 DGADMP COc1cccc(CCC[N@@H+](C)Cc2cccc3c[nH+]cn32)c1 ZINC001238111033 1100364270 /nfs/dbraw/zinc/36/42/70/1100364270.db2.gz QJDPZQCMMPJADV-UHFFFAOYSA-N 2 1 309.413 3.408 20 0 DGADMP Oc1ccc(C2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238110465 1100364464 /nfs/dbraw/zinc/36/44/64/1100364464.db2.gz OIOOUQCOKQCYDE-UHFFFAOYSA-N 2 1 307.397 3.420 20 0 DGADMP Cc1c(Cl)ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1C ZINC001238218098 1100396636 /nfs/dbraw/zinc/39/66/36/1100396636.db2.gz INTZLLGDYUGJFA-UHFFFAOYSA-N 2 1 323.912 3.026 20 0 DGADMP Cc1cnc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC001238431967 1100442249 /nfs/dbraw/zinc/44/22/49/1100442249.db2.gz JGPGOWIZHJQITI-BGYRXZFFSA-N 2 1 321.468 3.262 20 0 DGADMP CC(C)Oc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc1F ZINC001238459399 1100449936 /nfs/dbraw/zinc/44/99/36/1100449936.db2.gz XSAGJSKRZBEIHD-UHFFFAOYSA-N 2 1 306.425 3.141 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(F)c(C4CC4)c3)C[C@H]2C1 ZINC001238515684 1100463265 /nfs/dbraw/zinc/46/32/65/1100463265.db2.gz KQEYDSNCVGMFJQ-CALCHBBNSA-N 2 1 302.437 3.477 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@@H+]1C ZINC001191416166 1100463259 /nfs/dbraw/zinc/46/32/59/1100463259.db2.gz FKDCLTRRAXPKPK-RDJZCZTQSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@H+]1C ZINC001191416166 1100463261 /nfs/dbraw/zinc/46/32/61/1100463261.db2.gz FKDCLTRRAXPKPK-RDJZCZTQSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416166 1100463264 /nfs/dbraw/zinc/46/32/64/1100463264.db2.gz FKDCLTRRAXPKPK-RDJZCZTQSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416166 1100463266 /nfs/dbraw/zinc/46/32/66/1100463266.db2.gz FKDCLTRRAXPKPK-RDJZCZTQSA-N 2 1 304.554 3.146 20 0 DGADMP CC[NH+](CC)CCCN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001191510921 1100476239 /nfs/dbraw/zinc/47/62/39/1100476239.db2.gz SLUZRPWMFTZCEE-HXUWFJFHSA-N 2 1 317.521 3.315 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(OCC)ccc3C)C[C@@H]2C1 ZINC001238712127 1100510067 /nfs/dbraw/zinc/51/00/67/1100510067.db2.gz NHWZERSBSROCID-ROUUACIJSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)cc3OC)C[C@H]2C1 ZINC001238769111 1100524404 /nfs/dbraw/zinc/52/44/04/1100524404.db2.gz IBQBCHQTEMLVRA-QZTJIDSGSA-N 2 1 302.462 3.086 20 0 DGADMP c1ccc(C[N@H+]2CCc3c(ccnc3C3=CCC[NH2+]CC3)C2)cc1 ZINC001238939136 1100560517 /nfs/dbraw/zinc/56/05/17/1100560517.db2.gz TZEDLPMQUIMTEC-UHFFFAOYSA-N 2 1 319.452 3.407 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591691 1100605614 /nfs/dbraw/zinc/60/56/14/1100605614.db2.gz NZASWSDDMAEBGL-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591691 1100605617 /nfs/dbraw/zinc/60/56/17/1100605617.db2.gz NZASWSDDMAEBGL-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)CC[C@H]1C[NH3+] ZINC001205618283 1100690400 /nfs/dbraw/zinc/69/04/00/1100690400.db2.gz UEBJHJQDAUJEPY-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205618950 1100702061 /nfs/dbraw/zinc/70/20/61/1100702061.db2.gz ZNSNTGKXTRIINY-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1ccccc1CN1CCC([NH3+])CC1 ZINC001239682818 1100724375 /nfs/dbraw/zinc/72/43/75/1100724375.db2.gz DIGRQAXGURDCFM-UHFFFAOYSA-N 2 1 323.484 3.338 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001240051591 1100846369 /nfs/dbraw/zinc/84/63/69/1100846369.db2.gz SKXTTZDEVKRLBS-UHFFFAOYSA-N 2 1 319.412 3.234 20 0 DGADMP C[C@H]([NH3+])c1ccccc1-c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001240299166 1100931613 /nfs/dbraw/zinc/93/16/13/1100931613.db2.gz NTBTYFZALMXIBU-INIZCTEOSA-N 2 1 309.457 3.121 20 0 DGADMP C[C@@H]([NH3+])c1cccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC001240408334 1100982117 /nfs/dbraw/zinc/98/21/17/1100982117.db2.gz JPNHBQFVNGTOCN-MRXNPFEDSA-N 2 1 309.457 3.121 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3ccccc3C(C)(C)[NH3+])cc2)CC1 ZINC001240408392 1100982326 /nfs/dbraw/zinc/98/23/26/1100982326.db2.gz HMKQPNQLPLVFSM-UHFFFAOYSA-N 2 1 323.484 3.295 20 0 DGADMP C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[N@@H+]1C ZINC001194747035 1100994798 /nfs/dbraw/zinc/99/47/98/1100994798.db2.gz YKHIEMYNQTYMPT-HDICACEKSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)N1C ZINC001194747035 1100994804 /nfs/dbraw/zinc/99/48/04/1100994804.db2.gz YKHIEMYNQTYMPT-HDICACEKSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)N1C ZINC001194747035 1100994812 /nfs/dbraw/zinc/99/48/12/1100994812.db2.gz YKHIEMYNQTYMPT-HDICACEKSA-N 2 1 315.505 3.197 20 0 DGADMP c1cc(-c2ccc([C@H]3CCC[NH2+]3)cn2)ccc1C[NH+]1CCOCC1 ZINC001240474336 1101012029 /nfs/dbraw/zinc/01/20/29/1101012029.db2.gz OMGFUVGHUJBWDU-LJQANCHMSA-N 2 1 323.440 3.005 20 0 DGADMP c1cc(-c2cccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)c2)n[nH]1 ZINC001240561776 1101049695 /nfs/dbraw/zinc/04/96/95/1101049695.db2.gz MHPHMNYTHTVBBA-UHFFFAOYSA-N 2 1 315.380 3.078 20 0 DGADMP C[NH+]1CCN(C2(c3ccc(-c4cccc(C[NH3+])c4)cc3)CC2)CC1 ZINC001240582558 1101060061 /nfs/dbraw/zinc/06/00/61/1101060061.db2.gz OAXAZEIRNWUOKK-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C(C)C)c(C)c1 ZINC001195412365 1101130688 /nfs/dbraw/zinc/13/06/88/1101130688.db2.gz CXGBGZRKXNYELV-FQEVSTJZSA-N 2 1 320.521 3.463 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C(C)C)c(C)c1 ZINC001195412365 1101130693 /nfs/dbraw/zinc/13/06/93/1101130693.db2.gz CXGBGZRKXNYELV-FQEVSTJZSA-N 2 1 320.521 3.463 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001195412365 1101130697 /nfs/dbraw/zinc/13/06/97/1101130697.db2.gz CXGBGZRKXNYELV-FQEVSTJZSA-N 2 1 320.521 3.463 20 0 DGADMP [NH3+]Cc1cccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001240858839 1101161345 /nfs/dbraw/zinc/16/13/45/1101161345.db2.gz DALCDPLJSMHYSI-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP CC(C)Oc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1F ZINC001278322788 1101205156 /nfs/dbraw/zinc/20/51/56/1101205156.db2.gz WMIMXXISTOZISN-CALCHBBNSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1F ZINC001278322788 1101205158 /nfs/dbraw/zinc/20/51/58/1101205158.db2.gz WMIMXXISTOZISN-CALCHBBNSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1F ZINC001278322788 1101205162 /nfs/dbraw/zinc/20/51/62/1101205162.db2.gz WMIMXXISTOZISN-CALCHBBNSA-N 2 1 320.452 3.387 20 0 DGADMP CC(=O)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1F ZINC001241258770 1101327827 /nfs/dbraw/zinc/32/78/27/1101327827.db2.gz OMFDXMMNBQEIRM-UHFFFAOYSA-N 2 1 309.344 3.030 20 0 DGADMP CCCC[N@H+](CCN(C#N)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546257 1101337249 /nfs/dbraw/zinc/33/72/49/1101337249.db2.gz YIZNQZVQANRQOI-UHFFFAOYSA-N 2 1 308.514 3.201 20 0 DGADMP CCCC[N@@H+](CCN(C#N)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546257 1101337263 /nfs/dbraw/zinc/33/72/63/1101337263.db2.gz YIZNQZVQANRQOI-UHFFFAOYSA-N 2 1 308.514 3.201 20 0 DGADMP Cc1ncccc1C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196937113 1101438087 /nfs/dbraw/zinc/43/80/87/1101438087.db2.gz WYIFABORYXEAKX-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ncccc1C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196937113 1101438091 /nfs/dbraw/zinc/43/80/91/1101438091.db2.gz WYIFABORYXEAKX-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000080958721 1101488670 /nfs/dbraw/zinc/48/86/70/1101488670.db2.gz KHGZFTHYYYMZOD-CYBMUJFWSA-N 2 1 307.344 3.391 20 0 DGADMP C[NH+](C)Cc1ccnc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241502662 1101515547 /nfs/dbraw/zinc/51/55/47/1101515547.db2.gz RCMMOYYXCUOLTG-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP C[N@H+]1CCC=C(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001241564850 1101549559 /nfs/dbraw/zinc/54/95/59/1101549559.db2.gz CCHGINCIYICPTO-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[NH+]1CCC=C(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001241564850 1101549571 /nfs/dbraw/zinc/54/95/71/1101549571.db2.gz CCHGINCIYICPTO-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[NH+]1CCC=C(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001241564850 1101549580 /nfs/dbraw/zinc/54/95/80/1101549580.db2.gz CCHGINCIYICPTO-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc4nc[nH]c4c3)cc2)CC1 ZINC001241703438 1101648544 /nfs/dbraw/zinc/64/85/44/1101648544.db2.gz JXLLTMCRFWKEIG-UHFFFAOYSA-N 2 1 306.413 3.153 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccccc1CO[C@H]1CCCC[C@@H]1[NH3+] ZINC001242096392 1101907770 /nfs/dbraw/zinc/90/77/70/1101907770.db2.gz KRONENNEADNICK-ROUUACIJSA-N 2 1 311.429 3.426 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1N(C)C ZINC001199336895 1102109605 /nfs/dbraw/zinc/10/96/05/1102109605.db2.gz ZQWRIQVJOYOGEH-QGZVFWFLSA-N 2 1 303.494 3.497 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001199843588 1102222231 /nfs/dbraw/zinc/22/22/31/1102222231.db2.gz PBDZKQVCHGYARS-MUYFXNHWSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Br)c1 ZINC001205904402 1102449079 /nfs/dbraw/zinc/44/90/79/1102449079.db2.gz UVOSGZAOEQJMBG-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Br)c1 ZINC001205904402 1102449082 /nfs/dbraw/zinc/44/90/82/1102449082.db2.gz UVOSGZAOEQJMBG-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904210 1102449972 /nfs/dbraw/zinc/44/99/72/1102449972.db2.gz TTZHNUVOIWZKFO-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904210 1102449976 /nfs/dbraw/zinc/44/99/76/1102449976.db2.gz TTZHNUVOIWZKFO-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCCCC1)C2 ZINC001201390444 1102578786 /nfs/dbraw/zinc/57/87/86/1102578786.db2.gz VIHRKDVZEMGKQB-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCCCC1)C2 ZINC001201390444 1102578794 /nfs/dbraw/zinc/57/87/94/1102578794.db2.gz VIHRKDVZEMGKQB-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCCCC1)C2 ZINC001201390444 1102578799 /nfs/dbraw/zinc/57/87/99/1102578799.db2.gz VIHRKDVZEMGKQB-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP CC(C)=CCC[C@@H](C)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201495950 1102612570 /nfs/dbraw/zinc/61/25/70/1102612570.db2.gz IUKQWYVOVAOJRN-LJQANCHMSA-N 2 1 321.553 3.328 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201541502 1102629679 /nfs/dbraw/zinc/62/96/79/1102629679.db2.gz FYVCRDSPFTUGIN-NEWSRXKRSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201541502 1102629683 /nfs/dbraw/zinc/62/96/83/1102629683.db2.gz FYVCRDSPFTUGIN-NEWSRXKRSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201541502 1102629689 /nfs/dbraw/zinc/62/96/89/1102629689.db2.gz FYVCRDSPFTUGIN-NEWSRXKRSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201544482 1102633992 /nfs/dbraw/zinc/63/39/92/1102633992.db2.gz XSKWHKNTWTWAAF-QXAKKESOSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001201544482 1102633998 /nfs/dbraw/zinc/63/39/98/1102633998.db2.gz XSKWHKNTWTWAAF-QXAKKESOSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001201544482 1102634000 /nfs/dbraw/zinc/63/40/00/1102634000.db2.gz XSKWHKNTWTWAAF-QXAKKESOSA-N 2 1 308.510 3.103 20 0 DGADMP CCCC[C@H](CC)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001201566154 1102654615 /nfs/dbraw/zinc/65/46/15/1102654615.db2.gz QUPICMMPTGBGDF-INIZCTEOSA-N 2 1 300.487 3.020 20 0 DGADMP CCCC[C@@H](CC)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201572401 1102656309 /nfs/dbraw/zinc/65/63/09/1102656309.db2.gz KBFVAIOEURAXEF-GOSISDBHSA-N 2 1 309.542 3.162 20 0 DGADMP CCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201638440 1102667078 /nfs/dbraw/zinc/66/70/78/1102667078.db2.gz OXBVRKGFIAUKHB-HNNXBMFYSA-N 2 1 308.491 3.213 20 0 DGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201617444 1102672933 /nfs/dbraw/zinc/67/29/33/1102672933.db2.gz KTOKJENLPGIXMY-QYZOEREBSA-N 2 1 318.509 3.102 20 0 DGADMP CC(C)CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201617444 1102672941 /nfs/dbraw/zinc/67/29/41/1102672941.db2.gz KTOKJENLPGIXMY-QYZOEREBSA-N 2 1 318.509 3.102 20 0 DGADMP CC(C)CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201617444 1102672951 /nfs/dbraw/zinc/67/29/51/1102672951.db2.gz KTOKJENLPGIXMY-QYZOEREBSA-N 2 1 318.509 3.102 20 0 DGADMP CC(C)CC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201617641 1102673562 /nfs/dbraw/zinc/67/35/62/1102673562.db2.gz MXCAWUYLNVXBRC-KRWDZBQOSA-N 2 1 320.477 3.381 20 0 DGADMP CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001201711829 1102698605 /nfs/dbraw/zinc/69/86/05/1102698605.db2.gz XICKFWLPCNQVRQ-UHFFFAOYSA-N 2 1 316.489 3.462 20 0 DGADMP CCCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001201749845 1102716044 /nfs/dbraw/zinc/71/60/44/1102716044.db2.gz CUYYSMQIROWVAE-UHFFFAOYSA-N 2 1 318.509 3.431 20 0 DGADMP CCCCCC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001201749845 1102716048 /nfs/dbraw/zinc/71/60/48/1102716048.db2.gz CUYYSMQIROWVAE-UHFFFAOYSA-N 2 1 318.509 3.431 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CC2CCCCCC2)C1 ZINC001201954072 1102770993 /nfs/dbraw/zinc/77/09/93/1102770993.db2.gz GLKHLJYRMVXFNG-FQEVSTJZSA-N 2 1 316.489 3.313 20 0 DGADMP CCOc1c(F)cccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243535318 1102786124 /nfs/dbraw/zinc/78/61/24/1102786124.db2.gz QCDKLHJDSRZZBD-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001202073565 1102834835 /nfs/dbraw/zinc/83/48/35/1102834835.db2.gz RDWXZDCEZWKUKI-IEBWSBKVSA-N 2 1 308.510 3.103 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001202073565 1102834846 /nfs/dbraw/zinc/83/48/46/1102834846.db2.gz RDWXZDCEZWKUKI-IEBWSBKVSA-N 2 1 308.510 3.103 20 0 DGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018229 1103017822 /nfs/dbraw/zinc/01/78/22/1103017822.db2.gz NONJNAVDALGEEP-TVFCKZIOSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-c3cnn(C)c3)cc1)CC[NH2+]CC2 ZINC001326095949 1103207163 /nfs/dbraw/zinc/20/71/63/1103207163.db2.gz OUCIODLFIBIZCV-INIZCTEOSA-N 2 1 324.472 3.051 20 0 DGADMP COc1ccc(C[C@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC001326277044 1103253935 /nfs/dbraw/zinc/25/39/35/1103253935.db2.gz GZRZITSMYLKOQJ-INIZCTEOSA-N 2 1 304.478 3.338 20 0 DGADMP CC(C)C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001326407802 1103304550 /nfs/dbraw/zinc/30/45/50/1103304550.db2.gz FZJVTZGUBMWBDZ-MRXNPFEDSA-N 2 1 317.477 3.103 20 0 DGADMP Cc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276319563 1103489185 /nfs/dbraw/zinc/48/91/85/1103489185.db2.gz LPZJUMJONWOIBZ-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2O1 ZINC001327003764 1103497607 /nfs/dbraw/zinc/49/76/07/1103497607.db2.gz HZXPVTVAKLYARG-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP COc1ccc(C)c(F)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244566735 1103528396 /nfs/dbraw/zinc/52/83/96/1103528396.db2.gz BFRKEJAAXMHUKP-UHFFFAOYSA-N 2 1 311.360 3.144 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC001327838771 1103738600 /nfs/dbraw/zinc/73/86/00/1103738600.db2.gz CWRGEVDGRMRFGA-QWRGUYRKSA-N 2 1 300.830 3.006 20 0 DGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)c1 ZINC001202486648 1103775366 /nfs/dbraw/zinc/77/53/66/1103775366.db2.gz HREBYBNDCBTKLC-MRXNPFEDSA-N 2 1 320.502 3.073 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ncc(Cl)s2)CC1 ZINC001137109190 1103986114 /nfs/dbraw/zinc/98/61/14/1103986114.db2.gz BYEXLHJOCXDXSV-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ncc(Cl)s2)CC1 ZINC001137109190 1103986120 /nfs/dbraw/zinc/98/61/20/1103986120.db2.gz BYEXLHJOCXDXSV-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)CC2CCOCC2)CC1 ZINC001202608816 1104078387 /nfs/dbraw/zinc/07/83/87/1104078387.db2.gz BPKLNYDGCFPEBH-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)CC2CCOCC2)CC1 ZINC001202608816 1104078396 /nfs/dbraw/zinc/07/83/96/1104078396.db2.gz BPKLNYDGCFPEBH-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4cc(C)ccc4n3)C[C@H]2C1 ZINC001137218893 1104160494 /nfs/dbraw/zinc/16/04/94/1104160494.db2.gz QFAIXRLPMGHSDC-QZTJIDSGSA-N 2 1 309.457 3.317 20 0 DGADMP COc1cc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)c1 ZINC001245679749 1104191430 /nfs/dbraw/zinc/19/14/30/1104191430.db2.gz NPUMACVGILJRIE-UHFFFAOYSA-N 2 1 307.397 3.314 20 0 DGADMP Brc1sccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001202750473 1104203713 /nfs/dbraw/zinc/20/37/13/1104203713.db2.gz TWHHPNCZVZMRSS-UHFFFAOYSA-N 2 1 322.231 3.448 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001329375668 1104237349 /nfs/dbraw/zinc/23/73/49/1104237349.db2.gz MWQWZDMEXHCNPH-RDJZCZTQSA-N 2 1 313.470 3.384 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001329375668 1104237355 /nfs/dbraw/zinc/23/73/55/1104237355.db2.gz MWQWZDMEXHCNPH-RDJZCZTQSA-N 2 1 313.470 3.384 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001246065389 1104363725 /nfs/dbraw/zinc/36/37/25/1104363725.db2.gz OBMITVJPVXCSEZ-CTWPCTMYSA-N 2 1 304.478 3.310 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246068808 1104364512 /nfs/dbraw/zinc/36/45/12/1104364512.db2.gz KUUIVVOAWZGXOV-GOSISDBHSA-N 2 1 324.896 3.445 20 0 DGADMP CCC[C@@H](O)C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069108 1104365403 /nfs/dbraw/zinc/36/54/03/1104365403.db2.gz KQHCBBIRXJRWEL-GUDVDZBRSA-N 2 1 304.478 3.228 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073559 1104368153 /nfs/dbraw/zinc/36/81/53/1104368153.db2.gz GZCPMAVHLVGNCM-OTWHNJEPSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073559 1104368164 /nfs/dbraw/zinc/36/81/64/1104368164.db2.gz GZCPMAVHLVGNCM-OTWHNJEPSA-N 2 1 315.505 3.017 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c(OC)c1 ZINC001246074962 1104369093 /nfs/dbraw/zinc/36/90/93/1104369093.db2.gz RMBFZRMRHZVYRY-MRXNPFEDSA-N 2 1 318.461 3.248 20 0 DGADMP C[C@H]1CC([NH2+]Cc2cc(F)cc(Br)c2)C[C@H](C)[NH2+]1 ZINC001246077509 1104372242 /nfs/dbraw/zinc/37/22/42/1104372242.db2.gz UIZYFSACPQJSHX-UWVGGRQHSA-N 2 1 315.230 3.207 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001274398857 1104372989 /nfs/dbraw/zinc/37/29/89/1104372989.db2.gz XESJCZDRHNRLCL-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C[NH2+]1 ZINC001246084700 1104378926 /nfs/dbraw/zinc/37/89/26/1104378926.db2.gz MAUSHHGUPVXMHD-ZFWWWQNUSA-N 2 1 307.869 3.039 20 0 DGADMP C[C@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[NH2+]1 ZINC001246086320 1104379383 /nfs/dbraw/zinc/37/93/83/1104379383.db2.gz UCJOWVOESJBYJF-UHOSZYNNSA-N 2 1 315.505 3.160 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC[NH2+]1 ZINC001246091945 1104381137 /nfs/dbraw/zinc/38/11/37/1104381137.db2.gz BNLUTJCGTAXGMR-KMFMINBZSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@H]1C[C@@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104939 1104388146 /nfs/dbraw/zinc/38/81/46/1104388146.db2.gz AEXZFBXDHSQTIP-XEYPJELSSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC001246104939 1104388157 /nfs/dbraw/zinc/38/81/57/1104388157.db2.gz AEXZFBXDHSQTIP-XEYPJELSSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC001246104939 1104388168 /nfs/dbraw/zinc/38/81/68/1104388168.db2.gz AEXZFBXDHSQTIP-XEYPJELSSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104939 1104388180 /nfs/dbraw/zinc/38/81/80/1104388180.db2.gz AEXZFBXDHSQTIP-XEYPJELSSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246108174 1104391110 /nfs/dbraw/zinc/39/11/10/1104391110.db2.gz GAQIJKAFMVANLU-YWPYICTPSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113842 1104391669 /nfs/dbraw/zinc/39/16/69/1104391669.db2.gz OBHDYDDIVNNERR-MLGOLLRUSA-N 2 1 316.823 3.482 20 0 DGADMP c1ccc(COc2ccc3c(c2)C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CC3)cc1 ZINC001246113512 1104392430 /nfs/dbraw/zinc/39/24/30/1104392430.db2.gz BRVCXEWYCDLWPR-WOJBJXKFSA-N 2 1 322.452 3.074 20 0 DGADMP F[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246116222 1104393555 /nfs/dbraw/zinc/39/35/55/1104393555.db2.gz WBAWCSSLOBKXEC-SJORKVTESA-N 2 1 310.844 3.269 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246129632 1104399355 /nfs/dbraw/zinc/39/93/55/1104399355.db2.gz GTWHIEIZEBWPKV-BONVTDFDSA-N 2 1 314.807 3.281 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246138279 1104401563 /nfs/dbraw/zinc/40/15/63/1104401563.db2.gz XWYVXSOJBGBFBO-VBNZEHGJSA-N 2 1 323.278 3.254 20 0 DGADMP F[C@]1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246149310 1104406785 /nfs/dbraw/zinc/40/67/85/1104406785.db2.gz UGNSLDGOAOAHDO-SWLSCSKDSA-N 2 1 317.235 3.142 20 0 DGADMP F[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246149308 1104407324 /nfs/dbraw/zinc/40/73/24/1104407324.db2.gz UGNSLDGOAOAHDO-IUODEOHRSA-N 2 1 317.235 3.142 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246155433 1104410038 /nfs/dbraw/zinc/41/00/38/1104410038.db2.gz YCHDJGPBXCVWEB-JOCLIGHLSA-N 2 1 310.441 3.191 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246160652 1104411598 /nfs/dbraw/zinc/41/15/98/1104411598.db2.gz VGMJICREYHMSHE-VXGBXAGGSA-N 2 1 304.331 3.465 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC001246162925 1104411889 /nfs/dbraw/zinc/41/18/89/1104411889.db2.gz JALDKDDBPVXHJT-GFCCVEGCSA-N 2 1 304.331 3.465 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246172828 1104419291 /nfs/dbraw/zinc/41/92/91/1104419291.db2.gz CZPZEWVYLISKQB-CTNGQTDRSA-N 2 1 323.484 3.378 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(F)CCCNC1 ZINC001246184882 1104427787 /nfs/dbraw/zinc/42/77/87/1104427787.db2.gz VVNQTFSFPJFFTL-IAQYHMDHSA-N 2 1 302.796 3.091 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001246190444 1104429449 /nfs/dbraw/zinc/42/94/49/1104429449.db2.gz NGLUWZHBINNPGK-KZNAEPCWSA-N 2 1 303.494 3.046 20 0 DGADMP C[C@@H](CC1CC1)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246192866 1104431560 /nfs/dbraw/zinc/43/15/60/1104431560.db2.gz ZQRHAGCFSAAOQI-YJBOKZPZSA-N 2 1 318.461 3.006 20 0 DGADMP CCCC[C@@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206584 1104437441 /nfs/dbraw/zinc/43/74/41/1104437441.db2.gz IEXZHHYKRSJXAB-CABCVRRESA-N 2 1 300.487 3.384 20 0 DGADMP C[C@H]1CC([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246216853 1104440223 /nfs/dbraw/zinc/44/02/23/1104440223.db2.gz QCNNUYLDCCMDPG-LNLFQRSKSA-N 3 1 315.505 3.017 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246220060 1104443536 /nfs/dbraw/zinc/44/35/36/1104443536.db2.gz CKCWOLJUAREDAZ-NOCIGQNYSA-N 3 1 319.468 3.034 20 0 DGADMP OC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246231042 1104449310 /nfs/dbraw/zinc/44/93/10/1104449310.db2.gz RBAMKIUQZKYJRZ-HSALFYBXSA-N 2 1 316.489 3.401 20 0 DGADMP COc1cccc(C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)c1C(F)(F)F ZINC001246236977 1104452499 /nfs/dbraw/zinc/45/24/99/1104452499.db2.gz VOKBVOCZLZWLNQ-GHMZBOCLSA-N 2 1 316.367 3.333 20 0 DGADMP COC(=O)[C@H](CC1CCCCC1)[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246241193 1104453642 /nfs/dbraw/zinc/45/36/42/1104453642.db2.gz QTJHFLBGMUNYGI-HFCFLWKCSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2Br)C[NH2+]1 ZINC001246255116 1104461348 /nfs/dbraw/zinc/46/13/48/1104461348.db2.gz KBVCRAUIHANVRB-GXTWGEPZSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246259763 1104462146 /nfs/dbraw/zinc/46/21/46/1104462146.db2.gz PWEYQUIINNIVJF-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP CCC[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246269130 1104467396 /nfs/dbraw/zinc/46/73/96/1104467396.db2.gz KYRYAMAKAQEXJY-ZDUSSCGKSA-N 2 1 301.261 3.440 20 0 DGADMP CC1(C)C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246269014 1104467742 /nfs/dbraw/zinc/46/77/42/1104467742.db2.gz AOJJYGPZNOSCCH-RTBURBONSA-N 2 1 315.505 3.161 20 0 DGADMP CC1(C)C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246269014 1104467750 /nfs/dbraw/zinc/46/77/50/1104467750.db2.gz AOJJYGPZNOSCCH-RTBURBONSA-N 3 1 315.505 3.161 20 0 DGADMP CC1(C)C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246269014 1104467757 /nfs/dbraw/zinc/46/77/57/1104467757.db2.gz AOJJYGPZNOSCCH-RTBURBONSA-N 3 1 315.505 3.161 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298374 1104478407 /nfs/dbraw/zinc/47/84/07/1104478407.db2.gz AIFXVDYXWQSCJA-QRVBRYPASA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298374 1104478408 /nfs/dbraw/zinc/47/84/08/1104478408.db2.gz AIFXVDYXWQSCJA-QRVBRYPASA-N 2 1 315.505 3.017 20 0 DGADMP CCCC[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298734 1104478642 /nfs/dbraw/zinc/47/86/42/1104478642.db2.gz DSJQHPXRDVOZIZ-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298734 1104478649 /nfs/dbraw/zinc/47/86/49/1104478649.db2.gz DSJQHPXRDVOZIZ-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CC(C)C[C@@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246310161 1104482816 /nfs/dbraw/zinc/48/28/16/1104482816.db2.gz MWXNIHJQSZWQPE-PIKOESSRSA-N 2 1 317.521 3.391 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3cc(F)ccc32)CC[NH2+]1 ZINC001246312687 1104483561 /nfs/dbraw/zinc/48/35/61/1104483561.db2.gz AJEGLEYMANEAHG-QRTARXTBSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246331270 1104494327 /nfs/dbraw/zinc/49/43/27/1104494327.db2.gz NVNOUJPFWZBUOA-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP CC(C)[C@@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246335229 1104495875 /nfs/dbraw/zinc/49/58/75/1104495875.db2.gz YHNIGPACKACOSW-NBMJBFSESA-N 2 1 303.494 3.001 20 0 DGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246332686 1104496080 /nfs/dbraw/zinc/49/60/80/1104496080.db2.gz SFKSXSBYFOEBAV-QGZVFWFLSA-N 2 1 321.896 3.287 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC001246338987 1104497447 /nfs/dbraw/zinc/49/74/47/1104497447.db2.gz HNCGSQVYEJEOKF-AFYVEPGGSA-N 2 1 313.489 3.043 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@H+]1Cc1ccccc1 ZINC001246338987 1104497450 /nfs/dbraw/zinc/49/74/50/1104497450.db2.gz HNCGSQVYEJEOKF-AFYVEPGGSA-N 2 1 313.489 3.043 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246344878 1104500595 /nfs/dbraw/zinc/50/05/95/1104500595.db2.gz KBCBUTXSYWVIHH-NBMJBFSESA-N 2 1 317.521 3.391 20 0 DGADMP Nc1cccc(CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246350890 1104502331 /nfs/dbraw/zinc/50/23/31/1104502331.db2.gz NFKLZDFEOXUDQJ-PMACEKPBSA-N 2 1 309.457 3.284 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246358085 1104506284 /nfs/dbraw/zinc/50/62/84/1104506284.db2.gz YWIYDZGJXWIBRO-HKBOAZHASA-N 2 1 324.468 3.327 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@@H]1N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246358787 1104506718 /nfs/dbraw/zinc/50/67/18/1104506718.db2.gz BRHLWYPJYKGUDT-QZTJIDSGSA-N 2 1 319.537 3.438 20 0 DGADMP CC(C)(C)[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246361660 1104507355 /nfs/dbraw/zinc/50/73/55/1104507355.db2.gz MVGFKTVRIYJANE-CEXWTWQISA-N 2 1 321.553 3.397 20 0 DGADMP CCCC[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246360074 1104507370 /nfs/dbraw/zinc/50/73/70/1104507370.db2.gz ILVZCIKWCSLKTF-OKZBNKHCSA-N 2 1 307.526 3.294 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246361661 1104507996 /nfs/dbraw/zinc/50/79/96/1104507996.db2.gz MVGFKTVRIYJANE-FHWLQOOXSA-N 2 1 321.553 3.397 20 0 DGADMP Clc1ccccc1C1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)COC1 ZINC001246360428 1104508611 /nfs/dbraw/zinc/50/86/11/1104508611.db2.gz FUAMTEVVRJEKHI-CQSZACIVSA-N 2 1 320.864 3.077 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246365672 1104511677 /nfs/dbraw/zinc/51/16/77/1104511677.db2.gz ZLPKEQILPLQCBZ-GBESFXJTSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC001246375715 1104515458 /nfs/dbraw/zinc/51/54/58/1104515458.db2.gz JLZFEPCCVDUYCS-NHCYSSNCSA-N 2 1 315.230 3.379 20 0 DGADMP C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396033 1104525447 /nfs/dbraw/zinc/52/54/47/1104525447.db2.gz AOABLKFTMIHZTI-UTRMSSBJSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396033 1104525452 /nfs/dbraw/zinc/52/54/52/1104525452.db2.gz AOABLKFTMIHZTI-UTRMSSBJSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396030 1104526144 /nfs/dbraw/zinc/52/61/44/1104526144.db2.gz AOABLKFTMIHZTI-QZHFEQFPSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396030 1104526153 /nfs/dbraw/zinc/52/61/53/1104526153.db2.gz AOABLKFTMIHZTI-QZHFEQFPSA-N 3 1 319.468 3.038 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1C(F)(F)F ZINC001246441632 1104541428 /nfs/dbraw/zinc/54/14/28/1104541428.db2.gz NOEFDUPAPPWLMS-WCQYABFASA-N 2 1 316.367 3.334 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246442355 1104541899 /nfs/dbraw/zinc/54/18/99/1104541899.db2.gz NMCSNPLCFYCGBG-AFYVEPGGSA-N 2 1 315.505 3.207 20 0 DGADMP CC[C@@]1(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC001246454621 1104544565 /nfs/dbraw/zinc/54/45/65/1104544565.db2.gz DPIRLRRYGPXISX-UXHICEINSA-N 2 1 315.505 3.163 20 0 DGADMP CC[C@@]1(C[NH2+][C@@H]2Cc3ccc(Br)cc3C2)CCC[NH2+]1 ZINC001246458086 1104547372 /nfs/dbraw/zinc/54/73/72/1104547372.db2.gz WFLGFUKAMIOFJH-CVEARBPZSA-N 2 1 323.278 3.038 20 0 DGADMP c1ccc([C@@H](CC2CCOCC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246459845 1104547501 /nfs/dbraw/zinc/54/75/01/1104547501.db2.gz SRTZUANHCLBEQT-RTBURBONSA-N 2 1 302.462 3.276 20 0 DGADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460758 1104547770 /nfs/dbraw/zinc/54/77/70/1104547770.db2.gz MYKPMOSRDNZXRU-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP CCOC(=O)CC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001274934479 1104547832 /nfs/dbraw/zinc/54/78/32/1104547832.db2.gz XLYQBPDYBVDUKK-UHFFFAOYSA-N 2 1 322.493 3.060 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001246484991 1104560336 /nfs/dbraw/zinc/56/03/36/1104560336.db2.gz GDXBKBKOOLREGX-QWHCGFSZSA-N 2 1 314.807 3.032 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001246499041 1104564276 /nfs/dbraw/zinc/56/42/76/1104564276.db2.gz AFCFQVUICLIHAL-UPTPFMHGSA-N 2 1 324.509 3.386 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246496021 1104564640 /nfs/dbraw/zinc/56/46/40/1104564640.db2.gz SLRZKXRILREXJC-SCDSUCTJSA-N 2 1 324.266 3.036 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246497959 1104566330 /nfs/dbraw/zinc/56/63/30/1104566330.db2.gz PKUNMJWWMWDPHY-LMDPOFIKSA-N 3 1 307.526 3.140 20 0 DGADMP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](CCc2cccs2)CC3)c1 ZINC001274991177 1104571627 /nfs/dbraw/zinc/57/16/27/1104571627.db2.gz PWDQNSGNPLDCOU-UHFFFAOYSA-N 2 1 315.486 3.217 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246515572 1104574036 /nfs/dbraw/zinc/57/40/36/1104574036.db2.gz SKXZEBZVPRPACE-ULQDDVLXSA-N 3 1 307.526 3.198 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246524806 1104577444 /nfs/dbraw/zinc/57/74/44/1104577444.db2.gz RZOLXOCVNKVEHC-HNNXBMFYSA-N 2 1 304.865 3.273 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246524538 1104577859 /nfs/dbraw/zinc/57/78/59/1104577859.db2.gz MHVDKOJBBDUWMR-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246526931 1104578116 /nfs/dbraw/zinc/57/81/16/1104578116.db2.gz DGPAANVNDJRWDO-MSOLQXFVSA-N 2 1 321.896 3.239 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246529417 1104579041 /nfs/dbraw/zinc/57/90/41/1104579041.db2.gz KWIOVCKEZNYWHC-RTBURBONSA-N 2 1 315.505 3.284 20 0 DGADMP C[NH2+]C1CCC([N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001246532743 1104579717 /nfs/dbraw/zinc/57/97/17/1104579717.db2.gz JUQPVMLNQYJQGR-WSCVDHEUSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537496 1104583835 /nfs/dbraw/zinc/58/38/35/1104583835.db2.gz CSDSQNZECSEBKG-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537496 1104583846 /nfs/dbraw/zinc/58/38/46/1104583846.db2.gz CSDSQNZECSEBKG-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246539259 1104584159 /nfs/dbraw/zinc/58/41/59/1104584159.db2.gz GOMJTSREURYIIT-GMXVVIOVSA-N 2 1 301.261 3.451 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246543599 1104585463 /nfs/dbraw/zinc/58/54/63/1104585463.db2.gz UVPJYKPKACDOFE-OCCSQVGLSA-N 2 1 316.367 3.329 20 0 DGADMP CC[C@@H]1CC([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@@H](CC)[NH2+]1 ZINC001246548802 1104588446 /nfs/dbraw/zinc/58/84/46/1104588446.db2.gz OJHLILATDLNGNU-HZPDHXFCSA-N 2 1 318.461 3.199 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@@H](CC)[NH2+]1 ZINC001246548802 1104588454 /nfs/dbraw/zinc/58/84/54/1104588454.db2.gz OJHLILATDLNGNU-HZPDHXFCSA-N 2 1 318.461 3.199 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C[C@H]1C[NH3+] ZINC001246547905 1104588920 /nfs/dbraw/zinc/58/89/20/1104588920.db2.gz DBQAIIKBJZMHKJ-HUUCEWRRSA-N 2 1 321.896 3.226 20 0 DGADMP COc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246549657 1104590230 /nfs/dbraw/zinc/59/02/30/1104590230.db2.gz HPXSCTPYKFPPIU-WMZOPIPTSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246549657 1104590236 /nfs/dbraw/zinc/59/02/36/1104590236.db2.gz HPXSCTPYKFPPIU-WMZOPIPTSA-N 2 1 302.462 3.220 20 0 DGADMP C1=CC[C@H](C[N@@H+]2CCC[C@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040953 1104590712 /nfs/dbraw/zinc/59/07/12/1104590712.db2.gz XGSTZYRKNKFHKM-AZUAARDMSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@H](C[N@H+]2CCC[C@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040953 1104590716 /nfs/dbraw/zinc/59/07/16/1104590716.db2.gz XGSTZYRKNKFHKM-AZUAARDMSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@H](C[NH+]2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001275040953 1104590721 /nfs/dbraw/zinc/59/07/21/1104590721.db2.gz XGSTZYRKNKFHKM-AZUAARDMSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@H](C[NH+]2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001275040953 1104590725 /nfs/dbraw/zinc/59/07/25/1104590725.db2.gz XGSTZYRKNKFHKM-AZUAARDMSA-N 2 1 318.505 3.452 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3ccc(F)cc3)CC2)CC[C@H]1C[NH3+] ZINC001246556538 1104593712 /nfs/dbraw/zinc/59/37/12/1104593712.db2.gz HPBVPHRYSKOBTO-HOTGVXAUSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CCC[C@@H]1C[NH3+] ZINC001246559479 1104595507 /nfs/dbraw/zinc/59/55/07/1104595507.db2.gz AKUDDASBEDJTIZ-KZYLPZIUSA-N 2 1 324.509 3.194 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557996 1104596422 /nfs/dbraw/zinc/59/64/22/1104596422.db2.gz NKLZTVPBTUHKCG-AAEUAGOBSA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246562990 1104597062 /nfs/dbraw/zinc/59/70/62/1104597062.db2.gz IOKQUUZNRCDFMX-KGYLQXTDSA-N 2 1 312.379 3.020 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246564092 1104598631 /nfs/dbraw/zinc/59/86/31/1104598631.db2.gz YUAJHWQVNWNEPN-USXIJHARSA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001246573025 1104601857 /nfs/dbraw/zinc/60/18/57/1104601857.db2.gz DVYIPVVFZBJXQR-HXUWFJFHSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246573025 1104601861 /nfs/dbraw/zinc/60/18/61/1104601861.db2.gz DVYIPVVFZBJXQR-HXUWFJFHSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246573025 1104601865 /nfs/dbraw/zinc/60/18/65/1104601865.db2.gz DVYIPVVFZBJXQR-HXUWFJFHSA-N 3 1 315.505 3.102 20 0 DGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275066339 1104603458 /nfs/dbraw/zinc/60/34/58/1104603458.db2.gz VQYHBBPJLRLWCB-MOPGFXCFSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275066339 1104603461 /nfs/dbraw/zinc/60/34/61/1104603461.db2.gz VQYHBBPJLRLWCB-MOPGFXCFSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275066339 1104603463 /nfs/dbraw/zinc/60/34/63/1104603463.db2.gz VQYHBBPJLRLWCB-MOPGFXCFSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)[N@@H+](C1Cc2cc(F)c(F)cc2C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589286 1104607731 /nfs/dbraw/zinc/60/77/31/1104607731.db2.gz FBVRHYLEMGUAOZ-OAHLLOKOSA-N 2 1 308.416 3.285 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH2+][C@@H](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246592825 1104609521 /nfs/dbraw/zinc/60/95/21/1104609521.db2.gz HGOCGDBCXXVOHY-GNBUJSLZSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)C[C@@H](CC)[NH2+]1 ZINC001246591665 1104609772 /nfs/dbraw/zinc/60/97/72/1104609772.db2.gz NLHUZDGIKFZCBH-UMVBOHGHSA-N 2 1 322.415 3.075 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275074131 1104610579 /nfs/dbraw/zinc/61/05/79/1104610579.db2.gz PVPRLAPHDRXVEP-MOPGFXCFSA-N 2 1 309.542 3.162 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246592536 1104610677 /nfs/dbraw/zinc/61/06/77/1104610677.db2.gz KCCGBAVHBCZQNA-SJLPKXTDSA-N 2 1 304.478 3.479 20 0 DGADMP [NH3+]C[C@@H]1CCCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591374 1104610700 /nfs/dbraw/zinc/61/07/00/1104610700.db2.gz IQHCNDWYYFKANX-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591374 1104610702 /nfs/dbraw/zinc/61/07/02/1104610702.db2.gz IQHCNDWYYFKANX-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591374 1104610703 /nfs/dbraw/zinc/61/07/03/1104610703.db2.gz IQHCNDWYYFKANX-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001246591374 1104610705 /nfs/dbraw/zinc/61/07/05/1104610705.db2.gz IQHCNDWYYFKANX-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591374 1104610706 /nfs/dbraw/zinc/61/07/06/1104610706.db2.gz IQHCNDWYYFKANX-VQTJNVASSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591362 1104610711 /nfs/dbraw/zinc/61/07/11/1104610711.db2.gz IQHCNDWYYFKANX-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591362 1104610714 /nfs/dbraw/zinc/61/07/14/1104610714.db2.gz IQHCNDWYYFKANX-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591362 1104610716 /nfs/dbraw/zinc/61/07/16/1104610716.db2.gz IQHCNDWYYFKANX-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001246591362 1104610720 /nfs/dbraw/zinc/61/07/20/1104610720.db2.gz IQHCNDWYYFKANX-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591362 1104610724 /nfs/dbraw/zinc/61/07/24/1104610724.db2.gz IQHCNDWYYFKANX-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246591659 1104610841 /nfs/dbraw/zinc/61/08/41/1104610841.db2.gz NLHUZDGIKFZCBH-CBBWQLFWSA-N 2 1 322.415 3.075 20 0 DGADMP CCCCC[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246593798 1104612942 /nfs/dbraw/zinc/61/29/42/1104612942.db2.gz ICEVPLKYNGEJJY-LNLFQRSKSA-N 2 1 324.509 3.210 20 0 DGADMP CC[C@H]1C[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246597321 1104614181 /nfs/dbraw/zinc/61/41/81/1104614181.db2.gz UDSGZTRNAVEOBI-ZWKOTPCHSA-N 3 1 307.526 3.153 20 0 DGADMP C[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246596445 1104614244 /nfs/dbraw/zinc/61/42/44/1104614244.db2.gz QFSSFLNJRQQAKK-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246597318 1104614575 /nfs/dbraw/zinc/61/45/75/1104614575.db2.gz UDSGZTRNAVEOBI-MSOLQXFVSA-N 3 1 307.526 3.153 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600019 1104616099 /nfs/dbraw/zinc/61/60/99/1104616099.db2.gz CPWWRGOJWYGYIT-PKOBYXMFSA-N 2 1 324.509 3.354 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246601995 1104618146 /nfs/dbraw/zinc/61/81/46/1104618146.db2.gz AUTUFHXHMPAKMR-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246602768 1104619587 /nfs/dbraw/zinc/61/95/87/1104619587.db2.gz JKBDUPUCPQAZML-AABGKKOBSA-N 3 1 319.537 3.155 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246604179 1104619629 /nfs/dbraw/zinc/61/96/29/1104619629.db2.gz GZTGUZYZVDFNKF-LPHOPBHVSA-N 2 1 320.427 3.430 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@]34CCC[NH2+]CC4)CCN2)cc1 ZINC001246602823 1104619904 /nfs/dbraw/zinc/61/99/04/1104619904.db2.gz CSRPFTWZGYYCGH-HSALFYBXSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602823 1104619910 /nfs/dbraw/zinc/61/99/10/1104619910.db2.gz CSRPFTWZGYYCGH-HSALFYBXSA-N 3 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602823 1104619913 /nfs/dbraw/zinc/61/99/13/1104619913.db2.gz CSRPFTWZGYYCGH-HSALFYBXSA-N 3 1 313.489 3.088 20 0 DGADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246604368 1104620314 /nfs/dbraw/zinc/62/03/14/1104620314.db2.gz LGVOOVMAVHKRIM-IEBWSBKVSA-N 2 1 301.478 3.258 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001246605761 1104621890 /nfs/dbraw/zinc/62/18/90/1104621890.db2.gz CSHDPUGFQOQENC-LPHOPBHVSA-N 2 1 302.462 3.092 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CC2 ZINC001246606836 1104622058 /nfs/dbraw/zinc/62/20/58/1104622058.db2.gz CCURVSXYNACNOV-INIZCTEOSA-N 2 1 320.427 3.430 20 0 DGADMP CCCCC[C@H](CC)[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246606967 1104622835 /nfs/dbraw/zinc/62/28/35/1104622835.db2.gz YOVGBAQHBJDIGX-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246607636 1104625020 /nfs/dbraw/zinc/62/50/20/1104625020.db2.gz GZZFHESDPMBPJP-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001246608721 1104625056 /nfs/dbraw/zinc/62/50/56/1104625056.db2.gz VPCNZVXUSWAENZ-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246625773 1104632725 /nfs/dbraw/zinc/63/27/25/1104632725.db2.gz SXYNRMBSPZLWGH-JXFKEZNVSA-N 2 1 324.443 3.446 20 0 DGADMP CCCCCC(CCCCC)[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246625850 1104634392 /nfs/dbraw/zinc/63/43/92/1104634392.db2.gz HVUFYURZPVNCTL-UHFFFAOYSA-N 2 1 323.525 3.070 20 0 DGADMP Clc1cccc2c1CC[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)C2 ZINC001246626250 1104634624 /nfs/dbraw/zinc/63/46/24/1104634624.db2.gz HTKFATJKUOYRAC-OWCLPIDISA-N 2 1 304.865 3.129 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246627957 1104634780 /nfs/dbraw/zinc/63/47/80/1104634780.db2.gz BEAVWCUYEDXFSC-YJBOKZPZSA-N 2 1 304.865 3.415 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246627451 1104634994 /nfs/dbraw/zinc/63/49/94/1104634994.db2.gz JSHXLJCRYHKWLN-VQIMIIECSA-N 2 1 302.462 3.092 20 0 DGADMP CCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275120962 1104635107 /nfs/dbraw/zinc/63/51/07/1104635107.db2.gz QDQIRJZJKYFGFB-UHFFFAOYSA-N 2 1 317.477 3.265 20 0 DGADMP CCCCC[N@H+]1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120080 1104635316 /nfs/dbraw/zinc/63/53/16/1104635316.db2.gz DDZCFFMHIATYRM-LJQANCHMSA-N 2 1 317.477 3.265 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631507 1104635929 /nfs/dbraw/zinc/63/59/29/1104635929.db2.gz QAEGVBKCKLTMIE-XJKSGUPXSA-N 2 1 312.379 3.322 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246630717 1104635954 /nfs/dbraw/zinc/63/59/54/1104635954.db2.gz KWOFSENALKCZGU-HSALFYBXSA-N 2 1 316.489 3.098 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]21 ZINC001246629813 1104636003 /nfs/dbraw/zinc/63/60/03/1104636003.db2.gz KFAHXROYICSQLH-JZXOWHBKSA-N 2 1 311.473 3.050 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246630457 1104636596 /nfs/dbraw/zinc/63/65/96/1104636596.db2.gz OWJREHFFSZLCHS-FZKQIMNGSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246630457 1104636603 /nfs/dbraw/zinc/63/66/03/1104636603.db2.gz OWJREHFFSZLCHS-FZKQIMNGSA-N 2 1 324.390 3.037 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CS2 ZINC001246629774 1104637349 /nfs/dbraw/zinc/63/73/49/1104637349.db2.gz GLLNIVLPBGADJE-SJLPKXTDSA-N 2 1 302.487 3.312 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246632640 1104638630 /nfs/dbraw/zinc/63/86/30/1104638630.db2.gz YPZSIQUKDVUPKN-UAFMIMERSA-N 2 1 314.473 3.023 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634504 1104639116 /nfs/dbraw/zinc/63/91/16/1104639116.db2.gz OBEUBTWGUVJEPG-AEFFLSMTSA-N 2 1 310.482 3.107 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246633558 1104639138 /nfs/dbraw/zinc/63/91/38/1104639138.db2.gz LHTMMXYZFJFKKV-MOPGFXCFSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246636730 1104640190 /nfs/dbraw/zinc/64/01/90/1104640190.db2.gz WRSKFKGSVFFBAR-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646305 1104643216 /nfs/dbraw/zinc/64/32/16/1104643216.db2.gz YIQFPNFDUVKIMM-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646305 1104643220 /nfs/dbraw/zinc/64/32/20/1104643220.db2.gz YIQFPNFDUVKIMM-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650514 1104647198 /nfs/dbraw/zinc/64/71/98/1104647198.db2.gz UEKFDPLMTDCVQR-CZUORRHYSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650514 1104647201 /nfs/dbraw/zinc/64/72/01/1104647201.db2.gz UEKFDPLMTDCVQR-CZUORRHYSA-N 2 1 312.379 3.464 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650404 1104648113 /nfs/dbraw/zinc/64/81/13/1104648113.db2.gz HSYRHAMTNAWJMA-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650404 1104648115 /nfs/dbraw/zinc/64/81/15/1104648115.db2.gz HSYRHAMTNAWJMA-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C2 ZINC001246653633 1104649165 /nfs/dbraw/zinc/64/91/65/1104649165.db2.gz IPLPBUYVHQJURE-QFBILLFUSA-N 2 1 302.437 3.147 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246652487 1104649175 /nfs/dbraw/zinc/64/91/75/1104649175.db2.gz PWLBWXBJLURCMX-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246652487 1104649181 /nfs/dbraw/zinc/64/91/81/1104649181.db2.gz PWLBWXBJLURCMX-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C2 ZINC001246653631 1104649464 /nfs/dbraw/zinc/64/94/64/1104649464.db2.gz IPLPBUYVHQJURE-LPHOPBHVSA-N 2 1 302.437 3.147 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C2 ZINC001246653635 1104649649 /nfs/dbraw/zinc/64/96/49/1104649649.db2.gz IPLPBUYVHQJURE-VQIMIIECSA-N 2 1 302.437 3.147 20 0 DGADMP C1CCC2(CC1)C[C@@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CC[NH2+]2 ZINC001246661081 1104652393 /nfs/dbraw/zinc/65/23/93/1104652393.db2.gz TXAFYRRPMXYCQP-RBUKOAKNSA-N 3 1 319.537 3.295 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC001246661653 1104652793 /nfs/dbraw/zinc/65/27/93/1104652793.db2.gz HHYIKQAACKPHEB-OMZYAQQMSA-N 2 1 310.485 3.497 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1C[C@H]3C[NH2+]CC[C@@H]31)CC2 ZINC001246672645 1104655933 /nfs/dbraw/zinc/65/59/33/1104655933.db2.gz KFKVMFNXOHIGAY-IOASZLSFSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1C[C@H]3C[NH2+]CC[C@@H]31)CC2 ZINC001246672645 1104655936 /nfs/dbraw/zinc/65/59/36/1104655936.db2.gz KFKVMFNXOHIGAY-IOASZLSFSA-N 2 1 311.256 3.144 20 0 DGADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246669978 1104655952 /nfs/dbraw/zinc/65/59/52/1104655952.db2.gz AWCCKGUEMMGULJ-MISYRCLQSA-N 2 1 316.489 3.269 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676102 1104657352 /nfs/dbraw/zinc/65/73/52/1104657352.db2.gz CBYQJDGHIWWYQX-TZMCWYRMSA-N 2 1 312.379 3.178 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679824 1104660488 /nfs/dbraw/zinc/66/04/88/1104660488.db2.gz ZDKUAZPBSLBEMI-BPQIPLTHSA-N 2 1 304.453 3.468 20 0 DGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246680879 1104660619 /nfs/dbraw/zinc/66/06/19/1104660619.db2.gz MNCRGOTVSOBLOF-SYYJFZTOSA-N 2 1 314.473 3.433 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001246691644 1104661637 /nfs/dbraw/zinc/66/16/37/1104661637.db2.gz LWOPKNUKDIGPBO-SNRMKQJTSA-N 2 1 320.452 3.040 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246687943 1104661847 /nfs/dbraw/zinc/66/18/47/1104661847.db2.gz YKYFQYJYTASQNE-SXLOBPIMSA-N 2 1 316.489 3.055 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC1 ZINC001246687151 1104662352 /nfs/dbraw/zinc/66/23/52/1104662352.db2.gz VKCFMUKXFPVICG-NFKMYMFOSA-N 2 1 320.521 3.434 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001246694746 1104663210 /nfs/dbraw/zinc/66/32/10/1104663210.db2.gz SOTZIROHRKSNBJ-QGTPRVQTSA-N 2 1 322.855 3.221 20 0 DGADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275172852 1104665245 /nfs/dbraw/zinc/66/52/45/1104665245.db2.gz XFUKHZZZAXMKND-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCOC1)[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275172852 1104665249 /nfs/dbraw/zinc/66/52/49/1104665249.db2.gz XFUKHZZZAXMKND-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCOC1)[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275172852 1104665251 /nfs/dbraw/zinc/66/52/51/1104665251.db2.gz XFUKHZZZAXMKND-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP COc1ccccc1C[N@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246768526 1104667087 /nfs/dbraw/zinc/66/70/87/1104667087.db2.gz FKVQFZVOZHADIZ-UXHICEINSA-N 2 1 324.468 3.490 20 0 DGADMP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246768526 1104667091 /nfs/dbraw/zinc/66/70/91/1104667091.db2.gz FKVQFZVOZHADIZ-UXHICEINSA-N 2 1 324.468 3.490 20 0 DGADMP Cc1ccc([C@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001246780186 1104670041 /nfs/dbraw/zinc/67/00/41/1104670041.db2.gz KNNPNKOCRURTDN-IOJLRTSASA-N 2 1 314.473 3.433 20 0 DGADMP c1c[nH]c(C[N@@H+]2CCCC3(CC[NH+](CC4CCC4)CC3)C2)c1 ZINC001275182491 1104670527 /nfs/dbraw/zinc/67/05/27/1104670527.db2.gz XQDMIWVYOURHHG-UHFFFAOYSA-N 2 1 301.478 3.493 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001246780182 1104670875 /nfs/dbraw/zinc/67/08/75/1104670875.db2.gz KNNPNKOCRURTDN-GPJFCIFZSA-N 2 1 314.473 3.433 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246783525 1104672126 /nfs/dbraw/zinc/67/21/26/1104672126.db2.gz ZYEZVFOMJQNGKW-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246785650 1104674037 /nfs/dbraw/zinc/67/40/37/1104674037.db2.gz LNAJAFPQGIIFEB-AEFFLSMTSA-N 2 1 302.462 3.369 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246785599 1104674095 /nfs/dbraw/zinc/67/40/95/1104674095.db2.gz KROQFMLSGKVMCH-MISYRCLQSA-N 2 1 314.473 3.452 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246786974 1104674902 /nfs/dbraw/zinc/67/49/02/1104674902.db2.gz OQVWVIUDZDFNER-AEFFLSMTSA-N 2 1 300.446 3.205 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@H](C[NH3+])C3)ccc2c1 ZINC001246798441 1104681033 /nfs/dbraw/zinc/68/10/33/1104681033.db2.gz SOKPLAYBWXLYCD-DOTOQJQBSA-N 2 1 312.457 3.450 20 0 DGADMP CC[C@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC001246805027 1104682139 /nfs/dbraw/zinc/68/21/39/1104682139.db2.gz RQQOJLWOEQWIDQ-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP CCc1[nH]c(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)c(C)[nH+]1 ZINC001275230765 1104684326 /nfs/dbraw/zinc/68/43/26/1104684326.db2.gz IWYJEBBLOUUCCH-UHFFFAOYSA-N 2 1 316.493 3.121 20 0 DGADMP Cn1cccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275233468 1104685240 /nfs/dbraw/zinc/68/52/40/1104685240.db2.gz BWANBJKQQUUTAO-CALCHBBNSA-N 2 1 301.478 3.112 20 0 DGADMP Cn1cccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275233468 1104685255 /nfs/dbraw/zinc/68/52/55/1104685255.db2.gz BWANBJKQQUUTAO-CALCHBBNSA-N 2 1 301.478 3.112 20 0 DGADMP Cn1cccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275233468 1104685263 /nfs/dbraw/zinc/68/52/63/1104685263.db2.gz BWANBJKQQUUTAO-CALCHBBNSA-N 2 1 301.478 3.112 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001246810930 1104685741 /nfs/dbraw/zinc/68/57/41/1104685741.db2.gz NHKMHTZCKGSRMN-DAWZGUTISA-N 2 1 321.896 3.159 20 0 DGADMP O=c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC001275243839 1104688072 /nfs/dbraw/zinc/68/80/72/1104688072.db2.gz UAQRRESPKLJNIE-YQQQUEKLSA-N 2 1 323.440 3.072 20 0 DGADMP O=c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC001275243839 1104688077 /nfs/dbraw/zinc/68/80/77/1104688077.db2.gz UAQRRESPKLJNIE-YQQQUEKLSA-N 2 1 323.440 3.072 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246815606 1104688466 /nfs/dbraw/zinc/68/84/66/1104688466.db2.gz ZDNRTKMMMZQKJY-PIIMJCKOSA-N 2 1 304.478 3.479 20 0 DGADMP Brc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821219 1104691807 /nfs/dbraw/zinc/69/18/07/1104691807.db2.gz IYDZESRIOPBPCY-GDBMZVCRSA-N 2 1 323.278 3.381 20 0 DGADMP Brc1ccc([C@@H]2CC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821219 1104691808 /nfs/dbraw/zinc/69/18/08/1104691808.db2.gz IYDZESRIOPBPCY-GDBMZVCRSA-N 2 1 323.278 3.381 20 0 DGADMP COCCC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246835271 1104698347 /nfs/dbraw/zinc/69/83/47/1104698347.db2.gz IIYDZQYTPBZWBE-HNNXBMFYSA-N 2 1 324.896 3.362 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)C[C@@H]1CCC[NH2+]C1)CC2 ZINC001246839020 1104699023 /nfs/dbraw/zinc/69/90/23/1104699023.db2.gz AFDPBOQWDXNEJC-KGLIPLIRSA-N 2 1 322.880 3.137 20 0 DGADMP COCC[N@@H+]([C@@H](Cc1ccccc1)CC(C)C)C1CC[NH2+]CC1 ZINC001246838615 1104699233 /nfs/dbraw/zinc/69/92/33/1104699233.db2.gz YXMLDMSOHRQWRH-HXUWFJFHSA-N 2 1 318.505 3.344 20 0 DGADMP COCCC[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246837861 1104699320 /nfs/dbraw/zinc/69/93/20/1104699320.db2.gz WDBXATWSGALRQP-QUCCMNQESA-N 2 1 316.489 3.413 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838966 1104699685 /nfs/dbraw/zinc/69/96/85/1104699685.db2.gz KVQIICRTGCNOOZ-SJORKVTESA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838966 1104699689 /nfs/dbraw/zinc/69/96/89/1104699689.db2.gz KVQIICRTGCNOOZ-SJORKVTESA-N 2 1 320.477 3.446 20 0 DGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841980 1104702460 /nfs/dbraw/zinc/70/24/60/1104702460.db2.gz SEWXNFZKSRGYQK-YJBOKZPZSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841980 1104702465 /nfs/dbraw/zinc/70/24/65/1104702465.db2.gz SEWXNFZKSRGYQK-YJBOKZPZSA-N 2 1 320.477 3.302 20 0 DGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246848003 1104707113 /nfs/dbraw/zinc/70/71/13/1104707113.db2.gz URCDOUCWLWOJHJ-OWCLPIDISA-N 2 1 312.523 3.097 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246848911 1104707511 /nfs/dbraw/zinc/70/75/11/1104707511.db2.gz CVUSRWAHESXTIX-LHHMISFZSA-N 2 1 320.864 3.466 20 0 DGADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246855662 1104709111 /nfs/dbraw/zinc/70/91/11/1104709111.db2.gz AQXXGHDVNUQXHR-IRXDYDNUSA-N 2 1 322.493 3.107 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001246865716 1104713247 /nfs/dbraw/zinc/71/32/47/1104713247.db2.gz WRCTYIFDGSFZHP-TZMCWYRMSA-N 2 1 300.368 3.178 20 0 DGADMP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246867725 1104713966 /nfs/dbraw/zinc/71/39/66/1104713966.db2.gz KGNOXEKLHXSSFJ-IRXDYDNUSA-N 2 1 322.493 3.092 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCc2ccc(Cl)cc21 ZINC001246872611 1104715746 /nfs/dbraw/zinc/71/57/46/1104715746.db2.gz WQNHPDANYOPUNP-FAYQHZLMSA-N 2 1 304.865 3.300 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H](CC)[NH2+]1 ZINC001246875715 1104716422 /nfs/dbraw/zinc/71/64/22/1104716422.db2.gz NYDVKIBPADGFMN-BCDXTJNWSA-N 2 1 318.461 3.214 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H](CC)[NH2+]1 ZINC001246875715 1104716425 /nfs/dbraw/zinc/71/64/25/1104716425.db2.gz NYDVKIBPADGFMN-BCDXTJNWSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCc2ccc(Cl)cc21 ZINC001246872612 1104716776 /nfs/dbraw/zinc/71/67/76/1104716776.db2.gz WQNHPDANYOPUNP-MKVSYHDVSA-N 2 1 304.865 3.300 20 0 DGADMP CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246879688 1104718766 /nfs/dbraw/zinc/71/87/66/1104718766.db2.gz CEGPTMAHZRLGRU-IXDOHACOSA-N 2 1 317.477 3.175 20 0 DGADMP CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246879688 1104718772 /nfs/dbraw/zinc/71/87/72/1104718772.db2.gz CEGPTMAHZRLGRU-IXDOHACOSA-N 2 1 317.477 3.175 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246881262 1104720233 /nfs/dbraw/zinc/72/02/33/1104720233.db2.gz LWQGDXIPZIOBCM-YVSFHVDLSA-N 2 1 324.509 3.492 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246884415 1104721856 /nfs/dbraw/zinc/72/18/56/1104721856.db2.gz AYXOTMLUBMKOGD-PPDQVPDSSA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246891963 1104725823 /nfs/dbraw/zinc/72/58/23/1104725823.db2.gz ZGUQJOPWBNFNCS-WMZOPIPTSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1cc(F)ccc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246895142 1104727291 /nfs/dbraw/zinc/72/72/91/1104727291.db2.gz PQSDOCJDODXNKR-MSOLQXFVSA-N 2 1 319.468 3.033 20 0 DGADMP c1cc2c(cccc2N2CC[NH+]([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC001246897461 1104727661 /nfs/dbraw/zinc/72/76/61/1104727661.db2.gz KNGZEAFWNUUTGR-OAHLLOKOSA-N 2 1 315.486 3.165 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246907378 1104732454 /nfs/dbraw/zinc/73/24/54/1104732454.db2.gz QXEOYCABIZHPSN-XSLAGTTESA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@@H]1C[C@H](N(C)CC[N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246919158 1104736512 /nfs/dbraw/zinc/73/65/12/1104736512.db2.gz JELYYVQFLGQNSC-PMOLBWCYSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246917884 1104737687 /nfs/dbraw/zinc/73/76/87/1104737687.db2.gz YFUVCQVYRFJXTL-GUDVDZBRSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927351 1104739640 /nfs/dbraw/zinc/73/96/40/1104739640.db2.gz ZEPQHZSYDQNCKW-MJGOQNOKSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927351 1104739644 /nfs/dbraw/zinc/73/96/44/1104739644.db2.gz ZEPQHZSYDQNCKW-MJGOQNOKSA-N 2 1 304.478 3.182 20 0 DGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC001246932744 1104741974 /nfs/dbraw/zinc/74/19/74/1104741974.db2.gz HGUCCFMZEJGYBO-VBNZEHGJSA-N 2 1 314.395 3.392 20 0 DGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC001246932744 1104741982 /nfs/dbraw/zinc/74/19/82/1104741982.db2.gz HGUCCFMZEJGYBO-VBNZEHGJSA-N 2 1 314.395 3.392 20 0 DGADMP COc1ncc(Cl)cc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275379187 1104742503 /nfs/dbraw/zinc/74/25/03/1104742503.db2.gz FTVRFQZXUYYBOM-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1ncc(Cl)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275379187 1104742509 /nfs/dbraw/zinc/74/25/09/1104742509.db2.gz FTVRFQZXUYYBOM-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934644 1104743196 /nfs/dbraw/zinc/74/31/96/1104743196.db2.gz ORUHIOPSHTVXIG-ROUUACIJSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934644 1104743201 /nfs/dbraw/zinc/74/32/01/1104743201.db2.gz ORUHIOPSHTVXIG-ROUUACIJSA-N 2 1 309.542 3.351 20 0 DGADMP Fc1cccc(C[N@@H+](C2CC[NH2+]CC2)C2CCSCC2)c1 ZINC001246933702 1104743247 /nfs/dbraw/zinc/74/32/47/1104743247.db2.gz BAJLWEGERZIHHX-UHFFFAOYSA-N 2 1 308.466 3.275 20 0 DGADMP Nc1cccc2c1CC[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246933421 1104743591 /nfs/dbraw/zinc/74/35/91/1104743591.db2.gz IONDWVLNQLMKID-XLIONFOSSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246933421 1104743595 /nfs/dbraw/zinc/74/35/95/1104743595.db2.gz IONDWVLNQLMKID-XLIONFOSSA-N 2 1 307.441 3.120 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246940597 1104746027 /nfs/dbraw/zinc/74/60/27/1104746027.db2.gz IVTRLQRQFUXSDG-MELADBBJSA-N 2 1 310.844 3.342 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943058 1104746110 /nfs/dbraw/zinc/74/61/10/1104746110.db2.gz OXTYBDFTHJQLFB-RBUKOAKNSA-N 2 1 320.452 3.337 20 0 DGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246944111 1104746820 /nfs/dbraw/zinc/74/68/20/1104746820.db2.gz UCLQLXZNPKXDMS-KBPBESRZSA-N 2 1 322.880 3.137 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246948101 1104748883 /nfs/dbraw/zinc/74/88/83/1104748883.db2.gz HXKRDHPNAVRJGK-GOSISDBHSA-N 2 1 313.489 3.100 20 0 DGADMP CCC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246956690 1104753132 /nfs/dbraw/zinc/75/31/32/1104753132.db2.gz GZAWFAXVSANKGF-OAHLLOKOSA-N 2 1 318.461 3.216 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246966086 1104753474 /nfs/dbraw/zinc/75/34/74/1104753474.db2.gz TTYUQQQKUOZCED-LWYYNNOASA-N 3 1 319.537 3.281 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246966597 1104753507 /nfs/dbraw/zinc/75/35/07/1104753507.db2.gz KQYYATYZESCREQ-RLLQIKCJSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@H](Oc3ccncc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246967223 1104754794 /nfs/dbraw/zinc/75/47/94/1104754794.db2.gz MMKFQAPAOKZXGV-MDZRGWNJSA-N 2 1 317.477 3.234 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970941 1104754918 /nfs/dbraw/zinc/75/49/18/1104754918.db2.gz CVIRYWUMXWTKLX-UGSOOPFHSA-N 2 1 304.865 3.271 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970696 1104755124 /nfs/dbraw/zinc/75/51/24/1104755124.db2.gz BWROHAWFTHOWSF-BBRMVZONSA-N 2 1 304.865 3.271 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970940 1104755239 /nfs/dbraw/zinc/75/52/39/1104755239.db2.gz CVIRYWUMXWTKLX-SCLBCKFNSA-N 2 1 304.865 3.271 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CCc1ccc(OC)cc1 ZINC001246971321 1104755273 /nfs/dbraw/zinc/75/52/73/1104755273.db2.gz AHRIOZAHMNGREQ-WMZOPIPTSA-N 2 1 304.478 3.338 20 0 DGADMP Clc1cccc2c1C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970698 1104755482 /nfs/dbraw/zinc/75/54/82/1104755482.db2.gz BWROHAWFTHOWSF-CZUORRHYSA-N 2 1 304.865 3.271 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246973158 1104756482 /nfs/dbraw/zinc/75/64/82/1104756482.db2.gz GGXZXYWYOAXCRY-LJQANCHMSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972683 1104757198 /nfs/dbraw/zinc/75/71/98/1104757198.db2.gz LJYATGMBNRYSOP-SUMWQHHRSA-N 2 1 320.427 3.286 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CS2 ZINC001246975007 1104757731 /nfs/dbraw/zinc/75/77/31/1104757731.db2.gz RMSSEWDTONSUNZ-WMLDXEAASA-N 2 1 302.487 3.167 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246977016 1104759511 /nfs/dbraw/zinc/75/95/11/1104759511.db2.gz RGWCCUDZJXVOOT-BBRMVZONSA-N 2 1 308.416 3.144 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246980657 1104761374 /nfs/dbraw/zinc/76/13/74/1104761374.db2.gz RFRUAYJGGSFKCM-WMZOPIPTSA-N 2 1 318.436 3.201 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246984305 1104761965 /nfs/dbraw/zinc/76/19/65/1104761965.db2.gz KYOXQBFZVPVMRX-KWXDATOUSA-N 2 1 315.505 3.110 20 0 DGADMP FC1(F)C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC[C@H]1Cc1ccccc1 ZINC001246989374 1104765126 /nfs/dbraw/zinc/76/51/26/1104765126.db2.gz RCVFYSPUTUNZKK-DLBZAZTESA-N 2 1 320.427 3.328 20 0 DGADMP FC1(F)C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC[C@H]1Cc1ccccc1 ZINC001246989374 1104765130 /nfs/dbraw/zinc/76/51/30/1104765130.db2.gz RCVFYSPUTUNZKK-DLBZAZTESA-N 2 1 320.427 3.328 20 0 DGADMP Cc1ccc2cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc2n1 ZINC001275457038 1104765833 /nfs/dbraw/zinc/76/58/33/1104765833.db2.gz NXMRXXBEPJWGOD-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC001275457038 1104765834 /nfs/dbraw/zinc/76/58/34/1104765834.db2.gz NXMRXXBEPJWGOD-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC001275457038 1104765838 /nfs/dbraw/zinc/76/58/38/1104765838.db2.gz NXMRXXBEPJWGOD-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246995231 1104769075 /nfs/dbraw/zinc/76/90/75/1104769075.db2.gz SGUJPYQFLHWVIT-SJORKVTESA-N 2 1 316.445 3.141 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O2)C[C@H](CC)[NH2+]1 ZINC001246999461 1104770210 /nfs/dbraw/zinc/77/02/10/1104770210.db2.gz JEIULMFUNCMMAB-MLHJIOFPSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@@](C)(C[NH3+])C1)CC2 ZINC001247000340 1104771695 /nfs/dbraw/zinc/77/16/95/1104771695.db2.gz HWXVRRGQMHQXAA-ACJLOTCBSA-N 2 1 322.880 3.267 20 0 DGADMP CC(C)(C)Oc1ccc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001247004272 1104773302 /nfs/dbraw/zinc/77/33/02/1104773302.db2.gz ZYOWEBVKLRDXBZ-INIZCTEOSA-N 2 1 302.462 3.405 20 0 DGADMP CC1(C)C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247004544 1104773966 /nfs/dbraw/zinc/77/39/66/1104773966.db2.gz DEWNXOXBHDTKJO-ILXRZTDVSA-N 2 1 319.880 3.134 20 0 DGADMP Clc1ccc2c(c1)[C@H]1C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008952 1104775593 /nfs/dbraw/zinc/77/55/93/1104775593.db2.gz ZTZWSRSZHAOHQC-CCGHFKHRSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@H]1C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008952 1104775599 /nfs/dbraw/zinc/77/55/99/1104775599.db2.gz ZTZWSRSZHAOHQC-CCGHFKHRSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247013205 1104777058 /nfs/dbraw/zinc/77/70/58/1104777058.db2.gz GEENHDQQUWKPIA-BPQIPLTHSA-N 2 1 304.865 3.271 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247013206 1104777217 /nfs/dbraw/zinc/77/72/17/1104777217.db2.gz GEENHDQQUWKPIA-NJAFHUGGSA-N 2 1 304.865 3.271 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013661 1104778358 /nfs/dbraw/zinc/77/83/58/1104778358.db2.gz HPTKEODLZVXSII-CPUCHLNUSA-N 2 1 308.466 3.380 20 0 DGADMP CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001275609618 1104832022 /nfs/dbraw/zinc/83/20/22/1104832022.db2.gz YFJRKLDFGHPCCO-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001275638919 1104844761 /nfs/dbraw/zinc/84/47/61/1104844761.db2.gz KPYGSGVWWQGUII-ABHNRTSZSA-N 2 1 323.525 3.020 20 0 DGADMP c1nc2cccc(C[NH+]3CCC4(C[NH+](C5CCCC5)C4)CC3)c2[nH]1 ZINC001275778474 1104904167 /nfs/dbraw/zinc/90/41/67/1104904167.db2.gz MKTAQVRWMXEPSA-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP COc1cc(C)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275803226 1104914697 /nfs/dbraw/zinc/91/46/97/1104914697.db2.gz XEXYOAYLXJKGHX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275803226 1104914701 /nfs/dbraw/zinc/91/47/01/1104914701.db2.gz XEXYOAYLXJKGHX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275803226 1104914704 /nfs/dbraw/zinc/91/47/04/1104914704.db2.gz XEXYOAYLXJKGHX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275803226 1104914710 /nfs/dbraw/zinc/91/47/10/1104914710.db2.gz XEXYOAYLXJKGHX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC001247507473 1104915345 /nfs/dbraw/zinc/91/53/45/1104915345.db2.gz KRFDTQSIPKNITE-INIZCTEOSA-N 2 1 324.384 3.268 20 0 DGADMP Cc1ccc(-c2ccccc2)c(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247510263 1104916044 /nfs/dbraw/zinc/91/60/44/1104916044.db2.gz ZBEINOFTZHLNSV-QGZVFWFLSA-N 2 1 322.412 3.451 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275822590 1104922192 /nfs/dbraw/zinc/92/21/92/1104922192.db2.gz JWPIKZIYHYDPTR-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275822590 1104922193 /nfs/dbraw/zinc/92/21/93/1104922193.db2.gz JWPIKZIYHYDPTR-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275822590 1104922197 /nfs/dbraw/zinc/92/21/97/1104922197.db2.gz JWPIKZIYHYDPTR-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)cc3OC)(C1)CCC2 ZINC001275836622 1104926938 /nfs/dbraw/zinc/92/69/38/1104926938.db2.gz ZZBKUHZBGQAMCZ-DLBZAZTESA-N 2 1 310.388 3.128 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001275913131 1104953431 /nfs/dbraw/zinc/95/34/31/1104953431.db2.gz IRKGNKWVRCDTGL-BGYRXZFFSA-N 2 1 315.505 3.020 20 0 DGADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC001276032849 1104992858 /nfs/dbraw/zinc/99/28/58/1104992858.db2.gz PSOZWSJVDDABGK-HOCLYGCPSA-N 2 1 319.518 3.395 20 0 DGADMP CC(C)Oc1ccc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276050357 1105005871 /nfs/dbraw/zinc/00/58/71/1105005871.db2.gz VUSJOOKWLCAACH-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276072007 1105008663 /nfs/dbraw/zinc/00/86/63/1105008663.db2.gz MHIURDOGOADVPE-UHFFFAOYSA-N 2 1 312.461 3.139 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC001276091849 1105014796 /nfs/dbraw/zinc/01/47/96/1105014796.db2.gz CWIURGIUMQBVGT-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP c1ncc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)o1 ZINC001276161333 1105033847 /nfs/dbraw/zinc/03/38/47/1105033847.db2.gz IYQLMBTYWKWRJL-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)C1 ZINC001276173319 1105036775 /nfs/dbraw/zinc/03/67/75/1105036775.db2.gz BEQLLTJZSWEHML-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)C1 ZINC001276173319 1105036781 /nfs/dbraw/zinc/03/67/81/1105036781.db2.gz BEQLLTJZSWEHML-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001206573186 1105427571 /nfs/dbraw/zinc/42/75/71/1105427571.db2.gz JISINPFXVAFZPN-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1SC ZINC001206582945 1105523806 /nfs/dbraw/zinc/52/38/06/1105523806.db2.gz QTGXFTMXXGCFQK-QGZVFWFLSA-N 2 1 308.491 3.368 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)nc1 ZINC001255944203 1105689994 /nfs/dbraw/zinc/68/99/94/1105689994.db2.gz SXALETDNGZNPGQ-LBPRGKRZSA-N 2 1 303.372 3.310 20 0 DGADMP CC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001251769474 1105693770 /nfs/dbraw/zinc/69/37/70/1105693770.db2.gz TVTNHUYOCVFXCS-MVJTYMMSSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001251769474 1105693772 /nfs/dbraw/zinc/69/37/72/1105693772.db2.gz TVTNHUYOCVFXCS-MVJTYMMSSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001251769474 1105693774 /nfs/dbraw/zinc/69/37/74/1105693774.db2.gz TVTNHUYOCVFXCS-MVJTYMMSSA-N 2 1 322.518 3.051 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001252087365 1105736366 /nfs/dbraw/zinc/73/63/66/1105736366.db2.gz AYLJESKLACBNGH-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001252087365 1105736370 /nfs/dbraw/zinc/73/63/70/1105736370.db2.gz AYLJESKLACBNGH-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@](O)(C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001253101591 1105887878 /nfs/dbraw/zinc/88/78/78/1105887878.db2.gz UTZKLTIWPFDIJP-WOJBJXKFSA-N 2 1 316.489 3.235 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccccc1 ZINC001253115154 1105893537 /nfs/dbraw/zinc/89/35/37/1105893537.db2.gz HXPSVACESDQKMZ-PMACEKPBSA-N 2 1 312.457 3.177 20 0 DGADMP CC[NH+](CC)C[C@@H](O)CNc1ccc([NH+]2CCCCC2)cc1C ZINC001253199449 1105902065 /nfs/dbraw/zinc/90/20/65/1105902065.db2.gz VDHBACVAIPTONU-SFHVURJKSA-N 2 1 319.493 3.100 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001253204068 1105902797 /nfs/dbraw/zinc/90/27/97/1105902797.db2.gz PKZRDUDQOBABJD-DNVCBOLYSA-N 2 1 300.446 3.193 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC001253209576 1105903588 /nfs/dbraw/zinc/90/35/88/1105903588.db2.gz GKZGJNMXKXCVNO-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001253207981 1105903770 /nfs/dbraw/zinc/90/37/70/1105903770.db2.gz MFSFKCNHUOBEGI-IAGOWNOFSA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001253398737 1105934863 /nfs/dbraw/zinc/93/48/63/1105934863.db2.gz ZLCBADALTAVSAZ-RBUKOAKNSA-N 2 1 318.505 3.080 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001253398741 1105934906 /nfs/dbraw/zinc/93/49/06/1105934906.db2.gz ZLCBADALTAVSAZ-RTBURBONSA-N 2 1 318.505 3.080 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001253549016 1105956921 /nfs/dbraw/zinc/95/69/21/1105956921.db2.gz KLFCEPJNEOHNEX-WOJBJXKFSA-N 2 1 318.505 3.429 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001253553516 1105957996 /nfs/dbraw/zinc/95/79/96/1105957996.db2.gz HBYCGDQVKRPEPO-FQEVSTJZSA-N 2 1 318.505 3.224 20 0 DGADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)[C@H]2CCCOC2)CC1 ZINC001254368663 1106061018 /nfs/dbraw/zinc/06/10/18/1106061018.db2.gz TWWDVCBYXMMHMK-RNUBBMKBSA-N 2 1 314.473 3.293 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOC1 ZINC001254372956 1106062041 /nfs/dbraw/zinc/06/20/41/1106062041.db2.gz RNIMFOKVDVTVFM-FHWLQOOXSA-N 2 1 302.462 3.246 20 0 DGADMP C1=C2CCC[NH+]([C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001254385297 1106064730 /nfs/dbraw/zinc/06/47/30/1106064730.db2.gz BWKYUQXDYQNLNU-PXTPFGJHSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[NH+]([C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001254385297 1106064735 /nfs/dbraw/zinc/06/47/35/1106064735.db2.gz BWKYUQXDYQNLNU-PXTPFGJHSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[N@H+]([C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001254385297 1106064740 /nfs/dbraw/zinc/06/47/40/1106064740.db2.gz BWKYUQXDYQNLNU-PXTPFGJHSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[N@@H+]([C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001254385297 1106064743 /nfs/dbraw/zinc/06/47/43/1106064743.db2.gz BWKYUQXDYQNLNU-PXTPFGJHSA-N 2 1 316.489 3.060 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+]([C@@H]2CCCOC2)C3)cc1 ZINC001254389178 1106064914 /nfs/dbraw/zinc/06/49/14/1106064914.db2.gz OHTINIWCJWXKRZ-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+]([C@@H]2CCCOC2)C3)cc1 ZINC001254389178 1106064920 /nfs/dbraw/zinc/06/49/20/1106064920.db2.gz OHTINIWCJWXKRZ-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+]([C@@H]2CCCOC2)C3)cc1 ZINC001254389178 1106064926 /nfs/dbraw/zinc/06/49/26/1106064926.db2.gz OHTINIWCJWXKRZ-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254506971 1106084629 /nfs/dbraw/zinc/08/46/29/1106084629.db2.gz DSCDBBWNKJPHJK-OAHLLOKOSA-N 2 1 311.267 3.331 20 0 DGADMP C[N@H+]1CCC[C@@H](n2c3cc(Cl)ccc3nc2CCC[NH3+])CC1 ZINC001254506743 1106085599 /nfs/dbraw/zinc/08/55/99/1106085599.db2.gz YYWDDQPNDUHZIU-CQSZACIVSA-N 2 1 320.868 3.238 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254511831 1106086850 /nfs/dbraw/zinc/08/68/50/1106086850.db2.gz FXCQJLSXXDBIOF-QGZVFWFLSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc(CC2([NH2+][C@@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254511783 1106087413 /nfs/dbraw/zinc/08/74/13/1106087413.db2.gz FLNIPFDURVLASK-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@H+]1CCC[C@H](NC(=[NH2+])Cc2cccc(C(F)(F)F)c2)CC1 ZINC001254509358 1106087602 /nfs/dbraw/zinc/08/76/02/1106087602.db2.gz MJMAGKQHTKFLMC-AWEZNQCLSA-N 2 1 313.367 3.299 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccsc2Br)CC1 ZINC001254514398 1106088498 /nfs/dbraw/zinc/08/84/98/1106088498.db2.gz KYBXQVAEXKUEGA-LBPRGKRZSA-N 2 1 317.296 3.127 20 0 DGADMP Cc1ccccc1OC1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254515962 1106088849 /nfs/dbraw/zinc/08/88/49/1106088849.db2.gz HRHLLFGZAVLOKA-KRWDZBQOSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001254522087 1106090695 /nfs/dbraw/zinc/09/06/95/1106090695.db2.gz BPCNRAXNZOBHIE-INIZCTEOSA-N 2 1 306.425 3.153 20 0 DGADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531894 1106096254 /nfs/dbraw/zinc/09/62/54/1106096254.db2.gz MRAQUULSHHCQBP-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531894 1106096260 /nfs/dbraw/zinc/09/62/60/1106096260.db2.gz MRAQUULSHHCQBP-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531894 1106096265 /nfs/dbraw/zinc/09/62/65/1106096265.db2.gz MRAQUULSHHCQBP-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254531805 1106096680 /nfs/dbraw/zinc/09/66/80/1106096680.db2.gz MISSUHCTHBQIEM-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254531805 1106096684 /nfs/dbraw/zinc/09/66/84/1106096684.db2.gz MISSUHCTHBQIEM-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254531805 1106096689 /nfs/dbraw/zinc/09/66/89/1106096689.db2.gz MISSUHCTHBQIEM-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254533619 1106096847 /nfs/dbraw/zinc/09/68/47/1106096847.db2.gz NTIBSYYPESECCZ-ROUUACIJSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254533619 1106096852 /nfs/dbraw/zinc/09/68/52/1106096852.db2.gz NTIBSYYPESECCZ-ROUUACIJSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254533619 1106096858 /nfs/dbraw/zinc/09/68/58/1106096858.db2.gz NTIBSYYPESECCZ-ROUUACIJSA-N 2 1 316.445 3.094 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC2CCN(CC2)C1 ZINC001254846537 1106148008 /nfs/dbraw/zinc/14/80/08/1106148008.db2.gz WETIAKOQMKFHCB-BZSNNMDCSA-N 2 1 307.526 3.089 20 0 DGADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254843858 1106148015 /nfs/dbraw/zinc/14/80/15/1106148015.db2.gz HPTBWJJMVHWZRV-HXUWFJFHSA-N 2 1 319.537 3.105 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254942937 1106157922 /nfs/dbraw/zinc/15/79/22/1106157922.db2.gz ZDZJUWTYOJHQOA-JKQORVJESA-N 2 1 304.478 3.259 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254956945 1106159518 /nfs/dbraw/zinc/15/95/18/1106159518.db2.gz QGRDPSGYRAUAAB-QAETUUGQSA-N 2 1 304.478 3.083 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254956945 1106159523 /nfs/dbraw/zinc/15/95/23/1106159523.db2.gz QGRDPSGYRAUAAB-QAETUUGQSA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254956945 1106159526 /nfs/dbraw/zinc/15/95/26/1106159526.db2.gz QGRDPSGYRAUAAB-QAETUUGQSA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254956945 1106159529 /nfs/dbraw/zinc/15/95/29/1106159529.db2.gz QGRDPSGYRAUAAB-QAETUUGQSA-N 2 1 304.478 3.083 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956942 1106159866 /nfs/dbraw/zinc/15/98/66/1106159866.db2.gz QGRDPSGYRAUAAB-FLXSYLCISA-N 2 1 304.478 3.083 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956942 1106159870 /nfs/dbraw/zinc/15/98/70/1106159870.db2.gz QGRDPSGYRAUAAB-FLXSYLCISA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956942 1106159874 /nfs/dbraw/zinc/15/98/74/1106159874.db2.gz QGRDPSGYRAUAAB-FLXSYLCISA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956942 1106159877 /nfs/dbraw/zinc/15/98/77/1106159877.db2.gz QGRDPSGYRAUAAB-FLXSYLCISA-N 2 1 304.478 3.083 20 0 DGADMP Cc1ccc(C[N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255037138 1106171508 /nfs/dbraw/zinc/17/15/08/1106171508.db2.gz TVTDANJPSJKEGP-IYARVYRRSA-N 2 1 302.462 3.246 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001255046055 1106172241 /nfs/dbraw/zinc/17/22/41/1106172241.db2.gz PIPYLLOIZREJAT-RTBURBONSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001255046055 1106172243 /nfs/dbraw/zinc/17/22/43/1106172243.db2.gz PIPYLLOIZREJAT-RTBURBONSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001255046055 1106172245 /nfs/dbraw/zinc/17/22/45/1106172245.db2.gz PIPYLLOIZREJAT-RTBURBONSA-N 2 1 314.473 3.009 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCSCC2)CC1 ZINC001255088220 1106175740 /nfs/dbraw/zinc/17/57/40/1106175740.db2.gz XLTKPZPRSVKGDA-WKILWMFISA-N 2 1 305.491 3.049 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255093936 1106178047 /nfs/dbraw/zinc/17/80/47/1106178047.db2.gz BGCRPXUPTRPGGX-ROUUACIJSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255093936 1106178050 /nfs/dbraw/zinc/17/80/50/1106178050.db2.gz BGCRPXUPTRPGGX-ROUUACIJSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255093936 1106178052 /nfs/dbraw/zinc/17/80/52/1106178052.db2.gz BGCRPXUPTRPGGX-ROUUACIJSA-N 2 1 316.514 3.336 20 0 DGADMP CCN(CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255119558 1106184315 /nfs/dbraw/zinc/18/43/15/1106184315.db2.gz VQCYJUNXWYUTTH-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP O[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255125126 1106185101 /nfs/dbraw/zinc/18/51/01/1106185101.db2.gz BFYHRLFLDDCUGZ-GFXZNLHSSA-N 2 1 314.473 3.075 20 0 DGADMP Cc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124877 1106185384 /nfs/dbraw/zinc/18/53/84/1106185384.db2.gz OPOQQRQWOXDGCG-REPLKXPHSA-N 2 1 310.445 3.018 20 0 DGADMP [NH3+]CCc1cccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129537 1106186197 /nfs/dbraw/zinc/18/61/97/1106186197.db2.gz GPMRFYXSBBEPME-PMOLBWCYSA-N 2 1 309.457 3.357 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255129713 1106186515 /nfs/dbraw/zinc/18/65/15/1106186515.db2.gz JLHPMQAVQUBJFA-MKXGPGLRSA-N 2 1 312.457 3.283 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255129713 1106186516 /nfs/dbraw/zinc/18/65/16/1106186516.db2.gz JLHPMQAVQUBJFA-MKXGPGLRSA-N 2 1 312.457 3.283 20 0 DGADMP C[C@@H]1COCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137397 1106188195 /nfs/dbraw/zinc/18/81/95/1106188195.db2.gz QNXVUOYFQYXQBK-IJXRJRJASA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137397 1106188201 /nfs/dbraw/zinc/18/82/01/1106188201.db2.gz QNXVUOYFQYXQBK-IJXRJRJASA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137397 1106188202 /nfs/dbraw/zinc/18/82/02/1106188202.db2.gz QNXVUOYFQYXQBK-IJXRJRJASA-N 2 1 314.473 3.150 20 0 DGADMP CSCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147471 1106191362 /nfs/dbraw/zinc/19/13/62/1106191362.db2.gz AAWJQRVIYFMVLE-PIIMJCKOSA-N 2 1 304.503 3.477 20 0 DGADMP CSCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255147471 1106191364 /nfs/dbraw/zinc/19/13/64/1106191364.db2.gz AAWJQRVIYFMVLE-PIIMJCKOSA-N 2 1 304.503 3.477 20 0 DGADMP CSCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255147471 1106191367 /nfs/dbraw/zinc/19/13/67/1106191367.db2.gz AAWJQRVIYFMVLE-PIIMJCKOSA-N 2 1 304.503 3.477 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CCSC2)CC1 ZINC001255275104 1106214097 /nfs/dbraw/zinc/21/40/97/1106214097.db2.gz GQZPYBMXJUMWFL-JYJNAYRXSA-N 2 1 308.466 3.403 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCSC1 ZINC001255289822 1106216625 /nfs/dbraw/zinc/21/66/25/1106216625.db2.gz BJJYGSVILLAENM-GOSISDBHSA-N 2 1 304.503 3.336 20 0 DGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255289783 1106216934 /nfs/dbraw/zinc/21/69/34/1106216934.db2.gz QXUAWNWHJNDKGY-GOSISDBHSA-N 2 1 304.503 3.478 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255289783 1106216936 /nfs/dbraw/zinc/21/69/36/1106216936.db2.gz QXUAWNWHJNDKGY-GOSISDBHSA-N 2 1 304.503 3.478 20 0 DGADMP CCCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001255327142 1106223620 /nfs/dbraw/zinc/22/36/20/1106223620.db2.gz WDWREUMBSASPEB-QXAKKESOSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001255327142 1106223623 /nfs/dbraw/zinc/22/36/23/1106223623.db2.gz WDWREUMBSASPEB-QXAKKESOSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)OCC ZINC001255381964 1106236622 /nfs/dbraw/zinc/23/66/22/1106236622.db2.gz AFIVHLJUTMHIOA-GOSISDBHSA-N 2 1 320.477 3.030 20 0 DGADMP CC(C)(CO)CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383731 1106237630 /nfs/dbraw/zinc/23/76/30/1106237630.db2.gz MUSFOYKVGJASRP-LJQANCHMSA-N 2 1 318.505 3.429 20 0 DGADMP CC(C)N(CCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384524 1106237988 /nfs/dbraw/zinc/23/79/88/1106237988.db2.gz YVGMWOYWUWHTJF-IBGZPJMESA-N 2 1 303.494 3.100 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255384524 1106237990 /nfs/dbraw/zinc/23/79/90/1106237990.db2.gz YVGMWOYWUWHTJF-IBGZPJMESA-N 3 1 303.494 3.100 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255384524 1106237991 /nfs/dbraw/zinc/23/79/91/1106237991.db2.gz YVGMWOYWUWHTJF-IBGZPJMESA-N 3 1 303.494 3.100 20 0 DGADMP CC(C)[NH+](CCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384524 1106237992 /nfs/dbraw/zinc/23/79/92/1106237992.db2.gz YVGMWOYWUWHTJF-IBGZPJMESA-N 3 1 303.494 3.100 20 0 DGADMP CC(C)[NH+](CCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384524 1106237994 /nfs/dbraw/zinc/23/79/94/1106237994.db2.gz YVGMWOYWUWHTJF-IBGZPJMESA-N 3 1 303.494 3.100 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255384252 1106238606 /nfs/dbraw/zinc/23/86/06/1106238606.db2.gz WNXPZIMIDHWXIJ-HXUWFJFHSA-N 2 1 317.521 3.363 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384252 1106238609 /nfs/dbraw/zinc/23/86/09/1106238609.db2.gz WNXPZIMIDHWXIJ-HXUWFJFHSA-N 2 1 317.521 3.363 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384252 1106238613 /nfs/dbraw/zinc/23/86/13/1106238613.db2.gz WNXPZIMIDHWXIJ-HXUWFJFHSA-N 2 1 317.521 3.363 20 0 DGADMP NC(=[NH2+])N(c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388240 1106239071 /nfs/dbraw/zinc/23/90/71/1106239071.db2.gz XNRMLOPBAAWYQS-IBGZPJMESA-N 2 1 322.456 3.441 20 0 DGADMP CC1(C)C[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)O1 ZINC001255388255 1106239231 /nfs/dbraw/zinc/23/92/31/1106239231.db2.gz XQLUKIGPPLMODJ-ROUUACIJSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)O1 ZINC001255388254 1106239509 /nfs/dbraw/zinc/23/95/09/1106239509.db2.gz XQLUKIGPPLMODJ-QZTJIDSGSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC001255390584 1106239659 /nfs/dbraw/zinc/23/96/59/1106239659.db2.gz JDYXWANESPDMJD-QZTJIDSGSA-N 2 1 302.462 3.198 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255397056 1106240587 /nfs/dbraw/zinc/24/05/87/1106240587.db2.gz DHMLFOGPINXCIL-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255397056 1106240588 /nfs/dbraw/zinc/24/05/88/1106240588.db2.gz DHMLFOGPINXCIL-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397056 1106240592 /nfs/dbraw/zinc/24/05/92/1106240592.db2.gz DHMLFOGPINXCIL-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255392858 1106240827 /nfs/dbraw/zinc/24/08/27/1106240827.db2.gz IZEHXBSTQGIGMK-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CCN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392858 1106240829 /nfs/dbraw/zinc/24/08/29/1106240829.db2.gz IZEHXBSTQGIGMK-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392858 1106240831 /nfs/dbraw/zinc/24/08/31/1106240831.db2.gz IZEHXBSTQGIGMK-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255392858 1106240833 /nfs/dbraw/zinc/24/08/33/1106240833.db2.gz IZEHXBSTQGIGMK-UXHICEINSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255392858 1106240834 /nfs/dbraw/zinc/24/08/34/1106240834.db2.gz IZEHXBSTQGIGMK-UXHICEINSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392858 1106240836 /nfs/dbraw/zinc/24/08/36/1106240836.db2.gz IZEHXBSTQGIGMK-UXHICEINSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392858 1106240839 /nfs/dbraw/zinc/24/08/39/1106240839.db2.gz IZEHXBSTQGIGMK-UXHICEINSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@@H+](C1CCOCC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255397313 1106241609 /nfs/dbraw/zinc/24/16/09/1106241609.db2.gz FEBBMQQKFVOJJZ-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+](C1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397313 1106241614 /nfs/dbraw/zinc/24/16/14/1106241614.db2.gz FEBBMQQKFVOJJZ-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+](C1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397313 1106241618 /nfs/dbraw/zinc/24/16/18/1106241618.db2.gz FEBBMQQKFVOJJZ-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001255398538 1106242102 /nfs/dbraw/zinc/24/21/02/1106242102.db2.gz JUXLHUFCENKFPH-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001255398538 1106242107 /nfs/dbraw/zinc/24/21/07/1106242107.db2.gz JUXLHUFCENKFPH-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001255398538 1106242111 /nfs/dbraw/zinc/24/21/11/1106242111.db2.gz JUXLHUFCENKFPH-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(O)CCCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399419 1106242631 /nfs/dbraw/zinc/24/26/31/1106242631.db2.gz RQKYZTQADVCVHE-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399419 1106242634 /nfs/dbraw/zinc/24/26/34/1106242634.db2.gz RQKYZTQADVCVHE-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399419 1106242638 /nfs/dbraw/zinc/24/26/38/1106242638.db2.gz RQKYZTQADVCVHE-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001255399437 1106242692 /nfs/dbraw/zinc/24/26/92/1106242692.db2.gz RVKWVFKFEOKOKM-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001255399437 1106242695 /nfs/dbraw/zinc/24/26/95/1106242695.db2.gz RVKWVFKFEOKOKM-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001255399437 1106242696 /nfs/dbraw/zinc/24/26/96/1106242696.db2.gz RVKWVFKFEOKOKM-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399221 1106243522 /nfs/dbraw/zinc/24/35/22/1106243522.db2.gz PDHRIHWBOAUFSB-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399221 1106243525 /nfs/dbraw/zinc/24/35/25/1106243525.db2.gz PDHRIHWBOAUFSB-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399221 1106243528 /nfs/dbraw/zinc/24/35/28/1106243528.db2.gz PDHRIHWBOAUFSB-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC4(C3)CCCOC4)CC2)cc1 ZINC001255401012 1106244045 /nfs/dbraw/zinc/24/40/45/1106244045.db2.gz QOTUTKUQHQIXFQ-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]1CN([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@@H+]1C ZINC001255404528 1106244415 /nfs/dbraw/zinc/24/44/15/1106244415.db2.gz JROMYSQYSUQBMA-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)[NH+]1C ZINC001255404528 1106244419 /nfs/dbraw/zinc/24/44/19/1106244419.db2.gz JROMYSQYSUQBMA-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)[NH+]1C ZINC001255404528 1106244422 /nfs/dbraw/zinc/24/44/22/1106244422.db2.gz JROMYSQYSUQBMA-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[NH+](C)[C@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255401854 1106244528 /nfs/dbraw/zinc/24/45/28/1106244528.db2.gz DBSYHYIUOFPQQN-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CC1(C)COCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406880 1106246443 /nfs/dbraw/zinc/24/64/43/1106246443.db2.gz URJPEQSFYSRPSC-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)COCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406880 1106246445 /nfs/dbraw/zinc/24/64/45/1106246445.db2.gz URJPEQSFYSRPSC-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)COCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406880 1106246448 /nfs/dbraw/zinc/24/64/48/1106246448.db2.gz URJPEQSFYSRPSC-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)COCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255406880 1106246452 /nfs/dbraw/zinc/24/64/52/1106246452.db2.gz URJPEQSFYSRPSC-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408265 1106246483 /nfs/dbraw/zinc/24/64/83/1106246483.db2.gz JGAIPFHXINHNAO-WOJBJXKFSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408265 1106246485 /nfs/dbraw/zinc/24/64/85/1106246485.db2.gz JGAIPFHXINHNAO-WOJBJXKFSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408265 1106246488 /nfs/dbraw/zinc/24/64/88/1106246488.db2.gz JGAIPFHXINHNAO-WOJBJXKFSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408265 1106246490 /nfs/dbraw/zinc/24/64/90/1106246490.db2.gz JGAIPFHXINHNAO-WOJBJXKFSA-N 2 1 314.473 3.152 20 0 DGADMP CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406827 1106246631 /nfs/dbraw/zinc/24/66/31/1106246631.db2.gz UMBMMGSKLDKXDM-UXHICEINSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406827 1106246633 /nfs/dbraw/zinc/24/66/33/1106246633.db2.gz UMBMMGSKLDKXDM-UXHICEINSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406827 1106246635 /nfs/dbraw/zinc/24/66/35/1106246635.db2.gz UMBMMGSKLDKXDM-UXHICEINSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406827 1106246638 /nfs/dbraw/zinc/24/66/38/1106246638.db2.gz UMBMMGSKLDKXDM-UXHICEINSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406838 1106247394 /nfs/dbraw/zinc/24/73/94/1106247394.db2.gz UMBMMGSKLDKXDM-WOJBJXKFSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406838 1106247397 /nfs/dbraw/zinc/24/73/97/1106247397.db2.gz UMBMMGSKLDKXDM-WOJBJXKFSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406838 1106247400 /nfs/dbraw/zinc/24/74/00/1106247400.db2.gz UMBMMGSKLDKXDM-WOJBJXKFSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406838 1106247403 /nfs/dbraw/zinc/24/74/03/1106247403.db2.gz UMBMMGSKLDKXDM-WOJBJXKFSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409925 1106248346 /nfs/dbraw/zinc/24/83/46/1106248346.db2.gz NHKPDZGQIVNEGY-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409925 1106248349 /nfs/dbraw/zinc/24/83/49/1106248349.db2.gz NHKPDZGQIVNEGY-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409925 1106248353 /nfs/dbraw/zinc/24/83/53/1106248353.db2.gz NHKPDZGQIVNEGY-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409925 1106248356 /nfs/dbraw/zinc/24/83/56/1106248356.db2.gz NHKPDZGQIVNEGY-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP CC[N@H+]1CCN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC001255414597 1106248508 /nfs/dbraw/zinc/24/85/08/1106248508.db2.gz ZYXVSAYVRMGZNK-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H]1C ZINC001255414597 1106248513 /nfs/dbraw/zinc/24/85/13/1106248513.db2.gz ZYXVSAYVRMGZNK-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP COC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001255459898 1106253703 /nfs/dbraw/zinc/25/37/03/1106253703.db2.gz XOESKNZGOIVDKV-RYTJFDOTSA-N 2 1 320.502 3.069 20 0 DGADMP COC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001255459898 1106253704 /nfs/dbraw/zinc/25/37/04/1106253704.db2.gz XOESKNZGOIVDKV-RYTJFDOTSA-N 2 1 320.502 3.069 20 0 DGADMP COC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001255459898 1106253706 /nfs/dbraw/zinc/25/37/06/1106253706.db2.gz XOESKNZGOIVDKV-RYTJFDOTSA-N 2 1 320.502 3.069 20 0 DGADMP COC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001255459898 1106253708 /nfs/dbraw/zinc/25/37/08/1106253708.db2.gz XOESKNZGOIVDKV-RYTJFDOTSA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CCO1 ZINC001255534448 1106265611 /nfs/dbraw/zinc/26/56/11/1106265611.db2.gz UAAHSXQRPNJZMO-INIZCTEOSA-N 2 1 306.425 3.033 20 0 DGADMP CCC(CC)[N@H+](C1CCC2(CC1)OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255619459 1106278830 /nfs/dbraw/zinc/27/88/30/1106278830.db2.gz PKUVRRJBBIPOOL-JCNLHEQBSA-N 2 1 324.509 3.433 20 0 DGADMP CC(C)(C)C[N@H+](C1CCC2(CC1)OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255619144 1106279144 /nfs/dbraw/zinc/27/91/44/1106279144.db2.gz JHFLKDQOWPPHOA-WKILWMFISA-N 2 1 324.509 3.290 20 0 DGADMP C[C@H](CC(F)(F)F)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255642789 1106282951 /nfs/dbraw/zinc/28/29/51/1106282951.db2.gz HKAODMHPIWCDHC-BPLDGKMQSA-N 2 1 315.383 3.494 20 0 DGADMP CCOc1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255663751 1106289660 /nfs/dbraw/zinc/28/96/60/1106289660.db2.gz PYJYSISYUREIHD-AYHJJNSGSA-N 2 1 302.462 3.233 20 0 DGADMP CCOC(=O)CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255665710 1106290507 /nfs/dbraw/zinc/29/05/07/1106290507.db2.gz DDAIRMQHGNZORN-ALOPSCKCSA-N 2 1 310.482 3.105 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668274 1106291311 /nfs/dbraw/zinc/29/13/11/1106291311.db2.gz IYBKMBQAALNHPK-MUSFGAPCSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)ccn1 ZINC001255672714 1106291716 /nfs/dbraw/zinc/29/17/16/1106291716.db2.gz PTLZSIAQJCJVAB-PHSGOXPASA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)ccn1 ZINC001255672714 1106291720 /nfs/dbraw/zinc/29/17/20/1106291720.db2.gz PTLZSIAQJCJVAB-PHSGOXPASA-N 2 1 315.461 3.146 20 0 DGADMP COc1ccccc1CC[N@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681115 1106293336 /nfs/dbraw/zinc/29/33/36/1106293336.db2.gz MXRMMFRWPIRXJX-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CC[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681115 1106293341 /nfs/dbraw/zinc/29/33/41/1106293341.db2.gz MXRMMFRWPIRXJX-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681115 1106293345 /nfs/dbraw/zinc/29/33/45/1106293345.db2.gz MXRMMFRWPIRXJX-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681115 1106293348 /nfs/dbraw/zinc/29/33/48/1106293348.db2.gz MXRMMFRWPIRXJX-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CC(=O)OC)c1ccccc1 ZINC001255941610 1106345224 /nfs/dbraw/zinc/34/52/24/1106345224.db2.gz VEPIIHQUTSATMR-RDJZCZTQSA-N 2 1 306.450 3.001 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC001255942919 1106345462 /nfs/dbraw/zinc/34/54/62/1106345462.db2.gz JDNMLXMOBIKQBS-GJZGRUSLSA-N 2 1 308.466 3.475 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnccc1C(F)(F)F ZINC001255940871 1106345677 /nfs/dbraw/zinc/34/56/77/1106345677.db2.gz HVEISMADUXWKNC-LBPRGKRZSA-N 2 1 303.372 3.310 20 0 DGADMP CCOC(=O)C[C@H]([NH2+][C@H](C)CC[NH+](CC)CC)c1ccccc1 ZINC001255948515 1106347331 /nfs/dbraw/zinc/34/73/31/1106347331.db2.gz MQRXUKGFGDJADP-AEFFLSMTSA-N 2 1 320.477 3.391 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC001255947673 1106347592 /nfs/dbraw/zinc/34/75/92/1106347592.db2.gz UWPASMZPMVPSSC-CYBMUJFWSA-N 2 1 300.393 3.498 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001255951374 1106348378 /nfs/dbraw/zinc/34/83/78/1106348378.db2.gz JNSFIRMRBCZQAB-GFCCVEGCSA-N 2 1 303.372 3.310 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001255961683 1106350596 /nfs/dbraw/zinc/35/05/96/1106350596.db2.gz NXWCFHFZMQULON-INIZCTEOSA-N 2 1 322.468 3.230 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001255963110 1106351284 /nfs/dbraw/zinc/35/12/84/1106351284.db2.gz CNAVSNJDOOAUIV-FUHWJXTLSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001255963110 1106351286 /nfs/dbraw/zinc/35/12/86/1106351286.db2.gz CNAVSNJDOOAUIV-FUHWJXTLSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001255964800 1106351390 /nfs/dbraw/zinc/35/13/90/1106351390.db2.gz UNFWJTFDZUIYFM-HOJAQTOUSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001255967849 1106352152 /nfs/dbraw/zinc/35/21/52/1106352152.db2.gz UCAGRHZUWOZWPY-OALUTQOASA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001255968519 1106352189 /nfs/dbraw/zinc/35/21/89/1106352189.db2.gz AGSFQJBAHIVMKN-QGZVFWFLSA-N 2 1 321.484 3.458 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+]([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255973127 1106353185 /nfs/dbraw/zinc/35/31/85/1106353185.db2.gz XWGMYRYKTJLSHR-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP c1ccc(COC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256078556 1106366526 /nfs/dbraw/zinc/36/65/26/1106366526.db2.gz ZEXKIUYJFJSBGI-UHFFFAOYSA-N 2 1 314.473 3.294 20 0 DGADMP COc1cccc(C[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001256157168 1106381647 /nfs/dbraw/zinc/38/16/47/1106381647.db2.gz UECZZRVMWXYLPT-MRXNPFEDSA-N 2 1 302.462 3.186 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001256196473 1106388910 /nfs/dbraw/zinc/38/89/10/1106388910.db2.gz NOPHVPHSMOIEIH-AWEZNQCLSA-N 2 1 314.351 3.256 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](c2cncc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256199631 1106389487 /nfs/dbraw/zinc/38/94/87/1106389487.db2.gz SQMUGLXOKJPKRY-OAHLLOKOSA-N 2 1 313.367 3.235 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001256213578 1106392263 /nfs/dbraw/zinc/39/22/63/1106392263.db2.gz ZOPIJZMCWPTDQT-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001256213578 1106392269 /nfs/dbraw/zinc/39/22/69/1106392269.db2.gz ZOPIJZMCWPTDQT-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523506 1106433178 /nfs/dbraw/zinc/43/31/78/1106433178.db2.gz PGEMKXHPMXWSME-PBWTXFEYSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523506 1106433181 /nfs/dbraw/zinc/43/31/81/1106433181.db2.gz PGEMKXHPMXWSME-PBWTXFEYSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522522 1106433247 /nfs/dbraw/zinc/43/32/47/1106433247.db2.gz KTSZUSOOWNWWIO-UYAOXDASSA-N 3 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522522 1106433251 /nfs/dbraw/zinc/43/32/51/1106433251.db2.gz KTSZUSOOWNWWIO-UYAOXDASSA-N 3 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519897 1106433580 /nfs/dbraw/zinc/43/35/80/1106433580.db2.gz GMRAOOVOAJWOLP-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256519897 1106433581 /nfs/dbraw/zinc/43/35/81/1106433581.db2.gz GMRAOOVOAJWOLP-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cccnc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528734 1106434682 /nfs/dbraw/zinc/43/46/82/1106434682.db2.gz KJVAWGWDXDFSNN-WBVHZDCISA-N 2 1 310.445 3.005 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535989 1106436285 /nfs/dbraw/zinc/43/62/85/1106436285.db2.gz BKFIDWKIJGLKRM-RSPOEFSDSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535989 1106436288 /nfs/dbraw/zinc/43/62/88/1106436288.db2.gz BKFIDWKIJGLKRM-RSPOEFSDSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535989 1106436290 /nfs/dbraw/zinc/43/62/90/1106436290.db2.gz BKFIDWKIJGLKRM-RSPOEFSDSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535989 1106436292 /nfs/dbraw/zinc/43/62/92/1106436292.db2.gz BKFIDWKIJGLKRM-RSPOEFSDSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC[C@@H](O)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536052 1106436368 /nfs/dbraw/zinc/43/63/68/1106436368.db2.gz BZFRXKOHRPNRGF-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC[C@@H](O)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536052 1106436371 /nfs/dbraw/zinc/43/63/71/1106436371.db2.gz BZFRXKOHRPNRGF-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536052 1106436372 /nfs/dbraw/zinc/43/63/72/1106436372.db2.gz BZFRXKOHRPNRGF-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536052 1106436374 /nfs/dbraw/zinc/43/63/74/1106436374.db2.gz BZFRXKOHRPNRGF-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](O)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536049 1106436660 /nfs/dbraw/zinc/43/66/60/1106436660.db2.gz BZFRXKOHRPNRGF-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](O)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536049 1106436663 /nfs/dbraw/zinc/43/66/63/1106436663.db2.gz BZFRXKOHRPNRGF-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536049 1106436666 /nfs/dbraw/zinc/43/66/66/1106436666.db2.gz BZFRXKOHRPNRGF-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536049 1106436668 /nfs/dbraw/zinc/43/66/68/1106436668.db2.gz BZFRXKOHRPNRGF-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540709 1106437860 /nfs/dbraw/zinc/43/78/60/1106437860.db2.gz JOHJJZVXGLTSQR-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540709 1106437863 /nfs/dbraw/zinc/43/78/63/1106437863.db2.gz JOHJJZVXGLTSQR-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540709 1106437867 /nfs/dbraw/zinc/43/78/67/1106437867.db2.gz JOHJJZVXGLTSQR-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540709 1106437871 /nfs/dbraw/zinc/43/78/71/1106437871.db2.gz JOHJJZVXGLTSQR-YQVWRLOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551095 1106440671 /nfs/dbraw/zinc/44/06/71/1106440671.db2.gz PMYYFMTVHRIRQG-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551095 1106440672 /nfs/dbraw/zinc/44/06/72/1106440672.db2.gz PMYYFMTVHRIRQG-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC001256553975 1106442334 /nfs/dbraw/zinc/44/23/34/1106442334.db2.gz MXMZTMINPRRZTH-PNYFIKQUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC001256553975 1106442336 /nfs/dbraw/zinc/44/23/36/1106442336.db2.gz MXMZTMINPRRZTH-PNYFIKQUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC001256553975 1106442338 /nfs/dbraw/zinc/44/23/38/1106442338.db2.gz MXMZTMINPRRZTH-PNYFIKQUSA-N 2 1 315.505 3.064 20 0 DGADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001256556710 1106443642 /nfs/dbraw/zinc/44/36/42/1106443642.db2.gz IOZJLECJBCXKGC-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001256556710 1106443645 /nfs/dbraw/zinc/44/36/45/1106443645.db2.gz IOZJLECJBCXKGC-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001256556710 1106443648 /nfs/dbraw/zinc/44/36/48/1106443648.db2.gz IOZJLECJBCXKGC-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ncon3)cc2)CC1 ZINC001256561852 1106445855 /nfs/dbraw/zinc/44/58/55/1106445855.db2.gz OYSBURAXXOOEFW-UHFFFAOYSA-N 2 1 314.433 3.089 20 0 DGADMP CCC(CC)[N@H+](C1C[C@H]2CC[C@@H](C1)N2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256619870 1106455049 /nfs/dbraw/zinc/45/50/49/1106455049.db2.gz KPXMRICZCXJTKV-JROWMXPESA-N 2 1 307.526 3.372 20 0 DGADMP CCC(CC)[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256619870 1106455051 /nfs/dbraw/zinc/45/50/51/1106455051.db2.gz KPXMRICZCXJTKV-JROWMXPESA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256619870 1106455054 /nfs/dbraw/zinc/45/50/54/1106455054.db2.gz KPXMRICZCXJTKV-JROWMXPESA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256619870 1106455056 /nfs/dbraw/zinc/45/50/56/1106455056.db2.gz KPXMRICZCXJTKV-JROWMXPESA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256619870 1106455059 /nfs/dbraw/zinc/45/50/59/1106455059.db2.gz KPXMRICZCXJTKV-JROWMXPESA-N 3 1 307.526 3.372 20 0 DGADMP COc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001256618197 1106455219 /nfs/dbraw/zinc/45/52/19/1106455219.db2.gz BMKZZRXSNYTYBN-ALOPSCKCSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1ccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001256627593 1106457160 /nfs/dbraw/zinc/45/71/60/1106457160.db2.gz HJHSKYORTZZMKV-WMWLNJEOSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001256627593 1106457163 /nfs/dbraw/zinc/45/71/63/1106457163.db2.gz HJHSKYORTZZMKV-WMWLNJEOSA-N 2 1 314.473 3.463 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001256631444 1106457519 /nfs/dbraw/zinc/45/75/19/1106457519.db2.gz VOOIHMODWGWJEA-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001256631444 1106457522 /nfs/dbraw/zinc/45/75/22/1106457522.db2.gz VOOIHMODWGWJEA-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001256631444 1106457526 /nfs/dbraw/zinc/45/75/26/1106457526.db2.gz VOOIHMODWGWJEA-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256731271 1106475278 /nfs/dbraw/zinc/47/52/78/1106475278.db2.gz DNHJOHSOIDMJMU-VDGAXYAQSA-N 2 1 324.472 3.180 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256784067 1106481879 /nfs/dbraw/zinc/48/18/79/1106481879.db2.gz BCULRNDBJWKGRX-NZSAHSFTSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001256821391 1106491094 /nfs/dbraw/zinc/49/10/94/1106491094.db2.gz AFORSIWUDVGFOX-RBUKOAKNSA-N 2 1 300.446 3.077 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256896373 1106503604 /nfs/dbraw/zinc/50/36/04/1106503604.db2.gz BTQBVUGKBKRONH-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256896373 1106503607 /nfs/dbraw/zinc/50/36/07/1106503607.db2.gz BTQBVUGKBKRONH-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901685 1106505677 /nfs/dbraw/zinc/50/56/77/1106505677.db2.gz IPGJSCZFHIJSEG-RDJZCZTQSA-N 2 1 302.462 3.492 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901685 1106505678 /nfs/dbraw/zinc/50/56/78/1106505678.db2.gz IPGJSCZFHIJSEG-RDJZCZTQSA-N 2 1 302.462 3.492 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901968 1106506170 /nfs/dbraw/zinc/50/61/70/1106506170.db2.gz MWVWCRYPAFGLFR-MRXNPFEDSA-N 2 1 310.482 3.107 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901968 1106506172 /nfs/dbraw/zinc/50/61/72/1106506172.db2.gz MWVWCRYPAFGLFR-MRXNPFEDSA-N 2 1 310.482 3.107 20 0 DGADMP O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+][C@H]4CCC[N@@H+](C5CCCC5)C4)(C3)C1)C2 ZINC001256903132 1106507120 /nfs/dbraw/zinc/50/71/20/1106507120.db2.gz XRVIEDSLKDQOGV-NDLGOLERSA-N 2 1 318.505 3.067 20 0 DGADMP O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+][C@H]4CCC[N@H+](C5CCCC5)C4)(C3)C1)C2 ZINC001256903132 1106507122 /nfs/dbraw/zinc/50/71/22/1106507122.db2.gz XRVIEDSLKDQOGV-NDLGOLERSA-N 2 1 318.505 3.067 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907789 1106509173 /nfs/dbraw/zinc/50/91/73/1106509173.db2.gz ILWVRSSGEZWYQB-NVXWUHKLSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907789 1106509178 /nfs/dbraw/zinc/50/91/78/1106509178.db2.gz ILWVRSSGEZWYQB-NVXWUHKLSA-N 2 1 302.462 3.320 20 0 DGADMP CCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256915994 1106511132 /nfs/dbraw/zinc/51/11/32/1106511132.db2.gz DFZBDSKASQBPKY-LJQANCHMSA-N 2 1 307.526 3.201 20 0 DGADMP CC[NH+](CC)C1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256918520 1106512346 /nfs/dbraw/zinc/51/23/46/1106512346.db2.gz PJTOSJYECVSKGK-IBGZPJMESA-N 2 1 307.526 3.200 20 0 DGADMP C[C@@H]1CC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@@H](C)O1 ZINC001257091965 1106536652 /nfs/dbraw/zinc/53/66/52/1106536652.db2.gz LVVGLVZMQPQVNX-FPCVCCKLSA-N 2 1 320.502 3.068 20 0 DGADMP C[C@@H]1CC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@@H](C)O1 ZINC001257091965 1106536656 /nfs/dbraw/zinc/53/66/56/1106536656.db2.gz LVVGLVZMQPQVNX-FPCVCCKLSA-N 2 1 320.502 3.068 20 0 DGADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C[C@@H](C)O1 ZINC001257091965 1106536662 /nfs/dbraw/zinc/53/66/62/1106536662.db2.gz LVVGLVZMQPQVNX-FPCVCCKLSA-N 2 1 320.502 3.068 20 0 DGADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C[C@@H](C)O1 ZINC001257091965 1106536664 /nfs/dbraw/zinc/53/66/64/1106536664.db2.gz LVVGLVZMQPQVNX-FPCVCCKLSA-N 2 1 320.502 3.068 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001257210734 1106551728 /nfs/dbraw/zinc/55/17/28/1106551728.db2.gz XKVUJQYUKAGNRR-SFHVURJKSA-N 2 1 302.462 3.105 20 0 DGADMP COc1cc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)ccn1 ZINC001257212799 1106552324 /nfs/dbraw/zinc/55/23/24/1106552324.db2.gz BMWTZJLACFBBRR-SFHVURJKSA-N 2 1 303.450 3.004 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001257211886 1106552599 /nfs/dbraw/zinc/55/25/99/1106552599.db2.gz PQHJDYIKCYXSQC-IBGZPJMESA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)[NH+]1CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001257223898 1106554309 /nfs/dbraw/zinc/55/43/09/1106554309.db2.gz HWALDVPGOMOJLJ-UHFFFAOYSA-N 2 1 312.461 3.218 20 0 DGADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257250609 1106556040 /nfs/dbraw/zinc/55/60/40/1106556040.db2.gz RVMKSNOYSUUYAC-QYZOEREBSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257250609 1106556044 /nfs/dbraw/zinc/55/60/44/1106556044.db2.gz RVMKSNOYSUUYAC-QYZOEREBSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](CC)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001257260412 1106557353 /nfs/dbraw/zinc/55/73/53/1106557353.db2.gz RYELCPXXAKXJHR-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@H](CC)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001257260412 1106557356 /nfs/dbraw/zinc/55/73/56/1106557356.db2.gz RYELCPXXAKXJHR-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@@H](CC)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001257259814 1106557869 /nfs/dbraw/zinc/55/78/69/1106557869.db2.gz NIZCBYVHOMXDSN-GUDVDZBRSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@@H](CC)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001257259814 1106557872 /nfs/dbraw/zinc/55/78/72/1106557872.db2.gz NIZCBYVHOMXDSN-GUDVDZBRSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@@H](CC)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001257259814 1106557875 /nfs/dbraw/zinc/55/78/75/1106557875.db2.gz NIZCBYVHOMXDSN-GUDVDZBRSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001257308746 1106565023 /nfs/dbraw/zinc/56/50/23/1106565023.db2.gz FWSXQYZQRUGCQD-OAHLLOKOSA-N 2 1 315.502 3.001 20 0 DGADMP CCCC[C@H](CC)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001257409642 1106583828 /nfs/dbraw/zinc/58/38/28/1106583828.db2.gz DOKUMMLHORQIFG-FQEVSTJZSA-N 2 1 317.521 3.492 20 0 DGADMP CCCC[C@H](CC)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001257426938 1106587435 /nfs/dbraw/zinc/58/74/35/1106587435.db2.gz VWRZOYOULOLVKP-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001257437055 1106588488 /nfs/dbraw/zinc/58/84/88/1106588488.db2.gz GXAZEOQSKCAVGO-FHWLQOOXSA-N 2 1 302.462 3.308 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001257439229 1106589273 /nfs/dbraw/zinc/58/92/73/1106589273.db2.gz FDGXUFLHPQIHPI-HNNXBMFYSA-N 2 1 308.491 3.213 20 0 DGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257478481 1106596551 /nfs/dbraw/zinc/59/65/51/1106596551.db2.gz NTHHHQVBXUWYOI-AKHDSKFASA-N 2 1 309.542 3.302 20 0 DGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257503788 1106599254 /nfs/dbraw/zinc/59/92/54/1106599254.db2.gz DVHACQPLUTUSTD-SXLOBPIMSA-N 2 1 318.505 3.428 20 0 DGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257503788 1106599256 /nfs/dbraw/zinc/59/92/56/1106599256.db2.gz DVHACQPLUTUSTD-SXLOBPIMSA-N 2 1 318.505 3.428 20 0 DGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671602 1106617740 /nfs/dbraw/zinc/61/77/40/1106617740.db2.gz PADCKTXMMGZYTM-QLFBSQMISA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671602 1106617742 /nfs/dbraw/zinc/61/77/42/1106617742.db2.gz PADCKTXMMGZYTM-QLFBSQMISA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671602 1106617744 /nfs/dbraw/zinc/61/77/44/1106617744.db2.gz PADCKTXMMGZYTM-QLFBSQMISA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671602 1106617747 /nfs/dbraw/zinc/61/77/47/1106617747.db2.gz PADCKTXMMGZYTM-QLFBSQMISA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671606 1106617862 /nfs/dbraw/zinc/61/78/62/1106617862.db2.gz PADCKTXMMGZYTM-ZNMIVQPWSA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671606 1106617865 /nfs/dbraw/zinc/61/78/65/1106617865.db2.gz PADCKTXMMGZYTM-ZNMIVQPWSA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671606 1106617867 /nfs/dbraw/zinc/61/78/67/1106617867.db2.gz PADCKTXMMGZYTM-ZNMIVQPWSA-N 2 1 308.516 3.007 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCCSC4)C[C@@H]3C2)c1 ZINC001257671606 1106617869 /nfs/dbraw/zinc/61/78/69/1106617869.db2.gz PADCKTXMMGZYTM-ZNMIVQPWSA-N 2 1 308.516 3.007 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@@H]4CCCSC4)C3)C2)cc1 ZINC001257675814 1106618708 /nfs/dbraw/zinc/61/87/08/1106618708.db2.gz FRTLEOXBHBGSPV-RTBURBONSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@@H]4CCCSC4)C3)C2)cc1 ZINC001257675814 1106618709 /nfs/dbraw/zinc/61/87/09/1106618709.db2.gz FRTLEOXBHBGSPV-RTBURBONSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@@H]4CCCSC4)C3)C2)cc1 ZINC001257675814 1106618711 /nfs/dbraw/zinc/61/87/11/1106618711.db2.gz FRTLEOXBHBGSPV-RTBURBONSA-N 2 1 316.514 3.480 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257676413 1106619622 /nfs/dbraw/zinc/61/96/22/1106619622.db2.gz BQZSLYXQIAJUCS-GOSISDBHSA-N 2 1 304.503 3.478 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCC2(COC2)CC1 ZINC001257911220 1106645738 /nfs/dbraw/zinc/64/57/38/1106645738.db2.gz VTMUESQOUDDUMP-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC2(COC2)CC1 ZINC001257911220 1106645740 /nfs/dbraw/zinc/64/57/40/1106645740.db2.gz VTMUESQOUDDUMP-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257911220 1106645744 /nfs/dbraw/zinc/64/57/44/1106645744.db2.gz VTMUESQOUDDUMP-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2COc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001257960541 1106652296 /nfs/dbraw/zinc/65/22/96/1106652296.db2.gz XTRZXLLTTKYWBM-KBRIMQKVSA-N 2 1 322.880 3.352 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)n2C)CC1 ZINC001258001091 1106655873 /nfs/dbraw/zinc/65/58/73/1106655873.db2.gz AOHDUIXCBOBZBM-UHFFFAOYSA-N 2 1 317.399 3.254 20 0 DGADMP COc1cc([C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)ccn1 ZINC001258007717 1106656738 /nfs/dbraw/zinc/65/67/38/1106656738.db2.gz PBEGUPXMDHXLPV-IBGZPJMESA-N 2 1 317.477 3.251 20 0 DGADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001258008333 1106657245 /nfs/dbraw/zinc/65/72/45/1106657245.db2.gz NLOVCVQQCMNGEZ-FQEVSTJZSA-N 2 1 321.553 3.351 20 0 DGADMP CC(C)C[N@H+](C1CC[NH+](CC(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258007750 1106657373 /nfs/dbraw/zinc/65/73/73/1106657373.db2.gz QUVSTNWMNLSGKY-IYARVYRRSA-N 3 1 309.542 3.335 20 0 DGADMP CC(C)CN1CCC([N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007750 1106657374 /nfs/dbraw/zinc/65/73/74/1106657374.db2.gz QUVSTNWMNLSGKY-IYARVYRRSA-N 2 1 309.542 3.335 20 0 DGADMP CC(C)CN1CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007750 1106657376 /nfs/dbraw/zinc/65/73/76/1106657376.db2.gz QUVSTNWMNLSGKY-IYARVYRRSA-N 2 1 309.542 3.335 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258010588 1106658244 /nfs/dbraw/zinc/65/82/44/1106658244.db2.gz CYJIJEXCBDMIFF-IBGZPJMESA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001258015041 1106658370 /nfs/dbraw/zinc/65/83/70/1106658370.db2.gz XRHSWPCYIJFRQM-IBGZPJMESA-N 2 1 301.478 3.209 20 0 DGADMP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258135218 1106679893 /nfs/dbraw/zinc/67/98/93/1106679893.db2.gz TZMSUTDHAPJKMW-KESTWPANSA-N 2 1 316.489 3.241 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189491 1106692172 /nfs/dbraw/zinc/69/21/72/1106692172.db2.gz RYMNOKXVPJEWNP-PKOBYXMFSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189491 1106692175 /nfs/dbraw/zinc/69/21/75/1106692175.db2.gz RYMNOKXVPJEWNP-PKOBYXMFSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189491 1106692177 /nfs/dbraw/zinc/69/21/77/1106692177.db2.gz RYMNOKXVPJEWNP-PKOBYXMFSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189491 1106692178 /nfs/dbraw/zinc/69/21/78/1106692178.db2.gz RYMNOKXVPJEWNP-PKOBYXMFSA-N 2 1 320.477 3.033 20 0 DGADMP CCCCC(CCCC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258385457 1106726107 /nfs/dbraw/zinc/72/61/07/1106726107.db2.gz FRLCYZNEDKAURE-RBUKOAKNSA-N 2 1 309.542 3.446 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001258401743 1106730806 /nfs/dbraw/zinc/73/08/06/1106730806.db2.gz AUEXANPPQSOHPV-QGZVFWFLSA-N 2 1 304.478 3.434 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258505002 1106784959 /nfs/dbraw/zinc/78/49/59/1106784959.db2.gz YVNBZIPDBCKMID-UHFFFAOYSA-N 2 1 303.494 3.367 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258535397 1106804610 /nfs/dbraw/zinc/80/46/10/1106804610.db2.gz ICASERRIAMNJST-UHFFFAOYSA-N 2 1 318.852 3.104 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258610537 1106852416 /nfs/dbraw/zinc/85/24/16/1106852416.db2.gz PRODTKVHXAWGNB-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP CCC1CCC(C2CCC([NH2+]C[C@H](C[NH3+])C(=O)OC)CC2)CC1 ZINC001258631273 1106866655 /nfs/dbraw/zinc/86/66/55/1106866655.db2.gz FZGZARGRMYWVJA-LESVLKBLSA-N 2 1 324.509 3.099 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690441 1106907801 /nfs/dbraw/zinc/90/78/01/1106907801.db2.gz RHJXSDVYMZIBNL-CGTJXYLNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690441 1106907811 /nfs/dbraw/zinc/90/78/11/1106907811.db2.gz RHJXSDVYMZIBNL-CGTJXYLNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258742036 1106944570 /nfs/dbraw/zinc/94/45/70/1106944570.db2.gz RRVZTNZFWGMUDZ-KBRIMQKVSA-N 2 1 322.880 3.242 20 0 DGADMP CCCN1CCC([NH2+]CC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001258769662 1106965022 /nfs/dbraw/zinc/96/50/22/1106965022.db2.gz ABZSYJKJUXPVHX-UHFFFAOYSA-N 2 1 321.553 3.353 20 0 DGADMP CC[C@H](C)C[C@H](CC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258795021 1106983223 /nfs/dbraw/zinc/98/32/23/1106983223.db2.gz NXJOUAHTPSLBHE-HOTGVXAUSA-N 2 1 300.487 3.018 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813674 1106995758 /nfs/dbraw/zinc/99/57/58/1106995758.db2.gz LJEQTWDYVVDBJO-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813674 1106995767 /nfs/dbraw/zinc/99/57/67/1106995767.db2.gz LJEQTWDYVVDBJO-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258821144 1107002539 /nfs/dbraw/zinc/00/25/39/1107002539.db2.gz UDPLPDHDBXUJTJ-FRYIKTPZSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258821144 1107002554 /nfs/dbraw/zinc/00/25/54/1107002554.db2.gz UDPLPDHDBXUJTJ-FRYIKTPZSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258821144 1107002570 /nfs/dbraw/zinc/00/25/70/1107002570.db2.gz UDPLPDHDBXUJTJ-FRYIKTPZSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824530 1107008071 /nfs/dbraw/zinc/00/80/71/1107008071.db2.gz VRUNOCLHZNAHTA-BTHPGYMESA-N 2 1 320.521 3.388 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824530 1107008082 /nfs/dbraw/zinc/00/80/82/1107008082.db2.gz VRUNOCLHZNAHTA-BTHPGYMESA-N 2 1 320.521 3.388 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824530 1107008094 /nfs/dbraw/zinc/00/80/94/1107008094.db2.gz VRUNOCLHZNAHTA-BTHPGYMESA-N 2 1 320.521 3.388 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258893794 1107041747 /nfs/dbraw/zinc/04/17/47/1107041747.db2.gz NYAYDLYIALTAOE-MRXNPFEDSA-N 2 1 302.462 3.044 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)n1cc(CC[NH3+])c2cnccc21 ZINC001258903723 1107049935 /nfs/dbraw/zinc/04/99/35/1107049935.db2.gz ZMWHBFSMLOEXTD-OAHLLOKOSA-N 2 1 302.466 3.221 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258905108 1107052650 /nfs/dbraw/zinc/05/26/50/1107052650.db2.gz UMSACBTZKFKLCV-QZTJIDSGSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258905108 1107052666 /nfs/dbraw/zinc/05/26/66/1107052666.db2.gz UMSACBTZKFKLCV-QZTJIDSGSA-N 3 1 309.542 3.494 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1O ZINC001320747158 1107122665 /nfs/dbraw/zinc/12/26/65/1107122665.db2.gz XIHXQHIATBRYSN-XIRDDKMYSA-N 2 1 320.477 3.184 20 0 DGADMP CCc1cc(N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)nc(C)n1 ZINC001320842581 1107159707 /nfs/dbraw/zinc/15/97/07/1107159707.db2.gz LQUWCRDVGTUFEC-UHFFFAOYSA-N 2 1 324.472 3.368 20 0 DGADMP Fc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC001320842590 1107159911 /nfs/dbraw/zinc/15/99/11/1107159911.db2.gz MDOLAJVAQUQSON-KRWDZBQOSA-N 2 1 308.416 3.458 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC001320842590 1107159915 /nfs/dbraw/zinc/15/99/15/1107159915.db2.gz MDOLAJVAQUQSON-KRWDZBQOSA-N 2 1 308.416 3.458 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC001321069732 1107239058 /nfs/dbraw/zinc/23/90/58/1107239058.db2.gz GELCVKVFPCRVML-GOSISDBHSA-N 2 1 324.472 3.005 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)CC2 ZINC001321163246 1107270410 /nfs/dbraw/zinc/27/04/10/1107270410.db2.gz NTRBTFGKMLXYEE-QRQLOZEOSA-N 2 1 302.462 3.015 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc2)cn1 ZINC001321319694 1107320886 /nfs/dbraw/zinc/32/08/86/1107320886.db2.gz VZZABSKASJKOOK-UHFFFAOYSA-N 2 1 312.461 3.005 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc2)cn1 ZINC001321319694 1107320899 /nfs/dbraw/zinc/32/08/99/1107320899.db2.gz VZZABSKASJKOOK-UHFFFAOYSA-N 2 1 312.461 3.005 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001261213241 1107362260 /nfs/dbraw/zinc/36/22/60/1107362260.db2.gz CKKUDULATIJJTP-RBUKOAKNSA-N 2 1 301.478 3.118 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(Br)o1 ZINC001261423090 1107427459 /nfs/dbraw/zinc/42/74/59/1107427459.db2.gz OEGIHPGKDSIOLJ-SECBINFHSA-N 2 1 324.222 3.055 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)[C@@H]1CC[NH3+] ZINC001261506199 1107454890 /nfs/dbraw/zinc/45/48/90/1107454890.db2.gz KSGRCFOIIZZBEW-HNAYVOBHSA-N 2 1 312.461 3.036 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932099 1107467191 /nfs/dbraw/zinc/46/71/91/1107467191.db2.gz BQCZWAAEJVDEHF-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932099 1107467195 /nfs/dbraw/zinc/46/71/95/1107467195.db2.gz BQCZWAAEJVDEHF-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c(C)n1 ZINC001262013429 1107573867 /nfs/dbraw/zinc/57/38/67/1107573867.db2.gz BZAPSQGMBXDJAI-KRWDZBQOSA-N 2 1 312.461 3.195 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c(C)n1 ZINC001262013430 1107574698 /nfs/dbraw/zinc/57/46/98/1107574698.db2.gz BZAPSQGMBXDJAI-QGZVFWFLSA-N 2 1 312.461 3.195 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318090759 1107835044 /nfs/dbraw/zinc/83/50/44/1107835044.db2.gz SSYWAMZQEGYKQK-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP C[NH+](C)C1CC[NH+](CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001323421432 1107969441 /nfs/dbraw/zinc/96/94/41/1107969441.db2.gz IRPNJVQPBWWBKD-UHFFFAOYSA-N 2 1 316.367 3.154 20 0 DGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC001323978126 1108135291 /nfs/dbraw/zinc/13/52/91/1108135291.db2.gz RZNLDRANLCXDDI-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC001323978126 1108135295 /nfs/dbraw/zinc/13/52/95/1108135295.db2.gz RZNLDRANLCXDDI-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC001323978126 1108135299 /nfs/dbraw/zinc/13/52/99/1108135299.db2.gz RZNLDRANLCXDDI-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC001319198192 1108361470 /nfs/dbraw/zinc/36/14/70/1108361470.db2.gz ATQUAYYULWYHKQ-HZPDHXFCSA-N 2 1 320.477 3.395 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1 ZINC001319198733 1108362125 /nfs/dbraw/zinc/36/21/25/1108362125.db2.gz IMHHKCKHCJEHRZ-SFHVURJKSA-N 2 1 323.484 3.285 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Br ZINC000386356769 1108442586 /nfs/dbraw/zinc/44/25/86/1108442586.db2.gz NVGJUSRVSUGSOW-AWEZNQCLSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Br ZINC000386356769 1108442591 /nfs/dbraw/zinc/44/25/91/1108442591.db2.gz NVGJUSRVSUGSOW-AWEZNQCLSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC000386124731 1108435987 /nfs/dbraw/zinc/43/59/87/1108435987.db2.gz NAZISZCOPGRIOH-AWEZNQCLSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC000386124731 1108435988 /nfs/dbraw/zinc/43/59/88/1108435988.db2.gz NAZISZCOPGRIOH-AWEZNQCLSA-N 2 1 311.267 3.318 20 0 DGADMP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000386140919 1108436648 /nfs/dbraw/zinc/43/66/48/1108436648.db2.gz GYHULOANKYMUQQ-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP Fc1cccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC001325279713 1108612220 /nfs/dbraw/zinc/61/22/20/1108612220.db2.gz YQPZUPOBKQLEOV-PKOBYXMFSA-N 2 1 317.452 3.011 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000389083782 1108621573 /nfs/dbraw/zinc/62/15/73/1108621573.db2.gz LWPHJJKVIDTXKB-WXYCVUISSA-N 2 1 323.278 3.049 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCSCC4)[C@@H]3C2)cc1 ZINC000390819147 1108678145 /nfs/dbraw/zinc/67/81/45/1108678145.db2.gz SLMLNRVHEAYGQT-QXAKKESOSA-N 2 1 316.514 3.382 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000390878672 1108680142 /nfs/dbraw/zinc/68/01/42/1108680142.db2.gz UJFCKKZEXYSORC-LNRIEFBSSA-N 2 1 318.461 3.370 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000390878672 1108680149 /nfs/dbraw/zinc/68/01/49/1108680149.db2.gz UJFCKKZEXYSORC-LNRIEFBSSA-N 2 1 318.461 3.370 20 0 DGADMP Fc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2ncccc12 ZINC000391013936 1108684262 /nfs/dbraw/zinc/68/42/62/1108684262.db2.gz UUXNXMDVKOUAOQ-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2ncccc12 ZINC000391013936 1108684269 /nfs/dbraw/zinc/68/42/69/1108684269.db2.gz UUXNXMDVKOUAOQ-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001265213404 1108779853 /nfs/dbraw/zinc/77/98/53/1108779853.db2.gz RHHBYXCHOPGOOP-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265213404 1108779860 /nfs/dbraw/zinc/77/98/60/1108779860.db2.gz RHHBYXCHOPGOOP-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001265213404 1108779867 /nfs/dbraw/zinc/77/98/67/1108779867.db2.gz RHHBYXCHOPGOOP-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+](CC=C(C)C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266089556 1109085473 /nfs/dbraw/zinc/08/54/73/1109085473.db2.gz PCMAQOYTBKJZDH-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC=C(C)C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266089556 1109085478 /nfs/dbraw/zinc/08/54/78/1109085478.db2.gz PCMAQOYTBKJZDH-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC=C(C)C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266089556 1109085484 /nfs/dbraw/zinc/08/54/84/1109085484.db2.gz PCMAQOYTBKJZDH-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282667596 1109548705 /nfs/dbraw/zinc/54/87/05/1109548705.db2.gz YWYGDKJVMKRYTD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282667596 1109548708 /nfs/dbraw/zinc/54/87/08/1109548708.db2.gz YWYGDKJVMKRYTD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001282667596 1109548711 /nfs/dbraw/zinc/54/87/11/1109548711.db2.gz YWYGDKJVMKRYTD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001307483496 1111304709 /nfs/dbraw/zinc/30/47/09/1111304709.db2.gz XNIIXFPVERFHES-PKOBYXMFSA-N 2 1 320.452 3.118 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001307483496 1111304712 /nfs/dbraw/zinc/30/47/12/1111304712.db2.gz XNIIXFPVERFHES-PKOBYXMFSA-N 2 1 320.452 3.118 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CCN1C ZINC001307516230 1111309881 /nfs/dbraw/zinc/30/98/81/1111309881.db2.gz DVYUQQCDJDJRNK-QWHCGFSZSA-N 2 1 314.832 3.272 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001307516230 1111309883 /nfs/dbraw/zinc/30/98/83/1111309883.db2.gz DVYUQQCDJDJRNK-QWHCGFSZSA-N 2 1 314.832 3.272 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC001307516230 1111309896 /nfs/dbraw/zinc/30/98/96/1111309896.db2.gz DVYUQQCDJDJRNK-QWHCGFSZSA-N 2 1 314.832 3.272 20 0 DGADMP CCC[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564281 1111314593 /nfs/dbraw/zinc/31/45/93/1111314593.db2.gz WJNZQKDEWMHRAM-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564281 1111314596 /nfs/dbraw/zinc/31/45/96/1111314596.db2.gz WJNZQKDEWMHRAM-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307564281 1111314598 /nfs/dbraw/zinc/31/45/98/1111314598.db2.gz WJNZQKDEWMHRAM-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307564281 1111314600 /nfs/dbraw/zinc/31/46/00/1111314600.db2.gz WJNZQKDEWMHRAM-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001307724840 1111331984 /nfs/dbraw/zinc/33/19/84/1111331984.db2.gz NQCNDYHANDCJHN-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CCCc4ccc(F)cc43)C[C@@]2(C)C1 ZINC001307977429 1111362002 /nfs/dbraw/zinc/36/20/02/1111362002.db2.gz CDNGTQKTEVEIDU-GUDVDZBRSA-N 2 1 302.437 3.477 20 0 DGADMP CC(C)COc1cccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001308012021 1111366535 /nfs/dbraw/zinc/36/65/35/1111366535.db2.gz VIXYOCYAIUZHRJ-HKUYNNGSSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001308012021 1111366538 /nfs/dbraw/zinc/36/65/38/1111366538.db2.gz VIXYOCYAIUZHRJ-HKUYNNGSSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001308012021 1111366542 /nfs/dbraw/zinc/36/65/42/1111366542.db2.gz VIXYOCYAIUZHRJ-HKUYNNGSSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001308012021 1111366545 /nfs/dbraw/zinc/36/65/45/1111366545.db2.gz VIXYOCYAIUZHRJ-HKUYNNGSSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001308012021 1111366548 /nfs/dbraw/zinc/36/65/48/1111366548.db2.gz VIXYOCYAIUZHRJ-HKUYNNGSSA-N 2 1 302.462 3.247 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001308023104 1111366951 /nfs/dbraw/zinc/36/69/51/1111366951.db2.gz FNBVMEDWTAYNOR-CEXWTWQISA-N 2 1 318.505 3.251 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC001308180450 1111391963 /nfs/dbraw/zinc/39/19/63/1111391963.db2.gz HVKXXOGDAQARPU-OAHLLOKOSA-N 2 1 320.477 3.446 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCOCc1ccccc1 ZINC001308234960 1111402077 /nfs/dbraw/zinc/40/20/77/1111402077.db2.gz AOYCZCMWOHTIPJ-UHFFFAOYSA-N 2 1 313.445 3.234 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001308293936 1111412228 /nfs/dbraw/zinc/41/22/28/1111412228.db2.gz ZKERHXVBIHOZNC-ZWKOTPCHSA-N 2 1 314.473 3.407 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001308293936 1111412230 /nfs/dbraw/zinc/41/22/30/1111412230.db2.gz ZKERHXVBIHOZNC-ZWKOTPCHSA-N 2 1 314.473 3.407 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC001308389653 1111424267 /nfs/dbraw/zinc/42/42/67/1111424267.db2.gz FIBPNQAXOUEECX-IBGZPJMESA-N 2 1 309.457 3.310 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC001308564083 1111444396 /nfs/dbraw/zinc/44/43/96/1111444396.db2.gz HPYXLKNLKFNRDI-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001316773249 1111736098 /nfs/dbraw/zinc/73/60/98/1111736098.db2.gz UGTRQKPQOJVVQC-HPFMTEOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001316782504 1111766158 /nfs/dbraw/zinc/76/61/58/1111766158.db2.gz JOIDXIONEFMQAM-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001316782504 1111766165 /nfs/dbraw/zinc/76/61/65/1111766165.db2.gz JOIDXIONEFMQAM-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001316782504 1111766169 /nfs/dbraw/zinc/76/61/69/1111766169.db2.gz JOIDXIONEFMQAM-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414684153 230803538 /nfs/dbraw/zinc/80/35/38/230803538.db2.gz UXGNXMIVVCGVKN-INMHGKMJSA-N 2 1 318.461 3.229 20 0 DGADMP COCC[N@@H+](CCC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414742538 230810066 /nfs/dbraw/zinc/81/00/66/230810066.db2.gz ICBWOMPGQGNPAA-LBPRGKRZSA-N 2 1 304.356 3.064 20 0 DGADMP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000129286713 432004154 /nfs/dbraw/zinc/00/41/54/432004154.db2.gz YEISNSLTVZUZNW-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000129286713 432004156 /nfs/dbraw/zinc/00/41/56/432004156.db2.gz YEISNSLTVZUZNW-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000129286713 432004151 /nfs/dbraw/zinc/00/41/51/432004151.db2.gz YEISNSLTVZUZNW-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435725414 529453999 /nfs/dbraw/zinc/45/39/99/529453999.db2.gz GRJQAPLRTHLYON-HNNXBMFYSA-N 2 1 300.406 3.132 20 0 DGADMP CC[C@@H](CO)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000444614680 529505645 /nfs/dbraw/zinc/50/56/45/529505645.db2.gz YNUXZTYPKQVZEO-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP CCc1cccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441352279 529543176 /nfs/dbraw/zinc/54/31/76/529543176.db2.gz TZOHXFCNWRBECN-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441352279 529543178 /nfs/dbraw/zinc/54/31/78/529543178.db2.gz TZOHXFCNWRBECN-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP CCc1cccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441352279 529543180 /nfs/dbraw/zinc/54/31/80/529543180.db2.gz TZOHXFCNWRBECN-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP CCc1cccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441352279 529543182 /nfs/dbraw/zinc/54/31/82/529543182.db2.gz TZOHXFCNWRBECN-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP CCc1cc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000302049207 529556857 /nfs/dbraw/zinc/55/68/57/529556857.db2.gz MUFAGYKSCKXMOO-INIZCTEOSA-N 2 1 314.433 3.498 20 0 DGADMP CCc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000302065672 529557745 /nfs/dbraw/zinc/55/77/45/529557745.db2.gz VWXZIOWNCXMETE-GOSISDBHSA-N 2 1 324.472 3.324 20 0 DGADMP CCc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000302065672 529557749 /nfs/dbraw/zinc/55/77/49/529557749.db2.gz VWXZIOWNCXMETE-GOSISDBHSA-N 2 1 324.472 3.324 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000063467470 432005929 /nfs/dbraw/zinc/00/59/29/432005929.db2.gz QDGROAXDURMOTI-MRXNPFEDSA-N 2 1 317.477 3.340 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000063467470 432005930 /nfs/dbraw/zinc/00/59/30/432005930.db2.gz QDGROAXDURMOTI-MRXNPFEDSA-N 2 1 317.477 3.340 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000063467470 432005932 /nfs/dbraw/zinc/00/59/32/432005932.db2.gz QDGROAXDURMOTI-MRXNPFEDSA-N 2 1 317.477 3.340 20 0 DGADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229019 282259543 /nfs/dbraw/zinc/25/95/43/282259543.db2.gz OVZUUROYYKJNCM-SFHVURJKSA-N 2 1 318.509 3.125 20 0 DGADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229019 282259545 /nfs/dbraw/zinc/25/95/45/282259545.db2.gz OVZUUROYYKJNCM-SFHVURJKSA-N 2 1 318.509 3.125 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000095419148 185359743 /nfs/dbraw/zinc/35/97/43/185359743.db2.gz LIRJJQSGDOZSMO-OAHLLOKOSA-N 2 1 306.413 3.469 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+][C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000181584876 199322238 /nfs/dbraw/zinc/32/22/38/199322238.db2.gz VAWHULOTCFFNBD-GJZGRUSLSA-N 2 1 314.429 3.489 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000292725681 529802508 /nfs/dbraw/zinc/80/25/08/529802508.db2.gz FTWYKJCXKXCPHU-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000292725681 529802509 /nfs/dbraw/zinc/80/25/09/529802509.db2.gz FTWYKJCXKXCPHU-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000292725681 529802510 /nfs/dbraw/zinc/80/25/10/529802510.db2.gz FTWYKJCXKXCPHU-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000430619411 529895451 /nfs/dbraw/zinc/89/54/51/529895451.db2.gz AUHADIDUVJPEII-UHFFFAOYSA-N 2 1 316.367 3.158 20 0 DGADMP C[N@H+](Cc1cnc(-c2ccsc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435439588 530015750 /nfs/dbraw/zinc/01/57/50/530015750.db2.gz VWSYOZTZYDHDMJ-ZDUSSCGKSA-N 2 1 307.488 3.446 20 0 DGADMP C[N@@H+](Cc1cnc(-c2ccsc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435439588 530015752 /nfs/dbraw/zinc/01/57/52/530015752.db2.gz VWSYOZTZYDHDMJ-ZDUSSCGKSA-N 2 1 307.488 3.446 20 0 DGADMP CC[N@H+]1CC[C@H](Nc2ccc(N3CCCCC3)cn2)[C@H](C)C1 ZINC000130014703 432012777 /nfs/dbraw/zinc/01/27/77/432012777.db2.gz QZEDGFILOMVOFQ-WBVHZDCISA-N 2 1 302.466 3.214 20 0 DGADMP COc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000104101132 432014860 /nfs/dbraw/zinc/01/48/60/432014860.db2.gz HWHXEMZAPFUBEY-OAHLLOKOSA-N 2 1 308.491 3.191 20 0 DGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1SC ZINC000104101132 432014867 /nfs/dbraw/zinc/01/48/67/432014867.db2.gz HWHXEMZAPFUBEY-OAHLLOKOSA-N 2 1 308.491 3.191 20 0 DGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000104101132 432014870 /nfs/dbraw/zinc/01/48/70/432014870.db2.gz HWHXEMZAPFUBEY-OAHLLOKOSA-N 2 1 308.491 3.191 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272660072 210065707 /nfs/dbraw/zinc/06/57/07/210065707.db2.gz HPBXYXUICOYTHE-GSEOLPGOSA-N 2 1 316.489 3.038 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000279715847 215086019 /nfs/dbraw/zinc/08/60/19/215086019.db2.gz LNLRHMQCMPSQDV-LNLFQRSKSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000279795306 215152236 /nfs/dbraw/zinc/15/22/36/215152236.db2.gz VQSRTSNBVLIXKT-RKVPGOIHSA-N 2 1 301.434 3.193 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000287124008 219329332 /nfs/dbraw/zinc/32/93/32/219329332.db2.gz RHRMQDQJLOQMBK-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280031330 215326005 /nfs/dbraw/zinc/32/60/05/215326005.db2.gz USEVLZIBKDGQPJ-CABCVRRESA-N 2 1 320.477 3.270 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000187994238 186241218 /nfs/dbraw/zinc/24/12/18/186241218.db2.gz HGKRWZHZDMROBR-QZTJIDSGSA-N 2 1 308.441 3.103 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)c1 ZINC000194294790 186277967 /nfs/dbraw/zinc/27/79/67/186277967.db2.gz KZRKEPVJVKQAKF-HOTGVXAUSA-N 2 1 306.475 3.242 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)c1 ZINC000194294790 186277969 /nfs/dbraw/zinc/27/79/69/186277969.db2.gz KZRKEPVJVKQAKF-HOTGVXAUSA-N 2 1 306.475 3.242 20 0 DGADMP CCCCOCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268738970 186373768 /nfs/dbraw/zinc/37/37/68/186373768.db2.gz OXNNDGKQFCNUKU-UHFFFAOYSA-N 2 1 318.505 3.490 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000268756478 186380542 /nfs/dbraw/zinc/38/05/42/186380542.db2.gz XVDSNWODEBGRMH-CQSZACIVSA-N 2 1 324.465 3.095 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000280092591 215369835 /nfs/dbraw/zinc/36/98/35/215369835.db2.gz NTGIQJZBLCTYFZ-MRXNPFEDSA-N 2 1 322.493 3.175 20 0 DGADMP CC[C@H](C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)[NH+]1CCCC1 ZINC000277169335 213341953 /nfs/dbraw/zinc/34/19/53/213341953.db2.gz GRGIZYXBSVTXJU-DOTOQJQBSA-N 2 1 320.477 3.186 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-n2ccnc2)cc1 ZINC000072725169 191222653 /nfs/dbraw/zinc/22/26/53/191222653.db2.gz FCQBDDYHCCNDDI-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-n2ccnc2)cc1 ZINC000072725169 191222656 /nfs/dbraw/zinc/22/26/56/191222656.db2.gz FCQBDDYHCCNDDI-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(-n2ccnc2)cc1 ZINC000072725169 191222658 /nfs/dbraw/zinc/22/26/58/191222658.db2.gz FCQBDDYHCCNDDI-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000072965447 191259376 /nfs/dbraw/zinc/25/93/76/191259376.db2.gz DPPXLDAMGGMVQO-GGPKGHCWSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000072965447 191259378 /nfs/dbraw/zinc/25/93/78/191259378.db2.gz DPPXLDAMGGMVQO-GGPKGHCWSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000072965447 191259381 /nfs/dbraw/zinc/25/93/81/191259381.db2.gz DPPXLDAMGGMVQO-GGPKGHCWSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000072965447 191259384 /nfs/dbraw/zinc/25/93/84/191259384.db2.gz DPPXLDAMGGMVQO-GGPKGHCWSA-N 2 1 316.489 3.306 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000173386337 198209185 /nfs/dbraw/zinc/20/91/85/198209185.db2.gz YTCWJBOGJJXMSL-ZIAGYGMSSA-N 2 1 317.433 3.196 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000174628493 198361477 /nfs/dbraw/zinc/36/14/77/198361477.db2.gz OFMRLMGGFBPDJR-IEBWSBKVSA-N 2 1 315.505 3.497 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163551306 432036282 /nfs/dbraw/zinc/03/62/82/432036282.db2.gz VNCSFVOXSKTROP-QKLQHJQFSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000163551306 432036288 /nfs/dbraw/zinc/03/62/88/432036288.db2.gz VNCSFVOXSKTROP-QKLQHJQFSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163551306 432036292 /nfs/dbraw/zinc/03/62/92/432036292.db2.gz VNCSFVOXSKTROP-QKLQHJQFSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000163551306 432036296 /nfs/dbraw/zinc/03/62/96/432036296.db2.gz VNCSFVOXSKTROP-QKLQHJQFSA-N 2 1 317.521 3.347 20 0 DGADMP CC(C)Oc1cc(CN(CC[C@@H]2CCC[N@H+]2C)C2CC2)ccn1 ZINC000131643271 432042710 /nfs/dbraw/zinc/04/27/10/432042710.db2.gz HTFHIOYVCNFUKT-KRWDZBQOSA-N 2 1 317.477 3.318 20 0 DGADMP CC(C)[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000164573253 432048631 /nfs/dbraw/zinc/04/86/31/432048631.db2.gz NFVULMOGCWHQCU-INIZCTEOSA-N 2 1 317.477 3.245 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000164655103 432050174 /nfs/dbraw/zinc/05/01/74/432050174.db2.gz QWTZWMBUXILYQG-UHFFFAOYSA-N 2 1 312.461 3.230 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000132755214 432053879 /nfs/dbraw/zinc/05/38/79/432053879.db2.gz RNNRFJUWALLDIS-LBPRGKRZSA-N 2 1 304.463 3.341 20 0 DGADMP CC[C@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179324156 432053884 /nfs/dbraw/zinc/05/38/84/432053884.db2.gz HJKIHBLQGPAEMX-INIZCTEOSA-N 2 1 303.494 3.447 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000081584832 192297264 /nfs/dbraw/zinc/29/72/64/192297264.db2.gz OXGGMHPOURTCFX-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000081584832 192297266 /nfs/dbraw/zinc/29/72/66/192297266.db2.gz OXGGMHPOURTCFX-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000081584832 192297268 /nfs/dbraw/zinc/29/72/68/192297268.db2.gz OXGGMHPOURTCFX-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000236956045 202093474 /nfs/dbraw/zinc/09/34/74/202093474.db2.gz DKHJQRIMANWZBF-INIZCTEOSA-N 2 1 303.450 3.127 20 0 DGADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166573060 432061968 /nfs/dbraw/zinc/06/19/68/432061968.db2.gz IQHQSJJNTRXRGH-QZTJIDSGSA-N 2 1 311.473 3.489 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000166799556 432063367 /nfs/dbraw/zinc/06/33/67/432063367.db2.gz ADNLPKXBWJQDJM-GDBMZVCRSA-N 2 1 301.434 3.240 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000179637706 432065793 /nfs/dbraw/zinc/06/57/93/432065793.db2.gz CNIVRWNMXHVQPX-HUUCEWRRSA-N 2 1 306.450 3.147 20 0 DGADMP CCOCc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000179521145 199049585 /nfs/dbraw/zinc/04/95/85/199049585.db2.gz PVEFZCSXCPKCFW-QGZVFWFLSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000179521145 199049588 /nfs/dbraw/zinc/04/95/88/199049588.db2.gz PVEFZCSXCPKCFW-QGZVFWFLSA-N 2 1 320.477 3.005 20 0 DGADMP CCOCc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000179521145 199049589 /nfs/dbraw/zinc/04/95/89/199049589.db2.gz PVEFZCSXCPKCFW-QGZVFWFLSA-N 2 1 320.477 3.005 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180421978 199156369 /nfs/dbraw/zinc/15/63/69/199156369.db2.gz HWXWSWOAGJCMCE-UXLLHSPISA-N 2 1 317.477 3.244 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000180421978 199156371 /nfs/dbraw/zinc/15/63/71/199156371.db2.gz HWXWSWOAGJCMCE-UXLLHSPISA-N 2 1 317.477 3.244 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180446194 199160840 /nfs/dbraw/zinc/16/08/40/199160840.db2.gz CZUUIHOPULQEOL-OAGGEKHMSA-N 2 1 322.518 3.496 20 0 DGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000180393319 199154061 /nfs/dbraw/zinc/15/40/61/199154061.db2.gz FTMQZJJOFJADHQ-KRWDZBQOSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000180393319 199154063 /nfs/dbraw/zinc/15/40/63/199154063.db2.gz FTMQZJJOFJADHQ-KRWDZBQOSA-N 2 1 324.472 3.005 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1F ZINC000180577312 199178865 /nfs/dbraw/zinc/17/88/65/199178865.db2.gz MUXNWQJKIDHUGA-DNVCBOLYSA-N 2 1 320.452 3.367 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180644497 199190007 /nfs/dbraw/zinc/19/00/07/199190007.db2.gz CABFLIMDCPWDQE-XLIONFOSSA-N 2 1 324.468 3.412 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000415109355 237084945 /nfs/dbraw/zinc/08/49/45/237084945.db2.gz LRPIRKUEEKLXMK-HNNXBMFYSA-N 2 1 320.433 3.104 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000415109355 237084955 /nfs/dbraw/zinc/08/49/55/237084955.db2.gz LRPIRKUEEKLXMK-HNNXBMFYSA-N 2 1 320.433 3.104 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C1CCCC1 ZINC000415067469 237052608 /nfs/dbraw/zinc/05/26/08/237052608.db2.gz PMJNYSMVLYVLIX-AWEZNQCLSA-N 2 1 304.331 3.452 20 0 DGADMP COCc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086508 237068356 /nfs/dbraw/zinc/06/83/56/237068356.db2.gz JSQYLTDVZWKXQC-UXHICEINSA-N 2 1 310.441 3.416 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C[NH3+] ZINC000415136024 237105556 /nfs/dbraw/zinc/10/55/56/237105556.db2.gz WZIISIRWQUAHRB-SWLSCSKDSA-N 2 1 303.837 3.305 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nccnc1C ZINC000187713971 200148491 /nfs/dbraw/zinc/14/84/91/200148491.db2.gz ASXYADREZSEAIZ-MRXNPFEDSA-N 2 1 312.461 3.478 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3cc[nH]c32)C[C@H](C)O1 ZINC000237608515 202303046 /nfs/dbraw/zinc/30/30/46/202303046.db2.gz QJKIBFKFOJKPGY-IYBDPMFKSA-N 2 1 315.461 3.147 20 0 DGADMP C[C@H](C[NH2+][C@H](c1cncc(F)c1)C1CC1)C[NH+]1CCCCC1 ZINC000281101773 216078661 /nfs/dbraw/zinc/07/86/61/216078661.db2.gz BNSFODIQNZWNCC-KDOFPFPSSA-N 2 1 305.441 3.383 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C(C)C)cc32)CC1 ZINC000427878004 238004389 /nfs/dbraw/zinc/00/43/89/238004389.db2.gz ZHILKOMWDHSWPY-FQEVSTJZSA-N 2 1 316.489 3.498 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000428299839 238015271 /nfs/dbraw/zinc/01/52/71/238015271.db2.gz GGOUGMFOSVPLDS-HNNXBMFYSA-N 2 1 316.449 3.295 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000428299839 238015272 /nfs/dbraw/zinc/01/52/72/238015272.db2.gz GGOUGMFOSVPLDS-HNNXBMFYSA-N 2 1 316.449 3.295 20 0 DGADMP CC(C)(C)c1cnc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000134935010 432090388 /nfs/dbraw/zinc/09/03/88/432090388.db2.gz BTHQMPCBHKHLLP-ZBFHGGJFSA-N 2 1 317.477 3.421 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000246072635 432090886 /nfs/dbraw/zinc/09/08/86/432090886.db2.gz FDVBAUVDBYYOEM-SWLSCSKDSA-N 2 1 311.267 3.269 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432412625 238127241 /nfs/dbraw/zinc/12/72/41/238127241.db2.gz CJGKKKSCORKQOM-APWZRJJASA-N 2 1 302.462 3.073 20 0 DGADMP Cc1cccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432425426 238128398 /nfs/dbraw/zinc/12/83/98/238128398.db2.gz VFWXIEPCQVABEW-RTBURBONSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1cccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432425426 238128399 /nfs/dbraw/zinc/12/83/99/238128399.db2.gz VFWXIEPCQVABEW-RTBURBONSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)o1 ZINC000246073592 432091094 /nfs/dbraw/zinc/09/10/94/432091094.db2.gz SLLLVVCYBBGDGP-CABCVRRESA-N 2 1 320.481 3.416 20 0 DGADMP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000246073592 432091096 /nfs/dbraw/zinc/09/10/96/432091096.db2.gz SLLLVVCYBBGDGP-CABCVRRESA-N 2 1 320.481 3.416 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433170101 238149129 /nfs/dbraw/zinc/14/91/29/238149129.db2.gz ZVHFUFDJIIUBIQ-GOSISDBHSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000433170101 238149130 /nfs/dbraw/zinc/14/91/30/238149130.db2.gz ZVHFUFDJIIUBIQ-GOSISDBHSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1 ZINC000271972828 209351891 /nfs/dbraw/zinc/35/18/91/209351891.db2.gz IKIMFTVBJYNCCA-INIZCTEOSA-N 2 1 320.452 3.164 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccn1C ZINC000246079656 432093638 /nfs/dbraw/zinc/09/36/38/432093638.db2.gz ZPANXOXMKNWMQI-YRWFTTLQSA-N 2 1 311.473 3.271 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442792038 239126061 /nfs/dbraw/zinc/12/60/61/239126061.db2.gz NCKOHTXAKYVTNW-DLBZAZTESA-N 2 1 323.484 3.489 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442792038 239126068 /nfs/dbraw/zinc/12/60/68/239126068.db2.gz NCKOHTXAKYVTNW-DLBZAZTESA-N 2 1 323.484 3.489 20 0 DGADMP CC(C)(C[NH2+][C@H](c1cncc(F)c1)C1CC1)C[NH+]1CCCC1 ZINC000281565617 216388669 /nfs/dbraw/zinc/38/86/69/216388669.db2.gz KAAPTGWGHOENLS-KRWDZBQOSA-N 2 1 305.441 3.383 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000443062247 239167554 /nfs/dbraw/zinc/16/75/54/239167554.db2.gz UAXZVNTVCXTSRG-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000444625155 239307421 /nfs/dbraw/zinc/30/74/21/239307421.db2.gz HMJWWAPQSNPBHF-IBGZPJMESA-N 2 1 315.505 3.069 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271834864 209254269 /nfs/dbraw/zinc/25/42/69/209254269.db2.gz FSBKUGUUUPVGAC-SNVBAGLBSA-N 2 1 314.260 3.488 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000268547843 432102037 /nfs/dbraw/zinc/10/20/37/432102037.db2.gz MNBYVRPFUHXMEV-MSOLQXFVSA-N 2 1 302.462 3.359 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000268542324 432103599 /nfs/dbraw/zinc/10/35/99/432103599.db2.gz LEVCJRJUJAQHDB-SJORKVTESA-N 2 1 302.462 3.359 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449093721 240015137 /nfs/dbraw/zinc/01/51/37/240015137.db2.gz XJCTXMSLXPYTMS-CYBMUJFWSA-N 2 1 309.335 3.276 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449236331 240083379 /nfs/dbraw/zinc/08/33/79/240083379.db2.gz XRDMWPBBPRXBMF-RBUKOAKNSA-N 2 1 314.473 3.066 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000449233543 240082174 /nfs/dbraw/zinc/08/21/74/240082174.db2.gz MALCBIDWAMYUMT-WOJBJXKFSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cccc(CC[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000449264949 240099335 /nfs/dbraw/zinc/09/93/35/240099335.db2.gz NXEXQXRTKJWPKK-NRFANRHFSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000449264949 240099339 /nfs/dbraw/zinc/09/93/39/240099339.db2.gz NXEXQXRTKJWPKK-NRFANRHFSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000449264949 240099341 /nfs/dbraw/zinc/09/93/41/240099341.db2.gz NXEXQXRTKJWPKK-NRFANRHFSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000449264949 240099344 /nfs/dbraw/zinc/09/93/44/240099344.db2.gz NXEXQXRTKJWPKK-NRFANRHFSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000449264949 240099349 /nfs/dbraw/zinc/09/93/49/240099349.db2.gz NXEXQXRTKJWPKK-NRFANRHFSA-N 2 1 323.484 3.386 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](c2nccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325065 240132754 /nfs/dbraw/zinc/13/27/54/240132754.db2.gz JOOLCXQWAGOHOF-OLZOCXBDSA-N 2 1 305.372 3.291 20 0 DGADMP Fc1cc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000449487639 240238737 /nfs/dbraw/zinc/23/87/37/240238737.db2.gz ZRMYKLQEJKNDAR-QWHCGFSZSA-N 2 1 312.816 3.074 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000246196872 432105428 /nfs/dbraw/zinc/10/54/28/432105428.db2.gz XMRGUAQNRQPLTC-LRDDRELGSA-N 2 1 323.278 3.368 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560732 240289255 /nfs/dbraw/zinc/28/92/55/240289255.db2.gz OZTFSTOARARUPA-CIQAELJKSA-N 2 1 322.493 3.103 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)CC ZINC000449636069 240337777 /nfs/dbraw/zinc/33/77/77/240337777.db2.gz CPRSYKICPMQTDD-NOSIKRSBSA-N 2 1 316.489 3.321 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091862280 193118926 /nfs/dbraw/zinc/11/89/26/193118926.db2.gz LOZFJTDOWIVTNO-KRWDZBQOSA-N 2 1 320.452 3.291 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180980798 432110182 /nfs/dbraw/zinc/11/01/82/432110182.db2.gz OFDMLYLVYSEZEZ-CLROSIBMSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180980798 432110186 /nfs/dbraw/zinc/11/01/86/432110186.db2.gz OFDMLYLVYSEZEZ-CLROSIBMSA-N 2 1 310.869 3.488 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271788156 209215145 /nfs/dbraw/zinc/21/51/45/209215145.db2.gz MGFZDIVULXVGPS-ZDUSSCGKSA-N 2 1 317.408 3.470 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453099511 241624813 /nfs/dbraw/zinc/62/48/13/241624813.db2.gz WCMRBVNOSDUUSO-HXUWFJFHSA-N 2 1 314.473 3.187 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OCCOC)c2)CC1 ZINC000092165409 193169386 /nfs/dbraw/zinc/16/93/86/193169386.db2.gz VDKLALYHWFLRPU-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCCOC)c2)CC1 ZINC000092165409 193169388 /nfs/dbraw/zinc/16/93/88/193169388.db2.gz VDKLALYHWFLRPU-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000108428411 284061259 /nfs/dbraw/zinc/06/12/59/284061259.db2.gz RDOLLGXMUBKSAR-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000108428409 284061340 /nfs/dbraw/zinc/06/13/40/284061340.db2.gz RDOLLGXMUBKSAR-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1O ZINC000459381828 243353910 /nfs/dbraw/zinc/35/39/10/243353910.db2.gz VIDYHGRLVLZSEQ-ZBFHGGJFSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)ccc1O ZINC000459381828 243353914 /nfs/dbraw/zinc/35/39/14/243353914.db2.gz VIDYHGRLVLZSEQ-ZBFHGGJFSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1O ZINC000459381828 243353926 /nfs/dbraw/zinc/35/39/26/243353926.db2.gz VIDYHGRLVLZSEQ-ZBFHGGJFSA-N 2 1 306.450 3.096 20 0 DGADMP COc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000459485066 243386611 /nfs/dbraw/zinc/38/66/11/243386611.db2.gz PUKKDTIOLSFGNY-UHFFFAOYSA-N 2 1 314.473 3.333 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000246311291 432118345 /nfs/dbraw/zinc/11/83/45/432118345.db2.gz DSJOEAYCSSEYEZ-MDZRGWNJSA-N 2 1 304.478 3.194 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246311277 432118821 /nfs/dbraw/zinc/11/88/21/432118821.db2.gz DSJOEAYCSSEYEZ-BXWFABGCSA-N 2 1 304.478 3.194 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OCCC(C)C ZINC000469860077 244130790 /nfs/dbraw/zinc/13/07/90/244130790.db2.gz FAUTXVGPRJJJEG-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000470002593 244138234 /nfs/dbraw/zinc/13/82/34/244138234.db2.gz KFCNLEUUWDWOSQ-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000470002593 244138238 /nfs/dbraw/zinc/13/82/38/244138238.db2.gz KFCNLEUUWDWOSQ-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OC(F)(F)F)c1 ZINC000471763956 244243390 /nfs/dbraw/zinc/24/33/90/244243390.db2.gz ZSIMQDALWORDBJ-LLVKDONJSA-N 2 1 313.323 3.212 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000472295925 244296053 /nfs/dbraw/zinc/29/60/53/244296053.db2.gz SBBZBQOQHSSWNT-AZUAARDMSA-N 2 1 318.505 3.440 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000474065163 244365203 /nfs/dbraw/zinc/36/52/03/244365203.db2.gz IQDKRSYFSAHKTR-IFXJQAMLSA-N 2 1 314.473 3.492 20 0 DGADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000093482857 193258945 /nfs/dbraw/zinc/25/89/45/193258945.db2.gz MYDMOKGIXQYUPE-PKOBYXMFSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@H](O)C[C@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093482857 193258947 /nfs/dbraw/zinc/25/89/47/193258947.db2.gz MYDMOKGIXQYUPE-PKOBYXMFSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@H](O)C[C@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093482857 193258948 /nfs/dbraw/zinc/25/89/48/193258948.db2.gz MYDMOKGIXQYUPE-PKOBYXMFSA-N 2 1 318.505 3.380 20 0 DGADMP CSCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093509549 193260890 /nfs/dbraw/zinc/26/08/90/193260890.db2.gz DGPVTYLFTBPZFS-UHFFFAOYSA-N 2 1 321.534 3.012 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742064 193298696 /nfs/dbraw/zinc/29/86/96/193298696.db2.gz PQEJUWDVNUSPHE-MRXNPFEDSA-N 2 1 312.461 3.240 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742064 193298698 /nfs/dbraw/zinc/29/86/98/193298698.db2.gz PQEJUWDVNUSPHE-MRXNPFEDSA-N 2 1 312.461 3.240 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742064 193298700 /nfs/dbraw/zinc/29/87/00/193298700.db2.gz PQEJUWDVNUSPHE-MRXNPFEDSA-N 2 1 312.461 3.240 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742064 193298701 /nfs/dbraw/zinc/29/87/01/193298701.db2.gz PQEJUWDVNUSPHE-MRXNPFEDSA-N 2 1 312.461 3.240 20 0 DGADMP CC[N@@H+](Cc1cccn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818854 193312884 /nfs/dbraw/zinc/31/28/84/193312884.db2.gz GYBOVQRWWURYLJ-IBGZPJMESA-N 2 1 311.473 3.369 20 0 DGADMP CC[N@H+](Cc1cccn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818854 193312886 /nfs/dbraw/zinc/31/28/86/193312886.db2.gz GYBOVQRWWURYLJ-IBGZPJMESA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1cccn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818854 193312888 /nfs/dbraw/zinc/31/28/88/193312888.db2.gz GYBOVQRWWURYLJ-IBGZPJMESA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1cccn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818854 193312890 /nfs/dbraw/zinc/31/28/90/193312890.db2.gz GYBOVQRWWURYLJ-IBGZPJMESA-N 2 1 311.473 3.369 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093945754 193331085 /nfs/dbraw/zinc/33/10/85/193331085.db2.gz SQLHRPRNZKVSNK-OAHLLOKOSA-N 2 1 300.450 3.389 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000121232428 284191806 /nfs/dbraw/zinc/19/18/06/284191806.db2.gz WERYPHXABSVYSA-RAUXBKROSA-N 2 1 317.521 3.388 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000486956379 245004276 /nfs/dbraw/zinc/00/42/76/245004276.db2.gz NMJHILVCGFOEQY-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000486956379 245004279 /nfs/dbraw/zinc/00/42/79/245004279.db2.gz NMJHILVCGFOEQY-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911347 212026472 /nfs/dbraw/zinc/02/64/72/212026472.db2.gz NFTZQLKKUWBQRS-FFGOWVMKSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000488048117 245139048 /nfs/dbraw/zinc/13/90/48/245139048.db2.gz MYBHBDAVRXKBIB-IGKNDFSCSA-N 2 1 320.521 3.290 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000488048117 245139052 /nfs/dbraw/zinc/13/90/52/245139052.db2.gz MYBHBDAVRXKBIB-IGKNDFSCSA-N 2 1 320.521 3.290 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268706456 432122871 /nfs/dbraw/zinc/12/28/71/432122871.db2.gz IARMFGOZIYGPSL-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268706456 432122874 /nfs/dbraw/zinc/12/28/74/432122874.db2.gz IARMFGOZIYGPSL-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318699 245177187 /nfs/dbraw/zinc/17/71/87/245177187.db2.gz XVHIFVAGVFJNSU-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318699 245177190 /nfs/dbraw/zinc/17/71/90/245177190.db2.gz XVHIFVAGVFJNSU-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318699 245177193 /nfs/dbraw/zinc/17/71/93/245177193.db2.gz XVHIFVAGVFJNSU-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@H](C)C1 ZINC000488318699 245177195 /nfs/dbraw/zinc/17/71/95/245177195.db2.gz XVHIFVAGVFJNSU-ACJLOTCBSA-N 2 1 303.425 3.469 20 0 DGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124399441 284258577 /nfs/dbraw/zinc/25/85/77/284258577.db2.gz CHAKRRPQYIDREL-MOPGFXCFSA-N 2 1 309.542 3.064 20 0 DGADMP CCc1c(C)[nH+]c2ccccc2c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489895232 245358787 /nfs/dbraw/zinc/35/87/87/245358787.db2.gz KJNNWBJBYJGUPL-AWEZNQCLSA-N 2 1 306.413 3.151 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000124532195 284260709 /nfs/dbraw/zinc/26/07/09/284260709.db2.gz ONEZPIADLAQYTB-LJQANCHMSA-N 2 1 309.542 3.209 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000490050382 245376159 /nfs/dbraw/zinc/37/61/59/245376159.db2.gz YURPOLTWCPNFJU-DLBZAZTESA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000490050382 245376161 /nfs/dbraw/zinc/37/61/61/245376161.db2.gz YURPOLTWCPNFJU-DLBZAZTESA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000490050382 245376164 /nfs/dbraw/zinc/37/61/64/245376164.db2.gz YURPOLTWCPNFJU-DLBZAZTESA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000490050382 245376167 /nfs/dbraw/zinc/37/61/67/245376167.db2.gz YURPOLTWCPNFJU-DLBZAZTESA-N 2 1 310.869 3.444 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000282756362 217228475 /nfs/dbraw/zinc/22/84/75/217228475.db2.gz VMDVQWZPXWBXRG-QAPCUYQASA-N 2 1 324.896 3.098 20 0 DGADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128284459 284370118 /nfs/dbraw/zinc/37/01/18/284370118.db2.gz ZFELERYIICGMIH-OALUTQOASA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H](CCC1CCCCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128333276 284371689 /nfs/dbraw/zinc/37/16/89/284371689.db2.gz FACRVFVNXXVOAO-SFHVURJKSA-N 2 1 309.542 3.353 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000282982643 217368465 /nfs/dbraw/zinc/36/84/65/217368465.db2.gz MEQHGLACWMQDTR-LJQANCHMSA-N 2 1 314.473 3.223 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000282982643 217368466 /nfs/dbraw/zinc/36/84/66/217368466.db2.gz MEQHGLACWMQDTR-LJQANCHMSA-N 2 1 314.473 3.223 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000282998106 217377391 /nfs/dbraw/zinc/37/73/91/217377391.db2.gz NPJUBGWGMYDBOG-LJQANCHMSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000282998106 217377393 /nfs/dbraw/zinc/37/73/93/217377393.db2.gz NPJUBGWGMYDBOG-LJQANCHMSA-N 2 1 316.489 3.303 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Br)s1 ZINC000019943286 182168624 /nfs/dbraw/zinc/16/86/24/182168624.db2.gz YJANKWSGAHECRO-UHFFFAOYSA-N 2 1 305.285 3.332 20 0 DGADMP Brc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128688 182189930 /nfs/dbraw/zinc/18/99/30/182189930.db2.gz MGHXPMLAKKWSPZ-UHFFFAOYSA-N 2 1 311.267 3.415 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781994 432132302 /nfs/dbraw/zinc/13/23/02/432132302.db2.gz PZPDGBSZDZFEHO-XIRDDKMYSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781994 432132306 /nfs/dbraw/zinc/13/23/06/432132306.db2.gz PZPDGBSZDZFEHO-XIRDDKMYSA-N 2 1 316.445 3.125 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894300 246093813 /nfs/dbraw/zinc/09/38/13/246093813.db2.gz MXUVZPUAOMQKNL-WJFTUGDTSA-N 2 1 318.505 3.188 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894300 246093819 /nfs/dbraw/zinc/09/38/19/246093819.db2.gz MXUVZPUAOMQKNL-WJFTUGDTSA-N 2 1 318.505 3.188 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)CC(C)C ZINC000493916684 246096633 /nfs/dbraw/zinc/09/66/33/246096633.db2.gz MCXYBBOTIWQQMR-XWTMOSNGSA-N 2 1 308.510 3.290 20 0 DGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)CC(C)C ZINC000493916685 246096825 /nfs/dbraw/zinc/09/68/25/246096825.db2.gz MCXYBBOTIWQQMR-ZJPYXAASSA-N 2 1 308.510 3.290 20 0 DGADMP CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000494961427 246215712 /nfs/dbraw/zinc/21/57/12/246215712.db2.gz ZPRZZMVMDPZCLV-KRWDZBQOSA-N 2 1 320.452 3.388 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000495042572 246226464 /nfs/dbraw/zinc/22/64/64/246226464.db2.gz HJOMTTBUOKMANA-KCITZHQASA-N 2 1 304.478 3.330 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000495042572 246226467 /nfs/dbraw/zinc/22/64/67/246226467.db2.gz HJOMTTBUOKMANA-KCITZHQASA-N 2 1 304.478 3.330 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131596019 296229771 /nfs/dbraw/zinc/22/97/71/296229771.db2.gz HAQAQJLSDQZVJP-WOPDTQHZSA-N 2 1 302.340 3.315 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nccs1 ZINC000268805935 432139469 /nfs/dbraw/zinc/13/94/69/432139469.db2.gz KQGGWXORLMFCIE-NVXWUHKLSA-N 2 1 315.486 3.186 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268816013 432139618 /nfs/dbraw/zinc/13/96/18/432139618.db2.gz GGSKVBZMQXAQHR-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000171530009 432141687 /nfs/dbraw/zinc/14/16/87/432141687.db2.gz LDXOGSOTPKIYMR-NRFANRHFSA-N 2 1 323.484 3.052 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267888692 206320419 /nfs/dbraw/zinc/32/04/19/206320419.db2.gz SASAZRDIXLPIKH-APWZRJJASA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000267888692 206320421 /nfs/dbraw/zinc/32/04/21/206320421.db2.gz SASAZRDIXLPIKH-APWZRJJASA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn[nH]c1 ZINC000285070704 218279404 /nfs/dbraw/zinc/27/94/04/218279404.db2.gz JGFUTSLEJJTLGJ-CYJAXWMASA-N 2 1 312.461 3.217 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000285270349 218360260 /nfs/dbraw/zinc/36/02/60/218360260.db2.gz QSGNLDHKAWHMCN-FVELJTHGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422867858 296313782 /nfs/dbraw/zinc/31/37/82/296313782.db2.gz TYXPLAWRHJIFEB-AHRSYUTCSA-N 3 1 315.505 3.278 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000268898001 207067341 /nfs/dbraw/zinc/06/73/41/207067341.db2.gz QMVANFKOVSFDOQ-HOTGVXAUSA-N 2 1 302.462 3.488 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000268903347 207070369 /nfs/dbraw/zinc/07/03/69/207070369.db2.gz XEEDAASLFSNTAU-CQSZACIVSA-N 2 1 317.433 3.087 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000268975085 207136430 /nfs/dbraw/zinc/13/64/30/207136430.db2.gz NCMKIAFINKGIQV-QAPCUYQASA-N 2 1 315.486 3.186 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000096 207156055 /nfs/dbraw/zinc/15/60/55/207156055.db2.gz OUZJPTFYHQTVIC-APWZRJJASA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000096 207156060 /nfs/dbraw/zinc/15/60/60/207156060.db2.gz OUZJPTFYHQTVIC-APWZRJJASA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000096 207156063 /nfs/dbraw/zinc/15/60/63/207156063.db2.gz OUZJPTFYHQTVIC-APWZRJJASA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000096 207156067 /nfs/dbraw/zinc/15/60/67/207156067.db2.gz OUZJPTFYHQTVIC-APWZRJJASA-N 2 1 311.429 3.258 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269068878 207216661 /nfs/dbraw/zinc/21/66/61/207216661.db2.gz ZNXPURDMCXQEGN-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)CC1CC[NH+](C)CC1 ZINC000063121416 184271545 /nfs/dbraw/zinc/27/15/45/184271545.db2.gz YKYSXXBHOSGGNV-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248634175 285012956 /nfs/dbraw/zinc/01/29/56/285012956.db2.gz JKDQXJRWICXUDE-MXHNKVEKSA-N 2 1 316.489 3.433 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC000248822765 285028166 /nfs/dbraw/zinc/02/81/66/285028166.db2.gz YDXSGSPZJPUJQY-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC000248822765 285028168 /nfs/dbraw/zinc/02/81/68/285028168.db2.gz YDXSGSPZJPUJQY-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000249050612 285049731 /nfs/dbraw/zinc/04/97/31/285049731.db2.gz OFDJVSAQQXHUNJ-WMZOPIPTSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccnn1C ZINC000249059322 285051038 /nfs/dbraw/zinc/05/10/38/285051038.db2.gz ZNUOEVSZVIICFQ-JJRVBVJISA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccnn1C ZINC000249059322 285051041 /nfs/dbraw/zinc/05/10/41/285051041.db2.gz ZNUOEVSZVIICFQ-JJRVBVJISA-N 2 1 318.490 3.215 20 0 DGADMP Cc1nc(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cs1 ZINC000120125557 195101573 /nfs/dbraw/zinc/10/15/73/195101573.db2.gz YTYSKWKBOBZUPI-QGZVFWFLSA-N 2 1 321.534 3.438 20 0 DGADMP Cc1nc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cs1 ZINC000120125557 195101574 /nfs/dbraw/zinc/10/15/74/195101574.db2.gz YTYSKWKBOBZUPI-QGZVFWFLSA-N 2 1 321.534 3.438 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000269998292 208052293 /nfs/dbraw/zinc/05/22/93/208052293.db2.gz XGVBEFIHFKRMGG-VAMGGRTRSA-N 2 1 310.441 3.090 20 0 DGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cn(C)c2c1 ZINC000249170969 285061477 /nfs/dbraw/zinc/06/14/77/285061477.db2.gz BIVOCPQFJNYTDJ-JTDSTZFVSA-N 2 1 313.489 3.348 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000249295150 285067438 /nfs/dbraw/zinc/06/74/38/285067438.db2.gz QSAMOSIZIOTMQP-RTBURBONSA-N 2 1 309.542 3.303 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c2cccnc12 ZINC000337281756 253077785 /nfs/dbraw/zinc/07/77/85/253077785.db2.gz WQMJOXWSOWRLHZ-UHFFFAOYSA-N 2 1 301.409 3.292 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c2cccnc12 ZINC000337281756 253077788 /nfs/dbraw/zinc/07/77/88/253077788.db2.gz WQMJOXWSOWRLHZ-UHFFFAOYSA-N 2 1 301.409 3.292 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337444419 253117580 /nfs/dbraw/zinc/11/75/80/253117580.db2.gz ZLMFEKLUOSBATQ-UONOGXRCSA-N 2 1 301.381 3.112 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337332000 253089528 /nfs/dbraw/zinc/08/95/28/253089528.db2.gz HWLHDKSFRIFRNP-AOIWGVFYSA-N 2 1 301.478 3.429 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000337344210 253092919 /nfs/dbraw/zinc/09/29/19/253092919.db2.gz SZRGSOJMBXQVNJ-SCTDSRPQSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000337344210 253092921 /nfs/dbraw/zinc/09/29/21/253092921.db2.gz SZRGSOJMBXQVNJ-SCTDSRPQSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337652080 253154694 /nfs/dbraw/zinc/15/46/94/253154694.db2.gz DVXCVPWNFQRRMX-AHRSYUTCSA-N 2 1 316.489 3.114 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C12CCCCC2 ZINC000338013991 253210330 /nfs/dbraw/zinc/21/03/30/253210330.db2.gz PRHXTWLIFQHQPG-SJORKVTESA-N 2 1 305.466 3.299 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000337949189 253198344 /nfs/dbraw/zinc/19/83/44/253198344.db2.gz FMIJFQHLMICTTF-UHFFFAOYSA-N 2 1 306.413 3.433 20 0 DGADMP CC[C@](C)(O)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000251981790 285100526 /nfs/dbraw/zinc/10/05/26/285100526.db2.gz VLUDVFKHHWIYLZ-MOPGFXCFSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000251981790 285100531 /nfs/dbraw/zinc/10/05/31/285100531.db2.gz VLUDVFKHHWIYLZ-MOPGFXCFSA-N 2 1 304.478 3.134 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)nc(C)[nH+]1 ZINC000338001512 253208008 /nfs/dbraw/zinc/20/80/08/253208008.db2.gz XXYFQIPAQUGKPJ-ZWKOTPCHSA-N 2 1 314.477 3.231 20 0 DGADMP CC[C@](C)(O)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000251981790 285100535 /nfs/dbraw/zinc/10/05/35/285100535.db2.gz VLUDVFKHHWIYLZ-MOPGFXCFSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196929 253240861 /nfs/dbraw/zinc/24/08/61/253240861.db2.gz OCIACCTVYYBGBI-FXAWDEMLSA-N 2 1 324.472 3.082 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196929 253240862 /nfs/dbraw/zinc/24/08/62/253240862.db2.gz OCIACCTVYYBGBI-FXAWDEMLSA-N 2 1 324.472 3.082 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000338271003 253253164 /nfs/dbraw/zinc/25/31/64/253253164.db2.gz QUNWXTNHOZTWLD-QGZVFWFLSA-N 2 1 314.477 3.233 20 0 DGADMP CC(C)(O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159302428 197343982 /nfs/dbraw/zinc/34/39/82/197343982.db2.gz RSPXUZBDKYHWAM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159302428 197343984 /nfs/dbraw/zinc/34/39/84/197343984.db2.gz RSPXUZBDKYHWAM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159302428 197343985 /nfs/dbraw/zinc/34/39/85/197343985.db2.gz RSPXUZBDKYHWAM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000294652137 224144033 /nfs/dbraw/zinc/14/40/33/224144033.db2.gz QRDBXYFTFDFRNC-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290244476 285162482 /nfs/dbraw/zinc/16/24/82/285162482.db2.gz SWHYKFQLZOKVMJ-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000342858704 254065991 /nfs/dbraw/zinc/06/59/91/254065991.db2.gz GEDPXCHVIRFBBW-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000342858704 254065993 /nfs/dbraw/zinc/06/59/93/254065993.db2.gz GEDPXCHVIRFBBW-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000343586369 254164272 /nfs/dbraw/zinc/16/42/72/254164272.db2.gz QMFOFTOHOJWLDK-UHFFFAOYSA-N 2 1 317.477 3.197 20 0 DGADMP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc2c1C ZINC000344084210 254222887 /nfs/dbraw/zinc/22/28/87/254222887.db2.gz AYOPCZXNGZOWJN-HNNXBMFYSA-N 2 1 308.429 3.333 20 0 DGADMP CC(C)COc1cccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000344090301 254223546 /nfs/dbraw/zinc/22/35/46/254223546.db2.gz MBGRSOHFPMFXAR-KRWDZBQOSA-N 2 1 313.445 3.270 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344136232 254230459 /nfs/dbraw/zinc/23/04/59/254230459.db2.gz MRFIXPUKVHQNKW-QUCCMNQESA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344136232 254230461 /nfs/dbraw/zinc/23/04/61/254230461.db2.gz MRFIXPUKVHQNKW-QUCCMNQESA-N 2 1 316.489 3.182 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1(C)C ZINC000344161532 254233767 /nfs/dbraw/zinc/23/37/67/254233767.db2.gz GJLJZAJJLHNPOV-ZWKOTPCHSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344197877 254238379 /nfs/dbraw/zinc/23/83/79/254238379.db2.gz NRFAKBQCAPXRBI-HOJAQTOUSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344197877 254238381 /nfs/dbraw/zinc/23/83/81/254238381.db2.gz NRFAKBQCAPXRBI-HOJAQTOUSA-N 2 1 316.489 3.039 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC000157105148 197161709 /nfs/dbraw/zinc/16/17/09/197161709.db2.gz LTRFXSUYIYTOLI-UHFFFAOYSA-N 2 1 305.466 3.223 20 0 DGADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000344554977 254281983 /nfs/dbraw/zinc/28/19/83/254281983.db2.gz WXXOLXANTOORRU-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP C[C@H]1C[C@@H](NCc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686406 254295656 /nfs/dbraw/zinc/29/56/56/254295656.db2.gz RDBCERGDKBMPPZ-RYUDHWBXSA-N 2 1 307.488 3.444 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CCN1C ZINC000344686406 254295657 /nfs/dbraw/zinc/29/56/57/254295657.db2.gz RDBCERGDKBMPPZ-RYUDHWBXSA-N 2 1 307.488 3.444 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000345050484 254326360 /nfs/dbraw/zinc/32/63/60/254326360.db2.gz MWAIOEJYBAZSCN-WMZOPIPTSA-N 2 1 317.477 3.154 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000344691208 254296669 /nfs/dbraw/zinc/29/66/69/254296669.db2.gz XPXGNMHEVREZIJ-GDBMZVCRSA-N 2 1 306.450 3.056 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000344691208 254296671 /nfs/dbraw/zinc/29/66/71/254296671.db2.gz XPXGNMHEVREZIJ-GDBMZVCRSA-N 2 1 306.450 3.056 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000344782784 254305599 /nfs/dbraw/zinc/30/55/99/254305599.db2.gz YMKHEUNBHCVACA-DLBZAZTESA-N 2 1 302.462 3.363 20 0 DGADMP CC(C)OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156933253 197151287 /nfs/dbraw/zinc/15/12/87/197151287.db2.gz MPBIYGQRJMOODD-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156933253 197151289 /nfs/dbraw/zinc/15/12/89/197151289.db2.gz MPBIYGQRJMOODD-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156933253 197151291 /nfs/dbraw/zinc/15/12/91/197151291.db2.gz MPBIYGQRJMOODD-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156933253 197151293 /nfs/dbraw/zinc/15/12/93/197151293.db2.gz MPBIYGQRJMOODD-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OCC ZINC000345209395 254341268 /nfs/dbraw/zinc/34/12/68/254341268.db2.gz DMEWDGIPMKXQFH-LSDHHAIUSA-N 2 1 308.466 3.475 20 0 DGADMP CCn1cc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000156214743 197095768 /nfs/dbraw/zinc/09/57/68/197095768.db2.gz LQJIEWOUEXTLSW-IRXDYDNUSA-N 2 1 314.477 3.464 20 0 DGADMP CCn1cc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000156214743 197095770 /nfs/dbraw/zinc/09/57/70/197095770.db2.gz LQJIEWOUEXTLSW-IRXDYDNUSA-N 2 1 314.477 3.464 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000294779259 224216341 /nfs/dbraw/zinc/21/63/41/224216341.db2.gz KBDUVPFNJAYXKJ-SFHVURJKSA-N 2 1 301.478 3.334 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000294779259 224216344 /nfs/dbraw/zinc/21/63/44/224216344.db2.gz KBDUVPFNJAYXKJ-SFHVURJKSA-N 2 1 301.478 3.334 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000289506440 221026208 /nfs/dbraw/zinc/02/62/08/221026208.db2.gz DZFXCRPNYRJNMC-SFHVURJKSA-N 2 1 301.478 3.130 20 0 DGADMP O[C@@H](CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000289854524 221271543 /nfs/dbraw/zinc/27/15/43/221271543.db2.gz KWZDIMORLHTVDI-IHPCNDPISA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000289854524 221271544 /nfs/dbraw/zinc/27/15/44/221271544.db2.gz KWZDIMORLHTVDI-IHPCNDPISA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000289854524 221271547 /nfs/dbraw/zinc/27/15/47/221271547.db2.gz KWZDIMORLHTVDI-IHPCNDPISA-N 2 1 314.473 3.059 20 0 DGADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289895173 221299441 /nfs/dbraw/zinc/29/94/41/221299441.db2.gz WPFZOLCGBXKRQE-DFNIBXOVSA-N 2 1 314.473 3.111 20 0 DGADMP C[NH+](CCCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289895173 221299444 /nfs/dbraw/zinc/29/94/44/221299444.db2.gz WPFZOLCGBXKRQE-DFNIBXOVSA-N 2 1 314.473 3.111 20 0 DGADMP C[NH+](CCCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289895173 221299446 /nfs/dbraw/zinc/29/94/46/221299446.db2.gz WPFZOLCGBXKRQE-DFNIBXOVSA-N 2 1 314.473 3.111 20 0 DGADMP C[N@H+](Cc1ccccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC000347156925 285335728 /nfs/dbraw/zinc/33/57/28/285335728.db2.gz DHKJQMZRNDPQBL-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP C[N@@H+](Cc1ccccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC000347156925 285335737 /nfs/dbraw/zinc/33/57/37/285335737.db2.gz DHKJQMZRNDPQBL-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nccnc2C)cc1 ZINC000295065142 224413639 /nfs/dbraw/zinc/41/36/39/224413639.db2.gz ROARXYQGVOBZMQ-CQSZACIVSA-N 2 1 321.428 3.172 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCOC2CCCCC2)s1 ZINC000352243246 285352704 /nfs/dbraw/zinc/35/27/04/285352704.db2.gz ZLZWIYWQQVOHIW-UHFFFAOYSA-N 2 1 311.495 3.034 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535507 285353863 /nfs/dbraw/zinc/35/38/63/285353863.db2.gz RMXRZPZUICZKNV-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535507 285353868 /nfs/dbraw/zinc/35/38/68/285353868.db2.gz RMXRZPZUICZKNV-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539771 285355442 /nfs/dbraw/zinc/35/54/42/285355442.db2.gz CNMYLUICJDXUKW-GOSISDBHSA-N 2 1 313.470 3.386 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539771 285355443 /nfs/dbraw/zinc/35/54/43/285355443.db2.gz CNMYLUICJDXUKW-GOSISDBHSA-N 2 1 313.470 3.386 20 0 DGADMP Clc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000352540689 285355490 /nfs/dbraw/zinc/35/54/90/285355490.db2.gz OGAKFBNGZICXHZ-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000352540689 285355492 /nfs/dbraw/zinc/35/54/92/285355492.db2.gz OGAKFBNGZICXHZ-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000122086959 195399434 /nfs/dbraw/zinc/39/94/34/195399434.db2.gz ZZAVZUICEYPLLV-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000294864099 533375982 /nfs/dbraw/zinc/37/59/82/533375982.db2.gz DFHPDRCHMDNEMK-UXHICEINSA-N 2 1 316.489 3.194 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415079347 533499865 /nfs/dbraw/zinc/49/98/65/533499865.db2.gz JXXIPLSKHAQUAZ-QUCCMNQESA-N 2 1 310.441 3.321 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1OC1CCCC1 ZINC000415082662 533513373 /nfs/dbraw/zinc/51/33/73/533513373.db2.gz DMYLGQVZNFUVAK-HNNXBMFYSA-N 2 1 318.461 3.106 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1F ZINC000423390912 533546661 /nfs/dbraw/zinc/54/66/61/533546661.db2.gz WMEBCJXGDIUDKP-FOGDFJRCSA-N 2 1 315.230 3.379 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cs1 ZINC000423390125 533547172 /nfs/dbraw/zinc/54/71/72/533547172.db2.gz VUADAUVOCKIDQG-KKZNHRDASA-N 2 1 303.269 3.302 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc12 ZINC000292770118 533570770 /nfs/dbraw/zinc/57/07/70/533570770.db2.gz KHYDPQUDWKSEQV-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc12 ZINC000292770118 533570773 /nfs/dbraw/zinc/57/07/73/533570773.db2.gz KHYDPQUDWKSEQV-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc12 ZINC000292770118 533570775 /nfs/dbraw/zinc/57/07/75/533570775.db2.gz KHYDPQUDWKSEQV-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP c1ccc2c(c1)C1C[C@@H](C[NH2+][C@@H]3CC[NH2+]C3)C2c2ccccc21 ZINC000415099248 285497417 /nfs/dbraw/zinc/49/74/17/285497417.db2.gz GNKJXJMODQWHMB-HCJULVCFSA-N 2 1 304.437 3.235 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975133 400085936 /nfs/dbraw/zinc/08/59/36/400085936.db2.gz CFNXDWHKCALNTH-CWHQUEMWSA-N 2 1 324.509 3.205 20 0 DGADMP CC1CCC(O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000303119189 400104515 /nfs/dbraw/zinc/10/45/15/400104515.db2.gz ZHJZRBXTVOEWIJ-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP O[C@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000091306322 400112252 /nfs/dbraw/zinc/11/22/52/400112252.db2.gz VOOQUTAUMLFZKY-APWZRJJASA-N 2 1 320.452 3.103 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500469 400080251 /nfs/dbraw/zinc/08/02/51/400080251.db2.gz SVQDQTTZOVMMOW-GTAWCEEGSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500469 400080254 /nfs/dbraw/zinc/08/02/54/400080254.db2.gz SVQDQTTZOVMMOW-GTAWCEEGSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000608500469 400080256 /nfs/dbraw/zinc/08/02/56/400080256.db2.gz SVQDQTTZOVMMOW-GTAWCEEGSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000608500469 400080259 /nfs/dbraw/zinc/08/02/59/400080259.db2.gz SVQDQTTZOVMMOW-GTAWCEEGSA-N 2 1 316.489 3.132 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007662 400162345 /nfs/dbraw/zinc/16/23/45/400162345.db2.gz VCYYXXRCEZGOBI-GJZGRUSLSA-N 2 1 306.450 3.055 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007662 400162348 /nfs/dbraw/zinc/16/23/48/400162348.db2.gz VCYYXXRCEZGOBI-GJZGRUSLSA-N 2 1 306.450 3.055 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443797 400321847 /nfs/dbraw/zinc/32/18/47/400321847.db2.gz PQBBHCUDZAXGOC-HNNXBMFYSA-N 2 1 301.434 3.406 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443793 400322349 /nfs/dbraw/zinc/32/23/49/400322349.db2.gz PQBBHCUDZAXGOC-OAHLLOKOSA-N 2 1 301.434 3.406 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000400684272 400290073 /nfs/dbraw/zinc/29/00/73/400290073.db2.gz XFFXHWPCFRHTNP-MOPGFXCFSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000400684272 400290078 /nfs/dbraw/zinc/29/00/78/400290078.db2.gz XFFXHWPCFRHTNP-MOPGFXCFSA-N 2 1 316.489 3.303 20 0 DGADMP CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000590777446 400432951 /nfs/dbraw/zinc/43/29/51/400432951.db2.gz HAKXTBSLQTVVIO-KURKYZTESA-N 2 1 304.503 3.382 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602668097 400531337 /nfs/dbraw/zinc/53/13/37/400531337.db2.gz TUAQBMLLJAGDPB-NXHRZFHOSA-N 2 1 318.461 3.142 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602668097 400531342 /nfs/dbraw/zinc/53/13/42/400531342.db2.gz TUAQBMLLJAGDPB-NXHRZFHOSA-N 2 1 318.461 3.142 20 0 DGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597026189 400541686 /nfs/dbraw/zinc/54/16/86/400541686.db2.gz FEEYIKDDFSFYEP-WBVHZDCISA-N 2 1 316.474 3.373 20 0 DGADMP CCSCC[C@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000597025743 400542021 /nfs/dbraw/zinc/54/20/21/400542021.db2.gz CILFCLKYJIMFHN-AWEZNQCLSA-N 2 1 304.463 3.231 20 0 DGADMP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597026187 400542285 /nfs/dbraw/zinc/54/22/85/400542285.db2.gz FEEYIKDDFSFYEP-RDJZCZTQSA-N 2 1 316.474 3.373 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000591869294 400568362 /nfs/dbraw/zinc/56/83/62/400568362.db2.gz OTNZBDDVIIAMBB-CQSZACIVSA-N 2 1 307.344 3.322 20 0 DGADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(N(C)C)n1)c1ccsc1 ZINC000077189569 400693346 /nfs/dbraw/zinc/69/33/46/400693346.db2.gz ZTNAWXJUMOMACK-AWEZNQCLSA-N 2 1 319.478 3.099 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000171304322 400795644 /nfs/dbraw/zinc/79/56/44/400795644.db2.gz BSAHSUMROUODOH-IYBDPMFKSA-N 2 1 320.452 3.147 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614254012 400864211 /nfs/dbraw/zinc/86/42/11/400864211.db2.gz BUAAKBDQJGUZRF-GASCZTMLSA-N 2 1 324.428 3.058 20 0 DGADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960890 400912632 /nfs/dbraw/zinc/91/26/32/400912632.db2.gz PJFTWNNLEDYPHI-IRXDYDNUSA-N 2 1 318.461 3.143 20 0 DGADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960890 400912636 /nfs/dbraw/zinc/91/26/36/400912636.db2.gz PJFTWNNLEDYPHI-IRXDYDNUSA-N 2 1 318.461 3.143 20 0 DGADMP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000629653374 401021082 /nfs/dbraw/zinc/02/10/82/401021082.db2.gz IPJLOCYDHVEVSU-PMACEKPBSA-N 2 1 311.473 3.197 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629652464 401017384 /nfs/dbraw/zinc/01/73/84/401017384.db2.gz BUFHHDDTQUADAA-VQTJNVASSA-N 2 1 314.473 3.005 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000629534383 400963834 /nfs/dbraw/zinc/96/38/34/400963834.db2.gz XXBGBMVXDFFKLU-LPHOPBHVSA-N 2 1 301.478 3.477 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563830 400976931 /nfs/dbraw/zinc/97/69/31/400976931.db2.gz GDNREKPZOHPLAT-LSDHHAIUSA-N 2 1 300.368 3.263 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CO2 ZINC000629652793 401018578 /nfs/dbraw/zinc/01/85/78/401018578.db2.gz CWEYFMQUEUJWGD-MOPGFXCFSA-N 2 1 312.457 3.174 20 0 DGADMP CSC[C@@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1CSC ZINC000246752166 401035644 /nfs/dbraw/zinc/03/56/44/401035644.db2.gz HGIZCSVRGOHWJS-PIGHNIFASA-N 2 1 314.564 3.197 20 0 DGADMP CSC[C@H]1CCC[N@H+]1C/C=C\C[NH+]1CCC[C@H]1CSC ZINC000255042128 401102024 /nfs/dbraw/zinc/10/20/24/401102024.db2.gz HGIZCSVRGOHWJS-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP CSC[C@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1CSC ZINC000255042128 401102026 /nfs/dbraw/zinc/10/20/26/401102026.db2.gz HGIZCSVRGOHWJS-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP CSC[C@H]1CCC[NH+]1C/C=C\C[N@H+]1CCC[C@H]1CSC ZINC000255042128 401102028 /nfs/dbraw/zinc/10/20/28/401102028.db2.gz HGIZCSVRGOHWJS-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223223 286002050 /nfs/dbraw/zinc/00/20/50/286002050.db2.gz AHHGTMDHMVMXDJ-OXQOHEQNSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223223 286002053 /nfs/dbraw/zinc/00/20/53/286002053.db2.gz AHHGTMDHMVMXDJ-OXQOHEQNSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000358247919 286010108 /nfs/dbraw/zinc/01/01/08/286010108.db2.gz FWHMECXXXHDQCO-DBVUQKKJSA-N 2 1 324.472 3.209 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000358247919 286010109 /nfs/dbraw/zinc/01/01/09/286010109.db2.gz FWHMECXXXHDQCO-DBVUQKKJSA-N 2 1 324.472 3.209 20 0 DGADMP CCCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000621370862 401189668 /nfs/dbraw/zinc/18/96/68/401189668.db2.gz SYVUOPJPXSDORH-OAHLLOKOSA-N 2 1 308.491 3.044 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089543209 401225245 /nfs/dbraw/zinc/22/52/45/401225245.db2.gz FFNCAQNLTSOEBH-LSDHHAIUSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089543209 401225250 /nfs/dbraw/zinc/22/52/50/401225250.db2.gz FFNCAQNLTSOEBH-LSDHHAIUSA-N 2 1 310.388 3.047 20 0 DGADMP FC1(F)CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000625773019 401211011 /nfs/dbraw/zinc/21/10/11/401211011.db2.gz VFNYLHMXVDGPLB-UHFFFAOYSA-N 2 1 324.415 3.140 20 0 DGADMP FC1(F)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000625773019 401211018 /nfs/dbraw/zinc/21/10/18/401211018.db2.gz VFNYLHMXVDGPLB-UHFFFAOYSA-N 2 1 324.415 3.140 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[C@@H](C)CO)cc1 ZINC000358366720 286042999 /nfs/dbraw/zinc/04/29/99/286042999.db2.gz JFYRRFFEGUTHRK-HUUCEWRRSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[C@H](C)CO)cc1 ZINC000358366723 286043052 /nfs/dbraw/zinc/04/30/52/286043052.db2.gz JFYRRFFEGUTHRK-LSDHHAIUSA-N 2 1 301.434 3.240 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000358348614 286038747 /nfs/dbraw/zinc/03/87/47/286038747.db2.gz CMQFQGUQFWKOEM-ZBFHGGJFSA-N 2 1 318.452 3.291 20 0 DGADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000358349497 286039137 /nfs/dbraw/zinc/03/91/37/286039137.db2.gz CPOUCBZQIRGLBF-ZDUSSCGKSA-N 2 1 317.260 3.446 20 0 DGADMP Cn1c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc2cc(Cl)ccc21 ZINC000634732350 401340728 /nfs/dbraw/zinc/34/07/28/401340728.db2.gz DLVXHULWJBVZSN-ZDUSSCGKSA-N 2 1 320.868 3.095 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634952678 401387420 /nfs/dbraw/zinc/38/74/20/401387420.db2.gz GEWONTMDLHNPQN-INIZCTEOSA-N 2 1 312.461 3.232 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000634996292 401397570 /nfs/dbraw/zinc/39/75/70/401397570.db2.gz FWROXSWFUVCLOJ-BFYDXBDKSA-N 2 1 324.472 3.136 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nc2ccccc2n1C ZINC000635010002 401402633 /nfs/dbraw/zinc/40/26/33/401402633.db2.gz IPUSDIVOUPODQZ-KGLIPLIRSA-N 2 1 300.450 3.002 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000635012865 401403622 /nfs/dbraw/zinc/40/36/22/401403622.db2.gz WKYPNSHXYCQZSL-HOTGVXAUSA-N 2 1 304.482 3.399 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)c12 ZINC000623347723 401496649 /nfs/dbraw/zinc/49/66/49/401496649.db2.gz IQEBBRUCGFYKPK-UHFFFAOYSA-N 2 1 320.440 3.101 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)c12 ZINC000623347723 401496653 /nfs/dbraw/zinc/49/66/53/401496653.db2.gz IQEBBRUCGFYKPK-UHFFFAOYSA-N 2 1 320.440 3.101 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623358880 401499928 /nfs/dbraw/zinc/49/99/28/401499928.db2.gz XDOSOHCRLXQROK-IYBDPMFKSA-N 2 1 314.477 3.411 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631571028 401501478 /nfs/dbraw/zinc/50/14/78/401501478.db2.gz WTWWYNLDOQXVPW-OWSLCNJRSA-N 2 1 306.494 3.188 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000631636967 401520809 /nfs/dbraw/zinc/52/08/09/401520809.db2.gz JBOOKZBIQALVIW-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647822 401523349 /nfs/dbraw/zinc/52/33/49/401523349.db2.gz INRDZXIOXUINNG-VJANTYMQSA-N 2 1 318.505 3.046 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000631663759 401528593 /nfs/dbraw/zinc/52/85/93/401528593.db2.gz LBXPEQSKXXMDPV-UMGGQSCQSA-N 2 1 316.489 3.159 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1SC ZINC000623655630 401562634 /nfs/dbraw/zinc/56/26/34/401562634.db2.gz APYNMABKKVXDDN-OAHLLOKOSA-N 2 1 308.491 3.239 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000628281128 401567090 /nfs/dbraw/zinc/56/70/90/401567090.db2.gz BZTNJJUPTCDWBF-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000628281128 401567091 /nfs/dbraw/zinc/56/70/91/401567091.db2.gz BZTNJJUPTCDWBF-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1Cl ZINC000628281128 401567092 /nfs/dbraw/zinc/56/70/92/401567092.db2.gz BZTNJJUPTCDWBF-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1Cl ZINC000628281128 401567093 /nfs/dbraw/zinc/56/70/93/401567093.db2.gz BZTNJJUPTCDWBF-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1F ZINC000628425871 401595881 /nfs/dbraw/zinc/59/58/81/401595881.db2.gz YHUXKXYVJRVIIR-NVXWUHKLSA-N 2 1 322.468 3.334 20 0 DGADMP Cc1ccc([C@H](C)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000628191045 401546544 /nfs/dbraw/zinc/54/65/44/401546544.db2.gz XUQMOUOGFBOQBN-BTHPGYMESA-N 2 1 316.489 3.282 20 0 DGADMP Cc1ccc([C@@H](C)C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000628252972 401561422 /nfs/dbraw/zinc/56/14/22/401561422.db2.gz PHOIFLWIXFHHGS-ROUUACIJSA-N 2 1 304.478 3.189 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000623646437 401561515 /nfs/dbraw/zinc/56/15/15/401561515.db2.gz GNIBGJYUXNLNEO-HXUWFJFHSA-N 2 1 318.505 3.080 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119465 401627971 /nfs/dbraw/zinc/62/79/71/401627971.db2.gz BTJVIHVVYSJTRW-NVXWUHKLSA-N 2 1 318.461 3.058 20 0 DGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120949 401628484 /nfs/dbraw/zinc/62/84/84/401628484.db2.gz KOQHPXZKXSCUFR-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120949 401628485 /nfs/dbraw/zinc/62/84/85/401628485.db2.gz KOQHPXZKXSCUFR-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120949 401628486 /nfs/dbraw/zinc/62/84/86/401628486.db2.gz KOQHPXZKXSCUFR-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000624119601 401628545 /nfs/dbraw/zinc/62/85/45/401628545.db2.gz FVOAHIDEWFBQRH-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121396 401629074 /nfs/dbraw/zinc/62/90/74/401629074.db2.gz VGQWHHPOHCMRFC-HBFSDRIKSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCCC[N@H+](C)C3)CC2)C1 ZINC000624121396 401629076 /nfs/dbraw/zinc/62/90/76/401629076.db2.gz VGQWHHPOHCMRFC-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121396 401629077 /nfs/dbraw/zinc/62/90/77/401629077.db2.gz VGQWHHPOHCMRFC-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123173 401629430 /nfs/dbraw/zinc/62/94/30/401629430.db2.gz HDXKRCATMACIHB-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123173 401629431 /nfs/dbraw/zinc/62/94/31/401629431.db2.gz HDXKRCATMACIHB-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123173 401629432 /nfs/dbraw/zinc/62/94/32/401629432.db2.gz HDXKRCATMACIHB-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1C(C)(C)C ZINC000624123729 401629802 /nfs/dbraw/zinc/62/98/02/401629802.db2.gz ROKTYZQINRXGQZ-HOCLYGCPSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000624123729 401629803 /nfs/dbraw/zinc/62/98/03/401629803.db2.gz ROKTYZQINRXGQZ-HOCLYGCPSA-N 2 1 306.498 3.329 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358691717 286125394 /nfs/dbraw/zinc/12/53/94/286125394.db2.gz YBUSXDJAPOHMFW-NLWGTHIKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358691717 286125396 /nfs/dbraw/zinc/12/53/96/286125396.db2.gz YBUSXDJAPOHMFW-NLWGTHIKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358691717 286125397 /nfs/dbraw/zinc/12/53/97/286125397.db2.gz YBUSXDJAPOHMFW-NLWGTHIKSA-N 2 1 317.521 3.359 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358672182 286120997 /nfs/dbraw/zinc/12/09/97/286120997.db2.gz DPVJXSMWJQFMDK-FUHWJXTLSA-N 2 1 304.478 3.180 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358672182 286120999 /nfs/dbraw/zinc/12/09/99/286120999.db2.gz DPVJXSMWJQFMDK-FUHWJXTLSA-N 2 1 304.478 3.180 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715065 286131274 /nfs/dbraw/zinc/13/12/74/286131274.db2.gz MHSFPEIZVLXNOJ-NZSAHSFTSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715065 286131275 /nfs/dbraw/zinc/13/12/75/286131275.db2.gz MHSFPEIZVLXNOJ-NZSAHSFTSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000358835804 286165352 /nfs/dbraw/zinc/16/53/52/286165352.db2.gz VKSCZEUJPGPAFK-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000358835804 286165355 /nfs/dbraw/zinc/16/53/55/286165355.db2.gz VKSCZEUJPGPAFK-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc(OC)c1OC ZINC000423188447 286247003 /nfs/dbraw/zinc/24/70/03/286247003.db2.gz ZEYPEYWVUHAPKX-ZDUSSCGKSA-N 2 1 322.449 3.025 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359222665 286263903 /nfs/dbraw/zinc/26/39/03/286263903.db2.gz QARPZDZHYZFVDM-SFHVURJKSA-N 2 1 302.462 3.092 20 0 DGADMP COCCCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836141 292320708 /nfs/dbraw/zinc/32/07/08/292320708.db2.gz HYAYYMFUTDPJFN-OALUTQOASA-N 2 1 304.478 3.085 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414844861 287014299 /nfs/dbraw/zinc/01/42/99/287014299.db2.gz DDKQFCMUAVOBMN-MTNOOBJLSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)s1 ZINC000268852981 287022965 /nfs/dbraw/zinc/02/29/65/287022965.db2.gz CNPFGZDKAOIJDT-OLZOCXBDSA-N 2 1 316.898 3.289 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C(C)(C)C ZINC000364955052 287079340 /nfs/dbraw/zinc/07/93/40/287079340.db2.gz PLHLRTWQIRJHHZ-BPUTZDHNSA-N 2 1 304.482 3.224 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C(C)(C)C ZINC000364955052 287079342 /nfs/dbraw/zinc/07/93/42/287079342.db2.gz PLHLRTWQIRJHHZ-BPUTZDHNSA-N 2 1 304.482 3.224 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C(C)(C)C ZINC000364955054 287079507 /nfs/dbraw/zinc/07/95/07/287079507.db2.gz PLHLRTWQIRJHHZ-IMJJTQAJSA-N 2 1 304.482 3.224 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C(C)(C)C ZINC000364955054 287079508 /nfs/dbraw/zinc/07/95/08/287079508.db2.gz PLHLRTWQIRJHHZ-IMJJTQAJSA-N 2 1 304.482 3.224 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2cccs2)CC1 ZINC000191450016 165251026 /nfs/dbraw/zinc/25/10/26/165251026.db2.gz IMVLMHUDGXZXLS-MRXNPFEDSA-N 2 1 309.523 3.157 20 0 DGADMP CC[NH+](CC)CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191520337 165257048 /nfs/dbraw/zinc/25/70/48/165257048.db2.gz KQWFZVOMJNSFDZ-FQEVSTJZSA-N 2 1 317.521 3.172 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000191589914 165259059 /nfs/dbraw/zinc/25/90/59/165259059.db2.gz DCTJIXZSCPHRDE-QGZVFWFLSA-N 2 1 318.509 3.280 20 0 DGADMP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000192664947 165300621 /nfs/dbraw/zinc/30/06/21/165300621.db2.gz FZTUFVPDIGPSDZ-FBVQUNGASA-N 2 1 321.534 3.346 20 0 DGADMP CCN(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000192664947 165300623 /nfs/dbraw/zinc/30/06/23/165300623.db2.gz FZTUFVPDIGPSDZ-FBVQUNGASA-N 2 1 321.534 3.346 20 0 DGADMP CCN(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000192664947 165300625 /nfs/dbraw/zinc/30/06/25/165300625.db2.gz FZTUFVPDIGPSDZ-FBVQUNGASA-N 2 1 321.534 3.346 20 0 DGADMP Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc(C)[nH+]1 ZINC000192808815 165305677 /nfs/dbraw/zinc/30/56/77/165305677.db2.gz UJQBWVUWRCGURF-UHFFFAOYSA-N 2 1 310.445 3.212 20 0 DGADMP COC[C@@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000365250655 287114063 /nfs/dbraw/zinc/11/40/63/287114063.db2.gz ALJXYAJWSGECES-QGZVFWFLSA-N 2 1 313.445 3.429 20 0 DGADMP COc1ccc(Cl)c(CN2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000365256852 287114974 /nfs/dbraw/zinc/11/49/74/287114974.db2.gz PFTQEWWRIDQTIF-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000219685917 165379359 /nfs/dbraw/zinc/37/93/59/165379359.db2.gz JGODGIIREFCYSI-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000219685917 165379363 /nfs/dbraw/zinc/37/93/63/165379363.db2.gz JGODGIIREFCYSI-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764474 165745575 /nfs/dbraw/zinc/74/55/75/165745575.db2.gz DGLNECLPRCIDAE-OCCSQVGLSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764474 165745581 /nfs/dbraw/zinc/74/55/81/165745581.db2.gz DGLNECLPRCIDAE-OCCSQVGLSA-N 2 1 308.853 3.298 20 0 DGADMP COC[C@]1(CNc2cc[nH+]c3cc(Cl)ccc23)CCC[NH2+]1 ZINC000261811215 165751060 /nfs/dbraw/zinc/75/10/60/165751060.db2.gz ZTMVMBZFDCXWTK-MRXNPFEDSA-N 2 1 305.809 3.069 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000262418047 165802146 /nfs/dbraw/zinc/80/21/46/165802146.db2.gz DSSUFVQWFXPAPI-XIRDDKMYSA-N 2 1 313.470 3.288 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000262418047 165802149 /nfs/dbraw/zinc/80/21/49/165802149.db2.gz DSSUFVQWFXPAPI-XIRDDKMYSA-N 2 1 313.470 3.288 20 0 DGADMP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365676913 287161672 /nfs/dbraw/zinc/16/16/72/287161672.db2.gz KNCKJAUWNQRLSE-DZGCQCFKSA-N 2 1 309.369 3.437 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000365794010 287172606 /nfs/dbraw/zinc/17/26/06/287172606.db2.gz HRIOJSDEIKUASD-HMQMGEFJSA-N 2 1 302.466 3.056 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000365794010 287172607 /nfs/dbraw/zinc/17/26/07/287172607.db2.gz HRIOJSDEIKUASD-HMQMGEFJSA-N 2 1 302.466 3.056 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129319593 196039363 /nfs/dbraw/zinc/03/93/63/196039363.db2.gz SGLQURSJTNWJKX-OCCSQVGLSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129319593 196039365 /nfs/dbraw/zinc/03/93/65/196039365.db2.gz SGLQURSJTNWJKX-OCCSQVGLSA-N 2 1 316.367 3.058 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c(OC)c1 ZINC000246677382 432152965 /nfs/dbraw/zinc/15/29/65/432152965.db2.gz FXSFDKFBBKHONA-QAPCUYQASA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c(OC)c1 ZINC000246677382 432152974 /nfs/dbraw/zinc/15/29/74/432152974.db2.gz FXSFDKFBBKHONA-QAPCUYQASA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000246677382 432152977 /nfs/dbraw/zinc/15/29/77/432152977.db2.gz FXSFDKFBBKHONA-QAPCUYQASA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c(OC)c1 ZINC000246677382 432152979 /nfs/dbraw/zinc/15/29/79/432152979.db2.gz FXSFDKFBBKHONA-QAPCUYQASA-N 2 1 318.461 3.325 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181986706 432154171 /nfs/dbraw/zinc/15/41/71/432154171.db2.gz VUWPZKNOFOVUPD-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246701736 432155616 /nfs/dbraw/zinc/15/56/16/432155616.db2.gz ZKMJKMNSVLCSAX-RHSMWYFYSA-N 2 1 303.475 3.259 20 0 DGADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246701736 432155618 /nfs/dbraw/zinc/15/56/18/432155618.db2.gz ZKMJKMNSVLCSAX-RHSMWYFYSA-N 2 1 303.475 3.259 20 0 DGADMP CC(C)(C)OC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000182226013 432167670 /nfs/dbraw/zinc/16/76/70/432167670.db2.gz WQYITMRFEBLMGF-NVXWUHKLSA-N 2 1 322.493 3.057 20 0 DGADMP CC(C)(C)OC(=O)CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182226013 432167672 /nfs/dbraw/zinc/16/76/72/432167672.db2.gz WQYITMRFEBLMGF-NVXWUHKLSA-N 2 1 322.493 3.057 20 0 DGADMP CC(C)(C)OC(=O)CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182226013 432167675 /nfs/dbraw/zinc/16/76/75/432167675.db2.gz WQYITMRFEBLMGF-NVXWUHKLSA-N 2 1 322.493 3.057 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC[N@@H+]1C ZINC000246947576 432182444 /nfs/dbraw/zinc/18/24/44/432182444.db2.gz SISQIRRKMKXMEO-PSBWJHGTSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC[N@H+]1C ZINC000246947576 432182448 /nfs/dbraw/zinc/18/24/48/432182448.db2.gz SISQIRRKMKXMEO-PSBWJHGTSA-N 2 1 302.462 3.227 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000190714915 432183923 /nfs/dbraw/zinc/18/39/23/432183923.db2.gz NOUBAGWYZCBTFZ-UHFFFAOYSA-N 2 1 300.446 3.192 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000247028846 432194147 /nfs/dbraw/zinc/19/41/47/432194147.db2.gz VHKQVOHCLKORIV-GUDVDZBRSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000247060901 432197358 /nfs/dbraw/zinc/19/73/58/432197358.db2.gz VLRNZUHLVSFXDO-PMACEKPBSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247060901 432197360 /nfs/dbraw/zinc/19/73/60/432197360.db2.gz VLRNZUHLVSFXDO-PMACEKPBSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247060901 432197364 /nfs/dbraw/zinc/19/73/64/432197364.db2.gz VLRNZUHLVSFXDO-PMACEKPBSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000247060901 432197368 /nfs/dbraw/zinc/19/73/68/432197368.db2.gz VLRNZUHLVSFXDO-PMACEKPBSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000247060901 432197372 /nfs/dbraw/zinc/19/73/72/432197372.db2.gz VLRNZUHLVSFXDO-PMACEKPBSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247060901 432197376 /nfs/dbraw/zinc/19/73/76/432197376.db2.gz VLRNZUHLVSFXDO-PMACEKPBSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247060901 432197380 /nfs/dbraw/zinc/19/73/80/432197380.db2.gz VLRNZUHLVSFXDO-PMACEKPBSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000247092820 432201902 /nfs/dbraw/zinc/20/19/02/432201902.db2.gz WNLUBZWLHABIOS-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000247092820 432201906 /nfs/dbraw/zinc/20/19/06/432201906.db2.gz WNLUBZWLHABIOS-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000247092820 432201911 /nfs/dbraw/zinc/20/19/11/432201911.db2.gz WNLUBZWLHABIOS-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000247092820 432201915 /nfs/dbraw/zinc/20/19/15/432201915.db2.gz WNLUBZWLHABIOS-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000190941677 432202948 /nfs/dbraw/zinc/20/29/48/432202948.db2.gz RPPMCPKDUQKNJW-ZWKOTPCHSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1(C)CC1 ZINC000247123578 432203435 /nfs/dbraw/zinc/20/34/35/432203435.db2.gz RGMMNHCWZLWNJY-HKUYNNGSSA-N 2 1 315.505 3.143 20 0 DGADMP COCc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)o1 ZINC000130864118 196117879 /nfs/dbraw/zinc/11/78/79/196117879.db2.gz HRBIWSYSJMWILC-MRXNPFEDSA-N 2 1 303.406 3.158 20 0 DGADMP COCc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)o1 ZINC000130864118 196117880 /nfs/dbraw/zinc/11/78/80/196117880.db2.gz HRBIWSYSJMWILC-MRXNPFEDSA-N 2 1 303.406 3.158 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000131405682 196165732 /nfs/dbraw/zinc/16/57/32/196165732.db2.gz SRNRLBQDBHFOTG-AWEZNQCLSA-N 2 1 317.477 3.299 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C ZINC000247183341 432210061 /nfs/dbraw/zinc/21/00/61/432210061.db2.gz VHLHDVGAHYAHQG-JKSUJKDBSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C ZINC000247183341 432210064 /nfs/dbraw/zinc/21/00/64/432210064.db2.gz VHLHDVGAHYAHQG-JKSUJKDBSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000247208289 432211370 /nfs/dbraw/zinc/21/13/70/432211370.db2.gz WVQWJHZJVHXVTG-IXDOHACOSA-N 2 1 306.498 3.483 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000247208289 432211377 /nfs/dbraw/zinc/21/13/77/432211377.db2.gz WVQWJHZJVHXVTG-IXDOHACOSA-N 2 1 306.498 3.483 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000247211061 432211404 /nfs/dbraw/zinc/21/14/04/432211404.db2.gz WYQBRAZIBZDIOC-YRXWBPOGSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000247211061 432211406 /nfs/dbraw/zinc/21/14/06/432211406.db2.gz WYQBRAZIBZDIOC-YRXWBPOGSA-N 2 1 309.542 3.064 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000247207282 432211667 /nfs/dbraw/zinc/21/16/67/432211667.db2.gz WROJVKIZOLLBFL-HZPDHXFCSA-N 2 1 320.477 3.395 20 0 DGADMP Fc1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269928043 432222695 /nfs/dbraw/zinc/22/26/95/432222695.db2.gz CKPXGJHMTYRZFW-HOTGVXAUSA-N 2 1 301.409 3.066 20 0 DGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000269925834 432223021 /nfs/dbraw/zinc/22/30/21/432223021.db2.gz BUMOKAXVVMSRCE-CHWSQXEVSA-N 2 1 314.351 3.144 20 0 DGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000269925834 432223026 /nfs/dbraw/zinc/22/30/26/432223026.db2.gz BUMOKAXVVMSRCE-CHWSQXEVSA-N 2 1 314.351 3.144 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)cc1 ZINC000151195217 432228494 /nfs/dbraw/zinc/22/84/94/432228494.db2.gz OFNGPWWUTIJMOV-PBHICJAKSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121239894 287267056 /nfs/dbraw/zinc/26/70/56/287267056.db2.gz WTWWYNLDOQXVPW-XDNAFOTISA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132453220 196257269 /nfs/dbraw/zinc/25/72/69/196257269.db2.gz MHYUQWTVVJRDQQ-AOIWGVFYSA-N 2 1 303.494 3.221 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295861858 225320783 /nfs/dbraw/zinc/32/07/83/225320783.db2.gz GQOHGWMGLPJYEB-AWEZNQCLSA-N 2 1 304.825 3.297 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000296587761 226023143 /nfs/dbraw/zinc/02/31/43/226023143.db2.gz UUPIOFDIJODWJQ-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000291198664 222217090 /nfs/dbraw/zinc/21/70/90/222217090.db2.gz PYJMJJKOWQWGQU-PKOBYXMFSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000291198664 222217091 /nfs/dbraw/zinc/21/70/91/222217091.db2.gz PYJMJJKOWQWGQU-PKOBYXMFSA-N 2 1 304.478 3.182 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1cccc(Br)c1 ZINC000291341072 222325451 /nfs/dbraw/zinc/32/54/51/222325451.db2.gz WUCGMXQTGLDVHN-UHFFFAOYSA-N 2 1 322.250 3.129 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1cccc(Br)c1 ZINC000291341072 222325455 /nfs/dbraw/zinc/32/54/55/222325455.db2.gz WUCGMXQTGLDVHN-UHFFFAOYSA-N 2 1 322.250 3.129 20 0 DGADMP CO[C@](C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000291312155 222304486 /nfs/dbraw/zinc/30/44/86/222304486.db2.gz TYGMPEUDWXBXHC-HXUWFJFHSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000346281341 264001577 /nfs/dbraw/zinc/00/15/77/264001577.db2.gz TXQINWUXXPBOLK-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000346281341 264001579 /nfs/dbraw/zinc/00/15/79/264001579.db2.gz TXQINWUXXPBOLK-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1nccn1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000346298048 264005077 /nfs/dbraw/zinc/00/50/77/264005077.db2.gz AIKMACHWJQZAID-QGZVFWFLSA-N 2 1 318.509 3.168 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000346532153 264048281 /nfs/dbraw/zinc/04/82/81/264048281.db2.gz SUUZWRRMGKHDNP-NSISKUIASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000346532153 264048283 /nfs/dbraw/zinc/04/82/83/264048283.db2.gz SUUZWRRMGKHDNP-NSISKUIASA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346618165 264066750 /nfs/dbraw/zinc/06/67/50/264066750.db2.gz DOALCHKVPOXTBC-LJQANCHMSA-N 2 1 311.404 3.162 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346618165 264066753 /nfs/dbraw/zinc/06/67/53/264066753.db2.gz DOALCHKVPOXTBC-LJQANCHMSA-N 2 1 311.404 3.162 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000346636931 264070145 /nfs/dbraw/zinc/07/01/45/264070145.db2.gz IJARKBORGAUIQP-DOTOQJQBSA-N 2 1 311.429 3.351 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000346647263 264072894 /nfs/dbraw/zinc/07/28/94/264072894.db2.gz FWTRINHCHYYEKQ-MRXNPFEDSA-N 2 1 304.413 3.021 20 0 DGADMP CCOCc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OC ZINC000346649026 264073013 /nfs/dbraw/zinc/07/30/13/264073013.db2.gz BWDUTZKOKALOIM-KRWDZBQOSA-N 2 1 308.466 3.037 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656703 264074521 /nfs/dbraw/zinc/07/45/21/264074521.db2.gz GXECVTWNSULRNB-ONGXEEELSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656703 264074523 /nfs/dbraw/zinc/07/45/23/264074523.db2.gz GXECVTWNSULRNB-ONGXEEELSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000346668271 264076684 /nfs/dbraw/zinc/07/66/84/264076684.db2.gz IFKVEBBWATYPDX-FUHWJXTLSA-N 2 1 310.441 3.435 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000346693509 264081496 /nfs/dbraw/zinc/08/14/96/264081496.db2.gz NMVKYZGGCQQRDK-AWEZNQCLSA-N 2 1 304.463 3.010 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000346693509 264081498 /nfs/dbraw/zinc/08/14/98/264081498.db2.gz NMVKYZGGCQQRDK-AWEZNQCLSA-N 2 1 304.463 3.010 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)s2)o1 ZINC000346821608 264103943 /nfs/dbraw/zinc/10/39/43/264103943.db2.gz IYRLSZVYFXSCCC-AEGPPILISA-N 2 1 317.458 3.271 20 0 DGADMP CCCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346825338 264104845 /nfs/dbraw/zinc/10/48/45/264104845.db2.gz GIAFGHFXWROFGE-HRCADAONSA-N 2 1 312.461 3.006 20 0 DGADMP CCCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346825338 264104846 /nfs/dbraw/zinc/10/48/46/264104846.db2.gz GIAFGHFXWROFGE-HRCADAONSA-N 2 1 312.461 3.006 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346839567 264106819 /nfs/dbraw/zinc/10/68/19/264106819.db2.gz YKYSMOOMKOQSJO-GVDBMIGSSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(C4CCCC4)s3)C[C@H]21 ZINC000346847520 264108243 /nfs/dbraw/zinc/10/82/43/264108243.db2.gz MVMLIWBBDNHXRW-NUEKZKHPSA-N 2 1 305.491 3.360 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccc3)C[C@H]12 ZINC000346854932 264108993 /nfs/dbraw/zinc/10/89/93/264108993.db2.gz ZCCJTVVHSLBXAH-YZGWKJHDSA-N 2 1 322.452 3.435 20 0 DGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C2CCCCC2)n1 ZINC000346856855 264110460 /nfs/dbraw/zinc/11/04/60/264110460.db2.gz PSFKMSHILGBETR-JQHSSLGASA-N 2 1 316.493 3.027 20 0 DGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347005185 264138140 /nfs/dbraw/zinc/13/81/40/264138140.db2.gz BKGPAKLWOABLFT-DFNIBXOVSA-N 2 1 307.441 3.463 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OCCC)c1 ZINC000347016863 264140741 /nfs/dbraw/zinc/14/07/41/264140741.db2.gz ZOKAUGCVDDTOIM-MAUKXSAKSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OCCC)c1 ZINC000347016863 264140744 /nfs/dbraw/zinc/14/07/44/264140744.db2.gz ZOKAUGCVDDTOIM-MAUKXSAKSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347026431 264143006 /nfs/dbraw/zinc/14/30/06/264143006.db2.gz TXKZVQXTLMHWBG-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000347046601 264146840 /nfs/dbraw/zinc/14/68/40/264146840.db2.gz OTXTYKWTAFYLJL-UKRRQHHQSA-N 2 1 312.404 3.464 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064749 264150311 /nfs/dbraw/zinc/15/03/11/264150311.db2.gz XONIJDOEFNHSPE-CVEARBPZSA-N 2 1 305.466 3.012 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000347096137 264155881 /nfs/dbraw/zinc/15/58/81/264155881.db2.gz IDCALSMADSHZFI-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000347096137 264155884 /nfs/dbraw/zinc/15/58/84/264155884.db2.gz IDCALSMADSHZFI-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347099545 264156719 /nfs/dbraw/zinc/15/67/19/264156719.db2.gz LATYTGDILUGXBB-XYPWUTKMSA-N 2 1 323.278 3.472 20 0 DGADMP CCC[N@H+](Cc1cn(-c2ccccc2)nc1C)C1CC[NH2+]CC1 ZINC000347168213 264168734 /nfs/dbraw/zinc/16/87/34/264168734.db2.gz LUOSZYQDAUGPBA-UHFFFAOYSA-N 2 1 312.461 3.145 20 0 DGADMP CCC[N@@H+](Cc1cn(-c2ccccc2)nc1C)C1CC[NH2+]CC1 ZINC000347168213 264168736 /nfs/dbraw/zinc/16/87/36/264168736.db2.gz LUOSZYQDAUGPBA-UHFFFAOYSA-N 2 1 312.461 3.145 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187946 264172523 /nfs/dbraw/zinc/17/25/23/264172523.db2.gz CTNCRJNLDOOLEG-HKUYNNGSSA-N 2 1 317.521 3.204 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347211782 264176679 /nfs/dbraw/zinc/17/66/79/264176679.db2.gz PDMUMXNZWCAKKJ-YOEHRIQHSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217919 264177569 /nfs/dbraw/zinc/17/75/69/264177569.db2.gz SAQKBNGKCJWYAE-ZBFHGGJFSA-N 2 1 304.482 3.027 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217919 264177571 /nfs/dbraw/zinc/17/75/71/264177571.db2.gz SAQKBNGKCJWYAE-ZBFHGGJFSA-N 2 1 304.482 3.027 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(C)C ZINC000347217827 264177581 /nfs/dbraw/zinc/17/75/81/264177581.db2.gz RYFMGOIDVAARBE-GOEBONIOSA-N 2 1 306.450 3.042 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOCc2ccccc2)C[C@@H]1C ZINC000347444291 264222320 /nfs/dbraw/zinc/22/23/20/264222320.db2.gz RUVIMFQNOHGNJY-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCc2ccccc2)C[C@@H]1C ZINC000347444291 264222322 /nfs/dbraw/zinc/22/23/22/264222322.db2.gz RUVIMFQNOHGNJY-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCc2ccccc2)C[C@@H]1C ZINC000347444291 264222324 /nfs/dbraw/zinc/22/23/24/264222324.db2.gz RUVIMFQNOHGNJY-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874603 264299858 /nfs/dbraw/zinc/29/98/58/264299858.db2.gz VTRKYKMDRACQLJ-WMLDXEAASA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874603 264299861 /nfs/dbraw/zinc/29/98/61/264299861.db2.gz VTRKYKMDRACQLJ-WMLDXEAASA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874603 264299862 /nfs/dbraw/zinc/29/98/62/264299862.db2.gz VTRKYKMDRACQLJ-WMLDXEAASA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@@H]1C ZINC000347874603 264299864 /nfs/dbraw/zinc/29/98/64/264299864.db2.gz VTRKYKMDRACQLJ-WMLDXEAASA-N 2 1 320.477 3.317 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000348057912 264330546 /nfs/dbraw/zinc/33/05/46/264330546.db2.gz UWZINJDOODUISF-HIFRSBDPSA-N 2 1 316.367 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000348057912 264330548 /nfs/dbraw/zinc/33/05/48/264330548.db2.gz UWZINJDOODUISF-HIFRSBDPSA-N 2 1 316.367 3.023 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348239590 264371193 /nfs/dbraw/zinc/37/11/93/264371193.db2.gz GYOHLWLTVWQJQL-AZUAARDMSA-N 2 1 316.489 3.269 20 0 DGADMP c1ccc([C@@H]2C[C@H]2C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000348242105 264372338 /nfs/dbraw/zinc/37/23/38/264372338.db2.gz KDIOUCLDYMMAQG-OALUTQOASA-N 2 1 314.473 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000348260225 264376891 /nfs/dbraw/zinc/37/68/91/264376891.db2.gz BQSJUNCZUZFZPR-LNLFQRSKSA-N 2 1 318.509 3.309 20 0 DGADMP C[C@H](c1cccnc1)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348330700 264391890 /nfs/dbraw/zinc/39/18/90/264391890.db2.gz OQZJXRZWAFQTJY-UXPWSPDFSA-N 2 1 307.441 3.206 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000348756086 264446046 /nfs/dbraw/zinc/44/60/46/264446046.db2.gz LTHOXPKJCJBKKT-IAGOWNOFSA-N 2 1 315.486 3.315 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC000348756086 264446047 /nfs/dbraw/zinc/44/60/47/264446047.db2.gz LTHOXPKJCJBKKT-IAGOWNOFSA-N 2 1 315.486 3.315 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000350331745 264604240 /nfs/dbraw/zinc/60/42/40/264604240.db2.gz RFOGUVLPTOWEAA-QGZVFWFLSA-N 2 1 322.518 3.211 20 0 DGADMP Cc1ncccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000352365589 265017988 /nfs/dbraw/zinc/01/79/88/265017988.db2.gz UHGLNGFLHQCWAP-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000352526955 265078998 /nfs/dbraw/zinc/07/89/98/265078998.db2.gz ULJQNJCZWKACNA-HNNXBMFYSA-N 2 1 303.381 3.184 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000352526955 265079001 /nfs/dbraw/zinc/07/90/01/265079001.db2.gz ULJQNJCZWKACNA-HNNXBMFYSA-N 2 1 303.381 3.184 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352541426 265083316 /nfs/dbraw/zinc/08/33/16/265083316.db2.gz XQTVPLGZOXHUAE-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352541426 265083318 /nfs/dbraw/zinc/08/33/18/265083318.db2.gz XQTVPLGZOXHUAE-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP CCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000352777077 265163258 /nfs/dbraw/zinc/16/32/58/265163258.db2.gz AAEWJIMKIGUCOU-UHFFFAOYSA-N 2 1 323.484 3.441 20 0 DGADMP CC(C)COCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822249 265182642 /nfs/dbraw/zinc/18/26/42/265182642.db2.gz FCHQCVKZDYSAJX-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP CC(C)COCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822249 265182648 /nfs/dbraw/zinc/18/26/48/265182648.db2.gz FCHQCVKZDYSAJX-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP CC(C)COCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822249 265182651 /nfs/dbraw/zinc/18/26/51/265182651.db2.gz FCHQCVKZDYSAJX-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP CC[N@H+]1CCC[C@H](CNCc2nc3ccc(OC)cc3s2)C1 ZINC000353234546 265355131 /nfs/dbraw/zinc/35/51/31/265355131.db2.gz IDCIALOADDMWQL-CYBMUJFWSA-N 2 1 319.474 3.126 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC(F)(F)CC1 ZINC000353247399 265361046 /nfs/dbraw/zinc/36/10/46/265361046.db2.gz ZDAGTGGUYHUKID-HOCLYGCPSA-N 2 1 318.452 3.027 20 0 DGADMP CN(C)c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355230659 266009180 /nfs/dbraw/zinc/00/91/80/266009180.db2.gz YIAGDSHSZLOKSH-LJQANCHMSA-N 2 1 323.484 3.364 20 0 DGADMP C(=C/c1ccncc1)\C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355286261 266026942 /nfs/dbraw/zinc/02/69/42/266026942.db2.gz HRKRERAEMRLZOK-WJCJLTOMSA-N 2 1 319.452 3.159 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000355340671 266044416 /nfs/dbraw/zinc/04/44/16/266044416.db2.gz WHJHSFIPSMZXFG-VQIMIIECSA-N 2 1 320.452 3.162 20 0 DGADMP Clc1c[nH+]ccc1N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355684654 266154752 /nfs/dbraw/zinc/15/47/52/266154752.db2.gz QWOOVFRGEPPKNG-HZPDHXFCSA-N 2 1 313.832 3.303 20 0 DGADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccs1 ZINC000151372644 432241203 /nfs/dbraw/zinc/24/12/03/432241203.db2.gz XPDDQYWYMHZELQ-INIZCTEOSA-N 2 1 310.507 3.272 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191265835 432242387 /nfs/dbraw/zinc/24/23/87/432242387.db2.gz YMCYTQKTPLDDQP-KGLIPLIRSA-N 2 1 317.481 3.438 20 0 DGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000368022653 271116966 /nfs/dbraw/zinc/11/69/66/271116966.db2.gz PHQPJMPZBFKNSV-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368585453 271175339 /nfs/dbraw/zinc/17/53/39/271175339.db2.gz RADIZULOQXCACX-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP COc1cccc2c(N3CCC[C@H]([NH+](C)C)CC3)cc(C)[nH+]c12 ZINC000369313367 271261882 /nfs/dbraw/zinc/26/18/82/271261882.db2.gz ZSTJEGAEQMTQMP-HNNXBMFYSA-N 2 1 313.445 3.472 20 0 DGADMP COc1cccc2c(N3CCC[C@@H]([NH+](C)C)CC3)cc(C)[nH+]c12 ZINC000369313368 271262306 /nfs/dbraw/zinc/26/23/06/271262306.db2.gz ZSTJEGAEQMTQMP-OAHLLOKOSA-N 2 1 313.445 3.472 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000369723191 271314430 /nfs/dbraw/zinc/31/44/30/271314430.db2.gz VUTKVHLYQAIMAH-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP CCOCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000370683925 271380684 /nfs/dbraw/zinc/38/06/84/271380684.db2.gz LRYMCCXQLJAPGN-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000191328617 432251288 /nfs/dbraw/zinc/25/12/88/432251288.db2.gz BRLQCOYJEFSKDM-IMJJTQAJSA-N 2 1 306.498 3.470 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000151564317 432256463 /nfs/dbraw/zinc/25/64/63/432256463.db2.gz QVPLLUYVOUWJER-UMPJEAMMSA-N 2 1 310.869 3.426 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1SC ZINC000270537861 432257018 /nfs/dbraw/zinc/25/70/18/432257018.db2.gz WOBMVNPJXBWKIB-HZPDHXFCSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1SC ZINC000270537861 432257022 /nfs/dbraw/zinc/25/70/22/432257022.db2.gz WOBMVNPJXBWKIB-HZPDHXFCSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1SC ZINC000270537861 432257026 /nfs/dbraw/zinc/25/70/26/432257026.db2.gz WOBMVNPJXBWKIB-HZPDHXFCSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1SC ZINC000270537861 432257030 /nfs/dbraw/zinc/25/70/30/432257030.db2.gz WOBMVNPJXBWKIB-HZPDHXFCSA-N 2 1 320.502 3.333 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)cc4cccnc43)CC[C@H]21 ZINC000247951767 432257580 /nfs/dbraw/zinc/25/75/80/432257580.db2.gz FDCVYZYFIFMPFA-CRAIPNDOSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CC[C@H]21 ZINC000247951767 432257585 /nfs/dbraw/zinc/25/75/85/432257585.db2.gz FDCVYZYFIFMPFA-CRAIPNDOSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CC[C@H]21 ZINC000247951767 432257590 /nfs/dbraw/zinc/25/75/90/432257590.db2.gz FDCVYZYFIFMPFA-CRAIPNDOSA-N 2 1 313.420 3.290 20 0 DGADMP CO[C@](C)(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000291107559 274086486 /nfs/dbraw/zinc/08/64/86/274086486.db2.gz FDZNMVGMSCICKI-IMFGXOCKSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2cccc(Br)c21 ZINC000423311991 274392070 /nfs/dbraw/zinc/39/20/70/274392070.db2.gz CIXDWDRCEIDPEH-OWYVNGRQSA-N 2 1 309.251 3.324 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728371 274399929 /nfs/dbraw/zinc/39/99/29/274399929.db2.gz AZOUJSPSFSQORN-VXGBXAGGSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728371 274399931 /nfs/dbraw/zinc/39/99/31/274399931.db2.gz AZOUJSPSFSQORN-VXGBXAGGSA-N 2 1 305.809 3.164 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273403856 275045310 /nfs/dbraw/zinc/04/53/10/275045310.db2.gz NZNQAGCUIFLSMU-SFHVURJKSA-N 2 1 322.880 3.154 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000449078296 276194678 /nfs/dbraw/zinc/19/46/78/276194678.db2.gz LSAARMJGGDKCAT-OTWHNJEPSA-N 2 1 309.542 3.209 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000336852935 276196704 /nfs/dbraw/zinc/19/67/04/276196704.db2.gz BAESZCPOGASCJP-GBESFXJTSA-N 3 1 307.526 3.009 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268932870 276229801 /nfs/dbraw/zinc/22/98/01/276229801.db2.gz YBEICWJIIODOEG-JQFCIGGWSA-N 2 1 310.869 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000279579999 276334963 /nfs/dbraw/zinc/33/49/63/276334963.db2.gz UJZKOPVCGPXSIY-GOSISDBHSA-N 2 1 315.461 3.094 20 0 DGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420327268 276350261 /nfs/dbraw/zinc/35/02/61/276350261.db2.gz YJUZHPJHJKNYCK-BJLQDIEVSA-N 2 1 315.505 3.143 20 0 DGADMP CC(C)c1cc(NC2CC([NH+]3CCCCC3)C2)nc(N(C)C)[nH+]1 ZINC000480831587 429721082 /nfs/dbraw/zinc/72/10/82/429721082.db2.gz SHHVOVIIAATUHR-UHFFFAOYSA-N 2 1 317.481 3.095 20 0 DGADMP CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181901833 277175212 /nfs/dbraw/zinc/17/52/12/277175212.db2.gz SOFOGTXSNDRACN-MRXNPFEDSA-N 2 1 310.482 3.059 20 0 DGADMP CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181901833 277175214 /nfs/dbraw/zinc/17/52/14/277175214.db2.gz SOFOGTXSNDRACN-MRXNPFEDSA-N 2 1 310.482 3.059 20 0 DGADMP C[NH2+]CCC[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000435872210 277267433 /nfs/dbraw/zinc/26/74/33/277267433.db2.gz XGHKPHWSRGNQCN-CYBMUJFWSA-N 2 1 318.383 3.324 20 0 DGADMP C[NH2+]CCC[N@@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000435872210 277267435 /nfs/dbraw/zinc/26/74/35/277267435.db2.gz XGHKPHWSRGNQCN-CYBMUJFWSA-N 2 1 318.383 3.324 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245945373 277396952 /nfs/dbraw/zinc/39/69/52/277396952.db2.gz VPNLOZBZLIMKBB-TVFCKZIOSA-N 2 1 308.510 3.148 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245945367 277397102 /nfs/dbraw/zinc/39/71/02/277397102.db2.gz VPNLOZBZLIMKBB-BRSBDYLESA-N 2 1 308.510 3.148 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422873470 278003603 /nfs/dbraw/zinc/00/36/03/278003603.db2.gz ALWOUFSDNZZKMB-LJDSDSDDSA-N 2 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422873470 278003604 /nfs/dbraw/zinc/00/36/04/278003604.db2.gz ALWOUFSDNZZKMB-LJDSDSDDSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422873470 278003605 /nfs/dbraw/zinc/00/36/05/278003605.db2.gz ALWOUFSDNZZKMB-LJDSDSDDSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000261551311 278103860 /nfs/dbraw/zinc/10/38/60/278103860.db2.gz MCJSLCFFWGIDOC-NMSZZDKCSA-N 2 1 321.468 3.384 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449578933 278354313 /nfs/dbraw/zinc/35/43/13/278354313.db2.gz UINXWFUVYKREQJ-AFYVEPGGSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCc3cccnc3CC2)([NH+](C)C)C1 ZINC000421818549 278525715 /nfs/dbraw/zinc/52/57/15/278525715.db2.gz BKLBWXFNAXIQPB-KPFFTGBYSA-N 2 1 315.505 3.429 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000449383123 278982543 /nfs/dbraw/zinc/98/25/43/278982543.db2.gz FFUOQOUPTGNCNO-SOUVJXGZSA-N 2 1 322.415 3.196 20 0 DGADMP CC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000421878561 288115151 /nfs/dbraw/zinc/11/51/51/288115151.db2.gz NMYZLMCRRMXBDO-LWYYNNOASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220948 279368660 /nfs/dbraw/zinc/36/86/60/279368660.db2.gz FZIWUQWABNXSCG-OQIJWPOYSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220948 279368663 /nfs/dbraw/zinc/36/86/63/279368663.db2.gz FZIWUQWABNXSCG-OQIJWPOYSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)c(F)c(F)c1 ZINC000278966961 279486546 /nfs/dbraw/zinc/48/65/46/279486546.db2.gz NAPUUUIZMHJHHU-WDEREUQCSA-N 2 1 309.335 3.214 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000069723942 431215370 /nfs/dbraw/zinc/21/53/70/431215370.db2.gz YKIMHMXJYJLXSU-JTQLQIEISA-N 2 1 303.269 3.071 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000069724187 431215594 /nfs/dbraw/zinc/21/55/94/431215594.db2.gz DKSJPIYUOUJNHL-JTQLQIEISA-N 2 1 303.269 3.071 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070171093 431243006 /nfs/dbraw/zinc/24/30/06/431243006.db2.gz AIELFZXZDTUHFZ-LBPRGKRZSA-N 2 1 307.488 3.432 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000071142042 431272000 /nfs/dbraw/zinc/27/20/00/431272000.db2.gz SVHOJSBOZQFQRL-VXGBXAGGSA-N 2 1 302.340 3.188 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CCCF)C[C@H](C)O1 ZINC000337985119 288160874 /nfs/dbraw/zinc/16/08/74/288160874.db2.gz CTBKPFXERPUCKQ-XWTMOSNGSA-N 2 1 314.489 3.384 20 0 DGADMP CC[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154600 431530586 /nfs/dbraw/zinc/53/05/86/431530586.db2.gz MGHNACOAOSQUIY-IBGZPJMESA-N 2 1 309.457 3.426 20 0 DGADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154600 431530594 /nfs/dbraw/zinc/53/05/94/431530594.db2.gz MGHNACOAOSQUIY-IBGZPJMESA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccccn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154600 431530601 /nfs/dbraw/zinc/53/06/01/431530601.db2.gz MGHNACOAOSQUIY-IBGZPJMESA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154600 431530606 /nfs/dbraw/zinc/53/06/06/431530606.db2.gz MGHNACOAOSQUIY-IBGZPJMESA-N 2 1 309.457 3.426 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000075834327 431499737 /nfs/dbraw/zinc/49/97/37/431499737.db2.gz MXFKCMXJRVVVBV-QGZVFWFLSA-N 2 1 317.477 3.015 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269025206 280013582 /nfs/dbraw/zinc/01/35/82/280013582.db2.gz RIVHCRDRGXVKFK-FRYIKTPZSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269025206 280013586 /nfs/dbraw/zinc/01/35/86/280013586.db2.gz RIVHCRDRGXVKFK-FRYIKTPZSA-N 2 1 316.489 3.180 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3ccccn3)C2)CC1 ZINC000077482711 431599285 /nfs/dbraw/zinc/59/92/85/431599285.db2.gz MRFWKBZUBFOGQO-SFHVURJKSA-N 2 1 301.478 3.068 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3ccccn3)C2)CC1 ZINC000077482711 431599292 /nfs/dbraw/zinc/59/92/92/431599292.db2.gz MRFWKBZUBFOGQO-SFHVURJKSA-N 2 1 301.478 3.068 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(CC)noc2C)CC1 ZINC000119161997 431653069 /nfs/dbraw/zinc/65/30/69/431653069.db2.gz MFQMAOXJWRHNDZ-UHFFFAOYSA-N 2 1 307.482 3.489 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000119488950 431698256 /nfs/dbraw/zinc/69/82/56/431698256.db2.gz ZWRGGSQAAYJPJI-ZDUSSCGKSA-N 2 1 305.397 3.131 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120459783 431726323 /nfs/dbraw/zinc/72/63/23/431726323.db2.gz JTKXWBVDHIVGOW-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000120459783 431726328 /nfs/dbraw/zinc/72/63/28/431726328.db2.gz JTKXWBVDHIVGOW-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000121346972 431771913 /nfs/dbraw/zinc/77/19/13/431771913.db2.gz XXZLWPPOMITCHL-HNAYVOBHSA-N 2 1 314.429 3.179 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000121408759 431783832 /nfs/dbraw/zinc/78/38/32/431783832.db2.gz RZVFXNMXVNSNRV-KBPBESRZSA-N 2 1 314.433 3.137 20 0 DGADMP C[NH+]1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000036846339 431841767 /nfs/dbraw/zinc/84/17/67/431841767.db2.gz GAANFTGHLPTWOV-UHFFFAOYSA-N 2 1 323.278 3.379 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000037213710 431845187 /nfs/dbraw/zinc/84/51/87/431845187.db2.gz KOKCAYQQSVMQOQ-SNVBAGLBSA-N 2 1 303.219 3.191 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OC)c(OC)c1 ZINC000122837902 431845910 /nfs/dbraw/zinc/84/59/10/431845910.db2.gz ISLASSRVTNDGBC-KRWDZBQOSA-N 2 1 318.461 3.371 20 0 DGADMP Brc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408207 431846620 /nfs/dbraw/zinc/84/66/20/431846620.db2.gz FDDPJHCXBUQFQT-CYBMUJFWSA-N 2 1 309.251 3.023 20 0 DGADMP CC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000122867185 431847324 /nfs/dbraw/zinc/84/73/24/431847324.db2.gz TXLPLHMYFAPLDB-RISCZKNCSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000122867185 431847325 /nfs/dbraw/zinc/84/73/25/431847325.db2.gz TXLPLHMYFAPLDB-RISCZKNCSA-N 2 1 317.260 3.431 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037644446 431848769 /nfs/dbraw/zinc/84/87/69/431848769.db2.gz FDVLICLXTIGXKL-NSHDSACASA-N 2 1 318.795 3.373 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000037644446 431848771 /nfs/dbraw/zinc/84/87/71/431848771.db2.gz FDVLICLXTIGXKL-NSHDSACASA-N 2 1 318.795 3.373 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@H](C)C1 ZINC000089543241 431870270 /nfs/dbraw/zinc/87/02/70/431870270.db2.gz YSQSGGXDCMAWLT-CZUORRHYSA-N 2 1 312.404 3.150 20 0 DGADMP CC[N@H+](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000092564699 431909731 /nfs/dbraw/zinc/90/97/31/431909731.db2.gz URCWBRAEQNXIKK-UHFFFAOYSA-N 2 1 312.498 3.207 20 0 DGADMP CC[N@@H+](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000092564699 431909732 /nfs/dbraw/zinc/90/97/32/431909732.db2.gz URCWBRAEQNXIKK-UHFFFAOYSA-N 2 1 312.498 3.207 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC[NH+](CC2CCCCC2)CC1 ZINC000124976587 431909774 /nfs/dbraw/zinc/90/97/74/431909774.db2.gz AYQMTQNCPLTSEG-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000124976587 431909775 /nfs/dbraw/zinc/90/97/75/431909775.db2.gz AYQMTQNCPLTSEG-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000124976587 431909776 /nfs/dbraw/zinc/90/97/76/431909776.db2.gz AYQMTQNCPLTSEG-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP COc1cc(C[N@@H+](C)CCCn2ccnc2C)ccc1SC ZINC000125043385 431911883 /nfs/dbraw/zinc/91/18/83/431911883.db2.gz DBBJQWJYHRXKDN-UHFFFAOYSA-N 2 1 319.474 3.444 20 0 DGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1SC ZINC000125043385 431911886 /nfs/dbraw/zinc/91/18/86/431911886.db2.gz DBBJQWJYHRXKDN-UHFFFAOYSA-N 2 1 319.474 3.444 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000125115678 431914586 /nfs/dbraw/zinc/91/45/86/431914586.db2.gz DPBGMISOYXFPGZ-UWVAXJGDSA-N 2 1 315.505 3.142 20 0 DGADMP COc1cccc(NC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000125167265 431916574 /nfs/dbraw/zinc/91/65/74/431916574.db2.gz JJBGSCOJPQCVOA-GOSISDBHSA-N 2 1 317.477 3.056 20 0 DGADMP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123773832 431874328 /nfs/dbraw/zinc/87/43/28/431874328.db2.gz ARXYPWZZBUGCIM-RBUKOAKNSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535363 431875058 /nfs/dbraw/zinc/87/50/58/431875058.db2.gz YGQALQWYGSIILV-STQMWFEESA-N 2 1 311.267 3.442 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044534472 431875562 /nfs/dbraw/zinc/87/55/62/431875562.db2.gz MWXGXSBEXXYAPE-STQMWFEESA-N 2 1 311.267 3.442 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000124203044 431885978 /nfs/dbraw/zinc/88/59/78/431885978.db2.gz JKDQXJRWICXUDE-RPWFAHAXSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCCn1ccnc1 ZINC000124286799 431888748 /nfs/dbraw/zinc/88/87/48/431888748.db2.gz XACWZJBFGVBUGK-GFCCVEGCSA-N 2 1 317.418 3.078 20 0 DGADMP C[C@H](c1nc(-c2cccs2)no1)N(C)CCCn1ccnc1 ZINC000124286799 431888750 /nfs/dbraw/zinc/88/87/50/431888750.db2.gz XACWZJBFGVBUGK-GFCCVEGCSA-N 2 1 317.418 3.078 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1 ZINC000124343316 431891178 /nfs/dbraw/zinc/89/11/78/431891178.db2.gz NFJJSIXCKUWZOA-FQEVSTJZSA-N 2 1 317.521 3.309 20 0 DGADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090937744 431897401 /nfs/dbraw/zinc/89/74/01/431897401.db2.gz DGNNXMJLOGIQIT-WCXIOVBPSA-N 2 1 320.477 3.028 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)COc2ccccc2OC)[C@H](C)C1 ZINC000090937585 431898171 /nfs/dbraw/zinc/89/81/71/431898171.db2.gz SVGGCHXGHDRPHW-ZACQAIPSSA-N 2 1 320.477 3.030 20 0 DGADMP CC(C)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000091333150 431903610 /nfs/dbraw/zinc/90/36/10/431903610.db2.gz PLLCHYFQBLBNNX-FQEVSTJZSA-N 2 1 317.521 3.247 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1=CCCOC1 ZINC000127918767 431983866 /nfs/dbraw/zinc/98/38/66/431983866.db2.gz CWOWFAWNILQMCF-XEWABKELSA-N 2 1 314.473 3.079 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CCS2 ZINC000191484196 432269358 /nfs/dbraw/zinc/26/93/58/432269358.db2.gz JMFAJJAFCATZDG-HNNXBMFYSA-N 2 1 308.491 3.410 20 0 DGADMP C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248141020 432269953 /nfs/dbraw/zinc/26/99/53/432269953.db2.gz YNPZEEFMWJVJSJ-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CCN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248141020 432269956 /nfs/dbraw/zinc/26/99/56/432269956.db2.gz YNPZEEFMWJVJSJ-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CCN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000248141020 432269958 /nfs/dbraw/zinc/26/99/58/432269958.db2.gz YNPZEEFMWJVJSJ-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000248123394 432270592 /nfs/dbraw/zinc/27/05/92/432270592.db2.gz NPSKDTDDPQNOMG-BQFCYCMXSA-N 2 1 302.462 3.227 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCS2 ZINC000191513163 432272991 /nfs/dbraw/zinc/27/29/91/432272991.db2.gz FCEODFJRYMHVOU-XJKSGUPXSA-N 2 1 306.475 3.164 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(Cl)n1 ZINC000191518677 432273027 /nfs/dbraw/zinc/27/30/27/432273027.db2.gz LHCGNGJUEKCWCU-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(Cl)n1 ZINC000191518677 432273032 /nfs/dbraw/zinc/27/30/32/432273032.db2.gz LHCGNGJUEKCWCU-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cncc(F)c2)[C@@H](C)C1 ZINC000248170552 432273686 /nfs/dbraw/zinc/27/36/86/432273686.db2.gz URGPNJKGFGVQDV-DAYGRLMNSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(F)c2)[C@@H](C)C1 ZINC000248170552 432273691 /nfs/dbraw/zinc/27/36/91/432273691.db2.gz URGPNJKGFGVQDV-DAYGRLMNSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cncc(F)c2)[C@H](C)C1 ZINC000248170556 432274543 /nfs/dbraw/zinc/27/45/43/432274543.db2.gz URGPNJKGFGVQDV-RKVPGOIHSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(F)c2)[C@H](C)C1 ZINC000248170556 432274548 /nfs/dbraw/zinc/27/45/48/432274548.db2.gz URGPNJKGFGVQDV-RKVPGOIHSA-N 2 1 323.456 3.008 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(F)cc3)CC[C@H]21 ZINC000248200829 432275262 /nfs/dbraw/zinc/27/52/62/432275262.db2.gz YREZEIIDVYGZBB-RHSMWYFYSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccc(F)cc3)CC[C@H]21 ZINC000248200829 432275264 /nfs/dbraw/zinc/27/52/64/432275264.db2.gz YREZEIIDVYGZBB-RHSMWYFYSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3)CC[C@H]21 ZINC000248200829 432275269 /nfs/dbraw/zinc/27/52/69/432275269.db2.gz YREZEIIDVYGZBB-RHSMWYFYSA-N 2 1 308.466 3.334 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408526 432286691 /nfs/dbraw/zinc/28/66/91/432286691.db2.gz VOASQTQUCBZVJG-YCPHGPKFSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408526 432286692 /nfs/dbraw/zinc/28/66/92/432286692.db2.gz VOASQTQUCBZVJG-YCPHGPKFSA-N 2 1 304.482 3.032 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248438281 432291978 /nfs/dbraw/zinc/29/19/78/432291978.db2.gz HTBNFKIQSHPRTH-BXWFABGCSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000151949446 432292090 /nfs/dbraw/zinc/29/20/90/432292090.db2.gz WFGQSXXVPXYABU-QZTJIDSGSA-N 2 1 321.553 3.494 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000128562612 431996098 /nfs/dbraw/zinc/99/60/98/431996098.db2.gz FHMSUMPXVYZQDS-OAHLLOKOSA-N 2 1 309.885 3.018 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000128549285 431996263 /nfs/dbraw/zinc/99/62/63/431996263.db2.gz RCRPPSZBDXSXAV-HXUWFJFHSA-N 2 1 315.505 3.071 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419658 432263018 /nfs/dbraw/zinc/26/30/18/432263018.db2.gz UDFBIOOLFKRBFJ-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419658 432263021 /nfs/dbraw/zinc/26/30/21/432263021.db2.gz UDFBIOOLFKRBFJ-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419658 432263025 /nfs/dbraw/zinc/26/30/25/432263025.db2.gz UDFBIOOLFKRBFJ-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419658 432263028 /nfs/dbraw/zinc/26/30/28/432263028.db2.gz UDFBIOOLFKRBFJ-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419658 432263031 /nfs/dbraw/zinc/26/30/31/432263031.db2.gz UDFBIOOLFKRBFJ-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP C[C@@H]1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000248824161 432319884 /nfs/dbraw/zinc/31/98/84/432319884.db2.gz CMMKVTXHMPYBTG-JFIYKMOQSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000271044346 432320621 /nfs/dbraw/zinc/32/06/21/432320621.db2.gz OXOFDFVBODRFKZ-UHFFFAOYSA-N 2 1 312.461 3.381 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000271044346 432320625 /nfs/dbraw/zinc/32/06/25/432320625.db2.gz OXOFDFVBODRFKZ-UHFFFAOYSA-N 2 1 312.461 3.381 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248827297 432322915 /nfs/dbraw/zinc/32/29/15/432322915.db2.gz GPDGILANYMNBSI-CSNJMZFVSA-N 3 1 307.526 3.102 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248827297 432322917 /nfs/dbraw/zinc/32/29/17/432322917.db2.gz GPDGILANYMNBSI-CSNJMZFVSA-N 3 1 307.526 3.102 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248827297 432322922 /nfs/dbraw/zinc/32/29/22/432322922.db2.gz GPDGILANYMNBSI-CSNJMZFVSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000248828194 432323054 /nfs/dbraw/zinc/32/30/54/432323054.db2.gz DJYIVTMBLHJZBH-GPMSIDNRSA-N 2 1 302.462 3.227 20 0 DGADMP CC[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000183759793 432324304 /nfs/dbraw/zinc/32/43/04/432324304.db2.gz SDBXCWJEMGBSON-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000183759793 432324308 /nfs/dbraw/zinc/32/43/08/432324308.db2.gz SDBXCWJEMGBSON-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000183759793 432324311 /nfs/dbraw/zinc/32/43/11/432324311.db2.gz SDBXCWJEMGBSON-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP COC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156464 432326099 /nfs/dbraw/zinc/32/60/99/432326099.db2.gz PSWHUBSLELXONO-OAHLLOKOSA-N 2 1 302.418 3.036 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000271072629 432326453 /nfs/dbraw/zinc/32/64/53/432326453.db2.gz WEZBLUULHSEOTK-KRWDZBQOSA-N 2 1 319.493 3.213 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000249378291 432346408 /nfs/dbraw/zinc/34/64/08/432346408.db2.gz NGKIKFWGZWKMGY-ZIAGYGMSSA-N 2 1 302.418 3.434 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000249378291 432346411 /nfs/dbraw/zinc/34/64/11/432346411.db2.gz NGKIKFWGZWKMGY-ZIAGYGMSSA-N 2 1 302.418 3.434 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249436470 432349216 /nfs/dbraw/zinc/34/92/16/432349216.db2.gz SIYCCLDCQSSINY-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CC[C@@H]1CCCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249436470 432349220 /nfs/dbraw/zinc/34/92/20/432349220.db2.gz SIYCCLDCQSSINY-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000191811542 432304603 /nfs/dbraw/zinc/30/46/03/432304603.db2.gz LDPJCGMWVKIBEN-UHFFFAOYSA-N 2 1 308.441 3.153 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248604212 432305404 /nfs/dbraw/zinc/30/54/04/432305404.db2.gz VBIFONJRKKOASP-QZTJIDSGSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248604212 432305407 /nfs/dbraw/zinc/30/54/07/432305407.db2.gz VBIFONJRKKOASP-QZTJIDSGSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248604212 432305408 /nfs/dbraw/zinc/30/54/08/432305408.db2.gz VBIFONJRKKOASP-QZTJIDSGSA-N 2 1 302.462 3.044 20 0 DGADMP COC(=O)C1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000192439361 432373836 /nfs/dbraw/zinc/37/38/36/432373836.db2.gz VMWWFFQUIWPMBB-OQSMONGASA-N 2 1 324.509 3.066 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000153220583 432391949 /nfs/dbraw/zinc/39/19/49/432391949.db2.gz MHUPGWDZKSOAIL-CRAIPNDOSA-N 2 1 302.462 3.244 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]12 ZINC000261561702 432429718 /nfs/dbraw/zinc/42/97/18/432429718.db2.gz VRPHVZZEAJBWKZ-CEWLAPEOSA-N 2 1 322.452 3.435 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261556676 432429911 /nfs/dbraw/zinc/42/99/11/432429911.db2.gz CDIYKRGIIPZAGZ-REJLFOLJSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550420 432431132 /nfs/dbraw/zinc/43/11/32/432431132.db2.gz PLJZUEIYTFNYPW-IJXRJRJASA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550420 432431136 /nfs/dbraw/zinc/43/11/36/432431136.db2.gz PLJZUEIYTFNYPW-IJXRJRJASA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550420 432431139 /nfs/dbraw/zinc/43/11/39/432431139.db2.gz PLJZUEIYTFNYPW-IJXRJRJASA-N 2 1 315.505 3.004 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]12 ZINC000261561705 432431683 /nfs/dbraw/zinc/43/16/83/432431683.db2.gz VRPHVZZEAJBWKZ-SESVDKBCSA-N 2 1 322.452 3.435 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000272055749 432438016 /nfs/dbraw/zinc/43/80/16/432438016.db2.gz RHKURSPRWMVWHH-UHFFFAOYSA-N 2 1 313.323 3.112 20 0 DGADMP CC[N@H+](Cc1nc2ccc(F)cc2s1)[C@H]1CCC[NH2+]CC1 ZINC000261790155 432450181 /nfs/dbraw/zinc/45/01/81/432450181.db2.gz GCZCSJCDPLKORZ-ZDUSSCGKSA-N 2 1 307.438 3.399 20 0 DGADMP CC[N@@H+](Cc1nc2ccc(F)cc2s1)[C@H]1CCC[NH2+]CC1 ZINC000261790155 432450184 /nfs/dbraw/zinc/45/01/84/432450184.db2.gz GCZCSJCDPLKORZ-ZDUSSCGKSA-N 2 1 307.438 3.399 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000261812675 432452676 /nfs/dbraw/zinc/45/26/76/432452676.db2.gz GRJOCJIWBAIDKT-RYQLBKOJSA-N 2 1 311.429 3.209 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193136922 432454391 /nfs/dbraw/zinc/45/43/91/432454391.db2.gz IVBLIUSLEWLGKI-UHFFFAOYSA-N 2 1 316.898 3.381 20 0 DGADMP Fc1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000271529575 432414548 /nfs/dbraw/zinc/41/45/48/432414548.db2.gz KGKJFVJEAZGRAT-MSOLQXFVSA-N 2 1 302.437 3.365 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000271525717 432415277 /nfs/dbraw/zinc/41/52/77/432415277.db2.gz REAKYSOEYKUDKZ-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000259042448 432427080 /nfs/dbraw/zinc/42/70/80/432427080.db2.gz PSPSODICGRVVLS-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000193458524 432473500 /nfs/dbraw/zinc/47/35/00/432473500.db2.gz BYQHPEITDBQBLG-KRWDZBQOSA-N 2 1 318.461 3.327 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000193458524 432473503 /nfs/dbraw/zinc/47/35/03/432473503.db2.gz BYQHPEITDBQBLG-KRWDZBQOSA-N 2 1 318.461 3.327 20 0 DGADMP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000185195643 432475715 /nfs/dbraw/zinc/47/57/15/432475715.db2.gz HHZRRPIUQNMNDJ-LJQANCHMSA-N 2 1 318.505 3.080 20 0 DGADMP C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000272345997 432486380 /nfs/dbraw/zinc/48/63/80/432486380.db2.gz PVAIRZLYOJEFOF-BQFCYCMXSA-N 2 1 310.445 3.038 20 0 DGADMP C[NH+](C)CC1(C[NH2+]CC2=Cc3ccccc3OC2)CCCC1 ZINC000185292512 432488089 /nfs/dbraw/zinc/48/80/89/432488089.db2.gz SAOOYEYYUDEDKF-UHFFFAOYSA-N 2 1 300.446 3.174 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000262565495 432491099 /nfs/dbraw/zinc/49/10/99/432491099.db2.gz WLVYHTPGVHMROC-NWANDNLSSA-N 2 1 315.848 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000262565495 432491103 /nfs/dbraw/zinc/49/11/03/432491103.db2.gz WLVYHTPGVHMROC-NWANDNLSSA-N 2 1 315.848 3.366 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CCCCO)cc1 ZINC000272458500 432505043 /nfs/dbraw/zinc/50/50/43/432505043.db2.gz QKSIUDPBHFEPNP-CABCVRRESA-N 2 1 301.434 3.382 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455775 432505974 /nfs/dbraw/zinc/50/59/74/432505974.db2.gz JXIAQMYSYXWNNU-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455771 432506045 /nfs/dbraw/zinc/50/60/45/432506045.db2.gz JXIAQMYSYXWNNU-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487149 432511326 /nfs/dbraw/zinc/51/13/26/432511326.db2.gz MRDBASOMDSGOCM-KDOFPFPSSA-N 2 1 313.445 3.292 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272487149 432511330 /nfs/dbraw/zinc/51/13/30/432511330.db2.gz MRDBASOMDSGOCM-KDOFPFPSSA-N 2 1 313.445 3.292 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206544 432462135 /nfs/dbraw/zinc/46/21/35/432462135.db2.gz PKUITMKQONLHHE-VQIMIIECSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206540 432462749 /nfs/dbraw/zinc/46/27/49/432462749.db2.gz PKUITMKQONLHHE-APWZRJJASA-N 2 1 310.441 3.392 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261953896 432463109 /nfs/dbraw/zinc/46/31/09/432463109.db2.gz GHBXPHLZZIJDAU-NRFANRHFSA-N 2 1 322.452 3.451 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261953896 432463111 /nfs/dbraw/zinc/46/31/11/432463111.db2.gz GHBXPHLZZIJDAU-NRFANRHFSA-N 2 1 322.452 3.451 20 0 DGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2c1 ZINC000261950477 432464363 /nfs/dbraw/zinc/46/43/63/432464363.db2.gz WEYHMQVQWMQTPX-YSIASYRMSA-N 2 1 310.441 3.408 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011484 432464608 /nfs/dbraw/zinc/46/46/08/432464608.db2.gz MSWVHYRHKAVADM-PVAVHDDUSA-N 2 1 309.523 3.203 20 0 DGADMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227309 432465469 /nfs/dbraw/zinc/46/54/69/432465469.db2.gz QTJYUHBKSOIUFM-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261999568 432467482 /nfs/dbraw/zinc/46/74/82/432467482.db2.gz UADKDNYXKSXRPZ-NOLJZWGESA-N 2 1 308.853 3.298 20 0 DGADMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261999568 432467486 /nfs/dbraw/zinc/46/74/86/432467486.db2.gz UADKDNYXKSXRPZ-NOLJZWGESA-N 2 1 308.853 3.298 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154028461 432467585 /nfs/dbraw/zinc/46/75/85/432467585.db2.gz XDMXATIRGGEMQR-ONIAQPFYSA-N 2 1 319.493 3.043 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000262006624 432467733 /nfs/dbraw/zinc/46/77/33/432467733.db2.gz RTRPPKQGNRFIRG-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261999558 432467967 /nfs/dbraw/zinc/46/79/67/432467967.db2.gz UADKDNYXKSXRPZ-BJJXKVORSA-N 2 1 308.853 3.298 20 0 DGADMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261999558 432467970 /nfs/dbraw/zinc/46/79/70/432467970.db2.gz UADKDNYXKSXRPZ-BJJXKVORSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272246823 432470363 /nfs/dbraw/zinc/47/03/63/432470363.db2.gz XKMJBZPAJPYSPV-PIKOESSRSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@@H]1[C@H](C)CC[NH+]1CC1(C[N@@H+]2CC[C@H](C)[C@@H]2CC)COC1 ZINC000185656207 432520184 /nfs/dbraw/zinc/52/01/84/432520184.db2.gz FDNMTISVHLYMLS-USTZCAOPSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC1(C[NH+]2CC[C@H](C)[C@@H]2CC)COC1 ZINC000185656207 432520189 /nfs/dbraw/zinc/52/01/89/432520189.db2.gz FDNMTISVHLYMLS-USTZCAOPSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1[C@H](C)CC[N@@H+]1CC1(C[NH+]2CC[C@H](C)[C@@H]2CC)COC1 ZINC000185656207 432520196 /nfs/dbraw/zinc/52/01/96/432520196.db2.gz FDNMTISVHLYMLS-USTZCAOPSA-N 2 1 308.510 3.244 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000194069422 432522516 /nfs/dbraw/zinc/52/25/16/432522516.db2.gz NLLNVKAPMYPALV-ULQDDVLXSA-N 2 1 310.869 3.490 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(OC)cc1 ZINC000154825697 432523863 /nfs/dbraw/zinc/52/38/63/432523863.db2.gz KAQHILKDVCUGME-IBGZPJMESA-N 2 1 320.477 3.237 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Br)o1 ZINC000176456697 432523949 /nfs/dbraw/zinc/52/39/49/432523949.db2.gz ZPBGIUYGBNCAHP-LBPRGKRZSA-N 2 1 315.255 3.348 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000154847539 432524500 /nfs/dbraw/zinc/52/45/00/432524500.db2.gz DQKIAUWGGPOEPM-AEFFLSMTSA-N 2 1 304.478 3.336 20 0 DGADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185735150 432529335 /nfs/dbraw/zinc/52/93/35/432529335.db2.gz FDVGNFVUVYEYKL-SJLPKXTDSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185757566 432529876 /nfs/dbraw/zinc/52/98/76/432529876.db2.gz BJQXNPPVSZWRPN-GMBSWORKSA-N 2 1 320.452 3.102 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1C ZINC000194390796 432547892 /nfs/dbraw/zinc/54/78/92/432547892.db2.gz QKEFEOXWAFTFTG-GOSISDBHSA-N 2 1 304.478 3.461 20 0 DGADMP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000177263952 432605580 /nfs/dbraw/zinc/60/55/80/432605580.db2.gz GJFZJQNVRAGQAE-BBWFWOEESA-N 2 1 320.477 3.235 20 0 DGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1Cl ZINC000177298359 432609543 /nfs/dbraw/zinc/60/95/43/432609543.db2.gz SSZIWGLJZNEUFD-OAHLLOKOSA-N 2 1 323.912 3.264 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000195307447 432616545 /nfs/dbraw/zinc/61/65/45/432616545.db2.gz FDFRRDJFMOHLLW-UHFFFAOYSA-N 2 1 302.422 3.139 20 0 DGADMP CC(C)N(C)CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000195307447 432616549 /nfs/dbraw/zinc/61/65/49/432616549.db2.gz FDFRRDJFMOHLLW-UHFFFAOYSA-N 2 1 302.422 3.139 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000157278577 432617196 /nfs/dbraw/zinc/61/71/96/432617196.db2.gz WTAPKENAISNLRI-KRWDZBQOSA-N 2 1 317.477 3.157 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)nc2)cc1C ZINC000177117042 432587818 /nfs/dbraw/zinc/58/78/18/432587818.db2.gz LNZHQMHXXYWJGL-UHFFFAOYSA-N 2 1 322.412 3.216 20 0 DGADMP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177153037 432591010 /nfs/dbraw/zinc/59/10/10/432591010.db2.gz SJNKZTGQBXGGJB-QGZVFWFLSA-N 2 1 314.433 3.048 20 0 DGADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc21 ZINC000186411371 432592552 /nfs/dbraw/zinc/59/25/52/432592552.db2.gz VJJPLHOGEFMWEK-IAGOWNOFSA-N 2 1 315.436 3.076 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186412131 432592785 /nfs/dbraw/zinc/59/27/85/432592785.db2.gz PTMVYZYZIDEHDN-LBTNJELSSA-N 2 1 317.452 3.178 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](C)C3)oc21 ZINC000194989149 432593146 /nfs/dbraw/zinc/59/31/46/432593146.db2.gz IHRPDZOYECAYDD-UONOGXRCSA-N 2 1 302.418 3.434 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](C)C3)oc21 ZINC000194989149 432593150 /nfs/dbraw/zinc/59/31/50/432593150.db2.gz IHRPDZOYECAYDD-UONOGXRCSA-N 2 1 302.418 3.434 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273419978 432597328 /nfs/dbraw/zinc/59/73/28/432597328.db2.gz RPYOMOVHCGGIOW-YSIASYRMSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273484234 432603828 /nfs/dbraw/zinc/60/38/28/432603828.db2.gz VGHRDTWUUFOQRQ-CSJNCLCHSA-N 2 1 320.452 3.364 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000156690651 432604462 /nfs/dbraw/zinc/60/44/62/432604462.db2.gz IZOLEEPYMJALQI-MSOLQXFVSA-N 2 1 307.526 3.105 20 0 DGADMP C[NH+]1CCC([NH2+]CCOc2ccccc2-c2ccccc2)CC1 ZINC000177259028 432604792 /nfs/dbraw/zinc/60/47/92/432604792.db2.gz QBCJMNNMGXVASQ-UHFFFAOYSA-N 2 1 310.441 3.416 20 0 DGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000157651008 432626207 /nfs/dbraw/zinc/62/62/07/432626207.db2.gz YSJTYWKHFRPVAM-JXFKEZNVSA-N 2 1 316.489 3.433 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000264343537 432637541 /nfs/dbraw/zinc/63/75/41/432637541.db2.gz DYVYIPGICDKBHA-LPHOPBHVSA-N 2 1 304.478 3.162 20 0 DGADMP COC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159049268 432668476 /nfs/dbraw/zinc/66/84/76/432668476.db2.gz KULRNZIGTFAKTF-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159049268 432668482 /nfs/dbraw/zinc/66/84/82/432668482.db2.gz KULRNZIGTFAKTF-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159049268 432668485 /nfs/dbraw/zinc/66/84/85/432668485.db2.gz KULRNZIGTFAKTF-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000158562296 432648699 /nfs/dbraw/zinc/64/86/99/432648699.db2.gz YUYWYQSPFQXHMH-JZXOWHBKSA-N 2 1 306.498 3.219 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Br ZINC000219389821 432662677 /nfs/dbraw/zinc/66/26/77/432662677.db2.gz ATMREDVLLLKWPZ-JSGCOSHPSA-N 2 1 311.267 3.330 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000178119839 432697928 /nfs/dbraw/zinc/69/79/28/432697928.db2.gz YHEOPQPDMXNURN-PMPSAXMXSA-N 2 1 312.498 3.207 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000274682976 432698209 /nfs/dbraw/zinc/69/82/09/432698209.db2.gz RYTSWSJMIPFENT-MRXNPFEDSA-N 2 1 312.461 3.279 20 0 DGADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274845707 432714515 /nfs/dbraw/zinc/71/45/15/432714515.db2.gz PTMBVWKODTZEGZ-XLIONFOSSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928816 432721386 /nfs/dbraw/zinc/72/13/86/432721386.db2.gz QLCFIUXKJWCFHB-WDSOQIARSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259107 432724422 /nfs/dbraw/zinc/72/44/22/432724422.db2.gz JMIHKUPMJJIDHA-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259107 432724425 /nfs/dbraw/zinc/72/44/25/432724425.db2.gz JMIHKUPMJJIDHA-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)cc1 ZINC000275259107 432724428 /nfs/dbraw/zinc/72/44/28/432724428.db2.gz JMIHKUPMJJIDHA-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)cc1 ZINC000275259107 432724430 /nfs/dbraw/zinc/72/44/30/432724430.db2.gz JMIHKUPMJJIDHA-IUODEOHRSA-N 2 1 311.267 3.221 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)s3)C[C@@H]21 ZINC000230049048 432725230 /nfs/dbraw/zinc/72/52/30/432725230.db2.gz ARMGQNRKMQDXMT-ADEWGFFLSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)s3)C[C@@H]21 ZINC000230049048 432725234 /nfs/dbraw/zinc/72/52/34/432725234.db2.gz ARMGQNRKMQDXMT-ADEWGFFLSA-N 2 1 315.280 3.070 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000265183948 432672471 /nfs/dbraw/zinc/67/24/71/432672471.db2.gz MNNYVPFPVNLKGJ-HKUYNNGSSA-N 2 1 304.478 3.222 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000236644238 432754105 /nfs/dbraw/zinc/75/41/05/432754105.db2.gz VVRDPQBQQOENAZ-UHFFFAOYSA-N 2 1 318.490 3.491 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696495 432767825 /nfs/dbraw/zinc/76/78/25/432767825.db2.gz JFGSNPUBDOHBJJ-GJZGRUSLSA-N 2 1 301.434 3.057 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000178697838 432768839 /nfs/dbraw/zinc/76/88/39/432768839.db2.gz ZDOYARIPFKGHDK-SUMWQHHRSA-N 2 1 317.408 3.470 20 0 DGADMP COC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237239828 432781482 /nfs/dbraw/zinc/78/14/82/432781482.db2.gz KBEWSPPTIHEAKK-BBWFWOEESA-N 2 1 304.478 3.289 20 0 DGADMP Cn1cc(CC[NH2+]C2CC[NH+](C)CC2)c2ccc(Cl)cc21 ZINC000188559250 432732863 /nfs/dbraw/zinc/73/28/63/432732863.db2.gz PYQULGJAAQHMBO-UHFFFAOYSA-N 2 1 305.853 3.058 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@@H]1CCC[NH2+]CC1 ZINC000231668708 432732956 /nfs/dbraw/zinc/73/29/56/432732956.db2.gz YVXLYCAZGCUVNR-CQSZACIVSA-N 2 1 303.837 3.462 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000234369387 432740965 /nfs/dbraw/zinc/74/09/65/432740965.db2.gz HZDAXBVCZGHTBO-UHFFFAOYSA-N 2 1 305.647 3.144 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000234369387 432740968 /nfs/dbraw/zinc/74/09/68/432740968.db2.gz HZDAXBVCZGHTBO-UHFFFAOYSA-N 2 1 305.647 3.144 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000178472681 432740977 /nfs/dbraw/zinc/74/09/77/432740977.db2.gz MZLHOHJNJALGEF-TYNCELHUSA-N 2 1 316.367 3.404 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)[C@H](C)C1 ZINC000178478892 432742901 /nfs/dbraw/zinc/74/29/01/432742901.db2.gz YGHCNVKLSDNMFK-QAPCUYQASA-N 2 1 317.477 3.101 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccs3)CC2)nc(C)[nH+]1 ZINC000162244449 432817396 /nfs/dbraw/zinc/81/73/96/432817396.db2.gz FBBMYJRXYHCVRF-ZDUSSCGKSA-N 2 1 316.474 3.475 20 0 DGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000277005301 432828190 /nfs/dbraw/zinc/82/81/90/432828190.db2.gz XBZGVAUQRSFDJB-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000277005301 432828192 /nfs/dbraw/zinc/82/81/92/432828192.db2.gz XBZGVAUQRSFDJB-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267453795 432834332 /nfs/dbraw/zinc/83/43/32/432834332.db2.gz SFQGFWFLMSYPFH-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267453795 432834333 /nfs/dbraw/zinc/83/43/33/432834333.db2.gz SFQGFWFLMSYPFH-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453795 432834335 /nfs/dbraw/zinc/83/43/35/432834335.db2.gz SFQGFWFLMSYPFH-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453795 432834338 /nfs/dbraw/zinc/83/43/38/432834338.db2.gz SFQGFWFLMSYPFH-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000161713009 432793797 /nfs/dbraw/zinc/79/37/97/432793797.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161713009 432793801 /nfs/dbraw/zinc/79/38/01/432793801.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000161713009 432793805 /nfs/dbraw/zinc/79/38/05/432793805.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000161713009 432793808 /nfs/dbraw/zinc/79/38/08/432793808.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000161713009 432793811 /nfs/dbraw/zinc/79/38/11/432793811.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000161713009 432793815 /nfs/dbraw/zinc/79/38/15/432793815.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000161713009 432793820 /nfs/dbraw/zinc/79/38/20/432793820.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161713009 432793822 /nfs/dbraw/zinc/79/38/22/432793822.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000161713009 432793827 /nfs/dbraw/zinc/79/38/27/432793827.db2.gz HEDUSSCSEUPDRE-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)ccc1OC(F)F ZINC000268319494 432863046 /nfs/dbraw/zinc/86/30/46/432863046.db2.gz KIDUZFVDJMSLNH-UHFFFAOYSA-N 2 1 309.360 3.281 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685476 432869623 /nfs/dbraw/zinc/86/96/23/432869623.db2.gz KWLJOOGWSJABOB-SWLSCSKDSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685476 432869624 /nfs/dbraw/zinc/86/96/24/432869624.db2.gz KWLJOOGWSJABOB-SWLSCSKDSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685476 432869627 /nfs/dbraw/zinc/86/96/27/432869627.db2.gz KWLJOOGWSJABOB-SWLSCSKDSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685476 432869628 /nfs/dbraw/zinc/86/96/28/432869628.db2.gz KWLJOOGWSJABOB-SWLSCSKDSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685476 432869630 /nfs/dbraw/zinc/86/96/30/432869630.db2.gz KWLJOOGWSJABOB-SWLSCSKDSA-N 2 1 313.367 3.017 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccccc32)CCCO1 ZINC000278480202 432896004 /nfs/dbraw/zinc/89/60/04/432896004.db2.gz KMNAEBYPSSGHAG-RDJZCZTQSA-N 2 1 320.502 3.314 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1csc(C)n1 ZINC000277389925 432844740 /nfs/dbraw/zinc/84/47/40/432844740.db2.gz YTXQHCBMDXJHJO-UHFFFAOYSA-N 2 1 306.479 3.165 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1csc(C)n1 ZINC000277389925 432844743 /nfs/dbraw/zinc/84/47/43/432844743.db2.gz YTXQHCBMDXJHJO-UHFFFAOYSA-N 2 1 306.479 3.165 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000268101923 432845642 /nfs/dbraw/zinc/84/56/42/432845642.db2.gz KWCRYDKXKCAMEJ-PMACEKPBSA-N 2 1 316.489 3.306 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245598713 432848666 /nfs/dbraw/zinc/84/86/66/432848666.db2.gz IDLCXMJTQWRTMG-IAGOWNOFSA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245598713 432848671 /nfs/dbraw/zinc/84/86/71/432848671.db2.gz IDLCXMJTQWRTMG-IAGOWNOFSA-N 2 1 317.433 3.153 20 0 DGADMP CC[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245653599 432853314 /nfs/dbraw/zinc/85/33/14/432853314.db2.gz DCURWBGTMIDVLQ-FRYIKTPZSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163494934 432853626 /nfs/dbraw/zinc/85/36/26/432853626.db2.gz DOVILUZOVSWNKT-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CNCc2cc(F)ncc2F)c1 ZINC000296565681 432923365 /nfs/dbraw/zinc/92/33/65/432923365.db2.gz VPLQQYJJDUQAIJ-UHFFFAOYSA-N 2 1 319.399 3.490 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ncc2F)c1 ZINC000296565681 432923366 /nfs/dbraw/zinc/92/33/66/432923366.db2.gz VPLQQYJJDUQAIJ-UHFFFAOYSA-N 2 1 319.399 3.490 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ncc2F)c1 ZINC000296565681 432923368 /nfs/dbraw/zinc/92/33/68/432923368.db2.gz VPLQQYJJDUQAIJ-UHFFFAOYSA-N 2 1 319.399 3.490 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278972944 432923514 /nfs/dbraw/zinc/92/35/14/432923514.db2.gz NVCLNENSCKUVEJ-CHWSQXEVSA-N 2 1 316.474 3.132 20 0 DGADMP CCOCc1cc(C[N@@H+](CC)CCC[NH+](C)C)ccc1OC ZINC000289188006 432931273 /nfs/dbraw/zinc/93/12/73/432931273.db2.gz BDAKIZKLHLDLGJ-UHFFFAOYSA-N 2 1 308.466 3.005 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289330644 432944668 /nfs/dbraw/zinc/94/46/68/432944668.db2.gz VQKNCKMBGSKLDV-BBRMVZONSA-N 2 1 306.425 3.143 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCc3ccncc3)CC2)n2c1CCCC2 ZINC000278835901 432907244 /nfs/dbraw/zinc/90/72/44/432907244.db2.gz IUXWCCSLJFMLOV-UHFFFAOYSA-N 2 1 310.445 3.037 20 0 DGADMP Fc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000278876475 432912099 /nfs/dbraw/zinc/91/20/99/432912099.db2.gz NOENDRZXIBYAGY-ZDUSSCGKSA-N 2 1 310.844 3.486 20 0 DGADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000278886484 432913185 /nfs/dbraw/zinc/91/31/85/432913185.db2.gz PTVHIPGJEFLCNY-INIZCTEOSA-N 2 1 307.825 3.212 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000278918059 432916053 /nfs/dbraw/zinc/91/60/53/432916053.db2.gz HNDMPIYKBUPZQI-DZGCQCFKSA-N 2 1 315.465 3.056 20 0 DGADMP Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000278947794 432921490 /nfs/dbraw/zinc/92/14/90/432921490.db2.gz LABMSGHNYGAVOX-IEBWSBKVSA-N 2 1 309.457 3.365 20 0 DGADMP Cc1ccc([C@H](NCCC[NH+]2CCC(O)CC2)C2CCCC2)o1 ZINC000349452064 432964434 /nfs/dbraw/zinc/96/44/34/432964434.db2.gz NJLYJSTVMMAGGF-LJQANCHMSA-N 2 1 320.477 3.256 20 0 DGADMP C[C@@H]1C[C@@H](NCc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239780 432979595 /nfs/dbraw/zinc/97/95/95/432979595.db2.gz ILOVMAPUMBMYGW-KGLIPLIRSA-N 3 1 318.852 3.098 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CCN1C ZINC000297239780 432979599 /nfs/dbraw/zinc/97/95/99/432979599.db2.gz ILOVMAPUMBMYGW-KGLIPLIRSA-N 2 1 318.852 3.098 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000341189491 432986264 /nfs/dbraw/zinc/98/62/64/432986264.db2.gz MXKGCRSHKKJQFG-UHFFFAOYSA-N 2 1 305.447 3.177 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000279715833 432991626 /nfs/dbraw/zinc/99/16/26/432991626.db2.gz LNLRHMQCMPSQDV-AOIWGVFYSA-N 2 1 304.478 3.473 20 0 DGADMP CC[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)OCCc2ccccc21 ZINC000297351493 432993734 /nfs/dbraw/zinc/99/37/34/432993734.db2.gz FYVBYGRMIHVLEI-HXUWFJFHSA-N 2 1 314.473 3.081 20 0 DGADMP CCN1CCCC[C@H]1C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000280135039 433003294 /nfs/dbraw/zinc/00/32/94/433003294.db2.gz WVJPMZNIIRJHFA-INIZCTEOSA-N 2 1 312.417 3.198 20 0 DGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000280158986 433006415 /nfs/dbraw/zinc/00/64/15/433006415.db2.gz QQCFYOOWGAGHCS-UWJYYQICSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000297752553 433013428 /nfs/dbraw/zinc/01/34/28/433013428.db2.gz ULSVXTPDCHYJQP-GOSISDBHSA-N 2 1 313.489 3.180 20 0 DGADMP Cn1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(F)cc21 ZINC000297766620 433014629 /nfs/dbraw/zinc/01/46/29/433014629.db2.gz VGFQBWFYJNUDDQ-UHFFFAOYSA-N 2 1 315.436 3.076 20 0 DGADMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccon1 ZINC000349827766 433017502 /nfs/dbraw/zinc/01/75/02/433017502.db2.gz DKIWLVLJDCJEEE-ITQYTPKQSA-N 2 1 311.429 3.236 20 0 DGADMP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290244482 433020442 /nfs/dbraw/zinc/02/04/42/433020442.db2.gz SWHYKFQLZOKVMJ-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1nc2ccccc2n1C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000280279608 433026486 /nfs/dbraw/zinc/02/64/86/433026486.db2.gz SCIFRYILUJEPJZ-UHFFFAOYSA-N 2 1 323.444 3.187 20 0 DGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000280340861 433037288 /nfs/dbraw/zinc/03/72/88/433037288.db2.gz QPNVDMTZUUKSSA-LSDHHAIUSA-N 2 1 318.461 3.047 20 0 DGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](C)CC1CCOCC1 ZINC000350015624 433050653 /nfs/dbraw/zinc/05/06/53/433050653.db2.gz QULLUXRCTJUCKR-CRAIPNDOSA-N 2 1 305.466 3.109 20 0 DGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](C)CC1CCOCC1 ZINC000350015624 433050656 /nfs/dbraw/zinc/05/06/56/433050656.db2.gz QULLUXRCTJUCKR-CRAIPNDOSA-N 2 1 305.466 3.109 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000341433192 433056158 /nfs/dbraw/zinc/05/61/58/433056158.db2.gz NZQQAHXXSDWIBW-GDBMZVCRSA-N 2 1 306.450 3.229 20 0 DGADMP OCCC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCc2ccccc21 ZINC000361266469 433065990 /nfs/dbraw/zinc/06/59/90/433065990.db2.gz NOYPQHZGALLSGL-FQEVSTJZSA-N 2 1 316.489 3.234 20 0 DGADMP FC(F)(F)c1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298321071 433093846 /nfs/dbraw/zinc/09/38/46/433093846.db2.gz IJJBWLYYQFNGLI-UHFFFAOYSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361348332 433122306 /nfs/dbraw/zinc/12/23/06/433122306.db2.gz JMZBITDAOBRTBV-QFBILLFUSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000361348332 433122318 /nfs/dbraw/zinc/12/23/18/433122318.db2.gz JMZBITDAOBRTBV-QFBILLFUSA-N 2 1 302.462 3.056 20 0 DGADMP Clc1ccc2[nH+]ccc(N3CCC4(CC[NH2+]C4)CC3)c2c1 ZINC000420254312 433136869 /nfs/dbraw/zinc/13/68/69/433136869.db2.gz CVWNYFHSVHBSQT-UHFFFAOYSA-N 2 1 301.821 3.468 20 0 DGADMP Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc[nH+]1 ZINC000290679795 433138380 /nfs/dbraw/zinc/13/83/80/433138380.db2.gz SGVINIUEOSSUOU-INIZCTEOSA-N 2 1 311.429 3.223 20 0 DGADMP Cc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc[nH+]1 ZINC000290679795 433138391 /nfs/dbraw/zinc/13/83/91/433138391.db2.gz SGVINIUEOSSUOU-INIZCTEOSA-N 2 1 311.429 3.223 20 0 DGADMP CCC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)c1cc2ccccc2o1 ZINC000420299534 433150426 /nfs/dbraw/zinc/15/04/26/433150426.db2.gz GUHSPNCYJNSNSC-MRXNPFEDSA-N 2 1 315.461 3.111 20 0 DGADMP C[N@@H+](CCCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000453391539 433151123 /nfs/dbraw/zinc/15/11/23/433151123.db2.gz DRZUXIUAABKNSF-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP CC[N@@H+](CCc1cccs1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420297294 433151193 /nfs/dbraw/zinc/15/11/93/433151193.db2.gz CUTCEUHXZDTPOK-INIZCTEOSA-N 2 1 318.486 3.364 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000350156190 433101999 /nfs/dbraw/zinc/10/19/99/433101999.db2.gz QHCSOLPGCNKPQC-CVEARBPZSA-N 2 1 308.441 3.319 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000446839360 433116653 /nfs/dbraw/zinc/11/66/53/433116653.db2.gz RXLBURSWLBZEAK-NEWSRXKRSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000446839360 433116661 /nfs/dbraw/zinc/11/66/61/433116661.db2.gz RXLBURSWLBZEAK-NEWSRXKRSA-N 2 1 304.478 3.300 20 0 DGADMP CCCOc1cc(C[N@@H+](C)CCCn2ccnc2)ccc1OC ZINC000290627121 433120057 /nfs/dbraw/zinc/12/00/57/433120057.db2.gz XRAJDQNRQPYCKC-UHFFFAOYSA-N 2 1 317.433 3.203 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420310131 433156316 /nfs/dbraw/zinc/15/63/16/433156316.db2.gz MEEMMVMXPQGXGF-CQSZACIVSA-N 2 1 311.267 3.331 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(C)s2)cc1 ZINC000420300357 433156866 /nfs/dbraw/zinc/15/68/66/433156866.db2.gz KDARGHQSJZJIRW-OAHLLOKOSA-N 2 1 304.459 3.239 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420315740 433160578 /nfs/dbraw/zinc/16/05/78/433160578.db2.gz LFEDWRHOCTVOOR-MAUKXSAKSA-N 2 1 312.461 3.100 20 0 DGADMP c1cc(C[N@H+](CC[C@H]2CCCO2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420317545 433161057 /nfs/dbraw/zinc/16/10/57/433161057.db2.gz VAWFCHHNQLNASI-IAGOWNOFSA-N 2 1 320.502 3.261 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000453409604 433161161 /nfs/dbraw/zinc/16/11/61/433161161.db2.gz WNVUHEWSQJETAU-GLJUWKHASA-N 2 1 308.441 3.085 20 0 DGADMP CCc1csc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420313984 433161330 /nfs/dbraw/zinc/16/13/30/433161330.db2.gz JPLXLNIAQATACG-CABCVRRESA-N 2 1 307.507 3.275 20 0 DGADMP C[C@H](OCCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298505152 433162040 /nfs/dbraw/zinc/16/20/40/433162040.db2.gz QQKYWMZKQLCIEJ-INIZCTEOSA-N 2 1 302.462 3.371 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC2 ZINC000453406486 433164643 /nfs/dbraw/zinc/16/46/43/433164643.db2.gz RDFVNSUWHCORFB-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321120 433166205 /nfs/dbraw/zinc/16/62/05/433166205.db2.gz CIIPFWQVNOUVDN-KGLIPLIRSA-N 2 1 308.853 3.088 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000420327893 433166661 /nfs/dbraw/zinc/16/66/61/433166661.db2.gz ZBKMNUGMBPBBST-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC12CCOCC2 ZINC000420322352 433167658 /nfs/dbraw/zinc/16/76/58/433167658.db2.gz DUUQLQOZCOSWLL-DYVFJYSZSA-N 2 1 320.864 3.015 20 0 DGADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CC([NH3+])C1 ZINC000420340220 433169687 /nfs/dbraw/zinc/16/96/87/433169687.db2.gz SXVQJSSHYRCMAL-UHFFFAOYSA-N 2 1 323.440 3.104 20 0 DGADMP COC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)c(F)c1 ZINC000453417528 433170443 /nfs/dbraw/zinc/17/04/43/433170443.db2.gz XTXDRCYUORPLIL-KRWDZBQOSA-N 2 1 312.404 3.116 20 0 DGADMP COC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)c(F)c1 ZINC000453417532 433172044 /nfs/dbraw/zinc/17/20/44/433172044.db2.gz XTXDRCYUORPLIL-QGZVFWFLSA-N 2 1 312.404 3.116 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334438 433172184 /nfs/dbraw/zinc/17/21/84/433172184.db2.gz UKZSUSMFZDGJRG-ROUUACIJSA-N 2 1 302.462 3.085 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000453419519 433173146 /nfs/dbraw/zinc/17/31/46/433173146.db2.gz JOCSDPLSJUQGSP-MRXNPFEDSA-N 2 1 312.461 3.397 20 0 DGADMP CC(C)n1cncc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000425336739 433173776 /nfs/dbraw/zinc/17/37/76/433173776.db2.gz LTBWBAIPONEHQR-KDURUIRLSA-N 2 1 324.472 3.028 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000420368309 433181627 /nfs/dbraw/zinc/18/16/27/433181627.db2.gz IAQJWOZKJKQMBF-LJQANCHMSA-N 3 1 309.542 3.066 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@H](C)C1 ZINC000453433523 433182338 /nfs/dbraw/zinc/18/23/38/433182338.db2.gz SPBRCYAWQBVTPT-ZBFHGGJFSA-N 2 1 318.452 3.148 20 0 DGADMP CSc1ccc(OCC[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369687 433183694 /nfs/dbraw/zinc/18/36/94/433183694.db2.gz OKCMAALFZMRICL-KRWDZBQOSA-N 2 1 308.491 3.285 20 0 DGADMP CC(C)[NH+](CC(O)C[N@@H+](CC1CCC1)C(C)C)CC1CCC1 ZINC000447317248 433185043 /nfs/dbraw/zinc/18/50/43/433185043.db2.gz CFQLZJZAYGYTBM-UHFFFAOYSA-N 2 1 310.526 3.368 20 0 DGADMP CCc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420373156 433185524 /nfs/dbraw/zinc/18/55/24/433185524.db2.gz MCGIGHCWOJUETH-PKOBYXMFSA-N 2 1 302.462 3.012 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000336720379 433186451 /nfs/dbraw/zinc/18/64/51/433186451.db2.gz SXRRMGDTAVYBGK-UXHICEINSA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000420373980 433187570 /nfs/dbraw/zinc/18/75/70/433187570.db2.gz ZUEMXSZDTMQKRU-QGZVFWFLSA-N 2 1 313.445 3.131 20 0 DGADMP Cc1ncccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336724050 433188260 /nfs/dbraw/zinc/18/82/60/433188260.db2.gz ULMPWTZJQZZFRZ-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336724050 433188270 /nfs/dbraw/zinc/18/82/70/433188270.db2.gz ULMPWTZJQZZFRZ-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336724050 433188282 /nfs/dbraw/zinc/18/82/82/433188282.db2.gz ULMPWTZJQZZFRZ-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCCOCCc1ccccc1)C1CCCCC1 ZINC000420376852 433188370 /nfs/dbraw/zinc/18/83/70/433188370.db2.gz VMQVBZAQSOOUDH-IBGZPJMESA-N 2 1 304.478 3.133 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402859 433197668 /nfs/dbraw/zinc/19/76/68/433197668.db2.gz QVVNLCCOHVEULT-CRAIPNDOSA-N 2 1 313.420 3.338 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420406882 433198369 /nfs/dbraw/zinc/19/83/69/433198369.db2.gz USVSGYQJSXODAJ-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2cccs2)n1 ZINC000453594312 433222447 /nfs/dbraw/zinc/22/24/47/433222447.db2.gz HUHLVEYWVWDLJA-UHFFFAOYSA-N 2 1 318.490 3.113 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3sccc3[C@@H]2C)CC1 ZINC000337339890 433226703 /nfs/dbraw/zinc/22/67/03/433226703.db2.gz SDNAYQYZVATIND-INIZCTEOSA-N 2 1 321.534 3.083 20 0 DGADMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1SC ZINC000453604293 433228922 /nfs/dbraw/zinc/22/89/22/433228922.db2.gz YXBANLAFHIPSOR-UHFFFAOYSA-N 2 1 308.491 3.381 20 0 DGADMP CCOC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374601232 433235693 /nfs/dbraw/zinc/23/56/93/433235693.db2.gz GZIWVGCLMDKWGG-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP CCOC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374601232 433235701 /nfs/dbraw/zinc/23/57/01/433235701.db2.gz GZIWVGCLMDKWGG-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]([NH2+]CCOC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374771219 433274625 /nfs/dbraw/zinc/27/46/25/433274625.db2.gz KQVDEIBGMOATTI-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000420931017 433325667 /nfs/dbraw/zinc/32/56/67/433325667.db2.gz CZISMZDQTUYSRK-YLJYHZDGSA-N 2 1 316.489 3.123 20 0 DGADMP c1cc(C[N@@H+]2CCCC3(CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420966773 433353739 /nfs/dbraw/zinc/35/37/39/433353739.db2.gz ROKOIBQMDLPMTK-UHFFFAOYSA-N 2 1 314.473 3.285 20 0 DGADMP c1cc(C[N@H+]2CCCC3(CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420966773 433353749 /nfs/dbraw/zinc/35/37/49/433353749.db2.gz ROKOIBQMDLPMTK-UHFFFAOYSA-N 2 1 314.473 3.285 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448034456 433354472 /nfs/dbraw/zinc/35/44/72/433354472.db2.gz ITURDFLPSZFTAH-SQNIBIBYSA-N 2 1 318.509 3.300 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000420986455 433364392 /nfs/dbraw/zinc/36/43/92/433364392.db2.gz YMJXUFFJLVRAKN-GOSISDBHSA-N 2 1 315.505 3.240 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000414060139 433369619 /nfs/dbraw/zinc/36/96/19/433369619.db2.gz JBYAALVDMQKYCW-MRXNPFEDSA-N 2 1 319.493 3.265 20 0 DGADMP COCCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000281633369 433329194 /nfs/dbraw/zinc/32/91/94/433329194.db2.gz DGPYINSTRJCDKK-BEFAXECRSA-N 2 1 320.452 3.367 20 0 DGADMP C[NH+](C)Cc1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1Cl ZINC000291731256 433331062 /nfs/dbraw/zinc/33/10/62/433331062.db2.gz ROKNHHKNBHNEKP-UHFFFAOYSA-N 2 1 323.868 3.072 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341884082 433335278 /nfs/dbraw/zinc/33/52/78/433335278.db2.gz KACSRSSHMBLLFK-OJAHFUOMSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341884082 433335287 /nfs/dbraw/zinc/33/52/87/433335287.db2.gz KACSRSSHMBLLFK-OJAHFUOMSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](c1ccccn1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354876664 433336492 /nfs/dbraw/zinc/33/64/92/433336492.db2.gz MQJPVACOWXJZHE-MRXNPFEDSA-N 2 1 310.445 3.386 20 0 DGADMP CC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000361678690 433337963 /nfs/dbraw/zinc/33/79/63/433337963.db2.gz QFDFEMZEKAHCDD-RTBURBONSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)COC1 ZINC000361678690 433337968 /nfs/dbraw/zinc/33/79/68/433337968.db2.gz QFDFEMZEKAHCDD-RTBURBONSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)COC1 ZINC000361678690 433337977 /nfs/dbraw/zinc/33/79/77/433337977.db2.gz QFDFEMZEKAHCDD-RTBURBONSA-N 2 1 314.473 3.009 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000339067966 433341143 /nfs/dbraw/zinc/34/11/43/433341143.db2.gz OSAQYNPEDKNYIO-ARFHVFGLSA-N 2 1 318.461 3.290 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC[N@H+]1C ZINC000281933257 433431922 /nfs/dbraw/zinc/43/19/22/433431922.db2.gz BCFGVKIUZOORQJ-CZUORRHYSA-N 2 1 303.425 3.312 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000414081183 433384096 /nfs/dbraw/zinc/38/40/96/433384096.db2.gz UGUILNKLWPOXTF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000414081183 433384103 /nfs/dbraw/zinc/38/41/03/433384103.db2.gz UGUILNKLWPOXTF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(Cl)n2C)c1 ZINC000281802674 433384519 /nfs/dbraw/zinc/38/45/19/433384519.db2.gz VMJAUSGQXMFJAO-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP COC1(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000339140066 433389134 /nfs/dbraw/zinc/38/91/34/433389134.db2.gz KCWXWNJYWOLQGH-KDURUIRLSA-N 2 1 314.473 3.009 20 0 DGADMP COC1(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000339140066 433389141 /nfs/dbraw/zinc/38/91/41/433389141.db2.gz KCWXWNJYWOLQGH-KDURUIRLSA-N 2 1 314.473 3.009 20 0 DGADMP COC1(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000339140066 433389150 /nfs/dbraw/zinc/38/91/50/433389150.db2.gz KCWXWNJYWOLQGH-KDURUIRLSA-N 2 1 314.473 3.009 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1C[C@@H]1C ZINC000414098196 433392853 /nfs/dbraw/zinc/39/28/53/433392853.db2.gz ISWSPUFBDGJVHO-ZLIFDBKOSA-N 2 1 302.466 3.086 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361876218 433432890 /nfs/dbraw/zinc/43/28/90/433432890.db2.gz DEKSILTUAFVBLG-GHTZIAJQSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876218 433432896 /nfs/dbraw/zinc/43/28/96/433432896.db2.gz DEKSILTUAFVBLG-GHTZIAJQSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1cc(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000301076697 433406667 /nfs/dbraw/zinc/40/66/67/433406667.db2.gz HGAHPWJRRLEZLM-UHFFFAOYSA-N 2 1 310.445 3.342 20 0 DGADMP Cc1cc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000301076697 433406675 /nfs/dbraw/zinc/40/66/75/433406675.db2.gz HGAHPWJRRLEZLM-UHFFFAOYSA-N 2 1 310.445 3.342 20 0 DGADMP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000301095133 433415135 /nfs/dbraw/zinc/41/51/35/433415135.db2.gz IPIKEHPDIUAHHB-HNNXBMFYSA-N 2 1 316.474 3.479 20 0 DGADMP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000301095133 433415145 /nfs/dbraw/zinc/41/51/45/433415145.db2.gz IPIKEHPDIUAHHB-HNNXBMFYSA-N 2 1 316.474 3.479 20 0 DGADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414171503 433436475 /nfs/dbraw/zinc/43/64/75/433436475.db2.gz CYGMYKSNIKSXOA-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414173430 433436631 /nfs/dbraw/zinc/43/66/31/433436631.db2.gz GGSOAYUFLYHZDT-ZIAGYGMSSA-N 2 1 307.507 3.404 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000414177088 433440529 /nfs/dbraw/zinc/44/05/29/433440529.db2.gz JNFUSXVERDUCPJ-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000414177110 433442773 /nfs/dbraw/zinc/44/27/73/433442773.db2.gz JPQYOWZCECHPMI-GJZGRUSLSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000414180384 433444438 /nfs/dbraw/zinc/44/44/38/433444438.db2.gz LZJRYEKPHOXBTM-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414210627 433462296 /nfs/dbraw/zinc/46/22/96/433462296.db2.gz NOMNAWVCCQECTI-IVDHNXQLSA-N 2 1 314.473 3.339 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414185472 433449574 /nfs/dbraw/zinc/44/95/74/433449574.db2.gz OPTIQQKQVQKVPD-QAPCUYQASA-N 2 1 318.461 3.230 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000414186101 433449660 /nfs/dbraw/zinc/44/96/60/433449660.db2.gz OXBHCBFIWFSHEO-YLJYHZDGSA-N 2 1 309.457 3.493 20 0 DGADMP CC[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000355079688 433450191 /nfs/dbraw/zinc/45/01/91/433450191.db2.gz LMJRECIBPYRTIU-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414195913 433453083 /nfs/dbraw/zinc/45/30/83/433453083.db2.gz JMHBKZIUBRCGIS-IJXRJRJASA-N 2 1 316.489 3.159 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000414193470 433455171 /nfs/dbraw/zinc/45/51/71/433455171.db2.gz UAGZAJQUYYBFQS-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c(C)c1OC ZINC000342083413 433456561 /nfs/dbraw/zinc/45/65/61/433456561.db2.gz LRZUQFWWCFEBCW-UHFFFAOYSA-N 2 1 320.477 3.224 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2CCOC)c1 ZINC000282031833 433472456 /nfs/dbraw/zinc/47/24/56/433472456.db2.gz FNLNPLKMLYZPGS-OALUTQOASA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OCC1CC1 ZINC000414234915 433474110 /nfs/dbraw/zinc/47/41/10/433474110.db2.gz CTQWFRDVNFCJCN-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292131862 433474274 /nfs/dbraw/zinc/47/42/74/433474274.db2.gz LIQGGXGPLFZGDH-RBUKOAKNSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292131862 433474283 /nfs/dbraw/zinc/47/42/83/433474283.db2.gz LIQGGXGPLFZGDH-RBUKOAKNSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292131862 433474291 /nfs/dbraw/zinc/47/42/91/433474291.db2.gz LIQGGXGPLFZGDH-RBUKOAKNSA-N 2 1 302.462 3.180 20 0 DGADMP COc1ccc2oc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000362074769 433512800 /nfs/dbraw/zinc/51/28/00/433512800.db2.gz BGJBSAHBEZTLOO-HUUCEWRRSA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000362074769 433512809 /nfs/dbraw/zinc/51/28/09/433512809.db2.gz BGJBSAHBEZTLOO-HUUCEWRRSA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000362074769 433512811 /nfs/dbraw/zinc/51/28/11/433512811.db2.gz BGJBSAHBEZTLOO-HUUCEWRRSA-N 2 1 300.402 3.158 20 0 DGADMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000351471149 433518008 /nfs/dbraw/zinc/51/80/08/433518008.db2.gz HYIMBLMSXOZCJJ-LJQANCHMSA-N 2 1 317.521 3.315 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000362099554 433527359 /nfs/dbraw/zinc/52/73/59/433527359.db2.gz RFJAYEYDGGHCET-KRWDZBQOSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000362099554 433527367 /nfs/dbraw/zinc/52/73/67/433527367.db2.gz RFJAYEYDGGHCET-KRWDZBQOSA-N 2 1 319.836 3.388 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@H]12 ZINC000351490587 433528374 /nfs/dbraw/zinc/52/83/74/433528374.db2.gz IJWZCLWJUWDBFH-WKPIXPDZSA-N 2 1 315.244 3.041 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(F)F)c1 ZINC000375607987 433504679 /nfs/dbraw/zinc/50/46/79/433504679.db2.gz PJXPTWHFNSDEPD-IKGGRYGDSA-N 2 1 324.415 3.308 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(F)F)c1 ZINC000375607987 433504690 /nfs/dbraw/zinc/50/46/90/433504690.db2.gz PJXPTWHFNSDEPD-IKGGRYGDSA-N 2 1 324.415 3.308 20 0 DGADMP CC[NH+](CC)CCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000351407149 433506113 /nfs/dbraw/zinc/50/61/13/433506113.db2.gz FFTJUXZVIRGORN-RTBURBONSA-N 2 1 309.542 3.305 20 0 DGADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000414280290 433509165 /nfs/dbraw/zinc/50/91/65/433509165.db2.gz CNNFNWLNABMPRM-UHFFFAOYSA-N 2 1 312.461 3.169 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000339428146 433574590 /nfs/dbraw/zinc/57/45/90/433574590.db2.gz MZVYIKRTVDKUFR-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428146 433574599 /nfs/dbraw/zinc/57/45/99/433574599.db2.gz MZVYIKRTVDKUFR-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428146 433574605 /nfs/dbraw/zinc/57/46/05/433574605.db2.gz MZVYIKRTVDKUFR-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428146 433574611 /nfs/dbraw/zinc/57/46/11/433574611.db2.gz MZVYIKRTVDKUFR-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428146 433574618 /nfs/dbraw/zinc/57/46/18/433574618.db2.gz MZVYIKRTVDKUFR-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339430300 433578950 /nfs/dbraw/zinc/57/89/50/433578950.db2.gz SWBWBFHLKIHJJV-HOCLYGCPSA-N 2 1 316.424 3.146 20 0 DGADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3OC(F)F)C2)C1 ZINC000339432972 433580726 /nfs/dbraw/zinc/58/07/26/433580726.db2.gz IDSWWCLJFBTBIB-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439630 433584285 /nfs/dbraw/zinc/58/42/85/433584285.db2.gz JCUZKBLTHLYPCM-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439630 433584296 /nfs/dbraw/zinc/58/42/96/433584296.db2.gz JCUZKBLTHLYPCM-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439630 433584305 /nfs/dbraw/zinc/58/43/05/433584305.db2.gz JCUZKBLTHLYPCM-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439630 433584313 /nfs/dbraw/zinc/58/43/13/433584313.db2.gz JCUZKBLTHLYPCM-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000375840402 433584720 /nfs/dbraw/zinc/58/47/20/433584720.db2.gz PFSMMGZXBIXQSR-HRCADAONSA-N 2 1 310.388 3.250 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccs1 ZINC000351573582 433586973 /nfs/dbraw/zinc/58/69/73/433586973.db2.gz LBDOOWOHNFJHTO-NVXWUHKLSA-N 2 1 310.507 3.270 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccs1 ZINC000351573582 433586984 /nfs/dbraw/zinc/58/69/84/433586984.db2.gz LBDOOWOHNFJHTO-NVXWUHKLSA-N 2 1 310.507 3.270 20 0 DGADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000414381744 433588276 /nfs/dbraw/zinc/58/82/76/433588276.db2.gz MQPDUXKXWBRWRS-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301510419 433589047 /nfs/dbraw/zinc/58/90/47/433589047.db2.gz IJLVMSNETQTHQI-OAHLLOKOSA-N 2 1 317.408 3.143 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351578154 433594399 /nfs/dbraw/zinc/59/43/99/433594399.db2.gz GXDCOQHDWMTTRQ-HKUYNNGSSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351578154 433594406 /nfs/dbraw/zinc/59/44/06/433594406.db2.gz GXDCOQHDWMTTRQ-HKUYNNGSSA-N 2 1 304.478 3.127 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C)nn2)CC1)CC1CC1 ZINC000414393855 433592718 /nfs/dbraw/zinc/59/27/18/433592718.db2.gz AMZXPDJTBZDBNJ-UHFFFAOYSA-N 2 1 316.493 3.119 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000351633062 433629225 /nfs/dbraw/zinc/62/92/25/433629225.db2.gz YFAZOLFDMMANRS-KRWDZBQOSA-N 2 1 302.462 3.316 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000351633062 433629232 /nfs/dbraw/zinc/62/92/32/433629232.db2.gz YFAZOLFDMMANRS-KRWDZBQOSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000376002841 433636243 /nfs/dbraw/zinc/63/62/43/433636243.db2.gz GBMAWTRUMGFLQT-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002841 433636251 /nfs/dbraw/zinc/63/62/51/433636251.db2.gz GBMAWTRUMGFLQT-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002841 433636259 /nfs/dbraw/zinc/63/62/59/433636259.db2.gz GBMAWTRUMGFLQT-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999883 433645148 /nfs/dbraw/zinc/64/51/48/433645148.db2.gz NTITXENNBBBJEE-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999883 433645159 /nfs/dbraw/zinc/64/51/59/433645159.db2.gz NTITXENNBBBJEE-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163807414 292871197 /nfs/dbraw/zinc/87/11/97/292871197.db2.gz MOJBQPXJJWNFIU-YLJYHZDGSA-N 2 1 318.505 3.080 20 0 DGADMP CSC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000356521395 433600533 /nfs/dbraw/zinc/60/05/33/433600533.db2.gz HFRCEZRQIXYZEX-QZTJIDSGSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000356521395 433600542 /nfs/dbraw/zinc/60/05/42/433600542.db2.gz HFRCEZRQIXYZEX-QZTJIDSGSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000356521395 433600552 /nfs/dbraw/zinc/60/05/52/433600552.db2.gz HFRCEZRQIXYZEX-QZTJIDSGSA-N 2 1 316.514 3.336 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527004 433605273 /nfs/dbraw/zinc/60/52/73/433605273.db2.gz NMUBFLXUTFZPNU-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527004 433605286 /nfs/dbraw/zinc/60/52/86/433605286.db2.gz NMUBFLXUTFZPNU-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527004 433605294 /nfs/dbraw/zinc/60/52/94/433605294.db2.gz NMUBFLXUTFZPNU-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527004 433605306 /nfs/dbraw/zinc/60/53/06/433605306.db2.gz NMUBFLXUTFZPNU-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP [NH3+]Cc1ccc(-c2noc([C@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000414482042 433652860 /nfs/dbraw/zinc/65/28/60/433652860.db2.gz CUSFLHZNKMUCIY-OAHLLOKOSA-N 2 1 300.406 3.166 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000376084142 433660163 /nfs/dbraw/zinc/66/01/63/433660163.db2.gz SMRSERVPXHXDGZ-SQNIBIBYSA-N 2 1 318.509 3.156 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000449012799 433660675 /nfs/dbraw/zinc/66/06/75/433660675.db2.gz HDIDIOIOCJKRRA-KRWDZBQOSA-N 2 1 318.461 3.012 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000449012799 433660682 /nfs/dbraw/zinc/66/06/82/433660682.db2.gz HDIDIOIOCJKRRA-KRWDZBQOSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000449012799 433660692 /nfs/dbraw/zinc/66/06/92/433660692.db2.gz HDIDIOIOCJKRRA-KRWDZBQOSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000449012799 433660702 /nfs/dbraw/zinc/66/07/02/433660702.db2.gz HDIDIOIOCJKRRA-KRWDZBQOSA-N 2 1 318.461 3.012 20 0 DGADMP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cs1 ZINC000449018720 433673824 /nfs/dbraw/zinc/67/38/24/433673824.db2.gz KVRBJMOFPURNPS-HOTGVXAUSA-N 2 1 321.534 3.047 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034901 433693073 /nfs/dbraw/zinc/69/30/73/433693073.db2.gz FMJNXIAJJOLTTJ-KRWDZBQOSA-N 2 1 318.461 3.012 20 0 DGADMP COc1cc(F)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000449024486 433678938 /nfs/dbraw/zinc/67/89/38/433678938.db2.gz BCLJEWCTBOCYHV-UHFFFAOYSA-N 2 1 317.408 3.023 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000362385980 433679129 /nfs/dbraw/zinc/67/91/29/433679129.db2.gz MQVVDDQSJOMPCB-IAGOWNOFSA-N 2 1 302.462 3.216 20 0 DGADMP COC[C@H](NCc1cccc2nccn21)c1cccc(Cl)c1 ZINC000342421599 433680562 /nfs/dbraw/zinc/68/05/62/433680562.db2.gz PKCBGFBOYZQMST-INIZCTEOSA-N 2 1 315.804 3.465 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427099798 433650375 /nfs/dbraw/zinc/65/03/75/433650375.db2.gz IKARXCJVMDTVDC-IEBWSBKVSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427099798 433650387 /nfs/dbraw/zinc/65/03/87/433650387.db2.gz IKARXCJVMDTVDC-IEBWSBKVSA-N 2 1 302.462 3.295 20 0 DGADMP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000367189408 293035852 /nfs/dbraw/zinc/03/58/52/293035852.db2.gz WEFLAQHJIUFQNN-BNEJOLLZSA-N 2 1 306.400 3.427 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccnn2C)c1 ZINC000367229385 293040977 /nfs/dbraw/zinc/04/09/77/293040977.db2.gz DVHORZPLRBTQMM-ROUUACIJSA-N 2 1 324.472 3.112 20 0 DGADMP CCOC1CC(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000367545274 293086102 /nfs/dbraw/zinc/08/61/02/293086102.db2.gz UOMDGAPHSORGNC-FKAKGIQBSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCOC1 ZINC000356783312 433695874 /nfs/dbraw/zinc/69/58/74/433695874.db2.gz LNMWJHOCUHLFTA-LCLWPZTBSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCOC1 ZINC000356783312 433695878 /nfs/dbraw/zinc/69/58/78/433695878.db2.gz LNMWJHOCUHLFTA-LCLWPZTBSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000367754752 293093390 /nfs/dbraw/zinc/09/33/90/293093390.db2.gz QLJLTEJECSIBJB-SFHVURJKSA-N 2 1 313.445 3.237 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C)nc2)CC1)CC(C)C ZINC000351757506 433707669 /nfs/dbraw/zinc/70/76/69/433707669.db2.gz NSBWJGOWNIKHQM-UHFFFAOYSA-N 2 1 318.509 3.365 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374326195 293384906 /nfs/dbraw/zinc/38/49/06/293384906.db2.gz DFXZUHPCUKSUJW-ZACQAIPSSA-N 2 1 308.510 3.292 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1 ZINC000374423800 293398383 /nfs/dbraw/zinc/39/83/83/293398383.db2.gz XVSWNWLASKCOHP-IKGGRYGDSA-N 2 1 308.853 3.024 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1 ZINC000374423800 293398385 /nfs/dbraw/zinc/39/83/85/293398385.db2.gz XVSWNWLASKCOHP-IKGGRYGDSA-N 2 1 308.853 3.024 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)nc(C)[nH+]1 ZINC000449226948 433729189 /nfs/dbraw/zinc/72/91/89/433729189.db2.gz SQVXSEGSYRNESR-QGZVFWFLSA-N 2 1 314.477 3.375 20 0 DGADMP CO[C@@H]1CCC[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000351824955 433741401 /nfs/dbraw/zinc/74/14/01/433741401.db2.gz URVPCKSJTBPNLF-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP CO[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000351824955 433741428 /nfs/dbraw/zinc/74/14/28/433741428.db2.gz URVPCKSJTBPNLF-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP CO[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000351824955 433741437 /nfs/dbraw/zinc/74/14/37/433741437.db2.gz URVPCKSJTBPNLF-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)C1CCCCC1 ZINC000421819140 433746185 /nfs/dbraw/zinc/74/61/85/433746185.db2.gz FJDHKYDNEBAUBI-AZUAARDMSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857020 433756841 /nfs/dbraw/zinc/75/68/41/433756841.db2.gz ANDJOCHPDVDLLX-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857020 433756850 /nfs/dbraw/zinc/75/68/50/433756850.db2.gz ANDJOCHPDVDLLX-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857052 433758468 /nfs/dbraw/zinc/75/84/68/433758468.db2.gz AVVGLNOVDOVRRZ-WDYCEAGBSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857052 433758480 /nfs/dbraw/zinc/75/84/80/433758480.db2.gz AVVGLNOVDOVRRZ-WDYCEAGBSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000449153999 433723442 /nfs/dbraw/zinc/72/34/42/433723442.db2.gz LLBGLNXWQQEZOH-OAHLLOKOSA-N 2 1 316.445 3.064 20 0 DGADMP Cc1cc(Cl)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432345765 433824066 /nfs/dbraw/zinc/82/40/66/433824066.db2.gz JEYQNOIPXCWPLW-OAHLLOKOSA-N 2 1 310.869 3.239 20 0 DGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000449772229 433784547 /nfs/dbraw/zinc/78/45/47/433784547.db2.gz KQUXTYJTTWCBFY-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP CCN(CC)CC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414683536 433787717 /nfs/dbraw/zinc/78/77/17/433787717.db2.gz UBSBPORBOVCBKF-SJORKVTESA-N 2 1 323.550 3.280 20 0 DGADMP CCN(CC)CC[N@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414683536 433787726 /nfs/dbraw/zinc/78/77/26/433787726.db2.gz UBSBPORBOVCBKF-SJORKVTESA-N 2 1 323.550 3.280 20 0 DGADMP CCN(CC)CC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414683534 433788698 /nfs/dbraw/zinc/78/86/98/433788698.db2.gz UBSBPORBOVCBKF-IRXDYDNUSA-N 2 1 323.550 3.280 20 0 DGADMP CCN(CC)CC[N@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414683534 433788702 /nfs/dbraw/zinc/78/87/02/433788702.db2.gz UBSBPORBOVCBKF-IRXDYDNUSA-N 2 1 323.550 3.280 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414696059 433795760 /nfs/dbraw/zinc/79/57/60/433795760.db2.gz AVLXRWIPWQXJJI-HZPDHXFCSA-N 2 1 302.462 3.222 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+]1C ZINC000431335394 433807212 /nfs/dbraw/zinc/80/72/12/433807212.db2.gz YTXYMPQNBTXNDB-BJZITVGISA-N 2 1 314.473 3.461 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+]1C ZINC000431335394 433807222 /nfs/dbraw/zinc/80/72/22/433807222.db2.gz YTXYMPQNBTXNDB-BJZITVGISA-N 2 1 314.473 3.461 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000376740332 433809957 /nfs/dbraw/zinc/80/99/57/433809957.db2.gz SYIYLWXZCUBGAI-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP COCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293655522 433814667 /nfs/dbraw/zinc/81/46/67/433814667.db2.gz LPQPHCSGULAYHB-AEFFLSMTSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC[NH2+]1 ZINC000414744381 433815982 /nfs/dbraw/zinc/81/59/82/433815982.db2.gz IFRRGEFKVVHAGB-HOJAQTOUSA-N 2 1 316.489 3.098 20 0 DGADMP CCCOc1c(Cl)cc(C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414764825 433819655 /nfs/dbraw/zinc/81/96/55/433819655.db2.gz BCYAUVOEUBGSQN-UHFFFAOYSA-N 2 1 312.841 3.059 20 0 DGADMP CCCOc1c(Cl)cc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414764825 433819661 /nfs/dbraw/zinc/81/96/61/433819661.db2.gz BCYAUVOEUBGSQN-UHFFFAOYSA-N 2 1 312.841 3.059 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]1 ZINC000414758668 433819907 /nfs/dbraw/zinc/81/99/07/433819907.db2.gz VINGFAYOOSFVEF-NUJGCVRESA-N 2 1 320.452 3.195 20 0 DGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768068 433826754 /nfs/dbraw/zinc/82/67/54/433826754.db2.gz LBSGIDAQLKIXLA-CALCHBBNSA-N 2 1 302.462 3.297 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc2O1 ZINC000414781953 433830682 /nfs/dbraw/zinc/83/06/82/433830682.db2.gz NUSOYVHSOHFGJK-SJORKVTESA-N 2 1 314.473 3.222 20 0 DGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414782059 433830983 /nfs/dbraw/zinc/83/09/83/433830983.db2.gz NYQNFHUVLWESFS-KNULBASVSA-N 2 1 306.400 3.300 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414781550 433831434 /nfs/dbraw/zinc/83/14/34/433831434.db2.gz NEOLSYSGFSLKSP-OLZOCXBDSA-N 2 1 319.449 3.257 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789654 433832529 /nfs/dbraw/zinc/83/25/29/433832529.db2.gz YJXUHJCBAIVOFQ-KBPBESRZSA-N 2 1 310.388 3.110 20 0 DGADMP CO[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000293713444 433839282 /nfs/dbraw/zinc/83/92/82/433839282.db2.gz MYRGVNHTWFHSMK-SOAGJPPSSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357048447 433842788 /nfs/dbraw/zinc/84/27/88/433842788.db2.gz KJMJTGIGDRLCIC-AWEZNQCLSA-N 2 1 307.507 3.262 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344008189 433844736 /nfs/dbraw/zinc/84/47/36/433844736.db2.gz AEGQRDZHCDASLZ-OAHLLOKOSA-N 2 1 311.901 3.216 20 0 DGADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414801396 433845059 /nfs/dbraw/zinc/84/50/59/433845059.db2.gz GXOFHGJAVWVHDV-IAQYHMDHSA-N 2 1 300.368 3.353 20 0 DGADMP Cc1nc(COc2ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc2)cs1 ZINC000414797713 433845611 /nfs/dbraw/zinc/84/56/11/433845611.db2.gz PJVZUKSANRDIJF-QGZVFWFLSA-N 2 1 319.474 3.103 20 0 DGADMP Cc1ccc(COc2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)cc2)cc1 ZINC000414796244 433845690 /nfs/dbraw/zinc/84/56/90/433845690.db2.gz HERRHQUSIQAHBK-FQEVSTJZSA-N 2 1 310.441 3.401 20 0 DGADMP CC(C)C[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284164709 433851865 /nfs/dbraw/zinc/85/18/65/433851865.db2.gz PZDCVCMAZPDHKQ-IOJLRTSASA-N 2 1 318.505 3.426 20 0 DGADMP c1c[nH]c([C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc2)n1 ZINC000293756644 433855149 /nfs/dbraw/zinc/85/51/49/433855149.db2.gz QVZCMIXNQMIVMV-SFHVURJKSA-N 2 1 312.461 3.355 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000414826768 433861331 /nfs/dbraw/zinc/86/13/31/433861331.db2.gz WNEVLZILPQYVSF-QWRGUYRKSA-N 2 1 317.296 3.297 20 0 DGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F ZINC000414831068 433869791 /nfs/dbraw/zinc/86/97/91/433869791.db2.gz PIMPLZDQVNMXSO-FOSCPWQOSA-N 2 1 302.315 3.217 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414837272 433871648 /nfs/dbraw/zinc/87/16/48/433871648.db2.gz JJUKFSORSLFLSL-CXAGYDPISA-N 2 1 321.440 3.040 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000284509856 433899792 /nfs/dbraw/zinc/89/97/92/433899792.db2.gz VNUMCISRVMZFMZ-PKOBYXMFSA-N 2 1 302.462 3.182 20 0 DGADMP COc1cccc2c(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc(C)nc12 ZINC000352090173 433903664 /nfs/dbraw/zinc/90/36/64/433903664.db2.gz WKXXZSSZOAUEOA-WMLDXEAASA-N 2 1 311.429 3.082 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)CCC1 ZINC000414890218 433905249 /nfs/dbraw/zinc/90/52/49/433905249.db2.gz UBMQSSHTTJNTJW-UHFFFAOYSA-N 2 1 314.404 3.376 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccc(Br)cc2F)CCC[NH2+]C1 ZINC000414900200 433907521 /nfs/dbraw/zinc/90/75/21/433907521.db2.gz HZAMYXAFMPDTKZ-CQSZACIVSA-N 2 1 315.230 3.068 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)s2)o1 ZINC000414903841 433908696 /nfs/dbraw/zinc/90/86/96/433908696.db2.gz MLKCGANFMWVARQ-INIZCTEOSA-N 2 1 305.447 3.191 20 0 DGADMP C[C@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233408 433918633 /nfs/dbraw/zinc/91/86/33/433918633.db2.gz PQMDSSRDAGZGTM-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]CC1(C)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233403 433918855 /nfs/dbraw/zinc/91/88/55/433918855.db2.gz PQMDSSRDAGZGTM-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414929815 433920292 /nfs/dbraw/zinc/92/02/92/433920292.db2.gz PBJJAYFULMWABH-NVXWUHKLSA-N 2 1 317.477 3.080 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000414934010 433921596 /nfs/dbraw/zinc/92/15/96/433921596.db2.gz XOTZVIIHPNIJJB-RYUDHWBXSA-N 2 1 317.658 3.462 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352116815 433922250 /nfs/dbraw/zinc/92/22/50/433922250.db2.gz AIGYBRRHIFAHBO-UHFFFAOYSA-N 2 1 310.869 3.144 20 0 DGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414935722 433927329 /nfs/dbraw/zinc/92/73/29/433927329.db2.gz UQIUQTQYMQVFQQ-JMSVASOKSA-N 2 1 300.368 3.397 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1O ZINC000414841125 433880099 /nfs/dbraw/zinc/88/00/99/433880099.db2.gz MZSNKFKTXYSDJV-YOEHRIQHSA-N 2 1 320.477 3.219 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000284317185 433883198 /nfs/dbraw/zinc/88/31/98/433883198.db2.gz LQJDFHKDLUUFNG-LBPRGKRZSA-N 2 1 323.868 3.269 20 0 DGADMP CC(C)C[C@H](C[NH3+])NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414854308 433884304 /nfs/dbraw/zinc/88/43/04/433884304.db2.gz UTWNCESFYYCRNT-QGZVFWFLSA-N 2 1 323.912 3.267 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293823447 433885385 /nfs/dbraw/zinc/88/53/85/433885385.db2.gz WMXTYNGSGJJHIJ-IIAWOOMASA-N 2 1 316.424 3.145 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293823447 433885393 /nfs/dbraw/zinc/88/53/93/433885393.db2.gz WMXTYNGSGJJHIJ-IIAWOOMASA-N 2 1 316.424 3.145 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856156 433888357 /nfs/dbraw/zinc/88/83/57/433888357.db2.gz YIQGBUAXHGMJCM-WMLDXEAASA-N 2 1 318.461 3.234 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414855901 433889114 /nfs/dbraw/zinc/88/91/14/433889114.db2.gz XVGCIDDMPUOJBI-WMLDXEAASA-N 2 1 320.477 3.132 20 0 DGADMP Fc1ccc(C(C[NH2+][C@H]2CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000414860294 433891322 /nfs/dbraw/zinc/89/13/22/433891322.db2.gz CJUJHEADOPWXDU-SFHVURJKSA-N 2 1 316.395 3.438 20 0 DGADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293962232 433943788 /nfs/dbraw/zinc/94/37/88/433943788.db2.gz ZXNJNFIBMAOOLN-SNVBAGLBSA-N 2 1 303.269 3.039 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414965571 433946381 /nfs/dbraw/zinc/94/63/81/433946381.db2.gz NKZNBSZPGZJHRN-HOJAQTOUSA-N 3 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414965571 433946390 /nfs/dbraw/zinc/94/63/90/433946390.db2.gz NKZNBSZPGZJHRN-HOJAQTOUSA-N 3 1 315.505 3.161 20 0 DGADMP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000422717750 433946678 /nfs/dbraw/zinc/94/66/78/433946678.db2.gz PBPVLISHJGOTDL-FGTMMUONSA-N 2 1 312.461 3.043 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422726957 433949439 /nfs/dbraw/zinc/94/94/39/433949439.db2.gz AYTLTEDVZFQVIB-QRWLVFNGSA-N 2 1 307.441 3.259 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000414975052 433949941 /nfs/dbraw/zinc/94/99/41/433949941.db2.gz FQGUDTQDVLOFQB-INIZCTEOSA-N 2 1 314.429 3.198 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726815 433951556 /nfs/dbraw/zinc/95/15/56/433951556.db2.gz GAILOALACROPKN-BXWFABGCSA-N 2 1 317.521 3.175 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422726815 433951563 /nfs/dbraw/zinc/95/15/63/433951563.db2.gz GAILOALACROPKN-BXWFABGCSA-N 2 1 317.521 3.175 20 0 DGADMP COc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1OC ZINC000422725734 433952213 /nfs/dbraw/zinc/95/22/13/433952213.db2.gz YPBQKPBREHTOEE-ZBFHGGJFSA-N 2 1 306.450 3.104 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000414979495 433952928 /nfs/dbraw/zinc/95/29/28/433952928.db2.gz VHKJVFKIYJELFT-OAHLLOKOSA-N 2 1 303.837 3.366 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414980023 433953812 /nfs/dbraw/zinc/95/38/12/433953812.db2.gz WCDYPCDUOWUWAE-HNNXBMFYSA-N 2 1 301.459 3.288 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000414979493 433954774 /nfs/dbraw/zinc/95/47/74/433954774.db2.gz VHKJVFKIYJELFT-HNNXBMFYSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340174442 433958568 /nfs/dbraw/zinc/95/85/68/433958568.db2.gz UVHGLXSLDUVESU-FUHWJXTLSA-N 2 1 315.486 3.419 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340174442 433958577 /nfs/dbraw/zinc/95/85/77/433958577.db2.gz UVHGLXSLDUVESU-FUHWJXTLSA-N 2 1 315.486 3.419 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000422737732 433959470 /nfs/dbraw/zinc/95/94/70/433959470.db2.gz HQSCVNWQROEILD-DOXZYTNZSA-N 2 1 318.509 3.010 20 0 DGADMP COc1ccc(CCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422741690 433967804 /nfs/dbraw/zinc/96/78/04/433967804.db2.gz QAEVLOLCQPMCMA-OXQOHEQNSA-N 2 1 312.457 3.176 20 0 DGADMP COc1ccccc1CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285483252 433968287 /nfs/dbraw/zinc/96/82/87/433968287.db2.gz LNKUSDGVVHJVCI-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285483252 433968294 /nfs/dbraw/zinc/96/82/94/433968294.db2.gz LNKUSDGVVHJVCI-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285483252 433968301 /nfs/dbraw/zinc/96/83/01/433968301.db2.gz LNKUSDGVVHJVCI-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750142 433970313 /nfs/dbraw/zinc/97/03/13/433970313.db2.gz ABUHWOSIZVJHAN-NCXUSEDFSA-N 2 1 321.553 3.397 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750142 433970325 /nfs/dbraw/zinc/97/03/25/433970325.db2.gz ABUHWOSIZVJHAN-NCXUSEDFSA-N 2 1 321.553 3.397 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422749332 433970463 /nfs/dbraw/zinc/97/04/63/433970463.db2.gz YQFXJCLJOLVYOZ-AZCLRUCKSA-N 2 1 313.489 3.085 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340191426 433973061 /nfs/dbraw/zinc/97/30/61/433973061.db2.gz PONMRPAHXBONSD-RTBURBONSA-N 2 1 312.461 3.007 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCCC2)C[C@H]1c1ccccc1 ZINC000340199868 433980995 /nfs/dbraw/zinc/98/09/95/433980995.db2.gz AWXWGHRIEZODNC-HKUYNNGSSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)C[C@H]1c1ccccc1 ZINC000340199868 433981005 /nfs/dbraw/zinc/98/10/05/433981005.db2.gz AWXWGHRIEZODNC-HKUYNNGSSA-N 2 1 302.462 3.371 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363168297 433986252 /nfs/dbraw/zinc/98/62/52/433986252.db2.gz WLOPSYCAYCLQQH-LSDHHAIUSA-N 2 1 310.388 3.047 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c2ccccc21 ZINC000340202256 433987182 /nfs/dbraw/zinc/98/71/82/433987182.db2.gz ULFJEMUQHGOJBF-HUUCEWRRSA-N 2 1 316.420 3.086 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422772477 433987668 /nfs/dbraw/zinc/98/76/68/433987668.db2.gz ZBXVGWHSZPHPLW-NSHDSACASA-N 2 1 320.234 3.150 20 0 DGADMP COCCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377768038 433988675 /nfs/dbraw/zinc/98/86/75/433988675.db2.gz JOYQTIWNEXDPHF-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377768038 433988687 /nfs/dbraw/zinc/98/86/87/433988687.db2.gz JOYQTIWNEXDPHF-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422635174 433936373 /nfs/dbraw/zinc/93/63/73/433936373.db2.gz LBJJWKLYUBOOCP-VBQJREDUSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422635174 433936380 /nfs/dbraw/zinc/93/63/80/433936380.db2.gz LBJJWKLYUBOOCP-VBQJREDUSA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704835 433939802 /nfs/dbraw/zinc/93/98/02/433939802.db2.gz QJMVMNWZFULHCY-DOMZBBRYSA-N 2 1 312.379 3.467 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000285425205 433940336 /nfs/dbraw/zinc/94/03/36/433940336.db2.gz WBZHMQQGSBZLST-SGZDXZSOSA-N 2 1 316.489 3.302 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000285425205 433940344 /nfs/dbraw/zinc/94/03/44/433940344.db2.gz WBZHMQQGSBZLST-SGZDXZSOSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699825 433941292 /nfs/dbraw/zinc/94/12/92/433941292.db2.gz BGFXDGBFNGKLTC-DOMZBBRYSA-N 2 1 300.368 3.226 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)c2ccccc21 ZINC000422800107 434009984 /nfs/dbraw/zinc/00/99/84/434009984.db2.gz AUGAQLNMXPOLNW-PMACEKPBSA-N 2 1 318.424 3.166 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340246857 434010986 /nfs/dbraw/zinc/01/09/86/434010986.db2.gz YBUZEJVDYIGNPN-KSZLIROESA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340246857 434010994 /nfs/dbraw/zinc/01/09/94/434010994.db2.gz YBUZEJVDYIGNPN-KSZLIROESA-N 2 1 304.478 3.209 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422801629 434016894 /nfs/dbraw/zinc/01/68/94/434016894.db2.gz CFGWFLONYLANFO-LEWJYISDSA-N 3 1 323.484 3.331 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340253371 434017334 /nfs/dbraw/zinc/01/73/34/434017334.db2.gz BKVAPYGSQDTHRY-VNTMZGSJSA-N 2 1 315.505 3.284 20 0 DGADMP CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1c1ccccc1 ZINC000340253371 434017343 /nfs/dbraw/zinc/01/73/43/434017343.db2.gz BKVAPYGSQDTHRY-VNTMZGSJSA-N 2 1 315.505 3.284 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)C[C@H]1c1ccccc1 ZINC000340253067 434017971 /nfs/dbraw/zinc/01/79/71/434017971.db2.gz MICLEAIXOWBLLR-FHWLQOOXSA-N 2 1 324.472 3.186 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)C[C@H]1c1ccccc1 ZINC000340253067 434017981 /nfs/dbraw/zinc/01/79/81/434017981.db2.gz MICLEAIXOWBLLR-FHWLQOOXSA-N 2 1 324.472 3.186 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422807911 434019626 /nfs/dbraw/zinc/01/96/26/434019626.db2.gz KJPXLVXDQFUGEA-GWCFXTLKSA-N 2 1 318.795 3.419 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCOCC1 ZINC000422808975 434020597 /nfs/dbraw/zinc/02/05/97/434020597.db2.gz LPLVNJRJOGETDQ-QYZOEREBSA-N 2 1 302.462 3.275 20 0 DGADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1F ZINC000422819922 434024448 /nfs/dbraw/zinc/02/44/48/434024448.db2.gz OJXUHEWUTGLPMA-OLZOCXBDSA-N 2 1 303.381 3.141 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340272040 434025365 /nfs/dbraw/zinc/02/53/65/434025365.db2.gz HDSSTCYMKCEAHB-UXHICEINSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1F ZINC000422819923 434026241 /nfs/dbraw/zinc/02/62/41/434026241.db2.gz OJXUHEWUTGLPMA-QWHCGFSZSA-N 2 1 303.381 3.141 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000422823013 434028338 /nfs/dbraw/zinc/02/83/38/434028338.db2.gz CHFGTPRROXEXRT-HOJAQTOUSA-N 2 1 315.505 3.110 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831699 434033748 /nfs/dbraw/zinc/03/37/48/434033748.db2.gz TXXHOMJTGDGRJF-ZWKOTPCHSA-N 2 1 320.440 3.054 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422832001 434035910 /nfs/dbraw/zinc/03/59/10/434035910.db2.gz UFPPWOOTFJRUHR-HZPDHXFCSA-N 2 1 306.450 3.234 20 0 DGADMP CC(C)CC[NH+]1CCC(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422838677 434039114 /nfs/dbraw/zinc/03/91/14/434039114.db2.gz OWBYQXBGNKBSSS-WOJBJXKFSA-N 2 1 315.505 3.479 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422838677 434039124 /nfs/dbraw/zinc/03/91/24/434039124.db2.gz OWBYQXBGNKBSSS-WOJBJXKFSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837794 434039209 /nfs/dbraw/zinc/03/92/09/434039209.db2.gz MVBSMSLTSFIIPS-AFYVEPGGSA-N 2 1 315.505 3.289 20 0 DGADMP CCOCc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422834274 434042046 /nfs/dbraw/zinc/04/20/46/434042046.db2.gz NPROWRHMRPBYGO-OXJNMPFZSA-N 2 1 312.457 3.271 20 0 DGADMP Fc1cccc(N2CCCC2)c1CNCc1cccc2nccn21 ZINC000285709073 434043718 /nfs/dbraw/zinc/04/37/18/434043718.db2.gz WGORMSMQUZRBIK-UHFFFAOYSA-N 2 1 324.403 3.363 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840445 434044944 /nfs/dbraw/zinc/04/49/44/434044944.db2.gz SYGXCIPQWXEEDU-JZXOWHBKSA-N 2 1 321.534 3.080 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340220952 433995184 /nfs/dbraw/zinc/99/51/84/433995184.db2.gz FZIWUQWABNXSCG-YSHGAJCASA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340220952 433995194 /nfs/dbraw/zinc/99/51/94/433995194.db2.gz FZIWUQWABNXSCG-YSHGAJCASA-N 2 1 302.462 3.369 20 0 DGADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327457 433998811 /nfs/dbraw/zinc/99/88/11/433998811.db2.gz TVDJQALTPPWLKC-QAPCUYQASA-N 2 1 322.880 3.181 20 0 DGADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327457 433998820 /nfs/dbraw/zinc/99/88/20/433998820.db2.gz TVDJQALTPPWLKC-QAPCUYQASA-N 2 1 322.880 3.181 20 0 DGADMP C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]1 ZINC000422784095 434000863 /nfs/dbraw/zinc/00/08/63/434000863.db2.gz LVBHLESAXQPGFV-XJKSGUPXSA-N 2 1 301.459 3.083 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422792959 434002524 /nfs/dbraw/zinc/00/25/24/434002524.db2.gz FFHVNVRBTNXDEI-KGLIPLIRSA-N 2 1 302.340 3.335 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861184 434061708 /nfs/dbraw/zinc/06/17/08/434061708.db2.gz MMZLVKXYWYMKLZ-FUHIMQAGSA-N 2 1 315.505 3.149 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000414957588 293894121 /nfs/dbraw/zinc/89/41/21/293894121.db2.gz WCDBYLKYDJMOKC-GDBMZVCRSA-N 2 1 306.450 3.104 20 0 DGADMP Cc1nc(CC[N@H+](C)CCCN(C)Cc2ccco2)cs1 ZINC000285775775 434063380 /nfs/dbraw/zinc/06/33/80/434063380.db2.gz TWVHYQSLHOPDAM-UHFFFAOYSA-N 2 1 307.463 3.041 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)s2)cc1 ZINC000414962525 293896366 /nfs/dbraw/zinc/89/63/66/293896366.db2.gz ZTGJPHDJWRGKMT-HIFRSBDPSA-N 2 1 301.459 3.349 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414970152 293898511 /nfs/dbraw/zinc/89/85/11/293898511.db2.gz KAWYJNGCWNWCDR-ZDUSSCGKSA-N 2 1 307.488 3.349 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874480 434071826 /nfs/dbraw/zinc/07/18/26/434071826.db2.gz DASOZPGIIAUGDR-UWVAXJGDSA-N 2 1 315.505 3.291 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000422875043 434072884 /nfs/dbraw/zinc/07/28/84/434072884.db2.gz BKLRFXAUHOYDKR-FUNVUKJBSA-N 2 1 314.351 3.087 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422881738 434077188 /nfs/dbraw/zinc/07/71/88/434077188.db2.gz OGWOAJKTHLHZJO-FCGDIQPGSA-N 3 1 307.526 3.009 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340349687 434079090 /nfs/dbraw/zinc/07/90/90/434079090.db2.gz FEGVTEQJKXQWOT-MOPGFXCFSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340349687 434079100 /nfs/dbraw/zinc/07/91/00/434079100.db2.gz FEGVTEQJKXQWOT-MOPGFXCFSA-N 3 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885698 434080732 /nfs/dbraw/zinc/08/07/32/434080732.db2.gz UYARTPHQSNUFLT-LZQZEXGQSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885698 434080740 /nfs/dbraw/zinc/08/07/40/434080740.db2.gz UYARTPHQSNUFLT-LZQZEXGQSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885698 434080751 /nfs/dbraw/zinc/08/07/51/434080751.db2.gz UYARTPHQSNUFLT-LZQZEXGQSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422885698 434080761 /nfs/dbraw/zinc/08/07/61/434080761.db2.gz UYARTPHQSNUFLT-LZQZEXGQSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422885698 434080767 /nfs/dbraw/zinc/08/07/67/434080767.db2.gz UYARTPHQSNUFLT-LZQZEXGQSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886544 434082920 /nfs/dbraw/zinc/08/29/20/434082920.db2.gz WWVOIRNTIOBKLL-FUHIMQAGSA-N 2 1 315.505 3.149 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309765624 434096639 /nfs/dbraw/zinc/09/66/39/434096639.db2.gz ZKESYGMVWALJEO-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000422840412 434048362 /nfs/dbraw/zinc/04/83/62/434048362.db2.gz SUUHENGGKOZDSK-AQNXPRMDSA-N 3 1 319.537 3.294 20 0 DGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340302340 434049402 /nfs/dbraw/zinc/04/94/02/434049402.db2.gz QZGLDVLVNMWJEY-RSPOEFSDSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340302340 434049412 /nfs/dbraw/zinc/04/94/12/434049412.db2.gz QZGLDVLVNMWJEY-RSPOEFSDSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340302340 434049421 /nfs/dbraw/zinc/04/94/21/434049421.db2.gz QZGLDVLVNMWJEY-RSPOEFSDSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340302332 434050374 /nfs/dbraw/zinc/05/03/74/434050374.db2.gz QZGLDVLVNMWJEY-BTHPGYMESA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340302332 434050384 /nfs/dbraw/zinc/05/03/84/434050384.db2.gz QZGLDVLVNMWJEY-BTHPGYMESA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340302332 434050397 /nfs/dbraw/zinc/05/03/97/434050397.db2.gz QZGLDVLVNMWJEY-BTHPGYMESA-N 2 1 315.505 3.140 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000340309639 434051893 /nfs/dbraw/zinc/05/18/93/434051893.db2.gz GTDZGSXUNQWCOE-BZSNNMDCSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000340309639 434051901 /nfs/dbraw/zinc/05/19/01/434051901.db2.gz GTDZGSXUNQWCOE-BZSNNMDCSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422852154 434052178 /nfs/dbraw/zinc/05/21/78/434052178.db2.gz ADVIVDBZMJHSGB-ATZDWAIDSA-N 2 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422852154 434052187 /nfs/dbraw/zinc/05/21/87/434052187.db2.gz ADVIVDBZMJHSGB-ATZDWAIDSA-N 3 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422852154 434052194 /nfs/dbraw/zinc/05/21/94/434052194.db2.gz ADVIVDBZMJHSGB-ATZDWAIDSA-N 3 1 301.478 3.030 20 0 DGADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305171894 434053594 /nfs/dbraw/zinc/05/35/94/434053594.db2.gz ZXPKFEFKCYWNBM-HNNXBMFYSA-N 2 1 322.518 3.296 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340311010 434055191 /nfs/dbraw/zinc/05/51/91/434055191.db2.gz ZDQQNKJYMVUVDO-QZTJIDSGSA-N 2 1 304.478 3.210 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340311010 434055198 /nfs/dbraw/zinc/05/51/98/434055198.db2.gz ZDQQNKJYMVUVDO-QZTJIDSGSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340318054 434055309 /nfs/dbraw/zinc/05/53/09/434055309.db2.gz SUOYFBWSBZNWQH-OTWHNJEPSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340318054 434055319 /nfs/dbraw/zinc/05/53/19/434055319.db2.gz SUOYFBWSBZNWQH-OTWHNJEPSA-N 2 1 316.489 3.209 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3cscn3)C2)CC1 ZINC000450324023 434102200 /nfs/dbraw/zinc/10/22/00/434102200.db2.gz MABSCVRFEFVOIF-MRXNPFEDSA-N 2 1 307.507 3.130 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3cscn3)C2)CC1 ZINC000450324023 434102206 /nfs/dbraw/zinc/10/22/06/434102206.db2.gz MABSCVRFEFVOIF-MRXNPFEDSA-N 2 1 307.507 3.130 20 0 DGADMP CC(C)(C)OCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309825327 434102704 /nfs/dbraw/zinc/10/27/04/434102704.db2.gz BBCNCVMERIAXDU-IPMKNSEASA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422907702 434102748 /nfs/dbraw/zinc/10/27/48/434102748.db2.gz CBUMYWCMIXCIFG-OALUTQOASA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422907702 434102755 /nfs/dbraw/zinc/10/27/55/434102755.db2.gz CBUMYWCMIXCIFG-OALUTQOASA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422907702 434102760 /nfs/dbraw/zinc/10/27/60/434102760.db2.gz CBUMYWCMIXCIFG-OALUTQOASA-N 3 1 303.494 3.276 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964808 434104316 /nfs/dbraw/zinc/10/43/16/434104316.db2.gz KGYJXEGWUOZYDU-VAMGGRTRSA-N 2 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309964808 434104322 /nfs/dbraw/zinc/10/43/22/434104322.db2.gz KGYJXEGWUOZYDU-VAMGGRTRSA-N 3 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964808 434104333 /nfs/dbraw/zinc/10/43/33/434104333.db2.gz KGYJXEGWUOZYDU-VAMGGRTRSA-N 3 1 315.505 3.148 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000309816128 434104396 /nfs/dbraw/zinc/10/43/96/434104396.db2.gz XWJNRYZKSMUSIY-HXUWFJFHSA-N 2 1 316.489 3.305 20 0 DGADMP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310159004 434105418 /nfs/dbraw/zinc/10/54/18/434105418.db2.gz PIVKHJMIOUBECP-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310159004 434105428 /nfs/dbraw/zinc/10/54/28/434105428.db2.gz PIVKHJMIOUBECP-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310159004 434105437 /nfs/dbraw/zinc/10/54/37/434105437.db2.gz PIVKHJMIOUBECP-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310159004 434105446 /nfs/dbraw/zinc/10/54/46/434105446.db2.gz PIVKHJMIOUBECP-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000310079959 434109320 /nfs/dbraw/zinc/10/93/20/434109320.db2.gz CKMVVYKRETXIPB-LLVKDONJSA-N 2 1 315.280 3.182 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(C)C ZINC000310485335 434114463 /nfs/dbraw/zinc/11/44/63/434114463.db2.gz MRDHXEYIQYVMTP-IYWMVGAKSA-N 2 1 316.489 3.158 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353385017 434101592 /nfs/dbraw/zinc/10/15/92/434101592.db2.gz IQXASHWTINJEIQ-SOLBZPMBSA-N 2 1 311.429 3.304 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353385017 434101602 /nfs/dbraw/zinc/10/16/02/434101602.db2.gz IQXASHWTINJEIQ-SOLBZPMBSA-N 2 1 311.429 3.304 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422944438 434126258 /nfs/dbraw/zinc/12/62/58/434126258.db2.gz SBPXLETVFNEMNK-GHMZBOCLSA-N 2 1 303.269 3.260 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000501465238 294141410 /nfs/dbraw/zinc/14/14/10/294141410.db2.gz DGQKHMIQFDDSAQ-AYHJJNSGSA-N 2 1 302.462 3.363 20 0 DGADMP CCc1cc(OC)ccc1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000502280490 294161287 /nfs/dbraw/zinc/16/12/87/294161287.db2.gz JEFAKJFMPIOLKW-QGZVFWFLSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000502280490 294161288 /nfs/dbraw/zinc/16/12/88/294161288.db2.gz JEFAKJFMPIOLKW-QGZVFWFLSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000502280490 294161290 /nfs/dbraw/zinc/16/12/90/294161290.db2.gz JEFAKJFMPIOLKW-QGZVFWFLSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000502280490 294161292 /nfs/dbraw/zinc/16/12/92/294161292.db2.gz JEFAKJFMPIOLKW-QGZVFWFLSA-N 2 1 316.489 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000502280490 294161294 /nfs/dbraw/zinc/16/12/94/294161294.db2.gz JEFAKJFMPIOLKW-QGZVFWFLSA-N 2 1 316.489 3.421 20 0 DGADMP Cc1cc(OCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C(C)C ZINC000502551914 294168646 /nfs/dbraw/zinc/16/86/46/294168646.db2.gz AVDNETXBJYZUEP-QGZVFWFLSA-N 2 1 304.478 3.381 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C(C)C ZINC000502551914 294168649 /nfs/dbraw/zinc/16/86/49/294168649.db2.gz AVDNETXBJYZUEP-QGZVFWFLSA-N 2 1 304.478 3.381 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000503621275 294198699 /nfs/dbraw/zinc/19/86/99/294198699.db2.gz ZLZNGINFFPIRMB-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000505562542 294242253 /nfs/dbraw/zinc/24/22/53/294242253.db2.gz UJJBKJYMNRATFH-SFHVURJKSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000505562542 294242256 /nfs/dbraw/zinc/24/22/56/294242256.db2.gz UJJBKJYMNRATFH-SFHVURJKSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000505562542 294242260 /nfs/dbraw/zinc/24/22/60/294242260.db2.gz UJJBKJYMNRATFH-SFHVURJKSA-N 2 1 316.489 3.292 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000313351839 434129364 /nfs/dbraw/zinc/12/93/64/434129364.db2.gz KLIOYJQSRACSNV-IBGZPJMESA-N 2 1 312.413 3.029 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000313351839 434129372 /nfs/dbraw/zinc/12/93/72/434129372.db2.gz KLIOYJQSRACSNV-IBGZPJMESA-N 2 1 312.413 3.029 20 0 DGADMP CC(C)(C)c1ccc(OCCC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000509045257 294339122 /nfs/dbraw/zinc/33/91/22/294339122.db2.gz IPCMOIBFFKGMBP-IBGZPJMESA-N 2 1 304.478 3.424 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509937044 294369517 /nfs/dbraw/zinc/36/95/17/294369517.db2.gz BMXBHWZSUIYRJW-IXDOHACOSA-N 2 1 304.478 3.281 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000509960086 294370017 /nfs/dbraw/zinc/37/00/17/294370017.db2.gz YVGZXVLCQMBVEM-HNAYVOBHSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21)C1C[NH2+]C1 ZINC000422954354 434138884 /nfs/dbraw/zinc/13/88/84/434138884.db2.gz IGWDELVALFKBEL-KUHUBIRLSA-N 2 1 308.425 3.375 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422968123 434141958 /nfs/dbraw/zinc/14/19/58/434141958.db2.gz VQPGNUHIYDAIMZ-QOKNQOGYSA-N 2 1 312.413 3.495 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccco1 ZINC000422969864 434142760 /nfs/dbraw/zinc/14/27/60/434142760.db2.gz DSJRTYAYHXUNGC-BSDSXHPESA-N 2 1 319.493 3.173 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)c2)cn1 ZINC000422968800 434145464 /nfs/dbraw/zinc/14/54/64/434145464.db2.gz XTGWVYZLIMMAOL-VQTJNVASSA-N 2 1 318.424 3.322 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3occc3c2)CCCO1 ZINC000286044390 434145774 /nfs/dbraw/zinc/14/57/74/434145774.db2.gz QUSIRLAVVRILMA-OAHLLOKOSA-N 2 1 302.418 3.023 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294935852 434156025 /nfs/dbraw/zinc/15/60/25/434156025.db2.gz BWZKWAMLPZKWIU-JFIYKMOQSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998420 434159834 /nfs/dbraw/zinc/15/98/34/434159834.db2.gz CQLKRFYNQQFMTF-QGZVKYPTSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998420 434159842 /nfs/dbraw/zinc/15/98/42/434159842.db2.gz CQLKRFYNQQFMTF-QGZVKYPTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998420 434159850 /nfs/dbraw/zinc/15/98/50/434159850.db2.gz CQLKRFYNQQFMTF-QGZVKYPTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006914 434161713 /nfs/dbraw/zinc/16/17/13/434161713.db2.gz WUFCCRQYLZTDDT-DWRORGKVSA-N 3 1 303.494 3.003 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1(C)C ZINC000423015823 434168617 /nfs/dbraw/zinc/16/86/17/434168617.db2.gz LHWMJXSXHYGUMS-FWEDZOCSSA-N 2 1 302.462 3.129 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)([NH+](C)C)C1 ZINC000340513346 434170431 /nfs/dbraw/zinc/17/04/31/434170431.db2.gz BGMVVQKCVUCEAP-ILOCAZANSA-N 2 1 306.494 3.044 20 0 DGADMP Clc1cccc2c1OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423025362 434173526 /nfs/dbraw/zinc/17/35/26/434173526.db2.gz LLTNGYBHGGEGLA-TUURBPCVSA-N 2 1 306.837 3.426 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCC1 ZINC000423035108 434176151 /nfs/dbraw/zinc/17/61/51/434176151.db2.gz IWLIIBCJAZXGIM-DOTOQJQBSA-N 2 1 302.462 3.237 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450439803 434182069 /nfs/dbraw/zinc/18/20/69/434182069.db2.gz OLABCSRMWUDKGG-VQTJNVASSA-N 2 1 316.489 3.052 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)O ZINC000295074140 434183343 /nfs/dbraw/zinc/18/33/43/434183343.db2.gz SHIDAMATZHDPND-SUMWQHHRSA-N 2 1 301.434 3.381 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423046539 434185825 /nfs/dbraw/zinc/18/58/25/434185825.db2.gz FNSAEJIUFAXPIL-SLEUVZQESA-N 2 1 317.399 3.024 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000286178943 434186563 /nfs/dbraw/zinc/18/65/63/434186563.db2.gz QTRYZWSVSBTYCK-ACBHZAAOSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423047777 434187152 /nfs/dbraw/zinc/18/71/52/434187152.db2.gz GZAVSXNXTFZBRL-GUDVDZBRSA-N 2 1 302.462 3.057 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000316468461 434188044 /nfs/dbraw/zinc/18/80/44/434188044.db2.gz SRZGZQNAUDWMBL-INIZCTEOSA-N 2 1 304.478 3.338 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(C)c1 ZINC000353512012 434189747 /nfs/dbraw/zinc/18/97/47/434189747.db2.gz CHOZWBPFMBVMEN-RTBURBONSA-N 2 1 304.478 3.129 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357801284 434190456 /nfs/dbraw/zinc/19/04/56/434190456.db2.gz UUVZTCQTAFZXSE-MSOLQXFVSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357801284 434190467 /nfs/dbraw/zinc/19/04/67/434190467.db2.gz UUVZTCQTAFZXSE-MSOLQXFVSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357801284 434190477 /nfs/dbraw/zinc/19/04/77/434190477.db2.gz UUVZTCQTAFZXSE-MSOLQXFVSA-N 2 1 312.461 3.158 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])OC(C)C ZINC000423052783 434191256 /nfs/dbraw/zinc/19/12/56/434191256.db2.gz QMCASCNGOFDBQJ-LNLFQRSKSA-N 2 1 320.477 3.411 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1=CCCCC1 ZINC000423052278 434191895 /nfs/dbraw/zinc/19/18/95/434191895.db2.gz PLSQFZPNRXATPH-KSZLIROESA-N 2 1 306.494 3.260 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCO2 ZINC000423050506 434193215 /nfs/dbraw/zinc/19/32/15/434193215.db2.gz LWZOIRWRXQODLJ-SPUZQDLCSA-N 2 1 316.445 3.029 20 0 DGADMP C[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353518084 434194932 /nfs/dbraw/zinc/19/49/32/434194932.db2.gz KTKGGKGRIMXINL-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000353517429 434195126 /nfs/dbraw/zinc/19/51/26/434195126.db2.gz ISWGODLAAXMGBV-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP CCc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000450454045 434196818 /nfs/dbraw/zinc/19/68/18/434196818.db2.gz NHQJRWIMBHGRMW-LPHOPBHVSA-N 2 1 310.445 3.168 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnc(C)n2)CC1)CC(C)C ZINC000353522523 434199374 /nfs/dbraw/zinc/19/93/74/434199374.db2.gz RUPJVCHKTSGOAW-UHFFFAOYSA-N 2 1 318.509 3.365 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000423085342 434210197 /nfs/dbraw/zinc/21/01/97/434210197.db2.gz KGFNMLGQWFFUAV-YWZLYKJASA-N 2 1 305.425 3.283 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353543268 434210451 /nfs/dbraw/zinc/21/04/51/434210451.db2.gz BBGKKHGCSQNYGL-SJORKVTESA-N 2 1 324.509 3.210 20 0 DGADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090503 434212015 /nfs/dbraw/zinc/21/20/15/434212015.db2.gz XVCPNMNZNUPYQU-XDNAFOTISA-N 3 1 307.526 3.007 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090503 434212025 /nfs/dbraw/zinc/21/20/25/434212025.db2.gz XVCPNMNZNUPYQU-XDNAFOTISA-N 3 1 307.526 3.007 20 0 DGADMP CSc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000295118954 434212349 /nfs/dbraw/zinc/21/23/49/434212349.db2.gz YHBUFWJTQFZNPK-ZVZYQTTQSA-N 2 1 321.534 3.084 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423090062 434212673 /nfs/dbraw/zinc/21/26/73/434212673.db2.gz WQQKLNKKGCZNOK-JKSUJKDBSA-N 2 1 310.445 3.061 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2N(C)C(C)C)CC1 ZINC000437102571 434214271 /nfs/dbraw/zinc/21/42/71/434214271.db2.gz YNHGNCGQLVRBRM-UHFFFAOYSA-N 2 1 303.494 3.495 20 0 DGADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423095205 434215206 /nfs/dbraw/zinc/21/52/06/434215206.db2.gz LQFDGBROTVKJLY-KSZLIROESA-N 2 1 304.478 3.257 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nc(C)c(C)[nH]2)c1 ZINC000514799864 294518047 /nfs/dbraw/zinc/51/80/47/294518047.db2.gz WOHKDFOTVYJDLV-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000295126117 434218994 /nfs/dbraw/zinc/21/89/94/434218994.db2.gz XIPPUYAHTDJCCC-NXWXRZEISA-N 2 1 316.489 3.036 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099984 434219129 /nfs/dbraw/zinc/21/91/29/434219129.db2.gz GBKZOZUOYDGXSV-IKGGRYGDSA-N 2 1 308.853 3.277 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286111597 434166778 /nfs/dbraw/zinc/16/67/78/434166778.db2.gz NQMQPSVNNXORSF-MRXNPFEDSA-N 2 1 301.438 3.216 20 0 DGADMP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000295178914 434243505 /nfs/dbraw/zinc/24/35/05/434243505.db2.gz VJWYDJFBMJFBOV-QXAKKESOSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000353582681 434245566 /nfs/dbraw/zinc/24/55/66/434245566.db2.gz SUUGTADBSFTLSP-LMMKCTJWSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353582681 434245576 /nfs/dbraw/zinc/24/55/76/434245576.db2.gz SUUGTADBSFTLSP-LMMKCTJWSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353582681 434245586 /nfs/dbraw/zinc/24/55/86/434245586.db2.gz SUUGTADBSFTLSP-LMMKCTJWSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccccc21 ZINC000423147803 434248542 /nfs/dbraw/zinc/24/85/42/434248542.db2.gz DLZTZFWNXTWNTR-GJZGRUSLSA-N 2 1 302.466 3.298 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423149475 434249515 /nfs/dbraw/zinc/24/95/15/434249515.db2.gz AWPOKLMXUUBVHZ-YOEHRIQHSA-N 2 1 305.491 3.129 20 0 DGADMP CC1=CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000437344543 434251494 /nfs/dbraw/zinc/25/14/94/434251494.db2.gz IPCWWHYOISPBHD-UHFFFAOYSA-N 2 1 313.489 3.369 20 0 DGADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000323160353 434262652 /nfs/dbraw/zinc/26/26/52/434262652.db2.gz IHQMPJXJRKEHTK-RTBURBONSA-N 2 1 316.489 3.097 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000323160352 434264371 /nfs/dbraw/zinc/26/43/71/434264371.db2.gz IHQMPJXJRKEHTK-RBUKOAKNSA-N 2 1 316.489 3.097 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423176334 434267582 /nfs/dbraw/zinc/26/75/82/434267582.db2.gz GUKVVDRLOQIVMQ-CQSZACIVSA-N 2 1 306.450 3.324 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423187894 434271379 /nfs/dbraw/zinc/27/13/79/434271379.db2.gz YKWQTAVDNJATFR-MJGOQNOKSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@H](NCC1([NH3+])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423187982 434272630 /nfs/dbraw/zinc/27/26/30/434272630.db2.gz YWEVHMUSIRFFIT-HKUYNNGSSA-N 2 1 315.505 3.148 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC000323986011 434273351 /nfs/dbraw/zinc/27/33/51/434273351.db2.gz FWPNKKYWMZWZHN-UHFFFAOYSA-N 2 1 316.489 3.100 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423106057 434223401 /nfs/dbraw/zinc/22/34/01/434223401.db2.gz JHNWMOFVHCOZCN-WSIUPNEHSA-N 2 1 302.462 3.068 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114002 434228538 /nfs/dbraw/zinc/22/85/38/434228538.db2.gz ZQTXYSASBDWRDR-GRDNDAEWSA-N 2 1 311.901 3.438 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114002 434228542 /nfs/dbraw/zinc/22/85/42/434228542.db2.gz ZQTXYSASBDWRDR-GRDNDAEWSA-N 2 1 311.901 3.438 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007667 434233227 /nfs/dbraw/zinc/23/32/27/434233227.db2.gz VCYYXXRCEZGOBI-LSDHHAIUSA-N 2 1 306.450 3.055 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007667 434233236 /nfs/dbraw/zinc/23/32/36/434233236.db2.gz VCYYXXRCEZGOBI-LSDHHAIUSA-N 2 1 306.450 3.055 20 0 DGADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccc2s1 ZINC000423120303 434233706 /nfs/dbraw/zinc/23/37/06/434233706.db2.gz GBJQUNGBDHKJTB-BBWFWOEESA-N 2 1 316.470 3.148 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccc3sccc3c2)CC1 ZINC000353570754 434236752 /nfs/dbraw/zinc/23/67/52/434236752.db2.gz GABXJCCRPUONAS-UHFFFAOYSA-N 2 1 304.459 3.102 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423126939 434237231 /nfs/dbraw/zinc/23/72/31/434237231.db2.gz BGXHVJSRLIJXFU-STQMWFEESA-N 2 1 302.340 3.177 20 0 DGADMP Cc1nccn1CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000346251567 434238267 /nfs/dbraw/zinc/23/82/67/434238267.db2.gz KZRCYLHVUCEBHN-HNNXBMFYSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000383942460 434288058 /nfs/dbraw/zinc/28/80/58/434288058.db2.gz VKBUNPXKCHWHBR-PWRODBHTSA-N 2 1 321.468 3.390 20 0 DGADMP CSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000358025809 434295008 /nfs/dbraw/zinc/29/50/08/434295008.db2.gz BKYXRGAYGALDCN-BRWVUGGUSA-N 2 1 320.502 3.092 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCCC[NH2+]1 ZINC000386165102 434308723 /nfs/dbraw/zinc/30/87/23/434308723.db2.gz VNKHSBBQEZREHS-ZYHUDNBSSA-N 2 1 317.296 3.173 20 0 DGADMP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312734 434322291 /nfs/dbraw/zinc/32/22/91/434322291.db2.gz BOSNCIXYLFNNCL-OALUTQOASA-N 2 1 315.505 3.148 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312734 434322300 /nfs/dbraw/zinc/32/23/00/434322300.db2.gz BOSNCIXYLFNNCL-OALUTQOASA-N 2 1 315.505 3.148 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000423263159 434323752 /nfs/dbraw/zinc/32/37/52/434323752.db2.gz NYFLDMYTCMJTIK-XJKSGUPXSA-N 2 1 304.434 3.016 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)sc1Br ZINC000423275288 434334327 /nfs/dbraw/zinc/33/43/27/434334327.db2.gz LLEMUSQSABPORY-WPRPVWTQSA-N 2 1 303.269 3.207 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000388108580 434326404 /nfs/dbraw/zinc/32/64/04/434326404.db2.gz WSNVLOPGVVEQNC-DOTOQJQBSA-N 2 1 305.466 3.269 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C12CCCCC2 ZINC000387790987 434326773 /nfs/dbraw/zinc/32/67/73/434326773.db2.gz MTQXOXZOROUUNK-VSZNYVQBSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C12CCCCC2 ZINC000387790987 434326782 /nfs/dbraw/zinc/32/67/82/434326782.db2.gz MTQXOXZOROUUNK-VSZNYVQBSA-N 2 1 306.494 3.331 20 0 DGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423270133 434327086 /nfs/dbraw/zinc/32/70/86/434327086.db2.gz GDCQQHLZYYQMLK-HUUCEWRRSA-N 2 1 309.251 3.153 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287299165 434327271 /nfs/dbraw/zinc/32/72/71/434327271.db2.gz KLIQKCDGVRHTTM-UHFFFAOYSA-N 2 1 308.429 3.442 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423269752 434330627 /nfs/dbraw/zinc/33/06/27/434330627.db2.gz HMOLZSMAZGZOPJ-SMDDNHRTSA-N 2 1 304.356 3.262 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423326733 434363581 /nfs/dbraw/zinc/36/35/81/434363581.db2.gz MWOKAKAWSZBRQM-YMTOWFKASA-N 2 1 322.250 3.245 20 0 DGADMP Cc1ccnc(C)c1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000287449436 434363820 /nfs/dbraw/zinc/36/38/20/434363820.db2.gz HXISEDXQSSXXPB-AWEZNQCLSA-N 2 1 318.446 3.184 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450724880 434364533 /nfs/dbraw/zinc/36/45/33/434364533.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724880 434364542 /nfs/dbraw/zinc/36/45/42/434364542.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 2 1 321.553 3.492 20 0 DGADMP CN(C)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000417356369 434364506 /nfs/dbraw/zinc/36/45/06/434364506.db2.gz PKBFGQMTLIRRJY-UHFFFAOYSA-N 3 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724880 434364553 /nfs/dbraw/zinc/36/45/53/434364553.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724880 434364558 /nfs/dbraw/zinc/36/45/58/434364558.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724880 434364564 /nfs/dbraw/zinc/36/45/64/434364564.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 2 1 321.553 3.492 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)c2cccc(Br)c21 ZINC000423333554 434364867 /nfs/dbraw/zinc/36/48/67/434364867.db2.gz RWTNVWIWWXYCOG-GXFFZTMASA-N 2 1 309.251 3.468 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC(C)C ZINC000390726869 434364812 /nfs/dbraw/zinc/36/48/12/434364812.db2.gz NLNXXBWVAYYKFQ-QGZVFWFLSA-N 2 1 320.477 3.302 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423340135 434369802 /nfs/dbraw/zinc/36/98/02/434369802.db2.gz WZFXUFOAOSYCRN-KGLIPLIRSA-N 2 1 302.393 3.403 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)C1CC1 ZINC000423333776 434369922 /nfs/dbraw/zinc/36/99/22/434369922.db2.gz VXDCOWBBGCQQQU-ZWKOTPCHSA-N 2 1 315.848 3.346 20 0 DGADMP C[C@H](Nc1cc[nH+]cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390816296 434372460 /nfs/dbraw/zinc/37/24/60/434372460.db2.gz LIJPXPPSYHSCSJ-HOCLYGCPSA-N 2 1 315.848 3.479 20 0 DGADMP C[C@H](Nc1cc[nH+]cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390816296 434372466 /nfs/dbraw/zinc/37/24/66/434372466.db2.gz LIJPXPPSYHSCSJ-HOCLYGCPSA-N 2 1 315.848 3.479 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)oc21 ZINC000423349712 434376115 /nfs/dbraw/zinc/37/61/15/434376115.db2.gz WETLMEDWYIBJJK-SCLBCKFNSA-N 2 1 302.418 3.482 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000358193231 434377043 /nfs/dbraw/zinc/37/70/43/434377043.db2.gz ARMSCRYQUWNUTK-IXDOHACOSA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000358193231 434377052 /nfs/dbraw/zinc/37/70/52/434377052.db2.gz ARMSCRYQUWNUTK-IXDOHACOSA-N 2 1 308.853 3.244 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000353744025 434383811 /nfs/dbraw/zinc/38/38/11/434383811.db2.gz DIVOSASUPKVULF-ZBFHGGJFSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000353744025 434383840 /nfs/dbraw/zinc/38/38/40/434383840.db2.gz DIVOSASUPKVULF-ZBFHGGJFSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000353744025 434383846 /nfs/dbraw/zinc/38/38/46/434383846.db2.gz DIVOSASUPKVULF-ZBFHGGJFSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745205 434388300 /nfs/dbraw/zinc/38/83/00/434388300.db2.gz HSXIVUFRBDAZSP-YJBOKZPZSA-N 2 1 300.446 3.267 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745205 434388312 /nfs/dbraw/zinc/38/83/12/434388312.db2.gz HSXIVUFRBDAZSP-YJBOKZPZSA-N 2 1 300.446 3.267 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745205 434388323 /nfs/dbraw/zinc/38/83/23/434388323.db2.gz HSXIVUFRBDAZSP-YJBOKZPZSA-N 2 1 300.446 3.267 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745205 434388332 /nfs/dbraw/zinc/38/83/32/434388332.db2.gz HSXIVUFRBDAZSP-YJBOKZPZSA-N 2 1 300.446 3.267 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)C[NH3+])CCC3)cc1 ZINC000423381342 434390440 /nfs/dbraw/zinc/39/04/40/434390440.db2.gz ZJYMPNVCPZDKCD-SMDDNHRTSA-N 2 1 317.458 3.133 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ncc(Br)s1 ZINC000423284923 434337122 /nfs/dbraw/zinc/33/71/22/434337122.db2.gz XNQKZGPCLGVVSR-IVZWLZJFSA-N 2 1 318.284 3.074 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423288348 434342408 /nfs/dbraw/zinc/34/24/08/434342408.db2.gz RUBMKDACVHSTEY-UKRRQHHQSA-N 2 1 324.440 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150413 434345796 /nfs/dbraw/zinc/34/57/96/434345796.db2.gz DGIVFVRKEJQOHB-KBPBESRZSA-N 2 1 307.507 3.357 20 0 DGADMP CCC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000417313892 434350571 /nfs/dbraw/zinc/35/05/71/434350571.db2.gz QJBVEWNMDFVSMQ-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423299140 434351605 /nfs/dbraw/zinc/35/16/05/434351605.db2.gz PJJCHFNJBFBIBX-BBRMVZONSA-N 2 1 305.422 3.338 20 0 DGADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423309453 434356588 /nfs/dbraw/zinc/35/65/88/434356588.db2.gz ZUSSYEKHPMPXIF-ZDUSSCGKSA-N 2 1 300.377 3.488 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423321981 434357106 /nfs/dbraw/zinc/35/71/06/434357106.db2.gz GSHPPDIKCCWPLV-BDJLRTHQSA-N 2 1 316.367 3.467 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366224018 434359135 /nfs/dbraw/zinc/35/91/35/434359135.db2.gz VSQAEVVUSUZNLB-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000366537156 434443026 /nfs/dbraw/zinc/44/30/26/434443026.db2.gz VRDMLDANILDCOS-CXAGYDPISA-N 2 1 319.474 3.325 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438090196 434400046 /nfs/dbraw/zinc/40/00/46/434400046.db2.gz UDGSDPCFPWYPHG-ROUUACIJSA-N 2 1 316.489 3.435 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000423392846 434401584 /nfs/dbraw/zinc/40/15/84/434401584.db2.gz QTZAIBGQHGWPFR-OTWHNJEPSA-N 2 1 315.505 3.190 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000395132779 434415248 /nfs/dbraw/zinc/41/52/48/434415248.db2.gz SINOBMRWXUVLOZ-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423425853 434421020 /nfs/dbraw/zinc/42/10/20/434421020.db2.gz HGXSSKVEONVFOM-FHOOGIDHSA-N 2 1 317.433 3.126 20 0 DGADMP CC(C)C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Br)c1 ZINC000423431526 434421726 /nfs/dbraw/zinc/42/17/26/434421726.db2.gz LQUNTYSGSSJDJD-XUWVNRHRSA-N 2 1 323.278 3.344 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000348634786 434421816 /nfs/dbraw/zinc/42/18/16/434421816.db2.gz MJFRSXUBQBIOPF-OALUTQOASA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000348634786 434421825 /nfs/dbraw/zinc/42/18/25/434421825.db2.gz MJFRSXUBQBIOPF-OALUTQOASA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000348634786 434421833 /nfs/dbraw/zinc/42/18/33/434421833.db2.gz MJFRSXUBQBIOPF-OALUTQOASA-N 2 1 316.514 3.338 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396391951 434421988 /nfs/dbraw/zinc/42/19/88/434421988.db2.gz ZWRMWKCSVKCZRN-NFOMZHRRSA-N 2 1 322.415 3.077 20 0 DGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423438165 434425867 /nfs/dbraw/zinc/42/58/67/434425867.db2.gz GXSGDXNWCNJYNT-GDZNZVCISA-N 2 1 303.837 3.344 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480708 434426895 /nfs/dbraw/zinc/42/68/95/434426895.db2.gz JUVZZLXJNNOHIK-GOSISDBHSA-N 2 1 315.392 3.008 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000438184122 434432181 /nfs/dbraw/zinc/43/21/81/434432181.db2.gz AMMNGSGHUYVROC-KVPLUYHFSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000398026331 434448663 /nfs/dbraw/zinc/44/86/63/434448663.db2.gz MCBORHJQVFLQGM-UKRRQHHQSA-N 2 1 300.368 3.439 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423464210 434435909 /nfs/dbraw/zinc/43/59/09/434435909.db2.gz LYBPCAZKSIBKBK-VNQPRFMTSA-N 2 1 324.440 3.162 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423465290 434437515 /nfs/dbraw/zinc/43/75/15/434437515.db2.gz HPAIEBDLTDYDJD-OJAHFUOMSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423465290 434437524 /nfs/dbraw/zinc/43/75/24/434437524.db2.gz HPAIEBDLTDYDJD-OJAHFUOMSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423464301 434438213 /nfs/dbraw/zinc/43/82/13/434438213.db2.gz QSISSIJRTAYPLJ-GTAWCEEGSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423464301 434438221 /nfs/dbraw/zinc/43/82/21/434438221.db2.gz QSISSIJRTAYPLJ-GTAWCEEGSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423473224 434442004 /nfs/dbraw/zinc/44/20/04/434442004.db2.gz QQBXXSOWISHXII-GDZNZVCISA-N 2 1 303.837 3.344 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000348756085 434475056 /nfs/dbraw/zinc/47/50/56/434475056.db2.gz LTHOXPKJCJBKKT-DLBZAZTESA-N 2 1 315.486 3.315 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC000348756085 434475068 /nfs/dbraw/zinc/47/50/68/434475068.db2.gz LTHOXPKJCJBKKT-DLBZAZTESA-N 2 1 315.486 3.315 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)C1CC1 ZINC000360021202 434479378 /nfs/dbraw/zinc/47/93/78/434479378.db2.gz DWJGHYLPKBXPRQ-FQEVSTJZSA-N 2 1 315.505 3.102 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423533905 434481660 /nfs/dbraw/zinc/48/16/60/434481660.db2.gz UQJVEDFLSJYNKV-CZUORRHYSA-N 2 1 306.450 3.180 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423545628 434486153 /nfs/dbraw/zinc/48/61/53/434486153.db2.gz YDWWIIDQJWGOAV-HNNXBMFYSA-N 3 1 310.445 3.141 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(F)(F)F ZINC000360038142 434486466 /nfs/dbraw/zinc/48/64/66/434486466.db2.gz GRXHREFGUSGVOI-HUUCEWRRSA-N 2 1 322.415 3.075 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400368909 434486911 /nfs/dbraw/zinc/48/69/11/434486911.db2.gz SWBXCQUCTSZCKZ-WDSOQIARSA-N 2 1 315.505 3.017 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1(N2CCCCC2)CCCCC1 ZINC000401074735 434492050 /nfs/dbraw/zinc/49/20/50/434492050.db2.gz LKURAAPTMOVRGN-IPMKNSEASA-N 2 1 319.537 3.153 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000401797759 434499065 /nfs/dbraw/zinc/49/90/65/434499065.db2.gz ZUVRVZALJKERQU-AWEZNQCLSA-N 2 1 307.850 3.443 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000398148525 434458120 /nfs/dbraw/zinc/45/81/20/434458120.db2.gz OQAOLHIWWOVRDF-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n(C)n1 ZINC000417792336 434524844 /nfs/dbraw/zinc/52/48/44/434524844.db2.gz YEJMQIMTTCYYCY-KRWDZBQOSA-N 2 1 318.509 3.205 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C)C[C@@H]1C ZINC000438818624 434532018 /nfs/dbraw/zinc/53/20/18/434532018.db2.gz JNASUGILXQLJCD-DLBZAZTESA-N 2 1 317.477 3.128 20 0 DGADMP Cc1ccc(CCC[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000353928871 434533023 /nfs/dbraw/zinc/53/30/23/434533023.db2.gz MCAXUSCUVUBQEV-CALCHBBNSA-N 2 1 303.494 3.280 20 0 DGADMP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869152 434537252 /nfs/dbraw/zinc/53/72/52/434537252.db2.gz MEBSZCQECXQXAH-YIONKMFJSA-N 2 1 301.409 3.364 20 0 DGADMP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869152 434537261 /nfs/dbraw/zinc/53/72/61/434537261.db2.gz MEBSZCQECXQXAH-YIONKMFJSA-N 2 1 301.409 3.364 20 0 DGADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869152 434537265 /nfs/dbraw/zinc/53/72/65/434537265.db2.gz MEBSZCQECXQXAH-YIONKMFJSA-N 2 1 301.409 3.364 20 0 DGADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869152 434537271 /nfs/dbraw/zinc/53/72/71/434537271.db2.gz MEBSZCQECXQXAH-YIONKMFJSA-N 2 1 301.409 3.364 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000524728179 294984441 /nfs/dbraw/zinc/98/44/41/294984441.db2.gz YDJMTFUHFYSNTA-IXDOHACOSA-N 2 1 321.534 3.205 20 0 DGADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417951789 434553637 /nfs/dbraw/zinc/55/36/37/434553637.db2.gz ZEWAFPWLRWNKMF-RHSMWYFYSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417951789 434553647 /nfs/dbraw/zinc/55/36/47/434553647.db2.gz ZEWAFPWLRWNKMF-RHSMWYFYSA-N 2 1 318.490 3.137 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000417934734 434555577 /nfs/dbraw/zinc/55/55/77/434555577.db2.gz FYUWZMJNJFEAJO-JFRXWTBNSA-N 2 1 316.489 3.300 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000353988846 434559808 /nfs/dbraw/zinc/55/98/08/434559808.db2.gz YHTMEWVRBHOSOU-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000353988846 434559815 /nfs/dbraw/zinc/55/98/15/434559815.db2.gz YHTMEWVRBHOSOU-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000353988847 434559880 /nfs/dbraw/zinc/55/98/80/434559880.db2.gz YHTMEWVRBHOSOU-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000353988847 434559884 /nfs/dbraw/zinc/55/98/84/434559884.db2.gz YHTMEWVRBHOSOU-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000526970063 295066319 /nfs/dbraw/zinc/06/63/19/295066319.db2.gz GVKSKRONQMUOSA-QGZVFWFLSA-N 2 1 324.509 3.020 20 0 DGADMP Cc1ccc2sc(C[N@@H+](C)CCCn3ccnc3)nc2c1 ZINC000528430055 295213301 /nfs/dbraw/zinc/21/33/01/295213301.db2.gz TUGXCFDGTKMOMA-UHFFFAOYSA-N 2 1 300.431 3.323 20 0 DGADMP C[C@@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459397988 434575318 /nfs/dbraw/zinc/57/53/18/434575318.db2.gz DXENOMKCSBOLQL-SJLPKXTDSA-N 2 1 308.510 3.436 20 0 DGADMP c1cncc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000459419631 434584557 /nfs/dbraw/zinc/58/45/57/434584557.db2.gz JZTVGGJCONHOCM-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422729444 295297194 /nfs/dbraw/zinc/29/71/94/295297194.db2.gz IBMWECFWBVQVND-OAGGEKHMSA-N 2 1 307.507 3.135 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCC2CCOCC2)C1 ZINC000410388745 434646034 /nfs/dbraw/zinc/64/60/34/434646034.db2.gz CNZPAJVXZNHLAG-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000410388745 434646042 /nfs/dbraw/zinc/64/60/42/434646042.db2.gz CNZPAJVXZNHLAG-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410388745 434646051 /nfs/dbraw/zinc/64/60/51/434646051.db2.gz CNZPAJVXZNHLAG-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000354095742 434618695 /nfs/dbraw/zinc/61/86/95/434618695.db2.gz DXTZFBLSHPCKPG-KRWDZBQOSA-N 2 1 308.441 3.067 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349145273 434619009 /nfs/dbraw/zinc/61/90/09/434619009.db2.gz DSVRKNDQDBLWPH-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000354105456 434620212 /nfs/dbraw/zinc/62/02/12/434620212.db2.gz BBKLALGARYYUDD-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000354108927 434623127 /nfs/dbraw/zinc/62/31/27/434623127.db2.gz XWRHFXWUPBAYMU-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000354108924 434623925 /nfs/dbraw/zinc/62/39/25/434623925.db2.gz XWRHFXWUPBAYMU-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000354078604 434605474 /nfs/dbraw/zinc/60/54/74/434605474.db2.gz VGFSIGUBNRDXSM-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP Cc1nccn1CCCC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563570 434609301 /nfs/dbraw/zinc/60/93/01/434609301.db2.gz PTGOQLIRBLHEBW-SFHVURJKSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563570 434609307 /nfs/dbraw/zinc/60/93/07/434609307.db2.gz PTGOQLIRBLHEBW-SFHVURJKSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563570 434609315 /nfs/dbraw/zinc/60/93/15/434609315.db2.gz PTGOQLIRBLHEBW-SFHVURJKSA-N 2 1 321.465 3.025 20 0 DGADMP CC(C)=CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371157233 434646242 /nfs/dbraw/zinc/64/62/42/434646242.db2.gz MUJIWBZBUVDSNL-UHFFFAOYSA-N 2 1 307.526 3.081 20 0 DGADMP CC(C)=CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371157233 434646251 /nfs/dbraw/zinc/64/62/51/434646251.db2.gz MUJIWBZBUVDSNL-UHFFFAOYSA-N 3 1 307.526 3.081 20 0 DGADMP CC(C)=CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371157233 434646258 /nfs/dbraw/zinc/64/62/58/434646258.db2.gz MUJIWBZBUVDSNL-UHFFFAOYSA-N 3 1 307.526 3.081 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cn1 ZINC000354160813 434648193 /nfs/dbraw/zinc/64/81/93/434648193.db2.gz ZDPOZLWQHQOTFZ-QFBILLFUSA-N 2 1 303.494 3.423 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000459724327 434676284 /nfs/dbraw/zinc/67/62/84/434676284.db2.gz ANMVREDDTSKKKB-LMMKCTJWSA-N 2 1 301.478 3.429 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424285611 434677559 /nfs/dbraw/zinc/67/75/59/434677559.db2.gz DZANUNHWAYRLLG-XGXHKWSGSA-N 2 1 308.510 3.149 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224719 434677907 /nfs/dbraw/zinc/67/79/07/434677907.db2.gz OWDVPRGCKQPMTA-RDJZCZTQSA-N 2 1 318.461 3.073 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(OC(F)F)c1)CC[NH2+]CC2 ZINC000424289127 434681482 /nfs/dbraw/zinc/68/14/82/434681482.db2.gz LQUIJMJLIUCSAC-CYBMUJFWSA-N 2 1 310.388 3.252 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCOc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424295229 434683204 /nfs/dbraw/zinc/68/32/04/434683204.db2.gz QYLZNFBTYRKTLO-AWEZNQCLSA-N 2 1 308.853 3.183 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCOc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424295232 434683766 /nfs/dbraw/zinc/68/37/66/434683766.db2.gz QYLZNFBTYRKTLO-CQSZACIVSA-N 2 1 308.853 3.183 20 0 DGADMP C[C@@H]1CC2(C[N@@H+]1Cc1ncc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424299904 434685078 /nfs/dbraw/zinc/68/50/78/434685078.db2.gz WERHITKPCFLWBY-LLVKDONJSA-N 2 1 314.260 3.352 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424299904 434685082 /nfs/dbraw/zinc/68/50/82/434685082.db2.gz WERHITKPCFLWBY-LLVKDONJSA-N 2 1 314.260 3.352 20 0 DGADMP Cc1csc(C(C)(C)[NH2+]C[C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424306429 434688474 /nfs/dbraw/zinc/68/84/74/434688474.db2.gz VFWVKHBQRUERAM-ZDUSSCGKSA-N 2 1 307.438 3.158 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3cncs3)C2)CC1 ZINC000411222969 434746663 /nfs/dbraw/zinc/74/66/63/434746663.db2.gz OMFHBKSZHDRHEX-INIZCTEOSA-N 2 1 307.507 3.130 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3cncs3)C2)CC1 ZINC000411222969 434746667 /nfs/dbraw/zinc/74/66/67/434746667.db2.gz OMFHBKSZHDRHEX-INIZCTEOSA-N 2 1 307.507 3.130 20 0 DGADMP CC[N@H+]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411232176 434750289 /nfs/dbraw/zinc/75/02/89/434750289.db2.gz XWQWOMOEHFFPLR-UHFFFAOYSA-N 2 1 315.505 3.200 20 0 DGADMP CCN1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411232176 434750292 /nfs/dbraw/zinc/75/02/92/434750292.db2.gz XWQWOMOEHFFPLR-UHFFFAOYSA-N 2 1 315.505 3.200 20 0 DGADMP CCN1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411232176 434750298 /nfs/dbraw/zinc/75/02/98/434750298.db2.gz XWQWOMOEHFFPLR-UHFFFAOYSA-N 2 1 315.505 3.200 20 0 DGADMP COC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411284601 434755662 /nfs/dbraw/zinc/75/56/62/434755662.db2.gz OWFZGYRDRWCGOY-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349399153 434703517 /nfs/dbraw/zinc/70/35/17/434703517.db2.gz CGOLAVNDCBTZQQ-SGZDXZSOSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349399153 434703524 /nfs/dbraw/zinc/70/35/24/434703524.db2.gz CGOLAVNDCBTZQQ-SGZDXZSOSA-N 2 1 316.489 3.443 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]nc2C)CC1)CC(C)C ZINC000349405480 434704622 /nfs/dbraw/zinc/70/46/22/434704622.db2.gz JHPGOBYLOQMNCU-UHFFFAOYSA-N 2 1 306.498 3.298 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424379279 434713551 /nfs/dbraw/zinc/71/35/51/434713551.db2.gz OITAXDHUNONFPS-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424372534 434715231 /nfs/dbraw/zinc/71/52/31/434715231.db2.gz HZMWJDACARVLHP-NTFDOXNWSA-N 2 1 315.505 3.289 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000424372534 434715235 /nfs/dbraw/zinc/71/52/35/434715235.db2.gz HZMWJDACARVLHP-NTFDOXNWSA-N 2 1 315.505 3.289 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000424372534 434715238 /nfs/dbraw/zinc/71/52/38/434715238.db2.gz HZMWJDACARVLHP-NTFDOXNWSA-N 2 1 315.505 3.289 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000424381122 434716741 /nfs/dbraw/zinc/71/67/41/434716741.db2.gz YFVCZBQUHMVWGU-QLFBSQMISA-N 2 1 309.251 3.296 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCC(F)F)cc1)CC[NH2+]CC2 ZINC000424386547 434717475 /nfs/dbraw/zinc/71/74/75/434717475.db2.gz XJHFXENFEWXEJA-CQSZACIVSA-N 2 1 324.415 3.295 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000459793832 434721726 /nfs/dbraw/zinc/72/17/26/434721726.db2.gz TZGHFFONBVWUTK-HZPDHXFCSA-N 2 1 322.468 3.334 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000459796012 434725512 /nfs/dbraw/zinc/72/55/12/434725512.db2.gz VWDKTDABHPUERE-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000360910836 434729077 /nfs/dbraw/zinc/72/90/77/434729077.db2.gz XLFHNSDLQWWPRP-RDJZCZTQSA-N 2 1 320.452 3.162 20 0 DGADMP CC(C)[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000354350325 434731680 /nfs/dbraw/zinc/73/16/80/434731680.db2.gz CAJIPWATENUGKY-PMACEKPBSA-N 2 1 318.505 3.253 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933407 434737089 /nfs/dbraw/zinc/73/70/89/434737089.db2.gz OIGJCNYTSQAOKT-QAPCUYQASA-N 2 1 311.429 3.304 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933407 434737095 /nfs/dbraw/zinc/73/70/95/434737095.db2.gz OIGJCNYTSQAOKT-QAPCUYQASA-N 2 1 311.429 3.304 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442634734 434769720 /nfs/dbraw/zinc/76/97/20/434769720.db2.gz HRZWADQCOWYIGR-HZPDHXFCSA-N 2 1 311.473 3.489 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000419313802 434770615 /nfs/dbraw/zinc/77/06/15/434770615.db2.gz LPGNIOAXANGKMW-LJQANCHMSA-N 2 1 302.462 3.406 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000419313802 434770621 /nfs/dbraw/zinc/77/06/21/434770621.db2.gz LPGNIOAXANGKMW-LJQANCHMSA-N 2 1 302.462 3.406 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419332332 434773417 /nfs/dbraw/zinc/77/34/17/434773417.db2.gz RBDWRWNBVSSKLM-PKOBYXMFSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419332332 434773421 /nfs/dbraw/zinc/77/34/21/434773421.db2.gz RBDWRWNBVSSKLM-PKOBYXMFSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419332332 434773426 /nfs/dbraw/zinc/77/34/26/434773426.db2.gz RBDWRWNBVSSKLM-PKOBYXMFSA-N 2 1 302.462 3.404 20 0 DGADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000442878476 434774409 /nfs/dbraw/zinc/77/44/09/434774409.db2.gz UECYRGNHIDEKTK-SFHVURJKSA-N 2 1 309.542 3.351 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000361034482 434774638 /nfs/dbraw/zinc/77/46/38/434774638.db2.gz XJOALFYBLYNAOM-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000361034482 434774641 /nfs/dbraw/zinc/77/46/41/434774641.db2.gz XJOALFYBLYNAOM-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000411416762 434774962 /nfs/dbraw/zinc/77/49/62/434774962.db2.gz DDAYWIYRSAPVKI-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000411416762 434774964 /nfs/dbraw/zinc/77/49/64/434774964.db2.gz DDAYWIYRSAPVKI-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[C@H]1O ZINC000411406627 434776622 /nfs/dbraw/zinc/77/66/22/434776622.db2.gz JSUATBYIQSJZFB-VQTJNVASSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)CC[N@H+]1C ZINC000178187785 297283882 /nfs/dbraw/zinc/28/38/82/297283882.db2.gz ZSGOQCOMNJAZLA-KEYYUXOJSA-N 2 1 309.885 3.015 20 0 DGADMP CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453061609 434788428 /nfs/dbraw/zinc/78/84/28/434788428.db2.gz LBDCNWYDGNICGN-GUDVDZBRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422765653 297357489 /nfs/dbraw/zinc/35/74/89/297357489.db2.gz QNKBWVFIVFGQHU-ZWJWXYIHSA-N 2 1 321.553 3.253 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000411510567 434791053 /nfs/dbraw/zinc/79/10/53/434791053.db2.gz YZNTXQBHVKHYHD-AWEZNQCLSA-N 2 1 307.486 3.008 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2cnccn2)c1 ZINC000453077317 434792194 /nfs/dbraw/zinc/79/21/94/434792194.db2.gz FJIZITUBWNAHTB-MRXNPFEDSA-N 2 1 312.461 3.038 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453080452 434794954 /nfs/dbraw/zinc/79/49/54/434794954.db2.gz AXYVNIPTUYPDNN-MDNKFWRPSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453085726 434796626 /nfs/dbraw/zinc/79/66/26/434796626.db2.gz NFYXOKMGBPLYKP-ZWKOTPCHSA-N 2 1 322.880 3.114 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361183613 434825145 /nfs/dbraw/zinc/82/51/45/434825145.db2.gz ZDVQTCZUPVYHAS-LJQANCHMSA-N 2 1 314.473 3.217 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC(C)(C)CO ZINC000411776149 434828328 /nfs/dbraw/zinc/82/83/28/434828328.db2.gz UMPJEBGQZYKNFG-UHFFFAOYSA-N 2 1 304.478 3.123 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccn(C)n1 ZINC000411823266 434832089 /nfs/dbraw/zinc/83/20/89/434832089.db2.gz PPBFJUULWGHQJB-INIZCTEOSA-N 2 1 312.461 3.257 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000521281325 434878868 /nfs/dbraw/zinc/87/88/68/434878868.db2.gz NDVDALHSJDXCFQ-MOPGFXCFSA-N 2 1 318.509 3.294 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521272011 434878919 /nfs/dbraw/zinc/87/89/19/434878919.db2.gz QOBQMTGSBOKRGO-QFBILLFUSA-N 2 1 324.472 3.000 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521272011 434878921 /nfs/dbraw/zinc/87/89/21/434878921.db2.gz QOBQMTGSBOKRGO-QFBILLFUSA-N 2 1 324.472 3.000 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000521583103 434889307 /nfs/dbraw/zinc/88/93/07/434889307.db2.gz FCKFVFPIYPFLNK-NJAFHUGGSA-N 2 1 302.462 3.090 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000521639903 434891316 /nfs/dbraw/zinc/89/13/16/434891316.db2.gz PGDFNLVKUJNJTQ-UHFFFAOYSA-N 2 1 301.409 3.371 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335027 434892898 /nfs/dbraw/zinc/89/28/98/434892898.db2.gz DGPQTNPPJKYSDI-GXFFZTMASA-N 2 1 303.233 3.184 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335027 434892902 /nfs/dbraw/zinc/89/29/02/434892902.db2.gz DGPQTNPPJKYSDI-GXFFZTMASA-N 2 1 303.233 3.184 20 0 DGADMP CC[N@@H+](CCNc1cc[nH+]c2ccccc12)CCC(F)(F)F ZINC000491822158 434866618 /nfs/dbraw/zinc/86/66/18/434866618.db2.gz UDLUCGPYVJZILJ-UHFFFAOYSA-N 2 1 311.351 3.343 20 0 DGADMP CC(C)c1ccc([C@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119451 434870350 /nfs/dbraw/zinc/87/03/50/434870350.db2.gz FLSHFQHQAUSSGA-VQTJNVASSA-N 2 1 316.489 3.402 20 0 DGADMP CC(C)c1ccc([C@@H]2CCCN2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119449 434871006 /nfs/dbraw/zinc/87/10/06/434871006.db2.gz FLSHFQHQAUSSGA-PMACEKPBSA-N 2 1 316.489 3.402 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099930 434873710 /nfs/dbraw/zinc/87/37/10/434873710.db2.gz DJSCIWGBEUOIMC-LAVFITLUSA-N 2 1 302.462 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099930 434873714 /nfs/dbraw/zinc/87/37/14/434873714.db2.gz DJSCIWGBEUOIMC-LAVFITLUSA-N 2 1 302.462 3.162 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099933 434874964 /nfs/dbraw/zinc/87/49/64/434874964.db2.gz DJSCIWGBEUOIMC-XOYOTBSWSA-N 2 1 302.462 3.162 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573099933 434874970 /nfs/dbraw/zinc/87/49/70/434874970.db2.gz DJSCIWGBEUOIMC-XOYOTBSWSA-N 2 1 302.462 3.162 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccns2)CC1 ZINC000638020214 434936352 /nfs/dbraw/zinc/93/63/52/434936352.db2.gz GBCKJFKCCPYCAR-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP CC[C@](C)(C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000638031014 434938737 /nfs/dbraw/zinc/93/87/37/434938737.db2.gz MBLUTPPZLZYGIC-LJQANCHMSA-N 2 1 304.478 3.398 20 0 DGADMP CC[C@](C)(C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000638031014 434938746 /nfs/dbraw/zinc/93/87/46/434938746.db2.gz MBLUTPPZLZYGIC-LJQANCHMSA-N 2 1 304.478 3.398 20 0 DGADMP CO[C@](C)(C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000638067778 434944874 /nfs/dbraw/zinc/94/48/74/434944874.db2.gz UUJYNWNBSUKKQM-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@](C)(C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067778 434944877 /nfs/dbraw/zinc/94/48/77/434944877.db2.gz UUJYNWNBSUKKQM-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@](C)(C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067778 434944881 /nfs/dbraw/zinc/94/48/81/434944881.db2.gz UUJYNWNBSUKKQM-UYAOXDASSA-N 2 1 316.489 3.255 20 0 DGADMP CCn1ccnc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000523384509 434946954 /nfs/dbraw/zinc/94/69/54/434946954.db2.gz ACXYVYQZKCREFD-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000523384509 434946955 /nfs/dbraw/zinc/94/69/55/434946955.db2.gz ACXYVYQZKCREFD-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000523384509 434946960 /nfs/dbraw/zinc/94/69/60/434946960.db2.gz ACXYVYQZKCREFD-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3ncccc23)C1 ZINC000638135281 434962750 /nfs/dbraw/zinc/96/27/50/434962750.db2.gz SGTCGVFLFCYBDB-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638135281 434962753 /nfs/dbraw/zinc/96/27/53/434962753.db2.gz SGTCGVFLFCYBDB-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638135281 434962756 /nfs/dbraw/zinc/96/27/56/434962756.db2.gz SGTCGVFLFCYBDB-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP COc1cccc(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000638135634 434963397 /nfs/dbraw/zinc/96/33/97/434963397.db2.gz VDGBROIWHGXCDQ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000638135634 434963400 /nfs/dbraw/zinc/96/34/00/434963400.db2.gz VDGBROIWHGXCDQ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000638135634 434963404 /nfs/dbraw/zinc/96/34/04/434963404.db2.gz VDGBROIWHGXCDQ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000638135634 434963407 /nfs/dbraw/zinc/96/34/07/434963407.db2.gz VDGBROIWHGXCDQ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000524156151 434970856 /nfs/dbraw/zinc/97/08/56/434970856.db2.gz NKFWAPBAIZCQPG-ZDUSSCGKSA-N 2 1 306.454 3.060 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000524156151 434970861 /nfs/dbraw/zinc/97/08/61/434970861.db2.gz NKFWAPBAIZCQPG-ZDUSSCGKSA-N 2 1 306.454 3.060 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000638379896 435018474 /nfs/dbraw/zinc/01/84/74/435018474.db2.gz QUESYNFLTAGSCN-UHFFFAOYSA-N 2 1 324.468 3.242 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000638390681 435021042 /nfs/dbraw/zinc/02/10/42/435021042.db2.gz MNDWBLIGXULJDL-HNNXBMFYSA-N 2 1 312.461 3.150 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638411461 435026010 /nfs/dbraw/zinc/02/60/10/435026010.db2.gz ISVXYECHLNAYQI-GGPKGHCWSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638411461 435026012 /nfs/dbraw/zinc/02/60/12/435026012.db2.gz ISVXYECHLNAYQI-GGPKGHCWSA-N 2 1 316.489 3.351 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CC2(F)F)cc1F ZINC000638418566 435026565 /nfs/dbraw/zinc/02/65/65/435026565.db2.gz BOKSUZBDRGQJKB-ZWNOBZJWSA-N 2 1 309.335 3.453 20 0 DGADMP COCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC1 ZINC000638420108 435026879 /nfs/dbraw/zinc/02/68/79/435026879.db2.gz LBWDNYHQPGKKTF-UHFFFAOYSA-N 2 1 317.408 3.226 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC2CCOCC2)cc1F ZINC000638420335 435026983 /nfs/dbraw/zinc/02/69/83/435026983.db2.gz NCEKUKABUYNDGU-UHFFFAOYSA-N 2 1 317.408 3.226 20 0 DGADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000574629870 434991873 /nfs/dbraw/zinc/99/18/73/434991873.db2.gz AHMQNMUHCSCQDO-MJGOQNOKSA-N 2 1 303.494 3.017 20 0 DGADMP CC(C)CCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556062613 434994482 /nfs/dbraw/zinc/99/44/82/434994482.db2.gz VMPNOBFGGXQGLS-OALUTQOASA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556062613 434994485 /nfs/dbraw/zinc/99/44/85/434994485.db2.gz VMPNOBFGGXQGLS-OALUTQOASA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)C(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000556385827 435007041 /nfs/dbraw/zinc/00/70/41/435007041.db2.gz LBAPPQVBANNQDX-FQEVSTJZSA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)C(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000556385827 435007048 /nfs/dbraw/zinc/00/70/48/435007048.db2.gz LBAPPQVBANNQDX-FQEVSTJZSA-N 2 1 318.505 3.141 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638356068 435012358 /nfs/dbraw/zinc/01/23/58/435012358.db2.gz VKAGMEOZLBTKNN-YVWKXTFCSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638356068 435012362 /nfs/dbraw/zinc/01/23/62/435012362.db2.gz VKAGMEOZLBTKNN-YVWKXTFCSA-N 2 1 324.472 3.229 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000638610704 435059018 /nfs/dbraw/zinc/05/90/18/435059018.db2.gz DSHCPBVIJKLPBN-BEFAXECRSA-N 2 1 302.462 3.227 20 0 DGADMP CCc1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000530901771 435059499 /nfs/dbraw/zinc/05/94/99/435059499.db2.gz XXWVLUBYICVTIB-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000530901771 435059503 /nfs/dbraw/zinc/05/95/03/435059503.db2.gz XXWVLUBYICVTIB-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000530901771 435059508 /nfs/dbraw/zinc/05/95/08/435059508.db2.gz XXWVLUBYICVTIB-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CCCC2)CC1 ZINC000638636581 435062193 /nfs/dbraw/zinc/06/21/93/435062193.db2.gz DJHZXOFHEFWCRX-BJWYYQGGSA-N 2 1 306.494 3.046 20 0 DGADMP CCc1cc(NCc2c[nH+]c3n2CCCC3)c2ccccc2[nH+]1 ZINC000557689686 435064225 /nfs/dbraw/zinc/06/42/25/435064225.db2.gz ZKQKSMRVSRHQEK-UHFFFAOYSA-N 2 1 306.413 3.364 20 0 DGADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638666479 435065223 /nfs/dbraw/zinc/06/52/23/435065223.db2.gz KUVZEEDFNCLANR-ZIFCJYIRSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638666479 435065227 /nfs/dbraw/zinc/06/52/27/435065227.db2.gz KUVZEEDFNCLANR-ZIFCJYIRSA-N 2 1 302.462 3.105 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000638676698 435067286 /nfs/dbraw/zinc/06/72/86/435067286.db2.gz PZFDVKYDSRNRAH-APWZRJJASA-N 2 1 310.445 3.176 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n[nH]1 ZINC000638676698 435067289 /nfs/dbraw/zinc/06/72/89/435067289.db2.gz PZFDVKYDSRNRAH-APWZRJJASA-N 2 1 310.445 3.176 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc2ccccc2nc1C ZINC000638673983 435067535 /nfs/dbraw/zinc/06/75/35/435067535.db2.gz BXZABTCRZDIHBO-UHFFFAOYSA-N 2 1 309.417 3.013 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638672705 435067562 /nfs/dbraw/zinc/06/75/62/435067562.db2.gz HXSSLSYTOZMOCG-LMMKCTJWSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638672705 435067566 /nfs/dbraw/zinc/06/75/66/435067566.db2.gz HXSSLSYTOZMOCG-LMMKCTJWSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638673969 435068198 /nfs/dbraw/zinc/06/81/98/435068198.db2.gz BWAZPYWDESPALV-GOSISDBHSA-N 2 1 312.461 3.088 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638680045 435069277 /nfs/dbraw/zinc/06/92/77/435069277.db2.gz VDSRJQXWWPOVKP-YTXYEVPYSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638680045 435069279 /nfs/dbraw/zinc/06/92/79/435069279.db2.gz VDSRJQXWWPOVKP-YTXYEVPYSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000638721428 435076765 /nfs/dbraw/zinc/07/67/65/435076765.db2.gz NVAQICDGPXFMRL-OVZGMEQFSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000638721428 435076772 /nfs/dbraw/zinc/07/67/72/435076772.db2.gz NVAQICDGPXFMRL-OVZGMEQFSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765088 435084884 /nfs/dbraw/zinc/08/48/84/435084884.db2.gz JLZOOBDSHZEREE-HHXXYDBFSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765088 435084887 /nfs/dbraw/zinc/08/48/87/435084887.db2.gz JLZOOBDSHZEREE-HHXXYDBFSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000556886585 435037027 /nfs/dbraw/zinc/03/70/27/435037027.db2.gz NIEQVYSNWDPJST-HSFDUWRESA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000556914848 435039164 /nfs/dbraw/zinc/03/91/64/435039164.db2.gz JYZAYCLOQKFICA-VAMGGRTRSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000638478462 435040165 /nfs/dbraw/zinc/04/01/65/435040165.db2.gz ATAXEJIAVKMQJW-ZVZYQTTQSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000638478462 435040168 /nfs/dbraw/zinc/04/01/68/435040168.db2.gz ATAXEJIAVKMQJW-ZVZYQTTQSA-N 2 1 302.462 3.104 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638587651 435055130 /nfs/dbraw/zinc/05/51/30/435055130.db2.gz GYEMTOMAZZYHCW-HOJAQTOUSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638587651 435055132 /nfs/dbraw/zinc/05/51/32/435055132.db2.gz GYEMTOMAZZYHCW-HOJAQTOUSA-N 2 1 316.489 3.495 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638588739 435056027 /nfs/dbraw/zinc/05/60/27/435056027.db2.gz MRFPLAHGYQFTNQ-ICSRJNTNSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638588739 435056031 /nfs/dbraw/zinc/05/60/31/435056031.db2.gz MRFPLAHGYQFTNQ-ICSRJNTNSA-N 2 1 314.473 3.371 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000530866566 435056485 /nfs/dbraw/zinc/05/64/85/435056485.db2.gz FZJNNCBRTNHFGN-BLRBJFNZSA-N 2 1 302.462 3.133 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000560028634 435146719 /nfs/dbraw/zinc/14/67/19/435146719.db2.gz UGIGGPMWZOJTCY-IBGZPJMESA-N 2 1 316.489 3.436 20 0 DGADMP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(Cl)cc1O ZINC000639082670 435147568 /nfs/dbraw/zinc/14/75/68/435147568.db2.gz VOEZNIPDUFRLHC-UHFFFAOYSA-N 2 1 324.852 3.114 20 0 DGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(Cl)cc1O ZINC000639082670 435147571 /nfs/dbraw/zinc/14/75/71/435147571.db2.gz VOEZNIPDUFRLHC-UHFFFAOYSA-N 2 1 324.852 3.114 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000532227619 435149043 /nfs/dbraw/zinc/14/90/43/435149043.db2.gz OEFXZUVPSHYIDF-WOJBJXKFSA-N 2 1 316.489 3.354 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638821199 435096075 /nfs/dbraw/zinc/09/60/75/435096075.db2.gz PRJKHQYTZNHYHI-HQRMLTQVSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638821199 435096079 /nfs/dbraw/zinc/09/60/79/435096079.db2.gz PRJKHQYTZNHYHI-HQRMLTQVSA-N 2 1 316.489 3.353 20 0 DGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)C ZINC000531677570 435109283 /nfs/dbraw/zinc/10/92/83/435109283.db2.gz IELHRACLVQZYCK-JKSUJKDBSA-N 2 1 309.523 3.061 20 0 DGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392377 435120421 /nfs/dbraw/zinc/12/04/21/435120421.db2.gz VKMUEDRCKOSTER-ZWKOTPCHSA-N 2 1 322.880 3.228 20 0 DGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392377 435120427 /nfs/dbraw/zinc/12/04/27/435120427.db2.gz VKMUEDRCKOSTER-ZWKOTPCHSA-N 2 1 322.880 3.228 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000578964507 435122180 /nfs/dbraw/zinc/12/21/80/435122180.db2.gz WBBBKVLRZHOGJI-INIZCTEOSA-N 2 1 317.477 3.176 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000468813822 435127350 /nfs/dbraw/zinc/12/73/50/435127350.db2.gz CBWAJHCUFOKMAO-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000559310715 435127984 /nfs/dbraw/zinc/12/79/84/435127984.db2.gz BRJIXBGJANKSQY-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000559310715 435127987 /nfs/dbraw/zinc/12/79/87/435127987.db2.gz BRJIXBGJANKSQY-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000559310715 435127988 /nfs/dbraw/zinc/12/79/88/435127988.db2.gz BRJIXBGJANKSQY-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000531972365 435130978 /nfs/dbraw/zinc/13/09/78/435130978.db2.gz JVTKAGZEQWDDIA-WOJBJXKFSA-N 2 1 316.489 3.210 20 0 DGADMP OC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639059802 435139672 /nfs/dbraw/zinc/13/96/72/435139672.db2.gz BYLKHQQTXJAOBQ-RZMNMVRNSA-N 2 1 314.473 3.248 20 0 DGADMP OC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639059802 435139676 /nfs/dbraw/zinc/13/96/76/435139676.db2.gz BYLKHQQTXJAOBQ-RZMNMVRNSA-N 2 1 314.473 3.248 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000474053733 435144971 /nfs/dbraw/zinc/14/49/71/435144971.db2.gz MTFIBZVMVCPPHC-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178725 435188157 /nfs/dbraw/zinc/18/81/57/435188157.db2.gz NYGPIPDGHAQDKX-IINYFYTJSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178725 435188160 /nfs/dbraw/zinc/18/81/60/435188160.db2.gz NYGPIPDGHAQDKX-IINYFYTJSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178725 435188163 /nfs/dbraw/zinc/18/81/63/435188163.db2.gz NYGPIPDGHAQDKX-IINYFYTJSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178725 435188167 /nfs/dbraw/zinc/18/81/67/435188167.db2.gz NYGPIPDGHAQDKX-IINYFYTJSA-N 2 1 316.276 3.348 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000639195293 435194234 /nfs/dbraw/zinc/19/42/34/435194234.db2.gz SJRTXMVNQGUYPJ-UHOSZYNNSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000639195293 435194238 /nfs/dbraw/zinc/19/42/38/435194238.db2.gz SJRTXMVNQGUYPJ-UHOSZYNNSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000639209193 435198823 /nfs/dbraw/zinc/19/88/23/435198823.db2.gz OTMJXVOUOMAZRF-UHOSZYNNSA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000639209193 435198827 /nfs/dbraw/zinc/19/88/27/435198827.db2.gz OTMJXVOUOMAZRF-UHOSZYNNSA-N 2 1 316.489 3.494 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3=CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639219696 435202819 /nfs/dbraw/zinc/20/28/19/435202819.db2.gz OYWXAQBKKBECOE-ICSRJNTNSA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3=CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639219696 435202824 /nfs/dbraw/zinc/20/28/24/435202824.db2.gz OYWXAQBKKBECOE-ICSRJNTNSA-N 2 1 312.457 3.291 20 0 DGADMP CCC1CC([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000560247381 435155597 /nfs/dbraw/zinc/15/55/97/435155597.db2.gz OARWQZQRZVFQNQ-LYBXBRPPSA-N 2 1 315.505 3.143 20 0 DGADMP CC[C@](C)(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114097 435159932 /nfs/dbraw/zinc/15/99/32/435159932.db2.gz FDOHFXNPFPENIX-GOSISDBHSA-N 2 1 305.466 3.214 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1OCCc2sccc21 ZINC000579545885 435161657 /nfs/dbraw/zinc/16/16/57/435161657.db2.gz GOMODZUFEMFORY-ACJLOTCBSA-N 2 1 320.502 3.214 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000639117593 435161725 /nfs/dbraw/zinc/16/17/25/435161725.db2.gz IXCDRRCUMWTEFR-GOSISDBHSA-N 2 1 304.503 3.241 20 0 DGADMP CC1CCC([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000532442350 435165116 /nfs/dbraw/zinc/16/51/16/435165116.db2.gz TWYANYZIQIGROI-JCYILVPMSA-N 2 1 321.534 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000579647803 435171758 /nfs/dbraw/zinc/17/17/58/435171758.db2.gz VYBYKJYMPVANIW-SJLPKXTDSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H](CC2CC2)c2ccccc2)CCOCC1 ZINC000532510678 435172198 /nfs/dbraw/zinc/17/21/98/435172198.db2.gz HQIZFWSKFTVKLW-GOSISDBHSA-N 2 1 302.462 3.228 20 0 DGADMP OC1(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639148088 435174730 /nfs/dbraw/zinc/17/47/30/435174730.db2.gz BLHBELAYQVOQEO-PKOBYXMFSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639148088 435174733 /nfs/dbraw/zinc/17/47/33/435174733.db2.gz BLHBELAYQVOQEO-PKOBYXMFSA-N 2 1 314.473 3.249 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCC[C@@H]4CCO4)C3)C2)cc1 ZINC000639162477 435178322 /nfs/dbraw/zinc/17/83/22/435178322.db2.gz SGFNHXRSINLGEU-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCC[C@@H]4CCO4)C3)C2)cc1 ZINC000639162477 435178326 /nfs/dbraw/zinc/17/83/26/435178326.db2.gz SGFNHXRSINLGEU-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCC[C@@H]4CCO4)C3)C2)cc1 ZINC000639162477 435178329 /nfs/dbraw/zinc/17/83/29/435178329.db2.gz SGFNHXRSINLGEU-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000639177770 435183314 /nfs/dbraw/zinc/18/33/14/435183314.db2.gz GAURRZKUDQPTET-YTQUADARSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000639177770 435183318 /nfs/dbraw/zinc/18/33/18/435183318.db2.gz GAURRZKUDQPTET-YTQUADARSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000639177770 435183322 /nfs/dbraw/zinc/18/33/22/435183322.db2.gz GAURRZKUDQPTET-YTQUADARSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000639177770 435183326 /nfs/dbraw/zinc/18/33/26/435183326.db2.gz GAURRZKUDQPTET-YTQUADARSA-N 2 1 304.478 3.425 20 0 DGADMP COC[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000561354879 435213790 /nfs/dbraw/zinc/21/37/90/435213790.db2.gz ROVRAXRXXQTXQO-ZIFCJYIRSA-N 2 1 304.478 3.332 20 0 DGADMP COC[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000561354879 435213797 /nfs/dbraw/zinc/21/37/97/435213797.db2.gz ROVRAXRXXQTXQO-ZIFCJYIRSA-N 2 1 304.478 3.332 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2O)C[C@H]1c1ccccc1 ZINC000561273100 435209917 /nfs/dbraw/zinc/20/99/17/435209917.db2.gz WKOVNIBWDTWMMG-OALUTQOASA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)C[C@H]1c1ccccc1 ZINC000561273100 435209922 /nfs/dbraw/zinc/20/99/22/435209922.db2.gz WKOVNIBWDTWMMG-OALUTQOASA-N 2 1 310.441 3.360 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000580182185 435211277 /nfs/dbraw/zinc/21/12/77/435211277.db2.gz PKSQAGZDOCBMRE-JTQLQIEISA-N 2 1 303.219 3.238 20 0 DGADMP Cc1nc(CN[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[nH]c1C ZINC000583883263 435252708 /nfs/dbraw/zinc/25/27/08/435252708.db2.gz LMYDAOLCJZHOLP-SFHVURJKSA-N 2 1 314.477 3.273 20 0 DGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCC[NH3+] ZINC000643056211 435264745 /nfs/dbraw/zinc/26/47/45/435264745.db2.gz AOMMSSQORDBSMV-HNNXBMFYSA-N 2 1 311.429 3.281 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639362879 435266320 /nfs/dbraw/zinc/26/63/20/435266320.db2.gz LLNWIKRHCDULAU-GGPKGHCWSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639362879 435266325 /nfs/dbraw/zinc/26/63/25/435266325.db2.gz LLNWIKRHCDULAU-GGPKGHCWSA-N 2 1 316.489 3.495 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000639380395 435275620 /nfs/dbraw/zinc/27/56/20/435275620.db2.gz YIOIIBFPRCFUGT-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000639380498 435275706 /nfs/dbraw/zinc/27/57/06/435275706.db2.gz ZJKWIRIVYYWESJ-UHFFFAOYSA-N 2 1 313.445 3.247 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCCCC1 ZINC000534798374 435301052 /nfs/dbraw/zinc/30/10/52/435301052.db2.gz JLJXZHPADNVYTE-BBWFWOEESA-N 2 1 306.494 3.188 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000648444610 435303209 /nfs/dbraw/zinc/30/32/09/435303209.db2.gz IZKWELWVCCKVGT-VAMGGRTRSA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000639358717 435262788 /nfs/dbraw/zinc/26/27/88/435262788.db2.gz AEFRKROTXOJXFU-QXAKKESOSA-N 2 1 304.478 3.159 20 0 DGADMP CC[N@H+](CCC(F)(F)F)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057599 435263855 /nfs/dbraw/zinc/26/38/55/435263855.db2.gz ZPKUCIJXURIGFX-CYBMUJFWSA-N 2 1 304.356 3.012 20 0 DGADMP CC[N@@H+](CCC(F)(F)F)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057599 435263862 /nfs/dbraw/zinc/26/38/62/435263862.db2.gz ZPKUCIJXURIGFX-CYBMUJFWSA-N 2 1 304.356 3.012 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CCOC3)C[C@H]1C ZINC000639509449 435324617 /nfs/dbraw/zinc/32/46/17/435324617.db2.gz CBMNWJQJOQLHHA-CRAIPNDOSA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2CCOC3)C[C@H]1C ZINC000639509449 435324620 /nfs/dbraw/zinc/32/46/20/435324620.db2.gz CBMNWJQJOQLHHA-CRAIPNDOSA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CCOC3)C[C@H]1C ZINC000639509449 435324625 /nfs/dbraw/zinc/32/46/25/435324625.db2.gz CBMNWJQJOQLHHA-CRAIPNDOSA-N 2 1 302.462 3.064 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CCOC)c2ccccc2)C1 ZINC000535279751 435328059 /nfs/dbraw/zinc/32/80/59/435328059.db2.gz DSNRAHUFPSLHRC-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000535279751 435328066 /nfs/dbraw/zinc/32/80/66/435328066.db2.gz DSNRAHUFPSLHRC-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000535279751 435328069 /nfs/dbraw/zinc/32/80/69/435328069.db2.gz DSNRAHUFPSLHRC-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000643522755 435340932 /nfs/dbraw/zinc/34/09/32/435340932.db2.gz COPGUXQMKJCZOE-INIZCTEOSA-N 3 1 309.542 3.397 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc[nH]c(=O)c2)CC1)CC1CC1 ZINC000639558973 435343431 /nfs/dbraw/zinc/34/34/31/435343431.db2.gz LZPRJTGWCVELOL-UHFFFAOYSA-N 2 1 317.477 3.121 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000535724343 435343407 /nfs/dbraw/zinc/34/34/07/435343407.db2.gz JDOPNQGCPFHAAW-YHUYYLMFSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000643529374 435344644 /nfs/dbraw/zinc/34/46/44/435344644.db2.gz YZURKZZFJRHDJX-MADCSZMMSA-N 2 1 303.631 3.027 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000643529046 435344725 /nfs/dbraw/zinc/34/47/25/435344725.db2.gz UAPATACZLOIWAX-GXFFZTMASA-N 2 1 305.422 3.263 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000643527377 435345038 /nfs/dbraw/zinc/34/50/38/435345038.db2.gz LWQCEHJLXXDWIT-MWODSPESSA-N 2 1 315.280 3.169 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1N(C)C ZINC000643545874 435349416 /nfs/dbraw/zinc/34/94/16/435349416.db2.gz DTJWZCSPGUPSDC-UKRRQHHQSA-N 2 1 305.441 3.217 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000643547045 435349680 /nfs/dbraw/zinc/34/96/80/435349680.db2.gz YXGQVVXRAYHTJU-LPHOPBHVSA-N 2 1 324.472 3.257 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643547378 435349786 /nfs/dbraw/zinc/34/97/86/435349786.db2.gz DQDKDXMDMQEQIV-WMLDXEAASA-N 2 1 316.445 3.173 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(C(C)(C)C)cs3)C2)CC1 ZINC000639758329 435408825 /nfs/dbraw/zinc/40/88/25/435408825.db2.gz UCHBABZASPSSMB-UHFFFAOYSA-N 2 1 307.507 3.358 20 0 DGADMP CO[C@@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639756432 435408975 /nfs/dbraw/zinc/40/89/75/435408975.db2.gz VEUNAPXSLXMPGF-KRWDZBQOSA-N 2 1 322.880 3.445 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758335 435410254 /nfs/dbraw/zinc/41/02/54/435410254.db2.gz UDSZARGALQZQSU-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000536826477 435413774 /nfs/dbraw/zinc/41/37/74/435413774.db2.gz LGTRBUWGKWLGAK-PIKOESSRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000536864988 435415535 /nfs/dbraw/zinc/41/55/35/435415535.db2.gz RTGIWGRPUAQTLA-DOTOQJQBSA-N 2 1 304.478 3.293 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000536856462 435416061 /nfs/dbraw/zinc/41/60/61/435416061.db2.gz FYKVXHCMPLTRCN-GXTWGEPZSA-N 2 1 316.367 3.014 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@@H](C)C1 ZINC000536854719 435416646 /nfs/dbraw/zinc/41/66/46/435416646.db2.gz WAHGCQTUVIMKSV-WMZOPIPTSA-N 2 1 324.534 3.407 20 0 DGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000536066677 435368785 /nfs/dbraw/zinc/36/87/85/435368785.db2.gz HOLGITVHVNPKOB-HIFRSBDPSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@H](c2nccn2C)C1 ZINC000536066677 435368788 /nfs/dbraw/zinc/36/87/88/435368788.db2.gz HOLGITVHVNPKOB-HIFRSBDPSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@H]1COCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000512895063 435373259 /nfs/dbraw/zinc/37/32/59/435373259.db2.gz NMYUJAYRQFNJLZ-HKUYNNGSSA-N 2 1 318.505 3.407 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000513204509 435381300 /nfs/dbraw/zinc/38/13/00/435381300.db2.gz SFGFJXPTTHWSIE-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513204509 435381304 /nfs/dbraw/zinc/38/13/04/435381304.db2.gz SFGFJXPTTHWSIE-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513204509 435381308 /nfs/dbraw/zinc/38/13/08/435381308.db2.gz SFGFJXPTTHWSIE-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000568062036 435385047 /nfs/dbraw/zinc/38/50/47/435385047.db2.gz AXBYBCFWCDUYAB-SJLPKXTDSA-N 2 1 302.462 3.092 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCCN(c3cc[nH+]cc3)CC1)CC2 ZINC000639682684 435391358 /nfs/dbraw/zinc/39/13/58/435391358.db2.gz JGDVAKZJCFIVSN-IBGZPJMESA-N 2 1 311.404 3.420 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568162051 435398528 /nfs/dbraw/zinc/39/85/28/435398528.db2.gz NDETXJVWYDMYMZ-KSSFIOAISA-N 2 1 311.429 3.069 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568162051 435398531 /nfs/dbraw/zinc/39/85/31/435398531.db2.gz NDETXJVWYDMYMZ-KSSFIOAISA-N 2 1 311.429 3.069 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000482089178 435451337 /nfs/dbraw/zinc/45/13/37/435451337.db2.gz PIHHKJRAAPLRRJ-CRAIPNDOSA-N 2 1 304.478 3.432 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000515050089 435459119 /nfs/dbraw/zinc/45/91/19/435459119.db2.gz BIBQLBMUOFBJJS-CQSZACIVSA-N 2 1 300.368 3.091 20 0 DGADMP CCCC[N@@H+](CC)Cc1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000644586896 435464268 /nfs/dbraw/zinc/46/42/68/435464268.db2.gz MNRAPIDFEQPPNW-UHFFFAOYSA-N 2 1 304.478 3.313 20 0 DGADMP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1c[nH+]ccc1N ZINC000568740643 435465018 /nfs/dbraw/zinc/46/50/18/435465018.db2.gz PWNUXFIBCDOIRR-SJCJKPOMSA-N 2 1 318.852 3.101 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000482693404 435479712 /nfs/dbraw/zinc/47/97/12/435479712.db2.gz OXRCQBVYOQHBSN-HKUYNNGSSA-N 2 1 311.473 3.415 20 0 DGADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]3[C@H]3CCCOC3)c2)cn1 ZINC000568392595 435431742 /nfs/dbraw/zinc/43/17/42/435431742.db2.gz MMCUPLJWRQRRRP-YOEHRIQHSA-N 2 1 317.458 3.325 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220203 435521870 /nfs/dbraw/zinc/52/18/70/435521870.db2.gz NWUFAVVNENAGEL-PBHICJAKSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220203 435521875 /nfs/dbraw/zinc/52/18/75/435521875.db2.gz NWUFAVVNENAGEL-PBHICJAKSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220203 435521878 /nfs/dbraw/zinc/52/18/78/435521878.db2.gz NWUFAVVNENAGEL-PBHICJAKSA-N 2 1 310.844 3.438 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483477722 435523233 /nfs/dbraw/zinc/52/32/33/435523233.db2.gz KAMJJRWDEWAVII-RBUKOAKNSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483477722 435523236 /nfs/dbraw/zinc/52/32/36/435523236.db2.gz KAMJJRWDEWAVII-RBUKOAKNSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483477722 435523238 /nfs/dbraw/zinc/52/32/38/435523238.db2.gz KAMJJRWDEWAVII-RBUKOAKNSA-N 2 1 316.489 3.488 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000644835008 435524310 /nfs/dbraw/zinc/52/43/10/435524310.db2.gz SVNBPTPBVDVASV-DLBZAZTESA-N 2 1 324.415 3.104 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000539091987 435536872 /nfs/dbraw/zinc/53/68/72/435536872.db2.gz LXDWMZHGCNZOOY-YPMHNXCESA-N 2 1 317.260 3.302 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2ccncc2C)CC1 ZINC000639987971 435482255 /nfs/dbraw/zinc/48/22/55/435482255.db2.gz ULIDDGQDFMRQOB-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP CCC1([NH+]2CCCC2)CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000639987571 435482940 /nfs/dbraw/zinc/48/29/40/435482940.db2.gz DZZLPWNXHLAPJW-SFHVURJKSA-N 3 1 307.526 3.201 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000568920631 435485693 /nfs/dbraw/zinc/48/56/93/435485693.db2.gz MZLFOCNZPYRAAB-VQHPVUNQSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000568920631 435485699 /nfs/dbraw/zinc/48/56/99/435485699.db2.gz MZLFOCNZPYRAAB-VQHPVUNQSA-N 2 1 312.498 3.064 20 0 DGADMP CCO[C@H]1C[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000569600365 435547439 /nfs/dbraw/zinc/54/74/39/435547439.db2.gz ASIPCCHFGZQYMF-BTRQGYIVSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539508459 435556347 /nfs/dbraw/zinc/55/63/47/435556347.db2.gz AJPFDIBOGWFRGV-IFXJQAMLSA-N 2 1 320.452 3.366 20 0 DGADMP CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000569754739 435559224 /nfs/dbraw/zinc/55/92/24/435559224.db2.gz MYLCQYUOVSUWHY-VNTMZGSJSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[N@H+](Cc1ccccn1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000569852551 435566643 /nfs/dbraw/zinc/56/66/43/435566643.db2.gz RUVNOZOYQHKLOZ-INIZCTEOSA-N 2 1 301.409 3.174 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@@H]3CCCO3)C2)s1 ZINC000516995887 435568577 /nfs/dbraw/zinc/56/85/77/435568577.db2.gz GKVJOBKAEVHPHJ-SJORKVTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@@H]3CCCO3)C2)s1 ZINC000516995887 435568581 /nfs/dbraw/zinc/56/85/81/435568581.db2.gz GKVJOBKAEVHPHJ-SJORKVTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@@H]3CCCO3)C2)s1 ZINC000516995887 435568585 /nfs/dbraw/zinc/56/85/85/435568585.db2.gz GKVJOBKAEVHPHJ-SJORKVTESA-N 2 1 322.518 3.379 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+](C[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411049 435580724 /nfs/dbraw/zinc/58/07/24/435580724.db2.gz JKWNSQWFEFNGBM-KGLIPLIRSA-N 2 1 301.459 3.085 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416601 435582666 /nfs/dbraw/zinc/58/26/66/435582666.db2.gz FWFKWNOBUHUEAK-YJBOKZPZSA-N 2 1 311.429 3.433 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416601 435582670 /nfs/dbraw/zinc/58/26/70/435582670.db2.gz FWFKWNOBUHUEAK-YJBOKZPZSA-N 2 1 311.429 3.433 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCOC2)CC1)CC1CC1 ZINC000540049085 435585329 /nfs/dbraw/zinc/58/53/29/435585329.db2.gz CMPVJIFXDSSDIB-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000486088365 435588388 /nfs/dbraw/zinc/58/83/88/435588388.db2.gz RKIXVMMRIRVNSP-YUELXQCFSA-N 2 1 300.368 3.262 20 0 DGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168075 435540435 /nfs/dbraw/zinc/54/04/35/435540435.db2.gz ABXXLFPEQQSNJS-DFQSSKMNSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168075 435540437 /nfs/dbraw/zinc/54/04/37/435540437.db2.gz ABXXLFPEQQSNJS-DFQSSKMNSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@@H](OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000649539392 435616811 /nfs/dbraw/zinc/61/68/11/435616811.db2.gz TWOLGYVKHDLBAN-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000649539392 435616817 /nfs/dbraw/zinc/61/68/17/435616817.db2.gz TWOLGYVKHDLBAN-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000649539392 435616823 /nfs/dbraw/zinc/61/68/23/435616823.db2.gz TWOLGYVKHDLBAN-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)CC(C)C ZINC000488074053 435633737 /nfs/dbraw/zinc/63/37/37/435633737.db2.gz MCXYBBOTIWQQMR-BSDSXHPESA-N 2 1 308.510 3.290 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000540285845 435596364 /nfs/dbraw/zinc/59/63/64/435596364.db2.gz QNPRKBQCKFJBSE-GDBMZVCRSA-N 2 1 306.413 3.232 20 0 DGADMP Cn1c2ccccc2nc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532510 435598591 /nfs/dbraw/zinc/59/85/91/435598591.db2.gz FOHFVTSZEPBNAK-UHFFFAOYSA-N 2 1 314.477 3.271 20 0 DGADMP Cn1c2ccccc2nc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532510 435598595 /nfs/dbraw/zinc/59/85/95/435598595.db2.gz FOHFVTSZEPBNAK-UHFFFAOYSA-N 2 1 314.477 3.271 20 0 DGADMP C[NH+](C)CCCCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000517644218 435603955 /nfs/dbraw/zinc/60/39/55/435603955.db2.gz MICXWUZTRRFEAZ-UHFFFAOYSA-N 2 1 311.857 3.072 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)C(C)(C)C)C2)s1 ZINC000649603481 435640315 /nfs/dbraw/zinc/64/03/15/435640315.db2.gz OVUOYOPITNDLEH-DOTOQJQBSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)C(C)(C)C)C2)s1 ZINC000649603481 435640319 /nfs/dbraw/zinc/64/03/19/435640319.db2.gz OVUOYOPITNDLEH-DOTOQJQBSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)C(C)(C)C)C2)s1 ZINC000649603482 435641006 /nfs/dbraw/zinc/64/10/06/435641006.db2.gz OVUOYOPITNDLEH-NVXWUHKLSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)C(C)(C)C)C2)s1 ZINC000649603482 435641011 /nfs/dbraw/zinc/64/10/11/435641011.db2.gz OVUOYOPITNDLEH-NVXWUHKLSA-N 2 1 324.534 3.217 20 0 DGADMP CC[C@@H](OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617508 435645415 /nfs/dbraw/zinc/64/54/15/435645415.db2.gz LZSKTLBHUOIYAB-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@@H](OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617508 435645418 /nfs/dbraw/zinc/64/54/18/435645418.db2.gz LZSKTLBHUOIYAB-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000649617508 435645421 /nfs/dbraw/zinc/64/54/21/435645421.db2.gz LZSKTLBHUOIYAB-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000649617508 435645426 /nfs/dbraw/zinc/64/54/26/435645426.db2.gz LZSKTLBHUOIYAB-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](CNCc1[nH+]c(C(C)C)n2ccccc12)[NH+]1CCCC1 ZINC000570974199 435666781 /nfs/dbraw/zinc/66/67/81/435666781.db2.gz YANIUJKCFSQJBY-MRXNPFEDSA-N 2 1 314.477 3.422 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOc1ccccc1Cl ZINC000518393676 435638925 /nfs/dbraw/zinc/63/89/25/435638925.db2.gz IIZIMEAKXUBMJS-UHFFFAOYSA-N 2 1 307.825 3.017 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOc1ccccc1Cl ZINC000518393676 435638928 /nfs/dbraw/zinc/63/89/28/435638928.db2.gz IIZIMEAKXUBMJS-UHFFFAOYSA-N 2 1 307.825 3.017 20 0 DGADMP CS[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000519586924 435691373 /nfs/dbraw/zinc/69/13/73/435691373.db2.gz ROADTWUPRSMNFK-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP CS[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](SC)C2)C1 ZINC000519586924 435691379 /nfs/dbraw/zinc/69/13/79/435691379.db2.gz ROADTWUPRSMNFK-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP CS[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](SC)C2)C1 ZINC000519586924 435691383 /nfs/dbraw/zinc/69/13/83/435691383.db2.gz ROADTWUPRSMNFK-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645802825 435694800 /nfs/dbraw/zinc/69/48/00/435694800.db2.gz QHRKNKOXIJBKEK-GUDVDZBRSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802825 435694804 /nfs/dbraw/zinc/69/48/04/435694804.db2.gz QHRKNKOXIJBKEK-GUDVDZBRSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802825 435694808 /nfs/dbraw/zinc/69/48/08/435694808.db2.gz QHRKNKOXIJBKEK-GUDVDZBRSA-N 2 1 308.510 3.390 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3=CCCC3)CC2)CC1 ZINC000645813306 435698009 /nfs/dbraw/zinc/69/80/09/435698009.db2.gz DLJDQFNMQGLFQV-UHFFFAOYSA-N 3 1 319.537 3.225 20 0 DGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1=CCCC1 ZINC000645813306 435698011 /nfs/dbraw/zinc/69/80/11/435698011.db2.gz DLJDQFNMQGLFQV-UHFFFAOYSA-N 3 1 319.537 3.225 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1=CCCC1 ZINC000645813306 435698013 /nfs/dbraw/zinc/69/80/13/435698013.db2.gz DLJDQFNMQGLFQV-UHFFFAOYSA-N 3 1 319.537 3.225 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000571697699 435729443 /nfs/dbraw/zinc/72/94/43/435729443.db2.gz KPJLFPHSTFERGL-MRXNPFEDSA-N 2 1 301.409 3.056 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000571697699 435729447 /nfs/dbraw/zinc/72/94/47/435729447.db2.gz KPJLFPHSTFERGL-MRXNPFEDSA-N 2 1 301.409 3.056 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660415987 435732643 /nfs/dbraw/zinc/73/26/43/435732643.db2.gz CBCQCRCLWRHCEE-QZTJIDSGSA-N 2 1 320.525 3.135 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000641385967 435733688 /nfs/dbraw/zinc/73/36/88/435733688.db2.gz UHDIUEFFXNTIBU-OAHLLOKOSA-N 2 1 317.477 3.292 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655702194 435736094 /nfs/dbraw/zinc/73/60/94/435736094.db2.gz ZGSGPEOTFIPLFA-LPHOPBHVSA-N 2 1 302.462 3.023 20 0 DGADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn2c1CCCC2 ZINC000655704320 435737402 /nfs/dbraw/zinc/73/74/02/435737402.db2.gz AKLFTCJQDBYQOH-UHFFFAOYSA-N 2 1 324.472 3.105 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)c2ccccc21 ZINC000571789048 435738290 /nfs/dbraw/zinc/73/82/90/435738290.db2.gz GKGNONWSYYFCHD-UXHICEINSA-N 2 1 318.424 3.166 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000655708772 435739362 /nfs/dbraw/zinc/73/93/62/435739362.db2.gz OHQCQGQQUXDYNB-NZSAHSFTSA-N 2 1 318.530 3.425 20 0 DGADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655714593 435741881 /nfs/dbraw/zinc/74/18/81/435741881.db2.gz AJNOXCCPGMPIAJ-AOIWGVFYSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(C[NH+](C)C/C=C/C[N@H+](C)Cc2ccc(C)cn2)nc1 ZINC000649902729 435742695 /nfs/dbraw/zinc/74/26/95/435742695.db2.gz FWUQOFJBLBQLMW-AATRIKPKSA-N 2 1 324.472 3.213 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000549137496 435742935 /nfs/dbraw/zinc/74/29/35/435742935.db2.gz UEVXBWLSZHNUMB-QZTJIDSGSA-N 2 1 306.494 3.429 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000655711011 435743451 /nfs/dbraw/zinc/74/34/51/435743451.db2.gz GNKGMRXCPGYIOQ-UHFFFAOYSA-N 2 1 323.444 3.174 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000655720443 435747907 /nfs/dbraw/zinc/74/79/07/435747907.db2.gz XGNZDLYMOCCOBV-DNVCBOLYSA-N 2 1 320.477 3.142 20 0 DGADMP CC(C[NH+]1CC[C@@]2(CC2(F)F)C1)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649906855 435748806 /nfs/dbraw/zinc/74/88/06/435748806.db2.gz DOGPMOJXWDMVLC-ZIAGYGMSSA-N 2 1 320.374 3.085 20 0 DGADMP Clc1ccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655725036 435751412 /nfs/dbraw/zinc/75/14/12/435751412.db2.gz LLIFHWOHQKPUSR-GOSISDBHSA-N 2 1 322.880 3.116 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655725952 435754314 /nfs/dbraw/zinc/75/43/14/435754314.db2.gz OGPXIAFLEMONIK-PBHICJAKSA-N 2 1 322.518 3.221 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000655818497 435821262 /nfs/dbraw/zinc/82/12/62/435821262.db2.gz TVDBWAXQUNBFFN-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000655818497 435821265 /nfs/dbraw/zinc/82/12/65/435821265.db2.gz TVDBWAXQUNBFFN-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000655777849 435794031 /nfs/dbraw/zinc/79/40/31/435794031.db2.gz ZXLFAHLXQKYZCP-ZDUSSCGKSA-N 2 1 320.868 3.121 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000550142845 435794747 /nfs/dbraw/zinc/79/47/47/435794747.db2.gz KCMTVHNZJHLSNZ-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000550142845 435794752 /nfs/dbraw/zinc/79/47/52/435794752.db2.gz KCMTVHNZJHLSNZ-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCC[C@H]1C1CC1 ZINC000655777668 435795111 /nfs/dbraw/zinc/79/51/11/435795111.db2.gz WBUNGQRJRGAIBT-WDSOQIARSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC2CCC1CC2 ZINC000655780825 435795555 /nfs/dbraw/zinc/79/55/55/435795555.db2.gz LYHQTFGKMTXFSZ-HOACVFOXSA-N 2 1 320.521 3.434 20 0 DGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cncnc1C)C1CCCCC1 ZINC000655791020 435800917 /nfs/dbraw/zinc/80/09/17/435800917.db2.gz FLTKAENQCBLRPK-HNNXBMFYSA-N 2 1 304.482 3.480 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cncnc1C)C1CCCCC1 ZINC000655791020 435800925 /nfs/dbraw/zinc/80/09/25/435800925.db2.gz FLTKAENQCBLRPK-HNNXBMFYSA-N 2 1 304.482 3.480 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000550704014 435809658 /nfs/dbraw/zinc/80/96/58/435809658.db2.gz RFSDRWUHPIALHF-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccn21 ZINC000651736265 435811750 /nfs/dbraw/zinc/81/17/50/435811750.db2.gz RVJGFSQKKVFRKJ-PBHICJAKSA-N 2 1 312.461 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccn21 ZINC000651736265 435811754 /nfs/dbraw/zinc/81/17/54/435811754.db2.gz RVJGFSQKKVFRKJ-PBHICJAKSA-N 2 1 312.461 3.030 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000651750157 435813345 /nfs/dbraw/zinc/81/33/45/435813345.db2.gz YGYNHONZAXNGEW-UHFFFAOYSA-N 2 1 312.461 3.065 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000551029405 435819167 /nfs/dbraw/zinc/81/91/67/435819167.db2.gz CPAIHBJFQGIVCQ-IBGZPJMESA-N 2 1 321.553 3.353 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000651600495 435764663 /nfs/dbraw/zinc/76/46/63/435764663.db2.gz VVZMZZRNGZKKAP-UHFFFAOYSA-N 2 1 310.445 3.108 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)o1 ZINC000660479151 435770035 /nfs/dbraw/zinc/77/00/35/435770035.db2.gz FHNZUEZSQXIHFR-OAHLLOKOSA-N 2 1 314.433 3.204 20 0 DGADMP Cc1nc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)o1 ZINC000660479151 435770043 /nfs/dbraw/zinc/77/00/43/435770043.db2.gz FHNZUEZSQXIHFR-OAHLLOKOSA-N 2 1 314.433 3.204 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1=CCCCC1 ZINC000655756905 435775653 /nfs/dbraw/zinc/77/56/53/435775653.db2.gz KUVIQSHGELAYGF-GOSISDBHSA-N 2 1 306.494 3.356 20 0 DGADMP CC(C)c1[nH+]c(CNCCC[NH+]2CCCCC2)c2ccccn21 ZINC000651669066 435784492 /nfs/dbraw/zinc/78/44/92/435784492.db2.gz CXRNFTMMLWMQAC-UHFFFAOYSA-N 2 1 314.477 3.423 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CCC[C@@H](C)C2)c2ccccn21 ZINC000651677846 435786619 /nfs/dbraw/zinc/78/66/19/435786619.db2.gz WSPRAHZDYTUVBY-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCC[C@@H](C)C2)c2ccccn21 ZINC000651677846 435786626 /nfs/dbraw/zinc/78/66/26/435786626.db2.gz WSPRAHZDYTUVBY-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000641799914 435827596 /nfs/dbraw/zinc/82/75/96/435827596.db2.gz SOLTZPLWNNHSPE-ZQIUZPCESA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C ZINC000641806280 435828085 /nfs/dbraw/zinc/82/80/85/435828085.db2.gz ILMUXQKSNJUIAC-MGPQQGTHSA-N 2 1 323.868 3.116 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C ZINC000641806280 435828092 /nfs/dbraw/zinc/82/80/92/435828092.db2.gz ILMUXQKSNJUIAC-MGPQQGTHSA-N 2 1 323.868 3.116 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1nsc3ccccc31)CC[NH2+]CC2 ZINC000641799189 435828816 /nfs/dbraw/zinc/82/88/16/435828816.db2.gz KYFSRPYHIAAFGX-CYBMUJFWSA-N 2 1 301.459 3.260 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000641808713 435829038 /nfs/dbraw/zinc/82/90/38/435829038.db2.gz ZZEBYNGSYUUYJI-RCBQFDQVSA-N 2 1 317.477 3.027 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000641823144 435834902 /nfs/dbraw/zinc/83/49/02/435834902.db2.gz REPCQURZNXDDAC-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1OC(F)F)C2 ZINC000660653233 435842627 /nfs/dbraw/zinc/84/26/27/435842627.db2.gz QBWCANZKSWKWCA-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(OC(F)F)cc1)C2 ZINC000660655457 435843098 /nfs/dbraw/zinc/84/30/98/435843098.db2.gz NKLKNYWRPVTFCM-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655457 435843101 /nfs/dbraw/zinc/84/31/01/435843101.db2.gz NKLKNYWRPVTFCM-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655457 435843106 /nfs/dbraw/zinc/84/31/06/435843106.db2.gz NKLKNYWRPVTFCM-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655457 435843111 /nfs/dbraw/zinc/84/31/11/435843111.db2.gz NKLKNYWRPVTFCM-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655457 435843116 /nfs/dbraw/zinc/84/31/16/435843116.db2.gz NKLKNYWRPVTFCM-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCOc1cccc(Cl)c1)C2 ZINC000660653237 435844811 /nfs/dbraw/zinc/84/48/11/435844811.db2.gz QCIOCNQPYALFBT-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc(Cl)c1)C2 ZINC000660653237 435844816 /nfs/dbraw/zinc/84/48/16/435844816.db2.gz QCIOCNQPYALFBT-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc(Cl)c1)C2 ZINC000660653237 435844821 /nfs/dbraw/zinc/84/48/21/435844821.db2.gz QCIOCNQPYALFBT-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662385 435845753 /nfs/dbraw/zinc/84/57/53/435845753.db2.gz JMINAAXXKPMZQX-QZTJIDSGSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662385 435845755 /nfs/dbraw/zinc/84/57/55/435845755.db2.gz JMINAAXXKPMZQX-QZTJIDSGSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662385 435845761 /nfs/dbraw/zinc/84/57/61/435845761.db2.gz JMINAAXXKPMZQX-QZTJIDSGSA-N 2 1 322.880 3.445 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659164 435847062 /nfs/dbraw/zinc/84/70/62/435847062.db2.gz LBGMWFMDQQDYRT-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659164 435847066 /nfs/dbraw/zinc/84/70/66/435847066.db2.gz LBGMWFMDQQDYRT-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659164 435847071 /nfs/dbraw/zinc/84/70/71/435847071.db2.gz LBGMWFMDQQDYRT-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000651865639 435847073 /nfs/dbraw/zinc/84/70/73/435847073.db2.gz BMTOJLCBUNMXMF-UHFFFAOYSA-N 2 1 307.463 3.471 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000651865639 435847078 /nfs/dbraw/zinc/84/70/78/435847078.db2.gz BMTOJLCBUNMXMF-UHFFFAOYSA-N 2 1 307.463 3.471 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000572631847 435849267 /nfs/dbraw/zinc/84/92/67/435849267.db2.gz JEDDMHOZKXFVBR-ZBFHGGJFSA-N 2 1 308.491 3.026 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000572631847 435849273 /nfs/dbraw/zinc/84/92/73/435849273.db2.gz JEDDMHOZKXFVBR-ZBFHGGJFSA-N 2 1 308.491 3.026 20 0 DGADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000651865819 435850595 /nfs/dbraw/zinc/85/05/95/435850595.db2.gz IUTPSMOKQLTJPQ-UHFFFAOYSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000651865819 435850602 /nfs/dbraw/zinc/85/06/02/435850602.db2.gz IUTPSMOKQLTJPQ-UHFFFAOYSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000651865819 435850607 /nfs/dbraw/zinc/85/06/07/435850607.db2.gz IUTPSMOKQLTJPQ-UHFFFAOYSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651894102 435855911 /nfs/dbraw/zinc/85/59/11/435855911.db2.gz RDWUFJUFQYVSKZ-XEYPJELSSA-N 2 1 318.505 3.426 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccccn3)C2)s1 ZINC000572682554 435855895 /nfs/dbraw/zinc/85/58/95/435855895.db2.gz KTSZZVHBZRKELF-INIZCTEOSA-N 2 1 315.486 3.405 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651894102 435855916 /nfs/dbraw/zinc/85/59/16/435855916.db2.gz RDWUFJUFQYVSKZ-XEYPJELSSA-N 2 1 318.505 3.426 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000572736735 435862366 /nfs/dbraw/zinc/86/23/66/435862366.db2.gz BENHPTHPZGEJQU-LBPRGKRZSA-N 2 1 314.271 3.227 20 0 DGADMP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000572751555 435862809 /nfs/dbraw/zinc/86/28/09/435862809.db2.gz MKLFEWJOZPCRND-VVLHAWIVSA-N 2 1 304.478 3.023 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777951 435864260 /nfs/dbraw/zinc/86/42/60/435864260.db2.gz UMQHZOLDHMQYNA-OWYHZJEWSA-N 2 1 319.493 3.004 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000572777951 435864264 /nfs/dbraw/zinc/86/42/64/435864264.db2.gz UMQHZOLDHMQYNA-OWYHZJEWSA-N 2 1 319.493 3.004 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC23CC3)cc1 ZINC000651934058 435872098 /nfs/dbraw/zinc/87/20/98/435872098.db2.gz VIPFOWGSBFWSBG-MANSERQUSA-N 2 1 312.457 3.093 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC23CC3)cc1 ZINC000651934058 435872103 /nfs/dbraw/zinc/87/21/03/435872103.db2.gz VIPFOWGSBFWSBG-MANSERQUSA-N 2 1 312.457 3.093 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000572855817 435875228 /nfs/dbraw/zinc/87/52/28/435875228.db2.gz NJGBDXUOLIYHQG-RYUDHWBXSA-N 2 1 305.422 3.309 20 0 DGADMP CCC1(CC)CCC([NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000651952828 435877194 /nfs/dbraw/zinc/87/71/94/435877194.db2.gz DZBACRPBGNQSSI-UHFFFAOYSA-N 2 1 309.542 3.353 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198314 435824086 /nfs/dbraw/zinc/82/40/86/435824086.db2.gz MBLBGRRNZVGRKE-ZWKOTPCHSA-N 2 1 304.478 3.474 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198314 435824089 /nfs/dbraw/zinc/82/40/89/435824089.db2.gz MBLBGRRNZVGRKE-ZWKOTPCHSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651983814 435885351 /nfs/dbraw/zinc/88/53/51/435885351.db2.gz KZTPKHRBAZWRJU-FUHIMQAGSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273722 435935700 /nfs/dbraw/zinc/93/57/00/435935700.db2.gz CIJIAFHAQUKCRS-HOCLYGCPSA-N 2 1 304.482 3.088 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000552335145 435897299 /nfs/dbraw/zinc/89/72/99/435897299.db2.gz KGUTZNXNWYAWDJ-RDJZCZTQSA-N 2 1 318.461 3.200 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000552335145 435897306 /nfs/dbraw/zinc/89/73/06/435897306.db2.gz KGUTZNXNWYAWDJ-RDJZCZTQSA-N 2 1 318.461 3.200 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cnn1-c1ccc(F)cc1 ZINC000665249023 435928355 /nfs/dbraw/zinc/92/83/55/435928355.db2.gz HZTDIMCVFIVRSV-CYBMUJFWSA-N 2 1 316.424 3.242 20 0 DGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000665249940 435929050 /nfs/dbraw/zinc/92/90/50/435929050.db2.gz BVYVKYGTAGQCLA-PWRODBHTSA-N 2 1 306.453 3.279 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CCCC1 ZINC000665247737 435929368 /nfs/dbraw/zinc/92/93/68/435929368.db2.gz IWUFHFANPILZGZ-QGZVFWFLSA-N 2 1 300.446 3.250 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000665255264 435931016 /nfs/dbraw/zinc/93/10/16/435931016.db2.gz NARJZRXLKFHVHQ-WTWWFLFCSA-N 2 1 302.462 3.165 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H]2CC)cc1 ZINC000665255537 435931269 /nfs/dbraw/zinc/93/12/69/435931269.db2.gz VTQJEINZBDOOGM-FCLVOEFKSA-N 2 1 302.462 3.309 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H](C)C2)cc1F ZINC000665258747 435933430 /nfs/dbraw/zinc/93/34/30/435933430.db2.gz KQHMMAFXNKQCMN-DYWXZXKOSA-N 2 1 306.425 3.058 20 0 DGADMP C1C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000665268888 435933974 /nfs/dbraw/zinc/93/39/74/435933974.db2.gz XJGSCCNMIBHSGA-FRYIKTPZSA-N 2 1 319.537 3.294 20 0 DGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278073 435935454 /nfs/dbraw/zinc/93/54/54/435935454.db2.gz UPIAXEFCJQFLMN-ZHEUNLNZSA-N 2 1 301.459 3.130 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(C(F)F)c2)C1 ZINC000652363490 435958994 /nfs/dbraw/zinc/95/89/94/435958994.db2.gz FYVQTGFXQWOYPI-BRWVUGGUSA-N 2 1 324.415 3.485 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)c1 ZINC000652361588 435959793 /nfs/dbraw/zinc/95/97/93/435959793.db2.gz KRANVGBMAOHJFQ-SXLOBPIMSA-N 2 1 316.489 3.473 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CO1 ZINC000647171874 435959867 /nfs/dbraw/zinc/95/98/67/435959867.db2.gz ZNZPEFDVYVGUGC-FRQCXROJSA-N 2 1 302.462 3.328 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000650703842 435994421 /nfs/dbraw/zinc/99/44/21/435994421.db2.gz UWQLVFSPSJBKGF-GJZGRUSLSA-N 2 1 306.425 3.046 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2CC(C)C)c1 ZINC000647179628 435962482 /nfs/dbraw/zinc/96/24/82/435962482.db2.gz HWXOWBIQYCMFQI-UHFFFAOYSA-N 2 1 314.477 3.281 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000650705747 435994761 /nfs/dbraw/zinc/99/47/61/435994761.db2.gz UJIRMNPUMIRAKU-OIISXLGYSA-N 2 1 308.853 3.058 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647248633 435989415 /nfs/dbraw/zinc/98/94/15/435989415.db2.gz NGDZBLFENKWKPA-QUCCMNQESA-N 2 1 310.441 3.130 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000665282416 435938535 /nfs/dbraw/zinc/93/85/35/435938535.db2.gz XVKNOENFPJWHOK-BHIYHBOVSA-N 2 1 303.494 3.003 20 0 DGADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665299694 435944048 /nfs/dbraw/zinc/94/40/48/435944048.db2.gz RIMHONWGBRTGRQ-AEGPPILISA-N 2 1 313.367 3.111 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000652350321 435956815 /nfs/dbraw/zinc/95/68/15/435956815.db2.gz SJMUEPHZXWEQFR-BRWVUGGUSA-N 2 1 324.415 3.343 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348136 435957518 /nfs/dbraw/zinc/95/75/18/435957518.db2.gz VLFSDYNFVHWAQO-OYUZRVEBSA-N 2 1 324.415 3.244 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OC(C)C ZINC000650711550 435997400 /nfs/dbraw/zinc/99/74/00/435997400.db2.gz WRJJCQULBQHYOL-NVXWUHKLSA-N 2 1 320.477 3.432 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]C1 ZINC000650710298 435997736 /nfs/dbraw/zinc/99/77/36/435997736.db2.gz LMVGOCYVMHOTJH-GOSISDBHSA-N 2 1 315.392 3.102 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000650709779 435997945 /nfs/dbraw/zinc/99/79/45/435997945.db2.gz QEMMSJCOTIXSKW-ALKREAHSSA-N 2 1 320.452 3.074 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)[C@@H]1CC[NH3+] ZINC000650712030 435997980 /nfs/dbraw/zinc/99/79/80/435997980.db2.gz NMCOCUVKSXTLJO-CZUORRHYSA-N 2 1 318.490 3.098 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711089 435998066 /nfs/dbraw/zinc/99/80/66/435998066.db2.gz IFFNGVXUDPCDIJ-CXAGYDPISA-N 2 1 306.498 3.204 20 0 DGADMP Fc1ccc(Oc2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000650710719 435999166 /nfs/dbraw/zinc/99/91/66/435999166.db2.gz XYLHENHMGGWHDZ-HNNXBMFYSA-N 2 1 315.392 3.245 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000650709255 435999473 /nfs/dbraw/zinc/99/94/73/435999473.db2.gz MZGVGFBPCYZTSY-YOEHRIQHSA-N 2 1 305.491 3.362 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000650709255 435999477 /nfs/dbraw/zinc/99/94/77/435999477.db2.gz MZGVGFBPCYZTSY-YOEHRIQHSA-N 2 1 305.491 3.362 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)[C@@H]1CC[NH3+] ZINC000650712093 436000235 /nfs/dbraw/zinc/00/02/35/436000235.db2.gz QKQLBPZBFTVICT-BXUZGUMPSA-N 2 1 307.438 3.385 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)[C@@H]1CC[NH3+] ZINC000650712093 436000240 /nfs/dbraw/zinc/00/02/40/436000240.db2.gz QKQLBPZBFTVICT-BXUZGUMPSA-N 2 1 307.438 3.385 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)[C@H]1CC[NH3+] ZINC000650712095 436000823 /nfs/dbraw/zinc/00/08/23/436000823.db2.gz QKQLBPZBFTVICT-RISCZKNCSA-N 2 1 307.438 3.385 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)[C@H]1CC[NH3+] ZINC000650712095 436000826 /nfs/dbraw/zinc/00/08/26/436000826.db2.gz QKQLBPZBFTVICT-RISCZKNCSA-N 2 1 307.438 3.385 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)c1 ZINC000650722421 436005998 /nfs/dbraw/zinc/00/59/98/436005998.db2.gz SLQPVGUZZJPQKO-GUDVDZBRSA-N 2 1 302.462 3.164 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723420 436009270 /nfs/dbraw/zinc/00/92/70/436009270.db2.gz NNFHLLPUCDXINA-QRVBRYPASA-N 2 1 302.462 3.164 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690829 436010857 /nfs/dbraw/zinc/01/08/57/436010857.db2.gz MXMWBBMGNDRTEK-SJORKVTESA-N 2 1 310.869 3.082 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690829 436010861 /nfs/dbraw/zinc/01/08/61/436010861.db2.gz MXMWBBMGNDRTEK-SJORKVTESA-N 2 1 310.869 3.082 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)c(F)c1 ZINC000650756235 436022519 /nfs/dbraw/zinc/02/25/19/436022519.db2.gz XDGYAXZKNNBAHJ-KRWDZBQOSA-N 2 1 316.424 3.419 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647344745 436025235 /nfs/dbraw/zinc/02/52/35/436025235.db2.gz YJXPMPIREZKMCI-AABGKKOBSA-N 2 1 316.489 3.127 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCSCC1 ZINC000647344257 436025825 /nfs/dbraw/zinc/02/58/25/436025825.db2.gz MSGNDVNKYZQSKQ-LZQZEXGQSA-N 2 1 318.530 3.453 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656782763 436043188 /nfs/dbraw/zinc/04/31/88/436043188.db2.gz JNKSCRXUFMEQRH-OAHLLOKOSA-N 2 1 307.507 3.478 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656783641 436043558 /nfs/dbraw/zinc/04/35/58/436043558.db2.gz SDFMUCAXKZLVEE-QGZVFWFLSA-N 2 1 320.452 3.436 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784391 436043574 /nfs/dbraw/zinc/04/35/74/436043574.db2.gz CZCAZTPKAWLEBE-OCTSTCLRSA-N 2 1 314.473 3.420 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656785221 436045199 /nfs/dbraw/zinc/04/51/99/436045199.db2.gz KSIVPSQVJQAREU-OAHLLOKOSA-N 2 1 307.507 3.478 20 0 DGADMP c1sc(C2CC2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785964 436045397 /nfs/dbraw/zinc/04/53/97/436045397.db2.gz OLWICYYULRKFMD-HNNXBMFYSA-N 2 1 305.491 3.232 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000650707603 435995700 /nfs/dbraw/zinc/99/57/00/435995700.db2.gz JEMWAHYWTARXFX-ICBNADEASA-N 2 1 308.510 3.421 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707802 435996134 /nfs/dbraw/zinc/99/61/34/435996134.db2.gz NKVRFXCJLYPFIW-GSEOLPGOSA-N 2 1 316.489 3.084 20 0 DGADMP CC(C)(C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707588 435996165 /nfs/dbraw/zinc/99/61/65/435996165.db2.gz JAHUFELOKNQWBC-YTQUADARSA-N 2 1 316.489 3.183 20 0 DGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708397 435996324 /nfs/dbraw/zinc/99/63/24/435996324.db2.gz ZCJJPBFRIHVBKC-TXPKVOOTSA-N 2 1 320.452 3.106 20 0 DGADMP CC(C)(C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707586 435996642 /nfs/dbraw/zinc/99/66/42/435996642.db2.gz JAHUFELOKNQWBC-UHOSZYNNSA-N 2 1 316.489 3.183 20 0 DGADMP Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480629 436059078 /nfs/dbraw/zinc/05/90/78/436059078.db2.gz VRQWOARQUUNREJ-PXNSSMCTSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480629 436059083 /nfs/dbraw/zinc/05/90/83/436059083.db2.gz VRQWOARQUUNREJ-PXNSSMCTSA-N 2 1 324.472 3.145 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2O1 ZINC000647482414 436062657 /nfs/dbraw/zinc/06/26/57/436062657.db2.gz DFBQXMIQKKCGCG-UHFFFAOYSA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2O1 ZINC000647482414 436062661 /nfs/dbraw/zinc/06/26/61/436062661.db2.gz DFBQXMIQKKCGCG-UHFFFAOYSA-N 2 1 300.446 3.117 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647498555 436064786 /nfs/dbraw/zinc/06/47/86/436064786.db2.gz JZMFDVSALCMRCJ-VQIMIIECSA-N 2 1 312.461 3.048 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000647498593 436065063 /nfs/dbraw/zinc/06/50/63/436065063.db2.gz KWFQAZQFRVTFQD-JSGCOSHPSA-N 2 1 316.367 3.187 20 0 DGADMP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647496563 436065373 /nfs/dbraw/zinc/06/53/73/436065373.db2.gz VMPZVPYHAAZYGF-BBRMVZONSA-N 2 1 324.428 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647496563 436065380 /nfs/dbraw/zinc/06/53/80/436065380.db2.gz VMPZVPYHAAZYGF-BBRMVZONSA-N 2 1 324.428 3.002 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498601 436065439 /nfs/dbraw/zinc/06/54/39/436065439.db2.gz KYEMBRRJTYOMDG-LRDDRELGSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498601 436065444 /nfs/dbraw/zinc/06/54/44/436065444.db2.gz KYEMBRRJTYOMDG-LRDDRELGSA-N 2 1 303.837 3.447 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498125 436066428 /nfs/dbraw/zinc/06/64/28/436066428.db2.gz AVXWNNRCBPAITQ-HZPDHXFCSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498125 436066433 /nfs/dbraw/zinc/06/64/33/436066433.db2.gz AVXWNNRCBPAITQ-HZPDHXFCSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000647498594 436066739 /nfs/dbraw/zinc/06/67/39/436066739.db2.gz KWFQAZQFRVTFQD-OCCSQVGLSA-N 2 1 316.367 3.187 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543189 436076993 /nfs/dbraw/zinc/07/69/93/436076993.db2.gz IZFNYOXYNWMOOX-CVEARBPZSA-N 2 1 324.415 3.500 20 0 DGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543486 436077172 /nfs/dbraw/zinc/07/71/72/436077172.db2.gz OHYUROQNEPOTJY-QZTJIDSGSA-N 2 1 309.457 3.446 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543128 436077267 /nfs/dbraw/zinc/07/72/67/436077267.db2.gz HWKKQPFEKSYPHF-ZWKOTPCHSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543128 436077268 /nfs/dbraw/zinc/07/72/68/436077268.db2.gz HWKKQPFEKSYPHF-ZWKOTPCHSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543128 436077269 /nfs/dbraw/zinc/07/72/69/436077269.db2.gz HWKKQPFEKSYPHF-ZWKOTPCHSA-N 2 1 324.472 3.288 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC000647542911 436078735 /nfs/dbraw/zinc/07/87/35/436078735.db2.gz DQKYUMYTTXURFP-HUUCEWRRSA-N 2 1 306.425 3.046 20 0 DGADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543087 436078818 /nfs/dbraw/zinc/07/88/18/436078818.db2.gz HMLMCIPNIZIVIY-HUUCEWRRSA-N 2 1 305.491 3.232 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543433 436079410 /nfs/dbraw/zinc/07/94/10/436079410.db2.gz NIBULINFVSVODJ-MOPGFXCFSA-N 2 1 301.478 3.034 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544212 436081119 /nfs/dbraw/zinc/08/11/19/436081119.db2.gz YFKIOFCLCUSUPG-SJORKVTESA-N 2 1 302.462 3.215 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544209 436081202 /nfs/dbraw/zinc/08/12/02/436081202.db2.gz YFKIOFCLCUSUPG-IAGOWNOFSA-N 2 1 302.462 3.215 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647836750 436131781 /nfs/dbraw/zinc/13/17/81/436131781.db2.gz WCDZDRBJTVZEBY-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP c1cc2c(cc[nH+]c2NC[C@@H](c2ccccc2)[NH+]2CCOCC2)[nH]1 ZINC000647854407 436134341 /nfs/dbraw/zinc/13/43/41/436134341.db2.gz PMJVORGIYNXCLM-SFHVURJKSA-N 2 1 322.412 3.048 20 0 DGADMP C[C@@H](C[NH2+]Cc1cccc(F)c1OC(F)F)C[NH+]1CCCC1 ZINC000657318624 436134398 /nfs/dbraw/zinc/13/43/98/436134398.db2.gz LLXMDONABICVGK-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@@H](CNCc2cc(F)ccc2OC(F)F)C1 ZINC000657324494 436137354 /nfs/dbraw/zinc/13/73/54/436137354.db2.gz CCESUHKPRVOGSI-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657324494 436137359 /nfs/dbraw/zinc/13/73/59/436137359.db2.gz CCESUHKPRVOGSI-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657324494 436137364 /nfs/dbraw/zinc/13/73/64/436137364.db2.gz CCESUHKPRVOGSI-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(OC(F)F)cc1 ZINC000647871162 436138921 /nfs/dbraw/zinc/13/89/21/436138921.db2.gz SHEXRSGYZHDVSB-UHFFFAOYSA-N 2 1 312.404 3.500 20 0 DGADMP c1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000647881643 436140408 /nfs/dbraw/zinc/14/04/08/436140408.db2.gz ZDMHYAWZDORLIA-FQEVSTJZSA-N 2 1 316.489 3.447 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1F ZINC000661658937 436141192 /nfs/dbraw/zinc/14/11/92/436141192.db2.gz HKYXBBSPFVGBCQ-KRWDZBQOSA-N 2 1 317.408 3.338 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1F ZINC000661658937 436141198 /nfs/dbraw/zinc/14/11/98/436141198.db2.gz HKYXBBSPFVGBCQ-KRWDZBQOSA-N 2 1 317.408 3.338 20 0 DGADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666082175 436142181 /nfs/dbraw/zinc/14/21/81/436142181.db2.gz GCLUKHYVYMSHIE-ZFWWWQNUSA-N 2 1 304.865 3.271 20 0 DGADMP OCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000647884862 436142583 /nfs/dbraw/zinc/14/25/83/436142583.db2.gz AJCKNRMDGFLYIC-HXUWFJFHSA-N 2 1 316.489 3.138 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657334781 436142610 /nfs/dbraw/zinc/14/26/10/436142610.db2.gz HGUIWSVDIFKPNP-CEXWTWQISA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[C@@H](CO)[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647886102 436143605 /nfs/dbraw/zinc/14/36/05/436143605.db2.gz SMDXLBUGSZVCTH-HXUWFJFHSA-N 2 1 318.505 3.285 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899322 436145194 /nfs/dbraw/zinc/14/51/94/436145194.db2.gz GSQMGQCNKDIGQU-HKUYNNGSSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647906599 436145324 /nfs/dbraw/zinc/14/53/24/436145324.db2.gz OHRKBFAUECUJOA-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657295363 436118828 /nfs/dbraw/zinc/11/88/28/436118828.db2.gz OJSMNMRXTDFXIP-UHFFFAOYSA-N 2 1 311.307 3.018 20 0 DGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978631 436167518 /nfs/dbraw/zinc/16/75/18/436167518.db2.gz WDLNATQVDKCYMU-SZMVWBNQSA-N 2 1 302.462 3.468 20 0 DGADMP c1ccc(COCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978731 436167370 /nfs/dbraw/zinc/16/73/70/436167370.db2.gz XJJHLCRYYTWIDT-UXHICEINSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@]12COC[C@H]1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000661706686 436162653 /nfs/dbraw/zinc/16/26/53/436162653.db2.gz HJTDRGVALGVPRZ-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647989947 436168600 /nfs/dbraw/zinc/16/86/00/436168600.db2.gz HCZAYPFVYGTQSL-LSDHHAIUSA-N 2 1 308.853 3.040 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000647989551 436169557 /nfs/dbraw/zinc/16/95/57/436169557.db2.gz CGDSWTLLPBSWTN-UHFFFAOYSA-N 2 1 312.461 3.288 20 0 DGADMP CCC[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071975 436203609 /nfs/dbraw/zinc/20/36/09/436203609.db2.gz DXTSMCHTLSVXGL-LJQANCHMSA-N 2 1 316.489 3.367 20 0 DGADMP CCc1cccc(Cl)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072045 436204091 /nfs/dbraw/zinc/20/40/91/436204091.db2.gz JDTSXIPLKDBIQD-UHFFFAOYSA-N 2 1 322.880 3.199 20 0 DGADMP CCc1cccc(Cl)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072045 436204093 /nfs/dbraw/zinc/20/40/93/436204093.db2.gz JDTSXIPLKDBIQD-UHFFFAOYSA-N 2 1 322.880 3.199 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2noc3ccccc32)C[C@@H]1C ZINC000653564087 436206465 /nfs/dbraw/zinc/20/64/65/436206465.db2.gz OWYYYAJAGCZSDZ-LSDHHAIUSA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2noc3ccccc32)C[C@@H]1C ZINC000653564087 436206468 /nfs/dbraw/zinc/20/64/68/436206468.db2.gz OWYYYAJAGCZSDZ-LSDHHAIUSA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2noc3ccccc32)C[C@@H]1C ZINC000653564087 436206472 /nfs/dbraw/zinc/20/64/72/436206472.db2.gz OWYYYAJAGCZSDZ-LSDHHAIUSA-N 2 1 301.434 3.175 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661846524 436208142 /nfs/dbraw/zinc/20/81/42/436208142.db2.gz VBQXGUZVHMSLJR-CVEARBPZSA-N 2 1 305.466 3.069 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661846525 436208178 /nfs/dbraw/zinc/20/81/78/436208178.db2.gz VBQXGUZVHMSLJR-HOTGVXAUSA-N 2 1 305.466 3.069 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661846526 436209102 /nfs/dbraw/zinc/20/91/02/436209102.db2.gz VBQXGUZVHMSLJR-HZPDHXFCSA-N 2 1 305.466 3.069 20 0 DGADMP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000653590458 436218715 /nfs/dbraw/zinc/21/87/15/436218715.db2.gz CHMYLYGFAAIOML-ZFWWWQNUSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000653590458 436218721 /nfs/dbraw/zinc/21/87/21/436218721.db2.gz CHMYLYGFAAIOML-ZFWWWQNUSA-N 2 1 323.400 3.021 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602305 436221742 /nfs/dbraw/zinc/22/17/42/436221742.db2.gz YISSYAAYTUQUOQ-IRXDYDNUSA-N 2 1 310.457 3.205 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602305 436221744 /nfs/dbraw/zinc/22/17/44/436221744.db2.gz YISSYAAYTUQUOQ-IRXDYDNUSA-N 2 1 310.457 3.205 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]1(C)CO ZINC000662144959 436284902 /nfs/dbraw/zinc/28/49/02/436284902.db2.gz VALKIFLWUNZNPN-FXAWDEMLSA-N 2 1 316.489 3.123 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCC(O)CC1 ZINC000657740313 436291429 /nfs/dbraw/zinc/29/14/29/436291429.db2.gz KYLAGTLEQOSJEK-UHFFFAOYSA-N 2 1 318.505 3.285 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000653701829 436247119 /nfs/dbraw/zinc/24/71/19/436247119.db2.gz FNSLACTYIMIYER-OAHLLOKOSA-N 2 1 303.837 3.496 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000653701829 436247122 /nfs/dbraw/zinc/24/71/22/436247122.db2.gz FNSLACTYIMIYER-OAHLLOKOSA-N 2 1 303.837 3.496 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000662018461 436248467 /nfs/dbraw/zinc/24/84/67/436248467.db2.gz BTABVHBXHAJEPD-HKUYNNGSSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000662018461 436248471 /nfs/dbraw/zinc/24/84/71/436248471.db2.gz BTABVHBXHAJEPD-HKUYNNGSSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000662018461 436248476 /nfs/dbraw/zinc/24/84/76/436248476.db2.gz BTABVHBXHAJEPD-HKUYNNGSSA-N 2 1 301.478 3.072 20 0 DGADMP FC(F)(F)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)OC1CCCC1 ZINC000657588184 436253262 /nfs/dbraw/zinc/25/32/62/436253262.db2.gz PCBGIGAWPRVOLJ-YDHLFZDLSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)OC1CCCC1 ZINC000657588184 436253265 /nfs/dbraw/zinc/25/32/65/436253265.db2.gz PCBGIGAWPRVOLJ-YDHLFZDLSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC1CCCC1 ZINC000657588184 436253269 /nfs/dbraw/zinc/25/32/69/436253269.db2.gz PCBGIGAWPRVOLJ-YDHLFZDLSA-N 2 1 320.399 3.093 20 0 DGADMP Cc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1C ZINC000657594258 436257920 /nfs/dbraw/zinc/25/79/20/436257920.db2.gz HURDZKZXESAWNZ-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653910162 436297533 /nfs/dbraw/zinc/29/75/33/436297533.db2.gz UTADVCUBYAYCFV-ROUUACIJSA-N 2 1 313.445 3.422 20 0 DGADMP Cn1cccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771248 436299954 /nfs/dbraw/zinc/29/99/54/436299954.db2.gz GHTQGAQTEJVSGB-IBGZPJMESA-N 2 1 323.484 3.417 20 0 DGADMP Cn1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657773888 436300560 /nfs/dbraw/zinc/30/05/60/436300560.db2.gz VJKNDWDUQLIRGR-FQEVSTJZSA-N 2 1 323.484 3.417 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3cccnc3)C3(CCC3)C2)cc1 ZINC000657772068 436301101 /nfs/dbraw/zinc/30/11/01/436301101.db2.gz RALVWHOZQTUPAM-FQEVSTJZSA-N 2 1 321.468 3.474 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666909262 436304669 /nfs/dbraw/zinc/30/46/69/436304669.db2.gz GIPYPXORUSOBGI-KRWDZBQOSA-N 2 1 302.393 3.232 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000657786600 436305063 /nfs/dbraw/zinc/30/50/63/436305063.db2.gz OCVLSLZMTIYOBD-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657786600 436305067 /nfs/dbraw/zinc/30/50/67/436305067.db2.gz OCVLSLZMTIYOBD-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc2c(CC[N@@H+](C3CC3)C3CC[NH2+]CC3)nsc2c1 ZINC000662233503 436305913 /nfs/dbraw/zinc/30/59/13/436305913.db2.gz FNGWQRCRUDRGSE-UHFFFAOYSA-N 2 1 301.459 3.055 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662246980 436310702 /nfs/dbraw/zinc/31/07/02/436310702.db2.gz WPOMNDDJTBDKQQ-UHFFFAOYSA-N 2 1 316.367 3.249 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662256909 436313399 /nfs/dbraw/zinc/31/33/99/436313399.db2.gz ZGBDGWSFLRZFNK-OAQYLSRUSA-N 2 1 322.452 3.214 20 0 DGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252197 436313700 /nfs/dbraw/zinc/31/37/00/436313700.db2.gz LXQPAMOAAKAHOG-ROUUACIJSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253512 436314347 /nfs/dbraw/zinc/31/43/47/436314347.db2.gz ZOFNUHWHRHTOTN-HKUYNNGSSA-N 2 1 312.457 3.049 20 0 DGADMP c1ccc2cc(C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C3CC3)ccc2c1 ZINC000662250736 436314578 /nfs/dbraw/zinc/31/45/78/436314578.db2.gz NBUAZMXJSTVULN-HXUWFJFHSA-N 2 1 322.452 3.325 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253226 436314859 /nfs/dbraw/zinc/31/48/59/436314859.db2.gz UKBZMSNXYUQTKD-GUYCJALGSA-N 2 1 320.864 3.386 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256906 436315168 /nfs/dbraw/zinc/31/51/68/436315168.db2.gz ZFXSLDGIPGELMM-ROUUACIJSA-N 2 1 300.446 3.043 20 0 DGADMP CC[N@@H+](CCc1nsc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000662267576 436316794 /nfs/dbraw/zinc/31/67/94/436316794.db2.gz VPTUEBXMSKPZBN-AWEZNQCLSA-N 2 1 303.475 3.303 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1oc2ccccc2c1Br ZINC000662265199 436316979 /nfs/dbraw/zinc/31/69/79/436316979.db2.gz NXLUVZTXCDWMAV-QWRGUYRKSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1oc2ccccc2c1Br ZINC000662265199 436316982 /nfs/dbraw/zinc/31/69/82/436316982.db2.gz NXLUVZTXCDWMAV-QWRGUYRKSA-N 2 1 323.234 3.364 20 0 DGADMP FCC1(CF)CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000657826171 436319162 /nfs/dbraw/zinc/31/91/62/436319162.db2.gz FNBTUNZGVPBSHS-UHFFFAOYSA-N 2 1 308.416 3.112 20 0 DGADMP FCC1(CF)CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000657826171 436319167 /nfs/dbraw/zinc/31/91/67/436319167.db2.gz FNBTUNZGVPBSHS-UHFFFAOYSA-N 2 1 308.416 3.112 20 0 DGADMP FCC1(CF)CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657836056 436321270 /nfs/dbraw/zinc/32/12/70/436321270.db2.gz WYUYVLLNKBFCJG-UHFFFAOYSA-N 2 1 322.443 3.371 20 0 DGADMP Brc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000666998305 436321515 /nfs/dbraw/zinc/32/15/15/436321515.db2.gz NADJDQBRGIGQNL-LLVKDONJSA-N 2 1 315.280 3.275 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000662273907 436321730 /nfs/dbraw/zinc/32/17/30/436321730.db2.gz QPWNXSOSOGTKOB-ZIAGYGMSSA-N 2 1 308.853 3.170 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657838949 436322822 /nfs/dbraw/zinc/32/28/22/436322822.db2.gz HYHRJZZACIKMDK-BBWFWOEESA-N 2 1 304.482 3.066 20 0 DGADMP C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)CC1CCOCC1 ZINC000662292724 436324162 /nfs/dbraw/zinc/32/41/62/436324162.db2.gz HZKDPNOHEDMUGG-LJQANCHMSA-N 2 1 308.510 3.295 20 0 DGADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662293782 436326406 /nfs/dbraw/zinc/32/64/06/436326406.db2.gz TTYKFANLVYOWTD-HIFRSBDPSA-N 2 1 323.506 3.062 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)[C@@H]1CCC[NH3+] ZINC000662313712 436329183 /nfs/dbraw/zinc/32/91/83/436329183.db2.gz XVGGIBFOKNCANM-CZUORRHYSA-N 2 1 323.868 3.118 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000662317423 436329454 /nfs/dbraw/zinc/32/94/54/436329454.db2.gz OYSURNUWAKLPBT-HXUWFJFHSA-N 2 1 312.457 3.382 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662317346 436329530 /nfs/dbraw/zinc/32/95/30/436329530.db2.gz QHRFXEBHXQBFDV-UMVBOHGHSA-N 2 1 311.495 3.190 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662321396 436331019 /nfs/dbraw/zinc/33/10/19/436331019.db2.gz HSWYQIQYXRAEAK-LJQANCHMSA-N 2 1 320.477 3.016 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662321396 436331022 /nfs/dbraw/zinc/33/10/22/436331022.db2.gz HSWYQIQYXRAEAK-LJQANCHMSA-N 2 1 320.477 3.016 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CCO1 ZINC000662326298 436331042 /nfs/dbraw/zinc/33/10/42/436331042.db2.gz QTRLBNVDZSHKGK-GOSISDBHSA-N 2 1 302.462 3.107 20 0 DGADMP COC1([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657899199 436337126 /nfs/dbraw/zinc/33/71/26/436337126.db2.gz IGBPKQAEGUTHQU-IRXDYDNUSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CC[N@H+]3C(C)(C)C)CC2)C1 ZINC000658058825 436360940 /nfs/dbraw/zinc/36/09/40/436360940.db2.gz UUFVWXPHYOIEOU-QRQLOZEOSA-N 2 1 321.553 3.492 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)C1 ZINC000658137922 436385074 /nfs/dbraw/zinc/38/50/74/436385074.db2.gz MKKYWUJWBFSXTM-RTBURBONSA-N 2 1 314.473 3.066 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658134791 436385106 /nfs/dbraw/zinc/38/51/06/436385106.db2.gz BPVXQJILSCJEGX-PMACEKPBSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cscn1 ZINC000658152646 436386696 /nfs/dbraw/zinc/38/66/96/436386696.db2.gz UTLAZPWIFXVGOP-ZIAGYGMSSA-N 2 1 319.474 3.495 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658140633 436386895 /nfs/dbraw/zinc/38/68/95/436386895.db2.gz VRXSPJLGCGZOAC-GIYDNNGJSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000658144726 436387727 /nfs/dbraw/zinc/38/77/27/436387727.db2.gz NQGYDUUQPBZTEX-MAUKXSAKSA-N 2 1 314.429 3.005 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658161037 436391083 /nfs/dbraw/zinc/39/10/83/436391083.db2.gz IFZJKQNYODKQND-NXWXRZEISA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658218566 436402409 /nfs/dbraw/zinc/40/24/09/436402409.db2.gz JDBKXIPWDIKCKJ-PIKOESSRSA-N 2 1 316.489 3.444 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658219055 436403920 /nfs/dbraw/zinc/40/39/20/436403920.db2.gz HICDYSCMXFXACW-HRCADAONSA-N 2 1 318.452 3.148 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658231058 436407355 /nfs/dbraw/zinc/40/73/55/436407355.db2.gz SBQFQIOMOHJWIL-QZTJIDSGSA-N 2 1 313.489 3.326 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658231058 436407358 /nfs/dbraw/zinc/40/73/58/436407358.db2.gz SBQFQIOMOHJWIL-QZTJIDSGSA-N 2 1 313.489 3.326 20 0 DGADMP COC1CC(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658055971 436359268 /nfs/dbraw/zinc/35/92/68/436359268.db2.gz NVNFGDMJADHNRG-VHBXLISGSA-N 2 1 316.489 3.302 20 0 DGADMP COC1CC(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658055967 436359949 /nfs/dbraw/zinc/35/99/49/436359949.db2.gz NVNFGDMJADHNRG-OTBHMBEGSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658361514 436439900 /nfs/dbraw/zinc/43/99/00/436439900.db2.gz NMMVASHTKJHMKS-UWJYYQICSA-N 2 1 324.468 3.363 20 0 DGADMP c1cnn(-c2cccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2)c1 ZINC000663345326 436442786 /nfs/dbraw/zinc/44/27/86/436442786.db2.gz IKEBMOJSVKABNB-LJQANCHMSA-N 2 1 324.472 3.084 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1F ZINC000663344085 436443676 /nfs/dbraw/zinc/44/36/76/436443676.db2.gz NMCGQHPODHEPHO-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1F ZINC000663344085 436443678 /nfs/dbraw/zinc/44/36/78/436443678.db2.gz NMCGQHPODHEPHO-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347781 436444920 /nfs/dbraw/zinc/44/49/20/436444920.db2.gz VGLUWKRQDCHIGH-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347781 436444924 /nfs/dbraw/zinc/44/49/24/436444924.db2.gz VGLUWKRQDCHIGH-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP COCC1([N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000663452365 436461392 /nfs/dbraw/zinc/46/13/92/436461392.db2.gz FNKLSZGLELXHRG-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000663463755 436463075 /nfs/dbraw/zinc/46/30/75/436463075.db2.gz BGZNTSFGAIAPSY-ZBFHGGJFSA-N 2 1 318.461 3.173 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000663463755 436463078 /nfs/dbraw/zinc/46/30/78/436463078.db2.gz BGZNTSFGAIAPSY-ZBFHGGJFSA-N 2 1 318.461 3.173 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663464972 436464051 /nfs/dbraw/zinc/46/40/51/436464051.db2.gz HPOGHRVFIAEMRT-PKOBYXMFSA-N 2 1 313.489 3.041 20 0 DGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471836 436466436 /nfs/dbraw/zinc/46/64/36/436466436.db2.gz YQRFQDDCZGFVJZ-NVXWUHKLSA-N 2 1 302.462 3.468 20 0 DGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471836 436466441 /nfs/dbraw/zinc/46/64/41/436466441.db2.gz YQRFQDDCZGFVJZ-NVXWUHKLSA-N 2 1 302.462 3.468 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)CC1 ZINC000658287890 436419891 /nfs/dbraw/zinc/41/98/91/436419891.db2.gz KXCYTSFZBDIZQR-OALUTQOASA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H]1CSCC[NH+]1CC1(C[N@H+]2CCSC[C@@H]2C)CCC1 ZINC000659943299 436566379 /nfs/dbraw/zinc/56/63/79/436566379.db2.gz ANWMFWFNCGCXLZ-GJZGRUSLSA-N 2 1 314.564 3.031 20 0 DGADMP C[C@H]1CSCC[NH+]1CC1(C[N@@H+]2CCSC[C@@H]2C)CCC1 ZINC000659943299 436566382 /nfs/dbraw/zinc/56/63/82/436566382.db2.gz ANWMFWFNCGCXLZ-GJZGRUSLSA-N 2 1 314.564 3.031 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065577 436584438 /nfs/dbraw/zinc/58/44/38/436584438.db2.gz ZDZOWWJFSPRGAM-YHDCXSKOSA-N 2 1 321.553 3.302 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065577 436584442 /nfs/dbraw/zinc/58/44/42/436584442.db2.gz ZDZOWWJFSPRGAM-YHDCXSKOSA-N 2 1 321.553 3.302 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065577 436584445 /nfs/dbraw/zinc/58/44/45/436584445.db2.gz ZDZOWWJFSPRGAM-YHDCXSKOSA-N 2 1 321.553 3.302 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1Cl ZINC000660128919 436593958 /nfs/dbraw/zinc/59/39/58/436593958.db2.gz OFBYBAYZPKMTLT-ZDUSSCGKSA-N 2 1 305.809 3.072 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COC(C)(C)C1 ZINC000660166797 436598869 /nfs/dbraw/zinc/59/88/69/436598869.db2.gz UYACMEFJGLXPLU-SFHVURJKSA-N 2 1 317.477 3.187 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000660224130 436608238 /nfs/dbraw/zinc/60/82/38/436608238.db2.gz IWIDPQZOBGATQT-VQIMIIECSA-N 2 1 322.468 3.096 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000660224130 436608239 /nfs/dbraw/zinc/60/82/39/436608239.db2.gz IWIDPQZOBGATQT-VQIMIIECSA-N 2 1 322.468 3.096 20 0 DGADMP C[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000660256635 436615307 /nfs/dbraw/zinc/61/53/07/436615307.db2.gz MNVFQPUTKRCQDR-RDGPPVDQSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256635 436615309 /nfs/dbraw/zinc/61/53/09/436615309.db2.gz MNVFQPUTKRCQDR-RDGPPVDQSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256635 436615310 /nfs/dbraw/zinc/61/53/10/436615310.db2.gz MNVFQPUTKRCQDR-RDGPPVDQSA-N 2 1 321.553 3.207 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCC1 ZINC000660305303 436620947 /nfs/dbraw/zinc/62/09/47/436620947.db2.gz KCUWGXLQKKDRML-PWIZWCRZSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000660304491 436621125 /nfs/dbraw/zinc/62/11/25/436621125.db2.gz FFLFGVGEQBLIAC-OXJNMPFZSA-N 2 1 309.457 3.269 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179729512 312815168 /nfs/dbraw/zinc/81/51/68/312815168.db2.gz BCNWUWKBZOUZKZ-SFHVURJKSA-N 2 1 301.434 3.075 20 0 DGADMP COCCC1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000530206639 313338997 /nfs/dbraw/zinc/33/89/97/313338997.db2.gz BAIJKAKDCYXCRL-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(-c2ccncc2)c1 ZINC000530460458 313372545 /nfs/dbraw/zinc/37/25/45/313372545.db2.gz VYZANMIZXQAXOE-HNNXBMFYSA-N 2 1 306.413 3.375 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000530714471 313399106 /nfs/dbraw/zinc/39/91/06/313399106.db2.gz YKTQQOFSHVWNHT-SJLPKXTDSA-N 2 1 314.477 3.325 20 0 DGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCC1 ZINC000531677671 313479201 /nfs/dbraw/zinc/47/92/01/313479201.db2.gz KALKYWASUSEGKR-DOTOQJQBSA-N 2 1 321.534 3.205 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000535008049 313690173 /nfs/dbraw/zinc/69/01/73/313690173.db2.gz YETMTWYFEYTESZ-AWEZNQCLSA-N 2 1 324.428 3.174 20 0 DGADMP CCC[C@@H](CC)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000537295570 313806586 /nfs/dbraw/zinc/80/65/86/313806586.db2.gz OGONILARGUDTKG-HZPDHXFCSA-N 2 1 309.523 3.205 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000541221324 314000918 /nfs/dbraw/zinc/00/09/18/314000918.db2.gz DMIHUDMUSLHPHD-RDJZCZTQSA-N 2 1 310.507 3.112 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000541566221 314023495 /nfs/dbraw/zinc/02/34/95/314023495.db2.gz PEJFBEVMNYYABF-PIKOESSRSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000543449187 314135473 /nfs/dbraw/zinc/13/54/73/314135473.db2.gz FTPRXMJMIHZIPS-FQEVSTJZSA-N 2 1 318.505 3.032 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867191 314271338 /nfs/dbraw/zinc/27/13/38/314271338.db2.gz NRSXLAURXNIYGJ-JXFKEZNVSA-N 2 1 316.489 3.452 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C2CCCCC2)cc1 ZINC000545867191 314271339 /nfs/dbraw/zinc/27/13/39/314271339.db2.gz NRSXLAURXNIYGJ-JXFKEZNVSA-N 2 1 316.489 3.452 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000546224769 314297242 /nfs/dbraw/zinc/29/72/42/314297242.db2.gz NBPBFWYMHCYRIP-HNNXBMFYSA-N 2 1 320.477 3.476 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000547016356 314340519 /nfs/dbraw/zinc/34/05/19/314340519.db2.gz PPIKNZGAOIQJII-OAHLLOKOSA-N 2 1 322.468 3.429 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000547016356 314340523 /nfs/dbraw/zinc/34/05/23/314340523.db2.gz PPIKNZGAOIQJII-OAHLLOKOSA-N 2 1 322.468 3.429 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381965 315016063 /nfs/dbraw/zinc/01/60/63/315016063.db2.gz XXUBANJIAODPQO-WOJBJXKFSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381965 315016067 /nfs/dbraw/zinc/01/60/67/315016067.db2.gz XXUBANJIAODPQO-WOJBJXKFSA-N 2 1 316.489 3.302 20 0 DGADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000562959569 315065396 /nfs/dbraw/zinc/06/53/96/315065396.db2.gz YOSAVTPWHIBUNE-UXHICEINSA-N 2 1 318.424 3.322 20 0 DGADMP Cn1cccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120711 315080278 /nfs/dbraw/zinc/08/02/78/315080278.db2.gz FEZPDSWLOYHACA-SFHVURJKSA-N 2 1 309.457 3.312 20 0 DGADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120711 315080280 /nfs/dbraw/zinc/08/02/80/315080280.db2.gz FEZPDSWLOYHACA-SFHVURJKSA-N 2 1 309.457 3.312 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000563425698 315114049 /nfs/dbraw/zinc/11/40/49/315114049.db2.gz QETDFFULANIGGD-NEWSRXKRSA-N 2 1 323.440 3.226 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(CNCc2cnc(C)n2C)c1 ZINC000563438467 315115912 /nfs/dbraw/zinc/11/59/12/315115912.db2.gz DLHSHWWBXRODMI-ZDUSSCGKSA-N 2 1 314.433 3.003 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000564129794 315158758 /nfs/dbraw/zinc/15/87/58/315158758.db2.gz SYTLCBIQYZIRIM-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP CCC[N@@H+]1CC[C@@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000565081200 315228004 /nfs/dbraw/zinc/22/80/04/315228004.db2.gz SIVCPEWVZPQJAL-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP CCC[N@H+]1CC[C@@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000565081200 315228008 /nfs/dbraw/zinc/22/80/08/315228008.db2.gz SIVCPEWVZPQJAL-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000565137196 315233636 /nfs/dbraw/zinc/23/36/36/315233636.db2.gz XEECCDHRQFEPDU-GSEOLPGOSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccccc1OCCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565167255 315236861 /nfs/dbraw/zinc/23/68/61/315236861.db2.gz XGIYUDZGNHYQSD-UHFFFAOYSA-N 2 1 301.434 3.062 20 0 DGADMP Cc1ccccc1OCCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000565167255 315236862 /nfs/dbraw/zinc/23/68/62/315236862.db2.gz XGIYUDZGNHYQSD-UHFFFAOYSA-N 2 1 301.434 3.062 20 0 DGADMP CC1=CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000565553236 315270591 /nfs/dbraw/zinc/27/05/91/315270591.db2.gz CPENVGIBPPMWRV-IRXDYDNUSA-N 2 1 319.518 3.125 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000565902652 315296345 /nfs/dbraw/zinc/29/63/45/315296345.db2.gz ADKAFDWZQYSIJL-SMDDNHRTSA-N 2 1 311.267 3.330 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000566170924 315319749 /nfs/dbraw/zinc/31/97/49/315319749.db2.gz WCJOXJANHBYVQQ-AEFFLSMTSA-N 3 1 301.478 3.175 20 0 DGADMP C[C@@H]([N@H+](Cc1ccccc1)C[C@@H](O)CN(C)C1CC1)C(C)(C)C ZINC000566648000 315364386 /nfs/dbraw/zinc/36/43/86/315364386.db2.gz ZBCYODZDIXVTNN-APWZRJJASA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648000 315364388 /nfs/dbraw/zinc/36/43/88/315364388.db2.gz ZBCYODZDIXVTNN-APWZRJJASA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648000 315364391 /nfs/dbraw/zinc/36/43/91/315364391.db2.gz ZBCYODZDIXVTNN-APWZRJJASA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000566648000 315364394 /nfs/dbraw/zinc/36/43/94/315364394.db2.gz ZBCYODZDIXVTNN-APWZRJJASA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000566648000 315364397 /nfs/dbraw/zinc/36/43/97/315364397.db2.gz ZBCYODZDIXVTNN-APWZRJJASA-N 2 1 318.505 3.378 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000566812824 315376042 /nfs/dbraw/zinc/37/60/42/315376042.db2.gz SVBDXSZUYFKITG-ZFOVBUMHSA-N 2 1 302.462 3.168 20 0 DGADMP C[NH+]1CCC(CCO)(NCc2ccc(-c3ccccc3)cc2)CC1 ZINC000566983362 315388562 /nfs/dbraw/zinc/38/85/62/315388562.db2.gz DVJDCILVODKHJX-UHFFFAOYSA-N 2 1 324.468 3.290 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000566983362 315388565 /nfs/dbraw/zinc/38/85/65/315388565.db2.gz DVJDCILVODKHJX-UHFFFAOYSA-N 2 1 324.468 3.290 20 0 DGADMP C[N@H+]1CCC[C@]2(CCN(CCc3c(F)cccc3Cl)C2)C1 ZINC000567029659 315391101 /nfs/dbraw/zinc/39/11/01/315391101.db2.gz GNAJPLLQGCQQFA-KRWDZBQOSA-N 2 1 310.844 3.439 20 0 DGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)ccc1OC ZINC000573980416 315920108 /nfs/dbraw/zinc/92/01/08/315920108.db2.gz KFOZYXWGHTZVSZ-HNNXBMFYSA-N 2 1 307.825 3.366 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000576308676 316117082 /nfs/dbraw/zinc/11/70/82/316117082.db2.gz OZNRBEDFKMKNGZ-CYBMUJFWSA-N 2 1 319.449 3.381 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000576308676 316117084 /nfs/dbraw/zinc/11/70/84/316117084.db2.gz OZNRBEDFKMKNGZ-CYBMUJFWSA-N 2 1 319.449 3.381 20 0 DGADMP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000576695388 316157439 /nfs/dbraw/zinc/15/74/39/316157439.db2.gz NIWQLJODVHDOQU-QYZOEREBSA-N 2 1 302.462 3.011 20 0 DGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000576842103 316174141 /nfs/dbraw/zinc/17/41/41/316174141.db2.gz XZENAFRATZGQCD-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000577739744 316266441 /nfs/dbraw/zinc/26/64/41/316266441.db2.gz IWGCOUIHAVVXJT-STQMWFEESA-N 2 1 314.376 3.046 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cn(C)nc1C(C)(C)C ZINC000180439705 323229363 /nfs/dbraw/zinc/22/93/63/323229363.db2.gz XXZQQPCWYWBKKV-MRXNPFEDSA-N 2 1 306.498 3.024 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@@H+]1C ZINC000180892577 323240510 /nfs/dbraw/zinc/24/05/10/323240510.db2.gz QGXSRUHYMUQITL-NVXWUHKLSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@H+]1C ZINC000180892577 323240513 /nfs/dbraw/zinc/24/05/13/323240513.db2.gz QGXSRUHYMUQITL-NVXWUHKLSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000181557539 323259362 /nfs/dbraw/zinc/25/93/62/323259362.db2.gz GYSOSMCXQQGQPM-TWMKSMIVSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000181557539 323259366 /nfs/dbraw/zinc/25/93/66/323259366.db2.gz GYSOSMCXQQGQPM-TWMKSMIVSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000181834865 323271501 /nfs/dbraw/zinc/27/15/01/323271501.db2.gz WHLNOKTVLLTSGA-MSOLQXFVSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000181834865 323271503 /nfs/dbraw/zinc/27/15/03/323271503.db2.gz WHLNOKTVLLTSGA-MSOLQXFVSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000181989799 323278733 /nfs/dbraw/zinc/27/87/33/323278733.db2.gz FXUVPGHHNGTCGW-QFBILLFUSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682005 323392641 /nfs/dbraw/zinc/39/26/41/323392641.db2.gz QUQOWRCBMRMTTQ-ZIAGYGMSSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682284 323392932 /nfs/dbraw/zinc/39/29/32/323392932.db2.gz YISRRHCCYDPXEL-SJLPKXTDSA-N 2 1 315.505 3.495 20 0 DGADMP C[C@@H]([NH2+]CCOc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748690 323394414 /nfs/dbraw/zinc/39/44/14/323394414.db2.gz VMCSTHVYPNKHQB-CVEARBPZSA-N 2 1 320.452 3.447 20 0 DGADMP COc1cc(F)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000580199349 323970464 /nfs/dbraw/zinc/97/04/64/323970464.db2.gz ITMBWZSYCNLKDP-UHFFFAOYSA-N 2 1 324.440 3.242 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC3(O)CCC3)C2)s1 ZINC000581136148 324079952 /nfs/dbraw/zinc/07/99/52/324079952.db2.gz WBQZJWCQYVHALX-MRXNPFEDSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC3(O)CCC3)C2)s1 ZINC000581136148 324079956 /nfs/dbraw/zinc/07/99/56/324079956.db2.gz WBQZJWCQYVHALX-MRXNPFEDSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC3(O)CCC3)C2)s1 ZINC000581136148 324079959 /nfs/dbraw/zinc/07/99/59/324079959.db2.gz WBQZJWCQYVHALX-MRXNPFEDSA-N 2 1 322.518 3.115 20 0 DGADMP c1ccc2c(c1)CC(C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213084 324203261 /nfs/dbraw/zinc/20/32/61/324203261.db2.gz OZPDGGJISHKMNM-CTNGQTDRSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213084 324203264 /nfs/dbraw/zinc/20/32/64/324203264.db2.gz OZPDGGJISHKMNM-CTNGQTDRSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000582213084 324203268 /nfs/dbraw/zinc/20/32/68/324203268.db2.gz OZPDGGJISHKMNM-CTNGQTDRSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000582213084 324203272 /nfs/dbraw/zinc/20/32/72/324203272.db2.gz OZPDGGJISHKMNM-CTNGQTDRSA-N 2 1 310.485 3.350 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC000582546166 324243702 /nfs/dbraw/zinc/24/37/02/324243702.db2.gz DDPMGIUPCMMFJY-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP COc1ccccc1CC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582909078 324290617 /nfs/dbraw/zinc/29/06/17/324290617.db2.gz GDAIZNDKQMSMPY-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1Oc1cccnc1 ZINC000584477364 337347760 /nfs/dbraw/zinc/34/77/60/337347760.db2.gz ATPCCEQOQFOADG-NVXWUHKLSA-N 2 1 311.429 3.494 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000317086437 533783903 /nfs/dbraw/zinc/78/39/03/533783903.db2.gz CXWZSCFMXNLIIS-ZDUSSCGKSA-N 2 1 316.392 3.102 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC(C)C ZINC000435438428 533794857 /nfs/dbraw/zinc/79/48/57/533794857.db2.gz PUGNKDRREXUFOH-INIZCTEOSA-N 2 1 306.450 3.056 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC(C)C ZINC000442922811 533804136 /nfs/dbraw/zinc/80/41/36/533804136.db2.gz LCHQVPYRNRPXSL-HNNXBMFYSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)OCc1ccccc1 ZINC000429541999 533903844 /nfs/dbraw/zinc/90/38/44/533903844.db2.gz QKACOAFECDVBOU-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310431351 533917480 /nfs/dbraw/zinc/91/74/80/533917480.db2.gz SSOPXGYBNJTLBW-RBUKOAKNSA-N 2 1 322.456 3.052 20 0 DGADMP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310431351 533917489 /nfs/dbraw/zinc/91/74/89/533917489.db2.gz SSOPXGYBNJTLBW-RBUKOAKNSA-N 2 1 322.456 3.052 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)CC[NH2+]1 ZINC000414941002 533953106 /nfs/dbraw/zinc/95/31/06/533953106.db2.gz CHRBCRJLFGQQTP-HTQZYQBOSA-N 2 1 323.687 3.394 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000415100425 534040929 /nfs/dbraw/zinc/04/09/29/534040929.db2.gz AGNDUHLKGIANIC-OCCSQVGLSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000415100427 534041027 /nfs/dbraw/zinc/04/10/27/534041027.db2.gz AGNDUHLKGIANIC-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)o1 ZINC000443062642 534214392 /nfs/dbraw/zinc/21/43/92/534214392.db2.gz UOZJXORZRQUKDO-CYBMUJFWSA-N 2 1 305.447 3.272 20 0 DGADMP c1csc(C[N@H+](CC2CCCC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435424360 534520855 /nfs/dbraw/zinc/52/08/55/534520855.db2.gz VFBDECOFNDGIHX-OAHLLOKOSA-N 2 1 305.491 3.277 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000163284997 521710906 /nfs/dbraw/zinc/71/09/06/521710906.db2.gz PQJVQSLXBCCMRE-KBPBESRZSA-N 2 1 308.491 3.410 20 0 DGADMP [NH3+]CCC[N@@H+](CCCCC1CCOCC1)Cc1ccccc1 ZINC000309943301 534608532 /nfs/dbraw/zinc/60/85/32/534608532.db2.gz ICUVUUCPZSTBEV-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)s1)C1CCCC1 ZINC000415071915 534675043 /nfs/dbraw/zinc/67/50/43/534675043.db2.gz XBGHEFKFDLQGRF-LLVKDONJSA-N 2 1 303.269 3.118 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000157897756 524102187 /nfs/dbraw/zinc/10/21/87/524102187.db2.gz OMIVQAHGDKSHLQ-NVXWUHKLSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000156233044 525458650 /nfs/dbraw/zinc/45/86/50/525458650.db2.gz RLUYTLOHWQBKCL-DLBZAZTESA-N 2 1 304.478 3.302 20 0 DGADMP Fc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)oc2c1 ZINC000163466967 526376750 /nfs/dbraw/zinc/37/67/50/526376750.db2.gz TVRMVFUEMWIBJZ-UHFFFAOYSA-N 2 1 317.408 3.275 20 0 DGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415039576 526878898 /nfs/dbraw/zinc/87/88/98/526878898.db2.gz JFAWVPGUYACXDN-HIFRSBDPSA-N 2 1 307.507 3.405 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415039576 526878901 /nfs/dbraw/zinc/87/89/01/526878901.db2.gz JFAWVPGUYACXDN-HIFRSBDPSA-N 2 1 307.507 3.405 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000430601453 527170969 /nfs/dbraw/zinc/17/09/69/527170969.db2.gz UIMHPALHLQWKCO-WBVHZDCISA-N 2 1 302.462 3.374 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000428452475 527711848 /nfs/dbraw/zinc/71/18/48/527711848.db2.gz BUZFOAGBOOWKOA-IEBWSBKVSA-N 2 1 313.489 3.203 20 0 DGADMP CCCC1CCC(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000441340920 528066647 /nfs/dbraw/zinc/06/66/47/528066647.db2.gz LNXCAQVJNOEOEE-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)CC1 ZINC000299469028 528254125 /nfs/dbraw/zinc/25/41/25/528254125.db2.gz FYJVUWGMYCIHIG-QUCCMNQESA-N 2 1 316.489 3.164 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3ccccc3)C2)CC1 ZINC000299469028 528254126 /nfs/dbraw/zinc/25/41/26/528254126.db2.gz FYJVUWGMYCIHIG-QUCCMNQESA-N 2 1 316.489 3.164 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC ZINC000415053837 528264093 /nfs/dbraw/zinc/26/40/93/528264093.db2.gz PEDLDOUFSQZHQQ-IAGOWNOFSA-N 2 1 318.461 3.058 20 0 DGADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000433132490 528445157 /nfs/dbraw/zinc/44/51/57/528445157.db2.gz BYHYSOWNBUQRRM-CRAIPNDOSA-N 2 1 317.477 3.088 20 0 DGADMP CCCCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435435217 528653097 /nfs/dbraw/zinc/65/30/97/528653097.db2.gz ARIIQEPFFQREBQ-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OC ZINC000415052912 528654339 /nfs/dbraw/zinc/65/43/39/528654339.db2.gz LZLPWFPMICFKDQ-KRWDZBQOSA-N 2 1 308.466 3.337 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435435202 528661402 /nfs/dbraw/zinc/66/14/02/528661402.db2.gz XGFMFXASRDCMJE-MRXNPFEDSA-N 2 1 306.450 3.058 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430145948 528672473 /nfs/dbraw/zinc/67/24/73/528672473.db2.gz FVWSTTNETPXRIG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430145948 528672478 /nfs/dbraw/zinc/67/24/78/528672478.db2.gz FVWSTTNETPXRIG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430145948 528672486 /nfs/dbraw/zinc/67/24/86/528672486.db2.gz FVWSTTNETPXRIG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430145948 528672491 /nfs/dbraw/zinc/67/24/91/528672491.db2.gz FVWSTTNETPXRIG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430136920 528702186 /nfs/dbraw/zinc/70/21/86/528702186.db2.gz XIXJVWWUDIKAPV-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430136920 528702192 /nfs/dbraw/zinc/70/21/92/528702192.db2.gz XIXJVWWUDIKAPV-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430136920 528702198 /nfs/dbraw/zinc/70/21/98/528702198.db2.gz XIXJVWWUDIKAPV-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430136920 528702200 /nfs/dbraw/zinc/70/22/00/528702200.db2.gz XIXJVWWUDIKAPV-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCn1nc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000435370192 528890779 /nfs/dbraw/zinc/89/07/79/528890779.db2.gz HRSFSSUFZGRPSM-OAHLLOKOSA-N 2 1 300.450 3.020 20 0 DGADMP CCn1nc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000435370192 528890781 /nfs/dbraw/zinc/89/07/81/528890781.db2.gz HRSFSSUFZGRPSM-OAHLLOKOSA-N 2 1 300.450 3.020 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000180162341 528977325 /nfs/dbraw/zinc/97/73/25/528977325.db2.gz HLMCPPYGOPIORG-CEXWTWQISA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493944681 535175845 /nfs/dbraw/zinc/17/58/45/535175845.db2.gz KBHJNCQHLOBMHD-AEFFLSMTSA-N 2 1 302.462 3.090 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000472580683 535503146 /nfs/dbraw/zinc/50/31/46/535503146.db2.gz RTRFVIWCQMOZON-IBGZPJMESA-N 2 1 303.494 3.319 20 0 DGADMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000449130791 535701692 /nfs/dbraw/zinc/70/16/92/535701692.db2.gz HURIJZUXEHKOGA-IBGZPJMESA-N 2 1 309.542 3.209 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000470258241 536522183 /nfs/dbraw/zinc/52/21/83/536522183.db2.gz GEPUANCHMAGKRL-SQWLQELKSA-N 2 1 308.441 3.085 20 0 DGADMP COc1cccc2c(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cccc12 ZINC000449261240 536932430 /nfs/dbraw/zinc/93/24/30/536932430.db2.gz AVUWDZYPTNVIGM-OAHLLOKOSA-N 2 1 321.424 3.397 20 0 DGADMP COc1cccc2c(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cccc12 ZINC000449261239 536932550 /nfs/dbraw/zinc/93/25/50/536932550.db2.gz AVUWDZYPTNVIGM-HNNXBMFYSA-N 2 1 321.424 3.397 20 0 DGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089597309 545815620 /nfs/dbraw/zinc/81/56/20/545815620.db2.gz ZJZIJUBLCWWJGT-IAGOWNOFSA-N 2 1 302.462 3.405 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000089516736 545816125 /nfs/dbraw/zinc/81/61/25/545816125.db2.gz OUTCWUTYEWIOCW-DLBZAZTESA-N 2 1 302.462 3.189 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(C)c1 ZINC000090218643 545824953 /nfs/dbraw/zinc/82/49/53/545824953.db2.gz BCJIKUJZKORPQY-KZNAEPCWSA-N 2 1 302.462 3.369 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090909514 545831125 /nfs/dbraw/zinc/83/11/25/545831125.db2.gz RRIQOWUJNAJKOD-RYQLBKOJSA-N 2 1 302.462 3.090 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1F ZINC000166776700 546095776 /nfs/dbraw/zinc/09/57/76/546095776.db2.gz ZLSFJJKHIVWWQF-ARFHVFGLSA-N 2 1 306.425 3.200 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000166737874 546096486 /nfs/dbraw/zinc/09/64/86/546096486.db2.gz IMGDAVNNWCGIBW-VNQPRFMTSA-N 2 1 308.853 3.324 20 0 DGADMP CCc1nn(C)cc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000185158848 546186559 /nfs/dbraw/zinc/18/65/59/546186559.db2.gz NYRRTPARBASYDO-UHFFFAOYSA-N 2 1 306.498 3.117 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000190955559 546220760 /nfs/dbraw/zinc/22/07/60/546220760.db2.gz DFMPZDRTIPAJRX-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP Cc1cccc([C@@H](CNc2cc[nH+]cc2C)[NH+]2CCOCC2)c1 ZINC000191978813 546228343 /nfs/dbraw/zinc/22/83/43/546228343.db2.gz MWMQYKQRSFHOBE-LJQANCHMSA-N 2 1 311.429 3.184 20 0 DGADMP COc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1F ZINC000192667426 546235394 /nfs/dbraw/zinc/23/53/94/546235394.db2.gz XGOXIKCCZZCJLZ-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP CCc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192960054 546239242 /nfs/dbraw/zinc/23/92/42/546239242.db2.gz RNJIECZLZMUCEF-QGZVFWFLSA-N 2 1 310.445 3.281 20 0 DGADMP CCc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192960054 546239247 /nfs/dbraw/zinc/23/92/47/546239247.db2.gz RNJIECZLZMUCEF-QGZVFWFLSA-N 2 1 310.445 3.281 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccnn1-c1ccccc1 ZINC000281782836 546389891 /nfs/dbraw/zinc/38/98/91/546389891.db2.gz XIFLRIXCPSQRRS-BQFCYCMXSA-N 2 1 312.461 3.396 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500748 546397583 /nfs/dbraw/zinc/39/75/83/546397583.db2.gz CPJCBTCVECDVRK-HOTGVXAUSA-N 2 1 312.461 3.492 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500748 546397585 /nfs/dbraw/zinc/39/75/85/546397585.db2.gz CPJCBTCVECDVRK-HOTGVXAUSA-N 2 1 312.461 3.492 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000309887796 546451796 /nfs/dbraw/zinc/45/17/96/546451796.db2.gz AEBXVCNTVZMBAC-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339066177 546531508 /nfs/dbraw/zinc/53/15/08/546531508.db2.gz ILFQJSMULJZQRP-MOPGFXCFSA-N 2 1 324.472 3.206 20 0 DGADMP CCN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1C ZINC000339067709 546531935 /nfs/dbraw/zinc/53/19/35/546531935.db2.gz KXDWMCGTOJERLT-ROUUACIJSA-N 2 1 301.478 3.038 20 0 DGADMP CCN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1C ZINC000339067708 546532116 /nfs/dbraw/zinc/53/21/16/546532116.db2.gz KXDWMCGTOJERLT-MSOLQXFVSA-N 2 1 301.478 3.038 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339077172 546532899 /nfs/dbraw/zinc/53/28/99/546532899.db2.gz ZKYFKKCOEKQZCJ-ROUUACIJSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339077172 546532902 /nfs/dbraw/zinc/53/29/02/546532902.db2.gz ZKYFKKCOEKQZCJ-ROUUACIJSA-N 2 1 302.462 3.438 20 0 DGADMP Fc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339072167 546533027 /nfs/dbraw/zinc/53/30/27/546533027.db2.gz UHFAIFXKUJZPTI-LNLFQRSKSA-N 2 1 317.452 3.011 20 0 DGADMP c1ccc(CCOCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339076560 546533109 /nfs/dbraw/zinc/53/31/09/546533109.db2.gz ULKLEBCQFBVSBP-UXHICEINSA-N 2 1 316.489 3.242 20 0 DGADMP Clc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339068537 546533297 /nfs/dbraw/zinc/53/32/97/546533297.db2.gz QZHAKDHTYXMLOF-XYJFISCASA-N 2 1 319.880 3.135 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1OC ZINC000347191533 546583132 /nfs/dbraw/zinc/58/31/32/546583132.db2.gz HMXSYIDKCMOXMG-DOTOQJQBSA-N 2 1 305.466 3.080 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361679179 546720031 /nfs/dbraw/zinc/72/00/31/546720031.db2.gz UTOVQEQTOVCMHD-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361679179 546720037 /nfs/dbraw/zinc/72/00/37/546720037.db2.gz UTOVQEQTOVCMHD-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361679179 546720042 /nfs/dbraw/zinc/72/00/42/546720042.db2.gz UTOVQEQTOVCMHD-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381097668 546738129 /nfs/dbraw/zinc/73/81/29/546738129.db2.gz YTIJVEXNDRYFSB-SLFFLAALSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000381214775 546738995 /nfs/dbraw/zinc/73/89/95/546738995.db2.gz YEYIQTKFFYZZHI-YLJYHZDGSA-N 2 1 318.505 3.344 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(C)C ZINC000414304752 546784451 /nfs/dbraw/zinc/78/44/51/546784451.db2.gz CZKIHVXLAPUXSJ-FCGDIQPGSA-N 2 1 304.478 3.207 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(C)C ZINC000414304752 546784458 /nfs/dbraw/zinc/78/44/58/546784458.db2.gz CZKIHVXLAPUXSJ-FCGDIQPGSA-N 2 1 304.478 3.207 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422857450 546806863 /nfs/dbraw/zinc/80/68/63/546806863.db2.gz HPYXVUVSKPURJG-UXHICEINSA-N 2 1 310.441 3.373 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486980714 546915265 /nfs/dbraw/zinc/91/52/65/546915265.db2.gz OGCHJTFHTADLQY-KBPBESRZSA-N 2 1 307.507 3.478 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000645154302 547066351 /nfs/dbraw/zinc/06/63/51/547066351.db2.gz SXWUMFZTPHSIAE-UHFFFAOYSA-N 2 1 315.505 3.071 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647903948 547068610 /nfs/dbraw/zinc/06/86/10/547068610.db2.gz SZCTXEDHXWKBDX-MAUKXSAKSA-N 2 1 320.502 3.251 20 0 DGADMP COCc1csc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000667534916 547214410 /nfs/dbraw/zinc/21/44/10/547214410.db2.gz PDWLZYYGRMSJRN-UHFFFAOYSA-N 2 1 310.507 3.447 20 0 DGADMP C[N@H+](Cc1cccc(OC2CC2)c1F)CC1CC[NH+](C)CC1 ZINC000667597154 547239489 /nfs/dbraw/zinc/23/94/89/547239489.db2.gz CNWQENPDCAFXFF-UHFFFAOYSA-N 2 1 306.425 3.141 20 0 DGADMP Cc1cccc([C@@H]2CCCN2Cc2ccnn2-c2ccncc2)n1 ZINC000667643080 547253971 /nfs/dbraw/zinc/25/39/71/547253971.db2.gz TVQJGXJCSBFITR-IBGZPJMESA-N 2 1 319.412 3.308 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666622 547265468 /nfs/dbraw/zinc/26/54/68/547265468.db2.gz SLKSEJYSSFDEDW-RISCZKNCSA-N 2 1 300.368 3.266 20 0 DGADMP C[C@H]1C[C@@H](N(C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667445 547267655 /nfs/dbraw/zinc/26/76/55/547267655.db2.gz NAUCSGGMMAADCZ-ZFWWWQNUSA-N 2 1 306.425 3.281 20 0 DGADMP C[C@]1(c2ccccc2)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673212 547269753 /nfs/dbraw/zinc/26/97/53/547269753.db2.gz VDDPVEAHEHLPTP-FQEVSTJZSA-N 2 1 318.424 3.431 20 0 DGADMP C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673212 547269756 /nfs/dbraw/zinc/26/97/56/547269756.db2.gz VDDPVEAHEHLPTP-FQEVSTJZSA-N 2 1 318.424 3.431 20 0 DGADMP CCCOc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C)c1 ZINC000667947339 547343107 /nfs/dbraw/zinc/34/31/07/547343107.db2.gz NFCBYQJBWFOBQD-LPHOPBHVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1 ZINC000667947339 547343109 /nfs/dbraw/zinc/34/31/09/547343109.db2.gz NFCBYQJBWFOBQD-LPHOPBHVSA-N 2 1 302.462 3.310 20 0 DGADMP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667947205 547343723 /nfs/dbraw/zinc/34/37/23/547343723.db2.gz JIRSEXOMAUZJAP-LDTOTXGLSA-N 2 1 314.473 3.054 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000668188237 547408418 /nfs/dbraw/zinc/40/84/18/547408418.db2.gz APAUZIJSKKIMRA-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000668188237 547408422 /nfs/dbraw/zinc/40/84/22/547408422.db2.gz APAUZIJSKKIMRA-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000668188237 547408425 /nfs/dbraw/zinc/40/84/25/547408425.db2.gz APAUZIJSKKIMRA-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000668586894 547485742 /nfs/dbraw/zinc/48/57/42/547485742.db2.gz HECQMBKXSNYCCA-GOSISDBHSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000668586894 547485746 /nfs/dbraw/zinc/48/57/46/547485746.db2.gz HECQMBKXSNYCCA-GOSISDBHSA-N 2 1 301.478 3.319 20 0 DGADMP C[C@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269419 547742426 /nfs/dbraw/zinc/74/24/26/547742426.db2.gz CFDZKLCOVZBMCW-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269419 547742429 /nfs/dbraw/zinc/74/24/29/547742429.db2.gz CFDZKLCOVZBMCW-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269419 547742430 /nfs/dbraw/zinc/74/24/30/547742430.db2.gz CFDZKLCOVZBMCW-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269419 547742431 /nfs/dbraw/zinc/74/24/31/547742431.db2.gz CFDZKLCOVZBMCW-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000671724898 547817156 /nfs/dbraw/zinc/81/71/56/547817156.db2.gz VTZXDERFWJRIRL-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP Cc1cc(C)cc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000671724898 547817159 /nfs/dbraw/zinc/81/71/59/547817159.db2.gz VTZXDERFWJRIRL-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP Cc1cc(C)cc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000671724898 547817164 /nfs/dbraw/zinc/81/71/64/547817164.db2.gz VTZXDERFWJRIRL-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)[NH+]1CCCCC1 ZINC000671760435 547829628 /nfs/dbraw/zinc/82/96/28/547829628.db2.gz IJOAPQQZOOZELR-ZIAGYGMSSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675766173 548265943 /nfs/dbraw/zinc/26/59/43/548265943.db2.gz XEQOKRWLQZSXKJ-IXDOHACOSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675766173 548265946 /nfs/dbraw/zinc/26/59/46/548265946.db2.gz XEQOKRWLQZSXKJ-IXDOHACOSA-N 2 1 309.542 3.063 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2OC)[C@@H](C)C1 ZINC000675787810 548271243 /nfs/dbraw/zinc/27/12/43/548271243.db2.gz BUKRJDVMRRSWIE-RDJZCZTQSA-N 2 1 304.478 3.293 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000675881785 548282907 /nfs/dbraw/zinc/28/29/07/548282907.db2.gz NHVWKCPMBBOEOI-MJGOQNOKSA-N 2 1 318.436 3.046 20 0 DGADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881163 548283202 /nfs/dbraw/zinc/28/32/02/548283202.db2.gz KAYNHAMOTNXKCS-RDJZCZTQSA-N 2 1 320.502 3.359 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](C)c1ccccc1 ZINC000675881938 548283444 /nfs/dbraw/zinc/28/34/44/548283444.db2.gz NRKIBZXRXNJGSH-FUHIMQAGSA-N 2 1 316.489 3.412 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000676412593 548360059 /nfs/dbraw/zinc/36/00/59/548360059.db2.gz RKFOHDIXJNQGMH-UHFFFAOYSA-N 2 1 310.441 3.185 20 0 DGADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCCOC2)CC3)cc1 ZINC000677819990 548561469 /nfs/dbraw/zinc/56/14/69/548561469.db2.gz RCMLDNOZRMGUTN-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678137726 548622819 /nfs/dbraw/zinc/62/28/19/548622819.db2.gz TXKCHRQXFLSXAD-OAHLLOKOSA-N 2 1 302.418 3.413 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000678212600 548640084 /nfs/dbraw/zinc/64/00/84/548640084.db2.gz ANOXLXMPOPEEAA-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678608714 548740820 /nfs/dbraw/zinc/74/08/20/548740820.db2.gz RRIQOWUJNAJKOD-SZMVWBNQSA-N 2 1 302.462 3.090 20 0 DGADMP CC(C)[C@H]1CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678851618 548779548 /nfs/dbraw/zinc/77/95/48/548779548.db2.gz SADVBIAPOOLNMW-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP c1oc2ccccc2c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678930545 548795038 /nfs/dbraw/zinc/79/50/38/548795038.db2.gz TVNSQCOQSKNCOG-QGZVFWFLSA-N 2 1 314.429 3.166 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679370601 548887530 /nfs/dbraw/zinc/88/75/30/548887530.db2.gz RWYNJXJRAPAZBA-UMGGQSCQSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378563 549044016 /nfs/dbraw/zinc/04/40/16/549044016.db2.gz YBNNWQDACHQMNT-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378563 549044019 /nfs/dbraw/zinc/04/40/19/549044019.db2.gz YBNNWQDACHQMNT-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP COC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000680469742 549056510 /nfs/dbraw/zinc/05/65/10/549056510.db2.gz JOOWMXVCDZSKNX-RDLPGAODSA-N 2 1 314.473 3.054 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000681547862 549221587 /nfs/dbraw/zinc/22/15/87/549221587.db2.gz QRKWNNLZJHNESJ-UHFFFAOYSA-N 2 1 315.751 3.007 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076643 549286083 /nfs/dbraw/zinc/28/60/83/549286083.db2.gz VCQKUGAUQIRUJQ-PKOBYXMFSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345867 549472279 /nfs/dbraw/zinc/47/22/79/549472279.db2.gz MVBKHMPEEIISIV-ACJLOTCBSA-N 2 1 324.415 3.043 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345867 549472282 /nfs/dbraw/zinc/47/22/82/549472282.db2.gz MVBKHMPEEIISIV-ACJLOTCBSA-N 2 1 324.415 3.043 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000683705114 549522806 /nfs/dbraw/zinc/52/28/06/549522806.db2.gz MCEFCBXBYYNDHS-APWZRJJASA-N 2 1 302.462 3.023 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000684551788 549657149 /nfs/dbraw/zinc/65/71/49/549657149.db2.gz GYWYRMMAPSEPBB-PBHICJAKSA-N 2 1 318.461 3.013 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000684551791 549657260 /nfs/dbraw/zinc/65/72/60/549657260.db2.gz GYWYRMMAPSEPBB-YOEHRIQHSA-N 2 1 318.461 3.013 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000685457422 549763017 /nfs/dbraw/zinc/76/30/17/549763017.db2.gz ZGKSHNOHSPOHHK-QWFCFKBJSA-N 2 1 321.553 3.303 20 0 DGADMP CCc1nn(C)cc1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456476 549763435 /nfs/dbraw/zinc/76/34/35/549763435.db2.gz YUZZVALHYGQIIN-UHFFFAOYSA-N 2 1 314.477 3.066 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(-n2cccn2)c1 ZINC000685462724 549765529 /nfs/dbraw/zinc/76/55/29/549765529.db2.gz VWXXRIVGTGHIOB-UHFFFAOYSA-N 2 1 300.450 3.036 20 0 DGADMP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@@H](n4ccnc4)C3)c2)cc1 ZINC000738159984 574860310 /nfs/dbraw/zinc/86/03/10/574860310.db2.gz VJVJCHKNPXXDSM-LJQANCHMSA-N 2 1 321.428 3.350 20 0 DGADMP Cc1ccc(-c2cnn(CN3CCC[C@@H](n4ccnc4)C3)c2)cc1 ZINC000738159984 574860311 /nfs/dbraw/zinc/86/03/11/574860311.db2.gz VJVJCHKNPXXDSM-LJQANCHMSA-N 2 1 321.428 3.350 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000739876463 574914340 /nfs/dbraw/zinc/91/43/40/574914340.db2.gz SRMOGPADQCRQLQ-QGZVFWFLSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000739876463 574914342 /nfs/dbraw/zinc/91/43/42/574914342.db2.gz SRMOGPADQCRQLQ-QGZVFWFLSA-N 2 1 312.461 3.028 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000742385801 574995019 /nfs/dbraw/zinc/99/50/19/574995019.db2.gz VIYNRJRHXFETMK-DOTOQJQBSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000742385801 574995022 /nfs/dbraw/zinc/99/50/22/574995022.db2.gz VIYNRJRHXFETMK-DOTOQJQBSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000742385804 574995080 /nfs/dbraw/zinc/99/50/80/574995080.db2.gz VIYNRJRHXFETMK-WBVHZDCISA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000742385804 574995083 /nfs/dbraw/zinc/99/50/83/574995083.db2.gz VIYNRJRHXFETMK-WBVHZDCISA-N 2 1 320.477 3.302 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683334 575260623 /nfs/dbraw/zinc/26/06/23/575260623.db2.gz KJJMEMBDYJNWLF-WOJBJXKFSA-N 2 1 322.452 3.306 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683334 575260624 /nfs/dbraw/zinc/26/06/24/575260624.db2.gz KJJMEMBDYJNWLF-WOJBJXKFSA-N 2 1 322.452 3.306 20 0 DGADMP CCCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC000746659356 575467800 /nfs/dbraw/zinc/46/78/00/575467800.db2.gz NXOIWRVLMIANEF-MJGOQNOKSA-N 2 1 304.478 3.306 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC000746659356 575467802 /nfs/dbraw/zinc/46/78/02/575467802.db2.gz NXOIWRVLMIANEF-MJGOQNOKSA-N 2 1 304.478 3.306 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000749290801 575642763 /nfs/dbraw/zinc/64/27/63/575642763.db2.gz BQTWIOVCPFGBBF-SFHVURJKSA-N 2 1 304.478 3.091 20 0 DGADMP C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726072367 576006184 /nfs/dbraw/zinc/00/61/84/576006184.db2.gz QIHHFDDTVMSCKD-HXUWFJFHSA-N 2 1 324.468 3.242 20 0 DGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726072367 576006192 /nfs/dbraw/zinc/00/61/92/576006192.db2.gz QIHHFDDTVMSCKD-HXUWFJFHSA-N 2 1 324.468 3.242 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000747531297 576033320 /nfs/dbraw/zinc/03/33/20/576033320.db2.gz HRZURTXNFPOQKG-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000747531297 576033326 /nfs/dbraw/zinc/03/33/26/576033326.db2.gz HRZURTXNFPOQKG-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000747531297 576033330 /nfs/dbraw/zinc/03/33/30/576033330.db2.gz HRZURTXNFPOQKG-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000747531297 576033336 /nfs/dbraw/zinc/03/33/36/576033336.db2.gz HRZURTXNFPOQKG-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(OCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000728571400 576188234 /nfs/dbraw/zinc/18/82/34/576188234.db2.gz DBZSOIHSMNQXJY-UHFFFAOYSA-N 2 1 304.478 3.426 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694652 620641680 /nfs/dbraw/zinc/64/16/80/620641680.db2.gz XVDZPZFBWBRECJ-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694652 620641683 /nfs/dbraw/zinc/64/16/83/620641683.db2.gz XVDZPZFBWBRECJ-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728721 620643577 /nfs/dbraw/zinc/64/35/77/620643577.db2.gz GERDGZSGOFOPDI-SJORKVTESA-N 2 1 321.852 3.193 20 0 DGADMP C[N@@H+](Cc1cc(F)ccc1OC(F)F)C1CCC([NH3+])CC1 ZINC000852740367 620644526 /nfs/dbraw/zinc/64/45/26/620644526.db2.gz CREWIMWRYZJZNC-UHFFFAOYSA-N 2 1 302.340 3.129 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1F ZINC000852743258 620645177 /nfs/dbraw/zinc/64/51/77/620645177.db2.gz UEXGFWQMEWBGEH-UHFFFAOYSA-N 2 1 314.404 3.112 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)n1 ZINC000852754744 620646151 /nfs/dbraw/zinc/64/61/51/620646151.db2.gz ZNIREWBINKBENS-OAHLLOKOSA-N 2 1 307.869 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239956 620680854 /nfs/dbraw/zinc/68/08/54/620680854.db2.gz KNQYYTLMTKCDLC-RDJZCZTQSA-N 2 1 314.473 3.394 20 0 DGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325382 617939693 /nfs/dbraw/zinc/93/96/93/617939693.db2.gz LRILKRPFFDGTJN-ZCNNSNEGSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106830 617964188 /nfs/dbraw/zinc/96/41/88/617964188.db2.gz YBZAPLCOLXCAGO-KDOFPFPSSA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106830 617964191 /nfs/dbraw/zinc/96/41/91/617964191.db2.gz YBZAPLCOLXCAGO-KDOFPFPSSA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106830 617964193 /nfs/dbraw/zinc/96/41/93/617964193.db2.gz YBZAPLCOLXCAGO-KDOFPFPSSA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106830 617964195 /nfs/dbraw/zinc/96/41/95/617964195.db2.gz YBZAPLCOLXCAGO-KDOFPFPSSA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106830 617964197 /nfs/dbraw/zinc/96/41/97/617964197.db2.gz YBZAPLCOLXCAGO-KDOFPFPSSA-N 2 1 306.498 3.243 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000892225101 617989146 /nfs/dbraw/zinc/98/91/46/617989146.db2.gz MCJNDJLXCJAJLX-RTBURBONSA-N 2 1 320.452 3.055 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000892460746 618072173 /nfs/dbraw/zinc/07/21/73/618072173.db2.gz UWUUYGIZCAGXPR-UHFFFAOYSA-N 2 1 306.498 3.292 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(OC)o2)cc1 ZINC000892460884 618072393 /nfs/dbraw/zinc/07/23/93/618072393.db2.gz WHKVQYKQNZXNFW-UHFFFAOYSA-N 2 1 302.418 3.420 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000892465057 618072784 /nfs/dbraw/zinc/07/27/84/618072784.db2.gz BIVAXCMBPVMZFS-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000926738486 618102898 /nfs/dbraw/zinc/10/28/98/618102898.db2.gz LQGIQKFNSFFLFM-LJQANCHMSA-N 2 1 321.553 3.209 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000926738486 618102901 /nfs/dbraw/zinc/10/29/01/618102901.db2.gz LQGIQKFNSFFLFM-LJQANCHMSA-N 3 1 321.553 3.209 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000926738486 618102904 /nfs/dbraw/zinc/10/29/04/618102904.db2.gz LQGIQKFNSFFLFM-LJQANCHMSA-N 3 1 321.553 3.209 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752590 618109678 /nfs/dbraw/zinc/10/96/78/618109678.db2.gz BDOCYCDCDKDEQW-AEFFLSMTSA-N 3 1 303.494 3.131 20 0 DGADMP C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752590 618109680 /nfs/dbraw/zinc/10/96/80/618109680.db2.gz BDOCYCDCDKDEQW-AEFFLSMTSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752590 618109681 /nfs/dbraw/zinc/10/96/81/618109681.db2.gz BDOCYCDCDKDEQW-AEFFLSMTSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000892583776 618112559 /nfs/dbraw/zinc/11/25/59/618112559.db2.gz DXZSJOFUXXXTOY-KFWWJZLASA-N 2 1 317.315 3.262 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2ccnc2s1 ZINC000892585218 618113167 /nfs/dbraw/zinc/11/31/67/618113167.db2.gz RNIUFQSHAVNCOO-AWEZNQCLSA-N 2 1 306.479 3.140 20 0 DGADMP Cc1cc(F)ncc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000892590453 618114217 /nfs/dbraw/zinc/11/42/17/618114217.db2.gz VAGSZNJWDDVRSF-GASCZTMLSA-N 2 1 307.457 3.377 20 0 DGADMP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC000892731848 618150721 /nfs/dbraw/zinc/15/07/21/618150721.db2.gz UKUBRENGRXCCRH-AWEZNQCLSA-N 2 1 312.461 3.220 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC000892731848 618150723 /nfs/dbraw/zinc/15/07/23/618150723.db2.gz UKUBRENGRXCCRH-AWEZNQCLSA-N 2 1 312.461 3.220 20 0 DGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)CN1CCCC1 ZINC000920096501 620782723 /nfs/dbraw/zinc/78/27/23/620782723.db2.gz YKZQZCKHQDHGTB-FQEVSTJZSA-N 2 1 312.457 3.118 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)CN1CCCC1 ZINC000920096501 620782724 /nfs/dbraw/zinc/78/27/24/620782724.db2.gz YKZQZCKHQDHGTB-FQEVSTJZSA-N 2 1 312.457 3.118 20 0 DGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH+]1CCCC1 ZINC000920096501 620782725 /nfs/dbraw/zinc/78/27/25/620782725.db2.gz YKZQZCKHQDHGTB-FQEVSTJZSA-N 2 1 312.457 3.118 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH+]1CCCC1 ZINC000920096501 620782726 /nfs/dbraw/zinc/78/27/26/620782726.db2.gz YKZQZCKHQDHGTB-FQEVSTJZSA-N 2 1 312.457 3.118 20 0 DGADMP CCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000894456550 618338672 /nfs/dbraw/zinc/33/86/72/618338672.db2.gz QTWTXGDJMHXNCV-UHFFFAOYSA-N 2 1 302.418 3.372 20 0 DGADMP CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000894456550 618338677 /nfs/dbraw/zinc/33/86/77/618338677.db2.gz QTWTXGDJMHXNCV-UHFFFAOYSA-N 2 1 302.418 3.372 20 0 DGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000894451731 618338795 /nfs/dbraw/zinc/33/87/95/618338795.db2.gz HJIUJFUITJKYLQ-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455712 618339615 /nfs/dbraw/zinc/33/96/15/618339615.db2.gz IHIOPAVFTAYMJG-UHFFFAOYSA-N 2 1 302.418 3.372 20 0 DGADMP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894483539 618347169 /nfs/dbraw/zinc/34/71/69/618347169.db2.gz LLVOUHALGRMDEY-KRWDZBQOSA-N 2 1 304.482 3.285 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)[C@@H](C)C1 ZINC000925078032 618421879 /nfs/dbraw/zinc/42/18/79/618421879.db2.gz IRSKNYNKWIICFG-FUHWJXTLSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925513298 618451356 /nfs/dbraw/zinc/45/13/56/618451356.db2.gz IOSVEHXGAKBMEV-NZSAHSFTSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925513298 618451360 /nfs/dbraw/zinc/45/13/60/618451360.db2.gz IOSVEHXGAKBMEV-NZSAHSFTSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925513298 618451362 /nfs/dbraw/zinc/45/13/62/618451362.db2.gz IOSVEHXGAKBMEV-NZSAHSFTSA-N 3 1 307.526 3.009 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]([NH3+])C1 ZINC000925528941 618473481 /nfs/dbraw/zinc/47/34/81/618473481.db2.gz GPVTZDVUKFXBSP-WBVHZDCISA-N 3 1 307.526 3.279 20 0 DGADMP CCn1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2)n1 ZINC000894853613 618477259 /nfs/dbraw/zinc/47/72/59/618477259.db2.gz YVOYSPZQBAHKRE-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP CCn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000894853613 618477262 /nfs/dbraw/zinc/47/72/62/618477262.db2.gz YVOYSPZQBAHKRE-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP CCn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000894853613 618477264 /nfs/dbraw/zinc/47/72/64/618477264.db2.gz YVOYSPZQBAHKRE-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000925533832 618477848 /nfs/dbraw/zinc/47/78/48/618477848.db2.gz HFFAYYLGBQVMPZ-UXHICEINSA-N 3 1 319.537 3.151 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925552829 618490215 /nfs/dbraw/zinc/49/02/15/618490215.db2.gz LJSJAOJTOVUPDL-RLLQIKCJSA-N 3 1 321.553 3.399 20 0 DGADMP c1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925566981 618495436 /nfs/dbraw/zinc/49/54/36/618495436.db2.gz ICVSXYFAMYLBPU-KSZLIROESA-N 2 1 300.446 3.029 20 0 DGADMP CC(C)(C)c1nc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cs1 ZINC000925626783 618513574 /nfs/dbraw/zinc/51/35/74/618513574.db2.gz QSGVOBRIPIPAFT-AWEZNQCLSA-N 2 1 307.507 3.247 20 0 DGADMP CCCSC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000895116103 618541283 /nfs/dbraw/zinc/54/12/83/618541283.db2.gz RDLCTFKYYMQTSI-NXHRZFHOSA-N 2 1 306.519 3.453 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925719358 618548968 /nfs/dbraw/zinc/54/89/68/618548968.db2.gz SOCPQBNVRGBXBD-KRWDZBQOSA-N 2 1 301.409 3.032 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721506 618550441 /nfs/dbraw/zinc/55/04/41/618550441.db2.gz CWYCWFUDGBMPHL-JQHSSLGASA-N 2 1 302.462 3.404 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721504 618550465 /nfs/dbraw/zinc/55/04/65/618550465.db2.gz CWYCWFUDGBMPHL-CGTJXYLNSA-N 2 1 302.462 3.404 20 0 DGADMP Clc1cccc2c(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)c[nH]c21 ZINC000925725774 618563728 /nfs/dbraw/zinc/56/37/28/618563728.db2.gz WADQFMXKKHYZQO-OAHLLOKOSA-N 2 1 303.837 3.238 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487709 618570159 /nfs/dbraw/zinc/57/01/59/618570159.db2.gz LNXNSROYPKOVBO-UKRRQHHQSA-N 2 1 306.425 3.274 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnc1F ZINC000893489589 618570973 /nfs/dbraw/zinc/57/09/73/618570973.db2.gz ZTPBREFLAPWUKW-GDBMZVCRSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnc1F ZINC000893489589 618570975 /nfs/dbraw/zinc/57/09/75/618570975.db2.gz ZTPBREFLAPWUKW-GDBMZVCRSA-N 2 1 305.441 3.272 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)OC1 ZINC000925730308 618580943 /nfs/dbraw/zinc/58/09/43/618580943.db2.gz DSDJCCCDQGNKQD-KURKYZTESA-N 2 1 302.462 3.275 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1OC ZINC000895299951 618590744 /nfs/dbraw/zinc/59/07/44/618590744.db2.gz OTEUVTVAYIQYRS-GFCCVEGCSA-N 2 1 314.857 3.177 20 0 DGADMP Cc1cc([C@@H]([NH2+]CCC(C)(C)[NH3+])c2cccnc2)ccc1F ZINC000925738272 618591394 /nfs/dbraw/zinc/59/13/94/618591394.db2.gz PRYNQINASTYCHG-QGZVFWFLSA-N 2 1 301.409 3.336 20 0 DGADMP CC1=NO[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895301698 618591903 /nfs/dbraw/zinc/59/19/03/618591903.db2.gz KGJZOJBCRZRQBX-NZSAHSFTSA-N 2 1 313.445 3.109 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC000925751943 618594786 /nfs/dbraw/zinc/59/47/86/618594786.db2.gz RVMDGEBESVAMTL-MGPQQGTHSA-N 2 1 305.491 3.319 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000925752238 618595213 /nfs/dbraw/zinc/59/52/13/618595213.db2.gz UBLVLZIEPNGGGP-CABCVRRESA-N 2 1 313.470 3.296 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000925752238 618595215 /nfs/dbraw/zinc/59/52/15/618595215.db2.gz UBLVLZIEPNGGGP-CABCVRRESA-N 2 1 313.470 3.296 20 0 DGADMP CC1(C)CO[C@H](CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925776585 618615996 /nfs/dbraw/zinc/61/59/96/618615996.db2.gz XYZSLHOBJQBKAJ-RCCFBDPRSA-N 2 1 302.462 3.275 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Cl)c1 ZINC000925778523 618616730 /nfs/dbraw/zinc/61/67/30/618616730.db2.gz JSSMXTFSAKRLFG-ONGXEEELSA-N 2 1 306.759 3.375 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780185 618617564 /nfs/dbraw/zinc/61/75/64/618617564.db2.gz SBJFTIZFXBAXMD-HIFRSBDPSA-N 2 1 312.404 3.371 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780193 618617582 /nfs/dbraw/zinc/61/75/82/618617582.db2.gz SBJFTIZFXBAXMD-UKRRQHHQSA-N 2 1 312.404 3.371 20 0 DGADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCC2 ZINC000925811024 618624674 /nfs/dbraw/zinc/62/46/74/618624674.db2.gz BQTJVFFLYJINEM-MJBXVCDLSA-N 2 1 305.491 3.032 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cc1 ZINC000925845907 618644536 /nfs/dbraw/zinc/64/45/36/618644536.db2.gz PRRDBDNRIZKEEB-MRXNPFEDSA-N 2 1 321.534 3.135 20 0 DGADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C2CCCCC2)no1 ZINC000893975761 618685734 /nfs/dbraw/zinc/68/57/34/618685734.db2.gz IFEAHBWQFIOZFU-ZDUSSCGKSA-N 2 1 306.454 3.110 20 0 DGADMP COC1CCC(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000894135632 618717984 /nfs/dbraw/zinc/71/79/84/618717984.db2.gz YBHLRBDOTZCTKM-SKINQDTJSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894211163 618731660 /nfs/dbraw/zinc/73/16/60/618731660.db2.gz MVQPZWXRNAXTFK-UHFFFAOYSA-N 2 1 306.822 3.244 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924954950 618748652 /nfs/dbraw/zinc/74/86/52/618748652.db2.gz YILHXZGYVSWXOW-ZIAGYGMSSA-N 2 1 301.438 3.100 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924959833 618749758 /nfs/dbraw/zinc/74/97/58/618749758.db2.gz MHZWOABBTLBXMA-XJKSGUPXSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924959833 618749760 /nfs/dbraw/zinc/74/97/60/618749760.db2.gz MHZWOABBTLBXMA-XJKSGUPXSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc3c2OCO3)C1 ZINC000924960730 618750307 /nfs/dbraw/zinc/75/03/07/618750307.db2.gz RGHWRWIVEPSYCE-HUUCEWRRSA-N 2 1 304.434 3.186 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc3c2OCO3)C1 ZINC000924960730 618750308 /nfs/dbraw/zinc/75/03/08/618750308.db2.gz RGHWRWIVEPSYCE-HUUCEWRRSA-N 2 1 304.434 3.186 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)[C@H]1c1cccs1 ZINC000894287643 618752853 /nfs/dbraw/zinc/75/28/53/618752853.db2.gz IIIKDJXRNSPDCB-BMFZPTHFSA-N 2 1 308.491 3.146 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)[C@H]1c1cccs1 ZINC000894287643 618752856 /nfs/dbraw/zinc/75/28/56/618752856.db2.gz IIIKDJXRNSPDCB-BMFZPTHFSA-N 2 1 308.491 3.146 20 0 DGADMP Oc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000895479328 618789972 /nfs/dbraw/zinc/78/99/72/618789972.db2.gz PDHMHDJIVPUAIN-AWEZNQCLSA-N 2 1 308.853 3.257 20 0 DGADMP Oc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000895479328 618789973 /nfs/dbraw/zinc/78/99/73/618789973.db2.gz PDHMHDJIVPUAIN-AWEZNQCLSA-N 2 1 308.853 3.257 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000895601692 618804537 /nfs/dbraw/zinc/80/45/37/618804537.db2.gz PFPLIWMYGWJYNX-QGZVFWFLSA-N 2 1 315.461 3.094 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000895601692 618804539 /nfs/dbraw/zinc/80/45/39/618804539.db2.gz PFPLIWMYGWJYNX-QGZVFWFLSA-N 2 1 315.461 3.094 20 0 DGADMP CC[N@@H+]1CC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672089 618816220 /nfs/dbraw/zinc/81/62/20/618816220.db2.gz OQJASCQGOSZPSO-SXLOBPIMSA-N 2 1 313.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672089 618816221 /nfs/dbraw/zinc/81/62/21/618816221.db2.gz OQJASCQGOSZPSO-SXLOBPIMSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672089 618816223 /nfs/dbraw/zinc/81/62/23/618816223.db2.gz OQJASCQGOSZPSO-SXLOBPIMSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672089 618816224 /nfs/dbraw/zinc/81/62/24/618816224.db2.gz OQJASCQGOSZPSO-SXLOBPIMSA-N 2 1 313.489 3.038 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc2nccnc2c1 ZINC000895682491 618818627 /nfs/dbraw/zinc/81/86/27/618818627.db2.gz FRDKUNOPPLROGU-UHFFFAOYSA-N 2 1 312.461 3.328 20 0 DGADMP COC(OC)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000895789285 618830897 /nfs/dbraw/zinc/83/08/97/618830897.db2.gz JGZKUTCWRFAYLQ-CQSZACIVSA-N 2 1 314.514 3.263 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N[C@H](CC[NH+](C)C)c3cccnc3)c12 ZINC000895889160 618846171 /nfs/dbraw/zinc/84/61/71/618846171.db2.gz LHWFFDUBWKLVDA-OAHLLOKOSA-N 2 1 324.432 3.020 20 0 DGADMP c1cc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000896233782 618890132 /nfs/dbraw/zinc/89/01/32/618890132.db2.gz WOVJRTKEOYJBMT-XLIONFOSSA-N 2 1 316.408 3.041 20 0 DGADMP c1cc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000896233782 618890136 /nfs/dbraw/zinc/89/01/36/618890136.db2.gz WOVJRTKEOYJBMT-XLIONFOSSA-N 2 1 316.408 3.041 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)nc(C)[nH+]1 ZINC000925226212 619083025 /nfs/dbraw/zinc/08/30/25/619083025.db2.gz ZQYAEZODCJZJBU-LEOMRAHMSA-N 2 1 314.477 3.231 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000897882388 619191226 /nfs/dbraw/zinc/19/12/26/619191226.db2.gz NQVRTNIGCWUJCV-MIGQKNRLSA-N 2 1 306.400 3.427 20 0 DGADMP C[NH+]1CCC(C[N@@H+](Cc2cccs2)Cc2ccncc2)CC1 ZINC000897925125 619195932 /nfs/dbraw/zinc/19/59/32/619195932.db2.gz FPPXVJFXMBRXEI-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298561 619234251 /nfs/dbraw/zinc/23/42/51/619234251.db2.gz OYMVVZRXLPSSDL-KRWDZBQOSA-N 2 1 324.428 3.058 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000927023672 619257933 /nfs/dbraw/zinc/25/79/33/619257933.db2.gz FNCPVPCJPWXABB-YTQUADARSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520465 619284003 /nfs/dbraw/zinc/28/40/03/619284003.db2.gz ZHVREDNCLRVHBL-FUMNGEBKSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924750639 619313561 /nfs/dbraw/zinc/31/35/61/619313561.db2.gz GSXQWGSIUSFCMH-NJAFHUGGSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924750639 619313565 /nfs/dbraw/zinc/31/35/65/619313565.db2.gz GSXQWGSIUSFCMH-NJAFHUGGSA-N 2 1 308.510 3.292 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)C1 ZINC000902321419 619615058 /nfs/dbraw/zinc/61/50/58/619615058.db2.gz VSTFQAZTVCJOGX-HZPDHXFCSA-N 2 1 321.534 3.253 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347931 619619934 /nfs/dbraw/zinc/61/99/34/619619934.db2.gz QPFFVZIGGOLVMD-LJQANCHMSA-N 3 1 317.521 3.395 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347931 619619935 /nfs/dbraw/zinc/61/99/35/619619935.db2.gz QPFFVZIGGOLVMD-LJQANCHMSA-N 2 1 317.521 3.395 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347931 619619938 /nfs/dbraw/zinc/61/99/38/619619938.db2.gz QPFFVZIGGOLVMD-LJQANCHMSA-N 2 1 317.521 3.395 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000902332863 619622144 /nfs/dbraw/zinc/62/21/44/619622144.db2.gz GOARCLPCYYLYJD-LJQANCHMSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902432138 619634916 /nfs/dbraw/zinc/63/49/16/619634916.db2.gz NUZYYFHEVYZVAR-YJBOKZPZSA-N 2 1 304.482 3.084 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902431753 619635020 /nfs/dbraw/zinc/63/50/20/619635020.db2.gz NUZYYFHEVYZVAR-QAPCUYQASA-N 2 1 304.482 3.084 20 0 DGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473139 619637994 /nfs/dbraw/zinc/63/79/94/619637994.db2.gz SBXJUPZFOJVVAL-XABYNWHXSA-N 2 1 310.388 3.092 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1F ZINC000902479037 619639166 /nfs/dbraw/zinc/63/91/66/619639166.db2.gz ZTRBQPCPMCUWOM-PSOLEGPJSA-N 2 1 318.436 3.343 20 0 DGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467929 619641867 /nfs/dbraw/zinc/64/18/67/619641867.db2.gz SBXJUPZFOJVVAL-DDUYRFODSA-N 2 1 310.388 3.092 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC(C)C ZINC000902740676 619665686 /nfs/dbraw/zinc/66/56/86/619665686.db2.gz ZQOZLCGRAZSLIB-LOXVXLSQSA-N 2 1 308.510 3.146 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000902730204 619666747 /nfs/dbraw/zinc/66/67/47/619666747.db2.gz ANQXYLORDITGAM-CQSZACIVSA-N 2 1 316.445 3.059 20 0 DGADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902731926 619667019 /nfs/dbraw/zinc/66/70/19/619667019.db2.gz SQQZXLIDWABBNH-AEFFLSMTSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCCC1 ZINC000902731539 619667098 /nfs/dbraw/zinc/66/70/98/619667098.db2.gz LHYMYBWFNPZJPO-LTFXXXRZSA-N 2 1 306.494 3.044 20 0 DGADMP C([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000902742421 619668809 /nfs/dbraw/zinc/66/88/09/619668809.db2.gz PPSBFDFOWHWURX-NXHRZFHOSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902747983 619669970 /nfs/dbraw/zinc/66/99/70/619669970.db2.gz JQBGVGFDYAJUED-PXRSPZQOSA-N 2 1 306.494 3.044 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902761560 619671758 /nfs/dbraw/zinc/67/17/58/619671758.db2.gz SKFZAFLUYJMOSX-NZSAHSFTSA-N 2 1 308.510 3.293 20 0 DGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793631 619677430 /nfs/dbraw/zinc/67/74/30/619677430.db2.gz LFPIGEWGQAQLOY-XREYTECCSA-N 2 1 306.494 3.044 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793631 619677432 /nfs/dbraw/zinc/67/74/32/619677432.db2.gz LFPIGEWGQAQLOY-XREYTECCSA-N 2 1 306.494 3.044 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000902895835 619689935 /nfs/dbraw/zinc/68/99/35/619689935.db2.gz DGPONWNDQSLVOO-IFXJQAMLSA-N 2 1 300.446 3.170 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903018002 619702147 /nfs/dbraw/zinc/70/21/47/619702147.db2.gz VJUDPBYQJZBSFW-NZSAHSFTSA-N 2 1 308.510 3.293 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055694 619706804 /nfs/dbraw/zinc/70/68/04/619706804.db2.gz JPQJQZDPSYDRDN-WELJNPPOSA-N 3 1 307.526 3.244 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2c(c1)OCO2 ZINC000903067180 619710093 /nfs/dbraw/zinc/71/00/93/619710093.db2.gz NOLNKEXTXZZZEA-IICXIOTHSA-N 2 1 314.429 3.224 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903074896 619711300 /nfs/dbraw/zinc/71/13/00/619711300.db2.gz XKZAFPQZGCWXIH-KXBFYZLASA-N 2 1 320.452 3.225 20 0 DGADMP c1cnn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903083445 619713017 /nfs/dbraw/zinc/71/30/17/619713017.db2.gz HIJQBGIMFQEFAM-JLYLLQBASA-N 2 1 322.456 3.120 20 0 DGADMP Fc1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903083718 619713115 /nfs/dbraw/zinc/71/31/15/619713115.db2.gz MIYZGUFRIUEFQJ-ZNXRZULTSA-N 2 1 318.436 3.342 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Oc1ccc(F)cc1 ZINC000903104366 619717068 /nfs/dbraw/zinc/71/70/68/619717068.db2.gz TXUOMZAQBMBWJX-ZVRJUHEZSA-N 2 1 318.436 3.340 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903093504 619719191 /nfs/dbraw/zinc/71/91/91/619719191.db2.gz RWVBHNDZOWBSBB-UNPWZGGWSA-N 2 1 312.457 3.300 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1C ZINC000903096199 619719537 /nfs/dbraw/zinc/71/95/37/619719537.db2.gz ATXVIQBZHGONIG-AKKLJKOSSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903142024 619725064 /nfs/dbraw/zinc/72/50/64/619725064.db2.gz XBKAGPRVXSOLEJ-PQCNYSFFSA-N 2 1 306.494 3.328 20 0 DGADMP COCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C)o1 ZINC000903147927 619728718 /nfs/dbraw/zinc/72/87/18/619728718.db2.gz UWMMJAICMIUTQB-ONQFOCNCSA-N 2 1 318.461 3.413 20 0 DGADMP COCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903148138 619728826 /nfs/dbraw/zinc/72/88/26/619728826.db2.gz XLGBEORIVIFXEV-YQAQFAQXSA-N 2 1 304.434 3.105 20 0 DGADMP Cc1ccc(F)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903185301 619732475 /nfs/dbraw/zinc/73/24/75/619732475.db2.gz CYQNTWDVKFGTRM-ZNXRZULTSA-N 2 1 302.437 3.424 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC000903199369 619734942 /nfs/dbraw/zinc/73/49/42/619734942.db2.gz BJUSZHCENBJLME-SYKANANRSA-N 2 1 317.521 3.141 20 0 DGADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000903199369 619734946 /nfs/dbraw/zinc/73/49/46/619734946.db2.gz BJUSZHCENBJLME-SYKANANRSA-N 2 1 317.521 3.141 20 0 DGADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000903199369 619734948 /nfs/dbraw/zinc/73/49/48/619734948.db2.gz BJUSZHCENBJLME-SYKANANRSA-N 2 1 317.521 3.141 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC000903199368 619735104 /nfs/dbraw/zinc/73/51/04/619735104.db2.gz BJUSZHCENBJLME-HUBHPDRSSA-N 2 1 317.521 3.141 20 0 DGADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000903199368 619735105 /nfs/dbraw/zinc/73/51/05/619735105.db2.gz BJUSZHCENBJLME-HUBHPDRSSA-N 2 1 317.521 3.141 20 0 DGADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000903199368 619735107 /nfs/dbraw/zinc/73/51/07/619735107.db2.gz BJUSZHCENBJLME-HUBHPDRSSA-N 2 1 317.521 3.141 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000903200952 619735439 /nfs/dbraw/zinc/73/54/39/619735439.db2.gz CVKQQRKZWQNDDS-SJLPKXTDSA-N 2 1 324.472 3.073 20 0 DGADMP OC[C@@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903190738 619737763 /nfs/dbraw/zinc/73/77/63/619737763.db2.gz YWUVAJYYYZSFHC-MHGPCZNRSA-N 2 1 306.494 3.065 20 0 DGADMP Cc1cccc2c1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CO2 ZINC000903206293 619738389 /nfs/dbraw/zinc/73/83/89/619738389.db2.gz QVCLZOHVDPZYCR-WRXVUKFLSA-N 2 1 312.457 3.046 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000903253264 619745304 /nfs/dbraw/zinc/74/53/04/619745304.db2.gz KYYOJKCDKJWTSJ-HQVVEAJESA-N 2 1 302.466 3.174 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCOC13CCCCC3)C2 ZINC000903268858 619749733 /nfs/dbraw/zinc/74/97/33/619749733.db2.gz RQCGUJTYGYJFDA-NXCDMZCRSA-N 2 1 304.478 3.226 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000903391118 619766735 /nfs/dbraw/zinc/76/67/35/619766735.db2.gz SWRUPYFKPLIIOR-UXDRXVOSSA-N 2 1 316.489 3.321 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903460837 619776734 /nfs/dbraw/zinc/77/67/34/619776734.db2.gz JPIDWHORAQIMLV-SQNIBIBYSA-N 2 1 302.462 3.220 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442472 619777301 /nfs/dbraw/zinc/77/73/01/619777301.db2.gz RXJFSKWDCNFOQD-VKJFTORMSA-N 2 1 312.461 3.321 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442660 619777386 /nfs/dbraw/zinc/77/73/86/619777386.db2.gz WPEOTKQRUMGLFT-RVKKMQEKSA-N 2 1 312.461 3.049 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442660 619777390 /nfs/dbraw/zinc/77/73/90/619777390.db2.gz WPEOTKQRUMGLFT-RVKKMQEKSA-N 2 1 312.461 3.049 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903447115 619778196 /nfs/dbraw/zinc/77/81/96/619778196.db2.gz FPEIGEORXDBGEF-HOTGVXAUSA-N 2 1 306.400 3.111 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903453809 619779450 /nfs/dbraw/zinc/77/94/50/619779450.db2.gz MJEMTJYBONEMLN-ULQDDVLXSA-N 2 1 306.400 3.111 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1C(F)(F)F ZINC000903474438 619779989 /nfs/dbraw/zinc/77/99/89/619779989.db2.gz MBOICOXZUOMSKP-KBPBESRZSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1C(F)(F)F ZINC000903474438 619779991 /nfs/dbraw/zinc/77/99/91/619779991.db2.gz MBOICOXZUOMSKP-KBPBESRZSA-N 2 1 311.351 3.127 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903499303 619781396 /nfs/dbraw/zinc/78/13/96/619781396.db2.gz QQKNZGKBYMEIIW-OWYHZJEWSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722657 619803763 /nfs/dbraw/zinc/80/37/63/619803763.db2.gz CRFDIUJCCWPPKD-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903730091 619805391 /nfs/dbraw/zinc/80/53/91/619805391.db2.gz UDOKQHLUBGKWJR-AABGKKOBSA-N 2 1 314.473 3.291 20 0 DGADMP Cc1ccc(C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C(C)C)s1 ZINC000903727778 619805617 /nfs/dbraw/zinc/80/56/17/619805617.db2.gz XFURSKZQGDJUMI-DOTOQJQBSA-N 2 1 308.491 3.036 20 0 DGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732551 619805969 /nfs/dbraw/zinc/80/59/69/619805969.db2.gz FTPVBESYOAZLIT-QRQLOZEOSA-N 2 1 314.473 3.023 20 0 DGADMP c1ccc2oc([C@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903733818 619807873 /nfs/dbraw/zinc/80/78/73/619807873.db2.gz REAGZAYRZCOMMQ-CVEARBPZSA-N 2 1 313.445 3.397 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccc(F)c(Cl)c1 ZINC000903740498 619808277 /nfs/dbraw/zinc/80/82/77/619808277.db2.gz HWLLVUZETIIIEQ-YHWZYXNKSA-N 2 1 312.816 3.202 20 0 DGADMP CCC[N@H+](Cc1ccccc1F)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765304 619809696 /nfs/dbraw/zinc/80/96/96/619809696.db2.gz GJNODDABZFAQBV-KRWDZBQOSA-N 2 1 320.452 3.196 20 0 DGADMP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767600 619810073 /nfs/dbraw/zinc/81/00/73/619810073.db2.gz IQCWDZOJXPWORP-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000903766698 619810126 /nfs/dbraw/zinc/81/01/26/619810126.db2.gz QXZSPKSRFUHUSV-MSOLQXFVSA-N 2 1 306.494 3.047 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000903755297 619810550 /nfs/dbraw/zinc/81/05/50/619810550.db2.gz FBOIYUXGIOPNQU-HIFRSBDPSA-N 2 1 307.507 3.404 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903780866 619812379 /nfs/dbraw/zinc/81/23/79/619812379.db2.gz MVFCHRJFBLJYCD-CABCVRRESA-N 2 1 318.461 3.013 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903780866 619812380 /nfs/dbraw/zinc/81/23/80/619812380.db2.gz MVFCHRJFBLJYCD-CABCVRRESA-N 2 1 318.461 3.013 20 0 DGADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903784190 619813446 /nfs/dbraw/zinc/81/34/46/619813446.db2.gz KYYBLQGJAUDBNU-MOPGFXCFSA-N 2 1 314.473 3.156 20 0 DGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903786659 619813814 /nfs/dbraw/zinc/81/38/14/619813814.db2.gz NNMRKOSWQLZRJY-BTHPGYMESA-N 2 1 314.473 3.023 20 0 DGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903786662 619813993 /nfs/dbraw/zinc/81/39/93/619813993.db2.gz NNMRKOSWQLZRJY-RSPOEFSDSA-N 2 1 314.473 3.023 20 0 DGADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903815868 619814522 /nfs/dbraw/zinc/81/45/22/619814522.db2.gz SZWOIDFRALMSNQ-SFHVURJKSA-N 2 1 315.461 3.129 20 0 DGADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)s1 ZINC000903811816 619817532 /nfs/dbraw/zinc/81/75/32/619817532.db2.gz NTDKQLDUXCMQES-HNNXBMFYSA-N 2 1 322.474 3.018 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)s1 ZINC000903811816 619817533 /nfs/dbraw/zinc/81/75/33/619817533.db2.gz NTDKQLDUXCMQES-HNNXBMFYSA-N 2 1 322.474 3.018 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818309 619822094 /nfs/dbraw/zinc/82/20/94/619822094.db2.gz GERUEVGPBLRDCY-UHFFFAOYSA-N 2 1 302.462 3.155 20 0 DGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000903885089 619828470 /nfs/dbraw/zinc/82/84/70/619828470.db2.gz DCHNOWTXPHYEQQ-IHWFROFDSA-N 2 1 319.537 3.105 20 0 DGADMP C(C1CCCCC1)N1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903885089 619828473 /nfs/dbraw/zinc/82/84/73/619828473.db2.gz DCHNOWTXPHYEQQ-IHWFROFDSA-N 2 1 319.537 3.105 20 0 DGADMP C(C1CCCCC1)N1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903885089 619828477 /nfs/dbraw/zinc/82/84/77/619828477.db2.gz DCHNOWTXPHYEQQ-IHWFROFDSA-N 2 1 319.537 3.105 20 0 DGADMP C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H]([NH3+])CC(F)F ZINC000903884891 619828616 /nfs/dbraw/zinc/82/86/16/619828616.db2.gz BNBSPSCHUQEBPP-GFCCVEGCSA-N 2 1 306.784 3.023 20 0 DGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H]([NH3+])CC(F)F ZINC000903884891 619828617 /nfs/dbraw/zinc/82/86/17/619828617.db2.gz BNBSPSCHUQEBPP-GFCCVEGCSA-N 2 1 306.784 3.023 20 0 DGADMP Clc1ccccc1[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903892504 619829091 /nfs/dbraw/zinc/82/90/91/619829091.db2.gz UCXIZRFQFPOSCQ-KRWWSPQJSA-N 2 1 320.864 3.244 20 0 DGADMP Clc1ccccc1[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903892504 619829093 /nfs/dbraw/zinc/82/90/93/619829093.db2.gz UCXIZRFQFPOSCQ-KRWWSPQJSA-N 2 1 320.864 3.244 20 0 DGADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894688 619829631 /nfs/dbraw/zinc/82/96/31/619829631.db2.gz BLBBLGLWDHLYQF-NXEWRWPSSA-N 2 1 316.489 3.036 20 0 DGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000903895588 619830232 /nfs/dbraw/zinc/83/02/32/619830232.db2.gz OPKNLDJNKPTCRG-AQDPXUSMSA-N 2 1 313.489 3.118 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903912693 619833725 /nfs/dbraw/zinc/83/37/25/619833725.db2.gz HPSDLDFRIDDJTN-QZNYNHHHSA-N 2 1 314.473 3.153 20 0 DGADMP Fc1cccc(Cl)c1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903923627 619834854 /nfs/dbraw/zinc/83/48/54/619834854.db2.gz YSGUGRUOMZLOBB-UHFFFAOYSA-N 2 1 304.796 3.415 20 0 DGADMP CCC[N@H+](Cc1ccc(OC)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935465 619837198 /nfs/dbraw/zinc/83/71/98/619837198.db2.gz QEXYYALABCKLOG-AYHJJNSGSA-N 2 1 302.462 3.438 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000903959479 619839834 /nfs/dbraw/zinc/83/98/34/619839834.db2.gz ISGRYVOCDDJBHW-FQEVSTJZSA-N 2 1 324.472 3.053 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960157 619840097 /nfs/dbraw/zinc/84/00/97/619840097.db2.gz YCEILGOOPNFBCR-QFBILLFUSA-N 2 1 300.446 3.018 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2c1NCC2 ZINC000903947603 619843969 /nfs/dbraw/zinc/84/39/69/619843969.db2.gz CAAJKXNXMFRULQ-UHFFFAOYSA-N 2 1 301.478 3.353 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000903949003 619844356 /nfs/dbraw/zinc/84/43/56/619844356.db2.gz XYVVKEWYZUSRQU-UHFFFAOYSA-N 2 1 316.424 3.023 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000903955571 619846303 /nfs/dbraw/zinc/84/63/03/619846303.db2.gz WBMMLAAWPBJPHZ-MRXNPFEDSA-N 2 1 317.383 3.083 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CCC[NH2+]C1 ZINC000904306820 619911635 /nfs/dbraw/zinc/91/16/35/619911635.db2.gz DSTZNKDCRKBQKY-HNAYVOBHSA-N 2 1 313.445 3.397 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904314057 619912260 /nfs/dbraw/zinc/91/22/60/619912260.db2.gz RCRCUTSUDDNTDK-MJGOQNOKSA-N 2 1 302.462 3.092 20 0 DGADMP COCCCC[N@@H+](Cc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313580 619912358 /nfs/dbraw/zinc/91/23/58/619912358.db2.gz IADFEQFOZJRZBX-IBGZPJMESA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCOc1ccc(F)cc1F ZINC000904363108 619917109 /nfs/dbraw/zinc/91/71/09/619917109.db2.gz BEVLTBIZOVAIDP-ZDUSSCGKSA-N 2 1 300.393 3.087 20 0 DGADMP C[N@H+](Cc1ccccc1OCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904383706 619918756 /nfs/dbraw/zinc/91/87/56/619918756.db2.gz CQTVMUCPNKVXHG-IZAXUBKRSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000904405578 619920080 /nfs/dbraw/zinc/92/00/80/619920080.db2.gz OKFWNKURAZRONO-CHWSQXEVSA-N 2 1 300.368 3.480 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000904411893 619920301 /nfs/dbraw/zinc/92/03/01/619920301.db2.gz PPUMMWVWFWOKJE-JSGCOSHPSA-N 2 1 318.852 3.147 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000904410817 619920499 /nfs/dbraw/zinc/92/04/99/619920499.db2.gz ISMBCWGYEOBGGI-WDEREUQCSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC000904410124 619920715 /nfs/dbraw/zinc/92/07/15/619920715.db2.gz BCQCJDIFYIQQMT-PWSUYJOCSA-N 2 1 318.795 3.358 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000904409934 619920750 /nfs/dbraw/zinc/92/07/50/619920750.db2.gz KULAJYYTFJOIQQ-QGZVFWFLSA-N 2 1 320.440 3.196 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1C[NH3+] ZINC000904412380 619920860 /nfs/dbraw/zinc/92/08/60/619920860.db2.gz UQQYJONEMGPSIX-UKRRQHHQSA-N 2 1 301.459 3.227 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000904420682 619922155 /nfs/dbraw/zinc/92/21/55/619922155.db2.gz DODKEHOISJQUGU-ZWKOTPCHSA-N 2 1 323.440 3.224 20 0 DGADMP Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)ccc1C[NH+](C)C ZINC000909927242 620262125 /nfs/dbraw/zinc/26/21/25/620262125.db2.gz OFGSCRDJRZIZLR-MSOLQXFVSA-N 2 1 315.461 3.012 20 0 DGADMP C[C@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900115 620458222 /nfs/dbraw/zinc/45/82/22/620458222.db2.gz NNOVXDJYKDLLTA-UONOGXRCSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@]1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900115 620458224 /nfs/dbraw/zinc/45/82/24/620458224.db2.gz NNOVXDJYKDLLTA-UONOGXRCSA-N 2 1 305.293 3.378 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCCO2 ZINC000153013518 620530941 /nfs/dbraw/zinc/53/09/41/620530941.db2.gz FRGKXBSWXLJPSV-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852564130 620630120 /nfs/dbraw/zinc/63/01/20/620630120.db2.gz DYHKVGRCZSGJCY-AYBZRNKSSA-N 2 1 312.461 3.224 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921500300 620874821 /nfs/dbraw/zinc/87/48/21/620874821.db2.gz CRGDPXNJRRWWES-RCCFBDPRSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921671903 620930943 /nfs/dbraw/zinc/93/09/43/620930943.db2.gz ZWNRENDFKGHODA-UHFFFAOYSA-N 2 1 305.422 3.135 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921749686 620944405 /nfs/dbraw/zinc/94/44/05/620944405.db2.gz PYIJIHPNAMNLRN-HNNXBMFYSA-N 2 1 311.429 3.102 20 0 DGADMP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000921811141 620953368 /nfs/dbraw/zinc/95/33/68/620953368.db2.gz ZDYHZTRMFWYPLS-IRXDYDNUSA-N 2 1 314.539 3.140 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C2CCCC2)n1 ZINC000921817584 620954914 /nfs/dbraw/zinc/95/49/14/620954914.db2.gz LJBVPBYQUODHKG-DLBZAZTESA-N 2 1 304.482 3.040 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cnn(CC2CCC2)c1)[NH+]1CCCCC1 ZINC000921989595 620977370 /nfs/dbraw/zinc/97/73/70/620977370.db2.gz GCOPKHVNPGQAFH-INIZCTEOSA-N 2 1 304.482 3.037 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2O1 ZINC000922081025 620986540 /nfs/dbraw/zinc/98/65/40/620986540.db2.gz HVIZIXMNGFBZOR-NNGSBXSVSA-N 2 1 300.446 3.117 20 0 DGADMP CC[C@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558948 621004653 /nfs/dbraw/zinc/00/46/53/621004653.db2.gz LZEKWUBWHSCMOG-LPHOPBHVSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558948 621004656 /nfs/dbraw/zinc/00/46/56/621004656.db2.gz LZEKWUBWHSCMOG-LPHOPBHVSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558948 621004659 /nfs/dbraw/zinc/00/46/59/621004659.db2.gz LZEKWUBWHSCMOG-LPHOPBHVSA-N 2 1 319.493 3.421 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000922273326 621016155 /nfs/dbraw/zinc/01/61/55/621016155.db2.gz FHHXSXMYVKPSEW-UHFFFAOYSA-N 2 1 306.822 3.016 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857846847 621122085 /nfs/dbraw/zinc/12/20/85/621122085.db2.gz QHSLCRMPBYNXPU-GOSISDBHSA-N 2 1 312.461 3.419 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857856427 621122844 /nfs/dbraw/zinc/12/28/44/621122844.db2.gz KXISXOAUGFDTDA-KRWDZBQOSA-N 2 1 304.482 3.135 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000857860511 621123959 /nfs/dbraw/zinc/12/39/59/621123959.db2.gz ZEBQJTAXAWOPDN-DAWZGUTISA-N 2 1 316.493 3.420 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC(C)C ZINC000858095221 621152329 /nfs/dbraw/zinc/15/23/29/621152329.db2.gz NDJSYGLUASTWFJ-MRXNPFEDSA-N 2 1 320.477 3.445 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC(C)C ZINC000858095221 621152332 /nfs/dbraw/zinc/15/23/32/621152332.db2.gz NDJSYGLUASTWFJ-MRXNPFEDSA-N 2 1 320.477 3.445 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1(C)C ZINC000858133358 621156323 /nfs/dbraw/zinc/15/63/23/621156323.db2.gz SWUFMWGUWMBNMO-RBUKOAKNSA-N 2 1 312.457 3.336 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)[C@@H]1c1cccs1 ZINC000858145578 621157724 /nfs/dbraw/zinc/15/77/24/621157724.db2.gz YPRBNXNOAUOXLL-WMLDXEAASA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)[C@@H]1c1cccs1 ZINC000858145578 621157729 /nfs/dbraw/zinc/15/77/29/621157729.db2.gz YPRBNXNOAUOXLL-WMLDXEAASA-N 2 1 319.449 3.455 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000858146761 621157907 /nfs/dbraw/zinc/15/79/07/621157907.db2.gz OVJUILWJCIBLCM-MSOLQXFVSA-N 2 1 315.505 3.426 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304737 621174474 /nfs/dbraw/zinc/17/44/74/621174474.db2.gz SXHAPARFDGCGRG-ZFWWWQNUSA-N 2 1 320.864 3.244 20 0 DGADMP C[C@@H]1C[C@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000923323584 621176596 /nfs/dbraw/zinc/17/65/96/621176596.db2.gz USVYJWKRAOPKQD-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000923336577 621176903 /nfs/dbraw/zinc/17/69/03/621176903.db2.gz WJBVLRFZDHGJAA-WFASDCNBSA-N 2 1 317.260 3.101 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923349217 621177685 /nfs/dbraw/zinc/17/76/85/621177685.db2.gz QTDGUSAGHVANMW-ABAIWWIYSA-N 2 1 317.260 3.088 20 0 DGADMP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000923345639 621178467 /nfs/dbraw/zinc/17/84/67/621178467.db2.gz MDYVZMOOIMPGCG-WKPIXPDZSA-N 2 1 317.260 3.086 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000923345639 621178470 /nfs/dbraw/zinc/17/84/70/621178470.db2.gz MDYVZMOOIMPGCG-WKPIXPDZSA-N 2 1 317.260 3.086 20 0 DGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923373946 621179241 /nfs/dbraw/zinc/17/92/41/621179241.db2.gz RBKPTNDTLAKXEZ-RAFMOHDBSA-N 2 1 316.489 3.097 20 0 DGADMP Fc1ccc2c(c1)onc2C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923371885 621179353 /nfs/dbraw/zinc/17/93/53/621179353.db2.gz VUVPSBZKYAXTQG-UHFFFAOYSA-N 2 1 317.408 3.288 20 0 DGADMP c1ccc(N[C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000923370113 621179693 /nfs/dbraw/zinc/17/96/93/621179693.db2.gz BRPLUBWSQWIIME-QZNYNHHHSA-N 2 1 313.489 3.484 20 0 DGADMP CC(C)(C)C(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789353730 625470556 /nfs/dbraw/zinc/47/05/56/625470556.db2.gz WFPQSKVWEKUIMM-UHFFFAOYSA-N 2 1 317.477 3.404 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000923396294 621181340 /nfs/dbraw/zinc/18/13/40/621181340.db2.gz XOSZDWMYGUQTDT-RGPMPMONSA-N 2 1 300.446 3.060 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(C)ccc1C ZINC000858362141 621181454 /nfs/dbraw/zinc/18/14/54/621181454.db2.gz PFBFEGIPZFTUDK-LNLFQRSKSA-N 2 1 302.462 3.207 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(C)ccc1C ZINC000858362141 621181456 /nfs/dbraw/zinc/18/14/56/621181456.db2.gz PFBFEGIPZFTUDK-LNLFQRSKSA-N 2 1 302.462 3.207 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@H]1C(F)(F)F ZINC000923401477 621181858 /nfs/dbraw/zinc/18/18/58/621181858.db2.gz NNXOVGSCHGSQHD-ZIAGYGMSSA-N 2 1 304.400 3.416 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CC3CCC2CC3)C1 ZINC000923392840 621181901 /nfs/dbraw/zinc/18/19/01/621181901.db2.gz LDJNPZYJLBPMRH-QFYCONQBSA-N 2 1 306.494 3.174 20 0 DGADMP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923424935 621183087 /nfs/dbraw/zinc/18/30/87/621183087.db2.gz UXBBAETYLNOYSB-MRXNPFEDSA-N 2 1 313.489 3.044 20 0 DGADMP C[C@H]1Cc2ccccc2N1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923424934 621183280 /nfs/dbraw/zinc/18/32/80/621183280.db2.gz UXBBAETYLNOYSB-INIZCTEOSA-N 2 1 313.489 3.044 20 0 DGADMP Cc1csc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923421302 621183924 /nfs/dbraw/zinc/18/39/24/621183924.db2.gz PIDZPPAHBBGBNR-VIYLOZMYSA-N 2 1 305.491 3.162 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1)C1CCCC1 ZINC000923420132 621183978 /nfs/dbraw/zinc/18/39/78/621183978.db2.gz GQULHHCQKVQVBC-PWIZWCRZSA-N 2 1 316.489 3.340 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(Br)cc2F)CC[C@H]1C[NH3+] ZINC000923502241 621187932 /nfs/dbraw/zinc/18/79/32/621187932.db2.gz ARYIJXXQQIFYMZ-QWRGUYRKSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2F)CC[C@H]1C[NH3+] ZINC000923502241 621187933 /nfs/dbraw/zinc/18/79/33/621187933.db2.gz ARYIJXXQQIFYMZ-QWRGUYRKSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Nc3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923496655 621187992 /nfs/dbraw/zinc/18/79/92/621187992.db2.gz IJZBNAZDUZZINM-ZIAGYGMSSA-N 2 1 316.474 3.303 20 0 DGADMP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000923490685 621188378 /nfs/dbraw/zinc/18/83/78/621188378.db2.gz VQQRVPZEXVKTNA-CQSZACIVSA-N 2 1 314.433 3.031 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501113 621189279 /nfs/dbraw/zinc/18/92/79/621189279.db2.gz YYXXYAFDQKBXMU-TZMCWYRMSA-N 2 1 319.449 3.366 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517987 621191208 /nfs/dbraw/zinc/19/12/08/621191208.db2.gz IFUBASBYKLGLCI-LSDHHAIUSA-N 2 1 312.379 3.179 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858491144 621197811 /nfs/dbraw/zinc/19/78/11/621197811.db2.gz YWLRETHETUUEEO-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202798 621351753 /nfs/dbraw/zinc/35/17/53/621351753.db2.gz OSLHBIOFSYNFCB-HNNXBMFYSA-N 2 1 323.868 3.063 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202798 621351756 /nfs/dbraw/zinc/35/17/56/621351756.db2.gz OSLHBIOFSYNFCB-HNNXBMFYSA-N 2 1 323.868 3.063 20 0 DGADMP Cc1ccc(-c2cnn(C[N@@H+](C)CC3CC[NH+](C)CC3)c2)cc1 ZINC000103461926 621378741 /nfs/dbraw/zinc/37/87/41/621378741.db2.gz RXCCHUIYJJTLIV-UHFFFAOYSA-N 2 1 312.461 3.090 20 0 DGADMP Cc1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862351519 621576520 /nfs/dbraw/zinc/57/65/20/621576520.db2.gz PFQGAGSWVDCVQZ-KRWDZBQOSA-N 2 1 313.420 3.141 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544182 621682607 /nfs/dbraw/zinc/68/26/07/621682607.db2.gz MXPUANVPGWMSOC-IBGZPJMESA-N 2 1 301.478 3.343 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544182 621682609 /nfs/dbraw/zinc/68/26/09/621682609.db2.gz MXPUANVPGWMSOC-IBGZPJMESA-N 2 1 301.478 3.343 20 0 DGADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CCCCCCC[NH3+])C2 ZINC000863547327 621683221 /nfs/dbraw/zinc/68/32/21/621683221.db2.gz JFEPPGAUTLXTHQ-UHFFFAOYSA-N 2 1 304.482 3.041 20 0 DGADMP C[NH+](C)Cc1ccc(-c2cccc(CN3CCC([NH3+])CC3)c2)cc1 ZINC000863691357 621701346 /nfs/dbraw/zinc/70/13/46/621701346.db2.gz AZQBHKMPKADWIW-UHFFFAOYSA-N 2 1 323.484 3.338 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000757651063 621731164 /nfs/dbraw/zinc/73/11/64/621731164.db2.gz BSISBMRWBFCJRE-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000757651063 621731167 /nfs/dbraw/zinc/73/11/67/621731167.db2.gz BSISBMRWBFCJRE-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000864055569 621733081 /nfs/dbraw/zinc/73/30/81/621733081.db2.gz SRWPNRFZTRDJBL-LLVKDONJSA-N 2 1 317.296 3.378 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000864090133 621735620 /nfs/dbraw/zinc/73/56/20/621735620.db2.gz AMWMBAGLHSPCGY-LLVKDONJSA-N 2 1 301.356 3.055 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000865448273 621923838 /nfs/dbraw/zinc/92/38/38/621923838.db2.gz DKJGEXZOELDDRC-GFCCVEGCSA-N 2 1 306.479 3.371 20 0 DGADMP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000865468557 621927837 /nfs/dbraw/zinc/92/78/37/621927837.db2.gz IOWBTNQDCIXPJD-HNNXBMFYSA-N 2 1 322.880 3.239 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865641376 621969442 /nfs/dbraw/zinc/96/94/42/621969442.db2.gz WQFDBDIRQDPYPC-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865641376 621969443 /nfs/dbraw/zinc/96/94/43/621969443.db2.gz WQFDBDIRQDPYPC-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866243296 622074630 /nfs/dbraw/zinc/07/46/30/622074630.db2.gz XRLNBEGRIARESI-LIRRHRJNSA-N 2 1 320.452 3.150 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263553 622079032 /nfs/dbraw/zinc/07/90/32/622079032.db2.gz QGKISIFCIUOFLY-RYUDHWBXSA-N 2 1 307.825 3.474 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263553 622079037 /nfs/dbraw/zinc/07/90/37/622079037.db2.gz QGKISIFCIUOFLY-RYUDHWBXSA-N 2 1 307.825 3.474 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000866300140 622088257 /nfs/dbraw/zinc/08/82/57/622088257.db2.gz SNSMNYJOKSGUCJ-SCTDSRPQSA-N 2 1 319.493 3.258 20 0 DGADMP CCOc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000762648948 622089499 /nfs/dbraw/zinc/08/94/99/622089499.db2.gz KEOQUTIPROXRHT-DLBZAZTESA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000762648948 622089501 /nfs/dbraw/zinc/08/95/01/622089501.db2.gz KEOQUTIPROXRHT-DLBZAZTESA-N 2 1 320.477 3.237 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC[N@@H+]1C ZINC000866607834 622145678 /nfs/dbraw/zinc/14/56/78/622145678.db2.gz HHWMPYBSBRNTLK-MNEFBYGVSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC[N@H+]1C ZINC000866607834 622145682 /nfs/dbraw/zinc/14/56/82/622145682.db2.gz HHWMPYBSBRNTLK-MNEFBYGVSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccnn1C ZINC000866613791 622147324 /nfs/dbraw/zinc/14/73/24/622147324.db2.gz WBADXGCGCPOOFN-INMHGKMJSA-N 2 1 304.482 3.114 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866635515 622151275 /nfs/dbraw/zinc/15/12/75/622151275.db2.gz RDEJVHXZOHAUBE-RNIPGJKVSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000866659522 622153959 /nfs/dbraw/zinc/15/39/59/622153959.db2.gz MSHUNUGQSXOOFX-STQMWFEESA-N 2 1 323.868 3.035 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000866704147 622157963 /nfs/dbraw/zinc/15/79/63/622157963.db2.gz MIBCETTTZHSADJ-KRWDZBQOSA-N 2 1 312.404 3.485 20 0 DGADMP C(C1CCCCC1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000765040570 622241505 /nfs/dbraw/zinc/24/15/05/622241505.db2.gz XRWXRWGEJVECCV-UXHICEINSA-N 2 1 319.537 3.248 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765404357 622263431 /nfs/dbraw/zinc/26/34/31/622263431.db2.gz DPXDGTHRVVSPFW-QKLQHJQFSA-N 2 1 316.489 3.461 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000765796549 622287738 /nfs/dbraw/zinc/28/77/38/622287738.db2.gz MIYFMHFMHVZCAH-AQNXPRMDSA-N 2 1 316.489 3.015 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000765796549 622287741 /nfs/dbraw/zinc/28/77/41/622287741.db2.gz MIYFMHFMHVZCAH-AQNXPRMDSA-N 2 1 316.489 3.015 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1c1ccccc1 ZINC000766330738 622321994 /nfs/dbraw/zinc/32/19/94/622321994.db2.gz XJACRHIOALUGIF-ZSYWTGECSA-N 2 1 314.473 3.022 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1c1ccccc1 ZINC000766330738 622321997 /nfs/dbraw/zinc/32/19/97/622321997.db2.gz XJACRHIOALUGIF-ZSYWTGECSA-N 2 1 314.473 3.022 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](C)C1 ZINC000766514533 622335761 /nfs/dbraw/zinc/33/57/61/622335761.db2.gz YKZQSBGZHYEOCT-RGVPCPSESA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](C)C1 ZINC000766514533 622335763 /nfs/dbraw/zinc/33/57/63/622335763.db2.gz YKZQSBGZHYEOCT-RGVPCPSESA-N 2 1 307.526 3.103 20 0 DGADMP Cc1ccc(N2CC[N@H+](CC[C@H]3CCC[NH+]3C)[C@@H](C)C2)cc1C ZINC000767416931 622397224 /nfs/dbraw/zinc/39/72/24/622397224.db2.gz ZIUYXRHZOKGSLX-RBUKOAKNSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[N@@H+](CC[C@H]3CCC[NH+]3C)[C@@H](C)C2)cc1C ZINC000767416931 622397229 /nfs/dbraw/zinc/39/72/29/622397229.db2.gz ZIUYXRHZOKGSLX-RBUKOAKNSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)[C@@H](C)C2)cc1C ZINC000767416931 622397233 /nfs/dbraw/zinc/39/72/33/622397233.db2.gz ZIUYXRHZOKGSLX-RBUKOAKNSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)[C@@H](C)C2)cc1C ZINC000767416931 622397237 /nfs/dbraw/zinc/39/72/37/622397237.db2.gz ZIUYXRHZOKGSLX-RBUKOAKNSA-N 2 1 315.505 3.298 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000768236699 622447293 /nfs/dbraw/zinc/44/72/93/622447293.db2.gz IIGWOODNWRPIBD-UHFFFAOYSA-N 2 1 303.837 3.429 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000881805742 625567340 /nfs/dbraw/zinc/56/73/40/625567340.db2.gz QPNGZZQZCLJTFF-QGZVFWFLSA-N 2 1 317.477 3.434 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2cc1C ZINC000768503889 622460744 /nfs/dbraw/zinc/46/07/44/622460744.db2.gz TZNWYMBYQCLNBD-SJLPKXTDSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2cc1C ZINC000768503889 622460745 /nfs/dbraw/zinc/46/07/45/622460745.db2.gz TZNWYMBYQCLNBD-SJLPKXTDSA-N 2 1 312.461 3.027 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000768545728 622463671 /nfs/dbraw/zinc/46/36/71/622463671.db2.gz CIMOZOWWVOBBND-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000768545728 622463673 /nfs/dbraw/zinc/46/36/73/622463673.db2.gz CIMOZOWWVOBBND-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000768545728 622463675 /nfs/dbraw/zinc/46/36/75/622463675.db2.gz CIMOZOWWVOBBND-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768545728 622463677 /nfs/dbraw/zinc/46/36/77/622463677.db2.gz CIMOZOWWVOBBND-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1c1ccccc1 ZINC000123179836 622479206 /nfs/dbraw/zinc/47/92/06/622479206.db2.gz XJACRHIOALUGIF-AKHDSKFASA-N 2 1 314.473 3.022 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1c1ccccc1 ZINC000123179836 622479208 /nfs/dbraw/zinc/47/92/08/622479208.db2.gz XJACRHIOALUGIF-AKHDSKFASA-N 2 1 314.473 3.022 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000769381459 622522609 /nfs/dbraw/zinc/52/26/09/622522609.db2.gz OMJBRVDHPSKPDK-UHFFFAOYSA-N 2 1 311.473 3.316 20 0 DGADMP Cc1c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000769402973 622525069 /nfs/dbraw/zinc/52/50/69/622525069.db2.gz AWTDNBLHZYLXBC-CQSZACIVSA-N 2 1 318.490 3.000 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000769402973 622525072 /nfs/dbraw/zinc/52/50/72/622525072.db2.gz AWTDNBLHZYLXBC-CQSZACIVSA-N 2 1 318.490 3.000 20 0 DGADMP C[NH+](C)C1(C)CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000871359674 622608345 /nfs/dbraw/zinc/60/83/45/622608345.db2.gz PJDLTNKZRUVSMM-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888573093 622618557 /nfs/dbraw/zinc/61/85/57/622618557.db2.gz AQMFUZCQISMQBK-AWEZNQCLSA-N 2 1 318.465 3.177 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000872036380 622766433 /nfs/dbraw/zinc/76/64/33/622766433.db2.gz USOZWLLFFXXERQ-CGTJXYLNSA-N 2 1 308.510 3.434 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1C(F)(F)F ZINC000872150132 622833879 /nfs/dbraw/zinc/83/38/79/622833879.db2.gz TXMNBHGLVZZUPT-SQWLQELKSA-N 2 1 312.379 3.176 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000872151771 622835022 /nfs/dbraw/zinc/83/50/22/622835022.db2.gz MOIIHKJDMHTHNL-UKRRQHHQSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000872151771 622835028 /nfs/dbraw/zinc/83/50/28/622835028.db2.gz MOIIHKJDMHTHNL-UKRRQHHQSA-N 2 1 323.362 3.112 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1coc(-c2cccc(F)c2)n1 ZINC000872154771 622835442 /nfs/dbraw/zinc/83/54/42/622835442.db2.gz AHSOHTAHFAXMNY-UHFFFAOYSA-N 2 1 305.397 3.432 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1ccccc1Cl ZINC000872155619 622837012 /nfs/dbraw/zinc/83/70/12/622837012.db2.gz WORQAVFAOPEGHL-UHFFFAOYSA-N 2 1 311.857 3.120 20 0 DGADMP CC(C)c1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157733 622838525 /nfs/dbraw/zinc/83/85/25/622838525.db2.gz QGFPBMSAVPMRTP-GOEBONIOSA-N 2 1 320.481 3.313 20 0 DGADMP CC(C)c1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157733 622838529 /nfs/dbraw/zinc/83/85/29/622838529.db2.gz QGFPBMSAVPMRTP-GOEBONIOSA-N 2 1 320.481 3.313 20 0 DGADMP Cc1noc(C)c1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157367 622838884 /nfs/dbraw/zinc/83/88/84/622838884.db2.gz LYNSGFTWHDYCRM-CRAIPNDOSA-N 2 1 305.466 3.411 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281536 622880745 /nfs/dbraw/zinc/88/07/45/622880745.db2.gz UGGUQYLGQOCKEY-SFHVURJKSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281536 622880752 /nfs/dbraw/zinc/88/07/52/622880752.db2.gz UGGUQYLGQOCKEY-SFHVURJKSA-N 2 1 305.466 3.395 20 0 DGADMP CCOc1cccc(F)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000873042826 623023704 /nfs/dbraw/zinc/02/37/04/623023704.db2.gz JTPXRALLDYGPRB-ZDUSSCGKSA-N 2 1 305.397 3.155 20 0 DGADMP Cc1cnc(C(C)(C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)s1 ZINC000873207086 623074691 /nfs/dbraw/zinc/07/46/91/623074691.db2.gz PWUDNORZMNHUOH-UHFFFAOYSA-N 2 1 307.488 3.184 20 0 DGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211323 623075645 /nfs/dbraw/zinc/07/56/45/623075645.db2.gz YNIAGDDKINAGDM-SKDRFNHKSA-N 2 1 304.381 3.167 20 0 DGADMP c1sc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)nc1C1CC1 ZINC000873212120 623076823 /nfs/dbraw/zinc/07/68/23/623076823.db2.gz HJBJPEAUHXJUEL-UHFFFAOYSA-N 2 1 305.472 3.018 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873223716 623081139 /nfs/dbraw/zinc/08/11/39/623081139.db2.gz RGJUWHURLWJGHL-IBGZPJMESA-N 2 1 320.477 3.291 20 0 DGADMP CCSc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228455 623082944 /nfs/dbraw/zinc/08/29/44/623082944.db2.gz SALUMPYUYQTTOU-GXTWGEPZSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228455 623082949 /nfs/dbraw/zinc/08/29/49/623082949.db2.gz SALUMPYUYQTTOU-GXTWGEPZSA-N 2 1 318.408 3.368 20 0 DGADMP CCn1nccc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232253 623084718 /nfs/dbraw/zinc/08/47/18/623084718.db2.gz NTMQUQYSWOZOTE-CRAIPNDOSA-N 2 1 304.482 3.023 20 0 DGADMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])c(-c2cccs2)n1 ZINC000873231925 623085145 /nfs/dbraw/zinc/08/51/45/623085145.db2.gz ZLSICKWNKMUDQQ-UHFFFAOYSA-N 2 1 306.479 3.100 20 0 DGADMP Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232818 623085535 /nfs/dbraw/zinc/08/55/35/623085535.db2.gz YYUCZGIHNLJTQD-CJNGLKHVSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232818 623085541 /nfs/dbraw/zinc/08/55/41/623085541.db2.gz YYUCZGIHNLJTQD-CJNGLKHVSA-N 2 1 324.900 3.193 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000873240542 623087569 /nfs/dbraw/zinc/08/75/69/623087569.db2.gz BBNDWDGHJKHONO-XLIONFOSSA-N 2 1 317.521 3.045 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259922 623095250 /nfs/dbraw/zinc/09/52/50/623095250.db2.gz OPPYTFCBKOREOC-WQCNXYOZSA-N 3 1 324.472 3.362 20 0 DGADMP Fc1ccc2c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)noc2c1 ZINC000873274653 623100944 /nfs/dbraw/zinc/10/09/44/623100944.db2.gz FMDSUIGFXFHDOX-NUEKZKHPSA-N 2 1 317.408 3.367 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000873281774 623102727 /nfs/dbraw/zinc/10/27/27/623102727.db2.gz AZLCCOCSMXMWBL-ZJUUUORDSA-N 2 1 307.747 3.113 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000873281773 623102974 /nfs/dbraw/zinc/10/29/74/623102974.db2.gz AZLCCOCSMXMWBL-VHSXEESVSA-N 2 1 307.747 3.113 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000774119224 623109147 /nfs/dbraw/zinc/10/91/47/623109147.db2.gz ZKXXUVNJLNVKPN-AYHJJNSGSA-N 2 1 302.462 3.231 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCOC2CCC2)C3)cc1 ZINC000774300551 623128947 /nfs/dbraw/zinc/12/89/47/623128947.db2.gz MKJCFBXZASAGML-REPLKXPHSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000774368524 623137092 /nfs/dbraw/zinc/13/70/92/623137092.db2.gz PZFQXMRAYDEBQG-YSTOQKLRSA-N 2 1 312.457 3.464 20 0 DGADMP C[C@H](SC[C@@H]1CC[NH+](C)C1)[C@H](C)SC[C@@H]1CC[N@@H+](C)C1 ZINC000790284124 625627911 /nfs/dbraw/zinc/62/79/11/625627911.db2.gz ULYPEYRDBRYRHC-CAOSSQGBSA-N 2 1 316.580 3.133 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000775004116 623215421 /nfs/dbraw/zinc/21/54/21/623215421.db2.gz BDQACGJIBOKVFP-DOMZBBRYSA-N 2 1 311.267 3.330 20 0 DGADMP CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000775374270 623261506 /nfs/dbraw/zinc/26/15/06/623261506.db2.gz ABUHXKZMIYNIBW-GOSISDBHSA-N 2 1 318.505 3.266 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775523567 623284032 /nfs/dbraw/zinc/28/40/32/623284032.db2.gz LDOMESUPACMSJK-WBVHZDCISA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523567 623284035 /nfs/dbraw/zinc/28/40/35/623284035.db2.gz LDOMESUPACMSJK-WBVHZDCISA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775523566 623284260 /nfs/dbraw/zinc/28/42/60/623284260.db2.gz LDOMESUPACMSJK-RDJZCZTQSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523566 623284262 /nfs/dbraw/zinc/28/42/62/623284262.db2.gz LDOMESUPACMSJK-RDJZCZTQSA-N 2 1 313.420 3.221 20 0 DGADMP C[N@@H+](Cc1cnc2c(F)cccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000876595816 623655806 /nfs/dbraw/zinc/65/58/06/623655806.db2.gz ADLCMNHBRZDUHC-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[N@H+](Cc1cnc2c(F)cccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000876595816 623655808 /nfs/dbraw/zinc/65/58/08/623655808.db2.gz ADLCMNHBRZDUHC-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cnc2c(F)cccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000876595816 623655812 /nfs/dbraw/zinc/65/58/12/623655812.db2.gz ADLCMNHBRZDUHC-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cnc2c(F)cccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876595816 623655813 /nfs/dbraw/zinc/65/58/13/623655813.db2.gz ADLCMNHBRZDUHC-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000779154357 623735370 /nfs/dbraw/zinc/73/53/70/623735370.db2.gz RKFZELYKYKUZFD-UHFFFAOYSA-N 2 1 305.441 3.309 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000876926901 623745875 /nfs/dbraw/zinc/74/58/75/623745875.db2.gz KBZULIRNECJIAH-SIFCLUCFSA-N 2 1 304.415 3.173 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877027162 623769103 /nfs/dbraw/zinc/76/91/03/623769103.db2.gz KFKKSVYSOLGAQY-NEWSRXKRSA-N 2 1 302.462 3.105 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877027162 623769105 /nfs/dbraw/zinc/76/91/05/623769105.db2.gz KFKKSVYSOLGAQY-NEWSRXKRSA-N 2 1 302.462 3.105 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877073762 623784375 /nfs/dbraw/zinc/78/43/75/623784375.db2.gz RVUNAMPSVXPRRM-UKRRQHHQSA-N 2 1 319.399 3.475 20 0 DGADMP CSC(C)(C)CC[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000877155083 623810077 /nfs/dbraw/zinc/81/00/77/623810077.db2.gz BFNDLOWCEYXTMY-UHFFFAOYSA-N 2 1 322.522 3.184 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000877458345 623892159 /nfs/dbraw/zinc/89/21/59/623892159.db2.gz QAAHIXDVRYIYQW-UHFFFAOYSA-N 2 1 306.425 3.285 20 0 DGADMP CO[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000877547054 623936209 /nfs/dbraw/zinc/93/62/09/623936209.db2.gz PPVIKCTWZSXOBE-UXDRXVOSSA-N 2 1 302.462 3.197 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551456 623938365 /nfs/dbraw/zinc/93/83/65/623938365.db2.gz AGNHYGKZSMBUBW-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551456 623938368 /nfs/dbraw/zinc/93/83/68/623938368.db2.gz AGNHYGKZSMBUBW-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551456 623938372 /nfs/dbraw/zinc/93/83/72/623938372.db2.gz AGNHYGKZSMBUBW-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551456 623938375 /nfs/dbraw/zinc/93/83/75/623938375.db2.gz AGNHYGKZSMBUBW-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000877584851 623951792 /nfs/dbraw/zinc/95/17/92/623951792.db2.gz JUGMJHYCFFHNLD-AVYPCKFXSA-N 2 1 304.415 3.031 20 0 DGADMP CSC(C)(C)CC[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000877606891 623959985 /nfs/dbraw/zinc/95/99/85/623959985.db2.gz NZOCXWNOYRUENM-SJORKVTESA-N 2 1 306.519 3.453 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000877653893 623979118 /nfs/dbraw/zinc/97/91/18/623979118.db2.gz QZDSAUZYFORODX-AVYPCKFXSA-N 2 1 304.415 3.031 20 0 DGADMP COCC[N@@H+](C/C=C/c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000877664176 623982577 /nfs/dbraw/zinc/98/25/77/623982577.db2.gz JAGNBJQIXBXFEZ-ONEGZZNKSA-N 2 1 320.452 3.129 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000877665607 623983959 /nfs/dbraw/zinc/98/39/59/623983959.db2.gz CGZXISKOHFBHFC-AKBUMOGYSA-N 2 1 308.416 3.388 20 0 DGADMP COCC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)CC1CC[NH+](C)CC1 ZINC000877665323 623984250 /nfs/dbraw/zinc/98/42/50/623984250.db2.gz QWBNLTUVSDMVIX-CRAIPNDOSA-N 2 1 320.477 3.193 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742809 624014732 /nfs/dbraw/zinc/01/47/32/624014732.db2.gz REGZPFUABCUEFE-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742809 624014736 /nfs/dbraw/zinc/01/47/36/624014736.db2.gz REGZPFUABCUEFE-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742809 624014741 /nfs/dbraw/zinc/01/47/41/624014741.db2.gz REGZPFUABCUEFE-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742809 624014747 /nfs/dbraw/zinc/01/47/47/624014747.db2.gz REGZPFUABCUEFE-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744089 624016174 /nfs/dbraw/zinc/01/61/74/624016174.db2.gz ZRULOZJHUVDUAZ-HKUYNNGSSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744089 624016178 /nfs/dbraw/zinc/01/61/78/624016178.db2.gz ZRULOZJHUVDUAZ-HKUYNNGSSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc2ccccc21 ZINC000877744089 624016198 /nfs/dbraw/zinc/01/61/98/624016198.db2.gz ZRULOZJHUVDUAZ-HKUYNNGSSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc2ccccc21 ZINC000877744089 624016202 /nfs/dbraw/zinc/01/62/02/624016202.db2.gz ZRULOZJHUVDUAZ-HKUYNNGSSA-N 2 1 310.441 3.374 20 0 DGADMP CC(C)C[N@H+](Cc1ccnn1C(C)C)CC1CC[NH+](C)CC1 ZINC000877767382 624028484 /nfs/dbraw/zinc/02/84/84/624028484.db2.gz GQZWHXGWVXDHOS-UHFFFAOYSA-N 2 1 306.498 3.264 20 0 DGADMP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1Cl ZINC000877968183 624115253 /nfs/dbraw/zinc/11/52/53/624115253.db2.gz KHIRYNNVXJVHPO-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCCCC2 ZINC000782184014 624216257 /nfs/dbraw/zinc/21/62/57/624216257.db2.gz PQSLEFKVVRMIRP-ZWKOTPCHSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878236411 624223508 /nfs/dbraw/zinc/22/35/08/624223508.db2.gz XBMCTQWRJJVKKT-RTBURBONSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CC(C)(C)C ZINC000878302169 624239847 /nfs/dbraw/zinc/23/98/47/624239847.db2.gz IQMSCHDDLVLPQY-HTUJPFKRSA-N 2 1 321.553 3.302 20 0 DGADMP C[C@]1(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000878747042 624352115 /nfs/dbraw/zinc/35/21/15/624352115.db2.gz GPYKCOMGNNAQGJ-CQSZACIVSA-N 2 1 314.260 3.178 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000879210230 624452159 /nfs/dbraw/zinc/45/21/59/624452159.db2.gz WYZMGMZSQHJCMD-OKZBNKHCSA-N 2 1 306.494 3.284 20 0 DGADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879568729 624593777 /nfs/dbraw/zinc/59/37/77/624593777.db2.gz CMGLTURAJGEAGR-IEBWSBKVSA-N 2 1 302.462 3.098 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569987 624594660 /nfs/dbraw/zinc/59/46/60/624594660.db2.gz CZFWSADHWVGSEP-PKOBYXMFSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569987 624594663 /nfs/dbraw/zinc/59/46/63/624594663.db2.gz CZFWSADHWVGSEP-PKOBYXMFSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569987 624594666 /nfs/dbraw/zinc/59/46/66/624594666.db2.gz CZFWSADHWVGSEP-PKOBYXMFSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569987 624594670 /nfs/dbraw/zinc/59/46/70/624594670.db2.gz CZFWSADHWVGSEP-PKOBYXMFSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000879569987 624594675 /nfs/dbraw/zinc/59/46/75/624594675.db2.gz CZFWSADHWVGSEP-PKOBYXMFSA-N 2 1 310.441 3.245 20 0 DGADMP Cc1ccc(-c2cc(CN3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568842 624594918 /nfs/dbraw/zinc/59/49/18/624594918.db2.gz DHFAZBYAEIOZRR-QFBILLFUSA-N 2 1 311.429 3.176 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573900 624596157 /nfs/dbraw/zinc/59/61/57/624596157.db2.gz UGVLZIQGNFUWNJ-MSOLQXFVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573900 624596159 /nfs/dbraw/zinc/59/61/59/624596159.db2.gz UGVLZIQGNFUWNJ-MSOLQXFVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573900 624596164 /nfs/dbraw/zinc/59/61/64/624596164.db2.gz UGVLZIQGNFUWNJ-MSOLQXFVSA-N 2 1 302.462 3.098 20 0 DGADMP C[C@H](CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580756 624598828 /nfs/dbraw/zinc/59/88/28/624598828.db2.gz JWTNEOWHRAVYPB-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580756 624598837 /nfs/dbraw/zinc/59/88/37/624598837.db2.gz JWTNEOWHRAVYPB-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OCc1ccccc1 ZINC000879580756 624598843 /nfs/dbraw/zinc/59/88/43/624598843.db2.gz JWTNEOWHRAVYPB-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OCc1ccccc1 ZINC000879580756 624598847 /nfs/dbraw/zinc/59/88/47/624598847.db2.gz JWTNEOWHRAVYPB-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000879948056 624729274 /nfs/dbraw/zinc/72/92/74/624729274.db2.gz STHCTBKVLCWXSH-SFHVURJKSA-N 2 1 302.462 3.060 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000879950776 624730063 /nfs/dbraw/zinc/73/00/63/624730063.db2.gz BVUUFKAQSRFPRE-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1csc([C@@H]2CC[N@@H+](CCCCn3ccnc3C)C2)n1 ZINC000880010323 624752477 /nfs/dbraw/zinc/75/24/77/624752477.db2.gz XNKWBGYTLCCNOU-OAHLLOKOSA-N 2 1 304.463 3.226 20 0 DGADMP Cc1csc([C@@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000880010323 624752478 /nfs/dbraw/zinc/75/24/78/624752478.db2.gz XNKWBGYTLCCNOU-OAHLLOKOSA-N 2 1 304.463 3.226 20 0 DGADMP Cc1csc([C@@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000880010323 624752479 /nfs/dbraw/zinc/75/24/79/624752479.db2.gz XNKWBGYTLCCNOU-OAHLLOKOSA-N 2 1 304.463 3.226 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880098838 624786594 /nfs/dbraw/zinc/78/65/94/624786594.db2.gz VIZKNGBKQFFPLC-YPMHNXCESA-N 2 1 301.356 3.235 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880098838 624786598 /nfs/dbraw/zinc/78/65/98/624786598.db2.gz VIZKNGBKQFFPLC-YPMHNXCESA-N 2 1 301.356 3.235 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000880255339 624871683 /nfs/dbraw/zinc/87/16/83/624871683.db2.gz ITXSUXNDNBEKGL-LJQANCHMSA-N 2 1 316.489 3.451 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473785 624964234 /nfs/dbraw/zinc/96/42/34/624964234.db2.gz OGGBOIRHPGFBIW-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000880475257 624964677 /nfs/dbraw/zinc/96/46/77/624964677.db2.gz SSGFLNZMVUYXEH-FQEVSTJZSA-N 2 1 324.468 3.433 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788485543 625195860 /nfs/dbraw/zinc/19/58/60/625195860.db2.gz MENZWHRZXZRZCQ-SFHVURJKSA-N 2 1 312.461 3.052 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595715 625224070 /nfs/dbraw/zinc/22/40/70/625224070.db2.gz VCILGKLEPMKPQJ-UKRRQHHQSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595715 625224073 /nfs/dbraw/zinc/22/40/73/625224073.db2.gz VCILGKLEPMKPQJ-UKRRQHHQSA-N 2 1 307.869 3.432 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882892052 625848338 /nfs/dbraw/zinc/84/83/38/625848338.db2.gz LONXPUIIKVYQKZ-CQSZACIVSA-N 2 1 318.417 3.130 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883188532 625962439 /nfs/dbraw/zinc/96/24/39/625962439.db2.gz LQVQZXTUTBWCGN-BEFAXECRSA-N 2 1 320.452 3.225 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@H](C)C1 ZINC000883190181 625963642 /nfs/dbraw/zinc/96/36/42/625963642.db2.gz WZDWQENNIHFZLE-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000796746104 626078382 /nfs/dbraw/zinc/07/83/82/626078382.db2.gz PPRWETSDIFRZBZ-AABGKKOBSA-N 3 1 321.553 3.495 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000796746104 626078385 /nfs/dbraw/zinc/07/83/85/626078385.db2.gz PPRWETSDIFRZBZ-AABGKKOBSA-N 2 1 321.553 3.495 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936197 626261206 /nfs/dbraw/zinc/26/12/06/626261206.db2.gz ZOVXYXKBNINDOL-HNAYVOBHSA-N 2 1 312.461 3.281 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936197 626261211 /nfs/dbraw/zinc/26/12/11/626261211.db2.gz ZOVXYXKBNINDOL-HNAYVOBHSA-N 2 1 312.461 3.281 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000798934571 626261258 /nfs/dbraw/zinc/26/12/58/626261258.db2.gz DFBXFINGEZSYHC-DFQSSKMNSA-N 2 1 316.489 3.303 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3scnc3C3CC3)C2)CC1 ZINC000798957413 626262380 /nfs/dbraw/zinc/26/23/80/626262380.db2.gz WFUDRWFFECBUKP-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP COc1cccc2cc(C[N@H+](C)CCC[NH+]3CCCC3)oc21 ZINC000798958123 626262661 /nfs/dbraw/zinc/26/26/61/626262661.db2.gz NNWMKSPHICJSAK-UHFFFAOYSA-N 2 1 302.418 3.359 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)oc21 ZINC000798958123 626262663 /nfs/dbraw/zinc/26/26/63/626262663.db2.gz NNWMKSPHICJSAK-UHFFFAOYSA-N 2 1 302.418 3.359 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177044 626277762 /nfs/dbraw/zinc/27/77/62/626277762.db2.gz HEKLSORFCQNMPV-UHFFFAOYSA-N 2 1 302.462 3.182 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)CC1 ZINC000799178215 626278059 /nfs/dbraw/zinc/27/80/59/626278059.db2.gz PTQBVMWGEFSCJI-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)CC1 ZINC000799178215 626278063 /nfs/dbraw/zinc/27/80/63/626278063.db2.gz PTQBVMWGEFSCJI-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP CCSc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000883245753 626622500 /nfs/dbraw/zinc/62/25/00/626622500.db2.gz QUEPJGYQGRLXDT-KRWDZBQOSA-N 2 1 320.502 3.142 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC3CC3)CC2)[C@@H](C)C1 ZINC000883253291 626624746 /nfs/dbraw/zinc/62/47/46/626624746.db2.gz NWQAUXOTXLKKKJ-WMZOPIPTSA-N 2 1 308.510 3.293 20 0 DGADMP COc1ccc(C2CC2)cc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883265510 626629231 /nfs/dbraw/zinc/62/92/31/626629231.db2.gz DOYJDHQJHKEXPJ-AYHJJNSGSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883265510 626629234 /nfs/dbraw/zinc/62/92/34/626629234.db2.gz DOYJDHQJHKEXPJ-AYHJJNSGSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883265510 626629237 /nfs/dbraw/zinc/62/92/37/626629237.db2.gz DOYJDHQJHKEXPJ-AYHJJNSGSA-N 2 1 300.446 3.287 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](C)C1 ZINC000883322772 626647071 /nfs/dbraw/zinc/64/70/71/626647071.db2.gz UQCYZYCSFTYPHS-VPAKFMSCSA-N 2 1 308.510 3.292 20 0 DGADMP c1ccc([C@H]2CCC[C@@H](C[N@H+]3CCC4(C3)CC[NH2+]CC4)O2)cc1 ZINC000883424347 626679481 /nfs/dbraw/zinc/67/94/81/626679481.db2.gz OUNMSWOXESSYST-RBUKOAKNSA-N 2 1 314.473 3.372 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2ccccc2Br)C1 ZINC000883427685 626680269 /nfs/dbraw/zinc/68/02/69/626680269.db2.gz ZHKCDVWHMPWXQF-CYBMUJFWSA-N 2 1 311.267 3.052 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)C1CCCCC1 ZINC000883430137 626680892 /nfs/dbraw/zinc/68/08/92/626680892.db2.gz NTPGEKNQYKZWDA-QYZOEREBSA-N 2 1 302.462 3.404 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437871 626682791 /nfs/dbraw/zinc/68/27/91/626682791.db2.gz DCBMWGUJJPQXSS-ZGXWSNOMSA-N 2 1 314.473 3.228 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437871 626682793 /nfs/dbraw/zinc/68/27/93/626682793.db2.gz DCBMWGUJJPQXSS-ZGXWSNOMSA-N 2 1 314.473 3.228 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000883447876 626683992 /nfs/dbraw/zinc/68/39/92/626683992.db2.gz NYDCWOSJOGDGCP-FUHWJXTLSA-N 2 1 324.472 3.256 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)oc21 ZINC000809767084 626948678 /nfs/dbraw/zinc/94/86/78/626948678.db2.gz GBNWGTMVQMBWHQ-RDJZCZTQSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)oc21 ZINC000809767084 626948679 /nfs/dbraw/zinc/94/86/79/626948679.db2.gz GBNWGTMVQMBWHQ-RDJZCZTQSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)oc21 ZINC000809767084 626948682 /nfs/dbraw/zinc/94/86/82/626948682.db2.gz GBNWGTMVQMBWHQ-RDJZCZTQSA-N 2 1 314.429 3.358 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000885916119 627059538 /nfs/dbraw/zinc/05/95/38/627059538.db2.gz OMSLNYAIZWRKES-WOJBJXKFSA-N 2 1 316.489 3.372 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000885916119 627059539 /nfs/dbraw/zinc/05/95/39/627059539.db2.gz OMSLNYAIZWRKES-WOJBJXKFSA-N 2 1 316.489 3.372 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000886032371 627088476 /nfs/dbraw/zinc/08/84/76/627088476.db2.gz DXGSJLZZYVAWHX-SCTDSRPQSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000886032371 627088468 /nfs/dbraw/zinc/08/84/68/627088468.db2.gz DXGSJLZZYVAWHX-SCTDSRPQSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000886032371 627088470 /nfs/dbraw/zinc/08/84/70/627088470.db2.gz DXGSJLZZYVAWHX-SCTDSRPQSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000886032371 627088473 /nfs/dbraw/zinc/08/84/73/627088473.db2.gz DXGSJLZZYVAWHX-SCTDSRPQSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000886032371 627088479 /nfs/dbraw/zinc/08/84/79/627088479.db2.gz DXGSJLZZYVAWHX-SCTDSRPQSA-N 2 1 304.478 3.254 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)COCc2ccccc2)CC1 ZINC000886030008 627088752 /nfs/dbraw/zinc/08/87/52/627088752.db2.gz FDQRDNXKPLQUBS-QGZVFWFLSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)COCc2ccccc2)CC1 ZINC000886030008 627088753 /nfs/dbraw/zinc/08/87/53/627088753.db2.gz FDQRDNXKPLQUBS-QGZVFWFLSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886041766 627091319 /nfs/dbraw/zinc/09/13/19/627091319.db2.gz QPPPZQQXTRDTQO-HOJAQTOUSA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886041767 627091352 /nfs/dbraw/zinc/09/13/52/627091352.db2.gz QPPPZQQXTRDTQO-MISYRCLQSA-N 2 1 320.521 3.390 20 0 DGADMP C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067212 627097891 /nfs/dbraw/zinc/09/78/91/627097891.db2.gz IMHDQHSNYPMFBM-ICSRJNTNSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067212 627097893 /nfs/dbraw/zinc/09/78/93/627097893.db2.gz IMHDQHSNYPMFBM-ICSRJNTNSA-N 2 1 314.473 3.009 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1)CC(C)C ZINC000886105415 627106014 /nfs/dbraw/zinc/10/60/14/627106014.db2.gz ZEHAFZQNRINRRJ-WOJBJXKFSA-N 2 1 322.537 3.493 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000886140144 627111033 /nfs/dbraw/zinc/11/10/33/627111033.db2.gz AUDSVNLGYCEMHZ-YSHGAJCASA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000886221238 627122874 /nfs/dbraw/zinc/12/28/74/627122874.db2.gz WCIKWZZWYMCEBY-UYAOXDASSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000886221238 627122877 /nfs/dbraw/zinc/12/28/77/627122877.db2.gz WCIKWZZWYMCEBY-UYAOXDASSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000886313057 627135150 /nfs/dbraw/zinc/13/51/50/627135150.db2.gz QPXQOSUUPRUHHR-QXAKKESOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000886313057 627135153 /nfs/dbraw/zinc/13/51/53/627135153.db2.gz QPXQOSUUPRUHHR-QXAKKESOSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000886493243 627152786 /nfs/dbraw/zinc/15/27/86/627152786.db2.gz BLDFEBHUQUGHPD-LJQANCHMSA-N 2 1 314.477 3.229 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000886504165 627154111 /nfs/dbraw/zinc/15/41/11/627154111.db2.gz TVCRVFIGBSKFIL-WMZOPIPTSA-N 2 1 306.498 3.219 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886510053 627155216 /nfs/dbraw/zinc/15/52/16/627155216.db2.gz RIVDSRPTCHJUNJ-VIQWUECVSA-N 3 1 307.526 3.105 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCC(C)(C)CO3)CC2)[nH+]c1C ZINC000886659705 627182507 /nfs/dbraw/zinc/18/25/07/627182507.db2.gz TUKNWLCSGRVCJI-MRXNPFEDSA-N 2 1 305.466 3.411 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)[nH+]c1C ZINC000886662262 627183500 /nfs/dbraw/zinc/18/35/00/627183500.db2.gz AGDTUYTXFAIBRX-UHFFFAOYSA-N 2 1 321.465 3.328 20 0 DGADMP Cc1csc(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000886694246 627192871 /nfs/dbraw/zinc/19/28/71/627192871.db2.gz RUDRFVBUHAXQBY-CVEARBPZSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000886694246 627192873 /nfs/dbraw/zinc/19/28/73/627192873.db2.gz RUDRFVBUHAXQBY-CVEARBPZSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000886694246 627192876 /nfs/dbraw/zinc/19/28/76/627192876.db2.gz RUDRFVBUHAXQBY-CVEARBPZSA-N 2 1 307.507 3.190 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000886716314 627196992 /nfs/dbraw/zinc/19/69/92/627196992.db2.gz VQGFKQRWMWMXNW-UHFFFAOYSA-N 2 1 310.482 3.059 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000886776250 627203648 /nfs/dbraw/zinc/20/36/48/627203648.db2.gz AIAYPSKVQNUWFJ-XMTFNYHQSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000886840018 627211263 /nfs/dbraw/zinc/21/12/63/627211263.db2.gz REFDJQLDRLCFDL-QZTJIDSGSA-N 2 1 316.489 3.303 20 0 DGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000886857964 627211267 /nfs/dbraw/zinc/21/12/67/627211267.db2.gz HTEZPOBKTYORSF-GJZGRUSLSA-N 2 1 304.400 3.431 20 0 DGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000886858191 627211728 /nfs/dbraw/zinc/21/17/28/627211728.db2.gz QHYKFOCXDVUTLA-IRXDYDNUSA-N 2 1 324.390 3.497 20 0 DGADMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)c(C)c1 ZINC000887110408 627226490 /nfs/dbraw/zinc/22/64/90/627226490.db2.gz NZJQRIIAEOJLKM-UHFFFAOYSA-N 2 1 315.461 3.118 20 0 DGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)c(C)c1 ZINC000887110408 627226492 /nfs/dbraw/zinc/22/64/92/627226492.db2.gz NZJQRIIAEOJLKM-UHFFFAOYSA-N 2 1 315.461 3.118 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000887135176 627228202 /nfs/dbraw/zinc/22/82/02/627228202.db2.gz XSISTYCMPJSEBG-CHWSQXEVSA-N 2 1 314.260 3.176 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1ccccc1 ZINC000813876920 627518284 /nfs/dbraw/zinc/51/82/84/627518284.db2.gz DKTOEEJWZPOMIU-HUUCEWRRSA-N 2 1 300.450 3.029 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1ccccc1 ZINC000813876921 627518426 /nfs/dbraw/zinc/51/84/26/627518426.db2.gz DKTOEEJWZPOMIU-LSDHHAIUSA-N 2 1 300.450 3.029 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000815057212 627620227 /nfs/dbraw/zinc/62/02/27/627620227.db2.gz OWCSGFHIODTNAQ-VPWXQRGCSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@H+]1C ZINC000815057212 627620232 /nfs/dbraw/zinc/62/02/32/627620232.db2.gz OWCSGFHIODTNAQ-VPWXQRGCSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057212 627620235 /nfs/dbraw/zinc/62/02/35/627620235.db2.gz OWCSGFHIODTNAQ-VPWXQRGCSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057212 627620239 /nfs/dbraw/zinc/62/02/39/627620239.db2.gz OWCSGFHIODTNAQ-VPWXQRGCSA-N 2 1 312.457 3.288 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnn(C)c2Cl)c1 ZINC000815114635 627628227 /nfs/dbraw/zinc/62/82/27/627628227.db2.gz ATSVADIFXWRHBF-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnn(C)c1Cl ZINC000815113324 627628497 /nfs/dbraw/zinc/62/84/97/627628497.db2.gz XQQDAZBSTMZKSP-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CCCC1 ZINC000924578759 627651456 /nfs/dbraw/zinc/65/14/56/627651456.db2.gz RQPNYFAJFZJABH-FUHWJXTLSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnn(C2CCC2)c1 ZINC000924580380 627652086 /nfs/dbraw/zinc/65/20/86/627652086.db2.gz WNOZNKKWOLAOJL-INIZCTEOSA-N 2 1 304.482 3.381 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924597051 627655035 /nfs/dbraw/zinc/65/50/35/627655035.db2.gz CHZYNGZVDUOMRP-LJQANCHMSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924629580 627659973 /nfs/dbraw/zinc/65/99/73/627659973.db2.gz VCLYHZOYPWENRI-OAHLLOKOSA-N 2 1 304.482 3.379 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000924683587 627666386 /nfs/dbraw/zinc/66/63/86/627666386.db2.gz AJUWFQZSDQSMRG-CVEARBPZSA-N 2 1 305.466 3.253 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000924684827 627666916 /nfs/dbraw/zinc/66/69/16/627666916.db2.gz GGMLNJVSZHXKKD-HOTGVXAUSA-N 2 1 305.466 3.395 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000924688239 627667999 /nfs/dbraw/zinc/66/79/99/627667999.db2.gz SAXDLRSRANIGFN-CVEARBPZSA-N 2 1 307.486 3.164 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924689066 627668205 /nfs/dbraw/zinc/66/82/05/627668205.db2.gz WISRHJSSSJDAPS-QFBILLFUSA-N 2 1 308.510 3.293 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924696890 627669217 /nfs/dbraw/zinc/66/92/17/627669217.db2.gz GYQWWKFVPUNTFU-YRWFTTLQSA-N 2 1 316.489 3.220 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2[C@H](C)COC[C@H]2C)c1 ZINC000924828344 627684650 /nfs/dbraw/zinc/68/46/50/627684650.db2.gz IMVPQWRDGRFJDG-HZPDHXFCSA-N 2 1 304.478 3.287 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924950228 627696489 /nfs/dbraw/zinc/69/64/89/627696489.db2.gz IMYTXSHIZFGFDM-LSDHHAIUSA-N 2 1 315.461 3.406 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924950236 627696665 /nfs/dbraw/zinc/69/66/65/627696665.db2.gz IMZPCNSVMAFNDR-XHDPSFHLSA-N 2 1 304.825 3.153 20 0 DGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000924966984 627698468 /nfs/dbraw/zinc/69/84/68/627698468.db2.gz SNSWWXBAJVEFEX-IEBWSBKVSA-N 2 1 307.526 3.129 20 0 DGADMP COc1ccc2[nH]cc(CC[NH2+][C@H](c3ccccc3)[C@H](C)[NH3+])c2c1 ZINC000925485184 627741040 /nfs/dbraw/zinc/74/10/40/627741040.db2.gz BPFLFUNFPWRLEP-XOBRGWDASA-N 2 1 323.440 3.397 20 0 DGADMP CC1(C)C[C@@H](NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H]([NH3+])C1 ZINC000925494115 627742501 /nfs/dbraw/zinc/74/25/01/627742501.db2.gz NHHHTOPYNVXETF-OWCLPIDISA-N 2 1 321.534 3.381 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1 ZINC000925531967 627748777 /nfs/dbraw/zinc/74/87/77/627748777.db2.gz SVIPVVVHNIPPTM-HNAYVOBHSA-N 2 1 305.425 3.455 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925599841 627761543 /nfs/dbraw/zinc/76/15/43/627761543.db2.gz CYUORNOBZHULDM-KFWWJZLASA-N 2 1 308.491 3.154 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605184 627761605 /nfs/dbraw/zinc/76/16/05/627761605.db2.gz DIGLEDQGFBSZGE-RBUKOAKNSA-N 3 1 303.494 3.177 20 0 DGADMP CC(C)[C@@H](CN[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605184 627761609 /nfs/dbraw/zinc/76/16/09/627761609.db2.gz DIGLEDQGFBSZGE-RBUKOAKNSA-N 2 1 303.494 3.177 20 0 DGADMP c1coc([C@@H](CN[C@H]2CC[NH2+]C23CCCC3)[NH+]2CCCCC2)c1 ZINC000925610977 627762231 /nfs/dbraw/zinc/76/22/31/627762231.db2.gz JXUISXMDSPHIHV-AEFFLSMTSA-N 2 1 317.477 3.071 20 0 DGADMP Cc1cccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccn2)c1 ZINC000925713937 627780340 /nfs/dbraw/zinc/78/03/40/627780340.db2.gz ZJWUAELDCRYRHU-FQEVSTJZSA-N 2 1 307.441 3.331 20 0 DGADMP Cc1cccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccn2)c1 ZINC000925713937 627780342 /nfs/dbraw/zinc/78/03/42/627780342.db2.gz ZJWUAELDCRYRHU-FQEVSTJZSA-N 2 1 307.441 3.331 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCC[C@@]34CCCO4)CC[NH2+]2)cc1 ZINC000925771302 627791838 /nfs/dbraw/zinc/79/18/38/627791838.db2.gz ASZNFBLJUFCLQQ-CADBVGFASA-N 2 1 300.446 3.171 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)oc21 ZINC000925775000 627792634 /nfs/dbraw/zinc/79/26/34/627792634.db2.gz BPNKUTPVXYNDOX-YPMHNXCESA-N 2 1 324.371 3.337 20 0 DGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925782501 627794884 /nfs/dbraw/zinc/79/48/84/627794884.db2.gz LXVIXNVFEBPHND-JQWIXIFHSA-N 2 1 317.449 3.470 20 0 DGADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000925790390 627795646 /nfs/dbraw/zinc/79/56/46/627795646.db2.gz FSBOCBZNCKBRAM-CEXWTWQISA-N 2 1 314.473 3.071 20 0 DGADMP C1C[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2(C1)CCCCC2 ZINC000925799313 627797419 /nfs/dbraw/zinc/79/74/19/627797419.db2.gz SKLLTJPWSAXHST-IRXDYDNUSA-N 2 1 306.494 3.238 20 0 DGADMP Cn1cnc2cc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)ccc21 ZINC000925814200 627798899 /nfs/dbraw/zinc/79/88/99/627798899.db2.gz YFJASPVWDYNQDZ-ROUUACIJSA-N 2 1 320.440 3.156 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])o1 ZINC000925838227 627803310 /nfs/dbraw/zinc/80/33/10/627803310.db2.gz KPDGLSQCYWSPNQ-ACJLOTCBSA-N 2 1 309.413 3.357 20 0 DGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1OC(F)F ZINC000925842886 627804544 /nfs/dbraw/zinc/80/45/44/627804544.db2.gz OFAUEYHJGMLFIB-XGWLTEMNSA-N 2 1 310.388 3.471 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)s1 ZINC000925850132 627806267 /nfs/dbraw/zinc/80/62/67/627806267.db2.gz SJENGLBAGCWADS-OAHLLOKOSA-N 2 1 309.523 3.037 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc4c3OCC4)CC[NH2+]2)cc1 ZINC000925873730 627810004 /nfs/dbraw/zinc/81/00/04/627810004.db2.gz CUKSFWKHDDMJSD-RBUKOAKNSA-N 2 1 308.425 3.204 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000925877766 627810457 /nfs/dbraw/zinc/81/04/57/627810457.db2.gz XATWCBQMNCZCJA-IAGOWNOFSA-N 2 1 312.413 3.247 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119738 627847373 /nfs/dbraw/zinc/84/73/73/627847373.db2.gz PZNDQGJWPXLRSC-UURKPOQGSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccnnc1 ZINC000926146003 627850915 /nfs/dbraw/zinc/85/09/15/627850915.db2.gz IRYASLSNFKSLMV-MVJPYGJCSA-N 2 1 322.456 3.038 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325801 627880142 /nfs/dbraw/zinc/88/01/42/627880142.db2.gz NKXPLVXKWNBZRJ-HSALFYBXSA-N 2 1 316.489 3.159 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738931 627943723 /nfs/dbraw/zinc/94/37/23/627943723.db2.gz NMTWPMJQQPMXHF-IRXDYDNUSA-N 2 1 317.477 3.253 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738931 627943727 /nfs/dbraw/zinc/94/37/27/627943727.db2.gz NMTWPMJQQPMXHF-IRXDYDNUSA-N 2 1 317.477 3.253 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739451 627944380 /nfs/dbraw/zinc/94/43/80/627944380.db2.gz SFSKOYQUTGBEIX-RDJZCZTQSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739451 627944383 /nfs/dbraw/zinc/94/43/83/627944383.db2.gz SFSKOYQUTGBEIX-RDJZCZTQSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739156 627944435 /nfs/dbraw/zinc/94/44/35/627944435.db2.gz OQZQWXPXFMPJSX-ZBFHGGJFSA-N 2 1 316.445 3.188 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739156 627944438 /nfs/dbraw/zinc/94/44/38/627944438.db2.gz OQZQWXPXFMPJSX-ZBFHGGJFSA-N 2 1 316.445 3.188 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000926743535 627945012 /nfs/dbraw/zinc/94/50/12/627945012.db2.gz HPXAKHFNHBJJNL-WBXBSLSUSA-N 2 1 320.864 3.133 20 0 DGADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000926743535 627945014 /nfs/dbraw/zinc/94/50/14/627945014.db2.gz HPXAKHFNHBJJNL-WBXBSLSUSA-N 2 1 320.864 3.133 20 0 DGADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000926743535 627945017 /nfs/dbraw/zinc/94/50/17/627945017.db2.gz HPXAKHFNHBJJNL-WBXBSLSUSA-N 2 1 320.864 3.133 20 0 DGADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926772797 627950309 /nfs/dbraw/zinc/95/03/09/627950309.db2.gz VQFOACJSPRSZEG-KCDAKHSRSA-N 2 1 314.473 3.339 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000926787571 627953706 /nfs/dbraw/zinc/95/37/06/627953706.db2.gz QOMJJFSWISQKJO-GJZGRUSLSA-N 2 1 324.431 3.034 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCOc2ccccc2F)c2ccccc21 ZINC000817898325 627956460 /nfs/dbraw/zinc/95/64/60/627956460.db2.gz GEECVSIDCMJWTG-IRXDYDNUSA-N 2 1 300.377 3.329 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805222 627958315 /nfs/dbraw/zinc/95/83/15/627958315.db2.gz ORJNEFUEURLIBC-YOEHRIQHSA-N 2 1 303.450 3.235 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805222 627958318 /nfs/dbraw/zinc/95/83/18/627958318.db2.gz ORJNEFUEURLIBC-YOEHRIQHSA-N 2 1 303.450 3.235 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000817939666 627967454 /nfs/dbraw/zinc/96/74/54/627967454.db2.gz AIHAOVPRSQEGTN-IOJLRTSASA-N 2 1 316.489 3.282 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817958775 627974569 /nfs/dbraw/zinc/97/45/69/627974569.db2.gz MIGMVEJCCZSYCC-HOCLYGCPSA-N 2 1 319.449 3.057 20 0 DGADMP COCc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000817958664 627974588 /nfs/dbraw/zinc/97/45/88/627974588.db2.gz LGRBWOXUSNONGX-RDTXWAMCSA-N 2 1 320.477 3.400 20 0 DGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000817964463 627976989 /nfs/dbraw/zinc/97/69/89/627976989.db2.gz DQCYCIVAXRQXJY-OAHLLOKOSA-N 3 1 319.493 3.069 20 0 DGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000817964462 627977158 /nfs/dbraw/zinc/97/71/58/627977158.db2.gz DQCYCIVAXRQXJY-HNNXBMFYSA-N 3 1 319.493 3.069 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1SC(F)F ZINC000817965815 627978038 /nfs/dbraw/zinc/97/80/38/627978038.db2.gz WJNAQRPQSZKBDL-CABZTGNLSA-N 2 1 316.417 3.398 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000817980332 627982181 /nfs/dbraw/zinc/98/21/81/627982181.db2.gz UDEIEYYSSKBKMH-MWLCHTKSSA-N 2 1 304.406 3.398 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Br)nc1 ZINC000817981415 627982329 /nfs/dbraw/zinc/98/23/29/627982329.db2.gz JBCVLMKMKCACMU-GXFFZTMASA-N 2 1 312.255 3.012 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000817980334 627982507 /nfs/dbraw/zinc/98/25/07/627982507.db2.gz UDEIEYYSSKBKMH-ONGXEEELSA-N 2 1 304.406 3.398 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)[C@H](C)C1 ZINC000927114519 628018662 /nfs/dbraw/zinc/01/86/62/628018662.db2.gz GJIUDNMMKSDVKG-NEWSRXKRSA-N 2 1 302.462 3.012 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000818959212 628067385 /nfs/dbraw/zinc/06/73/85/628067385.db2.gz FSGGDMZAIUWHLZ-VQIMIIECSA-N 2 1 304.478 3.130 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000818985112 628073353 /nfs/dbraw/zinc/07/33/53/628073353.db2.gz OIIUTPIDDHDCPS-IEBWSBKVSA-N 2 1 304.478 3.047 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000818985802 628073628 /nfs/dbraw/zinc/07/36/28/628073628.db2.gz WKKJRPLSONPZIP-YOEHRIQHSA-N 2 1 310.869 3.083 20 0 DGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2cccc(Cl)c2)[nH+]c1 ZINC000819129149 628097408 /nfs/dbraw/zinc/09/74/08/628097408.db2.gz BIGFOXRQNLSCFJ-INIZCTEOSA-N 2 1 319.836 3.169 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000819181891 628107359 /nfs/dbraw/zinc/10/73/59/628107359.db2.gz DASJBNCVXPATQL-APWZRJJASA-N 2 1 322.468 3.125 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000821362377 628360396 /nfs/dbraw/zinc/36/03/96/628360396.db2.gz GCQZCNUMFFJHPT-UHFFFAOYSA-N 2 1 316.449 3.167 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000821736463 628393628 /nfs/dbraw/zinc/39/36/28/628393628.db2.gz FPXTYGHOLRIBLH-ZWKOTPCHSA-N 2 1 315.461 3.047 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000821736459 628393747 /nfs/dbraw/zinc/39/37/47/628393747.db2.gz FPXTYGHOLRIBLH-QZTJIDSGSA-N 2 1 315.461 3.047 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823654149 628583888 /nfs/dbraw/zinc/58/38/88/628583888.db2.gz PMVQMBRZQFZLSJ-ZDUSSCGKSA-N 2 1 313.848 3.476 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000823960673 628614099 /nfs/dbraw/zinc/61/40/99/628614099.db2.gz BPFKIGAUVFILHO-UONOGXRCSA-N 2 1 307.825 3.444 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000829443759 629157344 /nfs/dbraw/zinc/15/73/44/629157344.db2.gz DDFFFNAUKLOMBM-ZDUSSCGKSA-N 2 1 305.293 3.378 20 0 DGADMP CCc1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000840942569 630381898 /nfs/dbraw/zinc/38/18/98/630381898.db2.gz HMDCRELQRNDJCR-FQEVSTJZSA-N 2 1 324.472 3.041 20 0 DGADMP CCc1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000840942569 630381899 /nfs/dbraw/zinc/38/18/99/630381899.db2.gz HMDCRELQRNDJCR-FQEVSTJZSA-N 2 1 324.472 3.041 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]1 ZINC000841009754 630395313 /nfs/dbraw/zinc/39/53/13/630395313.db2.gz SSMQLFSCFIUJNF-RGCFKVTRSA-N 2 1 320.452 3.102 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)oc21 ZINC000841087821 630406695 /nfs/dbraw/zinc/40/66/95/630406695.db2.gz QFXJFXYYOOAQRK-WBVHZDCISA-N 2 1 314.429 3.405 20 0 DGADMP CCCCCCOc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000841100915 630407862 /nfs/dbraw/zinc/40/78/62/630407862.db2.gz NUWWCVRXELMVFD-LJQANCHMSA-N 2 1 320.477 3.195 20 0 DGADMP CCCCCCOc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000841100915 630407863 /nfs/dbraw/zinc/40/78/63/630407863.db2.gz NUWWCVRXELMVFD-LJQANCHMSA-N 2 1 320.477 3.195 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])Cc1cnn(-c2ccccc2)c1 ZINC000842471416 630538655 /nfs/dbraw/zinc/53/86/55/630538655.db2.gz AAIULRAUTNLLPK-UHFFFAOYSA-N 2 1 300.450 3.213 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000842472107 630539080 /nfs/dbraw/zinc/53/90/80/630539080.db2.gz QUGHKJGVZWWCDA-OALUTQOASA-N 2 1 304.478 3.484 20 0 DGADMP Cc1cc([C@H]2C[N@H+](CCCCCCC[NH3+])CCO2)ccc1F ZINC000842476298 630539679 /nfs/dbraw/zinc/53/96/79/630539679.db2.gz LHTMZWIMBMEVIX-GOSISDBHSA-N 2 1 308.441 3.417 20 0 DGADMP Cc1cc([C@H]2C[N@@H+](CCCCCCC[NH3+])CCO2)ccc1F ZINC000842476298 630539683 /nfs/dbraw/zinc/53/96/83/630539683.db2.gz LHTMZWIMBMEVIX-GOSISDBHSA-N 2 1 308.441 3.417 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H](c2ccc(F)cc2)O1 ZINC000842472631 630539735 /nfs/dbraw/zinc/53/97/35/630539735.db2.gz GVOMNGWCKNTSDA-QAPCUYQASA-N 2 1 308.441 3.497 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])Cc1nc(-c2ccccc2)c[nH]1 ZINC000842476466 630539764 /nfs/dbraw/zinc/53/97/64/630539764.db2.gz PDUFHAWHMJKXHJ-UHFFFAOYSA-N 2 1 300.450 3.418 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000842472756 630539842 /nfs/dbraw/zinc/53/98/42/630539842.db2.gz JZQCIMDVWYVMEB-YZGWKJHDSA-N 2 1 316.489 3.354 20 0 DGADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H](O)c1ccc(F)cc1 ZINC000842472992 630539860 /nfs/dbraw/zinc/53/98/60/630539860.db2.gz LLYYTWGXQOXDOL-LPHOPBHVSA-N 2 1 322.468 3.207 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2F)cc1 ZINC000843050253 630608085 /nfs/dbraw/zinc/60/80/85/630608085.db2.gz DFPJQLSQBYRVBT-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP CCCCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000843057456 630609475 /nfs/dbraw/zinc/60/94/75/630609475.db2.gz DOUPEAWABAYBTC-CWRNSKLLSA-N 2 1 324.900 3.204 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000843057456 630609477 /nfs/dbraw/zinc/60/94/77/630609477.db2.gz DOUPEAWABAYBTC-CWRNSKLLSA-N 2 1 324.900 3.204 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC000843120209 630615863 /nfs/dbraw/zinc/61/58/63/630615863.db2.gz XYCYZTVBJBFTOX-UHFFFAOYSA-N 2 1 324.900 3.221 20 0 DGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000843129887 630617787 /nfs/dbraw/zinc/61/77/87/630617787.db2.gz SRUXGHXHTFBVOU-OLZOCXBDSA-N 2 1 320.868 3.109 20 0 DGADMP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843342427 630647745 /nfs/dbraw/zinc/64/77/45/630647745.db2.gz QOWBAYMQDMGVOL-HKUYNNGSSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000843342427 630647747 /nfs/dbraw/zinc/64/77/47/630647747.db2.gz QOWBAYMQDMGVOL-HKUYNNGSSA-N 2 1 303.494 3.006 20 0 DGADMP Brc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000843358870 630649184 /nfs/dbraw/zinc/64/91/84/630649184.db2.gz YKVIPVWODVTIJA-GOEBONIOSA-N 2 1 323.278 3.066 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000845995261 631204950 /nfs/dbraw/zinc/20/49/50/631204950.db2.gz AUUZECAGQXEKBY-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000845995261 631204951 /nfs/dbraw/zinc/20/49/51/631204951.db2.gz AUUZECAGQXEKBY-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CC[N@H+](CCC[NH2+][C@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000846183135 631213742 /nfs/dbraw/zinc/21/37/42/631213742.db2.gz PKJZWHDIUOXVSN-KRWDZBQOSA-N 2 1 304.482 3.421 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000846183135 631213743 /nfs/dbraw/zinc/21/37/43/631213743.db2.gz PKJZWHDIUOXVSN-KRWDZBQOSA-N 2 1 304.482 3.421 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000846219663 631215388 /nfs/dbraw/zinc/21/53/88/631215388.db2.gz UTJMZEBQPFSCHT-UHFFFAOYSA-N 2 1 311.267 3.326 20 0 DGADMP CC(C)[N@@H+](CCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000846218879 631215393 /nfs/dbraw/zinc/21/53/93/631215393.db2.gz XISMMUUMZHBQIB-UHFFFAOYSA-N 2 1 316.449 3.065 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(Br)CC2)CC1 ZINC000846776195 631302341 /nfs/dbraw/zinc/30/23/41/631302341.db2.gz MNYOONREARHRMT-UHFFFAOYSA-N 2 1 317.315 3.358 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000846814163 631316199 /nfs/dbraw/zinc/31/61/99/631316199.db2.gz OCIILAVUBYARBF-GDBMZVCRSA-N 2 1 319.474 3.002 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000846814163 631316207 /nfs/dbraw/zinc/31/62/07/631316207.db2.gz OCIILAVUBYARBF-GDBMZVCRSA-N 2 1 319.474 3.002 20 0 DGADMP Cn1c(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cnc1Cl ZINC000848547078 631687608 /nfs/dbraw/zinc/68/76/08/631687608.db2.gz JUBRWHYKHNVWRJ-UHFFFAOYSA-N 2 1 312.889 3.208 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000848600145 631704493 /nfs/dbraw/zinc/70/44/93/631704493.db2.gz YQQLEVMINGKQRW-UHFFFAOYSA-N 2 1 302.462 3.394 20 0 DGADMP CCCCNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989944 631799209 /nfs/dbraw/zinc/79/92/09/631799209.db2.gz MVPSAOQQJMNCOP-FUHWJXTLSA-N 2 1 316.493 3.201 20 0 DGADMP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC2(C)C)cc1 ZINC000849039014 631815697 /nfs/dbraw/zinc/81/56/97/631815697.db2.gz CUBQFGIJZXNZRK-UHFFFAOYSA-N 2 1 318.465 3.284 20 0 DGADMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000849053875 631819752 /nfs/dbraw/zinc/81/97/52/631819752.db2.gz TVJRMRUVFYPQIX-OAHLLOKOSA-N 2 1 302.466 3.450 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000849063516 631824461 /nfs/dbraw/zinc/82/44/61/631824461.db2.gz IIQDEDFPVSBHQW-HNNXBMFYSA-N 2 1 316.493 3.480 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000849065586 631824893 /nfs/dbraw/zinc/82/48/93/631824893.db2.gz LCYSCEKZIBGUKD-MRXNPFEDSA-N 2 1 316.493 3.119 20 0 DGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C1=CCCCC1 ZINC000849092575 631833763 /nfs/dbraw/zinc/83/37/63/631833763.db2.gz QYIPZDPBKUEVIJ-INIZCTEOSA-N 2 1 306.498 3.111 20 0 DGADMP C[C@]1(CNC(=[NH2+])N2CCCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000849098394 631834810 /nfs/dbraw/zinc/83/48/10/631834810.db2.gz ZLURKAKXUFDDQW-LJQANCHMSA-N 2 1 314.477 3.051 20 0 DGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C2CCC2)cc1 ZINC000849097626 631834887 /nfs/dbraw/zinc/83/48/87/631834887.db2.gz BZYAHIVCRUBBOJ-SFHVURJKSA-N 2 1 314.477 3.052 20 0 DGADMP Cc1cccc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000849098592 631835083 /nfs/dbraw/zinc/83/50/83/631835083.db2.gz YKJNXDBYWQYQTG-UHFFFAOYSA-N 2 1 322.456 3.030 20 0 DGADMP COc1ccc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000849117135 631838904 /nfs/dbraw/zinc/83/89/04/631838904.db2.gz ZLTVAEIWSIJNIN-LBPRGKRZSA-N 2 1 324.856 3.017 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000849349782 631900978 /nfs/dbraw/zinc/90/09/78/631900978.db2.gz IXZRTLLWRLPRMG-UTRMSSBJSA-N 2 1 320.452 3.066 20 0 DGADMP COc1cncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000850087262 632052760 /nfs/dbraw/zinc/05/27/60/632052760.db2.gz LKYUTPNIZOVRBX-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850422255 632147670 /nfs/dbraw/zinc/14/76/70/632147670.db2.gz KNKAHZKJZGGWNS-CQSZACIVSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cn1 ZINC000850426553 632149208 /nfs/dbraw/zinc/14/92/08/632149208.db2.gz WHTVLCYPRIAEII-NSHDSACASA-N 2 1 308.376 3.345 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850427000 632149324 /nfs/dbraw/zinc/14/93/24/632149324.db2.gz JWXQVWVWTRPISV-HZPDHXFCSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1SCCS1 ZINC000850559740 632194103 /nfs/dbraw/zinc/19/41/03/632194103.db2.gz FSKJYQKVXOZWAB-HOCLYGCPSA-N 2 1 322.543 3.293 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000850575524 632200066 /nfs/dbraw/zinc/20/00/66/632200066.db2.gz XUXLCARPPOQKHC-ZWKOTPCHSA-N 2 1 324.896 3.472 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000851889473 632514667 /nfs/dbraw/zinc/51/46/67/632514667.db2.gz KAZZJVUWXMCOKG-RTBURBONSA-N 2 1 317.477 3.187 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000852040528 632543759 /nfs/dbraw/zinc/54/37/59/632543759.db2.gz LVIBTAXAGDRKBI-ZCNNSNEGSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040528 632543762 /nfs/dbraw/zinc/54/37/62/632543762.db2.gz LVIBTAXAGDRKBI-ZCNNSNEGSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040528 632543764 /nfs/dbraw/zinc/54/37/64/632543764.db2.gz LVIBTAXAGDRKBI-ZCNNSNEGSA-N 2 1 314.473 3.152 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1csc(Br)c1 ZINC000051919534 655794519 /nfs/dbraw/zinc/79/45/19/655794519.db2.gz KFKWHLCQQYDANU-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421848487 660486543 /nfs/dbraw/zinc/48/65/43/660486543.db2.gz ALRXHBADPZUJAX-OALUTQOASA-N 2 1 315.505 3.429 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1C(F)(F)F ZINC000700773407 660636041 /nfs/dbraw/zinc/63/60/41/660636041.db2.gz KIWMSUWIGFLKBU-BBBLOLIVSA-N 2 1 319.198 3.029 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1C(F)(F)F ZINC000700773407 660636042 /nfs/dbraw/zinc/63/60/42/660636042.db2.gz KIWMSUWIGFLKBU-BBBLOLIVSA-N 2 1 319.198 3.029 20 0 DGADMP CCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702566593 660730064 /nfs/dbraw/zinc/73/00/64/660730064.db2.gz KFORBUMKENNRTQ-PKOBYXMFSA-N 2 1 304.478 3.182 20 0 DGADMP CCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702566593 660730066 /nfs/dbraw/zinc/73/00/66/660730066.db2.gz KFORBUMKENNRTQ-PKOBYXMFSA-N 2 1 304.478 3.182 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000793522347 661040993 /nfs/dbraw/zinc/04/09/93/661040993.db2.gz FWAALEOLCSZABZ-UXLLHSPISA-N 2 1 306.498 3.137 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000793548871 661044488 /nfs/dbraw/zinc/04/44/88/661044488.db2.gz AWTYYLWEBYOAAG-HRCADAONSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000793548871 661044490 /nfs/dbraw/zinc/04/44/90/661044490.db2.gz AWTYYLWEBYOAAG-HRCADAONSA-N 2 1 304.482 3.032 20 0 DGADMP COc1cccc2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)oc21 ZINC000092253528 655534752 /nfs/dbraw/zinc/53/47/52/655534752.db2.gz ZCEIGFLCZFUWFT-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)oc21 ZINC000092253528 655534753 /nfs/dbraw/zinc/53/47/53/655534753.db2.gz ZCEIGFLCZFUWFT-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cccc2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)oc21 ZINC000092253528 655534754 /nfs/dbraw/zinc/53/47/54/655534754.db2.gz ZCEIGFLCZFUWFT-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cccc2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)oc21 ZINC000092253528 655534755 /nfs/dbraw/zinc/53/47/55/655534755.db2.gz ZCEIGFLCZFUWFT-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261548675 655649106 /nfs/dbraw/zinc/64/91/06/655649106.db2.gz NVGMXQNUFBQLLT-APWZRJJASA-N 2 1 310.441 3.435 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000121906502 655793523 /nfs/dbraw/zinc/79/35/23/655793523.db2.gz FEVZWGFTEDNRJI-QYZOEREBSA-N 2 1 321.553 3.209 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000177968295 655951398 /nfs/dbraw/zinc/95/13/98/655951398.db2.gz HJDGZWHPMUMHMD-OAHLLOKOSA-N 2 1 322.522 3.106 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000177968295 655951401 /nfs/dbraw/zinc/95/14/01/655951401.db2.gz HJDGZWHPMUMHMD-OAHLLOKOSA-N 2 1 322.522 3.106 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC001025137242 655969746 /nfs/dbraw/zinc/96/97/46/655969746.db2.gz XNSUUXMHITVEOT-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP c1cn2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)sc2n1 ZINC000892751026 656035750 /nfs/dbraw/zinc/03/57/50/656035750.db2.gz QINIHGKYIUOHSA-UHFFFAOYSA-N 2 1 318.490 3.140 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313565452 656292711 /nfs/dbraw/zinc/29/27/11/656292711.db2.gz JFNUKOPGAXAUQI-UIFIKXQLSA-N 2 1 324.468 3.220 20 0 DGADMP Brc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000261688538 656969354 /nfs/dbraw/zinc/96/93/54/656969354.db2.gz ATXBFWMPMBGKLM-UHFFFAOYSA-N 2 1 315.280 3.086 20 0 DGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000262023463 657292002 /nfs/dbraw/zinc/29/20/02/657292002.db2.gz WKOPSXXXOYKNAU-CQSZACIVSA-N 2 1 307.507 3.405 20 0 DGADMP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC000895376871 657443548 /nfs/dbraw/zinc/44/35/48/657443548.db2.gz CRTVQMOGQSNGHM-KXBFYZLASA-N 2 1 317.477 3.197 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000252879777 657638877 /nfs/dbraw/zinc/63/88/77/657638877.db2.gz YBMWVEFFBBGBJP-DUVNUKRYSA-N 2 1 323.278 3.317 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1F ZINC000305165895 657691084 /nfs/dbraw/zinc/69/10/84/657691084.db2.gz YILBNMJRQOJGDP-IBGZPJMESA-N 2 1 320.452 3.246 20 0 DGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963432007 658214327 /nfs/dbraw/zinc/21/43/27/658214327.db2.gz GERVXEHCCLPIPG-DAWZGUTISA-N 2 1 323.525 3.017 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425425 658517166 /nfs/dbraw/zinc/51/71/66/658517166.db2.gz MZKJQWQXNDIKOC-HZPDHXFCSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425425 658517174 /nfs/dbraw/zinc/51/71/74/658517174.db2.gz MZKJQWQXNDIKOC-HZPDHXFCSA-N 2 1 310.445 3.007 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157419380 659055282 /nfs/dbraw/zinc/05/52/82/659055282.db2.gz UUCHMGAAKGLDDJ-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157419380 659055288 /nfs/dbraw/zinc/05/52/88/659055288.db2.gz UUCHMGAAKGLDDJ-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929777518 659577296 /nfs/dbraw/zinc/57/72/96/659577296.db2.gz CAPUHYDELSAHEF-IAGOWNOFSA-N 2 1 308.416 3.451 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929777518 659577303 /nfs/dbraw/zinc/57/73/03/659577303.db2.gz CAPUHYDELSAHEF-IAGOWNOFSA-N 2 1 308.416 3.451 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCC2(CC2)CC1 ZINC000930061074 659902320 /nfs/dbraw/zinc/90/23/20/659902320.db2.gz PUWCFEQWRFNKSJ-FGTMMUONSA-N 2 1 306.494 3.140 20 0 DGADMP C[C@H]1C[C@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089908799 659909522 /nfs/dbraw/zinc/90/95/22/659909522.db2.gz LHSXZSLJXUWFTC-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cc(Br)cs2)CCCCC1 ZINC000070600581 660068805 /nfs/dbraw/zinc/06/88/05/660068805.db2.gz GEAWGIVJMANNNT-UHFFFAOYSA-N 2 1 303.269 3.262 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCSc2ccncc2)CC1 ZINC000929507737 661313606 /nfs/dbraw/zinc/31/36/06/661313606.db2.gz ZSWYLQQGMDWIJS-UHFFFAOYSA-N 2 1 307.507 3.226 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930061476 661362069 /nfs/dbraw/zinc/36/20/69/661362069.db2.gz RIHILRXJEXBDPA-ZIAGYGMSSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930061476 661362071 /nfs/dbraw/zinc/36/20/71/661362071.db2.gz RIHILRXJEXBDPA-ZIAGYGMSSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1cccc([C@@H](O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000930117617 661368294 /nfs/dbraw/zinc/36/82/94/661368294.db2.gz RSJNEZRLOMSVDL-FQEVSTJZSA-N 2 1 312.457 3.222 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC000930117797 661368481 /nfs/dbraw/zinc/36/84/81/661368481.db2.gz ZBLBZALEGPLHNI-BJWYYQGGSA-N 2 1 308.416 3.471 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460023 661400597 /nfs/dbraw/zinc/40/05/97/661400597.db2.gz KRHLFGRHIFPWCM-FIBILERRSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460023 661400600 /nfs/dbraw/zinc/40/06/00/661400600.db2.gz KRHLFGRHIFPWCM-FIBILERRSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460023 661400601 /nfs/dbraw/zinc/40/06/01/661400601.db2.gz KRHLFGRHIFPWCM-FIBILERRSA-N 2 1 320.399 3.043 20 0 DGADMP C[N@@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460025 661400654 /nfs/dbraw/zinc/40/06/54/661400654.db2.gz KRHLFGRHIFPWCM-WQGXVZNYSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460025 661400655 /nfs/dbraw/zinc/40/06/55/661400655.db2.gz KRHLFGRHIFPWCM-WQGXVZNYSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460025 661400657 /nfs/dbraw/zinc/40/06/57/661400657.db2.gz KRHLFGRHIFPWCM-WQGXVZNYSA-N 2 1 320.399 3.043 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600741 661414359 /nfs/dbraw/zinc/41/43/59/661414359.db2.gz AQBGVUBJZXJVLY-IBGZPJMESA-N 2 1 311.429 3.259 20 0 DGADMP CC(C)O[C@H](C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccccc1 ZINC000931435682 661476110 /nfs/dbraw/zinc/47/61/10/661476110.db2.gz CKEITNZUIWENPD-IPMKNSEASA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931435682 661476112 /nfs/dbraw/zinc/47/61/12/661476112.db2.gz CKEITNZUIWENPD-IPMKNSEASA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931435682 661476113 /nfs/dbraw/zinc/47/61/13/661476113.db2.gz CKEITNZUIWENPD-IPMKNSEASA-N 2 1 302.462 3.036 20 0 DGADMP C[C@@H](CCSc1ccccc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439807 661476615 /nfs/dbraw/zinc/47/66/15/661476615.db2.gz OGLREODGQNTVOU-YESZJQIVSA-N 2 1 304.503 3.441 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441438 661476779 /nfs/dbraw/zinc/47/67/79/661476779.db2.gz IINBBLJJNPGTOO-FUHWJXTLSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441438 661476781 /nfs/dbraw/zinc/47/67/81/661476781.db2.gz IINBBLJJNPGTOO-FUHWJXTLSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441438 661476782 /nfs/dbraw/zinc/47/67/82/661476782.db2.gz IINBBLJJNPGTOO-FUHWJXTLSA-N 2 1 302.462 3.202 20 0 DGADMP Cc1cccc([C@H](O)C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000931611886 661492662 /nfs/dbraw/zinc/49/26/62/661492662.db2.gz NFIPJXVFHOOBMH-LJQANCHMSA-N 2 1 316.489 3.369 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOC1CCSCC1 ZINC000931701936 661499764 /nfs/dbraw/zinc/49/97/64/661499764.db2.gz GRGZFUCEIWIDNL-UHFFFAOYSA-N 2 1 314.539 3.097 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC000931765406 661506110 /nfs/dbraw/zinc/50/61/10/661506110.db2.gz WYWUBTWNXZMDTQ-SJLPKXTDSA-N 2 1 315.461 3.084 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191206 661546909 /nfs/dbraw/zinc/54/69/09/661546909.db2.gz KXZPEJNBDXFZPJ-GJZGRUSLSA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191206 661546910 /nfs/dbraw/zinc/54/69/10/661546910.db2.gz KXZPEJNBDXFZPJ-GJZGRUSLSA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191206 661546911 /nfs/dbraw/zinc/54/69/11/661546911.db2.gz KXZPEJNBDXFZPJ-GJZGRUSLSA-N 2 1 319.518 3.296 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCC[NH3+])cc2)C1 ZINC000155440526 661847189 /nfs/dbraw/zinc/84/71/89/661847189.db2.gz RFMVCXWHJVVQST-INIZCTEOSA-N 2 1 317.477 3.376 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@H](C)C1 ZINC000157100892 661866003 /nfs/dbraw/zinc/86/60/03/661866003.db2.gz GOQXMOYEHWCGSP-GDBMZVCRSA-N 2 1 315.461 3.039 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000189014504 661959217 /nfs/dbraw/zinc/95/92/17/661959217.db2.gz YNHSOCXAVYPHHT-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464033 662320340 /nfs/dbraw/zinc/32/03/40/662320340.db2.gz IPSHTKMIQRIVFL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464033 662320341 /nfs/dbraw/zinc/32/03/41/662320341.db2.gz IPSHTKMIQRIVFL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464033 662320342 /nfs/dbraw/zinc/32/03/42/662320342.db2.gz IPSHTKMIQRIVFL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464033 662320344 /nfs/dbraw/zinc/32/03/44/662320344.db2.gz IPSHTKMIQRIVFL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC000261970109 685122499 /nfs/dbraw/zinc/12/24/99/685122499.db2.gz YVZUUAJMNOXLOV-IAOVAPTHSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC000261970109 685122501 /nfs/dbraw/zinc/12/25/01/685122501.db2.gz YVZUUAJMNOXLOV-IAOVAPTHSA-N 2 1 315.392 3.040 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2CCCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380911948 685153564 /nfs/dbraw/zinc/15/35/64/685153564.db2.gz NAPYONHWOLRKBH-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000380950004 685154021 /nfs/dbraw/zinc/15/40/21/685154021.db2.gz QOVJFJRNYDKBPQ-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386048716 685176270 /nfs/dbraw/zinc/17/62/70/685176270.db2.gz UZJVSDRYVHFTRL-IHPCNDPISA-N 2 1 315.505 3.019 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc4ccccc43)CC[C@H]21 ZINC000391830398 685212762 /nfs/dbraw/zinc/21/27/62/685212762.db2.gz CZALPDRWGRWTOA-UIFIKXQLSA-N 2 1 324.468 3.289 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396936984 685228796 /nfs/dbraw/zinc/22/87/96/685228796.db2.gz ZPIMBBSBLWUDIU-PKOBYXMFSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@]1(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCC[NH2+]C1 ZINC001576500629 1191832365 /nfs/dbraw/zinc/83/23/65/1191832365.db2.gz KHCVSELVGWLJKQ-RTBURBONSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@@]1(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCC[NH2+]C1 ZINC001576500629 1191832378 /nfs/dbraw/zinc/83/23/78/1191832378.db2.gz KHCVSELVGWLJKQ-RTBURBONSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1C(=O)OC(C)(C)C ZINC001576731589 1191865908 /nfs/dbraw/zinc/86/59/08/1191865908.db2.gz MKMDBRATMOFUQI-LUKYLMHMSA-N 2 1 324.509 3.051 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC001576849859 1191871322 /nfs/dbraw/zinc/87/13/22/1191871322.db2.gz LYJKWOOOGGIACP-IACUBPJLSA-N 2 1 317.864 3.266 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001576939183 1191876224 /nfs/dbraw/zinc/87/62/24/1191876224.db2.gz QEJHIZZYCPZRLY-IAGOWNOFSA-N 2 1 305.466 3.017 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001576939183 1191876228 /nfs/dbraw/zinc/87/62/28/1191876228.db2.gz QEJHIZZYCPZRLY-IAGOWNOFSA-N 2 1 305.466 3.017 20 0 DGADMP CC[C@](C)(O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001576959021 1191877787 /nfs/dbraw/zinc/87/77/87/1191877787.db2.gz BAKJYIFOVUJUMT-HKUYNNGSSA-N 2 1 304.478 3.039 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](c2ccc(OC)cc2)[C@H](N)C1 ZINC001577043492 1191881475 /nfs/dbraw/zinc/88/14/75/1191881475.db2.gz HPOZTYUJWROOLO-UHOFOFEASA-N 2 1 312.404 3.103 20 0 DGADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@H](N)C1 ZINC001577043492 1191881476 /nfs/dbraw/zinc/88/14/76/1191881476.db2.gz HPOZTYUJWROOLO-UHOFOFEASA-N 2 1 312.404 3.103 20 0 DGADMP CC[C@@H]1CCCC[C@H]1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001577249504 1191889570 /nfs/dbraw/zinc/88/95/70/1191889570.db2.gz IOPFEOZDXADJON-BWPNAZKDSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249504 1191889573 /nfs/dbraw/zinc/88/95/73/1191889573.db2.gz IOPFEOZDXADJON-BWPNAZKDSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249504 1191889575 /nfs/dbraw/zinc/88/95/75/1191889575.db2.gz IOPFEOZDXADJON-BWPNAZKDSA-N 2 1 319.537 3.103 20 0 DGADMP CCCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ncsc2C1 ZINC001577454572 1191903307 /nfs/dbraw/zinc/90/33/07/1191903307.db2.gz JHOHHEGVMLVUEG-HNNXBMFYSA-N 2 1 307.507 3.102 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)c(C)c1 ZINC001577586559 1191908501 /nfs/dbraw/zinc/90/85/01/1191908501.db2.gz WVMBNHLRMOQFRJ-ZDUSSCGKSA-N 2 1 304.356 3.153 20 0 DGADMP CC[N@H+](Cc1cccc(Br)c1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577738144 1191914423 /nfs/dbraw/zinc/91/44/23/1191914423.db2.gz KVTPHINPJIEENJ-DZGCQCFKSA-N 2 1 311.267 3.398 20 0 DGADMP CCOCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC001578121803 1191927208 /nfs/dbraw/zinc/92/72/08/1191927208.db2.gz FHPPMAVULCLNJU-SFHVURJKSA-N 2 1 306.450 3.057 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1 ZINC001578908592 1191961065 /nfs/dbraw/zinc/96/10/65/1191961065.db2.gz AKGXFBZVUKBRKP-IAGOWNOFSA-N 2 1 308.853 3.103 20 0 DGADMP COCC[C@@H]([NH3+])C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC001579001022 1191963844 /nfs/dbraw/zinc/96/38/44/1191963844.db2.gz DZLLBAMXSNQWDI-RHSMWYFYSA-N 2 1 304.434 3.392 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001578970306 1191964267 /nfs/dbraw/zinc/96/42/67/1191964267.db2.gz QRZGQYGGLRXCNY-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001578970306 1191964268 /nfs/dbraw/zinc/96/42/68/1191964268.db2.gz QRZGQYGGLRXCNY-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccccc1Oc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC001579316756 1191973667 /nfs/dbraw/zinc/97/36/67/1191973667.db2.gz ZEILMIUDDYNWSJ-UHFFFAOYSA-N 2 1 300.402 3.314 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579307179 1191973862 /nfs/dbraw/zinc/97/38/62/1191973862.db2.gz OCRPVDLIKBDEQN-ZMSDIMECSA-N 2 1 320.502 3.303 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@H](C)O1 ZINC001579492687 1191978164 /nfs/dbraw/zinc/97/81/64/1191978164.db2.gz SJEPLKVEWOWXOU-UJYOZEIHSA-N 2 1 320.452 3.064 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC001579708575 1191988174 /nfs/dbraw/zinc/98/81/74/1191988174.db2.gz ZYSFMCBQRNDESQ-QWFCFKBJSA-N 2 1 315.505 3.284 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001579740087 1191990379 /nfs/dbraw/zinc/99/03/79/1191990379.db2.gz HHSRPJKSUQSNFG-JXFKEZNVSA-N 2 1 310.441 3.101 20 0 DGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001579740087 1191990381 /nfs/dbraw/zinc/99/03/81/1191990381.db2.gz HHSRPJKSUQSNFG-JXFKEZNVSA-N 2 1 310.441 3.101 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[NH2+]C(C)C ZINC001579886008 1191997876 /nfs/dbraw/zinc/99/78/76/1191997876.db2.gz BCDWLIOVYKKLEM-UHFFFAOYSA-N 2 1 320.868 3.312 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC001579926441 1191998896 /nfs/dbraw/zinc/99/88/96/1191998896.db2.gz CFTPIWKAVGMMMC-CHWSQXEVSA-N 2 1 305.447 3.319 20 0 DGADMP Cc1sc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1Br ZINC001579933939 1191999301 /nfs/dbraw/zinc/99/93/01/1191999301.db2.gz COTBODWGGIIRLH-LBPRGKRZSA-N 2 1 303.269 3.036 20 0 DGADMP Clc1ccccc1N1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001579938511 1191999899 /nfs/dbraw/zinc/99/98/99/1191999899.db2.gz IQNPOBCLQYJVPA-MRXNPFEDSA-N 2 1 321.896 3.242 20 0 DGADMP FC1(F)CC[C@H](C[N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C1 ZINC001580023980 1192003237 /nfs/dbraw/zinc/00/32/37/1192003237.db2.gz MABAKOXNYBMLRY-AWEZNQCLSA-N 2 1 309.404 3.071 20 0 DGADMP Fc1cccc(F)c1-c1ncc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC001580033220 1192003982 /nfs/dbraw/zinc/00/39/82/1192003982.db2.gz CVPWTCZJRPDBPV-UHFFFAOYSA-N 2 1 323.412 3.320 20 0 DGADMP [NH3+][C@@H](CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccccc1 ZINC001580121208 1192007975 /nfs/dbraw/zinc/00/79/75/1192007975.db2.gz MHJWZHMGKXWNGU-SFHVURJKSA-N 2 1 321.424 3.193 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC001580215075 1192014324 /nfs/dbraw/zinc/01/43/24/1192014324.db2.gz BXGJCWCTNVOCAO-XUVXKRRUSA-N 2 1 314.473 3.351 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C1CCCCC1 ZINC001580228979 1192015153 /nfs/dbraw/zinc/01/51/53/1192015153.db2.gz IWIDFPAKOANKPA-CYBMUJFWSA-N 2 1 312.360 3.005 20 0 DGADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CCCC1 ZINC001580228759 1192015276 /nfs/dbraw/zinc/01/52/76/1192015276.db2.gz FBFPGTXPNMEUCE-HUUCEWRRSA-N 2 1 317.260 3.134 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC001580342911 1192022912 /nfs/dbraw/zinc/02/29/12/1192022912.db2.gz OAEYHAFOLPBFLI-SFHVURJKSA-N 2 1 324.424 3.254 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC001580876836 1192043460 /nfs/dbraw/zinc/04/34/60/1192043460.db2.gz WXFNQXKRPRDKPB-RCCFBDPRSA-N 2 1 320.477 3.337 20 0 DGADMP Oc1ccc(C[C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001580888692 1192044133 /nfs/dbraw/zinc/04/41/33/1192044133.db2.gz WAEWMEDVHNUSQE-MSOLQXFVSA-N 2 1 302.462 3.179 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 ZINC001620704348 1192070387 /nfs/dbraw/zinc/07/03/87/1192070387.db2.gz HXKPFDKBKSUNHO-UHFFFAOYSA-N 2 1 318.490 3.111 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000395179445 1176784750 /nfs/dbraw/zinc/78/47/50/1176784750.db2.gz HATNINGBFCEJKP-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000395179445 1176784757 /nfs/dbraw/zinc/78/47/57/1176784757.db2.gz HATNINGBFCEJKP-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP C[NH2+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000387219200 1177458486 /nfs/dbraw/zinc/45/84/86/1177458486.db2.gz HGPKWQIFHTUWRH-HNNXBMFYSA-N 2 1 301.409 3.338 20 0 DGADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c2cccnc12 ZINC000387219200 1177458502 /nfs/dbraw/zinc/45/85/02/1177458502.db2.gz HGPKWQIFHTUWRH-HNNXBMFYSA-N 2 1 301.409 3.338 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964646 1178322912 /nfs/dbraw/zinc/32/29/12/1178322912.db2.gz JRGNKVRNCCKVMF-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964646 1178322921 /nfs/dbraw/zinc/32/29/21/1178322921.db2.gz JRGNKVRNCCKVMF-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)CCCCCC[NH3+])cc1Cl ZINC001332092795 1178356920 /nfs/dbraw/zinc/35/69/20/1178356920.db2.gz BSGQLNPHVKLUEK-UHFFFAOYSA-N 2 1 311.857 3.249 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cc1Cl ZINC001332094282 1178358141 /nfs/dbraw/zinc/35/81/41/1178358141.db2.gz GHCKCPOOZPEWCS-INIZCTEOSA-N 2 1 323.868 3.248 20 0 DGADMP C[C@H]1CCc2nc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)sc2C1 ZINC001332235985 1178401057 /nfs/dbraw/zinc/40/10/57/1178401057.db2.gz ASKYISONBXITFF-STQMWFEESA-N 2 1 307.507 3.136 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001332360124 1178428052 /nfs/dbraw/zinc/42/80/52/1178428052.db2.gz RBDKQYBGDNYQPG-LSDHHAIUSA-N 2 1 321.896 3.228 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001332360117 1178428207 /nfs/dbraw/zinc/42/82/07/1178428207.db2.gz RBDKQYBGDNYQPG-HUUCEWRRSA-N 2 1 321.896 3.228 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])sc2C1 ZINC001332556649 1178462250 /nfs/dbraw/zinc/46/22/50/1178462250.db2.gz RKMLDECRMAFHLW-VNHYZAJKSA-N 2 1 307.507 3.217 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])sc2C1 ZINC001332556649 1178462252 /nfs/dbraw/zinc/46/22/52/1178462252.db2.gz RKMLDECRMAFHLW-VNHYZAJKSA-N 2 1 307.507 3.217 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]CCc2ccncc2)cc1 ZINC001332845059 1178507744 /nfs/dbraw/zinc/50/77/44/1178507744.db2.gz TZEFTIGSRUBLGF-WCRBZPEASA-N 2 1 321.468 3.124 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)OCC ZINC001332980198 1178534021 /nfs/dbraw/zinc/53/40/21/1178534021.db2.gz FXCBPSSNFKMLIW-CABCVRRESA-N 2 1 320.414 3.105 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)noc1CC ZINC001332989981 1178535195 /nfs/dbraw/zinc/53/51/95/1178535195.db2.gz GMQZMAJWQANSDL-UHFFFAOYSA-N 2 1 304.438 3.217 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)noc1CC ZINC001332989981 1178535202 /nfs/dbraw/zinc/53/52/02/1178535202.db2.gz GMQZMAJWQANSDL-UHFFFAOYSA-N 2 1 304.438 3.217 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@@H]2C1 ZINC001333840799 1178683048 /nfs/dbraw/zinc/68/30/48/1178683048.db2.gz IGUPFQATTGOERC-CWRNSKLLSA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2C1 ZINC001333842463 1178683206 /nfs/dbraw/zinc/68/32/06/1178683206.db2.gz RRHKARIDXBSYQO-CMKODMSKSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@H]2C1 ZINC001333892435 1178691999 /nfs/dbraw/zinc/69/19/99/1178691999.db2.gz RGIVBYGZSRWXJM-ARFHVFGLSA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC001335133064 1178857766 /nfs/dbraw/zinc/85/77/66/1178857766.db2.gz CZIHTLOHECPQQG-ZIFCJYIRSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3F)C[C@H]2C1 ZINC001335133178 1178859242 /nfs/dbraw/zinc/85/92/42/1178859242.db2.gz DEACNJACTWVFQR-ZMSDIMECSA-N 2 1 308.416 3.169 20 0 DGADMP COC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001335382606 1178902835 /nfs/dbraw/zinc/90/28/35/1178902835.db2.gz PHESHUYRWSIFDY-FCEWJHQRSA-N 2 1 302.462 3.010 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001335393267 1178904161 /nfs/dbraw/zinc/90/41/61/1178904161.db2.gz ITJJKLKZAFOCIU-OHRKKDJYSA-N 2 1 304.482 3.222 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001335393267 1178904170 /nfs/dbraw/zinc/90/41/70/1178904170.db2.gz ITJJKLKZAFOCIU-OHRKKDJYSA-N 2 1 304.482 3.222 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC001335581807 1178932540 /nfs/dbraw/zinc/93/25/40/1178932540.db2.gz FVWNYDHQAMQRJZ-NZSAHSFTSA-N 2 1 309.457 3.397 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1C ZINC001335583933 1178933362 /nfs/dbraw/zinc/93/33/62/1178933362.db2.gz SWLINLKVWXZERH-OKZBNKHCSA-N 2 1 318.509 3.072 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC001335896717 1178968799 /nfs/dbraw/zinc/96/87/99/1178968799.db2.gz HWBZPRORTIQHEN-HXUWFJFHSA-N 2 1 321.424 3.312 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001335935454 1178973266 /nfs/dbraw/zinc/97/32/66/1178973266.db2.gz YCHHVWJSPGKBCI-QHGAOEGBSA-N 2 1 316.489 3.007 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC001644635590 1195122256 /nfs/dbraw/zinc/12/22/56/1195122256.db2.gz HHZJLBMWQTXJPJ-QYZOEREBSA-N 2 1 310.526 3.491 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC001644635590 1195122258 /nfs/dbraw/zinc/12/22/58/1195122258.db2.gz HHZJLBMWQTXJPJ-QYZOEREBSA-N 2 1 310.526 3.491 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC001644635590 1195122259 /nfs/dbraw/zinc/12/22/59/1195122259.db2.gz HHZJLBMWQTXJPJ-QYZOEREBSA-N 2 1 310.526 3.491 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)/C=C/c1ccccc1 ZINC001351194380 1180184514 /nfs/dbraw/zinc/18/45/14/1180184514.db2.gz CQCGBRPJKZDDFN-BQYQJAHWSA-N 2 1 304.353 3.228 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315770 1180198455 /nfs/dbraw/zinc/19/84/55/1180198455.db2.gz RODHASCBYQUBRW-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315770 1180198460 /nfs/dbraw/zinc/19/84/60/1180198460.db2.gz RODHASCBYQUBRW-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP Cn1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc2ccccc21 ZINC001352112033 1180297549 /nfs/dbraw/zinc/29/75/49/1180297549.db2.gz LAJLQPVLYJSWFS-RCCFBDPRSA-N 2 1 311.473 3.340 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)ccc2O1 ZINC001352113138 1180298018 /nfs/dbraw/zinc/29/80/18/1180298018.db2.gz PYEKWSBYYBEGKI-IWKCEXAMSA-N 2 1 314.473 3.172 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001200244306 1180480518 /nfs/dbraw/zinc/48/05/18/1180480518.db2.gz RHMVSCCCTDZPJV-IEBWSBKVSA-N 2 1 309.542 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001200822550 1180939559 /nfs/dbraw/zinc/93/95/59/1180939559.db2.gz ULCZVKOSZPTZDX-QZTJIDSGSA-N 2 1 302.462 3.438 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[nH+]c4ccsc43)C[C@H]2C1 ZINC001355363737 1181044266 /nfs/dbraw/zinc/04/42/66/1181044266.db2.gz QTJWQNJFDYMHAR-MGPQQGTHSA-N 2 1 301.459 3.463 20 0 DGADMP CC(C)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC001459306475 1182578981 /nfs/dbraw/zinc/57/89/81/1182578981.db2.gz MDHZUFDAFNJWPF-UHFFFAOYSA-N 2 1 304.478 3.385 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC001459306475 1182578983 /nfs/dbraw/zinc/57/89/83/1182578983.db2.gz MDHZUFDAFNJWPF-UHFFFAOYSA-N 2 1 304.478 3.385 20 0 DGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459902995 1182628424 /nfs/dbraw/zinc/62/84/24/1182628424.db2.gz JMDNTRFRAJBDQE-HSALFYBXSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459902995 1182628428 /nfs/dbraw/zinc/62/84/28/1182628428.db2.gz JMDNTRFRAJBDQE-HSALFYBXSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001460340868 1182680438 /nfs/dbraw/zinc/68/04/38/1182680438.db2.gz IUZVEXLMHJZTHR-KRWDZBQOSA-N 2 1 324.509 3.449 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001460340868 1182680443 /nfs/dbraw/zinc/68/04/43/1182680443.db2.gz IUZVEXLMHJZTHR-KRWDZBQOSA-N 2 1 324.509 3.449 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC[C@@H]2CCOC2)CC1 ZINC001460627758 1182702486 /nfs/dbraw/zinc/70/24/86/1182702486.db2.gz QZVBJHDKDPPFLD-RTBURBONSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CC[C@@](CO)([NH2+]CCC[NH+]2CCCCC2)c2ccccc21 ZINC001460952273 1182745795 /nfs/dbraw/zinc/74/57/95/1182745795.db2.gz UMYCJJRYZUDMAE-XLIONFOSSA-N 2 1 316.489 3.237 20 0 DGADMP CC[N@@H+]1CCC[C@@H]1CNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001460989230 1182752368 /nfs/dbraw/zinc/75/23/68/1182752368.db2.gz LJWVNUMFYIJSII-OAHLLOKOSA-N 2 1 300.450 3.032 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001460989230 1182752372 /nfs/dbraw/zinc/75/23/72/1182752372.db2.gz LJWVNUMFYIJSII-OAHLLOKOSA-N 2 1 300.450 3.032 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C2 ZINC001461007066 1182754997 /nfs/dbraw/zinc/75/49/97/1182754997.db2.gz LOTWADQVIAUHNG-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP CC(C)[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Nc1ccccc1 ZINC001461019470 1182756949 /nfs/dbraw/zinc/75/69/49/1182756949.db2.gz QFBGSJMYXKTLEO-GOSISDBHSA-N 2 1 312.461 3.374 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001461058099 1182763312 /nfs/dbraw/zinc/76/33/12/1182763312.db2.gz VXJPSAJQFDABKD-APWZRJJASA-N 2 1 302.462 3.117 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sccc2C)[C@@H](C)C1 ZINC001461206031 1182782373 /nfs/dbraw/zinc/78/23/73/1182782373.db2.gz IPRFUIYKGQYUEM-JKSUJKDBSA-N 2 1 310.507 3.283 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001461232719 1182783215 /nfs/dbraw/zinc/78/32/15/1182783215.db2.gz QCJJWEMWDFQJAO-UHFFFAOYSA-N 2 1 310.401 3.015 20 0 DGADMP c1cn2c(cccc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001461268345 1182789468 /nfs/dbraw/zinc/78/94/68/1182789468.db2.gz XRRJUZGAHYUWOX-UHFFFAOYSA-N 2 1 312.461 3.221 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001461484993 1182819141 /nfs/dbraw/zinc/81/91/41/1182819141.db2.gz UEMRNLSTGLPKGN-IKGGRYGDSA-N 2 1 312.498 3.208 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C2 ZINC001461487486 1182819249 /nfs/dbraw/zinc/81/92/49/1182819249.db2.gz KHXMYXKKXSVELR-NVXWUHKLSA-N 2 1 304.478 3.261 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C2 ZINC001461487486 1182819255 /nfs/dbraw/zinc/81/92/55/1182819255.db2.gz KHXMYXKKXSVELR-NVXWUHKLSA-N 2 1 304.478 3.261 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC001461567570 1182827979 /nfs/dbraw/zinc/82/79/79/1182827979.db2.gz INSYPFMAUOTRJZ-MRXNPFEDSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC001461567570 1182827990 /nfs/dbraw/zinc/82/79/90/1182827990.db2.gz INSYPFMAUOTRJZ-MRXNPFEDSA-N 2 1 304.478 3.480 20 0 DGADMP CCOc1c(Cl)cccc1CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001461827263 1182863726 /nfs/dbraw/zinc/86/37/26/1182863726.db2.gz GMRPYRDBHXPSOJ-OFQRWUPVSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001461827263 1182863730 /nfs/dbraw/zinc/86/37/30/1182863730.db2.gz GMRPYRDBHXPSOJ-OFQRWUPVSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001461827263 1182863737 /nfs/dbraw/zinc/86/37/37/1182863737.db2.gz GMRPYRDBHXPSOJ-OFQRWUPVSA-N 2 1 308.853 3.169 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cscc3C(F)(F)F)[C@H]2C1 ZINC001461829624 1182864601 /nfs/dbraw/zinc/86/46/01/1182864601.db2.gz MPKFFLMYTXAUGJ-XHVZSJERSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cscc3C(F)(F)F)[C@H]2C1 ZINC001461829624 1182864612 /nfs/dbraw/zinc/86/46/12/1182864612.db2.gz MPKFFLMYTXAUGJ-XHVZSJERSA-N 2 1 304.381 3.197 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c(Br)c1 ZINC001461830775 1182865687 /nfs/dbraw/zinc/86/56/87/1182865687.db2.gz OWOBKJLHQDTCKF-IJEWVQPXSA-N 2 1 323.278 3.187 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c(Br)c1 ZINC001461830775 1182865692 /nfs/dbraw/zinc/86/56/92/1182865692.db2.gz OWOBKJLHQDTCKF-IJEWVQPXSA-N 2 1 323.278 3.187 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001461868082 1182866863 /nfs/dbraw/zinc/86/68/63/1182866863.db2.gz XSJBCWICESTYAB-QAPCUYQASA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001461868082 1182866868 /nfs/dbraw/zinc/86/68/68/1182866868.db2.gz XSJBCWICESTYAB-QAPCUYQASA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001461868082 1182866872 /nfs/dbraw/zinc/86/68/72/1182866872.db2.gz XSJBCWICESTYAB-QAPCUYQASA-N 2 1 308.416 3.314 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001461868087 1182868074 /nfs/dbraw/zinc/86/80/74/1182868074.db2.gz XSJBCWICESTYAB-YJBOKZPZSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001461868087 1182868082 /nfs/dbraw/zinc/86/80/82/1182868082.db2.gz XSJBCWICESTYAB-YJBOKZPZSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001461868087 1182868091 /nfs/dbraw/zinc/86/80/91/1182868091.db2.gz XSJBCWICESTYAB-YJBOKZPZSA-N 2 1 308.416 3.314 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462199274 1182922280 /nfs/dbraw/zinc/92/22/80/1182922280.db2.gz HAYJALZMPJNLRR-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462199274 1182922285 /nfs/dbraw/zinc/92/22/85/1182922285.db2.gz HAYJALZMPJNLRR-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC001462199274 1182922290 /nfs/dbraw/zinc/92/22/90/1182922290.db2.gz HAYJALZMPJNLRR-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001462199274 1182922295 /nfs/dbraw/zinc/92/22/95/1182922295.db2.gz HAYJALZMPJNLRR-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP COC1CC(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001462225916 1182926209 /nfs/dbraw/zinc/92/62/09/1182926209.db2.gz ODYNDTJAVYBSPA-MHJFOBGBSA-N 2 1 314.473 3.009 20 0 DGADMP COC1CC(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001462225916 1182926211 /nfs/dbraw/zinc/92/62/11/1182926211.db2.gz ODYNDTJAVYBSPA-MHJFOBGBSA-N 2 1 314.473 3.009 20 0 DGADMP COC1CC(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001462225916 1182926216 /nfs/dbraw/zinc/92/62/16/1182926216.db2.gz ODYNDTJAVYBSPA-MHJFOBGBSA-N 2 1 314.473 3.009 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462308881 1182936751 /nfs/dbraw/zinc/93/67/51/1182936751.db2.gz XVURGEOUZLIMLB-IMBTUZDBSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462308881 1182936756 /nfs/dbraw/zinc/93/67/56/1182936756.db2.gz XVURGEOUZLIMLB-IMBTUZDBSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470324 1182957482 /nfs/dbraw/zinc/95/74/82/1182957482.db2.gz JJYMCJDPLVCCPN-QFBILLFUSA-N 2 1 318.509 3.235 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470324 1182957484 /nfs/dbraw/zinc/95/74/84/1182957484.db2.gz JJYMCJDPLVCCPN-QFBILLFUSA-N 2 1 318.509 3.235 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001462653068 1182980335 /nfs/dbraw/zinc/98/03/35/1182980335.db2.gz KRWXVFSXAKHFEU-PKOBYXMFSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001462653063 1182981001 /nfs/dbraw/zinc/98/10/01/1182981001.db2.gz KRWXVFSXAKHFEU-MJGOQNOKSA-N 2 1 321.553 3.351 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(CC)(CC)c1ccc(Cl)cc1 ZINC001473225273 1183732092 /nfs/dbraw/zinc/73/20/92/1183732092.db2.gz MOEJKNIDFJBSBE-INIZCTEOSA-N 2 1 312.885 3.258 20 0 DGADMP C[C@@H]1[C@H](C)N(Cc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC001473326147 1183744341 /nfs/dbraw/zinc/74/43/41/1183744341.db2.gz CNIIYFNFRYHGEP-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C ZINC001473326147 1183744343 /nfs/dbraw/zinc/74/43/43/1183744343.db2.gz CNIIYFNFRYHGEP-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C ZINC001473326147 1183744345 /nfs/dbraw/zinc/74/43/45/1183744345.db2.gz CNIIYFNFRYHGEP-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001473368515 1183748738 /nfs/dbraw/zinc/74/87/38/1183748738.db2.gz BZWJNXUISZSYOF-XLIONFOSSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001473368515 1183748740 /nfs/dbraw/zinc/74/87/40/1183748740.db2.gz BZWJNXUISZSYOF-XLIONFOSSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[N@@H+](CCCC(=O)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683974 1183790277 /nfs/dbraw/zinc/79/02/77/1183790277.db2.gz WOWIDAPFTDOBIU-UHFFFAOYSA-N 2 1 312.498 3.351 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC001473692270 1183790347 /nfs/dbraw/zinc/79/03/47/1183790347.db2.gz ZPOQHZLWGBWBIW-QRFRQXIXSA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC001473692270 1183790352 /nfs/dbraw/zinc/79/03/52/1183790352.db2.gz ZPOQHZLWGBWBIW-QRFRQXIXSA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC001473692270 1183790355 /nfs/dbraw/zinc/79/03/55/1183790355.db2.gz ZPOQHZLWGBWBIW-QRFRQXIXSA-N 2 1 316.489 3.495 20 0 DGADMP COc1cccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001473738944 1183795632 /nfs/dbraw/zinc/79/56/32/1183795632.db2.gz CMSGJGRIRDXXBE-UHFFFAOYSA-N 2 1 304.478 3.495 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001473749181 1183797096 /nfs/dbraw/zinc/79/70/96/1183797096.db2.gz JERDQIUIAVWTDO-LJQANCHMSA-N 2 1 322.468 3.365 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473876232 1183816216 /nfs/dbraw/zinc/81/62/16/1183816216.db2.gz AMFYRZSJERQBEI-RBUKOAKNSA-N 2 1 318.509 3.166 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473876232 1183816223 /nfs/dbraw/zinc/81/62/23/1183816223.db2.gz AMFYRZSJERQBEI-RBUKOAKNSA-N 2 1 318.509 3.166 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OC ZINC001473968158 1183839815 /nfs/dbraw/zinc/83/98/15/1183839815.db2.gz LUBBMSYSXRYHFQ-LSDHHAIUSA-N 2 1 308.466 3.302 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473964651 1183839993 /nfs/dbraw/zinc/83/99/93/1183839993.db2.gz IKTLWKVHPWDSSK-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473964651 1183839997 /nfs/dbraw/zinc/83/99/97/1183839997.db2.gz IKTLWKVHPWDSSK-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473964996 1183840272 /nfs/dbraw/zinc/84/02/72/1183840272.db2.gz RPXCXYXZVHRYMB-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473964996 1183840277 /nfs/dbraw/zinc/84/02/77/1183840277.db2.gz RPXCXYXZVHRYMB-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316599 1183903984 /nfs/dbraw/zinc/90/39/84/1183903984.db2.gz CKLBOBOAWYJFOK-RHSMWYFYSA-N 2 1 307.457 3.196 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC001474415395 1183918543 /nfs/dbraw/zinc/91/85/43/1183918543.db2.gz RHNWGEPIOPMMAX-UHFFFAOYSA-N 2 1 310.869 3.383 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001474488131 1183928947 /nfs/dbraw/zinc/92/89/47/1183928947.db2.gz YXASTLRXYPHFKX-UYAOXDASSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC001474630276 1183952119 /nfs/dbraw/zinc/95/21/19/1183952119.db2.gz HKTSPQXJBJDYHG-ZACQAIPSSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001499840972 1185705173 /nfs/dbraw/zinc/70/51/73/1185705173.db2.gz OOIQTUVOBABODI-IRXDYDNUSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001506556469 1186245973 /nfs/dbraw/zinc/24/59/73/1186245973.db2.gz FUWYMRAGSKVVDJ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001506556469 1186245977 /nfs/dbraw/zinc/24/59/77/1186245977.db2.gz FUWYMRAGSKVVDJ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001506556469 1186245980 /nfs/dbraw/zinc/24/59/80/1186245980.db2.gz FUWYMRAGSKVVDJ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308122 1193535037 /nfs/dbraw/zinc/53/50/37/1193535037.db2.gz BRPIKHQJSMRHQB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308122 1193535038 /nfs/dbraw/zinc/53/50/38/1193535038.db2.gz BRPIKHQJSMRHQB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001616308122 1193535039 /nfs/dbraw/zinc/53/50/39/1193535039.db2.gz BRPIKHQJSMRHQB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001616308122 1193535040 /nfs/dbraw/zinc/53/50/40/1193535040.db2.gz BRPIKHQJSMRHQB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346099 1193535996 /nfs/dbraw/zinc/53/59/96/1193535996.db2.gz HAFORSDKYMXKCH-OALUTQOASA-N 2 1 308.510 3.266 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346099 1193535997 /nfs/dbraw/zinc/53/59/97/1193535997.db2.gz HAFORSDKYMXKCH-OALUTQOASA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346099 1193536000 /nfs/dbraw/zinc/53/60/00/1193536000.db2.gz HAFORSDKYMXKCH-OALUTQOASA-N 2 1 308.510 3.266 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CCC1CCCCC1)C1CC1 ZINC001616346099 1193536003 /nfs/dbraw/zinc/53/60/03/1193536003.db2.gz HAFORSDKYMXKCH-OALUTQOASA-N 2 1 308.510 3.266 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549087587 1188493030 /nfs/dbraw/zinc/49/30/30/1188493030.db2.gz SPIYVGCXPVDZAN-XLIONFOSSA-N 2 1 324.472 3.050 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC001549114125 1188496315 /nfs/dbraw/zinc/49/63/15/1188496315.db2.gz BLCPYNJXUIHGOS-KBXCAEBGSA-N 2 1 315.392 3.042 20 0 DGADMP C[C@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CC1CC[NH2+]CC1 ZINC001549285468 1188510001 /nfs/dbraw/zinc/51/00/01/1188510001.db2.gz BIKAHEQBFOSCTC-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2[C@H](c3ccccc3)C2(C)C)s1 ZINC001549545292 1188526002 /nfs/dbraw/zinc/52/60/02/1188526002.db2.gz FYBJZMYSROAPGP-IRXDYDNUSA-N 2 1 315.486 3.487 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC001549710525 1188534895 /nfs/dbraw/zinc/53/48/95/1188534895.db2.gz WNFMHQRBZPHUQD-ZIAGYGMSSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC001549710525 1188534897 /nfs/dbraw/zinc/53/48/97/1188534897.db2.gz WNFMHQRBZPHUQD-ZIAGYGMSSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC001549710521 1188534911 /nfs/dbraw/zinc/53/49/11/1188534911.db2.gz WNFMHQRBZPHUQD-UONOGXRCSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC001549710521 1188534913 /nfs/dbraw/zinc/53/49/13/1188534913.db2.gz WNFMHQRBZPHUQD-UONOGXRCSA-N 2 1 313.367 3.064 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001549775114 1188540738 /nfs/dbraw/zinc/54/07/38/1188540738.db2.gz LCSRJMXVPRYCOA-IAGOWNOFSA-N 2 1 308.853 3.244 20 0 DGADMP C[N@@H+]1C[C@H](C[NH2+][C@@H]2CCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001550242845 1188597035 /nfs/dbraw/zinc/59/70/35/1188597035.db2.gz ISMALMNNVUKDDZ-IPMKNSEASA-N 2 1 307.441 3.004 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@@H]2CCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001550242845 1188597037 /nfs/dbraw/zinc/59/70/37/1188597037.db2.gz ISMALMNNVUKDDZ-IPMKNSEASA-N 2 1 307.441 3.004 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)oc1C ZINC001550351025 1188609061 /nfs/dbraw/zinc/60/90/61/1188609061.db2.gz HUICGTHPSQAHNW-SWOJGRPISA-N 2 1 320.477 3.027 20 0 DGADMP CCC1CCC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550352253 1188609293 /nfs/dbraw/zinc/60/92/93/1188609293.db2.gz NORJFEDDXONSJW-RBLTYPPMSA-N 2 1 308.510 3.025 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550351175 1188609398 /nfs/dbraw/zinc/60/93/98/1188609398.db2.gz JEHWIEQPBXHNDC-ZDNSCYFHSA-N 2 1 316.489 3.125 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3C[C@H]4CCC[C@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550351386 1188609474 /nfs/dbraw/zinc/60/94/74/1188609474.db2.gz KEPUCELXDBETEE-SXJNSPEGSA-N 2 1 320.521 3.025 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O)c1ccsc1 ZINC001550354113 1188610120 /nfs/dbraw/zinc/61/01/20/1188610120.db2.gz UNYYBWSPVYLUPK-ADHGMGHFSA-N 2 1 322.518 3.269 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3cccs3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353273 1188610181 /nfs/dbraw/zinc/61/01/81/1188610181.db2.gz KXTDYDURMNUYOT-CRCOGDFISA-N 2 1 322.518 3.269 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)C[C@H]2C1 ZINC001550540425 1188622985 /nfs/dbraw/zinc/62/29/85/1188622985.db2.gz DBRFYXNIKWYDJJ-SJLPKXTDSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)C[C@H]2C1 ZINC001550540425 1188622987 /nfs/dbraw/zinc/62/29/87/1188622987.db2.gz DBRFYXNIKWYDJJ-SJLPKXTDSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@H]2C1 ZINC001550540425 1188622990 /nfs/dbraw/zinc/62/29/90/1188622990.db2.gz DBRFYXNIKWYDJJ-SJLPKXTDSA-N 2 1 323.440 3.257 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CC(F)(F)CO2)C1)C1CCCC1 ZINC001550702199 1188642925 /nfs/dbraw/zinc/64/29/25/1188642925.db2.gz JBYGMWQPRQTTAZ-VNQPRFMTSA-N 2 1 316.436 3.030 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC001551385197 1188734333 /nfs/dbraw/zinc/73/43/33/1188734333.db2.gz MIGBQIFGESCNMM-OWCLPIDISA-N 2 1 303.450 3.138 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCC(O)CC1 ZINC001552061309 1188814254 /nfs/dbraw/zinc/81/42/54/1188814254.db2.gz ZUGLHVAEBAEXLU-UHFFFAOYSA-N 2 1 316.489 3.408 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC001552210610 1188824949 /nfs/dbraw/zinc/82/49/49/1188824949.db2.gz CKPIRUOAYPWHLE-NEWSRXKRSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H](O)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001552215935 1188825550 /nfs/dbraw/zinc/82/55/50/1188825550.db2.gz QGFSGUJRPYKDAJ-APWZRJJASA-N 2 1 302.462 3.018 20 0 DGADMP OCCC1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001552339398 1188837709 /nfs/dbraw/zinc/83/77/09/1188837709.db2.gz LOMBAWSSJRYGRO-FYOYPEGLSA-N 2 1 302.462 3.011 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001552895202 1188881163 /nfs/dbraw/zinc/88/11/63/1188881163.db2.gz CEKXHJGFZQSKMT-YGDSSSOMSA-N 2 1 314.473 3.499 20 0 DGADMP CC(C)[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001552928698 1188882922 /nfs/dbraw/zinc/88/29/22/1188882922.db2.gz DMNTZEAMDDQOSE-IPMKNSEASA-N 2 1 314.473 3.022 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC001553023498 1188890247 /nfs/dbraw/zinc/89/02/47/1188890247.db2.gz QUEVSGFZFYOCIZ-OIISXLGYSA-N 2 1 324.415 3.197 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987729 1193588139 /nfs/dbraw/zinc/58/81/39/1193588139.db2.gz XHINXJKQMAGULA-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987729 1193588141 /nfs/dbraw/zinc/58/81/41/1193588141.db2.gz XHINXJKQMAGULA-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987730 1193588177 /nfs/dbraw/zinc/58/81/77/1193588177.db2.gz XHINXJKQMAGULA-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987730 1193588179 /nfs/dbraw/zinc/58/81/79/1193588179.db2.gz XHINXJKQMAGULA-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001553868854 1188952834 /nfs/dbraw/zinc/95/28/34/1188952834.db2.gz OEPYZTNGXONPIQ-MRXNPFEDSA-N 2 1 306.413 3.348 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696353 1189231541 /nfs/dbraw/zinc/23/15/41/1189231541.db2.gz VSAQSOWRFRSTPH-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP Clc1ccc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001559943619 1189259749 /nfs/dbraw/zinc/25/97/49/1189259749.db2.gz GVICIPRRJWNIAJ-UHFFFAOYSA-N 2 1 315.848 3.490 20 0 DGADMP CN(CC[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC001560048088 1189272451 /nfs/dbraw/zinc/27/24/51/1189272451.db2.gz FBVVNQWXSOMBGR-UHFFFAOYSA-N 2 1 301.478 3.073 20 0 DGADMP CCO[C@@H](C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001560069326 1189275192 /nfs/dbraw/zinc/27/51/92/1189275192.db2.gz PZFOIPDEOHPYEI-OALUTQOASA-N 2 1 308.510 3.388 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)CCC(C)(C)C ZINC001560099220 1189278163 /nfs/dbraw/zinc/27/81/63/1189278163.db2.gz FRWNLKYXVAMSOI-IBGZPJMESA-N 2 1 320.521 3.280 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)CCC(C)(C)C ZINC001560099220 1189278167 /nfs/dbraw/zinc/27/81/67/1189278167.db2.gz FRWNLKYXVAMSOI-IBGZPJMESA-N 2 1 320.521 3.280 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099220 1189278171 /nfs/dbraw/zinc/27/81/71/1189278171.db2.gz FRWNLKYXVAMSOI-IBGZPJMESA-N 2 1 320.521 3.280 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099220 1189278178 /nfs/dbraw/zinc/27/81/78/1189278178.db2.gz FRWNLKYXVAMSOI-IBGZPJMESA-N 2 1 320.521 3.280 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)CCC(C)(C)C ZINC001560099221 1189278678 /nfs/dbraw/zinc/27/86/78/1189278678.db2.gz FRWNLKYXVAMSOI-LJQANCHMSA-N 2 1 320.521 3.280 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)CCC(C)(C)C ZINC001560099221 1189278682 /nfs/dbraw/zinc/27/86/82/1189278682.db2.gz FRWNLKYXVAMSOI-LJQANCHMSA-N 2 1 320.521 3.280 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099221 1189278684 /nfs/dbraw/zinc/27/86/84/1189278684.db2.gz FRWNLKYXVAMSOI-LJQANCHMSA-N 2 1 320.521 3.280 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099221 1189278689 /nfs/dbraw/zinc/27/86/89/1189278689.db2.gz FRWNLKYXVAMSOI-LJQANCHMSA-N 2 1 320.521 3.280 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H]1CCCC[N@H+]1C(C)C ZINC001560217297 1189291735 /nfs/dbraw/zinc/29/17/35/1189291735.db2.gz HTVHNQAJDBDIIU-AQNXPRMDSA-N 2 1 321.553 3.444 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CCCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC001560261807 1189300898 /nfs/dbraw/zinc/30/08/98/1189300898.db2.gz UCWRXNBHSRZBPE-ZWKOTPCHSA-N 2 1 316.489 3.407 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001560319633 1189311038 /nfs/dbraw/zinc/31/10/38/1189311038.db2.gz QSWPXLCUYVRDFS-YQVWRLOYSA-N 2 1 303.494 3.142 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC001560326808 1189312149 /nfs/dbraw/zinc/31/21/49/1189312149.db2.gz LRWNWKGIIXFKHQ-CYBMUJFWSA-N 2 1 300.418 3.433 20 0 DGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001560336523 1189312827 /nfs/dbraw/zinc/31/28/27/1189312827.db2.gz RXVYRSFDKMCQNB-CEXWTWQISA-N 2 1 310.526 3.418 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001560665616 1189357071 /nfs/dbraw/zinc/35/70/71/1189357071.db2.gz DSTDUGGZWJQDTE-GOSISDBHSA-N 2 1 324.896 3.315 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001560665620 1189357270 /nfs/dbraw/zinc/35/72/70/1189357270.db2.gz DUNBXOWMDHAVPD-MRXNPFEDSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560665620 1189357273 /nfs/dbraw/zinc/35/72/73/1189357273.db2.gz DUNBXOWMDHAVPD-MRXNPFEDSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560665620 1189357278 /nfs/dbraw/zinc/35/72/78/1189357278.db2.gz DUNBXOWMDHAVPD-MRXNPFEDSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001560665620 1189357282 /nfs/dbraw/zinc/35/72/82/1189357282.db2.gz DUNBXOWMDHAVPD-MRXNPFEDSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001560665620 1189357288 /nfs/dbraw/zinc/35/72/88/1189357288.db2.gz DUNBXOWMDHAVPD-MRXNPFEDSA-N 2 1 315.486 3.460 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC001560728313 1189369234 /nfs/dbraw/zinc/36/92/34/1189369234.db2.gz OKPNZNGPNVLMGN-UHFFFAOYSA-N 2 1 324.472 3.384 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c(Cl)ccnc1Cl)C1CC1 ZINC001560873957 1189397191 /nfs/dbraw/zinc/39/71/91/1189397191.db2.gz HDCOKMYSCWGPRJ-UHFFFAOYSA-N 2 1 302.249 3.352 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948530 1189409875 /nfs/dbraw/zinc/40/98/75/1189409875.db2.gz ZHNVSXCSAFKBTG-WBVHZDCISA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948530 1189409877 /nfs/dbraw/zinc/40/98/77/1189409877.db2.gz ZHNVSXCSAFKBTG-WBVHZDCISA-N 2 1 318.461 3.010 20 0 DGADMP CCCCN(C(=O)[C@H]1CC[N@@H+]1CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001565642089 1189660908 /nfs/dbraw/zinc/66/09/08/1189660908.db2.gz UQKMFFLXBUXSTG-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCN(C(=O)[C@H]1CC[N@H+]1CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001565642089 1189660912 /nfs/dbraw/zinc/66/09/12/1189660912.db2.gz UQKMFFLXBUXSTG-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001566092495 1189731728 /nfs/dbraw/zinc/73/17/28/1189731728.db2.gz YIRIQCNGFOSIIQ-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001566092495 1189731729 /nfs/dbraw/zinc/73/17/29/1189731729.db2.gz YIRIQCNGFOSIIQ-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001566092495 1189731735 /nfs/dbraw/zinc/73/17/35/1189731735.db2.gz YIRIQCNGFOSIIQ-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001566425429 1189769829 /nfs/dbraw/zinc/76/98/29/1189769829.db2.gz QNBNHSPKSDIQOC-GOSISDBHSA-N 2 1 317.477 3.116 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566666440 1189849778 /nfs/dbraw/zinc/84/97/78/1189849778.db2.gz FROMCLCNGUBFLL-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566666440 1189849784 /nfs/dbraw/zinc/84/97/84/1189849784.db2.gz FROMCLCNGUBFLL-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566666440 1189849792 /nfs/dbraw/zinc/84/97/92/1189849792.db2.gz FROMCLCNGUBFLL-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001569450406 1190701059 /nfs/dbraw/zinc/70/10/59/1190701059.db2.gz DOHUEWIXFGADPF-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCCC1 ZINC001569450406 1190701062 /nfs/dbraw/zinc/70/10/62/1190701062.db2.gz DOHUEWIXFGADPF-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCCC1 ZINC001569450406 1190701065 /nfs/dbraw/zinc/70/10/65/1190701065.db2.gz DOHUEWIXFGADPF-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C([C@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001574801735 1191452992 /nfs/dbraw/zinc/45/29/92/1191452992.db2.gz VOGJNUILIXNJKC-QZTJIDSGSA-N 2 1 306.494 3.049 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001575116045 1191467302 /nfs/dbraw/zinc/46/73/02/1191467302.db2.gz OWXZGZVQIMHVGR-LJQANCHMSA-N 2 1 302.462 3.209 20 0 DGADMP CC(C)(C)c1ccc(C[C@@]2(C)CCC[N@H+]2C[C@@H](O)CC[NH3+])cc1 ZINC001575272237 1191471382 /nfs/dbraw/zinc/47/13/82/1191471382.db2.gz HKLVNFSHVQXUFO-AZUAARDMSA-N 2 1 318.505 3.091 20 0 DGADMP CC(C)([NH3+])c1cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)on1 ZINC001575365490 1191477039 /nfs/dbraw/zinc/47/70/39/1191477039.db2.gz JDWNLQVOWITVQB-INIZCTEOSA-N 2 1 313.445 3.323 20 0 DGADMP CC(C)[C@H]1[NH2+]CC12CC[NH+](Cc1csc(C3CC3)n1)CC2 ZINC001575521377 1191489209 /nfs/dbraw/zinc/48/92/09/1191489209.db2.gz CQJKQQBNPANHKC-OAHLLOKOSA-N 2 1 305.491 3.231 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC001575593628 1191495150 /nfs/dbraw/zinc/49/51/50/1191495150.db2.gz OAKKUFUCGDHDDQ-RTBURBONSA-N 2 1 322.468 3.207 20 0 DGADMP CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001575631867 1191497932 /nfs/dbraw/zinc/49/79/32/1191497932.db2.gz XGFZUCBHKXUWNH-CYBMUJFWSA-N 2 1 311.857 3.104 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@@]3(C[NH3+])CCCC[C@H]3C)cnc21 ZINC001575909162 1191515692 /nfs/dbraw/zinc/51/56/92/1191515692.db2.gz FMUAXBMMNLLWBL-RDTXWAMCSA-N 2 1 315.465 3.009 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001575921202 1191517159 /nfs/dbraw/zinc/51/71/59/1191517159.db2.gz FIDWTQOEURCHFB-HPTBWKMGSA-N 2 1 323.868 3.033 20 0 DGADMP C[C@H](C[NH2+]CCCCC[NH+]1CCNCC1)CC1CCCCC1 ZINC001576032438 1191524152 /nfs/dbraw/zinc/52/41/52/1191524152.db2.gz CWFMTVBRBFFYDN-SFHVURJKSA-N 2 1 309.542 3.258 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001576052199 1191525172 /nfs/dbraw/zinc/52/51/72/1191525172.db2.gz IKWBSYDDKFWUTI-GFCCVEGCSA-N 2 1 305.397 3.071 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC001576119336 1191531116 /nfs/dbraw/zinc/53/11/16/1191531116.db2.gz FJNGKOAMTMQJHE-JTQLQIEISA-N 2 1 320.330 3.284 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC1(C)C ZINC001618654871 1193746527 /nfs/dbraw/zinc/74/65/27/1193746527.db2.gz VTQLBENFRXLZCA-RTBURBONSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@](O)(CN(C)C)C2)cc1 ZINC001618930697 1193754673 /nfs/dbraw/zinc/75/46/73/1193754673.db2.gz AYYFSNCNHHSNCN-LPHOPBHVSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@H](C)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618930697 1193754675 /nfs/dbraw/zinc/75/46/75/1193754675.db2.gz AYYFSNCNHHSNCN-LPHOPBHVSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618930697 1193754677 /nfs/dbraw/zinc/75/46/77/1193754677.db2.gz AYYFSNCNHHSNCN-LPHOPBHVSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618930697 1193754679 /nfs/dbraw/zinc/75/46/79/1193754679.db2.gz AYYFSNCNHHSNCN-LPHOPBHVSA-N 2 1 304.478 3.260 20 0 DGADMP C[C@@H]1CN(CC[NH+]2CCCC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001619463074 1193758391 /nfs/dbraw/zinc/75/83/91/1193758391.db2.gz QBSUCDMUPSLODV-GUDVDZBRSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC001619463076 1193759009 /nfs/dbraw/zinc/75/90/09/1193759009.db2.gz QBSUCDMUPSLODV-IPMKNSEASA-N 2 1 315.505 3.066 20 0 DGADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC001620435135 1193768238 /nfs/dbraw/zinc/76/82/38/1193768238.db2.gz PEXXZTDQLJMWMV-GOSISDBHSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC001620435135 1193768240 /nfs/dbraw/zinc/76/82/40/1193768240.db2.gz PEXXZTDQLJMWMV-GOSISDBHSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC001620435135 1193768242 /nfs/dbraw/zinc/76/82/42/1193768242.db2.gz PEXXZTDQLJMWMV-GOSISDBHSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC(C)(C)CCC1(C)C ZINC001620435135 1193768245 /nfs/dbraw/zinc/76/82/45/1193768245.db2.gz PEXXZTDQLJMWMV-GOSISDBHSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC001620435135 1193768247 /nfs/dbraw/zinc/76/82/47/1193768247.db2.gz PEXXZTDQLJMWMV-GOSISDBHSA-N 2 1 318.505 3.380 20 0 DGADMP CC1CC(C[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)C1 ZINC001620616368 1193784046 /nfs/dbraw/zinc/78/40/46/1193784046.db2.gz YLZWZYADRRCZBG-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP CC1CC(C[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)C1 ZINC001620616368 1193784047 /nfs/dbraw/zinc/78/40/47/1193784047.db2.gz YLZWZYADRRCZBG-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP CC1CC(C[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)C1 ZINC001620616368 1193784050 /nfs/dbraw/zinc/78/40/50/1193784050.db2.gz YLZWZYADRRCZBG-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP CC1CC(C[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)C1 ZINC001620616368 1193784054 /nfs/dbraw/zinc/78/40/54/1193784054.db2.gz YLZWZYADRRCZBG-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001620704854 1193792929 /nfs/dbraw/zinc/79/29/29/1193792929.db2.gz HCGGMLRXRXRIPC-QGZVFWFLSA-N 2 1 314.473 3.159 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc(-c2cccs2)oc1C ZINC001620728449 1193795293 /nfs/dbraw/zinc/79/52/93/1193795293.db2.gz SRJSQEASGOUZDT-UHFFFAOYSA-N 2 1 316.430 3.396 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC001620729378 1193795360 /nfs/dbraw/zinc/79/53/60/1193795360.db2.gz KGHNMNCNQDXKMO-UHFFFAOYSA-N 2 1 320.868 3.340 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@@H]2C1 ZINC001621564180 1193858443 /nfs/dbraw/zinc/85/84/43/1193858443.db2.gz XAKDVGUXNZASPX-JENIJYKNSA-N 2 1 324.472 3.034 20 0 DGADMP CCC[NH+](CCC)CCCNc1[nH+]cnc2[nH]cc(CC)c21 ZINC001639139409 1194752675 /nfs/dbraw/zinc/75/26/75/1194752675.db2.gz RUQSIYSVNYYQMU-UHFFFAOYSA-N 2 1 303.454 3.396 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)CC(C)(C)C ZINC001641735151 1194868836 /nfs/dbraw/zinc/86/88/36/1194868836.db2.gz XVEBAWVRLYGYMS-SFHVURJKSA-N 2 1 306.494 3.236 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)CC(C)(C)C ZINC001641735151 1194868839 /nfs/dbraw/zinc/86/88/39/1194868839.db2.gz XVEBAWVRLYGYMS-SFHVURJKSA-N 2 1 306.494 3.236 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC001641735151 1194868841 /nfs/dbraw/zinc/86/88/41/1194868841.db2.gz XVEBAWVRLYGYMS-SFHVURJKSA-N 2 1 306.494 3.236 20 0 DGADMP CCN1CCC([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001641960115 1194881175 /nfs/dbraw/zinc/88/11/75/1194881175.db2.gz LMPLTJNJXOPKKJ-UHFFFAOYSA-N 2 1 324.509 3.305 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001641960115 1194881178 /nfs/dbraw/zinc/88/11/78/1194881178.db2.gz LMPLTJNJXOPKKJ-UHFFFAOYSA-N 2 1 324.509 3.305 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001641960115 1194881181 /nfs/dbraw/zinc/88/11/81/1194881181.db2.gz LMPLTJNJXOPKKJ-UHFFFAOYSA-N 2 1 324.509 3.305 20 0 DGADMP CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001642380266 1194905991 /nfs/dbraw/zinc/90/59/91/1194905991.db2.gz GKIZFENTJSHRRE-IBGZPJMESA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001642380266 1194905993 /nfs/dbraw/zinc/90/59/93/1194905993.db2.gz GKIZFENTJSHRRE-IBGZPJMESA-N 2 1 316.489 3.387 20 0 DGADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1C ZINC001643599306 1195037964 /nfs/dbraw/zinc/03/79/64/1195037964.db2.gz KTHFDWVHLROFHW-FQEVSTJZSA-N 2 1 318.505 3.117 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001643688155 1195047148 /nfs/dbraw/zinc/04/71/48/1195047148.db2.gz NFJITLHHMJSCIZ-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001643688155 1195047151 /nfs/dbraw/zinc/04/71/51/1195047151.db2.gz NFJITLHHMJSCIZ-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543532 1195115937 /nfs/dbraw/zinc/11/59/37/1195115937.db2.gz KPXMJHYYYGPHCZ-PXNSSMCTSA-N 2 1 312.457 3.336 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543532 1195115941 /nfs/dbraw/zinc/11/59/41/1195115941.db2.gz KPXMJHYYYGPHCZ-PXNSSMCTSA-N 2 1 312.457 3.336 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001644681425 1195126224 /nfs/dbraw/zinc/12/62/24/1195126224.db2.gz DRRPKCGSJJZHCP-NEWSRXKRSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001644681425 1195126226 /nfs/dbraw/zinc/12/62/26/1195126226.db2.gz DRRPKCGSJJZHCP-NEWSRXKRSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001644681425 1195126228 /nfs/dbraw/zinc/12/62/28/1195126228.db2.gz DRRPKCGSJJZHCP-NEWSRXKRSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001644762351 1195132582 /nfs/dbraw/zinc/13/25/82/1195132582.db2.gz ZLPUGBWMHKTDSH-CVEARBPZSA-N 2 1 318.452 3.245 20 0 DGADMP CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001645314949 1195173708 /nfs/dbraw/zinc/17/37/08/1195173708.db2.gz PEQTWUYXXKVVBD-HXUWFJFHSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001645314949 1195173711 /nfs/dbraw/zinc/17/37/11/1195173711.db2.gz PEQTWUYXXKVVBD-HXUWFJFHSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)c1ccccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001646020691 1195211400 /nfs/dbraw/zinc/21/14/00/1195211400.db2.gz QUTSOPPVGKJZNQ-UHFFFAOYSA-N 2 1 305.510 3.125 20 0 DGADMP COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC001648117013 1195278361 /nfs/dbraw/zinc/27/83/61/1195278361.db2.gz HIEJYXSDXGECNN-UHFFFAOYSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001650630366 1195366660 /nfs/dbraw/zinc/36/66/60/1195366660.db2.gz MZLDOTBPYMUQSW-KSZLIROESA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001650630366 1195366665 /nfs/dbraw/zinc/36/66/65/1195366665.db2.gz MZLDOTBPYMUQSW-KSZLIROESA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]1CC[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC001651178534 1195423439 /nfs/dbraw/zinc/42/34/39/1195423439.db2.gz FNQUGHFJECDYJE-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@H]1C ZINC001651226956 1195429183 /nfs/dbraw/zinc/42/91/83/1195429183.db2.gz DPSVMTAKEZKQKV-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@H]1C ZINC001651226956 1195429186 /nfs/dbraw/zinc/42/91/86/1195429186.db2.gz DPSVMTAKEZKQKV-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001651253025 1195433183 /nfs/dbraw/zinc/43/31/83/1195433183.db2.gz UYMKTASRIIRCDS-CYBMUJFWSA-N 2 1 313.367 3.341 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC001651289796 1195437795 /nfs/dbraw/zinc/43/77/95/1195437795.db2.gz ZUFHEDTXCMKOBZ-UHFFFAOYSA-N 2 1 318.383 3.495 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC001651289796 1195437798 /nfs/dbraw/zinc/43/77/98/1195437798.db2.gz ZUFHEDTXCMKOBZ-UHFFFAOYSA-N 2 1 318.383 3.495 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000065981512 1195483133 /nfs/dbraw/zinc/48/31/33/1195483133.db2.gz FMBXXVWQJOZEOP-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc2ccccc21 ZINC001651697939 1195497639 /nfs/dbraw/zinc/49/76/39/1195497639.db2.gz LWIZZVPWZHVOBL-NZSAHSFTSA-N 2 1 310.441 3.278 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001651697764 1195497912 /nfs/dbraw/zinc/49/79/12/1195497912.db2.gz HRAFOAUDFVPHEX-IOPMLGMFSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@H](Cc1ccno1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001652028161 1195538385 /nfs/dbraw/zinc/53/83/85/1195538385.db2.gz KFQWZCUIPSWWTO-NUJGCVRESA-N 2 1 313.445 3.106 20 0 DGADMP CN(C)CC[N@H+](Cc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001652385508 1195590124 /nfs/dbraw/zinc/59/01/24/1195590124.db2.gz PLDUYXQGYIERGQ-UHFFFAOYSA-N 2 1 323.912 3.045 20 0 DGADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001652385508 1195590130 /nfs/dbraw/zinc/59/01/30/1195590130.db2.gz PLDUYXQGYIERGQ-UHFFFAOYSA-N 2 1 323.912 3.045 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000067223007 1195608033 /nfs/dbraw/zinc/60/80/33/1195608033.db2.gz ZRVGPMVLUFZFHU-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001652882451 1195666977 /nfs/dbraw/zinc/66/69/77/1195666977.db2.gz NRIIJSUATAWQAC-YJBOKZPZSA-N 2 1 318.461 3.025 20 0 DGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001652882451 1195666980 /nfs/dbraw/zinc/66/69/80/1195666980.db2.gz NRIIJSUATAWQAC-YJBOKZPZSA-N 2 1 318.461 3.025 20 0 DGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC001652890253 1195667065 /nfs/dbraw/zinc/66/70/65/1195667065.db2.gz NXBUVSLBOHAIGT-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890253 1195667071 /nfs/dbraw/zinc/66/70/71/1195667071.db2.gz NXBUVSLBOHAIGT-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890253 1195667076 /nfs/dbraw/zinc/66/70/76/1195667076.db2.gz NXBUVSLBOHAIGT-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001652890253 1195667081 /nfs/dbraw/zinc/66/70/81/1195667081.db2.gz NXBUVSLBOHAIGT-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001652890253 1195667084 /nfs/dbraw/zinc/66/70/84/1195667084.db2.gz NXBUVSLBOHAIGT-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CCN1c1cc[nH+]cc1 ZINC001653025837 1195681662 /nfs/dbraw/zinc/68/16/62/1195681662.db2.gz ONNKOAOGCMZUHY-MRXNPFEDSA-N 2 1 323.440 3.117 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccc(F)cc1F)C1CC1 ZINC001653035021 1195682207 /nfs/dbraw/zinc/68/22/07/1195682207.db2.gz KEQLUBFRABCBRU-KRWDZBQOSA-N 2 1 305.372 3.372 20 0 DGADMP CCCC[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC001653178519 1195695497 /nfs/dbraw/zinc/69/54/97/1195695497.db2.gz DALKXKIZDQYQBE-QGZVFWFLSA-N 2 1 312.498 3.162 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2CSC2)CC[N@@H+]1Cc1ccccc1 ZINC001653270434 1195705912 /nfs/dbraw/zinc/70/59/12/1195705912.db2.gz YSEHDCLAPSMMIR-YJBOKZPZSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001653270434 1195705917 /nfs/dbraw/zinc/70/59/17/1195705917.db2.gz YSEHDCLAPSMMIR-YJBOKZPZSA-N 2 1 304.503 3.382 20 0 DGADMP CCOc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(Cl)c1OC ZINC000068353205 1195716314 /nfs/dbraw/zinc/71/63/14/1195716314.db2.gz CUJDHZIUKMFRRZ-LBPRGKRZSA-N 2 1 314.857 3.177 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@](O)(c1ccccc1)C(C)C ZINC001653818116 1195752870 /nfs/dbraw/zinc/75/28/70/1195752870.db2.gz QTZKYDPKYMQQBG-IBGZPJMESA-N 2 1 315.461 3.057 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@](O)(c1ccccc1)C(C)C ZINC001653818116 1195752874 /nfs/dbraw/zinc/75/28/74/1195752874.db2.gz QTZKYDPKYMQQBG-IBGZPJMESA-N 2 1 315.461 3.057 20 0 DGADMP Clc1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001654026408 1195769041 /nfs/dbraw/zinc/76/90/41/1195769041.db2.gz INKJBVJOTSKRSE-UHFFFAOYSA-N 2 1 301.821 3.447 20 0 DGADMP CCCC[N@@H+](CCn1cccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001654384703 1195799252 /nfs/dbraw/zinc/79/92/52/1195799252.db2.gz ZQLHNHMLOQHSHH-UHFFFAOYSA-N 2 1 306.498 3.294 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000069710313 1195813834 /nfs/dbraw/zinc/81/38/34/1195813834.db2.gz VDOPGBXRXKEDJG-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001654659503 1195828002 /nfs/dbraw/zinc/82/80/02/1195828002.db2.gz BSLMCTYZHLVLLD-MDASCCDHSA-N 2 1 311.404 3.287 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001654782359 1195840020 /nfs/dbraw/zinc/84/00/20/1195840020.db2.gz JVARCEWBYJDXER-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001654782359 1195840022 /nfs/dbraw/zinc/84/00/22/1195840022.db2.gz JVARCEWBYJDXER-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCC(CC2CCCCC2)CC1)C1CC1 ZINC001654932570 1195855536 /nfs/dbraw/zinc/85/55/36/1195855536.db2.gz JQARKVWIHVJTIT-IBGZPJMESA-N 2 1 308.510 3.124 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(CC2CCCCC2)CC1)C1CC1 ZINC001654932570 1195855541 /nfs/dbraw/zinc/85/55/41/1195855541.db2.gz JQARKVWIHVJTIT-IBGZPJMESA-N 2 1 308.510 3.124 20 0 DGADMP CCOc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)o1 ZINC001655273762 1195898778 /nfs/dbraw/zinc/89/87/78/1195898778.db2.gz GLYZFHNSGSDFAO-UHFFFAOYSA-N 2 1 314.429 3.216 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001655291684 1195900227 /nfs/dbraw/zinc/90/02/27/1195900227.db2.gz WJHDWRSDXVYEKI-BRWVUGGUSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001655291684 1195900228 /nfs/dbraw/zinc/90/02/28/1195900228.db2.gz WJHDWRSDXVYEKI-BRWVUGGUSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001655402129 1195912634 /nfs/dbraw/zinc/91/26/34/1195912634.db2.gz YLXXEYRRHIOINN-MDZRGWNJSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001655402129 1195912639 /nfs/dbraw/zinc/91/26/39/1195912639.db2.gz YLXXEYRRHIOINN-MDZRGWNJSA-N 2 1 302.462 3.186 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OCC ZINC000071081007 1195926480 /nfs/dbraw/zinc/92/64/80/1195926480.db2.gz VRZXFJBKCSPKGR-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001655597130 1195937370 /nfs/dbraw/zinc/93/73/70/1195937370.db2.gz KNUSLFLVTATSMQ-UJXFUWLCSA-N 2 1 318.436 3.072 20 0 DGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC001655597400 1195937387 /nfs/dbraw/zinc/93/73/87/1195937387.db2.gz OKBMJARDBZYKPI-FQEVSTJZSA-N 2 1 316.489 3.345 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC001655725502 1195956508 /nfs/dbraw/zinc/95/65/08/1195956508.db2.gz YWQQYIHIZCPLSO-ZWKOTPCHSA-N 2 1 318.509 3.430 20 0 DGADMP CC(C)c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)nc(C(C)C)n1 ZINC001655956112 1195982788 /nfs/dbraw/zinc/98/27/88/1195982788.db2.gz ZAZJKHFKKGHDJC-QLFBSQMISA-N 2 1 302.466 3.476 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC[NH+]1CCCCC1 ZINC001656009059 1195987357 /nfs/dbraw/zinc/98/73/57/1195987357.db2.gz MTYGJYONFWQOIP-UHFFFAOYSA-N 2 1 317.521 3.220 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCN1CCCCC1 ZINC001656009059 1195987363 /nfs/dbraw/zinc/98/73/63/1195987363.db2.gz MTYGJYONFWQOIP-UHFFFAOYSA-N 2 1 317.521 3.220 20 0 DGADMP CCC1(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC001656036939 1195990535 /nfs/dbraw/zinc/99/05/35/1195990535.db2.gz DQPAHWBSYPQGBR-UHFFFAOYSA-N 2 1 316.489 3.231 20 0 DGADMP CCC1(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC001656036939 1195990537 /nfs/dbraw/zinc/99/05/37/1195990537.db2.gz DQPAHWBSYPQGBR-UHFFFAOYSA-N 2 1 316.489 3.231 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001656071526 1195993713 /nfs/dbraw/zinc/99/37/13/1195993713.db2.gz VVVXOYVJMQKDGP-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001656068876 1195994119 /nfs/dbraw/zinc/99/41/19/1195994119.db2.gz UDLFFJUKXCOSIL-GDBMZVCRSA-N 2 1 318.461 3.143 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001656068876 1195994120 /nfs/dbraw/zinc/99/41/20/1195994120.db2.gz UDLFFJUKXCOSIL-GDBMZVCRSA-N 2 1 318.461 3.143 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC001656071598 1195994481 /nfs/dbraw/zinc/99/44/81/1195994481.db2.gz XUXAVUFZQOJATD-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP COc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(Cl)c1 ZINC001656404270 1196036958 /nfs/dbraw/zinc/03/69/58/1196036958.db2.gz HGDQOVBTNQYGIN-UHFFFAOYSA-N 2 1 301.777 3.286 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC001657007092 1196092693 /nfs/dbraw/zinc/09/26/93/1196092693.db2.gz IZBJXPXBODPNRW-CQSZACIVSA-N 2 1 317.433 3.167 20 0 DGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001657145701 1196110272 /nfs/dbraw/zinc/11/02/72/1196110272.db2.gz MGPZBDFMSCMDBE-JKSUJKDBSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC001657145701 1196110276 /nfs/dbraw/zinc/11/02/76/1196110276.db2.gz MGPZBDFMSCMDBE-JKSUJKDBSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000072727514 1196112200 /nfs/dbraw/zinc/11/22/00/1196112200.db2.gz SETLPYFUSTVRKP-APWZRJJASA-N 2 1 302.462 3.187 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001657230828 1196121103 /nfs/dbraw/zinc/12/11/03/1196121103.db2.gz DAJGQJGTIBMZRD-DLBZAZTESA-N 2 1 302.462 3.228 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC001657703044 1196170880 /nfs/dbraw/zinc/17/08/80/1196170880.db2.gz QPGVIZCVWDRCJK-RBUKOAKNSA-N 2 1 306.494 3.237 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC001657703044 1196170883 /nfs/dbraw/zinc/17/08/83/1196170883.db2.gz QPGVIZCVWDRCJK-RBUKOAKNSA-N 2 1 306.494 3.237 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc(C)n1 ZINC001657728088 1196172770 /nfs/dbraw/zinc/17/27/70/1196172770.db2.gz DSBXQCWLULVNDK-UHFFFAOYSA-N 2 1 301.478 3.443 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001658188526 1196223301 /nfs/dbraw/zinc/22/33/01/1196223301.db2.gz AUEIHQKFJIZBGQ-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001658189635 1196223617 /nfs/dbraw/zinc/22/36/17/1196223617.db2.gz JGLAXRPWUIOGMJ-DLBZAZTESA-N 2 1 308.510 3.314 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001658262140 1196232996 /nfs/dbraw/zinc/23/29/96/1196232996.db2.gz QVOQHNMMCAAHJX-BQFCYCMXSA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001658262140 1196233000 /nfs/dbraw/zinc/23/30/00/1196233000.db2.gz QVOQHNMMCAAHJX-BQFCYCMXSA-N 2 1 304.478 3.336 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC001658777786 1196300176 /nfs/dbraw/zinc/30/01/76/1196300176.db2.gz IWYCFQHMZZULIV-ARFHVFGLSA-N 2 1 312.379 3.221 20 0 DGADMP Cc1ccnc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001658823273 1196305282 /nfs/dbraw/zinc/30/52/82/1196305282.db2.gz FMMUETHDKHXTBZ-IEBWSBKVSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccnc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001658823273 1196305286 /nfs/dbraw/zinc/30/52/86/1196305286.db2.gz FMMUETHDKHXTBZ-IEBWSBKVSA-N 2 1 309.457 3.390 20 0 DGADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001658840067 1196308076 /nfs/dbraw/zinc/30/80/76/1196308076.db2.gz NGCUXNICOABNDO-BEFAXECRSA-N 2 1 302.462 3.420 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001658863509 1196311557 /nfs/dbraw/zinc/31/15/57/1196311557.db2.gz ZBBGINDRRMDOMG-UHFFFAOYSA-N 2 1 324.371 3.068 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C2 ZINC001659110530 1196346786 /nfs/dbraw/zinc/34/67/86/1196346786.db2.gz ZQWUYBCXHMQURP-SJLPKXTDSA-N 2 1 316.489 3.263 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001659120449 1196348762 /nfs/dbraw/zinc/34/87/62/1196348762.db2.gz QACMFQANIXCXFK-MRXNPFEDSA-N 2 1 302.462 3.318 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001659120449 1196348765 /nfs/dbraw/zinc/34/87/65/1196348765.db2.gz QACMFQANIXCXFK-MRXNPFEDSA-N 2 1 302.462 3.318 20 0 DGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001659438513 1196384003 /nfs/dbraw/zinc/38/40/03/1196384003.db2.gz QVKFAAQNGPPLRN-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001659438513 1196384005 /nfs/dbraw/zinc/38/40/05/1196384005.db2.gz QVKFAAQNGPPLRN-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](CCCO)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001659571772 1196395930 /nfs/dbraw/zinc/39/59/30/1196395930.db2.gz HGLSONXMXHRVQV-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](CCCO)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001659571772 1196395934 /nfs/dbraw/zinc/39/59/34/1196395934.db2.gz HGLSONXMXHRVQV-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](CCCO)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001659571772 1196395938 /nfs/dbraw/zinc/39/59/38/1196395938.db2.gz HGLSONXMXHRVQV-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP C[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC001659697598 1196406290 /nfs/dbraw/zinc/40/62/90/1196406290.db2.gz SVTOYHOPYYFLIV-XUVXKRRUSA-N 2 1 314.473 3.023 20 0 DGADMP COCC[N@@H+](CCCc1ccccc1C)CC1CC[NH+](C)CC1 ZINC001659716346 1196407953 /nfs/dbraw/zinc/40/79/53/1196407953.db2.gz DRDLSVIIAHMUID-UHFFFAOYSA-N 2 1 318.505 3.218 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc2nsnc21 ZINC001659734151 1196409685 /nfs/dbraw/zinc/40/96/85/1196409685.db2.gz RZIBWTBCVMQGOZ-CJNGLKHVSA-N 2 1 318.490 3.244 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2nsnc21 ZINC001659734151 1196409687 /nfs/dbraw/zinc/40/96/87/1196409687.db2.gz RZIBWTBCVMQGOZ-CJNGLKHVSA-N 2 1 318.490 3.244 20 0 DGADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H]1OC ZINC001659748003 1196410375 /nfs/dbraw/zinc/41/03/75/1196410375.db2.gz FBOMNLKHYGNWTI-KURKYZTESA-N 2 1 308.510 3.292 20 0 DGADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@H]1OC ZINC001659748005 1196411097 /nfs/dbraw/zinc/41/10/97/1196411097.db2.gz FBOMNLKHYGNWTI-RCCFBDPRSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(C)c1OC(F)F ZINC000075780776 1196421361 /nfs/dbraw/zinc/42/13/61/1196421361.db2.gz CGEZJMWNCAKFPU-CQSZACIVSA-N 2 1 324.415 3.479 20 0 DGADMP CCOc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC001659887381 1196425505 /nfs/dbraw/zinc/42/55/05/1196425505.db2.gz VVQAOUMGKHLHHO-UHFFFAOYSA-N 2 1 308.466 3.478 20 0 DGADMP Cc1c(F)nccc1CN[C@@H](Cn1ccnc1)c1ccccc1 ZINC001659901913 1196426685 /nfs/dbraw/zinc/42/66/85/1196426685.db2.gz HHFHWTKRDFZEAW-KRWDZBQOSA-N 2 1 310.376 3.257 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@]2(C)C1 ZINC001660101959 1196445203 /nfs/dbraw/zinc/44/52/03/1196445203.db2.gz KCMFZHGWXRWAPB-QUCCMNQESA-N 2 1 313.489 3.060 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@]2(C)C1 ZINC001660101959 1196445211 /nfs/dbraw/zinc/44/52/11/1196445211.db2.gz KCMFZHGWXRWAPB-QUCCMNQESA-N 2 1 313.489 3.060 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)C[C@]2(C)C1 ZINC001660101959 1196445220 /nfs/dbraw/zinc/44/52/20/1196445220.db2.gz KCMFZHGWXRWAPB-QUCCMNQESA-N 2 1 313.489 3.060 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@]2(C)C1 ZINC001660101959 1196445223 /nfs/dbraw/zinc/44/52/23/1196445223.db2.gz KCMFZHGWXRWAPB-QUCCMNQESA-N 2 1 313.489 3.060 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001660146417 1196450542 /nfs/dbraw/zinc/45/05/42/1196450542.db2.gz WJZAJJMHCRXFAT-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2c1OCC2 ZINC001660369421 1196476118 /nfs/dbraw/zinc/47/61/18/1196476118.db2.gz BAKHRVHPNTYMQJ-MAUKXSAKSA-N 2 1 302.462 3.174 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001660593306 1196501082 /nfs/dbraw/zinc/50/10/82/1196501082.db2.gz RQOSOUACYDTBAB-FUHWJXTLSA-N 2 1 307.441 3.322 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001660592073 1196501391 /nfs/dbraw/zinc/50/13/91/1196501391.db2.gz PQVZPBHOLMINPU-WCIQWLHISA-N 2 1 321.553 3.159 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805063 1196528156 /nfs/dbraw/zinc/52/81/56/1196528156.db2.gz HFBAVMNJRIREMS-HKUYNNGSSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805063 1196528157 /nfs/dbraw/zinc/52/81/57/1196528157.db2.gz HFBAVMNJRIREMS-HKUYNNGSSA-N 2 1 315.505 3.286 20 0 DGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001660902058 1196540684 /nfs/dbraw/zinc/54/06/84/1196540684.db2.gz JMCOCPDXGPVKRX-WOJBJXKFSA-N 2 1 316.489 3.372 20 0 DGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001660902058 1196540689 /nfs/dbraw/zinc/54/06/89/1196540689.db2.gz JMCOCPDXGPVKRX-WOJBJXKFSA-N 2 1 316.489 3.372 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001660929605 1196543274 /nfs/dbraw/zinc/54/32/74/1196543274.db2.gz XCPRPLXKBMTUOE-MHEOJOEOSA-N 2 1 302.462 3.117 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001660929607 1196543368 /nfs/dbraw/zinc/54/33/68/1196543368.db2.gz XCPRPLXKBMTUOE-YSYIFYARSA-N 2 1 302.462 3.117 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001661463789 1196608542 /nfs/dbraw/zinc/60/85/42/1196608542.db2.gz MAMPXKNMOBESTM-JTDSTZFVSA-N 2 1 302.462 3.369 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1OC(C)C ZINC001661602065 1196622885 /nfs/dbraw/zinc/62/28/85/1196622885.db2.gz UWQWCTLMZPMAFT-IAGOWNOFSA-N 2 1 320.477 3.445 20 0 DGADMP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001661950506 1196665473 /nfs/dbraw/zinc/66/54/73/1196665473.db2.gz SYCSBNRLLGLKEC-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662187283 1196691946 /nfs/dbraw/zinc/69/19/46/1196691946.db2.gz DRXWSWAMMLZJHN-GOEBONIOSA-N 2 1 316.445 3.158 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662187283 1196691948 /nfs/dbraw/zinc/69/19/48/1196691948.db2.gz DRXWSWAMMLZJHN-GOEBONIOSA-N 2 1 316.445 3.158 20 0 DGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001663533210 1196897843 /nfs/dbraw/zinc/89/78/43/1196897843.db2.gz WYSUZGHMHXPENS-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001663533210 1196897850 /nfs/dbraw/zinc/89/78/50/1196897850.db2.gz WYSUZGHMHXPENS-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001663533210 1196897857 /nfs/dbraw/zinc/89/78/57/1196897857.db2.gz WYSUZGHMHXPENS-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)CC1 ZINC001663767653 1196942916 /nfs/dbraw/zinc/94/29/16/1196942916.db2.gz MFGHFSOJSXXIDL-YOEHRIQHSA-N 2 1 308.491 3.242 20 0 DGADMP CC[C@](C)(C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001663949251 1196960607 /nfs/dbraw/zinc/96/06/07/1196960607.db2.gz CFIOKTOGYAZEAK-RTBURBONSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@](C)(C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001663949251 1196960610 /nfs/dbraw/zinc/96/06/10/1196960610.db2.gz CFIOKTOGYAZEAK-RTBURBONSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@](C)(C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001663949251 1196960612 /nfs/dbraw/zinc/96/06/12/1196960612.db2.gz CFIOKTOGYAZEAK-RTBURBONSA-N 2 1 304.478 3.255 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000080204792 1197043334 /nfs/dbraw/zinc/04/33/34/1197043334.db2.gz VUHXYMVGVXUPLF-RBUKOAKNSA-N 2 1 318.505 3.285 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001664910200 1197078552 /nfs/dbraw/zinc/07/85/52/1197078552.db2.gz UMQCQKNLRRFABG-NLWGTHIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001664910200 1197078559 /nfs/dbraw/zinc/07/85/59/1197078559.db2.gz UMQCQKNLRRFABG-NLWGTHIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001664910200 1197078562 /nfs/dbraw/zinc/07/85/62/1197078562.db2.gz UMQCQKNLRRFABG-NLWGTHIKSA-N 2 1 317.521 3.358 20 0 DGADMP COC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCCCCC1 ZINC001665546188 1197149531 /nfs/dbraw/zinc/14/95/31/1197149531.db2.gz DSMABHDTHGDTHG-KRWDZBQOSA-N 2 1 317.477 3.332 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001665936647 1197218326 /nfs/dbraw/zinc/21/83/26/1197218326.db2.gz CCBRTPSLOQCLHA-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001665936647 1197218331 /nfs/dbraw/zinc/21/83/31/1197218331.db2.gz CCBRTPSLOQCLHA-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1cc(C)ccc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001665936647 1197218335 /nfs/dbraw/zinc/21/83/35/1197218335.db2.gz CCBRTPSLOQCLHA-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1cc(C)ccc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001665936647 1197218338 /nfs/dbraw/zinc/21/83/38/1197218338.db2.gz CCBRTPSLOQCLHA-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000323078737 1197690589 /nfs/dbraw/zinc/69/05/89/1197690589.db2.gz QXOPYKGMKBDVEA-SECBINFHSA-N 2 1 305.647 3.190 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 ZINC000093946523 1198739543 /nfs/dbraw/zinc/73/95/43/1198739543.db2.gz LRKJYEDLJMWERA-UHFFFAOYSA-N 2 1 318.490 3.113 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000098170664 1199204315 /nfs/dbraw/zinc/20/43/15/1199204315.db2.gz RCHVKNGUNTVQTM-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000098170664 1199204329 /nfs/dbraw/zinc/20/43/29/1199204329.db2.gz RCHVKNGUNTVQTM-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000098173185 1199204804 /nfs/dbraw/zinc/20/48/04/1199204804.db2.gz YYKGPAYXLDISPX-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000103173850 1199483024 /nfs/dbraw/zinc/48/30/24/1199483024.db2.gz JMBCVQSKXAPLPP-KRWDZBQOSA-N 2 1 304.503 3.036 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000316968383 1199820939 /nfs/dbraw/zinc/82/09/39/1199820939.db2.gz JXSGZBKQUYXCNE-UKRRQHHQSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000316968383 1199820944 /nfs/dbraw/zinc/82/09/44/1199820944.db2.gz JXSGZBKQUYXCNE-UKRRQHHQSA-N 2 1 314.351 3.159 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000430571224 1199829434 /nfs/dbraw/zinc/82/94/34/1199829434.db2.gz LQNVMKGGDVFJPQ-HNNXBMFYSA-N 2 1 318.383 3.389 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000318337179 1199829854 /nfs/dbraw/zinc/82/98/54/1199829854.db2.gz VTTCSFCHURDBQA-QGZVFWFLSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000318242491 1199830092 /nfs/dbraw/zinc/83/00/92/1199830092.db2.gz BIYXNTIWUIXVNG-KRWDZBQOSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000319155000 1199836501 /nfs/dbraw/zinc/83/65/01/1199836501.db2.gz SGOUIOWJMIYBGV-OAHLLOKOSA-N 2 1 318.383 3.059 20 0 DGADMP CCc1nn(C)c(CC)c1CNC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000119248150 1200048806 /nfs/dbraw/zinc/04/88/06/1200048806.db2.gz FSXVTRCRTOSHPD-INIZCTEOSA-N 2 1 320.525 3.003 20 0 DGADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000119248150 1200048814 /nfs/dbraw/zinc/04/88/14/1200048814.db2.gz FSXVTRCRTOSHPD-INIZCTEOSA-N 2 1 320.525 3.003 20 0 DGADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000119248150 1200048820 /nfs/dbraw/zinc/04/88/20/1200048820.db2.gz FSXVTRCRTOSHPD-INIZCTEOSA-N 2 1 320.525 3.003 20 0 DGADMP CCOc1ccc2c(c1)C[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000120061640 1200131003 /nfs/dbraw/zinc/13/10/03/1200131003.db2.gz DLEGFRBDPAHUMQ-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP CCOc1ccc2c(c1)C[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000120061640 1200131007 /nfs/dbraw/zinc/13/10/07/1200131007.db2.gz DLEGFRBDPAHUMQ-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)n2c1 ZINC000120820326 1200173625 /nfs/dbraw/zinc/17/36/25/1200173625.db2.gz KKOXUSALUITNOB-QGZVFWFLSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)n2c1 ZINC000120820326 1200173632 /nfs/dbraw/zinc/17/36/32/1200173632.db2.gz KKOXUSALUITNOB-QGZVFWFLSA-N 2 1 314.477 3.100 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1OC ZINC000120851939 1200176622 /nfs/dbraw/zinc/17/66/22/1200176622.db2.gz FWEIAYPLDOLZRP-MRXNPFEDSA-N 2 1 320.477 3.161 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1OC ZINC000120851939 1200176628 /nfs/dbraw/zinc/17/66/28/1200176628.db2.gz FWEIAYPLDOLZRP-MRXNPFEDSA-N 2 1 320.477 3.161 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000122823962 1200271432 /nfs/dbraw/zinc/27/14/32/1200271432.db2.gz YFSCWLWJILXCJX-QFBILLFUSA-N 2 1 302.462 3.187 20 0 DGADMP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001690281680 1200475376 /nfs/dbraw/zinc/47/53/76/1200475376.db2.gz GJFUPXQFQVOJND-WKILWMFISA-N 2 1 323.525 3.066 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690468962 1200579105 /nfs/dbraw/zinc/57/91/05/1200579105.db2.gz ZBKLZPNVZZTJQD-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001755026471 1200587725 /nfs/dbraw/zinc/58/77/25/1200587725.db2.gz QECZERQDFYTXLB-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001692332961 1201023427 /nfs/dbraw/zinc/02/34/27/1201023427.db2.gz JERXROGNYBWVTD-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001700139840 1202190872 /nfs/dbraw/zinc/19/08/72/1202190872.db2.gz WNGBNHFZGDZXRC-KRWDZBQOSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC001753667088 1202309068 /nfs/dbraw/zinc/30/90/68/1202309068.db2.gz REZHMPKRPCDCJI-UHFFFAOYSA-N 2 1 323.525 3.070 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220774781 1202566892 /nfs/dbraw/zinc/56/68/92/1202566892.db2.gz NBJRCPNJLJZFEV-WCQYABFASA-N 2 1 302.340 3.144 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2C)C1 ZINC000151393823 1202592342 /nfs/dbraw/zinc/59/23/42/1202592342.db2.gz BOQSBPZMOYKRBV-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1Cl ZINC000235009728 1202604098 /nfs/dbraw/zinc/60/40/98/1202604098.db2.gz IVBHDZLCUKWAGX-CQSZACIVSA-N 2 1 308.853 3.313 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000236958861 1202637801 /nfs/dbraw/zinc/63/78/01/1202637801.db2.gz TXKYQBORKXCQOK-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000164997747 1203723063 /nfs/dbraw/zinc/72/30/63/1203723063.db2.gz HORRILVJTPLSCZ-ZOBUZTSGSA-N 2 1 310.507 3.392 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000164997747 1203723065 /nfs/dbraw/zinc/72/30/65/1203723065.db2.gz HORRILVJTPLSCZ-ZOBUZTSGSA-N 2 1 310.507 3.392 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261760377 1204260446 /nfs/dbraw/zinc/26/04/46/1204260446.db2.gz UWPQYGRJYMIBHM-OLZOCXBDSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261760377 1204260450 /nfs/dbraw/zinc/26/04/50/1204260450.db2.gz UWPQYGRJYMIBHM-OLZOCXBDSA-N 2 1 316.392 3.340 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCC(C)C ZINC001168596059 1090595414 /nfs/dbraw/zinc/59/54/14/1090595414.db2.gz RUUXOMPOHSDHET-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)c(Cl)c1F ZINC001235717300 1099142970 /nfs/dbraw/zinc/14/29/70/1099142970.db2.gz QKFLNUTZJJPZGW-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cnc2Cl)CC[C@@H]1C[NH3+] ZINC001205615718 1100674760 /nfs/dbraw/zinc/67/47/60/1100674760.db2.gz ABIDEOLLVXDGOL-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618067 1081638116 /nfs/dbraw/zinc/63/81/16/1081638116.db2.gz RLAPNTIIDIWPSI-ZDUSSCGKSA-N 2 1 312.379 3.405 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618067 1081638117 /nfs/dbraw/zinc/63/81/17/1081638117.db2.gz RLAPNTIIDIWPSI-ZDUSSCGKSA-N 2 1 312.379 3.405 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618067 1081638120 /nfs/dbraw/zinc/63/81/20/1081638120.db2.gz RLAPNTIIDIWPSI-ZDUSSCGKSA-N 2 1 312.379 3.405 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC001208618067 1081638122 /nfs/dbraw/zinc/63/81/22/1081638122.db2.gz RLAPNTIIDIWPSI-ZDUSSCGKSA-N 2 1 312.379 3.405 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](CC)CCC(=O)OC)CC1 ZINC001208791932 1081650059 /nfs/dbraw/zinc/65/00/59/1081650059.db2.gz MZZDAAZUKFUXFW-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169948604 1081683431 /nfs/dbraw/zinc/68/34/31/1081683431.db2.gz JFAJAEPGDKTIJO-ZWKOTPCHSA-N 2 1 322.493 3.013 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266474509 1081878896 /nfs/dbraw/zinc/87/88/96/1081878896.db2.gz PGYMYFXHMQPLIZ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266474509 1081878900 /nfs/dbraw/zinc/87/89/00/1081878900.db2.gz PGYMYFXHMQPLIZ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266474509 1081878905 /nfs/dbraw/zinc/87/89/05/1081878905.db2.gz PGYMYFXHMQPLIZ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC001648818887 1081932178 /nfs/dbraw/zinc/93/21/78/1081932178.db2.gz MHOJBPFZMUVIRM-PMACEKPBSA-N 2 1 307.441 3.465 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2)c1 ZINC001648818887 1081932181 /nfs/dbraw/zinc/93/21/81/1081932181.db2.gz MHOJBPFZMUVIRM-PMACEKPBSA-N 2 1 307.441 3.465 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2F)CCC[C@@H]1C[NH3+] ZINC001206036347 1082078064 /nfs/dbraw/zinc/07/80/64/1082078064.db2.gz IRKXLQZVQDPIFL-WDEREUQCSA-N 2 1 319.346 3.046 20 0 DGADMP C[N@@H+](Cc1nccs1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204548580 1082122280 /nfs/dbraw/zinc/12/22/80/1082122280.db2.gz RGKBBMXALIKVSZ-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP C[N@H+](Cc1nccs1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204548580 1082122282 /nfs/dbraw/zinc/12/22/82/1082122282.db2.gz RGKBBMXALIKVSZ-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215040 1082313499 /nfs/dbraw/zinc/31/34/99/1082313499.db2.gz XOKBAZFEPGANQM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215040 1082313503 /nfs/dbraw/zinc/31/35/03/1082313503.db2.gz XOKBAZFEPGANQM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215040 1082313510 /nfs/dbraw/zinc/31/35/10/1082313510.db2.gz XOKBAZFEPGANQM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215040 1082313515 /nfs/dbraw/zinc/31/35/15/1082313515.db2.gz XOKBAZFEPGANQM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCO1 ZINC001170195867 1082316641 /nfs/dbraw/zinc/31/66/41/1082316641.db2.gz KVCCOUHURKJHCH-CABCVRRESA-N 2 1 306.425 3.033 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001170444985 1082460221 /nfs/dbraw/zinc/46/02/21/1082460221.db2.gz WJAGYXHOGMBXNB-KRWDZBQOSA-N 2 1 318.461 3.154 20 0 DGADMP CC(C)[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267085562 1082490972 /nfs/dbraw/zinc/49/09/72/1082490972.db2.gz PODGXHGTWSDEBJ-IAGOWNOFSA-N 2 1 323.525 3.066 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000708587667 1082868369 /nfs/dbraw/zinc/86/83/69/1082868369.db2.gz PRNGAIVMDGUOFL-NZSAHSFTSA-N 2 1 304.478 3.159 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410428 1082905262 /nfs/dbraw/zinc/90/52/62/1082905262.db2.gz LMWCMMBZLVKZMD-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410428 1082905266 /nfs/dbraw/zinc/90/52/66/1082905266.db2.gz LMWCMMBZLVKZMD-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410428 1082905271 /nfs/dbraw/zinc/90/52/71/1082905271.db2.gz LMWCMMBZLVKZMD-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132517652 1082928254 /nfs/dbraw/zinc/92/82/54/1082928254.db2.gz GFQSVCIPHHQYNF-MHEJJFAZSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132517652 1082928257 /nfs/dbraw/zinc/92/82/57/1082928257.db2.gz GFQSVCIPHHQYNF-MHEJJFAZSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001267501719 1082961378 /nfs/dbraw/zinc/96/13/78/1082961378.db2.gz XGMSUFJAEVRMAQ-GOSISDBHSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001267501719 1082961385 /nfs/dbraw/zinc/96/13/85/1082961385.db2.gz XGMSUFJAEVRMAQ-GOSISDBHSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001267501719 1082961391 /nfs/dbraw/zinc/96/13/91/1082961391.db2.gz XGMSUFJAEVRMAQ-GOSISDBHSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)CC1 ZINC001182136780 1083629400 /nfs/dbraw/zinc/62/94/00/1083629400.db2.gz CUSNRRCPMUWFAO-UHFFFAOYSA-N 2 1 314.473 3.274 20 0 DGADMP CN([C@@H]1CC[NH2+]C(C)(C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000709479535 1083677114 /nfs/dbraw/zinc/67/71/14/1083677114.db2.gz CGQBDFXKAASRID-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001481352369 1083807085 /nfs/dbraw/zinc/80/70/85/1083807085.db2.gz UOUSYDLCZAHQKN-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001481352369 1083807091 /nfs/dbraw/zinc/80/70/91/1083807091.db2.gz UOUSYDLCZAHQKN-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001481352369 1083807105 /nfs/dbraw/zinc/80/71/05/1083807105.db2.gz UOUSYDLCZAHQKN-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC001183065550 1083870362 /nfs/dbraw/zinc/87/03/62/1083870362.db2.gz LWTDCXUOPMZOEK-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC001183065550 1083870376 /nfs/dbraw/zinc/87/03/76/1083870376.db2.gz LWTDCXUOPMZOEK-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001183282003 1083907184 /nfs/dbraw/zinc/90/71/84/1083907184.db2.gz QPPOGXLYJNAWFM-IHPCNDPISA-N 2 1 318.505 3.405 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273993 1083965359 /nfs/dbraw/zinc/96/53/59/1083965359.db2.gz RFJHRNLBXMGIFU-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP C[C@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001183532584 1083972382 /nfs/dbraw/zinc/97/23/82/1083972382.db2.gz DZIKVSRFJWKAEG-WMHVBEDNSA-N 2 1 311.404 3.445 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001184066982 1084091360 /nfs/dbraw/zinc/09/13/60/1084091360.db2.gz POZAANMVDDUWNV-GRSWLUKJSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001184066982 1084091370 /nfs/dbraw/zinc/09/13/70/1084091370.db2.gz POZAANMVDDUWNV-GRSWLUKJSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001184066982 1084091381 /nfs/dbraw/zinc/09/13/81/1084091381.db2.gz POZAANMVDDUWNV-GRSWLUKJSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001184066982 1084091391 /nfs/dbraw/zinc/09/13/91/1084091391.db2.gz POZAANMVDDUWNV-GRSWLUKJSA-N 2 1 314.473 3.120 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001167824027 1084108660 /nfs/dbraw/zinc/10/86/60/1084108660.db2.gz BBAVPMQXSZKRRW-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001167824031 1084109710 /nfs/dbraw/zinc/10/97/10/1084109710.db2.gz BBAVPMQXSZKRRW-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1CN1CCCC1 ZINC001167826600 1084120589 /nfs/dbraw/zinc/12/05/89/1084120589.db2.gz RETUMPKEBVKUGL-OALUTQOASA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001167826600 1084120595 /nfs/dbraw/zinc/12/05/95/1084120595.db2.gz RETUMPKEBVKUGL-OALUTQOASA-N 2 1 309.542 3.447 20 0 DGADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167839533 1084163062 /nfs/dbraw/zinc/16/30/62/1084163062.db2.gz ZIOBNDOYLPHFEW-DLBZAZTESA-N 2 1 312.498 3.162 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)C[C@@H]1C[NH3+] ZINC001205306402 1084247916 /nfs/dbraw/zinc/24/79/16/1084247916.db2.gz WGAGAOCAOCBWHA-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C[C@@H]1C[NH3+] ZINC001205306402 1084247926 /nfs/dbraw/zinc/24/79/26/1084247926.db2.gz WGAGAOCAOCBWHA-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205306599 1084249566 /nfs/dbraw/zinc/24/95/66/1084249566.db2.gz YCPPCROROCGWCN-OCCSQVGLSA-N 2 1 316.367 3.310 20 0 DGADMP CCCOCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167873498 1084292908 /nfs/dbraw/zinc/29/29/08/1084292908.db2.gz XMNJQZZQUQQPNT-INIZCTEOSA-N 2 1 316.449 3.189 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N(CC)CCC[NH+](CC)CC)c12 ZINC001186157587 1084603765 /nfs/dbraw/zinc/60/37/65/1084603765.db2.gz RINDQGDPLAXVNJ-UHFFFAOYSA-N 2 1 303.454 3.079 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963773 1085820858 /nfs/dbraw/zinc/82/08/58/1085820858.db2.gz DEKPSGGIHPUNNW-OHSMVPPVSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963773 1085820867 /nfs/dbraw/zinc/82/08/67/1085820867.db2.gz DEKPSGGIHPUNNW-OHSMVPPVSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963773 1085820875 /nfs/dbraw/zinc/82/08/75/1085820875.db2.gz DEKPSGGIHPUNNW-OHSMVPPVSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963773 1085820880 /nfs/dbraw/zinc/82/08/80/1085820880.db2.gz DEKPSGGIHPUNNW-OHSMVPPVSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963773 1085820890 /nfs/dbraw/zinc/82/08/90/1085820890.db2.gz DEKPSGGIHPUNNW-OHSMVPPVSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963773 1085820897 /nfs/dbraw/zinc/82/08/97/1085820897.db2.gz DEKPSGGIHPUNNW-OHSMVPPVSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963773 1085820904 /nfs/dbraw/zinc/82/09/04/1085820904.db2.gz DEKPSGGIHPUNNW-OHSMVPPVSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H](CCCC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965816 1085858143 /nfs/dbraw/zinc/85/81/43/1085858143.db2.gz NHVRVHVTDKVEBB-MIGBEJBISA-N 2 1 308.510 3.311 20 0 DGADMP O[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167965920 1085863097 /nfs/dbraw/zinc/86/30/97/1085863097.db2.gz QMBLSWXRCYZGOL-RAFMOHDBSA-N 2 1 314.473 3.105 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1F ZINC001167971513 1085905858 /nfs/dbraw/zinc/90/58/58/1085905858.db2.gz WXSOXEIPHKPOCI-ALOPSCKCSA-N 2 1 318.436 3.329 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1F ZINC001167971513 1085905867 /nfs/dbraw/zinc/90/58/67/1085905867.db2.gz WXSOXEIPHKPOCI-ALOPSCKCSA-N 2 1 318.436 3.329 20 0 DGADMP CC(C)(Cc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978572 1085928342 /nfs/dbraw/zinc/92/83/42/1085928342.db2.gz PEPKHZYGDIBRFJ-YQQQUEKLSA-N 2 1 313.489 3.398 20 0 DGADMP CC(C)N(CCC[NH3+])[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009117 1086176002 /nfs/dbraw/zinc/17/60/02/1086176002.db2.gz GYABSUUDNWHSBR-OPVJXMOQSA-N 2 1 317.521 3.487 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168009117 1086176006 /nfs/dbraw/zinc/17/60/06/1086176006.db2.gz GYABSUUDNWHSBR-OPVJXMOQSA-N 2 1 317.521 3.487 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168009117 1086176011 /nfs/dbraw/zinc/17/60/11/1086176011.db2.gz GYABSUUDNWHSBR-OPVJXMOQSA-N 2 1 317.521 3.487 20 0 DGADMP COCC(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010986 1086210381 /nfs/dbraw/zinc/21/03/81/1086210381.db2.gz LYQFMWVXHSYUNF-ALXJQNPVSA-N 2 1 304.478 3.443 20 0 DGADMP CCC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013733 1086258527 /nfs/dbraw/zinc/25/85/27/1086258527.db2.gz IYMMZSHLVFCIEY-NBMJBFSESA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C(C)(C)C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021923 1086392149 /nfs/dbraw/zinc/39/21/49/1086392149.db2.gz RBUGCEFNEHMLKL-ALXJQNPVSA-N 2 1 303.494 3.097 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749709 1086394038 /nfs/dbraw/zinc/39/40/38/1086394038.db2.gz VYCRXOKXQRTOKL-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168026921 1086442869 /nfs/dbraw/zinc/44/28/69/1086442869.db2.gz MGLWXYUEBGSBNQ-CGHHPOIWSA-N 2 1 316.489 3.177 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC001168032147 1086465099 /nfs/dbraw/zinc/46/50/99/1086465099.db2.gz FOHRYITUTDSFGA-KYHPRHEASA-N 2 1 304.478 3.177 20 0 DGADMP Cc1ncncc1CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034010 1086473697 /nfs/dbraw/zinc/47/36/97/1086473697.db2.gz OBVMUYBFZQPVCT-CWPLJXCYSA-N 2 1 324.472 3.316 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3coc4ccc(F)cc34)C2)CC1 ZINC001141854836 1086476552 /nfs/dbraw/zinc/47/65/52/1086476552.db2.gz SBKNJXAJNHNRLJ-UHFFFAOYSA-N 2 1 302.393 3.490 20 0 DGADMP C[C@@H]1CC([NH+]2CC3(C2)CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041615 1086510618 /nfs/dbraw/zinc/51/06/18/1086510618.db2.gz UIXOTWQLGUEFSV-IAGOWNOFSA-N 2 1 314.473 3.150 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1)[NH+]1CCCC1 ZINC001307482412 1086566510 /nfs/dbraw/zinc/56/65/10/1086566510.db2.gz FNSLHXFOZAUUIE-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCC[C@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050681 1086589436 /nfs/dbraw/zinc/58/94/36/1086589436.db2.gz CGZYXTRAINVNKS-HLIPFELVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050681 1086589446 /nfs/dbraw/zinc/58/94/46/1086589446.db2.gz CGZYXTRAINVNKS-HLIPFELVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+](C)[C@@H]2CCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055380 1086620626 /nfs/dbraw/zinc/62/06/26/1086620626.db2.gz VNJAGHONTJYHEY-JFIYKMOQSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1CC([N@@H+](C)[C@@H]2CCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055380 1086620635 /nfs/dbraw/zinc/62/06/35/1086620635.db2.gz VNJAGHONTJYHEY-JFIYKMOQSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001168085837 1086782715 /nfs/dbraw/zinc/78/27/15/1086782715.db2.gz BYSYWFRYXNZQFJ-AXDKOMKPSA-N 2 1 314.473 3.339 20 0 DGADMP CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001088338310 1086821391 /nfs/dbraw/zinc/82/13/91/1086821391.db2.gz BDODLJZYVVFSGJ-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001168183572 1087028745 /nfs/dbraw/zinc/02/87/45/1087028745.db2.gz GNJYQXSBQNZWHY-HNNXBMFYSA-N 2 1 302.466 3.010 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001168324873 1087293989 /nfs/dbraw/zinc/29/39/89/1087293989.db2.gz YRMBPPZUUPQXBZ-CTWPCTMYSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)c1noc([C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168326966 1087295073 /nfs/dbraw/zinc/29/50/73/1087295073.db2.gz GQTDNPBMXHYZMC-QQFBHYJXSA-N 2 1 320.481 3.245 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC001168328241 1087295442 /nfs/dbraw/zinc/29/54/42/1087295442.db2.gz BJKRVDPVWBNKET-UHFFFAOYSA-N 2 1 304.478 3.132 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168328190 1087295741 /nfs/dbraw/zinc/29/57/41/1087295741.db2.gz ZALSTZMLAANFKL-WZOJCFFYSA-N 3 1 307.526 3.198 20 0 DGADMP C[NH+](C)C1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001168328190 1087295744 /nfs/dbraw/zinc/29/57/44/1087295744.db2.gz ZALSTZMLAANFKL-WZOJCFFYSA-N 3 1 307.526 3.198 20 0 DGADMP C[NH+](C)C1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001168328190 1087295750 /nfs/dbraw/zinc/29/57/50/1087295750.db2.gz ZALSTZMLAANFKL-WZOJCFFYSA-N 3 1 307.526 3.198 20 0 DGADMP CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168328190 1087295754 /nfs/dbraw/zinc/29/57/54/1087295754.db2.gz ZALSTZMLAANFKL-WZOJCFFYSA-N 2 1 307.526 3.198 20 0 DGADMP CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168328190 1087295761 /nfs/dbraw/zinc/29/57/61/1087295761.db2.gz ZALSTZMLAANFKL-WZOJCFFYSA-N 2 1 307.526 3.198 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168362867 1087372478 /nfs/dbraw/zinc/37/24/78/1087372478.db2.gz LWRUMKGHMFDFCR-SFHVURJKSA-N 2 1 300.446 3.283 20 0 DGADMP CC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168362861 1087372609 /nfs/dbraw/zinc/37/26/09/1087372609.db2.gz LUNISUZCNXKMEE-AWEZNQCLSA-N 2 1 300.446 3.414 20 0 DGADMP Fc1cc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168365087 1087382247 /nfs/dbraw/zinc/38/22/47/1087382247.db2.gz LHOLAECEJJUSQK-GOSISDBHSA-N 2 1 303.425 3.136 20 0 DGADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC001307422734 1087445628 /nfs/dbraw/zinc/44/56/28/1087445628.db2.gz XTTOJJFYOSGXCS-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC001307422734 1087445630 /nfs/dbraw/zinc/44/56/30/1087445630.db2.gz XTTOJJFYOSGXCS-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC001212144878 1087539893 /nfs/dbraw/zinc/53/98/93/1087539893.db2.gz FYXBTVGTLCDPIY-AWEZNQCLSA-N 2 1 324.375 3.183 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168411113 1087574456 /nfs/dbraw/zinc/57/44/56/1087574456.db2.gz GDDPEMWHWPMZKC-CADBVGFASA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168411113 1087574461 /nfs/dbraw/zinc/57/44/61/1087574461.db2.gz GDDPEMWHWPMZKC-CADBVGFASA-N 2 1 302.437 3.288 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001206641598 1087775565 /nfs/dbraw/zinc/77/55/65/1087775565.db2.gz ZSJDCINJARQZJB-GFCCVEGCSA-N 2 1 319.836 3.155 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc([C@H](C)[NH3+])n2)nc1 ZINC001158354593 1087788291 /nfs/dbraw/zinc/78/82/91/1087788291.db2.gz BVBLRCKSFQBOLR-WMLDXEAASA-N 2 1 313.449 3.224 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205145749 1088316495 /nfs/dbraw/zinc/31/64/95/1088316495.db2.gz FFSAHGZDHVPIJE-CMPLNLGQSA-N 2 1 304.381 3.325 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1NC1=CCC[NH2+]CC1 ZINC001159371001 1088322205 /nfs/dbraw/zinc/32/22/05/1088322205.db2.gz CZQVXHXVZWDEOH-UHFFFAOYSA-N 2 1 321.222 3.084 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153728942 1088338520 /nfs/dbraw/zinc/33/85/20/1088338520.db2.gz VOMZYPJCIOINTG-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153728942 1088338532 /nfs/dbraw/zinc/33/85/32/1088338532.db2.gz VOMZYPJCIOINTG-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153728942 1088338548 /nfs/dbraw/zinc/33/85/48/1088338548.db2.gz VOMZYPJCIOINTG-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC001235433579 1088340790 /nfs/dbraw/zinc/34/07/90/1088340790.db2.gz BINGMAZAHVIQQV-UHFFFAOYSA-N 2 1 300.368 3.179 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c(C)cc1Br ZINC001235842201 1088420182 /nfs/dbraw/zinc/42/01/82/1088420182.db2.gz MPJMITQVURIZRY-ZDUSSCGKSA-N 2 1 311.267 3.107 20 0 DGADMP [NH3+][C@H]1CCCN(c2ccccc2Nc2ccc3[nH]c[nH+]c3c2)C1 ZINC001159978783 1088585079 /nfs/dbraw/zinc/58/50/79/1088585079.db2.gz XQFUMTHRANJLHI-ZDUSSCGKSA-N 2 1 307.401 3.234 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(OC)c(Cl)cc2F)CC1 ZINC001236213801 1088708054 /nfs/dbraw/zinc/70/80/54/1088708054.db2.gz WJYBPNDXBPBXEM-UHFFFAOYSA-N 2 1 314.832 3.450 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236215160 1088711710 /nfs/dbraw/zinc/71/17/10/1088711710.db2.gz WQPMXFWEQNNIHL-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236215160 1088711724 /nfs/dbraw/zinc/71/17/24/1088711724.db2.gz WQPMXFWEQNNIHL-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160479486 1088826032 /nfs/dbraw/zinc/82/60/32/1088826032.db2.gz YOHWGDPJZFGPGJ-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001154989317 1088876240 /nfs/dbraw/zinc/87/62/40/1088876240.db2.gz NGEBQCBJHQMKKZ-YESZJQIVSA-N 2 1 302.466 3.310 20 0 DGADMP CC(C)c1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]c1 ZINC001155385111 1089088204 /nfs/dbraw/zinc/08/82/04/1089088204.db2.gz WHYREONJPNFECO-MRXNPFEDSA-N 2 1 303.450 3.166 20 0 DGADMP CCC(CC)[NH+]1CCC(Nc2[nH+]cnc3c2ccn3C)CC1 ZINC001161094455 1089112076 /nfs/dbraw/zinc/11/20/76/1089112076.db2.gz DVPCKODCUXBBLU-UHFFFAOYSA-N 2 1 301.438 3.033 20 0 DGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213934 1089156233 /nfs/dbraw/zinc/15/62/33/1089156233.db2.gz PQYNCYYURJIRPT-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155598560 1089178240 /nfs/dbraw/zinc/17/82/40/1089178240.db2.gz QKAYKKNCIICXOA-DNVCBOLYSA-N 2 1 311.429 3.114 20 0 DGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504395 1089265725 /nfs/dbraw/zinc/26/57/25/1089265725.db2.gz KLOOLECGUVRNOQ-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734103 1089380114 /nfs/dbraw/zinc/38/01/14/1089380114.db2.gz RSFXKDILGQDJFI-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CN(C)c1cccc(Nc2ccc(Br)cc2C[NH3+])[nH+]1 ZINC001161851760 1089441401 /nfs/dbraw/zinc/44/14/01/1089441401.db2.gz IHIZAIYYYVWNFT-UHFFFAOYSA-N 2 1 321.222 3.112 20 0 DGADMP Cc1cc(Cl)nc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001236606266 1089455455 /nfs/dbraw/zinc/45/54/55/1089455455.db2.gz WMHWKVXXDXWSCU-UHFFFAOYSA-N 2 1 316.276 3.470 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001162355576 1089694564 /nfs/dbraw/zinc/69/45/64/1089694564.db2.gz CHLVEOUDVCCTRW-GFCCVEGCSA-N 2 1 315.383 3.445 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001162355576 1089694578 /nfs/dbraw/zinc/69/45/78/1089694578.db2.gz CHLVEOUDVCCTRW-GFCCVEGCSA-N 2 1 315.383 3.445 20 0 DGADMP F[C@@]1(CNc2[nH+]ccc3c4c([nH]c32)CCCC4)CCCC[NH2+]C1 ZINC001162581099 1089809363 /nfs/dbraw/zinc/80/93/63/1089809363.db2.gz YLQBZPXHBHXBKS-SFHVURJKSA-N 2 1 316.424 3.335 20 0 DGADMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc[nH+]cc1C(F)(F)F ZINC001162767353 1089942151 /nfs/dbraw/zinc/94/21/51/1089942151.db2.gz VSIPRBYIEBHVNW-SECBINFHSA-N 2 1 306.291 3.459 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2ccc3c2CC[NH2+]C3)nc1 ZINC001157454208 1089973931 /nfs/dbraw/zinc/97/39/31/1089973931.db2.gz PPVRTWKCGYUIQU-SFHVURJKSA-N 2 1 324.472 3.455 20 0 DGADMP COc1ccc2c[nH+]c(Nc3ccc([C@H](C[NH3+])CO)cc3)cc2c1 ZINC001163053143 1090063385 /nfs/dbraw/zinc/06/33/85/1090063385.db2.gz ORBDEXHVAHMMAZ-MRXNPFEDSA-N 2 1 323.396 3.022 20 0 DGADMP CCC[NH+]1C[C@@H]2CN(c3[nH+]ccc4cc(OC)ccc43)C[C@H]2C1 ZINC001157689187 1090073698 /nfs/dbraw/zinc/07/36/98/1090073698.db2.gz HMYNMBMXKHRCTA-HZPDHXFCSA-N 2 1 311.429 3.021 20 0 DGADMP CC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485357827 1090133180 /nfs/dbraw/zinc/13/31/80/1090133180.db2.gz LXOKSYFKKGYFCI-DFOOCIKTSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c[nH+]c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c(N)c1 ZINC001163320569 1090149944 /nfs/dbraw/zinc/14/99/44/1090149944.db2.gz VHGGUGNTPLUIIA-OAHLLOKOSA-N 2 1 300.450 3.205 20 0 DGADMP Cc1cnc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1NC(C)C ZINC001163358583 1090162403 /nfs/dbraw/zinc/16/24/03/1090162403.db2.gz UYLQTPZFLVJZTL-HUUCEWRRSA-N 2 1 305.470 3.136 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)[C@H]2CC[NH2+]C2)nc1 ZINC001158035112 1090176900 /nfs/dbraw/zinc/17/69/00/1090176900.db2.gz PRFOYCQRHMWOAE-ZWKOTPCHSA-N 2 1 316.493 3.205 20 0 DGADMP Cc1[nH+]ccn1CCNc1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001163919173 1090285888 /nfs/dbraw/zinc/28/58/88/1090285888.db2.gz BPQRMHMTXPNIJL-HNNXBMFYSA-N 2 1 313.449 3.073 20 0 DGADMP Cc1[nH+]ccn1CCNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001163919173 1090285894 /nfs/dbraw/zinc/28/58/94/1090285894.db2.gz BPQRMHMTXPNIJL-HNNXBMFYSA-N 2 1 313.449 3.073 20 0 DGADMP Cc1[nH+]ccn1CCNc1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001163919174 1090286094 /nfs/dbraw/zinc/28/60/94/1090286094.db2.gz BPQRMHMTXPNIJL-OAHLLOKOSA-N 2 1 313.449 3.073 20 0 DGADMP Cc1[nH+]ccn1CCNc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001163919174 1090286100 /nfs/dbraw/zinc/28/61/00/1090286100.db2.gz BPQRMHMTXPNIJL-OAHLLOKOSA-N 2 1 313.449 3.073 20 0 DGADMP C[NH+](C)C1(CNc2ccc(-c3ccncc3)cc2)CC[NH+](C)CC1 ZINC001164213105 1090373267 /nfs/dbraw/zinc/37/32/67/1090373267.db2.gz OQXJYGABPSCLAQ-UHFFFAOYSA-N 2 1 324.472 3.187 20 0 DGADMP CCCOc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(F)c1 ZINC001164216799 1090374998 /nfs/dbraw/zinc/37/49/98/1090374998.db2.gz LFIFYLPTJIRPSL-UHFFFAOYSA-N 2 1 323.456 3.052 20 0 DGADMP CCCc1cc(N2CCC(C3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC001165065044 1090457548 /nfs/dbraw/zinc/45/75/48/1090457548.db2.gz FDBFUHVCPJZVJC-UHFFFAOYSA-N 2 1 316.493 3.296 20 0 DGADMP Cc1cc[nH+]c(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001165147808 1090472411 /nfs/dbraw/zinc/47/24/11/1090472411.db2.gz KCFATKWXWQTRPD-UHFFFAOYSA-N 2 1 307.441 3.417 20 0 DGADMP Cc1cc[nH+]c(N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001165147808 1090472414 /nfs/dbraw/zinc/47/24/14/1090472414.db2.gz KCFATKWXWQTRPD-UHFFFAOYSA-N 2 1 307.441 3.417 20 0 DGADMP c1cc2c[nH+]cc(NCc3ccc(C[NH+]4CCOCC4)cc3)c2[nH]1 ZINC001165384020 1090512251 /nfs/dbraw/zinc/51/22/51/1090512251.db2.gz KBSOITAKFTXFSD-UHFFFAOYSA-N 2 1 322.412 3.007 20 0 DGADMP COC(C)(C)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001165841875 1090552913 /nfs/dbraw/zinc/55/29/13/1090552913.db2.gz CXGSCKWKDKYXTE-HNNXBMFYSA-N 2 1 316.449 3.188 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)C1CCN(C)CC1 ZINC001203766088 1090800979 /nfs/dbraw/zinc/80/09/79/1090800979.db2.gz RFHPNWICKWUUFL-UHFFFAOYSA-N 2 1 311.267 3.365 20 0 DGADMP CC(=O)Nc1cc(Nc2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC001203786164 1090804156 /nfs/dbraw/zinc/80/41/56/1090804156.db2.gz MKNJPSTXYSSSNS-UHFFFAOYSA-N 2 1 310.401 3.379 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CC[C@H]3C2)cc1 ZINC001204077303 1090893475 /nfs/dbraw/zinc/89/34/75/1090893475.db2.gz OHPMCFBHWBENCN-LEWJYISDSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CC[C@H]3C2)cc1 ZINC001204077303 1090893482 /nfs/dbraw/zinc/89/34/82/1090893482.db2.gz OHPMCFBHWBENCN-LEWJYISDSA-N 2 1 321.468 3.426 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](F)CC2)cc1 ZINC001204263245 1090936652 /nfs/dbraw/zinc/93/66/52/1090936652.db2.gz IUEFQSMYVJTYGO-QGZVFWFLSA-N 2 1 308.441 3.341 20 0 DGADMP CC/C=C\CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276465355 1090970597 /nfs/dbraw/zinc/97/05/97/1090970597.db2.gz HBGJOYPDYVEQMU-FANKGXDISA-N 2 1 316.493 3.300 20 0 DGADMP CC/C=C\CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276465355 1090970601 /nfs/dbraw/zinc/97/06/01/1090970601.db2.gz HBGJOYPDYVEQMU-FANKGXDISA-N 2 1 316.493 3.300 20 0 DGADMP CC/C=C\CCC[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276465355 1090970606 /nfs/dbraw/zinc/97/06/06/1090970606.db2.gz HBGJOYPDYVEQMU-FANKGXDISA-N 2 1 316.493 3.300 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001204482088 1090980053 /nfs/dbraw/zinc/98/00/53/1090980053.db2.gz DAVRGFLPSIBVCT-UHFFFAOYSA-N 2 1 304.331 3.371 20 0 DGADMP CN(Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204482088 1090980055 /nfs/dbraw/zinc/98/00/55/1090980055.db2.gz DAVRGFLPSIBVCT-UHFFFAOYSA-N 2 1 304.331 3.371 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(F)cc3C(F)(F)F)C2)CC1 ZINC001204484711 1090980624 /nfs/dbraw/zinc/98/06/24/1090980624.db2.gz QUWAWVNWULGDKD-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)CCO2 ZINC001204490734 1090981667 /nfs/dbraw/zinc/98/16/67/1090981667.db2.gz AGJYPBVUNPHDFK-RBUKOAKNSA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC001204490734 1090981674 /nfs/dbraw/zinc/98/16/74/1090981674.db2.gz AGJYPBVUNPHDFK-RBUKOAKNSA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC001204490734 1090981677 /nfs/dbraw/zinc/98/16/77/1090981677.db2.gz AGJYPBVUNPHDFK-RBUKOAKNSA-N 2 1 314.473 3.460 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)CCO2 ZINC001204490733 1090981704 /nfs/dbraw/zinc/98/17/04/1090981704.db2.gz AGJYPBVUNPHDFK-OALUTQOASA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC001204490733 1090981706 /nfs/dbraw/zinc/98/17/06/1090981706.db2.gz AGJYPBVUNPHDFK-OALUTQOASA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC001204490733 1090981710 /nfs/dbraw/zinc/98/17/10/1090981710.db2.gz AGJYPBVUNPHDFK-OALUTQOASA-N 2 1 314.473 3.460 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccc4ccccc4n3)CC2)cc[nH+]1 ZINC001204506374 1090985661 /nfs/dbraw/zinc/98/56/61/1090985661.db2.gz BAQZARMKLHOCBW-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(F)c2C)C1 ZINC001204514066 1090987684 /nfs/dbraw/zinc/98/76/84/1090987684.db2.gz PUAASHDCBZLXHL-INIZCTEOSA-N 2 1 300.377 3.491 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(F)c2C)C1 ZINC001204514066 1090987689 /nfs/dbraw/zinc/98/76/89/1090987689.db2.gz PUAASHDCBZLXHL-INIZCTEOSA-N 2 1 300.377 3.491 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Cc3ccccc3)CC2)CO1 ZINC001204604466 1091006012 /nfs/dbraw/zinc/00/60/12/1091006012.db2.gz PXPVGMVBTXYRMN-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nc3ccccc3[nH]2)CC1 ZINC001204779937 1091035795 /nfs/dbraw/zinc/03/57/95/1091035795.db2.gz LKROZSJXQWPTOD-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP Cc1cccc(C[N@H+](C)Cc2ccccc2N2CC[NH2+]CC2)c1 ZINC001204847471 1091046260 /nfs/dbraw/zinc/04/62/60/1091046260.db2.gz BLYHFXVTIFSOEV-UHFFFAOYSA-N 2 1 309.457 3.037 20 0 DGADMP C[C@@H]1CN(CC[C@H]2CCCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204897347 1091057516 /nfs/dbraw/zinc/05/75/16/1091057516.db2.gz XRHKWGHDIUBEPY-NLWGTHIKSA-N 2 1 315.505 3.113 20 0 DGADMP COC(=O)C1(C)CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001168751239 1091061449 /nfs/dbraw/zinc/06/14/49/1091061449.db2.gz RPIKEGUSCNSQCX-GIOYIUAESA-N 2 1 324.509 3.066 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205018613 1091085028 /nfs/dbraw/zinc/08/50/28/1091085028.db2.gz VWYVMYCPWZVFBV-QGZVFWFLSA-N 2 1 310.441 3.491 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2c(Cl)cccc2Br)CC1 ZINC001205033844 1091088716 /nfs/dbraw/zinc/08/87/16/1091088716.db2.gz WDOFUASXCFGIOE-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1cccc(Br)c1 ZINC001205058836 1091092460 /nfs/dbraw/zinc/09/24/60/1091092460.db2.gz VTTJOEWJCLVGBW-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1cccc(Br)c1 ZINC001205058836 1091092466 /nfs/dbraw/zinc/09/24/66/1091092466.db2.gz VTTJOEWJCLVGBW-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116887 1091106356 /nfs/dbraw/zinc/10/63/56/1091106356.db2.gz IPMHHHGHSQVMLC-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)CC1 ZINC001205101436 1091101826 /nfs/dbraw/zinc/10/18/26/1091101826.db2.gz FELGUJHIQHJGSR-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1C(F)(F)F ZINC001205110526 1091105479 /nfs/dbraw/zinc/10/54/79/1091105479.db2.gz VFPIMPBLVVZSKH-GFCCVEGCSA-N 2 1 302.340 3.027 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116887 1091106354 /nfs/dbraw/zinc/10/63/54/1091106354.db2.gz IPMHHHGHSQVMLC-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001205131419 1091109017 /nfs/dbraw/zinc/10/90/17/1091109017.db2.gz YFDWZUWALBJVKW-INIZCTEOSA-N 2 1 312.413 3.498 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C[C@H]1C[NH3+] ZINC001205150563 1091113624 /nfs/dbraw/zinc/11/36/24/1091113624.db2.gz FSEMQJKUDIELIO-DZGCQCFKSA-N 2 1 315.848 3.429 20 0 DGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001205164413 1091116784 /nfs/dbraw/zinc/11/67/84/1091116784.db2.gz FQJPERFFMSVRKD-KRWDZBQOSA-N 2 1 321.468 3.216 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205241241 1091144436 /nfs/dbraw/zinc/14/44/36/1091144436.db2.gz RYJMMKFWDKRXFU-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255097 1091151093 /nfs/dbraw/zinc/15/10/93/1091151093.db2.gz GQUMUMZVQBEJTR-GOSISDBHSA-N 2 1 312.498 3.484 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205273085 1091158494 /nfs/dbraw/zinc/15/84/94/1091158494.db2.gz DPZBBSMKOKUPSX-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205273085 1091158502 /nfs/dbraw/zinc/15/85/02/1091158502.db2.gz DPZBBSMKOKUPSX-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c2c1 ZINC001205273144 1091159017 /nfs/dbraw/zinc/15/90/17/1091159017.db2.gz FZACKKXNTVBDMC-GOSISDBHSA-N 2 1 301.434 3.270 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205289167 1091165564 /nfs/dbraw/zinc/16/55/64/1091165564.db2.gz UDOGPOSNKOKGOD-IBGZPJMESA-N 2 1 320.477 3.462 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001205288859 1091166014 /nfs/dbraw/zinc/16/60/14/1091166014.db2.gz PDIGJJJNCQJRCV-KRWDZBQOSA-N 2 1 318.852 3.229 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001205289243 1091167249 /nfs/dbraw/zinc/16/72/49/1091167249.db2.gz VCOHYBWKDJIGHT-KRWDZBQOSA-N 2 1 320.387 3.058 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296388 1091168772 /nfs/dbraw/zinc/16/87/72/1091168772.db2.gz NYOQPRXQYZPHIG-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296388 1091168776 /nfs/dbraw/zinc/16/87/76/1091168776.db2.gz NYOQPRXQYZPHIG-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304756 1091174305 /nfs/dbraw/zinc/17/43/05/1091174305.db2.gz PLOOYODHRSMRSA-AAEUAGOBSA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304756 1091174310 /nfs/dbraw/zinc/17/43/10/1091174310.db2.gz PLOOYODHRSMRSA-AAEUAGOBSA-N 2 1 316.367 3.131 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC001205314920 1091179959 /nfs/dbraw/zinc/17/99/59/1091179959.db2.gz DOVCIJKILHKGHN-RHSMWYFYSA-N 2 1 313.420 3.304 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317758 1091182170 /nfs/dbraw/zinc/18/21/70/1091182170.db2.gz PYZUYMLYEGURAX-WCQYABFASA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317758 1091182174 /nfs/dbraw/zinc/18/21/74/1091182174.db2.gz PYZUYMLYEGURAX-WCQYABFASA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC001205316687 1091182189 /nfs/dbraw/zinc/18/21/89/1091182189.db2.gz KHCXMLGAJSEOJD-RDJZCZTQSA-N 2 1 311.429 3.291 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)cc3C)C[C@@H]2C1 ZINC001138437396 1091184085 /nfs/dbraw/zinc/18/40/85/1091184085.db2.gz VZAGJRPPJAPRHI-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)cc3C)C[C@@H]2C1 ZINC001138437396 1091184090 /nfs/dbraw/zinc/18/40/90/1091184090.db2.gz VZAGJRPPJAPRHI-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC)cc3C)C[C@@H]2C1 ZINC001138437396 1091184094 /nfs/dbraw/zinc/18/40/94/1091184094.db2.gz VZAGJRPPJAPRHI-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC)cc3C)C[C@@H]2C1 ZINC001138437396 1091184100 /nfs/dbraw/zinc/18/41/00/1091184100.db2.gz VZAGJRPPJAPRHI-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001205326450 1091187230 /nfs/dbraw/zinc/18/72/30/1091187230.db2.gz ZLUKQZWCEYDZQN-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP Cc1ccc(-c2n[nH]cc2CN2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001138449113 1091189451 /nfs/dbraw/zinc/18/94/51/1091189451.db2.gz FSIFHODNLPJDIP-UHFFFAOYSA-N 2 1 324.472 3.444 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001205405106 1091214639 /nfs/dbraw/zinc/21/46/39/1091214639.db2.gz CUICUOQTDSRPAI-MSOLQXFVSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001205405106 1091214645 /nfs/dbraw/zinc/21/46/45/1091214645.db2.gz CUICUOQTDSRPAI-MSOLQXFVSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC001138547141 1091224461 /nfs/dbraw/zinc/22/44/61/1091224461.db2.gz FXDBZKCQZHASEB-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000709597360 1091225411 /nfs/dbraw/zinc/22/54/11/1091225411.db2.gz RVPMXNZFMUBKJD-CYBMUJFWSA-N 2 1 304.381 3.168 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(OC)ccc12 ZINC001138592076 1091245513 /nfs/dbraw/zinc/24/55/13/1091245513.db2.gz MCIQXNLPXLBWIL-UHFFFAOYSA-N 2 1 303.450 3.340 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001205546048 1091247731 /nfs/dbraw/zinc/24/77/31/1091247731.db2.gz PNBSDZUCSJJWBK-CQSZACIVSA-N 2 1 320.330 3.238 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001205546047 1091248501 /nfs/dbraw/zinc/24/85/01/1091248501.db2.gz PNBSDZUCSJJWBK-AWEZNQCLSA-N 2 1 320.330 3.238 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205546441 1091249782 /nfs/dbraw/zinc/24/97/82/1091249782.db2.gz VOPZSLYQWRRCLC-AWEZNQCLSA-N 2 1 304.331 3.358 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205546442 1091249832 /nfs/dbraw/zinc/24/98/32/1091249832.db2.gz VOPZSLYQWRRCLC-CQSZACIVSA-N 2 1 304.331 3.358 20 0 DGADMP CC[N@H+]1CCc2cc(-c3ccc(N4CC[NH2+]CC4)cc3)ccc2C1 ZINC001205558285 1091253347 /nfs/dbraw/zinc/25/33/47/1091253347.db2.gz PUTMBXMKDDURGJ-UHFFFAOYSA-N 2 1 321.468 3.141 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001205559252 1091253362 /nfs/dbraw/zinc/25/33/62/1091253362.db2.gz POIGTTRTIXNIMD-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1OC(C)C ZINC001205559468 1091254362 /nfs/dbraw/zinc/25/43/62/1091254362.db2.gz RHCWEXPJTIPATN-SFHVURJKSA-N 2 1 324.440 3.135 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001205570635 1091259372 /nfs/dbraw/zinc/25/93/72/1091259372.db2.gz MOUNZXGTKRZCIQ-KRWDZBQOSA-N 2 1 305.372 3.027 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001205570734 1091260517 /nfs/dbraw/zinc/26/05/17/1091260517.db2.gz NQVBHRKXKSSQQA-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2csc(Br)c2)CC[C@H]1C[NH3+] ZINC001205637412 1091289884 /nfs/dbraw/zinc/28/98/84/1091289884.db2.gz GWLVRMNRCQDKTE-JQWIXIFHSA-N 2 1 317.296 3.317 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)c1C ZINC001205615793 1091280451 /nfs/dbraw/zinc/28/04/51/1091280451.db2.gz BCIXTGDCAPAQPM-SUMWQHHRSA-N 2 1 304.478 3.427 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205616606 1091282105 /nfs/dbraw/zinc/28/21/05/1091282105.db2.gz GSSJTMPCUOCWAT-DOTOQJQBSA-N 2 1 312.461 3.192 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC[C@H]1C[NH3+] ZINC001205617702 1091282123 /nfs/dbraw/zinc/28/21/23/1091282123.db2.gz MOCQUYCNECTLOM-CVEARBPZSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)CC[C@H]1C[NH3+] ZINC001205618553 1091284161 /nfs/dbraw/zinc/28/41/61/1091284161.db2.gz XCXPEMOQYMVSGY-SJORKVTESA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)CC[C@H]1C[NH3+] ZINC001205617911 1091284350 /nfs/dbraw/zinc/28/43/50/1091284350.db2.gz PDDAJRNVUVYSJR-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)CC[C@@H]1C[NH3+] ZINC001205618471 1091284390 /nfs/dbraw/zinc/28/43/90/1091284390.db2.gz WGPNMEMBQOISRL-QZTJIDSGSA-N 2 1 315.505 3.484 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205627081 1091285515 /nfs/dbraw/zinc/28/55/15/1091285515.db2.gz MKWNWXLQOPVKFA-PBHICJAKSA-N 2 1 313.445 3.457 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205627548 1091286251 /nfs/dbraw/zinc/28/62/51/1091286251.db2.gz QLGDBCDUFGSPED-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC[C@H]1C[NH3+] ZINC001205625222 1091286989 /nfs/dbraw/zinc/28/69/89/1091286989.db2.gz ACWHRNPZKQVZAT-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccnc3c(F)cccc23)CC[C@@H]1C[NH3+] ZINC001205639066 1091292183 /nfs/dbraw/zinc/29/21/83/1091292183.db2.gz VJXOMQOBQAFISY-UONOGXRCSA-N 2 1 301.409 3.181 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205638592 1091292202 /nfs/dbraw/zinc/29/22/02/1091292202.db2.gz POZPZQNGOVVGMU-CRAIPNDOSA-N 2 1 324.472 3.259 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205638595 1091292287 /nfs/dbraw/zinc/29/22/87/1091292287.db2.gz POZPZQNGOVVGMU-YJBOKZPZSA-N 2 1 324.472 3.259 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccn2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205639036 1091292554 /nfs/dbraw/zinc/29/25/54/1091292554.db2.gz VDIWVMIZJNIEMG-HKUYNNGSSA-N 2 1 311.473 3.343 20 0 DGADMP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651370 1091295770 /nfs/dbraw/zinc/29/57/70/1091295770.db2.gz DBIINOQECDQUJF-GJZGRUSLSA-N 2 1 308.441 3.421 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651302 1091296462 /nfs/dbraw/zinc/29/64/62/1091296462.db2.gz CHTRPIKYVUDEKQ-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP COc1cc(F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205653254 1091297852 /nfs/dbraw/zinc/29/78/52/1091297852.db2.gz SIOPAEDUEGRBNQ-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)ccnc12 ZINC001205653716 1091298169 /nfs/dbraw/zinc/29/81/69/1091298169.db2.gz UQQHZYUDECMTHP-LSDHHAIUSA-N 2 1 313.445 3.050 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205652449 1091298996 /nfs/dbraw/zinc/29/89/96/1091298996.db2.gz PQFCUJOYWYAUSV-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC[C@H]1C[NH3+] ZINC001205651969 1091299088 /nfs/dbraw/zinc/29/90/88/1091299088.db2.gz MSYASTZFEYAGHI-NEPJUHHUSA-N 2 1 316.367 3.234 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205683334 1091312306 /nfs/dbraw/zinc/31/23/06/1091312306.db2.gz YQAYCROJKUUHHM-FQEVSTJZSA-N 2 1 310.441 3.029 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)CCc1cccc(OC(F)(F)F)c1 ZINC001205692891 1091313892 /nfs/dbraw/zinc/31/38/92/1091313892.db2.gz NFPQOMJMKQHCBU-UHFFFAOYSA-N 2 1 318.383 3.401 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CC2(c3ccccc3)CCCC2)CCC1(F)F ZINC001205735262 1091325519 /nfs/dbraw/zinc/32/55/19/1091325519.db2.gz LYBAUTCWYHGUFV-INIZCTEOSA-N 2 1 308.416 3.414 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCC1(F)F ZINC001205735272 1091326337 /nfs/dbraw/zinc/32/63/37/1091326337.db2.gz MEPOFIOIQCJURB-CYBMUJFWSA-N 2 1 302.796 3.189 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2c1 ZINC001205764125 1091337880 /nfs/dbraw/zinc/33/78/80/1091337880.db2.gz UBUHCDPEHOKEQQ-MRXNPFEDSA-N 2 1 320.383 3.264 20 0 DGADMP COc1ccc2cc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2c1 ZINC001205764125 1091337896 /nfs/dbraw/zinc/33/78/96/1091337896.db2.gz UBUHCDPEHOKEQQ-MRXNPFEDSA-N 2 1 320.383 3.264 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2ccnn21 ZINC001138808444 1091339356 /nfs/dbraw/zinc/33/93/56/1091339356.db2.gz VTNIIINWFFWLBS-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2ccnn21 ZINC001138808444 1091339367 /nfs/dbraw/zinc/33/93/67/1091339367.db2.gz VTNIIINWFFWLBS-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2ccnn21 ZINC001138808444 1091339379 /nfs/dbraw/zinc/33/93/79/1091339379.db2.gz VTNIIINWFFWLBS-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2ccnn21 ZINC001138808444 1091339390 /nfs/dbraw/zinc/33/93/90/1091339390.db2.gz VTNIIINWFFWLBS-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC001205796260 1091352759 /nfs/dbraw/zinc/35/27/59/1091352759.db2.gz PYWXKPJNCQNDNA-HNNXBMFYSA-N 2 1 312.404 3.198 20 0 DGADMP Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC001205796260 1091352770 /nfs/dbraw/zinc/35/27/70/1091352770.db2.gz PYWXKPJNCQNDNA-HNNXBMFYSA-N 2 1 312.404 3.198 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901576 1091398670 /nfs/dbraw/zinc/39/86/70/1091398670.db2.gz DGHYPAQWYPJJQM-WBVHZDCISA-N 2 1 312.461 3.048 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901574 1091399983 /nfs/dbraw/zinc/39/99/83/1091399983.db2.gz DGHYPAQWYPJJQM-NVXWUHKLSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902487 1091400172 /nfs/dbraw/zinc/40/01/72/1091400172.db2.gz JXUPDSYNECFKSO-JQWIXIFHSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902487 1091400181 /nfs/dbraw/zinc/40/01/81/1091400181.db2.gz JXUPDSYNECFKSO-JQWIXIFHSA-N 2 1 304.331 3.404 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(OCC)c1 ZINC001205904173 1091401972 /nfs/dbraw/zinc/40/19/72/1091401972.db2.gz SMIDLNHDSCNTGL-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(OCC)c1 ZINC001205904173 1091401977 /nfs/dbraw/zinc/40/19/77/1091401977.db2.gz SMIDLNHDSCNTGL-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205912786 1091407235 /nfs/dbraw/zinc/40/72/35/1091407235.db2.gz CIDBJSQZXHNYTP-ZBFHGGJFSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001205912694 1091407654 /nfs/dbraw/zinc/40/76/54/1091407654.db2.gz BKVFFVTYISGSJW-ZFWWWQNUSA-N 2 1 318.852 3.085 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205914114 1091408143 /nfs/dbraw/zinc/40/81/43/1091408143.db2.gz LAFQLGGIXKEFKW-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205915867 1091408872 /nfs/dbraw/zinc/40/88/72/1091408872.db2.gz RELLHMVNTFHINQ-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205915867 1091408878 /nfs/dbraw/zinc/40/88/78/1091408878.db2.gz RELLHMVNTFHINQ-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001205916126 1091411034 /nfs/dbraw/zinc/41/10/34/1091411034.db2.gz RYMLTOSSQGNBEC-PBHICJAKSA-N 2 1 302.462 3.349 20 0 DGADMP Cc1cccc2c1C[N@@H+](Cc1cccc(CN3CCOCC3)c1)C2 ZINC001139052729 1091430236 /nfs/dbraw/zinc/43/02/36/1091430236.db2.gz MATRBRQVWDUVJA-UHFFFAOYSA-N 2 1 322.452 3.343 20 0 DGADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001139055294 1091432760 /nfs/dbraw/zinc/43/27/60/1091432760.db2.gz MTCIGGSWUXYKIK-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205992945 1091439208 /nfs/dbraw/zinc/43/92/08/1091439208.db2.gz GJIBWSICJSXAQK-HIFRSBDPSA-N 2 1 312.404 3.137 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC001205992051 1091439885 /nfs/dbraw/zinc/43/98/85/1091439885.db2.gz CYUIUJPVXNXARS-UONOGXRCSA-N 2 1 302.418 3.248 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CCC[C@@H]1C[NH3+] ZINC001205996202 1091441188 /nfs/dbraw/zinc/44/11/88/1091441188.db2.gz WACLFCSPWFLSJV-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@@H]1C[NH3+] ZINC001205996202 1091441194 /nfs/dbraw/zinc/44/11/94/1091441194.db2.gz WACLFCSPWFLSJV-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@@H]1C[NH3+] ZINC001205996202 1091441200 /nfs/dbraw/zinc/44/12/00/1091441200.db2.gz WACLFCSPWFLSJV-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cncc2Cl)CCC[C@@H]1C[NH3+] ZINC001205996419 1091441270 /nfs/dbraw/zinc/44/12/70/1091441270.db2.gz WWMRQZPPSFJRGF-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1OCC ZINC001206003886 1091445900 /nfs/dbraw/zinc/44/59/00/1091445900.db2.gz NJUVSYQUQLIZBB-DOTOQJQBSA-N 2 1 320.477 3.291 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206015025 1091451871 /nfs/dbraw/zinc/45/18/71/1091451871.db2.gz ZODZREBTEMFZCD-JSGCOSHPSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206028323 1091457779 /nfs/dbraw/zinc/45/77/79/1091457779.db2.gz YGMRZQIGNBPGPT-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206028323 1091457784 /nfs/dbraw/zinc/45/77/84/1091457784.db2.gz YGMRZQIGNBPGPT-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206035518 1091462001 /nfs/dbraw/zinc/46/20/01/1091462001.db2.gz CGABNKHIEZIGON-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206037858 1091463021 /nfs/dbraw/zinc/46/30/21/1091463021.db2.gz YHJXDOCIJPPIBL-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206037881 1091463593 /nfs/dbraw/zinc/46/35/93/1091463593.db2.gz YYPZXLAAUHEWQQ-YPMHNXCESA-N 2 1 315.383 3.216 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206037857 1091464056 /nfs/dbraw/zinc/46/40/56/1091464056.db2.gz YHJXDOCIJPPIBL-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206037880 1091464105 /nfs/dbraw/zinc/46/41/05/1091464105.db2.gz YYPZXLAAUHEWQQ-WCQYABFASA-N 2 1 315.383 3.216 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cccc1C(F)(F)F ZINC001206188176 1091526215 /nfs/dbraw/zinc/52/62/15/1091526215.db2.gz UQRMJJRIDQXHHF-KBPBESRZSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cccc1C(F)(F)F ZINC001206188176 1091526219 /nfs/dbraw/zinc/52/62/19/1091526219.db2.gz UQRMJJRIDQXHHF-KBPBESRZSA-N 2 1 304.331 3.275 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCN(C)CC1 ZINC001139364463 1091536809 /nfs/dbraw/zinc/53/68/09/1091536809.db2.gz SEGZEFXCYXPDMS-UHFFFAOYSA-N 2 1 312.461 3.177 20 0 DGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)c2ccccc2n3C)C1 ZINC001206269342 1091557785 /nfs/dbraw/zinc/55/77/85/1091557785.db2.gz KJYHTRJMBYGPTG-HNNXBMFYSA-N 2 1 307.441 3.373 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3C)C1 ZINC001206269342 1091557793 /nfs/dbraw/zinc/55/77/93/1091557793.db2.gz KJYHTRJMBYGPTG-HNNXBMFYSA-N 2 1 307.441 3.373 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001206269839 1091558517 /nfs/dbraw/zinc/55/85/17/1091558517.db2.gz WDGXKQWMFKPHLI-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001206269839 1091558523 /nfs/dbraw/zinc/55/85/23/1091558523.db2.gz WDGXKQWMFKPHLI-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C1 ZINC001206287420 1091564179 /nfs/dbraw/zinc/56/41/79/1091564179.db2.gz ZVZDSPNVVUSTEV-KRWDZBQOSA-N 2 1 323.484 3.461 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C1 ZINC001206287420 1091564184 /nfs/dbraw/zinc/56/41/84/1091564184.db2.gz ZVZDSPNVVUSTEV-KRWDZBQOSA-N 2 1 323.484 3.461 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2c1 ZINC001206303031 1091568912 /nfs/dbraw/zinc/56/89/12/1091568912.db2.gz AJLYAOKQNHSCRR-GOSISDBHSA-N 2 1 302.418 3.392 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001206311406 1091573330 /nfs/dbraw/zinc/57/33/30/1091573330.db2.gz NXOGWAGDHSONCQ-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccnc2C(F)(F)F)CC1 ZINC001206318975 1091577292 /nfs/dbraw/zinc/57/72/92/1091577292.db2.gz WLOVQMZQCLRWJZ-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2C(F)(F)F)CC1 ZINC001206318627 1091577913 /nfs/dbraw/zinc/57/79/13/1091577913.db2.gz SCUXKVBKWMNJHQ-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001206327302 1091580995 /nfs/dbraw/zinc/58/09/95/1091580995.db2.gz VBYGPSPAFGBNAY-LJQANCHMSA-N 2 1 316.493 3.023 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2n1 ZINC001206351650 1091590684 /nfs/dbraw/zinc/59/06/84/1091590684.db2.gz HDQVFCDRBYONSN-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2n1 ZINC001206351650 1091590690 /nfs/dbraw/zinc/59/06/90/1091590690.db2.gz HDQVFCDRBYONSN-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001206352620 1091593166 /nfs/dbraw/zinc/59/31/66/1091593166.db2.gz ZFYBSSCWBFKZII-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001206352620 1091593172 /nfs/dbraw/zinc/59/31/72/1091593172.db2.gz ZFYBSSCWBFKZII-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206363079 1091600226 /nfs/dbraw/zinc/60/02/26/1091600226.db2.gz UAPARZMZYUCHCC-GOSISDBHSA-N 2 1 301.409 3.130 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206363079 1091600230 /nfs/dbraw/zinc/60/02/30/1091600230.db2.gz UAPARZMZYUCHCC-GOSISDBHSA-N 2 1 301.409 3.130 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)cc1CC ZINC001139626693 1091626996 /nfs/dbraw/zinc/62/69/96/1091626996.db2.gz WYEGVZNFIQNJQQ-ROUUACIJSA-N 2 1 302.462 3.031 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139645044 1091632939 /nfs/dbraw/zinc/63/29/39/1091632939.db2.gz ZXXZOHNMHXDXFS-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139645044 1091632946 /nfs/dbraw/zinc/63/29/46/1091632946.db2.gz ZXXZOHNMHXDXFS-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139645044 1091632950 /nfs/dbraw/zinc/63/29/50/1091632950.db2.gz ZXXZOHNMHXDXFS-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP CC(C)(C)c1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)c1 ZINC001206520216 1091657704 /nfs/dbraw/zinc/65/77/04/1091657704.db2.gz QTHANRVLSUPPMS-YJBOKZPZSA-N 2 1 318.505 3.033 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)c1 ZINC001206520216 1091657710 /nfs/dbraw/zinc/65/77/10/1091657710.db2.gz QTHANRVLSUPPMS-YJBOKZPZSA-N 2 1 318.505 3.033 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001206563501 1091670505 /nfs/dbraw/zinc/67/05/05/1091670505.db2.gz DXWXTHKLWWFSLM-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c21 ZINC001206564481 1091671692 /nfs/dbraw/zinc/67/16/92/1091671692.db2.gz OQUCFUGFNYYCOO-SFHVURJKSA-N 2 1 301.434 3.127 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC(C)C)c1 ZINC001206573453 1091673690 /nfs/dbraw/zinc/67/36/90/1091673690.db2.gz KXTPIBKRIXUPDX-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC(C)C)c1 ZINC001206573453 1091673695 /nfs/dbraw/zinc/67/36/95/1091673695.db2.gz KXTPIBKRIXUPDX-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206588931 1091679461 /nfs/dbraw/zinc/67/94/61/1091679461.db2.gz DKCIKXLCXAKIFN-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP COc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206588931 1091679463 /nfs/dbraw/zinc/67/94/63/1091679463.db2.gz DKCIKXLCXAKIFN-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206592268 1091681785 /nfs/dbraw/zinc/68/17/85/1091681785.db2.gz ZZHUMNFYZCPDAH-GOSISDBHSA-N 2 1 318.461 3.216 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606156 1091686947 /nfs/dbraw/zinc/68/69/47/1091686947.db2.gz FVFXYGJZJDDZFZ-QGZVFWFLSA-N 2 1 312.498 3.341 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1OCC ZINC001206615542 1091690032 /nfs/dbraw/zinc/69/00/32/1091690032.db2.gz IAJZXQQMSPPNGU-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206617063 1091691680 /nfs/dbraw/zinc/69/16/80/1091691680.db2.gz ZTEUYGOJMKYBOE-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206617063 1091691687 /nfs/dbraw/zinc/69/16/87/1091691687.db2.gz ZTEUYGOJMKYBOE-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206623516 1091693368 /nfs/dbraw/zinc/69/33/68/1091693368.db2.gz MNLAAJMQQPOHNC-MRXNPFEDSA-N 2 1 318.461 3.203 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001206622512 1091693596 /nfs/dbraw/zinc/69/35/96/1091693596.db2.gz DOEJQCUVROINGN-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001206623260 1091693691 /nfs/dbraw/zinc/69/36/91/1091693691.db2.gz KNCPTKAQDAIWTJ-OAHLLOKOSA-N 2 1 313.420 3.449 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C(F)(F)F)ccc3C)C[C@H]2C1 ZINC001139888859 1091703790 /nfs/dbraw/zinc/70/37/90/1091703790.db2.gz NHBLJCODFXDECJ-GASCZTMLSA-N 2 1 312.379 3.397 20 0 DGADMP C[NH+](C)CC(C)(C)CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001168766847 1091705573 /nfs/dbraw/zinc/70/55/73/1091705573.db2.gz UMPMSAGWQPWRBV-UHFFFAOYSA-N 2 1 300.450 3.441 20 0 DGADMP C[C@@]1(F)CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@H]1F ZINC001206744247 1091720064 /nfs/dbraw/zinc/72/00/64/1091720064.db2.gz HGNGVVKYCNKVJP-SJLPKXTDSA-N 2 1 319.399 3.017 20 0 DGADMP C[C@@]1(F)CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@H]1F ZINC001206744247 1091720070 /nfs/dbraw/zinc/72/00/70/1091720070.db2.gz HGNGVVKYCNKVJP-SJLPKXTDSA-N 2 1 319.399 3.017 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)cc1 ZINC001206745070 1091722059 /nfs/dbraw/zinc/72/20/59/1091722059.db2.gz OKSNMRDNYXCYGF-UHFFFAOYSA-N 2 1 309.457 3.200 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1OCC1CC1 ZINC001206768168 1091732265 /nfs/dbraw/zinc/73/22/65/1091732265.db2.gz IDOBYSVDHGQCSH-YOEHRIQHSA-N 2 1 318.461 3.043 20 0 DGADMP c1ccc2cc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)ncc2c1 ZINC001140001730 1091736386 /nfs/dbraw/zinc/73/63/86/1091736386.db2.gz YTRUMISLXBPQJK-LJQANCHMSA-N 2 1 305.381 3.283 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001140023556 1091742254 /nfs/dbraw/zinc/74/22/54/1091742254.db2.gz QMBDNKBQRBTAFX-HKUYNNGSSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001140025951 1091743600 /nfs/dbraw/zinc/74/36/00/1091743600.db2.gz GZWKHCIUAMONMK-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@H](C)C[NH+](C)C)n2c1 ZINC001206801301 1091746032 /nfs/dbraw/zinc/74/60/32/1091746032.db2.gz VBNHCRSEFRJBMQ-SJLPKXTDSA-N 2 1 314.477 3.195 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H](C)C[NH+](C)C)n2c1 ZINC001206801301 1091746035 /nfs/dbraw/zinc/74/60/35/1091746035.db2.gz VBNHCRSEFRJBMQ-SJLPKXTDSA-N 2 1 314.477 3.195 20 0 DGADMP COc1ccc2sc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206808142 1091749518 /nfs/dbraw/zinc/74/95/18/1091749518.db2.gz JVNXPEGWKSNEMY-CHWSQXEVSA-N 2 1 304.459 3.469 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206811468 1091751201 /nfs/dbraw/zinc/75/12/01/1091751201.db2.gz UYYVJQCWETUCQP-WBVHZDCISA-N 3 1 313.489 3.247 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206811468 1091751208 /nfs/dbraw/zinc/75/12/08/1091751208.db2.gz UYYVJQCWETUCQP-WBVHZDCISA-N 2 1 313.489 3.247 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC3(CN(C4CCCC4)C3)C2)CC1 ZINC001276496520 1091758038 /nfs/dbraw/zinc/75/80/38/1091758038.db2.gz FARQJSBMRNDEKV-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276496520 1091758044 /nfs/dbraw/zinc/75/80/44/1091758044.db2.gz FARQJSBMRNDEKV-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276496520 1091758051 /nfs/dbraw/zinc/75/80/51/1091758051.db2.gz FARQJSBMRNDEKV-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@@H]2C1 ZINC001140314548 1091821909 /nfs/dbraw/zinc/82/19/09/1091821909.db2.gz BOIIRWBCGXMLCU-MJGOQNOKSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3-c3cccnc3)C[C@@H]2C1 ZINC001140314548 1091821914 /nfs/dbraw/zinc/82/19/14/1091821914.db2.gz BOIIRWBCGXMLCU-MJGOQNOKSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3cccnc3)C[C@@H]2C1 ZINC001140314548 1091821924 /nfs/dbraw/zinc/82/19/24/1091821924.db2.gz BOIIRWBCGXMLCU-MJGOQNOKSA-N 2 1 307.441 3.132 20 0 DGADMP c1[nH+]c(CN2CC[NH+](CC3CCCCC3)CC2)n2ccccc12 ZINC001207049307 1091828626 /nfs/dbraw/zinc/82/86/26/1091828626.db2.gz RVGKUMKQXUCJNJ-UHFFFAOYSA-N 2 1 312.461 3.032 20 0 DGADMP CN(Cc1[nH+]cc2ccccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207049115 1091828887 /nfs/dbraw/zinc/82/88/87/1091828887.db2.gz ORIDEVHUGQKCCV-LJQANCHMSA-N 2 1 320.440 3.041 20 0 DGADMP CN(Cc1[nH+]cc2ccccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207049115 1091828894 /nfs/dbraw/zinc/82/88/94/1091828894.db2.gz ORIDEVHUGQKCCV-LJQANCHMSA-N 2 1 320.440 3.041 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140340552 1091835808 /nfs/dbraw/zinc/83/58/08/1091835808.db2.gz ZZTBSYFUVJHOEO-CALCHBBNSA-N 2 1 313.470 3.194 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140340552 1091835814 /nfs/dbraw/zinc/83/58/14/1091835814.db2.gz ZZTBSYFUVJHOEO-CALCHBBNSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140340552 1091835823 /nfs/dbraw/zinc/83/58/23/1091835823.db2.gz ZZTBSYFUVJHOEO-CALCHBBNSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140340552 1091835830 /nfs/dbraw/zinc/83/58/30/1091835830.db2.gz ZZTBSYFUVJHOEO-CALCHBBNSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)C1 ZINC001140381569 1091844556 /nfs/dbraw/zinc/84/45/56/1091844556.db2.gz DPZZXQLZGXFFJZ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)C1 ZINC001140381569 1091844567 /nfs/dbraw/zinc/84/45/67/1091844567.db2.gz DPZZXQLZGXFFJZ-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP CCCOc1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC001207175398 1091875836 /nfs/dbraw/zinc/87/58/36/1091875836.db2.gz UEKQAAHPXUETPH-ZWKOTPCHSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001207175398 1091875845 /nfs/dbraw/zinc/87/58/45/1091875845.db2.gz UEKQAAHPXUETPH-ZWKOTPCHSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001207175398 1091875853 /nfs/dbraw/zinc/87/58/53/1091875853.db2.gz UEKQAAHPXUETPH-ZWKOTPCHSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1C ZINC001207175398 1091875860 /nfs/dbraw/zinc/87/58/60/1091875860.db2.gz UEKQAAHPXUETPH-ZWKOTPCHSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC001207175398 1091875868 /nfs/dbraw/zinc/87/58/68/1091875868.db2.gz UEKQAAHPXUETPH-ZWKOTPCHSA-N 2 1 302.462 3.310 20 0 DGADMP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193126 1091883574 /nfs/dbraw/zinc/88/35/74/1091883574.db2.gz RSBGUBVBGOAYPK-GDBMZVCRSA-N 2 1 301.821 3.198 20 0 DGADMP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193126 1091883576 /nfs/dbraw/zinc/88/35/76/1091883576.db2.gz RSBGUBVBGOAYPK-GDBMZVCRSA-N 2 1 301.821 3.198 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC001207237735 1091897653 /nfs/dbraw/zinc/89/76/53/1091897653.db2.gz PCICMJFAGQXETL-SFHVURJKSA-N 2 1 312.413 3.060 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC001207237735 1091897663 /nfs/dbraw/zinc/89/76/63/1091897663.db2.gz PCICMJFAGQXETL-SFHVURJKSA-N 2 1 312.413 3.060 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC[C@H]1CC=C(C)C1(C)C ZINC001207281348 1091908899 /nfs/dbraw/zinc/90/88/99/1091908899.db2.gz ZQCNKCQJXSCYCY-QGZVFWFLSA-N 2 1 324.509 3.186 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207283962 1091910009 /nfs/dbraw/zinc/91/00/09/1091910009.db2.gz GFGATTRHDSVCHP-KRWDZBQOSA-N 2 1 318.461 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001207287230 1091912441 /nfs/dbraw/zinc/91/24/41/1091912441.db2.gz QRNXXQLEHJPGHW-QGZVFWFLSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001207286369 1091912967 /nfs/dbraw/zinc/91/29/67/1091912967.db2.gz HPUQJGWYVFAJGR-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCOCC34CCC4)CC2)cc1 ZINC001207292730 1091914117 /nfs/dbraw/zinc/91/41/17/1091914117.db2.gz XRLLRHALPRHERT-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@@H+]3Cc4ccncc4C3)CC2)cc1 ZINC001207291160 1091914450 /nfs/dbraw/zinc/91/44/50/1091914450.db2.gz LXRSRQMIIWDJGF-UHFFFAOYSA-N 2 1 307.441 3.309 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3Cc4ccncc4C3)CC2)cc1 ZINC001207291160 1091914455 /nfs/dbraw/zinc/91/44/55/1091914455.db2.gz LXRSRQMIIWDJGF-UHFFFAOYSA-N 2 1 307.441 3.309 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CCC[N@@H+](COCCOC)C2)CC1 ZINC001276526743 1091937631 /nfs/dbraw/zinc/93/76/31/1091937631.db2.gz ZAHIZQIJTCBYHP-PLNGDYQASA-N 2 1 324.509 3.141 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276529199 1091951363 /nfs/dbraw/zinc/95/13/63/1091951363.db2.gz BZABCFBLHPVBPS-UHFFFAOYSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)CCC[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276529180 1091951763 /nfs/dbraw/zinc/95/17/63/1091951763.db2.gz BCQKJPKPUZGLFY-IBGZPJMESA-N 2 1 309.542 3.162 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)CC1 ZINC001207398346 1091954152 /nfs/dbraw/zinc/95/41/52/1091954152.db2.gz JLQDTHINHWXSHB-UHFFFAOYSA-N 2 1 312.379 3.405 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC1 ZINC001207402760 1091956291 /nfs/dbraw/zinc/95/62/91/1091956291.db2.gz NPDAQXCTXMMCHB-HXUWFJFHSA-N 2 1 316.464 3.447 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001207426284 1091963826 /nfs/dbraw/zinc/96/38/26/1091963826.db2.gz ZGZJPDIYVDWOPN-UHFFFAOYSA-N 2 1 315.848 3.408 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706578 1091965618 /nfs/dbraw/zinc/96/56/18/1091965618.db2.gz UKDMRYHQAJWGJN-MISYRCLQSA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706578 1091965623 /nfs/dbraw/zinc/96/56/23/1091965623.db2.gz UKDMRYHQAJWGJN-MISYRCLQSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706578 1091965628 /nfs/dbraw/zinc/96/56/28/1091965628.db2.gz UKDMRYHQAJWGJN-MISYRCLQSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc[nH]c3)C[C@H]21 ZINC001140706578 1091965633 /nfs/dbraw/zinc/96/56/33/1091965633.db2.gz UKDMRYHQAJWGJN-MISYRCLQSA-N 2 1 324.472 3.142 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3ncn(C)c3c2)CC1 ZINC001140742887 1091982433 /nfs/dbraw/zinc/98/24/33/1091982433.db2.gz OXSFIXHWYZGODZ-UHFFFAOYSA-N 2 1 314.477 3.270 20 0 DGADMP C[NH+]1CCC(CC[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001207483208 1091982496 /nfs/dbraw/zinc/98/24/96/1091982496.db2.gz IKVLHYGOPPSBRN-HSALFYBXSA-N 2 1 320.521 3.245 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001207486766 1091984100 /nfs/dbraw/zinc/98/41/00/1091984100.db2.gz CMUXSAUFHLITCU-CQSZACIVSA-N 2 1 316.371 3.075 20 0 DGADMP CN1CCC([N@@H+](CCC2CC[NH+](C)CC2)C2CCCC2)CC1 ZINC001207488030 1091986900 /nfs/dbraw/zinc/98/69/00/1091986900.db2.gz CMRWNLNPKFXXTB-UHFFFAOYSA-N 2 1 307.526 3.057 20 0 DGADMP CC[C@H]1CCCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971135 1092089614 /nfs/dbraw/zinc/08/96/14/1092089614.db2.gz ISQXZXXYKFFZNC-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001140970705 1092090306 /nfs/dbraw/zinc/09/03/06/1092090306.db2.gz QTHZNDYQHQYMBN-HDICACEKSA-N 2 1 313.489 3.060 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+][C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207769200 1092094555 /nfs/dbraw/zinc/09/45/55/1092094555.db2.gz ZSZVFBVKAPLJPF-FYQPLNBISA-N 2 1 314.473 3.056 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)c(O)c(F)c2)CC1 ZINC001140989680 1092096442 /nfs/dbraw/zinc/09/64/42/1092096442.db2.gz AVFPLFWCNIGYKX-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)c(O)c(F)c2)CC1 ZINC001140989680 1092096447 /nfs/dbraw/zinc/09/64/47/1092096447.db2.gz AVFPLFWCNIGYKX-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)ccc2O1 ZINC001207837649 1092112940 /nfs/dbraw/zinc/11/29/40/1092112940.db2.gz RPWVZDGFRTZBIQ-AWEZNQCLSA-N 2 1 302.462 3.363 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)ccc2O1 ZINC001207837649 1092112948 /nfs/dbraw/zinc/11/29/48/1092112948.db2.gz RPWVZDGFRTZBIQ-AWEZNQCLSA-N 2 1 302.462 3.363 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnccc4C)C[C@@H]3C2)cc1 ZINC001141033890 1092113217 /nfs/dbraw/zinc/11/32/17/1092113217.db2.gz IGOOCJPVKIRTGY-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnccc4C)C[C@@H]3C2)cc1 ZINC001141033890 1092113221 /nfs/dbraw/zinc/11/32/21/1092113221.db2.gz IGOOCJPVKIRTGY-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnccc4C)C[C@@H]3C2)cc1 ZINC001141033890 1092113229 /nfs/dbraw/zinc/11/32/29/1092113229.db2.gz IGOOCJPVKIRTGY-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnccc4C)C[C@@H]3C2)cc1 ZINC001141033890 1092113232 /nfs/dbraw/zinc/11/32/32/1092113232.db2.gz IGOOCJPVKIRTGY-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccn2ccnc2c1 ZINC001141046471 1092118318 /nfs/dbraw/zinc/11/83/18/1092118318.db2.gz BIUNVQZKMKOIAV-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141046471 1092118322 /nfs/dbraw/zinc/11/83/22/1092118322.db2.gz BIUNVQZKMKOIAV-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccn2ccnc2c1 ZINC001141046471 1092118329 /nfs/dbraw/zinc/11/83/29/1092118329.db2.gz BIUNVQZKMKOIAV-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141181392 1092163272 /nfs/dbraw/zinc/16/32/72/1092163272.db2.gz DGXNNHJYGBBZKU-MSOLQXFVSA-N 2 1 314.473 3.174 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141181392 1092163276 /nfs/dbraw/zinc/16/32/76/1092163276.db2.gz DGXNNHJYGBBZKU-MSOLQXFVSA-N 2 1 314.473 3.174 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC001141181392 1092163284 /nfs/dbraw/zinc/16/32/84/1092163284.db2.gz DGXNNHJYGBBZKU-MSOLQXFVSA-N 2 1 314.473 3.174 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208106501 1092197267 /nfs/dbraw/zinc/19/72/67/1092197267.db2.gz FYJZVMPNVGDGOI-MRXNPFEDSA-N 2 1 302.462 3.216 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208107634 1092198843 /nfs/dbraw/zinc/19/88/43/1092198843.db2.gz XHDYSDOSPBRBCW-KRWDZBQOSA-N 2 1 302.462 3.180 20 0 DGADMP CC/C=C\CCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001208135890 1092209975 /nfs/dbraw/zinc/20/99/75/1092209975.db2.gz MIJZQWCXCKHCHE-PSCPARJHSA-N 2 1 320.521 3.413 20 0 DGADMP CC/C=C\CCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001208135890 1092209988 /nfs/dbraw/zinc/20/99/88/1092209988.db2.gz MIJZQWCXCKHCHE-PSCPARJHSA-N 2 1 320.521 3.413 20 0 DGADMP CC/C=C\CCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001208135890 1092210005 /nfs/dbraw/zinc/21/00/05/1092210005.db2.gz MIJZQWCXCKHCHE-PSCPARJHSA-N 2 1 320.521 3.413 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)CCCC1 ZINC001208188090 1092248009 /nfs/dbraw/zinc/24/80/09/1092248009.db2.gz SOEGUAPPDSVFHS-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCOC[C@@H]2C2CCCCC2)CCCC1 ZINC001208188090 1092248018 /nfs/dbraw/zinc/24/80/18/1092248018.db2.gz SOEGUAPPDSVFHS-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4nc(C)ccc4c3)C[C@@H]2C1 ZINC001141484933 1092255920 /nfs/dbraw/zinc/25/59/20/1092255920.db2.gz GLNCRINPUKVEMX-OALUTQOASA-N 2 1 309.457 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208197184 1092256886 /nfs/dbraw/zinc/25/68/86/1092256886.db2.gz IFLGIWJJNRFFRQ-PMACEKPBSA-N 2 1 324.443 3.432 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)s2)CCC[C@@H]1C[NH3+] ZINC001205991737 1092340601 /nfs/dbraw/zinc/34/06/01/1092340601.db2.gz BUMBEVDHAZSJMB-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC(C)(C(=O)OC)CC2)CC1 ZINC001168795606 1092366287 /nfs/dbraw/zinc/36/62/87/1092366287.db2.gz CEMHEWRCVXRARS-UHFFFAOYSA-N 2 1 324.509 3.305 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001208582603 1092407534 /nfs/dbraw/zinc/40/75/34/1092407534.db2.gz LDRGWFKIOPMGOQ-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](C)[C@H]1CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208587966 1092411675 /nfs/dbraw/zinc/41/16/75/1092411675.db2.gz BQYBFDKXARVPGF-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1nc(C)c(CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)[nH]1 ZINC001276570222 1092418867 /nfs/dbraw/zinc/41/88/67/1092418867.db2.gz LSZOQAXDJVFICY-IBGZPJMESA-N 2 1 316.493 3.257 20 0 DGADMP Cc1[nH]c(CN2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c(C)[nH+]1 ZINC001276570222 1092418873 /nfs/dbraw/zinc/41/88/73/1092418873.db2.gz LSZOQAXDJVFICY-IBGZPJMESA-N 2 1 316.493 3.257 20 0 DGADMP Cc1[nH]c(CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c(C)[nH+]1 ZINC001276570222 1092418883 /nfs/dbraw/zinc/41/88/83/1092418883.db2.gz LSZOQAXDJVFICY-IBGZPJMESA-N 2 1 316.493 3.257 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001208600421 1092420279 /nfs/dbraw/zinc/42/02/79/1092420279.db2.gz RHJIFGDOESXANT-LJQANCHMSA-N 2 1 302.462 3.262 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001208601711 1092422619 /nfs/dbraw/zinc/42/26/19/1092422619.db2.gz RKFPYIYTBKFJMG-RBUKOAKNSA-N 3 1 307.526 3.057 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001208601711 1092422622 /nfs/dbraw/zinc/42/26/22/1092422622.db2.gz RKFPYIYTBKFJMG-RBUKOAKNSA-N 3 1 307.526 3.057 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001208601711 1092422627 /nfs/dbraw/zinc/42/26/27/1092422627.db2.gz RKFPYIYTBKFJMG-RBUKOAKNSA-N 3 1 307.526 3.057 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607371 1092424220 /nfs/dbraw/zinc/42/42/20/1092424220.db2.gz MQQPLVDABJYBBL-ROUUACIJSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607371 1092424228 /nfs/dbraw/zinc/42/42/28/1092424228.db2.gz MQQPLVDABJYBBL-ROUUACIJSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607371 1092424233 /nfs/dbraw/zinc/42/42/33/1092424233.db2.gz MQQPLVDABJYBBL-ROUUACIJSA-N 2 1 302.462 3.180 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1OC ZINC001208609096 1092425022 /nfs/dbraw/zinc/42/50/22/1092425022.db2.gz UUDLWBNKOLCXKB-DOTOQJQBSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1OC ZINC001208609096 1092425028 /nfs/dbraw/zinc/42/50/28/1092425028.db2.gz UUDLWBNKOLCXKB-DOTOQJQBSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC001208609096 1092425035 /nfs/dbraw/zinc/42/50/35/1092425035.db2.gz UUDLWBNKOLCXKB-DOTOQJQBSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC001208609096 1092425039 /nfs/dbraw/zinc/42/50/39/1092425039.db2.gz UUDLWBNKOLCXKB-DOTOQJQBSA-N 2 1 318.461 3.183 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612025 1092425409 /nfs/dbraw/zinc/42/54/09/1092425409.db2.gz KWAXIUBBHJCXIM-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612025 1092425412 /nfs/dbraw/zinc/42/54/12/1092425412.db2.gz KWAXIUBBHJCXIM-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612025 1092425420 /nfs/dbraw/zinc/42/54/20/1092425420.db2.gz KWAXIUBBHJCXIM-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612025 1092425423 /nfs/dbraw/zinc/42/54/23/1092425423.db2.gz KWAXIUBBHJCXIM-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)ccc(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001205994794 1092425944 /nfs/dbraw/zinc/42/59/44/1092425944.db2.gz MLLVRERFAVRKNI-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP Cc1cccc(OC2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC001208614441 1092427816 /nfs/dbraw/zinc/42/78/16/1092427816.db2.gz DIUXHJNWPDIDBL-KRWDZBQOSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC001208683446 1092454189 /nfs/dbraw/zinc/45/41/89/1092454189.db2.gz HMCCPKMOWXAIRK-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC001208683446 1092454195 /nfs/dbraw/zinc/45/41/95/1092454195.db2.gz HMCCPKMOWXAIRK-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001208683446 1092454200 /nfs/dbraw/zinc/45/42/00/1092454200.db2.gz HMCCPKMOWXAIRK-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001208683446 1092454206 /nfs/dbraw/zinc/45/42/06/1092454206.db2.gz HMCCPKMOWXAIRK-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)ccc4ccccc43)C[C@@H]2C1 ZINC001142380504 1092474437 /nfs/dbraw/zinc/47/44/37/1092474437.db2.gz SQQCCGWWTIFNNW-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)ccc4ccccc43)C[C@@H]2C1 ZINC001142380504 1092474448 /nfs/dbraw/zinc/47/44/48/1092474448.db2.gz SQQCCGWWTIFNNW-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)ccc4ccccc43)C[C@@H]2C1 ZINC001142380504 1092474457 /nfs/dbraw/zinc/47/44/57/1092474457.db2.gz SQQCCGWWTIFNNW-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)ccc4ccccc43)C[C@@H]2C1 ZINC001142380504 1092474464 /nfs/dbraw/zinc/47/44/64/1092474464.db2.gz SQQCCGWWTIFNNW-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCC(C)C)C2 ZINC001208733840 1092481078 /nfs/dbraw/zinc/48/10/78/1092481078.db2.gz WGXSHPANFJIRQQ-OALUTQOASA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCC(C)C)C2 ZINC001208733840 1092481085 /nfs/dbraw/zinc/48/10/85/1092481085.db2.gz WGXSHPANFJIRQQ-OALUTQOASA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCC(C)C)C2 ZINC001208733840 1092481092 /nfs/dbraw/zinc/48/10/92/1092481092.db2.gz WGXSHPANFJIRQQ-OALUTQOASA-N 2 1 308.510 3.103 20 0 DGADMP CC(C)CCC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001208735250 1092481460 /nfs/dbraw/zinc/48/14/60/1092481460.db2.gz JNVZERZTEKTERK-RTBURBONSA-N 2 1 308.510 3.245 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCOCc3ccccc3)C2)C1 ZINC001208815324 1092521036 /nfs/dbraw/zinc/52/10/36/1092521036.db2.gz RXVRYCGHEYLIHT-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCOCc3ccccc3)C2)C1 ZINC001208815324 1092521045 /nfs/dbraw/zinc/52/10/45/1092521045.db2.gz RXVRYCGHEYLIHT-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCCOCc3ccccc3)C2)C1 ZINC001208815324 1092521058 /nfs/dbraw/zinc/52/10/58/1092521058.db2.gz RXVRYCGHEYLIHT-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208815807 1092521495 /nfs/dbraw/zinc/52/14/95/1092521495.db2.gz PTFVLUIZAXJGKN-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208815807 1092521508 /nfs/dbraw/zinc/52/15/08/1092521508.db2.gz PTFVLUIZAXJGKN-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208815807 1092521521 /nfs/dbraw/zinc/52/15/21/1092521521.db2.gz PTFVLUIZAXJGKN-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CN1CCC[C@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814992 1092522295 /nfs/dbraw/zinc/52/22/95/1092522295.db2.gz MZLQOWYDCHWGQA-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3[nH]cnc32)CC1 ZINC001142686500 1092526797 /nfs/dbraw/zinc/52/67/97/1092526797.db2.gz DWGIJXWTTGVZJU-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc3nc[nH]c32)CC1 ZINC001142686500 1092526808 /nfs/dbraw/zinc/52/68/08/1092526808.db2.gz DWGIJXWTTGVZJU-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3nc[nH]c32)CC1 ZINC001142686500 1092526819 /nfs/dbraw/zinc/52/68/19/1092526819.db2.gz DWGIJXWTTGVZJU-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CCO)c1cccc3ccccc31)C2 ZINC001169100258 1092530733 /nfs/dbraw/zinc/53/07/33/1092530733.db2.gz HNXOUDGZKSNPCY-DCXXXQMHSA-N 2 1 324.468 3.478 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001169102314 1092531875 /nfs/dbraw/zinc/53/18/75/1092531875.db2.gz ZMMYACPWFRJNDT-PNBKFKSVSA-N 2 1 305.853 3.401 20 0 DGADMP COc1ccc(CC(C)(C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169116884 1092539295 /nfs/dbraw/zinc/53/92/95/1092539295.db2.gz SNKXVNUNCSKXIK-BJWYYQGGSA-N 2 1 302.462 3.231 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3cc(F)ccc31)C2 ZINC001169091154 1092540546 /nfs/dbraw/zinc/54/05/46/1092540546.db2.gz OJYUVCJTJPTPDS-MUJYYYPQSA-N 2 1 301.409 3.079 20 0 DGADMP COc1cccc(CC(C)(C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169118591 1092541342 /nfs/dbraw/zinc/54/13/42/1092541342.db2.gz KZCUPVHCWOSXBZ-BJWYYQGGSA-N 2 1 302.462 3.231 20 0 DGADMP CCN(C)c1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]cc1C ZINC001169138360 1092549986 /nfs/dbraw/zinc/54/99/86/1092549986.db2.gz PZCJOTUPUDPGIX-KDOFPFPSSA-N 2 1 319.497 3.197 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(F)c3)CC1)C2 ZINC001169139814 1092551076 /nfs/dbraw/zinc/55/10/76/1092551076.db2.gz FBEXASBSNIZKIK-FVQHAEBGSA-N 2 1 318.436 3.294 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(COc3ccccc3)CC1)C2 ZINC001169139271 1092551459 /nfs/dbraw/zinc/55/14/59/1092551459.db2.gz AIHKXRWHXMSDOR-BWTSREIZSA-N 2 1 314.473 3.403 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108540 1092553648 /nfs/dbraw/zinc/55/36/48/1092553648.db2.gz AYVTWQWBFLKPNH-QDMKHBRRSA-N 2 1 323.278 3.472 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(C[NH3+])cc1C(F)(F)F)C2 ZINC001169109429 1092554639 /nfs/dbraw/zinc/55/46/39/1092554639.db2.gz IIYPVXCSFUSONA-CLLJXQQHSA-N 2 1 313.367 3.201 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001169108350 1092554658 /nfs/dbraw/zinc/55/46/58/1092554658.db2.gz RSJXDWKXYRFKET-JONQDZQNSA-N 2 1 309.457 3.255 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C[C@@H]3CCC=CO3)CC1)C2 ZINC001208879882 1092560734 /nfs/dbraw/zinc/56/07/34/1092560734.db2.gz IRYULPJGMAFTPS-FQEVSTJZSA-N 2 1 312.457 3.202 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C[C@@H]3CCC=CO3)CC1)C2 ZINC001208879882 1092560741 /nfs/dbraw/zinc/56/07/41/1092560741.db2.gz IRYULPJGMAFTPS-FQEVSTJZSA-N 2 1 312.457 3.202 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C[C@@H]4CCC=CO4)CC[C@@H]3C2)cc1 ZINC001208882960 1092563915 /nfs/dbraw/zinc/56/39/15/1092563915.db2.gz QASUOGNSQQPXDW-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@@H]4CCC=CO4)CC[C@@H]3C2)cc1 ZINC001208882960 1092563922 /nfs/dbraw/zinc/56/39/22/1092563922.db2.gz QASUOGNSQQPXDW-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3ccc(O)cc3)CC1)C2 ZINC001169152636 1092566504 /nfs/dbraw/zinc/56/65/04/1092566504.db2.gz CWQKVHHQPXHVBR-BCDXTJNWSA-N 2 1 300.446 3.197 20 0 DGADMP COc1c(F)cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)cc1F ZINC001276598309 1092583359 /nfs/dbraw/zinc/58/33/59/1092583359.db2.gz XVJYBCBNCPSNOG-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1c(F)cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1F ZINC001276598309 1092583369 /nfs/dbraw/zinc/58/33/69/1092583369.db2.gz XVJYBCBNCPSNOG-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1c(F)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1F ZINC001276598309 1092583380 /nfs/dbraw/zinc/58/33/80/1092583380.db2.gz XVJYBCBNCPSNOG-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCC[N@H+](CCOC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927718 1092590797 /nfs/dbraw/zinc/59/07/97/1092590797.db2.gz DHUFTSGEVCXVEP-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CCC[N@@H+](CCOC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927718 1092590808 /nfs/dbraw/zinc/59/08/08/1092590808.db2.gz DHUFTSGEVCXVEP-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](CCOC)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927718 1092590818 /nfs/dbraw/zinc/59/08/18/1092590818.db2.gz DHUFTSGEVCXVEP-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](CCOC)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927718 1092590827 /nfs/dbraw/zinc/59/08/27/1092590827.db2.gz DHUFTSGEVCXVEP-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP C[N@@H+](CC1CCOCC1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930376 1092593618 /nfs/dbraw/zinc/59/36/18/1092593618.db2.gz APKRPPZMRFFKRM-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CC1CCOCC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930376 1092593624 /nfs/dbraw/zinc/59/36/24/1092593624.db2.gz APKRPPZMRFFKRM-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CC1CCOCC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930376 1092593632 /nfs/dbraw/zinc/59/36/32/1092593632.db2.gz APKRPPZMRFFKRM-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP CCO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938132 1092599414 /nfs/dbraw/zinc/59/94/14/1092599414.db2.gz WYUPJRBNPALFMF-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938132 1092599422 /nfs/dbraw/zinc/59/94/22/1092599422.db2.gz WYUPJRBNPALFMF-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938132 1092599430 /nfs/dbraw/zinc/59/94/30/1092599430.db2.gz WYUPJRBNPALFMF-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208936690 1092599563 /nfs/dbraw/zinc/59/95/63/1092599563.db2.gz OYXPQBGJKTWXLI-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CC1(C)C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208936690 1092599573 /nfs/dbraw/zinc/59/95/73/1092599573.db2.gz OYXPQBGJKTWXLI-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CC1(C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208936690 1092599580 /nfs/dbraw/zinc/59/95/80/1092599580.db2.gz OYXPQBGJKTWXLI-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937915 1092600844 /nfs/dbraw/zinc/60/08/44/1092600844.db2.gz WGLHTUQFTJGHMN-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208937915 1092600850 /nfs/dbraw/zinc/60/08/50/1092600850.db2.gz WGLHTUQFTJGHMN-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208937915 1092600853 /nfs/dbraw/zinc/60/08/53/1092600853.db2.gz WGLHTUQFTJGHMN-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948518 1092604936 /nfs/dbraw/zinc/60/49/36/1092604936.db2.gz QYGMXBMPASRRBA-YSIASYRMSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948518 1092604939 /nfs/dbraw/zinc/60/49/39/1092604939.db2.gz QYGMXBMPASRRBA-YSIASYRMSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948518 1092604947 /nfs/dbraw/zinc/60/49/47/1092604947.db2.gz QYGMXBMPASRRBA-YSIASYRMSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948518 1092604952 /nfs/dbraw/zinc/60/49/52/1092604952.db2.gz QYGMXBMPASRRBA-YSIASYRMSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947827 1092605804 /nfs/dbraw/zinc/60/58/04/1092605804.db2.gz DIPUTHSRGZLJHG-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947827 1092605807 /nfs/dbraw/zinc/60/58/07/1092605807.db2.gz DIPUTHSRGZLJHG-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947827 1092605810 /nfs/dbraw/zinc/60/58/10/1092605810.db2.gz DIPUTHSRGZLJHG-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(c3cccc(OC)c3)CC2)CC1 ZINC001169264367 1092607717 /nfs/dbraw/zinc/60/77/17/1092607717.db2.gz LMHZLEVRLHTDTH-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208953629 1092609290 /nfs/dbraw/zinc/60/92/90/1092609290.db2.gz RDZDJDPQCFCRQT-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208953629 1092609294 /nfs/dbraw/zinc/60/92/94/1092609294.db2.gz RDZDJDPQCFCRQT-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208953629 1092609328 /nfs/dbraw/zinc/60/93/28/1092609328.db2.gz RDZDJDPQCFCRQT-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](CC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC001169238874 1092611871 /nfs/dbraw/zinc/61/18/71/1092611871.db2.gz NHSKIDFYIJUQGN-INIZCTEOSA-N 2 1 312.498 3.207 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccn1Cc1ccccc1 ZINC001276607119 1092621674 /nfs/dbraw/zinc/62/16/74/1092621674.db2.gz BHXUXEUWQWZMSN-YQQQUEKLSA-N 2 1 309.457 3.251 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccn1Cc1ccccc1 ZINC001276607119 1092621676 /nfs/dbraw/zinc/62/16/76/1092621676.db2.gz BHXUXEUWQWZMSN-YQQQUEKLSA-N 2 1 309.457 3.251 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3cccnc3[nH]2)CC1 ZINC001143227073 1092638472 /nfs/dbraw/zinc/63/84/72/1092638472.db2.gz PAVHEKWVFPDKHK-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3cccnc3[nH]2)CC1 ZINC001143227073 1092638476 /nfs/dbraw/zinc/63/84/76/1092638476.db2.gz PAVHEKWVFPDKHK-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccc3c(c2)CCO3)CC1 ZINC001209149990 1092672598 /nfs/dbraw/zinc/67/25/98/1092672598.db2.gz QQMITKYTIDOKNM-UHFFFAOYSA-N 2 1 316.489 3.360 20 0 DGADMP CC(=O)OC(C)(C)CCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209154107 1092674200 /nfs/dbraw/zinc/67/42/00/1092674200.db2.gz JNVDCPJDDXKIJH-SFHVURJKSA-N 2 1 324.509 3.449 20 0 DGADMP C[N@@H+](CCCCOCc1ccccc1)CC1CC[NH+](C)CC1 ZINC001209258995 1092716008 /nfs/dbraw/zinc/71/60/08/1092716008.db2.gz NRTJFIJJVNUAFC-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001206632207 1092724096 /nfs/dbraw/zinc/72/40/96/1092724096.db2.gz HDCVORWGAVNUSG-CYBMUJFWSA-N 2 1 316.367 3.275 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001276635574 1092741293 /nfs/dbraw/zinc/74/12/93/1092741293.db2.gz OYAROUHRIZINMG-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276635574 1092741298 /nfs/dbraw/zinc/74/12/98/1092741298.db2.gz OYAROUHRIZINMG-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276635574 1092741303 /nfs/dbraw/zinc/74/13/03/1092741303.db2.gz OYAROUHRIZINMG-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)[nH]1 ZINC001209571200 1092832460 /nfs/dbraw/zinc/83/24/60/1092832460.db2.gz LXDOXXOFZMIGBK-UHFFFAOYSA-N 2 1 313.445 3.404 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209654538 1092865135 /nfs/dbraw/zinc/86/51/35/1092865135.db2.gz BGYRYYOKSNJGKO-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209654538 1092865142 /nfs/dbraw/zinc/86/51/42/1092865142.db2.gz BGYRYYOKSNJGKO-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209654538 1092865147 /nfs/dbraw/zinc/86/51/47/1092865147.db2.gz BGYRYYOKSNJGKO-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2nc3ccccc3cc2Cl)C1 ZINC001206640915 1092891043 /nfs/dbraw/zinc/89/10/43/1092891043.db2.gz OVEJMAHGMOMSLL-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2nc3ccccc3cc2Cl)C1 ZINC001206640915 1092891047 /nfs/dbraw/zinc/89/10/47/1092891047.db2.gz OVEJMAHGMOMSLL-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP Nc1cc[nH+]cc1C[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001209737948 1092897668 /nfs/dbraw/zinc/89/76/68/1092897668.db2.gz UQTSXZDYVRZUPZ-UHFFFAOYSA-N 2 1 306.413 3.286 20 0 DGADMP CCC[N@@H+]1CCc2c(N)sc(Nc3c[nH+]c(N)cc3C)c2C1 ZINC001209965951 1092996950 /nfs/dbraw/zinc/99/69/50/1092996950.db2.gz KFYOJZLEJXIFQQ-UHFFFAOYSA-N 2 1 317.462 3.128 20 0 DGADMP CCC[N@H+]1CCc2c(N)sc(Nc3c[nH+]c(N)cc3C)c2C1 ZINC001209965951 1092996961 /nfs/dbraw/zinc/99/69/61/1092996961.db2.gz KFYOJZLEJXIFQQ-UHFFFAOYSA-N 2 1 317.462 3.128 20 0 DGADMP CCC[C@@H](C)c1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)on1 ZINC001210261560 1093099949 /nfs/dbraw/zinc/09/99/49/1093099949.db2.gz BQQZIMLNIDBYIM-CYBMUJFWSA-N 2 1 315.421 3.126 20 0 DGADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276719212 1093940928 /nfs/dbraw/zinc/94/09/28/1093940928.db2.gz MYBKOUTUCUDMLI-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCCOC1)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276719212 1093940930 /nfs/dbraw/zinc/94/09/30/1093940930.db2.gz MYBKOUTUCUDMLI-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCCOC1)[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276719212 1093940931 /nfs/dbraw/zinc/94/09/31/1093940931.db2.gz MYBKOUTUCUDMLI-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP COc1ccc(CCC[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001276739707 1094190085 /nfs/dbraw/zinc/19/00/85/1094190085.db2.gz FIGMPVWZSKCLFJ-UHFFFAOYSA-N 2 1 316.489 3.436 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1C ZINC001119988165 1094336428 /nfs/dbraw/zinc/33/64/28/1094336428.db2.gz GDONRVAQCRKWST-RCCFBDPRSA-N 2 1 302.462 3.166 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(O)cc(Cl)c3)C[C@H]2C1 ZINC001119989318 1094336525 /nfs/dbraw/zinc/33/65/25/1094336525.db2.gz OPIIICWVTSMZSY-SQWLQELKSA-N 2 1 308.853 3.208 20 0 DGADMP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC001120255668 1094397147 /nfs/dbraw/zinc/39/71/47/1094397147.db2.gz CGJPODWSUNWEJT-JLYLLQBASA-N 2 1 314.473 3.375 20 0 DGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217725872 1094484910 /nfs/dbraw/zinc/48/49/10/1094484910.db2.gz VDXYVTCVMOSJMI-QGZVFWFLSA-N 2 1 322.412 3.279 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](OCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217761839 1094491731 /nfs/dbraw/zinc/49/17/31/1094491731.db2.gz AZGDOVRNZCTQFH-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@H]1CC[C@H]([NH3+])CC1 ZINC001217769428 1094492531 /nfs/dbraw/zinc/49/25/31/1094492531.db2.gz RFGWYIXOWUTZBQ-AFYVEPGGSA-N 2 1 316.489 3.431 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217769157 1094493190 /nfs/dbraw/zinc/49/31/90/1094493190.db2.gz MONYVXYQASLPBP-QWFCFKBJSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001217773388 1094493586 /nfs/dbraw/zinc/49/35/86/1094493586.db2.gz OPINRLICISCOGD-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP [NH3+]Cc1cccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001217823062 1094500387 /nfs/dbraw/zinc/50/03/87/1094500387.db2.gz LKUBKBVSMQFWIN-HXUWFJFHSA-N 2 1 310.441 3.327 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823498 1094500643 /nfs/dbraw/zinc/50/06/43/1094500643.db2.gz YYVQCNQFTLSHSM-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1CC[C@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC001217909643 1094515502 /nfs/dbraw/zinc/51/55/02/1094515502.db2.gz GRKUJUSOVGKRNP-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(CO[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001217913429 1094517282 /nfs/dbraw/zinc/51/72/82/1094517282.db2.gz ZUSSCDAHWKLHSP-INIZCTEOSA-N 2 1 322.880 3.321 20 0 DGADMP CC1(CO[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001217913432 1094517353 /nfs/dbraw/zinc/51/73/53/1094517353.db2.gz ZUSSCDAHWKLHSP-MRXNPFEDSA-N 2 1 322.880 3.321 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276765155 1094520836 /nfs/dbraw/zinc/52/08/36/1094520836.db2.gz RVZSOLGAKJNWLI-PKOBYXMFSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276765155 1094520846 /nfs/dbraw/zinc/52/08/46/1094520846.db2.gz RVZSOLGAKJNWLI-PKOBYXMFSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276765155 1094520853 /nfs/dbraw/zinc/52/08/53/1094520853.db2.gz RVZSOLGAKJNWLI-PKOBYXMFSA-N 2 1 310.526 3.372 20 0 DGADMP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217946544 1094524987 /nfs/dbraw/zinc/52/49/87/1094524987.db2.gz PEAYUFJXJYLXOD-HSALFYBXSA-N 2 1 308.425 3.155 20 0 DGADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678407 1094628791 /nfs/dbraw/zinc/62/87/91/1094628791.db2.gz DVOIHMNULXSCSM-HZPDHXFCSA-N 2 1 322.497 3.035 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC ZINC001135690542 1094636271 /nfs/dbraw/zinc/63/62/71/1094636271.db2.gz IPEBDZXKZMROIJ-SJORKVTESA-N 2 1 313.530 3.172 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](Oc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC001218178279 1094643870 /nfs/dbraw/zinc/64/38/70/1094643870.db2.gz OSTDTUYGRYXICZ-LJQANCHMSA-N 2 1 322.452 3.376 20 0 DGADMP CC1(C)[C@@H]2C[C@@H](Oc3ccccc3C[NH+]3CCC([NH3+])CC3)C[C@@H]21 ZINC001218325449 1094717303 /nfs/dbraw/zinc/71/73/03/1094717303.db2.gz FVAMZVRQYBVVBG-NNZMDNLPSA-N 2 1 314.473 3.423 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1C[NH3+] ZINC001218337330 1094724852 /nfs/dbraw/zinc/72/48/52/1094724852.db2.gz XDTPIJKDPYBFSX-QFBILLFUSA-N 2 1 310.441 3.435 20 0 DGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878897 1094796653 /nfs/dbraw/zinc/79/66/53/1094796653.db2.gz SOLIYDKAWXSTMO-HZPDHXFCSA-N 2 1 322.497 3.071 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC(C)(C)C[NH3+])cc1 ZINC001121903738 1094820464 /nfs/dbraw/zinc/82/04/64/1094820464.db2.gz KIQUOYHIEZXRPD-HNNXBMFYSA-N 2 1 317.477 3.375 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078005 1094995980 /nfs/dbraw/zinc/99/59/80/1094995980.db2.gz HEECVQXCCDEJDG-OBJOEFQTSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246103665 1095029751 /nfs/dbraw/zinc/02/97/51/1095029751.db2.gz XUDMIRRQVZYSOO-FEUHOPSXSA-N 2 1 302.796 3.279 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)[nH]1 ZINC000193879884 1095112808 /nfs/dbraw/zinc/11/28/08/1095112808.db2.gz YUAZSAGHJPFMKJ-UHFFFAOYSA-N 2 1 312.889 3.179 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)[nH]1 ZINC000193879884 1095112819 /nfs/dbraw/zinc/11/28/19/1095112819.db2.gz YUAZSAGHJPFMKJ-UHFFFAOYSA-N 2 1 312.889 3.179 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(O)cc4ccccc43)C[C@H]2CC1 ZINC001276817356 1095173727 /nfs/dbraw/zinc/17/37/27/1095173727.db2.gz CAIBAXJCVDNFMX-CALCHBBNSA-N 2 1 310.441 3.319 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(O)cc4ccccc43)C[C@H]2CC1 ZINC001276817356 1095173733 /nfs/dbraw/zinc/17/37/33/1095173733.db2.gz CAIBAXJCVDNFMX-CALCHBBNSA-N 2 1 310.441 3.319 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(O)cc4ccccc43)C[C@H]2CC1 ZINC001276817356 1095173737 /nfs/dbraw/zinc/17/37/37/1095173737.db2.gz CAIBAXJCVDNFMX-CALCHBBNSA-N 2 1 310.441 3.319 20 0 DGADMP CCCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316808602 1095193047 /nfs/dbraw/zinc/19/30/47/1095193047.db2.gz ODSGXQCDZSXLNU-QYZOEREBSA-N 2 1 302.462 3.371 20 0 DGADMP CCCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316808602 1095193049 /nfs/dbraw/zinc/19/30/49/1095193049.db2.gz ODSGXQCDZSXLNU-QYZOEREBSA-N 2 1 302.462 3.371 20 0 DGADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056014 1095214200 /nfs/dbraw/zinc/21/42/00/1095214200.db2.gz JOSHNGFMCYXRPU-RVKKMQEKSA-N 2 1 304.865 3.223 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1Cl ZINC001143369500 1095318001 /nfs/dbraw/zinc/31/80/01/1095318001.db2.gz RKNRRLBPZVAJOV-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001143942089 1095444670 /nfs/dbraw/zinc/44/46/70/1095444670.db2.gz GYAPFEQILMIROE-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532128 1095454524 /nfs/dbraw/zinc/45/45/24/1095454524.db2.gz UASGOEZEGNPSDS-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC(C)C ZINC001222148048 1095457604 /nfs/dbraw/zinc/45/76/04/1095457604.db2.gz IMHRTYWWNNDZIO-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC(C)C ZINC001222148048 1095457609 /nfs/dbraw/zinc/45/76/09/1095457609.db2.gz IMHRTYWWNNDZIO-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Clc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c[nH]c2c1 ZINC001222148167 1095457745 /nfs/dbraw/zinc/45/77/45/1095457745.db2.gz MUEMOKUMXAUVDF-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001222149280 1095459330 /nfs/dbraw/zinc/45/93/30/1095459330.db2.gz XFQALJAQGZCOJE-NRFANRHFSA-N 2 1 323.484 3.481 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccnc12 ZINC001222153881 1095461584 /nfs/dbraw/zinc/46/15/84/1095461584.db2.gz CAALGUFHXOLTBU-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1cccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccnc12 ZINC001222153881 1095461585 /nfs/dbraw/zinc/46/15/85/1095461585.db2.gz CAALGUFHXOLTBU-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155167 1095463241 /nfs/dbraw/zinc/46/32/41/1095463241.db2.gz XAWSVMIZSJCHQD-IBGZPJMESA-N 3 1 321.553 3.354 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155167 1095463246 /nfs/dbraw/zinc/46/32/46/1095463246.db2.gz XAWSVMIZSJCHQD-IBGZPJMESA-N 3 1 321.553 3.354 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167231 1095473669 /nfs/dbraw/zinc/47/36/69/1095473669.db2.gz IKSLWWREWREQLM-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167231 1095473675 /nfs/dbraw/zinc/47/36/75/1095473675.db2.gz IKSLWWREWREQLM-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP c1[nH]c2ccncc2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167677 1095473866 /nfs/dbraw/zinc/47/38/66/1095473866.db2.gz PBOTUCJLZCZWMI-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167677 1095473871 /nfs/dbraw/zinc/47/38/71/1095473871.db2.gz PBOTUCJLZCZWMI-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cc[nH]cc-2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167677 1095473876 /nfs/dbraw/zinc/47/38/76/1095473876.db2.gz PBOTUCJLZCZWMI-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP CCc1ncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222173329 1095479118 /nfs/dbraw/zinc/47/91/18/1095479118.db2.gz TVGITMXYRGGOEM-QGZVFWFLSA-N 2 1 307.507 3.451 20 0 DGADMP CCc1ncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222173329 1095479124 /nfs/dbraw/zinc/47/91/24/1095479124.db2.gz TVGITMXYRGGOEM-QGZVFWFLSA-N 2 1 307.507 3.451 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC001116292687 1095507957 /nfs/dbraw/zinc/50/79/57/1095507957.db2.gz BAQUPCJORBHIMC-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259133 1095515537 /nfs/dbraw/zinc/51/55/37/1095515537.db2.gz KXUAYOGPIIANTL-PKOBYXMFSA-N 2 1 310.526 3.419 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(C)c1C ZINC001222265351 1095519680 /nfs/dbraw/zinc/51/96/80/1095519680.db2.gz RUPFKTSIAXIZSK-IBGZPJMESA-N 2 1 302.462 3.278 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC001222264925 1095520379 /nfs/dbraw/zinc/52/03/79/1095520379.db2.gz LIDWZPUOBOZEFJ-IBGZPJMESA-N 2 1 302.462 3.359 20 0 DGADMP CCCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265780 1095521076 /nfs/dbraw/zinc/52/10/76/1095521076.db2.gz YNMLPXSWLPMTNO-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265780 1095521086 /nfs/dbraw/zinc/52/10/86/1095521086.db2.gz YNMLPXSWLPMTNO-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c21 ZINC001222272613 1095522626 /nfs/dbraw/zinc/52/26/26/1095522626.db2.gz XDCNDKDEUHGSQD-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP CCc1cc(C[N@H+](CC)C2CCN(C)CC2)cc(CC)c1O ZINC001144147542 1095536945 /nfs/dbraw/zinc/53/69/45/1095536945.db2.gz DMSKGDJTUAETJC-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@]13CCC[NH2+]CC3)CCCO2 ZINC001222314046 1095545088 /nfs/dbraw/zinc/54/50/88/1095545088.db2.gz AYVVXZVPRROHHR-IBGZPJMESA-N 2 1 300.446 3.120 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222320702 1095550050 /nfs/dbraw/zinc/55/00/50/1095550050.db2.gz LCMPVAJDEDPFIH-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222321316 1095551102 /nfs/dbraw/zinc/55/11/02/1095551102.db2.gz SPMJGQVERHHPRB-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(F)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001222457289 1095623507 /nfs/dbraw/zinc/62/35/07/1095623507.db2.gz HDZCJGNOIIRIAQ-UHFFFAOYSA-N 2 1 324.415 3.329 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001171170135 1095629896 /nfs/dbraw/zinc/62/98/96/1095629896.db2.gz NHAGAAYYSSFXLD-UFYCRDLUSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001171170135 1095629900 /nfs/dbraw/zinc/62/99/00/1095629900.db2.gz NHAGAAYYSSFXLD-UFYCRDLUSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001171170135 1095629907 /nfs/dbraw/zinc/62/99/07/1095629907.db2.gz NHAGAAYYSSFXLD-UFYCRDLUSA-N 2 1 318.505 3.346 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001116773324 1095654068 /nfs/dbraw/zinc/65/40/68/1095654068.db2.gz KKTBJBJHOSNEAU-QZTJIDSGSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001116773324 1095654071 /nfs/dbraw/zinc/65/40/71/1095654071.db2.gz KKTBJBJHOSNEAU-QZTJIDSGSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222596042 1095682655 /nfs/dbraw/zinc/68/26/55/1095682655.db2.gz OZLFTTHYSNKQKW-FQEVSTJZSA-N 2 1 306.453 3.492 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@@H+]1C ZINC001116863011 1095683903 /nfs/dbraw/zinc/68/39/03/1095683903.db2.gz NAXXBKPBXMCTIE-DNVCBOLYSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@H+]1C ZINC001116863011 1095683907 /nfs/dbraw/zinc/68/39/07/1095683907.db2.gz NAXXBKPBXMCTIE-DNVCBOLYSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863011 1095683913 /nfs/dbraw/zinc/68/39/13/1095683913.db2.gz NAXXBKPBXMCTIE-DNVCBOLYSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863011 1095683919 /nfs/dbraw/zinc/68/39/19/1095683919.db2.gz NAXXBKPBXMCTIE-DNVCBOLYSA-N 2 1 312.461 3.002 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602406 1095687959 /nfs/dbraw/zinc/68/79/59/1095687959.db2.gz POLAZMNDIUFVOS-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602406 1095687963 /nfs/dbraw/zinc/68/79/63/1095687963.db2.gz POLAZMNDIUFVOS-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001222619888 1095696296 /nfs/dbraw/zinc/69/62/96/1095696296.db2.gz AMLZEBVRDPBOSG-LEWJYISDSA-N 2 1 306.453 3.461 20 0 DGADMP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c21 ZINC001222623157 1095697545 /nfs/dbraw/zinc/69/75/45/1095697545.db2.gz CZXOYVTZFKMUDL-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1CC ZINC001222623935 1095699049 /nfs/dbraw/zinc/69/90/49/1095699049.db2.gz PWQQXFGGBOSTSZ-HDICACEKSA-N 2 1 302.462 3.079 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1Cl ZINC001222629452 1095700721 /nfs/dbraw/zinc/70/07/21/1095700721.db2.gz HOSWRHDUDLEAGY-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP CC(C)Oc1cc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC001222634496 1095702249 /nfs/dbraw/zinc/70/22/49/1095702249.db2.gz DIMQYBIATKPANH-OKILXGFUSA-N 2 1 324.415 3.183 20 0 DGADMP c1[nH+]c(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)c2ccccn12 ZINC001144618165 1095738068 /nfs/dbraw/zinc/73/80/68/1095738068.db2.gz IOKCKXPNROULLN-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP c1[nH+]c(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c2ccccn12 ZINC001144618165 1095738081 /nfs/dbraw/zinc/73/80/81/1095738081.db2.gz IOKCKXPNROULLN-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP C[N@@H+](Cc1c(F)ccc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC001137881268 1095778139 /nfs/dbraw/zinc/77/81/39/1095778139.db2.gz KJAQLTCJBJTFCZ-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[N@H+](Cc1c(F)ccc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC001137881268 1095778149 /nfs/dbraw/zinc/77/81/49/1095778149.db2.gz KJAQLTCJBJTFCZ-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001137993002 1095819189 /nfs/dbraw/zinc/81/91/89/1095819189.db2.gz YEYOMFXJDPSCHB-CYBMUJFWSA-N 2 1 315.461 3.270 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@@H]2C1 ZINC001138062416 1095859372 /nfs/dbraw/zinc/85/93/72/1095859372.db2.gz LOIUBCRQHSWZED-CALCHBBNSA-N 2 1 310.441 3.319 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c4ccccc34)C[C@@H]2C1 ZINC001138062416 1095859394 /nfs/dbraw/zinc/85/93/94/1095859394.db2.gz LOIUBCRQHSWZED-CALCHBBNSA-N 2 1 310.441 3.319 20 0 DGADMP Nc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276862141 1095859559 /nfs/dbraw/zinc/85/95/59/1095859559.db2.gz VXCIBPOALAUUJE-UHFFFAOYSA-N 2 1 324.472 3.085 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232783 1095869212 /nfs/dbraw/zinc/86/92/12/1095869212.db2.gz XYECKJHPABNFDB-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232783 1095869234 /nfs/dbraw/zinc/86/92/34/1095869234.db2.gz XYECKJHPABNFDB-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232783 1095869247 /nfs/dbraw/zinc/86/92/47/1095869247.db2.gz XYECKJHPABNFDB-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001171232783 1095869265 /nfs/dbraw/zinc/86/92/65/1095869265.db2.gz XYECKJHPABNFDB-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP CCOc1ncc(Cl)cc1CN1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276872683 1095906007 /nfs/dbraw/zinc/90/60/07/1095906007.db2.gz LWCMJFMQLORDJW-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276872683 1095906020 /nfs/dbraw/zinc/90/60/20/1095906020.db2.gz LWCMJFMQLORDJW-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276872683 1095906033 /nfs/dbraw/zinc/90/60/33/1095906033.db2.gz LWCMJFMQLORDJW-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CC(C)n1ncc2c1[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC001118034051 1095925548 /nfs/dbraw/zinc/92/55/48/1095925548.db2.gz VMVFWBJEXVIGLU-YESZJQIVSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC001118034051 1095925558 /nfs/dbraw/zinc/92/55/58/1095925558.db2.gz VMVFWBJEXVIGLU-YESZJQIVSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC001118034051 1095925567 /nfs/dbraw/zinc/92/55/67/1095925567.db2.gz VMVFWBJEXVIGLU-YESZJQIVSA-N 2 1 302.466 3.058 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccnc3Cl)C[C@H]2CC1 ZINC001276881676 1095937971 /nfs/dbraw/zinc/93/79/71/1095937971.db2.gz BEDGRJKGDHINPF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccnc3Cl)C[C@H]2CC1 ZINC001276881676 1095937978 /nfs/dbraw/zinc/93/79/78/1095937978.db2.gz BEDGRJKGDHINPF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccnc3Cl)C[C@H]2CC1 ZINC001276881676 1095937989 /nfs/dbraw/zinc/93/79/89/1095937989.db2.gz BEDGRJKGDHINPF-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP Cc1cc(CO[C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)cc(C)n1 ZINC001223423328 1095964948 /nfs/dbraw/zinc/96/49/48/1095964948.db2.gz BSBZBSFDVGGCGP-FUHWJXTLSA-N 2 1 311.429 3.446 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC001118241735 1095966000 /nfs/dbraw/zinc/96/60/00/1095966000.db2.gz MBQAXOUYXPKWSE-UHFFFAOYSA-N 2 1 318.852 3.432 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515678 1095967634 /nfs/dbraw/zinc/96/76/34/1095967634.db2.gz OSCYAYVUINZVNK-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515678 1095967640 /nfs/dbraw/zinc/96/76/40/1095967640.db2.gz OSCYAYVUINZVNK-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC001340517725 1095968068 /nfs/dbraw/zinc/96/80/68/1095968068.db2.gz VZGJQFSEIVEGAB-CVEARBPZSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001340525804 1095969276 /nfs/dbraw/zinc/96/92/76/1095969276.db2.gz GBWLGMJNUZLBJT-MDNKFWRPSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001340525804 1095969284 /nfs/dbraw/zinc/96/92/84/1095969284.db2.gz GBWLGMJNUZLBJT-MDNKFWRPSA-N 2 1 315.505 3.112 20 0 DGADMP C[NH2+]C1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCC1 ZINC001340805540 1096038162 /nfs/dbraw/zinc/03/81/62/1096038162.db2.gz XXNLPBWFYWHNPS-HNNXBMFYSA-N 2 1 315.461 3.142 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001171288168 1096120438 /nfs/dbraw/zinc/12/04/38/1096120438.db2.gz JFHCZGHRZPUPJU-KBPBESRZSA-N 2 1 322.880 3.280 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC1CC[NH+](C)CC1 ZINC001224451562 1096216093 /nfs/dbraw/zinc/21/60/93/1096216093.db2.gz XYTQGQLJPQRYTE-FXAWDEMLSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001119517214 1096218748 /nfs/dbraw/zinc/21/87/48/1096218748.db2.gz PPSCKGSIIZZMJA-QGZVFWFLSA-N 2 1 315.461 3.094 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001119517214 1096218755 /nfs/dbraw/zinc/21/87/55/1096218755.db2.gz PPSCKGSIIZZMJA-QGZVFWFLSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1CC[NH3+] ZINC001119610689 1096232598 /nfs/dbraw/zinc/23/25/98/1096232598.db2.gz CUCNMTFBEJHNPF-TZMCWYRMSA-N 2 1 318.852 3.147 20 0 DGADMP Cc1cccc(N2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)[nH+]1 ZINC001276981323 1096240078 /nfs/dbraw/zinc/24/00/78/1096240078.db2.gz YFCSKCQPTBZPQQ-UHFFFAOYSA-N 2 1 313.367 3.245 20 0 DGADMP Cc1cccc(N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)[nH+]1 ZINC001276981323 1096240086 /nfs/dbraw/zinc/24/00/86/1096240086.db2.gz YFCSKCQPTBZPQQ-UHFFFAOYSA-N 2 1 313.367 3.245 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2[nH]c(C)nc2C)CC1)CC1CC1 ZINC001119692052 1096246700 /nfs/dbraw/zinc/24/67/00/1096246700.db2.gz BIDZLXSQJLJJGJ-UHFFFAOYSA-N 2 1 318.509 3.361 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224705975 1096267883 /nfs/dbraw/zinc/26/78/83/1096267883.db2.gz IBZMLDHFUYJZQU-SQNIBIBYSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224705975 1096267889 /nfs/dbraw/zinc/26/78/89/1096267889.db2.gz IBZMLDHFUYJZQU-SQNIBIBYSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224705975 1096267895 /nfs/dbraw/zinc/26/78/95/1096267895.db2.gz IBZMLDHFUYJZQU-SQNIBIBYSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224749680 1096277569 /nfs/dbraw/zinc/27/75/69/1096277569.db2.gz LUUUDHGOFPJJKF-MSOLQXFVSA-N 2 1 317.477 3.110 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCC[NH+]1CCCC1 ZINC001224748349 1096278067 /nfs/dbraw/zinc/27/80/67/1096278067.db2.gz OMBKOXAEDCQIEW-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC(OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224832616 1096296527 /nfs/dbraw/zinc/29/65/27/1096296527.db2.gz WJFUZTARPIRUSL-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](OCCC[NH+]3CCCCC3)C2)cc1 ZINC001224855100 1096300766 /nfs/dbraw/zinc/30/07/66/1096300766.db2.gz LYIALAHHIFXPOR-IBGZPJMESA-N 2 1 302.462 3.154 20 0 DGADMP Cc1ccc(N2CCC(OCCC[NH+]3CCCCC3)CC2)[nH+]c1 ZINC001224861226 1096303486 /nfs/dbraw/zinc/30/34/86/1096303486.db2.gz TZYDLGUHHFHARV-UHFFFAOYSA-N 2 1 317.477 3.251 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001171322438 1096312411 /nfs/dbraw/zinc/31/24/11/1096312411.db2.gz WKXXCSXMPZAUKL-GOSISDBHSA-N 2 1 321.428 3.036 20 0 DGADMP CCOC(=[NH2+])CCCCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001224960436 1096324441 /nfs/dbraw/zinc/32/44/41/1096324441.db2.gz CEGYWZDPBOXCOI-KRWDZBQOSA-N 2 1 304.434 3.462 20 0 DGADMP CCOC(=[NH2+])CCCCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224960436 1096324447 /nfs/dbraw/zinc/32/44/47/1096324447.db2.gz CEGYWZDPBOXCOI-KRWDZBQOSA-N 2 1 304.434 3.462 20 0 DGADMP CCOc1cc(OC)ccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277123155 1096675572 /nfs/dbraw/zinc/67/55/72/1096675572.db2.gz YMVVDZBAQWGCNX-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227081957 1096863098 /nfs/dbraw/zinc/86/30/98/1096863098.db2.gz BAIUUYWLLDRZKJ-KURKYZTESA-N 2 1 323.525 3.068 20 0 DGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227149665 1096880272 /nfs/dbraw/zinc/88/02/72/1096880272.db2.gz BGSBGRFKNHGWAS-PIIXRYACSA-N 2 1 323.525 3.090 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171454242 1096888165 /nfs/dbraw/zinc/88/81/65/1096888165.db2.gz RTADAQMHSXVGIJ-CJNGLKHVSA-N 2 1 308.416 3.144 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171459981 1096890744 /nfs/dbraw/zinc/89/07/44/1096890744.db2.gz SULWNDQVKGWXFG-HNNXBMFYSA-N 2 1 306.400 3.039 20 0 DGADMP COc1c(C)ccc(F)c1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277190528 1096900021 /nfs/dbraw/zinc/90/00/21/1096900021.db2.gz JUSQYZJFPCPHFD-UHFFFAOYSA-N 2 1 306.425 3.060 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171497565 1096901423 /nfs/dbraw/zinc/90/14/23/1096901423.db2.gz VRQYWSNJVAKWGW-IXDOHACOSA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171497565 1096901430 /nfs/dbraw/zinc/90/14/30/1096901430.db2.gz VRQYWSNJVAKWGW-IXDOHACOSA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171497565 1096901435 /nfs/dbraw/zinc/90/14/35/1096901435.db2.gz VRQYWSNJVAKWGW-IXDOHACOSA-N 2 1 320.427 3.096 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513701 1096915115 /nfs/dbraw/zinc/91/51/15/1096915115.db2.gz XOLVWIANWIFCTM-CHWSQXEVSA-N 2 1 312.379 3.035 20 0 DGADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH3+])(c3cccnc3)CC1)C2 ZINC001171559070 1096923523 /nfs/dbraw/zinc/92/35/23/1096923523.db2.gz UXSTWFBCILQTFS-LJQANCHMSA-N 2 1 321.468 3.197 20 0 DGADMP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH3+])(c3cccnc3)CC1)C2 ZINC001171559069 1096923531 /nfs/dbraw/zinc/92/35/31/1096923531.db2.gz UXSTWFBCILQTFS-IBGZPJMESA-N 2 1 321.468 3.197 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)n2c1 ZINC001171613178 1096934726 /nfs/dbraw/zinc/93/47/26/1096934726.db2.gz GYTKSCMKWVTBJZ-UHFFFAOYSA-N 2 1 314.477 3.384 20 0 DGADMP C[NH+]1C(C)(C)CC(N[C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1(C)C ZINC001171625959 1096938493 /nfs/dbraw/zinc/93/84/93/1096938493.db2.gz PZAMYCZYUJFASL-HNNXBMFYSA-N 2 1 309.542 3.348 20 0 DGADMP CCOC(=O)[C@]1(C)CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171643953 1096950231 /nfs/dbraw/zinc/95/02/31/1096950231.db2.gz YVICEJWUVKXDPU-LJQANCHMSA-N 2 1 324.509 3.303 20 0 DGADMP CCOC(=O)[C@@H]1CCCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171643853 1096950420 /nfs/dbraw/zinc/95/04/20/1096950420.db2.gz WXXYINJFCIZFKH-OAHLLOKOSA-N 2 1 324.509 3.303 20 0 DGADMP C[NH+]1C(C)(C)CC([NH+]2CC3(C2)CC(F)(F)CS3)CC1(C)C ZINC001171642730 1096950734 /nfs/dbraw/zinc/95/07/34/1096950734.db2.gz LXWNIZZEEXRUCE-UHFFFAOYSA-N 2 1 318.477 3.464 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171725608 1096954587 /nfs/dbraw/zinc/95/45/87/1096954587.db2.gz NKBUIVCJYAFJON-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171725608 1096954591 /nfs/dbraw/zinc/95/45/91/1096954591.db2.gz NKBUIVCJYAFJON-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725608 1096954594 /nfs/dbraw/zinc/95/45/94/1096954594.db2.gz NKBUIVCJYAFJON-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171725608 1096954599 /nfs/dbraw/zinc/95/45/99/1096954599.db2.gz NKBUIVCJYAFJON-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171725608 1096954605 /nfs/dbraw/zinc/95/46/05/1096954605.db2.gz NKBUIVCJYAFJON-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@H](n2nc(C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725867 1096955395 /nfs/dbraw/zinc/95/53/95/1096955395.db2.gz ONCSJPRSERNGSQ-RDJZCZTQSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@H]1C[C@@H](n2ncc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171730411 1096956899 /nfs/dbraw/zinc/95/68/99/1096956899.db2.gz YQKSVCFYTOHMNU-HNAYVOBHSA-N 2 1 320.440 3.331 20 0 DGADMP CC[NH+](CC)[C@@H]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171759666 1096964077 /nfs/dbraw/zinc/96/40/77/1096964077.db2.gz LNZPAXIGQDSFIV-SXLOBPIMSA-N 2 1 315.505 3.066 20 0 DGADMP CCCc1cc(C[NH3+])nn1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735977 1096971850 /nfs/dbraw/zinc/97/18/50/1096971850.db2.gz ZQRZWHYCTBXQSI-DNVCBOLYSA-N 2 1 312.461 3.130 20 0 DGADMP CCCc1cc(C[NH3+])nn1[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735978 1096971860 /nfs/dbraw/zinc/97/18/60/1096971860.db2.gz ZQRZWHYCTBXQSI-HNAYVOBHSA-N 2 1 312.461 3.130 20 0 DGADMP CC[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC001171875124 1096986799 /nfs/dbraw/zinc/98/67/99/1096986799.db2.gz CLQKFMNUZOIERA-UXHICEINSA-N 2 1 318.505 3.175 20 0 DGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001171860748 1096992993 /nfs/dbraw/zinc/99/29/93/1096992993.db2.gz JHQMRXQOXDMMEC-RDJZCZTQSA-N 2 1 323.525 3.066 20 0 DGADMP CCOC(=O)C1(C)CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001171956927 1097004818 /nfs/dbraw/zinc/00/48/18/1097004818.db2.gz VSWONZBDCPOMEZ-UHFFFAOYSA-N 2 1 322.493 3.057 20 0 DGADMP CC1(C)C[C@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171963993 1097006884 /nfs/dbraw/zinc/00/68/84/1097006884.db2.gz JOPRGCWZVXBYSP-GOSISDBHSA-N 2 1 316.489 3.324 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171935595 1097012047 /nfs/dbraw/zinc/01/20/47/1097012047.db2.gz DRVRRHKINNGCJF-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171933648 1097012245 /nfs/dbraw/zinc/01/22/45/1097012245.db2.gz ZJBYGSQWEOMCFJ-UHFFFAOYSA-N 2 1 312.498 3.161 20 0 DGADMP CCCN(CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969560 1097019044 /nfs/dbraw/zinc/01/90/44/1097019044.db2.gz VDWITLPQKKMTEU-LJQANCHMSA-N 2 1 317.521 3.490 20 0 DGADMP CC1(C)C[C@@H](Nc2cccnc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171977134 1097025628 /nfs/dbraw/zinc/02/56/28/1097025628.db2.gz XNUNZEYWWOCJRE-KRWDZBQOSA-N 2 1 324.472 3.395 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC001171980045 1097027328 /nfs/dbraw/zinc/02/73/28/1097027328.db2.gz RZHWAJVYTYUGGF-FHWLQOOXSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171983442 1097027563 /nfs/dbraw/zinc/02/75/63/1097027563.db2.gz XFDYJWIXJXDLCE-KRWDZBQOSA-N 2 1 304.503 3.478 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001171983442 1097027570 /nfs/dbraw/zinc/02/75/70/1097027570.db2.gz XFDYJWIXJXDLCE-KRWDZBQOSA-N 2 1 304.503 3.478 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171986130 1097029706 /nfs/dbraw/zinc/02/97/06/1097029706.db2.gz FKFGBCVCPSQNFO-AZUAARDMSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171986130 1097029709 /nfs/dbraw/zinc/02/97/09/1097029709.db2.gz FKFGBCVCPSQNFO-AZUAARDMSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986130 1097029714 /nfs/dbraw/zinc/02/97/14/1097029714.db2.gz FKFGBCVCPSQNFO-AZUAARDMSA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986130 1097029719 /nfs/dbraw/zinc/02/97/19/1097029719.db2.gz FKFGBCVCPSQNFO-AZUAARDMSA-N 2 1 314.473 3.294 20 0 DGADMP C[N@H+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074090 1097038596 /nfs/dbraw/zinc/03/85/96/1097038596.db2.gz FOHRFXTTXZAFPD-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074090 1097038599 /nfs/dbraw/zinc/03/85/99/1097038599.db2.gz FOHRFXTTXZAFPD-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074090 1097038603 /nfs/dbraw/zinc/03/86/03/1097038603.db2.gz FOHRFXTTXZAFPD-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074090 1097038608 /nfs/dbraw/zinc/03/86/08/1097038608.db2.gz FOHRFXTTXZAFPD-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP CCOc1cccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101681 1097041300 /nfs/dbraw/zinc/04/13/00/1097041300.db2.gz HVRJAEDNJNUNED-BCDXTJNWSA-N 2 1 302.462 3.233 20 0 DGADMP O[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063856 1097042049 /nfs/dbraw/zinc/04/20/49/1097042049.db2.gz DEPUNUQBXRSUOO-OBKDMQGPSA-N 2 1 314.473 3.075 20 0 DGADMP COC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064081 1097043904 /nfs/dbraw/zinc/04/39/04/1097043904.db2.gz FKWMTGKMUFQFAC-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCO2)C3)cc1 ZINC001172064923 1097044573 /nfs/dbraw/zinc/04/45/73/1097044573.db2.gz IUTOGTFESWHFDA-IYWMVGAKSA-N 2 1 314.473 3.341 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066335 1097044652 /nfs/dbraw/zinc/04/46/52/1097044652.db2.gz VQFOACJSPRSZEG-CCQCEHTISA-N 2 1 314.473 3.339 20 0 DGADMP CO[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068835 1097046906 /nfs/dbraw/zinc/04/69/06/1097046906.db2.gz LHKQJXAPRBYDME-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068835 1097046911 /nfs/dbraw/zinc/04/69/11/1097046911.db2.gz LHKQJXAPRBYDME-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068835 1097046915 /nfs/dbraw/zinc/04/69/15/1097046915.db2.gz LHKQJXAPRBYDME-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068835 1097046919 /nfs/dbraw/zinc/04/69/19/1097046919.db2.gz LHKQJXAPRBYDME-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172127994 1097047324 /nfs/dbraw/zinc/04/73/24/1097047324.db2.gz NEPAXNQLIZVMGQ-BWTSREIZSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[N@H+](CCc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127994 1097047330 /nfs/dbraw/zinc/04/73/30/1097047330.db2.gz NEPAXNQLIZVMGQ-BWTSREIZSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127994 1097047337 /nfs/dbraw/zinc/04/73/37/1097047337.db2.gz NEPAXNQLIZVMGQ-BWTSREIZSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+](CCc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127994 1097047344 /nfs/dbraw/zinc/04/73/44/1097047344.db2.gz NEPAXNQLIZVMGQ-BWTSREIZSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+](CCc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127994 1097047350 /nfs/dbraw/zinc/04/73/50/1097047350.db2.gz NEPAXNQLIZVMGQ-BWTSREIZSA-N 2 1 301.478 3.351 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126664 1097048298 /nfs/dbraw/zinc/04/82/98/1097048298.db2.gz XWZFDIMKHOFSSD-HZMVEIRTSA-N 2 1 322.493 3.198 20 0 DGADMP CCCC[NH+]1CCC(N(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172129548 1097049330 /nfs/dbraw/zinc/04/93/30/1097049330.db2.gz CJPUKWSOLNLURI-REPLKXPHSA-N 3 1 307.526 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3c3c1C[C@@H]([NH3+])C3)C2 ZINC001172104347 1097053023 /nfs/dbraw/zinc/05/30/23/1097053023.db2.gz BRELAMMRBVETRL-JONQDZQNSA-N 2 1 309.457 3.255 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108919 1097054516 /nfs/dbraw/zinc/05/45/16/1097054516.db2.gz AGLVKBZKULKARP-ZJPYXAASSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108919 1097054521 /nfs/dbraw/zinc/05/45/21/1097054521.db2.gz AGLVKBZKULKARP-ZJPYXAASSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)C2 ZINC001172109655 1097056181 /nfs/dbraw/zinc/05/61/81/1097056181.db2.gz IQKZTEXLJRLLPV-OWLYRPNTSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CSc3ccccc3C1)C2 ZINC001172111194 1097057692 /nfs/dbraw/zinc/05/76/92/1097057692.db2.gz TYLXKIHECZSXEP-VQHPVUNQSA-N 2 1 302.487 3.308 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CSc3ccccc3C1)C2 ZINC001172111194 1097057698 /nfs/dbraw/zinc/05/76/98/1097057698.db2.gz TYLXKIHECZSXEP-VQHPVUNQSA-N 2 1 302.487 3.308 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1([C@@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112888 1097059098 /nfs/dbraw/zinc/05/90/98/1097059098.db2.gz GMGGJONRODXFQV-WCXIOVBPSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1([C@@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112888 1097059102 /nfs/dbraw/zinc/05/91/02/1097059102.db2.gz GMGGJONRODXFQV-WCXIOVBPSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1cc3ccccc3o1)C2 ZINC001172112005 1097059473 /nfs/dbraw/zinc/05/94/73/1097059473.db2.gz YZQQBTQNXFBESD-YVSFHVDLSA-N 2 1 314.429 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206157342 1097060740 /nfs/dbraw/zinc/06/07/40/1097060740.db2.gz YBUVAEWNUOFFDW-GJZGRUSLSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206157342 1097060747 /nfs/dbraw/zinc/06/07/47/1097060747.db2.gz YBUVAEWNUOFFDW-GJZGRUSLSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206157355 1097060889 /nfs/dbraw/zinc/06/08/89/1097060889.db2.gz YCMAYELUAMDWRL-LSDHHAIUSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206157355 1097060895 /nfs/dbraw/zinc/06/08/95/1097060895.db2.gz YCMAYELUAMDWRL-LSDHHAIUSA-N 2 1 318.358 3.399 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172122306 1097063032 /nfs/dbraw/zinc/06/30/32/1097063032.db2.gz ZKOZODIQLAQWCZ-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172122306 1097063037 /nfs/dbraw/zinc/06/30/37/1097063037.db2.gz ZKOZODIQLAQWCZ-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172122306 1097063043 /nfs/dbraw/zinc/06/30/43/1097063043.db2.gz ZKOZODIQLAQWCZ-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118187 1097063869 /nfs/dbraw/zinc/06/38/69/1097063869.db2.gz PEIUDAQJUYJPIB-FFGOWVMKSA-N 2 1 315.505 3.099 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc(C(F)(F)F)c1)C2 ZINC001172119360 1097063908 /nfs/dbraw/zinc/06/39/08/1097063908.db2.gz YTDNVCCRPBKOAH-QDMKHBRRSA-N 2 1 313.367 3.205 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121986 1097064689 /nfs/dbraw/zinc/06/46/89/1097064689.db2.gz OJUOJTCMMCDCIH-FCGDIQPGSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121986 1097064695 /nfs/dbraw/zinc/06/46/95/1097064695.db2.gz OJUOJTCMMCDCIH-FCGDIQPGSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121986 1097064699 /nfs/dbraw/zinc/06/46/99/1097064699.db2.gz OJUOJTCMMCDCIH-FCGDIQPGSA-N 2 1 314.473 3.463 20 0 DGADMP COc1ccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120971 1097064784 /nfs/dbraw/zinc/06/47/84/1097064784.db2.gz AWGCWDGENYKAGU-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120971 1097064788 /nfs/dbraw/zinc/06/47/88/1097064788.db2.gz AWGCWDGENYKAGU-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172120971 1097064793 /nfs/dbraw/zinc/06/47/93/1097064793.db2.gz AWGCWDGENYKAGU-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172120971 1097064795 /nfs/dbraw/zinc/06/47/95/1097064795.db2.gz AWGCWDGENYKAGU-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC001172218382 1097079327 /nfs/dbraw/zinc/07/93/27/1097079327.db2.gz SNXDUUSJNMOVLF-UMQXSMKFSA-N 2 1 314.473 3.198 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172236523 1097088583 /nfs/dbraw/zinc/08/85/83/1097088583.db2.gz VLHIBUYYPKLULY-GSWHEVMTSA-N 2 1 304.478 3.235 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CC[C@@H](C)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001172373076 1097110964 /nfs/dbraw/zinc/11/09/64/1097110964.db2.gz KPNHMRXAXHZEIR-PMPSAXMXSA-N 2 1 318.509 3.366 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1 ZINC001172415454 1097134047 /nfs/dbraw/zinc/13/40/47/1097134047.db2.gz ZNQWRURICTXQRD-CQSZACIVSA-N 2 1 310.869 3.405 20 0 DGADMP CCOCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172415575 1097134483 /nfs/dbraw/zinc/13/44/83/1097134483.db2.gz XKMLSVIMJDYGTF-QGZVFWFLSA-N 2 1 304.478 3.098 20 0 DGADMP CCOCC[C@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172419626 1097135097 /nfs/dbraw/zinc/13/50/97/1097135097.db2.gz IPYAMMPBDVNDDL-KRWDZBQOSA-N 2 1 304.478 3.446 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172433492 1097140131 /nfs/dbraw/zinc/14/01/31/1097140131.db2.gz QKEXBQMFXRULNE-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172433492 1097140133 /nfs/dbraw/zinc/14/01/33/1097140133.db2.gz QKEXBQMFXRULNE-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172433492 1097140136 /nfs/dbraw/zinc/14/01/36/1097140136.db2.gz QKEXBQMFXRULNE-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC2)CC1 ZINC001172585784 1097198039 /nfs/dbraw/zinc/19/80/39/1097198039.db2.gz FZGZARGRMYWVJA-TWGIBVSRSA-N 2 1 324.509 3.099 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172628572 1097199837 /nfs/dbraw/zinc/19/98/37/1097199837.db2.gz KLOCFHFTJJIBCP-VSZNYVQBSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172628572 1097199839 /nfs/dbraw/zinc/19/98/39/1097199839.db2.gz KLOCFHFTJJIBCP-VSZNYVQBSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172628572 1097199842 /nfs/dbraw/zinc/19/98/42/1097199842.db2.gz KLOCFHFTJJIBCP-VSZNYVQBSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172628574 1097199876 /nfs/dbraw/zinc/19/98/76/1097199876.db2.gz KLOCFHFTJJIBCP-XDNAFOTISA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172628574 1097199877 /nfs/dbraw/zinc/19/98/77/1097199877.db2.gz KLOCFHFTJJIBCP-XDNAFOTISA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172628574 1097199879 /nfs/dbraw/zinc/19/98/79/1097199879.db2.gz KLOCFHFTJJIBCP-XDNAFOTISA-N 2 1 322.493 3.057 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172745756 1097223977 /nfs/dbraw/zinc/22/39/77/1097223977.db2.gz KNDIKRRKBDPVLR-JKSUJKDBSA-N 2 1 310.482 3.103 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172745756 1097223982 /nfs/dbraw/zinc/22/39/82/1097223982.db2.gz KNDIKRRKBDPVLR-JKSUJKDBSA-N 2 1 310.482 3.103 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206175719 1097237033 /nfs/dbraw/zinc/23/70/33/1097237033.db2.gz XHBJBZOVKPUTGD-LSDHHAIUSA-N 2 1 319.449 3.380 20 0 DGADMP CO[C@H]1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172938279 1097286834 /nfs/dbraw/zinc/28/68/34/1097286834.db2.gz NTFPKRBYUUZBHB-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229301946 1097291996 /nfs/dbraw/zinc/29/19/96/1097291996.db2.gz DTLLJNBBIBPYNJ-GOSISDBHSA-N 2 1 318.461 3.073 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001173113481 1097332497 /nfs/dbraw/zinc/33/24/97/1097332497.db2.gz QKNKFGXJPYFQJJ-LMDPOFIKSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001173174517 1097355775 /nfs/dbraw/zinc/35/57/75/1097355775.db2.gz WWUIUCNDVJKGHD-MTFMMBMASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001173174517 1097355780 /nfs/dbraw/zinc/35/57/80/1097355780.db2.gz WWUIUCNDVJKGHD-MTFMMBMASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001173174517 1097355784 /nfs/dbraw/zinc/35/57/84/1097355784.db2.gz WWUIUCNDVJKGHD-MTFMMBMASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202247 1097361353 /nfs/dbraw/zinc/36/13/53/1097361353.db2.gz PBIAGGSBDQYXGH-GSHBMFQSSA-N 2 1 302.462 3.306 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202247 1097361358 /nfs/dbraw/zinc/36/13/58/1097361358.db2.gz PBIAGGSBDQYXGH-GSHBMFQSSA-N 2 1 302.462 3.306 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170553 1097365100 /nfs/dbraw/zinc/36/51/00/1097365100.db2.gz NTITXENNBBBJEE-QXAKKESOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170553 1097365104 /nfs/dbraw/zinc/36/51/04/1097365104.db2.gz NTITXENNBBBJEE-QXAKKESOSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001173268631 1097390398 /nfs/dbraw/zinc/39/03/98/1097390398.db2.gz ZINBLTPNHXQWOL-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CCSC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173303430 1097404558 /nfs/dbraw/zinc/40/45/58/1097404558.db2.gz HXYBMURGDKULIT-HUUCEWRRSA-N 2 1 314.539 3.140 20 0 DGADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001173278041 1097409535 /nfs/dbraw/zinc/40/95/35/1097409535.db2.gz LOUNONMPTUDKIB-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278041 1097409537 /nfs/dbraw/zinc/40/95/37/1097409537.db2.gz LOUNONMPTUDKIB-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278041 1097409540 /nfs/dbraw/zinc/40/95/40/1097409540.db2.gz LOUNONMPTUDKIB-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H](N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)C1 ZINC001173283472 1097412999 /nfs/dbraw/zinc/41/29/99/1097412999.db2.gz LTKVCXJPMYPTEP-RDJZCZTQSA-N 2 1 302.466 3.231 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001173440064 1097439097 /nfs/dbraw/zinc/43/90/97/1097439097.db2.gz CSQGHAGCADDNFR-DLBZAZTESA-N 2 1 320.477 3.205 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)[C@@H](C)C1 ZINC001173479663 1097446903 /nfs/dbraw/zinc/44/69/03/1097446903.db2.gz KPWSBUQEIOSUPK-SGTLLEGYSA-N 2 1 308.416 3.140 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173710317 1097499716 /nfs/dbraw/zinc/49/97/16/1097499716.db2.gz WTWDUBJNKLCXJV-MRXNPFEDSA-N 2 1 320.477 3.116 20 0 DGADMP Nc1[nH]c2ccc(O[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001230509096 1097500530 /nfs/dbraw/zinc/50/05/30/1097500530.db2.gz ZXLGEBHQYUNMHB-INIZCTEOSA-N 2 1 322.412 3.189 20 0 DGADMP Nc1[nH]c2cc(O[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001230509096 1097500535 /nfs/dbraw/zinc/50/05/35/1097500535.db2.gz ZXLGEBHQYUNMHB-INIZCTEOSA-N 2 1 322.412 3.189 20 0 DGADMP Nc1[nH]c2cc(O[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001230509096 1097500542 /nfs/dbraw/zinc/50/05/42/1097500542.db2.gz ZXLGEBHQYUNMHB-INIZCTEOSA-N 2 1 322.412 3.189 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206213916 1097500748 /nfs/dbraw/zinc/50/07/48/1097500748.db2.gz WQEKUFUPWKFTMD-ZWKOTPCHSA-N 2 1 308.441 3.352 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206213916 1097500753 /nfs/dbraw/zinc/50/07/53/1097500753.db2.gz WQEKUFUPWKFTMD-ZWKOTPCHSA-N 2 1 308.441 3.352 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC001231684317 1097817253 /nfs/dbraw/zinc/81/72/53/1097817253.db2.gz CFANHMQSIRUYNU-UHFFFAOYSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805099 1097849893 /nfs/dbraw/zinc/84/98/93/1097849893.db2.gz KSRLQCKEPKOWPA-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805099 1097849902 /nfs/dbraw/zinc/84/99/02/1097849902.db2.gz KSRLQCKEPKOWPA-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805099 1097849909 /nfs/dbraw/zinc/84/99/09/1097849909.db2.gz KSRLQCKEPKOWPA-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805099 1097849921 /nfs/dbraw/zinc/84/99/21/1097849921.db2.gz KSRLQCKEPKOWPA-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP Fc1ccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232012252 1097916141 /nfs/dbraw/zinc/91/61/41/1097916141.db2.gz XALJTFVOEVOLSY-UHFFFAOYSA-N 2 1 310.376 3.024 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001232013640 1097916313 /nfs/dbraw/zinc/91/63/13/1097916313.db2.gz BNXAEDAANKRBCN-UHFFFAOYSA-N 2 1 320.440 3.271 20 0 DGADMP FC[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001232010778 1097916505 /nfs/dbraw/zinc/91/65/05/1097916505.db2.gz AJXXOMXXLWFKIM-ZYHUDNBSSA-N 2 1 301.287 3.143 20 0 DGADMP FC[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001232010778 1097916512 /nfs/dbraw/zinc/91/65/12/1097916512.db2.gz AJXXOMXXLWFKIM-ZYHUDNBSSA-N 2 1 301.287 3.143 20 0 DGADMP COc1cc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc(OC)c1 ZINC001232013664 1097916915 /nfs/dbraw/zinc/91/69/15/1097916915.db2.gz CDMYLFKJEZEGHF-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP C[N@H+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC001232011161 1097917011 /nfs/dbraw/zinc/91/70/11/1097917011.db2.gz HTMVSVXVKBWWRR-LJQANCHMSA-N 2 1 306.413 3.052 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001232014887 1097918263 /nfs/dbraw/zinc/91/82/63/1097918263.db2.gz WHLIGQTVSUJOMI-UHFFFAOYSA-N 2 1 318.424 3.023 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001232014887 1097918271 /nfs/dbraw/zinc/91/82/71/1097918271.db2.gz WHLIGQTVSUJOMI-UHFFFAOYSA-N 2 1 318.424 3.023 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+](C)CCC[NH+]3CCCC3)c21 ZINC001232035998 1097921929 /nfs/dbraw/zinc/92/19/29/1097921929.db2.gz VDUIKODHFYCLLB-UHFFFAOYSA-N 2 1 301.434 3.094 20 0 DGADMP COc1cccc2[nH]cc(C[N@@H+](C)CCC[NH+]3CCCC3)c21 ZINC001232035998 1097921931 /nfs/dbraw/zinc/92/19/31/1097921931.db2.gz VDUIKODHFYCLLB-UHFFFAOYSA-N 2 1 301.434 3.094 20 0 DGADMP c1c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]c2cccnc12 ZINC001232070817 1097930463 /nfs/dbraw/zinc/93/04/63/1097930463.db2.gz YGIWLOYKONWWIQ-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]c2cccnc12 ZINC001232070817 1097930468 /nfs/dbraw/zinc/93/04/68/1097930468.db2.gz YGIWLOYKONWWIQ-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP C[NH+]1CCC(N2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001277626900 1097960830 /nfs/dbraw/zinc/96/08/30/1097960830.db2.gz GUXNKJYCTMVOBS-UHFFFAOYSA-N 3 1 319.537 3.201 20 0 DGADMP C[NH+]1CCC([NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)CC1 ZINC001277626900 1097960837 /nfs/dbraw/zinc/96/08/37/1097960837.db2.gz GUXNKJYCTMVOBS-UHFFFAOYSA-N 2 1 319.537 3.201 20 0 DGADMP C[NH+]1CCC([NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001277626900 1097960839 /nfs/dbraw/zinc/96/08/39/1097960839.db2.gz GUXNKJYCTMVOBS-UHFFFAOYSA-N 2 1 319.537 3.201 20 0 DGADMP CN1CCC([NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)CC1 ZINC001277626900 1097960845 /nfs/dbraw/zinc/96/08/45/1097960845.db2.gz GUXNKJYCTMVOBS-UHFFFAOYSA-N 2 1 319.537 3.201 20 0 DGADMP CN1CCC([NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001277626900 1097960850 /nfs/dbraw/zinc/96/08/50/1097960850.db2.gz GUXNKJYCTMVOBS-UHFFFAOYSA-N 2 1 319.537 3.201 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cn3cc(F)ccc3n2)CC1 ZINC001232413572 1098031025 /nfs/dbraw/zinc/03/10/25/1098031025.db2.gz RWWGBCXFIYHLNZ-UHFFFAOYSA-N 2 1 318.440 3.026 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2CCO3)CC1 ZINC001233276317 1098271073 /nfs/dbraw/zinc/27/10/73/1098271073.db2.gz IGDZIWNVPGQQMX-UHFFFAOYSA-N 2 1 302.462 3.174 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001176280881 1098298796 /nfs/dbraw/zinc/29/87/96/1098298796.db2.gz GCIHUJHBIVCFMB-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001176280881 1098298802 /nfs/dbraw/zinc/29/88/02/1098298802.db2.gz GCIHUJHBIVCFMB-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(CC)CC ZINC001176286216 1098301203 /nfs/dbraw/zinc/30/12/03/1098301203.db2.gz UXZNWRWNTPUTNV-INIZCTEOSA-N 2 1 313.530 3.029 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4nc(Cl)ccc4c3)C2)C1 ZINC001233445818 1098336496 /nfs/dbraw/zinc/33/64/96/1098336496.db2.gz VWIUULPNTWZRAP-GOSISDBHSA-N 2 1 315.848 3.416 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4nc(Cl)ccc4c3)C2)C1 ZINC001233445818 1098336505 /nfs/dbraw/zinc/33/65/05/1098336505.db2.gz VWIUULPNTWZRAP-GOSISDBHSA-N 2 1 315.848 3.416 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4nc(Cl)ccc4c3)C2)C1 ZINC001233445818 1098336510 /nfs/dbraw/zinc/33/65/10/1098336510.db2.gz VWIUULPNTWZRAP-GOSISDBHSA-N 2 1 315.848 3.416 20 0 DGADMP C[NH+](C)CC[C@H](Oc1ccc2[nH+]ccn2c1)c1cccs1 ZINC001233748128 1098421123 /nfs/dbraw/zinc/42/11/23/1098421123.db2.gz GCYJRGGFAAQNCS-AWEZNQCLSA-N 2 1 301.415 3.468 20 0 DGADMP c1cn2cc(OC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001233749911 1098422001 /nfs/dbraw/zinc/42/20/01/1098422001.db2.gz XEVBHURUAKOUBU-UHFFFAOYSA-N 2 1 307.397 3.378 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176753699 1098434226 /nfs/dbraw/zinc/43/42/26/1098434226.db2.gz KVSVUINBZWOSQX-MRXNPFEDSA-N 2 1 313.530 3.027 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCOCC3)cc2)C1 ZINC001177256256 1098504076 /nfs/dbraw/zinc/50/40/76/1098504076.db2.gz CTLNTXGBODXARE-INIZCTEOSA-N 2 1 302.462 3.187 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001177318802 1098516092 /nfs/dbraw/zinc/51/60/92/1098516092.db2.gz CJJYWEWLQNGIQB-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001177318802 1098516095 /nfs/dbraw/zinc/51/60/95/1098516095.db2.gz CJJYWEWLQNGIQB-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001206304878 1098544243 /nfs/dbraw/zinc/54/42/43/1098544243.db2.gz QJQTWUIMPVCDDL-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC001177742529 1098598513 /nfs/dbraw/zinc/59/85/13/1098598513.db2.gz JDRMNHCXARBQTF-HOCLYGCPSA-N 2 1 323.506 3.205 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC001177742529 1098598517 /nfs/dbraw/zinc/59/85/17/1098598517.db2.gz JDRMNHCXARBQTF-HOCLYGCPSA-N 2 1 323.506 3.205 20 0 DGADMP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001277883338 1098655776 /nfs/dbraw/zinc/65/57/76/1098655776.db2.gz GADPNSKSLTWWKE-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045754 1098685136 /nfs/dbraw/zinc/68/51/36/1098685136.db2.gz UOFCMWDPPQZOOD-DUMMIQTOSA-N 2 1 323.525 3.093 20 0 DGADMP Cc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234978218 1098731585 /nfs/dbraw/zinc/73/15/85/1098731585.db2.gz HBLMWJFQIUFFRV-KDURUIRLSA-N 2 1 321.468 3.414 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n(Cc2ccccc2)c1 ZINC001234997740 1098741054 /nfs/dbraw/zinc/74/10/54/1098741054.db2.gz FUOVMCYTDWZVIA-FQEVSTJZSA-N 2 1 309.457 3.112 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n(Cc2ccccc2)c1 ZINC001234997740 1098741061 /nfs/dbraw/zinc/74/10/61/1098741061.db2.gz FUOVMCYTDWZVIA-FQEVSTJZSA-N 2 1 309.457 3.112 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)ncn3C)C1 ZINC001178248897 1098754816 /nfs/dbraw/zinc/75/48/16/1098754816.db2.gz GSKMMFOWSQWHGQ-QGZVFWFLSA-N 2 1 314.477 3.031 20 0 DGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023479 1098754821 /nfs/dbraw/zinc/75/48/21/1098754821.db2.gz BMNIRVYSHCFHQK-UHFFFAOYSA-N 2 1 310.441 3.422 20 0 DGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023479 1098754832 /nfs/dbraw/zinc/75/48/32/1098754832.db2.gz BMNIRVYSHCFHQK-UHFFFAOYSA-N 2 1 310.441 3.422 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235030924 1098760075 /nfs/dbraw/zinc/76/00/75/1098760075.db2.gz IMQMCMIJLAZXGR-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235030924 1098760082 /nfs/dbraw/zinc/76/00/82/1098760082.db2.gz IMQMCMIJLAZXGR-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C(C)C ZINC001235032329 1098761949 /nfs/dbraw/zinc/76/19/49/1098761949.db2.gz KBACYUSCNZABOG-LJQANCHMSA-N 2 1 302.462 3.312 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1)OCc1ccccc1 ZINC001235041883 1098770319 /nfs/dbraw/zinc/77/03/19/1098770319.db2.gz UOGJDPDYVLCWNG-PKOBYXMFSA-N 2 1 302.462 3.200 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)n1 ZINC001235047955 1098773602 /nfs/dbraw/zinc/77/36/02/1098773602.db2.gz XXAOORWGPUSHJX-LJQANCHMSA-N 2 1 317.477 3.367 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)n1 ZINC001235047955 1098773615 /nfs/dbraw/zinc/77/36/15/1098773615.db2.gz XXAOORWGPUSHJX-LJQANCHMSA-N 2 1 317.477 3.367 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048685 1098775093 /nfs/dbraw/zinc/77/50/93/1098775093.db2.gz ZOQUIQOQAUFYBJ-IBGZPJMESA-N 2 1 318.461 3.120 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048685 1098775106 /nfs/dbraw/zinc/77/51/06/1098775106.db2.gz ZOQUIQOQAUFYBJ-IBGZPJMESA-N 2 1 318.461 3.120 20 0 DGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235052396 1098775590 /nfs/dbraw/zinc/77/55/90/1098775590.db2.gz FBAGOGFXJGMIPT-UXHICEINSA-N 2 1 317.521 3.097 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc(C)c1F ZINC001235086186 1098790611 /nfs/dbraw/zinc/79/06/11/1098790611.db2.gz AKKNVEYWIODFRF-MRXNPFEDSA-N 2 1 312.379 3.263 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc(C)c1F ZINC001235086186 1098790620 /nfs/dbraw/zinc/79/06/20/1098790620.db2.gz AKKNVEYWIODFRF-MRXNPFEDSA-N 2 1 312.379 3.263 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2O1 ZINC001235091419 1098793654 /nfs/dbraw/zinc/79/36/54/1098793654.db2.gz BIHDYRWMJACLLS-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP Fc1cc(C(F)(F)F)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092497 1098794812 /nfs/dbraw/zinc/79/48/12/1098794812.db2.gz KEKFQLDTNVZWRI-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235094001 1098796081 /nfs/dbraw/zinc/79/60/81/1098796081.db2.gz VOVCBNPNAFLDPG-UHFFFAOYSA-N 2 1 312.379 3.323 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327402 1098822501 /nfs/dbraw/zinc/82/25/01/1098822501.db2.gz WBYCKZXVKQFILG-KRWDZBQOSA-N 2 1 312.404 3.314 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC23CC[NH2+]CC3)c(C)c1C ZINC001235139741 1098832806 /nfs/dbraw/zinc/83/28/06/1098832806.db2.gz CSUZETDAHBIOJN-UHFFFAOYSA-N 2 1 302.462 3.338 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC001235151954 1098837077 /nfs/dbraw/zinc/83/70/77/1098837077.db2.gz KIBZVVBWHOGVGS-SFHVURJKSA-N 2 1 318.461 3.058 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)cc2)c1 ZINC001235152261 1098837867 /nfs/dbraw/zinc/83/78/67/1098837867.db2.gz GFIGIERZYLSEIH-HXUWFJFHSA-N 2 1 324.472 3.226 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235153459 1098840130 /nfs/dbraw/zinc/84/01/30/1098840130.db2.gz KEXRJLJZUBIBCF-MRXNPFEDSA-N 2 1 312.379 3.458 20 0 DGADMP CSc1cc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cn1 ZINC001235156308 1098842114 /nfs/dbraw/zinc/84/21/14/1098842114.db2.gz FVZIYDNIAZOSQW-QGZVFWFLSA-N 2 1 319.518 3.466 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1C ZINC001235156311 1098842713 /nfs/dbraw/zinc/84/27/13/1098842713.db2.gz PJPMQIOGSGUVTH-GOSISDBHSA-N 2 1 302.462 3.358 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Cl)n1 ZINC001235154650 1098842765 /nfs/dbraw/zinc/84/27/65/1098842765.db2.gz JNDCHICMUODURB-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP c1cn(-c2cccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2)cn1 ZINC001235160593 1098847405 /nfs/dbraw/zinc/84/74/05/1098847405.db2.gz PUIATJXKDFCOOT-HXUWFJFHSA-N 2 1 324.472 3.226 20 0 DGADMP Oc1cc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235163072 1098849546 /nfs/dbraw/zinc/84/95/46/1098849546.db2.gz ZPDNFAOHCLDVLM-KRWDZBQOSA-N 2 1 310.388 3.025 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235175507 1098857206 /nfs/dbraw/zinc/85/72/06/1098857206.db2.gz WUXVHXKDIVOJSH-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1OC(C)C ZINC001235189835 1098867203 /nfs/dbraw/zinc/86/72/03/1098867203.db2.gz DDCPUPDLLURTGL-MSOLQXFVSA-N 2 1 302.462 3.132 20 0 DGADMP C[C@@H](C[N@H+]1CCCCC12CC[NH2+]CC2)OCc1ccccc1 ZINC001235191038 1098868440 /nfs/dbraw/zinc/86/84/40/1098868440.db2.gz OBWSRVWDYXIWPX-KRWDZBQOSA-N 2 1 302.462 3.200 20 0 DGADMP Clc1ccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001235192886 1098869688 /nfs/dbraw/zinc/86/96/88/1098869688.db2.gz GNXUFCBCYVILLC-ZIAGYGMSSA-N 2 1 313.272 3.467 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235197130 1098872340 /nfs/dbraw/zinc/87/23/40/1098872340.db2.gz BCFPRDBGEPULFQ-NHCUHLMSSA-N 2 1 306.453 3.319 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC001235210379 1098882481 /nfs/dbraw/zinc/88/24/81/1098882481.db2.gz ZNZMZMUHIOKNOM-OTWHNJEPSA-N 2 1 320.521 3.338 20 0 DGADMP CC1=CC[C@@H](CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C1(C)C ZINC001235225948 1098899698 /nfs/dbraw/zinc/89/96/98/1098899698.db2.gz WUJDRKMSZKEYFJ-DZKIICNBSA-N 2 1 316.411 3.453 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689267 1098909694 /nfs/dbraw/zinc/90/96/94/1098909694.db2.gz OUHZAQLIAXWOMN-BZSNNMDCSA-N 2 1 323.525 3.019 20 0 DGADMP COc1nc(Cl)ccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235238500 1098912017 /nfs/dbraw/zinc/91/20/17/1098912017.db2.gz OVPAYCMZUYYDOY-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP COC(C)(C)CC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249836 1098923225 /nfs/dbraw/zinc/92/32/25/1098923225.db2.gz YSUAKKOYRVKPBZ-IEBWSBKVSA-N 2 1 302.462 3.023 20 0 DGADMP COC(C)(C)CC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249836 1098923229 /nfs/dbraw/zinc/92/32/29/1098923229.db2.gz YSUAKKOYRVKPBZ-IEBWSBKVSA-N 2 1 302.462 3.023 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235254544 1098928007 /nfs/dbraw/zinc/92/80/07/1098928007.db2.gz JRGJZLXMMCOSHB-ZBFHGGJFSA-N 2 1 312.379 3.322 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262439 1098934039 /nfs/dbraw/zinc/93/40/39/1098934039.db2.gz RDNAUKVXTVEUKJ-SUMDDJOVSA-N 2 1 300.490 3.456 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3cccc(-c4ccc(F)cc4F)c3)C[C@@H]12 ZINC001235282649 1098942376 /nfs/dbraw/zinc/94/23/76/1098942376.db2.gz CMJVODJOGKZZBN-ALXJQNPVSA-N 2 1 300.352 3.021 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338765 1098962164 /nfs/dbraw/zinc/96/21/64/1098962164.db2.gz CGGJYHATYUFGRX-CYBMUJFWSA-N 2 1 308.853 3.169 20 0 DGADMP FC(F)(F)c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340025 1098965321 /nfs/dbraw/zinc/96/53/21/1098965321.db2.gz GOUOGWYHSAFHNM-SNVBAGLBSA-N 2 1 318.770 3.400 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235367290 1098984470 /nfs/dbraw/zinc/98/44/70/1098984470.db2.gz HGHZMFYKTFSUCA-FCGDIQPGSA-N 2 1 306.494 3.212 20 0 DGADMP c1ccc(OCC[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235378370 1098988441 /nfs/dbraw/zinc/98/84/41/1098988441.db2.gz GZUFBFMREJGYQB-RTWAWAEBSA-N 2 1 322.452 3.145 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1CC ZINC001235400063 1098995222 /nfs/dbraw/zinc/99/52/22/1098995222.db2.gz CFODDYBWUXICCE-OALUTQOASA-N 2 1 320.452 3.171 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1CC ZINC001235400063 1098995233 /nfs/dbraw/zinc/99/52/33/1098995233.db2.gz CFODDYBWUXICCE-OALUTQOASA-N 2 1 320.452 3.171 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCCCc1ccccc1)C2 ZINC001235403610 1098999662 /nfs/dbraw/zinc/99/96/62/1098999662.db2.gz LJFMTUANQMKCNK-RTBURBONSA-N 2 1 304.453 3.423 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1OC(C)C ZINC001235403759 1099003066 /nfs/dbraw/zinc/00/30/66/1099003066.db2.gz LJRIDHYUSIQGTQ-PKOBYXMFSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1OC(C)C ZINC001235403759 1099003077 /nfs/dbraw/zinc/00/30/77/1099003077.db2.gz LJRIDHYUSIQGTQ-PKOBYXMFSA-N 2 1 320.452 3.306 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc(CC)c1O ZINC001235408121 1099004792 /nfs/dbraw/zinc/00/47/92/1099004792.db2.gz UFMRMVZPFRELNK-IEBWSBKVSA-N 2 1 320.452 3.041 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc(CC)c1O ZINC001235408121 1099004805 /nfs/dbraw/zinc/00/48/05/1099004805.db2.gz UFMRMVZPFRELNK-IEBWSBKVSA-N 2 1 320.452 3.041 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235411318 1099007001 /nfs/dbraw/zinc/00/70/01/1099007001.db2.gz ZLJNJBHTLLQQJN-IRXDYDNUSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235411318 1099007016 /nfs/dbraw/zinc/00/70/16/1099007016.db2.gz ZLJNJBHTLLQQJN-IRXDYDNUSA-N 2 1 310.844 3.480 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235409996 1099008371 /nfs/dbraw/zinc/00/83/71/1099008371.db2.gz WVFJTTNOKVMBJI-OALUTQOASA-N 2 1 302.437 3.089 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC001179066369 1099009858 /nfs/dbraw/zinc/00/98/58/1099009858.db2.gz HOIPVYQBKZPBLB-WTQUMQLASA-N 2 1 324.896 3.426 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235422266 1099013533 /nfs/dbraw/zinc/01/35/33/1099013533.db2.gz AQMCJNOVXAZBEW-JKSUJKDBSA-N 2 1 308.416 3.219 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)OCc1ccccc1 ZINC001235424012 1099015368 /nfs/dbraw/zinc/01/53/68/1099015368.db2.gz IOJQCHYEEFQDQL-IHPCNDPISA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235423438 1099015934 /nfs/dbraw/zinc/01/59/34/1099015934.db2.gz GHYDXSLQUPVKTP-JKSUJKDBSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1cccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235423433 1099016765 /nfs/dbraw/zinc/01/67/65/1099016765.db2.gz GHYDXSLQUPVKTP-CVEARBPZSA-N 2 1 312.461 3.083 20 0 DGADMP CSc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC001235423851 1099017879 /nfs/dbraw/zinc/01/78/79/1099017879.db2.gz GITYEHRRIFQGOC-JKSUJKDBSA-N 2 1 319.518 3.324 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426663 1099019604 /nfs/dbraw/zinc/01/96/04/1099019604.db2.gz PNOOUWGHARTPKE-RBUKOAKNSA-N 2 1 316.489 3.339 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC001235427464 1099019747 /nfs/dbraw/zinc/01/97/47/1099019747.db2.gz NHSSSGSQNBXUKS-FUHWJXTLSA-N 2 1 317.477 3.000 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429161 1099021880 /nfs/dbraw/zinc/02/18/80/1099021880.db2.gz PRJBQPUHOMIDBW-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC001235428979 1099022093 /nfs/dbraw/zinc/02/20/93/1099022093.db2.gz WAOWZFSSEYXHAD-SJORKVTESA-N 2 1 311.473 3.390 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429160 1099023070 /nfs/dbraw/zinc/02/30/70/1099023070.db2.gz PRJBQPUHOMIDBW-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428330 1099023234 /nfs/dbraw/zinc/02/32/34/1099023234.db2.gz PLGOACSBFJVQAI-GJZGRUSLSA-N 2 1 307.869 3.255 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430457 1099024268 /nfs/dbraw/zinc/02/42/68/1099024268.db2.gz TUWNDNIUFGNDPH-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP CN(C)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235431179 1099024938 /nfs/dbraw/zinc/02/49/38/1099024938.db2.gz LUPOKZMNONNGNL-DLBZAZTESA-N 2 1 319.468 3.103 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431997 1099027791 /nfs/dbraw/zinc/02/77/91/1099027791.db2.gz QBURQPLYTIUOJA-HOTGVXAUSA-N 2 1 320.452 3.354 20 0 DGADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(OC(F)(F)F)c1 ZINC001235433838 1099030645 /nfs/dbraw/zinc/03/06/45/1099030645.db2.gz SQWHJIAKXFAVNK-UHFFFAOYSA-N 2 1 316.367 3.325 20 0 DGADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+](C)CCC[NH3+] ZINC001235435228 1099032450 /nfs/dbraw/zinc/03/24/50/1099032450.db2.gz DFBGLIGXXYOLRN-UHFFFAOYSA-N 2 1 308.429 3.090 20 0 DGADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+](C)CCC[NH3+] ZINC001235435228 1099032461 /nfs/dbraw/zinc/03/24/61/1099032461.db2.gz DFBGLIGXXYOLRN-UHFFFAOYSA-N 2 1 308.429 3.090 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC001235441617 1099036349 /nfs/dbraw/zinc/03/63/49/1099036349.db2.gz PWXBFBPYEMIFOL-PBHICJAKSA-N 2 1 308.416 3.357 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCCCO)C[C@H]21 ZINC001235561415 1099086971 /nfs/dbraw/zinc/08/69/71/1099086971.db2.gz UTAANRXESDUOTP-KBAYOESNSA-N 2 1 322.518 3.053 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCCCO)C[C@H]21 ZINC001235561415 1099086980 /nfs/dbraw/zinc/08/69/80/1099086980.db2.gz UTAANRXESDUOTP-KBAYOESNSA-N 2 1 322.518 3.053 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC3(CCN(C[C@H](C)[NH3+])CC3)C2)cc1 ZINC001235598210 1099098017 /nfs/dbraw/zinc/09/80/17/1099098017.db2.gz VHXKERMHMMJPQY-SFHVURJKSA-N 3 1 315.505 3.020 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001277957835 1099103066 /nfs/dbraw/zinc/10/30/66/1099103066.db2.gz FAHAPDQEMRUWBE-QZTJIDSGSA-N 2 1 310.526 3.372 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235673648 1099116555 /nfs/dbraw/zinc/11/65/55/1099116555.db2.gz DUQNRLGAZPMRBS-SFHVURJKSA-N 2 1 314.473 3.228 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235672444 1099116753 /nfs/dbraw/zinc/11/67/53/1099116753.db2.gz DXOYDBLGPXUTCQ-GFCCVEGCSA-N 2 1 302.340 3.064 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235687803 1099129271 /nfs/dbraw/zinc/12/92/71/1099129271.db2.gz IYANILVAOSUMEG-IRXDYDNUSA-N 2 1 318.461 3.071 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235687803 1099129274 /nfs/dbraw/zinc/12/92/74/1099129274.db2.gz IYANILVAOSUMEG-IRXDYDNUSA-N 2 1 318.461 3.071 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235692383 1099130304 /nfs/dbraw/zinc/13/03/04/1099130304.db2.gz NISAIWDQHNQMQO-LJQANCHMSA-N 2 1 314.473 3.310 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235691705 1099130784 /nfs/dbraw/zinc/13/07/84/1099130784.db2.gz MCTROZNVKHIBNA-OAQYLSRUSA-N 2 1 322.452 3.376 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235714069 1099140929 /nfs/dbraw/zinc/14/09/29/1099140929.db2.gz GOHPRANWNVLKCF-NRFANRHFSA-N 2 1 322.452 3.123 20 0 DGADMP CC[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001235759867 1099168957 /nfs/dbraw/zinc/16/89/57/1099168957.db2.gz CQEBDLUUZQDSDH-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CC[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001235759867 1099168962 /nfs/dbraw/zinc/16/89/62/1099168962.db2.gz CQEBDLUUZQDSDH-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CC[N@H+](Cc1cc(OC)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235764432 1099170670 /nfs/dbraw/zinc/17/06/70/1099170670.db2.gz CIIGYNRWGVSYAT-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CC[N@@H+](Cc1cc(OC)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235764432 1099170675 /nfs/dbraw/zinc/17/06/75/1099170675.db2.gz CIIGYNRWGVSYAT-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235790570 1099180027 /nfs/dbraw/zinc/18/00/27/1099180027.db2.gz PMGGTJLPXOQRQP-QGZVFWFLSA-N 2 1 321.896 3.018 20 0 DGADMP C[NH+]1CCC(C)(CN2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235790570 1099180031 /nfs/dbraw/zinc/18/00/31/1099180031.db2.gz PMGGTJLPXOQRQP-QGZVFWFLSA-N 2 1 321.896 3.018 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714442 1099182254 /nfs/dbraw/zinc/18/22/54/1099182254.db2.gz UVDRZEKKJHQEJV-UHFFFAOYSA-N 2 1 322.497 3.073 20 0 DGADMP COCCC[N@H+](Cc1ccc2cccccc1-2)[C@H]1CCC[NH2+]C1 ZINC001235809613 1099189292 /nfs/dbraw/zinc/18/92/92/1099189292.db2.gz KZPLPEPUPVVDCJ-IBGZPJMESA-N 2 1 312.457 3.382 20 0 DGADMP COCCC[N@@H+](Cc1ccc2cccccc1-2)[C@H]1CCC[NH2+]C1 ZINC001235809613 1099189297 /nfs/dbraw/zinc/18/92/97/1099189297.db2.gz KZPLPEPUPVVDCJ-IBGZPJMESA-N 2 1 312.457 3.382 20 0 DGADMP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842639 1099206816 /nfs/dbraw/zinc/20/68/16/1099206816.db2.gz QKTKQTGPVCOBEN-GFCCVEGCSA-N 2 1 304.381 3.340 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001235865373 1099227284 /nfs/dbraw/zinc/22/72/84/1099227284.db2.gz CSLAAJMUWRTASH-IEBWSBKVSA-N 2 1 313.489 3.251 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235930432 1099266489 /nfs/dbraw/zinc/26/64/89/1099266489.db2.gz WUBJUGGOGMLFMU-QWHCGFSZSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235930432 1099266500 /nfs/dbraw/zinc/26/65/00/1099266500.db2.gz WUBJUGGOGMLFMU-QWHCGFSZSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930430 1099266821 /nfs/dbraw/zinc/26/68/21/1099266821.db2.gz WUBJUGGOGMLFMU-OLZOCXBDSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930430 1099266828 /nfs/dbraw/zinc/26/68/28/1099266828.db2.gz WUBJUGGOGMLFMU-OLZOCXBDSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235930428 1099266933 /nfs/dbraw/zinc/26/69/33/1099266933.db2.gz WUBJUGGOGMLFMU-CHWSQXEVSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235930428 1099266936 /nfs/dbraw/zinc/26/69/36/1099266936.db2.gz WUBJUGGOGMLFMU-CHWSQXEVSA-N 2 1 316.392 3.340 20 0 DGADMP COCCC[N@@H+](Cc1ccc(C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235936290 1099270098 /nfs/dbraw/zinc/27/00/98/1099270098.db2.gz AQQFPCGNYCMWCH-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCCC[N@@H+](Cc1cc(C)cc(SC)c1)C1CC[NH2+]CC1 ZINC001235940797 1099275091 /nfs/dbraw/zinc/27/50/91/1099275091.db2.gz ZWQOTXWZHLCNPK-UHFFFAOYSA-N 2 1 322.518 3.307 20 0 DGADMP CC[N@@H+](CCCCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC001235948298 1099281360 /nfs/dbraw/zinc/28/13/60/1099281360.db2.gz NELFWZWOUWFUOQ-IBGZPJMESA-N 2 1 303.494 3.102 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950135 1099284114 /nfs/dbraw/zinc/28/41/14/1099284114.db2.gz RBSJANYPPUDBNB-XYPHTWIQSA-N 2 1 324.415 3.323 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950135 1099284121 /nfs/dbraw/zinc/28/41/21/1099284121.db2.gz RBSJANYPPUDBNB-XYPHTWIQSA-N 2 1 324.415 3.323 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951931 1099285633 /nfs/dbraw/zinc/28/56/33/1099285633.db2.gz WEPRNWRBPDNKJH-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235957808 1099289814 /nfs/dbraw/zinc/28/98/14/1099289814.db2.gz UPJTTWQIGLYBLB-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235960638 1099293539 /nfs/dbraw/zinc/29/35/39/1099293539.db2.gz VQHZRSMDXSJLHS-IBGZPJMESA-N 2 1 324.472 3.074 20 0 DGADMP CC(C)[N@H+](CC(=O)c1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235963955 1099295980 /nfs/dbraw/zinc/29/59/80/1099295980.db2.gz WRUQBXYSNWXWTO-UHFFFAOYSA-N 2 1 314.473 3.360 20 0 DGADMP C[C@]1(c2ccc(Cl)cc2)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC001235969163 1099297647 /nfs/dbraw/zinc/29/76/47/1099297647.db2.gz OWUWHAIOTMUZQC-CRAIPNDOSA-N 2 1 322.880 3.277 20 0 DGADMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1O ZINC001235978519 1099305904 /nfs/dbraw/zinc/30/59/04/1099305904.db2.gz ULIUIFUVAVLPNO-UHFFFAOYSA-N 2 1 322.452 3.338 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235981028 1099308083 /nfs/dbraw/zinc/30/80/83/1099308083.db2.gz OUGBFKUITHSINR-QUCCMNQESA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235981028 1099308091 /nfs/dbraw/zinc/30/80/91/1099308091.db2.gz OUGBFKUITHSINR-QUCCMNQESA-N 2 1 308.425 3.285 20 0 DGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC(CC)CC ZINC001180124650 1099323833 /nfs/dbraw/zinc/32/38/33/1099323833.db2.gz ZXLLZKYCWHBWAW-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP FC1(F)CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001236004050 1099326045 /nfs/dbraw/zinc/32/60/45/1099326045.db2.gz BIRWJKBVCGZQKB-MSOLQXFVSA-N 2 1 320.427 3.285 20 0 DGADMP c1c2ccccc2oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013139 1099336040 /nfs/dbraw/zinc/33/60/40/1099336040.db2.gz YGJODFBTKQLTPZ-NQIIRXRSSA-N 2 1 318.420 3.406 20 0 DGADMP c1c2ccccc2oc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013139 1099336048 /nfs/dbraw/zinc/33/60/48/1099336048.db2.gz YGJODFBTKQLTPZ-NQIIRXRSSA-N 2 1 318.420 3.406 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1C ZINC001236013089 1099336201 /nfs/dbraw/zinc/33/62/01/1099336201.db2.gz WAWWEWDVEBQLFB-RTWAWAEBSA-N 2 1 306.453 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044047 1099345287 /nfs/dbraw/zinc/34/52/87/1099345287.db2.gz ISXQLGJCKJCGPN-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044047 1099345299 /nfs/dbraw/zinc/34/52/99/1099345299.db2.gz ISXQLGJCKJCGPN-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2-c2ccccc2)C1 ZINC001236067402 1099365897 /nfs/dbraw/zinc/36/58/97/1099365897.db2.gz NMLPURNIJDLRRR-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)ccc1Cl ZINC001236077484 1099374891 /nfs/dbraw/zinc/37/48/91/1099374891.db2.gz IEJVFRVVGWQNHE-MRXNPFEDSA-N 2 1 321.896 3.071 20 0 DGADMP Clc1cccc(OC2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)n1 ZINC001236088704 1099379318 /nfs/dbraw/zinc/37/93/18/1099379318.db2.gz HPAAXRFDAPOZQH-CQSZACIVSA-N 2 1 323.868 3.110 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccc(Br)cc2)CCC[NH2+]1 ZINC001236096482 1099386751 /nfs/dbraw/zinc/38/67/51/1099386751.db2.gz CGZBXTWZLURSJY-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H](C)[NH3+])cc1 ZINC001236106184 1099394153 /nfs/dbraw/zinc/39/41/53/1099394153.db2.gz BJOQTNVVNBMCEM-SJORKVTESA-N 2 1 312.457 3.476 20 0 DGADMP C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@H+](C)CC1C[NH2+]C1 ZINC001236162212 1099438419 /nfs/dbraw/zinc/43/84/19/1099438419.db2.gz ZTTKBSUDNXZYQJ-OXJNMPFZSA-N 2 1 310.441 3.346 20 0 DGADMP C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)CC1C[NH2+]C1 ZINC001236162212 1099438425 /nfs/dbraw/zinc/43/84/25/1099438425.db2.gz ZTTKBSUDNXZYQJ-OXJNMPFZSA-N 2 1 310.441 3.346 20 0 DGADMP Clc1ccc([C@H]2COCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001236181265 1099450390 /nfs/dbraw/zinc/45/03/90/1099450390.db2.gz FXOJKCZXKDBFAJ-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccc([C@H]2COCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001236181265 1099450393 /nfs/dbraw/zinc/45/03/93/1099450393.db2.gz FXOJKCZXKDBFAJ-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccc([C@@H]2COCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001236181268 1099451572 /nfs/dbraw/zinc/45/15/72/1099451572.db2.gz FXOJKCZXKDBFAJ-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccc([C@@H]2COCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001236181268 1099451580 /nfs/dbraw/zinc/45/15/80/1099451580.db2.gz FXOJKCZXKDBFAJ-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP CCC[N@H+](Cc1cnc(OC(C)C)c(C)c1)C1CC[NH2+]CC1 ZINC001236185055 1099454504 /nfs/dbraw/zinc/45/45/04/1099454504.db2.gz UVHZGLWKOTZFFH-UHFFFAOYSA-N 2 1 305.466 3.141 20 0 DGADMP CCC[N@@H+](Cc1cnc(OC(C)C)c(C)c1)C1CC[NH2+]CC1 ZINC001236185055 1099454507 /nfs/dbraw/zinc/45/45/07/1099454507.db2.gz UVHZGLWKOTZFFH-UHFFFAOYSA-N 2 1 305.466 3.141 20 0 DGADMP C[N@H+](Cc1ccccc1-c1nccs1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206980 1099461831 /nfs/dbraw/zinc/46/18/31/1099461831.db2.gz MMYUYPAJCBLYKP-KRWDZBQOSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@@H+](Cc1ccccc1-c1nccs1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206980 1099461840 /nfs/dbraw/zinc/46/18/40/1099461840.db2.gz MMYUYPAJCBLYKP-KRWDZBQOSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216613 1099473593 /nfs/dbraw/zinc/47/35/93/1099473593.db2.gz KRZKYGZIEBEYNE-IRXDYDNUSA-N 2 1 302.462 3.492 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216613 1099473599 /nfs/dbraw/zinc/47/35/99/1099473599.db2.gz KRZKYGZIEBEYNE-IRXDYDNUSA-N 2 1 302.462 3.492 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236222271 1099479351 /nfs/dbraw/zinc/47/93/51/1099479351.db2.gz HIGFQZDVLZPCFA-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222504 1099479608 /nfs/dbraw/zinc/47/96/08/1099479608.db2.gz ISINWPFTEQVSPO-HAQNSBGRSA-N 2 1 320.330 3.426 20 0 DGADMP C[N@@H+](CCc1ccccc1C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236224810 1099482088 /nfs/dbraw/zinc/48/20/88/1099482088.db2.gz XBWCIBHIRNZDIL-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP N[C@H](C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1)c1ccccc1 ZINC001236227507 1099483589 /nfs/dbraw/zinc/48/35/89/1099483589.db2.gz FHQRBLLHXRZBQH-XVAXZDLZSA-N 2 1 323.484 3.459 20 0 DGADMP c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCSCC2)cc1 ZINC001236264984 1099507470 /nfs/dbraw/zinc/50/74/70/1099507470.db2.gz GJNBNALGUQTXTK-QGZVFWFLSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001236308476 1099527418 /nfs/dbraw/zinc/52/74/18/1099527418.db2.gz RJAXYYSVCQTVLJ-GUYCJALGSA-N 2 1 324.415 3.062 20 0 DGADMP Clc1ccccc1[C@@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236314237 1099528840 /nfs/dbraw/zinc/52/88/40/1099528840.db2.gz IXUMNVRRUAERAI-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236314237 1099528851 /nfs/dbraw/zinc/52/88/51/1099528851.db2.gz IXUMNVRRUAERAI-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315071 1099530889 /nfs/dbraw/zinc/53/08/89/1099530889.db2.gz VIMZLNSEVWPEHV-CALCHBBNSA-N 2 1 310.441 3.280 20 0 DGADMP Oc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236373950 1099560816 /nfs/dbraw/zinc/56/08/16/1099560816.db2.gz AEWWQYSDCDIIIH-AWEZNQCLSA-N 2 1 306.425 3.276 20 0 DGADMP c1nc2c(cccc2C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236376551 1099562649 /nfs/dbraw/zinc/56/26/49/1099562649.db2.gz SVNWQDKDUMHNAK-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2cccc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c2[nH]1 ZINC001236376551 1099562658 /nfs/dbraw/zinc/56/26/58/1099562658.db2.gz SVNWQDKDUMHNAK-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2cccc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c2[nH]1 ZINC001236376551 1099562669 /nfs/dbraw/zinc/56/26/69/1099562669.db2.gz SVNWQDKDUMHNAK-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc(OCC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375520 1099563377 /nfs/dbraw/zinc/56/33/77/1099563377.db2.gz ZOFGZQPAQNYHPU-KRWDZBQOSA-N 2 1 302.462 3.310 20 0 DGADMP Oc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc(F)c1F ZINC001236376875 1099564073 /nfs/dbraw/zinc/56/40/73/1099564073.db2.gz VGLWFIFMMMXMSN-ZDUSSCGKSA-N 2 1 324.415 3.415 20 0 DGADMP Oc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc(F)c1F ZINC001236376875 1099564086 /nfs/dbraw/zinc/56/40/86/1099564086.db2.gz VGLWFIFMMMXMSN-ZDUSSCGKSA-N 2 1 324.415 3.415 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236407287 1099578787 /nfs/dbraw/zinc/57/87/87/1099578787.db2.gz CQXQAGZMZDLVEK-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236407287 1099578802 /nfs/dbraw/zinc/57/88/02/1099578802.db2.gz CQXQAGZMZDLVEK-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236407154 1099579165 /nfs/dbraw/zinc/57/91/65/1099579165.db2.gz CEVKIPMZNKTOKW-GFCCVEGCSA-N 2 1 301.261 3.467 20 0 DGADMP CC[N@H+](Cc1ccc(OC)c(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408459 1099580622 /nfs/dbraw/zinc/58/06/22/1099580622.db2.gz MTCUKGVXRCVHEI-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C2=CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236412086 1099585205 /nfs/dbraw/zinc/58/52/05/1099585205.db2.gz SKCKUFPGOIQVET-INIZCTEOSA-N 2 1 300.446 3.174 20 0 DGADMP CC[N@H+](Cc1ccc(-c2ccc(O)cc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236412653 1099588299 /nfs/dbraw/zinc/58/82/99/1099588299.db2.gz XCSBXFSKGVZRBE-QGZVFWFLSA-N 2 1 310.441 3.491 20 0 DGADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC001236423347 1099597863 /nfs/dbraw/zinc/59/78/63/1099597863.db2.gz MOLCCJSOURXBOE-QGZVFWFLSA-N 2 1 302.462 3.360 20 0 DGADMP COc1ccc(F)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457981 1099619784 /nfs/dbraw/zinc/61/97/84/1099619784.db2.gz PAUUYFWMYXKSHG-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP COc1ccc(F)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457981 1099619789 /nfs/dbraw/zinc/61/97/89/1099619789.db2.gz PAUUYFWMYXKSHG-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CSCCC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481049 1099638585 /nfs/dbraw/zinc/63/85/85/1099638585.db2.gz NEYWRPDWTFBCEN-UHFFFAOYSA-N 2 1 310.482 3.441 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)nc1 ZINC001236535295 1099669920 /nfs/dbraw/zinc/66/99/20/1099669920.db2.gz UPCAADLXEPXUAW-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)nc1 ZINC001236535295 1099669926 /nfs/dbraw/zinc/66/99/26/1099669926.db2.gz UPCAADLXEPXUAW-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc(O)ccc2F)CC2CCC2)CC1 ZINC001236540742 1099672740 /nfs/dbraw/zinc/67/27/40/1099672740.db2.gz AHWSAPGQVSAMDW-WKILWMFISA-N 2 1 306.425 3.403 20 0 DGADMP COc1ccc(C)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236549942 1099675354 /nfs/dbraw/zinc/67/53/54/1099675354.db2.gz DUFSDFLDPOKRTJ-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP CC(C)C[N@H+](Cc1c(F)cc(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550336 1099675688 /nfs/dbraw/zinc/67/56/88/1099675688.db2.gz DGJZTLOCSIRQIN-JOCQHMNTSA-N 2 1 312.404 3.398 20 0 DGADMP CC(C)C[N@@H+](Cc1c(F)cc(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550336 1099675694 /nfs/dbraw/zinc/67/56/94/1099675694.db2.gz DGJZTLOCSIRQIN-JOCQHMNTSA-N 2 1 312.404 3.398 20 0 DGADMP CC(C)C[N@@H+](Cc1c(Cl)ccnc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551246 1099677359 /nfs/dbraw/zinc/67/73/59/1099677359.db2.gz PIIGVMWUVJBBFV-JOCQHMNTSA-N 2 1 310.873 3.045 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C2CCCC2)CC1 ZINC001236574261 1099684835 /nfs/dbraw/zinc/68/48/35/1099684835.db2.gz LVCNBTFJJOWDFH-KESTWPANSA-N 3 1 313.489 3.304 20 0 DGADMP Nc1c(F)cccc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236574916 1099684903 /nfs/dbraw/zinc/68/49/03/1099684903.db2.gz YALGGVRPTOBDIG-KOMQPUFPSA-N 2 1 305.441 3.422 20 0 DGADMP Fc1cccc2cc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)[nH]c21 ZINC001236599813 1099695308 /nfs/dbraw/zinc/69/53/08/1099695308.db2.gz DSXKUEIUBNPGQK-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP Fc1cccc2cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)[nH]c21 ZINC001236599813 1099695314 /nfs/dbraw/zinc/69/53/14/1099695314.db2.gz DSXKUEIUBNPGQK-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP CCc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(CC)c1O ZINC001236599812 1099695944 /nfs/dbraw/zinc/69/59/44/1099695944.db2.gz DSPHMFILZBPACU-OAHLLOKOSA-N 2 1 316.489 3.481 20 0 DGADMP CC(C)OC(=O)CN1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277988170 1099698836 /nfs/dbraw/zinc/69/88/36/1099698836.db2.gz YPOVBHKEVKDUCO-UHFFFAOYSA-N 2 1 322.493 3.059 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001236606397 1099700427 /nfs/dbraw/zinc/70/04/27/1099700427.db2.gz UKTNXEJSASANLB-MAUKXSAKSA-N 2 1 320.502 3.175 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2CC2(C)CC[NH2+]CC2)c1 ZINC001236605418 1099701076 /nfs/dbraw/zinc/70/10/76/1099701076.db2.gz NEUIPQJMIXZRME-KRWDZBQOSA-N 2 1 320.502 3.175 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2CC2(C)CC[NH2+]CC2)c1 ZINC001236605422 1099701110 /nfs/dbraw/zinc/70/11/10/1099701110.db2.gz NEUIPQJMIXZRME-QGZVFWFLSA-N 2 1 320.502 3.175 20 0 DGADMP COc1cc(Cl)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236637107 1099714679 /nfs/dbraw/zinc/71/46/79/1099714679.db2.gz MLSNYMDVFVUQEL-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CNCCO1 ZINC001236661753 1099730576 /nfs/dbraw/zinc/73/05/76/1099730576.db2.gz GEBRQCJIPQXHCE-OALUTQOASA-N 2 1 304.478 3.098 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001236676336 1099737484 /nfs/dbraw/zinc/73/74/84/1099737484.db2.gz SHMUFYPXSZVVID-MJGOQNOKSA-N 2 1 310.441 3.232 20 0 DGADMP COc1cc2ccccc2cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001236676336 1099737494 /nfs/dbraw/zinc/73/74/94/1099737494.db2.gz SHMUFYPXSZVVID-MJGOQNOKSA-N 2 1 310.441 3.232 20 0 DGADMP COc1cc2ccccc2cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001236676336 1099737506 /nfs/dbraw/zinc/73/75/06/1099737506.db2.gz SHMUFYPXSZVVID-MJGOQNOKSA-N 2 1 310.441 3.232 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc2)CC1 ZINC001236681141 1099739489 /nfs/dbraw/zinc/73/94/89/1099739489.db2.gz CFQWDCIHEYBYSG-MISYRCLQSA-N 3 1 315.505 3.148 20 0 DGADMP CCC1(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)COC1 ZINC001236725691 1099759332 /nfs/dbraw/zinc/75/93/32/1099759332.db2.gz BLIUIGNIASPOFI-WGSAOQKQSA-N 2 1 316.489 3.494 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCn2cccn2)CC2CCCCC2)CC1 ZINC001236755817 1099771643 /nfs/dbraw/zinc/77/16/43/1099771643.db2.gz QKGKUZGLCINSHT-WGSAOQKQSA-N 2 1 318.509 3.425 20 0 DGADMP CCC(CC)[N@@H+](Cc1cc(OC)ncc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791414 1099788300 /nfs/dbraw/zinc/78/83/00/1099788300.db2.gz SYKCIDBUTWWQNT-KOMQPUFPSA-N 2 1 323.456 3.490 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCOc3ccc(F)cc3)C2)C1 ZINC001278012399 1099796726 /nfs/dbraw/zinc/79/67/26/1099796726.db2.gz BTSVSRDFWOPJTR-LJQANCHMSA-N 2 1 320.452 3.402 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)cc1Br ZINC001236825760 1099811202 /nfs/dbraw/zinc/81/12/02/1099811202.db2.gz AIQRIMMFBIWPIR-DUVNUKRYSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)cc1Br ZINC001236825760 1099811209 /nfs/dbraw/zinc/81/12/09/1099811209.db2.gz AIQRIMMFBIWPIR-DUVNUKRYSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236827483 1099812225 /nfs/dbraw/zinc/81/22/25/1099812225.db2.gz GFFOPBCYQBGSHF-MAZHCROVSA-N 2 1 323.278 3.235 20 0 DGADMP CCC[N@H+](Cc1cc2cc(OC)ccc2o1)C[C@@H]1CC[NH2+]C1 ZINC001236836279 1099822659 /nfs/dbraw/zinc/82/26/59/1099822659.db2.gz UMPOYCFLCYQMHU-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CCC[N@H+](Cc1cccn1Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236841968 1099825424 /nfs/dbraw/zinc/82/54/24/1099825424.db2.gz BLLYQPOGMVEKSG-IBGZPJMESA-N 2 1 311.473 3.358 20 0 DGADMP CCC[N@H+](Cc1ccc2sc(C)nc2c1)C[C@H]1CC[NH2+]C1 ZINC001236845076 1099829135 /nfs/dbraw/zinc/82/91/35/1099829135.db2.gz YQJDDWGJQODOKZ-HNNXBMFYSA-N 2 1 303.475 3.426 20 0 DGADMP CC[C@H]1CCCC[N@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236889915 1099852373 /nfs/dbraw/zinc/85/23/73/1099852373.db2.gz JOKSNCBEUZFDPZ-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001236898285 1099861151 /nfs/dbraw/zinc/86/11/51/1099861151.db2.gz JZENKQYUNXJIQY-UHFFFAOYSA-N 2 1 323.484 3.379 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)c4ccoc43)C[C@@H]2C1 ZINC001236900881 1099863103 /nfs/dbraw/zinc/86/31/03/1099863103.db2.gz DWYFPAVLHDMXRV-GJZGRUSLSA-N 2 1 302.393 3.346 20 0 DGADMP CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236918072 1099875984 /nfs/dbraw/zinc/87/59/84/1099875984.db2.gz WYEWCOSQWDTXSN-AWEZNQCLSA-N 2 1 317.820 3.327 20 0 DGADMP CC(=O)[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236918072 1099875993 /nfs/dbraw/zinc/87/59/93/1099875993.db2.gz WYEWCOSQWDTXSN-AWEZNQCLSA-N 2 1 317.820 3.327 20 0 DGADMP CCCC[N@H+](CC)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966287 1099895679 /nfs/dbraw/zinc/89/56/79/1099895679.db2.gz GFJWOXCMLGQSML-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CCCC[N@@H+](CC)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966287 1099895683 /nfs/dbraw/zinc/89/56/83/1099895683.db2.gz GFJWOXCMLGQSML-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CCC(CC)[N@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236971690 1099896303 /nfs/dbraw/zinc/89/63/03/1099896303.db2.gz JICFGSYPYDZBNK-UHFFFAOYSA-N 2 1 307.457 3.198 20 0 DGADMP CCC(CC)[N@@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236971690 1099896307 /nfs/dbraw/zinc/89/63/07/1099896307.db2.gz JICFGSYPYDZBNK-UHFFFAOYSA-N 2 1 307.457 3.198 20 0 DGADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001278041342 1099929762 /nfs/dbraw/zinc/92/97/62/1099929762.db2.gz JGNSKMZGXCOGCJ-HNNXBMFYSA-N 2 1 322.493 3.057 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001237056374 1099948679 /nfs/dbraw/zinc/94/86/79/1099948679.db2.gz IPQUFZHQGBVFHY-HNNXBMFYSA-N 2 1 300.368 3.309 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001237056374 1099948685 /nfs/dbraw/zinc/94/86/85/1099948685.db2.gz IPQUFZHQGBVFHY-HNNXBMFYSA-N 2 1 300.368 3.309 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237058114 1099950387 /nfs/dbraw/zinc/95/03/87/1099950387.db2.gz PJEYORAQWSUABI-OAHLLOKOSA-N 2 1 316.367 3.454 20 0 DGADMP C[C@]1(C[NH3+])CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001237059262 1099950720 /nfs/dbraw/zinc/95/07/20/1099950720.db2.gz SBGGLDQZXPWJOV-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001237059734 1099950913 /nfs/dbraw/zinc/95/09/13/1099950913.db2.gz UYHNFMYCXCPGRW-AWEZNQCLSA-N 2 1 304.331 3.405 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001237059734 1099950924 /nfs/dbraw/zinc/95/09/24/1099950924.db2.gz UYHNFMYCXCPGRW-AWEZNQCLSA-N 2 1 304.331 3.405 20 0 DGADMP CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203282810 1099958313 /nfs/dbraw/zinc/95/83/13/1099958313.db2.gz LKKUIBNJXGHVGR-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CCc4nccn4CC3)ccnc12 ZINC001237148590 1099998099 /nfs/dbraw/zinc/99/80/99/1099998099.db2.gz DTDSPPXLCYOBLT-UHFFFAOYSA-N 2 1 312.804 3.143 20 0 DGADMP Clc1cccc2c(CN3CCc4nccn4CC3)ccnc12 ZINC001237148590 1099998108 /nfs/dbraw/zinc/99/81/08/1099998108.db2.gz DTDSPPXLCYOBLT-UHFFFAOYSA-N 2 1 312.804 3.143 20 0 DGADMP COc1cc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237156465 1100005733 /nfs/dbraw/zinc/00/57/33/1100005733.db2.gz WGNKBKJCQZBPHL-QGZVFWFLSA-N 2 1 302.462 3.419 20 0 DGADMP COc1cc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237156465 1100005742 /nfs/dbraw/zinc/00/57/42/1100005742.db2.gz WGNKBKJCQZBPHL-QGZVFWFLSA-N 2 1 302.462 3.419 20 0 DGADMP C[C@@H]1C(=O)CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C12CCCC2 ZINC001237192875 1100025287 /nfs/dbraw/zinc/02/52/87/1100025287.db2.gz ZPUWCKIZIOFQJC-CYBMUJFWSA-N 2 1 318.486 3.118 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C12CCCC2 ZINC001237192875 1100025293 /nfs/dbraw/zinc/02/52/93/1100025293.db2.gz ZPUWCKIZIOFQJC-CYBMUJFWSA-N 2 1 318.486 3.118 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C12CCCC2 ZINC001237191220 1100026119 /nfs/dbraw/zinc/02/61/19/1100026119.db2.gz LIMKGZKQTPOTIZ-OAHLLOKOSA-N 2 1 312.457 3.056 20 0 DGADMP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1C1CCCCC1 ZINC001237250362 1100047833 /nfs/dbraw/zinc/04/78/33/1100047833.db2.gz VUJGCBQYXXUTNI-INIZCTEOSA-N 2 1 313.489 3.129 20 0 DGADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237258020 1100049091 /nfs/dbraw/zinc/04/90/91/1100049091.db2.gz JRHVMLCDUCUJSD-HUUCEWRRSA-N 2 1 311.267 3.193 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC001237258904 1100050487 /nfs/dbraw/zinc/05/04/87/1100050487.db2.gz QMSJSNBNUDKMJU-OAQYLSRUSA-N 2 1 321.468 3.216 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C(F)F ZINC001237275441 1100055361 /nfs/dbraw/zinc/05/53/61/1100055361.db2.gz APRPZKPCGFAPHO-QGZVFWFLSA-N 2 1 310.388 3.160 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C(F)F ZINC001237275441 1100055367 /nfs/dbraw/zinc/05/53/67/1100055367.db2.gz APRPZKPCGFAPHO-QGZVFWFLSA-N 2 1 310.388 3.160 20 0 DGADMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1C(F)F ZINC001237275441 1100055372 /nfs/dbraw/zinc/05/53/72/1100055372.db2.gz APRPZKPCGFAPHO-QGZVFWFLSA-N 2 1 310.388 3.160 20 0 DGADMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C(F)F ZINC001237275441 1100055378 /nfs/dbraw/zinc/05/53/78/1100055378.db2.gz APRPZKPCGFAPHO-QGZVFWFLSA-N 2 1 310.388 3.160 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001237275929 1100057210 /nfs/dbraw/zinc/05/72/10/1100057210.db2.gz SAYFGMZFTOEHAC-LPHOPBHVSA-N 2 1 319.468 3.037 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C(C)C ZINC001237389095 1100104781 /nfs/dbraw/zinc/10/47/81/1100104781.db2.gz FPVWJPDSACQAMF-AEFFLSMTSA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C(C)C ZINC001237389095 1100104786 /nfs/dbraw/zinc/10/47/86/1100104786.db2.gz FPVWJPDSACQAMF-AEFFLSMTSA-N 2 1 302.462 3.393 20 0 DGADMP c1cncc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237394833 1100108328 /nfs/dbraw/zinc/10/83/28/1100108328.db2.gz WKFBZYNFPGGMLR-VQTJNVASSA-N 2 1 307.441 3.323 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)n3)C[C@H]2C1 ZINC001237554867 1100170705 /nfs/dbraw/zinc/17/07/05/1100170705.db2.gz UQIZRYLCMAXJSF-QZTJIDSGSA-N 2 1 307.441 3.132 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4nccc(C)c34)C[C@@H]2C1 ZINC001237632592 1100195322 /nfs/dbraw/zinc/19/53/22/1100195322.db2.gz DRMYBWQMLSMOLF-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4nccc(C)c34)C[C@@H]2C1 ZINC001237632592 1100195327 /nfs/dbraw/zinc/19/53/27/1100195327.db2.gz DRMYBWQMLSMOLF-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)cc21 ZINC001237877736 1100278182 /nfs/dbraw/zinc/27/81/82/1100278182.db2.gz BNUGHPGJLXJKKN-HKUYNNGSSA-N 2 1 324.468 3.489 20 0 DGADMP CCCOc1cc(F)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001237905430 1100287076 /nfs/dbraw/zinc/28/70/76/1100287076.db2.gz NZDOGFRVACZMKF-UHFFFAOYSA-N 2 1 308.441 3.388 20 0 DGADMP c1ccc(C2CCOCC2)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001237903828 1100287398 /nfs/dbraw/zinc/28/73/98/1100287398.db2.gz QLKGKYGHAQPZSJ-UHFFFAOYSA-N 2 1 314.473 3.251 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C2CCOCC2)CC1 ZINC001237904630 1100288104 /nfs/dbraw/zinc/28/81/04/1100288104.db2.gz KUJDCRJEPQOLPI-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C2CCOCC2)CC1 ZINC001237904630 1100288109 /nfs/dbraw/zinc/28/81/09/1100288109.db2.gz KUJDCRJEPQOLPI-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205538466 1100324202 /nfs/dbraw/zinc/32/42/02/1100324202.db2.gz MEBJOUSQEWCKKE-WBVHZDCISA-N 2 1 302.478 3.107 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117196 1100368081 /nfs/dbraw/zinc/36/80/81/1100368081.db2.gz XKXJSEJRIGVNLA-INIZCTEOSA-N 2 1 307.397 3.332 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117196 1100368092 /nfs/dbraw/zinc/36/80/92/1100368092.db2.gz XKXJSEJRIGVNLA-INIZCTEOSA-N 2 1 307.397 3.332 20 0 DGADMP C([C@@H]1CCCC12CCOCC2)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001191119711 1100404512 /nfs/dbraw/zinc/40/45/12/1100404512.db2.gz ADUMDBNPOWHCRJ-ROUUACIJSA-N 2 1 306.494 3.001 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1O ZINC001238361663 1100424650 /nfs/dbraw/zinc/42/46/50/1100424650.db2.gz WDGSCNHDXGGVCC-UHFFFAOYSA-N 2 1 324.440 3.092 20 0 DGADMP CC(C)Oc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1F ZINC001238460510 1100450407 /nfs/dbraw/zinc/45/04/07/1100450407.db2.gz NHFNOUOILCZUPK-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238482018 1100455044 /nfs/dbraw/zinc/45/50/44/1100455044.db2.gz SZRLJIXZSIMMCV-AEFFLSMTSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001238482018 1100455045 /nfs/dbraw/zinc/45/50/45/1100455045.db2.gz SZRLJIXZSIMMCV-AEFFLSMTSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001238482018 1100455046 /nfs/dbraw/zinc/45/50/46/1100455046.db2.gz SZRLJIXZSIMMCV-AEFFLSMTSA-N 2 1 302.462 3.166 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191443895 1100468754 /nfs/dbraw/zinc/46/87/54/1100468754.db2.gz GTGJLPTXGYCTEF-WOJBJXKFSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191443895 1100468759 /nfs/dbraw/zinc/46/87/59/1100468759.db2.gz GTGJLPTXGYCTEF-WOJBJXKFSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191443895 1100468762 /nfs/dbraw/zinc/46/87/62/1100468762.db2.gz GTGJLPTXGYCTEF-WOJBJXKFSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191443892 1100468937 /nfs/dbraw/zinc/46/89/37/1100468937.db2.gz GTGJLPTXGYCTEF-UXHICEINSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191443892 1100468940 /nfs/dbraw/zinc/46/89/40/1100468940.db2.gz GTGJLPTXGYCTEF-UXHICEINSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191443892 1100468945 /nfs/dbraw/zinc/46/89/45/1100468945.db2.gz GTGJLPTXGYCTEF-UXHICEINSA-N 2 1 318.505 3.032 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)cnc3-c3ccccc3)C[C@H]2C1 ZINC001238615330 1100484153 /nfs/dbraw/zinc/48/41/53/1100484153.db2.gz CGQPZUQTTHBMOG-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cnc3-c3ccccc3)C[C@@H]2C1 ZINC001238615330 1100484155 /nfs/dbraw/zinc/48/41/55/1100484155.db2.gz CGQPZUQTTHBMOG-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cnc3-c3ccccc3)C[C@@H]2C1 ZINC001238615330 1100484158 /nfs/dbraw/zinc/48/41/58/1100484158.db2.gz CGQPZUQTTHBMOG-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cnc3-c3ccccc3)C[C@@H]2C1 ZINC001238615330 1100484161 /nfs/dbraw/zinc/48/41/61/1100484161.db2.gz CGQPZUQTTHBMOG-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cnc3-c3ccccc3)C[C@@H]2C1 ZINC001238615330 1100484163 /nfs/dbraw/zinc/48/41/63/1100484163.db2.gz CGQPZUQTTHBMOG-BGYRXZFFSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cnc(C4CC4)c(C)c3)CC2)cc[nH+]1 ZINC001238629918 1100488535 /nfs/dbraw/zinc/48/85/35/1100488535.db2.gz BGVSCQFBHUIAHJ-UHFFFAOYSA-N 2 1 322.456 3.293 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC001238790291 1100531920 /nfs/dbraw/zinc/53/19/20/1100531920.db2.gz LVFJINMGCXCNNK-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908498 1100535059 /nfs/dbraw/zinc/53/50/59/1100535059.db2.gz BYJJLLOYKJDADC-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908498 1100535062 /nfs/dbraw/zinc/53/50/62/1100535062.db2.gz BYJJLLOYKJDADC-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001191908498 1100535067 /nfs/dbraw/zinc/53/50/67/1100535067.db2.gz BYJJLLOYKJDADC-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001191908498 1100535072 /nfs/dbraw/zinc/53/50/72/1100535072.db2.gz BYJJLLOYKJDADC-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205591044 1100596550 /nfs/dbraw/zinc/59/65/50/1100596550.db2.gz CAZHAIUXPMDZPV-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC001205604337 1100647679 /nfs/dbraw/zinc/64/76/79/1100647679.db2.gz VBNMSQUKDHIEEF-JSGCOSHPSA-N 2 1 311.267 3.256 20 0 DGADMP COc1cc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205653256 1100872091 /nfs/dbraw/zinc/87/20/91/1100872091.db2.gz SIOPAEDUEGRBNQ-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP CCOC(=[NH2+])c1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001240247180 1100908142 /nfs/dbraw/zinc/90/81/42/1100908142.db2.gz DVNQUEXZTJQAAD-UHFFFAOYSA-N 2 1 323.440 3.121 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cn1 ZINC001205662698 1100919326 /nfs/dbraw/zinc/91/93/26/1100919326.db2.gz DEUIIIFMRHBHOI-YPMHNXCESA-N 2 1 315.383 3.216 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001195248534 1101105664 /nfs/dbraw/zinc/10/56/64/1101105664.db2.gz ASSLFFHONMDOJL-HZPDHXFCSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001195248534 1101105666 /nfs/dbraw/zinc/10/56/66/1101105666.db2.gz ASSLFFHONMDOJL-HZPDHXFCSA-N 2 1 312.498 3.018 20 0 DGADMP [NH3+]Cc1ccccc1-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001240860562 1101161175 /nfs/dbraw/zinc/16/11/75/1101161175.db2.gz BDJPDGYUKHRUTM-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1COC2(CCCCC2)O1 ZINC001197283536 1101530450 /nfs/dbraw/zinc/53/04/50/1101530450.db2.gz CJILQRAGZILTPT-GOSISDBHSA-N 2 1 324.509 3.260 20 0 DGADMP C[N@H+]1CCC=C(c2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)C1 ZINC001241569578 1101552928 /nfs/dbraw/zinc/55/29/28/1101552928.db2.gz HNNLZOUTHVAPQP-KRWDZBQOSA-N 2 1 310.445 3.070 20 0 DGADMP CCCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001241741858 1101673469 /nfs/dbraw/zinc/67/34/69/1101673469.db2.gz YNIJXJVTPUGSFG-UHFFFAOYSA-N 2 1 307.397 3.477 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOC1CCCCCC1 ZINC001197929225 1101704030 /nfs/dbraw/zinc/70/40/30/1101704030.db2.gz FIECCAUFEQUVTG-QGZVFWFLSA-N 2 1 317.477 3.332 20 0 DGADMP [NH3+]C1(c2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC001241817420 1101723458 /nfs/dbraw/zinc/72/34/58/1101723458.db2.gz OLRJFGIAHTYGGP-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP CC(C)([NH3+])c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001241993610 1101843035 /nfs/dbraw/zinc/84/30/35/1101843035.db2.gz LYEXANNPNVMNBU-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc2ncn([C@@H]3CCC[NH2+]CC3)c2c1 ZINC001242084555 1101900656 /nfs/dbraw/zinc/90/06/56/1101900656.db2.gz TYLTZAFGQHKMHU-OAHLLOKOSA-N 2 1 321.428 3.304 20 0 DGADMP Cc1[nH+]ccn1-c1cc(-c2cccc(C[NH+]3CCCC3)c2)ncn1 ZINC001242117847 1101918741 /nfs/dbraw/zinc/91/87/41/1101918741.db2.gz OJBDLVBTMRZFIS-UHFFFAOYSA-N 2 1 319.412 3.234 20 0 DGADMP O=C1CCCc2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc21 ZINC001242857239 1102382958 /nfs/dbraw/zinc/38/29/58/1102382958.db2.gz RZFOBZYAQZEFIT-UHFFFAOYSA-N 2 1 317.392 3.207 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205902019 1102402938 /nfs/dbraw/zinc/40/29/38/1102402938.db2.gz GYUNRHMDLBTSSA-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205902019 1102402941 /nfs/dbraw/zinc/40/29/41/1102402941.db2.gz GYUNRHMDLBTSSA-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1cccc2nsnc21)C(C)C ZINC001200923931 1102438550 /nfs/dbraw/zinc/43/85/50/1102438550.db2.gz WGUJGVQPUDHALL-UHFFFAOYSA-N 2 1 306.479 3.290 20 0 DGADMP C[NH2+]Cc1cccc(-c2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC001242999894 1102466487 /nfs/dbraw/zinc/46/64/87/1102466487.db2.gz XXQGRNCOWOLEHT-UHFFFAOYSA-N 2 1 310.441 3.214 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915282 1102546793 /nfs/dbraw/zinc/54/67/93/1102546793.db2.gz PAWLPKPQXRCJEN-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915282 1102546804 /nfs/dbraw/zinc/54/68/04/1102546804.db2.gz PAWLPKPQXRCJEN-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201505085 1102616772 /nfs/dbraw/zinc/61/67/72/1102616772.db2.gz YBDCFDCLRAHHOG-IRXDYDNUSA-N 2 1 320.477 3.381 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201509080 1102619840 /nfs/dbraw/zinc/61/98/40/1102619840.db2.gz MOKPAFFMGYNUJS-SFHVURJKSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001201543476 1102631496 /nfs/dbraw/zinc/63/14/96/1102631496.db2.gz HAUGLGAEUHFLSA-QGZVFWFLSA-N 2 1 318.509 3.287 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001201543476 1102631499 /nfs/dbraw/zinc/63/14/99/1102631499.db2.gz HAUGLGAEUHFLSA-QGZVFWFLSA-N 2 1 318.509 3.287 20 0 DGADMP CCC(CC)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001201626343 1102677806 /nfs/dbraw/zinc/67/78/06/1102677806.db2.gz NCGQBJKPAHTUPU-LJQANCHMSA-N 2 1 304.478 3.169 20 0 DGADMP CCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201707116 1102695856 /nfs/dbraw/zinc/69/58/56/1102695856.db2.gz VUHDQXYRKSTUEG-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP CCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201707116 1102695860 /nfs/dbraw/zinc/69/58/60/1102695860.db2.gz VUHDQXYRKSTUEG-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP CCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201707116 1102695864 /nfs/dbraw/zinc/69/58/64/1102695864.db2.gz VUHDQXYRKSTUEG-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973371 1102776665 /nfs/dbraw/zinc/77/66/65/1102776665.db2.gz NGIPNETZYXGUKQ-GBESFXJTSA-N 2 1 308.510 3.412 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973371 1102776678 /nfs/dbraw/zinc/77/66/78/1102776678.db2.gz NGIPNETZYXGUKQ-GBESFXJTSA-N 2 1 308.510 3.412 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973371 1102776690 /nfs/dbraw/zinc/77/66/90/1102776690.db2.gz NGIPNETZYXGUKQ-GBESFXJTSA-N 2 1 308.510 3.412 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973371 1102776703 /nfs/dbraw/zinc/77/67/03/1102776703.db2.gz NGIPNETZYXGUKQ-GBESFXJTSA-N 2 1 308.510 3.412 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC001325745353 1103114384 /nfs/dbraw/zinc/11/43/84/1103114384.db2.gz XKFZFXYBBOXSOZ-OLZOCXBDSA-N 2 1 320.868 3.483 20 0 DGADMP C[C@@]1(CO)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001325996094 1103179465 /nfs/dbraw/zinc/17/94/65/1103179465.db2.gz VUQPUVJDCJCYAZ-HXUWFJFHSA-N 2 1 316.489 3.267 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)oc21 ZINC001326202847 1103232807 /nfs/dbraw/zinc/23/28/07/1103232807.db2.gz VYTUXTZAUAFBAF-UHFFFAOYSA-N 2 1 314.429 3.407 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326236081 1103242590 /nfs/dbraw/zinc/24/25/90/1103242590.db2.gz BWSSYBAMNFZADT-UHFFFAOYSA-N 2 1 316.474 3.104 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326236038 1103243096 /nfs/dbraw/zinc/24/30/96/1103243096.db2.gz AOIOZLFNACSVRA-DAXSKMNVSA-N 2 1 300.446 3.174 20 0 DGADMP CC(C)c1ccc(N)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001244213647 1103282162 /nfs/dbraw/zinc/28/21/62/1103282162.db2.gz CXACYWMBPCHAAI-UHFFFAOYSA-N 2 1 306.413 3.394 20 0 DGADMP c1ccc2sc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)nc2c1 ZINC001326692089 1103409835 /nfs/dbraw/zinc/40/98/35/1103409835.db2.gz ATLGMLAINVMKHD-UHFFFAOYSA-N 2 1 301.459 3.262 20 0 DGADMP C[N@H+]1CCC2(C1)CCN(Cc1cc(-c3ccccc3)on1)CC2 ZINC001276315549 1103486428 /nfs/dbraw/zinc/48/64/28/1103486428.db2.gz DLYVQJLUEURLBQ-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(-c3ccccc3)on1)CC2 ZINC001276315549 1103486437 /nfs/dbraw/zinc/48/64/37/1103486437.db2.gz DLYVQJLUEURLBQ-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(-c3ccccc3)on1)CC2 ZINC001276315549 1103486446 /nfs/dbraw/zinc/48/64/46/1103486446.db2.gz DLYVQJLUEURLBQ-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP Fc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276336476 1103509447 /nfs/dbraw/zinc/50/94/47/1103509447.db2.gz MOMSKOXHSQXOEW-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276336476 1103509456 /nfs/dbraw/zinc/50/94/56/1103509456.db2.gz MOMSKOXHSQXOEW-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328411501 1103937245 /nfs/dbraw/zinc/93/72/45/1103937245.db2.gz GEVACDNUBJZYEM-UHFFFAOYSA-N 2 1 321.896 3.372 20 0 DGADMP Clc1ccccc1OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328492646 1103967568 /nfs/dbraw/zinc/96/75/68/1103967568.db2.gz NKHVXWXRXWOMME-UHFFFAOYSA-N 2 1 308.853 3.184 20 0 DGADMP C[NH+](C)CCCOc1ccc(-c2ccc3[nH+]c(N)[nH]c3c2)cc1 ZINC001245337835 1103991776 /nfs/dbraw/zinc/99/17/76/1103991776.db2.gz COZAKJCIRRBHNL-UHFFFAOYSA-N 2 1 310.401 3.143 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)nn1 ZINC001245346298 1103996509 /nfs/dbraw/zinc/99/65/09/1103996509.db2.gz BQYDLNWGMPLRKX-INIZCTEOSA-N 2 1 305.385 3.062 20 0 DGADMP Nc1ccc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc2c1 ZINC001245364762 1104009473 /nfs/dbraw/zinc/00/94/73/1104009473.db2.gz HNSARLFSFAOBIM-UHFFFAOYSA-N 2 1 314.392 3.424 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205980970 1104145285 /nfs/dbraw/zinc/14/52/85/1104145285.db2.gz AMRYRFLTFLZEJD-OCCSQVGLSA-N 2 1 311.267 3.256 20 0 DGADMP CCc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1OC ZINC001245789862 1104237945 /nfs/dbraw/zinc/23/79/45/1104237945.db2.gz GPROOSWIPHFIMX-UHFFFAOYSA-N 2 1 307.397 3.259 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001329375666 1104238536 /nfs/dbraw/zinc/23/85/36/1104238536.db2.gz MWQWZDMEXHCNPH-DOTOQJQBSA-N 2 1 313.470 3.384 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001329375666 1104238545 /nfs/dbraw/zinc/23/85/45/1104238545.db2.gz MWQWZDMEXHCNPH-DOTOQJQBSA-N 2 1 313.470 3.384 20 0 DGADMP c1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)oc1-c1ccccc1 ZINC001329579409 1104329848 /nfs/dbraw/zinc/32/98/48/1104329848.db2.gz KSDJCKKLBUHNDQ-UHFFFAOYSA-N 2 1 311.429 3.307 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246042423 1104358729 /nfs/dbraw/zinc/35/87/29/1104358729.db2.gz GGCAPCWWGQWKJJ-PCCBWWKXSA-N 2 1 324.468 3.063 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+](C[C@H](O)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246055235 1104359445 /nfs/dbraw/zinc/35/94/45/1104359445.db2.gz MGYKLQWTAXGEPT-SFHVURJKSA-N 2 1 322.468 3.095 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246054916 1104359965 /nfs/dbraw/zinc/35/99/65/1104359965.db2.gz LNWONQCTTCKOIF-BZSNNMDCSA-N 2 1 322.468 3.449 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000717587012 1104360422 /nfs/dbraw/zinc/36/04/22/1104360422.db2.gz HXIMQPGVBLWING-UHFFFAOYSA-N 2 1 309.457 3.365 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000717587012 1104360432 /nfs/dbraw/zinc/36/04/32/1104360432.db2.gz HXIMQPGVBLWING-UHFFFAOYSA-N 2 1 309.457 3.365 20 0 DGADMP CCC[C@H](O)C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064566 1104362414 /nfs/dbraw/zinc/36/24/14/1104362414.db2.gz FKDKFKGHHLCLRT-FHWLQOOXSA-N 2 1 304.478 3.228 20 0 DGADMP CCC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066526 1104365088 /nfs/dbraw/zinc/36/50/88/1104365088.db2.gz KLAMJUIDBZXYCN-GUDVDZBRSA-N 2 1 304.478 3.228 20 0 DGADMP CC[C@@H]1CC([NH2+]Cc2cc(OC)cc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246073905 1104367247 /nfs/dbraw/zinc/36/72/47/1104367247.db2.gz LNZNJALTRAFJQF-HUUCEWRRSA-N 2 1 306.450 3.103 20 0 DGADMP CCCC[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074735 1104369817 /nfs/dbraw/zinc/36/98/17/1104369817.db2.gz QEIPEVCUDUIORD-HSALFYBXSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074735 1104369829 /nfs/dbraw/zinc/36/98/29/1104369829.db2.gz QEIPEVCUDUIORD-HSALFYBXSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074742 1104370614 /nfs/dbraw/zinc/37/06/14/1104370614.db2.gz QEIPEVCUDUIORD-SLFFLAALSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074742 1104370624 /nfs/dbraw/zinc/37/06/24/1104370624.db2.gz QEIPEVCUDUIORD-SLFFLAALSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)C[C@H](C)[NH2+]1 ZINC001246077938 1104372695 /nfs/dbraw/zinc/37/26/95/1104372695.db2.gz YHTBCXUHIMWFOC-DDFAGTSDSA-N 2 1 315.230 3.207 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246086475 1104377555 /nfs/dbraw/zinc/37/75/55/1104377555.db2.gz CGEGJUQAOVOIKS-FQEVSTJZSA-N 2 1 317.521 3.063 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246089662 1104377758 /nfs/dbraw/zinc/37/77/58/1104377758.db2.gz RMAXYYXFTBAQAX-HXUWFJFHSA-N 2 1 317.521 3.063 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C2CCC(OCc3ccccc3)CC2)C[NH2+]1 ZINC001246084753 1104378099 /nfs/dbraw/zinc/37/80/99/1104378099.db2.gz MGSQOMNPUCASNE-BARLLCKDSA-N 2 1 302.462 3.245 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246092992 1104382829 /nfs/dbraw/zinc/38/28/29/1104382829.db2.gz UHORYTVWGGWLAQ-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@]2(C)CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001246096751 1104384153 /nfs/dbraw/zinc/38/41/53/1104384153.db2.gz FWPWGLJTUAWXDI-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001246096751 1104384165 /nfs/dbraw/zinc/38/41/65/1104384165.db2.gz FWPWGLJTUAWXDI-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097520 1104384887 /nfs/dbraw/zinc/38/48/87/1104384887.db2.gz ORDQUQYBUZRKQR-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097520 1104384900 /nfs/dbraw/zinc/38/49/00/1104384900.db2.gz ORDQUQYBUZRKQR-MISYRCLQSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097520 1104384911 /nfs/dbraw/zinc/38/49/11/1104384911.db2.gz ORDQUQYBUZRKQR-MISYRCLQSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246109225 1104390738 /nfs/dbraw/zinc/39/07/38/1104390738.db2.gz AGGITDRMOXLVHA-LALPHHSUSA-N 2 1 316.367 3.104 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH2+]C1 ZINC001246114548 1104392500 /nfs/dbraw/zinc/39/25/00/1104392500.db2.gz PXXTVAVQQBGEPI-HNBVOPMISA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246112208 1104392717 /nfs/dbraw/zinc/39/27/17/1104392717.db2.gz DZDXCQGUUCATDT-DLBZAZTESA-N 2 1 318.461 3.262 20 0 DGADMP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOc4ccccc43)CC[NH2+]2)cc1 ZINC001246116286 1104393942 /nfs/dbraw/zinc/39/39/42/1104393942.db2.gz YKCJRLGKWUHQOW-NLWGTHIKSA-N 2 1 322.452 3.463 20 0 DGADMP F[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246116221 1104394129 /nfs/dbraw/zinc/39/41/29/1104394129.db2.gz WBAWCSSLOBKXEC-IRXDYDNUSA-N 2 1 310.844 3.269 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246118241 1104394231 /nfs/dbraw/zinc/39/42/31/1104394231.db2.gz OPPSDIIFAUHQJW-AKWBHNSASA-N 2 1 313.272 3.438 20 0 DGADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CCOc4ccccc43)CC[NH2+]2)cc1 ZINC001246116287 1104395078 /nfs/dbraw/zinc/39/50/78/1104395078.db2.gz YKCJRLGKWUHQOW-QWFCFKBJSA-N 2 1 322.452 3.463 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246131416 1104400332 /nfs/dbraw/zinc/40/03/32/1104400332.db2.gz JVBMCUWEFUUMSA-WFASDCNBSA-N 2 1 323.278 3.112 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)CC2 ZINC001246136055 1104401704 /nfs/dbraw/zinc/40/17/04/1104401704.db2.gz QYJRWXGLPDXTFQ-UYHISHBKSA-N 2 1 320.864 3.080 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246145326 1104404502 /nfs/dbraw/zinc/40/45/02/1104404502.db2.gz MEKLFTWFLIDWDB-BMIGLBTASA-N 2 1 320.786 3.231 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246145332 1104404894 /nfs/dbraw/zinc/40/48/94/1104404894.db2.gz MEKLFTWFLIDWDB-MEBBXXQBSA-N 2 1 320.786 3.231 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246159956 1104409440 /nfs/dbraw/zinc/40/94/40/1104409440.db2.gz RFHRCAZOLKNFTL-LLVKDONJSA-N 2 1 304.331 3.465 20 0 DGADMP CC(C)(C)C1CCC([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)CC1 ZINC001246160700 1104411265 /nfs/dbraw/zinc/41/12/65/1104411265.db2.gz OSLTWCSTCJZDAV-HTPOPCQBSA-N 2 1 308.510 3.482 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160717 1104411389 /nfs/dbraw/zinc/41/13/89/1104411389.db2.gz PCJOMRWJNQBUSZ-YSIASYRMSA-N 2 1 316.489 3.207 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160715 1104412064 /nfs/dbraw/zinc/41/20/64/1104412064.db2.gz PCJOMRWJNQBUSZ-MISYRCLQSA-N 2 1 316.489 3.207 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(Br)c(F)c2)C[C@H](C)[NH2+]1 ZINC001246211078 1104439066 /nfs/dbraw/zinc/43/90/66/1104439066.db2.gz LJDKDDXOXWVIDB-UWVGGRQHSA-N 2 1 315.230 3.207 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246191457 1104430055 /nfs/dbraw/zinc/43/00/55/1104430055.db2.gz RLNYLBAAOIRGCH-QGZVFWFLSA-N 2 1 316.445 3.018 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccccc1 ZINC001246190439 1104430300 /nfs/dbraw/zinc/43/03/00/1104430300.db2.gz NGLUWZHBINNPGK-KSZLIROESA-N 2 1 303.494 3.046 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246199794 1104433489 /nfs/dbraw/zinc/43/34/89/1104433489.db2.gz LHURAEFVUAMDAF-IAGOWNOFSA-N 2 1 322.493 3.010 20 0 DGADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC2(CC2)CC1 ZINC001246202449 1104435918 /nfs/dbraw/zinc/43/59/18/1104435918.db2.gz NPJFFJHGTJYQQT-HNNXBMFYSA-N 2 1 310.482 3.138 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246208114 1104437237 /nfs/dbraw/zinc/43/72/37/1104437237.db2.gz CKCWOLJUAREDAZ-XPYUAMARSA-N 3 1 319.468 3.034 20 0 DGADMP CC(C)C1CCC([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC001246208186 1104437491 /nfs/dbraw/zinc/43/74/91/1104437491.db2.gz SHLXXDDCCPDEOB-GPANFISMSA-N 2 1 312.498 3.240 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246219830 1104443432 /nfs/dbraw/zinc/44/34/32/1104443432.db2.gz HXHJRJWVFINFRQ-DOMZBBRYSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246233955 1104450291 /nfs/dbraw/zinc/45/02/91/1104450291.db2.gz VMWUMMHMVREUBP-PWSUYJOCSA-N 2 1 320.786 3.245 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)cc1C(F)(F)F ZINC001246233743 1104451001 /nfs/dbraw/zinc/45/10/01/1104451001.db2.gz LRYXVWWDKIFVKV-GFCCVEGCSA-N 2 1 316.367 3.334 20 0 DGADMP COC[C@H]([NH3+])C[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246241184 1104453723 /nfs/dbraw/zinc/45/37/23/1104453723.db2.gz QOZXKDKJSKEXAY-QFBILLFUSA-N 2 1 312.457 3.160 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246260970 1104463608 /nfs/dbraw/zinc/46/36/08/1104463608.db2.gz UUUHXLMIBGWMQN-IXDOHACOSA-N 2 1 310.869 3.274 20 0 DGADMP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246267978 1104465330 /nfs/dbraw/zinc/46/53/30/1104465330.db2.gz GMLKQMMLBSNGGK-IZZQQSIFSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246266380 1104465999 /nfs/dbraw/zinc/46/59/99/1104465999.db2.gz KFWFXYKCJMJGJN-WMLDXEAASA-N 2 1 318.461 3.466 20 0 DGADMP C[NH2+]C1CCC([NH2+][C@@H](CCC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001246267488 1104466077 /nfs/dbraw/zinc/46/60/77/1104466077.db2.gz ICIVEZHNCHUERQ-GPANFISMSA-N 2 1 312.498 3.253 20 0 DGADMP CCOC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1)c1ccccc1 ZINC001246292717 1104475438 /nfs/dbraw/zinc/47/54/38/1104475438.db2.gz PLRXLJAICXLAPB-KURKYZTESA-N 2 1 318.461 3.047 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3cc(F)ccc32)CC[NH2+]1 ZINC001246312685 1104484402 /nfs/dbraw/zinc/48/44/02/1104484402.db2.gz AJEGLEYMANEAHG-LXZKKBNFSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC001246324017 1104489529 /nfs/dbraw/zinc/48/95/29/1104489529.db2.gz DOOLFSKAJFPFJO-PVXIVEMSSA-N 2 1 323.278 3.037 20 0 DGADMP CCCCCCOC(=O)CCCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246339733 1104498701 /nfs/dbraw/zinc/49/87/01/1104498701.db2.gz GRQGMOHWBHWDDR-IRXDYDNUSA-N 2 1 312.498 3.400 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)c1 ZINC001246343980 1104498973 /nfs/dbraw/zinc/49/89/73/1104498973.db2.gz FEMUPOJFUHULGY-QDMKHBRRSA-N 2 1 324.490 3.324 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246345854 1104500142 /nfs/dbraw/zinc/50/01/42/1104500142.db2.gz OXBXOYNQWPOCMW-FZMZJTMJSA-N 2 1 318.383 3.479 20 0 DGADMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)N2 ZINC001246351342 1104504684 /nfs/dbraw/zinc/50/46/84/1104504684.db2.gz MNQHDHWBRRFNBC-ROUUACIJSA-N 2 1 313.489 3.410 20 0 DGADMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)N2 ZINC001246351342 1104504692 /nfs/dbraw/zinc/50/46/92/1104504692.db2.gz MNQHDHWBRRFNBC-ROUUACIJSA-N 2 1 313.489 3.410 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@@H]1N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246358790 1104505597 /nfs/dbraw/zinc/50/55/97/1104505597.db2.gz BRHLWYPJYKGUDT-ZWKOTPCHSA-N 2 1 319.537 3.438 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OCC)cc2)CC[NH2+]1 ZINC001246363998 1104509517 /nfs/dbraw/zinc/50/95/17/1104509517.db2.gz RNLPSFHQLAVRKZ-MSOLQXFVSA-N 2 1 318.461 3.264 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246364153 1104509778 /nfs/dbraw/zinc/50/97/78/1104509778.db2.gz SYEYQGUHFZOHDD-HSALFYBXSA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246364153 1104509791 /nfs/dbraw/zinc/50/97/91/1104509791.db2.gz SYEYQGUHFZOHDD-HSALFYBXSA-N 3 1 319.537 3.153 20 0 DGADMP C([NH2+][C@@H]1CCCCNC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001246370088 1104513303 /nfs/dbraw/zinc/51/33/03/1104513303.db2.gz XCKKDYYBPPDKFR-LJQANCHMSA-N 2 1 307.526 3.010 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CN1 ZINC001246387533 1104521190 /nfs/dbraw/zinc/52/11/90/1104521190.db2.gz GUFGIFRBQYHEOR-PBHICJAKSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246387533 1104521196 /nfs/dbraw/zinc/52/11/96/1104521196.db2.gz GUFGIFRBQYHEOR-PBHICJAKSA-N 2 1 322.880 3.118 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246394827 1104523986 /nfs/dbraw/zinc/52/39/86/1104523986.db2.gz JXRIEGRZNYTIOG-OALUTQOASA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccncc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246398756 1104526054 /nfs/dbraw/zinc/52/60/54/1104526054.db2.gz WJMRLJWHLBEDLY-HCKVZZMMSA-N 2 1 313.367 3.282 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ncccc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246399536 1104527912 /nfs/dbraw/zinc/52/79/12/1104527912.db2.gz ZTULUSHZPBZKSR-SCDSUCTJSA-N 2 1 313.367 3.282 20 0 DGADMP CN1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCOCc1ccccc1)C2 ZINC001274884329 1104534186 /nfs/dbraw/zinc/53/41/86/1104534186.db2.gz FJBZVOCTPLDLTD-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C1=CO[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)CC1 ZINC001274899354 1104536575 /nfs/dbraw/zinc/53/65/75/1104536575.db2.gz IEHKVZSVDLHPJZ-ZIFCJYIRSA-N 2 1 304.478 3.266 20 0 DGADMP C1=CO[C@@H](C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)CC1 ZINC001274899354 1104536584 /nfs/dbraw/zinc/53/65/84/1104536584.db2.gz IEHKVZSVDLHPJZ-ZIFCJYIRSA-N 2 1 304.478 3.266 20 0 DGADMP C1=CO[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)CC1 ZINC001274899354 1104536593 /nfs/dbraw/zinc/53/65/93/1104536593.db2.gz IEHKVZSVDLHPJZ-ZIFCJYIRSA-N 2 1 304.478 3.266 20 0 DGADMP C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440226 1104540905 /nfs/dbraw/zinc/54/09/05/1104540905.db2.gz CWFKLWUQDMCLIS-UTRMSSBJSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440226 1104540912 /nfs/dbraw/zinc/54/09/12/1104540912.db2.gz CWFKLWUQDMCLIS-UTRMSSBJSA-N 3 1 319.468 3.038 20 0 DGADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[C@H](C)NC1 ZINC001246441808 1104541500 /nfs/dbraw/zinc/54/15/00/1104541500.db2.gz JVWAHYMENKNNJF-FRYIKTPZSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[C@H](C)NC1 ZINC001246441808 1104541511 /nfs/dbraw/zinc/54/15/11/1104541511.db2.gz JVWAHYMENKNNJF-FRYIKTPZSA-N 2 1 315.505 3.207 20 0 DGADMP CCOC(=O)CC[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274933958 1104547857 /nfs/dbraw/zinc/54/78/57/1104547857.db2.gz QBVGQACBXVLTDQ-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274933958 1104547863 /nfs/dbraw/zinc/54/78/63/1104547863.db2.gz QBVGQACBXVLTDQ-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001274933958 1104547868 /nfs/dbraw/zinc/54/78/68/1104547868.db2.gz QBVGQACBXVLTDQ-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001274933958 1104547878 /nfs/dbraw/zinc/54/78/78/1104547878.db2.gz QBVGQACBXVLTDQ-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP COCOCCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001274934758 1104548311 /nfs/dbraw/zinc/54/83/11/1104548311.db2.gz DZCVMJXZWAEKEZ-UHFFFAOYSA-N 2 1 324.509 3.118 20 0 DGADMP C[C@@H](CC1CC1)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246485770 1104560316 /nfs/dbraw/zinc/56/03/16/1104560316.db2.gz NQXURCFLRFONGG-MAUKXSAKSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246485330 1104561459 /nfs/dbraw/zinc/56/14/59/1104561459.db2.gz IFONWZWYKAPENU-JSGCOSHPSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246490665 1104562551 /nfs/dbraw/zinc/56/25/51/1104562551.db2.gz RGJIQFXGVAWGFQ-GXTWGEPZSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546069 1104588715 /nfs/dbraw/zinc/58/87/15/1104588715.db2.gz ZBSVTYDTWGJDJM-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246490643 1104563608 /nfs/dbraw/zinc/56/36/08/1104563608.db2.gz FNGUIIYJWFCAOJ-BZPMIXESSA-N 2 1 316.367 3.104 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546069 1104588718 /nfs/dbraw/zinc/58/87/18/1104588718.db2.gz ZBSVTYDTWGJDJM-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001246494118 1104564451 /nfs/dbraw/zinc/56/44/51/1104564451.db2.gz DPUAHYXMBBXYRD-UHFFFAOYSA-N 2 1 312.498 3.386 20 0 DGADMP CCCC[C@H](CC)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246499183 1104566466 /nfs/dbraw/zinc/56/64/66/1104566466.db2.gz CMWXQDMHFDIIKE-GJZGRUSLSA-N 2 1 300.487 3.384 20 0 DGADMP COc1cccc([C@@H](C[NH3+])N[C@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508846 1104569877 /nfs/dbraw/zinc/56/98/77/1104569877.db2.gz FIXSGKQPXBZJLY-AZUAARDMSA-N 2 1 310.441 3.151 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2cccs2)c1 ZINC001274990674 1104572354 /nfs/dbraw/zinc/57/23/54/1104572354.db2.gz NBQWSLYAMFQMMS-ALOPSCKCSA-N 2 1 315.486 3.404 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C[NH2+]1 ZINC001246515854 1104574830 /nfs/dbraw/zinc/57/48/30/1104574830.db2.gz UOMCQACQKXZGOK-UTKZUKDTSA-N 2 1 308.469 3.354 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC001246520623 1104575464 /nfs/dbraw/zinc/57/54/64/1104575464.db2.gz UELKGGWTGSWRFP-MJGOQNOKSA-N 2 1 301.478 3.119 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246525657 1104577383 /nfs/dbraw/zinc/57/73/83/1104577383.db2.gz ZVEIPMQIWJMURR-MRXNPFEDSA-N 2 1 320.427 3.288 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246523534 1104578295 /nfs/dbraw/zinc/57/82/95/1104578295.db2.gz NJNRCZSQKMVEOU-KRWDZBQOSA-N 2 1 314.473 3.018 20 0 DGADMP CCCC[C@@H]1C[C@@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246529026 1104579732 /nfs/dbraw/zinc/57/97/32/1104579732.db2.gz QACFGVMTQXHIPB-HSALFYBXSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@@H]1C[C@@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528004 1104579967 /nfs/dbraw/zinc/57/99/67/1104579967.db2.gz NFOUYYJTGFGOJF-IYWMVGAKSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246536559 1104582319 /nfs/dbraw/zinc/58/23/19/1104582319.db2.gz QVAFZNBPOYNXRZ-CGTJXYLNSA-N 2 1 304.478 3.479 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540028 1104583388 /nfs/dbraw/zinc/58/33/88/1104583388.db2.gz JLAPQLRTBIPYSL-SDDRHHMPSA-N 2 1 316.823 3.466 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@@H]([NH3+])CC1)CC2 ZINC001246538481 1104583666 /nfs/dbraw/zinc/58/36/66/1104583666.db2.gz CERJUDWBIDXLNP-CHWSQXEVSA-N 2 1 308.853 3.019 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3C)CC2)CC[NH2+]1 ZINC001246537568 1104584205 /nfs/dbraw/zinc/58/42/05/1104584205.db2.gz KQFBSPIRZWNYIP-RTBURBONSA-N 2 1 315.505 3.428 20 0 DGADMP CCc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(CC)c1O ZINC001275031911 1104584422 /nfs/dbraw/zinc/58/44/22/1104584422.db2.gz XWMTTYGLAHRVOA-KDURUIRLSA-N 2 1 316.489 3.291 20 0 DGADMP CCc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(CC)c1O ZINC001275031911 1104584431 /nfs/dbraw/zinc/58/44/31/1104584431.db2.gz XWMTTYGLAHRVOA-KDURUIRLSA-N 2 1 316.489 3.291 20 0 DGADMP CCc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc(CC)c1O ZINC001275031911 1104584436 /nfs/dbraw/zinc/58/44/36/1104584436.db2.gz XWMTTYGLAHRVOA-KDURUIRLSA-N 2 1 316.489 3.291 20 0 DGADMP Cc1ccccc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246542683 1104586702 /nfs/dbraw/zinc/58/67/02/1104586702.db2.gz XCVODJCCNJJILP-MJGOQNOKSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246547366 1104587743 /nfs/dbraw/zinc/58/77/43/1104587743.db2.gz PFYHXQRPULHQNM-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246546453 1104588733 /nfs/dbraw/zinc/58/87/33/1104588733.db2.gz GNJWLWUFMQPUHX-RHSMWYFYSA-N 2 1 310.844 3.350 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC001246552567 1104590903 /nfs/dbraw/zinc/59/09/03/1104590903.db2.gz QEJHGXRQQKEXAH-XNYRCJLNSA-N 2 1 302.462 3.293 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246550818 1104591487 /nfs/dbraw/zinc/59/14/87/1104591487.db2.gz OHVHQSAAMQUEHM-IAGOWNOFSA-N 2 1 310.844 3.350 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246549313 1104591606 /nfs/dbraw/zinc/59/16/06/1104591606.db2.gz JYYSNRSFTOHCLX-LALPHHSUSA-N 2 1 311.267 3.192 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246553697 1104592345 /nfs/dbraw/zinc/59/23/45/1104592345.db2.gz UFOYIXAQSXMJBD-FVPXHTFXSA-N 2 1 316.489 3.431 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)CCC1(F)F ZINC001246554976 1104593196 /nfs/dbraw/zinc/59/31/96/1104593196.db2.gz AGQPSUWDUDXMSN-AXFHLTTASA-N 2 1 300.315 3.023 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246560320 1104595918 /nfs/dbraw/zinc/59/59/18/1104595918.db2.gz CLKUWLLDKVULCD-LSDHHAIUSA-N 2 1 321.896 3.368 20 0 DGADMP C[C@H]1C[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CCC[C@@H]1C[NH3+] ZINC001246559480 1104596154 /nfs/dbraw/zinc/59/61/54/1104596154.db2.gz AKUDDASBEDJTIZ-ORBLRFAASA-N 2 1 324.509 3.194 20 0 DGADMP C[C@@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)CCC[C@H]1C[NH3+] ZINC001246570749 1104600006 /nfs/dbraw/zinc/60/00/06/1104600006.db2.gz VECUQGLXZZVCPC-CVEARBPZSA-N 2 1 319.468 3.101 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001246573111 1104602401 /nfs/dbraw/zinc/60/24/01/1104602401.db2.gz GEHVNHSDTIAESF-LPHOPBHVSA-N 2 1 304.478 3.467 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@@](C)(C[NH3+])CC1)C2 ZINC001246577771 1104603535 /nfs/dbraw/zinc/60/35/35/1104603535.db2.gz PIHLUVWJKDPMMM-QFBILLFUSA-N 2 1 302.462 3.003 20 0 DGADMP CC1(C)COC2(CCC([N@H+]3CCC[C@](C)(C[NH3+])CC3)CC2)OC1 ZINC001246578550 1104603707 /nfs/dbraw/zinc/60/37/07/1104603707.db2.gz RYPRYQNHNCOTNH-SFHVURJKSA-N 2 1 324.509 3.149 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001246585145 1104606662 /nfs/dbraw/zinc/60/66/62/1104606662.db2.gz OMGCVFKTLUNEJB-VQIMIIECSA-N 2 1 304.478 3.467 20 0 DGADMP CC(C)[N@@H+]([C@@H]1CCN[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589890 1104607999 /nfs/dbraw/zinc/60/79/99/1104607999.db2.gz GDVKZOLBTXMJQV-VAMGGRTRSA-N 2 1 315.505 3.332 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589890 1104608003 /nfs/dbraw/zinc/60/80/03/1104608003.db2.gz GDVKZOLBTXMJQV-VAMGGRTRSA-N 2 1 315.505 3.332 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(C(=O)OCC)C2)CC[NH2+]1 ZINC001246591853 1104609535 /nfs/dbraw/zinc/60/95/35/1104609535.db2.gz ODECMAHRAWTNRN-ZIFCJYIRSA-N 2 1 324.509 3.353 20 0 DGADMP CCC[C@H](C)C[N@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275074308 1104609792 /nfs/dbraw/zinc/60/97/92/1104609792.db2.gz QKBVXZLUWJBQFJ-WMZOPIPTSA-N 2 1 304.482 3.134 20 0 DGADMP F[C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCCC1(F)F ZINC001246591061 1104610390 /nfs/dbraw/zinc/61/03/90/1104610390.db2.gz VIQDAOAAZKBKAT-CQSZACIVSA-N 2 1 304.400 3.368 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246592395 1104610901 /nfs/dbraw/zinc/61/09/01/1104610901.db2.gz AUMAZFMXLGYOGN-RBUKOAKNSA-N 3 1 321.553 3.399 20 0 DGADMP C[NH2+]CC1C[NH+]([C@H](C)CCc2ccc3cc(OC)ccc3c2)C1 ZINC001246593272 1104610959 /nfs/dbraw/zinc/61/09/59/1104610959.db2.gz AZZFZORTILNHHN-OAHLLOKOSA-N 2 1 312.457 3.321 20 0 DGADMP CC[C@@H]1CC([N@@H+]2CCc3cc4c(cc3C2)OCO4)C[C@@H](CC)[NH2+]1 ZINC001246594167 1104611938 /nfs/dbraw/zinc/61/19/38/1104611938.db2.gz DSBGAZZVAFXXCZ-HZPDHXFCSA-N 2 1 316.445 3.083 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCc3cc4c(cc3C2)OCO4)C[C@@H](CC)[NH2+]1 ZINC001246594167 1104611940 /nfs/dbraw/zinc/61/19/40/1104611940.db2.gz DSBGAZZVAFXXCZ-HZPDHXFCSA-N 2 1 316.445 3.083 20 0 DGADMP CCCCCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246597928 1104614023 /nfs/dbraw/zinc/61/40/23/1104614023.db2.gz XVEMACWHTVAHQO-LNLFQRSKSA-N 2 1 324.509 3.210 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246602039 1104617886 /nfs/dbraw/zinc/61/78/86/1104617886.db2.gz BSQUVVTXWWUTDG-WMZOPIPTSA-N 2 1 310.482 3.107 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@]34CCC[NH2+]CC4)CCN2)cc1 ZINC001246602826 1104620910 /nfs/dbraw/zinc/62/09/10/1104620910.db2.gz CSRPFTWZGYYCGH-SLFFLAALSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602826 1104620917 /nfs/dbraw/zinc/62/09/17/1104620917.db2.gz CSRPFTWZGYYCGH-SLFFLAALSA-N 3 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602826 1104620922 /nfs/dbraw/zinc/62/09/22/1104620922.db2.gz CSRPFTWZGYYCGH-SLFFLAALSA-N 3 1 313.489 3.088 20 0 DGADMP Fc1cccc2c1CC[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246606827 1104621635 /nfs/dbraw/zinc/62/16/35/1104621635.db2.gz CBRDKMSCSBAVRD-INIZCTEOSA-N 2 1 302.437 3.291 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@]34CCC[NH2+]C4)CCO2)cc1 ZINC001246605091 1104621688 /nfs/dbraw/zinc/62/16/88/1104621688.db2.gz AEXDLBVSMZNZQV-QYZOEREBSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246626090 1104632962 /nfs/dbraw/zinc/63/29/62/1104632962.db2.gz GNYVCPVCYFAOFE-QXWDQEIOSA-N 2 1 310.485 3.497 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246622977 1104633017 /nfs/dbraw/zinc/63/30/17/1104633017.db2.gz LDMPIYXYKPZJMO-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246622977 1104633020 /nfs/dbraw/zinc/63/30/20/1104633020.db2.gz LDMPIYXYKPZJMO-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246623058 1104633288 /nfs/dbraw/zinc/63/32/88/1104633288.db2.gz JNEPYIJUCXOLKY-MRHSLFKSSA-N 2 1 313.489 3.294 20 0 DGADMP C[C@H](Cc1ccccc1F)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246626494 1104634315 /nfs/dbraw/zinc/63/43/15/1104634315.db2.gz USPBBJHUIAQOPT-APWZRJJASA-N 2 1 324.443 3.446 20 0 DGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246630718 1104636047 /nfs/dbraw/zinc/63/60/47/1104636047.db2.gz KWOFSENALKCZGU-VAMGGRTRSA-N 2 1 316.489 3.098 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246630459 1104636736 /nfs/dbraw/zinc/63/67/36/1104636736.db2.gz OWJREHFFSZLCHS-UGSOOPFHSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246630459 1104636747 /nfs/dbraw/zinc/63/67/47/1104636747.db2.gz OWJREHFFSZLCHS-UGSOOPFHSA-N 2 1 324.390 3.037 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)C2 ZINC001246631944 1104637192 /nfs/dbraw/zinc/63/71/92/1104637192.db2.gz VFVJENPEUUZBQX-JZXOWHBKSA-N 2 1 304.865 3.129 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631051 1104637225 /nfs/dbraw/zinc/63/72/25/1104637225.db2.gz OKHDSSVMMGINHV-CJNGLKHVSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631051 1104637231 /nfs/dbraw/zinc/63/72/31/1104637231.db2.gz OKHDSSVMMGINHV-CJNGLKHVSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631056 1104637362 /nfs/dbraw/zinc/63/73/62/1104637362.db2.gz OKHDSSVMMGINHV-XJKSGUPXSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631056 1104637363 /nfs/dbraw/zinc/63/73/63/1104637363.db2.gz OKHDSSVMMGINHV-XJKSGUPXSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632690 1104637963 /nfs/dbraw/zinc/63/79/63/1104637963.db2.gz ZBSANJMOKTWIFY-ZDUSSCGKSA-N 2 1 323.278 3.066 20 0 DGADMP C1CCC2(C1)CCC([N@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633054 1104638622 /nfs/dbraw/zinc/63/86/22/1104638622.db2.gz DGUDRESRANNZGB-IBGZPJMESA-N 2 1 306.494 3.191 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634510 1104638791 /nfs/dbraw/zinc/63/87/91/1104638791.db2.gz OBEUBTWGUVJEPG-SJLPKXTDSA-N 2 1 310.482 3.107 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634513 1104639006 /nfs/dbraw/zinc/63/90/06/1104639006.db2.gz OBEUBTWGUVJEPG-WMZOPIPTSA-N 2 1 310.482 3.107 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246639181 1104640436 /nfs/dbraw/zinc/64/04/36/1104640436.db2.gz NPSVYIIPLQOOAG-OAHLLOKOSA-N 2 1 304.865 3.273 20 0 DGADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001246638638 1104640869 /nfs/dbraw/zinc/64/08/69/1104640869.db2.gz NGTXXPSZXJIZIJ-WBVHZDCISA-N 2 1 308.416 3.247 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246643407 1104641893 /nfs/dbraw/zinc/64/18/93/1104641893.db2.gz GWZSASGGRXAUPJ-LMMKCTJWSA-N 3 1 307.526 3.150 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246646343 1104643990 /nfs/dbraw/zinc/64/39/90/1104643990.db2.gz YPMIEQKPXUOBBM-IBGZPJMESA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246646343 1104643995 /nfs/dbraw/zinc/64/39/95/1104643995.db2.gz YPMIEQKPXUOBBM-IBGZPJMESA-N 2 1 316.489 3.242 20 0 DGADMP c1ccc([C@H]2C[C@H]([N@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647692 1104645605 /nfs/dbraw/zinc/64/56/05/1104645605.db2.gz MLNXBIGTRXLEGV-RTBURBONSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@H]2C[C@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647692 1104645610 /nfs/dbraw/zinc/64/56/10/1104645610.db2.gz MLNXBIGTRXLEGV-RTBURBONSA-N 3 1 313.489 3.088 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647428 1104645851 /nfs/dbraw/zinc/64/58/51/1104645851.db2.gz SCAZMAHPPSXJCK-QFBILLFUSA-N 2 1 316.489 3.480 20 0 DGADMP Fc1ccc(N2CCC([N@@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246648978 1104646020 /nfs/dbraw/zinc/64/60/20/1104646020.db2.gz NVNMCUUYBDCCNO-IBGZPJMESA-N 2 1 317.452 3.013 20 0 DGADMP Fc1ccc(N2CCC([N@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246648978 1104646023 /nfs/dbraw/zinc/64/60/23/1104646023.db2.gz NVNMCUUYBDCCNO-IBGZPJMESA-N 2 1 317.452 3.013 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)CS2 ZINC001246649803 1104647235 /nfs/dbraw/zinc/64/72/35/1104647235.db2.gz FFQPGRZBZOUIJN-SJLPKXTDSA-N 2 1 302.487 3.312 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)CS2 ZINC001246649803 1104647238 /nfs/dbraw/zinc/64/72/38/1104647238.db2.gz FFQPGRZBZOUIJN-SJLPKXTDSA-N 2 1 302.487 3.312 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246652984 1104648891 /nfs/dbraw/zinc/64/88/91/1104648891.db2.gz BSBLRHSPGTXELM-TWMKSMIVSA-N 2 1 324.390 3.406 20 0 DGADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001246652985 1104648991 /nfs/dbraw/zinc/64/89/91/1104648991.db2.gz BSWFWVOSVZKLEJ-BPUTZDHNSA-N 2 1 312.379 3.010 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246653612 1104649016 /nfs/dbraw/zinc/64/90/16/1104649016.db2.gz IMDRFIJBZQQZBR-QRVBRYPASA-N 3 1 307.526 3.151 20 0 DGADMP CC(C)(C)N1CCC([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001246658668 1104650585 /nfs/dbraw/zinc/65/05/85/1104650585.db2.gz VGUBYFHZDYNTGU-GOSISDBHSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246661503 1104653033 /nfs/dbraw/zinc/65/30/33/1104653033.db2.gz RHWYUCNRKHZVDT-XTBFLFJDSA-N 2 1 323.278 3.192 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC001246661460 1104653349 /nfs/dbraw/zinc/65/33/49/1104653349.db2.gz XQTCYQVBWNAVPJ-YGHPHNMRSA-N 2 1 310.441 3.058 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246676881 1104657054 /nfs/dbraw/zinc/65/70/54/1104657054.db2.gz DLIMFXBIAXZMMB-NJAFHUGGSA-N 2 1 304.453 3.468 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246679324 1104658829 /nfs/dbraw/zinc/65/88/29/1104658829.db2.gz UMBHMKYVEVRMSV-WJFTUGDTSA-N 3 1 307.526 3.009 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246679590 1104659869 /nfs/dbraw/zinc/65/98/69/1104659869.db2.gz WCEMBKQQMBHWMH-WNRNVDISSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246680965 1104660275 /nfs/dbraw/zinc/66/02/75/1104660275.db2.gz YHOZDCMOQCMUCD-OLZOCXBDSA-N 2 1 310.894 3.362 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679826 1104660571 /nfs/dbraw/zinc/66/05/71/1104660571.db2.gz ZDKUAZPBSLBEMI-KBAYOESNSA-N 2 1 304.453 3.468 20 0 DGADMP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@@H]4CCCC5(CCCCC5)C4)C[C@H]13)O2 ZINC001246683295 1104660659 /nfs/dbraw/zinc/66/06/59/1104660659.db2.gz IILDREBRGYTONU-JRBPQWBISA-N 2 1 318.505 3.332 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246687944 1104661999 /nfs/dbraw/zinc/66/19/99/1104661999.db2.gz YKYFQYJYTASQNE-YSIASYRMSA-N 2 1 316.489 3.055 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001275168297 1104663428 /nfs/dbraw/zinc/66/34/28/1104663428.db2.gz KAIZJAMGFGSEQX-MSOLQXFVSA-N 2 1 308.510 3.247 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001275168297 1104663433 /nfs/dbraw/zinc/66/34/33/1104663433.db2.gz KAIZJAMGFGSEQX-MSOLQXFVSA-N 2 1 308.510 3.247 20 0 DGADMP C([C@@H]1CCOC1)[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001275172874 1104664286 /nfs/dbraw/zinc/66/42/86/1104664286.db2.gz XODLWFIOECIFDW-KRWDZBQOSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC001330871775 1104667765 /nfs/dbraw/zinc/66/77/65/1104667765.db2.gz GTHGTGWEERBMPW-KRWDZBQOSA-N 2 1 301.478 3.108 20 0 DGADMP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246768528 1104667780 /nfs/dbraw/zinc/66/77/80/1104667780.db2.gz FKVQFZVOZHADIZ-VQTJNVASSA-N 2 1 324.468 3.490 20 0 DGADMP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246768528 1104667783 /nfs/dbraw/zinc/66/77/83/1104667783.db2.gz FKVQFZVOZHADIZ-VQTJNVASSA-N 2 1 324.468 3.490 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779353 1104668579 /nfs/dbraw/zinc/66/85/79/1104668579.db2.gz ZPEBRPOUBRUBDD-QWHCGFSZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779353 1104668584 /nfs/dbraw/zinc/66/85/84/1104668584.db2.gz ZPEBRPOUBRUBDD-QWHCGFSZSA-N 2 1 311.267 3.051 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246781414 1104670858 /nfs/dbraw/zinc/67/08/58/1104670858.db2.gz FGQXEBFKBSODME-FAJBIJEISA-N 2 1 300.446 3.203 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246791480 1104677498 /nfs/dbraw/zinc/67/74/98/1104677498.db2.gz JJSOTDJNAGTVII-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246790881 1104677850 /nfs/dbraw/zinc/67/78/50/1104677850.db2.gz IEKKXLPBAYIFEZ-IAGOWNOFSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792925 1104678046 /nfs/dbraw/zinc/67/80/46/1104678046.db2.gz SITSKFQEJDOHLL-QYZOEREBSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246791037 1104678254 /nfs/dbraw/zinc/67/82/54/1104678254.db2.gz PQFSZXUZXMPLAT-OWCLPIDISA-N 2 1 324.509 3.207 20 0 DGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246795329 1104679593 /nfs/dbraw/zinc/67/95/93/1104679593.db2.gz DOUSRRXQZXRXMZ-AWEZNQCLSA-N 2 1 322.880 3.280 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246794947 1104679898 /nfs/dbraw/zinc/67/98/98/1104679898.db2.gz GNTCKMRJHOMEFD-ZMMAXQRCSA-N 2 1 317.477 3.234 20 0 DGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246795333 1104679929 /nfs/dbraw/zinc/67/99/29/1104679929.db2.gz DOUSRRXQZXRXMZ-CQSZACIVSA-N 2 1 322.880 3.280 20 0 DGADMP c1ccc([C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)CCO2)cc1 ZINC001246798709 1104681105 /nfs/dbraw/zinc/68/11/05/1104681105.db2.gz QTBOTABUWIOYKP-IOJLRTSASA-N 2 1 314.473 3.372 20 0 DGADMP CC[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246803961 1104681964 /nfs/dbraw/zinc/68/19/64/1104681964.db2.gz OQWIYDGSOUUESL-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246812921 1104687176 /nfs/dbraw/zinc/68/71/76/1104687176.db2.gz FPTISMWMDVMUJS-RISCZKNCSA-N 2 1 313.272 3.392 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246813989 1104688136 /nfs/dbraw/zinc/68/81/36/1104688136.db2.gz NKGGLOVPSLEPKL-VXGBXAGGSA-N 2 1 316.823 3.481 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246814682 1104688243 /nfs/dbraw/zinc/68/82/43/1104688243.db2.gz RFCJUTDBZRQLGX-SJLPKXTDSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246819004 1104690465 /nfs/dbraw/zinc/69/04/65/1104690465.db2.gz DPSYVGXZJMPTBY-BHIYHBOVSA-N 2 1 315.505 3.241 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN[C@H](c2ccccc2)C1 ZINC001246822518 1104691371 /nfs/dbraw/zinc/69/13/71/1104691371.db2.gz BLUWHKACSVAEQX-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246822518 1104691375 /nfs/dbraw/zinc/69/13/75/1104691375.db2.gz BLUWHKACSVAEQX-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246822988 1104693372 /nfs/dbraw/zinc/69/33/72/1104693372.db2.gz CIIQRJWQWHTNAA-ZIFCJYIRSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841974 1104700622 /nfs/dbraw/zinc/70/06/22/1104700622.db2.gz SEWXNFZKSRGYQK-CRAIPNDOSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841974 1104700627 /nfs/dbraw/zinc/70/06/27/1104700627.db2.gz SEWXNFZKSRGYQK-CRAIPNDOSA-N 2 1 320.477 3.302 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246841316 1104701658 /nfs/dbraw/zinc/70/16/58/1104701658.db2.gz AQWKLEAYXQEFJL-OKZBNKHCSA-N 2 1 302.462 3.225 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246842436 1104702933 /nfs/dbraw/zinc/70/29/33/1104702933.db2.gz RZUDGLJWRMYTEK-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001246846602 1104705931 /nfs/dbraw/zinc/70/59/31/1104705931.db2.gz OYRLGKFOCJNWFR-JKSUJKDBSA-N 2 1 323.278 3.120 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246849871 1104707826 /nfs/dbraw/zinc/70/78/26/1104707826.db2.gz GKLRCCHZPANMMH-YQYZPQCESA-N 2 1 320.864 3.181 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246849282 1104707894 /nfs/dbraw/zinc/70/78/94/1104707894.db2.gz ZKWGRVRADKILSP-MCIONIFRSA-N 2 1 310.894 3.362 20 0 DGADMP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246854202 1104708901 /nfs/dbraw/zinc/70/89/01/1104708901.db2.gz NNGAMAMVTBNDSZ-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CCCCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856004 1104708996 /nfs/dbraw/zinc/70/89/96/1104708996.db2.gz RQCULNOOULTYMX-ZHALLVOQSA-N 2 1 324.509 3.210 20 0 DGADMP CCN([C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246853314 1104709544 /nfs/dbraw/zinc/70/95/44/1104709544.db2.gz UWBBQDBXDFUHBS-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865690 1104712109 /nfs/dbraw/zinc/71/21/09/1104712109.db2.gz WKJWIILNNVHYSD-VXGBXAGGSA-N 2 1 316.823 3.481 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865690 1104712117 /nfs/dbraw/zinc/71/21/17/1104712117.db2.gz WKJWIILNNVHYSD-VXGBXAGGSA-N 2 1 316.823 3.481 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)CCc2ccc(Cl)cc21 ZINC001246869526 1104713984 /nfs/dbraw/zinc/71/39/84/1104713984.db2.gz IFJKEWCGRKQZDQ-WFASDCNBSA-N 2 1 322.905 3.149 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CC1 ZINC001246867787 1104714951 /nfs/dbraw/zinc/71/49/51/1104714951.db2.gz JFCACEHXHFPCAT-VJFUWPCTSA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@H](C)[NH2+]C[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246874932 1104716565 /nfs/dbraw/zinc/71/65/65/1104716565.db2.gz UUVDVPSCHOJPQX-JNIAIEOXSA-N 2 1 315.505 3.110 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246873758 1104717139 /nfs/dbraw/zinc/71/71/39/1104717139.db2.gz ALFJEKSGNGMOAQ-MSOLQXFVSA-N 2 1 314.473 3.407 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)cc1 ZINC001246878691 1104717583 /nfs/dbraw/zinc/71/75/83/1104717583.db2.gz AFMPEQQTTFDRDH-UKBAYJJMSA-N 2 1 316.489 3.479 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246880129 1104719456 /nfs/dbraw/zinc/71/94/56/1104719456.db2.gz QQNDFPQQJULWOT-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246881261 1104719532 /nfs/dbraw/zinc/71/95/32/1104719532.db2.gz LWQGDXIPZIOBCM-VVLHAWIVSA-N 2 1 324.509 3.492 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001246882219 1104720303 /nfs/dbraw/zinc/72/03/03/1104720303.db2.gz LOHZABWYMDXPAQ-LMDPOFIKSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H](Cc1ccccc1F)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882265 1104721163 /nfs/dbraw/zinc/72/11/63/1104721163.db2.gz YFDOOWGAIIYIDS-SCWSEQNSSA-N 2 1 324.443 3.230 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246884060 1104721805 /nfs/dbraw/zinc/72/18/05/1104721805.db2.gz SEQQJIXMLFPREZ-QZTJIDSGSA-N 2 1 316.489 3.480 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904450 1104730073 /nfs/dbraw/zinc/73/00/73/1104730073.db2.gz GAHNVXCWFMTGPK-IRXDYDNUSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904450 1104730082 /nfs/dbraw/zinc/73/00/82/1104730082.db2.gz GAHNVXCWFMTGPK-IRXDYDNUSA-N 2 1 302.462 3.364 20 0 DGADMP Cc1cnc(Cl)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001275339818 1104730180 /nfs/dbraw/zinc/73/01/80/1104730180.db2.gz JNBSWTFRGLSIPF-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246912749 1104733717 /nfs/dbraw/zinc/73/37/17/1104733717.db2.gz VIYMUABDLMQGNU-HGVRWNOSSA-N 3 1 313.489 3.042 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246916756 1104735611 /nfs/dbraw/zinc/73/56/11/1104735611.db2.gz PUKFDBPMNFUVGO-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246925639 1104740116 /nfs/dbraw/zinc/74/01/16/1104740116.db2.gz ZHZFABDFVRUSDO-MJGOQNOKSA-N 2 1 304.478 3.336 20 0 DGADMP COCC[N@H+]([C@@H](C)CCc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC001246928318 1104740765 /nfs/dbraw/zinc/74/07/65/1104740765.db2.gz KANWFIMNEMDBRQ-HKUYNNGSSA-N 2 1 304.478 3.017 20 0 DGADMP COCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC001246928318 1104740770 /nfs/dbraw/zinc/74/07/70/1104740770.db2.gz KANWFIMNEMDBRQ-HKUYNNGSSA-N 2 1 304.478 3.017 20 0 DGADMP COCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246930231 1104741198 /nfs/dbraw/zinc/74/11/98/1104741198.db2.gz SVBKOZCSSVUPNT-XUVXKRRUSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246930231 1104741203 /nfs/dbraw/zinc/74/12/03/1104741203.db2.gz SVBKOZCSSVUPNT-XUVXKRRUSA-N 2 1 316.489 3.413 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930315 1104741315 /nfs/dbraw/zinc/74/13/15/1104741315.db2.gz IVLGUYBRWSBZBT-JZXOWHBKSA-N 2 1 304.865 3.129 20 0 DGADMP COC1CCC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246932939 1104742110 /nfs/dbraw/zinc/74/21/10/1104742110.db2.gz DNFQYIHJCORBOA-JLAWEPINSA-N 2 1 320.452 3.337 20 0 DGADMP COC1CCC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246932939 1104742112 /nfs/dbraw/zinc/74/21/12/1104742112.db2.gz DNFQYIHJCORBOA-JLAWEPINSA-N 2 1 320.452 3.337 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935458 1104742837 /nfs/dbraw/zinc/74/28/37/1104742837.db2.gz FGFCANFHPNFHFQ-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP CCCN([C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246941416 1104745650 /nfs/dbraw/zinc/74/56/50/1104745650.db2.gz KOVBVLUMZCNVPY-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246946526 1104746779 /nfs/dbraw/zinc/74/67/79/1104746779.db2.gz QPBFOQLYBCYUDU-BZSNNMDCSA-N 2 1 314.473 3.358 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CCC2 ZINC001246943411 1104746995 /nfs/dbraw/zinc/74/69/95/1104746995.db2.gz BTIPUADXMVFPRH-ICSRJNTNSA-N 2 1 314.473 3.366 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001275401320 1104747283 /nfs/dbraw/zinc/74/72/83/1104747283.db2.gz LXHIZOCTOVXKOG-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001275401320 1104747289 /nfs/dbraw/zinc/74/72/89/1104747289.db2.gz LXHIZOCTOVXKOG-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001275401320 1104747296 /nfs/dbraw/zinc/74/72/96/1104747296.db2.gz LXHIZOCTOVXKOG-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP C1CC2(C[NH2+]1)CCC([N@H+]1CCOC[C@@H]1C1CCCCC1)CC2 ZINC001246946630 1104747492 /nfs/dbraw/zinc/74/74/92/1104747492.db2.gz REQIVZIGUASSCU-JLAWEPINSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948421 1104748680 /nfs/dbraw/zinc/74/86/80/1104748680.db2.gz QBIJFKOEHYKDOR-MQBJUPHKSA-N 2 1 314.807 3.089 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949556 1104750212 /nfs/dbraw/zinc/75/02/12/1104750212.db2.gz UHHOLHDEHZBTIQ-ARLBYUKCSA-N 2 1 308.491 3.220 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C[C@@H]1C ZINC001246953178 1104751140 /nfs/dbraw/zinc/75/11/40/1104751140.db2.gz MJZVMUVPAWSEJV-GJYPPUQNSA-N 2 1 301.478 3.460 20 0 DGADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC001246961968 1104752463 /nfs/dbraw/zinc/75/24/63/1104752463.db2.gz CIIQRJWQWHTNAA-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246966596 1104753785 /nfs/dbraw/zinc/75/37/85/1104753785.db2.gz KQYYATYZESCREQ-MISYRCLQSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CSC3(C[NH2+]C3)C2)c1C ZINC001246966649 1104754342 /nfs/dbraw/zinc/75/43/42/1104754342.db2.gz LQPBLOPAAOUZHC-KRWDZBQOSA-N 2 1 302.487 3.115 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973693 1104756665 /nfs/dbraw/zinc/75/66/65/1104756665.db2.gz PIKZBFGHYJXRQO-WMLDXEAASA-N 2 1 302.437 3.147 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246975794 1104758831 /nfs/dbraw/zinc/75/88/31/1104758831.db2.gz OXLRMYBGMVNOJF-NOXHYTERSA-N 2 1 310.894 3.490 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246977018 1104759688 /nfs/dbraw/zinc/75/96/88/1104759688.db2.gz RGWCCUDZJXVOOT-CZUORRHYSA-N 2 1 308.416 3.144 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246977020 1104759997 /nfs/dbraw/zinc/75/99/97/1104759997.db2.gz RHUCNNSTQAJECW-JMGFVUJMSA-N 2 1 323.278 3.049 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@H]12 ZINC001246978157 1104760047 /nfs/dbraw/zinc/76/00/47/1104760047.db2.gz UPNALAJCCVHIDV-FGFMIUBDSA-N 2 1 310.485 3.482 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246976946 1104760160 /nfs/dbraw/zinc/76/01/60/1104760160.db2.gz GMJHJLZVPKQGGP-YJBOKZPZSA-N 2 1 318.461 3.404 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH2+]CC2)c1 ZINC001246977144 1104760311 /nfs/dbraw/zinc/76/03/11/1104760311.db2.gz ZLWGKAXERBXKPJ-VAMGGRTRSA-N 3 1 315.505 3.209 20 0 DGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246980232 1104760996 /nfs/dbraw/zinc/76/09/96/1104760996.db2.gz QRHGMSAXLRRUBO-QZTJIDSGSA-N 2 1 316.514 3.179 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246980286 1104761225 /nfs/dbraw/zinc/76/12/25/1104761225.db2.gz RFRUAYJGGSFKCM-FUHWJXTLSA-N 2 1 318.436 3.201 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275443907 1104761957 /nfs/dbraw/zinc/76/19/57/1104761957.db2.gz OECVWFFNWZCRSN-LJQANCHMSA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275443907 1104761961 /nfs/dbraw/zinc/76/19/61/1104761961.db2.gz OECVWFFNWZCRSN-LJQANCHMSA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275443907 1104761967 /nfs/dbraw/zinc/76/19/67/1104761967.db2.gz OECVWFFNWZCRSN-LJQANCHMSA-N 2 1 301.478 3.060 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C[C@H]1C ZINC001246985114 1104763425 /nfs/dbraw/zinc/76/34/25/1104763425.db2.gz AYSPRLPJVPIXEZ-WKULXVSPSA-N 2 1 324.509 3.207 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246997444 1104769336 /nfs/dbraw/zinc/76/93/36/1104769336.db2.gz VPGYJBKAXQYFSW-SJORKVTESA-N 2 1 316.445 3.141 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996971 1104769508 /nfs/dbraw/zinc/76/95/08/1104769508.db2.gz JEOBCQGQFWBFGQ-QMTMVMCOSA-N 2 1 302.437 3.246 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246996680 1104769634 /nfs/dbraw/zinc/76/96/34/1104769634.db2.gz IFRJMSVCOHASJZ-UIVXKWKOSA-N 2 1 314.448 3.104 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@H]3CCC4(C[NH2+]C4)C3)CC[C@H]1N2 ZINC001246998529 1104770194 /nfs/dbraw/zinc/77/01/94/1104770194.db2.gz COKJPTAYIJMWEB-JLJPHGGASA-N 2 1 317.864 3.066 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247000991 1104771478 /nfs/dbraw/zinc/77/14/78/1104771478.db2.gz YQZKJIGCRGVGNK-NARAOEGZSA-N 2 1 314.448 3.389 20 0 DGADMP C[C@@H]1C(=O)CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001412 1104771717 /nfs/dbraw/zinc/77/17/17/1104771717.db2.gz IJZZADVBDUCGDL-BFYDXBDKSA-N 2 1 306.494 3.377 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001412 1104771720 /nfs/dbraw/zinc/77/17/20/1104771720.db2.gz IJZZADVBDUCGDL-BFYDXBDKSA-N 2 1 306.494 3.377 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006606 1104774097 /nfs/dbraw/zinc/77/40/97/1104774097.db2.gz VGAVTRILPUKRIZ-AAYRVOQFSA-N 2 1 319.880 3.452 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006606 1104774102 /nfs/dbraw/zinc/77/41/02/1104774102.db2.gz VGAVTRILPUKRIZ-AAYRVOQFSA-N 2 1 319.880 3.452 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008921 1104775609 /nfs/dbraw/zinc/77/56/09/1104775609.db2.gz ZJMHZRFAZGDSTL-DEICHXMPSA-N 2 1 319.880 3.454 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008921 1104775613 /nfs/dbraw/zinc/77/56/13/1104775613.db2.gz ZJMHZRFAZGDSTL-DEICHXMPSA-N 2 1 319.880 3.454 20 0 DGADMP c1ccc(OC2CCC([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247014535 1104778268 /nfs/dbraw/zinc/77/82/68/1104778268.db2.gz KQDFGBZOVBZGFX-OYGLOCFBSA-N 2 1 314.473 3.451 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247014535 1104778275 /nfs/dbraw/zinc/77/82/75/1104778275.db2.gz KQDFGBZOVBZGFX-OYGLOCFBSA-N 2 1 314.473 3.451 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247015877 1104780406 /nfs/dbraw/zinc/78/04/06/1104780406.db2.gz QTMTVWVGJDRBJL-VKJFTORMSA-N 2 1 304.865 3.271 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275841388 1104929070 /nfs/dbraw/zinc/92/90/70/1104929070.db2.gz RJFRQPPESUZPLE-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275841388 1104929071 /nfs/dbraw/zinc/92/90/71/1104929071.db2.gz RJFRQPPESUZPLE-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275841388 1104929076 /nfs/dbraw/zinc/92/90/76/1104929076.db2.gz RJFRQPPESUZPLE-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001275841388 1104929077 /nfs/dbraw/zinc/92/90/77/1104929077.db2.gz RJFRQPPESUZPLE-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP c1cnnc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001275877414 1104941309 /nfs/dbraw/zinc/94/13/09/1104941309.db2.gz BMRSQQHMWOJQML-UHFFFAOYSA-N 2 1 314.477 3.097 20 0 DGADMP c1cc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)cnn1 ZINC001275882197 1104943156 /nfs/dbraw/zinc/94/31/56/1104943156.db2.gz KGYBVOVIRUNPHU-UHFFFAOYSA-N 2 1 314.477 3.097 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1-c1cncnc1)C2 ZINC001275894408 1104948069 /nfs/dbraw/zinc/94/80/69/1104948069.db2.gz JSKPXDQPDOTPDC-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001275894408 1104948072 /nfs/dbraw/zinc/94/80/72/1104948072.db2.gz JSKPXDQPDOTPDC-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001275894408 1104948077 /nfs/dbraw/zinc/94/80/77/1104948077.db2.gz JSKPXDQPDOTPDC-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCCN(Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001275984394 1104978199 /nfs/dbraw/zinc/97/81/99/1104978199.db2.gz MOUOHDSMXKBQGO-LJQANCHMSA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001275984394 1104978211 /nfs/dbraw/zinc/97/82/11/1104978211.db2.gz MOUOHDSMXKBQGO-LJQANCHMSA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001275984394 1104978216 /nfs/dbraw/zinc/97/82/16/1104978216.db2.gz MOUOHDSMXKBQGO-LJQANCHMSA-N 2 1 313.445 3.181 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276032189 1104992131 /nfs/dbraw/zinc/99/21/31/1104992131.db2.gz MOMKTTYKSDLKGX-DLBZAZTESA-N 2 1 301.478 3.349 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3C[C@@H]3C)C[C@H]2CC1 ZINC001276032913 1104992291 /nfs/dbraw/zinc/99/22/91/1104992291.db2.gz QOHCWVWGISUVPI-QMCVQRASSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@@H]3C)C[C@H]2CC1 ZINC001276032913 1104992294 /nfs/dbraw/zinc/99/22/94/1104992294.db2.gz QOHCWVWGISUVPI-QMCVQRASSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@@H]3C)C[C@H]2CC1 ZINC001276032913 1104992300 /nfs/dbraw/zinc/99/23/00/1104992300.db2.gz QOHCWVWGISUVPI-QMCVQRASSA-N 2 1 319.518 3.251 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(F)c1 ZINC001276132353 1105026878 /nfs/dbraw/zinc/02/68/78/1105026878.db2.gz OZJGKRMQGWMCFQ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(F)c1 ZINC001276132353 1105026885 /nfs/dbraw/zinc/02/68/85/1105026885.db2.gz OZJGKRMQGWMCFQ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC001276156692 1105033749 /nfs/dbraw/zinc/03/37/49/1105033749.db2.gz YAHZJUWWMNRQGY-AGUYFDCRSA-N 2 1 314.351 3.300 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC001276156692 1105033756 /nfs/dbraw/zinc/03/37/56/1105033756.db2.gz YAHZJUWWMNRQGY-AGUYFDCRSA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174365 1105037016 /nfs/dbraw/zinc/03/70/16/1105037016.db2.gz MKWWPPTXXNDQSI-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174365 1105037022 /nfs/dbraw/zinc/03/70/22/1105037022.db2.gz MKWWPPTXXNDQSI-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174365 1105037027 /nfs/dbraw/zinc/03/70/27/1105037027.db2.gz MKWWPPTXXNDQSI-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(-c3ncccn3)c1)C2 ZINC001276174365 1105037033 /nfs/dbraw/zinc/03/70/33/1105037033.db2.gz MKWWPPTXXNDQSI-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000719951436 1105044861 /nfs/dbraw/zinc/04/48/61/1105044861.db2.gz AGMWPIZLMURXEW-UFYCRDLUSA-N 2 1 315.505 3.100 20 0 DGADMP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276198089 1105045918 /nfs/dbraw/zinc/04/59/18/1105045918.db2.gz VJXDREUIEXFLEY-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276198089 1105045925 /nfs/dbraw/zinc/04/59/25/1105045925.db2.gz VJXDREUIEXFLEY-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276198089 1105045928 /nfs/dbraw/zinc/04/59/28/1105045928.db2.gz VJXDREUIEXFLEY-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP c1ccc2[nH]c(C[NH+]3CCC4(C[NH+](C5CCCC5)C4)CC3)nc2c1 ZINC001276216046 1105050637 /nfs/dbraw/zinc/05/06/37/1105050637.db2.gz XASHHRRAIMXKCG-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP Cc1ncoc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276215401 1105051307 /nfs/dbraw/zinc/05/13/07/1105051307.db2.gz GAFGLXOYRFNSDW-UHFFFAOYSA-N 2 1 303.450 3.214 20 0 DGADMP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276257515 1105064714 /nfs/dbraw/zinc/06/47/14/1105064714.db2.gz JORJBWGVSBPVNM-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276257515 1105064718 /nfs/dbraw/zinc/06/47/18/1105064718.db2.gz JORJBWGVSBPVNM-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276257515 1105064723 /nfs/dbraw/zinc/06/47/23/1105064723.db2.gz JORJBWGVSBPVNM-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cn1ccc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001276272916 1105070861 /nfs/dbraw/zinc/07/08/61/1105070861.db2.gz IKKLGSFSUXQQFR-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3cnc4ccccc4c3Cl)C2)CC1 ZINC001248813563 1105167897 /nfs/dbraw/zinc/16/78/97/1105167897.db2.gz BVCLZQZPQZSKAJ-UHFFFAOYSA-N 2 1 315.848 3.416 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001206573187 1105427958 /nfs/dbraw/zinc/42/79/58/1105427958.db2.gz JISINPFXVAFZPN-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP Cc1ccc2ncc(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)n2c1 ZINC001137309097 1105475992 /nfs/dbraw/zinc/47/59/92/1105475992.db2.gz ZFRQYEGYNSQHME-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP c1cc(C2([NH+]3CCOCC3)CC2)ccc1CC[NH+]1CCCCC1 ZINC001250242166 1105478252 /nfs/dbraw/zinc/47/82/52/1105478252.db2.gz RFSLVLXKRLDJGY-UHFFFAOYSA-N 2 1 314.473 3.036 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H](O)c1ccccc1 ZINC001251992607 1105721284 /nfs/dbraw/zinc/72/12/84/1105721284.db2.gz ZFGLNSYKPGMJDU-FHWLQOOXSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001251992607 1105721288 /nfs/dbraw/zinc/72/12/88/1105721288.db2.gz ZFGLNSYKPGMJDU-FHWLQOOXSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccccc1 ZINC001251992607 1105721292 /nfs/dbraw/zinc/72/12/92/1105721292.db2.gz ZFGLNSYKPGMJDU-FHWLQOOXSA-N 2 1 302.462 3.059 20 0 DGADMP CCCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252088358 1105736283 /nfs/dbraw/zinc/73/62/83/1105736283.db2.gz LCMMNRGJOPLHAO-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252088358 1105736286 /nfs/dbraw/zinc/73/62/86/1105736286.db2.gz LCMMNRGJOPLHAO-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252088358 1105736290 /nfs/dbraw/zinc/73/62/90/1105736290.db2.gz LCMMNRGJOPLHAO-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001255965384 1105737911 /nfs/dbraw/zinc/73/79/11/1105737911.db2.gz FOUNHYVRRYPQHH-JKSUJKDBSA-N 2 1 312.498 3.303 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001252120327 1105743384 /nfs/dbraw/zinc/74/33/84/1105743384.db2.gz SVAFLRRPHZLBJV-YTQUADARSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC(C)(C)O)C[C@@H]21 ZINC001252351553 1105770015 /nfs/dbraw/zinc/77/00/15/1105770015.db2.gz HLORGMFQCNIQPB-HYVNUMGLSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC(C)(C)O)C[C@@H]21 ZINC001252351553 1105770018 /nfs/dbraw/zinc/77/00/18/1105770018.db2.gz HLORGMFQCNIQPB-HYVNUMGLSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC(C)(C)O)C[C@@H]21 ZINC001252351553 1105770022 /nfs/dbraw/zinc/77/00/22/1105770022.db2.gz HLORGMFQCNIQPB-HYVNUMGLSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945390 1105857707 /nfs/dbraw/zinc/85/77/07/1105857707.db2.gz CINFDPHHBQGPSG-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945390 1105857713 /nfs/dbraw/zinc/85/77/13/1105857713.db2.gz CINFDPHHBQGPSG-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001253195132 1105901071 /nfs/dbraw/zinc/90/10/71/1105901071.db2.gz NUADENNQLVXCTJ-DOTOQJQBSA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1SC ZINC001253195132 1105901074 /nfs/dbraw/zinc/90/10/74/1105901074.db2.gz NUADENNQLVXCTJ-DOTOQJQBSA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC001253207937 1105903794 /nfs/dbraw/zinc/90/37/94/1105903794.db2.gz LHUDEKZBOTUPGX-SFHVURJKSA-N 2 1 304.478 3.138 20 0 DGADMP C[N@@H+](Cc1cccc2ccccc21)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253390728 1105933651 /nfs/dbraw/zinc/93/36/51/1105933651.db2.gz AEPBVTIXLYHBJK-QGZVFWFLSA-N 2 1 300.446 3.021 20 0 DGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253390728 1105933656 /nfs/dbraw/zinc/93/36/56/1105933656.db2.gz AEPBVTIXLYHBJK-QGZVFWFLSA-N 2 1 300.446 3.021 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001253392044 1105934017 /nfs/dbraw/zinc/93/40/17/1105934017.db2.gz FKPZWVDDGBKSMC-QGZVFWFLSA-N 2 1 322.569 3.115 20 0 DGADMP Cc1cccc(C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2CC2)c1C ZINC001253397188 1105934503 /nfs/dbraw/zinc/93/45/03/1105934503.db2.gz LSXSFBOQEQDOGK-GOSISDBHSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1cccc(C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2CC2)c1C ZINC001253397188 1105934509 /nfs/dbraw/zinc/93/45/09/1105934509.db2.gz LSXSFBOQEQDOGK-GOSISDBHSA-N 2 1 304.478 3.017 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001253404661 1105935211 /nfs/dbraw/zinc/93/52/11/1105935211.db2.gz BUYLIEOYMBLXOH-FZMZJTMJSA-N 2 1 318.383 3.105 20 0 DGADMP C[N@H+](C1CCOCC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254225167 1106039371 /nfs/dbraw/zinc/03/93/71/1106039371.db2.gz KKGKSYNFDMEJFC-UHFFFAOYSA-N 2 1 316.436 3.140 20 0 DGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254225167 1106039378 /nfs/dbraw/zinc/03/93/78/1106039378.db2.gz KKGKSYNFDMEJFC-UHFFFAOYSA-N 2 1 316.436 3.140 20 0 DGADMP CC(C)(C)OC(=O)C1([NH2+]C2CCC3(CC3)CC2)CCC([NH3+])CC1 ZINC001254433269 1106069320 /nfs/dbraw/zinc/06/93/20/1106069320.db2.gz ITAHXQZQHWOMQZ-UHFFFAOYSA-N 2 1 322.493 3.281 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC001254496956 1106081828 /nfs/dbraw/zinc/08/18/28/1106081828.db2.gz BDHCMWFNUWILFH-CQSZACIVSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC001254496956 1106081835 /nfs/dbraw/zinc/08/18/35/1106081835.db2.gz BDHCMWFNUWILFH-CQSZACIVSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC001254506445 1106086020 /nfs/dbraw/zinc/08/60/20/1106086020.db2.gz SGAQHWKFYPODAS-QYZOEREBSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@H+]1CCC[C@H](Nc2ccc(C[NH3+])c(C(F)(F)F)c2)CC1 ZINC001254508181 1106086398 /nfs/dbraw/zinc/08/63/98/1106086398.db2.gz HUELBGZYNPNERH-LBPRGKRZSA-N 2 1 301.356 3.060 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC(F)(F)CC1 ZINC001254511887 1106086745 /nfs/dbraw/zinc/08/67/45/1106086745.db2.gz GWNUGBXTFVHPKJ-OAHLLOKOSA-N 2 1 318.452 3.293 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC001254508231 1106087269 /nfs/dbraw/zinc/08/72/69/1106087269.db2.gz PMPNRBFYSGKHNC-AWEZNQCLSA-N 2 1 300.368 3.322 20 0 DGADMP COc1cccc(CC2([NH2+][C@@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254512228 1106088814 /nfs/dbraw/zinc/08/88/14/1106088814.db2.gz LAAAIXFCLHKKBU-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(CC2([NH2+][C@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254512227 1106088936 /nfs/dbraw/zinc/08/89/36/1106088936.db2.gz LAAAIXFCLHKKBU-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@H+]1CCC[C@@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)CC1 ZINC001254525442 1106091712 /nfs/dbraw/zinc/09/17/12/1106091712.db2.gz IORIPYJEOSYSHV-CQSZACIVSA-N 2 1 301.409 3.083 20 0 DGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525725 1106091981 /nfs/dbraw/zinc/09/19/81/1106091981.db2.gz LKEISRRESBGBGS-LJQANCHMSA-N 2 1 314.473 3.094 20 0 DGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525725 1106091987 /nfs/dbraw/zinc/09/19/87/1106091987.db2.gz LKEISRRESBGBGS-LJQANCHMSA-N 2 1 314.473 3.094 20 0 DGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254531895 1106096025 /nfs/dbraw/zinc/09/60/25/1106096025.db2.gz MRAQUULSHHCQBP-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254531895 1106096030 /nfs/dbraw/zinc/09/60/30/1106096030.db2.gz MRAQUULSHHCQBP-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531895 1106096034 /nfs/dbraw/zinc/09/60/34/1106096034.db2.gz MRAQUULSHHCQBP-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CCC[NH+](C)CC1 ZINC001254532846 1106096373 /nfs/dbraw/zinc/09/63/73/1106096373.db2.gz YDOCGTORHYTRMQ-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1CCC[N@H+](C)CC1 ZINC001254532846 1106096378 /nfs/dbraw/zinc/09/63/78/1106096378.db2.gz YDOCGTORHYTRMQ-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1CCC[N@@H+](C)CC1 ZINC001254532846 1106096382 /nfs/dbraw/zinc/09/63/82/1106096382.db2.gz YDOCGTORHYTRMQ-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254612496 1106113428 /nfs/dbraw/zinc/11/34/28/1106113428.db2.gz HWBATJFHXOURRT-INIZCTEOSA-N 2 1 319.468 3.116 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956943 1106159840 /nfs/dbraw/zinc/15/98/40/1106159840.db2.gz QGRDPSGYRAUAAB-IGKNDFSCSA-N 2 1 304.478 3.083 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956943 1106159844 /nfs/dbraw/zinc/15/98/44/1106159844.db2.gz QGRDPSGYRAUAAB-IGKNDFSCSA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956943 1106159849 /nfs/dbraw/zinc/15/98/49/1106159849.db2.gz QGRDPSGYRAUAAB-IGKNDFSCSA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254956943 1106159853 /nfs/dbraw/zinc/15/98/53/1106159853.db2.gz QGRDPSGYRAUAAB-IGKNDFSCSA-N 2 1 304.478 3.083 20 0 DGADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCOCC2)CC1 ZINC001255034659 1106170796 /nfs/dbraw/zinc/17/07/96/1106170796.db2.gz VKSZOQUCAKRMNR-ZYKFHVCXSA-N 2 1 314.473 3.293 20 0 DGADMP CC(C)([NH3+])C(C)(C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128344 1106184689 /nfs/dbraw/zinc/18/46/89/1106184689.db2.gz BOZIRNWSGUDREK-BCDXTJNWSA-N 2 1 315.505 3.288 20 0 DGADMP COCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001255124757 1106184791 /nfs/dbraw/zinc/18/47/91/1106184791.db2.gz NUNAKCIMLXBNIT-LDLYASANSA-N 2 1 314.473 3.341 20 0 DGADMP COCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125223 1106185320 /nfs/dbraw/zinc/18/53/20/1106185320.db2.gz SMTGVMFERCBTSY-BCDXTJNWSA-N 2 1 302.462 3.197 20 0 DGADMP O[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135906 1106187378 /nfs/dbraw/zinc/18/73/78/1106187378.db2.gz GCYVCQKWYSEXHP-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135906 1106187379 /nfs/dbraw/zinc/18/73/79/1106187379.db2.gz GCYVCQKWYSEXHP-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135906 1106187380 /nfs/dbraw/zinc/18/73/80/1106187380.db2.gz GCYVCQKWYSEXHP-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255137693 1106187429 /nfs/dbraw/zinc/18/74/29/1106187429.db2.gz WBJMNIUXMBYQMX-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137693 1106187430 /nfs/dbraw/zinc/18/74/30/1106187430.db2.gz WBJMNIUXMBYQMX-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255137693 1106187431 /nfs/dbraw/zinc/18/74/31/1106187431.db2.gz WBJMNIUXMBYQMX-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001255137663 1106188465 /nfs/dbraw/zinc/18/84/65/1106188465.db2.gz ZXHAHWWSNHPRMD-YRPNKDGESA-N 2 1 314.473 3.341 20 0 DGADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCSC2)CC1 ZINC001255296317 1106217480 /nfs/dbraw/zinc/21/74/80/1106217480.db2.gz SDVNUHMAUPPLSQ-QGZVFWFLSA-N 2 1 308.466 3.227 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+]([C@H]2CCSC2)C3)cc1 ZINC001255294454 1106217607 /nfs/dbraw/zinc/21/76/07/1106217607.db2.gz OLFDOKDDAVWDBS-OALUTQOASA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+]([C@H]2CCSC2)C3)cc1 ZINC001255294454 1106217610 /nfs/dbraw/zinc/21/76/10/1106217610.db2.gz OLFDOKDDAVWDBS-OALUTQOASA-N 2 1 316.514 3.480 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350504 1106229524 /nfs/dbraw/zinc/22/95/24/1106229524.db2.gz UUHUIJCEGAIFGT-AHCXZYCDSA-N 2 1 322.493 3.233 20 0 DGADMP c1csc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255382216 1106236373 /nfs/dbraw/zinc/23/63/73/1106236373.db2.gz SXSJFEKVMGAVGT-KRWDZBQOSA-N 2 1 315.486 3.330 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCc3ccncc3)CC2)cc1 ZINC001255380045 1106236958 /nfs/dbraw/zinc/23/69/58/1106236958.db2.gz ZNFUZCBRTCWZIE-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP OC[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255382203 1106237015 /nfs/dbraw/zinc/23/70/15/1106237015.db2.gz SVOTXPBLPXGUIY-LEWJYISDSA-N 2 1 324.468 3.364 20 0 DGADMP OC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255382203 1106237018 /nfs/dbraw/zinc/23/70/18/1106237018.db2.gz SVOTXPBLPXGUIY-LEWJYISDSA-N 2 1 324.468 3.364 20 0 DGADMP Fc1cncc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255385325 1106237880 /nfs/dbraw/zinc/23/78/80/1106237880.db2.gz GOANVWDKHWFXOX-LJQANCHMSA-N 2 1 313.420 3.365 20 0 DGADMP Fc1cncc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255385325 1106237883 /nfs/dbraw/zinc/23/78/83/1106237883.db2.gz GOANVWDKHWFXOX-LJQANCHMSA-N 2 1 313.420 3.365 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC001255390586 1106239452 /nfs/dbraw/zinc/23/94/52/1106239452.db2.gz JDYXWANESPDMJD-ZWKOTPCHSA-N 2 1 302.462 3.198 20 0 DGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255389682 1106239600 /nfs/dbraw/zinc/23/96/00/1106239600.db2.gz PZWTYKILLDLTRD-XUVXKRRUSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOC1 ZINC001255394068 1106240946 /nfs/dbraw/zinc/24/09/46/1106240946.db2.gz VZNDBHHNEDFIGE-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394625 1106240995 /nfs/dbraw/zinc/24/09/95/1106240995.db2.gz WPBUTXZPNVNPEM-VQIMIIECSA-N 2 1 312.461 3.125 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394625 1106240999 /nfs/dbraw/zinc/24/09/99/1106240999.db2.gz WPBUTXZPNVNPEM-VQIMIIECSA-N 2 1 312.461 3.125 20 0 DGADMP C[N@@H+](C1CCOCC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255397312 1106241057 /nfs/dbraw/zinc/24/10/57/1106241057.db2.gz FEBBMQQKFVOJJZ-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+](C1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397312 1106241062 /nfs/dbraw/zinc/24/10/62/1106241062.db2.gz FEBBMQQKFVOJJZ-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+](C1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397312 1106241068 /nfs/dbraw/zinc/24/10/68/1106241068.db2.gz FEBBMQQKFVOJJZ-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398319 1106242979 /nfs/dbraw/zinc/24/29/79/1106242979.db2.gz JNSWTVASMAWJQM-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398319 1106242982 /nfs/dbraw/zinc/24/29/82/1106242982.db2.gz JNSWTVASMAWJQM-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398319 1106242987 /nfs/dbraw/zinc/24/29/87/1106242987.db2.gz JNSWTVASMAWJQM-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001255399255 1106243401 /nfs/dbraw/zinc/24/34/01/1106243401.db2.gz PNOHZTIJKHSFKL-PKOBYXMFSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399255 1106243405 /nfs/dbraw/zinc/24/34/05/1106243405.db2.gz PNOHZTIJKHSFKL-PKOBYXMFSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399255 1106243408 /nfs/dbraw/zinc/24/34/08/1106243408.db2.gz PNOHZTIJKHSFKL-PKOBYXMFSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+](C)C1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399578 1106244687 /nfs/dbraw/zinc/24/46/87/1106244687.db2.gz VKFUGSBIECZDFU-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001255401516 1106244705 /nfs/dbraw/zinc/24/47/05/1106244705.db2.gz WDDDRIRFNVCRNN-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001255401516 1106244707 /nfs/dbraw/zinc/24/47/07/1106244707.db2.gz WDDDRIRFNVCRNN-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001255401516 1106244711 /nfs/dbraw/zinc/24/47/11/1106244711.db2.gz WDDDRIRFNVCRNN-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255402028 1106244900 /nfs/dbraw/zinc/24/49/00/1106244900.db2.gz ZTBARXIRGCZUMH-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255402028 1106244902 /nfs/dbraw/zinc/24/49/02/1106244902.db2.gz ZTBARXIRGCZUMH-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402028 1106244906 /nfs/dbraw/zinc/24/49/06/1106244906.db2.gz ZTBARXIRGCZUMH-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401685 1106245028 /nfs/dbraw/zinc/24/50/28/1106245028.db2.gz WICDWIGLKCGIJX-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401685 1106245031 /nfs/dbraw/zinc/24/50/31/1106245031.db2.gz WICDWIGLKCGIJX-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401685 1106245034 /nfs/dbraw/zinc/24/50/34/1106245034.db2.gz WICDWIGLKCGIJX-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401685 1106245037 /nfs/dbraw/zinc/24/50/37/1106245037.db2.gz WICDWIGLKCGIJX-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](CC1(C)COC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406061 1106245903 /nfs/dbraw/zinc/24/59/03/1106245903.db2.gz OYQKISQHZFZQCQ-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CC1(C)COC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406061 1106245906 /nfs/dbraw/zinc/24/59/06/1106245906.db2.gz OYQKISQHZFZQCQ-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CC1(C)COC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255406061 1106245910 /nfs/dbraw/zinc/24/59/10/1106245910.db2.gz OYQKISQHZFZQCQ-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001255408589 1106246588 /nfs/dbraw/zinc/24/65/88/1106246588.db2.gz OFDBORDKPDEJQE-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001255408589 1106246591 /nfs/dbraw/zinc/24/65/91/1106246591.db2.gz OFDBORDKPDEJQE-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001255408589 1106246593 /nfs/dbraw/zinc/24/65/93/1106246593.db2.gz OFDBORDKPDEJQE-WOJBJXKFSA-N 2 1 314.473 3.296 20 0 DGADMP CC(=O)[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406824 1106246721 /nfs/dbraw/zinc/24/67/21/1106246721.db2.gz UMBMMGSKLDKXDM-PMACEKPBSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406824 1106246722 /nfs/dbraw/zinc/24/67/22/1106246722.db2.gz UMBMMGSKLDKXDM-PMACEKPBSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406824 1106246727 /nfs/dbraw/zinc/24/67/27/1106246727.db2.gz UMBMMGSKLDKXDM-PMACEKPBSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406824 1106246729 /nfs/dbraw/zinc/24/67/29/1106246729.db2.gz UMBMMGSKLDKXDM-PMACEKPBSA-N 2 1 314.473 3.342 20 0 DGADMP CC[N@H+]1CCN([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC001255414596 1106248121 /nfs/dbraw/zinc/24/81/21/1106248121.db2.gz ZYXVSAYVRMGZNK-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H]1C ZINC001255414596 1106248125 /nfs/dbraw/zinc/24/81/25/1106248125.db2.gz ZYXVSAYVRMGZNK-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255634504 1106281175 /nfs/dbraw/zinc/28/11/75/1106281175.db2.gz YGRKMQAGWQYREZ-UKRRQHHQSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255634502 1106281377 /nfs/dbraw/zinc/28/13/77/1106281377.db2.gz YGRKMQAGWQYREZ-HIFRSBDPSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@H](CC(F)(F)F)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001255652883 1106286267 /nfs/dbraw/zinc/28/62/67/1106286267.db2.gz VVAOCCLGMHHBBV-OLZOCXBDSA-N 2 1 322.415 3.339 20 0 DGADMP CC(C)C[N@H+](C1C[C@H]2CCC[C@@H](C1)N2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255672381 1106291609 /nfs/dbraw/zinc/29/16/09/1106291609.db2.gz DOPYVCZLQAAIOQ-WRHAJXQESA-N 2 1 307.526 3.230 20 0 DGADMP CC(C)C[N@@H+](C1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255672381 1106291612 /nfs/dbraw/zinc/29/16/12/1106291612.db2.gz DOPYVCZLQAAIOQ-WRHAJXQESA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[N@H+](C1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255672381 1106291614 /nfs/dbraw/zinc/29/16/14/1106291614.db2.gz DOPYVCZLQAAIOQ-WRHAJXQESA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[NH+](C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255672381 1106291618 /nfs/dbraw/zinc/29/16/18/1106291618.db2.gz DOPYVCZLQAAIOQ-WRHAJXQESA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[NH+](C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255672381 1106291620 /nfs/dbraw/zinc/29/16/20/1106291620.db2.gz DOPYVCZLQAAIOQ-WRHAJXQESA-N 3 1 307.526 3.230 20 0 DGADMP COc1cnccc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255677385 1106292482 /nfs/dbraw/zinc/29/24/82/1106292482.db2.gz SECGAWFPZQTAEQ-IHBAFOEMSA-N 2 1 315.461 3.146 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001255742993 1106306366 /nfs/dbraw/zinc/30/63/66/1106306366.db2.gz KOIGFNLCZMONRQ-KFWWJZLASA-N 2 1 308.466 3.190 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001255742993 1106306371 /nfs/dbraw/zinc/30/63/71/1106306371.db2.gz KOIGFNLCZMONRQ-KFWWJZLASA-N 2 1 308.466 3.190 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001255742993 1106306374 /nfs/dbraw/zinc/30/63/74/1106306374.db2.gz KOIGFNLCZMONRQ-KFWWJZLASA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CC(=O)OC)c1ccccc1 ZINC001255941611 1106345081 /nfs/dbraw/zinc/34/50/81/1106345081.db2.gz VEPIIHQUTSATMR-WBVHZDCISA-N 2 1 306.450 3.001 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001255943371 1106346571 /nfs/dbraw/zinc/34/65/71/1106346571.db2.gz LSMNYDOJFUEROD-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001255943371 1106346574 /nfs/dbraw/zinc/34/65/74/1106346574.db2.gz LSMNYDOJFUEROD-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(Cl)c(O)c(OC)c1 ZINC001255950712 1106348289 /nfs/dbraw/zinc/34/82/89/1106348289.db2.gz KDTDSAALCFNVBO-GFCCVEGCSA-N 2 1 314.857 3.264 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001255954018 1106349000 /nfs/dbraw/zinc/34/90/00/1106349000.db2.gz QXCWFFKCQKDALA-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC001255954018 1106349002 /nfs/dbraw/zinc/34/90/02/1106349002.db2.gz QXCWFFKCQKDALA-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001255954017 1106349158 /nfs/dbraw/zinc/34/91/58/1106349158.db2.gz QXCWFFKCQKDALA-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC001255954017 1106349162 /nfs/dbraw/zinc/34/91/62/1106349162.db2.gz QXCWFFKCQKDALA-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC001255964153 1106351194 /nfs/dbraw/zinc/35/11/94/1106351194.db2.gz PLQXMYBSZAIBAW-OAHLLOKOSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001255968801 1106351889 /nfs/dbraw/zinc/35/18/89/1106351889.db2.gz JDYNXUJZEZISRU-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001255968801 1106351892 /nfs/dbraw/zinc/35/18/92/1106351892.db2.gz JDYNXUJZEZISRU-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255966625 1106352060 /nfs/dbraw/zinc/35/20/60/1106352060.db2.gz LYQTUVOFJMSYMN-CVEARBPZSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255966625 1106352063 /nfs/dbraw/zinc/35/20/63/1106352063.db2.gz LYQTUVOFJMSYMN-CVEARBPZSA-N 2 1 322.497 3.493 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001255968695 1106352197 /nfs/dbraw/zinc/35/21/97/1106352197.db2.gz FSUISWCYUKENKY-YJBOKZPZSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001255968695 1106352199 /nfs/dbraw/zinc/35/21/99/1106352199.db2.gz FSUISWCYUKENKY-YJBOKZPZSA-N 2 1 308.441 3.399 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072445 1106364109 /nfs/dbraw/zinc/36/41/09/1106364109.db2.gz NNWJQIZTZWCAPA-UHFFFAOYSA-N 3 1 307.526 3.103 20 0 DGADMP COc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC001256071960 1106364340 /nfs/dbraw/zinc/36/43/40/1106364340.db2.gz FFYVWOBNPIYRIQ-UHFFFAOYSA-N 2 1 300.446 3.291 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC001256153200 1106379750 /nfs/dbraw/zinc/37/97/50/1106379750.db2.gz UUMGLBHIJOJCDY-NVXWUHKLSA-N 2 1 302.462 3.233 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC001256153200 1106379756 /nfs/dbraw/zinc/37/97/56/1106379756.db2.gz UUMGLBHIJOJCDY-NVXWUHKLSA-N 2 1 302.462 3.233 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@H](CCC[NH3+])C2)c1 ZINC001256156124 1106380415 /nfs/dbraw/zinc/38/04/15/1106380415.db2.gz LOVHDFGUILRUIN-IAGOWNOFSA-N 2 1 304.478 3.467 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@@H](CCC[NH3+])C2)c1 ZINC001256156126 1106380772 /nfs/dbraw/zinc/38/07/72/1106380772.db2.gz LOVHDFGUILRUIN-SJORKVTESA-N 2 1 304.478 3.467 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001256198036 1106389243 /nfs/dbraw/zinc/38/92/43/1106389243.db2.gz ZBEKQULTIVOMSR-UHFFFAOYSA-N 2 1 312.339 3.051 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](c2cncc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256199629 1106389527 /nfs/dbraw/zinc/38/95/27/1106389527.db2.gz SQMUGLXOKJPKRY-HNNXBMFYSA-N 2 1 313.367 3.235 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](c2ccncc2C(F)(F)F)C2CC2)CC1 ZINC001256199866 1106390090 /nfs/dbraw/zinc/39/00/90/1106390090.db2.gz XYBJLXWONHVUCZ-HNNXBMFYSA-N 2 1 313.367 3.235 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](c2ccnc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256199064 1106390162 /nfs/dbraw/zinc/39/01/62/1106390162.db2.gz GIWBPDXFXDMEOL-OAHLLOKOSA-N 2 1 313.367 3.235 20 0 DGADMP C[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001256202076 1106390369 /nfs/dbraw/zinc/39/03/69/1106390369.db2.gz WVFHLGMVUVWGBW-UHFFFAOYSA-N 2 1 308.853 3.030 20 0 DGADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001256207437 1106391168 /nfs/dbraw/zinc/39/11/68/1106391168.db2.gz JWEZMCNRNPEHFP-GOSISDBHSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCC([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001256207437 1106391171 /nfs/dbraw/zinc/39/11/71/1106391171.db2.gz JWEZMCNRNPEHFP-GOSISDBHSA-N 2 1 322.880 3.415 20 0 DGADMP C[C@H](Cc1ccccn1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256408005 1106416681 /nfs/dbraw/zinc/41/66/81/1106416681.db2.gz UHUCPUBQVNMPEL-MBOZVWFJSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001256418719 1106419381 /nfs/dbraw/zinc/41/93/81/1106419381.db2.gz YJFITFOREDBNGN-IEBWSBKVSA-N 2 1 301.478 3.353 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC001256521896 1106433649 /nfs/dbraw/zinc/43/36/49/1106433649.db2.gz AUQYIDCUELNDHF-PKOBYXMFSA-N 2 1 311.473 3.476 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC001256521896 1106433651 /nfs/dbraw/zinc/43/36/51/1106433651.db2.gz AUQYIDCUELNDHF-PKOBYXMFSA-N 2 1 311.473 3.476 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526834 1106434168 /nfs/dbraw/zinc/43/41/68/1106434168.db2.gz OTZVKZVBCHOELF-SJLPKXTDSA-N 2 1 320.452 3.148 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256526834 1106434171 /nfs/dbraw/zinc/43/41/71/1106434171.db2.gz OTZVKZVBCHOELF-SJLPKXTDSA-N 2 1 320.452 3.148 20 0 DGADMP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256526577 1106434373 /nfs/dbraw/zinc/43/43/73/1106434373.db2.gz MWXIEAQSDWQWDK-APWZRJJASA-N 2 1 322.456 3.440 20 0 DGADMP C[C@@H]1C[C@H](NC(C)(C)C(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529298 1106434601 /nfs/dbraw/zinc/43/46/01/1106434601.db2.gz SANWKZJRCLTZAW-NVXWUHKLSA-N 2 1 303.494 3.145 20 0 DGADMP C[C@@H]1C[C@H](Nc2ccc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC001256528831 1106434797 /nfs/dbraw/zinc/43/47/97/1106434797.db2.gz MHRCVLKEFVBFIY-NVXWUHKLSA-N 2 1 310.445 3.005 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256532281 1106435511 /nfs/dbraw/zinc/43/55/11/1106435511.db2.gz XCAYBMDVACWRSN-BHIYHBOVSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001256532281 1106435512 /nfs/dbraw/zinc/43/55/12/1106435512.db2.gz XCAYBMDVACWRSN-BHIYHBOVSA-N 2 1 314.473 3.198 20 0 DGADMP COC[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536835 1106436171 /nfs/dbraw/zinc/43/61/71/1106436171.db2.gz GJQJYZQLXFRUED-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536835 1106436173 /nfs/dbraw/zinc/43/61/73/1106436173.db2.gz GJQJYZQLXFRUED-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536835 1106436175 /nfs/dbraw/zinc/43/61/75/1106436175.db2.gz GJQJYZQLXFRUED-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536835 1106436176 /nfs/dbraw/zinc/43/61/76/1106436176.db2.gz GJQJYZQLXFRUED-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H](NC2C[NH+](C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537420 1106438213 /nfs/dbraw/zinc/43/82/13/1106438213.db2.gz NXYNOUFHXDBWFE-SJLPKXTDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](NC2C[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537420 1106438217 /nfs/dbraw/zinc/43/82/17/1106438217.db2.gz NXYNOUFHXDBWFE-SJLPKXTDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256543880 1106439541 /nfs/dbraw/zinc/43/95/41/1106439541.db2.gz VBSJMLAILYWVLY-NBYUQASBSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256543880 1106439543 /nfs/dbraw/zinc/43/95/43/1106439543.db2.gz VBSJMLAILYWVLY-NBYUQASBSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543880 1106439545 /nfs/dbraw/zinc/43/95/45/1106439545.db2.gz VBSJMLAILYWVLY-NBYUQASBSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543880 1106439547 /nfs/dbraw/zinc/43/95/47/1106439547.db2.gz VBSJMLAILYWVLY-NBYUQASBSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H](C)[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543921 1106439603 /nfs/dbraw/zinc/43/96/03/1106439603.db2.gz VSUUCBPLFYDTTH-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H](C)[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543921 1106439606 /nfs/dbraw/zinc/43/96/06/1106439606.db2.gz VSUUCBPLFYDTTH-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543921 1106439608 /nfs/dbraw/zinc/43/96/08/1106439608.db2.gz VSUUCBPLFYDTTH-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543921 1106439611 /nfs/dbraw/zinc/43/96/11/1106439611.db2.gz VSUUCBPLFYDTTH-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP CCN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552261 1106440495 /nfs/dbraw/zinc/44/04/95/1106440495.db2.gz ATMKDIPJSZWKMP-UYAOXDASSA-N 3 1 317.521 3.313 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CCN1Cc1ccccc1 ZINC001256552406 1106441033 /nfs/dbraw/zinc/44/10/33/1106441033.db2.gz BZRLTLCLHWEQNA-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256552406 1106441035 /nfs/dbraw/zinc/44/10/35/1106441035.db2.gz BZRLTLCLHWEQNA-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256552406 1106441037 /nfs/dbraw/zinc/44/10/37/1106441037.db2.gz BZRLTLCLHWEQNA-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552406 1106441040 /nfs/dbraw/zinc/44/10/40/1106441040.db2.gz BZRLTLCLHWEQNA-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552406 1106441043 /nfs/dbraw/zinc/44/10/43/1106441043.db2.gz BZRLTLCLHWEQNA-NZSAHSFTSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CCN1Cc1ccccc1 ZINC001256552401 1106441365 /nfs/dbraw/zinc/44/13/65/1106441365.db2.gz BZRLTLCLHWEQNA-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256552401 1106441367 /nfs/dbraw/zinc/44/13/67/1106441367.db2.gz BZRLTLCLHWEQNA-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256552401 1106441368 /nfs/dbraw/zinc/44/13/68/1106441368.db2.gz BZRLTLCLHWEQNA-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552401 1106441371 /nfs/dbraw/zinc/44/13/71/1106441371.db2.gz BZRLTLCLHWEQNA-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552401 1106441372 /nfs/dbraw/zinc/44/13/72/1106441372.db2.gz BZRLTLCLHWEQNA-BHIYHBOVSA-N 2 1 316.489 3.275 20 0 DGADMP C[NH2+]CCN([C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256553343 1106441923 /nfs/dbraw/zinc/44/19/23/1106441923.db2.gz FLJAPUZJDNSRGC-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553681 1106442824 /nfs/dbraw/zinc/44/28/24/1106442824.db2.gz IZZHUMBIWBEDNR-RNQOJCNYSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553681 1106442827 /nfs/dbraw/zinc/44/28/27/1106442827.db2.gz IZZHUMBIWBEDNR-RNQOJCNYSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553681 1106442828 /nfs/dbraw/zinc/44/28/28/1106442828.db2.gz IZZHUMBIWBEDNR-RNQOJCNYSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553681 1106442832 /nfs/dbraw/zinc/44/28/32/1106442832.db2.gz IZZHUMBIWBEDNR-RNQOJCNYSA-N 2 1 314.473 3.293 20 0 DGADMP CC(=O)N(C)c1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256558010 1106443371 /nfs/dbraw/zinc/44/33/71/1106443371.db2.gz FKNMWPMWUQDIMN-UHFFFAOYSA-N 2 1 317.477 3.022 20 0 DGADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001256562140 1106445637 /nfs/dbraw/zinc/44/56/37/1106445637.db2.gz YETRONLLVRWVNQ-GOSISDBHSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)nc2)CC1 ZINC001256564817 1106445897 /nfs/dbraw/zinc/44/58/97/1106445897.db2.gz VGVRMZDRWCVFOK-UHFFFAOYSA-N 2 1 313.392 3.036 20 0 DGADMP COc1cc([C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)ccn1 ZINC001256565617 1106446610 /nfs/dbraw/zinc/44/66/10/1106446610.db2.gz FBQDEPNABMWKAL-GOSISDBHSA-N 2 1 317.477 3.394 20 0 DGADMP CC(C)(C)N1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256566313 1106447019 /nfs/dbraw/zinc/44/70/19/1106447019.db2.gz GKLJJWMIOKFHEX-JCNLHEQBSA-N 2 1 307.526 3.374 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256566313 1106447022 /nfs/dbraw/zinc/44/70/22/1106447022.db2.gz GKLJJWMIOKFHEX-JCNLHEQBSA-N 3 1 307.526 3.374 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256566313 1106447025 /nfs/dbraw/zinc/44/70/25/1106447025.db2.gz GKLJJWMIOKFHEX-JCNLHEQBSA-N 3 1 307.526 3.374 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(Oc3ccccn3)CC2)CC1 ZINC001256571440 1106447520 /nfs/dbraw/zinc/44/75/20/1106447520.db2.gz HCCLPGPIXODANJ-UHFFFAOYSA-N 2 1 317.477 3.188 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569530 1106447537 /nfs/dbraw/zinc/44/75/37/1106447537.db2.gz ISJDAFDDLKWPEE-LJQANCHMSA-N 2 1 324.509 3.305 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001256569431 1106447607 /nfs/dbraw/zinc/44/76/07/1106447607.db2.gz FNGSATSEQMZFJE-ROUUACIJSA-N 2 1 312.457 3.161 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001256569431 1106447610 /nfs/dbraw/zinc/44/76/10/1106447610.db2.gz FNGSATSEQMZFJE-ROUUACIJSA-N 2 1 312.457 3.161 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256571662 1106447772 /nfs/dbraw/zinc/44/77/72/1106447772.db2.gz JBOXCWWOAHWFJO-UHFFFAOYSA-N 3 1 309.542 3.302 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)C2CCN(C(C)(C)C)CC2)CC1 ZINC001256571662 1106447773 /nfs/dbraw/zinc/44/77/73/1106447773.db2.gz JBOXCWWOAHWFJO-UHFFFAOYSA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCN(C(C)(C)C)CC2)CC1 ZINC001256571662 1106447775 /nfs/dbraw/zinc/44/77/75/1106447775.db2.gz JBOXCWWOAHWFJO-UHFFFAOYSA-N 2 1 309.542 3.302 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](C3CCN(C(C)(C)C)CC3)CC2)CC1 ZINC001256573584 1106448439 /nfs/dbraw/zinc/44/84/39/1106448439.db2.gz KREWPFXTWJDAQP-UHFFFAOYSA-N 2 1 321.553 3.303 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001256577861 1106449293 /nfs/dbraw/zinc/44/92/93/1106449293.db2.gz UPUATIQNWDCHHR-SFHVURJKSA-N 2 1 317.477 3.188 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001256577861 1106449295 /nfs/dbraw/zinc/44/92/95/1106449295.db2.gz UPUATIQNWDCHHR-SFHVURJKSA-N 2 1 317.477 3.188 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnccn1 ZINC001256598396 1106451539 /nfs/dbraw/zinc/45/15/39/1106451539.db2.gz WXHKDGNQVAMNIQ-UHFFFAOYSA-N 2 1 324.472 3.008 20 0 DGADMP CCCC[N@@H+](CC)CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC001256597297 1106452042 /nfs/dbraw/zinc/45/20/42/1106452042.db2.gz TUNMVTWNXXMIHM-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP COCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001256619786 1106455074 /nfs/dbraw/zinc/45/50/74/1106455074.db2.gz IPIRZFXAFRUBSD-GOOCMWNKSA-N 2 1 316.436 3.186 20 0 DGADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC001256621477 1106456150 /nfs/dbraw/zinc/45/61/50/1106456150.db2.gz SOXDPXIOUPZJTF-UFRUDQCGSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC001256621477 1106456153 /nfs/dbraw/zinc/45/61/53/1106456153.db2.gz SOXDPXIOUPZJTF-UFRUDQCGSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC001256627673 1106456654 /nfs/dbraw/zinc/45/66/54/1106456654.db2.gz IGPDIUUVKDQDCU-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC001256627673 1106456657 /nfs/dbraw/zinc/45/66/57/1106456657.db2.gz IGPDIUUVKDQDCU-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629740 1106456943 /nfs/dbraw/zinc/45/69/43/1106456943.db2.gz RJKPSWWRSVXFME-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629740 1106456947 /nfs/dbraw/zinc/45/69/47/1106456947.db2.gz RJKPSWWRSVXFME-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629740 1106456949 /nfs/dbraw/zinc/45/69/49/1106456949.db2.gz RJKPSWWRSVXFME-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)Cc2ccccc21 ZINC001256689139 1106469794 /nfs/dbraw/zinc/46/97/94/1106469794.db2.gz QLPJQYJEYZIITH-IVMQYODDSA-N 2 1 314.473 3.249 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256694827 1106470539 /nfs/dbraw/zinc/47/05/39/1106470539.db2.gz GCEQCAVLPYTFRW-UHFFFAOYSA-N 2 1 322.880 3.415 20 0 DGADMP CC[N@@H+](Cc1ccc(C)cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256697204 1106470789 /nfs/dbraw/zinc/47/07/89/1106470789.db2.gz XLNNGBWCYDJWMY-UHFFFAOYSA-N 2 1 316.489 3.460 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256784065 1106481576 /nfs/dbraw/zinc/48/15/76/1106481576.db2.gz BCULRNDBJWKGRX-BHIYHBOVSA-N 2 1 302.462 3.228 20 0 DGADMP c1cc([C@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC001256860573 1106498816 /nfs/dbraw/zinc/49/88/16/1106498816.db2.gz FTEQUZZPSSGZNK-LJQANCHMSA-N 2 1 308.429 3.283 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256896372 1106503721 /nfs/dbraw/zinc/50/37/21/1106503721.db2.gz BTQBVUGKBKRONH-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256896372 1106503726 /nfs/dbraw/zinc/50/37/26/1106503726.db2.gz BTQBVUGKBKRONH-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP COC(=O)CCCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895118 1106503895 /nfs/dbraw/zinc/50/38/95/1106503895.db2.gz RBSVXWWLNYYRQC-MRXNPFEDSA-N 2 1 310.482 3.107 20 0 DGADMP COC(=O)CCCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895118 1106503898 /nfs/dbraw/zinc/50/38/98/1106503898.db2.gz RBSVXWWLNYYRQC-MRXNPFEDSA-N 2 1 310.482 3.107 20 0 DGADMP CCOC(CCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)OCC ZINC001256898011 1106505180 /nfs/dbraw/zinc/50/51/80/1106505180.db2.gz JACCELACMODEPP-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(CCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)OCC ZINC001256898011 1106505176 /nfs/dbraw/zinc/50/51/76/1106505176.db2.gz JACCELACMODEPP-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CC(C)(O)[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256901446 1106505804 /nfs/dbraw/zinc/50/58/04/1106505804.db2.gz WLZRTRTXRPQTTH-ULQDDVLXSA-N 2 1 308.510 3.313 20 0 DGADMP CC(C)(O)[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256901446 1106505809 /nfs/dbraw/zinc/50/58/09/1106505809.db2.gz WLZRTRTXRPQTTH-ULQDDVLXSA-N 2 1 308.510 3.313 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900484 1106505914 /nfs/dbraw/zinc/50/59/14/1106505914.db2.gz NHRCPHAJDUTXCV-ROUUACIJSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900484 1106505920 /nfs/dbraw/zinc/50/59/20/1106505920.db2.gz NHRCPHAJDUTXCV-ROUUACIJSA-N 3 1 309.542 3.494 20 0 DGADMP c1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)CO2 ZINC001256904557 1106507258 /nfs/dbraw/zinc/50/72/58/1106507258.db2.gz JDJSEBHCGNSMLP-WMZOPIPTSA-N 2 1 314.473 3.234 20 0 DGADMP c1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)CO2 ZINC001256904557 1106507262 /nfs/dbraw/zinc/50/72/62/1106507262.db2.gz JDJSEBHCGNSMLP-WMZOPIPTSA-N 2 1 314.473 3.234 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904374 1106507445 /nfs/dbraw/zinc/50/74/45/1106507445.db2.gz HOOMBTNPABCLTD-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904374 1106507451 /nfs/dbraw/zinc/50/74/51/1106507451.db2.gz HOOMBTNPABCLTD-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP c1cncc(CC2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256904566 1106508514 /nfs/dbraw/zinc/50/85/14/1106508514.db2.gz JIIZLNOLLMJWHA-GOSISDBHSA-N 2 1 313.489 3.401 20 0 DGADMP c1cncc(CC2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256904566 1106508515 /nfs/dbraw/zinc/50/85/15/1106508515.db2.gz JIIZLNOLLMJWHA-GOSISDBHSA-N 2 1 313.489 3.401 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256910307 1106510144 /nfs/dbraw/zinc/51/01/44/1106510144.db2.gz YUKRSYLGAGGAFK-LJQANCHMSA-N 3 1 321.553 3.495 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256910307 1106510146 /nfs/dbraw/zinc/51/01/46/1106510146.db2.gz YUKRSYLGAGGAFK-LJQANCHMSA-N 3 1 321.553 3.495 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N3CCC([NH+]4CCCCC4)CC3)C2)C1 ZINC001256911281 1106510650 /nfs/dbraw/zinc/51/06/50/1106510650.db2.gz KUXCNYGOSNVCAS-FQEVSTJZSA-N 2 1 319.537 3.344 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001257065595 1106532861 /nfs/dbraw/zinc/53/28/61/1106532861.db2.gz QARONXDPUZBPKY-XDNAFOTISA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001257065595 1106532863 /nfs/dbraw/zinc/53/28/63/1106532863.db2.gz QARONXDPUZBPKY-XDNAFOTISA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001257065595 1106532866 /nfs/dbraw/zinc/53/28/66/1106532866.db2.gz QARONXDPUZBPKY-XDNAFOTISA-N 2 1 322.493 3.057 20 0 DGADMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001257221694 1106554059 /nfs/dbraw/zinc/55/40/59/1106554059.db2.gz DCYLFFHHPPDXAZ-SFHVURJKSA-N 2 1 315.505 3.066 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220731 1106554337 /nfs/dbraw/zinc/55/43/37/1106554337.db2.gz UNRFFUFTGQRPOF-QGZVFWFLSA-N 2 1 318.461 3.021 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220731 1106554340 /nfs/dbraw/zinc/55/43/40/1106554340.db2.gz UNRFFUFTGQRPOF-QGZVFWFLSA-N 2 1 318.461 3.021 20 0 DGADMP CCC(CC)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001257302529 1106564344 /nfs/dbraw/zinc/56/43/44/1106564344.db2.gz XOVGBRUCBBRKNR-UHFFFAOYSA-N 2 1 318.461 3.216 20 0 DGADMP CCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001257308067 1106564859 /nfs/dbraw/zinc/56/48/59/1106564859.db2.gz FHOKSLSLDNYMGA-QGZVFWFLSA-N 2 1 303.494 3.102 20 0 DGADMP CCCC(CCC)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001257329965 1106569317 /nfs/dbraw/zinc/56/93/17/1106569317.db2.gz YWTVZCOXOZJCSF-UHFFFAOYSA-N 2 1 317.521 3.492 20 0 DGADMP CCCC[C@@H](CC)[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257424004 1106587004 /nfs/dbraw/zinc/58/70/04/1106587004.db2.gz YJYZIRPIDQOSHJ-MRXNPFEDSA-N 2 1 321.513 3.293 20 0 DGADMP CCCC[C@@H](CC)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257424004 1106587007 /nfs/dbraw/zinc/58/70/07/1106587007.db2.gz YJYZIRPIDQOSHJ-MRXNPFEDSA-N 2 1 321.513 3.293 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001257444239 1106589961 /nfs/dbraw/zinc/58/99/61/1106589961.db2.gz HWJDUUHIRRQAMT-KRWDZBQOSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCSC1 ZINC001257676927 1106619720 /nfs/dbraw/zinc/61/97/20/1106619720.db2.gz NICUIRFANOKZGB-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCSC1 ZINC001257676927 1106619722 /nfs/dbraw/zinc/61/97/22/1106619722.db2.gz NICUIRFANOKZGB-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCSC1 ZINC001257676927 1106619724 /nfs/dbraw/zinc/61/97/24/1106619724.db2.gz NICUIRFANOKZGB-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(OCc2ccccc2)CC1 ZINC001257821579 1106631452 /nfs/dbraw/zinc/63/14/52/1106631452.db2.gz KGDPOBFFNJIOCJ-UHFFFAOYSA-N 2 1 313.445 3.393 20 0 DGADMP COc1cncc([C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)c1 ZINC001258010984 1106658136 /nfs/dbraw/zinc/65/81/36/1106658136.db2.gz GAIGFMNTQCDKQD-IBGZPJMESA-N 2 1 317.477 3.251 20 0 DGADMP CCOC(=O)CC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC001258021992 1106659917 /nfs/dbraw/zinc/65/99/17/1106659917.db2.gz ZYPFAUHSEKZLOZ-UHFFFAOYSA-N 2 1 312.498 3.207 20 0 DGADMP CCOC(=O)CC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001258023562 1106660028 /nfs/dbraw/zinc/66/00/28/1106660028.db2.gz FMPLTERDSIWPGF-WWDZGPRUSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258068827 1106666917 /nfs/dbraw/zinc/66/69/17/1106666917.db2.gz GBEUBCXXBZTISO-CADBVGFASA-N 2 1 309.542 3.157 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCc3ccncc3)CC2)cc1 ZINC001258134665 1106679287 /nfs/dbraw/zinc/67/92/87/1106679287.db2.gz SAYQIXNKKQFVOG-UHFFFAOYSA-N 2 1 323.484 3.311 20 0 DGADMP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258140200 1106679679 /nfs/dbraw/zinc/67/96/79/1106679679.db2.gz TZMSUTDHAPJKMW-PUZFROQSSA-N 2 1 316.489 3.241 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)C2C[C@H](C)C[C@@H](C)C2)nc(C)[nH+]1 ZINC001258170386 1106686074 /nfs/dbraw/zinc/68/60/74/1106686074.db2.gz KCHOPSLJYNIPMD-ZIAGYGMSSA-N 2 1 316.493 3.477 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258183170 1106689893 /nfs/dbraw/zinc/68/98/93/1106689893.db2.gz JEHBUEDOMBRMHC-JFIYKMOQSA-N 2 1 313.445 3.378 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258411634 1106734824 /nfs/dbraw/zinc/73/48/24/1106734824.db2.gz HTFISZGEPPZKEU-MRXNPFEDSA-N 2 1 319.468 3.116 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258485278 1106772750 /nfs/dbraw/zinc/77/27/50/1106772750.db2.gz BNXVPGYBVGMHHG-BFYDXBDKSA-N 2 1 310.482 3.233 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258525837 1106795698 /nfs/dbraw/zinc/79/56/98/1106795698.db2.gz KBWCHOCNZPCYFU-UHFFFAOYSA-N 2 1 324.509 3.114 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258525837 1106795708 /nfs/dbraw/zinc/79/57/08/1106795708.db2.gz KBWCHOCNZPCYFU-UHFFFAOYSA-N 2 1 324.509 3.114 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316947718 1106805018 /nfs/dbraw/zinc/80/50/18/1106805018.db2.gz ONYIHMYSAZPVOT-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCc1cccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)c1 ZINC001474660261 1106902065 /nfs/dbraw/zinc/90/20/65/1106902065.db2.gz HOLQRUBAHYWRHG-UHFFFAOYSA-N 2 1 318.505 3.429 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC(C)(C)C1 ZINC001258697829 1106912249 /nfs/dbraw/zinc/91/22/49/1106912249.db2.gz MQSMLLLIAIKUPK-LSDHHAIUSA-N 2 1 307.482 3.331 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258698281 1106912295 /nfs/dbraw/zinc/91/22/95/1106912295.db2.gz PBTSDPZQSTZZIP-HOTGVXAUSA-N 2 1 312.498 3.018 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001258705749 1106919765 /nfs/dbraw/zinc/91/97/65/1106919765.db2.gz KGIAMYYUBRYNJN-HXUWFJFHSA-N 2 1 317.521 3.015 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ncccc3C)C2)CC1 ZINC001258776958 1106971377 /nfs/dbraw/zinc/97/13/77/1106971377.db2.gz JNRGEDZPSSPQQL-SFHVURJKSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ncccc3C)C2)CC1 ZINC001258776958 1106971385 /nfs/dbraw/zinc/97/13/85/1106971385.db2.gz JNRGEDZPSSPQQL-SFHVURJKSA-N 2 1 317.477 3.108 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001258886332 1107039257 /nfs/dbraw/zinc/03/92/57/1107039257.db2.gz JCNUNCRRVWDRQM-INIZCTEOSA-N 2 1 302.462 3.186 20 0 DGADMP CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258900664 1107048972 /nfs/dbraw/zinc/04/89/72/1107048972.db2.gz BVPIXGUIMYNUMN-NVXWUHKLSA-N 2 1 312.498 3.208 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cnc2ccccn12 ZINC001258907343 1107055181 /nfs/dbraw/zinc/05/51/81/1107055181.db2.gz IYZBMDIBDKDJHL-MRXNPFEDSA-N 2 1 302.466 3.277 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001258907135 1107055777 /nfs/dbraw/zinc/05/57/77/1107055777.db2.gz GIXNERUGXUZMNS-LSDHHAIUSA-N 2 1 324.431 3.276 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948393 1107199176 /nfs/dbraw/zinc/19/91/76/1107199176.db2.gz DIRZRMCYXCRQSE-GOEBONIOSA-N 2 1 306.498 3.329 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948393 1107199182 /nfs/dbraw/zinc/19/91/82/1107199182.db2.gz DIRZRMCYXCRQSE-GOEBONIOSA-N 2 1 306.498 3.329 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH+](C)C)CC2 ZINC001321163245 1107270957 /nfs/dbraw/zinc/27/09/57/1107270957.db2.gz NTRBTFGKMLXYEE-NZSAHSFTSA-N 2 1 302.462 3.015 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC001321859369 1107450817 /nfs/dbraw/zinc/45/08/17/1107450817.db2.gz XOHYIKMQSLWJIH-BSDSXHPESA-N 2 1 316.493 3.304 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC001261506485 1107456497 /nfs/dbraw/zinc/45/64/97/1107456497.db2.gz UHGSWMNUQLJXIM-CYBMUJFWSA-N 2 1 315.486 3.277 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC001322861153 1107769918 /nfs/dbraw/zinc/76/99/18/1107769918.db2.gz GTCGNJGJQUMQRK-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC001322861153 1107769933 /nfs/dbraw/zinc/76/99/33/1107769933.db2.gz GTCGNJGJQUMQRK-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC001322861153 1107769947 /nfs/dbraw/zinc/76/99/47/1107769947.db2.gz GTCGNJGJQUMQRK-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCC ZINC001318146038 1107861461 /nfs/dbraw/zinc/86/14/61/1107861461.db2.gz ONSHVWUPLPBHDJ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001318146038 1107861474 /nfs/dbraw/zinc/86/14/74/1107861474.db2.gz ONSHVWUPLPBHDJ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001318146038 1107861491 /nfs/dbraw/zinc/86/14/91/1107861491.db2.gz ONSHVWUPLPBHDJ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[nH]n1 ZINC001323451852 1107980415 /nfs/dbraw/zinc/98/04/15/1107980415.db2.gz KTKFHBUNQFKNIM-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000378921383 1108001739 /nfs/dbraw/zinc/00/17/39/1108001739.db2.gz YOCKZQUROJGQGS-CYBMUJFWSA-N 2 1 304.434 3.329 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566798 1108015055 /nfs/dbraw/zinc/01/50/55/1108015055.db2.gz HNGCYZUCMVDDOU-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566798 1108015069 /nfs/dbraw/zinc/01/50/69/1108015069.db2.gz HNGCYZUCMVDDOU-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001323566798 1108015083 /nfs/dbraw/zinc/01/50/83/1108015083.db2.gz HNGCYZUCMVDDOU-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001323566798 1108015099 /nfs/dbraw/zinc/01/50/99/1108015099.db2.gz HNGCYZUCMVDDOU-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379625632 1108033881 /nfs/dbraw/zinc/03/38/81/1108033881.db2.gz KZVYODPKYHBPOF-IHPCNDPISA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379625632 1108033887 /nfs/dbraw/zinc/03/38/87/1108033887.db2.gz KZVYODPKYHBPOF-IHPCNDPISA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379625632 1108033904 /nfs/dbraw/zinc/03/39/04/1108033904.db2.gz KZVYODPKYHBPOF-IHPCNDPISA-N 2 1 315.505 3.112 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC001323738479 1108073789 /nfs/dbraw/zinc/07/37/89/1108073789.db2.gz AAVUVDYKMDMKTI-UHFFFAOYSA-N 2 1 314.477 3.401 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319200760 1108362556 /nfs/dbraw/zinc/36/25/56/1108362556.db2.gz HVSVSHUWQDCBMK-JQHSSLGASA-N 2 1 317.477 3.175 20 0 DGADMP CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319207398 1108365849 /nfs/dbraw/zinc/36/58/49/1108365849.db2.gz LGKJZZMAODDNAD-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281863 1108398904 /nfs/dbraw/zinc/39/89/04/1108398904.db2.gz DTLNGMGDUFADLM-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281863 1108398918 /nfs/dbraw/zinc/39/89/18/1108398918.db2.gz DTLNGMGDUFADLM-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001319291870 1108404936 /nfs/dbraw/zinc/40/49/36/1108404936.db2.gz YIAZYSBETCIIKH-IPELMVKDSA-N 2 1 304.478 3.479 20 0 DGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001319562115 1108527784 /nfs/dbraw/zinc/52/77/84/1108527784.db2.gz BCTPQILDHCQAGK-WMZOPIPTSA-N 2 1 312.461 3.108 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388576822 1108575157 /nfs/dbraw/zinc/57/51/57/1108575157.db2.gz FEFOJBCSUPWJBJ-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388576822 1108575167 /nfs/dbraw/zinc/57/51/67/1108575167.db2.gz FEFOJBCSUPWJBJ-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388576822 1108575177 /nfs/dbraw/zinc/57/51/77/1108575177.db2.gz FEFOJBCSUPWJBJ-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388736561 1108593961 /nfs/dbraw/zinc/59/39/61/1108593961.db2.gz BWSFPAFEFNNNBJ-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3CC[C@H]2C)[C@@H](C)C1 ZINC001319784177 1108634437 /nfs/dbraw/zinc/63/44/37/1108634437.db2.gz MIDGUSLVNIYVFV-SCTDSRPQSA-N 2 1 315.505 3.148 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3CC[C@@H]2C)[C@@H](C)C1 ZINC001319784176 1108634674 /nfs/dbraw/zinc/63/46/74/1108634674.db2.gz MIDGUSLVNIYVFV-LNLFQRSKSA-N 2 1 315.505 3.148 20 0 DGADMP CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266227760 1109132890 /nfs/dbraw/zinc/13/28/90/1109132890.db2.gz WPOHTMNOXFGYCI-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCC[C@H]1CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266227760 1109132892 /nfs/dbraw/zinc/13/28/92/1109132892.db2.gz WPOHTMNOXFGYCI-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCC[C@H]1CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266227760 1109132895 /nfs/dbraw/zinc/13/28/95/1109132895.db2.gz WPOHTMNOXFGYCI-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001283676437 1109671703 /nfs/dbraw/zinc/67/17/03/1109671703.db2.gz AAWRPFAFQXRYRM-JKCVZHOFSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000823116376 1110111458 /nfs/dbraw/zinc/11/14/58/1110111458.db2.gz KLDVEZGTVBFFRT-ZPHPHTNESA-N 2 1 315.505 3.097 20 0 DGADMP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001305973995 1111214169 /nfs/dbraw/zinc/21/41/69/1111214169.db2.gz UXSQSVFDZAPSOB-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001307455955 1111301023 /nfs/dbraw/zinc/30/10/23/1111301023.db2.gz VWJGWQBROKKRLN-KRWDZBQOSA-N 2 1 324.509 3.159 20 0 DGADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001307456778 1111301318 /nfs/dbraw/zinc/30/13/18/1111301318.db2.gz XEUDJUGVLVVULP-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1ncsc1CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC001307454880 1111301327 /nfs/dbraw/zinc/30/13/27/1111301327.db2.gz HVWPNRJBKJLENK-UHFFFAOYSA-N 2 1 309.523 3.436 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC001308293198 1111411987 /nfs/dbraw/zinc/41/19/87/1111411987.db2.gz KFLZDDKBPLWBAQ-PVAVHDDUSA-N 2 1 302.462 3.015 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC001308293198 1111411990 /nfs/dbraw/zinc/41/19/90/1111411990.db2.gz KFLZDDKBPLWBAQ-PVAVHDDUSA-N 2 1 302.462 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3C(F)(F)F)[C@H]2C1 ZINC001308553107 1111441995 /nfs/dbraw/zinc/44/19/95/1111441995.db2.gz GXFLBVJLOVWOPF-WHOFXGATSA-N 2 1 316.342 3.274 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC001308564082 1111444510 /nfs/dbraw/zinc/44/45/10/1111444510.db2.gz HPYXLKNLKFNRDI-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1csc2nc(C)c(C[NH2+]CC[C@@H](C)[NH+]3CCCCC3)n12 ZINC001308684255 1111460802 /nfs/dbraw/zinc/46/08/02/1111460802.db2.gz RHAQZDRHIVSVJL-CYBMUJFWSA-N 2 1 320.506 3.367 20 0 DGADMP Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC001308744264 1111469322 /nfs/dbraw/zinc/46/93/22/1111469322.db2.gz IZDBMJMQYDYILV-FQEVSTJZSA-N 2 1 315.505 3.237 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCC[N@H+]3CCCC3(C)C)CC2)C1 ZINC001308815723 1111479680 /nfs/dbraw/zinc/47/96/80/1111479680.db2.gz PGNDGZOIDUBFJF-HKUYNNGSSA-N 2 1 321.553 3.494 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904898 1111491603 /nfs/dbraw/zinc/49/16/03/1111491603.db2.gz XOPGIAAAQDUABK-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904898 1111491606 /nfs/dbraw/zinc/49/16/06/1111491606.db2.gz XOPGIAAAQDUABK-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001308904898 1111491608 /nfs/dbraw/zinc/49/16/08/1111491608.db2.gz XOPGIAAAQDUABK-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1 ZINC001308904898 1111491609 /nfs/dbraw/zinc/49/16/09/1111491609.db2.gz XOPGIAAAQDUABK-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CN(CCC[N@@H+](C)Cc1cc2ccccc2s1)CC[NH+](C)C ZINC000344024449 282092471 /nfs/dbraw/zinc/09/24/71/282092471.db2.gz IMILFJIIURDWOI-UHFFFAOYSA-N 2 1 319.518 3.217 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000278529284 214216407 /nfs/dbraw/zinc/21/64/07/214216407.db2.gz RJIWAYNKEZTBSL-GJZGRUSLSA-N 2 1 310.532 3.303 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000278529284 214216408 /nfs/dbraw/zinc/21/64/08/214216408.db2.gz RJIWAYNKEZTBSL-GJZGRUSLSA-N 2 1 310.532 3.303 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278604584 214269758 /nfs/dbraw/zinc/26/97/58/214269758.db2.gz CLEJNBDLLBODGP-CGTJXYLNSA-N 2 1 304.503 3.240 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278691105 214330693 /nfs/dbraw/zinc/33/06/93/214330693.db2.gz KLTYSHFONPDNFL-IYHXRUFHSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@H]([NH2+]Cc1cncc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309790002 231105561 /nfs/dbraw/zinc/10/55/61/231105561.db2.gz OKSKAWNUWNREOZ-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1cncc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309790002 231105564 /nfs/dbraw/zinc/10/55/64/231105564.db2.gz OKSKAWNUWNREOZ-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP Cn1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309977770 231110511 /nfs/dbraw/zinc/11/05/11/231110511.db2.gz SJQIKGPYLGEIBE-LJQANCHMSA-N 2 1 311.473 3.417 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000309981124 231111050 /nfs/dbraw/zinc/11/10/50/231111050.db2.gz UZMPSFJLSUMRPK-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000309981124 231111052 /nfs/dbraw/zinc/11/10/52/231111052.db2.gz UZMPSFJLSUMRPK-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000309981124 231111056 /nfs/dbraw/zinc/11/10/56/231111056.db2.gz UZMPSFJLSUMRPK-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000278771020 214389859 /nfs/dbraw/zinc/38/98/59/214389859.db2.gz PDXKSGPAIYRETH-OWZKRDHZSA-N 2 1 324.472 3.188 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000278771020 214389861 /nfs/dbraw/zinc/38/98/61/214389861.db2.gz PDXKSGPAIYRETH-OWZKRDHZSA-N 2 1 324.472 3.188 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063071 529426428 /nfs/dbraw/zinc/42/64/28/529426428.db2.gz GWRDLKBOLGOHBQ-IAGOWNOFSA-N 2 1 320.477 3.132 20 0 DGADMP CC[C@@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000444598071 529509897 /nfs/dbraw/zinc/50/98/97/529509897.db2.gz PFAKTDHPTLKPKO-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444598071 529509899 /nfs/dbraw/zinc/50/98/99/529509899.db2.gz PFAKTDHPTLKPKO-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444598071 529509903 /nfs/dbraw/zinc/50/99/03/529509903.db2.gz PFAKTDHPTLKPKO-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431098381 529539081 /nfs/dbraw/zinc/53/90/81/529539081.db2.gz CXCPNYSSCCURFB-HNNXBMFYSA-N 2 1 316.449 3.025 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070886 529542485 /nfs/dbraw/zinc/54/24/85/529542485.db2.gz ZXRILLIBMIXYNP-HNNXBMFYSA-N 2 1 316.449 3.107 20 0 DGADMP CCc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000302056541 529557474 /nfs/dbraw/zinc/55/74/74/529557474.db2.gz QVWJCULRGMFOBU-MRXNPFEDSA-N 2 1 302.397 3.201 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC ZINC000432420500 529596901 /nfs/dbraw/zinc/59/69/01/529596901.db2.gz BURKGJDJWITKKB-WMZOPIPTSA-N 2 1 320.477 3.237 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC ZINC000432420500 529596904 /nfs/dbraw/zinc/59/69/04/529596904.db2.gz BURKGJDJWITKKB-WMZOPIPTSA-N 2 1 320.477 3.237 20 0 DGADMP CCc1ccc([C@@H](CC)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442873003 529707717 /nfs/dbraw/zinc/70/77/17/529707717.db2.gz KKWNTOFHNHVJMU-LJQANCHMSA-N 2 1 317.521 3.316 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000292725678 529811204 /nfs/dbraw/zinc/81/12/04/529811204.db2.gz FTWYKJCXKXCPHU-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000292725678 529811205 /nfs/dbraw/zinc/81/12/05/529811205.db2.gz FTWYKJCXKXCPHU-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000292725678 529811208 /nfs/dbraw/zinc/81/12/08/529811208.db2.gz FTWYKJCXKXCPHU-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023316 529811650 /nfs/dbraw/zinc/81/16/50/529811650.db2.gz DYXDMVPCGALBOH-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023316 529811651 /nfs/dbraw/zinc/81/16/51/529811651.db2.gz DYXDMVPCGALBOH-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023316 529811652 /nfs/dbraw/zinc/81/16/52/529811652.db2.gz DYXDMVPCGALBOH-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023316 529811654 /nfs/dbraw/zinc/81/16/54/529811654.db2.gz DYXDMVPCGALBOH-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[N@@H+](CCC1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292623986 529878710 /nfs/dbraw/zinc/87/87/10/529878710.db2.gz NCUWBHFQMOXNTJ-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292623986 529878711 /nfs/dbraw/zinc/87/87/11/529878711.db2.gz NCUWBHFQMOXNTJ-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292623986 529878712 /nfs/dbraw/zinc/87/87/12/529878712.db2.gz NCUWBHFQMOXNTJ-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+](CCCOCCc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000441356400 529894508 /nfs/dbraw/zinc/89/45/08/529894508.db2.gz PRFXUOUGJQSDBX-FQEVSTJZSA-N 2 1 318.505 3.442 20 0 DGADMP C[NH+](CCCOCCc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441356400 529894509 /nfs/dbraw/zinc/89/45/09/529894509.db2.gz PRFXUOUGJQSDBX-FQEVSTJZSA-N 2 1 318.505 3.442 20 0 DGADMP C[NH+](CCCOCCc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000441356400 529894511 /nfs/dbraw/zinc/89/45/11/529894511.db2.gz PRFXUOUGJQSDBX-FQEVSTJZSA-N 2 1 318.505 3.442 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423200006 529971635 /nfs/dbraw/zinc/97/16/35/529971635.db2.gz LHYWGCDQOIXWOV-GFCCVEGCSA-N 2 1 306.841 3.094 20 0 DGADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC(C)(C)C[NH3+] ZINC000430555640 529973500 /nfs/dbraw/zinc/97/35/00/529973500.db2.gz JFHRCYXSNFEBTD-UHFFFAOYSA-N 2 1 322.456 3.418 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435372181 529991256 /nfs/dbraw/zinc/99/12/56/529991256.db2.gz QFPWGTWFNNTZPF-SJPCQFCGSA-N 2 1 300.446 3.115 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430964527 529993153 /nfs/dbraw/zinc/99/31/53/529993153.db2.gz FIUOOPPAZAFQSW-ZDUSSCGKSA-N 2 1 316.367 3.016 20 0 DGADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299525441 530062815 /nfs/dbraw/zinc/06/28/15/530062815.db2.gz PPXOYIMYZCMZBB-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181756328 199348346 /nfs/dbraw/zinc/34/83/46/199348346.db2.gz JIDNMXUPGYMYJH-CZUORRHYSA-N 2 1 310.869 3.354 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC(C)C)CC2)c1C ZINC000104074692 432013548 /nfs/dbraw/zinc/01/35/48/432013548.db2.gz QCXVSNCEJCZLKT-UHFFFAOYSA-N 2 1 319.493 3.259 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC(C)C)CC2)c1C ZINC000104074692 432013549 /nfs/dbraw/zinc/01/35/49/432013549.db2.gz QCXVSNCEJCZLKT-UHFFFAOYSA-N 2 1 319.493 3.259 20 0 DGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000104084678 432013882 /nfs/dbraw/zinc/01/38/82/432013882.db2.gz ZKQZUJNMIIVHJB-UHFFFAOYSA-N 2 1 300.368 3.479 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000279733328 215100485 /nfs/dbraw/zinc/10/04/85/215100485.db2.gz NXUXGYINDJHKHH-IOMROCGXSA-N 2 1 324.468 3.220 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1ccccc1 ZINC000279734787 215103082 /nfs/dbraw/zinc/10/30/82/215103082.db2.gz WMOJCYWERQUDIN-YDZRNGNQSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000279974065 215281906 /nfs/dbraw/zinc/28/19/06/215281906.db2.gz DFDVTQWKZKIDIO-FUHIMQAGSA-N 2 1 315.505 3.221 20 0 DGADMP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000152441824 186072981 /nfs/dbraw/zinc/07/29/81/186072981.db2.gz HCDQPAOWTGVLPU-IBGZPJMESA-N 2 1 318.505 3.082 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152448000 186074234 /nfs/dbraw/zinc/07/42/34/186074234.db2.gz FEESBLHSVOGZOX-PMPSAXMXSA-N 2 1 302.462 3.261 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189972115 186257307 /nfs/dbraw/zinc/25/73/07/186257307.db2.gz FUBKHVYQEXQGQF-OALUTQOASA-N 2 1 318.505 3.285 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000268743349 186374751 /nfs/dbraw/zinc/37/47/51/186374751.db2.gz DSRFUARALHXFJT-HNNXBMFYSA-N 2 1 319.449 3.024 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000268743349 186374753 /nfs/dbraw/zinc/37/47/53/186374753.db2.gz DSRFUARALHXFJT-HNNXBMFYSA-N 2 1 319.449 3.024 20 0 DGADMP C[C@H]1C[C@@H](NCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744350 186375817 /nfs/dbraw/zinc/37/58/17/186375817.db2.gz REFTYZCQLIMVBX-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000268747750 186377255 /nfs/dbraw/zinc/37/72/55/186377255.db2.gz BCEFIYYPBMMJJR-ULQDDVLXSA-N 2 1 318.461 3.371 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000173388825 198209195 /nfs/dbraw/zinc/20/91/95/198209195.db2.gz SRGPDXYCOZOAPE-JKSUJKDBSA-N 2 1 320.477 3.475 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182061011 199381195 /nfs/dbraw/zinc/38/11/95/199381195.db2.gz LVKMMSNUXMWYBF-KBPBESRZSA-N 2 1 314.433 3.137 20 0 DGADMP CSc1ccc(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000173791979 198252355 /nfs/dbraw/zinc/25/23/55/198252355.db2.gz UMDSYKYCFQRSSK-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CSc1ccc(OCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000173791979 198252357 /nfs/dbraw/zinc/25/23/57/198252357.db2.gz UMDSYKYCFQRSSK-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CSc1ccc(OCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000173791979 198252359 /nfs/dbraw/zinc/25/23/59/198252359.db2.gz UMDSYKYCFQRSSK-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000174628481 198361496 /nfs/dbraw/zinc/36/14/96/198361496.db2.gz OFMRLMGGFBPDJR-MJGOQNOKSA-N 2 1 315.505 3.497 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000164569643 432049320 /nfs/dbraw/zinc/04/93/20/432049320.db2.gz GMIDIGWOKKFRMS-QAPCUYQASA-N 2 1 315.461 3.142 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000164661675 432050358 /nfs/dbraw/zinc/05/03/58/432050358.db2.gz NAPMBQPPAGDVSN-PEBXRYMYSA-N 2 1 319.474 3.060 20 0 DGADMP COc1ccc2oc(C[NH2+]CCC[NH+]3CCCCC3)cc2c1 ZINC000179285099 432052686 /nfs/dbraw/zinc/05/26/86/432052686.db2.gz CUKJQCIIYXRSJJ-UHFFFAOYSA-N 2 1 302.418 3.407 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1)C[NH+]1CCCC1 ZINC000165296355 432054690 /nfs/dbraw/zinc/05/46/90/432054690.db2.gz UUTAYJUGWMCMKB-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000165885323 432057710 /nfs/dbraw/zinc/05/77/10/432057710.db2.gz SSKBMUARQRLONI-NEWSRXKRSA-N 2 1 304.478 3.158 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000165885323 432057712 /nfs/dbraw/zinc/05/77/12/432057712.db2.gz SSKBMUARQRLONI-NEWSRXKRSA-N 2 1 304.478 3.158 20 0 DGADMP Fc1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000166406491 432061093 /nfs/dbraw/zinc/06/10/93/432061093.db2.gz CKPXGJHMTYRZFW-JKSUJKDBSA-N 2 1 301.409 3.066 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000276888174 213156233 /nfs/dbraw/zinc/15/62/33/213156233.db2.gz LTBILNFKUDNSSJ-UHOSZYNNSA-N 2 1 318.505 3.282 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857367 432066688 /nfs/dbraw/zinc/06/66/88/432066688.db2.gz FYLMHXSAEGCEMJ-VUHPKUFZSA-N 2 1 317.521 3.434 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000167983103 432067974 /nfs/dbraw/zinc/06/79/74/432067974.db2.gz WKKCAEGATWINCX-UHFFFAOYSA-N 2 1 316.367 3.390 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000168611862 432070032 /nfs/dbraw/zinc/07/00/32/432070032.db2.gz BLAUIOATQFWDMV-KCQAQPDRSA-N 2 1 312.404 3.415 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000168611862 432070035 /nfs/dbraw/zinc/07/00/35/432070035.db2.gz BLAUIOATQFWDMV-KCQAQPDRSA-N 2 1 312.404 3.415 20 0 DGADMP COc1cccc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000179419354 199031766 /nfs/dbraw/zinc/03/17/66/199031766.db2.gz WLQHPDSLOAWQGL-SFHVURJKSA-N 2 1 302.462 3.359 20 0 DGADMP C[C@H]1C[C@H](C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414746569 291122669 /nfs/dbraw/zinc/12/26/69/291122669.db2.gz SHNLEJFMZRNGCZ-VHSXEESVSA-N 2 1 318.305 3.191 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000180452821 199161206 /nfs/dbraw/zinc/16/12/06/199161206.db2.gz RIYBOMLBIQJWLC-IBGZPJMESA-N 2 1 321.484 3.140 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000180678498 199194804 /nfs/dbraw/zinc/19/48/04/199194804.db2.gz BAOBKPWPAPZWRX-STQMWFEESA-N 2 1 316.367 3.157 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000180678498 199194806 /nfs/dbraw/zinc/19/48/06/199194806.db2.gz BAOBKPWPAPZWRX-STQMWFEESA-N 2 1 316.367 3.157 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000180095080 432078455 /nfs/dbraw/zinc/07/84/55/432078455.db2.gz AWBYAXZKKYSYHF-JKSUJKDBSA-N 2 1 323.484 3.408 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415038546 237025317 /nfs/dbraw/zinc/02/53/17/237025317.db2.gz HYFZAKHHXWISGM-AEFFLSMTSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000415104236 237079047 /nfs/dbraw/zinc/07/90/47/237079047.db2.gz KWTQSFHFIMFLDQ-HOTGVXAUSA-N 2 1 301.459 3.343 20 0 DGADMP Cc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1Br ZINC000415102836 237080832 /nfs/dbraw/zinc/08/08/32/237080832.db2.gz JDOZZZOAXIYJES-JSGCOSHPSA-N 2 1 311.267 3.378 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000415136020 237103282 /nfs/dbraw/zinc/10/32/82/237103282.db2.gz WZIISIRWQUAHRB-DOMZBBRYSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000415133623 237104492 /nfs/dbraw/zinc/10/44/92/237104492.db2.gz VGVKPUDCLBTGQQ-GXSJLCMTSA-N 2 1 317.296 3.236 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000415133623 237104500 /nfs/dbraw/zinc/10/45/00/237104500.db2.gz VGVKPUDCLBTGQQ-GXSJLCMTSA-N 2 1 317.296 3.236 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187842110 200165081 /nfs/dbraw/zinc/16/50/81/200165081.db2.gz COROSCVRQCLJMP-WOJBJXKFSA-N 2 1 316.489 3.197 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000422992175 296001914 /nfs/dbraw/zinc/00/19/14/296001914.db2.gz QVHCIZCXWKKMDO-DOTOQJQBSA-N 2 1 318.461 3.248 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000170884428 432086682 /nfs/dbraw/zinc/08/66/82/432086682.db2.gz RMXILXSLCFJVAR-NSHDSACASA-N 2 1 317.296 3.284 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000170884428 432086684 /nfs/dbraw/zinc/08/66/84/432086684.db2.gz RMXILXSLCFJVAR-NSHDSACASA-N 2 1 317.296 3.284 20 0 DGADMP C[NH+](Cc1cc(Br)cs1)C[C@H]1CCC[N@H+](C)C1 ZINC000170884428 432086686 /nfs/dbraw/zinc/08/66/86/432086686.db2.gz RMXILXSLCFJVAR-NSHDSACASA-N 2 1 317.296 3.284 20 0 DGADMP C[NH+](Cc1cc(Br)cs1)C[C@H]1CCC[N@@H+](C)C1 ZINC000170884428 432086687 /nfs/dbraw/zinc/08/66/87/432086687.db2.gz RMXILXSLCFJVAR-NSHDSACASA-N 2 1 317.296 3.284 20 0 DGADMP C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422784083 237797401 /nfs/dbraw/zinc/79/74/01/237797401.db2.gz LVBHLESAXQPGFV-BBRMVZONSA-N 2 1 301.459 3.083 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)oc21 ZINC000422810455 237800447 /nfs/dbraw/zinc/80/04/47/237800447.db2.gz UFCBSBRZODWJCE-YXQSOJMXSA-N 2 1 300.402 3.375 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189068147 200344402 /nfs/dbraw/zinc/34/44/02/200344402.db2.gz DXLFGRXPOMKMEL-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134897854 432089017 /nfs/dbraw/zinc/08/90/17/432089017.db2.gz NYLRNHPSKWGEAF-QAPCUYQASA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134897854 432089019 /nfs/dbraw/zinc/08/90/19/432089019.db2.gz NYLRNHPSKWGEAF-QAPCUYQASA-N 2 1 318.436 3.153 20 0 DGADMP c1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134891935 432089085 /nfs/dbraw/zinc/08/90/85/432089085.db2.gz GXMYRTWTMPQYNV-VQIMIIECSA-N 2 1 300.446 3.014 20 0 DGADMP c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134891935 432089087 /nfs/dbraw/zinc/08/90/87/432089087.db2.gz GXMYRTWTMPQYNV-VQIMIIECSA-N 2 1 300.446 3.014 20 0 DGADMP c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134891935 432089090 /nfs/dbraw/zinc/08/90/90/432089090.db2.gz GXMYRTWTMPQYNV-VQIMIIECSA-N 2 1 300.446 3.014 20 0 DGADMP Fc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134897854 432089012 /nfs/dbraw/zinc/08/90/12/432089012.db2.gz NYLRNHPSKWGEAF-QAPCUYQASA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134897854 432089015 /nfs/dbraw/zinc/08/90/15/432089015.db2.gz NYLRNHPSKWGEAF-QAPCUYQASA-N 2 1 318.436 3.153 20 0 DGADMP COc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134914481 432089488 /nfs/dbraw/zinc/08/94/88/432089488.db2.gz VIZSZSHRIJLFHR-XLIONFOSSA-N 2 1 314.473 3.186 20 0 DGADMP COc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134914481 432089489 /nfs/dbraw/zinc/08/94/89/432089489.db2.gz VIZSZSHRIJLFHR-XLIONFOSSA-N 2 1 314.473 3.186 20 0 DGADMP COc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134914481 432089491 /nfs/dbraw/zinc/08/94/91/432089491.db2.gz VIZSZSHRIJLFHR-XLIONFOSSA-N 2 1 314.473 3.186 20 0 DGADMP COc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134914481 432089494 /nfs/dbraw/zinc/08/94/94/432089494.db2.gz VIZSZSHRIJLFHR-XLIONFOSSA-N 2 1 314.473 3.186 20 0 DGADMP FC1(F)CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000429447858 238051905 /nfs/dbraw/zinc/05/19/05/238051905.db2.gz KJWBPLINRBSLKJ-USXIJHARSA-N 2 1 306.400 3.284 20 0 DGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429552967 238054127 /nfs/dbraw/zinc/05/41/27/238054127.db2.gz LMINNFZPVNSSBL-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430572394 238080501 /nfs/dbraw/zinc/08/05/01/238080501.db2.gz OBLUZCNZSUOFLQ-STQMWFEESA-N 2 1 316.367 3.143 20 0 DGADMP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000431833006 238111930 /nfs/dbraw/zinc/11/19/30/238111930.db2.gz IJNAOINFCIXZRN-HOCLYGCPSA-N 2 1 321.428 3.423 20 0 DGADMP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000431833006 238111931 /nfs/dbraw/zinc/11/19/31/238111931.db2.gz IJNAOINFCIXZRN-HOCLYGCPSA-N 2 1 321.428 3.423 20 0 DGADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432408516 238127578 /nfs/dbraw/zinc/12/75/78/238127578.db2.gz BROUZPWBMVKHMA-KHYOSLBOSA-N 2 1 320.452 3.150 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1Cl ZINC000281303633 216224787 /nfs/dbraw/zinc/22/47/87/216224787.db2.gz KAIXVABNSMEWMJ-UHFFFAOYSA-N 2 1 323.868 3.086 20 0 DGADMP c1cc(C[N@@H+](Cc2cncs2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427639 238304634 /nfs/dbraw/zinc/30/46/34/238304634.db2.gz MWQYRSYBSICBLO-HNNXBMFYSA-N 2 1 319.499 3.349 20 0 DGADMP c1cc(C[N@H+](Cc2cncs2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427639 238304639 /nfs/dbraw/zinc/30/46/39/238304639.db2.gz MWQYRSYBSICBLO-HNNXBMFYSA-N 2 1 319.499 3.349 20 0 DGADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000435442029 238306347 /nfs/dbraw/zinc/30/63/47/238306347.db2.gz IZRRZPAHKPTYIR-MRXNPFEDSA-N 2 1 307.507 3.443 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193337559 201034126 /nfs/dbraw/zinc/03/41/26/201034126.db2.gz ZAHWOGQPEXNPIF-AKPRKHDMSA-N 2 1 302.462 3.195 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000193495478 201063417 /nfs/dbraw/zinc/06/34/17/201063417.db2.gz NGKIKFWGZWKMGY-KBPBESRZSA-N 2 1 302.418 3.434 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000193495478 201063421 /nfs/dbraw/zinc/06/34/21/201063421.db2.gz NGKIKFWGZWKMGY-KBPBESRZSA-N 2 1 302.418 3.434 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271871432 209285198 /nfs/dbraw/zinc/28/51/98/209285198.db2.gz XWANREQORAJPLR-UHFFFAOYSA-N 2 1 324.852 3.099 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000193977732 201156456 /nfs/dbraw/zinc/15/64/56/201156456.db2.gz KOKZDJLTKKKPJQ-BRSBDYLESA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441458576 239054452 /nfs/dbraw/zinc/05/44/52/239054452.db2.gz OYWIWZQWUGFJCH-QYZOEREBSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441458576 239054456 /nfs/dbraw/zinc/05/44/56/239054456.db2.gz OYWIWZQWUGFJCH-QYZOEREBSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCCC[C@H]1C ZINC000442724600 239115782 /nfs/dbraw/zinc/11/57/82/239115782.db2.gz ZVWCASCLKJKYPP-OAGGEKHMSA-N 2 1 311.473 3.488 20 0 DGADMP C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCCC[C@H]1C ZINC000442724600 239115787 /nfs/dbraw/zinc/11/57/87/239115787.db2.gz ZVWCASCLKJKYPP-OAGGEKHMSA-N 2 1 311.473 3.488 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442838564 239134000 /nfs/dbraw/zinc/13/40/00/239134000.db2.gz ACIONZXEVLNMOU-CVEARBPZSA-N 2 1 311.473 3.489 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275521249 212390855 /nfs/dbraw/zinc/39/08/55/212390855.db2.gz LDGHWAFVVRCDBI-GDBMZVCRSA-N 2 1 301.409 3.196 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000246183419 432103382 /nfs/dbraw/zinc/10/33/82/432103382.db2.gz CJVILJUQGDVFSL-KSSFIOAISA-N 2 1 311.429 3.338 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000246183419 432103384 /nfs/dbraw/zinc/10/33/84/432103384.db2.gz CJVILJUQGDVFSL-KSSFIOAISA-N 2 1 311.429 3.338 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000275486483 212365237 /nfs/dbraw/zinc/36/52/37/212365237.db2.gz ITFMMZFKONWPGQ-QWHCGFSZSA-N 2 1 321.371 3.398 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449106314 240019454 /nfs/dbraw/zinc/01/94/54/240019454.db2.gz HLUGSYGUODVCPV-UHFFFAOYSA-N 2 1 316.405 3.244 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000449129306 240031442 /nfs/dbraw/zinc/03/14/42/240031442.db2.gz UZMKYOMBMOCDQO-SZMVWBNQSA-N 2 1 322.518 3.037 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000449129306 240031445 /nfs/dbraw/zinc/03/14/45/240031445.db2.gz UZMKYOMBMOCDQO-SZMVWBNQSA-N 2 1 322.518 3.037 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449081861 240009054 /nfs/dbraw/zinc/00/90/54/240009054.db2.gz IPFUFTTYEIDLQC-CALCHBBNSA-N 2 1 318.509 3.456 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449081861 240009058 /nfs/dbraw/zinc/00/90/58/240009058.db2.gz IPFUFTTYEIDLQC-CALCHBBNSA-N 2 1 318.509 3.456 20 0 DGADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000449087480 240010598 /nfs/dbraw/zinc/01/05/98/240010598.db2.gz VVIZYMYINDRDKW-HZPDHXFCSA-N 2 1 317.477 3.245 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000449086543 240011350 /nfs/dbraw/zinc/01/13/50/240011350.db2.gz CCELISXNUAZQLW-VIHIWDAPSA-N 2 1 306.494 3.473 20 0 DGADMP C[C@H](C[NH2+]Cc1ccnn1C1CCCC1)C[NH+]1CCCCC1 ZINC000449093090 240014351 /nfs/dbraw/zinc/01/43/51/240014351.db2.gz VFDJCAXKXDAAOT-MRXNPFEDSA-N 2 1 304.482 3.210 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000449216146 240072302 /nfs/dbraw/zinc/07/23/02/240072302.db2.gz QBDDHZXYSXNKOU-NDLGOLERSA-N 2 1 316.489 3.443 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000449232702 240082307 /nfs/dbraw/zinc/08/23/07/240082307.db2.gz IWZUPXZRSBHSER-VQTJNVASSA-N 2 1 316.489 3.312 20 0 DGADMP CC1(F)CC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000449375254 240164455 /nfs/dbraw/zinc/16/44/55/240164455.db2.gz FWMPVNUGVDCTNF-UHFFFAOYSA-N 2 1 308.416 3.313 20 0 DGADMP Fc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449399833 240174520 /nfs/dbraw/zinc/17/45/20/240174520.db2.gz DTZBINVRWTVQPE-CHWSQXEVSA-N 2 1 312.816 3.074 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000449400349 240176307 /nfs/dbraw/zinc/17/63/07/240176307.db2.gz ILXSSOVFMXWDTH-UHFFFAOYSA-N 2 1 323.799 3.109 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@H](c2nccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325067 240132249 /nfs/dbraw/zinc/13/22/49/240132249.db2.gz JOOLCXQWAGOHOF-STQMWFEESA-N 2 1 305.372 3.291 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449323844 240132683 /nfs/dbraw/zinc/13/26/83/240132683.db2.gz BDFKUVHHMXMCPY-UHFFFAOYSA-N 2 1 301.438 3.025 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000449323844 240132687 /nfs/dbraw/zinc/13/26/87/240132687.db2.gz BDFKUVHHMXMCPY-UHFFFAOYSA-N 2 1 301.438 3.025 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](COC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000449481641 240233925 /nfs/dbraw/zinc/23/39/25/240233925.db2.gz UWNOOIXRTVOOJN-KYJSFNMBSA-N 2 1 324.896 3.390 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560841 240289395 /nfs/dbraw/zinc/28/93/95/240289395.db2.gz QBKGJNACRDNEIG-VNVJMFPYSA-N 3 1 319.537 3.244 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091285198 193032269 /nfs/dbraw/zinc/03/22/69/193032269.db2.gz AELPFOJCOPYUDM-HXUWFJFHSA-N 2 1 315.505 3.145 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1Br ZINC000091472127 193061481 /nfs/dbraw/zinc/06/14/81/193061481.db2.gz DZZLXLAIQLWHAH-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000271795758 209223904 /nfs/dbraw/zinc/22/39/04/209223904.db2.gz IABHQPBLDGLDRU-UHFFFAOYSA-N 2 1 300.377 3.437 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246241048 432110517 /nfs/dbraw/zinc/11/05/17/432110517.db2.gz RSALAOVKSACADO-WFASDCNBSA-N 2 1 316.367 3.405 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410081 241771501 /nfs/dbraw/zinc/77/15/01/241771501.db2.gz UWCQUFOSARHNRT-MRXNPFEDSA-N 2 1 317.477 3.176 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000246280787 432114702 /nfs/dbraw/zinc/11/47/02/432114702.db2.gz MNNKBOXZTQDHLX-BEFAXECRSA-N 2 1 314.473 3.320 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000246280812 432115605 /nfs/dbraw/zinc/11/56/05/432115605.db2.gz MNNKBOXZTQDHLX-KXBFYZLASA-N 2 1 314.473 3.320 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCC)c2)CC1 ZINC000092165524 193169591 /nfs/dbraw/zinc/16/95/91/193169591.db2.gz ZLARYFOKGHAYFR-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OCC)c2)CC1 ZINC000092165524 193169593 /nfs/dbraw/zinc/16/95/93/193169593.db2.gz ZLARYFOKGHAYFR-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccs2)CC1 ZINC000092165479 193170099 /nfs/dbraw/zinc/17/00/99/193170099.db2.gz LXLSXTKGIVMXTM-UHFFFAOYSA-N 2 1 318.490 3.444 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccs2)CC1 ZINC000092165479 193170101 /nfs/dbraw/zinc/17/01/01/193170101.db2.gz LXLSXTKGIVMXTM-UHFFFAOYSA-N 2 1 318.490 3.444 20 0 DGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000480783228 296123585 /nfs/dbraw/zinc/12/35/85/296123585.db2.gz ZEKBSULDJHNRQL-IEBWSBKVSA-N 2 1 317.521 3.389 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000459360817 243347662 /nfs/dbraw/zinc/34/76/62/243347662.db2.gz VJOOWLZHCJSPEL-UHFFFAOYSA-N 2 1 322.250 3.250 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2cncn2C)CC1)CC(C)C ZINC000459381296 243352942 /nfs/dbraw/zinc/35/29/42/243352942.db2.gz ANIUVYOXRSOBFX-UHFFFAOYSA-N 2 1 320.525 3.043 20 0 DGADMP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459437383 243370311 /nfs/dbraw/zinc/37/03/11/243370311.db2.gz YTGHRXUWBNQUBJ-MJGOQNOKSA-N 2 1 313.445 3.251 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000092745659 193187976 /nfs/dbraw/zinc/18/79/76/193187976.db2.gz ISRGJKDMRCMMOT-PKOBYXMFSA-N 2 1 309.457 3.297 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)Oc1cccc(C)c1 ZINC000246321521 432118730 /nfs/dbraw/zinc/11/87/30/432118730.db2.gz FIMNHUWMZJKFEC-LMMKCTJWSA-N 2 1 304.478 3.472 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261786113 203116063 /nfs/dbraw/zinc/11/60/63/203116063.db2.gz FWZAADQIORMCST-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261785958 203116693 /nfs/dbraw/zinc/11/66/93/203116693.db2.gz FVAWWGDIZULFMO-MRXNPFEDSA-N 2 1 322.880 3.430 20 0 DGADMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1C ZINC000469027420 244081461 /nfs/dbraw/zinc/08/14/61/244081461.db2.gz NDBLZFBBGFBADL-MSOLQXFVSA-N 2 1 303.494 3.141 20 0 DGADMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1cccc(C)c1 ZINC000469078653 244083330 /nfs/dbraw/zinc/08/33/30/244083330.db2.gz ULQDLAXWJKGPRA-MJGOQNOKSA-N 2 1 303.494 3.141 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccsc2)[C@H](C)C1 ZINC000469787559 244122707 /nfs/dbraw/zinc/12/27/07/244122707.db2.gz PNHKSBVTUQNCQL-AEFFLSMTSA-N 2 1 324.534 3.407 20 0 DGADMP C[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000470015160 244139432 /nfs/dbraw/zinc/13/94/32/244139432.db2.gz KZJWCVLVWJRGHI-LBPRGKRZSA-N 2 1 311.267 3.236 20 0 DGADMP C[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000470015159 244140942 /nfs/dbraw/zinc/14/09/42/244140942.db2.gz KZJWCVLVWJRGHI-GFCCVEGCSA-N 2 1 311.267 3.236 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000470181508 244155495 /nfs/dbraw/zinc/15/54/95/244155495.db2.gz DGVGWHIFDUQZKU-DOTOQJQBSA-N 2 1 322.468 3.334 20 0 DGADMP COc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471016056 244201001 /nfs/dbraw/zinc/20/10/01/244201001.db2.gz BMMRQWVVLNAWBY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471016056 244201005 /nfs/dbraw/zinc/20/10/05/244201005.db2.gz BMMRQWVVLNAWBY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471016056 244201009 /nfs/dbraw/zinc/20/10/09/244201009.db2.gz BMMRQWVVLNAWBY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471016056 244201012 /nfs/dbraw/zinc/20/10/12/244201012.db2.gz BMMRQWVVLNAWBY-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000471835400 244256264 /nfs/dbraw/zinc/25/62/64/244256264.db2.gz NZYKHOGJXAEUFS-UYAOXDASSA-N 2 1 309.457 3.254 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000471838408 244257545 /nfs/dbraw/zinc/25/75/45/244257545.db2.gz LYDGEVSTSNTVHK-VQTJNVASSA-N 2 1 316.489 3.085 20 0 DGADMP Cc1cnc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873612 244261222 /nfs/dbraw/zinc/26/12/22/244261222.db2.gz UBOTXRRVXYCJCB-ZWKOTPCHSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cnc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873612 244261226 /nfs/dbraw/zinc/26/12/26/244261226.db2.gz UBOTXRRVXYCJCB-ZWKOTPCHSA-N 2 1 313.445 3.155 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597349 193272875 /nfs/dbraw/zinc/27/28/75/193272875.db2.gz WEDOGFZNUMAUEU-AWEZNQCLSA-N 2 1 316.474 3.056 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597349 193272877 /nfs/dbraw/zinc/27/28/77/193272877.db2.gz WEDOGFZNUMAUEU-AWEZNQCLSA-N 2 1 316.474 3.056 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000094070422 193342975 /nfs/dbraw/zinc/34/29/75/193342975.db2.gz KYXALDIUTJNEEP-UHFFFAOYSA-N 2 1 317.260 3.323 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000423536554 296153223 /nfs/dbraw/zinc/15/32/23/296153223.db2.gz ZPYRIFIWNNQZQS-CJNGLKHVSA-N 2 1 304.434 3.016 20 0 DGADMP CCc1nnc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121672859 284203378 /nfs/dbraw/zinc/20/33/78/284203378.db2.gz NEXITJKXVLNQEK-HNNXBMFYSA-N 2 1 320.481 3.281 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121785067 284205882 /nfs/dbraw/zinc/20/58/82/284205882.db2.gz DRKDYQDATYCXST-LJQANCHMSA-N 2 1 314.473 3.463 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ccc21 ZINC000486984704 245010057 /nfs/dbraw/zinc/01/00/57/245010057.db2.gz TWLAEGFCOYXWBE-RHSMWYFYSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984704 245010058 /nfs/dbraw/zinc/01/00/58/245010058.db2.gz TWLAEGFCOYXWBE-RHSMWYFYSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984704 245010065 /nfs/dbraw/zinc/01/00/65/245010065.db2.gz TWLAEGFCOYXWBE-RHSMWYFYSA-N 2 1 321.428 3.280 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000122904545 284228420 /nfs/dbraw/zinc/22/84/20/284228420.db2.gz HAEMIUDOBVEFHX-QZTJIDSGSA-N 2 1 304.478 3.127 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000122814059 284226258 /nfs/dbraw/zinc/22/62/58/284226258.db2.gz JUUUWWLFSBZZKY-ZBFHGGJFSA-N 2 1 318.461 3.013 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000488122411 245150797 /nfs/dbraw/zinc/15/07/97/245150797.db2.gz VEZYHECADAKHFF-BRSBDYLESA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000488122411 245150800 /nfs/dbraw/zinc/15/08/00/245150800.db2.gz VEZYHECADAKHFF-BRSBDYLESA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1 ZINC000264656723 204058217 /nfs/dbraw/zinc/05/82/17/204058217.db2.gz UOPZLHYETVCQFQ-BVBGJJFLSA-N 2 1 315.461 3.117 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCOC1 ZINC000124333825 284257223 /nfs/dbraw/zinc/25/72/23/284257223.db2.gz UHRRZYPMQZPMIH-MDNKFWRPSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCOC1 ZINC000124333825 284257225 /nfs/dbraw/zinc/25/72/25/284257225.db2.gz UHRRZYPMQZPMIH-MDNKFWRPSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124372572 284258033 /nfs/dbraw/zinc/25/80/33/284258033.db2.gz ZLEXDOMRLMVSLF-GOSISDBHSA-N 2 1 317.521 3.228 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000282484684 217029819 /nfs/dbraw/zinc/02/98/19/217029819.db2.gz QMLGFUUZYUWLDO-DLBZAZTESA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000282484684 217029820 /nfs/dbraw/zinc/02/98/20/217029820.db2.gz QMLGFUUZYUWLDO-DLBZAZTESA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000282484694 217031144 /nfs/dbraw/zinc/03/11/44/217031144.db2.gz QMLGFUUZYUWLDO-SJORKVTESA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000282484694 217031148 /nfs/dbraw/zinc/03/11/48/217031148.db2.gz QMLGFUUZYUWLDO-SJORKVTESA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000282541377 217074988 /nfs/dbraw/zinc/07/49/88/217074988.db2.gz BUSQGANXTLGCJC-UKRRQHHQSA-N 2 1 303.837 3.320 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282573194 217098402 /nfs/dbraw/zinc/09/84/02/217098402.db2.gz ZBNDRDQAXZTKQW-NUJGCVRESA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282573194 217098405 /nfs/dbraw/zinc/09/84/05/217098405.db2.gz ZBNDRDQAXZTKQW-NUJGCVRESA-N 2 1 304.478 3.300 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(OC)c2)[C@@H](C)C1 ZINC000246405831 432127626 /nfs/dbraw/zinc/12/76/26/432127626.db2.gz MBLPVHADRACETM-YJBOKZPZSA-N 2 1 304.478 3.293 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1C ZINC000246428056 432130964 /nfs/dbraw/zinc/13/09/64/432130964.db2.gz NQNSCAMQLWXELB-BSDSXHPESA-N 2 1 304.478 3.471 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772192 432131534 /nfs/dbraw/zinc/13/15/34/432131534.db2.gz MAZKWZSDDSGYLN-ZYSHUDEJSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772192 432131535 /nfs/dbraw/zinc/13/15/35/432131535.db2.gz MAZKWZSDDSGYLN-ZYSHUDEJSA-N 2 1 310.445 3.150 20 0 DGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000268780711 432131930 /nfs/dbraw/zinc/13/19/30/432131930.db2.gz CYGPKAXFNOSCNP-INIZCTEOSA-N 2 1 317.433 3.340 20 0 DGADMP COc1cc([C@H](C)NCCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC000268783548 432133145 /nfs/dbraw/zinc/13/31/45/432133145.db2.gz UVYODZNECLXEQQ-AWEZNQCLSA-N 2 1 324.465 3.093 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC000268783548 432133146 /nfs/dbraw/zinc/13/31/46/432133146.db2.gz UVYODZNECLXEQQ-AWEZNQCLSA-N 2 1 324.465 3.093 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC000268783548 432133148 /nfs/dbraw/zinc/13/31/48/432133148.db2.gz UVYODZNECLXEQQ-AWEZNQCLSA-N 2 1 324.465 3.093 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000494514701 246158033 /nfs/dbraw/zinc/15/80/33/246158033.db2.gz OMNIEKMDHVYPSF-JFIYKMOQSA-N 2 1 304.478 3.391 20 0 DGADMP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000138515724 284524717 /nfs/dbraw/zinc/52/47/17/284524717.db2.gz WTAWZRCCVUQVCE-IRXDYDNUSA-N 2 1 312.461 3.087 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268802657 432138218 /nfs/dbraw/zinc/13/82/18/432138218.db2.gz JTOGVIFZXGYTRL-RDJZCZTQSA-N 2 1 315.486 3.328 20 0 DGADMP Brc1cc(C[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000035251429 182764822 /nfs/dbraw/zinc/76/48/22/182764822.db2.gz GJNGINFMACGNIW-UHFFFAOYSA-N 2 1 317.296 3.476 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268825515 432143294 /nfs/dbraw/zinc/14/32/94/432143294.db2.gz JBCNWBMFZWGULT-IBGZPJMESA-N 2 1 304.478 3.137 20 0 DGADMP CCCc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cs1 ZINC000136089328 432145106 /nfs/dbraw/zinc/14/51/06/432145106.db2.gz OROUMFYGNIPGOY-UKRRQHHQSA-N 2 1 304.463 3.375 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@@H](C)C1 ZINC000246582151 432145862 /nfs/dbraw/zinc/14/58/62/432145862.db2.gz YSQSGGXDCMAWLT-BBRMVZONSA-N 2 1 312.404 3.150 20 0 DGADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268889091 432147414 /nfs/dbraw/zinc/14/74/14/432147414.db2.gz ZQHCSRKJOSUUOU-RDJZCZTQSA-N 2 1 322.518 3.294 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000136185195 432148357 /nfs/dbraw/zinc/14/83/57/432148357.db2.gz UVLNGOIOGVZRHD-INIZCTEOSA-N 2 1 322.880 3.193 20 0 DGADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000271874112 209286634 /nfs/dbraw/zinc/28/66/34/209286634.db2.gz RAAYBMMYGKNVKP-GOSISDBHSA-N 2 1 324.896 3.474 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@H](C)C1 ZINC000274099679 211354682 /nfs/dbraw/zinc/35/46/82/211354682.db2.gz YDAFMLRCRBOYFM-IHJVYAAUSA-N 2 1 316.489 3.137 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000268881338 207051034 /nfs/dbraw/zinc/05/10/34/207051034.db2.gz HVXDMSRCVBZCAY-QZTJIDSGSA-N 2 1 304.478 3.191 20 0 DGADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268889087 207058208 /nfs/dbraw/zinc/05/82/08/207058208.db2.gz ZQHCSRKJOSUUOU-DOTOQJQBSA-N 2 1 322.518 3.294 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902965 207072001 /nfs/dbraw/zinc/07/20/01/207072001.db2.gz PABYBRLHOZTFSF-BPUTZDHNSA-N 2 1 306.450 3.227 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902965 207072006 /nfs/dbraw/zinc/07/20/06/207072006.db2.gz PABYBRLHOZTFSF-BPUTZDHNSA-N 2 1 306.450 3.227 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000268936193 207101321 /nfs/dbraw/zinc/10/13/21/207101321.db2.gz YSBQVJQWARHSCH-KRWDZBQOSA-N 2 1 310.869 3.490 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000268985102 207142721 /nfs/dbraw/zinc/14/27/21/207142721.db2.gz PWFKMOBFJUMULT-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000268985102 207142723 /nfs/dbraw/zinc/14/27/23/207142723.db2.gz PWFKMOBFJUMULT-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000269014087 207166069 /nfs/dbraw/zinc/16/60/69/207166069.db2.gz YAATVHDCJFAXNE-IBGZPJMESA-N 2 1 322.468 3.093 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000269006366 207161145 /nfs/dbraw/zinc/16/11/45/207161145.db2.gz MSNCKJLFDXWSRS-TUFGIGEDSA-N 2 1 302.462 3.391 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000269130789 207264590 /nfs/dbraw/zinc/26/45/90/207264590.db2.gz JXKCTIJTRMAUBQ-IBGZPJMESA-N 2 1 313.445 3.027 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000269129736 207262158 /nfs/dbraw/zinc/26/21/58/207262158.db2.gz IYCAXZFCJPQBAD-HXUWFJFHSA-N 2 1 320.440 3.488 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000269129736 207262163 /nfs/dbraw/zinc/26/21/63/207262163.db2.gz IYCAXZFCJPQBAD-HXUWFJFHSA-N 2 1 320.440 3.488 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791859 296329083 /nfs/dbraw/zinc/32/90/83/296329083.db2.gz SAPIGNDGSVIXHT-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP COc1ccccc1SC[C@@H](C)C[NH2+]CC[NH2+]C(C)(C)C ZINC000415086072 532959854 /nfs/dbraw/zinc/95/98/54/532959854.db2.gz UDZHKCXYZNLGIZ-AWEZNQCLSA-N 2 1 310.507 3.401 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000248678911 285017462 /nfs/dbraw/zinc/01/74/62/285017462.db2.gz BRLQCOYJEFSKDM-CWRNSKLLSA-N 2 1 306.498 3.470 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430572391 532984457 /nfs/dbraw/zinc/98/44/57/532984457.db2.gz OBLUZCNZSUOFLQ-CHWSQXEVSA-N 2 1 316.367 3.143 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000248967284 285041807 /nfs/dbraw/zinc/04/18/07/285041807.db2.gz BXERZGCRFZDVQO-DSJDWBEOSA-N 2 1 316.489 3.300 20 0 DGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cn(C)c2c1 ZINC000249170968 285061618 /nfs/dbraw/zinc/06/16/18/285061618.db2.gz BIVOCPQFJNYTDJ-GPMSIDNRSA-N 2 1 313.489 3.348 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000286114496 218799155 /nfs/dbraw/zinc/79/91/55/218799155.db2.gz NVFFSIKBWYQOBN-VIQWUECVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000336725400 253000296 /nfs/dbraw/zinc/00/02/96/253000296.db2.gz YKSWSHIENVHIJN-BTHPGYMESA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000336725400 253000298 /nfs/dbraw/zinc/00/02/98/253000298.db2.gz YKSWSHIENVHIJN-BTHPGYMESA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000336725400 253000301 /nfs/dbraw/zinc/00/03/01/253000301.db2.gz YKSWSHIENVHIJN-BTHPGYMESA-N 2 1 314.473 3.008 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(F)c1 ZINC000337340526 253091796 /nfs/dbraw/zinc/09/17/96/253091796.db2.gz SUOSHRJUNGKSND-UHFFFAOYSA-N 2 1 321.484 3.064 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000337347058 253093915 /nfs/dbraw/zinc/09/39/15/253093915.db2.gz XDURIAXRAHUADQ-KRWDZBQOSA-N 2 1 304.478 3.097 20 0 DGADMP Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000337658258 253155097 /nfs/dbraw/zinc/15/50/97/253155097.db2.gz ORQDMDXCEVDQQI-UHFFFAOYSA-N 2 1 310.441 3.189 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000338032276 253213391 /nfs/dbraw/zinc/21/33/91/253213391.db2.gz VGVZBFRVIHWRMS-HOCLYGCPSA-N 2 1 312.404 3.258 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000338032276 253213392 /nfs/dbraw/zinc/21/33/92/253213392.db2.gz VGVZBFRVIHWRMS-HOCLYGCPSA-N 2 1 312.404 3.258 20 0 DGADMP FCCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000337999484 253206789 /nfs/dbraw/zinc/20/67/89/253206789.db2.gz UIJYFBUCWCLLCL-DLBZAZTESA-N 2 1 312.473 3.139 20 0 DGADMP FCCC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000337999486 253207018 /nfs/dbraw/zinc/20/70/18/253207018.db2.gz UIJYFBUCWCLLCL-IAGOWNOFSA-N 2 1 312.473 3.139 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)nc(C)[nH+]1 ZINC000338001502 253207658 /nfs/dbraw/zinc/20/76/58/253207658.db2.gz XXYFQIPAQUGKPJ-MSOLQXFVSA-N 2 1 314.477 3.231 20 0 DGADMP Cc1ccc2c(C[NH+]3CCC([NH2+]C(C)C)CC3)ccc(O)c2n1 ZINC000338286307 253257777 /nfs/dbraw/zinc/25/77/77/253257777.db2.gz NTSFJNYASLLQAV-UHFFFAOYSA-N 2 1 313.445 3.211 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991337 197317311 /nfs/dbraw/zinc/31/73/11/197317311.db2.gz HBRHQXKKXQVZIS-MJGOQNOKSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991337 197317313 /nfs/dbraw/zinc/31/73/13/197317313.db2.gz HBRHQXKKXQVZIS-MJGOQNOKSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991201 197316992 /nfs/dbraw/zinc/31/69/92/197316992.db2.gz HBRHQXKKXQVZIS-HKUYNNGSSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991201 197316995 /nfs/dbraw/zinc/31/69/95/197316995.db2.gz HBRHQXKKXQVZIS-HKUYNNGSSA-N 2 1 309.457 3.297 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000158886604 197308157 /nfs/dbraw/zinc/30/81/57/197308157.db2.gz WCVYYDTZRLJXIG-RLFYNMQTSA-N 2 1 317.477 3.244 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000339864891 253535642 /nfs/dbraw/zinc/53/56/42/253535642.db2.gz DFTBULMDTTYGAY-IBGZPJMESA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000342570512 254009550 /nfs/dbraw/zinc/00/95/50/254009550.db2.gz CIIUUDCRDIZASU-AWEZNQCLSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000342570512 254009552 /nfs/dbraw/zinc/00/95/52/254009552.db2.gz CIIUUDCRDIZASU-AWEZNQCLSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000342570512 254009555 /nfs/dbraw/zinc/00/95/55/254009555.db2.gz CIIUUDCRDIZASU-AWEZNQCLSA-N 2 1 311.267 3.223 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000342620766 254020131 /nfs/dbraw/zinc/02/01/31/254020131.db2.gz ADZBFSGNXZMYSE-LJQANCHMSA-N 2 1 315.505 3.102 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCC2(C)C)[C@@H](c2ccccc2)C1 ZINC000342663590 254028198 /nfs/dbraw/zinc/02/81/98/254028198.db2.gz JJDBUIZEPFINEP-MOPGFXCFSA-N 2 1 315.505 3.143 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000342812702 254056970 /nfs/dbraw/zinc/05/69/70/254056970.db2.gz MDGXXWWCABWGDF-HUUCEWRRSA-N 2 1 308.853 3.455 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000342812702 254056972 /nfs/dbraw/zinc/05/69/72/254056972.db2.gz MDGXXWWCABWGDF-HUUCEWRRSA-N 2 1 308.853 3.455 20 0 DGADMP CC(C)[C@H]1CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000342851632 254065216 /nfs/dbraw/zinc/06/52/16/254065216.db2.gz RAZCYGRBMZKHJX-LJQANCHMSA-N 2 1 315.505 3.447 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000343442458 254143779 /nfs/dbraw/zinc/14/37/79/254143779.db2.gz IVPISWWTRCDYPH-ZJPYXAASSA-N 2 1 301.478 3.489 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000343442458 254143781 /nfs/dbraw/zinc/14/37/81/254143781.db2.gz IVPISWWTRCDYPH-ZJPYXAASSA-N 2 1 301.478 3.489 20 0 DGADMP Cc1c[nH+]ccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343624796 254169290 /nfs/dbraw/zinc/16/92/90/254169290.db2.gz HZDJXFMBTNTZBR-FQEVSTJZSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc[nH+]1 ZINC000343641382 254171975 /nfs/dbraw/zinc/17/19/75/254171975.db2.gz ZSKAGHHEMWVZMO-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343835950 254194327 /nfs/dbraw/zinc/19/43/27/254194327.db2.gz NKVUQGODWOKIEV-BETUJISGSA-N 2 1 323.868 3.213 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343835950 254194328 /nfs/dbraw/zinc/19/43/28/254194328.db2.gz NKVUQGODWOKIEV-BETUJISGSA-N 2 1 323.868 3.213 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000343940408 254204839 /nfs/dbraw/zinc/20/48/39/254204839.db2.gz SHZURMHSSYXQBE-SIZVQLJJSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@H]1C[C@H](NCc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686405 254296053 /nfs/dbraw/zinc/29/60/53/254296053.db2.gz RDBCERGDKBMPPZ-NWDGAFQWSA-N 2 1 307.488 3.444 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CCN1C ZINC000344686405 254296055 /nfs/dbraw/zinc/29/60/55/254296055.db2.gz RDBCERGDKBMPPZ-NWDGAFQWSA-N 2 1 307.488 3.444 20 0 DGADMP CC[N@@H+]1C[C@H](NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000344370030 254263084 /nfs/dbraw/zinc/26/30/84/254263084.db2.gz MISLDFGMIVIFAP-ZWOKBUDYSA-N 2 1 315.505 3.142 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(C)CCOC1 ZINC000344381910 254264490 /nfs/dbraw/zinc/26/44/90/254264490.db2.gz NJCYLPSRJXSESY-IBGZPJMESA-N 2 1 304.478 3.161 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000344493372 254276943 /nfs/dbraw/zinc/27/69/43/254276943.db2.gz FPYDTDYFMBQTQK-OKZBNKHCSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000344493372 254276944 /nfs/dbraw/zinc/27/69/44/254276944.db2.gz FPYDTDYFMBQTQK-OKZBNKHCSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)sc1Br ZINC000345173528 254336708 /nfs/dbraw/zinc/33/67/08/254336708.db2.gz XYBLQIUTHPHGSH-UHFFFAOYSA-N 2 1 315.280 3.171 20 0 DGADMP CCCOc1c(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1OCC ZINC000344686450 254296229 /nfs/dbraw/zinc/29/62/29/254296229.db2.gz RVFBUZGSYFDCHD-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cccc1OCC ZINC000344686450 254296230 /nfs/dbraw/zinc/29/62/30/254296230.db2.gz RVFBUZGSYFDCHD-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000344691211 254296359 /nfs/dbraw/zinc/29/63/59/254296359.db2.gz XPXGNMHEVREZIJ-ZBFHGGJFSA-N 2 1 306.450 3.056 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000344691211 254296361 /nfs/dbraw/zinc/29/63/61/254296361.db2.gz XPXGNMHEVREZIJ-ZBFHGGJFSA-N 2 1 306.450 3.056 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345192349 254339459 /nfs/dbraw/zinc/33/94/59/254339459.db2.gz STBMKDMHIFSPIL-OAHLLOKOSA-N 2 1 311.267 3.413 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000156598620 197126213 /nfs/dbraw/zinc/12/62/13/197126213.db2.gz PYHWJHXREDSAPO-HKUYNNGSSA-N 2 1 309.457 3.297 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278978557 285220923 /nfs/dbraw/zinc/22/09/23/285220923.db2.gz OKFVQSGUXAHQFE-DOTOQJQBSA-N 2 1 311.429 3.257 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000120671407 195213437 /nfs/dbraw/zinc/21/34/37/195213437.db2.gz RASNGBPYZFBSPO-CQSZACIVSA-N 2 1 303.450 3.170 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnccc2C)[C@@H](C)C1 ZINC000271574516 209025173 /nfs/dbraw/zinc/02/51/73/209025173.db2.gz QEFCZTLNSFMNGD-SCTDSRPQSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnccc2C)[C@@H](C)C1 ZINC000271574516 209025177 /nfs/dbraw/zinc/02/51/77/209025177.db2.gz QEFCZTLNSFMNGD-SCTDSRPQSA-N 2 1 319.493 3.178 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000289506437 221026310 /nfs/dbraw/zinc/02/63/10/221026310.db2.gz DZFXCRPNYRJNMC-GOSISDBHSA-N 2 1 301.478 3.130 20 0 DGADMP O[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000289498005 221021263 /nfs/dbraw/zinc/02/12/63/221021263.db2.gz SMNNGEOAXTXYTN-OAQYLSRUSA-N 2 1 324.468 3.364 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1O ZINC000289794968 221231481 /nfs/dbraw/zinc/23/14/81/221231481.db2.gz OPWNNLBPXSAWQG-OAHLLOKOSA-N 2 1 306.450 3.173 20 0 DGADMP COc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1OC ZINC000352534920 285353106 /nfs/dbraw/zinc/35/31/06/285353106.db2.gz KQYDWMBREMJUDQ-UHFFFAOYSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352540911 285355448 /nfs/dbraw/zinc/35/54/48/285355448.db2.gz REDZVOWCGLBUOX-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352540911 285355450 /nfs/dbraw/zinc/35/54/50/285355450.db2.gz REDZVOWCGLBUOX-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)CC1CCCC1 ZINC000352540047 285355509 /nfs/dbraw/zinc/35/55/09/285355509.db2.gz GNWWSBIBCDJNLL-UHFFFAOYSA-N 2 1 312.461 3.418 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189217757 285366371 /nfs/dbraw/zinc/36/63/71/285366371.db2.gz ZSPWYIRRKFDQEA-RBUKOAKNSA-N 2 1 314.473 3.066 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123871 533629268 /nfs/dbraw/zinc/62/92/68/533629268.db2.gz MRNFUSJPLPTWEW-SFHVURJKSA-N 2 1 324.415 3.432 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123871 533629272 /nfs/dbraw/zinc/62/92/72/533629272.db2.gz MRNFUSJPLPTWEW-SFHVURJKSA-N 2 1 324.415 3.432 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123871 533629275 /nfs/dbraw/zinc/62/92/75/533629275.db2.gz MRNFUSJPLPTWEW-SFHVURJKSA-N 2 1 324.415 3.432 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123871 533629279 /nfs/dbraw/zinc/62/92/79/533629279.db2.gz MRNFUSJPLPTWEW-SFHVURJKSA-N 2 1 324.415 3.432 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1C[NH3+] ZINC000415138959 533639774 /nfs/dbraw/zinc/63/97/74/533639774.db2.gz ZJQUMNFZPFXLDZ-GXTWGEPZSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C[C@H]1C[NH3+] ZINC000415122757 533641454 /nfs/dbraw/zinc/64/14/54/533641454.db2.gz IPKSXMQCRWSHGZ-NWDGAFQWSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C[C@H]1C[NH3+] ZINC000415122757 533641462 /nfs/dbraw/zinc/64/14/62/533641462.db2.gz IPKSXMQCRWSHGZ-NWDGAFQWSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@H]1C[NH3+] ZINC000415121912 533642544 /nfs/dbraw/zinc/64/25/44/533642544.db2.gz HSXXLIOZNGTIMS-WCQYABFASA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C[C@H]1C[NH3+] ZINC000415121912 533642553 /nfs/dbraw/zinc/64/25/53/533642553.db2.gz HSXXLIOZNGTIMS-WCQYABFASA-N 2 1 307.488 3.288 20 0 DGADMP Cc1cnccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584820277 400109178 /nfs/dbraw/zinc/10/91/78/400109178.db2.gz AKEWQYLEHUORON-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584820277 400109185 /nfs/dbraw/zinc/10/91/85/400109185.db2.gz AKEWQYLEHUORON-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584820277 400109194 /nfs/dbraw/zinc/10/91/94/400109194.db2.gz AKEWQYLEHUORON-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500467 400081126 /nfs/dbraw/zinc/08/11/26/400081126.db2.gz SVQDQTTZOVMMOW-BTHPGYMESA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500467 400081129 /nfs/dbraw/zinc/08/11/29/400081129.db2.gz SVQDQTTZOVMMOW-BTHPGYMESA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000608500467 400081132 /nfs/dbraw/zinc/08/11/32/400081132.db2.gz SVQDQTTZOVMMOW-BTHPGYMESA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000608500467 400081135 /nfs/dbraw/zinc/08/11/35/400081135.db2.gz SVQDQTTZOVMMOW-BTHPGYMESA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+](CC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@@H](C)O1 ZINC000091478530 400122545 /nfs/dbraw/zinc/12/25/45/400122545.db2.gz IHQLZPDTPCDPJI-ZIAGYGMSSA-N 2 1 323.868 3.061 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314705177 400140367 /nfs/dbraw/zinc/14/03/67/400140367.db2.gz BDQKCPCWWLIIFS-AEFFLSMTSA-N 2 1 304.478 3.336 20 0 DGADMP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000067384775 400167272 /nfs/dbraw/zinc/16/72/72/400167272.db2.gz KVLYUUDEAGYQPL-SFHVURJKSA-N 2 1 310.445 3.418 20 0 DGADMP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000067384775 400167276 /nfs/dbraw/zinc/16/72/76/400167276.db2.gz KVLYUUDEAGYQPL-SFHVURJKSA-N 2 1 310.445 3.418 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)n1-c1ccccc1 ZINC000321554027 400171110 /nfs/dbraw/zinc/17/11/10/400171110.db2.gz HFAGKLOKYQVQBU-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)n1-c1ccccc1 ZINC000321554027 400171117 /nfs/dbraw/zinc/17/11/17/400171117.db2.gz HFAGKLOKYQVQBU-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690225 400224229 /nfs/dbraw/zinc/22/42/29/400224229.db2.gz CURTUZOABXDNOX-PZJWPPBQSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690225 400224232 /nfs/dbraw/zinc/22/42/32/400224232.db2.gz CURTUZOABXDNOX-PZJWPPBQSA-N 2 1 324.468 3.065 20 0 DGADMP COc1nc2ccccc2cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088839 400224726 /nfs/dbraw/zinc/22/47/26/400224726.db2.gz GNQNWJSQGKUFRK-UHFFFAOYSA-N 2 1 313.445 3.017 20 0 DGADMP CC[C@H](CSC)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000589206592 400277196 /nfs/dbraw/zinc/27/71/96/400277196.db2.gz UQHUUKNKLWZIPH-MRXNPFEDSA-N 2 1 310.507 3.200 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000400684279 400289803 /nfs/dbraw/zinc/28/98/03/400289803.db2.gz XFFXHWPCFRHTNP-RBUKOAKNSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000400684279 400289811 /nfs/dbraw/zinc/28/98/11/400289811.db2.gz XFFXHWPCFRHTNP-RBUKOAKNSA-N 2 1 316.489 3.303 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CCCn3ccnc3)c2C1 ZINC000589407080 400293932 /nfs/dbraw/zinc/29/39/32/400293932.db2.gz GQYNOWHLQRSROE-UHFFFAOYSA-N 2 1 312.417 3.028 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccns1 ZINC000404454912 400295346 /nfs/dbraw/zinc/29/53/46/400295346.db2.gz IUNPVLGKOFJNGB-WMLDXEAASA-N 2 1 301.459 3.143 20 0 DGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404454912 400295351 /nfs/dbraw/zinc/29/53/51/400295351.db2.gz IUNPVLGKOFJNGB-WMLDXEAASA-N 2 1 301.459 3.143 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000589641432 400315140 /nfs/dbraw/zinc/31/51/40/400315140.db2.gz KTGNLIWRHDEWHS-GJZGRUSLSA-N 2 1 300.450 3.021 20 0 DGADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596093725 400315546 /nfs/dbraw/zinc/31/55/46/400315546.db2.gz FNOCCZGVZSIWGK-RDJZCZTQSA-N 2 1 324.509 3.066 20 0 DGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000112657960 400375488 /nfs/dbraw/zinc/37/54/88/400375488.db2.gz PKPNLEFOBFUEML-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000112657960 400375490 /nfs/dbraw/zinc/37/54/90/400375490.db2.gz PKPNLEFOBFUEML-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000112657960 400375493 /nfs/dbraw/zinc/37/54/93/400375493.db2.gz PKPNLEFOBFUEML-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cn2c1 ZINC000590818976 400442077 /nfs/dbraw/zinc/44/20/77/400442077.db2.gz NRJKEVGMESSVTD-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP Brc1ccccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591083254 400484336 /nfs/dbraw/zinc/48/43/36/400484336.db2.gz STTRFYWMBNHFAB-AWEZNQCLSA-N 2 1 320.234 3.483 20 0 DGADMP Brc1ccccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000591083254 400484341 /nfs/dbraw/zinc/48/43/41/400484341.db2.gz STTRFYWMBNHFAB-AWEZNQCLSA-N 2 1 320.234 3.483 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602668099 400531195 /nfs/dbraw/zinc/53/11/95/400531195.db2.gz TUAQBMLLJAGDPB-SZMVWBNQSA-N 2 1 318.461 3.142 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602668099 400531198 /nfs/dbraw/zinc/53/11/98/400531198.db2.gz TUAQBMLLJAGDPB-SZMVWBNQSA-N 2 1 318.461 3.142 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000591869293 400568298 /nfs/dbraw/zinc/56/82/98/400568298.db2.gz OTNZBDDVIIAMBB-AWEZNQCLSA-N 2 1 307.344 3.322 20 0 DGADMP c1cn([C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)cn1 ZINC000591866949 400568422 /nfs/dbraw/zinc/56/84/22/400568422.db2.gz KXSROCKMZHIJKB-KRWDZBQOSA-N 2 1 308.385 3.375 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)cn1 ZINC000591866949 400568428 /nfs/dbraw/zinc/56/84/28/400568428.db2.gz KXSROCKMZHIJKB-KRWDZBQOSA-N 2 1 308.385 3.375 20 0 DGADMP CC[NH+](CC)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000150033241 400662903 /nfs/dbraw/zinc/66/29/03/400662903.db2.gz GPUKDZWDOQILOR-INIZCTEOSA-N 2 1 317.477 3.341 20 0 DGADMP CCCC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000157439348 400716797 /nfs/dbraw/zinc/71/67/97/400716797.db2.gz ADRDBOLTSVFCSV-GOEBONIOSA-N 2 1 312.498 3.207 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593095454 400761437 /nfs/dbraw/zinc/76/14/37/400761437.db2.gz MLARZDKVOMYBFZ-JKSUJKDBSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593095454 400761442 /nfs/dbraw/zinc/76/14/42/400761442.db2.gz MLARZDKVOMYBFZ-JKSUJKDBSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593095454 400761449 /nfs/dbraw/zinc/76/14/49/400761449.db2.gz MLARZDKVOMYBFZ-JKSUJKDBSA-N 2 1 310.482 3.057 20 0 DGADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000599053164 400939489 /nfs/dbraw/zinc/93/94/89/400939489.db2.gz FOHGJOXQTJEELL-OFLPRAFFSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000599053164 400939496 /nfs/dbraw/zinc/93/94/96/400939496.db2.gz FOHGJOXQTJEELL-OFLPRAFFSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358157786 285985781 /nfs/dbraw/zinc/98/57/81/285985781.db2.gz PABOKLSOOALLSM-KDOFPFPSSA-N 2 1 301.434 3.382 20 0 DGADMP [NH3+]CC1CCC([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000629515834 400954222 /nfs/dbraw/zinc/95/42/22/400954222.db2.gz XIRWYMNDVFCGIA-PUJMQQBBSA-N 2 1 308.853 3.311 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629655983 401019668 /nfs/dbraw/zinc/01/96/68/401019668.db2.gz ZFZNMBJUCDEWSU-YHUYYLMFSA-N 2 1 312.379 3.249 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000599317448 401019739 /nfs/dbraw/zinc/01/97/39/401019739.db2.gz BCTPVRINMCNPCC-IXDOHACOSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000599317448 401019750 /nfs/dbraw/zinc/01/97/50/401019750.db2.gz BCTPVRINMCNPCC-IXDOHACOSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000599317448 401019757 /nfs/dbraw/zinc/01/97/57/401019757.db2.gz BCTPVRINMCNPCC-IXDOHACOSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000599317448 401019764 /nfs/dbraw/zinc/01/97/64/401019764.db2.gz BCTPVRINMCNPCC-IXDOHACOSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000599317448 401019773 /nfs/dbraw/zinc/01/97/73/401019773.db2.gz BCTPVRINMCNPCC-IXDOHACOSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000599317442 401020374 /nfs/dbraw/zinc/02/03/74/401020374.db2.gz BCTPVRINMCNPCC-BRWVUGGUSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000599317442 401020376 /nfs/dbraw/zinc/02/03/76/401020376.db2.gz BCTPVRINMCNPCC-BRWVUGGUSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000599317442 401020385 /nfs/dbraw/zinc/02/03/85/401020385.db2.gz BCTPVRINMCNPCC-BRWVUGGUSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000599317442 401020394 /nfs/dbraw/zinc/02/03/94/401020394.db2.gz BCTPVRINMCNPCC-BRWVUGGUSA-N 2 1 324.509 3.159 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000599317442 401020401 /nfs/dbraw/zinc/02/04/01/401020401.db2.gz BCTPVRINMCNPCC-BRWVUGGUSA-N 2 1 324.509 3.159 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629653318 401020594 /nfs/dbraw/zinc/02/05/94/401020594.db2.gz DWXURQFCICVYJH-JSGCOSHPSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629653318 401020597 /nfs/dbraw/zinc/02/05/97/401020597.db2.gz DWXURQFCICVYJH-JSGCOSHPSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000629534385 400963727 /nfs/dbraw/zinc/96/37/27/400963727.db2.gz XXBGBMVXDFFKLU-VQIMIIECSA-N 2 1 301.478 3.477 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCSc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561250 400974920 /nfs/dbraw/zinc/97/49/20/400974920.db2.gz IAZURDQLSSWZPK-GXTWGEPZSA-N 2 1 318.408 3.238 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCSc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561250 400974928 /nfs/dbraw/zinc/97/49/28/400974928.db2.gz IAZURDQLSSWZPK-GXTWGEPZSA-N 2 1 318.408 3.238 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565794 400980091 /nfs/dbraw/zinc/98/00/91/400980091.db2.gz XFYTWJNAHBGKJL-UKRRQHHQSA-N 2 1 300.368 3.263 20 0 DGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC[NH2+]C)c2)cc1 ZINC000629707331 401052049 /nfs/dbraw/zinc/05/20/49/401052049.db2.gz JYIXHYBAKDTMNP-LJQANCHMSA-N 2 1 312.461 3.144 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)[C@@H](C)C1 ZINC000248886589 401079565 /nfs/dbraw/zinc/07/95/65/401079565.db2.gz QTSHPFBPDXLYAO-WMZOPIPTSA-N 2 1 316.489 3.437 20 0 DGADMP C[C@@H]1CC[NH+](CCCC[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000249084149 401081785 /nfs/dbraw/zinc/08/17/85/401081785.db2.gz SCBZFGJPBLITTE-HZPDHXFCSA-N 2 1 316.580 3.421 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cc(C)cc(C)c2)C[C@H]1C ZINC000607155543 401024869 /nfs/dbraw/zinc/02/48/69/401024869.db2.gz JIWQKIIHDWJHOF-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cc(C)cc(C)c2)C[C@H]1C ZINC000607155543 401024873 /nfs/dbraw/zinc/02/48/73/401024873.db2.gz JIWQKIIHDWJHOF-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)C[C@H]1C ZINC000607155543 401024876 /nfs/dbraw/zinc/02/48/76/401024876.db2.gz JIWQKIIHDWJHOF-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cc(C)cc(C)c2)C[C@@H]1C ZINC000607155544 401025331 /nfs/dbraw/zinc/02/53/31/401025331.db2.gz JIWQKIIHDWJHOF-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cc(C)cc(C)c2)C[C@@H]1C ZINC000607155544 401025335 /nfs/dbraw/zinc/02/53/35/401025335.db2.gz JIWQKIIHDWJHOF-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)C[C@@H]1C ZINC000607155544 401025345 /nfs/dbraw/zinc/02/53/45/401025345.db2.gz JIWQKIIHDWJHOF-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC(C)C ZINC000058061100 401041661 /nfs/dbraw/zinc/04/16/61/401041661.db2.gz NLNXXBWVAYYKFQ-KRWDZBQOSA-N 2 1 320.477 3.302 20 0 DGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000629946822 401129296 /nfs/dbraw/zinc/12/92/96/401129296.db2.gz AOVULINNCKHLJA-UHFFFAOYSA-N 2 1 315.461 3.095 20 0 DGADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)ccn1 ZINC000621294149 401156596 /nfs/dbraw/zinc/15/65/96/401156596.db2.gz UJBRVPFMOMUVRS-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP CCOc1cncc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000621328941 401168256 /nfs/dbraw/zinc/16/82/56/401168256.db2.gz JHWJJGZMXCVVFP-INIZCTEOSA-N 2 1 305.466 3.082 20 0 DGADMP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000090593142 401270264 /nfs/dbraw/zinc/27/02/64/401270264.db2.gz MNSMEDFRSJCEEX-MJGOQNOKSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000089721508 401236473 /nfs/dbraw/zinc/23/64/73/401236473.db2.gz BQBSMEGAPQGADZ-LSTHTHJFSA-N 2 1 316.489 3.401 20 0 DGADMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000066243291 401297479 /nfs/dbraw/zinc/29/74/79/401297479.db2.gz XTXGVRDKQRBAJQ-UHFFFAOYSA-N 2 1 308.429 3.071 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635003499 401399317 /nfs/dbraw/zinc/39/93/17/401399317.db2.gz DMYFITZHWLDCFF-HNBVOPMISA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635003499 401399320 /nfs/dbraw/zinc/39/93/20/401399320.db2.gz DMYFITZHWLDCFF-HNBVOPMISA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000635010348 401402475 /nfs/dbraw/zinc/40/24/75/401402475.db2.gz JWHCSYFZUHXGDO-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CN1Cc1ccccc1 ZINC000635010348 401402479 /nfs/dbraw/zinc/40/24/79/401402479.db2.gz JWHCSYFZUHXGDO-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000635012210 401403802 /nfs/dbraw/zinc/40/38/02/401403802.db2.gz JNALMJWTTVSPMG-GXFFZTMASA-N 2 1 318.795 3.419 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000631195031 401422984 /nfs/dbraw/zinc/42/29/84/401422984.db2.gz AFVFCHQHHXXNIF-HKUYNNGSSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000631195031 401422985 /nfs/dbraw/zinc/42/29/85/401422985.db2.gz AFVFCHQHHXXNIF-HKUYNNGSSA-N 2 1 309.457 3.248 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196370 401423678 /nfs/dbraw/zinc/42/36/78/401423678.db2.gz QODZPNXSAYDRKG-AEFFLSMTSA-N 2 1 304.478 3.017 20 0 DGADMP CCOCCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471862272 286056705 /nfs/dbraw/zinc/05/67/05/286056705.db2.gz QVMBSXXVLJIVBF-RTBURBONSA-N 2 1 304.478 3.085 20 0 DGADMP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(OC)c1OC ZINC000631561437 401497160 /nfs/dbraw/zinc/49/71/60/401497160.db2.gz FAKLCXRKPFQDRB-OAHLLOKOSA-N 2 1 308.466 3.332 20 0 DGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[N@H+](C)CC(C)(C)C)ccc21 ZINC000635996072 401514320 /nfs/dbraw/zinc/51/43/20/401514320.db2.gz AQFPGCVBYLVODZ-KRWDZBQOSA-N 2 1 317.477 3.152 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631671172 401531531 /nfs/dbraw/zinc/53/15/31/401531531.db2.gz YWHFMLLKTAIEAJ-WTGUMLROSA-N 2 1 316.489 3.323 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000623657680 401563665 /nfs/dbraw/zinc/56/36/65/401563665.db2.gz WMDUMTNOYGPRMT-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000623657680 401563668 /nfs/dbraw/zinc/56/36/68/401563668.db2.gz WMDUMTNOYGPRMT-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000623857017 401589099 /nfs/dbraw/zinc/58/90/99/401589099.db2.gz GNTWFOMANIWIRY-OAHLLOKOSA-N 2 1 301.459 3.372 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000628188293 401545888 /nfs/dbraw/zinc/54/58/88/401545888.db2.gz VMZLPADUQILKFY-INIZCTEOSA-N 2 1 304.482 3.195 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000628188293 401545892 /nfs/dbraw/zinc/54/58/92/401545892.db2.gz VMZLPADUQILKFY-INIZCTEOSA-N 2 1 304.482 3.195 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000628204436 401549651 /nfs/dbraw/zinc/54/96/51/401549651.db2.gz XVMHPPSQOKGLFN-HZPDHXFCSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631755092 401550281 /nfs/dbraw/zinc/55/02/81/401550281.db2.gz YEFMVPFBUHYVAT-DTZQCDIJSA-N 2 1 312.379 3.437 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628230277 401555352 /nfs/dbraw/zinc/55/53/52/401555352.db2.gz AVFQFQUVGCKJLP-INIZCTEOSA-N 2 1 312.461 3.087 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628230277 401555356 /nfs/dbraw/zinc/55/53/56/401555356.db2.gz AVFQFQUVGCKJLP-INIZCTEOSA-N 2 1 312.461 3.087 20 0 DGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123174 401628914 /nfs/dbraw/zinc/62/89/14/401628914.db2.gz HDXKRCATMACIHB-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123174 401628915 /nfs/dbraw/zinc/62/89/15/401628915.db2.gz HDXKRCATMACIHB-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123174 401628916 /nfs/dbraw/zinc/62/89/16/401628916.db2.gz HDXKRCATMACIHB-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122935 401628975 /nfs/dbraw/zinc/62/89/75/401628975.db2.gz BHMJPBZZJIIURY-BXUZGUMPSA-N 2 1 312.379 3.413 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624124116 401629655 /nfs/dbraw/zinc/62/96/55/401629655.db2.gz XSFGSFBSMGAPDT-HOTGVXAUSA-N 2 1 320.477 3.395 20 0 DGADMP c1ccc(-c2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccn2)cc1 ZINC000624267424 401645570 /nfs/dbraw/zinc/64/55/70/401645570.db2.gz MQSWBEKCOANIIN-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358521176 286082819 /nfs/dbraw/zinc/08/28/19/286082819.db2.gz XEVZUCRPWYHIQC-UHFFFAOYSA-N 2 1 302.462 3.148 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358672185 286120954 /nfs/dbraw/zinc/12/09/54/286120954.db2.gz DPVJXSMWJQFMDK-WMZOPIPTSA-N 2 1 304.478 3.180 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358672185 286120955 /nfs/dbraw/zinc/12/09/55/286120955.db2.gz DPVJXSMWJQFMDK-WMZOPIPTSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358915423 286186478 /nfs/dbraw/zinc/18/64/78/286186478.db2.gz ONYBHEQJIVLICA-WBVHZDCISA-N 2 1 304.482 3.042 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359117270 286241105 /nfs/dbraw/zinc/24/11/05/286241105.db2.gz SHBDEQFVVBZTPE-GTAWCEEGSA-N 2 1 319.537 3.246 20 0 DGADMP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359407863 286301530 /nfs/dbraw/zinc/30/15/30/286301530.db2.gz ANZGQCOBNBPTEW-OALUTQOASA-N 2 1 302.462 3.187 20 0 DGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1 ZINC000359459976 286313031 /nfs/dbraw/zinc/31/30/31/286313031.db2.gz PGPYOCWJIXIWCW-UHFFFAOYSA-N 2 1 320.440 3.428 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1 ZINC000359459976 286313033 /nfs/dbraw/zinc/31/30/33/286313033.db2.gz PGPYOCWJIXIWCW-UHFFFAOYSA-N 2 1 320.440 3.428 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)n1 ZINC000359735494 286370507 /nfs/dbraw/zinc/37/05/07/286370507.db2.gz MEUVPITYJJSTAY-DOTOQJQBSA-N 2 1 305.466 3.080 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119661925 292336573 /nfs/dbraw/zinc/33/65/73/292336573.db2.gz ZMJUJDNTSXMTFR-SFHVURJKSA-N 2 1 300.446 3.425 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186562282 165050250 /nfs/dbraw/zinc/05/02/50/165050250.db2.gz COXGSWPESVCYKB-MRXNPFEDSA-N 2 1 301.459 3.063 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186562282 165050251 /nfs/dbraw/zinc/05/02/51/165050251.db2.gz COXGSWPESVCYKB-MRXNPFEDSA-N 2 1 301.459 3.063 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190348712 165198475 /nfs/dbraw/zinc/19/84/75/165198475.db2.gz ZSSNHHCPILYBJM-QRVBRYPASA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000190800379 165217683 /nfs/dbraw/zinc/21/76/83/165217683.db2.gz HVRZBJGGMPGLOD-QGZVFWFLSA-N 2 1 318.509 3.138 20 0 DGADMP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1C ZINC000192677777 165302241 /nfs/dbraw/zinc/30/22/41/165302241.db2.gz HSMGUGVVSOEBNP-AYHJJNSGSA-N 2 1 301.478 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000192933387 165309862 /nfs/dbraw/zinc/30/98/62/165309862.db2.gz DUETVJXMDAMMJA-KRWDZBQOSA-N 2 1 324.424 3.027 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000192933387 165309866 /nfs/dbraw/zinc/30/98/66/165309866.db2.gz DUETVJXMDAMMJA-KRWDZBQOSA-N 2 1 324.424 3.027 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000221787035 165380353 /nfs/dbraw/zinc/38/03/53/165380353.db2.gz HVCLSXXHTYXEQJ-UHFFFAOYSA-N 2 1 317.246 3.408 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000221787035 165380357 /nfs/dbraw/zinc/38/03/57/165380357.db2.gz HVCLSXXHTYXEQJ-UHFFFAOYSA-N 2 1 317.246 3.408 20 0 DGADMP Cc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000365390224 287127188 /nfs/dbraw/zinc/12/71/88/287127188.db2.gz LRSYODQTMIFXOB-AYHJJNSGSA-N 2 1 302.462 3.287 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262530514 287139027 /nfs/dbraw/zinc/13/90/27/287139027.db2.gz PLYYBYQXHJTTLH-SWLSCSKDSA-N 2 1 314.351 3.332 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000365850186 287180577 /nfs/dbraw/zinc/18/05/77/287180577.db2.gz VNKCKLVNWKIUCK-QRVBRYPASA-N 2 1 319.493 3.377 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000365850186 287180580 /nfs/dbraw/zinc/18/05/80/287180580.db2.gz VNKCKLVNWKIUCK-QRVBRYPASA-N 2 1 319.493 3.377 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129439099 196048528 /nfs/dbraw/zinc/04/85/28/196048528.db2.gz VQSNNYRNVNHXKB-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129439099 196048530 /nfs/dbraw/zinc/04/85/30/196048530.db2.gz VQSNNYRNVNHXKB-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182235734 432169772 /nfs/dbraw/zinc/16/97/72/432169772.db2.gz HTBNFKIQSHPRTH-TXPKVOOTSA-N 2 1 304.478 3.168 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246847139 432172443 /nfs/dbraw/zinc/17/24/43/432172443.db2.gz CJRVRWIJQJHWCA-RYQLBKOJSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246847139 432172446 /nfs/dbraw/zinc/17/24/46/432172446.db2.gz CJRVRWIJQJHWCA-RYQLBKOJSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246847139 432172451 /nfs/dbraw/zinc/17/24/51/432172451.db2.gz CJRVRWIJQJHWCA-RYQLBKOJSA-N 2 1 323.550 3.451 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246851332 432172467 /nfs/dbraw/zinc/17/24/67/432172467.db2.gz COHNVWMSDWRTBT-ZHALLVOQSA-N 2 1 304.478 3.472 20 0 DGADMP Cc1nc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cs1 ZINC000269456743 432175839 /nfs/dbraw/zinc/17/58/39/432175839.db2.gz WXAALHYBURGMTG-ZDUSSCGKSA-N 2 1 319.474 3.243 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000190728702 432185561 /nfs/dbraw/zinc/18/55/61/432185561.db2.gz OBJISQYMEXMCQG-UHFFFAOYSA-N 2 1 320.440 3.224 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000246955391 432185491 /nfs/dbraw/zinc/18/54/91/432185491.db2.gz HOKRMPOSBKCINA-ZVZYQTTQSA-N 2 1 313.445 3.382 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247067576 432198669 /nfs/dbraw/zinc/19/86/69/432198669.db2.gz ODBSXLFJRLKMOB-YJBOKZPZSA-N 2 1 304.503 3.339 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2ccccc2OC)C1 ZINC000182519322 432200234 /nfs/dbraw/zinc/20/02/34/432200234.db2.gz XLEHCXPTEZLFBX-KRWDZBQOSA-N 2 1 304.478 3.292 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@@H](C)C1 ZINC000247015755 432192884 /nfs/dbraw/zinc/19/28/84/432192884.db2.gz KOQYRUBCVSZFCF-ZFWWWQNUSA-N 2 1 312.404 3.416 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@@H](C)C1 ZINC000247015755 432192889 /nfs/dbraw/zinc/19/28/89/432192889.db2.gz KOQYRUBCVSZFCF-ZFWWWQNUSA-N 2 1 312.404 3.416 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150813198 432193131 /nfs/dbraw/zinc/19/31/31/432193131.db2.gz UWKDDWTXUJQTCZ-OAHLLOKOSA-N 2 1 310.388 3.206 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150813198 432193134 /nfs/dbraw/zinc/19/31/34/432193134.db2.gz UWKDDWTXUJQTCZ-OAHLLOKOSA-N 2 1 310.388 3.206 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247028698 432194760 /nfs/dbraw/zinc/19/47/60/432194760.db2.gz MAZRCPZCSYBTFA-RVKKMQEKSA-N 2 1 317.477 3.244 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247028698 432194764 /nfs/dbraw/zinc/19/47/64/432194764.db2.gz MAZRCPZCSYBTFA-RVKKMQEKSA-N 2 1 317.477 3.244 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000269664705 432196000 /nfs/dbraw/zinc/19/60/00/432196000.db2.gz KNGGBRFPXQACMC-GOSISDBHSA-N 2 1 315.461 3.094 20 0 DGADMP c1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247053981 432198034 /nfs/dbraw/zinc/19/80/34/432198034.db2.gz ZKKVNMBLUKXZCN-PXNSSMCTSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247053981 432198037 /nfs/dbraw/zinc/19/80/37/432198037.db2.gz ZKKVNMBLUKXZCN-PXNSSMCTSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247053981 432198040 /nfs/dbraw/zinc/19/80/40/432198040.db2.gz ZKKVNMBLUKXZCN-PXNSSMCTSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247053981 432198044 /nfs/dbraw/zinc/19/80/44/432198044.db2.gz ZKKVNMBLUKXZCN-PXNSSMCTSA-N 2 1 314.473 3.404 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000247207268 432211162 /nfs/dbraw/zinc/21/11/62/432211162.db2.gz WROJVKIZOLLBFL-CVEARBPZSA-N 2 1 320.477 3.395 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000247195739 432211534 /nfs/dbraw/zinc/21/15/34/432211534.db2.gz VYQHDXMBLRSGKY-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000247195739 432211539 /nfs/dbraw/zinc/21/15/39/432211539.db2.gz VYQHDXMBLRSGKY-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000247208273 432211861 /nfs/dbraw/zinc/21/18/61/432211861.db2.gz WVQWJHZJVHXVTG-BRWVUGGUSA-N 2 1 306.498 3.483 20 0 DGADMP C[C@H]1CC[C@H](C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000191034695 432214274 /nfs/dbraw/zinc/21/42/74/432214274.db2.gz JXLNAGCDXBCMQA-QFBILLFUSA-N 2 1 317.477 3.187 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000151069798 432215702 /nfs/dbraw/zinc/21/57/02/432215702.db2.gz OKGDMUNIIKHGOS-YQQAZPJKSA-N 2 1 320.477 3.302 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000151069798 432215705 /nfs/dbraw/zinc/21/57/05/432215705.db2.gz OKGDMUNIIKHGOS-YQQAZPJKSA-N 2 1 320.477 3.302 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)COCc1ccccc1 ZINC000247135432 432205685 /nfs/dbraw/zinc/20/56/85/432205685.db2.gz VUFQKHVZLZYQLO-SFNKJDCFSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000247140516 432205867 /nfs/dbraw/zinc/20/58/67/432205867.db2.gz QVPLLUYVOUWJER-SZOQZIPDSA-N 2 1 310.869 3.426 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269870752 432216544 /nfs/dbraw/zinc/21/65/44/432216544.db2.gz MPXGRUSFHZZFPJ-MEDUHNTESA-N 2 1 305.372 3.383 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000151094143 432218164 /nfs/dbraw/zinc/21/81/64/432218164.db2.gz RFUSMKBGRPXOBR-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000151131610 432221599 /nfs/dbraw/zinc/22/15/99/432221599.db2.gz VYQHDXMBLRSGKY-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000151131610 432221601 /nfs/dbraw/zinc/22/16/01/432221601.db2.gz VYQHDXMBLRSGKY-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000151125762 432222341 /nfs/dbraw/zinc/22/23/41/432222341.db2.gz QSZDUTSEFZJZKI-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132453003 196256770 /nfs/dbraw/zinc/25/67/70/196256770.db2.gz MHYUQWTVVJRDQQ-LMMKCTJWSA-N 2 1 303.494 3.221 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)([NH+](C)C)C1 ZINC000320458909 287501541 /nfs/dbraw/zinc/50/15/41/287501541.db2.gz DLROXLXYCMXVFH-KBXIAJHMSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@H+]1C ZINC000344683970 229141864 /nfs/dbraw/zinc/14/18/64/229141864.db2.gz PICLITWHPXCARQ-LRDDRELGSA-N 2 1 303.837 3.461 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000193977714 263804923 /nfs/dbraw/zinc/80/49/23/263804923.db2.gz KOKZDJLTKKKPJQ-XMTFNYHQSA-N 2 1 306.494 3.044 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000346318152 264009064 /nfs/dbraw/zinc/00/90/64/264009064.db2.gz WALKVFJXLAGRMQ-UHFFFAOYSA-N 2 1 324.428 3.411 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000346318152 264009066 /nfs/dbraw/zinc/00/90/66/264009066.db2.gz WALKVFJXLAGRMQ-UHFFFAOYSA-N 2 1 324.428 3.411 20 0 DGADMP CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462167 264035908 /nfs/dbraw/zinc/03/59/08/264035908.db2.gz OBDPAQYVKWCIHC-KXBFYZLASA-N 2 1 313.420 3.242 20 0 DGADMP CC(C[NH+]1CCS[C@H](C)[C@@H]1C)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000346524760 264046321 /nfs/dbraw/zinc/04/63/21/264046321.db2.gz GKISPKNZSUATEO-CAOSSQGBSA-N 2 1 316.580 3.274 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000346636932 264070370 /nfs/dbraw/zinc/07/03/70/264070370.db2.gz IJARKBORGAUIQP-NVXWUHKLSA-N 2 1 311.429 3.351 20 0 DGADMP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(-c2ccccc2Cl)n1 ZINC000346642519 264071225 /nfs/dbraw/zinc/07/12/25/264071225.db2.gz MJPIVHTUSYJLIF-UHFFFAOYSA-N 2 1 320.868 3.157 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000346651925 264073576 /nfs/dbraw/zinc/07/35/76/264073576.db2.gz DDIPAFQWPAKENL-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000346663752 264075379 /nfs/dbraw/zinc/07/53/79/264075379.db2.gz XAHWHSHITMFQQG-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OC(C)C ZINC000346678549 264078315 /nfs/dbraw/zinc/07/83/15/264078315.db2.gz LSJBVISDPNNFRN-MRXNPFEDSA-N 2 1 308.466 3.288 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693737 264081566 /nfs/dbraw/zinc/08/15/66/264081566.db2.gz PGGPLNRNJOTNQW-HNNXBMFYSA-N 2 1 322.403 3.160 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000346823155 264104042 /nfs/dbraw/zinc/10/40/42/264104042.db2.gz CGAAOLMQQVUXNG-QGZVFWFLSA-N 2 1 314.473 3.366 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@@H]12 ZINC000346840313 264107243 /nfs/dbraw/zinc/10/72/43/264107243.db2.gz TYYQJSHKFUCTOQ-DMDPSCGWSA-N 2 1 316.779 3.111 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@@H]12 ZINC000346840313 264107245 /nfs/dbraw/zinc/10/72/45/264107245.db2.gz TYYQJSHKFUCTOQ-DMDPSCGWSA-N 2 1 316.779 3.111 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@@H]21 ZINC000346850013 264109102 /nfs/dbraw/zinc/10/91/02/264109102.db2.gz HPOUHUXWRLEKLE-FPMFFAJLSA-N 2 1 319.499 3.431 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC000346863780 264111318 /nfs/dbraw/zinc/11/13/18/264111318.db2.gz YHCOGLVSRVRMIH-ULQDDVLXSA-N 2 1 318.461 3.042 20 0 DGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000346997451 264136089 /nfs/dbraw/zinc/13/60/89/264136089.db2.gz WORQXACJPQDTSK-OAHLLOKOSA-N 2 1 319.518 3.201 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000347023902 264141681 /nfs/dbraw/zinc/14/16/81/264141681.db2.gz QNJIMZXJQPTHBL-UHFFFAOYSA-N 2 1 320.868 3.048 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347027927 264142431 /nfs/dbraw/zinc/14/24/31/264142431.db2.gz VBOMGCXDQCTAKD-CYBMUJFWSA-N 2 1 318.852 3.162 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347027927 264142434 /nfs/dbraw/zinc/14/24/34/264142434.db2.gz VBOMGCXDQCTAKD-CYBMUJFWSA-N 2 1 318.852 3.162 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032899 264143905 /nfs/dbraw/zinc/14/39/05/264143905.db2.gz AKLALLMLVVTQEC-LSDHHAIUSA-N 2 1 321.896 3.499 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032899 264143908 /nfs/dbraw/zinc/14/39/08/264143908.db2.gz AKLALLMLVVTQEC-LSDHHAIUSA-N 2 1 321.896 3.499 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347039284 264144593 /nfs/dbraw/zinc/14/45/93/264144593.db2.gz GRZLWLYWQHLGDZ-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)s2)o1 ZINC000347035279 264144729 /nfs/dbraw/zinc/14/47/29/264144729.db2.gz GKXIBZJCXGYRNV-STQMWFEESA-N 2 1 305.447 3.271 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)s2)o1 ZINC000347035279 264144732 /nfs/dbraw/zinc/14/47/32/264144732.db2.gz GKXIBZJCXGYRNV-STQMWFEESA-N 2 1 305.447 3.271 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)s2)o1 ZINC000347035275 264145493 /nfs/dbraw/zinc/14/54/93/264145493.db2.gz GKXIBZJCXGYRNV-OLZOCXBDSA-N 2 1 305.447 3.271 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)s2)o1 ZINC000347035275 264145495 /nfs/dbraw/zinc/14/54/95/264145495.db2.gz GKXIBZJCXGYRNV-OLZOCXBDSA-N 2 1 305.447 3.271 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000347046595 264146868 /nfs/dbraw/zinc/14/68/68/264146868.db2.gz OTXTYKWTAFYLJL-DZGCQCFKSA-N 2 1 312.404 3.464 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347050653 264147554 /nfs/dbraw/zinc/14/75/54/264147554.db2.gz QYUBWVSMOJXWBL-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347050653 264147555 /nfs/dbraw/zinc/14/75/55/264147555.db2.gz QYUBWVSMOJXWBL-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347075634 264152689 /nfs/dbraw/zinc/15/26/89/264152689.db2.gz UMAGOEZRGOUQDS-GXTWGEPZSA-N 2 1 316.367 3.187 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(OCCC)c1 ZINC000347110710 264158501 /nfs/dbraw/zinc/15/85/01/264158501.db2.gz NTYDUSTYBATYIP-MRXNPFEDSA-N 2 1 320.477 3.435 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(OCCC)c1 ZINC000347110710 264158504 /nfs/dbraw/zinc/15/85/04/264158504.db2.gz NTYDUSTYBATYIP-MRXNPFEDSA-N 2 1 320.477 3.435 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347113900 264158936 /nfs/dbraw/zinc/15/89/36/264158936.db2.gz SKASSYRMRPBDKL-CQSZACIVSA-N 2 1 301.459 3.242 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347113900 264158937 /nfs/dbraw/zinc/15/89/37/264158937.db2.gz SKASSYRMRPBDKL-CQSZACIVSA-N 2 1 301.459 3.242 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347144487 264164796 /nfs/dbraw/zinc/16/47/96/264164796.db2.gz XSKKPECFMDVYHM-MRXNPFEDSA-N 2 1 312.461 3.166 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347144487 264164797 /nfs/dbraw/zinc/16/47/97/264164797.db2.gz XSKKPECFMDVYHM-MRXNPFEDSA-N 2 1 312.461 3.166 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347182084 264171012 /nfs/dbraw/zinc/17/10/12/264171012.db2.gz WBDXIKFBJWTJEB-HNNXBMFYSA-N 2 1 307.457 3.233 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347182084 264171015 /nfs/dbraw/zinc/17/10/15/264171015.db2.gz WBDXIKFBJWTJEB-HNNXBMFYSA-N 2 1 307.457 3.233 20 0 DGADMP CCC[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654353 264261099 /nfs/dbraw/zinc/26/10/99/264261099.db2.gz SABRIEWWWVGSCN-JKSUJKDBSA-N 2 1 315.465 3.035 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000347914295 264305147 /nfs/dbraw/zinc/30/51/47/264305147.db2.gz BIYCOVNJMUHJPN-KRWDZBQOSA-N 2 1 304.478 3.291 20 0 DGADMP C[C@H](NCC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000347968417 264316795 /nfs/dbraw/zinc/31/67/95/264316795.db2.gz UOGLUQCDCQPJAI-RCCFBDPRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968417 264316798 /nfs/dbraw/zinc/31/67/98/264316798.db2.gz UOGLUQCDCQPJAI-RCCFBDPRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968417 264316800 /nfs/dbraw/zinc/31/68/00/264316800.db2.gz UOGLUQCDCQPJAI-RCCFBDPRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000347968417 264316803 /nfs/dbraw/zinc/31/68/03/264316803.db2.gz UOGLUQCDCQPJAI-RCCFBDPRSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000347968417 264316804 /nfs/dbraw/zinc/31/68/04/264316804.db2.gz UOGLUQCDCQPJAI-RCCFBDPRSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968417 264316806 /nfs/dbraw/zinc/31/68/06/264316806.db2.gz UOGLUQCDCQPJAI-RCCFBDPRSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968417 264316809 /nfs/dbraw/zinc/31/68/09/264316809.db2.gz UOGLUQCDCQPJAI-RCCFBDPRSA-N 3 1 307.526 3.103 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000348084817 264336550 /nfs/dbraw/zinc/33/65/50/264336550.db2.gz SMDVWDHBGDXYRI-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000348084817 264336551 /nfs/dbraw/zinc/33/65/51/264336551.db2.gz SMDVWDHBGDXYRI-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000348084817 264336553 /nfs/dbraw/zinc/33/65/53/264336553.db2.gz SMDVWDHBGDXYRI-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]([NH2+]CCc1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348089675 264337194 /nfs/dbraw/zinc/33/71/94/264337194.db2.gz VZARWEOCPXRBEZ-NVXWUHKLSA-N 2 1 315.486 3.186 20 0 DGADMP C[C@H]([NH2+]CCc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348089677 264337698 /nfs/dbraw/zinc/33/76/98/264337698.db2.gz VZARWEOCPXRBEZ-RDJZCZTQSA-N 2 1 315.486 3.186 20 0 DGADMP COC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1F ZINC000348099626 264340207 /nfs/dbraw/zinc/34/02/07/264340207.db2.gz CCGJGAKTOGEIIU-XUJVJEKNSA-N 2 1 314.832 3.239 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348145922 264352731 /nfs/dbraw/zinc/35/27/31/264352731.db2.gz UDDPLWFNJRYHMR-OBZTUIKSSA-N 2 1 314.473 3.054 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000348217875 264367400 /nfs/dbraw/zinc/36/74/00/264367400.db2.gz HUCVHOPBZQEWGX-VQIMIIECSA-N 2 1 304.478 3.025 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCSc1ccc(F)cc1 ZINC000348257724 264376246 /nfs/dbraw/zinc/37/62/46/264376246.db2.gz RUQYSDGZXKCPCU-UHFFFAOYSA-N 2 1 307.438 3.445 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCSc1ccc(F)cc1 ZINC000348257724 264376248 /nfs/dbraw/zinc/37/62/48/264376248.db2.gz RUQYSDGZXKCPCU-UHFFFAOYSA-N 2 1 307.438 3.445 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348378704 264399527 /nfs/dbraw/zinc/39/95/27/264399527.db2.gz OGKHWQNXWJBFQG-QLFBSQMISA-N 2 1 322.415 3.054 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OCC(C)C ZINC000352545240 265083573 /nfs/dbraw/zinc/08/35/73/265083573.db2.gz HPXZNSKRNSHKKJ-KRWDZBQOSA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000352652834 265116031 /nfs/dbraw/zinc/11/60/31/265116031.db2.gz RGYOBRKYPVULPJ-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1ccccc1 ZINC000352748288 265151104 /nfs/dbraw/zinc/15/11/04/265151104.db2.gz ICGXDVLTRMZNFX-ZIAGYGMSSA-N 2 1 303.475 3.487 20 0 DGADMP CC(C)[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccnc1 ZINC000352766102 265157361 /nfs/dbraw/zinc/15/73/61/265157361.db2.gz KXNOKAFTZJMPHO-INIZCTEOSA-N 2 1 318.490 3.129 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352852364 265198887 /nfs/dbraw/zinc/19/88/87/265198887.db2.gz JSUHSIPWNRBSCG-GOSISDBHSA-N 2 1 308.510 3.316 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128561 265310231 /nfs/dbraw/zinc/31/02/31/265310231.db2.gz ROXKDAFVYQMFHF-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128561 265310232 /nfs/dbraw/zinc/31/02/32/265310232.db2.gz ROXKDAFVYQMFHF-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353128561 265310234 /nfs/dbraw/zinc/31/02/34/265310234.db2.gz ROXKDAFVYQMFHF-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353128561 265310236 /nfs/dbraw/zinc/31/02/36/265310236.db2.gz ROXKDAFVYQMFHF-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000353334423 265393489 /nfs/dbraw/zinc/39/34/89/265393489.db2.gz FZXATAOBFGDSNY-SFHVURJKSA-N 2 1 305.441 3.382 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000353453202 265434009 /nfs/dbraw/zinc/43/40/09/265434009.db2.gz DYVGWYZWZQIFIK-ZIAGYGMSSA-N 2 1 324.490 3.307 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355058028 265956243 /nfs/dbraw/zinc/95/62/43/265956243.db2.gz CPJYAUURTCCPMI-XLIONFOSSA-N 2 1 315.505 3.238 20 0 DGADMP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213555 266001704 /nfs/dbraw/zinc/00/17/04/266001704.db2.gz FIRZEWODZONHMI-FDIFFNORSA-N 2 1 307.441 3.207 20 0 DGADMP CCC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000355219100 266003837 /nfs/dbraw/zinc/00/38/37/266003837.db2.gz MCFBRRPPGFKHOW-IBGZPJMESA-N 2 1 316.489 3.305 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](CCCOC)Cc2ccccc2)CC1 ZINC000355326830 266039146 /nfs/dbraw/zinc/03/91/46/266039146.db2.gz DLDVQXMJQLZNIL-IBGZPJMESA-N 2 1 304.478 3.098 20 0 DGADMP CC(C)(CC[NH+]1CCCCCC1)Nc1[nH+]cnc2[nH]ccc21 ZINC000355537560 266106944 /nfs/dbraw/zinc/10/69/44/266106944.db2.gz AAYUCWSFACFANE-UHFFFAOYSA-N 2 1 301.438 3.415 20 0 DGADMP Clc1c[nH+]ccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000355684655 266155827 /nfs/dbraw/zinc/15/58/27/266155827.db2.gz QWOOVFRGEPPKNG-IYBDPMFKSA-N 2 1 313.832 3.303 20 0 DGADMP Clc1c[nH+]ccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000355684655 266155829 /nfs/dbraw/zinc/15/58/29/266155829.db2.gz QWOOVFRGEPPKNG-IYBDPMFKSA-N 2 1 313.832 3.303 20 0 DGADMP CCn1nccc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000355896653 266222030 /nfs/dbraw/zinc/22/20/30/266222030.db2.gz PCKKQEJFZXQIOU-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[NH+](C(C)C)C(C)C)c1C ZINC000356390722 266377262 /nfs/dbraw/zinc/37/72/62/266377262.db2.gz PJZRRNOLKFSGOL-UHFFFAOYSA-N 2 1 307.482 3.258 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191265852 432241876 /nfs/dbraw/zinc/24/18/76/432241876.db2.gz YMCYTQKTPLDDQP-UONOGXRCSA-N 2 1 317.481 3.438 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000362506074 271034086 /nfs/dbraw/zinc/03/40/86/271034086.db2.gz QDSJASMDQXUYEH-CYBMUJFWSA-N 2 1 319.474 3.058 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530139 271165935 /nfs/dbraw/zinc/16/59/35/271165935.db2.gz IVSAHRQTGSMMGV-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000368686666 271192563 /nfs/dbraw/zinc/19/25/63/271192563.db2.gz HAMQYHGRAVOGDT-LJQANCHMSA-N 2 1 324.472 3.109 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000368686666 271192566 /nfs/dbraw/zinc/19/25/66/271192566.db2.gz HAMQYHGRAVOGDT-LJQANCHMSA-N 2 1 324.472 3.109 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2O1 ZINC000369539209 271288617 /nfs/dbraw/zinc/28/86/17/271288617.db2.gz HJKUIWSTIAOOAI-IAGOWNOFSA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2O1 ZINC000369539209 271288621 /nfs/dbraw/zinc/28/86/21/271288621.db2.gz HJKUIWSTIAOOAI-IAGOWNOFSA-N 2 1 300.446 3.117 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422878567 274110561 /nfs/dbraw/zinc/11/05/61/274110561.db2.gz KHNBFSGAEXDLEW-CABCVRRESA-N 2 1 316.367 3.464 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414185471 274135812 /nfs/dbraw/zinc/13/58/12/274135812.db2.gz OPTIQQKQVQKVPD-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928823 274247991 /nfs/dbraw/zinc/24/79/91/274247991.db2.gz QLLKXDWTTJUJEN-MJGOQNOKSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nccc2ccccc21 ZINC000290712403 274249476 /nfs/dbraw/zinc/24/94/76/274249476.db2.gz OAFGTXYBUPRYHO-CABCVRRESA-N 2 1 306.413 3.345 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC000128504860 274312897 /nfs/dbraw/zinc/31/28/97/274312897.db2.gz MEPGFACHWYIBMJ-YLJYHZDGSA-N 2 1 315.505 3.242 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000432421350 274347613 /nfs/dbraw/zinc/34/76/13/274347613.db2.gz OVJFWEUEAYJDKM-DNVCBOLYSA-N 2 1 320.452 3.294 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273403853 275045291 /nfs/dbraw/zinc/04/52/91/275045291.db2.gz NZNQAGCUIFLSMU-GOSISDBHSA-N 2 1 322.880 3.154 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000247974781 432260206 /nfs/dbraw/zinc/26/02/06/432260206.db2.gz HQWHIKASWQULCW-WDYCEAGBSA-N 2 1 319.468 3.114 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000191389907 432260426 /nfs/dbraw/zinc/26/04/26/432260426.db2.gz XRDAEBXTEGEXKW-IBGZPJMESA-N 2 1 314.473 3.393 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000191389907 432260431 /nfs/dbraw/zinc/26/04/31/432260431.db2.gz XRDAEBXTEGEXKW-IBGZPJMESA-N 2 1 314.473 3.393 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccsc1 ZINC000443097483 276044985 /nfs/dbraw/zinc/04/49/85/276044985.db2.gz VFEFUVXIIQUNEZ-IRXDYDNUSA-N 2 1 310.507 3.272 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000361336436 276100596 /nfs/dbraw/zinc/10/05/96/276100596.db2.gz NURFAIPYTIDCRQ-PKOBYXMFSA-N 2 1 320.452 3.246 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246388454 276194899 /nfs/dbraw/zinc/19/48/99/276194899.db2.gz KQVGMQRDHDLAPD-BKVYNOPKSA-N 3 1 307.526 3.102 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246388454 276194901 /nfs/dbraw/zinc/19/49/01/276194901.db2.gz KQVGMQRDHDLAPD-BKVYNOPKSA-N 3 1 307.526 3.102 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000247233579 276221791 /nfs/dbraw/zinc/22/17/91/276221791.db2.gz YKUGPTYJVVTXKE-WBVHZDCISA-N 2 1 300.446 3.364 20 0 DGADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423383493 276270579 /nfs/dbraw/zinc/27/05/79/276270579.db2.gz JLMBISQKYBETAC-AFYVEPGGSA-N 2 1 315.505 3.017 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c2ccccc21 ZINC000423268654 276287814 /nfs/dbraw/zinc/28/78/14/276287814.db2.gz UYOAGILHCMSGIC-ZTFGCOKTSA-N 2 1 318.461 3.131 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998146 277060292 /nfs/dbraw/zinc/06/02/92/277060292.db2.gz LCOGMJAWJLFDJZ-MRXNPFEDSA-N 2 1 321.896 3.336 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998146 277060294 /nfs/dbraw/zinc/06/02/94/277060294.db2.gz LCOGMJAWJLFDJZ-MRXNPFEDSA-N 2 1 321.896 3.336 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998146 277060296 /nfs/dbraw/zinc/06/02/96/277060296.db2.gz LCOGMJAWJLFDJZ-MRXNPFEDSA-N 2 1 321.896 3.336 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998146 277060297 /nfs/dbraw/zinc/06/02/97/277060297.db2.gz LCOGMJAWJLFDJZ-MRXNPFEDSA-N 2 1 321.896 3.336 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1(C)C ZINC000282392025 277106304 /nfs/dbraw/zinc/10/63/04/277106304.db2.gz REBWBDLBDOKGNM-GOSISDBHSA-N 2 1 315.505 3.025 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392376 277184266 /nfs/dbraw/zinc/18/42/66/277184266.db2.gz VKMUEDRCKOSTER-ROUUACIJSA-N 2 1 322.880 3.228 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392376 277184268 /nfs/dbraw/zinc/18/42/68/277184268.db2.gz VKMUEDRCKOSTER-ROUUACIJSA-N 2 1 322.880 3.228 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000542766943 430223555 /nfs/dbraw/zinc/22/35/55/430223555.db2.gz UBFUHPSZBCYMNV-MRXNPFEDSA-N 2 1 319.497 3.389 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000173405584 278174694 /nfs/dbraw/zinc/17/46/94/278174694.db2.gz PYUZCSBGBDXCPH-NVXWUHKLSA-N 2 1 322.518 3.296 20 0 DGADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000344142568 278241994 /nfs/dbraw/zinc/24/19/94/278241994.db2.gz ZZTJLHIZVHACGN-KRWDZBQOSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344142568 278241996 /nfs/dbraw/zinc/24/19/96/278241996.db2.gz ZZTJLHIZVHACGN-KRWDZBQOSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877072 278311794 /nfs/dbraw/zinc/31/17/94/278311794.db2.gz HKCMWJJRYRCPGC-QWFCFKBJSA-N 3 1 317.521 3.047 20 0 DGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422877072 278311795 /nfs/dbraw/zinc/31/17/95/278311795.db2.gz HKCMWJJRYRCPGC-QWFCFKBJSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877072 278311798 /nfs/dbraw/zinc/31/17/98/278311798.db2.gz HKCMWJJRYRCPGC-QWFCFKBJSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000432409997 278344845 /nfs/dbraw/zinc/34/48/45/278344845.db2.gz KXNLILASIQWENA-DLBZAZTESA-N 2 1 316.489 3.327 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442890162 288103318 /nfs/dbraw/zinc/10/33/18/288103318.db2.gz NNMJRFAQNCMIFM-CEXWTWQISA-N 2 1 321.553 3.351 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414831613 279142321 /nfs/dbraw/zinc/14/23/21/279142321.db2.gz CTCDMYBRLVIZAF-SWLSCSKDSA-N 2 1 313.283 3.343 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011583 279165579 /nfs/dbraw/zinc/16/55/79/279165579.db2.gz MSWVHYRHKAVADM-HYVNUMGLSA-N 2 1 309.523 3.203 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399371 279248573 /nfs/dbraw/zinc/24/85/73/279248573.db2.gz JTIAXJICFNPWPA-OAGGEKHMSA-N 2 1 324.509 3.349 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000449078294 279356742 /nfs/dbraw/zinc/35/67/42/279356742.db2.gz LSAARMJGGDKCAT-GUDVDZBRSA-N 2 1 309.542 3.209 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858100 279384686 /nfs/dbraw/zinc/38/46/86/279384686.db2.gz IJPIRQJFLREKFZ-APWZRJJASA-N 2 1 303.494 3.147 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170492 431241696 /nfs/dbraw/zinc/24/16/96/431241696.db2.gz BELMSWCGOPEALM-ZDUSSCGKSA-N 2 1 305.447 3.272 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307799 431275182 /nfs/dbraw/zinc/27/51/82/431275182.db2.gz RGQZNLNBDHLHTN-BREBYQMCSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307799 431275186 /nfs/dbraw/zinc/27/51/86/431275186.db2.gz RGQZNLNBDHLHTN-BREBYQMCSA-N 2 1 317.296 3.329 20 0 DGADMP Oc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000075799837 431495968 /nfs/dbraw/zinc/49/59/68/431495968.db2.gz WKRWSIHVDFPLKA-UHFFFAOYSA-N 2 1 310.441 3.189 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000021515431 431629593 /nfs/dbraw/zinc/62/95/93/431629593.db2.gz AGVLFLUSXMCFOQ-UHFFFAOYSA-N 2 1 304.356 3.263 20 0 DGADMP C[C@H]1SCC[N@H+](CCCN2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000119008222 431633671 /nfs/dbraw/zinc/63/36/71/431633671.db2.gz FUGZOFBMJSXJPL-PYHGIMPFSA-N 2 1 302.553 3.028 20 0 DGADMP CCCCOCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000119597780 431709964 /nfs/dbraw/zinc/70/99/64/431709964.db2.gz HHEACTQATMYZTE-UHFFFAOYSA-N 2 1 322.468 3.239 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(CO)c1 ZINC000121240390 431760430 /nfs/dbraw/zinc/76/04/30/431760430.db2.gz PEIZGBBVFVHVDO-IRXDYDNUSA-N 2 1 304.478 3.484 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000032071005 431770367 /nfs/dbraw/zinc/77/03/67/431770367.db2.gz UNMDPICIQNGWTP-UHFFFAOYSA-N 2 1 314.404 3.328 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000121347299 431773416 /nfs/dbraw/zinc/77/34/16/431773416.db2.gz XXZLWPPOMITCHL-KXBFYZLASA-N 2 1 314.429 3.179 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000121440125 431785337 /nfs/dbraw/zinc/78/53/37/431785337.db2.gz MAJIJCPWMBSHAC-CHWSQXEVSA-N 2 1 305.397 3.326 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000036999902 431842803 /nfs/dbraw/zinc/84/28/03/431842803.db2.gz UEUDUTNHGNOZNH-GFCCVEGCSA-N 2 1 311.267 3.064 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996436 431843220 /nfs/dbraw/zinc/84/32/20/431843220.db2.gz DCRWQIGOXWMBFG-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996436 431843222 /nfs/dbraw/zinc/84/32/22/431843222.db2.gz DCRWQIGOXWMBFG-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP Cc1ncc([C@H](C)NCCC[N@H+]2CCc3ccccc3C2)c(C)n1 ZINC000122775177 431844221 /nfs/dbraw/zinc/84/42/21/431844221.db2.gz ATMKSNJAGFRHFE-HNNXBMFYSA-N 2 1 324.472 3.192 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1Br ZINC000037213644 431844620 /nfs/dbraw/zinc/84/46/20/431844620.db2.gz FTHFQSANMHZCJU-NSHDSACASA-N 2 1 315.255 3.060 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000037643724 431848405 /nfs/dbraw/zinc/84/84/05/431848405.db2.gz FBVKLGOFVXPPME-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000037643724 431848406 /nfs/dbraw/zinc/84/84/06/431848406.db2.gz FBVKLGOFVXPPME-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123031577 431852337 /nfs/dbraw/zinc/85/23/37/431852337.db2.gz VNZXQUPNVCHCAJ-RTBURBONSA-N 2 1 316.489 3.269 20 0 DGADMP CC(C)c1noc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123556027 431868015 /nfs/dbraw/zinc/86/80/15/431868015.db2.gz UDCRSKMPOIBGCN-CQSZACIVSA-N 2 1 308.470 3.308 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cncc(F)c1 ZINC000122374857 431829607 /nfs/dbraw/zinc/82/96/07/431829607.db2.gz ZAISPFGWUSAVEI-CQSZACIVSA-N 2 1 317.408 3.012 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000044535302 431875240 /nfs/dbraw/zinc/87/52/40/431875240.db2.gz PMLDLDQRERJSPQ-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000044535302 431875242 /nfs/dbraw/zinc/87/52/42/431875242.db2.gz PMLDLDQRERJSPQ-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000124347030 431891197 /nfs/dbraw/zinc/89/11/97/431891197.db2.gz ZQAPGRGGUQPHAN-STQMWFEESA-N 2 1 310.388 3.423 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000090720699 431894551 /nfs/dbraw/zinc/89/45/51/431894551.db2.gz IYHQQMULJDPEBE-YPMHNXCESA-N 2 1 302.340 3.158 20 0 DGADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090937743 431897279 /nfs/dbraw/zinc/89/72/79/431897279.db2.gz DGNNXMJLOGIQIT-QBPKDAKJSA-N 2 1 320.477 3.028 20 0 DGADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090937741 431898056 /nfs/dbraw/zinc/89/80/56/431898056.db2.gz DGNNXMJLOGIQIT-VQHPVUNQSA-N 2 1 320.477 3.028 20 0 DGADMP CC(C)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000091333151 431903984 /nfs/dbraw/zinc/90/39/84/431903984.db2.gz PLLCHYFQBLBNNX-HXUWFJFHSA-N 2 1 317.521 3.247 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@H](C)C1 ZINC000124852925 431906590 /nfs/dbraw/zinc/90/65/90/431906590.db2.gz HUTMRYPJDYXSOM-RHSMWYFYSA-N 2 1 313.445 3.063 20 0 DGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000098143782 431979868 /nfs/dbraw/zinc/97/98/68/431979868.db2.gz GHSIKJMNWVJSJE-QZTJIDSGSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126434002 431949911 /nfs/dbraw/zinc/94/99/11/431949911.db2.gz XFANIYKBEOXFMS-QGZVFWFLSA-N 2 1 303.494 3.014 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126675198 431955649 /nfs/dbraw/zinc/95/56/49/431955649.db2.gz GRIGWXMULUVHER-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126675198 431955652 /nfs/dbraw/zinc/95/56/52/431955652.db2.gz GRIGWXMULUVHER-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127367157 431970163 /nfs/dbraw/zinc/97/01/63/431970163.db2.gz CQXHKUKKADPVPK-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702193 281020382 /nfs/dbraw/zinc/02/03/82/281020382.db2.gz HZSRYQXEJUXPEW-LZLYRXPVSA-N 2 1 318.461 3.001 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000248123396 432270759 /nfs/dbraw/zinc/27/07/59/432270759.db2.gz NPSKDTDDPQNOMG-JZXOWHBKSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248141022 432270967 /nfs/dbraw/zinc/27/09/67/432270967.db2.gz YNPZEEFMWJVJSJ-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248141022 432270970 /nfs/dbraw/zinc/27/09/70/432270970.db2.gz YNPZEEFMWJVJSJ-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000248141022 432270971 /nfs/dbraw/zinc/27/09/71/432270971.db2.gz YNPZEEFMWJVJSJ-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000191494392 432271291 /nfs/dbraw/zinc/27/12/91/432271291.db2.gz JDFYOFYXTRIOOR-GUYCJALGSA-N 2 1 318.486 3.306 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC000191511642 432273452 /nfs/dbraw/zinc/27/34/52/432273452.db2.gz PFRZJLXOCRQKTQ-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000173364352 432274160 /nfs/dbraw/zinc/27/41/60/432274160.db2.gz HRTABBFLYLFFPJ-BEFAXECRSA-N 2 1 312.461 3.001 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000173364352 432274165 /nfs/dbraw/zinc/27/41/65/432274165.db2.gz HRTABBFLYLFFPJ-BEFAXECRSA-N 2 1 312.461 3.001 20 0 DGADMP CSCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248399952 432285723 /nfs/dbraw/zinc/28/57/23/432285723.db2.gz PJRMFRUUTRBTDY-VQFNDLOPSA-N 2 1 306.519 3.486 20 0 DGADMP CSC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248420639 432289009 /nfs/dbraw/zinc/28/90/09/432289009.db2.gz XHOYDKHOCILWIR-DZJNRPSUSA-N 2 1 304.503 3.238 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248459555 432294826 /nfs/dbraw/zinc/29/48/26/432294826.db2.gz VUWPZKNOFOVUPD-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000247995089 432261094 /nfs/dbraw/zinc/26/10/94/432261094.db2.gz JVMHJVIWKJJNQP-HLIPFELVSA-N 2 1 315.505 3.284 20 0 DGADMP COCC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000270590797 432262432 /nfs/dbraw/zinc/26/24/32/432262432.db2.gz FASUCBOHLARGEP-MRXNPFEDSA-N 2 1 301.434 3.291 20 0 DGADMP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000270590797 432262435 /nfs/dbraw/zinc/26/24/35/432262435.db2.gz FASUCBOHLARGEP-MRXNPFEDSA-N 2 1 301.434 3.291 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000248039176 432262746 /nfs/dbraw/zinc/26/27/46/432262746.db2.gz SHQCENRJJPRZPC-OIISXLGYSA-N 2 1 308.466 3.376 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000248039176 432262749 /nfs/dbraw/zinc/26/27/49/432262749.db2.gz SHQCENRJJPRZPC-OIISXLGYSA-N 2 1 308.466 3.376 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H]1C ZINC000183150593 432263605 /nfs/dbraw/zinc/26/36/05/432263605.db2.gz QROARBKZXREMFC-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000270601052 432263868 /nfs/dbraw/zinc/26/38/68/432263868.db2.gz GWTYQKMETJTQQI-KRWDZBQOSA-N 2 1 301.409 3.285 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000270601052 432263871 /nfs/dbraw/zinc/26/38/71/432263871.db2.gz GWTYQKMETJTQQI-KRWDZBQOSA-N 2 1 301.409 3.285 20 0 DGADMP CC[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248746248 432316773 /nfs/dbraw/zinc/31/67/73/432316773.db2.gz SDBXCWJEMGBSON-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248746248 432316779 /nfs/dbraw/zinc/31/67/79/432316779.db2.gz SDBXCWJEMGBSON-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000248746248 432316784 /nfs/dbraw/zinc/31/67/84/432316784.db2.gz SDBXCWJEMGBSON-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192087240 432332268 /nfs/dbraw/zinc/33/22/68/432332268.db2.gz RKAFSGFPJYGFNI-GJZGRUSLSA-N 2 1 317.477 3.373 20 0 DGADMP CC(C)c1ccccc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152509257 432337549 /nfs/dbraw/zinc/33/75/49/432337549.db2.gz PSSJCJJACKSUAU-MRXNPFEDSA-N 2 1 317.477 3.022 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2)C1 ZINC000249085313 432338516 /nfs/dbraw/zinc/33/85/16/432338516.db2.gz IPOJLJJWLBTSEX-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000249337037 432345604 /nfs/dbraw/zinc/34/56/04/432345604.db2.gz ZLVJRQIDYBIDBP-IZBJGVDFSA-N 2 1 315.505 3.142 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000249381170 432346376 /nfs/dbraw/zinc/34/63/76/432346376.db2.gz RLLPYEICVWNTNP-CHWSQXEVSA-N 2 1 311.267 3.442 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000249419093 432346548 /nfs/dbraw/zinc/34/65/48/432346548.db2.gz HELOVJHAEVVQEH-PMACEKPBSA-N 2 1 321.553 3.449 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271192013 432351083 /nfs/dbraw/zinc/35/10/83/432351083.db2.gz CQLJJHGEGTYXIQ-MRXNPFEDSA-N 2 1 310.445 3.136 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271192013 432351087 /nfs/dbraw/zinc/35/10/87/432351087.db2.gz CQLJJHGEGTYXIQ-MRXNPFEDSA-N 2 1 310.445 3.136 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271192013 432351090 /nfs/dbraw/zinc/35/10/90/432351090.db2.gz CQLJJHGEGTYXIQ-MRXNPFEDSA-N 2 1 310.445 3.136 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152205045 432313032 /nfs/dbraw/zinc/31/30/32/432313032.db2.gz KYMUSESDJZQHPU-GHMZBOCLSA-N 2 1 321.412 3.024 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152204956 432313545 /nfs/dbraw/zinc/31/35/45/432313545.db2.gz KYMUSESDJZQHPU-MNOVXSKESA-N 2 1 321.412 3.024 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(C)c2)[C@@H](C)C1 ZINC000248730892 432314656 /nfs/dbraw/zinc/31/46/56/432314656.db2.gz OMKQETKNLKQJAM-SCTDSRPQSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(C)c2)[C@@H](C)C1 ZINC000248730892 432314661 /nfs/dbraw/zinc/31/46/61/432314661.db2.gz OMKQETKNLKQJAM-SCTDSRPQSA-N 2 1 319.493 3.178 20 0 DGADMP COC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000271023213 432315818 /nfs/dbraw/zinc/31/58/18/432315818.db2.gz CBYTWUKICMQQPN-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000271314208 432372417 /nfs/dbraw/zinc/37/24/17/432372417.db2.gz XGNJIYLZIMEYLR-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192442307 432375556 /nfs/dbraw/zinc/37/55/56/432375556.db2.gz WSBOVKZZVPRZRG-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192442307 432375560 /nfs/dbraw/zinc/37/55/60/432375560.db2.gz WSBOVKZZVPRZRG-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP CCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000192502214 432381312 /nfs/dbraw/zinc/38/13/12/432381312.db2.gz OEEIPGVITQDQET-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000252844785 432387554 /nfs/dbraw/zinc/38/75/54/432387554.db2.gz DSNWKKKMNMTHJV-OFQRWUPVSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000252844785 432387557 /nfs/dbraw/zinc/38/75/57/432387557.db2.gz DSNWKKKMNMTHJV-OFQRWUPVSA-N 2 1 323.278 3.317 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000252894008 432388691 /nfs/dbraw/zinc/38/86/91/432388691.db2.gz SMNLRMBVNCVNQH-SMDDNHRTSA-N 2 1 302.340 3.015 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000192718035 432405716 /nfs/dbraw/zinc/40/57/16/432405716.db2.gz UUTDPNTYXPLPNX-MOPGFXCFSA-N 2 1 307.526 3.057 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000174628756 432360292 /nfs/dbraw/zinc/36/02/92/432360292.db2.gz RSALAOVKSACADO-DOMZBBRYSA-N 2 1 316.367 3.405 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000192925336 432428033 /nfs/dbraw/zinc/42/80/33/432428033.db2.gz AKTPOIPMXNRJEA-GOSISDBHSA-N 2 1 306.453 3.266 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000261565000 432431778 /nfs/dbraw/zinc/43/17/78/432431778.db2.gz XYNRQXQPEXKOKL-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000261565000 432431787 /nfs/dbraw/zinc/43/17/87/432431787.db2.gz XYNRQXQPEXKOKL-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622810 432435098 /nfs/dbraw/zinc/43/50/98/432435098.db2.gz DOJRBGMOKCLRPK-WFASDCNBSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622810 432435101 /nfs/dbraw/zinc/43/51/01/432435101.db2.gz DOJRBGMOKCLRPK-WFASDCNBSA-N 2 1 311.267 3.223 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]12 ZINC000261651661 432438913 /nfs/dbraw/zinc/43/89/13/432438913.db2.gz JVPYSXWOIPWYGE-DIOULYMOSA-N 2 1 301.821 3.057 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(Cl)s1 ZINC000153788291 432443224 /nfs/dbraw/zinc/44/32/24/432443224.db2.gz OUONUOMFDYSXQD-LBPRGKRZSA-N 2 1 304.887 3.411 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)s1 ZINC000153788291 432443227 /nfs/dbraw/zinc/44/32/27/432443227.db2.gz OUONUOMFDYSXQD-LBPRGKRZSA-N 2 1 304.887 3.411 20 0 DGADMP Clc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261731714 432444043 /nfs/dbraw/zinc/44/40/43/432444043.db2.gz RGYKCGBZMVCGRT-KRWDZBQOSA-N 2 1 301.821 3.074 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261731714 432444046 /nfs/dbraw/zinc/44/40/46/432444046.db2.gz RGYKCGBZMVCGRT-KRWDZBQOSA-N 2 1 301.821 3.074 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]12 ZINC000261736459 432445922 /nfs/dbraw/zinc/44/59/22/432445922.db2.gz RTELSAUDVKXXIW-LJWDBELGSA-N 2 1 302.315 3.014 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]12 ZINC000261736459 432445924 /nfs/dbraw/zinc/44/59/24/432445924.db2.gz RTELSAUDVKXXIW-LJWDBELGSA-N 2 1 302.315 3.014 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000261770369 432448621 /nfs/dbraw/zinc/44/86/21/432448621.db2.gz DQNCNQMZYLGROP-IAGOWNOFSA-N 2 1 317.477 3.115 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000261810057 432452202 /nfs/dbraw/zinc/45/22/02/432452202.db2.gz RLHOPYAUIAPPSN-WBVHZDCISA-N 2 1 302.368 3.139 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000261810057 432452207 /nfs/dbraw/zinc/45/22/07/432452207.db2.gz RLHOPYAUIAPPSN-WBVHZDCISA-N 2 1 302.368 3.139 20 0 DGADMP C[C@@H]([NH2+]Cc1cncs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272142574 432452358 /nfs/dbraw/zinc/45/23/58/432452358.db2.gz BTVVANHDGUMNNY-GDBMZVCRSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@@H]([NH2+]Cc1cncs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272142574 432452363 /nfs/dbraw/zinc/45/23/63/432452363.db2.gz BTVVANHDGUMNNY-GDBMZVCRSA-N 2 1 301.459 3.143 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000261907805 432459875 /nfs/dbraw/zinc/45/98/75/432459875.db2.gz PUFGMWWRHITZLF-CGTJXYLNSA-N 2 1 311.429 3.209 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271501689 432408284 /nfs/dbraw/zinc/40/82/84/432408284.db2.gz NINPSLSFIPHKBQ-ZUZCIYMTSA-N 2 1 317.260 3.099 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000192772889 432412469 /nfs/dbraw/zinc/41/24/69/432412469.db2.gz ZMTSHRZDIOCLLT-QGZVFWFLSA-N 2 1 319.493 3.221 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785170 432414378 /nfs/dbraw/zinc/41/43/78/432414378.db2.gz YGPRYKLSWQBLOO-CABCVRRESA-N 2 1 318.490 3.044 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785170 432414379 /nfs/dbraw/zinc/41/43/79/432414379.db2.gz YGPRYKLSWQBLOO-CABCVRRESA-N 2 1 318.490 3.044 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000193458508 432474252 /nfs/dbraw/zinc/47/42/52/432474252.db2.gz BYQHPEITDBQBLG-QGZVFWFLSA-N 2 1 318.461 3.327 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000193458508 432474258 /nfs/dbraw/zinc/47/42/58/432474258.db2.gz BYQHPEITDBQBLG-QGZVFWFLSA-N 2 1 318.461 3.327 20 0 DGADMP c1ccc(C[N@@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193461935 432474544 /nfs/dbraw/zinc/47/45/44/432474544.db2.gz BCZOUEGSAZIQNN-UHFFFAOYSA-N 2 1 315.505 3.070 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262126078 432475095 /nfs/dbraw/zinc/47/50/95/432475095.db2.gz LDEMXELCKRKUEZ-MJBXVCDLSA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262126078 432475098 /nfs/dbraw/zinc/47/50/98/432475098.db2.gz LDEMXELCKRKUEZ-MJBXVCDLSA-N 2 1 317.458 3.271 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Nc1ccccc1 ZINC000154136516 432475577 /nfs/dbraw/zinc/47/55/77/432475577.db2.gz VSFNKAZZWJVWJI-FPAYPSAMSA-N 2 1 303.494 3.441 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304980 432479634 /nfs/dbraw/zinc/47/96/34/432479634.db2.gz HPTHJYSZVFRKLF-ZHALLVOQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)CC[N@H+]1C ZINC000154185799 432479883 /nfs/dbraw/zinc/47/98/83/432479883.db2.gz ZVZNOSUYXWSDAH-QWRGUYRKSA-N 2 1 317.296 3.125 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]21 ZINC000262372300 432482292 /nfs/dbraw/zinc/48/22/92/432482292.db2.gz XOFQKBJFDPIJNN-TUKIKUTGSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]21 ZINC000262372300 432482298 /nfs/dbraw/zinc/48/22/98/432482298.db2.gz XOFQKBJFDPIJNN-TUKIKUTGSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]12 ZINC000262442106 432485927 /nfs/dbraw/zinc/48/59/27/432485927.db2.gz GVYBVGKIEGFYEC-BPLDGKMQSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]12 ZINC000262442106 432485933 /nfs/dbraw/zinc/48/59/33/432485933.db2.gz GVYBVGKIEGFYEC-BPLDGKMQSA-N 2 1 317.820 3.164 20 0 DGADMP Cc1cc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C(C)C ZINC000262437174 432486043 /nfs/dbraw/zinc/48/60/43/432486043.db2.gz GLIYHVGBWNQIBV-VQIMIIECSA-N 2 1 302.462 3.181 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C(C)C ZINC000262437174 432486051 /nfs/dbraw/zinc/48/60/51/432486051.db2.gz GLIYHVGBWNQIBV-VQIMIIECSA-N 2 1 302.462 3.181 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262495032 432488216 /nfs/dbraw/zinc/48/82/16/432488216.db2.gz LGUCJALLJFJCLM-ZLDLUXBVSA-N 2 1 314.351 3.330 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262495032 432488217 /nfs/dbraw/zinc/48/82/17/432488217.db2.gz LGUCJALLJFJCLM-ZLDLUXBVSA-N 2 1 314.351 3.330 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000272376077 432491165 /nfs/dbraw/zinc/49/11/65/432491165.db2.gz CTLPOUQJZJPDAK-XCZFOBESSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000154360507 432493024 /nfs/dbraw/zinc/49/30/24/432493024.db2.gz KMQJOTACCWTATQ-ZDUSSCGKSA-N 2 1 315.914 3.080 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000154457941 432499734 /nfs/dbraw/zinc/49/97/34/432499734.db2.gz QAYUXRXIDFVQEH-FQEVSTJZSA-N 2 1 317.521 3.453 20 0 DGADMP CC(C)(C)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272450307 432504483 /nfs/dbraw/zinc/50/44/83/432504483.db2.gz VUEFJMLTWIVNRV-FCGDIQPGSA-N 2 1 316.489 3.179 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000154528464 432505103 /nfs/dbraw/zinc/50/51/03/432505103.db2.gz MZLURTRTPBFIAZ-FQEVSTJZSA-N 2 1 315.505 3.071 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000261907805 432459879 /nfs/dbraw/zinc/45/98/79/432459879.db2.gz PUFGMWWRHITZLF-CGTJXYLNSA-N 2 1 311.429 3.209 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261913363 432460118 /nfs/dbraw/zinc/46/01/18/432460118.db2.gz XUKLHIAWEKRDFN-LJQANCHMSA-N 2 1 312.461 3.166 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261913363 432460119 /nfs/dbraw/zinc/46/01/19/432460119.db2.gz XUKLHIAWEKRDFN-LJQANCHMSA-N 2 1 312.461 3.166 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000261923823 432461588 /nfs/dbraw/zinc/46/15/88/432461588.db2.gz YYZHYPQGZJADOP-FQEVSTJZSA-N 2 1 320.440 3.172 20 0 DGADMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227316 432465166 /nfs/dbraw/zinc/46/51/66/432465166.db2.gz QTJYUHBKSOIUFM-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]21 ZINC000261978007 432465264 /nfs/dbraw/zinc/46/52/64/432465264.db2.gz QZIOHEYRVHVZCJ-YUSALJHKSA-N 2 1 304.381 3.326 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]21 ZINC000261978007 432465271 /nfs/dbraw/zinc/46/52/71/432465271.db2.gz QZIOHEYRVHVZCJ-YUSALJHKSA-N 2 1 304.381 3.326 20 0 DGADMP COc1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154061653 432468243 /nfs/dbraw/zinc/46/82/43/432468243.db2.gz KOLTZHAAFIPDRQ-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP COc1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154061653 432468247 /nfs/dbraw/zinc/46/82/47/432468247.db2.gz KOLTZHAAFIPDRQ-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272246819 432469795 /nfs/dbraw/zinc/46/97/95/432469795.db2.gz XKMJBZPAJPYSPV-LFGUQSLTSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000176748348 432550095 /nfs/dbraw/zinc/55/00/95/432550095.db2.gz PRMBCXXNHLWOCU-UHFFFAOYSA-N 2 1 315.461 3.147 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000154779597 432520581 /nfs/dbraw/zinc/52/05/81/432520581.db2.gz OEMHQIHDTKGIDJ-DOTOQJQBSA-N 2 1 317.477 3.244 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000154779597 432520585 /nfs/dbraw/zinc/52/05/85/432520585.db2.gz OEMHQIHDTKGIDJ-DOTOQJQBSA-N 2 1 317.477 3.244 20 0 DGADMP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154844105 432525672 /nfs/dbraw/zinc/52/56/72/432525672.db2.gz AJOHCYBTGLAGLU-INIZCTEOSA-N 2 1 304.478 3.401 20 0 DGADMP COc1ccccc1CCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000272601823 432530939 /nfs/dbraw/zinc/53/09/39/432530939.db2.gz PAURTWKAXRMVMI-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)cc1 ZINC000155222268 432544008 /nfs/dbraw/zinc/54/40/08/432544008.db2.gz FVNSVIGBSMOLDF-MKXGPGLRSA-N 2 1 300.446 3.123 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000186165108 432565556 /nfs/dbraw/zinc/56/55/56/432565556.db2.gz DALPVVVRDXNKOO-SFHVURJKSA-N 2 1 316.489 3.381 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CCC[NH+](C)C1 ZINC000186276915 432576114 /nfs/dbraw/zinc/57/61/14/432576114.db2.gz DZFHNZYHGPBDOG-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CCC[NH+](C)C1 ZINC000186276915 432576120 /nfs/dbraw/zinc/57/61/20/432576120.db2.gz DZFHNZYHGPBDOG-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CCC[N@H+](C)C1 ZINC000186276915 432576121 /nfs/dbraw/zinc/57/61/21/432576121.db2.gz DZFHNZYHGPBDOG-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CCC[N@@H+](C)C1 ZINC000186276915 432576124 /nfs/dbraw/zinc/57/61/24/432576124.db2.gz DZFHNZYHGPBDOG-INIZCTEOSA-N 2 1 318.461 3.105 20 0 DGADMP c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)n1 ZINC000177039141 432577681 /nfs/dbraw/zinc/57/76/81/432577681.db2.gz WPAWBVZEDIXPQD-KRWDZBQOSA-N 2 1 307.401 3.323 20 0 DGADMP c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)n1 ZINC000177039141 432577684 /nfs/dbraw/zinc/57/76/84/432577684.db2.gz WPAWBVZEDIXPQD-KRWDZBQOSA-N 2 1 307.401 3.323 20 0 DGADMP c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)n1 ZINC000177039124 432577920 /nfs/dbraw/zinc/57/79/20/432577920.db2.gz WPAWBVZEDIXPQD-QGZVFWFLSA-N 2 1 307.401 3.323 20 0 DGADMP c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)n1 ZINC000177039124 432577922 /nfs/dbraw/zinc/57/79/22/432577922.db2.gz WPAWBVZEDIXPQD-QGZVFWFLSA-N 2 1 307.401 3.323 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000194888581 432584335 /nfs/dbraw/zinc/58/43/35/432584335.db2.gz PQUYNTVIJMRWQQ-JKSUJKDBSA-N 2 1 322.518 3.296 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273484233 432603390 /nfs/dbraw/zinc/60/33/90/432603390.db2.gz VGHRDTWUUFOQRQ-ACJWMLNOSA-N 2 1 320.452 3.364 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157344129 432619265 /nfs/dbraw/zinc/61/92/65/432619265.db2.gz WJEWKJHTDXBZNQ-SFHVURJKSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157344129 432619268 /nfs/dbraw/zinc/61/92/68/432619268.db2.gz WJEWKJHTDXBZNQ-SFHVURJKSA-N 2 1 302.462 3.100 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000274267093 432645886 /nfs/dbraw/zinc/64/58/86/432645886.db2.gz WAENIWMQSFTXOB-RDTXWAMCSA-N 2 1 308.441 3.364 20 0 DGADMP Brc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000274334649 432652580 /nfs/dbraw/zinc/65/25/80/432652580.db2.gz GTMMWOCSRAGEDO-JKSUJKDBSA-N 2 1 323.278 3.208 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847361 432660728 /nfs/dbraw/zinc/66/07/28/432660728.db2.gz RIRBUQWXQNCSLJ-HOCLYGCPSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847361 432660732 /nfs/dbraw/zinc/66/07/32/432660732.db2.gz RIRBUQWXQNCSLJ-HOCLYGCPSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847361 432660735 /nfs/dbraw/zinc/66/07/35/432660735.db2.gz RIRBUQWXQNCSLJ-HOCLYGCPSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847361 432660738 /nfs/dbraw/zinc/66/07/38/432660738.db2.gz RIRBUQWXQNCSLJ-HOCLYGCPSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3Cl)CC[C@@H]21 ZINC000158847361 432660742 /nfs/dbraw/zinc/66/07/42/432660742.db2.gz RIRBUQWXQNCSLJ-HOCLYGCPSA-N 2 1 308.853 3.135 20 0 DGADMP COCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000178166789 432701421 /nfs/dbraw/zinc/70/14/21/432701421.db2.gz DYCIOBKMPGPSLO-KRWDZBQOSA-N 2 1 304.478 3.364 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274743449 432703865 /nfs/dbraw/zinc/70/38/65/432703865.db2.gz AMJHGJCTUIOIKT-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274803221 432710853 /nfs/dbraw/zinc/71/08/53/432710853.db2.gz VXEKIVHCSGEXKO-WDSOQIARSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870414 432718323 /nfs/dbraw/zinc/71/83/23/432718323.db2.gz FMNFWVHENQPHCZ-SNRMKQJTSA-N 2 1 324.472 3.287 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870414 432718326 /nfs/dbraw/zinc/71/83/26/432718326.db2.gz FMNFWVHENQPHCZ-SNRMKQJTSA-N 2 1 324.472 3.287 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3sccc3Br)C[C@@H]21 ZINC000230045758 432725053 /nfs/dbraw/zinc/72/50/53/432725053.db2.gz BDRYDBOAIQJSEN-JFGNBEQYSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3sccc3Br)C[C@@H]21 ZINC000230045758 432725057 /nfs/dbraw/zinc/72/50/57/432725057.db2.gz BDRYDBOAIQJSEN-JFGNBEQYSA-N 2 1 315.280 3.070 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000177932031 432675844 /nfs/dbraw/zinc/67/58/44/432675844.db2.gz YNXUGSSYFHTOTI-QAPCUYQASA-N 2 1 308.441 3.305 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000177978054 432680370 /nfs/dbraw/zinc/68/03/70/432680370.db2.gz GKRFMOCCFVGFMF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187763475 432683368 /nfs/dbraw/zinc/68/33/68/432683368.db2.gz JSWTUOQOLXWGNX-RTBURBONSA-N 2 1 304.478 3.055 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178037874 432688755 /nfs/dbraw/zinc/68/87/55/432688755.db2.gz XSKMAKNUJQRNQH-YESZJQIVSA-N 2 1 322.468 3.236 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000178071120 432691113 /nfs/dbraw/zinc/69/11/13/432691113.db2.gz UOQHNCQPFJCQBH-APWZRJJASA-N 2 1 316.489 3.236 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178696805 432767793 /nfs/dbraw/zinc/76/77/93/432767793.db2.gz MBVRIIXTXHXXNV-HUUCEWRRSA-N 2 1 301.434 3.057 20 0 DGADMP CCc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237176388 432780501 /nfs/dbraw/zinc/78/05/01/432780501.db2.gz YRIUXSGGAKETDR-CALCHBBNSA-N 2 1 304.478 3.228 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1 ZINC000237254123 432781128 /nfs/dbraw/zinc/78/11/28/432781128.db2.gz IJOCSSGMWSCKTJ-INIZCTEOSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1 ZINC000237254123 432781131 /nfs/dbraw/zinc/78/11/31/432781131.db2.gz IJOCSSGMWSCKTJ-INIZCTEOSA-N 2 1 304.478 3.480 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000231670601 432733062 /nfs/dbraw/zinc/73/30/62/432733062.db2.gz TUVNZHPYHORQGD-AWEZNQCLSA-N 2 1 315.230 3.162 20 0 DGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275678994 432739797 /nfs/dbraw/zinc/73/97/97/432739797.db2.gz WETMZMNNUCRMSE-LSDHHAIUSA-N 2 1 301.409 3.196 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2Br)CC[NH2+]1 ZINC000235379741 432743163 /nfs/dbraw/zinc/74/31/63/432743163.db2.gz GKEDHSOVJHUUHC-OLZOCXBDSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2Br)CC[NH2+]1 ZINC000235659740 432744499 /nfs/dbraw/zinc/74/44/99/432744499.db2.gz GKEDHSOVJHUUHC-QWHCGFSZSA-N 2 1 311.267 3.269 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1C ZINC000178522913 432746395 /nfs/dbraw/zinc/74/63/95/432746395.db2.gz BABPOYCEBJDAKK-QGZVFWFLSA-N 2 1 304.478 3.109 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000162561397 432826993 /nfs/dbraw/zinc/82/69/93/432826993.db2.gz OQHRZIODGIZUJV-LBPRGKRZSA-N 2 1 316.342 3.418 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000277082339 432828833 /nfs/dbraw/zinc/82/88/33/432828833.db2.gz QKBGNWYLPDUPKO-ZTFGCOKTSA-N 2 1 324.415 3.259 20 0 DGADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000162781125 432835014 /nfs/dbraw/zinc/83/50/14/432835014.db2.gz PLXADCDPAHFJAQ-QGZVFWFLSA-N 2 1 305.466 3.282 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1O ZINC000277310613 432836895 /nfs/dbraw/zinc/83/68/95/432836895.db2.gz VTVDMNFQAVXXIE-OAHLLOKOSA-N 2 1 320.477 3.186 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1O ZINC000277310613 432836898 /nfs/dbraw/zinc/83/68/98/432836898.db2.gz VTVDMNFQAVXXIE-OAHLLOKOSA-N 2 1 320.477 3.186 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCN(c2ccc(F)cc2)CC1 ZINC000162924089 432837602 /nfs/dbraw/zinc/83/76/02/432837602.db2.gz DHLVNCMGIBZRMK-UHFFFAOYSA-N 2 1 319.468 3.212 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000276328176 432798561 /nfs/dbraw/zinc/79/85/61/432798561.db2.gz IDUCGLATFBJFBV-ZDUSSCGKSA-N 2 1 303.454 3.192 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000162014888 432808417 /nfs/dbraw/zinc/80/84/17/432808417.db2.gz XVNNXQFXTKGRHZ-UHFFFAOYSA-N 2 1 312.461 3.467 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000245851808 432864921 /nfs/dbraw/zinc/86/49/21/432864921.db2.gz GHMKSZKKBSTOIJ-QRQLOZEOSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245925665 432869805 /nfs/dbraw/zinc/86/98/05/432869805.db2.gz YUXZBWYPLYJNAH-JZXOWHBKSA-N 2 1 318.509 3.219 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C12CCCC2 ZINC000245937910 432871257 /nfs/dbraw/zinc/87/12/57/432871257.db2.gz UIRVVRUYKBOOMM-BHYGNILZSA-N 2 1 305.466 3.155 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278073198 432882941 /nfs/dbraw/zinc/88/29/41/432882941.db2.gz ZKPBPRONNOEMFV-ROUUACIJSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278073198 432882942 /nfs/dbraw/zinc/88/29/42/432882942.db2.gz ZKPBPRONNOEMFV-ROUUACIJSA-N 2 1 304.478 3.017 20 0 DGADMP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277375826 432843377 /nfs/dbraw/zinc/84/33/77/432843377.db2.gz GABZCZWZERZMNY-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COCCCOc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277375826 432843380 /nfs/dbraw/zinc/84/33/80/432843380.db2.gz GABZCZWZERZMNY-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP CCOCc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000277429823 432848984 /nfs/dbraw/zinc/84/89/84/432848984.db2.gz JKWGEAZSVYQDQT-GOSISDBHSA-N 2 1 320.477 3.148 20 0 DGADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000277429823 432848987 /nfs/dbraw/zinc/84/89/87/432848987.db2.gz JKWGEAZSVYQDQT-GOSISDBHSA-N 2 1 320.477 3.148 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)COc2ccccc2OC)[C@@H](C)C1 ZINC000245611425 432849025 /nfs/dbraw/zinc/84/90/25/432849025.db2.gz SVGGCHXGHDRPHW-IKGGRYGDSA-N 2 1 320.477 3.030 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245598705 432849428 /nfs/dbraw/zinc/84/94/28/432849428.db2.gz IDLCXMJTQWRTMG-DLBZAZTESA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245598705 432849430 /nfs/dbraw/zinc/84/94/30/432849430.db2.gz IDLCXMJTQWRTMG-DLBZAZTESA-N 2 1 317.433 3.153 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000245621926 432850092 /nfs/dbraw/zinc/85/00/92/432850092.db2.gz PMVQCBKXSWDGDV-OQIJWPOYSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000245621926 432850095 /nfs/dbraw/zinc/85/00/95/432850095.db2.gz PMVQCBKXSWDGDV-OQIJWPOYSA-N 2 1 316.489 3.443 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277542118 432858899 /nfs/dbraw/zinc/85/88/99/432858899.db2.gz QJHQRAYNLLQMMN-GOSISDBHSA-N 2 1 312.461 3.301 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277542118 432858901 /nfs/dbraw/zinc/85/89/01/432858901.db2.gz QJHQRAYNLLQMMN-GOSISDBHSA-N 2 1 312.461 3.301 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2cccnc2)C3)cc1 ZINC000245724065 432859087 /nfs/dbraw/zinc/85/90/87/432859087.db2.gz PCOTUHLXSWSZCY-ACDBMABISA-N 2 1 307.441 3.367 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccnc2)C3)cc1 ZINC000245724065 432859090 /nfs/dbraw/zinc/85/90/90/432859090.db2.gz PCOTUHLXSWSZCY-ACDBMABISA-N 2 1 307.441 3.367 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279020333 432926664 /nfs/dbraw/zinc/92/66/64/432926664.db2.gz UVIWCIIMEGHGED-OWCLPIDISA-N 2 1 313.445 3.236 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000289247845 432937702 /nfs/dbraw/zinc/93/77/02/432937702.db2.gz FAAKJMVBRHBCTM-UXHICEINSA-N 2 1 312.457 3.277 20 0 DGADMP CCC(=O)CCC[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000289251864 432937727 /nfs/dbraw/zinc/93/77/27/432937727.db2.gz BLSKSAUZZWGUHR-UHFFFAOYSA-N 2 1 317.477 3.379 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289262677 432939318 /nfs/dbraw/zinc/93/93/18/432939318.db2.gz OKTFFBHLGZGNFD-OXQOHEQNSA-N 2 1 315.505 3.098 20 0 DGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278584553 432896966 /nfs/dbraw/zinc/89/69/66/432896966.db2.gz QGDITXYQFIMJRF-SQNIBIBYSA-N 2 1 304.478 3.269 20 0 DGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278584553 432896969 /nfs/dbraw/zinc/89/69/69/432896969.db2.gz QGDITXYQFIMJRF-SQNIBIBYSA-N 2 1 304.478 3.269 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3ccccc3)C2)CCCO1 ZINC000278797792 432901362 /nfs/dbraw/zinc/90/13/62/432901362.db2.gz YZQOAVSGRXXQME-IPJUCJBFSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccccc3)C2)CCCO1 ZINC000278797792 432901365 /nfs/dbraw/zinc/90/13/65/432901365.db2.gz YZQOAVSGRXXQME-IPJUCJBFSA-N 2 1 302.462 3.023 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2ccncc2)C3)cc1 ZINC000278839701 432907058 /nfs/dbraw/zinc/90/70/58/432907058.db2.gz UTZJCKLSSGXEKX-WKCHPHFGSA-N 2 1 321.468 3.409 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000296487939 432913682 /nfs/dbraw/zinc/91/36/82/432913682.db2.gz PMSJKNDUFSSHCZ-ROUUACIJSA-N 2 1 324.472 3.218 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(F)ncc2F)c1 ZINC000296505712 432916206 /nfs/dbraw/zinc/91/62/06/432916206.db2.gz RELCJISZBNKTKV-UHFFFAOYSA-N 2 1 319.399 3.491 20 0 DGADMP Cc1noc(C)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278913603 432916978 /nfs/dbraw/zinc/91/69/78/432916978.db2.gz QSBKTPSVUWPFLQ-UHFFFAOYSA-N 2 1 314.433 3.204 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000296508673 432917537 /nfs/dbraw/zinc/91/75/37/432917537.db2.gz RJGYFFLBBLFTTB-JTDSTZFVSA-N 2 1 302.462 3.115 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000278954512 432921041 /nfs/dbraw/zinc/92/10/41/432921041.db2.gz LUIDWMUMOIPHDT-CZUORRHYSA-N 2 1 315.392 3.088 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278965303 432922061 /nfs/dbraw/zinc/92/20/61/432922061.db2.gz MWKJKLOPBLXZLJ-HZPDHXFCSA-N 2 1 313.445 3.422 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000289589789 432969064 /nfs/dbraw/zinc/96/90/64/432969064.db2.gz BYMMBROFPGGBLH-FFZOFVMBSA-N 2 1 316.489 3.185 20 0 DGADMP OC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290155864 433003569 /nfs/dbraw/zinc/00/35/69/433003569.db2.gz LQFNBNFBHBQGPJ-HDYDNRTBSA-N 2 1 316.489 3.182 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000280211186 433016495 /nfs/dbraw/zinc/01/64/95/433016495.db2.gz KQLMSNKHBMHPFL-SFHVURJKSA-N 2 1 315.461 3.094 20 0 DGADMP CCOc1cc(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(Cl)c1O ZINC000297777931 433017320 /nfs/dbraw/zinc/01/73/20/433017320.db2.gz VZMNIECZMLTAII-ABAIWWIYSA-N 2 1 324.852 3.017 20 0 DGADMP CCOc1cc(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc(Cl)c1O ZINC000297777931 433017323 /nfs/dbraw/zinc/01/73/23/433017323.db2.gz VZMNIECZMLTAII-ABAIWWIYSA-N 2 1 324.852 3.017 20 0 DGADMP COC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000290365013 433038542 /nfs/dbraw/zinc/03/85/42/433038542.db2.gz QYNJRWWEJPTWHX-BBWFWOEESA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000349965335 433042943 /nfs/dbraw/zinc/04/29/43/433042943.db2.gz FKOCBOODJCSFAA-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCc2ccc3c(c2)CCO3)CC1 ZINC000280441349 433051492 /nfs/dbraw/zinc/05/14/92/433051492.db2.gz COXJBJZYNJBRLQ-UHFFFAOYSA-N 2 1 316.489 3.359 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417611 433047552 /nfs/dbraw/zinc/04/75/52/433047552.db2.gz KLJHWKSLUTXRDW-PBHICJAKSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417611 433047557 /nfs/dbraw/zinc/04/75/57/433047557.db2.gz KLJHWKSLUTXRDW-PBHICJAKSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417611 433047561 /nfs/dbraw/zinc/04/75/61/433047561.db2.gz KLJHWKSLUTXRDW-PBHICJAKSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417611 433047565 /nfs/dbraw/zinc/04/75/65/433047565.db2.gz KLJHWKSLUTXRDW-PBHICJAKSA-N 2 1 318.461 3.104 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)CC1 ZINC000290471207 433058939 /nfs/dbraw/zinc/05/89/39/433058939.db2.gz NNCAWQSVKZZPEZ-IBGZPJMESA-N 2 1 312.457 3.126 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000341458542 433072013 /nfs/dbraw/zinc/07/20/13/433072013.db2.gz DEKSWJUWZLEAHM-CQSZACIVSA-N 2 1 317.433 3.340 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1sccc1OC ZINC000290515101 433076440 /nfs/dbraw/zinc/07/64/40/433076440.db2.gz PUVYTZSTZLIWHX-UHFFFAOYSA-N 2 1 307.463 3.428 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1sccc1OC ZINC000290515101 433076446 /nfs/dbraw/zinc/07/64/46/433076446.db2.gz PUVYTZSTZLIWHX-UHFFFAOYSA-N 2 1 307.463 3.428 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000453319316 433084857 /nfs/dbraw/zinc/08/48/57/433084857.db2.gz KLVLNIBRQYCXES-JLJPHGGASA-N 2 1 310.869 3.142 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C(C)C ZINC000354453609 433090588 /nfs/dbraw/zinc/09/05/88/433090588.db2.gz DPMPJNBSEOYHPR-SJLPKXTDSA-N 2 1 306.498 3.454 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000280574148 433092559 /nfs/dbraw/zinc/09/25/59/433092559.db2.gz SFBPVBGAASRMNL-UHFFFAOYSA-N 2 1 318.505 3.096 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000446748503 433097556 /nfs/dbraw/zinc/09/75/56/433097556.db2.gz PUEYCRIAQZAXDT-ZCNNSNEGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000361343854 433121348 /nfs/dbraw/zinc/12/13/48/433121348.db2.gz MOUNUNSRZSNJHQ-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000361343854 433121355 /nfs/dbraw/zinc/12/13/55/433121355.db2.gz MOUNUNSRZSNJHQ-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361348330 433122067 /nfs/dbraw/zinc/12/20/67/433122067.db2.gz JMZBITDAOBRTBV-APWZRJJASA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000361348330 433122075 /nfs/dbraw/zinc/12/20/75/433122075.db2.gz JMZBITDAOBRTBV-APWZRJJASA-N 2 1 302.462 3.056 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000290632429 433125389 /nfs/dbraw/zinc/12/53/89/433125389.db2.gz YAPWLIGDEAYQAN-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000290632429 433125398 /nfs/dbraw/zinc/12/53/98/433125398.db2.gz YAPWLIGDEAYQAN-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000290632429 433125408 /nfs/dbraw/zinc/12/54/08/433125408.db2.gz YAPWLIGDEAYQAN-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000290632429 433125419 /nfs/dbraw/zinc/12/54/19/433125419.db2.gz YAPWLIGDEAYQAN-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365488 433132395 /nfs/dbraw/zinc/13/23/95/433132395.db2.gz KPSMHJPXXIBXBV-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365488 433132401 /nfs/dbraw/zinc/13/24/01/433132401.db2.gz KPSMHJPXXIBXBV-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000290658160 433134641 /nfs/dbraw/zinc/13/46/41/433134641.db2.gz ZNKFPDOPPNXILF-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccnn1-c1ccccc1C ZINC000354553816 433147825 /nfs/dbraw/zinc/14/78/25/433147825.db2.gz WHSLRZWAEVRBNK-UHFFFAOYSA-N 2 1 300.450 3.002 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(OC(F)(F)F)c1 ZINC000420299644 433148496 /nfs/dbraw/zinc/14/84/96/433148496.db2.gz JDFFUGJHTPKEDY-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)ccc1SC ZINC000420297939 433149646 /nfs/dbraw/zinc/14/96/46/433149646.db2.gz GRMCAAMTYFVJGU-CQSZACIVSA-N 2 1 308.491 3.239 20 0 DGADMP CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC000453393259 433150036 /nfs/dbraw/zinc/15/00/36/433150036.db2.gz ZWZOABGMMMZWBA-REPLKXPHSA-N 2 1 314.473 3.198 20 0 DGADMP Cc1ccc(CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000420299808 433151909 /nfs/dbraw/zinc/15/19/09/433151909.db2.gz JIICUUJQJDWVGB-WOJBJXKFSA-N 2 1 316.489 3.018 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000420304848 433152062 /nfs/dbraw/zinc/15/20/62/433152062.db2.gz OTVUKURULDUPHG-YOEHRIQHSA-N 2 1 314.429 3.136 20 0 DGADMP c1ccc(CCCO[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420310574 433153512 /nfs/dbraw/zinc/15/35/12/433153512.db2.gz VECFIPMKQZWMMU-VQTJNVASSA-N 2 1 316.489 3.100 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354486765 433109900 /nfs/dbraw/zinc/10/99/00/433109900.db2.gz BKHNUVUGIIJUCV-DLBZAZTESA-N 2 1 312.461 3.143 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000361330812 433112684 /nfs/dbraw/zinc/11/26/84/433112684.db2.gz KGVPABDAEGBWNJ-SFHVURJKSA-N 2 1 319.493 3.196 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1nc2cccnc2s1)CC1CCCC1 ZINC000420307291 433154037 /nfs/dbraw/zinc/15/40/37/433154037.db2.gz BXDUQAFSYHLKQC-UHFFFAOYSA-N 2 1 304.463 3.032 20 0 DGADMP [NH3+]CCC[N@H+](Cc1nc2cccnc2s1)CC1CCCC1 ZINC000420307291 433154044 /nfs/dbraw/zinc/15/40/44/433154044.db2.gz BXDUQAFSYHLKQC-UHFFFAOYSA-N 2 1 304.463 3.032 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000361345244 433120191 /nfs/dbraw/zinc/12/01/91/433120191.db2.gz IGLOKMGXLFCYMO-ICSRJNTNSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403504 433158116 /nfs/dbraw/zinc/15/81/16/433158116.db2.gz OOXJUGBPYLUXFP-PXNSSMCTSA-N 3 1 321.553 3.494 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420315741 433158571 /nfs/dbraw/zinc/15/85/71/433158571.db2.gz LFEDWRHOCTVOOR-QAPCUYQASA-N 2 1 312.461 3.100 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420314919 433161528 /nfs/dbraw/zinc/16/15/28/433161528.db2.gz KNRNSDRMQCFOCQ-CRAIPNDOSA-N 2 1 312.461 3.193 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[NH2+]C(C)(C)c2nc(C)cs2)cc1 ZINC000420316930 433161928 /nfs/dbraw/zinc/16/19/28/433161928.db2.gz MOSJLXPCQCNXET-AWEZNQCLSA-N 2 1 319.474 3.027 20 0 DGADMP Cc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)Cc2ccccn2)c1 ZINC000420319198 433162103 /nfs/dbraw/zinc/16/21/03/433162103.db2.gz OXQYBZAYGUSQHD-GOSISDBHSA-N 2 1 309.457 3.392 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420314543 433162883 /nfs/dbraw/zinc/16/28/83/433162883.db2.gz KINMFVGDYYUNPD-QFBILLFUSA-N 2 1 301.478 3.279 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420324696 433163983 /nfs/dbraw/zinc/16/39/83/433163983.db2.gz HNHSWBKYISCHPE-FQEVSTJZSA-N 2 1 324.468 3.070 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000453408218 433164916 /nfs/dbraw/zinc/16/49/16/433164916.db2.gz SOTQQGQEQVDXPM-QGZVFWFLSA-N 2 1 316.424 3.102 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330259 433166885 /nfs/dbraw/zinc/16/68/85/433166885.db2.gz APQXFDKTBIQTNC-ROUUACIJSA-N 2 1 302.462 3.004 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000420322175 433167916 /nfs/dbraw/zinc/16/79/16/433167916.db2.gz SDFKJPHYJCHWHF-UYAOXDASSA-N 2 1 324.468 3.302 20 0 DGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420331038 433168032 /nfs/dbraw/zinc/16/80/32/433168032.db2.gz QMUYEEYMBIPJKD-ZIAGYGMSSA-N 2 1 307.507 3.262 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420331684 433169947 /nfs/dbraw/zinc/16/99/47/433169947.db2.gz IUBFYBHMEPKAPJ-CALCHBBNSA-N 2 1 311.429 3.081 20 0 DGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000420339131 433170864 /nfs/dbraw/zinc/17/08/64/433170864.db2.gz QNMRVMKARDNZLJ-XJKSGUPXSA-N 2 1 323.506 3.205 20 0 DGADMP Cc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)n2C)s1 ZINC000425337585 433171805 /nfs/dbraw/zinc/17/18/05/433171805.db2.gz NZATZLHWFYAXLC-CQSZACIVSA-N 2 1 304.463 3.193 20 0 DGADMP Cc1ccc([C@H]2CCCN2Cc2cnc(N(C)C)n2C)s1 ZINC000425337585 433171813 /nfs/dbraw/zinc/17/18/13/433171813.db2.gz NZATZLHWFYAXLC-CQSZACIVSA-N 2 1 304.463 3.193 20 0 DGADMP Clc1cccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355370 433174653 /nfs/dbraw/zinc/17/46/53/433174653.db2.gz FJWVDGXGBBQTGO-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP Clc1cccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355370 433174661 /nfs/dbraw/zinc/17/46/61/433174661.db2.gz FJWVDGXGBBQTGO-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP CN(C)c1ncc(C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)n1C ZINC000425337827 433174882 /nfs/dbraw/zinc/17/48/82/433174882.db2.gz OINCBEFOBNMXBO-QGZVFWFLSA-N 2 1 312.461 3.112 20 0 DGADMP CCSCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336699785 433178976 /nfs/dbraw/zinc/17/89/76/433178976.db2.gz DHODOPWZNNXGRM-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336699785 433178982 /nfs/dbraw/zinc/17/89/82/433178982.db2.gz DHODOPWZNNXGRM-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336699785 433178990 /nfs/dbraw/zinc/17/89/90/433178990.db2.gz DHODOPWZNNXGRM-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420363089 433183505 /nfs/dbraw/zinc/18/35/05/433183505.db2.gz OXNBSYNAMQVMPF-HZPDHXFCSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363089 433183513 /nfs/dbraw/zinc/18/35/13/433183513.db2.gz OXNBSYNAMQVMPF-HZPDHXFCSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363089 433183517 /nfs/dbraw/zinc/18/35/17/433183517.db2.gz OXNBSYNAMQVMPF-HZPDHXFCSA-N 2 1 312.461 3.050 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453433521 433183658 /nfs/dbraw/zinc/18/36/58/433183658.db2.gz SPBRCYAWQBVTPT-HOCLYGCPSA-N 2 1 318.452 3.148 20 0 DGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000420375811 433187710 /nfs/dbraw/zinc/18/77/10/433187710.db2.gz PTHJASGRVSSADH-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000425378184 433210657 /nfs/dbraw/zinc/21/06/57/433210657.db2.gz IWZZFOPLAFXOOV-OAHLLOKOSA-N 2 1 308.416 3.437 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453444358 433192022 /nfs/dbraw/zinc/19/20/22/433192022.db2.gz ZFTCYXDJHJAAIL-YIDVYQOGSA-N 2 1 308.491 3.287 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000420394372 433196576 /nfs/dbraw/zinc/19/65/76/433196576.db2.gz KIZBHMOKWCVOMM-DOMZBBRYSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000420394372 433196583 /nfs/dbraw/zinc/19/65/83/433196583.db2.gz KIZBHMOKWCVOMM-DOMZBBRYSA-N 2 1 313.367 3.064 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420396643 433198760 /nfs/dbraw/zinc/19/87/60/433198760.db2.gz MBJOSRWAULIGGU-QFBILLFUSA-N 2 1 311.429 3.306 20 0 DGADMP c1c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420396643 433198764 /nfs/dbraw/zinc/19/87/64/433198764.db2.gz MBJOSRWAULIGGU-QFBILLFUSA-N 2 1 311.429 3.306 20 0 DGADMP CCC[N@H+](C)Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000350594102 433219034 /nfs/dbraw/zinc/21/90/34/433219034.db2.gz JHNKORYDEPHEKH-UHFFFAOYSA-N 2 1 314.433 3.174 20 0 DGADMP CCC[N@@H+](C)Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000350594102 433219046 /nfs/dbraw/zinc/21/90/46/433219046.db2.gz JHNKORYDEPHEKH-UHFFFAOYSA-N 2 1 314.433 3.174 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)cc2c1OCC2)C1CC1 ZINC000453590123 433219416 /nfs/dbraw/zinc/21/94/16/433219416.db2.gz AQCJSJHJHKKDRH-UHFFFAOYSA-N 2 1 308.853 3.239 20 0 DGADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000298731618 433227091 /nfs/dbraw/zinc/22/70/91/433227091.db2.gz PGKHIJUOCXBRQJ-CQSZACIVSA-N 2 1 324.415 3.070 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000350619585 433231131 /nfs/dbraw/zinc/23/11/31/433231131.db2.gz RFGPGMVVBKKTSN-AWEZNQCLSA-N 2 1 306.450 3.072 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000350892853 433319194 /nfs/dbraw/zinc/31/91/94/433319194.db2.gz FCTPMUBVPGCBRZ-HOJAQTOUSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000350892853 433319207 /nfs/dbraw/zinc/31/92/07/433319207.db2.gz FCTPMUBVPGCBRZ-HOJAQTOUSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@H](C1CCC1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420927827 433325620 /nfs/dbraw/zinc/32/56/20/433325620.db2.gz CIPSLZLGEJZABR-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420927827 433325627 /nfs/dbraw/zinc/32/56/27/433325627.db2.gz CIPSLZLGEJZABR-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]([NH2+]CC[C@H](O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051103 433305520 /nfs/dbraw/zinc/30/55/20/433305520.db2.gz SCQYFUPHHZBEFE-HQRMLTQVSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@@H]([N@@H+](C)Cc1ccc(CN2CCOCC2)cc1)C1(C)CC1 ZINC000420913240 433308230 /nfs/dbraw/zinc/30/82/30/433308230.db2.gz IQZDGSGOUKLRJM-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]([N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C)CC1 ZINC000420913240 433308237 /nfs/dbraw/zinc/30/82/37/433308237.db2.gz IQZDGSGOUKLRJM-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]([N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C)CC1 ZINC000420913240 433308241 /nfs/dbraw/zinc/30/82/41/433308241.db2.gz IQZDGSGOUKLRJM-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP CCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000291789317 433354422 /nfs/dbraw/zinc/35/44/22/433354422.db2.gz VYODURJKIQFLMU-UHFFFAOYSA-N 2 1 316.489 3.447 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC000420985504 433367455 /nfs/dbraw/zinc/36/74/55/433367455.db2.gz WBCULQZOKPCJLE-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361748115 433369190 /nfs/dbraw/zinc/36/91/90/433369190.db2.gz GRLPJNNIYNKIEF-BVBHFADKSA-N 2 1 302.462 3.287 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361748115 433369196 /nfs/dbraw/zinc/36/91/96/433369196.db2.gz GRLPJNNIYNKIEF-BVBHFADKSA-N 2 1 302.462 3.287 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1)C2 ZINC000425936230 433376919 /nfs/dbraw/zinc/37/69/19/433376919.db2.gz LQPFKTFKMLTECV-JZXOWHBKSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1)C2 ZINC000425936230 433376929 /nfs/dbraw/zinc/37/69/29/433376929.db2.gz LQPFKTFKMLTECV-JZXOWHBKSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)c(F)c1)C[NH+](C)C ZINC000425935117 433378377 /nfs/dbraw/zinc/37/83/77/433378377.db2.gz GYSRAKPFYLUKDF-GHMZBOCLSA-N 2 1 317.246 3.437 20 0 DGADMP COC1(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000338943222 433327888 /nfs/dbraw/zinc/32/78/88/433327888.db2.gz WBNNRIZNUCGWSQ-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885719 433334045 /nfs/dbraw/zinc/33/40/45/433334045.db2.gz FZCACZPFVUTRPU-IUODEOHRSA-N 2 1 315.383 3.405 20 0 DGADMP Fc1ccc(OCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339066383 433337410 /nfs/dbraw/zinc/33/74/10/433337410.db2.gz BIQJGZSNELHILJ-DLBZAZTESA-N 2 1 306.425 3.201 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339068860 433341355 /nfs/dbraw/zinc/34/13/55/433341355.db2.gz IAVXBQMBSYBGLZ-XWSJACJDSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339068860 433341362 /nfs/dbraw/zinc/34/13/62/433341362.db2.gz IAVXBQMBSYBGLZ-XWSJACJDSA-N 2 1 300.446 3.123 20 0 DGADMP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950510 433343492 /nfs/dbraw/zinc/34/34/92/433343492.db2.gz RIFIWRIKTOEGJX-QFBILLFUSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950510 433343505 /nfs/dbraw/zinc/34/35/05/433343505.db2.gz RIFIWRIKTOEGJX-QFBILLFUSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414083879 433384680 /nfs/dbraw/zinc/38/46/80/433384680.db2.gz XFRCRYYFDUOPEJ-HOTGVXAUSA-N 2 1 304.482 3.135 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@@H](C)C1 ZINC000361816330 433405203 /nfs/dbraw/zinc/40/52/03/433405203.db2.gz XVZNMEBSTNUMRG-KBPBESRZSA-N 2 1 310.404 3.056 20 0 DGADMP Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000301095136 433415063 /nfs/dbraw/zinc/41/50/63/433415063.db2.gz IPIKEHPDIUAHHB-OAHLLOKOSA-N 2 1 316.474 3.479 20 0 DGADMP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000301095136 433415068 /nfs/dbraw/zinc/41/50/68/433415068.db2.gz IPIKEHPDIUAHHB-OAHLLOKOSA-N 2 1 316.474 3.479 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000414169168 433435504 /nfs/dbraw/zinc/43/55/04/433435504.db2.gz AZNAYYAUYBZQMF-RDJZCZTQSA-N 2 1 304.482 3.353 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000361891757 433439994 /nfs/dbraw/zinc/43/99/94/433439994.db2.gz INYIVPPUEDPEDT-KRWDZBQOSA-N 2 1 305.466 3.010 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000414174982 433443169 /nfs/dbraw/zinc/44/31/69/433443169.db2.gz HWGKIVVDFJVZLP-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cn(C)nc1C ZINC000361923084 433452362 /nfs/dbraw/zinc/45/23/62/433452362.db2.gz KEOCRBGTTDOQIZ-QILLFSRXSA-N 2 1 306.498 3.280 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000414195083 433452799 /nfs/dbraw/zinc/45/27/99/433452799.db2.gz UPWXUXZBCMULLO-ZIAGYGMSSA-N 2 1 307.507 3.404 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000361922451 433453186 /nfs/dbraw/zinc/45/31/86/433453186.db2.gz IVTOOOODIDEAND-XYJFISCASA-N 2 1 306.498 3.454 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342082415 433456260 /nfs/dbraw/zinc/45/62/60/433456260.db2.gz IYZAHEAXSMXTFM-XLNGHYISSA-N 2 1 311.429 3.462 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000414202904 433457014 /nfs/dbraw/zinc/45/70/14/433457014.db2.gz ZLVUKBGFSMHANM-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000342081514 433458074 /nfs/dbraw/zinc/45/80/74/433458074.db2.gz HAPQUEWFVFFCJD-IHPCNDPISA-N 2 1 324.472 3.048 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414201754 433458075 /nfs/dbraw/zinc/45/80/75/433458075.db2.gz YOZGDXPPMQBAQF-BEFAXECRSA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414201757 433459268 /nfs/dbraw/zinc/45/92/68/433459268.db2.gz YOZGDXPPMQBAQF-KXBFYZLASA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233742 290020602 /nfs/dbraw/zinc/02/06/02/290020602.db2.gz MVEMBDOWEVIURP-GVDBMIGSSA-N 2 1 306.494 3.331 20 0 DGADMP Cc1cc(Cl)cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000339235466 433460303 /nfs/dbraw/zinc/46/03/03/433460303.db2.gz HYEGPAZAHHQHFC-UHFFFAOYSA-N 2 1 323.912 3.012 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]21 ZINC000342106118 433471526 /nfs/dbraw/zinc/47/15/26/433471526.db2.gz OVGAFSBJJJOWPB-DUVNUKRYSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]21 ZINC000342106118 433471535 /nfs/dbraw/zinc/47/15/35/433471535.db2.gz OVGAFSBJJJOWPB-DUVNUKRYSA-N 2 1 315.392 3.040 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000426365963 433478383 /nfs/dbraw/zinc/47/83/83/433478383.db2.gz NZMNHDSIAPAJDI-DOTOQJQBSA-N 2 1 320.477 3.043 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccsc2C)[C@@H](C)C1 ZINC000339267272 433482858 /nfs/dbraw/zinc/48/28/58/433482858.db2.gz ZLOHVBLOSYYHDD-YOEHRIQHSA-N 2 1 310.507 3.283 20 0 DGADMP CCN(Cc1ccc2ccccc2c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351437499 433511997 /nfs/dbraw/zinc/51/19/97/433511997.db2.gz BUDROCYLECOCKF-HXUWFJFHSA-N 2 1 312.457 3.117 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)oc1C ZINC000282160963 433515371 /nfs/dbraw/zinc/51/53/71/433515371.db2.gz LSGWMGJYCQMLLF-CQSZACIVSA-N 2 1 317.433 3.083 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667491 433520736 /nfs/dbraw/zinc/52/07/36/433520736.db2.gz YIWHKDPOLDMNNJ-DNVCBOLYSA-N 2 1 324.472 3.266 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667491 433520743 /nfs/dbraw/zinc/52/07/43/433520743.db2.gz YIWHKDPOLDMNNJ-DNVCBOLYSA-N 2 1 324.472 3.266 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]12 ZINC000351474170 433521109 /nfs/dbraw/zinc/52/11/09/433521109.db2.gz FSJWHTDEEYZUEY-APHBMKBZSA-N 2 1 317.820 3.164 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667492 433522075 /nfs/dbraw/zinc/52/20/75/433522075.db2.gz YIWHKDPOLDMNNJ-HNAYVOBHSA-N 2 1 324.472 3.266 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667492 433522079 /nfs/dbraw/zinc/52/20/79/433522079.db2.gz YIWHKDPOLDMNNJ-HNAYVOBHSA-N 2 1 324.472 3.266 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)C(C)C ZINC000414299986 433524337 /nfs/dbraw/zinc/52/43/37/433524337.db2.gz RZSXMTZGESTZGW-OALUTQOASA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](O)C(C)C ZINC000414299187 433526038 /nfs/dbraw/zinc/52/60/38/433526038.db2.gz RHPSROQZSDIBCC-LMCOJAPRSA-N 2 1 318.505 3.425 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](O)C(C)C ZINC000414299187 433526048 /nfs/dbraw/zinc/52/60/48/433526048.db2.gz RHPSROQZSDIBCC-LMCOJAPRSA-N 2 1 318.505 3.425 20 0 DGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351511795 433541441 /nfs/dbraw/zinc/54/14/41/433541441.db2.gz DFVMBWYWBCRGEL-ZVZYQTTQSA-N 2 1 320.477 3.070 20 0 DGADMP CCc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000301376711 433529115 /nfs/dbraw/zinc/52/91/15/433529115.db2.gz XWZPALVOHMPUPO-UHFFFAOYSA-N 2 1 310.445 3.424 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]21 ZINC000355203047 433530424 /nfs/dbraw/zinc/53/04/24/433530424.db2.gz WRDKSGSWUDFHJZ-AEFFLSMTSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]21 ZINC000355203047 433530437 /nfs/dbraw/zinc/53/04/37/433530437.db2.gz WRDKSGSWUDFHJZ-AEFFLSMTSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]21 ZINC000355203047 433530446 /nfs/dbraw/zinc/53/04/46/433530446.db2.gz WRDKSGSWUDFHJZ-AEFFLSMTSA-N 2 1 314.473 3.316 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000342133216 433486312 /nfs/dbraw/zinc/48/63/12/433486312.db2.gz XWKWANGQYPQRPF-OAHLLOKOSA-N 2 1 320.477 3.366 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000342133216 433486325 /nfs/dbraw/zinc/48/63/25/433486325.db2.gz XWKWANGQYPQRPF-OAHLLOKOSA-N 2 1 320.477 3.366 20 0 DGADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282127149 433504841 /nfs/dbraw/zinc/50/48/41/433504841.db2.gz BDNQFBLOUWTLNK-GOSISDBHSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000414280149 433510012 /nfs/dbraw/zinc/51/00/12/433510012.db2.gz KPGZHWMDDCWCKA-UNNPPQAFSA-N 2 1 316.489 3.300 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H](C)C1 ZINC000414338245 433552094 /nfs/dbraw/zinc/55/20/94/433552094.db2.gz KBEBNDRAIZTXOD-CBVHJVASSA-N 2 1 302.462 3.119 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)on1 ZINC000351537576 433558060 /nfs/dbraw/zinc/55/80/60/433558060.db2.gz QCZMXRSSKSSWAM-MRXNPFEDSA-N 2 1 305.466 3.460 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000414345914 433560709 /nfs/dbraw/zinc/56/07/09/433560709.db2.gz UHQZFSBJYQMFFX-NZMUHZMNSA-N 2 1 302.462 3.117 20 0 DGADMP CCOc1ccc(OCCN2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000375810719 433576475 /nfs/dbraw/zinc/57/64/75/433576475.db2.gz GOGSJLAXZGXOHU-UHFFFAOYSA-N 2 1 318.461 3.024 20 0 DGADMP CCOc1ccc(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000375810719 433576489 /nfs/dbraw/zinc/57/64/89/433576489.db2.gz GOGSJLAXZGXOHU-UHFFFAOYSA-N 2 1 318.461 3.024 20 0 DGADMP CCOc1ccc(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000375810719 433576495 /nfs/dbraw/zinc/57/64/95/433576495.db2.gz GOGSJLAXZGXOHU-UHFFFAOYSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000362199686 433577889 /nfs/dbraw/zinc/57/78/89/433577889.db2.gz JTJGGQZKJPFAJD-HDMKZQKVSA-N 2 1 316.445 3.125 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCCO2 ZINC000362199686 433577899 /nfs/dbraw/zinc/57/78/99/433577899.db2.gz JTJGGQZKJPFAJD-HDMKZQKVSA-N 2 1 316.445 3.125 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602901 433584359 /nfs/dbraw/zinc/58/43/59/433584359.db2.gz WBEIWTGVAZAJPZ-IEBWSBKVSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602901 433584367 /nfs/dbraw/zinc/58/43/67/433584367.db2.gz WBEIWTGVAZAJPZ-IEBWSBKVSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000292602901 433584372 /nfs/dbraw/zinc/58/43/72/433584372.db2.gz WBEIWTGVAZAJPZ-IEBWSBKVSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000292602901 433584379 /nfs/dbraw/zinc/58/43/79/433584379.db2.gz WBEIWTGVAZAJPZ-IEBWSBKVSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301510417 433587555 /nfs/dbraw/zinc/58/75/55/433587555.db2.gz IJLVMSNETQTHQI-HNNXBMFYSA-N 2 1 317.408 3.143 20 0 DGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000282398797 433592864 /nfs/dbraw/zinc/59/28/64/433592864.db2.gz XUBNZRCVTJYQLQ-QUCCMNQESA-N 2 1 316.489 3.230 20 0 DGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000282398797 433592872 /nfs/dbraw/zinc/59/28/72/433592872.db2.gz XUBNZRCVTJYQLQ-QUCCMNQESA-N 2 1 316.489 3.230 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000362314667 433638775 /nfs/dbraw/zinc/63/87/75/433638775.db2.gz GHNGEDFBSKZWFO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000362314667 433638786 /nfs/dbraw/zinc/63/87/86/433638786.db2.gz GHNGEDFBSKZWFO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000362314667 433638794 /nfs/dbraw/zinc/63/87/94/433638794.db2.gz GHNGEDFBSKZWFO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C(C)(C)C[NH+]1CCCC1)CC2 ZINC000448985067 433642946 /nfs/dbraw/zinc/64/29/46/433642946.db2.gz PFWUBBLNQXBXEL-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP CCC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293168549 433643439 /nfs/dbraw/zinc/64/34/39/433643439.db2.gz CSXCSTRCFKOKED-UHFFFAOYSA-N 2 1 314.473 3.344 20 0 DGADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000375862910 433594647 /nfs/dbraw/zinc/59/46/47/433594647.db2.gz WIMACFBYQMXIAL-HNNXBMFYSA-N 2 1 318.490 3.065 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000375862910 433594654 /nfs/dbraw/zinc/59/46/54/433594654.db2.gz WIMACFBYQMXIAL-HNNXBMFYSA-N 2 1 318.490 3.065 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000356531882 433606663 /nfs/dbraw/zinc/60/66/63/433606663.db2.gz SEAWSLWZDRUURG-WOJBJXKFSA-N 2 1 316.489 3.305 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(F)F ZINC000427122418 433654101 /nfs/dbraw/zinc/65/41/01/433654101.db2.gz BZDWMSQHXWYJPK-GJZGRUSLSA-N 2 1 310.388 3.089 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(F)F ZINC000427122418 433654110 /nfs/dbraw/zinc/65/41/10/433654110.db2.gz BZDWMSQHXWYJPK-GJZGRUSLSA-N 2 1 310.388 3.089 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000427107835 433654176 /nfs/dbraw/zinc/65/41/76/433654176.db2.gz APUNRFZHFRJDGD-CXAGYDPISA-N 2 1 300.377 3.270 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000427107835 433654183 /nfs/dbraw/zinc/65/41/83/433654183.db2.gz APUNRFZHFRJDGD-CXAGYDPISA-N 2 1 300.377 3.270 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(F)F ZINC000427122420 433657167 /nfs/dbraw/zinc/65/71/67/433657167.db2.gz BZDWMSQHXWYJPK-LSDHHAIUSA-N 2 1 310.388 3.089 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1OC(F)F ZINC000427122420 433657175 /nfs/dbraw/zinc/65/71/75/433657175.db2.gz BZDWMSQHXWYJPK-LSDHHAIUSA-N 2 1 310.388 3.089 20 0 DGADMP C[C@@H]1CCC[C@]1(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339564884 433658521 /nfs/dbraw/zinc/65/85/21/433658521.db2.gz UUYBGSHHVWXGBD-XLIONFOSSA-N 2 1 318.505 3.285 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000362385983 433678449 /nfs/dbraw/zinc/67/84/49/433678449.db2.gz MQVVDDQSJOMPCB-SJORKVTESA-N 2 1 302.462 3.216 20 0 DGADMP Cc1sccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000351716556 433683141 /nfs/dbraw/zinc/68/31/41/433683141.db2.gz AIZADQRBAOKARE-UHFFFAOYSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000351731872 433690514 /nfs/dbraw/zinc/69/05/14/433690514.db2.gz YBCMCRGMLFCLNV-HOTGVXAUSA-N 2 1 324.472 3.031 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427099797 433649271 /nfs/dbraw/zinc/64/92/71/433649271.db2.gz IKARXCJVMDTVDC-HKUYNNGSSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427099797 433649281 /nfs/dbraw/zinc/64/92/81/433649281.db2.gz IKARXCJVMDTVDC-HKUYNNGSSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000367041746 293015709 /nfs/dbraw/zinc/01/57/09/293015709.db2.gz ADIKJYODPZNZMX-HOTGVXAUSA-N 2 1 310.507 3.363 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000367041746 293015712 /nfs/dbraw/zinc/01/57/12/293015712.db2.gz ADIKJYODPZNZMX-HOTGVXAUSA-N 2 1 310.507 3.363 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000367084578 293023147 /nfs/dbraw/zinc/02/31/47/293023147.db2.gz BEXUMJVMTAZNRV-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000367084578 293023150 /nfs/dbraw/zinc/02/31/50/293023150.db2.gz BEXUMJVMTAZNRV-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc(CNCc2cnc3n2CCCC3)cc1Cl ZINC000367415846 293069832 /nfs/dbraw/zinc/06/98/32/293069832.db2.gz RATNTKINOPNGPD-UHFFFAOYSA-N 2 1 305.809 3.171 20 0 DGADMP Cc1cccc(-c2n[nH]cc2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000368366558 293120139 /nfs/dbraw/zinc/12/01/39/293120139.db2.gz FQLVTVMNJOWIOM-QZTJIDSGSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000368366558 293120142 /nfs/dbraw/zinc/12/01/42/293120142.db2.gz FQLVTVMNJOWIOM-QZTJIDSGSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000368366558 293120144 /nfs/dbraw/zinc/12/01/44/293120144.db2.gz FQLVTVMNJOWIOM-QZTJIDSGSA-N 2 1 310.445 3.102 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000370675955 293185188 /nfs/dbraw/zinc/18/51/88/293185188.db2.gz GYSMGKLIYANDPY-YQQAZPJKSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCCO2 ZINC000370675955 293185190 /nfs/dbraw/zinc/18/51/90/293185190.db2.gz GYSMGKLIYANDPY-YQQAZPJKSA-N 2 1 304.409 3.256 20 0 DGADMP COc1cc(C)ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000449050265 433706767 /nfs/dbraw/zinc/70/67/67/433706767.db2.gz UCAZJLPQEWGDHA-QFBILLFUSA-N 2 1 314.473 3.452 20 0 DGADMP CC(C)n1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000371621488 293216788 /nfs/dbraw/zinc/21/67/88/293216788.db2.gz NREJBMLJUXTQAY-UHFFFAOYSA-N 2 1 304.482 3.208 20 0 DGADMP COc1cc(F)cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000449046742 433707862 /nfs/dbraw/zinc/70/78/62/433707862.db2.gz LZAQDLZPXAJGNU-DYVFJYSZSA-N 2 1 303.381 3.114 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529114 293286968 /nfs/dbraw/zinc/28/69/68/293286968.db2.gz LMXDWXFBFLPYMR-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529114 293286969 /nfs/dbraw/zinc/28/69/69/293286969.db2.gz LMXDWXFBFLPYMR-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP COc1c(C)cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000374076146 293349903 /nfs/dbraw/zinc/34/99/03/293349903.db2.gz ZQPHCSFOSSSNOG-UHFFFAOYSA-N 2 1 317.477 3.015 20 0 DGADMP CO[C@@H](C)c1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000374171099 293361034 /nfs/dbraw/zinc/36/10/34/293361034.db2.gz BWMIHBCBUPGEQV-AWEZNQCLSA-N 2 1 323.506 3.158 20 0 DGADMP CO[C@@H](C)c1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000374171099 293361036 /nfs/dbraw/zinc/36/10/36/293361036.db2.gz BWMIHBCBUPGEQV-AWEZNQCLSA-N 2 1 323.506 3.158 20 0 DGADMP Cc1cnn(CCCCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374169416 293361146 /nfs/dbraw/zinc/36/11/46/293361146.db2.gz CLAPRKRBHHRNGS-UHFFFAOYSA-N 2 1 318.509 3.170 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374335612 293385753 /nfs/dbraw/zinc/38/57/53/293385753.db2.gz YDQVWGLHULXUPS-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374335612 293385756 /nfs/dbraw/zinc/38/57/56/293385756.db2.gz YDQVWGLHULXUPS-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356842407 433727664 /nfs/dbraw/zinc/72/76/64/433727664.db2.gz GMCLZXBFLWEZDV-APWZRJJASA-N 2 1 304.478 3.432 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427583562 433732739 /nfs/dbraw/zinc/73/27/39/433732739.db2.gz PGSINIIKYRQGTG-LJQANCHMSA-N 2 1 304.478 3.394 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000356861507 433734782 /nfs/dbraw/zinc/73/47/82/433734782.db2.gz ZLXGLEHKGFNMOT-MJGOQNOKSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356858265 433737065 /nfs/dbraw/zinc/73/70/65/433737065.db2.gz XHZBYJWRJQJZDW-UMGGQSCQSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000356865947 433741270 /nfs/dbraw/zinc/74/12/70/433741270.db2.gz MYALATOHEVHJEG-SWLSCSKDSA-N 2 1 316.367 3.058 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)C1 ZINC000421819303 433743572 /nfs/dbraw/zinc/74/35/72/433743572.db2.gz GMJHORDXJPGGCJ-ACJLOTCBSA-N 2 1 306.425 3.217 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421825622 433747829 /nfs/dbraw/zinc/74/78/29/433747829.db2.gz ONMUHGBRNCNSCQ-SJLPKXTDSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421825622 433747840 /nfs/dbraw/zinc/74/78/40/433747840.db2.gz ONMUHGBRNCNSCQ-SJLPKXTDSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000356896207 433757326 /nfs/dbraw/zinc/75/73/26/433757326.db2.gz QYIOIEVSZQYZCP-FUHWJXTLSA-N 2 1 301.478 3.107 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414774755 433824176 /nfs/dbraw/zinc/82/41/76/433824176.db2.gz FWNYMXTYCCSKBW-HOTGVXAUSA-N 2 1 324.415 3.152 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000421851588 433773889 /nfs/dbraw/zinc/77/38/89/433773889.db2.gz GBRQIDFRZLEALK-NCXUSEDFSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000421851588 433773899 /nfs/dbraw/zinc/77/38/99/433773899.db2.gz GBRQIDFRZLEALK-NCXUSEDFSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414660577 433775931 /nfs/dbraw/zinc/77/59/31/433775931.db2.gz OQYRNXGMQWWNFI-JMSVASOKSA-N 2 1 300.368 3.478 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000421851586 433776519 /nfs/dbraw/zinc/77/65/19/433776519.db2.gz GBRQIDFRZLEALK-MANSERQUSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000421851586 433776531 /nfs/dbraw/zinc/77/65/31/433776531.db2.gz GBRQIDFRZLEALK-MANSERQUSA-N 2 1 302.462 3.369 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659752 433776682 /nfs/dbraw/zinc/77/66/82/433776682.db2.gz LSZSVEXKLOCHCX-DOMZBBRYSA-N 2 1 300.368 3.493 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659752 433776692 /nfs/dbraw/zinc/77/66/92/433776692.db2.gz LSZSVEXKLOCHCX-DOMZBBRYSA-N 2 1 300.368 3.493 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000414669001 433778198 /nfs/dbraw/zinc/77/81/98/433778198.db2.gz JWRXRUCHKLKONH-KMANFZQXSA-N 2 1 320.452 3.072 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414667777 433779447 /nfs/dbraw/zinc/77/94/47/433779447.db2.gz YUOZRJRCDWDRJW-BZPMIXESSA-N 2 1 300.368 3.478 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414682084 433788414 /nfs/dbraw/zinc/78/84/14/433788414.db2.gz XQERYVPZLPMQNX-TZMCWYRMSA-N 2 1 316.367 3.405 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CC[NH2+]1 ZINC000414696602 433795604 /nfs/dbraw/zinc/79/56/04/433795604.db2.gz BAPUAVPJDMYOHE-IXDOHACOSA-N 2 1 304.503 3.489 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414772404 433824783 /nfs/dbraw/zinc/82/47/83/433824783.db2.gz BUQDDVFHIPIQFB-KBPBESRZSA-N 2 1 308.853 3.170 20 0 DGADMP C[C@H]1C[C@H](C[N@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]1 ZINC000414705878 433799792 /nfs/dbraw/zinc/79/97/92/433799792.db2.gz XPWFFMJNUVJZCC-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP CCOC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000414710372 433803138 /nfs/dbraw/zinc/80/31/38/433803138.db2.gz QABQRJIORVWSBI-IXDOHACOSA-N 2 1 318.461 3.001 20 0 DGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293635003 433810850 /nfs/dbraw/zinc/81/08/50/433810850.db2.gz HTCSOGJPEBHESA-QGZVFWFLSA-N 2 1 315.417 3.109 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1)CC1CC1 ZINC000414736392 433811171 /nfs/dbraw/zinc/81/11/71/433811171.db2.gz GPKMNMIVJFMHAN-XLIONFOSSA-N 3 1 321.553 3.209 20 0 DGADMP Cc1cc(Cl)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432345764 433825298 /nfs/dbraw/zinc/82/52/98/433825298.db2.gz JEYQNOIPXCWPLW-HNNXBMFYSA-N 2 1 310.869 3.239 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)CC[NH2+]1 ZINC000414756621 433815386 /nfs/dbraw/zinc/81/53/86/433815386.db2.gz RGDBVNWEKLPNCT-ATNYBXOESA-N 2 1 322.880 3.490 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414747515 433816552 /nfs/dbraw/zinc/81/65/52/433816552.db2.gz UPKCFNISSPATPM-BFYDXBDKSA-N 2 1 318.436 3.109 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC000414759715 433819429 /nfs/dbraw/zinc/81/94/29/433819429.db2.gz WURKGOHTPFFXAC-JSGCOSHPSA-N 2 1 316.367 3.405 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)CCO2)cc1 ZINC000414760990 433820249 /nfs/dbraw/zinc/82/02/49/433820249.db2.gz ZQMFXVJKXPGYDJ-AYBZRNKSSA-N 2 1 302.462 3.010 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435749770 433875145 /nfs/dbraw/zinc/87/51/45/433875145.db2.gz VOEOMMLTHCZAKQ-GOSISDBHSA-N 2 1 316.493 3.034 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435749770 433875152 /nfs/dbraw/zinc/87/51/52/433875152.db2.gz VOEOMMLTHCZAKQ-GOSISDBHSA-N 2 1 316.493 3.034 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414774754 433826403 /nfs/dbraw/zinc/82/64/03/433826403.db2.gz FWNYMXTYCCSKBW-CVEARBPZSA-N 2 1 324.415 3.152 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414779934 433830279 /nfs/dbraw/zinc/83/02/79/433830279.db2.gz KXVWCOQLQXUVMS-HUUCEWRRSA-N 2 1 310.388 3.110 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414781547 433830773 /nfs/dbraw/zinc/83/07/73/433830773.db2.gz NEOLSYSGFSLKSP-CHWSQXEVSA-N 2 1 319.449 3.257 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414775701 433831314 /nfs/dbraw/zinc/83/13/14/433831314.db2.gz GMPZMMYMENYGSH-MSOLQXFVSA-N 2 1 324.472 3.207 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414846719 433877641 /nfs/dbraw/zinc/87/76/41/433877641.db2.gz UZLHOMLJIBWMQP-GGPKGHCWSA-N 3 1 315.505 3.019 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2cccnc12 ZINC000414787669 433833444 /nfs/dbraw/zinc/83/34/44/433833444.db2.gz VSZLOIZKBINLGD-MOPGFXCFSA-N 2 1 309.457 3.365 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414784893 433834658 /nfs/dbraw/zinc/83/46/58/433834658.db2.gz RSEDSVZYIBBXIR-QZTJIDSGSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414783537 433834677 /nfs/dbraw/zinc/83/46/77/433834677.db2.gz PZNQPFMXWILBDW-LJQANCHMSA-N 2 1 316.489 3.072 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2cccnc12 ZINC000414787672 433835075 /nfs/dbraw/zinc/83/50/75/433835075.db2.gz VSZLOIZKBINLGD-RTBURBONSA-N 2 1 309.457 3.365 20 0 DGADMP Clc1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000414786265 433835759 /nfs/dbraw/zinc/83/57/59/433835759.db2.gz UKEBSOPMAYUQDU-GJZGRUSLSA-N 2 1 320.864 3.096 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414846719 433877650 /nfs/dbraw/zinc/87/76/50/433877650.db2.gz UZLHOMLJIBWMQP-GGPKGHCWSA-N 3 1 315.505 3.019 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000293728742 433847784 /nfs/dbraw/zinc/84/77/84/433847784.db2.gz OFFHOQQXRRTWQO-YSTOQKLRSA-N 2 1 314.473 3.197 20 0 DGADMP CN(CCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)CC[NH+](C)C ZINC000344078921 433848732 /nfs/dbraw/zinc/84/87/32/433848732.db2.gz XWTZGXVSEDLOAZ-LJQANCHMSA-N 2 1 321.484 3.018 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414807665 433849565 /nfs/dbraw/zinc/84/95/65/433849565.db2.gz JATJQBHAOITJSL-UHFFFAOYSA-N 2 1 322.346 3.374 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2cc(C)on2)CC1)CC1CC1 ZINC000357082752 433858040 /nfs/dbraw/zinc/85/80/40/433858040.db2.gz JKHRZBKBPZKJAL-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)on2)CC1)CC1CC1 ZINC000357082752 433858048 /nfs/dbraw/zinc/85/80/48/433858048.db2.gz JKHRZBKBPZKJAL-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000344297026 433858314 /nfs/dbraw/zinc/85/83/14/433858314.db2.gz MLCRLXCLQRZUIR-TVFCKZIOSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000344297026 433858323 /nfs/dbraw/zinc/85/83/23/433858323.db2.gz MLCRLXCLQRZUIR-TVFCKZIOSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000414831517 433868487 /nfs/dbraw/zinc/86/84/87/433868487.db2.gz CIKPGTPZNBGZEO-LSTHTHJFSA-N 2 1 315.505 3.319 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000293798432 433870916 /nfs/dbraw/zinc/87/09/16/433870916.db2.gz UWCLXAMWXZUZJU-FUHWJXTLSA-N 2 1 304.478 3.159 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CCC1 ZINC000414872428 433895894 /nfs/dbraw/zinc/89/58/94/433895894.db2.gz FZUHRCQDVGWCLS-UHFFFAOYSA-N 2 1 303.631 3.074 20 0 DGADMP Cc1cnn(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000377540265 433906102 /nfs/dbraw/zinc/90/61/02/433906102.db2.gz INBYCECRBKYXSE-QGZVFWFLSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)s2)o1 ZINC000414903843 433908292 /nfs/dbraw/zinc/90/82/92/433908292.db2.gz MLKCGANFMWVARQ-MRXNPFEDSA-N 2 1 305.447 3.191 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090646 433908976 /nfs/dbraw/zinc/90/89/76/433908976.db2.gz AZCVGFRDJIHOCY-HKUYNNGSSA-N 2 1 316.489 3.135 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090646 433908979 /nfs/dbraw/zinc/90/89/79/433908979.db2.gz AZCVGFRDJIHOCY-HKUYNNGSSA-N 2 1 316.489 3.135 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905034 433909058 /nfs/dbraw/zinc/90/90/58/433909058.db2.gz LAOWRPWJBZIAJG-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414905034 433909065 /nfs/dbraw/zinc/90/90/65/433909065.db2.gz LAOWRPWJBZIAJG-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414905034 433909068 /nfs/dbraw/zinc/90/90/68/433909068.db2.gz LAOWRPWJBZIAJG-RLLQIKCJSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905034 433909074 /nfs/dbraw/zinc/90/90/74/433909074.db2.gz LAOWRPWJBZIAJG-RLLQIKCJSA-N 3 1 315.505 3.019 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422558490 433921004 /nfs/dbraw/zinc/92/10/04/433921004.db2.gz AVWJVKAADFVXTL-XEZPLFJOSA-N 2 1 306.498 3.060 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414950237 433928721 /nfs/dbraw/zinc/92/87/21/433928721.db2.gz OEOLCVDHZKFNJO-BLLLJJGKSA-N 2 1 318.852 3.064 20 0 DGADMP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436289946 433930204 /nfs/dbraw/zinc/93/02/04/433930204.db2.gz XWNPZSNFNXYAQN-ZSYWTGECSA-N 2 1 318.505 3.331 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000436294268 433930888 /nfs/dbraw/zinc/93/08/88/433930888.db2.gz FYUDQLVQLOQQCG-IRXDYDNUSA-N 2 1 305.466 3.080 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414854119 433881585 /nfs/dbraw/zinc/88/15/85/433881585.db2.gz ULEZZKZGCLYOGW-GOSISDBHSA-N 2 1 313.445 3.124 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414856177 433886852 /nfs/dbraw/zinc/88/68/52/433886852.db2.gz YLEDNLSKBBZOMA-ZDUSSCGKSA-N 2 1 304.356 3.091 20 0 DGADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866576 433892439 /nfs/dbraw/zinc/89/24/39/433892439.db2.gz NFDABRSJAPOJTM-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414861599 433893217 /nfs/dbraw/zinc/89/32/17/433893217.db2.gz SEOGPZNVFNZTKS-CABCVRRESA-N 2 1 315.383 3.272 20 0 DGADMP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc2c1 ZINC000422717753 433946618 /nfs/dbraw/zinc/94/66/18/433946618.db2.gz PBPVLISHJGOTDL-RCCFBDPRSA-N 2 1 312.461 3.043 20 0 DGADMP CC[C@@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000422721994 433952137 /nfs/dbraw/zinc/95/21/37/433952137.db2.gz WOIGWPLSIUKCSQ-NEPJUHHUSA-N 2 1 317.296 3.173 20 0 DGADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422735300 433962309 /nfs/dbraw/zinc/96/23/09/433962309.db2.gz VWERQXHEVTWMQF-VQTJNVASSA-N 2 1 315.505 3.421 20 0 DGADMP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422735300 433962317 /nfs/dbraw/zinc/96/23/17/433962317.db2.gz VWERQXHEVTWMQF-VQTJNVASSA-N 3 1 315.505 3.421 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422735300 433962327 /nfs/dbraw/zinc/96/23/27/433962327.db2.gz VWERQXHEVTWMQF-VQTJNVASSA-N 3 1 315.505 3.421 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000422737723 433962491 /nfs/dbraw/zinc/96/24/91/433962491.db2.gz XUWOQUMNODRKQG-ATZDWAIDSA-N 2 1 321.484 3.329 20 0 DGADMP CC1CC[NH+](CCN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340183187 433963929 /nfs/dbraw/zinc/96/39/29/433963929.db2.gz KVZFRNUIEJKPGL-VQTJNVASSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422743149 433968715 /nfs/dbraw/zinc/96/87/15/433968715.db2.gz IARRRLQOICKANU-SJORKVTESA-N 3 1 303.494 3.319 20 0 DGADMP C[C@H]1SCC[N@@H+](C/C=C/C[NH+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000340193681 433972474 /nfs/dbraw/zinc/97/24/74/433972474.db2.gz CQVFPTSTLVOZKP-QEKYSWFISA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C/C[N@@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000340193681 433972485 /nfs/dbraw/zinc/97/24/85/433972485.db2.gz CQVFPTSTLVOZKP-QEKYSWFISA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C/C[N@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000340193681 433972495 /nfs/dbraw/zinc/97/24/95/433972495.db2.gz CQVFPTSTLVOZKP-QEKYSWFISA-N 2 1 314.564 3.194 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000415122586 433973525 /nfs/dbraw/zinc/97/35/25/433973525.db2.gz OIIDXDGSFUSOPK-IIDMSEBBSA-N 2 1 312.461 3.098 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340191423 433974644 /nfs/dbraw/zinc/97/46/44/433974644.db2.gz PONMRPAHXBONSD-MOPGFXCFSA-N 2 1 312.461 3.007 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422761388 433984322 /nfs/dbraw/zinc/98/43/22/433984322.db2.gz HOPAWCBKMWZFKF-RTBURBONSA-N 2 1 312.461 3.239 20 0 DGADMP C[C@H]([NH2+]CCSCc1ccccc1F)c1c[nH+]ccc1N ZINC000422774697 433988165 /nfs/dbraw/zinc/98/81/65/433988165.db2.gz YDNQQZZJMDOXFB-LBPRGKRZSA-N 2 1 305.422 3.217 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422768261 433989194 /nfs/dbraw/zinc/98/91/94/433989194.db2.gz RXLTZUWXAVKMSD-HRCADAONSA-N 2 1 308.853 3.359 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422768259 433990473 /nfs/dbraw/zinc/99/04/73/433990473.db2.gz RXLTZUWXAVKMSD-BZUAXINKSA-N 2 1 308.853 3.359 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340215169 433991298 /nfs/dbraw/zinc/99/12/98/433991298.db2.gz FKZOBLLFFAQCJN-GJZGRUSLSA-N 2 1 310.507 3.363 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340215169 433991307 /nfs/dbraw/zinc/99/13/07/433991307.db2.gz FKZOBLLFFAQCJN-GJZGRUSLSA-N 2 1 310.507 3.363 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377642889 433937557 /nfs/dbraw/zinc/93/75/57/433937557.db2.gz CMWXANYRVVYOLB-QUCCMNQESA-N 2 1 321.553 3.305 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000293952429 433941410 /nfs/dbraw/zinc/94/14/10/433941410.db2.gz BVCZJPSKRIHSQM-UHFFFAOYSA-N 2 1 304.821 3.397 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000422790099 434004215 /nfs/dbraw/zinc/00/42/15/434004215.db2.gz USLPJGSLYOBKAG-SQWLQELKSA-N 2 1 307.869 3.039 20 0 DGADMP O[C@H](CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000285593099 434005151 /nfs/dbraw/zinc/00/51/51/434005151.db2.gz KWZDIMORLHTVDI-YZGWKJHDSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@H](CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000285593099 434005158 /nfs/dbraw/zinc/00/51/58/434005158.db2.gz KWZDIMORLHTVDI-YZGWKJHDSA-N 2 1 314.473 3.059 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422791699 434007048 /nfs/dbraw/zinc/00/70/48/434007048.db2.gz CWERROXZHIWCFD-IYWMVGAKSA-N 2 1 319.537 3.151 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCc3ccccc32)s1 ZINC000352257356 434011977 /nfs/dbraw/zinc/01/19/77/434011977.db2.gz SLFKMTZUZAPKQQ-OAHLLOKOSA-N 2 1 315.486 3.414 20 0 DGADMP C[C@H](CCNC(=[NH2+])N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000304518676 434013736 /nfs/dbraw/zinc/01/37/36/434013736.db2.gz XJODAZSCAIXYQG-QGZVFWFLSA-N 2 1 316.493 3.153 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340254487 434014121 /nfs/dbraw/zinc/01/41/21/434014121.db2.gz ONEPLSCBNGDMKQ-AITUJVMLSA-N 2 1 304.478 3.209 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340254487 434014129 /nfs/dbraw/zinc/01/41/29/434014129.db2.gz ONEPLSCBNGDMKQ-AITUJVMLSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841193 434016255 /nfs/dbraw/zinc/01/62/55/434016255.db2.gz ZMKUVFKBVNTAQM-ZFWWWQNUSA-N 2 1 307.507 3.357 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841193 434016269 /nfs/dbraw/zinc/01/62/69/434016269.db2.gz ZMKUVFKBVNTAQM-ZFWWWQNUSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841193 434016277 /nfs/dbraw/zinc/01/62/77/434016277.db2.gz ZMKUVFKBVNTAQM-ZFWWWQNUSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841193 434016287 /nfs/dbraw/zinc/01/62/87/434016287.db2.gz ZMKUVFKBVNTAQM-ZFWWWQNUSA-N 2 1 307.507 3.357 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000340255754 434017829 /nfs/dbraw/zinc/01/78/29/434017829.db2.gz LBLTUFUJUDYFPE-XWTMOSNGSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000340255754 434017839 /nfs/dbraw/zinc/01/78/39/434017839.db2.gz LBLTUFUJUDYFPE-XWTMOSNGSA-N 2 1 302.462 3.225 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422810305 434019343 /nfs/dbraw/zinc/01/93/43/434019343.db2.gz RIWFEAJUHLOJND-SLFFLAALSA-N 2 1 315.505 3.149 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@@H]1c1cccs1 ZINC000340262680 434021786 /nfs/dbraw/zinc/02/17/86/434021786.db2.gz ZTFHCPYEVXUPJK-VNQPRFMTSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@@H]1c1cccs1 ZINC000340262680 434021792 /nfs/dbraw/zinc/02/17/92/434021792.db2.gz ZTFHCPYEVXUPJK-VNQPRFMTSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000340264926 434025895 /nfs/dbraw/zinc/02/58/95/434025895.db2.gz RKZZTQDPLFXHAB-YRPNKDGESA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000340264926 434025899 /nfs/dbraw/zinc/02/58/99/434025899.db2.gz RKZZTQDPLFXHAB-YRPNKDGESA-N 2 1 316.489 3.353 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@H]1c1ccccc1 ZINC000340268141 434027282 /nfs/dbraw/zinc/02/72/82/434027282.db2.gz VLHRCSIQKSOPEV-MDMHHNQBSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@H]1c1ccccc1 ZINC000340268141 434027289 /nfs/dbraw/zinc/02/72/89/434027289.db2.gz VLHRCSIQKSOPEV-MDMHHNQBSA-N 2 1 314.473 3.369 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)c2ccccc21 ZINC000422825405 434029261 /nfs/dbraw/zinc/02/92/61/434029261.db2.gz AEOYGAXMZXUIMY-PMACEKPBSA-N 2 1 318.424 3.166 20 0 DGADMP CC[C@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831077 434033427 /nfs/dbraw/zinc/03/34/27/434033427.db2.gz WFJKYRLWTYDWKF-NEWSRXKRSA-N 2 1 303.494 3.017 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000352301157 434034740 /nfs/dbraw/zinc/03/47/40/434034740.db2.gz HRDOEOSXAMCCOF-TVFCKZIOSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000352301157 434034749 /nfs/dbraw/zinc/03/47/49/434034749.db2.gz HRDOEOSXAMCCOF-TVFCKZIOSA-N 2 1 306.494 3.044 20 0 DGADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830418 434036029 /nfs/dbraw/zinc/03/60/29/434036029.db2.gz RADXLJTWYBEFPL-ROUUACIJSA-N 2 1 321.534 3.210 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422829800 434036764 /nfs/dbraw/zinc/03/67/64/434036764.db2.gz CAYMAGTVQZBUNS-PVAVHDDUSA-N 2 1 307.869 3.039 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000422839538 434041428 /nfs/dbraw/zinc/04/14/28/434041428.db2.gz QLYQUQHTMSIAEW-CGZBRXJRSA-N 3 1 321.534 3.067 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000422839538 434041439 /nfs/dbraw/zinc/04/14/39/434041439.db2.gz QLYQUQHTMSIAEW-CGZBRXJRSA-N 3 1 321.534 3.067 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836622 434041533 /nfs/dbraw/zinc/04/15/33/434041533.db2.gz KOFXDMZOWLYCDJ-JYBIWHBTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1Cc1ccccc1 ZINC000422836622 434041541 /nfs/dbraw/zinc/04/15/41/434041541.db2.gz KOFXDMZOWLYCDJ-JYBIWHBTSA-N 2 1 315.505 3.017 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](O)C(C)C)cc1 ZINC000305101636 434043200 /nfs/dbraw/zinc/04/32/00/434043200.db2.gz AEMWZCYDNRNFRP-KSSFIOAISA-N 2 1 301.434 3.238 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422835111 434043467 /nfs/dbraw/zinc/04/34/67/434043467.db2.gz IHSZVOZUQKTTCX-XYJFISCASA-N 3 1 321.534 3.067 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422835111 434043475 /nfs/dbraw/zinc/04/34/75/434043475.db2.gz IHSZVOZUQKTTCX-XYJFISCASA-N 3 1 321.534 3.067 20 0 DGADMP CSCc1cnc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000294101179 433997048 /nfs/dbraw/zinc/99/70/48/433997048.db2.gz MHVLNKIPTJQSKH-UHFFFAOYSA-N 2 1 321.515 3.358 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]CC3(C)COC3)cc2)C1 ZINC000285575152 433998203 /nfs/dbraw/zinc/99/82/03/433998203.db2.gz WOGOHIPAARMKDL-CALCHBBNSA-N 2 1 316.489 3.291 20 0 DGADMP C[N@H+](CCSc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285566285 433998942 /nfs/dbraw/zinc/99/89/42/433998942.db2.gz RYAFNKJPPMIDEL-YIONKMFJSA-N 2 1 308.466 3.475 20 0 DGADMP C[N@@H+](CCSc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285566285 433998955 /nfs/dbraw/zinc/99/89/55/433998955.db2.gz RYAFNKJPPMIDEL-YIONKMFJSA-N 2 1 308.466 3.475 20 0 DGADMP C[NH+](CCSc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285566285 433998966 /nfs/dbraw/zinc/99/89/66/433998966.db2.gz RYAFNKJPPMIDEL-YIONKMFJSA-N 2 1 308.466 3.475 20 0 DGADMP C[NH+](CCSc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285566285 433998978 /nfs/dbraw/zinc/99/89/78/433998978.db2.gz RYAFNKJPPMIDEL-YIONKMFJSA-N 2 1 308.466 3.475 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377796678 434001774 /nfs/dbraw/zinc/00/17/74/434001774.db2.gz SHZURMHSSYXQBE-CGHHPOIWSA-N 2 1 302.462 3.225 20 0 DGADMP CC[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]1 ZINC000422862996 434062175 /nfs/dbraw/zinc/06/21/75/434062175.db2.gz QWULUARQOAKQCV-HOCLYGCPSA-N 2 1 323.868 3.097 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414960707 293895444 /nfs/dbraw/zinc/89/54/44/293895444.db2.gz YHXMFEIKIVTORK-WBVHZDCISA-N 2 1 320.477 3.494 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874471 434069968 /nfs/dbraw/zinc/06/99/68/434069968.db2.gz DASOZPGIIAUGDR-ABSDTBQOSA-N 2 1 315.505 3.291 20 0 DGADMP N[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878983 434076592 /nfs/dbraw/zinc/07/65/92/434076592.db2.gz LPVPCTHDUVGGME-ROUUACIJSA-N 2 1 321.896 3.021 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423205237 293915285 /nfs/dbraw/zinc/91/52/85/293915285.db2.gz DZJULPLUAXMESP-VXGBXAGGSA-N 2 1 312.841 3.007 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000340350573 434079727 /nfs/dbraw/zinc/07/97/27/434079727.db2.gz OOZNJUBEELMYCQ-OTWHNJEPSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000340350573 434079737 /nfs/dbraw/zinc/07/97/37/434079737.db2.gz OOZNJUBEELMYCQ-OTWHNJEPSA-N 2 1 302.462 3.371 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OCCC(C)C ZINC000422883602 434081292 /nfs/dbraw/zinc/08/12/92/434081292.db2.gz QUTNTZDQWUCVQL-JKSUJKDBSA-N 2 1 306.450 3.090 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883235 434081533 /nfs/dbraw/zinc/08/15/33/434081533.db2.gz QEGDPABGHHYUIB-QYZOEREBSA-N 3 1 309.542 3.399 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890337 434086216 /nfs/dbraw/zinc/08/62/16/434086216.db2.gz IEBNYYOETWEPEK-MHORFTMASA-N 3 1 317.521 3.380 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000285848856 434086905 /nfs/dbraw/zinc/08/69/05/434086905.db2.gz XUUNUQAIXJNULQ-PBPGXSGUSA-N 2 1 316.489 3.454 20 0 DGADMP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346057676 434088482 /nfs/dbraw/zinc/08/84/82/434088482.db2.gz VMLBSKMAQGOVGW-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340361140 434089639 /nfs/dbraw/zinc/08/96/39/434089639.db2.gz NQGMJGPULWTMLX-PCCBWWKXSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340361140 434089648 /nfs/dbraw/zinc/08/96/48/434089648.db2.gz NQGMJGPULWTMLX-PCCBWWKXSA-N 2 1 324.468 3.015 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000422893399 434092815 /nfs/dbraw/zinc/09/28/15/434092815.db2.gz QJNFVFXRPQUELH-LLVKDONJSA-N 2 1 304.463 3.279 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000340367967 434094494 /nfs/dbraw/zinc/09/44/94/434094494.db2.gz XQMCGHHFOLLVAY-SQNIBIBYSA-N 2 1 304.478 3.207 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000340367967 434094497 /nfs/dbraw/zinc/09/44/97/434094497.db2.gz XQMCGHHFOLLVAY-SQNIBIBYSA-N 2 1 304.478 3.207 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422899381 434097433 /nfs/dbraw/zinc/09/74/33/434097433.db2.gz HIJIRNVVUZQIDI-PWSUYJOCSA-N 2 1 309.866 3.427 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)C[C@H]1c1ccccc1 ZINC000340301338 434052381 /nfs/dbraw/zinc/05/23/81/434052381.db2.gz MTONLIMZOJEYBM-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)C[C@H]1c1ccccc1 ZINC000340301338 434052388 /nfs/dbraw/zinc/05/23/88/434052388.db2.gz MTONLIMZOJEYBM-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP CCCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377997803 434057251 /nfs/dbraw/zinc/05/72/51/434057251.db2.gz HILQJGQIZXZOAD-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP CCCCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377997803 434057260 /nfs/dbraw/zinc/05/72/60/434057260.db2.gz HILQJGQIZXZOAD-UHFFFAOYSA-N 3 1 309.542 3.305 20 0 DGADMP CCCCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377997803 434057270 /nfs/dbraw/zinc/05/72/70/434057270.db2.gz HILQJGQIZXZOAD-UHFFFAOYSA-N 3 1 309.542 3.305 20 0 DGADMP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309973101 434100066 /nfs/dbraw/zinc/10/00/66/434100066.db2.gz OVBWNASZMWOFQA-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964807 434104087 /nfs/dbraw/zinc/10/40/87/434104087.db2.gz KGYJXEGWUOZYDU-AQNXPRMDSA-N 2 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309964807 434104092 /nfs/dbraw/zinc/10/40/92/434104092.db2.gz KGYJXEGWUOZYDU-AQNXPRMDSA-N 3 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964807 434104103 /nfs/dbraw/zinc/10/41/03/434104103.db2.gz KGYJXEGWUOZYDU-AQNXPRMDSA-N 3 1 315.505 3.148 20 0 DGADMP FC(F)(F)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979841 434105802 /nfs/dbraw/zinc/10/58/02/434105802.db2.gz UGWCSQBQGPFQLS-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979841 434105811 /nfs/dbraw/zinc/10/58/11/434105811.db2.gz UGWCSQBQGPFQLS-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979841 434105820 /nfs/dbraw/zinc/10/58/20/434105820.db2.gz UGWCSQBQGPFQLS-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979841 434105829 /nfs/dbraw/zinc/10/58/29/434105829.db2.gz UGWCSQBQGPFQLS-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000422919096 434106414 /nfs/dbraw/zinc/10/64/14/434106414.db2.gz JDXGCXSHZRAYGX-GDIGMMSISA-N 2 1 316.420 3.061 20 0 DGADMP Cc1sc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)nc1-c1ccccc1 ZINC000422929673 434118467 /nfs/dbraw/zinc/11/84/67/434118467.db2.gz RAEIAOJVLADAPX-XJKSGUPXSA-N 2 1 315.486 3.249 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000500130699 294105685 /nfs/dbraw/zinc/10/56/85/294105685.db2.gz AFNDYMJBGIEQPT-YRWFTTLQSA-N 2 1 316.489 3.433 20 0 DGADMP Clc1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312870 294107003 /nfs/dbraw/zinc/10/70/03/294107003.db2.gz XLUDOIVXWYMZDT-XJKSGUPXSA-N 2 1 310.894 3.430 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)cc1F ZINC000503868845 294203329 /nfs/dbraw/zinc/20/33/29/294203329.db2.gz CANQRVHTBFPAGH-PBZZTAOPSA-N 2 1 320.452 3.399 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@H](C)C1 ZINC000503891883 294203617 /nfs/dbraw/zinc/20/36/17/294203617.db2.gz KIOWWCFIOARPIA-GFOCRRMGSA-N 2 1 320.452 3.400 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000505343213 294236025 /nfs/dbraw/zinc/23/60/25/294236025.db2.gz JVHIXWSRUINDGG-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP COc1ccccc1CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000505615437 294245913 /nfs/dbraw/zinc/24/59/13/294245913.db2.gz XUZDXYWRDHQCLU-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccccc1CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000505615437 294245915 /nfs/dbraw/zinc/24/59/15/294245915.db2.gz XUZDXYWRDHQCLU-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccccc1CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000505615437 294245918 /nfs/dbraw/zinc/24/59/18/294245918.db2.gz XUZDXYWRDHQCLU-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](C)C(C)C)CC1 ZINC000507203364 294288128 /nfs/dbraw/zinc/28/81/28/294288128.db2.gz NDDYYUAFPVHWPY-QGZVFWFLSA-N 2 1 303.494 3.305 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000508544160 294325334 /nfs/dbraw/zinc/32/53/34/294325334.db2.gz KRWMBUIPSARGMG-ZFOVBUMHSA-N 2 1 302.462 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000508544160 294325337 /nfs/dbraw/zinc/32/53/37/294325337.db2.gz KRWMBUIPSARGMG-ZFOVBUMHSA-N 2 1 302.462 3.120 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000353436508 434130581 /nfs/dbraw/zinc/13/05/81/434130581.db2.gz CFOLLBSCYKKWAS-BHYGNILZSA-N 2 1 318.461 3.290 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000353436508 434130590 /nfs/dbraw/zinc/13/05/90/434130590.db2.gz CFOLLBSCYKKWAS-BHYGNILZSA-N 2 1 318.461 3.290 20 0 DGADMP COC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340442418 434130626 /nfs/dbraw/zinc/13/06/26/434130626.db2.gz AKJXWXPLEBWDFG-QZTJIDSGSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340442418 434130630 /nfs/dbraw/zinc/13/06/30/434130630.db2.gz AKJXWXPLEBWDFG-QZTJIDSGSA-N 2 1 302.462 3.371 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000509966224 294370059 /nfs/dbraw/zinc/37/00/59/294370059.db2.gz FNJQSXXHVSHEIC-WASAWGCPSA-N 2 1 314.473 3.453 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950970 434134472 /nfs/dbraw/zinc/13/44/72/434134472.db2.gz ZGWKEUKFSZZKGY-CXAGYDPISA-N 2 1 320.383 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353479909 434165677 /nfs/dbraw/zinc/16/56/77/434165677.db2.gz HMRQDZFFXMZMIL-CQSZACIVSA-N 2 1 323.447 3.113 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422961836 434142553 /nfs/dbraw/zinc/14/25/53/434142553.db2.gz BDYXULCFWDAMIE-SFTDATJTSA-N 2 1 323.484 3.385 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422961836 434142564 /nfs/dbraw/zinc/14/25/64/434142564.db2.gz BDYXULCFWDAMIE-SFTDATJTSA-N 2 1 323.484 3.385 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000353453638 434142867 /nfs/dbraw/zinc/14/28/67/434142867.db2.gz FWGONALPRAUZKQ-CYBMUJFWSA-N 2 1 307.388 3.471 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000422969866 434144247 /nfs/dbraw/zinc/14/42/47/434144247.db2.gz DSJRTYAYHXUNGC-XMTFNYHQSA-N 2 1 319.493 3.173 20 0 DGADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422973507 434147881 /nfs/dbraw/zinc/14/78/81/434147881.db2.gz BZBZAAJEJYIZOR-SNRMKQJTSA-N 2 1 308.425 3.462 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000422980630 434148317 /nfs/dbraw/zinc/14/83/17/434148317.db2.gz MCWBPEYBJANNFT-RTWAWAEBSA-N 2 1 306.453 3.484 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000422977748 434149239 /nfs/dbraw/zinc/14/92/39/434149239.db2.gz XOHFMDWGQMQXDU-WBVHZDCISA-N 2 1 305.466 3.269 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)COC4)CC[NH2+]2)cc1 ZINC000422986572 434151606 /nfs/dbraw/zinc/15/16/06/434151606.db2.gz CTKXYEBCIQKVSV-UXHICEINSA-N 2 1 308.425 3.300 20 0 DGADMP CCCCn1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(C)n1 ZINC000423015013 434165787 /nfs/dbraw/zinc/16/57/87/434165787.db2.gz JWGQBIRHFWEVRS-CRAIPNDOSA-N 2 1 306.498 3.392 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000294951414 434155643 /nfs/dbraw/zinc/15/56/43/434155643.db2.gz VQYGJEWZHZGMEP-SFHVURJKSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000294951414 434155651 /nfs/dbraw/zinc/15/56/51/434155651.db2.gz VQYGJEWZHZGMEP-SFHVURJKSA-N 2 1 301.478 3.478 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423000043 434157533 /nfs/dbraw/zinc/15/75/33/434157533.db2.gz ULQAEORLWLAAFT-LZQZEXGQSA-N 2 1 301.478 3.231 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422996476 434157557 /nfs/dbraw/zinc/15/75/57/434157557.db2.gz MFXQMQQLTFENIY-UAFMIMERSA-N 3 1 321.553 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422996476 434157568 /nfs/dbraw/zinc/15/75/68/434157568.db2.gz MFXQMQQLTFENIY-UAFMIMERSA-N 2 1 321.553 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422996476 434157580 /nfs/dbraw/zinc/15/75/80/434157580.db2.gz MFXQMQQLTFENIY-UAFMIMERSA-N 2 1 321.553 3.255 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006917 434160830 /nfs/dbraw/zinc/16/08/30/434160830.db2.gz WUFCCRQYLZTDDT-LSTDLKDCSA-N 3 1 303.494 3.003 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000340500339 434169000 /nfs/dbraw/zinc/16/90/00/434169000.db2.gz GFEKOXCUGGCDEC-GMNCBBECSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000423011113 434169313 /nfs/dbraw/zinc/16/93/13/434169313.db2.gz ZAEOAINWZXOQGZ-GUDVDZBRSA-N 3 1 309.542 3.396 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000315633867 434170149 /nfs/dbraw/zinc/17/01/49/434170149.db2.gz YDBNYGHHXLQMNR-IAGOWNOFSA-N 2 1 304.478 3.480 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nccnc2C)cc1 ZINC000295065130 434173297 /nfs/dbraw/zinc/17/32/97/434173297.db2.gz ROARXYQGVOBZMQ-AWEZNQCLSA-N 2 1 321.428 3.172 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340515819 434174380 /nfs/dbraw/zinc/17/43/80/434174380.db2.gz FMIHINAWTCFHLR-ZWJWXYIHSA-N 2 1 320.521 3.292 20 0 DGADMP O=C(CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000450429378 434174705 /nfs/dbraw/zinc/17/47/05/434174705.db2.gz LLEOKXPUEVRWAS-MRXNPFEDSA-N 2 1 318.436 3.206 20 0 DGADMP O=C(CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000450429378 434174713 /nfs/dbraw/zinc/17/47/13/434174713.db2.gz LLEOKXPUEVRWAS-MRXNPFEDSA-N 2 1 318.436 3.206 20 0 DGADMP OC[C@H](CC1CCCC1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423029759 434179438 /nfs/dbraw/zinc/17/94/38/434179438.db2.gz VIUNZYCKCNRHDF-GBESFXJTSA-N 2 1 302.462 3.011 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C)c1 ZINC000286150703 434179771 /nfs/dbraw/zinc/17/97/71/434179771.db2.gz PJUHKJOTOJQVIM-LJQANCHMSA-N 2 1 303.494 3.063 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)O ZINC000295074139 434182104 /nfs/dbraw/zinc/18/21/04/434182104.db2.gz SHIDAMATZHDPND-GUYCJALGSA-N 2 1 301.434 3.381 20 0 DGADMP C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042207 434183996 /nfs/dbraw/zinc/18/39/96/434183996.db2.gz KNRCSRXHSVMAHQ-IDENBPMYSA-N 2 1 313.489 3.374 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423045166 434185770 /nfs/dbraw/zinc/18/57/70/434185770.db2.gz CKTBJIZOHWNTLD-XNMUZJSGSA-N 2 1 315.505 3.016 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423045166 434185782 /nfs/dbraw/zinc/18/57/82/434185782.db2.gz CKTBJIZOHWNTLD-XNMUZJSGSA-N 2 1 315.505 3.016 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CC3 ZINC000423047693 434187913 /nfs/dbraw/zinc/18/79/13/434187913.db2.gz VJXSLKCMMCXVCW-UONOGXRCSA-N 2 1 320.440 3.492 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459473503 294478459 /nfs/dbraw/zinc/47/84/59/294478459.db2.gz WYHBUKOGJDNWPF-ACJLOTCBSA-N 2 1 306.425 3.118 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357801288 434193372 /nfs/dbraw/zinc/19/33/72/434193372.db2.gz UUVZTCQTAFZXSE-ROUUACIJSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357801288 434193391 /nfs/dbraw/zinc/19/33/91/434193391.db2.gz UUVZTCQTAFZXSE-ROUUACIJSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357801288 434193397 /nfs/dbraw/zinc/19/33/97/434193397.db2.gz UUVZTCQTAFZXSE-ROUUACIJSA-N 2 1 312.461 3.158 20 0 DGADMP CCSc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccn1 ZINC000423060026 434196115 /nfs/dbraw/zinc/19/61/15/434196115.db2.gz HDZGXWSRRGPTMP-WMLDXEAASA-N 2 1 315.486 3.242 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423061908 434199486 /nfs/dbraw/zinc/19/94/86/434199486.db2.gz RWSWRZLLSOBADG-ZFVVBOAOSA-N 2 1 304.409 3.160 20 0 DGADMP CC(=O)c1cccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000450458937 434199490 /nfs/dbraw/zinc/19/94/90/434199490.db2.gz ZHNGQBPRIWFZLE-GOSISDBHSA-N 2 1 300.446 3.053 20 0 DGADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423072298 434204258 /nfs/dbraw/zinc/20/42/58/434204258.db2.gz IZRKIQSQDVFYIZ-ZCNNSNEGSA-N 2 1 314.473 3.201 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000423083860 434206678 /nfs/dbraw/zinc/20/66/78/434206678.db2.gz ZHIYXFXYNLRJHT-FGTMMUONSA-N 3 1 307.526 3.009 20 0 DGADMP c1ccc([C@@H]2C[C@@H](NC[C@H]3CCCC[N@H+]3C3CC3)CC[NH2+]2)cc1 ZINC000423080651 434206983 /nfs/dbraw/zinc/20/69/83/434206983.db2.gz ZRFCCPZIAQJIKH-SXLOBPIMSA-N 2 1 313.489 3.086 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000353543143 434211349 /nfs/dbraw/zinc/21/13/49/434211349.db2.gz FRJQCWZHGKZEDS-PKOBYXMFSA-N 2 1 318.509 3.296 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000321112776 434244997 /nfs/dbraw/zinc/24/49/97/434244997.db2.gz ZIZWBGZCIYVIAC-JKSUJKDBSA-N 2 1 320.477 3.476 20 0 DGADMP CSc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423146230 434248921 /nfs/dbraw/zinc/24/89/21/434248921.db2.gz OSJSWXTUNFTXKE-KURKYZTESA-N 2 1 321.534 3.261 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC(C)(C)C2)CC1 ZINC000353589609 434252316 /nfs/dbraw/zinc/25/23/16/434252316.db2.gz RCIYQONKZSKGRW-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423152819 434253743 /nfs/dbraw/zinc/25/37/43/434253743.db2.gz MNCCVEVKLKVZDX-MOPGFXCFSA-N 3 1 315.505 3.291 20 0 DGADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423152819 434253754 /nfs/dbraw/zinc/25/37/54/434253754.db2.gz MNCCVEVKLKVZDX-MOPGFXCFSA-N 3 1 315.505 3.291 20 0 DGADMP CC1(C)CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423196483 434276338 /nfs/dbraw/zinc/27/63/38/434276338.db2.gz ZTQIXGLEUSGYHB-BBWFWOEESA-N 2 1 308.510 3.340 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000319466505 434225125 /nfs/dbraw/zinc/22/51/25/434225125.db2.gz PUPSVLXVJHPBAC-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000319792384 434227026 /nfs/dbraw/zinc/22/70/26/434227026.db2.gz ZTWZJNLXFNLPKX-CEXWTWQISA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000320263199 434238437 /nfs/dbraw/zinc/23/84/37/434238437.db2.gz RUJCLSRYOWJBJX-RDJZCZTQSA-N 2 1 318.461 3.056 20 0 DGADMP C[N@H+]1CC[C@@H](NCC2([NH3+])CCCCCC2)C[C@@H]1c1ccccc1 ZINC000423205983 434280844 /nfs/dbraw/zinc/28/08/44/434280844.db2.gz WOGQPRZFJHCXHJ-RTBURBONSA-N 2 1 315.505 3.463 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC1([NH3+])CCCCCC1)CC2 ZINC000423203592 434282459 /nfs/dbraw/zinc/28/24/59/434282459.db2.gz SQZWHSWALMWDRW-MRXNPFEDSA-N 2 1 318.461 3.332 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000423209727 434283974 /nfs/dbraw/zinc/28/39/74/434283974.db2.gz JKHRFBAMTNFBSJ-DOMZBBRYSA-N 2 1 311.267 3.489 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000423213500 434288521 /nfs/dbraw/zinc/28/85/21/434288521.db2.gz NHMJUYGKTPWBSV-GHMZBOCLSA-N 2 1 315.230 3.238 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423217264 434289426 /nfs/dbraw/zinc/28/94/26/434289426.db2.gz PTWKGLJRTRBHSL-SDDRHHMPSA-N 2 1 316.367 3.466 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423260977 434318758 /nfs/dbraw/zinc/31/87/58/434318758.db2.gz RBQDRCDZIWROJG-DOTOQJQBSA-N 3 1 312.461 3.221 20 0 DGADMP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312708 434321642 /nfs/dbraw/zinc/32/16/42/434321642.db2.gz BOSNCIXYLFNNCL-MOPGFXCFSA-N 2 1 315.505 3.148 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312708 434321646 /nfs/dbraw/zinc/32/16/46/434321646.db2.gz BOSNCIXYLFNNCL-MOPGFXCFSA-N 2 1 315.505 3.148 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353675243 434325874 /nfs/dbraw/zinc/32/58/74/434325874.db2.gz SZPFHEUVGCKHSB-XUVXKRRUSA-N 2 1 324.472 3.143 20 0 DGADMP CSC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423190466 434278382 /nfs/dbraw/zinc/27/83/82/434278382.db2.gz SJXLSIOMFCGCER-AWEZNQCLSA-N 2 1 318.408 3.451 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000417353249 434362257 /nfs/dbraw/zinc/36/22/57/434362257.db2.gz IIGPVAICKQTLQB-OAHLLOKOSA-N 2 1 302.462 3.325 20 0 DGADMP CCOC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390583483 434362966 /nfs/dbraw/zinc/36/29/66/434362966.db2.gz FASYANZKBKXUPG-CTWPCTMYSA-N 2 1 316.489 3.444 20 0 DGADMP CCOC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390583483 434362977 /nfs/dbraw/zinc/36/29/77/434362977.db2.gz FASYANZKBKXUPG-CTWPCTMYSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390570383 434363736 /nfs/dbraw/zinc/36/37/36/434363736.db2.gz BIOJTGIBMPORHL-AEFFLSMTSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390570383 434363739 /nfs/dbraw/zinc/36/37/39/434363739.db2.gz BIOJTGIBMPORHL-AEFFLSMTSA-N 3 1 303.494 3.004 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390672796 434366736 /nfs/dbraw/zinc/36/67/36/434366736.db2.gz SNHARZNEVMPFBK-QRVBRYPASA-N 2 1 315.505 3.147 20 0 DGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390672796 434366744 /nfs/dbraw/zinc/36/67/44/434366744.db2.gz SNHARZNEVMPFBK-QRVBRYPASA-N 2 1 315.505 3.147 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CCC2CC2)cc1 ZINC000423342017 434369365 /nfs/dbraw/zinc/36/93/65/434369365.db2.gz USPDFJKVGOTGHG-MDASCCDHSA-N 2 1 302.462 3.309 20 0 DGADMP CCOc1ccc([C@@H](CC)[NH2+]C[C@H]([NH3+])C2CC2)cc1OCC ZINC000423333819 434370704 /nfs/dbraw/zinc/37/07/04/434370704.db2.gz WAVXBMNJGJTSQW-JKSUJKDBSA-N 2 1 306.450 3.262 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348522233 434371776 /nfs/dbraw/zinc/37/17/76/434371776.db2.gz WFOPPHDRLSIGFM-OALUTQOASA-N 2 1 313.445 3.309 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)s1 ZINC000423366682 434384006 /nfs/dbraw/zinc/38/40/06/434384006.db2.gz CTEYJCYGSDFCRD-KXUCPTDWSA-N 2 1 303.269 3.302 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)C[NH3+])CCC3)cc1 ZINC000423368061 434386428 /nfs/dbraw/zinc/38/64/28/434386428.db2.gz MYDYAAFIVPVDHI-JSGCOSHPSA-N 2 1 301.459 3.433 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000353745240 434390490 /nfs/dbraw/zinc/39/04/90/434390490.db2.gz IBZXOOCTZIXBOZ-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000353745240 434390498 /nfs/dbraw/zinc/39/04/98/434390498.db2.gz IBZXOOCTZIXBOZ-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1OC ZINC000353745240 434390506 /nfs/dbraw/zinc/39/05/06/434390506.db2.gz IBZXOOCTZIXBOZ-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1OC ZINC000353745240 434390513 /nfs/dbraw/zinc/39/05/13/434390513.db2.gz IBZXOOCTZIXBOZ-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP CCSCC[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000437775161 434334827 /nfs/dbraw/zinc/33/48/27/434334827.db2.gz MMUZRAKOTXYEFB-IYBDPMFKSA-N 2 1 322.518 3.139 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423275999 434336153 /nfs/dbraw/zinc/33/61/53/434336153.db2.gz NWLRQWNPEGOYBF-SMDDNHRTSA-N 2 1 304.463 3.147 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423277815 434336324 /nfs/dbraw/zinc/33/63/24/434336324.db2.gz OYWDXGMOXYHWNQ-KURKYZTESA-N 2 1 306.494 3.236 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423275997 434336469 /nfs/dbraw/zinc/33/64/69/434336469.db2.gz NWLRQWNPEGOYBF-FZMZJTMJSA-N 2 1 304.463 3.147 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423286522 434338783 /nfs/dbraw/zinc/33/87/83/434338783.db2.gz HTHPUPOFPPTSOG-MRXNPFEDSA-N 2 1 303.837 3.346 20 0 DGADMP CCC([NH3+])(CC)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423280754 434338993 /nfs/dbraw/zinc/33/89/93/434338993.db2.gz AACVHPHSWYUELT-REPLKXPHSA-N 2 1 315.505 3.289 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423280364 434340878 /nfs/dbraw/zinc/34/08/78/434340878.db2.gz TYEUXTBXLCNAMW-RHSMWYFYSA-N 2 1 320.481 3.194 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000287383402 434349390 /nfs/dbraw/zinc/34/93/90/434349390.db2.gz IIUFGMKGLXTOKS-LMSBXDPUSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000287383402 434349397 /nfs/dbraw/zinc/34/93/97/434349397.db2.gz IIUFGMKGLXTOKS-LMSBXDPUSA-N 2 1 304.503 3.381 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000423296995 434351641 /nfs/dbraw/zinc/35/16/41/434351641.db2.gz IHTUINUBLBNCMN-UAFMIMERSA-N 3 1 315.505 3.004 20 0 DGADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423306775 434355096 /nfs/dbraw/zinc/35/50/96/434355096.db2.gz UTBIJHWHYKZPLG-SNVBAGLBSA-N 2 1 305.422 3.128 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423304948 434355999 /nfs/dbraw/zinc/35/59/99/434355999.db2.gz ZTBIHSOOQQWEMC-GXTWGEPZSA-N 2 1 303.450 3.084 20 0 DGADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423306774 434356317 /nfs/dbraw/zinc/35/63/17/434356317.db2.gz UTBIJHWHYKZPLG-JTQLQIEISA-N 2 1 305.422 3.128 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423313314 434356512 /nfs/dbraw/zinc/35/65/12/434356512.db2.gz FLERROQRVNIAMU-HUUCEWRRSA-N 2 1 309.251 3.153 20 0 DGADMP CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358157794 434358165 /nfs/dbraw/zinc/35/81/65/434358165.db2.gz PABOKLSOOALLSM-RDTXWAMCSA-N 2 1 301.434 3.382 20 0 DGADMP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000390561200 434359834 /nfs/dbraw/zinc/35/98/34/434359834.db2.gz MATRJTGQDJJWPW-YSGRDPCXSA-N 2 1 309.457 3.241 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cs1 ZINC000423390127 434397748 /nfs/dbraw/zinc/39/77/48/434397748.db2.gz VUADAUVOCKIDQG-YWVKMMECSA-N 2 1 303.269 3.302 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000423392843 434400013 /nfs/dbraw/zinc/40/00/13/434400013.db2.gz QTZAIBGQHGWPFR-FHWLQOOXSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@]2(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358656231 434403634 /nfs/dbraw/zinc/40/36/34/434403634.db2.gz XJWDLWLSRNFOFH-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@]2(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358656231 434403643 /nfs/dbraw/zinc/40/36/43/434403643.db2.gz XJWDLWLSRNFOFH-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000353754149 434403913 /nfs/dbraw/zinc/40/39/13/434403913.db2.gz YFXPDJYWVAEQKN-WMZOPIPTSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000353754149 434403919 /nfs/dbraw/zinc/40/39/19/434403919.db2.gz YFXPDJYWVAEQKN-WMZOPIPTSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000353754149 434403927 /nfs/dbraw/zinc/40/39/27/434403927.db2.gz YFXPDJYWVAEQKN-WMZOPIPTSA-N 2 1 312.461 3.177 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287592887 434404634 /nfs/dbraw/zinc/40/46/34/434404634.db2.gz RQYLLPJCHUWZHO-CUDHKJQZSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000438101421 434405360 /nfs/dbraw/zinc/40/53/60/434405360.db2.gz GGMFHGOQKNVXIC-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000438101421 434405371 /nfs/dbraw/zinc/40/53/71/434405371.db2.gz GGMFHGOQKNVXIC-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101421 434405379 /nfs/dbraw/zinc/40/53/79/434405379.db2.gz GGMFHGOQKNVXIC-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101421 434405388 /nfs/dbraw/zinc/40/53/88/434405388.db2.gz GGMFHGOQKNVXIC-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000438119572 434414120 /nfs/dbraw/zinc/41/41/20/434414120.db2.gz TYLCMTUNSWVCGR-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1c1ccccc1 ZINC000423429254 434418343 /nfs/dbraw/zinc/41/83/43/434418343.db2.gz SEDAVWNHOXNSBN-LFGUQSLTSA-N 3 1 315.505 3.177 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1c1ccccc1 ZINC000423429254 434418347 /nfs/dbraw/zinc/41/83/47/434418347.db2.gz SEDAVWNHOXNSBN-LFGUQSLTSA-N 3 1 315.505 3.177 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423487168 434448302 /nfs/dbraw/zinc/44/83/02/434448302.db2.gz VHUOMQBKPSNQIZ-RYUDHWBXSA-N 2 1 300.418 3.304 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCOC1CCC1 ZINC000287665229 434424590 /nfs/dbraw/zinc/42/45/90/434424590.db2.gz HIQNPJLCFFMKMC-INIZCTEOSA-N 2 1 313.445 3.378 20 0 DGADMP Cc1ncccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348639895 434427473 /nfs/dbraw/zinc/42/74/73/434427473.db2.gz FFMHRBPVHBEHMW-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ncccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348639895 434427484 /nfs/dbraw/zinc/42/74/84/434427484.db2.gz FFMHRBPVHBEHMW-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ncccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348639895 434427489 /nfs/dbraw/zinc/42/74/89/434427489.db2.gz FFMHRBPVHBEHMW-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ncccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348639895 434427497 /nfs/dbraw/zinc/42/74/97/434427497.db2.gz FFMHRBPVHBEHMW-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OCc2ccccc2)cc1 ZINC000423443103 434428001 /nfs/dbraw/zinc/42/80/01/434428001.db2.gz VKZXNLCIFIOPNS-FCDRMGDPSA-N 2 1 308.425 3.134 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000438182950 434429697 /nfs/dbraw/zinc/42/96/97/434429697.db2.gz VHUGJTBHNXBCQY-IRXDYDNUSA-N 2 1 302.462 3.228 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423459130 434433755 /nfs/dbraw/zinc/43/37/55/434433755.db2.gz HRXRJJUUCAAJCQ-CABZTGNLSA-N 2 1 303.269 3.289 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCC(C)(C)C)c2)CCO1 ZINC000438210831 434434867 /nfs/dbraw/zinc/43/48/67/434434867.db2.gz VBUSFJYQGYDAMC-INIZCTEOSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC(C)(C)C)c2)CCO1 ZINC000438210831 434434877 /nfs/dbraw/zinc/43/48/77/434434877.db2.gz VBUSFJYQGYDAMC-INIZCTEOSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423465289 434437481 /nfs/dbraw/zinc/43/74/81/434437481.db2.gz HPAIEBDLTDYDJD-NBYUQASBSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423465289 434437493 /nfs/dbraw/zinc/43/74/93/434437493.db2.gz HPAIEBDLTDYDJD-NBYUQASBSA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423500138 434460069 /nfs/dbraw/zinc/46/00/69/434460069.db2.gz CTOWJZUTQCTCDQ-GDBMZVCRSA-N 2 1 308.491 3.216 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423507776 434467109 /nfs/dbraw/zinc/46/71/09/434467109.db2.gz QKMQHENQCDGZJW-YOEHRIQHSA-N 2 1 320.477 3.050 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2nc3cccc(Cl)c3n2C)[C@@H](C)C1 ZINC000359996214 434470763 /nfs/dbraw/zinc/47/07/63/434470763.db2.gz VUIZYUVBNMIWQI-GXTWGEPZSA-N 2 1 320.868 3.047 20 0 DGADMP Cc1n[nH]c(C)c1CNCc1c(Cl)cccc1-n1ccnc1 ZINC000296005797 434473273 /nfs/dbraw/zinc/47/32/73/434473273.db2.gz LGVSCJXLMSEQAM-UHFFFAOYSA-N 2 1 315.808 3.155 20 0 DGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1OC(F)(F)F ZINC000423528575 434475039 /nfs/dbraw/zinc/47/50/39/434475039.db2.gz OOMPPUKAVOJOOP-LLVKDONJSA-N 2 1 302.340 3.378 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000366672735 434479313 /nfs/dbraw/zinc/47/93/13/434479313.db2.gz WSOKXEOJJHKICA-WJYNOGRTSA-N 2 1 317.383 3.462 20 0 DGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)s1 ZINC000423533980 434481959 /nfs/dbraw/zinc/48/19/59/434481959.db2.gz ZBINYCGGADYRPI-SECBINFHSA-N 2 1 303.269 3.303 20 0 DGADMP Brc1cc2c(s1)CC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423551711 434483653 /nfs/dbraw/zinc/48/36/53/434483653.db2.gz JJYJCCQMGXGENB-LLVKDONJSA-N 2 1 315.280 3.230 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400368907 434485900 /nfs/dbraw/zinc/48/59/00/434485900.db2.gz SWBXCQUCTSZCKZ-UHOSZYNNSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000400681494 434490099 /nfs/dbraw/zinc/49/00/99/434490099.db2.gz WKYPPYPIIXQMLK-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000400681494 434490101 /nfs/dbraw/zinc/49/01/01/434490101.db2.gz WKYPPYPIIXQMLK-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000360045348 434491426 /nfs/dbraw/zinc/49/14/26/434491426.db2.gz KIOZIFARNIGLSH-HYVNUMGLSA-N 2 1 309.523 3.061 20 0 DGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423487563 434450168 /nfs/dbraw/zinc/45/01/68/434450168.db2.gz CSCGARGICMZPLM-IEBWSBKVSA-N 2 1 302.462 3.156 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000398072600 434452560 /nfs/dbraw/zinc/45/25/60/434452560.db2.gz ZEAMMCPTCJBACT-UWGQAIRJSA-N 2 1 321.468 3.384 20 0 DGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000398181654 434455602 /nfs/dbraw/zinc/45/56/02/434455602.db2.gz XDUSUHZUHQFCFY-NZSAHSFTSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000398226596 434456382 /nfs/dbraw/zinc/45/63/82/434456382.db2.gz YFESBKXIPSHZBX-BTHPGYMESA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000398226596 434456393 /nfs/dbraw/zinc/45/63/93/434456393.db2.gz YFESBKXIPSHZBX-BTHPGYMESA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@@H]1CC[NH3+] ZINC000404351052 434509439 /nfs/dbraw/zinc/50/94/39/434509439.db2.gz JHFFONUBLULZMT-CZUORRHYSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@@H]1CC[NH3+] ZINC000404351052 434509447 /nfs/dbraw/zinc/50/94/47/434509447.db2.gz JHFFONUBLULZMT-CZUORRHYSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@@H]1CC[NH3+] ZINC000404378833 434510237 /nfs/dbraw/zinc/51/02/37/434510237.db2.gz SUGWNEJRQKAREV-XJKSGUPXSA-N 2 1 323.868 3.118 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473911 434516520 /nfs/dbraw/zinc/51/65/20/434516520.db2.gz UPEGDSFNAAAIGK-KSSFIOAISA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473911 434516530 /nfs/dbraw/zinc/51/65/30/434516530.db2.gz UPEGDSFNAAAIGK-KSSFIOAISA-N 2 1 315.486 3.452 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834049 434516550 /nfs/dbraw/zinc/51/65/50/434516550.db2.gz PGDUZTHAYVALEE-DOTOQJQBSA-N 2 1 320.477 3.186 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834049 434516558 /nfs/dbraw/zinc/51/65/58/434516558.db2.gz PGDUZTHAYVALEE-DOTOQJQBSA-N 2 1 320.477 3.186 20 0 DGADMP CC(C)c1noc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366867509 434524584 /nfs/dbraw/zinc/52/45/84/434524584.db2.gz JQQQVIXVOQVSSK-CQSZACIVSA-N 2 1 306.454 3.062 20 0 DGADMP CC(C)c1noc([C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366867509 434524591 /nfs/dbraw/zinc/52/45/91/434524591.db2.gz JQQQVIXVOQVSSK-CQSZACIVSA-N 2 1 306.454 3.062 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000353923785 434529834 /nfs/dbraw/zinc/52/98/34/434529834.db2.gz APGZUQFBLRDRSP-MHORFTMASA-N 2 1 324.509 3.208 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000353934850 434536003 /nfs/dbraw/zinc/53/60/03/434536003.db2.gz YPKRQWVLKCEVQC-PMACEKPBSA-N 2 1 316.489 3.230 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000353934850 434536009 /nfs/dbraw/zinc/53/60/09/434536009.db2.gz YPKRQWVLKCEVQC-PMACEKPBSA-N 2 1 316.489 3.230 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417865652 434538815 /nfs/dbraw/zinc/53/88/15/434538815.db2.gz COOYKYTVFYIMDP-GOSISDBHSA-N 2 1 302.462 3.117 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCN(c2ccccc2)CC1 ZINC000438993009 434553125 /nfs/dbraw/zinc/55/31/25/434553125.db2.gz JMRPCFSUSYXMCO-UHFFFAOYSA-N 2 1 315.505 3.463 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417935861 434554125 /nfs/dbraw/zinc/55/41/25/434554125.db2.gz RPOPTLDSWYSQRB-QAPCUYQASA-N 2 1 302.462 3.369 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000353973065 434554481 /nfs/dbraw/zinc/55/44/81/434554481.db2.gz PJVYVZYLLBSREX-RBUKOAKNSA-N 2 1 302.462 3.023 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459368799 434567391 /nfs/dbraw/zinc/56/73/91/434567391.db2.gz DFIUVOLVVTZHEW-KURKYZTESA-N 2 1 322.518 3.007 20 0 DGADMP CC[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348966132 434568070 /nfs/dbraw/zinc/56/80/70/434568070.db2.gz OAWXNFXQGDDLKB-UHFFFAOYSA-N 2 1 322.403 3.362 20 0 DGADMP CC[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348966132 434568077 /nfs/dbraw/zinc/56/80/77/434568077.db2.gz OAWXNFXQGDDLKB-UHFFFAOYSA-N 2 1 322.403 3.362 20 0 DGADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000525977561 295047023 /nfs/dbraw/zinc/04/70/23/295047023.db2.gz WIPXCFOYFUANBO-IRXDYDNUSA-N 2 1 324.509 3.162 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@H]1SC ZINC000459376952 434573822 /nfs/dbraw/zinc/57/38/22/434573822.db2.gz OOROHCZZDRSGSV-YYIAUSFCSA-N 2 1 314.539 3.140 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@@H]3CC34CC4)CCCC2)CC1 ZINC000527859181 295141432 /nfs/dbraw/zinc/14/14/32/295141432.db2.gz DFAXJEDZMZAZCM-RDJZCZTQSA-N 2 1 306.494 3.188 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000528044789 295170896 /nfs/dbraw/zinc/17/08/96/295170896.db2.gz VADILFGRTNXTJZ-GOSISDBHSA-N 2 1 303.450 3.005 20 0 DGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431941 434582543 /nfs/dbraw/zinc/58/25/43/434582543.db2.gz GBGJLDVLRCPQAM-MAUKXSAKSA-N 2 1 313.445 3.373 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090718538 295289154 /nfs/dbraw/zinc/28/91/54/295289154.db2.gz VNJZBEDWVFNKOU-IIDMSEBBSA-N 2 1 304.478 3.291 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1(C(=O)OC)CCC1 ZINC000354030045 434586790 /nfs/dbraw/zinc/58/67/90/434586790.db2.gz RICCMLHKBDCNCR-IRXDYDNUSA-N 2 1 324.509 3.066 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000354100585 434618012 /nfs/dbraw/zinc/61/80/12/434618012.db2.gz NHLLEIDJJCBKLS-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000354100626 434619193 /nfs/dbraw/zinc/61/91/93/434619193.db2.gz OGFGHCYGAYRWAX-LZLYRXPVSA-N 2 1 320.477 3.336 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000360602995 434645255 /nfs/dbraw/zinc/64/52/55/434645255.db2.gz AOSGUCZLZRWCCG-RBUKOAKNSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000360602995 434645262 /nfs/dbraw/zinc/64/52/62/434645262.db2.gz AOSGUCZLZRWCCG-RBUKOAKNSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000360602995 434645267 /nfs/dbraw/zinc/64/52/67/434645267.db2.gz AOSGUCZLZRWCCG-RBUKOAKNSA-N 2 1 313.445 3.170 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1ccc(C)nc1 ZINC000349183389 434629452 /nfs/dbraw/zinc/62/94/52/434629452.db2.gz GXGZSKLXAHEUOR-UHFFFAOYSA-N 2 1 314.477 3.494 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1ccc(C)nc1 ZINC000349183389 434629456 /nfs/dbraw/zinc/62/94/56/434629456.db2.gz GXGZSKLXAHEUOR-UHFFFAOYSA-N 2 1 314.477 3.494 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459549177 434602819 /nfs/dbraw/zinc/60/28/19/434602819.db2.gz YSFUIWBZUKCVGJ-QGZVFWFLSA-N 2 1 307.482 3.139 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)CSc2ccc(C)cc2)CC1 ZINC000349357099 434691190 /nfs/dbraw/zinc/69/11/90/434691190.db2.gz SPFPJVFXFMXAIO-INIZCTEOSA-N 2 1 322.518 3.176 20 0 DGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424322381 434696648 /nfs/dbraw/zinc/69/66/48/434696648.db2.gz JRPYZBKUQQMQBV-CABCVRRESA-N 2 1 312.498 3.064 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000459640611 434646089 /nfs/dbraw/zinc/64/60/89/434646089.db2.gz XHOLWQCSCQVOBG-WZGPROSRSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000459640611 434646095 /nfs/dbraw/zinc/64/60/95/434646095.db2.gz XHOLWQCSCQVOBG-WZGPROSRSA-N 2 1 302.462 3.197 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000354168278 434652239 /nfs/dbraw/zinc/65/22/39/434652239.db2.gz WXWVCNWMVUBXGD-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000354168278 434652246 /nfs/dbraw/zinc/65/22/46/434652246.db2.gz WXWVCNWMVUBXGD-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2c1 ZINC000354168278 434652255 /nfs/dbraw/zinc/65/22/55/434652255.db2.gz WXWVCNWMVUBXGD-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2c1 ZINC000354168278 434652261 /nfs/dbraw/zinc/65/22/61/434652261.db2.gz WXWVCNWMVUBXGD-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354179078 434655309 /nfs/dbraw/zinc/65/53/09/434655309.db2.gz ZLLHYYWDMAJIEZ-LJQANCHMSA-N 2 1 302.462 3.175 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354179078 434655315 /nfs/dbraw/zinc/65/53/15/434655315.db2.gz ZLLHYYWDMAJIEZ-LJQANCHMSA-N 2 1 302.462 3.175 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354179078 434655321 /nfs/dbraw/zinc/65/53/21/434655321.db2.gz ZLLHYYWDMAJIEZ-LJQANCHMSA-N 2 1 302.462 3.175 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220398 434673488 /nfs/dbraw/zinc/67/34/88/434673488.db2.gz FNOSMMADESGPSO-DLBZAZTESA-N 2 1 317.477 3.047 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220304 434674414 /nfs/dbraw/zinc/67/44/14/434674414.db2.gz FCDSXPHWMKVZMH-IAGOWNOFSA-N 2 1 317.477 3.047 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219869 434674450 /nfs/dbraw/zinc/67/44/50/434674450.db2.gz FRWOVNWYKKYRAA-SJLPKXTDSA-N 2 1 317.477 3.047 20 0 DGADMP COCCC[N@@H+](CCCc1ccc(C)nc1)Cc1ccncc1 ZINC000349332650 434675875 /nfs/dbraw/zinc/67/58/75/434675875.db2.gz OCWWMZSTXZOGJL-UHFFFAOYSA-N 2 1 313.445 3.256 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729741 434680028 /nfs/dbraw/zinc/68/00/28/434680028.db2.gz DNTUNFYHYPBXKK-WMZOPIPTSA-N 2 1 304.478 3.338 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)cc3cccnc31)CC[NH2+]CC2 ZINC000424289658 434680387 /nfs/dbraw/zinc/68/03/87/434680387.db2.gz MGDPPARIDBZZHP-CQSZACIVSA-N 2 1 313.420 3.338 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424298089 434682774 /nfs/dbraw/zinc/68/27/74/434682774.db2.gz TWXILZYOSWFQKU-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(C(C)(C)C)cs1)CC[NH2+]CC2 ZINC000424300488 434686391 /nfs/dbraw/zinc/68/63/91/434686391.db2.gz WJPDYGMTJQDILF-CYBMUJFWSA-N 2 1 307.507 3.405 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360976431 434752149 /nfs/dbraw/zinc/75/21/49/434752149.db2.gz YHAMSWPPXINLLP-IYBDPMFKSA-N 2 1 306.498 3.230 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360976431 434752157 /nfs/dbraw/zinc/75/21/57/434752157.db2.gz YHAMSWPPXINLLP-IYBDPMFKSA-N 2 1 306.498 3.230 20 0 DGADMP CC[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000419228845 434753686 /nfs/dbraw/zinc/75/36/86/434753686.db2.gz NGRSAMBZFMCUNN-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc(F)cc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000360985001 434754278 /nfs/dbraw/zinc/75/42/78/434754278.db2.gz TYZWMBKIDFZKFL-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000459770961 434710119 /nfs/dbraw/zinc/71/01/19/434710119.db2.gz HZGMNEMSGMYZGA-SMDDNHRTSA-N 2 1 312.379 3.413 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459773651 434711859 /nfs/dbraw/zinc/71/18/59/434711859.db2.gz ISZUCZJRDJUGJV-HOTGVXAUSA-N 2 1 314.477 3.206 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000424371234 434713583 /nfs/dbraw/zinc/71/35/83/434713583.db2.gz DESNTZSXMAGCQS-RTBURBONSA-N 2 1 311.429 3.020 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OCC ZINC000424372099 434714804 /nfs/dbraw/zinc/71/48/04/434714804.db2.gz GZCCHHAZJZPSSI-FVQBIDKESA-N 2 1 306.450 3.405 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2sccc2Br)C1 ZINC000459789202 434722087 /nfs/dbraw/zinc/72/20/87/434722087.db2.gz QJTJZHUKUQOJMJ-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP c1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccc1C[NH+]1CCCCC1 ZINC000411183807 434739865 /nfs/dbraw/zinc/73/98/65/434739865.db2.gz DEQVMJXOUCWVTJ-UXHICEINSA-N 2 1 314.473 3.426 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC000419270079 434759994 /nfs/dbraw/zinc/75/99/94/434759994.db2.gz CRIOQYJOOVYZBU-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC000419270079 434760000 /nfs/dbraw/zinc/76/00/00/434760000.db2.gz CRIOQYJOOVYZBU-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317462 434760189 /nfs/dbraw/zinc/76/01/89/434760189.db2.gz YMKYVFBSIURREN-AYOQOUSVSA-N 2 1 302.437 3.489 20 0 DGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317462 434760193 /nfs/dbraw/zinc/76/01/93/434760193.db2.gz YMKYVFBSIURREN-AYOQOUSVSA-N 2 1 302.437 3.489 20 0 DGADMP C[C@H]1OCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411318080 434761739 /nfs/dbraw/zinc/76/17/39/434761739.db2.gz DGGNCKHMZZCYFA-DLBZAZTESA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H]1OCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411318080 434761745 /nfs/dbraw/zinc/76/17/45/434761745.db2.gz DGGNCKHMZZCYFA-DLBZAZTESA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442875244 434773155 /nfs/dbraw/zinc/77/31/55/434773155.db2.gz NPCZFRCBWCOPSE-ROUUACIJSA-N 2 1 309.542 3.207 20 0 DGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411398146 434774299 /nfs/dbraw/zinc/77/42/99/434774299.db2.gz AXWVFLRJWAZKMG-YLJYHZDGSA-N 2 1 316.489 3.408 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000453059284 434785859 /nfs/dbraw/zinc/78/58/59/434785859.db2.gz MLLJDGMXROAKFA-INIZCTEOSA-N 2 1 309.523 3.125 20 0 DGADMP CC[C@@H](C)[N@@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411734843 434822398 /nfs/dbraw/zinc/82/23/98/434822398.db2.gz BNFNPPJHCCWFHI-QGZVFWFLSA-N 2 1 304.478 3.265 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000453178227 434824193 /nfs/dbraw/zinc/82/41/93/434824193.db2.gz SIPOGBQEWRAMFD-AOIWGVFYSA-N 2 1 324.472 3.428 20 0 DGADMP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411762731 434826439 /nfs/dbraw/zinc/82/64/39/434826439.db2.gz XRYFRICUJWJNLO-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411756991 434826510 /nfs/dbraw/zinc/82/65/10/434826510.db2.gz KFYQKALAELYSHG-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060702 434863159 /nfs/dbraw/zinc/86/31/59/434863159.db2.gz GQPDEBQIPZZARJ-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060702 434863161 /nfs/dbraw/zinc/86/31/61/434863161.db2.gz GQPDEBQIPZZARJ-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060702 434863162 /nfs/dbraw/zinc/86/31/62/434863162.db2.gz GQPDEBQIPZZARJ-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453201825 434828294 /nfs/dbraw/zinc/82/82/94/434828294.db2.gz AXSYAWDELJUGHL-AQNXPRMDSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]([N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1)C(C)(C)O ZINC000411804588 434831161 /nfs/dbraw/zinc/83/11/61/434831161.db2.gz YWPMFHMFTCNGGT-INIZCTEOSA-N 2 1 304.478 3.264 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521272009 434878431 /nfs/dbraw/zinc/87/84/31/434878431.db2.gz QOBQMTGSBOKRGO-APWZRJJASA-N 2 1 324.472 3.000 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521272009 434878434 /nfs/dbraw/zinc/87/84/34/434878434.db2.gz QOBQMTGSBOKRGO-APWZRJJASA-N 2 1 324.472 3.000 20 0 DGADMP Cn1c[nH+]cc1CCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573247733 434883805 /nfs/dbraw/zinc/88/38/05/434883805.db2.gz JLEUMFHWFHIIEA-GOSISDBHSA-N 2 1 315.486 3.360 20 0 DGADMP Cn1c[nH+]cc1CCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000573247733 434883808 /nfs/dbraw/zinc/88/38/08/434883808.db2.gz JLEUMFHWFHIIEA-GOSISDBHSA-N 2 1 315.486 3.360 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462123348 434900777 /nfs/dbraw/zinc/90/07/77/434900777.db2.gz PUBOEOHFMSKVFD-PKOBYXMFSA-N 2 1 318.505 3.080 20 0 DGADMP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc2c1OCO2 ZINC000553770401 434902326 /nfs/dbraw/zinc/90/23/26/434902326.db2.gz QNMMJAVXPYRJJU-UHFFFAOYSA-N 2 1 316.445 3.302 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000638020340 434936241 /nfs/dbraw/zinc/93/62/41/434936241.db2.gz HHQRGHOMTRIVPO-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+](CCC[C@@H]1CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638030781 434938095 /nfs/dbraw/zinc/93/80/95/434938095.db2.gz LFHYAYXKQSUCJQ-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+](CCC[C@@H]1CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638030781 434938099 /nfs/dbraw/zinc/93/80/99/434938099.db2.gz LFHYAYXKQSUCJQ-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724575 434944552 /nfs/dbraw/zinc/94/45/52/434944552.db2.gz LWSDCLJITLZZRQ-QLIIJSOBSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724575 434944558 /nfs/dbraw/zinc/94/45/58/434944558.db2.gz LWSDCLJITLZZRQ-QLIIJSOBSA-N 2 1 314.473 3.186 20 0 DGADMP C[N@@H+](CCC[C@@H]1CCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067750 434944849 /nfs/dbraw/zinc/94/48/49/434944849.db2.gz UKLWFZOEYOADLY-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@@H]1CCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067750 434944853 /nfs/dbraw/zinc/94/48/53/434944853.db2.gz UKLWFZOEYOADLY-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@@H]1CCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067750 434944855 /nfs/dbraw/zinc/94/48/55/434944855.db2.gz UKLWFZOEYOADLY-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2ccnn2C)CC1)CC(C)C ZINC000555052294 434957827 /nfs/dbraw/zinc/95/78/27/434957827.db2.gz YUVHDESOGUWSCF-UHFFFAOYSA-N 2 1 320.525 3.043 20 0 DGADMP CCc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000574283529 434965418 /nfs/dbraw/zinc/96/54/18/434965418.db2.gz VLEICFDERRQJKD-UHFFFAOYSA-N 2 1 324.468 3.371 20 0 DGADMP CC[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)OC ZINC000638377341 435017508 /nfs/dbraw/zinc/01/75/08/435017508.db2.gz HPQYRZNACJSIPK-LJQANCHMSA-N 2 1 304.478 3.364 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000638377327 435018255 /nfs/dbraw/zinc/01/82/55/435018255.db2.gz HMDHXFWVQQTYBQ-MAUKXSAKSA-N 2 1 304.503 3.443 20 0 DGADMP CC[N@H+]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2N)C1 ZINC000638382676 435019301 /nfs/dbraw/zinc/01/93/01/435019301.db2.gz YVVTXMWXFRCIMJ-SNVBAGLBSA-N 2 1 302.249 3.007 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638382676 435019304 /nfs/dbraw/zinc/01/93/04/435019304.db2.gz YVVTXMWXFRCIMJ-SNVBAGLBSA-N 2 1 302.249 3.007 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638382676 435019307 /nfs/dbraw/zinc/01/93/07/435019307.db2.gz YVVTXMWXFRCIMJ-SNVBAGLBSA-N 2 1 302.249 3.007 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC1(F)F ZINC000638421647 435027525 /nfs/dbraw/zinc/02/75/25/435027525.db2.gz XNTJEGYTCIKFQH-CPUCHLNUSA-N 2 1 324.415 3.041 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC1(F)F ZINC000638421647 435027531 /nfs/dbraw/zinc/02/75/31/435027531.db2.gz XNTJEGYTCIKFQH-CPUCHLNUSA-N 2 1 324.415 3.041 20 0 DGADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443405 435030463 /nfs/dbraw/zinc/03/04/63/435030463.db2.gz MVZMBQIPESOMFY-DFQSSKMNSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443405 435030467 /nfs/dbraw/zinc/03/04/67/435030467.db2.gz MVZMBQIPESOMFY-DFQSSKMNSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443405 435030471 /nfs/dbraw/zinc/03/04/71/435030471.db2.gz MVZMBQIPESOMFY-DFQSSKMNSA-N 2 1 313.489 3.038 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](CNCc3ccns3)C2)c1 ZINC000638447406 435032151 /nfs/dbraw/zinc/03/21/51/435032151.db2.gz JOKUYZYVIPCQLQ-ZDUSSCGKSA-N 2 1 307.488 3.206 20 0 DGADMP c1csc(CN2CCC[C@@H](C[NH2+]Cc3ccns3)C2)c1 ZINC000638447406 435032158 /nfs/dbraw/zinc/03/21/58/435032158.db2.gz JOKUYZYVIPCQLQ-ZDUSSCGKSA-N 2 1 307.488 3.206 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000555533253 434977160 /nfs/dbraw/zinc/97/71/60/434977160.db2.gz DHGJRHXNFHQSOF-KURKYZTESA-N 2 1 324.509 3.210 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1c[nH+]cn1C ZINC000574576407 434987571 /nfs/dbraw/zinc/98/75/71/434987571.db2.gz CYTBPLDQFILBIM-LBPRGKRZSA-N 2 1 311.351 3.202 20 0 DGADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000574629868 434991567 /nfs/dbraw/zinc/99/15/67/434991567.db2.gz AHMQNMUHCSCQDO-HKUYNNGSSA-N 2 1 303.494 3.017 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638316804 435002988 /nfs/dbraw/zinc/00/29/88/435002988.db2.gz MABWGUWTYZEGFV-PKOBYXMFSA-N 2 1 302.462 3.371 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638316804 435002990 /nfs/dbraw/zinc/00/29/90/435002990.db2.gz MABWGUWTYZEGFV-PKOBYXMFSA-N 2 1 302.462 3.371 20 0 DGADMP Clc1ccc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000557874873 435071107 /nfs/dbraw/zinc/07/11/07/435071107.db2.gz KUNLWNWINIXTDE-GFCCVEGCSA-N 2 1 301.821 3.206 20 0 DGADMP Clc1ccc2[nH+]ccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000557874873 435071109 /nfs/dbraw/zinc/07/11/09/435071109.db2.gz KUNLWNWINIXTDE-GFCCVEGCSA-N 2 1 301.821 3.206 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2cccc(CC)c2)CC1 ZINC000531143459 435074435 /nfs/dbraw/zinc/07/44/35/435074435.db2.gz DHHBMSKJNQGKMV-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638721845 435076609 /nfs/dbraw/zinc/07/66/09/435076609.db2.gz OALMIXFIYHLKBK-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638721845 435076613 /nfs/dbraw/zinc/07/66/13/435076613.db2.gz OALMIXFIYHLKBK-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H](CC[NH2+]C1CC(n2cccn2)C1)[N@@H+](C)Cc1ccccc1 ZINC000638723602 435078223 /nfs/dbraw/zinc/07/82/23/435078223.db2.gz QGACXLRCSHJQGL-IVMQYODDSA-N 2 1 312.461 3.087 20 0 DGADMP CCOC1CC(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000638722903 435078729 /nfs/dbraw/zinc/07/87/29/435078729.db2.gz AIKUDIVKECGCTO-IPJUCJBFSA-N 2 1 304.478 3.302 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC000558404645 435088564 /nfs/dbraw/zinc/08/85/64/435088564.db2.gz FXKZTRLOWJSUKR-UHFFFAOYSA-N 2 1 309.542 3.210 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000558419605 435088802 /nfs/dbraw/zinc/08/88/02/435088802.db2.gz RYRVIDSOGABLDQ-QZTJIDSGSA-N 2 1 309.542 3.161 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000558419251 435088871 /nfs/dbraw/zinc/08/88/71/435088871.db2.gz RMROKMQALVRFHW-NLWGTHIKSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000558419251 435088875 /nfs/dbraw/zinc/08/88/75/435088875.db2.gz RMROKMQALVRFHW-NLWGTHIKSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000558419251 435088880 /nfs/dbraw/zinc/08/88/80/435088880.db2.gz RMROKMQALVRFHW-NLWGTHIKSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000558419251 435088884 /nfs/dbraw/zinc/08/88/84/435088884.db2.gz RMROKMQALVRFHW-NLWGTHIKSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000558419251 435088887 /nfs/dbraw/zinc/08/88/87/435088887.db2.gz RMROKMQALVRFHW-NLWGTHIKSA-N 2 1 315.505 3.142 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638449133 435034396 /nfs/dbraw/zinc/03/43/96/435034396.db2.gz NDNIIXHHMIGCQG-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638489347 435041249 /nfs/dbraw/zinc/04/12/49/435041249.db2.gz ZBQORZDZJCRREL-QUCCMNQESA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638489347 435041252 /nfs/dbraw/zinc/04/12/52/435041252.db2.gz ZBQORZDZJCRREL-QUCCMNQESA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000558506278 435094570 /nfs/dbraw/zinc/09/45/70/435094570.db2.gz XRROMBKPCFRXDM-SCTDSRPQSA-N 2 1 309.542 3.348 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc(C)c1F ZINC000532226231 435149605 /nfs/dbraw/zinc/14/96/05/435149605.db2.gz NIFMXVHLJZMYDA-FUHWJXTLSA-N 2 1 322.468 3.186 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000532227616 435149638 /nfs/dbraw/zinc/14/96/38/435149638.db2.gz OEFXZUVPSHYIDF-PMACEKPBSA-N 2 1 316.489 3.354 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)C(C)C ZINC000531682542 435109507 /nfs/dbraw/zinc/10/95/07/435109507.db2.gz PMGKPKBGDMYZLW-HXUWFJFHSA-N 2 1 317.521 3.348 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677705 435109524 /nfs/dbraw/zinc/10/95/24/435109524.db2.gz QKULUIWJLFCDTI-WMZOPIPTSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676758 435110112 /nfs/dbraw/zinc/11/01/12/435110112.db2.gz DXIYLNYBIIWHBX-DVOMOZLQSA-N 2 1 312.404 3.149 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531704435 435111307 /nfs/dbraw/zinc/11/13/07/435111307.db2.gz BWONPXSPHBCTFF-FQEVSTJZSA-N 2 1 315.505 3.145 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531716095 435112995 /nfs/dbraw/zinc/11/29/95/435112995.db2.gz FMLJVIGBACQONB-KBXCAEBGSA-N 2 1 322.880 3.010 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531737226 435115582 /nfs/dbraw/zinc/11/55/82/435115582.db2.gz WWWKTBWGFSSYMU-COXVUDFISA-N 2 1 309.885 3.015 20 0 DGADMP Cn1cncc1CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000578878536 435117065 /nfs/dbraw/zinc/11/70/65/435117065.db2.gz AXMCPZXGCOPLTR-KRWDZBQOSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000578878536 435117068 /nfs/dbraw/zinc/11/70/68/435117068.db2.gz AXMCPZXGCOPLTR-KRWDZBQOSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000578878536 435117071 /nfs/dbraw/zinc/11/70/71/435117071.db2.gz AXMCPZXGCOPLTR-KRWDZBQOSA-N 2 1 301.409 3.199 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638980451 435127362 /nfs/dbraw/zinc/12/73/62/435127362.db2.gz DJHUKXOTENICAU-MFWIUYSUSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638980451 435127367 /nfs/dbraw/zinc/12/73/67/435127367.db2.gz DJHUKXOTENICAU-MFWIUYSUSA-N 2 1 302.462 3.104 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@@H](C)C1 ZINC000531944996 435129160 /nfs/dbraw/zinc/12/91/60/435129160.db2.gz UELNXLQFJIIKJM-LPHOPBHVSA-N 2 1 322.468 3.095 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400277 435130589 /nfs/dbraw/zinc/13/05/89/435130589.db2.gz GFNNVILULCFTLG-WBVHZDCISA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400277 435130597 /nfs/dbraw/zinc/13/05/97/435130597.db2.gz GFNNVILULCFTLG-WBVHZDCISA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400277 435130602 /nfs/dbraw/zinc/13/06/02/435130602.db2.gz GFNNVILULCFTLG-WBVHZDCISA-N 2 1 308.853 3.277 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000469992911 435132988 /nfs/dbraw/zinc/13/29/88/435132988.db2.gz RKQHRGHDRMLSJK-ZDUSSCGKSA-N 2 1 320.383 3.483 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000469992911 435132992 /nfs/dbraw/zinc/13/29/92/435132992.db2.gz RKQHRGHDRMLSJK-ZDUSSCGKSA-N 2 1 320.383 3.483 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000579192469 435136792 /nfs/dbraw/zinc/13/67/92/435136792.db2.gz GNNKMYOPTATNPP-LJQANCHMSA-N 2 1 312.457 3.098 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000579192469 435136797 /nfs/dbraw/zinc/13/67/97/435136797.db2.gz GNNKMYOPTATNPP-LJQANCHMSA-N 2 1 312.457 3.098 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000579192469 435136800 /nfs/dbraw/zinc/13/68/00/435136800.db2.gz GNNKMYOPTATNPP-LJQANCHMSA-N 2 1 312.457 3.098 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000579192469 435136803 /nfs/dbraw/zinc/13/68/03/435136803.db2.gz GNNKMYOPTATNPP-LJQANCHMSA-N 2 1 312.457 3.098 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)C[C@H]1c1ccccc1 ZINC000559740596 435137726 /nfs/dbraw/zinc/13/77/26/435137726.db2.gz LZDSXVMDLWVCLL-PMACEKPBSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)C[C@H]1c1ccccc1 ZINC000559740596 435137730 /nfs/dbraw/zinc/13/77/30/435137730.db2.gz LZDSXVMDLWVCLL-PMACEKPBSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559774530 435139695 /nfs/dbraw/zinc/13/96/95/435139695.db2.gz RJQPCWOCIZBJJK-PCCBWWKXSA-N 2 1 324.468 3.188 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559774530 435139700 /nfs/dbraw/zinc/13/97/00/435139700.db2.gz RJQPCWOCIZBJJK-PCCBWWKXSA-N 2 1 324.468 3.188 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474041741 435143596 /nfs/dbraw/zinc/14/35/96/435143596.db2.gz WKIVRKZKSUMDDX-GLJUWKHASA-N 2 1 302.462 3.490 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474041741 435143600 /nfs/dbraw/zinc/14/36/00/435143600.db2.gz WKIVRKZKSUMDDX-GLJUWKHASA-N 2 1 302.462 3.490 20 0 DGADMP CC(C)c1nc(CNCC[N@H+]2CCCC[C@H]2C)c2ccccn21 ZINC000579959924 435194811 /nfs/dbraw/zinc/19/48/11/435194811.db2.gz MJKPVBPWNRVMTR-MRXNPFEDSA-N 2 1 314.477 3.422 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCCC[C@H]2C)c2ccccn21 ZINC000579959924 435194817 /nfs/dbraw/zinc/19/48/17/435194817.db2.gz MJKPVBPWNRVMTR-MRXNPFEDSA-N 2 1 314.477 3.422 20 0 DGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@@H]1C ZINC000560880410 435195253 /nfs/dbraw/zinc/19/52/53/435195253.db2.gz OJWPKMRBLWTZJN-VVLHAWIVSA-N 2 1 321.534 3.061 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000579974434 435197404 /nfs/dbraw/zinc/19/74/04/435197404.db2.gz GAWYYIFEXBAYSH-GDBMZVCRSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000579974434 435197406 /nfs/dbraw/zinc/19/74/06/435197406.db2.gz GAWYYIFEXBAYSH-GDBMZVCRSA-N 2 1 306.450 3.186 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3=CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639219703 435202953 /nfs/dbraw/zinc/20/29/53/435202953.db2.gz OYWXAQBKKBECOE-UYAOXDASSA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3=CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639219703 435202958 /nfs/dbraw/zinc/20/29/58/435202958.db2.gz OYWXAQBKKBECOE-UYAOXDASSA-N 2 1 312.457 3.291 20 0 DGADMP C[C@H]1CC[N@H+](CCN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240697 435151931 /nfs/dbraw/zinc/15/19/31/435151931.db2.gz OAEHNMSYQHSWHO-BBRMVZONSA-N 2 1 308.853 3.485 20 0 DGADMP C[C@H]1CC[N@@H+](CCN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240697 435151935 /nfs/dbraw/zinc/15/19/35/435151935.db2.gz OAEHNMSYQHSWHO-BBRMVZONSA-N 2 1 308.853 3.485 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C2CC2)[NH+](C)C)cc1OC ZINC000474620467 435154534 /nfs/dbraw/zinc/15/45/34/435154534.db2.gz WPHXYNQVNUZKMH-JKIFEVAISA-N 2 1 320.477 3.126 20 0 DGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474721195 435157722 /nfs/dbraw/zinc/15/77/22/435157722.db2.gz SZSRTZURRFAPGX-UXHICEINSA-N 2 1 323.569 3.455 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000560404973 435166149 /nfs/dbraw/zinc/16/61/49/435166149.db2.gz BPIUIXUNPZXFAO-UHFFFAOYSA-N 2 1 321.808 3.096 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000560404973 435166151 /nfs/dbraw/zinc/16/61/51/435166151.db2.gz BPIUIXUNPZXFAO-UHFFFAOYSA-N 2 1 321.808 3.096 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1CCOCC1 ZINC000532482289 435168830 /nfs/dbraw/zinc/16/88/30/435168830.db2.gz DKROFHCCLQZCQQ-LJQANCHMSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000560463929 435171147 /nfs/dbraw/zinc/17/11/47/435171147.db2.gz HYCOEZHNOGWWIK-WCFLWFBJSA-N 2 1 309.866 3.459 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000579652333 435171145 /nfs/dbraw/zinc/17/11/45/435171145.db2.gz YERODYNZVPVZOY-ZACQAIPSSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000579652333 435171146 /nfs/dbraw/zinc/17/11/46/435171146.db2.gz YERODYNZVPVZOY-ZACQAIPSSA-N 2 1 306.498 3.156 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000579647805 435171272 /nfs/dbraw/zinc/17/12/72/435171272.db2.gz VYBYKJYMPVANIW-WMZOPIPTSA-N 2 1 314.473 3.316 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000639142239 435173167 /nfs/dbraw/zinc/17/31/67/435173167.db2.gz WJSZHERIYGPVAX-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000639142239 435173171 /nfs/dbraw/zinc/17/31/71/435173171.db2.gz WJSZHERIYGPVAX-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532525432 435173254 /nfs/dbraw/zinc/17/32/54/435173254.db2.gz WLIBPFHFVFXBFC-DVOMOZLQSA-N 2 1 323.868 3.129 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532525432 435173257 /nfs/dbraw/zinc/17/32/57/435173257.db2.gz WLIBPFHFVFXBFC-DVOMOZLQSA-N 2 1 323.868 3.129 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000532524383 435174207 /nfs/dbraw/zinc/17/42/07/435174207.db2.gz CJZURLFTXORJIS-YQQAZPJKSA-N 2 1 317.477 3.093 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000532524383 435174210 /nfs/dbraw/zinc/17/42/10/435174210.db2.gz CJZURLFTXORJIS-YQQAZPJKSA-N 2 1 317.477 3.093 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2N)C1 ZINC000639169077 435182099 /nfs/dbraw/zinc/18/20/99/435182099.db2.gz BNVWSFLYUJTKLW-LLVKDONJSA-N 2 1 316.276 3.396 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639169077 435182103 /nfs/dbraw/zinc/18/21/03/435182103.db2.gz BNVWSFLYUJTKLW-LLVKDONJSA-N 2 1 316.276 3.396 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639169077 435182106 /nfs/dbraw/zinc/18/21/06/435182106.db2.gz BNVWSFLYUJTKLW-LLVKDONJSA-N 2 1 316.276 3.396 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639257978 435214861 /nfs/dbraw/zinc/21/48/61/435214861.db2.gz VTOLJPMXGIALHO-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639257979 435215567 /nfs/dbraw/zinc/21/55/67/435215567.db2.gz VTOLJPMXGIALHO-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639273630 435224755 /nfs/dbraw/zinc/22/47/55/435224755.db2.gz XNQWCWGSGMMJKC-HKUYNNGSSA-N 2 1 313.489 3.038 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000580350813 435225135 /nfs/dbraw/zinc/22/51/35/435225135.db2.gz DZSFOOLAMGUYON-QYZOEREBSA-N 2 1 318.505 3.455 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000580350813 435225140 /nfs/dbraw/zinc/22/51/40/435225140.db2.gz DZSFOOLAMGUYON-QYZOEREBSA-N 2 1 318.505 3.455 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639250053 435212614 /nfs/dbraw/zinc/21/26/14/435212614.db2.gz OSEUWIOTGFCJKD-JYBIWHBTSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639250053 435212617 /nfs/dbraw/zinc/21/26/17/435212617.db2.gz OSEUWIOTGFCJKD-JYBIWHBTSA-N 2 1 314.473 3.105 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)CC1 ZINC000561975765 435243558 /nfs/dbraw/zinc/24/35/58/435243558.db2.gz OSAFNXXDEHGYBU-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000562082141 435250817 /nfs/dbraw/zinc/25/08/17/435250817.db2.gz GDTJGVQMXLQCOW-YJBOKZPZSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000562082141 435250823 /nfs/dbraw/zinc/25/08/23/435250823.db2.gz GDTJGVQMXLQCOW-YJBOKZPZSA-N 2 1 304.478 3.263 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330299 435245581 /nfs/dbraw/zinc/24/55/81/435245581.db2.gz KTJWLHRRKRATPI-OWYHZJEWSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330299 435245587 /nfs/dbraw/zinc/24/55/87/435245587.db2.gz KTJWLHRRKRATPI-OWYHZJEWSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330299 435245592 /nfs/dbraw/zinc/24/55/92/435245592.db2.gz KTJWLHRRKRATPI-OWYHZJEWSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330299 435245599 /nfs/dbraw/zinc/24/55/99/435245599.db2.gz KTJWLHRRKRATPI-OWYHZJEWSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330297 435246631 /nfs/dbraw/zinc/24/66/31/435246631.db2.gz KTJWLHRRKRATPI-LULLPPNCSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330297 435246637 /nfs/dbraw/zinc/24/66/37/435246637.db2.gz KTJWLHRRKRATPI-LULLPPNCSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330297 435246641 /nfs/dbraw/zinc/24/66/41/435246641.db2.gz KTJWLHRRKRATPI-LULLPPNCSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639330297 435246650 /nfs/dbraw/zinc/24/66/50/435246650.db2.gz KTJWLHRRKRATPI-LULLPPNCSA-N 2 1 300.446 3.122 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000583945078 435258173 /nfs/dbraw/zinc/25/81/73/435258173.db2.gz GYHDROWYXOANAA-NXEZZACHSA-N 2 1 308.294 3.343 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](c4nccn4C)C3)o2)cc1 ZINC000534309396 435277048 /nfs/dbraw/zinc/27/70/48/435277048.db2.gz JEGHNKIARZLMPG-INIZCTEOSA-N 2 1 322.412 3.373 20 0 DGADMP Cc1ccc(-c2cnc(CN3CC[C@H](c4nccn4C)C3)o2)cc1 ZINC000534309396 435277055 /nfs/dbraw/zinc/27/70/55/435277055.db2.gz JEGHNKIARZLMPG-INIZCTEOSA-N 2 1 322.412 3.373 20 0 DGADMP c1cc(C[NH+]2CCC3(CCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000643252677 435284714 /nfs/dbraw/zinc/28/47/14/435284714.db2.gz PWERQDQUSBVWHH-UHFFFAOYSA-N 2 1 314.473 3.285 20 0 DGADMP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1c[nH+]ccc1N ZINC000567159492 435290882 /nfs/dbraw/zinc/29/08/82/435290882.db2.gz MQEOYYRPPZLUTC-KLAILNCOSA-N 3 1 316.493 3.188 20 0 DGADMP CCCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000567210820 435295870 /nfs/dbraw/zinc/29/58/70/435295870.db2.gz LCVIVUKHWGYNBR-QGZVFWFLSA-N 2 1 320.477 3.066 20 0 DGADMP C[C@H](C[NH2+]Cc1cc2cc(Cl)cnc2o1)C[NH+]1CCCC1 ZINC000648429329 435297150 /nfs/dbraw/zinc/29/71/50/435297150.db2.gz ZZBJBPNHZQKVDW-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CC1(C)C[NH+](CCCC[N@H+]2CCSC(C)(C)C2)CCS1 ZINC000535011473 435310165 /nfs/dbraw/zinc/31/01/65/435310165.db2.gz FKHSQMRTZYCZNQ-UHFFFAOYSA-N 2 1 316.580 3.421 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534974497 435308328 /nfs/dbraw/zinc/30/83/28/435308328.db2.gz SNDIXNQUHQZFCE-KRWDZBQOSA-N 2 1 310.869 3.275 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000643058230 435264012 /nfs/dbraw/zinc/26/40/12/435264012.db2.gz ZGLPZIKIXICULC-LPHOPBHVSA-N 2 1 314.404 3.324 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000643058230 435264020 /nfs/dbraw/zinc/26/40/20/435264020.db2.gz ZGLPZIKIXICULC-LPHOPBHVSA-N 2 1 314.404 3.324 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CCOC3)C[C@@H]1C ZINC000639509450 435324784 /nfs/dbraw/zinc/32/47/84/435324784.db2.gz CBMNWJQJOQLHHA-MAUKXSAKSA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2CCOC3)C[C@@H]1C ZINC000639509450 435324790 /nfs/dbraw/zinc/32/47/90/435324790.db2.gz CBMNWJQJOQLHHA-MAUKXSAKSA-N 2 1 302.462 3.064 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CCOC3)C[C@@H]1C ZINC000639509450 435324793 /nfs/dbraw/zinc/32/47/93/435324793.db2.gz CBMNWJQJOQLHHA-MAUKXSAKSA-N 2 1 302.462 3.064 20 0 DGADMP Cc1cc(C)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)n1 ZINC000639506371 435325416 /nfs/dbraw/zinc/32/54/16/435325416.db2.gz BJXZEQZOLPMMMD-SFHVURJKSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)n1 ZINC000639506371 435325421 /nfs/dbraw/zinc/32/54/21/435325421.db2.gz BJXZEQZOLPMMMD-SFHVURJKSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)n1 ZINC000639506371 435325424 /nfs/dbraw/zinc/32/54/24/435325424.db2.gz BJXZEQZOLPMMMD-SFHVURJKSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000639506371 435325429 /nfs/dbraw/zinc/32/54/29/435325429.db2.gz BJXZEQZOLPMMMD-SFHVURJKSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000639506371 435325433 /nfs/dbraw/zinc/32/54/33/435325433.db2.gz BJXZEQZOLPMMMD-SFHVURJKSA-N 2 1 301.478 3.171 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457587 435330904 /nfs/dbraw/zinc/33/09/04/435330904.db2.gz PANDZEBCMBRJMO-AEFFLSMTSA-N 2 1 324.472 3.057 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000643472525 435331800 /nfs/dbraw/zinc/33/18/00/435331800.db2.gz LZLYSQZGNAZCEY-RYQLBKOJSA-N 2 1 317.477 3.107 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000643471837 435332921 /nfs/dbraw/zinc/33/29/21/435332921.db2.gz GZEHPNNIWGBWNC-IRXDYDNUSA-N 2 1 303.450 3.153 20 0 DGADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000643474504 435333635 /nfs/dbraw/zinc/33/36/35/435333635.db2.gz YGKSYUJXQMWAPD-DBOLQNLKSA-N 2 1 324.468 3.234 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Br ZINC000643521675 435341403 /nfs/dbraw/zinc/34/14/03/435341403.db2.gz ULHRBAOMDJVRSA-JQWIXIFHSA-N 2 1 315.230 3.381 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560087 435342498 /nfs/dbraw/zinc/34/24/98/435342498.db2.gz KZWKUQMEQFUPCN-YLJYHZDGSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560087 435342503 /nfs/dbraw/zinc/34/25/03/435342503.db2.gz KZWKUQMEQFUPCN-YLJYHZDGSA-N 2 1 316.489 3.025 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1)CC(C)C ZINC000639559444 435344464 /nfs/dbraw/zinc/34/44/64/435344464.db2.gz PTGCIGOZLBFYMI-MJGOQNOKSA-N 2 1 310.526 3.491 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000643526691 435344600 /nfs/dbraw/zinc/34/46/00/435344600.db2.gz DSEBMQAPWAVMRY-YMTOWFKASA-N 2 1 322.250 3.245 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)(C)C ZINC000643547627 435349906 /nfs/dbraw/zinc/34/99/06/435349906.db2.gz IIYSSJIFIVJZGE-ZFWWWQNUSA-N 2 1 304.482 3.272 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000535813190 435357791 /nfs/dbraw/zinc/35/77/91/435357791.db2.gz QGIXOAKXABTNSX-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000479949764 435359154 /nfs/dbraw/zinc/35/91/54/435359154.db2.gz OCNCQSQKSCQHFH-UHFFFAOYSA-N 2 1 320.477 3.462 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000479949764 435359158 /nfs/dbraw/zinc/35/91/58/435359158.db2.gz OCNCQSQKSCQHFH-UHFFFAOYSA-N 2 1 320.477 3.462 20 0 DGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)CC ZINC000567853798 435363374 /nfs/dbraw/zinc/36/33/74/435363374.db2.gz OPMBFGSXWKYOGK-OTWHNJEPSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)CC ZINC000567853798 435363380 /nfs/dbraw/zinc/36/33/80/435363380.db2.gz OPMBFGSXWKYOGK-OTWHNJEPSA-N 2 1 316.489 3.323 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654943 435364176 /nfs/dbraw/zinc/36/41/76/435364176.db2.gz QAUQAMPIHHPIDN-HLAWJBBLSA-N 2 1 323.484 3.415 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2c(C)cccc2C)[C@H](C)C1 ZINC000536874914 435417038 /nfs/dbraw/zinc/41/70/38/435417038.db2.gz FRMWSPGNNLZCRE-MSOLQXFVSA-N 2 1 304.478 3.392 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000643895264 435378837 /nfs/dbraw/zinc/37/88/37/435378837.db2.gz WNSSFRNMTXRVOW-KRWDZBQOSA-N 2 1 302.462 3.146 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCOc3ccccc31)CC[NH2+]CC2 ZINC000643973782 435388056 /nfs/dbraw/zinc/38/80/56/435388056.db2.gz QCYVEBZRMZIEFB-CVEARBPZSA-N 2 1 300.446 3.017 20 0 DGADMP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000480709204 435390845 /nfs/dbraw/zinc/39/08/45/435390845.db2.gz AAAZDLFEUZXXDP-APWZRJJASA-N 2 1 304.478 3.338 20 0 DGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000480783227 435396174 /nfs/dbraw/zinc/39/61/74/435396174.db2.gz ZEKBSULDJHNRQL-HKUYNNGSSA-N 2 1 317.521 3.389 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000482125177 435455168 /nfs/dbraw/zinc/45/51/68/435455168.db2.gz JOBSYYIJISPJLV-RYRKJORJSA-N 2 1 322.518 3.365 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000482125177 435455171 /nfs/dbraw/zinc/45/51/71/435455171.db2.gz JOBSYYIJISPJLV-RYRKJORJSA-N 2 1 322.518 3.365 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3CCN(C)C4)cc2)n1 ZINC000568659531 435458084 /nfs/dbraw/zinc/45/80/84/435458084.db2.gz CHKMLADTHZFKTI-AZUAARDMSA-N 2 1 324.472 3.158 20 0 DGADMP Cc1cc(C)n(-c2ccc(CN3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2)n1 ZINC000568659531 435458087 /nfs/dbraw/zinc/45/80/87/435458087.db2.gz CHKMLADTHZFKTI-AZUAARDMSA-N 2 1 324.472 3.158 20 0 DGADMP Cc1cc(C)n(-c2ccc(CN3[C@@H]4CC[C@H]3CC[N@H+](C)C4)cc2)n1 ZINC000568659531 435458093 /nfs/dbraw/zinc/45/80/93/435458093.db2.gz CHKMLADTHZFKTI-AZUAARDMSA-N 2 1 324.472 3.158 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000537939949 435476195 /nfs/dbraw/zinc/47/61/95/435476195.db2.gz MJRFVFMTVBLBKS-AOIWGVFYSA-N 2 1 324.472 3.428 20 0 DGADMP c1ccc(C(C[NH+]2CC[C@@H]3C[C@@H]3C2)C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000639861820 435439723 /nfs/dbraw/zinc/43/97/23/435439723.db2.gz VIOSKJBQWLULSF-UAFMIMERSA-N 2 1 310.485 3.454 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1OC ZINC000644411871 435440285 /nfs/dbraw/zinc/44/02/85/435440285.db2.gz FEQLCCYIJBEODP-LSDHHAIUSA-N 2 1 308.466 3.160 20 0 DGADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000514838366 435440830 /nfs/dbraw/zinc/44/08/30/435440830.db2.gz PYFUBQCACBAGMD-HXUWFJFHSA-N 2 1 319.537 3.390 20 0 DGADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000483471394 435519793 /nfs/dbraw/zinc/51/97/93/435519793.db2.gz JLMNMDZTTIQMSP-OALUTQOASA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483471394 435519796 /nfs/dbraw/zinc/51/97/96/435519796.db2.gz JLMNMDZTTIQMSP-OALUTQOASA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483471394 435519801 /nfs/dbraw/zinc/51/98/01/435519801.db2.gz JLMNMDZTTIQMSP-OALUTQOASA-N 2 1 316.489 3.488 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C2CCC2)CCC1 ZINC000644666607 435482746 /nfs/dbraw/zinc/48/27/46/435482746.db2.gz IOTWERXLAISVEW-IBGZPJMESA-N 2 1 316.489 3.039 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C2CCC2)CCC1 ZINC000644666607 435482750 /nfs/dbraw/zinc/48/27/50/435482750.db2.gz IOTWERXLAISVEW-IBGZPJMESA-N 2 1 316.489 3.039 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085604 435493421 /nfs/dbraw/zinc/49/34/21/435493421.db2.gz GUAZVRNVDXSDTG-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085604 435493426 /nfs/dbraw/zinc/49/34/26/435493426.db2.gz GUAZVRNVDXSDTG-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085604 435493430 /nfs/dbraw/zinc/49/34/30/435493430.db2.gz GUAZVRNVDXSDTG-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085604 435493436 /nfs/dbraw/zinc/49/34/36/435493436.db2.gz GUAZVRNVDXSDTG-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP CCC[NH+]1CCC(CNc2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645148494 435578576 /nfs/dbraw/zinc/57/85/76/435578576.db2.gz FYWLKDDWLVVSNX-UHFFFAOYSA-N 2 1 301.438 3.109 20 0 DGADMP CCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418065 435582807 /nfs/dbraw/zinc/58/28/07/435582807.db2.gz ZTKQEKORPKBSCL-CABCVRRESA-N 2 1 307.507 3.307 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CC[C@H](c4cccnc4)C3)cc2)cn1 ZINC000517234072 435584684 /nfs/dbraw/zinc/58/46/84/435584684.db2.gz QNRFJYRBRMFYPF-SFHVURJKSA-N 2 1 304.397 3.257 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H](c4cccnc4)C3)cc2)cn1 ZINC000517234071 435584728 /nfs/dbraw/zinc/58/47/28/435584728.db2.gz QNRFJYRBRMFYPF-GOSISDBHSA-N 2 1 304.397 3.257 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000569531311 435538820 /nfs/dbraw/zinc/53/88/20/435538820.db2.gz FABGTTAZDWMPHG-UHFFFAOYSA-N 2 1 300.393 3.452 20 0 DGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168077 435540309 /nfs/dbraw/zinc/54/03/09/435540309.db2.gz ABXXLFPEQQSNJS-SXLOBPIMSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168077 435540314 /nfs/dbraw/zinc/54/03/14/435540314.db2.gz ABXXLFPEQQSNJS-SXLOBPIMSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000569577177 435544290 /nfs/dbraw/zinc/54/42/90/435544290.db2.gz IZNDKJLHZQQNPL-BDAKNGLRSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1sccc1Br ZINC000570507650 435625824 /nfs/dbraw/zinc/62/58/24/435625824.db2.gz YJGQFUAYCCRJIR-VHSXEESVSA-N 2 1 303.269 3.303 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](c3nccn3C)C2)ccc1Cl ZINC000570579100 435632685 /nfs/dbraw/zinc/63/26/85/435632685.db2.gz BENWXCAJNCZVKU-ZDUSSCGKSA-N 2 1 305.809 3.072 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000540982251 435632770 /nfs/dbraw/zinc/63/27/70/435632770.db2.gz RWVAFCSPZLRNKR-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000540982251 435632775 /nfs/dbraw/zinc/63/27/75/435632775.db2.gz RWVAFCSPZLRNKR-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(CCC[N@@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640533483 435597164 /nfs/dbraw/zinc/59/71/64/435597164.db2.gz IVEBUAGDGBFLPH-UHFFFAOYSA-N 2 1 307.482 3.368 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000518514808 435642671 /nfs/dbraw/zinc/64/26/71/435642671.db2.gz ZJWKMOIKEHJVSF-MSOLQXFVSA-N 2 1 315.461 3.175 20 0 DGADMP COc1ccc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000649651940 435655590 /nfs/dbraw/zinc/65/55/90/435655590.db2.gz DMQHCYAQLYAPTJ-QGZVFWFLSA-N 2 1 317.477 3.144 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000518790635 435656139 /nfs/dbraw/zinc/65/61/39/435656139.db2.gz JKAVXPWTAKXFOZ-UHFFFAOYSA-N 2 1 313.445 3.144 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000519521407 435685939 /nfs/dbraw/zinc/68/59/39/435685939.db2.gz IHGWRXNNRRHPFE-PXNSSMCTSA-N 2 1 318.505 3.203 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571394869 435702610 /nfs/dbraw/zinc/70/26/10/435702610.db2.gz RQQUNTCNVGPCIW-JJRVBVJISA-N 2 1 309.885 3.192 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655702196 435737419 /nfs/dbraw/zinc/73/74/19/435737419.db2.gz ZGSGPEOTFIPLFA-VQIMIIECSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000655708771 435740095 /nfs/dbraw/zinc/74/00/95/435740095.db2.gz OHQCQGQQUXDYNB-NEWSRXKRSA-N 2 1 318.530 3.425 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000651491433 435743764 /nfs/dbraw/zinc/74/37/64/435743764.db2.gz LQABUGUVWDNZMC-GFCCVEGCSA-N 2 1 303.406 3.058 20 0 DGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655723594 435751656 /nfs/dbraw/zinc/75/16/56/435751656.db2.gz QDGPXDOFYFPSDT-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655775742 435789418 /nfs/dbraw/zinc/78/94/18/435789418.db2.gz CSORFKPXJPVIBI-KURKYZTESA-N 2 1 308.510 3.434 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655774687 435791402 /nfs/dbraw/zinc/79/14/02/435791402.db2.gz ZWXQZCJFXXMDOS-LMMKCTJWSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000655779541 435792446 /nfs/dbraw/zinc/79/24/46/435792446.db2.gz NGNJGNUVGNHMPY-RANZSIQMSA-N 2 1 304.503 3.206 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000655778111 435793047 /nfs/dbraw/zinc/79/30/47/435793047.db2.gz CKPIRUOAYPWHLE-UHOSZYNNSA-N 2 1 306.494 3.188 20 0 DGADMP CCn1cc(CNC[C@H]2CCC[N@@H+]2CC)c(-c2ccccc2)n1 ZINC000641703436 435793351 /nfs/dbraw/zinc/79/33/51/435793351.db2.gz SIBBPYNVDMRUFB-GOSISDBHSA-N 2 1 312.461 3.144 20 0 DGADMP CCn1cc(CNC[C@H]2CCC[N@H+]2CC)c(-c2ccccc2)n1 ZINC000641703436 435793358 /nfs/dbraw/zinc/79/33/58/435793358.db2.gz SIBBPYNVDMRUFB-GOSISDBHSA-N 2 1 312.461 3.144 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C\C[NH+](C)C)cc1 ZINC000491687101 435793851 /nfs/dbraw/zinc/79/38/51/435793851.db2.gz UOPZLHYETVCQFQ-IOBAAEILSA-N 2 1 315.461 3.117 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccccc2)n1 ZINC000641728727 435802059 /nfs/dbraw/zinc/80/20/59/435802059.db2.gz GQESDEBSXUETJF-MAUKXSAKSA-N 2 1 312.461 3.142 20 0 DGADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)n1 ZINC000641728728 435802833 /nfs/dbraw/zinc/80/28/33/435802833.db2.gz GQESDEBSXUETJF-QAPCUYQASA-N 2 1 312.461 3.142 20 0 DGADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551169738 435821673 /nfs/dbraw/zinc/82/16/73/435821673.db2.gz LDJCBFOVDGKISL-QZTJIDSGSA-N 2 1 304.478 3.474 20 0 DGADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551169738 435821681 /nfs/dbraw/zinc/82/16/81/435821681.db2.gz LDJCBFOVDGKISL-QZTJIDSGSA-N 2 1 304.478 3.474 20 0 DGADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000550606554 435806432 /nfs/dbraw/zinc/80/64/32/435806432.db2.gz XCPCNQBZDLATEU-RBUKOAKNSA-N 2 1 315.505 3.286 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000550817036 435811256 /nfs/dbraw/zinc/81/12/56/435811256.db2.gz HGZSLVHAJHSBST-GVDBMIGSSA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000550817036 435811263 /nfs/dbraw/zinc/81/12/63/435811263.db2.gz HGZSLVHAJHSBST-GVDBMIGSSA-N 2 1 312.498 3.207 20 0 DGADMP COCC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836308 435815441 /nfs/dbraw/zinc/81/54/41/435815441.db2.gz QQNKJMBVEVDUSB-IBGZPJMESA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1COc2ccccc2C1 ZINC000551004749 435815796 /nfs/dbraw/zinc/81/57/96/435815796.db2.gz FEPIVWCJJHNHPV-SJLPKXTDSA-N 2 1 302.462 3.234 20 0 DGADMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551029711 435820127 /nfs/dbraw/zinc/82/01/27/435820127.db2.gz PHOGMSPYESRCAB-ZCNNSNEGSA-N 2 1 317.521 3.388 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474616 435765065 /nfs/dbraw/zinc/76/50/65/435765065.db2.gz KLBMFSMYXHOFJI-INIZCTEOSA-N 2 1 322.880 3.335 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081806 435770277 /nfs/dbraw/zinc/77/02/77/435770277.db2.gz MWOQVOPEEIQBED-IBGZPJMESA-N 2 1 316.489 3.378 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000651668518 435784815 /nfs/dbraw/zinc/78/48/15/435784815.db2.gz OCFIEKXHBOHFBU-UHFFFAOYSA-N 2 1 314.477 3.167 20 0 DGADMP C[C@]1(CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000572123913 435785068 /nfs/dbraw/zinc/78/50/68/435785068.db2.gz ZLZCSKOSHXQXBO-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP CCSc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655770063 435787042 /nfs/dbraw/zinc/78/70/42/435787042.db2.gz XDJQGAUKGGYJSW-KRWDZBQOSA-N 2 1 320.502 3.142 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000572471403 435828385 /nfs/dbraw/zinc/82/83/85/435828385.db2.gz VPQSFHKETFEMQY-APWZRJJASA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000572471403 435828400 /nfs/dbraw/zinc/82/84/00/435828400.db2.gz VPQSFHKETFEMQY-APWZRJJASA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000572471403 435828404 /nfs/dbraw/zinc/82/84/04/435828404.db2.gz VPQSFHKETFEMQY-APWZRJJASA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551387056 435834894 /nfs/dbraw/zinc/83/48/94/435834894.db2.gz NIISTXAJQTWQMT-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1ccc(OCCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660654094 435842409 /nfs/dbraw/zinc/84/24/09/435842409.db2.gz CNGPNRDLMZZPCK-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664914072 435844487 /nfs/dbraw/zinc/84/44/87/435844487.db2.gz QCSZMEWSXGINLF-WOJBJXKFSA-N 2 1 312.457 3.220 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664914072 435844493 /nfs/dbraw/zinc/84/44/93/435844493.db2.gz QCSZMEWSXGINLF-WOJBJXKFSA-N 2 1 312.457 3.220 20 0 DGADMP C[C@H](CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC000660662352 435849180 /nfs/dbraw/zinc/84/91/80/435849180.db2.gz IRANSQQVTSZTEW-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000651865897 435851482 /nfs/dbraw/zinc/85/14/82/435851482.db2.gz LYAXBBROWXWJNA-UHFFFAOYSA-N 2 1 306.479 3.206 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000651865897 435851486 /nfs/dbraw/zinc/85/14/86/435851486.db2.gz LYAXBBROWXWJNA-UHFFFAOYSA-N 2 1 306.479 3.206 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651894431 435856039 /nfs/dbraw/zinc/85/60/39/435856039.db2.gz CYYXTUPHJIWRTH-XEYPJELSSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1cnccc1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679243 435856723 /nfs/dbraw/zinc/85/67/23/435856723.db2.gz KFGNIHZXPSJMLJ-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP CC[N@@H+](CCCN[C@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910336 435860492 /nfs/dbraw/zinc/86/04/92/435860492.db2.gz PUYNKTWUTCAAOT-HKUYNNGSSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910336 435860498 /nfs/dbraw/zinc/86/04/98/435860498.db2.gz PUYNKTWUTCAAOT-HKUYNNGSSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910336 435860509 /nfs/dbraw/zinc/86/05/09/435860509.db2.gz PUYNKTWUTCAAOT-HKUYNNGSSA-N 2 1 307.526 3.248 20 0 DGADMP Cc1ccccc1[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697391 435862125 /nfs/dbraw/zinc/86/21/25/435862125.db2.gz ZCFLEQLPGOOQOL-KRWDZBQOSA-N 2 1 304.478 3.129 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1cnc(N(C)C)s1)C1CCCCC1 ZINC000651909499 435863053 /nfs/dbraw/zinc/86/30/53/435863053.db2.gz MCXZVKYQJQCDJD-UHFFFAOYSA-N 2 1 324.538 3.343 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1cnc(N(C)C)s1)C1CCCCC1 ZINC000651909499 435863058 /nfs/dbraw/zinc/86/30/58/435863058.db2.gz MCXZVKYQJQCDJD-UHFFFAOYSA-N 2 1 324.538 3.343 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)noc2c1 ZINC000655941584 435864931 /nfs/dbraw/zinc/86/49/31/435864931.db2.gz XMZNFUIBYOKWIJ-CVEARBPZSA-N 2 1 313.445 3.082 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552048945 435877553 /nfs/dbraw/zinc/87/75/53/435877553.db2.gz DXIPFKFZMHNMTD-LSDHHAIUSA-N 2 1 322.493 3.263 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641797546 435825189 /nfs/dbraw/zinc/82/51/89/435825189.db2.gz FHSLKBWZORMJQO-GVDBMIGSSA-N 2 1 311.429 3.209 20 0 DGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000656194963 435909849 /nfs/dbraw/zinc/90/98/49/435909849.db2.gz VIYHJVMEZDONBG-VYDXJSESSA-N 2 1 318.461 3.419 20 0 DGADMP Fc1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cccc1OC1CC1 ZINC000665244228 435927223 /nfs/dbraw/zinc/92/72/23/435927223.db2.gz JIOGLVLJFPATHU-GVDBMIGSSA-N 2 1 318.436 3.377 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)cs1 ZINC000665247245 435928141 /nfs/dbraw/zinc/92/81/41/435928141.db2.gz YKLIXFIOHPCYTF-SECBINFHSA-N 2 1 303.269 3.433 20 0 DGADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254126 435931175 /nfs/dbraw/zinc/93/11/75/435931175.db2.gz IINUQAIFSIGXCJ-GDIGMMSISA-N 2 1 320.452 3.066 20 0 DGADMP COCc1csc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000665263217 435931901 /nfs/dbraw/zinc/93/19/01/435931901.db2.gz INWLMDBIKOREQF-SJLPKXTDSA-N 2 1 316.470 3.477 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258890 435932970 /nfs/dbraw/zinc/93/29/70/435932970.db2.gz OHVKZQBZYLHUNR-JCHJZTRSSA-N 2 1 320.452 3.066 20 0 DGADMP C1C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000665268889 435933867 /nfs/dbraw/zinc/93/38/67/435933867.db2.gz XJGSCCNMIBHSGA-IJXRJRJASA-N 2 1 319.537 3.294 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362798 435958442 /nfs/dbraw/zinc/95/84/42/435958442.db2.gz PWNNRGHFAQWMBA-BHIYHBOVSA-N 2 1 302.462 3.164 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)c1 ZINC000652361585 435958749 /nfs/dbraw/zinc/95/87/49/435958749.db2.gz KRANVGBMAOHJFQ-DFQSSKMNSA-N 2 1 316.489 3.473 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccsc3Cl)C2)C1 ZINC000650707952 435994442 /nfs/dbraw/zinc/99/44/42/435994442.db2.gz QKFXCEDGIJOOKJ-BNOWGMLFSA-N 2 1 314.882 3.120 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000650705746 435994681 /nfs/dbraw/zinc/99/46/81/435994681.db2.gz UJIRMNPUMIRAKU-DJIMGWMZSA-N 2 1 308.853 3.058 20 0 DGADMP Cc1ccsc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248549 435990167 /nfs/dbraw/zinc/99/01/67/435990167.db2.gz IKIDTMOKSKALOI-SJORKVTESA-N 2 1 300.471 3.492 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](c2ccccc2)C1 ZINC000647248567 435991394 /nfs/dbraw/zinc/99/13/94/435991394.db2.gz JEVSUIZYSXLBDM-SJORKVTESA-N 2 1 316.395 3.400 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](c2ccccc2)C1 ZINC000647248567 435991398 /nfs/dbraw/zinc/99/13/98/435991398.db2.gz JEVSUIZYSXLBDM-SJORKVTESA-N 2 1 316.395 3.400 20 0 DGADMP COCC1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647249213 435993682 /nfs/dbraw/zinc/99/36/82/435993682.db2.gz JPCUVUHNRQVEHB-MLFFRYNPSA-N 2 1 316.489 3.127 20 0 DGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347579 435955113 /nfs/dbraw/zinc/95/51/13/435955113.db2.gz DTTJMNZTNCZYNJ-LLDVTBCESA-N 2 1 306.425 3.105 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348395 435956140 /nfs/dbraw/zinc/95/61/40/435956140.db2.gz BZUWSDUMQCEDMQ-UFYCRDLUSA-N 2 1 316.489 3.146 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCOc1cccc(Cl)c1)C2 ZINC000652352002 435956218 /nfs/dbraw/zinc/95/62/18/435956218.db2.gz UCSWSIKWZUMYPR-YOEHRIQHSA-N 2 1 308.853 3.170 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC000650709394 435997862 /nfs/dbraw/zinc/99/78/62/435997862.db2.gz XWMQOLLEBQNUPX-LRDDRELGSA-N 2 1 319.499 3.432 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC000650709394 435997866 /nfs/dbraw/zinc/99/78/66/435997866.db2.gz XWMQOLLEBQNUPX-LRDDRELGSA-N 2 1 319.499 3.432 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)[C@H]1CC[NH3+] ZINC000650711333 435998579 /nfs/dbraw/zinc/99/85/79/435998579.db2.gz PYLPKWJTXRSZPB-FZMZJTMJSA-N 2 1 316.367 3.376 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647282982 436000400 /nfs/dbraw/zinc/00/04/00/436000400.db2.gz CLXARHVQLORUTR-IAGOWNOFSA-N 2 1 318.509 3.382 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000650715149 436000605 /nfs/dbraw/zinc/00/06/05/436000605.db2.gz RLXUFIKLLLEZSG-WDSOQIARSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647282984 436000890 /nfs/dbraw/zinc/00/08/90/436000890.db2.gz CLXARHVQLORUTR-SJORKVTESA-N 2 1 318.509 3.382 20 0 DGADMP CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718742 436004352 /nfs/dbraw/zinc/00/43/52/436004352.db2.gz VSAXBWQZPUZIGR-UHFFFAOYSA-N 2 1 302.393 3.361 20 0 DGADMP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722205 436006217 /nfs/dbraw/zinc/00/62/17/436006217.db2.gz NAQGICABXHCMKF-NXHRZFHOSA-N 2 1 320.502 3.269 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2sccc2Cl)C1 ZINC000650723342 436008889 /nfs/dbraw/zinc/00/88/89/436008889.db2.gz LUJXUBDQFQXKJX-MRVWCRGKSA-N 2 1 314.882 3.262 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC000650723832 436009402 /nfs/dbraw/zinc/00/94/02/436009402.db2.gz USDKYLJLHDPUAZ-AQNXPRMDSA-N 2 1 314.473 3.036 20 0 DGADMP c1ccc2c(c1)O[C@@H](CC[NH2+]C1CC[NH+](C3CC3)CC1)CS2 ZINC000647321384 436013884 /nfs/dbraw/zinc/01/38/84/436013884.db2.gz MNYJJFXXLYWYNX-INIZCTEOSA-N 2 1 318.486 3.146 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)cc1 ZINC000650754440 436019044 /nfs/dbraw/zinc/01/90/44/436019044.db2.gz JEFZFECCRJXNAN-QGZVFWFLSA-N 2 1 322.811 3.415 20 0 DGADMP COc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Cl ZINC000650754350 436019522 /nfs/dbraw/zinc/01/95/22/436019522.db2.gz HCMHMZKZXWQLEN-JTQLQIEISA-N 2 1 323.799 3.192 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000647336308 436022023 /nfs/dbraw/zinc/02/20/23/436022023.db2.gz UWCADYBXNKVPIT-CUDHKJQZSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000647336308 436022031 /nfs/dbraw/zinc/02/20/31/436022031.db2.gz UWCADYBXNKVPIT-CUDHKJQZSA-N 2 1 318.505 3.284 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1F ZINC000656782299 436043676 /nfs/dbraw/zinc/04/36/76/436043676.db2.gz DNYPHTKYMOCXCY-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784732 436045213 /nfs/dbraw/zinc/04/52/13/436045213.db2.gz GQJGASSWQQHODP-HNNXBMFYSA-N 2 1 324.415 3.500 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785561 436045253 /nfs/dbraw/zinc/04/52/53/436045253.db2.gz MEJZHXXOZYLRLT-MRXNPFEDSA-N 2 1 324.415 3.500 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCC1 ZINC000656788660 436048019 /nfs/dbraw/zinc/04/80/19/436048019.db2.gz WQZZRUPHZJKHRZ-UHFFFAOYSA-N 2 1 304.825 3.091 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCCC1 ZINC000656788124 436048187 /nfs/dbraw/zinc/04/81/87/436048187.db2.gz CNZAHODWRSRZTF-UHFFFAOYSA-N 2 1 304.768 3.303 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC000656792801 436049412 /nfs/dbraw/zinc/04/94/12/436049412.db2.gz XPPQDOISJSBYJQ-JTDSTZFVSA-N 2 1 302.462 3.047 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000650707285 435995845 /nfs/dbraw/zinc/99/58/45/435995845.db2.gz CEYIQHVQSXRVLL-GVDBMIGSSA-N 2 1 324.415 3.343 20 0 DGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705450 435995917 /nfs/dbraw/zinc/99/59/17/435995917.db2.gz HJCLITGGSLOJAD-JZXOWHBKSA-N 2 1 320.502 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000650706534 435996590 /nfs/dbraw/zinc/99/65/90/435996590.db2.gz MUNKJTPOPUHFHA-GGPKGHCWSA-N 2 1 314.473 3.282 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000650707286 435996620 /nfs/dbraw/zinc/99/66/20/435996620.db2.gz CEYIQHVQSXRVLL-ZACQAIPSSA-N 2 1 324.415 3.343 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708177 435996792 /nfs/dbraw/zinc/99/67/92/435996792.db2.gz UWPYKTKRZPTIPT-CGTJXYLNSA-N 2 1 322.880 3.367 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480117 436061721 /nfs/dbraw/zinc/06/17/21/436061721.db2.gz BLVLBIBBIREKKU-MJGOQNOKSA-N 2 1 324.472 3.349 20 0 DGADMP Cc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1Br ZINC000647482825 436062492 /nfs/dbraw/zinc/06/24/92/436062492.db2.gz BPZHDCFDFOGTLO-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647485602 436062830 /nfs/dbraw/zinc/06/28/30/436062830.db2.gz IEYDFUDJPJTOGP-DOTOQJQBSA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647485602 436062838 /nfs/dbraw/zinc/06/28/38/436062838.db2.gz IEYDFUDJPJTOGP-DOTOQJQBSA-N 2 1 320.477 3.304 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487582 436062990 /nfs/dbraw/zinc/06/29/90/436062990.db2.gz LWGXDVZPSGDYCC-STQMWFEESA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487582 436063003 /nfs/dbraw/zinc/06/30/03/436063003.db2.gz LWGXDVZPSGDYCC-STQMWFEESA-N 2 1 311.267 3.223 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497625 436064878 /nfs/dbraw/zinc/06/48/78/436064878.db2.gz NZTDEIPYYXBZPX-YOEHRIQHSA-N 2 1 304.482 3.027 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497625 436064883 /nfs/dbraw/zinc/06/48/83/436064883.db2.gz NZTDEIPYYXBZPX-YOEHRIQHSA-N 2 1 304.482 3.027 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000647497721 436065412 /nfs/dbraw/zinc/06/54/12/436065412.db2.gz SMEWBEZIVNSHBX-MJGOQNOKSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000647497721 436065418 /nfs/dbraw/zinc/06/54/18/436065418.db2.gz SMEWBEZIVNSHBX-MJGOQNOKSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498273 436065815 /nfs/dbraw/zinc/06/58/15/436065815.db2.gz DLFHSQDZHSERGY-WMLDXEAASA-N 2 1 321.896 3.499 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498273 436065820 /nfs/dbraw/zinc/06/58/20/436065820.db2.gz DLFHSQDZHSERGY-WMLDXEAASA-N 2 1 321.896 3.499 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000647498770 436065980 /nfs/dbraw/zinc/06/59/80/436065980.db2.gz QFUJYPVRLXMFRR-KUHUBIRLSA-N 2 1 313.420 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000647498770 436065981 /nfs/dbraw/zinc/06/59/81/436065981.db2.gz QFUJYPVRLXMFRR-KUHUBIRLSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647496565 436066222 /nfs/dbraw/zinc/06/62/22/436066222.db2.gz VMPZVPYHAAZYGF-CZUORRHYSA-N 2 1 324.428 3.002 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647496565 436066227 /nfs/dbraw/zinc/06/62/27/436066227.db2.gz VMPZVPYHAAZYGF-CZUORRHYSA-N 2 1 324.428 3.002 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cccc1OCC ZINC000647498809 436066240 /nfs/dbraw/zinc/06/62/40/436066240.db2.gz RGLMXRVERAGGJR-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cccc1OCC ZINC000647498809 436066248 /nfs/dbraw/zinc/06/62/48/436066248.db2.gz RGLMXRVERAGGJR-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498124 436066567 /nfs/dbraw/zinc/06/65/67/436066567.db2.gz AVXWNNRCBPAITQ-HOTGVXAUSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498124 436066571 /nfs/dbraw/zinc/06/65/71/436066571.db2.gz AVXWNNRCBPAITQ-HOTGVXAUSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498351 436066675 /nfs/dbraw/zinc/06/66/75/436066675.db2.gz FXPQVSWRKMZEOC-DLBZAZTESA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498351 436066679 /nfs/dbraw/zinc/06/66/79/436066679.db2.gz FXPQVSWRKMZEOC-DLBZAZTESA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000647498405 436066881 /nfs/dbraw/zinc/06/68/81/436066881.db2.gz GQJMYEXYGMGAEJ-WCQYABFASA-N 2 1 307.488 3.431 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000647498405 436066886 /nfs/dbraw/zinc/06/68/86/436066886.db2.gz GQJMYEXYGMGAEJ-WCQYABFASA-N 2 1 307.488 3.431 20 0 DGADMP CC[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498949 436067221 /nfs/dbraw/zinc/06/72/21/436067221.db2.gz UPYASDIFSFTEKC-OALUTQOASA-N 2 1 317.521 3.204 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000647509198 436068336 /nfs/dbraw/zinc/06/83/36/436068336.db2.gz TWFRBTOWTWALMH-YCPHGPKFSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000647536690 436076355 /nfs/dbraw/zinc/07/63/55/436076355.db2.gz WAHLKJOSQUEOCY-KSSFIOAISA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000647536690 436076360 /nfs/dbraw/zinc/07/63/60/436076360.db2.gz WAHLKJOSQUEOCY-KSSFIOAISA-N 2 1 306.450 3.043 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542952 436078008 /nfs/dbraw/zinc/07/80/08/436078008.db2.gz FDZCEHBWUXYRJP-LSDHHAIUSA-N 2 1 319.518 3.234 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)c1 ZINC000647543743 436078762 /nfs/dbraw/zinc/07/87/62/436078762.db2.gz RPHKJMOMKQGEQJ-RBUKOAKNSA-N 2 1 324.472 3.084 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549053 436080958 /nfs/dbraw/zinc/08/09/58/436080958.db2.gz GUHRMKDDOJRCOF-ZOWXZIJZSA-N 2 1 300.368 3.224 20 0 DGADMP COCc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544207 436081645 /nfs/dbraw/zinc/08/16/45/436081645.db2.gz YFDHINSPLYEMSH-RTBURBONSA-N 2 1 302.462 3.045 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2cccc(F)c2)cc1 ZINC000647801215 436126575 /nfs/dbraw/zinc/12/65/75/436126575.db2.gz RLWIFMKDKRWAHG-OALUTQOASA-N 2 1 314.404 3.374 20 0 DGADMP C[C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647844366 436131801 /nfs/dbraw/zinc/13/18/01/436131801.db2.gz LKTXJXRDJCVQAU-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000651189045 436133335 /nfs/dbraw/zinc/13/33/35/436133335.db2.gz VFSLVNCTWDBJJJ-KSZLIROESA-N 2 1 303.494 3.360 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000651189045 436133337 /nfs/dbraw/zinc/13/33/37/436133337.db2.gz VFSLVNCTWDBJJJ-KSZLIROESA-N 2 1 303.494 3.360 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657317560 436134182 /nfs/dbraw/zinc/13/41/82/436134182.db2.gz CGWMCYZVYHPNHM-UHFFFAOYSA-N 2 1 313.323 3.112 20 0 DGADMP CCC[N@H+]1CC[C@@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657325646 436137233 /nfs/dbraw/zinc/13/72/33/436137233.db2.gz OTDISPQYEBQMSJ-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657325646 436137237 /nfs/dbraw/zinc/13/72/37/436137237.db2.gz OTDISPQYEBQMSJ-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657325646 436137243 /nfs/dbraw/zinc/13/72/43/436137243.db2.gz OTDISPQYEBQMSJ-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000666079880 436139783 /nfs/dbraw/zinc/13/97/83/436139783.db2.gz DBPMLZOQOFOCAL-HNNXBMFYSA-N 2 1 304.865 3.414 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000666082855 436141051 /nfs/dbraw/zinc/14/10/51/436141051.db2.gz KBLUVGCDAXDEOJ-PMPSAXMXSA-N 2 1 304.865 3.414 20 0 DGADMP Clc1ccc(O[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647890695 436143123 /nfs/dbraw/zinc/14/31/23/436143123.db2.gz DZYKNXQNNPDJOT-YPMHNXCESA-N 2 1 315.244 3.056 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)[nH]n1 ZINC000651232954 436145112 /nfs/dbraw/zinc/14/51/12/436145112.db2.gz HEBNIQFWZFCKPI-AQNXPRMDSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)[nH]n1 ZINC000651232954 436145119 /nfs/dbraw/zinc/14/51/19/436145119.db2.gz HEBNIQFWZFCKPI-AQNXPRMDSA-N 2 1 324.472 3.251 20 0 DGADMP FCC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661689949 436146252 /nfs/dbraw/zinc/14/62/52/436146252.db2.gz MCDOBFKRVNIYNJ-QGZVFWFLSA-N 2 1 320.452 3.090 20 0 DGADMP FCC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661689949 436146259 /nfs/dbraw/zinc/14/62/59/436146259.db2.gz MCDOBFKRVNIYNJ-QGZVFWFLSA-N 2 1 320.452 3.090 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1[NH3+] ZINC000647936990 436151544 /nfs/dbraw/zinc/15/15/44/436151544.db2.gz PCKSFYPBCUSYPL-BLLLJJGKSA-N 2 1 303.381 3.040 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1[NH3+] ZINC000647936990 436151548 /nfs/dbraw/zinc/15/15/48/436151548.db2.gz PCKSFYPBCUSYPL-BLLLJJGKSA-N 2 1 303.381 3.040 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CNCc2nccn2C(C)C)c1 ZINC000657347515 436151875 /nfs/dbraw/zinc/15/18/75/436151875.db2.gz AADMGCCXXHPGGM-UHFFFAOYSA-N 2 1 300.450 3.206 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nccn2C(C)C)c1 ZINC000657347515 436151881 /nfs/dbraw/zinc/15/18/81/436151881.db2.gz AADMGCCXXHPGGM-UHFFFAOYSA-N 2 1 300.450 3.206 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nccn2C(C)C)c1 ZINC000657347515 436151886 /nfs/dbraw/zinc/15/18/86/436151886.db2.gz AADMGCCXXHPGGM-UHFFFAOYSA-N 2 1 300.450 3.206 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](CNCc2ccc(F)c(F)c2F)C1 ZINC000657348185 436152017 /nfs/dbraw/zinc/15/20/17/436152017.db2.gz NDWMSYJGGDZFTI-LBPRGKRZSA-N 2 1 300.368 3.314 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCC ZINC000653279478 436152008 /nfs/dbraw/zinc/15/20/08/436152008.db2.gz GZJFBUIFWSKNHN-ZBFHGGJFSA-N 2 1 306.450 3.186 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCC ZINC000653279478 436152013 /nfs/dbraw/zinc/15/20/13/436152013.db2.gz GZJFBUIFWSKNHN-ZBFHGGJFSA-N 2 1 306.450 3.186 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)s2)cc1 ZINC000653279622 436152301 /nfs/dbraw/zinc/15/23/01/436152301.db2.gz UQULDKYITQJWRH-ZFWWWQNUSA-N 2 1 301.459 3.430 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)s2)cc1 ZINC000653279622 436152306 /nfs/dbraw/zinc/15/23/06/436152306.db2.gz UQULDKYITQJWRH-ZFWWWQNUSA-N 2 1 301.459 3.430 20 0 DGADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn2c1CCC2 ZINC000657297620 436122410 /nfs/dbraw/zinc/12/24/10/436122410.db2.gz OZBRWFNKSZKTSF-UHFFFAOYSA-N 2 1 324.472 3.105 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CO1 ZINC000657374848 436166256 /nfs/dbraw/zinc/16/62/56/436166256.db2.gz SCQJTNMRZQHRJQ-LJIGWXMPSA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CO1 ZINC000657374848 436166259 /nfs/dbraw/zinc/16/62/59/436166259.db2.gz SCQJTNMRZQHRJQ-LJIGWXMPSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975748 436166870 /nfs/dbraw/zinc/16/68/70/436166870.db2.gz FLOIWHFERVXBHT-RBSFLKMASA-N 2 1 320.481 3.140 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372581 436162452 /nfs/dbraw/zinc/16/24/52/436162452.db2.gz WSNHQANAFBSFAC-MOPGFXCFSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372581 436162457 /nfs/dbraw/zinc/16/24/57/436162457.db2.gz WSNHQANAFBSFAC-MOPGFXCFSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968764 436165307 /nfs/dbraw/zinc/16/53/07/436165307.db2.gz WQTFHKJBKJNTMO-INIZCTEOSA-N 2 1 324.468 3.389 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968764 436165310 /nfs/dbraw/zinc/16/53/10/436165310.db2.gz WQTFHKJBKJNTMO-INIZCTEOSA-N 2 1 324.468 3.389 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968764 436165314 /nfs/dbraw/zinc/16/53/14/436165314.db2.gz WQTFHKJBKJNTMO-INIZCTEOSA-N 2 1 324.468 3.389 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968764 436165319 /nfs/dbraw/zinc/16/53/19/436165319.db2.gz WQTFHKJBKJNTMO-INIZCTEOSA-N 2 1 324.468 3.389 20 0 DGADMP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000647989546 436169254 /nfs/dbraw/zinc/16/92/54/436169254.db2.gz BRINDIPCWIVIJZ-VXGBXAGGSA-N 2 1 317.260 3.302 20 0 DGADMP Brc1ccccc1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647990193 436169429 /nfs/dbraw/zinc/16/94/29/436169429.db2.gz DYKFAHKXOXXQLN-ZDUSSCGKSA-N 2 1 323.278 3.238 20 0 DGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647989889 436170324 /nfs/dbraw/zinc/17/03/24/436170324.db2.gz BDIZFLDEARRWGJ-KRWDZBQOSA-N 2 1 304.482 3.210 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657387553 436173489 /nfs/dbraw/zinc/17/34/89/436173489.db2.gz WYSJXXYTRNAPDQ-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657387553 436173493 /nfs/dbraw/zinc/17/34/93/436173493.db2.gz WYSJXXYTRNAPDQ-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000666227999 436180386 /nfs/dbraw/zinc/18/03/86/436180386.db2.gz VBHZQLFPOHAUFJ-YOEHRIQHSA-N 2 1 308.416 3.327 20 0 DGADMP C[N@@H+](CCc1noc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000653559718 436203784 /nfs/dbraw/zinc/20/37/84/436203784.db2.gz PKSVIVLPROMTHA-OAHLLOKOSA-N 2 1 301.434 3.177 20 0 DGADMP C[N@H+](CCc1noc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000653559718 436203787 /nfs/dbraw/zinc/20/37/87/436203787.db2.gz PKSVIVLPROMTHA-OAHLLOKOSA-N 2 1 301.434 3.177 20 0 DGADMP C[NH+](CCc1noc2ccccc21)CC[C@H]1CCCC[N@@H+]1C ZINC000653559718 436203792 /nfs/dbraw/zinc/20/37/92/436203792.db2.gz PKSVIVLPROMTHA-OAHLLOKOSA-N 2 1 301.434 3.177 20 0 DGADMP C[NH+](CCc1noc2ccccc21)CC[C@H]1CCCC[N@H+]1C ZINC000653559718 436203798 /nfs/dbraw/zinc/20/37/98/436203798.db2.gz PKSVIVLPROMTHA-OAHLLOKOSA-N 2 1 301.434 3.177 20 0 DGADMP c1ccc2c(c1)onc2CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000653557965 436205074 /nfs/dbraw/zinc/20/50/74/436205074.db2.gz PXQORBDLHNCUGH-MRXNPFEDSA-N 2 1 313.445 3.321 20 0 DGADMP c1ccc2c(c1)onc2CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000653557965 436205077 /nfs/dbraw/zinc/20/50/77/436205077.db2.gz PXQORBDLHNCUGH-MRXNPFEDSA-N 2 1 313.445 3.321 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2noc3ccccc32)C1 ZINC000653561142 436207381 /nfs/dbraw/zinc/20/73/81/436207381.db2.gz VMINYCWPBLNKKQ-OAHLLOKOSA-N 2 1 301.434 3.034 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000653561142 436207386 /nfs/dbraw/zinc/20/73/86/436207386.db2.gz VMINYCWPBLNKKQ-OAHLLOKOSA-N 2 1 301.434 3.034 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653567928 436209187 /nfs/dbraw/zinc/20/91/87/436209187.db2.gz DVCFUYLEYIBEGC-KRWDZBQOSA-N 2 1 312.461 3.083 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCCc1c[nH+]cn1C ZINC000653567928 436209191 /nfs/dbraw/zinc/20/91/91/436209191.db2.gz DVCFUYLEYIBEGC-KRWDZBQOSA-N 2 1 312.461 3.083 20 0 DGADMP CC(C)O[C@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)c1ccccc1 ZINC000653590679 436217479 /nfs/dbraw/zinc/21/74/79/436217479.db2.gz VQSHJHWKYVBGDL-QZTJIDSGSA-N 2 1 313.445 3.376 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878921 436220323 /nfs/dbraw/zinc/22/03/23/436220323.db2.gz RZXYTJPKOGVLJP-ZWKOTPCHSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878921 436220325 /nfs/dbraw/zinc/22/03/25/436220325.db2.gz RZXYTJPKOGVLJP-ZWKOTPCHSA-N 2 1 305.466 3.253 20 0 DGADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C1CC1 ZINC000666834152 436288861 /nfs/dbraw/zinc/28/88/61/436288861.db2.gz JDOMETBVIIHWSZ-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751873 436296048 /nfs/dbraw/zinc/29/60/48/436296048.db2.gz UWZRFSFAKIKRMM-KRWDZBQOSA-N 2 1 322.880 3.300 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562249 436245815 /nfs/dbraw/zinc/24/58/15/436245815.db2.gz LTQWVJFPRHIIKQ-BHIYHBOVSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562249 436245818 /nfs/dbraw/zinc/24/58/18/436245818.db2.gz LTQWVJFPRHIIKQ-BHIYHBOVSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657562249 436245820 /nfs/dbraw/zinc/24/58/20/436245820.db2.gz LTQWVJFPRHIIKQ-BHIYHBOVSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657562249 436245823 /nfs/dbraw/zinc/24/58/23/436245823.db2.gz LTQWVJFPRHIIKQ-BHIYHBOVSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H](CSc1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000653776904 436262353 /nfs/dbraw/zinc/26/23/53/436262353.db2.gz RPAWMPUECOHZIT-HNNXBMFYSA-N 2 1 303.475 3.465 20 0 DGADMP C[C@@H](CSc1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000653776904 436262358 /nfs/dbraw/zinc/26/23/58/436262358.db2.gz RPAWMPUECOHZIT-HNNXBMFYSA-N 2 1 303.475 3.465 20 0 DGADMP C[C@@H](CSc1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653776904 436262360 /nfs/dbraw/zinc/26/23/60/436262360.db2.gz RPAWMPUECOHZIT-HNNXBMFYSA-N 2 1 303.475 3.465 20 0 DGADMP C[C@H](C[NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000666769034 436277289 /nfs/dbraw/zinc/27/72/89/436277289.db2.gz QQJYYEHQPONOMP-IUODEOHRSA-N 2 1 311.267 3.284 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769942 436278951 /nfs/dbraw/zinc/27/89/51/436278951.db2.gz IMQJHHSJYSYRPF-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769941 436279549 /nfs/dbraw/zinc/27/95/49/436279549.db2.gz IMQJHHSJYSYRPF-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H]([NH2+][C@H]1COC2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657967808 436347718 /nfs/dbraw/zinc/34/77/18/436347718.db2.gz SWSMLPPFMKGQGH-YTQUADARSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]([NH2+]C1CC(CF)(CF)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657968560 436348239 /nfs/dbraw/zinc/34/82/39/436348239.db2.gz BQYHTZMNFOLPJO-ZIAGYGMSSA-N 2 1 300.437 3.317 20 0 DGADMP c1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nsc2c1 ZINC000657770955 436300000 /nfs/dbraw/zinc/30/00/00/436300000.db2.gz VNHUCZBLVKGNOQ-UONOGXRCSA-N 2 1 301.459 3.055 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774417 436301225 /nfs/dbraw/zinc/30/12/25/436301225.db2.gz YQHPUNIPSIAVGQ-QXAKKESOSA-N 2 1 314.473 3.056 20 0 DGADMP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000657773600 436301402 /nfs/dbraw/zinc/30/14/02/436301402.db2.gz TXXWWIAWSVJFEE-IBGZPJMESA-N 2 1 309.457 3.407 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244678 436311821 /nfs/dbraw/zinc/31/18/21/436311821.db2.gz JOJYVDWRDMXEGW-RYUDHWBXSA-N 2 1 300.418 3.116 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244678 436311827 /nfs/dbraw/zinc/31/18/27/436311827.db2.gz JOJYVDWRDMXEGW-RYUDHWBXSA-N 2 1 300.418 3.116 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000662256358 436312594 /nfs/dbraw/zinc/31/25/94/436312594.db2.gz IPYZJENGTKULSL-IBGZPJMESA-N 2 1 314.473 3.256 20 0 DGADMP Fc1cccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662252534 436313354 /nfs/dbraw/zinc/31/33/54/436313354.db2.gz PVDHGDYCJSJBHY-GOSISDBHSA-N 2 1 318.436 3.091 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662257384 436315241 /nfs/dbraw/zinc/31/52/41/436315241.db2.gz NGOCFMJZQJNZLR-GOSISDBHSA-N 2 1 322.452 3.330 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)C[C@H]21 ZINC000662267160 436316017 /nfs/dbraw/zinc/31/60/17/436316017.db2.gz SSDAOEJBXWYDHJ-UXIGCNINSA-N 2 1 312.429 3.116 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C2CCCCC2)n1 ZINC000666996774 436322625 /nfs/dbraw/zinc/32/26/25/436322625.db2.gz FKSZRTASULAZHM-KRWDZBQOSA-N 2 1 316.493 3.232 20 0 DGADMP c1cc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662281186 436323764 /nfs/dbraw/zinc/32/37/64/436323764.db2.gz VRPSHVAHVVABOU-FQEVSTJZSA-N 2 1 314.473 3.113 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c2c(c1)C[NH2+]CC2 ZINC000662314880 436328700 /nfs/dbraw/zinc/32/87/00/436328700.db2.gz QBGDPCQMIVCVED-ICSRJNTNSA-N 2 1 314.473 3.113 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)[C@@H]1CCC[NH3+] ZINC000662317099 436329123 /nfs/dbraw/zinc/32/91/23/436329123.db2.gz ODEAKYRRKMUZDQ-GDBMZVCRSA-N 2 1 320.481 3.457 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)[C@@H]1CCC[NH3+] ZINC000662317099 436329125 /nfs/dbraw/zinc/32/91/25/436329125.db2.gz ODEAKYRRKMUZDQ-GDBMZVCRSA-N 2 1 320.481 3.457 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCc2noc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662317703 436329154 /nfs/dbraw/zinc/32/91/54/436329154.db2.gz ZRXXKBNLYFHYLX-RHSMWYFYSA-N 2 1 301.434 3.210 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H]1CCC[NH3+] ZINC000662312517 436329698 /nfs/dbraw/zinc/32/96/98/436329698.db2.gz HBGWJIALLKHVED-VQIMIIECSA-N 2 1 312.461 3.212 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662314144 436329717 /nfs/dbraw/zinc/32/97/17/436329717.db2.gz AIVYREREJLVGHI-VKJFTORMSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662314144 436329720 /nfs/dbraw/zinc/32/97/20/436329720.db2.gz AIVYREREJLVGHI-VKJFTORMSA-N 2 1 322.880 3.492 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662322498 436331701 /nfs/dbraw/zinc/33/17/01/436331701.db2.gz IFSDEQBQTUDCRV-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662322498 436331707 /nfs/dbraw/zinc/33/17/07/436331707.db2.gz IFSDEQBQTUDCRV-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000657889124 436333901 /nfs/dbraw/zinc/33/39/01/436333901.db2.gz OMDDSYCHRNJSPD-BFYDXBDKSA-N 2 1 320.502 3.432 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000657889124 436333906 /nfs/dbraw/zinc/33/39/06/436333906.db2.gz OMDDSYCHRNJSPD-BFYDXBDKSA-N 2 1 320.502 3.432 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658060293 436363595 /nfs/dbraw/zinc/36/35/95/436363595.db2.gz YPPLVCMWXLVXLF-BHIYHBOVSA-N 2 1 321.553 3.492 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000658069142 436364299 /nfs/dbraw/zinc/36/42/99/436364299.db2.gz MNGZSBSQXOBCEO-OAGGEKHMSA-N 2 1 321.896 3.239 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091059 436371594 /nfs/dbraw/zinc/37/15/94/436371594.db2.gz KOHOOGAEYGWICN-HOTGVXAUSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091059 436371596 /nfs/dbraw/zinc/37/15/96/436371596.db2.gz KOHOOGAEYGWICN-HOTGVXAUSA-N 2 1 317.477 3.175 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658092723 436371609 /nfs/dbraw/zinc/37/16/09/436371609.db2.gz RKKSUJQQLTZBQS-NEWSRXKRSA-N 2 1 321.553 3.492 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090038 436372139 /nfs/dbraw/zinc/37/21/39/436372139.db2.gz CZBWNMUUEFIUQY-CVEARBPZSA-N 2 1 318.461 3.371 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090038 436372144 /nfs/dbraw/zinc/37/21/44/436372144.db2.gz CZBWNMUUEFIUQY-CVEARBPZSA-N 2 1 318.461 3.371 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091640 436372304 /nfs/dbraw/zinc/37/23/04/436372304.db2.gz MUMZSSBATNAEJH-DOTOQJQBSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091640 436372308 /nfs/dbraw/zinc/37/23/08/436372308.db2.gz MUMZSSBATNAEJH-DOTOQJQBSA-N 2 1 317.477 3.175 20 0 DGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139420 436387349 /nfs/dbraw/zinc/38/73/49/436387349.db2.gz RJCDRTIQDSZCFU-SLFFLAALSA-N 2 1 316.489 3.312 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658161039 436391219 /nfs/dbraw/zinc/39/12/19/436391219.db2.gz IFZJKQNYODKQND-WNHJNPCNSA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658161036 436391516 /nfs/dbraw/zinc/39/15/16/436391516.db2.gz IFZJKQNYODKQND-NQYYFHDYSA-N 2 1 302.462 3.054 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658230361 436406547 /nfs/dbraw/zinc/40/65/47/436406547.db2.gz YQORJFWVNJOCFA-DOTOQJQBSA-N 2 1 317.477 3.018 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658230361 436406549 /nfs/dbraw/zinc/40/65/49/436406549.db2.gz YQORJFWVNJOCFA-DOTOQJQBSA-N 2 1 317.477 3.018 20 0 DGADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663343994 436442431 /nfs/dbraw/zinc/44/24/31/436442431.db2.gz LSDFLOYPFMXSCI-OAHLLOKOSA-N 2 1 308.491 3.106 20 0 DGADMP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CO2 ZINC000663346940 436442551 /nfs/dbraw/zinc/44/25/51/436442551.db2.gz YDHNHGZIAGSWBK-KRWDZBQOSA-N 2 1 312.457 3.174 20 0 DGADMP c1cc2cnccc2c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346524 436442836 /nfs/dbraw/zinc/44/28/36/436442836.db2.gz SYAZXYDVRMVECK-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663347315 436443350 /nfs/dbraw/zinc/44/33/50/436443350.db2.gz KDNXJLLWMPKAFX-MRXNPFEDSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663347315 436443354 /nfs/dbraw/zinc/44/33/54/436443354.db2.gz KDNXJLLWMPKAFX-MRXNPFEDSA-N 2 1 306.425 3.046 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663464968 436463787 /nfs/dbraw/zinc/46/37/87/436463787.db2.gz HPOGHRVFIAEMRT-HKUYNNGSSA-N 2 1 313.489 3.041 20 0 DGADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466353 436463909 /nfs/dbraw/zinc/46/39/09/436463909.db2.gz RMFCDRYHMSRIDG-OXQOHEQNSA-N 2 1 314.473 3.481 20 0 DGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466489 436464000 /nfs/dbraw/zinc/46/40/00/436464000.db2.gz UNQNSOASUASDAK-WBVHZDCISA-N 2 1 304.453 3.468 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCCC2 ZINC000663467707 436465080 /nfs/dbraw/zinc/46/50/80/436465080.db2.gz HIOUOVPMCNGCBU-CEXWTWQISA-N 2 1 320.521 3.436 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCCC2 ZINC000663467710 436465561 /nfs/dbraw/zinc/46/55/61/436465561.db2.gz HIOUOVPMCNGCBU-IPMKNSEASA-N 2 1 320.521 3.436 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000658251666 436411154 /nfs/dbraw/zinc/41/11/54/436411154.db2.gz GSUUIJJZMHGRJQ-YYIAUSFCSA-N 2 1 308.510 3.433 20 0 DGADMP c1ccc2c(CC[NH2+]C3CC[NH+](C4CC4)CC3)nsc2c1 ZINC000658315827 436427951 /nfs/dbraw/zinc/42/79/51/436427951.db2.gz WIIUNPWNQXPCDF-UHFFFAOYSA-N 2 1 301.459 3.055 20 0 DGADMP c1cc2c(cc[nH+]c2N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000663875802 436521458 /nfs/dbraw/zinc/52/14/58/436521458.db2.gz FWYXSUVPAKNHMJ-AWEZNQCLSA-N 2 1 321.428 3.480 20 0 DGADMP Cc1cc(CO)cc(NC2CCC([NH+]3CCC(C)CC3)CC2)[nH+]1 ZINC000663741437 436499381 /nfs/dbraw/zinc/49/93/81/436499381.db2.gz MEKAACMELOONBR-UHFFFAOYSA-N 2 1 317.477 3.337 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000660011027 436579062 /nfs/dbraw/zinc/57/90/62/436579062.db2.gz NFDMGKYMOVRGBD-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP COc1cccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000660011027 436579065 /nfs/dbraw/zinc/57/90/65/436579065.db2.gz NFDMGKYMOVRGBD-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000663940293 436530461 /nfs/dbraw/zinc/53/04/61/436530461.db2.gz XAIWLDMPGQBWMM-HNNXBMFYSA-N 2 1 313.367 3.331 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659876082 436553188 /nfs/dbraw/zinc/55/31/88/436553188.db2.gz ARYWDXYQHXHTHH-HDICACEKSA-N 2 1 309.542 3.017 20 0 DGADMP CC(C)[NH+](C)CC1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659876082 436553191 /nfs/dbraw/zinc/55/31/91/436553191.db2.gz ARYWDXYQHXHTHH-HDICACEKSA-N 2 1 309.542 3.017 20 0 DGADMP CC(C)[NH+](C)CC1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659876082 436553194 /nfs/dbraw/zinc/55/31/94/436553194.db2.gz ARYWDXYQHXHTHH-HDICACEKSA-N 2 1 309.542 3.017 20 0 DGADMP C[N@@H+](CCc1nsc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000659948115 436565034 /nfs/dbraw/zinc/56/50/34/436565034.db2.gz OCLYTOFINMXRCK-AWEZNQCLSA-N 2 1 303.475 3.112 20 0 DGADMP C[NH+](CCc1nsc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000659948115 436565037 /nfs/dbraw/zinc/56/50/37/436565037.db2.gz OCLYTOFINMXRCK-AWEZNQCLSA-N 2 1 303.475 3.112 20 0 DGADMP C[NH+](CCc1nsc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000659948115 436565040 /nfs/dbraw/zinc/56/50/40/436565040.db2.gz OCLYTOFINMXRCK-AWEZNQCLSA-N 2 1 303.475 3.112 20 0 DGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCSc1cccc(OC)c1 ZINC000659995572 436577227 /nfs/dbraw/zinc/57/72/27/436577227.db2.gz VBZRGZYQPVGQND-CVEARBPZSA-N 2 1 320.502 3.346 20 0 DGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCSc1cccc(OC)c1 ZINC000659995572 436577228 /nfs/dbraw/zinc/57/72/28/436577228.db2.gz VBZRGZYQPVGQND-CVEARBPZSA-N 2 1 320.502 3.346 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660157645 436597356 /nfs/dbraw/zinc/59/73/56/436597356.db2.gz VEAVHELMTIVXQL-QYZOEREBSA-N 2 1 321.553 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000660224128 436608585 /nfs/dbraw/zinc/60/85/85/436608585.db2.gz IWIDPQZOBGATQT-LPHOPBHVSA-N 2 1 322.468 3.096 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000660224128 436608587 /nfs/dbraw/zinc/60/85/87/436608587.db2.gz IWIDPQZOBGATQT-LPHOPBHVSA-N 2 1 322.468 3.096 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC2(C)C)c1 ZINC000530208430 313339420 /nfs/dbraw/zinc/33/94/20/313339420.db2.gz TUGXHBZFNSMGOM-SFHVURJKSA-N 2 1 302.462 3.120 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216978 313341719 /nfs/dbraw/zinc/34/17/19/313341719.db2.gz DVLPRNGKIGZBIR-KBXCAEBGSA-N 2 1 310.445 3.116 20 0 DGADMP FC(F)(F)c1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000530233745 313344460 /nfs/dbraw/zinc/34/44/60/313344460.db2.gz ZZPOAYYVGUTZCE-ZDUSSCGKSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000530355046 313360650 /nfs/dbraw/zinc/36/06/50/313360650.db2.gz ZEZLWCVXFUZXSV-NSHDSACASA-N 2 1 312.244 3.490 20 0 DGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530460325 313372498 /nfs/dbraw/zinc/37/24/98/313372498.db2.gz LFMQEHDLDISPMW-LBPRGKRZSA-N 2 1 307.825 3.366 20 0 DGADMP C([NH2+][C@H]1CCC[C@@H]1C1CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000538116913 313847265 /nfs/dbraw/zinc/84/72/65/313847265.db2.gz QZSOHSPDJJMRPO-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000541579011 314024587 /nfs/dbraw/zinc/02/45/87/314024587.db2.gz YVSBOCHPCVGCEH-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](O)[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000542819920 314101073 /nfs/dbraw/zinc/10/10/73/314101073.db2.gz NWTBTEXQXUGPAG-MJGOQNOKSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H](C)C1 ZINC000543424274 314132964 /nfs/dbraw/zinc/13/29/64/314132964.db2.gz QHIUKDLQRBLBIK-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000543604022 314144574 /nfs/dbraw/zinc/14/45/74/314144574.db2.gz YBELQPWCCRYCSV-KRWDZBQOSA-N 2 1 310.869 3.275 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC(C)CC1 ZINC000543944625 314165523 /nfs/dbraw/zinc/16/55/23/314165523.db2.gz OOPOCLUOMRITFA-ZLJKYQPZSA-N 2 1 318.505 3.375 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CCC2)cc1 ZINC000544373851 314188615 /nfs/dbraw/zinc/18/86/15/314188615.db2.gz UKIMCCQDAAMGFZ-FRQCXROJSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000545310338 314243821 /nfs/dbraw/zinc/24/38/21/314243821.db2.gz LDTZXWYJTUGERS-QXCFHYIPSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000545310338 314243823 /nfs/dbraw/zinc/24/38/23/314243823.db2.gz LDTZXWYJTUGERS-QXCFHYIPSA-N 2 1 316.489 3.300 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CC[N@H+](C)C2CCCC2)cc1F ZINC000546336642 314301705 /nfs/dbraw/zinc/30/17/05/314301705.db2.gz KKRGJXDADSOIAK-HNNXBMFYSA-N 2 1 322.468 3.477 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CC[N@@H+](C)C2CCCC2)cc1F ZINC000546336642 314301709 /nfs/dbraw/zinc/30/17/09/314301709.db2.gz KKRGJXDADSOIAK-HNNXBMFYSA-N 2 1 322.468 3.477 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c(OC)c1 ZINC000546932893 314337128 /nfs/dbraw/zinc/33/71/28/314337128.db2.gz POFBGMOKFXUURN-HNNXBMFYSA-N 2 1 320.477 3.476 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552048944 314592678 /nfs/dbraw/zinc/59/26/78/314592678.db2.gz DXIPFKFZMHNMTD-HUUCEWRRSA-N 2 1 322.493 3.263 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000555511921 314726043 /nfs/dbraw/zinc/72/60/43/314726043.db2.gz YTBCERXXPVPCCG-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP COc1cc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1SC ZINC000562478484 315022833 /nfs/dbraw/zinc/02/28/33/315022833.db2.gz LBFRVIOZTYLIBV-LSDHHAIUSA-N 2 1 306.475 3.086 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000562988170 315067769 /nfs/dbraw/zinc/06/77/69/315067769.db2.gz MLMLHIGWCUMEHI-GGPKGHCWSA-N 2 1 318.505 3.253 20 0 DGADMP CCC[N@H+](Cc1cnc(-c2ccccc2)nc1)C1CC[NH2+]CC1 ZINC000563130340 315082075 /nfs/dbraw/zinc/08/20/75/315082075.db2.gz VNFKMODHENSMTG-UHFFFAOYSA-N 2 1 310.445 3.108 20 0 DGADMP CCC[N@@H+](Cc1cnc(-c2ccccc2)nc1)C1CC[NH2+]CC1 ZINC000563130340 315082077 /nfs/dbraw/zinc/08/20/77/315082077.db2.gz VNFKMODHENSMTG-UHFFFAOYSA-N 2 1 310.445 3.108 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000563352301 315105722 /nfs/dbraw/zinc/10/57/22/315105722.db2.gz BVPUVAMLXNKREJ-AWEZNQCLSA-N 2 1 317.433 3.111 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000563425697 315113944 /nfs/dbraw/zinc/11/39/44/315113944.db2.gz QETDFFULANIGGD-BHIYHBOVSA-N 2 1 323.440 3.226 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000563425700 315114220 /nfs/dbraw/zinc/11/42/20/315114220.db2.gz QETDFFULANIGGD-QRQLOZEOSA-N 2 1 323.440 3.226 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000564211062 315162713 /nfs/dbraw/zinc/16/27/13/315162713.db2.gz OKHGBSIULSEUAJ-LSDHHAIUSA-N 2 1 315.486 3.475 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)nc1 ZINC000564973441 315216543 /nfs/dbraw/zinc/21/65/43/315216543.db2.gz AMNDWQIDQPOJNJ-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)C[C@H]21 ZINC000564987653 315217316 /nfs/dbraw/zinc/21/73/16/315217316.db2.gz CBGGRJSEGYYBEE-BHIYHBOVSA-N 2 1 310.441 3.278 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[C@H]([NH+]3CCCC3)C2)c2ccccn21 ZINC000565080796 315227647 /nfs/dbraw/zinc/22/76/47/315227647.db2.gz FEUCHJBKYNQKDH-INIZCTEOSA-N 2 1 312.461 3.128 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000565437700 315261737 /nfs/dbraw/zinc/26/17/37/315261737.db2.gz YCLUJTJOEVLILC-QZTJIDSGSA-N 2 1 300.446 3.084 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000565500031 315266269 /nfs/dbraw/zinc/26/62/69/315266269.db2.gz MGRBRPQNIZRZDJ-LAUBAEHRSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1Cc1ccccc1 ZINC000565500031 315266271 /nfs/dbraw/zinc/26/62/71/315266271.db2.gz MGRBRPQNIZRZDJ-LAUBAEHRSA-N 2 1 324.468 3.322 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccncc2C)CC1 ZINC000565697294 315280489 /nfs/dbraw/zinc/28/04/89/315280489.db2.gz KYMSPPSNPKAMPK-UHFFFAOYSA-N 2 1 309.457 3.453 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccoc1 ZINC000565710239 315281565 /nfs/dbraw/zinc/28/15/65/315281565.db2.gz ZRSWHHPGEUNAEV-QANKJYHBSA-N 2 1 302.393 3.463 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCN(C)c1ccccc1 ZINC000565830983 315290618 /nfs/dbraw/zinc/29/06/18/315290618.db2.gz NTJMLKFFEQTBNA-UHFFFAOYSA-N 2 1 300.450 3.040 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCN(C)c1ccccc1 ZINC000565830983 315290620 /nfs/dbraw/zinc/29/06/20/315290620.db2.gz NTJMLKFFEQTBNA-UHFFFAOYSA-N 2 1 300.450 3.040 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000565902636 315296469 /nfs/dbraw/zinc/29/64/69/315296469.db2.gz ADKAFDWZQYSIJL-BXUZGUMPSA-N 2 1 311.267 3.330 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000565962848 315300793 /nfs/dbraw/zinc/30/07/93/315300793.db2.gz XCAGZRYVCPLBPY-HZPDHXFCSA-N 2 1 314.477 3.442 20 0 DGADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000565998000 315303462 /nfs/dbraw/zinc/30/34/62/315303462.db2.gz VQQVJMMOJMASBO-IRWQIABSSA-N 2 1 313.445 3.305 20 0 DGADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000565998002 315303654 /nfs/dbraw/zinc/30/36/54/315303654.db2.gz VQQVJMMOJMASBO-SOVGHPHASA-N 2 1 313.445 3.305 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CCCCCC1 ZINC000566087878 315311220 /nfs/dbraw/zinc/31/12/20/315311220.db2.gz AGQQGBPWLYUPQK-IBGZPJMESA-N 2 1 324.472 3.402 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000566170927 315319465 /nfs/dbraw/zinc/31/94/65/315319465.db2.gz WCJOXJANHBYVQQ-FUHWJXTLSA-N 3 1 301.478 3.175 20 0 DGADMP COc1cc(C[N@@H+](C)CCC[NH3+])c(-c2ccccc2)cc1OC ZINC000566225749 315324048 /nfs/dbraw/zinc/32/40/48/315324048.db2.gz KBFMZQRGPQMXSB-UHFFFAOYSA-N 2 1 314.429 3.151 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000566975740 315387524 /nfs/dbraw/zinc/38/75/24/315387524.db2.gz IWKHGWGRXQRIED-PMPSAXMXSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000566975740 315387526 /nfs/dbraw/zinc/38/75/26/315387526.db2.gz IWKHGWGRXQRIED-PMPSAXMXSA-N 2 1 313.445 3.455 20 0 DGADMP C[NH+]1CCC([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000572703911 315811209 /nfs/dbraw/zinc/81/12/09/315811209.db2.gz WXYKWQMKEIDYPJ-HNNXBMFYSA-N 2 1 300.368 3.406 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000573952469 315917210 /nfs/dbraw/zinc/91/72/10/315917210.db2.gz JHIBJJRXJXLOLS-GJZGRUSLSA-N 2 1 324.852 3.251 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000574796960 316001601 /nfs/dbraw/zinc/00/16/01/316001601.db2.gz NOSVGMSNLNRIGX-CYBMUJFWSA-N 2 1 305.447 3.223 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000574796960 316001603 /nfs/dbraw/zinc/00/16/03/316001603.db2.gz NOSVGMSNLNRIGX-CYBMUJFWSA-N 2 1 305.447 3.223 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1CNC[C@H]1CCC[N@H+](C)C1 ZINC000576003710 316085914 /nfs/dbraw/zinc/08/59/14/316085914.db2.gz YQBDYIDYECSNEM-CYBMUJFWSA-N 2 1 318.490 3.013 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000576003710 316085916 /nfs/dbraw/zinc/08/59/16/316085916.db2.gz YQBDYIDYECSNEM-CYBMUJFWSA-N 2 1 318.490 3.013 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000576788224 316167596 /nfs/dbraw/zinc/16/75/96/316167596.db2.gz PNRPWMGCPRYHOY-QGZVFWFLSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc2nc(CNC[C@@H]3CC[N@H+](C(C)C)C3)sc2c1 ZINC000576789564 316167830 /nfs/dbraw/zinc/16/78/30/316167830.db2.gz MDLRTSNKABLFGO-ZDUSSCGKSA-N 2 1 319.474 3.125 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000576870555 316176786 /nfs/dbraw/zinc/17/67/86/316176786.db2.gz ZTXOOGZVUKJLPL-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000576870555 316176790 /nfs/dbraw/zinc/17/67/90/316176790.db2.gz ZTXOOGZVUKJLPL-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP COc1cccc2c1CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000577048246 316195907 /nfs/dbraw/zinc/19/59/07/316195907.db2.gz MXSCHYMTMGRNMK-BZSNNMDCSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000577048246 316195909 /nfs/dbraw/zinc/19/59/09/316195909.db2.gz MXSCHYMTMGRNMK-BZSNNMDCSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000577363339 316228282 /nfs/dbraw/zinc/22/82/82/316228282.db2.gz NGSMOJKUTAPVEM-DOTOQJQBSA-N 2 1 317.477 3.080 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000577739741 316266779 /nfs/dbraw/zinc/26/67/79/316266779.db2.gz IWGCOUIHAVVXJT-CHWSQXEVSA-N 2 1 314.376 3.046 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000577795600 316270854 /nfs/dbraw/zinc/27/08/54/316270854.db2.gz MZLFOCNZPYRAAB-TWMKSMIVSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000577795600 316270855 /nfs/dbraw/zinc/27/08/55/316270855.db2.gz MZLFOCNZPYRAAB-TWMKSMIVSA-N 2 1 312.498 3.064 20 0 DGADMP COCC[N@@H+](CCCc1ccccc1)Cc1cccc2nccn21 ZINC000179881999 323216139 /nfs/dbraw/zinc/21/61/39/323216139.db2.gz CIEBAMCHJABFCZ-UHFFFAOYSA-N 2 1 323.440 3.416 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000181834824 323271777 /nfs/dbraw/zinc/27/17/77/323271777.db2.gz WHLNOKTVLLTSGA-ROUUACIJSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000181834824 323271780 /nfs/dbraw/zinc/27/17/80/323271780.db2.gz WHLNOKTVLLTSGA-ROUUACIJSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000181989777 323278672 /nfs/dbraw/zinc/27/86/72/323278672.db2.gz FXUVPGHHNGTCGW-LPHOPBHVSA-N 2 1 318.461 3.229 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182271120 323290375 /nfs/dbraw/zinc/29/03/75/323290375.db2.gz JNZUDTFBADZSPB-PXNSSMCTSA-N 2 1 316.489 3.478 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H](C)[NH+]2CCCCC2)o1 ZINC000184331244 323362075 /nfs/dbraw/zinc/36/20/75/323362075.db2.gz DXWQQZGJGCLPQO-AWEZNQCLSA-N 2 1 316.449 3.332 20 0 DGADMP C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731024 323394206 /nfs/dbraw/zinc/39/42/06/323394206.db2.gz MWLVUDOARLGVRZ-HZPDHXFCSA-N 2 1 324.509 3.351 20 0 DGADMP C[C@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764259 323395023 /nfs/dbraw/zinc/39/50/23/323395023.db2.gz HZENYZAHEZWNHO-ZWKOTPCHSA-N 2 1 315.505 3.365 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000394702505 323676090 /nfs/dbraw/zinc/67/60/90/323676090.db2.gz JRSRGHVBGXOQQU-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000578433857 323731728 /nfs/dbraw/zinc/73/17/28/323731728.db2.gz MYEXSVSIJIKWED-ARFHVFGLSA-N 2 1 305.466 3.336 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000580208393 323972372 /nfs/dbraw/zinc/97/23/72/323972372.db2.gz BFXHVUVKNHDGOJ-IRXDYDNUSA-N 2 1 319.836 3.126 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000580498989 324003883 /nfs/dbraw/zinc/00/38/83/324003883.db2.gz IYFKSFLEQQHVTC-CQSZACIVSA-N 2 1 301.409 3.194 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CCOCC3)C2)s1 ZINC000580571238 324014175 /nfs/dbraw/zinc/01/41/75/324014175.db2.gz CMMOWALHGIFWPC-QGZVFWFLSA-N 2 1 322.518 3.237 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000581913828 324167314 /nfs/dbraw/zinc/16/73/14/324167314.db2.gz BLDAQLJSKDMUIH-IKGGRYGDSA-N 2 1 310.869 3.490 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000582195654 324202189 /nfs/dbraw/zinc/20/21/89/324202189.db2.gz MSPGHCSZFXMWLC-UFYCRDLUSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000582195654 324202193 /nfs/dbraw/zinc/20/21/93/324202193.db2.gz MSPGHCSZFXMWLC-UFYCRDLUSA-N 2 1 322.452 3.415 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000582546186 324243583 /nfs/dbraw/zinc/24/35/83/324243583.db2.gz FKKORWPUDFGYDK-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000582546186 324243588 /nfs/dbraw/zinc/24/35/88/324243588.db2.gz FKKORWPUDFGYDK-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP COc1cccc2c1CCC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000583011654 324302505 /nfs/dbraw/zinc/30/25/05/324302505.db2.gz BBUXHXTUQONEOK-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(N2CCCC2)c1 ZINC000583329962 324340130 /nfs/dbraw/zinc/34/01/30/324340130.db2.gz HVYWLARWTOJZQR-MRXNPFEDSA-N 2 1 312.461 3.304 20 0 DGADMP C=Cn1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000583421164 324351773 /nfs/dbraw/zinc/35/17/73/324351773.db2.gz KTCYZDZXILJSBR-PKOBYXMFSA-N 2 1 324.472 3.374 20 0 DGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C)c1OC(F)F ZINC000583720179 324388341 /nfs/dbraw/zinc/38/83/41/324388341.db2.gz VXOKOBUVVVWWON-UHFFFAOYSA-N 2 1 300.393 3.288 20 0 DGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C)c1OC(F)F ZINC000583720179 324388344 /nfs/dbraw/zinc/38/83/44/324388344.db2.gz VXOKOBUVVVWWON-UHFFFAOYSA-N 2 1 300.393 3.288 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000584270391 332178106 /nfs/dbraw/zinc/17/81/06/332178106.db2.gz ZDJQWCSHSIXGJZ-QGZVFWFLSA-N 2 1 324.896 3.402 20 0 DGADMP CCc1ccc([C@H]2CCCCCN2C[C@H](O)C[N@H+](C)CC)o1 ZINC000584389074 337247530 /nfs/dbraw/zinc/24/75/30/337247530.db2.gz KQOJIEGSVNKGHW-NVXWUHKLSA-N 2 1 308.466 3.072 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CN(C)CC)o1 ZINC000584389074 337247531 /nfs/dbraw/zinc/24/75/31/337247531.db2.gz KQOJIEGSVNKGHW-NVXWUHKLSA-N 2 1 308.466 3.072 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)CN(C)CC)o1 ZINC000584389074 337247532 /nfs/dbraw/zinc/24/75/32/337247532.db2.gz KQOJIEGSVNKGHW-NVXWUHKLSA-N 2 1 308.466 3.072 20 0 DGADMP CCc1ccc([C@H]2CCCCCN2C[C@@H](O)C[N@H+](C)CC)o1 ZINC000584389073 337247639 /nfs/dbraw/zinc/24/76/39/337247639.db2.gz KQOJIEGSVNKGHW-DOTOQJQBSA-N 2 1 308.466 3.072 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CN(C)CC)o1 ZINC000584389073 337247640 /nfs/dbraw/zinc/24/76/40/337247640.db2.gz KQOJIEGSVNKGHW-DOTOQJQBSA-N 2 1 308.466 3.072 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)CN(C)CC)o1 ZINC000584389073 337247641 /nfs/dbraw/zinc/24/76/41/337247641.db2.gz KQOJIEGSVNKGHW-DOTOQJQBSA-N 2 1 308.466 3.072 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437327 337325066 /nfs/dbraw/zinc/32/50/66/337325066.db2.gz DHTOCRUHOBXNOJ-SUMWQHHRSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437327 337325067 /nfs/dbraw/zinc/32/50/67/337325067.db2.gz DHTOCRUHOBXNOJ-SUMWQHHRSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437327 337325068 /nfs/dbraw/zinc/32/50/68/337325068.db2.gz DHTOCRUHOBXNOJ-SUMWQHHRSA-N 2 1 302.393 3.488 20 0 DGADMP COc1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000297395372 533767286 /nfs/dbraw/zinc/76/72/86/533767286.db2.gz JVMSGTMNDJOPPM-UHFFFAOYSA-N 2 1 308.853 3.108 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000442755139 533845009 /nfs/dbraw/zinc/84/50/09/533845009.db2.gz BYHFSWVNBNRFKT-NVXWUHKLSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H]([NH2+]CCCCOCCc1ccccc1)c1c[nH+]ccc1N ZINC000422720669 533844107 /nfs/dbraw/zinc/84/41/07/533844107.db2.gz MRMJJEDRBOQZSH-INIZCTEOSA-N 2 1 313.445 3.184 20 0 DGADMP C[C@H](CCNC1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000297598839 533940360 /nfs/dbraw/zinc/94/03/60/533940360.db2.gz JUISQCCWOJEOFO-QGZVFWFLSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415051677 533946272 /nfs/dbraw/zinc/94/62/72/533946272.db2.gz MKQJTKJCHYNACV-JFDVKVQISA-N 2 1 300.446 3.172 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415086752 533992197 /nfs/dbraw/zinc/99/21/97/533992197.db2.gz KEQDWEUTKRECTK-AGIUHOORSA-N 2 1 310.413 3.024 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737318 534070598 /nfs/dbraw/zinc/07/05/98/534070598.db2.gz HDFVISDWNKUKQL-QWQRMKEZSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737318 534070603 /nfs/dbraw/zinc/07/06/03/534070603.db2.gz HDFVISDWNKUKQL-QWQRMKEZSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737318 534070607 /nfs/dbraw/zinc/07/06/07/534070607.db2.gz HDFVISDWNKUKQL-QWQRMKEZSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000442758305 534080651 /nfs/dbraw/zinc/08/06/51/534080651.db2.gz ADTDDKJCUQYXRO-RDJZCZTQSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)O1 ZINC000309700450 534243051 /nfs/dbraw/zinc/24/30/51/534243051.db2.gz FVIYPBYOXPEEMU-MTEHYEEQSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781927 534365943 /nfs/dbraw/zinc/36/59/43/534365943.db2.gz OYURANIOECNBST-WCQYABFASA-N 2 1 319.836 3.473 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781927 534365950 /nfs/dbraw/zinc/36/59/50/534365950.db2.gz OYURANIOECNBST-WCQYABFASA-N 2 1 319.836 3.473 20 0 DGADMP Fc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415042943 534450626 /nfs/dbraw/zinc/45/06/26/534450626.db2.gz QYEMVUNIRSKLAI-OAHLLOKOSA-N 2 1 320.433 3.022 20 0 DGADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000415079354 534525274 /nfs/dbraw/zinc/52/52/74/534525274.db2.gz JYVLJILJIQYGBI-MRXNPFEDSA-N 2 1 315.392 3.245 20 0 DGADMP Fc1cccc(Oc2ncccc2C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000415082312 534526139 /nfs/dbraw/zinc/52/61/39/534526139.db2.gz OCSVOQHTXOOBHJ-CQSZACIVSA-N 2 1 315.392 3.102 20 0 DGADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415085288 534535618 /nfs/dbraw/zinc/53/56/18/534535618.db2.gz PTWOWLVCRCNQMP-MJGOQNOKSA-N 2 1 320.440 3.119 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000154449090 521679862 /nfs/dbraw/zinc/67/98/62/521679862.db2.gz DBIZZJDQVANWQT-MRXNPFEDSA-N 2 1 309.523 3.125 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2sccc2C)CC1 ZINC000154485260 521680063 /nfs/dbraw/zinc/68/00/63/521680063.db2.gz WSTUPDTYYMQNAD-MRXNPFEDSA-N 2 1 309.523 3.125 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000154485150 521680318 /nfs/dbraw/zinc/68/03/18/521680318.db2.gz WSTUPDTYYMQNAD-INIZCTEOSA-N 2 1 309.523 3.125 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428042874 534631341 /nfs/dbraw/zinc/63/13/41/534631341.db2.gz DRLNFCSVMFUVFA-IAQYHMDHSA-N 2 1 315.244 3.056 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428042874 534631344 /nfs/dbraw/zinc/63/13/44/534631344.db2.gz DRLNFCSVMFUVFA-IAQYHMDHSA-N 2 1 315.244 3.056 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000442931529 534653514 /nfs/dbraw/zinc/65/35/14/534653514.db2.gz VZLSHZPPVZKAMA-GFCCVEGCSA-N 2 1 307.488 3.432 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000443070961 534654741 /nfs/dbraw/zinc/65/47/41/534654741.db2.gz LXZKODYUGFAHIY-GFCCVEGCSA-N 2 1 321.371 3.181 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@H+]1C ZINC000157422452 524923453 /nfs/dbraw/zinc/92/34/53/524923453.db2.gz ZWYPRKGSDYFVJB-GXTWGEPZSA-N 2 1 303.837 3.461 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@@H+]1C ZINC000156100612 525441690 /nfs/dbraw/zinc/44/16/90/525441690.db2.gz SWMCHSOBBPUDEN-SJLPKXTDSA-N 2 1 316.493 3.034 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@H+]1C ZINC000156100612 525441699 /nfs/dbraw/zinc/44/16/99/525441699.db2.gz SWMCHSOBBPUDEN-SJLPKXTDSA-N 2 1 316.493 3.034 20 0 DGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415039574 526878639 /nfs/dbraw/zinc/87/86/39/526878639.db2.gz JFAWVPGUYACXDN-DZGCQCFKSA-N 2 1 307.507 3.405 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415039574 526878644 /nfs/dbraw/zinc/87/86/44/526878644.db2.gz JFAWVPGUYACXDN-DZGCQCFKSA-N 2 1 307.507 3.405 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2CC2CCCCC2)n1 ZINC000431101422 527259842 /nfs/dbraw/zinc/25/98/42/527259842.db2.gz OMXOZABLPCOOTR-AWEZNQCLSA-N 2 1 306.454 3.198 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000428452477 527711979 /nfs/dbraw/zinc/71/19/79/527711979.db2.gz BUZFOAGBOOWKOA-PKOBYXMFSA-N 2 1 313.489 3.203 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430116246 528151698 /nfs/dbraw/zinc/15/16/98/528151698.db2.gz BDIJBXMLRPMAKG-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430116246 528151708 /nfs/dbraw/zinc/15/17/08/528151708.db2.gz BDIJBXMLRPMAKG-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430116246 528151715 /nfs/dbraw/zinc/15/17/15/528151715.db2.gz BDIJBXMLRPMAKG-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430116246 528151725 /nfs/dbraw/zinc/15/17/25/528151725.db2.gz BDIJBXMLRPMAKG-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CCCCCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000435382004 528233390 /nfs/dbraw/zinc/23/33/90/528233390.db2.gz WWDZUKOGBKFNQD-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCCCCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000435382004 528233395 /nfs/dbraw/zinc/23/33/95/528233395.db2.gz WWDZUKOGBKFNQD-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1O ZINC000298692189 528274174 /nfs/dbraw/zinc/27/41/74/528274174.db2.gz LNIPLBVPYHVSGI-UHFFFAOYSA-N 2 1 306.450 3.143 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000430594596 528290097 /nfs/dbraw/zinc/29/00/97/528290097.db2.gz GOPLZNDGIPXSLH-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000430571681 528290511 /nfs/dbraw/zinc/29/05/11/528290511.db2.gz IMCOXSRFEYEZGY-GFCCVEGCSA-N 2 1 320.462 3.181 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])c2C1 ZINC000295597192 528329170 /nfs/dbraw/zinc/32/91/70/528329170.db2.gz COXVEKBSAXAPER-PBHICJAKSA-N 2 1 315.461 3.258 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])c2C1 ZINC000295597192 528329173 /nfs/dbraw/zinc/32/91/73/528329173.db2.gz COXVEKBSAXAPER-PBHICJAKSA-N 2 1 315.461 3.258 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000441353015 528650016 /nfs/dbraw/zinc/65/00/16/528650016.db2.gz YRODLMGGWIQPEI-UHFFFAOYSA-N 2 1 317.521 3.001 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415102592 528652832 /nfs/dbraw/zinc/65/28/32/528652832.db2.gz CMUYAKZWCCGILS-NVXWUHKLSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCC ZINC000435435767 528661161 /nfs/dbraw/zinc/66/11/61/528661161.db2.gz CCNTXBIDFRJGFD-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442921784 528662460 /nfs/dbraw/zinc/66/24/60/528662460.db2.gz JVQCZONCYNCWPS-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OCC ZINC000415055915 528689947 /nfs/dbraw/zinc/68/99/47/528689947.db2.gz PJTZBGFAFOSALT-QGZVFWFLSA-N 2 1 308.466 3.337 20 0 DGADMP CCC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000417313893 529005186 /nfs/dbraw/zinc/00/51/86/529005186.db2.gz QJBVEWNMDFVSMQ-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CC(C)(C)C3)cc2)CC1 ZINC000433160555 529149221 /nfs/dbraw/zinc/14/92/21/529149221.db2.gz VKKDJHBQHRIHGG-UHFFFAOYSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000432415489 529161331 /nfs/dbraw/zinc/16/13/31/529161331.db2.gz CSCTZESVZGHKGP-CRAIPNDOSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000430712453 529340082 /nfs/dbraw/zinc/34/00/82/529340082.db2.gz ZUXXWZISVQICDA-KSZLIROESA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449070218 535161896 /nfs/dbraw/zinc/16/18/96/535161896.db2.gz ZWAXHQDJAXDSRK-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488105756 535819909 /nfs/dbraw/zinc/81/99/09/535819909.db2.gz CYKIXAZHRVXQTJ-TVFCKZIOSA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488105756 535819910 /nfs/dbraw/zinc/81/99/10/535819910.db2.gz CYKIXAZHRVXQTJ-TVFCKZIOSA-N 2 1 320.521 3.434 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459347745 536182249 /nfs/dbraw/zinc/18/22/49/536182249.db2.gz CZLLOYPMFFYLQO-INIZCTEOSA-N 2 1 300.437 3.476 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459347745 536182253 /nfs/dbraw/zinc/18/22/53/536182253.db2.gz CZLLOYPMFFYLQO-INIZCTEOSA-N 2 1 300.437 3.476 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459347745 536182255 /nfs/dbraw/zinc/18/22/55/536182255.db2.gz CZLLOYPMFFYLQO-INIZCTEOSA-N 2 1 300.437 3.476 20 0 DGADMP CN(c1ccccc1)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472412453 536297501 /nfs/dbraw/zinc/29/75/01/536297501.db2.gz RJLDTLRPGFCIIT-GOSISDBHSA-N 2 1 315.505 3.462 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(Br)c1)C1CC1 ZINC000453607023 536339053 /nfs/dbraw/zinc/33/90/53/536339053.db2.gz WOUSWXVWBZIUPR-UHFFFAOYSA-N 2 1 311.267 3.413 20 0 DGADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459461027 536671302 /nfs/dbraw/zinc/67/13/02/536671302.db2.gz JNJXXZANWJHAGS-ACJLOTCBSA-N 2 1 306.425 3.118 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC000495259391 536948755 /nfs/dbraw/zinc/94/87/55/536948755.db2.gz LXMXZDKISYPSJY-HKUYNNGSSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090718341 545831634 /nfs/dbraw/zinc/83/16/34/545831634.db2.gz BGQLVCPKGKZMJT-DLBZAZTESA-N 2 1 302.462 3.189 20 0 DGADMP COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1 ZINC000123799558 545909230 /nfs/dbraw/zinc/90/92/30/545909230.db2.gz FYWNHBMRTDAUFI-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1 ZINC000123799558 545909232 /nfs/dbraw/zinc/90/92/32/545909232.db2.gz FYWNHBMRTDAUFI-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc(OC)c1 ZINC000123799558 545909236 /nfs/dbraw/zinc/90/92/36/545909236.db2.gz FYWNHBMRTDAUFI-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc(OC)c1 ZINC000123799558 545909238 /nfs/dbraw/zinc/90/92/38/545909238.db2.gz FYWNHBMRTDAUFI-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CCC[NH+]1CCC(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000156192889 546032359 /nfs/dbraw/zinc/03/23/59/546032359.db2.gz ADHFTLWMARLGNH-SFHVURJKSA-N 2 1 317.521 3.361 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccccc1 ZINC000166528116 546095714 /nfs/dbraw/zinc/09/57/14/546095714.db2.gz OHYBMUNDGHQCBM-OTWHNJEPSA-N 2 1 301.478 3.340 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnn1-c1ccccc1 ZINC000281782851 546389771 /nfs/dbraw/zinc/38/97/71/546389771.db2.gz XIFLRIXCPSQRRS-XYJFISCASA-N 2 1 312.461 3.396 20 0 DGADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000288819400 546410798 /nfs/dbraw/zinc/41/07/98/546410798.db2.gz MZKOQCMUAIUJPX-INIZCTEOSA-N 2 1 307.825 3.212 20 0 DGADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000339068620 546533537 /nfs/dbraw/zinc/53/35/37/546533537.db2.gz LHTWHQYMEQSCJV-GJZGRUSLSA-N 2 1 319.518 3.171 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)c2)CCO1 ZINC000348112223 546586488 /nfs/dbraw/zinc/58/64/88/546586488.db2.gz WKHDPIBNOCFFCV-CDHQVMDDSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)c2)CCO1 ZINC000348112223 546586496 /nfs/dbraw/zinc/58/64/96/546586496.db2.gz WKHDPIBNOCFFCV-CDHQVMDDSA-N 2 1 314.473 3.186 20 0 DGADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000381214772 546739221 /nfs/dbraw/zinc/73/92/21/546739221.db2.gz YEYIQTKFFYZZHI-FXAWDEMLSA-N 2 1 318.505 3.344 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381946793 546740299 /nfs/dbraw/zinc/74/02/99/546740299.db2.gz ZKBLXPQFDSVQKN-RSPOEFSDSA-N 2 1 316.489 3.444 20 0 DGADMP FC1(F)CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000390035417 546753138 /nfs/dbraw/zinc/75/31/38/546753138.db2.gz AFJKKIBIMHBQQI-QGZVFWFLSA-N 2 1 308.416 3.471 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000414931045 546791292 /nfs/dbraw/zinc/79/12/92/546791292.db2.gz UAQHUIICMXEUJD-NWDGAFQWSA-N 2 1 317.658 3.462 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000453394257 546859973 /nfs/dbraw/zinc/85/99/73/546859973.db2.gz ZXGHOZXUFVJCRR-YTQUADARSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000453394257 546859975 /nfs/dbraw/zinc/85/99/75/546859975.db2.gz ZXGHOZXUFVJCRR-YTQUADARSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000453404357 546861147 /nfs/dbraw/zinc/86/11/47/546861147.db2.gz RMNWQUIKCRLLSB-MOPGFXCFSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@@H](NCC[N@@H+]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000453404357 546861149 /nfs/dbraw/zinc/86/11/49/546861149.db2.gz RMNWQUIKCRLLSB-MOPGFXCFSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@@H](NCC[N@H+]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000453404357 546861152 /nfs/dbraw/zinc/86/11/52/546861152.db2.gz RMNWQUIKCRLLSB-MOPGFXCFSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453404360 546861324 /nfs/dbraw/zinc/86/13/24/546861324.db2.gz RMNWQUIKCRLLSB-RTBURBONSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@@H](NCC[N@@H+]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453404360 546861328 /nfs/dbraw/zinc/86/13/28/546861328.db2.gz RMNWQUIKCRLLSB-RTBURBONSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@@H](NCC[N@H+]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453404360 546861333 /nfs/dbraw/zinc/86/13/33/546861333.db2.gz RMNWQUIKCRLLSB-RTBURBONSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000556193976 546999485 /nfs/dbraw/zinc/99/94/85/546999485.db2.gz RMEBFUZGDTUPPX-KVPLUYHFSA-N 2 1 316.489 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000556193976 546999491 /nfs/dbraw/zinc/99/94/91/546999491.db2.gz RMEBFUZGDTUPPX-KVPLUYHFSA-N 2 1 316.489 3.210 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(C3CCC3)cnn2C)CC1 ZINC000667534579 547214560 /nfs/dbraw/zinc/21/45/60/547214560.db2.gz FLBFRMOCUPFNJL-UHFFFAOYSA-N 2 1 318.509 3.240 20 0 DGADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667615285 547242636 /nfs/dbraw/zinc/24/26/36/547242636.db2.gz LFXMDOZDYROLPT-OAHLLOKOSA-N 2 1 322.387 3.396 20 0 DGADMP CCCO[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667618404 547243832 /nfs/dbraw/zinc/24/38/32/547243832.db2.gz XZSCNGIUFJGEBZ-SFHVURJKSA-N 2 1 314.433 3.048 20 0 DGADMP CCCO[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667618404 547243844 /nfs/dbraw/zinc/24/38/44/547243844.db2.gz XZSCNGIUFJGEBZ-SFHVURJKSA-N 2 1 314.433 3.048 20 0 DGADMP Cc1[nH+]cc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)n1C ZINC000667670741 547268827 /nfs/dbraw/zinc/26/88/27/547268827.db2.gz XSRNXNRPAAKSOU-KXBFYZLASA-N 2 1 313.445 3.307 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)c1 ZINC000667819343 547312094 /nfs/dbraw/zinc/31/20/94/547312094.db2.gz UMFOMRHEZUOTRS-HFTRVMKXSA-N 2 1 320.502 3.117 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)c1 ZINC000667819343 547312099 /nfs/dbraw/zinc/31/20/99/547312099.db2.gz UMFOMRHEZUOTRS-HFTRVMKXSA-N 2 1 320.502 3.117 20 0 DGADMP FC(F)(F)[C@@H]1CCN(Cc2cnc3n2CCC3)CC12CCC2 ZINC000668110862 547387061 /nfs/dbraw/zinc/38/70/61/547387061.db2.gz TXLPWTMSLHKWDW-CYBMUJFWSA-N 2 1 313.367 3.384 20 0 DGADMP CCC[N@H+]1CC[C@@H](NCc2nc(C(C)C)n3ccccc23)C1 ZINC000668683349 547508892 /nfs/dbraw/zinc/50/88/92/547508892.db2.gz VLLLWSLZIMFNCH-OAHLLOKOSA-N 2 1 300.450 3.032 20 0 DGADMP CCC[N@H+]1CC[C@@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000668683349 547508902 /nfs/dbraw/zinc/50/89/02/547508902.db2.gz VLLLWSLZIMFNCH-OAHLLOKOSA-N 2 1 300.450 3.032 20 0 DGADMP CCCC1CCC(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668738422 547526852 /nfs/dbraw/zinc/52/68/52/547526852.db2.gz CLGQUWRTIGAXNE-FAFZWHIHSA-N 2 1 308.510 3.124 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CCO1 ZINC000668784451 547539893 /nfs/dbraw/zinc/53/98/93/547539893.db2.gz CSOHWZKYBUCQHG-FQEVSTJZSA-N 2 1 316.489 3.108 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CCO1 ZINC000668784451 547539897 /nfs/dbraw/zinc/53/98/97/547539897.db2.gz CSOHWZKYBUCQHG-FQEVSTJZSA-N 2 1 316.489 3.108 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784315 547540313 /nfs/dbraw/zinc/54/03/13/547540313.db2.gz BDYXVLUPGYKHJV-VQIMIIECSA-N 2 1 322.468 3.189 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CCO1 ZINC000668785504 547541378 /nfs/dbraw/zinc/54/13/78/547541378.db2.gz QYRHYSOUBUNBGI-LJQANCHMSA-N 2 1 302.462 3.107 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CCO1 ZINC000668785504 547541382 /nfs/dbraw/zinc/54/13/82/547541382.db2.gz QYRHYSOUBUNBGI-LJQANCHMSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668818332 547549418 /nfs/dbraw/zinc/54/94/18/547549418.db2.gz GPQIMBFWCZZQJP-LPHOPBHVSA-N 2 1 316.489 3.425 20 0 DGADMP C[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)(C)C ZINC000670262982 547740503 /nfs/dbraw/zinc/74/05/03/547740503.db2.gz PUOFVOJXWBVEFN-OKZBNKHCSA-N 2 1 309.542 3.159 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C(C)(C)C ZINC000670267435 547741282 /nfs/dbraw/zinc/74/12/82/547741282.db2.gz FBZNPFRZJYWCOW-NEWSRXKRSA-N 2 1 318.505 3.141 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C(C)(C)C ZINC000670267435 547741286 /nfs/dbraw/zinc/74/12/86/547741286.db2.gz FBZNPFRZJYWCOW-NEWSRXKRSA-N 2 1 318.505 3.141 20 0 DGADMP C/C=C\C[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671120767 547770845 /nfs/dbraw/zinc/77/08/45/547770845.db2.gz LKLQQRZEPHTDIC-YHHYSIDOSA-N 2 1 316.489 3.346 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)[NH+]1CCCCC1 ZINC000671760433 547829413 /nfs/dbraw/zinc/82/94/13/547829413.db2.gz IJOAPQQZOOZELR-KGLIPLIRSA-N 2 1 317.433 3.449 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000671770669 547831268 /nfs/dbraw/zinc/83/12/68/547831268.db2.gz WNSVJOQFEBRLFN-YOEHRIQHSA-N 2 1 321.440 3.007 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000671770669 547831272 /nfs/dbraw/zinc/83/12/72/547831272.db2.gz WNSVJOQFEBRLFN-YOEHRIQHSA-N 2 1 321.440 3.007 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000673717418 547985813 /nfs/dbraw/zinc/98/58/13/547985813.db2.gz ZRNKXEAUMQCUBL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000673717418 547985817 /nfs/dbraw/zinc/98/58/17/547985817.db2.gz ZRNKXEAUMQCUBL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000673717418 547985822 /nfs/dbraw/zinc/98/58/22/547985822.db2.gz ZRNKXEAUMQCUBL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000673717418 547985828 /nfs/dbraw/zinc/98/58/28/547985828.db2.gz ZRNKXEAUMQCUBL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000675497765 548226286 /nfs/dbraw/zinc/22/62/86/548226286.db2.gz PRHOWAVENAGICN-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000675497765 548226288 /nfs/dbraw/zinc/22/62/88/548226288.db2.gz PRHOWAVENAGICN-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000675497765 548226292 /nfs/dbraw/zinc/22/62/92/548226292.db2.gz PRHOWAVENAGICN-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H](CC1CCC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724591 548259586 /nfs/dbraw/zinc/25/95/86/548259586.db2.gz XCEFRWXXVXNBHX-NVXWUHKLSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2OC)[C@H](C)C1 ZINC000675787808 548271462 /nfs/dbraw/zinc/27/14/62/548271462.db2.gz BUKRJDVMRRSWIE-NVXWUHKLSA-N 2 1 304.478 3.293 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881183 548283397 /nfs/dbraw/zinc/28/33/97/548283397.db2.gz KJSIYZHLMGLEJX-FHWLQOOXSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880223 548283404 /nfs/dbraw/zinc/28/34/04/548283404.db2.gz CDINWIBXPKURSQ-BPQIPLTHSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882659 548285043 /nfs/dbraw/zinc/28/50/43/548285043.db2.gz UDRSXRWPBNATRZ-MOXGXCLJSA-N 2 1 314.473 3.153 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000676207615 548333066 /nfs/dbraw/zinc/33/30/66/548333066.db2.gz XTABDBUIUCSYFS-DOTOQJQBSA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000676207615 548333067 /nfs/dbraw/zinc/33/30/67/548333067.db2.gz XTABDBUIUCSYFS-DOTOQJQBSA-N 2 1 304.478 3.263 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000676712900 548399757 /nfs/dbraw/zinc/39/97/57/548399757.db2.gz QSUOSZPQFUDSBL-FXAWDEMLSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000676712900 548399761 /nfs/dbraw/zinc/39/97/61/548399761.db2.gz QSUOSZPQFUDSBL-FXAWDEMLSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000676712900 548399766 /nfs/dbraw/zinc/39/97/66/548399766.db2.gz QSUOSZPQFUDSBL-FXAWDEMLSA-N 2 1 313.489 3.201 20 0 DGADMP FC(F)Oc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677235635 548472726 /nfs/dbraw/zinc/47/27/26/548472726.db2.gz FUANVXBAQODJCR-CABCVRRESA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)(F)c1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677236819 548472994 /nfs/dbraw/zinc/47/29/94/548472994.db2.gz JGRFHBPMGCHQIB-CABCVRRESA-N 2 1 312.379 3.464 20 0 DGADMP CC[N@@H+](CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000677805010 548557693 /nfs/dbraw/zinc/55/76/93/548557693.db2.gz JKKTUZACWLJOFR-GOSISDBHSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000677805010 548557700 /nfs/dbraw/zinc/55/77/00/548557700.db2.gz JKKTUZACWLJOFR-GOSISDBHSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000677805010 548557703 /nfs/dbraw/zinc/55/77/03/548557703.db2.gz JKKTUZACWLJOFR-GOSISDBHSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)n1 ZINC000678160210 548628705 /nfs/dbraw/zinc/62/87/05/548628705.db2.gz PNXHKTYFNDMEHZ-MRXNPFEDSA-N 2 1 314.433 3.293 20 0 DGADMP CC(C)(C)Oc1cccc(CN2CCC[C@@H](n3ccnc3)C2)n1 ZINC000678160210 548628707 /nfs/dbraw/zinc/62/87/07/548628707.db2.gz PNXHKTYFNDMEHZ-MRXNPFEDSA-N 2 1 314.433 3.293 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000678271141 548664118 /nfs/dbraw/zinc/66/41/18/548664118.db2.gz OZPWZLYRNNMEMZ-CALCHBBNSA-N 2 1 302.462 3.249 20 0 DGADMP COC(C)(C)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678336419 548680771 /nfs/dbraw/zinc/68/07/71/548680771.db2.gz DAPHEQXEBZGEMN-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678334914 548681570 /nfs/dbraw/zinc/68/15/70/548681570.db2.gz YELZHBIYFZXOBM-DLBZAZTESA-N 2 1 302.462 3.392 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1)CC1CC1 ZINC000678469813 548710988 /nfs/dbraw/zinc/71/09/88/548710988.db2.gz OACZXFUUPJRMET-AWEZNQCLSA-N 2 1 320.481 3.273 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1)CC1CC1 ZINC000678469813 548710992 /nfs/dbraw/zinc/71/09/92/548710992.db2.gz OACZXFUUPJRMET-AWEZNQCLSA-N 2 1 320.481 3.273 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1)CC1CC1 ZINC000678469814 548711191 /nfs/dbraw/zinc/71/11/91/548711191.db2.gz OACZXFUUPJRMET-CQSZACIVSA-N 2 1 320.481 3.273 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1)CC1CC1 ZINC000678469814 548711194 /nfs/dbraw/zinc/71/11/94/548711194.db2.gz OACZXFUUPJRMET-CQSZACIVSA-N 2 1 320.481 3.273 20 0 DGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678687436 548750956 /nfs/dbraw/zinc/75/09/56/548750956.db2.gz YRFBDGBYWHVJNK-PMACEKPBSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000678770011 548760477 /nfs/dbraw/zinc/76/04/77/548760477.db2.gz CMKLQLDYNLYSNZ-CRAIPNDOSA-N 2 1 302.462 3.010 20 0 DGADMP C[C@@H]1C[C@@H](Nc2ccccc2C[NH+]2CCSCC2)CC[N@H+]1C ZINC000679142919 548837496 /nfs/dbraw/zinc/83/74/96/548837496.db2.gz NOSYBHMPRCYBJQ-WBVHZDCISA-N 2 1 319.518 3.130 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679153084 548839644 /nfs/dbraw/zinc/83/96/44/548839644.db2.gz NFABZTNHSCNODR-WMZOPIPTSA-N 2 1 301.478 3.485 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336364 548880887 /nfs/dbraw/zinc/88/08/87/548880887.db2.gz MRUJMCUGFNKBCE-QAPCUYQASA-N 2 1 312.461 3.281 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109313 548998333 /nfs/dbraw/zinc/99/83/33/548998333.db2.gz ALVMWHZYWLVVFJ-AEFFLSMTSA-N 2 1 306.425 3.153 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109313 548998338 /nfs/dbraw/zinc/99/83/38/548998338.db2.gz ALVMWHZYWLVVFJ-AEFFLSMTSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109313 548998342 /nfs/dbraw/zinc/99/83/42/548998342.db2.gz ALVMWHZYWLVVFJ-AEFFLSMTSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109313 548998346 /nfs/dbraw/zinc/99/83/46/548998346.db2.gz ALVMWHZYWLVVFJ-AEFFLSMTSA-N 2 1 306.425 3.153 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680352189 549037434 /nfs/dbraw/zinc/03/74/34/549037434.db2.gz JQFGDXBWRLDQNU-HHUCQEJWSA-N 2 1 316.489 3.300 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCc2ccc(C)nc2)cc1OC ZINC000684355336 549615705 /nfs/dbraw/zinc/61/57/05/549615705.db2.gz YALXAVMRYMZZIL-UHFFFAOYSA-N 2 1 314.429 3.472 20 0 DGADMP CN(Cc1nc2c(s1)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443821 549761998 /nfs/dbraw/zinc/76/19/98/549761998.db2.gz RHRIRWBYNBTMCM-PBWFPOADSA-N 2 1 305.491 3.079 20 0 DGADMP C[N@@H+](CCC1CCCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457125 549763491 /nfs/dbraw/zinc/76/34/91/549763491.db2.gz DXABJHNEBHRPNX-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000685457424 549763519 /nfs/dbraw/zinc/76/35/19/549763519.db2.gz ZGKSHNOHSPOHHK-WSTZPKSXSA-N 2 1 321.553 3.303 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc4c(s3)CCCC4)C2)CC1 ZINC000685462845 549765342 /nfs/dbraw/zinc/76/53/42/549765342.db2.gz ROHQNVWMTUDYFL-HNNXBMFYSA-N 2 1 319.518 3.186 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573777 549777256 /nfs/dbraw/zinc/77/72/56/549777256.db2.gz XGRCNOZCVVYKOM-IEGACIPQSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573777 549777261 /nfs/dbraw/zinc/77/72/61/549777261.db2.gz XGRCNOZCVVYKOM-IEGACIPQSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573777 549777263 /nfs/dbraw/zinc/77/72/63/549777263.db2.gz XGRCNOZCVVYKOM-IEGACIPQSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573777 549777268 /nfs/dbraw/zinc/77/72/68/549777268.db2.gz XGRCNOZCVVYKOM-IEGACIPQSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[NH+](C/C=C/C[N@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000685590613 549779298 /nfs/dbraw/zinc/77/92/98/549779298.db2.gz IMXSCUASJODGPB-LSMGEYOZSA-N 2 1 322.390 3.497 20 0 DGADMP Cc1cn[nH]c1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619424 549781374 /nfs/dbraw/zinc/78/13/74/549781374.db2.gz NSMMKSUYGUDPRU-AEFFLSMTSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000685619424 549781379 /nfs/dbraw/zinc/78/13/79/549781379.db2.gz NSMMKSUYGUDPRU-AEFFLSMTSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619424 549781383 /nfs/dbraw/zinc/78/13/83/549781383.db2.gz NSMMKSUYGUDPRU-AEFFLSMTSA-N 2 1 312.461 3.108 20 0 DGADMP C[N@H+](CCCNc1nc(N2CCCC2)cc[nH+]1)C1CCCCC1 ZINC000733184993 574604950 /nfs/dbraw/zinc/60/49/50/574604950.db2.gz JHZUPLNDBNGUMX-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DGADMP C[N@@H+](CCCNc1nc(N2CCCC2)cc[nH+]1)C1CCCCC1 ZINC000733184993 574604951 /nfs/dbraw/zinc/60/49/51/574604951.db2.gz JHZUPLNDBNGUMX-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694649 620641762 /nfs/dbraw/zinc/64/17/62/620641762.db2.gz XVDZPZFBWBRECJ-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694649 620641766 /nfs/dbraw/zinc/64/17/66/620641766.db2.gz XVDZPZFBWBRECJ-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729114 620643418 /nfs/dbraw/zinc/64/34/18/620643418.db2.gz KUGHBIKAEVZNBR-SQNIBIBYSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729111 620643653 /nfs/dbraw/zinc/64/36/53/620643653.db2.gz KUGHBIKAEVZNBR-BZSNNMDCSA-N 2 1 324.896 3.472 20 0 DGADMP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H](O)c1ccc(C)cc1 ZINC000852746208 620644882 /nfs/dbraw/zinc/64/48/82/620644882.db2.gz JWACGOXYYGVXCT-OAQYLSRUSA-N 2 1 324.468 3.196 20 0 DGADMP Fc1ccc(SCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000852748462 620645650 /nfs/dbraw/zinc/64/56/50/620645650.db2.gz WMLCZPKDCDSAJO-INIZCTEOSA-N 2 1 312.429 3.132 20 0 DGADMP Fc1ccc(SCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000852748462 620645654 /nfs/dbraw/zinc/64/56/54/620645654.db2.gz WMLCZPKDCDSAJO-INIZCTEOSA-N 2 1 312.429 3.132 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762673 620646685 /nfs/dbraw/zinc/64/66/85/620646685.db2.gz SUSFCJDRWFPOFJ-WMZOPIPTSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762673 620646686 /nfs/dbraw/zinc/64/66/86/620646686.db2.gz SUSFCJDRWFPOFJ-WMZOPIPTSA-N 2 1 322.880 3.370 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000916835317 620646890 /nfs/dbraw/zinc/64/68/90/620646890.db2.gz OJGHKPJIARWMHZ-CQSZACIVSA-N 2 1 318.490 3.048 20 0 DGADMP c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093669 620668093 /nfs/dbraw/zinc/66/80/93/620668093.db2.gz PVCWOXWZZAKDKT-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240252 620680847 /nfs/dbraw/zinc/68/08/47/620680847.db2.gz NTTVKWKFFJSRNQ-BBRMVZONSA-N 2 1 305.466 3.318 20 0 DGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240252 620680849 /nfs/dbraw/zinc/68/08/49/620680849.db2.gz NTTVKWKFFJSRNQ-BBRMVZONSA-N 2 1 305.466 3.318 20 0 DGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241401 620681286 /nfs/dbraw/zinc/68/12/86/620681286.db2.gz UNLHNFYRZPOJKR-GDBMZVCRSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241401 620681287 /nfs/dbraw/zinc/68/12/87/620681287.db2.gz UNLHNFYRZPOJKR-GDBMZVCRSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241402 620681434 /nfs/dbraw/zinc/68/14/34/620681434.db2.gz UNLHNFYRZPOJKR-GOEBONIOSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241402 620681436 /nfs/dbraw/zinc/68/14/36/620681436.db2.gz UNLHNFYRZPOJKR-GOEBONIOSA-N 2 1 319.880 3.434 20 0 DGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000891580170 617842456 /nfs/dbraw/zinc/84/24/56/617842456.db2.gz AZIPXAFHQXQXBK-INIZCTEOSA-N 2 1 304.478 3.290 20 0 DGADMP C[NH+]1CCC(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000891695426 617870752 /nfs/dbraw/zinc/87/07/52/617870752.db2.gz ZARFSYQPGQPOOB-UHFFFAOYSA-N 2 1 301.409 3.007 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000891695426 617870763 /nfs/dbraw/zinc/87/07/63/617870763.db2.gz ZARFSYQPGQPOOB-UHFFFAOYSA-N 2 1 301.409 3.007 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC000891752422 617889694 /nfs/dbraw/zinc/88/96/94/617889694.db2.gz ITRNOKKKGXDKOB-GOSISDBHSA-N 2 1 302.462 3.044 20 0 DGADMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CCCO2 ZINC000892086523 617959028 /nfs/dbraw/zinc/95/90/28/617959028.db2.gz QYCPOCXKFFMWAL-LJQANCHMSA-N 2 1 314.473 3.462 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CCCO2 ZINC000892086523 617959030 /nfs/dbraw/zinc/95/90/30/617959030.db2.gz QYCPOCXKFFMWAL-LJQANCHMSA-N 2 1 314.473 3.462 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)CC1 ZINC000892118060 617965598 /nfs/dbraw/zinc/96/55/98/617965598.db2.gz TYWVMWJMDDDYRP-SFHVURJKSA-N 2 1 300.446 3.066 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000892143649 617974581 /nfs/dbraw/zinc/97/45/81/617974581.db2.gz JUFOMNDKZFOQRG-GOSISDBHSA-N 2 1 318.509 3.245 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000892143649 617974584 /nfs/dbraw/zinc/97/45/84/617974584.db2.gz JUFOMNDKZFOQRG-GOSISDBHSA-N 2 1 318.509 3.245 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000892143649 617974585 /nfs/dbraw/zinc/97/45/85/617974585.db2.gz JUFOMNDKZFOQRG-GOSISDBHSA-N 2 1 318.509 3.245 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000892143649 617974587 /nfs/dbraw/zinc/97/45/87/617974587.db2.gz JUFOMNDKZFOQRG-GOSISDBHSA-N 2 1 318.509 3.245 20 0 DGADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000892233110 617990810 /nfs/dbraw/zinc/99/08/10/617990810.db2.gz CVWXDZFLLPWDTM-SLFFLAALSA-N 2 1 316.489 3.029 20 0 DGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924530002 618066142 /nfs/dbraw/zinc/06/61/42/618066142.db2.gz VBRLCTUUTJVOLQ-UXHICEINSA-N 2 1 316.489 3.302 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1)C1CCCCC1 ZINC000926651033 618078652 /nfs/dbraw/zinc/07/86/52/618078652.db2.gz NZPCDJSNLHRSAA-HNNXBMFYSA-N 2 1 305.466 3.483 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000892509757 618090129 /nfs/dbraw/zinc/09/01/29/618090129.db2.gz CYKCJHBAOPVFKJ-OAHLLOKOSA-N 2 1 300.450 3.211 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000926698324 618091980 /nfs/dbraw/zinc/09/19/80/618091980.db2.gz AUFAGNNWNYJMAV-MOPGFXCFSA-N 2 1 302.462 3.265 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753753 618110127 /nfs/dbraw/zinc/11/01/27/618110127.db2.gz IXSMYENSAJXWGQ-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753753 618110128 /nfs/dbraw/zinc/11/01/28/618110128.db2.gz IXSMYENSAJXWGQ-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892584358 618112896 /nfs/dbraw/zinc/11/28/96/618112896.db2.gz JNNMWJHQPQLTTL-CYBMUJFWSA-N 2 1 308.495 3.017 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892584358 618112898 /nfs/dbraw/zinc/11/28/98/618112898.db2.gz JNNMWJHQPQLTTL-CYBMUJFWSA-N 2 1 308.495 3.017 20 0 DGADMP C[C@@H](NCC1([NH+](C)C)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924576795 618113310 /nfs/dbraw/zinc/11/33/10/618113310.db2.gz BQFYCWWTJUUQCU-MRXNPFEDSA-N 2 1 303.494 3.273 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892589272 618114130 /nfs/dbraw/zinc/11/41/30/618114130.db2.gz NHRAUTJQEZBIHW-ZIAGYGMSSA-N 2 1 322.522 3.263 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnn1CC1CCC1 ZINC000924577252 618115331 /nfs/dbraw/zinc/11/53/31/618115331.db2.gz AIFUFOBINQJURG-INIZCTEOSA-N 2 1 304.482 3.210 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000892631036 618122276 /nfs/dbraw/zinc/12/22/76/618122276.db2.gz FKCLBIISKKNFJP-HNNXBMFYSA-N 2 1 306.498 3.292 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000892631037 618122312 /nfs/dbraw/zinc/12/23/12/618122312.db2.gz FKCLBIISKKNFJP-OAHLLOKOSA-N 2 1 306.498 3.292 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C1CCCCC1 ZINC000924601903 618149655 /nfs/dbraw/zinc/14/96/55/618149655.db2.gz SLMSKSBAGPQZQV-PKOBYXMFSA-N 2 1 308.510 3.436 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(F)c(C)c1 ZINC000894478455 618349756 /nfs/dbraw/zinc/34/97/56/618349756.db2.gz AXXCEFNUEZOSBM-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(F)c(C)c1 ZINC000894478455 618349763 /nfs/dbraw/zinc/34/97/63/618349763.db2.gz AXXCEFNUEZOSBM-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP Cc1ccc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1C ZINC000892927566 618354803 /nfs/dbraw/zinc/35/48/03/618354803.db2.gz AEHZRMNNVMGSPZ-UHFFFAOYSA-N 2 1 316.489 3.081 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)[C@H]1c1cccs1 ZINC000893019028 618393838 /nfs/dbraw/zinc/39/38/38/618393838.db2.gz IRKNWKJJNAIRFH-JWFMREHNSA-N 2 1 322.518 3.414 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)[C@H]1c1cccs1 ZINC000893019028 618393844 /nfs/dbraw/zinc/39/38/44/618393844.db2.gz IRKNWKJJNAIRFH-JWFMREHNSA-N 2 1 322.518 3.414 20 0 DGADMP Cc1cc[nH+]c(N)c1CNc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000894622867 618403754 /nfs/dbraw/zinc/40/37/54/618403754.db2.gz PWPLGMFZBJCPIR-UHFFFAOYSA-N 2 1 304.825 3.299 20 0 DGADMP CC(C)Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000894624226 618404303 /nfs/dbraw/zinc/40/43/03/618404303.db2.gz UQOOHHNMCZRMSX-LJQANCHMSA-N 2 1 301.478 3.198 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H](C)C1 ZINC000925078432 618430154 /nfs/dbraw/zinc/43/01/54/618430154.db2.gz MCDPSHGGTJPPEA-OYSTVDSJSA-N 2 1 306.494 3.068 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925513296 618451198 /nfs/dbraw/zinc/45/11/98/618451198.db2.gz IOSVEHXGAKBMEV-BHIYHBOVSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925513296 618451202 /nfs/dbraw/zinc/45/12/02/618451202.db2.gz IOSVEHXGAKBMEV-BHIYHBOVSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925513296 618451205 /nfs/dbraw/zinc/45/12/05/618451205.db2.gz IOSVEHXGAKBMEV-BHIYHBOVSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000925587943 618501859 /nfs/dbraw/zinc/50/18/59/618501859.db2.gz LKZOOWPHZXLGEL-QYZOEREBSA-N 2 1 310.526 3.275 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925615889 618509967 /nfs/dbraw/zinc/50/99/67/618509967.db2.gz ISSPKJSTEVMEEX-ZHALLVOQSA-N 2 1 303.494 3.033 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925619753 618511607 /nfs/dbraw/zinc/51/16/07/618511607.db2.gz ARHIMIBRHRGPDN-MSOLQXFVSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721510 618550242 /nfs/dbraw/zinc/55/02/42/618550242.db2.gz CWYCWFUDGBMPHL-SZMVWBNQSA-N 2 1 302.462 3.404 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnc1F ZINC000893489592 618571032 /nfs/dbraw/zinc/57/10/32/618571032.db2.gz ZTPBREFLAPWUKW-ZBFHGGJFSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnc1F ZINC000893489592 618571037 /nfs/dbraw/zinc/57/10/37/618571037.db2.gz ZTPBREFLAPWUKW-ZBFHGGJFSA-N 2 1 305.441 3.272 20 0 DGADMP C[NH+](C)[C@H]1CCCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000893493213 618572334 /nfs/dbraw/zinc/57/23/34/618572334.db2.gz WWLWLBHFNOIHBT-AWEZNQCLSA-N 2 1 312.461 3.362 20 0 DGADMP CC[C@@H](Cc1cccs1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750569 618594277 /nfs/dbraw/zinc/59/42/77/618594277.db2.gz JLPDPYZCQBPBNF-NSHDSACASA-N 2 1 307.488 3.043 20 0 DGADMP CCC1([NH3+])CCN([C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000925759402 618601981 /nfs/dbraw/zinc/60/19/81/618601981.db2.gz OADYQRMFKIYYLE-MJGOQNOKSA-N 2 1 315.505 3.100 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c2c(n1)CCCC2 ZINC000893859594 618667283 /nfs/dbraw/zinc/66/72/83/618667283.db2.gz YGMGPNQYNHOMGA-UHFFFAOYSA-N 2 1 313.489 3.329 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044868 618698454 /nfs/dbraw/zinc/69/84/54/618698454.db2.gz LVIRMHCQOLLNAX-RDJZCZTQSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050816 618700020 /nfs/dbraw/zinc/70/00/20/618700020.db2.gz UPASIDSCSBDJHE-RDJZCZTQSA-N 2 1 320.477 3.174 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050816 618700022 /nfs/dbraw/zinc/70/00/22/618700022.db2.gz UPASIDSCSBDJHE-RDJZCZTQSA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050816 618700025 /nfs/dbraw/zinc/70/00/25/618700025.db2.gz UPASIDSCSBDJHE-RDJZCZTQSA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050816 618700027 /nfs/dbraw/zinc/70/00/27/618700027.db2.gz UPASIDSCSBDJHE-RDJZCZTQSA-N 2 1 320.477 3.174 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000894181143 618725045 /nfs/dbraw/zinc/72/50/45/618725045.db2.gz VZHBVFSUBXDPML-AWEZNQCLSA-N 2 1 316.449 3.275 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)C1CCCC1 ZINC000924968774 618753045 /nfs/dbraw/zinc/75/30/45/618753045.db2.gz FFPMEYKTYBWSEN-QFBILLFUSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)C1CCCC1 ZINC000924968774 618753047 /nfs/dbraw/zinc/75/30/47/618753047.db2.gz FFPMEYKTYBWSEN-QFBILLFUSA-N 2 1 301.478 3.257 20 0 DGADMP Cc1cc[nH+]c(N)c1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000894361618 618771866 /nfs/dbraw/zinc/77/18/66/618771866.db2.gz KYMPAAYILLCZFN-UHFFFAOYSA-N 2 1 310.445 3.223 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CC3CC[NH+](C)CC3)C2)c1 ZINC000895386478 618776889 /nfs/dbraw/zinc/77/68/89/618776889.db2.gz SMNZVHLOYYAYKC-IBGZPJMESA-N 2 1 302.462 3.000 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CC3CC[NH+](C)CC3)C2)c1 ZINC000895386479 618776988 /nfs/dbraw/zinc/77/69/88/618776988.db2.gz SMNZVHLOYYAYKC-LJQANCHMSA-N 2 1 302.462 3.000 20 0 DGADMP CSCc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000895473202 618788910 /nfs/dbraw/zinc/78/89/10/618788910.db2.gz NELNQYGZWMZMMC-GOSISDBHSA-N 2 1 322.518 3.092 20 0 DGADMP CSCc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000895473202 618788912 /nfs/dbraw/zinc/78/89/12/618788912.db2.gz NELNQYGZWMZMMC-GOSISDBHSA-N 2 1 322.518 3.092 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895622625 618808340 /nfs/dbraw/zinc/80/83/40/618808340.db2.gz HOOJTSCYFCVEME-PHXBYCTMSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895622625 618808341 /nfs/dbraw/zinc/80/83/41/618808341.db2.gz HOOJTSCYFCVEME-PHXBYCTMSA-N 2 1 314.473 3.369 20 0 DGADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683955 618818563 /nfs/dbraw/zinc/81/85/63/618818563.db2.gz YVZYZEQFTFRVLP-UHFFFAOYSA-N 2 1 320.525 3.243 20 0 DGADMP CC(C)C[N@H+](Cc1cnn(C)c1C1CC1)CC1CC[NH+](C)CC1 ZINC000895861698 618840650 /nfs/dbraw/zinc/84/06/50/618840650.db2.gz RMATTXUNSNMIFY-UHFFFAOYSA-N 2 1 318.509 3.097 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)[nH]n1 ZINC000895927195 618849970 /nfs/dbraw/zinc/84/99/70/618849970.db2.gz JLNIHRSJRIRXRY-MRXNPFEDSA-N 2 1 304.482 3.054 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000895927195 618849971 /nfs/dbraw/zinc/84/99/71/618849971.db2.gz JLNIHRSJRIRXRY-MRXNPFEDSA-N 2 1 304.482 3.054 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000895927195 618849972 /nfs/dbraw/zinc/84/99/72/618849972.db2.gz JLNIHRSJRIRXRY-MRXNPFEDSA-N 2 1 304.482 3.054 20 0 DGADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H]1C ZINC000925132639 618898878 /nfs/dbraw/zinc/89/88/78/618898878.db2.gz ARTSICUNPAEFCV-JLHDYFKBSA-N 2 1 308.491 3.144 20 0 DGADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H]1C ZINC000925132639 618898879 /nfs/dbraw/zinc/89/88/79/618898879.db2.gz ARTSICUNPAEFCV-JLHDYFKBSA-N 2 1 308.491 3.144 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000897882391 619191046 /nfs/dbraw/zinc/19/10/46/619191046.db2.gz NQVRTNIGCWUJCV-QCEMKRCNSA-N 2 1 306.400 3.427 20 0 DGADMP COC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCCC1 ZINC000898260881 619230019 /nfs/dbraw/zinc/23/00/19/619230019.db2.gz MHHQEXFKPNFZCH-UHFFFAOYSA-N 2 1 311.495 3.034 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)C1 ZINC000926974123 619254376 /nfs/dbraw/zinc/25/43/76/619254376.db2.gz DIXGVFUXHFVARG-MXASKKJJSA-N 2 1 308.416 3.355 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924688979 619257744 /nfs/dbraw/zinc/25/77/44/619257744.db2.gz VXLLPPXSYHRDLP-GUDVDZBRSA-N 3 1 307.526 3.248 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924688978 619258062 /nfs/dbraw/zinc/25/80/62/619258062.db2.gz VXLLPPXSYHRDLP-CEXWTWQISA-N 3 1 307.526 3.248 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520467 619284162 /nfs/dbraw/zinc/28/41/62/619284162.db2.gz ZHVREDNCLRVHBL-IYWMVGAKSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924754165 619326578 /nfs/dbraw/zinc/32/65/78/619326578.db2.gz GXAMYOSCOYVLBO-AWEZNQCLSA-N 2 1 316.445 3.239 20 0 DGADMP CNc1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000902131672 619593911 /nfs/dbraw/zinc/59/39/11/619593911.db2.gz JSYKSGMSNARUNN-UHFFFAOYSA-N 2 1 301.478 3.473 20 0 DGADMP Cc1ccc([C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)N2CCCC2)o1 ZINC000902348270 619620253 /nfs/dbraw/zinc/62/02/53/619620253.db2.gz YNCUEECQHKWMLA-IAGOWNOFSA-N 2 1 319.493 3.093 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000902336087 619622968 /nfs/dbraw/zinc/62/29/68/619622968.db2.gz YAKMVBJWERUHJT-LJQANCHMSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367395 619623719 /nfs/dbraw/zinc/62/37/19/619623719.db2.gz BVGGIHQBVUKPMK-BBWFWOEESA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000902367395 619623720 /nfs/dbraw/zinc/62/37/20/619623720.db2.gz BVGGIHQBVUKPMK-BBWFWOEESA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367395 619623721 /nfs/dbraw/zinc/62/37/21/619623721.db2.gz BVGGIHQBVUKPMK-BBWFWOEESA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000902384066 619629236 /nfs/dbraw/zinc/62/92/36/619629236.db2.gz GQBUYMGCIOALKC-HZPDHXFCSA-N 2 1 312.461 3.301 20 0 DGADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)ccc1SC(F)F ZINC000902416947 619632532 /nfs/dbraw/zinc/63/25/32/619632532.db2.gz PYEULRSETRTTCP-VIFPVBQESA-N 2 1 302.390 3.152 20 0 DGADMP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902431155 619635002 /nfs/dbraw/zinc/63/50/02/619635002.db2.gz RWHZPQHFNBCLLR-FVQBIDKESA-N 2 1 308.853 3.359 20 0 DGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467930 619641863 /nfs/dbraw/zinc/64/18/63/619641863.db2.gz SBXJUPZFOJVVAL-WXYCVUISSA-N 2 1 310.388 3.092 20 0 DGADMP C([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000902742420 619668842 /nfs/dbraw/zinc/66/88/42/619668842.db2.gz PPSBFDFOWHWURX-NJAFHUGGSA-N 2 1 306.494 3.046 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000902742873 619669079 /nfs/dbraw/zinc/66/90/79/619669079.db2.gz ZYNZOJXOPJCYOG-AVYPCKFXSA-N 2 1 314.473 3.393 20 0 DGADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)CC[N@H+]2C1 ZINC000902751944 619670400 /nfs/dbraw/zinc/67/04/00/619670400.db2.gz DXXVLIBXAUQBLZ-HCXYKTFWSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902754539 619670857 /nfs/dbraw/zinc/67/08/57/619670857.db2.gz FHEJWOWVNYYFTF-ZWKOTPCHSA-N 2 1 305.466 3.157 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902761634 619671999 /nfs/dbraw/zinc/67/19/99/619671999.db2.gz VSICMFVZJZMQFI-GFAGPORBSA-N 2 1 320.521 3.146 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902761634 619672000 /nfs/dbraw/zinc/67/20/00/619672000.db2.gz VSICMFVZJZMQFI-GFAGPORBSA-N 2 1 320.521 3.146 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1COc2ccccc2C1 ZINC000902822008 619679498 /nfs/dbraw/zinc/67/94/98/619679498.db2.gz OPKQQWSQWVOCBW-HTBOALCVSA-N 2 1 314.473 3.231 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1COc2ccccc2C1 ZINC000902822008 619679501 /nfs/dbraw/zinc/67/95/01/619679501.db2.gz OPKQQWSQWVOCBW-HTBOALCVSA-N 2 1 314.473 3.231 20 0 DGADMP C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000902862415 619686278 /nfs/dbraw/zinc/68/62/78/619686278.db2.gz HJTCFVXSCJZJPX-BCDXTJNWSA-N 2 1 306.494 3.190 20 0 DGADMP C([NH2+]C1C[C@@H]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000902862417 619686438 /nfs/dbraw/zinc/68/64/38/619686438.db2.gz HJTCFVXSCJZJPX-IRXDYDNUSA-N 2 1 306.494 3.190 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000903015278 619701813 /nfs/dbraw/zinc/70/18/13/619701813.db2.gz FHPUAEVIBNMDQA-OAHLLOKOSA-N 2 1 318.461 3.307 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccsc1 ZINC000903061538 619708231 /nfs/dbraw/zinc/70/82/31/619708231.db2.gz GIYXQRAENVSYLM-ONQFOCNCSA-N 2 1 319.518 3.098 20 0 DGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903061692 619708546 /nfs/dbraw/zinc/70/85/46/619708546.db2.gz IGAWKZVPDYEKMP-NXCDMZCRSA-N 2 1 320.864 3.121 20 0 DGADMP CO[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000903075115 619711235 /nfs/dbraw/zinc/71/12/35/619711235.db2.gz ZBLWBWXHJAINNW-OALUTQOASA-N 2 1 302.462 3.117 20 0 DGADMP CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903076665 619711920 /nfs/dbraw/zinc/71/19/20/619711920.db2.gz UBHXDTCPUQMYHT-ZNXRZULTSA-N 2 1 300.446 3.333 20 0 DGADMP CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903076665 619711922 /nfs/dbraw/zinc/71/19/22/619711922.db2.gz UBHXDTCPUQMYHT-ZNXRZULTSA-N 2 1 300.446 3.333 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccc1C ZINC000903083073 619713169 /nfs/dbraw/zinc/71/31/69/619713169.db2.gz ZKZHQYNWXPBMRZ-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903088390 619713650 /nfs/dbraw/zinc/71/36/50/619713650.db2.gz KQNMMCAGVYXPLI-ZXFUBFMLSA-N 2 1 318.436 3.124 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091146 619714410 /nfs/dbraw/zinc/71/44/10/619714410.db2.gz OCOBXFOPSDZCBE-WMZOPIPTSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091146 619714411 /nfs/dbraw/zinc/71/44/11/619714411.db2.gz OCOBXFOPSDZCBE-WMZOPIPTSA-N 2 1 318.509 3.454 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903068961 619714515 /nfs/dbraw/zinc/71/45/15/619714515.db2.gz AEHGYKOTXKVQKI-QRQLOZEOSA-N 2 1 308.510 3.293 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903068959 619714562 /nfs/dbraw/zinc/71/45/62/619714562.db2.gz AEHGYKOTXKVQKI-NEWSRXKRSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C[NH+]1CCCC1 ZINC000903073838 619715938 /nfs/dbraw/zinc/71/59/38/619715938.db2.gz LHUVNHZWRDSABZ-HOTGVXAUSA-N 2 1 304.482 3.066 20 0 DGADMP Fc1ccc(F)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903106554 619717987 /nfs/dbraw/zinc/71/79/87/619717987.db2.gz ZTTGMADTCAKVAI-ZXFUBFMLSA-N 2 1 306.400 3.255 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903096758 619719449 /nfs/dbraw/zinc/71/94/49/619719449.db2.gz KFHNBGUOBZFYQQ-ZVRJUHEZSA-N 2 1 302.466 3.272 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903096758 619719450 /nfs/dbraw/zinc/71/94/50/619719450.db2.gz KFHNBGUOBZFYQQ-ZVRJUHEZSA-N 2 1 302.466 3.272 20 0 DGADMP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903113876 619719964 /nfs/dbraw/zinc/71/99/64/619719964.db2.gz XSLHCSIITIFNAQ-ZNXRZULTSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccccn2)C2CC2)C[C@H](C)O1 ZINC000903121198 619721778 /nfs/dbraw/zinc/72/17/78/619721778.db2.gz PNPZSUMBHPENIF-FCEWJHQRSA-N 2 1 317.477 3.012 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903164444 619728582 /nfs/dbraw/zinc/72/85/82/619728582.db2.gz HNORZWQYZQUXSQ-QZNYNHHHSA-N 2 1 314.473 3.084 20 0 DGADMP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903184089 619731940 /nfs/dbraw/zinc/73/19/40/619731940.db2.gz ADQZBBAIQMPNDX-KOALZCAMSA-N 2 1 300.421 3.429 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000903207975 619738406 /nfs/dbraw/zinc/73/84/06/619738406.db2.gz XLRFSIOZOGHZDE-MAUKXSAKSA-N 2 1 318.461 3.132 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208066 619738848 /nfs/dbraw/zinc/73/88/48/619738848.db2.gz YRHGRGIXKWIXKJ-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208066 619738849 /nfs/dbraw/zinc/73/88/49/619738849.db2.gz YRHGRGIXKWIXKJ-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)OC(C)(C)C ZINC000903224145 619741629 /nfs/dbraw/zinc/74/16/29/619741629.db2.gz QQNHIRLMFMAGAN-ZBSSRIJBSA-N 2 1 322.493 3.102 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(C)C ZINC000903252786 619745227 /nfs/dbraw/zinc/74/52/27/619745227.db2.gz GWPQOYNCIGAGBN-HFCFLWKCSA-N 3 1 307.526 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(C)C ZINC000903252786 619745228 /nfs/dbraw/zinc/74/52/28/619745228.db2.gz GWPQOYNCIGAGBN-HFCFLWKCSA-N 2 1 307.526 3.246 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000903253549 619745269 /nfs/dbraw/zinc/74/52/69/619745269.db2.gz LTFPHQXFDTVGCK-FNNTYFIOSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000903253549 619745270 /nfs/dbraw/zinc/74/52/70/619745270.db2.gz LTFPHQXFDTVGCK-FNNTYFIOSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@@H]1[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000903301478 619753971 /nfs/dbraw/zinc/75/39/71/619753971.db2.gz RBLGOSOFSADRRT-NVXWUHKLSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCN1C ZINC000903301478 619753972 /nfs/dbraw/zinc/75/39/72/619753972.db2.gz RBLGOSOFSADRRT-NVXWUHKLSA-N 2 1 309.542 3.348 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccnc1 ZINC000903383355 619769506 /nfs/dbraw/zinc/76/95/06/619769506.db2.gz LYWSHANKSFXRDM-VQTJNVASSA-N 2 1 309.457 3.222 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C[NH3+] ZINC000903460108 619776952 /nfs/dbraw/zinc/77/69/52/619776952.db2.gz XGDJECYWBQRQIT-PVTMVUMOSA-N 2 1 308.416 3.341 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000903458561 619776963 /nfs/dbraw/zinc/77/69/63/619776963.db2.gz DFSHVVCTMUCKAN-SCDSUCTJSA-N 2 1 304.331 3.264 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000903459023 619776975 /nfs/dbraw/zinc/77/69/75/619776975.db2.gz PQSSFGQFZTVNSU-ZACQAIPSSA-N 2 1 317.477 3.243 20 0 DGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903459687 619777032 /nfs/dbraw/zinc/77/70/32/619777032.db2.gz WVHARKZCNZLODD-OCCSQVGLSA-N 2 1 316.367 3.143 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC000903463750 619777277 /nfs/dbraw/zinc/77/72/77/619777277.db2.gz LEBYSHLARRNTMJ-DZGCQCFKSA-N 2 1 313.470 3.296 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1CC[NH3+] ZINC000903461469 619777450 /nfs/dbraw/zinc/77/74/50/619777450.db2.gz UVUTYYIGKOSYOH-MXASKKJJSA-N 2 1 308.416 3.485 20 0 DGADMP CCC[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1CC[NH2+]CC1 ZINC000903445533 619777923 /nfs/dbraw/zinc/77/79/23/619777923.db2.gz LEHXIJPCKBORJN-IAGOWNOFSA-N 2 1 308.416 3.499 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000903456715 619779807 /nfs/dbraw/zinc/77/98/07/619779807.db2.gz JWOFTNJPFNRQLH-ILXRZTDVSA-N 2 1 319.518 3.057 20 0 DGADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903482754 619781028 /nfs/dbraw/zinc/78/10/28/619781028.db2.gz RTZHOJBTXXYOOB-INMHGKMJSA-N 2 1 302.466 3.157 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCc2ccns2)C1)C1CCCC1 ZINC000903482812 619781240 /nfs/dbraw/zinc/78/12/40/619781240.db2.gz UKMYLALCNIRTPP-RHSMWYFYSA-N 2 1 307.507 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1CC[NH3+] ZINC000903498460 619781671 /nfs/dbraw/zinc/78/16/71/619781671.db2.gz GFHWSRQWIRIZIS-UKRRQHHQSA-N 2 1 301.459 3.227 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508470 619782289 /nfs/dbraw/zinc/78/22/89/619782289.db2.gz IAHYWJDYYTWQCY-HSALFYBXSA-N 2 1 313.489 3.038 20 0 DGADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903565568 619783537 /nfs/dbraw/zinc/78/35/37/619783537.db2.gz MKZOWRGIGJHJOZ-SFHVURJKSA-N 2 1 302.462 3.112 20 0 DGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718670 619802990 /nfs/dbraw/zinc/80/29/90/619802990.db2.gz QNGZTDHJISPKCV-LSTHTHJFSA-N 2 1 314.473 3.056 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718299 619803136 /nfs/dbraw/zinc/80/31/36/619803136.db2.gz KJGYVVDQJOEUPG-RBUKOAKNSA-N 2 1 302.462 3.010 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722492 619803637 /nfs/dbraw/zinc/80/36/37/619803637.db2.gz BKOZIXUPOSSSCJ-HIFRSBDPSA-N 2 1 324.415 3.116 20 0 DGADMP Fc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903722927 619804284 /nfs/dbraw/zinc/80/42/84/619804284.db2.gz FJSZRXZMMJDTJD-ROUUACIJSA-N 2 1 318.436 3.121 20 0 DGADMP CC1CCC([N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)CC1 ZINC000903723633 619804293 /nfs/dbraw/zinc/80/42/93/619804293.db2.gz XEXWWIUXOBWFTP-LEOMRAHMSA-N 2 1 306.494 3.188 20 0 DGADMP Fc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903722923 619804335 /nfs/dbraw/zinc/80/43/35/619804335.db2.gz FJSZRXZMMJDTJD-MSOLQXFVSA-N 2 1 318.436 3.121 20 0 DGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903733058 619806456 /nfs/dbraw/zinc/80/64/56/619806456.db2.gz IRJCHQYYRJGTLT-NVXWUHKLSA-N 2 1 318.436 3.110 20 0 DGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903733058 619806457 /nfs/dbraw/zinc/80/64/57/619806457.db2.gz IRJCHQYYRJGTLT-NVXWUHKLSA-N 2 1 318.436 3.110 20 0 DGADMP C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765885 619809623 /nfs/dbraw/zinc/80/96/23/619809623.db2.gz LZYZXNDOQGTWIO-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903784239 619813297 /nfs/dbraw/zinc/81/32/97/619813297.db2.gz MFYACKHLNMRXHI-HZPDHXFCSA-N 2 1 307.507 3.096 20 0 DGADMP Cn1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810533 619817744 /nfs/dbraw/zinc/81/77/44/619817744.db2.gz DIHJOWXGHAQLCD-KRWDZBQOSA-N 2 1 312.461 3.057 20 0 DGADMP Cn1c2ccccc2nc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810533 619817748 /nfs/dbraw/zinc/81/77/48/619817748.db2.gz DIHJOWXGHAQLCD-KRWDZBQOSA-N 2 1 312.461 3.057 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cccc3c2CCOC3)CCC1 ZINC000903812115 619818165 /nfs/dbraw/zinc/81/81/65/619818165.db2.gz QELMJKIPOIMLJV-LJQANCHMSA-N 2 1 314.473 3.243 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000903843601 619822851 /nfs/dbraw/zinc/82/28/51/619822851.db2.gz OFSUBICFZGAGQM-UBHSHLNASA-N 2 1 301.821 3.200 20 0 DGADMP COCC[N@@H+](CCCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888419 619826273 /nfs/dbraw/zinc/82/62/73/619826273.db2.gz BTZVCDSJSLCPMB-IHWFROFDSA-N 2 1 316.489 3.098 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878703 619827847 /nfs/dbraw/zinc/82/78/47/619827847.db2.gz WSIKSQAOKFLTSJ-SFESLNEESA-N 2 1 308.853 3.311 20 0 DGADMP c1cc2n(c1)CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@H]2c1ccccc1 ZINC000903883869 619827894 /nfs/dbraw/zinc/82/78/94/619827894.db2.gz LCAACUDKZUJCFG-VZKPYBMVSA-N 2 1 321.468 3.424 20 0 DGADMP CCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000903895913 619829698 /nfs/dbraw/zinc/82/96/98/619829698.db2.gz RSQVABVTNPXKRT-PXDPFURRSA-N 2 1 306.494 3.043 20 0 DGADMP Cc1cnc(C(C)(C)[NH2+]Cc2cccc3c2CC[NH2+]C3)s1 ZINC000903902866 619831722 /nfs/dbraw/zinc/83/17/22/619831722.db2.gz ORTAAHUDHQKVAB-UHFFFAOYSA-N 2 1 301.459 3.122 20 0 DGADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903902504 619831838 /nfs/dbraw/zinc/83/18/38/619831838.db2.gz IBURTFQQMKNXHX-DOMZBBRYSA-N 2 1 312.379 3.495 20 0 DGADMP Clc1cccc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903908887 619833210 /nfs/dbraw/zinc/83/32/10/619833210.db2.gz ANSCHZPEQGOVFH-ZKVVCRCRSA-N 2 1 320.864 3.244 20 0 DGADMP Clc1cccc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903908887 619833212 /nfs/dbraw/zinc/83/32/12/619833212.db2.gz ANSCHZPEQGOVFH-ZKVVCRCRSA-N 2 1 320.864 3.244 20 0 DGADMP [NH3+][C@@H](C[NH2+]CCOc1ccccc1-c1ccccc1)CC(F)F ZINC000903923661 619834879 /nfs/dbraw/zinc/83/48/79/619834879.db2.gz ZSMFZPHACLNXLL-OAHLLOKOSA-N 2 1 320.383 3.305 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957302 619838977 /nfs/dbraw/zinc/83/89/77/619838977.db2.gz PRSIMQSVOQRHHW-CYBMUJFWSA-N 2 1 322.321 3.348 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC([NH3+])(CC)CC2)cc1OC ZINC000903947463 619843649 /nfs/dbraw/zinc/84/36/49/619843649.db2.gz VRWWKSFZGGUYBQ-UHFFFAOYSA-N 2 1 306.450 3.187 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903954013 619846132 /nfs/dbraw/zinc/84/61/32/619846132.db2.gz NPZYHGPLTLANOT-MGNMYUMUSA-N 2 1 319.518 3.237 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000903955570 619846429 /nfs/dbraw/zinc/84/64/29/619846429.db2.gz WBMMLAAWPBJPHZ-INIZCTEOSA-N 2 1 317.383 3.083 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000903955025 619846585 /nfs/dbraw/zinc/84/65/85/619846585.db2.gz YKEPGBONCXJDOJ-CWRNSKLLSA-N 2 1 307.507 3.094 20 0 DGADMP COc1ccc2cc(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)ccc2c1 ZINC000903955519 619846663 /nfs/dbraw/zinc/84/66/63/619846663.db2.gz UFMKSALFNZGXQP-MRXNPFEDSA-N 2 1 320.383 3.183 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904305261 619911222 /nfs/dbraw/zinc/91/12/22/619911222.db2.gz JEYPIDLJRQVJJB-LJQANCHMSA-N 2 1 301.478 3.108 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904305261 619911225 /nfs/dbraw/zinc/91/12/25/619911225.db2.gz JEYPIDLJRQVJJB-LJQANCHMSA-N 2 1 301.478 3.108 20 0 DGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308047 619911862 /nfs/dbraw/zinc/91/18/62/619911862.db2.gz KFTVIBKRGUQEDC-OTVXOJSOSA-N 2 1 311.267 3.397 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000904327292 619913764 /nfs/dbraw/zinc/91/37/64/619913764.db2.gz BWDLLLPGXJLMRJ-NQYYFHDYSA-N 2 1 302.462 3.092 20 0 DGADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1(c2ccc(Br)cc2)CC1 ZINC000904340577 619914461 /nfs/dbraw/zinc/91/44/61/619914461.db2.gz JPMGKYVSHWUSQK-JNSHFYNHSA-N 2 1 323.278 3.150 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000904346804 619915295 /nfs/dbraw/zinc/91/52/95/619915295.db2.gz ZKMXUCQIWHFATM-LOWVWBTDSA-N 2 1 315.244 3.184 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1c(F)cccc1F ZINC000904389573 619917536 /nfs/dbraw/zinc/91/75/36/619917536.db2.gz NQHLFEQZBDNYRM-LBPRGKRZSA-N 2 1 302.368 3.461 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CCC[NH2+]C1 ZINC000904376660 619918268 /nfs/dbraw/zinc/91/82/68/619918268.db2.gz WOSOGMZYFDPFDH-LWYYNNOASA-N 2 1 314.473 3.371 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000904405418 619920168 /nfs/dbraw/zinc/92/01/68/619920168.db2.gz HVEWSYZFBCRHDD-SNVBAGLBSA-N 2 1 304.768 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000904410814 619920402 /nfs/dbraw/zinc/92/04/02/619920402.db2.gz ISMBCWGYEOBGGI-GHMZBOCLSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1C[NH3+] ZINC000904411066 619920594 /nfs/dbraw/zinc/92/05/94/619920594.db2.gz JKLBRQIACDIPSQ-RYUDHWBXSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1C[NH3+] ZINC000904412428 619921141 /nfs/dbraw/zinc/92/11/41/619921141.db2.gz VRDZGUVKAIMAKT-WMLDXEAASA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C[NH3+] ZINC000904412683 619921192 /nfs/dbraw/zinc/92/11/92/619921192.db2.gz WFVKKPPRYZZFKM-WDEREUQCSA-N 2 1 304.331 3.261 20 0 DGADMP c1ccc(OC2CCCC2)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421219 619922217 /nfs/dbraw/zinc/92/22/17/619922217.db2.gz UFLCVXWJGCWBQP-DOTOQJQBSA-N 2 1 300.446 3.049 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000905047606 619966060 /nfs/dbraw/zinc/96/60/60/619966060.db2.gz UEYISFAUXIJUNM-PKOBYXMFSA-N 2 1 304.478 3.273 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000841100224 620450009 /nfs/dbraw/zinc/45/00/09/620450009.db2.gz HEWBQHGECSAUPS-IBGZPJMESA-N 2 1 320.477 3.195 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000841100224 620450010 /nfs/dbraw/zinc/45/00/10/620450010.db2.gz HEWBQHGECSAUPS-IBGZPJMESA-N 2 1 320.477 3.195 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000755001219 620600419 /nfs/dbraw/zinc/60/04/19/620600419.db2.gz FGOLJIAQHXARCB-UHFFFAOYSA-N 2 1 318.505 3.319 20 0 DGADMP CC1(C)CC([NH2+]Cc2cnn(CC3CCC3)c2)CC(C)(C)[NH2+]1 ZINC000921493866 620858577 /nfs/dbraw/zinc/85/85/77/620858577.db2.gz XFDKNSASRYMAOV-UHFFFAOYSA-N 2 1 304.482 3.082 20 0 DGADMP CC1(C)CC([NH2+]Cc2nccc3c2CCCC3)CC(C)(C)[NH2+]1 ZINC000921492838 620858795 /nfs/dbraw/zinc/85/87/95/620858795.db2.gz BIIQUIOUCPYONX-UHFFFAOYSA-N 2 1 301.478 3.359 20 0 DGADMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(C2CCCC2)n1 ZINC000921509673 620878025 /nfs/dbraw/zinc/87/80/25/620878025.db2.gz RHJPTDMUCIXJQQ-UHFFFAOYSA-N 2 1 304.482 3.043 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921537981 620904007 /nfs/dbraw/zinc/90/40/07/620904007.db2.gz SYFVYUWVYPKOLM-HZPDHXFCSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921536521 620904552 /nfs/dbraw/zinc/90/45/52/620904552.db2.gz JHTIYHFENKARIT-ZWJWXYIHSA-N 2 1 308.510 3.149 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921549601 620907171 /nfs/dbraw/zinc/90/71/71/620907171.db2.gz ZXIYYGVPOJHYLZ-KRWDZBQOSA-N 2 1 311.429 3.305 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921915606 620968266 /nfs/dbraw/zinc/96/82/66/620968266.db2.gz VINRUGSTLKENHZ-YDZRNGNQSA-N 2 1 308.510 3.149 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921968868 620975045 /nfs/dbraw/zinc/97/50/45/620975045.db2.gz OKIUUMDJLRCKIQ-UHFFFAOYSA-N 2 1 309.413 3.225 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921979585 620975740 /nfs/dbraw/zinc/97/57/40/620975740.db2.gz GSNCATKCZRSOGJ-QAPCUYQASA-N 2 1 314.473 3.364 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921979585 620975742 /nfs/dbraw/zinc/97/57/42/620975742.db2.gz GSNCATKCZRSOGJ-QAPCUYQASA-N 2 1 314.473 3.364 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000922078883 620986109 /nfs/dbraw/zinc/98/61/09/620986109.db2.gz YLCWGLCBUFMFCS-SFHVURJKSA-N 2 1 324.472 3.220 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000922078883 620986112 /nfs/dbraw/zinc/98/61/12/620986112.db2.gz YLCWGLCBUFMFCS-SFHVURJKSA-N 2 1 324.472 3.220 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCCC3)C2)ccn1 ZINC000856552064 621004513 /nfs/dbraw/zinc/00/45/13/621004513.db2.gz GNKBONMKZMTWAF-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000856552064 621004516 /nfs/dbraw/zinc/00/45/16/621004516.db2.gz GNKBONMKZMTWAF-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000856552064 621004518 /nfs/dbraw/zinc/00/45/18/621004518.db2.gz GNKBONMKZMTWAF-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP CC[C@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558950 621004831 /nfs/dbraw/zinc/00/48/31/621004831.db2.gz LZEKWUBWHSCMOG-QFBILLFUSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558950 621004834 /nfs/dbraw/zinc/00/48/34/621004834.db2.gz LZEKWUBWHSCMOG-QFBILLFUSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558950 621004837 /nfs/dbraw/zinc/00/48/37/621004837.db2.gz LZEKWUBWHSCMOG-QFBILLFUSA-N 2 1 319.493 3.421 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)CC(C)C)C2)ccn1 ZINC000856584386 621006047 /nfs/dbraw/zinc/00/60/47/621006047.db2.gz IYYRPTDOVZXZKN-APWZRJJASA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)CC(C)C)C2)ccn1 ZINC000856584386 621006049 /nfs/dbraw/zinc/00/60/49/621006049.db2.gz IYYRPTDOVZXZKN-APWZRJJASA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)CC(C)C)C2)ccn1 ZINC000856584386 621006055 /nfs/dbraw/zinc/00/60/55/621006055.db2.gz IYYRPTDOVZXZKN-APWZRJJASA-N 2 1 319.493 3.421 20 0 DGADMP CCCCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584907 621006090 /nfs/dbraw/zinc/00/60/90/621006090.db2.gz UOZQKXSLUXAMEN-SFHVURJKSA-N 2 1 305.466 3.177 20 0 DGADMP CCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584907 621006093 /nfs/dbraw/zinc/00/60/93/621006093.db2.gz UOZQKXSLUXAMEN-SFHVURJKSA-N 2 1 305.466 3.177 20 0 DGADMP CCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584907 621006096 /nfs/dbraw/zinc/00/60/96/621006096.db2.gz UOZQKXSLUXAMEN-SFHVURJKSA-N 2 1 305.466 3.177 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCCF)C2)ccn1 ZINC000856605738 621007101 /nfs/dbraw/zinc/00/71/01/621007101.db2.gz YMUOCPSHFWPYJB-GOSISDBHSA-N 2 1 323.456 3.125 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCCF)C2)ccn1 ZINC000856605738 621007104 /nfs/dbraw/zinc/00/71/04/621007104.db2.gz YMUOCPSHFWPYJB-GOSISDBHSA-N 2 1 323.456 3.125 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCF)C2)ccn1 ZINC000856605738 621007108 /nfs/dbraw/zinc/00/71/08/621007108.db2.gz YMUOCPSHFWPYJB-GOSISDBHSA-N 2 1 323.456 3.125 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C3CCCC3)C2)ccn1 ZINC000856603184 621007553 /nfs/dbraw/zinc/00/75/53/621007553.db2.gz DDCWITUGYXTVBR-IBGZPJMESA-N 2 1 317.477 3.318 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C3CCCC3)C2)ccn1 ZINC000856603184 621007555 /nfs/dbraw/zinc/00/75/55/621007555.db2.gz DDCWITUGYXTVBR-IBGZPJMESA-N 2 1 317.477 3.318 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C3CCCC3)C2)ccn1 ZINC000856603184 621007559 /nfs/dbraw/zinc/00/75/59/621007559.db2.gz DDCWITUGYXTVBR-IBGZPJMESA-N 2 1 317.477 3.318 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C)c3)C2)[C@@H]1C(C)C ZINC000922395544 621032960 /nfs/dbraw/zinc/03/29/60/621032960.db2.gz SVDAZZSMIGQSSY-ZJPYXAASSA-N 2 1 322.518 3.016 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857847310 621121735 /nfs/dbraw/zinc/12/17/35/621121735.db2.gz MTYXTKFXNZOFIF-SFHVURJKSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847310 621121745 /nfs/dbraw/zinc/12/17/45/621121745.db2.gz MTYXTKFXNZOFIF-SFHVURJKSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847310 621121748 /nfs/dbraw/zinc/12/17/48/621121748.db2.gz MTYXTKFXNZOFIF-SFHVURJKSA-N 2 1 312.461 3.417 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCCC1 ZINC000857901888 621129229 /nfs/dbraw/zinc/12/92/29/621129229.db2.gz NTPJDRWYEQTGII-HIFRSBDPSA-N 2 1 307.869 3.434 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857905082 621130208 /nfs/dbraw/zinc/13/02/08/621130208.db2.gz XNHOUXVBCYTNPH-RISCZKNCSA-N 2 1 304.825 3.153 20 0 DGADMP C[N@H+]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000858115760 621154446 /nfs/dbraw/zinc/15/44/46/621154446.db2.gz KQUFSUCGEFXTLF-LJQANCHMSA-N 2 1 321.553 3.494 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000858117110 621154793 /nfs/dbraw/zinc/15/47/93/621154793.db2.gz ABLVCUYXDSVCAT-OAHLLOKOSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000858117110 621154794 /nfs/dbraw/zinc/15/47/94/621154794.db2.gz ABLVCUYXDSVCAT-OAHLLOKOSA-N 2 1 319.449 3.284 20 0 DGADMP C[N@H+]1CCCC[C@H](CNCc2ccnc(Cl)c2Cl)C1 ZINC000858245665 621167630 /nfs/dbraw/zinc/16/76/30/621167630.db2.gz LNVOFEZOBBYOQB-LLVKDONJSA-N 2 1 302.249 3.210 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CC1)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000923307114 621173893 /nfs/dbraw/zinc/17/38/93/621173893.db2.gz UYAJJKJBWJOIKM-UHFFFAOYSA-N 2 1 312.461 3.083 20 0 DGADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000923313384 621174366 /nfs/dbraw/zinc/17/43/66/621174366.db2.gz GNFRCNRIUUATKJ-HHNIUTBGSA-N 2 1 320.521 3.433 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316734 621174860 /nfs/dbraw/zinc/17/48/60/621174860.db2.gz NFYQASANPIPDPF-JJRVBVJISA-N 2 1 322.880 3.142 20 0 DGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923370712 621179219 /nfs/dbraw/zinc/17/92/19/621179219.db2.gz JLJURESQMMAODP-FBVQUNGASA-N 2 1 316.493 3.351 20 0 DGADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923391660 621180698 /nfs/dbraw/zinc/18/06/98/621180698.db2.gz ZIYOEKZKVVYQLW-VHTWMCFQSA-N 2 1 306.494 3.188 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000923480480 621187336 /nfs/dbraw/zinc/18/73/36/621187336.db2.gz HKVOPWVJDWLHSD-MRXNPFEDSA-N 2 1 315.486 3.099 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000923484173 621187510 /nfs/dbraw/zinc/18/75/10/621187510.db2.gz XJVAUOBEFCHQDK-CYBMUJFWSA-N 2 1 319.836 3.474 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@H]1C[NH3+] ZINC000923496560 621187948 /nfs/dbraw/zinc/18/79/48/621187948.db2.gz ATJLRCUPXIQUFF-YPMHNXCESA-N 2 1 321.371 3.037 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1C[NH3+] ZINC000923497490 621188520 /nfs/dbraw/zinc/18/85/20/621188520.db2.gz MJCKRKRTKZYPKZ-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497859 621188776 /nfs/dbraw/zinc/18/87/76/621188776.db2.gz MUDNAMVYFAHWDN-ZYHUDNBSSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500281 621189337 /nfs/dbraw/zinc/18/93/37/621189337.db2.gz WGGHAEZUZNHBHB-MBNYWOFBSA-N 2 1 311.267 3.427 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499869 621189449 /nfs/dbraw/zinc/18/94/49/621189449.db2.gz MTOFTHKOXYPCJU-WCQYABFASA-N 2 1 305.447 3.128 20 0 DGADMP Cc1csc(C[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923551349 621193464 /nfs/dbraw/zinc/19/34/64/621193464.db2.gz NHRJSCCQPMRYHM-YNBOMUFVSA-N 2 1 319.518 3.237 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nc(-c2cccs2)no1 ZINC000923555247 621194032 /nfs/dbraw/zinc/19/40/32/621194032.db2.gz RZWCRGDOLMCBPS-UHFFFAOYSA-N 2 1 320.462 3.010 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCCCn2cccn2)cc1 ZINC000859213989 621261163 /nfs/dbraw/zinc/26/11/63/621261163.db2.gz DPDVFVAKDAFBFD-UHFFFAOYSA-N 2 1 314.477 3.247 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(Cl)cn1 ZINC000859997598 621353827 /nfs/dbraw/zinc/35/38/27/621353827.db2.gz UCPVXVDEDUWDJI-UHFFFAOYSA-N 2 1 318.852 3.214 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(Cl)cn1 ZINC000859997598 621353831 /nfs/dbraw/zinc/35/38/31/621353831.db2.gz UCPVXVDEDUWDJI-UHFFFAOYSA-N 2 1 318.852 3.214 20 0 DGADMP COc1cc(C)c([C@@H](C)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000753664402 621458375 /nfs/dbraw/zinc/45/83/75/621458375.db2.gz JYAQZHNNGBEAHF-NVXWUHKLSA-N 2 1 302.462 3.447 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)C(C)(C)C)C2)CC1 ZINC000753709202 621461178 /nfs/dbraw/zinc/46/11/78/621461178.db2.gz HYAMNNLOBJSQHM-KRWDZBQOSA-N 2 1 308.510 3.436 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)C(C)(C)C)C2)CC1 ZINC000753709202 621461180 /nfs/dbraw/zinc/46/11/80/621461180.db2.gz HYAMNNLOBJSQHM-KRWDZBQOSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000754794428 621533090 /nfs/dbraw/zinc/53/30/90/621533090.db2.gz JRWCYPSZPSLWIV-HBFSDRIKSA-N 2 1 313.489 3.180 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnc(F)c2C)c1 ZINC000862277354 621571015 /nfs/dbraw/zinc/57/10/15/621571015.db2.gz WURYEPKTSAFUSB-UHFFFAOYSA-N 2 1 301.409 3.271 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000863569210 621683889 /nfs/dbraw/zinc/68/38/89/621683889.db2.gz RJRRRICACABMMG-LBPRGKRZSA-N 2 1 304.356 3.143 20 0 DGADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000863646118 621693188 /nfs/dbraw/zinc/69/31/88/621693188.db2.gz BJGVXAYJRRNOFY-UHFFFAOYSA-N 2 1 324.774 3.027 20 0 DGADMP CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000759339087 621847069 /nfs/dbraw/zinc/84/70/69/621847069.db2.gz UHLGAZAVIDCXAQ-UXHICEINSA-N 2 1 316.489 3.404 20 0 DGADMP CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000759339087 621847072 /nfs/dbraw/zinc/84/70/72/621847072.db2.gz UHLGAZAVIDCXAQ-UXHICEINSA-N 2 1 316.489 3.404 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccccc1C ZINC000759738045 621886754 /nfs/dbraw/zinc/88/67/54/621886754.db2.gz LEBCOLRJBZZOGU-SFHVURJKSA-N 2 1 315.461 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccccc1C ZINC000759738045 621886757 /nfs/dbraw/zinc/88/67/57/621886757.db2.gz LEBCOLRJBZZOGU-SFHVURJKSA-N 2 1 315.461 3.200 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865405434 621911714 /nfs/dbraw/zinc/91/17/14/621911714.db2.gz ZSRZUDUUQDMQSS-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP CC(C)(C)Oc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000865411810 621913508 /nfs/dbraw/zinc/91/35/08/621913508.db2.gz HAIOQPSLWQVVIW-MRXNPFEDSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNCc1cn(C2CC2)cn1 ZINC000865413764 621914214 /nfs/dbraw/zinc/91/42/14/621914214.db2.gz WRUPJSFGVAXCBZ-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865413764 621914218 /nfs/dbraw/zinc/91/42/18/621914218.db2.gz WRUPJSFGVAXCBZ-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865413764 621914220 /nfs/dbraw/zinc/91/42/20/621914220.db2.gz WRUPJSFGVAXCBZ-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865428457 621918290 /nfs/dbraw/zinc/91/82/90/621918290.db2.gz VCLPKUKUIRIXQQ-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865428457 621918293 /nfs/dbraw/zinc/91/82/93/621918293.db2.gz VCLPKUKUIRIXQQ-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865438085 621921322 /nfs/dbraw/zinc/92/13/22/621921322.db2.gz ZIOAJKILCGPGCD-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865438085 621921325 /nfs/dbraw/zinc/92/13/25/621921325.db2.gz ZIOAJKILCGPGCD-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000865462482 621926751 /nfs/dbraw/zinc/92/67/51/621926751.db2.gz MNAXPRCKACZUSM-KRWDZBQOSA-N 2 1 322.880 3.381 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000865484248 621932469 /nfs/dbraw/zinc/93/24/69/621932469.db2.gz VFPBWQDMKFRGTG-UHFFFAOYSA-N 2 1 319.468 3.388 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865483893 621932721 /nfs/dbraw/zinc/93/27/21/621932721.db2.gz SOWCKNCSUWTVQW-JKSUJKDBSA-N 2 1 301.409 3.336 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(OC(F)F)cc1F)C1CC1 ZINC000865595110 621958685 /nfs/dbraw/zinc/95/86/85/621958685.db2.gz AVADWRMVHQJFML-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660167 621973071 /nfs/dbraw/zinc/97/30/71/621973071.db2.gz JMHIOJQXFPKXJV-MAUKXSAKSA-N 2 1 313.420 3.078 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660167 621973073 /nfs/dbraw/zinc/97/30/73/621973073.db2.gz JMHIOJQXFPKXJV-MAUKXSAKSA-N 2 1 313.420 3.078 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000865874095 622013116 /nfs/dbraw/zinc/01/31/16/622013116.db2.gz QUOHKLYFCJNINQ-DKKFBQAASA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000865874095 622013117 /nfs/dbraw/zinc/01/31/17/622013117.db2.gz QUOHKLYFCJNINQ-DKKFBQAASA-N 2 1 304.478 3.179 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238228 622072939 /nfs/dbraw/zinc/07/29/39/622072939.db2.gz NSXLGBBBFDDXJF-NEPJUHHUSA-N 2 1 307.825 3.474 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238228 622072941 /nfs/dbraw/zinc/07/29/41/622072941.db2.gz NSXLGBBBFDDXJF-NEPJUHHUSA-N 2 1 307.825 3.474 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000866277469 622083444 /nfs/dbraw/zinc/08/34/44/622083444.db2.gz CSOMGBDLVPSGSZ-SFHVURJKSA-N 2 1 318.505 3.405 20 0 DGADMP CCOc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000762648951 622089422 /nfs/dbraw/zinc/08/94/22/622089422.db2.gz KEOQUTIPROXRHT-IAGOWNOFSA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000762648951 622089423 /nfs/dbraw/zinc/08/94/23/622089423.db2.gz KEOQUTIPROXRHT-IAGOWNOFSA-N 2 1 320.477 3.237 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866308655 622090253 /nfs/dbraw/zinc/09/02/53/622090253.db2.gz ZJBBBZGOXHLKRJ-HKUYNNGSSA-N 2 1 303.494 3.360 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000866535693 622134350 /nfs/dbraw/zinc/13/43/50/622134350.db2.gz WKZFRBGVYCYGNF-BARDWOONSA-N 2 1 304.400 3.451 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H](C)C1 ZINC000866543085 622135803 /nfs/dbraw/zinc/13/58/03/622135803.db2.gz REQUTCSGUZRDES-GJZGRUSLSA-N 2 1 320.468 3.394 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccnn1C ZINC000866613790 622147292 /nfs/dbraw/zinc/14/72/92/622147292.db2.gz WBADXGCGCPOOFN-HLLBOEOZSA-N 2 1 304.482 3.114 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000866634213 622150839 /nfs/dbraw/zinc/15/08/39/622150839.db2.gz CAKPGQWGDYBWJK-JKIFEVAISA-N 2 1 301.434 3.381 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000866635266 622151329 /nfs/dbraw/zinc/15/13/29/622151329.db2.gz OHBDPEVXXGKANV-ZMHJYQQXSA-N 2 1 316.489 3.321 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000866706122 622158658 /nfs/dbraw/zinc/15/86/58/622158658.db2.gz MHCVCHSKCCVIBZ-IBGZPJMESA-N 2 1 312.461 3.069 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000866706122 622158661 /nfs/dbraw/zinc/15/86/61/622158661.db2.gz MHCVCHSKCCVIBZ-IBGZPJMESA-N 2 1 312.461 3.069 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2cccs2)CC1 ZINC000122099664 622232297 /nfs/dbraw/zinc/23/22/97/622232297.db2.gz XCFPCBIUFGKGAA-UHFFFAOYSA-N 2 1 324.534 3.361 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765404354 622263514 /nfs/dbraw/zinc/26/35/14/622263514.db2.gz DPXDGTHRVVSPFW-FUHIMQAGSA-N 2 1 316.489 3.461 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000765486427 622267594 /nfs/dbraw/zinc/26/75/94/622267594.db2.gz YYQKJRVXHGJTNX-UHOSZYNNSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000765486427 622267595 /nfs/dbraw/zinc/26/75/95/622267595.db2.gz YYQKJRVXHGJTNX-UHOSZYNNSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000765796545 622287793 /nfs/dbraw/zinc/28/77/93/622287793.db2.gz MIYFMHFMHVZCAH-AABGKKOBSA-N 2 1 316.489 3.015 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000765796545 622287794 /nfs/dbraw/zinc/28/77/94/622287794.db2.gz MIYFMHFMHVZCAH-AABGKKOBSA-N 2 1 316.489 3.015 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(-c2ccccc2)c1 ZINC000766478813 622333063 /nfs/dbraw/zinc/33/30/63/622333063.db2.gz KZUHFCWPUUBDTN-IEZWGBDMSA-N 2 1 312.461 3.396 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cn1 ZINC000767354996 622392565 /nfs/dbraw/zinc/39/25/65/622392565.db2.gz OKVCYRSKECZZNZ-RBUKOAKNSA-N 2 1 318.424 3.469 20 0 DGADMP Cc1ccc(N2CC[N@H+](CC[C@@H]3CCC[NH+]3C)[C@@H](C)C2)cc1C ZINC000767416930 622397275 /nfs/dbraw/zinc/39/72/75/622397275.db2.gz ZIUYXRHZOKGSLX-OALUTQOASA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)[C@@H](C)C2)cc1C ZINC000767416930 622397278 /nfs/dbraw/zinc/39/72/78/622397278.db2.gz ZIUYXRHZOKGSLX-OALUTQOASA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)[C@@H](C)C2)cc1C ZINC000767416930 622397282 /nfs/dbraw/zinc/39/72/82/622397282.db2.gz ZIUYXRHZOKGSLX-OALUTQOASA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)[C@@H](C)C2)cc1C ZINC000767416930 622397285 /nfs/dbraw/zinc/39/72/85/622397285.db2.gz ZIUYXRHZOKGSLX-OALUTQOASA-N 2 1 315.505 3.298 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)cc1 ZINC000769313960 622516533 /nfs/dbraw/zinc/51/65/33/622516533.db2.gz AFNJYQNENIFIBS-UHFFFAOYSA-N 2 1 320.477 3.302 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872022225 622756232 /nfs/dbraw/zinc/75/62/32/622756232.db2.gz HXBIRYRCCXNCNT-KSZLIROESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(O)c1F ZINC000872022278 622756841 /nfs/dbraw/zinc/75/68/41/622756841.db2.gz WUMIWWWXHODKHE-CYBMUJFWSA-N 2 1 302.393 3.444 20 0 DGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000872033449 622765208 /nfs/dbraw/zinc/76/52/08/622765208.db2.gz HLVRUKYYXPOAQG-AWEZNQCLSA-N 2 1 322.415 3.342 20 0 DGADMP CC1(C)CCc2onc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2C1 ZINC000872142802 622832260 /nfs/dbraw/zinc/83/22/60/622832260.db2.gz DYMJOCKADKHNCT-MRXNPFEDSA-N 2 1 317.477 3.154 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872150129 622832538 /nfs/dbraw/zinc/83/25/38/622832538.db2.gz TXMNBHGLVZZUPT-LZWOXQAQSA-N 2 1 312.379 3.176 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000872148456 622833427 /nfs/dbraw/zinc/83/34/27/622833427.db2.gz PJLYGHDMNJBWLA-DZGCQCFKSA-N 2 1 316.367 3.012 20 0 DGADMP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155214 622834491 /nfs/dbraw/zinc/83/44/91/622834491.db2.gz NZJPLNKEDLBGAY-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000872155115 622835042 /nfs/dbraw/zinc/83/50/42/622835042.db2.gz LMEDIJCJQVTDEE-KRWDZBQOSA-N 2 1 319.493 3.390 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCCCCC[NH3+])CC2 ZINC000872155293 622836782 /nfs/dbraw/zinc/83/67/82/622836782.db2.gz QPXGBGMPESICKS-AWEZNQCLSA-N 2 1 306.450 3.142 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCCCCC[NH3+])CC2 ZINC000872155294 622836878 /nfs/dbraw/zinc/83/68/78/622836878.db2.gz QPXGBGMPESICKS-CQSZACIVSA-N 2 1 306.450 3.142 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000872155743 622837589 /nfs/dbraw/zinc/83/75/89/622837589.db2.gz VRHRQYIHYAIXKV-UHFFFAOYSA-N 2 1 322.403 3.101 20 0 DGADMP CCCc1noc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156406 622839093 /nfs/dbraw/zinc/83/90/93/622839093.db2.gz JDKZUMJEPJHCQR-GDBMZVCRSA-N 2 1 320.481 3.142 20 0 DGADMP CCCc1noc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156406 622839099 /nfs/dbraw/zinc/83/90/99/622839099.db2.gz JDKZUMJEPJHCQR-GDBMZVCRSA-N 2 1 320.481 3.142 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000872251775 622866903 /nfs/dbraw/zinc/86/69/03/622866903.db2.gz MOYCLIVDEADDKA-RTBURBONSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872251775 622866907 /nfs/dbraw/zinc/86/69/07/622866907.db2.gz MOYCLIVDEADDKA-RTBURBONSA-N 2 1 315.505 3.019 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC(C)(C)C)[C@H](C)C1 ZINC000772950241 622956611 /nfs/dbraw/zinc/95/66/11/622956611.db2.gz HENWGQTVFQUDIN-HZPDHXFCSA-N 2 1 316.555 3.245 20 0 DGADMP Cc1c(Cl)cnn1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000872744473 622965027 /nfs/dbraw/zinc/96/50/27/622965027.db2.gz WBOCEDWNWWPGSJ-UHFFFAOYSA-N 2 1 312.889 3.102 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCOC2=O)CC1)CC(C)C ZINC000773732578 623064344 /nfs/dbraw/zinc/06/43/44/623064344.db2.gz RTYOOIDKDQDDPI-GOSISDBHSA-N 2 1 324.509 3.020 20 0 DGADMP COc1cccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873201810 623073014 /nfs/dbraw/zinc/07/30/14/623073014.db2.gz XSYOLRXMKSITQS-UHFFFAOYSA-N 2 1 302.443 3.034 20 0 DGADMP COCC[N@@H+](Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200587 623073399 /nfs/dbraw/zinc/07/33/99/623073399.db2.gz GOBFGZZSBCWKMX-UHFFFAOYSA-N 2 1 322.499 3.104 20 0 DGADMP CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCCO1 ZINC000873205791 623074416 /nfs/dbraw/zinc/07/44/16/623074416.db2.gz XEBTWLAWJQAIEQ-HNNXBMFYSA-N 2 1 308.491 3.175 20 0 DGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206627 623074971 /nfs/dbraw/zinc/07/49/71/623074971.db2.gz CWWFVGZFMABCIK-ZIAGYGMSSA-N 2 1 310.532 3.500 20 0 DGADMP c1csc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CCCC2)n1 ZINC000873207688 623074998 /nfs/dbraw/zinc/07/49/98/623074998.db2.gz YXPHJYOWLJFGFH-UHFFFAOYSA-N 2 1 319.499 3.409 20 0 DGADMP c1c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000873208650 623076033 /nfs/dbraw/zinc/07/60/33/623076033.db2.gz ZOPWMMUVQUZWLF-ZBFHGGJFSA-N 2 1 308.516 3.254 20 0 DGADMP c1c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873212055 623077219 /nfs/dbraw/zinc/07/72/19/623077219.db2.gz FXTQNMWXAPUKBB-MRXNPFEDSA-N 2 1 314.454 3.047 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1C ZINC000873223571 623079773 /nfs/dbraw/zinc/07/97/73/623079773.db2.gz OAGHMURHFJLHGH-GOSISDBHSA-N 2 1 306.498 3.107 20 0 DGADMP CCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227088 623081361 /nfs/dbraw/zinc/08/13/61/623081361.db2.gz GPCRYIDQLAOYDM-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227088 623081368 /nfs/dbraw/zinc/08/13/68/623081368.db2.gz GPCRYIDQLAOYDM-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H](CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000873227633 623083039 /nfs/dbraw/zinc/08/30/39/623083039.db2.gz KFPWMEATMCDSPO-VHDGCEQUSA-N 2 1 300.368 3.249 20 0 DGADMP COc1cc(C[N@@H+](C)CCCCCC[NH3+])cc(Cl)c1OC ZINC000873231870 623084692 /nfs/dbraw/zinc/08/46/92/623084692.db2.gz XCFULUIMFVCAHB-UHFFFAOYSA-N 2 1 314.857 3.308 20 0 DGADMP Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232820 623085610 /nfs/dbraw/zinc/08/56/10/623085610.db2.gz YYUCZGIHNLJTQD-CZUORRHYSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232820 623085615 /nfs/dbraw/zinc/08/56/15/623085615.db2.gz YYUCZGIHNLJTQD-CZUORRHYSA-N 2 1 324.900 3.193 20 0 DGADMP CCn1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232698 623085927 /nfs/dbraw/zinc/08/59/27/623085927.db2.gz WTXVTCOBKVVIMR-YJBOKZPZSA-N 2 1 304.482 3.023 20 0 DGADMP Fc1ccc2onc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2c1 ZINC000873248759 623090927 /nfs/dbraw/zinc/09/09/27/623090927.db2.gz IDOHRIWDHNLQHM-CWRNSKLLSA-N 2 1 317.408 3.367 20 0 DGADMP C[C@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)[NH+](C)C ZINC000874435279 623270009 /nfs/dbraw/zinc/27/00/09/623270009.db2.gz QKGOUNMQFPIEAG-CQSZACIVSA-N 2 1 314.433 3.345 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000775953892 623357188 /nfs/dbraw/zinc/35/71/88/623357188.db2.gz CPVYLOQFMXTFBW-YLJYHZDGSA-N 2 1 316.489 3.098 20 0 DGADMP CC[NH+](CC)CCOc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000777545474 623539406 /nfs/dbraw/zinc/53/94/06/623539406.db2.gz SIIVYIZYTNWRLP-AEFFLSMTSA-N 2 1 319.493 3.302 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(Cl)nn2)c1 ZINC000876943559 623751366 /nfs/dbraw/zinc/75/13/66/623751366.db2.gz RUHNLWYVIQTOJG-UHFFFAOYSA-N 2 1 318.852 3.262 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC[P@@](C)(=O)OCC)C1 ZINC000876963893 623756620 /nfs/dbraw/zinc/75/66/20/623756620.db2.gz JYXDCGBRHSVVMZ-MDOVXXIYSA-N 2 1 304.415 3.031 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877073542 623783992 /nfs/dbraw/zinc/78/39/92/623783992.db2.gz NFTCOKZLLPFMCK-RYUDHWBXSA-N 2 1 307.825 3.444 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877137781 623802844 /nfs/dbraw/zinc/80/28/44/623802844.db2.gz BNJLRQMEBIGDSY-UHFFFAOYSA-N 2 1 307.850 3.301 20 0 DGADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877142573 623804804 /nfs/dbraw/zinc/80/48/04/623804804.db2.gz SXDIPVSXWNYEEB-QUCCMNQESA-N 2 1 315.505 3.286 20 0 DGADMP OC1CC(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877477329 623901055 /nfs/dbraw/zinc/90/10/55/623901055.db2.gz ASWKBNKWXKEGSG-LJEHDCINSA-N 2 1 314.473 3.105 20 0 DGADMP OC1CC(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877477329 623901062 /nfs/dbraw/zinc/90/10/62/623901062.db2.gz ASWKBNKWXKEGSG-LJEHDCINSA-N 2 1 314.473 3.105 20 0 DGADMP CCOP(=O)(CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1)OCC ZINC000877478041 623902365 /nfs/dbraw/zinc/90/23/65/623902365.db2.gz KSVYGXFFPUZVDQ-HNNXBMFYSA-N 2 1 320.414 3.059 20 0 DGADMP CC(C)C[N@H+](Cc1cn2ccccc2n1)CC1CC[NH+](C)CC1 ZINC000877767551 624028718 /nfs/dbraw/zinc/02/87/18/624028718.db2.gz NDUYAHWPBFGTGE-UHFFFAOYSA-N 2 1 314.477 3.134 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@]34CCCO4)CC2)cc1 ZINC000877870785 624076257 /nfs/dbraw/zinc/07/62/57/624076257.db2.gz FPDVJQCSBBCWHM-VQTJNVASSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000878163556 624196182 /nfs/dbraw/zinc/19/61/82/624196182.db2.gz UIWKNWDTYMKXAI-OWYHZJEWSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC[N@H+]1C ZINC000878163556 624196184 /nfs/dbraw/zinc/19/61/84/624196184.db2.gz UIWKNWDTYMKXAI-OWYHZJEWSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163556 624196185 /nfs/dbraw/zinc/19/61/85/624196185.db2.gz UIWKNWDTYMKXAI-OWYHZJEWSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163556 624196187 /nfs/dbraw/zinc/19/61/87/624196187.db2.gz UIWKNWDTYMKXAI-OWYHZJEWSA-N 2 1 302.462 3.321 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878236408 624223323 /nfs/dbraw/zinc/22/33/23/624223323.db2.gz XBMCTQWRJJVKKT-MOPGFXCFSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H]1C[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000878246800 624225869 /nfs/dbraw/zinc/22/58/69/624225869.db2.gz UUHFMCKXZPKSCH-IZAXUBKRSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000878246800 624225870 /nfs/dbraw/zinc/22/58/70/624225870.db2.gz UUHFMCKXZPKSCH-IZAXUBKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCOC(F)(F)F)cc1 ZINC000878314871 624244077 /nfs/dbraw/zinc/24/40/77/624244077.db2.gz YUMINTLAYUZNRJ-UHFFFAOYSA-N 2 1 304.356 3.107 20 0 DGADMP Cc1conc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878338203 624248832 /nfs/dbraw/zinc/24/88/32/624248832.db2.gz YMPGPWHCCVBOPE-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878512894 624294917 /nfs/dbraw/zinc/29/49/17/624294917.db2.gz SSTGQXFBJFQFKG-INIZCTEOSA-N 2 1 305.466 3.117 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878512894 624294918 /nfs/dbraw/zinc/29/49/18/624294918.db2.gz SSTGQXFBJFQFKG-INIZCTEOSA-N 2 1 305.466 3.117 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878512128 624295378 /nfs/dbraw/zinc/29/53/78/624295378.db2.gz LQSCKXPMJBHTKT-INIZCTEOSA-N 2 1 305.466 3.259 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878512128 624295379 /nfs/dbraw/zinc/29/53/79/624295379.db2.gz LQSCKXPMJBHTKT-INIZCTEOSA-N 2 1 305.466 3.259 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000878550282 624305374 /nfs/dbraw/zinc/30/53/74/624305374.db2.gz YSNNTGMMZMNMKK-MRXNPFEDSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)CC1 ZINC000878722281 624348120 /nfs/dbraw/zinc/34/81/20/624348120.db2.gz SAWHCKAONJFDQP-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCOCC)cc2)CC1 ZINC000783431034 624349654 /nfs/dbraw/zinc/34/96/54/624349654.db2.gz VTEVOLOXABGFGC-UHFFFAOYSA-N 2 1 320.477 3.366 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCOCC)cc2)CC1 ZINC000783431034 624349658 /nfs/dbraw/zinc/34/96/58/624349658.db2.gz VTEVOLOXABGFGC-UHFFFAOYSA-N 2 1 320.477 3.366 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489791 624357357 /nfs/dbraw/zinc/35/73/57/624357357.db2.gz FULKWYINZFOVMS-SFHVURJKSA-N 2 1 320.477 3.223 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489791 624357360 /nfs/dbraw/zinc/35/73/60/624357360.db2.gz FULKWYINZFOVMS-SFHVURJKSA-N 2 1 320.477 3.223 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489791 624357369 /nfs/dbraw/zinc/35/73/69/624357369.db2.gz FULKWYINZFOVMS-SFHVURJKSA-N 2 1 320.477 3.223 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489791 624357372 /nfs/dbraw/zinc/35/73/72/624357372.db2.gz FULKWYINZFOVMS-SFHVURJKSA-N 2 1 320.477 3.223 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2ccccc2C)CC1 ZINC000879206848 624451066 /nfs/dbraw/zinc/45/10/66/624451066.db2.gz WUBINBQYAOQASK-LJQANCHMSA-N 2 1 316.489 3.369 20 0 DGADMP O[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000879245189 624460001 /nfs/dbraw/zinc/46/00/01/624460001.db2.gz JBTNHLARQDCGGP-RBUKOAKNSA-N 2 1 302.462 3.060 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncc(C(C)(C)C)o1)CC2 ZINC000879247770 624464011 /nfs/dbraw/zinc/46/40/11/624464011.db2.gz FMSQRZPIUDDIOH-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C ZINC000879573124 624596036 /nfs/dbraw/zinc/59/60/36/624596036.db2.gz UGNHDZCTKNIMRF-IEBWSBKVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC000879573124 624596041 /nfs/dbraw/zinc/59/60/41/624596041.db2.gz UGNHDZCTKNIMRF-IEBWSBKVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC000879573124 624596043 /nfs/dbraw/zinc/59/60/43/624596043.db2.gz UGNHDZCTKNIMRF-IEBWSBKVSA-N 2 1 302.462 3.098 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580553 624599424 /nfs/dbraw/zinc/59/94/24/624599424.db2.gz UCMVBONCPZMKJU-FHWLQOOXSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580553 624599428 /nfs/dbraw/zinc/59/94/28/624599428.db2.gz UCMVBONCPZMKJU-FHWLQOOXSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580553 624599432 /nfs/dbraw/zinc/59/94/32/624599432.db2.gz UCMVBONCPZMKJU-FHWLQOOXSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580553 624599435 /nfs/dbraw/zinc/59/94/35/624599435.db2.gz UCMVBONCPZMKJU-FHWLQOOXSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000785601583 624696673 /nfs/dbraw/zinc/69/66/73/624696673.db2.gz KILMPAUQVJXJJV-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880097702 624785323 /nfs/dbraw/zinc/78/53/23/624785323.db2.gz AINHOIYRBJDDAL-GFCCVEGCSA-N 2 1 303.372 3.483 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)nc1 ZINC000880099357 624786408 /nfs/dbraw/zinc/78/64/08/624786408.db2.gz DEUBAINICWXRIM-LLVKDONJSA-N 2 1 312.339 3.117 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cccc(N)c2)CC1 ZINC000880254926 624871657 /nfs/dbraw/zinc/87/16/57/624871657.db2.gz SUBGFBCWOLLORH-UHFFFAOYSA-N 2 1 301.478 3.499 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cncc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000880261893 624876760 /nfs/dbraw/zinc/87/67/60/624876760.db2.gz ZQDDBTBOBPPVOB-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP Cc1ccccc1C(N)=NOCC[N@H+](C)Cc1ccc(F)cc1 ZINC000786731853 624949035 /nfs/dbraw/zinc/94/90/35/624949035.db2.gz GKRXRTLNLSSTKS-UHFFFAOYSA-N 2 1 315.392 3.113 20 0 DGADMP Cc1ccccc1C(N)=NOCCN(C)Cc1ccc(F)cc1 ZINC000786731853 624949038 /nfs/dbraw/zinc/94/90/38/624949038.db2.gz GKRXRTLNLSSTKS-UHFFFAOYSA-N 2 1 315.392 3.113 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CCC2(CC1)OCCO2 ZINC000880516903 624971386 /nfs/dbraw/zinc/97/13/86/624971386.db2.gz CZZPWNGXJDTJNU-UHFFFAOYSA-N 2 1 324.509 3.118 20 0 DGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc1 ZINC000787168603 624985440 /nfs/dbraw/zinc/98/54/40/624985440.db2.gz KIGCRIBWSWWQQM-UHFFFAOYSA-N 2 1 305.441 3.309 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c(OC)c1 ZINC000788471811 625188381 /nfs/dbraw/zinc/18/83/81/625188381.db2.gz UFWNFUIPYIUWGM-GOSISDBHSA-N 2 1 318.461 3.183 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000788479646 625193613 /nfs/dbraw/zinc/19/36/13/625193613.db2.gz YRJRMHPHTITZPY-QGZVFWFLSA-N 2 1 308.853 3.055 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883167467 625950929 /nfs/dbraw/zinc/95/09/29/625950929.db2.gz YWKYCZUGKOFMKQ-IBGZPJMESA-N 2 1 320.452 3.367 20 0 DGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883189222 625962103 /nfs/dbraw/zinc/96/21/03/625962103.db2.gz BMZXWVLVCVHZHE-NJAFHUGGSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000796670033 626071866 /nfs/dbraw/zinc/07/18/66/626071866.db2.gz AFLZOHXGUVRYQB-FGTMMUONSA-N 2 1 304.503 3.382 20 0 DGADMP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000796921814 626096449 /nfs/dbraw/zinc/09/64/49/626096449.db2.gz DFBVBAKQRAERKP-CGTJXYLNSA-N 2 1 305.441 3.172 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000798934576 626261121 /nfs/dbraw/zinc/26/11/21/626261121.db2.gz DFBXFINGEZSYHC-YSIASYRMSA-N 2 1 316.489 3.303 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@H](C)C1 ZINC000883322769 626647183 /nfs/dbraw/zinc/64/71/83/626647183.db2.gz UQCYZYCSFTYPHS-HVMFNXBNSA-N 2 1 308.510 3.292 20 0 DGADMP CCN1CC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000883354834 626658542 /nfs/dbraw/zinc/65/85/42/626658542.db2.gz CXADFVPXFIJZFS-SOAGJPPSSA-N 2 1 315.505 3.113 20 0 DGADMP Brc1ccccc1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000883415644 626677704 /nfs/dbraw/zinc/67/77/04/626677704.db2.gz BBMAKSWBIDRGDA-UHFFFAOYSA-N 2 1 323.278 3.208 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883424146 626679384 /nfs/dbraw/zinc/67/93/84/626679384.db2.gz IAHZNCDLIRDRAO-RTBURBONSA-N 2 1 302.462 3.371 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424371 626679412 /nfs/dbraw/zinc/67/94/12/626679412.db2.gz PMXLUMFGXYZTOR-ZRNYENFQSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429508 626679912 /nfs/dbraw/zinc/67/99/12/626679912.db2.gz XMKSCOLMYYVDKC-WTGUMLROSA-N 2 1 314.473 3.228 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429120 626680099 /nfs/dbraw/zinc/68/00/99/626680099.db2.gz MHGJWXYWEWPGEW-BRWVUGGUSA-N 2 1 308.510 3.292 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000883430142 626680657 /nfs/dbraw/zinc/68/06/57/626680657.db2.gz NUUWNQPIAYHXOU-WTGUMLROSA-N 2 1 314.473 3.371 20 0 DGADMP Cn1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000808384138 626819004 /nfs/dbraw/zinc/81/90/04/626819004.db2.gz BWUAJSHOLFJBRQ-UHFFFAOYSA-N 2 1 312.461 3.086 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)nc1 ZINC000809739464 626944122 /nfs/dbraw/zinc/94/41/22/626944122.db2.gz LOHLMYGPLJEJNJ-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000885924915 627061354 /nfs/dbraw/zinc/06/13/54/627061354.db2.gz YWDCJAXVCWVIPX-HUUCEWRRSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000885924915 627061356 /nfs/dbraw/zinc/06/13/56/627061356.db2.gz YWDCJAXVCWVIPX-HUUCEWRRSA-N 2 1 310.388 3.047 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000886008426 627082336 /nfs/dbraw/zinc/08/23/36/627082336.db2.gz MDBXSNLXIHAFFP-GQCTYLIASA-N 2 1 320.452 3.318 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000886103116 627105572 /nfs/dbraw/zinc/10/55/72/627105572.db2.gz ZCCLIMBDQWMKBB-SFHVURJKSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000886103116 627105575 /nfs/dbraw/zinc/10/55/75/627105575.db2.gz ZCCLIMBDQWMKBB-SFHVURJKSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127861 627109366 /nfs/dbraw/zinc/10/93/66/627109366.db2.gz VIJDXFWLJSXZJU-NWDGAFQWSA-N 2 1 310.429 3.482 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886624835 627175748 /nfs/dbraw/zinc/17/57/48/627175748.db2.gz AWZWICSUYUHDTM-YHDCXSKOSA-N 2 1 314.473 3.197 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000886629578 627176823 /nfs/dbraw/zinc/17/68/23/627176823.db2.gz ISMALMNNVUKDDZ-QYZOEREBSA-N 2 1 307.441 3.004 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000886629578 627176825 /nfs/dbraw/zinc/17/68/25/627176825.db2.gz ISMALMNNVUKDDZ-QYZOEREBSA-N 2 1 307.441 3.004 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCC4(CCC4)O3)CC2)[nH+]c1C ZINC000886659083 627182449 /nfs/dbraw/zinc/18/24/49/627182449.db2.gz CCYWYWNLMWNFES-INIZCTEOSA-N 2 1 303.450 3.308 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000887135179 627228093 /nfs/dbraw/zinc/22/80/93/627228093.db2.gz XSISTYCMPJSEBG-STQMWFEESA-N 2 1 314.260 3.176 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000887134621 627228162 /nfs/dbraw/zinc/22/81/62/627228162.db2.gz MTZKNJLEWNHTIN-AEFFLSMTSA-N 2 1 315.461 3.084 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850403 627429637 /nfs/dbraw/zinc/42/96/37/627429637.db2.gz MRTBKBLZXBSUHC-LPHOPBHVSA-N 2 1 315.461 3.416 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850403 627429638 /nfs/dbraw/zinc/42/96/38/627429638.db2.gz MRTBKBLZXBSUHC-LPHOPBHVSA-N 2 1 315.461 3.416 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1cc3ccccc3o1)CC2 ZINC000815079440 627623991 /nfs/dbraw/zinc/62/39/91/627623991.db2.gz SROJQIIASSWMRA-MRXNPFEDSA-N 2 1 314.429 3.026 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1cc3ccccc3o1)CC2 ZINC000815079440 627623995 /nfs/dbraw/zinc/62/39/95/627623995.db2.gz SROJQIIASSWMRA-MRXNPFEDSA-N 2 1 314.429 3.026 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924598765 627654951 /nfs/dbraw/zinc/65/49/51/627654951.db2.gz FYOPIGYWMCZTIV-MJGOQNOKSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924660149 627664514 /nfs/dbraw/zinc/66/45/14/627664514.db2.gz XECQMOTXDKESLX-MNZLEMJZSA-N 2 1 304.478 3.287 20 0 DGADMP C[C@H]1CC2(CC([NH2+]CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CO1 ZINC000924687529 627667133 /nfs/dbraw/zinc/66/71/33/627667133.db2.gz VLNKTENRTVKEAD-UWVFGXKGSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924685233 627667278 /nfs/dbraw/zinc/66/72/78/627667278.db2.gz HHYJDXVAEFROMW-NEWSRXKRSA-N 2 1 308.510 3.293 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000924684825 627667299 /nfs/dbraw/zinc/66/72/99/627667299.db2.gz GGMLNJVSZHXKKD-CVEARBPZSA-N 2 1 305.466 3.395 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924684896 627667515 /nfs/dbraw/zinc/66/75/15/627667515.db2.gz HBRXHNXHVKNQNC-NZSAHSFTSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000924687830 627667984 /nfs/dbraw/zinc/66/79/84/627667984.db2.gz QBAPKDMUYMYLPV-QRVBRYPASA-N 2 1 310.526 3.419 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924715756 627672126 /nfs/dbraw/zinc/67/21/26/627672126.db2.gz PNHCUWVYLAQDDS-OAHLLOKOSA-N 2 1 304.825 3.297 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1cnn(C2CCC2)c1)C[NH+]1CCCCC1 ZINC000924722286 627673655 /nfs/dbraw/zinc/67/36/55/627673655.db2.gz RDBVQNKXSIECPD-CVEARBPZSA-N 2 1 304.482 3.381 20 0 DGADMP O=C(OCCC[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445620 627673982 /nfs/dbraw/zinc/67/39/82/627673982.db2.gz DLBTUXGVDZQJNX-GOSISDBHSA-N 2 1 322.493 3.203 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755847 627676698 /nfs/dbraw/zinc/67/66/98/627676698.db2.gz XNPKAYAECSCXKG-WMZOPIPTSA-N 3 1 303.494 3.131 20 0 DGADMP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755847 627676701 /nfs/dbraw/zinc/67/67/01/627676701.db2.gz XNPKAYAECSCXKG-WMZOPIPTSA-N 2 1 303.494 3.131 20 0 DGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755847 627676703 /nfs/dbraw/zinc/67/67/03/627676703.db2.gz XNPKAYAECSCXKG-WMZOPIPTSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924750224 627676776 /nfs/dbraw/zinc/67/67/76/627676776.db2.gz DJUSBXHSLVOEJW-BPQIPLTHSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924750224 627676779 /nfs/dbraw/zinc/67/67/79/627676779.db2.gz DJUSBXHSLVOEJW-BPQIPLTHSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873422 627688937 /nfs/dbraw/zinc/68/89/37/627688937.db2.gz LDKCDGSFRCSATL-GJZGRUSLSA-N 2 1 316.474 3.101 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873422 627688941 /nfs/dbraw/zinc/68/89/41/627688941.db2.gz LDKCDGSFRCSATL-GJZGRUSLSA-N 2 1 316.474 3.101 20 0 DGADMP CSC1CC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000924939046 627695603 /nfs/dbraw/zinc/69/56/03/627695603.db2.gz PPEGIZKXNFHUCA-AOCRQIFASA-N 2 1 304.503 3.035 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)c1 ZINC000924958399 627698157 /nfs/dbraw/zinc/69/81/57/627698157.db2.gz KCVXWDFAMUZGAG-HNNXBMFYSA-N 2 1 315.465 3.162 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)c1 ZINC000924958399 627698158 /nfs/dbraw/zinc/69/81/58/627698158.db2.gz KCVXWDFAMUZGAG-HNNXBMFYSA-N 2 1 315.465 3.162 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1coc2ccccc21 ZINC000925024816 627701882 /nfs/dbraw/zinc/70/18/82/627701882.db2.gz XYEZHBQSHWYKMX-HOTGVXAUSA-N 2 1 316.445 3.320 20 0 DGADMP C[C@H](CC[NH2+]C1[C@H](C)COC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000925202591 627718456 /nfs/dbraw/zinc/71/84/56/627718456.db2.gz IJAROIQCJSNOCG-BRWVUGGUSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000925479855 627741018 /nfs/dbraw/zinc/74/10/18/627741018.db2.gz HMJDVIILHQORAK-IFXJQAMLSA-N 2 1 308.429 3.174 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000925494113 627742416 /nfs/dbraw/zinc/74/24/16/627742416.db2.gz NHHHTOPYNVXETF-BZUAXINKSA-N 2 1 321.534 3.381 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925527387 627747625 /nfs/dbraw/zinc/74/76/25/627747625.db2.gz NLIHEUVHEVDMPN-AITUJVMLSA-N 2 1 302.462 3.193 20 0 DGADMP c1ccc2c(c1)CCS[C@H]2C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925541364 627750802 /nfs/dbraw/zinc/75/08/02/627750802.db2.gz HPAQXXYTJDUBIC-IRXDYDNUSA-N 2 1 302.487 3.281 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C12CCC2 ZINC000925546728 627751862 /nfs/dbraw/zinc/75/18/62/627751862.db2.gz MOIPUPDCYYNMLW-IRXDYDNUSA-N 2 1 309.413 3.233 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925586504 627759026 /nfs/dbraw/zinc/75/90/26/627759026.db2.gz SSCQSIIPBDHHCW-JQFCIGGWSA-N 2 1 315.461 3.031 20 0 DGADMP COc1cccc2[nH]cc(CC[NH2+][C@@H](c3ccccc3)[C@@H](C)[NH3+])c21 ZINC000925629506 627765677 /nfs/dbraw/zinc/76/56/77/627765677.db2.gz NOCNDTVJRHVLIM-JLTOFOAXSA-N 2 1 323.440 3.397 20 0 DGADMP c1cc2c(nc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CCCC2 ZINC000925660724 627772479 /nfs/dbraw/zinc/77/24/79/627772479.db2.gz SYNFDCMWGKKQKZ-AZUAARDMSA-N 2 1 313.489 3.218 20 0 DGADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925686842 627776554 /nfs/dbraw/zinc/77/65/54/627776554.db2.gz XAIKKXZDYJPZGH-PVAVHDDUSA-N 2 1 301.478 3.245 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925687962 627776883 /nfs/dbraw/zinc/77/68/83/627776883.db2.gz CXVARUBVWOLUDR-UDDICAGYSA-N 2 1 310.441 3.477 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000925702512 627778690 /nfs/dbraw/zinc/77/86/90/627778690.db2.gz AZAJNPBJCHUMMS-OAQYLSRUSA-N 2 1 321.468 3.087 20 0 DGADMP Brc1ccc2oc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000925760581 627790428 /nfs/dbraw/zinc/79/04/28/627790428.db2.gz YRWXWSDBYYMLGQ-CYBMUJFWSA-N 2 1 323.234 3.427 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773585 627793007 /nfs/dbraw/zinc/79/30/07/627793007.db2.gz DSWKSRQFMUHSLO-QYZOEREBSA-N 2 1 314.473 3.419 20 0 DGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925783429 627794224 /nfs/dbraw/zinc/79/42/24/627794224.db2.gz OCLWCLLNHOOBME-GOEBONIOSA-N 2 1 324.415 3.352 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(F)c1 ZINC000925781985 627794438 /nfs/dbraw/zinc/79/44/38/627794438.db2.gz JQIAUIFJYVQWKP-GXSJLCMTSA-N 2 1 306.759 3.375 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000925782404 627794873 /nfs/dbraw/zinc/79/48/73/627794873.db2.gz LOTJJHLLGDDIJX-HZMBPMFUSA-N 2 1 300.780 3.162 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cnc2ccsc2c1 ZINC000925783454 627794907 /nfs/dbraw/zinc/79/49/07/627794907.db2.gz OSOGVFZCSGNUFA-JQWIXIFHSA-N 2 1 311.401 3.192 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000925788873 627795221 /nfs/dbraw/zinc/79/52/21/627795221.db2.gz CRBPQHSQBSFKRB-IPYPFGDCSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)no1 ZINC000925810514 627799079 /nfs/dbraw/zinc/79/90/79/627799079.db2.gz ALPPEQMQBLNEFE-UKRRQHHQSA-N 2 1 308.385 3.204 20 0 DGADMP COc1ccc2ccccc2c1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925829221 627801738 /nfs/dbraw/zinc/80/17/38/627801738.db2.gz NBFMIARCWNWQLB-IBGZPJMESA-N 2 1 310.441 3.265 20 0 DGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000925844169 627804847 /nfs/dbraw/zinc/80/48/47/627804847.db2.gz RBLLCVDXFRYZFJ-ATZDWAIDSA-N 2 1 310.445 3.055 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@@H]2C)CC1 ZINC000816649399 627820156 /nfs/dbraw/zinc/82/01/56/627820156.db2.gz YPHXKYXOJDMQRA-SJORKVTESA-N 2 1 301.478 3.059 20 0 DGADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000926118757 627847497 /nfs/dbraw/zinc/84/74/97/627847497.db2.gz BTRNAJCMBFBEPM-XEYPJELSSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118757 627847499 /nfs/dbraw/zinc/84/74/99/627847499.db2.gz BTRNAJCMBFBEPM-XEYPJELSSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118757 627847502 /nfs/dbraw/zinc/84/75/02/627847502.db2.gz BTRNAJCMBFBEPM-XEYPJELSSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118757 627847503 /nfs/dbraw/zinc/84/75/03/627847503.db2.gz BTRNAJCMBFBEPM-XEYPJELSSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118757 627847506 /nfs/dbraw/zinc/84/75/06/627847506.db2.gz BTRNAJCMBFBEPM-XEYPJELSSA-N 2 1 319.537 3.246 20 0 DGADMP CC(C)(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000926126436 627847861 /nfs/dbraw/zinc/84/78/61/627847861.db2.gz QAFHZAQLEHJYTR-RBUKOAKNSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnn1C1CCC1 ZINC000926171077 627854000 /nfs/dbraw/zinc/85/40/00/627854000.db2.gz OEYZFUSPWLCMEI-OAHLLOKOSA-N 2 1 304.482 3.381 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)cc1 ZINC000926204059 627861248 /nfs/dbraw/zinc/86/12/48/627861248.db2.gz QRGRBQYTNCYNOJ-IBGZPJMESA-N 2 1 306.413 3.045 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnn1C1CCC1 ZINC000926275163 627872662 /nfs/dbraw/zinc/87/26/62/627872662.db2.gz OASXIDJXKJUKJS-OAHLLOKOSA-N 2 1 304.482 3.381 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000926289102 627875370 /nfs/dbraw/zinc/87/53/70/627875370.db2.gz ZRNAGFWFRKKJLO-SJLPKXTDSA-N 2 1 302.462 3.073 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926324919 627880169 /nfs/dbraw/zinc/88/01/69/627880169.db2.gz HOINWYIOOIIMPF-HSFDUWRESA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)C2)CO1 ZINC000926352666 627883900 /nfs/dbraw/zinc/88/39/00/627883900.db2.gz XUOBRGWZBIFARE-ZJZKXORJSA-N 2 1 306.494 3.331 20 0 DGADMP CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926532524 627909621 /nfs/dbraw/zinc/90/96/21/627909621.db2.gz MLAALILFWBAKAJ-LSDHHAIUSA-N 2 1 300.450 3.376 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000926543270 627911628 /nfs/dbraw/zinc/91/16/28/627911628.db2.gz WACPNOJQUIUBIQ-FMJMRLDVSA-N 2 1 301.478 3.024 20 0 DGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000926543270 627911631 /nfs/dbraw/zinc/91/16/31/627911631.db2.gz WACPNOJQUIUBIQ-FMJMRLDVSA-N 2 1 301.478 3.024 20 0 DGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000926543270 627911633 /nfs/dbraw/zinc/91/16/33/627911633.db2.gz WACPNOJQUIUBIQ-FMJMRLDVSA-N 2 1 301.478 3.024 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C[NH+](C)C)c1 ZINC000926543270 627911636 /nfs/dbraw/zinc/91/16/36/627911636.db2.gz WACPNOJQUIUBIQ-FMJMRLDVSA-N 2 1 301.478 3.024 20 0 DGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926636473 627925354 /nfs/dbraw/zinc/92/53/54/627925354.db2.gz VXIRZKZQLKLJNR-XWIAVFTESA-N 2 1 313.445 3.287 20 0 DGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926636473 627925357 /nfs/dbraw/zinc/92/53/57/627925357.db2.gz VXIRZKZQLKLJNR-XWIAVFTESA-N 2 1 313.445 3.287 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752911 627946527 /nfs/dbraw/zinc/94/65/27/627946527.db2.gz DJYFFETYLXVBLM-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752911 627946534 /nfs/dbraw/zinc/94/65/34/627946534.db2.gz DJYFFETYLXVBLM-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752911 627946539 /nfs/dbraw/zinc/94/65/39/627946539.db2.gz DJYFFETYLXVBLM-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926778242 627951739 /nfs/dbraw/zinc/95/17/39/627951739.db2.gz OQAHRTLEYMLLCF-JOMPHRNESA-N 2 1 316.489 3.015 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccc1OC(C)C ZINC000817900389 627955973 /nfs/dbraw/zinc/95/59/73/627955973.db2.gz MPJXBTNUVWGDHH-CVEARBPZSA-N 2 1 306.450 3.232 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805221 627958119 /nfs/dbraw/zinc/95/81/19/627958119.db2.gz ORJNEFUEURLIBC-WMLDXEAASA-N 2 1 303.450 3.235 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805221 627958124 /nfs/dbraw/zinc/95/81/24/627958124.db2.gz ORJNEFUEURLIBC-WMLDXEAASA-N 2 1 303.450 3.235 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)C2)CO1 ZINC000926804527 627958458 /nfs/dbraw/zinc/95/84/58/627958458.db2.gz KNBSRYNLMLQRQM-ZJZKXORJSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)C2)CO1 ZINC000926804527 627958460 /nfs/dbraw/zinc/95/84/60/627958460.db2.gz KNBSRYNLMLQRQM-ZJZKXORJSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817914253 627960569 /nfs/dbraw/zinc/96/05/69/627960569.db2.gz XPPUJKTUZRPUMN-CAPXZKIUSA-N 2 1 302.443 3.295 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21)C1C[NH2+]C1 ZINC000817927013 627964005 /nfs/dbraw/zinc/96/40/05/627964005.db2.gz XPUNFIALOZGSEW-QPUJVOFHSA-N 2 1 301.217 3.015 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000817960942 627976224 /nfs/dbraw/zinc/97/62/24/627976224.db2.gz URJQCIFWBFBDIT-CQSZACIVSA-N 2 1 300.450 3.349 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817978873 627981262 /nfs/dbraw/zinc/98/12/62/627981262.db2.gz FWOFRSHTPOGYNF-YJBOKZPZSA-N 3 1 319.493 3.069 20 0 DGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000926923496 627982045 /nfs/dbraw/zinc/98/20/45/627982045.db2.gz QIYWZBZDYDNJGU-UHFFFAOYSA-N 2 1 302.437 3.464 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cnn1-c1ccccc1 ZINC000817983139 627983539 /nfs/dbraw/zinc/98/35/39/627983539.db2.gz YUVUKFFYIQWXPR-IFXJQAMLSA-N 2 1 312.461 3.349 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000927019278 627999148 /nfs/dbraw/zinc/99/91/48/627999148.db2.gz DUIFRXOIHYUBSW-HOJAQTOUSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000927019278 627999150 /nfs/dbraw/zinc/99/91/50/627999150.db2.gz DUIFRXOIHYUBSW-HOJAQTOUSA-N 2 1 316.489 3.495 20 0 DGADMP COC(OC)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000818196549 628003213 /nfs/dbraw/zinc/00/32/13/628003213.db2.gz YVPUGKDFGNQVEH-HZPDHXFCSA-N 2 1 324.440 3.080 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000818985114 628072981 /nfs/dbraw/zinc/07/29/81/628072981.db2.gz OIIUTPIDDHDCPS-PKOBYXMFSA-N 2 1 304.478 3.047 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccc(F)cc1F)C(C)C ZINC000819127040 628096676 /nfs/dbraw/zinc/09/66/76/628096676.db2.gz SYWXHHZANIUTGF-QGZVFWFLSA-N 2 1 314.420 3.097 20 0 DGADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)[nH+]c1 ZINC000819129150 628097320 /nfs/dbraw/zinc/09/73/20/628097320.db2.gz BIGFOXRQNLSCFJ-MRXNPFEDSA-N 2 1 319.836 3.169 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819285249 628127457 /nfs/dbraw/zinc/12/74/57/628127457.db2.gz ZMTSYHSJZBFXEQ-UXHICEINSA-N 2 1 318.505 3.285 20 0 DGADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000819361148 628141099 /nfs/dbraw/zinc/14/10/99/628141099.db2.gz HKGYBKFXVKISBA-FQEVSTJZSA-N 2 1 312.457 3.337 20 0 DGADMP CCC[NH+]1CCC(N[C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820805716 628298961 /nfs/dbraw/zinc/29/89/61/628298961.db2.gz QEGSKRJASYOYBN-MRXNPFEDSA-N 2 1 303.494 3.273 20 0 DGADMP CCCN1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820805716 628298964 /nfs/dbraw/zinc/29/89/64/628298964.db2.gz QEGSKRJASYOYBN-MRXNPFEDSA-N 2 1 303.494 3.273 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000821368209 628360337 /nfs/dbraw/zinc/36/03/37/628360337.db2.gz LZVIMMZATVNPDG-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000821736458 628393762 /nfs/dbraw/zinc/39/37/62/628393762.db2.gz FPXTYGHOLRIBLH-MSOLQXFVSA-N 2 1 315.461 3.047 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000822640312 628473949 /nfs/dbraw/zinc/47/39/49/628473949.db2.gz SIYLLBURXWKUGQ-KBPBESRZSA-N 2 1 305.293 3.378 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000822640312 628473950 /nfs/dbraw/zinc/47/39/50/628473950.db2.gz SIYLLBURXWKUGQ-KBPBESRZSA-N 2 1 305.293 3.378 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824968163 628711621 /nfs/dbraw/zinc/71/16/21/628711621.db2.gz AVZXHCMXVPKNRU-CYBMUJFWSA-N 2 1 302.249 3.211 20 0 DGADMP CC(C)(O)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000830376288 629260353 /nfs/dbraw/zinc/26/03/53/629260353.db2.gz WGSQIJBSUPRWCF-UHFFFAOYSA-N 2 1 302.462 3.021 20 0 DGADMP C[NH+](C)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000834915916 629808415 /nfs/dbraw/zinc/80/84/15/629808415.db2.gz UNDXWKSLSXBINL-UHFFFAOYSA-N 2 1 314.458 3.104 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841008729 630394960 /nfs/dbraw/zinc/39/49/60/630394960.db2.gz BCXYOEGEHLKBDY-RCCFBDPRSA-N 2 1 308.441 3.087 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841008729 630394961 /nfs/dbraw/zinc/39/49/61/630394961.db2.gz BCXYOEGEHLKBDY-RCCFBDPRSA-N 2 1 308.441 3.087 20 0 DGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H](c2ccc(F)cc2)O1 ZINC000842472633 630539598 /nfs/dbraw/zinc/53/95/98/630539598.db2.gz GVOMNGWCKNTSDA-YJBOKZPZSA-N 2 1 308.441 3.497 20 0 DGADMP Cc1cc([C@@H]2C[N@H+](CCCCCCC[NH3+])CCO2)ccc1F ZINC000842476299 630539786 /nfs/dbraw/zinc/53/97/86/630539786.db2.gz LHTMZWIMBMEVIX-SFHVURJKSA-N 2 1 308.441 3.417 20 0 DGADMP Cc1cc([C@@H]2C[N@@H+](CCCCCCC[NH3+])CCO2)ccc1F ZINC000842476299 630539788 /nfs/dbraw/zinc/53/97/88/630539788.db2.gz LHTMZWIMBMEVIX-SFHVURJKSA-N 2 1 308.441 3.417 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000842478469 630540234 /nfs/dbraw/zinc/54/02/34/630540234.db2.gz JCYAZEOGJYRVSI-QGZVFWFLSA-N 2 1 318.509 3.308 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(F)(F)CC2)cn1 ZINC000842670540 630561272 /nfs/dbraw/zinc/56/12/72/630561272.db2.gz IDGQLINNDZBVOE-UHFFFAOYSA-N 2 1 306.360 3.243 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000842706930 630566404 /nfs/dbraw/zinc/56/64/04/630566404.db2.gz HKNZCPODDOJRAS-VJNRDTIXSA-N 2 1 314.473 3.339 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000843048354 630608065 /nfs/dbraw/zinc/60/80/65/630608065.db2.gz KNHNBYBYTPRJSJ-KRWDZBQOSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000843048354 630608066 /nfs/dbraw/zinc/60/80/66/630608066.db2.gz KNHNBYBYTPRJSJ-KRWDZBQOSA-N 2 1 320.477 3.435 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CCC([NH3+])CC1 ZINC000843055438 630609300 /nfs/dbraw/zinc/60/93/00/630609300.db2.gz CDUKTORPQKTOEV-UHFFFAOYSA-N 2 1 302.340 3.129 20 0 DGADMP CCCCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000843057592 630609632 /nfs/dbraw/zinc/60/96/32/630609632.db2.gz DOUPEAWABAYBTC-IMJJTQAJSA-N 2 1 324.900 3.204 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000843057592 630609633 /nfs/dbraw/zinc/60/96/33/630609633.db2.gz DOUPEAWABAYBTC-IMJJTQAJSA-N 2 1 324.900 3.204 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000843065979 630610384 /nfs/dbraw/zinc/61/03/84/630610384.db2.gz ODVPTVLRBPEAKB-GVDBMIGSSA-N 2 1 322.518 3.416 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)oc21 ZINC000843125329 630616350 /nfs/dbraw/zinc/61/63/50/630616350.db2.gz SMWPEPKJNLYTJD-HOTGVXAUSA-N 2 1 314.429 3.263 20 0 DGADMP C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CCC([NH3+])CC1 ZINC000843352962 630648926 /nfs/dbraw/zinc/64/89/26/630648926.db2.gz OURJUERCXZITCD-UHFFFAOYSA-N 2 1 317.477 3.124 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])c2cc1C ZINC000843383369 630650881 /nfs/dbraw/zinc/65/08/81/630650881.db2.gz FUHJSMUAQQCTAX-MRXNPFEDSA-N 2 1 314.429 3.113 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000846219584 631215347 /nfs/dbraw/zinc/21/53/47/631215347.db2.gz CQUHEINRNNHLMN-PMACEKPBSA-N 3 1 317.521 3.178 20 0 DGADMP Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CC[NH2+]C2)c1 ZINC000846223255 631215660 /nfs/dbraw/zinc/21/56/60/631215660.db2.gz VGEACIWRLNAFFU-FPOVZHCZSA-N 2 1 324.468 3.140 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000846846277 631326183 /nfs/dbraw/zinc/32/61/83/631326183.db2.gz SEDTUWGVTLPIIL-LJQANCHMSA-N 2 1 313.445 3.110 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000846846276 631326289 /nfs/dbraw/zinc/32/62/89/631326289.db2.gz SEDTUWGVTLPIIL-IBGZPJMESA-N 2 1 313.445 3.110 20 0 DGADMP Cc1cccc(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848536655 631682690 /nfs/dbraw/zinc/68/26/90/631682690.db2.gz UYMGWTXBVCHCQO-GOSISDBHSA-N 2 1 302.462 3.036 20 0 DGADMP CSCCCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848544936 631687295 /nfs/dbraw/zinc/68/72/95/631687295.db2.gz PPZFTGLPKZSHDM-KRWDZBQOSA-N 2 1 314.539 3.143 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000848549788 631688753 /nfs/dbraw/zinc/68/87/53/631688753.db2.gz UKQIVJRMGYHQEC-OXJNMPFZSA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549788 631688758 /nfs/dbraw/zinc/68/87/58/631688758.db2.gz UKQIVJRMGYHQEC-OXJNMPFZSA-N 2 1 324.472 3.348 20 0 DGADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccc1 ZINC000849026404 631811335 /nfs/dbraw/zinc/81/13/35/631811335.db2.gz YOBFCJNXKSBENF-QGZVFWFLSA-N 2 1 300.450 3.420 20 0 DGADMP CC(C)Oc1ccc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000849041206 631815448 /nfs/dbraw/zinc/81/54/48/631815448.db2.gz NGGPLBPJGVKMPV-OAHLLOKOSA-N 2 1 318.465 3.142 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000849051065 631818657 /nfs/dbraw/zinc/81/86/57/631818657.db2.gz UZADACSUFXFDRN-INIZCTEOSA-N 2 1 314.477 3.376 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000849050799 631818757 /nfs/dbraw/zinc/81/87/57/631818757.db2.gz ITZSAUDHZUEFNB-ZDUSSCGKSA-N 2 1 324.856 3.159 20 0 DGADMP CCc1cccc(NC(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000849110677 631837928 /nfs/dbraw/zinc/83/79/28/631837928.db2.gz OGBQVRAIFMHFAA-MRXNPFEDSA-N 2 1 302.466 3.306 20 0 DGADMP Cc1ccc(NC(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC000849110641 631837973 /nfs/dbraw/zinc/83/79/73/631837973.db2.gz MCXSGXSIGOCZMZ-MRXNPFEDSA-N 2 1 302.466 3.360 20 0 DGADMP CCCn1nccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850096088 632055057 /nfs/dbraw/zinc/05/50/57/632055057.db2.gz IVOKVKGXJPPWPF-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CC3SCCS3)CC2)cc1 ZINC000850401666 632140324 /nfs/dbraw/zinc/14/03/24/632140324.db2.gz CYOWSKZASMNYSK-UHFFFAOYSA-N 2 1 322.543 3.089 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425605 632148577 /nfs/dbraw/zinc/14/85/77/632148577.db2.gz VWSWOLKKQVVMFM-QGTPRVQTSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425605 632148580 /nfs/dbraw/zinc/14/85/80/632148580.db2.gz VWSWOLKKQVVMFM-QGTPRVQTSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425605 632148584 /nfs/dbraw/zinc/14/85/84/632148584.db2.gz VWSWOLKKQVVMFM-QGTPRVQTSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425605 632148588 /nfs/dbraw/zinc/14/85/88/632148588.db2.gz VWSWOLKKQVVMFM-QGTPRVQTSA-N 2 1 300.446 3.289 20 0 DGADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850431533 632150646 /nfs/dbraw/zinc/15/06/46/632150646.db2.gz YFWSLLQCSKVJHR-GOSISDBHSA-N 2 1 316.493 3.352 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850506927 632174199 /nfs/dbraw/zinc/17/41/99/632174199.db2.gz CPTQANYMDZWDDA-MAUKXSAKSA-N 2 1 304.478 3.168 20 0 DGADMP FC(F)OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000851799134 632497962 /nfs/dbraw/zinc/49/79/62/632497962.db2.gz QARXBTRUXIMQKG-SFHVURJKSA-N 2 1 324.415 3.214 20 0 DGADMP FC(F)OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000851799134 632497965 /nfs/dbraw/zinc/49/79/65/632497965.db2.gz QARXBTRUXIMQKG-SFHVURJKSA-N 2 1 324.415 3.214 20 0 DGADMP FC(F)OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000851799134 632497969 /nfs/dbraw/zinc/49/79/69/632497969.db2.gz QARXBTRUXIMQKG-SFHVURJKSA-N 2 1 324.415 3.214 20 0 DGADMP FC(F)OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000851799134 632497972 /nfs/dbraw/zinc/49/79/72/632497972.db2.gz QARXBTRUXIMQKG-SFHVURJKSA-N 2 1 324.415 3.214 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCOC(F)F)CC1)CC1CC1 ZINC000851889336 632514799 /nfs/dbraw/zinc/51/47/99/632514799.db2.gz FHEYKYDIPXEGGJ-UHFFFAOYSA-N 2 1 304.425 3.060 20 0 DGADMP CO[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000852007052 632538092 /nfs/dbraw/zinc/53/80/92/632538092.db2.gz JOVYVINLSDMPRP-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000012313773 660528154 /nfs/dbraw/zinc/52/81/54/660528154.db2.gz UIOKIJNZWHHESS-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000075642704 660579084 /nfs/dbraw/zinc/57/90/84/660579084.db2.gz YTSBMTAXHHIMEV-HXUWFJFHSA-N 2 1 318.505 3.472 20 0 DGADMP C[C@]1(CNc2[nH+]cnc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000705192735 660836645 /nfs/dbraw/zinc/83/66/45/660836645.db2.gz QTLANKHTSNFHHJ-LJQANCHMSA-N 2 1 321.428 3.282 20 0 DGADMP C[C@]1(CNc2[nH+]cnc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000705192735 660836649 /nfs/dbraw/zinc/83/66/49/660836649.db2.gz QTLANKHTSNFHHJ-LJQANCHMSA-N 2 1 321.428 3.282 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000069160393 655553810 /nfs/dbraw/zinc/55/38/10/655553810.db2.gz CKZKLRUACTXNBF-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000069160393 655553811 /nfs/dbraw/zinc/55/38/11/655553811.db2.gz CKZKLRUACTXNBF-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000073895236 655559100 /nfs/dbraw/zinc/55/91/00/655559100.db2.gz DSGKWYAFWGKIHM-QGZVFWFLSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000073895236 655559102 /nfs/dbraw/zinc/55/91/02/655559102.db2.gz DSGKWYAFWGKIHM-QGZVFWFLSA-N 2 1 310.869 3.178 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1ccco1 ZINC000080189166 655573013 /nfs/dbraw/zinc/57/30/13/655573013.db2.gz SXWSOUVWWSKJBN-KRWDZBQOSA-N 2 1 316.445 3.061 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1ccco1 ZINC000080189166 655573018 /nfs/dbraw/zinc/57/30/18/655573018.db2.gz SXWSOUVWWSKJBN-KRWDZBQOSA-N 2 1 316.445 3.061 20 0 DGADMP CC[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000261658746 655661605 /nfs/dbraw/zinc/66/16/05/655661605.db2.gz BLDGJCUTHGTFEH-SFHVURJKSA-N 2 1 302.462 3.439 20 0 DGADMP Cc1csc(C[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000933129866 655684891 /nfs/dbraw/zinc/68/48/91/655684891.db2.gz NQOCPTOSHJBJQJ-MRXNPFEDSA-N 2 1 307.507 3.192 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000723674864 655715726 /nfs/dbraw/zinc/71/57/26/655715726.db2.gz CVCGFCMXXJFTJF-SNVBAGLBSA-N 2 1 317.658 3.273 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000723703519 655717432 /nfs/dbraw/zinc/71/74/32/655717432.db2.gz PYOVHBZNJUMEJT-SFHVURJKSA-N 2 1 310.441 3.436 20 0 DGADMP Cc1cccnc1[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000934286441 655763461 /nfs/dbraw/zinc/76/34/61/655763461.db2.gz FXEQQBAITDFSBX-QGZVFWFLSA-N 2 1 300.450 3.433 20 0 DGADMP C[C@@H]1CSCCC[NH+]1CCC[N@@H+]1CCCSC[C@H]1C ZINC000934304298 655765984 /nfs/dbraw/zinc/76/59/84/655765984.db2.gz PSNPXSRFVBJODF-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000262132321 655786009 /nfs/dbraw/zinc/78/60/09/655786009.db2.gz LOSVKSHZRNMPLI-NEWSRXKRSA-N 2 1 303.494 3.190 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000262388454 655853032 /nfs/dbraw/zinc/85/30/32/655853032.db2.gz ZNJQLHMMECQLGG-RBSFLKMASA-N 2 1 310.388 3.298 20 0 DGADMP C[C@]1(CN[C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724459 656045462 /nfs/dbraw/zinc/04/54/62/656045462.db2.gz NBRIFSXSZUWYFC-HSALFYBXSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000309724459 656045464 /nfs/dbraw/zinc/04/54/64/656045464.db2.gz NBRIFSXSZUWYFC-HSALFYBXSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724459 656045467 /nfs/dbraw/zinc/04/54/67/656045467.db2.gz NBRIFSXSZUWYFC-HSALFYBXSA-N 3 1 315.505 3.006 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000931350289 656213013 /nfs/dbraw/zinc/21/30/13/656213013.db2.gz IIYGEFMSCTZBSF-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)[NH+]1CCCC1 ZINC000236710346 656263209 /nfs/dbraw/zinc/26/32/09/656263209.db2.gz DHTSMFSRJNPZKV-VQIMIIECSA-N 2 1 304.478 3.423 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447226 656437367 /nfs/dbraw/zinc/43/73/67/656437367.db2.gz YWPDTVARJFTUHI-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447226 656437369 /nfs/dbraw/zinc/43/73/69/656437369.db2.gz YWPDTVARJFTUHI-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447226 656437371 /nfs/dbraw/zinc/43/73/71/656437371.db2.gz YWPDTVARJFTUHI-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000317213671 656582651 /nfs/dbraw/zinc/58/26/51/656582651.db2.gz KECBFWAMOQFPAG-INIZCTEOSA-N 2 1 300.450 3.255 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000318971578 656880708 /nfs/dbraw/zinc/88/07/08/656880708.db2.gz DWGIBBGLVMYGGI-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000262111024 657375082 /nfs/dbraw/zinc/37/50/82/657375082.db2.gz WMAPZQSEKFSIPV-GOSISDBHSA-N 2 1 300.377 3.271 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000262111024 657375089 /nfs/dbraw/zinc/37/50/89/657375089.db2.gz WMAPZQSEKFSIPV-GOSISDBHSA-N 2 1 300.377 3.271 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1 ZINC000305143888 657687810 /nfs/dbraw/zinc/68/78/10/657687810.db2.gz RDJIAHLSLPBZOF-KDOFPFPSSA-N 2 1 301.434 3.238 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC)C1 ZINC001009169236 657752791 /nfs/dbraw/zinc/75/27/91/657752791.db2.gz NSSYSNYEBKMHHM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169236 657752798 /nfs/dbraw/zinc/75/27/98/657752798.db2.gz NSSYSNYEBKMHHM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169236 657752804 /nfs/dbraw/zinc/75/28/04/657752804.db2.gz NSSYSNYEBKMHHM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826146 658224808 /nfs/dbraw/zinc/22/48/08/658224808.db2.gz RDZWCZSSFCESTJ-RYRKJORJSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826146 658224817 /nfs/dbraw/zinc/22/48/17/658224817.db2.gz RDZWCZSSFCESTJ-RYRKJORJSA-N 2 1 301.478 3.039 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)C1CCC([NH3+])CC1 ZINC000055144571 658915218 /nfs/dbraw/zinc/91/52/18/658915218.db2.gz JZQUEDXGHSWCRJ-UHFFFAOYSA-N 2 1 303.269 3.212 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC000227808156 659164688 /nfs/dbraw/zinc/16/46/88/659164688.db2.gz RSOBYBCTWGHHDG-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000060978732 659222648 /nfs/dbraw/zinc/22/26/48/659222648.db2.gz PNGGMZQCIGMONF-IYBDPMFKSA-N 2 1 304.478 3.461 20 0 DGADMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000089724508 659867687 /nfs/dbraw/zinc/86/76/87/659867687.db2.gz JSCQYFMJGGCHIT-WDYCEAGBSA-N 2 1 315.461 3.187 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC000930060295 659901772 /nfs/dbraw/zinc/90/17/72/659901772.db2.gz LCFJSWTUTQLIBQ-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC000930060295 659901775 /nfs/dbraw/zinc/90/17/75/659901775.db2.gz LCFJSWTUTQLIBQ-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP c1cc(SCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000930060493 659901971 /nfs/dbraw/zinc/90/19/71/659901971.db2.gz JNDNNXHESGXQCD-MAUKXSAKSA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000930060493 659901972 /nfs/dbraw/zinc/90/19/72/659901972.db2.gz JNDNNXHESGXQCD-MAUKXSAKSA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000930060493 659901974 /nfs/dbraw/zinc/90/19/74/659901974.db2.gz JNDNNXHESGXQCD-MAUKXSAKSA-N 2 1 317.502 3.122 20 0 DGADMP C[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000929700323 661329628 /nfs/dbraw/zinc/32/96/28/661329628.db2.gz COWVMSXKKLUYTR-DJIMGWMZSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000929700323 661329632 /nfs/dbraw/zinc/32/96/32/661329632.db2.gz COWVMSXKKLUYTR-DJIMGWMZSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929700323 661329636 /nfs/dbraw/zinc/32/96/36/661329636.db2.gz COWVMSXKKLUYTR-DJIMGWMZSA-N 2 1 308.416 3.309 20 0 DGADMP C[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000929700324 661329672 /nfs/dbraw/zinc/32/96/72/661329672.db2.gz COWVMSXKKLUYTR-USXIJHARSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000929700324 661329677 /nfs/dbraw/zinc/32/96/77/661329677.db2.gz COWVMSXKKLUYTR-USXIJHARSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000929700324 661329679 /nfs/dbraw/zinc/32/96/79/661329679.db2.gz COWVMSXKKLUYTR-USXIJHARSA-N 2 1 308.416 3.309 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1)[NH+]1CCCCC1 ZINC000929720103 661331682 /nfs/dbraw/zinc/33/16/82/661331682.db2.gz VKOOCPXOLBOQIB-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753528 661334989 /nfs/dbraw/zinc/33/49/89/661334989.db2.gz BJDNEDFMAYBYIO-LJQANCHMSA-N 2 1 324.472 3.047 20 0 DGADMP CCCN1CCC([N@@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929776996 661337098 /nfs/dbraw/zinc/33/70/98/661337098.db2.gz FDEPGRZYJXOCPE-HNNXBMFYSA-N 2 1 318.461 3.017 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000930001778 661357182 /nfs/dbraw/zinc/35/71/82/661357182.db2.gz WFBHHUSVGZYPLZ-ZQDZILKHSA-N 2 1 322.415 3.149 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)CC1 ZINC000930309081 661387215 /nfs/dbraw/zinc/38/72/15/661387215.db2.gz FTEQEIROUWENKF-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP COC/C(C)=C\C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000930346397 661391418 /nfs/dbraw/zinc/39/14/18/661391418.db2.gz DNOVXBUARQEIFI-DDYRAIOVSA-N 2 1 316.489 3.469 20 0 DGADMP COC/C(C)=C\C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000930346397 661391420 /nfs/dbraw/zinc/39/14/20/661391420.db2.gz DNOVXBUARQEIFI-DDYRAIOVSA-N 2 1 316.489 3.469 20 0 DGADMP COC/C(C)=C\C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460985 661400948 /nfs/dbraw/zinc/40/09/48/661400948.db2.gz MZBQSEBRBGBSMI-RTXJXEIKSA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C\C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460985 661400949 /nfs/dbraw/zinc/40/09/49/661400949.db2.gz MZBQSEBRBGBSMI-RTXJXEIKSA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C\C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930460985 661400950 /nfs/dbraw/zinc/40/09/50/661400950.db2.gz MZBQSEBRBGBSMI-RTXJXEIKSA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C\C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930460985 661400951 /nfs/dbraw/zinc/40/09/51/661400951.db2.gz MZBQSEBRBGBSMI-RTXJXEIKSA-N 2 1 314.473 3.177 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930676479 661421055 /nfs/dbraw/zinc/42/10/55/661421055.db2.gz XTHCGRLNWWYBGT-UHFFFAOYSA-N 2 1 316.489 3.137 20 0 DGADMP CCCC[N@@H+](C[C@H](COC)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034647 661447039 /nfs/dbraw/zinc/44/70/39/661447039.db2.gz WEKKLCNNBLVJPW-MRXNPFEDSA-N 2 1 314.514 3.059 20 0 DGADMP CCc1ncc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000931271393 661463433 /nfs/dbraw/zinc/46/34/33/661463433.db2.gz JTYHRYZVKYFTCH-UHFFFAOYSA-N 2 1 301.434 3.321 20 0 DGADMP CCc1ncc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000931271393 661463434 /nfs/dbraw/zinc/46/34/34/661463434.db2.gz JTYHRYZVKYFTCH-UHFFFAOYSA-N 2 1 301.434 3.321 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](CCSCc3ccccc3)C[C@@]2(C)C1 ZINC000931315070 661466223 /nfs/dbraw/zinc/46/62/23/661466223.db2.gz UAUUTIJETDJDBD-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC000931318577 661467078 /nfs/dbraw/zinc/46/70/78/661467078.db2.gz VDBQVOINLFWKDZ-ATZDWAIDSA-N 2 1 302.462 3.072 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C2CC(OCc3ccccc3)C2)CC1 ZINC000931351998 661469873 /nfs/dbraw/zinc/46/98/73/661469873.db2.gz CXXISWSVMQFTKN-UHFFFAOYSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545917 661487152 /nfs/dbraw/zinc/48/71/52/661487152.db2.gz IUIMJPSSGHXHDY-WCXIOVBPSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545917 661487154 /nfs/dbraw/zinc/48/71/54/661487154.db2.gz IUIMJPSSGHXHDY-WCXIOVBPSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545917 661487157 /nfs/dbraw/zinc/48/71/57/661487157.db2.gz IUIMJPSSGHXHDY-WCXIOVBPSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545917 661487159 /nfs/dbraw/zinc/48/71/59/661487159.db2.gz IUIMJPSSGHXHDY-WCXIOVBPSA-N 2 1 306.400 3.061 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000931684763 661498037 /nfs/dbraw/zinc/49/80/37/661498037.db2.gz ARYIVMJSNBTOAX-UHFFFAOYSA-N 2 1 304.482 3.257 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC000931765404 661506496 /nfs/dbraw/zinc/50/64/96/661506496.db2.gz WYWUBTWNXZMDTQ-AEFFLSMTSA-N 2 1 315.461 3.084 20 0 DGADMP Cc1nccn1CC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933656594 661648922 /nfs/dbraw/zinc/64/89/22/661648922.db2.gz QCNFZZPLMGTKTB-LJQANCHMSA-N 2 1 309.413 3.132 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)C[C@]2(C)C1 ZINC000933738366 661654674 /nfs/dbraw/zinc/65/46/74/661654674.db2.gz YONCZKBKMLQTSX-CVSAEHQPSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)C[C@]2(C)C1 ZINC000933738366 661654675 /nfs/dbraw/zinc/65/46/75/661654675.db2.gz YONCZKBKMLQTSX-CVSAEHQPSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)C[C@]2(C)C1 ZINC000933738366 661654678 /nfs/dbraw/zinc/65/46/78/661654678.db2.gz YONCZKBKMLQTSX-CVSAEHQPSA-N 2 1 304.400 3.239 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC000933732985 661654854 /nfs/dbraw/zinc/65/48/54/661654854.db2.gz FFPGSBAYGGFRQX-CJNGLKHVSA-N 2 1 310.894 3.316 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC000933732985 661654856 /nfs/dbraw/zinc/65/48/56/661654856.db2.gz FFPGSBAYGGFRQX-CJNGLKHVSA-N 2 1 310.894 3.316 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC000933732985 661654858 /nfs/dbraw/zinc/65/48/58/661654858.db2.gz FFPGSBAYGGFRQX-CJNGLKHVSA-N 2 1 310.894 3.316 20 0 DGADMP CCC[N@@H+](C[C@H]1CCOC1)C1CCN(Cc2ccccc2)CC1 ZINC000934187104 661685219 /nfs/dbraw/zinc/68/52/19/661685219.db2.gz AXMGQBAOWQOHAG-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCC(C)CC2)o1 ZINC000042909352 661842635 /nfs/dbraw/zinc/84/26/35/661842635.db2.gz FFTAQHOTGAWJAE-UHFFFAOYSA-N 2 1 316.449 3.190 20 0 DGADMP Brc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000084746311 662203550 /nfs/dbraw/zinc/20/35/50/662203550.db2.gz XJYHERHSHWCTRK-UHFFFAOYSA-N 2 1 309.251 3.025 20 0 DGADMP CCC[N@@H+](C[C@H](C)COCc1ccccc1)C1CC[NH2+]CC1 ZINC000719510982 662290548 /nfs/dbraw/zinc/29/05/48/662290548.db2.gz VKULUBLEPPZQME-KRWDZBQOSA-N 2 1 304.478 3.303 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000092380956 662330116 /nfs/dbraw/zinc/33/01/16/662330116.db2.gz RDLNDGGRDMKMOO-UHFFFAOYSA-N 2 1 320.868 3.151 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000248143581 662335143 /nfs/dbraw/zinc/33/51/43/662335143.db2.gz PXPZSDJBHWOLPJ-ZYSHUDEJSA-N 2 1 318.505 3.337 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1nc(Cl)c2ccccc21 ZINC000093912315 662361460 /nfs/dbraw/zinc/36/14/60/662361460.db2.gz ZTYSXEMHQDKIMY-UHFFFAOYSA-N 2 1 317.824 3.174 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1nc(Cl)c2ccccc21 ZINC000093912315 662361463 /nfs/dbraw/zinc/36/14/63/662361463.db2.gz ZTYSXEMHQDKIMY-UHFFFAOYSA-N 2 1 317.824 3.174 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000249007203 662363007 /nfs/dbraw/zinc/36/30/07/662363007.db2.gz JEKLLXMSWZMCNC-RBUKOAKNSA-N 2 1 322.468 3.446 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000261970120 685122507 /nfs/dbraw/zinc/12/25/07/685122507.db2.gz YVZUUAJMNOXLOV-XOKHGSTOSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000261970120 685122511 /nfs/dbraw/zinc/12/25/11/685122511.db2.gz YVZUUAJMNOXLOV-XOKHGSTOSA-N 2 1 315.392 3.040 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000380949998 685154282 /nfs/dbraw/zinc/15/42/82/685154282.db2.gz QOVJFJRNYDKBPQ-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000395141304 685224555 /nfs/dbraw/zinc/22/45/55/685224555.db2.gz YOAUBKGCYIRUHP-UHFFFAOYSA-N 2 1 311.267 3.459 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@@H]2CCC[NH2+][C@@H]21 ZINC001576487487 1191828076 /nfs/dbraw/zinc/82/80/76/1191828076.db2.gz BEMYSRFRJOONQS-BPQIPLTHSA-N 2 1 314.473 3.266 20 0 DGADMP C[C@]1(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCC[NH2+]C1 ZINC001576500626 1191831643 /nfs/dbraw/zinc/83/16/43/1191831643.db2.gz KHCVSELVGWLJKQ-MOPGFXCFSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@]1(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCC[NH2+]C1 ZINC001576500626 1191831688 /nfs/dbraw/zinc/83/16/88/1191831688.db2.gz KHCVSELVGWLJKQ-MOPGFXCFSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001576750969 1191867578 /nfs/dbraw/zinc/86/75/78/1191867578.db2.gz XLPIDJIZXFTTSC-SIZVQLJJSA-N 2 1 302.462 3.273 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001576752697 1191868263 /nfs/dbraw/zinc/86/82/63/1191868263.db2.gz JXQMIEUDWMMQIZ-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001576752697 1191868270 /nfs/dbraw/zinc/86/82/70/1191868270.db2.gz JXQMIEUDWMMQIZ-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1[NH3+] ZINC001576809485 1191870812 /nfs/dbraw/zinc/87/08/12/1191870812.db2.gz ZUABASCUJDVDSK-NHYWBVRUSA-N 2 1 306.356 3.394 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1[NH3+] ZINC001576809485 1191870817 /nfs/dbraw/zinc/87/08/17/1191870817.db2.gz ZUABASCUJDVDSK-NHYWBVRUSA-N 2 1 306.356 3.394 20 0 DGADMP C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC001576914410 1191874899 /nfs/dbraw/zinc/87/48/99/1191874899.db2.gz KELVJRZRAUWOEI-CMDLKFMISA-N 2 1 302.462 3.416 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001576939187 1191876094 /nfs/dbraw/zinc/87/60/94/1191876094.db2.gz QEJHIZZYCPZRLY-SJORKVTESA-N 2 1 305.466 3.017 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001576939187 1191876096 /nfs/dbraw/zinc/87/60/96/1191876096.db2.gz QEJHIZZYCPZRLY-SJORKVTESA-N 2 1 305.466 3.017 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c(C)c1 ZINC001578176481 1191929378 /nfs/dbraw/zinc/92/93/78/1191929378.db2.gz HSWPYASLRIAUBT-PKOBYXMFSA-N 2 1 302.462 3.345 20 0 DGADMP C[N@@H+](CCC1C[NH2+]C1)Cc1ccc(Br)cc1Cl ZINC001578463312 1191944939 /nfs/dbraw/zinc/94/49/39/1191944939.db2.gz BTBQBDWJJOCHOK-UHFFFAOYSA-N 2 1 317.658 3.144 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001578691491 1191952170 /nfs/dbraw/zinc/95/21/70/1191952170.db2.gz POFVVGDCUAHZOL-QGZVFWFLSA-N 2 1 303.837 3.218 20 0 DGADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCCCCC[NH3+] ZINC001578833112 1191958573 /nfs/dbraw/zinc/95/85/73/1191958573.db2.gz YPGWURMADMPAHJ-ROUUACIJSA-N 2 1 318.461 3.274 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001579005490 1191964220 /nfs/dbraw/zinc/96/42/20/1191964220.db2.gz QLPPZNJGKGPWCR-GBESFXJTSA-N 2 1 302.462 3.086 20 0 DGADMP COc1ccc([C@@H](C)CC[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001579192805 1191968213 /nfs/dbraw/zinc/96/82/13/1191968213.db2.gz JQNAKLCGRYDEOA-WCQYABFASA-N 2 1 304.356 3.058 20 0 DGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC001579194932 1191968985 /nfs/dbraw/zinc/96/89/85/1191968985.db2.gz XZZINEXKFPHRFD-OAHLLOKOSA-N 2 1 320.477 3.042 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC001579708576 1191988277 /nfs/dbraw/zinc/98/82/77/1191988277.db2.gz ZYSFMCBQRNDESQ-WSTZPKSXSA-N 2 1 315.505 3.284 20 0 DGADMP Cc1ccc2sc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc2c1 ZINC001579743322 1191990406 /nfs/dbraw/zinc/99/04/06/1191990406.db2.gz RZBKLEOOADVMJN-UHFFFAOYSA-N 2 1 301.459 3.180 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579789793 1191993738 /nfs/dbraw/zinc/99/37/38/1191993738.db2.gz AFFQVRCZKKKMRI-BMFAXAFESA-N 2 1 302.462 3.274 20 0 DGADMP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC001579785202 1191993480 /nfs/dbraw/zinc/99/34/80/1191993480.db2.gz CZOCIUUFGYMAQN-RBUKOAKNSA-N 2 1 324.472 3.002 20 0 DGADMP Clc1ccc(NC[C@@H]2CCC[N@@H+](C[C@]34C[C@H]3C[NH2+]C4)C2)cc1 ZINC001579939141 1191999986 /nfs/dbraw/zinc/99/99/86/1191999986.db2.gz TXZZQPRKWIOQHL-RLFYNMQTSA-N 2 1 319.880 3.073 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001579809451 1191995426 /nfs/dbraw/zinc/99/54/26/1191995426.db2.gz ZSRRXKDBGDYEHP-FUHWJXTLSA-N 2 1 313.420 3.012 20 0 DGADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001579873189 1191997258 /nfs/dbraw/zinc/99/72/58/1191997258.db2.gz WNQGLSRRQUGFQV-IBGZPJMESA-N 2 1 312.461 3.135 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)n1-c1ccccc1 ZINC001579877892 1191997745 /nfs/dbraw/zinc/99/77/45/1191997745.db2.gz GPKXHBSYPSECKI-GBESFXJTSA-N 2 1 324.472 3.047 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1F ZINC001579882397 1191998034 /nfs/dbraw/zinc/99/80/34/1191998034.db2.gz WDOSPRNCDLAWDT-UHFFFAOYSA-N 3 1 324.403 3.068 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001579888254 1191998356 /nfs/dbraw/zinc/99/83/56/1191998356.db2.gz UYLZVCVMNNLLAN-WFASDCNBSA-N 2 1 318.852 3.064 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001579888252 1191998615 /nfs/dbraw/zinc/99/86/15/1191998615.db2.gz UYLZVCVMNNLLAN-IUODEOHRSA-N 2 1 318.852 3.064 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC001579926444 1191998969 /nfs/dbraw/zinc/99/89/69/1191998969.db2.gz CFTPIWKAVGMMMC-STQMWFEESA-N 2 1 305.447 3.319 20 0 DGADMP Cc1scc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C ZINC001579936988 1191999212 /nfs/dbraw/zinc/99/92/12/1191999212.db2.gz HGSASVOAFLPQIC-GVDBMIGSSA-N 2 1 308.491 3.226 20 0 DGADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC001580033890 1192004276 /nfs/dbraw/zinc/00/42/76/1192004276.db2.gz CFUYXZGCTSQNGQ-GFCCVEGCSA-N 2 1 305.422 3.038 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1)C1CCCC1 ZINC001580128393 1192008613 /nfs/dbraw/zinc/00/86/13/1192008613.db2.gz TUIADRVNWSLCBV-QXAKKESOSA-N 2 1 324.509 3.149 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)CC(F)(F)F ZINC001580131694 1192009062 /nfs/dbraw/zinc/00/90/62/1192009062.db2.gz GZLUMYIAKSIAAM-ILXRZTDVSA-N 2 1 300.368 3.267 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C1CCCCC1 ZINC001580228980 1192015253 /nfs/dbraw/zinc/01/52/53/1192015253.db2.gz IWIDFPAKOANKPA-ZDUSSCGKSA-N 2 1 312.360 3.005 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@@H]1C(F)(F)F ZINC001580274214 1192018491 /nfs/dbraw/zinc/01/84/91/1192018491.db2.gz GKUQATYBYZOJMI-KBPBESRZSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@@H]1C(F)(F)F ZINC001580274214 1192018493 /nfs/dbraw/zinc/01/84/93/1192018493.db2.gz GKUQATYBYZOJMI-KBPBESRZSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001580287140 1192019400 /nfs/dbraw/zinc/01/94/00/1192019400.db2.gz RDYHXJVGEXWQHT-DOMZBBRYSA-N 2 1 317.260 3.230 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001580287140 1192019403 /nfs/dbraw/zinc/01/94/03/1192019403.db2.gz RDYHXJVGEXWQHT-DOMZBBRYSA-N 2 1 317.260 3.230 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC001580343012 1192022936 /nfs/dbraw/zinc/02/29/36/1192022936.db2.gz SZMBSIHORMDHAM-FQEVSTJZSA-N 2 1 308.425 3.115 20 0 DGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001580366300 1192024033 /nfs/dbraw/zinc/02/40/33/1192024033.db2.gz UEZVKSLXSJVUFK-ACRUOGEOSA-N 2 1 324.468 3.145 20 0 DGADMP O[C@@H](C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1ccccc1 ZINC001580877929 1192043606 /nfs/dbraw/zinc/04/36/06/1192043606.db2.gz HEXJDFMLHWIJOD-RXVVDRJESA-N 2 1 324.468 3.222 20 0 DGADMP c1ccc(CC[N@@H+](CCC[NH2+]C2CC2)Cc2cccnc2)cc1 ZINC001580892646 1192044536 /nfs/dbraw/zinc/04/45/36/1192044536.db2.gz APZRMRGFDXDDNR-UHFFFAOYSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(CC[N@H+](CCC[NH2+]C2CC2)Cc2cccnc2)cc1 ZINC001580892646 1192044538 /nfs/dbraw/zinc/04/45/38/1192044538.db2.gz APZRMRGFDXDDNR-UHFFFAOYSA-N 2 1 309.457 3.268 20 0 DGADMP COCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001620724830 1192076762 /nfs/dbraw/zinc/07/67/62/1192076762.db2.gz LAIXPGAQPKUNES-QGZVFWFLSA-N 2 1 304.478 3.435 20 0 DGADMP CC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(F)c1 ZINC001620827435 1192240189 /nfs/dbraw/zinc/24/01/89/1192240189.db2.gz OXFNFDFAASEZFN-INIZCTEOSA-N 2 1 317.408 3.234 20 0 DGADMP Cc1c(Cl)cccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001620899724 1192563327 /nfs/dbraw/zinc/56/33/27/1192563327.db2.gz MRMDFCFIRITHAH-CQSZACIVSA-N 2 1 310.869 3.239 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)CC2 ZINC001620967520 1192693305 /nfs/dbraw/zinc/69/33/05/1192693305.db2.gz LHDIGFFBVLXZBY-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)CC2 ZINC001620967520 1192693307 /nfs/dbraw/zinc/69/33/07/1192693307.db2.gz LHDIGFFBVLXZBY-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000109442473 1176239224 /nfs/dbraw/zinc/23/92/24/1176239224.db2.gz GMPUBFRITQBDEJ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001691113640 1176322856 /nfs/dbraw/zinc/32/28/56/1176322856.db2.gz ULBFZPFKAGUQKN-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001691113640 1176322862 /nfs/dbraw/zinc/32/28/62/1176322862.db2.gz ULBFZPFKAGUQKN-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001691113640 1176322869 /nfs/dbraw/zinc/32/28/69/1176322869.db2.gz ULBFZPFKAGUQKN-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000120756606 1176543045 /nfs/dbraw/zinc/54/30/45/1176543045.db2.gz XCHZXVVCMMRLAW-IBGZPJMESA-N 2 1 304.478 3.291 20 0 DGADMP Cc1sc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Br ZINC000227911132 1176577109 /nfs/dbraw/zinc/57/71/09/1176577109.db2.gz KWTDDZGFEYXBSL-UHFFFAOYSA-N 2 1 317.296 3.250 20 0 DGADMP COC[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168042276 1177092612 /nfs/dbraw/zinc/09/26/12/1177092612.db2.gz YQAHYOMCPLJYLH-ZHALLVOQSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168042276 1177092618 /nfs/dbraw/zinc/09/26/18/1177092618.db2.gz YQAHYOMCPLJYLH-ZHALLVOQSA-N 2 1 316.489 3.396 20 0 DGADMP CCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001671679517 1177234562 /nfs/dbraw/zinc/23/45/62/1177234562.db2.gz XOFRZUBXZWEQNA-IEBWSBKVSA-N 2 1 323.525 3.022 20 0 DGADMP O[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001179690432 1177804191 /nfs/dbraw/zinc/80/41/91/1177804191.db2.gz GIESNVUBGKUSNF-ICSRJNTNSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC001331025336 1178115062 /nfs/dbraw/zinc/11/50/62/1178115062.db2.gz DREXWAONEJUUQE-RDJZCZTQSA-N 2 1 304.478 3.479 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC001331025332 1178115150 /nfs/dbraw/zinc/11/51/50/1178115150.db2.gz DREXWAONEJUUQE-DOTOQJQBSA-N 2 1 304.478 3.479 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001331229036 1178160373 /nfs/dbraw/zinc/16/03/73/1178160373.db2.gz GNKQNQDGYOPQCO-QGLXBCBXSA-N 3 1 307.526 3.246 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(C)c1 ZINC001332725820 1178482812 /nfs/dbraw/zinc/48/28/12/1178482812.db2.gz VGLDNVYUTDQAAH-UHFFFAOYSA-N 2 1 316.489 3.345 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC001333175604 1178566694 /nfs/dbraw/zinc/56/66/94/1178566694.db2.gz KBEJYVZEEZXBQW-ALOPSCKCSA-N 2 1 318.461 3.056 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)cc1OC ZINC001333477733 1178611678 /nfs/dbraw/zinc/61/16/78/1178611678.db2.gz GLQJQRDHXHCGOL-UAGQMJEPSA-N 2 1 320.477 3.097 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001333585548 1178632026 /nfs/dbraw/zinc/63/20/26/1178632026.db2.gz CVSCVNPAAQBOLS-AABGKKOBSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001333585548 1178632028 /nfs/dbraw/zinc/63/20/28/1178632028.db2.gz CVSCVNPAAQBOLS-AABGKKOBSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001333585548 1178632031 /nfs/dbraw/zinc/63/20/31/1178632031.db2.gz CVSCVNPAAQBOLS-AABGKKOBSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001333585548 1178632032 /nfs/dbraw/zinc/63/20/32/1178632032.db2.gz CVSCVNPAAQBOLS-AABGKKOBSA-N 2 1 316.489 3.089 20 0 DGADMP c1oc(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001333596222 1178634722 /nfs/dbraw/zinc/63/47/22/1178634722.db2.gz IXYRARQVISCDFS-QGZVFWFLSA-N 2 1 311.429 3.148 20 0 DGADMP COc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001333681134 1178652796 /nfs/dbraw/zinc/65/27/96/1178652796.db2.gz HETKCAURWSDDPJ-QGZVFWFLSA-N 2 1 314.429 3.242 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2C1 ZINC001333842466 1178683335 /nfs/dbraw/zinc/68/33/35/1178683335.db2.gz RRHKARIDXBSYQO-WSTZPKSXSA-N 2 1 324.472 3.034 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001333892411 1178691570 /nfs/dbraw/zinc/69/15/70/1178691570.db2.gz QPZBZQUKAJHWBQ-XHSDSOJGSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C[NH+]1CCCSC[C@H]1C)C[N@H+]1CCCSC[C@H]1C ZINC001334680545 1178779981 /nfs/dbraw/zinc/77/99/81/1178779981.db2.gz XWONZUOCWICERY-HZPDHXFCSA-N 2 1 316.580 3.277 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC001335974757 1178976886 /nfs/dbraw/zinc/97/68/86/1178976886.db2.gz UVOLJVODBPXQPS-SFHVURJKSA-N 2 1 317.477 3.260 20 0 DGADMP OCC12CCC(CC1)[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001342001916 1179092451 /nfs/dbraw/zinc/09/24/51/1179092451.db2.gz XJPJNLJCKLYLAF-UHFFFAOYSA-N 2 1 314.473 3.162 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001342260129 1179123520 /nfs/dbraw/zinc/12/35/20/1179123520.db2.gz PPFAXPGLSRKDOT-ZDUSSCGKSA-N 2 1 314.433 3.229 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343335934 1179257951 /nfs/dbraw/zinc/25/79/51/1179257951.db2.gz YXPDBPWJAFGQEV-GVDBMIGSSA-N 2 1 324.472 3.100 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC001345413972 1179560715 /nfs/dbraw/zinc/56/07/15/1179560715.db2.gz YOQWKQUVRRZGEL-CVEARBPZSA-N 2 1 320.477 3.395 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001345481453 1179565324 /nfs/dbraw/zinc/56/53/24/1179565324.db2.gz BVBYEVBIVNTKRM-IVMQYODDSA-N 3 1 303.494 3.017 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001345955104 1179629487 /nfs/dbraw/zinc/62/94/87/1179629487.db2.gz BFRSKNYJJPTVME-UHFFFAOYSA-N 2 1 313.420 3.340 20 0 DGADMP CCC[N@@H+](Cc1ccc(-c2cnn(C)c2)cc1)C1CC[NH2+]CC1 ZINC001349313019 1179890171 /nfs/dbraw/zinc/89/01/71/1179890171.db2.gz BJCRUNNJRLCWJN-UHFFFAOYSA-N 2 1 312.461 3.051 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001349326491 1179893036 /nfs/dbraw/zinc/89/30/36/1179893036.db2.gz ZAXONADAQMOLGA-UHFFFAOYSA-N 2 1 322.456 3.109 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001349911445 1179976133 /nfs/dbraw/zinc/97/61/33/1179976133.db2.gz OZARJNCJUXIBTL-GASCZTMLSA-N 2 1 302.466 3.299 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)oc21 ZINC001351314071 1180198373 /nfs/dbraw/zinc/19/83/73/1180198373.db2.gz GBMTXKHIAGYQDW-CQSZACIVSA-N 2 1 302.418 3.404 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)oc21 ZINC001351314071 1180198376 /nfs/dbraw/zinc/19/83/76/1180198376.db2.gz GBMTXKHIAGYQDW-CQSZACIVSA-N 2 1 302.418 3.404 20 0 DGADMP Cn1c(C[N@@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)cc2ccccc21 ZINC001352112023 1180297415 /nfs/dbraw/zinc/29/74/15/1180297415.db2.gz LAJLQPVLYJSWFS-FGTMMUONSA-N 2 1 311.473 3.340 20 0 DGADMP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cs1 ZINC001352111390 1180297959 /nfs/dbraw/zinc/29/79/59/1180297959.db2.gz FXJCTTPKFQGMCO-OFQRWUPVSA-N 2 1 307.507 3.429 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC001200243633 1180479188 /nfs/dbraw/zinc/47/91/88/1180479188.db2.gz LMGYYWYMRVNOBL-IEBWSBKVSA-N 2 1 304.478 3.433 20 0 DGADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001200715381 1180847345 /nfs/dbraw/zinc/84/73/45/1180847345.db2.gz YVPDSKGCSHIHAG-WMLDXEAASA-N 2 1 318.490 3.137 20 0 DGADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001200715381 1180847352 /nfs/dbraw/zinc/84/73/52/1180847352.db2.gz YVPDSKGCSHIHAG-WMLDXEAASA-N 2 1 318.490 3.137 20 0 DGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC001356070159 1181135621 /nfs/dbraw/zinc/13/56/21/1181135621.db2.gz NFANHCYOWQVDJO-OKZBNKHCSA-N 2 1 320.864 3.246 20 0 DGADMP C[N@@H+](CCC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)C1CCCCC1 ZINC001457309923 1182456063 /nfs/dbraw/zinc/45/60/63/1182456063.db2.gz KKLDPISBVLAAFO-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001460058416 1182645908 /nfs/dbraw/zinc/64/59/08/1182645908.db2.gz NJCQKJOYAIEFLJ-QGZVFWFLSA-N 2 1 324.896 3.006 20 0 DGADMP C[C@@H]1[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C[C@H]1CCC[N@H+]1C ZINC001460341355 1182680503 /nfs/dbraw/zinc/68/05/03/1182680503.db2.gz GSJXNCGKYWPCFS-JRBPQWBISA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C[C@H]1CCC[NH+]1C ZINC001460341355 1182680506 /nfs/dbraw/zinc/68/05/06/1182680506.db2.gz GSJXNCGKYWPCFS-JRBPQWBISA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C[C@H]1CCC[NH+]1C ZINC001460341355 1182680509 /nfs/dbraw/zinc/68/05/09/1182680509.db2.gz GSJXNCGKYWPCFS-JRBPQWBISA-N 2 1 315.505 3.064 20 0 DGADMP C[C@H](NCC[C@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824201 1182727424 /nfs/dbraw/zinc/72/74/24/1182727424.db2.gz GVBSSHOELLZIPF-SWLSCSKDSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824201 1182727429 /nfs/dbraw/zinc/72/74/29/1182727429.db2.gz GVBSSHOELLZIPF-SWLSCSKDSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824201 1182727433 /nfs/dbraw/zinc/72/74/33/1182727433.db2.gz GVBSSHOELLZIPF-SWLSCSKDSA-N 2 1 308.853 3.410 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001461051798 1182761456 /nfs/dbraw/zinc/76/14/56/1182761456.db2.gz NRFCRDNRRVKYJW-RTBURBONSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001461051798 1182761463 /nfs/dbraw/zinc/76/14/63/1182761463.db2.gz NRFCRDNRRVKYJW-RTBURBONSA-N 2 1 302.462 3.438 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC001461106074 1182768377 /nfs/dbraw/zinc/76/83/77/1182768377.db2.gz PAFSGXHTGYGHRT-IBGZPJMESA-N 2 1 304.478 3.127 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC001461127983 1182771732 /nfs/dbraw/zinc/77/17/32/1182771732.db2.gz IOYSOMULNPWPMK-UHFFFAOYSA-N 2 1 313.420 3.498 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001461425330 1182810763 /nfs/dbraw/zinc/81/07/63/1182810763.db2.gz CZXSHXWQUHUPPG-DODZYUBVSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001461566433 1182828799 /nfs/dbraw/zinc/82/87/99/1182828799.db2.gz QRCYLFRIUSAWEL-LRYGQEGESA-N 2 1 308.510 3.436 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)[C@@H]2C1 ZINC001461832148 1182865295 /nfs/dbraw/zinc/86/52/95/1182865295.db2.gz SWZAHOYFMCOZLC-UHTWSYAYSA-N 2 1 321.877 3.380 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4ccc(F)cc4F)C3)[C@H]2C1 ZINC001462671622 1182984680 /nfs/dbraw/zinc/98/46/80/1182984680.db2.gz RZXJFSUQEYJTQN-JVJVUGGRSA-N 2 1 306.400 3.141 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC3CC[NH+](CC(C)C)CC3)c12 ZINC001472649551 1183660983 /nfs/dbraw/zinc/66/09/83/1183660983.db2.gz LZBYTLQRVCIEQR-UHFFFAOYSA-N 2 1 301.438 3.053 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001473192353 1183727796 /nfs/dbraw/zinc/72/77/96/1183727796.db2.gz UCJIIARFGMLHNW-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP C/C=C\C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688042 1183789355 /nfs/dbraw/zinc/78/93/55/1183789355.db2.gz PBMNHDFBLIUZRE-JGAFRWBPSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688042 1183789363 /nfs/dbraw/zinc/78/93/63/1183789363.db2.gz PBMNHDFBLIUZRE-JGAFRWBPSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C\C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001473688042 1183789365 /nfs/dbraw/zinc/78/93/65/1183789365.db2.gz PBMNHDFBLIUZRE-JGAFRWBPSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C\C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001473688042 1183789371 /nfs/dbraw/zinc/78/93/71/1183789371.db2.gz PBMNHDFBLIUZRE-JGAFRWBPSA-N 2 1 316.489 3.158 20 0 DGADMP Cc1cccc(C[C@]2(C)CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC001473686270 1183790502 /nfs/dbraw/zinc/79/05/02/1183790502.db2.gz ACWSKHBSUXOMMO-UXHICEINSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@]2(C)CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC001473686270 1183790503 /nfs/dbraw/zinc/79/05/03/1183790503.db2.gz ACWSKHBSUXOMMO-UXHICEINSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@]2(C)CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC001473686270 1183790508 /nfs/dbraw/zinc/79/05/08/1183790508.db2.gz ACWSKHBSUXOMMO-UXHICEINSA-N 2 1 318.505 3.093 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCN1c1cc[nH+]cc1 ZINC001473759883 1183800007 /nfs/dbraw/zinc/80/00/07/1183800007.db2.gz QPIQELYODIGWKA-IFXJQAMLSA-N 2 1 311.404 3.419 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473964995 1183839932 /nfs/dbraw/zinc/83/99/32/1183839932.db2.gz RPXCXYXZVHRYMB-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473964995 1183839935 /nfs/dbraw/zinc/83/99/35/1183839935.db2.gz RPXCXYXZVHRYMB-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)s2)[C@@H](C)C1 ZINC001474002230 1183848262 /nfs/dbraw/zinc/84/82/62/1183848262.db2.gz LDBNZVUNBFSKCN-YOEHRIQHSA-N 2 1 310.507 3.283 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474028328 1183853941 /nfs/dbraw/zinc/85/39/41/1183853941.db2.gz NNMMASBWILTQLV-JKSUJKDBSA-N 2 1 306.498 3.217 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC001474302657 1183901435 /nfs/dbraw/zinc/90/14/35/1183901435.db2.gz CFMXTKRXADXGJO-RCCFBDPRSA-N 2 1 314.473 3.220 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC001474320755 1183903439 /nfs/dbraw/zinc/90/34/39/1183903439.db2.gz PNAVTEGKEPERDN-ZWKOTPCHSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001474320755 1183903441 /nfs/dbraw/zinc/90/34/41/1183903441.db2.gz PNAVTEGKEPERDN-ZWKOTPCHSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001474320755 1183903446 /nfs/dbraw/zinc/90/34/46/1183903446.db2.gz PNAVTEGKEPERDN-ZWKOTPCHSA-N 2 1 304.503 3.466 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317504 1183904052 /nfs/dbraw/zinc/90/40/52/1183904052.db2.gz HQSSSZDARQDVJP-WFASDCNBSA-N 2 1 320.506 3.175 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC001474325558 1183905008 /nfs/dbraw/zinc/90/50/08/1183905008.db2.gz GAUGDKQBVVLABH-UHFFFAOYSA-N 2 1 300.446 3.213 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001474388498 1183914718 /nfs/dbraw/zinc/91/47/18/1183914718.db2.gz LIRSLDODVZMCSI-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)C(C)(C)CN2CCCCCC2)CC1 ZINC001474461958 1183925641 /nfs/dbraw/zinc/92/56/41/1183925641.db2.gz YTZLQQPCCVEHNW-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP CC[NH+]1CCC(CN(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC001474461958 1183925643 /nfs/dbraw/zinc/92/56/43/1183925643.db2.gz YTZLQQPCCVEHNW-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CCSCC1 ZINC001474662005 1183958510 /nfs/dbraw/zinc/95/85/10/1183958510.db2.gz AGEOXYKWGIBPGX-QFBILLFUSA-N 2 1 318.530 3.487 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001480403580 1184523594 /nfs/dbraw/zinc/52/35/94/1184523594.db2.gz LUTAJUXMQWWJPS-DAWZGUTISA-N 2 1 323.525 3.066 20 0 DGADMP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001502784457 1186010835 /nfs/dbraw/zinc/01/08/35/1186010835.db2.gz RTCNIBOUXVZWAD-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001502932673 1186030796 /nfs/dbraw/zinc/03/07/96/1186030796.db2.gz GNRJNKGJRYXUBU-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001502932673 1186030809 /nfs/dbraw/zinc/03/08/09/1186030809.db2.gz GNRJNKGJRYXUBU-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001502932673 1186030814 /nfs/dbraw/zinc/03/08/14/1186030814.db2.gz GNRJNKGJRYXUBU-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001507381196 1186410434 /nfs/dbraw/zinc/41/04/34/1186410434.db2.gz AYNASSGMXLGFJA-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)C1CCCC1 ZINC001615450913 1193522828 /nfs/dbraw/zinc/52/28/28/1193522828.db2.gz GBTJULMSSCUGCV-HXUWFJFHSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC001615450913 1193522831 /nfs/dbraw/zinc/52/28/31/1193522831.db2.gz GBTJULMSSCUGCV-HXUWFJFHSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001615450913 1193522833 /nfs/dbraw/zinc/52/28/33/1193522833.db2.gz GBTJULMSSCUGCV-HXUWFJFHSA-N 2 1 318.505 3.175 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C[C@H]1CCC[NH+](C)C1 ZINC001615634621 1193524836 /nfs/dbraw/zinc/52/48/36/1193524836.db2.gz GPFRCVRNLMHMPK-QXAKKESOSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@H]1CC[C@H](c2ccccc2)O1)C[C@H]1CCC[N@H+](C)C1 ZINC001615634621 1193524837 /nfs/dbraw/zinc/52/48/37/1193524837.db2.gz GPFRCVRNLMHMPK-QXAKKESOSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@H]1CC[C@H](c2ccccc2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC001615634621 1193524839 /nfs/dbraw/zinc/52/48/39/1193524839.db2.gz GPFRCVRNLMHMPK-QXAKKESOSA-N 2 1 302.462 3.180 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308124 1193535206 /nfs/dbraw/zinc/53/52/06/1193535206.db2.gz BRPIKHQJSMRHQB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308124 1193535209 /nfs/dbraw/zinc/53/52/09/1193535209.db2.gz BRPIKHQJSMRHQB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001616308124 1193535211 /nfs/dbraw/zinc/53/52/11/1193535211.db2.gz BRPIKHQJSMRHQB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001616308124 1193535213 /nfs/dbraw/zinc/53/52/13/1193535213.db2.gz BRPIKHQJSMRHQB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001617104897 1193558007 /nfs/dbraw/zinc/55/80/07/1193558007.db2.gz ZUVFNRKWAMLSPL-WBVHZDCISA-N 2 1 314.473 3.459 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001549017615 1188487295 /nfs/dbraw/zinc/48/72/95/1188487295.db2.gz RBOIGOKTVWWENG-ZDUSSCGKSA-N 2 1 305.372 3.120 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001549017608 1188487307 /nfs/dbraw/zinc/48/73/07/1188487307.db2.gz RBOIGOKTVWWENG-CYBMUJFWSA-N 2 1 305.372 3.120 20 0 DGADMP COCC1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001549034130 1188487737 /nfs/dbraw/zinc/48/77/37/1188487737.db2.gz JPCUVUHNRQVEHB-RDVQEIBISA-N 2 1 316.489 3.127 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001549034453 1188488153 /nfs/dbraw/zinc/48/81/53/1188488153.db2.gz SMNTXYGITCWKQU-GBESFXJTSA-N 2 1 314.473 3.023 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001549087467 1188492887 /nfs/dbraw/zinc/49/28/87/1188492887.db2.gz MBYANZCSEQHVHL-QUCCMNQESA-N 2 1 307.441 3.309 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)oc21 ZINC001549088116 1188493755 /nfs/dbraw/zinc/49/37/55/1188493755.db2.gz HIGHNZALSOAOHB-KDOFPFPSSA-N 2 1 300.402 3.002 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C2CC(CF)(CF)C2)[C@@H](c2ccccc2)C1 ZINC001549188367 1188502323 /nfs/dbraw/zinc/50/23/23/1188502323.db2.gz QAAKPPKLLATMAX-NVXWUHKLSA-N 2 1 308.416 3.009 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CC1CC[NH2+]CC1 ZINC001549285467 1188510202 /nfs/dbraw/zinc/51/02/02/1188510202.db2.gz BIKAHEQBFOSCTC-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CC1CC[NH2+]CC1 ZINC001549285470 1188510391 /nfs/dbraw/zinc/51/03/91/1188510391.db2.gz BIKAHEQBFOSCTC-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368446 1188514360 /nfs/dbraw/zinc/51/43/60/1188514360.db2.gz UBYCNHNVWUQTDZ-NSHDSACASA-N 2 1 313.323 3.412 20 0 DGADMP Cn1cncc1[C@H]1CCCN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368446 1188514365 /nfs/dbraw/zinc/51/43/65/1188514365.db2.gz UBYCNHNVWUQTDZ-NSHDSACASA-N 2 1 313.323 3.412 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 ZINC001550350502 1188608761 /nfs/dbraw/zinc/60/87/61/1188608761.db2.gz PDHPFBXUWMOJSA-XYPHTWIQSA-N 2 1 306.425 3.105 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@@H](O)C2 ZINC001550350984 1188608811 /nfs/dbraw/zinc/60/88/11/1188608811.db2.gz HMWTXWNFWQWMPM-DFEOGRTESA-N 2 1 308.510 3.025 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 ZINC001550350157 1188609288 /nfs/dbraw/zinc/60/92/88/1188609288.db2.gz JLLVQELFSFDQLL-BQGCOEIASA-N 2 1 308.853 3.229 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001550353469 1188609815 /nfs/dbraw/zinc/60/98/15/1188609815.db2.gz SCYCMAQIWGPNEA-QWFUGVESSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3ccsc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422899 1188615124 /nfs/dbraw/zinc/61/51/24/1188615124.db2.gz FAVGIOOSEQOHNH-XDNAFOTISA-N 2 1 322.518 3.016 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c2ccccc2O1 ZINC001550473892 1188617347 /nfs/dbraw/zinc/61/73/47/1188617347.db2.gz SWCWPAFHSJOSRC-QLKQHDGRSA-N 2 1 300.446 3.265 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540632 1188622888 /nfs/dbraw/zinc/62/28/88/1188622888.db2.gz IAENSGLWTJNSGE-DJIMGWMZSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540632 1188622890 /nfs/dbraw/zinc/62/28/90/1188622890.db2.gz IAENSGLWTJNSGE-DJIMGWMZSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540632 1188622892 /nfs/dbraw/zinc/62/28/92/1188622892.db2.gz IAENSGLWTJNSGE-DJIMGWMZSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540632 1188622895 /nfs/dbraw/zinc/62/28/95/1188622895.db2.gz IAENSGLWTJNSGE-DJIMGWMZSA-N 2 1 311.429 3.286 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@H]32)CC1 ZINC001550642408 1188636348 /nfs/dbraw/zinc/63/63/48/1188636348.db2.gz PUMGSKJNBVBYMA-AABGKKOBSA-N 2 1 314.473 3.323 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(F)cc1C ZINC001551261664 1188723064 /nfs/dbraw/zinc/72/30/64/1188723064.db2.gz OUNSYURSPGFOPA-ZMSDIMECSA-N 2 1 320.452 3.305 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001551261644 1188723529 /nfs/dbraw/zinc/72/35/29/1188723529.db2.gz OUACUCXYJPBWLY-BVBHFADKSA-N 2 1 316.489 3.461 20 0 DGADMP CCO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080814 1188817140 /nfs/dbraw/zinc/81/71/40/1188817140.db2.gz IZNVKTVAGYIZKV-CADBVGFASA-N 2 1 302.462 3.417 20 0 DGADMP c1cc(C[N@@H+]2C[C@@H]3COCC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC001552169346 1188821920 /nfs/dbraw/zinc/82/19/20/1188821920.db2.gz PJXHRXSLLWEERB-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP CO[C@H]1C[C@H](CF)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317570 1188835504 /nfs/dbraw/zinc/83/55/04/1188835504.db2.gz QBSYGRFEPAXPHH-MOPGFXCFSA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@H]1C[C@H](CF)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317570 1188835508 /nfs/dbraw/zinc/83/55/08/1188835508.db2.gz QBSYGRFEPAXPHH-MOPGFXCFSA-N 2 1 320.452 3.231 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001552895199 1188881485 /nfs/dbraw/zinc/88/14/85/1188881485.db2.gz CEKXHJGFZQSKMT-CUCSMPGESA-N 2 1 314.473 3.499 20 0 DGADMP COc1cccc(C2CC([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC001553026702 1188891258 /nfs/dbraw/zinc/89/12/58/1188891258.db2.gz AKZYCQFAJOJSCJ-HTWSVDAQSA-N 2 1 300.446 3.206 20 0 DGADMP C[N@@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103534 1188898585 /nfs/dbraw/zinc/89/85/85/1188898585.db2.gz DENXWYLDLPAULH-GTAWCEEGSA-N 2 1 314.473 3.323 20 0 DGADMP C[N@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103534 1188898588 /nfs/dbraw/zinc/89/85/88/1188898588.db2.gz DENXWYLDLPAULH-GTAWCEEGSA-N 2 1 314.473 3.323 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001553868853 1188952953 /nfs/dbraw/zinc/95/29/53/1188952953.db2.gz OEPYZTNGXONPIQ-INIZCTEOSA-N 2 1 306.413 3.348 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c12 ZINC001559070469 1189167516 /nfs/dbraw/zinc/16/75/16/1189167516.db2.gz HIWYZXWTOINOGV-OKILXGFUSA-N 2 1 315.465 3.252 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c12 ZINC001559070469 1189167566 /nfs/dbraw/zinc/16/75/66/1189167566.db2.gz HIWYZXWTOINOGV-OKILXGFUSA-N 2 1 315.465 3.252 20 0 DGADMP CC(C)[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689302 1189232169 /nfs/dbraw/zinc/23/21/69/1189232169.db2.gz MBWUZJQHDQADHN-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689302 1189232172 /nfs/dbraw/zinc/23/21/72/1189232172.db2.gz MBWUZJQHDQADHN-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001559689302 1189232175 /nfs/dbraw/zinc/23/21/75/1189232175.db2.gz MBWUZJQHDQADHN-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001559689302 1189232178 /nfs/dbraw/zinc/23/21/78/1189232178.db2.gz MBWUZJQHDQADHN-WOJBJXKFSA-N 2 1 318.505 3.380 20 0 DGADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001559738157 1189237651 /nfs/dbraw/zinc/23/76/51/1189237651.db2.gz WYYIEJAIRFGCGT-RDJZCZTQSA-N 2 1 302.462 3.438 20 0 DGADMP CCC[C@H](C(=O)OCC)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001560043260 1189272401 /nfs/dbraw/zinc/27/24/01/1189272401.db2.gz STERCQQQYMGROD-GOSISDBHSA-N 2 1 320.477 3.302 20 0 DGADMP CCC[C@H](C(=O)OCC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001560043260 1189272407 /nfs/dbraw/zinc/27/24/07/1189272407.db2.gz STERCQQQYMGROD-GOSISDBHSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117836 1189280410 /nfs/dbraw/zinc/28/04/10/1189280410.db2.gz IORHKSQNHTZHPG-SJORKVTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117836 1189280413 /nfs/dbraw/zinc/28/04/13/1189280413.db2.gz IORHKSQNHTZHPG-SJORKVTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117836 1189280416 /nfs/dbraw/zinc/28/04/16/1189280416.db2.gz IORHKSQNHTZHPG-SJORKVTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001560117836 1189280418 /nfs/dbraw/zinc/28/04/18/1189280418.db2.gz IORHKSQNHTZHPG-SJORKVTESA-N 2 1 324.896 3.221 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC001560217299 1189291626 /nfs/dbraw/zinc/29/16/26/1189291626.db2.gz HTVHNQAJDBDIIU-ZCNNSNEGSA-N 2 1 321.553 3.444 20 0 DGADMP CC[C@H]1CCC[C@H](C[NH2+]CCCCN2CC[NH+](CC)CC2)C1 ZINC001560264799 1189302550 /nfs/dbraw/zinc/30/25/50/1189302550.db2.gz OYWCVJXZUPXUPA-OALUTQOASA-N 2 1 309.542 3.210 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001560291356 1189305930 /nfs/dbraw/zinc/30/59/30/1189305930.db2.gz NEUCQFGJNUAIHT-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001560291356 1189305933 /nfs/dbraw/zinc/30/59/33/1189305933.db2.gz NEUCQFGJNUAIHT-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001560291356 1189305936 /nfs/dbraw/zinc/30/59/36/1189305936.db2.gz NEUCQFGJNUAIHT-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001560291356 1189305938 /nfs/dbraw/zinc/30/59/38/1189305938.db2.gz NEUCQFGJNUAIHT-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001560291356 1189305941 /nfs/dbraw/zinc/30/59/41/1189305941.db2.gz NEUCQFGJNUAIHT-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001560336524 1189312942 /nfs/dbraw/zinc/31/29/42/1189312942.db2.gz RXVYRSFDKMCQNB-GUDVDZBRSA-N 2 1 310.526 3.418 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c(F)cccc1Cl ZINC001560371085 1189319247 /nfs/dbraw/zinc/31/92/47/1189319247.db2.gz IIGXGUAXOOAZJL-UHFFFAOYSA-N 2 1 307.800 3.272 20 0 DGADMP COc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560436009 1189328270 /nfs/dbraw/zinc/32/82/70/1189328270.db2.gz MWPQENAFJWMMFB-WBVHZDCISA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560436009 1189328273 /nfs/dbraw/zinc/32/82/73/1189328273.db2.gz MWPQENAFJWMMFB-WBVHZDCISA-N 2 1 302.462 3.438 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001560547213 1189339002 /nfs/dbraw/zinc/33/90/02/1189339002.db2.gz ZAIZBYQTUBTYNY-KRWDZBQOSA-N 2 1 316.489 3.469 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1ccns1 ZINC001560571501 1189343293 /nfs/dbraw/zinc/34/32/93/1189343293.db2.gz VZXGDHHLKNQHAK-UHFFFAOYSA-N 2 1 317.502 3.433 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(SC(F)F)cc3)[C@@H]2C1 ZINC001560623214 1189350359 /nfs/dbraw/zinc/35/03/59/1189350359.db2.gz RLCRASMCDGWXKB-NWANDNLSSA-N 2 1 312.429 3.431 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)CC1 ZINC001560631784 1189351855 /nfs/dbraw/zinc/35/18/55/1189351855.db2.gz LADJIURCHFFQSS-IBGZPJMESA-N 2 1 314.473 3.456 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2Cc2cccc(OC)c2)CC1 ZINC001560646173 1189354729 /nfs/dbraw/zinc/35/47/29/1189354729.db2.gz RXDSQVNYEDYDHY-IBGZPJMESA-N 2 1 316.489 3.434 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC001560667615 1189358292 /nfs/dbraw/zinc/35/82/92/1189358292.db2.gz NJHQTYFGKIYTPR-PMACEKPBSA-N 2 1 316.489 3.306 20 0 DGADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001560947760 1189409714 /nfs/dbraw/zinc/40/97/14/1189409714.db2.gz HEDHPRNZXGRCTN-KXBFYZLASA-N 2 1 320.525 3.097 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001569518296 1190712064 /nfs/dbraw/zinc/71/20/64/1190712064.db2.gz DRWYHBDFZJNTRI-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)(C)[NH2+]CCN1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575141207 1191469184 /nfs/dbraw/zinc/46/91/84/1191469184.db2.gz MBJQPJQTJXDKPH-HNNXBMFYSA-N 2 1 306.498 3.206 20 0 DGADMP CC(C)(C)Oc1ccc(CC[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001575258630 1191470593 /nfs/dbraw/zinc/47/05/93/1191470593.db2.gz MXTQXQVKLCQBDM-CYBMUJFWSA-N 2 1 318.383 3.276 20 0 DGADMP CC(C)(C)c1ccc(C[C@]2(C)CCC[N@H+]2C[C@H](O)CC[NH3+])cc1 ZINC001575272239 1191471303 /nfs/dbraw/zinc/47/13/03/1191471303.db2.gz HKLVNFSHVQXUFO-QUCCMNQESA-N 2 1 318.505 3.091 20 0 DGADMP CC(C)O[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001575740959 1191505221 /nfs/dbraw/zinc/50/52/21/1191505221.db2.gz KLCIEIUGNMDJCM-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001575943628 1191518292 /nfs/dbraw/zinc/51/82/92/1191518292.db2.gz ZFUSYWVRSYMQMA-GTAWCEEGSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001576117332 1191532126 /nfs/dbraw/zinc/53/21/26/1191532126.db2.gz MUGXRHYCBLDOBR-RHSMWYFYSA-N 2 1 318.461 3.201 20 0 DGADMP CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001576461507 1191814199 /nfs/dbraw/zinc/81/41/99/1191814199.db2.gz WHDNBWCQZPHRDT-HNNXBMFYSA-N 2 1 321.896 3.240 20 0 DGADMP CC1(C)C[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)Cc2ccccc2O1 ZINC001576457346 1191815926 /nfs/dbraw/zinc/81/59/26/1191815926.db2.gz BDKTTXCZQHTLQY-WKILWMFISA-N 2 1 302.462 3.425 20 0 DGADMP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070544 1193724284 /nfs/dbraw/zinc/72/42/84/1193724284.db2.gz RAWIBNSZFXOSTK-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070544 1193724286 /nfs/dbraw/zinc/72/42/86/1193724286.db2.gz RAWIBNSZFXOSTK-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001618070544 1193724291 /nfs/dbraw/zinc/72/42/91/1193724291.db2.gz RAWIBNSZFXOSTK-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001618070544 1193724292 /nfs/dbraw/zinc/72/42/92/1193724292.db2.gz RAWIBNSZFXOSTK-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@](O)(CN(C)C)C2)cc1 ZINC001618930695 1193754800 /nfs/dbraw/zinc/75/48/00/1193754800.db2.gz AYYFSNCNHHSNCN-APWZRJJASA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@@H](C)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618930695 1193754803 /nfs/dbraw/zinc/75/48/03/1193754803.db2.gz AYYFSNCNHHSNCN-APWZRJJASA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618930695 1193754805 /nfs/dbraw/zinc/75/48/05/1193754805.db2.gz AYYFSNCNHHSNCN-APWZRJJASA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618930695 1193754806 /nfs/dbraw/zinc/75/48/06/1193754806.db2.gz AYYFSNCNHHSNCN-APWZRJJASA-N 2 1 304.478 3.260 20 0 DGADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@](O)(CN(C)C)C2)cc1 ZINC001618932712 1193754861 /nfs/dbraw/zinc/75/48/61/1193754861.db2.gz YDRRIRWWWAOUQE-FQEVSTJZSA-N 2 1 318.505 3.263 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@](O)(CN(C)C)C2)cc1 ZINC001618932712 1193754862 /nfs/dbraw/zinc/75/48/62/1193754862.db2.gz YDRRIRWWWAOUQE-FQEVSTJZSA-N 2 1 318.505 3.263 20 0 DGADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618932712 1193754864 /nfs/dbraw/zinc/75/48/64/1193754864.db2.gz YDRRIRWWWAOUQE-FQEVSTJZSA-N 2 1 318.505 3.263 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001618932712 1193754868 /nfs/dbraw/zinc/75/48/68/1193754868.db2.gz YDRRIRWWWAOUQE-FQEVSTJZSA-N 2 1 318.505 3.263 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC001621099827 1193757888 /nfs/dbraw/zinc/75/78/88/1193757888.db2.gz LGJSPEFRHNZUAT-RBUKOAKNSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CC3(O)CCCCCC3)CC2)[nH+]c1C ZINC001620587586 1193781422 /nfs/dbraw/zinc/78/14/22/1193781422.db2.gz OEFVKXYSLLBBIJ-UHFFFAOYSA-N 2 1 305.466 3.291 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001621107946 1193802917 /nfs/dbraw/zinc/80/29/17/1193802917.db2.gz DEFQVRCUROLPLG-OKZBNKHCSA-N 2 1 302.462 3.151 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001621107946 1193802919 /nfs/dbraw/zinc/80/29/19/1193802919.db2.gz DEFQVRCUROLPLG-OKZBNKHCSA-N 2 1 302.462 3.151 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(F)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001621108145 1193803772 /nfs/dbraw/zinc/80/37/72/1193803772.db2.gz IOXNEEOBVGJRHF-GLQYFDAESA-N 2 1 316.342 3.274 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC001621521437 1193853760 /nfs/dbraw/zinc/85/37/60/1193853760.db2.gz ZXZMFWGSBNZHGK-HNNXBMFYSA-N 2 1 308.416 3.486 20 0 DGADMP CCC[C@H](C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001621528525 1193854576 /nfs/dbraw/zinc/85/45/76/1193854576.db2.gz BSBYOUMLCKTKHH-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@H](C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001621528525 1193854579 /nfs/dbraw/zinc/85/45/79/1193854579.db2.gz BSBYOUMLCKTKHH-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@H](C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001621528525 1193854580 /nfs/dbraw/zinc/85/45/80/1193854580.db2.gz BSBYOUMLCKTKHH-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001639272090 1194758257 /nfs/dbraw/zinc/75/82/57/1194758257.db2.gz KEAPDYWKGVGJHQ-VXGBXAGGSA-N 2 1 301.356 3.055 20 0 DGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)ccc1C[NH+](C)C ZINC001642432703 1194910034 /nfs/dbraw/zinc/91/00/34/1194910034.db2.gz CSNGHEAQIWVEDL-QGZVFWFLSA-N 2 1 317.477 3.116 20 0 DGADMP CO[C@H](CC(C)C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001642940842 1194955430 /nfs/dbraw/zinc/95/54/30/1194955430.db2.gz LSABFBHGSIWNMO-HSALFYBXSA-N 2 1 316.489 3.111 20 0 DGADMP CO[C@H](CC(C)C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001642940842 1194955435 /nfs/dbraw/zinc/95/54/35/1194955435.db2.gz LSABFBHGSIWNMO-HSALFYBXSA-N 2 1 316.489 3.111 20 0 DGADMP CO[C@H](CC(C)C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001642940842 1194955436 /nfs/dbraw/zinc/95/54/36/1194955436.db2.gz LSABFBHGSIWNMO-HSALFYBXSA-N 2 1 316.489 3.111 20 0 DGADMP Cc1c(C)c(C)c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(C)c1C ZINC001642944414 1194955746 /nfs/dbraw/zinc/95/57/46/1194955746.db2.gz ADRDZEYOVVNSEO-UHFFFAOYSA-N 2 1 312.461 3.274 20 0 DGADMP Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)CN(C)C2CC2)c(C)c1 ZINC001643545593 1195033667 /nfs/dbraw/zinc/03/36/67/1195033667.db2.gz GONTXIMBVGBFNT-HXUWFJFHSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)c(C)c1 ZINC001643545593 1195033673 /nfs/dbraw/zinc/03/36/73/1195033673.db2.gz GONTXIMBVGBFNT-HXUWFJFHSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)c(C)c1 ZINC001643545593 1195033679 /nfs/dbraw/zinc/03/36/79/1195033679.db2.gz GONTXIMBVGBFNT-HXUWFJFHSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC001643545593 1195033683 /nfs/dbraw/zinc/03/36/83/1195033683.db2.gz GONTXIMBVGBFNT-HXUWFJFHSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC001643545593 1195033688 /nfs/dbraw/zinc/03/36/88/1195033688.db2.gz GONTXIMBVGBFNT-HXUWFJFHSA-N 2 1 318.505 3.217 20 0 DGADMP COCC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC001644099488 1195081254 /nfs/dbraw/zinc/08/12/54/1195081254.db2.gz UDOCOAVVTCGPNR-ROUUACIJSA-N 2 1 310.526 3.493 20 0 DGADMP COCC[N@@H+](CC/C=C/c1ccccc1)CC1CC[NH+](C)CC1 ZINC001644099507 1195081353 /nfs/dbraw/zinc/08/13/53/1195081353.db2.gz UURZZRDHGWASPG-UXBLZVDNSA-N 2 1 316.489 3.380 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1COC1 ZINC001645832360 1195204071 /nfs/dbraw/zinc/20/40/71/1195204071.db2.gz HPMHYJYSKYVOGP-UHFFFAOYSA-N 2 1 302.462 3.282 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001649271289 1195331817 /nfs/dbraw/zinc/33/18/17/1195331817.db2.gz ZYHLCSMLOHLUDA-CYBMUJFWSA-N 2 1 316.367 3.059 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001649271289 1195331810 /nfs/dbraw/zinc/33/18/10/1195331810.db2.gz ZYHLCSMLOHLUDA-CYBMUJFWSA-N 2 1 316.367 3.059 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H](C)C1 ZINC001649488806 1195348932 /nfs/dbraw/zinc/34/89/32/1195348932.db2.gz IEPUVXCAGAVCHW-HKUYNNGSSA-N 2 1 304.478 3.222 20 0 DGADMP CC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccccc1F ZINC001650654394 1195368914 /nfs/dbraw/zinc/36/89/14/1195368914.db2.gz ZSAVAGKYBJRVCN-HNNXBMFYSA-N 2 1 317.408 3.234 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1C ZINC001651226845 1195429005 /nfs/dbraw/zinc/42/90/05/1195429005.db2.gz DPSVMTAKEZKQKV-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1C ZINC001651226845 1195429010 /nfs/dbraw/zinc/42/90/10/1195429010.db2.gz DPSVMTAKEZKQKV-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001651380047 1195452427 /nfs/dbraw/zinc/45/24/27/1195452427.db2.gz LIEDFDZDBQHXDX-CYBMUJFWSA-N 2 1 320.868 3.264 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCCC[N@@H+]3CCC[C@@H](C)C3)c12 ZINC001651384618 1195453389 /nfs/dbraw/zinc/45/33/89/1195453389.db2.gz NKTIIBGFSSDTHQ-CQSZACIVSA-N 2 1 315.465 3.396 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCCC[N@H+]3CCC[C@@H](C)C3)c12 ZINC001651384618 1195453392 /nfs/dbraw/zinc/45/33/92/1195453392.db2.gz NKTIIBGFSSDTHQ-CQSZACIVSA-N 2 1 315.465 3.396 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H](C)C[NH+]3CCCCC3)c12 ZINC001651406494 1195455695 /nfs/dbraw/zinc/45/56/95/1195455695.db2.gz KQYMLBVCNMHHEL-ZDUSSCGKSA-N 2 1 301.438 3.006 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2N2CCCC2)CC1 ZINC001652033580 1195539017 /nfs/dbraw/zinc/53/90/17/1195539017.db2.gz YDKHNSTVDUUVCE-UHFFFAOYSA-N 2 1 315.505 3.451 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC001652091607 1195546662 /nfs/dbraw/zinc/54/66/62/1195546662.db2.gz ODXLZLBZLOLWIL-UHFFFAOYSA-N 2 1 312.404 3.452 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001652177362 1195557490 /nfs/dbraw/zinc/55/74/90/1195557490.db2.gz XXDMNCPMRYMBJD-RYRKJORJSA-N 2 1 308.510 3.434 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC001652389527 1195591331 /nfs/dbraw/zinc/59/13/31/1195591331.db2.gz CJZCXFQLOGCOKB-QZTJIDSGSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(=O)CCCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001652443150 1195598733 /nfs/dbraw/zinc/59/87/33/1195598733.db2.gz XVOJAWRGHQYJDJ-UHFFFAOYSA-N 2 1 312.498 3.162 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000067222669 1195608956 /nfs/dbraw/zinc/60/89/56/1195608956.db2.gz QAQRTWCFYDAKNR-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000067222669 1195608962 /nfs/dbraw/zinc/60/89/62/1195608962.db2.gz QAQRTWCFYDAKNR-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683463 1195635932 /nfs/dbraw/zinc/63/59/32/1195635932.db2.gz XQJXMRJGMIUMOK-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683463 1195635937 /nfs/dbraw/zinc/63/59/37/1195635937.db2.gz XQJXMRJGMIUMOK-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683463 1195635943 /nfs/dbraw/zinc/63/59/43/1195635943.db2.gz XQJXMRJGMIUMOK-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683463 1195635947 /nfs/dbraw/zinc/63/59/47/1195635947.db2.gz XQJXMRJGMIUMOK-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001652684548 1195636340 /nfs/dbraw/zinc/63/63/40/1195636340.db2.gz MARSNHGKGKBPFX-WBVHZDCISA-N 2 1 324.509 3.018 20 0 DGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001652882450 1195666263 /nfs/dbraw/zinc/66/62/63/1195666263.db2.gz NRIIJSUATAWQAC-QAPCUYQASA-N 2 1 318.461 3.025 20 0 DGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001652882450 1195666265 /nfs/dbraw/zinc/66/62/65/1195666265.db2.gz NRIIJSUATAWQAC-QAPCUYQASA-N 2 1 318.461 3.025 20 0 DGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001652882448 1195667092 /nfs/dbraw/zinc/66/70/92/1195667092.db2.gz NRIIJSUATAWQAC-CRAIPNDOSA-N 2 1 318.461 3.025 20 0 DGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001652882448 1195667095 /nfs/dbraw/zinc/66/70/95/1195667095.db2.gz NRIIJSUATAWQAC-CRAIPNDOSA-N 2 1 318.461 3.025 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001653265823 1195704896 /nfs/dbraw/zinc/70/48/96/1195704896.db2.gz GBASWQBTYSGKBE-KRWDZBQOSA-N 2 1 304.478 3.097 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001653367153 1195714820 /nfs/dbraw/zinc/71/48/20/1195714820.db2.gz OTSDRNCWSOGLCJ-YJBOKZPZSA-N 2 1 308.441 3.052 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000069160475 1195777513 /nfs/dbraw/zinc/77/75/13/1195777513.db2.gz QYVZFLOFXUMWPP-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1c(C)nc2ccccn21 ZINC001655165925 1195885185 /nfs/dbraw/zinc/88/51/85/1195885185.db2.gz SKHGVVQHZHHWOO-UHFFFAOYSA-N 2 1 302.466 3.244 20 0 DGADMP CC(C)c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)nc(C(C)C)n1 ZINC001655956113 1195982417 /nfs/dbraw/zinc/98/24/17/1195982417.db2.gz ZAZJKHFKKGHDJC-RBSFLKMASA-N 2 1 302.466 3.476 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC001656031223 1195989203 /nfs/dbraw/zinc/98/92/03/1195989203.db2.gz AYEFYILCLPVAER-UHFFFAOYSA-N 2 1 320.868 3.346 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CCn3cc[nH+]c3C)s2)o1 ZINC001656248603 1196023088 /nfs/dbraw/zinc/02/30/88/1196023088.db2.gz GJDMKHRYUBFCLW-UHFFFAOYSA-N 2 1 302.403 3.006 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](CNCc2c[nH]c(-c3ccccc3)n2)C1 ZINC001656395111 1196035724 /nfs/dbraw/zinc/03/57/24/1196035724.db2.gz GQIGYICXJLVZEG-INIZCTEOSA-N 2 1 312.461 3.287 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001656395111 1196035733 /nfs/dbraw/zinc/03/57/33/1196035733.db2.gz GQIGYICXJLVZEG-INIZCTEOSA-N 2 1 312.461 3.287 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001656395111 1196035735 /nfs/dbraw/zinc/03/57/35/1196035735.db2.gz GQIGYICXJLVZEG-INIZCTEOSA-N 2 1 312.461 3.287 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001656753962 1196069273 /nfs/dbraw/zinc/06/92/73/1196069273.db2.gz WLVSUWBCAWVFOQ-PMACEKPBSA-N 2 1 316.489 3.228 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001656753962 1196069275 /nfs/dbraw/zinc/06/92/75/1196069275.db2.gz WLVSUWBCAWVFOQ-PMACEKPBSA-N 2 1 316.489 3.228 20 0 DGADMP COc1ccc(F)c(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001656787535 1196071459 /nfs/dbraw/zinc/07/14/59/1196071459.db2.gz SXGLGMREEPMWSG-GASCZTMLSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001656802023 1196072771 /nfs/dbraw/zinc/07/27/71/1196072771.db2.gz LHKJXBCWSGLSFD-RCCFBDPRSA-N 2 1 314.473 3.159 20 0 DGADMP O[C@@H](C[NH2+]Cc1ccc2oc3ccccc3c2c1)C[NH+]1CCCC1 ZINC001656947076 1196085916 /nfs/dbraw/zinc/08/59/16/1196085916.db2.gz KDVOIWXLQVFWSU-INIZCTEOSA-N 2 1 324.424 3.132 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001658210501 1196226076 /nfs/dbraw/zinc/22/60/76/1196226076.db2.gz YKCAZQDZIRLMBQ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001658210501 1196226081 /nfs/dbraw/zinc/22/60/81/1196226081.db2.gz YKCAZQDZIRLMBQ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001658210501 1196226086 /nfs/dbraw/zinc/22/60/86/1196226086.db2.gz YKCAZQDZIRLMBQ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccc(OC)cc2)C1 ZINC001658210501 1196226090 /nfs/dbraw/zinc/22/60/90/1196226090.db2.gz YKCAZQDZIRLMBQ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001658586147 1196276488 /nfs/dbraw/zinc/27/64/88/1196276488.db2.gz IYPOHXKBXNCURJ-LPHOPBHVSA-N 2 1 304.478 3.312 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC001658777949 1196299251 /nfs/dbraw/zinc/29/92/51/1196299251.db2.gz MUUUAGXJJWRQSQ-ILZDJORESA-N 2 1 316.489 3.188 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1C ZINC001658777950 1196299318 /nfs/dbraw/zinc/29/93/18/1196299318.db2.gz MUUUAGXJJWRQSQ-IMFGXOCKSA-N 2 1 316.489 3.188 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)s3)[C@@H]2C1 ZINC001658778046 1196299371 /nfs/dbraw/zinc/29/93/71/1196299371.db2.gz PQOYIEGXFWYVAH-MVWJERBFSA-N 2 1 304.381 3.197 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001658831235 1196306734 /nfs/dbraw/zinc/30/67/34/1196306734.db2.gz VLRKYPUJOUUREC-QFBILLFUSA-N 2 1 304.478 3.168 20 0 DGADMP CCCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001658830588 1196306822 /nfs/dbraw/zinc/30/68/22/1196306822.db2.gz PQRLGTDZFVHWRH-RTBURBONSA-N 2 1 304.478 3.312 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001658831236 1196307001 /nfs/dbraw/zinc/30/70/01/1196307001.db2.gz VLRKYPUJOUUREC-VQIMIIECSA-N 2 1 304.478 3.168 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC001658854422 1196309283 /nfs/dbraw/zinc/30/92/83/1196309283.db2.gz HQWCUKXNWPKKIR-MAUKXSAKSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC001658854422 1196309286 /nfs/dbraw/zinc/30/92/86/1196309286.db2.gz HQWCUKXNWPKKIR-MAUKXSAKSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC001658854422 1196309289 /nfs/dbraw/zinc/30/92/89/1196309289.db2.gz HQWCUKXNWPKKIR-MAUKXSAKSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC001658854421 1196309516 /nfs/dbraw/zinc/30/95/16/1196309516.db2.gz HQWCUKXNWPKKIR-CRAIPNDOSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC001658854421 1196309521 /nfs/dbraw/zinc/30/95/21/1196309521.db2.gz HQWCUKXNWPKKIR-CRAIPNDOSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC001658854421 1196309525 /nfs/dbraw/zinc/30/95/25/1196309525.db2.gz HQWCUKXNWPKKIR-CRAIPNDOSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001658975574 1196327447 /nfs/dbraw/zinc/32/74/47/1196327447.db2.gz RRXFEAQBZGTQGL-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCSc2ccc(OC)cc2)C1 ZINC001658975574 1196327451 /nfs/dbraw/zinc/32/74/51/1196327451.db2.gz RRXFEAQBZGTQGL-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001659035628 1196335233 /nfs/dbraw/zinc/33/52/33/1196335233.db2.gz WFVHDLNILZLCJG-BHIYHBOVSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCCN3C)CC2)C1 ZINC001659035628 1196335241 /nfs/dbraw/zinc/33/52/41/1196335241.db2.gz WFVHDLNILZLCJG-BHIYHBOVSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@]1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCO1 ZINC001659055025 1196337641 /nfs/dbraw/zinc/33/76/41/1196337641.db2.gz RMVBLIRWRHEJOV-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001659118006 1196346238 /nfs/dbraw/zinc/34/62/38/1196346238.db2.gz GCTBHRINNROLSO-YIBWGGGYSA-N 2 1 308.416 3.216 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCc4ccc(F)cc4)C[C@@]2(C1)CCCC3 ZINC001659123146 1196348540 /nfs/dbraw/zinc/34/85/40/1196348540.db2.gz ZFRGAYARWCGHSB-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCc4ccc(F)cc4)C[C@@]2(C1)CCCC3 ZINC001659123146 1196348542 /nfs/dbraw/zinc/34/85/42/1196348542.db2.gz ZFRGAYARWCGHSB-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCc4ccc(F)cc4)C[C@@]2(C1)CCCC3 ZINC001659123146 1196348547 /nfs/dbraw/zinc/34/85/47/1196348547.db2.gz ZFRGAYARWCGHSB-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001659341084 1196372438 /nfs/dbraw/zinc/37/24/38/1196372438.db2.gz IZECHEZPMSEWKP-FUHIMQAGSA-N 2 1 318.505 3.033 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001659341084 1196372443 /nfs/dbraw/zinc/37/24/43/1196372443.db2.gz IZECHEZPMSEWKP-FUHIMQAGSA-N 2 1 318.505 3.033 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1C(C)=CCC[C@@H]1C ZINC001659691478 1196406300 /nfs/dbraw/zinc/40/63/00/1196406300.db2.gz PAHUDZTZAOFEKB-ZCNNSNEGSA-N 2 1 321.553 3.327 20 0 DGADMP CCOCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC001659765228 1196412747 /nfs/dbraw/zinc/41/27/47/1196412747.db2.gz SWUAWGICJWHYKE-UYAOXDASSA-N 2 1 316.489 3.497 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000075760844 1196418330 /nfs/dbraw/zinc/41/83/30/1196418330.db2.gz HLCNZRKYMWRLDG-UHFFFAOYSA-N 2 1 312.404 3.498 20 0 DGADMP CC(C)C1CCC(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC001660375541 1196477158 /nfs/dbraw/zinc/47/71/58/1196477158.db2.gz SEUGQCJDCNWIKN-ACBHZAAOSA-N 2 1 310.526 3.491 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001660593308 1196500723 /nfs/dbraw/zinc/50/07/23/1196500723.db2.gz RQOSOUACYDTBAB-WMZOPIPTSA-N 2 1 307.441 3.322 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC001660763014 1196520978 /nfs/dbraw/zinc/52/09/78/1196520978.db2.gz QRSNLAGRNPLDAV-UHFFFAOYSA-N 2 1 302.462 3.222 20 0 DGADMP CC[N@H+]1CC[C@@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001660968460 1196547665 /nfs/dbraw/zinc/54/76/65/1196547665.db2.gz JQIJCEXUDZVKTI-IBGZPJMESA-N 2 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@@H](CNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001660968460 1196547669 /nfs/dbraw/zinc/54/76/69/1196547669.db2.gz JQIJCEXUDZVKTI-IBGZPJMESA-N 2 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@@H](CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001660968460 1196547673 /nfs/dbraw/zinc/54/76/73/1196547673.db2.gz JQIJCEXUDZVKTI-IBGZPJMESA-N 2 1 317.521 3.076 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001660968460 1196547679 /nfs/dbraw/zinc/54/76/79/1196547679.db2.gz JQIJCEXUDZVKTI-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001660968460 1196547683 /nfs/dbraw/zinc/54/76/83/1196547683.db2.gz JQIJCEXUDZVKTI-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001660968460 1196547703 /nfs/dbraw/zinc/54/77/03/1196547703.db2.gz JQIJCEXUDZVKTI-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001660968460 1196547709 /nfs/dbraw/zinc/54/77/09/1196547709.db2.gz JQIJCEXUDZVKTI-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP CC[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001661454842 1196607182 /nfs/dbraw/zinc/60/71/82/1196607182.db2.gz WIRFRORMSLPWGT-IEBWSBKVSA-N 2 1 304.478 3.007 20 0 DGADMP COc1cc(C)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001662194146 1196693017 /nfs/dbraw/zinc/69/30/17/1196693017.db2.gz OGEZMPRLDGUCRI-INIZCTEOSA-N 2 1 320.477 3.366 20 0 DGADMP CCCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001662520179 1196727111 /nfs/dbraw/zinc/72/71/11/1196727111.db2.gz CORQRUUSMUTEAN-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C\c1c(C)cc(C)cc1C ZINC001662788299 1196751852 /nfs/dbraw/zinc/75/18/52/1196751852.db2.gz NLKYGYIUJVFGSL-QWUACUGRSA-N 2 1 318.505 3.307 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001663483092 1196884013 /nfs/dbraw/zinc/88/40/13/1196884013.db2.gz IODYKCDVJJYCBS-VNQPRFMTSA-N 2 1 312.379 3.444 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001663568238 1196906118 /nfs/dbraw/zinc/90/61/18/1196906118.db2.gz QOCJSSQCWDVWDA-FQEVSTJZSA-N 2 1 315.505 3.097 20 0 DGADMP CSCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC001664618938 1197021641 /nfs/dbraw/zinc/02/16/41/1197021641.db2.gz VVOGBZQGNZIYQT-QZTJIDSGSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC001664618938 1197021646 /nfs/dbraw/zinc/02/16/46/1197021646.db2.gz VVOGBZQGNZIYQT-QZTJIDSGSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC001664618938 1197021651 /nfs/dbraw/zinc/02/16/51/1197021651.db2.gz VVOGBZQGNZIYQT-QZTJIDSGSA-N 2 1 304.503 3.466 20 0 DGADMP CCC[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001664686220 1197034630 /nfs/dbraw/zinc/03/46/30/1197034630.db2.gz KNHRHVATHBJUOX-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001664686220 1197034634 /nfs/dbraw/zinc/03/46/34/1197034634.db2.gz KNHRHVATHBJUOX-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001664686220 1197034639 /nfs/dbraw/zinc/03/46/39/1197034639.db2.gz KNHRHVATHBJUOX-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001664686221 1197035352 /nfs/dbraw/zinc/03/53/52/1197035352.db2.gz KNHRHVATHBJUOX-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001664686221 1197035357 /nfs/dbraw/zinc/03/53/57/1197035357.db2.gz KNHRHVATHBJUOX-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001664686221 1197035362 /nfs/dbraw/zinc/03/53/62/1197035362.db2.gz KNHRHVATHBJUOX-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP Nc1ncccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001664931032 1197079340 /nfs/dbraw/zinc/07/93/40/1197079340.db2.gz HRAALVHAWPHWPR-GOSISDBHSA-N 2 1 324.472 3.056 20 0 DGADMP Nc1ncccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001664931032 1197079344 /nfs/dbraw/zinc/07/93/44/1197079344.db2.gz HRAALVHAWPHWPR-GOSISDBHSA-N 2 1 324.472 3.056 20 0 DGADMP CCc1[nH]nc(Cl)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001665533658 1197148366 /nfs/dbraw/zinc/14/83/66/1197148366.db2.gz PETGBPNZUKVZEC-UHFFFAOYSA-N 2 1 312.889 3.323 20 0 DGADMP CCc1[nH]nc(Cl)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001665533658 1197148372 /nfs/dbraw/zinc/14/83/72/1197148372.db2.gz PETGBPNZUKVZEC-UHFFFAOYSA-N 2 1 312.889 3.323 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)C1CCCCC1 ZINC001665895340 1197213026 /nfs/dbraw/zinc/21/30/26/1197213026.db2.gz CGNIULPGKUCSET-WJFTUGDTSA-N 2 1 308.510 3.244 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000322965193 1197689105 /nfs/dbraw/zinc/68/91/05/1197689105.db2.gz VRFKHBSNUZVOSS-XLIONFOSSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000322965192 1197689436 /nfs/dbraw/zinc/68/94/36/1197689436.db2.gz VRFKHBSNUZVOSS-PXNSSMCTSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000323296802 1197690138 /nfs/dbraw/zinc/69/01/38/1197690138.db2.gz NDOATGHASWYKDJ-AEFFLSMTSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000378919465 1197702206 /nfs/dbraw/zinc/70/22/06/1197702206.db2.gz CCUXMTUXRDLRHC-KGLIPLIRSA-N 2 1 324.852 3.074 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000378919465 1197702209 /nfs/dbraw/zinc/70/22/09/1197702209.db2.gz CCUXMTUXRDLRHC-KGLIPLIRSA-N 2 1 324.852 3.074 20 0 DGADMP C[N@H+](Cc1ccc(F)c(Br)c1)CC1CC[NH2+]CC1 ZINC000094011091 1198747644 /nfs/dbraw/zinc/74/76/44/1198747644.db2.gz AYLQFBAULMXZOW-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000300147229 1199346863 /nfs/dbraw/zinc/34/68/63/1199346863.db2.gz ZEZAMLAFHSTRRQ-OLZOCXBDSA-N 2 1 311.267 3.442 20 0 DGADMP OC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000404196428 1199538594 /nfs/dbraw/zinc/53/85/94/1199538594.db2.gz PLUIZMCRMQRQBY-UHFFFAOYSA-N 2 1 316.489 3.326 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000316817699 1199818030 /nfs/dbraw/zinc/81/80/30/1199818030.db2.gz OYGVUCZCLJMEOL-FAEJEUNOSA-N 2 1 304.478 3.479 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000318859846 1199835838 /nfs/dbraw/zinc/83/58/38/1199835838.db2.gz OTIOTTSYONPMKC-CVEARBPZSA-N 2 1 302.462 3.090 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120065515 1200130730 /nfs/dbraw/zinc/13/07/30/1200130730.db2.gz CFRWXJNLOAGVFX-YLJYHZDGSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000121819200 1200239040 /nfs/dbraw/zinc/23/90/40/1200239040.db2.gz PWAUHQWQLXGEDJ-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000121841766 1200241585 /nfs/dbraw/zinc/24/15/85/1200241585.db2.gz HLONEGDWSMHXIH-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CCCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754675971 1200436717 /nfs/dbraw/zinc/43/67/17/1200436717.db2.gz CFMDFSXRSGLZOB-IBGZPJMESA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754675971 1200436719 /nfs/dbraw/zinc/43/67/19/1200436719.db2.gz CFMDFSXRSGLZOB-IBGZPJMESA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754675971 1200436721 /nfs/dbraw/zinc/43/67/21/1200436721.db2.gz CFMDFSXRSGLZOB-IBGZPJMESA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000127602377 1200692443 /nfs/dbraw/zinc/69/24/43/1200692443.db2.gz VIJSOAXCNIRITC-CYBMUJFWSA-N 2 1 305.447 3.143 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)s2)o1 ZINC000127602377 1200692447 /nfs/dbraw/zinc/69/24/47/1200692447.db2.gz VIJSOAXCNIRITC-CYBMUJFWSA-N 2 1 305.447 3.143 20 0 DGADMP CCC[N@H+](CC=C(C)C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753143163 1202161455 /nfs/dbraw/zinc/16/14/55/1202161455.db2.gz LSYGOMQZGDAQJY-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001700765079 1202350439 /nfs/dbraw/zinc/35/04/39/1202350439.db2.gz MLPSOIAZZHSTEN-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000151378713 1202592230 /nfs/dbraw/zinc/59/22/30/1202592230.db2.gz BWFKFAQADGFVDL-CYBMUJFWSA-N 2 1 323.278 3.331 20 0 DGADMP Cc1ccc2ncc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)n2c1 ZINC000156920657 1202601684 /nfs/dbraw/zinc/60/16/84/1202601684.db2.gz UZXKATURYOFXJQ-INIZCTEOSA-N 2 1 302.466 3.099 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000235130504 1202604057 /nfs/dbraw/zinc/60/40/57/1202604057.db2.gz IEYVBIIEHZLBAB-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000236721828 1202622160 /nfs/dbraw/zinc/62/21/60/1202622160.db2.gz NRFCRDNRRVKYJW-OALUTQOASA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000236721828 1202622161 /nfs/dbraw/zinc/62/21/61/1202622161.db2.gz NRFCRDNRRVKYJW-OALUTQOASA-N 2 1 302.462 3.438 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000236862165 1202630348 /nfs/dbraw/zinc/63/03/48/1202630348.db2.gz UDWUKNXVQWZNQF-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001717196576 1203597758 /nfs/dbraw/zinc/59/77/58/1203597758.db2.gz HCBVOMKGQKDYMU-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001717196576 1203597759 /nfs/dbraw/zinc/59/77/59/1203597759.db2.gz HCBVOMKGQKDYMU-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001717196576 1203597760 /nfs/dbraw/zinc/59/77/60/1203597760.db2.gz HCBVOMKGQKDYMU-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247973698 1203790320 /nfs/dbraw/zinc/79/03/20/1203790320.db2.gz HORRILVJTPLSCZ-HLLBOEOZSA-N 2 1 310.507 3.392 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247973698 1203790321 /nfs/dbraw/zinc/79/03/21/1203790321.db2.gz HORRILVJTPLSCZ-HLLBOEOZSA-N 2 1 310.507 3.392 20 0 DGADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC=C(C)C)[NH+](CC)CC ZINC001731541135 1204451258 /nfs/dbraw/zinc/45/12/58/1204451258.db2.gz PINSNNOKVHRPIZ-QZTJIDSGSA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001733276071 1205078025 /nfs/dbraw/zinc/07/80/25/1205078025.db2.gz WWJMRPUDRNSJKS-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001733276071 1205078028 /nfs/dbraw/zinc/07/80/28/1205078028.db2.gz WWJMRPUDRNSJKS-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001733276071 1205078030 /nfs/dbraw/zinc/07/80/30/1205078030.db2.gz WWJMRPUDRNSJKS-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001734087945 1205318452 /nfs/dbraw/zinc/31/84/52/1205318452.db2.gz ODOTWFNAMCHFSZ-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC001165039340 721898442 /nfs/dbraw/zinc/89/84/42/721898442.db2.gz VOQATQPGXMXQKK-ZWKOTPCHSA-N 2 1 316.493 3.159 20 0 DGADMP Cc1cc2c(nc[nH+]c2N2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001165047520 721968405 /nfs/dbraw/zinc/96/84/05/721968405.db2.gz JYMLUICPAZGYGQ-HNNXBMFYSA-N 2 1 313.449 3.111 20 0 DGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207383 1104436792 /nfs/dbraw/zinc/43/67/92/1104436792.db2.gz PSEWQYKXTKBDHS-PMPSAXMXSA-N 2 1 314.514 3.486 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC001648785826 1081585444 /nfs/dbraw/zinc/58/54/44/1081585444.db2.gz HLTPJMNRZIJZTB-UHFFFAOYSA-N 2 1 304.409 3.037 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206767456 1081613709 /nfs/dbraw/zinc/61/37/09/1081613709.db2.gz BPMWIMVOIJIZHV-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206767456 1081613711 /nfs/dbraw/zinc/61/37/11/1081613711.db2.gz BPMWIMVOIJIZHV-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC001169668068 1081623750 /nfs/dbraw/zinc/62/37/50/1081623750.db2.gz ZROBEZKGQMUOGM-HKUYNNGSSA-N 2 1 318.505 3.381 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC001169668068 1081623753 /nfs/dbraw/zinc/62/37/53/1081623753.db2.gz ZROBEZKGQMUOGM-HKUYNNGSSA-N 2 1 318.505 3.381 20 0 DGADMP COCc1csc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001206800811 1081655381 /nfs/dbraw/zinc/65/53/81/1081655381.db2.gz OATWKOVSGAYENQ-YOEHRIQHSA-N 2 1 310.507 3.447 20 0 DGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169948602 1081683114 /nfs/dbraw/zinc/68/31/14/1081683114.db2.gz JFAJAEPGDKTIJO-QZTJIDSGSA-N 2 1 322.493 3.013 20 0 DGADMP COCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209055302 1081684734 /nfs/dbraw/zinc/68/47/34/1081684734.db2.gz USDOTURKYYEZHB-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209055302 1081684736 /nfs/dbraw/zinc/68/47/36/1081684736.db2.gz USDOTURKYYEZHB-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209055302 1081684739 /nfs/dbraw/zinc/68/47/39/1081684739.db2.gz USDOTURKYYEZHB-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000072924367 1082065697 /nfs/dbraw/zinc/06/56/97/1082065697.db2.gz VBMHJIPXBJIRBQ-IBGZPJMESA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001170134412 1082168582 /nfs/dbraw/zinc/16/85/82/1082168582.db2.gz BXYPNUGTYFKCLE-SJLPKXTDSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001170134412 1082168584 /nfs/dbraw/zinc/16/85/84/1082168584.db2.gz BXYPNUGTYFKCLE-SJLPKXTDSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000399028324 1082258935 /nfs/dbraw/zinc/25/89/35/1082258935.db2.gz KQSGGKZNELDBNW-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001170409264 1082368207 /nfs/dbraw/zinc/36/82/07/1082368207.db2.gz ZKPJPYFYWKPSOM-ULQDDVLXSA-N 2 1 318.461 3.199 20 0 DGADMP Cc1c[nH]c2nc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)[nH+]cc12 ZINC001170452547 1082478732 /nfs/dbraw/zinc/47/87/32/1082478732.db2.gz BVZPNWBYFKKUAN-UHFFFAOYSA-N 2 1 301.438 3.281 20 0 DGADMP CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001267170689 1082594739 /nfs/dbraw/zinc/59/47/39/1082594739.db2.gz RLLMTYQGUIDJSR-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267170689 1082594748 /nfs/dbraw/zinc/59/47/48/1082594748.db2.gz RLLMTYQGUIDJSR-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001267170689 1082594753 /nfs/dbraw/zinc/59/47/53/1082594753.db2.gz RLLMTYQGUIDJSR-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CCCCC1 ZINC001204598876 1082635733 /nfs/dbraw/zinc/63/57/33/1082635733.db2.gz RBHOPOGCMFBWGU-UHFFFAOYSA-N 2 1 301.478 3.251 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592324 1082786860 /nfs/dbraw/zinc/78/68/60/1082786860.db2.gz CDZHHVZZIBPDEU-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592324 1082786862 /nfs/dbraw/zinc/78/68/62/1082786862.db2.gz CDZHHVZZIBPDEU-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592324 1082786866 /nfs/dbraw/zinc/78/68/66/1082786866.db2.gz CDZHHVZZIBPDEU-PKOBYXMFSA-N 2 1 306.494 3.144 20 0 DGADMP CCC[N@H+](CC=C(C)C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001493316488 1082852624 /nfs/dbraw/zinc/85/26/24/1082852624.db2.gz LMXXZNXLTKKNJJ-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP Cc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c2[nH+]ccn2c1 ZINC001170627036 1082969813 /nfs/dbraw/zinc/96/98/13/1082969813.db2.gz NZHQFMIIGFTZNF-UHFFFAOYSA-N 2 1 324.472 3.377 20 0 DGADMP CC(C)=CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001267512464 1082972217 /nfs/dbraw/zinc/97/22/17/1082972217.db2.gz KVIQXHAORRFYHC-ROUUACIJSA-N 2 1 323.525 3.042 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000708825382 1083041348 /nfs/dbraw/zinc/04/13/48/1083041348.db2.gz MQGXUIBFYZZLLI-QFBILLFUSA-N 2 1 310.441 3.292 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267621920 1083223732 /nfs/dbraw/zinc/22/37/32/1083223732.db2.gz BIGKAAUFMBOWMX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267621920 1083223734 /nfs/dbraw/zinc/22/37/34/1083223734.db2.gz BIGKAAUFMBOWMX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267621920 1083223738 /nfs/dbraw/zinc/22/37/38/1083223738.db2.gz BIGKAAUFMBOWMX-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170750934 1083288867 /nfs/dbraw/zinc/28/88/67/1083288867.db2.gz OIDGUBBVYNAEGP-ROUUACIJSA-N 2 1 323.525 3.090 20 0 DGADMP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772460 1083329836 /nfs/dbraw/zinc/32/98/36/1083329836.db2.gz DLXAKPDRTYSZLU-JKSUJKDBSA-N 2 1 313.530 3.170 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001134773718 1083330300 /nfs/dbraw/zinc/33/03/00/1083330300.db2.gz QSAJESDECSCBLD-JKSUJKDBSA-N 2 1 323.525 3.090 20 0 DGADMP [NH3+]CCC1CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001206500972 1083695148 /nfs/dbraw/zinc/69/51/48/1083695148.db2.gz YGIXSTHHIMIDIV-VBKFSLOCSA-N 2 1 323.278 3.483 20 0 DGADMP CCOc1c(F)cc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1Cl ZINC001222542885 1083715067 /nfs/dbraw/zinc/71/50/67/1083715067.db2.gz MFMJKPKXFWVJOE-UHFFFAOYSA-N 2 1 318.795 3.141 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Br)c2)C1 ZINC001206541482 1083801679 /nfs/dbraw/zinc/80/16/79/1083801679.db2.gz HWYFIYGORKZCHV-HNNXBMFYSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC001206541482 1083801698 /nfs/dbraw/zinc/80/16/98/1083801698.db2.gz HWYFIYGORKZCHV-HNNXBMFYSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205255175 1083878519 /nfs/dbraw/zinc/87/85/19/1083878519.db2.gz HQULAYREJVJNMJ-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001167826601 1084120397 /nfs/dbraw/zinc/12/03/97/1084120397.db2.gz RETUMPKEBVKUGL-RBUKOAKNSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001167826601 1084120400 /nfs/dbraw/zinc/12/04/00/1084120400.db2.gz RETUMPKEBVKUGL-RBUKOAKNSA-N 2 1 309.542 3.447 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@H]2C1 ZINC001184303214 1084143715 /nfs/dbraw/zinc/14/37/15/1084143715.db2.gz NSHDHGCTIWTOTE-LLUDDFSJSA-N 2 1 312.501 3.454 20 0 DGADMP Cc1cc([NH+]2CCCCC2)ccc1NCC[NH+]1CCSCC1 ZINC001167838421 1084161882 /nfs/dbraw/zinc/16/18/82/1084161882.db2.gz BHIDXRYRYPCFEE-UHFFFAOYSA-N 2 1 319.518 3.446 20 0 DGADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167839534 1084163541 /nfs/dbraw/zinc/16/35/41/1084163541.db2.gz ZIOBNDOYLPHFEW-IAGOWNOFSA-N 2 1 312.498 3.162 20 0 DGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184386955 1084168523 /nfs/dbraw/zinc/16/85/23/1084168523.db2.gz FIVDVUIMRVRJAV-PQEBFOHHSA-N 2 1 304.503 3.269 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(c4ccc(O)cc4)CC3)[C@@H]2C1 ZINC001184387078 1084168586 /nfs/dbraw/zinc/16/85/86/1084168586.db2.gz HCINNMIMPQASPR-JTHMUPOOSA-N 2 1 314.473 3.348 20 0 DGADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001167840630 1084173614 /nfs/dbraw/zinc/17/36/14/1084173614.db2.gz GSBIWQOADRMKEE-XHSDSOJGSA-N 2 1 300.487 3.016 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205306715 1084251059 /nfs/dbraw/zinc/25/10/59/1084251059.db2.gz ZNANPNRKRNRRBP-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205306715 1084251070 /nfs/dbraw/zinc/25/10/70/1084251070.db2.gz ZNANPNRKRNRRBP-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP COc1cc(NC(=[NH2+])SCC[NH3+])ccc1-c1ccccc1 ZINC001167912134 1084623854 /nfs/dbraw/zinc/62/38/54/1084623854.db2.gz KYTVXLVIKDYJHU-UHFFFAOYSA-N 2 1 301.415 3.401 20 0 DGADMP Brc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727953 1084861534 /nfs/dbraw/zinc/86/15/34/1084861534.db2.gz YCJUSOMYAGMQOG-UHFFFAOYSA-N 2 1 323.278 3.415 20 0 DGADMP C[C@@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)OCc1ccccc1 ZINC001204727647 1084861828 /nfs/dbraw/zinc/86/18/28/1084861828.db2.gz IBQVWQQERBAXGU-KRWDZBQOSA-N 2 1 302.462 3.057 20 0 DGADMP C[N@@H+](CCCC(C)(C)C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000711791109 1085541147 /nfs/dbraw/zinc/54/11/47/1085541147.db2.gz GAUYOCWALJIKAY-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP C[N@H+](CCCC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711791109 1085541153 /nfs/dbraw/zinc/54/11/53/1085541153.db2.gz GAUYOCWALJIKAY-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP C[N@@H+](CCCC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711791109 1085541167 /nfs/dbraw/zinc/54/11/67/1085541167.db2.gz GAUYOCWALJIKAY-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](CCCC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711791109 1085541181 /nfs/dbraw/zinc/54/11/81/1085541181.db2.gz GAUYOCWALJIKAY-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](CCCC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711791109 1085541193 /nfs/dbraw/zinc/54/11/93/1085541193.db2.gz GAUYOCWALJIKAY-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CCOC(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)OCC ZINC001167962020 1085732348 /nfs/dbraw/zinc/73/23/48/1085732348.db2.gz SDCNKANUSBYUEI-AYHJJNSGSA-N 2 1 324.509 3.161 20 0 DGADMP CC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167967125 1085888883 /nfs/dbraw/zinc/88/88/83/1085888883.db2.gz CPZRUCQAKJELPQ-IHWFROFDSA-N 2 1 312.457 3.384 20 0 DGADMP CC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167967125 1085888904 /nfs/dbraw/zinc/88/89/04/1085888904.db2.gz CPZRUCQAKJELPQ-IHWFROFDSA-N 2 1 312.457 3.384 20 0 DGADMP c1nc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ccc2o1 ZINC001167973085 1085915473 /nfs/dbraw/zinc/91/54/73/1085915473.db2.gz GCQAMYKGANJSKI-ALOPSCKCSA-N 2 1 311.429 3.323 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981815 1085932761 /nfs/dbraw/zinc/93/27/61/1085932761.db2.gz LLDITLACAJKXPS-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP CC1(C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC(C)(C)O1 ZINC001168003023 1086121043 /nfs/dbraw/zinc/12/10/43/1086121043.db2.gz IHJCOOVDDDVAMQ-SJPCQFCGSA-N 2 1 306.494 3.281 20 0 DGADMP CC1(C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC(C)(C)O1 ZINC001168003023 1086121038 /nfs/dbraw/zinc/12/10/38/1086121038.db2.gz IHJCOOVDDDVAMQ-SJPCQFCGSA-N 2 1 306.494 3.281 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CCO1 ZINC001204754997 1086158830 /nfs/dbraw/zinc/15/88/30/1086158830.db2.gz COFNQXGIKUHACU-IBGZPJMESA-N 2 1 302.462 3.284 20 0 DGADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009095 1086175924 /nfs/dbraw/zinc/17/59/24/1086175924.db2.gz YNZYMEGNGCOUTD-OPVJXMOQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCC[C@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039872 1086498916 /nfs/dbraw/zinc/49/89/16/1086498916.db2.gz ICFILFUMYVXOGF-HLIPFELVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039872 1086498920 /nfs/dbraw/zinc/49/89/20/1086498920.db2.gz ICFILFUMYVXOGF-HLIPFELVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2C[C@@H](O)CC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040033 1086500325 /nfs/dbraw/zinc/50/03/25/1086500325.db2.gz JXLLLBGMBZFPJX-VIPLHTEESA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@@H+]2C[C@@H](O)CC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040033 1086500331 /nfs/dbraw/zinc/50/03/31/1086500331.db2.gz JXLLLBGMBZFPJX-VIPLHTEESA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC(C3COC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040385 1086500946 /nfs/dbraw/zinc/50/09/46/1086500946.db2.gz MIFDAVRCKDYLOZ-CWPLJXCYSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC001168063146 1086647273 /nfs/dbraw/zinc/64/72/73/1086647273.db2.gz MEVSMEKLDBKWPH-OKZBNKHCSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168091852 1086831257 /nfs/dbraw/zinc/83/12/57/1086831257.db2.gz BXPIGMAKYSKSIU-OWYHZJEWSA-N 2 1 302.462 3.326 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168091850 1086831403 /nfs/dbraw/zinc/83/14/03/1086831403.db2.gz BXPIGMAKYSKSIU-DSLXNQLJSA-N 2 1 302.462 3.326 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168091854 1086831519 /nfs/dbraw/zinc/83/15/19/1086831519.db2.gz BXPIGMAKYSKSIU-WNHJNPCNSA-N 2 1 302.462 3.326 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093554 1086853511 /nfs/dbraw/zinc/85/35/11/1086853511.db2.gz NIUKPJOLBGRSCM-LEUOFYLZSA-N 2 1 320.452 3.465 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103667 1086887753 /nfs/dbraw/zinc/88/77/53/1086887753.db2.gz SIXJFDBBUHMDQJ-AXUOBQJMSA-N 2 1 320.452 3.465 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168166892 1087008384 /nfs/dbraw/zinc/00/83/84/1087008384.db2.gz NMXZNMPRCXHKLM-JQFCIGGWSA-N 2 1 322.880 3.242 20 0 DGADMP CC1CCC([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)CC1 ZINC001168211971 1087059334 /nfs/dbraw/zinc/05/93/34/1087059334.db2.gz LANCGHARGXTNBV-RDVQEIBISA-N 2 1 320.521 3.245 20 0 DGADMP CC1CCC([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)CC1 ZINC001168211971 1087059338 /nfs/dbraw/zinc/05/93/38/1087059338.db2.gz LANCGHARGXTNBV-RDVQEIBISA-N 2 1 320.521 3.245 20 0 DGADMP CC1CCC([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)CC1 ZINC001168211971 1087059342 /nfs/dbraw/zinc/05/93/42/1087059342.db2.gz LANCGHARGXTNBV-RDVQEIBISA-N 2 1 320.521 3.245 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC001168290126 1087283545 /nfs/dbraw/zinc/28/35/45/1087283545.db2.gz ZFHGVYZZSMHAAY-GOSISDBHSA-N 2 1 314.473 3.113 20 0 DGADMP C[NH+](C)C1CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001168329228 1087296458 /nfs/dbraw/zinc/29/64/58/1087296458.db2.gz QVXRLAIQSFWMIG-UHFFFAOYSA-N 2 1 312.461 3.218 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OCC)cc1 ZINC001142604398 1087377492 /nfs/dbraw/zinc/37/74/92/1087377492.db2.gz ZZJZHUJJVDCVMJ-UHFFFAOYSA-N 2 1 306.450 3.027 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OCC)cc1 ZINC001142604398 1087377495 /nfs/dbraw/zinc/37/74/95/1087377495.db2.gz ZZJZHUJJVDCVMJ-UHFFFAOYSA-N 2 1 306.450 3.027 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168366302 1087400405 /nfs/dbraw/zinc/40/04/05/1087400405.db2.gz OAYZPTKALMODIM-UHFFFAOYSA-N 2 1 307.526 3.103 20 0 DGADMP COc1cncc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC001168370588 1087441067 /nfs/dbraw/zinc/44/10/67/1087441067.db2.gz BNGJLRIMSCGXPE-IBGZPJMESA-N 2 1 315.461 3.005 20 0 DGADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC001307422733 1087445517 /nfs/dbraw/zinc/44/55/17/1087445517.db2.gz XTTOJJFYOSGXCS-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC001307422733 1087445520 /nfs/dbraw/zinc/44/55/20/1087445520.db2.gz XTTOJJFYOSGXCS-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC001212145611 1087539952 /nfs/dbraw/zinc/53/99/52/1087539952.db2.gz YTWWRJNDJXOXQY-AWEZNQCLSA-N 2 1 324.375 3.183 20 0 DGADMP COc1cccc(CC[N@@H+](C)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168390965 1087549451 /nfs/dbraw/zinc/54/94/51/1087549451.db2.gz JNRAPJJTIONYLD-UHFFFAOYSA-N 2 1 302.462 3.044 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168406492 1087567773 /nfs/dbraw/zinc/56/77/73/1087567773.db2.gz GDDPEMWHWPMZKC-AKHDSKFASA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168406492 1087567775 /nfs/dbraw/zinc/56/77/75/1087567775.db2.gz GDDPEMWHWPMZKC-AKHDSKFASA-N 2 1 302.437 3.288 20 0 DGADMP CCOC(=O)CC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001168414050 1087587199 /nfs/dbraw/zinc/58/71/99/1087587199.db2.gz NEWQMFUHQAOQRS-UHFFFAOYSA-N 2 1 312.498 3.020 20 0 DGADMP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445840 1087761155 /nfs/dbraw/zinc/76/11/55/1087761155.db2.gz MNOOUJPQTRIRGX-IBGZPJMESA-N 2 1 302.437 3.242 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445840 1087761166 /nfs/dbraw/zinc/76/11/66/1087761166.db2.gz MNOOUJPQTRIRGX-IBGZPJMESA-N 2 1 302.437 3.242 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](CCCc2ccccc2Br)CC1 ZINC001205094791 1087787565 /nfs/dbraw/zinc/78/75/65/1087787565.db2.gz POKBEFAUZYKWDX-AWEZNQCLSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001205094791 1087787578 /nfs/dbraw/zinc/78/75/78/1087787578.db2.gz POKBEFAUZYKWDX-AWEZNQCLSA-N 2 1 311.267 3.195 20 0 DGADMP COc1ccc2c(C)cc(NCC34CC[NH+](CC3)CC4)[nH+]c2c1 ZINC001158826894 1088054040 /nfs/dbraw/zinc/05/40/40/1088054040.db2.gz KQBLZESEGJTTLR-UHFFFAOYSA-N 2 1 311.429 3.450 20 0 DGADMP Cc1[nH+]c2c(Nc3ccc(N4CC[NH2+]CC4)cc3)cccn2c1C ZINC001159396165 1088331820 /nfs/dbraw/zinc/33/18/20/1088331820.db2.gz JGPFWYFLOJEYPX-UHFFFAOYSA-N 2 1 321.428 3.104 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153728941 1088339801 /nfs/dbraw/zinc/33/98/01/1088339801.db2.gz VOMZYPJCIOINTG-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153728941 1088339815 /nfs/dbraw/zinc/33/98/15/1088339815.db2.gz VOMZYPJCIOINTG-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153728941 1088339831 /nfs/dbraw/zinc/33/98/31/1088339831.db2.gz VOMZYPJCIOINTG-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP Nc1ccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)[nH+]c1 ZINC001159561127 1088395098 /nfs/dbraw/zinc/39/50/98/1088395098.db2.gz NWSLIYDHBMESDO-SOTJZCEJSA-N 2 1 322.456 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC=C(Nc3cccc4c3C[NH2+]C4)C2)cc1 ZINC001159763828 1088474340 /nfs/dbraw/zinc/47/43/40/1088474340.db2.gz IGJAXNHESLAOMZ-UHFFFAOYSA-N 2 1 305.425 3.492 20 0 DGADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001235970952 1088497321 /nfs/dbraw/zinc/49/73/21/1088497321.db2.gz XLZDZPSAGQQBFZ-UHFFFAOYSA-N 2 1 317.260 3.446 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580317 1088660159 /nfs/dbraw/zinc/66/01/59/1088660159.db2.gz TWCXQYQUYDQMQW-XZVRFQMRSA-N 2 1 323.525 3.044 20 0 DGADMP Fc1cccc(Nc2cc[nH+]c3ccccc23)c1O[C@@H]1CC[NH2+]C1 ZINC001160181449 1088688704 /nfs/dbraw/zinc/68/87/04/1088688704.db2.gz WRHHIRQJMCQPIZ-CYBMUJFWSA-N 2 1 323.371 3.280 20 0 DGADMP COc1ccc2[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)cc(C)c2c1 ZINC001155118564 1088958584 /nfs/dbraw/zinc/95/85/84/1088958584.db2.gz XZKHWTBLVCJYRU-GOSISDBHSA-N 2 1 317.408 3.446 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC001206674779 1089191845 /nfs/dbraw/zinc/19/18/45/1089191845.db2.gz XDEDNDGHUZWBNS-MSOLQXFVSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC001206674779 1089191850 /nfs/dbraw/zinc/19/18/50/1089191850.db2.gz XDEDNDGHUZWBNS-MSOLQXFVSA-N 2 1 316.489 3.387 20 0 DGADMP CC(F)(F)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001162233968 1089622631 /nfs/dbraw/zinc/62/26/31/1089622631.db2.gz KQRVDVUIAPNPFJ-ZDUSSCGKSA-N 2 1 308.376 3.418 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(N2CCCC2)cc[nH+]1 ZINC001156928819 1089750770 /nfs/dbraw/zinc/75/07/70/1089750770.db2.gz ONLIQSVTEDCGPO-INIZCTEOSA-N 2 1 302.466 3.358 20 0 DGADMP Cc1cc2[nH]ccc2c(N(C)CC[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC001157553818 1090024660 /nfs/dbraw/zinc/02/46/60/1090024660.db2.gz HOCNFXNLDYOWGT-UHFFFAOYSA-N 2 1 308.429 3.440 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1 ZINC001162984166 1090045894 /nfs/dbraw/zinc/04/58/94/1090045894.db2.gz UIGBBBRARTUCCP-HHXXYDBFSA-N 2 1 314.477 3.153 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163064408 1090068277 /nfs/dbraw/zinc/06/82/77/1090068277.db2.gz XMTCKYHZJXHIFR-OAHLLOKOSA-N 2 1 312.461 3.402 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC2(CC)C[NH2+]C2)nc1 ZINC001157787492 1090110626 /nfs/dbraw/zinc/11/06/26/1090110626.db2.gz KCAMLKKOWSRNRH-INIZCTEOSA-N 2 1 302.466 3.183 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(N[C@@H]3C[NH2+]Cc4ccsc43)cc2)C1 ZINC001163236659 1090129543 /nfs/dbraw/zinc/12/95/43/1090129543.db2.gz GNNAKKDILKBNFV-NVXWUHKLSA-N 2 1 313.470 3.424 20 0 DGADMP Cc1c[nH+]c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001163270193 1090136029 /nfs/dbraw/zinc/13/60/29/1090136029.db2.gz NEIYIFKECOOWLS-DNVCBOLYSA-N 2 1 311.429 3.114 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C)C3CC3)cn2)[C@@H](C)C1 ZINC001163368707 1090166917 /nfs/dbraw/zinc/16/69/17/1090166917.db2.gz BCVGHPSRTJEKCO-MAUKXSAKSA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@@H](Nc2ccc(C[N@H+](C)C3CC3)cn2)[C@@H](C)C1 ZINC001163368707 1090166925 /nfs/dbraw/zinc/16/69/25/1090166925.db2.gz BCVGHPSRTJEKCO-MAUKXSAKSA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@@H](Nc2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H](C)C1 ZINC001163368707 1090166928 /nfs/dbraw/zinc/16/69/28/1090166928.db2.gz BCVGHPSRTJEKCO-MAUKXSAKSA-N 2 1 316.493 3.207 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[NH+](CC)CC2)nc1 ZINC001163772848 1090255384 /nfs/dbraw/zinc/25/53/84/1090255384.db2.gz QJJFLVGAOPORKL-GOSISDBHSA-N 2 1 316.493 3.161 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[N@H+](CC)CC2)nc1 ZINC001163772848 1090255390 /nfs/dbraw/zinc/25/53/90/1090255390.db2.gz QJJFLVGAOPORKL-GOSISDBHSA-N 2 1 316.493 3.161 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[N@@H+](CC)CC2)nc1 ZINC001163772848 1090255393 /nfs/dbraw/zinc/25/53/93/1090255393.db2.gz QJJFLVGAOPORKL-GOSISDBHSA-N 2 1 316.493 3.161 20 0 DGADMP CSc1ncc(C)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001238718342 1090394784 /nfs/dbraw/zinc/39/47/84/1090394784.db2.gz LFVCTYZFBCLGBE-UHFFFAOYSA-N 2 1 305.491 3.030 20 0 DGADMP [NH3+]Cc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001164491457 1090432338 /nfs/dbraw/zinc/43/23/38/1090432338.db2.gz DSRFNLPSKVALMS-HMXCVIKNSA-N 2 1 321.468 3.468 20 0 DGADMP COc1cc[nH+]c(N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001165149639 1090472048 /nfs/dbraw/zinc/47/20/48/1090472048.db2.gz RMRNQIHURXNKBY-UHFFFAOYSA-N 2 1 323.440 3.117 20 0 DGADMP C[N@H+]1CCC[C@@H](CCNc2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001165261450 1090492140 /nfs/dbraw/zinc/49/21/40/1090492140.db2.gz QTFWVWHFGDKAMK-INIZCTEOSA-N 2 1 302.466 3.216 20 0 DGADMP Cc1c[nH+]c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(C)c1 ZINC001165305111 1090499833 /nfs/dbraw/zinc/49/98/33/1090499833.db2.gz VHUHCNVRYLTFNI-ZDUSSCGKSA-N 2 1 313.367 3.352 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729940 1090610913 /nfs/dbraw/zinc/61/09/13/1090610913.db2.gz YOZNKLBAJKFINE-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP COc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203433916 1090734248 /nfs/dbraw/zinc/73/42/48/1090734248.db2.gz CZSDAOIJZIJCQW-PMACEKPBSA-N 2 1 322.452 3.259 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185625 1090782027 /nfs/dbraw/zinc/78/20/27/1090782027.db2.gz CBAJPIBPHVRZJD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001203858351 1090820270 /nfs/dbraw/zinc/82/02/70/1090820270.db2.gz JZBPSMZOBNOUAD-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001203858351 1090820274 /nfs/dbraw/zinc/82/02/74/1090820274.db2.gz JZBPSMZOBNOUAD-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001203974059 1090855851 /nfs/dbraw/zinc/85/58/51/1090855851.db2.gz SHKKHXJGEFWNEY-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001203974059 1090855855 /nfs/dbraw/zinc/85/58/55/1090855855.db2.gz SHKKHXJGEFWNEY-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1 ZINC001203974059 1090855859 /nfs/dbraw/zinc/85/58/59/1090855859.db2.gz SHKKHXJGEFWNEY-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)cc1 ZINC001203974059 1090855862 /nfs/dbraw/zinc/85/58/62/1090855862.db2.gz SHKKHXJGEFWNEY-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc3ccccc31)CC2 ZINC001203984724 1090858571 /nfs/dbraw/zinc/85/85/71/1090858571.db2.gz UXRSJIRQBNZQMX-UHFFFAOYSA-N 2 1 323.440 3.470 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c4ccccc34)C[C@@H]2C1 ZINC001203995465 1090862953 /nfs/dbraw/zinc/86/29/53/1090862953.db2.gz HMXSGMOZBZIPKN-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)c4ccccc34)C[C@@H]2C1 ZINC001203995465 1090862958 /nfs/dbraw/zinc/86/29/58/1090862958.db2.gz HMXSGMOZBZIPKN-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)c4ccccc34)C[C@@H]2C1 ZINC001203995465 1090862965 /nfs/dbraw/zinc/86/29/65/1090862965.db2.gz HMXSGMOZBZIPKN-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204013061 1090868834 /nfs/dbraw/zinc/86/88/34/1090868834.db2.gz FLQOBAZPBOYAOQ-MOPGFXCFSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204013061 1090868842 /nfs/dbraw/zinc/86/88/42/1090868842.db2.gz FLQOBAZPBOYAOQ-MOPGFXCFSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204013061 1090868850 /nfs/dbraw/zinc/86/88/50/1090868850.db2.gz FLQOBAZPBOYAOQ-MOPGFXCFSA-N 2 1 309.457 3.359 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccc1O ZINC001204118574 1090905026 /nfs/dbraw/zinc/90/50/26/1090905026.db2.gz RADHEXGWSVEPTI-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccc1O ZINC001204118574 1090905031 /nfs/dbraw/zinc/90/50/31/1090905031.db2.gz RADHEXGWSVEPTI-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)ccc1O ZINC001204118574 1090905033 /nfs/dbraw/zinc/90/50/33/1090905033.db2.gz RADHEXGWSVEPTI-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)ccc1O ZINC001204118574 1090905036 /nfs/dbraw/zinc/90/50/36/1090905036.db2.gz RADHEXGWSVEPTI-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP CC1(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CCOCC1 ZINC001276448260 1090922851 /nfs/dbraw/zinc/92/28/51/1090922851.db2.gz KBCDNHPLPRVIDQ-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP CC1(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CCOCC1 ZINC001276448260 1090922852 /nfs/dbraw/zinc/92/28/52/1090922852.db2.gz KBCDNHPLPRVIDQ-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204269786 1090937414 /nfs/dbraw/zinc/93/74/14/1090937414.db2.gz JWJCXKJGBUPKQI-IBGZPJMESA-N 2 1 320.477 3.016 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCc3c(F)cccc3F)CC2)C1 ZINC001276456031 1090950132 /nfs/dbraw/zinc/95/01/32/1090950132.db2.gz SWWADSLWTQDSKC-UHFFFAOYSA-N 2 1 308.416 3.315 20 0 DGADMP COc1[nH+]ccc(N)c1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204683787 1091016630 /nfs/dbraw/zinc/01/66/30/1091016630.db2.gz KBXFYPKGMIRAJQ-UHFFFAOYSA-N 2 1 300.406 3.304 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204734803 1091025093 /nfs/dbraw/zinc/02/50/93/1091025093.db2.gz FQFKBICFLRCHLA-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP CCOc1cc(C)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204749039 1091029498 /nfs/dbraw/zinc/02/94/98/1091029498.db2.gz WLOCHLVJANLFNS-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(/C=C/c3ccccc3)cc2)CCO1 ZINC001204755298 1091030982 /nfs/dbraw/zinc/03/09/82/1091030982.db2.gz FUIRXXSJKYRUBZ-IRUYWQDXSA-N 2 1 322.452 3.407 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(/C=C/c3ccccc3)cc2)CCO1 ZINC001204755298 1091030990 /nfs/dbraw/zinc/03/09/90/1091030990.db2.gz FUIRXXSJKYRUBZ-IRUYWQDXSA-N 2 1 322.452 3.407 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCO1 ZINC001204755818 1091031339 /nfs/dbraw/zinc/03/13/39/1091031339.db2.gz IYHOVYLWMPDFSW-OAHLLOKOSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCO1 ZINC001204755818 1091031346 /nfs/dbraw/zinc/03/13/46/1091031346.db2.gz IYHOVYLWMPDFSW-OAHLLOKOSA-N 2 1 320.820 3.150 20 0 DGADMP CC[N@@H+](CC1(F)CC[NH2+]CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC001204869794 1091051868 /nfs/dbraw/zinc/05/18/68/1091051868.db2.gz JLHWHXPCEBCVAS-OAHLLOKOSA-N 2 1 308.441 3.040 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001205094812 1091101055 /nfs/dbraw/zinc/10/10/55/1091101055.db2.gz QDARMSODFXCKHB-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([NH3+])CC3)s2)cc1 ZINC001205101567 1091102782 /nfs/dbraw/zinc/10/27/82/1091102782.db2.gz IIIWDRSWBBNPEA-CQSZACIVSA-N 2 1 317.458 3.132 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001205101908 1091102792 /nfs/dbraw/zinc/10/27/92/1091102792.db2.gz NPGQVXJVBNPTDL-GFCCVEGCSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001205101908 1091102796 /nfs/dbraw/zinc/10/27/96/1091102796.db2.gz NPGQVXJVBNPTDL-GFCCVEGCSA-N 2 1 322.250 3.244 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205131432 1091109027 /nfs/dbraw/zinc/10/90/27/1091109027.db2.gz ZMJDXMWGFWUPQK-GXTWGEPZSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC001205151705 1091113945 /nfs/dbraw/zinc/11/39/45/1091113945.db2.gz ZHZHCRBOPUDJQP-WCQYABFASA-N 2 1 305.809 3.022 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C[C@H]1C[NH3+] ZINC001205156191 1091114504 /nfs/dbraw/zinc/11/45/04/1091114504.db2.gz QVAPIFXXJWDPQU-XJKSGUPXSA-N 2 1 315.848 3.429 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)Cc2ccccc21 ZINC001205164654 1091116394 /nfs/dbraw/zinc/11/63/94/1091116394.db2.gz KZPDJLGAXICZHE-KRWDZBQOSA-N 2 1 321.468 3.216 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001205219723 1091135493 /nfs/dbraw/zinc/13/54/93/1091135493.db2.gz GKKIQBBZDGJHHR-INIZCTEOSA-N 2 1 322.499 3.152 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2sc(Cl)c3ccccc32)CC1 ZINC001205255152 1091151724 /nfs/dbraw/zinc/15/17/24/1091151724.db2.gz HLKYHALEHMFLTN-MRXNPFEDSA-N 2 1 324.877 3.230 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1OC(C)C ZINC001205264307 1091154450 /nfs/dbraw/zinc/15/44/50/1091154450.db2.gz JQUSVXYUOIGETD-GOSISDBHSA-N 2 1 306.450 3.186 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(OCC)c1 ZINC001205274401 1091161267 /nfs/dbraw/zinc/16/12/67/1091161267.db2.gz XCDMYCIIFXCZHE-SFHVURJKSA-N 2 1 306.450 3.187 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OCC)c1 ZINC001205274401 1091161271 /nfs/dbraw/zinc/16/12/71/1091161271.db2.gz XCDMYCIIFXCZHE-SFHVURJKSA-N 2 1 306.450 3.187 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281803 1091164282 /nfs/dbraw/zinc/16/42/82/1091164282.db2.gz YJNMAFRIVXJFRZ-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281803 1091164287 /nfs/dbraw/zinc/16/42/87/1091164287.db2.gz YJNMAFRIVXJFRZ-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281340 1091164485 /nfs/dbraw/zinc/16/44/85/1091164485.db2.gz STHLJYLBBLYAPH-SFHVURJKSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281340 1091164486 /nfs/dbraw/zinc/16/44/86/1091164486.db2.gz STHLJYLBBLYAPH-SFHVURJKSA-N 2 1 306.450 3.186 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cccn2-c2ccccc2F)C[C@H]1C[NH3+] ZINC001205303798 1091174777 /nfs/dbraw/zinc/17/47/77/1091174777.db2.gz KJDYCSJSQNVTOB-HUUCEWRRSA-N 2 1 301.409 3.033 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)C[C@H]1C[NH3+] ZINC001205303798 1091174785 /nfs/dbraw/zinc/17/47/85/1091174785.db2.gz KJDYCSJSQNVTOB-HUUCEWRRSA-N 2 1 301.409 3.033 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205303669 1091175319 /nfs/dbraw/zinc/17/53/19/1091175319.db2.gz JHTJCRDSURANLI-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205303669 1091175320 /nfs/dbraw/zinc/17/53/20/1091175320.db2.gz JHTJCRDSURANLI-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC001205304295 1091175330 /nfs/dbraw/zinc/17/53/30/1091175330.db2.gz NOKBYFBATVAYIH-YOEHRIQHSA-N 2 1 318.461 3.059 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C[C@@H]1C[NH3+] ZINC001205304321 1091175501 /nfs/dbraw/zinc/17/55/01/1091175501.db2.gz NTDOKTNVUGGANW-KGLIPLIRSA-N 2 1 301.459 3.227 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205304645 1091175646 /nfs/dbraw/zinc/17/56/46/1091175646.db2.gz OPMUWNORZHYIED-YPMHNXCESA-N 2 1 316.367 3.131 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC001205305147 1091176454 /nfs/dbraw/zinc/17/64/54/1091176454.db2.gz RGVFZQJCULVFRT-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC001205305147 1091176461 /nfs/dbraw/zinc/17/64/61/1091176461.db2.gz RGVFZQJCULVFRT-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2c1 ZINC001205315400 1091180823 /nfs/dbraw/zinc/18/08/23/1091180823.db2.gz FXXLECPTHFWYNU-OCCSQVGLSA-N 2 1 304.459 3.327 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2c1 ZINC001205315399 1091181010 /nfs/dbraw/zinc/18/10/10/1091181010.db2.gz FXXLECPTHFWYNU-JSGCOSHPSA-N 2 1 304.459 3.327 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205318111 1091181576 /nfs/dbraw/zinc/18/15/76/1091181576.db2.gz RURBWEJFRIRRKH-APWZRJJASA-N 2 1 309.457 3.474 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205319026 1091184316 /nfs/dbraw/zinc/18/43/16/1091184316.db2.gz XTJCDHJPSDWJFJ-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205319026 1091184317 /nfs/dbraw/zinc/18/43/17/1091184317.db2.gz XTJCDHJPSDWJFJ-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CC1CC[NH+](C)CC1)[C@@H]2C ZINC001205353048 1091197052 /nfs/dbraw/zinc/19/70/52/1091197052.db2.gz AZBDSSLVJGFZRJ-HUUCEWRRSA-N 2 1 302.462 3.345 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001205545543 1091248169 /nfs/dbraw/zinc/24/81/69/1091248169.db2.gz JBXTUYSHXIARDW-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205559529 1091253518 /nfs/dbraw/zinc/25/35/18/1091253518.db2.gz RRMLXOGWOGIYJS-HNNXBMFYSA-N 2 1 302.796 3.440 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205560057 1091255121 /nfs/dbraw/zinc/25/51/21/1091255121.db2.gz YPOSWSPKAGLKCM-QGZVFWFLSA-N 2 1 307.388 3.268 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001205559988 1091255498 /nfs/dbraw/zinc/25/54/98/1091255498.db2.gz XRCFAZPYCBGMEQ-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001205582818 1091267033 /nfs/dbraw/zinc/26/70/33/1091267033.db2.gz ZISXFNQEQYEALT-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001205582818 1091267045 /nfs/dbraw/zinc/26/70/45/1091267045.db2.gz ZISXFNQEQYEALT-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592363 1091269549 /nfs/dbraw/zinc/26/95/49/1091269549.db2.gz UNUWAOIJTMIKSJ-OAHLLOKOSA-N 2 1 302.796 3.440 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c2ccccc21 ZINC001205601940 1091274074 /nfs/dbraw/zinc/27/40/74/1091274074.db2.gz GVFXKXXMPPYGAZ-HOCLYGCPSA-N 2 1 313.445 3.108 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205602542 1091274482 /nfs/dbraw/zinc/27/44/82/1091274482.db2.gz JKVHJHOVISSTFR-CHWSQXEVSA-N 2 1 316.367 3.392 20 0 DGADMP c1cc2c(cc[nH+]c2-c2ccc(CC[NH+]3CCOCC3)cc2)[nH]1 ZINC001205607514 1091277514 /nfs/dbraw/zinc/27/75/14/1091277514.db2.gz VYCPQCNVNRBXQD-UHFFFAOYSA-N 2 1 307.397 3.105 20 0 DGADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205617644 1091280472 /nfs/dbraw/zinc/28/04/72/1091280472.db2.gz LYEFDUBTROHRDP-HOCLYGCPSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)CC[C@H]1C[NH3+] ZINC001205617663 1091280925 /nfs/dbraw/zinc/28/09/25/1091280925.db2.gz MBSQSCCWGIIOEX-HOTGVXAUSA-N 2 1 315.436 3.423 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)CC[C@@H]1C[NH3+] ZINC001205617664 1091281656 /nfs/dbraw/zinc/28/16/56/1091281656.db2.gz MBSQSCCWGIIOEX-HZPDHXFCSA-N 2 1 315.436 3.423 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)cc2c1 ZINC001205618094 1091284651 /nfs/dbraw/zinc/28/46/51/1091284651.db2.gz RISLRSKVRKPPQU-KBPBESRZSA-N 2 1 302.418 3.248 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC[C@H]1C[NH3+] ZINC001205627844 1091286034 /nfs/dbraw/zinc/28/60/34/1091286034.db2.gz SIBGWLCLRNFXTM-ZFWWWQNUSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205628226 1091287675 /nfs/dbraw/zinc/28/76/75/1091287675.db2.gz UBSPHLWWECCXHT-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205628537 1091288464 /nfs/dbraw/zinc/28/84/64/1091288464.db2.gz VVHKGYCJCLDQQX-WCQYABFASA-N 2 1 315.383 3.216 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205638771 1091292239 /nfs/dbraw/zinc/29/22/39/1091292239.db2.gz RVGDJAMXQJRGOM-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205638594 1091293032 /nfs/dbraw/zinc/29/30/32/1091293032.db2.gz POZPZQNGOVVGMU-QAPCUYQASA-N 2 1 324.472 3.259 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC(C)C)c1 ZINC001205639524 1091293221 /nfs/dbraw/zinc/29/32/21/1091293221.db2.gz ZTKHVCKEEFZDGG-HOTGVXAUSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(N3CCCC3)c2)CC[C@H]1C[NH3+] ZINC001205638436 1091293294 /nfs/dbraw/zinc/29/32/94/1091293294.db2.gz NVXMGBQTWRICME-AEFFLSMTSA-N 2 1 301.478 3.094 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1 ZINC001205652446 1091297880 /nfs/dbraw/zinc/29/78/80/1091297880.db2.gz PQFCUJOYWYAUSV-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652223 1091298852 /nfs/dbraw/zinc/29/88/52/1091298852.db2.gz ONDCSCCOZVCBHO-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2[nH]ccc2c1 ZINC001138738374 1091309039 /nfs/dbraw/zinc/30/90/39/1091309039.db2.gz TUQCNLNAQUEKKH-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738374 1091309050 /nfs/dbraw/zinc/30/90/50/1091309050.db2.gz TUQCNLNAQUEKKH-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738374 1091309056 /nfs/dbraw/zinc/30/90/56/1091309056.db2.gz TUQCNLNAQUEKKH-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001205735288 1091325066 /nfs/dbraw/zinc/32/50/66/1091325066.db2.gz MMODSZWLZHZBPF-INIZCTEOSA-N 2 1 324.877 3.230 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001205735288 1091325070 /nfs/dbraw/zinc/32/50/70/1091325070.db2.gz MMODSZWLZHZBPF-INIZCTEOSA-N 2 1 324.877 3.230 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ncccc4C)C[C@@H]3C2)cc1 ZINC001205779087 1091343715 /nfs/dbraw/zinc/34/37/15/1091343715.db2.gz HOMVKCFZQIBYLJ-PMACEKPBSA-N 2 1 321.468 3.262 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc3occc3c1)CC2 ZINC001138822451 1091343977 /nfs/dbraw/zinc/34/39/77/1091343977.db2.gz CFFJUFRWTQTEEJ-UHFFFAOYSA-N 2 1 313.401 3.063 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2ccccc2n1 ZINC001138865402 1091360214 /nfs/dbraw/zinc/36/02/14/1091360214.db2.gz IXVQJRDHXHWBAD-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2ccccc2n1 ZINC001138865402 1091360223 /nfs/dbraw/zinc/36/02/23/1091360223.db2.gz IXVQJRDHXHWBAD-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC001138865402 1091360233 /nfs/dbraw/zinc/36/02/33/1091360233.db2.gz IXVQJRDHXHWBAD-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC001138865402 1091360246 /nfs/dbraw/zinc/36/02/46/1091360246.db2.gz IXVQJRDHXHWBAD-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830806 1091372391 /nfs/dbraw/zinc/37/23/91/1091372391.db2.gz VHVPNWWFAOVYDD-QRWLVFNGSA-N 2 1 311.473 3.465 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830806 1091372400 /nfs/dbraw/zinc/37/24/00/1091372400.db2.gz VHVPNWWFAOVYDD-QRWLVFNGSA-N 2 1 311.473 3.465 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC001205863244 1091383323 /nfs/dbraw/zinc/38/33/23/1091383323.db2.gz MQUKFEZSBRMQCA-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC001205863244 1091383332 /nfs/dbraw/zinc/38/33/32/1091383332.db2.gz MQUKFEZSBRMQCA-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001138954876 1091389338 /nfs/dbraw/zinc/38/93/38/1091389338.db2.gz BSMOOYRAYCATFT-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001138954876 1091389346 /nfs/dbraw/zinc/38/93/46/1091389346.db2.gz BSMOOYRAYCATFT-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001138954876 1091389353 /nfs/dbraw/zinc/38/93/53/1091389353.db2.gz BSMOOYRAYCATFT-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001138954876 1091389364 /nfs/dbraw/zinc/38/93/64/1091389364.db2.gz BSMOOYRAYCATFT-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CC(C)N(CCC[NH3+])c1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001164126709 1091395310 /nfs/dbraw/zinc/39/53/10/1091395310.db2.gz GNZDEHFNCBTSOW-UHFFFAOYSA-N 2 1 301.356 3.239 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2nccs2)c1 ZINC001205902476 1091400509 /nfs/dbraw/zinc/40/05/09/1091400509.db2.gz JXHKSSLRGFPAOE-CZUORRHYSA-N 2 1 301.459 3.369 20 0 DGADMP CC[N@H+]1CCc2cc(-c3cccc(N4CC[NH2+]CC4)c3)ccc2C1 ZINC001205907823 1091403127 /nfs/dbraw/zinc/40/31/27/1091403127.db2.gz GDMFLGAVJQHXDX-UHFFFAOYSA-N 2 1 321.468 3.141 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205914759 1091410068 /nfs/dbraw/zinc/41/00/68/1091410068.db2.gz NFLSTHWSLOQCOY-SWLSCSKDSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923942 1091416026 /nfs/dbraw/zinc/41/60/26/1091416026.db2.gz QRLLJJNNNMYARJ-STQMWFEESA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923942 1091416029 /nfs/dbraw/zinc/41/60/29/1091416029.db2.gz QRLLJJNNNMYARJ-STQMWFEESA-N 2 1 303.837 3.447 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)s3)C[C@@H]2C1 ZINC001139021892 1091421269 /nfs/dbraw/zinc/42/12/69/1091421269.db2.gz ACXHSOIIQVPRBI-BETUJISGSA-N 2 1 304.484 3.470 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)s3)C[C@@H]2C1 ZINC001139021892 1091421273 /nfs/dbraw/zinc/42/12/73/1091421273.db2.gz ACXHSOIIQVPRBI-BETUJISGSA-N 2 1 304.484 3.470 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)s3)C[C@@H]2C1 ZINC001139021892 1091421277 /nfs/dbraw/zinc/42/12/77/1091421277.db2.gz ACXHSOIIQVPRBI-BETUJISGSA-N 2 1 304.484 3.470 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccs4)s3)C[C@@H]2C1 ZINC001139021892 1091421281 /nfs/dbraw/zinc/42/12/81/1091421281.db2.gz ACXHSOIIQVPRBI-BETUJISGSA-N 2 1 304.484 3.470 20 0 DGADMP C[N@@H+](Cc1c(F)cc(Cl)cc1F)CC1CC[NH+](C)CC1 ZINC001139051383 1091429989 /nfs/dbraw/zinc/42/99/89/1091429989.db2.gz MILQPBOBHXMCHP-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[N@H+](Cc1c(F)cc(Cl)cc1F)CC1CC[NH+](C)CC1 ZINC001139051383 1091429993 /nfs/dbraw/zinc/42/99/93/1091429993.db2.gz MILQPBOBHXMCHP-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139063885 1091434003 /nfs/dbraw/zinc/43/40/03/1091434003.db2.gz CBFIFUJUEQOEKL-UHFFFAOYSA-N 2 1 307.397 3.458 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205992937 1091439130 /nfs/dbraw/zinc/43/91/30/1091439130.db2.gz GHFVOGWXOJOXPN-TZMCWYRMSA-N 2 1 311.267 3.256 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)cc1Cl ZINC001205993034 1091439345 /nfs/dbraw/zinc/43/93/45/1091439345.db2.gz GUYUDBRBHURCGM-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)cc1Cl ZINC001205993039 1091439642 /nfs/dbraw/zinc/43/96/42/1091439642.db2.gz GUYUDBRBHURCGM-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205992940 1091439826 /nfs/dbraw/zinc/43/98/26/1091439826.db2.gz GJIBWSICJSXAQK-DZGCQCFKSA-N 2 1 312.404 3.137 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205996166 1091441453 /nfs/dbraw/zinc/44/14/53/1091441453.db2.gz VPJZUMCOAQKXHN-TZMCWYRMSA-N 2 1 316.367 3.392 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205994437 1091441905 /nfs/dbraw/zinc/44/19/05/1091441905.db2.gz LRANGQBPOUQOOC-GDBMZVCRSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205997085 1091442208 /nfs/dbraw/zinc/44/22/08/1091442208.db2.gz ZRCVWIIUTLPARB-QWHCGFSZSA-N 2 1 316.367 3.392 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OCC)c1 ZINC001206003163 1091444383 /nfs/dbraw/zinc/44/43/83/1091444383.db2.gz FQOVNUYERYYIQE-CVEARBPZSA-N 2 1 320.477 3.291 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206004690 1091445490 /nfs/dbraw/zinc/44/54/90/1091445490.db2.gz UMJYLWSSGGYXMP-GJZGRUSLSA-N 2 1 315.461 3.373 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001206013522 1091449549 /nfs/dbraw/zinc/44/95/49/1091449549.db2.gz RUFLMROUVDAEPS-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012288 1091449599 /nfs/dbraw/zinc/44/95/99/1091449599.db2.gz JWHQEQZIAHDZHQ-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206027704 1091456907 /nfs/dbraw/zinc/45/69/07/1091456907.db2.gz WRBIOOIOTSBALJ-CMPLNLGQSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccnc3c(F)cccc23)CCC[C@@H]1C[NH3+] ZINC001206014508 1091451809 /nfs/dbraw/zinc/45/18/09/1091451809.db2.gz XBUFRMIJVIHVFV-ZIAGYGMSSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccn2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206014005 1091452099 /nfs/dbraw/zinc/45/20/99/1091452099.db2.gz UZIZMMXNFZBDHQ-HKUYNNGSSA-N 2 1 311.473 3.343 20 0 DGADMP C[C@H]1C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CCC[C@@H]1C[NH3+] ZINC001206024354 1091454661 /nfs/dbraw/zinc/45/46/61/1091454661.db2.gz ISRFWNZJZBODHD-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001206035521 1091461386 /nfs/dbraw/zinc/46/13/86/1091461386.db2.gz CGABNKHIEZIGON-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP F[C@@H]1CCCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001206080930 1091483622 /nfs/dbraw/zinc/48/36/22/1091483622.db2.gz JBPYLWFTYVTSKP-MRXNPFEDSA-N 2 1 301.409 3.069 20 0 DGADMP N[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@@H]1F ZINC001206153168 1091512201 /nfs/dbraw/zinc/51/22/01/1091512201.db2.gz CCVIJWRHHCOYFP-ZWKOTPCHSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCCCOCc2ccccc2)CC[C@@H]1F ZINC001206153168 1091512206 /nfs/dbraw/zinc/51/22/06/1091512206.db2.gz CCVIJWRHHCOYFP-ZWKOTPCHSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@@H]1F ZINC001206153168 1091512215 /nfs/dbraw/zinc/51/22/15/1091512215.db2.gz CCVIJWRHHCOYFP-ZWKOTPCHSA-N 2 1 308.441 3.135 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2c1 ZINC001206197697 1091530669 /nfs/dbraw/zinc/53/06/69/1091530669.db2.gz JADSYWWXJZZODF-HUUCEWRRSA-N 2 1 308.422 3.171 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CC[C@H]1F ZINC001206195950 1091531082 /nfs/dbraw/zinc/53/10/82/1091531082.db2.gz AEONHNWTKKWAJP-QZTJIDSGSA-N 2 1 315.392 3.135 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206198011 1091533224 /nfs/dbraw/zinc/53/32/24/1091533224.db2.gz KSPWEJKQTQRQJV-SJORKVTESA-N 2 1 324.440 3.019 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC001206295780 1091564994 /nfs/dbraw/zinc/56/49/94/1091564994.db2.gz NMFVYWGANVINGQ-CYBMUJFWSA-N 2 1 317.296 3.462 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001206269680 1091557631 /nfs/dbraw/zinc/55/76/31/1091557631.db2.gz RMOYTDMIAUPTQN-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP C[C@H]1C[NH2+]CC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001206269840 1091558257 /nfs/dbraw/zinc/55/82/57/1091558257.db2.gz WDGXKQWMFKPHLI-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001206269840 1091558264 /nfs/dbraw/zinc/55/82/64/1091558264.db2.gz WDGXKQWMFKPHLI-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C1 ZINC001206287424 1091563956 /nfs/dbraw/zinc/56/39/56/1091563956.db2.gz ZVZDSPNVVUSTEV-QGZVFWFLSA-N 2 1 323.484 3.461 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C1 ZINC001206287424 1091563961 /nfs/dbraw/zinc/56/39/61/1091563961.db2.gz ZVZDSPNVVUSTEV-QGZVFWFLSA-N 2 1 323.484 3.461 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001206303713 1091569906 /nfs/dbraw/zinc/56/99/06/1091569906.db2.gz GFAQGHDNVGETIX-INIZCTEOSA-N 2 1 306.841 3.119 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206305200 1091571378 /nfs/dbraw/zinc/57/13/78/1091571378.db2.gz VYFFZEDIMUBZBC-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001206305262 1091571641 /nfs/dbraw/zinc/57/16/41/1091571641.db2.gz XXWBSJBFNVRZJI-MRXNPFEDSA-N 2 1 310.825 3.020 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](OCC[NH+]2CCCC2)C3)cc1 ZINC001206309175 1091571740 /nfs/dbraw/zinc/57/17/40/1091571740.db2.gz LXMCJDQUYXQILK-ACDBMABISA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001206311200 1091573024 /nfs/dbraw/zinc/57/30/24/1091573024.db2.gz LAPLGZZIOOYZTG-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206310746 1091573041 /nfs/dbraw/zinc/57/30/41/1091573041.db2.gz BLWKFGFRNHKYTF-KRWDZBQOSA-N 2 1 312.404 3.314 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001206310803 1091573317 /nfs/dbraw/zinc/57/33/17/1091573317.db2.gz CLZKCFNWKHMSCX-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001206317780 1091576647 /nfs/dbraw/zinc/57/66/47/1091576647.db2.gz IOPUWCMULGWAON-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c2ccccc21 ZINC001206318816 1091576842 /nfs/dbraw/zinc/57/68/42/1091576842.db2.gz UMUMDENXBHUUJT-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccnc2C(F)(F)F)CC1 ZINC001206318976 1091577725 /nfs/dbraw/zinc/57/77/25/1091577725.db2.gz WLOVQMZQCLRWJZ-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c[nH]c21 ZINC001206318529 1091577827 /nfs/dbraw/zinc/57/78/27/1091577827.db2.gz QSEJYBWJROPYSG-GOSISDBHSA-N 2 1 301.434 3.127 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518607 1091582868 /nfs/dbraw/zinc/58/28/68/1091582868.db2.gz BMOLBABBIQVMRK-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518607 1091582877 /nfs/dbraw/zinc/58/28/77/1091582877.db2.gz BMOLBABBIQVMRK-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518607 1091582881 /nfs/dbraw/zinc/58/28/81/1091582881.db2.gz BMOLBABBIQVMRK-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139518607 1091582889 /nfs/dbraw/zinc/58/28/89/1091582889.db2.gz BMOLBABBIQVMRK-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001206352455 1091593522 /nfs/dbraw/zinc/59/35/22/1091593522.db2.gz XUQRYYYSSQCOQH-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001206352455 1091593531 /nfs/dbraw/zinc/59/35/31/1091593531.db2.gz XUQRYYYSSQCOQH-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206361506 1091598193 /nfs/dbraw/zinc/59/81/93/1091598193.db2.gz IHYOQDUGPLRETQ-SFHVURJKSA-N 2 1 301.409 3.130 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccnc(Cl)c2F)CC1 ZINC001139663621 1091636311 /nfs/dbraw/zinc/63/63/11/1091636311.db2.gz QTFIFCWAFLRETM-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnc(Cl)c2F)CC1 ZINC001139663621 1091636319 /nfs/dbraw/zinc/63/63/19/1091636319.db2.gz QTFIFCWAFLRETM-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001139714682 1091651628 /nfs/dbraw/zinc/65/16/28/1091651628.db2.gz JEDIAVFKCHOERM-UHFFFAOYSA-N 2 1 320.452 3.407 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206540189 1091661959 /nfs/dbraw/zinc/66/19/59/1091661959.db2.gz BFYAFZRDZPSMAM-LJQANCHMSA-N 2 1 304.478 3.434 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3cncnc3)c2)C1 ZINC001206547710 1091663874 /nfs/dbraw/zinc/66/38/74/1091663874.db2.gz FLHINCXOWZRMKL-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)C1 ZINC001206556030 1091668345 /nfs/dbraw/zinc/66/83/45/1091668345.db2.gz MNWHGBXQPLDEMU-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001206556859 1091668863 /nfs/dbraw/zinc/66/88/63/1091668863.db2.gz YNDGVNPUWAXLQN-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP COCCCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206563676 1091670626 /nfs/dbraw/zinc/67/06/26/1091670626.db2.gz GVONTYGAZLDZQC-IBGZPJMESA-N 2 1 320.477 3.053 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c(OCC3CC3)c2)C1 ZINC001206566315 1091671527 /nfs/dbraw/zinc/67/15/27/1091671527.db2.gz ZQRXFCPPKOQNAL-IBGZPJMESA-N 2 1 318.461 3.132 20 0 DGADMP CCc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc(CC)c1O ZINC001206565599 1091671859 /nfs/dbraw/zinc/67/18/59/1091671859.db2.gz UTEJCUIZPSIGQA-LJQANCHMSA-N 2 1 304.478 3.468 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001206564869 1091671920 /nfs/dbraw/zinc/67/19/20/1091671920.db2.gz QUDBLJKRLKHAIV-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c2ccccc21 ZINC001206564519 1091672028 /nfs/dbraw/zinc/67/20/28/1091672028.db2.gz PWSKXGMLLAUREX-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001206564439 1091672073 /nfs/dbraw/zinc/67/20/73/1091672073.db2.gz NMVKNKBIQDJGCC-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001206574202 1091674672 /nfs/dbraw/zinc/67/46/72/1091674672.db2.gz QLKUMPJUVRRWON-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001202973381 1091676453 /nfs/dbraw/zinc/67/64/53/1091676453.db2.gz GAHFVVUUZOTXRJ-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc21 ZINC001206581085 1091676878 /nfs/dbraw/zinc/67/68/78/1091676878.db2.gz IGYYPKMRYXQCPO-IBGZPJMESA-N 2 1 301.478 3.020 20 0 DGADMP CSc1cc(C)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cn1 ZINC001206599148 1091683924 /nfs/dbraw/zinc/68/39/24/1091683924.db2.gz OZSYFLJBKHVXMX-INIZCTEOSA-N 2 1 307.507 3.464 20 0 DGADMP [NH3+]C[C@H]1CCCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206607373 1091687010 /nfs/dbraw/zinc/68/70/10/1091687010.db2.gz ZQJPNVFRHCPMBI-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607373 1091687015 /nfs/dbraw/zinc/68/70/15/1091687015.db2.gz ZQJPNVFRHCPMBI-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607373 1091687022 /nfs/dbraw/zinc/68/70/22/1091687022.db2.gz ZQJPNVFRHCPMBI-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2O1 ZINC001206624317 1091693415 /nfs/dbraw/zinc/69/34/15/1091693415.db2.gz UEPHVZHFSTUVSP-INIZCTEOSA-N 2 1 302.462 3.351 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC001139872222 1091697756 /nfs/dbraw/zinc/69/77/56/1091697756.db2.gz BIFHOJWQIUOSJX-UHFFFAOYSA-N 2 1 320.440 3.204 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1C(F)(F)F ZINC001206761052 1091727965 /nfs/dbraw/zinc/72/79/65/1091727965.db2.gz SBYHXDUBGQJJRE-OLZOCXBDSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768273 1091732001 /nfs/dbraw/zinc/73/20/01/1091732001.db2.gz IHJDECFMDCMKRS-CVEARBPZSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768273 1091732004 /nfs/dbraw/zinc/73/20/04/1091732004.db2.gz IHJDECFMDCMKRS-CVEARBPZSA-N 2 1 317.477 3.352 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001206781835 1091737276 /nfs/dbraw/zinc/73/72/76/1091737276.db2.gz IMSZWIANLIJVNP-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140023559 1091742377 /nfs/dbraw/zinc/74/23/77/1091742377.db2.gz QMBDNKBQRBTAFX-PKOBYXMFSA-N 2 1 311.429 3.182 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-n1ccnc1C ZINC001140027335 1091744937 /nfs/dbraw/zinc/74/49/37/1091744937.db2.gz IWFLAYZTMMSVQG-UHFFFAOYSA-N 2 1 314.477 3.344 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@H](C)C[NH+](C)C)n2c1 ZINC001206801299 1091746219 /nfs/dbraw/zinc/74/62/19/1091746219.db2.gz VBNHCRSEFRJBMQ-AEFFLSMTSA-N 2 1 314.477 3.195 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@H](C)C[NH+](C)C)n2c1 ZINC001206801299 1091746223 /nfs/dbraw/zinc/74/62/23/1091746223.db2.gz VBNHCRSEFRJBMQ-AEFFLSMTSA-N 2 1 314.477 3.195 20 0 DGADMP COc1ccc2sc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206808144 1091749878 /nfs/dbraw/zinc/74/98/78/1091749878.db2.gz JVNXPEGWKSNEMY-QWHCGFSZSA-N 2 1 304.459 3.469 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)n21 ZINC001206807261 1091750035 /nfs/dbraw/zinc/75/00/35/1091750035.db2.gz ICLYFAFVBDKLFS-KBPBESRZSA-N 2 1 318.490 3.006 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)n21 ZINC001206807261 1091750041 /nfs/dbraw/zinc/75/00/41/1091750041.db2.gz ICLYFAFVBDKLFS-KBPBESRZSA-N 2 1 318.490 3.006 20 0 DGADMP Cc1ncsc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001206863504 1091774572 /nfs/dbraw/zinc/77/45/72/1091774572.db2.gz RTHXPXNOXVGCIG-OKILXGFUSA-N 2 1 319.499 3.077 20 0 DGADMP Cc1ncsc1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001206863504 1091774582 /nfs/dbraw/zinc/77/45/82/1091774582.db2.gz RTHXPXNOXVGCIG-OKILXGFUSA-N 2 1 319.499 3.077 20 0 DGADMP Cc1ncsc1C[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001206863504 1091774590 /nfs/dbraw/zinc/77/45/90/1091774590.db2.gz RTHXPXNOXVGCIG-OKILXGFUSA-N 2 1 319.499 3.077 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001140272661 1091813517 /nfs/dbraw/zinc/81/35/17/1091813517.db2.gz YMMNRMWEBZYNSE-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001140272661 1091813524 /nfs/dbraw/zinc/81/35/24/1091813524.db2.gz YMMNRMWEBZYNSE-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001140272661 1091813531 /nfs/dbraw/zinc/81/35/31/1091813531.db2.gz YMMNRMWEBZYNSE-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC001140272661 1091813537 /nfs/dbraw/zinc/81/35/37/1091813537.db2.gz YMMNRMWEBZYNSE-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140332345 1091829110 /nfs/dbraw/zinc/82/91/10/1091829110.db2.gz RYCFQEGSUVIAJK-SJORKVTESA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140332345 1091829114 /nfs/dbraw/zinc/82/91/14/1091829114.db2.gz RYCFQEGSUVIAJK-SJORKVTESA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4nccs4)c3)C[C@@H]2C1 ZINC001140332345 1091829118 /nfs/dbraw/zinc/82/91/18/1091829118.db2.gz RYCFQEGSUVIAJK-SJORKVTESA-N 2 1 313.470 3.194 20 0 DGADMP c1[nH+]c(CN2CCCC[C@H]2CC[NH+]2CCCC2)n2ccccc12 ZINC001207050880 1091830452 /nfs/dbraw/zinc/83/04/52/1091830452.db2.gz FJMFKIWPXZDQSD-KRWDZBQOSA-N 2 1 312.461 3.175 20 0 DGADMP C[N@@H+](Cc1cc[nH]c(=O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207127072 1091853804 /nfs/dbraw/zinc/85/38/04/1091853804.db2.gz WXWKMKFUCREBMA-UHFFFAOYSA-N 2 1 303.450 3.016 20 0 DGADMP CCCOc1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC001207175396 1091874762 /nfs/dbraw/zinc/87/47/62/1091874762.db2.gz UEKQAAHPXUETPH-ROUUACIJSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001207175396 1091874771 /nfs/dbraw/zinc/87/47/71/1091874771.db2.gz UEKQAAHPXUETPH-ROUUACIJSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001207175396 1091874777 /nfs/dbraw/zinc/87/47/77/1091874777.db2.gz UEKQAAHPXUETPH-ROUUACIJSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C ZINC001207175396 1091874786 /nfs/dbraw/zinc/87/47/86/1091874786.db2.gz UEKQAAHPXUETPH-ROUUACIJSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC001207175396 1091874796 /nfs/dbraw/zinc/87/47/96/1091874796.db2.gz UEKQAAHPXUETPH-ROUUACIJSA-N 2 1 302.462 3.310 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182807 1091878401 /nfs/dbraw/zinc/87/84/01/1091878401.db2.gz LRVOFVFFKVWDFO-XLMAVXFVSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182807 1091878410 /nfs/dbraw/zinc/87/84/10/1091878410.db2.gz LRVOFVFFKVWDFO-XLMAVXFVSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182807 1091878417 /nfs/dbraw/zinc/87/84/17/1091878417.db2.gz LRVOFVFFKVWDFO-XLMAVXFVSA-N 2 1 304.865 3.327 20 0 DGADMP C[C@@H]1CN(CC(C)(C)C[NH+](C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001207274242 1091906096 /nfs/dbraw/zinc/90/60/96/1091906096.db2.gz AOLGFVKLKUTMLZ-MSOLQXFVSA-N 2 1 317.521 3.169 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001207285431 1091910722 /nfs/dbraw/zinc/91/07/22/1091910722.db2.gz KHOWWHZNWOAISE-MRXNPFEDSA-N 2 1 307.507 3.226 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001207285431 1091910731 /nfs/dbraw/zinc/91/07/31/1091910731.db2.gz KHOWWHZNWOAISE-MRXNPFEDSA-N 2 1 307.507 3.226 20 0 DGADMP COC[C@@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286930 1091912698 /nfs/dbraw/zinc/91/26/98/1091912698.db2.gz PJWVWGWALSCMOZ-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(=O)[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290749 1091913672 /nfs/dbraw/zinc/91/36/72/1091913672.db2.gz BRUCPHXNQJSZKQ-FQEVSTJZSA-N 2 1 314.473 3.200 20 0 DGADMP CO[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001207295449 1091915411 /nfs/dbraw/zinc/91/54/11/1091915411.db2.gz QUQJCVOMELDQKS-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294773 1091915821 /nfs/dbraw/zinc/91/58/21/1091915821.db2.gz TXHYYPGHTJPDKY-UHFFFAOYSA-N 3 1 317.521 3.172 20 0 DGADMP CC[N@H+](CCCN(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294773 1091915828 /nfs/dbraw/zinc/91/58/28/1091915828.db2.gz TXHYYPGHTJPDKY-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CC[N@@H+](CCCN(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294773 1091915836 /nfs/dbraw/zinc/91/58/36/1091915836.db2.gz TXHYYPGHTJPDKY-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1O ZINC001140579170 1091916924 /nfs/dbraw/zinc/91/69/24/1091916924.db2.gz NPMOXTZGEBZHJR-PMACEKPBSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC001207398242 1091954135 /nfs/dbraw/zinc/95/41/35/1091954135.db2.gz BQEODUKWYKGHTE-IBGZPJMESA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706580 1091966716 /nfs/dbraw/zinc/96/67/16/1091966716.db2.gz UKDMRYHQAJWGJN-YZGWKJHDSA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706580 1091966727 /nfs/dbraw/zinc/96/67/27/1091966727.db2.gz UKDMRYHQAJWGJN-YZGWKJHDSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706580 1091966737 /nfs/dbraw/zinc/96/67/37/1091966737.db2.gz UKDMRYHQAJWGJN-YZGWKJHDSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706580 1091966747 /nfs/dbraw/zinc/96/67/47/1091966747.db2.gz UKDMRYHQAJWGJN-YZGWKJHDSA-N 2 1 324.472 3.142 20 0 DGADMP FC1(F)C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1Cc1ccccc1 ZINC001207442373 1091969579 /nfs/dbraw/zinc/96/95/79/1091969579.db2.gz YXDNFAJFZAPGBU-KRWDZBQOSA-N 2 1 308.416 3.186 20 0 DGADMP FC1(F)C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1Cc1ccccc1 ZINC001207442373 1091969587 /nfs/dbraw/zinc/96/95/87/1091969587.db2.gz YXDNFAJFZAPGBU-KRWDZBQOSA-N 2 1 308.416 3.186 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccccc2OC)CC1 ZINC001207458429 1091975939 /nfs/dbraw/zinc/97/59/39/1091975939.db2.gz UQKFECRMQPIQQN-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP C[NH+]1CCC(CC[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001207483204 1091982579 /nfs/dbraw/zinc/98/25/79/1091982579.db2.gz IKVLHYGOPPSBRN-AABGKKOBSA-N 2 1 320.521 3.245 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3ncn(C)c3c2)CC1 ZINC001140746974 1091983479 /nfs/dbraw/zinc/98/34/79/1091983479.db2.gz QUMWLZXFTFMLJU-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP Cc1ccc([C@@]2(C)C[N@@H+](CCC3CC[NH+](C)CC3)CCO2)cc1 ZINC001207486437 1091984494 /nfs/dbraw/zinc/98/44/94/1091984494.db2.gz INNIDLWOFHITNB-HXUWFJFHSA-N 2 1 316.489 3.274 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001207488022 1091985463 /nfs/dbraw/zinc/98/54/63/1091985463.db2.gz CCISOMGGCJTBPB-GOSISDBHSA-N 2 1 306.425 3.011 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC001276538881 1092008089 /nfs/dbraw/zinc/00/80/89/1092008089.db2.gz JGEZWBOSEKRAMI-UHFFFAOYSA-N 2 1 316.474 3.056 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001140803321 1092009045 /nfs/dbraw/zinc/00/90/45/1092009045.db2.gz OETLGPQCNFABMS-QGZVFWFLSA-N 2 1 307.397 3.354 20 0 DGADMP C[N@H+](CCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001207528381 1092009147 /nfs/dbraw/zinc/00/91/47/1092009147.db2.gz VOTOUYKXQOGMOQ-UHFFFAOYSA-N 2 1 311.267 3.018 20 0 DGADMP C[N@@H+](CCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001207528381 1092009156 /nfs/dbraw/zinc/00/91/56/1092009156.db2.gz VOTOUYKXQOGMOQ-UHFFFAOYSA-N 2 1 311.267 3.018 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001140803321 1092009054 /nfs/dbraw/zinc/00/90/54/1092009054.db2.gz OETLGPQCNFABMS-QGZVFWFLSA-N 2 1 307.397 3.354 20 0 DGADMP CCC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@@H](C)CC ZINC001140967676 1092088530 /nfs/dbraw/zinc/08/85/30/1092088530.db2.gz AKBXYTAUDPEXDZ-KRWDZBQOSA-N 2 1 303.494 3.449 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnccc4C)C[C@H]3C2)cc1 ZINC001141033889 1092113340 /nfs/dbraw/zinc/11/33/40/1092113340.db2.gz IGOOCJPVKIRTGY-NHCUHLMSSA-N 2 1 321.468 3.262 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC001207910585 1092138613 /nfs/dbraw/zinc/13/86/13/1092138613.db2.gz VEBIJMFYPRBUEV-PXNSSMCTSA-N 2 1 316.489 3.365 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ncccn2)cc1 ZINC001141190544 1092168629 /nfs/dbraw/zinc/16/86/29/1092168629.db2.gz KCXUPRFDJYMUPC-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CCOCC1 ZINC001208076934 1092190275 /nfs/dbraw/zinc/19/02/75/1092190275.db2.gz MTPPVBWTIDYHQC-LJQANCHMSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CCOCC1 ZINC001208076934 1092190283 /nfs/dbraw/zinc/19/02/83/1092190283.db2.gz MTPPVBWTIDYHQC-LJQANCHMSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CCOCC1 ZINC001208076934 1092190284 /nfs/dbraw/zinc/19/02/84/1092190284.db2.gz MTPPVBWTIDYHQC-LJQANCHMSA-N 2 1 316.489 3.257 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(-n2ccnc2)c1 ZINC001141243678 1092191607 /nfs/dbraw/zinc/19/16/07/1092191607.db2.gz RKWRAXIOIBIWBP-UHFFFAOYSA-N 2 1 300.450 3.036 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC001208109020 1092198426 /nfs/dbraw/zinc/19/84/26/1092198426.db2.gz JPMDZSBGLQEKLI-LJQANCHMSA-N 2 1 320.452 3.105 20 0 DGADMP CC/C=C\CCC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001208135626 1092211918 /nfs/dbraw/zinc/21/19/18/1092211918.db2.gz JCNCNLUKZOFIMF-TZFVZSICSA-N 2 1 320.521 3.413 20 0 DGADMP CC/C=C\CCC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001208135626 1092211928 /nfs/dbraw/zinc/21/19/28/1092211928.db2.gz JCNCNLUKZOFIMF-TZFVZSICSA-N 2 1 320.521 3.413 20 0 DGADMP CC/C=C\CCC[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001208135626 1092211940 /nfs/dbraw/zinc/21/19/40/1092211940.db2.gz JCNCNLUKZOFIMF-TZFVZSICSA-N 2 1 320.521 3.413 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@@H]1C ZINC001208187861 1092247239 /nfs/dbraw/zinc/24/72/39/1092247239.db2.gz BOBBJRWIEHDSHY-DLBZAZTESA-N 2 1 324.509 3.020 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2cccc(F)c2)CC1 ZINC001208196732 1092259229 /nfs/dbraw/zinc/25/92/29/1092259229.db2.gz ILLIUZAOMRRVOQ-UHFFFAOYSA-N 2 1 313.420 3.311 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C2)C1 ZINC001141590597 1092285278 /nfs/dbraw/zinc/28/52/78/1092285278.db2.gz GJOHZWSWTHUXEM-KRWDZBQOSA-N 2 1 303.837 3.349 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208278810 1092298393 /nfs/dbraw/zinc/29/83/93/1092298393.db2.gz BIVAZAFWIBLMSM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)[C@H]1CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208587968 1092410698 /nfs/dbraw/zinc/41/06/98/1092410698.db2.gz BQYBFDKXARVPGF-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001208599781 1092419403 /nfs/dbraw/zinc/41/94/03/1092419403.db2.gz MGPSNLIKQIMENM-GOSISDBHSA-N 2 1 306.425 3.011 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001208598062 1092420519 /nfs/dbraw/zinc/42/05/19/1092420519.db2.gz RXAUMSDAFPNPEG-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001208598062 1092420521 /nfs/dbraw/zinc/42/05/21/1092420521.db2.gz RXAUMSDAFPNPEG-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC001208601226 1092421895 /nfs/dbraw/zinc/42/18/95/1092421895.db2.gz KQUYBNMNQVJNGS-IBGZPJMESA-N 2 1 320.452 3.105 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)[nH]1 ZINC001276570803 1092422560 /nfs/dbraw/zinc/42/25/60/1092422560.db2.gz WVWRBQMQWAUMET-CALCHBBNSA-N 2 1 316.493 3.113 20 0 DGADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)[nH]1 ZINC001276570803 1092422571 /nfs/dbraw/zinc/42/25/71/1092422571.db2.gz WVWRBQMQWAUMET-CALCHBBNSA-N 2 1 316.493 3.113 20 0 DGADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)[nH]1 ZINC001276570803 1092422575 /nfs/dbraw/zinc/42/25/75/1092422575.db2.gz WVWRBQMQWAUMET-CALCHBBNSA-N 2 1 316.493 3.113 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001208613462 1092429409 /nfs/dbraw/zinc/42/94/09/1092429409.db2.gz USSWGXHREPASQX-SQGPQFPESA-N 2 1 316.489 3.334 20 0 DGADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001208613462 1092429413 /nfs/dbraw/zinc/42/94/13/1092429413.db2.gz USSWGXHREPASQX-SQGPQFPESA-N 2 1 316.489 3.334 20 0 DGADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001208613462 1092429417 /nfs/dbraw/zinc/42/94/17/1092429417.db2.gz USSWGXHREPASQX-SQGPQFPESA-N 2 1 316.489 3.334 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001208683447 1092454435 /nfs/dbraw/zinc/45/44/35/1092454435.db2.gz HMCCPKMOWXAIRK-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001208683447 1092454444 /nfs/dbraw/zinc/45/44/44/1092454444.db2.gz HMCCPKMOWXAIRK-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001208683447 1092454449 /nfs/dbraw/zinc/45/44/49/1092454449.db2.gz HMCCPKMOWXAIRK-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001208683447 1092454459 /nfs/dbraw/zinc/45/44/59/1092454459.db2.gz HMCCPKMOWXAIRK-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCC(C)C)C2 ZINC001208733834 1092481197 /nfs/dbraw/zinc/48/11/97/1092481197.db2.gz WGXSHPANFJIRQQ-MOPGFXCFSA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCC(C)C)C2 ZINC001208733834 1092481205 /nfs/dbraw/zinc/48/12/05/1092481205.db2.gz WGXSHPANFJIRQQ-MOPGFXCFSA-N 2 1 308.510 3.103 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCC(C)C)C2 ZINC001208733834 1092481213 /nfs/dbraw/zinc/48/12/13/1092481213.db2.gz WGXSHPANFJIRQQ-MOPGFXCFSA-N 2 1 308.510 3.103 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3nn(C)cc32)CC1 ZINC001142473883 1092487414 /nfs/dbraw/zinc/48/74/14/1092487414.db2.gz YEHKMYFWZURKEC-UHFFFAOYSA-N 2 1 314.477 3.270 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C2 ZINC001169082446 1092535668 /nfs/dbraw/zinc/53/56/68/1092535668.db2.gz ZGWIFUGZFABNAG-PHZGNYQRSA-N 2 1 312.379 3.463 20 0 DGADMP COc1ccc(CC2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001169117856 1092541642 /nfs/dbraw/zinc/54/16/42/1092541642.db2.gz AUIFIRXZJWIGSM-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CCOCC1)C2 ZINC001169118378 1092542271 /nfs/dbraw/zinc/54/22/71/1092542271.db2.gz ISJXCABHDLOPBD-NNZMDNLPSA-N 2 1 318.436 3.046 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169119546 1092542785 /nfs/dbraw/zinc/54/27/85/1092542785.db2.gz UCRGRFXHSOEUOE-NNZMDNLPSA-N 2 1 314.473 3.233 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccccc3)CC1)C2 ZINC001169124917 1092544759 /nfs/dbraw/zinc/54/47/59/1092544759.db2.gz HBAATXRTOZCMCO-BJWYYQGGSA-N 2 1 300.446 3.155 20 0 DGADMP CC(C)Nc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169137295 1092549506 /nfs/dbraw/zinc/54/95/06/1092549506.db2.gz KMXXBLDLNBXZLO-GUYCJALGSA-N 2 1 305.470 3.253 20 0 DGADMP COc1ccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001169109376 1092554019 /nfs/dbraw/zinc/55/40/19/1092554019.db2.gz BMKZZRXSNYTYBN-OSYLJGHBSA-N 2 1 300.446 3.289 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(C[NH3+])c(C(F)(F)F)c1)C2 ZINC001169107826 1092554339 /nfs/dbraw/zinc/55/43/39/1092554339.db2.gz KUAWGXIIRNSEBX-ZSOGYDGISA-N 2 1 313.367 3.201 20 0 DGADMP COc1cccc(CC(C)(C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169115332 1092556373 /nfs/dbraw/zinc/55/63/73/1092556373.db2.gz IUOAATLMPRRKHK-BCDXTJNWSA-N 2 1 316.489 3.479 20 0 DGADMP COc1ccc(C2=CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)cc1 ZINC001169154217 1092566957 /nfs/dbraw/zinc/56/69/57/1092566957.db2.gz OMHGGLBWALIJNC-REPLKXPHSA-N 2 1 312.457 3.410 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169154217 1092566967 /nfs/dbraw/zinc/56/69/67/1092566967.db2.gz OMHGGLBWALIJNC-REPLKXPHSA-N 2 1 312.457 3.410 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169154217 1092566978 /nfs/dbraw/zinc/56/69/78/1092566978.db2.gz OMHGGLBWALIJNC-REPLKXPHSA-N 2 1 312.457 3.410 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169154997 1092568734 /nfs/dbraw/zinc/56/87/34/1092568734.db2.gz VOOIHMODWGWJEA-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169154997 1092568741 /nfs/dbraw/zinc/56/87/41/1092568741.db2.gz VOOIHMODWGWJEA-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169154997 1092568754 /nfs/dbraw/zinc/56/87/54/1092568754.db2.gz VOOIHMODWGWJEA-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(CC(=O)OC(C)(C)C)CC1)C2 ZINC001169155625 1092569927 /nfs/dbraw/zinc/56/99/27/1092569927.db2.gz SPUYQEZSEHZIQK-FVQHAEBGSA-N 2 1 322.493 3.055 20 0 DGADMP CN(C1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162931 1092573155 /nfs/dbraw/zinc/57/31/55/1092573155.db2.gz VNIDAIHBGVWIJA-ACDBMABISA-N 2 1 319.537 3.341 20 0 DGADMP FC1(F)C[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208934279 1092594918 /nfs/dbraw/zinc/59/49/18/1092594918.db2.gz YICACHUBWZILMG-KSZLIROESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208934279 1092594927 /nfs/dbraw/zinc/59/49/27/1092594927.db2.gz YICACHUBWZILMG-KSZLIROESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208934279 1092594930 /nfs/dbraw/zinc/59/49/30/1092594930.db2.gz YICACHUBWZILMG-KSZLIROESA-N 2 1 320.427 3.486 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208941562 1092602130 /nfs/dbraw/zinc/60/21/30/1092602130.db2.gz BICSQNDWMJHJOW-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208941562 1092602135 /nfs/dbraw/zinc/60/21/35/1092602135.db2.gz BICSQNDWMJHJOW-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208941562 1092602140 /nfs/dbraw/zinc/60/21/40/1092602140.db2.gz BICSQNDWMJHJOW-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3cccc(OC)c3)C2)CC1 ZINC001169262140 1092605621 /nfs/dbraw/zinc/60/56/21/1092605621.db2.gz SYUMBGIBSBQJQT-SFHVURJKSA-N 2 1 316.489 3.434 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Cc3cccc(OC)c3)C2)CC1 ZINC001169262140 1092605628 /nfs/dbraw/zinc/60/56/28/1092605628.db2.gz SYUMBGIBSBQJQT-SFHVURJKSA-N 2 1 316.489 3.434 20 0 DGADMP C[C@@H]([NH3+])c1ccn(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)n1 ZINC001169234295 1092605898 /nfs/dbraw/zinc/60/58/98/1092605898.db2.gz GCYXUVAEKRXIMH-OAHLLOKOSA-N 2 1 318.424 3.408 20 0 DGADMP CC[NH+]1CCC([N@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC1 ZINC001169263741 1092607693 /nfs/dbraw/zinc/60/76/93/1092607693.db2.gz AQFQNDSOGLSLBB-INIZCTEOSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CCC([N@@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC1 ZINC001169263741 1092607699 /nfs/dbraw/zinc/60/76/99/1092607699.db2.gz AQFQNDSOGLSLBB-INIZCTEOSA-N 2 1 320.477 3.016 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208952562 1092607964 /nfs/dbraw/zinc/60/79/64/1092607964.db2.gz KSYCBQNLKCRWMV-RBUKOAKNSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208952562 1092607967 /nfs/dbraw/zinc/60/79/67/1092607967.db2.gz KSYCBQNLKCRWMV-RBUKOAKNSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208952562 1092607974 /nfs/dbraw/zinc/60/79/74/1092607974.db2.gz KSYCBQNLKCRWMV-RBUKOAKNSA-N 2 1 302.462 3.008 20 0 DGADMP CCCN(CCC[NH+](C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956252 1092610684 /nfs/dbraw/zinc/61/06/84/1092610684.db2.gz GQUYMTMVTOOAFG-FQEVSTJZSA-N 3 1 317.521 3.172 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC1 ZINC001169259020 1092621252 /nfs/dbraw/zinc/62/12/52/1092621252.db2.gz YTIRDSJOJYIOQK-IBGZPJMESA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC1 ZINC001169259020 1092621257 /nfs/dbraw/zinc/62/12/57/1092621257.db2.gz YTIRDSJOJYIOQK-IBGZPJMESA-N 2 1 302.462 3.323 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169273970 1092621924 /nfs/dbraw/zinc/62/19/24/1092621924.db2.gz DIEWUWFKOSKSPO-UHFFFAOYSA-N 2 1 318.461 3.214 20 0 DGADMP Clc1ccc(CC[N@H+]2CCc3[nH+]ccn3CC2)c(Cl)c1 ZINC001209082683 1092644365 /nfs/dbraw/zinc/64/43/65/1092644365.db2.gz AUTKDXBPAUIDCV-UHFFFAOYSA-N 2 1 310.228 3.291 20 0 DGADMP Clc1ccc(CC[N@@H+]2CCc3[nH+]ccn3CC2)c(Cl)c1 ZINC001209082683 1092644372 /nfs/dbraw/zinc/64/43/72/1092644372.db2.gz AUTKDXBPAUIDCV-UHFFFAOYSA-N 2 1 310.228 3.291 20 0 DGADMP CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1F ZINC001143276179 1092647392 /nfs/dbraw/zinc/64/73/92/1092647392.db2.gz HXOJWROZZJNIIS-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c2ccccc21 ZINC001169369287 1092656798 /nfs/dbraw/zinc/65/67/98/1092656798.db2.gz ZWAAYIXUMWGMEM-CXAGYDPISA-N 2 1 323.444 3.065 20 0 DGADMP CN1CCC[C@@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127496 1092665213 /nfs/dbraw/zinc/66/52/13/1092665213.db2.gz VVHBDGMBDJJYQH-GDBMZVCRSA-N 2 1 312.379 3.274 20 0 DGADMP C[N@@H+]1CCC[C@@H]2CN(CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127496 1092665214 /nfs/dbraw/zinc/66/52/14/1092665214.db2.gz VVHBDGMBDJJYQH-GDBMZVCRSA-N 2 1 312.379 3.274 20 0 DGADMP COCCCC[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001209215580 1092696308 /nfs/dbraw/zinc/69/63/08/1092696308.db2.gz NCVPWUWOMLMNDE-GOSISDBHSA-N 2 1 320.477 3.383 20 0 DGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CCCCOC)CC1 ZINC001209218303 1092699022 /nfs/dbraw/zinc/69/90/22/1092699022.db2.gz AFQKXPULHAEJNN-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCCOC)CC1 ZINC001209218303 1092699027 /nfs/dbraw/zinc/69/90/27/1092699027.db2.gz AFQKXPULHAEJNN-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3cccs3)C2)C1 ZINC001209223303 1092701505 /nfs/dbraw/zinc/70/15/05/1092701505.db2.gz YYQZNCWGYCJWEP-SFHVURJKSA-N 2 1 322.518 3.113 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3cccs3)C2)C1 ZINC001209223303 1092701510 /nfs/dbraw/zinc/70/15/10/1092701510.db2.gz YYQZNCWGYCJWEP-SFHVURJKSA-N 2 1 322.518 3.113 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3cccs3)C2)C1 ZINC001209223303 1092701517 /nfs/dbraw/zinc/70/15/17/1092701517.db2.gz YYQZNCWGYCJWEP-SFHVURJKSA-N 2 1 322.518 3.113 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3cccs3)C2)C1 ZINC001209223303 1092701523 /nfs/dbraw/zinc/70/15/23/1092701523.db2.gz YYQZNCWGYCJWEP-SFHVURJKSA-N 2 1 322.518 3.113 20 0 DGADMP c1ccc(OCC[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001209297054 1092728708 /nfs/dbraw/zinc/72/87/08/1092728708.db2.gz QNKVFVMVOMRKPL-UHFFFAOYSA-N 2 1 314.473 3.406 20 0 DGADMP c1ccc(OCC[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001209297054 1092728713 /nfs/dbraw/zinc/72/87/13/1092728713.db2.gz QNKVFVMVOMRKPL-UHFFFAOYSA-N 2 1 314.473 3.406 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCOc1ccccc1 ZINC001209300639 1092729204 /nfs/dbraw/zinc/72/92/04/1092729204.db2.gz DGZYFUSACNZUQP-ZWKOTPCHSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC001209300639 1092729212 /nfs/dbraw/zinc/72/92/12/1092729212.db2.gz DGZYFUSACNZUQP-ZWKOTPCHSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC001209300639 1092729218 /nfs/dbraw/zinc/72/92/18/1092729218.db2.gz DGZYFUSACNZUQP-ZWKOTPCHSA-N 2 1 302.462 3.404 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCOc2ccccc2)CC1 ZINC001209298385 1092729518 /nfs/dbraw/zinc/72/95/18/1092729518.db2.gz SWVMNWGPSKVXHS-UHFFFAOYSA-N 2 1 311.429 3.008 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001209380639 1092748924 /nfs/dbraw/zinc/74/89/24/1092748924.db2.gz MKIWOGHDRWLRCA-HZPDHXFCSA-N 2 1 317.477 3.132 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632886 1092764153 /nfs/dbraw/zinc/76/41/53/1092764153.db2.gz QEMIWDIIKRUTAU-INIZCTEOSA-N 2 1 310.445 3.013 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448982 1092778311 /nfs/dbraw/zinc/77/83/11/1092778311.db2.gz OHBMQRQPQRYESW-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448982 1092778322 /nfs/dbraw/zinc/77/83/22/1092778322.db2.gz OHBMQRQPQRYESW-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP c1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566649 1092825783 /nfs/dbraw/zinc/82/57/83/1092825783.db2.gz PMAFCTVFJNSTAV-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566649 1092825788 /nfs/dbraw/zinc/82/57/88/1092825788.db2.gz PMAFCTVFJNSTAV-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566649 1092825795 /nfs/dbraw/zinc/82/57/95/1092825795.db2.gz PMAFCTVFJNSTAV-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566649 1092825803 /nfs/dbraw/zinc/82/58/03/1092825803.db2.gz PMAFCTVFJNSTAV-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566649 1092825810 /nfs/dbraw/zinc/82/58/10/1092825810.db2.gz PMAFCTVFJNSTAV-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP CC[NH+](CC)C1CC[NH+](Cc2c(C)[nH]c3ncccc23)CC1 ZINC001209589198 1092838475 /nfs/dbraw/zinc/83/84/75/1092838475.db2.gz XZARSVYKLHOPMY-UHFFFAOYSA-N 2 1 300.450 3.178 20 0 DGADMP COc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(F)cc1Cl ZINC001209667576 1092871288 /nfs/dbraw/zinc/87/12/88/1092871288.db2.gz LNWCQHFRIZOEHM-UHFFFAOYSA-N 2 1 312.816 3.015 20 0 DGADMP C[N@H+]1C[C@H]2C[C@@H](C1)N(CCCc1ccc(Br)cc1)C2 ZINC001276664309 1092878202 /nfs/dbraw/zinc/87/82/02/1092878202.db2.gz RRBSVEQWLRYCJG-ZBFHGGJFSA-N 2 1 323.278 3.018 20 0 DGADMP COc1c(Cl)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001209702381 1092887669 /nfs/dbraw/zinc/88/76/69/1092887669.db2.gz UVNFMTWCEGLWPF-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001206640732 1092888658 /nfs/dbraw/zinc/88/86/58/1092888658.db2.gz LYWSXQXIGIQQMH-HNNXBMFYSA-N 2 1 318.852 3.087 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC001209775964 1092915924 /nfs/dbraw/zinc/91/59/24/1092915924.db2.gz TVKFWSSIEAKSHU-UHFFFAOYSA-N 2 1 324.472 3.195 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)o3)C[C@H]2CC1 ZINC001276676446 1093004921 /nfs/dbraw/zinc/00/49/21/1093004921.db2.gz FPADKXVXAZCLDC-TXEJJXNPSA-N 2 1 302.340 3.072 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)o3)C[C@H]2CC1 ZINC001276676446 1093004928 /nfs/dbraw/zinc/00/49/28/1093004928.db2.gz FPADKXVXAZCLDC-TXEJJXNPSA-N 2 1 302.340 3.072 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)o3)C[C@H]2CC1 ZINC001276676446 1093004933 /nfs/dbraw/zinc/00/49/33/1093004933.db2.gz FPADKXVXAZCLDC-TXEJJXNPSA-N 2 1 302.340 3.072 20 0 DGADMP CN1CCN(c2cccnc2Nc2ccc3cnccc3c2)CC1 ZINC001210047183 1093026841 /nfs/dbraw/zinc/02/68/41/1093026841.db2.gz OYSMXQQSNZVFQH-UHFFFAOYSA-N 2 1 319.412 3.125 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001210184322 1093069643 /nfs/dbraw/zinc/06/96/43/1093069643.db2.gz XQVVAZXWCAEIOI-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210476313 1093181359 /nfs/dbraw/zinc/18/13/59/1093181359.db2.gz UPFHMCCDGMEKMD-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210476313 1093181363 /nfs/dbraw/zinc/18/13/63/1093181363.db2.gz UPFHMCCDGMEKMD-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276726152 1094023589 /nfs/dbraw/zinc/02/35/89/1094023589.db2.gz FOVXBVMFQZZNIY-LJQANCHMSA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276726152 1094023594 /nfs/dbraw/zinc/02/35/94/1094023594.db2.gz FOVXBVMFQZZNIY-LJQANCHMSA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276726152 1094023599 /nfs/dbraw/zinc/02/35/99/1094023599.db2.gz FOVXBVMFQZZNIY-LJQANCHMSA-N 2 1 301.478 3.060 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000404386222 1094256497 /nfs/dbraw/zinc/25/64/97/1094256497.db2.gz WFJIRFCWLWYVOJ-WMLDXEAASA-N 2 1 314.429 3.051 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ccc(-c4ccccc4)n3)C[C@H]2C1 ZINC001120255213 1094395864 /nfs/dbraw/zinc/39/58/64/1094395864.db2.gz AZAOPYWXXQTTIJ-GUDVDZBRSA-N 2 1 324.472 3.170 20 0 DGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170798474 1094422201 /nfs/dbraw/zinc/42/22/01/1094422201.db2.gz BDNPRZLBFNWDPY-CQSZACIVSA-N 2 1 308.853 3.159 20 0 DGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170799375 1094424875 /nfs/dbraw/zinc/42/48/75/1094424875.db2.gz IHDVZVXZUVRQAH-INIZCTEOSA-N 2 1 308.853 3.159 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217698711 1094475603 /nfs/dbraw/zinc/47/56/03/1094475603.db2.gz GFZMAXOEZBQTIV-IHRRRGAJSA-N 2 1 320.824 3.123 20 0 DGADMP CCCC[C@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217727481 1094484277 /nfs/dbraw/zinc/48/42/77/1094484277.db2.gz OSXKMWQMEGOMQT-CVEARBPZSA-N 2 1 314.433 3.249 20 0 DGADMP CCCC[C@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217727481 1094484283 /nfs/dbraw/zinc/48/42/83/1094484283.db2.gz OSXKMWQMEGOMQT-CVEARBPZSA-N 2 1 314.433 3.249 20 0 DGADMP [NH3+]Cc1ccccc1CO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217822376 1094500526 /nfs/dbraw/zinc/50/05/26/1094500526.db2.gz FFSQDCCDOPUPQF-FQEVSTJZSA-N 2 1 310.441 3.327 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@H]1CCC[NH2+]1 ZINC001217850416 1094505228 /nfs/dbraw/zinc/50/52/28/1094505228.db2.gz RWZASEKHYIKWTJ-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001217886803 1094511146 /nfs/dbraw/zinc/51/11/46/1094511146.db2.gz WKKUAFBLGREZRV-ZRNYENFQSA-N 2 1 314.473 3.198 20 0 DGADMP CC1(CO[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC[NH2+]CC1 ZINC001217908450 1094514513 /nfs/dbraw/zinc/51/45/13/1094514513.db2.gz GKNGIJKSCFYSAE-KRWDZBQOSA-N 2 1 320.452 3.196 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC001217908506 1094516091 /nfs/dbraw/zinc/51/60/91/1094516091.db2.gz GXBLDMLLWXKZNZ-AEFFLSMTSA-N 2 1 320.452 3.196 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@H](OCCC3CC[NH2+]CC3)C2)cc1 ZINC001217913083 1094516658 /nfs/dbraw/zinc/51/66/58/1094516658.db2.gz YJBCCQMYMFZKOS-SFHVURJKSA-N 2 1 322.880 3.321 20 0 DGADMP [NH3+]CCCCCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001217930962 1094519407 /nfs/dbraw/zinc/51/94/07/1094519407.db2.gz RDNYQSPFZSRDMT-VAMGGRTRSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)C1 ZINC001276770165 1094602974 /nfs/dbraw/zinc/60/29/74/1094602974.db2.gz IJTAWFRYFCQDHW-UHFFFAOYSA-N 2 1 317.477 3.188 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170833219 1094604972 /nfs/dbraw/zinc/60/49/72/1094604972.db2.gz GODALGXQGCKRMO-IBGZPJMESA-N 2 1 320.452 3.291 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170833219 1094604981 /nfs/dbraw/zinc/60/49/81/1094604981.db2.gz GODALGXQGCKRMO-IBGZPJMESA-N 2 1 320.452 3.291 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170833220 1094607131 /nfs/dbraw/zinc/60/71/31/1094607131.db2.gz GODALGXQGCKRMO-LJQANCHMSA-N 2 1 320.452 3.291 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170833220 1094607135 /nfs/dbraw/zinc/60/71/35/1094607135.db2.gz GODALGXQGCKRMO-LJQANCHMSA-N 2 1 320.452 3.291 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@@H]4CCCOCC4)C3)C2)cc1 ZINC001170831776 1094607964 /nfs/dbraw/zinc/60/79/64/1094607964.db2.gz SLBYHHRKMHWNRO-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@@H]4CCCOCC4)C3)C2)cc1 ZINC001170831776 1094607972 /nfs/dbraw/zinc/60/79/72/1094607972.db2.gz SLBYHHRKMHWNRO-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@@H]4CCCOCC4)C3)C2)cc1 ZINC001170831776 1094607977 /nfs/dbraw/zinc/60/79/77/1094607977.db2.gz SLBYHHRKMHWNRO-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CCC[NH2+]C1 ZINC001336286208 1094615795 /nfs/dbraw/zinc/61/57/95/1094615795.db2.gz OYMAWEVGDIPNCC-DNVCBOLYSA-N 2 1 312.461 3.132 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1Oc2ccccc2[C@H]1C ZINC001336737309 1094717409 /nfs/dbraw/zinc/71/74/09/1094717409.db2.gz XXFLQQLAFFSMNT-DFESNWJESA-N 2 1 300.446 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000309706250 1094758180 /nfs/dbraw/zinc/75/81/80/1094758180.db2.gz HWANGOJKKCTTCO-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001336888711 1094773804 /nfs/dbraw/zinc/77/38/04/1094773804.db2.gz LEUNJAIRVNAYQI-KSZLIROESA-N 2 1 302.462 3.247 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000313679797 1095015374 /nfs/dbraw/zinc/01/53/74/1095015374.db2.gz MEOCLJYSOQPAHU-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000313679797 1095015387 /nfs/dbraw/zinc/01/53/87/1095015387.db2.gz MEOCLJYSOQPAHU-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Fc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001170986890 1095084319 /nfs/dbraw/zinc/08/43/19/1095084319.db2.gz XAZXHAOKDGFQPB-QGZVFWFLSA-N 2 1 302.437 3.243 20 0 DGADMP c1csc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CCCC2)c1 ZINC000316782977 1095191297 /nfs/dbraw/zinc/19/12/97/1095191297.db2.gz VZBOFEMURMQVLB-JFIYKMOQSA-N 2 1 320.502 3.432 20 0 DGADMP c1csc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CCCC2)c1 ZINC000316782977 1095191305 /nfs/dbraw/zinc/19/13/05/1095191305.db2.gz VZBOFEMURMQVLB-JFIYKMOQSA-N 2 1 320.502 3.432 20 0 DGADMP CCCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316808600 1095193140 /nfs/dbraw/zinc/19/31/40/1095193140.db2.gz ODSGXQCDZSXLNU-QRVBRYPASA-N 2 1 302.462 3.371 20 0 DGADMP CCCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000316808600 1095193145 /nfs/dbraw/zinc/19/31/45/1095193145.db2.gz ODSGXQCDZSXLNU-QRVBRYPASA-N 2 1 302.462 3.371 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316948858 1095203636 /nfs/dbraw/zinc/20/36/36/1095203636.db2.gz LGXJITLHVKKMAF-FHWLQOOXSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316948858 1095203647 /nfs/dbraw/zinc/20/36/47/1095203647.db2.gz LGXJITLHVKKMAF-FHWLQOOXSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316948858 1095203656 /nfs/dbraw/zinc/20/36/56/1095203656.db2.gz LGXJITLHVKKMAF-FHWLQOOXSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316948858 1095203669 /nfs/dbraw/zinc/20/36/69/1095203669.db2.gz LGXJITLHVKKMAF-FHWLQOOXSA-N 2 1 302.462 3.153 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055401 1095210587 /nfs/dbraw/zinc/21/05/87/1095210587.db2.gz HCROKJBQHOTCJA-QAPCUYQASA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055401 1095210596 /nfs/dbraw/zinc/21/05/96/1095210596.db2.gz HCROKJBQHOTCJA-QAPCUYQASA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055401 1095210607 /nfs/dbraw/zinc/21/06/07/1095210607.db2.gz HCROKJBQHOTCJA-QAPCUYQASA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4cccc(F)c34)C2)CC1 ZINC001136985430 1095267278 /nfs/dbraw/zinc/26/72/78/1095267278.db2.gz GXGIGFTWGCQPST-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP c1cc2[nH+]ccc(N3CCC([NH2+]C4CCOCC4)CC3)c2s1 ZINC001338420152 1095297699 /nfs/dbraw/zinc/29/76/99/1095297699.db2.gz FJGUVCBYFDCRRE-UHFFFAOYSA-N 2 1 317.458 3.034 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000420915253 1095409764 /nfs/dbraw/zinc/40/97/64/1095409764.db2.gz LCYAJXSCRJULJY-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000420915253 1095409771 /nfs/dbraw/zinc/40/97/71/1095409771.db2.gz LCYAJXSCRJULJY-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000420915253 1095409773 /nfs/dbraw/zinc/40/97/73/1095409773.db2.gz LCYAJXSCRJULJY-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1C ZINC001222148423 1095456726 /nfs/dbraw/zinc/45/67/26/1095456726.db2.gz OOLGQZSBDUJODX-IBGZPJMESA-N 2 1 302.462 3.196 20 0 DGADMP Clc1ccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c[nH]c2c1 ZINC001222148168 1095457053 /nfs/dbraw/zinc/45/70/53/1095457053.db2.gz MUEMOKUMXAUVDF-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222147850 1095457948 /nfs/dbraw/zinc/45/79/48/1095457948.db2.gz BZMCKRHXUYDYDD-HXUWFJFHSA-N 2 1 313.489 3.252 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148103 1095458053 /nfs/dbraw/zinc/45/80/53/1095458053.db2.gz KIMNAQJBKVNQJT-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148103 1095458061 /nfs/dbraw/zinc/45/80/61/1095458061.db2.gz KIMNAQJBKVNQJT-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(COCC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222153842 1095460747 /nfs/dbraw/zinc/46/07/47/1095460747.db2.gz BHOZFWCUKXDTPT-HXUWFJFHSA-N 2 1 316.489 3.449 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171123329 1095461072 /nfs/dbraw/zinc/46/10/72/1095461072.db2.gz VCHIICQEJOOYIV-RYRKJORJSA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171123329 1095461079 /nfs/dbraw/zinc/46/10/79/1095461079.db2.gz VCHIICQEJOOYIV-RYRKJORJSA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171123329 1095461089 /nfs/dbraw/zinc/46/10/89/1095461089.db2.gz VCHIICQEJOOYIV-RYRKJORJSA-N 2 1 304.865 3.081 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)C[C@H](C)O1 ZINC001222160740 1095467414 /nfs/dbraw/zinc/46/74/14/1095467414.db2.gz IKZYSDACOGXZHC-FCGDIQPGSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134196 1095504261 /nfs/dbraw/zinc/50/42/61/1095504261.db2.gz USLXVICNLGDFAQ-ZIFCJYIRSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134196 1095504274 /nfs/dbraw/zinc/50/42/74/1095504274.db2.gz USLXVICNLGDFAQ-ZIFCJYIRSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134196 1095504283 /nfs/dbraw/zinc/50/42/83/1095504283.db2.gz USLXVICNLGDFAQ-ZIFCJYIRSA-N 2 1 318.892 3.471 20 0 DGADMP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222237507 1095505745 /nfs/dbraw/zinc/50/57/45/1095505745.db2.gz LIQLCIPISAJVEH-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222237507 1095505755 /nfs/dbraw/zinc/50/57/55/1095505755.db2.gz LIQLCIPISAJVEH-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2)nc1 ZINC001222248286 1095511556 /nfs/dbraw/zinc/51/15/56/1095511556.db2.gz KKSCGWUSVPMFSK-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2)nc1 ZINC001222248286 1095511565 /nfs/dbraw/zinc/51/15/65/1095511565.db2.gz KKSCGWUSVPMFSK-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222265099 1095518785 /nfs/dbraw/zinc/51/87/85/1095518785.db2.gz OIOQLISZMFKHSU-QGZVFWFLSA-N 2 1 310.388 3.254 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222265099 1095518800 /nfs/dbraw/zinc/51/88/00/1095518800.db2.gz OIOQLISZMFKHSU-QGZVFWFLSA-N 2 1 310.388 3.254 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1C ZINC001222265585 1095521028 /nfs/dbraw/zinc/52/10/28/1095521028.db2.gz WROYUKPAWLNAPT-LJQANCHMSA-N 2 1 302.462 3.278 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222265809 1095521442 /nfs/dbraw/zinc/52/14/42/1095521442.db2.gz ZNFYNZUPLUEAKH-FQEVSTJZSA-N 2 1 313.489 3.252 20 0 DGADMP CCc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(CC)c1O ZINC001144147773 1095537504 /nfs/dbraw/zinc/53/75/04/1095537504.db2.gz FRVUROAWKODURW-UHFFFAOYSA-N 2 1 304.478 3.291 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307747 1095541383 /nfs/dbraw/zinc/54/13/83/1095541383.db2.gz BBXQBTGDYLFCCE-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(OC)c1C ZINC001222308765 1095541805 /nfs/dbraw/zinc/54/18/05/1095541805.db2.gz MJGMUEHJXLFMQK-LJQANCHMSA-N 2 1 318.461 3.120 20 0 DGADMP CCOc1c(F)cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222315590 1095546173 /nfs/dbraw/zinc/54/61/73/1095546173.db2.gz OQMGHIFLTOLULY-SFHVURJKSA-N 2 1 324.415 3.472 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222315590 1095546184 /nfs/dbraw/zinc/54/61/84/1095546184.db2.gz OQMGHIFLTOLULY-SFHVURJKSA-N 2 1 324.415 3.472 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320198 1095551336 /nfs/dbraw/zinc/55/13/36/1095551336.db2.gz CUVVAWNXRYUOMK-IBGZPJMESA-N 2 1 318.461 3.202 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3cccc(Br)c3C2)CC1 ZINC001246547324 1095554100 /nfs/dbraw/zinc/55/41/00/1095554100.db2.gz PESSAPCPMVADLI-KGLIPLIRSA-N 2 1 323.278 3.120 20 0 DGADMP c1ccc(COCCCCC[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335297 1095556094 /nfs/dbraw/zinc/55/60/94/1095556094.db2.gz DWDXAKHVUKOCSL-UHFFFAOYSA-N 2 1 302.462 3.059 20 0 DGADMP CCc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC001144321592 1095603997 /nfs/dbraw/zinc/60/39/97/1095603997.db2.gz RQCXLPVTRKGKOT-BGYRXZFFSA-N 2 1 321.468 3.208 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001222533403 1095656040 /nfs/dbraw/zinc/65/60/40/1095656040.db2.gz XPOIMSCRIQVMHC-UHFFFAOYSA-N 2 1 308.294 3.107 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596366 1095682833 /nfs/dbraw/zinc/68/28/33/1095682833.db2.gz VBQVHXSKCWRRGX-HXUWFJFHSA-N 2 1 322.452 3.274 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1 ZINC001222602626 1095688189 /nfs/dbraw/zinc/68/81/89/1095688189.db2.gz VRSIHXWINQCEOE-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1 ZINC001222602626 1095688195 /nfs/dbraw/zinc/68/81/95/1095688195.db2.gz VRSIHXWINQCEOE-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222615206 1095696210 /nfs/dbraw/zinc/69/62/10/1095696210.db2.gz NGMQYVQGUXAXKO-GOEBONIOSA-N 2 1 312.379 3.322 20 0 DGADMP CC[C@@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)c1ccccc1C ZINC001171197154 1095697110 /nfs/dbraw/zinc/69/71/10/1095697110.db2.gz DZVRAWASJFDABI-QGZVFWFLSA-N 2 1 310.445 3.363 20 0 DGADMP Clc1ccc(-n2cccc2C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620444 1095698396 /nfs/dbraw/zinc/69/83/96/1095698396.db2.gz SFYMCAZTEGJHSM-KBXCAEBGSA-N 2 1 315.848 3.315 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620444 1095698405 /nfs/dbraw/zinc/69/84/05/1095698405.db2.gz SFYMCAZTEGJHSM-KBXCAEBGSA-N 2 1 315.848 3.315 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ncccc3C(F)(F)F)(C1)CCC2 ZINC001276391897 1095700260 /nfs/dbraw/zinc/70/02/60/1095700260.db2.gz XNTULZFOZHGOKE-LSDHHAIUSA-N 2 1 313.367 3.255 20 0 DGADMP Fc1cc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC001222629493 1095700350 /nfs/dbraw/zinc/70/03/50/1095700350.db2.gz JREWPYARLGNZDZ-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP CC(C)Oc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc(F)c1F ZINC001222630019 1095700856 /nfs/dbraw/zinc/70/08/56/1095700856.db2.gz WPDZYLYJQREMJY-OKILXGFUSA-N 2 1 324.415 3.183 20 0 DGADMP CSc1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629192 1095700964 /nfs/dbraw/zinc/70/09/64/1095700964.db2.gz DKXDZUYXKQGMCW-BETUJISGSA-N 2 1 310.894 3.493 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CCN(C)CC1 ZINC001137761310 1095734869 /nfs/dbraw/zinc/73/48/69/1095734869.db2.gz GFDRFHWQTXOGDY-UHFFFAOYSA-N 2 1 312.461 3.177 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1Cl ZINC001276855077 1095811235 /nfs/dbraw/zinc/81/12/35/1095811235.db2.gz KZGMKVQICGODAY-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1Cl ZINC001276855077 1095811259 /nfs/dbraw/zinc/81/12/59/1095811259.db2.gz KZGMKVQICGODAY-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1Cl ZINC001276855077 1095811276 /nfs/dbraw/zinc/81/12/76/1095811276.db2.gz KZGMKVQICGODAY-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC001117748722 1095832315 /nfs/dbraw/zinc/83/23/15/1095832315.db2.gz JPMLVSKXDJCIDN-YJBOKZPZSA-N 2 1 318.461 3.246 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC001117759949 1095838062 /nfs/dbraw/zinc/83/80/62/1095838062.db2.gz HHAQEDYSUAEIJU-FQEVSTJZSA-N 2 1 313.489 3.022 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC001340513661 1095967006 /nfs/dbraw/zinc/96/70/06/1095967006.db2.gz HLONEGDWSMHXIH-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CCCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC001118314933 1095981805 /nfs/dbraw/zinc/98/18/05/1095981805.db2.gz DUURMLMCIMLAPF-VAMGGRTRSA-N 2 1 316.489 3.500 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246834300 1096009511 /nfs/dbraw/zinc/00/95/11/1096009511.db2.gz UEOZMCHFJGDGCE-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP COc1cccc(SCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118569561 1096038648 /nfs/dbraw/zinc/03/86/48/1096038648.db2.gz YELZUFOSZLZUIF-UHFFFAOYSA-N 2 1 320.502 3.253 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc3c(c2)CCC3)[C@@H]2CCC[C@@H]21 ZINC001340981914 1096085669 /nfs/dbraw/zinc/08/56/69/1096085669.db2.gz SHYDTXPEDAIIQQ-UFYCRDLUSA-N 2 1 314.473 3.017 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001171288169 1096120423 /nfs/dbraw/zinc/12/04/23/1096120423.db2.gz JFHCZGHRZPUPJU-KGLIPLIRSA-N 2 1 322.880 3.280 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H](n1c(C)c[nH+]c1CC[NH3+])CC2 ZINC001171293505 1096157094 /nfs/dbraw/zinc/15/70/94/1096157094.db2.gz QYFKBQPFUJQCHQ-GFCCVEGCSA-N 2 1 319.836 3.085 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC1CC[NH+](C)CC1 ZINC001224451564 1096216110 /nfs/dbraw/zinc/21/61/10/1096216110.db2.gz XYTQGQLJPQRYTE-XLIONFOSSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1cccc(N2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)[nH+]1 ZINC001276980999 1096238984 /nfs/dbraw/zinc/23/89/84/1096238984.db2.gz NHEPJZKRFFHDGD-IBGZPJMESA-N 2 1 310.445 3.211 20 0 DGADMP Cc1cccc(N2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)[nH+]1 ZINC001276980999 1096238989 /nfs/dbraw/zinc/23/89/89/1096238989.db2.gz NHEPJZKRFFHDGD-IBGZPJMESA-N 2 1 310.445 3.211 20 0 DGADMP CCCC[NH+](CCCC)CCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224752123 1096278593 /nfs/dbraw/zinc/27/85/93/1096278593.db2.gz BMVGFOXUMYHGHM-UHOSZYNNSA-N 2 1 324.509 3.100 20 0 DGADMP CCCC[NH+](CCCC)CCCOCC[N@H+]1CC[C@@H](OC)C1 ZINC001224755317 1096278667 /nfs/dbraw/zinc/27/86/67/1096278667.db2.gz MJBVXOHKDBNNFU-GOSISDBHSA-N 2 1 314.514 3.016 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)CCC[NH+](C)C)CC2 ZINC001171317783 1096292668 /nfs/dbraw/zinc/29/26/68/1096292668.db2.gz VKIXPGVQMPCWDD-ZDUSSCGKSA-N 2 1 310.869 3.089 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001224832287 1096296302 /nfs/dbraw/zinc/29/63/02/1096296302.db2.gz UWAQWRPNPPCTNM-UYAOXDASSA-N 2 1 314.473 3.009 20 0 DGADMP C[NH+](C)Cc1ccccc1N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277003970 1096301302 /nfs/dbraw/zinc/30/13/02/1096301302.db2.gz KTFXPLBFJOPRKT-IBGZPJMESA-N 2 1 301.478 3.060 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001224931720 1096316871 /nfs/dbraw/zinc/31/68/71/1096316871.db2.gz IUYUQJBAGAHEHK-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C)Cc1ccccc1N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001277007537 1096317591 /nfs/dbraw/zinc/31/75/91/1096317591.db2.gz UJGDZMMFNPMLTI-PMACEKPBSA-N 2 1 313.489 3.344 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCC[NH+](C)C ZINC001224991861 1096330165 /nfs/dbraw/zinc/33/01/65/1096330165.db2.gz CVFXMDUQGOSSTO-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226831136 1096790309 /nfs/dbraw/zinc/79/03/09/1096790309.db2.gz OWHCEVYQZRKMAL-QZTJIDSGSA-N 2 1 323.525 3.068 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171450426 1096875343 /nfs/dbraw/zinc/87/53/43/1096875343.db2.gz VJLBBCVEKASACD-QGZVFWFLSA-N 2 1 316.395 3.283 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171450426 1096875348 /nfs/dbraw/zinc/87/53/48/1096875348.db2.gz VJLBBCVEKASACD-QGZVFWFLSA-N 2 1 316.395 3.283 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(C)c3OC)(C1)CCC2 ZINC001277190789 1096899436 /nfs/dbraw/zinc/89/94/36/1096899436.db2.gz SYVNVRAVYRUWIN-ZWKOTPCHSA-N 2 1 306.425 3.297 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171506184 1096913862 /nfs/dbraw/zinc/91/38/62/1096913862.db2.gz SXPDGAQCODCXST-FQUUOJAGSA-N 2 1 324.390 3.176 20 0 DGADMP CCOc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(Cl)cn1 ZINC001277197467 1096914257 /nfs/dbraw/zinc/91/42/57/1096914257.db2.gz MQBACRZWJXCLRK-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227307673 1096914694 /nfs/dbraw/zinc/91/46/94/1096914694.db2.gz HAMWVKJZMMJWOD-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cccc([C@@H](CO)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171630499 1096930840 /nfs/dbraw/zinc/93/08/40/1096930840.db2.gz PKDDEUQFDBFGSH-QGZVFWFLSA-N 2 1 304.478 3.269 20 0 DGADMP Cc1noc2ccc(C[NH+]3CCC4(CCC[N@H+](C)C4)CC3)cc12 ZINC001277217766 1096947416 /nfs/dbraw/zinc/94/74/16/1096947416.db2.gz SJQRTNQVQCOJNM-UHFFFAOYSA-N 2 1 313.445 3.444 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3cc(O)ccc3C2)CC1(C)C ZINC001171635244 1096948477 /nfs/dbraw/zinc/94/84/77/1096948477.db2.gz RMKBAQYHQFNQHP-UHFFFAOYSA-N 2 1 302.462 3.402 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642995 1096950287 /nfs/dbraw/zinc/95/02/87/1096950287.db2.gz OYCFEKCEGAOYSK-UHFFFAOYSA-N 2 1 318.461 3.499 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642995 1096950291 /nfs/dbraw/zinc/95/02/91/1096950291.db2.gz OYCFEKCEGAOYSK-UHFFFAOYSA-N 2 1 318.461 3.499 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001171727708 1096955152 /nfs/dbraw/zinc/95/51/52/1096955152.db2.gz GBWLGMJNUZLBJT-GTAWCEEGSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171727708 1096955155 /nfs/dbraw/zinc/95/51/55/1096955155.db2.gz GBWLGMJNUZLBJT-GTAWCEEGSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171726818 1096955939 /nfs/dbraw/zinc/95/59/39/1096955939.db2.gz KAMUJPRNPYTYKB-NSISKUIASA-N 2 1 321.468 3.039 20 0 DGADMP CCN(CC[NH+](CC)CC)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171761263 1096964791 /nfs/dbraw/zinc/96/47/91/1096964791.db2.gz CPWKYTHIAKPTLL-QUCCMNQESA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+]1CCC(N(C)[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761872 1096965468 /nfs/dbraw/zinc/96/54/68/1096965468.db2.gz GKIGPRLSCZROHU-XLIONFOSSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCC(N(C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761873 1096965559 /nfs/dbraw/zinc/96/55/59/1096965559.db2.gz GKIGPRLSCZROHU-YLJYHZDGSA-N 2 1 315.505 3.066 20 0 DGADMP CCC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970458 1097019551 /nfs/dbraw/zinc/01/95/51/1097019551.db2.gz CEOIUGKPQGYGRX-ROUUACIJSA-N 2 1 304.478 3.180 20 0 DGADMP CC1(C)C[C@H](n2ccc(C[NH3+])cc2=N)CC[N@H+]1Cc1ccccc1 ZINC001171972304 1097021336 /nfs/dbraw/zinc/02/13/36/1097021336.db2.gz PNAGRQPLJBGREC-GOSISDBHSA-N 2 1 324.472 3.042 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171973340 1097021472 /nfs/dbraw/zinc/02/14/72/1097021472.db2.gz XTPUWYRJNLLSQK-QRVBRYPASA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971818 1097022068 /nfs/dbraw/zinc/02/20/68/1097022068.db2.gz KKNBASAJSORVMW-QGZVFWFLSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978074 1097025812 /nfs/dbraw/zinc/02/58/12/1097025812.db2.gz WLXQNPWBUZUTIZ-WDSOQIARSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978074 1097025817 /nfs/dbraw/zinc/02/58/17/1097025817.db2.gz WLXQNPWBUZUTIZ-WDSOQIARSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978074 1097025823 /nfs/dbraw/zinc/02/58/23/1097025823.db2.gz WLXQNPWBUZUTIZ-WDSOQIARSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978074 1097025835 /nfs/dbraw/zinc/02/58/35/1097025835.db2.gz WLXQNPWBUZUTIZ-WDSOQIARSA-N 2 1 316.489 3.132 20 0 DGADMP CC1(C)C[C@H](n2cc(CC[NH3+])cn2)CC[N@H+]1Cc1ccccc1 ZINC001171983714 1097027541 /nfs/dbraw/zinc/02/75/41/1097027541.db2.gz PQQSIFJQCHSSMJ-GOSISDBHSA-N 2 1 312.461 3.000 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171980386 1097028104 /nfs/dbraw/zinc/02/81/04/1097028104.db2.gz UXFZQEFFZVTYER-SQNIBIBYSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171980386 1097028108 /nfs/dbraw/zinc/02/81/08/1097028108.db2.gz UXFZQEFFZVTYER-SQNIBIBYSA-N 2 1 320.452 3.146 20 0 DGADMP CN([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C[NH3+] ZINC001172073429 1097037472 /nfs/dbraw/zinc/03/74/72/1097037472.db2.gz QOMJBGSNZAXRDV-REPLKXPHSA-N 2 1 315.505 3.241 20 0 DGADMP COCC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080756 1097040210 /nfs/dbraw/zinc/04/02/10/1097040210.db2.gz WMLLBDVUWWHPQX-PMOLBWCYSA-N 2 1 314.473 3.150 20 0 DGADMP CC(C)N(CC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061967 1097042094 /nfs/dbraw/zinc/04/20/94/1097042094.db2.gz KHYLMQMPLBSMBN-PMOLBWCYSA-N 2 1 315.505 3.241 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2CCCOC2)C3)cc1 ZINC001172062312 1097042352 /nfs/dbraw/zinc/04/23/52/1097042352.db2.gz MDMMUPGOJWTFPV-YSTOQKLRSA-N 2 1 314.473 3.341 20 0 DGADMP COC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064082 1097043655 /nfs/dbraw/zinc/04/36/55/1097043655.db2.gz FKWMTGKMUFQFAC-KANFNMMFSA-N 2 1 302.462 3.197 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@H]2CCCO2)C3)cc1 ZINC001172064925 1097043719 /nfs/dbraw/zinc/04/37/19/1097043719.db2.gz IUTOGTFESWHFDA-YSTOQKLRSA-N 2 1 314.473 3.341 20 0 DGADMP O[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064558 1097043803 /nfs/dbraw/zinc/04/38/03/1097043803.db2.gz HHFYLZPLWDVZAD-WKWVNEEDSA-N 2 1 314.473 3.075 20 0 DGADMP CC(C)(CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066179 1097044851 /nfs/dbraw/zinc/04/48/51/1097044851.db2.gz UNSVUZMIZFBHDM-REPLKXPHSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@]1(O)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068819 1097045497 /nfs/dbraw/zinc/04/54/97/1097045497.db2.gz LDOIRHWEIWIYBT-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068819 1097045504 /nfs/dbraw/zinc/04/55/04/1097045504.db2.gz LDOIRHWEIWIYBT-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068819 1097045513 /nfs/dbraw/zinc/04/55/13/1097045513.db2.gz LDOIRHWEIWIYBT-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068819 1097045518 /nfs/dbraw/zinc/04/55/18/1097045518.db2.gz LDOIRHWEIWIYBT-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069423 1097046132 /nfs/dbraw/zinc/04/61/32/1097046132.db2.gz QDPARMLITJXOQE-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069423 1097046137 /nfs/dbraw/zinc/04/61/37/1097046137.db2.gz QDPARMLITJXOQE-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069423 1097046141 /nfs/dbraw/zinc/04/61/41/1097046141.db2.gz QDPARMLITJXOQE-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069423 1097046147 /nfs/dbraw/zinc/04/61/47/1097046147.db2.gz QDPARMLITJXOQE-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069348 1097046759 /nfs/dbraw/zinc/04/67/59/1097046759.db2.gz TXGFFISGCXYMSS-IYWMVGAKSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001172130084 1097048787 /nfs/dbraw/zinc/04/87/87/1097048787.db2.gz HFOOXAUJWYOCKX-LFAQGZIKSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001172130084 1097048793 /nfs/dbraw/zinc/04/87/93/1097048793.db2.gz HFOOXAUJWYOCKX-LFAQGZIKSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001172130084 1097048797 /nfs/dbraw/zinc/04/87/97/1097048797.db2.gz HFOOXAUJWYOCKX-LFAQGZIKSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1C1CCCCC1 ZINC001172132793 1097050626 /nfs/dbraw/zinc/05/06/26/1097050626.db2.gz ODFKTWFCZTWQRT-IJXRJRJASA-N 2 1 319.537 3.341 20 0 DGADMP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C1CCCCC1 ZINC001172132793 1097050633 /nfs/dbraw/zinc/05/06/33/1097050633.db2.gz ODFKTWFCZTWQRT-IJXRJRJASA-N 2 1 319.537 3.341 20 0 DGADMP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C1CCCCC1 ZINC001172132793 1097050637 /nfs/dbraw/zinc/05/06/37/1097050637.db2.gz ODFKTWFCZTWQRT-IJXRJRJASA-N 2 1 319.537 3.341 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1ccccc1Cl)C2 ZINC001172101942 1097053461 /nfs/dbraw/zinc/05/34/61/1097053461.db2.gz IIWMMXMGSGKQIF-QKDCVEJESA-N 2 1 308.853 3.324 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3ccc(F)cc31)C2 ZINC001172108697 1097054456 /nfs/dbraw/zinc/05/44/56/1097054456.db2.gz YJPCYMSNYMWHIS-BJWYYQGGSA-N 2 1 315.436 3.469 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172108848 1097055001 /nfs/dbraw/zinc/05/50/01/1097055001.db2.gz GWGORAJUXBICLX-MKXGPGLRSA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172108848 1097055006 /nfs/dbraw/zinc/05/50/06/1097055006.db2.gz GWGORAJUXBICLX-MKXGPGLRSA-N 2 1 314.473 3.157 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105476 1097055625 /nfs/dbraw/zinc/05/56/25/1097055625.db2.gz HZOSHVGAZNCBED-XMTFNYHQSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105476 1097055632 /nfs/dbraw/zinc/05/56/32/1097055632.db2.gz HZOSHVGAZNCBED-XMTFNYHQSA-N 2 1 322.880 3.368 20 0 DGADMP COc1cccc([C@@H](C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108667 1097055649 /nfs/dbraw/zinc/05/56/49/1097055649.db2.gz CTQMXRIAKRXPAD-LEUOFYLZSA-N 2 1 302.462 3.404 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172111559 1097055967 /nfs/dbraw/zinc/05/59/67/1097055967.db2.gz VJQZHUWYTUQXJJ-YFYLHZKVSA-N 2 1 315.461 3.311 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172111559 1097055972 /nfs/dbraw/zinc/05/59/72/1097055972.db2.gz VJQZHUWYTUQXJJ-YFYLHZKVSA-N 2 1 315.461 3.311 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1F)C1CC1)C2 ZINC001172110064 1097057061 /nfs/dbraw/zinc/05/70/61/1097057061.db2.gz JJKPVSITXMOQCY-PNBKFKSVSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1F)C1CC1)C2 ZINC001172110064 1097057066 /nfs/dbraw/zinc/05/70/66/1097057066.db2.gz JJKPVSITXMOQCY-PNBKFKSVSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCOc1ccccc1)C2 ZINC001172111101 1097057216 /nfs/dbraw/zinc/05/72/16/1097057216.db2.gz RWGHXPBOIMKZQZ-NNZMDNLPSA-N 2 1 302.462 3.451 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(F)cn1)C1CC1)C2 ZINC001172109410 1097057783 /nfs/dbraw/zinc/05/77/83/1097057783.db2.gz CUIYVFTZSQBNOB-XLMAVXFVSA-N 2 1 303.425 3.277 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172113277 1097058741 /nfs/dbraw/zinc/05/87/41/1097058741.db2.gz IDZGQJMUTVHQSO-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172113277 1097058746 /nfs/dbraw/zinc/05/87/46/1097058746.db2.gz IDZGQJMUTVHQSO-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172113277 1097058751 /nfs/dbraw/zinc/05/87/51/1097058751.db2.gz IDZGQJMUTVHQSO-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1(O)CCC1)C2 ZINC001172113344 1097059682 /nfs/dbraw/zinc/05/96/82/1097059682.db2.gz CHJRLCDMMDAXJV-RDGPPVDQSA-N 2 1 314.473 3.248 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@](CF)(C(F)(F)F)C1)C2 ZINC001172122317 1097063337 /nfs/dbraw/zinc/06/33/37/1097063337.db2.gz ZXGCLNSBMUYPBJ-DGAVXFQQSA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@](CF)(C(F)(F)F)C1)C2 ZINC001172122317 1097063339 /nfs/dbraw/zinc/06/33/39/1097063339.db2.gz ZXGCLNSBMUYPBJ-DGAVXFQQSA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@](CF)(C(F)(F)F)C1)C2 ZINC001172122317 1097063346 /nfs/dbraw/zinc/06/33/46/1097063346.db2.gz ZXGCLNSBMUYPBJ-DGAVXFQQSA-N 2 1 308.363 3.226 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCOc1cccc(F)c1)C2 ZINC001172117062 1097064308 /nfs/dbraw/zinc/06/43/08/1097064308.db2.gz KDFSFPCNZPBALM-OSYLJGHBSA-N 2 1 306.425 3.200 20 0 DGADMP COc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Cl)c1O ZINC001172117524 1097064327 /nfs/dbraw/zinc/06/43/27/1097064327.db2.gz MCQGZOOFYSROMZ-BTTYYORXSA-N 2 1 324.852 3.159 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124349 1097066108 /nfs/dbraw/zinc/06/61/08/1097066108.db2.gz KTKCLEYUNLDZKL-YDZRNGNQSA-N 2 1 300.446 3.075 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CSc3ccccc3C2)[C@H](C)C1 ZINC001172194620 1097084701 /nfs/dbraw/zinc/08/47/01/1097084701.db2.gz VRBCRTAEFWLLCS-OIISXLGYSA-N 2 1 304.503 3.412 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235477 1097087729 /nfs/dbraw/zinc/08/77/29/1097087729.db2.gz UJPCOFKKPLTONQ-LJRDSGNISA-N 2 1 312.457 3.245 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2ccc(F)cc2)CC1 ZINC001172244650 1097089508 /nfs/dbraw/zinc/08/95/08/1097089508.db2.gz WKFZDTWGXDIWJK-UHFFFAOYSA-N 2 1 322.468 3.237 20 0 DGADMP CCC1([NH2+]C2CC[NH+](CCCOC)CC2)CCC(F)(F)CC1 ZINC001172248444 1097090138 /nfs/dbraw/zinc/09/01/38/1097090138.db2.gz IAQQEAWFXYDIEL-UHFFFAOYSA-N 2 1 318.452 3.435 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001172254909 1097091387 /nfs/dbraw/zinc/09/13/87/1097091387.db2.gz DEEWIMXNWXWZJS-MRXNPFEDSA-N 2 1 308.491 3.386 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001172254909 1097091392 /nfs/dbraw/zinc/09/13/92/1097091392.db2.gz DEEWIMXNWXWZJS-MRXNPFEDSA-N 2 1 308.491 3.386 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001172255761 1097094312 /nfs/dbraw/zinc/09/43/12/1097094312.db2.gz MZUVPKIMDZQYSF-IBGZPJMESA-N 2 1 316.489 3.052 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001172255761 1097094318 /nfs/dbraw/zinc/09/43/18/1097094318.db2.gz MZUVPKIMDZQYSF-IBGZPJMESA-N 2 1 316.489 3.052 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001172379504 1097113728 /nfs/dbraw/zinc/11/37/28/1097113728.db2.gz UWMVTCOLNLTGBR-HOTGVXAUSA-N 2 1 300.487 3.386 20 0 DGADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001172402943 1097129584 /nfs/dbraw/zinc/12/95/84/1097129584.db2.gz PYWLDHJRVCNUSB-XUVXKRRUSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001172402943 1097129587 /nfs/dbraw/zinc/12/95/87/1097129587.db2.gz PYWLDHJRVCNUSB-XUVXKRRUSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001172402943 1097129589 /nfs/dbraw/zinc/12/95/89/1097129589.db2.gz PYWLDHJRVCNUSB-XUVXKRRUSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@@H](CC(C)C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001172405133 1097130018 /nfs/dbraw/zinc/13/00/18/1097130018.db2.gz SGVVMFKHQGDMAJ-INIZCTEOSA-N 2 1 304.482 3.477 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172409149 1097131598 /nfs/dbraw/zinc/13/15/98/1097131598.db2.gz QRAADXDVAUIROA-IJXRJRJASA-N 2 1 316.489 3.302 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172425898 1097137361 /nfs/dbraw/zinc/13/73/61/1097137361.db2.gz FKLBZTUSLOFIFE-IHPCNDPISA-N 2 1 316.489 3.255 20 0 DGADMP CCOCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172430656 1097139421 /nfs/dbraw/zinc/13/94/21/1097139421.db2.gz JEIWQSXCUORBOR-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172430656 1097139422 /nfs/dbraw/zinc/13/94/22/1097139422.db2.gz JEIWQSXCUORBOR-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172430656 1097139425 /nfs/dbraw/zinc/13/94/25/1097139425.db2.gz JEIWQSXCUORBOR-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)CCOC(C)C)CC2)c1 ZINC001172437368 1097153006 /nfs/dbraw/zinc/15/30/06/1097153006.db2.gz ORQWXAHGQSCKOL-INIZCTEOSA-N 2 1 320.477 3.149 20 0 DGADMP CC(C)C[N@@H+]([C@@H](C)CCC(=O)OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754751 1097230788 /nfs/dbraw/zinc/23/07/88/1097230788.db2.gz YOZGUFMLIAWWBL-ULQDDVLXSA-N 2 1 312.498 3.335 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)CC2 ZINC001172829189 1097250131 /nfs/dbraw/zinc/25/01/31/1097250131.db2.gz BJYIQLSMBPVZJE-HXUWFJFHSA-N 2 1 310.485 3.270 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)CC2 ZINC001172829189 1097250137 /nfs/dbraw/zinc/25/01/37/1097250137.db2.gz BJYIQLSMBPVZJE-HXUWFJFHSA-N 2 1 310.485 3.270 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172874022 1097272366 /nfs/dbraw/zinc/27/23/66/1097272366.db2.gz ZQCAEZNUIWWGCW-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172874022 1097272372 /nfs/dbraw/zinc/27/23/72/1097272372.db2.gz ZQCAEZNUIWWGCW-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172874022 1097272375 /nfs/dbraw/zinc/27/23/75/1097272375.db2.gz ZQCAEZNUIWWGCW-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172874022 1097272382 /nfs/dbraw/zinc/27/23/82/1097272382.db2.gz ZQCAEZNUIWWGCW-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929672 1097284405 /nfs/dbraw/zinc/28/44/05/1097284405.db2.gz OSFLREASVHXQQK-MKXGPGLRSA-N 2 1 317.477 3.111 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206185207 1097307830 /nfs/dbraw/zinc/30/78/30/1097307830.db2.gz LQCOLQJPJKPWRG-RBUKOAKNSA-N 2 1 315.436 3.167 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206185207 1097307835 /nfs/dbraw/zinc/30/78/35/1097307835.db2.gz LQCOLQJPJKPWRG-RBUKOAKNSA-N 2 1 315.436 3.167 20 0 DGADMP c1cn2c([nH+]1)CC[C@@H](Oc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001229449119 1097324023 /nfs/dbraw/zinc/32/40/23/1097324023.db2.gz XUBXYFACQLBPGL-GOSISDBHSA-N 2 1 311.429 3.263 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001173082132 1097326127 /nfs/dbraw/zinc/32/61/27/1097326127.db2.gz JGGJOIWWFAQCKP-TZMCWYRMSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001173082131 1097326557 /nfs/dbraw/zinc/32/65/57/1097326557.db2.gz JGGJOIWWFAQCKP-OCCSQVGLSA-N 2 1 316.367 3.058 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001173108056 1097332252 /nfs/dbraw/zinc/33/22/52/1097332252.db2.gz CUIUUVLYZMHNHR-UGXKVIGPSA-N 3 1 309.542 3.348 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CCN(C(C)C)C[C@H]2C)CC1 ZINC001173108056 1097332258 /nfs/dbraw/zinc/33/22/58/1097332258.db2.gz CUIUUVLYZMHNHR-UGXKVIGPSA-N 2 1 309.542 3.348 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+]2CCOC[C@@H]2c2cccnc2)CC1 ZINC001173113364 1097332692 /nfs/dbraw/zinc/33/26/92/1097332692.db2.gz OEZZVBGSYKWDLA-CTWPCTMYSA-N 2 1 317.477 3.108 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCOC[C@@H]2c2cccnc2)CC1 ZINC001173113364 1097332694 /nfs/dbraw/zinc/33/26/94/1097332694.db2.gz OEZZVBGSYKWDLA-CTWPCTMYSA-N 2 1 317.477 3.108 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccncc3)C2)CC1 ZINC001173113266 1097332821 /nfs/dbraw/zinc/33/28/21/1097332821.db2.gz LZXAOIRXIDVQGD-TVPLGVNVSA-N 2 1 317.477 3.188 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](C)CC(=O)c2ccccc2)CC1 ZINC001173113254 1097333295 /nfs/dbraw/zinc/33/32/95/1097333295.db2.gz LVLGLEOFIVUNKW-UHFFFAOYSA-N 2 1 302.462 3.454 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCC2(CCCCC2)CC1 ZINC001173121227 1097335905 /nfs/dbraw/zinc/33/59/05/1097335905.db2.gz NAJJYRQHPKVJFU-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001173173544 1097355001 /nfs/dbraw/zinc/35/50/01/1097355001.db2.gz LCYAJXSCRJULJY-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001173173544 1097355005 /nfs/dbraw/zinc/35/50/05/1097355005.db2.gz LCYAJXSCRJULJY-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173173544 1097355013 /nfs/dbraw/zinc/35/50/13/1097355013.db2.gz LCYAJXSCRJULJY-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001173174515 1097356017 /nfs/dbraw/zinc/35/60/17/1097356017.db2.gz WWUIUCNDVJKGHD-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001173174515 1097356023 /nfs/dbraw/zinc/35/60/23/1097356023.db2.gz WWUIUCNDVJKGHD-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001173174515 1097356026 /nfs/dbraw/zinc/35/60/26/1097356026.db2.gz WWUIUCNDVJKGHD-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC001229641194 1097357415 /nfs/dbraw/zinc/35/74/15/1097357415.db2.gz CXVDSYWYERTVAQ-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202250 1097361667 /nfs/dbraw/zinc/36/16/67/1097361667.db2.gz PBIAGGSBDQYXGH-JVDULTGUSA-N 2 1 302.462 3.306 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202250 1097361671 /nfs/dbraw/zinc/36/16/71/1097361671.db2.gz PBIAGGSBDQYXGH-JVDULTGUSA-N 2 1 302.462 3.306 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001173266031 1097389950 /nfs/dbraw/zinc/38/99/50/1097389950.db2.gz XRBHSRDJUPBJFJ-VQIMIIECSA-N 2 1 302.462 3.187 20 0 DGADMP CCSC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173303426 1097404760 /nfs/dbraw/zinc/40/47/60/1097404760.db2.gz HXYBMURGDKULIT-CABCVRRESA-N 2 1 314.539 3.140 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)[C@H](C)C1 ZINC001173479664 1097446516 /nfs/dbraw/zinc/44/65/16/1097446516.db2.gz KPWSBUQEIOSUPK-XIKOKIGWSA-N 2 1 308.416 3.140 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001173454505 1097451277 /nfs/dbraw/zinc/45/12/77/1097451277.db2.gz FGYYERQXJWRAPX-INIZCTEOSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173622618 1097473446 /nfs/dbraw/zinc/47/34/46/1097473446.db2.gz MDINKUFEFBNYRN-XDNAFOTISA-N 2 1 324.509 3.066 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633868 1097480845 /nfs/dbraw/zinc/48/08/45/1097480845.db2.gz MYZPLNOGZGYTMU-XSLAGTTESA-N 2 1 322.493 3.090 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)CC[C@H]1F ZINC001206209413 1097492314 /nfs/dbraw/zinc/49/23/14/1097492314.db2.gz FFEGATTWEZPGIX-KGLIPLIRSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)CC[C@H]1F ZINC001206209413 1097492317 /nfs/dbraw/zinc/49/23/17/1097492317.db2.gz FFEGATTWEZPGIX-KGLIPLIRSA-N 2 1 305.422 3.071 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2cnccc12 ZINC001231521000 1097771120 /nfs/dbraw/zinc/77/11/20/1097771120.db2.gz FVRAIASNSYLPJY-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cnccc12 ZINC001231521000 1097771126 /nfs/dbraw/zinc/77/11/26/1097771126.db2.gz FVRAIASNSYLPJY-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cnccc12 ZINC001231521000 1097771129 /nfs/dbraw/zinc/77/11/29/1097771129.db2.gz FVRAIASNSYLPJY-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2cnccc12 ZINC001231520995 1097771515 /nfs/dbraw/zinc/77/15/15/1097771515.db2.gz FVRAIASNSYLPJY-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cnccc12 ZINC001231520995 1097771518 /nfs/dbraw/zinc/77/15/18/1097771518.db2.gz FVRAIASNSYLPJY-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2cnccc12 ZINC001231520995 1097771522 /nfs/dbraw/zinc/77/15/22/1097771522.db2.gz FVRAIASNSYLPJY-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP CCc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001231641685 1097798625 /nfs/dbraw/zinc/79/86/25/1097798625.db2.gz IAMCRHNFTYRUSO-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001231641685 1097798631 /nfs/dbraw/zinc/79/86/31/1097798631.db2.gz IAMCRHNFTYRUSO-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)nc1 ZINC001231641685 1097798638 /nfs/dbraw/zinc/79/86/38/1097798638.db2.gz IAMCRHNFTYRUSO-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)nc1 ZINC001231641685 1097798642 /nfs/dbraw/zinc/79/86/42/1097798642.db2.gz IAMCRHNFTYRUSO-RBUKOAKNSA-N 2 1 301.478 3.483 20 0 DGADMP CCOc1ccc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001231657638 1097805095 /nfs/dbraw/zinc/80/50/95/1097805095.db2.gz PDXGXWHNTZFQBR-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001231657638 1097805100 /nfs/dbraw/zinc/80/51/00/1097805100.db2.gz PDXGXWHNTZFQBR-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001231657638 1097805105 /nfs/dbraw/zinc/80/51/05/1097805105.db2.gz PDXGXWHNTZFQBR-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001231657638 1097805112 /nfs/dbraw/zinc/80/51/12/1097805112.db2.gz PDXGXWHNTZFQBR-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001231657638 1097805117 /nfs/dbraw/zinc/80/51/17/1097805117.db2.gz PDXGXWHNTZFQBR-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863225 1097871717 /nfs/dbraw/zinc/87/17/17/1097871717.db2.gz JUKDMSHFTTZNRK-QGZVFWFLSA-N 2 1 312.885 3.111 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863225 1097871721 /nfs/dbraw/zinc/87/17/21/1097871721.db2.gz JUKDMSHFTTZNRK-QGZVFWFLSA-N 2 1 312.885 3.111 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863225 1097871726 /nfs/dbraw/zinc/87/17/26/1097871726.db2.gz JUKDMSHFTTZNRK-QGZVFWFLSA-N 2 1 312.885 3.111 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)CC(C)C ZINC001174863225 1097871732 /nfs/dbraw/zinc/87/17/32/1097871732.db2.gz JUKDMSHFTTZNRK-QGZVFWFLSA-N 2 1 312.885 3.111 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979024 1097906918 /nfs/dbraw/zinc/90/69/18/1097906918.db2.gz OPAQINCFMDXNTQ-SFHVURJKSA-N 2 1 315.848 3.416 20 0 DGADMP Cc1cc(F)ncc1C[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001231986274 1097908754 /nfs/dbraw/zinc/90/87/54/1097908754.db2.gz IXZVFLYNKMPMLU-UHFFFAOYSA-N 2 1 305.441 3.368 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)cnc2F)CC1 ZINC001231993816 1097910666 /nfs/dbraw/zinc/91/06/66/1097910666.db2.gz XQUIXZBUXXPUEP-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cnc2F)CC1 ZINC001231993816 1097910669 /nfs/dbraw/zinc/91/06/69/1097910669.db2.gz XQUIXZBUXXPUEP-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014237 1097917885 /nfs/dbraw/zinc/91/78/85/1097917885.db2.gz LUSDTCMJLDADRL-INIZCTEOSA-N 2 1 320.440 3.269 20 0 DGADMP COc1ccc(C[N@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c(OC)c1 ZINC001232015074 1097918694 /nfs/dbraw/zinc/91/86/94/1097918694.db2.gz AFYSUEHANRWCOC-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c(OC)c1 ZINC001232015074 1097918697 /nfs/dbraw/zinc/91/86/97/1097918697.db2.gz AFYSUEHANRWCOC-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146054 1097949230 /nfs/dbraw/zinc/94/92/30/1097949230.db2.gz HJBSKBKFWGLXBC-QGZVFWFLSA-N 2 1 308.441 3.277 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c(C)n1 ZINC001232335871 1098006539 /nfs/dbraw/zinc/00/65/39/1098006539.db2.gz BGQNPXOXGGOXRT-UHFFFAOYSA-N 2 1 322.412 3.216 20 0 DGADMP COc1ccc(CN(C)Cc2ccc(-n3ccnc3)cc2)c(C)n1 ZINC001232335871 1098006541 /nfs/dbraw/zinc/00/65/41/1098006541.db2.gz BGQNPXOXGGOXRT-UHFFFAOYSA-N 2 1 322.412 3.216 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2)CC1 ZINC001175351384 1098020693 /nfs/dbraw/zinc/02/06/93/1098020693.db2.gz LLEBHWRPFRPBTF-VQTJNVASSA-N 2 1 316.489 3.306 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC[C@@H]2COC(C)(C)O2)CC1 ZINC001175352500 1098022526 /nfs/dbraw/zinc/02/25/26/1098022526.db2.gz PRTMMAKITORLBR-ZWKOTPCHSA-N 2 1 324.509 3.114 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC001232395368 1098025459 /nfs/dbraw/zinc/02/54/59/1098025459.db2.gz UQVXQRPRLKOCLW-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC001232395368 1098025464 /nfs/dbraw/zinc/02/54/64/1098025464.db2.gz UQVXQRPRLKOCLW-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1OC(C)C ZINC001232395368 1098025469 /nfs/dbraw/zinc/02/54/69/1098025469.db2.gz UQVXQRPRLKOCLW-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1OC(C)C ZINC001232395368 1098025475 /nfs/dbraw/zinc/02/54/75/1098025475.db2.gz UQVXQRPRLKOCLW-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC001232395369 1098026366 /nfs/dbraw/zinc/02/63/66/1098026366.db2.gz UQVXQRPRLKOCLW-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC001232395369 1098026368 /nfs/dbraw/zinc/02/63/68/1098026368.db2.gz UQVXQRPRLKOCLW-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1OC(C)C ZINC001232395369 1098026371 /nfs/dbraw/zinc/02/63/71/1098026371.db2.gz UQVXQRPRLKOCLW-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1OC(C)C ZINC001232395369 1098026374 /nfs/dbraw/zinc/02/63/74/1098026374.db2.gz UQVXQRPRLKOCLW-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001232463438 1098044192 /nfs/dbraw/zinc/04/41/92/1098044192.db2.gz IKRSLECAJNJFBF-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP Cc1nc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC001232463438 1098044197 /nfs/dbraw/zinc/04/41/97/1098044197.db2.gz IKRSLECAJNJFBF-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP Cc1nc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC001232463438 1098044201 /nfs/dbraw/zinc/04/42/01/1098044201.db2.gz IKRSLECAJNJFBF-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP CC(C)C[N@H+](Cc1ccc2nonc2c1)CC1CC[NH+](C)CC1 ZINC001175601939 1098094326 /nfs/dbraw/zinc/09/43/26/1098094326.db2.gz ZBLXBPZAPOBRHJ-UHFFFAOYSA-N 2 1 316.449 3.023 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4ncsc43)C[C@@H]2C1 ZINC001232735848 1098123253 /nfs/dbraw/zinc/12/32/53/1098123253.db2.gz AIWOXWAOGOPKLC-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ncsc43)C[C@@H]2C1 ZINC001232735848 1098123258 /nfs/dbraw/zinc/12/32/58/1098123258.db2.gz AIWOXWAOGOPKLC-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ncsc43)C[C@@H]2C1 ZINC001232735848 1098123259 /nfs/dbraw/zinc/12/32/59/1098123259.db2.gz AIWOXWAOGOPKLC-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ncsc43)C[C@@H]2C1 ZINC001232735848 1098123263 /nfs/dbraw/zinc/12/32/63/1098123263.db2.gz AIWOXWAOGOPKLC-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC ZINC001175738846 1098151546 /nfs/dbraw/zinc/15/15/46/1098151546.db2.gz NEZKNAVCZLZZBJ-KRWDZBQOSA-N 2 1 313.530 3.173 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176022548 1098235055 /nfs/dbraw/zinc/23/50/55/1098235055.db2.gz BPCZVIUQEGDCDW-MRXNPFEDSA-N 2 1 313.530 3.029 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277769650 1098238487 /nfs/dbraw/zinc/23/84/87/1098238487.db2.gz NHVCITOTHVQVPO-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1c(F)cccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277769650 1098238491 /nfs/dbraw/zinc/23/84/91/1098238491.db2.gz NHVCITOTHVQVPO-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1c(F)cccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277769650 1098238495 /nfs/dbraw/zinc/23/84/95/1098238495.db2.gz NHVCITOTHVQVPO-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176284405 1098299938 /nfs/dbraw/zinc/29/99/38/1098299938.db2.gz FYYOPKVFZFBLLB-QGZVFWFLSA-N 2 1 313.530 3.173 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccsc1Br)CC2 ZINC001233482054 1098346342 /nfs/dbraw/zinc/34/63/42/1098346342.db2.gz WHCFGQKSQGVIJV-UHFFFAOYSA-N 2 1 315.280 3.038 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]ccn2c1 ZINC001233754641 1098422520 /nfs/dbraw/zinc/42/25/20/1098422520.db2.gz KWZUNQOPUGHQEF-YJBOKZPZSA-N 2 1 307.397 3.234 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]ccn2c1 ZINC001233754641 1098422522 /nfs/dbraw/zinc/42/25/22/1098422522.db2.gz KWZUNQOPUGHQEF-YJBOKZPZSA-N 2 1 307.397 3.234 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ccc3nccn3c2)C1 ZINC001233755821 1098423192 /nfs/dbraw/zinc/42/31/92/1098423192.db2.gz URYPERKNPKGQGR-HOTGVXAUSA-N 2 1 322.412 3.334 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ccc3nccn3c2)C1 ZINC001233755815 1098423345 /nfs/dbraw/zinc/42/33/45/1098423345.db2.gz URYPERKNPKGQGR-CVEARBPZSA-N 2 1 322.412 3.334 20 0 DGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754118 1098434431 /nfs/dbraw/zinc/43/44/31/1098434431.db2.gz QWNQXEIXCOZWFJ-INIZCTEOSA-N 2 1 313.530 3.027 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CCCC(C)C)CC1 ZINC001177294129 1098505301 /nfs/dbraw/zinc/50/53/01/1098505301.db2.gz GGXBGZSLCQFSOE-UHFFFAOYSA-N 2 1 317.521 3.350 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206309087 1098577134 /nfs/dbraw/zinc/57/71/34/1098577134.db2.gz KNVICWVOSVALLJ-MRXNPFEDSA-N 2 1 308.853 3.027 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2)[C@H]1c1cccs1 ZINC001177913358 1098646427 /nfs/dbraw/zinc/64/64/27/1098646427.db2.gz WYUFNCHQZNHPNH-WBVHZDCISA-N 2 1 301.459 3.316 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2)[C@H]1c1cccs1 ZINC001177913358 1098646432 /nfs/dbraw/zinc/64/64/32/1098646432.db2.gz WYUFNCHQZNHPNH-WBVHZDCISA-N 2 1 301.459 3.316 20 0 DGADMP CCCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001277883339 1098655768 /nfs/dbraw/zinc/65/57/68/1098655768.db2.gz GADPNSKSLTWWKE-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1cc(-c2ccccn2)n[nH]1)C(C)C ZINC001177948367 1098666087 /nfs/dbraw/zinc/66/60/87/1098666087.db2.gz HVRGEZKNRAHPGL-UHFFFAOYSA-N 2 1 315.465 3.070 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c1 ZINC001206311089 1098669055 /nfs/dbraw/zinc/66/90/55/1098669055.db2.gz IMCLOFOIFWOPFJ-QGZVFWFLSA-N 2 1 312.404 3.314 20 0 DGADMP c1cc(C2CCCCC2)ccc1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234973173 1098730913 /nfs/dbraw/zinc/73/09/13/1098730913.db2.gz GNPIWWQMMHJFBR-WOJBJXKFSA-N 2 1 314.473 3.155 20 0 DGADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234973173 1098730923 /nfs/dbraw/zinc/73/09/23/1098730923.db2.gz GNPIWWQMMHJFBR-WOJBJXKFSA-N 2 1 314.473 3.155 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OCc2ccccc2)c1 ZINC001234977843 1098732307 /nfs/dbraw/zinc/73/23/07/1098732307.db2.gz BWAUSNPAJSNVFU-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OCc2ccccc2)c1 ZINC001234977843 1098732316 /nfs/dbraw/zinc/73/23/16/1098732316.db2.gz BWAUSNPAJSNVFU-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Clc1ccc2[nH]c(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC001234992503 1098736212 /nfs/dbraw/zinc/73/62/12/1098736212.db2.gz JXMACZDTXFYTDX-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC001234992503 1098736216 /nfs/dbraw/zinc/73/62/16/1098736216.db2.gz JXMACZDTXFYTDX-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234997670 1098741720 /nfs/dbraw/zinc/74/17/20/1098741720.db2.gz DHXVFPFBFRZUOM-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234997670 1098741730 /nfs/dbraw/zinc/74/17/30/1098741730.db2.gz DHXVFPFBFRZUOM-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC1=CC[C@H](CC[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001235006609 1098747554 /nfs/dbraw/zinc/74/75/54/1098747554.db2.gz JIFZNVYXPQVPPW-IEBWSBKVSA-N 2 1 306.494 3.071 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235019075 1098753580 /nfs/dbraw/zinc/75/35/80/1098753580.db2.gz ZGHBFTSIQWWVBI-CEXWTWQISA-N 2 1 320.521 3.338 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235019075 1098753588 /nfs/dbraw/zinc/75/35/88/1098753588.db2.gz ZGHBFTSIQWWVBI-CEXWTWQISA-N 2 1 320.521 3.338 20 0 DGADMP Cc1cc(C[N@@H+]2CCC3(C[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235025344 1098757654 /nfs/dbraw/zinc/75/76/54/1098757654.db2.gz ZWUDDSVSLOPTMS-UHFFFAOYSA-N 2 1 322.452 3.369 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235025344 1098757664 /nfs/dbraw/zinc/75/76/64/1098757664.db2.gz ZWUDDSVSLOPTMS-UHFFFAOYSA-N 2 1 322.452 3.369 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235039192 1098766548 /nfs/dbraw/zinc/76/65/48/1098766548.db2.gz VFVJMXCHCKPHER-NHCUHLMSSA-N 2 1 322.452 3.164 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235039743 1098767651 /nfs/dbraw/zinc/76/76/51/1098767651.db2.gz HZRJMACHFHIBHS-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235043730 1098771613 /nfs/dbraw/zinc/77/16/13/1098771613.db2.gz GVDRJIINBYLMIV-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001235090697 1098793043 /nfs/dbraw/zinc/79/30/43/1098793043.db2.gz SKMDCAGGBDLYAN-QGZVFWFLSA-N 2 1 308.416 3.460 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093818 1098796059 /nfs/dbraw/zinc/79/60/59/1098796059.db2.gz QTXLZTLEOYNKNS-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235095469 1098797496 /nfs/dbraw/zinc/79/74/96/1098797496.db2.gz QWZKETOMSPIGIK-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP Fc1c(Cl)ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235094485 1098798789 /nfs/dbraw/zinc/79/87/89/1098798789.db2.gz XTTBMBMCSFYOCI-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1c(Cl)ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235094485 1098798797 /nfs/dbraw/zinc/79/87/97/1098798797.db2.gz XTTBMBMCSFYOCI-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Cc1cc(C[N@@H+]2CCC23CC[NH2+]CC3)cc(OC(F)(F)F)c1 ZINC001235103617 1098803232 /nfs/dbraw/zinc/80/32/32/1098803232.db2.gz VOKLTPXOIVMUKO-UHFFFAOYSA-N 2 1 314.351 3.222 20 0 DGADMP Cc1cc(C[N@H+]2CCC23CC[NH2+]CC3)cc(OC(F)(F)F)c1 ZINC001235103617 1098803242 /nfs/dbraw/zinc/80/32/42/1098803242.db2.gz VOKLTPXOIVMUKO-UHFFFAOYSA-N 2 1 314.351 3.222 20 0 DGADMP Fc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1F ZINC001235102971 1098803324 /nfs/dbraw/zinc/80/33/24/1098803324.db2.gz BGSMZZNDWHCPIY-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110073 1098810053 /nfs/dbraw/zinc/81/00/53/1098810053.db2.gz IFEKFRRSRKGZJE-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110073 1098810068 /nfs/dbraw/zinc/81/00/68/1098810068.db2.gz IFEKFRRSRKGZJE-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235140704 1098832207 /nfs/dbraw/zinc/83/22/07/1098832207.db2.gz KPBDDPGHDBECSR-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235140704 1098832215 /nfs/dbraw/zinc/83/22/15/1098832215.db2.gz KPBDDPGHDBECSR-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1C ZINC001235145952 1098834904 /nfs/dbraw/zinc/83/49/04/1098834904.db2.gz ZGJNSKDOYCKGQE-UHFFFAOYSA-N 2 1 317.477 3.287 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1C ZINC001235145952 1098834917 /nfs/dbraw/zinc/83/49/17/1098834917.db2.gz ZGJNSKDOYCKGQE-UHFFFAOYSA-N 2 1 317.477 3.287 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155071 1098839521 /nfs/dbraw/zinc/83/95/21/1098839521.db2.gz NDXFBZLLSBUILO-QGZVFWFLSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235161615 1098846397 /nfs/dbraw/zinc/84/63/97/1098846397.db2.gz UBGRQCRTAQXZNN-INIZCTEOSA-N 2 1 306.425 3.188 20 0 DGADMP COc1ccc(F)c(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235162400 1098846830 /nfs/dbraw/zinc/84/68/30/1098846830.db2.gz VCIYCZCYPNUGRX-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235161719 1098847160 /nfs/dbraw/zinc/84/71/60/1098847160.db2.gz UPKXQAPAFXXFQL-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235186762 1098862850 /nfs/dbraw/zinc/86/28/50/1098862850.db2.gz KQBHKEPOECVUGN-CABCVRRESA-N 2 1 312.379 3.179 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186917 1098863334 /nfs/dbraw/zinc/86/33/34/1098863334.db2.gz PAOLWGOWYXPTEU-CABCVRRESA-N 2 1 312.379 3.179 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4F)cc3)C[C@H]21 ZINC001235210939 1098882696 /nfs/dbraw/zinc/88/26/96/1098882696.db2.gz QYSHPQLEHDLNEY-VQFNDLOPSA-N 2 1 300.352 3.021 20 0 DGADMP Cc1ccc([C@@H](C)CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)o1 ZINC001235224897 1098894264 /nfs/dbraw/zinc/89/42/64/1098894264.db2.gz PDGYMSKBJXNDHN-WHOFXGATSA-N 2 1 316.367 3.165 20 0 DGADMP Cc1ccc([C@@H](C)CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)o1 ZINC001235224897 1098894278 /nfs/dbraw/zinc/89/42/78/1098894278.db2.gz PDGYMSKBJXNDHN-WHOFXGATSA-N 2 1 316.367 3.165 20 0 DGADMP c1c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235226029 1098900136 /nfs/dbraw/zinc/90/01/36/1098900136.db2.gz XAYOAYILENNTOD-RDJZCZTQSA-N 2 1 309.457 3.367 20 0 DGADMP CCc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001235252684 1098924068 /nfs/dbraw/zinc/92/40/68/1098924068.db2.gz DEMRNOHRNFAOMQ-IBGZPJMESA-N 2 1 301.478 3.484 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001235252684 1098924076 /nfs/dbraw/zinc/92/40/76/1098924076.db2.gz DEMRNOHRNFAOMQ-IBGZPJMESA-N 2 1 301.478 3.484 20 0 DGADMP CCc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001235256676 1098929270 /nfs/dbraw/zinc/92/92/70/1098929270.db2.gz BAVLWVVZFDVOGZ-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001235256676 1098929282 /nfs/dbraw/zinc/92/92/82/1098929282.db2.gz BAVLWVVZFDVOGZ-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP CCc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001235256676 1098929290 /nfs/dbraw/zinc/92/92/90/1098929290.db2.gz BAVLWVVZFDVOGZ-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP CCc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001235256676 1098929300 /nfs/dbraw/zinc/92/93/00/1098929300.db2.gz BAVLWVVZFDVOGZ-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265707 1098937766 /nfs/dbraw/zinc/93/77/66/1098937766.db2.gz DNCFBPYAMDJUMS-DZGCQCFKSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265707 1098937780 /nfs/dbraw/zinc/93/77/80/1098937780.db2.gz DNCFBPYAMDJUMS-DZGCQCFKSA-N 2 1 314.351 3.077 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001235273293 1098940138 /nfs/dbraw/zinc/94/01/38/1098940138.db2.gz RFLGCCPQEBNVAE-QUCCMNQESA-N 2 1 309.457 3.090 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc(C)c1OCc1ccccc1 ZINC001235283165 1098942811 /nfs/dbraw/zinc/94/28/11/1098942811.db2.gz DJZUPAVDMGDWMZ-ACDBMABISA-N 2 1 322.452 3.271 20 0 DGADMP Fc1c(C[NH+]2CCC(C3C[NH2+]C3)CC2)cccc1C(F)(F)F ZINC001235336445 1098960613 /nfs/dbraw/zinc/96/06/13/1098960613.db2.gz YEDGXQDAINANRX-UHFFFAOYSA-N 2 1 316.342 3.276 20 0 DGADMP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235334173 1098960879 /nfs/dbraw/zinc/96/08/79/1098960879.db2.gz ASETZMIOUVMIMD-UHFFFAOYSA-N 2 1 316.342 3.276 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)ccc21 ZINC001235338576 1098961914 /nfs/dbraw/zinc/96/19/14/1098961914.db2.gz BGRGJQKXLQGANJ-MRXNPFEDSA-N 2 1 319.452 3.373 20 0 DGADMP Fc1cc(Cl)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235340580 1098964044 /nfs/dbraw/zinc/96/40/44/1098964044.db2.gz KSCHDOPBPGQEOP-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)ccc1-2 ZINC001235340512 1098965240 /nfs/dbraw/zinc/96/52/40/1098965240.db2.gz KHTNHIDQNGGENZ-KRWDZBQOSA-N 2 1 304.437 3.299 20 0 DGADMP FC(F)(F)c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341597 1098965255 /nfs/dbraw/zinc/96/52/55/1098965255.db2.gz RFEOBPKYFJFAMB-SNVBAGLBSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342467 1098966654 /nfs/dbraw/zinc/96/66/54/1098966654.db2.gz WCMAETGDNIJPFY-SNVBAGLBSA-N 2 1 318.770 3.400 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc(C)c1Br ZINC001235342510 1098967272 /nfs/dbraw/zinc/96/72/72/1098967272.db2.gz WINROCFYUVNOLF-CQSZACIVSA-N 2 1 323.278 3.107 20 0 DGADMP CS[C@H](C)CC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348113 1098970526 /nfs/dbraw/zinc/97/05/26/1098970526.db2.gz AGAXTBUNERSQSP-KBAYOESNSA-N 2 1 304.503 3.207 20 0 DGADMP Fc1ccc2nc(C[NH2+]Cc3ccc4c[nH+]cn4c3)sc2c1 ZINC001178916746 1098970532 /nfs/dbraw/zinc/97/05/32/1098970532.db2.gz OVXFDLRMPYFFJH-UHFFFAOYSA-N 2 1 312.373 3.373 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001235358811 1098977887 /nfs/dbraw/zinc/97/78/87/1098977887.db2.gz WIBCCWLYYVPGAW-NHCUHLMSSA-N 2 1 321.468 3.223 20 0 DGADMP CCc1cccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001235358811 1098977892 /nfs/dbraw/zinc/97/78/92/1098977892.db2.gz WIBCCWLYYVPGAW-NHCUHLMSSA-N 2 1 321.468 3.223 20 0 DGADMP CS[C@H](C)CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368383 1098984110 /nfs/dbraw/zinc/98/41/10/1098984110.db2.gz WBYFUNFEPHAWHD-QRQLOZEOSA-N 2 1 318.530 3.381 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377872 1098987381 /nfs/dbraw/zinc/98/73/81/1098987381.db2.gz FJXLQRBFLRSRCU-YNWKUBOOSA-N 2 1 308.469 3.278 20 0 DGADMP [NH3+]C1([C@@H]2C[N@@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2CF)CC1 ZINC001235396423 1098993679 /nfs/dbraw/zinc/99/36/79/1098993679.db2.gz JQLKQJGNLUPRKA-WCQYABFASA-N 2 1 321.827 3.330 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001235401888 1098996680 /nfs/dbraw/zinc/99/66/80/1098996680.db2.gz IFZJLAMKHTWMFC-IAGOWNOFSA-N 2 1 310.844 3.296 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400656 1098996815 /nfs/dbraw/zinc/99/68/15/1098996815.db2.gz FDFMSJXBRMBYHW-SJORKVTESA-N 2 1 304.434 3.425 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400656 1098996818 /nfs/dbraw/zinc/99/68/18/1098996818.db2.gz FDFMSJXBRMBYHW-SJORKVTESA-N 2 1 304.434 3.425 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401490 1098997447 /nfs/dbraw/zinc/99/74/47/1098997447.db2.gz HBRAWVCOSREUQF-QZTJIDSGSA-N 2 1 319.399 3.139 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401490 1098997457 /nfs/dbraw/zinc/99/74/57/1098997457.db2.gz HBRAWVCOSREUQF-QZTJIDSGSA-N 2 1 319.399 3.139 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401876 1098998043 /nfs/dbraw/zinc/99/80/43/1098998043.db2.gz IDDRTPVWVFZREF-RTBURBONSA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401876 1098998049 /nfs/dbraw/zinc/99/80/49/1098998049.db2.gz IDDRTPVWVFZREF-RTBURBONSA-N 2 1 320.452 3.389 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401024 1098998096 /nfs/dbraw/zinc/99/80/96/1098998096.db2.gz FRLIYBSENKWERG-RBUKOAKNSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401024 1098998103 /nfs/dbraw/zinc/99/81/03/1098998103.db2.gz FRLIYBSENKWERG-RBUKOAKNSA-N 2 1 320.452 3.306 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001235403722 1098998911 /nfs/dbraw/zinc/99/89/11/1098998911.db2.gz LDOSULFBYBRWTA-IRXDYDNUSA-N 2 1 321.827 3.345 20 0 DGADMP CCc1cccc2c(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)c[nH]c21 ZINC001235404036 1099001682 /nfs/dbraw/zinc/00/16/82/1099001682.db2.gz MAIYWGCFDQZTTC-PKOBYXMFSA-N 2 1 315.436 3.254 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001235409177 1099004303 /nfs/dbraw/zinc/00/43/03/1099004303.db2.gz VNPMMQBVMBLDQK-MOPGFXCFSA-N 2 1 302.437 3.478 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235409994 1099006849 /nfs/dbraw/zinc/00/68/49/1099006849.db2.gz WVFJTTNOKVMBJI-MOPGFXCFSA-N 2 1 302.437 3.089 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001179067278 1099009830 /nfs/dbraw/zinc/00/98/30/1099009830.db2.gz PKEOOUCQEGIODJ-IBGZPJMESA-N 2 1 304.478 3.137 20 0 DGADMP Fc1cccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235422286 1099013467 /nfs/dbraw/zinc/01/34/67/1099013467.db2.gz BCFDAAJUFXATHI-QZTJIDSGSA-N 2 1 304.453 3.470 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235421906 1099014744 /nfs/dbraw/zinc/01/47/44/1099014744.db2.gz CMTKZRNHZUNQMU-HUUCEWRRSA-N 2 1 324.415 3.185 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235422610 1099014786 /nfs/dbraw/zinc/01/47/86/1099014786.db2.gz DFCOENQSCRKUPH-HUUCEWRRSA-N 2 1 324.415 3.185 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CCCN2 ZINC001235423946 1099016167 /nfs/dbraw/zinc/01/61/67/1099016167.db2.gz HNMBSAZTYYICGH-RBUKOAKNSA-N 2 1 313.489 3.256 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424032 1099016932 /nfs/dbraw/zinc/01/69/32/1099016932.db2.gz IYCKMELZWSIYHH-CABCVRRESA-N 2 1 306.425 3.046 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235426977 1099020090 /nfs/dbraw/zinc/02/00/90/1099020090.db2.gz MCYJHZMNFHRTLL-IRXDYDNUSA-N 2 1 320.452 3.436 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235429111 1099021146 /nfs/dbraw/zinc/02/11/46/1099021146.db2.gz XFZTVJSDHJVGLL-OLZOCXBDSA-N 2 1 312.379 3.316 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429505 1099022660 /nfs/dbraw/zinc/02/26/60/1099022660.db2.gz YTJNDOOELFPOJA-OLZOCXBDSA-N 2 1 312.379 3.316 20 0 DGADMP COc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429836 1099025500 /nfs/dbraw/zinc/02/55/00/1099025500.db2.gz RPFJWINTPBFJPH-HUUCEWRRSA-N 2 1 306.425 3.046 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235429776 1099025555 /nfs/dbraw/zinc/02/55/55/1099025555.db2.gz RJSINGHVWFFGLQ-OLZOCXBDSA-N 2 1 312.379 3.316 20 0 DGADMP Cc1c(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430003 1099026029 /nfs/dbraw/zinc/02/60/29/1099026029.db2.gz VOQVKZMUTRHQKC-HOTGVXAUSA-N 2 1 308.416 3.485 20 0 DGADMP Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235431038 1099026992 /nfs/dbraw/zinc/02/69/92/1099026992.db2.gz UCWXQNHMXZUTOH-HUUCEWRRSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235433512 1099030892 /nfs/dbraw/zinc/03/08/92/1099030892.db2.gz KTJNVAZFQBLIJO-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433423 1099030924 /nfs/dbraw/zinc/03/09/24/1099030924.db2.gz HNCPREUNROCBMI-UHFFFAOYSA-N 2 1 300.368 3.445 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1ccc(F)cc1OCc1ccccc1 ZINC001235435808 1099033909 /nfs/dbraw/zinc/03/39/09/1099033909.db2.gz ZPDAKBNULZUVGF-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)cc1OCc1ccccc1 ZINC001235435808 1099033920 /nfs/dbraw/zinc/03/39/20/1099033920.db2.gz ZPDAKBNULZUVGF-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP COc1c(C[N@H+](C)CCC[NH3+])cccc1OCc1ccccc1 ZINC001235443676 1099037253 /nfs/dbraw/zinc/03/72/53/1099037253.db2.gz PALOBVYKGTWMKQ-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1c(C[N@@H+](C)CCC[NH3+])cccc1OCc1ccccc1 ZINC001235443676 1099037264 /nfs/dbraw/zinc/03/72/64/1099037264.db2.gz PALOBVYKGTWMKQ-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1ccccc1Oc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC001235446611 1099038810 /nfs/dbraw/zinc/03/88/10/1099038810.db2.gz ZEZQEOVHORDSDF-UHFFFAOYSA-N 2 1 300.402 3.268 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235466597 1099052220 /nfs/dbraw/zinc/05/22/20/1099052220.db2.gz PILXGHIVBHKVNE-UHFFFAOYSA-N 2 1 322.758 3.422 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235466597 1099052232 /nfs/dbraw/zinc/05/22/32/1099052232.db2.gz PILXGHIVBHKVNE-UHFFFAOYSA-N 2 1 322.758 3.422 20 0 DGADMP Cc1c(F)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235465077 1099052642 /nfs/dbraw/zinc/05/26/42/1099052642.db2.gz GKFQKBZMSVHOML-UHFFFAOYSA-N 2 1 315.230 3.080 20 0 DGADMP Cc1c(F)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235465077 1099052654 /nfs/dbraw/zinc/05/26/54/1099052654.db2.gz GKFQKBZMSVHOML-UHFFFAOYSA-N 2 1 315.230 3.080 20 0 DGADMP CCCC[N@@H+](CCC)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235662473 1099110970 /nfs/dbraw/zinc/11/09/70/1099110970.db2.gz IBSBZZYCACCEIK-UHFFFAOYSA-N 2 1 303.494 3.104 20 0 DGADMP CC1(C)N[C@@H](CC[N@@H+]2CCCC[C@H]2c2ccccc2F)CO1 ZINC001235677663 1099119717 /nfs/dbraw/zinc/11/97/17/1099119717.db2.gz HSRPPULDFXPZKL-YOEHRIQHSA-N 2 1 306.425 3.467 20 0 DGADMP CC1(C)N[C@@H](CC[N@H+]2CCCC[C@H]2c2ccccc2F)CO1 ZINC001235677663 1099119725 /nfs/dbraw/zinc/11/97/25/1099119725.db2.gz HSRPPULDFXPZKL-YOEHRIQHSA-N 2 1 306.425 3.467 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235687802 1099127991 /nfs/dbraw/zinc/12/79/91/1099127991.db2.gz IYANILVAOSUMEG-IAGOWNOFSA-N 2 1 318.461 3.071 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235687802 1099127997 /nfs/dbraw/zinc/12/79/97/1099127997.db2.gz IYANILVAOSUMEG-IAGOWNOFSA-N 2 1 318.461 3.071 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nc3cc(F)ccc3[nH]2)CC1 ZINC001235690876 1099130549 /nfs/dbraw/zinc/13/05/49/1099130549.db2.gz FUZSRCWQOUVOCP-UHFFFAOYSA-N 2 1 318.440 3.254 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001235690076 1099130794 /nfs/dbraw/zinc/13/07/94/1099130794.db2.gz FTZFUDOBRTXVGH-OIISXLGYSA-N 2 1 324.415 3.021 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001235690076 1099130795 /nfs/dbraw/zinc/13/07/95/1099130795.db2.gz FTZFUDOBRTXVGH-OIISXLGYSA-N 2 1 324.415 3.021 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001235690396 1099130899 /nfs/dbraw/zinc/13/08/99/1099130899.db2.gz FTZFUDOBRTXVGH-PVAVHDDUSA-N 2 1 324.415 3.021 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001235690396 1099130901 /nfs/dbraw/zinc/13/09/01/1099130901.db2.gz FTZFUDOBRTXVGH-PVAVHDDUSA-N 2 1 324.415 3.021 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235714829 1099141787 /nfs/dbraw/zinc/14/17/87/1099141787.db2.gz LRYBXUOOEBIFQL-NRFANRHFSA-N 2 1 322.452 3.123 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235714089 1099142265 /nfs/dbraw/zinc/14/22/65/1099142265.db2.gz GUDLJHNORNPDAN-KBMXLJTQSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235714089 1099142271 /nfs/dbraw/zinc/14/22/71/1099142271.db2.gz GUDLJHNORNPDAN-KBMXLJTQSA-N 2 1 324.415 3.323 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718066 1099143277 /nfs/dbraw/zinc/14/32/77/1099143277.db2.gz TWOSCSYCWWGGNY-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001235727497 1099151155 /nfs/dbraw/zinc/15/11/55/1099151155.db2.gz SOJVJTLKCVHOEX-MAUKXSAKSA-N 2 1 320.502 3.175 20 0 DGADMP CC[N@H+](Cc1cc(F)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235760566 1099168194 /nfs/dbraw/zinc/16/81/94/1099168194.db2.gz FQPIWQRLUQGNFL-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CC[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235760566 1099168200 /nfs/dbraw/zinc/16/82/00/1099168200.db2.gz FQPIWQRLUQGNFL-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235762519 1099168528 /nfs/dbraw/zinc/16/85/28/1099168528.db2.gz VNBPVSWJSMTMHV-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235762519 1099168531 /nfs/dbraw/zinc/16/85/31/1099168531.db2.gz VNBPVSWJSMTMHV-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CC[N@@H+](Cc1cc2cc(OC)ccc2s1)C1CC[NH2+]CC1 ZINC001235764472 1099170945 /nfs/dbraw/zinc/17/09/45/1099170945.db2.gz FPFCNXITBTWLAG-UHFFFAOYSA-N 2 1 304.459 3.484 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235787704 1099178433 /nfs/dbraw/zinc/17/84/33/1099178433.db2.gz FKGRYOXOPAKOMV-GOSISDBHSA-N 2 1 321.896 3.018 20 0 DGADMP C[NH+]1CCC(CCN2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235787704 1099178436 /nfs/dbraw/zinc/17/84/36/1099178436.db2.gz FKGRYOXOPAKOMV-GOSISDBHSA-N 2 1 321.896 3.018 20 0 DGADMP COc1cccc(CC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001235840307 1099202803 /nfs/dbraw/zinc/20/28/03/1099202803.db2.gz IUTRNSVTRZYPNC-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H](NCc3ccccc3OC3CCCC3)[C@H]2C1 ZINC001179815546 1099212065 /nfs/dbraw/zinc/21/20/65/1099212065.db2.gz HTAKKRPMTXCJSB-WDSOQIARSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@H]2C1 ZINC001179815546 1099212071 /nfs/dbraw/zinc/21/20/71/1099212071.db2.gz HTAKKRPMTXCJSB-WDSOQIARSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@H]2C1 ZINC001179815546 1099212078 /nfs/dbraw/zinc/21/20/78/1099212078.db2.gz HTAKKRPMTXCJSB-WDSOQIARSA-N 2 1 314.473 3.438 20 0 DGADMP C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001235863653 1099225821 /nfs/dbraw/zinc/22/58/21/1099225821.db2.gz GWOMWGQDUQCDCG-QGZVFWFLSA-N 2 1 309.457 3.024 20 0 DGADMP Brc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235882580 1099231586 /nfs/dbraw/zinc/23/15/86/1099231586.db2.gz OGANTCQBVBXYGS-HIFRSBDPSA-N 2 1 323.278 3.238 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925275 1099261410 /nfs/dbraw/zinc/26/14/10/1099261410.db2.gz OYAUXELEDVOAEW-ZDUSSCGKSA-N 2 1 302.340 3.207 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1ccc(Br)cc1 ZINC001235925259 1099262292 /nfs/dbraw/zinc/26/22/92/1099262292.db2.gz NUMMPFMDSIKDAX-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP Clc1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235928637 1099265488 /nfs/dbraw/zinc/26/54/88/1099265488.db2.gz BMSVEHNEKUOPAY-ZIAGYGMSSA-N 2 1 313.272 3.467 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929752 1099265614 /nfs/dbraw/zinc/26/56/14/1099265614.db2.gz RWCXBIHFXMAMPN-MSOLQXFVSA-N 2 1 302.462 3.297 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235929755 1099265780 /nfs/dbraw/zinc/26/57/80/1099265780.db2.gz RWCXBIHFXMAMPN-ZWKOTPCHSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235936941 1099272328 /nfs/dbraw/zinc/27/23/28/1099272328.db2.gz OBYHTUOREOUCBJ-IAGOWNOFSA-N 2 1 302.462 3.132 20 0 DGADMP COCCC[N@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001235937489 1099273563 /nfs/dbraw/zinc/27/35/63/1099273563.db2.gz NLHIKBPDEDMJDM-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCCC[N@@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001235937489 1099273568 /nfs/dbraw/zinc/27/35/68/1099273568.db2.gz NLHIKBPDEDMJDM-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235942875 1099276899 /nfs/dbraw/zinc/27/68/99/1099276899.db2.gz YLUOWCPJUNVXEY-QUCCMNQESA-N 2 1 322.452 3.404 20 0 DGADMP COCC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235946739 1099279478 /nfs/dbraw/zinc/27/94/78/1099279478.db2.gz RGXONEVEKFBPLY-MAUKXSAKSA-N 2 1 322.880 3.144 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001235948331 1099280091 /nfs/dbraw/zinc/28/00/91/1099280091.db2.gz NREZUDTYJQLCTN-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235948331 1099280096 /nfs/dbraw/zinc/28/00/96/1099280096.db2.gz NREZUDTYJQLCTN-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235948331 1099280102 /nfs/dbraw/zinc/28/01/02/1099280102.db2.gz NREZUDTYJQLCTN-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CC[N@@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001235949233 1099283220 /nfs/dbraw/zinc/28/32/20/1099283220.db2.gz ZVVXLVLYZSONEX-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1cccc(C[NH3+])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949233 1099283227 /nfs/dbraw/zinc/28/32/27/1099283227.db2.gz ZVVXLVLYZSONEX-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CCN(Cc1cccc(C[NH3+])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949233 1099283236 /nfs/dbraw/zinc/28/32/36/1099283236.db2.gz ZVVXLVLYZSONEX-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CCOc1c(F)cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC001235958143 1099288570 /nfs/dbraw/zinc/28/85/70/1099288570.db2.gz WPUOLHUXYRWCBQ-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC001235958143 1099288577 /nfs/dbraw/zinc/28/85/77/1099288577.db2.gz WPUOLHUXYRWCBQ-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235958028 1099289885 /nfs/dbraw/zinc/28/98/85/1099289885.db2.gz CBBHWFLDLCVHML-MJGOQNOKSA-N 2 1 302.462 3.057 20 0 DGADMP c1cc2n(c1C[N@H+]1CCC[C@@H](c3ccccc3)CC1)CC[NH2+]C2 ZINC001235958986 1099291947 /nfs/dbraw/zinc/29/19/47/1099291947.db2.gz DRUFIMSVQDSWDD-GOSISDBHSA-N 2 1 309.457 3.361 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235963072 1099294412 /nfs/dbraw/zinc/29/44/12/1099294412.db2.gz TXTRACHJSLIYJT-UHFFFAOYSA-N 2 1 302.462 3.297 20 0 DGADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001235963433 1099295844 /nfs/dbraw/zinc/29/58/44/1099295844.db2.gz SZJACQCXMUVJKR-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC001235969168 1099298316 /nfs/dbraw/zinc/29/83/16/1099298316.db2.gz OWUWHAIOTMUZQC-YJBOKZPZSA-N 2 1 322.880 3.277 20 0 DGADMP COc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235975789 1099303656 /nfs/dbraw/zinc/30/36/56/1099303656.db2.gz WQZZBTMQYABQJI-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP FC1CC2(C1)CCC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001235993804 1099317936 /nfs/dbraw/zinc/31/79/36/1099317936.db2.gz QKZWQHOOKXUTMS-UHFFFAOYSA-N 2 1 308.466 3.498 20 0 DGADMP CC(C)Oc1c(C[NH+]2CC3(C2)CCC[NH2+]CC3)ccc(F)c1F ZINC001236004079 1099325930 /nfs/dbraw/zinc/32/59/30/1099325930.db2.gz BRSNVZVVTLDFHP-UHFFFAOYSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Cl)c1 ZINC001236007755 1099329274 /nfs/dbraw/zinc/32/92/74/1099329274.db2.gz ZMQMFWCQCFMZSH-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP Clc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236012504 1099335018 /nfs/dbraw/zinc/33/50/18/1099335018.db2.gz NAJYJKTVJLSXJW-MJGOQNOKSA-N 2 1 312.844 3.313 20 0 DGADMP Clc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236012504 1099335030 /nfs/dbraw/zinc/33/50/30/1099335030.db2.gz NAJYJKTVJLSXJW-MJGOQNOKSA-N 2 1 312.844 3.313 20 0 DGADMP Cc1ccc(F)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236013155 1099335620 /nfs/dbraw/zinc/33/56/20/1099335620.db2.gz YUQRMSBXDBQCIH-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236013155 1099335633 /nfs/dbraw/zinc/33/56/33/1099335633.db2.gz YUQRMSBXDBQCIH-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP C[C@H]1C[N@@H+](CC2(F)CC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC001236085051 1099376063 /nfs/dbraw/zinc/37/60/63/1099376063.db2.gz JJTNUQAFCGBBEY-ZDUSSCGKSA-N 2 1 310.844 3.393 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084661 1099377391 /nfs/dbraw/zinc/37/73/91/1099377391.db2.gz DEQLKTCPGGBCJM-XJKSGUPXSA-N 2 1 308.416 3.271 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084661 1099377406 /nfs/dbraw/zinc/37/74/06/1099377406.db2.gz DEQLKTCPGGBCJM-XJKSGUPXSA-N 2 1 308.416 3.271 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236167716 1099442037 /nfs/dbraw/zinc/44/20/37/1099442037.db2.gz PCAQZEXCRBSPOS-INIZCTEOSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236167716 1099442041 /nfs/dbraw/zinc/44/20/41/1099442041.db2.gz PCAQZEXCRBSPOS-INIZCTEOSA-N 2 1 324.509 3.353 20 0 DGADMP Clc1ccc([C@H]2COCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001236181266 1099450960 /nfs/dbraw/zinc/45/09/60/1099450960.db2.gz FXOJKCZXKDBFAJ-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccc([C@H]2COCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001236181266 1099450967 /nfs/dbraw/zinc/45/09/67/1099450967.db2.gz FXOJKCZXKDBFAJ-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP CCC[N@H+](Cc1cc(F)c(OCC)c(F)c1)C1CC[NH2+]CC1 ZINC001236182302 1099452441 /nfs/dbraw/zinc/45/24/41/1099452441.db2.gz JQUQNJGLAJCTRC-UHFFFAOYSA-N 2 1 312.404 3.328 20 0 DGADMP CCC[N@@H+](Cc1cc(F)c(OCC)c(F)c1)C1CC[NH2+]CC1 ZINC001236182302 1099452450 /nfs/dbraw/zinc/45/24/50/1099452450.db2.gz JQUQNJGLAJCTRC-UHFFFAOYSA-N 2 1 312.404 3.328 20 0 DGADMP CCC[N@@H+](Cc1cc(F)c(OC)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236182531 1099453498 /nfs/dbraw/zinc/45/34/98/1099453498.db2.gz QJZRUVCQXFWHLC-UHFFFAOYSA-N 2 1 314.832 3.452 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236198250 1099458544 /nfs/dbraw/zinc/45/85/44/1099458544.db2.gz ALDJTUXJEVFCCJ-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+](Cc1cccn1-c1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236220959 1099480490 /nfs/dbraw/zinc/48/04/90/1099480490.db2.gz BHTFTUAUEKKVEB-SHTZXODSSA-N 2 1 301.409 3.318 20 0 DGADMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236225070 1099481628 /nfs/dbraw/zinc/48/16/28/1099481628.db2.gz ZDODXZGWKMMHMX-SHTZXODSSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(F)c1)C1(C)CC[NH2+]CC1 ZINC001236225698 1099483451 /nfs/dbraw/zinc/48/34/51/1099483451.db2.gz CHRLDKYYLZVZFX-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(F)c1)C1(C)CC[NH2+]CC1 ZINC001236225698 1099483457 /nfs/dbraw/zinc/48/34/57/1099483457.db2.gz CHRLDKYYLZVZFX-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP COc1ccc2sc(C[N@@H+](C)C3(C)CC[NH2+]CC3)cc2c1 ZINC001236226598 1099483954 /nfs/dbraw/zinc/48/39/54/1099483954.db2.gz PMNBLQUSIONDPD-UHFFFAOYSA-N 2 1 304.459 3.484 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2ccccc2N2CC[NH2+]CC2)cc1C ZINC001236240275 1099493469 /nfs/dbraw/zinc/49/34/69/1099493469.db2.gz KRCMJVKULXSZMP-UHFFFAOYSA-N 2 1 323.484 3.345 20 0 DGADMP c1ccc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CC[NH2+]CC2)cc1 ZINC001236285829 1099518941 /nfs/dbraw/zinc/51/89/41/1099518941.db2.gz ICXDMKOOQFVVEA-UHFFFAOYSA-N 2 1 322.452 3.376 20 0 DGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CC[NH2+]CC2)cc1 ZINC001236285829 1099518951 /nfs/dbraw/zinc/51/89/51/1099518951.db2.gz ICXDMKOOQFVVEA-UHFFFAOYSA-N 2 1 322.452 3.376 20 0 DGADMP CN(CCC[NH2+]C1CCCCC1)CC[N@@H+](C)Cc1ccccc1 ZINC001236306595 1099525421 /nfs/dbraw/zinc/52/54/21/1099525421.db2.gz AVNKEZDLUMGPLP-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314742 1099531078 /nfs/dbraw/zinc/53/10/78/1099531078.db2.gz GMGPODOUVJELDE-OKILXGFUSA-N 2 1 314.351 3.017 20 0 DGADMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001236320695 1099533228 /nfs/dbraw/zinc/53/32/28/1099533228.db2.gz BACKPQKPSQCWAU-GASCZTMLSA-N 2 1 312.379 3.445 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236321370 1099535286 /nfs/dbraw/zinc/53/52/86/1099535286.db2.gz IWXVZOQRLCRMRA-BGYRXZFFSA-N 2 1 323.484 3.337 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321687 1099535506 /nfs/dbraw/zinc/53/55/06/1099535506.db2.gz VOZFJBMNJYINHF-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP CCOc1ncccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374090 1099561570 /nfs/dbraw/zinc/56/15/70/1099561570.db2.gz BFASXUKMDZLFES-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP CCOc1ncccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374090 1099561578 /nfs/dbraw/zinc/56/15/78/1099561578.db2.gz BFASXUKMDZLFES-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP c1[nH]nc2ccc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cc12 ZINC001236375663 1099564316 /nfs/dbraw/zinc/56/43/16/1099564316.db2.gz LXJQRXVYYKQABP-MRXNPFEDSA-N 2 1 312.461 3.307 20 0 DGADMP CCOC(C)(C)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379586 1099566091 /nfs/dbraw/zinc/56/60/91/1099566091.db2.gz COPSXZITEHNACX-UHFFFAOYSA-N 2 1 322.468 3.442 20 0 DGADMP Cc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)[nH]1 ZINC001236381444 1099566787 /nfs/dbraw/zinc/56/67/87/1099566787.db2.gz JWKDBIRODCMZGF-UHFFFAOYSA-N 2 1 315.436 3.464 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236407284 1099579105 /nfs/dbraw/zinc/57/91/05/1099579105.db2.gz CQXQAGZMZDLVEK-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236407284 1099579114 /nfs/dbraw/zinc/57/91/14/1099579114.db2.gz CQXQAGZMZDLVEK-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407340 1099579942 /nfs/dbraw/zinc/57/99/42/1099579942.db2.gz DIOKSFVFZLTRAQ-CQSZACIVSA-N 2 1 301.409 3.252 20 0 DGADMP CC[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408457 1099580655 /nfs/dbraw/zinc/58/06/55/1099580655.db2.gz MSWAJJFFAGPKTA-GFCCVEGCSA-N 2 1 320.330 3.156 20 0 DGADMP CC[N@H+](Cc1cc(C)cc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236409838 1099584933 /nfs/dbraw/zinc/58/49/33/1099584933.db2.gz XMXMJFKXDKXBRZ-ZDUSSCGKSA-N 2 1 316.367 3.325 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)c1 ZINC001236412275 1099586277 /nfs/dbraw/zinc/58/62/77/1099586277.db2.gz SQJBMQUXTUCHKC-HXUWFJFHSA-N 2 1 322.452 3.330 20 0 DGADMP Cc1cccn2c(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)cnc12 ZINC001236456402 1099619640 /nfs/dbraw/zinc/61/96/40/1099619640.db2.gz DKMKSMFRJWEUNZ-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP Cc1cccn2c(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)cnc12 ZINC001236456402 1099619646 /nfs/dbraw/zinc/61/96/46/1099619646.db2.gz DKMKSMFRJWEUNZ-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CC[NH2+]CC1 ZINC001236461695 1099624450 /nfs/dbraw/zinc/62/44/50/1099624450.db2.gz OVDONHUPLKOODZ-UHFFFAOYSA-N 2 1 318.505 3.476 20 0 DGADMP CCOCC[N@@H+](Cc1ccccc1C1CC1)C1CC[NH2+]CC1 ZINC001236460885 1099624848 /nfs/dbraw/zinc/62/48/48/1099624848.db2.gz HNAYCMKWARKRAA-UHFFFAOYSA-N 2 1 302.462 3.155 20 0 DGADMP CCOCC[N@@H+](CCCCCc1ccccc1)C1CC[NH2+]CC1 ZINC001236460424 1099625195 /nfs/dbraw/zinc/62/51/95/1099625195.db2.gz PSLIBLMPXYOBEO-UHFFFAOYSA-N 2 1 318.505 3.490 20 0 DGADMP CCOCC[N@@H+](Cc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC001236464337 1099627229 /nfs/dbraw/zinc/62/72/29/1099627229.db2.gz AJQSYMBDYKQORA-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP CC(C)C[N@H+](C[C@H](C)OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236475028 1099633421 /nfs/dbraw/zinc/63/34/21/1099633421.db2.gz UZUXWOORXWIQRS-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)C[N@@H+](C[C@H](C)OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236475028 1099633427 /nfs/dbraw/zinc/63/34/27/1099633427.db2.gz UZUXWOORXWIQRS-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP CCC1(C[N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)COC1 ZINC001236492669 1099643545 /nfs/dbraw/zinc/64/35/45/1099643545.db2.gz OGAKYMNDWRMZNT-UHFFFAOYSA-N 2 1 320.452 3.115 20 0 DGADMP CCC1(C[N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)COC1 ZINC001236492669 1099643547 /nfs/dbraw/zinc/64/35/47/1099643547.db2.gz OGAKYMNDWRMZNT-UHFFFAOYSA-N 2 1 320.452 3.115 20 0 DGADMP Cc1ccc(F)cc1C[N@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236510003 1099653323 /nfs/dbraw/zinc/65/33/23/1099653323.db2.gz UQXZSXHMYZIDOJ-IBGZPJMESA-N 2 1 320.452 3.257 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236510003 1099653328 /nfs/dbraw/zinc/65/33/28/1099653328.db2.gz UQXZSXHMYZIDOJ-IBGZPJMESA-N 2 1 320.452 3.257 20 0 DGADMP CC(C)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC001236529440 1099664656 /nfs/dbraw/zinc/66/46/56/1099664656.db2.gz YXFLSKQLMGQVJQ-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551018 1099677636 /nfs/dbraw/zinc/67/76/36/1099677636.db2.gz IRBUGYIXLZZXOB-WKILWMFISA-N 3 1 321.534 3.122 20 0 DGADMP CC1(C)OC[C@H](C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)O1 ZINC001236565866 1099680729 /nfs/dbraw/zinc/68/07/29/1099680729.db2.gz QGMXOWPVOLXRHU-XIRDDKMYSA-N 2 1 310.482 3.043 20 0 DGADMP CCOc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(C)c1 ZINC001236600036 1099697286 /nfs/dbraw/zinc/69/72/86/1099697286.db2.gz YBRZKDIZPHKUMQ-MRXNPFEDSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cnc1OC(C)C ZINC001236604959 1099699472 /nfs/dbraw/zinc/69/94/72/1099699472.db2.gz LCEDEYRVQZIHQZ-INIZCTEOSA-N 2 1 317.477 3.141 20 0 DGADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cnc1OC(C)C ZINC001236604959 1099699477 /nfs/dbraw/zinc/69/94/77/1099699477.db2.gz LCEDEYRVQZIHQZ-INIZCTEOSA-N 2 1 317.477 3.141 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236665688 1099733163 /nfs/dbraw/zinc/73/31/63/1099733163.db2.gz VSUSYOMRTCMLMC-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236665688 1099733175 /nfs/dbraw/zinc/73/31/75/1099733175.db2.gz VSUSYOMRTCMLMC-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP COc1ccccc1C[N@@H+](C[C@H]1C[C@@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701410 1099746869 /nfs/dbraw/zinc/74/68/69/1099746869.db2.gz RZHPKBCOUYWPPB-RANZSIQMSA-N 2 1 302.462 3.423 20 0 DGADMP COc1ccccc1C[N@@H+](C[C@H]1C[C@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701411 1099746889 /nfs/dbraw/zinc/74/68/89/1099746889.db2.gz RZHPKBCOUYWPPB-VDHUWJSZSA-N 2 1 302.462 3.423 20 0 DGADMP Cc1ccc(C[N@@H+](Cc2ccnc(N)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723751 1099759361 /nfs/dbraw/zinc/75/93/61/1099759361.db2.gz YDBAFPAONCKRCX-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP Cc1cccc(C[N@@H+](CCCCCO)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725749 1099760394 /nfs/dbraw/zinc/76/03/94/1099760394.db2.gz DZBPEUIMESMXPX-WGSAOQKQSA-N 2 1 304.478 3.230 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C[C@H]2CCCCO2)CC1 ZINC001236742718 1099767834 /nfs/dbraw/zinc/76/78/34/1099767834.db2.gz PEZSEGGMWIPUIB-GUDVDZBRSA-N 2 1 320.452 3.467 20 0 DGADMP CCOC(=O)CC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754556 1099772457 /nfs/dbraw/zinc/77/24/57/1099772457.db2.gz HOXTVNOCTTWPFA-QAQDUYKDSA-N 2 1 310.482 3.092 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236827480 1099810608 /nfs/dbraw/zinc/81/06/08/1099810608.db2.gz GFFOPBCYQBGSHF-APHBMKBZSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1c(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC001236826304 1099811620 /nfs/dbraw/zinc/81/16/20/1099811620.db2.gz BQXIFGPYESFLLD-DZKIICNBSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC001236826304 1099811631 /nfs/dbraw/zinc/81/16/31/1099811631.db2.gz BQXIFGPYESFLLD-DZKIICNBSA-N 2 1 323.278 3.235 20 0 DGADMP CCC[N@H+](Cc1ccc(F)c(OC(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843216 1099828284 /nfs/dbraw/zinc/82/82/84/1099828284.db2.gz FZNFBRIXWUDQJQ-MRXNPFEDSA-N 2 1 308.441 3.434 20 0 DGADMP C[C@@H]1CCCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236887314 1099849417 /nfs/dbraw/zinc/84/94/17/1099849417.db2.gz JTNSZIZJUYLKLL-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP CCC[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H](C)CC ZINC001236886273 1099849502 /nfs/dbraw/zinc/84/95/02/1099849502.db2.gz AWHYOAMLCJNFAD-QGZVFWFLSA-N 2 1 303.494 3.449 20 0 DGADMP COc1cc(C)c(C)cc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001278022770 1099851064 /nfs/dbraw/zinc/85/10/64/1099851064.db2.gz ZOHJATMKBCVYRD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001278022770 1099851074 /nfs/dbraw/zinc/85/10/74/1099851074.db2.gz ZOHJATMKBCVYRD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001278022770 1099851090 /nfs/dbraw/zinc/85/10/90/1099851090.db2.gz ZOHJATMKBCVYRD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001278022770 1099851098 /nfs/dbraw/zinc/85/10/98/1099851098.db2.gz ZOHJATMKBCVYRD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001278022770 1099851113 /nfs/dbraw/zinc/85/11/13/1099851113.db2.gz ZOHJATMKBCVYRD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC001236886268 1099851144 /nfs/dbraw/zinc/85/11/44/1099851144.db2.gz AVZCWRWTBOMUGR-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC001236899436 1099863365 /nfs/dbraw/zinc/86/33/65/1099863365.db2.gz RYZIMBLABCBJPR-SJORKVTESA-N 2 1 301.478 3.059 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-n2ccnc2)cc1Cl ZINC001236921694 1099880751 /nfs/dbraw/zinc/88/07/51/1099880751.db2.gz LZAZLZXRKUSRBA-DUVNUKRYSA-N 2 1 305.784 3.458 20 0 DGADMP FC1(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC001236950260 1099888605 /nfs/dbraw/zinc/88/86/05/1099888605.db2.gz KNZDUKLCKNZXTR-GOSISDBHSA-N 2 1 304.453 3.423 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC001236974596 1099896184 /nfs/dbraw/zinc/89/61/84/1099896184.db2.gz UBCPYYFQJUNEOF-CVEARBPZSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC001236974596 1099896196 /nfs/dbraw/zinc/89/61/96/1099896196.db2.gz UBCPYYFQJUNEOF-CVEARBPZSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccc(C[NH3+])cc1 ZINC001237000125 1099918838 /nfs/dbraw/zinc/91/88/38/1099918838.db2.gz PVPBUMHFUJMRCM-QZTJIDSGSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)[C@H](C)CN1Cc1ccccc1 ZINC001237000125 1099918849 /nfs/dbraw/zinc/91/88/49/1099918849.db2.gz PVPBUMHFUJMRCM-QZTJIDSGSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H](C)CN1Cc1ccccc1 ZINC001237000125 1099918861 /nfs/dbraw/zinc/91/88/61/1099918861.db2.gz PVPBUMHFUJMRCM-QZTJIDSGSA-N 2 1 323.484 3.240 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CCCC2)c1)CC1CC[NH+](C)CC1 ZINC001237096792 1099967618 /nfs/dbraw/zinc/96/76/18/1099967618.db2.gz SPYWQBASBLSLJQ-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@H]1C ZINC001237115610 1099979378 /nfs/dbraw/zinc/97/93/78/1099979378.db2.gz YMLQTXSEWPJISN-DLBZAZTESA-N 2 1 324.509 3.210 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@H]1C ZINC001237115612 1099980530 /nfs/dbraw/zinc/98/05/30/1099980530.db2.gz YMLQTXSEWPJISN-IRXDYDNUSA-N 2 1 324.509 3.210 20 0 DGADMP Cc1c(C[N@H+]2CC[C@]3(C2)CNCCO3)cccc1-c1ccccc1 ZINC001237143148 1099992023 /nfs/dbraw/zinc/99/20/23/1099992023.db2.gz PPDJMSBEESNEOP-OAQYLSRUSA-N 2 1 322.452 3.226 20 0 DGADMP Fc1ccc2c(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001237155820 1100004483 /nfs/dbraw/zinc/00/44/83/1100004483.db2.gz SPUXWKXLTURYIQ-INIZCTEOSA-N 2 1 301.409 3.414 20 0 DGADMP Fc1ccc2c(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001237155820 1100004489 /nfs/dbraw/zinc/00/44/89/1100004489.db2.gz SPUXWKXLTURYIQ-INIZCTEOSA-N 2 1 301.409 3.414 20 0 DGADMP Clc1ccc2c(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c[nH]c2n1 ZINC001237157098 1100007283 /nfs/dbraw/zinc/00/72/83/1100007283.db2.gz RBAKPEFYMZPQGB-CQSZACIVSA-N 2 1 318.852 3.323 20 0 DGADMP Clc1ccc2c(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c[nH]c2n1 ZINC001237157098 1100007288 /nfs/dbraw/zinc/00/72/88/1100007288.db2.gz RBAKPEFYMZPQGB-CQSZACIVSA-N 2 1 318.852 3.323 20 0 DGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc2cccccc1-2 ZINC001237182948 1100017568 /nfs/dbraw/zinc/01/75/68/1100017568.db2.gz KPOXZOGQAHSFQC-LEWJYISDSA-N 2 1 323.484 3.002 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001237187001 1100022859 /nfs/dbraw/zinc/02/28/59/1100022859.db2.gz BGCNLSBWRHPFGF-FQEVSTJZSA-N 2 1 316.464 3.495 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@@H]3CCCC[NH2+]3)CC[C@@H]1N2 ZINC001237237472 1100043686 /nfs/dbraw/zinc/04/36/86/1100043686.db2.gz VLGIJYUSVODXNP-ZVZYQTTQSA-N 2 1 319.880 3.456 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@@H]3CCCC[NH2+]3)CC[C@@H]1N2 ZINC001237237472 1100043692 /nfs/dbraw/zinc/04/36/92/1100043692.db2.gz VLGIJYUSVODXNP-ZVZYQTTQSA-N 2 1 319.880 3.456 20 0 DGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001237275927 1100056361 /nfs/dbraw/zinc/05/63/61/1100056361.db2.gz SAYFGMZFTOEHAC-APWZRJJASA-N 2 1 319.468 3.037 20 0 DGADMP CC(C)Oc1cc(F)c(C[NH+]2CCC3(CC[C@H]3[NH3+])CC2)c(F)c1 ZINC001237359929 1100094173 /nfs/dbraw/zinc/09/41/73/1100094173.db2.gz SCKGXDYUMYCLCR-QGZVFWFLSA-N 2 1 324.415 3.455 20 0 DGADMP CC(C)Oc1cc(F)c(C[NH+]2CCC3(CC[C@@H]3[NH3+])CC2)c(F)c1 ZINC001237359927 1100094278 /nfs/dbraw/zinc/09/42/78/1100094278.db2.gz SCKGXDYUMYCLCR-KRWDZBQOSA-N 2 1 324.415 3.455 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237381606 1100100850 /nfs/dbraw/zinc/10/08/50/1100100850.db2.gz JEBIKFHTHDKCIA-SUMWQHHRSA-N 2 1 300.402 3.015 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237381606 1100100852 /nfs/dbraw/zinc/10/08/52/1100100852.db2.gz JEBIKFHTHDKCIA-SUMWQHHRSA-N 2 1 300.402 3.015 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237381595 1100100946 /nfs/dbraw/zinc/10/09/46/1100100946.db2.gz JEBIKFHTHDKCIA-CXAGYDPISA-N 2 1 300.402 3.015 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237381595 1100100947 /nfs/dbraw/zinc/10/09/47/1100100947.db2.gz JEBIKFHTHDKCIA-CXAGYDPISA-N 2 1 300.402 3.015 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237393910 1100106979 /nfs/dbraw/zinc/10/69/79/1100106979.db2.gz UEXPEFLAIDPRPO-IEBWSBKVSA-N 2 1 313.489 3.251 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237393910 1100106988 /nfs/dbraw/zinc/10/69/88/1100106988.db2.gz UEXPEFLAIDPRPO-IEBWSBKVSA-N 2 1 313.489 3.251 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1CC ZINC001237392546 1100107307 /nfs/dbraw/zinc/10/73/07/1100107307.db2.gz NPQDDGGYDQSVEE-MSOLQXFVSA-N 2 1 302.462 3.222 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1CC ZINC001237392546 1100107310 /nfs/dbraw/zinc/10/73/10/1100107310.db2.gz NPQDDGGYDQSVEE-MSOLQXFVSA-N 2 1 302.462 3.222 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC001237433161 1100125113 /nfs/dbraw/zinc/12/51/13/1100125113.db2.gz DFKBVBZJDZBHKZ-HOTGVXAUSA-N 2 1 313.420 3.148 20 0 DGADMP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001281877685 1100197896 /nfs/dbraw/zinc/19/78/96/1100197896.db2.gz LNVQAESZTDKDJX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C(C[NH+]1CCCCC1)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278154493 1100267262 /nfs/dbraw/zinc/26/72/62/1100267262.db2.gz RHMOXKCFFMUEMO-HXUWFJFHSA-N 2 1 319.537 3.203 20 0 DGADMP CC[N@H+]1CCN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C[C@H]1C ZINC001237877791 1100278053 /nfs/dbraw/zinc/27/80/53/1100278053.db2.gz CKTHIBZCCXBKEY-MRXNPFEDSA-N 2 1 313.489 3.214 20 0 DGADMP COC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237881217 1100280524 /nfs/dbraw/zinc/28/05/24/1100280524.db2.gz OEHMVKNRRSHPHN-QGZVFWFLSA-N 2 1 300.446 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)cc21 ZINC001237887098 1100281748 /nfs/dbraw/zinc/28/17/48/1100281748.db2.gz RNRKERGXNLOYMA-ROUUACIJSA-N 2 1 312.457 3.156 20 0 DGADMP C[N@H+](Cc1ccccc1C1CCOCC1)C1CC[NH+](C)CC1 ZINC001237899446 1100286349 /nfs/dbraw/zinc/28/63/49/1100286349.db2.gz OZNMPPHRHVWDCQ-UHFFFAOYSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@@H+](Cc1ccccc1C1CCOCC1)C1CC[NH+](C)CC1 ZINC001237899446 1100286352 /nfs/dbraw/zinc/28/63/52/1100286352.db2.gz OZNMPPHRHVWDCQ-UHFFFAOYSA-N 2 1 302.462 3.107 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cncc(C3CC3)c2)CC1 ZINC001238184554 1100385006 /nfs/dbraw/zinc/38/50/06/1100385006.db2.gz IIZUCIVNEIMIRW-UHFFFAOYSA-N 2 1 322.456 3.401 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001205558122 1100416344 /nfs/dbraw/zinc/41/63/44/1100416344.db2.gz BYGIQIBVWXRHHY-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP Fc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C1CC1 ZINC001238501106 1100461327 /nfs/dbraw/zinc/46/13/27/1100461327.db2.gz KWAQLASPOWQLOT-UHFFFAOYSA-N 2 1 311.404 3.420 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2CCCc3ccccc32)[C@H](C)C1 ZINC001191600194 1100493471 /nfs/dbraw/zinc/49/34/71/1100493471.db2.gz CMJIMXRTULROKR-MJGOQNOKSA-N 2 1 315.505 3.101 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2CCCc3ccccc32)[C@H](C)C1 ZINC001191600194 1100493474 /nfs/dbraw/zinc/49/34/74/1100493474.db2.gz CMJIMXRTULROKR-MJGOQNOKSA-N 2 1 315.505 3.101 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001238754436 1100520688 /nfs/dbraw/zinc/52/06/88/1100520688.db2.gz IKOYXYDCJHTPHM-OALUTQOASA-N 2 1 316.489 3.474 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2sccc2Br)CC[C@@H]1C[NH3+] ZINC001205617821 1100684159 /nfs/dbraw/zinc/68/41/59/1100684159.db2.gz ODJTXVAAEOKFDX-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP FC(F)(F)c1ccccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239547310 1100686854 /nfs/dbraw/zinc/68/68/54/1100686854.db2.gz CPWQROKFOLFKGW-UHFFFAOYSA-N 2 1 307.319 3.177 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205618341 1100691013 /nfs/dbraw/zinc/69/10/13/1100691013.db2.gz UWMIXYXOXQIDNQ-ZFWWWQNUSA-N 2 1 312.404 3.137 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001239684797 1100725305 /nfs/dbraw/zinc/72/53/05/1100725305.db2.gz RWYJQEVFTYPHFC-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP CC[C@H](C)[C@@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001194250700 1100902149 /nfs/dbraw/zinc/90/21/49/1100902149.db2.gz IYFXPYPRLBLAMM-RBUKOAKNSA-N 2 1 317.521 3.171 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3ccccc3C3([NH3+])CC3)cc2)CC1 ZINC001240408631 1100983227 /nfs/dbraw/zinc/98/32/27/1100983227.db2.gz NUSHGNHHEPSADH-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP CC(C)([NH3+])c1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001240477280 1101014719 /nfs/dbraw/zinc/01/47/19/1101014719.db2.gz LTINLZWHTPIIKP-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP FC(F)(F)c1cncc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001240792196 1101140452 /nfs/dbraw/zinc/14/04/52/1101140452.db2.gz NSRSBJXVXZUJPF-UHFFFAOYSA-N 2 1 318.302 3.102 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001195487962 1101147673 /nfs/dbraw/zinc/14/76/73/1101147673.db2.gz MKLYGEXAHXVVRV-UXHICEINSA-N 2 1 318.505 3.176 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001195499950 1101150448 /nfs/dbraw/zinc/15/04/48/1101150448.db2.gz YXPVZSUYTSRJKB-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001195499950 1101150452 /nfs/dbraw/zinc/15/04/52/1101150452.db2.gz YXPVZSUYTSRJKB-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001195499950 1101150453 /nfs/dbraw/zinc/15/04/53/1101150453.db2.gz YXPVZSUYTSRJKB-PMACEKPBSA-N 2 1 316.489 3.134 20 0 DGADMP Fc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(F)c1F ZINC001240980092 1101207781 /nfs/dbraw/zinc/20/77/81/1101207781.db2.gz OYIGKZMZNWGDBX-UHFFFAOYSA-N 2 1 303.287 3.105 20 0 DGADMP CCOc1ccc(C)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241146606 1101274740 /nfs/dbraw/zinc/27/47/40/1101274740.db2.gz SAYXYAVHFUUFAH-UHFFFAOYSA-N 2 1 307.397 3.395 20 0 DGADMP CC(C)Cc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001196488916 1101319301 /nfs/dbraw/zinc/31/93/01/1101319301.db2.gz HICCLDNEXFISJR-FQEVSTJZSA-N 2 1 318.505 3.428 20 0 DGADMP c1ccc(C[N@@H+]2CC=C(c3ccc4c(n3)C[NH2+]CC4)CC2)cc1 ZINC001241502634 1101516004 /nfs/dbraw/zinc/51/60/04/1101516004.db2.gz PWIQGJIFSKYTLO-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP c1ccc(C[N@@H+]2CC=C(c3ccc4c(n3)CC[NH2+]C4)CC2)cc1 ZINC001241501914 1101517545 /nfs/dbraw/zinc/51/75/45/1101517545.db2.gz ZLTQUAJACGQTLM-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CCN1c1cc[nH+]cc1 ZINC001197369149 1101557201 /nfs/dbraw/zinc/55/72/01/1101557201.db2.gz VFCWLHJJXDOQDV-LIRRHRJNSA-N 2 1 311.404 3.419 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CCN1c1cc[nH+]cc1 ZINC001197369146 1101557698 /nfs/dbraw/zinc/55/76/98/1101557698.db2.gz VFCWLHJJXDOQDV-AUUYWEPGSA-N 2 1 311.404 3.419 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2c1OCC2 ZINC001199336315 1102110037 /nfs/dbraw/zinc/11/00/37/1102110037.db2.gz KYQTZXMONFCRCI-MRXNPFEDSA-N 2 1 302.462 3.366 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001199403571 1102133246 /nfs/dbraw/zinc/13/32/46/1102133246.db2.gz VSXDGDGXLVWHBD-UHFFFAOYSA-N 2 1 305.466 3.299 20 0 DGADMP C[C@H](C[NH2+]Cc1nccc2c1CCCC2)C[NH+]1CCCCC1 ZINC001199582214 1102161102 /nfs/dbraw/zinc/16/11/02/1102161102.db2.gz MMZZJDGDTOMHIU-MRXNPFEDSA-N 2 1 301.478 3.172 20 0 DGADMP CC[N@H+]1CCc2cc(-c3cnn(C4CC[NH+](C)CC4)c3)ccc2C1 ZINC001242728317 1102311113 /nfs/dbraw/zinc/31/11/13/1102311113.db2.gz LLDLNRACELFQMZ-UHFFFAOYSA-N 2 1 324.472 3.195 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@H]2CC1 ZINC001278357436 1102492987 /nfs/dbraw/zinc/49/29/87/1102492987.db2.gz IOOZXQIWZOHDAR-CALCHBBNSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C4CC4)c3)C[C@H]2CC1 ZINC001278357436 1102492991 /nfs/dbraw/zinc/49/29/91/1102492991.db2.gz IOOZXQIWZOHDAR-CALCHBBNSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c(C4CC4)c3)C[C@H]2CC1 ZINC001278357436 1102492997 /nfs/dbraw/zinc/49/29/97/1102492997.db2.gz IOOZXQIWZOHDAR-CALCHBBNSA-N 2 1 302.437 3.477 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001205913068 1102506652 /nfs/dbraw/zinc/50/66/52/1102506652.db2.gz GWROMBIBXBRGHZ-JSGCOSHPSA-N 2 1 316.367 3.453 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201410385 1102593154 /nfs/dbraw/zinc/59/31/54/1102593154.db2.gz JZGCIIXALPOPPM-MISYRCLQSA-N 2 1 318.505 3.023 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201410385 1102593163 /nfs/dbraw/zinc/59/31/63/1102593163.db2.gz JZGCIIXALPOPPM-MISYRCLQSA-N 2 1 318.505 3.023 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201505082 1102616207 /nfs/dbraw/zinc/61/62/07/1102616207.db2.gz YBDCFDCLRAHHOG-IAGOWNOFSA-N 2 1 320.477 3.381 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201543650 1102632096 /nfs/dbraw/zinc/63/20/96/1102632096.db2.gz JBKUCEPNWYRATP-HRCADAONSA-N 2 1 307.507 3.476 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001201544711 1102633977 /nfs/dbraw/zinc/63/39/77/1102633977.db2.gz ZPECAJPISYNGEV-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC(CC)CC)CC2)C1 ZINC001201523507 1102644006 /nfs/dbraw/zinc/64/40/06/1102644006.db2.gz PLGGOAMMGIWDSE-KRWDZBQOSA-N 2 1 324.509 3.162 20 0 DGADMP CSCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201680184 1102683251 /nfs/dbraw/zinc/68/32/51/1102683251.db2.gz BPACVXQEFYDFHX-HDICACEKSA-N 2 1 304.503 3.112 20 0 DGADMP CSCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201680184 1102683252 /nfs/dbraw/zinc/68/32/52/1102683252.db2.gz BPACVXQEFYDFHX-HDICACEKSA-N 2 1 304.503 3.112 20 0 DGADMP CSCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201680184 1102683253 /nfs/dbraw/zinc/68/32/53/1102683253.db2.gz BPACVXQEFYDFHX-HDICACEKSA-N 2 1 304.503 3.112 20 0 DGADMP CCC(CC)[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC001201741230 1102711393 /nfs/dbraw/zinc/71/13/93/1102711393.db2.gz FCVLXXFXBRHTMS-SJLPKXTDSA-N 2 1 305.466 3.221 20 0 DGADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccccc1)[NH+]1CCCCC1 ZINC001201963832 1102775169 /nfs/dbraw/zinc/77/51/69/1102775169.db2.gz XOSYNHPMROZXIT-INIZCTEOSA-N 2 1 312.461 3.431 20 0 DGADMP C[NH+]1CCN(c2cccc(-c3ccc4c(c3)C[N@H+](C)CC4)c2)CC1 ZINC001243673355 1102908399 /nfs/dbraw/zinc/90/83/99/1102908399.db2.gz DVSXKBVETMSCHD-UHFFFAOYSA-N 2 1 321.468 3.093 20 0 DGADMP FC(F)(F)CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202424436 1102979843 /nfs/dbraw/zinc/97/98/43/1102979843.db2.gz HKPZCKGUYBJJSJ-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC ZINC001111161496 1103057638 /nfs/dbraw/zinc/05/76/38/1103057638.db2.gz MWIWJHCCMXZHBP-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC ZINC001111161496 1103057655 /nfs/dbraw/zinc/05/76/55/1103057655.db2.gz MWIWJHCCMXZHBP-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001111161496 1103057672 /nfs/dbraw/zinc/05/76/72/1103057672.db2.gz MWIWJHCCMXZHBP-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001489098129 1103267122 /nfs/dbraw/zinc/26/71/22/1103267122.db2.gz AWHPSCQJJPMAGQ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000689000516 1103276177 /nfs/dbraw/zinc/27/61/77/1103276177.db2.gz ZHKMVEYLASVMQT-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000689000516 1103276189 /nfs/dbraw/zinc/27/61/89/1103276189.db2.gz ZHKMVEYLASVMQT-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001276310724 1103476977 /nfs/dbraw/zinc/47/69/77/1103476977.db2.gz IRVQHKYLDWSXMX-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001276310724 1103476985 /nfs/dbraw/zinc/47/69/85/1103476985.db2.gz IRVQHKYLDWSXMX-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001276310724 1103476990 /nfs/dbraw/zinc/47/69/90/1103476990.db2.gz IRVQHKYLDWSXMX-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001327067936 1103511778 /nfs/dbraw/zinc/51/17/78/1103511778.db2.gz QLRIAEACDXNXAI-QGZVFWFLSA-N 3 1 309.542 3.303 20 0 DGADMP CCC[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001327067936 1103511784 /nfs/dbraw/zinc/51/17/84/1103511784.db2.gz QLRIAEACDXNXAI-QGZVFWFLSA-N 3 1 309.542 3.303 20 0 DGADMP CCC[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001327067936 1103511795 /nfs/dbraw/zinc/51/17/95/1103511795.db2.gz QLRIAEACDXNXAI-QGZVFWFLSA-N 3 1 309.542 3.303 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccccc2)nc1C ZINC001276347452 1103519272 /nfs/dbraw/zinc/51/92/72/1103519272.db2.gz YHYGJMLBORGTBZ-YQQQUEKLSA-N 2 1 322.456 3.167 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccccc2)nc1C ZINC001276347452 1103519280 /nfs/dbraw/zinc/51/92/80/1103519280.db2.gz YHYGJMLBORGTBZ-YQQQUEKLSA-N 2 1 322.456 3.167 20 0 DGADMP Cc1cnc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)cn1 ZINC001276354087 1103527886 /nfs/dbraw/zinc/52/78/86/1103527886.db2.gz GZRYUPSAPFOKFR-RBUKOAKNSA-N 2 1 314.477 3.252 20 0 DGADMP C[C@]1(CO)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001327311292 1103622197 /nfs/dbraw/zinc/62/21/97/1103622197.db2.gz AOOVIGWBKIJUNW-FQEVSTJZSA-N 2 1 316.489 3.267 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001327977091 1103788368 /nfs/dbraw/zinc/78/83/68/1103788368.db2.gz FLCGKUZOKCRHKX-HZPDHXFCSA-N 2 1 323.868 3.131 20 0 DGADMP COc1cc(C)c(C)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001245021120 1103807486 /nfs/dbraw/zinc/80/74/86/1103807486.db2.gz VAASWNBEWLHNLQ-UHFFFAOYSA-N 2 1 307.397 3.314 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001328214381 1103875995 /nfs/dbraw/zinc/87/59/95/1103875995.db2.gz GPACMDRLLFVRNN-MRXNPFEDSA-N 2 1 313.489 3.044 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4c3cccc4F)C2)CC1 ZINC001137057893 1103942050 /nfs/dbraw/zinc/94/20/50/1103942050.db2.gz VRSWDAWZBJCXOH-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4c3cccc4F)C[C@@H]2C1 ZINC001137060680 1103944852 /nfs/dbraw/zinc/94/48/52/1103944852.db2.gz ZZVPTIUUFCQAKM-GJZGRUSLSA-N 2 1 301.409 3.081 20 0 DGADMP c1coc(-c2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2)n1 ZINC001245619912 1104155518 /nfs/dbraw/zinc/15/55/18/1104155518.db2.gz LDMGBAJSVSHNJO-UHFFFAOYSA-N 2 1 316.364 3.343 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH2+][C@H]1CC[NH2+]C1 ZINC001245985733 1104346814 /nfs/dbraw/zinc/34/68/14/1104346814.db2.gz VUTAVXYZPMMNBI-WMZOPIPTSA-N 2 1 324.896 3.001 20 0 DGADMP Cc1cc(F)cc(C[N@@H+](C[C@@H](O)C(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001246071198 1104363377 /nfs/dbraw/zinc/36/33/77/1104363377.db2.gz XZCRAZPGMYIOHG-GOSISDBHSA-N 2 1 322.468 3.095 20 0 DGADMP CC[C@H]1CC([NH2+]Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246073904 1104366146 /nfs/dbraw/zinc/36/61/46/1104366146.db2.gz LNZNJALTRAFJQF-GJZGRUSLSA-N 2 1 306.450 3.103 20 0 DGADMP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CCCCNC3)CC2)cc1 ZINC001246073425 1104367385 /nfs/dbraw/zinc/36/73/85/1104367385.db2.gz VRLWBUIBIVBFRK-HXUWFJFHSA-N 2 1 315.505 3.020 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246074998 1104370075 /nfs/dbraw/zinc/37/00/75/1104370075.db2.gz RZURGYOJQHJWAD-ZIFCJYIRSA-N 2 1 319.468 3.001 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083269 1104376954 /nfs/dbraw/zinc/37/69/54/1104376954.db2.gz GPQAVHOKWAZWBH-HUBLWGQQSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083269 1104376965 /nfs/dbraw/zinc/37/69/65/1104376965.db2.gz GPQAVHOKWAZWBH-HUBLWGQQSA-N 2 1 300.368 3.367 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[NH2+]1 ZINC001246091954 1104379848 /nfs/dbraw/zinc/37/98/48/1104379848.db2.gz BNLUTJCGTAXGMR-UNEWFSDZSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001246096754 1104385173 /nfs/dbraw/zinc/38/51/73/1104385173.db2.gz FWPWGLJTUAWXDI-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001246096754 1104385183 /nfs/dbraw/zinc/38/51/83/1104385183.db2.gz FWPWGLJTUAWXDI-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@H]1CC[C@H](C)C[NH2+]1)CC2 ZINC001246102285 1104385812 /nfs/dbraw/zinc/38/58/12/1104385812.db2.gz CLTRHLMUDNWAHF-BFHYXJOUSA-N 2 1 322.880 3.184 20 0 DGADMP CCOC(=O)C[C@@]1([NH2+][C@H]2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC001246128375 1104398546 /nfs/dbraw/zinc/39/85/46/1104398546.db2.gz SMZBNQQTIFMJFG-LPHOPBHVSA-N 2 1 322.493 3.154 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@H]1C[NH2+]CC13CC3)CC2 ZINC001246130728 1104399378 /nfs/dbraw/zinc/39/93/78/1104399378.db2.gz JLFZRXJDBOGZOV-WFASDCNBSA-N 2 1 311.256 3.192 20 0 DGADMP CCOC(=O)C[C@@]1([NH2+]C2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC001246129260 1104399620 /nfs/dbraw/zinc/39/96/20/1104399620.db2.gz VFFBXHRNFMINLN-IBGZPJMESA-N 2 1 322.493 3.154 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246151572 1104407398 /nfs/dbraw/zinc/40/73/98/1104407398.db2.gz JESRVUUJFZTLAJ-ROUUACIJSA-N 2 1 320.477 3.048 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CCC2(CCC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246154877 1104408821 /nfs/dbraw/zinc/40/88/21/1104408821.db2.gz VMNIURJNFIDZET-KOHRHEQBSA-N 2 1 324.509 3.255 20 0 DGADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCCC[C@@]34C[NH2+]CCO4)C2)cc1 ZINC001246162438 1104411364 /nfs/dbraw/zinc/41/13/64/1104411364.db2.gz YEZLEWNQDQRNDG-IYWMVGAKSA-N 2 1 314.473 3.214 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC001246162635 1104411710 /nfs/dbraw/zinc/41/17/10/1104411710.db2.gz GVFOCJPOXCOMMK-QWHCGFSZSA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246168740 1104414977 /nfs/dbraw/zinc/41/49/77/1104414977.db2.gz GOPIVWGVVLGOHU-MHORFTMASA-N 2 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246168740 1104414983 /nfs/dbraw/zinc/41/49/83/1104414983.db2.gz GOPIVWGVVLGOHU-MHORFTMASA-N 3 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246168740 1104414989 /nfs/dbraw/zinc/41/49/89/1104414989.db2.gz GOPIVWGVVLGOHU-MHORFTMASA-N 3 1 309.542 3.111 20 0 DGADMP Brc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC001246171010 1104417568 /nfs/dbraw/zinc/41/75/68/1104417568.db2.gz VNDRBZANJGDRAO-HOTGVXAUSA-N 2 1 323.278 3.038 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246184407 1104428242 /nfs/dbraw/zinc/42/82/42/1104428242.db2.gz KQYRVBTXMBTGLB-VQTJNVASSA-N 2 1 317.521 3.061 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246194674 1104431450 /nfs/dbraw/zinc/43/14/50/1104431450.db2.gz SOBFVPNMLUZNGC-GOSISDBHSA-N 3 1 309.542 3.401 20 0 DGADMP CCCC[C@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246194572 1104431845 /nfs/dbraw/zinc/43/18/45/1104431845.db2.gz JKXISMNSGXJZGZ-OALUTQOASA-N 2 1 303.494 3.019 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC001246192801 1104432394 /nfs/dbraw/zinc/43/23/94/1104432394.db2.gz CBUPIUFBCVRMED-KCXAZCMYSA-N 2 1 306.425 3.406 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001246199608 1104433541 /nfs/dbraw/zinc/43/35/41/1104433541.db2.gz KXINUHUNVBGYFD-YESZJQIVSA-N 2 1 312.498 3.256 20 0 DGADMP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246199793 1104433848 /nfs/dbraw/zinc/43/38/48/1104433848.db2.gz LHURAEFVUAMDAF-DLBZAZTESA-N 2 1 322.493 3.010 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001246213702 1104438599 /nfs/dbraw/zinc/43/85/99/1104438599.db2.gz ZULXOEHNNDOWHF-IBGZPJMESA-N 2 1 322.452 3.204 20 0 DGADMP CCC[C@H]1CC[C@H](C2CCC([NH2+][C@H]3CN[C@H](CO)C3)CC2)CC1 ZINC001246211453 1104438826 /nfs/dbraw/zinc/43/88/26/1104438826.db2.gz JUDBOAPIFZKJRN-YCCGKSDXSA-N 2 1 322.537 3.464 20 0 DGADMP CCC[C@H]1CC[C@H](C2CCC([NH2+][C@H]3C[NH2+][C@H](CO)C3)CC2)CC1 ZINC001246211453 1104438831 /nfs/dbraw/zinc/43/88/31/1104438831.db2.gz JUDBOAPIFZKJRN-YCCGKSDXSA-N 2 1 322.537 3.464 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC001246213417 1104438977 /nfs/dbraw/zinc/43/89/77/1104438977.db2.gz UWPSTFLERJCGAK-RYUDHWBXSA-N 2 1 315.230 3.208 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F)CC2 ZINC001246219302 1104441572 /nfs/dbraw/zinc/44/15/72/1104441572.db2.gz GYPPXBZJAQUXQO-IAGOWNOFSA-N 2 1 308.416 3.077 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC001246219247 1104441590 /nfs/dbraw/zinc/44/15/90/1104441590.db2.gz GPHISWBGJFWGRI-NSHDSACASA-N 2 1 320.330 3.345 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC001246223093 1104444621 /nfs/dbraw/zinc/44/46/21/1104444621.db2.gz VCAVBQFZXVVINW-VXGBXAGGSA-N 2 1 320.330 3.345 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)c1C(F)(F)F ZINC001246232218 1104448771 /nfs/dbraw/zinc/44/87/71/1104448771.db2.gz HYYQBJQXTJDQFT-GFCCVEGCSA-N 2 1 316.367 3.334 20 0 DGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246235570 1104450266 /nfs/dbraw/zinc/45/02/66/1104450266.db2.gz YUWLWPXPTNGEGU-ZIAGYGMSSA-N 2 1 314.445 3.310 20 0 DGADMP COC(=O)[C@H](CC1CCCCC1)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246238708 1104452459 /nfs/dbraw/zinc/45/24/59/1104452459.db2.gz GDZYMNLLTPFRMO-SJORKVTESA-N 2 1 322.493 3.010 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246257699 1104462418 /nfs/dbraw/zinc/46/24/18/1104462418.db2.gz IABPSMHYHOHVRU-YVSFHVDLSA-N 2 1 310.869 3.272 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246294810 1104477102 /nfs/dbraw/zinc/47/71/02/1104477102.db2.gz NDZNZCVBLAKAJC-BXUZGUMPSA-N 2 1 309.251 3.168 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298375 1104479509 /nfs/dbraw/zinc/47/95/09/1104479509.db2.gz AIFXVDYXWQSCJA-QYZOEREBSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298375 1104479510 /nfs/dbraw/zinc/47/95/10/1104479510.db2.gz AIFXVDYXWQSCJA-QYZOEREBSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246310444 1104482106 /nfs/dbraw/zinc/48/21/06/1104482106.db2.gz CPSGUKXGPTWZML-PMACEKPBSA-N 2 1 324.468 3.450 20 0 DGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001246307942 1104482133 /nfs/dbraw/zinc/48/21/33/1104482133.db2.gz HWMOXKCZDYZVCZ-BWGCIZRJSA-N 3 1 321.553 3.286 20 0 DGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001246307939 1104482563 /nfs/dbraw/zinc/48/25/63/1104482563.db2.gz HWMOXKCZDYZVCZ-BVMALAMASA-N 3 1 321.553 3.286 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)ccc1F ZINC001246315269 1104485555 /nfs/dbraw/zinc/48/55/55/1104485555.db2.gz CHYSBNPNUUKBRL-OAHLLOKOSA-N 2 1 306.425 3.379 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)CN1 ZINC001246316386 1104486103 /nfs/dbraw/zinc/48/61/03/1104486103.db2.gz NJTFACJXYFDHGD-MFKMUULPSA-N 2 1 304.331 3.117 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC001246316386 1104486107 /nfs/dbraw/zinc/48/61/07/1104486107.db2.gz NJTFACJXYFDHGD-MFKMUULPSA-N 2 1 304.331 3.117 20 0 DGADMP CC1(C)CC[NH2+]C[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246330935 1104494951 /nfs/dbraw/zinc/49/49/51/1104494951.db2.gz MIHQDKZUOAMXKM-RBUKOAKNSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246333578 1104495746 /nfs/dbraw/zinc/49/57/46/1104495746.db2.gz VVGFMMZHNYIWSX-CXAGYDPISA-N 2 1 307.869 3.039 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001246334130 1104495987 /nfs/dbraw/zinc/49/59/87/1104495987.db2.gz YUZLKPIXVOOMGJ-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246333979 1104496200 /nfs/dbraw/zinc/49/62/00/1104496200.db2.gz SYZOAZRERYPYLA-ZWKOTPCHSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246344337 1104498849 /nfs/dbraw/zinc/49/88/49/1104498849.db2.gz INUKRHYROVAYNB-INIZCTEOSA-N 2 1 309.885 3.272 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246346277 1104500101 /nfs/dbraw/zinc/50/01/01/1104500101.db2.gz RHAOLWSWIHPGKH-MSOLQXFVSA-N 2 1 317.521 3.393 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001246345721 1104500977 /nfs/dbraw/zinc/50/09/77/1104500977.db2.gz HEECVQXCCDEJDG-MBNYWOFBSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345721 1104500986 /nfs/dbraw/zinc/50/09/86/1104500986.db2.gz HEECVQXCCDEJDG-MBNYWOFBSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246347544 1104502611 /nfs/dbraw/zinc/50/26/11/1104502611.db2.gz UHECGRZAMSAMRR-FZMZJTMJSA-N 2 1 313.283 3.343 20 0 DGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)N2 ZINC001246351339 1104504149 /nfs/dbraw/zinc/50/41/49/1104504149.db2.gz MNQHDHWBRRFNBC-MSOLQXFVSA-N 2 1 313.489 3.410 20 0 DGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)N2 ZINC001246351339 1104504156 /nfs/dbraw/zinc/50/41/56/1104504156.db2.gz MNQHDHWBRRFNBC-MSOLQXFVSA-N 2 1 313.489 3.410 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246359909 1104508268 /nfs/dbraw/zinc/50/82/68/1104508268.db2.gz DLBNMZPQOPHBTG-HFCFLWKCSA-N 3 1 307.526 3.151 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246359909 1104508276 /nfs/dbraw/zinc/50/82/76/1104508276.db2.gz DLBNMZPQOPHBTG-HFCFLWKCSA-N 3 1 307.526 3.151 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OCC)cc2)CC[NH2+]1 ZINC001246364004 1104509232 /nfs/dbraw/zinc/50/92/32/1104509232.db2.gz RNLPSFHQLAVRKZ-ZWKOTPCHSA-N 2 1 318.461 3.264 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246364712 1104509747 /nfs/dbraw/zinc/50/97/47/1104509747.db2.gz UNXKKISUAULMLL-HBFSDRIKSA-N 2 1 315.505 3.332 20 0 DGADMP FC(F)(F)c1cccc(CC2(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246382913 1104519633 /nfs/dbraw/zinc/51/96/33/1104519633.db2.gz GJDOJPVODQXBDZ-OAHLLOKOSA-N 2 1 312.379 3.370 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccncc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246398760 1104526121 /nfs/dbraw/zinc/52/61/21/1104526121.db2.gz WJMRLJWHLBEDLY-IXPVHAAZSA-N 2 1 313.367 3.282 20 0 DGADMP CCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246403256 1104527422 /nfs/dbraw/zinc/52/74/22/1104527422.db2.gz CBNLGXCXNUAQSA-RDJZCZTQSA-N 2 1 306.450 3.006 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402189 1104528127 /nfs/dbraw/zinc/52/81/27/1104528127.db2.gz KMUVPPVQCMXNER-LEUOFYLZSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1C[C@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402189 1104528130 /nfs/dbraw/zinc/52/81/30/1104528130.db2.gz KMUVPPVQCMXNER-LEUOFYLZSA-N 2 1 319.468 3.038 20 0 DGADMP CCCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246405034 1104529064 /nfs/dbraw/zinc/52/90/64/1104529064.db2.gz KBNAPYORAPRXIB-WMZOPIPTSA-N 2 1 320.477 3.396 20 0 DGADMP CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246430694 1104535882 /nfs/dbraw/zinc/53/58/82/1104535882.db2.gz HELQMNCQYFWZAB-CYBMUJFWSA-N 2 1 300.368 3.368 20 0 DGADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCCNC1 ZINC001246439903 1104540058 /nfs/dbraw/zinc/54/00/58/1104540058.db2.gz BZGMNQVZXRSBEU-VAMGGRTRSA-N 2 1 315.505 3.209 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCCNC1 ZINC001246439903 1104540069 /nfs/dbraw/zinc/54/00/69/1104540069.db2.gz BZGMNQVZXRSBEU-VAMGGRTRSA-N 2 1 315.505 3.209 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1C(F)(F)F ZINC001246441629 1104541777 /nfs/dbraw/zinc/54/17/77/1104541777.db2.gz NOEFDUPAPPWLMS-AAEUAGOBSA-N 2 1 316.367 3.334 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246446544 1104541826 /nfs/dbraw/zinc/54/18/26/1104541826.db2.gz LXWQCMSYVSTNKQ-BCDXTJNWSA-N 3 1 307.526 3.198 20 0 DGADMP CCC[C@@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC001246456973 1104545177 /nfs/dbraw/zinc/54/51/77/1104545177.db2.gz QJIFKFNTWOBZKN-IHPCNDPISA-N 2 1 315.505 3.161 20 0 DGADMP c1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)CS2 ZINC001246461646 1104549288 /nfs/dbraw/zinc/54/92/88/1104549288.db2.gz OQFGEVQANCDMQM-SJLPKXTDSA-N 2 1 302.487 3.215 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246475519 1104557332 /nfs/dbraw/zinc/55/73/32/1104557332.db2.gz UFEBBGSRFLZUIF-QKLQHJQFSA-N 2 1 307.441 3.279 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001246488862 1104562662 /nfs/dbraw/zinc/56/26/62/1104562662.db2.gz ONWUHBGZZVBLIZ-HIFRSBDPSA-N 2 1 314.807 3.032 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246507523 1104569769 /nfs/dbraw/zinc/56/97/69/1104569769.db2.gz YJLGKDVAGRVCOY-OCCSQVGLSA-N 2 1 318.383 3.479 20 0 DGADMP CCc1ccc(C[C@H](C)N[C@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509901 1104569985 /nfs/dbraw/zinc/56/99/85/1104569985.db2.gz KKPFNRSLSLTGGZ-MGPUTAFESA-N 2 1 312.457 3.478 20 0 DGADMP [NH3+]C[C@@H](NC1CCN(c2cccc(F)c2)CC1)c1ccccc1 ZINC001246508674 1104570218 /nfs/dbraw/zinc/57/02/18/1104570218.db2.gz WPNDWBHJBJLTBH-LJQANCHMSA-N 2 1 313.420 3.084 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c1 ZINC001246521705 1104576194 /nfs/dbraw/zinc/57/61/94/1104576194.db2.gz PYNYIZYBLOWSMH-MOPGFXCFSA-N 2 1 315.505 3.202 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC001246520622 1104576484 /nfs/dbraw/zinc/57/64/84/1104576484.db2.gz UELKGGWTGSWRFP-IEBWSBKVSA-N 2 1 301.478 3.119 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC001246530459 1104578946 /nfs/dbraw/zinc/57/89/46/1104578946.db2.gz YLIGPHIQRJQXBU-CEXWTWQISA-N 2 1 315.505 3.142 20 0 DGADMP Clc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246530646 1104580110 /nfs/dbraw/zinc/58/01/10/1104580110.db2.gz OUDQZBSDGYVNBH-VQFNDLOPSA-N 2 1 319.880 3.135 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3C)CC2)C[C@H](CC)[NH2+]1 ZINC001246536959 1104581879 /nfs/dbraw/zinc/58/18/79/1104581879.db2.gz HRYXYQGEIJAMJA-BWTSREIZSA-N 2 1 315.505 3.426 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246535588 1104582106 /nfs/dbraw/zinc/58/21/06/1104582106.db2.gz IZXNHUVSXKLDMR-DOTOQJQBSA-N 2 1 304.478 3.479 20 0 DGADMP Clc1ccc(C2=CC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246536125 1104582266 /nfs/dbraw/zinc/58/22/66/1104582266.db2.gz MTEYDJMXLGJJQJ-ALXJQNPVSA-N 2 1 302.849 3.427 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539989 1104584346 /nfs/dbraw/zinc/58/43/46/1104584346.db2.gz JEPKNQQPVYVVBW-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP Cc1ccccc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246542682 1104586303 /nfs/dbraw/zinc/58/63/03/1104586303.db2.gz XCVODJCCNJJILP-IEBWSBKVSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246543597 1104586561 /nfs/dbraw/zinc/58/65/61/1104586561.db2.gz UVPJYKPKACDOFE-GXTWGEPZSA-N 2 1 316.367 3.329 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246542146 1104586630 /nfs/dbraw/zinc/58/66/30/1104586630.db2.gz WOFDPXRXLQFLNP-LBPRGKRZSA-N 2 1 317.285 3.273 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001246545524 1104587631 /nfs/dbraw/zinc/58/76/31/1104587631.db2.gz BQMSRLZEOUSXPD-KSZLIROESA-N 2 1 306.425 3.060 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCN1 ZINC001246551041 1104591364 /nfs/dbraw/zinc/59/13/64/1104591364.db2.gz KAPHXLJOCKOYLZ-WDSOQIARSA-N 2 1 319.468 3.131 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCN1 ZINC001246551041 1104591371 /nfs/dbraw/zinc/59/13/71/1104591371.db2.gz KAPHXLJOCKOYLZ-WDSOQIARSA-N 2 1 319.468 3.131 20 0 DGADMP F[C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246554918 1104593435 /nfs/dbraw/zinc/59/34/35/1104593435.db2.gz FJIBHPJNUMWQLJ-CQSZACIVSA-N 2 1 304.400 3.368 20 0 DGADMP F[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246554918 1104593441 /nfs/dbraw/zinc/59/34/41/1104593441.db2.gz FJIBHPJNUMWQLJ-CQSZACIVSA-N 2 1 304.400 3.368 20 0 DGADMP CC(C)(C)C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275050297 1104593705 /nfs/dbraw/zinc/59/37/05/1104593705.db2.gz BDPWWBSNWSMZIW-UHFFFAOYSA-N 2 1 304.482 3.134 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246564521 1104597022 /nfs/dbraw/zinc/59/70/22/1104597022.db2.gz XQLXFIUVSXOPQL-LALPHHSUSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246564521 1104597024 /nfs/dbraw/zinc/59/70/24/1104597024.db2.gz XQLXFIUVSXOPQL-LALPHHSUSA-N 2 1 316.367 3.185 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001246564866 1104598460 /nfs/dbraw/zinc/59/84/60/1104598460.db2.gz GODPIGVXLUJQSF-SOLBZPMBSA-N 2 1 304.478 3.323 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564331 1104598501 /nfs/dbraw/zinc/59/85/01/1104598501.db2.gz MVLOCZWRZFKRQD-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564331 1104598508 /nfs/dbraw/zinc/59/85/08/1104598508.db2.gz MVLOCZWRZFKRQD-RLLQIKCJSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564331 1104598514 /nfs/dbraw/zinc/59/85/14/1104598514.db2.gz MVLOCZWRZFKRQD-RLLQIKCJSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246564331 1104598519 /nfs/dbraw/zinc/59/85/19/1104598519.db2.gz MVLOCZWRZFKRQD-RLLQIKCJSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564331 1104598524 /nfs/dbraw/zinc/59/85/24/1104598524.db2.gz MVLOCZWRZFKRQD-RLLQIKCJSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CCC[C@@H]1C[NH3+] ZINC001246567490 1104599133 /nfs/dbraw/zinc/59/91/33/1104599133.db2.gz LAZXHZCPGIOVNR-IOASZLSFSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246575710 1104601511 /nfs/dbraw/zinc/60/15/11/1104601511.db2.gz LADLQZLBXYQJGU-QAPCUYQASA-N 2 1 308.416 3.273 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001246574854 1104602387 /nfs/dbraw/zinc/60/23/87/1104602387.db2.gz JHVQWFKOLLFRCX-DOTOQJQBSA-N 2 1 308.853 3.094 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001246578554 1104604179 /nfs/dbraw/zinc/60/41/79/1104604179.db2.gz RZFOBIGPOWPCJS-IBGZPJMESA-N 2 1 319.468 3.245 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001246582846 1104605330 /nfs/dbraw/zinc/60/53/30/1104605330.db2.gz HSEOISVHHWORCH-IBGZPJMESA-N 2 1 301.478 3.106 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001246586354 1104606263 /nfs/dbraw/zinc/60/62/63/1104606263.db2.gz UDBRXIQNXBCJJD-HXUWFJFHSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001246586354 1104606266 /nfs/dbraw/zinc/60/62/66/1104606266.db2.gz UDBRXIQNXBCJJD-HXUWFJFHSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001246584434 1104606622 /nfs/dbraw/zinc/60/66/22/1104606622.db2.gz MSRRZWGCGHKSDW-LJQANCHMSA-N 2 1 319.468 3.245 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@](C)(C[NH3+])C1)C2 ZINC001246583335 1104606736 /nfs/dbraw/zinc/60/67/36/1104606736.db2.gz JRKKDCYCZABITH-APWZRJJASA-N 2 1 302.462 3.003 20 0 DGADMP C[N@@H+](Cc1cccc(Br)c1)C1CCC2(C[NH2+]C2)CC1 ZINC001246587256 1104607904 /nfs/dbraw/zinc/60/79/04/1104607904.db2.gz QHRZBRKIGRXAIM-UHFFFAOYSA-N 2 1 323.278 3.413 20 0 DGADMP C[C@@H]1C[C@H](N2CCCC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593933 1104612161 /nfs/dbraw/zinc/61/21/61/1104612161.db2.gz PEFXWTQWYHAJHA-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593933 1104612166 /nfs/dbraw/zinc/61/21/66/1104612166.db2.gz PEFXWTQWYHAJHA-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593933 1104612170 /nfs/dbraw/zinc/61/21/70/1104612170.db2.gz PEFXWTQWYHAJHA-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP CC(C)[N@@H+]([C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246595944 1104613672 /nfs/dbraw/zinc/61/36/72/1104613672.db2.gz UHVZCPGICJTHBM-MSOLQXFVSA-N 3 1 307.526 3.294 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246595944 1104613676 /nfs/dbraw/zinc/61/36/76/1104613676.db2.gz UHVZCPGICJTHBM-MSOLQXFVSA-N 2 1 307.526 3.294 20 0 DGADMP CCN1CCC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246596639 1104614757 /nfs/dbraw/zinc/61/47/57/1104614757.db2.gz QHZABOJHTUPTPJ-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP COc1cccc(C[C@H](C)[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001246595956 1104615056 /nfs/dbraw/zinc/61/50/56/1104615056.db2.gz UHWJAXDEZFJJKE-FUHWJXTLSA-N 2 1 304.478 3.479 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](C)CCCC(C)C)CC[NH2+]CC2 ZINC001246600041 1104615802 /nfs/dbraw/zinc/61/58/02/1104615802.db2.gz FDICOESOQCHRRA-IRXDYDNUSA-N 2 1 324.509 3.208 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246603671 1104619688 /nfs/dbraw/zinc/61/96/88/1104619688.db2.gz FPAIPVSQQQNBLR-MAUKXSAKSA-N 2 1 304.865 3.415 20 0 DGADMP C1CC2(C[NH2+]1)CCC([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)CC2 ZINC001246604265 1104620605 /nfs/dbraw/zinc/62/06/05/1104620605.db2.gz KHRFYNNGBPYWJH-MHJFOBGBSA-N 3 1 319.537 3.155 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246605513 1104622461 /nfs/dbraw/zinc/62/24/61/1104622461.db2.gz KSNCZTAQLPMRKK-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246607953 1104623864 /nfs/dbraw/zinc/62/38/64/1104623864.db2.gz GHOBMEZVUFVYCF-INIZCTEOSA-N 2 1 310.482 3.107 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610145 1104623925 /nfs/dbraw/zinc/62/39/25/1104623925.db2.gz KWHOTWBFIWHNJN-QAPCUYQASA-N 2 1 304.865 3.273 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611395 1104625705 /nfs/dbraw/zinc/62/57/05/1104625705.db2.gz UPTPOUIHMFJEAA-FUMNGEBKSA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611395 1104625708 /nfs/dbraw/zinc/62/57/08/1104625708.db2.gz UPTPOUIHMFJEAA-FUMNGEBKSA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611395 1104625713 /nfs/dbraw/zinc/62/57/13/1104625713.db2.gz UPTPOUIHMFJEAA-FUMNGEBKSA-N 3 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611395 1104625717 /nfs/dbraw/zinc/62/57/17/1104625717.db2.gz UPTPOUIHMFJEAA-FUMNGEBKSA-N 2 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611395 1104625721 /nfs/dbraw/zinc/62/57/21/1104625721.db2.gz UPTPOUIHMFJEAA-FUMNGEBKSA-N 2 1 319.537 3.248 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610146 1104626670 /nfs/dbraw/zinc/62/66/70/1104626670.db2.gz KWHOTWBFIWHNJN-YJBOKZPZSA-N 2 1 304.865 3.273 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246610915 1104626813 /nfs/dbraw/zinc/62/68/13/1104626813.db2.gz SLHXZCTVYJZYMB-VQIMIIECSA-N 2 1 302.462 3.092 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615741 1104629990 /nfs/dbraw/zinc/62/99/90/1104629990.db2.gz SISSOTNWTGTSNI-OALUTQOASA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615741 1104629993 /nfs/dbraw/zinc/62/99/93/1104629993.db2.gz SISSOTNWTGTSNI-OALUTQOASA-N 2 1 302.437 3.291 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620705 1104630948 /nfs/dbraw/zinc/63/09/48/1104630948.db2.gz OAQDNOHCFKQNQV-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620705 1104630955 /nfs/dbraw/zinc/63/09/55/1104630955.db2.gz OAQDNOHCFKQNQV-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620695 1104631348 /nfs/dbraw/zinc/63/13/48/1104631348.db2.gz OAQDNOHCFKQNQV-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620695 1104631350 /nfs/dbraw/zinc/63/13/50/1104631350.db2.gz OAQDNOHCFKQNQV-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246624203 1104632983 /nfs/dbraw/zinc/63/29/83/1104632983.db2.gz CPLPPILNXCZVNA-LYBXBRPPSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246627835 1104634491 /nfs/dbraw/zinc/63/44/91/1104634491.db2.gz AGNYBWKRRMICHE-PXNSSMCTSA-N 2 1 314.473 3.161 20 0 DGADMP CCCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)nn3C)(C1)CCC2 ZINC001275120252 1104634565 /nfs/dbraw/zinc/63/45/65/1104634565.db2.gz GRPGFCYLBKULQB-RBUKOAKNSA-N 2 1 318.509 3.443 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246626020 1104634607 /nfs/dbraw/zinc/63/46/07/1104634607.db2.gz QYFVTATXUCSZHM-SDDRHHMPSA-N 2 1 314.807 3.091 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246626020 1104634608 /nfs/dbraw/zinc/63/46/08/1104634608.db2.gz QYFVTATXUCSZHM-SDDRHHMPSA-N 2 1 314.807 3.091 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246627448 1104634643 /nfs/dbraw/zinc/63/46/43/1104634643.db2.gz JSHXLJCRYHKWLN-QFBILLFUSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246626290 1104634916 /nfs/dbraw/zinc/63/49/16/1104634916.db2.gz IPMJLZZOBTWJMH-AEGPPILISA-N 2 1 310.844 3.342 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246626705 1104635044 /nfs/dbraw/zinc/63/50/44/1104635044.db2.gz STSCMHJBVTYOMQ-SOUVJXGZSA-N 2 1 308.491 3.221 20 0 DGADMP Clc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246630532 1104636076 /nfs/dbraw/zinc/63/60/76/1104636076.db2.gz PGEFNCBSAFKXIB-CRAIPNDOSA-N 2 1 304.865 3.273 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CCC3(C[NH2+]C3)C1)C2 ZINC001246631749 1104637343 /nfs/dbraw/zinc/63/73/43/1104637343.db2.gz RTIJAGSAYRVWBB-ZDUSSCGKSA-N 2 1 311.256 3.146 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CCC3(C[NH2+]C3)C1)C2 ZINC001246631749 1104637344 /nfs/dbraw/zinc/63/73/44/1104637344.db2.gz RTIJAGSAYRVWBB-ZDUSSCGKSA-N 2 1 311.256 3.146 20 0 DGADMP Clc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246630540 1104637371 /nfs/dbraw/zinc/63/73/71/1104637371.db2.gz PGEFNCBSAFKXIB-QAPCUYQASA-N 2 1 304.865 3.273 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275127112 1104637883 /nfs/dbraw/zinc/63/78/83/1104637883.db2.gz VCYDDGAEVYNXOB-LJQANCHMSA-N 2 1 318.509 3.251 20 0 DGADMP CCCCCC[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275127112 1104637887 /nfs/dbraw/zinc/63/78/87/1104637887.db2.gz VCYDDGAEVYNXOB-LJQANCHMSA-N 2 1 318.509 3.251 20 0 DGADMP CCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275127112 1104637895 /nfs/dbraw/zinc/63/78/95/1104637895.db2.gz VCYDDGAEVYNXOB-LJQANCHMSA-N 2 1 318.509 3.251 20 0 DGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246635055 1104638370 /nfs/dbraw/zinc/63/83/70/1104638370.db2.gz JFKBCFPKIMMHFF-QUCCMNQESA-N 2 1 316.489 3.018 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246644697 1104642157 /nfs/dbraw/zinc/64/21/57/1104642157.db2.gz LHNGYCCIQQRVQA-WMZOPIPTSA-N 2 1 324.509 3.353 20 0 DGADMP C1CCC2(CC1)CCC[C@H]([N@H+]1CCOCC13CC[NH2+]CC3)C2 ZINC001246645255 1104644246 /nfs/dbraw/zinc/64/42/46/1104644246.db2.gz UKSGDOWSMZHHAK-KRWDZBQOSA-N 2 1 306.494 3.334 20 0 DGADMP c1ccc2[nH]c(C[N@@H+]3CCC4(C3)CC[NH+](CC3CC3)CC4)nc2c1 ZINC001275136959 1104645657 /nfs/dbraw/zinc/64/56/57/1104645657.db2.gz HJHWCUPWJRRCJS-UHFFFAOYSA-N 2 1 324.472 3.261 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246652675 1104649249 /nfs/dbraw/zinc/64/92/49/1104649249.db2.gz HAYYKQRDZVKZDW-BZSNNMDCSA-N 3 1 307.526 3.007 20 0 DGADMP CCCCCC[C@@H](CCC)[N@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001246654695 1104649865 /nfs/dbraw/zinc/64/98/65/1104649865.db2.gz WPLNHPAFWJKAGC-IEBWSBKVSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@@H](CCC)[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246654695 1104649869 /nfs/dbraw/zinc/64/98/69/1104649869.db2.gz WPLNHPAFWJKAGC-IEBWSBKVSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@@H](CCC)[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246654695 1104649872 /nfs/dbraw/zinc/64/98/72/1104649872.db2.gz WPLNHPAFWJKAGC-IEBWSBKVSA-N 2 1 323.525 3.070 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC001246654214 1104649884 /nfs/dbraw/zinc/64/98/84/1104649884.db2.gz VWKDXMJEAMBFOW-PAXLWEDBSA-N 2 1 324.468 3.463 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC001246654214 1104649889 /nfs/dbraw/zinc/64/98/89/1104649889.db2.gz VWKDXMJEAMBFOW-PAXLWEDBSA-N 2 1 324.468 3.463 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](C1CCc3ccccc3CC1)C2 ZINC001246655833 1104650950 /nfs/dbraw/zinc/65/09/50/1104650950.db2.gz LFSAFPIPWIKCOL-RDJZCZTQSA-N 2 1 324.390 3.018 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661881 1104652271 /nfs/dbraw/zinc/65/22/71/1104652271.db2.gz HFMZUKZNNYPZDR-APHBMKBZSA-N 2 1 312.379 3.450 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)n(C)n1 ZINC001275155062 1104655110 /nfs/dbraw/zinc/65/51/10/1104655110.db2.gz HQLWPQGLXYPNQQ-AYHJJNSGSA-N 2 1 316.493 3.004 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)n(C)n1 ZINC001275155062 1104655114 /nfs/dbraw/zinc/65/51/14/1104655114.db2.gz HQLWPQGLXYPNQQ-AYHJJNSGSA-N 2 1 316.493 3.004 20 0 DGADMP CCOCC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673249 1104656977 /nfs/dbraw/zinc/65/69/77/1104656977.db2.gz LHILZKPRJRFVSI-QXAKKESOSA-N 2 1 302.462 3.023 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673249 1104656982 /nfs/dbraw/zinc/65/69/82/1104656982.db2.gz LHILZKPRJRFVSI-QXAKKESOSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676098 1104657409 /nfs/dbraw/zinc/65/74/09/1104657409.db2.gz CBYQJDGHIWWYQX-OCCSQVGLSA-N 2 1 312.379 3.178 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246679010 1104658465 /nfs/dbraw/zinc/65/84/65/1104658465.db2.gz QNIOGZZTPMLHMP-KURKYZTESA-N 2 1 316.464 3.395 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001246679290 1104658785 /nfs/dbraw/zinc/65/87/85/1104658785.db2.gz TUXOMIYVPTUOFL-WDSOQIARSA-N 2 1 316.489 3.338 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246678589 1104658956 /nfs/dbraw/zinc/65/89/56/1104658956.db2.gz OJWRQUWUWUYZGQ-NSHGMRRFSA-N 2 1 316.464 3.395 20 0 DGADMP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@H]4CCCC5(CCCCC5)C4)C[C@H]13)O2 ZINC001246683367 1104659986 /nfs/dbraw/zinc/65/99/86/1104659986.db2.gz IILDREBRGYTONU-PNYFIKQUSA-N 2 1 318.505 3.332 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001246691666 1104661657 /nfs/dbraw/zinc/66/16/57/1104661657.db2.gz LYGASNXTYVNRGS-KZNAEPCWSA-N 2 1 322.855 3.221 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001246691643 1104661865 /nfs/dbraw/zinc/66/18/65/1104661865.db2.gz LWOPKNUKDIGPBO-KFKAGJAMSA-N 2 1 320.452 3.040 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246689375 1104662152 /nfs/dbraw/zinc/66/21/52/1104662152.db2.gz JPWNZMPVJRHQGJ-HCXYKTFWSA-N 2 1 302.437 3.346 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246687773 1104662413 /nfs/dbraw/zinc/66/24/13/1104662413.db2.gz FVRXJNWAKHWJIM-CEXWTWQISA-N 2 1 304.453 3.421 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779942 1104670146 /nfs/dbraw/zinc/67/01/46/1104670146.db2.gz RLLCRAVBQQQJTJ-DLBZAZTESA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779942 1104670149 /nfs/dbraw/zinc/67/01/49/1104670149.db2.gz RLLCRAVBQQQJTJ-DLBZAZTESA-N 2 1 320.477 3.446 20 0 DGADMP CCC1(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)COC1 ZINC001275188864 1104671834 /nfs/dbraw/zinc/67/18/34/1104671834.db2.gz XSJSHTCYEHNNRL-IBGZPJMESA-N 2 1 306.494 3.144 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784339 1104673789 /nfs/dbraw/zinc/67/37/89/1104673789.db2.gz WXAFHIKCSAJCOL-ZOBUZTSGSA-N 2 1 324.415 3.195 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784339 1104673791 /nfs/dbraw/zinc/67/37/91/1104673791.db2.gz WXAFHIKCSAJCOL-ZOBUZTSGSA-N 2 1 324.415 3.195 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246786347 1104674915 /nfs/dbraw/zinc/67/49/15/1104674915.db2.gz NWFXWQMOGVPDOC-XUVXKRRUSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791563 1104677631 /nfs/dbraw/zinc/67/76/31/1104677631.db2.gz LJWUIOBIRGBKKH-ZDUSSCGKSA-N 2 1 323.278 3.066 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792563 1104677987 /nfs/dbraw/zinc/67/79/87/1104677987.db2.gz RBXFZKJABQDTKQ-OTWHNJEPSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792563 1104677991 /nfs/dbraw/zinc/67/79/91/1104677991.db2.gz RBXFZKJABQDTKQ-OTWHNJEPSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246795384 1104679667 /nfs/dbraw/zinc/67/96/67/1104679667.db2.gz AXYBPPVRQVJHPE-HZPDHXFCSA-N 2 1 322.493 3.105 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246803546 1104681980 /nfs/dbraw/zinc/68/19/80/1104681980.db2.gz ZJQWTBBQVQFDFO-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP CC[C@H]1C[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246803182 1104682186 /nfs/dbraw/zinc/68/21/86/1104682186.db2.gz MMWHNSDTGJGWPX-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246799861 1104682552 /nfs/dbraw/zinc/68/25/52/1104682552.db2.gz PBPBIICJFKUSSM-ZHALLVOQSA-N 2 1 317.477 3.236 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246812930 1104686893 /nfs/dbraw/zinc/68/68/93/1104686893.db2.gz FRLQCMVZHOQGLN-PKOBYXMFSA-N 2 1 302.462 3.092 20 0 DGADMP CC1(C)CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246814916 1104688548 /nfs/dbraw/zinc/68/85/48/1104688548.db2.gz ADAQBSIAVIVSNC-GOSISDBHSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246813985 1104689037 /nfs/dbraw/zinc/68/90/37/1104689037.db2.gz NKGGLOVPSLEPKL-NEPJUHHUSA-N 2 1 316.823 3.481 20 0 DGADMP CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275264807 1104697093 /nfs/dbraw/zinc/69/70/93/1104697093.db2.gz FNQHTMBKCMIABJ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275264807 1104697097 /nfs/dbraw/zinc/69/70/97/1104697097.db2.gz FNQHTMBKCMIABJ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275264807 1104697099 /nfs/dbraw/zinc/69/70/99/1104697099.db2.gz FNQHTMBKCMIABJ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275264807 1104697101 /nfs/dbraw/zinc/69/71/01/1104697101.db2.gz FNQHTMBKCMIABJ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835631 1104697228 /nfs/dbraw/zinc/69/72/28/1104697228.db2.gz KPONLSLWPSSQJS-HXUWFJFHSA-N 2 1 318.505 3.488 20 0 DGADMP CC[C@@H]1C[C@H](N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246841966 1104700492 /nfs/dbraw/zinc/70/04/92/1104700492.db2.gz SDAHFTVONNKOAL-AQNXPRMDSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@H]2CC1 ZINC001275278822 1104702473 /nfs/dbraw/zinc/70/24/73/1104702473.db2.gz PGYVQHAWXXJLQE-OKILXGFUSA-N 2 1 312.379 3.479 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CC1 ZINC001275278822 1104702480 /nfs/dbraw/zinc/70/24/80/1104702480.db2.gz PGYVQHAWXXJLQE-OKILXGFUSA-N 2 1 312.379 3.479 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CC1 ZINC001275278822 1104702492 /nfs/dbraw/zinc/70/24/92/1104702492.db2.gz PGYVQHAWXXJLQE-OKILXGFUSA-N 2 1 312.379 3.479 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843871 1104703567 /nfs/dbraw/zinc/70/35/67/1104703567.db2.gz WYLYQEYXSISYJE-OEYIWLLWSA-N 2 1 312.379 3.306 20 0 DGADMP C1OCC1[N@H+](C1CC[NH2+]CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246844158 1104703598 /nfs/dbraw/zinc/70/35/98/1104703598.db2.gz HCWVWNZIJWDYDA-QGZVFWFLSA-N 2 1 306.494 3.332 20 0 DGADMP C1OCC1[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246844158 1104703604 /nfs/dbraw/zinc/70/36/04/1104703604.db2.gz HCWVWNZIJWDYDA-QGZVFWFLSA-N 2 1 306.494 3.332 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845894 1104705228 /nfs/dbraw/zinc/70/52/28/1104705228.db2.gz MZSWGMGHJPANRT-IBGZPJMESA-N 2 1 316.489 3.241 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845894 1104705233 /nfs/dbraw/zinc/70/52/33/1104705233.db2.gz MZSWGMGHJPANRT-IBGZPJMESA-N 2 1 316.489 3.241 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850464 1104707427 /nfs/dbraw/zinc/70/74/27/1104707427.db2.gz KKGQPMTXJZCVTP-CADBVGFASA-N 2 1 321.553 3.492 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850464 1104707436 /nfs/dbraw/zinc/70/74/36/1104707436.db2.gz KKGQPMTXJZCVTP-CADBVGFASA-N 3 1 321.553 3.492 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850464 1104707444 /nfs/dbraw/zinc/70/74/44/1104707444.db2.gz KKGQPMTXJZCVTP-CADBVGFASA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850464 1104707450 /nfs/dbraw/zinc/70/74/50/1104707450.db2.gz KKGQPMTXJZCVTP-CADBVGFASA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850464 1104707458 /nfs/dbraw/zinc/70/74/58/1104707458.db2.gz KKGQPMTXJZCVTP-CADBVGFASA-N 3 1 321.553 3.492 20 0 DGADMP Cc1ccc(C)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275288136 1104707507 /nfs/dbraw/zinc/70/75/07/1104707507.db2.gz ZXHNMEMJIYYZFD-UHFFFAOYSA-N 2 1 324.472 3.125 20 0 DGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856166 1104709079 /nfs/dbraw/zinc/70/90/79/1104709079.db2.gz SEPHQPCKKWTTTK-DODZYUBVSA-N 2 1 324.509 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001246864207 1104710186 /nfs/dbraw/zinc/71/01/86/1104710186.db2.gz RAZAIZBUBDGIFM-BHIYHBOVSA-N 2 1 315.505 3.099 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246858139 1104710550 /nfs/dbraw/zinc/71/05/50/1104710550.db2.gz BQHKHZWUGVHXSX-GOSISDBHSA-N 2 1 316.489 3.482 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246856234 1104710759 /nfs/dbraw/zinc/71/07/59/1104710759.db2.gz ZWFXKAQCEZGYMK-IMBTUZDBSA-N 2 1 302.437 3.078 20 0 DGADMP CC1(C)C[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001246892935 1104725359 /nfs/dbraw/zinc/72/53/59/1104725359.db2.gz KJRYLGILDLLNSU-QZTJIDSGSA-N 2 1 316.489 3.239 20 0 DGADMP c1cc2c(cccc2N2CC[NH+]([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC001246897460 1104727718 /nfs/dbraw/zinc/72/77/18/1104727718.db2.gz KNGZEAFWNUUTGR-HNNXBMFYSA-N 2 1 315.486 3.165 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3c(cccc3OC)C2)C[C@H](CC)[NH2+]1 ZINC001246904601 1104729827 /nfs/dbraw/zinc/72/98/27/1104729827.db2.gz HMSNEWFXIMPURV-FVQHAEBGSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3c(cccc3OC)C2)C[C@H](CC)[NH2+]1 ZINC001246904601 1104729834 /nfs/dbraw/zinc/72/98/34/1104729834.db2.gz HMSNEWFXIMPURV-FVQHAEBGSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246904753 1104729962 /nfs/dbraw/zinc/72/99/62/1104729962.db2.gz YGXYDDPWGWXHRF-ARFHVFGLSA-N 2 1 324.509 3.349 20 0 DGADMP CC[C@H]1CC([N@@H+]2CCc3c(cccc3OC)C2)C[C@H](CC)[NH2+]1 ZINC001246904602 1104730267 /nfs/dbraw/zinc/73/02/67/1104730267.db2.gz HMSNEWFXIMPURV-HOTGVXAUSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@H]1CC([N@H+]2CCc3c(cccc3OC)C2)C[C@H](CC)[NH2+]1 ZINC001246904602 1104730272 /nfs/dbraw/zinc/73/02/72/1104730272.db2.gz HMSNEWFXIMPURV-HOTGVXAUSA-N 2 1 302.462 3.363 20 0 DGADMP CC[N@@H+](Cc1ccc(C)cc1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246905756 1104730286 /nfs/dbraw/zinc/73/02/86/1104730286.db2.gz BGFYVHCZLVYNAN-UHFFFAOYSA-N 2 1 302.462 3.118 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246905677 1104730368 /nfs/dbraw/zinc/73/03/68/1104730368.db2.gz FDJDWGLUSKVIMW-MTNOOBJLSA-N 2 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905677 1104730375 /nfs/dbraw/zinc/73/03/75/1104730375.db2.gz FDJDWGLUSKVIMW-MTNOOBJLSA-N 3 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905677 1104730382 /nfs/dbraw/zinc/73/03/82/1104730382.db2.gz FDJDWGLUSKVIMW-MTNOOBJLSA-N 3 1 319.468 3.129 20 0 DGADMP COc1cccc2c1CC[N@@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246908197 1104731708 /nfs/dbraw/zinc/73/17/08/1104731708.db2.gz WIEMOCPOCKPWEQ-QAPCUYQASA-N 2 1 302.462 3.220 20 0 DGADMP COc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246908197 1104731716 /nfs/dbraw/zinc/73/17/16/1104731716.db2.gz WIEMOCPOCKPWEQ-QAPCUYQASA-N 2 1 302.462 3.220 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246912619 1104733556 /nfs/dbraw/zinc/73/35/56/1104733556.db2.gz UKPOZBHGEKUAEU-NBDWZHNGSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246912364 1104733834 /nfs/dbraw/zinc/73/38/34/1104733834.db2.gz RWSJDJWAEKAECW-MQMXLAGYSA-N 3 1 315.505 3.288 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)c1 ZINC001246914088 1104735936 /nfs/dbraw/zinc/73/59/36/1104735936.db2.gz JONHZZFKRAHWED-JFIYKMOQSA-N 2 1 316.489 3.479 20 0 DGADMP CC[C@@H]1C[C@@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC)CC[NH2+]1 ZINC001246917691 1104736545 /nfs/dbraw/zinc/73/65/45/1104736545.db2.gz SDSZACJAQZZHQP-AABGKKOBSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918478 1104737457 /nfs/dbraw/zinc/73/74/57/1104737457.db2.gz FEDGJRKVKIWYJL-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H](Cc1ccncc1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918478 1104737463 /nfs/dbraw/zinc/73/74/63/1104737463.db2.gz FEDGJRKVKIWYJL-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246922934 1104738346 /nfs/dbraw/zinc/73/83/46/1104738346.db2.gz MQZVETUIASCCTP-QUCCMNQESA-N 2 1 316.489 3.482 20 0 DGADMP COCC[N@H+]([C@H](C)CCc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928321 1104739934 /nfs/dbraw/zinc/73/99/34/1104739934.db2.gz KANWFIMNEMDBRQ-IEBWSBKVSA-N 2 1 304.478 3.017 20 0 DGADMP COCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928321 1104739937 /nfs/dbraw/zinc/73/99/37/1104739937.db2.gz KANWFIMNEMDBRQ-IEBWSBKVSA-N 2 1 304.478 3.017 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246925637 1104740274 /nfs/dbraw/zinc/74/02/74/1104740274.db2.gz ZHZFABDFVRUSDO-IEBWSBKVSA-N 2 1 304.478 3.336 20 0 DGADMP Nc1cccc2c1CC[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246933417 1104742773 /nfs/dbraw/zinc/74/27/73/1104742773.db2.gz IONDWVLNQLMKID-FXAWDEMLSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246933417 1104742779 /nfs/dbraw/zinc/74/27/79/1104742779.db2.gz IONDWVLNQLMKID-FXAWDEMLSA-N 2 1 307.441 3.120 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CC2 ZINC001246937463 1104744293 /nfs/dbraw/zinc/74/42/93/1104744293.db2.gz ZHOVCDVIZJDKMA-XHSDSOJGSA-N 2 1 304.865 3.129 20 0 DGADMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246942890 1104745563 /nfs/dbraw/zinc/74/55/63/1104745563.db2.gz RIJRYESPXCMRDW-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCOC[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945402 1104746643 /nfs/dbraw/zinc/74/66/43/1104746643.db2.gz LPUFNOFZXLFMFR-KURKYZTESA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+]2CC=C(c3ccc(OC)cc3)CC2)CC[NH2+]1 ZINC001246946106 1104746689 /nfs/dbraw/zinc/74/66/89/1104746689.db2.gz FPNLQNZPFQSUBA-ROUUACIJSA-N 2 1 300.446 3.315 20 0 DGADMP COC1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246943768 1104747050 /nfs/dbraw/zinc/74/70/50/1104747050.db2.gz RLZBMVJWKIZDOU-JLAWEPINSA-N 2 1 320.452 3.337 20 0 DGADMP COC1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246943768 1104747054 /nfs/dbraw/zinc/74/70/54/1104747054.db2.gz RLZBMVJWKIZDOU-JLAWEPINSA-N 2 1 320.452 3.337 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246947618 1104748413 /nfs/dbraw/zinc/74/84/13/1104748413.db2.gz GHHJIQAWSCFQDA-ZWKOTPCHSA-N 2 1 319.468 3.114 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246947747 1104748469 /nfs/dbraw/zinc/74/84/69/1104748469.db2.gz XPXWFFNPZVWALC-UHFFFAOYSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@H+](C1CCNCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246947747 1104748475 /nfs/dbraw/zinc/74/84/75/1104748475.db2.gz XPXWFFNPZVWALC-UHFFFAOYSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCNCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246947747 1104748481 /nfs/dbraw/zinc/74/84/81/1104748481.db2.gz XPXWFFNPZVWALC-UHFFFAOYSA-N 2 1 307.526 3.009 20 0 DGADMP CCCCCC(CCCCC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246949803 1104749431 /nfs/dbraw/zinc/74/94/31/1104749431.db2.gz VFUYUHPQQYPZSQ-IRXDYDNUSA-N 2 1 312.498 3.338 20 0 DGADMP CCCCCC(CCCCC)[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246949803 1104749436 /nfs/dbraw/zinc/74/94/36/1104749436.db2.gz VFUYUHPQQYPZSQ-IRXDYDNUSA-N 2 1 312.498 3.338 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246949820 1104750142 /nfs/dbraw/zinc/75/01/42/1104750142.db2.gz QRNBSRLUHOJJHV-OALUTQOASA-N 2 1 315.505 3.202 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246965648 1104753824 /nfs/dbraw/zinc/75/38/24/1104753824.db2.gz HPCLUMCKUDEXSX-AOIWGVFYSA-N 2 1 317.477 3.236 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246966091 1104754084 /nfs/dbraw/zinc/75/40/84/1104754084.db2.gz TTYUQQQKUOZCED-MUGJNUQGSA-N 3 1 319.537 3.281 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)C[C@H](CC)[NH2+]1 ZINC001246964820 1104754303 /nfs/dbraw/zinc/75/43/03/1104754303.db2.gz FNCWGKSFCZEXCO-XMTFNYHQSA-N 2 1 317.477 3.152 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246965908 1104754354 /nfs/dbraw/zinc/75/43/54/1104754354.db2.gz RYKKZFKIOBYDKZ-SZMVWBNQSA-N 2 1 324.509 3.479 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246967964 1104755141 /nfs/dbraw/zinc/75/51/41/1104755141.db2.gz QCFHAUCANSBNNL-SWLSCSKDSA-N 2 1 316.367 3.187 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970697 1104755554 /nfs/dbraw/zinc/75/55/54/1104755554.db2.gz BWROHAWFTHOWSF-CJNGLKHVSA-N 2 1 304.865 3.271 20 0 DGADMP Fc1cccc2c1C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972553 1104756325 /nfs/dbraw/zinc/75/63/25/1104756325.db2.gz KJMNHUIJXAOACV-RHSMWYFYSA-N 2 1 302.437 3.147 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972679 1104756850 /nfs/dbraw/zinc/75/68/50/1104756850.db2.gz LJYATGMBNRYSOP-GUYCJALGSA-N 2 1 320.427 3.286 20 0 DGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246974070 1104757035 /nfs/dbraw/zinc/75/70/35/1104757035.db2.gz QDRUQCOVODEJEV-WDSOQIARSA-N 3 1 303.494 3.065 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246975228 1104757690 /nfs/dbraw/zinc/75/76/90/1104757690.db2.gz NRUYASFWMHHBPZ-WXYCVUISSA-N 2 1 312.379 3.306 20 0 DGADMP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@H](C)NC2)c1 ZINC001246974713 1104758244 /nfs/dbraw/zinc/75/82/44/1104758244.db2.gz RJJGMELGCZKVIJ-LEAZDLGRSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@H](C)NC2)c1 ZINC001246974713 1104758249 /nfs/dbraw/zinc/75/82/49/1104758249.db2.gz RJJGMELGCZKVIJ-LEAZDLGRSA-N 2 1 315.505 3.207 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976842 1104759666 /nfs/dbraw/zinc/75/96/66/1104759666.db2.gz YIIUFGJLORBSKG-KURKYZTESA-N 2 1 317.477 3.154 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976842 1104759671 /nfs/dbraw/zinc/75/96/71/1104759671.db2.gz YIIUFGJLORBSKG-KURKYZTESA-N 2 1 317.477 3.154 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246978384 1104760051 /nfs/dbraw/zinc/76/00/51/1104760051.db2.gz SSENDGJOBDLIBM-QGZVFWFLSA-N 2 1 320.427 3.429 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246981385 1104761254 /nfs/dbraw/zinc/76/12/54/1104761254.db2.gz VLTBSMGPBHYCKZ-SZMVWBNQSA-N 2 1 320.452 3.446 20 0 DGADMP C1CC([N@H+](C2CC[NH2+]CC2)[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246979684 1104761534 /nfs/dbraw/zinc/76/15/34/1104761534.db2.gz ZHKHNBGALQXHTB-SFHVURJKSA-N 3 1 305.510 3.048 20 0 DGADMP C1CC([N@@H+](C2CC[NH2+]CC2)[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246979684 1104761538 /nfs/dbraw/zinc/76/15/38/1104761538.db2.gz ZHKHNBGALQXHTB-SFHVURJKSA-N 3 1 305.510 3.048 20 0 DGADMP C1C[C@H]([N@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)CN1 ZINC001246979180 1104761565 /nfs/dbraw/zinc/76/15/65/1104761565.db2.gz NZOKTSDSIHPMGX-IBGZPJMESA-N 2 1 319.537 3.295 20 0 DGADMP C1C[C@H]([N@@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)CN1 ZINC001246979180 1104761571 /nfs/dbraw/zinc/76/15/71/1104761571.db2.gz NZOKTSDSIHPMGX-IBGZPJMESA-N 2 1 319.537 3.295 20 0 DGADMP C[C@@H]1CC(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246984303 1104762375 /nfs/dbraw/zinc/76/23/75/1104762375.db2.gz KYOXQBFZVPVMRX-BRSBDYLESA-N 2 1 315.505 3.110 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246993587 1104767783 /nfs/dbraw/zinc/76/77/83/1104767783.db2.gz OGERMQICALFVMX-UHFFFAOYSA-N 3 1 321.553 3.495 20 0 DGADMP CCCCN1CCC([N@H+](C)C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246993587 1104767786 /nfs/dbraw/zinc/76/77/86/1104767786.db2.gz OGERMQICALFVMX-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP CCCCN1CCC([N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246993587 1104767789 /nfs/dbraw/zinc/76/77/89/1104767789.db2.gz OGERMQICALFVMX-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246998895 1104770657 /nfs/dbraw/zinc/77/06/57/1104770657.db2.gz PISSARCUMZSZKH-JMSVASOKSA-N 2 1 311.267 3.192 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246998895 1104770661 /nfs/dbraw/zinc/77/06/61/1104770661.db2.gz PISSARCUMZSZKH-JMSVASOKSA-N 2 1 311.267 3.192 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001247000402 1104771549 /nfs/dbraw/zinc/77/15/49/1104771549.db2.gz MAVIAFURYBFZHT-RYRKJORJSA-N 2 1 302.462 3.089 20 0 DGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007571 1104774300 /nfs/dbraw/zinc/77/43/00/1104774300.db2.gz YJXCJIFVVDRMLF-QAPCUYQASA-N 2 1 319.468 3.035 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008017 1104774349 /nfs/dbraw/zinc/77/43/49/1104774349.db2.gz XQMJYEUTMZQUEO-KMFMINBZSA-N 2 1 319.880 3.454 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008017 1104774352 /nfs/dbraw/zinc/77/43/52/1104774352.db2.gz XQMJYEUTMZQUEO-KMFMINBZSA-N 2 1 319.880 3.454 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008956 1104775716 /nfs/dbraw/zinc/77/57/16/1104775716.db2.gz ZTZWSRSZHAOHQC-IFHSXWPFSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008956 1104775718 /nfs/dbraw/zinc/77/57/18/1104775718.db2.gz ZTZWSRSZHAOHQC-IFHSXWPFSA-N 2 1 317.864 3.206 20 0 DGADMP CCCCC[C@@H](CCC)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247009165 1104775921 /nfs/dbraw/zinc/77/59/21/1104775921.db2.gz OVNVDLHYCUEJBT-IAGOWNOFSA-N 2 1 324.509 3.210 20 0 DGADMP CNc1ccccc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275546346 1104802987 /nfs/dbraw/zinc/80/29/87/1104802987.db2.gz WZXXTEJTEDCSKO-UHFFFAOYSA-N 2 1 324.472 3.154 20 0 DGADMP Cc1ccc(-c2ccc(-c3noc([C@@H]([NH3+])CCC[NH3+])n3)cc2)cc1 ZINC001247508489 1104915938 /nfs/dbraw/zinc/91/59/38/1104915938.db2.gz RTWQDFXTJIKSQK-KRWDZBQOSA-N 2 1 322.412 3.451 20 0 DGADMP COc1cc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC001275815374 1104918795 /nfs/dbraw/zinc/91/87/95/1104918795.db2.gz UUGCMMFVILKTFJ-IBGZPJMESA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1 ZINC001275849139 1104931287 /nfs/dbraw/zinc/93/12/87/1104931287.db2.gz AFARDLHLMQTDLK-OYRHEFFESA-N 2 1 323.484 3.050 20 0 DGADMP Cc1ccsc1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001275860563 1104935121 /nfs/dbraw/zinc/93/51/21/1104935121.db2.gz BZZDXWBPRLOESD-MSOLQXFVSA-N 2 1 321.534 3.143 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275875415 1104940961 /nfs/dbraw/zinc/94/09/61/1104940961.db2.gz VMPYWTIAZNWCAE-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275875415 1104940965 /nfs/dbraw/zinc/94/09/65/1104940965.db2.gz VMPYWTIAZNWCAE-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275875415 1104940971 /nfs/dbraw/zinc/94/09/71/1104940971.db2.gz VMPYWTIAZNWCAE-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH3+])n2)c2ccccc12 ZINC001247693838 1104957843 /nfs/dbraw/zinc/95/78/43/1104957843.db2.gz UZMICHJOWXDNFL-INIZCTEOSA-N 2 1 310.401 3.327 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C(F)(F)F)ccn3)(C1)CCC2 ZINC001275947126 1104965416 /nfs/dbraw/zinc/96/54/16/1104965416.db2.gz PFHYMSHKPZGKDG-LSDHHAIUSA-N 2 1 313.367 3.255 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(C)cc1O ZINC001275971588 1104973722 /nfs/dbraw/zinc/97/37/22/1104973722.db2.gz PBKNQQSVVAJIIE-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)cc1O ZINC001275971588 1104973726 /nfs/dbraw/zinc/97/37/26/1104973726.db2.gz PBKNQQSVVAJIIE-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)cc1O ZINC001275971588 1104973729 /nfs/dbraw/zinc/97/37/29/1104973729.db2.gz PBKNQQSVVAJIIE-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275989840 1104979718 /nfs/dbraw/zinc/97/97/18/1104979718.db2.gz OSJHRZZUKVJGPO-DXPXIUTNSA-N 2 1 321.553 3.471 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC3(C1)CC[N@@H+](C1CCCC1)C3)C2 ZINC001276003341 1104985575 /nfs/dbraw/zinc/98/55/75/1104985575.db2.gz ITLQMQRKESEYGB-UHFFFAOYSA-N 2 1 310.485 3.352 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC3(C1)CC[N@H+](C1CCCC1)C3)C2 ZINC001276003341 1104985581 /nfs/dbraw/zinc/98/55/81/1104985581.db2.gz ITLQMQRKESEYGB-UHFFFAOYSA-N 2 1 310.485 3.352 20 0 DGADMP COC(C)(C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276026748 1104991269 /nfs/dbraw/zinc/99/12/69/1104991269.db2.gz LGYKORJFJFEPGV-UHFFFAOYSA-N 2 1 319.493 3.118 20 0 DGADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc[nH]c1 ZINC001276103290 1105016988 /nfs/dbraw/zinc/01/69/88/1105016988.db2.gz HSYGGZQQERCPAK-GOOCMWNKSA-N 2 1 315.383 3.442 20 0 DGADMP COc1cccc(Cl)c1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276110681 1105020133 /nfs/dbraw/zinc/02/01/33/1105020133.db2.gz NGJJTIQIAIDSKM-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1N ZINC000719899290 1105033185 /nfs/dbraw/zinc/03/31/85/1105033185.db2.gz YQQLDFMXPFRZFZ-VQTJNVASSA-N 2 1 315.505 3.100 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001276163933 1105034772 /nfs/dbraw/zinc/03/47/72/1105034772.db2.gz QBAGBNFTTMEQBA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001276163933 1105034780 /nfs/dbraw/zinc/03/47/80/1105034780.db2.gz QBAGBNFTTMEQBA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001276163933 1105034784 /nfs/dbraw/zinc/03/47/84/1105034784.db2.gz QBAGBNFTTMEQBA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1F ZINC001276188062 1105043230 /nfs/dbraw/zinc/04/32/30/1105043230.db2.gz YASMIMARPWGKIQ-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(F)c1 ZINC001276223434 1105053369 /nfs/dbraw/zinc/05/33/69/1105053369.db2.gz HTGUWKJEEGRACK-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP Cn1cnc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001276273268 1105070813 /nfs/dbraw/zinc/07/08/13/1105070813.db2.gz PSIWGRRMQCMJEJ-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])C3CCCCC3)n2)cc1 ZINC001248240987 1105077784 /nfs/dbraw/zinc/07/77/84/1105077784.db2.gz YMUYRAQTDJBHDR-MRXNPFEDSA-N 2 1 314.433 3.378 20 0 DGADMP Cc1cc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)ccc1Cl ZINC001248897438 1105188978 /nfs/dbraw/zinc/18/89/78/1105188978.db2.gz YOYHJFOHBCTNDS-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001249585757 1105322193 /nfs/dbraw/zinc/32/21/93/1105322193.db2.gz CHPJSYAHYNOHOX-UHFFFAOYSA-N 2 1 308.307 3.261 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137399451 1105513715 /nfs/dbraw/zinc/51/37/15/1105513715.db2.gz YHSYMXLCCUEGEJ-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@@H]2C1 ZINC001137396721 1105513874 /nfs/dbraw/zinc/51/38/74/1105513874.db2.gz OWSKIVSTRGUIAS-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]2C1 ZINC001137396721 1105513880 /nfs/dbraw/zinc/51/38/80/1105513880.db2.gz OWSKIVSTRGUIAS-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]2C1 ZINC001137396721 1105513887 /nfs/dbraw/zinc/51/38/87/1105513887.db2.gz OWSKIVSTRGUIAS-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001251769470 1105693898 /nfs/dbraw/zinc/69/38/98/1105693898.db2.gz TVTNHUYOCVFXCS-CIRFHOKZSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001251769470 1105693902 /nfs/dbraw/zinc/69/39/02/1105693902.db2.gz TVTNHUYOCVFXCS-CIRFHOKZSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001251769470 1105693906 /nfs/dbraw/zinc/69/39/06/1105693906.db2.gz TVTNHUYOCVFXCS-CIRFHOKZSA-N 2 1 322.518 3.051 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001252780925 1105829677 /nfs/dbraw/zinc/82/96/77/1105829677.db2.gz RBRUOOURNWQGIO-MRXNPFEDSA-N 2 1 322.518 3.197 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252780047 1105829732 /nfs/dbraw/zinc/82/97/32/1105829732.db2.gz MFCYLAQXLQBLBG-FUHWJXTLSA-N 2 1 320.477 3.117 20 0 DGADMP O[C@]1(C[NH+]2C3CCCC2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001252934937 1105856666 /nfs/dbraw/zinc/85/66/66/1105856666.db2.gz WONNSUUOLJSPQR-SOAGJPPSSA-N 2 1 314.473 3.030 20 0 DGADMP O[C@]1(C[NH+]2C3CCCC2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001252934937 1105856673 /nfs/dbraw/zinc/85/66/73/1105856673.db2.gz WONNSUUOLJSPQR-SOAGJPPSSA-N 2 1 314.473 3.030 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001253192685 1105901550 /nfs/dbraw/zinc/90/15/50/1105901550.db2.gz WWHOQNSSDMLSED-VQTJNVASSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1cccc(F)c1 ZINC001253211344 1105903413 /nfs/dbraw/zinc/90/34/13/1105903413.db2.gz FFKLTZLMLSWCCO-OALUTQOASA-N 2 1 322.468 3.349 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1cccc(F)c1 ZINC001253210468 1105903604 /nfs/dbraw/zinc/90/36/04/1105903604.db2.gz NQJZJBAJOLEFGN-MSOLQXFVSA-N 2 1 310.457 3.205 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001253549015 1105957167 /nfs/dbraw/zinc/95/71/67/1105957167.db2.gz KLFCEPJNEOHNEX-VQTJNVASSA-N 2 1 318.505 3.429 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001253553517 1105957844 /nfs/dbraw/zinc/95/78/44/1105957844.db2.gz HBYCGDQVKRPEPO-HXUWFJFHSA-N 2 1 318.505 3.224 20 0 DGADMP CCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001253563281 1105959318 /nfs/dbraw/zinc/95/93/18/1105959318.db2.gz JYUIZWZGPXMUPV-YZGWKJHDSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC001253748486 1105979419 /nfs/dbraw/zinc/97/94/19/1105979419.db2.gz IPSFSFDOGYXKHG-NEWSRXKRSA-N 2 1 318.505 3.141 20 0 DGADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCCOC2)CC1 ZINC001254368667 1106061494 /nfs/dbraw/zinc/06/14/94/1106061494.db2.gz TWWDVCBYXMMHMK-ZCFHBRKKSA-N 2 1 314.473 3.293 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCCOC2)CC1 ZINC001254372766 1106061979 /nfs/dbraw/zinc/06/19/79/1106061979.db2.gz YNTXKEWDHBYDCB-KZNAEPCWSA-N 2 1 306.425 3.077 20 0 DGADMP CCC[C@H](CCc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001254488993 1106079599 /nfs/dbraw/zinc/07/95/99/1106079599.db2.gz YSQIDJQCAXYGAR-HXUWFJFHSA-N 3 1 319.537 3.390 20 0 DGADMP CCC[C@H](CCc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001254488993 1106079603 /nfs/dbraw/zinc/07/96/03/1106079603.db2.gz YSQIDJQCAXYGAR-HXUWFJFHSA-N 3 1 319.537 3.390 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001254485356 1106079698 /nfs/dbraw/zinc/07/96/98/1106079698.db2.gz GNKPXLNZFHBCAQ-ZWKOTPCHSA-N 2 1 320.477 3.048 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254508819 1106080770 /nfs/dbraw/zinc/08/07/70/1106080770.db2.gz MJBITOGILKWSRK-HNNXBMFYSA-N 2 1 311.267 3.331 20 0 DGADMP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H]1CCC[N@@H+](C)CC1 ZINC001254500478 1106083118 /nfs/dbraw/zinc/08/31/18/1106083118.db2.gz HVWAMZKYZSFKGP-HOCLYGCPSA-N 2 1 315.461 3.196 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC001254509053 1106086788 /nfs/dbraw/zinc/08/67/88/1106086788.db2.gz UULHBKVMQBCOAK-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1OC ZINC001254523660 1106092644 /nfs/dbraw/zinc/09/26/44/1106092644.db2.gz QTMDPAMYQGLGTB-IRXDYDNUSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1OC ZINC001254523660 1106092650 /nfs/dbraw/zinc/09/26/50/1106092650.db2.gz QTMDPAMYQGLGTB-IRXDYDNUSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1OC ZINC001254523660 1106092654 /nfs/dbraw/zinc/09/26/54/1106092654.db2.gz QTMDPAMYQGLGTB-IRXDYDNUSA-N 2 1 318.461 3.325 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001254524642 1106093005 /nfs/dbraw/zinc/09/30/05/1106093005.db2.gz YFGVHDJBUKRDBO-SFHVURJKSA-N 2 1 302.462 3.262 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254524470 1106093102 /nfs/dbraw/zinc/09/31/02/1106093102.db2.gz CAOLGMFJPIUOKL-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254524470 1106093108 /nfs/dbraw/zinc/09/31/08/1106093108.db2.gz CAOLGMFJPIUOKL-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524470 1106093113 /nfs/dbraw/zinc/09/31/13/1106093113.db2.gz CAOLGMFJPIUOKL-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254531060 1106094889 /nfs/dbraw/zinc/09/48/89/1106094889.db2.gz CGFOWJSQAAVJJG-MSOLQXFVSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254531060 1106094895 /nfs/dbraw/zinc/09/48/95/1106094895.db2.gz CGFOWJSQAAVJJG-MSOLQXFVSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254531060 1106094902 /nfs/dbraw/zinc/09/49/02/1106094902.db2.gz CGFOWJSQAAVJJG-MSOLQXFVSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254531063 1106095426 /nfs/dbraw/zinc/09/54/26/1106095426.db2.gz CGFOWJSQAAVJJG-ZWKOTPCHSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254531063 1106095431 /nfs/dbraw/zinc/09/54/31/1106095431.db2.gz CGFOWJSQAAVJJG-ZWKOTPCHSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254531063 1106095438 /nfs/dbraw/zinc/09/54/38/1106095438.db2.gz CGFOWJSQAAVJJG-ZWKOTPCHSA-N 2 1 316.445 3.094 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001254533336 1106096420 /nfs/dbraw/zinc/09/64/20/1106096420.db2.gz KAKVICUZQVBBRM-JYJNAYRXSA-N 2 1 319.880 3.087 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001254533336 1106096426 /nfs/dbraw/zinc/09/64/26/1106096426.db2.gz KAKVICUZQVBBRM-JYJNAYRXSA-N 2 1 319.880 3.087 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001254533336 1106096431 /nfs/dbraw/zinc/09/64/31/1106096431.db2.gz KAKVICUZQVBBRM-JYJNAYRXSA-N 2 1 319.880 3.087 20 0 DGADMP CN(C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254533572 1106096885 /nfs/dbraw/zinc/09/68/85/1106096885.db2.gz MQQPXVDFWUZROC-KRWDZBQOSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001256569586 1106159603 /nfs/dbraw/zinc/15/96/03/1106159603.db2.gz KSHXCODKXLLLRE-HNNXBMFYSA-N 2 1 322.415 3.029 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001256569586 1106159606 /nfs/dbraw/zinc/15/96/06/1106159606.db2.gz KSHXCODKXLLLRE-HNNXBMFYSA-N 2 1 322.415 3.029 20 0 DGADMP C[N@H+](C1C[C@@H]2CC(=O)C[C@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254964067 1106161734 /nfs/dbraw/zinc/16/17/34/1106161734.db2.gz QOFFISDGUIQKET-HZPDHXFCSA-N 2 1 318.505 3.473 20 0 DGADMP C[N@@H+](C1C[C@@H]2CC(=O)C[C@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254964067 1106161737 /nfs/dbraw/zinc/16/17/37/1106161737.db2.gz QOFFISDGUIQKET-HZPDHXFCSA-N 2 1 318.505 3.473 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2Cc3ccccc3C2)CC1 ZINC001255018174 1106167043 /nfs/dbraw/zinc/16/70/43/1106167043.db2.gz HGERZVSJDKZUSX-KESTWPANSA-N 2 1 321.468 3.321 20 0 DGADMP Cc1cccc(N(C2Cc3ccccc3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001255028777 1106169937 /nfs/dbraw/zinc/16/99/37/1106169937.db2.gz DANFXULZBBPTCM-UHFFFAOYSA-N 2 1 307.441 3.116 20 0 DGADMP CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255100095 1106179173 /nfs/dbraw/zinc/17/91/73/1106179173.db2.gz RCAFTDHYDHXPJV-GOSISDBHSA-N 2 1 315.505 3.241 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123138 1106183911 /nfs/dbraw/zinc/18/39/11/1106183911.db2.gz YKACIDRQIJCLKF-MVBLQPKNSA-N 2 1 316.489 3.179 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255127391 1106185160 /nfs/dbraw/zinc/18/51/60/1106185160.db2.gz UXHPHQBPUYUHSZ-LWYYNNOASA-N 2 1 316.489 3.323 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255129714 1106186738 /nfs/dbraw/zinc/18/67/38/1106186738.db2.gz JLHPMQAVQUBJFA-OKYOBFRVSA-N 2 1 312.457 3.283 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255129714 1106186743 /nfs/dbraw/zinc/18/67/43/1106186743.db2.gz JLHPMQAVQUBJFA-OKYOBFRVSA-N 2 1 312.457 3.283 20 0 DGADMP CCCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001255325321 1106222619 /nfs/dbraw/zinc/22/26/19/1106222619.db2.gz GFBHGVAORJKTRL-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001255325321 1106222624 /nfs/dbraw/zinc/22/26/24/1106222624.db2.gz GFBHGVAORJKTRL-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001255325321 1106222625 /nfs/dbraw/zinc/22/26/25/1106222625.db2.gz GFBHGVAORJKTRL-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255338485 1106225657 /nfs/dbraw/zinc/22/56/57/1106225657.db2.gz ILNIBWVSEMYXOH-NVXWUHKLSA-N 2 1 310.482 3.092 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001255356461 1106231559 /nfs/dbraw/zinc/23/15/59/1106231559.db2.gz JJCQQEWREOXPMS-SJLPKXTDSA-N 2 1 322.493 3.059 20 0 DGADMP CN1CCCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383525 1106238658 /nfs/dbraw/zinc/23/86/58/1106238658.db2.gz LATGYQLIMWQOEU-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383525 1106238662 /nfs/dbraw/zinc/23/86/62/1106238662.db2.gz LATGYQLIMWQOEU-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCCC[C@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383525 1106238665 /nfs/dbraw/zinc/23/86/65/1106238665.db2.gz LATGYQLIMWQOEU-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@H]1CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383525 1106238667 /nfs/dbraw/zinc/23/86/67/1106238667.db2.gz LATGYQLIMWQOEU-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@H]1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383525 1106238671 /nfs/dbraw/zinc/23/86/71/1106238671.db2.gz LATGYQLIMWQOEU-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP [NH3+]Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255389753 1106239882 /nfs/dbraw/zinc/23/98/82/1106239882.db2.gz SATKDVAJHBWVQW-QGZVFWFLSA-N 2 1 310.445 3.007 20 0 DGADMP OC[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397406 1106240723 /nfs/dbraw/zinc/24/07/23/1106240723.db2.gz GGDUJQLEPAWCMA-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397406 1106240725 /nfs/dbraw/zinc/24/07/25/1106240725.db2.gz GGDUJQLEPAWCMA-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397406 1106240727 /nfs/dbraw/zinc/24/07/27/1106240727.db2.gz GGDUJQLEPAWCMA-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC001255395811 1106240741 /nfs/dbraw/zinc/24/07/41/1106240741.db2.gz DRSICQNJPPGLQW-WDSOQIARSA-N 2 1 302.462 3.198 20 0 DGADMP OC[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397408 1106241111 /nfs/dbraw/zinc/24/11/11/1106241111.db2.gz GGDUJQLEPAWCMA-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397408 1106241116 /nfs/dbraw/zinc/24/11/16/1106241116.db2.gz GGDUJQLEPAWCMA-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397408 1106241122 /nfs/dbraw/zinc/24/11/22/1106241122.db2.gz GGDUJQLEPAWCMA-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)O ZINC001255398991 1106242509 /nfs/dbraw/zinc/24/25/09/1106242509.db2.gz NUDONLHULQCHOR-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@]1(C)O ZINC001255398991 1106242513 /nfs/dbraw/zinc/24/25/13/1106242513.db2.gz NUDONLHULQCHOR-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@]1(C)O ZINC001255398991 1106242515 /nfs/dbraw/zinc/24/25/15/1106242515.db2.gz NUDONLHULQCHOR-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001255399436 1106243589 /nfs/dbraw/zinc/24/35/89/1106243589.db2.gz RVKWVFKFEOKOKM-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001255399436 1106243591 /nfs/dbraw/zinc/24/35/91/1106243591.db2.gz RVKWVFKFEOKOKM-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001255399436 1106243596 /nfs/dbraw/zinc/24/35/96/1106243596.db2.gz RVKWVFKFEOKOKM-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255402030 1106244854 /nfs/dbraw/zinc/24/48/54/1106244854.db2.gz ZTBARXIRGCZUMH-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255402030 1106244857 /nfs/dbraw/zinc/24/48/57/1106244857.db2.gz ZTBARXIRGCZUMH-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402030 1106244859 /nfs/dbraw/zinc/24/48/59/1106244859.db2.gz ZTBARXIRGCZUMH-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@@H+]1C ZINC001255404529 1106245181 /nfs/dbraw/zinc/24/51/81/1106245181.db2.gz JROMYSQYSUQBMA-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)[NH+]1C ZINC001255404529 1106245185 /nfs/dbraw/zinc/24/51/85/1106245185.db2.gz JROMYSQYSUQBMA-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)[NH+]1C ZINC001255404529 1106245187 /nfs/dbraw/zinc/24/51/87/1106245187.db2.gz JROMYSQYSUQBMA-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP CN(CC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402711 1106245218 /nfs/dbraw/zinc/24/52/18/1106245218.db2.gz ACSCISJVWATOLF-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409464 1106248253 /nfs/dbraw/zinc/24/82/53/1106248253.db2.gz YKSBOMQBOKYQFY-GOSISDBHSA-N 2 1 304.478 3.134 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409464 1106248258 /nfs/dbraw/zinc/24/82/58/1106248258.db2.gz YKSBOMQBOKYQFY-GOSISDBHSA-N 2 1 304.478 3.134 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409464 1106248260 /nfs/dbraw/zinc/24/82/60/1106248260.db2.gz YKSBOMQBOKYQFY-GOSISDBHSA-N 2 1 304.478 3.134 20 0 DGADMP C[N@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001255440434 1106250560 /nfs/dbraw/zinc/25/05/60/1106250560.db2.gz BUUNQNWZJFKKSO-HNNXBMFYSA-N 2 1 301.409 3.124 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255502421 1106260359 /nfs/dbraw/zinc/26/03/59/1106260359.db2.gz DSRZWCJAPTXZGF-FCCDEINASA-N 2 1 308.510 3.244 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255502421 1106260364 /nfs/dbraw/zinc/26/03/64/1106260364.db2.gz DSRZWCJAPTXZGF-FCCDEINASA-N 2 1 308.510 3.244 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255502421 1106260368 /nfs/dbraw/zinc/26/03/68/1106260368.db2.gz DSRZWCJAPTXZGF-FCCDEINASA-N 2 1 308.510 3.244 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255502421 1106260372 /nfs/dbraw/zinc/26/03/72/1106260372.db2.gz DSRZWCJAPTXZGF-FCCDEINASA-N 2 1 308.510 3.244 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCC2(CC1)OCCO2 ZINC001255628683 1106280603 /nfs/dbraw/zinc/28/06/03/1106280603.db2.gz XFGLIMSKEGIULQ-ZWKOTPCHSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC2(CC1)OCCO2 ZINC001255628683 1106280606 /nfs/dbraw/zinc/28/06/06/1106280606.db2.gz XFGLIMSKEGIULQ-ZWKOTPCHSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC2(CC1)OCCO2 ZINC001255628683 1106280607 /nfs/dbraw/zinc/28/06/07/1106280607.db2.gz XFGLIMSKEGIULQ-ZWKOTPCHSA-N 2 1 322.493 3.011 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001255663382 1106289044 /nfs/dbraw/zinc/28/90/44/1106289044.db2.gz GPJZWZHOSNLBIV-NPYXIHBLSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001255663382 1106289049 /nfs/dbraw/zinc/28/90/49/1106289049.db2.gz GPJZWZHOSNLBIV-NPYXIHBLSA-N 2 1 300.446 3.424 20 0 DGADMP COc1cccnc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255672442 1106292160 /nfs/dbraw/zinc/29/21/60/1106292160.db2.gz GNJOYQZDQDRYRF-MMNRESRNSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccnc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255672442 1106292162 /nfs/dbraw/zinc/29/21/62/1106292162.db2.gz GNJOYQZDQDRYRF-MMNRESRNSA-N 2 1 315.461 3.146 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255702113 1106298155 /nfs/dbraw/zinc/29/81/55/1106298155.db2.gz XPXMNQGQRZSKJG-SYQHCUMBSA-N 2 1 320.399 3.078 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001255749678 1106308176 /nfs/dbraw/zinc/30/81/76/1106308176.db2.gz WMOWAMHTDXTLJA-CYBMUJFWSA-N 2 1 305.422 3.061 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001255749678 1106308181 /nfs/dbraw/zinc/30/81/81/1106308181.db2.gz WMOWAMHTDXTLJA-CYBMUJFWSA-N 2 1 305.422 3.061 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001255862119 1106331529 /nfs/dbraw/zinc/33/15/29/1106331529.db2.gz DKYMNUJNOVLTRR-OAHLLOKOSA-N 3 1 323.500 3.232 20 0 DGADMP CC(C)N(C)Cc1nnc2n1CCC[N@@H+](C1CCCCCC1)C2 ZINC001255891003 1106339999 /nfs/dbraw/zinc/33/99/99/1106339999.db2.gz MEGGQRJRTHEHMS-UHFFFAOYSA-N 2 1 319.497 3.047 20 0 DGADMP CC(C)N(C)Cc1nnc2n1CCCN(C1CCCCCC1)C2 ZINC001255891003 1106340002 /nfs/dbraw/zinc/34/00/02/1106340002.db2.gz MEGGQRJRTHEHMS-UHFFFAOYSA-N 2 1 319.497 3.047 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC001255941532 1106343725 /nfs/dbraw/zinc/34/37/25/1106343725.db2.gz STTIIFSRUPTUTR-GFCCVEGCSA-N 2 1 314.271 3.054 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccc(OC)cn1)C1CC1 ZINC001255954012 1106349076 /nfs/dbraw/zinc/34/90/76/1106349076.db2.gz QVNJQNVJPYQJEZ-RDTXWAMCSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2ccncc2)CC1 ZINC001255957677 1106350237 /nfs/dbraw/zinc/35/02/37/1106350237.db2.gz UKCZODSQWMEAIK-INIZCTEOSA-N 2 1 305.466 3.045 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@@H+]([C@@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964636 1106351349 /nfs/dbraw/zinc/35/13/49/1106351349.db2.gz AEHDUCXAZXUOKE-JKSUJKDBSA-N 2 1 322.497 3.322 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@H+]([C@@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964636 1106351351 /nfs/dbraw/zinc/35/13/51/1106351351.db2.gz AEHDUCXAZXUOKE-JKSUJKDBSA-N 2 1 322.497 3.322 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001255972289 1106352852 /nfs/dbraw/zinc/35/28/52/1106352852.db2.gz OVPPVIWBOFAVPX-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001255972289 1106352855 /nfs/dbraw/zinc/35/28/55/1106352855.db2.gz OVPPVIWBOFAVPX-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP Fc1ccccc1CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071766 1106364445 /nfs/dbraw/zinc/36/44/45/1106364445.db2.gz NZUWQSQGEFIPRQ-UHFFFAOYSA-N 2 1 302.437 3.365 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001256155396 1106380661 /nfs/dbraw/zinc/38/06/61/1106380661.db2.gz GNMRQVIVEOIWTR-GJYPPUQNSA-N 2 1 304.478 3.335 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccccc2N2CCCCCC2)CC1 ZINC001256195065 1106388490 /nfs/dbraw/zinc/38/84/90/1106388490.db2.gz YPCPQUIZEGXIBR-UHFFFAOYSA-N 2 1 301.478 3.251 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccnc(F)c3)c(F)c2)CC1 ZINC001256195270 1106388951 /nfs/dbraw/zinc/38/89/51/1106388951.db2.gz IAJJWCCYINHVPT-UHFFFAOYSA-N 2 1 317.383 3.211 20 0 DGADMP COc1ccc(CC2(C[NH2+]C3CC[NH+](C)CC3)CCC2)cc1 ZINC001256201924 1106389704 /nfs/dbraw/zinc/38/97/04/1106389704.db2.gz SVYBDZFRCVMNPX-UHFFFAOYSA-N 2 1 302.462 3.092 20 0 DGADMP C[NH+]1CCC([NH2+]C2(Cc3ccncc3)CCC(F)(F)CC2)CC1 ZINC001256199159 1106389985 /nfs/dbraw/zinc/38/99/85/1106389985.db2.gz KBQVKGDDKXPDIX-UHFFFAOYSA-N 2 1 323.431 3.256 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001256354538 1106408436 /nfs/dbraw/zinc/40/84/36/1106408436.db2.gz LYIPVEQIFAOSEY-SFHVURJKSA-N 2 1 317.521 3.348 20 0 DGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001256357282 1106408664 /nfs/dbraw/zinc/40/86/64/1106408664.db2.gz DHXGEANLIOFFDX-SXLOBPIMSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001256357282 1106408665 /nfs/dbraw/zinc/40/86/65/1106408665.db2.gz DHXGEANLIOFFDX-SXLOBPIMSA-N 2 1 318.505 3.284 20 0 DGADMP CCCN(CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522168 1106432889 /nfs/dbraw/zinc/43/28/89/1106432889.db2.gz DZYMHBKFAQDFSB-PKOBYXMFSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522168 1106432894 /nfs/dbraw/zinc/43/28/94/1106432894.db2.gz DZYMHBKFAQDFSB-PKOBYXMFSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522168 1106432897 /nfs/dbraw/zinc/43/28/97/1106432897.db2.gz DZYMHBKFAQDFSB-PKOBYXMFSA-N 2 1 303.494 3.100 20 0 DGADMP CC(C)N(CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522964 1106433632 /nfs/dbraw/zinc/43/36/32/1106433632.db2.gz LAOLGBMGLCMZQY-MJGOQNOKSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522964 1106433634 /nfs/dbraw/zinc/43/36/34/1106433634.db2.gz LAOLGBMGLCMZQY-MJGOQNOKSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522964 1106433635 /nfs/dbraw/zinc/43/36/35/1106433635.db2.gz LAOLGBMGLCMZQY-MJGOQNOKSA-N 2 1 303.494 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256527443 1106433983 /nfs/dbraw/zinc/43/39/83/1106433983.db2.gz RYKGPFKLPWTLGI-NJAFHUGGSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256527443 1106433987 /nfs/dbraw/zinc/43/39/87/1106433987.db2.gz RYKGPFKLPWTLGI-NJAFHUGGSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001256530660 1106435389 /nfs/dbraw/zinc/43/53/89/1106435389.db2.gz OKAHVVTWVGUQHV-NVXWUHKLSA-N 2 1 315.486 3.328 20 0 DGADMP CC[N@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536949 1106436257 /nfs/dbraw/zinc/43/62/57/1106436257.db2.gz KFACXKKMZUHTLP-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536949 1106436259 /nfs/dbraw/zinc/43/62/59/1106436259.db2.gz KFACXKKMZUHTLP-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536949 1106436262 /nfs/dbraw/zinc/43/62/62/1106436262.db2.gz KFACXKKMZUHTLP-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCO1 ZINC001256537379 1106436717 /nfs/dbraw/zinc/43/67/17/1106436717.db2.gz MPUWPZGYHIZNCU-NEPXVJNWSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCO1 ZINC001256537379 1106436720 /nfs/dbraw/zinc/43/67/20/1106436720.db2.gz MPUWPZGYHIZNCU-NEPXVJNWSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539444 1106437724 /nfs/dbraw/zinc/43/77/24/1106437724.db2.gz XQJKRTVVDBNUEZ-IEBWSBKVSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539570 1106438104 /nfs/dbraw/zinc/43/81/04/1106438104.db2.gz VTCGNOIMBFUTHR-VBSBHUPXSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539570 1106438107 /nfs/dbraw/zinc/43/81/07/1106438107.db2.gz VTCGNOIMBFUTHR-VBSBHUPXSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@H](n2ccnc2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537559 1106438534 /nfs/dbraw/zinc/43/85/34/1106438534.db2.gz ODKFDRBKZZFUBP-FUHWJXTLSA-N 2 1 312.461 3.000 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCCC3(COC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542587 1106439620 /nfs/dbraw/zinc/43/96/20/1106439620.db2.gz PEHONKGNKWXDFH-PKOBYXMFSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542587 1106439623 /nfs/dbraw/zinc/43/96/23/1106439623.db2.gz PEHONKGNKWXDFH-PKOBYXMFSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542587 1106439624 /nfs/dbraw/zinc/43/96/24/1106439624.db2.gz PEHONKGNKWXDFH-PKOBYXMFSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542587 1106439627 /nfs/dbraw/zinc/43/96/27/1106439627.db2.gz PEHONKGNKWXDFH-PKOBYXMFSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555356 1106443832 /nfs/dbraw/zinc/44/38/32/1106443832.db2.gz UGJHJGAKKWXBHR-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555356 1106443834 /nfs/dbraw/zinc/44/38/34/1106443834.db2.gz UGJHJGAKKWXBHR-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555356 1106443836 /nfs/dbraw/zinc/44/38/36/1106443836.db2.gz UGJHJGAKKWXBHR-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555719 1106443853 /nfs/dbraw/zinc/44/38/53/1106443853.db2.gz VXLFTNBYOYOJEA-XFUTXVRSSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555719 1106443855 /nfs/dbraw/zinc/44/38/55/1106443855.db2.gz VXLFTNBYOYOJEA-XFUTXVRSSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555719 1106443857 /nfs/dbraw/zinc/44/38/57/1106443857.db2.gz VXLFTNBYOYOJEA-XFUTXVRSSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555719 1106443858 /nfs/dbraw/zinc/44/38/58/1106443858.db2.gz VXLFTNBYOYOJEA-XFUTXVRSSA-N 2 1 302.437 3.187 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560900 1106444785 /nfs/dbraw/zinc/44/47/85/1106444785.db2.gz UQAHFJRSVVOSSN-GPMSIDNRSA-N 2 1 302.462 3.006 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560900 1106444786 /nfs/dbraw/zinc/44/47/86/1106444786.db2.gz UQAHFJRSVVOSSN-GPMSIDNRSA-N 2 1 302.462 3.006 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256576969 1106449160 /nfs/dbraw/zinc/44/91/60/1106449160.db2.gz WTCNPVTYWFAPQS-OAHLLOKOSA-N 2 1 324.509 3.303 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256576969 1106449163 /nfs/dbraw/zinc/44/91/63/1106449163.db2.gz WTCNPVTYWFAPQS-OAHLLOKOSA-N 2 1 324.509 3.303 20 0 DGADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256618583 1106455171 /nfs/dbraw/zinc/45/51/71/1106455171.db2.gz LJJNJDIFUILKKG-XYTVBORESA-N 2 1 324.509 3.348 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001256629690 1106456687 /nfs/dbraw/zinc/45/66/87/1106456687.db2.gz PHFDKUWHQKXHDK-HRBLRVMOSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001256629690 1106456691 /nfs/dbraw/zinc/45/66/91/1106456691.db2.gz PHFDKUWHQKXHDK-HRBLRVMOSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001256629690 1106456694 /nfs/dbraw/zinc/45/66/94/1106456694.db2.gz PHFDKUWHQKXHDK-HRBLRVMOSA-N 2 1 300.446 3.110 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC001256640527 1106459893 /nfs/dbraw/zinc/45/98/93/1106459893.db2.gz GSINMFWHQXCTEI-IRXDYDNUSA-N 2 1 316.489 3.405 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC001256640527 1106459895 /nfs/dbraw/zinc/45/98/95/1106459895.db2.gz GSINMFWHQXCTEI-IRXDYDNUSA-N 2 1 316.489 3.405 20 0 DGADMP C[N@@H+](CCCc1ccccc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695184 1106470456 /nfs/dbraw/zinc/47/04/56/1106470456.db2.gz PXLVCJFKZMJGFE-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695826 1106470748 /nfs/dbraw/zinc/47/07/48/1106470748.db2.gz OWEYCNPVDQPINP-UHFFFAOYSA-N 2 1 320.452 3.291 20 0 DGADMP C1CC[C@H]2[C@H](C1)CCC[N@H+]2C1CCC([NH+]2CCOCC2)CC1 ZINC001256696527 1106470797 /nfs/dbraw/zinc/47/07/97/1106470797.db2.gz HDWMBNCIMDTSIQ-UGXKVIGPSA-N 2 1 306.494 3.284 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787469 1106483128 /nfs/dbraw/zinc/48/31/28/1106483128.db2.gz VZCKJRYBMZYIGD-WOJBJXKFSA-N 2 1 310.441 3.368 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787469 1106483130 /nfs/dbraw/zinc/48/31/30/1106483130.db2.gz VZCKJRYBMZYIGD-WOJBJXKFSA-N 2 1 310.441 3.368 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC001256826138 1106491622 /nfs/dbraw/zinc/49/16/22/1106491622.db2.gz RXJGMSNJOZMRIH-MOPGFXCFSA-N 2 1 314.473 3.324 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH+]1CCC(C)([NH3+])CC1 ZINC001256834057 1106493238 /nfs/dbraw/zinc/49/32/38/1106493238.db2.gz VWHSTLKKMSARBD-GFCCVEGCSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@@H+](C)CCC[NH+](C)C ZINC001256838562 1106495260 /nfs/dbraw/zinc/49/52/60/1106495260.db2.gz PPVLFBIMFWNKFE-CYBMUJFWSA-N 2 1 313.283 3.264 20 0 DGADMP [NH2+]=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(F)c(F)c1 ZINC001256900026 1106506407 /nfs/dbraw/zinc/50/64/07/1106506407.db2.gz ZGDVXPIGRCHPRM-ZDUSSCGKSA-N 2 1 307.388 3.287 20 0 DGADMP Oc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256903355 1106507085 /nfs/dbraw/zinc/50/70/85/1106507085.db2.gz AVVJZRQTKFGNCU-QZTJIDSGSA-N 2 1 314.473 3.246 20 0 DGADMP Oc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC001256903355 1106507088 /nfs/dbraw/zinc/50/70/88/1106507088.db2.gz AVVJZRQTKFGNCU-QZTJIDSGSA-N 2 1 314.473 3.246 20 0 DGADMP [NH2+]=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)c1cccnc1Cl ZINC001256903649 1106507492 /nfs/dbraw/zinc/50/74/92/1106507492.db2.gz CHFWOWVITSLGKR-LBPRGKRZSA-N 2 1 306.841 3.057 20 0 DGADMP C([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CC[NH+](C2CCC2)CC1 ZINC001256906918 1106508125 /nfs/dbraw/zinc/50/81/25/1106508125.db2.gz FDXOUIAIHJZJOB-GOSISDBHSA-N 3 1 319.537 3.248 20 0 DGADMP C([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CC[NH+](C2CCC2)CC1 ZINC001256906918 1106508127 /nfs/dbraw/zinc/50/81/27/1106508127.db2.gz FDXOUIAIHJZJOB-GOSISDBHSA-N 3 1 319.537 3.248 20 0 DGADMP CC(C)[C@H]1[NH2+]CCc2ncn([C@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256923321 1106513068 /nfs/dbraw/zinc/51/30/68/1106513068.db2.gz QOTKLKPKHDCRKL-FUHWJXTLSA-N 2 1 316.493 3.305 20 0 DGADMP CC(C)[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001257219501 1106553131 /nfs/dbraw/zinc/55/31/31/1106553131.db2.gz FAGURVXAOCAMQT-UHFFFAOYSA-N 2 1 315.505 3.067 20 0 DGADMP CCCc1noc([C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221913 1106554205 /nfs/dbraw/zinc/55/42/05/1106554205.db2.gz KVFPFRKOQHDXII-HNNXBMFYSA-N 2 1 320.481 3.074 20 0 DGADMP CCCc1noc([C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221913 1106554207 /nfs/dbraw/zinc/55/42/07/1106554207.db2.gz KVFPFRKOQHDXII-HNNXBMFYSA-N 2 1 320.481 3.074 20 0 DGADMP CCC[C@@H](CC)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001257252096 1106555952 /nfs/dbraw/zinc/55/59/52/1106555952.db2.gz YCRYHGBEZVOJOW-VAMGGRTRSA-N 2 1 321.553 3.494 20 0 DGADMP CCC(CC)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001257288722 1106561235 /nfs/dbraw/zinc/56/12/35/1106561235.db2.gz FSRSNGOWGAYPSE-UHFFFAOYSA-N 2 1 303.494 3.102 20 0 DGADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257333995 1106569734 /nfs/dbraw/zinc/56/97/34/1106569734.db2.gz YGECOPFDBMAVFK-QUCCMNQESA-N 2 1 318.505 3.428 20 0 DGADMP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257333995 1106569736 /nfs/dbraw/zinc/56/97/36/1106569736.db2.gz YGECOPFDBMAVFK-QUCCMNQESA-N 2 1 318.505 3.428 20 0 DGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](C4CCCC4)CC3)C2)c1 ZINC001257350108 1106571930 /nfs/dbraw/zinc/57/19/30/1106571930.db2.gz JRKZXRJBWVDHJV-UHFFFAOYSA-N 2 1 320.502 3.358 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(CC)CC)C1 ZINC001257380865 1106577349 /nfs/dbraw/zinc/57/73/49/1106577349.db2.gz FRTPBZVYEMUGPM-HOTGVXAUSA-N 2 1 312.498 3.351 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(CC)CC)C1 ZINC001257380865 1106577353 /nfs/dbraw/zinc/57/73/53/1106577353.db2.gz FRTPBZVYEMUGPM-HOTGVXAUSA-N 2 1 312.498 3.351 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001257386070 1106578837 /nfs/dbraw/zinc/57/88/37/1106578837.db2.gz BSTZNKIMYPEAQT-DLBZAZTESA-N 2 1 312.498 3.339 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@@H]2CCC[C@H]21 ZINC001257437056 1106588194 /nfs/dbraw/zinc/58/81/94/1106588194.db2.gz GXAZEOQSKCAVGO-GBESFXJTSA-N 2 1 302.462 3.308 20 0 DGADMP CC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001257441194 1106590405 /nfs/dbraw/zinc/59/04/05/1106590405.db2.gz VTXKMTAGEOJGPJ-LSTHTHJFSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001257441194 1106590410 /nfs/dbraw/zinc/59/04/10/1106590410.db2.gz VTXKMTAGEOJGPJ-LSTHTHJFSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001257441194 1106590413 /nfs/dbraw/zinc/59/04/13/1106590413.db2.gz VTXKMTAGEOJGPJ-LSTHTHJFSA-N 2 1 320.521 3.245 20 0 DGADMP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257503786 1106599233 /nfs/dbraw/zinc/59/92/33/1106599233.db2.gz DVHACQPLUTUSTD-RLLQIKCJSA-N 2 1 318.505 3.428 20 0 DGADMP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257503786 1106599234 /nfs/dbraw/zinc/59/92/34/1106599234.db2.gz DVHACQPLUTUSTD-RLLQIKCJSA-N 2 1 318.505 3.428 20 0 DGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257664810 1106616983 /nfs/dbraw/zinc/61/69/83/1106616983.db2.gz XYOCDSPYLPTTTP-HNNXBMFYSA-N 2 1 310.894 3.485 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+]([C@H]4CCCSC4)C[C@H]3C2)c1 ZINC001257671601 1106618064 /nfs/dbraw/zinc/61/80/64/1106618064.db2.gz PADCKTXMMGZYTM-KFWWJZLASA-N 2 1 308.516 3.007 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001258004687 1106656766 /nfs/dbraw/zinc/65/67/66/1106656766.db2.gz JKZQDPVPVSLOEC-LJQANCHMSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2cccc(N)n2)C(C)C)CC1 ZINC001258009480 1106657324 /nfs/dbraw/zinc/65/73/24/1106657324.db2.gz ZGSUXGTUBCHHNQ-GOSISDBHSA-N 2 1 304.482 3.071 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258011630 1106658188 /nfs/dbraw/zinc/65/81/88/1106658188.db2.gz JCKHQSKVDNWNLK-MJGOQNOKSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(=O)CC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001258023560 1106660006 /nfs/dbraw/zinc/66/00/06/1106660006.db2.gz FMPLTERDSIWPGF-AOCRQIFASA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258068826 1106667281 /nfs/dbraw/zinc/66/72/81/1106667281.db2.gz GBEUBCXXBZTISO-AKHDSKFASA-N 2 1 309.542 3.157 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258112129 1106674487 /nfs/dbraw/zinc/67/44/87/1106674487.db2.gz HUFRPKVJNRZAKP-DJIMGWMZSA-N 2 1 310.482 3.090 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258167023 1106685372 /nfs/dbraw/zinc/68/53/72/1106685372.db2.gz FLUVYPFDKCZECA-JFRXWTBNSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258183149 1106689766 /nfs/dbraw/zinc/68/97/66/1106689766.db2.gz IWTGOOIBERTWRV-KBAYOESNSA-N 2 1 313.445 3.378 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]3CC[N@@H+](C2)[C@H]3C)cc1 ZINC001258393703 1106729518 /nfs/dbraw/zinc/72/95/18/1106729518.db2.gz ZTFHLOQHVGOGHI-CWLKWCNXSA-N 2 1 302.462 3.089 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001258406673 1106732578 /nfs/dbraw/zinc/73/25/78/1106732578.db2.gz UIMYHHADGIKZSV-VQIMIIECSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001258406673 1106732584 /nfs/dbraw/zinc/73/25/84/1106732584.db2.gz UIMYHHADGIKZSV-VQIMIIECSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001258406673 1106732589 /nfs/dbraw/zinc/73/25/89/1106732589.db2.gz UIMYHHADGIKZSV-VQIMIIECSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)CC3CC3)CC2)cc1 ZINC001258455326 1106754070 /nfs/dbraw/zinc/75/40/70/1106754070.db2.gz YTXNAOAPFAOALM-MRXNPFEDSA-N 2 1 316.489 3.480 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Nc2ccccc2)CC1 ZINC001320012682 1106784848 /nfs/dbraw/zinc/78/48/48/1106784848.db2.gz ZQSICEYCPFJGIB-IBGZPJMESA-N 2 1 301.478 3.437 20 0 DGADMP CCCC1CCC(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC001258533809 1106802753 /nfs/dbraw/zinc/80/27/53/1106802753.db2.gz AGGPCFCLESXFLH-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258537404 1106807847 /nfs/dbraw/zinc/80/78/47/1106807847.db2.gz MHSUOTMHMLOCLV-MRXNPFEDSA-N 2 1 321.896 3.383 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258624310 1106861571 /nfs/dbraw/zinc/86/15/71/1106861571.db2.gz NQODBXWKYDECJX-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258624310 1106861583 /nfs/dbraw/zinc/86/15/83/1106861583.db2.gz NQODBXWKYDECJX-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258708206 1106922326 /nfs/dbraw/zinc/92/23/26/1106922326.db2.gz SMIRHKMHMJMZKQ-HXUWFJFHSA-N 2 1 318.505 3.488 20 0 DGADMP CCCN1CCC([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001258766791 1106962389 /nfs/dbraw/zinc/96/23/89/1106962389.db2.gz ALAGMBYTKQIDBO-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](CO)c2cccc3ccccc32)CC1 ZINC001258770750 1106964197 /nfs/dbraw/zinc/96/41/97/1106964197.db2.gz PAOGYZHZWKUSDD-HXUWFJFHSA-N 2 1 312.457 3.337 20 0 DGADMP CCC[NH+]1CCC([NH+]2CCC(Oc3cccc(C)n3)CC2)CC1 ZINC001258777267 1106970425 /nfs/dbraw/zinc/97/04/25/1106970425.db2.gz OLXCVZSCLSTRCO-UHFFFAOYSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001258775975 1106970954 /nfs/dbraw/zinc/97/09/54/1106970954.db2.gz MSSBVTLBODERIN-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001258775975 1106970970 /nfs/dbraw/zinc/97/09/70/1106970970.db2.gz MSSBVTLBODERIN-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001258820866 1107003009 /nfs/dbraw/zinc/00/30/09/1107003009.db2.gz PPPCDHFZJNRPIU-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820866 1107003020 /nfs/dbraw/zinc/00/30/20/1107003020.db2.gz PPPCDHFZJNRPIU-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820866 1107003038 /nfs/dbraw/zinc/00/30/38/1107003038.db2.gz PPPCDHFZJNRPIU-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001320435620 1107005977 /nfs/dbraw/zinc/00/59/77/1107005977.db2.gz ZINUISVQXCSQEB-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258893793 1107040117 /nfs/dbraw/zinc/04/01/17/1107040117.db2.gz NYAYDLYIALTAOE-INIZCTEOSA-N 2 1 302.462 3.044 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(c2ccccc2OC)COC1 ZINC001258904357 1107050609 /nfs/dbraw/zinc/05/06/09/1107050609.db2.gz LMHKYZNXYOXDPV-INIZCTEOSA-N 2 1 320.477 3.021 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(c2ccccn2)CC1 ZINC001258906847 1107052391 /nfs/dbraw/zinc/05/23/91/1107052391.db2.gz BGIPNNFNJXEMEN-SFHVURJKSA-N 2 1 318.509 3.104 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H](N)C(F)(F)F)C1 ZINC001258907236 1107055908 /nfs/dbraw/zinc/05/59/08/1107055908.db2.gz OUQMMLUQYNIXBD-RRFJBIMHSA-N 2 1 323.447 3.099 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001317172422 1107082832 /nfs/dbraw/zinc/08/28/32/1107082832.db2.gz GACQMRJCQUJNEZ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001317172422 1107082848 /nfs/dbraw/zinc/08/28/48/1107082848.db2.gz GACQMRJCQUJNEZ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317172422 1107082863 /nfs/dbraw/zinc/08/28/63/1107082863.db2.gz GACQMRJCQUJNEZ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccccc1 ZINC001474751081 1107145132 /nfs/dbraw/zinc/14/51/32/1107145132.db2.gz HJZBAINXKGTNIP-IEBWSBKVSA-N 2 1 314.477 3.334 20 0 DGADMP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1OC ZINC001320834633 1107156665 /nfs/dbraw/zinc/15/66/65/1107156665.db2.gz OFQVJWRWFKRWEW-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1OC ZINC001320834633 1107156669 /nfs/dbraw/zinc/15/66/69/1107156669.db2.gz OFQVJWRWFKRWEW-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccc(F)cc3F)C2)CC1 ZINC001321187838 1107278108 /nfs/dbraw/zinc/27/81/08/1107278108.db2.gz MHCYZTMHHCXOJC-UHFFFAOYSA-N 2 1 308.416 3.315 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317425351 1107351062 /nfs/dbraw/zinc/35/10/62/1107351062.db2.gz YMQSFWXWHGURAG-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317425351 1107351077 /nfs/dbraw/zinc/35/10/77/1107351077.db2.gz YMQSFWXWHGURAG-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317425351 1107351093 /nfs/dbraw/zinc/35/10/93/1107351093.db2.gz YMQSFWXWHGURAG-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)[C@@H]1CC[NH3+] ZINC001261506198 1107453996 /nfs/dbraw/zinc/45/39/96/1107453996.db2.gz KSGRCFOIIZZBEW-DNVCBOLYSA-N 2 1 312.461 3.036 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC001262009490 1107572240 /nfs/dbraw/zinc/57/22/40/1107572240.db2.gz YQSPLENWHOLLSU-GDBMZVCRSA-N 2 1 308.491 3.290 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCC1 ZINC001262009490 1107572247 /nfs/dbraw/zinc/57/22/47/1107572247.db2.gz YQSPLENWHOLLSU-GDBMZVCRSA-N 2 1 308.491 3.290 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318090760 1107835359 /nfs/dbraw/zinc/83/53/59/1107835359.db2.gz SSYWAMZQEGYKQK-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP CC[N@@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520213 1107996226 /nfs/dbraw/zinc/99/62/26/1107996226.db2.gz JTHLCPVTWOOJIT-WMLDXEAASA-N 2 1 306.425 3.061 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520213 1107996239 /nfs/dbraw/zinc/99/62/39/1107996239.db2.gz JTHLCPVTWOOJIT-WMLDXEAASA-N 2 1 306.425 3.061 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001318959394 1108253752 /nfs/dbraw/zinc/25/37/52/1108253752.db2.gz PULQZVSCQQHMCH-BZSNNMDCSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@@H]1CCc2nc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)sc2C1 ZINC001324456059 1108296971 /nfs/dbraw/zinc/29/69/71/1108296971.db2.gz NKSFSZMCETWXIU-FMKPAKJESA-N 2 1 319.518 3.184 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319201298 1108363356 /nfs/dbraw/zinc/36/33/56/1108363356.db2.gz PSCMOKNKAXSROG-CEXWTWQISA-N 2 1 322.468 3.236 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001319291872 1108404913 /nfs/dbraw/zinc/40/49/13/1108404913.db2.gz YIAZYSBETCIIKH-ZYSHUDEJSA-N 2 1 304.478 3.479 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001264162059 1108408453 /nfs/dbraw/zinc/40/84/53/1108408453.db2.gz GVXYCNUMGITANZ-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]Cc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000387074305 1108453961 /nfs/dbraw/zinc/45/39/61/1108453961.db2.gz RHFKPTWHWXSWNK-UHFFFAOYSA-N 2 1 315.848 3.121 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815473 1108473154 /nfs/dbraw/zinc/47/31/54/1108473154.db2.gz PJQFYRGPGDAVRW-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815473 1108473156 /nfs/dbraw/zinc/47/31/56/1108473156.db2.gz PJQFYRGPGDAVRW-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001265213402 1108779511 /nfs/dbraw/zinc/77/95/11/1108779511.db2.gz RHHBYXCHOPGOOP-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265213402 1108779517 /nfs/dbraw/zinc/77/95/17/1108779517.db2.gz RHHBYXCHOPGOOP-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001265213402 1108779524 /nfs/dbraw/zinc/77/95/24/1108779524.db2.gz RHHBYXCHOPGOOP-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001265645576 1108946152 /nfs/dbraw/zinc/94/61/52/1108946152.db2.gz SBPXNOLMHWSAIV-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001284127617 1109742651 /nfs/dbraw/zinc/74/26/51/1109742651.db2.gz CIMRXEJYKAKWMF-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001284127617 1109742653 /nfs/dbraw/zinc/74/26/53/1109742653.db2.gz CIMRXEJYKAKWMF-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001284127617 1109742657 /nfs/dbraw/zinc/74/26/57/1109742657.db2.gz CIMRXEJYKAKWMF-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582091 1111316681 /nfs/dbraw/zinc/31/66/81/1111316681.db2.gz FOQRKTQXTIJKNN-UXHICEINSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582091 1111316685 /nfs/dbraw/zinc/31/66/85/1111316685.db2.gz FOQRKTQXTIJKNN-UXHICEINSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001307582091 1111316689 /nfs/dbraw/zinc/31/66/89/1111316689.db2.gz FOQRKTQXTIJKNN-UXHICEINSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001307582091 1111316693 /nfs/dbraw/zinc/31/66/93/1111316693.db2.gz FOQRKTQXTIJKNN-UXHICEINSA-N 2 1 318.505 3.237 20 0 DGADMP CC[C@@H]1CN(CCC[NH+](CC)CC)CC[N@H+]1Cc1ccccc1 ZINC001307668590 1111325439 /nfs/dbraw/zinc/32/54/39/1111325439.db2.gz CTQGWBPKWZBFPM-HXUWFJFHSA-N 2 1 317.521 3.315 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCCC13CCOCC3)C2 ZINC001307786357 1111339617 /nfs/dbraw/zinc/33/96/17/1111339617.db2.gz ZDIJNIHJWKZWIY-MSOLQXFVSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCCC13CCOCC3)C2 ZINC001307786357 1111339619 /nfs/dbraw/zinc/33/96/19/1111339619.db2.gz ZDIJNIHJWKZWIY-MSOLQXFVSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCCC13CCOCC3)C2 ZINC001307786357 1111339621 /nfs/dbraw/zinc/33/96/21/1111339621.db2.gz ZDIJNIHJWKZWIY-MSOLQXFVSA-N 2 1 306.494 3.001 20 0 DGADMP Cc1cccc(C)c1C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C(C)C ZINC001307871068 1111349146 /nfs/dbraw/zinc/34/91/46/1111349146.db2.gz TUZZDJYKLDEKIB-IBGZPJMESA-N 2 1 320.521 3.463 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C(C)C ZINC001307871068 1111349151 /nfs/dbraw/zinc/34/91/51/1111349151.db2.gz TUZZDJYKLDEKIB-IBGZPJMESA-N 2 1 320.521 3.463 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307871068 1111349154 /nfs/dbraw/zinc/34/91/54/1111349154.db2.gz TUZZDJYKLDEKIB-IBGZPJMESA-N 2 1 320.521 3.463 20 0 DGADMP COCC[N@H+](Cc1c(C)cccc1Cl)CC1CC[NH+](C)CC1 ZINC001307987870 1111363579 /nfs/dbraw/zinc/36/35/79/1111363579.db2.gz LIFOLCSVTJPMGQ-UHFFFAOYSA-N 2 1 324.896 3.439 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001308090612 1111376525 /nfs/dbraw/zinc/37/65/25/1111376525.db2.gz SYWQSGIUBMQHBP-NIKGAXFTSA-N 2 1 311.404 3.287 20 0 DGADMP Cc1cnc(C[N@@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)o1 ZINC001308165540 1111388381 /nfs/dbraw/zinc/38/83/81/1111388381.db2.gz OOSRGYLVCNVFDB-AWEZNQCLSA-N 2 1 302.422 3.314 20 0 DGADMP Cc1cnc(C[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)o1 ZINC001308165540 1111388386 /nfs/dbraw/zinc/38/83/86/1111388386.db2.gz OOSRGYLVCNVFDB-AWEZNQCLSA-N 2 1 302.422 3.314 20 0 DGADMP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC001308202398 1111396129 /nfs/dbraw/zinc/39/61/29/1111396129.db2.gz KTJPSPJAVFSDQR-IKGGRYGDSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC001308202398 1111396132 /nfs/dbraw/zinc/39/61/32/1111396132.db2.gz KTJPSPJAVFSDQR-IKGGRYGDSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2ccccc2n1 ZINC001308203142 1111397443 /nfs/dbraw/zinc/39/74/43/1111397443.db2.gz LXPTVEPYGRWIKG-MRXNPFEDSA-N 2 1 300.450 3.079 20 0 DGADMP CC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308253464 1111405353 /nfs/dbraw/zinc/40/53/53/1111405353.db2.gz XLUATRWINQSTOK-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H](CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257857 1111405837 /nfs/dbraw/zinc/40/58/37/1111405837.db2.gz VZUKMCLAIFRAMB-FUHWJXTLSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257857 1111405842 /nfs/dbraw/zinc/40/58/42/1111405842.db2.gz VZUKMCLAIFRAMB-FUHWJXTLSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@H+](C)C1CC1 ZINC001308257857 1111405846 /nfs/dbraw/zinc/40/58/46/1111405846.db2.gz VZUKMCLAIFRAMB-FUHWJXTLSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC001308257857 1111405850 /nfs/dbraw/zinc/40/58/50/1111405850.db2.gz VZUKMCLAIFRAMB-FUHWJXTLSA-N 2 1 315.505 3.112 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC001308338842 1111418164 /nfs/dbraw/zinc/41/81/64/1111418164.db2.gz LFRIZMQYFOTHIX-INIZCTEOSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1F ZINC001308338842 1111418167 /nfs/dbraw/zinc/41/81/67/1111418167.db2.gz LFRIZMQYFOTHIX-INIZCTEOSA-N 2 1 308.441 3.292 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc2ccccn12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308367475 1111422264 /nfs/dbraw/zinc/42/22/64/1111422264.db2.gz FDXWSOZVHUAMAZ-HZPDHXFCSA-N 2 1 312.461 3.077 20 0 DGADMP Cn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(C2CCCC2)n1 ZINC001308366029 1111422419 /nfs/dbraw/zinc/42/24/19/1111422419.db2.gz JYSJIBJOVOPPCP-UHFFFAOYSA-N 2 1 318.509 3.289 20 0 DGADMP CC[N@@H+](CCCNCc1ccnc(OC)c1F)C1CCCCC1 ZINC001308455355 1111430579 /nfs/dbraw/zinc/43/05/79/1111430579.db2.gz HYSFAOWHPYURSS-UHFFFAOYSA-N 2 1 323.456 3.364 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)ccc1C(F)(F)F ZINC001308553142 1111443175 /nfs/dbraw/zinc/44/31/75/1111443175.db2.gz HLNZFINTURDEQF-IIAWOOMASA-N 2 1 312.379 3.444 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3scnc3c2)[C@@H](C)C1 ZINC001308567488 1111445862 /nfs/dbraw/zinc/44/58/62/1111445862.db2.gz HKNPHRFONBVFJA-XJKSGUPXSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3scnc3c2)[C@@H](C)C1 ZINC001308567488 1111445864 /nfs/dbraw/zinc/44/58/64/1111445864.db2.gz HKNPHRFONBVFJA-XJKSGUPXSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3scnc3c2)[C@@H](C)C1 ZINC001308567488 1111445866 /nfs/dbraw/zinc/44/58/66/1111445866.db2.gz HKNPHRFONBVFJA-XJKSGUPXSA-N 2 1 303.475 3.458 20 0 DGADMP CC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC001308636473 1111454076 /nfs/dbraw/zinc/45/40/76/1111454076.db2.gz DQSSFSZGHAFAQM-LJQANCHMSA-N 2 1 316.489 3.313 20 0 DGADMP Cc1csc2nc(C)c(C[NH2+]CC[C@H](C)[NH+]3CCCCC3)n12 ZINC001308684257 1111460479 /nfs/dbraw/zinc/46/04/79/1111460479.db2.gz RHAQZDRHIVSVJL-ZDUSSCGKSA-N 2 1 320.506 3.367 20 0 DGADMP COc1ccc(SCC[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC001308689977 1111461136 /nfs/dbraw/zinc/46/11/36/1111461136.db2.gz SFFKQVMQGGMWOI-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1CCCC[C@H]1C ZINC001308739853 1111468088 /nfs/dbraw/zinc/46/80/88/1111468088.db2.gz GOQPDNZTNSOBIH-CEXWTWQISA-N 2 1 309.542 3.161 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC001308740410 1111468377 /nfs/dbraw/zinc/46/83/77/1111468377.db2.gz KICNLMGRUZSHRG-QZTJIDSGSA-N 2 1 309.542 3.161 20 0 DGADMP CCc1ccc([C@H](CN[C@H]2CCC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794066 1111475709 /nfs/dbraw/zinc/47/57/09/1111475709.db2.gz UGSPOADUPHWWHW-PMACEKPBSA-N 2 1 317.521 3.316 20 0 DGADMP CCc1ccc([C@H](CN[C@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794066 1111475714 /nfs/dbraw/zinc/47/57/14/1111475714.db2.gz UGSPOADUPHWWHW-PMACEKPBSA-N 2 1 317.521 3.316 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[N@H+]3CCCC3(C)C)CC2)C1 ZINC001308815725 1111479723 /nfs/dbraw/zinc/47/97/23/1111479723.db2.gz PGNDGZOIDUBFJF-IEBWSBKVSA-N 2 1 321.553 3.494 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCC[C@H]4CCO4)C[C@@H]3C2)cc1 ZINC001308945699 1111497715 /nfs/dbraw/zinc/49/77/15/1111497715.db2.gz PWERJYGPCNLPGJ-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001316769584 1111761567 /nfs/dbraw/zinc/76/15/67/1111761567.db2.gz HHUXHUZDDIMHFN-HPFMTEOYSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@H](CC[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000278459085 214167835 /nfs/dbraw/zinc/16/78/35/214167835.db2.gz ZOKUEFRKSMWDAP-QZTJIDSGSA-N 2 1 304.478 3.271 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414198297 230709022 /nfs/dbraw/zinc/70/90/22/230709022.db2.gz WYQIRAVYADFHMW-DLBZAZTESA-N 2 1 320.477 3.094 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000278529287 214215913 /nfs/dbraw/zinc/21/59/13/214215913.db2.gz RJIWAYNKEZTBSL-HUUCEWRRSA-N 2 1 310.532 3.303 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000278529287 214215915 /nfs/dbraw/zinc/21/59/15/214215915.db2.gz RJIWAYNKEZTBSL-HUUCEWRRSA-N 2 1 310.532 3.303 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278591381 214259715 /nfs/dbraw/zinc/25/97/15/214259715.db2.gz QOOQNNOCTKXNIR-MDZRGWNJSA-N 2 1 302.462 3.010 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000309712942 231101137 /nfs/dbraw/zinc/10/11/37/231101137.db2.gz JWOUQRGJJBYZDS-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@H](O)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309783065 231104924 /nfs/dbraw/zinc/10/49/24/231104924.db2.gz LOLBNWOYYCYPKN-SFHVURJKSA-N 2 1 316.489 3.136 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC000309735989 231105065 /nfs/dbraw/zinc/10/50/65/231105065.db2.gz QOEYGERHKBSEQN-UHFFFAOYSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000278731834 214361181 /nfs/dbraw/zinc/36/11/81/214361181.db2.gz WIRZQIPHUQZDPO-CABCVRRESA-N 2 1 310.869 3.492 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000278731834 214361184 /nfs/dbraw/zinc/36/11/84/214361184.db2.gz WIRZQIPHUQZDPO-CABCVRRESA-N 2 1 310.869 3.492 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000310009536 231109959 /nfs/dbraw/zinc/10/99/59/231109959.db2.gz JMWUJWWJWUTKQN-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000310009536 231109962 /nfs/dbraw/zinc/10/99/62/231109962.db2.gz JMWUJWWJWUTKQN-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000310009536 231109965 /nfs/dbraw/zinc/10/99/65/231109965.db2.gz JMWUJWWJWUTKQN-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc(C)[nH+]1 ZINC000310431349 231113243 /nfs/dbraw/zinc/11/32/43/231113243.db2.gz SSOPXGYBNJTLBW-MOPGFXCFSA-N 2 1 322.456 3.052 20 0 DGADMP Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc(C)[nH+]1 ZINC000310431349 231113245 /nfs/dbraw/zinc/11/32/45/231113245.db2.gz SSOPXGYBNJTLBW-MOPGFXCFSA-N 2 1 322.456 3.052 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc2ccccc21 ZINC000320822596 231198672 /nfs/dbraw/zinc/19/86/72/231198672.db2.gz SPVYHSQDGDYSMD-SZMVWBNQSA-N 2 1 310.441 3.354 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc2ccccc21 ZINC000320822596 231198674 /nfs/dbraw/zinc/19/86/74/231198674.db2.gz SPVYHSQDGDYSMD-SZMVWBNQSA-N 2 1 310.441 3.354 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000322946761 231213345 /nfs/dbraw/zinc/21/33/45/231213345.db2.gz RUAYXOUFEFHFPG-JCGIZDLHSA-N 2 1 318.461 3.119 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432417837 529539719 /nfs/dbraw/zinc/53/97/19/529539719.db2.gz XKWDUDKXVTYGHN-ICSRJNTNSA-N 2 1 318.505 3.407 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432417837 529539721 /nfs/dbraw/zinc/53/97/21/529539721.db2.gz XKWDUDKXVTYGHN-ICSRJNTNSA-N 2 1 318.505 3.407 20 0 DGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000451132010 534930437 /nfs/dbraw/zinc/93/04/37/534930437.db2.gz UDSFAUXIJDLACS-MOPGFXCFSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229015 432005450 /nfs/dbraw/zinc/00/54/50/432005450.db2.gz OVZUUROYYKJNCM-GOSISDBHSA-N 2 1 318.509 3.125 20 0 DGADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229015 432005453 /nfs/dbraw/zinc/00/54/53/432005453.db2.gz OVZUUROYYKJNCM-GOSISDBHSA-N 2 1 318.509 3.125 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278972949 214542481 /nfs/dbraw/zinc/54/24/81/214542481.db2.gz NVCLNENSCKUVEJ-QWHCGFSZSA-N 2 1 316.474 3.132 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272837562 210235248 /nfs/dbraw/zinc/23/52/48/210235248.db2.gz QSKIJRFQRGGLRT-LNLFQRSKSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCO2 ZINC000295870288 529682423 /nfs/dbraw/zinc/68/24/23/529682423.db2.gz GDDFLXARYQOGJS-HQSKLWIPSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027900 185278776 /nfs/dbraw/zinc/27/87/76/185278776.db2.gz MTSALIHTOWPEGU-RVKKMQEKSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027900 185278777 /nfs/dbraw/zinc/27/87/77/185278777.db2.gz MTSALIHTOWPEGU-RVKKMQEKSA-N 2 1 302.462 3.436 20 0 DGADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000090530642 185300663 /nfs/dbraw/zinc/30/06/63/185300663.db2.gz CSRHDSQFPKBPRR-HIFRSBDPSA-N 2 1 323.444 3.494 20 0 DGADMP COCCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821583 185343876 /nfs/dbraw/zinc/34/38/76/185343876.db2.gz QVQAGQSAXUMIBN-UHFFFAOYSA-N 2 1 305.466 3.047 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435749771 529800375 /nfs/dbraw/zinc/80/03/75/529800375.db2.gz VOEOMMLTHCZAKQ-SFHVURJKSA-N 2 1 316.493 3.034 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435749771 529800377 /nfs/dbraw/zinc/80/03/77/529800377.db2.gz VOEOMMLTHCZAKQ-SFHVURJKSA-N 2 1 316.493 3.034 20 0 DGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1(C)COC1 ZINC000286693362 219113698 /nfs/dbraw/zinc/11/36/98/219113698.db2.gz WAPRARVKVFVANA-UHFFFAOYSA-N 2 1 314.429 3.038 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000151818137 529891699 /nfs/dbraw/zinc/89/16/99/529891699.db2.gz WHDXHHBRCDTUPU-KURKYZTESA-N 2 1 308.510 3.434 20 0 DGADMP C[N@@H+](CCCOc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC000430660339 529894687 /nfs/dbraw/zinc/89/46/87/529894687.db2.gz CUKQSFPBQURYMM-UHFFFAOYSA-N 2 1 304.478 3.437 20 0 DGADMP C[NH2+]C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000430933086 529955963 /nfs/dbraw/zinc/95/59/63/529955963.db2.gz JFZSXHGFKXAWTD-UHFFFAOYSA-N 2 1 316.367 3.158 20 0 DGADMP C[NH2+]CCC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000435876960 529964745 /nfs/dbraw/zinc/96/47/45/529964745.db2.gz MCWSVDMIYAXVPM-UHFFFAOYSA-N 2 1 311.267 3.022 20 0 DGADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435436189 529995685 /nfs/dbraw/zinc/99/56/85/529995685.db2.gz DVXCPMAJPZKRRN-AWEZNQCLSA-N 2 1 316.367 3.202 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000435390087 530005260 /nfs/dbraw/zinc/00/52/60/530005260.db2.gz NUHMUVYKPZOZQX-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000435390087 530005261 /nfs/dbraw/zinc/00/52/61/530005261.db2.gz NUHMUVYKPZOZQX-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP C[N@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435445076 530015371 /nfs/dbraw/zinc/01/53/71/530015371.db2.gz CJALDEMOSVXHAC-OAHLLOKOSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435445076 530015372 /nfs/dbraw/zinc/01/53/72/530015372.db2.gz CJALDEMOSVXHAC-OAHLLOKOSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299525439 530056441 /nfs/dbraw/zinc/05/64/41/530056441.db2.gz PPXOYIMYZCMZBB-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292901228 530059371 /nfs/dbraw/zinc/05/93/71/530059371.db2.gz GPRRELYOGQPPMB-GOSISDBHSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292901228 530059372 /nfs/dbraw/zinc/05/93/72/530059372.db2.gz GPRRELYOGQPPMB-GOSISDBHSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292901228 530059373 /nfs/dbraw/zinc/05/93/73/530059373.db2.gz GPRRELYOGQPPMB-GOSISDBHSA-N 2 1 306.425 3.012 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000286952705 219241370 /nfs/dbraw/zinc/24/13/70/219241370.db2.gz HMACPUJHIHJZCP-KRWDZBQOSA-N 2 1 310.869 3.226 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287131975 219334784 /nfs/dbraw/zinc/33/47/84/219334784.db2.gz ADZVCMVPUGTPGF-YLJYHZDGSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000287131975 219334787 /nfs/dbraw/zinc/33/47/87/219334787.db2.gz ADZVCMVPUGTPGF-YLJYHZDGSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194224816 186270466 /nfs/dbraw/zinc/27/04/66/186270466.db2.gz UQIJOGAJYADYSU-LJQANCHMSA-N 2 1 300.446 3.242 20 0 DGADMP COc1cccc(CCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000265982406 186348089 /nfs/dbraw/zinc/34/80/89/186348089.db2.gz FZABCVJWGOSYLZ-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000268749416 186377687 /nfs/dbraw/zinc/37/76/87/186377687.db2.gz UBVJJARZFAWXQI-HKUYNNGSSA-N 2 1 317.521 3.074 20 0 DGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(Cl)c1 ZINC000130489212 432026695 /nfs/dbraw/zinc/02/66/95/432026695.db2.gz HBKYKIKZRFSJSD-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(Cl)c1 ZINC000130489212 432026697 /nfs/dbraw/zinc/02/66/97/432026697.db2.gz HBKYKIKZRFSJSD-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1O ZINC000277175171 213345844 /nfs/dbraw/zinc/34/58/44/213345844.db2.gz HFMDCDKUHFROHU-OAHLLOKOSA-N 2 1 308.466 3.042 20 0 DGADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OCC ZINC000072726287 191223332 /nfs/dbraw/zinc/22/33/32/191223332.db2.gz JLSNBHOMEGYUEO-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000173441842 198215937 /nfs/dbraw/zinc/21/59/37/198215937.db2.gz QFYRNAHJMMKCNO-AWEZNQCLSA-N 2 1 317.433 3.340 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2)[C@H](C)C1 ZINC000174628906 198361926 /nfs/dbraw/zinc/36/19/26/198361926.db2.gz WVYNAJRDYATTFC-DOMZBBRYSA-N 2 1 311.267 3.269 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000163582626 432036878 /nfs/dbraw/zinc/03/68/78/432036878.db2.gz FTAZCUUMIOHEPO-ZHALLVOQSA-N 3 1 309.542 3.063 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000163582626 432036882 /nfs/dbraw/zinc/03/68/82/432036882.db2.gz FTAZCUUMIOHEPO-ZHALLVOQSA-N 2 1 309.542 3.063 20 0 DGADMP CC(C)OCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000236796353 202013222 /nfs/dbraw/zinc/01/32/22/202013222.db2.gz RCOMFUFQWGECMH-UHFFFAOYSA-N 2 1 304.478 3.098 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422968694 283024411 /nfs/dbraw/zinc/02/44/11/283024411.db2.gz RWSWRZLLSOBADG-VJUNAUMWSA-N 2 1 304.409 3.160 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000164482786 432047514 /nfs/dbraw/zinc/04/75/14/432047514.db2.gz KYKGGNWRRZULQW-OYHNWAKOSA-N 2 1 322.518 3.339 20 0 DGADMP CC(C)[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000164573133 432049276 /nfs/dbraw/zinc/04/92/76/432049276.db2.gz NFVULMOGCWHQCU-MRXNPFEDSA-N 2 1 317.477 3.245 20 0 DGADMP C[C@H]1C[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442869006 291083220 /nfs/dbraw/zinc/08/32/20/291083220.db2.gz AGDUCCATOWDSLX-ROUUACIJSA-N 2 1 307.526 3.105 20 0 DGADMP CCOCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000165100312 432053601 /nfs/dbraw/zinc/05/36/01/432053601.db2.gz UMXUVDASRITUGB-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOCCc2ccccc2)[C@H](C)C1 ZINC000165237836 432054673 /nfs/dbraw/zinc/05/46/73/432054673.db2.gz RGWYCEGILIFXGL-UYAOXDASSA-N 2 1 318.505 3.346 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570031 192292453 /nfs/dbraw/zinc/29/24/53/192292453.db2.gz TWLTWUOHLRXFER-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570031 192292455 /nfs/dbraw/zinc/29/24/55/192292455.db2.gz TWLTWUOHLRXFER-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570031 192292457 /nfs/dbraw/zinc/29/24/57/192292457.db2.gz TWLTWUOHLRXFER-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081570031 192292459 /nfs/dbraw/zinc/29/24/59/192292459.db2.gz TWLTWUOHLRXFER-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000166050923 432059047 /nfs/dbraw/zinc/05/90/47/432059047.db2.gz OFHSTLOAYFKIAU-JXFKEZNVSA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236925577 202075161 /nfs/dbraw/zinc/07/51/61/202075161.db2.gz ZPFSCZXYMQDDKD-MPGHIAIKSA-N 2 1 317.477 3.230 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236925545 202075641 /nfs/dbraw/zinc/07/56/41/202075641.db2.gz ZPFSCZXYMQDDKD-VKJFTORMSA-N 2 1 317.477 3.230 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000133317862 432060540 /nfs/dbraw/zinc/06/05/40/432060540.db2.gz FEIFAAMVFYSKEA-PKOBYXMFSA-N 2 1 302.462 3.023 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000166539665 432061749 /nfs/dbraw/zinc/06/17/49/432061749.db2.gz KWYMSGFBSRUBTE-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@@H+]1C ZINC000166703561 432062132 /nfs/dbraw/zinc/06/21/32/432062132.db2.gz SISQIRRKMKXMEO-JFRXWTBNSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@H+]1C ZINC000166703561 432062135 /nfs/dbraw/zinc/06/21/35/432062135.db2.gz SISQIRRKMKXMEO-JFRXWTBNSA-N 2 1 302.462 3.227 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405104 432065761 /nfs/dbraw/zinc/06/57/61/432065761.db2.gz LOMDQTXCJZYURV-LLVKDONJSA-N 2 1 304.331 3.405 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000167850706 432067078 /nfs/dbraw/zinc/06/70/78/432067078.db2.gz MMEPOWQNQFECRC-SOLBZPMBSA-N 2 1 303.494 3.188 20 0 DGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168308538 432067719 /nfs/dbraw/zinc/06/77/19/432067719.db2.gz RCZSYTMECAMLRU-SFHVURJKSA-N 2 1 322.468 3.093 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccsc3)CC2)nc(C)[nH+]1 ZINC000178322466 198849152 /nfs/dbraw/zinc/84/91/52/198849152.db2.gz MWBZOCLRECUTIV-CYBMUJFWSA-N 2 1 316.474 3.475 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CC2)cc1 ZINC000168361632 432069124 /nfs/dbraw/zinc/06/91/24/432069124.db2.gz HPYQFNHUYDGVPK-IBGZPJMESA-N 2 1 316.489 3.017 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)cc2c1 ZINC000179302330 199011944 /nfs/dbraw/zinc/01/19/44/199011944.db2.gz XSXGTKURQPGTNH-ZDUSSCGKSA-N 2 1 313.401 3.372 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3nccn32)c1 ZINC000179421076 199032569 /nfs/dbraw/zinc/03/25/69/199032569.db2.gz HIAQQXDFRVFCEV-UHFFFAOYSA-N 2 1 322.456 3.464 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000134166210 432074530 /nfs/dbraw/zinc/07/45/30/432074530.db2.gz BCCWVQIXDNIWQZ-NCOADZHNSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000134166210 432074532 /nfs/dbraw/zinc/07/45/32/432074532.db2.gz BCCWVQIXDNIWQZ-NCOADZHNSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000134166210 432074534 /nfs/dbraw/zinc/07/45/34/432074534.db2.gz BCCWVQIXDNIWQZ-NCOADZHNSA-N 2 1 321.534 3.203 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000180123232 199120540 /nfs/dbraw/zinc/12/05/40/199120540.db2.gz LGVIKOIUSSLTQI-UHFFFAOYSA-N 2 1 314.477 3.278 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000180678442 199195651 /nfs/dbraw/zinc/19/56/51/199195651.db2.gz BAOBKPWPAPZWRX-CHWSQXEVSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000180678442 199195653 /nfs/dbraw/zinc/19/56/53/199195653.db2.gz BAOBKPWPAPZWRX-CHWSQXEVSA-N 2 1 316.367 3.157 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000180987370 199236954 /nfs/dbraw/zinc/23/69/54/199236954.db2.gz YIJVFVRIUUHUFU-FXAWDEMLSA-N 2 1 314.473 3.089 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000180123152 432079172 /nfs/dbraw/zinc/07/91/72/432079172.db2.gz CNTCTUUGCHKGSJ-UHFFFAOYSA-N 2 1 306.498 3.408 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414805931 236874096 /nfs/dbraw/zinc/87/40/96/236874096.db2.gz YYNZXLFWRYCDGU-TVQRCGJNSA-N 2 1 317.658 3.320 20 0 DGADMP Clc1ccc(OCC2CC2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414899947 236936873 /nfs/dbraw/zinc/93/68/73/236936873.db2.gz CQJQTQOKGWZWDC-MRXNPFEDSA-N 2 1 308.853 3.361 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058228 237040314 /nfs/dbraw/zinc/04/03/14/237040314.db2.gz VFZMSCDQIKNZJU-HOCLYGCPSA-N 2 1 310.388 3.252 20 0 DGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415076379 237059802 /nfs/dbraw/zinc/05/98/02/237059802.db2.gz GIWCFQSJMAAJJS-YUELXQCFSA-N 2 1 316.367 3.037 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000415127968 237099830 /nfs/dbraw/zinc/09/98/30/237099830.db2.gz NQGVUEWAPSNWMY-OCCSQVGLSA-N 2 1 318.852 3.147 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000180406627 432085520 /nfs/dbraw/zinc/08/55/20/432085520.db2.gz FKMTVOWXSWNTNW-SFHVURJKSA-N 2 1 304.503 3.479 20 0 DGADMP C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C[C@H](C)O ZINC000281120241 216091657 /nfs/dbraw/zinc/09/16/57/216091657.db2.gz XNFFOXVXNFGHMT-WSCVDHEUSA-N 2 1 318.505 3.426 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869253 432087744 /nfs/dbraw/zinc/08/77/44/432087744.db2.gz VLTRWGZCUAGBKR-YLJYHZDGSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869253 432087747 /nfs/dbraw/zinc/08/77/47/432087747.db2.gz VLTRWGZCUAGBKR-YLJYHZDGSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869253 432087748 /nfs/dbraw/zinc/08/77/48/432087748.db2.gz VLTRWGZCUAGBKR-YLJYHZDGSA-N 2 1 313.489 3.201 20 0 DGADMP C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCCC[NH2+]1 ZINC000422912651 237809805 /nfs/dbraw/zinc/80/98/05/237809805.db2.gz WOQMCWYEWZHPHZ-UONOGXRCSA-N 2 1 307.507 3.075 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000189217777 200365278 /nfs/dbraw/zinc/36/52/78/200365278.db2.gz ZSPWYIRRKFDQEA-OALUTQOASA-N 2 1 314.473 3.066 20 0 DGADMP CO[C@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000425390896 237941562 /nfs/dbraw/zinc/94/15/62/237941562.db2.gz CJRCMRFHOZMOCW-HXUWFJFHSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H]1CN(c2cccc(F)c2)CCN1CC[C@@H]1CCCC[N@H+]1C ZINC000429240001 238044438 /nfs/dbraw/zinc/04/44/38/238044438.db2.gz SICCZLLYXJXBFR-WMZOPIPTSA-N 2 1 319.468 3.211 20 0 DGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccccc1 ZINC000298120744 283559566 /nfs/dbraw/zinc/55/95/66/283559566.db2.gz PHJJPSIVCNQDOF-RTBURBONSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601875 238081422 /nfs/dbraw/zinc/08/14/22/238081422.db2.gz VIAFDEMEDLSJNJ-NEPJUHHUSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601875 238081423 /nfs/dbraw/zinc/08/14/23/238081423.db2.gz VIAFDEMEDLSJNJ-NEPJUHHUSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430936653 238090666 /nfs/dbraw/zinc/09/06/66/238090666.db2.gz VPPPPNGOGXPQDQ-PXNSSMCTSA-N 2 1 324.468 3.462 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430950180 238091107 /nfs/dbraw/zinc/09/11/07/238091107.db2.gz GMKVYQJNQMPBSJ-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000432410946 238127712 /nfs/dbraw/zinc/12/77/12/238127712.db2.gz TVZLSTRPFUXWHS-MSOLQXFVSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)CCCO1 ZINC000432421689 238128331 /nfs/dbraw/zinc/12/83/31/238128331.db2.gz AQKLHOBZUQPJNY-VQIMIIECSA-N 2 1 316.489 3.500 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CCCO1 ZINC000432425753 238128573 /nfs/dbraw/zinc/12/85/73/238128573.db2.gz XBTKTHMJOYHDMI-RLLQIKCJSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CCCO1 ZINC000432425753 238128574 /nfs/dbraw/zinc/12/85/74/238128574.db2.gz XBTKTHMJOYHDMI-RLLQIKCJSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000272007560 209378311 /nfs/dbraw/zinc/37/83/11/209378311.db2.gz FMIVYIXXHMXCPR-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000272007560 209378308 /nfs/dbraw/zinc/37/83/08/209378308.db2.gz FMIVYIXXHMXCPR-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1ccc(-c2nc(C[NH2+]CC3=CC[N@H+](C)CC3)cs2)cc1 ZINC000271910854 209316754 /nfs/dbraw/zinc/31/67/54/209316754.db2.gz SAGJLANAPKNTCZ-UHFFFAOYSA-N 2 1 313.470 3.470 20 0 DGADMP Cc1ccc(-c2nc(C[NH2+]CC3=CC[N@@H+](C)CC3)cs2)cc1 ZINC000271910854 209316758 /nfs/dbraw/zinc/31/67/58/209316758.db2.gz SAGJLANAPKNTCZ-UHFFFAOYSA-N 2 1 313.470 3.470 20 0 DGADMP Cn1cnc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc21 ZINC000271897865 209307686 /nfs/dbraw/zinc/30/76/86/209307686.db2.gz YOXGHVPXUOSZBA-KRWDZBQOSA-N 2 1 312.461 3.024 20 0 DGADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc21 ZINC000271897865 209307688 /nfs/dbraw/zinc/30/76/88/209307688.db2.gz YOXGHVPXUOSZBA-KRWDZBQOSA-N 2 1 312.461 3.024 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193301033 201025017 /nfs/dbraw/zinc/02/50/17/201025017.db2.gz FOMQSTNUXNVGCM-VXJBINDRSA-N 2 1 314.473 3.099 20 0 DGADMP COC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000193667146 201098611 /nfs/dbraw/zinc/09/86/11/201098611.db2.gz IPPYZQUKIZYGFM-GUYCJALGSA-N 2 1 321.852 3.458 20 0 DGADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000271871376 209284617 /nfs/dbraw/zinc/28/46/17/209284617.db2.gz XUVKTADVAUQLHR-UHFFFAOYSA-N 2 1 305.472 3.223 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000271871376 209284619 /nfs/dbraw/zinc/28/46/19/209284619.db2.gz XUVKTADVAUQLHR-UHFFFAOYSA-N 2 1 305.472 3.223 20 0 DGADMP C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442720143 239116089 /nfs/dbraw/zinc/11/60/89/239116089.db2.gz SJFXZPCESUMGLS-OAGGEKHMSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442720143 239116094 /nfs/dbraw/zinc/11/60/94/239116094.db2.gz SJFXZPCESUMGLS-OAGGEKHMSA-N 2 1 311.473 3.345 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000442758588 239121042 /nfs/dbraw/zinc/12/10/42/239121042.db2.gz OZSVLCRDOYPGBB-KRWDZBQOSA-N 2 1 322.412 3.041 20 0 DGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442781668 239122607 /nfs/dbraw/zinc/12/26/07/239122607.db2.gz OPMJJVPBBIMGGW-UTUOFQBUSA-N 2 1 320.824 3.120 20 0 DGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442781668 239122609 /nfs/dbraw/zinc/12/26/09/239122609.db2.gz OPMJJVPBBIMGGW-UTUOFQBUSA-N 2 1 320.824 3.120 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000442932741 239153776 /nfs/dbraw/zinc/15/37/76/239153776.db2.gz YYFNFJHBSHMMTJ-ZDUSSCGKSA-N 2 1 316.367 3.189 20 0 DGADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443057354 239167253 /nfs/dbraw/zinc/16/72/53/239167253.db2.gz GKQCMIYXMIROAD-CABCVRRESA-N 2 1 314.433 3.167 20 0 DGADMP COCC[N@@H+](C)CCCNc1cc(C)nc2c(F)cccc12 ZINC000443424585 239199181 /nfs/dbraw/zinc/19/91/81/239199181.db2.gz GZIJLCLCPUVHEA-UHFFFAOYSA-N 2 1 305.397 3.063 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000271845627 209262353 /nfs/dbraw/zinc/26/23/53/209262353.db2.gz HQNINFPDZHXSDO-GFCCVEGCSA-N 2 1 309.251 3.362 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1SC ZINC000271836405 209255067 /nfs/dbraw/zinc/25/50/67/209255067.db2.gz FVPRGSGZOOVSRS-CYBMUJFWSA-N 2 1 306.475 3.330 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000275486482 212364893 /nfs/dbraw/zinc/36/48/93/212364893.db2.gz ITFMMZFKONWPGQ-OLZOCXBDSA-N 2 1 321.371 3.398 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449070493 240001819 /nfs/dbraw/zinc/00/18/19/240001819.db2.gz CWLGMNZOXKXVIS-WOJBJXKFSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449104755 240020409 /nfs/dbraw/zinc/02/04/09/240020409.db2.gz BCQJWHZEPXPRDL-LBPRGKRZSA-N 2 1 307.438 3.379 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)O1 ZINC000449107740 240021443 /nfs/dbraw/zinc/02/14/43/240021443.db2.gz RELLEMHPWZUMRC-AIANPOQGSA-N 2 1 308.491 3.116 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)O1 ZINC000449107740 240021449 /nfs/dbraw/zinc/02/14/49/240021449.db2.gz RELLEMHPWZUMRC-AIANPOQGSA-N 2 1 308.491 3.116 20 0 DGADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCC[C@H]1C ZINC000449131222 240030396 /nfs/dbraw/zinc/03/03/96/240030396.db2.gz KXYHIUZNJUHZKJ-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)[nH+]c1 ZINC000449163911 240046903 /nfs/dbraw/zinc/04/69/03/240046903.db2.gz OBZOHIWBPZNKQB-QGZVFWFLSA-N 2 1 315.461 3.050 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000449205977 240067702 /nfs/dbraw/zinc/06/77/02/240067702.db2.gz KYERCSLOVABZAI-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000449205977 240067706 /nfs/dbraw/zinc/06/77/06/240067706.db2.gz KYERCSLOVABZAI-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275405319 212313207 /nfs/dbraw/zinc/31/32/07/212313207.db2.gz CTLRKCOABNYTJC-DZGCQCFKSA-N 2 1 303.837 3.320 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)COC1 ZINC000449596191 240311375 /nfs/dbraw/zinc/31/13/75/240311375.db2.gz ABBZEYCUNMKOAY-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)COC1 ZINC000449596191 240311385 /nfs/dbraw/zinc/31/13/85/240311385.db2.gz ABBZEYCUNMKOAY-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449727965 240384100 /nfs/dbraw/zinc/38/41/00/240384100.db2.gz SMAGJKYXQQJQAP-AEFFLSMTSA-N 2 1 318.505 3.284 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000091285196 193031767 /nfs/dbraw/zinc/03/17/67/193031767.db2.gz CBZIFOGCKJYAJR-FQEVSTJZSA-N 2 1 317.521 3.391 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331169 212276559 /nfs/dbraw/zinc/27/65/59/212276559.db2.gz ZGBFEIJGJWOCOJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331169 212276561 /nfs/dbraw/zinc/27/65/61/212276561.db2.gz ZGBFEIJGJWOCOJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331169 212276564 /nfs/dbraw/zinc/27/65/64/212276564.db2.gz ZGBFEIJGJWOCOJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331169 212276565 /nfs/dbraw/zinc/27/65/65/212276565.db2.gz ZGBFEIJGJWOCOJ-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451508044 241150244 /nfs/dbraw/zinc/15/02/44/241150244.db2.gz VXBVMGHFFLUFSX-ZWKOTPCHSA-N 2 1 313.445 3.165 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453391602 241761841 /nfs/dbraw/zinc/76/18/41/241761841.db2.gz DVLJQVSTLXEPBV-CQSZACIVSA-N 2 1 303.450 3.170 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456282588 242399984 /nfs/dbraw/zinc/39/99/84/242399984.db2.gz SCNJDMYIXYYNNW-MSOLQXFVSA-N 2 1 315.461 3.048 20 0 DGADMP CC(C)CCn1cccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604650 284013184 /nfs/dbraw/zinc/01/31/84/284013184.db2.gz REXSCZHFULAHBI-GOSISDBHSA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604650 284013185 /nfs/dbraw/zinc/01/31/85/284013185.db2.gz REXSCZHFULAHBI-GOSISDBHSA-N 2 1 303.494 3.452 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770614 284014350 /nfs/dbraw/zinc/01/43/50/284014350.db2.gz KZCNRHOSBVWEAB-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770614 284014354 /nfs/dbraw/zinc/01/43/54/284014354.db2.gz KZCNRHOSBVWEAB-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770614 284014356 /nfs/dbraw/zinc/01/43/56/284014356.db2.gz KZCNRHOSBVWEAB-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093770614 284014359 /nfs/dbraw/zinc/01/43/59/284014359.db2.gz KZCNRHOSBVWEAB-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253490 193181138 /nfs/dbraw/zinc/18/11/38/193181138.db2.gz RHYULCDWVMHJHN-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253490 193181141 /nfs/dbraw/zinc/18/11/41/193181141.db2.gz RHYULCDWVMHJHN-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253490 193181142 /nfs/dbraw/zinc/18/11/42/193181142.db2.gz RHYULCDWVMHJHN-HNNXBMFYSA-N 2 1 312.404 3.104 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000275146850 212149930 /nfs/dbraw/zinc/14/99/30/212149930.db2.gz UTSUZFTZVPASKG-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)CC[N@H+]1Cc1ccccc1 ZINC000275146850 212149933 /nfs/dbraw/zinc/14/99/33/212149933.db2.gz UTSUZFTZVPASKG-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP c1cc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)ccn1 ZINC000459447299 243375288 /nfs/dbraw/zinc/37/52/88/243375288.db2.gz QDRVFRQIMANHHV-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000246317421 432118160 /nfs/dbraw/zinc/11/81/60/432118160.db2.gz FDRGHBNTSAZIQM-RRQGHBQHSA-N 2 1 310.869 3.347 20 0 DGADMP Cn1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000093006790 193193062 /nfs/dbraw/zinc/19/30/62/193193062.db2.gz MSIUCFTYGGNJIR-UHFFFAOYSA-N 2 1 311.473 3.369 20 0 DGADMP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261786117 203115940 /nfs/dbraw/zinc/11/59/40/203115940.db2.gz FWZAADQIORMCST-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000469860683 244130726 /nfs/dbraw/zinc/13/07/26/244130726.db2.gz GPIMJYRVHFAVKA-AGIUHOORSA-N 2 1 311.267 3.222 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000470019987 244138600 /nfs/dbraw/zinc/13/86/00/244138600.db2.gz WDERNGPDFXXLNN-QWHCGFSZSA-N 2 1 311.267 3.094 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000470019987 244138605 /nfs/dbraw/zinc/13/86/05/244138605.db2.gz WDERNGPDFXXLNN-QWHCGFSZSA-N 2 1 311.267 3.094 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000470023359 244141829 /nfs/dbraw/zinc/14/18/29/244141829.db2.gz ZYKOQILAKPZYSU-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000470023359 244141832 /nfs/dbraw/zinc/14/18/32/244141832.db2.gz ZYKOQILAKPZYSU-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CC2([NH+](C)C)CCCC2)cc1F ZINC000470105484 244144247 /nfs/dbraw/zinc/14/42/47/244144247.db2.gz PGSWKQUBEDHLLT-HNNXBMFYSA-N 2 1 322.468 3.477 20 0 DGADMP CCCn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088854 193202291 /nfs/dbraw/zinc/20/22/91/193202291.db2.gz CNGLCYKBBMPZAL-UHFFFAOYSA-N 2 1 314.477 3.220 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471581 244305577 /nfs/dbraw/zinc/30/55/77/244305577.db2.gz TWKSYXCIVHIMAQ-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472471581 244305581 /nfs/dbraw/zinc/30/55/81/244305581.db2.gz TWKSYXCIVHIMAQ-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472471581 244305584 /nfs/dbraw/zinc/30/55/84/244305584.db2.gz TWKSYXCIVHIMAQ-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472471581 244305585 /nfs/dbraw/zinc/30/55/85/244305585.db2.gz TWKSYXCIVHIMAQ-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471581 244305590 /nfs/dbraw/zinc/30/55/90/244305590.db2.gz TWKSYXCIVHIMAQ-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010753 212071679 /nfs/dbraw/zinc/07/16/79/212071679.db2.gz JHQWHFVNGAHHOX-SWLSCSKDSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010753 212071683 /nfs/dbraw/zinc/07/16/83/212071683.db2.gz JHQWHFVNGAHHOX-SWLSCSKDSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010753 212071685 /nfs/dbraw/zinc/07/16/85/212071685.db2.gz JHQWHFVNGAHHOX-SWLSCSKDSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010753 212071687 /nfs/dbraw/zinc/07/16/87/212071687.db2.gz JHQWHFVNGAHHOX-SWLSCSKDSA-N 2 1 316.367 3.357 20 0 DGADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564107 193270158 /nfs/dbraw/zinc/27/01/58/193270158.db2.gz ULQHAJVKTNNVQF-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564107 193270159 /nfs/dbraw/zinc/27/01/59/193270159.db2.gz ULQHAJVKTNNVQF-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093604624 193273446 /nfs/dbraw/zinc/27/34/46/193273446.db2.gz JCEVCWMBLIAEMZ-OAHLLOKOSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093604624 193273447 /nfs/dbraw/zinc/27/34/47/193273447.db2.gz JCEVCWMBLIAEMZ-OAHLLOKOSA-N 2 1 314.429 3.359 20 0 DGADMP COCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683541 193288663 /nfs/dbraw/zinc/28/86/63/193288663.db2.gz LXRZCVMDUBPGDG-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683541 193288665 /nfs/dbraw/zinc/28/86/65/193288665.db2.gz LXRZCVMDUBPGDG-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)c1C ZINC000093741942 193297921 /nfs/dbraw/zinc/29/79/21/193297921.db2.gz LGPBTVDUOVPTGN-KRWDZBQOSA-N 2 1 306.498 3.074 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)c1C ZINC000093741942 193297922 /nfs/dbraw/zinc/29/79/22/193297922.db2.gz LGPBTVDUOVPTGN-KRWDZBQOSA-N 2 1 306.498 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)c1C ZINC000093741942 193297923 /nfs/dbraw/zinc/29/79/23/193297923.db2.gz LGPBTVDUOVPTGN-KRWDZBQOSA-N 2 1 306.498 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)c1C ZINC000093741942 193297924 /nfs/dbraw/zinc/29/79/24/193297924.db2.gz LGPBTVDUOVPTGN-KRWDZBQOSA-N 2 1 306.498 3.074 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769952 193303631 /nfs/dbraw/zinc/30/36/31/193303631.db2.gz ZTFFAVGYBFCXNA-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769952 193303632 /nfs/dbraw/zinc/30/36/32/193303632.db2.gz ZTFFAVGYBFCXNA-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769952 193303634 /nfs/dbraw/zinc/30/36/34/193303634.db2.gz ZTFFAVGYBFCXNA-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769952 193303636 /nfs/dbraw/zinc/30/36/36/193303636.db2.gz ZTFFAVGYBFCXNA-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP COCCOc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093659948 193284372 /nfs/dbraw/zinc/28/43/72/193284372.db2.gz IJMYQRXGDQLWPC-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093659948 193284374 /nfs/dbraw/zinc/28/43/74/193284374.db2.gz IJMYQRXGDQLWPC-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000093659948 193284375 /nfs/dbraw/zinc/28/43/75/193284375.db2.gz IJMYQRXGDQLWPC-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000093659948 193284377 /nfs/dbraw/zinc/28/43/77/193284377.db2.gz IJMYQRXGDQLWPC-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2)c1 ZINC000093683386 193288027 /nfs/dbraw/zinc/28/80/27/193288027.db2.gz XAFRWYZNSSBAQJ-LJQANCHMSA-N 2 1 324.472 3.180 20 0 DGADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2)c1 ZINC000093683386 193288028 /nfs/dbraw/zinc/28/80/28/193288028.db2.gz XAFRWYZNSSBAQJ-LJQANCHMSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2[nH]ccc21 ZINC000486984707 245010557 /nfs/dbraw/zinc/01/05/57/245010557.db2.gz TWLAEGFCOYXWBE-YOEHRIQHSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984707 245010564 /nfs/dbraw/zinc/01/05/64/245010564.db2.gz TWLAEGFCOYXWBE-YOEHRIQHSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984707 245010567 /nfs/dbraw/zinc/01/05/67/245010567.db2.gz TWLAEGFCOYXWBE-YOEHRIQHSA-N 2 1 321.428 3.280 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2cccc(F)c2)C1 ZINC000490036143 245376582 /nfs/dbraw/zinc/37/65/82/245376582.db2.gz DYOZNXJJRFYCKI-GOSISDBHSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000490036143 245376585 /nfs/dbraw/zinc/37/65/85/245376585.db2.gz DYOZNXJJRFYCKI-GOSISDBHSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000490036143 245376589 /nfs/dbraw/zinc/37/65/89/245376589.db2.gz DYOZNXJJRFYCKI-GOSISDBHSA-N 2 1 304.453 3.422 20 0 DGADMP Cc1ncc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)s1 ZINC000490306883 245395730 /nfs/dbraw/zinc/39/57/30/245395730.db2.gz JILGVJQADHXGNY-UHFFFAOYSA-N 2 1 321.412 3.300 20 0 DGADMP Cc1ncc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000490306883 245395734 /nfs/dbraw/zinc/39/57/34/245395734.db2.gz JILGVJQADHXGNY-UHFFFAOYSA-N 2 1 321.412 3.300 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268713597 432125331 /nfs/dbraw/zinc/12/53/31/432125331.db2.gz LIWOZNZLIVWLRX-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000268713597 432125333 /nfs/dbraw/zinc/12/53/33/432125333.db2.gz LIWOZNZLIVWLRX-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000282522359 217059536 /nfs/dbraw/zinc/05/95/36/217059536.db2.gz YGUMOLSXPHXHGJ-AWEZNQCLSA-N 2 1 309.885 3.017 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccc(C)c1 ZINC000246386393 432125453 /nfs/dbraw/zinc/12/54/53/432125453.db2.gz AKKPIQXBCIYILI-ZIFCJYIRSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268731069 432127180 /nfs/dbraw/zinc/12/71/80/432127180.db2.gz AFRYEMRFEDNMLW-INIZCTEOSA-N 2 1 317.477 3.194 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268731069 432127182 /nfs/dbraw/zinc/12/71/82/432127182.db2.gz AFRYEMRFEDNMLW-INIZCTEOSA-N 2 1 317.477 3.194 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000282756361 217228466 /nfs/dbraw/zinc/22/84/66/217228466.db2.gz VMDVQWZPXWBXRG-MAUKXSAKSA-N 2 1 324.896 3.098 20 0 DGADMP OCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000266144668 205134423 /nfs/dbraw/zinc/13/44/23/205134423.db2.gz IIODDOOPLWHTGN-OAQYLSRUSA-N 2 1 324.468 3.364 20 0 DGADMP C[C@@H]1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H](C)C1 ZINC000127904463 284357148 /nfs/dbraw/zinc/35/71/48/284357148.db2.gz GFKATMSFCOWUBS-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H](C)C1 ZINC000127904652 284357409 /nfs/dbraw/zinc/35/74/09/284357409.db2.gz GFKATMSFCOWUBS-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000127871556 284355633 /nfs/dbraw/zinc/35/56/33/284355633.db2.gz HYQVBHUYGMMPRB-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000127871556 284355636 /nfs/dbraw/zinc/35/56/36/284355636.db2.gz HYQVBHUYGMMPRB-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268764407 432128942 /nfs/dbraw/zinc/12/89/42/432128942.db2.gz MXZPVSQQNAKRJJ-KRWDZBQOSA-N 2 1 314.477 3.312 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268764407 432128949 /nfs/dbraw/zinc/12/89/49/432128949.db2.gz MXZPVSQQNAKRJJ-KRWDZBQOSA-N 2 1 314.477 3.312 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccncc1 ZINC000282908317 217316734 /nfs/dbraw/zinc/31/67/34/217316734.db2.gz GCEYBZKNOVBAQH-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccncc1 ZINC000282908317 217316736 /nfs/dbraw/zinc/31/67/36/217316736.db2.gz GCEYBZKNOVBAQH-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1 ZINC000282908317 217316738 /nfs/dbraw/zinc/31/67/38/217316738.db2.gz GCEYBZKNOVBAQH-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1 ZINC000282908317 217316741 /nfs/dbraw/zinc/31/67/41/217316741.db2.gz GCEYBZKNOVBAQH-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1=CCCOC1 ZINC000288441923 220144467 /nfs/dbraw/zinc/14/44/67/220144467.db2.gz LYYXCQJOCYERNZ-UHFFFAOYSA-N 2 1 302.462 3.081 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246438857 432129935 /nfs/dbraw/zinc/12/99/35/432129935.db2.gz OJKQKZABWIHIKZ-IUVQAAGXSA-N 2 1 304.478 3.192 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772191 432131022 /nfs/dbraw/zinc/13/10/22/432131022.db2.gz MAZKWZSDDSGYLN-SNRMKQJTSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772191 432131017 /nfs/dbraw/zinc/13/10/17/432131017.db2.gz MAZKWZSDDSGYLN-SNRMKQJTSA-N 2 1 310.445 3.150 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3COc4ccccc43)CC2)cc1 ZINC000288544527 220222055 /nfs/dbraw/zinc/22/20/55/220222055.db2.gz LCDQZMRRSLNBJJ-SFHVURJKSA-N 2 1 322.452 3.417 20 0 DGADMP C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000268785070 432132048 /nfs/dbraw/zinc/13/20/48/432132048.db2.gz ZQUMRZGEPBALTC-TYNCELHUSA-N 2 1 310.388 3.421 20 0 DGADMP C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000268785070 432132053 /nfs/dbraw/zinc/13/20/53/432132053.db2.gz ZQUMRZGEPBALTC-TYNCELHUSA-N 2 1 310.388 3.421 20 0 DGADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000493892624 246093472 /nfs/dbraw/zinc/09/34/72/246093472.db2.gz XTSDSLMWYKODNO-PGYGNJIDSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC000493892624 246093479 /nfs/dbraw/zinc/09/34/79/246093479.db2.gz XTSDSLMWYKODNO-PGYGNJIDSA-N 2 1 314.473 3.341 20 0 DGADMP COCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000494350848 246137026 /nfs/dbraw/zinc/13/70/26/246137026.db2.gz QPPIXVRHQVRUIN-UHFFFAOYSA-N 2 1 304.478 3.222 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000494954311 246215497 /nfs/dbraw/zinc/21/54/97/246215497.db2.gz RCGVYWUGFCKPIW-CQSZACIVSA-N 2 1 316.898 3.334 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nccs1 ZINC000268805936 432138376 /nfs/dbraw/zinc/13/83/76/432138376.db2.gz KQGGWXORLMFCIE-RDJZCZTQSA-N 2 1 315.486 3.186 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000246505366 432138674 /nfs/dbraw/zinc/13/86/74/432138674.db2.gz SUXIYMYMISCGMX-NSNWQYSKSA-N 2 1 310.869 3.346 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000246508735 432140660 /nfs/dbraw/zinc/14/06/60/432140660.db2.gz SQAFXKSODLPJDS-FUMNGEBKSA-N 2 1 321.553 3.161 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCO1 ZINC000268816814 432141166 /nfs/dbraw/zinc/14/11/66/432141166.db2.gz MPUWPZGYHIZNCU-RNIPGJKVSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCO1 ZINC000268816814 432141167 /nfs/dbraw/zinc/14/11/67/432141167.db2.gz MPUWPZGYHIZNCU-RNIPGJKVSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCCC2 ZINC000181809110 432145170 /nfs/dbraw/zinc/14/51/70/432145170.db2.gz AUOXIEUTLMMNOC-IRXDYDNUSA-N 2 1 305.466 3.299 20 0 DGADMP C[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C[C@@H]1n1ccnc1 ZINC000136085170 432146342 /nfs/dbraw/zinc/14/63/42/432146342.db2.gz FNOVSAJXJAGUPG-ZBFHGGJFSA-N 2 1 319.836 3.498 20 0 DGADMP c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000268883056 432146744 /nfs/dbraw/zinc/14/67/44/432146744.db2.gz BXNQIZBFMMIBMV-PKOBYXMFSA-N 2 1 311.429 3.161 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(N2CCCC2)c1 ZINC000181893177 432148851 /nfs/dbraw/zinc/14/88/51/432148851.db2.gz SFSUDRGOAISIPZ-FUHWJXTLSA-N 2 1 301.478 3.422 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000152613375 284631700 /nfs/dbraw/zinc/63/17/00/284631700.db2.gz BTPLVQWMINSYMN-HKUYNNGSSA-N 2 1 308.510 3.458 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000042900700 183317714 /nfs/dbraw/zinc/31/77/14/183317714.db2.gz IPTHPAOGZFZDBF-AWEZNQCLSA-N 2 1 316.449 3.332 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000042900700 183317717 /nfs/dbraw/zinc/31/77/17/183317717.db2.gz IPTHPAOGZFZDBF-AWEZNQCLSA-N 2 1 316.449 3.332 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1 ZINC000105443467 194104056 /nfs/dbraw/zinc/10/40/56/194104056.db2.gz WHWQANGJCJREMU-LBPRGKRZSA-N 2 1 322.250 3.380 20 0 DGADMP C/C=C/C[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285128733 218301065 /nfs/dbraw/zinc/30/10/65/218301065.db2.gz LKLQQRZEPHTDIC-HIPDSHSTSA-N 2 1 316.489 3.346 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1SC ZINC000268838371 207002628 /nfs/dbraw/zinc/00/26/28/207002628.db2.gz UYDCKPHPVIVLLB-GFCCVEGCSA-N 2 1 305.447 3.273 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000268901051 207069277 /nfs/dbraw/zinc/06/92/77/207069277.db2.gz KZKDONPOIRFSCV-DOTOQJQBSA-N 2 1 320.502 3.050 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268889171 207058843 /nfs/dbraw/zinc/05/88/43/207058843.db2.gz NLZCHMGSMANABT-RNIPGJKVSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268889171 207058847 /nfs/dbraw/zinc/05/88/47/207058847.db2.gz NLZCHMGSMANABT-RNIPGJKVSA-N 2 1 304.478 3.036 20 0 DGADMP CCOCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268905266 207073956 /nfs/dbraw/zinc/07/39/56/207073956.db2.gz XPZDTWIOYUCHCN-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268905266 207073961 /nfs/dbraw/zinc/07/39/61/207073961.db2.gz XPZDTWIOYUCHCN-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268912951 207080995 /nfs/dbraw/zinc/08/09/95/207080995.db2.gz ZEQDVIMZDUGWKG-INIZCTEOSA-N 2 1 323.444 3.177 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)cc1 ZINC000269001348 207156416 /nfs/dbraw/zinc/15/64/16/207156416.db2.gz PKFHTRVHCRKQDN-KFWWJZLASA-N 2 1 301.434 3.238 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269068874 207218351 /nfs/dbraw/zinc/21/83/51/207218351.db2.gz ZNXPURDMCXQEGN-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000414803740 296329664 /nfs/dbraw/zinc/32/96/64/296329664.db2.gz NYSIXVFQRZARBS-NEPXVJNWSA-N 3 1 307.526 3.137 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000153158220 252640881 /nfs/dbraw/zinc/64/08/81/252640881.db2.gz BHYZODWWASWAOO-GDBMZVCRSA-N 2 1 320.477 3.054 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H]1C ZINC000248649231 285013963 /nfs/dbraw/zinc/01/39/63/285013963.db2.gz RFWLHCBHBVWGDL-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000119652526 195009313 /nfs/dbraw/zinc/00/93/13/195009313.db2.gz BDXLUNLHKSOOEE-CQSZACIVSA-N 2 1 318.461 3.290 20 0 DGADMP FC(F)Oc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249061098 285051145 /nfs/dbraw/zinc/05/11/45/285051145.db2.gz PPINEKAUACEFMV-CABCVRRESA-N 2 1 310.388 3.047 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000119943337 195067268 /nfs/dbraw/zinc/06/72/68/195067268.db2.gz PVSULJVJGAJVLG-GJZGRUSLSA-N 2 1 304.434 3.330 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000119943337 195067270 /nfs/dbraw/zinc/06/72/70/195067270.db2.gz PVSULJVJGAJVLG-GJZGRUSLSA-N 2 1 304.434 3.330 20 0 DGADMP CCC(C)(C)OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000308541943 252904011 /nfs/dbraw/zinc/90/40/11/252904011.db2.gz KLUMHUWRRITBDC-UHFFFAOYSA-N 2 1 304.478 3.446 20 0 DGADMP COc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000336855007 253009111 /nfs/dbraw/zinc/00/91/11/253009111.db2.gz TZFCVGSYTCLYDD-KGLIPLIRSA-N 2 1 324.852 3.074 20 0 DGADMP CC(C)OCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249499896 285076649 /nfs/dbraw/zinc/07/66/49/285076649.db2.gz WYCIJZUKPHXBSU-DZFIZOCASA-N 2 1 304.478 3.158 20 0 DGADMP CC(C)n1nccc1CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209358 253062395 /nfs/dbraw/zinc/06/23/95/253062395.db2.gz RZWFATMELLZSCF-JKSUJKDBSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337209358 253062398 /nfs/dbraw/zinc/06/23/98/253062398.db2.gz RZWFATMELLZSCF-JKSUJKDBSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209358 253062401 /nfs/dbraw/zinc/06/24/01/253062401.db2.gz RZWFATMELLZSCF-JKSUJKDBSA-N 2 1 304.482 3.207 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373544 253100174 /nfs/dbraw/zinc/10/01/74/253100174.db2.gz FGZCFHKAUCSVCZ-HZPDHXFCSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373544 253100177 /nfs/dbraw/zinc/10/01/77/253100177.db2.gz FGZCFHKAUCSVCZ-HZPDHXFCSA-N 2 1 322.493 3.263 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337407813 253109149 /nfs/dbraw/zinc/10/91/49/253109149.db2.gz VCKCZNLUXWTXDA-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337407813 253109151 /nfs/dbraw/zinc/10/91/51/253109151.db2.gz VCKCZNLUXWTXDA-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337493173 253126667 /nfs/dbraw/zinc/12/66/67/253126667.db2.gz AXQSOONQDWVJBS-SUMWQHHRSA-N 2 1 303.425 3.169 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337493171 253126909 /nfs/dbraw/zinc/12/69/09/253126909.db2.gz AXQSOONQDWVJBS-GUYCJALGSA-N 2 1 303.425 3.169 20 0 DGADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000337801037 253176465 /nfs/dbraw/zinc/17/64/65/253176465.db2.gz IBLSQMSNQHQSMW-IBGZPJMESA-N 2 1 311.473 3.415 20 0 DGADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000337801037 253176466 /nfs/dbraw/zinc/17/64/66/253176466.db2.gz IBLSQMSNQHQSMW-IBGZPJMESA-N 2 1 311.473 3.415 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000338020352 253211778 /nfs/dbraw/zinc/21/17/78/253211778.db2.gz SJEVMCIOEJYSBB-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000338020352 253211780 /nfs/dbraw/zinc/21/17/80/253211780.db2.gz SJEVMCIOEJYSBB-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOC(C)C ZINC000270323793 208393773 /nfs/dbraw/zinc/39/37/73/208393773.db2.gz KOEBMQGGMCANJM-INIZCTEOSA-N 2 1 301.434 3.234 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]1C1CCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000337999354 253207267 /nfs/dbraw/zinc/20/72/67/253207267.db2.gz OFUBXBGSBHSPDM-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1n[nH]cc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174363 253236841 /nfs/dbraw/zinc/23/68/41/253236841.db2.gz BBXMNNWNYWRFHR-YJBOKZPZSA-N 2 1 312.461 3.108 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000338280806 253256175 /nfs/dbraw/zinc/25/61/75/253256175.db2.gz UCMYVJKGPPDQQV-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000338280806 253256177 /nfs/dbraw/zinc/25/61/77/253256177.db2.gz UCMYVJKGPPDQQV-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000338280809 253256330 /nfs/dbraw/zinc/25/63/30/253256330.db2.gz UCMYVJKGPPDQQV-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000338280809 253256332 /nfs/dbraw/zinc/25/63/32/253256332.db2.gz UCMYVJKGPPDQQV-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000338432482 253286671 /nfs/dbraw/zinc/28/66/71/253286671.db2.gz WRJHHXZEBBCJER-RBUKOAKNSA-N 2 1 324.472 3.112 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000338544635 253306874 /nfs/dbraw/zinc/30/68/74/253306874.db2.gz CVIFOYOHCSKVOT-IEBWSBKVSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544635 253306875 /nfs/dbraw/zinc/30/68/75/253306875.db2.gz CVIFOYOHCSKVOT-IEBWSBKVSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544635 253306877 /nfs/dbraw/zinc/30/68/77/253306877.db2.gz CVIFOYOHCSKVOT-IEBWSBKVSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)cc1F ZINC000340465812 253626931 /nfs/dbraw/zinc/62/69/31/253626931.db2.gz UURFHMCOELEQGM-UGSOOPFHSA-N 2 1 317.408 3.367 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750141 296386618 /nfs/dbraw/zinc/38/66/18/296386618.db2.gz ABUHWOSIZVJHAN-FCGDIQPGSA-N 2 1 321.553 3.397 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750141 296386619 /nfs/dbraw/zinc/38/66/19/296386619.db2.gz ABUHWOSIZVJHAN-FCGDIQPGSA-N 2 1 321.553 3.397 20 0 DGADMP CC[C@H](CO)[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342634166 254022753 /nfs/dbraw/zinc/02/27/53/254022753.db2.gz PASALGBVCUKEFF-LJQANCHMSA-N 2 1 315.461 3.245 20 0 DGADMP CC[C@H](CO)[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342634166 254022756 /nfs/dbraw/zinc/02/27/56/254022756.db2.gz PASALGBVCUKEFF-LJQANCHMSA-N 2 1 315.461 3.245 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]2C(C)C)CC1 ZINC000342867410 254068394 /nfs/dbraw/zinc/06/83/94/254068394.db2.gz QWVJYMDEFIAZPJ-SFHVURJKSA-N 2 1 301.478 3.059 20 0 DGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034128 254089052 /nfs/dbraw/zinc/08/90/52/254089052.db2.gz MHRQJTOMJCPNBY-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034128 254089053 /nfs/dbraw/zinc/08/90/53/254089053.db2.gz MHRQJTOMJCPNBY-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076990 254095296 /nfs/dbraw/zinc/09/52/96/254095296.db2.gz YOBBQAIQJZUKGK-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076990 254095298 /nfs/dbraw/zinc/09/52/98/254095298.db2.gz YOBBQAIQJZUKGK-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095205 254098341 /nfs/dbraw/zinc/09/83/41/254098341.db2.gz ILKOFLZBNUZLMI-FUHWJXTLSA-N 2 1 322.880 3.010 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343116276 254101463 /nfs/dbraw/zinc/10/14/63/254101463.db2.gz GSSWBPAAWYOXTP-DJIMGWMZSA-N 2 1 320.477 3.097 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000343116276 254101465 /nfs/dbraw/zinc/10/14/65/254101465.db2.gz GSSWBPAAWYOXTP-DJIMGWMZSA-N 2 1 320.477 3.097 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1C)CCS2 ZINC000343507398 254153362 /nfs/dbraw/zinc/15/33/62/254153362.db2.gz OVKIAAUTGURZKR-OAHLLOKOSA-N 2 1 303.431 3.027 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000343513524 254154179 /nfs/dbraw/zinc/15/41/79/254154179.db2.gz PFMWHDBOWDXCKQ-MRXNPFEDSA-N 2 1 306.425 3.287 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)s2)o1 ZINC000343602991 254166826 /nfs/dbraw/zinc/16/68/26/254166826.db2.gz FYTSMUOYOVSXPC-KBPBESRZSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)s2)o1 ZINC000343602991 254166828 /nfs/dbraw/zinc/16/68/28/254166828.db2.gz FYTSMUOYOVSXPC-KBPBESRZSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000343738990 254183147 /nfs/dbraw/zinc/18/31/47/254183147.db2.gz XFWRNQSTNFYXSO-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080327 254222548 /nfs/dbraw/zinc/22/25/48/254222548.db2.gz VACWWBILGNARLV-OKZBNKHCSA-N 2 1 306.494 3.188 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080327 254222549 /nfs/dbraw/zinc/22/25/49/254222549.db2.gz VACWWBILGNARLV-OKZBNKHCSA-N 2 1 306.494 3.188 20 0 DGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cccc(-c3ccncc3)c1)C2 ZINC000344091518 254224138 /nfs/dbraw/zinc/22/41/38/254224138.db2.gz NRYRFZATZPKGRY-QGZVFWFLSA-N 2 1 318.424 3.297 20 0 DGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000344102387 254225494 /nfs/dbraw/zinc/22/54/94/254225494.db2.gz NLPGDDOOAQXHLA-JKSUJKDBSA-N 2 1 312.885 3.329 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344197880 254237917 /nfs/dbraw/zinc/23/79/17/254237917.db2.gz NRFAKBQCAPXRBI-YZGWKJHDSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344197880 254237918 /nfs/dbraw/zinc/23/79/18/254237918.db2.gz NRFAKBQCAPXRBI-YZGWKJHDSA-N 2 1 316.489 3.039 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000344297028 254252024 /nfs/dbraw/zinc/25/20/24/254252024.db2.gz MLCRLXCLQRZUIR-XMTFNYHQSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000344297028 254252025 /nfs/dbraw/zinc/25/20/25/254252025.db2.gz MLCRLXCLQRZUIR-XMTFNYHQSA-N 2 1 306.494 3.044 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000343991386 254210379 /nfs/dbraw/zinc/21/03/79/254210379.db2.gz QDMDSFBKCZKMJE-GVDBMIGSSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000343991386 254210380 /nfs/dbraw/zinc/21/03/80/254210380.db2.gz QDMDSFBKCZKMJE-GVDBMIGSSA-N 2 1 306.498 3.156 20 0 DGADMP CC1(C)CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000344524089 254279585 /nfs/dbraw/zinc/27/95/85/254279585.db2.gz IQAGHPLRGIYCDP-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344524089 254279587 /nfs/dbraw/zinc/27/95/87/254279587.db2.gz IQAGHPLRGIYCDP-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000344611833 254288374 /nfs/dbraw/zinc/28/83/74/254288374.db2.gz BVTDFRUHMPDXSA-HOCLYGCPSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000344611833 254288375 /nfs/dbraw/zinc/28/83/75/254288375.db2.gz BVTDFRUHMPDXSA-HOCLYGCPSA-N 2 1 306.450 3.056 20 0 DGADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC(C)C ZINC000345140907 254333183 /nfs/dbraw/zinc/33/31/83/254333183.db2.gz MTIQZUATACSIAR-UHFFFAOYSA-N 2 1 318.461 3.082 20 0 DGADMP C[C@@H](c1nnc(-c2cccs2)o1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345767054 254395193 /nfs/dbraw/zinc/39/51/93/254395193.db2.gz GSZBLWFMDCNDLC-STQMWFEESA-N 2 1 320.462 3.133 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000156598864 197126534 /nfs/dbraw/zinc/12/65/34/197126534.db2.gz PYHWJHXREDSAPO-PKOBYXMFSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000156598994 197126543 /nfs/dbraw/zinc/12/65/43/197126543.db2.gz PYHWJHXREDSAPO-IEBWSBKVSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737316 224202235 /nfs/dbraw/zinc/20/22/35/224202235.db2.gz HDFVISDWNKUKQL-LBTNJELSSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737316 224202236 /nfs/dbraw/zinc/20/22/36/224202236.db2.gz HDFVISDWNKUKQL-LBTNJELSSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737316 224202239 /nfs/dbraw/zinc/20/22/39/224202239.db2.gz HDFVISDWNKUKQL-LBTNJELSSA-N 2 1 308.416 3.484 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000271650399 209093611 /nfs/dbraw/zinc/09/36/11/209093611.db2.gz FCLQYMGJGUTWOG-KSSFIOAISA-N 2 1 303.450 3.170 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000271650399 209093614 /nfs/dbraw/zinc/09/36/14/209093614.db2.gz FCLQYMGJGUTWOG-KSSFIOAISA-N 2 1 303.450 3.170 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnccc2C)[C@H](C)C1 ZINC000271574512 209024960 /nfs/dbraw/zinc/02/49/60/209024960.db2.gz QEFCZTLNSFMNGD-LMMKCTJWSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnccc2C)[C@H](C)C1 ZINC000271574512 209024963 /nfs/dbraw/zinc/02/49/63/209024963.db2.gz QEFCZTLNSFMNGD-LMMKCTJWSA-N 2 1 319.493 3.178 20 0 DGADMP C[C@@H](CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000289500717 221022201 /nfs/dbraw/zinc/02/22/01/221022201.db2.gz SVUFRVYDUFAIMD-SFHVURJKSA-N 2 1 317.521 3.138 20 0 DGADMP CC[C@](C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000322513677 285307325 /nfs/dbraw/zinc/30/73/25/285307325.db2.gz AYLXREKFALQFPL-LJQANCHMSA-N 2 1 304.478 3.098 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289710028 221171077 /nfs/dbraw/zinc/17/10/77/221171077.db2.gz UGFCAFUMQAGUJC-SFHVURJKSA-N 2 1 312.461 3.110 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289710028 221171079 /nfs/dbraw/zinc/17/10/79/221171079.db2.gz UGFCAFUMQAGUJC-SFHVURJKSA-N 2 1 312.461 3.110 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCOC3(CCC3)C1)C2 ZINC000294899506 224295597 /nfs/dbraw/zinc/29/55/97/224295597.db2.gz ZCQHEBPWOVGICM-LJQANCHMSA-N 2 1 314.473 3.126 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCOC3(CCC3)C1)C2 ZINC000294899506 224295599 /nfs/dbraw/zinc/29/55/99/224295599.db2.gz ZCQHEBPWOVGICM-LJQANCHMSA-N 2 1 314.473 3.126 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC000294964440 224342076 /nfs/dbraw/zinc/34/20/76/224342076.db2.gz IMKPFJIJXDFKLU-GOOCMWNKSA-N 2 1 323.278 3.472 20 0 DGADMP Fc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(F)cn1 ZINC000295015745 224381108 /nfs/dbraw/zinc/38/11/08/224381108.db2.gz ZPGNZYIRHHAQNX-UHFFFAOYSA-N 2 1 323.431 3.448 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294998306 224368674 /nfs/dbraw/zinc/36/86/74/224368674.db2.gz LBXLRQLGYFXBIV-MIGBEJBISA-N 2 1 302.462 3.231 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2[nH]c1=O ZINC000349385732 285342922 /nfs/dbraw/zinc/34/29/22/285342922.db2.gz RHDSYERCLJFOJT-UHFFFAOYSA-N 2 1 301.434 3.104 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352242408 285352174 /nfs/dbraw/zinc/35/21/74/285352174.db2.gz VCKHXDBGHRIZKY-MSOLQXFVSA-N 2 1 324.509 3.306 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352242408 285352178 /nfs/dbraw/zinc/35/21/78/285352178.db2.gz VCKHXDBGHRIZKY-MSOLQXFVSA-N 2 1 324.509 3.306 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)CC1CCCC1 ZINC000352535737 285354000 /nfs/dbraw/zinc/35/40/00/285354000.db2.gz UZPRFZCIKLAEON-UHFFFAOYSA-N 2 1 312.461 3.418 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)CC1CCCC1 ZINC000352535737 285354007 /nfs/dbraw/zinc/35/40/07/285354007.db2.gz UZPRFZCIKLAEON-UHFFFAOYSA-N 2 1 312.461 3.418 20 0 DGADMP [NH3+]CCC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)CC1CCCC1 ZINC000352535737 285354011 /nfs/dbraw/zinc/35/40/11/285354011.db2.gz UZPRFZCIKLAEON-UHFFFAOYSA-N 2 1 312.461 3.418 20 0 DGADMP Clc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000352540688 285355424 /nfs/dbraw/zinc/35/54/24/285355424.db2.gz OGAKFBNGZICXHZ-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000352540688 285355426 /nfs/dbraw/zinc/35/54/26/285355426.db2.gz OGAKFBNGZICXHZ-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCCC23CCOCC3)([NH+](C)C)C1 ZINC000319669429 296455075 /nfs/dbraw/zinc/45/50/75/296455075.db2.gz PDWBJOAWFRISOQ-ZHALLVOQSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)cc1F ZINC000423564683 533385183 /nfs/dbraw/zinc/38/51/83/533385183.db2.gz SAFKYHYZNVEEQW-SNVBAGLBSA-N 2 1 315.230 3.381 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073477 533448467 /nfs/dbraw/zinc/44/84/67/533448467.db2.gz ZGZYFZSXPLITMK-BLLLJJGKSA-N 2 1 323.868 3.164 20 0 DGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000279001847 285537783 /nfs/dbraw/zinc/53/77/83/285537783.db2.gz ROMWXNMSIKKDEE-RDJZCZTQSA-N 2 1 323.440 3.482 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CC2CC[NH2+]CC2)cc1 ZINC000178975376 292094610 /nfs/dbraw/zinc/09/46/10/292094610.db2.gz RUXSYDMKGGDHIF-HXUWFJFHSA-N 2 1 316.489 3.018 20 0 DGADMP COC1(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCCC1 ZINC000483290798 292111254 /nfs/dbraw/zinc/11/12/54/292111254.db2.gz ACZJNVJVHMFJRO-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000090920437 400082481 /nfs/dbraw/zinc/08/24/81/400082481.db2.gz IRTNJFVINJLPIR-IXDOHACOSA-N 2 1 317.452 3.011 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000067507169 400174742 /nfs/dbraw/zinc/17/47/42/400174742.db2.gz AJUNYBIZSYPVFG-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1OC(C)C ZINC000067507232 400174792 /nfs/dbraw/zinc/17/47/92/400174792.db2.gz NRMVTCDVHLIHQH-MRXNPFEDSA-N 2 1 320.477 3.302 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1OC(C)C ZINC000067507232 400174796 /nfs/dbraw/zinc/17/47/96/400174796.db2.gz NRMVTCDVHLIHQH-MRXNPFEDSA-N 2 1 320.477 3.302 20 0 DGADMP Cc1cc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc(C)[nH+]1 ZINC000091476022 400121623 /nfs/dbraw/zinc/12/16/23/400121623.db2.gz YNEWULXBRSAREM-QGZVFWFLSA-N 2 1 302.466 3.042 20 0 DGADMP CSCC[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093558597 400249117 /nfs/dbraw/zinc/24/91/17/400249117.db2.gz VEXYLGYUZPAXNM-HNNXBMFYSA-N 2 1 310.507 3.200 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000595564870 400189583 /nfs/dbraw/zinc/18/95/83/400189583.db2.gz OLBKUVJFHPWSCQ-UHFFFAOYSA-N 2 1 305.466 3.107 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742093 400253505 /nfs/dbraw/zinc/25/35/05/400253505.db2.gz JAEYLOAGPCAGQT-AWEZNQCLSA-N 2 1 318.490 3.302 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742093 400253512 /nfs/dbraw/zinc/25/35/12/400253512.db2.gz JAEYLOAGPCAGQT-AWEZNQCLSA-N 2 1 318.490 3.302 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742093 400253514 /nfs/dbraw/zinc/25/35/14/400253514.db2.gz JAEYLOAGPCAGQT-AWEZNQCLSA-N 2 1 318.490 3.302 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093742093 400253520 /nfs/dbraw/zinc/25/35/20/400253520.db2.gz JAEYLOAGPCAGQT-AWEZNQCLSA-N 2 1 318.490 3.302 20 0 DGADMP Cc1csc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000069168683 400315042 /nfs/dbraw/zinc/31/50/42/400315042.db2.gz XFMUODGXXKXKJF-CQSZACIVSA-N 2 1 319.474 3.243 20 0 DGADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072826035 400407133 /nfs/dbraw/zinc/40/71/33/400407133.db2.gz COOUCBMHGBKXGY-SFHVURJKSA-N 2 1 324.428 3.039 20 0 DGADMP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+](C)C1CC1 ZINC000073331792 400443410 /nfs/dbraw/zinc/44/34/10/400443410.db2.gz WIHBWFMAMMTWNT-AWEZNQCLSA-N 2 1 324.428 3.038 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044533104 400494593 /nfs/dbraw/zinc/49/45/93/400494593.db2.gz WPNWJLFWEGMMOW-LLVKDONJSA-N 2 1 318.795 3.373 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044533104 400494597 /nfs/dbraw/zinc/49/45/97/400494597.db2.gz WPNWJLFWEGMMOW-LLVKDONJSA-N 2 1 318.795 3.373 20 0 DGADMP CC(C)[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000164565755 400750544 /nfs/dbraw/zinc/75/05/44/400750544.db2.gz KJAHERGEJBFQBK-MRXNPFEDSA-N 2 1 317.477 3.388 20 0 DGADMP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000079021317 400842172 /nfs/dbraw/zinc/84/21/72/400842172.db2.gz XEMZMOPVGOIMEN-AWEZNQCLSA-N 2 1 302.447 3.404 20 0 DGADMP COC(=O)CC1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000599022255 400930068 /nfs/dbraw/zinc/93/00/68/400930068.db2.gz PHZIVCRSDOTXKI-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCOCc2ccc(OC)cc2)CC1 ZINC000599179995 400988046 /nfs/dbraw/zinc/98/80/46/400988046.db2.gz MAPWZHYOHPBXBM-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C(F)(F)F ZINC000629653307 401021029 /nfs/dbraw/zinc/02/10/29/401021029.db2.gz DUWBRPKYVPZNSW-GJZGRUSLSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@@H]1C(F)(F)F ZINC000629654699 401019355 /nfs/dbraw/zinc/01/93/55/401019355.db2.gz PQYMJGWXGYOXGE-ZBFHGGJFSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C(F)(F)F ZINC000629653307 401021033 /nfs/dbraw/zinc/02/10/33/401021033.db2.gz DUWBRPKYVPZNSW-GJZGRUSLSA-N 2 1 323.362 3.194 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000629536499 400965170 /nfs/dbraw/zinc/96/51/70/400965170.db2.gz GGNSAPTVUWNCHQ-HNNXBMFYSA-N 2 1 301.478 3.477 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629652449 401018324 /nfs/dbraw/zinc/01/83/24/401018324.db2.gz ASTKGNOTMMGNDL-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629652449 401018327 /nfs/dbraw/zinc/01/83/27/401018327.db2.gz ASTKGNOTMMGNDL-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCSc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561256 400976109 /nfs/dbraw/zinc/97/61/09/400976109.db2.gz IAZURDQLSSWZPK-TZMCWYRMSA-N 2 1 318.408 3.238 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561256 400976115 /nfs/dbraw/zinc/97/61/15/400976115.db2.gz IAZURDQLSSWZPK-TZMCWYRMSA-N 2 1 318.408 3.238 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561902 400977713 /nfs/dbraw/zinc/97/77/13/400977713.db2.gz LHKMGTFINFTZSY-CABCVRRESA-N 2 1 300.368 3.208 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561902 400977720 /nfs/dbraw/zinc/97/77/20/400977720.db2.gz LHKMGTFINFTZSY-CABCVRRESA-N 2 1 300.368 3.208 20 0 DGADMP CCOCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629574540 400979201 /nfs/dbraw/zinc/97/92/01/400979201.db2.gz KDQNMVOWFSODFU-PXNSSMCTSA-N 2 1 316.489 3.402 20 0 DGADMP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1-c1ccccc1 ZINC000629578080 400980249 /nfs/dbraw/zinc/98/02/49/400980249.db2.gz XAOGDWLXWQVORN-FQEVSTJZSA-N 2 1 324.468 3.208 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599493721 401058363 /nfs/dbraw/zinc/05/83/63/401058363.db2.gz AZUDNVCXHZDOOV-SFHVURJKSA-N 2 1 321.465 3.168 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599493721 401058370 /nfs/dbraw/zinc/05/83/70/401058370.db2.gz AZUDNVCXHZDOOV-SFHVURJKSA-N 2 1 321.465 3.168 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C ZINC000629657176 401022284 /nfs/dbraw/zinc/02/22/84/401022284.db2.gz UJHVLERZGNTEIA-LSDHHAIUSA-N 2 1 300.368 3.263 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C ZINC000629657173 401022866 /nfs/dbraw/zinc/02/28/66/401022866.db2.gz UJHVLERZGNTEIA-CABCVRRESA-N 2 1 300.368 3.263 20 0 DGADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCOCC[NH3+])s2)cc1 ZINC000629665562 401027330 /nfs/dbraw/zinc/02/73/30/401027330.db2.gz WYKFHEIZIZKXSW-UHFFFAOYSA-N 2 1 304.459 3.131 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358236216 286006800 /nfs/dbraw/zinc/00/68/00/286006800.db2.gz AEMJQAYAGUXYCP-QZTJIDSGSA-N 2 1 304.482 3.098 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358236216 286006801 /nfs/dbraw/zinc/00/68/01/286006801.db2.gz AEMJQAYAGUXYCP-QZTJIDSGSA-N 2 1 304.482 3.098 20 0 DGADMP CCCc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)s1 ZINC000621333146 401171149 /nfs/dbraw/zinc/17/11/49/401171149.db2.gz VAGWYEJCUNYEAG-UHFFFAOYSA-N 2 1 310.507 3.291 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000062426996 401172241 /nfs/dbraw/zinc/17/22/41/401172241.db2.gz CJEKEELSIXISDY-AWEZNQCLSA-N 2 1 316.424 3.036 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000630060979 401173705 /nfs/dbraw/zinc/17/37/05/401173705.db2.gz UZQGAZBIKNKIPZ-HOJAQTOUSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000630060979 401173709 /nfs/dbraw/zinc/17/37/09/401173709.db2.gz UZQGAZBIKNKIPZ-HOJAQTOUSA-N 2 1 314.473 3.369 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089513725 401225056 /nfs/dbraw/zinc/22/50/56/401225056.db2.gz CPQHEQLKIFQKGS-RLFYNMQTSA-N 2 1 317.477 3.101 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000089513725 401225060 /nfs/dbraw/zinc/22/50/60/401225060.db2.gz CPQHEQLKIFQKGS-RLFYNMQTSA-N 2 1 317.477 3.101 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000090775262 401273669 /nfs/dbraw/zinc/27/36/69/401273669.db2.gz LYHNVULCEUCEHU-ZUPWUQBJSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358348051 286038741 /nfs/dbraw/zinc/03/87/41/286038741.db2.gz HAFMUEFZLCWIND-HUYLIWGRSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358348051 286038743 /nfs/dbraw/zinc/03/87/43/286038743.db2.gz HAFMUEFZLCWIND-HUYLIWGRSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090087317 401255341 /nfs/dbraw/zinc/25/53/41/401255341.db2.gz HLTMVARCLDDGRU-QGZVFWFLSA-N 2 1 318.505 3.080 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)cn1 ZINC000626180443 401317523 /nfs/dbraw/zinc/31/75/23/401317523.db2.gz MXMZOFNQDCRTTI-SFHVURJKSA-N 2 1 314.433 3.116 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)CC2)C1 ZINC000634732313 401340345 /nfs/dbraw/zinc/34/03/45/401340345.db2.gz COUFDBHWEGRJFZ-NEWSRXKRSA-N 3 1 321.553 3.397 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732393 401340440 /nfs/dbraw/zinc/34/04/40/401340440.db2.gz FLWZOKUAAPSMKF-NEWSRXKRSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732393 401340445 /nfs/dbraw/zinc/34/04/45/401340445.db2.gz FLWZOKUAAPSMKF-NEWSRXKRSA-N 2 1 315.505 3.190 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000631043361 401376261 /nfs/dbraw/zinc/37/62/61/401376261.db2.gz SUOHHGPWPQYIFS-IYBDPMFKSA-N 2 1 317.477 3.103 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000631043361 401376264 /nfs/dbraw/zinc/37/62/64/401376264.db2.gz SUOHHGPWPQYIFS-IYBDPMFKSA-N 2 1 317.477 3.103 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634998365 401398588 /nfs/dbraw/zinc/39/85/88/401398588.db2.gz DTCCIGGZCGFGRD-MAUKXSAKSA-N 2 1 310.441 3.389 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000635004769 401399253 /nfs/dbraw/zinc/39/92/53/401399253.db2.gz FBKSJFVAMXBYHC-WCQYABFASA-N 2 1 312.379 3.459 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635011245 401402288 /nfs/dbraw/zinc/40/22/88/401402288.db2.gz MVPZBGDFWMHVDO-CHWSQXEVSA-N 2 1 324.440 3.272 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000635012211 401403515 /nfs/dbraw/zinc/40/35/15/401403515.db2.gz JNALMJWTTVSPMG-MFKMUULPSA-N 2 1 318.795 3.419 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ccncc1F ZINC000631194784 401423009 /nfs/dbraw/zinc/42/30/09/401423009.db2.gz PNMNWUAEUOLAID-QAPCUYQASA-N 2 1 313.420 3.078 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196373 401423734 /nfs/dbraw/zinc/42/37/34/401423734.db2.gz QODZPNXSAYDRKG-WMZOPIPTSA-N 2 1 304.478 3.017 20 0 DGADMP COc1ccccc1-c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000623086214 401463173 /nfs/dbraw/zinc/46/31/73/401463173.db2.gz CLTPHLRJCKLVFA-UHFFFAOYSA-N 2 1 321.424 3.428 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086555 401463210 /nfs/dbraw/zinc/46/32/10/401463210.db2.gz ZTHVEVNMSWPONI-UHFFFAOYSA-N 2 1 321.424 3.428 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631569200 401500793 /nfs/dbraw/zinc/50/07/93/401500793.db2.gz KKHOMWHONLNPBT-XSLAGTTESA-N 2 1 306.494 3.046 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661721 401527625 /nfs/dbraw/zinc/52/76/25/401527625.db2.gz BWIWHHKSYGUCKD-BQFCYCMXSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCn2nccc21 ZINC000631664582 401529167 /nfs/dbraw/zinc/52/91/67/401529167.db2.gz PZZOYWFNKXEZDE-NEWSRXKRSA-N 2 1 324.472 3.076 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCn2nccc21 ZINC000631664582 401529172 /nfs/dbraw/zinc/52/91/72/401529172.db2.gz PZZOYWFNKXEZDE-NEWSRXKRSA-N 2 1 324.472 3.076 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664171 401529448 /nfs/dbraw/zinc/52/94/48/401529448.db2.gz MJZYHVYIAXJANZ-RLFYNMQTSA-N 2 1 312.461 3.137 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631668409 401531126 /nfs/dbraw/zinc/53/11/26/401531126.db2.gz XOXRBQALWUPFFF-BHIYHBOVSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631668409 401531127 /nfs/dbraw/zinc/53/11/27/401531127.db2.gz XOXRBQALWUPFFF-BHIYHBOVSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000623655714 401562379 /nfs/dbraw/zinc/56/23/79/401562379.db2.gz CGEVPLKPGAPDFI-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657245 401562918 /nfs/dbraw/zinc/56/29/18/401562918.db2.gz MCHCTEUJQAZDDH-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657245 401562920 /nfs/dbraw/zinc/56/29/20/401562920.db2.gz MCHCTEUJQAZDDH-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000623657769 401564297 /nfs/dbraw/zinc/56/42/97/401564297.db2.gz YQVVPJLJVPQGMB-QGZVFWFLSA-N 2 1 318.461 3.060 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)cc1 ZINC000623784879 401579697 /nfs/dbraw/zinc/57/96/97/401579697.db2.gz NXQLKNIBCVETGU-MOPGFXCFSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)cc1 ZINC000623784879 401579698 /nfs/dbraw/zinc/57/96/98/401579698.db2.gz NXQLKNIBCVETGU-MOPGFXCFSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)cc1 ZINC000623784880 401579716 /nfs/dbraw/zinc/57/97/16/401579716.db2.gz NXQLKNIBCVETGU-OALUTQOASA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)cc1 ZINC000623784880 401579717 /nfs/dbraw/zinc/57/97/17/401579717.db2.gz NXQLKNIBCVETGU-OALUTQOASA-N 2 1 307.441 3.465 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628174060 401542505 /nfs/dbraw/zinc/54/25/05/401542505.db2.gz VLPQRSKLIBCKPP-CQSZACIVSA-N 2 1 300.368 3.131 20 0 DGADMP Cc1nc(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[nH]c1C ZINC000628186566 401544798 /nfs/dbraw/zinc/54/47/98/401544798.db2.gz OMYZDNFXZDMETO-HNNXBMFYSA-N 2 1 312.461 3.123 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000631749258 401548907 /nfs/dbraw/zinc/54/89/07/401548907.db2.gz OODSTVVFZNRWSS-HXUWFJFHSA-N 2 1 315.505 3.033 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000631749258 401548911 /nfs/dbraw/zinc/54/89/11/401548911.db2.gz OODSTVVFZNRWSS-HXUWFJFHSA-N 2 1 315.505 3.033 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628205396 401549944 /nfs/dbraw/zinc/54/99/44/401549944.db2.gz NHAGHATWDJAHCZ-UHFFFAOYSA-N 2 1 311.351 3.433 20 0 DGADMP Cc1ccc([C@H](C)C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000628252971 401561402 /nfs/dbraw/zinc/56/14/02/401561402.db2.gz PHOIFLWIXFHHGS-QZTJIDSGSA-N 2 1 304.478 3.189 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624110284 401627010 /nfs/dbraw/zinc/62/70/10/401627010.db2.gz UUFFPHTVUUHNKV-MISYRCLQSA-N 2 1 318.505 3.284 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119581 401628464 /nfs/dbraw/zinc/62/84/64/401628464.db2.gz FMLQILYDKHPYHO-DNVCBOLYSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123172 401629016 /nfs/dbraw/zinc/62/90/16/401629016.db2.gz HDXKRCATMACIHB-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123172 401629017 /nfs/dbraw/zinc/62/90/17/401629017.db2.gz HDXKRCATMACIHB-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnn1-c1ccccc1 ZINC000624123172 401629018 /nfs/dbraw/zinc/62/90/18/401629018.db2.gz HDXKRCATMACIHB-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624299362 401647916 /nfs/dbraw/zinc/64/79/16/401647916.db2.gz JOOWMXVCDZSKNX-VYJAJWGXSA-N 2 1 314.473 3.054 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624124130 401629466 /nfs/dbraw/zinc/62/94/66/401629466.db2.gz XWWGFOZJLHNTSH-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000624124130 401629468 /nfs/dbraw/zinc/62/94/68/401629468.db2.gz XWWGFOZJLHNTSH-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1C(C)(C)C ZINC000624123727 401629742 /nfs/dbraw/zinc/62/97/42/401629742.db2.gz ROKTYZQINRXGQZ-GDBMZVCRSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000624123727 401629745 /nfs/dbraw/zinc/62/97/45/401629745.db2.gz ROKTYZQINRXGQZ-GDBMZVCRSA-N 2 1 306.498 3.329 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624259624 401644697 /nfs/dbraw/zinc/64/46/97/401644697.db2.gz RMNJVZNPJGIRAR-REPLKXPHSA-N 2 1 323.440 3.072 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624259624 401644700 /nfs/dbraw/zinc/64/47/00/401644700.db2.gz RMNJVZNPJGIRAR-REPLKXPHSA-N 2 1 323.440 3.072 20 0 DGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000358558905 286093436 /nfs/dbraw/zinc/09/34/36/286093436.db2.gz YQCRNDFOYDXCBM-INIZCTEOSA-N 2 1 317.477 3.341 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000358558905 286093437 /nfs/dbraw/zinc/09/34/37/286093437.db2.gz YQCRNDFOYDXCBM-INIZCTEOSA-N 2 1 317.477 3.341 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000358558905 286093438 /nfs/dbraw/zinc/09/34/38/286093438.db2.gz YQCRNDFOYDXCBM-INIZCTEOSA-N 2 1 317.477 3.341 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CCCCC2)cc1 ZINC000479288809 292205196 /nfs/dbraw/zinc/20/51/96/292205196.db2.gz VKWJJETVQDFQHI-PMACEKPBSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CCCCC2)cc1 ZINC000479288809 292205198 /nfs/dbraw/zinc/20/51/98/292205198.db2.gz VKWJJETVQDFQHI-PMACEKPBSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000358660480 286118050 /nfs/dbraw/zinc/11/80/50/286118050.db2.gz GLGGFZPCRCTWPB-NEPXVJNWSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358933704 286191289 /nfs/dbraw/zinc/19/12/89/286191289.db2.gz JUPUFTYLDGCOKA-JZXOWHBKSA-N 2 1 318.509 3.145 20 0 DGADMP C[NH+](C)[C@]1(CNc2cc[nH+]c3ccc(Cl)cc23)CCSC1 ZINC000359016809 286216085 /nfs/dbraw/zinc/21/60/85/286216085.db2.gz ICFMQPWUTGUVBK-INIZCTEOSA-N 2 1 321.877 3.159 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359039567 286221574 /nfs/dbraw/zinc/22/15/74/286221574.db2.gz VCWXMPSBOSDIDM-QRQLOZEOSA-N 2 1 304.478 3.097 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000359039567 286221576 /nfs/dbraw/zinc/22/15/76/286221576.db2.gz VCWXMPSBOSDIDM-QRQLOZEOSA-N 2 1 304.478 3.097 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+](C)CCC2CC[NH2+]CC2)cs1 ZINC000359199674 286259932 /nfs/dbraw/zinc/25/99/32/286259932.db2.gz DVHWTERDWQFYEI-CYBMUJFWSA-N 2 1 311.495 3.062 20 0 DGADMP CCO[C@H](C)c1nc(C[N@@H+](C)CCC2CC[NH2+]CC2)cs1 ZINC000359199674 286259933 /nfs/dbraw/zinc/25/99/33/286259933.db2.gz DVHWTERDWQFYEI-CYBMUJFWSA-N 2 1 311.495 3.062 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000480695029 286315371 /nfs/dbraw/zinc/31/53/71/286315371.db2.gz ITUZRESENGYCAG-DLBZAZTESA-N 2 1 304.478 3.480 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)n1 ZINC000359735495 286370544 /nfs/dbraw/zinc/37/05/44/286370544.db2.gz MEUVPITYJJSTAY-NVXWUHKLSA-N 2 1 305.466 3.080 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423497836 287064355 /nfs/dbraw/zinc/06/43/55/287064355.db2.gz HKIZQOOULITVRZ-SJKOYZFVSA-N 2 1 315.461 3.084 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000191788388 165270087 /nfs/dbraw/zinc/27/00/87/165270087.db2.gz PMFYWZCYVHHRQA-IBGZPJMESA-N 2 1 322.468 3.303 20 0 DGADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000191977780 165277723 /nfs/dbraw/zinc/27/77/23/165277723.db2.gz UXJXZYAOBAMIMI-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000192647736 165300684 /nfs/dbraw/zinc/30/06/84/165300684.db2.gz ALXJPWLBGXYTLM-IPQPSQTFSA-N 2 1 307.526 3.102 20 0 DGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1F ZINC000192931436 165309807 /nfs/dbraw/zinc/30/98/07/165309807.db2.gz SLFFOIXTSVBYNT-UYTSQGDYSA-N 2 1 306.425 3.198 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(Cl)c1 ZINC000193009755 165314744 /nfs/dbraw/zinc/31/47/44/165314744.db2.gz OWKLTQUXBHQIJZ-OHRKKDJYSA-N 2 1 308.853 3.322 20 0 DGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1C ZINC000193014874 165314815 /nfs/dbraw/zinc/31/48/15/165314815.db2.gz HQCRXSSDFFUAJR-HQSKLWIPSA-N 2 1 302.462 3.367 20 0 DGADMP CN1Cc2ccc(NC(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)cc2C1 ZINC000193596668 165329668 /nfs/dbraw/zinc/32/96/68/165329668.db2.gz ZEPDHZAYWJPJPY-UHFFFAOYSA-N 2 1 322.412 3.221 20 0 DGADMP CN1Cc2ccc(NC(=O)Nc3ccc4c(c3)C[N@H+](C)C4)cc2C1 ZINC000193596668 165329671 /nfs/dbraw/zinc/32/96/71/165329671.db2.gz ZEPDHZAYWJPJPY-UHFFFAOYSA-N 2 1 322.412 3.221 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194448525 165346297 /nfs/dbraw/zinc/34/62/97/165346297.db2.gz WUQJUBNRBHSZMG-VQIMIIECSA-N 2 1 300.446 3.494 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000216065971 165375506 /nfs/dbraw/zinc/37/55/06/165375506.db2.gz PMFIHDIJPMIMGQ-CMPLNLGQSA-N 2 1 304.381 3.468 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000365850185 287180628 /nfs/dbraw/zinc/18/06/28/287180628.db2.gz VNKCKLVNWKIUCK-OTWHNJEPSA-N 2 1 319.493 3.377 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000365850185 287180632 /nfs/dbraw/zinc/18/06/32/287180632.db2.gz VNKCKLVNWKIUCK-OTWHNJEPSA-N 2 1 319.493 3.377 20 0 DGADMP Cc1oncc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000128923758 196005051 /nfs/dbraw/zinc/00/50/51/196005051.db2.gz OZYRITICPUZYIG-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136323273 432152622 /nfs/dbraw/zinc/15/26/22/432152622.db2.gz VFRCVFWZBBGSNU-GJZGRUSLSA-N 2 1 301.434 3.144 20 0 DGADMP c1sc(C2CC2)nc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000136736607 432160771 /nfs/dbraw/zinc/16/07/71/432160771.db2.gz RJJZGOPMLUKPPO-PBHICJAKSA-N 2 1 317.502 3.469 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182261225 432171849 /nfs/dbraw/zinc/17/18/49/432171849.db2.gz AYHJSZFHNKCHAV-UWJYYQICSA-N 2 1 324.468 3.412 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246841453 432172073 /nfs/dbraw/zinc/17/20/73/432172073.db2.gz CEVPVUPWYGNVRG-APWZRJJASA-N 2 1 304.478 3.433 20 0 DGADMP CC[N@H+]1CC[C@H](NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886800 432178172 /nfs/dbraw/zinc/17/81/72/432178172.db2.gz DQTVWKDMCAXQEG-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886800 432178176 /nfs/dbraw/zinc/17/81/76/432178176.db2.gz DQTVWKDMCAXQEG-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886800 432178178 /nfs/dbraw/zinc/17/81/78/432178178.db2.gz DQTVWKDMCAXQEG-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886800 432178180 /nfs/dbraw/zinc/17/81/80/432178180.db2.gz DQTVWKDMCAXQEG-NSHGMRRFSA-N 3 1 317.521 3.217 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886800 432178182 /nfs/dbraw/zinc/17/81/82/432178182.db2.gz DQTVWKDMCAXQEG-NSHGMRRFSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886800 432178185 /nfs/dbraw/zinc/17/81/85/432178185.db2.gz DQTVWKDMCAXQEG-NSHGMRRFSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886800 432178187 /nfs/dbraw/zinc/17/81/87/432178187.db2.gz DQTVWKDMCAXQEG-NSHGMRRFSA-N 3 1 317.521 3.217 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(CC)sc32)C1 ZINC000246902678 432179161 /nfs/dbraw/zinc/17/91/61/432179161.db2.gz FWQRPNHRHLYPLX-KBPBESRZSA-N 2 1 307.507 3.404 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000190753996 432186881 /nfs/dbraw/zinc/18/68/81/432186881.db2.gz LCUNLGPGIRCIPC-QGZVFWFLSA-N 2 1 300.446 3.049 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000247026343 432191671 /nfs/dbraw/zinc/19/16/71/432191671.db2.gz NGBIBHGEBQPOPJ-KXBFYZLASA-N 2 1 302.462 3.393 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000246939180 432183175 /nfs/dbraw/zinc/18/31/75/432183175.db2.gz HMYDLFIGKKUXFM-PKOBYXMFSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000247050467 432195644 /nfs/dbraw/zinc/19/56/44/432195644.db2.gz NGNBICLPVVXQQN-CABCVRRESA-N 2 1 307.457 3.274 20 0 DGADMP c1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247053967 432197205 /nfs/dbraw/zinc/19/72/05/432197205.db2.gz ZKKVNMBLUKXZCN-FXAWDEMLSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247053967 432197209 /nfs/dbraw/zinc/19/72/09/432197209.db2.gz ZKKVNMBLUKXZCN-FXAWDEMLSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247053967 432197210 /nfs/dbraw/zinc/19/72/10/432197210.db2.gz ZKKVNMBLUKXZCN-FXAWDEMLSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247053967 432197215 /nfs/dbraw/zinc/19/72/15/432197215.db2.gz ZKKVNMBLUKXZCN-FXAWDEMLSA-N 2 1 314.473 3.404 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1nc2cc(Cl)ccc2n1C ZINC000269715858 432200484 /nfs/dbraw/zinc/20/04/84/432200484.db2.gz VYPAQOPSVKLROQ-YRGRVCCFSA-N 2 1 320.868 3.045 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)o1 ZINC000130864370 196116924 /nfs/dbraw/zinc/11/69/24/196116924.db2.gz HRBIWSYSJMWILC-INIZCTEOSA-N 2 1 303.406 3.158 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)o1 ZINC000130864370 196116925 /nfs/dbraw/zinc/11/69/25/196116925.db2.gz HRBIWSYSJMWILC-INIZCTEOSA-N 2 1 303.406 3.158 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247152409 432207122 /nfs/dbraw/zinc/20/71/22/432207122.db2.gz XDMXATIRGGEMQR-AHCXZYCDSA-N 2 1 319.493 3.043 20 0 DGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccccc2n1 ZINC000247190983 432208834 /nfs/dbraw/zinc/20/88/34/432208834.db2.gz ULFNVRAEDRSKQK-SUNYJGFJSA-N 2 1 313.445 3.062 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1F ZINC000247175038 432209010 /nfs/dbraw/zinc/20/90/10/432209010.db2.gz SSEBCCJGELLYDY-INMHGKMJSA-N 2 1 308.441 3.303 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000131287010 196157661 /nfs/dbraw/zinc/15/76/61/196157661.db2.gz BVTAFQDNWGQVCI-UHFFFAOYSA-N 2 1 300.450 3.117 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000247236396 432212928 /nfs/dbraw/zinc/21/29/28/432212928.db2.gz YPLNOMGWUHUTRG-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000131400668 196165007 /nfs/dbraw/zinc/16/50/07/196165007.db2.gz RAZHCMKNHOTQOO-HNNXBMFYSA-N 2 1 319.449 3.026 20 0 DGADMP Fc1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269928039 432222467 /nfs/dbraw/zinc/22/24/67/432222467.db2.gz CKPXGJHMTYRZFW-CVEARBPZSA-N 2 1 301.409 3.066 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000247354174 432224288 /nfs/dbraw/zinc/22/42/88/432224288.db2.gz PNUJYRACMAPSQH-OWCLPIDISA-N 2 1 302.462 3.184 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000132225501 196236784 /nfs/dbraw/zinc/23/67/84/196236784.db2.gz KBTQVELYNDKIBM-PWSUYJOCSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132323268 196245768 /nfs/dbraw/zinc/24/57/68/196245768.db2.gz ZIWBFVFIOPKPSE-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132323268 196245770 /nfs/dbraw/zinc/24/57/70/196245770.db2.gz ZIWBFVFIOPKPSE-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCN(C)c2ccccc2)[C@H](C)C1 ZINC000132447864 196256832 /nfs/dbraw/zinc/25/68/32/196256832.db2.gz HMYDLFIGKKUXFM-MJGOQNOKSA-N 2 1 303.494 3.223 20 0 DGADMP C[C@@H](CCc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414287 533679991 /nfs/dbraw/zinc/67/99/91/533679991.db2.gz KKLJFLXXMNMHCF-IRXDYDNUSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H](CCc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414287 533679997 /nfs/dbraw/zinc/67/99/97/533679997.db2.gz KKLJFLXXMNMHCF-IRXDYDNUSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000291214858 222229067 /nfs/dbraw/zinc/22/90/67/222229067.db2.gz RONCBRBZUSGGON-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000291214858 222229072 /nfs/dbraw/zinc/22/90/72/222229072.db2.gz RONCBRBZUSGGON-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000291214856 222229904 /nfs/dbraw/zinc/22/99/04/222229904.db2.gz RONCBRBZUSGGON-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000291214856 222229907 /nfs/dbraw/zinc/22/99/07/222229907.db2.gz RONCBRBZUSGGON-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297545700 227284439 /nfs/dbraw/zinc/28/44/39/227284439.db2.gz ZAAWSUHSJNHBAW-MRXNPFEDSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000302286504 230210915 /nfs/dbraw/zinc/21/09/15/230210915.db2.gz KFMATJNWSIDUKJ-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP Cc1cc(N(CC[NH+](C)C)Cc2cccc(Cl)c2)nc(C)[nH+]1 ZINC000302561102 230299834 /nfs/dbraw/zinc/29/98/34/230299834.db2.gz UERMFZJGKHCOOO-UHFFFAOYSA-N 2 1 318.852 3.315 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[N@@H+](C)[C@H]3C)CC2)C1 ZINC000346312244 264007494 /nfs/dbraw/zinc/00/74/94/264007494.db2.gz HHIVJNFUIXNORM-KCITZHQASA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN(C)[C@H]3C)CC2)C1 ZINC000346312244 264007498 /nfs/dbraw/zinc/00/74/98/264007498.db2.gz HHIVJNFUIXNORM-KCITZHQASA-N 2 1 307.526 3.102 20 0 DGADMP CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462161 264036328 /nfs/dbraw/zinc/03/63/28/264036328.db2.gz OBDPAQYVKWCIHC-BEFAXECRSA-N 2 1 313.420 3.242 20 0 DGADMP C[C@H](C[NH+]1CCS[C@@H](C)[C@@H]1C)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000346524761 264046933 /nfs/dbraw/zinc/04/69/33/264046933.db2.gz GKISPKNZSUATEO-GVRJEKJASA-N 2 1 316.580 3.274 20 0 DGADMP C[C@@H](C[NH+]1CCS[C@H](C)[C@@H]1C)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000346524761 264046934 /nfs/dbraw/zinc/04/69/34/264046934.db2.gz GKISPKNZSUATEO-GVRJEKJASA-N 2 1 316.580 3.274 20 0 DGADMP C[C@@H](C[NH+]1CCS[C@H](C)[C@@H]1C)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000346524761 264046935 /nfs/dbraw/zinc/04/69/35/264046935.db2.gz GKISPKNZSUATEO-GVRJEKJASA-N 2 1 316.580 3.274 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000346532150 264047973 /nfs/dbraw/zinc/04/79/73/264047973.db2.gz SUUZWRRMGKHDNP-AHRSYUTCSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000346532150 264047974 /nfs/dbraw/zinc/04/79/74/264047974.db2.gz SUUZWRRMGKHDNP-AHRSYUTCSA-N 2 1 316.489 3.038 20 0 DGADMP CC[NH+]1CCC(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000346600435 264062663 /nfs/dbraw/zinc/06/26/63/264062663.db2.gz SDOUMRIPUPPTNG-FQEVSTJZSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CCC(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000346600435 264062665 /nfs/dbraw/zinc/06/26/65/264062665.db2.gz SDOUMRIPUPPTNG-FQEVSTJZSA-N 2 1 317.521 3.217 20 0 DGADMP CCOc1c(Cl)cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346685469 264079293 /nfs/dbraw/zinc/07/92/93/264079293.db2.gz SIYBKRIMHJKSAO-UHFFFAOYSA-N 2 1 314.857 3.164 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346684538 264079368 /nfs/dbraw/zinc/07/93/68/264079368.db2.gz QCYSYPLUJSTQST-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCC(C)C ZINC000346682588 264079746 /nfs/dbraw/zinc/07/97/46/264079746.db2.gz ODMBEJUSYOZFIK-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1OCC ZINC000346819347 264102956 /nfs/dbraw/zinc/10/29/56/264102956.db2.gz BETISBORIMAALQ-XIRDDKMYSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@H]21 ZINC000346829897 264105635 /nfs/dbraw/zinc/10/56/35/264105635.db2.gz OJVGKQPQIVBSSK-NILFDRSVSA-N 2 1 319.499 3.431 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346834716 264106116 /nfs/dbraw/zinc/10/61/16/264106116.db2.gz SWPXYACCSIVOKR-UHOSZYNNSA-N 2 1 302.462 3.281 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346838045 264106565 /nfs/dbraw/zinc/10/65/65/264106565.db2.gz PXPOGWHSHMBFJG-YESZJQIVSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@H]12 ZINC000346840322 264107318 /nfs/dbraw/zinc/10/73/18/264107318.db2.gz TYYQJSHKFUCTOQ-NTZNESFSSA-N 2 1 316.779 3.111 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@H]12 ZINC000346840322 264107320 /nfs/dbraw/zinc/10/73/20/264107320.db2.gz TYYQJSHKFUCTOQ-NTZNESFSSA-N 2 1 316.779 3.111 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)s2)cc1 ZINC000346840125 264107579 /nfs/dbraw/zinc/10/75/79/264107579.db2.gz ZLZVGEYGZKZQSV-BHYGNILZSA-N 2 1 313.470 3.288 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)C[C@H]12 ZINC000346848757 264108374 /nfs/dbraw/zinc/10/83/74/264108374.db2.gz QTHBHTNZFRMRNQ-YLQAJVPDSA-N 2 1 300.377 3.255 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@H]21 ZINC000346850021 264108891 /nfs/dbraw/zinc/10/88/91/264108891.db2.gz HPOUHUXWRLEKLE-MRVWCRGKSA-N 2 1 319.499 3.431 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346856983 264110299 /nfs/dbraw/zinc/11/02/99/264110299.db2.gz PYMFPDNEEKYYCT-YTQUADARSA-N 2 1 302.462 3.281 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346994163 264135175 /nfs/dbraw/zinc/13/51/75/264135175.db2.gz BUZQQOUUJGRWTF-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000347003774 264138333 /nfs/dbraw/zinc/13/83/33/264138333.db2.gz MEKNESSTQTUKDI-UXHICEINSA-N 2 1 316.489 3.018 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032897 264143964 /nfs/dbraw/zinc/14/39/64/264143964.db2.gz AKLALLMLVVTQEC-HUUCEWRRSA-N 2 1 321.896 3.499 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032897 264143967 /nfs/dbraw/zinc/14/39/67/264143967.db2.gz AKLALLMLVVTQEC-HUUCEWRRSA-N 2 1 321.896 3.499 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037739 264144491 /nfs/dbraw/zinc/14/44/91/264144491.db2.gz FXNZJPLPTOSGHN-NWDGAFQWSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037739 264144492 /nfs/dbraw/zinc/14/44/92/264144492.db2.gz FXNZJPLPTOSGHN-NWDGAFQWSA-N 2 1 307.488 3.431 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000347049682 264148060 /nfs/dbraw/zinc/14/80/60/264148060.db2.gz IFSWDVVIDJUJOW-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000347049682 264148061 /nfs/dbraw/zinc/14/80/61/264148061.db2.gz IFSWDVVIDJUJOW-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000347049682 264148064 /nfs/dbraw/zinc/14/80/64/264148064.db2.gz IFSWDVVIDJUJOW-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347063653 264149923 /nfs/dbraw/zinc/14/99/23/264149923.db2.gz CIBSNHSBIWRVFU-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347063653 264149926 /nfs/dbraw/zinc/14/99/26/264149926.db2.gz CIBSNHSBIWRVFU-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069251 264151143 /nfs/dbraw/zinc/15/11/43/264151143.db2.gz OSAOYFJAZGZTFV-UKRRQHHQSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069251 264151144 /nfs/dbraw/zinc/15/11/44/264151144.db2.gz OSAOYFJAZGZTFV-UKRRQHHQSA-N 2 1 318.852 3.085 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347066410 264151178 /nfs/dbraw/zinc/15/11/78/264151178.db2.gz ZVYWMTSVRGUFDK-ROUUACIJSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347066410 264151180 /nfs/dbraw/zinc/15/11/80/264151180.db2.gz ZVYWMTSVRGUFDK-ROUUACIJSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347066410 264151183 /nfs/dbraw/zinc/15/11/83/264151183.db2.gz ZVYWMTSVRGUFDK-ROUUACIJSA-N 2 1 324.896 3.050 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347086266 264154273 /nfs/dbraw/zinc/15/42/73/264154273.db2.gz DTUSHINUCKEXFG-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)s2)cc1 ZINC000347123010 264160931 /nfs/dbraw/zinc/16/09/31/264160931.db2.gz WQDYODZEFVYPNE-AWEZNQCLSA-N 2 1 301.459 3.289 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C[NH3+])C3)s2)cc1 ZINC000347123010 264160935 /nfs/dbraw/zinc/16/09/35/264160935.db2.gz WQDYODZEFVYPNE-AWEZNQCLSA-N 2 1 301.459 3.289 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347163406 264167782 /nfs/dbraw/zinc/16/77/82/264167782.db2.gz ITVFUKJPGFOXCO-AWEZNQCLSA-N 2 1 307.869 3.111 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347163406 264167783 /nfs/dbraw/zinc/16/77/83/264167783.db2.gz ITVFUKJPGFOXCO-AWEZNQCLSA-N 2 1 307.869 3.111 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187961 264172141 /nfs/dbraw/zinc/17/21/41/264172141.db2.gz CTNCRJNLDOOLEG-PKOBYXMFSA-N 2 1 317.521 3.204 20 0 DGADMP COC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347246550 264182326 /nfs/dbraw/zinc/18/23/26/264182326.db2.gz WQMYYMVGGFWMTI-VNCLNFNDSA-N 2 1 302.462 3.186 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000347333842 264199556 /nfs/dbraw/zinc/19/95/56/264199556.db2.gz QSQJXGZOMCMVRN-IEBWSBKVSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000347711968 264271295 /nfs/dbraw/zinc/27/12/95/264271295.db2.gz SSOYSHFFXUVLNC-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000347711968 264271298 /nfs/dbraw/zinc/27/12/98/264271298.db2.gz SSOYSHFFXUVLNC-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347870767 264298843 /nfs/dbraw/zinc/29/88/43/264298843.db2.gz RYXGPXKSKINNKI-SFHVURJKSA-N 2 1 316.445 3.366 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348098267 264339148 /nfs/dbraw/zinc/33/91/48/264339148.db2.gz AGMXZGPIOVWICF-XPABHHOTSA-N 2 1 322.415 3.052 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348098267 264339149 /nfs/dbraw/zinc/33/91/49/264339149.db2.gz AGMXZGPIOVWICF-XPABHHOTSA-N 2 1 322.415 3.052 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000348106970 264342229 /nfs/dbraw/zinc/34/22/29/264342229.db2.gz PWMQSMCWXGQHMM-HUUCEWRRSA-N 2 1 323.456 3.392 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000348260227 264377259 /nfs/dbraw/zinc/37/72/59/264377259.db2.gz BQSJUNCZUZFZPR-ZIFCJYIRSA-N 2 1 318.509 3.309 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000348260227 264377261 /nfs/dbraw/zinc/37/72/61/264377261.db2.gz BQSJUNCZUZFZPR-ZIFCJYIRSA-N 2 1 318.509 3.309 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@H](F)C3)CC2)cc1 ZINC000348338931 264393366 /nfs/dbraw/zinc/39/33/66/264393366.db2.gz VYUSZCVKQXXIET-WMZOPIPTSA-N 2 1 308.416 3.313 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191166333 432228736 /nfs/dbraw/zinc/22/87/36/432228736.db2.gz MKBUXYAVYGHNES-ZFWWWQNUSA-N 2 1 304.482 3.081 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352520577 265077470 /nfs/dbraw/zinc/07/74/70/265077470.db2.gz ZWDWJWWXBGMPTA-AWEZNQCLSA-N 2 1 305.447 3.415 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352520577 265077475 /nfs/dbraw/zinc/07/74/75/265077475.db2.gz ZWDWJWWXBGMPTA-AWEZNQCLSA-N 2 1 305.447 3.415 20 0 DGADMP COc1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000352534096 265081247 /nfs/dbraw/zinc/08/12/47/265081247.db2.gz DALVXDKRCVSOPG-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352637070 265111876 /nfs/dbraw/zinc/11/18/76/265111876.db2.gz MXMPAAGNVLXBTH-HQZRNIBBSA-N 2 1 302.462 3.309 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352686437 265129689 /nfs/dbraw/zinc/12/96/89/265129689.db2.gz ZJHWTAPQGNIHSA-FFZOFVMBSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352686437 265129691 /nfs/dbraw/zinc/12/96/91/265129691.db2.gz ZJHWTAPQGNIHSA-FFZOFVMBSA-N 2 1 315.505 3.142 20 0 DGADMP CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352758709 265153873 /nfs/dbraw/zinc/15/38/73/265153873.db2.gz HXFODQBXGARDDZ-CHWSQXEVSA-N 2 1 313.536 3.359 20 0 DGADMP Cc1ccc([C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352765442 265157450 /nfs/dbraw/zinc/15/74/50/265157450.db2.gz KNEHGLADHWFTSH-CQSZACIVSA-N 2 1 303.475 3.406 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000352854643 265200918 /nfs/dbraw/zinc/20/09/18/265200918.db2.gz RBWKMXLJNWLXAE-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352888919 265215503 /nfs/dbraw/zinc/21/55/03/265215503.db2.gz WIABARPVHYNMPR-PKOBYXMFSA-N 2 1 302.462 3.182 20 0 DGADMP C[NH+](C)[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000353155727 265322724 /nfs/dbraw/zinc/32/27/24/265322724.db2.gz PMCCNPHEYNUROE-LJQANCHMSA-N 2 1 317.521 3.171 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000354106231 265665354 /nfs/dbraw/zinc/66/53/54/265665354.db2.gz ICPXMGIUOSPHKE-SFHVURJKSA-N 2 1 315.461 3.101 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000247445226 432229845 /nfs/dbraw/zinc/22/98/45/432229845.db2.gz XXZWERHLHWKENM-HKUYNNGSSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000247445226 432229849 /nfs/dbraw/zinc/22/98/49/432229849.db2.gz XXZWERHLHWKENM-HKUYNNGSSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000247445226 432229853 /nfs/dbraw/zinc/22/98/53/432229853.db2.gz XXZWERHLHWKENM-HKUYNNGSSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355230657 266008977 /nfs/dbraw/zinc/00/89/77/266008977.db2.gz YIAGDSHSZLOKSH-IBGZPJMESA-N 2 1 323.484 3.364 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000355285294 266026622 /nfs/dbraw/zinc/02/66/22/266026622.db2.gz TZWMUBNOGJZCPW-VAMGGRTRSA-N 2 1 316.489 3.241 20 0 DGADMP C[NH+]1CC[C@H](CSCCCCSC[C@H]2CC[N@H+](C)C2)C1 ZINC000355925453 266231754 /nfs/dbraw/zinc/23/17/54/266231754.db2.gz ALCQJXQJEFUHLH-HOTGVXAUSA-N 2 1 316.580 3.136 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1C(C)C ZINC000191189852 432232730 /nfs/dbraw/zinc/23/27/30/432232730.db2.gz VPXOJLHPNKONOS-AWEZNQCLSA-N 2 1 304.482 3.297 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000151374130 432240581 /nfs/dbraw/zinc/24/05/81/432240581.db2.gz BPGNKSLJTWWILZ-DNVCBOLYSA-N 2 1 302.462 3.061 20 0 DGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368440188 271160929 /nfs/dbraw/zinc/16/09/29/271160929.db2.gz AWPFYHNRNGMALB-SFHVURJKSA-N 2 1 312.461 3.076 20 0 DGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368440188 271160931 /nfs/dbraw/zinc/16/09/31/271160931.db2.gz AWPFYHNRNGMALB-SFHVURJKSA-N 2 1 312.461 3.076 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000368530536 271165910 /nfs/dbraw/zinc/16/59/10/271165910.db2.gz NEIBJPLXOGDXIN-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000370012502 271334943 /nfs/dbraw/zinc/33/49/43/271334943.db2.gz UXNZNZNVILCEDG-LMDPOFIKSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000370477331 271362230 /nfs/dbraw/zinc/36/22/30/271362230.db2.gz NSOPBYYIIXUQOS-SFHVURJKSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000370477331 271362233 /nfs/dbraw/zinc/36/22/33/271362233.db2.gz NSOPBYYIIXUQOS-SFHVURJKSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)oc1C ZINC000370581845 271370554 /nfs/dbraw/zinc/37/05/54/271370554.db2.gz BIXZCZYFRQVCMU-KSZLIROESA-N 2 1 317.477 3.282 20 0 DGADMP COCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649292 271379251 /nfs/dbraw/zinc/37/92/51/271379251.db2.gz DCPGVAHWEVZKCU-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP CCc1ccc([C@H](CN[C@H]2CC[N@H+](CC)C[C@H]2C)[NH+](C)C)cc1 ZINC000247946275 432254150 /nfs/dbraw/zinc/25/41/50/432254150.db2.gz HNOQRKSOQYFQRH-UXPWSPDFSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000247946275 432254153 /nfs/dbraw/zinc/25/41/53/432254153.db2.gz HNOQRKSOQYFQRH-UXPWSPDFSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000247946275 432254155 /nfs/dbraw/zinc/25/41/55/432254155.db2.gz HNOQRKSOQYFQRH-UXPWSPDFSA-N 2 1 317.521 3.172 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000247938488 432255016 /nfs/dbraw/zinc/25/50/16/432255016.db2.gz CSZLTQOECSDVLO-FUHIMQAGSA-N 2 1 316.489 3.452 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCS2 ZINC000343464578 274138053 /nfs/dbraw/zinc/13/80/53/274138053.db2.gz OSGAFPGEHRIDRY-XJKCOSOUSA-N 2 1 306.475 3.304 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCS2 ZINC000343464578 274138054 /nfs/dbraw/zinc/13/80/54/274138054.db2.gz OSGAFPGEHRIDRY-XJKCOSOUSA-N 2 1 306.475 3.304 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000268807478 274354506 /nfs/dbraw/zinc/35/45/06/274354506.db2.gz GEOGLTVUPQHVDI-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCC2 ZINC000423489814 274882522 /nfs/dbraw/zinc/88/25/22/274882522.db2.gz GZZRWJGDQYXEBA-NVXWUHKLSA-N 2 1 308.853 3.076 20 0 DGADMP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430980 275370488 /nfs/dbraw/zinc/37/04/88/275370488.db2.gz MZRAGOUJZXMFDT-XUWVNRHRSA-N 2 1 321.262 3.024 20 0 DGADMP CC1(C)CCC(C)(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423196486 276101315 /nfs/dbraw/zinc/10/13/15/276101315.db2.gz ZTQIXGLEUSGYHB-ZACQAIPSSA-N 2 1 308.510 3.340 20 0 DGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000420327280 276134345 /nfs/dbraw/zinc/13/43/45/276134345.db2.gz YJUZHPJHJKNYCK-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CCC(C)CC3)CC2)CC1 ZINC000420979923 276149758 /nfs/dbraw/zinc/14/97/58/276149758.db2.gz LBMHTZVGCXSVHZ-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181986686 276263440 /nfs/dbraw/zinc/26/34/40/276263440.db2.gz VUWPZKNOFOVUPD-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453061612 276325909 /nfs/dbraw/zinc/32/59/09/276325909.db2.gz LBDCNWYDGNICGN-QRVBRYPASA-N 2 1 302.462 3.056 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178779105 277051459 /nfs/dbraw/zinc/05/14/59/277051459.db2.gz IPLGMABXHGOORE-LJQANCHMSA-N 2 1 315.505 3.026 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265812 277083374 /nfs/dbraw/zinc/08/33/74/277083374.db2.gz RJRMJHJNXZDRRB-UGSOOPFHSA-N 2 1 303.450 3.203 20 0 DGADMP C[NH+](C)C1(CNc2cc[nH+]c(N3CCCCC3)n2)CCCCC1 ZINC000544687150 430290713 /nfs/dbraw/zinc/29/07/13/430290713.db2.gz NTIMUOUYSSLRLP-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340515809 278002436 /nfs/dbraw/zinc/00/24/36/278002436.db2.gz FMIHINAWTCFHLR-ZRSRNVLSSA-N 2 1 320.521 3.292 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449082790 278002678 /nfs/dbraw/zinc/00/26/78/278002678.db2.gz PWRGJMQCFBCXFI-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000453163168 278010113 /nfs/dbraw/zinc/01/01/13/278010113.db2.gz CRRMPMWKFKOAAN-NEWSRXKRSA-N 2 1 324.472 3.218 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414669156 278012149 /nfs/dbraw/zinc/01/21/49/278012149.db2.gz BJESMBUCEDFNER-HLIPFELVSA-N 2 1 309.457 3.281 20 0 DGADMP C[C@@H]1[C@@H](NCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340180799 278084983 /nfs/dbraw/zinc/08/49/83/278084983.db2.gz MTGKAEQHHYJMBT-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]CCC[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000340180799 278084984 /nfs/dbraw/zinc/08/49/84/278084984.db2.gz MTGKAEQHHYJMBT-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286196874 279096322 /nfs/dbraw/zinc/09/63/22/279096322.db2.gz XSTLXLBWNJVNQH-HSALFYBXSA-N 2 1 316.489 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442890164 288106554 /nfs/dbraw/zinc/10/65/54/288106554.db2.gz NNMJRFAQNCMIFM-GUDVDZBRSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158084935 288106874 /nfs/dbraw/zinc/10/68/74/288106874.db2.gz MLNXSAKDOQCLIO-YRGVVPAESA-N 2 1 302.462 3.225 20 0 DGADMP CC(C)Cc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423120794 279244248 /nfs/dbraw/zinc/24/42/48/279244248.db2.gz HQHYWATYZMYEJE-FCEWJHQRSA-N 2 1 305.510 3.203 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290051050 279263019 /nfs/dbraw/zinc/26/30/19/279263019.db2.gz FBLFRHYCAQFOHS-IBGZPJMESA-N 2 1 314.473 3.155 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)C[NH+](C)C ZINC000425914289 279352430 /nfs/dbraw/zinc/35/24/30/279352430.db2.gz BOFCFTIZSTWRGZ-KDOFPFPSSA-N 2 1 302.462 3.176 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173802 431242318 /nfs/dbraw/zinc/24/23/18/431242318.db2.gz BPILZEJAGCFWSX-NEPJUHHUSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173802 431242323 /nfs/dbraw/zinc/24/23/23/431242323.db2.gz BPILZEJAGCFWSX-NEPJUHHUSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423031038 279544068 /nfs/dbraw/zinc/54/40/68/279544068.db2.gz CTGWFMVIPQSLPI-XLWVJDPXSA-N 2 1 315.392 3.204 20 0 DGADMP Cc1nn(C)c(C)c1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934669 431367622 /nfs/dbraw/zinc/36/76/22/431367622.db2.gz ABOHFSYAQYNLOO-YJBOKZPZSA-N 2 1 318.509 3.123 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC000115628076 431468187 /nfs/dbraw/zinc/46/81/87/431468187.db2.gz VCCZRPVWOYDCDD-CRAIPNDOSA-N 2 1 308.441 3.052 20 0 DGADMP C[N@@H+](CCOC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110180 431528158 /nfs/dbraw/zinc/52/81/58/431528158.db2.gz XPEAOWSRURRCOV-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](CCOC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110180 431528161 /nfs/dbraw/zinc/52/81/61/431528161.db2.gz XPEAOWSRURRCOV-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](CCOC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110180 431528171 /nfs/dbraw/zinc/52/81/71/431528171.db2.gz XPEAOWSRURRCOV-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396200 431506212 /nfs/dbraw/zinc/50/62/12/431506212.db2.gz NATGIAJSZLNQRC-DOTOQJQBSA-N 2 1 319.493 3.278 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000344521344 280011854 /nfs/dbraw/zinc/01/18/54/280011854.db2.gz GRLFQGLAWMCNEN-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000344521344 280011858 /nfs/dbraw/zinc/01/18/58/280011858.db2.gz GRLFQGLAWMCNEN-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000180516149 280186491 /nfs/dbraw/zinc/18/64/91/280186491.db2.gz FOWFWXNVIHSZSR-CRAIPNDOSA-N 2 1 308.441 3.103 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cnn1C ZINC000153004105 280254542 /nfs/dbraw/zinc/25/45/42/280254542.db2.gz IWLOAXYYCINPPV-AWEZNQCLSA-N 2 1 304.482 3.176 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCCn2ccnc2C)CC1 ZINC000119267068 431668471 /nfs/dbraw/zinc/66/84/71/431668471.db2.gz QRAAPVYOVATCJL-UHFFFAOYSA-N 2 1 320.525 3.416 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000119267068 431668478 /nfs/dbraw/zinc/66/84/78/431668478.db2.gz QRAAPVYOVATCJL-UHFFFAOYSA-N 3 1 320.525 3.416 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000119267068 431668484 /nfs/dbraw/zinc/66/84/84/431668484.db2.gz QRAAPVYOVATCJL-UHFFFAOYSA-N 3 1 320.525 3.416 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccccc2C)C1 ZINC000081578738 431793267 /nfs/dbraw/zinc/79/32/67/431793267.db2.gz PQBQNBYRACZNDN-GOSISDBHSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000081578738 431793275 /nfs/dbraw/zinc/79/32/75/431793275.db2.gz PQBQNBYRACZNDN-GOSISDBHSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000081578738 431793279 /nfs/dbraw/zinc/79/32/79/431793279.db2.gz PQBQNBYRACZNDN-GOSISDBHSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000081568702 431795905 /nfs/dbraw/zinc/79/59/05/431795905.db2.gz LNSTYQNNDTVZMK-INIZCTEOSA-N 2 1 308.441 3.258 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000081568702 431795911 /nfs/dbraw/zinc/79/59/11/431795911.db2.gz LNSTYQNNDTVZMK-INIZCTEOSA-N 2 1 308.441 3.258 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000081568702 431795919 /nfs/dbraw/zinc/79/59/19/431795919.db2.gz LNSTYQNNDTVZMK-INIZCTEOSA-N 2 1 308.441 3.258 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000121439826 431786762 /nfs/dbraw/zinc/78/67/62/431786762.db2.gz MAJIJCPWMBSHAC-OLZOCXBDSA-N 2 1 305.397 3.326 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000122718713 431843079 /nfs/dbraw/zinc/84/30/79/431843079.db2.gz SQUYBYFTQZGPOK-VYDXJSESSA-N 2 1 318.490 3.006 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000122718713 431843082 /nfs/dbraw/zinc/84/30/82/431843082.db2.gz SQUYBYFTQZGPOK-VYDXJSESSA-N 2 1 318.490 3.006 20 0 DGADMP Brc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408220 431846791 /nfs/dbraw/zinc/84/67/91/431846791.db2.gz INCXSSSWKXYLTE-ZDUSSCGKSA-N 2 1 309.251 3.023 20 0 DGADMP CCC[N@H+](Cc1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000037538992 431847371 /nfs/dbraw/zinc/84/73/71/431847371.db2.gz QXHNMIKEROUWAP-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP CCC[N@@H+](Cc1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000037538992 431847372 /nfs/dbraw/zinc/84/73/72/431847372.db2.gz QXHNMIKEROUWAP-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP CCC[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000037539299 431847675 /nfs/dbraw/zinc/84/76/75/431847675.db2.gz UCCVSDPMVCKKAL-UHFFFAOYSA-N 2 1 311.267 3.413 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000037644004 431848311 /nfs/dbraw/zinc/84/83/11/431848311.db2.gz FJYFEAFDNNLSBO-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543573 431870702 /nfs/dbraw/zinc/87/07/02/431870702.db2.gz KRQQTRYPCKBOSC-XJKCOSOUSA-N 2 1 312.404 3.149 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000122397171 431831477 /nfs/dbraw/zinc/83/14/77/431831477.db2.gz FLAYHZXKRORECT-OAHLLOKOSA-N 2 1 302.418 3.379 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000125065976 431912931 /nfs/dbraw/zinc/91/29/31/431912931.db2.gz NPSKDTDDPQNOMG-LZLYRXPVSA-N 2 1 302.462 3.227 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125244433 431918852 /nfs/dbraw/zinc/91/88/52/431918852.db2.gz LHWFVZLEKBNQMU-PKOBYXMFSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044534478 431875249 /nfs/dbraw/zinc/87/52/49/431875249.db2.gz MWXGXSBEXXYAPE-CHWSQXEVSA-N 2 1 311.267 3.442 20 0 DGADMP CCC(CC)[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000124141499 431884142 /nfs/dbraw/zinc/88/41/42/431884142.db2.gz MQANCMINSUVTJJ-SFHVURJKSA-N 2 1 318.509 3.006 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC000124160996 431884348 /nfs/dbraw/zinc/88/43/48/431884348.db2.gz SKVBVXHLDYUREX-ZBFHGGJFSA-N 2 1 306.450 3.086 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC000124160788 431884443 /nfs/dbraw/zinc/88/44/43/431884443.db2.gz SKVBVXHLDYUREX-GOEBONIOSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000124210930 431885966 /nfs/dbraw/zinc/88/59/66/431885966.db2.gz CRJKCJYYIJQLSI-MSOLQXFVSA-N 2 1 308.510 3.437 20 0 DGADMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000124316970 431889738 /nfs/dbraw/zinc/88/97/38/431889738.db2.gz DWYONTUNUSKSOK-FQEVSTJZSA-N 2 1 317.521 3.391 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124353228 431892025 /nfs/dbraw/zinc/89/20/25/431892025.db2.gz RDHUYNXGOUWPIS-CHWSQXEVSA-N 2 1 310.388 3.423 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000124366340 431892230 /nfs/dbraw/zinc/89/22/30/431892230.db2.gz GSIXWQOGNYSROK-LJQANCHMSA-N 2 1 303.494 3.001 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586209 431892903 /nfs/dbraw/zinc/89/29/03/431892903.db2.gz UZGQBBVQPZZYLS-UXHICEINSA-N 2 1 318.505 3.202 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)COc2ccccc2OC)[C@H](C)C1 ZINC000090937586 431898125 /nfs/dbraw/zinc/89/81/25/431898125.db2.gz SVGGCHXGHDRPHW-BRWVUGGUSA-N 2 1 320.477 3.030 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000091336541 431904401 /nfs/dbraw/zinc/90/44/01/431904401.db2.gz XNLMGZQKGAUBNK-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(C)c2)C1 ZINC000091469562 431904567 /nfs/dbraw/zinc/90/45/67/431904567.db2.gz XGXOEEIPMJBBLJ-AWEZNQCLSA-N 2 1 311.267 3.189 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000127453289 431972407 /nfs/dbraw/zinc/97/24/07/431972407.db2.gz YFNHLNFREHFXNI-KRWDZBQOSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000127453289 431972408 /nfs/dbraw/zinc/97/24/08/431972408.db2.gz YFNHLNFREHFXNI-KRWDZBQOSA-N 2 1 304.482 3.042 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126867207 431959726 /nfs/dbraw/zinc/95/97/26/431959726.db2.gz LQPIDJOXBUVMNX-DOTOQJQBSA-N 2 1 310.507 3.221 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126867207 431959728 /nfs/dbraw/zinc/95/97/28/431959728.db2.gz LQPIDJOXBUVMNX-DOTOQJQBSA-N 2 1 310.507 3.221 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2cccn2)cc1 ZINC000127064763 431963803 /nfs/dbraw/zinc/96/38/03/431963803.db2.gz PQXBTBHBFNWDAY-HNNXBMFYSA-N 2 1 309.417 3.118 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127870352 431982845 /nfs/dbraw/zinc/98/28/45/431982845.db2.gz CHIMSHVKNIHEFC-VBHSOAQHSA-N 2 1 303.425 3.168 20 0 DGADMP CC[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)OCCc2ccccc21 ZINC000289799407 281345492 /nfs/dbraw/zinc/34/54/92/281345492.db2.gz NRELYLREOYAMBG-NLWGTHIKSA-N 2 1 314.473 3.081 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248124281 432270001 /nfs/dbraw/zinc/27/00/01/432270001.db2.gz NSRVRAZZCXXRBD-PKOBYXMFSA-N 2 1 302.462 3.044 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC000248148698 432271491 /nfs/dbraw/zinc/27/14/91/432271491.db2.gz QMLJWQURJNAKJQ-BHIYHBOVSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC000248148698 432271494 /nfs/dbraw/zinc/27/14/94/432271494.db2.gz QMLJWQURJNAKJQ-BHIYHBOVSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC000248148698 432271500 /nfs/dbraw/zinc/27/15/00/432271500.db2.gz QMLJWQURJNAKJQ-BHIYHBOVSA-N 2 1 307.526 3.103 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccccc1F ZINC000191521484 432272362 /nfs/dbraw/zinc/27/23/62/432272362.db2.gz INXYOOJMPJIHOI-KRWDZBQOSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000191521484 432272364 /nfs/dbraw/zinc/27/23/64/432272364.db2.gz INXYOOJMPJIHOI-KRWDZBQOSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000191513503 432273416 /nfs/dbraw/zinc/27/34/16/432273416.db2.gz JTQZLOMWXWOXDJ-KRWDZBQOSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000191513503 432273420 /nfs/dbraw/zinc/27/34/20/432273420.db2.gz JTQZLOMWXWOXDJ-KRWDZBQOSA-N 2 1 319.424 3.030 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000248171140 432273811 /nfs/dbraw/zinc/27/38/11/432273811.db2.gz UVARDIUDKZNXRS-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000248171140 432273819 /nfs/dbraw/zinc/27/38/19/432273819.db2.gz UVARDIUDKZNXRS-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248410738 432286783 /nfs/dbraw/zinc/28/67/83/432286783.db2.gz HLMCPPYGOPIORG-IPMKNSEASA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000128645021 431997625 /nfs/dbraw/zinc/99/76/25/431997625.db2.gz NXKJKXLZRBDVAJ-GOSISDBHSA-N 2 1 323.912 3.408 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000248039104 432263948 /nfs/dbraw/zinc/26/39/48/432263948.db2.gz SFMKMETXLSKRCP-CRAIPNDOSA-N 2 1 317.477 3.197 20 0 DGADMP CSCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248067459 432267539 /nfs/dbraw/zinc/26/75/39/432267539.db2.gz MHZNRXHJZPFGAK-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248067459 432267543 /nfs/dbraw/zinc/26/75/43/432267543.db2.gz MHZNRXHJZPFGAK-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248067459 432267545 /nfs/dbraw/zinc/26/75/45/432267545.db2.gz MHZNRXHJZPFGAK-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@H]1c1cccs1 ZINC000248753948 432315972 /nfs/dbraw/zinc/31/59/72/432315972.db2.gz CJIGBALNAYORHC-VYDXJSESSA-N 2 1 306.475 3.413 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@H]1c1cccs1 ZINC000248753948 432315976 /nfs/dbraw/zinc/31/59/76/432315976.db2.gz CJIGBALNAYORHC-VYDXJSESSA-N 2 1 306.475 3.413 20 0 DGADMP C([C@H]1CCC2(CCCCC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248819294 432319397 /nfs/dbraw/zinc/31/93/97/432319397.db2.gz IVXHVEDQBOOEAK-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP CC[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000183759808 432323342 /nfs/dbraw/zinc/32/33/42/432323342.db2.gz SDBXCWJEMGBSON-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000183759808 432323346 /nfs/dbraw/zinc/32/33/46/432323346.db2.gz SDBXCWJEMGBSON-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000183759808 432323348 /nfs/dbraw/zinc/32/33/48/432323348.db2.gz SDBXCWJEMGBSON-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152431338 432331956 /nfs/dbraw/zinc/33/19/56/432331956.db2.gz YNBISHBTBZQIJO-OCCSQVGLSA-N 2 1 305.491 3.157 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cscn1 ZINC000271118747 432332079 /nfs/dbraw/zinc/33/20/79/432332079.db2.gz IZMVPBFXGQGGKJ-AWEZNQCLSA-N 2 1 319.474 3.324 20 0 DGADMP FC(F)OCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249286219 432342832 /nfs/dbraw/zinc/34/28/32/432342832.db2.gz OFZNRJSFANXWQQ-BRWVUGGUSA-N 2 1 324.415 3.116 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000191820507 432306607 /nfs/dbraw/zinc/30/66/07/432306607.db2.gz VGLXGFRHOXYRDP-HNNXBMFYSA-N 2 1 317.477 3.418 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC[C@H](C)CCC=C(C)C)C2)CC1 ZINC000248658895 432311446 /nfs/dbraw/zinc/31/14/46/432311446.db2.gz CASKSCUEHIKEQY-UXHICEINSA-N 2 1 321.553 3.471 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152211494 432313859 /nfs/dbraw/zinc/31/38/59/432313859.db2.gz JZRQMIJHZVTDOI-OUAUKWLOSA-N 2 1 321.412 3.023 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000271330831 432376243 /nfs/dbraw/zinc/37/62/43/432376243.db2.gz AXPBBAMJFRBHKO-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000271330831 432376245 /nfs/dbraw/zinc/37/62/45/432376245.db2.gz AXPBBAMJFRBHKO-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252672614 432385871 /nfs/dbraw/zinc/38/58/71/432385871.db2.gz BLJHXRWQEDGRSQ-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252672614 432385874 /nfs/dbraw/zinc/38/58/74/432385874.db2.gz BLJHXRWQEDGRSQ-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673155 432386538 /nfs/dbraw/zinc/38/65/38/432386538.db2.gz GVZATCUNMIPJKX-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673155 432386540 /nfs/dbraw/zinc/38/65/40/432386540.db2.gz GVZATCUNMIPJKX-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000153256431 432396646 /nfs/dbraw/zinc/39/66/46/432396646.db2.gz BZEKHKHLMFLUPP-QGZVFWFLSA-N 2 1 316.489 3.098 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000192357196 432363782 /nfs/dbraw/zinc/36/37/82/432363782.db2.gz ZRFMAYYYKCBLCS-ICSRJNTNSA-N 2 1 314.473 3.223 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000192357196 432363789 /nfs/dbraw/zinc/36/37/89/432363789.db2.gz ZRFMAYYYKCBLCS-ICSRJNTNSA-N 2 1 314.473 3.223 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000192357190 432364315 /nfs/dbraw/zinc/36/43/15/432364315.db2.gz ZRFMAYYYKCBLCS-AZUAARDMSA-N 2 1 314.473 3.223 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000192357190 432364320 /nfs/dbraw/zinc/36/43/20/432364320.db2.gz ZRFMAYYYKCBLCS-AZUAARDMSA-N 2 1 314.473 3.223 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550421 432429997 /nfs/dbraw/zinc/42/99/97/432429997.db2.gz PLJZUEIYTFNYPW-MTFMMBMASA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550421 432430001 /nfs/dbraw/zinc/43/00/01/432430001.db2.gz PLJZUEIYTFNYPW-MTFMMBMASA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550421 432430005 /nfs/dbraw/zinc/43/00/05/432430005.db2.gz PLJZUEIYTFNYPW-MTFMMBMASA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000261549840 432430019 /nfs/dbraw/zinc/43/00/19/432430019.db2.gz KTUVIHPKELFEJL-CYBMUJFWSA-N 2 1 303.219 3.051 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000261609472 432432658 /nfs/dbraw/zinc/43/26/58/432432658.db2.gz BRSDTLQUJXXLMC-WBVHZDCISA-N 2 1 302.368 3.139 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000261609472 432432661 /nfs/dbraw/zinc/43/26/61/432432661.db2.gz BRSDTLQUJXXLMC-WBVHZDCISA-N 2 1 302.368 3.139 20 0 DGADMP O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261644332 432437638 /nfs/dbraw/zinc/43/76/38/432437638.db2.gz ANOYQJNGVIOJBB-CQSZACIVSA-N 2 1 320.864 3.234 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1F ZINC000153734564 432438133 /nfs/dbraw/zinc/43/81/33/432438133.db2.gz OZQQIPMJUGCPMV-CYBMUJFWSA-N 2 1 317.408 3.225 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc(-c2ccco2)s1)C[NH+]1CCCC1 ZINC000193012681 432439437 /nfs/dbraw/zinc/43/94/37/432439437.db2.gz TUEFMVVYRBBNDV-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000153750070 432439732 /nfs/dbraw/zinc/43/97/32/432439732.db2.gz NMSLRHSUHUXZMN-GXTWGEPZSA-N 2 1 314.520 3.231 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000153750070 432439733 /nfs/dbraw/zinc/43/97/33/432439733.db2.gz NMSLRHSUHUXZMN-GXTWGEPZSA-N 2 1 314.520 3.231 20 0 DGADMP CC(C)c1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261663114 432439690 /nfs/dbraw/zinc/43/96/90/432439690.db2.gz IKRFNYHDPJUKTJ-CVEARBPZSA-N 2 1 315.486 3.441 20 0 DGADMP CC(C)c1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261663114 432439695 /nfs/dbraw/zinc/43/96/95/432439695.db2.gz IKRFNYHDPJUKTJ-CVEARBPZSA-N 2 1 315.486 3.441 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000261709365 432442706 /nfs/dbraw/zinc/44/27/06/432442706.db2.gz MJSYDHRNAJJBNZ-FQEVSTJZSA-N 2 1 323.440 3.110 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000261709365 432442710 /nfs/dbraw/zinc/44/27/10/432442710.db2.gz MJSYDHRNAJJBNZ-FQEVSTJZSA-N 2 1 323.440 3.110 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1ccccc1 ZINC000261732027 432444060 /nfs/dbraw/zinc/44/40/60/432444060.db2.gz LYCXCZVYVZSVDK-UXHICEINSA-N 2 1 317.436 3.409 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000153803870 432445188 /nfs/dbraw/zinc/44/51/88/432445188.db2.gz XQTALJUABJRQCN-BTHPGYMESA-N 2 1 316.489 3.474 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261743380 432447075 /nfs/dbraw/zinc/44/70/75/432447075.db2.gz PKONZJAOGDNJAQ-KRWDZBQOSA-N 2 1 318.852 3.005 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261743380 432447078 /nfs/dbraw/zinc/44/70/78/432447078.db2.gz PKONZJAOGDNJAQ-KRWDZBQOSA-N 2 1 318.852 3.005 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000261797795 432450865 /nfs/dbraw/zinc/45/08/65/432450865.db2.gz GSJXPHCLVSZNPQ-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)s2)cc1 ZINC000261812993 432452116 /nfs/dbraw/zinc/45/21/16/432452116.db2.gz WZDMPAQRLLSLTG-KRWDZBQOSA-N 2 1 301.459 3.289 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)s2)cc1 ZINC000261812993 432452121 /nfs/dbraw/zinc/45/21/21/432452121.db2.gz WZDMPAQRLLSLTG-KRWDZBQOSA-N 2 1 301.459 3.289 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193139152 432454446 /nfs/dbraw/zinc/45/44/46/432454446.db2.gz ATZPLOMSZBXUJY-CHWSQXEVSA-N 2 1 305.447 3.366 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000261833403 432455034 /nfs/dbraw/zinc/45/50/34/432455034.db2.gz YXUYMXQMCDPZGT-INIZCTEOSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000261833403 432455036 /nfs/dbraw/zinc/45/50/36/432455036.db2.gz YXUYMXQMCDPZGT-INIZCTEOSA-N 2 1 305.809 3.166 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000184578260 432408056 /nfs/dbraw/zinc/40/80/56/432408056.db2.gz HGDBVBRMILUEMP-PVAVHDDUSA-N 2 1 302.462 3.187 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)(C)C ZINC000153493539 432413330 /nfs/dbraw/zinc/41/33/30/432413330.db2.gz VHLHDVGAHYAHQG-CVEARBPZSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)(C)C ZINC000153493539 432413335 /nfs/dbraw/zinc/41/33/35/432413335.db2.gz VHLHDVGAHYAHQG-CVEARBPZSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785154 432415202 /nfs/dbraw/zinc/41/52/02/432415202.db2.gz YGPRYKLSWQBLOO-GJZGRUSLSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785154 432415204 /nfs/dbraw/zinc/41/52/04/432415204.db2.gz YGPRYKLSWQBLOO-GJZGRUSLSA-N 2 1 318.490 3.044 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000153500560 432415270 /nfs/dbraw/zinc/41/52/70/432415270.db2.gz OMGFEOZQZMWJAT-OXJNMPFZSA-N 2 1 316.489 3.432 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000153500560 432415271 /nfs/dbraw/zinc/41/52/71/432415271.db2.gz OMGFEOZQZMWJAT-OXJNMPFZSA-N 2 1 316.489 3.432 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271531847 432416245 /nfs/dbraw/zinc/41/62/45/432416245.db2.gz SCVHVCIZTAUOCM-ZIFCJYIRSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271531847 432416249 /nfs/dbraw/zinc/41/62/49/432416249.db2.gz SCVHVCIZTAUOCM-ZIFCJYIRSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccn1C ZINC000153557650 432418865 /nfs/dbraw/zinc/41/88/65/432418865.db2.gz ZPANXOXMKNWMQI-XEWABKELSA-N 2 1 311.473 3.271 20 0 DGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192838079 432421016 /nfs/dbraw/zinc/42/10/16/432421016.db2.gz GVKANJNKRWGKSH-OALUTQOASA-N 2 1 309.542 3.303 20 0 DGADMP Cc1nc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259820 432472597 /nfs/dbraw/zinc/47/25/97/432472597.db2.gz ZWKMNPRFGAFIEN-YOEHRIQHSA-N 2 1 315.486 3.452 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000262086569 432473058 /nfs/dbraw/zinc/47/30/58/432473058.db2.gz UIUGCHVEEJCNOS-HXUWFJFHSA-N 2 1 322.456 3.035 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000262086569 432473063 /nfs/dbraw/zinc/47/30/63/432473063.db2.gz UIUGCHVEEJCNOS-HXUWFJFHSA-N 2 1 322.456 3.035 20 0 DGADMP Cc1[nH]c2ccccc2c1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185179901 432474138 /nfs/dbraw/zinc/47/41/38/432474138.db2.gz ZCUQEMZSRMCTHG-UHFFFAOYSA-N 2 1 308.429 3.270 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)CC[N@H+]1C ZINC000154185576 432479435 /nfs/dbraw/zinc/47/94/35/432479435.db2.gz ZVZNOSUYXWSDAH-WDEREUQCSA-N 2 1 317.296 3.125 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304978 432479891 /nfs/dbraw/zinc/47/98/91/432479891.db2.gz HPTHJYSZVFRKLF-LMMKCTJWSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272352166 432487590 /nfs/dbraw/zinc/48/75/90/432487590.db2.gz DHVWUQYEWTXECA-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272352166 432487592 /nfs/dbraw/zinc/48/75/92/432487592.db2.gz DHVWUQYEWTXECA-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262495030 432488264 /nfs/dbraw/zinc/48/82/64/432488264.db2.gz LGUCJALLJFJCLM-UXIGCNINSA-N 2 1 314.351 3.330 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262495030 432488268 /nfs/dbraw/zinc/48/82/68/432488268.db2.gz LGUCJALLJFJCLM-UXIGCNINSA-N 2 1 314.351 3.330 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000272376071 432490481 /nfs/dbraw/zinc/49/04/81/432490481.db2.gz CTLPOUQJZJPDAK-AXDKOMKPSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272429567 432499714 /nfs/dbraw/zinc/49/97/14/432499714.db2.gz QCVYGXCVJUHNEQ-RSPOEFSDSA-N 2 1 324.472 3.057 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCCCO2)C3)cc1 ZINC000272427002 432499810 /nfs/dbraw/zinc/49/98/10/432499810.db2.gz PJBVYPKAGPQYTL-YSTOQKLRSA-N 2 1 314.473 3.341 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000154517246 432504662 /nfs/dbraw/zinc/50/46/62/432504662.db2.gz CTBZMSZKEDEBSX-LJQANCHMSA-N 2 1 317.521 3.372 20 0 DGADMP COCCCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455694 432505671 /nfs/dbraw/zinc/50/56/71/432505671.db2.gz JWSXWXCRGVYSPO-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CCSc1cccc(C[NH2+]C2CC[NH+](CCCOC)CC2)c1 ZINC000185509936 432507160 /nfs/dbraw/zinc/50/71/60/432507160.db2.gz MAHSUIKTZPHZTL-UHFFFAOYSA-N 2 1 322.518 3.389 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000261907807 432460089 /nfs/dbraw/zinc/46/00/89/432460089.db2.gz PUFGMWWRHITZLF-JQHSSLGASA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000261907807 432460092 /nfs/dbraw/zinc/46/00/92/432460092.db2.gz PUFGMWWRHITZLF-JQHSSLGASA-N 2 1 311.429 3.209 20 0 DGADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261944114 432464123 /nfs/dbraw/zinc/46/41/23/432464123.db2.gz FAZJQEHLCYVAKD-NRFANRHFSA-N 2 1 322.452 3.451 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261944114 432464126 /nfs/dbraw/zinc/46/41/26/432464126.db2.gz FAZJQEHLCYVAKD-NRFANRHFSA-N 2 1 322.452 3.451 20 0 DGADMP OC(C[NH+](C1CC1)C1CCCC1)C[N@@H+](C1CC1)C1CCCC1 ZINC000194502472 432556727 /nfs/dbraw/zinc/55/67/27/432556727.db2.gz RUBQDLOTPJRROQ-UHFFFAOYSA-N 2 1 306.494 3.161 20 0 DGADMP COC1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000273161472 432559157 /nfs/dbraw/zinc/55/91/57/432559157.db2.gz KPPMVWNUXRXQEE-OVZGMEQFSA-N 2 1 316.489 3.444 20 0 DGADMP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000193982575 432514118 /nfs/dbraw/zinc/51/41/18/432514118.db2.gz LIUDBWVKFWSCHO-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527929 432518863 /nfs/dbraw/zinc/51/88/63/432518863.db2.gz AONGSCCHYZVWMI-XLIONFOSSA-N 2 1 324.468 3.435 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000154858640 432525295 /nfs/dbraw/zinc/52/52/95/432525295.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000154858640 432525300 /nfs/dbraw/zinc/52/53/00/432525300.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000154858640 432525301 /nfs/dbraw/zinc/52/53/01/432525301.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000154858640 432525307 /nfs/dbraw/zinc/52/53/07/432525307.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000154858640 432525311 /nfs/dbraw/zinc/52/53/11/432525311.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000154858640 432525314 /nfs/dbraw/zinc/52/53/14/432525314.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000154858640 432525319 /nfs/dbraw/zinc/52/53/19/432525319.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000154858640 432525324 /nfs/dbraw/zinc/52/53/24/432525324.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000154858640 432525327 /nfs/dbraw/zinc/52/53/27/432525327.db2.gz QDFOYBHXTXRNMS-HLIPFELVSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000154860792 432525755 /nfs/dbraw/zinc/52/57/55/432525755.db2.gz FOTYJWNLLDVCJR-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194292107 432538806 /nfs/dbraw/zinc/53/88/06/432538806.db2.gz IEFHESMRVJRCAL-AWEZNQCLSA-N 2 1 309.417 3.008 20 0 DGADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195135865 432607484 /nfs/dbraw/zinc/60/74/84/432607484.db2.gz HLTJHGMNMVHHKX-FUHWJXTLSA-N 2 1 312.461 3.076 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000177291834 432609566 /nfs/dbraw/zinc/60/95/66/432609566.db2.gz IVNPPHSRVUWHTE-CQSZACIVSA-N 2 1 308.491 3.107 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000264074563 432613532 /nfs/dbraw/zinc/61/35/32/432613532.db2.gz MVJKPQAQTVBOTQ-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177386271 432618065 /nfs/dbraw/zinc/61/80/65/432618065.db2.gz WUZIZMOOKRPYPR-LJQANCHMSA-N 2 1 303.494 3.096 20 0 DGADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000186212895 432569506 /nfs/dbraw/zinc/56/95/06/432569506.db2.gz ZUPOHIIZFNKAAC-INIZCTEOSA-N 2 1 302.462 3.187 20 0 DGADMP CC(C)[N@H+](C)CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155750945 432571988 /nfs/dbraw/zinc/57/19/88/432571988.db2.gz MGZFVOZRSBAPCQ-UHFFFAOYSA-N 2 1 323.912 3.234 20 0 DGADMP CC(C)[N@@H+](C)CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155750945 432571995 /nfs/dbraw/zinc/57/19/95/432571995.db2.gz MGZFVOZRSBAPCQ-UHFFFAOYSA-N 2 1 323.912 3.234 20 0 DGADMP C[C@H]1C[C@@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396954 432591277 /nfs/dbraw/zinc/59/12/77/432591277.db2.gz UMQONUUTYKARMM-XJKSGUPXSA-N 2 1 316.445 3.047 20 0 DGADMP C[C@H]1C[C@@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396954 432591279 /nfs/dbraw/zinc/59/12/79/432591279.db2.gz UMQONUUTYKARMM-XJKSGUPXSA-N 2 1 316.445 3.047 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273375543 432592702 /nfs/dbraw/zinc/59/27/02/432592702.db2.gz CMYONWOWPDFFBI-QRVBRYPASA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273375543 432592706 /nfs/dbraw/zinc/59/27/06/432592706.db2.gz CMYONWOWPDFFBI-QRVBRYPASA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273375543 432592711 /nfs/dbraw/zinc/59/27/11/432592711.db2.gz CMYONWOWPDFFBI-QRVBRYPASA-N 2 1 320.452 3.462 20 0 DGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000157650865 432626057 /nfs/dbraw/zinc/62/60/57/432626057.db2.gz YSJTYWKHFRPVAM-UZLBHIALSA-N 2 1 316.489 3.433 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](C)C2CC2)CC1 ZINC000158089179 432636152 /nfs/dbraw/zinc/63/61/52/432636152.db2.gz BJXKMJDARFODGP-MRXNPFEDSA-N 2 1 301.478 3.059 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000186997788 432641442 /nfs/dbraw/zinc/64/14/42/432641442.db2.gz QNQREDPYZGOSHQ-KRWDZBQOSA-N 2 1 322.518 3.398 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000158256498 432641552 /nfs/dbraw/zinc/64/15/52/432641552.db2.gz WSQPIKHMEOIBMR-HZPDHXFCSA-N 2 1 320.477 3.476 20 0 DGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CCC2 ZINC000164677874 282033281 /nfs/dbraw/zinc/03/32/81/282033281.db2.gz HOJOFKJWGRQVTP-AWEZNQCLSA-N 2 1 304.463 3.404 20 0 DGADMP CCn1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000158560981 432649226 /nfs/dbraw/zinc/64/92/26/432649226.db2.gz VBVWZWSILKGTAF-BBWFWOEESA-N 2 1 306.498 3.312 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000158602293 432651735 /nfs/dbraw/zinc/65/17/35/432651735.db2.gz BSEIFNOPBMBTHN-SOLBZPMBSA-N 2 1 318.509 3.145 20 0 DGADMP CCCc1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000187207319 432652702 /nfs/dbraw/zinc/65/27/02/432652702.db2.gz PTFHGCNNZZGPMQ-UHFFFAOYSA-N 2 1 317.521 3.002 20 0 DGADMP Brc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000274334648 432652848 /nfs/dbraw/zinc/65/28/48/432652848.db2.gz GTMMWOCSRAGEDO-HZPDHXFCSA-N 2 1 323.278 3.208 20 0 DGADMP Brc1cccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217642172 432657053 /nfs/dbraw/zinc/65/70/53/432657053.db2.gz SICAMEMQZYAOAI-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000217642172 432657057 /nfs/dbraw/zinc/65/70/57/432657057.db2.gz SICAMEMQZYAOAI-CABCVRRESA-N 2 1 309.251 3.166 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)s1 ZINC000158991387 432666458 /nfs/dbraw/zinc/66/64/58/432666458.db2.gz WPQJEQHPEKJIHC-HUUCEWRRSA-N 2 1 310.507 3.054 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)s1 ZINC000158991523 432666962 /nfs/dbraw/zinc/66/69/62/432666962.db2.gz WPQJEQHPEKJIHC-LSDHHAIUSA-N 2 1 310.507 3.054 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CCCn2cc[nH+]c2C)cc1F ZINC000274640818 432693988 /nfs/dbraw/zinc/69/39/88/432693988.db2.gz JYXROLQIXAFQJO-CQSZACIVSA-N 2 1 319.424 3.198 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[nH+]ccc3N)cc2)C1 ZINC000188060102 432701767 /nfs/dbraw/zinc/70/17/67/432701767.db2.gz DZXWWCGEBZZOCG-AWEZNQCLSA-N 2 1 324.428 3.148 20 0 DGADMP Cc1nccnc1[C@@H](C)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188101140 432703738 /nfs/dbraw/zinc/70/37/38/432703738.db2.gz PGNPZXBVYNTWLT-JKSUJKDBSA-N 2 1 312.461 3.346 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000274759714 432705129 /nfs/dbraw/zinc/70/51/29/432705129.db2.gz DCPJCSIGDIZEPE-IPMKNSEASA-N 2 1 316.489 3.038 20 0 DGADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000274824909 432713090 /nfs/dbraw/zinc/71/30/90/432713090.db2.gz CCGNGWLCHHLGCS-BHIYHBOVSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000274849600 432716219 /nfs/dbraw/zinc/71/62/19/432716219.db2.gz QTPJSSBBOQGYSA-UWJYYQICSA-N 2 1 324.468 3.179 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928822 432720384 /nfs/dbraw/zinc/72/03/84/432720384.db2.gz QLLKXDWTTJUJEN-IEBWSBKVSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937809 432721411 /nfs/dbraw/zinc/72/14/11/432721411.db2.gz SKONAIZZTNIGAP-QMMLZNLJSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937809 432721414 /nfs/dbraw/zinc/72/14/14/432721414.db2.gz SKONAIZZTNIGAP-QMMLZNLJSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274947695 432722676 /nfs/dbraw/zinc/72/26/76/432722676.db2.gz UROJAUMXLSATPV-UHOSZYNNSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177910618 432673337 /nfs/dbraw/zinc/67/33/37/432673337.db2.gz VWEVIXUAGXZENL-BBRMVZONSA-N 2 1 323.868 3.131 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)[C@H](C)C1 ZINC000177940021 432675391 /nfs/dbraw/zinc/67/53/91/432675391.db2.gz ZEUCLKCISIBTNO-KBAYOESNSA-N 2 1 320.477 3.384 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)[C@H](C)C1 ZINC000177940021 432675395 /nfs/dbraw/zinc/67/53/95/432675395.db2.gz ZEUCLKCISIBTNO-KBAYOESNSA-N 2 1 320.477 3.384 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159312705 432677733 /nfs/dbraw/zinc/67/77/33/432677733.db2.gz FAYPPNOXWUWZKS-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159312705 432677736 /nfs/dbraw/zinc/67/77/36/432677736.db2.gz FAYPPNOXWUWZKS-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159312705 432677739 /nfs/dbraw/zinc/67/77/39/432677739.db2.gz FAYPPNOXWUWZKS-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COCCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969622 432680336 /nfs/dbraw/zinc/68/03/36/432680336.db2.gz AWZIULUZXILKFM-QGZVFWFLSA-N 2 1 304.478 3.098 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275770544 432747646 /nfs/dbraw/zinc/74/76/46/432747646.db2.gz UXEBIHLLPOQUKH-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP C[NH2+]CCCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000178656510 432763524 /nfs/dbraw/zinc/76/35/24/432763524.db2.gz KOOFCBRSVMKAPV-UHFFFAOYSA-N 2 1 317.477 3.389 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178696771 432767838 /nfs/dbraw/zinc/76/78/38/432767838.db2.gz MBVRIIXTXHXXNV-GJZGRUSLSA-N 2 1 301.434 3.057 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178696783 432767887 /nfs/dbraw/zinc/76/78/87/432767887.db2.gz MBVRIIXTXHXXNV-CABCVRRESA-N 2 1 301.434 3.057 20 0 DGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170716 432778598 /nfs/dbraw/zinc/77/85/98/432778598.db2.gz HDDYEEVWFVQKSZ-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170716 432778601 /nfs/dbraw/zinc/77/86/01/432778601.db2.gz HDDYEEVWFVQKSZ-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170716 432778605 /nfs/dbraw/zinc/77/86/05/432778605.db2.gz HDDYEEVWFVQKSZ-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170716 432778609 /nfs/dbraw/zinc/77/86/09/432778609.db2.gz HDDYEEVWFVQKSZ-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CCCO2 ZINC000178409314 432732324 /nfs/dbraw/zinc/73/23/24/432732324.db2.gz ODXWGTQBCVJVDF-SFHVURJKSA-N 2 1 318.461 3.375 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)CC[N@H+]1C ZINC000188557373 432732310 /nfs/dbraw/zinc/73/23/10/432732310.db2.gz YPEXGWZVYHPAKN-CZUORRHYSA-N 2 1 319.880 3.447 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2csc(Br)c2)CC[NH2+]1 ZINC000235366386 432743123 /nfs/dbraw/zinc/74/31/23/432743123.db2.gz FZAFHGOEWLBZES-GHMZBOCLSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2csc(Br)c2)CC[NH2+]1 ZINC000235698115 432743771 /nfs/dbraw/zinc/74/37/71/432743771.db2.gz FZAFHGOEWLBZES-QWRGUYRKSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(OC2CCCC2)nc1 ZINC000162632279 432829955 /nfs/dbraw/zinc/82/99/55/432829955.db2.gz JVZVXCFOUMKRMK-RVKKMQEKSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162632279 432829959 /nfs/dbraw/zinc/82/99/59/432829959.db2.gz JVZVXCFOUMKRMK-RVKKMQEKSA-N 2 1 317.477 3.221 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000162909861 432838025 /nfs/dbraw/zinc/83/80/25/432838025.db2.gz HOZPEUKGCUURLC-DOTOQJQBSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000162909861 432838027 /nfs/dbraw/zinc/83/80/27/432838027.db2.gz HOZPEUKGCUURLC-DOTOQJQBSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000162909861 432838028 /nfs/dbraw/zinc/83/80/28/432838028.db2.gz HOZPEUKGCUURLC-DOTOQJQBSA-N 2 1 316.445 3.079 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000161642710 432789933 /nfs/dbraw/zinc/78/99/33/432789933.db2.gz ORHWKRUKBSDQDF-SFHVURJKSA-N 2 1 304.503 3.481 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161637646 432790151 /nfs/dbraw/zinc/79/01/51/432790151.db2.gz FWHMECXXXHDQCO-PWIZWCRZSA-N 2 1 324.472 3.209 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161637646 432790157 /nfs/dbraw/zinc/79/01/57/432790157.db2.gz FWHMECXXXHDQCO-PWIZWCRZSA-N 2 1 324.472 3.209 20 0 DGADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC000178977415 432792087 /nfs/dbraw/zinc/79/20/87/432792087.db2.gz FQHACKCEFCSOMY-UHFFFAOYSA-N 2 1 302.340 3.017 20 0 DGADMP CCn1cc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000266942845 432801094 /nfs/dbraw/zinc/80/10/94/432801094.db2.gz DFXDVBJHGMWLCH-UHFFFAOYSA-N 2 1 314.477 3.151 20 0 DGADMP CCn1cc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000266942845 432801097 /nfs/dbraw/zinc/80/10/97/432801097.db2.gz DFXDVBJHGMWLCH-UHFFFAOYSA-N 2 1 314.477 3.151 20 0 DGADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000162132414 432813102 /nfs/dbraw/zinc/81/31/02/432813102.db2.gz BLPBSGBHPNZKCF-XLIONFOSSA-N 2 1 315.505 3.032 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245854985 432866199 /nfs/dbraw/zinc/86/61/99/432866199.db2.gz GYSOSMCXQQGQPM-VQHPVUNQSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245854985 432866201 /nfs/dbraw/zinc/86/62/01/432866201.db2.gz GYSOSMCXQQGQPM-VQHPVUNQSA-N 2 1 308.510 3.290 20 0 DGADMP Cc1oc2ccccc2c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277648371 432867096 /nfs/dbraw/zinc/86/70/96/432867096.db2.gz DMPRKSANZLTENO-HNNXBMFYSA-N 2 1 316.445 3.332 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245913390 432868687 /nfs/dbraw/zinc/86/86/87/432868687.db2.gz DTGCKOHNOIWIJH-HSALFYBXSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685481 432869957 /nfs/dbraw/zinc/86/99/57/432869957.db2.gz KWLJOOGWSJABOB-WFASDCNBSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685481 432869959 /nfs/dbraw/zinc/86/99/59/432869959.db2.gz KWLJOOGWSJABOB-WFASDCNBSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685481 432869963 /nfs/dbraw/zinc/86/99/63/432869963.db2.gz KWLJOOGWSJABOB-WFASDCNBSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685481 432869964 /nfs/dbraw/zinc/86/99/64/432869964.db2.gz KWLJOOGWSJABOB-WFASDCNBSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685481 432869966 /nfs/dbraw/zinc/86/99/66/432869966.db2.gz KWLJOOGWSJABOB-WFASDCNBSA-N 2 1 313.367 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000246038649 432875366 /nfs/dbraw/zinc/87/53/66/432875366.db2.gz NKXRFGNPZXBXQN-VDNDLQMASA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000246038649 432875368 /nfs/dbraw/zinc/87/53/68/432875368.db2.gz NKXRFGNPZXBXQN-VDNDLQMASA-N 2 1 308.853 3.242 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278073194 432882904 /nfs/dbraw/zinc/88/29/04/432882904.db2.gz ZKPBPRONNOEMFV-QZTJIDSGSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278073194 432882906 /nfs/dbraw/zinc/88/29/06/432882906.db2.gz ZKPBPRONNOEMFV-QZTJIDSGSA-N 2 1 304.478 3.017 20 0 DGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000296207500 432882970 /nfs/dbraw/zinc/88/29/70/432882970.db2.gz ZOBBEUJMJPKDQI-QWQRMKEZSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000296207500 432882972 /nfs/dbraw/zinc/88/29/72/432882972.db2.gz ZOBBEUJMJPKDQI-QWQRMKEZSA-N 2 1 308.416 3.484 20 0 DGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278403500 432893252 /nfs/dbraw/zinc/89/32/52/432893252.db2.gz DSLXSPYCNQFCLA-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278403500 432893256 /nfs/dbraw/zinc/89/32/56/432893256.db2.gz DSLXSPYCNQFCLA-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)[C@@H](C)C1 ZINC000245574831 432846858 /nfs/dbraw/zinc/84/68/58/432846858.db2.gz DNLWEOSPWOTJCI-DZGCQCFKSA-N 2 1 309.523 3.303 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163445972 432852847 /nfs/dbraw/zinc/85/28/47/432852847.db2.gz IMDOQJBUFSSHBG-AAEUAGOBSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163494829 432854219 /nfs/dbraw/zinc/85/42/19/432854219.db2.gz DOVILUZOVSWNKT-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245671894 432854391 /nfs/dbraw/zinc/85/43/91/432854391.db2.gz HMTBJNNHLPJVNR-CZKCSJLSSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1=CCCOC1 ZINC000245670911 432854433 /nfs/dbraw/zinc/85/44/33/432854433.db2.gz CWOWFAWNILQMCF-YRWFTTLQSA-N 2 1 314.473 3.079 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278965297 432922503 /nfs/dbraw/zinc/92/25/03/432922503.db2.gz MWKJKLOPBLXZLJ-CVEARBPZSA-N 2 1 313.445 3.422 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000278990210 432923967 /nfs/dbraw/zinc/92/39/67/432923967.db2.gz PXVBGFOQJWRYKJ-BLLLJJGKSA-N 2 1 305.372 3.465 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278990472 432924377 /nfs/dbraw/zinc/92/43/77/432924377.db2.gz QBFSEWCFBVATHU-BBRMVZONSA-N 2 1 315.392 3.088 20 0 DGADMP CN(Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289224596 432935929 /nfs/dbraw/zinc/93/59/29/432935929.db2.gz CRMQMGXDPFEODG-JWTNVVGKSA-N 2 1 314.473 3.457 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCc1c[nH+]cn1C ZINC000289253337 432938416 /nfs/dbraw/zinc/93/84/16/432938416.db2.gz BQHNFYAJSSIJRG-DYVFJYSZSA-N 2 1 319.836 3.078 20 0 DGADMP Cc1cccnc1OC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000289341040 432946160 /nfs/dbraw/zinc/94/61/60/432946160.db2.gz FWHHJKJJFDIURP-KRWDZBQOSA-N 2 1 317.477 3.108 20 0 DGADMP Cc1cccnc1OC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000289341040 432946161 /nfs/dbraw/zinc/94/61/61/432946161.db2.gz FWHHJKJJFDIURP-KRWDZBQOSA-N 2 1 317.477 3.108 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000278918065 432916677 /nfs/dbraw/zinc/91/66/77/432916677.db2.gz HNDMPIYKBUPZQI-HIFRSBDPSA-N 2 1 315.465 3.056 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000296514590 432917615 /nfs/dbraw/zinc/91/76/15/432917615.db2.gz PQJLBLBXFPTSSQ-MKXGPGLRSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000278947795 432920972 /nfs/dbraw/zinc/92/09/72/432920972.db2.gz LABMSGHNYGAVOX-MJGOQNOKSA-N 2 1 309.457 3.365 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000289978600 432980185 /nfs/dbraw/zinc/98/01/85/432980185.db2.gz ZLKREEUNEWAKFJ-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000290136917 432997625 /nfs/dbraw/zinc/99/76/25/432997625.db2.gz ZUGVEUZDCRRXJP-CRAIPNDOSA-N 2 1 315.461 3.216 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](O)C(C)(C)C ZINC000290136926 432998424 /nfs/dbraw/zinc/99/84/24/432998424.db2.gz ZUGVEUZDCRRXJP-QAPCUYQASA-N 2 1 315.461 3.216 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H](C)C1 ZINC000332337499 432999052 /nfs/dbraw/zinc/99/90/52/432999052.db2.gz WBDWCYVZHPBYCP-RRQGHBQHSA-N 2 1 317.477 3.191 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290198100 433010881 /nfs/dbraw/zinc/01/08/81/433010881.db2.gz SXKMYYLCSDQTHK-MJGOQNOKSA-N 2 1 314.473 3.155 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000290223264 433015776 /nfs/dbraw/zinc/01/57/76/433015776.db2.gz RABPCTPDOXKTGG-IHPCNDPISA-N 2 1 316.489 3.303 20 0 DGADMP CCOc1cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(Cl)c1O ZINC000297777935 433016937 /nfs/dbraw/zinc/01/69/37/433016937.db2.gz VZMNIECZMLTAII-IAQYHMDHSA-N 2 1 324.852 3.017 20 0 DGADMP CCOc1cc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc(Cl)c1O ZINC000297777935 433016943 /nfs/dbraw/zinc/01/69/43/433016943.db2.gz VZMNIECZMLTAII-IAQYHMDHSA-N 2 1 324.852 3.017 20 0 DGADMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccon1 ZINC000349827768 433017444 /nfs/dbraw/zinc/01/74/44/433017444.db2.gz DKIWLVLJDCJEEE-LKCYJCQHSA-N 2 1 311.429 3.236 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250252 433020971 /nfs/dbraw/zinc/02/09/71/433020971.db2.gz UENNFNDQIBBYMU-GGPKGHCWSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290250252 433020974 /nfs/dbraw/zinc/02/09/74/433020974.db2.gz UENNFNDQIBBYMU-GGPKGHCWSA-N 3 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250252 433020978 /nfs/dbraw/zinc/02/09/78/433020978.db2.gz UENNFNDQIBBYMU-GGPKGHCWSA-N 3 1 317.521 3.215 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290287237 433026941 /nfs/dbraw/zinc/02/69/41/433026941.db2.gz XRRXNBPWJQIYJL-SCTDSRPQSA-N 2 1 304.478 3.302 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000280340853 433036864 /nfs/dbraw/zinc/03/68/64/433036864.db2.gz QPNVDMTZUUKSSA-HUUCEWRRSA-N 2 1 318.461 3.047 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000290373689 433041055 /nfs/dbraw/zinc/04/10/55/433041055.db2.gz HPIHPQWAZARJCY-UHFFFAOYSA-N 2 1 317.433 3.072 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000290373689 433041058 /nfs/dbraw/zinc/04/10/58/433041058.db2.gz HPIHPQWAZARJCY-UHFFFAOYSA-N 2 1 317.433 3.072 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290377222 433042430 /nfs/dbraw/zinc/04/24/30/433042430.db2.gz HVJBXBJWURNBBC-UHFFFAOYSA-N 2 1 313.445 3.293 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290377222 433042435 /nfs/dbraw/zinc/04/24/35/433042435.db2.gz HVJBXBJWURNBBC-UHFFFAOYSA-N 2 1 313.445 3.293 20 0 DGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](C)CC1CCOCC1 ZINC000350015626 433052062 /nfs/dbraw/zinc/05/20/62/433052062.db2.gz QULLUXRCTJUCKR-QAPCUYQASA-N 2 1 305.466 3.109 20 0 DGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](C)CC1CCOCC1 ZINC000350015626 433052072 /nfs/dbraw/zinc/05/20/72/433052072.db2.gz QULLUXRCTJUCKR-QAPCUYQASA-N 2 1 305.466 3.109 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000298209884 433059124 /nfs/dbraw/zinc/05/91/24/433059124.db2.gz YXHDDJRPTZZHBG-UXHICEINSA-N 2 1 321.424 3.027 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)CC3 ZINC000156317705 292727883 /nfs/dbraw/zinc/72/78/83/292727883.db2.gz YLCCCJHJTKKMGU-YWZLYKJASA-N 2 1 311.473 3.263 20 0 DGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000446754106 433099389 /nfs/dbraw/zinc/09/93/89/433099389.db2.gz VKQJMLUIQFQPJY-UYAOXDASSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000361276034 433077380 /nfs/dbraw/zinc/07/73/80/433077380.db2.gz VJSPVENCQDKRGE-UHFFFAOYSA-N 2 1 310.445 3.133 20 0 DGADMP COCC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCC1 ZINC000361288713 433079401 /nfs/dbraw/zinc/07/94/01/433079401.db2.gz MSINVZOXPSHFTH-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000361288713 433079411 /nfs/dbraw/zinc/07/94/11/433079411.db2.gz MSINVZOXPSHFTH-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000361288713 433079420 /nfs/dbraw/zinc/07/94/20/433079420.db2.gz MSINVZOXPSHFTH-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000298287235 433082984 /nfs/dbraw/zinc/08/29/84/433082984.db2.gz HCSQYQYHZITIOE-FQEVSTJZSA-N 2 1 321.424 3.373 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000354513885 433123688 /nfs/dbraw/zinc/12/36/88/433123688.db2.gz ZSGKXHSOZOTLPF-LJQANCHMSA-N 2 1 301.478 3.177 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000354513885 433123691 /nfs/dbraw/zinc/12/36/91/433123691.db2.gz ZSGKXHSOZOTLPF-LJQANCHMSA-N 2 1 301.478 3.177 20 0 DGADMP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000425233663 433129030 /nfs/dbraw/zinc/12/90/30/433129030.db2.gz GRUMEEJIAITWIR-CYBMUJFWSA-N 2 1 316.836 3.189 20 0 DGADMP CCc1nc(N[C@H](C[NH3+])c2ccc3ccccc3c2)cc(C)[nH+]1 ZINC000420240595 433135108 /nfs/dbraw/zinc/13/51/08/433135108.db2.gz HGZXWQDWQDVJSH-QGZVFWFLSA-N 2 1 306.413 3.034 20 0 DGADMP Fc1cccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000298431584 433135877 /nfs/dbraw/zinc/13/58/77/433135877.db2.gz NBOVJFUBSVKFNC-KRWDZBQOSA-N 2 1 317.452 3.011 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361368624 433137067 /nfs/dbraw/zinc/13/70/67/433137067.db2.gz RIVHCRDRGXVKFK-WQUXRXDGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361368624 433137076 /nfs/dbraw/zinc/13/70/76/433137076.db2.gz RIVHCRDRGXVKFK-WQUXRXDGSA-N 2 1 316.489 3.180 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000453388647 433143776 /nfs/dbraw/zinc/14/37/76/433143776.db2.gz BVGLDYZMJJYBSY-CYBMUJFWSA-N 2 1 324.440 3.368 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420299094 433147718 /nfs/dbraw/zinc/14/77/18/433147718.db2.gz GGCAPCWWGQWKJJ-ACRUOGEOSA-N 2 1 324.468 3.063 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000453391212 433147865 /nfs/dbraw/zinc/14/78/65/433147865.db2.gz SSGWUCSNMSBUFN-SOAGJPPSSA-N 2 1 316.489 3.180 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000453391211 433148958 /nfs/dbraw/zinc/14/89/58/433148958.db2.gz SSGWUCSNMSBUFN-MHJFOBGBSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)C1 ZINC000361396905 433149200 /nfs/dbraw/zinc/14/92/00/433149200.db2.gz VRKAAAYMLIUZSI-GFEQUFNTSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)C1 ZINC000361396905 433149209 /nfs/dbraw/zinc/14/92/09/433149209.db2.gz VRKAAAYMLIUZSI-GFEQUFNTSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)C1 ZINC000361396905 433149216 /nfs/dbraw/zinc/14/92/16/433149216.db2.gz VRKAAAYMLIUZSI-GFEQUFNTSA-N 2 1 308.510 3.122 20 0 DGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420310587 433153057 /nfs/dbraw/zinc/15/30/57/433153057.db2.gz VFQXKJINRAHISA-DOTOQJQBSA-N 2 1 318.436 3.110 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000420305642 433153230 /nfs/dbraw/zinc/15/32/30/433153230.db2.gz PRQDGEWQRUDMQT-SCTDSRPQSA-N 2 1 302.462 3.147 20 0 DGADMP COc1cc(Cl)ccc1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000361319298 433104076 /nfs/dbraw/zinc/10/40/76/433104076.db2.gz BULMZASSOPKRTA-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000373139187 433105070 /nfs/dbraw/zinc/10/50/70/433105070.db2.gz KARRXQOSZBPKTF-ROUUACIJSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000373139187 433105080 /nfs/dbraw/zinc/10/50/80/433105080.db2.gz KARRXQOSZBPKTF-ROUUACIJSA-N 2 1 305.466 3.110 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000350182524 433109855 /nfs/dbraw/zinc/10/98/55/433109855.db2.gz ZMOFCAFWKSHSKG-MAUKXSAKSA-N 2 1 308.441 3.319 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CCCn1ccnc1C ZINC000290628956 433119610 /nfs/dbraw/zinc/11/96/10/433119610.db2.gz XVGHJJMEJWIATR-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290628956 433119622 /nfs/dbraw/zinc/11/96/22/433119622.db2.gz XVGHJJMEJWIATR-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000420305250 433156659 /nfs/dbraw/zinc/15/66/59/433156659.db2.gz PFVNLGPKSYJSSO-CQSZACIVSA-N 2 1 319.424 3.473 20 0 DGADMP CCc1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420313999 433159957 /nfs/dbraw/zinc/15/99/57/433159957.db2.gz JPLXLNIAQATACG-LSDHHAIUSA-N 2 1 307.507 3.275 20 0 DGADMP CCC[N@@H+](CCOc1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000420316193 433162204 /nfs/dbraw/zinc/16/22/04/433162204.db2.gz LNWOJXANPXFWDN-UHFFFAOYSA-N 2 1 314.832 3.322 20 0 DGADMP CCSCC[C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420312418 433162249 /nfs/dbraw/zinc/16/22/49/433162249.db2.gz WYFDJCZNEWOVTL-GDBMZVCRSA-N 2 1 310.507 3.201 20 0 DGADMP CCc1csc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420313990 433162916 /nfs/dbraw/zinc/16/29/16/433162916.db2.gz JPLXLNIAQATACG-GJZGRUSLSA-N 2 1 307.507 3.275 20 0 DGADMP CC(C)COCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321242 433164953 /nfs/dbraw/zinc/16/49/53/433164953.db2.gz ZTQCPINKDQVDDS-QGZVFWFLSA-N 2 1 322.518 3.365 20 0 DGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420326757 433166099 /nfs/dbraw/zinc/16/60/99/433166099.db2.gz XPGWVJVYBOVPBU-HBMCJLEFSA-N 2 1 324.468 3.063 20 0 DGADMP CCc1noc(C2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)n1 ZINC000453415071 433166658 /nfs/dbraw/zinc/16/66/58/433166658.db2.gz XAKSDFUWRNADNQ-UHFFFAOYSA-N 2 1 320.481 3.122 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)[C@H](c2ccco2)C1 ZINC000425330141 433167423 /nfs/dbraw/zinc/16/74/23/433167423.db2.gz AUNDNCFNBPMNKD-ZFWWWQNUSA-N 2 1 302.422 3.052 20 0 DGADMP CCCCc1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420320370 433167452 /nfs/dbraw/zinc/16/74/52/433167452.db2.gz BLIIVWXGUCILNG-GJZGRUSLSA-N 2 1 307.507 3.307 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410963 433168833 /nfs/dbraw/zinc/16/88/33/433168833.db2.gz HFSMJNUICLSOQE-HNNXBMFYSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420457 433172295 /nfs/dbraw/zinc/17/22/95/433172295.db2.gz ZOXFDYBLNYXTES-AWEZNQCLSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335221 433172427 /nfs/dbraw/zinc/17/24/27/433172427.db2.gz IEBPPVPASSSDIF-DYVFJYSZSA-N 2 1 316.424 3.208 20 0 DGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335221 433172440 /nfs/dbraw/zinc/17/24/40/433172440.db2.gz IEBPPVPASSSDIF-DYVFJYSZSA-N 2 1 316.424 3.208 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC1CC[NH2+]CC1)CCC2 ZINC000420356741 433175571 /nfs/dbraw/zinc/17/55/71/433175571.db2.gz GVTQLRXSIKJLMO-HNNXBMFYSA-N 2 1 307.507 3.404 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346109 433175923 /nfs/dbraw/zinc/17/59/23/433175923.db2.gz WGYXXHJAHUZTJU-OIISXLGYSA-N 2 1 311.429 3.334 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)[C@@H](C)C1 ZINC000453422117 433176183 /nfs/dbraw/zinc/17/61/83/433176183.db2.gz LLHYQTCCYZEJGO-ZJIFWQFVSA-N 2 1 308.491 3.288 20 0 DGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420363092 433180389 /nfs/dbraw/zinc/18/03/89/433180389.db2.gz OXNBSYNAMQVMPF-JKSUJKDBSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363092 433180397 /nfs/dbraw/zinc/18/03/97/433180397.db2.gz OXNBSYNAMQVMPF-JKSUJKDBSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363092 433180403 /nfs/dbraw/zinc/18/04/03/433180403.db2.gz OXNBSYNAMQVMPF-JKSUJKDBSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1[nH+]ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000336706215 433182253 /nfs/dbraw/zinc/18/22/53/433182253.db2.gz HZPNNFGMHHLIQW-INIZCTEOSA-N 2 1 315.848 3.399 20 0 DGADMP Oc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000336729363 433185382 /nfs/dbraw/zinc/18/53/82/433185382.db2.gz XHHYOEDTBCYZRU-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000336729363 433185393 /nfs/dbraw/zinc/18/53/93/433185393.db2.gz XHHYOEDTBCYZRU-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000336729363 433185397 /nfs/dbraw/zinc/18/53/97/433185397.db2.gz XHHYOEDTBCYZRU-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000336729363 433185405 /nfs/dbraw/zinc/18/54/05/433185405.db2.gz XHHYOEDTBCYZRU-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420377058 433185474 /nfs/dbraw/zinc/18/54/74/433185474.db2.gz RNAWUGWAFMEXAN-CYBMUJFWSA-N 2 1 316.367 3.016 20 0 DGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420377060 433189104 /nfs/dbraw/zinc/18/91/04/433189104.db2.gz RNAWUGWAFMEXAN-ZDUSSCGKSA-N 2 1 316.367 3.016 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000336720381 433189252 /nfs/dbraw/zinc/18/92/52/433189252.db2.gz SXRRMGDTAVYBGK-VQTJNVASSA-N 2 1 316.489 3.447 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420386510 433194066 /nfs/dbraw/zinc/19/40/66/433194066.db2.gz UVTGXIYOTBWICZ-SJCJKPOMSA-N 2 1 302.462 3.231 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000425363808 433201443 /nfs/dbraw/zinc/20/14/43/433201443.db2.gz WTFKUSOHKOODSX-RCCFBDPRSA-N 2 1 322.518 3.180 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000425363808 433201455 /nfs/dbraw/zinc/20/14/55/433201455.db2.gz WTFKUSOHKOODSX-RCCFBDPRSA-N 2 1 322.518 3.180 20 0 DGADMP COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000453598231 433223456 /nfs/dbraw/zinc/22/34/56/433223456.db2.gz OHILSPMZMQAXNW-CYBMUJFWSA-N 2 1 317.408 3.016 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000453594956 433224217 /nfs/dbraw/zinc/22/42/17/433224217.db2.gz IUOJVTYEHKNWTR-UHFFFAOYSA-N 2 1 307.438 3.399 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575783 433226538 /nfs/dbraw/zinc/22/65/38/433226538.db2.gz HYGXOJITGCPIJZ-GOSISDBHSA-N 2 1 300.446 3.356 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575783 433226545 /nfs/dbraw/zinc/22/65/45/433226545.db2.gz HYGXOJITGCPIJZ-GOSISDBHSA-N 2 1 300.446 3.356 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575783 433226555 /nfs/dbraw/zinc/22/65/55/433226555.db2.gz HYGXOJITGCPIJZ-GOSISDBHSA-N 2 1 300.446 3.356 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575783 433226564 /nfs/dbraw/zinc/22/65/64/433226564.db2.gz HYGXOJITGCPIJZ-GOSISDBHSA-N 2 1 300.446 3.356 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCOCC1 ZINC000374608142 433233989 /nfs/dbraw/zinc/23/39/89/433233989.db2.gz ZWJCLTURMYQTBS-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCOCC1 ZINC000374608142 433234000 /nfs/dbraw/zinc/23/40/00/433234000.db2.gz ZWJCLTURMYQTBS-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606100 433235822 /nfs/dbraw/zinc/23/58/22/433235822.db2.gz UKKQAOGDYNTCCU-OALUTQOASA-N 2 1 316.489 3.302 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606100 433235829 /nfs/dbraw/zinc/23/58/29/433235829.db2.gz UKKQAOGDYNTCCU-OALUTQOASA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000425433637 433241942 /nfs/dbraw/zinc/24/19/42/433241942.db2.gz NWPCAGJVJWXFCW-ACZWYYKOSA-N 2 1 316.489 3.158 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454977 433249857 /nfs/dbraw/zinc/24/98/57/433249857.db2.gz FONIYKOWHCCOFQ-PMACEKPBSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454977 433249864 /nfs/dbraw/zinc/24/98/64/433249864.db2.gz FONIYKOWHCCOFQ-PMACEKPBSA-N 2 1 314.473 3.009 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1O ZINC000291500839 433251787 /nfs/dbraw/zinc/25/17/87/433251787.db2.gz HMCYRXIHUMTMCK-LSDHHAIUSA-N 2 1 308.466 3.040 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1O ZINC000291500839 433251797 /nfs/dbraw/zinc/25/17/97/433251797.db2.gz HMCYRXIHUMTMCK-LSDHHAIUSA-N 2 1 308.466 3.040 20 0 DGADMP COCCSc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000341752868 433253443 /nfs/dbraw/zinc/25/34/43/433253443.db2.gz YZWNLBGWQGVQNC-AWEZNQCLSA-N 2 1 319.474 3.281 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281099823 433263523 /nfs/dbraw/zinc/26/35/23/433263523.db2.gz BITNEEZBDQBGSO-YVEFUNNKSA-N 2 1 302.397 3.103 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000341869771 433324623 /nfs/dbraw/zinc/32/46/23/433324623.db2.gz ABGPRKOCHXTISF-OWSLCNJRSA-N 2 1 320.864 3.386 20 0 DGADMP Cc1csc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895255 433300427 /nfs/dbraw/zinc/30/04/27/433300427.db2.gz MRQJJDNDJMMCSW-RDJZCZTQSA-N 2 1 315.486 3.452 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000350836564 433300701 /nfs/dbraw/zinc/30/07/01/433300701.db2.gz WPDAGOGNCHQHRT-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000350836564 433300708 /nfs/dbraw/zinc/30/07/08/433300708.db2.gz WPDAGOGNCHQHRT-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1CCC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000341837935 433305884 /nfs/dbraw/zinc/30/58/84/433305884.db2.gz XWHUKNFUAKNHOA-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960820 433348674 /nfs/dbraw/zinc/34/86/74/433348674.db2.gz HZMGRKKUPGXAJX-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960820 433348679 /nfs/dbraw/zinc/34/86/79/433348679.db2.gz HZMGRKKUPGXAJX-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960820 433348687 /nfs/dbraw/zinc/34/86/87/433348687.db2.gz HZMGRKKUPGXAJX-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000420933502 433332136 /nfs/dbraw/zinc/33/21/36/433332136.db2.gz GBJXCLGUSWPCEF-FXAWDEMLSA-N 2 1 316.489 3.123 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361669787 433332928 /nfs/dbraw/zinc/33/29/28/433332928.db2.gz FAYPPNOXWUWZKS-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361669787 433332934 /nfs/dbraw/zinc/33/29/34/433332934.db2.gz FAYPPNOXWUWZKS-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361669787 433332942 /nfs/dbraw/zinc/33/29/42/433332942.db2.gz FAYPPNOXWUWZKS-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000341885465 433333443 /nfs/dbraw/zinc/33/34/43/433333443.db2.gz AOTBKQJCGVVANA-BBWFWOEESA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000341885465 433333453 /nfs/dbraw/zinc/33/34/53/433333453.db2.gz AOTBKQJCGVVANA-BBWFWOEESA-N 2 1 304.478 3.432 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339073895 433339546 /nfs/dbraw/zinc/33/95/46/433339546.db2.gz GMYSAFYSOMNURP-YRPNKDGESA-N 2 1 314.473 3.432 20 0 DGADMP CCc1nocc1C[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000339191329 433429514 /nfs/dbraw/zinc/42/95/14/433429514.db2.gz ODJOXFGYSYETBF-UHFFFAOYSA-N 2 1 301.434 3.369 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@H]1C ZINC000414077008 433380746 /nfs/dbraw/zinc/38/07/46/433380746.db2.gz YQIQJQDUUBKLCA-MNEFBYGVSA-N 2 1 302.462 3.043 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414076016 433380864 /nfs/dbraw/zinc/38/08/64/433380864.db2.gz PSNURMVNGVLUDT-IRXDYDNUSA-N 2 1 319.493 3.265 20 0 DGADMP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000351141968 433387252 /nfs/dbraw/zinc/38/72/52/433387252.db2.gz IAFSVBIQVRXADP-BLLLJJGKSA-N 2 1 307.825 3.211 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000351141970 433387909 /nfs/dbraw/zinc/38/79/09/433387909.db2.gz IAFSVBIQVRXADP-LRDDRELGSA-N 2 1 307.825 3.211 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)[C@H](C)C1 ZINC000361816334 433402722 /nfs/dbraw/zinc/40/27/22/433402722.db2.gz XVZNMEBSTNUMRG-ZIAGYGMSSA-N 2 1 310.404 3.056 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1CC1(C)C ZINC000414115964 433405340 /nfs/dbraw/zinc/40/53/40/433405340.db2.gz PZRDFKWDKHVWRX-SJORKVTESA-N 2 1 316.493 3.477 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CC1(C)C ZINC000414113175 433405746 /nfs/dbraw/zinc/40/57/46/433405746.db2.gz RRBVGLFPGLUNSH-QYZOEREBSA-N 2 1 316.489 3.168 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000414126437 433414145 /nfs/dbraw/zinc/41/41/45/433414145.db2.gz FEYTYOWHEBDYJC-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414173425 433437153 /nfs/dbraw/zinc/43/71/53/433437153.db2.gz GGSOAYUFLYHZDT-KGLIPLIRSA-N 2 1 307.507 3.404 20 0 DGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414171502 433437607 /nfs/dbraw/zinc/43/76/07/433437607.db2.gz CYGMYKSNIKSXOA-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887835 433438154 /nfs/dbraw/zinc/43/81/54/433438154.db2.gz GDRXPRZPCKQQQA-SFTDATJTSA-N 2 1 324.468 3.364 20 0 DGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887835 433438163 /nfs/dbraw/zinc/43/81/63/433438163.db2.gz GDRXPRZPCKQQQA-SFTDATJTSA-N 2 1 324.468 3.364 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414174974 433441844 /nfs/dbraw/zinc/44/18/44/433441844.db2.gz HWDYCXPKKHVCPH-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000414193472 433454532 /nfs/dbraw/zinc/45/45/32/433454532.db2.gz UAGZAJQUYYBFQS-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000342081518 433457716 /nfs/dbraw/zinc/45/77/16/433457716.db2.gz HAPQUEWFVFFCJD-YSIASYRMSA-N 2 1 324.472 3.048 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342089878 433462448 /nfs/dbraw/zinc/46/24/48/433462448.db2.gz BQEZLAKZKMCGFJ-ULQDDVLXSA-N 2 1 311.429 3.209 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@H]21 ZINC000342091490 433460923 /nfs/dbraw/zinc/46/09/23/433460923.db2.gz USLNAQULJILWPQ-KBRIMQKVSA-N 2 1 315.392 3.040 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCOC)c1 ZINC000282031837 433470969 /nfs/dbraw/zinc/47/09/69/433470969.db2.gz FNLNPLKMLYZPGS-RBUKOAKNSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000361967510 433473234 /nfs/dbraw/zinc/47/32/34/433473234.db2.gz USSMRTNKLRLMOR-DTDBQYNISA-N 2 1 304.503 3.335 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128623 433480567 /nfs/dbraw/zinc/48/05/67/433480567.db2.gz VOHHNQNKMZFFGB-CABCVRRESA-N 2 1 318.452 3.291 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128623 433480578 /nfs/dbraw/zinc/48/05/78/433480578.db2.gz VOHHNQNKMZFFGB-CABCVRRESA-N 2 1 318.452 3.291 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(C(F)(F)F)cn1)CC[NH2+]CC2 ZINC000424300568 290363707 /nfs/dbraw/zinc/36/37/07/290363707.db2.gz WTWQFXQYUAUFSL-LBPRGKRZSA-N 2 1 313.367 3.064 20 0 DGADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000339267875 433483469 /nfs/dbraw/zinc/48/34/69/433483469.db2.gz LVQKMGTVAFQEPE-OAHLLOKOSA-N 2 1 322.880 3.239 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1C ZINC000282062696 433484545 /nfs/dbraw/zinc/48/45/45/433484545.db2.gz GTMBAJNJTHOZEV-MRXNPFEDSA-N 2 1 312.461 3.175 20 0 DGADMP COc1ccc2oc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000362074767 433512634 /nfs/dbraw/zinc/51/26/34/433512634.db2.gz BGJBSAHBEZTLOO-CABCVRRESA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000362074767 433512646 /nfs/dbraw/zinc/51/26/46/433512646.db2.gz BGJBSAHBEZTLOO-CABCVRRESA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000362074767 433512655 /nfs/dbraw/zinc/51/26/55/433512655.db2.gz BGJBSAHBEZTLOO-CABCVRRESA-N 2 1 300.402 3.158 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375645420 433516962 /nfs/dbraw/zinc/51/69/62/433516962.db2.gz SAZDBCPPGDCOAL-UXHICEINSA-N 2 1 321.553 3.471 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000421377938 433522861 /nfs/dbraw/zinc/52/28/61/433522861.db2.gz SKRJIHXRIWCFBR-MJGOQNOKSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000421377938 433522869 /nfs/dbraw/zinc/52/28/69/433522869.db2.gz SKRJIHXRIWCFBR-MJGOQNOKSA-N 2 1 316.489 3.324 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477533 433523830 /nfs/dbraw/zinc/52/38/30/433523830.db2.gz NLCKMWDPAOSOMU-RXVVDRJESA-N 2 1 324.468 3.432 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477533 433523840 /nfs/dbraw/zinc/52/38/40/433523840.db2.gz NLCKMWDPAOSOMU-RXVVDRJESA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477533 433523847 /nfs/dbraw/zinc/52/38/47/433523847.db2.gz NLCKMWDPAOSOMU-RXVVDRJESA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477533 433523858 /nfs/dbraw/zinc/52/38/58/433523858.db2.gz NLCKMWDPAOSOMU-RXVVDRJESA-N 2 1 324.468 3.432 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@@H]12 ZINC000351490586 433528072 /nfs/dbraw/zinc/52/80/72/433528072.db2.gz IJWZCLWJUWDBFH-VCTAVGKDSA-N 2 1 315.244 3.041 20 0 DGADMP Cc1nc2ccccn2c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355203913 433529955 /nfs/dbraw/zinc/52/99/55/433529955.db2.gz FUNXPUCOAUWNKX-WMZOPIPTSA-N 2 1 324.472 3.091 20 0 DGADMP Cc1cc(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000339373416 433539978 /nfs/dbraw/zinc/53/99/78/433539978.db2.gz DQJMUWANNMNXPR-HNNXBMFYSA-N 2 1 310.869 3.239 20 0 DGADMP C[N@H+](C[C@@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526450 433549960 /nfs/dbraw/zinc/54/99/60/433549960.db2.gz WXEPUJMKGRXYLM-SFTDATJTSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526450 433549968 /nfs/dbraw/zinc/54/99/68/433549968.db2.gz WXEPUJMKGRXYLM-SFTDATJTSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526450 433549979 /nfs/dbraw/zinc/54/99/79/433549979.db2.gz WXEPUJMKGRXYLM-SFTDATJTSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526450 433549987 /nfs/dbraw/zinc/54/99/87/433549987.db2.gz WXEPUJMKGRXYLM-SFTDATJTSA-N 2 1 324.468 3.015 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414333787 433552133 /nfs/dbraw/zinc/55/21/33/433552133.db2.gz BABJWHJLTAGGAB-CPUCHLNUSA-N 2 1 317.452 3.321 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414333787 433552136 /nfs/dbraw/zinc/55/21/36/433552136.db2.gz BABJWHJLTAGGAB-CPUCHLNUSA-N 2 1 317.452 3.321 20 0 DGADMP CN(Cc1nc2ccc(F)cc2o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758944 433557423 /nfs/dbraw/zinc/55/74/23/433557423.db2.gz BGMAKAALPDHNPC-PBWFPOADSA-N 2 1 303.381 3.024 20 0 DGADMP Cc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000414361185 433569176 /nfs/dbraw/zinc/56/91/76/433569176.db2.gz BTDSAGOPZZZKPB-IEBWSBKVSA-N 2 1 324.472 3.175 20 0 DGADMP C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351566369 433579133 /nfs/dbraw/zinc/57/91/33/433579133.db2.gz CLOZOPZUPYGWFZ-CQSZACIVSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351566369 433579147 /nfs/dbraw/zinc/57/91/47/433579147.db2.gz CLOZOPZUPYGWFZ-CQSZACIVSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351566369 433579157 /nfs/dbraw/zinc/57/91/57/433579157.db2.gz CLOZOPZUPYGWFZ-CQSZACIVSA-N 2 1 311.267 3.223 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccs1 ZINC000351573581 433589232 /nfs/dbraw/zinc/58/92/32/433589232.db2.gz LBDOOWOHNFJHTO-DOTOQJQBSA-N 2 1 310.507 3.270 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccs1 ZINC000351573581 433589242 /nfs/dbraw/zinc/58/92/42/433589242.db2.gz LBDOOWOHNFJHTO-DOTOQJQBSA-N 2 1 310.507 3.270 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163807514 292872092 /nfs/dbraw/zinc/87/20/92/292872092.db2.gz MOJBQPXJJWNFIU-FXAWDEMLSA-N 2 1 318.505 3.080 20 0 DGADMP CC(C)C[N@@H+]1CCO[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301534785 433598359 /nfs/dbraw/zinc/59/83/59/433598359.db2.gz QMGUBJKMLOHYNB-CYBMUJFWSA-N 2 1 305.447 3.065 20 0 DGADMP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301534785 433598366 /nfs/dbraw/zinc/59/83/66/433598366.db2.gz QMGUBJKMLOHYNB-CYBMUJFWSA-N 2 1 305.447 3.065 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000292933474 433604628 /nfs/dbraw/zinc/60/46/28/433604628.db2.gz HEXYLEMVJBMSAA-KFKAGJAMSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000292933474 433604636 /nfs/dbraw/zinc/60/46/36/433604636.db2.gz HEXYLEMVJBMSAA-KFKAGJAMSA-N 2 1 302.462 3.054 20 0 DGADMP CCc1ncc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441857 433617546 /nfs/dbraw/zinc/61/75/46/433617546.db2.gz ZPGVCCOYXMBEBN-QFBILLFUSA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414441857 433617556 /nfs/dbraw/zinc/61/75/56/433617556.db2.gz ZPGVCCOYXMBEBN-QFBILLFUSA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441857 433617569 /nfs/dbraw/zinc/61/75/69/433617569.db2.gz ZPGVCCOYXMBEBN-QFBILLFUSA-N 2 1 324.472 3.039 20 0 DGADMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000339501454 433621895 /nfs/dbraw/zinc/62/18/95/433621895.db2.gz XQFMTJOXRBEZTP-UHFFFAOYSA-N 2 1 316.493 3.034 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(-c3ccco3)s2)CC1 ZINC000376096435 433663690 /nfs/dbraw/zinc/66/36/90/433663690.db2.gz OAQDZAAHXZAUFL-UHFFFAOYSA-N 2 1 317.458 3.463 20 0 DGADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000351712211 433678929 /nfs/dbraw/zinc/67/89/29/433678929.db2.gz NSWWTMOZQIKZNL-INIZCTEOSA-N 2 1 322.452 3.143 20 0 DGADMP CN(C[C@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712211 433678940 /nfs/dbraw/zinc/67/89/40/433678940.db2.gz NSWWTMOZQIKZNL-INIZCTEOSA-N 2 1 322.452 3.143 20 0 DGADMP CN(C[C@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712211 433678952 /nfs/dbraw/zinc/67/89/52/433678952.db2.gz NSWWTMOZQIKZNL-INIZCTEOSA-N 2 1 322.452 3.143 20 0 DGADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000351712212 433679709 /nfs/dbraw/zinc/67/97/09/433679709.db2.gz NSWWTMOZQIKZNL-MRXNPFEDSA-N 2 1 322.452 3.143 20 0 DGADMP CN(C[C@@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712212 433679713 /nfs/dbraw/zinc/67/97/13/433679713.db2.gz NSWWTMOZQIKZNL-MRXNPFEDSA-N 2 1 322.452 3.143 20 0 DGADMP CN(C[C@@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712212 433679721 /nfs/dbraw/zinc/67/97/21/433679721.db2.gz NSWWTMOZQIKZNL-MRXNPFEDSA-N 2 1 322.452 3.143 20 0 DGADMP Cc1cc(NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000342429532 433686942 /nfs/dbraw/zinc/68/69/42/433686942.db2.gz ZDLSFQPCQOSNNX-LJQANCHMSA-N 2 1 324.472 3.010 20 0 DGADMP Cc1cc(NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000342429532 433686951 /nfs/dbraw/zinc/68/69/51/433686951.db2.gz ZDLSFQPCQOSNNX-LJQANCHMSA-N 2 1 324.472 3.010 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000362328756 433649166 /nfs/dbraw/zinc/64/91/66/433649166.db2.gz VQZYBCHZFCEQRW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000362328756 433649170 /nfs/dbraw/zinc/64/91/70/433649170.db2.gz VQZYBCHZFCEQRW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000362328756 433649198 /nfs/dbraw/zinc/64/91/98/433649198.db2.gz VQZYBCHZFCEQRW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000367048844 293016054 /nfs/dbraw/zinc/01/60/54/293016054.db2.gz ZOJHXZZVUAHHEG-UHFFFAOYSA-N 2 1 316.493 3.082 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367085290 293023581 /nfs/dbraw/zinc/02/35/81/293023581.db2.gz FFZTZERKZAGCCC-ROUUACIJSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000367229384 293040791 /nfs/dbraw/zinc/04/07/91/293040791.db2.gz DVHORZPLRBTQMM-QZTJIDSGSA-N 2 1 324.472 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367322502 293054401 /nfs/dbraw/zinc/05/44/01/293054401.db2.gz SHZURMHSSYXQBE-POGZOPGASA-N 2 1 302.462 3.225 20 0 DGADMP CCOC1CC(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000367545275 293086586 /nfs/dbraw/zinc/08/65/86/293086586.db2.gz UOMDGAPHSORGNC-SMVLHYPJSA-N 2 1 308.510 3.388 20 0 DGADMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)C1 ZINC000368156714 293097536 /nfs/dbraw/zinc/09/75/36/293097536.db2.gz ALSBVZFJOADGQX-QGZVFWFLSA-N 2 1 301.821 3.420 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)C1 ZINC000368156714 293097541 /nfs/dbraw/zinc/09/75/41/293097541.db2.gz ALSBVZFJOADGQX-QGZVFWFLSA-N 2 1 301.821 3.420 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000368240252 293109283 /nfs/dbraw/zinc/10/92/83/293109283.db2.gz INTDAVDDRCBICU-KANFNMMFSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000368240252 293109287 /nfs/dbraw/zinc/10/92/87/293109287.db2.gz INTDAVDDRCBICU-KANFNMMFSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000368240252 293109289 /nfs/dbraw/zinc/10/92/89/293109289.db2.gz INTDAVDDRCBICU-KANFNMMFSA-N 2 1 319.493 3.233 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000368365954 293119677 /nfs/dbraw/zinc/11/96/77/293119677.db2.gz XCWZJAOLEZOKSG-CXAGYDPISA-N 2 1 308.491 3.213 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000370662816 293182508 /nfs/dbraw/zinc/18/25/08/293182508.db2.gz OQKOCYSGMHHCIN-FUHIMQAGSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000370662816 293182509 /nfs/dbraw/zinc/18/25/09/293182509.db2.gz OQKOCYSGMHHCIN-FUHIMQAGSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@@H+](C[C@@H]1CCSC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000373349808 293264443 /nfs/dbraw/zinc/26/44/43/293264443.db2.gz JOONEVYFZUZRCI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@@H]1CCSC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373349808 293264444 /nfs/dbraw/zinc/26/44/44/293264444.db2.gz JOONEVYFZUZRCI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@@H]1CCSC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373349808 293264447 /nfs/dbraw/zinc/26/44/47/293264447.db2.gz JOONEVYFZUZRCI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373977599 293338369 /nfs/dbraw/zinc/33/83/69/293338369.db2.gz OCLZTIHOVBZSII-NXWXRZEISA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000283396342 433714267 /nfs/dbraw/zinc/71/42/67/433714267.db2.gz UVUMPZRMLVZHLC-LJQANCHMSA-N 2 1 317.521 3.138 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1 ZINC000356893197 433751438 /nfs/dbraw/zinc/75/14/38/433751438.db2.gz INGGCWKGANDQBL-QFBILLFUSA-N 2 1 304.478 3.432 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293490136 433755212 /nfs/dbraw/zinc/75/52/12/433755212.db2.gz GNARDGWSPDGMON-HXUWFJFHSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000414636147 433761863 /nfs/dbraw/zinc/76/18/63/433761863.db2.gz AGGHQAWMMUDYTO-AWEZNQCLSA-N 2 1 322.412 3.388 20 0 DGADMP C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000414636147 433761872 /nfs/dbraw/zinc/76/18/72/433761872.db2.gz AGGHQAWMMUDYTO-AWEZNQCLSA-N 2 1 322.412 3.388 20 0 DGADMP CCSc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000339677394 433722603 /nfs/dbraw/zinc/72/26/03/433722603.db2.gz IIFFREDDBFYQFK-OAHLLOKOSA-N 2 1 322.518 3.296 20 0 DGADMP CCSc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000339677392 433723802 /nfs/dbraw/zinc/72/38/02/433723802.db2.gz IIFFREDDBFYQFK-HNNXBMFYSA-N 2 1 322.518 3.296 20 0 DGADMP CCOc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000293535698 433773931 /nfs/dbraw/zinc/77/39/31/433773931.db2.gz CHUOLTXBPWICCM-GOSISDBHSA-N 2 1 306.425 3.142 20 0 DGADMP Cc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)n1-c1ccccc1 ZINC000293572187 433785937 /nfs/dbraw/zinc/78/59/37/433785937.db2.gz HBQXAXCJCJUZIQ-FQEVSTJZSA-N 2 1 324.472 3.098 20 0 DGADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000343195304 433786994 /nfs/dbraw/zinc/78/69/94/433786994.db2.gz OVARYICDNQAGIZ-NVXWUHKLSA-N 2 1 303.475 3.259 20 0 DGADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000343195304 433787006 /nfs/dbraw/zinc/78/70/06/433787006.db2.gz OVARYICDNQAGIZ-NVXWUHKLSA-N 2 1 303.475 3.259 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686911 433790845 /nfs/dbraw/zinc/79/08/45/433790845.db2.gz BUCYOXYKPIHXHH-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686911 433790852 /nfs/dbraw/zinc/79/08/52/433790852.db2.gz BUCYOXYKPIHXHH-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP CCOC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1ccccc1 ZINC000414710370 433805886 /nfs/dbraw/zinc/80/58/86/433805886.db2.gz QABQRJIORVWSBI-BRWVUGGUSA-N 2 1 318.461 3.001 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])Cc1cc(Br)ccc1F ZINC000414732353 433811780 /nfs/dbraw/zinc/81/17/80/433811780.db2.gz ITEKMLXVNLXXNQ-UHFFFAOYSA-N 2 1 303.219 3.147 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])Cc1cc(Br)ccc1F ZINC000414732353 433811790 /nfs/dbraw/zinc/81/17/90/433811790.db2.gz ITEKMLXVNLXXNQ-UHFFFAOYSA-N 2 1 303.219 3.147 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000283984567 433813027 /nfs/dbraw/zinc/81/30/27/433813027.db2.gz HBAJXGQPDPHZRQ-NTFDOXNWSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744613 433815630 /nfs/dbraw/zinc/81/56/30/433815630.db2.gz OPQOHWPHJTYNFE-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744613 433815637 /nfs/dbraw/zinc/81/56/37/433815637.db2.gz OPQOHWPHJTYNFE-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000293652011 433816747 /nfs/dbraw/zinc/81/67/47/433816747.db2.gz KMDKDCHZQIHAAD-IBGZPJMESA-N 2 1 304.478 3.098 20 0 DGADMP CC(C)OC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357011912 433820973 /nfs/dbraw/zinc/82/09/73/433820973.db2.gz KKFIJHCHUCUUJG-KRWDZBQOSA-N 2 1 324.509 3.305 20 0 DGADMP Clc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414837895 433873872 /nfs/dbraw/zinc/87/38/72/433873872.db2.gz WHDGBAQGNWEFNJ-SNVBAGLBSA-N 2 1 317.658 3.192 20 0 DGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414779592 433828477 /nfs/dbraw/zinc/82/84/77/433828477.db2.gz KMIBODNQTDQCNJ-OAHLLOKOSA-N 2 1 322.880 3.090 20 0 DGADMP C[C@@H](CC1CCCCC1)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414782757 433829737 /nfs/dbraw/zinc/82/97/37/433829737.db2.gz OUCNMPHQSROEAO-WMZOPIPTSA-N 2 1 308.510 3.280 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414776770 433829950 /nfs/dbraw/zinc/82/99/50/433829950.db2.gz HRLRXBHWLGATBY-QLFBSQMISA-N 2 1 319.518 3.089 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778866 433830443 /nfs/dbraw/zinc/83/04/43/433830443.db2.gz JMHMKSDIJWCLIV-HHIHMKSESA-N 2 1 300.446 3.030 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776331 433830834 /nfs/dbraw/zinc/83/08/34/433830834.db2.gz HBEJQYTVLMYUAR-ROUUACIJSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980482 433833807 /nfs/dbraw/zinc/83/38/07/433833807.db2.gz CMZYPMORWFSLLA-ZFWWWQNUSA-N 2 1 316.420 3.085 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980482 433833816 /nfs/dbraw/zinc/83/38/16/433833816.db2.gz CMZYPMORWFSLLA-ZFWWWQNUSA-N 2 1 316.420 3.085 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414789024 433835097 /nfs/dbraw/zinc/83/50/97/433835097.db2.gz XRWWATSNMAKUOD-QZTJIDSGSA-N 2 1 314.473 3.297 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789979 433839206 /nfs/dbraw/zinc/83/92/06/433839206.db2.gz ZDUVSQDETBOPFM-MOPGFXCFSA-N 2 1 314.473 3.297 20 0 DGADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2s1 ZINC000414790412 433839857 /nfs/dbraw/zinc/83/98/57/433839857.db2.gz ZUGFKIPZAOZKKZ-HOTGVXAUSA-N 2 1 315.486 3.426 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2O1 ZINC000414789719 433840689 /nfs/dbraw/zinc/84/06/89/433840689.db2.gz YOCBWUVJLMNART-IAGOWNOFSA-N 2 1 314.473 3.222 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000414800248 433844117 /nfs/dbraw/zinc/84/41/17/433844117.db2.gz ZCOYJLKHLOMKKE-KRWDZBQOSA-N 2 1 316.424 3.023 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414807728 433849549 /nfs/dbraw/zinc/84/95/49/433849549.db2.gz CZGXQCCGQHUSFU-KRWDZBQOSA-N 2 1 313.445 3.268 20 0 DGADMP c1csc(N2CCC([NH2+]CC[NH2+]C3CCCCCC3)CC2)n1 ZINC000414812918 433852129 /nfs/dbraw/zinc/85/21/29/433852129.db2.gz QGUDTRYSKIXGOC-UHFFFAOYSA-N 2 1 322.522 3.014 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(C)c(Br)s1 ZINC000414811507 433853501 /nfs/dbraw/zinc/85/35/01/433853501.db2.gz JJJHOMSJVOENFJ-JTQLQIEISA-N 2 1 305.285 3.426 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2cccnc2)CC1)CC1CC1 ZINC000357087583 433856525 /nfs/dbraw/zinc/85/65/25/433856525.db2.gz RBYJIWVTXNGIKP-UHFFFAOYSA-N 2 1 315.505 3.458 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000344292734 433858731 /nfs/dbraw/zinc/85/87/31/433858731.db2.gz GJEAWMULPXGEBB-KNCCTNLNSA-N 2 1 322.399 3.011 20 0 DGADMP c1cc(-c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cs1 ZINC000414825308 433863491 /nfs/dbraw/zinc/86/34/91/433863491.db2.gz HDEDEURLCUBZOD-FUNVUKJBSA-N 2 1 305.472 3.244 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(OCCC)c1 ZINC000414821326 433863749 /nfs/dbraw/zinc/86/37/49/433863749.db2.gz BDHFFDWPBGNWSD-INIZCTEOSA-N 2 1 320.477 3.353 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000414832535 433867007 /nfs/dbraw/zinc/86/70/07/433867007.db2.gz DSNYOQNZGISZCM-MJGOQNOKSA-N 2 1 302.462 3.050 20 0 DGADMP FC(F)(F)COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414832438 433869158 /nfs/dbraw/zinc/86/91/58/433869158.db2.gz QMLNMHCBHDHHFG-PBWFPOADSA-N 2 1 314.351 3.000 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000284249456 433870037 /nfs/dbraw/zinc/87/00/37/433870037.db2.gz IJJLEMQUPMASAD-RYUDHWBXSA-N 2 1 322.840 3.235 20 0 DGADMP C[C@H]1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)C1 ZINC000344521346 433871502 /nfs/dbraw/zinc/87/15/02/433871502.db2.gz GRLFQGLAWMCNEN-MBOZVWFJSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)C1 ZINC000344521346 433871509 /nfs/dbraw/zinc/87/15/09/433871509.db2.gz GRLFQGLAWMCNEN-MBOZVWFJSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1nc(COc2ccc(C[NH2+]CC3([NH3+])CCC3)cc2)cs1 ZINC000414881247 433901149 /nfs/dbraw/zinc/90/11/49/433901149.db2.gz SCCZBGCIBUZQMH-UHFFFAOYSA-N 2 1 317.458 3.002 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000414896611 433902873 /nfs/dbraw/zinc/90/28/73/433902873.db2.gz CGWIEMHXOQRDRV-HNNXBMFYSA-N 2 1 311.267 3.237 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414896469 433905594 /nfs/dbraw/zinc/90/55/94/433905594.db2.gz BYOIVAUMZHURSO-IEBWSBKVSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414896469 433905598 /nfs/dbraw/zinc/90/55/98/433905598.db2.gz BYOIVAUMZHURSO-IEBWSBKVSA-N 3 1 315.505 3.019 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@]1(C)CCC[NH2+]C1 ZINC000414913799 433913086 /nfs/dbraw/zinc/91/30/86/433913086.db2.gz WUTSKHMZZMYLIW-HXUWFJFHSA-N 3 1 317.521 3.124 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414913799 433913095 /nfs/dbraw/zinc/91/30/95/433913095.db2.gz WUTSKHMZZMYLIW-HXUWFJFHSA-N 3 1 317.521 3.124 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414913799 433913101 /nfs/dbraw/zinc/91/31/01/433913101.db2.gz WUTSKHMZZMYLIW-HXUWFJFHSA-N 3 1 317.521 3.124 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436254156 433914403 /nfs/dbraw/zinc/91/44/03/433914403.db2.gz PTAPVPSWZVDYBL-UHFFFAOYSA-N 2 1 300.381 3.382 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227302 433915007 /nfs/dbraw/zinc/91/50/07/433915007.db2.gz DGEJYQUUFCJETF-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP CSC[C@H]1CCC[N@H+]1C[C@H](C)C[NH+]1CCC[C@H]1CSC ZINC000362950911 433922915 /nfs/dbraw/zinc/92/29/15/433922915.db2.gz ITENECKGETWPEP-MUJYYYPQSA-N 2 1 316.580 3.277 20 0 DGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000436273962 433925520 /nfs/dbraw/zinc/92/55/20/433925520.db2.gz KNMTXTLAASKLPB-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414955241 433934194 /nfs/dbraw/zinc/93/41/94/433934194.db2.gz OBLYZUYENRFESS-KCQAQPDRSA-N 2 1 323.868 3.096 20 0 DGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OC(C)C ZINC000414849514 433881716 /nfs/dbraw/zinc/88/17/16/433881716.db2.gz XRJVJSXBHQAHRQ-UHFFFAOYSA-N 2 1 306.450 3.234 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000414851855 433884568 /nfs/dbraw/zinc/88/45/68/433884568.db2.gz PXDPWEMNJPLICX-GOSISDBHSA-N 2 1 302.462 3.051 20 0 DGADMP FC(F)(F)c1cccc(CCCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414860329 433890469 /nfs/dbraw/zinc/89/04/69/433890469.db2.gz CLTFDCFSPNJLDF-OAHLLOKOSA-N 2 1 300.368 3.370 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000422714379 433946755 /nfs/dbraw/zinc/94/67/55/433946755.db2.gz QVBQYIFYFAOWNM-PBWTXFEYSA-N 2 1 304.478 3.130 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C[C@H]1c1ccccc1 ZINC000340216916 433992324 /nfs/dbraw/zinc/99/23/24/433992324.db2.gz FQMNNONQZSSBKD-MSOLQXFVSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C[C@H]1c1ccccc1 ZINC000340216916 433992331 /nfs/dbraw/zinc/99/23/31/433992331.db2.gz FQMNNONQZSSBKD-MSOLQXFVSA-N 2 1 302.462 3.107 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340172529 433953375 /nfs/dbraw/zinc/95/33/75/433953375.db2.gz BFNLMYSIARBUAJ-RBUKOAKNSA-N 2 1 312.461 3.076 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340172529 433953384 /nfs/dbraw/zinc/95/33/84/433953384.db2.gz BFNLMYSIARBUAJ-RBUKOAKNSA-N 2 1 312.461 3.076 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000422728684 433955464 /nfs/dbraw/zinc/95/54/64/433955464.db2.gz GOLDXHVIQMILPH-FHWLQOOXSA-N 2 1 303.494 3.101 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414984690 433958482 /nfs/dbraw/zinc/95/84/82/433958482.db2.gz VLWKUZSMHXHSMH-QGZVFWFLSA-N 2 1 302.393 3.232 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000422737737 433960858 /nfs/dbraw/zinc/96/08/58/433960858.db2.gz HQSCVNWQROEILD-ZRGWGRIASA-N 2 1 318.509 3.010 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285471589 433961244 /nfs/dbraw/zinc/96/12/44/433961244.db2.gz HMYXJQDGMPJYLS-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285471589 433961255 /nfs/dbraw/zinc/96/12/55/433961255.db2.gz HMYXJQDGMPJYLS-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285471589 433961260 /nfs/dbraw/zinc/96/12/60/433961260.db2.gz HMYXJQDGMPJYLS-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@H]1[C@H](NCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340180797 433962845 /nfs/dbraw/zinc/96/28/45/433962845.db2.gz MTGKAEQHHYJMBT-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1[C@H]([NH2+]CCC[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000340180797 433962854 /nfs/dbraw/zinc/96/28/54/433962854.db2.gz MTGKAEQHHYJMBT-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP CCCC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422738227 433962950 /nfs/dbraw/zinc/96/29/50/433962950.db2.gz JGNBRBVRNJHLOA-YJBOKZPZSA-N 2 1 318.509 3.154 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422738227 433962961 /nfs/dbraw/zinc/96/29/61/433962961.db2.gz JGNBRBVRNJHLOA-YJBOKZPZSA-N 2 1 318.509 3.154 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000340183750 433963559 /nfs/dbraw/zinc/96/35/59/433963559.db2.gz BPZJOQUEYQGEIT-XLAORIBOSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000340183750 433963566 /nfs/dbraw/zinc/96/35/66/433963566.db2.gz BPZJOQUEYQGEIT-XLAORIBOSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422745282 433965530 /nfs/dbraw/zinc/96/55/30/433965530.db2.gz LUCGFEMHSSWWLK-POAQFYNOSA-N 2 1 315.505 3.319 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377697679 433966489 /nfs/dbraw/zinc/96/64/89/433966489.db2.gz OMQZUIUEMUVMSU-UHFFFAOYSA-N 2 1 311.429 3.191 20 0 DGADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191399 433972101 /nfs/dbraw/zinc/97/21/01/433972101.db2.gz OGIFORMUVVMSHR-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191399 433972109 /nfs/dbraw/zinc/97/21/09/433972109.db2.gz OGIFORMUVVMSHR-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000415122589 433976519 /nfs/dbraw/zinc/97/65/19/433976519.db2.gz OIIDXDGSFUSOPK-VKJFTORMSA-N 2 1 312.461 3.098 20 0 DGADMP CC1CCN([C@H](C[NH2+]C[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415078797 433977373 /nfs/dbraw/zinc/97/73/73/433977373.db2.gz HASMSPDZDDFOSH-DLBZAZTESA-N 2 1 321.534 3.110 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)C[C@@H]1c1ccccc1 ZINC000340199870 433981861 /nfs/dbraw/zinc/98/18/61/433981861.db2.gz AWXWGHRIEZODNC-IEBWSBKVSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)C[C@@H]1c1ccccc1 ZINC000340199870 433981868 /nfs/dbraw/zinc/98/18/68/433981868.db2.gz AWXWGHRIEZODNC-IEBWSBKVSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340216673 433991767 /nfs/dbraw/zinc/99/17/67/433991767.db2.gz UIZGLFQTVBATEE-HOCLYGCPSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340216673 433991770 /nfs/dbraw/zinc/99/17/70/433991770.db2.gz UIZGLFQTVBATEE-HOCLYGCPSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C[NH3+] ZINC000422640440 433937122 /nfs/dbraw/zinc/93/71/22/433937122.db2.gz VOKSIHOVWYUFJY-UMVBOHGHSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704383 433939017 /nfs/dbraw/zinc/93/90/17/433939017.db2.gz PODLXYUBXUTUMA-KXBFYZLASA-N 2 1 322.456 3.044 20 0 DGADMP Cc1cc(N)cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000414958871 433939369 /nfs/dbraw/zinc/93/93/69/433939369.db2.gz DTEVPEPGBBDYHP-UHFFFAOYSA-N 2 1 323.484 3.374 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)sc1Br ZINC000414959666 433940337 /nfs/dbraw/zinc/94/03/37/433940337.db2.gz XMPWNICCFHMECW-UWVGGRQHSA-N 2 1 303.269 3.049 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340236815 434005912 /nfs/dbraw/zinc/00/59/12/434005912.db2.gz QUKXTNUHEGRDEM-PMACEKPBSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340236815 434005918 /nfs/dbraw/zinc/00/59/18/434005918.db2.gz QUKXTNUHEGRDEM-PMACEKPBSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236827 434008071 /nfs/dbraw/zinc/00/80/71/434008071.db2.gz QUKXTNUHEGRDEM-VQTJNVASSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236827 434008083 /nfs/dbraw/zinc/00/80/83/434008083.db2.gz QUKXTNUHEGRDEM-VQTJNVASSA-N 3 1 315.505 3.143 20 0 DGADMP COCc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422801664 434013845 /nfs/dbraw/zinc/01/38/45/434013845.db2.gz CIPOUXVFTFUENQ-PMACEKPBSA-N 2 1 310.441 3.416 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841190 434014224 /nfs/dbraw/zinc/01/42/24/434014224.db2.gz ZMKUVFKBVNTAQM-DZGCQCFKSA-N 2 1 307.507 3.357 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841190 434014237 /nfs/dbraw/zinc/01/42/37/434014237.db2.gz ZMKUVFKBVNTAQM-DZGCQCFKSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841190 434014245 /nfs/dbraw/zinc/01/42/45/434014245.db2.gz ZMKUVFKBVNTAQM-DZGCQCFKSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841190 434014251 /nfs/dbraw/zinc/01/42/51/434014251.db2.gz ZMKUVFKBVNTAQM-DZGCQCFKSA-N 2 1 307.507 3.357 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340253737 434015032 /nfs/dbraw/zinc/01/50/32/434015032.db2.gz BPFJPVVWGOMKDB-UXPWSPDFSA-N 2 1 309.457 3.438 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340253737 434015044 /nfs/dbraw/zinc/01/50/44/434015044.db2.gz BPFJPVVWGOMKDB-UXPWSPDFSA-N 2 1 309.457 3.438 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+](C)C1CCCCC1 ZINC000422812048 434021325 /nfs/dbraw/zinc/02/13/25/434021325.db2.gz XAMFJRZGUFQAGO-FXAWDEMLSA-N 2 1 317.521 3.189 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422809020 434021728 /nfs/dbraw/zinc/02/17/28/434021728.db2.gz RCRSKMKCBOGVGZ-MOPGFXCFSA-N 2 1 314.404 3.374 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000294162237 434024575 /nfs/dbraw/zinc/02/45/75/434024575.db2.gz ILJFKIIMJNIIKS-LPHOPBHVSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)o1 ZINC000340271036 434024881 /nfs/dbraw/zinc/02/48/81/434024881.db2.gz JHGPXNBDDMYNSH-PKOBYXMFSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)o1 ZINC000340271036 434024888 /nfs/dbraw/zinc/02/48/88/434024888.db2.gz JHGPXNBDDMYNSH-PKOBYXMFSA-N 2 1 313.445 3.259 20 0 DGADMP C[C@H](CCN[C@@H](C)c1c[nH+]ccc1N)[N@@H+](C)Cc1ccccc1 ZINC000422823601 434031133 /nfs/dbraw/zinc/03/11/33/434031133.db2.gz LWLDYSXYWPTQJN-CVEARBPZSA-N 2 1 312.461 3.055 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831696 434036000 /nfs/dbraw/zinc/03/60/00/434036000.db2.gz TXXHOMJTGDGRJF-MSOLQXFVSA-N 2 1 320.440 3.054 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836386 434040953 /nfs/dbraw/zinc/04/09/53/434040953.db2.gz JXALDPIMLUSTQK-KTLDDFEXSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836386 434040958 /nfs/dbraw/zinc/04/09/58/434040958.db2.gz JXALDPIMLUSTQK-KTLDDFEXSA-N 3 1 315.505 3.004 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422835109 434042911 /nfs/dbraw/zinc/04/29/11/434042911.db2.gz IHSZVOZUQKTTCX-RYRKJORJSA-N 3 1 321.534 3.067 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422835109 434042919 /nfs/dbraw/zinc/04/29/19/434042919.db2.gz IHSZVOZUQKTTCX-RYRKJORJSA-N 3 1 321.534 3.067 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340299600 434044839 /nfs/dbraw/zinc/04/48/39/434044839.db2.gz HGBSUTZLZUHOIS-JQHSSLGASA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340299600 434044849 /nfs/dbraw/zinc/04/48/49/434044849.db2.gz HGBSUTZLZUHOIS-JQHSSLGASA-N 2 1 304.478 3.209 20 0 DGADMP CC[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)OCCc2ccccc21 ZINC000377799552 434001040 /nfs/dbraw/zinc/00/10/40/434001040.db2.gz WCGFABKLXWYZGZ-DLZDZTESSA-N 2 1 314.473 3.079 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422868818 434065645 /nfs/dbraw/zinc/06/56/45/434065645.db2.gz WEVFABLDKYQSHN-IRXDYDNUSA-N 3 1 303.494 3.136 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877070 434069702 /nfs/dbraw/zinc/06/97/02/434069702.db2.gz HKCMWJJRYRCPGC-GGPKGHCWSA-N 3 1 317.521 3.047 20 0 DGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422877070 434069710 /nfs/dbraw/zinc/06/97/10/434069710.db2.gz HKCMWJJRYRCPGC-GGPKGHCWSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877070 434069722 /nfs/dbraw/zinc/06/97/22/434069722.db2.gz HKCMWJJRYRCPGC-GGPKGHCWSA-N 2 1 317.521 3.047 20 0 DGADMP N[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878981 434075138 /nfs/dbraw/zinc/07/51/38/434075138.db2.gz LPVPCTHDUVGGME-MSOLQXFVSA-N 2 1 321.896 3.021 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422878990 434078324 /nfs/dbraw/zinc/07/83/24/434078324.db2.gz JWGFCOBZCRUTAX-JSJNYSNDSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422878990 434078335 /nfs/dbraw/zinc/07/83/35/434078335.db2.gz JWGFCOBZCRUTAX-JSJNYSNDSA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422878990 434078347 /nfs/dbraw/zinc/07/83/47/434078347.db2.gz JWGFCOBZCRUTAX-JSJNYSNDSA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000422878990 434078356 /nfs/dbraw/zinc/07/83/56/434078356.db2.gz JWGFCOBZCRUTAX-JSJNYSNDSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000422878990 434078361 /nfs/dbraw/zinc/07/83/61/434078361.db2.gz JWGFCOBZCRUTAX-JSJNYSNDSA-N 2 1 315.505 3.479 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422881745 434078410 /nfs/dbraw/zinc/07/84/10/434078410.db2.gz OHLQJFFVZRLDGJ-LSDHHAIUSA-N 2 1 316.367 3.377 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882938 434079957 /nfs/dbraw/zinc/07/99/57/434079957.db2.gz PPTOKNPDUBRFJK-HLIPFELVSA-N 2 1 315.505 3.149 20 0 DGADMP Cc1ccc(CCC[NH+]2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000353364542 434080103 /nfs/dbraw/zinc/08/01/03/434080103.db2.gz QLMFYLDHGNBXBT-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C[C@@H]1c1ccccc1 ZINC000340350571 434080268 /nfs/dbraw/zinc/08/02/68/434080268.db2.gz OOZNJUBEELMYCQ-GBESFXJTSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C[C@@H]1c1ccccc1 ZINC000340350571 434080277 /nfs/dbraw/zinc/08/02/77/434080277.db2.gz OOZNJUBEELMYCQ-GBESFXJTSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@H]1CCC[NH2+]1 ZINC000422906741 434100533 /nfs/dbraw/zinc/10/05/33/434100533.db2.gz AKSAHZPLUWRSJE-DZGCQCFKSA-N 2 1 307.507 3.463 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340361721 434086977 /nfs/dbraw/zinc/08/69/77/434086977.db2.gz ULIRSGRRVNAGLE-BZSNNMDCSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340361721 434086983 /nfs/dbraw/zinc/08/69/83/434086983.db2.gz ULIRSGRRVNAGLE-BZSNNMDCSA-N 2 1 304.478 3.209 20 0 DGADMP CN1CC[C@H]([NH2+][C@@H](CCO)c2ccco2)C[C@H]1c1ccccc1 ZINC000340362153 434087970 /nfs/dbraw/zinc/08/79/70/434087970.db2.gz NOGAOYZKKOEWNC-BZSNNMDCSA-N 2 1 314.429 3.128 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719907 434095387 /nfs/dbraw/zinc/09/53/87/434095387.db2.gz LVXXWEYMAHXHDK-UFYCRDLUSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309719907 434095402 /nfs/dbraw/zinc/09/54/02/434095402.db2.gz LVXXWEYMAHXHDK-UFYCRDLUSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719907 434095410 /nfs/dbraw/zinc/09/54/10/434095410.db2.gz LVXXWEYMAHXHDK-UFYCRDLUSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000378162406 434097952 /nfs/dbraw/zinc/09/79/52/434097952.db2.gz RWDHCLFLQDCPSI-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309756404 434097995 /nfs/dbraw/zinc/09/79/95/434097995.db2.gz XCPUALUHGPOZKP-GUDVDZBRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C2CC2)c1 ZINC000340380143 434098099 /nfs/dbraw/zinc/09/80/99/434098099.db2.gz FUICQIOBASLGAZ-INIZCTEOSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840450 434048722 /nfs/dbraw/zinc/04/87/22/434048722.db2.gz SYGXCIPQWXEEDU-XYJFISCASA-N 2 1 321.534 3.080 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852769 434058005 /nfs/dbraw/zinc/05/80/05/434058005.db2.gz BHHAEZAHFQKGBN-ABSDTBQOSA-N 2 1 315.505 3.291 20 0 DGADMP Cc1ccncc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285759643 434060566 /nfs/dbraw/zinc/06/05/66/434060566.db2.gz ZJAOHPDFNBPCLC-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ccncc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285759643 434060576 /nfs/dbraw/zinc/06/05/76/434060576.db2.gz ZJAOHPDFNBPCLC-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ccncc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285759643 434060584 /nfs/dbraw/zinc/06/05/84/434060584.db2.gz ZJAOHPDFNBPCLC-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ccncc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285759643 434060593 /nfs/dbraw/zinc/06/05/93/434060593.db2.gz ZJAOHPDFNBPCLC-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422915815 434105752 /nfs/dbraw/zinc/10/57/52/434105752.db2.gz ZDQXLHGKBJPVFE-VQIMIIECSA-N 3 1 303.494 3.005 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310006291 434107742 /nfs/dbraw/zinc/10/77/42/434107742.db2.gz HUJPSUHHRQUCTL-IEBWSBKVSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310006291 434107756 /nfs/dbraw/zinc/10/77/56/434107756.db2.gz HUJPSUHHRQUCTL-IEBWSBKVSA-N 2 1 303.494 3.006 20 0 DGADMP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc(C)[nH+]1 ZINC000310431350 434113033 /nfs/dbraw/zinc/11/30/33/434113033.db2.gz SSOPXGYBNJTLBW-OALUTQOASA-N 2 1 322.456 3.052 20 0 DGADMP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc(C)[nH+]1 ZINC000310431350 434113040 /nfs/dbraw/zinc/11/30/40/434113040.db2.gz SSOPXGYBNJTLBW-OALUTQOASA-N 2 1 322.456 3.052 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422928046 434114900 /nfs/dbraw/zinc/11/49/00/434114900.db2.gz IQDLCSNOIQAZOL-JMSVASOKSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311767705 434115616 /nfs/dbraw/zinc/11/56/16/434115616.db2.gz WUGREJWSAWMAGG-YUELXQCFSA-N 2 1 323.278 3.442 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499243617 294081348 /nfs/dbraw/zinc/08/13/48/294081348.db2.gz KDLZJDUKHIONBX-NNZMDNLPSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499228717 294081511 /nfs/dbraw/zinc/08/15/11/294081511.db2.gz MMAODDAJBWXSMU-YSTOQKLRSA-N 2 1 316.489 3.179 20 0 DGADMP CO[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000363699355 434123767 /nfs/dbraw/zinc/12/37/67/434123767.db2.gz KVGDMRHDQDTUPV-QGZVFWFLSA-N 2 1 302.462 3.009 20 0 DGADMP CCc1ccc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000501086466 294131351 /nfs/dbraw/zinc/13/13/51/294131351.db2.gz BMHXSWOXJORPRT-UHFFFAOYSA-N 2 1 317.521 3.097 20 0 DGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000502693623 294172403 /nfs/dbraw/zinc/17/24/03/294172403.db2.gz KBRGCAAVJVLLAE-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000502693623 294172404 /nfs/dbraw/zinc/17/24/04/294172404.db2.gz KBRGCAAVJVLLAE-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000502693623 294172406 /nfs/dbraw/zinc/17/24/06/294172406.db2.gz KBRGCAAVJVLLAE-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1F ZINC000503914837 294204727 /nfs/dbraw/zinc/20/47/27/294204727.db2.gz ZLWLCBZESAOZHN-DMRZNYOFSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1F ZINC000503914837 294204730 /nfs/dbraw/zinc/20/47/30/294204730.db2.gz ZLWLCBZESAOZHN-DMRZNYOFSA-N 2 1 306.425 3.153 20 0 DGADMP c1ccc(N2CCN(CCC[N@H+]3CC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000509181807 294342139 /nfs/dbraw/zinc/34/21/39/294342139.db2.gz SIKIMRGTPGMQRI-AZUAARDMSA-N 2 1 313.489 3.073 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000353437998 434131685 /nfs/dbraw/zinc/13/16/85/434131685.db2.gz UHNFYKIWNGKLBF-AWEZNQCLSA-N 2 1 320.477 3.017 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000510117489 294374974 /nfs/dbraw/zinc/37/49/74/294374974.db2.gz GCCKWHKZOGMTNO-CVEARBPZSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000510117489 294374976 /nfs/dbraw/zinc/37/49/76/294374976.db2.gz GCCKWHKZOGMTNO-CVEARBPZSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510159765 294376343 /nfs/dbraw/zinc/37/63/43/294376343.db2.gz MQSXJNACRPRJSS-YVSFHVDLSA-N 2 1 304.478 3.279 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510159765 294376348 /nfs/dbraw/zinc/37/63/48/294376348.db2.gz MQSXJNACRPRJSS-YVSFHVDLSA-N 2 1 304.478 3.279 20 0 DGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000510697004 294390182 /nfs/dbraw/zinc/39/01/82/294390182.db2.gz BJVSULBZGMPPIG-ZIAGYGMSSA-N 2 1 308.416 3.360 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000353453199 434141185 /nfs/dbraw/zinc/14/11/85/434141185.db2.gz DYVGWYZWZQIFIK-KBPBESRZSA-N 2 1 324.490 3.307 20 0 DGADMP FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353454784 434143066 /nfs/dbraw/zinc/14/30/66/434143066.db2.gz LSSSUYIJBZFMKU-OALUTQOASA-N 2 1 320.452 3.137 20 0 DGADMP CCCCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422967796 434145564 /nfs/dbraw/zinc/14/55/64/434145564.db2.gz COSMTQDDTTWTBH-KZNAEPCWSA-N 2 1 317.477 3.271 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC000314565944 434145953 /nfs/dbraw/zinc/14/59/53/434145953.db2.gz CAOGFXRYIOZUHJ-MELADBBJSA-N 2 1 310.404 3.052 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC=CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422972467 434147127 /nfs/dbraw/zinc/14/71/27/434147127.db2.gz LSUTXWRJYONZGV-MNEFBYGVSA-N 2 1 300.446 3.434 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422976974 434147237 /nfs/dbraw/zinc/14/72/37/434147237.db2.gz FFFNDHTXBRFYAB-LZQZEXGQSA-N 2 1 302.462 3.058 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(C)c1 ZINC000353464782 434149656 /nfs/dbraw/zinc/14/96/56/434149656.db2.gz VJCDTRSHTCZLKS-FQEVSTJZSA-N 2 1 317.521 3.453 20 0 DGADMP Cc1ccc(OCCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000315194343 434158475 /nfs/dbraw/zinc/15/84/75/434158475.db2.gz FFZRGUIUPGWKSO-JWTNVVGKSA-N 2 1 302.462 3.287 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998421 434159129 /nfs/dbraw/zinc/15/91/29/434159129.db2.gz CQLKRFYNQQFMTF-RAUXBKROSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998421 434159140 /nfs/dbraw/zinc/15/91/40/434159140.db2.gz CQLKRFYNQQFMTF-RAUXBKROSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998421 434159149 /nfs/dbraw/zinc/15/91/49/434159149.db2.gz CQLKRFYNQQFMTF-RAUXBKROSA-N 2 1 315.505 3.017 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000315633864 434169764 /nfs/dbraw/zinc/16/97/64/434169764.db2.gz YDBNYGHHXLQMNR-DLBZAZTESA-N 2 1 304.478 3.480 20 0 DGADMP CC[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCCC[NH2+]1 ZINC000423023138 434173443 /nfs/dbraw/zinc/17/34/43/434173443.db2.gz JDIKBODZGGLRDY-GJZGRUSLSA-N 2 1 309.523 3.493 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000423032921 434178386 /nfs/dbraw/zinc/17/83/86/434178386.db2.gz FUCLCGBRGGKRMI-FGTMMUONSA-N 3 1 307.526 3.009 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423039181 434183223 /nfs/dbraw/zinc/18/32/23/434183223.db2.gz DVMHRXNTKZSDJG-ROUUACIJSA-N 2 1 301.478 3.427 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423052143 434194615 /nfs/dbraw/zinc/19/46/15/434194615.db2.gz PVGRPQHWLUSFPH-UKRRQHHQSA-N 2 1 311.429 3.273 20 0 DGADMP CCCc1ccc2[nH+]ccc(N[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000450456064 434198026 /nfs/dbraw/zinc/19/80/26/434198026.db2.gz WQCMKMAEBKRIDM-HNNXBMFYSA-N 2 1 306.413 3.233 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061401 434198828 /nfs/dbraw/zinc/19/88/28/434198828.db2.gz KQMKDWSXXFXOSA-SLFFLAALSA-N 2 1 315.505 3.004 20 0 DGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061401 434198835 /nfs/dbraw/zinc/19/88/35/434198835.db2.gz KQMKDWSXXFXOSA-SLFFLAALSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061527 434199984 /nfs/dbraw/zinc/19/99/84/434199984.db2.gz RBMKZYOEVZTHMT-WFASDCNBSA-N 2 1 312.379 3.325 20 0 DGADMP COc1ccc2oc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2c1 ZINC000295100774 434200462 /nfs/dbraw/zinc/20/04/62/434200462.db2.gz UWBHWUCUHXLXGK-GOOCMWNKSA-N 2 1 300.402 3.156 20 0 DGADMP CC(=O)c1cccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000450458938 434200407 /nfs/dbraw/zinc/20/04/07/434200407.db2.gz ZHNGQBPRIWFZLE-SFHVURJKSA-N 2 1 300.446 3.053 20 0 DGADMP COc1ccc2oc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c1 ZINC000295100774 434200473 /nfs/dbraw/zinc/20/04/73/434200473.db2.gz UWBHWUCUHXLXGK-GOOCMWNKSA-N 2 1 300.402 3.156 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423076862 434207567 /nfs/dbraw/zinc/20/75/67/434207567.db2.gz RZJPPCYXGHOLRV-WBVHZDCISA-N 2 1 301.478 3.361 20 0 DGADMP CO[C@H](C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286277646 434216326 /nfs/dbraw/zinc/21/63/26/434216326.db2.gz VQBJQONNOJOIJY-IPJUCJBFSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1CC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000423098761 434219738 /nfs/dbraw/zinc/21/97/38/434219738.db2.gz LHINRQQTPPNGAV-OHDICMOHSA-N 2 1 302.462 3.273 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000320585659 434241385 /nfs/dbraw/zinc/24/13/85/434241385.db2.gz BMNFWSPSUSBUNF-JKSUJKDBSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423137167 434243380 /nfs/dbraw/zinc/24/33/80/434243380.db2.gz HUURFCYOWAJMKB-MZGVZZPPSA-N 2 1 323.278 3.425 20 0 DGADMP Fc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(C(F)(F)F)c1 ZINC000321002539 434244132 /nfs/dbraw/zinc/24/41/32/434244132.db2.gz RHKPMRYNWCHGLO-BETUJISGSA-N 2 1 316.342 3.276 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000353580109 434246369 /nfs/dbraw/zinc/24/63/69/434246369.db2.gz HKIDVXNOMLZESE-FHERZECASA-N 2 1 312.498 3.205 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000353580109 434246378 /nfs/dbraw/zinc/24/63/78/434246378.db2.gz HKIDVXNOMLZESE-FHERZECASA-N 2 1 312.498 3.205 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000423148772 434246408 /nfs/dbraw/zinc/24/64/08/434246408.db2.gz WMUCOFYTITWUQQ-AEFFLSMTSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000423148774 434248403 /nfs/dbraw/zinc/24/84/03/434248403.db2.gz WMUCOFYTITWUQQ-WMZOPIPTSA-N 2 1 318.509 3.010 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379652677 434257416 /nfs/dbraw/zinc/25/74/16/434257416.db2.gz XRHDEUHESJFURQ-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379652677 434257419 /nfs/dbraw/zinc/25/74/19/434257419.db2.gz XRHDEUHESJFURQ-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176043 434263863 /nfs/dbraw/zinc/26/38/63/434263863.db2.gz BQRDEWKLGSAZOQ-CYBMUJFWSA-N 2 1 315.486 3.445 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000323160349 434264278 /nfs/dbraw/zinc/26/42/78/434264278.db2.gz IHQMPJXJRKEHTK-MOPGFXCFSA-N 2 1 316.489 3.097 20 0 DGADMP CN1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)Cc2ccccc21 ZINC000340650499 434270923 /nfs/dbraw/zinc/27/09/23/434270923.db2.gz ICVIWVKBXACLHO-UHFFFAOYSA-N 2 1 318.424 3.324 20 0 DGADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1OC ZINC000423188579 434272332 /nfs/dbraw/zinc/27/23/32/434272332.db2.gz ODULXDZOJVPKOV-GOSISDBHSA-N 2 1 313.445 3.311 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000381984423 434274373 /nfs/dbraw/zinc/27/43/73/434274373.db2.gz NOTYFPLNYTYOLB-MDNKFWRPSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC000324539972 434274855 /nfs/dbraw/zinc/27/48/55/434274855.db2.gz ZLXBGISWDCTDTM-KDURUIRLSA-N 2 1 310.441 3.280 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCCC34CCOCC4)CC[NH2+]2)cc1 ZINC000423113237 434223010 /nfs/dbraw/zinc/22/30/10/434223010.db2.gz KQOKAZRYLFCZIN-FHWLQOOXSA-N 2 1 314.473 3.419 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000353563594 434228182 /nfs/dbraw/zinc/22/81/82/434228182.db2.gz FQMQDPGVMQFLPI-MAUKXSAKSA-N 2 1 310.457 3.092 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000353563594 434228189 /nfs/dbraw/zinc/22/81/89/434228189.db2.gz FQMQDPGVMQFLPI-MAUKXSAKSA-N 2 1 310.457 3.092 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295160548 434234156 /nfs/dbraw/zinc/23/41/56/434234156.db2.gz SDGHBISANBZLCD-JENIJYKNSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295160548 434234165 /nfs/dbraw/zinc/23/41/65/434234165.db2.gz SDGHBISANBZLCD-JENIJYKNSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)Cc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423120793 434234829 /nfs/dbraw/zinc/23/48/29/434234829.db2.gz HQHYWATYZMYEJE-BXWFABGCSA-N 2 1 305.510 3.203 20 0 DGADMP C[C@@H]([NH2+]C1(Cc2ccccc2Br)CC1)[C@H]1CCC[NH2+]1 ZINC000423125086 434235399 /nfs/dbraw/zinc/23/53/99/434235399.db2.gz HKYRCLLMCPCKBN-IUODEOHRSA-N 2 1 323.278 3.254 20 0 DGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000340600601 434235780 /nfs/dbraw/zinc/23/57/80/434235780.db2.gz HMOKWJJZYLGOTO-CQSZACIVSA-N 2 1 308.470 3.308 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423127899 434236751 /nfs/dbraw/zinc/23/67/51/434236751.db2.gz PXZKFBOWYXFWCL-SDBXPKJASA-N 2 1 308.294 3.201 20 0 DGADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423128004 434237878 /nfs/dbraw/zinc/23/78/78/434237878.db2.gz CUNPSDCZFJIOEZ-BBWFWOEESA-N 2 1 324.415 3.045 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000382831674 434283155 /nfs/dbraw/zinc/28/31/55/434283155.db2.gz IZOLEEPYMJALQI-QZTJIDSGSA-N 2 1 307.526 3.105 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC000358101653 434333406 /nfs/dbraw/zinc/33/34/06/434333406.db2.gz SVVPVPLBDWOEHW-JQWIXIFHSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC000358101653 434333414 /nfs/dbraw/zinc/33/34/14/434333414.db2.gz SVVPVPLBDWOEHW-JQWIXIFHSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000423217263 434291675 /nfs/dbraw/zinc/29/16/75/434291675.db2.gz PTWKGLJRTRBHSL-GRYCIOLGSA-N 2 1 316.367 3.466 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000358030440 434294625 /nfs/dbraw/zinc/29/46/25/434294625.db2.gz AMUSWNSABPLEPO-RBUKOAKNSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000423257889 434317891 /nfs/dbraw/zinc/31/78/91/434317891.db2.gz ANFYWOXLAZJIPT-YCPHGPKFSA-N 2 1 308.466 3.159 20 0 DGADMP CC(C)(C)C1CCC(O)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358081036 434320612 /nfs/dbraw/zinc/32/06/12/434320612.db2.gz JOGGDRGQMLXXGT-ISXWCOSWSA-N 2 1 308.510 3.170 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000423268236 434322662 /nfs/dbraw/zinc/32/26/62/434322662.db2.gz UNHOBZISOSQRPO-JQHSSLGASA-N 2 1 324.509 3.386 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423277816 434334375 /nfs/dbraw/zinc/33/43/75/434334375.db2.gz OYWDXGMOXYHWNQ-KZNAEPCWSA-N 2 1 306.494 3.236 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000388108581 434325619 /nfs/dbraw/zinc/32/56/19/434325619.db2.gz WSNVLOPGVVEQNC-NVXWUHKLSA-N 2 1 305.466 3.269 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353675246 434327070 /nfs/dbraw/zinc/32/70/70/434327070.db2.gz SZPFHEUVGCKHSB-ZCNNSNEGSA-N 2 1 324.472 3.143 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C1CC1 ZINC000423320759 434361095 /nfs/dbraw/zinc/36/10/95/434361095.db2.gz MPQCWPQZUQMXRJ-GXFFZTMASA-N 2 1 315.280 3.289 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000423317892 434361581 /nfs/dbraw/zinc/36/15/81/434361581.db2.gz KUODDDFXTIYCAZ-LSDHHAIUSA-N 2 1 314.351 3.363 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423331336 434364042 /nfs/dbraw/zinc/36/40/42/434364042.db2.gz PYJSZANEGPKZLN-LLVKDONJSA-N 2 1 302.340 3.160 20 0 DGADMP CSc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000366230190 434365612 /nfs/dbraw/zinc/36/56/12/434365612.db2.gz CAYBSUFPCQGNKM-QEJZJMRPSA-N 2 1 324.465 3.061 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1F ZINC000366230190 434365624 /nfs/dbraw/zinc/36/56/24/434365624.db2.gz CAYBSUFPCQGNKM-QEJZJMRPSA-N 2 1 324.465 3.061 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)CC[N@H+]1C ZINC000287466236 434366662 /nfs/dbraw/zinc/36/66/62/434366662.db2.gz MDYAZEQVFZTKHC-XJKSGUPXSA-N 2 1 305.853 3.367 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745204 434391454 /nfs/dbraw/zinc/39/14/54/434391454.db2.gz HSXIVUFRBDAZSP-QAPCUYQASA-N 2 1 300.446 3.267 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745204 434391466 /nfs/dbraw/zinc/39/14/66/434391466.db2.gz HSXIVUFRBDAZSP-QAPCUYQASA-N 2 1 300.446 3.267 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745204 434391479 /nfs/dbraw/zinc/39/14/79/434391479.db2.gz HSXIVUFRBDAZSP-QAPCUYQASA-N 2 1 300.446 3.267 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=Cc3ccccc3OC2)C[C@H]1C ZINC000353745204 434391486 /nfs/dbraw/zinc/39/14/86/434391486.db2.gz HSXIVUFRBDAZSP-QAPCUYQASA-N 2 1 300.446 3.267 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)C[NH3+])CCC3)cc1 ZINC000423368060 434384388 /nfs/dbraw/zinc/38/43/88/434384388.db2.gz MYDYAAFIVPVDHI-GXTWGEPZSA-N 2 1 301.459 3.433 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000423371344 434390027 /nfs/dbraw/zinc/39/00/27/434390027.db2.gz VDGLVFDWTWSRSZ-NWDGAFQWSA-N 2 1 302.340 3.378 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353686010 434334751 /nfs/dbraw/zinc/33/47/51/434334751.db2.gz WJIBXCMZUWRNTJ-XYCLOBBJSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287335636 434336035 /nfs/dbraw/zinc/33/60/35/434336035.db2.gz GCWMAOQOUCUEMA-CRAIPNDOSA-N 2 1 304.503 3.035 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423279972 434339551 /nfs/dbraw/zinc/33/95/51/434339551.db2.gz TVTXAFKTHODWBB-CYBMUJFWSA-N 2 1 304.384 3.499 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423279973 434341130 /nfs/dbraw/zinc/34/11/30/434341130.db2.gz TVTXAFKTHODWBB-ZDUSSCGKSA-N 2 1 304.384 3.499 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288781 434343949 /nfs/dbraw/zinc/34/39/49/434343949.db2.gz UZHLUKOPXMQZHO-FUHWJXTLSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287391947 434349909 /nfs/dbraw/zinc/34/99/09/434349909.db2.gz ISNPFMVMOOVPSC-AHCXZYCDSA-N 2 1 304.503 3.238 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000423303401 434350410 /nfs/dbraw/zinc/35/04/10/434350410.db2.gz XAZCCOCPAYKGRE-CJNGLKHVSA-N 2 1 308.466 3.050 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C(F)(F)F)c1 ZINC000389807980 434352351 /nfs/dbraw/zinc/35/23/51/434352351.db2.gz KIMOIAKUWCGPDG-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000287410754 434353582 /nfs/dbraw/zinc/35/35/82/434353582.db2.gz JQAQUNSUDDYJEB-HNBVOPMISA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000287410754 434353591 /nfs/dbraw/zinc/35/35/91/434353591.db2.gz JQAQUNSUDDYJEB-HNBVOPMISA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000437852493 434354112 /nfs/dbraw/zinc/35/41/12/434354112.db2.gz QKVDFBCHXWMWES-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)sc1Br ZINC000423311260 434354445 /nfs/dbraw/zinc/35/44/45/434354445.db2.gz BNSBHPJTYZUHRZ-WPRPVWTQSA-N 2 1 303.269 3.207 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337727 434357020 /nfs/dbraw/zinc/35/70/20/434357020.db2.gz XJODQWYAAYWQCZ-LTIDMASMSA-N 2 1 322.518 3.331 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337727 434357034 /nfs/dbraw/zinc/35/70/34/434357034.db2.gz XJODQWYAAYWQCZ-LTIDMASMSA-N 2 1 322.518 3.331 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557141 434359866 /nfs/dbraw/zinc/35/98/66/434359866.db2.gz LRYYRIVENQLCQK-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557141 434359873 /nfs/dbraw/zinc/35/98/73/434359873.db2.gz LRYYRIVENQLCQK-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C1CC1 ZINC000423320761 434360647 /nfs/dbraw/zinc/36/06/47/434360647.db2.gz MPQCWPQZUQMXRJ-ZWNOBZJWSA-N 2 1 315.280 3.289 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000397932693 434445300 /nfs/dbraw/zinc/44/53/00/434445300.db2.gz MTIULSOOIKPZHS-YJBOKZPZSA-N 2 1 304.503 3.177 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423378767 434392984 /nfs/dbraw/zinc/39/29/84/434392984.db2.gz ZUWHBIHIGRKDFL-CMPLNLGQSA-N 2 1 315.230 3.381 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000396791955 434428617 /nfs/dbraw/zinc/42/86/17/434428617.db2.gz LHZCDVODVRZFLW-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000396791955 434428629 /nfs/dbraw/zinc/42/86/29/434428629.db2.gz LHZCDVODVRZFLW-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423448091 434429815 /nfs/dbraw/zinc/42/98/15/434429815.db2.gz DTTGTVXYEAYEIW-IPJUCJBFSA-N 3 1 303.494 3.147 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287699669 434431384 /nfs/dbraw/zinc/43/13/84/434431384.db2.gz JCDXICYFADYILI-SFHVURJKSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287699669 434431388 /nfs/dbraw/zinc/43/13/88/434431388.db2.gz JCDXICYFADYILI-SFHVURJKSA-N 2 1 320.452 3.291 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cc(F)cc(Br)c1 ZINC000423456186 434433983 /nfs/dbraw/zinc/43/39/83/434433983.db2.gz DJOANZOFUWYJMX-QWHCGFSZSA-N 2 1 303.219 3.366 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000423465015 434436973 /nfs/dbraw/zinc/43/69/73/434436973.db2.gz MIUYIVUAVINBBC-TVQRCGJNSA-N 2 1 317.658 3.417 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccn1 ZINC000423463943 434437806 /nfs/dbraw/zinc/43/78/06/434437806.db2.gz GCJQNPDWFBREGB-UWWQBHOKSA-N 2 1 313.420 3.265 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCC(C)(C)C)c2)CCO1 ZINC000438210833 434437824 /nfs/dbraw/zinc/43/78/24/434437824.db2.gz VBUSFJYQGYDAMC-MRXNPFEDSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC(C)(C)C)c2)CCO1 ZINC000438210833 434437836 /nfs/dbraw/zinc/43/78/36/434437836.db2.gz VBUSFJYQGYDAMC-MRXNPFEDSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H](N[C@H](C[NH3+])C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496491 434461788 /nfs/dbraw/zinc/46/17/88/434461788.db2.gz FAGLIUZFGAPUCR-FFZOFVMBSA-N 2 1 315.505 3.004 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423517953 434470662 /nfs/dbraw/zinc/47/06/62/434470662.db2.gz UTQFGFMKXOSOCV-IQNGYNMSSA-N 3 1 315.505 3.147 20 0 DGADMP CSCC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423527315 434474441 /nfs/dbraw/zinc/47/44/41/434474441.db2.gz MHCHEACTQOCZGY-DQVOVIAYSA-N 2 1 304.503 3.253 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C3(C)CC3)cc2)CC1 ZINC000360010185 434474801 /nfs/dbraw/zinc/47/48/01/434474801.db2.gz FBWSQFNVWLMHPW-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@@H+]1C ZINC000360022749 434477427 /nfs/dbraw/zinc/47/74/27/434477427.db2.gz IMZIKENPDDDJMY-WMZOPIPTSA-N 2 1 324.472 3.422 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@H+]1C ZINC000360022749 434477433 /nfs/dbraw/zinc/47/74/33/434477433.db2.gz IMZIKENPDDDJMY-WMZOPIPTSA-N 2 1 324.472 3.422 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000353850350 434480150 /nfs/dbraw/zinc/48/01/50/434480150.db2.gz WCTHWNDCRAILTG-SUMWQHHRSA-N 2 1 304.413 3.349 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000360029605 434481231 /nfs/dbraw/zinc/48/12/31/434481231.db2.gz QABUZAUMQQUXFX-CQSZACIVSA-N 2 1 310.507 3.246 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cc1 ZINC000400520930 434487801 /nfs/dbraw/zinc/48/78/01/434487801.db2.gz DQBKMANIOWIUEZ-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1sccc1Br ZINC000401888924 434500163 /nfs/dbraw/zinc/50/01/63/434500163.db2.gz WARHIYGSBAJOAO-VIFPVBQESA-N 2 1 314.252 3.137 20 0 DGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423491833 434456553 /nfs/dbraw/zinc/45/65/53/434456553.db2.gz KPFMKXCONLSAQH-OALUTQOASA-N 2 1 320.477 3.141 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823613 434457843 /nfs/dbraw/zinc/45/78/43/434457843.db2.gz AQUYPLWJOMQXLD-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823613 434457856 /nfs/dbraw/zinc/45/78/56/434457856.db2.gz AQUYPLWJOMQXLD-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000353823613 434457863 /nfs/dbraw/zinc/45/78/63/434457863.db2.gz AQUYPLWJOMQXLD-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000353823613 434457874 /nfs/dbraw/zinc/45/78/74/434457874.db2.gz AQUYPLWJOMQXLD-ICSRJNTNSA-N 2 1 313.489 3.271 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H]1CC[NH3+] ZINC000404378099 434510287 /nfs/dbraw/zinc/51/02/87/434510287.db2.gz SUGWNEJRQKAREV-CJNGLKHVSA-N 2 1 323.868 3.118 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1CC[NH3+] ZINC000404393126 434514751 /nfs/dbraw/zinc/51/47/51/434514751.db2.gz ZCVJOXSPRYOIFU-CJNGLKHVSA-N 2 1 323.868 3.118 20 0 DGADMP CCn1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c2ccccc21 ZINC000404437235 434516399 /nfs/dbraw/zinc/51/63/99/434516399.db2.gz RWEKDNNNOMSSJX-PBHICJAKSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c2ccccc21 ZINC000404437235 434516407 /nfs/dbraw/zinc/51/64/07/434516407.db2.gz RWEKDNNNOMSSJX-PBHICJAKSA-N 2 1 300.450 3.006 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000360150717 434533780 /nfs/dbraw/zinc/53/37/80/434533780.db2.gz SGLQURSJTNWJKX-GXTWGEPZSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000360150717 434533788 /nfs/dbraw/zinc/53/37/88/434533788.db2.gz SGLQURSJTNWJKX-GXTWGEPZSA-N 2 1 316.367 3.058 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000451058438 434549897 /nfs/dbraw/zinc/54/98/97/434549897.db2.gz VOWSIHJZRSSLTJ-IEBWSBKVSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000451058438 434549900 /nfs/dbraw/zinc/54/99/00/434549900.db2.gz VOWSIHJZRSSLTJ-IEBWSBKVSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000451058438 434549902 /nfs/dbraw/zinc/54/99/02/434549902.db2.gz VOWSIHJZRSSLTJ-IEBWSBKVSA-N 2 1 307.526 3.056 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970385 434551315 /nfs/dbraw/zinc/55/13/15/434551315.db2.gz DGNOOJCHBVCDKB-WBVHZDCISA-N 2 1 320.477 3.099 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970385 434551323 /nfs/dbraw/zinc/55/13/23/434551323.db2.gz DGNOOJCHBVCDKB-WBVHZDCISA-N 2 1 320.477 3.099 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353987474 434558345 /nfs/dbraw/zinc/55/83/45/434558345.db2.gz OZVZVXPKUKOJCJ-UYSNPLJNSA-N 2 1 320.481 3.122 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353987474 434558350 /nfs/dbraw/zinc/55/83/50/434558350.db2.gz OZVZVXPKUKOJCJ-UYSNPLJNSA-N 2 1 320.481 3.122 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000525274935 295008910 /nfs/dbraw/zinc/00/89/10/295008910.db2.gz UDEBUCMFGOXYLG-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000525274935 295008914 /nfs/dbraw/zinc/00/89/14/295008914.db2.gz UDEBUCMFGOXYLG-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360267423 434563078 /nfs/dbraw/zinc/56/30/78/434563078.db2.gz WIKHNWKFOMXYDI-CQSZACIVSA-N 2 1 319.836 3.248 20 0 DGADMP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360267423 434563085 /nfs/dbraw/zinc/56/30/85/434563085.db2.gz WIKHNWKFOMXYDI-CQSZACIVSA-N 2 1 319.836 3.248 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C2CC2)cc1 ZINC000459368003 434570725 /nfs/dbraw/zinc/57/07/25/434570725.db2.gz VXKHYYOQOLMYLF-HSALFYBXSA-N 2 1 314.473 3.248 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(C)c1 ZINC000459379449 434572658 /nfs/dbraw/zinc/57/26/58/434572658.db2.gz AGAXTSQCAOVLRA-SFHVURJKSA-N 2 1 302.462 3.369 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414855899 295138228 /nfs/dbraw/zinc/13/82/28/295138228.db2.gz XVGCIDDMPUOJBI-PBHICJAKSA-N 2 1 320.477 3.132 20 0 DGADMP CC(C)c1cccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000527891540 295146081 /nfs/dbraw/zinc/14/60/81/295146081.db2.gz BIPMYDUJZZUJHT-KRWDZBQOSA-N 2 1 317.521 3.487 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527994476 295161499 /nfs/dbraw/zinc/16/14/99/295161499.db2.gz HYJZNZQVAIHQDJ-SWLSCSKDSA-N 2 1 303.425 3.230 20 0 DGADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527997581 295162605 /nfs/dbraw/zinc/16/26/05/295162605.db2.gz IKMAXPJAZRIIIA-NBYUQASBSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459473518 434586651 /nfs/dbraw/zinc/58/66/51/434586651.db2.gz WYHBUKOGJDNWPF-FZKQIMNGSA-N 2 1 306.425 3.118 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000481053965 295357691 /nfs/dbraw/zinc/35/76/91/295357691.db2.gz QVYQBIIISPPTND-FUHWJXTLSA-N 2 1 316.489 3.437 20 0 DGADMP COCCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459523687 434594605 /nfs/dbraw/zinc/59/46/05/434594605.db2.gz JIULRKJFZPCTCS-IBGZPJMESA-N 2 1 316.489 3.241 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000360604314 434645125 /nfs/dbraw/zinc/64/51/25/434645125.db2.gz KLEJLYWCYIMJTF-GUDVDZBRSA-N 2 1 302.462 3.059 20 0 DGADMP c1csc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)c1 ZINC000459578074 434617814 /nfs/dbraw/zinc/61/78/14/434617814.db2.gz WUYHZCZKXXJRBJ-GDBMZVCRSA-N 2 1 306.475 3.185 20 0 DGADMP C[N@@H+](CCCc1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000360491557 434620363 /nfs/dbraw/zinc/62/03/63/434620363.db2.gz RBWSUMLPOMXNRU-UHFFFAOYSA-N 2 1 324.472 3.258 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000354105680 434621801 /nfs/dbraw/zinc/62/18/01/434621801.db2.gz DLIUJJBNTAGWDU-MRXNPFEDSA-N 2 1 310.869 3.273 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cc(F)cc(F)c1 ZINC000459542572 434601198 /nfs/dbraw/zinc/60/11/98/434601198.db2.gz KJULDEGTTZYDRB-UHFFFAOYSA-N 2 1 324.415 3.339 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000354078655 434606004 /nfs/dbraw/zinc/60/60/04/434606004.db2.gz VVPCJFCPAYPCNF-QGZVFWFLSA-N 2 1 308.441 3.067 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000349373150 434696796 /nfs/dbraw/zinc/69/67/96/434696796.db2.gz WIMGQXLNHKFDBS-UHFFFAOYSA-N 2 1 304.463 3.438 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000349373150 434696801 /nfs/dbraw/zinc/69/68/01/434696801.db2.gz WIMGQXLNHKFDBS-UHFFFAOYSA-N 2 1 304.463 3.438 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349381741 434697559 /nfs/dbraw/zinc/69/75/59/434697559.db2.gz QZGOQSCKUHBUBW-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360617133 434648321 /nfs/dbraw/zinc/64/83/21/434648321.db2.gz VSGZBJJAIWREFE-OAGGEKHMSA-N 2 1 312.461 3.100 20 0 DGADMP CC(C)CCn1cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354176407 434656894 /nfs/dbraw/zinc/65/68/94/434656894.db2.gz KNZSTMKGOQOLAR-IBGZPJMESA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354176407 434656897 /nfs/dbraw/zinc/65/68/97/434656897.db2.gz KNZSTMKGOQOLAR-IBGZPJMESA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354176407 434656900 /nfs/dbraw/zinc/65/69/00/434656900.db2.gz KNZSTMKGOQOLAR-IBGZPJMESA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354176407 434656903 /nfs/dbraw/zinc/65/69/03/434656903.db2.gz KNZSTMKGOQOLAR-IBGZPJMESA-N 2 1 303.494 3.452 20 0 DGADMP Cc1ccccc1CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371302168 434665071 /nfs/dbraw/zinc/66/50/71/434665071.db2.gz XTTZLYMDUCRWGQ-XUVXKRRUSA-N 2 1 316.489 3.111 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219868 434673761 /nfs/dbraw/zinc/67/37/61/434673761.db2.gz FRWOVNWYKKYRAA-FUHWJXTLSA-N 2 1 317.477 3.047 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226053 434676212 /nfs/dbraw/zinc/67/62/12/434676212.db2.gz UYPCEFQUDFXYCJ-GDBMZVCRSA-N 2 1 312.461 3.243 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1coc(-c3cccs3)n1)CC[NH2+]CC2 ZINC000424282811 434676662 /nfs/dbraw/zinc/67/66/62/434676662.db2.gz AQLPZQPLKVJMKC-ZDUSSCGKSA-N 2 1 317.458 3.367 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000459724328 434677715 /nfs/dbraw/zinc/67/77/15/434677715.db2.gz ANMVREDDTSKKKB-ZHALLVOQSA-N 2 1 301.478 3.429 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224718 434678673 /nfs/dbraw/zinc/67/86/73/434678673.db2.gz OWDVPRGCKQPMTA-NVXWUHKLSA-N 2 1 318.461 3.073 20 0 DGADMP CCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459730519 434678761 /nfs/dbraw/zinc/67/87/61/434678761.db2.gz KMENTHIRAVMYEN-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459730020 434681519 /nfs/dbraw/zinc/68/15/19/434681519.db2.gz JRKNRVOIGGPFNN-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459733203 434684958 /nfs/dbraw/zinc/68/49/58/434684958.db2.gz GLQIRIVXURVZSO-WBVHZDCISA-N 2 1 318.461 3.058 20 0 DGADMP Cc1csc(C(C)(C)[NH2+]C[C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424306428 434687337 /nfs/dbraw/zinc/68/73/37/434687337.db2.gz VFWVKHBQRUERAM-CYBMUJFWSA-N 2 1 307.438 3.158 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459743113 434690991 /nfs/dbraw/zinc/69/09/91/434690991.db2.gz WEXFEFGKNHSGQI-IAGOWNOFSA-N 2 1 317.477 3.034 20 0 DGADMP Cc1cc(NCc2ncc(C[NH+](C)C)s2)ccc1C[NH+](C)C ZINC000459758127 434701109 /nfs/dbraw/zinc/70/11/09/434701109.db2.gz LFMLYJRIPSOGHD-UHFFFAOYSA-N 2 1 318.490 3.187 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)cs1 ZINC000424368757 434714370 /nfs/dbraw/zinc/71/43/70/434714370.db2.gz AIYPSVOVDAFUFG-FBIMIBRVSA-N 2 1 303.269 3.431 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3ccc(F)cc3s1)CC[NH2+]CC2 ZINC000424388044 434716314 /nfs/dbraw/zinc/71/63/14/434716314.db2.gz ZAVHGAFGQZQGON-GFCCVEGCSA-N 2 1 319.449 3.399 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459791103 434720866 /nfs/dbraw/zinc/72/08/66/434720866.db2.gz HLEHVZCOKVAYQH-FVQBIDKESA-N 2 1 307.482 3.399 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285643 434755816 /nfs/dbraw/zinc/75/58/16/434755816.db2.gz VJSRZJJMIAYHPW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285643 434755819 /nfs/dbraw/zinc/75/58/19/434755819.db2.gz VJSRZJJMIAYHPW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000411285643 434755824 /nfs/dbraw/zinc/75/58/24/434755824.db2.gz VJSRZJJMIAYHPW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cncs2)C1 ZINC000411285643 434755830 /nfs/dbraw/zinc/75/58/30/434755830.db2.gz VJSRZJJMIAYHPW-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411272429 434755847 /nfs/dbraw/zinc/75/58/47/434755847.db2.gz STAXETHSTKUZGG-FQEVSTJZSA-N 3 1 315.505 3.056 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411272429 434755852 /nfs/dbraw/zinc/75/58/52/434755852.db2.gz STAXETHSTKUZGG-FQEVSTJZSA-N 3 1 315.505 3.056 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285640 434755977 /nfs/dbraw/zinc/75/59/77/434755977.db2.gz VJSRZJJMIAYHPW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285640 434755980 /nfs/dbraw/zinc/75/59/80/434755980.db2.gz VJSRZJJMIAYHPW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000411285640 434755983 /nfs/dbraw/zinc/75/59/83/434755983.db2.gz VJSRZJJMIAYHPW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cncs2)C1 ZINC000411285640 434755984 /nfs/dbraw/zinc/75/59/84/434755984.db2.gz VJSRZJJMIAYHPW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371848076 434759453 /nfs/dbraw/zinc/75/94/53/434759453.db2.gz XSGLSPPEGRLQJD-RTBURBONSA-N 2 1 309.542 3.303 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC000419270080 434760676 /nfs/dbraw/zinc/76/06/76/434760676.db2.gz CRIOQYJOOVYZBU-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC000419270080 434760678 /nfs/dbraw/zinc/76/06/78/434760678.db2.gz CRIOQYJOOVYZBU-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H](CC(C)C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419286587 434762859 /nfs/dbraw/zinc/76/28/59/434762859.db2.gz FQKIECFWFVUSJQ-SFHVURJKSA-N 2 1 319.493 3.460 20 0 DGADMP C[C@H]1OCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000411329212 434762909 /nfs/dbraw/zinc/76/29/09/434762909.db2.gz QUGOYQVIKMGWHV-DLBZAZTESA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441361775 434764601 /nfs/dbraw/zinc/76/46/01/434764601.db2.gz UHZRNIKEIKFPGW-ROUUACIJSA-N 2 1 309.542 3.207 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]C2CCC(C(C)(C)C)CC2)CC1(C)C ZINC000441387838 434765771 /nfs/dbraw/zinc/76/57/71/434765771.db2.gz WJIQMYGNOVHRJJ-UHFFFAOYSA-N 2 1 309.542 3.207 20 0 DGADMP C[C@@H]1COCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411400969 434772487 /nfs/dbraw/zinc/77/24/87/434772487.db2.gz LKAUTRYYACOVDL-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1)CC1CC1 ZINC000411429813 434778015 /nfs/dbraw/zinc/77/80/15/434778015.db2.gz MZBOCAUMXXVKOT-CQSZACIVSA-N 2 1 319.497 3.008 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1)CC1CC1 ZINC000411429813 434778022 /nfs/dbraw/zinc/77/80/22/434778022.db2.gz MZBOCAUMXXVKOT-CQSZACIVSA-N 2 1 319.497 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000453056596 434787010 /nfs/dbraw/zinc/78/70/10/434787010.db2.gz GHSUEXAQABXGRY-VVLHAWIVSA-N 2 1 304.482 3.237 20 0 DGADMP CCn1ccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453064857 434787851 /nfs/dbraw/zinc/78/78/51/434787851.db2.gz UPOITSCWMHCDTH-IXDOHACOSA-N 2 1 306.498 3.312 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000453105417 434802206 /nfs/dbraw/zinc/80/22/06/434802206.db2.gz BSFRENVSFDIFAE-GJZGRUSLSA-N 2 1 308.491 3.208 20 0 DGADMP CC[C@@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411566357 434803102 /nfs/dbraw/zinc/80/31/02/434803102.db2.gz GRLMUEXQDWJUTE-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000453105085 434803266 /nfs/dbraw/zinc/80/32/66/434803266.db2.gz GPOHPVTTZUNDLY-HNNXBMFYSA-N 2 1 300.450 3.206 20 0 DGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000453105085 434803271 /nfs/dbraw/zinc/80/32/71/434803271.db2.gz GPOHPVTTZUNDLY-HNNXBMFYSA-N 2 1 300.450 3.206 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414685642 297396353 /nfs/dbraw/zinc/39/63/53/297396353.db2.gz DCJOEZAXCZEEQZ-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000453070078 434791081 /nfs/dbraw/zinc/79/10/81/434791081.db2.gz ZVCUDPSEACTXNH-QZTJIDSGSA-N 2 1 306.498 3.152 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453069294 434791481 /nfs/dbraw/zinc/79/14/81/434791481.db2.gz LVLJXIBBXOSRJP-MDNKFWRPSA-N 2 1 316.489 3.302 20 0 DGADMP c1cn2c(n1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CC2 ZINC000453081615 434794226 /nfs/dbraw/zinc/79/42/26/434794226.db2.gz GDBJEMIHONGBPT-LJQANCHMSA-N 2 1 324.472 3.494 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000453088463 434796465 /nfs/dbraw/zinc/79/64/65/434796465.db2.gz QQJLOCAGXFNYJJ-FCEWJHQRSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccsc1 ZINC000453115222 434805435 /nfs/dbraw/zinc/80/54/35/434805435.db2.gz WSZFLXNUOIIBQF-QGZVFWFLSA-N 2 1 309.523 3.062 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1O ZINC000411607725 434806345 /nfs/dbraw/zinc/80/63/45/434806345.db2.gz JYCZZZIKNNAWHI-LJQANCHMSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000453119855 434806828 /nfs/dbraw/zinc/80/68/28/434806828.db2.gz LDEORIHRAZKCPW-IAGOWNOFSA-N 2 1 324.472 3.223 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453120353 434807050 /nfs/dbraw/zinc/80/70/50/434807050.db2.gz WREFOMYJSXSQRR-BFYDXBDKSA-N 2 1 322.518 3.369 20 0 DGADMP C[C@@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411658364 434812618 /nfs/dbraw/zinc/81/26/18/434812618.db2.gz LPNUWFANXOETEM-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060701 434863226 /nfs/dbraw/zinc/86/32/26/434863226.db2.gz GQPDEBQIPZZARJ-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060701 434863227 /nfs/dbraw/zinc/86/32/27/434863227.db2.gz GQPDEBQIPZZARJ-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060701 434863228 /nfs/dbraw/zinc/86/32/28/434863228.db2.gz GQPDEBQIPZZARJ-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP Cc1nc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[nH]c1C ZINC000573220867 434883045 /nfs/dbraw/zinc/88/30/45/434883045.db2.gz RFDJXQKRNJQBME-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP Cc1nc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[nH]c1C ZINC000573220867 434883048 /nfs/dbraw/zinc/88/30/48/434883048.db2.gz RFDJXQKRNJQBME-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP Cc1[nH+]c2ccccc2c(NCc2c[nH+]c3n2CCCC3)c1C ZINC000553253062 434883672 /nfs/dbraw/zinc/88/36/72/434883672.db2.gz SDAODVHILKKGFG-UHFFFAOYSA-N 2 1 306.413 3.418 20 0 DGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000521629857 434890563 /nfs/dbraw/zinc/89/05/63/434890563.db2.gz TTWHYVNDNBIESW-IYBDPMFKSA-N 2 1 315.461 3.127 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000573101963 434874221 /nfs/dbraw/zinc/87/42/21/434874221.db2.gz QFRVDENKNSITNW-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCCCCC1 ZINC000554628713 434939660 /nfs/dbraw/zinc/93/96/60/434939660.db2.gz VCPZELSKFPMDHK-FQEVSTJZSA-N 2 1 316.489 3.456 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724576 434945016 /nfs/dbraw/zinc/94/50/16/434945016.db2.gz LWSDCLJITLZZRQ-XWPNQZOQSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724576 434945020 /nfs/dbraw/zinc/94/50/20/434945020.db2.gz LWSDCLJITLZZRQ-XWPNQZOQSA-N 2 1 314.473 3.186 20 0 DGADMP Cc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)on1 ZINC000574120312 434951763 /nfs/dbraw/zinc/95/17/63/434951763.db2.gz KGHKGXKGKOGXCS-OAHLLOKOSA-N 2 1 319.474 3.307 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC000638104349 434952657 /nfs/dbraw/zinc/95/26/57/434952657.db2.gz HRRCPCWFZCDGLI-QGZVFWFLSA-N 2 1 310.445 3.080 20 0 DGADMP c1cnc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC000638104349 434952662 /nfs/dbraw/zinc/95/26/62/434952662.db2.gz HRRCPCWFZCDGLI-QGZVFWFLSA-N 2 1 310.445 3.080 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638116645 434958811 /nfs/dbraw/zinc/95/88/11/434958811.db2.gz FOFCTOOBMFJQFB-RBUKOAKNSA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638116645 434958814 /nfs/dbraw/zinc/95/88/14/434958814.db2.gz FOFCTOOBMFJQFB-RBUKOAKNSA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638116645 434958818 /nfs/dbraw/zinc/95/88/18/434958818.db2.gz FOFCTOOBMFJQFB-RBUKOAKNSA-N 2 1 315.505 3.319 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798672 434930022 /nfs/dbraw/zinc/93/00/22/434930022.db2.gz MDAVNXSZANDSMY-YOEHRIQHSA-N 2 1 318.461 3.072 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccns1 ZINC000638373710 435015574 /nfs/dbraw/zinc/01/55/74/435015574.db2.gz IDXJZXKHRWAMLP-UHFFFAOYSA-N 2 1 319.474 3.154 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1F ZINC000638376361 435018055 /nfs/dbraw/zinc/01/80/55/435018055.db2.gz JVUPPUTUNSDSJV-HIFRSBDPSA-N 2 1 317.383 3.229 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1F ZINC000638376361 435018059 /nfs/dbraw/zinc/01/80/59/435018059.db2.gz JVUPPUTUNSDSJV-HIFRSBDPSA-N 2 1 317.383 3.229 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638410270 435026070 /nfs/dbraw/zinc/02/60/70/435026070.db2.gz YYLPOSNOWUMZAL-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638410270 435026073 /nfs/dbraw/zinc/02/60/73/435026073.db2.gz YYLPOSNOWUMZAL-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000574510719 434983306 /nfs/dbraw/zinc/98/33/06/434983306.db2.gz YSVPMFRMZJEUQK-CQSZACIVSA-N 2 1 315.383 3.456 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CCC3CCOCC3)C2)c1 ZINC000638447335 435032796 /nfs/dbraw/zinc/03/27/96/435032796.db2.gz IHKFOHLHGIDMBL-KRWDZBQOSA-N 2 1 322.518 3.366 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CCC3CCOCC3)C2)c1 ZINC000638447335 435032801 /nfs/dbraw/zinc/03/28/01/435032801.db2.gz IHKFOHLHGIDMBL-KRWDZBQOSA-N 2 1 322.518 3.366 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000524971555 435000317 /nfs/dbraw/zinc/00/03/17/435000317.db2.gz QCOTUFLGHMSPEJ-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638449132 435033320 /nfs/dbraw/zinc/03/33/20/435033320.db2.gz NDNIIXHHMIGCQG-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP CC(C)O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000638358817 435012283 /nfs/dbraw/zinc/01/22/83/435012283.db2.gz KLUNBGXGTZRMDM-VQIMIIECSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOC1 ZINC000638614110 435059728 /nfs/dbraw/zinc/05/97/28/435059728.db2.gz QLLFMMXZWOJLSI-YSIASYRMSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOC1 ZINC000638614110 435059731 /nfs/dbraw/zinc/05/97/31/435059731.db2.gz QLLFMMXZWOJLSI-YSIASYRMSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000638676701 435067179 /nfs/dbraw/zinc/06/71/79/435067179.db2.gz PZFDVKYDSRNRAH-VQIMIIECSA-N 2 1 310.445 3.176 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000638676701 435067185 /nfs/dbraw/zinc/06/71/85/435067185.db2.gz PZFDVKYDSRNRAH-VQIMIIECSA-N 2 1 310.445 3.176 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cc(C)ccc2C)C[C@@H]1C ZINC000531140116 435074449 /nfs/dbraw/zinc/07/44/49/435074449.db2.gz MVEKSGVDPDGUFR-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cc(C)ccc2C)C[C@@H]1C ZINC000531140116 435074452 /nfs/dbraw/zinc/07/44/52/435074452.db2.gz MVEKSGVDPDGUFR-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638702845 435075326 /nfs/dbraw/zinc/07/53/26/435075326.db2.gz SXLOSPQNCHFBGT-SJLPKXTDSA-N 2 1 302.462 3.369 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638702845 435075332 /nfs/dbraw/zinc/07/53/32/435075332.db2.gz SXLOSPQNCHFBGT-SJLPKXTDSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765968 435086550 /nfs/dbraw/zinc/08/65/50/435086550.db2.gz MSRZSCCPWAPEQF-NZSAHSFTSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765968 435086553 /nfs/dbraw/zinc/08/65/53/435086553.db2.gz MSRZSCCPWAPEQF-NZSAHSFTSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000558419608 435088940 /nfs/dbraw/zinc/08/89/40/435088940.db2.gz RYRVIDSOGABLDQ-ZWKOTPCHSA-N 2 1 309.542 3.161 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000556884659 435034460 /nfs/dbraw/zinc/03/44/60/435034460.db2.gz LROXVACSOPPWFC-BPQIPLTHSA-N 2 1 324.415 3.339 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638451986 435035139 /nfs/dbraw/zinc/03/51/39/435035139.db2.gz SQVKHJBOXPYVPP-ICSRJNTNSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638451986 435035144 /nfs/dbraw/zinc/03/51/44/435035144.db2.gz SQVKHJBOXPYVPP-ICSRJNTNSA-N 3 1 315.505 3.286 20 0 DGADMP CO[C@H](C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638797723 435089796 /nfs/dbraw/zinc/08/97/96/435089796.db2.gz VNBCLMXOIQZYCC-YVWKXTFCSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000638521236 435045838 /nfs/dbraw/zinc/04/58/38/435045838.db2.gz CEPPBQYAFIQYFB-XIRDDKMYSA-N 2 1 308.416 3.184 20 0 DGADMP Cc1cnc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797368 435090363 /nfs/dbraw/zinc/09/03/63/435090363.db2.gz QFTVOAQURWDYNO-MAUKXSAKSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000638797368 435090368 /nfs/dbraw/zinc/09/03/68/435090368.db2.gz QFTVOAQURWDYNO-MAUKXSAKSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797368 435090370 /nfs/dbraw/zinc/09/03/70/435090370.db2.gz QFTVOAQURWDYNO-MAUKXSAKSA-N 2 1 313.445 3.373 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638588483 435056464 /nfs/dbraw/zinc/05/64/64/435056464.db2.gz LWGHNYKQSJJMAT-SNVBAGLBSA-N 2 1 302.249 3.007 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638588483 435056468 /nfs/dbraw/zinc/05/64/68/435056468.db2.gz LWGHNYKQSJJMAT-SNVBAGLBSA-N 2 1 302.249 3.007 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000532187240 435146652 /nfs/dbraw/zinc/14/66/52/435146652.db2.gz UEZLOPDURKUKIL-BBRMVZONSA-N 2 1 312.404 3.150 20 0 DGADMP COCC[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578540259 435091685 /nfs/dbraw/zinc/09/16/85/435091685.db2.gz UCBGIQNITIFXFA-UHFFFAOYSA-N 2 1 324.468 3.023 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000578617058 435096896 /nfs/dbraw/zinc/09/68/96/435096896.db2.gz OXKDDIPDMQBWNS-ZDUSSCGKSA-N 2 1 301.356 3.067 20 0 DGADMP CCCCO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762098 435106863 /nfs/dbraw/zinc/10/68/63/435106863.db2.gz ZDLJATASPHPJGL-SJORKVTESA-N 2 1 307.482 3.268 20 0 DGADMP CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762098 435106867 /nfs/dbraw/zinc/10/68/67/435106867.db2.gz ZDLJATASPHPJGL-SJORKVTESA-N 2 1 307.482 3.268 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000467401396 435119687 /nfs/dbraw/zinc/11/96/87/435119687.db2.gz ZFOBZRVZQNYASM-SWLSCSKDSA-N 2 1 300.368 3.444 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969452 435123896 /nfs/dbraw/zinc/12/38/96/435123896.db2.gz HAYRLBKXSSYEHL-UKRRQHHQSA-N 2 1 305.441 3.151 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969452 435123897 /nfs/dbraw/zinc/12/38/97/435123897.db2.gz HAYRLBKXSSYEHL-UKRRQHHQSA-N 2 1 305.441 3.151 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000531944714 435129772 /nfs/dbraw/zinc/12/97/72/435129772.db2.gz BQXIHUZAEYYMOC-LJQANCHMSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400275 435130980 /nfs/dbraw/zinc/13/09/80/435130980.db2.gz GFNNVILULCFTLG-NVXWUHKLSA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400275 435130983 /nfs/dbraw/zinc/13/09/83/435130983.db2.gz GFNNVILULCFTLG-NVXWUHKLSA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400275 435130987 /nfs/dbraw/zinc/13/09/87/435130987.db2.gz GFNNVILULCFTLG-NVXWUHKLSA-N 2 1 308.853 3.277 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000579110749 435132487 /nfs/dbraw/zinc/13/24/87/435132487.db2.gz IEFWCBYUBXCSDP-KRWDZBQOSA-N 2 1 317.477 3.259 20 0 DGADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639055942 435138264 /nfs/dbraw/zinc/13/82/64/435138264.db2.gz DTILVIRFSGCVNM-IZBZVSGTSA-N 2 1 314.473 3.271 20 0 DGADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639055942 435138267 /nfs/dbraw/zinc/13/82/67/435138267.db2.gz DTILVIRFSGCVNM-IZBZVSGTSA-N 2 1 314.473 3.271 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639064852 435142410 /nfs/dbraw/zinc/14/24/10/435142410.db2.gz DKJOADHIXMBBFT-AEFFLSMTSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639064852 435142414 /nfs/dbraw/zinc/14/24/14/435142414.db2.gz DKJOADHIXMBBFT-AEFFLSMTSA-N 2 1 302.462 3.105 20 0 DGADMP OCCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639074851 435145088 /nfs/dbraw/zinc/14/50/88/435145088.db2.gz CTHFCLIPQZLAFT-MJGOQNOKSA-N 2 1 314.473 3.107 20 0 DGADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639074851 435145093 /nfs/dbraw/zinc/14/50/93/435145093.db2.gz CTHFCLIPQZLAFT-MJGOQNOKSA-N 2 1 314.473 3.107 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000532187242 435145686 /nfs/dbraw/zinc/14/56/86/435145686.db2.gz UEZLOPDURKUKIL-CZUORRHYSA-N 2 1 312.404 3.150 20 0 DGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639074426 435145723 /nfs/dbraw/zinc/14/57/23/435145723.db2.gz PDFNWOMMXLZASG-IEZWGBDMSA-N 2 1 302.462 3.369 20 0 DGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639074426 435145724 /nfs/dbraw/zinc/14/57/24/435145724.db2.gz PDFNWOMMXLZASG-IEZWGBDMSA-N 2 1 302.462 3.369 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639177300 435184253 /nfs/dbraw/zinc/18/42/53/435184253.db2.gz RKLRLRFONUGQRO-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475286588 435187839 /nfs/dbraw/zinc/18/78/39/435187839.db2.gz QXKWUJSPGUBEJN-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)(C)OC1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475284765 435188384 /nfs/dbraw/zinc/18/83/84/435188384.db2.gz KUVPXLOHWFBVLS-LMDPOFIKSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3=CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639182678 435189792 /nfs/dbraw/zinc/18/97/92/435189792.db2.gz MEZGMFJKJXSHPF-AZUAARDMSA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3=CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639182678 435189797 /nfs/dbraw/zinc/18/97/97/435189797.db2.gz MEZGMFJKJXSHPF-AZUAARDMSA-N 2 1 312.457 3.291 20 0 DGADMP Cc1cnc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000639195215 435193319 /nfs/dbraw/zinc/19/33/19/435193319.db2.gz RREUIBFKUBWWNX-SFHVURJKSA-N 2 1 313.445 3.375 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000639209194 435199358 /nfs/dbraw/zinc/19/93/58/435199358.db2.gz OTMJXVOUOMAZRF-WDSOQIARSA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000639209194 435199361 /nfs/dbraw/zinc/19/93/61/435199361.db2.gz OTMJXVOUOMAZRF-WDSOQIARSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639212924 435200692 /nfs/dbraw/zinc/20/06/92/435200692.db2.gz DDYKMSILLSCTQU-HQRMLTQVSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639212924 435200695 /nfs/dbraw/zinc/20/06/95/435200695.db2.gz DDYKMSILLSCTQU-HQRMLTQVSA-N 2 1 316.489 3.353 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN(C)c2ccccc2)C[C@H]1C ZINC000580068497 435202650 /nfs/dbraw/zinc/20/26/50/435202650.db2.gz KLVKXKOKHCMQDQ-IEBWSBKVSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN(C)c2ccccc2)C[C@H]1C ZINC000580068497 435202653 /nfs/dbraw/zinc/20/26/53/435202653.db2.gz KLVKXKOKHCMQDQ-IEBWSBKVSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN(C)c2ccccc2)C[C@H]1C ZINC000580068497 435202657 /nfs/dbraw/zinc/20/26/57/435202657.db2.gz KLVKXKOKHCMQDQ-IEBWSBKVSA-N 2 1 303.494 3.318 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@H]([NH+](C)C)CC1)CC2 ZINC000639105114 435155286 /nfs/dbraw/zinc/15/52/86/435155286.db2.gz RQJCKFNPSVOMSR-RDJZCZTQSA-N 2 1 318.461 3.107 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@H]([NH+](C)C)CC1)CC2 ZINC000639105114 435155289 /nfs/dbraw/zinc/15/52/89/435155289.db2.gz RQJCKFNPSVOMSR-RDJZCZTQSA-N 2 1 318.461 3.107 20 0 DGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000579494577 435159594 /nfs/dbraw/zinc/15/95/94/435159594.db2.gz SMSDROSFWJSHOA-AABGKKOBSA-N 2 1 317.521 3.347 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117201 435161425 /nfs/dbraw/zinc/16/14/25/435161425.db2.gz FXPGDPNYJMHETM-LQJIQPLVSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117201 435161428 /nfs/dbraw/zinc/16/14/28/435161428.db2.gz FXPGDPNYJMHETM-LQJIQPLVSA-N 2 1 314.473 3.369 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591842 435167484 /nfs/dbraw/zinc/16/74/84/435167484.db2.gz QGEAHQYEGQQQDE-RTBURBONSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591842 435167486 /nfs/dbraw/zinc/16/74/86/435167486.db2.gz QGEAHQYEGQQQDE-RTBURBONSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000532524385 435173085 /nfs/dbraw/zinc/17/30/85/435173085.db2.gz CJZURLFTXORJIS-ZOBUZTSGSA-N 2 1 317.477 3.093 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000532524385 435173089 /nfs/dbraw/zinc/17/30/89/435173089.db2.gz CJZURLFTXORJIS-ZOBUZTSGSA-N 2 1 317.477 3.093 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532525438 435174235 /nfs/dbraw/zinc/17/42/35/435174235.db2.gz WLIBPFHFVFXBFC-WWGRRREGSA-N 2 1 323.868 3.129 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532525438 435174236 /nfs/dbraw/zinc/17/42/36/435174236.db2.gz WLIBPFHFVFXBFC-WWGRRREGSA-N 2 1 323.868 3.129 20 0 DGADMP CCOCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560532147 435175078 /nfs/dbraw/zinc/17/50/78/435175078.db2.gz OYESBHNXLKYCQZ-VAMGGRTRSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCC[C@@H]4CCO4)C3)C2)cc1 ZINC000639162479 435179524 /nfs/dbraw/zinc/17/95/24/435179524.db2.gz SGFNHXRSINLGEU-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCC[C@@H]4CCO4)C3)C2)cc1 ZINC000639162479 435179528 /nfs/dbraw/zinc/17/95/28/435179528.db2.gz SGFNHXRSINLGEU-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCC[C@@H]4CCO4)C3)C2)cc1 ZINC000639162479 435179532 /nfs/dbraw/zinc/17/95/32/435179532.db2.gz SGFNHXRSINLGEU-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000639169917 435182036 /nfs/dbraw/zinc/18/20/36/435182036.db2.gz MWKFTOQUPDWWGF-WMLDXEAASA-N 2 1 318.461 3.011 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000580350812 435225791 /nfs/dbraw/zinc/22/57/91/435225791.db2.gz DZSFOOLAMGUYON-QRVBRYPASA-N 2 1 318.505 3.455 20 0 DGADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000580350812 435225793 /nfs/dbraw/zinc/22/57/93/435225793.db2.gz DZSFOOLAMGUYON-QRVBRYPASA-N 2 1 318.505 3.455 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639240331 435211135 /nfs/dbraw/zinc/21/11/35/435211135.db2.gz OSEUWIOTGFCJKD-QGZVKYPTSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639240331 435211137 /nfs/dbraw/zinc/21/11/37/435211137.db2.gz OSEUWIOTGFCJKD-QGZVKYPTSA-N 2 1 314.473 3.105 20 0 DGADMP C[NH+]1CCN([C@@H](C[NH2+]CC2CCCCC2)c2cccs2)CC1 ZINC000533106330 435211578 /nfs/dbraw/zinc/21/15/78/435211578.db2.gz DAZUWYHZTMAVNI-KRWDZBQOSA-N 2 1 321.534 3.207 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1F ZINC000639293693 435232702 /nfs/dbraw/zinc/23/27/02/435232702.db2.gz HQPAUHWWQNWXAU-KRWDZBQOSA-N 2 1 308.441 3.102 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1F ZINC000639312424 435240413 /nfs/dbraw/zinc/24/04/13/435240413.db2.gz YJEZRTLBEGJVMJ-GOSISDBHSA-N 2 1 322.468 3.348 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000583945081 435258209 /nfs/dbraw/zinc/25/82/09/435258209.db2.gz GYHDROWYXOANAA-ZJUUUORDSA-N 2 1 308.294 3.343 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000534064524 435265271 /nfs/dbraw/zinc/26/52/71/435265271.db2.gz TVIJBCGTILBDPI-ZWJWXYIHSA-N 2 1 320.521 3.292 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000639375857 435273789 /nfs/dbraw/zinc/27/37/89/435273789.db2.gz HYIVBHOYNURWLY-UHFFFAOYSA-N 2 1 312.461 3.403 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648377002 435279166 /nfs/dbraw/zinc/27/91/66/435279166.db2.gz VPFYGGXXPUEUPN-SMDDNHRTSA-N 2 1 307.825 3.396 20 0 DGADMP Cc1cccn2c(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cnc12 ZINC000534347171 435282902 /nfs/dbraw/zinc/28/29/02/435282902.db2.gz PONYAWNOFHNGGI-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534974485 435307356 /nfs/dbraw/zinc/30/73/56/435307356.db2.gz RKWLCMNUARCQMP-GOSISDBHSA-N 2 1 322.880 3.154 20 0 DGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643032855 435263362 /nfs/dbraw/zinc/26/33/62/435263362.db2.gz IKODYAWJADMQOE-XHDPSFHLSA-N 2 1 321.346 3.442 20 0 DGADMP COc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509839 435324994 /nfs/dbraw/zinc/32/49/94/435324994.db2.gz ODUOOGNWSAVXDY-GOEBONIOSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509839 435324998 /nfs/dbraw/zinc/32/49/98/435324998.db2.gz ODUOOGNWSAVXDY-GOEBONIOSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509839 435325000 /nfs/dbraw/zinc/32/50/00/435325000.db2.gz ODUOOGNWSAVXDY-GOEBONIOSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509839 435325002 /nfs/dbraw/zinc/32/50/02/435325002.db2.gz ODUOOGNWSAVXDY-GOEBONIOSA-N 2 1 313.445 3.158 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457588 435330004 /nfs/dbraw/zinc/33/00/04/435330004.db2.gz PANDZEBCMBRJMO-FUHWJXTLSA-N 2 1 324.472 3.057 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs2)cc1 ZINC000643458849 435331045 /nfs/dbraw/zinc/33/10/45/435331045.db2.gz DTHKNGXYMOTDLI-NEPJUHHUSA-N 2 1 305.447 3.034 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccn21 ZINC000567594998 435333654 /nfs/dbraw/zinc/33/36/54/435333654.db2.gz OOMFGPBGXLGPFQ-DOTOQJQBSA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccn21 ZINC000567594998 435333658 /nfs/dbraw/zinc/33/36/58/435333658.db2.gz OOMFGPBGXLGPFQ-DOTOQJQBSA-N 2 1 314.477 3.230 20 0 DGADMP C[C@H]1OCC[C@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530639 435334244 /nfs/dbraw/zinc/33/42/44/435334244.db2.gz FZXRKMSJKWOVSR-AEFFLSMTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1OCC[C@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530639 435334246 /nfs/dbraw/zinc/33/42/46/435334246.db2.gz FZXRKMSJKWOVSR-AEFFLSMTSA-N 2 1 302.462 3.008 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2C(C)(C)C2(C)C)[C@H](C)C1 ZINC000479544190 435337417 /nfs/dbraw/zinc/33/74/17/435337417.db2.gz MNLRNMMNRAEEDA-CVEARBPZSA-N 2 1 310.526 3.395 20 0 DGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[NH2+]C(C)C)CCC2 ZINC000567639453 435338241 /nfs/dbraw/zinc/33/82/41/435338241.db2.gz PPIMXMJLMUOHNF-AWEZNQCLSA-N 2 1 322.449 3.120 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1sccc1Br ZINC000643521927 435340356 /nfs/dbraw/zinc/34/03/56/435340356.db2.gz FOBAMLZHGUUIOA-NXEZZACHSA-N 2 1 303.269 3.303 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)ccc1F ZINC000643522724 435341012 /nfs/dbraw/zinc/34/10/12/435341012.db2.gz SKYBSPZTWZFWMH-JQWIXIFHSA-N 2 1 315.230 3.381 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Br ZINC000643521677 435341586 /nfs/dbraw/zinc/34/15/86/435341586.db2.gz ULHRBAOMDJVRSA-ZYHUDNBSSA-N 2 1 315.230 3.381 20 0 DGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000643522756 435341596 /nfs/dbraw/zinc/34/15/96/435341596.db2.gz COPGUXQMKJCZOE-MRXNPFEDSA-N 3 1 309.542 3.397 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1)CC1CC1 ZINC000639558025 435343405 /nfs/dbraw/zinc/34/34/05/435343405.db2.gz BBSDKVWBNJLUIF-APWZRJJASA-N 2 1 308.510 3.245 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1)CC(C)C ZINC000639559442 435345049 /nfs/dbraw/zinc/34/50/49/435345049.db2.gz PTGCIGOZLBFYMI-HKUYNNGSSA-N 2 1 310.526 3.491 20 0 DGADMP CCc1nn(C)c(CC)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535811316 435357859 /nfs/dbraw/zinc/35/78/59/435357859.db2.gz CGIWDWNTWWUCLC-UHFFFAOYSA-N 2 1 320.525 3.097 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000567822913 435358576 /nfs/dbraw/zinc/35/85/76/435358576.db2.gz XZWMQPBIRQIGEN-UHFFFAOYSA-N 2 1 315.505 3.101 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000568179762 435401942 /nfs/dbraw/zinc/40/19/42/435401942.db2.gz GCNGAMQKYNMHRD-SJORKVTESA-N 2 1 321.534 3.205 20 0 DGADMP CC1=Nc2ccccc2C12CC[NH+](CCCc1c[nH+]cn1C)CC2 ZINC000639729991 435404764 /nfs/dbraw/zinc/40/47/64/435404764.db2.gz VRIBWLBSZDCXBF-UHFFFAOYSA-N 2 1 322.456 3.493 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnc3ccccc23)C1 ZINC000536695616 435404899 /nfs/dbraw/zinc/40/48/99/435404899.db2.gz JOSXCSHEUCUWQH-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000536695616 435404904 /nfs/dbraw/zinc/40/49/04/435404904.db2.gz JOSXCSHEUCUWQH-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000536695616 435404910 /nfs/dbraw/zinc/40/49/10/435404910.db2.gz JOSXCSHEUCUWQH-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)CC1 ZINC000639763364 435408563 /nfs/dbraw/zinc/40/85/63/435408563.db2.gz QIHFQJASXMOZMY-UHFFFAOYSA-N 2 1 317.458 3.321 20 0 DGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757949 435409255 /nfs/dbraw/zinc/40/92/55/435409255.db2.gz NIQJCXODVOFPIL-AWEZNQCLSA-N 2 1 305.466 3.451 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)CC1 ZINC000639757539 435410413 /nfs/dbraw/zinc/41/04/13/435410413.db2.gz HNKAWRVENLKUOQ-UHFFFAOYSA-N 2 1 317.458 3.321 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568236302 435411799 /nfs/dbraw/zinc/41/17/99/435411799.db2.gz HHKRUOVNJJHDSW-IEZWGBDMSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568236302 435411805 /nfs/dbraw/zinc/41/18/05/435411805.db2.gz HHKRUOVNJJHDSW-IEZWGBDMSA-N 2 1 324.472 3.346 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000648762189 435412715 /nfs/dbraw/zinc/41/27/15/435412715.db2.gz UUTXNIQQAOZYFI-WOJBJXKFSA-N 2 1 314.473 3.247 20 0 DGADMP Cc1nccn1CCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793152 435421754 /nfs/dbraw/zinc/42/17/54/435421754.db2.gz TYUKKMSGAWDJQM-QGZVFWFLSA-N 2 1 321.428 3.014 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793152 435421755 /nfs/dbraw/zinc/42/17/55/435421755.db2.gz TYUKKMSGAWDJQM-QGZVFWFLSA-N 2 1 321.428 3.014 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793152 435421757 /nfs/dbraw/zinc/42/17/57/435421757.db2.gz TYUKKMSGAWDJQM-QGZVFWFLSA-N 2 1 321.428 3.014 20 0 DGADMP COc1cc2c(N[C@@H]3CCC[N@@H+](C)[C@H]3C)cc[nH+]c2cc1F ZINC000480107674 435367415 /nfs/dbraw/zinc/36/74/15/435367415.db2.gz IRWFVHNUYFHASS-SMDDNHRTSA-N 2 1 303.381 3.277 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCO[C@@H]3C)C2)s1 ZINC000639632470 435375404 /nfs/dbraw/zinc/37/54/04/435375404.db2.gz BDAODZXRFIJIKH-BRWVUGGUSA-N 2 1 322.518 3.235 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000513116541 435376383 /nfs/dbraw/zinc/37/63/83/435376383.db2.gz HEDIEXXQGLDUGE-SXLOBPIMSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000513116541 435376384 /nfs/dbraw/zinc/37/63/84/435376384.db2.gz HEDIEXXQGLDUGE-SXLOBPIMSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000513116541 435376387 /nfs/dbraw/zinc/37/63/87/435376387.db2.gz HEDIEXXQGLDUGE-SXLOBPIMSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000513116541 435376390 /nfs/dbraw/zinc/37/63/90/435376390.db2.gz HEDIEXXQGLDUGE-SXLOBPIMSA-N 2 1 315.505 3.286 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000513204506 435383114 /nfs/dbraw/zinc/38/31/14/435383114.db2.gz SFGFJXPTTHWSIE-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513204506 435383120 /nfs/dbraw/zinc/38/31/20/435383120.db2.gz SFGFJXPTTHWSIE-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513204506 435383124 /nfs/dbraw/zinc/38/31/24/435383124.db2.gz SFGFJXPTTHWSIE-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000480695031 435391455 /nfs/dbraw/zinc/39/14/55/435391455.db2.gz ITUZRESENGYCAG-IRXDYDNUSA-N 2 1 304.478 3.480 20 0 DGADMP c1nc2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)ccc2[nH]1 ZINC000536594633 435392842 /nfs/dbraw/zinc/39/28/42/435392842.db2.gz RFYALWDCMKVYQB-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000480792957 435395464 /nfs/dbraw/zinc/39/54/64/435395464.db2.gz CVEFFIMKZHYCLR-UXHICEINSA-N 2 1 315.505 3.143 20 0 DGADMP FC(F)(F)CCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704320 435396036 /nfs/dbraw/zinc/39/60/36/435396036.db2.gz QMTONHFBDHQZCW-UHFFFAOYSA-N 2 1 301.356 3.326 20 0 DGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000480783232 435396374 /nfs/dbraw/zinc/39/63/74/435396374.db2.gz ZEKBSULDJHNRQL-PKOBYXMFSA-N 2 1 317.521 3.389 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000514953370 435451446 /nfs/dbraw/zinc/45/14/46/435451446.db2.gz VJNHJZIRXYQEDN-GVDBMIGSSA-N 2 1 321.534 3.381 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000482168166 435457200 /nfs/dbraw/zinc/45/72/00/435457200.db2.gz XERZUALXBVDABL-WMZOPIPTSA-N 2 1 317.477 3.115 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644561231 435458130 /nfs/dbraw/zinc/45/81/30/435458130.db2.gz VGLXCSPQIUAGLN-BSIFCXSSSA-N 2 1 324.468 3.002 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644561231 435458135 /nfs/dbraw/zinc/45/81/35/435458135.db2.gz VGLXCSPQIUAGLN-BSIFCXSSSA-N 2 1 324.468 3.002 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCC(C)(C)C1 ZINC000537691596 435462810 /nfs/dbraw/zinc/46/28/10/435462810.db2.gz ACXZIRIGQPWYAL-TVFCKZIOSA-N 2 1 308.510 3.386 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC1CC1 ZINC000537849506 435471640 /nfs/dbraw/zinc/47/16/40/435471640.db2.gz WBGRFSSLCGLJQX-OALUTQOASA-N 2 1 308.510 3.124 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](CCOCc2ccccc2)CC1 ZINC000639984682 435478973 /nfs/dbraw/zinc/47/89/73/435478973.db2.gz XRPHOEJBFKKDID-UHFFFAOYSA-N 2 1 302.462 3.154 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000538507954 435504477 /nfs/dbraw/zinc/50/44/77/435504477.db2.gz OCUQCHNHBGQMEB-OALUTQOASA-N 2 1 314.473 3.222 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063100 435507353 /nfs/dbraw/zinc/50/73/53/435507353.db2.gz UUXYPYUSXJWEKQ-JSGCOSHPSA-N 2 1 303.406 3.058 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063100 435507358 /nfs/dbraw/zinc/50/73/58/435507358.db2.gz UUXYPYUSXJWEKQ-JSGCOSHPSA-N 2 1 303.406 3.058 20 0 DGADMP CC1(F)CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000640071392 435510314 /nfs/dbraw/zinc/51/03/14/435510314.db2.gz LQTOKCGEVXCFGC-GOSISDBHSA-N 2 1 320.452 3.102 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)c2ccccc21 ZINC000569330343 435524475 /nfs/dbraw/zinc/52/44/75/435524475.db2.gz QDQFUVJTADWXTD-WDEXLOMXSA-N 2 1 322.452 3.277 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000516339606 435529711 /nfs/dbraw/zinc/52/97/11/435529711.db2.gz BAOYEZYYQOAZJZ-FUHWJXTLSA-N 2 1 310.526 3.370 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000644886519 435535665 /nfs/dbraw/zinc/53/56/65/435535665.db2.gz RFMMFDLXLCBTCD-VHUCWBOISA-N 2 1 311.429 3.037 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2CCC2)CCC1 ZINC000644666610 435482209 /nfs/dbraw/zinc/48/22/09/435482209.db2.gz IOTWERXLAISVEW-LJQANCHMSA-N 2 1 316.489 3.039 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2CCC2)CCC1 ZINC000644666610 435482218 /nfs/dbraw/zinc/48/22/18/435482218.db2.gz IOTWERXLAISVEW-LJQANCHMSA-N 2 1 316.489 3.039 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000538137899 435482206 /nfs/dbraw/zinc/48/22/06/435482206.db2.gz UIVNANPQJCJMPS-CQSZACIVSA-N 2 1 322.449 3.179 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000538405789 435497453 /nfs/dbraw/zinc/49/74/53/435497453.db2.gz FBDCWXVTPXVVML-XDNAFOTISA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000538405789 435497459 /nfs/dbraw/zinc/49/74/59/435497459.db2.gz FBDCWXVTPXVVML-XDNAFOTISA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724149 435556534 /nfs/dbraw/zinc/55/65/34/435556534.db2.gz ZMLXFPMVTGMESM-DYESRHJHSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724149 435556539 /nfs/dbraw/zinc/55/65/39/435556539.db2.gz ZMLXFPMVTGMESM-DYESRHJHSA-N 2 1 323.484 3.146 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539508458 435557112 /nfs/dbraw/zinc/55/71/12/435557112.db2.gz AJPFDIBOGWFRGV-AUUYWEPGSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000645102245 435566422 /nfs/dbraw/zinc/56/64/22/435566422.db2.gz JYYBCNGQMBERCK-PXNSSMCTSA-N 2 1 321.553 3.303 20 0 DGADMP Cc1[nH]c2nc[nH+]c(N3CCC(C[N@@H+](C)C(C)C)CC3)c2c1C ZINC000645130523 435573634 /nfs/dbraw/zinc/57/36/34/435573634.db2.gz GUMGBSRYQYQYSC-UHFFFAOYSA-N 2 1 315.465 3.131 20 0 DGADMP Cc1[nH]c2nc[nH+]c(N3CCC(C[N@H+](C)C(C)C)CC3)c2c1C ZINC000645130523 435573638 /nfs/dbraw/zinc/57/36/38/435573638.db2.gz GUMGBSRYQYQYSC-UHFFFAOYSA-N 2 1 315.465 3.131 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000517078124 435576260 /nfs/dbraw/zinc/57/62/60/435576260.db2.gz NKISNSDGSYOPLH-DLBZAZTESA-N 2 1 317.477 3.034 20 0 DGADMP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418270 435582229 /nfs/dbraw/zinc/58/22/29/435582229.db2.gz SQMMCIYCVQUGQX-KFWWJZLASA-N 2 1 323.506 3.062 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418270 435582235 /nfs/dbraw/zinc/58/22/35/435582235.db2.gz SQMMCIYCVQUGQX-KFWWJZLASA-N 2 1 323.506 3.062 20 0 DGADMP Cc1ccc2cc[nH+]c(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000645194510 435590301 /nfs/dbraw/zinc/59/03/01/435590301.db2.gz PCPYMWJQXZADFD-QGZVFWFLSA-N 2 1 311.429 3.208 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152300 435540269 /nfs/dbraw/zinc/54/02/69/435540269.db2.gz QKXOFNQPMSSBDZ-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152300 435540275 /nfs/dbraw/zinc/54/02/75/435540275.db2.gz QKXOFNQPMSSBDZ-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1O ZINC000516604583 435542070 /nfs/dbraw/zinc/54/20/70/435542070.db2.gz ZCWJNMXCSPHNMK-DOTOQJQBSA-N 2 1 320.477 3.042 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000517754889 435610109 /nfs/dbraw/zinc/61/01/09/435610109.db2.gz IBPWCKPFEOSKHY-CRAIPNDOSA-N 2 1 323.440 3.251 20 0 DGADMP CC[C@H](OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000649539391 435617185 /nfs/dbraw/zinc/61/71/85/435617185.db2.gz TWOLGYVKHDLBAN-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000649539391 435617188 /nfs/dbraw/zinc/61/71/88/435617188.db2.gz TWOLGYVKHDLBAN-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000649539391 435617192 /nfs/dbraw/zinc/61/71/92/435617192.db2.gz TWOLGYVKHDLBAN-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000570507767 435626485 /nfs/dbraw/zinc/62/64/85/435626485.db2.gz WPCPNFOXORARRY-YRXWBPOGSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000570507767 435626490 /nfs/dbraw/zinc/62/64/90/435626490.db2.gz WPCPNFOXORARRY-YRXWBPOGSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000570507767 435626493 /nfs/dbraw/zinc/62/64/93/435626493.db2.gz WPCPNFOXORARRY-YRXWBPOGSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3ccccc3n2C)C1 ZINC000540284884 435596279 /nfs/dbraw/zinc/59/62/79/435596279.db2.gz KSLGHQUOHJTDOH-NVXWUHKLSA-N 2 1 320.440 3.243 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000570189485 435599178 /nfs/dbraw/zinc/59/91/78/435599178.db2.gz SSLSQGTVBBJRIU-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000517630453 435604514 /nfs/dbraw/zinc/60/45/14/435604514.db2.gz GWSRAOGJGAPHPS-BJLQDIEVSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517630453 435604517 /nfs/dbraw/zinc/60/45/17/435604517.db2.gz GWSRAOGJGAPHPS-BJLQDIEVSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517630453 435604519 /nfs/dbraw/zinc/60/45/19/435604519.db2.gz GWSRAOGJGAPHPS-BJLQDIEVSA-N 2 1 317.521 3.358 20 0 DGADMP CCOC1CC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000541216007 435640721 /nfs/dbraw/zinc/64/07/21/435640721.db2.gz OIJCETCYSFJQGV-YUKKFIBKSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000649650552 435654140 /nfs/dbraw/zinc/65/41/40/435654140.db2.gz CLONOBDPMKGSNZ-UHFFFAOYSA-N 2 1 317.477 3.146 20 0 DGADMP C([NH+]1CCC12CCCC2)C1(C[N@H+]2CCC23CCCC3)COC1 ZINC000649657471 435655818 /nfs/dbraw/zinc/65/58/18/435655818.db2.gz AJQVPXFJTIQNQS-UHFFFAOYSA-N 2 1 304.478 3.040 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC12CCCC2 ZINC000649658422 435658186 /nfs/dbraw/zinc/65/81/86/435658186.db2.gz KIZISPAXSHKZTJ-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC12CCCC2 ZINC000649658422 435658189 /nfs/dbraw/zinc/65/81/89/435658189.db2.gz KIZISPAXSHKZTJ-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106349 435678007 /nfs/dbraw/zinc/67/80/07/435678007.db2.gz GJDUQBCECCFUEZ-RTBURBONSA-N 2 1 316.489 3.305 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106345 435678433 /nfs/dbraw/zinc/67/84/33/435678433.db2.gz GJDUQBCECCFUEZ-OALUTQOASA-N 2 1 316.489 3.305 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155616 435673780 /nfs/dbraw/zinc/67/37/80/435673780.db2.gz DEBWUWSKOIPAJA-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155616 435673782 /nfs/dbraw/zinc/67/37/82/435673782.db2.gz DEBWUWSKOIPAJA-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155616 435673786 /nfs/dbraw/zinc/67/37/86/435673786.db2.gz DEBWUWSKOIPAJA-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000519161852 435674221 /nfs/dbraw/zinc/67/42/21/435674221.db2.gz QIECVRZPOZYJMD-HZPDHXFCSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000519161852 435674223 /nfs/dbraw/zinc/67/42/23/435674223.db2.gz QIECVRZPOZYJMD-HZPDHXFCSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000519161852 435674227 /nfs/dbraw/zinc/67/42/27/435674227.db2.gz QIECVRZPOZYJMD-HZPDHXFCSA-N 2 1 310.507 3.235 20 0 DGADMP CS[C@@H]1CC[NH+](CCC(C)CC[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000519586923 435691547 /nfs/dbraw/zinc/69/15/47/435691547.db2.gz ROADTWUPRSMNFK-HZPDHXFCSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645802824 435694897 /nfs/dbraw/zinc/69/48/97/435694897.db2.gz QHRKNKOXIJBKEK-CEXWTWQISA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645802824 435694902 /nfs/dbraw/zinc/69/49/02/435694902.db2.gz QHRKNKOXIJBKEK-CEXWTWQISA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645802824 435694904 /nfs/dbraw/zinc/69/49/04/435694904.db2.gz QHRKNKOXIJBKEK-CEXWTWQISA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520206028 435728688 /nfs/dbraw/zinc/72/86/88/435728688.db2.gz QUOXZRNRUXLOLN-HOTGVXAUSA-N 2 1 314.477 3.411 20 0 DGADMP c1cn2c(n1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000655698906 435732461 /nfs/dbraw/zinc/73/24/61/435732461.db2.gz YPJXOEUTXAIFRM-LJQANCHMSA-N 2 1 324.472 3.494 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000655695324 435734098 /nfs/dbraw/zinc/73/40/98/435734098.db2.gz XKZARPSTYIYASY-GOSISDBHSA-N 2 1 312.461 3.350 20 0 DGADMP Cc1ccccc1C(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655704680 435736163 /nfs/dbraw/zinc/73/61/63/435736163.db2.gz HZHIQSFYCLATJS-SFHVURJKSA-N 2 1 316.489 3.116 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655702157 435736785 /nfs/dbraw/zinc/73/67/85/435736785.db2.gz YSGZBZLENGDWJX-FXAWDEMLSA-N 2 1 316.489 3.413 20 0 DGADMP CO[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCC1 ZINC000660433766 435740056 /nfs/dbraw/zinc/74/00/56/435740056.db2.gz AGUKYPBXJNRARF-SFHVURJKSA-N 2 1 317.477 3.214 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406824 435742546 /nfs/dbraw/zinc/74/25/46/435742546.db2.gz QUWVRYXNHHYXRV-LAUBAEHRSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406824 435742555 /nfs/dbraw/zinc/74/25/55/435742555.db2.gz QUWVRYXNHHYXRV-LAUBAEHRSA-N 3 1 323.484 3.288 20 0 DGADMP CCC1CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655715014 435742598 /nfs/dbraw/zinc/74/25/98/435742598.db2.gz HOTJRSAITXFDPX-TVPLGVNVSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc2cc[nH+]c(N3CCO[C@@H](CCC[NH+](C)C)C3)c2c1 ZINC000664657798 435754681 /nfs/dbraw/zinc/75/46/81/435754681.db2.gz PUULOLKLCPNOIB-KRWDZBQOSA-N 2 1 313.445 3.090 20 0 DGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000571611675 435721438 /nfs/dbraw/zinc/72/14/38/435721438.db2.gz ZNFARMOGYFFZSC-UHFFFAOYSA-N 2 1 314.433 3.097 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000571634229 435722393 /nfs/dbraw/zinc/72/23/93/435722393.db2.gz KHEBNPYMJPJFSL-QUCCMNQESA-N 2 1 318.505 3.082 20 0 DGADMP c1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655770276 435787132 /nfs/dbraw/zinc/78/71/32/435787132.db2.gz FJGBVZHNKIBCOH-PMACEKPBSA-N 2 1 314.473 3.023 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000655774424 435789007 /nfs/dbraw/zinc/78/90/07/435789007.db2.gz BFXAOGOWLBPIET-DFEOGRTESA-N 2 1 308.510 3.434 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651680513 435791344 /nfs/dbraw/zinc/79/13/44/435791344.db2.gz JTSJREQUJDHLQB-RTBURBONSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651680513 435791351 /nfs/dbraw/zinc/79/13/51/435791351.db2.gz JTSJREQUJDHLQB-RTBURBONSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc12 ZINC000655775544 435791618 /nfs/dbraw/zinc/79/16/18/435791618.db2.gz AEMSPSZOENYKFB-LJQANCHMSA-N 2 1 324.468 3.491 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C\C[NH+](C)C)cc1 ZINC000491687102 435792848 /nfs/dbraw/zinc/79/28/48/435792848.db2.gz UOPZLHYETVCQFQ-QKIRZYONSA-N 2 1 315.461 3.117 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccncc2N)C1 ZINC000641706566 435793279 /nfs/dbraw/zinc/79/32/79/435793279.db2.gz CMPZMKQIRSMDPD-INIZCTEOSA-N 2 1 324.472 3.186 20 0 DGADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655779308 435794331 /nfs/dbraw/zinc/79/43/31/435794331.db2.gz IDFBBZJHHABBRM-SFHVURJKSA-N 2 1 314.473 3.217 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000655779540 435794543 /nfs/dbraw/zinc/79/45/43/435794543.db2.gz NGNJGNUVGNHMPY-HPBDAGMYSA-N 2 1 304.503 3.206 20 0 DGADMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551029710 435819871 /nfs/dbraw/zinc/81/98/71/435819871.db2.gz PHOGMSPYESRCAB-XUVXKRRUSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)c1nc(C[NH2+]CCCC[N@@H+](C)C2CC2)c2ccccn21 ZINC000520822250 435775484 /nfs/dbraw/zinc/77/54/84/435775484.db2.gz IFVWGILBTWNJKZ-UHFFFAOYSA-N 2 1 314.477 3.422 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)cc2Br)C1 ZINC000520838320 435775727 /nfs/dbraw/zinc/77/57/27/435775727.db2.gz XJTHYABDQVYMAJ-VHSXEESVSA-N 2 1 319.193 3.087 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495859 435776717 /nfs/dbraw/zinc/77/67/17/435776717.db2.gz DBLOGFRKAYHVPD-DJIMGWMZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495859 435776720 /nfs/dbraw/zinc/77/67/20/435776720.db2.gz DBLOGFRKAYHVPD-DJIMGWMZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495859 435776725 /nfs/dbraw/zinc/77/67/25/435776725.db2.gz DBLOGFRKAYHVPD-DJIMGWMZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495859 435776730 /nfs/dbraw/zinc/77/67/30/435776730.db2.gz DBLOGFRKAYHVPD-DJIMGWMZSA-N 2 1 322.518 3.378 20 0 DGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757341 435778318 /nfs/dbraw/zinc/77/83/18/435778318.db2.gz FHLQINOORIIHQF-CABCVRRESA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106661 435780379 /nfs/dbraw/zinc/78/03/79/435780379.db2.gz KLKOAOCQUMEWNH-INIZCTEOSA-N 2 1 314.473 3.033 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000549929600 435783825 /nfs/dbraw/zinc/78/38/25/435783825.db2.gz IBHGRKFIAQGGAZ-ZDUSSCGKSA-N 2 1 316.367 3.247 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000549929600 435783832 /nfs/dbraw/zinc/78/38/32/435783832.db2.gz IBHGRKFIAQGGAZ-ZDUSSCGKSA-N 2 1 316.367 3.247 20 0 DGADMP c1cc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2s1 ZINC000655768413 435785489 /nfs/dbraw/zinc/78/54/89/435785489.db2.gz ZAHLHENDLYRBON-KRWDZBQOSA-N 2 1 316.470 3.244 20 0 DGADMP CCSc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655770064 435786993 /nfs/dbraw/zinc/78/69/93/435786993.db2.gz XDJQGAUKGGYJSW-QGZVFWFLSA-N 2 1 320.502 3.142 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CO1 ZINC000572521398 435834945 /nfs/dbraw/zinc/83/49/45/435834945.db2.gz GNIUDYZZTZQQPM-JUSBFGHESA-N 2 1 314.473 3.197 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658853 435842332 /nfs/dbraw/zinc/84/23/32/435842332.db2.gz KOXIDDAHXRFNGB-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP CCCN(Cc1[nH+]c(C(C)C)n2ccccc12)[C@@H]1CC[N@H+](C)C1 ZINC000651843815 435842957 /nfs/dbraw/zinc/84/29/57/435842957.db2.gz QWWWZKCZCTWQGS-MRXNPFEDSA-N 2 1 314.477 3.374 20 0 DGADMP CCCN(Cc1[nH+]c(C(C)C)n2ccccc12)[C@@H]1CC[N@@H+](C)C1 ZINC000651843815 435842960 /nfs/dbraw/zinc/84/29/60/435842960.db2.gz QWWWZKCZCTWQGS-MRXNPFEDSA-N 2 1 314.477 3.374 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662386 435845921 /nfs/dbraw/zinc/84/59/21/435845921.db2.gz JMINAAXXKPMZQX-ROUUACIJSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662386 435845927 /nfs/dbraw/zinc/84/59/27/435845927.db2.gz JMINAAXXKPMZQX-ROUUACIJSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662386 435845934 /nfs/dbraw/zinc/84/59/34/435845934.db2.gz JMINAAXXKPMZQX-ROUUACIJSA-N 2 1 322.880 3.445 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000572642172 435850014 /nfs/dbraw/zinc/85/00/14/435850014.db2.gz RUUCRLWBOUDSLW-XIKSMUEASA-N 2 1 314.473 3.054 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674469 435853923 /nfs/dbraw/zinc/85/39/23/435853923.db2.gz CIOMQTOWTWOSJJ-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651894429 435856307 /nfs/dbraw/zinc/85/63/07/435856307.db2.gz CYYXTUPHJIWRTH-CUDHKJQZSA-N 2 1 318.505 3.284 20 0 DGADMP CN(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccccc1 ZINC000660679629 435856819 /nfs/dbraw/zinc/85/68/19/435856819.db2.gz QNEYHGFTSMWDSV-UHFFFAOYSA-N 2 1 323.484 3.377 20 0 DGADMP [NH3+]CCC[N@@H+](CCc1noc2ccccc21)Cc1ccccc1 ZINC000655940318 435864544 /nfs/dbraw/zinc/86/45/44/435864544.db2.gz ZYFIRYHZSOGWLL-UHFFFAOYSA-N 2 1 309.413 3.221 20 0 DGADMP Cc1cc(F)ccc1C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660605898 435822502 /nfs/dbraw/zinc/82/25/02/435822502.db2.gz LZVLRBQYUIEQOU-SFHVURJKSA-N 2 1 322.468 3.015 20 0 DGADMP Cc1cc(F)ccc1C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660605898 435822508 /nfs/dbraw/zinc/82/25/08/435822508.db2.gz LZVLRBQYUIEQOU-SFHVURJKSA-N 2 1 322.468 3.015 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@@H]1c1ccccc1 ZINC000551175813 435825717 /nfs/dbraw/zinc/82/57/17/435825717.db2.gz NVNHPLHZMMSURH-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@@H]1c1ccccc1 ZINC000551175813 435825722 /nfs/dbraw/zinc/82/57/22/435825722.db2.gz NVNHPLHZMMSURH-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000664870014 435827270 /nfs/dbraw/zinc/82/72/70/435827270.db2.gz NUPWACLXODSTGU-UHFFFAOYSA-N 2 1 321.428 3.180 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCN(CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357906 435896780 /nfs/dbraw/zinc/89/67/80/435896780.db2.gz YLQLTHCQPCRLIP-QGZVFWFLSA-N 2 1 310.844 3.439 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357906 435896784 /nfs/dbraw/zinc/89/67/84/435896784.db2.gz YLQLTHCQPCRLIP-QGZVFWFLSA-N 2 1 310.844 3.439 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357906 435896787 /nfs/dbraw/zinc/89/67/87/435896787.db2.gz YLQLTHCQPCRLIP-QGZVFWFLSA-N 2 1 310.844 3.439 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357906 435896790 /nfs/dbraw/zinc/89/67/90/435896790.db2.gz YLQLTHCQPCRLIP-QGZVFWFLSA-N 2 1 310.844 3.439 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357906 435896794 /nfs/dbraw/zinc/89/67/94/435896794.db2.gz YLQLTHCQPCRLIP-QGZVFWFLSA-N 2 1 310.844 3.439 20 0 DGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000656194955 435909587 /nfs/dbraw/zinc/90/95/87/435909587.db2.gz VIYHJVMEZDONBG-INMHGKMJSA-N 2 1 318.461 3.419 20 0 DGADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652145050 435913809 /nfs/dbraw/zinc/91/38/09/435913809.db2.gz BKMLSOMNUXMORA-UKRRQHHQSA-N 2 1 324.465 3.093 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000652222451 435926040 /nfs/dbraw/zinc/92/60/40/435926040.db2.gz PBVWGPHVVFGBPJ-CYBMUJFWSA-N 2 1 305.422 3.162 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000652222451 435926044 /nfs/dbraw/zinc/92/60/44/435926044.db2.gz PBVWGPHVVFGBPJ-CYBMUJFWSA-N 2 1 305.422 3.162 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000652220954 435926668 /nfs/dbraw/zinc/92/66/68/435926668.db2.gz NFGXYXKNNMFFAC-OAHLLOKOSA-N 2 1 306.450 3.086 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000652220954 435926671 /nfs/dbraw/zinc/92/66/71/435926671.db2.gz NFGXYXKNNMFFAC-OAHLLOKOSA-N 2 1 306.450 3.086 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1C ZINC000656255142 435927181 /nfs/dbraw/zinc/92/71/81/435927181.db2.gz LQOYKUGKFFRXRU-IYBDPMFKSA-N 2 1 313.470 3.078 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1C ZINC000656255142 435927186 /nfs/dbraw/zinc/92/71/86/435927186.db2.gz LQOYKUGKFFRXRU-IYBDPMFKSA-N 2 1 313.470 3.078 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000665255508 435929959 /nfs/dbraw/zinc/92/99/59/435929959.db2.gz UVHPHMCVNUVNRZ-JZGRTCEGSA-N 2 1 302.462 3.309 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257863 435933347 /nfs/dbraw/zinc/93/33/47/435933347.db2.gz WTNYKZIJBHEUMP-MKXGPGLRSA-N 2 1 320.452 3.064 20 0 DGADMP CCc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362589 435959123 /nfs/dbraw/zinc/95/91/23/435959123.db2.gz KKNBCVWGRZHBPM-XUVXKRRUSA-N 2 1 316.489 3.152 20 0 DGADMP Clc1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000656499342 435962007 /nfs/dbraw/zinc/96/20/07/435962007.db2.gz DUPJSVTYJIZBDE-GOSISDBHSA-N 2 1 322.880 3.116 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000647195819 435969797 /nfs/dbraw/zinc/96/97/97/435969797.db2.gz FIZDIVMUTHFAMA-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@H]3CCOC3)CC23CC3)cc1 ZINC000647200839 435971997 /nfs/dbraw/zinc/97/19/97/435971997.db2.gz IWZBSRIKFYQIGE-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@H]3CCOC3)CC23CC3)cc1 ZINC000647200839 435972000 /nfs/dbraw/zinc/97/20/00/435972000.db2.gz IWZBSRIKFYQIGE-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000650703843 435994782 /nfs/dbraw/zinc/99/47/82/435994782.db2.gz UWQLVFSPSJBKGF-HUUCEWRRSA-N 2 1 306.425 3.046 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000647228576 435980367 /nfs/dbraw/zinc/98/03/67/435980367.db2.gz FZBPTOJYZKNBQO-AWEZNQCLSA-N 2 1 317.864 3.362 20 0 DGADMP Fc1ccc(C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665279672 435938064 /nfs/dbraw/zinc/93/80/64/435938064.db2.gz JFJJDDJBBSHBSW-AJPWXKBRSA-N 2 1 310.416 3.451 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665282472 435938459 /nfs/dbraw/zinc/93/84/59/435938459.db2.gz ZABIVVWMOWPFLV-IYWMVGAKSA-N 3 1 315.505 3.145 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000665282472 435938461 /nfs/dbraw/zinc/93/84/61/435938461.db2.gz ZABIVVWMOWPFLV-IYWMVGAKSA-N 3 1 315.505 3.145 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665282472 435938466 /nfs/dbraw/zinc/93/84/66/435938466.db2.gz ZABIVVWMOWPFLV-IYWMVGAKSA-N 3 1 315.505 3.145 20 0 DGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1CC[NH3+] ZINC000652354134 435957546 /nfs/dbraw/zinc/95/75/46/435957546.db2.gz NTFMGIFMJIUIEP-XJKSGUPXSA-N 2 1 323.868 3.118 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H]1CC[NH3+] ZINC000652353785 435957620 /nfs/dbraw/zinc/95/76/20/435957620.db2.gz CYPCVIQLNLERHY-UGSOOPFHSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000650710301 435998207 /nfs/dbraw/zinc/99/82/07/435998207.db2.gz LQJXNKRDESKRAL-NVXWUHKLSA-N 2 1 311.429 3.494 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)[C@H]1CC[NH3+] ZINC000650711448 435999322 /nfs/dbraw/zinc/99/93/22/435999322.db2.gz UDAHQCLXDVTERI-CJNGLKHVSA-N 2 1 316.474 3.154 20 0 DGADMP CCOCc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OC ZINC000650711101 435999355 /nfs/dbraw/zinc/99/93/55/435999355.db2.gz ISQGFHNATVUACY-MAUKXSAKSA-N 2 1 320.477 3.181 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)[C@H]1CC[NH3+] ZINC000650711015 435999655 /nfs/dbraw/zinc/99/96/55/435999655.db2.gz GKWVZLBGWOUIRG-CJNGLKHVSA-N 2 1 316.474 3.154 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc2c1 ZINC000650711786 435999701 /nfs/dbraw/zinc/99/97/01/435999701.db2.gz DJICVYGGCQBDSB-GUYCJALGSA-N 2 1 302.418 3.391 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000650715105 436001008 /nfs/dbraw/zinc/00/10/08/436001008.db2.gz PGYXAJMVAIIOGK-MSOLQXFVSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]Cc2ccccc2OC(F)F)c(F)c1 ZINC000650718309 436003124 /nfs/dbraw/zinc/00/31/24/436003124.db2.gz GPOFDKFSNCTZCT-UHFFFAOYSA-N 2 1 310.319 3.176 20 0 DGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1C ZINC000650722460 436005280 /nfs/dbraw/zinc/00/52/80/436005280.db2.gz UHDDPCKFSJXDAR-QRVBRYPASA-N 2 1 302.462 3.164 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650722306 436005672 /nfs/dbraw/zinc/00/56/72/436005672.db2.gz OZFSWUCZHOXBIU-QRVBRYPASA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000650722529 436006240 /nfs/dbraw/zinc/00/62/40/436006240.db2.gz WAOGBLGTRIDENE-PVAVHDDUSA-N 2 1 308.853 3.201 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)[C@@H](C)C1 ZINC000650720902 436006268 /nfs/dbraw/zinc/00/62/68/436006268.db2.gz GHXLBFWYXAVNLU-JQHSSLGASA-N 2 1 301.478 3.123 20 0 DGADMP CCCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722875 436006526 /nfs/dbraw/zinc/00/65/26/436006526.db2.gz COGQJVCFYJLJKN-XUVXKRRUSA-N 2 1 316.489 3.500 20 0 DGADMP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722202 436006534 /nfs/dbraw/zinc/00/65/34/436006534.db2.gz NAQGICABXHCMKF-CGTJXYLNSA-N 2 1 320.502 3.269 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccncc1 ZINC000647301332 436007047 /nfs/dbraw/zinc/00/70/47/436007047.db2.gz FHQMKFKGTVQFMX-PKOBYXMFSA-N 2 1 319.493 3.259 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000650723950 436008004 /nfs/dbraw/zinc/00/80/04/436008004.db2.gz WDEDJACFGNRMHN-ZWQIFLOQSA-N 2 1 320.452 3.290 20 0 DGADMP C[NH+](C)CCOc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000656686651 436008178 /nfs/dbraw/zinc/00/81/78/436008178.db2.gz UHMLEPVASOZWFT-UHFFFAOYSA-N 2 1 316.367 3.011 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cscc2Cl)C1 ZINC000650723465 436009354 /nfs/dbraw/zinc/00/93/54/436009354.db2.gz OLLLXRZJEFUKNS-VHDGCEQUSA-N 2 1 314.882 3.262 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647320798 436013098 /nfs/dbraw/zinc/01/30/98/436013098.db2.gz FEIDFXJFZYUHCT-OAGGEKHMSA-N 2 1 320.502 3.250 20 0 DGADMP CCCC[C@H](COC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344494 436025553 /nfs/dbraw/zinc/02/55/53/436025553.db2.gz RTKCXVXGEDBPPV-QRVBRYPASA-N 2 1 304.478 3.127 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705455 435995555 /nfs/dbraw/zinc/99/55/55/435995555.db2.gz HMQPLBIXQIITFV-SXLOBPIMSA-N 2 1 316.489 3.330 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000650708562 435995645 /nfs/dbraw/zinc/99/56/45/435995645.db2.gz DTQNPUAABPIFOG-AQNXPRMDSA-N 2 1 314.473 3.282 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000650707369 435995827 /nfs/dbraw/zinc/99/58/27/435995827.db2.gz DRSYYIRNWBBXLA-XIVBQZFQSA-N 2 1 320.452 3.148 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705456 435996779 /nfs/dbraw/zinc/99/67/79/435996779.db2.gz HMQPLBIXQIITFV-YSIASYRMSA-N 2 1 316.489 3.330 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480956 436061619 /nfs/dbraw/zinc/06/16/19/436061619.db2.gz HHJHNGDZWVFWFI-SJLPKXTDSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480956 436061624 /nfs/dbraw/zinc/06/16/24/436061624.db2.gz HHJHNGDZWVFWFI-SJLPKXTDSA-N 2 1 302.462 3.438 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480301 436061696 /nfs/dbraw/zinc/06/16/96/436061696.db2.gz IYVUEDMJUYRYKT-MJGOQNOKSA-N 2 1 314.473 3.439 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480301 436061701 /nfs/dbraw/zinc/06/17/01/436061701.db2.gz IYVUEDMJUYRYKT-MJGOQNOKSA-N 2 1 314.473 3.439 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480983 436062519 /nfs/dbraw/zinc/06/25/19/436062519.db2.gz LUTFOANKWGIHLL-IRXDYDNUSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480983 436062522 /nfs/dbraw/zinc/06/25/22/436062522.db2.gz LUTFOANKWGIHLL-IRXDYDNUSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480984 436063810 /nfs/dbraw/zinc/06/38/10/436063810.db2.gz LUTFOANKWGIHLL-SJORKVTESA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480984 436063816 /nfs/dbraw/zinc/06/38/16/436063816.db2.gz LUTFOANKWGIHLL-SJORKVTESA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498948 436065754 /nfs/dbraw/zinc/06/57/54/436065754.db2.gz UPYASDIFSFTEKC-MOPGFXCFSA-N 2 1 317.521 3.204 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000647494423 436066762 /nfs/dbraw/zinc/06/67/62/436066762.db2.gz BCCRSSJBKMNYOL-UHFFFAOYSA-N 2 1 318.795 3.373 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498603 436067284 /nfs/dbraw/zinc/06/72/84/436067284.db2.gz KYEMBRRJTYOMDG-WBMJQRKESA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498603 436067292 /nfs/dbraw/zinc/06/72/92/436067292.db2.gz KYEMBRRJTYOMDG-WBMJQRKESA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000647498404 436067367 /nfs/dbraw/zinc/06/73/67/436067367.db2.gz GQJMYEXYGMGAEJ-DGCLKSJQSA-N 2 1 307.488 3.431 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000647498404 436067373 /nfs/dbraw/zinc/06/73/73/436067373.db2.gz GQJMYEXYGMGAEJ-DGCLKSJQSA-N 2 1 307.488 3.431 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000647509196 436069499 /nfs/dbraw/zinc/06/94/99/436069499.db2.gz TWFRBTOWTWALMH-IJEWVQPXSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539116 436075874 /nfs/dbraw/zinc/07/58/74/436075874.db2.gz XWOKXEAGNRKOFF-BEFAXECRSA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539116 436075879 /nfs/dbraw/zinc/07/58/79/436075879.db2.gz XWOKXEAGNRKOFF-BEFAXECRSA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC ZINC000647535664 436076243 /nfs/dbraw/zinc/07/62/43/436076243.db2.gz SOHQXXBVXOJMOL-HOTGVXAUSA-N 2 1 320.477 3.433 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542778 436077007 /nfs/dbraw/zinc/07/70/07/436077007.db2.gz BQTHXZSKFGOXPU-GJZGRUSLSA-N 2 1 307.507 3.478 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543126 436077110 /nfs/dbraw/zinc/07/71/10/436077110.db2.gz HWKKQPFEKSYPHF-QZTJIDSGSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543126 436077114 /nfs/dbraw/zinc/07/71/14/436077114.db2.gz HWKKQPFEKSYPHF-QZTJIDSGSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543126 436077117 /nfs/dbraw/zinc/07/71/17/436077117.db2.gz HWKKQPFEKSYPHF-QZTJIDSGSA-N 2 1 324.472 3.288 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647543111 436077372 /nfs/dbraw/zinc/07/73/72/436077372.db2.gz HTVYQNQFPCAEAZ-ROUUACIJSA-N 2 1 318.509 3.122 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC000647543974 436077721 /nfs/dbraw/zinc/07/77/21/436077721.db2.gz VCJCIFYIZUMHJS-OALUTQOASA-N 2 1 324.472 3.084 20 0 DGADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543178 436078062 /nfs/dbraw/zinc/07/80/62/436078062.db2.gz IUDIXZXTJMEFQN-QZTJIDSGSA-N 2 1 324.472 3.084 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647543109 436078277 /nfs/dbraw/zinc/07/82/77/436078277.db2.gz HTVYQNQFPCAEAZ-MSOLQXFVSA-N 2 1 318.509 3.122 20 0 DGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544092 436078358 /nfs/dbraw/zinc/07/83/58/436078358.db2.gz WODFFLAXHLTTTQ-ZWKOTPCHSA-N 2 1 309.457 3.446 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC000647544399 436081500 /nfs/dbraw/zinc/08/15/00/436081500.db2.gz ZSUCZJFTBGCQRC-ZIAGYGMSSA-N 2 1 312.379 3.316 20 0 DGADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000647551255 436083419 /nfs/dbraw/zinc/08/34/19/436083419.db2.gz DBZPJLHQEVCSAZ-IUODEOHRSA-N 2 1 312.379 3.325 20 0 DGADMP CCC[N@H+]1CC[C@H](CNCc2cc(F)ccc2OC(F)F)C1 ZINC000657324493 436137633 /nfs/dbraw/zinc/13/76/33/436137633.db2.gz CCESUHKPRVOGSI-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657324493 436137638 /nfs/dbraw/zinc/13/76/38/436137638.db2.gz CCESUHKPRVOGSI-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657324493 436137644 /nfs/dbraw/zinc/13/76/44/436137644.db2.gz CCESUHKPRVOGSI-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCCOc1ccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)cc1OC ZINC000647872218 436138800 /nfs/dbraw/zinc/13/88/00/436138800.db2.gz HZVCBYKWHNDSEN-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP COc1ccc(CCC[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647881115 436140383 /nfs/dbraw/zinc/14/03/83/436140383.db2.gz AWQPPPYWROWDQW-UHFFFAOYSA-N 2 1 304.478 3.339 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000647883529 436140498 /nfs/dbraw/zinc/14/04/98/436140498.db2.gz ZRFAPQMDXJRRAZ-GOSISDBHSA-N 2 1 302.462 3.264 20 0 DGADMP c1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000647881644 436140549 /nfs/dbraw/zinc/14/05/49/436140549.db2.gz ZDMHYAWZDORLIA-HXUWFJFHSA-N 2 1 316.489 3.447 20 0 DGADMP c1cc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000647884377 436140841 /nfs/dbraw/zinc/14/08/41/436140841.db2.gz IKQPCOTUYWUMMC-KRWDZBQOSA-N 2 1 316.445 3.332 20 0 DGADMP OCCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000647885825 436142173 /nfs/dbraw/zinc/14/21/73/436142173.db2.gz UCULXAHWVFMGLH-HXUWFJFHSA-N 2 1 316.489 3.138 20 0 DGADMP COc1ccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)CC(C)(C)C)cc1 ZINC000647885888 436143393 /nfs/dbraw/zinc/14/33/93/436143393.db2.gz FYEXJZVOXRZPCY-QGZVFWFLSA-N 2 1 304.478 3.195 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCC ZINC000653279475 436151947 /nfs/dbraw/zinc/15/19/47/436151947.db2.gz GZJFBUIFWSKNHN-GDBMZVCRSA-N 2 1 306.450 3.186 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCC ZINC000653279475 436151953 /nfs/dbraw/zinc/15/19/53/436151953.db2.gz GZJFBUIFWSKNHN-GDBMZVCRSA-N 2 1 306.450 3.186 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000653279447 436152486 /nfs/dbraw/zinc/15/24/86/436152486.db2.gz CKJUEUPADVZIID-OFQRWUPVSA-N 2 1 306.450 3.184 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000653279447 436152491 /nfs/dbraw/zinc/15/24/91/436152491.db2.gz CKJUEUPADVZIID-OFQRWUPVSA-N 2 1 306.450 3.184 20 0 DGADMP Fc1ccc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)nc2c1F ZINC000647925224 436153319 /nfs/dbraw/zinc/15/33/19/436153319.db2.gz XFISEKQTMUFGOG-LBPRGKRZSA-N 2 1 317.383 3.087 20 0 DGADMP Fc1ccc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)nc2c1F ZINC000647925224 436153320 /nfs/dbraw/zinc/15/33/20/436153320.db2.gz XFISEKQTMUFGOG-LBPRGKRZSA-N 2 1 317.383 3.087 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC[C@H]1c1ccccc1 ZINC000647965679 436161527 /nfs/dbraw/zinc/16/15/27/436161527.db2.gz FSVMQHLXWIWCAO-MISYRCLQSA-N 2 1 318.505 3.203 20 0 DGADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC[C@H]1c1ccccc1 ZINC000647965679 436161531 /nfs/dbraw/zinc/16/15/31/436161531.db2.gz FSVMQHLXWIWCAO-MISYRCLQSA-N 2 1 318.505 3.203 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976869 436166701 /nfs/dbraw/zinc/16/67/01/436166701.db2.gz VKVORALWRINFFK-QZTJIDSGSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975747 436167071 /nfs/dbraw/zinc/16/70/71/436167071.db2.gz FLOIWHFERVXBHT-QLFBSQMISA-N 2 1 320.481 3.140 20 0 DGADMP c1coc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)no2)c1 ZINC000647976134 436167336 /nfs/dbraw/zinc/16/73/36/436167336.db2.gz KMETYIZUTIVTCM-CABCVRRESA-N 2 1 315.417 3.146 20 0 DGADMP C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000661710783 436162492 /nfs/dbraw/zinc/16/24/92/436162492.db2.gz VYIRMFATUTYCKV-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967432 436163033 /nfs/dbraw/zinc/16/30/33/436163033.db2.gz FSKPJTGKVQSJBO-IRXDYDNUSA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967432 436163039 /nfs/dbraw/zinc/16/30/39/436163039.db2.gz FSKPJTGKVQSJBO-IRXDYDNUSA-N 2 1 310.457 3.204 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647990397 436169501 /nfs/dbraw/zinc/16/95/01/436169501.db2.gz XGKLIMDOGNWYJL-FQEVSTJZSA-N 2 1 316.489 3.402 20 0 DGADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975749 436167844 /nfs/dbraw/zinc/16/78/44/436167844.db2.gz FMZZWWRJDFVNGZ-ARFHVFGLSA-N 2 1 320.481 3.185 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)[C@H](c2ccccc2)C1 ZINC000648068193 436200361 /nfs/dbraw/zinc/20/03/61/436200361.db2.gz IKPHKFPAYXIITH-QUCCMNQESA-N 2 1 321.468 3.005 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)[C@H](c2ccccc2)C1 ZINC000648068193 436200364 /nfs/dbraw/zinc/20/03/64/436200364.db2.gz IKPHKFPAYXIITH-QUCCMNQESA-N 2 1 321.468 3.005 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000648068107 436200476 /nfs/dbraw/zinc/20/04/76/436200476.db2.gz BMDXDNDWZFXBGY-SCWSEQNSSA-N 2 1 324.468 3.258 20 0 DGADMP Fc1cccc(F)c1CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000653558559 436203290 /nfs/dbraw/zinc/20/32/90/436203290.db2.gz JDPBVRUGMYTTRP-OAHLLOKOSA-N 2 1 308.416 3.315 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000653558559 436203294 /nfs/dbraw/zinc/20/32/94/436203294.db2.gz JDPBVRUGMYTTRP-OAHLLOKOSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3c(F)cccc3F)CC[C@H]21 ZINC000653570305 436210646 /nfs/dbraw/zinc/21/06/46/436210646.db2.gz IZZQNHUMUSLHCQ-RDTXWAMCSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3c(F)cccc3F)CC[C@H]21 ZINC000653570305 436210653 /nfs/dbraw/zinc/21/06/53/436210653.db2.gz IZZQNHUMUSLHCQ-RDTXWAMCSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3c(F)cccc3F)CC[C@H]21 ZINC000653570305 436210658 /nfs/dbraw/zinc/21/06/58/436210658.db2.gz IZZQNHUMUSLHCQ-RDTXWAMCSA-N 2 1 308.416 3.314 20 0 DGADMP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153479 436289353 /nfs/dbraw/zinc/28/93/53/436289353.db2.gz SBDCWTLXGPEDMG-OXQOHEQNSA-N 2 1 316.489 3.402 20 0 DGADMP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153479 436289358 /nfs/dbraw/zinc/28/93/58/436289358.db2.gz SBDCWTLXGPEDMG-OXQOHEQNSA-N 2 1 316.489 3.402 20 0 DGADMP C[C@@]1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CCC[NH2+]C1 ZINC000666843174 436291910 /nfs/dbraw/zinc/29/19/10/436291910.db2.gz OMTNEQOSNJZDDK-QGZVFWFLSA-N 2 1 303.837 3.368 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC1CCCCC1 ZINC000657751192 436295475 /nfs/dbraw/zinc/29/54/75/436295475.db2.gz GXCMIXFAKCPCJX-LPHOPBHVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562255 436246846 /nfs/dbraw/zinc/24/68/46/436246846.db2.gz LTQWVJFPRHIIKQ-QRQLOZEOSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562255 436246851 /nfs/dbraw/zinc/24/68/51/436246851.db2.gz LTQWVJFPRHIIKQ-QRQLOZEOSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657562255 436246854 /nfs/dbraw/zinc/24/68/54/436246854.db2.gz LTQWVJFPRHIIKQ-QRQLOZEOSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657562255 436246856 /nfs/dbraw/zinc/24/68/56/436246856.db2.gz LTQWVJFPRHIIKQ-QRQLOZEOSA-N 2 1 315.505 3.284 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000662031760 436253019 /nfs/dbraw/zinc/25/30/19/436253019.db2.gz UTMRAOPYQZNKAF-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC[NH2+]1 ZINC000666617793 436255693 /nfs/dbraw/zinc/25/56/93/436255693.db2.gz BOCUACTWFQRHRX-OAGGEKHMSA-N 2 1 313.445 3.395 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)C1 ZINC000657597210 436256317 /nfs/dbraw/zinc/25/63/17/436256317.db2.gz QYBORZWGURZYKP-IBGZPJMESA-N 2 1 314.473 3.066 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000657596763 436256392 /nfs/dbraw/zinc/25/63/92/436256392.db2.gz YREPACXINKIYDE-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP CCc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657596999 436257294 /nfs/dbraw/zinc/25/72/94/436257294.db2.gz QHJKFRUSXLRNLE-OAQYLSRUSA-N 2 1 324.468 3.105 20 0 DGADMP CCC1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000657593991 436257408 /nfs/dbraw/zinc/25/74/08/436257408.db2.gz FXHNMNXTHSUTGH-GQOXECLESA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC000666702067 436268790 /nfs/dbraw/zinc/26/87/90/436268790.db2.gz YOQIWWGMHVGFEU-RYUDHWBXSA-N 2 1 309.251 3.153 20 0 DGADMP CCC(C)(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000653811635 436269682 /nfs/dbraw/zinc/26/96/82/436269682.db2.gz RKIMHOHYSGPQNV-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000657666262 436272456 /nfs/dbraw/zinc/27/24/56/436272456.db2.gz NSVAELGINFWKSE-XLIONFOSSA-N 2 1 316.489 3.241 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cs2)cc1 ZINC000666743768 436274755 /nfs/dbraw/zinc/27/47/55/436274755.db2.gz BEMJAMKIMGKNPK-CZUORRHYSA-N 2 1 317.458 3.036 20 0 DGADMP CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662127462 436281682 /nfs/dbraw/zinc/28/16/82/436281682.db2.gz AENMTSJVPDTYKV-XGSMCBPESA-N 2 1 314.473 3.282 20 0 DGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662127462 436281685 /nfs/dbraw/zinc/28/16/85/436281685.db2.gz AENMTSJVPDTYKV-XGSMCBPESA-N 2 1 314.473 3.282 20 0 DGADMP C[C@H]([NH2+]C1CC(CF)(CF)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657968559 436348352 /nfs/dbraw/zinc/34/83/52/436348352.db2.gz BQYHTZMNFOLPJO-UONOGXRCSA-N 2 1 300.437 3.317 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000666872567 436299095 /nfs/dbraw/zinc/29/90/95/436299095.db2.gz XPSYDUXNUKYUOW-OFQRWUPVSA-N 2 1 306.450 3.103 20 0 DGADMP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCCO1 ZINC000662255759 436312945 /nfs/dbraw/zinc/31/29/45/436312945.db2.gz DGZVQUBJNJWGGF-GOSISDBHSA-N 2 1 302.462 3.113 20 0 DGADMP c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000662255152 436313766 /nfs/dbraw/zinc/31/37/66/436313766.db2.gz AIELQBGTKSFILC-ZWKOTPCHSA-N 2 1 302.487 3.192 20 0 DGADMP COc1ccc2c(c1)CCC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662256146 436314170 /nfs/dbraw/zinc/31/41/70/436314170.db2.gz HCCAVIBMALPREZ-UHFFFAOYSA-N 2 1 322.452 3.289 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662258688 436314286 /nfs/dbraw/zinc/31/42/86/436314286.db2.gz ZBPHIXKTYGKWKS-QYZOEREBSA-N 2 1 314.473 3.084 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1c1ccccc1 ZINC000662257310 436314495 /nfs/dbraw/zinc/31/44/95/436314495.db2.gz CLSILYOILQYALV-QRQLOZEOSA-N 2 1 314.473 3.023 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255867 436315301 /nfs/dbraw/zinc/31/53/01/436315301.db2.gz FOERTWKOKIQHIH-ZQIUZPCESA-N 2 1 322.880 3.285 20 0 DGADMP C[C@H](O)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000657816702 436316246 /nfs/dbraw/zinc/31/62/46/436316246.db2.gz KTLMTBOPLNWXAA-JXFKEZNVSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1oc2ccccc2c1Br ZINC000662265197 436317278 /nfs/dbraw/zinc/31/72/78/436317278.db2.gz NXLUVZTXCDWMAV-GHMZBOCLSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1oc2ccccc2c1Br ZINC000662265197 436317279 /nfs/dbraw/zinc/31/72/79/436317279.db2.gz NXLUVZTXCDWMAV-GHMZBOCLSA-N 2 1 323.234 3.364 20 0 DGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662285843 436323991 /nfs/dbraw/zinc/32/39/91/436323991.db2.gz NRKCGLGCAQLTPX-MHORFTMASA-N 2 1 308.510 3.421 20 0 DGADMP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298115 436325946 /nfs/dbraw/zinc/32/59/46/436325946.db2.gz UPTIUXATYZMFCR-ZBFHGGJFSA-N 2 1 320.481 3.185 20 0 DGADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298107 436326336 /nfs/dbraw/zinc/32/63/36/436326336.db2.gz UPTIUXATYZMFCR-GOEBONIOSA-N 2 1 320.481 3.185 20 0 DGADMP c1ccc(-c2nc3c(s2)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC3)cc1 ZINC000662304102 436327442 /nfs/dbraw/zinc/32/74/42/436327442.db2.gz FLBBYGYSPYAFRO-AWEZNQCLSA-N 2 1 313.470 3.168 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657858533 436328641 /nfs/dbraw/zinc/32/86/41/436328641.db2.gz HRJVNVYDYVNASE-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662313989 436329519 /nfs/dbraw/zinc/32/95/19/436329519.db2.gz ATGDBZFMVJHLSK-IUODEOHRSA-N 2 1 315.383 3.440 20 0 DGADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662313092 436329679 /nfs/dbraw/zinc/32/96/79/436329679.db2.gz ISIMXQBJQDPSKP-SJLPKXTDSA-N 2 1 317.477 3.081 20 0 DGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CCOc1ccccc1OC ZINC000662320337 436330061 /nfs/dbraw/zinc/33/00/61/436330061.db2.gz BCQXKYTXJFBMAZ-UHFFFAOYSA-N 2 1 320.477 3.176 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CCO1 ZINC000662326681 436330122 /nfs/dbraw/zinc/33/01/22/436330122.db2.gz YWNARIFSPGRDBF-MOPGFXCFSA-N 2 1 316.489 3.149 20 0 DGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326482 436330332 /nfs/dbraw/zinc/33/03/32/436330332.db2.gz UKHMRWYRKCJWPU-OXJNMPFZSA-N 2 1 316.489 3.279 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662321786 436330627 /nfs/dbraw/zinc/33/06/27/436330627.db2.gz JFIAAPLZVLMIFR-LJQANCHMSA-N 2 1 320.477 3.016 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662321786 436330629 /nfs/dbraw/zinc/33/06/29/436330629.db2.gz JFIAAPLZVLMIFR-LJQANCHMSA-N 2 1 320.477 3.016 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2csc3ccccc23)CCO1 ZINC000662322865 436331492 /nfs/dbraw/zinc/33/14/92/436331492.db2.gz NLAGXQFPOXBUCI-MRXNPFEDSA-N 2 1 318.486 3.444 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@H]2CCc3ccccc32)cc1 ZINC000662321811 436331717 /nfs/dbraw/zinc/33/17/17/436331717.db2.gz JOYBMQCYOJVNMI-RTBURBONSA-N 2 1 324.468 3.399 20 0 DGADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000657916199 436339845 /nfs/dbraw/zinc/33/98/45/436339845.db2.gz VQPISWXSVCYLIN-FGTMMUONSA-N 2 1 320.521 3.436 20 0 DGADMP C[C@H]1CC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)C1 ZINC000658127601 436383746 /nfs/dbraw/zinc/38/37/46/436383746.db2.gz NQKUMUOHWXJKJD-MDZRGWNJSA-N 2 1 308.510 3.292 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136310 436384601 /nfs/dbraw/zinc/38/46/01/436384601.db2.gz HSPKTKYTXGGOOX-QAPCUYQASA-N 2 1 304.478 3.168 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137600 436385561 /nfs/dbraw/zinc/38/55/61/436385561.db2.gz KIYKSIYGBKINIO-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000658141168 436387038 /nfs/dbraw/zinc/38/70/38/436387038.db2.gz WSQSEMOJRFLVBF-OTWHNJEPSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@@H](C)C1 ZINC000658140475 436387257 /nfs/dbraw/zinc/38/72/57/436387257.db2.gz UMGPVMIJBNXACP-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP COC[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663065368 436410691 /nfs/dbraw/zinc/41/06/91/436410691.db2.gz BCXKELPCVXSGCF-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000658194554 436398826 /nfs/dbraw/zinc/39/88/26/436398826.db2.gz PEIAGQARUJEAJS-DBDQLMEASA-N 2 1 300.446 3.059 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@@H]2CCC[C@@H]21 ZINC000658206604 436401369 /nfs/dbraw/zinc/40/13/69/436401369.db2.gz JRZOHSMQUWKPSX-HVTWWXFQSA-N 2 1 314.473 3.022 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658219057 436403214 /nfs/dbraw/zinc/40/32/14/436403214.db2.gz HICDYSCMXFXACW-OWCLPIDISA-N 2 1 318.452 3.148 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000658245932 436409268 /nfs/dbraw/zinc/40/92/68/436409268.db2.gz AYTCQXCPOKQADE-WMLDXEAASA-N 2 1 313.445 3.240 20 0 DGADMP COCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320004 436429852 /nfs/dbraw/zinc/42/98/52/436429852.db2.gz LQHOXXXFYUAHIS-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)c1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000663323348 436438884 /nfs/dbraw/zinc/43/88/84/436438884.db2.gz FGMQUFDFSVEPQJ-QGZVFWFLSA-N 2 1 304.478 3.401 20 0 DGADMP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343934 436442087 /nfs/dbraw/zinc/44/20/87/436442087.db2.gz KEGVTLPDDIDBPQ-YRPNKDGESA-N 2 1 320.521 3.293 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344637 436443154 /nfs/dbraw/zinc/44/31/54/436443154.db2.gz DDEZIDUGPOAISC-QGZVFWFLSA-N 2 1 324.472 3.288 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344637 436443158 /nfs/dbraw/zinc/44/31/58/436443158.db2.gz DDEZIDUGPOAISC-QGZVFWFLSA-N 2 1 324.472 3.288 20 0 DGADMP c1ccc2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccnc2c1 ZINC000663345647 436443455 /nfs/dbraw/zinc/44/34/55/436443455.db2.gz MJTSQTTYYDOPLC-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP c1cc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccc2cn1 ZINC000663344532 436443633 /nfs/dbraw/zinc/44/36/33/436443633.db2.gz VIXXVLGJEZZFPK-SFHVURJKSA-N 2 1 309.457 3.446 20 0 DGADMP FC(F)Oc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347643 436443855 /nfs/dbraw/zinc/44/38/55/436443855.db2.gz REEAXMFTBCFJSY-MRXNPFEDSA-N 2 1 324.415 3.500 20 0 DGADMP c1cnn(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2)c1 ZINC000663347826 436444356 /nfs/dbraw/zinc/44/43/56/436444356.db2.gz WXUIHPSZXBHHPV-IBGZPJMESA-N 2 1 324.472 3.084 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347710 436445141 /nfs/dbraw/zinc/44/51/41/436445141.db2.gz SXYRDKCJXLWYAF-HNNXBMFYSA-N 2 1 324.415 3.500 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347710 436445145 /nfs/dbraw/zinc/44/51/45/436445145.db2.gz SXYRDKCJXLWYAF-HNNXBMFYSA-N 2 1 324.415 3.500 20 0 DGADMP C[C@H]1COCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663361785 436447224 /nfs/dbraw/zinc/44/72/24/436447224.db2.gz FUUIJAUYZGUVKQ-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP FCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000663462075 436461921 /nfs/dbraw/zinc/46/19/21/436461921.db2.gz UXRBMCTZXVXHDL-QRVBRYPASA-N 2 1 320.452 3.005 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC(F)CC1 ZINC000658288222 436419684 /nfs/dbraw/zinc/41/96/84/436419684.db2.gz BGHZABYKQUYJPD-USSHROBNSA-N 2 1 312.473 3.136 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663498690 436470877 /nfs/dbraw/zinc/47/08/77/436470877.db2.gz DFDJGQQOBDOXPA-BHIYHBOVSA-N 3 1 303.494 3.003 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663498693 436470964 /nfs/dbraw/zinc/47/09/64/436470964.db2.gz DFDJGQQOBDOXPA-YTQUADARSA-N 3 1 303.494 3.003 20 0 DGADMP Cc1cc(N2CCC(Nc3[nH+]ccc4[nH]ccc43)CC2)nc(C)[nH+]1 ZINC000663696930 436493137 /nfs/dbraw/zinc/49/31/37/436493137.db2.gz TZZFYZKCSAJSTJ-UHFFFAOYSA-N 2 1 322.416 3.051 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000663769901 436505381 /nfs/dbraw/zinc/50/53/81/436505381.db2.gz WVRLNWRPSJXEOT-UHFFFAOYSA-N 2 1 313.367 3.473 20 0 DGADMP Cc1ccc(CNc2[nH+]ccc3[nH]ccc32)c(N2CCCC2)[nH+]1 ZINC000663786166 436507298 /nfs/dbraw/zinc/50/72/98/436507298.db2.gz SIMYOUKTULHOEY-UHFFFAOYSA-N 2 1 307.401 3.479 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000660011028 436577820 /nfs/dbraw/zinc/57/78/20/436577820.db2.gz NFDMGKYMOVRGBD-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP COc1cccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000660011028 436577824 /nfs/dbraw/zinc/57/78/24/436577824.db2.gz NFDMGKYMOVRGBD-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000659858444 436547374 /nfs/dbraw/zinc/54/73/74/436547374.db2.gz DNIPRXWOUBXTCE-MJGOQNOKSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000659858444 436547379 /nfs/dbraw/zinc/54/73/79/436547379.db2.gz DNIPRXWOUBXTCE-MJGOQNOKSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000659858444 436547383 /nfs/dbraw/zinc/54/73/83/436547383.db2.gz DNIPRXWOUBXTCE-MJGOQNOKSA-N 2 1 304.478 3.087 20 0 DGADMP c1cc2c(cc[nH+]c2N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)[nH]1 ZINC000664031057 436547892 /nfs/dbraw/zinc/54/78/92/436547892.db2.gz AZYQURHPXRHWAM-APWZRJJASA-N 2 1 318.424 3.274 20 0 DGADMP CC(C)c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655683560 436573816 /nfs/dbraw/zinc/57/38/16/436573816.db2.gz HHNPBPCITDYMSU-HXUWFJFHSA-N 2 1 316.489 3.195 20 0 DGADMP CO[C@@H](C[N@@H+](C)C1CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000660073340 436584828 /nfs/dbraw/zinc/58/48/28/436584828.db2.gz FHDKJCYCZOOJNQ-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000660073340 436584831 /nfs/dbraw/zinc/58/48/31/436584831.db2.gz FHDKJCYCZOOJNQ-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000660073340 436584834 /nfs/dbraw/zinc/58/48/34/436584834.db2.gz FHDKJCYCZOOJNQ-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660157638 436596457 /nfs/dbraw/zinc/59/64/57/436596457.db2.gz VEAVHELMTIVXQL-QRVBRYPASA-N 2 1 321.553 3.161 20 0 DGADMP COc1ccccc1[C@@H](CC(C)C)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000660199736 436603938 /nfs/dbraw/zinc/60/39/38/436603938.db2.gz CMFILKXXHXVHKM-FUHWJXTLSA-N 2 1 322.493 3.073 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212524 436606903 /nfs/dbraw/zinc/60/69/03/436606903.db2.gz LDXXNBZIVKCARF-NKGKWGDASA-N 2 1 324.896 3.328 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212524 436606909 /nfs/dbraw/zinc/60/69/09/436606909.db2.gz LDXXNBZIVKCARF-NKGKWGDASA-N 2 1 324.896 3.328 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000660220083 436608018 /nfs/dbraw/zinc/60/80/18/436608018.db2.gz HFBNDKKFYJQLHC-MOPGFXCFSA-N 2 1 304.478 3.209 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000660220083 436608021 /nfs/dbraw/zinc/60/80/21/436608021.db2.gz HFBNDKKFYJQLHC-MOPGFXCFSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528731107 313067822 /nfs/dbraw/zinc/06/78/22/313067822.db2.gz QXGOZRKFYHYMPI-IBGZPJMESA-N 2 1 311.429 3.051 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528731107 313067823 /nfs/dbraw/zinc/06/78/23/313067823.db2.gz QXGOZRKFYHYMPI-IBGZPJMESA-N 2 1 311.429 3.051 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H](C(C)C)C3CC3)CCCC2)CC1 ZINC000532513151 313556612 /nfs/dbraw/zinc/55/66/12/313556612.db2.gz LXEQOKPAVLGAQP-GOSISDBHSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000541579008 314024741 /nfs/dbraw/zinc/02/47/41/314024741.db2.gz YVSBOCHPCVGCEH-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP CC[C@@]1(C)CC[NH+](CC2(C[N@@H+]3CC[C@](C)(CC)C3)COC2)C1 ZINC000542002427 314052314 /nfs/dbraw/zinc/05/23/14/314052314.db2.gz HEZFQOFAQJYMJA-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504794 314375007 /nfs/dbraw/zinc/37/50/07/314375007.db2.gz JBISKTJABIJZDU-FFZOFVMBSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827586 314399637 /nfs/dbraw/zinc/39/96/37/314399637.db2.gz IADBPMXFWDPUIP-FXAWDEMLSA-N 2 1 324.468 3.179 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381964 315015963 /nfs/dbraw/zinc/01/59/63/315015963.db2.gz XXUBANJIAODPQO-VQTJNVASSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381964 315015966 /nfs/dbraw/zinc/01/59/66/315015966.db2.gz XXUBANJIAODPQO-VQTJNVASSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2O1 ZINC000562524598 315027278 /nfs/dbraw/zinc/02/72/78/315027278.db2.gz SOCIDYOPVOJYBO-RDTXWAMCSA-N 2 1 300.446 3.363 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000562958777 315065309 /nfs/dbraw/zinc/06/53/09/315065309.db2.gz UHJBNSQNBVFMNK-DJIMGWMZSA-N 2 1 309.885 3.050 20 0 DGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563350452 315104623 /nfs/dbraw/zinc/10/46/23/315104623.db2.gz NPWIMTCDGJHAOB-GOEBONIOSA-N 2 1 301.409 3.370 20 0 DGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563350452 315104627 /nfs/dbraw/zinc/10/46/27/315104627.db2.gz NPWIMTCDGJHAOB-GOEBONIOSA-N 2 1 301.409 3.370 20 0 DGADMP Cc1nc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[nH]c1C ZINC000563438450 315115795 /nfs/dbraw/zinc/11/57/95/315115795.db2.gz AXMWJLHCVGCXLC-UHFFFAOYSA-N 2 1 312.461 3.302 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000563524248 315121501 /nfs/dbraw/zinc/12/15/01/315121501.db2.gz UAXGNFXIFTZANW-LJQANCHMSA-N 2 1 310.441 3.186 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCC(C)C ZINC000564466166 315178344 /nfs/dbraw/zinc/17/83/44/315178344.db2.gz ZJPFKAZIFOQAID-WBVHZDCISA-N 2 1 320.477 3.432 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCC(C)C ZINC000564466166 315178346 /nfs/dbraw/zinc/17/83/46/315178346.db2.gz ZJPFKAZIFOQAID-WBVHZDCISA-N 2 1 320.477 3.432 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499656 315179156 /nfs/dbraw/zinc/17/91/56/315179156.db2.gz SMJYTMGRBWSQKB-HBFSDRIKSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499656 315179158 /nfs/dbraw/zinc/17/91/58/315179158.db2.gz SMJYTMGRBWSQKB-HBFSDRIKSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499656 315179160 /nfs/dbraw/zinc/17/91/60/315179160.db2.gz SMJYTMGRBWSQKB-HBFSDRIKSA-N 3 1 321.553 3.349 20 0 DGADMP COCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604484 315274495 /nfs/dbraw/zinc/27/44/95/315274495.db2.gz UJHBGVPOZUUUPD-ZBFHGGJFSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604484 315274498 /nfs/dbraw/zinc/27/44/98/315274498.db2.gz UJHBGVPOZUUUPD-ZBFHGGJFSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565604484 315274500 /nfs/dbraw/zinc/27/45/00/315274500.db2.gz UJHBGVPOZUUUPD-ZBFHGGJFSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000565604484 315274502 /nfs/dbraw/zinc/27/45/02/315274502.db2.gz UJHBGVPOZUUUPD-ZBFHGGJFSA-N 2 1 310.507 3.235 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000565769722 315286262 /nfs/dbraw/zinc/28/62/62/315286262.db2.gz RMKIYBFNPFCNDN-KRWDZBQOSA-N 2 1 316.489 3.456 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)c(F)c1 ZINC000565827434 315290475 /nfs/dbraw/zinc/29/04/75/315290475.db2.gz IQUZUMGJTWCXEV-KRWDZBQOSA-N 2 1 305.397 3.097 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(O)CCCC2)C1 ZINC000565945793 315299159 /nfs/dbraw/zinc/29/91/59/315299159.db2.gz ZUCJOXDAYSAJHA-QGZVFWFLSA-N 2 1 316.489 3.313 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CCCOC3)C2)s1 ZINC000566306726 315333230 /nfs/dbraw/zinc/33/32/30/315333230.db2.gz WWEURBIEVRKDQE-IRXDYDNUSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCCOC3)C2)s1 ZINC000566306726 315333232 /nfs/dbraw/zinc/33/32/32/315333232.db2.gz WWEURBIEVRKDQE-IRXDYDNUSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCCOC3)C2)s1 ZINC000566306726 315333235 /nfs/dbraw/zinc/33/32/35/315333235.db2.gz WWEURBIEVRKDQE-IRXDYDNUSA-N 2 1 322.518 3.237 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000566419650 315343481 /nfs/dbraw/zinc/34/34/81/315343481.db2.gz XEFQXDPAVFLTKV-UHFFFAOYSA-N 2 1 301.409 3.404 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000566419650 315343483 /nfs/dbraw/zinc/34/34/83/315343483.db2.gz XEFQXDPAVFLTKV-UHFFFAOYSA-N 2 1 301.409 3.404 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ncc(-c2ccccc2)o1 ZINC000568648723 315527134 /nfs/dbraw/zinc/52/71/34/315527134.db2.gz CYFDVPHEZSUSCV-AWEZNQCLSA-N 2 1 310.401 3.359 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000574796961 316001633 /nfs/dbraw/zinc/00/16/33/316001633.db2.gz NOSVGMSNLNRIGX-ZDUSSCGKSA-N 2 1 305.447 3.223 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000574796961 316001636 /nfs/dbraw/zinc/00/16/36/316001636.db2.gz NOSVGMSNLNRIGX-ZDUSSCGKSA-N 2 1 305.447 3.223 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000575881675 316072178 /nfs/dbraw/zinc/07/21/78/316072178.db2.gz YSIWZAOQMDWRGD-UHFFFAOYSA-N 2 1 310.526 3.275 20 0 DGADMP COCCC[NH+]1CCC(Nc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000576867245 316176204 /nfs/dbraw/zinc/17/62/04/316176204.db2.gz VBQJBGHRHYXMSE-UHFFFAOYSA-N 2 1 313.445 3.456 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000577247910 316217172 /nfs/dbraw/zinc/21/71/72/316217172.db2.gz OPFMGWCIQWQOCE-OAHLLOKOSA-N 2 1 310.457 3.287 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000577989509 316291918 /nfs/dbraw/zinc/29/19/18/316291918.db2.gz GDTJGVQMXLQCOW-CRAIPNDOSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000577989509 316291919 /nfs/dbraw/zinc/29/19/19/316291919.db2.gz GDTJGVQMXLQCOW-CRAIPNDOSA-N 2 1 304.478 3.263 20 0 DGADMP CC(C)OC(=O)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000181834849 323271928 /nfs/dbraw/zinc/27/19/28/323271928.db2.gz WHLNOKTVLLTSGA-ZWKOTPCHSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)OC(=O)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000181834849 323271932 /nfs/dbraw/zinc/27/19/32/323271932.db2.gz WHLNOKTVLLTSGA-ZWKOTPCHSA-N 2 1 318.461 3.143 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCCC(=O)OC(C)(C)C)CC1 ZINC000181945614 323276116 /nfs/dbraw/zinc/27/61/16/323276116.db2.gz BIKZLPWEQABTGI-UHFFFAOYSA-N 2 1 312.498 3.305 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCOCc2ccccc2)CC1 ZINC000182438455 323299178 /nfs/dbraw/zinc/29/91/78/323299178.db2.gz LLACWUGBKLQGIZ-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000185870120 323398023 /nfs/dbraw/zinc/39/80/23/323398023.db2.gz BEKJDBUJBWEPPV-ZWKOTPCHSA-N 2 1 304.478 3.336 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000381214773 323614260 /nfs/dbraw/zinc/61/42/60/323614260.db2.gz YEYIQTKFFYZZHI-PXNSSMCTSA-N 2 1 318.505 3.344 20 0 DGADMP CCC(CC)[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC000396319066 323677845 /nfs/dbraw/zinc/67/78/45/323677845.db2.gz BCYLCFZAAQRHFM-SLTAFYQDSA-N 2 1 324.431 3.178 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000580208394 323972750 /nfs/dbraw/zinc/97/27/50/323972750.db2.gz BFXHVUVKNHDGOJ-SJORKVTESA-N 2 1 319.836 3.126 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+](C)CCCc2cncn2C)c1 ZINC000580900663 324051607 /nfs/dbraw/zinc/05/16/07/324051607.db2.gz RNXHHHNVKKMTQD-UHFFFAOYSA-N 2 1 301.434 3.272 20 0 DGADMP CC(C)Oc1cccc(C[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000580900663 324051612 /nfs/dbraw/zinc/05/16/12/324051612.db2.gz RNXHHHNVKKMTQD-UHFFFAOYSA-N 2 1 301.434 3.272 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000580900663 324051617 /nfs/dbraw/zinc/05/16/17/324051617.db2.gz RNXHHHNVKKMTQD-UHFFFAOYSA-N 2 1 301.434 3.272 20 0 DGADMP Cc1ccc2nc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000581057550 324069104 /nfs/dbraw/zinc/06/91/04/324069104.db2.gz NELYQOZWBXDMCI-UHFFFAOYSA-N 2 1 321.428 3.025 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000581913830 324167143 /nfs/dbraw/zinc/16/71/43/324167143.db2.gz BLDAQLJSKDMUIH-ZACQAIPSSA-N 2 1 310.869 3.490 20 0 DGADMP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000581951563 324171822 /nfs/dbraw/zinc/17/18/22/324171822.db2.gz GILFXPKZMARBGD-CXAGYDPISA-N 2 1 321.852 3.372 20 0 DGADMP CC[C@@](C)(O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000581951568 324172114 /nfs/dbraw/zinc/17/21/14/324172114.db2.gz GKBLZPIUPWYNOZ-LJQANCHMSA-N 2 1 315.461 3.016 20 0 DGADMP CC[C@@](C)(O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000581951568 324172116 /nfs/dbraw/zinc/17/21/16/324172116.db2.gz GKBLZPIUPWYNOZ-LJQANCHMSA-N 2 1 315.461 3.016 20 0 DGADMP CC[C@](C)(O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000581951567 324172244 /nfs/dbraw/zinc/17/22/44/324172244.db2.gz GKBLZPIUPWYNOZ-IBGZPJMESA-N 2 1 315.461 3.016 20 0 DGADMP CC[C@](C)(O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000581951567 324172245 /nfs/dbraw/zinc/17/22/45/324172245.db2.gz GKBLZPIUPWYNOZ-IBGZPJMESA-N 2 1 315.461 3.016 20 0 DGADMP c1ccc2c(c1)CC(C[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213085 324203441 /nfs/dbraw/zinc/20/34/41/324203441.db2.gz OZPDGGJISHKMNM-FPOVZHCZSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213085 324203443 /nfs/dbraw/zinc/20/34/43/324203443.db2.gz OZPDGGJISHKMNM-FPOVZHCZSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000582213085 324203446 /nfs/dbraw/zinc/20/34/46/324203446.db2.gz OZPDGGJISHKMNM-FPOVZHCZSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000582213085 324203448 /nfs/dbraw/zinc/20/34/48/324203448.db2.gz OZPDGGJISHKMNM-FPOVZHCZSA-N 2 1 310.485 3.350 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000582778089 324273381 /nfs/dbraw/zinc/27/33/81/324273381.db2.gz GKOVURMSOFXEID-GGXGYQBMSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000582778089 324273385 /nfs/dbraw/zinc/27/33/85/324273385.db2.gz GKOVURMSOFXEID-GGXGYQBMSA-N 2 1 306.400 3.427 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000583509934 324363276 /nfs/dbraw/zinc/36/32/76/324363276.db2.gz BGNQQUCWYYYGKX-DLBZAZTESA-N 2 1 310.526 3.418 20 0 DGADMP C[C@H](CCC1CCCCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442872129 533828285 /nfs/dbraw/zinc/82/82/85/533828285.db2.gz JEPNGFGVQACSCL-QGZVFWFLSA-N 2 1 309.542 3.351 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413072 533828334 /nfs/dbraw/zinc/82/83/34/533828334.db2.gz FQYVWEYXCFZOCS-OALUTQOASA-N 2 1 318.505 3.407 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413072 533828349 /nfs/dbraw/zinc/82/83/49/533828349.db2.gz FQYVWEYXCFZOCS-OALUTQOASA-N 2 1 318.505 3.407 20 0 DGADMP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420374993 534053080 /nfs/dbraw/zinc/05/30/80/534053080.db2.gz OMTLMWRNWBQTEA-KBXCAEBGSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000420374993 534053085 /nfs/dbraw/zinc/05/30/85/534053085.db2.gz OMTLMWRNWBQTEA-KBXCAEBGSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000442770762 534080458 /nfs/dbraw/zinc/08/04/58/534080458.db2.gz QSRNLVRTXMPFPB-RYUDHWBXSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000442782400 534080920 /nfs/dbraw/zinc/08/09/20/534080920.db2.gz RCMREFQRIDARRU-STQMWFEESA-N 2 1 316.367 3.143 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2)n1 ZINC000443059632 534096672 /nfs/dbraw/zinc/09/66/72/534096672.db2.gz NJVKCYKUQMJVMJ-KRWDZBQOSA-N 2 1 312.461 3.050 20 0 DGADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415112152 534202256 /nfs/dbraw/zinc/20/22/56/534202256.db2.gz RKYZVLNXFSUIHB-YOEHRIQHSA-N 2 1 315.461 3.045 20 0 DGADMP Cc1nc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781922 534369753 /nfs/dbraw/zinc/36/97/53/534369753.db2.gz OYURANIOECNBST-AAEUAGOBSA-N 2 1 319.836 3.473 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781922 534369758 /nfs/dbraw/zinc/36/97/58/534369758.db2.gz OYURANIOECNBST-AAEUAGOBSA-N 2 1 319.836 3.473 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000428868564 534419889 /nfs/dbraw/zinc/41/98/89/534419889.db2.gz XANJCVBSOAVPPV-QWRGUYRKSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000428868564 534419895 /nfs/dbraw/zinc/41/98/95/534419895.db2.gz XANJCVBSOAVPPV-QWRGUYRKSA-N 2 1 304.381 3.483 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000154793240 519608761 /nfs/dbraw/zinc/60/87/61/519608761.db2.gz BCLNZKNXBGNFMG-YJBOKZPZSA-N 2 1 317.477 3.101 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000154793240 519608766 /nfs/dbraw/zinc/60/87/66/519608766.db2.gz BCLNZKNXBGNFMG-YJBOKZPZSA-N 2 1 317.477 3.101 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000442919947 534653486 /nfs/dbraw/zinc/65/34/86/534653486.db2.gz KLTJYDPXNUCBFC-CYBMUJFWSA-N 2 1 316.367 3.189 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000443058294 534654433 /nfs/dbraw/zinc/65/44/33/534654433.db2.gz JXGQFCBWRDEWNH-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294979117 534709999 /nfs/dbraw/zinc/70/99/99/534709999.db2.gz GVGYWAGPTMCDHJ-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000157086591 524452233 /nfs/dbraw/zinc/45/22/33/524452233.db2.gz ZVABCZVFADTKEE-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000157086591 524452240 /nfs/dbraw/zinc/45/22/40/524452240.db2.gz ZVABCZVFADTKEE-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000415051239 526620590 /nfs/dbraw/zinc/62/05/90/526620590.db2.gz JGHAERDCPJTBIL-CYBMUJFWSA-N 2 1 304.356 3.091 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000415058571 526696238 /nfs/dbraw/zinc/69/62/38/526696238.db2.gz VVLDIXJLEZYHND-SFHVURJKSA-N 2 1 313.445 3.124 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000430601450 527169953 /nfs/dbraw/zinc/16/99/53/527169953.db2.gz UIMHPALHLQWKCO-DOTOQJQBSA-N 2 1 302.462 3.374 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C12CCCCC2 ZINC000317285266 527952506 /nfs/dbraw/zinc/95/25/06/527952506.db2.gz RNVBPPFMFMTQBP-XLAORIBOSA-N 2 1 306.494 3.331 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000429359093 528003690 /nfs/dbraw/zinc/00/36/90/528003690.db2.gz ZSHNYRSSNDXMMA-SFHVURJKSA-N 2 1 319.493 3.022 20 0 DGADMP CC(C)O[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000292602906 528055877 /nfs/dbraw/zinc/05/58/77/528055877.db2.gz WBEIWTGVAZAJPZ-MJGOQNOKSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602906 528055855 /nfs/dbraw/zinc/05/58/55/528055855.db2.gz WBEIWTGVAZAJPZ-MJGOQNOKSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602906 528055864 /nfs/dbraw/zinc/05/58/64/528055864.db2.gz WBEIWTGVAZAJPZ-MJGOQNOKSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000292602906 528055871 /nfs/dbraw/zinc/05/58/71/528055871.db2.gz WBEIWTGVAZAJPZ-MJGOQNOKSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432360178 528100044 /nfs/dbraw/zinc/10/00/44/528100044.db2.gz UQBSWEYYSUGLJW-QGZVFWFLSA-N 2 1 304.478 3.401 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cnc(C)cn1 ZINC000428443591 528171263 /nfs/dbraw/zinc/17/12/63/528171263.db2.gz ZGDULLVSSVKMCN-ULQDDVLXSA-N 2 1 304.482 3.336 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cnc(C)cn1 ZINC000428443592 528172930 /nfs/dbraw/zinc/17/29/30/528172930.db2.gz ZGDULLVSSVKMCN-YESZJQIVSA-N 2 1 304.482 3.336 20 0 DGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428992070 528180582 /nfs/dbraw/zinc/18/05/82/528180582.db2.gz LLJZEDATOPQTEF-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428992070 528180590 /nfs/dbraw/zinc/18/05/90/528180590.db2.gz LLJZEDATOPQTEF-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428992070 528180594 /nfs/dbraw/zinc/18/05/94/528180594.db2.gz LLJZEDATOPQTEF-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428992070 528180600 /nfs/dbraw/zinc/18/06/00/528180600.db2.gz LLJZEDATOPQTEF-IBGZPJMESA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415058976 528223262 /nfs/dbraw/zinc/22/32/62/528223262.db2.gz WGFYMNTZQPBLIT-MJGOQNOKSA-N 2 1 302.462 3.438 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415132324 528673871 /nfs/dbraw/zinc/67/38/71/528673871.db2.gz TZPQMUBGYKZMLA-RDJZCZTQSA-N 2 1 320.477 3.291 20 0 DGADMP CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435382185 528766612 /nfs/dbraw/zinc/76/66/12/528766612.db2.gz CAIMFFIPKVBCDL-CQSZACIVSA-N 2 1 324.852 3.075 20 0 DGADMP CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435385014 528788567 /nfs/dbraw/zinc/78/85/67/528788567.db2.gz PGDMWEGDVWCZCK-KRWDZBQOSA-N 2 1 320.477 3.446 20 0 DGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000430719477 529336193 /nfs/dbraw/zinc/33/61/93/529336193.db2.gz FLZDRKNJFJQNBE-GUDVDZBRSA-N 2 1 309.542 3.209 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449214591 535086544 /nfs/dbraw/zinc/08/65/44/535086544.db2.gz XCMRDAROOXXTPP-QGZVFWFLSA-N 2 1 318.509 3.456 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449214591 535086551 /nfs/dbraw/zinc/08/65/51/535086551.db2.gz XCMRDAROOXXTPP-QGZVFWFLSA-N 2 1 318.509 3.456 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000472293806 535551379 /nfs/dbraw/zinc/55/13/79/535551379.db2.gz NQKOQLQUGMWPFT-MJGOQNOKSA-N 2 1 304.478 3.489 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000469321175 535768884 /nfs/dbraw/zinc/76/88/84/535768884.db2.gz XBOUTADHAPWNIO-XDNAFOTISA-N 2 1 309.542 3.063 20 0 DGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000469321175 535768888 /nfs/dbraw/zinc/76/88/88/535768888.db2.gz XBOUTADHAPWNIO-XDNAFOTISA-N 2 1 309.542 3.063 20 0 DGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000469321175 535768890 /nfs/dbraw/zinc/76/88/90/535768890.db2.gz XBOUTADHAPWNIO-XDNAFOTISA-N 2 1 309.542 3.063 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493933194 535819974 /nfs/dbraw/zinc/81/99/74/535819974.db2.gz CYKIXAZHRVXQTJ-ZJPYXAASSA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493933194 535819975 /nfs/dbraw/zinc/81/99/75/535819975.db2.gz CYKIXAZHRVXQTJ-ZJPYXAASSA-N 2 1 320.521 3.434 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCCC2(F)F)s1 ZINC000449379407 536056414 /nfs/dbraw/zinc/05/64/14/536056414.db2.gz TUHAJXIDYGZOFL-LLVKDONJSA-N 2 1 303.422 3.120 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000472768150 536354479 /nfs/dbraw/zinc/35/44/79/536354479.db2.gz IANUOTFGAUYYAL-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459461048 536674439 /nfs/dbraw/zinc/67/44/39/536674439.db2.gz JNJXXZANWJHAGS-UGSOOPFHSA-N 2 1 306.425 3.118 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000090453366 545828115 /nfs/dbraw/zinc/82/81/15/545828115.db2.gz ACJOTQDZVTVOEE-CKEIUWERSA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000090453366 545828118 /nfs/dbraw/zinc/82/81/18/545828118.db2.gz ACJOTQDZVTVOEE-CKEIUWERSA-N 2 1 308.853 3.244 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090718339 545831518 /nfs/dbraw/zinc/83/15/18/545831518.db2.gz BGQLVCPKGKZMJT-IAGOWNOFSA-N 2 1 302.462 3.189 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000132385342 545963012 /nfs/dbraw/zinc/96/30/12/545963012.db2.gz PSMOFEZHVSLSQR-IEBWSBKVSA-N 2 1 309.542 3.207 20 0 DGADMP CCCC(=O)Nc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166187606 546094084 /nfs/dbraw/zinc/09/40/84/546094084.db2.gz LGFROFYGGPEWAE-SJLPKXTDSA-N 2 1 315.461 3.142 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166187606 546094088 /nfs/dbraw/zinc/09/40/88/546094088.db2.gz LGFROFYGGPEWAE-SJLPKXTDSA-N 2 1 315.461 3.142 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166187606 546094093 /nfs/dbraw/zinc/09/40/93/546094093.db2.gz LGFROFYGGPEWAE-SJLPKXTDSA-N 2 1 315.461 3.142 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccccc1 ZINC000166527889 546095989 /nfs/dbraw/zinc/09/59/89/546095989.db2.gz OHYBMUNDGHQCBM-QRVBRYPASA-N 2 1 301.478 3.340 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000180113197 546141464 /nfs/dbraw/zinc/14/14/64/546141464.db2.gz HEZWLOABRIOADP-AWEZNQCLSA-N 2 1 300.450 3.409 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237237913 546284227 /nfs/dbraw/zinc/28/42/27/546284227.db2.gz XLVQFIIHTMLVSV-OALUTQOASA-N 2 1 302.462 3.198 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285601202 546398734 /nfs/dbraw/zinc/39/87/34/546398734.db2.gz PNSCYEAOEJAIKL-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285601202 546398738 /nfs/dbraw/zinc/39/87/38/546398738.db2.gz PNSCYEAOEJAIKL-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285601202 546398741 /nfs/dbraw/zinc/39/87/41/546398741.db2.gz PNSCYEAOEJAIKL-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763044 546450922 /nfs/dbraw/zinc/45/09/22/546450922.db2.gz FEVPVFBGFCFXAC-CWLKWCNXSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339073218 546532993 /nfs/dbraw/zinc/53/29/93/546532993.db2.gz BBNGASRUZVIMFT-HOJAQTOUSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000339073218 546532994 /nfs/dbraw/zinc/53/29/94/546532994.db2.gz BBNGASRUZVIMFT-HOJAQTOUSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000339073218 546532995 /nfs/dbraw/zinc/53/29/95/546532995.db2.gz BBNGASRUZVIMFT-HOJAQTOUSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339073218 546532997 /nfs/dbraw/zinc/53/29/97/546532997.db2.gz BBNGASRUZVIMFT-HOJAQTOUSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339073218 546532998 /nfs/dbraw/zinc/53/29/98/546532998.db2.gz BBNGASRUZVIMFT-HOJAQTOUSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000339073218 546533000 /nfs/dbraw/zinc/53/30/00/546533000.db2.gz BBNGASRUZVIMFT-HOJAQTOUSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000339073218 546533001 /nfs/dbraw/zinc/53/30/01/546533001.db2.gz BBNGASRUZVIMFT-HOJAQTOUSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@@H+]1C ZINC000347201582 546583403 /nfs/dbraw/zinc/58/34/03/546583403.db2.gz LBWMFKHGHPVTIH-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000347201582 546583408 /nfs/dbraw/zinc/58/34/08/546583408.db2.gz LBWMFKHGHPVTIH-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc3ccccc3c1)C2 ZINC000391793988 546758838 /nfs/dbraw/zinc/75/88/38/546758838.db2.gz ITTLVIDZCFPFPG-ICSRJNTNSA-N 2 1 310.441 3.279 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000396845609 546762592 /nfs/dbraw/zinc/76/25/92/546762592.db2.gz GPGYSDHKYKEPQO-FCGDIQPGSA-N 2 1 314.473 3.054 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414934836 546790648 /nfs/dbraw/zinc/79/06/48/546790648.db2.gz YFKIMDKICXFFJS-WDEREUQCSA-N 2 1 303.233 3.362 20 0 DGADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414931311 546791055 /nfs/dbraw/zinc/79/10/55/546791055.db2.gz ULPCRLMUGVFJMH-LSDHHAIUSA-N 2 1 301.459 3.478 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453340242 546859977 /nfs/dbraw/zinc/85/99/77/546859977.db2.gz BRELCWDHRYTMPP-VLQPXKRTSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453340242 546859979 /nfs/dbraw/zinc/85/99/79/546859979.db2.gz BRELCWDHRYTMPP-VLQPXKRTSA-N 2 1 302.462 3.225 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000470164543 546900068 /nfs/dbraw/zinc/90/00/68/546900068.db2.gz ZJATYNYKCGTVNX-HUUCEWRRSA-N 2 1 310.457 3.333 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487537752 546918419 /nfs/dbraw/zinc/91/84/19/546918419.db2.gz MXMJLRHPIAIMQO-CQSZACIVSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487537752 546918426 /nfs/dbraw/zinc/91/84/26/546918426.db2.gz MXMJLRHPIAIMQO-CQSZACIVSA-N 2 1 307.507 3.478 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513366180 546952001 /nfs/dbraw/zinc/95/20/01/546952001.db2.gz PBNVPHJZNDMJQS-HNAYVOBHSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000537971788 546992511 /nfs/dbraw/zinc/99/25/11/546992511.db2.gz GZODGQWESOKVSP-YJBOKZPZSA-N 2 1 304.478 3.293 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000667492976 547201273 /nfs/dbraw/zinc/20/12/73/547201273.db2.gz CVJCJLPLUPFANO-IBGZPJMESA-N 2 1 318.424 3.474 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000667492976 547201277 /nfs/dbraw/zinc/20/12/77/547201277.db2.gz CVJCJLPLUPFANO-IBGZPJMESA-N 2 1 318.424 3.474 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709076 547282628 /nfs/dbraw/zinc/28/26/28/547282628.db2.gz SKGHHZGESZENET-YJBOKZPZSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709076 547282632 /nfs/dbraw/zinc/28/26/32/547282632.db2.gz SKGHHZGESZENET-YJBOKZPZSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667709076 547282635 /nfs/dbraw/zinc/28/26/35/547282635.db2.gz SKGHHZGESZENET-YJBOKZPZSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667709076 547282638 /nfs/dbraw/zinc/28/26/38/547282638.db2.gz SKGHHZGESZENET-YJBOKZPZSA-N 2 1 320.502 3.343 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667819061 547312123 /nfs/dbraw/zinc/31/21/23/547312123.db2.gz KZXMICKCIVTOOB-HOJAQTOUSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000667890051 547328020 /nfs/dbraw/zinc/32/80/20/547328020.db2.gz VAMDYVKBPVRFFB-XCLNPWKQSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000667890051 547328026 /nfs/dbraw/zinc/32/80/26/547328026.db2.gz VAMDYVKBPVRFFB-XCLNPWKQSA-N 2 1 314.473 3.197 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667910735 547332258 /nfs/dbraw/zinc/33/22/58/547332258.db2.gz XQDGSZHJLFTRJB-BOFPYLFWSA-N 2 1 311.429 3.399 20 0 DGADMP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667947203 547343618 /nfs/dbraw/zinc/34/36/18/547343618.db2.gz JIRSEXOMAUZJAP-JOCLIGHLSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H]1COc2ccccc2CN1Cc1ccnn1-c1ccncc1 ZINC000667965759 547350097 /nfs/dbraw/zinc/35/00/97/547350097.db2.gz QINANZIZGXREEK-HNNXBMFYSA-N 2 1 320.396 3.050 20 0 DGADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cnc3n2CCC3)c1 ZINC000667969544 547350433 /nfs/dbraw/zinc/35/04/33/547350433.db2.gz MYLOSXOZGDIYJD-KDOFPFPSSA-N 2 1 311.429 3.421 20 0 DGADMP Cc1ncc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000668110546 547386937 /nfs/dbraw/zinc/38/69/37/547386937.db2.gz IWNJZYDXMPSHAZ-ZDUSSCGKSA-N 2 1 301.356 3.283 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c2ccccn21 ZINC000668458848 547459889 /nfs/dbraw/zinc/45/98/89/547459889.db2.gz KNJBFLULTGFWFP-HNNXBMFYSA-N 2 1 314.477 3.420 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c2ccccn21 ZINC000668458848 547459892 /nfs/dbraw/zinc/45/98/92/547459892.db2.gz KNJBFLULTGFWFP-HNNXBMFYSA-N 2 1 314.477 3.420 20 0 DGADMP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)[C@H]1O ZINC000668553497 547477759 /nfs/dbraw/zinc/47/77/59/547477759.db2.gz CXOCMEVETBANME-DZFIZOCASA-N 2 1 318.505 3.093 20 0 DGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000668677300 547507278 /nfs/dbraw/zinc/50/72/78/547507278.db2.gz LIAPNZJUYBJFOX-SJLPKXTDSA-N 2 1 313.489 3.059 20 0 DGADMP CCC[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740327 547526233 /nfs/dbraw/zinc/52/62/33/547526233.db2.gz TZTMOXJBTUTAJZ-ICSRJNTNSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cn[nH]c1 ZINC000671120098 547769929 /nfs/dbraw/zinc/76/99/29/547769929.db2.gz LWIWSCQRLVQMMF-MFHCWRBVSA-N 2 1 324.472 3.361 20 0 DGADMP c1cc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccc2o1 ZINC000671708793 547813945 /nfs/dbraw/zinc/81/39/45/547813945.db2.gz BJVXLJLVDSTSPV-GOSISDBHSA-N 2 1 314.429 3.166 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000673811484 547998942 /nfs/dbraw/zinc/99/89/42/547998942.db2.gz DDIOXFRPWZGXGQ-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489294 548224396 /nfs/dbraw/zinc/22/43/96/548224396.db2.gz LGLUTOKRCZSJLX-FQEVSTJZSA-N 3 1 321.553 3.449 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489294 548224399 /nfs/dbraw/zinc/22/43/99/548224399.db2.gz LGLUTOKRCZSJLX-FQEVSTJZSA-N 2 1 321.553 3.449 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489294 548224405 /nfs/dbraw/zinc/22/44/05/548224405.db2.gz LGLUTOKRCZSJLX-FQEVSTJZSA-N 2 1 321.553 3.449 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496486 548226154 /nfs/dbraw/zinc/22/61/54/548226154.db2.gz XZNPEIPEYIYWIX-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496486 548226159 /nfs/dbraw/zinc/22/61/59/548226159.db2.gz XZNPEIPEYIYWIX-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496486 548226162 /nfs/dbraw/zinc/22/61/62/548226162.db2.gz XZNPEIPEYIYWIX-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496486 548226166 /nfs/dbraw/zinc/22/61/66/548226166.db2.gz XZNPEIPEYIYWIX-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP Clc1ccccc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499247 548226320 /nfs/dbraw/zinc/22/63/20/548226320.db2.gz CTYSXFGGSNFKTB-UHFFFAOYSA-N 2 1 301.821 3.100 20 0 DGADMP Cc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000675641515 548244138 /nfs/dbraw/zinc/24/41/38/548244138.db2.gz JVQBRXHHEHQUGL-GJZGRUSLSA-N 2 1 320.481 3.416 20 0 DGADMP Cc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000675641515 548244141 /nfs/dbraw/zinc/24/41/41/548244141.db2.gz JVQBRXHHEHQUGL-GJZGRUSLSA-N 2 1 320.481 3.416 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000675751860 548265751 /nfs/dbraw/zinc/26/57/51/548265751.db2.gz ADOOUUWXLMCXEK-QYZOEREBSA-N 2 1 316.489 3.479 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000675813843 548277687 /nfs/dbraw/zinc/27/76/87/548277687.db2.gz NFNIJCLJLSIZCB-IBGZPJMESA-N 2 1 302.462 3.228 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880879 548283510 /nfs/dbraw/zinc/28/35/10/548283510.db2.gz IDTGYHZIPLKIJN-ICSRJNTNSA-N 2 1 316.489 3.241 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882598 548284509 /nfs/dbraw/zinc/28/45/09/548284509.db2.gz SJRPFRFLPJAGCT-XLIONFOSSA-N 2 1 314.473 3.215 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675934676 548294846 /nfs/dbraw/zinc/29/48/46/548294846.db2.gz RIVHCRDRGXVKFK-FFGOWVMKSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675934676 548294851 /nfs/dbraw/zinc/29/48/51/548294851.db2.gz RIVHCRDRGXVKFK-FFGOWVMKSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@H+]1C ZINC000677749617 548550572 /nfs/dbraw/zinc/55/05/72/548550572.db2.gz LNFABROIWMGBPY-BHIYHBOVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749617 548550574 /nfs/dbraw/zinc/55/05/74/548550574.db2.gz LNFABROIWMGBPY-BHIYHBOVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749617 548550577 /nfs/dbraw/zinc/55/05/77/548550577.db2.gz LNFABROIWMGBPY-BHIYHBOVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@H+]1C ZINC000677749619 548551114 /nfs/dbraw/zinc/55/11/14/548551114.db2.gz LNFABROIWMGBPY-NZSAHSFTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749619 548551119 /nfs/dbraw/zinc/55/11/19/548551119.db2.gz LNFABROIWMGBPY-NZSAHSFTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC000677749619 548551123 /nfs/dbraw/zinc/55/11/23/548551123.db2.gz LNFABROIWMGBPY-NZSAHSFTSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@@H+](CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000677805014 548557287 /nfs/dbraw/zinc/55/72/87/548557287.db2.gz JKKTUZACWLJOFR-SFHVURJKSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000677805014 548557290 /nfs/dbraw/zinc/55/72/90/548557290.db2.gz JKKTUZACWLJOFR-SFHVURJKSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000677805014 548557292 /nfs/dbraw/zinc/55/72/92/548557292.db2.gz JKKTUZACWLJOFR-SFHVURJKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678277449 548667029 /nfs/dbraw/zinc/66/70/29/548667029.db2.gz VOVJDIDTEMXJOK-SJORKVTESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000678300190 548675823 /nfs/dbraw/zinc/67/58/23/548675823.db2.gz MXELAMWXWXAOBY-SFHVURJKSA-N 2 1 322.518 3.200 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2Cl)[C@@H](C)C1 ZINC000678596825 548736420 /nfs/dbraw/zinc/73/64/20/548736420.db2.gz RLBNFTLHODTJHV-JQFCIGGWSA-N 2 1 310.869 3.347 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000678596497 548736934 /nfs/dbraw/zinc/73/69/34/548736934.db2.gz ACJOTQDZVTVOEE-JKIFEVAISA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000678596497 548736938 /nfs/dbraw/zinc/73/69/38/548736938.db2.gz ACJOTQDZVTVOEE-JKIFEVAISA-N 2 1 308.853 3.244 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678602900 548738194 /nfs/dbraw/zinc/73/81/94/548738194.db2.gz WPDWVDHWFPJFGZ-MSOLQXFVSA-N 2 1 302.462 3.234 20 0 DGADMP COC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000678605860 548739660 /nfs/dbraw/zinc/73/96/60/548739660.db2.gz XNLIZGFIYYVPIT-QRFRQXIXSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000678773258 548761418 /nfs/dbraw/zinc/76/14/18/548761418.db2.gz HYQYDUBJGPTZDP-MOPGFXCFSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000678956878 548800809 /nfs/dbraw/zinc/80/08/09/548800809.db2.gz OPOUWHAYSFJJCG-KXBFYZLASA-N 2 1 320.452 3.162 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679153083 548839592 /nfs/dbraw/zinc/83/95/92/548839592.db2.gz NFABZTNHSCNODR-SJLPKXTDSA-N 2 1 301.478 3.485 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679368483 548887211 /nfs/dbraw/zinc/88/72/11/548887211.db2.gz JZUFZGMCBGQJNA-MPGHIAIKSA-N 2 1 312.461 3.279 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000679873471 548958780 /nfs/dbraw/zinc/95/87/80/548958780.db2.gz JKJDNZCDWYPCOA-AWEZNQCLSA-N 2 1 308.470 3.273 20 0 DGADMP Cc1nccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000680067058 548991913 /nfs/dbraw/zinc/99/19/13/548991913.db2.gz AXMYPIVAGDXYOM-GBESFXJTSA-N 2 1 322.456 3.498 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000680333568 549030629 /nfs/dbraw/zinc/03/06/29/549030629.db2.gz BPMUASMLJCWXNC-QGZVFWFLSA-N 2 1 302.462 3.415 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378562 549043965 /nfs/dbraw/zinc/04/39/65/549043965.db2.gz YBNNWQDACHQMNT-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378562 549043968 /nfs/dbraw/zinc/04/39/68/549043968.db2.gz YBNNWQDACHQMNT-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000681372213 549198840 /nfs/dbraw/zinc/19/88/40/549198840.db2.gz DLLXXNPJLWBICU-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc3c(s2)CCCC3)CC1 ZINC000682781872 549372751 /nfs/dbraw/zinc/37/27/51/549372751.db2.gz BYKGUHCVZGVSRD-UHFFFAOYSA-N 2 1 305.491 3.082 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nc3c(s2)CCCC3)CC1 ZINC000682781872 549372752 /nfs/dbraw/zinc/37/27/52/549372752.db2.gz BYKGUHCVZGVSRD-UHFFFAOYSA-N 2 1 305.491 3.082 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000683345647 549472133 /nfs/dbraw/zinc/47/21/33/549472133.db2.gz HJJWCJVGQZDDHK-MBOZVWFJSA-N 2 1 316.489 3.401 20 0 DGADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000684377835 549623335 /nfs/dbraw/zinc/62/33/35/549623335.db2.gz GHNPKGTXWKODNU-QGZVFWFLSA-N 2 1 324.415 3.357 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(C)c1O ZINC000685420465 549756325 /nfs/dbraw/zinc/75/63/25/549756325.db2.gz YMGICPBWJBARBU-MJGOQNOKSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(C)c1O ZINC000685420465 549756327 /nfs/dbraw/zinc/75/63/27/549756327.db2.gz YMGICPBWJBARBU-MJGOQNOKSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)c1O ZINC000685420465 549756330 /nfs/dbraw/zinc/75/63/30/549756330.db2.gz YMGICPBWJBARBU-MJGOQNOKSA-N 2 1 314.473 3.458 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000685420548 549756538 /nfs/dbraw/zinc/75/65/38/549756538.db2.gz IBADXPFIHHUWKA-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000685420548 549756541 /nfs/dbraw/zinc/75/65/41/549756541.db2.gz IBADXPFIHHUWKA-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000685420548 549756544 /nfs/dbraw/zinc/75/65/44/549756544.db2.gz IBADXPFIHHUWKA-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000685420548 549756548 /nfs/dbraw/zinc/75/65/48/549756548.db2.gz IBADXPFIHHUWKA-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP CC[N@@H+](Cc1cnc2ccccn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456462 549763337 /nfs/dbraw/zinc/76/33/37/549763337.db2.gz XRRIVFQOVPPGDM-UHFFFAOYSA-N 2 1 322.456 3.418 20 0 DGADMP C[N@@H+](C[C@H]1CCCC(C)(C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457327 549763536 /nfs/dbraw/zinc/76/35/36/549763536.db2.gz APHJUENKWJTMGJ-HKUYNNGSSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@@H+](C[C@@H]1CCCC(C)(C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457329 549763608 /nfs/dbraw/zinc/76/36/08/549763608.db2.gz APHJUENKWJTMGJ-MJGOQNOKSA-N 2 1 321.553 3.303 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000685462856 549765113 /nfs/dbraw/zinc/76/51/13/549765113.db2.gz UUMBOAUKSWRXRB-ROUUACIJSA-N 2 1 314.473 3.216 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000685581288 549777529 /nfs/dbraw/zinc/77/75/29/549777529.db2.gz QEUSIJZFFNUQAZ-HNNXBMFYSA-N 2 1 314.433 3.204 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000685581288 549777531 /nfs/dbraw/zinc/77/75/31/549777531.db2.gz QEUSIJZFFNUQAZ-HNNXBMFYSA-N 2 1 314.433 3.204 20 0 DGADMP Cc1cn[nH]c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619426 549781855 /nfs/dbraw/zinc/78/18/55/549781855.db2.gz NSMMKSUYGUDPRU-SJLPKXTDSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000685619426 549781856 /nfs/dbraw/zinc/78/18/56/549781856.db2.gz NSMMKSUYGUDPRU-SJLPKXTDSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619426 549781858 /nfs/dbraw/zinc/78/18/58/549781858.db2.gz NSMMKSUYGUDPRU-SJLPKXTDSA-N 2 1 312.461 3.108 20 0 DGADMP C[NH+](C)CC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000738075684 574858783 /nfs/dbraw/zinc/85/87/83/574858783.db2.gz HMYONPQCJYYZNX-UHFFFAOYSA-N 2 1 323.440 3.031 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CCC[C@@H](n4ccnc4)C3)c2cc1C ZINC000738157136 574859991 /nfs/dbraw/zinc/85/99/91/574859991.db2.gz HCXGUCJTNHKDAB-MRXNPFEDSA-N 2 1 309.417 3.144 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000742367234 574992553 /nfs/dbraw/zinc/99/25/53/574992553.db2.gz LXBIZDHPDAQAPA-UHFFFAOYSA-N 2 1 308.853 3.313 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272025 575041782 /nfs/dbraw/zinc/04/17/82/575041782.db2.gz LYBLLAMYPOINLM-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272025 575041785 /nfs/dbraw/zinc/04/17/85/575041785.db2.gz LYBLLAMYPOINLM-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272025 575041788 /nfs/dbraw/zinc/04/17/88/575041788.db2.gz LYBLLAMYPOINLM-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(Cl)c2)C[C@H]1C ZINC000743272025 575041791 /nfs/dbraw/zinc/04/17/91/575041791.db2.gz LYBLLAMYPOINLM-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000746162356 575437584 /nfs/dbraw/zinc/43/75/84/575437584.db2.gz GAPDPPQCWYZFOY-HDICACEKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000746706268 575471083 /nfs/dbraw/zinc/47/10/83/575471083.db2.gz NUQBFXITRAQLQW-AQNXPRMDSA-N 2 1 316.489 3.101 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000746706268 575471086 /nfs/dbraw/zinc/47/10/86/575471086.db2.gz NUQBFXITRAQLQW-AQNXPRMDSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000398072671 575959986 /nfs/dbraw/zinc/95/99/86/575959986.db2.gz ZFCHIRQEJGNIRZ-OXQOHEQNSA-N 2 1 310.441 3.392 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694650 620641553 /nfs/dbraw/zinc/64/15/53/620641553.db2.gz XVDZPZFBWBRECJ-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694650 620641555 /nfs/dbraw/zinc/64/15/55/620641555.db2.gz XVDZPZFBWBRECJ-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H](O)c1ccc(Cl)cc1 ZINC000852729112 620643390 /nfs/dbraw/zinc/64/33/90/620643390.db2.gz KUGHBIKAEVZNBR-FGTMMUONSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)(O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853092794 620667654 /nfs/dbraw/zinc/66/76/54/620667654.db2.gz NARNSXIIYSEWFE-GOSISDBHSA-N 2 1 316.489 3.126 20 0 DGADMP C[C@@H](SC[C@H]1CCC[N@H+]1C)[C@H](C)SC[C@@H]1CCC[NH+]1C ZINC000917537070 620672703 /nfs/dbraw/zinc/67/27/03/620672703.db2.gz WOWCLSVIVOKZJR-GEEKYZPCSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@@H](SC[C@H]1CCC[NH+]1C)[C@H](C)SC[C@@H]1CCC[N@@H+]1C ZINC000917537070 620672704 /nfs/dbraw/zinc/67/27/04/620672704.db2.gz WOWCLSVIVOKZJR-GEEKYZPCSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@@H](SC[C@H]1CCC[NH+]1C)[C@H](C)SC[C@@H]1CCC[N@H+]1C ZINC000917537070 620672705 /nfs/dbraw/zinc/67/27/05/620672705.db2.gz WOWCLSVIVOKZJR-GEEKYZPCSA-N 2 1 316.580 3.418 20 0 DGADMP CCCCn1nc(C)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1Cl ZINC000853247239 620681903 /nfs/dbraw/zinc/68/19/03/620681903.db2.gz IRIRJXOIOHCXSD-CQSZACIVSA-N 2 1 300.878 3.108 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892033492 617948131 /nfs/dbraw/zinc/94/81/31/617948131.db2.gz GDWCTYRHRBIMJI-QGZVFWFLSA-N 2 1 311.429 3.257 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892033492 617948132 /nfs/dbraw/zinc/94/81/32/617948132.db2.gz GDWCTYRHRBIMJI-QGZVFWFLSA-N 2 1 311.429 3.257 20 0 DGADMP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000891561894 617835043 /nfs/dbraw/zinc/83/50/43/617835043.db2.gz NDVVGZFHKMGQGK-UHFFFAOYSA-N 2 1 318.461 3.086 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000891561894 617835049 /nfs/dbraw/zinc/83/50/49/617835049.db2.gz NDVVGZFHKMGQGK-UHFFFAOYSA-N 2 1 318.461 3.086 20 0 DGADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000892233112 617990839 /nfs/dbraw/zinc/99/08/39/617990839.db2.gz CVWXDZFLLPWDTM-XUVXKRRUSA-N 2 1 316.489 3.029 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C(C)(C)O)cc1 ZINC000926558123 618048419 /nfs/dbraw/zinc/04/84/19/618048419.db2.gz FYOJJIWTTVQBPE-HNNXBMFYSA-N 2 1 304.478 3.439 20 0 DGADMP CC(C)(C[NH2+]C[C@@H]1C[C@]1(C)Br)[NH+]1CCCCC1 ZINC000892433092 618065366 /nfs/dbraw/zinc/06/53/66/618065366.db2.gz RDDHYORILLYXNN-JSGCOSHPSA-N 2 1 303.288 3.014 20 0 DGADMP CCCSC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000892451956 618069278 /nfs/dbraw/zinc/06/92/78/618069278.db2.gz DPMZTFXKCUQZER-MRXNPFEDSA-N 2 1 322.518 3.140 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1cn2ccnc2s1)C1CCCCC1 ZINC000892450327 618069483 /nfs/dbraw/zinc/06/94/83/618069483.db2.gz AEVFYUNIUNLXLS-UHFFFAOYSA-N 2 1 306.479 3.140 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cn2ccnc2s1)C1CCCCC1 ZINC000892450327 618069488 /nfs/dbraw/zinc/06/94/88/618069488.db2.gz AEVFYUNIUNLXLS-UHFFFAOYSA-N 2 1 306.479 3.140 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000892585971 618113234 /nfs/dbraw/zinc/11/32/34/618113234.db2.gz ZJTGKZOKQODJSV-ILXRZTDVSA-N 2 1 317.315 3.404 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2nccn2C2CC2)C1 ZINC000892588750 618113572 /nfs/dbraw/zinc/11/35/72/618113572.db2.gz JPRLTDNGGDLFFG-IYBDPMFKSA-N 2 1 304.482 3.066 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c(F)c1 ZINC000892586966 618113804 /nfs/dbraw/zinc/11/38/04/618113804.db2.gz OZONJZDFKICXRQ-BCPDWATNSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)c(F)c1 ZINC000892586966 618113806 /nfs/dbraw/zinc/11/38/06/618113806.db2.gz OZONJZDFKICXRQ-BCPDWATNSA-N 2 1 306.400 3.427 20 0 DGADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000854230915 620786921 /nfs/dbraw/zinc/78/69/21/620786921.db2.gz BSFXRVLDYUUCGL-VNCLNFNDSA-N 2 1 304.478 3.138 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc[nH+]cc2CO)CC1 ZINC000892935904 618357358 /nfs/dbraw/zinc/35/73/58/618357358.db2.gz IVCVOVOWSMZSLU-MRXNPFEDSA-N 2 1 317.477 3.055 20 0 DGADMP Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495039 618357925 /nfs/dbraw/zinc/35/79/25/618357925.db2.gz IKDXRKLNTVDXED-KUHUBIRLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495039 618357930 /nfs/dbraw/zinc/35/79/30/618357930.db2.gz IKDXRKLNTVDXED-KUHUBIRLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495039 618357939 /nfs/dbraw/zinc/35/79/39/618357939.db2.gz IKDXRKLNTVDXED-KUHUBIRLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495039 618357944 /nfs/dbraw/zinc/35/79/44/618357944.db2.gz IKDXRKLNTVDXED-KUHUBIRLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c2c(n1)CCCC2 ZINC000894495039 618357952 /nfs/dbraw/zinc/35/79/52/618357952.db2.gz IKDXRKLNTVDXED-KUHUBIRLSA-N 2 1 301.478 3.041 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892944456 618361818 /nfs/dbraw/zinc/36/18/18/618361818.db2.gz KSQNFBXBDHAROE-MMNRESRNSA-N 2 1 300.446 3.287 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892944456 618361821 /nfs/dbraw/zinc/36/18/21/618361821.db2.gz KSQNFBXBDHAROE-MMNRESRNSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@H+]1CC[C@@H](Nc2cc(N)[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000893009112 618388116 /nfs/dbraw/zinc/38/81/16/618388116.db2.gz PPPCOLCXQGSLJX-CJNGLKHVSA-N 2 1 302.809 3.175 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c(n1)CCCC2 ZINC000893084991 618419168 /nfs/dbraw/zinc/41/91/68/618419168.db2.gz FMLWRGNPSXGVKI-AYHJJNSGSA-N 2 1 313.489 3.374 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000925528939 618473320 /nfs/dbraw/zinc/47/33/20/618473320.db2.gz GPVTZDVUKFXBSP-NVXWUHKLSA-N 3 1 307.526 3.279 20 0 DGADMP CC(C)[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925088051 618473416 /nfs/dbraw/zinc/47/34/16/618473416.db2.gz GRJLRNCCMVQUCU-RAFMOHDBSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1csc(CCCC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000925567816 618496089 /nfs/dbraw/zinc/49/60/89/618496089.db2.gz QFDNWLHALRIOCL-WMLDXEAASA-N 2 1 303.475 3.452 20 0 DGADMP CC(C)(CO)[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925608373 618507749 /nfs/dbraw/zinc/50/77/49/618507749.db2.gz WWZAVPAMBRMKJW-MSOLQXFVSA-N 2 1 316.489 3.053 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000925616384 618510169 /nfs/dbraw/zinc/51/01/69/618510169.db2.gz RXKCHELDSKXYJB-LMMKCTJWSA-N 2 1 318.505 3.284 20 0 DGADMP CCSc1cc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccn1 ZINC000925645016 618518444 /nfs/dbraw/zinc/51/84/44/618518444.db2.gz OWAZEGLHRJZWAH-VNQPRFMTSA-N 2 1 305.491 3.060 20 0 DGADMP CCCSC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000893355764 618528084 /nfs/dbraw/zinc/52/80/84/618528084.db2.gz HMLTWYXAWLYMDX-AWEZNQCLSA-N 2 1 322.522 3.184 20 0 DGADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(OC)c1OC ZINC000925731916 618585404 /nfs/dbraw/zinc/58/54/04/618585404.db2.gz DNWKJBIOMOLYPM-BPUTZDHNSA-N 2 1 304.434 3.014 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895300332 618590403 /nfs/dbraw/zinc/59/04/03/618590403.db2.gz UEJZUKNKKDTJFE-CYBMUJFWSA-N 2 1 318.440 3.058 20 0 DGADMP CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925776583 618616118 /nfs/dbraw/zinc/61/61/18/618616118.db2.gz XYZSLHOBJQBKAJ-KURKYZTESA-N 2 1 302.462 3.275 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c(C)c1 ZINC000925848754 618646194 /nfs/dbraw/zinc/64/61/94/618646194.db2.gz KBTUCAZWCBBBQK-GOSISDBHSA-N 2 1 303.494 3.030 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000893913063 618675330 /nfs/dbraw/zinc/67/53/30/618675330.db2.gz LXXBWRUNKUEJTG-SNGLOFTFSA-N 2 1 315.505 3.201 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ocnc2C)CC1)CC1CC1 ZINC000894137064 618718342 /nfs/dbraw/zinc/71/83/42/618718342.db2.gz JBBHWWSFXGIFEB-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3onc(C)c3c2)c1 ZINC000894242097 618737464 /nfs/dbraw/zinc/73/74/64/618737464.db2.gz RZGVRVVSJFUHJT-UHFFFAOYSA-N 2 1 324.428 3.273 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc3c2OCO3)C1 ZINC000924960729 618750412 /nfs/dbraw/zinc/75/04/12/618750412.db2.gz RGHWRWIVEPSYCE-GJZGRUSLSA-N 2 1 304.434 3.186 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc3c2OCO3)C1 ZINC000924960729 618750413 /nfs/dbraw/zinc/75/04/13/618750413.db2.gz RGHWRWIVEPSYCE-GJZGRUSLSA-N 2 1 304.434 3.186 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)[C@@H]1c1cccs1 ZINC000894287646 618752874 /nfs/dbraw/zinc/75/28/74/618752874.db2.gz IIIKDJXRNSPDCB-VNQPRFMTSA-N 2 1 308.491 3.146 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)[C@@H]1c1cccs1 ZINC000894287646 618752876 /nfs/dbraw/zinc/75/28/76/618752876.db2.gz IIIKDJXRNSPDCB-VNQPRFMTSA-N 2 1 308.491 3.146 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)CCCC2)CC1 ZINC000924998109 618760318 /nfs/dbraw/zinc/76/03/18/618760318.db2.gz KHXBRPPXKMERKB-SCTDSRPQSA-N 2 1 318.505 3.354 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894323417 618764350 /nfs/dbraw/zinc/76/43/50/618764350.db2.gz GJZBZUHTYIRPCN-FUHWJXTLSA-N 2 1 324.472 3.115 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894323417 618764351 /nfs/dbraw/zinc/76/43/51/618764351.db2.gz GJZBZUHTYIRPCN-FUHWJXTLSA-N 2 1 324.472 3.115 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000925021985 618767094 /nfs/dbraw/zinc/76/70/94/618767094.db2.gz DJRSEURHRLOOEB-RBUKOAKNSA-N 2 1 308.510 3.172 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC000895380496 618776063 /nfs/dbraw/zinc/77/60/63/618776063.db2.gz YVNTXIVEHWFRHU-KXBFYZLASA-N 2 1 317.477 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCN1c1cc[nH+]cc1 ZINC000895558341 618799250 /nfs/dbraw/zinc/79/92/50/618799250.db2.gz WKPYPYSJTPFFKZ-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000895773956 618829341 /nfs/dbraw/zinc/82/93/41/618829341.db2.gz BGRVCAHBEUUIOR-SFHVURJKSA-N 2 1 324.896 3.474 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000896516312 618923835 /nfs/dbraw/zinc/92/38/35/618923835.db2.gz DEPVOPXONXLMEU-OAHLLOKOSA-N 2 1 319.518 3.153 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981377 619203109 /nfs/dbraw/zinc/20/31/09/619203109.db2.gz KUWBOAOTDJKTRX-OAHLLOKOSA-N 2 1 300.446 3.159 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000924687550 619257291 /nfs/dbraw/zinc/25/72/91/619257291.db2.gz WAHAGGHMBXWANG-ZNMIVQPWSA-N 2 1 309.454 3.092 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(Br)CC1 ZINC000924688729 619257338 /nfs/dbraw/zinc/25/73/38/619257338.db2.gz VISPASIMNONNRI-ZIAGYGMSSA-N 2 1 317.315 3.404 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519992 619283734 /nfs/dbraw/zinc/28/37/34/619283734.db2.gz RSAPVKHWNFHNDX-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC000898522043 619284127 /nfs/dbraw/zinc/28/41/27/619284127.db2.gz JFSCXNLJUCIJRH-QHAWAJNXSA-N 2 1 321.468 3.472 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898521403 619284138 /nfs/dbraw/zinc/28/41/38/619284138.db2.gz CFNAHRZLECBLRN-ZMHJYQQXSA-N 2 1 314.473 3.054 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751423 619316382 /nfs/dbraw/zinc/31/63/82/619316382.db2.gz KPYHBDBVOZUFMU-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751423 619316383 /nfs/dbraw/zinc/31/63/83/619316383.db2.gz KPYHBDBVOZUFMU-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000841069928 619333464 /nfs/dbraw/zinc/33/34/64/619333464.db2.gz HVKLTSOUHFWKAX-MRXNPFEDSA-N 2 1 302.393 3.232 20 0 DGADMP Cn1c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc2cccc(Cl)c21 ZINC000902373456 619624575 /nfs/dbraw/zinc/62/45/75/619624575.db2.gz DSAAXCUOYZWBGT-GFCCVEGCSA-N 2 1 320.868 3.095 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnc2)c1 ZINC000902742647 619668924 /nfs/dbraw/zinc/66/89/24/619668924.db2.gz VEQOWPLPTMSKGR-CVEARBPZSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnc2)c1 ZINC000902742650 619669015 /nfs/dbraw/zinc/66/90/15/619669015.db2.gz VEQOWPLPTMSKGR-JKSUJKDBSA-N 2 1 310.445 3.007 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000902806903 619675791 /nfs/dbraw/zinc/67/57/91/619675791.db2.gz QEJTZWOWCBMZIN-OYSTVDSJSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902790194 619676977 /nfs/dbraw/zinc/67/69/77/619676977.db2.gz NDAIFRHBKQFBQJ-YJBOKZPZSA-N 2 1 307.482 3.259 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903018003 619702322 /nfs/dbraw/zinc/70/23/22/619702322.db2.gz VJUDPBYQJZBSFW-QRQLOZEOSA-N 2 1 308.510 3.293 20 0 DGADMP COCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903062041 619708785 /nfs/dbraw/zinc/70/87/85/619708785.db2.gz NGGBABUYJMWDTG-JLYLLQBASA-N 2 1 300.446 3.080 20 0 DGADMP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)cn1 ZINC000903080183 619712552 /nfs/dbraw/zinc/71/25/52/619712552.db2.gz OYKZZZIWOCMOHQ-XGSMCBPESA-N 2 1 322.456 3.120 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903092953 619718634 /nfs/dbraw/zinc/71/86/34/619718634.db2.gz NMSOUVLWLJZYRY-BEFAXECRSA-N 2 1 320.452 3.225 20 0 DGADMP C[NH+](C)CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903097253 619719848 /nfs/dbraw/zinc/71/98/48/619719848.db2.gz DZLNJGBOYSONLD-ONQFOCNCSA-N 2 1 307.526 3.100 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)(C)C ZINC000903097253 619719849 /nfs/dbraw/zinc/71/98/49/619719849.db2.gz DZLNJGBOYSONLD-ONQFOCNCSA-N 3 1 307.526 3.100 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903097253 619719851 /nfs/dbraw/zinc/71/98/51/619719851.db2.gz DZLNJGBOYSONLD-ONQFOCNCSA-N 3 1 307.526 3.100 20 0 DGADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903114357 619720225 /nfs/dbraw/zinc/72/02/25/619720225.db2.gz ZNPZFESIXWPQAG-DQXYTYHJSA-N 2 1 306.494 3.065 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccccn2)C2CC2)C[C@H](C)O1 ZINC000903121202 619721681 /nfs/dbraw/zinc/72/16/81/619721681.db2.gz PNPZSUMBHPENIF-JTDSTZFVSA-N 2 1 317.477 3.012 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903125725 619722176 /nfs/dbraw/zinc/72/21/76/619722176.db2.gz OFUDTERZZAAIBD-LPHOPBHVSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903125725 619722178 /nfs/dbraw/zinc/72/21/78/619722178.db2.gz OFUDTERZZAAIBD-LPHOPBHVSA-N 2 1 301.478 3.490 20 0 DGADMP Clc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903126484 619722449 /nfs/dbraw/zinc/72/24/49/619722449.db2.gz CGCYTOPOPHVCDF-VHRNVKJDSA-N 2 1 320.864 3.466 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@](C)(O)c1ccccc1 ZINC000903193491 619733465 /nfs/dbraw/zinc/73/34/65/619733465.db2.gz FBSLODASCXAVAP-PXWCZTGZSA-N 2 1 314.473 3.030 20 0 DGADMP C[C@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@]1(F)Cl ZINC000903193926 619733531 /nfs/dbraw/zinc/73/35/31/619733531.db2.gz HYSABDDGJHXTPJ-UIEWWBOYSA-N 2 1 300.849 3.439 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@](C)(O)c1ccccc1 ZINC000903193493 619733727 /nfs/dbraw/zinc/73/37/27/619733727.db2.gz FBSLODASCXAVAP-SIOWJKJVSA-N 2 1 314.473 3.030 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc2O1 ZINC000903223818 619741733 /nfs/dbraw/zinc/74/17/33/619741733.db2.gz LCTKILCWJQLJLZ-ZEIDCXACSA-N 2 1 312.457 3.257 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000903266455 619749013 /nfs/dbraw/zinc/74/90/13/619749013.db2.gz WHKVHSCHXJIDEL-ZNOIYHFQSA-N 2 1 311.429 3.399 20 0 DGADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000903416835 619773108 /nfs/dbraw/zinc/77/31/08/619773108.db2.gz WIKVVMSLVFZSKC-UTKZUKDTSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000903416835 619773109 /nfs/dbraw/zinc/77/31/09/619773109.db2.gz WIKVVMSLVFZSKC-UTKZUKDTSA-N 2 1 323.484 3.433 20 0 DGADMP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCCC1 ZINC000903419058 619773415 /nfs/dbraw/zinc/77/34/15/619773415.db2.gz RQIALLRFPCJKGA-ZNXRZULTSA-N 2 1 306.494 3.473 20 0 DGADMP C[N@@H+](CCc1ccc(Br)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434307 619774798 /nfs/dbraw/zinc/77/47/98/619774798.db2.gz BJCCRKXRJSXAIN-HIFRSBDPSA-N 2 1 311.267 3.051 20 0 DGADMP FC1(F)[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000903424716 619776853 /nfs/dbraw/zinc/77/68/53/619776853.db2.gz CTNRPGOXUOAIFI-ROUUACIJSA-N 2 1 320.427 3.499 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1F ZINC000903460879 619777017 /nfs/dbraw/zinc/77/70/17/619777017.db2.gz KOIIUWLXTFVXGL-XYPHTWIQSA-N 2 1 324.415 3.134 20 0 DGADMP CCOCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCc2ccccc21 ZINC000903474911 619780077 /nfs/dbraw/zinc/78/00/77/619780077.db2.gz UHAMORDJSSJDLE-HHXXYDBFSA-N 2 1 302.462 3.140 20 0 DGADMP CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903563927 619783579 /nfs/dbraw/zinc/78/35/79/619783579.db2.gz MKZOWRGIGJHJOZ-GOSISDBHSA-N 2 1 302.462 3.112 20 0 DGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722463 619803569 /nfs/dbraw/zinc/80/35/69/619803569.db2.gz BCXWJKYOKMXFML-JLSDUUJJSA-N 2 1 320.864 3.246 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722489 619803728 /nfs/dbraw/zinc/80/37/28/619803728.db2.gz BJZXTTCBXKHMOQ-XOKHGSTOSA-N 2 1 308.853 3.101 20 0 DGADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000903722514 619803820 /nfs/dbraw/zinc/80/38/20/619803820.db2.gz LYBZRFBDLVAZOU-YJBOKZPZSA-N 2 1 320.452 3.367 20 0 DGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723974 619804386 /nfs/dbraw/zinc/80/43/86/619804386.db2.gz KFOVLFBSAXWJCE-SIXWZSSISA-N 2 1 314.429 3.194 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724502 619804536 /nfs/dbraw/zinc/80/45/36/619804536.db2.gz OCQFEQLXNUYONG-KBRIMQKVSA-N 2 1 308.853 3.101 20 0 DGADMP CCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000903724715 619804947 /nfs/dbraw/zinc/80/49/47/619804947.db2.gz QVFRAJCTDOCPOP-SXLOBPIMSA-N 2 1 314.473 3.155 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)[C@@H]1CCC[NH3+] ZINC000903766381 619809583 /nfs/dbraw/zinc/80/95/83/619809583.db2.gz PVZKDWLTLAFYOJ-KBUPBQIOSA-N 2 1 322.415 3.326 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903755741 619810570 /nfs/dbraw/zinc/81/05/70/619810570.db2.gz LFPALRBKRJSZKO-GJZGRUSLSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903755741 619810572 /nfs/dbraw/zinc/81/05/72/619810572.db2.gz LFPALRBKRJSZKO-GJZGRUSLSA-N 2 1 308.853 3.183 20 0 DGADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903784192 619813355 /nfs/dbraw/zinc/81/33/55/619813355.db2.gz KYYBLQGJAUDBNU-RBUKOAKNSA-N 2 1 314.473 3.156 20 0 DGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788363 619814060 /nfs/dbraw/zinc/81/40/60/619814060.db2.gz JAKWHELYJSYHOF-BJLQDIEVSA-N 2 1 314.473 3.023 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc(-n3cccn3)cc2)CCC1 ZINC000903815901 619814539 /nfs/dbraw/zinc/81/45/39/619814539.db2.gz UMTJVTRIVJYZKI-LJQANCHMSA-N 2 1 324.472 3.356 20 0 DGADMP CC(C)(C)n1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810338 619817987 /nfs/dbraw/zinc/81/79/87/619817987.db2.gz BEXQXUWEFGVREZ-INIZCTEOSA-N 2 1 304.482 3.122 20 0 DGADMP CC(C)(C)n1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810338 619817989 /nfs/dbraw/zinc/81/79/89/619817989.db2.gz BEXQXUWEFGVREZ-INIZCTEOSA-N 2 1 304.482 3.122 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000903838244 619821713 /nfs/dbraw/zinc/82/17/13/619821713.db2.gz AIHYXWQROVAFEO-YYTXDEJISA-N 2 1 300.446 3.108 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899136 619830778 /nfs/dbraw/zinc/83/07/78/619830778.db2.gz SJEAPDNZSQOAPL-UYTSQGDYSA-N 2 1 320.864 3.324 20 0 DGADMP C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903910534 619833181 /nfs/dbraw/zinc/83/31/81/619833181.db2.gz NGRXUXMHBIFFER-JVPQYHMTSA-N 2 1 302.437 3.320 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000903955027 619846573 /nfs/dbraw/zinc/84/65/73/619846573.db2.gz YKEPGBONCXJDOJ-VNQPRFMTSA-N 2 1 307.507 3.094 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972389 619847392 /nfs/dbraw/zinc/84/73/92/619847392.db2.gz HOSTXXFDPLKZBT-OALUTQOASA-N 2 1 316.489 3.146 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972930 619847615 /nfs/dbraw/zinc/84/76/15/619847615.db2.gz MIQUHDDRDHUDJZ-PKOBYXMFSA-N 2 1 316.489 3.064 20 0 DGADMP CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337755 619912530 /nfs/dbraw/zinc/91/25/30/619912530.db2.gz HCNMAMKATMNUOF-GSJFWJNXSA-N 2 1 315.230 3.147 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)C1 ZINC000904316126 619912700 /nfs/dbraw/zinc/91/27/00/619912700.db2.gz KUXVZYOMBSPGDT-MAEOIBBWSA-N 2 1 313.420 3.003 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326779 619913701 /nfs/dbraw/zinc/91/37/01/619913701.db2.gz SCSSPHWNZPYGKL-RHSMWYFYSA-N 2 1 307.507 3.404 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326779 619913702 /nfs/dbraw/zinc/91/37/02/619913702.db2.gz SCSSPHWNZPYGKL-RHSMWYFYSA-N 2 1 307.507 3.404 20 0 DGADMP CCC[N@H+](Cc1ccccc1Br)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904336703 619914177 /nfs/dbraw/zinc/91/41/77/619914177.db2.gz JJTLLOIOPFUWGA-XBXGTLAGSA-N 2 1 311.267 3.398 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CCC[NH2+]C1 ZINC000904389017 619917548 /nfs/dbraw/zinc/91/75/48/619917548.db2.gz RCAOHRBKXZEDOW-KSSFIOAISA-N 2 1 319.518 3.201 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CCC[NH2+]C1 ZINC000904389016 619917586 /nfs/dbraw/zinc/91/75/86/619917586.db2.gz RCAOHRBKXZEDOW-KDOFPFPSSA-N 2 1 319.518 3.201 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)CCC[NH2+]C1 ZINC000904376041 619918354 /nfs/dbraw/zinc/91/83/54/619918354.db2.gz KTYNTTMGAFKEGX-LJQANCHMSA-N 2 1 311.429 3.353 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405154 619920109 /nfs/dbraw/zinc/92/01/09/619920109.db2.gz FZWKEXAONHZKIV-JTQLQIEISA-N 2 1 303.233 3.173 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@H]1C[NH3+] ZINC000904412381 619920957 /nfs/dbraw/zinc/92/09/57/619920957.db2.gz UQQYJONEMGPSIX-ZFWWWQNUSA-N 2 1 301.459 3.227 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852564132 620630108 /nfs/dbraw/zinc/63/01/08/620630108.db2.gz DYHKVGRCZSGJCY-HHXXYDBFSA-N 2 1 312.461 3.224 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852567167 620630878 /nfs/dbraw/zinc/63/08/78/620630878.db2.gz QPHKJNSXMXLYBQ-HKUYNNGSSA-N 2 1 312.461 3.368 20 0 DGADMP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000921560353 620909624 /nfs/dbraw/zinc/90/96/24/620909624.db2.gz AMGFDJFXSCELKG-HZPDHXFCSA-N 2 1 316.474 3.340 20 0 DGADMP Cn1nc2c(c1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1)CCC2 ZINC000922014381 620980259 /nfs/dbraw/zinc/98/02/59/620980259.db2.gz GFELVECNIZUQRH-UHFFFAOYSA-N 2 1 318.509 3.043 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(C)(C)C)C2)ccn1 ZINC000856551037 621004778 /nfs/dbraw/zinc/00/47/78/621004778.db2.gz JIRQBRVJKCWAMY-SFHVURJKSA-N 2 1 319.493 3.423 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(C)(C)C)C2)ccn1 ZINC000856551037 621004783 /nfs/dbraw/zinc/00/47/83/621004783.db2.gz JIRQBRVJKCWAMY-SFHVURJKSA-N 2 1 319.493 3.423 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(C)(C)C)C2)ccn1 ZINC000856551037 621004785 /nfs/dbraw/zinc/00/47/85/621004785.db2.gz JIRQBRVJKCWAMY-SFHVURJKSA-N 2 1 319.493 3.423 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccnn2C2CCC2)[C@H](c2ccccc2)C1 ZINC000922211299 621005856 /nfs/dbraw/zinc/00/58/56/621005856.db2.gz BZSITOKYHXIEOD-XLIONFOSSA-N 2 1 324.472 3.043 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccnn2C2CCC2)[C@H](c2ccccc2)C1 ZINC000922211299 621005860 /nfs/dbraw/zinc/00/58/60/621005860.db2.gz BZSITOKYHXIEOD-XLIONFOSSA-N 2 1 324.472 3.043 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCCCF)C2)ccn1 ZINC000856584378 621006259 /nfs/dbraw/zinc/00/62/59/621006259.db2.gz IVIXAHREGGBDAB-GOSISDBHSA-N 2 1 323.456 3.126 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCCCF)C2)ccn1 ZINC000856584378 621006262 /nfs/dbraw/zinc/00/62/62/621006262.db2.gz IVIXAHREGGBDAB-GOSISDBHSA-N 2 1 323.456 3.126 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCCF)C2)ccn1 ZINC000856584378 621006264 /nfs/dbraw/zinc/00/62/64/621006264.db2.gz IVIXAHREGGBDAB-GOSISDBHSA-N 2 1 323.456 3.126 20 0 DGADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\Cl)C2)ccn1 ZINC000856597207 621007182 /nfs/dbraw/zinc/00/71/82/621007182.db2.gz FRFQGAYTKCPKNI-DANOYGIBSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\Cl)C2)ccn1 ZINC000856597207 621007185 /nfs/dbraw/zinc/00/71/85/621007185.db2.gz FRFQGAYTKCPKNI-DANOYGIBSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C\Cl)C2)ccn1 ZINC000856597207 621007189 /nfs/dbraw/zinc/00/71/89/621007189.db2.gz FRFQGAYTKCPKNI-DANOYGIBSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C\Cl)C2)ccn1 ZINC000856597207 621007191 /nfs/dbraw/zinc/00/71/91/621007191.db2.gz FRFQGAYTKCPKNI-DANOYGIBSA-N 2 1 323.868 3.127 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000922511168 621049049 /nfs/dbraw/zinc/04/90/49/621049049.db2.gz WZUOYBCICFTQQG-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1(C)C ZINC000858127981 621155572 /nfs/dbraw/zinc/15/55/72/621155572.db2.gz XFKPRMCSGOVXFN-SFHVURJKSA-N 3 1 309.542 3.495 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1(C)C ZINC000858127981 621155573 /nfs/dbraw/zinc/15/55/73/621155573.db2.gz XFKPRMCSGOVXFN-SFHVURJKSA-N 2 1 309.542 3.495 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000858157116 621159877 /nfs/dbraw/zinc/15/98/77/621159877.db2.gz CZSVQXKIJNCQTP-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000923297776 621173033 /nfs/dbraw/zinc/17/30/33/621173033.db2.gz PXDKYSULNUXALT-GJZGRUSLSA-N 2 1 318.383 3.044 20 0 DGADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000923313583 621174191 /nfs/dbraw/zinc/17/41/91/621174191.db2.gz GNFRCNRIUUATKJ-JDEPASAKSA-N 2 1 320.521 3.433 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)sc1C(C)(C)C ZINC000923332789 621176379 /nfs/dbraw/zinc/17/63/79/621176379.db2.gz NPWFDVBXJMUYQP-BFHYXJOUSA-N 2 1 307.507 3.308 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)sc1C(C)(C)C ZINC000923332789 621176381 /nfs/dbraw/zinc/17/63/81/621176381.db2.gz NPWFDVBXJMUYQP-BFHYXJOUSA-N 2 1 307.507 3.308 20 0 DGADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)sc1C(C)(C)C ZINC000923333851 621176399 /nfs/dbraw/zinc/17/63/99/621176399.db2.gz YCBHALSPRVCYIS-UHFFFAOYSA-N 2 1 307.507 3.325 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000923359859 621179434 /nfs/dbraw/zinc/17/94/34/621179434.db2.gz WCMFPLIIAUCKJH-CABCVRRESA-N 2 1 305.466 3.184 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000923359860 621179453 /nfs/dbraw/zinc/17/94/53/621179453.db2.gz WCMFPLIIAUCKJH-GJZGRUSLSA-N 2 1 305.466 3.184 20 0 DGADMP Clc1ccccc1OC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923369437 621179622 /nfs/dbraw/zinc/17/96/22/621179622.db2.gz KLCHKQQKZJWJGD-UHFFFAOYSA-N 2 1 308.853 3.325 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000923359862 621179631 /nfs/dbraw/zinc/17/96/31/621179631.db2.gz WCMFPLIIAUCKJH-LSDHHAIUSA-N 2 1 305.466 3.184 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1OCCc2sccc21 ZINC000923428413 621183556 /nfs/dbraw/zinc/18/35/56/621183556.db2.gz YONQODGSZUXMAN-BTFYYFJDSA-N 2 1 320.502 3.214 20 0 DGADMP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](CC[NH3+])C3)n2)cc1 ZINC000923490680 621187916 /nfs/dbraw/zinc/18/79/16/621187916.db2.gz VQQRVPZEXVKTNA-AWEZNQCLSA-N 2 1 314.433 3.031 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)o1 ZINC000923494852 621187964 /nfs/dbraw/zinc/18/79/64/621187964.db2.gz PJFRDJQLHITDRC-YPMHNXCESA-N 2 1 305.447 3.128 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923498927 621188551 /nfs/dbraw/zinc/18/85/51/621188551.db2.gz JCHHRXCBEFXQLD-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498917 621188711 /nfs/dbraw/zinc/18/87/11/621188711.db2.gz QTSOZHDIHTZQPY-UPJWGTAASA-N 2 1 311.267 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923500853 621189247 /nfs/dbraw/zinc/18/92/47/621189247.db2.gz POEMYMMKKTYLTP-ZBFHGGJFSA-N 2 1 315.486 3.151 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1C[NH3+] ZINC000923500471 621189254 /nfs/dbraw/zinc/18/92/54/621189254.db2.gz RFTIITYKQWQCMW-QWRGUYRKSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1C[NH3+] ZINC000923499986 621189353 /nfs/dbraw/zinc/18/93/53/621189353.db2.gz PQWLDYGCFDLLQE-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923500851 621189405 /nfs/dbraw/zinc/18/94/05/621189405.db2.gz POEMYMMKKTYLTP-HOCLYGCPSA-N 2 1 315.486 3.151 20 0 DGADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923506520 621189851 /nfs/dbraw/zinc/18/98/51/621189851.db2.gz JFKYCGFVEYYUME-OAHLLOKOSA-N 2 1 305.466 3.400 20 0 DGADMP C[C@H]1C[C@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000858439984 621191200 /nfs/dbraw/zinc/19/12/00/621191200.db2.gz VDWZFDKVCGYFPX-MAUKXSAKSA-N 2 1 311.429 3.039 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492333 621214535 /nfs/dbraw/zinc/21/45/35/621214535.db2.gz HTDSLEUESWMYGW-MJGOQNOKSA-N 2 1 303.494 3.177 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463549 621512078 /nfs/dbraw/zinc/51/20/78/621512078.db2.gz KUQWTPBHKDPNHJ-MBOZVWFJSA-N 2 1 316.489 3.271 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464776 621512193 /nfs/dbraw/zinc/51/21/93/621512193.db2.gz LXLWVYTTZICYNB-AVGNSLFASA-N 2 1 305.293 3.423 20 0 DGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCOCC2)cc1 ZINC000754792430 621533376 /nfs/dbraw/zinc/53/33/76/621533376.db2.gz BLMYWIYLBNTRJN-UFYCRDLUSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(SC(F)F)cc1 ZINC000863540527 621681949 /nfs/dbraw/zinc/68/19/49/621681949.db2.gz FNDWYNLZDHYLQP-LLVKDONJSA-N 2 1 316.417 3.160 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000863569208 621684020 /nfs/dbraw/zinc/68/40/20/621684020.db2.gz RJRRRICACABMMG-GFCCVEGCSA-N 2 1 304.356 3.143 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865601060 621959606 /nfs/dbraw/zinc/95/96/06/621959606.db2.gz XOFOOKMBQSNYCN-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865641048 621969566 /nfs/dbraw/zinc/96/95/66/621969566.db2.gz RULRJYUCVDKDTO-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876566 622013593 /nfs/dbraw/zinc/01/35/93/622013593.db2.gz KWVIRMBQUAJGLK-BHIYHBOVSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876566 622013595 /nfs/dbraw/zinc/01/35/95/622013595.db2.gz KWVIRMBQUAJGLK-BHIYHBOVSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000866262946 622079323 /nfs/dbraw/zinc/07/93/23/622079323.db2.gz JDRALCIXYMHQEH-IRXDYDNUSA-N 2 1 311.473 3.487 20 0 DGADMP F[C@@H]1COc2ccccc2[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000866364998 622103449 /nfs/dbraw/zinc/10/34/49/622103449.db2.gz UMDMSMMTYRUHDE-AEFFLSMTSA-N 2 1 306.425 3.314 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(OC)c1OC ZINC000866390663 622109226 /nfs/dbraw/zinc/10/92/26/622109226.db2.gz PXNHJGCXZNIONU-HOCLYGCPSA-N 2 1 306.450 3.229 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(OC)c1OC ZINC000866390663 622109227 /nfs/dbraw/zinc/10/92/27/622109227.db2.gz PXNHJGCXZNIONU-HOCLYGCPSA-N 2 1 306.450 3.229 20 0 DGADMP C([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393979 622110016 /nfs/dbraw/zinc/11/00/16/622110016.db2.gz UKXBVUZIPSPGAS-WDSOQIARSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(F)c3)CC2)C1 ZINC000866472875 622123692 /nfs/dbraw/zinc/12/36/92/622123692.db2.gz FWJABWGFNPJZEG-YOEHRIQHSA-N 2 1 305.441 3.353 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@H](C)C1 ZINC000866543080 622135892 /nfs/dbraw/zinc/13/58/92/622135892.db2.gz REQUTCSGUZRDES-CABCVRRESA-N 2 1 320.468 3.394 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559925 622137844 /nfs/dbraw/zinc/13/78/44/622137844.db2.gz JALVGVNGSFJXKD-APWZRJJASA-N 3 1 307.526 3.103 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559925 622137847 /nfs/dbraw/zinc/13/78/47/622137847.db2.gz JALVGVNGSFJXKD-APWZRJJASA-N 3 1 307.526 3.103 20 0 DGADMP COc1cccc(-c2nc(C[N@@H+](C)C3CCC([NH3+])CC3)co2)c1 ZINC000866661095 622153932 /nfs/dbraw/zinc/15/39/32/622153932.db2.gz LNVVIJSYFXEQAM-UHFFFAOYSA-N 2 1 315.417 3.052 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1Cl ZINC000866666296 622154254 /nfs/dbraw/zinc/15/42/54/622154254.db2.gz PNCRCYVUDWSPGP-GJZGRUSLSA-N 2 1 307.869 3.255 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000866717337 622159605 /nfs/dbraw/zinc/15/96/05/622159605.db2.gz BZJCTCIRBZMDDR-IAGOWNOFSA-N 2 1 302.462 3.264 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000765546579 622272448 /nfs/dbraw/zinc/27/24/48/622272448.db2.gz RJUQLADQIBOVSF-KBXCAEBGSA-N 2 1 311.429 3.164 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000765977587 622298193 /nfs/dbraw/zinc/29/81/93/622298193.db2.gz QSJARESISCRPGY-HZPDHXFCSA-N 2 1 308.491 3.432 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514831 622536906 /nfs/dbraw/zinc/53/69/06/622536906.db2.gz LSGKKSXLPKANLQ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514831 622536908 /nfs/dbraw/zinc/53/69/08/622536908.db2.gz LSGKKSXLPKANLQ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769514831 622536910 /nfs/dbraw/zinc/53/69/10/622536910.db2.gz LSGKKSXLPKANLQ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769514831 622536912 /nfs/dbraw/zinc/53/69/12/622536912.db2.gz LSGKKSXLPKANLQ-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP [NH3+][C@H](C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1)C1CCCC1 ZINC000871667754 622662117 /nfs/dbraw/zinc/66/21/17/622662117.db2.gz PPPFTRPDGGBHGO-CZUORRHYSA-N 2 1 313.449 3.082 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1)C1CCCC1 ZINC000871667755 622662130 /nfs/dbraw/zinc/66/21/30/622662130.db2.gz PPPFTRPDGGBHGO-XJKSGUPXSA-N 2 1 313.449 3.082 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872020471 622755163 /nfs/dbraw/zinc/75/51/63/622755163.db2.gz IIHYQANYSNVNOW-WOJBJXKFSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872020471 622755168 /nfs/dbraw/zinc/75/51/68/622755168.db2.gz IIHYQANYSNVNOW-WOJBJXKFSA-N 2 1 316.489 3.230 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026368 622759765 /nfs/dbraw/zinc/75/97/65/622759765.db2.gz DYLGAMOCKONWHB-XDNAFOTISA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026368 622759773 /nfs/dbraw/zinc/75/97/73/622759773.db2.gz DYLGAMOCKONWHB-XDNAFOTISA-N 2 1 308.510 3.434 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2S1 ZINC000872029287 622761696 /nfs/dbraw/zinc/76/16/96/622761696.db2.gz VWNRDGHFUGKILF-GOEBONIOSA-N 2 1 320.502 3.048 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCCOC1 ZINC000872060126 622782572 /nfs/dbraw/zinc/78/25/72/622782572.db2.gz MHSBFFCMHVOFMZ-MTNOOBJLSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000872066803 622786880 /nfs/dbraw/zinc/78/68/80/622786880.db2.gz QTDMBSAUDYBPIO-KGLIPLIRSA-N 2 1 310.404 3.198 20 0 DGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000872066803 622786883 /nfs/dbraw/zinc/78/68/83/622786883.db2.gz QTDMBSAUDYBPIO-KGLIPLIRSA-N 2 1 310.404 3.198 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872067389 622787255 /nfs/dbraw/zinc/78/72/55/622787255.db2.gz QISPEMUUUHTEIY-UFYCRDLUSA-N 2 1 316.489 3.303 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000872087147 622797075 /nfs/dbraw/zinc/79/70/75/622797075.db2.gz GIXDBRXUBSHKFJ-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131308 622825099 /nfs/dbraw/zinc/82/50/99/622825099.db2.gz ZORUDXARJQPXOD-MRVWCRGKSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131308 622825102 /nfs/dbraw/zinc/82/51/02/622825102.db2.gz ZORUDXARJQPXOD-MRVWCRGKSA-N 2 1 313.367 3.378 20 0 DGADMP Cc1conc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000872144157 622831239 /nfs/dbraw/zinc/83/12/39/622831239.db2.gz WCQNHMGCDGAJCF-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1conc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000872144157 622831249 /nfs/dbraw/zinc/83/12/49/622831249.db2.gz WCQNHMGCDGAJCF-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP FC(F)(F)c1coc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000872143058 622831795 /nfs/dbraw/zinc/83/17/95/622831795.db2.gz KIFZKPVVCKWTNU-GFCCVEGCSA-N 2 1 302.340 3.120 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146791 622832740 /nfs/dbraw/zinc/83/27/40/622832740.db2.gz XKLKGWHDTGMSRF-HOTGVXAUSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146791 622832746 /nfs/dbraw/zinc/83/27/46/622832746.db2.gz XKLKGWHDTGMSRF-HOTGVXAUSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146791 622832753 /nfs/dbraw/zinc/83/27/53/622832753.db2.gz XKLKGWHDTGMSRF-HOTGVXAUSA-N 2 1 304.482 3.102 20 0 DGADMP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000872155108 622834533 /nfs/dbraw/zinc/83/45/33/622834533.db2.gz CMPJIIAIOJXYHE-UHFFFAOYSA-N 2 1 309.401 3.421 20 0 DGADMP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872155222 622834561 /nfs/dbraw/zinc/83/45/61/622834561.db2.gz OHSJTPMLRGLJAY-CQSZACIVSA-N 2 1 323.506 3.186 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000872155495 622836338 /nfs/dbraw/zinc/83/63/38/622836338.db2.gz UYTJKPDYNMWUFK-UHFFFAOYSA-N 2 1 322.840 3.341 20 0 DGADMP Cc1noc([C@H](C)[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156307 622837400 /nfs/dbraw/zinc/83/74/00/622837400.db2.gz HQNOJXGHUDWRRV-DUVNUKRYSA-N 2 1 306.454 3.059 20 0 DGADMP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155280 622837551 /nfs/dbraw/zinc/83/75/51/622837551.db2.gz QFKVVNHBQOMNLX-CQSZACIVSA-N 2 1 323.506 3.186 20 0 DGADMP CC(C)c1ccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872155476 622837624 /nfs/dbraw/zinc/83/76/24/622837624.db2.gz UGQFAZDZSKTHSD-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000872157564 622838115 /nfs/dbraw/zinc/83/81/15/622838115.db2.gz PRRGIPAQROCVNT-AZUAARDMSA-N 3 1 321.553 3.482 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157564 622838120 /nfs/dbraw/zinc/83/81/20/622838120.db2.gz PRRGIPAQROCVNT-AZUAARDMSA-N 2 1 321.553 3.482 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157564 622838124 /nfs/dbraw/zinc/83/81/24/622838124.db2.gz PRRGIPAQROCVNT-AZUAARDMSA-N 2 1 321.553 3.482 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158009 622840339 /nfs/dbraw/zinc/84/03/39/622840339.db2.gz RMVHAFAZYWKSQV-HKUYNNGSSA-N 2 1 318.509 3.120 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC(C)(C)C)[C@@H](C)C1 ZINC000772950242 622956780 /nfs/dbraw/zinc/95/67/80/622956780.db2.gz HENWGQTVFQUDIN-JKSUJKDBSA-N 2 1 316.555 3.245 20 0 DGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203534 623074438 /nfs/dbraw/zinc/07/44/38/623074438.db2.gz HPECRCHKZWQLHU-UHFFFAOYSA-N 2 1 304.434 3.207 20 0 DGADMP CC[C@@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1nccs1 ZINC000873206821 623074721 /nfs/dbraw/zinc/07/47/21/623074721.db2.gz LQEAQTJWCXHXKD-OAHLLOKOSA-N 2 1 307.488 3.265 20 0 DGADMP Oc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873208490 623075811 /nfs/dbraw/zinc/07/58/11/623075811.db2.gz OYCVRTTUOSAZRD-KRWDZBQOSA-N 2 1 314.454 3.437 20 0 DGADMP c1c(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)sc2c1C[NH2+]CC2 ZINC000873208957 623075959 /nfs/dbraw/zinc/07/59/59/623075959.db2.gz ZJXCICWGPOFERX-KKNUOHPOSA-N 2 1 302.487 3.404 20 0 DGADMP CCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227109 623081272 /nfs/dbraw/zinc/08/12/72/623081272.db2.gz HENGGNQITGXSLS-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227109 623081276 /nfs/dbraw/zinc/08/12/76/623081276.db2.gz HENGGNQITGXSLS-DZGCQCFKSA-N 2 1 316.367 3.044 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873224272 623081677 /nfs/dbraw/zinc/08/16/77/623081677.db2.gz ZDFDJOAZEOCMSC-IBGZPJMESA-N 2 1 320.477 3.209 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2n1 ZINC000873227540 623082479 /nfs/dbraw/zinc/08/24/79/623082479.db2.gz JBTCBJRLAKNNJD-HUUCEWRRSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2n1 ZINC000873227540 623082485 /nfs/dbraw/zinc/08/24/85/623082485.db2.gz JBTCBJRLAKNNJD-HUUCEWRRSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1Oc1cccnc1 ZINC000873229345 623082561 /nfs/dbraw/zinc/08/25/61/623082561.db2.gz UJLJJIPVUCKCTL-FXAWDEMLSA-N 2 1 323.440 3.224 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1Oc1cccnc1 ZINC000873229345 623082566 /nfs/dbraw/zinc/08/25/66/623082566.db2.gz UJLJJIPVUCKCTL-FXAWDEMLSA-N 2 1 323.440 3.224 20 0 DGADMP CC[C@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000873229154 623082711 /nfs/dbraw/zinc/08/27/11/623082711.db2.gz YENXWZJRBQTJET-SNPRPXQTSA-N 2 1 300.368 3.249 20 0 DGADMP CCn1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232697 623085979 /nfs/dbraw/zinc/08/59/79/623085979.db2.gz WTXVTCOBKVVIMR-QAPCUYQASA-N 2 1 304.482 3.023 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000774408998 623141266 /nfs/dbraw/zinc/14/12/66/623141266.db2.gz LAQWQTAKCGWHRJ-XUVXKRRUSA-N 2 1 316.489 3.399 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000774408998 623141267 /nfs/dbraw/zinc/14/12/67/623141267.db2.gz LAQWQTAKCGWHRJ-XUVXKRRUSA-N 2 1 316.489 3.399 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774982180 623213700 /nfs/dbraw/zinc/21/37/00/623213700.db2.gz CYYWTFDTCWPRAU-UHFFFAOYSA-N 2 1 308.223 3.052 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[NH+]1CCCC1 ZINC000775362739 623260578 /nfs/dbraw/zinc/26/05/78/623260578.db2.gz IEANMSGHTCLWCB-QXSJWSMHSA-N 2 1 314.564 3.076 20 0 DGADMP COc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1F ZINC000125453955 623460206 /nfs/dbraw/zinc/46/02/06/623460206.db2.gz NJJPTNSLQLXEJH-UHFFFAOYSA-N 2 1 305.397 3.251 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1F ZINC000125453955 623460212 /nfs/dbraw/zinc/46/02/12/623460212.db2.gz NJJPTNSLQLXEJH-UHFFFAOYSA-N 2 1 305.397 3.251 20 0 DGADMP CO[C@H](C)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692922 623556800 /nfs/dbraw/zinc/55/68/00/623556800.db2.gz GPAPQSSIGAAHNH-HZPDHXFCSA-N 2 1 319.493 3.300 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000125911677 623596979 /nfs/dbraw/zinc/59/69/79/623596979.db2.gz VGOKQNCMMTUCGR-SWLSCSKDSA-N 2 1 305.853 3.436 20 0 DGADMP Cc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000876812764 623713273 /nfs/dbraw/zinc/71/32/73/623713273.db2.gz YHOOTAYUIHOSKI-RYQLBKOJSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000876812764 623713279 /nfs/dbraw/zinc/71/32/79/623713279.db2.gz YHOOTAYUIHOSKI-RYQLBKOJSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000876915961 623743787 /nfs/dbraw/zinc/74/37/87/623743787.db2.gz GDAQWMQAUPQOSW-SJORKVTESA-N 2 1 315.461 3.413 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876990257 623761548 /nfs/dbraw/zinc/76/15/48/623761548.db2.gz VSYZIWNSZLDPIY-YZGWKJHDSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876990257 623761550 /nfs/dbraw/zinc/76/15/50/623761550.db2.gz VSYZIWNSZLDPIY-YZGWKJHDSA-N 2 1 316.489 3.351 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000877015472 623766530 /nfs/dbraw/zinc/76/65/30/623766530.db2.gz QVAQLZXILLOJKS-XOBRGWDASA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000877015472 623766534 /nfs/dbraw/zinc/76/65/34/623766534.db2.gz QVAQLZXILLOJKS-XOBRGWDASA-N 2 1 304.415 3.173 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(Cl)nn1 ZINC000877525299 623925038 /nfs/dbraw/zinc/92/50/38/623925038.db2.gz YHESLIHIFNHVOC-UHFFFAOYSA-N 2 1 318.852 3.214 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(Cl)nn1 ZINC000877525299 623925039 /nfs/dbraw/zinc/92/50/39/623925039.db2.gz YHESLIHIFNHVOC-UHFFFAOYSA-N 2 1 318.852 3.214 20 0 DGADMP COCC[N@H+](Cc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000877665341 623984055 /nfs/dbraw/zinc/98/40/55/623984055.db2.gz RQMGBMGGLVESQA-UHFFFAOYSA-N 2 1 310.869 3.130 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1csc(C3CC3)n1)CC2 ZINC000877683943 623991133 /nfs/dbraw/zinc/99/11/33/623991133.db2.gz CMQPSDYNYSXWKJ-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744459 624016698 /nfs/dbraw/zinc/01/66/98/624016698.db2.gz TYVSQMOFCDPIMZ-RTBURBONSA-N 2 1 313.489 3.203 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744459 624016700 /nfs/dbraw/zinc/01/67/00/624016700.db2.gz TYVSQMOFCDPIMZ-RTBURBONSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744459 624016703 /nfs/dbraw/zinc/01/67/03/624016703.db2.gz TYVSQMOFCDPIMZ-RTBURBONSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744459 624016705 /nfs/dbraw/zinc/01/67/05/624016705.db2.gz TYVSQMOFCDPIMZ-RTBURBONSA-N 2 1 313.489 3.203 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744456 624017249 /nfs/dbraw/zinc/01/72/49/624017249.db2.gz TYVSQMOFCDPIMZ-MOPGFXCFSA-N 2 1 313.489 3.203 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744456 624017255 /nfs/dbraw/zinc/01/72/55/624017255.db2.gz TYVSQMOFCDPIMZ-MOPGFXCFSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744456 624017258 /nfs/dbraw/zinc/01/72/58/624017258.db2.gz TYVSQMOFCDPIMZ-MOPGFXCFSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000877744456 624017262 /nfs/dbraw/zinc/01/72/62/624017262.db2.gz TYVSQMOFCDPIMZ-MOPGFXCFSA-N 2 1 313.489 3.203 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743265 624017491 /nfs/dbraw/zinc/01/74/91/624017491.db2.gz UZDGNKIVPMMIGJ-TWIOFQITSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743265 624017492 /nfs/dbraw/zinc/01/74/92/624017492.db2.gz UZDGNKIVPMMIGJ-TWIOFQITSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743265 624017493 /nfs/dbraw/zinc/01/74/93/624017493.db2.gz UZDGNKIVPMMIGJ-TWIOFQITSA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743265 624017496 /nfs/dbraw/zinc/01/74/96/624017496.db2.gz UZDGNKIVPMMIGJ-TWIOFQITSA-N 2 1 314.473 3.262 20 0 DGADMP CC(C)C[N@H+](Cc1cnc2ccccn12)CC1CC[NH+](C)CC1 ZINC000877767881 624028539 /nfs/dbraw/zinc/02/85/39/624028539.db2.gz XWWOPTJISHUERR-UHFFFAOYSA-N 2 1 314.477 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000878163557 624196274 /nfs/dbraw/zinc/19/62/74/624196274.db2.gz UIWKNWDTYMKXAI-YSHGAJCASA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[N@H+]1C ZINC000878163557 624196277 /nfs/dbraw/zinc/19/62/77/624196277.db2.gz UIWKNWDTYMKXAI-YSHGAJCASA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163557 624196280 /nfs/dbraw/zinc/19/62/80/624196280.db2.gz UIWKNWDTYMKXAI-YSHGAJCASA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163557 624196283 /nfs/dbraw/zinc/19/62/83/624196283.db2.gz UIWKNWDTYMKXAI-YSHGAJCASA-N 2 1 302.462 3.321 20 0 DGADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878285553 624236035 /nfs/dbraw/zinc/23/60/35/624236035.db2.gz BZOZEMUYMUNVSQ-KBAYOESNSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@H]1CCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285553 624236038 /nfs/dbraw/zinc/23/60/38/624236038.db2.gz BZOZEMUYMUNVSQ-KBAYOESNSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@H]1CCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285553 624236040 /nfs/dbraw/zinc/23/60/40/624236040.db2.gz BZOZEMUYMUNVSQ-KBAYOESNSA-N 2 1 304.478 3.037 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878287499 624236967 /nfs/dbraw/zinc/23/69/67/624236967.db2.gz FGIWJCDQSXPSPF-MOPGFXCFSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878287499 624236971 /nfs/dbraw/zinc/23/69/71/624236971.db2.gz FGIWJCDQSXPSPF-MOPGFXCFSA-N 2 1 313.445 3.434 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1)CC1CC1 ZINC000878338847 624248753 /nfs/dbraw/zinc/24/87/53/624248753.db2.gz CWBDIGXXUQBIFC-KDURUIRLSA-N 2 1 308.510 3.245 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H](O)C(C)C)CC1)CC1CC1 ZINC000878340043 624249018 /nfs/dbraw/zinc/24/90/18/624249018.db2.gz OLXQEEJUDMBSEC-LJQANCHMSA-N 2 1 310.526 3.227 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(CCc3ccccc3Br)C2)C1 ZINC000878645238 624329376 /nfs/dbraw/zinc/32/93/76/624329376.db2.gz INFCRXBZMORKKM-MRXNPFEDSA-N 2 1 323.278 3.019 20 0 DGADMP CC1(C)CC[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)OC1 ZINC000878668294 624336191 /nfs/dbraw/zinc/33/61/91/624336191.db2.gz RCYAGIPKVHCWEE-IBGZPJMESA-N 2 1 316.489 3.446 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489789 624357769 /nfs/dbraw/zinc/35/77/69/624357769.db2.gz FULKWYINZFOVMS-GOSISDBHSA-N 2 1 320.477 3.223 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489789 624357773 /nfs/dbraw/zinc/35/77/73/624357773.db2.gz FULKWYINZFOVMS-GOSISDBHSA-N 2 1 320.477 3.223 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489789 624357776 /nfs/dbraw/zinc/35/77/76/624357776.db2.gz FULKWYINZFOVMS-GOSISDBHSA-N 2 1 320.477 3.223 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000783489789 624357779 /nfs/dbraw/zinc/35/77/79/624357779.db2.gz FULKWYINZFOVMS-GOSISDBHSA-N 2 1 320.477 3.223 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000783493134 624358399 /nfs/dbraw/zinc/35/83/99/624358399.db2.gz QTFGIWRDZUXEBN-WMZOPIPTSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000783493134 624358403 /nfs/dbraw/zinc/35/84/03/624358403.db2.gz QTFGIWRDZUXEBN-WMZOPIPTSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000783493134 624358406 /nfs/dbraw/zinc/35/84/06/624358406.db2.gz QTFGIWRDZUXEBN-WMZOPIPTSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000783493134 624358411 /nfs/dbraw/zinc/35/84/11/624358411.db2.gz QTFGIWRDZUXEBN-WMZOPIPTSA-N 2 1 320.477 3.364 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C(C)(C)C)on1)CC2 ZINC000879250840 624464001 /nfs/dbraw/zinc/46/40/01/624464001.db2.gz JVLCLAMLSAKDOU-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573269 624596375 /nfs/dbraw/zinc/59/63/75/624596375.db2.gz VVTGRDIAZCOCGW-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573269 624596379 /nfs/dbraw/zinc/59/63/79/624596379.db2.gz VVTGRDIAZCOCGW-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573269 624596382 /nfs/dbraw/zinc/59/63/82/624596382.db2.gz VVTGRDIAZCOCGW-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573269 624596386 /nfs/dbraw/zinc/59/63/86/624596386.db2.gz VVTGRDIAZCOCGW-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573902 624596732 /nfs/dbraw/zinc/59/67/32/624596732.db2.gz UGVLZIQGNFUWNJ-ROUUACIJSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573902 624596736 /nfs/dbraw/zinc/59/67/36/624596736.db2.gz UGVLZIQGNFUWNJ-ROUUACIJSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573902 624596742 /nfs/dbraw/zinc/59/67/42/624596742.db2.gz UGVLZIQGNFUWNJ-ROUUACIJSA-N 2 1 302.462 3.098 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578100 624597596 /nfs/dbraw/zinc/59/75/96/624597596.db2.gz ATYODKDCQCUABM-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578100 624597602 /nfs/dbraw/zinc/59/76/02/624597602.db2.gz ATYODKDCQCUABM-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578100 624597605 /nfs/dbraw/zinc/59/76/05/624597605.db2.gz ATYODKDCQCUABM-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCSc3cccc(Cl)c3)CC[C@H]21 ZINC000879578100 624597608 /nfs/dbraw/zinc/59/76/08/624597608.db2.gz ATYODKDCQCUABM-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578695 624598352 /nfs/dbraw/zinc/59/83/52/624598352.db2.gz VMVIIZMBYBFUEJ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578695 624598354 /nfs/dbraw/zinc/59/83/54/624598354.db2.gz VMVIIZMBYBFUEJ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578695 624598357 /nfs/dbraw/zinc/59/83/57/624598357.db2.gz VMVIIZMBYBFUEJ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578695 624598360 /nfs/dbraw/zinc/59/83/60/624598360.db2.gz VMVIIZMBYBFUEJ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP CC(C)C[N@@H+](C[C@H]1CCC2(CCC2)O1)CC1CC[NH+](C)CC1 ZINC000879704201 624645588 /nfs/dbraw/zinc/64/55/88/624645588.db2.gz AXTUGYLLMCQOAG-GOSISDBHSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)(O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000880149067 624810182 /nfs/dbraw/zinc/81/01/82/624810182.db2.gz UHUWWTCGYNSHTM-LJQANCHMSA-N 2 1 316.489 3.265 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCc2ccncc2)CC1 ZINC000880255768 624873725 /nfs/dbraw/zinc/87/37/25/624873725.db2.gz XSDICHSSKVECEH-UHFFFAOYSA-N 2 1 301.478 3.355 20 0 DGADMP FC[C@H]1CC[NH+](CC(C[N@@H+]2CC[C@H](CF)C2)c2ccccc2)C1 ZINC000880301458 624902146 /nfs/dbraw/zinc/90/21/46/624902146.db2.gz RAGMXIXSLWARFF-IAGOWNOFSA-N 2 1 322.443 3.353 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](CO)c1ccccc1 ZINC000880463248 624962143 /nfs/dbraw/zinc/96/21/43/624962143.db2.gz MNNUSRKEQZQVAP-GOSISDBHSA-N 2 1 301.434 3.027 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](CO)c1ccccc1 ZINC000880463248 624962146 /nfs/dbraw/zinc/96/21/46/624962146.db2.gz MNNUSRKEQZQVAP-GOSISDBHSA-N 2 1 301.434 3.027 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1(Br)CC1 ZINC000880516975 624971370 /nfs/dbraw/zinc/97/13/70/624971370.db2.gz GOODPAWIMKJOEX-UHFFFAOYSA-N 2 1 303.288 3.112 20 0 DGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880579459 624983435 /nfs/dbraw/zinc/98/34/35/624983435.db2.gz WYCZHGUVWMMUCA-IBGZPJMESA-N 2 1 308.510 3.391 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000788479645 625193733 /nfs/dbraw/zinc/19/37/33/625193733.db2.gz YRJRMHPHTITZPY-KRWDZBQOSA-N 2 1 308.853 3.055 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000788489328 625195835 /nfs/dbraw/zinc/19/58/35/625195835.db2.gz XJMDINTVFYJOTC-HXUWFJFHSA-N 2 1 309.457 3.235 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCC1 ZINC000788779987 625265227 /nfs/dbraw/zinc/26/52/27/625265227.db2.gz ABTLFFPCQWVAMV-CQSZACIVSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000788816132 625273623 /nfs/dbraw/zinc/27/36/23/625273623.db2.gz QAMKNAOYIXMFAQ-SXLOBPIMSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)c1c[nH]c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000882892772 625848375 /nfs/dbraw/zinc/84/83/75/625848375.db2.gz FOEBYRIOZHAACT-IYBDPMFKSA-N 2 1 306.498 3.381 20 0 DGADMP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000882993099 625889380 /nfs/dbraw/zinc/88/93/80/625889380.db2.gz HLRXQNGQCXMWGS-PIIMJCKOSA-N 2 1 306.494 3.190 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883167468 625950959 /nfs/dbraw/zinc/95/09/59/625950959.db2.gz YWKYCZUGKOFMKQ-LJQANCHMSA-N 2 1 320.452 3.367 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC(C)(C)CC[C@@H]2C)CC1 ZINC000883172435 625953097 /nfs/dbraw/zinc/95/30/97/625953097.db2.gz HEBRNGHCWXTNLS-ROUUACIJSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883182626 625958320 /nfs/dbraw/zinc/95/83/20/625958320.db2.gz HDIQUEYFDCZECH-GOSISDBHSA-N 2 1 317.408 3.088 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883188533 625962512 /nfs/dbraw/zinc/96/25/12/625962512.db2.gz LQVQZXTUTBWCGN-DNVCBOLYSA-N 2 1 320.452 3.225 20 0 DGADMP Cc1ccccc1[C@@H](O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000796419718 626048515 /nfs/dbraw/zinc/04/85/15/626048515.db2.gz TXTFSBIKBVJVNQ-QUCCMNQESA-N 2 1 316.489 3.225 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000796799218 626084403 /nfs/dbraw/zinc/08/44/03/626084403.db2.gz SYDBPEBBGNUVGV-IPMKNSEASA-N 2 1 302.462 3.226 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000797583154 626155026 /nfs/dbraw/zinc/15/50/26/626155026.db2.gz YZBDQWJAGXGDQN-QFHJOOASSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000798934574 626261131 /nfs/dbraw/zinc/26/11/31/626261131.db2.gz DFBXFINGEZSYHC-SXLOBPIMSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936198 626261363 /nfs/dbraw/zinc/26/13/63/626261363.db2.gz ZOVXYXKBNINDOL-KXBFYZLASA-N 2 1 312.461 3.281 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936198 626261366 /nfs/dbraw/zinc/26/13/66/626261366.db2.gz ZOVXYXKBNINDOL-KXBFYZLASA-N 2 1 312.461 3.281 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC3CC3)CC2)[C@H](C)C1 ZINC000883253288 626624773 /nfs/dbraw/zinc/62/47/73/626624773.db2.gz NWQAUXOTXLKKKJ-AEFFLSMTSA-N 2 1 308.510 3.293 20 0 DGADMP c1[nH+]c2n(c1CNc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000883404228 626674277 /nfs/dbraw/zinc/67/42/77/626674277.db2.gz UDOWDPDQJDQJEC-UHFFFAOYSA-N 2 1 310.445 3.427 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CC[C@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434087 626681207 /nfs/dbraw/zinc/68/12/07/626681207.db2.gz GQFFWDMWPGINIA-BHIYHBOVSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@@H]1C[NH3+] ZINC000883432942 626681318 /nfs/dbraw/zinc/68/13/18/626681318.db2.gz DVMHSYHIWPBFNB-ZDMKNRLGSA-N 2 1 302.462 3.212 20 0 DGADMP c1ccc([C@H]2CCC[C@@H](C[NH+]3CCC4(CC[NH2+]4)CC3)O2)cc1 ZINC000883433636 626681495 /nfs/dbraw/zinc/68/14/95/626681495.db2.gz VIMVTSADQLLDQS-ZWKOTPCHSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)O2)cc1 ZINC000883440489 626683198 /nfs/dbraw/zinc/68/31/98/626683198.db2.gz RHUFOYRZEPNDSA-YRPNKDGESA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc2c(c1)C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCN21 ZINC000883462400 626686541 /nfs/dbraw/zinc/68/65/41/626686541.db2.gz QEGYOVCLFPAEKG-IBGZPJMESA-N 2 1 313.489 3.251 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000808696909 626850269 /nfs/dbraw/zinc/85/02/69/626850269.db2.gz YEVAJLRZQIWULS-MDYRTPRTSA-N 2 1 314.473 3.468 20 0 DGADMP COc1cccc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)oc21 ZINC000809704574 626939107 /nfs/dbraw/zinc/93/91/07/626939107.db2.gz CEAFXHIDUQCMIS-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)oc21 ZINC000809704574 626939110 /nfs/dbraw/zinc/93/91/10/626939110.db2.gz CEAFXHIDUQCMIS-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP COc1cccc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)oc21 ZINC000809704574 626939113 /nfs/dbraw/zinc/93/91/13/626939113.db2.gz CEAFXHIDUQCMIS-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP COc1cccc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)oc21 ZINC000809704574 626939114 /nfs/dbraw/zinc/93/91/14/626939114.db2.gz CEAFXHIDUQCMIS-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnn3ccccc23)cc1 ZINC000809739057 626944218 /nfs/dbraw/zinc/94/42/18/626944218.db2.gz VYQFZOIXORMPRO-UHFFFAOYSA-N 2 1 308.429 3.028 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000810144741 626981146 /nfs/dbraw/zinc/98/11/46/626981146.db2.gz GMYPAEQTVSLEMY-VDZJLULYSA-N 2 1 306.494 3.212 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000885956784 627069601 /nfs/dbraw/zinc/06/96/01/627069601.db2.gz YKTOZFJNYORTJG-UHFFFAOYSA-N 2 1 323.444 3.092 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000886032369 627088868 /nfs/dbraw/zinc/08/88/68/627088868.db2.gz DXGSJLZZYVAWHX-JENIJYKNSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000886032369 627088870 /nfs/dbraw/zinc/08/88/70/627088870.db2.gz DXGSJLZZYVAWHX-JENIJYKNSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000886032369 627088872 /nfs/dbraw/zinc/08/88/72/627088872.db2.gz DXGSJLZZYVAWHX-JENIJYKNSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000886032369 627088875 /nfs/dbraw/zinc/08/88/75/627088875.db2.gz DXGSJLZZYVAWHX-JENIJYKNSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000886032369 627088878 /nfs/dbraw/zinc/08/88/78/627088878.db2.gz DXGSJLZZYVAWHX-JENIJYKNSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000886172033 627117264 /nfs/dbraw/zinc/11/72/64/627117264.db2.gz UVWUYCKYUVBTMB-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C2)CC1 ZINC000886185856 627118897 /nfs/dbraw/zinc/11/88/97/627118897.db2.gz JQPFTTLYWRNRSF-KRWDZBQOSA-N 2 1 306.494 3.144 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886305978 627134082 /nfs/dbraw/zinc/13/40/82/627134082.db2.gz VUHMPYLOJLFAMY-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+](Cc1ccccn1)[C@H]1CC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000886392089 627145920 /nfs/dbraw/zinc/14/59/20/627145920.db2.gz UIJYKVYDMDFJFZ-MXVIHJGJSA-N 2 1 324.472 3.352 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886526091 627156568 /nfs/dbraw/zinc/15/65/68/627156568.db2.gz FCYXPXFINYWIBA-ONSCTEFMSA-N 2 1 316.489 3.036 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1 ZINC000886522404 627156602 /nfs/dbraw/zinc/15/66/02/627156602.db2.gz ILZGHVATQQWACN-IBGZPJMESA-N 2 1 314.477 3.359 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886625593 627176017 /nfs/dbraw/zinc/17/60/17/627176017.db2.gz VMKINYUBPYOHNU-VIQWUECVSA-N 3 1 307.526 3.105 20 0 DGADMP Cc1nc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)[nH]c1C ZINC000886664355 627183566 /nfs/dbraw/zinc/18/35/66/627183566.db2.gz JXIJTJFFMDWAQX-UHFFFAOYSA-N 2 1 315.465 3.191 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000886776247 627203480 /nfs/dbraw/zinc/20/34/80/627203480.db2.gz AIAYPSKVQNUWFJ-VSZNYVQBSA-N 2 1 306.494 3.188 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1)C1CCCC1 ZINC000886841597 627211227 /nfs/dbraw/zinc/21/12/27/627211227.db2.gz QJVHFYFTJIZQAN-JCHJZTRSSA-N 2 1 306.494 3.033 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000886857864 627211471 /nfs/dbraw/zinc/21/14/71/627211471.db2.gz CWNVJONTXQEOSW-MRXNPFEDSA-N 2 1 307.507 3.096 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000886874480 627212161 /nfs/dbraw/zinc/21/21/61/627212161.db2.gz OPSPGZZUWWKYFK-HNNXBMFYSA-N 2 1 313.367 3.066 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000886874480 627212162 /nfs/dbraw/zinc/21/21/62/627212162.db2.gz OPSPGZZUWWKYFK-HNNXBMFYSA-N 2 1 313.367 3.066 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854715 627430391 /nfs/dbraw/zinc/43/03/91/627430391.db2.gz VSVYRDVSLBMSLH-HKUYNNGSSA-N 2 1 304.478 3.306 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000813790756 627512067 /nfs/dbraw/zinc/51/20/67/627512067.db2.gz WPRQHORLVRBFIW-CTXDPNEZSA-N 2 1 324.472 3.393 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]n1 ZINC000813790756 627512070 /nfs/dbraw/zinc/51/20/70/627512070.db2.gz WPRQHORLVRBFIW-CTXDPNEZSA-N 2 1 324.472 3.393 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1cccc2ccccc21 ZINC000815107243 627627790 /nfs/dbraw/zinc/62/77/90/627627790.db2.gz MKGZHYRAKRUPFY-FQEVSTJZSA-N 2 1 312.457 3.291 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1cccc2ccccc21 ZINC000815107243 627627793 /nfs/dbraw/zinc/62/77/93/627627793.db2.gz MKGZHYRAKRUPFY-FQEVSTJZSA-N 2 1 312.457 3.291 20 0 DGADMP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CC[NH+](C(C)C)C(C)C)n(C)n1 ZINC000924554715 627648606 /nfs/dbraw/zinc/64/86/06/627648606.db2.gz DBPSLLYKHSGZHK-IEBWSBKVSA-N 2 1 320.525 3.148 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924591932 627653988 /nfs/dbraw/zinc/65/39/88/627653988.db2.gz MSXVZZWQDNSWNU-AWEZNQCLSA-N 2 1 302.462 3.191 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000924683691 627666565 /nfs/dbraw/zinc/66/65/65/627666565.db2.gz AUQFEUAMHDQWBG-BHIYHBOVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CO1 ZINC000924687156 627667084 /nfs/dbraw/zinc/66/70/84/627667084.db2.gz VLNKTENRTVKEAD-FCWGVCEXSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924687956 627667719 /nfs/dbraw/zinc/66/77/19/627667719.db2.gz YANPUWZSVBAEON-NBMJBFSESA-N 2 1 308.510 3.149 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cn(C)cn2)c1 ZINC000924708498 627670692 /nfs/dbraw/zinc/67/06/92/627670692.db2.gz QNORRWZXNXEEPH-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc(OC)no2)c1 ZINC000924709552 627671520 /nfs/dbraw/zinc/67/15/20/627671520.db2.gz XOXQJBLYUYXMPJ-AWEZNQCLSA-N 2 1 317.433 3.376 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1C1CCC1 ZINC000924712702 627671587 /nfs/dbraw/zinc/67/15/87/627671587.db2.gz JPSMRUATFMAYRQ-CQSZACIVSA-N 2 1 302.466 3.133 20 0 DGADMP C[C@H](CN[C@@H](C)c1cccc(C[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000924718530 627672819 /nfs/dbraw/zinc/67/28/19/627672819.db2.gz ZJGLHGJWOTZEOY-SJORKVTESA-N 2 1 303.494 3.131 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924954773 627697088 /nfs/dbraw/zinc/69/70/88/627697088.db2.gz WZRBHTAEDLZXQU-KBPBESRZSA-N 2 1 301.438 3.100 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958196 627698002 /nfs/dbraw/zinc/69/80/02/627698002.db2.gz CTRLFAQEWOOJFQ-HZPDHXFCSA-N 2 1 305.466 3.251 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958196 627698004 /nfs/dbraw/zinc/69/80/04/627698004.db2.gz CTRLFAQEWOOJFQ-HZPDHXFCSA-N 2 1 305.466 3.251 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925008513 627700464 /nfs/dbraw/zinc/70/04/64/627700464.db2.gz DDMLFLHPHOKBBA-SFTDATJTSA-N 2 1 323.484 3.167 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010198 627700813 /nfs/dbraw/zinc/70/08/13/627700813.db2.gz FDGATDNHOQPEQT-KBXCAEBGSA-N 2 1 302.462 3.049 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010198 627700814 /nfs/dbraw/zinc/70/08/14/627700814.db2.gz FDGATDNHOQPEQT-KBXCAEBGSA-N 2 1 302.462 3.049 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000925228610 627721198 /nfs/dbraw/zinc/72/11/98/627721198.db2.gz IPMXDCUNSHCRKQ-SQIBXOBRSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000925228610 627721202 /nfs/dbraw/zinc/72/12/02/627721202.db2.gz IPMXDCUNSHCRKQ-SQIBXOBRSA-N 2 1 316.489 3.300 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000925408708 627734185 /nfs/dbraw/zinc/73/41/85/627734185.db2.gz RMEMIBJYPSSXLT-IBGZPJMESA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)[NH2+]2 ZINC000925522749 627746923 /nfs/dbraw/zinc/74/69/23/627746923.db2.gz UAAAZRHHPDODSK-KCUHQSDYSA-N 3 1 319.537 3.150 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925525086 627746972 /nfs/dbraw/zinc/74/69/72/627746972.db2.gz FPPZKQSKWMWVIN-VQTJNVASSA-N 2 1 315.505 3.006 20 0 DGADMP CC(C)(C)c1nnc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000925580580 627758097 /nfs/dbraw/zinc/75/80/97/627758097.db2.gz NEEWHXJJMNJWGX-CQSZACIVSA-N 2 1 318.490 3.405 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000925589365 627760130 /nfs/dbraw/zinc/76/01/30/627760130.db2.gz XTVPSHJLNNFCPD-IBGZPJMESA-N 2 1 323.569 3.455 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000925589365 627760133 /nfs/dbraw/zinc/76/01/33/627760133.db2.gz XTVPSHJLNNFCPD-IBGZPJMESA-N 3 1 323.569 3.455 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000925589365 627760134 /nfs/dbraw/zinc/76/01/34/627760134.db2.gz XTVPSHJLNNFCPD-IBGZPJMESA-N 3 1 323.569 3.455 20 0 DGADMP c1coc([C@H](CN[C@@H]2CC[NH2+]C23CCCC3)[NH+]2CCCCC2)c1 ZINC000925610978 627762192 /nfs/dbraw/zinc/76/21/92/627762192.db2.gz JXUISXMDSPHIHV-FUHWJXTLSA-N 2 1 317.477 3.071 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631746 627765383 /nfs/dbraw/zinc/76/53/83/627765383.db2.gz JHAHRHKNSUFEPX-VVLHAWIVSA-N 3 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631746 627765385 /nfs/dbraw/zinc/76/53/85/627765385.db2.gz JHAHRHKNSUFEPX-VVLHAWIVSA-N 2 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631746 627765390 /nfs/dbraw/zinc/76/53/90/627765390.db2.gz JHAHRHKNSUFEPX-VVLHAWIVSA-N 2 1 307.526 3.135 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925641318 627768488 /nfs/dbraw/zinc/76/84/88/627768488.db2.gz XLUWLBCXJWMYRV-ARFHVFGLSA-N 2 1 304.482 3.337 20 0 DGADMP Fc1ccc2[nH]cc(CCC[NH2+][C@H]3CC[NH2+]C34CCC4)c2c1 ZINC000925660539 627772435 /nfs/dbraw/zinc/77/24/35/627772435.db2.gz NOFCAMSFNYCJRL-KRWDZBQOSA-N 2 1 301.409 3.114 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C12CCC2 ZINC000925673845 627774936 /nfs/dbraw/zinc/77/49/36/627774936.db2.gz PDFPDGAJGTWPQP-WCIQWLHISA-N 2 1 322.452 3.321 20 0 DGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925675727 627775287 /nfs/dbraw/zinc/77/52/87/627775287.db2.gz OWEVLNGOBCXNDC-QEBLAXQFSA-N 2 1 302.849 3.172 20 0 DGADMP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000925678074 627775470 /nfs/dbraw/zinc/77/54/70/627775470.db2.gz ZVCYFKLBVRYYFQ-OALUTQOASA-N 2 1 315.505 3.019 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925687961 627776562 /nfs/dbraw/zinc/77/65/62/627776562.db2.gz CXVARUBVWOLUDR-PEFDPPPMSA-N 2 1 310.441 3.477 20 0 DGADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925686501 627776640 /nfs/dbraw/zinc/77/66/40/627776640.db2.gz VMNIXHINEJNJBN-CXAGYDPISA-N 2 1 306.425 3.030 20 0 DGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccnc2ccccc12)c1ccccc1 ZINC000925709428 627779960 /nfs/dbraw/zinc/77/99/60/627779960.db2.gz UJNDXMNJTWBZNG-QRWLVFNGSA-N 2 1 305.425 3.455 20 0 DGADMP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717300 627780574 /nfs/dbraw/zinc/78/05/74/627780574.db2.gz SHHOGOKOBYZMKI-UYAOXDASSA-N 3 1 315.505 3.178 20 0 DGADMP Cc1ccc(C)c([C@H](C)N2CCc3sc(CN)nc3C2)c1 ZINC000925752420 627787809 /nfs/dbraw/zinc/78/78/09/627787809.db2.gz UZWRKAYLJICWRM-ZDUSSCGKSA-N 2 1 301.459 3.338 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000925760239 627790398 /nfs/dbraw/zinc/79/03/98/627790398.db2.gz VTIKHGXHNKFNDV-AWEZNQCLSA-N 2 1 306.450 3.106 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925780561 627794423 /nfs/dbraw/zinc/79/44/23/627794423.db2.gz TUCHSOLQNQBDJA-ZYHUDNBSSA-N 2 1 320.330 3.183 20 0 DGADMP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925829223 627801423 /nfs/dbraw/zinc/80/14/23/627801423.db2.gz NBFMIARCWNWQLB-LJQANCHMSA-N 2 1 310.441 3.265 20 0 DGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccnn1-c1ccccc1 ZINC000925836599 627803288 /nfs/dbraw/zinc/80/32/88/627803288.db2.gz AXSKNHDSKPLOOG-ATZDWAIDSA-N 2 1 310.445 3.055 20 0 DGADMP c1ccc([C@@H](CC2CC2)[NH2+]CCCCC[NH+]2CCNCC2)cc1 ZINC000925845257 627804959 /nfs/dbraw/zinc/80/49/59/627804959.db2.gz OUDZIVCFMYYTGN-HXUWFJFHSA-N 2 1 315.505 3.193 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)oc21 ZINC000816642250 627818522 /nfs/dbraw/zinc/81/85/22/627818522.db2.gz UTIYWPBISISCJL-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)oc21 ZINC000816642250 627818524 /nfs/dbraw/zinc/81/85/24/627818524.db2.gz UTIYWPBISISCJL-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)oc21 ZINC000816642250 627818526 /nfs/dbraw/zinc/81/85/26/627818526.db2.gz UTIYWPBISISCJL-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)oc21 ZINC000816642250 627818529 /nfs/dbraw/zinc/81/85/29/627818529.db2.gz UTIYWPBISISCJL-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119737 627847218 /nfs/dbraw/zinc/84/72/18/627847218.db2.gz PZNDQGJWPXLRSC-NTZUZEMLSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000926118754 627847455 /nfs/dbraw/zinc/84/74/55/627847455.db2.gz BTRNAJCMBFBEPM-ONCXSQPRSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118754 627847458 /nfs/dbraw/zinc/84/74/58/627847458.db2.gz BTRNAJCMBFBEPM-ONCXSQPRSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118754 627847463 /nfs/dbraw/zinc/84/74/63/627847463.db2.gz BTRNAJCMBFBEPM-ONCXSQPRSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118754 627847467 /nfs/dbraw/zinc/84/74/67/627847467.db2.gz BTRNAJCMBFBEPM-ONCXSQPRSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118754 627847471 /nfs/dbraw/zinc/84/74/71/627847471.db2.gz BTRNAJCMBFBEPM-ONCXSQPRSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457437 627898820 /nfs/dbraw/zinc/89/88/20/627898820.db2.gz PRFZSLLSIJQMIJ-HKUYNNGSSA-N 2 1 324.472 3.430 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457437 627898823 /nfs/dbraw/zinc/89/88/23/627898823.db2.gz PRFZSLLSIJQMIJ-HKUYNNGSSA-N 2 1 324.472 3.430 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2cncn2c1)c1cccc(C[NH+](C)C)c1 ZINC000926568159 627915803 /nfs/dbraw/zinc/91/58/03/627915803.db2.gz WKMYJKANIXJXAZ-OAHLLOKOSA-N 2 1 308.429 3.247 20 0 DGADMP C[C@@]1(O)C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926601328 627920700 /nfs/dbraw/zinc/92/07/00/627920700.db2.gz QFEIKTRZMHWRRR-XFGWDWCLSA-N 2 1 314.473 3.075 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000817893903 627954223 /nfs/dbraw/zinc/95/42/23/627954223.db2.gz HRRLVOPFVLLCTO-UGSOOPFHSA-N 2 1 313.445 3.176 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897425 627955550 /nfs/dbraw/zinc/95/55/50/627955550.db2.gz OWBCEFHUPSJCCX-QFBILLFUSA-N 3 1 307.526 3.009 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC000817900396 627956378 /nfs/dbraw/zinc/95/63/78/627956378.db2.gz MPJXBTNUVWGDHH-JKSUJKDBSA-N 2 1 306.450 3.232 20 0 DGADMP C[C@]1(CN[C@H]2CCCCC[C@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927269 627963956 /nfs/dbraw/zinc/96/39/56/627963956.db2.gz DROGDNMJOIRWRJ-HSALFYBXSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000817928648 627964332 /nfs/dbraw/zinc/96/43/32/627964332.db2.gz ZPMNNHZOJJQVHE-OXJNMPFZSA-N 2 1 324.472 3.057 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817931935 627964884 /nfs/dbraw/zinc/96/48/84/627964884.db2.gz PHTPLYKLHGHULH-OALUTQOASA-N 2 1 324.424 3.013 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000926894144 627973659 /nfs/dbraw/zinc/97/36/59/627973659.db2.gz WAFBSNOVCMAZCD-MCYKXBRJSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000926894144 627973662 /nfs/dbraw/zinc/97/36/62/627973662.db2.gz WAFBSNOVCMAZCD-MCYKXBRJSA-N 2 1 313.489 3.037 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817959674 627974604 /nfs/dbraw/zinc/97/46/04/627974604.db2.gz FZDWMOWMXSWBLK-HNNXBMFYSA-N 3 1 319.493 3.069 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927015352 627998253 /nfs/dbraw/zinc/99/82/53/627998253.db2.gz BEQXFUCYXKEOCH-IHPCNDPISA-N 2 1 316.489 3.446 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000927019281 627998593 /nfs/dbraw/zinc/99/85/93/627998593.db2.gz DUIFRXOIHYUBSW-YZGWKJHDSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000927019281 627998598 /nfs/dbraw/zinc/99/85/98/627998598.db2.gz DUIFRXOIHYUBSW-YZGWKJHDSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818959436 628067048 /nfs/dbraw/zinc/06/70/48/628067048.db2.gz KBKNJAAKTYAIFR-MAUKXSAKSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000818961847 628068311 /nfs/dbraw/zinc/06/83/11/628068311.db2.gz VSFLBVCCCWNCNX-SCTDSRPQSA-N 2 1 304.478 3.068 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000818979803 628072184 /nfs/dbraw/zinc/07/21/84/628072184.db2.gz AWGHUZJSFVWSBD-QGZVFWFLSA-N 2 1 316.445 3.176 20 0 DGADMP CCC(CC)(C[NH2+]C[C@H](O)C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000819065448 628085830 /nfs/dbraw/zinc/08/58/30/628085830.db2.gz IVBPGJPKMNJOGP-YJBOKZPZSA-N 2 1 304.478 3.257 20 0 DGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2cc(C)cc(C)c2)[nH+]c1 ZINC000819129363 628097286 /nfs/dbraw/zinc/09/72/86/628097286.db2.gz HJYPZSYYFHGUIU-SFHVURJKSA-N 2 1 313.445 3.132 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000819181894 628107540 /nfs/dbraw/zinc/10/75/40/628107540.db2.gz DASJBNCVXPATQL-VQIMIIECSA-N 2 1 322.468 3.125 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807829 628299058 /nfs/dbraw/zinc/29/90/58/628299058.db2.gz RWLQLIAJCDQDSF-IPELMVKDSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807829 628299061 /nfs/dbraw/zinc/29/90/61/628299061.db2.gz RWLQLIAJCDQDSF-IPELMVKDSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807832 628299093 /nfs/dbraw/zinc/29/90/93/628299093.db2.gz RWLQLIAJCDQDSF-ZYSHUDEJSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807832 628299096 /nfs/dbraw/zinc/29/90/96/628299096.db2.gz RWLQLIAJCDQDSF-ZYSHUDEJSA-N 2 1 301.478 3.026 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659399 628476083 /nfs/dbraw/zinc/47/60/83/628476083.db2.gz PXHWLSCWNVKCEC-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659399 628476084 /nfs/dbraw/zinc/47/60/84/628476084.db2.gz PXHWLSCWNVKCEC-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659399 628476088 /nfs/dbraw/zinc/47/60/88/628476088.db2.gz PXHWLSCWNVKCEC-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659399 628476091 /nfs/dbraw/zinc/47/60/91/628476091.db2.gz PXHWLSCWNVKCEC-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000827856127 628997474 /nfs/dbraw/zinc/99/74/74/628997474.db2.gz LWDJYFPZNDOBAX-GOSISDBHSA-N 2 1 304.478 3.353 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827963294 629008923 /nfs/dbraw/zinc/00/89/23/629008923.db2.gz HGJUYLWTKSCLDW-UONOGXRCSA-N 2 1 323.308 3.003 20 0 DGADMP C[NH+](C)CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000102419365 630104312 /nfs/dbraw/zinc/10/43/12/630104312.db2.gz OHXSKWRNMZCWQM-UHFFFAOYSA-N 2 1 315.244 3.311 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]1 ZINC000841009755 630395541 /nfs/dbraw/zinc/39/55/41/630395541.db2.gz SSMQLFSCFIUJNF-VVWQDTPRSA-N 2 1 320.452 3.102 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000841076869 630404846 /nfs/dbraw/zinc/40/48/46/630404846.db2.gz RVTOVJBELTZEOU-CVEARBPZSA-N 2 1 313.445 3.103 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000841103768 630408494 /nfs/dbraw/zinc/40/84/94/630408494.db2.gz JPCQIZSORHETTM-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000841103768 630408495 /nfs/dbraw/zinc/40/84/95/630408495.db2.gz JPCQIZSORHETTM-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP CC[N@@H+](CCCCCCC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000842471663 630538964 /nfs/dbraw/zinc/53/89/64/630538964.db2.gz PXXHGJZKVRXUKC-INIZCTEOSA-N 2 1 306.450 3.058 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000842472108 630539043 /nfs/dbraw/zinc/53/90/43/630539043.db2.gz QUGHKJGVZWWCDA-RBUKOAKNSA-N 2 1 304.478 3.484 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697198 630564535 /nfs/dbraw/zinc/56/45/35/630564535.db2.gz ONOJKMMJXCKUDD-OALUTQOASA-N 2 1 312.457 3.466 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697198 630564541 /nfs/dbraw/zinc/56/45/41/630564541.db2.gz ONOJKMMJXCKUDD-OALUTQOASA-N 2 1 312.457 3.466 20 0 DGADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc(Cl)c1OC ZINC000843055912 630609470 /nfs/dbraw/zinc/60/94/70/630609470.db2.gz RXKFXMOWYUEFLP-UHFFFAOYSA-N 2 1 312.841 3.059 20 0 DGADMP CCCn1c2ccccc2nc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055725 630609514 /nfs/dbraw/zinc/60/95/14/630609514.db2.gz LUBGVKKMNDVLKZ-UHFFFAOYSA-N 2 1 300.450 3.148 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)oc21 ZINC000843059285 630610011 /nfs/dbraw/zinc/61/00/11/630610011.db2.gz JJZXWGNHLLGTLV-BPUTZDHNSA-N 2 1 300.402 3.001 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000843128372 630616985 /nfs/dbraw/zinc/61/69/85/630616985.db2.gz JGBJCTLWDGZWCV-VXGBXAGGSA-N 2 1 306.841 3.050 20 0 DGADMP CC(C)[C@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000843150997 630621179 /nfs/dbraw/zinc/62/11/79/630621179.db2.gz MAJINIIAPSRDDJ-HOTGVXAUSA-N 2 1 314.433 3.105 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343013 630647645 /nfs/dbraw/zinc/64/76/45/630647645.db2.gz QLEQNYQYJWJKMS-PKOBYXMFSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343013 630647647 /nfs/dbraw/zinc/64/76/47/630647647.db2.gz QLEQNYQYJWJKMS-PKOBYXMFSA-N 3 1 303.494 3.006 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000843377744 630651013 /nfs/dbraw/zinc/65/10/13/630651013.db2.gz JARNOSZCDAEVIR-CVEARBPZSA-N 2 1 317.477 3.199 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844375872 630722792 /nfs/dbraw/zinc/72/27/92/630722792.db2.gz QUJYRONBXMIDAP-ZWKOTPCHSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844375872 630722793 /nfs/dbraw/zinc/72/27/93/630722793.db2.gz QUJYRONBXMIDAP-ZWKOTPCHSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844375872 630722794 /nfs/dbraw/zinc/72/27/94/630722794.db2.gz QUJYRONBXMIDAP-ZWKOTPCHSA-N 2 1 322.880 3.108 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000845970085 631204089 /nfs/dbraw/zinc/20/40/89/631204089.db2.gz SMNKUPIHDJTVAM-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000846218190 631215465 /nfs/dbraw/zinc/21/54/65/631215465.db2.gz SXKAZBZPFDZDFP-INIZCTEOSA-N 2 1 304.434 3.114 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000846893132 631342820 /nfs/dbraw/zinc/34/28/20/631342820.db2.gz XZESBXSBLZPFSZ-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000846893132 631342823 /nfs/dbraw/zinc/34/28/23/631342823.db2.gz XZESBXSBLZPFSZ-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000848527241 631678636 /nfs/dbraw/zinc/67/86/36/631678636.db2.gz WCYUYWZQJCZMKD-DNVCBOLYSA-N 2 1 320.452 3.162 20 0 DGADMP c1cc(C2CC2)cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC000848552008 631689528 /nfs/dbraw/zinc/68/95/28/631689528.db2.gz YJBQOTXRDBRSKX-QGZVFWFLSA-N 2 1 301.434 3.014 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000848890615 631774217 /nfs/dbraw/zinc/77/42/17/631774217.db2.gz SQCJVNPARVNNDA-MISYRCLQSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])NC1CCC1 ZINC000848985416 631797011 /nfs/dbraw/zinc/79/70/11/631797011.db2.gz XCGRTSLIVPUVBD-OAHLLOKOSA-N 2 1 314.477 3.227 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000849009929 631805253 /nfs/dbraw/zinc/80/52/53/631805253.db2.gz LUCJTGLMEBZTAF-GUTXKFCHSA-N 2 1 308.495 3.043 20 0 DGADMP CCc1cccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000849023186 631809211 /nfs/dbraw/zinc/80/92/11/631809211.db2.gz WAMPYTMFBYGYMI-QGZVFWFLSA-N 2 1 300.450 3.202 20 0 DGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000849023163 631809316 /nfs/dbraw/zinc/80/93/16/631809316.db2.gz RLNXQCOEQITVOQ-KRWDZBQOSA-N 2 1 300.450 3.257 20 0 DGADMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849029689 631812785 /nfs/dbraw/zinc/81/27/85/631812785.db2.gz HNROWLCOQVKPGO-SJLPKXTDSA-N 2 1 316.493 3.201 20 0 DGADMP CCCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849029834 631813006 /nfs/dbraw/zinc/81/30/06/631813006.db2.gz PMTXIJQGRCNKMH-SFHVURJKSA-N 2 1 316.493 3.203 20 0 DGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)c1ccccc1 ZINC000849055804 631820922 /nfs/dbraw/zinc/82/09/22/631820922.db2.gz DEJWIOZWCCRGSF-WMZOPIPTSA-N 2 1 316.493 3.326 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849096627 631833886 /nfs/dbraw/zinc/83/38/86/631833886.db2.gz BHDLLNDTBKBDJR-AWEZNQCLSA-N 2 1 302.466 3.089 20 0 DGADMP CCc1ccc([C@H](CNC(=[NH2+])N(CC)CC)[NH+](CC)CC)cc1 ZINC000849103418 631835800 /nfs/dbraw/zinc/83/58/00/631835800.db2.gz NDYINQVZNPDINY-SFHVURJKSA-N 2 1 318.509 3.498 20 0 DGADMP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)cc1C ZINC000849105379 631837004 /nfs/dbraw/zinc/83/70/04/631837004.db2.gz JLFBDPHPYASWJO-UHFFFAOYSA-N 2 1 302.466 3.362 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486499 632007588 /nfs/dbraw/zinc/00/75/88/632007588.db2.gz HSNQQJVWBDYUKX-PKOBYXMFSA-N 2 1 303.494 3.321 20 0 DGADMP COc1cncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000850031668 632033370 /nfs/dbraw/zinc/03/33/70/632033370.db2.gz VIDJCAMNCOKBEU-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381059 632134327 /nfs/dbraw/zinc/13/43/27/632134327.db2.gz ALOIQVIVTFAYNL-NFAWXSAZSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381059 632134330 /nfs/dbraw/zinc/13/43/30/632134330.db2.gz ALOIQVIVTFAYNL-NFAWXSAZSA-N 2 1 320.399 3.093 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000850465976 632162072 /nfs/dbraw/zinc/16/20/72/632162072.db2.gz HXLFQEAZGZVDAT-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000850516577 632177127 /nfs/dbraw/zinc/17/71/27/632177127.db2.gz MTNAAEQLLSRVAT-XPGWFJOJSA-N 2 1 312.457 3.193 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1csc2ccccc21 ZINC000851930817 632524419 /nfs/dbraw/zinc/52/44/19/632524419.db2.gz CZMJZQSXXZAKHR-KBPBESRZSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1csc2ccccc21 ZINC000851930817 632524423 /nfs/dbraw/zinc/52/44/23/632524423.db2.gz CZMJZQSXXZAKHR-KBPBESRZSA-N 2 1 306.475 3.253 20 0 DGADMP [NH3+]CCC[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000423504670 660490947 /nfs/dbraw/zinc/49/09/47/660490947.db2.gz NRNGLDMBZBHGEP-HXUWFJFHSA-N 2 1 315.505 3.463 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000703017963 660755711 /nfs/dbraw/zinc/75/57/11/660755711.db2.gz OVEZXEFQJCJIMB-IHJVYAAUSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000703017963 660755712 /nfs/dbraw/zinc/75/57/12/660755712.db2.gz OVEZXEFQJCJIMB-IHJVYAAUSA-N 2 1 316.489 3.323 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC)CC1 ZINC001034775339 660790766 /nfs/dbraw/zinc/79/07/66/660790766.db2.gz LHVAEVRGFUHLRI-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@@]1(CNc2[nH+]cnc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000705192734 660836977 /nfs/dbraw/zinc/83/69/77/660836977.db2.gz QTLANKHTSNFHHJ-IBGZPJMESA-N 2 1 321.428 3.282 20 0 DGADMP C[C@@]1(CNc2[nH+]cnc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000705192734 660836979 /nfs/dbraw/zinc/83/69/79/660836979.db2.gz QTLANKHTSNFHHJ-IBGZPJMESA-N 2 1 321.428 3.282 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000711401448 660949971 /nfs/dbraw/zinc/94/99/71/660949971.db2.gz LPHQETFBXWJRTI-LJQANCHMSA-N 2 1 314.473 3.342 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000792927957 660994700 /nfs/dbraw/zinc/99/47/00/660994700.db2.gz VHHFCWQMCZEWRD-MOPGFXCFSA-N 2 1 318.505 3.471 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000792927957 660994701 /nfs/dbraw/zinc/99/47/01/660994701.db2.gz VHHFCWQMCZEWRD-MOPGFXCFSA-N 2 1 318.505 3.471 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n(C)n1 ZINC000793523841 661041392 /nfs/dbraw/zinc/04/13/92/661041392.db2.gz FHGDLGYRTMFBPL-MRXNPFEDSA-N 2 1 318.509 3.424 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794601894 661093158 /nfs/dbraw/zinc/09/31/58/661093158.db2.gz GKQDYWYPQGPCIK-RBUKOAKNSA-N 2 1 315.461 3.320 20 0 DGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C(F)(F)F ZINC000261945474 655711642 /nfs/dbraw/zinc/71/16/42/655711642.db2.gz FGFVPLPCUAIXEI-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309719953 655877314 /nfs/dbraw/zinc/87/73/14/655877314.db2.gz LYHCVBUDVHYYAR-AQNXPRMDSA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOCC4)[C@@H]3C2)cc1 ZINC000309759061 655881343 /nfs/dbraw/zinc/88/13/43/655881343.db2.gz CUTKWLRAFXRXNR-HAGHYFMRSA-N 2 1 314.473 3.056 20 0 DGADMP C[NH+](C)Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)ccc1Cl ZINC000935803182 655964824 /nfs/dbraw/zinc/96/48/24/655964824.db2.gz VARBELWVQIAOLT-UHFFFAOYSA-N 2 1 311.857 3.118 20 0 DGADMP C[N@@H+](CCc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000258797178 656468408 /nfs/dbraw/zinc/46/84/08/656468408.db2.gz MZGOFCSFOUBZBA-UHFFFAOYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000724278884 656512825 /nfs/dbraw/zinc/51/28/25/656512825.db2.gz KWQPJEXYFLKWDL-CUDHKJQZSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC)CC1 ZINC001052860561 656777969 /nfs/dbraw/zinc/77/79/69/656777969.db2.gz UUPWYRYTEHHLIA-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC)CC1 ZINC001052860561 656777971 /nfs/dbraw/zinc/77/79/71/656777971.db2.gz UUPWYRYTEHHLIA-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC)CC1 ZINC001052860561 656777972 /nfs/dbraw/zinc/77/79/72/656777972.db2.gz UUPWYRYTEHHLIA-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248582535 657031587 /nfs/dbraw/zinc/03/15/87/657031587.db2.gz OZCGLDUPPGWGGZ-QMTMVMCOSA-N 2 1 320.452 3.102 20 0 DGADMP Clc1ccc2cccnc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261981610 657271694 /nfs/dbraw/zinc/27/16/94/657271694.db2.gz JFDSXFJDHPDXJO-UHFFFAOYSA-N 2 1 315.848 3.464 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)C)cc1 ZINC000305143887 657687078 /nfs/dbraw/zinc/68/70/78/657687078.db2.gz RDJIAHLSLPBZOF-KBXCAEBGSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425426 658516732 /nfs/dbraw/zinc/51/67/32/658516732.db2.gz MZKJQWQXNDIKOC-JKSUJKDBSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425426 658516739 /nfs/dbraw/zinc/51/67/39/658516739.db2.gz MZKJQWQXNDIKOC-JKSUJKDBSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683185 658562510 /nfs/dbraw/zinc/56/25/10/658562510.db2.gz HJZXWNCWVAGWEB-KVSKMBFKSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683185 658562520 /nfs/dbraw/zinc/56/25/20/658562520.db2.gz HJZXWNCWVAGWEB-KVSKMBFKSA-N 2 1 310.445 3.150 20 0 DGADMP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000227846919 659166954 /nfs/dbraw/zinc/16/69/54/659166954.db2.gz TYXMAMHQLSVCQM-GXSJLCMTSA-N 2 1 317.296 3.391 20 0 DGADMP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000227846919 659166957 /nfs/dbraw/zinc/16/69/57/659166957.db2.gz TYXMAMHQLSVCQM-GXSJLCMTSA-N 2 1 317.296 3.391 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC000929790959 659585452 /nfs/dbraw/zinc/58/54/52/659585452.db2.gz OAVWWGYAALZHAD-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC000929790959 659585454 /nfs/dbraw/zinc/58/54/54/659585454.db2.gz OAVWWGYAALZHAD-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC000929790959 659585457 /nfs/dbraw/zinc/58/54/57/659585457.db2.gz OAVWWGYAALZHAD-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP Fc1cccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930061219 659902344 /nfs/dbraw/zinc/90/23/44/659902344.db2.gz PDZCYFGDVFVBNQ-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930061219 659902345 /nfs/dbraw/zinc/90/23/45/659902345.db2.gz PDZCYFGDVFVBNQ-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930061219 659902348 /nfs/dbraw/zinc/90/23/48/659902348.db2.gz PDZCYFGDVFVBNQ-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP c1cc(SCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000929691134 661329179 /nfs/dbraw/zinc/32/91/79/661329179.db2.gz YRUIBOKUWQMVMX-INIZCTEOSA-N 2 1 305.491 3.124 20 0 DGADMP c1cc(SCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000929691134 661329183 /nfs/dbraw/zinc/32/91/83/661329183.db2.gz YRUIBOKUWQMVMX-INIZCTEOSA-N 2 1 305.491 3.124 20 0 DGADMP COc1cccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000929762046 661335687 /nfs/dbraw/zinc/33/56/87/661335687.db2.gz BQSNVWAZMZEZKV-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000929762046 661335688 /nfs/dbraw/zinc/33/56/88/661335688.db2.gz BQSNVWAZMZEZKV-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000929762046 661335689 /nfs/dbraw/zinc/33/56/89/661335689.db2.gz BQSNVWAZMZEZKV-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000929762046 661335690 /nfs/dbraw/zinc/33/56/90/661335690.db2.gz BQSNVWAZMZEZKV-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000929762046 661335692 /nfs/dbraw/zinc/33/56/92/661335692.db2.gz BQSNVWAZMZEZKV-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1nc(C)c(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)[nH]1 ZINC000930320373 661388656 /nfs/dbraw/zinc/38/86/56/661388656.db2.gz KGVSRDMGFICMES-VKJFTORMSA-N 2 1 303.450 3.196 20 0 DGADMP Cc1nc(C)c(CN2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)[nH]1 ZINC000930320373 661388659 /nfs/dbraw/zinc/38/86/59/661388659.db2.gz KGVSRDMGFICMES-VKJFTORMSA-N 2 1 303.450 3.196 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000930346877 661391345 /nfs/dbraw/zinc/39/13/45/661391345.db2.gz KFPMHPXJNUSHOY-SFHVURJKSA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000930346877 661391347 /nfs/dbraw/zinc/39/13/47/661391347.db2.gz KFPMHPXJNUSHOY-SFHVURJKSA-N 2 1 324.472 3.054 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460022 661400802 /nfs/dbraw/zinc/40/08/02/661400802.db2.gz KRHLFGRHIFPWCM-AWQNUYMJSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460022 661400803 /nfs/dbraw/zinc/40/08/03/661400803.db2.gz KRHLFGRHIFPWCM-AWQNUYMJSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460022 661400804 /nfs/dbraw/zinc/40/08/04/661400804.db2.gz KRHLFGRHIFPWCM-AWQNUYMJSA-N 2 1 320.399 3.043 20 0 DGADMP COC/C(C)=C/C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460983 661400882 /nfs/dbraw/zinc/40/08/82/661400882.db2.gz MZBQSEBRBGBSMI-DMGNWNAPSA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C/C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460983 661400883 /nfs/dbraw/zinc/40/08/83/661400883.db2.gz MZBQSEBRBGBSMI-DMGNWNAPSA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C/C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930460983 661400884 /nfs/dbraw/zinc/40/08/84/661400884.db2.gz MZBQSEBRBGBSMI-DMGNWNAPSA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C/C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930460983 661400886 /nfs/dbraw/zinc/40/08/86/661400886.db2.gz MZBQSEBRBGBSMI-DMGNWNAPSA-N 2 1 314.473 3.177 20 0 DGADMP CCCC[N@@H+](CCc1ccnn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034638 661447160 /nfs/dbraw/zinc/44/71/60/661447160.db2.gz WAFONUJZVOZQAC-UHFFFAOYSA-N 2 1 320.525 3.374 20 0 DGADMP CC[N@@H+](Cc1[nH]c(C)nc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000931272014 661463656 /nfs/dbraw/zinc/46/36/56/661463656.db2.gz PBUOMNDJKSICPZ-UHFFFAOYSA-N 2 1 300.450 3.110 20 0 DGADMP c1ccc2c(c1)CCC[C@H]2[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288701 661464679 /nfs/dbraw/zinc/46/46/79/661464679.db2.gz SJFORHADOBLWAF-HXUWFJFHSA-N 2 1 314.473 3.251 20 0 DGADMP c1ccc2c(c1)CCC[C@H]2[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288701 661464680 /nfs/dbraw/zinc/46/46/80/661464680.db2.gz SJFORHADOBLWAF-HXUWFJFHSA-N 2 1 314.473 3.251 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310897 661465810 /nfs/dbraw/zinc/46/58/10/661465810.db2.gz JQNUMUONFAESLE-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@H](c1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310897 661465811 /nfs/dbraw/zinc/46/58/11/661465811.db2.gz JQNUMUONFAESLE-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310897 661465813 /nfs/dbraw/zinc/46/58/13/661465813.db2.gz JQNUMUONFAESLE-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310897 661465814 /nfs/dbraw/zinc/46/58/14/661465814.db2.gz JQNUMUONFAESLE-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310897 661465815 /nfs/dbraw/zinc/46/58/15/661465815.db2.gz JQNUMUONFAESLE-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC000931313313 661466459 /nfs/dbraw/zinc/46/64/59/661466459.db2.gz AJLNXCUAGIBOEI-MTQWCTHYSA-N 2 1 314.473 3.180 20 0 DGADMP Cc1oc(-c2cccs2)nc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931432372 661475954 /nfs/dbraw/zinc/47/59/54/661475954.db2.gz OKLCNAXDGPEAQX-KGLIPLIRSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931432372 661475956 /nfs/dbraw/zinc/47/59/56/661475956.db2.gz OKLCNAXDGPEAQX-KGLIPLIRSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931432372 661475957 /nfs/dbraw/zinc/47/59/57/661475957.db2.gz OKLCNAXDGPEAQX-KGLIPLIRSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931432372 661475959 /nfs/dbraw/zinc/47/59/59/661475959.db2.gz OKLCNAXDGPEAQX-KGLIPLIRSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931432372 661475962 /nfs/dbraw/zinc/47/59/62/661475962.db2.gz OKLCNAXDGPEAQX-KGLIPLIRSA-N 2 1 317.458 3.095 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)C[C@@H]2C1 ZINC000931433643 661476123 /nfs/dbraw/zinc/47/61/23/661476123.db2.gz GETSAMOXLZBNNV-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)[nH+]c1C ZINC000931748331 661504770 /nfs/dbraw/zinc/50/47/70/661504770.db2.gz KQMNFIOUKWBWMO-YOWGUQMCSA-N 2 1 309.404 3.497 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619028 661586985 /nfs/dbraw/zinc/58/69/85/661586985.db2.gz DJSWRGXQQZZIFO-OAHLLOKOSA-N 2 1 319.518 3.296 20 0 DGADMP Cc1csc(C[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000933129407 661619088 /nfs/dbraw/zinc/61/90/88/661619088.db2.gz JGKFQRBNALGQML-HOTGVXAUSA-N 2 1 307.507 3.190 20 0 DGADMP C[C@@H]1CSCCC[NH+]1C/C=C\C[N@@H+]1CCCSC[C@H]1C ZINC000934296463 661694185 /nfs/dbraw/zinc/69/41/85/661694185.db2.gz IEKYSJJIGPFIJK-JGPFYOFESA-N 2 1 314.564 3.197 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000188067553 661913949 /nfs/dbraw/zinc/91/39/49/661913949.db2.gz AEQLFCRFVXDBHW-CHWSQXEVSA-N 2 1 311.813 3.211 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191266950 662058205 /nfs/dbraw/zinc/05/82/05/662058205.db2.gz YICIOGKJDBDLOU-UHFFFAOYSA-N 2 1 314.832 3.348 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)COCc1ccccc1 ZINC000192758950 662110552 /nfs/dbraw/zinc/11/05/52/662110552.db2.gz GRUTZRBOKPCWRN-BPIHKTFHSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000246816916 662283881 /nfs/dbraw/zinc/28/38/81/662283881.db2.gz AXZZTTOTDWSMAP-FUHWJXTLSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2cc1C ZINC000246816916 662283882 /nfs/dbraw/zinc/28/38/82/662283882.db2.gz AXZZTTOTDWSMAP-FUHWJXTLSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2cc1C ZINC000246816916 662283884 /nfs/dbraw/zinc/28/38/84/662283884.db2.gz AXZZTTOTDWSMAP-FUHWJXTLSA-N 2 1 312.461 3.027 20 0 DGADMP c1cc2c(nc[nH+]c2NCCCCCCC[NH+]2CCCC2)[nH]1 ZINC000726967020 685276698 /nfs/dbraw/zinc/27/66/98/685276698.db2.gz IJDHWVLJSBSXFI-UHFFFAOYSA-N 2 1 301.438 3.368 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000380950000 685154012 /nfs/dbraw/zinc/15/40/12/685154012.db2.gz QOVJFJRNYDKBPQ-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384673901 685171951 /nfs/dbraw/zinc/17/19/51/685171951.db2.gz YNWWVRVGYSVLFL-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@H]21 ZINC000388551238 685189578 /nfs/dbraw/zinc/18/95/78/685189578.db2.gz FXEHOPPAQIPHAS-NUEKZKHPSA-N 2 1 315.848 3.447 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@H]21 ZINC000388551238 685189583 /nfs/dbraw/zinc/18/95/83/685189583.db2.gz FXEHOPPAQIPHAS-NUEKZKHPSA-N 2 1 315.848 3.447 20 0 DGADMP Cc1cc(C)c(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c(Cl)c1 ZINC000388894878 685191169 /nfs/dbraw/zinc/19/11/69/685191169.db2.gz AGROMDJSAYLKNI-UHFFFAOYSA-N 2 1 323.868 3.097 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396936981 685228751 /nfs/dbraw/zinc/22/87/51/685228751.db2.gz ZPIMBBSBLWUDIU-MJGOQNOKSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001576478586 1191826091 /nfs/dbraw/zinc/82/60/91/1191826091.db2.gz DZFPHRRCPYQLHB-WMZOPIPTSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@]1(C[NH2+]Cc2cccc(Br)c2Cl)CC[NH2+]C1 ZINC001576526445 1191839600 /nfs/dbraw/zinc/83/96/00/1191839600.db2.gz SFXHCPRZNRQLFR-ZDUSSCGKSA-N 2 1 317.658 3.192 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(F)cc1Cl ZINC001620777698 1191843052 /nfs/dbraw/zinc/84/30/52/1191843052.db2.gz GAJRIUDWCNUQJZ-UHFFFAOYSA-N 2 1 307.800 3.272 20 0 DGADMP C[C@H]1C[C@H](C[NH2+]CC(F)(F)c2ccc(F)cc2F)CC[NH2+]1 ZINC001576598065 1191851298 /nfs/dbraw/zinc/85/12/98/1191851298.db2.gz KDKANEDWWCXWOJ-WDEREUQCSA-N 2 1 304.331 3.034 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc(Cl)c(F)c2)C[C@@H]1C[NH3+] ZINC001576599573 1191851331 /nfs/dbraw/zinc/85/13/31/1191851331.db2.gz TYRFRFPURPWSLN-AGIUHOORSA-N 2 1 314.832 3.163 20 0 DGADMP C[C@@H]1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)C[C@@H](C)O1 ZINC001576598846 1191852600 /nfs/dbraw/zinc/85/26/00/1191852600.db2.gz OOPDGEXYGVFNLJ-YAJHFMINSA-N 2 1 316.489 3.315 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647431 1191858069 /nfs/dbraw/zinc/85/80/69/1191858069.db2.gz GGYWUSKPYCGHMK-PJVZLEMVSA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647431 1191858070 /nfs/dbraw/zinc/85/80/70/1191858070.db2.gz GGYWUSKPYCGHMK-PJVZLEMVSA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647431 1191858073 /nfs/dbraw/zinc/85/80/73/1191858073.db2.gz GGYWUSKPYCGHMK-PJVZLEMVSA-N 2 1 307.526 3.089 20 0 DGADMP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001576669468 1191860919 /nfs/dbraw/zinc/86/09/19/1191860919.db2.gz QNGIFGNZWOHWON-LIRRHRJNSA-N 2 1 311.429 3.335 20 0 DGADMP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001576669466 1191861180 /nfs/dbraw/zinc/86/11/80/1191861180.db2.gz QNGIFGNZWOHWON-IFXJQAMLSA-N 2 1 311.429 3.335 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@@H]1C[NH3+] ZINC001576732795 1191866487 /nfs/dbraw/zinc/86/64/87/1191866487.db2.gz XRVUUJYQWQMXSV-QWRGUYRKSA-N 2 1 309.866 3.366 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001576809257 1191869813 /nfs/dbraw/zinc/86/98/13/1191869813.db2.gz RHDUISFCBQDEES-MNOVXSKESA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001576809257 1191869817 /nfs/dbraw/zinc/86/98/17/1191869817.db2.gz RHDUISFCBQDEES-MNOVXSKESA-N 2 1 320.330 3.141 20 0 DGADMP CCC(CC)(C[NH3+])C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC001577051513 1191881752 /nfs/dbraw/zinc/88/17/52/1191881752.db2.gz RXXJFOXQDCHEOR-SFHVURJKSA-N 2 1 304.478 3.433 20 0 DGADMP CCC(CC)([NH2+]C[C@H](O)C[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC001577060554 1191882648 /nfs/dbraw/zinc/88/26/48/1191882648.db2.gz DTUXJPBXQOHTFE-GFCCVEGCSA-N 2 1 319.276 3.179 20 0 DGADMP CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001577312694 1191892904 /nfs/dbraw/zinc/89/29/04/1191892904.db2.gz KYVACHDCVBZZAD-KRWDZBQOSA-N 2 1 318.461 3.013 20 0 DGADMP CCCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ncsc2C1 ZINC001577454573 1191903461 /nfs/dbraw/zinc/90/34/61/1191903461.db2.gz JHOHHEGVMLVUEG-OAHLLOKOSA-N 2 1 307.507 3.102 20 0 DGADMP CCNc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC001577902226 1191918278 /nfs/dbraw/zinc/91/82/78/1191918278.db2.gz LAUUNJLHMYBHBY-CQSZACIVSA-N 2 1 322.522 3.177 20 0 DGADMP CC[C@H]1CCC[C@H](C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC001660459080 1196486021 /nfs/dbraw/zinc/48/60/21/1196486021.db2.gz YWMIJXYVIRQGFW-HKUYNNGSSA-N 2 1 310.526 3.493 20 0 DGADMP C[N@@H+](CCN1CCCC[C@H]1C1(C[NH3+])CCC1)Cc1ccccc1 ZINC001578471354 1191944817 /nfs/dbraw/zinc/94/48/17/1191944817.db2.gz FBNPOVCBXLXZMJ-IBGZPJMESA-N 2 1 315.505 3.102 20 0 DGADMP CN(CC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1)Cc1ccccc1 ZINC001578471354 1191944820 /nfs/dbraw/zinc/94/48/20/1191944820.db2.gz FBNPOVCBXLXZMJ-IBGZPJMESA-N 2 1 315.505 3.102 20 0 DGADMP CN(CC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1)Cc1ccccc1 ZINC001578471354 1191944823 /nfs/dbraw/zinc/94/48/23/1191944823.db2.gz FBNPOVCBXLXZMJ-IBGZPJMESA-N 2 1 315.505 3.102 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001578486359 1191946789 /nfs/dbraw/zinc/94/67/89/1191946789.db2.gz NLXLVTFQTRVEEB-WDMOLILDSA-N 2 1 317.260 3.086 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(C(F)(F)F)c1 ZINC001579149001 1191967165 /nfs/dbraw/zinc/96/71/65/1191967165.db2.gz JUQQSDHTNFTCBV-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001579192641 1191968302 /nfs/dbraw/zinc/96/83/02/1191968302.db2.gz DLKPHFNZEHNNBV-APWZRJJASA-N 2 1 302.462 3.264 20 0 DGADMP COc1ccc2c(c1)CCC[N@H+](C[C@H]1CC[C@H](C[NH3+])CC1)C2 ZINC001579243466 1191969876 /nfs/dbraw/zinc/96/98/76/1191969876.db2.gz FUDSBVSLKBVYOH-WKILWMFISA-N 2 1 302.462 3.209 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]Cc2cc(C(C)(C)[NH3+])no2)cc1C ZINC001579237850 1191970020 /nfs/dbraw/zinc/97/00/20/1191970020.db2.gz SZKALXAZRKUBRT-GFCCVEGCSA-N 2 1 303.406 3.036 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC001579510039 1191978146 /nfs/dbraw/zinc/97/81/46/1191978146.db2.gz RBNHVIVIYMPYCB-IEBWSBKVSA-N 2 1 316.565 3.196 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC001579485780 1191978158 /nfs/dbraw/zinc/97/81/58/1191978158.db2.gz PDHQSOXXMUVLMH-JXFKEZNVSA-N 2 1 310.441 3.119 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C ZINC001579547397 1191979663 /nfs/dbraw/zinc/97/96/63/1191979663.db2.gz IAKQFZZQHRUNFS-VQIMIIECSA-N 2 1 312.461 3.178 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001579755191 1191991192 /nfs/dbraw/zinc/99/11/92/1191991192.db2.gz UWWQAEUHZNQNFK-HKUYNNGSSA-N 2 1 302.462 3.133 20 0 DGADMP Clc1ccc2[nH]c3c(c2c1)C[N@@H+](CC1CC[NH2+]CC1)CC3 ZINC001579939028 1191999968 /nfs/dbraw/zinc/99/99/68/1191999968.db2.gz SPTJUZLVXDKRJL-UHFFFAOYSA-N 2 1 303.837 3.179 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC001579872731 1191997546 /nfs/dbraw/zinc/99/75/46/1191997546.db2.gz OWCFLOYWOQKWIC-KRWDZBQOSA-N 2 1 314.477 3.328 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCOC2(CCC([NH3+])CC2)C1 ZINC001579927114 1191999597 /nfs/dbraw/zinc/99/95/97/1191999597.db2.gz KCXKTZOUXXQDIF-UHFFFAOYSA-N 2 1 320.477 3.358 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCOC2(CCC([NH3+])CC2)C1 ZINC001579927114 1191999599 /nfs/dbraw/zinc/99/95/99/1191999599.db2.gz KCXKTZOUXXQDIF-UHFFFAOYSA-N 2 1 320.477 3.358 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)CC(F)(F)F ZINC001580131743 1192009346 /nfs/dbraw/zinc/00/93/46/1192009346.db2.gz GZLUMYIAKSIAAM-QLFBSQMISA-N 2 1 300.368 3.267 20 0 DGADMP [NH3+][C@H](C[NH2+]CCCCOc1ccc(Cl)cc1)CC(F)(F)F ZINC001580133411 1192009367 /nfs/dbraw/zinc/00/93/67/1192009367.db2.gz YCQCKFMVIRPSMC-LBPRGKRZSA-N 2 1 324.774 3.368 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](c2ccccc2)C1 ZINC001580880766 1192043282 /nfs/dbraw/zinc/04/32/82/1192043282.db2.gz XTOIDGFIZQVPFS-TZIWHRDSSA-N 2 1 322.452 3.030 20 0 DGADMP Oc1cccc2sc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001580887998 1192044194 /nfs/dbraw/zinc/04/41/94/1192044194.db2.gz CSWICVBLTUTEPQ-KRWDZBQOSA-N 2 1 302.443 3.182 20 0 DGADMP Oc1cccc2sc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001580887998 1192044196 /nfs/dbraw/zinc/04/41/96/1192044196.db2.gz CSWICVBLTUTEPQ-KRWDZBQOSA-N 2 1 302.443 3.182 20 0 DGADMP c1c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC001580888761 1192044235 /nfs/dbraw/zinc/04/42/35/1192044235.db2.gz YGKGLJBSMDNKTC-GJZGRUSLSA-N 2 1 320.502 3.032 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001620653460 1192059573 /nfs/dbraw/zinc/05/95/73/1192059573.db2.gz DOYSOCAEMAIPLM-LJQANCHMSA-N 2 1 316.489 3.182 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001620653460 1192059575 /nfs/dbraw/zinc/05/95/75/1192059575.db2.gz DOYSOCAEMAIPLM-LJQANCHMSA-N 2 1 316.489 3.182 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC001620810189 1192104441 /nfs/dbraw/zinc/10/44/41/1192104441.db2.gz HEIDUPCWAZJTKY-UHFFFAOYSA-N 2 1 323.872 3.272 20 0 DGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001620810728 1192105652 /nfs/dbraw/zinc/10/56/52/1192105652.db2.gz ZBROEXPOMJVFGQ-WOJBJXKFSA-N 2 1 316.489 3.039 20 0 DGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001620810728 1192105653 /nfs/dbraw/zinc/10/56/53/1192105653.db2.gz ZBROEXPOMJVFGQ-WOJBJXKFSA-N 2 1 316.489 3.039 20 0 DGADMP COc1ccc(SCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001664470367 1197003008 /nfs/dbraw/zinc/00/30/08/1197003008.db2.gz BKPQNINNZMJKCZ-UHFFFAOYSA-N 2 1 308.491 3.205 20 0 DGADMP c1ccc(OCc2cccc(C[NH2+]CCC[NH+]3CCC3)c2)cc1 ZINC001620888989 1192557545 /nfs/dbraw/zinc/55/75/45/1192557545.db2.gz BMCOLZXHFOODRD-UHFFFAOYSA-N 2 1 310.441 3.451 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000394803294 1176753799 /nfs/dbraw/zinc/75/37/99/1176753799.db2.gz NDTTYIJDMMODTA-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000394801242 1176761287 /nfs/dbraw/zinc/76/12/87/1176761287.db2.gz TZRHYJRJJNJTMQ-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP C[C@@H]1CC([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000339013347 1177787838 /nfs/dbraw/zinc/78/78/38/1177787838.db2.gz WPEPAODQMZWXTA-ZHALLVOQSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000339013347 1177787845 /nfs/dbraw/zinc/78/78/45/1177787845.db2.gz WPEPAODQMZWXTA-ZHALLVOQSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000339013347 1177787855 /nfs/dbraw/zinc/78/78/55/1177787855.db2.gz WPEPAODQMZWXTA-ZHALLVOQSA-N 2 1 316.489 3.396 20 0 DGADMP Cn1cncc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276144872 1177943102 /nfs/dbraw/zinc/94/31/02/1177943102.db2.gz JQPIYPVAADDDBP-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC000227372355 1178028504 /nfs/dbraw/zinc/02/85/04/1178028504.db2.gz OBEOUYKGOSDNDR-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC000227372355 1178028512 /nfs/dbraw/zinc/02/85/12/1178028512.db2.gz OBEOUYKGOSDNDR-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC001331417591 1178208283 /nfs/dbraw/zinc/20/82/83/1178208283.db2.gz CPEGGYCNACJCLH-LBPRGKRZSA-N 2 1 320.868 3.230 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC001331419987 1178209383 /nfs/dbraw/zinc/20/93/83/1178209383.db2.gz SYPPPHHPAMCDMT-SSDOTTSWSA-N 2 1 311.676 3.252 20 0 DGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331506061 1178229918 /nfs/dbraw/zinc/22/99/18/1178229918.db2.gz WYEWAQZJYDAWEI-COXVUDFISA-N 2 1 308.441 3.100 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC001333041924 1178546509 /nfs/dbraw/zinc/54/65/09/1178546509.db2.gz RUYRYIVJNQHQNR-QGZVFWFLSA-N 2 1 310.445 3.104 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001333585551 1178631979 /nfs/dbraw/zinc/63/19/79/1178631979.db2.gz CVSCVNPAAQBOLS-UFYCRDLUSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001333585551 1178631984 /nfs/dbraw/zinc/63/19/84/1178631984.db2.gz CVSCVNPAAQBOLS-UFYCRDLUSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001333585551 1178631986 /nfs/dbraw/zinc/63/19/86/1178631986.db2.gz CVSCVNPAAQBOLS-UFYCRDLUSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001333585551 1178631987 /nfs/dbraw/zinc/63/19/87/1178631987.db2.gz CVSCVNPAAQBOLS-UFYCRDLUSA-N 2 1 316.489 3.089 20 0 DGADMP c1cc2c(c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n1)CCCC2 ZINC001333681355 1178652174 /nfs/dbraw/zinc/65/21/74/1178652174.db2.gz OJCAFYZAZYCMRL-QGZVFWFLSA-N 2 1 313.489 3.268 20 0 DGADMP c1cc2c(c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n1)CCCC2 ZINC001333681355 1178652179 /nfs/dbraw/zinc/65/21/79/1178652179.db2.gz OJCAFYZAZYCMRL-QGZVFWFLSA-N 2 1 313.489 3.268 20 0 DGADMP CSc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)o1 ZINC001333705158 1178656618 /nfs/dbraw/zinc/65/66/18/1178656618.db2.gz MTDQUXMKHWJCFZ-CYBMUJFWSA-N 2 1 305.447 3.190 20 0 DGADMP CSc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC001333705158 1178656622 /nfs/dbraw/zinc/65/66/22/1178656622.db2.gz MTDQUXMKHWJCFZ-CYBMUJFWSA-N 2 1 305.447 3.190 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC001333893032 1178691546 /nfs/dbraw/zinc/69/15/46/1178691546.db2.gz WOWCRLLEYWVKHE-RYQLBKOJSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)C[C@@H]2C1 ZINC001333891052 1178691712 /nfs/dbraw/zinc/69/17/12/1178691712.db2.gz ISACESLKYGTLRJ-HZSPNIEDSA-N 2 1 322.884 3.103 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC001334355253 1178753245 /nfs/dbraw/zinc/75/32/45/1178753245.db2.gz BAXSUFJGYOQNOX-GBESFXJTSA-N 2 1 309.457 3.397 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(COC(C)=O)c2)C1 ZINC001334732515 1178787702 /nfs/dbraw/zinc/78/77/02/1178787702.db2.gz QJLVRIWHSAOLHF-YJBOKZPZSA-N 2 1 318.461 3.132 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nccc4ccccc43)C[C@H]2C1 ZINC001335582345 1178933769 /nfs/dbraw/zinc/93/37/69/1178933769.db2.gz LBARRRXIBLDPQS-KZNAEPCWSA-N 2 1 309.457 3.397 20 0 DGADMP CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001341569178 1179030703 /nfs/dbraw/zinc/03/07/03/1179030703.db2.gz MLVAJVUPQRUDSB-FUHWJXTLSA-N 2 1 322.518 3.343 20 0 DGADMP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001342381835 1179135520 /nfs/dbraw/zinc/13/55/20/1179135520.db2.gz XGGPCIQTWPDXRJ-IAQYHMDHSA-N 2 1 311.857 3.104 20 0 DGADMP C[C@H]1CCc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001342758780 1179183838 /nfs/dbraw/zinc/18/38/38/1179183838.db2.gz NYIBIVRFZGQHEH-UXDRXVOSSA-N 2 1 313.489 3.043 20 0 DGADMP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1 ZINC001342899495 1179205980 /nfs/dbraw/zinc/20/59/80/1179205980.db2.gz YNSVSVZDCDYOJV-DNOWBOINSA-N 2 1 306.400 3.285 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@H]2C1 ZINC001343332697 1179257638 /nfs/dbraw/zinc/25/76/38/1179257638.db2.gz HSFUINUOODWZFX-ARFHVFGLSA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@@H]2C1 ZINC001343332398 1179257723 /nfs/dbraw/zinc/25/77/23/1179257723.db2.gz CMTRDCPQKQONRH-SOUVJXGZSA-N 2 1 305.491 3.183 20 0 DGADMP COCCCC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CCC1 ZINC001343332002 1179257738 /nfs/dbraw/zinc/25/77/38/1179257738.db2.gz ADCWPIHYDFCOLY-OKZBNKHCSA-N 2 1 308.510 3.245 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343335946 1179258201 /nfs/dbraw/zinc/25/82/01/1179258201.db2.gz ZBHQSHOVSMJOHD-JZXOWHBKSA-N 2 1 302.462 3.166 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC001345100634 1179526210 /nfs/dbraw/zinc/52/62/10/1179526210.db2.gz SOIXYMLXUAATOB-OWCLPIDISA-N 2 1 312.461 3.130 20 0 DGADMP c1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)onc1-c1ccccc1 ZINC001349390307 1179901029 /nfs/dbraw/zinc/90/10/29/1179901029.db2.gz UQSVIXYBKRDLKE-UHFFFAOYSA-N 2 1 311.429 3.307 20 0 DGADMP CC(C)(C)c1csc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)n1 ZINC001350958494 1180150996 /nfs/dbraw/zinc/15/09/96/1180150996.db2.gz UFEIPXHXKZKXPE-ZDUSSCGKSA-N 2 1 307.507 3.247 20 0 DGADMP Cn1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc2ccccc21 ZINC001352112030 1180297345 /nfs/dbraw/zinc/29/73/45/1180297345.db2.gz LAJLQPVLYJSWFS-OKZBNKHCSA-N 2 1 311.473 3.340 20 0 DGADMP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cs1 ZINC001352111377 1180297749 /nfs/dbraw/zinc/29/77/49/1180297749.db2.gz FXJCTTPKFQGMCO-DZKIICNBSA-N 2 1 307.507 3.429 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ncc(Cl)c3C3CC3)C[C@H]2C1 ZINC001352758707 1180394628 /nfs/dbraw/zinc/39/46/28/1180394628.db2.gz BQHIJUZHDDVWHA-RBSFLKMASA-N 2 1 322.884 3.034 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC001200243635 1180480679 /nfs/dbraw/zinc/48/06/79/1180480679.db2.gz LMGYYWYMRVNOBL-PKOBYXMFSA-N 2 1 304.478 3.433 20 0 DGADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001200823433 1180941621 /nfs/dbraw/zinc/94/16/21/1180941621.db2.gz YZPGZEGJDHKHDT-UHFFFAOYSA-N 2 1 310.445 3.160 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC001355263665 1181022707 /nfs/dbraw/zinc/02/27/07/1181022707.db2.gz MUGHLCOSBKCIFH-MNOVXSKESA-N 2 1 321.412 3.210 20 0 DGADMP CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001355425827 1181054335 /nfs/dbraw/zinc/05/43/35/1181054335.db2.gz IVPAYPPCXZJBEM-SFHVURJKSA-N 2 1 318.465 3.022 20 0 DGADMP CN(CC[N@@H+](C)C[C@@H]1CCCCC1(C)C)C1CC[NH+](C)CC1 ZINC001473346261 1181451454 /nfs/dbraw/zinc/45/14/54/1181451454.db2.gz WDCKGGVMVPKZOY-KRWDZBQOSA-N 2 1 309.542 3.161 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)[C@H](C)C1 ZINC001413959371 1181754082 /nfs/dbraw/zinc/75/40/82/1181754082.db2.gz BIEQMGUIAUSRTD-KDOFPFPSSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@H](C)C1 ZINC001413959371 1181754088 /nfs/dbraw/zinc/75/40/88/1181754088.db2.gz BIEQMGUIAUSRTD-KDOFPFPSSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@H](C)C1 ZINC001413959371 1181754092 /nfs/dbraw/zinc/75/40/92/1181754092.db2.gz BIEQMGUIAUSRTD-KDOFPFPSSA-N 2 1 313.445 3.103 20 0 DGADMP C[N@@H+]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1C(C)(C)C ZINC001458556594 1182540103 /nfs/dbraw/zinc/54/01/03/1182540103.db2.gz LXHLLRTXOHLSPO-CYBMUJFWSA-N 2 1 301.356 3.267 20 0 DGADMP C[N@H+]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1C(C)(C)C ZINC001458556594 1182540104 /nfs/dbraw/zinc/54/01/04/1182540104.db2.gz LXHLLRTXOHLSPO-CYBMUJFWSA-N 2 1 301.356 3.267 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC001460627113 1182702076 /nfs/dbraw/zinc/70/20/76/1182702076.db2.gz OJJQADCNFIASCH-QGZVFWFLSA-N 2 1 304.482 3.113 20 0 DGADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001460718319 1182712649 /nfs/dbraw/zinc/71/26/49/1182712649.db2.gz KUXCIBYZIXVYCM-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460718319 1182712654 /nfs/dbraw/zinc/71/26/54/1182712654.db2.gz KUXCIBYZIXVYCM-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460718319 1182712660 /nfs/dbraw/zinc/71/26/60/1182712660.db2.gz KUXCIBYZIXVYCM-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](C[C@@H]4CCCC(C)(C)O4)C[C@@]2(C1)CCCC3 ZINC001460968811 1182747816 /nfs/dbraw/zinc/74/78/16/1182747816.db2.gz CGRCPCKDCXRWMT-YTQUADARSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](C[C@@H]4CCCC(C)(C)O4)C[C@@]2(C1)CCCC3 ZINC001460968811 1182747820 /nfs/dbraw/zinc/74/78/20/1182747820.db2.gz CGRCPCKDCXRWMT-YTQUADARSA-N 2 1 306.494 3.142 20 0 DGADMP Cc1ccc(F)cc1CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001460975082 1182748410 /nfs/dbraw/zinc/74/84/10/1182748410.db2.gz NSJNJXPPAYZCDD-KDURUIRLSA-N 2 1 302.437 3.442 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001460975082 1182748430 /nfs/dbraw/zinc/74/84/30/1182748430.db2.gz NSJNJXPPAYZCDD-KDURUIRLSA-N 2 1 302.437 3.442 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001460975082 1182748437 /nfs/dbraw/zinc/74/84/37/1182748437.db2.gz NSJNJXPPAYZCDD-KDURUIRLSA-N 2 1 302.437 3.442 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)[C@@H]2C1 ZINC001461832144 1182864211 /nfs/dbraw/zinc/86/42/11/1182864211.db2.gz SWZAHOYFMCOZLC-CYZMBNFOSA-N 2 1 321.877 3.380 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001461829483 1182865132 /nfs/dbraw/zinc/86/51/32/1182865132.db2.gz KYPAHKGJTFGWAY-ATZDWAIDSA-N 2 1 310.441 3.278 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001462222367 1182924683 /nfs/dbraw/zinc/92/46/83/1182924683.db2.gz NIKGMYDOYHHAGZ-NXHRZFHOSA-N 2 1 302.462 3.090 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001462222367 1182924688 /nfs/dbraw/zinc/92/46/88/1182924688.db2.gz NIKGMYDOYHHAGZ-NXHRZFHOSA-N 2 1 302.462 3.090 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)cccc12 ZINC001462520561 1182964093 /nfs/dbraw/zinc/96/40/93/1182964093.db2.gz FCOCVZASHPWDNL-LPHOPBHVSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)cccc12 ZINC001462520561 1182964098 /nfs/dbraw/zinc/96/40/98/1182964098.db2.gz FCOCVZASHPWDNL-LPHOPBHVSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cccc12 ZINC001462520561 1182964102 /nfs/dbraw/zinc/96/41/02/1182964102.db2.gz FCOCVZASHPWDNL-LPHOPBHVSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC001462547312 1182966965 /nfs/dbraw/zinc/96/69/65/1182966965.db2.gz FTUSZCXVXCHPKY-ZWKOTPCHSA-N 2 1 321.468 3.397 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001462672094 1182984009 /nfs/dbraw/zinc/98/40/09/1182984009.db2.gz ISNVCNIKNXKFBF-LBPRGKRZSA-N 2 1 308.495 3.223 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCC3(C[NH+](C)C)CCCC3)c12 ZINC001472754132 1183677133 /nfs/dbraw/zinc/67/71/33/1183677133.db2.gz YWRKBTQQEMVGMX-UHFFFAOYSA-N 2 1 301.438 3.054 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](CCC)C(=O)OCC)CC1 ZINC001473111347 1183717498 /nfs/dbraw/zinc/71/74/98/1183717498.db2.gz SBKVJJSFSVPIAL-QGZVFWFLSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001473192351 1183727068 /nfs/dbraw/zinc/72/70/68/1183727068.db2.gz UCJIIARFGMLHNW-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC001473198533 1183728983 /nfs/dbraw/zinc/72/89/83/1183728983.db2.gz NHNJOFNYMRKMPI-HXUWFJFHSA-N 2 1 318.505 3.480 20 0 DGADMP C[N@@H+](CCN1CCC(C)([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC001473695076 1183789971 /nfs/dbraw/zinc/78/99/71/1183789971.db2.gz DVOSOOZVJMVMJG-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP COc1cc(F)cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001473935493 1183832544 /nfs/dbraw/zinc/83/25/44/1183832544.db2.gz GZODXOQXVZRNOS-GASCZTMLSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cc(F)cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001473935493 1183832549 /nfs/dbraw/zinc/83/25/49/1183832549.db2.gz GZODXOQXVZRNOS-GASCZTMLSA-N 2 1 308.441 3.292 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC001473988374 1183843652 /nfs/dbraw/zinc/84/36/52/1183843652.db2.gz BGRKOBRWQQFTLG-HNNXBMFYSA-N 2 1 318.490 3.144 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C2 ZINC001473992611 1183845795 /nfs/dbraw/zinc/84/57/95/1183845795.db2.gz ITGUGWPKEHDEIC-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C2 ZINC001473992611 1183845799 /nfs/dbraw/zinc/84/57/99/1183845799.db2.gz ITGUGWPKEHDEIC-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C2 ZINC001473992610 1183846059 /nfs/dbraw/zinc/84/60/59/1183846059.db2.gz ITGUGWPKEHDEIC-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C2 ZINC001473992610 1183846061 /nfs/dbraw/zinc/84/60/61/1183846061.db2.gz ITGUGWPKEHDEIC-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC001474174485 1183877385 /nfs/dbraw/zinc/87/73/85/1183877385.db2.gz RDVUOQIPNAIPDA-AEFFLSMTSA-N 2 1 316.489 3.264 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC001474302655 1183900715 /nfs/dbraw/zinc/90/07/15/1183900715.db2.gz CFMXTKRXADXGJO-KSZLIROESA-N 2 1 314.473 3.220 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC001474303157 1183901000 /nfs/dbraw/zinc/90/10/00/1183901000.db2.gz RMJITJUPQGQLKA-QEJZJMRPSA-N 2 1 314.351 3.015 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSc2ccc(OC)cc2)[C@H](C)C1 ZINC001474319615 1183904084 /nfs/dbraw/zinc/90/40/84/1183904084.db2.gz YRCXSQLHFXVNMN-CRAIPNDOSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSc2ccc(OC)cc2)[C@H](C)C1 ZINC001474319615 1183904089 /nfs/dbraw/zinc/90/40/89/1183904089.db2.gz YRCXSQLHFXVNMN-CRAIPNDOSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)CC1 ZINC001474375160 1183912298 /nfs/dbraw/zinc/91/22/98/1183912298.db2.gz OZMCEFOBQJHARQ-FQEVSTJZSA-N 2 1 316.489 3.090 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC001474440902 1183922428 /nfs/dbraw/zinc/92/24/28/1183922428.db2.gz ZNLQWVGWWGUCGH-UHFFFAOYSA-N 2 1 315.436 3.397 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC001474440902 1183922432 /nfs/dbraw/zinc/92/24/32/1183922432.db2.gz ZNLQWVGWWGUCGH-UHFFFAOYSA-N 2 1 315.436 3.397 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(OC)c2)C1 ZINC001474507563 1183932954 /nfs/dbraw/zinc/93/29/54/1183932954.db2.gz BAEAHXLZSMVZBX-ABHNRTSZSA-N 2 1 302.462 3.405 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(OC)c2)C1 ZINC001474507563 1183932957 /nfs/dbraw/zinc/93/29/57/1183932957.db2.gz BAEAHXLZSMVZBX-ABHNRTSZSA-N 2 1 302.462 3.405 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)CC1 ZINC001474710424 1183965543 /nfs/dbraw/zinc/96/55/43/1183965543.db2.gz FBZFURWIMSSPII-KRWDZBQOSA-N 2 1 321.534 3.438 20 0 DGADMP CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001480317224 1184490597 /nfs/dbraw/zinc/49/05/97/1184490597.db2.gz AIDKAQCYFSTWGB-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001498353357 1185474819 /nfs/dbraw/zinc/47/48/19/1185474819.db2.gz URIGWZQWRVTBJH-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498353357 1185474821 /nfs/dbraw/zinc/47/48/21/1185474821.db2.gz URIGWZQWRVTBJH-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498353357 1185474824 /nfs/dbraw/zinc/47/48/24/1185474824.db2.gz URIGWZQWRVTBJH-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001505781240 1186138555 /nfs/dbraw/zinc/13/85/55/1186138555.db2.gz XTTHLGVJWSUOAJ-DAWZGUTISA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184462 1193517109 /nfs/dbraw/zinc/51/71/09/1193517109.db2.gz KTNPJUMHKBRFRH-MOPGFXCFSA-N 2 1 318.505 3.434 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184462 1193517112 /nfs/dbraw/zinc/51/71/12/1193517112.db2.gz KTNPJUMHKBRFRH-MOPGFXCFSA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184462 1193517116 /nfs/dbraw/zinc/51/71/16/1193517116.db2.gz KTNPJUMHKBRFRH-MOPGFXCFSA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184462 1193517117 /nfs/dbraw/zinc/51/71/17/1193517117.db2.gz KTNPJUMHKBRFRH-MOPGFXCFSA-N 2 1 318.505 3.434 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CC(C)(C)CO1 ZINC001615664857 1193525565 /nfs/dbraw/zinc/52/55/65/1193525565.db2.gz HANYTBGVXOKTSV-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CC(C)(C)CO1 ZINC001615664857 1193525568 /nfs/dbraw/zinc/52/55/68/1193525568.db2.gz HANYTBGVXOKTSV-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CC(C)(C)CO1 ZINC001615664857 1193525571 /nfs/dbraw/zinc/52/55/71/1193525571.db2.gz HANYTBGVXOKTSV-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC001542840776 1188306048 /nfs/dbraw/zinc/30/60/48/1188306048.db2.gz VJDRNORHJBSDEX-UHFFFAOYSA-N 2 1 317.477 3.343 20 0 DGADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)c(C[NH+](C)C)c1 ZINC001543742682 1188361483 /nfs/dbraw/zinc/36/14/83/1188361483.db2.gz GSUDUDDFDYBVCI-MRXNPFEDSA-N 2 1 317.477 3.116 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001549087466 1188492319 /nfs/dbraw/zinc/49/23/19/1188492319.db2.gz MBYANZCSEQHVHL-AZUAARDMSA-N 2 1 307.441 3.309 20 0 DGADMP COc1cc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)ccc1OC(C)C ZINC001549087323 1188492892 /nfs/dbraw/zinc/49/28/92/1188492892.db2.gz BXSYDLRIMNPMJU-APWZRJJASA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC001549087623 1188493632 /nfs/dbraw/zinc/49/36/32/1188493632.db2.gz IGNFJBVPXKSYIH-OMZCVMJRSA-N 2 1 314.473 3.369 20 0 DGADMP c1ccc([C@@H]2C[C@@H]3[C@@H](CCC[N@@H+]3CC[C@H]3CCC[NH2+]C3)O2)cc1 ZINC001549112954 1188495945 /nfs/dbraw/zinc/49/59/45/1188495945.db2.gz GFCYVDYWSMHWTR-AFYVEPGGSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]3[C@H](CCC[N@@H+]3CC[C@H]3CCC[NH2+]C3)O2)cc1 ZINC001549112955 1188496203 /nfs/dbraw/zinc/49/62/03/1188496203.db2.gz GFCYVDYWSMHWTR-LMCOJAPRSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549116802 1188496823 /nfs/dbraw/zinc/49/68/23/1188496823.db2.gz OTIOYMBFCFWPJM-RHSMWYFYSA-N 2 1 317.458 3.272 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549116802 1188496831 /nfs/dbraw/zinc/49/68/31/1188496831.db2.gz OTIOYMBFCFWPJM-RHSMWYFYSA-N 2 1 317.458 3.272 20 0 DGADMP COCc1csc(C[N@H+]2CCC[C@H](c3cncn3C)C2)c1 ZINC001549368211 1188514235 /nfs/dbraw/zinc/51/42/35/1188514235.db2.gz MZUNUZBTGKHHTE-AWEZNQCLSA-N 2 1 305.447 3.008 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC001549774518 1188540490 /nfs/dbraw/zinc/54/04/90/1188540490.db2.gz FNKKGCOIGOGTBX-CUWPLCDZSA-N 2 1 321.468 3.394 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001549775113 1188540603 /nfs/dbraw/zinc/54/06/03/1188540603.db2.gz LCSRJMXVPRYCOA-DLBZAZTESA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC001617401391 1193568264 /nfs/dbraw/zinc/56/82/64/1193568264.db2.gz NEQDAKLTSTXIND-ONCXSQPRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@]12C[NH2+]C[C@]1(C)C[NH+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001550174588 1188590186 /nfs/dbraw/zinc/59/01/86/1188590186.db2.gz DCBMWGUJJPQXSS-VNTMZGSJSA-N 2 1 314.473 3.228 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001550350131 1188609029 /nfs/dbraw/zinc/60/90/29/1188609029.db2.gz INPZQVJBIQCINB-DZGCQCFKSA-N 2 1 313.470 3.024 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001550350131 1188609032 /nfs/dbraw/zinc/60/90/32/1188609032.db2.gz INPZQVJBIQCINB-DZGCQCFKSA-N 2 1 313.470 3.024 20 0 DGADMP FC1(F)[C@@H](c2ccccc2)[C@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001550349047 1188609095 /nfs/dbraw/zinc/60/90/95/1188609095.db2.gz KUCNAXLEOPJCIG-TVFCKZIOSA-N 2 1 320.427 3.499 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001550350160 1188609106 /nfs/dbraw/zinc/60/91/06/1188609106.db2.gz JLLVQELFSFDQLL-DLTLXFJOSA-N 2 1 308.853 3.229 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@H]1CCC[C@@H](C3CC3)C1)[C@@H](O)C2 ZINC001550349762 1188609329 /nfs/dbraw/zinc/60/93/29/1188609329.db2.gz CACZOKCAJVKIIG-XUFBONQXSA-N 2 1 320.521 3.025 20 0 DGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)c1 ZINC001550355487 1188609973 /nfs/dbraw/zinc/60/99/73/1188609973.db2.gz XVECJWRWLWNBSN-ZDNSCYFHSA-N 2 1 316.489 3.125 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O)c1ccccc1 ZINC001550354994 1188610334 /nfs/dbraw/zinc/61/03/34/1188610334.db2.gz WWPAYUAGFXZISX-WPVAHCMFSA-N 2 1 316.489 3.207 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCCC(C)(C)CC2)C1 ZINC001550520977 1188618455 /nfs/dbraw/zinc/61/84/55/1188618455.db2.gz PVSCPYUUBZGSJL-MDZRGWNJSA-N 2 1 319.493 3.367 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001550540955 1188622070 /nfs/dbraw/zinc/62/20/70/1188622070.db2.gz OKLCNAXDGPEAQX-UONOGXRCSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001550540955 1188622072 /nfs/dbraw/zinc/62/20/72/1188622072.db2.gz OKLCNAXDGPEAQX-UONOGXRCSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550540955 1188622074 /nfs/dbraw/zinc/62/20/74/1188622074.db2.gz OKLCNAXDGPEAQX-UONOGXRCSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550540955 1188622076 /nfs/dbraw/zinc/62/20/76/1188622076.db2.gz OKLCNAXDGPEAQX-UONOGXRCSA-N 2 1 317.458 3.095 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001550544635 1188623484 /nfs/dbraw/zinc/62/34/84/1188623484.db2.gz IUIMJPSSGHXHDY-NCOADZHNSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001550544635 1188623485 /nfs/dbraw/zinc/62/34/85/1188623485.db2.gz IUIMJPSSGHXHDY-NCOADZHNSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001550544635 1188623486 /nfs/dbraw/zinc/62/34/86/1188623486.db2.gz IUIMJPSSGHXHDY-NCOADZHNSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001550544635 1188623487 /nfs/dbraw/zinc/62/34/87/1188623487.db2.gz IUIMJPSSGHXHDY-NCOADZHNSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001550544635 1188623488 /nfs/dbraw/zinc/62/34/88/1188623488.db2.gz IUIMJPSSGHXHDY-NCOADZHNSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@H]32)CC1 ZINC001550642412 1188636432 /nfs/dbraw/zinc/63/64/32/1188636432.db2.gz PUMGSKJNBVBYMA-HSALFYBXSA-N 2 1 314.473 3.323 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@@H]32)CCC[NH2+]C1 ZINC001550705420 1188643621 /nfs/dbraw/zinc/64/36/21/1188643621.db2.gz WOSOGMZYFDPFDH-HAGHYFMRSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@H]32)CCC[NH2+]C1 ZINC001550705418 1188643645 /nfs/dbraw/zinc/64/36/45/1188643645.db2.gz WOSOGMZYFDPFDH-FYQPLNBISA-N 2 1 314.473 3.371 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)C1 ZINC001550953080 1188674933 /nfs/dbraw/zinc/67/49/33/1188674933.db2.gz VNQBGKYOJHGTTF-OWCLPIDISA-N 2 1 303.450 3.138 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c(F)c1 ZINC001551377774 1188732206 /nfs/dbraw/zinc/73/22/06/1188732206.db2.gz JQYXZDDNRWESPJ-MKTAYPAQSA-N 2 1 306.400 3.475 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@H]2COCC[C@H]21 ZINC001551391837 1188735204 /nfs/dbraw/zinc/73/52/04/1188735204.db2.gz RXYILGLKXUDIFY-VQTJNVASSA-N 2 1 314.473 3.283 20 0 DGADMP CCO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080816 1188816720 /nfs/dbraw/zinc/81/67/20/1188816720.db2.gz IZNVKTVAGYIZKV-INDMIFKZSA-N 2 1 302.462 3.417 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC001553021874 1188890069 /nfs/dbraw/zinc/89/00/69/1188890069.db2.gz AFHUEJZQMNAOSH-GBESFXJTSA-N 2 1 315.505 3.005 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC001553021874 1188890072 /nfs/dbraw/zinc/89/00/72/1188890072.db2.gz AFHUEJZQMNAOSH-GBESFXJTSA-N 3 1 315.505 3.005 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC001553021874 1188890078 /nfs/dbraw/zinc/89/00/78/1188890078.db2.gz AFHUEJZQMNAOSH-GBESFXJTSA-N 3 1 315.505 3.005 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1[C@H]3CCC[NH2+][C@H]3C1(C)C)CCC2 ZINC001553023850 1188890749 /nfs/dbraw/zinc/89/07/49/1188890749.db2.gz KKRCHLSFIUOHCF-KSZJFAHPSA-N 2 1 305.491 3.195 20 0 DGADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+](CC)CC ZINC001557982940 1189096002 /nfs/dbraw/zinc/09/60/02/1189096002.db2.gz WWIMCNMJIVVGPX-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001559662177 1189228393 /nfs/dbraw/zinc/22/83/93/1189228393.db2.gz SBDRGXKSYXSPDD-KRWDZBQOSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001559662177 1189228396 /nfs/dbraw/zinc/22/83/96/1189228396.db2.gz SBDRGXKSYXSPDD-KRWDZBQOSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001559662177 1189228401 /nfs/dbraw/zinc/22/84/01/1189228401.db2.gz SBDRGXKSYXSPDD-KRWDZBQOSA-N 2 1 305.466 3.253 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1COc2ccccc2O1 ZINC001560100166 1189278550 /nfs/dbraw/zinc/27/85/50/1189278550.db2.gz GEZQNQFHJKOPPT-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP CCOc1ccc(CC[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001560210289 1189291286 /nfs/dbraw/zinc/29/12/86/1189291286.db2.gz ROUXIFWRVAYJIN-UHFFFAOYSA-N 2 1 304.478 3.436 20 0 DGADMP CC[N@H+]1CC[C@@H](CNCc2cc(C)c(C)cc2OC(F)F)C1 ZINC001560273176 1189303097 /nfs/dbraw/zinc/30/30/97/1189303097.db2.gz DIOJHYCRCYNPBX-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC001560273176 1189303104 /nfs/dbraw/zinc/30/31/04/1189303104.db2.gz DIOJHYCRCYNPBX-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC001560273176 1189303108 /nfs/dbraw/zinc/30/31/08/1189303108.db2.gz DIOJHYCRCYNPBX-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNCc2sccc2Br)C1 ZINC001560297745 1189307569 /nfs/dbraw/zinc/30/75/69/1189307569.db2.gz NWXAEOWSMANLAM-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC001560319926 1189310823 /nfs/dbraw/zinc/31/08/23/1189310823.db2.gz FKTDPLSTQXOQAO-UHFFFAOYSA-N 2 1 323.569 3.455 20 0 DGADMP Cc1cc(N2CCC([NH2+]Cc3cccc(C)c3C)CC2)nc(C)[nH+]1 ZINC001560358213 1189317042 /nfs/dbraw/zinc/31/70/42/1189317042.db2.gz IXXSJRLUGASIJF-UHFFFAOYSA-N 2 1 324.472 3.469 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001560406850 1189324363 /nfs/dbraw/zinc/32/43/63/1189324363.db2.gz UDFKESVNWZXBMQ-KRWDZBQOSA-N 2 1 315.505 3.418 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001560406850 1189324367 /nfs/dbraw/zinc/32/43/67/1189324367.db2.gz UDFKESVNWZXBMQ-KRWDZBQOSA-N 2 1 315.505 3.418 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC001560433763 1189328887 /nfs/dbraw/zinc/32/88/87/1189328887.db2.gz XFOYXMYFMZURJU-JZXOWHBKSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC001560433763 1189328890 /nfs/dbraw/zinc/32/88/90/1189328890.db2.gz XFOYXMYFMZURJU-JZXOWHBKSA-N 2 1 300.446 3.289 20 0 DGADMP Cn1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2ccccc21 ZINC001560633926 1189352714 /nfs/dbraw/zinc/35/27/14/1189352714.db2.gz JCZLWBFYFIIPMU-KRWDZBQOSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2ccccc21 ZINC001560633926 1189352718 /nfs/dbraw/zinc/35/27/18/1189352718.db2.gz JCZLWBFYFIIPMU-KRWDZBQOSA-N 2 1 311.473 3.486 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](CC)C1CC1 ZINC001560891191 1189400892 /nfs/dbraw/zinc/40/08/92/1189400892.db2.gz BPFBDZJLBIFNNQ-VAMGGRTRSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](CC)C1CC1 ZINC001560891191 1189400894 /nfs/dbraw/zinc/40/08/94/1189400894.db2.gz BPFBDZJLBIFNNQ-VAMGGRTRSA-N 2 1 316.489 3.302 20 0 DGADMP C([N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1([C@H]2CCCCO2)CCC1 ZINC001574794220 1191452719 /nfs/dbraw/zinc/45/27/19/1191452719.db2.gz BMGBXWFQDIFFDK-KZNAEPCWSA-N 2 1 306.494 3.047 20 0 DGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001575423470 1191481426 /nfs/dbraw/zinc/48/14/26/1191481426.db2.gz UVMAQPMQUNOSMJ-CABCVRRESA-N 2 1 321.534 3.432 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC001575453549 1191483273 /nfs/dbraw/zinc/48/32/73/1191483273.db2.gz RKMNODCGSZRUJX-WOJBJXKFSA-N 2 1 314.473 3.048 20 0 DGADMP CC(C)C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC001575544165 1191491344 /nfs/dbraw/zinc/49/13/44/1191491344.db2.gz GFTOPGBBABQNBZ-HRCADAONSA-N 2 1 312.498 3.111 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OCc1ccccc1 ZINC001575962681 1191518957 /nfs/dbraw/zinc/51/89/57/1191518957.db2.gz VRSGXZDTCAUJOQ-MJGOQNOKSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H](CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)OCc1ccccc1 ZINC001575962721 1191519536 /nfs/dbraw/zinc/51/95/36/1191519536.db2.gz WGXNZHFUGGKHCV-WDSOQIARSA-N 2 1 302.462 3.043 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC1(C)C ZINC001618654868 1193746593 /nfs/dbraw/zinc/74/65/93/1193746593.db2.gz VTQLBENFRXLZCA-MOPGFXCFSA-N 2 1 316.489 3.433 20 0 DGADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](O)(CN(C)C)C2)cc1 ZINC001618932713 1193754403 /nfs/dbraw/zinc/75/44/03/1193754403.db2.gz YDRRIRWWWAOUQE-HXUWFJFHSA-N 2 1 318.505 3.263 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@](O)(CN(C)C)C2)cc1 ZINC001618932713 1193754404 /nfs/dbraw/zinc/75/44/04/1193754404.db2.gz YDRRIRWWWAOUQE-HXUWFJFHSA-N 2 1 318.505 3.263 20 0 DGADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618932713 1193754407 /nfs/dbraw/zinc/75/44/07/1193754407.db2.gz YDRRIRWWWAOUQE-HXUWFJFHSA-N 2 1 318.505 3.263 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618932713 1193754409 /nfs/dbraw/zinc/75/44/09/1193754409.db2.gz YDRRIRWWWAOUQE-HXUWFJFHSA-N 2 1 318.505 3.263 20 0 DGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@@](O)(CN(C)C)C2)cc1 ZINC001618930700 1193754488 /nfs/dbraw/zinc/75/44/88/1193754488.db2.gz AYYFSNCNHHSNCN-VQIMIIECSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@@H](C)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618930700 1193754491 /nfs/dbraw/zinc/75/44/91/1193754491.db2.gz AYYFSNCNHHSNCN-VQIMIIECSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618930700 1193754493 /nfs/dbraw/zinc/75/44/93/1193754493.db2.gz AYYFSNCNHHSNCN-VQIMIIECSA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001618930700 1193754494 /nfs/dbraw/zinc/75/44/94/1193754494.db2.gz AYYFSNCNHHSNCN-VQIMIIECSA-N 2 1 304.478 3.260 20 0 DGADMP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000017744590 1193762518 /nfs/dbraw/zinc/76/25/18/1193762518.db2.gz KLYYZGQXIXLWAB-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP Cc1ccc(C[C@]2(C)CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC001620467395 1193770689 /nfs/dbraw/zinc/77/06/89/1193770689.db2.gz WMKUMEKHNIPMKX-PMACEKPBSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@]2(C)CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467395 1193770693 /nfs/dbraw/zinc/77/06/93/1193770693.db2.gz WMKUMEKHNIPMKX-PMACEKPBSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@]2(C)CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467395 1193770701 /nfs/dbraw/zinc/77/07/01/1193770701.db2.gz WMKUMEKHNIPMKX-PMACEKPBSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001620718835 1193794655 /nfs/dbraw/zinc/79/46/55/1193794655.db2.gz UNLMQZIPVBLTBG-FXAWDEMLSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001620718835 1193794658 /nfs/dbraw/zinc/79/46/58/1193794658.db2.gz UNLMQZIPVBLTBG-FXAWDEMLSA-N 2 1 316.489 3.230 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001621108790 1193803651 /nfs/dbraw/zinc/80/36/51/1193803651.db2.gz YSFYGSIGGJZNOO-AEGPPILISA-N 2 1 310.388 3.026 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001621108790 1193803654 /nfs/dbraw/zinc/80/36/54/1193803654.db2.gz YSFYGSIGGJZNOO-AEGPPILISA-N 2 1 310.388 3.026 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(F)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001621108146 1193803989 /nfs/dbraw/zinc/80/39/89/1193803989.db2.gz IOXNEEOBVGJRHF-NILFDRSVSA-N 2 1 316.342 3.274 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001621372974 1193834694 /nfs/dbraw/zinc/83/46/94/1193834694.db2.gz KTKMZIPNVGFHER-HNNXBMFYSA-N 2 1 318.461 3.157 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001621372974 1193834696 /nfs/dbraw/zinc/83/46/96/1193834696.db2.gz KTKMZIPNVGFHER-HNNXBMFYSA-N 2 1 318.461 3.157 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1F ZINC001621457577 1193845391 /nfs/dbraw/zinc/84/53/91/1193845391.db2.gz IDAMCROHTSVZQI-WMLDXEAASA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1F ZINC001621457577 1193845393 /nfs/dbraw/zinc/84/53/93/1193845393.db2.gz IDAMCROHTSVZQI-WMLDXEAASA-N 2 1 308.441 3.387 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000031995243 1193893744 /nfs/dbraw/zinc/89/37/44/1193893744.db2.gz YXWAJMGUQKUHQW-IBGZPJMESA-N 2 1 302.462 3.093 20 0 DGADMP CCc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc(CC)n1 ZINC001640185699 1194800147 /nfs/dbraw/zinc/80/01/47/1194800147.db2.gz LOIBWDPKQLCDJD-QGZVFWFLSA-N 2 1 310.445 3.288 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001642890275 1194951725 /nfs/dbraw/zinc/95/17/25/1194951725.db2.gz OLYOJNCMKYTYTK-IRXDYDNUSA-N 2 1 308.416 3.453 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001642890275 1194951732 /nfs/dbraw/zinc/95/17/32/1194951732.db2.gz OLYOJNCMKYTYTK-IRXDYDNUSA-N 2 1 308.416 3.453 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C1(CO)CCCC1 ZINC001643216334 1195005965 /nfs/dbraw/zinc/00/59/65/1195005965.db2.gz SUQBNMGYWNEBFI-IBGZPJMESA-N 2 1 316.489 3.278 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001643216334 1195005969 /nfs/dbraw/zinc/00/59/69/1195005969.db2.gz SUQBNMGYWNEBFI-IBGZPJMESA-N 2 1 316.489 3.278 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001643216334 1195005973 /nfs/dbraw/zinc/00/59/73/1195005973.db2.gz SUQBNMGYWNEBFI-IBGZPJMESA-N 2 1 316.489 3.278 20 0 DGADMP CC[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644595003 1195120146 /nfs/dbraw/zinc/12/01/46/1195120146.db2.gz NUVYABKUASPLBD-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644595003 1195120148 /nfs/dbraw/zinc/12/01/48/1195120148.db2.gz NUVYABKUASPLBD-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001644595003 1195120150 /nfs/dbraw/zinc/12/01/50/1195120150.db2.gz NUVYABKUASPLBD-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001644595003 1195120152 /nfs/dbraw/zinc/12/01/52/1195120152.db2.gz NUVYABKUASPLBD-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CO2)CCCCC3)[C@@H](C)C1 ZINC001644793998 1195135277 /nfs/dbraw/zinc/13/52/77/1195135277.db2.gz AKXSLGFYEGYXTP-BZSNNMDCSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC3(CO2)CCCCC3)[C@@H](C)C1 ZINC001644793998 1195135280 /nfs/dbraw/zinc/13/52/80/1195135280.db2.gz AKXSLGFYEGYXTP-BZSNNMDCSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC3(CO2)CCCCC3)[C@@H](C)C1 ZINC001644793998 1195135284 /nfs/dbraw/zinc/13/52/84/1195135284.db2.gz AKXSLGFYEGYXTP-BZSNNMDCSA-N 2 1 308.510 3.388 20 0 DGADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001644988874 1195148234 /nfs/dbraw/zinc/14/82/34/1195148234.db2.gz FRFSULPSLNSHHB-QGZVFWFLSA-N 2 1 324.509 3.306 20 0 DGADMP CCc1ccccc1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001647977795 1195269356 /nfs/dbraw/zinc/26/93/56/1195269356.db2.gz LPZDFRDNYTXHKP-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP CC[C@H](C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC001648035528 1195272492 /nfs/dbraw/zinc/27/24/92/1195272492.db2.gz LJZTXUJKTTZTKA-VAMGGRTRSA-N 2 1 316.489 3.255 20 0 DGADMP CN(C[C@H]1CCC[N@H+]1C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001648117078 1195277777 /nfs/dbraw/zinc/27/77/77/1195277777.db2.gz KUXCIBYZIXVYCM-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C[C@H]1CCC[NH+]1C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001648117078 1195277780 /nfs/dbraw/zinc/27/77/80/1195277780.db2.gz KUXCIBYZIXVYCM-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C[C@H]1CCC[NH+]1C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001648117078 1195277783 /nfs/dbraw/zinc/27/77/83/1195277783.db2.gz KUXCIBYZIXVYCM-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001648478383 1195303841 /nfs/dbraw/zinc/30/38/41/1195303841.db2.gz DBLCKQRTVVTNQZ-MJGOQNOKSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001648478383 1195303845 /nfs/dbraw/zinc/30/38/45/1195303845.db2.gz DBLCKQRTVVTNQZ-MJGOQNOKSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)COc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001648478383 1195303847 /nfs/dbraw/zinc/30/38/47/1195303847.db2.gz DBLCKQRTVVTNQZ-MJGOQNOKSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)COc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001648478383 1195303852 /nfs/dbraw/zinc/30/38/52/1195303852.db2.gz DBLCKQRTVVTNQZ-MJGOQNOKSA-N 2 1 302.462 3.105 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@@H]1c1cccs1 ZINC001650376607 1195361403 /nfs/dbraw/zinc/36/14/03/1195361403.db2.gz PWZKAXFXNFWMOT-ZMSDIMECSA-N 2 1 308.491 3.147 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@@H]1c1cccs1 ZINC001650376607 1195361405 /nfs/dbraw/zinc/36/14/05/1195361405.db2.gz PWZKAXFXNFWMOT-ZMSDIMECSA-N 2 1 308.491 3.147 20 0 DGADMP CC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccccc1C ZINC001650622028 1195366181 /nfs/dbraw/zinc/36/61/81/1195366181.db2.gz WUMKLRSIBNVLPM-QGZVFWFLSA-N 2 1 313.445 3.403 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001651205527 1195426768 /nfs/dbraw/zinc/42/67/68/1195426768.db2.gz UTMSXFFNBWOAJM-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001651205527 1195426771 /nfs/dbraw/zinc/42/67/71/1195426771.db2.gz UTMSXFFNBWOAJM-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c2ccccc12 ZINC001651697868 1195497541 /nfs/dbraw/zinc/49/75/41/1195497541.db2.gz KMNRQPOMAJQVOA-AYOQOUSVSA-N 2 1 310.441 3.278 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001651799743 1195511301 /nfs/dbraw/zinc/51/13/01/1195511301.db2.gz DGRXICRFBGBNBC-GOSISDBHSA-N 2 1 301.478 3.059 20 0 DGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2cccc(F)c2s1 ZINC001652034949 1195539241 /nfs/dbraw/zinc/53/92/41/1195539241.db2.gz UGGBGGPSEUGVBK-LBPRGKRZSA-N 2 1 324.469 3.119 20 0 DGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2cccc(F)c2s1 ZINC001652034949 1195539246 /nfs/dbraw/zinc/53/92/46/1195539246.db2.gz UGGBGGPSEUGVBK-LBPRGKRZSA-N 2 1 324.469 3.119 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652361988 1195588698 /nfs/dbraw/zinc/58/86/98/1195588698.db2.gz UBSLBTWZTWDFMS-QWFCFKBJSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652361988 1195588702 /nfs/dbraw/zinc/58/87/02/1195588702.db2.gz UBSLBTWZTWDFMS-QWFCFKBJSA-N 2 1 317.521 3.217 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000067121819 1195595090 /nfs/dbraw/zinc/59/50/90/1195595090.db2.gz CSUAIPITWNQVOD-GFCCVEGCSA-N 2 1 318.795 3.373 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001652468523 1195603000 /nfs/dbraw/zinc/60/30/00/1195603000.db2.gz KIQKGKHXQLZFPY-BWPNAZKDSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001652468523 1195603003 /nfs/dbraw/zinc/60/30/03/1195603003.db2.gz KIQKGKHXQLZFPY-BWPNAZKDSA-N 2 1 314.473 3.105 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC001652512823 1195610069 /nfs/dbraw/zinc/61/00/69/1195610069.db2.gz MABOMTBGIXJKIZ-KKUMJFAQSA-N 2 1 317.315 3.260 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683468 1195636571 /nfs/dbraw/zinc/63/65/71/1195636571.db2.gz XQJXMRJGMIUMOK-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683468 1195636574 /nfs/dbraw/zinc/63/65/74/1195636574.db2.gz XQJXMRJGMIUMOK-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683468 1195636577 /nfs/dbraw/zinc/63/65/77/1195636577.db2.gz XQJXMRJGMIUMOK-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC4CC4)CC[C@@H]32)cc1 ZINC001652683468 1195636586 /nfs/dbraw/zinc/63/65/86/1195636586.db2.gz XQJXMRJGMIUMOK-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC001653256078 1195703964 /nfs/dbraw/zinc/70/39/64/1195703964.db2.gz VEYDOYGPVATMNY-OALUTQOASA-N 2 1 310.526 3.349 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001653265824 1195704885 /nfs/dbraw/zinc/70/48/85/1195704885.db2.gz GBASWQBTYSGKBE-QGZVFWFLSA-N 2 1 304.478 3.097 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCC12CCOCC2 ZINC001653465307 1195726024 /nfs/dbraw/zinc/72/60/24/1195726024.db2.gz COJQYYVIFGSBQA-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001654099996 1195774637 /nfs/dbraw/zinc/77/46/37/1195774637.db2.gz VEJKBKHYWWPBNC-NVXWUHKLSA-N 2 1 302.462 3.438 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCc2cscn2)CC1 ZINC001654512107 1195811010 /nfs/dbraw/zinc/81/10/10/1195811010.db2.gz HZKQJXPCPMPZCJ-QGZVFWFLSA-N 2 1 307.507 3.272 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCc2cscn2)CC1 ZINC001654512107 1195811013 /nfs/dbraw/zinc/81/10/13/1195811013.db2.gz HZKQJXPCPMPZCJ-QGZVFWFLSA-N 2 1 307.507 3.272 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCCOC(F)(F)F)CC1 ZINC001654511899 1195811289 /nfs/dbraw/zinc/81/12/89/1195811289.db2.gz CEDPZTBYOWGBFM-OAHLLOKOSA-N 2 1 322.415 3.499 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCCOC(F)(F)F)CC1 ZINC001654511899 1195811293 /nfs/dbraw/zinc/81/12/93/1195811293.db2.gz CEDPZTBYOWGBFM-OAHLLOKOSA-N 2 1 322.415 3.499 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1([C@@H]3CCCCO3)CCC1)C2 ZINC001654511660 1195811784 /nfs/dbraw/zinc/81/17/84/1195811784.db2.gz WORUWWLQPWSKIM-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1([C@@H]3CCCCO3)CCC1)C2 ZINC001654511660 1195811788 /nfs/dbraw/zinc/81/17/88/1195811788.db2.gz WORUWWLQPWSKIM-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1([C@@H]3CCCCO3)CCC1)C2 ZINC001654511660 1195811791 /nfs/dbraw/zinc/81/17/91/1195811791.db2.gz WORUWWLQPWSKIM-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001654644493 1195826330 /nfs/dbraw/zinc/82/63/30/1195826330.db2.gz DQCIYVOKHSHOOZ-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP CO[C@@H](C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)C1CCCCC1 ZINC001655144702 1195882340 /nfs/dbraw/zinc/88/23/40/1195882340.db2.gz CFVUCDLQLMXNNC-SLFFLAALSA-N 2 1 320.521 3.390 20 0 DGADMP CO[C@@H](C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3)C1CCCCC1 ZINC001655144702 1195882342 /nfs/dbraw/zinc/88/23/42/1195882342.db2.gz CFVUCDLQLMXNNC-SLFFLAALSA-N 2 1 320.521 3.390 20 0 DGADMP CO[C@@H](C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3)C1CCCCC1 ZINC001655144702 1195882346 /nfs/dbraw/zinc/88/23/46/1195882346.db2.gz CFVUCDLQLMXNNC-SLFFLAALSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CCCC1 ZINC001655209002 1195891200 /nfs/dbraw/zinc/89/12/00/1195891200.db2.gz CKZGZSRADINONV-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CC2(CO1)CCC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC001655309619 1195902382 /nfs/dbraw/zinc/90/23/82/1195902382.db2.gz GSPKXWVXSRMDAV-DHADLLTHSA-N 2 1 306.494 3.331 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)C2 ZINC001655517590 1195927024 /nfs/dbraw/zinc/92/70/24/1195927024.db2.gz ZKNILNRJNHBCAS-QXAKKESOSA-N 2 1 316.489 3.405 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC(C)(C)C1 ZINC001655555637 1195930810 /nfs/dbraw/zinc/93/08/10/1195930810.db2.gz MRYHWFYZSSQLKS-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655566205 1195933101 /nfs/dbraw/zinc/93/31/01/1195933101.db2.gz RKKUVHGZRYRBHZ-CQSZACIVSA-N 2 1 322.880 3.485 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655566205 1195933104 /nfs/dbraw/zinc/93/31/04/1195933104.db2.gz RKKUVHGZRYRBHZ-CQSZACIVSA-N 2 1 322.880 3.485 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccc2ccccc21 ZINC001655616964 1195941375 /nfs/dbraw/zinc/94/13/75/1195941375.db2.gz NJRASGZIPMZGFJ-LPHOPBHVSA-N 2 1 300.446 3.193 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC001655725385 1195956229 /nfs/dbraw/zinc/95/62/29/1195956229.db2.gz WBTGVXUMJDOLBG-KBPBESRZSA-N 2 1 324.852 3.074 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC001655725227 1195956255 /nfs/dbraw/zinc/95/62/55/1195956255.db2.gz RWNNQHJDCXQSOD-AEFFLSMTSA-N 2 1 312.461 3.143 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1csc(C(C)(C)C)n1 ZINC001656027822 1195989416 /nfs/dbraw/zinc/98/94/16/1195989416.db2.gz GUNMBMKKXXRQNU-UHFFFAOYSA-N 2 1 318.490 3.234 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC001656395664 1196035976 /nfs/dbraw/zinc/03/59/76/1196035976.db2.gz VHKMLIASSIGRER-FCGDIQPGSA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC001656395664 1196035977 /nfs/dbraw/zinc/03/59/77/1196035977.db2.gz VHKMLIASSIGRER-FCGDIQPGSA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC001656395667 1196036102 /nfs/dbraw/zinc/03/61/02/1196036102.db2.gz VHKMLIASSIGRER-WJFTUGDTSA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC001656395667 1196036105 /nfs/dbraw/zinc/03/61/05/1196036105.db2.gz VHKMLIASSIGRER-WJFTUGDTSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001656395702 1196036465 /nfs/dbraw/zinc/03/64/65/1196036465.db2.gz XARBUUQJUXTYIX-KRWDZBQOSA-N 2 1 320.525 3.465 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001656395702 1196036467 /nfs/dbraw/zinc/03/64/67/1196036467.db2.gz XARBUUQJUXTYIX-KRWDZBQOSA-N 2 1 320.525 3.465 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCOCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001656574970 1196051268 /nfs/dbraw/zinc/05/12/68/1196051268.db2.gz YKEQCANKBVYMQE-BGYRXZFFSA-N 2 1 314.473 3.011 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCOCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001656574970 1196051270 /nfs/dbraw/zinc/05/12/70/1196051270.db2.gz YKEQCANKBVYMQE-BGYRXZFFSA-N 2 1 314.473 3.011 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCOCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001656574970 1196051272 /nfs/dbraw/zinc/05/12/72/1196051272.db2.gz YKEQCANKBVYMQE-BGYRXZFFSA-N 2 1 314.473 3.011 20 0 DGADMP Fc1ccccc1-c1n[nH]cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001656669029 1196059982 /nfs/dbraw/zinc/05/99/82/1196059982.db2.gz JLQUYPLWEIMLGU-UHFFFAOYSA-N 2 1 316.424 3.181 20 0 DGADMP CN(C)c1ccccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001656680944 1196060770 /nfs/dbraw/zinc/06/07/70/1196060770.db2.gz PGHXGCJWYZQNIW-UHFFFAOYSA-N 2 1 301.478 3.249 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccc2O1 ZINC001656718295 1196065115 /nfs/dbraw/zinc/06/51/15/1196065115.db2.gz QJMSASGAXGAWOM-CRAIPNDOSA-N 2 1 314.473 3.222 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(N(C)C)n2)CC1 ZINC001657011306 1196093367 /nfs/dbraw/zinc/09/33/67/1196093367.db2.gz HZZYTJYZBRPRHM-UHFFFAOYSA-N 2 1 318.509 3.092 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001657057188 1196098182 /nfs/dbraw/zinc/09/81/82/1196098182.db2.gz ROTAYUXXOZBOLN-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001657057188 1196098187 /nfs/dbraw/zinc/09/81/87/1196098187.db2.gz ROTAYUXXOZBOLN-NVXWUHKLSA-N 2 1 304.478 3.263 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000072727515 1196112406 /nfs/dbraw/zinc/11/24/06/1196112406.db2.gz SETLPYFUSTVRKP-LPHOPBHVSA-N 2 1 302.462 3.187 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218822 1196119503 /nfs/dbraw/zinc/11/95/03/1196119503.db2.gz CWLPLSPKIGPBBU-PBHICJAKSA-N 2 1 307.457 3.054 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218822 1196119507 /nfs/dbraw/zinc/11/95/07/1196119507.db2.gz CWLPLSPKIGPBBU-PBHICJAKSA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218822 1196119509 /nfs/dbraw/zinc/11/95/09/1196119509.db2.gz CWLPLSPKIGPBBU-PBHICJAKSA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)[C@H](C)C1 ZINC001657218822 1196119510 /nfs/dbraw/zinc/11/95/10/1196119510.db2.gz CWLPLSPKIGPBBU-PBHICJAKSA-N 2 1 307.457 3.054 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(CC)CC ZINC001657322300 1196130576 /nfs/dbraw/zinc/13/05/76/1196130576.db2.gz FXNMULKDMXREQI-IAGOWNOFSA-N 2 1 305.466 3.221 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001657628058 1196161681 /nfs/dbraw/zinc/16/16/81/1196161681.db2.gz OTAQRJOIPMWPBH-UYAOXDASSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001657628058 1196161685 /nfs/dbraw/zinc/16/16/85/1196161685.db2.gz OTAQRJOIPMWPBH-UYAOXDASSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001657628058 1196161693 /nfs/dbraw/zinc/16/16/93/1196161693.db2.gz OTAQRJOIPMWPBH-UYAOXDASSA-N 2 1 317.521 3.389 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001658111011 1196212884 /nfs/dbraw/zinc/21/28/84/1196212884.db2.gz FMJLAUUKHIFBJY-JKSUJKDBSA-N 2 1 305.466 3.219 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC001658229821 1196228901 /nfs/dbraw/zinc/22/89/01/1196228901.db2.gz QNCXFUYCZHDEDE-UHFFFAOYSA-N 2 1 314.477 3.453 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC001658229821 1196228904 /nfs/dbraw/zinc/22/89/04/1196228904.db2.gz QNCXFUYCZHDEDE-UHFFFAOYSA-N 2 1 314.477 3.453 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@@H](C)O3)[C@@H](C)C1 ZINC001658255805 1196230975 /nfs/dbraw/zinc/23/09/75/1196230975.db2.gz RRPYQHUZQFWEIZ-DAYGRLMNSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)[C@@H](C)C1 ZINC001658255805 1196230979 /nfs/dbraw/zinc/23/09/79/1196230979.db2.gz RRPYQHUZQFWEIZ-DAYGRLMNSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)[C@@H](C)C1 ZINC001658255805 1196230982 /nfs/dbraw/zinc/23/09/82/1196230982.db2.gz RRPYQHUZQFWEIZ-DAYGRLMNSA-N 2 1 302.462 3.172 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)o1 ZINC001658274546 1196234310 /nfs/dbraw/zinc/23/43/10/1196234310.db2.gz KXIUFVONRRGTGN-HNNXBMFYSA-N 2 1 315.417 3.458 20 0 DGADMP CC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC001658341313 1196243983 /nfs/dbraw/zinc/24/39/83/1196243983.db2.gz PODMMLCDXVMCSJ-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC001658341313 1196243993 /nfs/dbraw/zinc/24/39/93/1196243993.db2.gz PODMMLCDXVMCSJ-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001658558041 1196273864 /nfs/dbraw/zinc/27/38/64/1196273864.db2.gz VKLXOUWKTAVXSV-QZTJIDSGSA-N 2 1 321.509 3.011 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC001658576968 1196276020 /nfs/dbraw/zinc/27/60/20/1196276020.db2.gz BZNNKOQWGWCHOE-MANSERQUSA-N 2 1 316.514 3.382 20 0 DGADMP CCCN(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001658593855 1196277351 /nfs/dbraw/zinc/27/73/51/1196277351.db2.gz RYFBFAQJSCIYKL-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC4(COC(C)(C)C4)CC3)[C@@H]2C1 ZINC001658778273 1196299621 /nfs/dbraw/zinc/29/96/21/1196299621.db2.gz VDEMYYDBVIRXLO-FJZSXJSDSA-N 2 1 306.494 3.044 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC4(COC(C)(C)C4)CC3)[C@@H]2C1 ZINC001658778272 1196300008 /nfs/dbraw/zinc/30/00/08/1196300008.db2.gz VDEMYYDBVIRXLO-BVOGREQHSA-N 2 1 306.494 3.044 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3N3CCCCC3)[C@@H]2C1 ZINC001658777936 1196300204 /nfs/dbraw/zinc/30/02/04/1196300204.db2.gz MNIXVIKOFPBHLK-OTWHNJEPSA-N 2 1 313.489 3.107 20 0 DGADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001658840087 1196308125 /nfs/dbraw/zinc/30/81/25/1196308125.db2.gz NGCUXNICOABNDO-HNAYVOBHSA-N 2 1 302.462 3.420 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001659035630 1196335995 /nfs/dbraw/zinc/33/59/95/1196335995.db2.gz WFVHDLNILZLCJG-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCCN3C)CC2)C1 ZINC001659035630 1196335999 /nfs/dbraw/zinc/33/59/99/1196335999.db2.gz WFVHDLNILZLCJG-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001659292357 1196368558 /nfs/dbraw/zinc/36/85/58/1196368558.db2.gz FKVCKYDQFGHISL-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@H]1C1CCC1 ZINC001659292357 1196368562 /nfs/dbraw/zinc/36/85/62/1196368562.db2.gz FKVCKYDQFGHISL-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@H]1C1CCC1 ZINC001659292357 1196368567 /nfs/dbraw/zinc/36/85/67/1196368567.db2.gz FKVCKYDQFGHISL-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC001659292357 1196368571 /nfs/dbraw/zinc/36/85/71/1196368571.db2.gz FKVCKYDQFGHISL-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001659292357 1196368574 /nfs/dbraw/zinc/36/85/74/1196368574.db2.gz FKVCKYDQFGHISL-UXHICEINSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421363 1196382202 /nfs/dbraw/zinc/38/22/02/1196382202.db2.gz VYAGNLADHCAHNJ-DLBZAZTESA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC001659421363 1196382204 /nfs/dbraw/zinc/38/22/04/1196382204.db2.gz VYAGNLADHCAHNJ-DLBZAZTESA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421363 1196382209 /nfs/dbraw/zinc/38/22/09/1196382209.db2.gz VYAGNLADHCAHNJ-DLBZAZTESA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001659674366 1196404589 /nfs/dbraw/zinc/40/45/89/1196404589.db2.gz LNKFIPCEZXDISU-FQEVSTJZSA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001659689999 1196406183 /nfs/dbraw/zinc/40/61/83/1196406183.db2.gz MRFHSJDLVARCMA-LJQANCHMSA-N 2 1 321.553 3.494 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC001659883039 1196425415 /nfs/dbraw/zinc/42/54/15/1196425415.db2.gz ZVLCJEYAPHBQLD-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC001659883039 1196425417 /nfs/dbraw/zinc/42/54/17/1196425417.db2.gz ZVLCJEYAPHBQLD-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC001659883039 1196425418 /nfs/dbraw/zinc/42/54/18/1196425418.db2.gz ZVLCJEYAPHBQLD-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001659883039 1196425419 /nfs/dbraw/zinc/42/54/19/1196425419.db2.gz ZVLCJEYAPHBQLD-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001659917777 1196428827 /nfs/dbraw/zinc/42/88/27/1196428827.db2.gz GIVJYWRYCBPEEA-INIZCTEOSA-N 2 1 311.429 3.109 20 0 DGADMP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001659939072 1196430891 /nfs/dbraw/zinc/43/08/91/1196430891.db2.gz ORJPEOKJDALSSH-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001659939072 1196430893 /nfs/dbraw/zinc/43/08/93/1196430893.db2.gz ORJPEOKJDALSSH-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@@H]1CC ZINC001660053296 1196441250 /nfs/dbraw/zinc/44/12/50/1196441250.db2.gz FKVITMGIBVJKOS-ZGXWSNOMSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@@H]1CC ZINC001660053296 1196441251 /nfs/dbraw/zinc/44/12/51/1196441251.db2.gz FKVITMGIBVJKOS-ZGXWSNOMSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001660183859 1196455147 /nfs/dbraw/zinc/45/51/47/1196455147.db2.gz FJZYCUKPEKGTOY-UHFFFAOYSA-N 2 1 304.478 3.122 20 0 DGADMP c1ccc(C[NH+]2CCC[N@@H+](CCC3CC3)CCOCC2)cc1 ZINC001660343381 1196473556 /nfs/dbraw/zinc/47/35/56/1196473556.db2.gz UHXOXIVWMRZDDR-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[N@H+](CCC3CC3)CCOCC2)cc1 ZINC001660343381 1196473558 /nfs/dbraw/zinc/47/35/58/1196473558.db2.gz UHXOXIVWMRZDDR-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(C[N@H+]2CCC[NH+](CCC3CC3)CCOCC2)cc1 ZINC001660343381 1196473559 /nfs/dbraw/zinc/47/35/59/1196473559.db2.gz UHXOXIVWMRZDDR-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[NH+](CCC3CC3)CCOCC2)cc1 ZINC001660343381 1196473561 /nfs/dbraw/zinc/47/35/61/1196473561.db2.gz UHXOXIVWMRZDDR-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP COc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443436 1196480862 /nfs/dbraw/zinc/48/08/62/1196480862.db2.gz SHQGJFYMOYOMEI-IBGZPJMESA-N 2 1 324.468 3.349 20 0 DGADMP COc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000076443436 1196480864 /nfs/dbraw/zinc/48/08/64/1196480864.db2.gz SHQGJFYMOYOMEI-IBGZPJMESA-N 2 1 324.468 3.349 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNCc2nc(C(C)C)n3ccccc23)C1 ZINC001661183463 1196576803 /nfs/dbraw/zinc/57/68/03/1196576803.db2.gz ASTBCVZIPUOFMH-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP CC[N@@H+]1CCC[C@@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC001661183463 1196576806 /nfs/dbraw/zinc/57/68/06/1196576806.db2.gz ASTBCVZIPUOFMH-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC001661183463 1196576809 /nfs/dbraw/zinc/57/68/09/1196576809.db2.gz ASTBCVZIPUOFMH-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001661292376 1196592158 /nfs/dbraw/zinc/59/21/58/1196592158.db2.gz QHSOQIJJBCNVNM-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP CC1(C)CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)C1 ZINC001661454100 1196607267 /nfs/dbraw/zinc/60/72/67/1196607267.db2.gz CABKPEREDJLTFV-KRWDZBQOSA-N 2 1 310.526 3.418 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1OC(C)C ZINC001661602067 1196623319 /nfs/dbraw/zinc/62/33/19/1196623319.db2.gz UWQWCTLMZPMAFT-SJORKVTESA-N 2 1 320.477 3.445 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1COC(C)(C)C1 ZINC001663414384 1196860812 /nfs/dbraw/zinc/86/08/12/1196860812.db2.gz RQXQPFAXRCMPBY-KRWDZBQOSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001663483091 1196883595 /nfs/dbraw/zinc/88/35/95/1196883595.db2.gz IODYKCDVJJYCBS-NUEKZKHPSA-N 2 1 312.379 3.444 20 0 DGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H](COC)Cc1ccccc1 ZINC001663907303 1196956257 /nfs/dbraw/zinc/95/62/57/1196956257.db2.gz GJAFJGUJBJFKAA-HXUWFJFHSA-N 2 1 318.505 3.298 20 0 DGADMP COc1ccc(SCC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001664470367 1197003003 /nfs/dbraw/zinc/00/30/03/1197003003.db2.gz BKPQNINNZMJKCZ-UHFFFAOYSA-N 2 1 308.491 3.205 20 0 DGADMP CCC[C@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001664686219 1197035420 /nfs/dbraw/zinc/03/54/20/1197035420.db2.gz KNHRHVATHBJUOX-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001664686219 1197035427 /nfs/dbraw/zinc/03/54/27/1197035427.db2.gz KNHRHVATHBJUOX-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001664686219 1197035431 /nfs/dbraw/zinc/03/54/31/1197035431.db2.gz KNHRHVATHBJUOX-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080205458 1197045484 /nfs/dbraw/zinc/04/54/84/1197045484.db2.gz IWCHZENSYFBZPS-GOSISDBHSA-N 2 1 306.494 3.141 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC001665434754 1197136563 /nfs/dbraw/zinc/13/65/63/1197136563.db2.gz TYWIIRWVCVLCMA-XEYPJELSSA-N 2 1 318.505 3.405 20 0 DGADMP CCO[C@@H](C[NH2+][C@H](C)CC(C)(C)c1ccccc1)C[NH+](C)C ZINC001665623285 1197160654 /nfs/dbraw/zinc/16/06/54/1197160654.db2.gz DDMQTAKDFPVAAC-AEFFLSMTSA-N 2 1 306.494 3.299 20 0 DGADMP CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH2+]CC=C(C)C ZINC001665808453 1197200007 /nfs/dbraw/zinc/20/00/07/1197200007.db2.gz CWKULXWXVROXPL-MRXNPFEDSA-N 2 1 323.525 3.090 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)C1CCCCC1 ZINC001665895341 1197213361 /nfs/dbraw/zinc/21/33/61/1197213361.db2.gz CGNIULPGKUCSET-ZSYWTGECSA-N 2 1 308.510 3.244 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084018913 1197458100 /nfs/dbraw/zinc/45/81/00/1197458100.db2.gz QYPGHILLGPEPQW-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084018913 1197458101 /nfs/dbraw/zinc/45/81/01/1197458101.db2.gz QYPGHILLGPEPQW-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CCCCCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001671693258 1197563038 /nfs/dbraw/zinc/56/30/38/1197563038.db2.gz ILOOZOLENBIYOU-LJQANCHMSA-N 2 1 323.525 3.023 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380911245 1197703794 /nfs/dbraw/zinc/70/37/94/1197703794.db2.gz MEIMBGGNBHNKPP-SFHVURJKSA-N 2 1 312.461 3.028 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063565 1197723219 /nfs/dbraw/zinc/72/32/19/1197723219.db2.gz WZEQVMBHQWWVMY-JXFKEZNVSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063565 1197723228 /nfs/dbraw/zinc/72/32/28/1197723228.db2.gz WZEQVMBHQWWVMY-JXFKEZNVSA-N 2 1 310.441 3.392 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000091870969 1198481573 /nfs/dbraw/zinc/48/15/73/1198481573.db2.gz CHRUYZXNWJEMLZ-UHFFFAOYSA-N 2 1 311.267 3.412 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000300532489 1199366450 /nfs/dbraw/zinc/36/64/50/1199366450.db2.gz VDVFHFMGXOYZDF-LALPHHSUSA-N 2 1 311.267 3.049 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000300532489 1199366451 /nfs/dbraw/zinc/36/64/51/1199366451.db2.gz VDVFHFMGXOYZDF-LALPHHSUSA-N 2 1 311.267 3.049 20 0 DGADMP CC(C)c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000105451225 1199541274 /nfs/dbraw/zinc/54/12/74/1199541274.db2.gz RTDOPRFJARIBFL-UHFFFAOYSA-N 2 1 317.521 3.173 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000105458033 1199543138 /nfs/dbraw/zinc/54/31/38/1199543138.db2.gz OMOLDOCQCMSJGL-SFHVURJKSA-N 2 1 312.461 3.082 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(C)c1OC(F)F ZINC000108428091 1199604704 /nfs/dbraw/zinc/60/47/04/1199604704.db2.gz HZKVDRDDGZAECV-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccccc3)CC2)oc1C ZINC000111412028 1199621048 /nfs/dbraw/zinc/62/10/48/1199621048.db2.gz VTSLEUUPTNKZRV-UHFFFAOYSA-N 2 1 313.445 3.293 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309762263 1199710027 /nfs/dbraw/zinc/71/00/27/1199710027.db2.gz YKVRWCVRHYAZSO-KRWDZBQOSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309762263 1199710032 /nfs/dbraw/zinc/71/00/32/1199710032.db2.gz YKVRWCVRHYAZSO-KRWDZBQOSA-N 2 1 315.486 3.453 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cccc(Br)c2)CC1 ZINC000313707118 1199773166 /nfs/dbraw/zinc/77/31/66/1199773166.db2.gz YUAWBHXHQISNMP-HNNXBMFYSA-N 2 1 311.267 3.066 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000318738252 1199834791 /nfs/dbraw/zinc/83/47/91/1199834791.db2.gz SEDIXRZVSQFLGT-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000318738252 1199834794 /nfs/dbraw/zinc/83/47/94/1199834794.db2.gz SEDIXRZVSQFLGT-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000318859848 1199835521 /nfs/dbraw/zinc/83/55/21/1199835521.db2.gz OTIOTTSYONPMKC-HOTGVXAUSA-N 2 1 302.462 3.090 20 0 DGADMP CC(C)[N@@H+](C)CCCNC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000319195683 1199836788 /nfs/dbraw/zinc/83/67/88/1199836788.db2.gz YKXXGAJFCSIATE-HNNXBMFYSA-N 2 1 318.383 3.059 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000319195683 1199836793 /nfs/dbraw/zinc/83/67/93/1199836793.db2.gz YKXXGAJFCSIATE-HNNXBMFYSA-N 2 1 318.383 3.059 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000319195683 1199836796 /nfs/dbraw/zinc/83/67/96/1199836796.db2.gz YKXXGAJFCSIATE-HNNXBMFYSA-N 2 1 318.383 3.059 20 0 DGADMP CCCCOCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000120407594 1200145575 /nfs/dbraw/zinc/14/55/75/1200145575.db2.gz HPNLUPHRCNZZQC-UHFFFAOYSA-N 2 1 304.478 3.447 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000123168997 1200274957 /nfs/dbraw/zinc/27/49/57/1200274957.db2.gz ZWKJJOMBCCWFFJ-UHFFFAOYSA-N 2 1 300.450 3.063 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001690468963 1200578201 /nfs/dbraw/zinc/57/82/01/1200578201.db2.gz ZBKLZPNVZZTJQD-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000126641165 1200588388 /nfs/dbraw/zinc/58/83/88/1200588388.db2.gz MBVXEQAOVAXIIA-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001692118429 1200937058 /nfs/dbraw/zinc/93/70/58/1200937058.db2.gz OUNPEVCINRIWHD-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000131735844 1201159465 /nfs/dbraw/zinc/15/94/65/1201159465.db2.gz BYVOJWSGRDRBQI-UHFFFAOYSA-N 2 1 316.493 3.036 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000131930125 1201161509 /nfs/dbraw/zinc/16/15/09/1201161509.db2.gz RBNRTSYRHKFQDW-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000134002965 1201197960 /nfs/dbraw/zinc/19/79/60/1201197960.db2.gz SMLTYTMIXOTPQC-CQSZACIVSA-N 2 1 306.498 3.470 20 0 DGADMP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001700765081 1202350649 /nfs/dbraw/zinc/35/06/49/1202350649.db2.gz MLPSOIAZZHSTEN-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001707252232 1202578486 /nfs/dbraw/zinc/57/84/86/1202578486.db2.gz LBYHZBLQBKZYDS-WBVHZDCISA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001707252232 1202578487 /nfs/dbraw/zinc/57/84/87/1202578487.db2.gz LBYHZBLQBKZYDS-WBVHZDCISA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001707252232 1202578488 /nfs/dbraw/zinc/57/84/88/1202578488.db2.gz LBYHZBLQBKZYDS-WBVHZDCISA-N 2 1 323.525 3.019 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(CC(C)C)cc2)CC1 ZINC000151724554 1202592895 /nfs/dbraw/zinc/59/28/95/1202592895.db2.gz LBBCFOIYEZTAHD-UHFFFAOYSA-N 2 1 304.478 3.086 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151673491 1202592959 /nfs/dbraw/zinc/59/29/59/1202592959.db2.gz PRXNRZCJBGHOQV-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ncccc2C(F)(F)F)c1 ZINC000152085086 1202593838 /nfs/dbraw/zinc/59/38/38/1202593838.db2.gz ZOXFZNYZFYLWFO-UHFFFAOYSA-N 2 1 323.362 3.452 20 0 DGADMP c1nc2ccccn2c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000236623824 1202614719 /nfs/dbraw/zinc/61/47/19/1202614719.db2.gz LSVQPOSRSYFCQE-UHFFFAOYSA-N 2 1 312.461 3.079 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C)C3)cc2)CC1 ZINC000236963327 1202638595 /nfs/dbraw/zinc/63/85/95/1202638595.db2.gz LJLROLWMWRMCOK-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001713430999 1202649181 /nfs/dbraw/zinc/64/91/81/1202649181.db2.gz GQWGWPIQESBGFE-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713430999 1202649182 /nfs/dbraw/zinc/64/91/82/1202649182.db2.gz GQWGWPIQESBGFE-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713430999 1202649183 /nfs/dbraw/zinc/64/91/83/1202649183.db2.gz GQWGWPIQESBGFE-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001713794129 1202691802 /nfs/dbraw/zinc/69/18/02/1202691802.db2.gz BIGKAAUFMBOWMX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001713794129 1202691803 /nfs/dbraw/zinc/69/18/03/1202691803.db2.gz BIGKAAUFMBOWMX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001713794129 1202691804 /nfs/dbraw/zinc/69/18/04/1202691804.db2.gz BIGKAAUFMBOWMX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000258948124 1202891962 /nfs/dbraw/zinc/89/19/62/1202891962.db2.gz IJZLKGGRPIHORM-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000259145503 1203416028 /nfs/dbraw/zinc/41/60/28/1203416028.db2.gz UTCITQAZYTYZER-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000259145503 1203416029 /nfs/dbraw/zinc/41/60/29/1203416029.db2.gz UTCITQAZYTYZER-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001717196540 1203597723 /nfs/dbraw/zinc/59/77/23/1203597723.db2.gz GIWUTGFPBZJUMX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717196540 1203597725 /nfs/dbraw/zinc/59/77/25/1203597725.db2.gz GIWUTGFPBZJUMX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001717196540 1203597727 /nfs/dbraw/zinc/59/77/27/1203597727.db2.gz GIWUTGFPBZJUMX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717304655 1203615583 /nfs/dbraw/zinc/61/55/83/1203615583.db2.gz NUQBIYYPXGMGNU-HJWRWDBZSA-N 2 1 323.525 3.044 20 0 DGADMP CCN(CC)Cc1nc(C2([NH2+]CCC(C)C)CCCC2)no1 ZINC000488411704 1204296349 /nfs/dbraw/zinc/29/63/49/1204296349.db2.gz KGUSENXMABLLPH-UHFFFAOYSA-N 2 1 308.470 3.316 20 0 DGADMP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001733046395 1204999071 /nfs/dbraw/zinc/99/90/71/1204999071.db2.gz XHFGICBTAJGDSM-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001733046395 1204999074 /nfs/dbraw/zinc/99/90/74/1204999074.db2.gz XHFGICBTAJGDSM-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001733046395 1204999077 /nfs/dbraw/zinc/99/90/77/1204999077.db2.gz XHFGICBTAJGDSM-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc1 ZINC001164633284 719251188 /nfs/dbraw/zinc/25/11/88/719251188.db2.gz KPKNMRYDBGMDQQ-XYJFISCASA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1 ZINC001164633284 719251192 /nfs/dbraw/zinc/25/11/92/719251192.db2.gz KPKNMRYDBGMDQQ-XYJFISCASA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1 ZINC001164633284 719251194 /nfs/dbraw/zinc/25/11/94/719251194.db2.gz KPKNMRYDBGMDQQ-XYJFISCASA-N 2 1 316.493 3.157 20 0 DGADMP Cc1cc2ccccc2c(N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH+]1 ZINC001164769658 721292900 /nfs/dbraw/zinc/29/29/00/721292900.db2.gz KODJVAXLYQJGNH-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1cc2ccccc2c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH+]1 ZINC001164769658 721292904 /nfs/dbraw/zinc/29/29/04/721292904.db2.gz KODJVAXLYQJGNH-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC001204423699 1081634316 /nfs/dbraw/zinc/63/43/16/1081634316.db2.gz FRJXWXOSHKOVRV-GJZGRUSLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@H]2C1 ZINC001204423700 1081634344 /nfs/dbraw/zinc/63/43/44/1081634344.db2.gz FRJXWXOSHKOVRV-HUUCEWRRSA-N 2 1 310.388 3.062 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169922658 1081682103 /nfs/dbraw/zinc/68/21/03/1081682103.db2.gz DHQIAYYLRLXQDC-BRWVUGGUSA-N 2 1 324.509 3.290 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC001648818889 1081931916 /nfs/dbraw/zinc/93/19/16/1081931916.db2.gz MHOJBPFZMUVIRM-VQTJNVASSA-N 2 1 307.441 3.465 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)c2)c1 ZINC001648818889 1081931918 /nfs/dbraw/zinc/93/19/18/1081931918.db2.gz MHOJBPFZMUVIRM-VQTJNVASSA-N 2 1 307.441 3.465 20 0 DGADMP CN(c1cc[nH+]c2ccc(Br)cc21)C(C)(C)C[NH3+] ZINC001170059743 1081972646 /nfs/dbraw/zinc/97/26/46/1081972646.db2.gz VCYBYRROBVFVQY-UHFFFAOYSA-N 2 1 308.223 3.171 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1C[N@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC001170137822 1082180461 /nfs/dbraw/zinc/18/04/61/1082180461.db2.gz PCGHDHZFUQTXMN-HUUCEWRRSA-N 2 1 304.482 3.072 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1CN([C@@H]1CC[C@@H](C)C1)CC2 ZINC001170137822 1082180463 /nfs/dbraw/zinc/18/04/63/1082180463.db2.gz PCGHDHZFUQTXMN-HUUCEWRRSA-N 2 1 304.482 3.072 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194186 1082304289 /nfs/dbraw/zinc/30/42/89/1082304289.db2.gz MQZCXKICSYGEOB-NXWXRZEISA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170227500 1082326690 /nfs/dbraw/zinc/32/66/90/1082326690.db2.gz NZLDDFDWYNABFH-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170227500 1082326697 /nfs/dbraw/zinc/32/66/97/1082326697.db2.gz NZLDDFDWYNABFH-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170227500 1082326702 /nfs/dbraw/zinc/32/67/02/1082326702.db2.gz NZLDDFDWYNABFH-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[n+]1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170336716 1082348689 /nfs/dbraw/zinc/34/86/89/1082348689.db2.gz CWUWQQCNSZWVFJ-OWZKRDHZSA-N 2 1 308.449 3.119 20 0 DGADMP Nc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001170333301 1082349361 /nfs/dbraw/zinc/34/93/61/1082349361.db2.gz NLXQJPRHVQXVAW-NNZMDNLPSA-N 2 1 308.429 3.271 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC)CCC[NH+](C)C ZINC001170456082 1082485987 /nfs/dbraw/zinc/48/59/87/1082485987.db2.gz OJBHYHLAVDAQJG-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP C[NH+](C)CC(C)(C)CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001157944630 1082568674 /nfs/dbraw/zinc/56/86/74/1082568674.db2.gz OWAAXOJDESLTPC-UHFFFAOYSA-N 2 1 324.900 3.331 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2cccc(C)c2)C1 ZINC001167602201 1082590390 /nfs/dbraw/zinc/59/03/90/1082590390.db2.gz JYBWTPBQYIAKMT-FQEVSTJZSA-N 2 1 318.505 3.360 20 0 DGADMP CCC/C=C/CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622422 1082599247 /nfs/dbraw/zinc/59/92/47/1082599247.db2.gz HVLFHCKVFBTADU-BQYQJAHWSA-N 2 1 323.525 3.092 20 0 DGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001170575033 1082697191 /nfs/dbraw/zinc/69/71/91/1082697191.db2.gz WBPRLSRIGQXGKZ-CRAIPNDOSA-N 2 1 322.493 3.057 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000689855598 1082736329 /nfs/dbraw/zinc/73/63/29/1082736329.db2.gz YFFZTSYBIAZMDS-YZGWKJHDSA-N 2 1 316.489 3.303 20 0 DGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132154097 1082826884 /nfs/dbraw/zinc/82/68/84/1082826884.db2.gz WZJAEQSNSPEGNU-YXWZHEERSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132154097 1082826887 /nfs/dbraw/zinc/82/68/87/1082826887.db2.gz WZJAEQSNSPEGNU-YXWZHEERSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132154097 1082826889 /nfs/dbraw/zinc/82/68/89/1082826889.db2.gz WZJAEQSNSPEGNU-YXWZHEERSA-N 2 1 323.525 3.042 20 0 DGADMP C[NH+](C)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207378093 1082832245 /nfs/dbraw/zinc/83/22/45/1082832245.db2.gz NHFYSTZLQMXBHY-UHFFFAOYSA-N 2 1 311.267 3.018 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269584 1082863438 /nfs/dbraw/zinc/86/34/38/1082863438.db2.gz MFKDMHQDMKRAAQ-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132375695 1082894132 /nfs/dbraw/zinc/89/41/32/1082894132.db2.gz GIHCWZSWPOHBNP-AQRBRUGDSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132436192 1082910259 /nfs/dbraw/zinc/91/02/59/1082910259.db2.gz JOGHQLGIJLJBMH-KBSZCIAZSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436192 1082910261 /nfs/dbraw/zinc/91/02/61/1082910261.db2.gz JOGHQLGIJLJBMH-KBSZCIAZSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436192 1082910264 /nfs/dbraw/zinc/91/02/64/1082910264.db2.gz JOGHQLGIJLJBMH-KBSZCIAZSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)[C@@H](C)C1 ZINC001167684870 1082910298 /nfs/dbraw/zinc/91/02/98/1082910298.db2.gz HDCLJRRDGXXRSQ-QFBILLFUSA-N 2 1 318.581 3.394 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([Si](C)(C)C)cc2)[C@@H](C)C1 ZINC001167684870 1082910300 /nfs/dbraw/zinc/91/03/00/1082910300.db2.gz HDCLJRRDGXXRSQ-QFBILLFUSA-N 2 1 318.581 3.394 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)[C@@H](C)C1 ZINC001167684870 1082910302 /nfs/dbraw/zinc/91/03/02/1082910302.db2.gz HDCLJRRDGXXRSQ-QFBILLFUSA-N 2 1 318.581 3.394 20 0 DGADMP [NH3+]CCN(c1cccn2cc[nH+]c12)C12CC3CC(CC(C3)C1)C2 ZINC001170625018 1082954328 /nfs/dbraw/zinc/95/43/28/1082954328.db2.gz QNALTWBCZOHUKG-UHFFFAOYSA-N 2 1 310.445 3.068 20 0 DGADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794642 1083000731 /nfs/dbraw/zinc/00/07/31/1083000731.db2.gz CKRFPLCYBXQRFS-SFHVURJKSA-N 2 1 323.525 3.070 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660211 1083060066 /nfs/dbraw/zinc/06/00/66/1083060066.db2.gz UVVPKLUFJYQMOJ-CZUORRHYSA-N 2 1 308.416 3.144 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170701595 1083174205 /nfs/dbraw/zinc/17/42/05/1083174205.db2.gz QNTVMZAHRSHLSM-INIZCTEOSA-N 2 1 308.416 3.096 20 0 DGADMP CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC001170715323 1083219296 /nfs/dbraw/zinc/21/92/96/1083219296.db2.gz GJAYAMQLQAVPPC-LDLYASANSA-N 2 1 314.473 3.043 20 0 DGADMP Clc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1Cl ZINC001245098764 1083242811 /nfs/dbraw/zinc/24/28/11/1083242811.db2.gz QMJVJWMUDGBIKL-UHFFFAOYSA-N 2 1 308.212 3.465 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479358 1083344847 /nfs/dbraw/zinc/34/48/47/1083344847.db2.gz GWRMQSNRFPMIIG-KRWDZBQOSA-N 2 1 302.462 3.216 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1CCC[C@H](C)C1 ZINC001181489426 1083476683 /nfs/dbraw/zinc/47/66/83/1083476683.db2.gz YOPBURNKJMAOKD-IPMKNSEASA-N 2 1 309.542 3.161 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC[PH+](C(C)C)C(C)C)C1 ZINC001181983789 1083593931 /nfs/dbraw/zinc/59/39/31/1083593931.db2.gz RSGFGZABTXCTDO-HNNXBMFYSA-N 2 1 300.427 3.132 20 0 DGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC000709479540 1083677216 /nfs/dbraw/zinc/67/72/16/1083677216.db2.gz CGQBDFXKAASRID-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001222532425 1083710533 /nfs/dbraw/zinc/71/05/33/1083710533.db2.gz LNRRYRPLZLBNAW-UHFFFAOYSA-N 2 1 308.294 3.107 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143519128 1083901172 /nfs/dbraw/zinc/90/11/72/1083901172.db2.gz GNBQRFNCHVOXRZ-UHFFFAOYSA-N 2 1 318.383 3.488 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143519128 1083901181 /nfs/dbraw/zinc/90/11/81/1083901181.db2.gz GNBQRFNCHVOXRZ-UHFFFAOYSA-N 2 1 318.383 3.488 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@]1(C)CCCCO1 ZINC001183282971 1083923326 /nfs/dbraw/zinc/92/33/26/1083923326.db2.gz XXWRJOZSHWRLNZ-MISYRCLQSA-N 2 1 316.489 3.303 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001167825198 1084116285 /nfs/dbraw/zinc/11/62/85/1084116285.db2.gz HIWVZQZEFLILFU-AZUAARDMSA-N 2 1 317.521 3.486 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001167826602 1084120364 /nfs/dbraw/zinc/12/03/64/1084120364.db2.gz RETUMPKEBVKUGL-RTBURBONSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001167826602 1084120367 /nfs/dbraw/zinc/12/03/67/1084120367.db2.gz RETUMPKEBVKUGL-RTBURBONSA-N 2 1 309.542 3.447 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccnc3F)C[C@H]2C1 ZINC001184302820 1084142306 /nfs/dbraw/zinc/14/23/06/1084142306.db2.gz NEJBSQAYSONOBU-JHJVBQTASA-N 2 1 311.832 3.036 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001167833499 1084142843 /nfs/dbraw/zinc/14/28/43/1084142843.db2.gz CALRUOLEWGVVRH-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205295676 1084167205 /nfs/dbraw/zinc/16/72/05/1084167205.db2.gz AYEYPZYNVROIHP-GXTWGEPZSA-N 2 1 300.368 3.165 20 0 DGADMP CC1(C)CC[N@H+](Cc2ccc3c(c2)CCCO3)CC(C)(C)[NH2+]1 ZINC001184374116 1084167395 /nfs/dbraw/zinc/16/73/95/1084167395.db2.gz JLZNCKLHGCEEJL-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP CC1(C)CC[N@@H+](Cc2ccc3c(c2)CCCO3)CC(C)(C)[NH2+]1 ZINC001184374116 1084167397 /nfs/dbraw/zinc/16/73/97/1084167397.db2.gz JLZNCKLHGCEEJL-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)c1ccccc1 ZINC001184387334 1084168814 /nfs/dbraw/zinc/16/88/14/1084168814.db2.gz JSKOOXYMFLEPOI-FCGDIQPGSA-N 2 1 302.462 3.083 20 0 DGADMP Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305500 1084238727 /nfs/dbraw/zinc/23/87/27/1084238727.db2.gz SAXIHZIGKJYNLC-RISCZKNCSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305500 1084238736 /nfs/dbraw/zinc/23/87/36/1084238736.db2.gz SAXIHZIGKJYNLC-RISCZKNCSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001184874574 1084283712 /nfs/dbraw/zinc/28/37/12/1084283712.db2.gz RANISVUFVNVAMX-CYBMUJFWSA-N 2 1 315.383 3.446 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001205324688 1084363631 /nfs/dbraw/zinc/36/36/31/1084363631.db2.gz FDTBVGOIOAQAAH-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001205324688 1084363640 /nfs/dbraw/zinc/36/36/40/1084363640.db2.gz FDTBVGOIOAQAAH-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735154 1084917473 /nfs/dbraw/zinc/91/74/73/1084917473.db2.gz MCDFNHGABMPGBD-UHFFFAOYSA-N 2 1 310.388 3.254 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735352 1085066698 /nfs/dbraw/zinc/06/66/98/1085066698.db2.gz QDJUTBKVYCOEDX-UHFFFAOYSA-N 2 1 310.388 3.254 20 0 DGADMP COc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958087 1085612932 /nfs/dbraw/zinc/61/29/32/1085612932.db2.gz BVELWKASSNEJFL-YQQQUEKLSA-N 2 1 314.473 3.233 20 0 DGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cnc1OC(C)C ZINC001204741839 1085876653 /nfs/dbraw/zinc/87/66/53/1085876653.db2.gz DCVAMJBTGRRJAN-UHFFFAOYSA-N 2 1 317.477 3.143 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(O)cc1 ZINC001167967566 1085891005 /nfs/dbraw/zinc/89/10/05/1085891005.db2.gz HJYCLNYSXHJZMR-AQXGTKIOSA-N 2 1 314.473 3.491 20 0 DGADMP COc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167974367 1085914816 /nfs/dbraw/zinc/91/48/16/1085914816.db2.gz XWMJECWDFDTBEC-AYHJJNSGSA-N 2 1 318.436 3.329 20 0 DGADMP COc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974367 1085914823 /nfs/dbraw/zinc/91/48/23/1085914823.db2.gz XWMJECWDFDTBEC-AYHJJNSGSA-N 2 1 318.436 3.329 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007794 1086164523 /nfs/dbraw/zinc/16/45/23/1086164523.db2.gz UPMULMTVIDRBJY-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756713 1086166526 /nfs/dbraw/zinc/16/65/26/1086166526.db2.gz RXLQLECQJKZKBX-LPHOPBHVSA-N 2 1 318.505 3.212 20 0 DGADMP CCCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168016285 1086301592 /nfs/dbraw/zinc/30/15/92/1086301592.db2.gz UKSJBHAQWCKTHU-IZZQQSIFSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168016447 1086305929 /nfs/dbraw/zinc/30/59/29/1086305929.db2.gz VXXDCKRVPSRYOI-LZKBNWESSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032107 1086464847 /nfs/dbraw/zinc/46/48/47/1086464847.db2.gz FESRTIWVXIHBCS-PTIUUAQKSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032107 1086464850 /nfs/dbraw/zinc/46/48/50/1086464850.db2.gz FESRTIWVXIHBCS-PTIUUAQKSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCC[C@@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039874 1086499311 /nfs/dbraw/zinc/49/93/11/1086499311.db2.gz ICFILFUMYVXOGF-MBOZVWFJSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039874 1086499317 /nfs/dbraw/zinc/49/93/17/1086499317.db2.gz ICFILFUMYVXOGF-MBOZVWFJSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041645 1086510496 /nfs/dbraw/zinc/51/04/96/1086510496.db2.gz VADVQVIZECDGME-FPPGBKCQSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041645 1086510501 /nfs/dbraw/zinc/51/05/01/1086510501.db2.gz VADVQVIZECDGME-FPPGBKCQSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041645 1086510506 /nfs/dbraw/zinc/51/05/06/1086510506.db2.gz VADVQVIZECDGME-FPPGBKCQSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041645 1086510510 /nfs/dbraw/zinc/51/05/10/1086510510.db2.gz VADVQVIZECDGME-FPPGBKCQSA-N 2 1 316.489 3.131 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2C)C1 ZINC001205008829 1086523485 /nfs/dbraw/zinc/52/34/85/1086523485.db2.gz DTBUVUHSXWFBTK-CYBMUJFWSA-N 2 1 316.367 3.325 20 0 DGADMP C[C@H]1CC([NH+]2CCSCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168049248 1086574464 /nfs/dbraw/zinc/57/44/64/1086574464.db2.gz ZJZAQFTVJVFOAA-HOTGVXAUSA-N 2 1 304.503 3.477 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCC[C@@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050684 1086589965 /nfs/dbraw/zinc/58/99/65/1086589965.db2.gz CGZYXTRAINVNKS-MBOZVWFJSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050684 1086589972 /nfs/dbraw/zinc/58/99/72/1086589972.db2.gz CGZYXTRAINVNKS-MBOZVWFJSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2COC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065451 1086661035 /nfs/dbraw/zinc/66/10/35/1086661035.db2.gz WHEGGCHILUGJOY-HGKCTWBKSA-N 2 1 302.462 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065451 1086661044 /nfs/dbraw/zinc/66/10/44/1086661044.db2.gz WHEGGCHILUGJOY-HGKCTWBKSA-N 2 1 302.462 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065451 1086661048 /nfs/dbraw/zinc/66/10/48/1086661048.db2.gz WHEGGCHILUGJOY-HGKCTWBKSA-N 2 1 302.462 3.006 20 0 DGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326890 1086796015 /nfs/dbraw/zinc/79/60/15/1086796015.db2.gz AJBKZFJNJAEKLH-ZWKOTPCHSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001168093233 1086851416 /nfs/dbraw/zinc/85/14/16/1086851416.db2.gz MGOGFXDQZMLKGS-XJKSGUPXSA-N 2 1 308.853 3.157 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168136947 1086969286 /nfs/dbraw/zinc/96/92/86/1086969286.db2.gz MIMXMDFFYYBWJH-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C)C1CCC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001168319327 1087292984 /nfs/dbraw/zinc/29/29/84/1087292984.db2.gz STBLGPKNICVJMH-UHFFFAOYSA-N 2 1 319.537 3.200 20 0 DGADMP C[NH+](C)C1CCC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001168319327 1087292988 /nfs/dbraw/zinc/29/29/88/1087292988.db2.gz STBLGPKNICVJMH-UHFFFAOYSA-N 3 1 319.537 3.200 20 0 DGADMP C[NH+](C)C1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001168319327 1087292990 /nfs/dbraw/zinc/29/29/90/1087292990.db2.gz STBLGPKNICVJMH-UHFFFAOYSA-N 3 1 319.537 3.200 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001168323145 1087293683 /nfs/dbraw/zinc/29/36/83/1087293683.db2.gz RXTVHJADNGYKPW-FAFZWHIHSA-N 2 1 302.462 3.403 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001168324871 1087293891 /nfs/dbraw/zinc/29/38/91/1087293891.db2.gz YRMBPPZUUPQXBZ-ACBHZAAOSA-N 2 1 302.462 3.150 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)C1CC[NH+](CC2CC2)CC1 ZINC001168387383 1087547457 /nfs/dbraw/zinc/54/74/57/1087547457.db2.gz GLRAZWCFKCOCEN-UHFFFAOYSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010790 1087600850 /nfs/dbraw/zinc/60/08/50/1087600850.db2.gz BFCMFYUMDOBNBH-GFCCVEGCSA-N 2 1 311.267 3.442 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970661 1087612872 /nfs/dbraw/zinc/61/28/72/1087612872.db2.gz KDDMGROKLZYUME-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970661 1087612874 /nfs/dbraw/zinc/61/28/74/1087612874.db2.gz KDDMGROKLZYUME-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970661 1087612876 /nfs/dbraw/zinc/61/28/76/1087612876.db2.gz KDDMGROKLZYUME-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439354 1087696944 /nfs/dbraw/zinc/69/69/44/1087696944.db2.gz TVISHRQPOOUABV-LJQANCHMSA-N 2 1 304.453 3.489 20 0 DGADMP CC1(C)C[C@H](Nc2nc(N3CCCC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158260112 1087746822 /nfs/dbraw/zinc/74/68/22/1087746822.db2.gz VESRAEVWXBDWPW-KBXCAEBGSA-N 2 1 317.481 3.032 20 0 DGADMP C[N@H+](Cc1ccc(Br)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305547 1087951837 /nfs/dbraw/zinc/95/18/37/1087951837.db2.gz NXEAMLKJDYTKMQ-VHRNVKJDSA-N 2 1 323.278 3.412 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117521 1088010072 /nfs/dbraw/zinc/01/00/72/1088010072.db2.gz QBGOMRLNHAPCND-KRWDZBQOSA-N 2 1 306.450 3.071 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(CO)cc1 ZINC001203193361 1088301731 /nfs/dbraw/zinc/30/17/31/1088301731.db2.gz UESAJBKOLFNTCE-RBUKOAKNSA-N 2 1 302.462 3.018 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(CO)cc1 ZINC001203193361 1088301747 /nfs/dbraw/zinc/30/17/47/1088301747.db2.gz UESAJBKOLFNTCE-RBUKOAKNSA-N 2 1 302.462 3.018 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(CO)cc1 ZINC001203193361 1088301764 /nfs/dbraw/zinc/30/17/64/1088301764.db2.gz UESAJBKOLFNTCE-RBUKOAKNSA-N 2 1 302.462 3.018 20 0 DGADMP c1[nH]c2ccc(Nc3ccc(OCC4CC[NH2+]CC4)nc3)cc2[nH+]1 ZINC001159343901 1088305835 /nfs/dbraw/zinc/30/58/35/1088305835.db2.gz PEWRRKKOIJZKFP-UHFFFAOYSA-N 2 1 323.400 3.080 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842023 1088419765 /nfs/dbraw/zinc/41/97/65/1088419765.db2.gz LYZXVQUOFMVDOM-SNVBAGLBSA-N 2 1 317.658 3.144 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842023 1088419769 /nfs/dbraw/zinc/41/97/69/1088419769.db2.gz LYZXVQUOFMVDOM-SNVBAGLBSA-N 2 1 317.658 3.144 20 0 DGADMP CN(C)c1cccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)[nH+]1 ZINC001159652250 1088435328 /nfs/dbraw/zinc/43/53/28/1088435328.db2.gz VXTGFFRBKWNPRG-SFHVURJKSA-N 2 1 324.472 3.267 20 0 DGADMP C[N@@H+]1Cc2c(NC3=CC[NH2+]C3)cccc2[C@@H](c2ccccc2)C1 ZINC001159807010 1088499276 /nfs/dbraw/zinc/49/92/76/1088499276.db2.gz IVDZFKWYBWREFX-GOSISDBHSA-N 2 1 305.425 3.163 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1cc(Cl)cc(Br)c1F ZINC001236141882 1088643077 /nfs/dbraw/zinc/64/30/77/1088643077.db2.gz NUSFUZPZJZXOHT-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP C[N@@H+](Cc1ccc(-n2c(CC[NH3+])cc3ccccc32)nc1)C1CC1 ZINC001160131551 1088658714 /nfs/dbraw/zinc/65/87/14/1088658714.db2.gz NTRWAAAXBBKTIJ-UHFFFAOYSA-N 2 1 320.440 3.121 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(Nc2ccc(C[NH3+])nc2)nc1 ZINC001160406908 1088789429 /nfs/dbraw/zinc/78/94/29/1088789429.db2.gz YKTKNXYLJJQUPB-KRWDZBQOSA-N 2 1 311.433 3.226 20 0 DGADMP [NH3+][C@@H]1CCC[C@H](Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001154986357 1088872758 /nfs/dbraw/zinc/87/27/58/1088872758.db2.gz RVAWIEVUKCIZPV-KGLIPLIRSA-N 2 1 308.857 3.013 20 0 DGADMP CC(C)(C)c1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]c1 ZINC001155461757 1089123726 /nfs/dbraw/zinc/12/37/26/1089123726.db2.gz HKTCQEMSUKPRLU-OAHLLOKOSA-N 2 1 312.461 3.402 20 0 DGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155599252 1089179849 /nfs/dbraw/zinc/17/98/49/1089179849.db2.gz SCYILOMBQLYYIU-BEFAXECRSA-N 2 1 311.429 3.114 20 0 DGADMP CC(C)c1ccc(NC2(Cc3ccccn3)CC[NH2+]CC2)[nH+]c1 ZINC001161495632 1089263798 /nfs/dbraw/zinc/26/37/98/1089263798.db2.gz YSCXNYXKONWFNZ-UHFFFAOYSA-N 2 1 310.445 3.377 20 0 DGADMP Cn1ccc2c1nc[nH+]c2N(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161675255 1089338822 /nfs/dbraw/zinc/33/88/22/1089338822.db2.gz UZTATKRTLCGYFQ-HDJSIYSDSA-N 2 1 315.465 3.091 20 0 DGADMP CC(C)(C)CN(c1nc(NC2CC2)cc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161677066 1089341822 /nfs/dbraw/zinc/34/18/22/1089341822.db2.gz GPIBXAAULZBAJC-CTYIDZIISA-N 2 1 317.481 3.173 20 0 DGADMP CCc1cc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC001161680200 1089342423 /nfs/dbraw/zinc/34/24/23/1089342423.db2.gz IXRDFKNUVLSOCU-KOMQPUFPSA-N 2 1 304.482 3.470 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@H]3C[NH2+]CC(C)(C)O3)[nH+]c2c1C ZINC001161956237 1089491034 /nfs/dbraw/zinc/49/10/34/1089491034.db2.gz GIECBFGHDMCWAS-OAHLLOKOSA-N 2 1 313.445 3.339 20 0 DGADMP Cc1cc(C)[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001156385550 1089500590 /nfs/dbraw/zinc/50/05/90/1089500590.db2.gz GJHSRBKUOYZDGX-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP CCCc1cc(N2CCC3(CC2)CC[NH+](C)CC3)nc(C)[nH+]1 ZINC001156575304 1089590566 /nfs/dbraw/zinc/59/05/66/1089590566.db2.gz MBUGKGKIHUOKIA-UHFFFAOYSA-N 2 1 302.466 3.050 20 0 DGADMP CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001484718963 1089611259 /nfs/dbraw/zinc/61/12/59/1089611259.db2.gz WKLBOLYMCRUXGM-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001484718963 1089611270 /nfs/dbraw/zinc/61/12/70/1089611270.db2.gz WKLBOLYMCRUXGM-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001484718963 1089611277 /nfs/dbraw/zinc/61/12/77/1089611277.db2.gz WKLBOLYMCRUXGM-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001484820371 1089700034 /nfs/dbraw/zinc/70/00/34/1089700034.db2.gz PQXDKVIWKXSLDC-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1C(F)(F)F ZINC001162476271 1089752861 /nfs/dbraw/zinc/75/28/61/1089752861.db2.gz NEXWBYOEMHBFKR-LBPRGKRZSA-N 2 1 301.356 3.199 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]([NH3+])[C@@H]2C)nc1 ZINC001157745458 1090096410 /nfs/dbraw/zinc/09/64/10/1090096410.db2.gz ISSYWTBKICKSJS-RYQLBKOJSA-N 2 1 316.493 3.335 20 0 DGADMP CC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485357831 1090133486 /nfs/dbraw/zinc/13/34/86/1090133486.db2.gz LXOKSYFKKGYFCI-XXCOWLKOSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1ccc2c(C)cc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c2c1 ZINC001163310593 1090146547 /nfs/dbraw/zinc/14/65/47/1090146547.db2.gz MPSLGSQTGWLSRC-BEFAXECRSA-N 2 1 311.429 3.175 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc(C[NH+]3CCCC3)cn2)[C@@H](C)C1 ZINC001163366195 1090167137 /nfs/dbraw/zinc/16/71/37/1090167137.db2.gz SKRZDIDCNBUPBH-FUHWJXTLSA-N 2 1 316.493 3.208 20 0 DGADMP FC(F)(F)C1(c2cc(N[C@H]3C[NH+]4CCC3CC4)cc[nH+]2)CC1 ZINC001163394115 1090174559 /nfs/dbraw/zinc/17/45/59/1090174559.db2.gz DNCYQBTWSKVNLH-ZDUSSCGKSA-N 2 1 311.351 3.182 20 0 DGADMP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001485482829 1090188411 /nfs/dbraw/zinc/18/84/11/1090188411.db2.gz PTVLSSSQJOYIFH-OPDSQHBBSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@H+]1CCN(c2cc(N3CCCC3)cc[nH+]2)[C@H](c2ccccc2)C1 ZINC001163671259 1090228463 /nfs/dbraw/zinc/22/84/63/1090228463.db2.gz AQJLJHOEMHHXIU-IBGZPJMESA-N 2 1 322.456 3.175 20 0 DGADMP Cc1cc2cc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)c2[nH]1 ZINC001163905987 1090283447 /nfs/dbraw/zinc/28/34/47/1090283447.db2.gz ZVQTZEOATDNVPJ-UHFFFAOYSA-N 2 1 321.428 3.345 20 0 DGADMP Cc1[nH+]ccn1CCNc1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001163933389 1090290576 /nfs/dbraw/zinc/29/05/76/1090290576.db2.gz RZXWSHNNLATVKD-UHFFFAOYSA-N 2 1 302.397 3.039 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)CC[C@H]2C[NH3+])nc1 ZINC001164078088 1090335464 /nfs/dbraw/zinc/33/54/64/1090335464.db2.gz MGYXOAVTLUIEQA-RYQLBKOJSA-N 2 1 316.493 3.192 20 0 DGADMP C[NH+](C)C1(CNc2cccc3c2CCCC3)CC[NH+](C)CC1 ZINC001164210760 1090372813 /nfs/dbraw/zinc/37/28/13/1090372813.db2.gz INBRNDVKTQPUPN-UHFFFAOYSA-N 2 1 301.478 3.003 20 0 DGADMP CCn1ccc2cc(NCC3([NH+](C)C)CC[NH+](C)CC3)ccc21 ZINC001164216736 1090374623 /nfs/dbraw/zinc/37/46/23/1090374623.db2.gz JKWLSDLZQUHWQE-UHFFFAOYSA-N 2 1 314.477 3.099 20 0 DGADMP CCc1cccc(CC)c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164217283 1090374735 /nfs/dbraw/zinc/37/47/35/1090374735.db2.gz SXYYISZKVDFRPB-UHFFFAOYSA-N 2 1 303.494 3.249 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2C1CCCC1 ZINC001164467818 1090427493 /nfs/dbraw/zinc/42/74/93/1090427493.db2.gz NFPUUBJVNBUXLL-KBPBESRZSA-N 2 1 313.449 3.110 20 0 DGADMP CN(CC[NH+]1CCCC1)c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001165142256 1090471665 /nfs/dbraw/zinc/47/16/65/1090471665.db2.gz URCLDHMBCUSMLT-UHFFFAOYSA-N 2 1 324.472 3.367 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(CC)CC ZINC001168606061 1090600872 /nfs/dbraw/zinc/60/08/72/1090600872.db2.gz AUMFZPDEEFONSX-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001486188703 1090782676 /nfs/dbraw/zinc/78/26/76/1090782676.db2.gz XVFYVIIMCPKBRV-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203701314 1090784317 /nfs/dbraw/zinc/78/43/17/1090784317.db2.gz RTSZIVUKCLLMDE-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001203701314 1090784321 /nfs/dbraw/zinc/78/43/21/1090784321.db2.gz RTSZIVUKCLLMDE-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203701314 1090784324 /nfs/dbraw/zinc/78/43/24/1090784324.db2.gz RTSZIVUKCLLMDE-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203701314 1090784327 /nfs/dbraw/zinc/78/43/27/1090784327.db2.gz RTSZIVUKCLLMDE-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(C)c3C)C[C@H]2C1 ZINC001203727766 1090790799 /nfs/dbraw/zinc/79/07/99/1090790799.db2.gz XYCIOFAWTWBHSA-QZTJIDSGSA-N 2 1 302.462 3.086 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001203736107 1090792752 /nfs/dbraw/zinc/79/27/52/1090792752.db2.gz NEIHKDHXYOAKTR-FQEVSTJZSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001203736107 1090792756 /nfs/dbraw/zinc/79/27/56/1090792756.db2.gz NEIHKDHXYOAKTR-FQEVSTJZSA-N 2 1 316.489 3.379 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1O ZINC001203870830 1090823645 /nfs/dbraw/zinc/82/36/45/1090823645.db2.gz DAPYAKZYKLRUNA-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1O ZINC001203870830 1090823655 /nfs/dbraw/zinc/82/36/55/1090823655.db2.gz DAPYAKZYKLRUNA-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1O ZINC001203870830 1090823660 /nfs/dbraw/zinc/82/36/60/1090823660.db2.gz DAPYAKZYKLRUNA-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1O ZINC001203870830 1090823667 /nfs/dbraw/zinc/82/36/67/1090823667.db2.gz DAPYAKZYKLRUNA-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867852 1090824480 /nfs/dbraw/zinc/82/44/80/1090824480.db2.gz RWWQNYKTEKGVFZ-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867852 1090824481 /nfs/dbraw/zinc/82/44/81/1090824481.db2.gz RWWQNYKTEKGVFZ-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867852 1090824483 /nfs/dbraw/zinc/82/44/83/1090824483.db2.gz RWWQNYKTEKGVFZ-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203867852 1090824484 /nfs/dbraw/zinc/82/44/84/1090824484.db2.gz RWWQNYKTEKGVFZ-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP C([C@@H]1CCCO1)[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276434437 1090864324 /nfs/dbraw/zinc/86/43/24/1090864324.db2.gz RRSFGOOZANQEIH-RBUKOAKNSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276434437 1090864330 /nfs/dbraw/zinc/86/43/30/1090864330.db2.gz RRSFGOOZANQEIH-RBUKOAKNSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276434437 1090864334 /nfs/dbraw/zinc/86/43/34/1090864334.db2.gz RRSFGOOZANQEIH-RBUKOAKNSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC001204063629 1090888866 /nfs/dbraw/zinc/88/88/66/1090888866.db2.gz JJZNAIQMEUGOPN-HOTGVXAUSA-N 2 1 315.486 3.173 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204078186 1090893153 /nfs/dbraw/zinc/89/31/53/1090893153.db2.gz RAMRAHDSKUTNPX-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CCN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078184 1090893592 /nfs/dbraw/zinc/89/35/92/1090893592.db2.gz RAMRAHDSKUTNPX-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082626 1090897086 /nfs/dbraw/zinc/89/70/86/1090897086.db2.gz ZDQBORXSHWHPIO-RTWAWAEBSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082626 1090897092 /nfs/dbraw/zinc/89/70/92/1090897092.db2.gz ZDQBORXSHWHPIO-RTWAWAEBSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082626 1090897098 /nfs/dbraw/zinc/89/70/98/1090897098.db2.gz ZDQBORXSHWHPIO-RTWAWAEBSA-N 2 1 321.468 3.426 20 0 DGADMP Cc1nc[nH]c1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204589992 1091003493 /nfs/dbraw/zinc/00/34/93/1091003493.db2.gz MCZGOOIAYUBUPD-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C2CCC2)c2c1OC(F)(F)O2 ZINC001204648343 1091012308 /nfs/dbraw/zinc/01/23/08/1091012308.db2.gz QVQUBXUACAKLPX-UHFFFAOYSA-N 2 1 312.360 3.054 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)cn1 ZINC001204749078 1091029638 /nfs/dbraw/zinc/02/96/38/1091029638.db2.gz XARLJDRNQMEFCL-UHFFFAOYSA-N 2 1 323.868 3.099 20 0 DGADMP Cc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)cc1 ZINC001204919116 1091063381 /nfs/dbraw/zinc/06/33/81/1091063381.db2.gz VFGIAZKRTYLBGE-OWZKRDHZSA-N 2 1 321.468 3.399 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001204925708 1091064944 /nfs/dbraw/zinc/06/49/44/1091064944.db2.gz ZTSZLLBHJNHMPE-AWEZNQCLSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001204925708 1091064949 /nfs/dbraw/zinc/06/49/49/1091064949.db2.gz ZTSZLLBHJNHMPE-AWEZNQCLSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001204940481 1091068223 /nfs/dbraw/zinc/06/82/23/1091068223.db2.gz XZAIUKGOVAWCGN-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001204940481 1091068231 /nfs/dbraw/zinc/06/82/31/1091068231.db2.gz XZAIUKGOVAWCGN-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([NH3+])CC3)s2)cc1 ZINC001205101566 1091102882 /nfs/dbraw/zinc/10/28/82/1091102882.db2.gz IIIWDRSWBBNPEA-AWEZNQCLSA-N 2 1 317.458 3.132 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2c(OC)cccc12 ZINC001205102231 1091103031 /nfs/dbraw/zinc/10/30/31/1091103031.db2.gz QHNWRRQTQWFVBP-OAHLLOKOSA-N 2 1 314.429 3.170 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([NH3+])CC3)n2)cc1 ZINC001205109923 1091104290 /nfs/dbraw/zinc/10/42/90/1091104290.db2.gz NEHMISJWWDNWEI-INIZCTEOSA-N 2 1 311.429 3.070 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC001205146607 1091112564 /nfs/dbraw/zinc/11/25/64/1091112564.db2.gz YUHPZGDZIKRADO-GXSJLCMTSA-N 2 1 306.759 3.385 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC001205146607 1091112569 /nfs/dbraw/zinc/11/25/69/1091112569.db2.gz YUHPZGDZIKRADO-GXSJLCMTSA-N 2 1 306.759 3.385 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C)c1Br ZINC001205145852 1091112542 /nfs/dbraw/zinc/11/25/42/1091112542.db2.gz KCRUITSERSKBAC-GXTWGEPZSA-N 2 1 311.267 3.093 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C)c1Br ZINC001205145852 1091112546 /nfs/dbraw/zinc/11/25/46/1091112546.db2.gz KCRUITSERSKBAC-GXTWGEPZSA-N 2 1 311.267 3.093 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2CCc2ccccc2)C[C@H]1C[NH3+] ZINC001205150835 1091113371 /nfs/dbraw/zinc/11/33/71/1091113371.db2.gz LIYSPFZIFRPSIJ-LAUBAEHRSA-N 2 1 308.469 3.498 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)Cc2ccccc21 ZINC001205164655 1091116325 /nfs/dbraw/zinc/11/63/25/1091116325.db2.gz KZPDJLGAXICZHE-QGZVFWFLSA-N 2 1 321.468 3.216 20 0 DGADMP Fc1cc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(F)c1F ZINC001205173473 1091120280 /nfs/dbraw/zinc/12/02/80/1091120280.db2.gz FVPBWCOCXUIURY-UHFFFAOYSA-N 2 1 321.277 3.245 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c4ccccc4[nH]c3C(C)(C)C)C[C@@H]2C1 ZINC001138314864 1091138494 /nfs/dbraw/zinc/13/84/94/1091138494.db2.gz QOLORIQTECUZPP-GASCZTMLSA-N 2 1 311.473 3.459 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c4ccccc4[nH]c3C(C)(C)C)C[C@@H]2C1 ZINC001138314864 1091138500 /nfs/dbraw/zinc/13/85/00/1091138500.db2.gz QOLORIQTECUZPP-GASCZTMLSA-N 2 1 311.473 3.459 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c4ccccc4[nH]c3C(C)(C)C)C[C@@H]2C1 ZINC001138314864 1091138505 /nfs/dbraw/zinc/13/85/05/1091138505.db2.gz QOLORIQTECUZPP-GASCZTMLSA-N 2 1 311.473 3.459 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)cc2)cc1 ZINC001205228150 1091138680 /nfs/dbraw/zinc/13/86/80/1091138680.db2.gz CNHBNOFLPPTTEM-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc3c4ccccc4oc32)CC1 ZINC001205230681 1091140098 /nfs/dbraw/zinc/14/00/98/1091140098.db2.gz TWBICGFCFLCZML-FQEVSTJZSA-N 2 1 324.424 3.262 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001205241249 1091144263 /nfs/dbraw/zinc/14/42/63/1091144263.db2.gz RZADUNUSRMYSGX-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC001205256119 1091151321 /nfs/dbraw/zinc/15/13/21/1091151321.db2.gz NHUZLTYWVAOARJ-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255098 1091151874 /nfs/dbraw/zinc/15/18/74/1091151874.db2.gz GQUMUMZVQBEJTR-SFHVURJKSA-N 2 1 312.498 3.484 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001205256077 1091152122 /nfs/dbraw/zinc/15/21/22/1091152122.db2.gz MOLDHWBWDQODQH-LJQANCHMSA-N 2 1 301.478 3.106 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001205289602 1091167838 /nfs/dbraw/zinc/16/78/38/1091167838.db2.gz ZKGVXMMKGTYEBH-KRWDZBQOSA-N 2 1 318.852 3.229 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303442 1091172807 /nfs/dbraw/zinc/17/28/07/1091172807.db2.gz FQCVDVMPIBDGKT-OCCSQVGLSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303442 1091172812 /nfs/dbraw/zinc/17/28/12/1091172812.db2.gz FQCVDVMPIBDGKT-OCCSQVGLSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)C[C@H]1C[NH3+] ZINC001205304799 1091175682 /nfs/dbraw/zinc/17/56/82/1091175682.db2.gz PUVPZMKUEQQEDU-GXTWGEPZSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC001205306756 1091177015 /nfs/dbraw/zinc/17/70/15/1091177015.db2.gz ZQNOFXITHDFBJZ-AEFFLSMTSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)C[C@@H]1C[NH3+] ZINC001205314395 1091180392 /nfs/dbraw/zinc/18/03/92/1091180392.db2.gz BKUMLSIOEBZECL-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)C[C@@H]1C[NH3+] ZINC001205314395 1091180396 /nfs/dbraw/zinc/18/03/96/1091180396.db2.gz BKUMLSIOEBZECL-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001138429153 1091181045 /nfs/dbraw/zinc/18/10/45/1091181045.db2.gz WQARPCKNODJTLJ-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205316490 1091181079 /nfs/dbraw/zinc/18/10/79/1091181079.db2.gz KBKRGEHZCXHMAE-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205316490 1091181084 /nfs/dbraw/zinc/18/10/84/1091181084.db2.gz KBKRGEHZCXHMAE-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@@H]1C[NH3+] ZINC001205316870 1091182504 /nfs/dbraw/zinc/18/25/04/1091182504.db2.gz LOHUTSQONJCPPF-KXBFYZLASA-N 2 1 310.441 3.476 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc1 ZINC001138542091 1091218788 /nfs/dbraw/zinc/21/87/88/1091218788.db2.gz ACGXUEXQHTXAKV-BEFAXECRSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc1 ZINC001138542091 1091218797 /nfs/dbraw/zinc/21/87/97/1091218797.db2.gz ACGXUEXQHTXAKV-BEFAXECRSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001138544283 1091221066 /nfs/dbraw/zinc/22/10/66/1091221066.db2.gz FVWLTXRCBZDEGX-DNVCBOLYSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001138544283 1091221080 /nfs/dbraw/zinc/22/10/80/1091221080.db2.gz FVWLTXRCBZDEGX-DNVCBOLYSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001138544283 1091221097 /nfs/dbraw/zinc/22/10/97/1091221097.db2.gz FVWLTXRCBZDEGX-DNVCBOLYSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001138544303 1091222394 /nfs/dbraw/zinc/22/23/94/1091222394.db2.gz FYECJTDSESMEIJ-UHFFFAOYSA-N 2 1 319.408 3.445 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001138544303 1091222423 /nfs/dbraw/zinc/22/24/23/1091222423.db2.gz FYECJTDSESMEIJ-UHFFFAOYSA-N 2 1 319.408 3.445 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001138547399 1091224242 /nfs/dbraw/zinc/22/42/42/1091224242.db2.gz MPFDVCAZJHPZNW-FQEVSTJZSA-N 2 1 324.472 3.241 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC001138547143 1091226075 /nfs/dbraw/zinc/22/60/75/1091226075.db2.gz FXKANWGQOLNHLQ-LJQANCHMSA-N 2 1 319.412 3.308 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC001138547143 1091226084 /nfs/dbraw/zinc/22/60/84/1091226084.db2.gz FXKANWGQOLNHLQ-LJQANCHMSA-N 2 1 319.412 3.308 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001205559454 1091253713 /nfs/dbraw/zinc/25/37/13/1091253713.db2.gz RASYAYLJCNAQAZ-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001205559454 1091253726 /nfs/dbraw/zinc/25/37/26/1091253726.db2.gz RASYAYLJCNAQAZ-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1OC(C)C ZINC001205559467 1091254185 /nfs/dbraw/zinc/25/41/85/1091254185.db2.gz RHCWEXPJTIPATN-GOSISDBHSA-N 2 1 324.440 3.135 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205559915 1091255743 /nfs/dbraw/zinc/25/57/43/1091255743.db2.gz XAOQRXLKZUSMAB-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001205570484 1091260085 /nfs/dbraw/zinc/26/00/85/1091260085.db2.gz KRAYXSSQGZPPSK-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001205570484 1091260094 /nfs/dbraw/zinc/26/00/94/1091260094.db2.gz KRAYXSSQGZPPSK-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001205578392 1091265282 /nfs/dbraw/zinc/26/52/82/1091265282.db2.gz ATYQGUQXNBZEPH-GFCCVEGCSA-N 2 1 321.259 3.164 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccn2Cc2ccccc2)CC1 ZINC001205582898 1091267202 /nfs/dbraw/zinc/26/72/02/1091267202.db2.gz ZNOYDVSUCSBIDB-LJQANCHMSA-N 2 1 315.436 3.189 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205591196 1091269522 /nfs/dbraw/zinc/26/95/22/1091269522.db2.gz HARBIXGOLKYURB-HNNXBMFYSA-N 2 1 320.330 3.080 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001205591746 1091270945 /nfs/dbraw/zinc/27/09/45/1091270945.db2.gz OTHBMDVYATUPCH-KRWDZBQOSA-N 2 1 305.372 3.027 20 0 DGADMP CCCn1ncc(CN(C)Cc2ccc(-n3ccnc3)cc2)c1C ZINC001138642304 1091272929 /nfs/dbraw/zinc/27/29/29/1091272929.db2.gz URUOVAKBNGAGHY-UHFFFAOYSA-N 2 1 323.444 3.419 20 0 DGADMP C[C@@H]1CC[N@@H+](CC2CCN(c3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205601931 1091273480 /nfs/dbraw/zinc/27/34/80/1091273480.db2.gz GTDUSTIMEDZDJD-IEBWSBKVSA-N 2 1 315.505 3.210 20 0 DGADMP CCOc1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276394797 1091274892 /nfs/dbraw/zinc/27/48/92/1091274892.db2.gz JDHUINZCKGRUFE-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC[C@H]1C[NH3+] ZINC001205617462 1091281908 /nfs/dbraw/zinc/28/19/08/1091281908.db2.gz KCGDIPQBCLKKQZ-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205617686 1091282145 /nfs/dbraw/zinc/28/21/45/1091282145.db2.gz MJKKLMGJQZLAOX-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@@H]1C[NH3+] ZINC001205617810 1091282613 /nfs/dbraw/zinc/28/26/13/1091282613.db2.gz NZYUJQUOSAHPJM-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@@H]1C[NH3+] ZINC001205617810 1091282620 /nfs/dbraw/zinc/28/26/20/1091282620.db2.gz NZYUJQUOSAHPJM-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205617689 1091282706 /nfs/dbraw/zinc/28/27/06/1091282706.db2.gz MJKKLMGJQZLAOX-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)[nH]1 ZINC001205618261 1091283913 /nfs/dbraw/zinc/28/39/13/1091283913.db2.gz TXKWPWWAKJQEGW-STQMWFEESA-N 2 1 312.889 3.213 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@H]1C[NH3+] ZINC001205618386 1091284478 /nfs/dbraw/zinc/28/44/78/1091284478.db2.gz VREUTIWIIXPSON-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1CC ZINC001205618690 1091284777 /nfs/dbraw/zinc/28/47/77/1091284777.db2.gz YGPMWITXMCXPQX-CRAIPNDOSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205628223 1091285543 /nfs/dbraw/zinc/28/55/43/1091285543.db2.gz UBSPHLWWECCXHT-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC001205627373 1091285781 /nfs/dbraw/zinc/28/57/81/1091285781.db2.gz OTSYHPXCFBHWCP-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205626720 1091287084 /nfs/dbraw/zinc/28/70/84/1091287084.db2.gz IKINJRDLMWWYDF-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629187 1091287828 /nfs/dbraw/zinc/28/78/28/1091287828.db2.gz YFKNHKQTJDWUHT-CZUORRHYSA-N 2 1 306.498 3.062 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1F ZINC001205629490 1091288381 /nfs/dbraw/zinc/28/83/81/1091288381.db2.gz ZGKRWMXICXAEAE-TZMCWYRMSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccnc3c(F)cccc23)CC[C@@H]1C[NH3+] ZINC001205639067 1091292795 /nfs/dbraw/zinc/29/27/95/1091292795.db2.gz VJXOMQOBQAFISY-ZIAGYGMSSA-N 2 1 301.409 3.181 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1SC ZINC001205653909 1091297425 /nfs/dbraw/zinc/29/74/25/1091297425.db2.gz VTMFNYZOHLQSEE-ZFWWWQNUSA-N 2 1 308.491 3.224 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205653274 1091298066 /nfs/dbraw/zinc/29/80/66/1091298066.db2.gz SJPBOUONOAQQIW-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@@H]1C[NH3+] ZINC001205655277 1091298331 /nfs/dbraw/zinc/29/83/31/1091298331.db2.gz ZBYABGWYGMCHAG-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)c1C ZINC001138724551 1091301110 /nfs/dbraw/zinc/30/11/10/1091301110.db2.gz HZNFVTDDVOSLQV-VQIMIIECSA-N 2 1 302.462 3.004 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)c1C ZINC001138724551 1091301120 /nfs/dbraw/zinc/30/11/20/1091301120.db2.gz HZNFVTDDVOSLQV-VQIMIIECSA-N 2 1 302.462 3.004 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1C ZINC001138724041 1091302869 /nfs/dbraw/zinc/30/28/69/1091302869.db2.gz CJARYVNGYCUNHH-LJQANCHMSA-N 2 1 302.462 3.148 20 0 DGADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1C ZINC001138724041 1091302875 /nfs/dbraw/zinc/30/28/75/1091302875.db2.gz CJARYVNGYCUNHH-LJQANCHMSA-N 2 1 302.462 3.148 20 0 DGADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1C ZINC001138724041 1091302887 /nfs/dbraw/zinc/30/28/87/1091302887.db2.gz CJARYVNGYCUNHH-LJQANCHMSA-N 2 1 302.462 3.148 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@](C)(F)C2)cc1 ZINC001138769633 1091322530 /nfs/dbraw/zinc/32/25/30/1091322530.db2.gz VWICNNOUPHTBOQ-SFHVURJKSA-N 2 1 308.441 3.341 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001138770225 1091322892 /nfs/dbraw/zinc/32/28/92/1091322892.db2.gz TYMHCVJHZSAPDH-SJORKVTESA-N 2 1 304.478 3.495 20 0 DGADMP Cc1cccc2c1CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138770237 1091323482 /nfs/dbraw/zinc/32/34/82/1091323482.db2.gz UPYTZOZLYVDLOC-UHFFFAOYSA-N 2 1 324.468 3.494 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001205735525 1091325998 /nfs/dbraw/zinc/32/59/98/1091325998.db2.gz NDMDWPGEKMAUIJ-HXUWFJFHSA-N 2 1 316.489 3.410 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2-c2nccs2)CCC1(F)F ZINC001205767872 1091338548 /nfs/dbraw/zinc/33/85/48/1091338548.db2.gz BSHUGRAZJLRFDZ-ZDUSSCGKSA-N 2 1 323.412 3.226 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2-c2nccs2)CCC1(F)F ZINC001205767872 1091338567 /nfs/dbraw/zinc/33/85/67/1091338567.db2.gz BSHUGRAZJLRFDZ-ZDUSSCGKSA-N 2 1 323.412 3.226 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(C)c1C ZINC001205771633 1091341870 /nfs/dbraw/zinc/34/18/70/1091341870.db2.gz UKQBAGRIDWHJAQ-CQSZACIVSA-N 2 1 312.404 3.036 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(C)c1C ZINC001205771633 1091341881 /nfs/dbraw/zinc/34/18/81/1091341881.db2.gz UKQBAGRIDWHJAQ-CQSZACIVSA-N 2 1 312.404 3.036 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205795537 1091351104 /nfs/dbraw/zinc/35/11/04/1091351104.db2.gz HZKMZDIEWSIRLB-HNNXBMFYSA-N 2 1 312.404 3.198 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205795537 1091351112 /nfs/dbraw/zinc/35/11/12/1091351112.db2.gz HZKMZDIEWSIRLB-HNNXBMFYSA-N 2 1 312.404 3.198 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)cnc2Cl)CC1 ZINC001138891774 1091368360 /nfs/dbraw/zinc/36/83/60/1091368360.db2.gz FHZJOURBTCTPIX-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cnc2Cl)CC1 ZINC001138891774 1091368376 /nfs/dbraw/zinc/36/83/76/1091368376.db2.gz FHZJOURBTCTPIX-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941577 1091385228 /nfs/dbraw/zinc/38/52/28/1091385228.db2.gz KUPHMVIIQUYSHM-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941577 1091385240 /nfs/dbraw/zinc/38/52/40/1091385240.db2.gz KUPHMVIIQUYSHM-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941577 1091385247 /nfs/dbraw/zinc/38/52/47/1091385247.db2.gz KUPHMVIIQUYSHM-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941577 1091385258 /nfs/dbraw/zinc/38/52/58/1091385258.db2.gz KUPHMVIIQUYSHM-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(OCC(C)C)cc3)C[C@H]2C1 ZINC001138970644 1091398155 /nfs/dbraw/zinc/39/81/55/1091398155.db2.gz UPLNZRGENFULOH-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970644 1091398163 /nfs/dbraw/zinc/39/81/63/1091398163.db2.gz UPLNZRGENFULOH-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970644 1091398177 /nfs/dbraw/zinc/39/81/77/1091398177.db2.gz UPLNZRGENFULOH-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970644 1091398189 /nfs/dbraw/zinc/39/81/89/1091398189.db2.gz UPLNZRGENFULOH-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970644 1091398199 /nfs/dbraw/zinc/39/81/99/1091398199.db2.gz UPLNZRGENFULOH-KDURUIRLSA-N 2 1 316.489 3.495 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205901027 1091400391 /nfs/dbraw/zinc/40/03/91/1091400391.db2.gz APWULAZDXFETER-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205901027 1091400395 /nfs/dbraw/zinc/40/03/95/1091400395.db2.gz APWULAZDXFETER-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205901711 1091400408 /nfs/dbraw/zinc/40/04/08/1091400408.db2.gz FNDXWXZHJDOTHW-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205901711 1091400411 /nfs/dbraw/zinc/40/04/11/1091400411.db2.gz FNDXWXZHJDOTHW-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2nccs2)c1 ZINC001205902475 1091400438 /nfs/dbraw/zinc/40/04/38/1091400438.db2.gz JXHKSSLRGFPAOE-CJNGLKHVSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001205912822 1091407693 /nfs/dbraw/zinc/40/76/93/1091407693.db2.gz CVGGYEGYEZANAP-VXGBXAGGSA-N 2 1 319.836 3.153 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915801 1091409226 /nfs/dbraw/zinc/40/92/26/1091409226.db2.gz QOKICLQSFUPWFE-UONOGXRCSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915801 1091409231 /nfs/dbraw/zinc/40/92/31/1091409231.db2.gz QOKICLQSFUPWFE-UONOGXRCSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001205914562 1091409299 /nfs/dbraw/zinc/40/92/99/1091409299.db2.gz NAHYOQGPJUNMSD-ZFWWWQNUSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916955 1091412236 /nfs/dbraw/zinc/41/22/36/1091412236.db2.gz WZCFCKIYLVGUBC-KBPBESRZSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916955 1091412248 /nfs/dbraw/zinc/41/22/48/1091412248.db2.gz WZCFCKIYLVGUBC-KBPBESRZSA-N 2 1 318.852 3.085 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)cc1Cl ZINC001205993044 1091439334 /nfs/dbraw/zinc/43/93/34/1091439334.db2.gz GUYUDBRBHURCGM-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CCC[C@@H]1C[NH3+] ZINC001205996200 1091441373 /nfs/dbraw/zinc/44/13/73/1091441373.db2.gz WACLFCSPWFLSJV-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@@H]1C[NH3+] ZINC001205996200 1091441377 /nfs/dbraw/zinc/44/13/77/1091441377.db2.gz WACLFCSPWFLSJV-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@@H]1C[NH3+] ZINC001205996200 1091441386 /nfs/dbraw/zinc/44/13/86/1091441386.db2.gz WACLFCSPWFLSJV-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001205994331 1091441509 /nfs/dbraw/zinc/44/15/09/1091441509.db2.gz KUUMTQWBRLWPAQ-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)o2)CCC[C@@H]1C[NH3+] ZINC001205995826 1091441606 /nfs/dbraw/zinc/44/16/06/1091441606.db2.gz QXAKRRHRDLMFLG-JKSUJKDBSA-N 2 1 305.466 3.077 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001205994328 1091442109 /nfs/dbraw/zinc/44/21/09/1091442109.db2.gz KUUMTQWBRLWPAQ-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OCC)c1 ZINC001206003168 1091443712 /nfs/dbraw/zinc/44/37/12/1091443712.db2.gz FQOVNUYERYYIQE-JKSUJKDBSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H]1C[N@H+](Cc2sc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003930 1091445307 /nfs/dbraw/zinc/44/53/07/1091445307.db2.gz NRYAZUWIILMXPU-BDAKNGLRSA-N 2 1 308.278 3.257 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2sc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003930 1091445315 /nfs/dbraw/zinc/44/53/15/1091445315.db2.gz NRYAZUWIILMXPU-BDAKNGLRSA-N 2 1 308.278 3.257 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206004107 1091445575 /nfs/dbraw/zinc/44/55/75/1091445575.db2.gz QJUDYIAMSJEBBI-GJZGRUSLSA-N 2 1 313.445 3.050 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004460 1091446461 /nfs/dbraw/zinc/44/64/61/1091446461.db2.gz SMTXHCWMHVBUDF-RHSMWYFYSA-N 2 1 313.445 3.457 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206015012 1091451323 /nfs/dbraw/zinc/45/13/23/1091451323.db2.gz ZKLAQWSANVHBIC-AAEUAGOBSA-N 2 1 316.367 3.218 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206015014 1091451735 /nfs/dbraw/zinc/45/17/35/1091451735.db2.gz ZKLAQWSANVHBIC-WCQYABFASA-N 2 1 316.367 3.218 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CCC[C@H]1C[NH3+] ZINC001206026513 1091457245 /nfs/dbraw/zinc/45/72/45/1091457245.db2.gz SOSWZCXJLFNVQF-OCCSQVGLSA-N 2 1 318.852 3.090 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CCC[C@@H]1C[NH3+] ZINC001206034846 1091460608 /nfs/dbraw/zinc/46/06/08/1091460608.db2.gz BBELZOPALAPXLB-NVXWUHKLSA-N 2 1 319.468 3.233 20 0 DGADMP COc1cc(O)ccc1CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001139143794 1091463914 /nfs/dbraw/zinc/46/39/14/1091463914.db2.gz ZFGJTVOQXDHPQQ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)ccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001139143794 1091463917 /nfs/dbraw/zinc/46/39/17/1091463917.db2.gz ZFGJTVOQXDHPQQ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)ccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001139143794 1091463923 /nfs/dbraw/zinc/46/39/23/1091463923.db2.gz ZFGJTVOQXDHPQQ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001139143794 1091463925 /nfs/dbraw/zinc/46/39/25/1091463925.db2.gz ZFGJTVOQXDHPQQ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206037841 1091463830 /nfs/dbraw/zinc/46/38/30/1091463830.db2.gz XYNYWRLTQIMDCK-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP COc1cc(O)ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001139143794 1091463930 /nfs/dbraw/zinc/46/39/30/1091463930.db2.gz ZFGJTVOQXDHPQQ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC001206036806 1091464091 /nfs/dbraw/zinc/46/40/91/1091464091.db2.gz QNMWKEJCDUVMBT-AEFFLSMTSA-N 2 1 319.493 3.376 20 0 DGADMP COc1ccc2c(c1)c(C[N@H+](C)CCC[NH+]1CCCC1)cn2C ZINC001139151092 1091467892 /nfs/dbraw/zinc/46/78/92/1091467892.db2.gz XEQSKORAUUFXAT-UHFFFAOYSA-N 2 1 315.461 3.105 20 0 DGADMP COc1ccc2c(c1)c(C[N@@H+](C)CCC[NH+]1CCCC1)cn2C ZINC001139151092 1091467894 /nfs/dbraw/zinc/46/78/94/1091467894.db2.gz XEQSKORAUUFXAT-UHFFFAOYSA-N 2 1 315.461 3.105 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001206084944 1091486052 /nfs/dbraw/zinc/48/60/52/1091486052.db2.gz QYYHNAAEJMUMMR-QZTJIDSGSA-N 2 1 303.494 3.223 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001206084944 1091486056 /nfs/dbraw/zinc/48/60/56/1091486056.db2.gz QYYHNAAEJMUMMR-QZTJIDSGSA-N 2 1 303.494 3.223 20 0 DGADMP CN1CCC([N@H+](C)Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001139243954 1091498583 /nfs/dbraw/zinc/49/85/83/1091498583.db2.gz JCPWAUMETLFHEC-UHFFFAOYSA-N 2 1 311.429 3.400 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001139243954 1091498588 /nfs/dbraw/zinc/49/85/88/1091498588.db2.gz JCPWAUMETLFHEC-UHFFFAOYSA-N 2 1 311.429 3.400 20 0 DGADMP CCCOc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1 ZINC001206142128 1091506925 /nfs/dbraw/zinc/50/69/25/1091506925.db2.gz FMTFBWNSBBLNPM-UHFFFAOYSA-N 2 1 315.392 3.086 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156665 1091512136 /nfs/dbraw/zinc/51/21/36/1091512136.db2.gz RTAJQTDUJMCGMJ-HRCADAONSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156665 1091512147 /nfs/dbraw/zinc/51/21/47/1091512147.db2.gz RTAJQTDUJMCGMJ-HRCADAONSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156665 1091512154 /nfs/dbraw/zinc/51/21/54/1091512154.db2.gz RTAJQTDUJMCGMJ-HRCADAONSA-N 2 1 302.478 3.369 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2nccs2)CC[C@@H]1F ZINC001206173499 1091520590 /nfs/dbraw/zinc/52/05/90/1091520590.db2.gz HRGCRCWLLOOHOR-GJZGRUSLSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@@H]1F ZINC001206175244 1091522802 /nfs/dbraw/zinc/52/28/02/1091522802.db2.gz SWXPEQMEUDHFDR-IRXDYDNUSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@@H]1F ZINC001206175244 1091522809 /nfs/dbraw/zinc/52/28/09/1091522809.db2.gz SWXPEQMEUDHFDR-IRXDYDNUSA-N 2 1 317.383 3.149 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206209935 1091535567 /nfs/dbraw/zinc/53/55/67/1091535567.db2.gz ITSWBUJPUGCCRY-KGLIPLIRSA-N 2 1 315.230 3.019 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206209935 1091535571 /nfs/dbraw/zinc/53/55/71/1091535571.db2.gz ITSWBUJPUGCCRY-KGLIPLIRSA-N 2 1 315.230 3.019 20 0 DGADMP COc1ccc2sc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2c1 ZINC001206197692 1091530347 /nfs/dbraw/zinc/53/03/47/1091530347.db2.gz JADSYWWXJZZODF-CABCVRRESA-N 2 1 308.422 3.171 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2cnccn2)cc1 ZINC001139394263 1091544680 /nfs/dbraw/zinc/54/46/80/1091544680.db2.gz BUXBVWUTIKDMAA-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)cc1Cl ZINC001206303157 1091569266 /nfs/dbraw/zinc/56/92/66/1091569266.db2.gz BXGIKFZINOGAFU-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[NH+]1CCCC1 ZINC001206308488 1091571590 /nfs/dbraw/zinc/57/15/90/1091571590.db2.gz DGNNCNIVDPQTEX-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001206317513 1091574859 /nfs/dbraw/zinc/57/48/59/1091574859.db2.gz GMJUFFYZCFBUJR-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c21 ZINC001206317783 1091576744 /nfs/dbraw/zinc/57/67/44/1091576744.db2.gz IQDSYVGOKMBLHP-GOSISDBHSA-N 2 1 301.434 3.127 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC(C)C)c1 ZINC001206324733 1091578696 /nfs/dbraw/zinc/57/86/96/1091578696.db2.gz CRXXOCJQEQAXAB-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(F)c(F)c2F)CC1 ZINC001206325744 1091581246 /nfs/dbraw/zinc/58/12/46/1091581246.db2.gz IRYIFRWWGVHKOR-HNNXBMFYSA-N 2 1 304.331 3.194 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(F)c(F)c2F)CC1 ZINC001206325744 1091581250 /nfs/dbraw/zinc/58/12/50/1091581250.db2.gz IRYIFRWWGVHKOR-HNNXBMFYSA-N 2 1 304.331 3.194 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001206371368 1091603253 /nfs/dbraw/zinc/60/32/53/1091603253.db2.gz UFXBSRVOUWRMET-IBGZPJMESA-N 2 1 320.452 3.234 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001206371368 1091603257 /nfs/dbraw/zinc/60/32/57/1091603257.db2.gz UFXBSRVOUWRMET-IBGZPJMESA-N 2 1 320.452 3.234 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)CCn2ccnc2)cc1Cl ZINC001139597735 1091615033 /nfs/dbraw/zinc/61/50/33/1091615033.db2.gz ISSRDTLUTDWLFC-UHFFFAOYSA-N 2 1 307.825 3.457 20 0 DGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001139714935 1091651023 /nfs/dbraw/zinc/65/10/23/1091651023.db2.gz ADZXBYVIVDXXEF-UHFFFAOYSA-N 2 1 302.462 3.459 20 0 DGADMP C[NH+](C)CC(C)(C)CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001168766191 1091651945 /nfs/dbraw/zinc/65/19/45/1091651945.db2.gz DNDGXWWRMMCZEM-UHFFFAOYSA-N 2 1 319.497 3.103 20 0 DGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542031 1091662342 /nfs/dbraw/zinc/66/23/42/1091662342.db2.gz PJXJRHAQMWFZOI-KXBFYZLASA-N 2 1 318.461 3.045 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001206563500 1091669905 /nfs/dbraw/zinc/66/99/05/1091669905.db2.gz DXWXTHKLWWFSLM-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCC(C)(C)C[NH+](C)C)nc1 ZINC001168766469 1091672876 /nfs/dbraw/zinc/67/28/76/1091672876.db2.gz LIAXTGCKFODATA-MRXNPFEDSA-N 2 1 318.509 3.456 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c2c1ccnc2Cl ZINC001206580518 1091676168 /nfs/dbraw/zinc/67/61/68/1091676168.db2.gz DGTBXYOUNKYXOM-QGZVFWFLSA-N 2 1 320.868 3.178 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc2c1OCC=C2 ZINC001206583822 1091678522 /nfs/dbraw/zinc/67/85/22/1091678522.db2.gz WWLMBJZYEKAZJW-LJQANCHMSA-N 2 1 316.445 3.052 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)cc21 ZINC001206607377 1091687437 /nfs/dbraw/zinc/68/74/37/1091687437.db2.gz ZSLOVZKTDZTXOP-LJQANCHMSA-N 2 1 315.505 3.422 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001206622566 1091693620 /nfs/dbraw/zinc/69/36/20/1091693620.db2.gz FVYRRISNYCKIBE-INIZCTEOSA-N 2 1 313.420 3.449 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCc1ccccc1Br ZINC001206760413 1091726874 /nfs/dbraw/zinc/72/68/74/1091726874.db2.gz FWQZCRCVNJAFGJ-OLZOCXBDSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1Br ZINC001206760413 1091726878 /nfs/dbraw/zinc/72/68/78/1091726878.db2.gz FWQZCRCVNJAFGJ-OLZOCXBDSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001206767620 1091729884 /nfs/dbraw/zinc/72/98/84/1091729884.db2.gz CNNGFWAUAMYFJH-WBVHZDCISA-N 2 1 311.473 3.465 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1OCC ZINC001206768680 1091731330 /nfs/dbraw/zinc/73/13/30/1091731330.db2.gz LJVOTKXLMQEGMD-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001206767901 1091731850 /nfs/dbraw/zinc/73/18/50/1091731850.db2.gz FZGDLLBYHHSYLV-GDBMZVCRSA-N 2 1 302.462 3.349 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2-c2cncnc2)CC1 ZINC001140019188 1091739073 /nfs/dbraw/zinc/73/90/73/1091739073.db2.gz YBOMDJNPOPTATO-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2-c2cncnc2)CC1 ZINC001140019188 1091739077 /nfs/dbraw/zinc/73/90/77/1091739077.db2.gz YBOMDJNPOPTATO-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CCN(CC[NH+](CC)CC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140028100 1091743571 /nfs/dbraw/zinc/74/35/71/1091743571.db2.gz KSPWSTUQZGHRPY-UHFFFAOYSA-N 2 1 314.477 3.344 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497213 1091761455 /nfs/dbraw/zinc/76/14/55/1091761455.db2.gz GKOQFIVEDTXIDA-YSIASYRMSA-N 3 1 319.537 3.295 20 0 DGADMP C[N@@H+]1CCC[C@@H](CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497213 1091761462 /nfs/dbraw/zinc/76/14/62/1091761462.db2.gz GKOQFIVEDTXIDA-YSIASYRMSA-N 2 1 319.537 3.295 20 0 DGADMP C[N@H+]1CCC[C@@H](CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497213 1091761468 /nfs/dbraw/zinc/76/14/68/1091761468.db2.gz GKOQFIVEDTXIDA-YSIASYRMSA-N 2 1 319.537 3.295 20 0 DGADMP CN1CCC[C@@H](C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)C1 ZINC001276497213 1091761474 /nfs/dbraw/zinc/76/14/74/1091761474.db2.gz GKOQFIVEDTXIDA-YSIASYRMSA-N 2 1 319.537 3.295 20 0 DGADMP C[N@H+]1CCC[C@@H](CN2CCC3(CC[NH+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763269 /nfs/dbraw/zinc/76/32/69/1091763269.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763275 /nfs/dbraw/zinc/76/32/75/1091763275.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763285 /nfs/dbraw/zinc/76/32/85/1091763285.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 3 1 319.537 3.059 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CC[NH+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763293 /nfs/dbraw/zinc/76/32/93/1091763293.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 3 1 319.537 3.059 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC[NH+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763298 /nfs/dbraw/zinc/76/32/98/1091763298.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763307 /nfs/dbraw/zinc/76/33/07/1091763307.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763314 /nfs/dbraw/zinc/76/33/14/1091763314.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 2 1 319.537 3.059 20 0 DGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763318 /nfs/dbraw/zinc/76/33/18/1091763318.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 2 1 319.537 3.059 20 0 DGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001276497408 1091763324 /nfs/dbraw/zinc/76/33/24/1091763324.db2.gz KBFHEAGCZCVVMR-GOSISDBHSA-N 2 1 319.537 3.059 20 0 DGADMP c1[nH+]c(CN2CCCC[C@@H]2CC[NH+]2CCCC2)n2ccccc12 ZINC001207050881 1091831242 /nfs/dbraw/zinc/83/12/42/1091831242.db2.gz FJMFKIWPXZDQSD-QGZVFWFLSA-N 2 1 312.461 3.175 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001203032135 1091849710 /nfs/dbraw/zinc/84/97/10/1091849710.db2.gz NRHLDAQRRSEWOH-AZUAARDMSA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001203032135 1091849716 /nfs/dbraw/zinc/84/97/16/1091849716.db2.gz NRHLDAQRRSEWOH-AZUAARDMSA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001203032135 1091849724 /nfs/dbraw/zinc/84/97/24/1091849724.db2.gz NRHLDAQRRSEWOH-AZUAARDMSA-N 2 1 317.521 3.074 20 0 DGADMP Cc1ccccc1-n1nccc1CNCCC[N@H+](C)CC(C)C ZINC001203033377 1091852707 /nfs/dbraw/zinc/85/27/07/1091852707.db2.gz XGVLETUJEIGVBN-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001203033377 1091852711 /nfs/dbraw/zinc/85/27/11/1091852711.db2.gz XGVLETUJEIGVBN-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001203033377 1091852718 /nfs/dbraw/zinc/85/27/18/1091852718.db2.gz XGVLETUJEIGVBN-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001276512188 1091867279 /nfs/dbraw/zinc/86/72/79/1091867279.db2.gz PFTSIDMICRXLIK-HXUWFJFHSA-N 2 1 321.553 3.306 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140450016 1091871205 /nfs/dbraw/zinc/87/12/05/1091871205.db2.gz HYPYTOKUNVPTPO-ZBFHGGJFSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140450016 1091871213 /nfs/dbraw/zinc/87/12/13/1091871213.db2.gz HYPYTOKUNVPTPO-ZBFHGGJFSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3nccs3)C[C@@H]2C1 ZINC001140450016 1091871217 /nfs/dbraw/zinc/87/12/17/1091871217.db2.gz HYPYTOKUNVPTPO-ZBFHGGJFSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182804 1091879572 /nfs/dbraw/zinc/87/95/72/1091879572.db2.gz LRVOFVFFKVWDFO-CBZIJGRNSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182804 1091879578 /nfs/dbraw/zinc/87/95/78/1091879578.db2.gz LRVOFVFFKVWDFO-CBZIJGRNSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182804 1091879588 /nfs/dbraw/zinc/87/95/88/1091879588.db2.gz LRVOFVFFKVWDFO-CBZIJGRNSA-N 2 1 304.865 3.327 20 0 DGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1(C)C ZINC001207278565 1091908492 /nfs/dbraw/zinc/90/84/92/1091908492.db2.gz FWLXCKJFQDLRET-QRVBRYPASA-N 2 1 319.537 3.079 20 0 DGADMP CCN(CC(C)(C)C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207282320 1091909902 /nfs/dbraw/zinc/90/99/02/1091909902.db2.gz HYTNBFQHCSFXEM-IBGZPJMESA-N 2 1 317.521 3.171 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001207285361 1091910835 /nfs/dbraw/zinc/91/08/35/1091910835.db2.gz HVUXRXMLNNTLTN-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP Cc1cccc(OC2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001207282809 1091911308 /nfs/dbraw/zinc/91/13/08/1091911308.db2.gz PPESQVARQLDPPL-UHFFFAOYSA-N 2 1 304.478 3.426 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H](O)CC1 ZINC001207286822 1091912803 /nfs/dbraw/zinc/91/28/03/1091912803.db2.gz NCZUDNWTMMHHIM-MXVIHJGJSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](CCc1cccnc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292330 1091914091 /nfs/dbraw/zinc/91/40/91/1091914091.db2.gz NUPVDCXADPIZQL-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001207291892 1091914390 /nfs/dbraw/zinc/91/43/90/1091914390.db2.gz FQDURRDKJSVLPR-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)ncc2F)CC1 ZINC001140607553 1091929644 /nfs/dbraw/zinc/92/96/44/1091929644.db2.gz OCBLYQAPFZCCTQ-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)ncc2F)CC1 ZINC001140607553 1091929649 /nfs/dbraw/zinc/92/96/49/1091929649.db2.gz OCBLYQAPFZCCTQ-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC001207391289 1091953235 /nfs/dbraw/zinc/95/32/35/1091953235.db2.gz BMQJPRYUCCZVKO-UHFFFAOYSA-N 2 1 323.278 3.149 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001207398596 1091954395 /nfs/dbraw/zinc/95/43/95/1091954395.db2.gz BXBLQNXWZOQDIR-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001207484968 1091985201 /nfs/dbraw/zinc/98/52/01/1091985201.db2.gz PGWYMIWQJXSJBJ-LJQANCHMSA-N 2 1 302.462 3.262 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001140806107 1092008806 /nfs/dbraw/zinc/00/88/06/1092008806.db2.gz BHLUTKJPBGDTHA-INIZCTEOSA-N 2 1 308.385 3.001 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001140806107 1092008817 /nfs/dbraw/zinc/00/88/17/1092008817.db2.gz BHLUTKJPBGDTHA-INIZCTEOSA-N 2 1 308.385 3.001 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001140805644 1092009626 /nfs/dbraw/zinc/00/96/26/1092009626.db2.gz CNVJOXVBZDPJSY-INIZCTEOSA-N 2 1 308.385 3.001 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001140805644 1092009636 /nfs/dbraw/zinc/00/96/36/1092009636.db2.gz CNVJOXVBZDPJSY-INIZCTEOSA-N 2 1 308.385 3.001 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805874 1092010604 /nfs/dbraw/zinc/01/06/04/1092010604.db2.gz PAPHDTNWDOKYET-MRXNPFEDSA-N 2 1 322.412 3.310 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805874 1092010615 /nfs/dbraw/zinc/01/06/15/1092010615.db2.gz PAPHDTNWDOKYET-MRXNPFEDSA-N 2 1 322.412 3.310 20 0 DGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(-n2ccnc2)cc1 ZINC001140806016 1092012319 /nfs/dbraw/zinc/01/23/19/1092012319.db2.gz UHFIYTZTCMMYFH-UHFFFAOYSA-N 2 1 317.396 3.381 20 0 DGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(-n2ccnc2)cc1 ZINC001140806016 1092012329 /nfs/dbraw/zinc/01/23/29/1092012329.db2.gz UHFIYTZTCMMYFH-UHFFFAOYSA-N 2 1 317.396 3.381 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621083 1092045767 /nfs/dbraw/zinc/04/57/67/1092045767.db2.gz YZTSFXHQHDDDKA-YRPNKDGESA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621083 1092045774 /nfs/dbraw/zinc/04/57/74/1092045774.db2.gz YZTSFXHQHDDDKA-YRPNKDGESA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621083 1092045783 /nfs/dbraw/zinc/04/57/83/1092045783.db2.gz YZTSFXHQHDDDKA-YRPNKDGESA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621083 1092045791 /nfs/dbraw/zinc/04/57/91/1092045791.db2.gz YZTSFXHQHDDDKA-YRPNKDGESA-N 2 1 318.505 3.021 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)[C@@H]1C ZINC001140974143 1092087738 /nfs/dbraw/zinc/08/77/38/1092087738.db2.gz VMOVZMMYBLTVDA-IAGOWNOFSA-N 2 1 301.478 3.059 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001140970906 1092088837 /nfs/dbraw/zinc/08/88/37/1092088837.db2.gz YXULNUNNFXMNAI-ZWKOTPCHSA-N 2 1 313.489 3.060 20 0 DGADMP CCC(CC)[N@@H+](CC)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971418 1092089192 /nfs/dbraw/zinc/08/91/92/1092089192.db2.gz UZMNPJDMDLCAEE-UHFFFAOYSA-N 2 1 303.494 3.449 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001140970904 1092089326 /nfs/dbraw/zinc/08/93/26/1092089326.db2.gz YXULNUNNFXMNAI-QZTJIDSGSA-N 2 1 313.489 3.060 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC001207837626 1092113095 /nfs/dbraw/zinc/11/30/95/1092113095.db2.gz QYCYNKUUAVQVAU-WDSOQIARSA-N 2 1 300.490 3.456 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC001141040731 1092116324 /nfs/dbraw/zinc/11/63/24/1092116324.db2.gz UCFOSYPLJVUFGS-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP c1cn2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2n1 ZINC001141044528 1092118769 /nfs/dbraw/zinc/11/87/69/1092118769.db2.gz NFUMKCFJWAICBQ-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2n1 ZINC001141044528 1092118772 /nfs/dbraw/zinc/11/87/72/1092118772.db2.gz NFUMKCFJWAICBQ-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001207845768 1092119127 /nfs/dbraw/zinc/11/91/27/1092119127.db2.gz MVIAHNIBOCPDCE-UHFFFAOYSA-N 2 1 323.362 3.393 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001207845768 1092119131 /nfs/dbraw/zinc/11/91/31/1092119131.db2.gz MVIAHNIBOCPDCE-UHFFFAOYSA-N 2 1 323.362 3.393 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc(-n3ccnc3)c2)CC1 ZINC001141243230 1092190803 /nfs/dbraw/zinc/19/08/03/1092190803.db2.gz ATKBTZFCDCJTCA-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000088688663 1092197085 /nfs/dbraw/zinc/19/70/85/1092197085.db2.gz ZYWCKGLVCPKESK-FRQCXROJSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000088688663 1092197092 /nfs/dbraw/zinc/19/70/92/1092197092.db2.gz ZYWCKGLVCPKESK-FRQCXROJSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(CCC[N@@H+](C)CC2(C)CC[NH+](C)CC2)c1 ZINC001208108696 1092198599 /nfs/dbraw/zinc/19/85/99/1092198599.db2.gz GWSWHNKXXGDGHN-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208113779 1092202206 /nfs/dbraw/zinc/20/22/06/1092202206.db2.gz OPTJTAUNFWXPBD-SFHVURJKSA-N 2 1 315.505 3.097 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001208114768 1092203016 /nfs/dbraw/zinc/20/30/16/1092203016.db2.gz BBFGCTIBNYGTAY-KRWDZBQOSA-N 2 1 306.425 3.011 20 0 DGADMP C[NH+](C)CC1(C[N@H+](C)Cc2ccc3c(c2)OCCO3)CCCC1 ZINC001208184393 1092248129 /nfs/dbraw/zinc/24/81/29/1092248129.db2.gz KYNDOHWPYXKGAI-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CCCC1 ZINC001208184393 1092248139 /nfs/dbraw/zinc/24/81/39/1092248139.db2.gz KYNDOHWPYXKGAI-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208226352 1092280842 /nfs/dbraw/zinc/28/08/42/1092280842.db2.gz OBUDHXCEMIOFCG-HNNXBMFYSA-N 2 1 318.461 3.010 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]2C1 ZINC001141582295 1092280898 /nfs/dbraw/zinc/28/08/98/1092280898.db2.gz KXQGXAMYDHPMDC-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]2C1 ZINC001141582295 1092280910 /nfs/dbraw/zinc/28/09/10/1092280910.db2.gz KXQGXAMYDHPMDC-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]2C1 ZINC001141582295 1092280923 /nfs/dbraw/zinc/28/09/23/1092280923.db2.gz KXQGXAMYDHPMDC-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP CC[N@@H+](CC1(c2ccccc2)CCOCC1)C1CCN(C)CC1 ZINC001208228311 1092283124 /nfs/dbraw/zinc/28/31/24/1092283124.db2.gz YPJWTDTTXRFFRC-UHFFFAOYSA-N 2 1 316.489 3.151 20 0 DGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331028 1092315086 /nfs/dbraw/zinc/31/50/86/1092315086.db2.gz JPHGSEAROXSCOR-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331027 1092316732 /nfs/dbraw/zinc/31/67/32/1092316732.db2.gz JPHGSEAROXSCOR-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208361794 1092329135 /nfs/dbraw/zinc/32/91/35/1092329135.db2.gz ICSOWVAJDGNXTN-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC(C)(C)CO2)cc1 ZINC001168836179 1092390462 /nfs/dbraw/zinc/39/04/62/1092390462.db2.gz AYADFJUGCLIQMI-SFHVURJKSA-N 2 1 304.478 3.385 20 0 DGADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001203117928 1092407353 /nfs/dbraw/zinc/40/73/53/1092407353.db2.gz PZSXBRJYLCCMCL-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001208598545 1092419260 /nfs/dbraw/zinc/41/92/60/1092419260.db2.gz SDXFQNYGOSNSIF-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607373 1092425671 /nfs/dbraw/zinc/42/56/71/1092425671.db2.gz MQQPLVDABJYBBL-ZWKOTPCHSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607373 1092425678 /nfs/dbraw/zinc/42/56/78/1092425678.db2.gz MQQPLVDABJYBBL-ZWKOTPCHSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607373 1092425684 /nfs/dbraw/zinc/42/56/84/1092425684.db2.gz MQQPLVDABJYBBL-ZWKOTPCHSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001208613059 1092427510 /nfs/dbraw/zinc/42/75/10/1092427510.db2.gz OLGSQKUPPCRCQK-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001208613059 1092427515 /nfs/dbraw/zinc/42/75/15/1092427515.db2.gz OLGSQKUPPCRCQK-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001208613059 1092427521 /nfs/dbraw/zinc/42/75/21/1092427521.db2.gz OLGSQKUPPCRCQK-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1ccsc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204018418 1092428942 /nfs/dbraw/zinc/42/89/42/1092428942.db2.gz WMKLXVYJRUIQML-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccsc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204018418 1092428952 /nfs/dbraw/zinc/42/89/52/1092428952.db2.gz WMKLXVYJRUIQML-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccsc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204018418 1092428960 /nfs/dbraw/zinc/42/89/60/1092428960.db2.gz WMKLXVYJRUIQML-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccsc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204018418 1092428969 /nfs/dbraw/zinc/42/89/69/1092428969.db2.gz WMKLXVYJRUIQML-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)c1 ZINC001208616959 1092430900 /nfs/dbraw/zinc/43/09/00/1092430900.db2.gz LQZZBISBSIUKPJ-MOPGFXCFSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208616959 1092430907 /nfs/dbraw/zinc/43/09/07/1092430907.db2.gz LQZZBISBSIUKPJ-MOPGFXCFSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208616959 1092430913 /nfs/dbraw/zinc/43/09/13/1092430913.db2.gz LQZZBISBSIUKPJ-MOPGFXCFSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1 ZINC001208616964 1092431590 /nfs/dbraw/zinc/43/15/90/1092431590.db2.gz LQZZBISBSIUKPJ-RBUKOAKNSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208616964 1092431592 /nfs/dbraw/zinc/43/15/92/1092431592.db2.gz LQZZBISBSIUKPJ-RBUKOAKNSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208616964 1092431593 /nfs/dbraw/zinc/43/15/93/1092431593.db2.gz LQZZBISBSIUKPJ-RBUKOAKNSA-N 2 1 316.489 3.292 20 0 DGADMP Cc1cnccc1O[C@@H]1CCN(Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142238256 1092445981 /nfs/dbraw/zinc/44/59/81/1092445981.db2.gz MGEHDODHXDKXBI-CQSZACIVSA-N 2 1 314.433 3.064 20 0 DGADMP CC/C=C\CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001208726477 1092472644 /nfs/dbraw/zinc/47/26/44/1092472644.db2.gz XAASJSATQHOQCT-OSJSJHBBSA-N 2 1 322.493 3.082 20 0 DGADMP CC(C)CCC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001208736292 1092483897 /nfs/dbraw/zinc/48/38/97/1092483897.db2.gz XIGSMMSDPZSYEC-UHFFFAOYSA-N 2 1 318.509 3.163 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208789099 1092510716 /nfs/dbraw/zinc/51/07/16/1092510716.db2.gz REVYTMGHCURSNG-INIZCTEOSA-N 2 1 312.498 3.018 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169095695 1092525863 /nfs/dbraw/zinc/52/58/63/1092525863.db2.gz RMPRKTBIHAXBDD-BTTYYORXSA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169095695 1092525875 /nfs/dbraw/zinc/52/58/75/1092525875.db2.gz RMPRKTBIHAXBDD-BTTYYORXSA-N 2 1 314.351 3.300 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2[nH]cnc21 ZINC001142689981 1092532384 /nfs/dbraw/zinc/53/23/84/1092532384.db2.gz PAYOBGQGWHOMEA-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]cnc21 ZINC001142689981 1092532398 /nfs/dbraw/zinc/53/23/98/1092532398.db2.gz PAYOBGQGWHOMEA-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2[nH]cnc21 ZINC001142689981 1092532407 /nfs/dbraw/zinc/53/24/07/1092532407.db2.gz PAYOBGQGWHOMEA-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2nc[nH]c21 ZINC001142689981 1092532425 /nfs/dbraw/zinc/53/24/25/1092532425.db2.gz PAYOBGQGWHOMEA-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2nc[nH]c21 ZINC001142689981 1092532436 /nfs/dbraw/zinc/53/24/36/1092532436.db2.gz PAYOBGQGWHOMEA-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2nc[nH]c21 ZINC001142689981 1092532447 /nfs/dbraw/zinc/53/24/47/1092532447.db2.gz PAYOBGQGWHOMEA-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2nc[nH]c21 ZINC001142689981 1092532461 /nfs/dbraw/zinc/53/24/61/1092532461.db2.gz PAYOBGQGWHOMEA-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP CSc1ccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169101234 1092533265 /nfs/dbraw/zinc/53/32/65/1092533265.db2.gz PPHSZSFZCPVVAH-QKDCVEJESA-N 2 1 306.475 3.002 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169119545 1092542718 /nfs/dbraw/zinc/54/27/18/1092542718.db2.gz UCRGRFXHSOEUOE-BCDXTJNWSA-N 2 1 314.473 3.233 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169123124 1092545065 /nfs/dbraw/zinc/54/50/65/1092545065.db2.gz JDTYNRIGBCSBOV-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169123124 1092545076 /nfs/dbraw/zinc/54/50/76/1092545076.db2.gz JDTYNRIGBCSBOV-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001169107160 1092550843 /nfs/dbraw/zinc/55/08/43/1092550843.db2.gz FJHYMYQFLOSNBR-ZJPYXAASSA-N 2 1 304.865 3.412 20 0 DGADMP Cc1cc2c[nH+]c(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)nc2[nH]1 ZINC001169139388 1092551200 /nfs/dbraw/zinc/55/12/00/1092551200.db2.gz ZRVQEIMLKLYPTR-GUYCJALGSA-N 2 1 301.438 3.174 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001169115544 1092555865 /nfs/dbraw/zinc/55/58/65/1092555865.db2.gz KQZALNYRJMICPL-MUJYYYPQSA-N 2 1 318.436 3.046 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001169115544 1092555867 /nfs/dbraw/zinc/55/58/67/1092555867.db2.gz KQZALNYRJMICPL-MUJYYYPQSA-N 2 1 318.436 3.046 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142392 1092559268 /nfs/dbraw/zinc/55/92/68/1092559268.db2.gz UCJQPGPUPHRBNN-ZMMAXQRCSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142392 1092559275 /nfs/dbraw/zinc/55/92/75/1092559275.db2.gz UCJQPGPUPHRBNN-ZMMAXQRCSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142392 1092559283 /nfs/dbraw/zinc/55/92/83/1092559283.db2.gz UCJQPGPUPHRBNN-ZMMAXQRCSA-N 2 1 300.446 3.457 20 0 DGADMP Cc1ccccc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142334 1092559782 /nfs/dbraw/zinc/55/97/82/1092559782.db2.gz TUSFDPUZQQAWFE-MHORFTMASA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142334 1092559791 /nfs/dbraw/zinc/55/97/91/1092559791.db2.gz TUSFDPUZQQAWFE-MHORFTMASA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142334 1092559806 /nfs/dbraw/zinc/55/98/06/1092559806.db2.gz TUSFDPUZQQAWFE-MHORFTMASA-N 2 1 300.446 3.073 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142833216 1092562230 /nfs/dbraw/zinc/56/22/30/1092562230.db2.gz VCHJJOLWABQCKF-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142833216 1092562237 /nfs/dbraw/zinc/56/22/37/1092562237.db2.gz VCHJJOLWABQCKF-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142833216 1092562248 /nfs/dbraw/zinc/56/22/48/1092562248.db2.gz VCHJJOLWABQCKF-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169154976 1092566794 /nfs/dbraw/zinc/56/67/94/1092566794.db2.gz VIACZHMFYWIGDJ-FJIDUMEYSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169154976 1092566798 /nfs/dbraw/zinc/56/67/98/1092566798.db2.gz VIACZHMFYWIGDJ-FJIDUMEYSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169154976 1092566812 /nfs/dbraw/zinc/56/68/12/1092566812.db2.gz VIACZHMFYWIGDJ-FJIDUMEYSA-N 2 1 300.446 3.110 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cc(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001206003135 1092572474 /nfs/dbraw/zinc/57/24/74/1092572474.db2.gz FIFFTUWZGTWQFY-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001169140255 1092575825 /nfs/dbraw/zinc/57/58/25/1092575825.db2.gz QGXYBXLNGVBDHW-XVMXLUHGSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001169140255 1092575836 /nfs/dbraw/zinc/57/58/36/1092575836.db2.gz QGXYBXLNGVBDHW-XVMXLUHGSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001169140255 1092575846 /nfs/dbraw/zinc/57/58/46/1092575846.db2.gz QGXYBXLNGVBDHW-XVMXLUHGSA-N 2 1 318.505 3.139 20 0 DGADMP C[N@@H+](CC1CCN(c2ccccc2)CC1)CC1CC[NH+](C)CC1 ZINC001208913153 1092582859 /nfs/dbraw/zinc/58/28/59/1092582859.db2.gz BYGSSBMWKDYMFE-UHFFFAOYSA-N 2 1 315.505 3.177 20 0 DGADMP c1cn2cccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c2n1 ZINC001142956766 1092594793 /nfs/dbraw/zinc/59/47/93/1092594793.db2.gz ZZPLPJSEXZYFBZ-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2cccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c2n1 ZINC001142956766 1092594800 /nfs/dbraw/zinc/59/48/00/1092594800.db2.gz ZZPLPJSEXZYFBZ-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP CCCO[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937903 1092598772 /nfs/dbraw/zinc/59/87/72/1092598772.db2.gz WGLHTUQFTJGHMN-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208937903 1092598776 /nfs/dbraw/zinc/59/87/76/1092598776.db2.gz WGLHTUQFTJGHMN-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208937903 1092598788 /nfs/dbraw/zinc/59/87/88/1092598788.db2.gz WGLHTUQFTJGHMN-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943795 1092602884 /nfs/dbraw/zinc/60/28/84/1092602884.db2.gz UXPQNONXMTVQPY-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943795 1092602890 /nfs/dbraw/zinc/60/28/90/1092602890.db2.gz UXPQNONXMTVQPY-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943795 1092602896 /nfs/dbraw/zinc/60/28/96/1092602896.db2.gz UXPQNONXMTVQPY-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP CCC1(O)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940128 1092602913 /nfs/dbraw/zinc/60/29/13/1092602913.db2.gz PYENWVIUWWZBSI-IBGZPJMESA-N 2 1 316.489 3.136 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001169231168 1092603902 /nfs/dbraw/zinc/60/39/02/1092603902.db2.gz TYEBGDCDZRDCTF-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CC)CC1 ZINC001169261747 1092605481 /nfs/dbraw/zinc/60/54/81/1092605481.db2.gz NRSKFSWVRQVQQT-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CCOC4)CC3)C2)cc1 ZINC001208947688 1092606150 /nfs/dbraw/zinc/60/61/50/1092606150.db2.gz LYBLZRRPRDGUFT-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208943796 1092606310 /nfs/dbraw/zinc/60/63/10/1092606310.db2.gz UXPQNONXMTVQPY-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208943796 1092606316 /nfs/dbraw/zinc/60/63/16/1092606316.db2.gz UXPQNONXMTVQPY-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208943796 1092606317 /nfs/dbraw/zinc/60/63/17/1092606317.db2.gz UXPQNONXMTVQPY-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP CC(C)OC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950875 1092608800 /nfs/dbraw/zinc/60/88/00/1092608800.db2.gz XIQGTBWVGINKAF-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208953619 1092609357 /nfs/dbraw/zinc/60/93/57/1092609357.db2.gz RDZDJDPQCFCRQT-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208953619 1092609361 /nfs/dbraw/zinc/60/93/61/1092609361.db2.gz RDZDJDPQCFCRQT-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208953619 1092609369 /nfs/dbraw/zinc/60/93/69/1092609369.db2.gz RDZDJDPQCFCRQT-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP CCN(CC[NH+](CC)CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949729 1092609458 /nfs/dbraw/zinc/60/94/58/1092609458.db2.gz OJVZSZQPJOBKBO-HXUWFJFHSA-N 2 1 317.521 3.172 20 0 DGADMP FC(F)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948773 1092610023 /nfs/dbraw/zinc/61/00/23/1092610023.db2.gz IHDNSWSEMOTKLS-IAGOWNOFSA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948773 1092610026 /nfs/dbraw/zinc/61/00/26/1092610026.db2.gz IHDNSWSEMOTKLS-IAGOWNOFSA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948773 1092610030 /nfs/dbraw/zinc/61/00/30/1092610030.db2.gz IHDNSWSEMOTKLS-IAGOWNOFSA-N 2 1 308.416 3.486 20 0 DGADMP CCN1CCC([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001169238904 1092611943 /nfs/dbraw/zinc/61/19/43/1092611943.db2.gz OBYKYFYLQOHFJW-UHFFFAOYSA-N 2 1 321.553 3.353 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3n[nH]cc32)CC1 ZINC001143101221 1092614029 /nfs/dbraw/zinc/61/40/29/1092614029.db2.gz BMSWYKHSNGMTSZ-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3C)C2)CC1 ZINC001169258247 1092620328 /nfs/dbraw/zinc/62/03/28/1092620328.db2.gz HONGKBFWMAIIFH-SFHVURJKSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3C)C2)CC1 ZINC001169258247 1092620331 /nfs/dbraw/zinc/62/03/31/1092620331.db2.gz HONGKBFWMAIIFH-SFHVURJKSA-N 2 1 302.462 3.323 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccc(C)cc1 ZINC001276609358 1092627902 /nfs/dbraw/zinc/62/79/02/1092627902.db2.gz BDXARTQVHVBGTJ-AYHJJNSGSA-N 2 1 310.445 3.100 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccc(C)cc1 ZINC001276609358 1092627909 /nfs/dbraw/zinc/62/79/09/1092627909.db2.gz BDXARTQVHVBGTJ-AYHJJNSGSA-N 2 1 310.445 3.100 20 0 DGADMP CCOC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209076514 1092643314 /nfs/dbraw/zinc/64/33/14/1092643314.db2.gz MZPJXPBSXVNJLM-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209076514 1092643317 /nfs/dbraw/zinc/64/33/17/1092643317.db2.gz MZPJXPBSXVNJLM-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209076514 1092643321 /nfs/dbraw/zinc/64/33/21/1092643321.db2.gz MZPJXPBSXVNJLM-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC001209114510 1092658418 /nfs/dbraw/zinc/65/84/18/1092658418.db2.gz NYHMNTLKEDVNFH-UHFFFAOYSA-N 2 1 310.844 3.439 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2ccc3c(c2)CCO3)CC1 ZINC001209145894 1092670468 /nfs/dbraw/zinc/67/04/68/1092670468.db2.gz RIXUQGRIMDNWJX-UHFFFAOYSA-N 2 1 316.489 3.216 20 0 DGADMP CC(=O)OC(C)(C)CCC[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209154826 1092674553 /nfs/dbraw/zinc/67/45/53/1092674553.db2.gz VMTBHAVUSZUKNI-UHFFFAOYSA-N 2 1 312.498 3.161 20 0 DGADMP CN(C)c1ccc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001276631346 1092731352 /nfs/dbraw/zinc/73/13/52/1092731352.db2.gz OYWXKVNYMKKEGO-KRWDZBQOSA-N 2 1 307.507 3.122 20 0 DGADMP CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)s1 ZINC001276631346 1092731360 /nfs/dbraw/zinc/73/13/60/1092731360.db2.gz OYWXKVNYMKKEGO-KRWDZBQOSA-N 2 1 307.507 3.122 20 0 DGADMP CN(C)c1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001276631346 1092731380 /nfs/dbraw/zinc/73/13/80/1092731380.db2.gz OYWXKVNYMKKEGO-KRWDZBQOSA-N 2 1 307.507 3.122 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2c1 ZINC001206632675 1092746590 /nfs/dbraw/zinc/74/65/90/1092746590.db2.gz NNCOFKVXAZNHRD-QGZVFWFLSA-N 2 1 311.473 3.467 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC001206633335 1092767606 /nfs/dbraw/zinc/76/76/06/1092767606.db2.gz WHDPDOFLMCZSJN-CYBMUJFWSA-N 2 1 316.367 3.275 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC001206633335 1092767613 /nfs/dbraw/zinc/76/76/13/1092767613.db2.gz WHDPDOFLMCZSJN-CYBMUJFWSA-N 2 1 316.367 3.275 20 0 DGADMP CCOC(=O)C1(C(C)C)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209452431 1092779237 /nfs/dbraw/zinc/77/92/37/1092779237.db2.gz OXDQKXPSJUYDGO-UHFFFAOYSA-N 2 1 324.509 3.164 20 0 DGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)C1(C)C ZINC001276653100 1092815523 /nfs/dbraw/zinc/81/55/23/1092815523.db2.gz FWLXCKJFQDLRET-FHWLQOOXSA-N 2 1 319.537 3.079 20 0 DGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)c1 ZINC001209563401 1092825981 /nfs/dbraw/zinc/82/59/81/1092825981.db2.gz ZUIIJLGRMCFRPM-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)c1 ZINC001209563401 1092825992 /nfs/dbraw/zinc/82/59/92/1092825992.db2.gz ZUIIJLGRMCFRPM-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001206640941 1092889556 /nfs/dbraw/zinc/88/95/56/1092889556.db2.gz PWFWFVNGTGUHRF-INIZCTEOSA-N 2 1 302.462 3.141 20 0 DGADMP Nc1cc[nH+]cc1C[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001209738326 1092897576 /nfs/dbraw/zinc/89/75/76/1092897576.db2.gz YKJRTPGFMCJCDI-UHFFFAOYSA-N 2 1 317.383 3.227 20 0 DGADMP Cc1cccc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)nc12 ZINC001210261951 1093100692 /nfs/dbraw/zinc/10/06/92/1093100692.db2.gz KSYOFIGCUHFCJW-UHFFFAOYSA-N 2 1 319.412 3.091 20 0 DGADMP CCCC[C@H](CC)CN1CC2(C1)C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001276695920 1093411491 /nfs/dbraw/zinc/41/14/91/1093411491.db2.gz IIZUKPIYMPCRBU-SFHVURJKSA-N 2 1 321.553 3.162 20 0 DGADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303393168 1093808737 /nfs/dbraw/zinc/80/87/37/1093808737.db2.gz JZKBIOVHSXUDSF-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303393168 1093808740 /nfs/dbraw/zinc/80/87/40/1093808740.db2.gz JZKBIOVHSXUDSF-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC001276723087 1093989957 /nfs/dbraw/zinc/98/99/57/1093989957.db2.gz CHXKUDOTLCPXDJ-UHFFFAOYSA-N 2 1 324.472 3.385 20 0 DGADMP CCc1cc([N@@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)ccc1N ZINC001216037799 1094110877 /nfs/dbraw/zinc/11/08/77/1094110877.db2.gz SAFGGVPCHOGLQV-UHFFFAOYSA-N 2 1 322.387 3.490 20 0 DGADMP CCc1cc([N@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)ccc1N ZINC001216037799 1094110881 /nfs/dbraw/zinc/11/08/81/1094110881.db2.gz SAFGGVPCHOGLQV-UHFFFAOYSA-N 2 1 322.387 3.490 20 0 DGADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCCC1 ZINC001276746595 1094253852 /nfs/dbraw/zinc/25/38/52/1094253852.db2.gz XWGKCMRENVGYHX-IHWFROFDSA-N 2 1 321.553 3.494 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCCC1 ZINC001276746595 1094253857 /nfs/dbraw/zinc/25/38/57/1094253857.db2.gz XWGKCMRENVGYHX-IHWFROFDSA-N 2 1 321.553 3.494 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCCC1 ZINC001276746595 1094253863 /nfs/dbraw/zinc/25/38/63/1094253863.db2.gz XWGKCMRENVGYHX-IHWFROFDSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2sc(C)nc2c1 ZINC001276747025 1094258273 /nfs/dbraw/zinc/25/82/73/1094258273.db2.gz WEKFPQMRYMIFQU-GOOCMWNKSA-N 2 1 301.459 3.320 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2sc(C)nc2c1 ZINC001276747025 1094258276 /nfs/dbraw/zinc/25/82/76/1094258276.db2.gz WEKFPQMRYMIFQU-GOOCMWNKSA-N 2 1 301.459 3.320 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001119987897 1094336651 /nfs/dbraw/zinc/33/66/51/1094336651.db2.gz BXNVVLSKPPQGHL-BBWFWOEESA-N 2 1 320.452 3.387 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC001120570279 1094458900 /nfs/dbraw/zinc/45/89/00/1094458900.db2.gz ROQAHQJNJYFKIN-OAHLLOKOSA-N 2 1 321.440 3.008 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](OCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217763158 1094491843 /nfs/dbraw/zinc/49/18/43/1094491843.db2.gz HNIXHEVXJJICAZ-HXUWFJFHSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCCCC[NH3+] ZINC001217769018 1094492463 /nfs/dbraw/zinc/49/24/63/1094492463.db2.gz JOEJJTXFIHWHBT-HKUYNNGSSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@H]1CC[C@H]([NH3+])CC1 ZINC001217769430 1094493172 /nfs/dbraw/zinc/49/31/72/1094493172.db2.gz RFGWYIXOWUTZBQ-LEAZDLGRSA-N 2 1 316.489 3.431 20 0 DGADMP CCCC[NH+](CCCC)CCCO[C@@H]1CC[NH2+]CC1(F)F ZINC001217784058 1094495543 /nfs/dbraw/zinc/49/55/43/1094495543.db2.gz YKHZSJVCAXOCDF-OAHLLOKOSA-N 2 1 306.441 3.293 20 0 DGADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOCC1 ZINC001170810147 1094497335 /nfs/dbraw/zinc/49/73/35/1094497335.db2.gz XIXVRQWTMWVUCS-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP [NH3+]CCCCOC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001217826665 1094501021 /nfs/dbraw/zinc/50/10/21/1094501021.db2.gz FWNOWXXCYPGKOY-UHFFFAOYSA-N 2 1 310.441 3.216 20 0 DGADMP CC(C)(C[NH3+])CO[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001217850004 1094504611 /nfs/dbraw/zinc/50/46/11/1094504611.db2.gz QHYLDALFYIWPAL-KRWDZBQOSA-N 2 1 304.478 3.289 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](OCCC2CC[NH2+]CC2)C1 ZINC001217912599 1094515366 /nfs/dbraw/zinc/51/53/66/1094515366.db2.gz RIKOXDZKEGQZQP-GOSISDBHSA-N 2 1 320.452 3.196 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@@H]3C[NH2+]CCC34CC4)C2)cc1 ZINC001217912778 1094515992 /nfs/dbraw/zinc/51/59/92/1094515992.db2.gz KIKWJAIZPFXCSL-RBUKOAKNSA-N 2 1 314.473 3.057 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc[nH+]c(N)n2)cc1 ZINC001120804459 1094528307 /nfs/dbraw/zinc/52/83/07/1094528307.db2.gz JWQSNNUPJKUASM-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]c(N)n2)cc1 ZINC001120804459 1094528314 /nfs/dbraw/zinc/52/83/14/1094528314.db2.gz JWQSNNUPJKUASM-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@@H]3CCCOCC3)CC1)C2 ZINC001170832531 1094604603 /nfs/dbraw/zinc/60/46/03/1094604603.db2.gz ZPWFGDRUFUHGNR-LJQANCHMSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@@H]3CCCOCC3)CC1)C2 ZINC001170832531 1094604609 /nfs/dbraw/zinc/60/46/09/1094604609.db2.gz ZPWFGDRUFUHGNR-LJQANCHMSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](Oc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001218176326 1094645057 /nfs/dbraw/zinc/64/50/57/1094645057.db2.gz GIIPFBDNSFSWFM-OAQYLSRUSA-N 2 1 322.452 3.376 20 0 DGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001336888714 1094774475 /nfs/dbraw/zinc/77/44/75/1094774475.db2.gz LEUNJAIRVNAYQI-OKZBNKHCSA-N 2 1 302.462 3.247 20 0 DGADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCC[C@@H](C)[NH3+])c12 ZINC001170890042 1094886114 /nfs/dbraw/zinc/88/61/14/1094886114.db2.gz RCNXIYXUMQVGGH-LLVKDONJSA-N 2 1 301.438 3.312 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218995274 1094921947 /nfs/dbraw/zinc/92/19/47/1094921947.db2.gz DWDZRQWVPLZBHC-KRWDZBQOSA-N 2 1 317.477 3.214 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1N ZINC000310406095 1094927899 /nfs/dbraw/zinc/92/78/99/1094927899.db2.gz LRJRQUONUFCLBX-ZIFCJYIRSA-N 2 1 322.456 3.295 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC000693115727 1094981227 /nfs/dbraw/zinc/98/12/27/1094981227.db2.gz IUIOZKKOXNIQHJ-SFHVURJKSA-N 2 1 322.452 3.233 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC000693115727 1094981238 /nfs/dbraw/zinc/98/12/38/1094981238.db2.gz IUIOZKKOXNIQHJ-SFHVURJKSA-N 2 1 322.452 3.233 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(OC)c(F)cc3F)(C1)CCC2 ZINC001276813404 1095096880 /nfs/dbraw/zinc/09/68/80/1095096880.db2.gz PCKZKUKJWDONHV-DLBZAZTESA-N 2 1 310.388 3.128 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171016982 1095136440 /nfs/dbraw/zinc/13/64/40/1095136440.db2.gz DEMPFWDPSAMAJQ-JONQDZQNSA-N 2 1 304.865 3.412 20 0 DGADMP Clc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001171024077 1095152690 /nfs/dbraw/zinc/15/26/90/1095152690.db2.gz INUZECDLTADCPA-HNNXBMFYSA-N 2 1 304.865 3.414 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246355210 1095247410 /nfs/dbraw/zinc/24/74/10/1095247410.db2.gz XVKBXTDHSHIPKA-XUJVJEKNSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246355209 1095247696 /nfs/dbraw/zinc/24/76/96/1095247696.db2.gz XVKBXTDHSHIPKA-TYNCELHUSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171072582 1095261357 /nfs/dbraw/zinc/26/13/57/1095261357.db2.gz KBPMUCPRXSNPER-GWCFXTLKSA-N 2 1 301.261 3.377 20 0 DGADMP COc1ncc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1C ZINC001137007448 1095281518 /nfs/dbraw/zinc/28/15/18/1095281518.db2.gz DQTGWFHIWFJYHP-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1C ZINC001137007448 1095281531 /nfs/dbraw/zinc/28/15/31/1095281531.db2.gz DQTGWFHIWFJYHP-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1C ZINC001137007448 1095281543 /nfs/dbraw/zinc/28/15/43/1095281543.db2.gz DQTGWFHIWFJYHP-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1C ZINC001137007448 1095281555 /nfs/dbraw/zinc/28/15/55/1095281555.db2.gz DQTGWFHIWFJYHP-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1C ZINC001137007448 1095281565 /nfs/dbraw/zinc/28/15/65/1095281565.db2.gz DQTGWFHIWFJYHP-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137031048 1095297370 /nfs/dbraw/zinc/29/73/70/1095297370.db2.gz ZWKHSIPFEBXUFO-SFHVURJKSA-N 2 1 310.397 3.074 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137031048 1095297388 /nfs/dbraw/zinc/29/73/88/1095297388.db2.gz ZWKHSIPFEBXUFO-SFHVURJKSA-N 2 1 310.397 3.074 20 0 DGADMP COc1ccc(Cl)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC001143895757 1095432460 /nfs/dbraw/zinc/43/24/60/1095432460.db2.gz GRHHEXMRSICOLK-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP C(c1n[nH]c2c1CCC2)[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222120376 1095443785 /nfs/dbraw/zinc/44/37/85/1095443785.db2.gz WTUGOAZVCKFGQW-UHFFFAOYSA-N 2 1 316.493 3.034 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141003 1095453106 /nfs/dbraw/zinc/45/31/06/1095453106.db2.gz BYLFNCRBIUDBAJ-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141003 1095453109 /nfs/dbraw/zinc/45/31/09/1095453109.db2.gz BYLFNCRBIUDBAJ-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154340 1095460271 /nfs/dbraw/zinc/46/02/71/1095460271.db2.gz KELJVHLHLKKYME-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154338 1095460620 /nfs/dbraw/zinc/46/06/20/1095460620.db2.gz KELJVHLHLKKYME-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP COc1ccc(CC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222154458 1095461408 /nfs/dbraw/zinc/46/14/08/1095461408.db2.gz MXHBDXWFFFYMBM-HXUWFJFHSA-N 2 1 316.489 3.484 20 0 DGADMP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222154122 1095461434 /nfs/dbraw/zinc/46/14/34/1095461434.db2.gz FSHFYJUINDMXTG-LJQANCHMSA-N 2 1 317.452 3.001 20 0 DGADMP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222154122 1095461439 /nfs/dbraw/zinc/46/14/39/1095461439.db2.gz FSHFYJUINDMXTG-LJQANCHMSA-N 2 1 317.452 3.001 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1COC2 ZINC001222160650 1095467704 /nfs/dbraw/zinc/46/77/04/1095467704.db2.gz HUPLUAJDQNPEGA-FQEVSTJZSA-N 2 1 314.473 3.463 20 0 DGADMP c1c2ccncc2[nH]c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166824 1095470907 /nfs/dbraw/zinc/47/09/07/1095470907.db2.gz CRMLPZPRVIVVCJ-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1c2ccncc2[nH]c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166824 1095470913 /nfs/dbraw/zinc/47/09/13/1095470913.db2.gz CRMLPZPRVIVVCJ-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222166895 1095471505 /nfs/dbraw/zinc/47/15/05/1095471505.db2.gz FHFYPFRAYCIJEW-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222166895 1095471507 /nfs/dbraw/zinc/47/15/07/1095471507.db2.gz FHFYPFRAYCIJEW-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP COCc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)o1 ZINC001222167897 1095473203 /nfs/dbraw/zinc/47/32/03/1095473203.db2.gz UTBJVTOLMBGGRR-SFHVURJKSA-N 2 1 306.450 3.172 20 0 DGADMP COCc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)o1 ZINC001222167897 1095473212 /nfs/dbraw/zinc/47/32/12/1095473212.db2.gz UTBJVTOLMBGGRR-SFHVURJKSA-N 2 1 306.450 3.172 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c1)OCO2 ZINC001222168112 1095474580 /nfs/dbraw/zinc/47/45/80/1095474580.db2.gz UYWKWGJJANIXJM-IBGZPJMESA-N 2 1 316.445 3.161 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c1)OCO2 ZINC001222168112 1095474585 /nfs/dbraw/zinc/47/45/85/1095474585.db2.gz UYWKWGJJANIXJM-IBGZPJMESA-N 2 1 316.445 3.161 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168184 1095475624 /nfs/dbraw/zinc/47/56/24/1095475624.db2.gz WTLIELFLVRPKOK-FQEVSTJZSA-N 2 1 315.505 3.498 20 0 DGADMP C[C@H](C[N@H+]1CCOC2(CC[NH2+]CC2)C1)c1cccc2ccccc21 ZINC001222181509 1095480154 /nfs/dbraw/zinc/48/01/54/1095480154.db2.gz LGEFGZQWNRQKKJ-QGZVFWFLSA-N 2 1 324.468 3.398 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC001144026784 1095480302 /nfs/dbraw/zinc/48/03/02/1095480302.db2.gz PVXDQEYDFBHYAR-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)CCc1ccc(F)cc1 ZINC001339064307 1095483513 /nfs/dbraw/zinc/48/35/13/1095483513.db2.gz ZGLGDSCZJOBWBU-UHFFFAOYSA-N 2 1 324.359 3.286 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC001222230599 1095502304 /nfs/dbraw/zinc/50/23/04/1095502304.db2.gz BHWAKMBONAPEBS-HXUWFJFHSA-N 2 1 313.489 3.121 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC001116291801 1095505323 /nfs/dbraw/zinc/50/53/23/1095505323.db2.gz WGIJHMNHKYHDSP-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222259060 1095514580 /nfs/dbraw/zinc/51/45/80/1095514580.db2.gz JKQINEGHYLRTJD-LJQANCHMSA-N 2 1 302.462 3.093 20 0 DGADMP Fc1cccc2[nH]cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c21 ZINC001222264702 1095519719 /nfs/dbraw/zinc/51/97/19/1095519719.db2.gz GMAIANHVXJCDRM-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1cccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c21 ZINC001222264702 1095519731 /nfs/dbraw/zinc/51/97/31/1095519731.db2.gz GMAIANHVXJCDRM-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2)n[nH]1 ZINC001222277660 1095526218 /nfs/dbraw/zinc/52/62/18/1095526218.db2.gz QEUAVBYXJUXQTF-LJQANCHMSA-N 2 1 310.445 3.042 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(CC)c(O)c(CC)c3)C[C@H]2C1 ZINC001144150125 1095537144 /nfs/dbraw/zinc/53/71/44/1095537144.db2.gz UUANXPUTCXHNEZ-RTBURBONSA-N 2 1 316.489 3.291 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c(C)c1 ZINC001222298509 1095537191 /nfs/dbraw/zinc/53/71/91/1095537191.db2.gz XIHOKLURKGSNGX-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP Fc1cc(F)c(CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222310923 1095543874 /nfs/dbraw/zinc/54/38/74/1095543874.db2.gz YUXOQLLKEGFEKS-KRWDZBQOSA-N 2 1 312.379 3.255 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222314871 1095545341 /nfs/dbraw/zinc/54/53/41/1095545341.db2.gz JUJGBWMLUOBFLY-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222314871 1095545354 /nfs/dbraw/zinc/54/53/54/1095545354.db2.gz JUJGBWMLUOBFLY-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP FC1(F)Oc2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)cc2O1 ZINC001222315557 1095546415 /nfs/dbraw/zinc/54/64/15/1095546415.db2.gz OJZGOZFVRNSGMC-INIZCTEOSA-N 2 1 324.371 3.116 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320943 1095551461 /nfs/dbraw/zinc/55/14/61/1095551461.db2.gz OPRYODYJJFUCRW-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320943 1095551470 /nfs/dbraw/zinc/55/14/70/1095551470.db2.gz OPRYODYJJFUCRW-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP FC(F)(F)c1ccc(CCC[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335511 1095557263 /nfs/dbraw/zinc/55/72/63/1095557263.db2.gz RXHYFNONGAZZCF-UHFFFAOYSA-N 2 1 312.379 3.323 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347222 1095566945 /nfs/dbraw/zinc/56/69/45/1095566945.db2.gz ZMMALRNPBVYNPU-LJQANCHMSA-N 2 1 324.509 3.498 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347222 1095566954 /nfs/dbraw/zinc/56/69/54/1095566954.db2.gz ZMMALRNPBVYNPU-LJQANCHMSA-N 2 1 324.509 3.498 20 0 DGADMP C[NH+]1CCC(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001222508973 1095645055 /nfs/dbraw/zinc/64/50/55/1095645055.db2.gz GWTMPNQSJVUULR-KRWDZBQOSA-N 2 1 308.853 3.025 20 0 DGADMP c1c2ccccc2[nH]c1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602032 1095686711 /nfs/dbraw/zinc/68/67/11/1095686711.db2.gz GLXPVDUZADAHIR-LJQANCHMSA-N 2 1 317.436 3.357 20 0 DGADMP c1c2ccccc2[nH]c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602032 1095686720 /nfs/dbraw/zinc/68/67/20/1095686720.db2.gz GLXPVDUZADAHIR-LJQANCHMSA-N 2 1 317.436 3.357 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(C)c1O ZINC001222602278 1095686926 /nfs/dbraw/zinc/68/69/26/1095686926.db2.gz MLQCPOVXYXKDDV-LJQANCHMSA-N 2 1 322.452 3.198 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1C ZINC001222602049 1095688019 /nfs/dbraw/zinc/68/80/19/1095688019.db2.gz GPYKMVBEZCHISG-FQEVSTJZSA-N 2 1 306.453 3.492 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222623482 1095698711 /nfs/dbraw/zinc/69/87/11/1095698711.db2.gz LEUVTDBDDBGWAG-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(C)C ZINC001222629816 1095700693 /nfs/dbraw/zinc/70/06/93/1095700693.db2.gz QJPOAQPLXQULRX-HDICACEKSA-N 2 1 302.462 3.214 20 0 DGADMP CCCCc1nc(Cl)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)[nH]1 ZINC001276837076 1095749756 /nfs/dbraw/zinc/74/97/56/1095749756.db2.gz DNKPKHJWVVJRBR-UHFFFAOYSA-N 2 1 324.900 3.323 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC001246588126 1095801472 /nfs/dbraw/zinc/80/14/72/1095801472.db2.gz WDCBXHWJKVDNMA-LSDHHAIUSA-N 2 1 311.267 3.412 20 0 DGADMP [NH3+]CC1CCC([NH2+]CC(F)(F)c2cc(F)cc(F)c2)CC1 ZINC001340063414 1095844757 /nfs/dbraw/zinc/84/47/57/1095844757.db2.gz KVDDGFFTRYBXFS-UHFFFAOYSA-N 2 1 304.331 3.164 20 0 DGADMP C[NH2+]CCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001340155894 1095886963 /nfs/dbraw/zinc/88/69/63/1095886963.db2.gz VNXXRLGDZAPVSF-INIZCTEOSA-N 2 1 317.477 3.247 20 0 DGADMP CC(C)(C)c1ccc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c1 ZINC001160748276 1095910163 /nfs/dbraw/zinc/91/01/63/1095910163.db2.gz SOYVXTIIYFHAHY-RYUDHWBXSA-N 2 1 301.356 3.331 20 0 DGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171246969 1095914906 /nfs/dbraw/zinc/91/49/06/1095914906.db2.gz IWPVBLXQWLQTLS-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC001340517719 1095967913 /nfs/dbraw/zinc/96/79/13/1095967913.db2.gz VRRHTSNMMNSKBD-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC001340517719 1095967917 /nfs/dbraw/zinc/96/79/17/1095967917.db2.gz VRRHTSNMMNSKBD-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@@H]1CCc2cccc(Br)c2C1 ZINC001246833964 1096004440 /nfs/dbraw/zinc/00/44/40/1096004440.db2.gz SDYDCNXCNQOAIJ-UONOGXRCSA-N 2 1 323.278 3.120 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930785 1096107847 /nfs/dbraw/zinc/10/78/47/1096107847.db2.gz PLPOLRCASDRQAE-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930785 1096107851 /nfs/dbraw/zinc/10/78/51/1096107851.db2.gz PLPOLRCASDRQAE-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171292040 1096135059 /nfs/dbraw/zinc/13/50/59/1096135059.db2.gz IUQRJOLCCKTXNQ-CQSZACIVSA-N 2 1 322.880 3.280 20 0 DGADMP C[NH+](C)CC[C@@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224130868 1096141385 /nfs/dbraw/zinc/14/13/85/1096141385.db2.gz LIXYEKVKKJHBDW-FCGDIQPGSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCCC[NH+]1C ZINC001224701406 1096266269 /nfs/dbraw/zinc/26/62/69/1096266269.db2.gz FPMYDPYKALPXAE-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCCC[N@@H+]1C ZINC001224701406 1096266273 /nfs/dbraw/zinc/26/62/73/1096266273.db2.gz FPMYDPYKALPXAE-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224701406 1096266276 /nfs/dbraw/zinc/26/62/76/1096266276.db2.gz FPMYDPYKALPXAE-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001224703160 1096266595 /nfs/dbraw/zinc/26/65/95/1096266595.db2.gz QRFZTYRMCJCVPG-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[NH+]1C ZINC001224816774 1096291315 /nfs/dbraw/zinc/29/13/15/1096291315.db2.gz AFJMQMTXDRBCIZ-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224816774 1096291324 /nfs/dbraw/zinc/29/13/24/1096291324.db2.gz AFJMQMTXDRBCIZ-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224816774 1096291332 /nfs/dbraw/zinc/29/13/32/1096291332.db2.gz AFJMQMTXDRBCIZ-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[NH+]1C ZINC001224816776 1096291371 /nfs/dbraw/zinc/29/13/71/1096291371.db2.gz AFJMQMTXDRBCIZ-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224816776 1096291379 /nfs/dbraw/zinc/29/13/79/1096291379.db2.gz AFJMQMTXDRBCIZ-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224816776 1096291385 /nfs/dbraw/zinc/29/13/85/1096291385.db2.gz AFJMQMTXDRBCIZ-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832115 1096296611 /nfs/dbraw/zinc/29/66/11/1096296611.db2.gz TUTXXPLUXNDBDF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224832115 1096296617 /nfs/dbraw/zinc/29/66/17/1096296617.db2.gz TUTXXPLUXNDBDF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224832115 1096296624 /nfs/dbraw/zinc/29/66/24/1096296624.db2.gz TUTXXPLUXNDBDF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001224925828 1096315322 /nfs/dbraw/zinc/31/53/22/1096315322.db2.gz UXGOFZXBKAIUEA-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171345736 1096494795 /nfs/dbraw/zinc/49/47/95/1096494795.db2.gz MUOPRMPHQWVFLN-HNNXBMFYSA-N 2 1 306.400 3.039 20 0 DGADMP Cc1cc(N2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cc[nH+]1 ZINC001277063892 1096502462 /nfs/dbraw/zinc/50/24/62/1096502462.db2.gz BAFLXSHMIVILRY-LJQANCHMSA-N 2 1 310.445 3.211 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)CC1 ZINC001171388559 1096638435 /nfs/dbraw/zinc/63/84/35/1096638435.db2.gz OBAUXJMXTWVFMD-MRXNPFEDSA-N 2 1 320.427 3.240 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)[C@H](C)C1 ZINC001171419911 1096717130 /nfs/dbraw/zinc/71/71/30/1096717130.db2.gz WYXVCHQDWSFTHQ-ALKREAHSSA-N 2 1 304.453 3.391 20 0 DGADMP Nc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001226653324 1096743582 /nfs/dbraw/zinc/74/35/82/1096743582.db2.gz HBZPUYHAKBPEHT-ALXJQNPVSA-N 2 1 309.413 3.238 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[nH+]c(N)c1 ZINC001226657011 1096743901 /nfs/dbraw/zinc/74/39/01/1096743901.db2.gz NNXPBLFGAOGBFY-KRWDZBQOSA-N 2 1 311.429 3.343 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171454241 1096887742 /nfs/dbraw/zinc/88/77/42/1096887742.db2.gz RTADAQMHSXVGIJ-BBRMVZONSA-N 2 1 308.416 3.144 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171505026 1096913908 /nfs/dbraw/zinc/91/39/08/1096913908.db2.gz FDNPFZSNICFRBS-CYBMUJFWSA-N 2 1 312.379 3.035 20 0 DGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171512013 1096915147 /nfs/dbraw/zinc/91/51/47/1096915147.db2.gz MTOMRIWLSVJQFM-BPCQOVAHSA-N 2 1 312.379 3.163 20 0 DGADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554855 1096921763 /nfs/dbraw/zinc/92/17/63/1096921763.db2.gz PYTOGWCBLYGFEA-PKOBYXMFSA-N 2 1 317.477 3.189 20 0 DGADMP COC(=O)c1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619048 1096935441 /nfs/dbraw/zinc/93/54/41/1096935441.db2.gz FTSGNEIWGATXHC-UHFFFAOYSA-N 2 1 318.461 3.214 20 0 DGADMP CC1CC[NH+](CCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171618783 1096935646 /nfs/dbraw/zinc/93/56/46/1096935646.db2.gz CAHWUKGDXLFGSR-UHFFFAOYSA-N 3 1 309.542 3.349 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2COCc3ccccc32)CC1(C)C ZINC001171624562 1096937559 /nfs/dbraw/zinc/93/75/59/1096937559.db2.gz WNFIOHQPERCJGF-KRWDZBQOSA-N 2 1 302.462 3.499 20 0 DGADMP CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637400 1096948424 /nfs/dbraw/zinc/94/84/24/1096948424.db2.gz MCDPUOAMXQJYKS-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637400 1096948429 /nfs/dbraw/zinc/94/84/29/1096948429.db2.gz MCDPUOAMXQJYKS-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)CC1(C)C ZINC001171641028 1096949383 /nfs/dbraw/zinc/94/93/83/1096949383.db2.gz ARHDMNNWLJGGIH-MRXNPFEDSA-N 2 1 316.436 3.138 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733009 1096957866 /nfs/dbraw/zinc/95/78/66/1096957866.db2.gz HEZJYWYNMXIWOK-NZSAHSFTSA-N 2 1 321.468 3.212 20 0 DGADMP C[NH2+]Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001171758636 1096963009 /nfs/dbraw/zinc/96/30/09/1096963009.db2.gz ZMMAVIKMFNZHLJ-OXJNMPFZSA-N 2 1 309.457 3.481 20 0 DGADMP C[C@@H]1C[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001171759293 1096963749 /nfs/dbraw/zinc/96/37/49/1096963749.db2.gz IKIADHFLRCEJFR-QRQLOZEOSA-N 2 1 324.472 3.186 20 0 DGADMP C[NH2+]Cc1cccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171759389 1096964010 /nfs/dbraw/zinc/96/40/10/1096964010.db2.gz JFRBBKZNVKSGON-UZLBHIALSA-N 2 1 309.457 3.481 20 0 DGADMP C[C@H]1C[C@@H](Nc2ccc(C[NH3+])c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171739402 1096971731 /nfs/dbraw/zinc/97/17/31/1096971731.db2.gz CTVKROYHTYKHBG-KBXCAEBGSA-N 2 1 313.420 3.359 20 0 DGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171820792 1096975093 /nfs/dbraw/zinc/97/50/93/1096975093.db2.gz GZBILTDETIGYRB-INIZCTEOSA-N 2 1 322.497 3.036 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171812372 1096985060 /nfs/dbraw/zinc/98/50/60/1096985060.db2.gz OZVMCBATGNYPCW-KRWDZBQOSA-N 2 1 304.453 3.489 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171910564 1097000260 /nfs/dbraw/zinc/00/02/60/1097000260.db2.gz RCJSURPMANQPIJ-BOXKHOIUSA-N 2 1 322.493 3.102 20 0 DGADMP CCOC(=O)C1(C)CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001171956568 1097004940 /nfs/dbraw/zinc/00/49/40/1097004940.db2.gz GDTZHRLIEHWQHW-UHFFFAOYSA-N 2 1 319.449 3.035 20 0 DGADMP CC1(C)C[C@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171963710 1097005897 /nfs/dbraw/zinc/00/58/97/1097005897.db2.gz FBAJIFJMAFTFGD-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)C[C@H](n2cncc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171964761 1097006298 /nfs/dbraw/zinc/00/62/98/1097006298.db2.gz MXYSBVOAHWKBQL-QGZVFWFLSA-N 2 1 312.461 3.000 20 0 DGADMP CN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962048 1097006344 /nfs/dbraw/zinc/00/63/44/1097006344.db2.gz BCZUZGUTDZMVPP-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+]1CCC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962048 1097006350 /nfs/dbraw/zinc/00/63/50/1097006350.db2.gz BCZUZGUTDZMVPP-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+]1CCC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962048 1097006357 /nfs/dbraw/zinc/00/63/57/1097006357.db2.gz BCZUZGUTDZMVPP-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962048 1097006362 /nfs/dbraw/zinc/00/63/62/1097006362.db2.gz BCZUZGUTDZMVPP-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962048 1097006369 /nfs/dbraw/zinc/00/63/69/1097006369.db2.gz BCZUZGUTDZMVPP-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970047 1097020505 /nfs/dbraw/zinc/02/05/05/1097020505.db2.gz XOGYWUQLQMUKTC-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970047 1097020510 /nfs/dbraw/zinc/02/05/10/1097020510.db2.gz XOGYWUQLQMUKTC-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970047 1097020514 /nfs/dbraw/zinc/02/05/14/1097020514.db2.gz XOGYWUQLQMUKTC-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970047 1097020516 /nfs/dbraw/zinc/02/05/16/1097020516.db2.gz XOGYWUQLQMUKTC-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970047 1097020521 /nfs/dbraw/zinc/02/05/21/1097020521.db2.gz XOGYWUQLQMUKTC-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171972500 1097021137 /nfs/dbraw/zinc/02/11/37/1097021137.db2.gz QHCSSZVZKXUPMB-QRVBRYPASA-N 2 1 316.489 3.323 20 0 DGADMP CC1(C)C[C@H](n2ccc(CC[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC001171972835 1097021281 /nfs/dbraw/zinc/02/12/81/1097021281.db2.gz SWFHQJMHKBMGTQ-GOSISDBHSA-N 2 1 312.461 3.000 20 0 DGADMP CCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971671 1097022162 /nfs/dbraw/zinc/02/21/62/1097022162.db2.gz JEHUPINHJIOTIP-SFHVURJKSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@H](CO)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974498 1097023079 /nfs/dbraw/zinc/02/30/79/1097023079.db2.gz HFAUBUXBCQHWSG-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1COCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976097 1097023279 /nfs/dbraw/zinc/02/32/79/1097023279.db2.gz IAFMAYJVZKGWMK-PKOBYXMFSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1COCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976097 1097023283 /nfs/dbraw/zinc/02/32/83/1097023283.db2.gz IAFMAYJVZKGWMK-PKOBYXMFSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1COCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976097 1097023288 /nfs/dbraw/zinc/02/32/88/1097023288.db2.gz IAFMAYJVZKGWMK-PKOBYXMFSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1COCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976097 1097023290 /nfs/dbraw/zinc/02/32/90/1097023290.db2.gz IAFMAYJVZKGWMK-PKOBYXMFSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976997 1097024479 /nfs/dbraw/zinc/02/44/79/1097024479.db2.gz PLHHGSCPCSMTIW-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976997 1097024483 /nfs/dbraw/zinc/02/44/83/1097024483.db2.gz PLHHGSCPCSMTIW-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976997 1097024488 /nfs/dbraw/zinc/02/44/88/1097024488.db2.gz PLHHGSCPCSMTIW-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976997 1097024492 /nfs/dbraw/zinc/02/44/92/1097024492.db2.gz PLHHGSCPCSMTIW-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP CC1(O)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976744 1097025274 /nfs/dbraw/zinc/02/52/74/1097025274.db2.gz NEUQWQNBFPBYMG-GOSISDBHSA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976521 1097026543 /nfs/dbraw/zinc/02/65/43/1097026543.db2.gz SJLYNQWFVAIHAZ-OALUTQOASA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC3(CSC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985929 1097029872 /nfs/dbraw/zinc/02/98/72/1097029872.db2.gz CZOWPJVSRBBMMU-QGZVFWFLSA-N 2 1 316.514 3.478 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC3(CSC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985929 1097029875 /nfs/dbraw/zinc/02/98/75/1097029875.db2.gz CZOWPJVSRBBMMU-QGZVFWFLSA-N 2 1 316.514 3.478 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC001172070934 1097037066 /nfs/dbraw/zinc/03/70/66/1097037066.db2.gz SWRUPYFKPLIIOR-OQIJWPOYSA-N 2 1 316.489 3.321 20 0 DGADMP CN(CC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076728 1097037529 /nfs/dbraw/zinc/03/75/29/1097037529.db2.gz HAWUCQSZXNJFNH-ACDBMABISA-N 2 1 315.505 3.066 20 0 DGADMP C[N@H+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074087 1097037643 /nfs/dbraw/zinc/03/76/43/1097037643.db2.gz FOHRFXTTXZAFPD-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074087 1097037649 /nfs/dbraw/zinc/03/76/49/1097037649.db2.gz FOHRFXTTXZAFPD-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074087 1097037655 /nfs/dbraw/zinc/03/76/55/1097037655.db2.gz FOHRFXTTXZAFPD-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074087 1097037659 /nfs/dbraw/zinc/03/76/59/1097037659.db2.gz FOHRFXTTXZAFPD-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@@H]1F ZINC001206156933 1097040026 /nfs/dbraw/zinc/04/00/26/1097040026.db2.gz UHZNBTPNRZJVAQ-UONOGXRCSA-N 2 1 305.224 3.297 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)CC[C@@H]1F ZINC001206156933 1097040033 /nfs/dbraw/zinc/04/00/33/1097040033.db2.gz UHZNBTPNRZJVAQ-UONOGXRCSA-N 2 1 305.224 3.297 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCCC1)C2 ZINC001172100535 1097041731 /nfs/dbraw/zinc/04/17/31/1097041731.db2.gz DQCCRJPKFNEALW-LDLYASANSA-N 2 1 313.489 3.392 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2ccnnc2)C3)cc1 ZINC001172063899 1097042108 /nfs/dbraw/zinc/04/21/08/1097042108.db2.gz DWYPEFNIGZNPGL-OWZKRDHZSA-N 2 1 322.456 3.152 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2ccnnc2)C3)cc1 ZINC001172063899 1097042113 /nfs/dbraw/zinc/04/21/13/1097042113.db2.gz DWYPEFNIGZNPGL-OWZKRDHZSA-N 2 1 322.456 3.152 20 0 DGADMP O[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063855 1097042834 /nfs/dbraw/zinc/04/28/34/1097042834.db2.gz DEPUNUQBXRSUOO-IVDHNXQLSA-N 2 1 314.473 3.075 20 0 DGADMP [NH3+]Cc1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172066463 1097043500 /nfs/dbraw/zinc/04/35/00/1097043500.db2.gz XGKFJKITLMOVMG-REPLKXPHSA-N 2 1 310.445 3.100 20 0 DGADMP C[C@@]1(O)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068818 1097045159 /nfs/dbraw/zinc/04/51/59/1097045159.db2.gz LDOIRHWEIWIYBT-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068818 1097045167 /nfs/dbraw/zinc/04/51/67/1097045167.db2.gz LDOIRHWEIWIYBT-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068818 1097045174 /nfs/dbraw/zinc/04/51/74/1097045174.db2.gz LDOIRHWEIWIYBT-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068818 1097045178 /nfs/dbraw/zinc/04/51/78/1097045178.db2.gz LDOIRHWEIWIYBT-FUMNGEBKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069513 1097046628 /nfs/dbraw/zinc/04/66/28/1097046628.db2.gz QSLKOYCAAXKPMD-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069513 1097046633 /nfs/dbraw/zinc/04/66/33/1097046633.db2.gz QSLKOYCAAXKPMD-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069513 1097046642 /nfs/dbraw/zinc/04/66/42/1097046642.db2.gz QSLKOYCAAXKPMD-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069513 1097046646 /nfs/dbraw/zinc/04/66/46/1097046646.db2.gz QSLKOYCAAXKPMD-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCC(=O)CC3)CC1)C2 ZINC001172127413 1097047646 /nfs/dbraw/zinc/04/76/46/1097047646.db2.gz IRESXAGBBGCWBB-FVQHAEBGSA-N 2 1 304.478 3.227 20 0 DGADMP C[C@H]1C(=O)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C12CCCC2 ZINC001172129887 1097049371 /nfs/dbraw/zinc/04/93/71/1097049371.db2.gz DTCOBVGBWDXXNM-NXOAAHMSSA-N 2 1 304.478 3.225 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172129958 1097049841 /nfs/dbraw/zinc/04/98/41/1097049841.db2.gz FRVFHTZVQRQNOL-BJWYYQGGSA-N 2 1 316.445 3.253 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129958 1097049846 /nfs/dbraw/zinc/04/98/46/1097049846.db2.gz FRVFHTZVQRQNOL-BJWYYQGGSA-N 2 1 316.445 3.253 20 0 DGADMP CC[NH+](Cc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129958 1097049859 /nfs/dbraw/zinc/04/98/59/1097049859.db2.gz FRVFHTZVQRQNOL-BJWYYQGGSA-N 2 1 316.445 3.253 20 0 DGADMP CCOC(=O)CCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104152 1097052347 /nfs/dbraw/zinc/05/23/47/1097052347.db2.gz DDAIRMQHGNZORN-OSYLJGHBSA-N 2 1 310.482 3.105 20 0 DGADMP COc1cccc([C@@H](C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108669 1097054052 /nfs/dbraw/zinc/05/40/52/1097054052.db2.gz CTQMXRIAKRXPAD-OWLYRPNTSA-N 2 1 302.462 3.404 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001172109497 1097056360 /nfs/dbraw/zinc/05/63/60/1097056360.db2.gz HHHYEQNAZVSQGH-BCDXTJNWSA-N 2 1 311.429 3.447 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3ccccc3)cn1)C2 ZINC001172110593 1097056409 /nfs/dbraw/zinc/05/64/09/1097056409.db2.gz KTTZJQVQSUCQHB-VJDPLVQDSA-N 2 1 324.472 3.036 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3ccccc3)cn1)C2 ZINC001172110593 1097056414 /nfs/dbraw/zinc/05/64/14/1097056414.db2.gz KTTZJQVQSUCQHB-VJDPLVQDSA-N 2 1 324.472 3.036 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccnc1C(F)(F)F)C2 ZINC001172111055 1097057573 /nfs/dbraw/zinc/05/75/73/1097057573.db2.gz QAFXEGHXMAHFRJ-BTTYYORXSA-N 2 1 313.367 3.205 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172112840 1097058233 /nfs/dbraw/zinc/05/82/33/1097058233.db2.gz ANIOPVOWKYPEJN-KRXQYRFLSA-N 2 1 316.445 3.124 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CC3CCC3)CCOCC1)C2 ZINC001172112671 1097058830 /nfs/dbraw/zinc/05/88/30/1097058830.db2.gz YZGBYPLRKNBIAR-NNZMDNLPSA-N 2 1 306.494 3.331 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CC3CCC3)CCOCC1)C2 ZINC001172112671 1097058835 /nfs/dbraw/zinc/05/88/35/1097058835.db2.gz YZGBYPLRKNBIAR-NNZMDNLPSA-N 2 1 306.494 3.331 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1([C@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112883 1097059116 /nfs/dbraw/zinc/05/91/16/1097059116.db2.gz GMGGJONRODXFQV-NXOAAHMSSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1([C@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112883 1097059123 /nfs/dbraw/zinc/05/91/23/1097059123.db2.gz GMGGJONRODXFQV-NXOAAHMSSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1(O)CCC1)C2 ZINC001172113342 1097059530 /nfs/dbraw/zinc/05/95/30/1097059530.db2.gz CHJRLCDMMDAXJV-OKYOBFRVSA-N 2 1 314.473 3.248 20 0 DGADMP CSc1ccccc1OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118903 1097064485 /nfs/dbraw/zinc/06/44/85/1097064485.db2.gz UGCZRUZIJJFQFS-PHZGNYQRSA-N 2 1 320.502 3.392 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3c3c1CC[NH2+]C3)C2 ZINC001172121142 1097065193 /nfs/dbraw/zinc/06/51/93/1097065193.db2.gz IDOLRUAUVUZVDN-ZSHCYNCHSA-N 2 1 309.457 3.475 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121145 1097065239 /nfs/dbraw/zinc/06/52/39/1097065239.db2.gz IDRQLJXTECNJTM-VUHPKUFZSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121145 1097065246 /nfs/dbraw/zinc/06/52/46/1097065246.db2.gz IDRQLJXTECNJTM-VUHPKUFZSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121145 1097065251 /nfs/dbraw/zinc/06/52/51/1097065251.db2.gz IDRQLJXTECNJTM-VUHPKUFZSA-N 2 1 318.436 3.294 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172220331 1097079502 /nfs/dbraw/zinc/07/95/02/1097079502.db2.gz BHBLLXJZUOXCPS-LJRDSGNISA-N 2 1 314.473 3.469 20 0 DGADMP CC1([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[NH+](Cc2ccccc2)CC1 ZINC001172236317 1097088413 /nfs/dbraw/zinc/08/84/13/1097088413.db2.gz IKQQIIIDRBYODB-YQQQUEKLSA-N 2 1 312.457 3.117 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)C1CC[NH+](CCCOC)CC1 ZINC001172253482 1097091505 /nfs/dbraw/zinc/09/15/05/1097091505.db2.gz QZRMAAJTINWVTL-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)C1CC[NH+](CCCOC)CC1 ZINC001172253482 1097091512 /nfs/dbraw/zinc/09/15/12/1097091512.db2.gz QZRMAAJTINWVTL-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001172253251 1097092462 /nfs/dbraw/zinc/09/24/62/1097092462.db2.gz IDYOPVOFVCQPHQ-QGZVFWFLSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001172253251 1097092467 /nfs/dbraw/zinc/09/24/67/1097092467.db2.gz IDYOPVOFVCQPHQ-QGZVFWFLSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001172256709 1097094204 /nfs/dbraw/zinc/09/42/04/1097094204.db2.gz DAAOCPYIXCNWNK-LJQANCHMSA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001172256709 1097094210 /nfs/dbraw/zinc/09/42/10/1097094210.db2.gz DAAOCPYIXCNWNK-LJQANCHMSA-N 2 1 302.462 3.107 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172281301 1097102448 /nfs/dbraw/zinc/10/24/48/1097102448.db2.gz SIOOHICTFNYORV-KZNAEPCWSA-N 2 1 302.462 3.326 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1F ZINC001206164009 1097114955 /nfs/dbraw/zinc/11/49/55/1097114955.db2.gz IOJBMFILXNXVKS-GJZGRUSLSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1F ZINC001206164009 1097114958 /nfs/dbraw/zinc/11/49/58/1097114958.db2.gz IOJBMFILXNXVKS-GJZGRUSLSA-N 2 1 305.422 3.071 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC001172359527 1097124883 /nfs/dbraw/zinc/12/48/83/1097124883.db2.gz JYPZGUVLCGBYLG-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172423214 1097135951 /nfs/dbraw/zinc/13/59/51/1097135951.db2.gz KDJARUSYZQPBFY-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172423214 1097135954 /nfs/dbraw/zinc/13/59/54/1097135954.db2.gz KDJARUSYZQPBFY-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP CCc1cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc(CC)c1O ZINC001228556911 1097141528 /nfs/dbraw/zinc/14/15/28/1097141528.db2.gz SZXQTEKJSRQDTD-UHFFFAOYSA-N 2 1 302.462 3.235 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172394716 1097143937 /nfs/dbraw/zinc/14/39/37/1097143937.db2.gz YVYPRPFTANJLBS-AABGKKOBSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172394716 1097143938 /nfs/dbraw/zinc/14/39/38/1097143938.db2.gz YVYPRPFTANJLBS-AABGKKOBSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172446125 1097157310 /nfs/dbraw/zinc/15/73/10/1097157310.db2.gz IGCRHUMIFLMGIU-ULQDDVLXSA-N 2 1 322.518 3.315 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324752 1097177699 /nfs/dbraw/zinc/17/76/99/1097177699.db2.gz SQKZKBZVRQIWTI-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324752 1097177702 /nfs/dbraw/zinc/17/77/02/1097177702.db2.gz SQKZKBZVRQIWTI-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324752 1097177705 /nfs/dbraw/zinc/17/77/05/1097177705.db2.gz SQKZKBZVRQIWTI-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324752 1097177709 /nfs/dbraw/zinc/17/77/09/1097177709.db2.gz SQKZKBZVRQIWTI-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172628576 1097199485 /nfs/dbraw/zinc/19/94/85/1097199485.db2.gz KLOCFHFTJJIBCP-XMTFNYHQSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172628576 1097199488 /nfs/dbraw/zinc/19/94/88/1097199488.db2.gz KLOCFHFTJJIBCP-XMTFNYHQSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172628576 1097199490 /nfs/dbraw/zinc/19/94/90/1097199490.db2.gz KLOCFHFTJJIBCP-XMTFNYHQSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001172767669 1097235602 /nfs/dbraw/zinc/23/56/02/1097235602.db2.gz JMANQEKFNLTPAR-DOTOQJQBSA-N 2 1 310.482 3.092 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)CC2 ZINC001172829188 1097249631 /nfs/dbraw/zinc/24/96/31/1097249631.db2.gz BJYIQLSMBPVZJE-FQEVSTJZSA-N 2 1 310.485 3.270 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)CC2 ZINC001172829188 1097249636 /nfs/dbraw/zinc/24/96/36/1097249636.db2.gz BJYIQLSMBPVZJE-FQEVSTJZSA-N 2 1 310.485 3.270 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172851463 1097261328 /nfs/dbraw/zinc/26/13/28/1097261328.db2.gz QXEYAZJKVALYNM-MCIONIFRSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172851463 1097261331 /nfs/dbraw/zinc/26/13/31/1097261331.db2.gz QXEYAZJKVALYNM-MCIONIFRSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172851463 1097261337 /nfs/dbraw/zinc/26/13/37/1097261337.db2.gz QXEYAZJKVALYNM-MCIONIFRSA-N 2 1 310.844 3.294 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173036768 1097308996 /nfs/dbraw/zinc/30/89/96/1097308996.db2.gz BAJGKSKIUOBMMI-UHFFFAOYSA-N 2 1 302.462 3.187 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173036768 1097309004 /nfs/dbraw/zinc/30/90/04/1097309004.db2.gz BAJGKSKIUOBMMI-UHFFFAOYSA-N 2 1 302.462 3.187 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](C3CCC4(CCOCC4)CC3)C2)CC1 ZINC001173048877 1097312497 /nfs/dbraw/zinc/31/24/97/1097312497.db2.gz YBCKRQWYEYMYEC-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001173074164 1097322981 /nfs/dbraw/zinc/32/29/81/1097322981.db2.gz CWRFADOUYGSUJN-NWDGAFQWSA-N 2 1 304.356 3.043 20 0 DGADMP CCOC(=O)C1([NH2+]C2CCC([NH+](CC)CC)CC2)CCCCC1 ZINC001173107302 1097331957 /nfs/dbraw/zinc/33/19/57/1097331957.db2.gz NZHWQEPISZXNGX-UHFFFAOYSA-N 2 1 324.509 3.495 20 0 DGADMP CCOC(=O)[C@@]1(C)CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173113620 1097332664 /nfs/dbraw/zinc/33/26/64/1097332664.db2.gz XQQURKRYJFQHDT-TVPLGVNVSA-N 2 1 324.509 3.305 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001173113435 1097332937 /nfs/dbraw/zinc/33/29/37/1097332937.db2.gz QEHVIWFNKYKBIL-ACBHZAAOSA-N 2 1 317.477 3.108 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173121048 1097335750 /nfs/dbraw/zinc/33/57/50/1097335750.db2.gz LWZRUDIYONLBOI-JKSUJKDBSA-N 2 1 315.486 3.283 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCc2ncsc2C1 ZINC001173143689 1097345548 /nfs/dbraw/zinc/34/55/48/1097345548.db2.gz OIIWYNHWIKFHQO-HRCADAONSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ncsc2C1 ZINC001173143689 1097345554 /nfs/dbraw/zinc/34/55/54/1097345554.db2.gz OIIWYNHWIKFHQO-HRCADAONSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2ncsc2C1 ZINC001173143689 1097345559 /nfs/dbraw/zinc/34/55/59/1097345559.db2.gz OIIWYNHWIKFHQO-HRCADAONSA-N 2 1 319.518 3.339 20 0 DGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001173255661 1097387005 /nfs/dbraw/zinc/38/70/05/1097387005.db2.gz MDCCDXZKJVDJTG-CEXWTWQISA-N 2 1 309.542 3.302 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)C1 ZINC001173265238 1097389126 /nfs/dbraw/zinc/38/91/26/1097389126.db2.gz HSBLQZNTTPYIGH-XYSPPFBYSA-N 2 1 310.482 3.137 20 0 DGADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001173278037 1097409858 /nfs/dbraw/zinc/40/98/58/1097409858.db2.gz LOUNONMPTUDKIB-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278037 1097409861 /nfs/dbraw/zinc/40/98/61/1097409861.db2.gz LOUNONMPTUDKIB-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278037 1097409866 /nfs/dbraw/zinc/40/98/66/1097409866.db2.gz LOUNONMPTUDKIB-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197883 1097416839 /nfs/dbraw/zinc/41/68/39/1097416839.db2.gz JUWHHQJIQNBUDS-SJORKVTESA-N 2 1 302.393 3.110 20 0 DGADMP C[N@H+]1CCCN(CC[NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173342194 1097423765 /nfs/dbraw/zinc/42/37/65/1097423765.db2.gz WOWQZJCNARXZKM-GOSISDBHSA-N 2 1 307.526 3.107 20 0 DGADMP CCN1CC[C@@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173356877 1097431494 /nfs/dbraw/zinc/43/14/94/1097431494.db2.gz GYIKKCMLQBLBAB-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173648767 1097491889 /nfs/dbraw/zinc/49/18/89/1097491889.db2.gz JPZCQCBEZLFGFK-ROUUACIJSA-N 2 1 324.509 3.161 20 0 DGADMP c1[nH]nc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc12 ZINC001231906838 1097888401 /nfs/dbraw/zinc/88/84/01/1097888401.db2.gz HPUWSSRZXISOIF-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC001231907918 1097889041 /nfs/dbraw/zinc/88/90/41/1097889041.db2.gz UYWGAVJFXVAXLH-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)nc(C)c2)CC1 ZINC001231997724 1097911443 /nfs/dbraw/zinc/91/14/43/1097911443.db2.gz FWDRXLNPTXONAC-UHFFFAOYSA-N 2 1 310.445 3.141 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016548 1097917602 /nfs/dbraw/zinc/91/76/02/1097917602.db2.gz YUUUABDKXZFLLH-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP c1c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232014625 1097917816 /nfs/dbraw/zinc/91/78/16/1097917816.db2.gz SZNMMUQLMGLSHZ-KRWDZBQOSA-N 2 1 308.385 3.001 20 0 DGADMP Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(C2CC2)n1 ZINC001232170899 1097956398 /nfs/dbraw/zinc/95/63/98/1097956398.db2.gz FMGDHUNJHJXAEV-SFHVURJKSA-N 2 1 316.493 3.138 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(C2CC2)n1 ZINC001232170899 1097956402 /nfs/dbraw/zinc/95/64/02/1097956402.db2.gz FMGDHUNJHJXAEV-SFHVURJKSA-N 2 1 316.493 3.138 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277624631 1097957683 /nfs/dbraw/zinc/95/76/83/1097957683.db2.gz FOKHWTARJYIPQB-WSTZPKSXSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@H+](Cc1ccns1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232192525 1097962011 /nfs/dbraw/zinc/96/20/11/1097962011.db2.gz MRDGBCNHFCTLDI-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccnc4c(F)cccc34)C2)CC1 ZINC001232212118 1097966941 /nfs/dbraw/zinc/96/69/41/1097966941.db2.gz NAGVKDPEAFFUHR-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001232396435 1098027430 /nfs/dbraw/zinc/02/74/30/1098027430.db2.gz YWTNJDZDSLLJQD-AEFFLSMTSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1ccc(OC(C)C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001232396435 1098027434 /nfs/dbraw/zinc/02/74/34/1098027434.db2.gz YWTNJDZDSLLJQD-AEFFLSMTSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1ccc(OC(C)C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001232396435 1098027439 /nfs/dbraw/zinc/02/74/39/1098027439.db2.gz YWTNJDZDSLLJQD-AEFFLSMTSA-N 2 1 302.462 3.166 20 0 DGADMP CC1(C)C[C@H](O)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001175410823 1098037848 /nfs/dbraw/zinc/03/78/48/1098037848.db2.gz ONLHMDGXVPGBJP-IBGZPJMESA-N 2 1 316.489 3.265 20 0 DGADMP c1ccc(C[N@@H+]2CC=C(Nc3cc[nH+]c4c3CCC4)CC2)cc1 ZINC001175505094 1098075693 /nfs/dbraw/zinc/07/56/93/1098075693.db2.gz NYDSWVBTZLNHGB-UHFFFAOYSA-N 2 1 305.425 3.194 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]2C1 ZINC001232911868 1098171725 /nfs/dbraw/zinc/17/17/25/1098171725.db2.gz CYHIWEDRTXWSLY-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@@H]2C1 ZINC001232911868 1098171730 /nfs/dbraw/zinc/17/17/30/1098171730.db2.gz CYHIWEDRTXWSLY-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3-n3cccc3)C[C@@H]2C1 ZINC001232911868 1098171736 /nfs/dbraw/zinc/17/17/36/1098171736.db2.gz CYHIWEDRTXWSLY-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP CCCNc1nc(N[C@@]23CC[C@@]([NH2+]C)(C2)CCC3)[nH+]cc1C ZINC001277744956 1098194060 /nfs/dbraw/zinc/19/40/60/1098194060.db2.gz AEKGAMMEUAMGER-SJORKVTESA-N 2 1 303.454 3.084 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H]1CCCCO1)C2 ZINC001175972708 1098215232 /nfs/dbraw/zinc/21/52/32/1098215232.db2.gz DGJOMKCYIRENNV-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025180 1098236038 /nfs/dbraw/zinc/23/60/38/1098236038.db2.gz YMXFILKYIWOUHP-QGZVFWFLSA-N 2 1 313.530 3.173 20 0 DGADMP C[NH+](C)CCCO[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001206288594 1098455719 /nfs/dbraw/zinc/45/57/19/1098455719.db2.gz YZLYJXCVUYJZDZ-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCC[NH+](CC)CC)[C@H]1C ZINC001176915337 1098455909 /nfs/dbraw/zinc/45/59/09/1098455909.db2.gz JDSAPQUAXMBJHO-LTIDMASMSA-N 2 1 312.498 3.016 20 0 DGADMP CC[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065936 1098470298 /nfs/dbraw/zinc/47/02/98/1098470298.db2.gz IBFNWYMCQVGACK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065936 1098470301 /nfs/dbraw/zinc/47/03/01/1098470301.db2.gz IBFNWYMCQVGACK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065936 1098470305 /nfs/dbraw/zinc/47/03/05/1098470305.db2.gz IBFNWYMCQVGACK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065936 1098470306 /nfs/dbraw/zinc/47/03/06/1098470306.db2.gz IBFNWYMCQVGACK-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCOc3ccccc32)CCCCC1 ZINC001177065612 1098470373 /nfs/dbraw/zinc/47/03/73/1098470373.db2.gz CFOKFOQPKXUNQG-INIZCTEOSA-N 2 1 302.462 3.407 20 0 DGADMP CCOc1cccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001177298807 1098505936 /nfs/dbraw/zinc/50/59/36/1098505936.db2.gz FTBJQGSFHYNLJD-MRXNPFEDSA-N 2 1 305.466 3.225 20 0 DGADMP C[N@H+]1CCc2c(cccc2O[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001234420167 1098552383 /nfs/dbraw/zinc/55/23/83/1098552383.db2.gz MGBHFNIVMXALFM-IBGZPJMESA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2c(cccc2O[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001234420167 1098552386 /nfs/dbraw/zinc/55/23/86/1098552386.db2.gz MGBHFNIVMXALFM-IBGZPJMESA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2c(cccc2O[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234420167 1098552391 /nfs/dbraw/zinc/55/23/91/1098552391.db2.gz MGBHFNIVMXALFM-IBGZPJMESA-N 2 1 322.452 3.328 20 0 DGADMP Cc1[nH]c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(C)[nH+]1 ZINC001234645508 1098629548 /nfs/dbraw/zinc/62/95/48/1098629548.db2.gz QQRZELMBJWQJDC-UHFFFAOYSA-N 2 1 324.472 3.049 20 0 DGADMP Cc1[nH]c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)c(C)[nH+]1 ZINC001234645508 1098629552 /nfs/dbraw/zinc/62/95/52/1098629552.db2.gz QQRZELMBJWQJDC-UHFFFAOYSA-N 2 1 324.472 3.049 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC001177913399 1098646524 /nfs/dbraw/zinc/64/65/24/1098646524.db2.gz YQJYAFURKFZCQV-UHFFFAOYSA-N 2 1 315.446 3.009 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c1 ZINC001206311088 1098667267 /nfs/dbraw/zinc/66/72/67/1098667267.db2.gz IMCLOFOIFWOPFJ-KRWDZBQOSA-N 2 1 312.404 3.314 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311178 1098670123 /nfs/dbraw/zinc/67/01/23/1098670123.db2.gz KQCNVMHDFHGRTR-GOSISDBHSA-N 2 1 306.498 3.206 20 0 DGADMP CCOCCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCC1 ZINC001177977236 1098680852 /nfs/dbraw/zinc/68/08/52/1098680852.db2.gz VJLTVVIYEMLTOE-UHFFFAOYSA-N 2 1 305.466 3.224 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206317808 1098731815 /nfs/dbraw/zinc/73/18/15/1098731815.db2.gz ITNHQBZFCDYROC-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP CC(C)=CCCC1=CC[C@H](CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001234978588 1098732851 /nfs/dbraw/zinc/73/28/51/1098732851.db2.gz AUDWDPQMOUSONH-PMACEKPBSA-N 2 1 317.521 3.097 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235001056 1098745623 /nfs/dbraw/zinc/74/56/23/1098745623.db2.gz RPMOULGWKYJZFC-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235001056 1098745626 /nfs/dbraw/zinc/74/56/26/1098745626.db2.gz RPMOULGWKYJZFC-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP CCC[N@@H+](C)Cc1ccc(-n2ccnc2)c(Br)c1 ZINC001235020102 1098755414 /nfs/dbraw/zinc/75/54/14/1098755414.db2.gz PAEOFDFMVZGXAR-UHFFFAOYSA-N 2 1 308.223 3.477 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025974 1098757747 /nfs/dbraw/zinc/75/77/47/1098757747.db2.gz IBTHEQGBVANOMI-UHFFFAOYSA-N 2 1 321.468 3.215 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042194 1098769411 /nfs/dbraw/zinc/76/94/11/1098769411.db2.gz VYXRTTVPWMPHBS-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCCN(CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919891 1098778938 /nfs/dbraw/zinc/77/89/38/1098778938.db2.gz QILYLHFTFCKMHK-LJQANCHMSA-N 2 1 318.436 3.206 20 0 DGADMP CN1CCC[C@@]2(CCC[N@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919891 1098778947 /nfs/dbraw/zinc/77/89/47/1098778947.db2.gz QILYLHFTFCKMHK-LJQANCHMSA-N 2 1 318.436 3.206 20 0 DGADMP CN1CCC[C@@]2(CCC[N@@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919891 1098778958 /nfs/dbraw/zinc/77/89/58/1098778958.db2.gz QILYLHFTFCKMHK-LJQANCHMSA-N 2 1 318.436 3.206 20 0 DGADMP Clc1ccc2[nH]nc(C[NH+]3CCC4(CC[NH2+]CC4)CC3)c2c1 ZINC001235136256 1098830120 /nfs/dbraw/zinc/83/01/20/1098830120.db2.gz USVJVPHPHPFYBL-UHFFFAOYSA-N 2 1 318.852 3.182 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235140210 1098832391 /nfs/dbraw/zinc/83/23/91/1098832391.db2.gz GOBFDRLAVSUUPR-UHFFFAOYSA-N 2 1 312.379 3.466 20 0 DGADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001178462424 1098838750 /nfs/dbraw/zinc/83/87/50/1098838750.db2.gz FMROBHCNCQMHPM-OAHLLOKOSA-N 2 1 306.450 3.058 20 0 DGADMP Fc1cccc(F)c1CC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154879 1098841484 /nfs/dbraw/zinc/84/14/84/1098841484.db2.gz WWCCSRIVNCWSDV-SFHVURJKSA-N 2 1 308.416 3.361 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235155515 1098842091 /nfs/dbraw/zinc/84/20/91/1098842091.db2.gz DHRUNHVXYSIZNK-SFHVURJKSA-N 2 1 324.415 3.328 20 0 DGADMP Cc1cccc2c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]nc21 ZINC001235158003 1098843753 /nfs/dbraw/zinc/84/37/53/1098843753.db2.gz SYLKYDKBCVFITL-SFHVURJKSA-N 2 1 312.461 3.225 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159331 1098844609 /nfs/dbraw/zinc/84/46/09/1098844609.db2.gz WIANDGFANLZIOF-SFHVURJKSA-N 2 1 302.462 3.358 20 0 DGADMP COc1c(F)ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235162883 1098846996 /nfs/dbraw/zinc/84/69/96/1098846996.db2.gz XVDHMBVMMQJPMT-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235167522 1098848298 /nfs/dbraw/zinc/84/82/98/1098848298.db2.gz KLRVBVMLQPXMPA-HXUWFJFHSA-N 2 1 324.472 3.289 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235163024 1098848391 /nfs/dbraw/zinc/84/83/91/1098848391.db2.gz ZFYJYHPCOJOQGT-GOSISDBHSA-N 2 1 317.477 3.223 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001235187441 1098865345 /nfs/dbraw/zinc/86/53/45/1098865345.db2.gz ZGTJKUSNKXWRKO-QRVBRYPASA-N 2 1 320.521 3.195 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1OC(C)C ZINC001235197183 1098872696 /nfs/dbraw/zinc/87/26/96/1098872696.db2.gz DDCPUPDLLURTGL-QZTJIDSGSA-N 2 1 302.462 3.132 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C[C@H]21 ZINC001235209495 1098878769 /nfs/dbraw/zinc/87/87/69/1098878769.db2.gz AKFZUFYTONEHJY-VIKVFOODSA-N 2 1 322.330 3.354 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C[C@H]21 ZINC001235209495 1098878777 /nfs/dbraw/zinc/87/87/77/1098878777.db2.gz AKFZUFYTONEHJY-VIKVFOODSA-N 2 1 322.330 3.354 20 0 DGADMP c1ccc(COCCCCC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209176 1098879338 /nfs/dbraw/zinc/87/93/38/1098879338.db2.gz IKYYMLOTZVGEBU-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(COCCCCC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209176 1098879346 /nfs/dbraw/zinc/87/93/46/1098879346.db2.gz IKYYMLOTZVGEBU-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP Cn1c2ccccc2c(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1-c1ccccc1 ZINC001235210607 1098883159 /nfs/dbraw/zinc/88/31/59/1098883159.db2.gz OOTGTYZXXMOPKB-YRWFTTLQSA-N 2 1 317.436 3.234 20 0 DGADMP c1c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235226030 1098897521 /nfs/dbraw/zinc/89/75/21/1098897521.db2.gz XAYOAYILENNTOD-WBVHZDCISA-N 2 1 309.457 3.367 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC001235225496 1098897717 /nfs/dbraw/zinc/89/77/17/1098897717.db2.gz VAQUMHCSVBZJEL-GJZGRUSLSA-N 2 1 304.400 3.431 20 0 DGADMP Cc1ccc2[nH]c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235240184 1098913944 /nfs/dbraw/zinc/91/39/44/1098913944.db2.gz WGRLBOSENOZZKP-MRXNPFEDSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235240184 1098913949 /nfs/dbraw/zinc/91/39/49/1098913949.db2.gz WGRLBOSENOZZKP-MRXNPFEDSA-N 2 1 312.461 3.225 20 0 DGADMP Oc1ccc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235241262 1098915353 /nfs/dbraw/zinc/91/53/53/1098915353.db2.gz NTYCQHSXHQBAPU-HNNXBMFYSA-N 2 1 310.388 3.025 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235254531 1098926477 /nfs/dbraw/zinc/92/64/77/1098926477.db2.gz JRGJZLXMMCOSHB-GDBMZVCRSA-N 2 1 312.379 3.322 20 0 DGADMP CCc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)n1 ZINC001235257691 1098929663 /nfs/dbraw/zinc/92/96/63/1098929663.db2.gz KVFDQLBKOIWTKB-UHFFFAOYSA-N 2 1 310.445 3.086 20 0 DGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178728904 1098929714 /nfs/dbraw/zinc/92/97/14/1098929714.db2.gz IMFBXGIUHQWKKF-GOSISDBHSA-N 2 1 323.525 3.093 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])ccc21 ZINC001235256625 1098929910 /nfs/dbraw/zinc/92/99/10/1098929910.db2.gz SIKDFHUZKHTPAD-MPGHIAIKSA-N 2 1 305.425 3.253 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262437 1098933980 /nfs/dbraw/zinc/93/39/80/1098933980.db2.gz RDNAUKVXTVEUKJ-HHXXYDBFSA-N 2 1 300.490 3.456 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235265635 1098938159 /nfs/dbraw/zinc/93/81/59/1098938159.db2.gz CVYLNYKANPZVHI-NHCUHLMSSA-N 2 1 306.453 3.461 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235340190 1098964446 /nfs/dbraw/zinc/96/44/46/1098964446.db2.gz ILVKHCGPCIZCQL-QGZVFWFLSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(C)cc1Br ZINC001235342450 1098966713 /nfs/dbraw/zinc/96/67/13/1098966713.db2.gz VWABFMMCHNKTKQ-CYBMUJFWSA-N 2 1 323.278 3.107 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235367293 1098983651 /nfs/dbraw/zinc/98/36/51/1098983651.db2.gz HGHZMFYKTFSUCA-INDMIFKZSA-N 2 1 306.494 3.212 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)oc1C ZINC001235379705 1098987954 /nfs/dbraw/zinc/98/79/54/1098987954.db2.gz HCVUMNDODGFGKO-UXHICEINSA-N 2 1 310.441 3.476 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)oc1C ZINC001235379705 1098987960 /nfs/dbraw/zinc/98/79/60/1098987960.db2.gz HCVUMNDODGFGKO-UXHICEINSA-N 2 1 310.441 3.476 20 0 DGADMP Nc1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235379011 1098988379 /nfs/dbraw/zinc/98/83/79/1098988379.db2.gz FOLPYGXFIBOSNO-TZIWHRDSSA-N 2 1 321.468 3.022 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235401866 1098998122 /nfs/dbraw/zinc/99/81/22/1098998122.db2.gz HZULMTDJRMPBRZ-SJORKVTESA-N 2 1 310.844 3.296 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1C(C)C ZINC001235403595 1099000224 /nfs/dbraw/zinc/00/02/24/1099000224.db2.gz LHFRYKDBUXLRQE-RBUKOAKNSA-N 2 1 320.452 3.342 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1C(C)C ZINC001235403595 1099000237 /nfs/dbraw/zinc/00/02/37/1099000237.db2.gz LHFRYKDBUXLRQE-RBUKOAKNSA-N 2 1 320.452 3.342 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001235403240 1099000269 /nfs/dbraw/zinc/00/02/69/1099000269.db2.gz KUGUTCRYJFQGJX-RBUKOAKNSA-N 2 1 313.420 3.001 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1C ZINC001235408257 1099003712 /nfs/dbraw/zinc/00/37/12/1099003712.db2.gz UIQMJVOQJUCJTM-OALUTQOASA-N 2 1 320.452 3.144 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001235409183 1099004950 /nfs/dbraw/zinc/00/49/50/1099004950.db2.gz VNPMMQBVMBLDQK-RBUKOAKNSA-N 2 1 302.437 3.478 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC001179066370 1099010355 /nfs/dbraw/zinc/01/03/55/1099010355.db2.gz HOIPVYQBKZPBLB-XOVFHRFOSA-N 2 1 324.896 3.426 20 0 DGADMP Oc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235421859 1099012536 /nfs/dbraw/zinc/01/25/36/1099012536.db2.gz CKTQDGAHQQGTCV-LSDHHAIUSA-N 2 1 308.853 3.257 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235422263 1099013262 /nfs/dbraw/zinc/01/32/62/1099013262.db2.gz AQMCJNOVXAZBEW-CVEARBPZSA-N 2 1 308.416 3.219 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235421037 1099014379 /nfs/dbraw/zinc/01/43/79/1099014379.db2.gz ARXFNATUIHAKRX-SJORKVTESA-N 2 1 317.477 3.080 20 0 DGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC001235425271 1099015854 /nfs/dbraw/zinc/01/58/54/1099015854.db2.gz IYIOZCKVWIVFAS-LSDHHAIUSA-N 2 1 307.869 3.255 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425133 1099016074 /nfs/dbraw/zinc/01/60/74/1099016074.db2.gz IIZXCCFTJHEFDB-SJLPKXTDSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425320 1099016890 /nfs/dbraw/zinc/01/68/90/1099016890.db2.gz ITTQLCORIBAJEB-JKSUJKDBSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425320 1099016900 /nfs/dbraw/zinc/01/69/00/1099016900.db2.gz ITTQLCORIBAJEB-JKSUJKDBSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425320 1099016911 /nfs/dbraw/zinc/01/69/11/1099016911.db2.gz ITTQLCORIBAJEB-JKSUJKDBSA-N 2 1 312.461 3.083 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426211 1099018420 /nfs/dbraw/zinc/01/84/20/1099018420.db2.gz JKEPAEIVVJOOAN-HZPDHXFCSA-N 2 1 306.425 3.046 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429148 1099020987 /nfs/dbraw/zinc/02/09/87/1099020987.db2.gz POLARPXHJMUDIE-DLBZAZTESA-N 2 1 302.462 3.221 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235429354 1099021219 /nfs/dbraw/zinc/02/12/19/1099021219.db2.gz XFZTVJSDHJVGLL-STQMWFEESA-N 2 1 312.379 3.316 20 0 DGADMP CSc1ncc(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430088 1099025156 /nfs/dbraw/zinc/02/51/56/1099025156.db2.gz DFLXYUDTJLUMOD-HZPDHXFCSA-N 2 1 319.518 3.324 20 0 DGADMP COc1c(F)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429831 1099026973 /nfs/dbraw/zinc/02/69/73/1099026973.db2.gz RPFJWINTPBFJPH-CABCVRRESA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429847 1099027069 /nfs/dbraw/zinc/02/70/69/1099027069.db2.gz RQGYCKGGDSZUTF-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc21 ZINC001235432756 1099027958 /nfs/dbraw/zinc/02/79/58/1099027958.db2.gz YDXQWZMUGOTOMU-MOPGFXCFSA-N 2 1 311.473 3.390 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Cl ZINC001235433731 1099030390 /nfs/dbraw/zinc/03/03/90/1099030390.db2.gz NJLYHLTZQYHXAX-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP C[N@H+](Cc1cccn1-c1ccccc1F)CC1CC[NH2+]CC1 ZINC001235433427 1099030701 /nfs/dbraw/zinc/03/07/01/1099030701.db2.gz HPDXJYRLXSLFHB-UHFFFAOYSA-N 2 1 301.409 3.048 20 0 DGADMP C[N@H+](Cc1ccc(OC2CCCCC2)nc1)CC1CC[NH2+]CC1 ZINC001235433793 1099031537 /nfs/dbraw/zinc/03/15/37/1099031537.db2.gz QQYDBOSZLGEADY-UHFFFAOYSA-N 2 1 317.477 3.225 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001235433803 1099032251 /nfs/dbraw/zinc/03/22/51/1099032251.db2.gz REOVJIIGGCXCNR-UHFFFAOYSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(C)c1Br ZINC001235465261 1099051520 /nfs/dbraw/zinc/05/15/20/1099051520.db2.gz IKJWUWXMJUAHTE-UHFFFAOYSA-N 2 1 311.267 3.250 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC001235466664 1099051856 /nfs/dbraw/zinc/05/18/56/1099051856.db2.gz RUMLKBLXDZRYCV-UHFFFAOYSA-N 2 1 311.267 3.250 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCCCCO)C[C@@H]21 ZINC001235661637 1099110752 /nfs/dbraw/zinc/11/07/52/1099110752.db2.gz TZYZPVFKUQOMRT-UFYCRDLUSA-N 2 1 316.489 3.260 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCCCCO)C[C@@H]21 ZINC001235661637 1099110759 /nfs/dbraw/zinc/11/07/59/1099110759.db2.gz TZYZPVFKUQOMRT-UFYCRDLUSA-N 2 1 316.489 3.260 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCCCCO)C[C@@H]21 ZINC001235661637 1099110764 /nfs/dbraw/zinc/11/07/64/1099110764.db2.gz TZYZPVFKUQOMRT-UFYCRDLUSA-N 2 1 316.489 3.260 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235664351 1099112402 /nfs/dbraw/zinc/11/24/02/1099112402.db2.gz RPORKDUIFOJRKC-UHFFFAOYSA-N 2 1 309.457 3.037 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235663076 1099112835 /nfs/dbraw/zinc/11/28/35/1099112835.db2.gz HMAFGSMDFPXMJI-UHFFFAOYSA-N 2 1 309.457 3.037 20 0 DGADMP c1cncc(OC2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)c1 ZINC001235673377 1099116418 /nfs/dbraw/zinc/11/64/18/1099116418.db2.gz DXBCVVCAWXBKST-UHFFFAOYSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1OC ZINC001235672882 1099116843 /nfs/dbraw/zinc/11/68/43/1099116843.db2.gz AIGXCSLEJJKVGO-SJORKVTESA-N 2 1 318.461 3.373 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1OC ZINC001235672882 1099116847 /nfs/dbraw/zinc/11/68/47/1099116847.db2.gz AIGXCSLEJJKVGO-SJORKVTESA-N 2 1 318.461 3.373 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(CCc3ccccc3)CC2)CO1 ZINC001235677026 1099120529 /nfs/dbraw/zinc/12/05/29/1099120529.db2.gz WIHNKVYGRNFFAG-IBGZPJMESA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)Oc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(OC(C)C)c1 ZINC001235676249 1099120794 /nfs/dbraw/zinc/12/07/94/1099120794.db2.gz QHJPHWWGVSZONF-MRXNPFEDSA-N 2 1 320.477 3.432 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(OC(C)C)c1 ZINC001235676249 1099120798 /nfs/dbraw/zinc/12/07/98/1099120798.db2.gz QHJPHWWGVSZONF-MRXNPFEDSA-N 2 1 320.477 3.432 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c1)NCC2 ZINC001235679023 1099122408 /nfs/dbraw/zinc/12/24/08/1099122408.db2.gz NSJLUMINFZYACP-LJQANCHMSA-N 2 1 313.489 3.495 20 0 DGADMP c1cncc([C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001235680032 1099123569 /nfs/dbraw/zinc/12/35/69/1099123569.db2.gz QOFXGKZDRJYQFH-FQEVSTJZSA-N 2 1 307.441 3.455 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cccc(C[NH3+])c3)C2)cc1 ZINC001235687871 1099128713 /nfs/dbraw/zinc/12/87/13/1099128713.db2.gz KKYGIHSEUZRUEU-FQEVSTJZSA-N 2 1 310.441 3.497 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2cccs2)CC1 ZINC001235692012 1099131048 /nfs/dbraw/zinc/13/10/48/1099131048.db2.gz MWHWBLAPMSPKRG-JSGCOSHPSA-N 2 1 314.445 3.418 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235690398 1099131107 /nfs/dbraw/zinc/13/11/07/1099131107.db2.gz FUEGIVRCHALFHD-HXUWFJFHSA-N 2 1 308.425 3.333 20 0 DGADMP Nc1[nH]c(C[NH+]2CCC(CCc3ccc(Cl)cc3)CC2)c[nH+]1 ZINC001235695488 1099132752 /nfs/dbraw/zinc/13/27/52/1099132752.db2.gz VUQDRILNQUYGSL-UHFFFAOYSA-N 2 1 318.852 3.490 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(F)c1 ZINC001235705803 1099138019 /nfs/dbraw/zinc/13/80/19/1099138019.db2.gz KZTWVMJSHYWHIJ-UHFFFAOYSA-N 2 1 324.415 3.185 20 0 DGADMP [NH3+]CCCC[N@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235709367 1099140151 /nfs/dbraw/zinc/14/01/51/1099140151.db2.gz FXCVJCUGEGMUBS-CQSZACIVSA-N 2 1 317.260 3.323 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235714195 1099141037 /nfs/dbraw/zinc/14/10/37/1099141037.db2.gz IWABATMIDMEPOW-FQEVSTJZSA-N 2 1 308.425 3.081 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(OC(C)C)c1 ZINC001235717105 1099143778 /nfs/dbraw/zinc/14/37/78/1099143778.db2.gz DGHPJXRCNVBQAO-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CN(CCC1CC[NH2+]CC1)Cc1cc([O-])c(Cl)c(F)c1F ZINC001235719584 1099145710 /nfs/dbraw/zinc/14/57/10/1099145710.db2.gz XSGQFTKROQTSPP-UHFFFAOYSA-N 2 1 318.795 3.145 20 0 DGADMP CC1([NH3+])CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001235748052 1099163096 /nfs/dbraw/zinc/16/30/96/1099163096.db2.gz HOIHOSYUOCKERZ-UHFFFAOYSA-N 2 1 303.837 3.444 20 0 DGADMP CC[N@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235761726 1099169182 /nfs/dbraw/zinc/16/91/82/1099169182.db2.gz OZHXSMYBGZMZPV-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP CC[N@@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235761726 1099169192 /nfs/dbraw/zinc/16/91/92/1099169192.db2.gz OZHXSMYBGZMZPV-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001179814535 1099210921 /nfs/dbraw/zinc/21/09/21/1099210921.db2.gz AIRPHWLRMAOUKQ-DAXOMENPSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001179814535 1099210927 /nfs/dbraw/zinc/21/09/27/1099210927.db2.gz AIRPHWLRMAOUKQ-DAXOMENPSA-N 2 1 308.853 3.169 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC001179830288 1099214434 /nfs/dbraw/zinc/21/44/34/1099214434.db2.gz OIECJKGOLLSMJO-HNNXBMFYSA-N 2 1 318.440 3.221 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001235865377 1099227391 /nfs/dbraw/zinc/22/73/91/1099227391.db2.gz CSLAAJMUWRTASH-MJGOQNOKSA-N 2 1 313.489 3.251 20 0 DGADMP Clc1ccc2[nH]nc(CN3CCC([C@H]4CCC[NH2+]4)CC3)c2c1 ZINC001235884088 1099231439 /nfs/dbraw/zinc/23/14/39/1099231439.db2.gz SSKANKCQCAITFK-OAHLLOKOSA-N 2 1 318.852 3.180 20 0 DGADMP Clc1ccc2[nH]nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2c1 ZINC001235884088 1099231457 /nfs/dbraw/zinc/23/14/57/1099231457.db2.gz SSKANKCQCAITFK-OAHLLOKOSA-N 2 1 318.852 3.180 20 0 DGADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1Cl ZINC001235882939 1099232126 /nfs/dbraw/zinc/23/21/26/1099232126.db2.gz UMZNADYIDXWQAH-MQYQWHSLSA-N 2 1 311.256 3.248 20 0 DGADMP CCOc1cc(F)c(F)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235887711 1099234824 /nfs/dbraw/zinc/23/48/24/1099234824.db2.gz HMBNLQPJHPYLNW-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890784 1099235877 /nfs/dbraw/zinc/23/58/77/1099235877.db2.gz CATYETWXXDKPCH-OCCSQVGLSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890784 1099235885 /nfs/dbraw/zinc/23/58/85/1099235885.db2.gz CATYETWXXDKPCH-OCCSQVGLSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891354 1099236701 /nfs/dbraw/zinc/23/67/01/1099236701.db2.gz FYWKHAWTNJPBPO-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891354 1099236705 /nfs/dbraw/zinc/23/67/05/1099236705.db2.gz FYWKHAWTNJPBPO-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001235892437 1099238530 /nfs/dbraw/zinc/23/85/30/1099238530.db2.gz QSBLJBROSHVNTG-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001235892437 1099238540 /nfs/dbraw/zinc/23/85/40/1099238540.db2.gz QSBLJBROSHVNTG-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235925165 1099262305 /nfs/dbraw/zinc/26/23/05/1099262305.db2.gz JZOCDHVEUJSJOP-KRWDZBQOSA-N 2 1 320.440 3.339 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929350 1099265203 /nfs/dbraw/zinc/26/52/03/1099265203.db2.gz MPSMPPIJWUXIBX-GJZGRUSLSA-N 2 1 312.379 3.179 20 0 DGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179988504 1099265601 /nfs/dbraw/zinc/26/56/01/1099265601.db2.gz JFUSKVOMXKDKPH-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)ccc1-2 ZINC001235937941 1099272403 /nfs/dbraw/zinc/27/24/03/1099272403.db2.gz JWFFAHQNVTXXSJ-MJGOQNOKSA-N 2 1 304.437 3.299 20 0 DGADMP COCCC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC001235937839 1099272694 /nfs/dbraw/zinc/27/26/94/1099272694.db2.gz RFWHXQRHSRNLDU-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP COCCC[N@@H+](Cc1c(C)cc(C)cc1C)C1CC[NH2+]CC1 ZINC001235937021 1099273122 /nfs/dbraw/zinc/27/31/22/1099273122.db2.gz JMNDQTLIJUFKPO-UHFFFAOYSA-N 2 1 304.478 3.202 20 0 DGADMP COCC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001235945137 1099278396 /nfs/dbraw/zinc/27/83/96/1099278396.db2.gz TZAIEDZAEYIWIE-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP COCC[N@@H+](Cc1cc(C)c(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001235945137 1099278405 /nfs/dbraw/zinc/27/84/05/1099278405.db2.gz TZAIEDZAEYIWIE-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP CC1(C[N@H+]2CCc3c(Br)cccc3C2)CC[NH2+]CC1 ZINC001235946943 1099279291 /nfs/dbraw/zinc/27/92/91/1099279291.db2.gz SUDOVJJBMDNIJN-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP CCN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947830 1099281625 /nfs/dbraw/zinc/28/16/25/1099281625.db2.gz GRIMLRMQWGJYRB-NHCUHLMSSA-N 2 1 323.484 3.283 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949317 1099282898 /nfs/dbraw/zinc/28/28/98/1099282898.db2.gz DOGLVQRQUFWTFK-XNRPHZJLSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949317 1099282906 /nfs/dbraw/zinc/28/29/06/1099282906.db2.gz DOGLVQRQUFWTFK-XNRPHZJLSA-N 2 1 312.379 3.106 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950134 1099283598 /nfs/dbraw/zinc/28/35/98/1099283598.db2.gz RBSJANYPPUDBNB-XKQJLSEDSA-N 2 1 324.415 3.323 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950134 1099283607 /nfs/dbraw/zinc/28/36/07/1099283607.db2.gz RBSJANYPPUDBNB-XKQJLSEDSA-N 2 1 324.415 3.323 20 0 DGADMP C[N@@H+](CCc1c(Cl)cccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC001235950905 1099285608 /nfs/dbraw/zinc/28/56/08/1099285608.db2.gz PEGCZJKWJXMPIZ-LBPRGKRZSA-N 2 1 301.261 3.467 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957331 1099289704 /nfs/dbraw/zinc/28/97/04/1099289704.db2.gz NCVFPASZEURXEA-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957623 1099289748 /nfs/dbraw/zinc/28/97/48/1099289748.db2.gz QRQDHQMBGHUJFD-ZDUSSCGKSA-N 2 1 316.367 3.325 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961505 1099293255 /nfs/dbraw/zinc/29/32/55/1099293255.db2.gz BFPDPJQQNSBQLS-DOMZBBRYSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961505 1099293262 /nfs/dbraw/zinc/29/32/62/1099293262.db2.gz BFPDPJQQNSBQLS-DOMZBBRYSA-N 2 1 300.368 3.138 20 0 DGADMP Cc1c(O)cccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973583 1099301662 /nfs/dbraw/zinc/30/16/62/1099301662.db2.gz NIEHGRXCFLEUOZ-UHFFFAOYSA-N 2 1 322.452 3.338 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c1CCN2 ZINC001235971863 1099302212 /nfs/dbraw/zinc/30/22/12/1099302212.db2.gz BJLOKZMIUAHRRQ-ROUUACIJSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001235971863 1099302218 /nfs/dbraw/zinc/30/22/18/1099302218.db2.gz BJLOKZMIUAHRRQ-ROUUACIJSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCN2 ZINC001235971863 1099302228 /nfs/dbraw/zinc/30/22/28/1099302228.db2.gz BJLOKZMIUAHRRQ-ROUUACIJSA-N 2 1 313.489 3.493 20 0 DGADMP CCc1cccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)n1 ZINC001235976829 1099305819 /nfs/dbraw/zinc/30/58/19/1099305819.db2.gz GGJXJNGVRFSHAO-UHFFFAOYSA-N 2 1 321.468 3.281 20 0 DGADMP c1cc2n(c1C[N@H+]1Cc3ccccc3C3(CC[NH2+]CC3)C1)CCC2 ZINC001235978293 1099305853 /nfs/dbraw/zinc/30/58/53/1099305853.db2.gz KDKPHEBKZUFFRL-UHFFFAOYSA-N 2 1 321.468 3.071 20 0 DGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)c1 ZINC001235999839 1099322025 /nfs/dbraw/zinc/32/20/25/1099322025.db2.gz MDAVMZSPMIHOQG-WCRBZPEASA-N 2 1 322.452 3.068 20 0 DGADMP c1cc2c(cccc2C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH]1 ZINC001236012281 1099335161 /nfs/dbraw/zinc/33/51/61/1099335161.db2.gz HGCRUCOAYODXKA-NQIIRXRSSA-N 2 1 317.436 3.141 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001236060865 1099361342 /nfs/dbraw/zinc/36/13/42/1099361342.db2.gz SHUTUANJPKMYHM-FHWLQOOXSA-N 2 1 320.521 3.338 20 0 DGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236071822 1099370210 /nfs/dbraw/zinc/37/02/10/1099370210.db2.gz JNUBVPGYTUNEPX-QGZVFWFLSA-N 2 1 321.468 3.043 20 0 DGADMP COc1cccc(CC2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001236084730 1099377883 /nfs/dbraw/zinc/37/78/83/1099377883.db2.gz FQDZRGXYGDUSRX-SFHVURJKSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001236092612 1099380639 /nfs/dbraw/zinc/38/06/39/1099380639.db2.gz NLXFSMIWNRIYOA-LJQANCHMSA-N 2 1 316.489 3.339 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC001236093652 1099382288 /nfs/dbraw/zinc/38/22/88/1099382288.db2.gz VWEJQJUPBWMAGS-GOSISDBHSA-N 2 1 304.478 3.469 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155073 1099436145 /nfs/dbraw/zinc/43/61/45/1099436145.db2.gz GCMMJGBGDXXTFR-HOCLYGCPSA-N 2 1 310.432 3.430 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155073 1099436148 /nfs/dbraw/zinc/43/61/48/1099436148.db2.gz GCMMJGBGDXXTFR-HOCLYGCPSA-N 2 1 310.432 3.430 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236167717 1099442771 /nfs/dbraw/zinc/44/27/71/1099442771.db2.gz PCAQZEXCRBSPOS-MRXNPFEDSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236167717 1099442775 /nfs/dbraw/zinc/44/27/75/1099442775.db2.gz PCAQZEXCRBSPOS-MRXNPFEDSA-N 2 1 324.509 3.353 20 0 DGADMP CCC[N@@H+](Cc1cc(F)cc(N2CCCC2)c1)C1CC[NH2+]CC1 ZINC001236184718 1099453386 /nfs/dbraw/zinc/45/33/86/1099453386.db2.gz MLVRUKMLPMLEAU-UHFFFAOYSA-N 2 1 319.468 3.390 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)ccc(Cl)c2OC)CC1 ZINC001236214416 1099469814 /nfs/dbraw/zinc/46/98/14/1099469814.db2.gz DMQZTJHIVCWFHB-UHFFFAOYSA-N 2 1 314.832 3.450 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CO1 ZINC001236224674 1099481155 /nfs/dbraw/zinc/48/11/55/1099481155.db2.gz WJBJFIYUJZKEGM-HOCLYGCPSA-N 2 1 324.465 3.107 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CO1 ZINC001236224674 1099481163 /nfs/dbraw/zinc/48/11/63/1099481163.db2.gz WJBJFIYUJZKEGM-HOCLYGCPSA-N 2 1 324.465 3.107 20 0 DGADMP COc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001236226120 1099483568 /nfs/dbraw/zinc/48/35/68/1099483568.db2.gz JBRIGOJXFMMEMQ-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP Cc1cc(Br)cc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236225711 1099483875 /nfs/dbraw/zinc/48/38/75/1099483875.db2.gz CZGHVMGFZFQGKI-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226142 1099484076 /nfs/dbraw/zinc/48/40/76/1099484076.db2.gz KCYBFGLJYQYGKZ-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226142 1099484082 /nfs/dbraw/zinc/48/40/82/1099484082.db2.gz KCYBFGLJYQYGKZ-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP Cc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)ccc1Br ZINC001236226497 1099484446 /nfs/dbraw/zinc/48/44/46/1099484446.db2.gz MUOOWNMBIBBBNA-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001236243181 1099497728 /nfs/dbraw/zinc/49/77/28/1099497728.db2.gz DDZCIOWIPOXWDL-UHFFFAOYSA-N 2 1 316.367 3.462 20 0 DGADMP C[N@@H+](CCc1cccc(F)c1)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236265783 1099508841 /nfs/dbraw/zinc/50/88/41/1099508841.db2.gz MPYFVPLPXJHEEJ-UHFFFAOYSA-N 2 1 304.434 3.207 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1CCCCC[NH3+] ZINC001236273133 1099514818 /nfs/dbraw/zinc/51/48/18/1099514818.db2.gz BXOFIKLFYITYTB-ROUUACIJSA-N 2 1 318.461 3.274 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236302994 1099523119 /nfs/dbraw/zinc/52/31/19/1099523119.db2.gz JYBAUMGGQXFULZ-UHFFFAOYSA-N 2 1 324.468 3.406 20 0 DGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C(F)(F)F ZINC001236315799 1099531230 /nfs/dbraw/zinc/53/12/30/1099531230.db2.gz NXVSHCCHTQNCCM-BETUJISGSA-N 2 1 316.342 3.276 20 0 DGADMP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F ZINC001236317308 1099531609 /nfs/dbraw/zinc/53/16/09/1099531609.db2.gz VPDTZJVPOQCTRR-BETUJISGSA-N 2 1 316.342 3.276 20 0 DGADMP Clc1ncc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320178 1099533509 /nfs/dbraw/zinc/53/35/09/1099533509.db2.gz KRWKBFUSCXCQOS-GASCZTMLSA-N 2 1 315.848 3.320 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321966 1099535975 /nfs/dbraw/zinc/53/59/75/1099535975.db2.gz YAXZRYYYRQTLTB-IYBDPMFKSA-N 2 1 302.462 3.295 20 0 DGADMP COc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374022 1099560055 /nfs/dbraw/zinc/56/00/55/1099560055.db2.gz OCSVACGYRLPLRS-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP CCOc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccn1 ZINC001236376952 1099565332 /nfs/dbraw/zinc/56/53/32/1099565332.db2.gz XIBGREUVAHVLRY-QGZVFWFLSA-N 2 1 317.477 3.225 20 0 DGADMP CCc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)n1 ZINC001236376529 1099565757 /nfs/dbraw/zinc/56/57/57/1099565757.db2.gz SZOKMTUEZCFIHZ-MRXNPFEDSA-N 2 1 301.478 3.388 20 0 DGADMP CC[N@H+](Cc1ccc(Br)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407107 1099578569 /nfs/dbraw/zinc/57/85/69/1099578569.db2.gz BVSBNJVFHVHYNZ-CQSZACIVSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407655 1099581270 /nfs/dbraw/zinc/58/12/70/1099581270.db2.gz GMDGMCSQVMZMKL-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+](Cc1cc(C(F)(F)F)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236408125 1099581487 /nfs/dbraw/zinc/58/14/87/1099581487.db2.gz LBAJFKZIVKFGHP-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@H+](Cc1cccc(C(F)(F)F)c1C)C[C@H]1CC[NH2+]C1 ZINC001236410335 1099583258 /nfs/dbraw/zinc/58/32/58/1099583258.db2.gz YUSAJOHWMXNCFP-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@H+](Cc1cc(OC)ccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236412510 1099586098 /nfs/dbraw/zinc/58/60/98/1099586098.db2.gz VXJZSOMFKIKGIB-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C2=CC[N@@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC001236412410 1099586259 /nfs/dbraw/zinc/58/62/59/1099586259.db2.gz UMKHPFZASUGVPZ-UHFFFAOYSA-N 2 1 300.446 3.174 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413122 1099587209 /nfs/dbraw/zinc/58/72/09/1099587209.db2.gz CIJUZBCWUJWCRQ-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413122 1099587221 /nfs/dbraw/zinc/58/72/21/1099587221.db2.gz CIJUZBCWUJWCRQ-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416670 1099591234 /nfs/dbraw/zinc/59/12/34/1099591234.db2.gz VUTFITSVHMIBMV-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416670 1099591243 /nfs/dbraw/zinc/59/12/43/1099591243.db2.gz VUTFITSVHMIBMV-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001236424168 1099599482 /nfs/dbraw/zinc/59/94/82/1099599482.db2.gz SBCQPSWWQVENNZ-SJLPKXTDSA-N 2 1 302.462 3.360 20 0 DGADMP COc1c(F)cccc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458587 1099622794 /nfs/dbraw/zinc/62/27/94/1099622794.db2.gz YFKLAYJFCIEJRK-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP COc1c(F)cccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458587 1099622800 /nfs/dbraw/zinc/62/28/00/1099622800.db2.gz YFKLAYJFCIEJRK-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CCOc1ncccc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458066 1099623257 /nfs/dbraw/zinc/62/32/57/1099623257.db2.gz UCWNVAVYIDKGPS-UHFFFAOYSA-N 2 1 305.466 3.080 20 0 DGADMP CCOc1ncccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458066 1099623262 /nfs/dbraw/zinc/62/32/62/1099623262.db2.gz UCWNVAVYIDKGPS-UHFFFAOYSA-N 2 1 305.466 3.080 20 0 DGADMP CC[C@H](C)C[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236465540 1099626240 /nfs/dbraw/zinc/62/62/40/1099626240.db2.gz QVTHZHCJLLNERU-HNNXBMFYSA-N 2 1 318.461 3.073 20 0 DGADMP CC(C)[N@H+](Cc1cccc(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470953 1099629914 /nfs/dbraw/zinc/62/99/14/1099629914.db2.gz SQLHJGJHGHBMLR-LJQANCHMSA-N 2 1 301.478 3.249 20 0 DGADMP CC(C)[N@@H+](Cc1cccc(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470953 1099629916 /nfs/dbraw/zinc/62/99/16/1099629916.db2.gz SQLHJGJHGHBMLR-LJQANCHMSA-N 2 1 301.478 3.249 20 0 DGADMP Cc1cc(F)cc(C[N@H+](C[C@H]2CCC=CO2)C2CC[NH2+]CC2)c1 ZINC001236480748 1099638352 /nfs/dbraw/zinc/63/83/52/1099638352.db2.gz IIXMKVQRYSNFJZ-LJQANCHMSA-N 2 1 318.436 3.381 20 0 DGADMP Cc1cc(F)cc(C[N@@H+](C[C@H]2CCC=CO2)C2CC[NH2+]CC2)c1 ZINC001236480748 1099638356 /nfs/dbraw/zinc/63/83/56/1099638356.db2.gz IIXMKVQRYSNFJZ-LJQANCHMSA-N 2 1 318.436 3.381 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+](CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC001236509441 1099652091 /nfs/dbraw/zinc/65/20/91/1099652091.db2.gz MYTLPDQLLUWVAE-UHFFFAOYSA-N 3 1 321.484 3.207 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@H]2C)C2CC[NH2+]CC2)cc1F ZINC001236516189 1099654953 /nfs/dbraw/zinc/65/49/53/1099654953.db2.gz MUCDZLMQULOVHZ-UKRRQHHQSA-N 2 1 306.425 3.044 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)C[NH2+]C3)CC2CCC2)CC1 ZINC001236539453 1099671271 /nfs/dbraw/zinc/67/12/71/1099671271.db2.gz DWCJYMAYYUHUTF-MXVIHJGJSA-N 3 1 313.489 3.162 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001236542386 1099672858 /nfs/dbraw/zinc/67/28/58/1099672858.db2.gz UXTXOWXONCHXME-WGSAOQKQSA-N 3 1 319.537 3.138 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2C[C@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543517 1099673000 /nfs/dbraw/zinc/67/30/00/1099673000.db2.gz XIAXSOHQGRXETL-BZZMCLGOSA-N 2 1 302.462 3.423 20 0 DGADMP CCOc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236554538 1099677259 /nfs/dbraw/zinc/67/72/59/1099677259.db2.gz JUEOGAHSDQQYSZ-QAQDUYKDSA-N 2 1 305.466 3.208 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)CCCO3)CC2CC2)CC1 ZINC001236553121 1099677834 /nfs/dbraw/zinc/67/78/34/1099677834.db2.gz NCEZCHMNLZSXRI-WGSAOQKQSA-N 2 1 314.473 3.494 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(C)c1C ZINC001236599589 1099695608 /nfs/dbraw/zinc/69/56/08/1099695608.db2.gz TUPZRJKDSKQPOS-INIZCTEOSA-N 2 1 302.462 3.276 20 0 DGADMP CCCOc1ccccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599022 1099695836 /nfs/dbraw/zinc/69/58/36/1099695836.db2.gz OIHRAYJBMAXGKE-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP CCCOc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599022 1099695839 /nfs/dbraw/zinc/69/58/39/1099695839.db2.gz OIHRAYJBMAXGKE-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP Fc1cccc2[nH]cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c21 ZINC001236600066 1099696937 /nfs/dbraw/zinc/69/69/37/1099696937.db2.gz YKBQXIHOTSYGOZ-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001236604299 1099699184 /nfs/dbraw/zinc/69/91/84/1099699184.db2.gz LCYZBSIAVOBYNA-CQSZACIVSA-N 2 1 320.330 3.094 20 0 DGADMP COc1c(C)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1C ZINC001236634069 1099715539 /nfs/dbraw/zinc/71/55/39/1099715539.db2.gz POSVTDUCFUGCNI-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236665690 1099732827 /nfs/dbraw/zinc/73/28/27/1099732827.db2.gz VSUSYOMRTCMLMC-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001236665690 1099732836 /nfs/dbraw/zinc/73/28/36/1099732836.db2.gz VSUSYOMRTCMLMC-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cccc(C[N@@H+](Cc2cccnc2N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236741400 1099767872 /nfs/dbraw/zinc/76/78/72/1099767872.db2.gz SCNFEZRJZRRCMH-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)CC23CC([NH3+])(C2)C3)CC1 ZINC001236756503 1099771441 /nfs/dbraw/zinc/77/14/41/1099771441.db2.gz XGXUPIYQUUGLGY-POSCCBCBSA-N 3 1 305.510 3.020 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1c(N)ccnc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767223 1099775312 /nfs/dbraw/zinc/77/53/12/1099775312.db2.gz LGGRFEYXHOKCBB-JOCQHMNTSA-N 2 1 324.900 3.435 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC001236817204 1099803653 /nfs/dbraw/zinc/80/36/53/1099803653.db2.gz AIBCJDVYZGYWJS-CADBVGFASA-N 2 1 320.521 3.323 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236827785 1099812142 /nfs/dbraw/zinc/81/21/42/1099812142.db2.gz GRGCPVMSMXGKSS-KFKAGJAMSA-N 2 1 302.462 3.260 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]12 ZINC001236832356 1099816299 /nfs/dbraw/zinc/81/62/99/1099816299.db2.gz VDYYOSMUPDEDEB-DFQSSKMNSA-N 2 1 308.425 3.228 20 0 DGADMP CCC[N@@H+](Cc1[nH]nc2ccc(Cl)cc21)C[C@H]1CC[NH2+]C1 ZINC001236835569 1099819521 /nfs/dbraw/zinc/81/95/21/1099819521.db2.gz NHGPHYMBOHKILR-LBPRGKRZSA-N 2 1 306.841 3.038 20 0 DGADMP CCC[N@H+](Cc1[nH]nc2ccc(Cl)cc21)C[C@H]1CC[NH2+]C1 ZINC001236835569 1099819529 /nfs/dbraw/zinc/81/95/29/1099819529.db2.gz NHGPHYMBOHKILR-LBPRGKRZSA-N 2 1 306.841 3.038 20 0 DGADMP CCC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236833759 1099820023 /nfs/dbraw/zinc/82/00/23/1099820023.db2.gz CEMRINJNKZYVFD-KRWDZBQOSA-N 2 1 304.478 3.442 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC)c(OCC)c1)C[C@H]1CC[NH2+]C1 ZINC001236835953 1099824335 /nfs/dbraw/zinc/82/43/35/1099824335.db2.gz RDHKSMDEAKKVLG-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP C[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001236901887 1099862221 /nfs/dbraw/zinc/86/22/21/1099862221.db2.gz CGOQFGHJZSYTKC-KRWDZBQOSA-N 2 1 319.836 3.263 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@@H]1O ZINC001236913807 1099874518 /nfs/dbraw/zinc/87/45/18/1099874518.db2.gz ODZJERGALQXAFM-GUYCJALGSA-N 2 1 319.836 3.119 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CO1 ZINC001236950309 1099888962 /nfs/dbraw/zinc/88/89/62/1099888962.db2.gz LXRQQLMABQFYJF-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H](CCc3ccccc3)C2)CO1 ZINC001236950309 1099888973 /nfs/dbraw/zinc/88/89/73/1099888973.db2.gz LXRQQLMABQFYJF-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC001236962984 1099894567 /nfs/dbraw/zinc/89/45/67/1099894567.db2.gz GZPXJAAMQMTACE-HOTGVXAUSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC001236962984 1099894573 /nfs/dbraw/zinc/89/45/73/1099894573.db2.gz GZPXJAAMQMTACE-HOTGVXAUSA-N 2 1 319.468 3.198 20 0 DGADMP CCC[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC1CC1 ZINC001236970977 1099895625 /nfs/dbraw/zinc/89/56/25/1099895625.db2.gz XDSOCJQZANZPMO-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP CCC[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC1CC1 ZINC001236970977 1099895629 /nfs/dbraw/zinc/89/56/29/1099895629.db2.gz XDSOCJQZANZPMO-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC001236967157 1099895719 /nfs/dbraw/zinc/89/57/19/1099895719.db2.gz KAKUIXXCOZZIFW-UHFFFAOYSA-N 2 1 319.468 3.342 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC001236967157 1099895724 /nfs/dbraw/zinc/89/57/24/1099895724.db2.gz KAKUIXXCOZZIFW-UHFFFAOYSA-N 2 1 319.468 3.342 20 0 DGADMP [NH3+]C12CC(CC[N@@H+]3CC[C@H](Cc4ccccc4)C(F)(F)C3)(C1)C2 ZINC001237041241 1099939948 /nfs/dbraw/zinc/93/99/48/1099939948.db2.gz FOFYMXXXCRGVKF-WWDZGPRUSA-N 2 1 320.427 3.458 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CC[C@H](Cc4ccccc4)C(F)(F)C3)(C1)C2 ZINC001237041241 1099939952 /nfs/dbraw/zinc/93/99/52/1099939952.db2.gz FOFYMXXXCRGVKF-WWDZGPRUSA-N 2 1 320.427 3.458 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@](C)(C[NH3+])C3)ccc2O1 ZINC001237056097 1099947581 /nfs/dbraw/zinc/94/75/81/1099947581.db2.gz GNGHOXKDIGLCIA-LJQANCHMSA-N 2 1 302.462 3.351 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001237057367 1099949472 /nfs/dbraw/zinc/94/94/72/1099949472.db2.gz LBMISOABVLXCEA-GOSISDBHSA-N 2 1 301.409 3.177 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001237057367 1099949476 /nfs/dbraw/zinc/94/94/76/1099949476.db2.gz LBMISOABVLXCEA-GOSISDBHSA-N 2 1 301.409 3.177 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001237057850 1099949621 /nfs/dbraw/zinc/94/96/21/1099949621.db2.gz NYNMFYLASWSSOY-AWEZNQCLSA-N 2 1 302.340 3.146 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(O)cc4ccccc43)C[C@@H]2C1 ZINC001237077313 1099955382 /nfs/dbraw/zinc/95/53/82/1099955382.db2.gz UDBHTKOERRFFMN-ROUUACIJSA-N 2 1 310.441 3.319 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(CCC[NH+](C)C)[C@@H]2C1 ZINC001278048704 1099955874 /nfs/dbraw/zinc/95/58/74/1099955874.db2.gz AKAVXIYQNCRWOX-CEXWTWQISA-N 2 1 309.542 3.161 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CNCCO4)cc2)c1 ZINC001237143458 1099991768 /nfs/dbraw/zinc/99/17/68/1099991768.db2.gz RSWKEIUHILMEAS-OAQYLSRUSA-N 2 1 322.452 3.226 20 0 DGADMP Cc1cccc(-c2ccc(CN3CC[C@]4(C3)C[NH2+]CCO4)cc2)c1 ZINC001237143458 1099991773 /nfs/dbraw/zinc/99/17/73/1099991773.db2.gz RSWKEIUHILMEAS-OAQYLSRUSA-N 2 1 322.452 3.226 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CNCCO4)cc2)cc1 ZINC001237143300 1099992623 /nfs/dbraw/zinc/99/26/23/1099992623.db2.gz QSYWNMODVSUWRP-NRFANRHFSA-N 2 1 322.452 3.226 20 0 DGADMP Cc1ccc(-c2ccc(CN3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143300 1099992632 /nfs/dbraw/zinc/99/26/32/1099992632.db2.gz QSYWNMODVSUWRP-NRFANRHFSA-N 2 1 322.452 3.226 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CNCCO4)cc2)cc1 ZINC001237143303 1099993511 /nfs/dbraw/zinc/99/35/11/1099993511.db2.gz QSYWNMODVSUWRP-OAQYLSRUSA-N 2 1 322.452 3.226 20 0 DGADMP Cc1ccc(-c2ccc(CN3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143303 1099993519 /nfs/dbraw/zinc/99/35/19/1099993519.db2.gz QSYWNMODVSUWRP-OAQYLSRUSA-N 2 1 322.452 3.226 20 0 DGADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@]4(C3)CNCCO4)c2)cc1 ZINC001237143956 1099994162 /nfs/dbraw/zinc/99/41/62/1099994162.db2.gz SXWIYHGRJCQWOA-HXUWFJFHSA-N 2 1 324.424 3.043 20 0 DGADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@]4(C3)CNCCO4)c2)cc1 ZINC001237143956 1099994174 /nfs/dbraw/zinc/99/41/74/1099994174.db2.gz SXWIYHGRJCQWOA-HXUWFJFHSA-N 2 1 324.424 3.043 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@H]3CCC[NH2+]C3)CC[C@H]1N2 ZINC001237235264 1100042264 /nfs/dbraw/zinc/04/22/64/1100042264.db2.gz NVPJCDQARQZDGM-RPVQJOFSSA-N 2 1 319.880 3.313 20 0 DGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](CCCc2cccnc2)CC1 ZINC001237274632 1100053691 /nfs/dbraw/zinc/05/36/91/1100053691.db2.gz DMBRANNONGPTKB-UHFFFAOYSA-N 2 1 321.468 3.151 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277258 1100057057 /nfs/dbraw/zinc/05/70/57/1100057057.db2.gz YFGBOWALGYYMJM-QXAKKESOSA-N 2 1 308.469 3.336 20 0 DGADMP CNc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237301572 1100069131 /nfs/dbraw/zinc/06/91/31/1100069131.db2.gz YRTGCYACQOFNJP-UHFFFAOYSA-N 2 1 321.468 3.365 20 0 DGADMP c1[nH+]cn2c1cccc2C[NH+]1CCC2(Cc3ccccc3N2)CC1 ZINC001237346966 1100087574 /nfs/dbraw/zinc/08/75/74/1100087574.db2.gz ZJKCQTIDSYAFEH-UHFFFAOYSA-N 2 1 318.424 3.337 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384333 1100102202 /nfs/dbraw/zinc/10/22/02/1100102202.db2.gz VTZHQKPHXXFSBL-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384333 1100102213 /nfs/dbraw/zinc/10/22/13/1100102213.db2.gz VTZHQKPHXXFSBL-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP c1cc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)ccn1 ZINC001237389579 1100105725 /nfs/dbraw/zinc/10/57/25/1100105725.db2.gz GRVKPZONLZJVSP-WOJBJXKFSA-N 2 1 307.441 3.323 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(CC)c1O ZINC001237402997 1100112245 /nfs/dbraw/zinc/11/22/45/1100112245.db2.gz JQRRHCZCQBZADP-ZWKOTPCHSA-N 2 1 302.462 3.091 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(CC)c1O ZINC001237402997 1100112252 /nfs/dbraw/zinc/11/22/52/1100112252.db2.gz JQRRHCZCQBZADP-ZWKOTPCHSA-N 2 1 302.462 3.091 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412898 1100118371 /nfs/dbraw/zinc/11/83/71/1100118371.db2.gz HWOLNDOMAHUHQV-QUCCMNQESA-N 2 1 307.441 3.323 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(Cl)[nH]c4cnccc43)C2)CC1 ZINC001237463380 1100132437 /nfs/dbraw/zinc/13/24/37/1100132437.db2.gz VVJSOFLTTKPPFM-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237543462 1100166766 /nfs/dbraw/zinc/16/67/66/1100166766.db2.gz GLQQQSOUMFKVLF-MSOLQXFVSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237543462 1100166771 /nfs/dbraw/zinc/16/67/71/1100166771.db2.gz GLQQQSOUMFKVLF-MSOLQXFVSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237543462 1100166780 /nfs/dbraw/zinc/16/67/80/1100166780.db2.gz GLQQQSOUMFKVLF-MSOLQXFVSA-N 2 1 307.441 3.132 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]2C1 ZINC001237655560 1100206644 /nfs/dbraw/zinc/20/66/44/1100206644.db2.gz DEQUFKBEYLBROT-UXHICEINSA-N 2 1 322.452 3.443 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]2C1 ZINC001237655560 1100206648 /nfs/dbraw/zinc/20/66/48/1100206648.db2.gz DEQUFKBEYLBROT-UXHICEINSA-N 2 1 322.452 3.443 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]2C1 ZINC001237655560 1100206653 /nfs/dbraw/zinc/20/66/53/1100206653.db2.gz DEQUFKBEYLBROT-UXHICEINSA-N 2 1 322.452 3.443 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@@H](O)C3)cc21 ZINC001237880950 1100280058 /nfs/dbraw/zinc/28/00/58/1100280058.db2.gz KQNDIGDLOOJEQC-QGZVFWFLSA-N 2 1 300.446 3.035 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](CCO)C3)cc21 ZINC001237887115 1100282524 /nfs/dbraw/zinc/28/25/24/1100282524.db2.gz RQSSNPRTYCFOCA-INIZCTEOSA-N 2 1 314.473 3.282 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(OCC)c3)C[C@@H]2C1 ZINC001238076675 1100352130 /nfs/dbraw/zinc/35/21/30/1100352130.db2.gz PHDQWWJQFMEUIM-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(OCC)c3)C[C@@H]2C1 ZINC001238076675 1100352140 /nfs/dbraw/zinc/35/21/40/1100352140.db2.gz PHDQWWJQFMEUIM-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c(OCC)c3)C[C@@H]2C1 ZINC001238076675 1100352148 /nfs/dbraw/zinc/35/21/48/1100352148.db2.gz PHDQWWJQFMEUIM-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c(OCC)c3)C[C@@H]2C1 ZINC001238076675 1100352158 /nfs/dbraw/zinc/35/21/58/1100352158.db2.gz PHDQWWJQFMEUIM-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP COC1(c2ccccc2)CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238111783 1100365018 /nfs/dbraw/zinc/36/50/18/1100365018.db2.gz XWZQSCBJYAKEHQ-UHFFFAOYSA-N 2 1 321.424 3.472 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCn1cccc1)Cc1ccccc12 ZINC001278190235 1100367059 /nfs/dbraw/zinc/36/70/59/1100367059.db2.gz ZZVNHVMKIAMNFL-UHFFFAOYSA-N 2 1 323.484 3.357 20 0 DGADMP CC(C)Oc1c(F)cccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238321566 1100415125 /nfs/dbraw/zinc/41/51/25/1100415125.db2.gz BRABMNGELPUCHO-UHFFFAOYSA-N 2 1 306.425 3.141 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ncc(C)cc2C)CC1 ZINC001238429975 1100441531 /nfs/dbraw/zinc/44/15/31/1100441531.db2.gz PPNDCNLUNKLIDY-UHFFFAOYSA-N 2 1 310.445 3.141 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC001238452042 1100448982 /nfs/dbraw/zinc/44/89/82/1100448982.db2.gz RUUUJEDGFKPXOR-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP CCCCOc1ncc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1C ZINC001238493913 1100458895 /nfs/dbraw/zinc/45/88/95/1100458895.db2.gz VQHWZIVFLAEKFG-UHFFFAOYSA-N 2 1 317.477 3.097 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC001191600195 1100493567 /nfs/dbraw/zinc/49/35/67/1100493567.db2.gz CMJIMXRTULROKR-PKOBYXMFSA-N 2 1 315.505 3.101 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC001191600195 1100493572 /nfs/dbraw/zinc/49/35/72/1100493572.db2.gz CMJIMXRTULROKR-PKOBYXMFSA-N 2 1 315.505 3.101 20 0 DGADMP COc1cc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC001238788805 1100532543 /nfs/dbraw/zinc/53/25/43/1100532543.db2.gz CTGNXLWWJPMFEL-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)CC[C@@H]1C[NH3+] ZINC001205618285 1100690369 /nfs/dbraw/zinc/69/03/69/1100690369.db2.gz UEBJHJQDAUJEPY-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205627907 1100724469 /nfs/dbraw/zinc/72/44/69/1100724469.db2.gz SUEKBDJWFFRFRC-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP Cc1cc2[nH]ccc2c(-c2cccc(CC[NH+]3CCOCC3)c2)[nH+]1 ZINC001240260982 1100915186 /nfs/dbraw/zinc/91/51/86/1100915186.db2.gz QKQBBDYPFYQVHU-UHFFFAOYSA-N 2 1 321.424 3.413 20 0 DGADMP Cc1cc2[nH]ccc2c(-c2cccc(CN3CC[NH+](C)CC3)c2)[nH+]1 ZINC001240283276 1100923166 /nfs/dbraw/zinc/92/31/66/1100923166.db2.gz KDPSRDOALBCMOZ-UHFFFAOYSA-N 2 1 320.440 3.286 20 0 DGADMP Cc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240458239 1101005328 /nfs/dbraw/zinc/00/53/28/1101005328.db2.gz JLFBCWCQCVZVOW-UHFFFAOYSA-N 2 1 322.452 3.140 20 0 DGADMP Cc1cc(C2=CC[NH2+]CC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001240465930 1101010072 /nfs/dbraw/zinc/01/00/72/1101010072.db2.gz YHYUOWPLFFRMQQ-UHFFFAOYSA-N 2 1 319.452 3.325 20 0 DGADMP c1cc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)ccc1C[NH+]1CCOCC1 ZINC001240477012 1101014031 /nfs/dbraw/zinc/01/40/31/1101014031.db2.gz IFKZKRRTFBGJPR-OAQYLSRUSA-N 2 1 322.452 3.263 20 0 DGADMP CCc1ccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC001205677674 1101031044 /nfs/dbraw/zinc/03/10/44/1101031044.db2.gz FLUMYIAZFOXJIP-HXUWFJFHSA-N 2 1 317.521 3.097 20 0 DGADMP C[NH+]1CCN(C2(c3ccc(-c4ccc(C[NH3+])cc4)cc3)CC2)CC1 ZINC001240582744 1101060228 /nfs/dbraw/zinc/06/02/28/1101060228.db2.gz PEBPUVGONYEDFQ-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP c1ccc(C[N@H+]2CCc3c(ccnc3C3=CCC[NH2+]C3)C2)cc1 ZINC001240652063 1101082509 /nfs/dbraw/zinc/08/25/09/1101082509.db2.gz RZJWBUQVPGPUCM-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C(C)C)c(C)c1 ZINC001195412382 1101130408 /nfs/dbraw/zinc/13/04/08/1101130408.db2.gz CXGBGZRKXNYELV-HXUWFJFHSA-N 2 1 320.521 3.463 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C(C)C)c(C)c1 ZINC001195412382 1101130414 /nfs/dbraw/zinc/13/04/14/1101130414.db2.gz CXGBGZRKXNYELV-HXUWFJFHSA-N 2 1 320.521 3.463 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001195412382 1101130419 /nfs/dbraw/zinc/13/04/19/1101130419.db2.gz CXGBGZRKXNYELV-HXUWFJFHSA-N 2 1 320.521 3.463 20 0 DGADMP CCOc1cccc(F)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241251168 1101321661 /nfs/dbraw/zinc/32/16/61/1101321661.db2.gz JONHZSKBFNEAPF-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(OCC[NH+](C)C)c(F)c1 ZINC001241252441 1101322872 /nfs/dbraw/zinc/32/28/72/1101322872.db2.gz UATPKYYNCZVBOW-UHFFFAOYSA-N 2 1 317.408 3.203 20 0 DGADMP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC001196631427 1101354240 /nfs/dbraw/zinc/35/42/40/1101354240.db2.gz FBGYCUOZLKUOQD-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC001196631427 1101354254 /nfs/dbraw/zinc/35/42/54/1101354254.db2.gz FBGYCUOZLKUOQD-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001196992430 1101452172 /nfs/dbraw/zinc/45/21/72/1101452172.db2.gz SSRHTHMDCFIMPO-LJQANCHMSA-N 2 1 316.489 3.265 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC001137047975 1101493178 /nfs/dbraw/zinc/49/31/78/1101493178.db2.gz XCDMBQMJFWMFDT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137047975 1101493187 /nfs/dbraw/zinc/49/31/87/1101493187.db2.gz XCDMBQMJFWMFDT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC001137047975 1101493196 /nfs/dbraw/zinc/49/31/96/1101493196.db2.gz XCDMBQMJFWMFDT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC001137047975 1101493203 /nfs/dbraw/zinc/49/32/03/1101493203.db2.gz XCDMBQMJFWMFDT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC001137047975 1101493210 /nfs/dbraw/zinc/49/32/10/1101493210.db2.gz XCDMBQMJFWMFDT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137047975 1101493219 /nfs/dbraw/zinc/49/32/19/1101493219.db2.gz XCDMBQMJFWMFDT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137047975 1101493222 /nfs/dbraw/zinc/49/32/22/1101493222.db2.gz XCDMBQMJFWMFDT-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC=C(c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)C1 ZINC001241570788 1101553043 /nfs/dbraw/zinc/55/30/43/1101553043.db2.gz MPYIBIVLXKUPDW-JOQOYGCGSA-N 2 1 308.429 3.095 20 0 DGADMP C[N@@H+]1CCC=C(c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)C1 ZINC001241570788 1101553050 /nfs/dbraw/zinc/55/30/50/1101553050.db2.gz MPYIBIVLXKUPDW-JOQOYGCGSA-N 2 1 308.429 3.095 20 0 DGADMP C[N@H+]1CCC=C(c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)C1 ZINC001241570788 1101553059 /nfs/dbraw/zinc/55/30/59/1101553059.db2.gz MPYIBIVLXKUPDW-JOQOYGCGSA-N 2 1 308.429 3.095 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001242084292 1101899769 /nfs/dbraw/zinc/89/97/69/1101899769.db2.gz PZAJKGPOKTWQNV-OAHLLOKOSA-N 2 1 321.428 3.304 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4cccnc4c3)cn12 ZINC001242251570 1102007706 /nfs/dbraw/zinc/00/77/06/1102007706.db2.gz ZPHNLFPCVDTUAP-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2nccn21 ZINC001199335711 1102117811 /nfs/dbraw/zinc/11/78/11/1102117811.db2.gz ANYWSZCDHUXXBW-INIZCTEOSA-N 2 1 300.450 3.079 20 0 DGADMP CSc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1 ZINC001242814030 1102361224 /nfs/dbraw/zinc/36/12/24/1102361224.db2.gz BQELXHKPZWPRMC-UHFFFAOYSA-N 2 1 303.406 3.019 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001205904584 1102463146 /nfs/dbraw/zinc/46/31/46/1102463146.db2.gz WCABXUJDMPPCLR-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2cnccc2Cl)CC1 ZINC001243048448 1102496042 /nfs/dbraw/zinc/49/60/42/1102496042.db2.gz VOBDWUZDLZBAJE-UHFFFAOYSA-N 2 1 301.821 3.325 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CC=CCC1)[C@@H]2C ZINC001201412825 1102582925 /nfs/dbraw/zinc/58/29/25/1102582925.db2.gz ZEEKYQWARLZGSZ-IAGOWNOFSA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CC=CCC1)[C@@H]2C ZINC001201412825 1102582935 /nfs/dbraw/zinc/58/29/35/1102582935.db2.gz ZEEKYQWARLZGSZ-IAGOWNOFSA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1CC=CCC1)[C@@H]2C ZINC001201412825 1102582940 /nfs/dbraw/zinc/58/29/40/1102582940.db2.gz ZEEKYQWARLZGSZ-IAGOWNOFSA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1CC=CCC1)[C@@H]2C ZINC001201412825 1102582949 /nfs/dbraw/zinc/58/29/49/1102582949.db2.gz ZEEKYQWARLZGSZ-IAGOWNOFSA-N 2 1 316.493 3.456 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201505080 1102616135 /nfs/dbraw/zinc/61/61/35/1102616135.db2.gz YBDCFDCLRAHHOG-DLBZAZTESA-N 2 1 320.477 3.381 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923858 1102663931 /nfs/dbraw/zinc/66/39/31/1102663931.db2.gz PDSFVIGOZCNQJI-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923858 1102663934 /nfs/dbraw/zinc/66/39/34/1102663934.db2.gz PDSFVIGOZCNQJI-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Clc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(Cl)n1 ZINC001243369973 1102688294 /nfs/dbraw/zinc/68/82/94/1102688294.db2.gz SHCNHJPFDRRIJZ-UHFFFAOYSA-N 2 1 319.195 3.390 20 0 DGADMP CCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201706156 1102695757 /nfs/dbraw/zinc/69/57/57/1102695757.db2.gz LADTZPQSEAKOGS-MRXNPFEDSA-N 2 1 306.450 3.135 20 0 DGADMP CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713321 1102698022 /nfs/dbraw/zinc/69/80/22/1102698022.db2.gz BAWLFWOEZXQORH-YTQUADARSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713321 1102698029 /nfs/dbraw/zinc/69/80/29/1102698029.db2.gz BAWLFWOEZXQORH-YTQUADARSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713321 1102698037 /nfs/dbraw/zinc/69/80/37/1102698037.db2.gz BAWLFWOEZXQORH-YTQUADARSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713321 1102698045 /nfs/dbraw/zinc/69/80/45/1102698045.db2.gz BAWLFWOEZXQORH-YTQUADARSA-N 2 1 301.478 3.414 20 0 DGADMP CCCOc1ccc(F)cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243400773 1102703654 /nfs/dbraw/zinc/70/36/54/1102703654.db2.gz VGZMRCAWAJLDHT-UHFFFAOYSA-N 2 1 315.392 3.086 20 0 DGADMP CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201730103 1102704077 /nfs/dbraw/zinc/70/40/77/1102704077.db2.gz DYINXZHOWRIISI-QYZOEREBSA-N 2 1 318.509 3.247 20 0 DGADMP CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201730103 1102704088 /nfs/dbraw/zinc/70/40/88/1102704088.db2.gz DYINXZHOWRIISI-QYZOEREBSA-N 2 1 318.509 3.247 20 0 DGADMP CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201730103 1102704098 /nfs/dbraw/zinc/70/40/98/1102704098.db2.gz DYINXZHOWRIISI-QYZOEREBSA-N 2 1 318.509 3.247 20 0 DGADMP CCCCC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201731507 1102723729 /nfs/dbraw/zinc/72/37/29/1102723729.db2.gz SAJZPRZMDSNMDQ-UHFFFAOYSA-N 2 1 304.482 3.041 20 0 DGADMP CC(C)(C)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001202073193 1102833896 /nfs/dbraw/zinc/83/38/96/1102833896.db2.gz KLASAGJOBUCDJN-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP CC(C)(C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001202073193 1102833911 /nfs/dbraw/zinc/83/39/11/1102833911.db2.gz KLASAGJOBUCDJN-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001257560163 1103069313 /nfs/dbraw/zinc/06/93/13/1103069313.db2.gz JHVJONSHFMEATQ-ZDUSSCGKSA-N 2 1 313.283 3.264 20 0 DGADMP Cc1nc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cs1 ZINC001276307955 1103267894 /nfs/dbraw/zinc/26/78/94/1103267894.db2.gz YPYBKTBFWOUPRV-UHFFFAOYSA-N 2 1 305.491 3.292 20 0 DGADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001326472542 1103331804 /nfs/dbraw/zinc/33/18/04/1103331804.db2.gz APBKROSSZMHCOK-VBSBHUPXSA-N 2 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001326472542 1103331814 /nfs/dbraw/zinc/33/18/14/1103331814.db2.gz APBKROSSZMHCOK-VBSBHUPXSA-N 3 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001326472542 1103331825 /nfs/dbraw/zinc/33/18/25/1103331825.db2.gz APBKROSSZMHCOK-VBSBHUPXSA-N 3 1 315.505 3.017 20 0 DGADMP O=c1[nH]cccc1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276327908 1103501316 /nfs/dbraw/zinc/50/13/16/1103501316.db2.gz DCRRMFQAKDMLFF-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1[nH]cccc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276327908 1103501331 /nfs/dbraw/zinc/50/13/31/1103501331.db2.gz DCRRMFQAKDMLFF-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1[nH]cccc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276327908 1103501344 /nfs/dbraw/zinc/50/13/44/1103501344.db2.gz DCRRMFQAKDMLFF-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP FC1(F)CC12CC([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001327254077 1103602264 /nfs/dbraw/zinc/60/22/64/1103602264.db2.gz KGNMHJZKULWCSD-UHFFFAOYSA-N 2 1 306.400 3.428 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001139010744 1103621317 /nfs/dbraw/zinc/62/13/17/1103621317.db2.gz AWQDVYKGQOKKPA-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206622311 1103662374 /nfs/dbraw/zinc/66/23/74/1103662374.db2.gz AJJMRVUYKUIJDO-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP CCC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001328007887 1103800416 /nfs/dbraw/zinc/80/04/16/1103800416.db2.gz YLNMQWZZEYDGHK-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328286486 1103905128 /nfs/dbraw/zinc/90/51/28/1103905128.db2.gz UTGCJIMWGHPYIG-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Br)ccc1Cl ZINC001328676308 1104019640 /nfs/dbraw/zinc/01/96/40/1104019640.db2.gz BYZWZBJNCQGBSE-SECBINFHSA-N 2 1 305.647 3.190 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765511 1104061591 /nfs/dbraw/zinc/06/15/91/1104061591.db2.gz XGAPPRAQYHZSFT-GJZGRUSLSA-N 2 1 318.486 3.397 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765511 1104061600 /nfs/dbraw/zinc/06/16/00/1104061600.db2.gz XGAPPRAQYHZSFT-GJZGRUSLSA-N 2 1 318.486 3.397 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202591921 1104070820 /nfs/dbraw/zinc/07/08/20/1104070820.db2.gz WNOBRJRMVOQBDL-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@]1(C[NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001329022956 1104127187 /nfs/dbraw/zinc/12/71/87/1104127187.db2.gz HMNXAGMUFQPSKP-LYBXBRPPSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCN(Cc2ccccc2)C1 ZINC001329022956 1104127191 /nfs/dbraw/zinc/12/71/91/1104127191.db2.gz HMNXAGMUFQPSKP-LYBXBRPPSA-N 2 1 315.505 3.006 20 0 DGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)c1 ZINC001202721646 1104139414 /nfs/dbraw/zinc/13/94/14/1104139414.db2.gz GQPACGNWTRGGES-UHFFFAOYSA-N 2 1 320.502 3.215 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC001329065227 1104141916 /nfs/dbraw/zinc/14/19/16/1104141916.db2.gz ZEUSRFCQWHHQMD-GOSISDBHSA-N 2 1 324.472 3.240 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1c(Cl)cccc1N(C)C)CC[NH2+]CC2 ZINC001329093856 1104151643 /nfs/dbraw/zinc/15/16/43/1104151643.db2.gz LLGNWSUYCPITRD-CQSZACIVSA-N 2 1 321.896 3.370 20 0 DGADMP Cn1c2ccccc2[nH+]c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212803011 1104169188 /nfs/dbraw/zinc/16/91/88/1104169188.db2.gz ONURVXQBNCZSLD-UHFFFAOYSA-N 2 1 310.401 3.257 20 0 DGADMP C[C@@H]1CCc2nc(CNC[C@@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161564 1104174042 /nfs/dbraw/zinc/17/40/42/1104174042.db2.gz NRRQELHOSSCCAU-KGLIPLIRSA-N 2 1 307.507 3.089 20 0 DGADMP CCCC[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246009263 1104352780 /nfs/dbraw/zinc/35/27/80/1104352780.db2.gz XLCDQBJAVABBBV-MRXNPFEDSA-N 2 1 310.869 3.059 20 0 DGADMP CCCCC[C@@H](O)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246030787 1104353595 /nfs/dbraw/zinc/35/35/95/1104353595.db2.gz AXSMTIYBERGSBK-AQNXPRMDSA-N 2 1 316.489 3.007 20 0 DGADMP Cc1cccc(C[N@@H+](C[C@H](O)C(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246067947 1104363289 /nfs/dbraw/zinc/36/32/89/1104363289.db2.gz QSLOKZQWGCARJF-FHWLQOOXSA-N 2 1 318.505 3.474 20 0 DGADMP CCC[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070444 1104363342 /nfs/dbraw/zinc/36/33/42/1104363342.db2.gz RGGWICHUSMPXQP-QGZVFWFLSA-N 2 1 310.869 3.055 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(Br)cc2F)C[C@@H](C)[NH2+]1 ZINC001246077939 1104371721 /nfs/dbraw/zinc/37/17/21/1104371721.db2.gz YHTBCXUHIMWFOC-NXEZZACHSA-N 2 1 315.230 3.207 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246092567 1104380536 /nfs/dbraw/zinc/38/05/36/1104380536.db2.gz DPONJRFUOHKGAN-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP F[C@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246116219 1104393506 /nfs/dbraw/zinc/39/35/06/1104393506.db2.gz WBAWCSSLOBKXEC-DLBZAZTESA-N 2 1 310.844 3.269 20 0 DGADMP F[C@]1(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246115643 1104393614 /nfs/dbraw/zinc/39/36/14/1104393614.db2.gz RXJHAZLJAFLVIQ-WMLDXEAASA-N 2 1 310.844 3.269 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246116428 1104395041 /nfs/dbraw/zinc/39/50/41/1104395041.db2.gz FETIUFKVZIRODO-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246130149 1104400157 /nfs/dbraw/zinc/40/01/57/1104400157.db2.gz YDYTYOSFIMEJBZ-FUHWJXTLSA-N 2 1 312.498 3.400 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246138278 1104401631 /nfs/dbraw/zinc/40/16/31/1104401631.db2.gz XWYVXSOJBGBFBO-UHOFOFEASA-N 2 1 323.278 3.254 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246150688 1104407588 /nfs/dbraw/zinc/40/75/88/1104407588.db2.gz GNKPXLNZFHBCAQ-ROUUACIJSA-N 2 1 320.477 3.048 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159983 1104410023 /nfs/dbraw/zinc/41/00/23/1104410023.db2.gz LXWLVVSOUWZUCF-XUVXKRRUSA-N 2 1 316.489 3.289 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC001246158803 1104410487 /nfs/dbraw/zinc/41/04/87/1104410487.db2.gz MDDKJPARMQQHKY-PEGIJTEDSA-N 2 1 304.331 3.463 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246168743 1104414688 /nfs/dbraw/zinc/41/46/88/1104414688.db2.gz GOPIVWGVVLGOHU-XWTMOSNGSA-N 2 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246168743 1104414699 /nfs/dbraw/zinc/41/46/99/1104414699.db2.gz GOPIVWGVVLGOHU-XWTMOSNGSA-N 3 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246168743 1104414708 /nfs/dbraw/zinc/41/47/08/1104414708.db2.gz GOPIVWGVVLGOHU-XWTMOSNGSA-N 3 1 309.542 3.111 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246171961 1104418825 /nfs/dbraw/zinc/41/88/25/1104418825.db2.gz XWPOJEIWEHLLSW-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246178130 1104424471 /nfs/dbraw/zinc/42/44/71/1104424471.db2.gz NMNQOHJZBAFNTE-WOJBJXKFSA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCCN(C1CCCCC1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246178130 1104424482 /nfs/dbraw/zinc/42/44/82/1104424482.db2.gz NMNQOHJZBAFNTE-WOJBJXKFSA-N 2 1 315.505 3.463 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001274623919 1104425938 /nfs/dbraw/zinc/42/59/38/1104425938.db2.gz NYJIUOPZYOICFA-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001246190446 1104429248 /nfs/dbraw/zinc/42/92/48/1104429248.db2.gz NGLUWZHBINNPGK-RCCFBDPRSA-N 2 1 303.494 3.046 20 0 DGADMP C[C@@]1([NH2+][C@@H]2CCc3cccc(Br)c3C2)CCC[NH2+]C1 ZINC001246188623 1104429326 /nfs/dbraw/zinc/42/93/26/1104429326.db2.gz JXGHTWYPUSJDPZ-CZUORRHYSA-N 2 1 323.278 3.038 20 0 DGADMP C[C@]1([NH2+][C@H]2CCc3ccc(Br)cc3C2)CCC[NH2+]C1 ZINC001246190198 1104429815 /nfs/dbraw/zinc/42/98/15/1104429815.db2.gz QAPYKGZMPOGLKB-HOTGVXAUSA-N 2 1 323.278 3.038 20 0 DGADMP C[C@@]1([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC001246191199 1104430500 /nfs/dbraw/zinc/43/05/00/1104430500.db2.gz VBJDUBWJUGGNCS-QGZVFWFLSA-N 2 1 307.869 3.041 20 0 DGADMP C[C@]1([NH2+]C2CCN(c3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC001246190720 1104430586 /nfs/dbraw/zinc/43/05/86/1104430586.db2.gz RRJKNYQWIJVCNY-KRWDZBQOSA-N 2 1 307.869 3.041 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246195005 1104432731 /nfs/dbraw/zinc/43/27/31/1104432731.db2.gz MBNMDCVYAOQYMK-QGZVFWFLSA-N 2 1 307.526 3.153 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246198520 1104433335 /nfs/dbraw/zinc/43/33/35/1104433335.db2.gz QCNNUYLDCCMDPG-PIKOESSRSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246198520 1104433342 /nfs/dbraw/zinc/43/33/42/1104433342.db2.gz QCNNUYLDCCMDPG-PIKOESSRSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246198520 1104433346 /nfs/dbraw/zinc/43/33/46/1104433346.db2.gz QCNNUYLDCCMDPG-PIKOESSRSA-N 3 1 315.505 3.017 20 0 DGADMP CCCC[C@@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246203241 1104435667 /nfs/dbraw/zinc/43/56/67/1104435667.db2.gz REMHQSFAWIFPKA-CABCVRRESA-N 2 1 300.487 3.384 20 0 DGADMP CC1(C)C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246203650 1104435775 /nfs/dbraw/zinc/43/57/75/1104435775.db2.gz CKOAJBABLUZSQG-GUDVDZBRSA-N 2 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001246203650 1104435779 /nfs/dbraw/zinc/43/57/79/1104435779.db2.gz CKOAJBABLUZSQG-GUDVDZBRSA-N 3 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246203650 1104435783 /nfs/dbraw/zinc/43/57/83/1104435783.db2.gz CKOAJBABLUZSQG-GUDVDZBRSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C[C@@H]1C ZINC001246200984 1104435890 /nfs/dbraw/zinc/43/58/90/1104435890.db2.gz GEQSFCAIGHYWCJ-QXSJWSMHSA-N 2 1 312.498 3.240 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246204109 1104436942 /nfs/dbraw/zinc/43/69/42/1104436942.db2.gz XYGLHGICVPIMMO-DNVCBOLYSA-N 2 1 310.441 3.060 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246205924 1104437173 /nfs/dbraw/zinc/43/71/73/1104437173.db2.gz BRYFJQQNWMGKNS-IRXDYDNUSA-N 2 1 320.477 3.047 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccnc(F)c3)c(F)c2)CC[NH2+]1 ZINC001246208730 1104437233 /nfs/dbraw/zinc/43/72/33/1104437233.db2.gz CKAPLTMQYFIOTD-SWLSCSKDSA-N 2 1 317.383 3.257 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001246207034 1104437273 /nfs/dbraw/zinc/43/72/73/1104437273.db2.gz MPXKYKQKQCMRLX-ILXRZTDVSA-N 2 1 312.498 3.240 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccnc(F)c3)c(F)c2)CC[NH2+]1 ZINC001246208728 1104437534 /nfs/dbraw/zinc/43/75/34/1104437534.db2.gz CKAPLTMQYFIOTD-IUODEOHRSA-N 2 1 317.383 3.257 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246222498 1104444990 /nfs/dbraw/zinc/44/49/90/1104444990.db2.gz RQLKOVXRCRHADM-ZSBIGDGJSA-N 2 1 316.367 3.333 20 0 DGADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C(F)(F)F ZINC001246234872 1104450935 /nfs/dbraw/zinc/45/09/35/1104450935.db2.gz NPUUKPMEPVGWPF-FUNVUKJBSA-N 2 1 314.351 3.087 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@@H]1CCC2(C[NH2+]C2)C1)C1CCCCC1 ZINC001246234032 1104451042 /nfs/dbraw/zinc/45/10/42/1104451042.db2.gz XBFFOROQTISLHB-CVEARBPZSA-N 2 1 322.493 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](NCC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245172 1104456902 /nfs/dbraw/zinc/45/69/02/1104456902.db2.gz NMIWDQZHDOBHNU-VQTJNVASSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245172 1104456906 /nfs/dbraw/zinc/45/69/06/1104456906.db2.gz NMIWDQZHDOBHNU-VQTJNVASSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245172 1104456909 /nfs/dbraw/zinc/45/69/09/1104456909.db2.gz NMIWDQZHDOBHNU-VQTJNVASSA-N 3 1 315.505 3.163 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246259766 1104462249 /nfs/dbraw/zinc/46/22/49/1104462249.db2.gz PWEYQUIINNIVJF-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC001246259644 1104462301 /nfs/dbraw/zinc/46/23/01/1104462301.db2.gz CBUPIUFBCVRMED-DAXOMENPSA-N 2 1 306.425 3.406 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@H]3C[NH2+][C@@H](CO)C3)CC2)CC1 ZINC001246262728 1104464195 /nfs/dbraw/zinc/46/41/95/1104464195.db2.gz QAEYBYDGSSWVMA-MHEUWTTISA-N 2 1 308.510 3.074 20 0 DGADMP CC[C@H]1CC([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246267460 1104465704 /nfs/dbraw/zinc/46/57/04/1104465704.db2.gz IABPSMHYHOHVRU-ZOBUZTSGSA-N 2 1 310.869 3.272 20 0 DGADMP OCC[C@]1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC001246294062 1104477316 /nfs/dbraw/zinc/47/73/16/1104477316.db2.gz LSICBAZZJGCPNJ-VMWRSERWSA-N 2 1 322.880 3.070 20 0 DGADMP CC(C)C[C@@H]([NH3+])CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246301619 1104478704 /nfs/dbraw/zinc/47/87/04/1104478704.db2.gz UAVHRFMWMNWCQQ-RTBURBONSA-N 2 1 303.494 3.004 20 0 DGADMP CC[C@@H]1CC([NH2+][C@@H]2CCOc3ccc(OC)cc32)C[C@@H](CC)[NH2+]1 ZINC001246318173 1104485885 /nfs/dbraw/zinc/48/58/85/1104485885.db2.gz YVCLUVVGQQXRAR-HBUWYVDXSA-N 2 1 318.461 3.418 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)C[C@H](CC)[NH2+]1 ZINC001246318172 1104486209 /nfs/dbraw/zinc/48/62/09/1104486209.db2.gz YVCLUVVGQQXRAR-BORJPKMPSA-N 2 1 318.461 3.418 20 0 DGADMP Oc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC001246322499 1104487354 /nfs/dbraw/zinc/48/73/54/1104487354.db2.gz BMGXDBYTCPFDLY-WMWLNJEOSA-N 2 1 308.425 3.354 20 0 DGADMP Oc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC001246322498 1104487781 /nfs/dbraw/zinc/48/77/81/1104487781.db2.gz BMGXDBYTCPFDLY-NHJHPMQKSA-N 2 1 308.425 3.354 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246324426 1104488751 /nfs/dbraw/zinc/48/87/51/1104488751.db2.gz GVFFVPPANFZEFS-CZUORRHYSA-N 2 1 307.869 3.039 20 0 DGADMP CCC(C)(C)C1CCC([NH2+][C@H](C(=O)OC)C2CC[NH2+]CC2)CC1 ZINC001246329532 1104493281 /nfs/dbraw/zinc/49/32/81/1104493281.db2.gz QHXCLTFZBCAHAY-JCYILVPMSA-N 2 1 324.509 3.112 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246336271 1104497379 /nfs/dbraw/zinc/49/73/79/1104497379.db2.gz NZLBJFGHOZOPGF-YZGWKJHDSA-N 3 1 315.505 3.006 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OCC)cc2)CC[NH2+]1 ZINC001246363999 1104510376 /nfs/dbraw/zinc/51/03/76/1104510376.db2.gz RNLPSFHQLAVRKZ-QZTJIDSGSA-N 2 1 318.461 3.264 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246369201 1104512796 /nfs/dbraw/zinc/51/27/96/1104512796.db2.gz YCHDJGPBXCVWEB-KNTRFNDTSA-N 2 1 310.441 3.191 20 0 DGADMP Clc1ccccc1C1([NH2+]C2CCSCC2)CC[NH2+]CC1 ZINC001246371847 1104512914 /nfs/dbraw/zinc/51/29/14/1104512914.db2.gz AWIHPJZPRFKAEZ-UHFFFAOYSA-N 2 1 310.894 3.404 20 0 DGADMP C([NH2+][C@H]1CCCCNC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001246370087 1104513436 /nfs/dbraw/zinc/51/34/36/1104513436.db2.gz XCKKDYYBPPDKFR-IBGZPJMESA-N 2 1 307.526 3.010 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ncccc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246399535 1104528026 /nfs/dbraw/zinc/52/80/26/1104528026.db2.gz ZTULUSHZPBZKSR-QKCSRTOESA-N 2 1 313.367 3.282 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407044 1104528967 /nfs/dbraw/zinc/52/89/67/1104528967.db2.gz SONXQIPPDBECJH-AXUOBQJMSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407047 1104529537 /nfs/dbraw/zinc/52/95/37/1104529537.db2.gz SONXQIPPDBECJH-UTRMSSBJSA-N 3 1 319.468 3.038 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246416768 1104533290 /nfs/dbraw/zinc/53/32/90/1104533290.db2.gz LQQZITJBRFMVMV-SPYBWZPUSA-N 2 1 324.509 3.255 20 0 DGADMP C1=CO[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)CC1 ZINC001274898287 1104536915 /nfs/dbraw/zinc/53/69/15/1104536915.db2.gz ADHVKXDOZGZZQH-RBUKOAKNSA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001274898287 1104536921 /nfs/dbraw/zinc/53/69/21/1104536921.db2.gz ADHVKXDOZGZZQH-RBUKOAKNSA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@H](C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001274898287 1104536923 /nfs/dbraw/zinc/53/69/23/1104536923.db2.gz ADHVKXDOZGZZQH-RBUKOAKNSA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@H](C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001274900397 1104538570 /nfs/dbraw/zinc/53/85/70/1104538570.db2.gz XGJAGNISDOWVEZ-SFHVURJKSA-N 2 1 304.478 3.410 20 0 DGADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)CCCCC1 ZINC001274905252 1104538704 /nfs/dbraw/zinc/53/87/04/1104538704.db2.gz BJMIDXUDMAIQOK-AYHJJNSGSA-N 2 1 324.509 3.162 20 0 DGADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C)CCCCC1 ZINC001274905252 1104538712 /nfs/dbraw/zinc/53/87/12/1104538712.db2.gz BJMIDXUDMAIQOK-AYHJJNSGSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246439664 1104540410 /nfs/dbraw/zinc/54/04/10/1104540410.db2.gz PMXJQUXYLXFQRP-ZBFHGGJFSA-N 2 1 322.880 3.162 20 0 DGADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[C@@H](C)NC1 ZINC001246441812 1104542512 /nfs/dbraw/zinc/54/25/12/1104542512.db2.gz JVWAHYMENKNNJF-VBSBHUPXSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[C@@H](C)NC1 ZINC001246441812 1104542518 /nfs/dbraw/zinc/54/25/18/1104542518.db2.gz JVWAHYMENKNNJF-VBSBHUPXSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[C@@H](C)NC1 ZINC001246441801 1104542756 /nfs/dbraw/zinc/54/27/56/1104542756.db2.gz JVWAHYMENKNNJF-AFYVEPGGSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[C@@H](C)NC1 ZINC001246441801 1104542762 /nfs/dbraw/zinc/54/27/62/1104542762.db2.gz JVWAHYMENKNNJF-AFYVEPGGSA-N 2 1 315.505 3.207 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246446035 1104542800 /nfs/dbraw/zinc/54/28/00/1104542800.db2.gz JZGREODNLGKXSS-ROUUACIJSA-N 3 1 307.526 3.199 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246443222 1104542871 /nfs/dbraw/zinc/54/28/71/1104542871.db2.gz MGSQOMNPUCASNE-YSHGAJCASA-N 2 1 302.462 3.245 20 0 DGADMP CCC[C@@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC001246457221 1104546545 /nfs/dbraw/zinc/54/65/45/1104546545.db2.gz QJIFKFNTWOBZKN-SXLOBPIMSA-N 2 1 315.505 3.161 20 0 DGADMP CC[C@@]1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CCC[NH2+]1 ZINC001246458135 1104547483 /nfs/dbraw/zinc/54/74/83/1104547483.db2.gz WSCBQXIQEHGFMO-SJCJKPOMSA-N 2 1 312.379 3.083 20 0 DGADMP CC[C@]1([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC[NH2+]C1 ZINC001246457900 1104547546 /nfs/dbraw/zinc/54/75/46/1104547546.db2.gz FPJDAUSEYBIXHR-CVEARBPZSA-N 2 1 323.278 3.038 20 0 DGADMP CC[C@@]1([NH2+][C@H](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC001246466540 1104551888 /nfs/dbraw/zinc/55/18/88/1104551888.db2.gz WHVVKIVLLILPIR-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP CCCC[C@H](C)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246486950 1104561258 /nfs/dbraw/zinc/56/12/58/1104561258.db2.gz RIFJBKSBOLKCOG-FUHWJXTLSA-N 2 1 320.477 3.396 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@H]1C[C@@H]3C[NH2+][C@H]1C3)C2 ZINC001246494360 1104564483 /nfs/dbraw/zinc/56/44/83/1104564483.db2.gz KJHHAMWVKHMETE-RCYILOBPSA-N 2 1 311.256 3.191 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001246497699 1104566449 /nfs/dbraw/zinc/56/64/49/1104566449.db2.gz PABALSJLACQFIP-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP CCCCC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246506093 1104570299 /nfs/dbraw/zinc/57/02/99/1104570299.db2.gz UUENFZJPUDYWMS-CABCVRRESA-N 2 1 300.487 3.384 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246511451 1104571192 /nfs/dbraw/zinc/57/11/92/1104571192.db2.gz JDJANFRJQZLMLP-KZNAEPCWSA-N 3 1 307.526 3.342 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCc3ccc(F)c(F)c3)CC2)C1 ZINC001274992889 1104571983 /nfs/dbraw/zinc/57/19/83/1104571983.db2.gz JTQXRUXJGOAMTB-UHFFFAOYSA-N 2 1 308.416 3.315 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C[NH2+]1 ZINC001246516004 1104573573 /nfs/dbraw/zinc/57/35/73/1104573573.db2.gz UOMCQACQKXZGOK-UWJYYQICSA-N 2 1 308.469 3.354 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246523120 1104577676 /nfs/dbraw/zinc/57/76/76/1104577676.db2.gz MRBVTUVAGKMRKZ-MRXNPFEDSA-N 2 1 320.427 3.288 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c1 ZINC001246536419 1104582095 /nfs/dbraw/zinc/58/20/95/1104582095.db2.gz FEEUUESKJWBLJG-OALUTQOASA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246536562 1104582308 /nfs/dbraw/zinc/58/23/08/1104582308.db2.gz QVAFZNBPOYNXRZ-KBAYOESNSA-N 2 1 304.478 3.479 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246539341 1104583681 /nfs/dbraw/zinc/58/36/81/1104583681.db2.gz JUENKHCXWWADSZ-SWLSCSKDSA-N 2 1 316.367 3.329 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246539341 1104583686 /nfs/dbraw/zinc/58/36/86/1104583686.db2.gz JUENKHCXWWADSZ-SWLSCSKDSA-N 2 1 316.367 3.329 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246540816 1104585246 /nfs/dbraw/zinc/58/52/46/1104585246.db2.gz UAHKTRUXHUKSKE-OPVJXMOQSA-N 2 1 315.505 3.426 20 0 DGADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040535 1104585653 /nfs/dbraw/zinc/58/56/53/1104585653.db2.gz MRJBAJGIYQRVQV-VQTJNVASSA-N 2 1 319.537 3.082 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3cccc(F)c3)CC2)CC[C@H]1C[NH3+] ZINC001246560645 1104596072 /nfs/dbraw/zinc/59/60/72/1104596072.db2.gz RIXBBDBBPQVASX-HOTGVXAUSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CCC[C@@H]1C[NH3+] ZINC001246566465 1104598021 /nfs/dbraw/zinc/59/80/21/1104598021.db2.gz IVKVFIIPPXIRTK-XNRPHZJLSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001246563941 1104598589 /nfs/dbraw/zinc/59/85/89/1104598589.db2.gz DLVPCLCGBPJMCV-LULLPPNCSA-N 2 1 302.462 3.214 20 0 DGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275058500 1104598822 /nfs/dbraw/zinc/59/88/22/1104598822.db2.gz UXRJBNYYZSFWEF-QYZOEREBSA-N 2 1 307.526 3.079 20 0 DGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275058499 1104598866 /nfs/dbraw/zinc/59/88/66/1104598866.db2.gz UXRJBNYYZSFWEF-FHWLQOOXSA-N 2 1 307.526 3.079 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)CC[C@@H]1F ZINC001246570300 1104599274 /nfs/dbraw/zinc/59/92/74/1104599274.db2.gz OZOGOWQBMCFXLI-KXIUCKCTSA-N 2 1 306.425 3.138 20 0 DGADMP [NH3+][C@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)CC[C@@H]1F ZINC001246570300 1104599283 /nfs/dbraw/zinc/59/92/83/1104599283.db2.gz OZOGOWQBMCFXLI-KXIUCKCTSA-N 2 1 306.425 3.138 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001246574863 1104601796 /nfs/dbraw/zinc/60/17/96/1104601796.db2.gz JHVQWFKOLLFRCX-RDJZCZTQSA-N 2 1 308.853 3.094 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001246573112 1104602155 /nfs/dbraw/zinc/60/21/55/1104602155.db2.gz GEHVNHSDTIAESF-QFBILLFUSA-N 2 1 304.478 3.467 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246581316 1104603527 /nfs/dbraw/zinc/60/35/27/1104603527.db2.gz YVUXDFWWGLKEBF-CRAIPNDOSA-N 2 1 308.416 3.273 20 0 DGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275066341 1104603557 /nfs/dbraw/zinc/60/35/57/1104603557.db2.gz VQYHBBPJLRLWCB-OALUTQOASA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@H](C)C[NH+]1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275066341 1104603559 /nfs/dbraw/zinc/60/35/59/1104603559.db2.gz VQYHBBPJLRLWCB-OALUTQOASA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@H](C)C[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275066341 1104603562 /nfs/dbraw/zinc/60/35/62/1104603562.db2.gz VQYHBBPJLRLWCB-OALUTQOASA-N 2 1 318.509 3.107 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246581319 1104603651 /nfs/dbraw/zinc/60/36/51/1104603651.db2.gz YVUXDFWWGLKEBF-YJBOKZPZSA-N 2 1 308.416 3.273 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578286 1104603720 /nfs/dbraw/zinc/60/37/20/1104603720.db2.gz AIPMGILHKJJLKN-WBVHZDCISA-N 2 1 308.853 3.094 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001246578286 1104603726 /nfs/dbraw/zinc/60/37/26/1104603726.db2.gz AIPMGILHKJJLKN-WBVHZDCISA-N 2 1 308.853 3.094 20 0 DGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275066343 1104603777 /nfs/dbraw/zinc/60/37/77/1104603777.db2.gz VQYHBBPJLRLWCB-RBUKOAKNSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275066343 1104603780 /nfs/dbraw/zinc/60/37/80/1104603780.db2.gz VQYHBBPJLRLWCB-RBUKOAKNSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275066343 1104603786 /nfs/dbraw/zinc/60/37/86/1104603786.db2.gz VQYHBBPJLRLWCB-RBUKOAKNSA-N 2 1 318.509 3.107 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001246578838 1104604878 /nfs/dbraw/zinc/60/48/78/1104604878.db2.gz CSMVACDCMOODBH-IPMKNSEASA-N 2 1 302.462 3.358 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@](C)(C[NH3+])C1)C2 ZINC001246583341 1104605961 /nfs/dbraw/zinc/60/59/61/1104605961.db2.gz JRKKDCYCZABITH-VQIMIIECSA-N 2 1 302.462 3.003 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275074384 1104610192 /nfs/dbraw/zinc/61/01/92/1104610192.db2.gz RXCUWMGNODZWCR-MOPGFXCFSA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275074384 1104610201 /nfs/dbraw/zinc/61/02/01/1104610201.db2.gz RXCUWMGNODZWCR-MOPGFXCFSA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275074384 1104610207 /nfs/dbraw/zinc/61/02/07/1104610207.db2.gz RXCUWMGNODZWCR-MOPGFXCFSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C[C@@H](CC)[NH2+]1 ZINC001246591663 1104610855 /nfs/dbraw/zinc/61/08/55/1104610855.db2.gz NLHUZDGIKFZCBH-NFAWXSAZSA-N 2 1 322.415 3.075 20 0 DGADMP CC(C)N([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246593749 1104612029 /nfs/dbraw/zinc/61/20/29/1104612029.db2.gz NWTANDBDXHAUFR-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@H+]([C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246593749 1104612035 /nfs/dbraw/zinc/61/20/35/1104612035.db2.gz NWTANDBDXHAUFR-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246593749 1104612039 /nfs/dbraw/zinc/61/20/39/1104612039.db2.gz NWTANDBDXHAUFR-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP c1ccc([C@H]2C[NH2+]CCN2[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246594642 1104612250 /nfs/dbraw/zinc/61/22/50/1104612250.db2.gz QAKGCXPHLZHENZ-WOJBJXKFSA-N 2 1 313.489 3.040 20 0 DGADMP c1ccc([C@@H]2C[NH2+]CCN2[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246594638 1104612545 /nfs/dbraw/zinc/61/25/45/1104612545.db2.gz QAKGCXPHLZHENZ-UXHICEINSA-N 2 1 313.489 3.040 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246601896 1104618018 /nfs/dbraw/zinc/61/80/18/1104618018.db2.gz HQKZBFORYOGVGF-CTWPCTMYSA-N 3 1 307.526 3.105 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246602036 1104619030 /nfs/dbraw/zinc/61/90/30/1104619030.db2.gz BSQUVVTXWWUTDG-AEFFLSMTSA-N 2 1 310.482 3.107 20 0 DGADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H](C)CCC=C(C)C)CC[NH2+]CC2 ZINC001246603909 1104619670 /nfs/dbraw/zinc/61/96/70/1104619670.db2.gz PFOWUYKAMRCXSM-DLBZAZTESA-N 2 1 322.493 3.129 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095907 1104620413 /nfs/dbraw/zinc/62/04/13/1104620413.db2.gz TVHYGWRJFXATEG-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095907 1104620421 /nfs/dbraw/zinc/62/04/21/1104620421.db2.gz TVHYGWRJFXATEG-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095907 1104620427 /nfs/dbraw/zinc/62/04/27/1104620427.db2.gz TVHYGWRJFXATEG-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095907 1104620431 /nfs/dbraw/zinc/62/04/31/1104620431.db2.gz TVHYGWRJFXATEG-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246603675 1104620839 /nfs/dbraw/zinc/62/08/39/1104620839.db2.gz FPAIPVSQQQNBLR-YJBOKZPZSA-N 2 1 304.865 3.415 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246605536 1104621845 /nfs/dbraw/zinc/62/18/45/1104621845.db2.gz POBJLJWZGZJNIF-MJGOQNOKSA-N 2 1 324.509 3.354 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246606185 1104622349 /nfs/dbraw/zinc/62/23/49/1104622349.db2.gz MOICVDKCGUPLRT-XLIONFOSSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001246605763 1104622639 /nfs/dbraw/zinc/62/26/39/1104622639.db2.gz CSHDPUGFQOQENC-QFBILLFUSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1cc(CN2CC[C@]3(C2)CCC[N@H+](CCC(C)C)C3)n(C)n1 ZINC001275102042 1104624321 /nfs/dbraw/zinc/62/43/21/1104624321.db2.gz HIHPPJOKWQVRBA-LJQANCHMSA-N 2 1 318.509 3.063 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607826 1104624379 /nfs/dbraw/zinc/62/43/79/1104624379.db2.gz FXLMVCSJUHJJDR-APWZRJJASA-N 2 1 302.437 3.149 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]CC3)CO2 ZINC001246607939 1104624836 /nfs/dbraw/zinc/62/48/36/1104624836.db2.gz RYDXVVDRLINAEW-FUHWJXTLSA-N 2 1 320.864 3.252 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CO2 ZINC001246607939 1104624842 /nfs/dbraw/zinc/62/48/42/1104624842.db2.gz RYDXVVDRLINAEW-FUHWJXTLSA-N 2 1 320.864 3.252 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246611688 1104626563 /nfs/dbraw/zinc/62/65/63/1104626563.db2.gz GYDYADGUOZBMNV-IBGZPJMESA-N 2 1 316.489 3.100 20 0 DGADMP CC(C)(C)C1CCC([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CC1 ZINC001246615898 1104629588 /nfs/dbraw/zinc/62/95/88/1104629588.db2.gz UUTGSAJTQYROPN-UHFFFAOYSA-N 2 1 308.510 3.293 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC001246620807 1104631235 /nfs/dbraw/zinc/63/12/35/1104631235.db2.gz ANMOFGLHTUDOIT-HZSPNIEDSA-N 2 1 311.256 3.002 20 0 DGADMP CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)nn3C)(C1)CCC2 ZINC001275117928 1104632417 /nfs/dbraw/zinc/63/24/17/1104632417.db2.gz PGJSNABOBQNUKE-ZWKOTPCHSA-N 2 1 304.482 3.053 20 0 DGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246627222 1104634722 /nfs/dbraw/zinc/63/47/22/1104634722.db2.gz VOUICYBCHXUJAI-ZIFCJYIRSA-N 2 1 316.489 3.269 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246627443 1104634854 /nfs/dbraw/zinc/63/48/54/1104634854.db2.gz JSHXLJCRYHKWLN-APWZRJJASA-N 2 1 302.462 3.092 20 0 DGADMP CCCCCC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275125808 1104637309 /nfs/dbraw/zinc/63/73/09/1104637309.db2.gz AZLHSHMZEOYDCV-UHFFFAOYSA-N 2 1 318.509 3.251 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246643334 1104641933 /nfs/dbraw/zinc/64/19/33/1104641933.db2.gz YIWSPFZBNGCEDF-VQTJNVASSA-N 2 1 316.489 3.100 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246648123 1104645129 /nfs/dbraw/zinc/64/51/29/1104645129.db2.gz KXGWECMLGWPDFO-UXHICEINSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648123 1104645134 /nfs/dbraw/zinc/64/51/34/1104645134.db2.gz KXGWECMLGWPDFO-UXHICEINSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648123 1104645139 /nfs/dbraw/zinc/64/51/39/1104645139.db2.gz KXGWECMLGWPDFO-UXHICEINSA-N 2 1 316.489 3.098 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647429 1104645803 /nfs/dbraw/zinc/64/58/03/1104645803.db2.gz SCAZMAHPPSXJCK-VQIMIIECSA-N 2 1 316.489 3.480 20 0 DGADMP c1ccc([C@H]2C[C@@H]([N@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647690 1104646121 /nfs/dbraw/zinc/64/61/21/1104646121.db2.gz MLNXBIGTRXLEGV-RBUKOAKNSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@H]2C[C@@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647690 1104646123 /nfs/dbraw/zinc/64/61/23/1104646123.db2.gz MLNXBIGTRXLEGV-RBUKOAKNSA-N 3 1 313.489 3.088 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC(C)(C)C1 ZINC001246653037 1104648928 /nfs/dbraw/zinc/64/89/28/1104648928.db2.gz CERWEKHPVFGWIX-ABHRYQDASA-N 2 1 304.400 3.285 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661888 1104653111 /nfs/dbraw/zinc/65/31/11/1104653111.db2.gz HFMZUKZNNYPZDR-DAXOMENPSA-N 2 1 312.379 3.450 20 0 DGADMP CC(C)(C)CC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275151612 1104653470 /nfs/dbraw/zinc/65/34/70/1104653470.db2.gz LVMDOYLMFPOWMO-UHFFFAOYSA-N 2 1 304.482 3.134 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC001246667062 1104654410 /nfs/dbraw/zinc/65/44/10/1104654410.db2.gz XQTCYQVBWNAVPJ-JZOCTASASA-N 2 1 310.441 3.058 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246673402 1104657317 /nfs/dbraw/zinc/65/73/17/1104657317.db2.gz MJEKQILBBXNMJK-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246679270 1104658276 /nfs/dbraw/zinc/65/82/76/1104658276.db2.gz SKBPHLKOEDBXAT-VCAKUFKGSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246677101 1104658369 /nfs/dbraw/zinc/65/83/69/1104658369.db2.gz GQFLONRQVRUBEF-DGCLKSJQSA-N 2 1 313.272 3.466 20 0 DGADMP CSCC[C@@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246677526 1104658413 /nfs/dbraw/zinc/65/84/13/1104658413.db2.gz VREQCQWZXBDDAY-KBAYOESNSA-N 2 1 304.503 3.350 20 0 DGADMP CSCC[C@@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246677526 1104658417 /nfs/dbraw/zinc/65/84/17/1104658417.db2.gz VREQCQWZXBDDAY-KBAYOESNSA-N 2 1 304.503 3.350 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CC[NH2+]2 ZINC001246677139 1104658490 /nfs/dbraw/zinc/65/84/90/1104658490.db2.gz GRWDDCIZBZAWFT-IPMKNSEASA-N 3 1 319.537 3.153 20 0 DGADMP CCSC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246684634 1104660090 /nfs/dbraw/zinc/66/00/90/1104660090.db2.gz MOLGVJBGNLYREQ-YTQUADARSA-N 2 1 318.530 3.381 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246841152 1104701138 /nfs/dbraw/zinc/70/11/38/1104701138.db2.gz UDLGDVUZXVKPQN-DOMZBBRYSA-N 2 1 311.267 3.412 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246685366 1104662244 /nfs/dbraw/zinc/66/22/44/1104662244.db2.gz HSFCVUFJBNOLKK-QZTJIDSGSA-N 2 1 321.896 3.239 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC1 ZINC001246687147 1104662465 /nfs/dbraw/zinc/66/24/65/1104662465.db2.gz VKCFMUKXFPVICG-HQAQSGSHSA-N 2 1 320.521 3.434 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001275168300 1104663557 /nfs/dbraw/zinc/66/35/57/1104663557.db2.gz KAIZJAMGFGSEQX-ZWKOTPCHSA-N 2 1 308.510 3.247 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001275168300 1104663561 /nfs/dbraw/zinc/66/35/61/1104663561.db2.gz KAIZJAMGFGSEQX-ZWKOTPCHSA-N 2 1 308.510 3.247 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001275168298 1104663752 /nfs/dbraw/zinc/66/37/52/1104663752.db2.gz KAIZJAMGFGSEQX-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001275168298 1104663756 /nfs/dbraw/zinc/66/37/56/1104663756.db2.gz KAIZJAMGFGSEQX-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC[NH2+]1 ZINC001246744394 1104665711 /nfs/dbraw/zinc/66/57/11/1104665711.db2.gz MKKKIORBLAXWGP-SLHNCBLASA-N 2 1 320.521 3.290 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)CC[NH2+]1 ZINC001246733114 1104665736 /nfs/dbraw/zinc/66/57/36/1104665736.db2.gz JMITYUFTSVKDOF-NZSAHSFTSA-N 2 1 314.473 3.166 20 0 DGADMP CCCC[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246773552 1104668916 /nfs/dbraw/zinc/66/89/16/1104668916.db2.gz ARDFYUAXWGAQLT-HSALFYBXSA-N 2 1 315.505 3.286 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246777309 1104669035 /nfs/dbraw/zinc/66/90/35/1104669035.db2.gz FEPKTQKZJHJOTG-YJBOKZPZSA-N 2 1 318.461 3.069 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246780152 1104670315 /nfs/dbraw/zinc/67/03/15/1104670315.db2.gz AKUCUMJFPGRHAE-UFYCRDLUSA-N 2 1 316.489 3.241 20 0 DGADMP C[N@H+](CCOc1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246782211 1104672005 /nfs/dbraw/zinc/67/20/05/1104672005.db2.gz QHSASKDMWZKMEA-QUCCMNQESA-N 2 1 310.441 3.491 20 0 DGADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246782211 1104672011 /nfs/dbraw/zinc/67/20/11/1104672011.db2.gz QHSASKDMWZKMEA-QUCCMNQESA-N 2 1 310.441 3.491 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246785600 1104673312 /nfs/dbraw/zinc/67/33/12/1104673312.db2.gz KROQFMLSGKVMCH-RLLQIKCJSA-N 2 1 314.473 3.452 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246784605 1104673822 /nfs/dbraw/zinc/67/38/22/1104673822.db2.gz YVQNCHINLVUSFF-GGPKGHCWSA-N 2 1 314.473 3.370 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC1 ZINC001246784486 1104673869 /nfs/dbraw/zinc/67/38/69/1104673869.db2.gz XJKYWQUCLKOYSL-RJYAGPCLSA-N 2 1 318.461 3.069 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246785776 1104674102 /nfs/dbraw/zinc/67/41/02/1104674102.db2.gz MVGBZBKCGKILIM-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246788167 1104675167 /nfs/dbraw/zinc/67/51/67/1104675167.db2.gz NQKZIADYUFWNOT-JLSDUUJJSA-N 2 1 322.880 3.462 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787076 1104675359 /nfs/dbraw/zinc/67/53/59/1104675359.db2.gz QDFKBQATHZNPDQ-WDSOQIARSA-N 2 1 302.462 3.306 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccccc3C)C2)CC[NH2+]1 ZINC001246788588 1104676224 /nfs/dbraw/zinc/67/62/24/1104676224.db2.gz UIALCULMOPAVFZ-KURKYZTESA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246788614 1104676749 /nfs/dbraw/zinc/67/67/49/1104676749.db2.gz UXIXEUMYRRSJPE-OTWHNJEPSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[C@H]1C[C@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246790880 1104678246 /nfs/dbraw/zinc/67/82/46/1104678246.db2.gz IEKKXLPBAYIFEZ-DLBZAZTESA-N 2 1 324.509 3.351 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246791482 1104678139 /nfs/dbraw/zinc/67/81/39/1104678139.db2.gz JJSOTDJNAGTVII-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246790884 1104678152 /nfs/dbraw/zinc/67/81/52/1104678152.db2.gz IEKKXLPBAYIFEZ-IRXDYDNUSA-N 2 1 324.509 3.351 20 0 DGADMP CC[N@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246795913 1104679369 /nfs/dbraw/zinc/67/93/69/1104679369.db2.gz JRUFVSSKMCMWEA-HKUYNNGSSA-N 2 1 319.468 3.001 20 0 DGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246795913 1104679371 /nfs/dbraw/zinc/67/93/71/1104679371.db2.gz JRUFVSSKMCMWEA-HKUYNNGSSA-N 2 1 319.468 3.001 20 0 DGADMP Cc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)cn1 ZINC001275216244 1104679842 /nfs/dbraw/zinc/67/98/42/1104679842.db2.gz ILILXTJMNUWWCO-RBUKOAKNSA-N 2 1 314.477 3.252 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC001246803545 1104682079 /nfs/dbraw/zinc/68/20/79/1104682079.db2.gz ZJQWTBBQVQFDFO-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246812928 1104687579 /nfs/dbraw/zinc/68/75/79/1104687579.db2.gz FRLQCMVZHOQGLN-IEBWSBKVSA-N 2 1 302.462 3.092 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246813884 1104689059 /nfs/dbraw/zinc/68/90/59/1104689059.db2.gz LSOYVLWTOAZJNF-FUHWJXTLSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])CN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246819005 1104690370 /nfs/dbraw/zinc/69/03/70/1104690370.db2.gz DPSYVGXZJMPTBY-NEWSRXKRSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246824838 1104692690 /nfs/dbraw/zinc/69/26/90/1104692690.db2.gz QPZUTDNEADIAQI-DOMZBBRYSA-N 2 1 322.399 3.000 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246824841 1104693379 /nfs/dbraw/zinc/69/33/79/1104693379.db2.gz QPZUTDNEADIAQI-SWLSCSKDSA-N 2 1 322.399 3.000 20 0 DGADMP COCCC[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246837863 1104699733 /nfs/dbraw/zinc/69/97/33/1104699733.db2.gz WDBXATWSGALRQP-UYAOXDASSA-N 2 1 316.489 3.413 20 0 DGADMP c1ccc([C@@H]2CCC[C@H]([N@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843293 1104703075 /nfs/dbraw/zinc/70/30/75/1104703075.db2.gz FPDZCPADVOYQQQ-MJGOQNOKSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843293 1104703083 /nfs/dbraw/zinc/70/30/83/1104703083.db2.gz FPDZCPADVOYQQQ-MJGOQNOKSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246842600 1104703854 /nfs/dbraw/zinc/70/38/54/1104703854.db2.gz CSQVRSFLXJNIDH-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@@H](OCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246844386 1104703939 /nfs/dbraw/zinc/70/39/39/1104703939.db2.gz YOGBVFUUCTTYBQ-GPMSIDNRSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246844391 1104705160 /nfs/dbraw/zinc/70/51/60/1104705160.db2.gz YOGBVFUUCTTYBQ-NBMJBFSESA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246847857 1104706029 /nfs/dbraw/zinc/70/60/29/1104706029.db2.gz SXCCVXRHNLXLBX-OCCSQVGLSA-N 2 1 316.367 3.329 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246849280 1104706693 /nfs/dbraw/zinc/70/66/93/1104706693.db2.gz ZKWGRVRADKILSP-HZSPNIEDSA-N 2 1 310.894 3.362 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246852641 1104708142 /nfs/dbraw/zinc/70/81/42/1104708142.db2.gz FCXQSDMPJKSVRX-GDAAHCPNSA-N 2 1 302.437 3.363 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246853498 1104708250 /nfs/dbraw/zinc/70/82/50/1104708250.db2.gz MJIPFKMEXZAHQJ-KEYYUXOJSA-N 2 1 308.491 3.493 20 0 DGADMP CCN([C@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246855120 1104709431 /nfs/dbraw/zinc/70/94/31/1104709431.db2.gz TXOWEKPPWSIKMS-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@@H+]1CCOC3(CCCCC3)C1)CC[NH2+]2 ZINC001246859110 1104710801 /nfs/dbraw/zinc/71/08/01/1104710801.db2.gz AMSFWSYQHSHGEC-QGZVFWFLSA-N 2 1 306.494 3.476 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@H+]1CCOC3(CCCCC3)C1)CC[NH2+]2 ZINC001246859110 1104710810 /nfs/dbraw/zinc/71/08/10/1104710810.db2.gz AMSFWSYQHSHGEC-QGZVFWFLSA-N 2 1 306.494 3.476 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246863155 1104711553 /nfs/dbraw/zinc/71/15/53/1104711553.db2.gz KBLFTZXIBLIBBT-RISCZKNCSA-N 2 1 313.272 3.392 20 0 DGADMP CCC(C)(C)C1CCC([NH+]2CCC([C@@H]([NH3+])C(=O)OC)CC2)CC1 ZINC001246870613 1104714066 /nfs/dbraw/zinc/71/40/66/1104714066.db2.gz WAUHJZUEWWAAME-OFLPRAFFSA-N 2 1 324.509 3.194 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246873446 1104715801 /nfs/dbraw/zinc/71/58/01/1104715801.db2.gz GTTUXUVOKXOJMK-SJORKVTESA-N 2 1 318.461 3.072 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246873446 1104715809 /nfs/dbraw/zinc/71/58/09/1104715809.db2.gz GTTUXUVOKXOJMK-SJORKVTESA-N 2 1 318.461 3.072 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246872418 1104716101 /nfs/dbraw/zinc/71/61/01/1104716101.db2.gz VBGYLGHTPFRYNX-SFHVURJKSA-N 2 1 302.462 3.092 20 0 DGADMP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H](C)CC[NH2+]C ZINC001246879570 1104718478 /nfs/dbraw/zinc/71/84/78/1104718478.db2.gz BXCBYAMVPFKDJQ-JKSUJKDBSA-N 2 1 305.466 3.032 20 0 DGADMP CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H](C)CC[NH2+]C ZINC001246879570 1104718483 /nfs/dbraw/zinc/71/84/83/1104718483.db2.gz BXCBYAMVPFKDJQ-JKSUJKDBSA-N 2 1 305.466 3.032 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ncc3F)CC2)C1 ZINC001275312517 1104718763 /nfs/dbraw/zinc/71/87/63/1104718763.db2.gz WFEZBRUGIFDONY-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001246879940 1104720325 /nfs/dbraw/zinc/72/03/25/1104720325.db2.gz YMNIUQNUXDWRCS-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246882531 1104721257 /nfs/dbraw/zinc/72/12/57/1104721257.db2.gz RZKSYWKRETUWKL-ARFHVFGLSA-N 2 1 324.509 3.349 20 0 DGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882253 1104721590 /nfs/dbraw/zinc/72/15/90/1104721590.db2.gz XZXYPBVPSRMJSP-XEYPJELSSA-N 2 1 316.489 3.053 20 0 DGADMP C[N@@H+](C1CCC2(CC1)C[NH2+]CCO2)C(C)(C)Cc1ccccc1 ZINC001246889841 1104724087 /nfs/dbraw/zinc/72/40/87/1104724087.db2.gz CGWBKZXYKFTFBE-UHFFFAOYSA-N 2 1 316.489 3.241 20 0 DGADMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001246890749 1104725975 /nfs/dbraw/zinc/72/59/75/1104725975.db2.gz LKDHIVADAIZRHY-INIZCTEOSA-N 2 1 303.494 3.104 20 0 DGADMP CCCN([C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246893613 1104726235 /nfs/dbraw/zinc/72/62/35/1104726235.db2.gz LACFSKIHOSGRDD-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246895317 1104727120 /nfs/dbraw/zinc/72/71/20/1104727120.db2.gz UXIXEUMYRRSJPE-GBESFXJTSA-N 2 1 316.489 3.444 20 0 DGADMP CCC[N@@H+]([C@@H](CC)Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC001246895104 1104727318 /nfs/dbraw/zinc/72/73/18/1104727318.db2.gz RXAZPGVDKWNFJW-INIZCTEOSA-N 2 1 318.461 3.200 20 0 DGADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)CC1)[C@]1(C)CCC[NH2+]C1 ZINC001246906406 1104730678 /nfs/dbraw/zinc/73/06/78/1104730678.db2.gz BIIYCFREMWMZOM-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909842 1104732367 /nfs/dbraw/zinc/73/23/67/1104732367.db2.gz QPNRUSZLJZZHMT-SMDDNHRTSA-N 2 1 314.351 3.084 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909842 1104732374 /nfs/dbraw/zinc/73/23/74/1104732374.db2.gz QPNRUSZLJZZHMT-SMDDNHRTSA-N 2 1 314.351 3.084 20 0 DGADMP C[C@@H]1CC([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246906685 1104732605 /nfs/dbraw/zinc/73/26/05/1104732605.db2.gz RWSJDJWAEKAECW-FDCMFXBMSA-N 3 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909841 1104732997 /nfs/dbraw/zinc/73/29/97/1104732997.db2.gz QPNRUSZLJZZHMT-RISCZKNCSA-N 2 1 314.351 3.084 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909841 1104733003 /nfs/dbraw/zinc/73/30/03/1104733003.db2.gz QPNRUSZLJZZHMT-RISCZKNCSA-N 2 1 314.351 3.084 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246911226 1104733524 /nfs/dbraw/zinc/73/35/24/1104733524.db2.gz AHTCGKICVWQXLM-NXHRZFHOSA-N 2 1 302.462 3.090 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)c1 ZINC001246914091 1104736034 /nfs/dbraw/zinc/73/60/34/1104736034.db2.gz JONHZZFKRAHWED-NUJGCVRESA-N 2 1 316.489 3.479 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246924288 1104738966 /nfs/dbraw/zinc/73/89/66/1104738966.db2.gz RAFSIQJWPCLHPN-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)c1 ZINC001246926731 1104739811 /nfs/dbraw/zinc/73/98/11/1104739811.db2.gz DXNPHHHQGXJSCJ-BFYDXBDKSA-N 2 1 302.462 3.404 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246931654 1104742008 /nfs/dbraw/zinc/74/20/08/1104742008.db2.gz BKZOLBKWZYXTCH-QXGSTGNESA-N 2 1 320.452 3.336 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246931654 1104742014 /nfs/dbraw/zinc/74/20/14/1104742014.db2.gz BKZOLBKWZYXTCH-QXGSTGNESA-N 2 1 320.452 3.336 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246936344 1104742444 /nfs/dbraw/zinc/74/24/44/1104742444.db2.gz HSNUDHNQDBLBLV-HOJAQTOUSA-N 3 1 319.537 3.153 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933770 1104742619 /nfs/dbraw/zinc/74/26/19/1104742619.db2.gz KRODNIBCQPILFX-IEBWSBKVSA-N 3 1 319.537 3.153 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938331 1104744067 /nfs/dbraw/zinc/74/40/67/1104744067.db2.gz PCOOEAPMOBNZPX-IRXDYDNUSA-N 2 1 324.509 3.351 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246942702 1104745776 /nfs/dbraw/zinc/74/57/76/1104745776.db2.gz IFRPEOGSOLBBCJ-CBNQQXHVSA-N 2 1 315.505 3.110 20 0 DGADMP CC1(C)C[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CO1 ZINC001246946191 1104746661 /nfs/dbraw/zinc/74/66/61/1104746661.db2.gz JNFRLEDNBNIJKT-KRWDZBQOSA-N 2 1 322.880 3.462 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CO1 ZINC001246946191 1104746665 /nfs/dbraw/zinc/74/66/65/1104746665.db2.gz JNFRLEDNBNIJKT-KRWDZBQOSA-N 2 1 322.880 3.462 20 0 DGADMP CC(C)(C)C[N@@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001246945700 1104747387 /nfs/dbraw/zinc/74/73/87/1104747387.db2.gz ICOOXLBJLYHJOC-QGZVFWFLSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)C1CCNCC1 ZINC001246945700 1104747393 /nfs/dbraw/zinc/74/73/93/1104747393.db2.gz ICOOXLBJLYHJOC-QGZVFWFLSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)C1CCNCC1 ZINC001246945700 1104747400 /nfs/dbraw/zinc/74/74/00/1104747400.db2.gz ICOOXLBJLYHJOC-QGZVFWFLSA-N 2 1 307.526 3.009 20 0 DGADMP CCOC(=O)C[N@@H+](C1CCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246949272 1104748312 /nfs/dbraw/zinc/74/83/12/1104748312.db2.gz OCADFMMIGFOSQR-UHFFFAOYSA-N 2 1 322.493 3.107 20 0 DGADMP CCOCC[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001246949641 1104749610 /nfs/dbraw/zinc/74/96/10/1104749610.db2.gz JXMJAFNSECFICT-HNNXBMFYSA-N 2 1 324.896 3.362 20 0 DGADMP COc1ccc(C[N@@H+]([C@@H]2CC[C@H](C)C2)C2CC[NH2+]CC2)cc1 ZINC001246953407 1104750974 /nfs/dbraw/zinc/75/09/74/1104750974.db2.gz NOKNRWBAKJQBAO-MAUKXSAKSA-N 2 1 302.462 3.438 20 0 DGADMP CCOCC[N@@H+]([C@@H](C)Cc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246952117 1104751286 /nfs/dbraw/zinc/75/12/86/1104751286.db2.gz YHUBEVAVRCCFHQ-KRWDZBQOSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]([C@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246960049 1104752881 /nfs/dbraw/zinc/75/28/81/1104752881.db2.gz LNIWSBDRQHMLNJ-GOSISDBHSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]([C@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246960049 1104752886 /nfs/dbraw/zinc/75/28/86/1104752886.db2.gz LNIWSBDRQHMLNJ-GOSISDBHSA-N 2 1 320.452 3.256 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246965651 1104753835 /nfs/dbraw/zinc/75/38/35/1104753835.db2.gz HPCLUMCKUDEXSX-ZIFCJYIRSA-N 2 1 317.477 3.236 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970938 1104755544 /nfs/dbraw/zinc/75/55/44/1104755544.db2.gz CVIRYWUMXWTKLX-ACJLOTCBSA-N 2 1 304.865 3.271 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3cccc(C)n3)C2)C[C@H](CC)[NH2+]1 ZINC001246972449 1104756916 /nfs/dbraw/zinc/75/69/16/1104756916.db2.gz IFTJGIYTXPNYQU-MHORFTMASA-N 2 1 317.477 3.152 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246974736 1104757509 /nfs/dbraw/zinc/75/75/09/1104757509.db2.gz RPLVJOZGCYNMRA-BBWFWOEESA-N 2 1 317.477 3.010 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CS2 ZINC001246975006 1104758390 /nfs/dbraw/zinc/75/83/90/1104758390.db2.gz RMSSEWDTONSUNZ-RHSMWYFYSA-N 2 1 302.487 3.167 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246974738 1104758402 /nfs/dbraw/zinc/75/84/02/1104758402.db2.gz RPLVJOZGCYNMRA-GVDBMIGSSA-N 2 1 317.477 3.010 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246994398 1104767456 /nfs/dbraw/zinc/76/74/56/1104767456.db2.gz PTEHZICPBMCUGC-HBUWYVDXSA-N 2 1 316.445 3.139 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(Cc4ccccc4N3)CC1)C2 ZINC001246999978 1104770127 /nfs/dbraw/zinc/77/01/27/1104770127.db2.gz DNQDXUOYXNGHFX-BCDXTJNWSA-N 2 1 311.473 3.114 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001247000888 1104771760 /nfs/dbraw/zinc/77/17/60/1104771760.db2.gz OLKPHBUJNAVNHB-OAHLLOKOSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001247000401 1104771896 /nfs/dbraw/zinc/77/18/96/1104771896.db2.gz MAVIAFURYBFZHT-BQFCYCMXSA-N 2 1 302.462 3.089 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001247003403 1104773091 /nfs/dbraw/zinc/77/30/91/1104773091.db2.gz VRYJHJQSEMQCNH-MSOLQXFVSA-N 2 1 314.473 3.377 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247004365 1104773107 /nfs/dbraw/zinc/77/31/07/1104773107.db2.gz MCJPFALOLXUPAR-KRWDZBQOSA-N 2 1 321.468 3.150 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006618 1104774605 /nfs/dbraw/zinc/77/46/05/1104774605.db2.gz VGAVTRILPUKRIZ-JHCVGGGNSA-N 2 1 319.880 3.452 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006618 1104774608 /nfs/dbraw/zinc/77/46/08/1104774608.db2.gz VGAVTRILPUKRIZ-JHCVGGGNSA-N 2 1 319.880 3.452 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010907 1104775064 /nfs/dbraw/zinc/77/50/64/1104775064.db2.gz WPQDSJJPDSDUIG-FZKCQIBNSA-N 2 1 319.880 3.134 20 0 DGADMP CC[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010907 1104775067 /nfs/dbraw/zinc/77/50/67/1104775067.db2.gz WPQDSJJPDSDUIG-FZKCQIBNSA-N 2 1 319.880 3.134 20 0 DGADMP Cc1c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ccnc1Cl ZINC001275557978 1104808351 /nfs/dbraw/zinc/80/83/51/1104808351.db2.gz AQTKPCBJMGKFCI-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590300 1104823261 /nfs/dbraw/zinc/82/32/61/1104823261.db2.gz BABMMKMQYNWQLH-IBGZPJMESA-N 2 1 313.445 3.181 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590300 1104823271 /nfs/dbraw/zinc/82/32/71/1104823271.db2.gz BABMMKMQYNWQLH-IBGZPJMESA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590300 1104823279 /nfs/dbraw/zinc/82/32/79/1104823279.db2.gz BABMMKMQYNWQLH-IBGZPJMESA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590300 1104823290 /nfs/dbraw/zinc/82/32/90/1104823290.db2.gz BABMMKMQYNWQLH-IBGZPJMESA-N 2 1 313.445 3.181 20 0 DGADMP Fc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275650759 1104847735 /nfs/dbraw/zinc/84/77/35/1104847735.db2.gz WFXBNUWZFFCUAO-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275650759 1104847741 /nfs/dbraw/zinc/84/77/41/1104847741.db2.gz WFXBNUWZFFCUAO-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275650759 1104847749 /nfs/dbraw/zinc/84/77/49/1104847749.db2.gz WFXBNUWZFFCUAO-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(F)cnc3Cl)CC2)C1 ZINC001275673818 1104858196 /nfs/dbraw/zinc/85/81/96/1104858196.db2.gz LJRPTHFLJFKCJD-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP CCCOc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275700699 1104870436 /nfs/dbraw/zinc/87/04/36/1104870436.db2.gz PGROCKQVAPYWGI-CALCHBBNSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275700699 1104870444 /nfs/dbraw/zinc/87/04/44/1104870444.db2.gz PGROCKQVAPYWGI-CALCHBBNSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275700699 1104870451 /nfs/dbraw/zinc/87/04/51/1104870451.db2.gz PGROCKQVAPYWGI-CALCHBBNSA-N 2 1 302.462 3.249 20 0 DGADMP COc1cc(C)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275803227 1104914925 /nfs/dbraw/zinc/91/49/25/1104914925.db2.gz XEXYOAYLXJKGHX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275803227 1104914929 /nfs/dbraw/zinc/91/49/29/1104914929.db2.gz XEXYOAYLXJKGHX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275803227 1104914933 /nfs/dbraw/zinc/91/49/33/1104914933.db2.gz XEXYOAYLXJKGHX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275803227 1104914937 /nfs/dbraw/zinc/91/49/37/1104914937.db2.gz XEXYOAYLXJKGHX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP [NH3+]CCC[C@@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC001247507474 1104915206 /nfs/dbraw/zinc/91/52/06/1104915206.db2.gz KRFDTQSIPKNITE-MRXNPFEDSA-N 2 1 324.384 3.268 20 0 DGADMP [NH3+]CCC[C@@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001247507188 1104915270 /nfs/dbraw/zinc/91/52/70/1104915270.db2.gz JDUQAOWGNWNRAN-MRXNPFEDSA-N 2 1 308.385 3.142 20 0 DGADMP c1c[nH]c(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001275847048 1104931275 /nfs/dbraw/zinc/93/12/75/1104931275.db2.gz KIKLWUNKOVJLND-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP c1c[nH]c(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001275847048 1104931278 /nfs/dbraw/zinc/93/12/78/1104931278.db2.gz KIKLWUNKOVJLND-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP Cc1ccsc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275859347 1104934620 /nfs/dbraw/zinc/93/46/20/1104934620.db2.gz JAFBCSDTERMWAP-UHFFFAOYSA-N 2 1 315.486 3.483 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc3sccc3c2)no1 ZINC001247698878 1104958833 /nfs/dbraw/zinc/95/88/33/1104958833.db2.gz PGNVIGBCHCSFDZ-GFCCVEGCSA-N 2 1 302.403 3.080 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c2ccccc21 ZINC001275959800 1104968410 /nfs/dbraw/zinc/96/84/10/1104968410.db2.gz HIKAIKAHUNNVAK-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c2ccccc21 ZINC001275959800 1104968414 /nfs/dbraw/zinc/96/84/14/1104968414.db2.gz HIKAIKAHUNNVAK-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c2ccccc21 ZINC001275959800 1104968416 /nfs/dbraw/zinc/96/84/16/1104968416.db2.gz HIKAIKAHUNNVAK-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1OC ZINC001275967842 1104971612 /nfs/dbraw/zinc/97/16/12/1104971612.db2.gz YURBULBYENBCKA-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(C)cc1O ZINC001275971589 1104973683 /nfs/dbraw/zinc/97/36/83/1104973683.db2.gz PBKNQQSVVAJIIE-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)cc1O ZINC001275971589 1104973686 /nfs/dbraw/zinc/97/36/86/1104973686.db2.gz PBKNQQSVVAJIIE-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)cc1O ZINC001275971589 1104973688 /nfs/dbraw/zinc/97/36/88/1104973688.db2.gz PBKNQQSVVAJIIE-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP C[N@H+]1CCC[C@]2(CCCN(Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001275984393 1104977884 /nfs/dbraw/zinc/97/78/84/1104977884.db2.gz MOUOHDSMXKBQGO-IBGZPJMESA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001275984393 1104977896 /nfs/dbraw/zinc/97/78/96/1104977896.db2.gz MOUOHDSMXKBQGO-IBGZPJMESA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001275984393 1104977901 /nfs/dbraw/zinc/97/79/01/1104977901.db2.gz MOUOHDSMXKBQGO-IBGZPJMESA-N 2 1 313.445 3.181 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CC[NH+](Cc4cc[nH]c4)CC3)C2)c1 ZINC001276101644 1105018047 /nfs/dbraw/zinc/01/80/47/1105018047.db2.gz DYDPDKFGQXEBQG-UHFFFAOYSA-N 2 1 312.461 3.221 20 0 DGADMP COc1cc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)ccc1F ZINC001276187266 1105042794 /nfs/dbraw/zinc/04/27/94/1105042794.db2.gz AXKUOHIMLZYIDO-SFHVURJKSA-N 2 1 306.425 3.142 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276224079 1105053454 /nfs/dbraw/zinc/05/34/54/1105053454.db2.gz XHQPRMPHRQDDCR-UHFFFAOYSA-N 2 1 317.477 3.095 20 0 DGADMP Cn1cc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001276223779 1105053755 /nfs/dbraw/zinc/05/37/55/1105053755.db2.gz VSWWHMLXVLKZHG-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP Cc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276257296 1105065586 /nfs/dbraw/zinc/06/55/86/1105065586.db2.gz GBPPPLRYUCPOFV-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1Cl ZINC001248194833 1105065753 /nfs/dbraw/zinc/06/57/53/1105065753.db2.gz OMAZZOUDQLCYRU-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2n1CCC2 ZINC001248824470 1105171528 /nfs/dbraw/zinc/17/15/28/1105171528.db2.gz OLSVXZWYKWBYAV-ZWKOTPCHSA-N 2 1 301.478 3.273 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248824470 1105171531 /nfs/dbraw/zinc/17/15/31/1105171531.db2.gz OLSVXZWYKWBYAV-ZWKOTPCHSA-N 2 1 301.478 3.273 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2n1CCC2 ZINC001248824470 1105171533 /nfs/dbraw/zinc/17/15/33/1105171533.db2.gz OLSVXZWYKWBYAV-ZWKOTPCHSA-N 2 1 301.478 3.273 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001249328005 1105269193 /nfs/dbraw/zinc/26/91/93/1105269193.db2.gz OWGQJOLPCDMXGI-KRWDZBQOSA-N 2 1 322.412 3.198 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1Nc1c[nH+]ccc1N1CCCC1 ZINC001249587621 1105324400 /nfs/dbraw/zinc/32/44/00/1105324400.db2.gz XPMMGALPBNPLIT-UHFFFAOYSA-N 2 1 308.307 3.261 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001250113482 1105444860 /nfs/dbraw/zinc/44/48/60/1105444860.db2.gz OSHHRJWYRGNYJN-UHFFFAOYSA-N 2 1 306.425 3.060 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)cc[nH+]1 ZINC001137285975 1105471544 /nfs/dbraw/zinc/47/15/44/1105471544.db2.gz QVTZPUJULDHPCB-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP CCCC[NH+]1CCC(N(C)Cc2[nH]nc3ccccc32)CC1 ZINC001137351763 1105496048 /nfs/dbraw/zinc/49/60/48/1105496048.db2.gz IQBWXLZVXFDSEU-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C[C@H](C)O)CC3)C2)cc1 ZINC001251958917 1105714775 /nfs/dbraw/zinc/71/47/75/1105714775.db2.gz PLEGSETVJHQDOQ-SFHVURJKSA-N 2 1 316.489 3.054 20 0 DGADMP O[C@H](C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1)c1ccccc1 ZINC001251985983 1105718870 /nfs/dbraw/zinc/71/88/70/1105718870.db2.gz QOPWYUOTXQVGRT-LJQANCHMSA-N 2 1 314.473 3.060 20 0 DGADMP O[C@H](C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)c1ccccc1 ZINC001251985983 1105718874 /nfs/dbraw/zinc/71/88/74/1105718874.db2.gz QOPWYUOTXQVGRT-LJQANCHMSA-N 2 1 314.473 3.060 20 0 DGADMP C[N@H+](C[C@@H](O)c1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001251993367 1105720432 /nfs/dbraw/zinc/72/04/32/1105720432.db2.gz MYTHADNZNVZLAJ-HXUWFJFHSA-N 2 1 316.489 3.449 20 0 DGADMP C[N@@H+](C[C@@H](O)c1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001251993367 1105720437 /nfs/dbraw/zinc/72/04/37/1105720437.db2.gz MYTHADNZNVZLAJ-HXUWFJFHSA-N 2 1 316.489 3.449 20 0 DGADMP CCCC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001252119983 1105743137 /nfs/dbraw/zinc/74/31/37/1105743137.db2.gz KUJJWHKOMQPEHY-YZGWKJHDSA-N 2 1 318.505 3.285 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001252120324 1105743328 /nfs/dbraw/zinc/74/33/28/1105743328.db2.gz SVAFLRRPHZLBJV-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP CCCC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001252119982 1105743355 /nfs/dbraw/zinc/74/33/55/1105743355.db2.gz KUJJWHKOMQPEHY-HOJAQTOUSA-N 2 1 318.505 3.285 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252780046 1105829807 /nfs/dbraw/zinc/82/98/07/1105829807.db2.gz MFCYLAQXLQBLBG-AEFFLSMTSA-N 2 1 320.477 3.117 20 0 DGADMP C[NH+]1CCC([NH2+]C(C)(C)c2cccc(Br)c2)CC1 ZINC001256200340 1105843485 /nfs/dbraw/zinc/84/34/85/1105843485.db2.gz RLQIQOYYBFETPW-UHFFFAOYSA-N 2 1 311.267 3.368 20 0 DGADMP CCC[C@@H]1CCCC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926995 1105855299 /nfs/dbraw/zinc/85/52/99/1105855299.db2.gz DCHAHYQPYZCOKU-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@@H]1CCCC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926995 1105855305 /nfs/dbraw/zinc/85/53/05/1105855305.db2.gz DCHAHYQPYZCOKU-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@@H]1CCCC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252926995 1105855311 /nfs/dbraw/zinc/85/53/11/1105855311.db2.gz DCHAHYQPYZCOKU-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@@H]1CCCC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252926995 1105855316 /nfs/dbraw/zinc/85/53/16/1105855316.db2.gz DCHAHYQPYZCOKU-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP CC(C)([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252942218 1105858347 /nfs/dbraw/zinc/85/83/47/1105858347.db2.gz SHQJLPABMULXTL-OAQYLSRUSA-N 2 1 324.468 3.148 20 0 DGADMP CC(C)([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252942218 1105858353 /nfs/dbraw/zinc/85/83/53/1105858353.db2.gz SHQJLPABMULXTL-OAQYLSRUSA-N 2 1 324.468 3.148 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCC1 ZINC001253407160 1105936333 /nfs/dbraw/zinc/93/63/33/1105936333.db2.gz FQTNOVXPXUWHKA-DLBZAZTESA-N 2 1 308.441 3.006 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001253406477 1105936490 /nfs/dbraw/zinc/93/64/90/1105936490.db2.gz MPAGRMBPYICIOS-HOTGVXAUSA-N 2 1 310.869 3.130 20 0 DGADMP CC(C)(C)[C@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001253750629 1105980084 /nfs/dbraw/zinc/98/00/84/1105980084.db2.gz BSROFNJLQJNFHQ-QGZVFWFLSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1CCCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254034501 1106011142 /nfs/dbraw/zinc/01/11/42/1106011142.db2.gz LMPRSRXCAHDVEY-SFHVURJKSA-N 2 1 316.489 3.136 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCCOC2)CC1 ZINC001254373206 1106061771 /nfs/dbraw/zinc/06/17/71/1106061771.db2.gz YGSJETRTSJRNBM-BZSNNMDCSA-N 2 1 306.425 3.077 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001254485930 1106079677 /nfs/dbraw/zinc/07/96/77/1106079677.db2.gz NZLFMUPRBNLSLF-MSOLQXFVSA-N 2 1 320.477 3.048 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254508820 1106080420 /nfs/dbraw/zinc/08/04/20/1106080420.db2.gz MJBITOGILKWSRK-OAHLLOKOSA-N 2 1 311.267 3.331 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCCc2cncc(C(F)(F)F)c2)CC1 ZINC001254497441 1106081533 /nfs/dbraw/zinc/08/15/33/1106081533.db2.gz JEQQIAOGGMGFHG-OAHLLOKOSA-N 2 1 315.383 3.107 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001254499823 1106082765 /nfs/dbraw/zinc/08/27/65/1106082765.db2.gz BTGAGSIQFZQHFQ-KRWDZBQOSA-N 2 1 318.461 3.216 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001254499182 1106083418 /nfs/dbraw/zinc/08/34/18/1106083418.db2.gz BOSIDKVYPVFMGG-LBPRGKRZSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001254499182 1106083423 /nfs/dbraw/zinc/08/34/23/1106083423.db2.gz BOSIDKVYPVFMGG-LBPRGKRZSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H](n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001254501023 1106083524 /nfs/dbraw/zinc/08/35/24/1106083524.db2.gz OZHXETQDBIJGJK-HNNXBMFYSA-N 2 1 305.853 3.453 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](CCO)c2cccc3ccccc32)CC1 ZINC001254505227 1106085954 /nfs/dbraw/zinc/08/59/54/1106085954.db2.gz CWYVFMFFNUTUHH-FXAWDEMLSA-N 2 1 312.457 3.337 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254512399 1106088476 /nfs/dbraw/zinc/08/84/76/1106088476.db2.gz NAJASCKORWXPMB-KRWDZBQOSA-N 2 1 302.462 3.092 20 0 DGADMP C[N@H+]1CCC[C@H](n2c3ccccc3nc2C2CC[NH2+]CC2)CC1 ZINC001254515652 1106088966 /nfs/dbraw/zinc/08/89/66/1106088966.db2.gz AGGQGQAPZDOCBX-INIZCTEOSA-N 2 1 312.461 3.160 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001254522135 1106090562 /nfs/dbraw/zinc/09/05/62/1106090562.db2.gz CJIBEGBPJWUCGP-KRWDZBQOSA-N 2 1 320.452 3.291 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1OC ZINC001254523658 1106093353 /nfs/dbraw/zinc/09/33/53/1106093353.db2.gz QTMDPAMYQGLGTB-IAGOWNOFSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1OC ZINC001254523658 1106093358 /nfs/dbraw/zinc/09/33/58/1106093358.db2.gz QTMDPAMYQGLGTB-IAGOWNOFSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1OC ZINC001254523658 1106093364 /nfs/dbraw/zinc/09/33/64/1106093364.db2.gz QTMDPAMYQGLGTB-IAGOWNOFSA-N 2 1 318.461 3.325 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001254531379 1106095699 /nfs/dbraw/zinc/09/56/99/1106095699.db2.gz KGOOEGNTPQPBJH-RDJZCZTQSA-N 2 1 308.466 3.476 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001254531379 1106095703 /nfs/dbraw/zinc/09/57/03/1106095703.db2.gz KGOOEGNTPQPBJH-RDJZCZTQSA-N 2 1 308.466 3.476 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001254531379 1106095709 /nfs/dbraw/zinc/09/57/09/1106095709.db2.gz KGOOEGNTPQPBJH-RDJZCZTQSA-N 2 1 308.466 3.476 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254531803 1106095741 /nfs/dbraw/zinc/09/57/41/1106095741.db2.gz MISSUHCTHBQIEM-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254531803 1106095742 /nfs/dbraw/zinc/09/57/42/1106095742.db2.gz MISSUHCTHBQIEM-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254531803 1106095749 /nfs/dbraw/zinc/09/57/49/1106095749.db2.gz MISSUHCTHBQIEM-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001254533910 1106096105 /nfs/dbraw/zinc/09/61/05/1106096105.db2.gz RELGMSLYMOGALS-MRXNPFEDSA-N 2 1 318.436 3.205 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001254533910 1106096109 /nfs/dbraw/zinc/09/61/09/1106096109.db2.gz RELGMSLYMOGALS-MRXNPFEDSA-N 2 1 318.436 3.205 20 0 DGADMP CCN(CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255119559 1106183904 /nfs/dbraw/zinc/18/39/04/1106183904.db2.gz VQCYJUNXWYUTTH-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP O=C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255126464 1106184896 /nfs/dbraw/zinc/18/48/96/1106184896.db2.gz MNFLYCLMQUGFGW-REPLKXPHSA-N 2 1 312.457 3.283 20 0 DGADMP O=C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255126464 1106184900 /nfs/dbraw/zinc/18/49/00/1106184900.db2.gz MNFLYCLMQUGFGW-REPLKXPHSA-N 2 1 312.457 3.283 20 0 DGADMP COC1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135246 1106186209 /nfs/dbraw/zinc/18/62/09/1106186209.db2.gz HVHJOUWQKJETBR-JHNJKDCUSA-N 2 1 314.473 3.197 20 0 DGADMP [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131294 1106186645 /nfs/dbraw/zinc/18/66/45/1106186645.db2.gz ZPEYZYUXRJNOJK-FSGKZVOOSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255131294 1106186647 /nfs/dbraw/zinc/18/66/47/1106186647.db2.gz ZPEYZYUXRJNOJK-FSGKZVOOSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131294 1106186650 /nfs/dbraw/zinc/18/66/50/1106186650.db2.gz ZPEYZYUXRJNOJK-FSGKZVOOSA-N 3 1 313.489 3.042 20 0 DGADMP C[C@@]1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001255137664 1106187565 /nfs/dbraw/zinc/18/75/65/1106187565.db2.gz ZXHAHWWSNHPRMD-YSTOQKLRSA-N 2 1 314.473 3.341 20 0 DGADMP C[N@@H+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255137427 1106187675 /nfs/dbraw/zinc/18/76/75/1106187675.db2.gz RIEFIOIEMNVORQ-PMOLBWCYSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137427 1106187681 /nfs/dbraw/zinc/18/76/81/1106187681.db2.gz RIEFIOIEMNVORQ-PMOLBWCYSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137427 1106187685 /nfs/dbraw/zinc/18/76/85/1106187685.db2.gz RIEFIOIEMNVORQ-PMOLBWCYSA-N 2 1 314.473 3.293 20 0 DGADMP CSCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147470 1106190892 /nfs/dbraw/zinc/19/08/92/1106190892.db2.gz AAWJQRVIYFMVLE-BCDXTJNWSA-N 2 1 304.503 3.477 20 0 DGADMP CSCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255147470 1106190896 /nfs/dbraw/zinc/19/08/96/1106190896.db2.gz AAWJQRVIYFMVLE-BCDXTJNWSA-N 2 1 304.503 3.477 20 0 DGADMP CSCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255147470 1106190898 /nfs/dbraw/zinc/19/08/98/1106190898.db2.gz AAWJQRVIYFMVLE-BCDXTJNWSA-N 2 1 304.503 3.477 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@@H]4CCSC4)C3)C2)cc1 ZINC001255290930 1106216572 /nfs/dbraw/zinc/21/65/72/1106216572.db2.gz NVHAKTANMDWMDS-MSOLQXFVSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@@H]4CCSC4)C3)C2)cc1 ZINC001255290930 1106216574 /nfs/dbraw/zinc/21/65/74/1106216574.db2.gz NVHAKTANMDWMDS-MSOLQXFVSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@@H]4CCSC4)C3)C2)cc1 ZINC001255290930 1106216577 /nfs/dbraw/zinc/21/65/77/1106216577.db2.gz NVHAKTANMDWMDS-MSOLQXFVSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@H]4CCSC4)C3)CC2)cc1 ZINC001255289650 1106216611 /nfs/dbraw/zinc/21/66/11/1106216611.db2.gz ORNZBWPEKTYERY-SFHVURJKSA-N 2 1 316.514 3.480 20 0 DGADMP CCCC[C@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001255315695 1106221028 /nfs/dbraw/zinc/22/10/28/1106221028.db2.gz OEUNTNBNLJESQQ-IHPCNDPISA-N 2 1 321.553 3.494 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](NCCC[NH+]3CCCC3)CC2)cc1 ZINC001255375552 1106235936 /nfs/dbraw/zinc/23/59/36/1106235936.db2.gz FPVGOBYTZZDCEI-FQEVSTJZSA-N 2 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC001255375552 1106235940 /nfs/dbraw/zinc/23/59/40/1106235940.db2.gz FPVGOBYTZZDCEI-FQEVSTJZSA-N 3 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC001255375552 1106235943 /nfs/dbraw/zinc/23/59/43/1106235943.db2.gz FPVGOBYTZZDCEI-FQEVSTJZSA-N 3 1 315.505 3.117 20 0 DGADMP CCCN(CCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383349 1106238017 /nfs/dbraw/zinc/23/80/17/1106238017.db2.gz HWIRRFMHPYNDKS-LJQANCHMSA-N 2 1 303.494 3.102 20 0 DGADMP CCC[N@H+](CCC[NH3+])[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383349 1106238020 /nfs/dbraw/zinc/23/80/20/1106238020.db2.gz HWIRRFMHPYNDKS-LJQANCHMSA-N 3 1 303.494 3.102 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383349 1106238021 /nfs/dbraw/zinc/23/80/21/1106238021.db2.gz HWIRRFMHPYNDKS-LJQANCHMSA-N 3 1 303.494 3.102 20 0 DGADMP CCC[NH+](CCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383349 1106238022 /nfs/dbraw/zinc/23/80/22/1106238022.db2.gz HWIRRFMHPYNDKS-LJQANCHMSA-N 3 1 303.494 3.102 20 0 DGADMP CCC[NH+](CCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383349 1106238025 /nfs/dbraw/zinc/23/80/25/1106238025.db2.gz HWIRRFMHPYNDKS-LJQANCHMSA-N 3 1 303.494 3.102 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC001255395810 1106240865 /nfs/dbraw/zinc/24/08/65/1106240865.db2.gz DRSICQNJPPGLQW-UHOSZYNNSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397017 1106241738 /nfs/dbraw/zinc/24/17/38/1106241738.db2.gz CUUHFOFDPIOZRU-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397017 1106241740 /nfs/dbraw/zinc/24/17/40/1106241740.db2.gz CUUHFOFDPIOZRU-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397017 1106241742 /nfs/dbraw/zinc/24/17/42/1106241742.db2.gz CUUHFOFDPIOZRU-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397017 1106241744 /nfs/dbraw/zinc/24/17/44/1106241744.db2.gz CUUHFOFDPIOZRU-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1COCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398291 1106243570 /nfs/dbraw/zinc/24/35/70/1106243570.db2.gz JLZPKYHFEDRWSE-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1COCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398291 1106243572 /nfs/dbraw/zinc/24/35/72/1106243572.db2.gz JLZPKYHFEDRWSE-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1COCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398291 1106243575 /nfs/dbraw/zinc/24/35/75/1106243575.db2.gz JLZPKYHFEDRWSE-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C)[C@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255401853 1106244733 /nfs/dbraw/zinc/24/47/33/1106244733.db2.gz DBSYHYIUOFPQQN-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404551 1106244879 /nfs/dbraw/zinc/24/48/79/1106244879.db2.gz KCXGRCKKLVEEDZ-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1COCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404551 1106244881 /nfs/dbraw/zinc/24/48/81/1106244881.db2.gz KCXGRCKKLVEEDZ-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404551 1106244883 /nfs/dbraw/zinc/24/48/83/1106244883.db2.gz KCXGRCKKLVEEDZ-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404551 1106244886 /nfs/dbraw/zinc/24/48/86/1106244886.db2.gz KCXGRCKKLVEEDZ-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404552 1106245427 /nfs/dbraw/zinc/24/54/27/1106245427.db2.gz KCXGRCKKLVEEDZ-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404552 1106245429 /nfs/dbraw/zinc/24/54/29/1106245429.db2.gz KCXGRCKKLVEEDZ-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404552 1106245434 /nfs/dbraw/zinc/24/54/34/1106245434.db2.gz KCXGRCKKLVEEDZ-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404552 1106245436 /nfs/dbraw/zinc/24/54/36/1106245436.db2.gz KCXGRCKKLVEEDZ-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1COCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407502 1106247011 /nfs/dbraw/zinc/24/70/11/1106247011.db2.gz AWSAIMLYPUJLSS-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@@H]1COCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407502 1106247014 /nfs/dbraw/zinc/24/70/14/1106247014.db2.gz AWSAIMLYPUJLSS-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@@H]1COCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407502 1106247019 /nfs/dbraw/zinc/24/70/19/1106247019.db2.gz AWSAIMLYPUJLSS-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@@H]1COCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407502 1106247023 /nfs/dbraw/zinc/24/70/23/1106247023.db2.gz AWSAIMLYPUJLSS-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@H]1COCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407504 1106247064 /nfs/dbraw/zinc/24/70/64/1106247064.db2.gz AWSAIMLYPUJLSS-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@H]1COCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407504 1106247066 /nfs/dbraw/zinc/24/70/66/1106247066.db2.gz AWSAIMLYPUJLSS-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@H]1COCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407504 1106247070 /nfs/dbraw/zinc/24/70/70/1106247070.db2.gz AWSAIMLYPUJLSS-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@H]1COCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407504 1106247072 /nfs/dbraw/zinc/24/70/72/1106247072.db2.gz AWSAIMLYPUJLSS-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP Cc1nc2c(n1[C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C[NH2+]CC2 ZINC001255407918 1106247408 /nfs/dbraw/zinc/24/74/08/1106247408.db2.gz GCZGDRMJKTWVTL-GOSISDBHSA-N 2 1 324.472 3.064 20 0 DGADMP C[N@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001255440435 1106251027 /nfs/dbraw/zinc/25/10/27/1106251027.db2.gz BUUNQNWZJFKKSO-OAHLLOKOSA-N 2 1 301.409 3.124 20 0 DGADMP COC1CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255453270 1106252288 /nfs/dbraw/zinc/25/22/88/1106252288.db2.gz BNLCXIRMJCMFKV-POSCCBCBSA-N 2 1 317.477 3.111 20 0 DGADMP COC1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001255459956 1106253550 /nfs/dbraw/zinc/25/35/50/1106253550.db2.gz YTSFCLIUCZFOKL-UHFFFAOYSA-N 2 1 306.494 3.284 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC(C)(C)C1 ZINC001255545332 1106266996 /nfs/dbraw/zinc/26/69/96/1106266996.db2.gz GQQZRLFAIWDDJC-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC(C)(C)C1 ZINC001255545332 1106267000 /nfs/dbraw/zinc/26/70/00/1106267000.db2.gz GQQZRLFAIWDDJC-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC(C)(C)C1 ZINC001255545332 1106267005 /nfs/dbraw/zinc/26/70/05/1106267005.db2.gz GQQZRLFAIWDDJC-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001255643554 1106282742 /nfs/dbraw/zinc/28/27/42/1106282742.db2.gz RBIPZNTXKHPGKX-NSHDSACASA-N 2 1 304.331 3.416 20 0 DGADMP Cc1ccc[nH+]c1N([C@@H](C)CC(F)(F)F)C1CC[NH2+]CC1 ZINC001255665025 1106290454 /nfs/dbraw/zinc/29/04/54/1106290454.db2.gz UJGSHIXNCWWKAK-LBPRGKRZSA-N 2 1 301.356 3.289 20 0 DGADMP Cc1cccc(C(C)(C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001255671744 1106290918 /nfs/dbraw/zinc/29/09/18/1106290918.db2.gz SASFIDOBGQVVBP-ALOPSCKCSA-N 2 1 301.478 3.273 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255677483 1106292411 /nfs/dbraw/zinc/29/24/11/1106292411.db2.gz VJQZHUWYTUQXJJ-NZKYFMOASA-N 2 1 315.461 3.311 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255677483 1106292413 /nfs/dbraw/zinc/29/24/13/1106292413.db2.gz VJQZHUWYTUQXJJ-NZKYFMOASA-N 2 1 315.461 3.311 20 0 DGADMP C[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001255681991 1106293801 /nfs/dbraw/zinc/29/38/01/1106293801.db2.gz HFOOXAUJWYOCKX-BJYDCXRDSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001255681991 1106293804 /nfs/dbraw/zinc/29/38/04/1106293804.db2.gz HFOOXAUJWYOCKX-BJYDCXRDSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001255681991 1106293807 /nfs/dbraw/zinc/29/38/07/1106293807.db2.gz HFOOXAUJWYOCKX-BJYDCXRDSA-N 2 1 314.473 3.464 20 0 DGADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001255681991 1106293810 /nfs/dbraw/zinc/29/38/10/1106293810.db2.gz HFOOXAUJWYOCKX-BJYDCXRDSA-N 2 1 314.473 3.464 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]2C1 ZINC001255724954 1106302359 /nfs/dbraw/zinc/30/23/59/1106302359.db2.gz VAQCAXSPCQSNTC-LXTVHRRPSA-N 2 1 304.400 3.381 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]2C1 ZINC001255724954 1106302360 /nfs/dbraw/zinc/30/23/60/1106302360.db2.gz VAQCAXSPCQSNTC-LXTVHRRPSA-N 2 1 304.400 3.381 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]2C1 ZINC001255724954 1106302362 /nfs/dbraw/zinc/30/23/62/1106302362.db2.gz VAQCAXSPCQSNTC-LXTVHRRPSA-N 2 1 304.400 3.381 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001255862118 1106331889 /nfs/dbraw/zinc/33/18/89/1106331889.db2.gz DKYMNUJNOVLTRR-HNNXBMFYSA-N 3 1 323.500 3.232 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)n1C ZINC001255940500 1106345587 /nfs/dbraw/zinc/34/55/87/1106345587.db2.gz CKAVVIMJJSEAPR-LBPRGKRZSA-N 2 1 305.388 3.254 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CCO)c1cccc(Cl)c1 ZINC001255942787 1106345236 /nfs/dbraw/zinc/34/52/36/1106345236.db2.gz BAXYPRLZJHYAJZ-YOEHRIQHSA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940372 1106345682 /nfs/dbraw/zinc/34/56/82/1106345682.db2.gz AVANINCUUSKAPG-UYAOXDASSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255940372 1106345684 /nfs/dbraw/zinc/34/56/84/1106345684.db2.gz AVANINCUUSKAPG-UYAOXDASSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940372 1106345685 /nfs/dbraw/zinc/34/56/85/1106345685.db2.gz AVANINCUUSKAPG-UYAOXDASSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001255943370 1106346259 /nfs/dbraw/zinc/34/62/59/1106346259.db2.gz LSMNYDOJFUEROD-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001255943370 1106346262 /nfs/dbraw/zinc/34/62/62/1106346262.db2.gz LSMNYDOJFUEROD-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC001255947674 1106347180 /nfs/dbraw/zinc/34/71/80/1106347180.db2.gz UWPASMZPMVPSSC-ZDUSSCGKSA-N 2 1 300.393 3.498 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](O)c1cc2ccccc2o1 ZINC001255951969 1106348373 /nfs/dbraw/zinc/34/83/73/1106348373.db2.gz LNMLUPGSBUSROY-ZBFHGGJFSA-N 2 1 304.434 3.176 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001255954079 1106349228 /nfs/dbraw/zinc/34/92/28/1106349228.db2.gz RWTMZTZTOVQRHS-ICSRJNTNSA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001255954079 1106349231 /nfs/dbraw/zinc/34/92/31/1106349231.db2.gz RWTMZTZTOVQRHS-ICSRJNTNSA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001255955780 1106350174 /nfs/dbraw/zinc/35/01/74/1106350174.db2.gz DNNCPNBYTHCSJU-SOUVJXGZSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001255955780 1106350180 /nfs/dbraw/zinc/35/01/80/1106350180.db2.gz DNNCPNBYTHCSJU-SOUVJXGZSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001255970762 1106352210 /nfs/dbraw/zinc/35/22/10/1106352210.db2.gz FRHQNMFMCOXJGV-SJLPKXTDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001255970762 1106352212 /nfs/dbraw/zinc/35/22/12/1106352212.db2.gz FRHQNMFMCOXJGV-SJLPKXTDSA-N 2 1 305.466 3.045 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@H](C)CC[NH+](CC)CC)C[C@@H]1C ZINC001255968595 1106352328 /nfs/dbraw/zinc/35/23/28/1106352328.db2.gz CSDGBSNLKOCTKU-BBWFWOEESA-N 2 1 312.498 3.018 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+]([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255973128 1106353093 /nfs/dbraw/zinc/35/30/93/1106353093.db2.gz XWGMYRYKTJLSHR-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073219 1106365010 /nfs/dbraw/zinc/36/50/10/1106365010.db2.gz OZWORNTWIWUFPR-HNNXBMFYSA-N 2 1 300.446 3.111 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073219 1106365013 /nfs/dbraw/zinc/36/50/13/1106365013.db2.gz OZWORNTWIWUFPR-HNNXBMFYSA-N 2 1 300.446 3.111 20 0 DGADMP COc1ccccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256073757 1106365044 /nfs/dbraw/zinc/36/50/44/1106365044.db2.gz CMRLUKBBZSGVBT-IBGZPJMESA-N 2 1 300.446 3.363 20 0 DGADMP C1=CC[C@H](C[NH+]2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)CC1 ZINC001256074193 1106365264 /nfs/dbraw/zinc/36/52/64/1106365264.db2.gz OGYXTYYNQYTZCW-KRWDZBQOSA-N 2 1 317.521 3.024 20 0 DGADMP COc1cccc(C[C@@H](C)[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001256169462 1106383458 /nfs/dbraw/zinc/38/34/58/1106383458.db2.gz KDDQWAOBNXEFQY-OAHLLOKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(C[C@@H](C)[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001256169462 1106383461 /nfs/dbraw/zinc/38/34/61/1106383461.db2.gz KDDQWAOBNXEFQY-OAHLLOKOSA-N 2 1 302.462 3.185 20 0 DGADMP C[NH+]1CCC([N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001256205099 1106391285 /nfs/dbraw/zinc/39/12/85/1106391285.db2.gz PSFCJRBLJSHMPB-UYAOXDASSA-N 2 1 314.473 3.119 20 0 DGADMP C[NH+]1CCC([N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001256205099 1106391289 /nfs/dbraw/zinc/39/12/89/1106391289.db2.gz PSFCJRBLJSHMPB-UYAOXDASSA-N 2 1 314.473 3.119 20 0 DGADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001256366442 1106411030 /nfs/dbraw/zinc/41/10/30/1106411030.db2.gz XQMUQYKUSGARAE-KURKYZTESA-N 2 1 301.478 3.270 20 0 DGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CCC(C)C)CC2)C1 ZINC001256372251 1106411934 /nfs/dbraw/zinc/41/19/34/1106411934.db2.gz JRITXAWFDHQRNV-DLBZAZTESA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256419975 1106419545 /nfs/dbraw/zinc/41/95/45/1106419545.db2.gz AEEDKVSQZDDRIK-AZUAARDMSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256419975 1106419547 /nfs/dbraw/zinc/41/95/47/1106419547.db2.gz AEEDKVSQZDDRIK-AZUAARDMSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256419975 1106419551 /nfs/dbraw/zinc/41/95/51/1106419551.db2.gz AEEDKVSQZDDRIK-AZUAARDMSA-N 2 1 323.484 3.467 20 0 DGADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1F ZINC001256524126 1106432715 /nfs/dbraw/zinc/43/27/15/1106432715.db2.gz SKOWKKCRHYGPFY-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001256535099 1106437040 /nfs/dbraw/zinc/43/70/40/1106437040.db2.gz CQCAMCVNEXCYSC-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001256535099 1106437042 /nfs/dbraw/zinc/43/70/42/1106437042.db2.gz CQCAMCVNEXCYSC-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539445 1106438038 /nfs/dbraw/zinc/43/80/38/1106438038.db2.gz XQJKRTVVDBNUEZ-MJGOQNOKSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540512 1106438081 /nfs/dbraw/zinc/43/80/81/1106438081.db2.gz IQJIUOXQROEOMI-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540512 1106438083 /nfs/dbraw/zinc/43/80/83/1106438083.db2.gz IQJIUOXQROEOMI-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540512 1106438085 /nfs/dbraw/zinc/43/80/85/1106438085.db2.gz IQJIUOXQROEOMI-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001256540512 1106438087 /nfs/dbraw/zinc/43/80/87/1106438087.db2.gz IQJIUOXQROEOMI-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256545863 1106439034 /nfs/dbraw/zinc/43/90/34/1106439034.db2.gz VPHMUWPODTUORU-RMJJICAUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256545863 1106439037 /nfs/dbraw/zinc/43/90/37/1106439037.db2.gz VPHMUWPODTUORU-RMJJICAUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256545863 1106439039 /nfs/dbraw/zinc/43/90/39/1106439039.db2.gz VPHMUWPODTUORU-RMJJICAUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544146 1106439483 /nfs/dbraw/zinc/43/94/83/1106439483.db2.gz WNCCTWSLZXNLNT-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544146 1106439484 /nfs/dbraw/zinc/43/94/84/1106439484.db2.gz WNCCTWSLZXNLNT-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544146 1106439486 /nfs/dbraw/zinc/43/94/86/1106439486.db2.gz WNCCTWSLZXNLNT-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544146 1106439488 /nfs/dbraw/zinc/43/94/88/1106439488.db2.gz WNCCTWSLZXNLNT-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H](C)[C@@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543918 1106439636 /nfs/dbraw/zinc/43/96/36/1106439636.db2.gz VSUUCBPLFYDTTH-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H](C)[C@@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543918 1106439638 /nfs/dbraw/zinc/43/96/38/1106439638.db2.gz VSUUCBPLFYDTTH-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543918 1106439642 /nfs/dbraw/zinc/43/96/42/1106439642.db2.gz VSUUCBPLFYDTTH-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543918 1106439645 /nfs/dbraw/zinc/43/96/45/1106439645.db2.gz VSUUCBPLFYDTTH-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256551893 1106440426 /nfs/dbraw/zinc/44/04/26/1106440426.db2.gz WIWAXRMLOWFIPG-PKOBYXMFSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@H+](CCCO)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551893 1106440427 /nfs/dbraw/zinc/44/04/27/1106440427.db2.gz WIWAXRMLOWFIPG-PKOBYXMFSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551893 1106440430 /nfs/dbraw/zinc/44/04/30/1106440430.db2.gz WIWAXRMLOWFIPG-PKOBYXMFSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551893 1106440431 /nfs/dbraw/zinc/44/04/31/1106440431.db2.gz WIWAXRMLOWFIPG-PKOBYXMFSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551893 1106440434 /nfs/dbraw/zinc/44/04/34/1106440434.db2.gz WIWAXRMLOWFIPG-PKOBYXMFSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1Cc1ccccc1 ZINC001256551644 1106441084 /nfs/dbraw/zinc/44/10/84/1106441084.db2.gz SWWNRCZWJQWIOI-VINWQNLFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256551644 1106441086 /nfs/dbraw/zinc/44/10/86/1106441086.db2.gz SWWNRCZWJQWIOI-VINWQNLFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256551644 1106441088 /nfs/dbraw/zinc/44/10/88/1106441088.db2.gz SWWNRCZWJQWIOI-VINWQNLFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551644 1106441091 /nfs/dbraw/zinc/44/10/91/1106441091.db2.gz SWWNRCZWJQWIOI-VINWQNLFSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551644 1106441094 /nfs/dbraw/zinc/44/10/94/1106441094.db2.gz SWWNRCZWJQWIOI-VINWQNLFSA-N 2 1 302.437 3.472 20 0 DGADMP C[NH2+]CCN([C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256553344 1106442207 /nfs/dbraw/zinc/44/22/07/1106442207.db2.gz FLJAPUZJDNSRGC-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555717 1106443279 /nfs/dbraw/zinc/44/32/79/1106443279.db2.gz VXLFTNBYOYOJEA-SJQORLFUSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555717 1106443280 /nfs/dbraw/zinc/44/32/80/1106443280.db2.gz VXLFTNBYOYOJEA-SJQORLFUSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555717 1106443284 /nfs/dbraw/zinc/44/32/84/1106443284.db2.gz VXLFTNBYOYOJEA-SJQORLFUSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555717 1106443286 /nfs/dbraw/zinc/44/32/86/1106443286.db2.gz VXLFTNBYOYOJEA-SJQORLFUSA-N 2 1 302.437 3.187 20 0 DGADMP COC[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556699 1106443677 /nfs/dbraw/zinc/44/36/77/1106443677.db2.gz GJQJYZQLXFRUED-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556699 1106443679 /nfs/dbraw/zinc/44/36/79/1106443679.db2.gz GJQJYZQLXFRUED-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556699 1106443682 /nfs/dbraw/zinc/44/36/82/1106443682.db2.gz GJQJYZQLXFRUED-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556699 1106443685 /nfs/dbraw/zinc/44/36/85/1106443685.db2.gz GJQJYZQLXFRUED-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP CCO[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560840 1106444664 /nfs/dbraw/zinc/44/46/64/1106444664.db2.gz TYUNEVKJLWQROJ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560840 1106444666 /nfs/dbraw/zinc/44/46/66/1106444666.db2.gz TYUNEVKJLWQROJ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560840 1106444667 /nfs/dbraw/zinc/44/46/67/1106444667.db2.gz TYUNEVKJLWQROJ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560840 1106444669 /nfs/dbraw/zinc/44/46/69/1106444669.db2.gz TYUNEVKJLWQROJ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP Cc1nc2c(n1[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C[NH2+]CC2 ZINC001256561662 1106444790 /nfs/dbraw/zinc/44/47/90/1106444790.db2.gz ZDPMVENIDRGYFP-QAPCUYQASA-N 2 1 324.472 3.063 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001256564101 1106445983 /nfs/dbraw/zinc/44/59/83/1106445983.db2.gz RQTYDFMGUSWQHM-GOSISDBHSA-N 2 1 316.489 3.495 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001256566355 1106447030 /nfs/dbraw/zinc/44/70/30/1106447030.db2.gz GXQKZBCLDHTFCW-UHFFFAOYSA-N 2 1 324.472 3.496 20 0 DGADMP C[N@H+]1CCN(C2CC[NH+](C(C)(C)C)CC2)C[C@@H]1c1ccccc1 ZINC001256571702 1106447493 /nfs/dbraw/zinc/44/74/93/1106447493.db2.gz JOZIUSHWTAEEBI-LJQANCHMSA-N 2 1 315.505 3.238 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001256572815 1106448329 /nfs/dbraw/zinc/44/83/29/1106448329.db2.gz YKDCFLLMVGCLGI-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001256572815 1106448331 /nfs/dbraw/zinc/44/83/31/1106448331.db2.gz YKDCFLLMVGCLGI-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256575943 1106449278 /nfs/dbraw/zinc/44/92/78/1106449278.db2.gz YSNBFNQZJALNFR-UHFFFAOYSA-N 2 1 318.461 3.168 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256575943 1106449281 /nfs/dbraw/zinc/44/92/81/1106449281.db2.gz YSNBFNQZJALNFR-UHFFFAOYSA-N 2 1 318.461 3.168 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576380 1106449520 /nfs/dbraw/zinc/44/95/20/1106449520.db2.gz HXOBQNKKFOIXCY-UHFFFAOYSA-N 2 1 317.521 3.313 20 0 DGADMP OC1CCC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601670 1106451693 /nfs/dbraw/zinc/45/16/93/1106451693.db2.gz WORLETHTVCWHEM-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608605 1106452617 /nfs/dbraw/zinc/45/26/17/1106452617.db2.gz FQIBGFHSFNSMPM-IBGZPJMESA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608605 1106452622 /nfs/dbraw/zinc/45/26/22/1106452622.db2.gz FQIBGFHSFNSMPM-IBGZPJMESA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001256604551 1106452637 /nfs/dbraw/zinc/45/26/37/1106452637.db2.gz SGLKVEIIAUKEPS-FXAWDEMLSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001256604551 1106452641 /nfs/dbraw/zinc/45/26/41/1106452641.db2.gz SGLKVEIIAUKEPS-FXAWDEMLSA-N 2 1 316.489 3.134 20 0 DGADMP CCCO[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611723 1106453632 /nfs/dbraw/zinc/45/36/32/1106453632.db2.gz UZQATSSPLLXCKT-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CCCO[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611723 1106453635 /nfs/dbraw/zinc/45/36/35/1106453635.db2.gz UZQATSSPLLXCKT-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP FC1(F)C[C@@]12CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256611774 1106453763 /nfs/dbraw/zinc/45/37/63/1106453763.db2.gz XWPKTGMGEMQJBG-QGZVFWFLSA-N 2 1 306.400 3.382 20 0 DGADMP FC1(F)C[C@@]12CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256611774 1106453765 /nfs/dbraw/zinc/45/37/65/1106453765.db2.gz XWPKTGMGEMQJBG-QGZVFWFLSA-N 2 1 306.400 3.382 20 0 DGADMP COc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001256620624 1106455146 /nfs/dbraw/zinc/45/51/46/1106455146.db2.gz AUIFIRXZJWIGSM-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001256621608 1106455988 /nfs/dbraw/zinc/45/59/88/1106455988.db2.gz WWBFGORNIFLCSC-IYHXRUFHSA-N 2 1 300.446 3.361 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001256629189 1106456993 /nfs/dbraw/zinc/45/69/93/1106456993.db2.gz ZZOZHHJOXLTDNP-SUTQANCOSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001256629189 1106456996 /nfs/dbraw/zinc/45/69/96/1106456996.db2.gz ZZOZHHJOXLTDNP-SUTQANCOSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256629189 1106456999 /nfs/dbraw/zinc/45/69/99/1106456999.db2.gz ZZOZHHJOXLTDNP-SUTQANCOSA-N 2 1 300.446 3.457 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256635174 1106458981 /nfs/dbraw/zinc/45/89/81/1106458981.db2.gz QVOFOZMMAUNVFB-QGZVFWFLSA-N 2 1 304.478 3.264 20 0 DGADMP COc1cccc2c1CC[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001256654291 1106463509 /nfs/dbraw/zinc/46/35/09/1106463509.db2.gz KVINWZWVEPTRHB-MRXNPFEDSA-N 2 1 311.429 3.089 20 0 DGADMP C[C@H](Cc1ccncc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256731269 1106475324 /nfs/dbraw/zinc/47/53/24/1106475324.db2.gz DNHJOHSOIDMJMU-NSISKUIASA-N 2 1 324.472 3.180 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccccc1Br ZINC001256825797 1106492018 /nfs/dbraw/zinc/49/20/18/1106492018.db2.gz CIKRKWZKSCKCCV-NSHDSACASA-N 2 1 322.250 3.259 20 0 DGADMP C[N@@H+](CCc1cccc(F)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865356 1106500027 /nfs/dbraw/zinc/50/00/27/1106500027.db2.gz ZUHWYGKITSCWRP-UHFFFAOYSA-N 2 1 313.420 3.364 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256897223 1106504887 /nfs/dbraw/zinc/50/48/87/1106504887.db2.gz HJUZCPWWGBWDQD-CEXWTWQISA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256897223 1106504890 /nfs/dbraw/zinc/50/48/90/1106504890.db2.gz HJUZCPWWGBWDQD-CEXWTWQISA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256897223 1106504891 /nfs/dbraw/zinc/50/48/91/1106504891.db2.gz HJUZCPWWGBWDQD-CEXWTWQISA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256897225 1106505269 /nfs/dbraw/zinc/50/52/69/1106505269.db2.gz HJUZCPWWGBWDQD-OTWHNJEPSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256897225 1106505276 /nfs/dbraw/zinc/50/52/76/1106505276.db2.gz HJUZCPWWGBWDQD-OTWHNJEPSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256897225 1106505282 /nfs/dbraw/zinc/50/52/82/1106505282.db2.gz HJUZCPWWGBWDQD-OTWHNJEPSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC001256900129 1106506018 /nfs/dbraw/zinc/50/60/18/1106506018.db2.gz JABAQYRQJPJSJW-ZWKOTPCHSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900129 1106506022 /nfs/dbraw/zinc/50/60/22/1106506022.db2.gz JABAQYRQJPJSJW-ZWKOTPCHSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900129 1106506026 /nfs/dbraw/zinc/50/60/26/1106506026.db2.gz JABAQYRQJPJSJW-ZWKOTPCHSA-N 2 1 307.526 3.248 20 0 DGADMP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901934 1106506391 /nfs/dbraw/zinc/50/63/91/1106506391.db2.gz MKTJOKJPYGGMEW-HNNXBMFYSA-N 2 1 310.482 3.105 20 0 DGADMP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901934 1106506394 /nfs/dbraw/zinc/50/63/94/1106506394.db2.gz MKTJOKJPYGGMEW-HNNXBMFYSA-N 2 1 310.482 3.105 20 0 DGADMP [NH3+]CCc1nn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256903165 1106507007 /nfs/dbraw/zinc/50/70/07/1106507007.db2.gz YRFAZXULMLXVNR-INIZCTEOSA-N 2 1 312.461 3.117 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC001256902404 1106507039 /nfs/dbraw/zinc/50/70/39/1106507039.db2.gz UATZIMMHJMKXRJ-SFHVURJKSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC001256902404 1106507043 /nfs/dbraw/zinc/50/70/43/1106507043.db2.gz UATZIMMHJMKXRJ-SFHVURJKSA-N 2 1 301.478 3.319 20 0 DGADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906424 1106508438 /nfs/dbraw/zinc/50/84/38/1106508438.db2.gz BDWQLKFETJBEAA-RDJZCZTQSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906424 1106508440 /nfs/dbraw/zinc/50/84/40/1106508440.db2.gz BDWQLKFETJBEAA-RDJZCZTQSA-N 2 1 302.462 3.320 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257038643 1106528502 /nfs/dbraw/zinc/52/85/02/1106528502.db2.gz QYMKADLQCKPXCV-IAGOWNOFSA-N 2 1 312.498 3.210 20 0 DGADMP C[C@H]1CC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257085489 1106536098 /nfs/dbraw/zinc/53/60/98/1106536098.db2.gz OXPUQCATTNVFGW-LAQRGFTBSA-N 2 1 317.477 3.110 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+]C2CCN(C(C)C)CC2)CC1 ZINC001257211070 1106552008 /nfs/dbraw/zinc/55/20/08/1106552008.db2.gz AQOSLHLNYOADCY-UHFFFAOYSA-N 2 1 309.542 3.349 20 0 DGADMP CC(C)[NH+]1CCC([NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC001257215069 1106552430 /nfs/dbraw/zinc/55/24/30/1106552430.db2.gz RUGQATIKBBJODV-UHFFFAOYSA-N 2 1 302.462 3.403 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001257212324 1106552539 /nfs/dbraw/zinc/55/25/39/1106552539.db2.gz QTSAQFOHDGQBAZ-UHFFFAOYSA-N 2 1 310.445 3.106 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC001257220399 1106553406 /nfs/dbraw/zinc/55/34/06/1106553406.db2.gz OTKSUABUCVLOLJ-SFHVURJKSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC001257220399 1106553408 /nfs/dbraw/zinc/55/34/08/1106553408.db2.gz OTKSUABUCVLOLJ-SFHVURJKSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220399 1106553414 /nfs/dbraw/zinc/55/34/14/1106553414.db2.gz OTKSUABUCVLOLJ-SFHVURJKSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220399 1106553416 /nfs/dbraw/zinc/55/34/16/1106553416.db2.gz OTKSUABUCVLOLJ-SFHVURJKSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257223635 1106554322 /nfs/dbraw/zinc/55/43/22/1106554322.db2.gz UGEBIQCAURAUPB-GOSISDBHSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257223635 1106554323 /nfs/dbraw/zinc/55/43/23/1106554323.db2.gz UGEBIQCAURAUPB-GOSISDBHSA-N 2 1 317.477 3.106 20 0 DGADMP CCC[C@H](CC)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001257260414 1106557705 /nfs/dbraw/zinc/55/77/05/1106557705.db2.gz RYELCPXXAKXJHR-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@H](CC)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001257260414 1106557707 /nfs/dbraw/zinc/55/77/07/1106557707.db2.gz RYELCPXXAKXJHR-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@@H](CC)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001257260410 1106557719 /nfs/dbraw/zinc/55/77/19/1106557719.db2.gz RYELCPXXAKXJHR-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@@H](CC)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001257260410 1106557721 /nfs/dbraw/zinc/55/77/21/1106557721.db2.gz RYELCPXXAKXJHR-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001257318571 1106566518 /nfs/dbraw/zinc/56/65/18/1106566518.db2.gz FAKWLIXNLJYZNC-INIZCTEOSA-N 2 1 304.482 3.039 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001257380863 1106577667 /nfs/dbraw/zinc/57/76/67/1106577667.db2.gz DVKOSUAJIUOGGD-WCXIOVBPSA-N 2 1 310.482 3.103 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001257380863 1106577670 /nfs/dbraw/zinc/57/76/70/1106577670.db2.gz DVKOSUAJIUOGGD-WCXIOVBPSA-N 2 1 310.482 3.103 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001257386076 1106579067 /nfs/dbraw/zinc/57/90/67/1106579067.db2.gz BSTZNKIMYPEAQT-SJORKVTESA-N 2 1 312.498 3.339 20 0 DGADMP CC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001257441195 1106590144 /nfs/dbraw/zinc/59/01/44/1106590144.db2.gz VTXKMTAGEOJGPJ-NSISKUIASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001257441195 1106590147 /nfs/dbraw/zinc/59/01/47/1106590147.db2.gz VTXKMTAGEOJGPJ-NSISKUIASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001257441195 1106590150 /nfs/dbraw/zinc/59/01/50/1106590150.db2.gz VTXKMTAGEOJGPJ-NSISKUIASA-N 2 1 320.521 3.245 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(Br)cc1 ZINC001257554940 1106604116 /nfs/dbraw/zinc/60/41/16/1106604116.db2.gz FQZLXLOAIIZWGJ-ZDUSSCGKSA-N 2 1 313.283 3.441 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@H]3CCCSC3)CC1)C2 ZINC001257679218 1106620684 /nfs/dbraw/zinc/62/06/84/1106620684.db2.gz BLHAERAGYCQXBZ-IBGZPJMESA-N 2 1 316.514 3.405 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@H]3CCCSC3)CC1)C2 ZINC001257679218 1106620685 /nfs/dbraw/zinc/62/06/85/1106620685.db2.gz BLHAERAGYCQXBZ-IBGZPJMESA-N 2 1 316.514 3.405 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257821654 1106631746 /nfs/dbraw/zinc/63/17/46/1106631746.db2.gz NFCZCOHMPNMGAG-UHFFFAOYSA-N 2 1 313.445 3.309 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829146 1106632125 /nfs/dbraw/zinc/63/21/25/1106632125.db2.gz IRRHDQOCRRNUQT-WQUXRXDGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829146 1106632127 /nfs/dbraw/zinc/63/21/27/1106632127.db2.gz IRRHDQOCRRNUQT-WQUXRXDGSA-N 2 1 316.489 3.444 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CCC3(COC3)CC2)CC1 ZINC001257903686 1106644537 /nfs/dbraw/zinc/64/45/37/1106644537.db2.gz HAOPVJUPAFBOPC-JCNLHEQBSA-N 2 1 306.494 3.460 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257946079 1106648218 /nfs/dbraw/zinc/64/82/18/1106648218.db2.gz AYNKOEJTAPCXHB-INIZCTEOSA-N 2 1 310.869 3.355 20 0 DGADMP [NH3+]CCCC[NH+]1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC001257995867 1106655339 /nfs/dbraw/zinc/65/53/39/1106655339.db2.gz AFIRNMKBJNNGBG-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007383 1106656672 /nfs/dbraw/zinc/65/66/72/1106656672.db2.gz DYHKWMSMRAZBNO-SAABIXHNSA-N 3 1 307.526 3.231 20 0 DGADMP CC(C)CN1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007383 1106656673 /nfs/dbraw/zinc/65/66/73/1106656673.db2.gz DYHKWMSMRAZBNO-SAABIXHNSA-N 2 1 307.526 3.231 20 0 DGADMP CC(C)CN1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007383 1106656676 /nfs/dbraw/zinc/65/66/76/1106656676.db2.gz DYHKWMSMRAZBNO-SAABIXHNSA-N 2 1 307.526 3.231 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001258015047 1106658493 /nfs/dbraw/zinc/65/84/93/1106658493.db2.gz YAJPWNKHROASDP-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001258015047 1106658496 /nfs/dbraw/zinc/65/84/96/1106658496.db2.gz YAJPWNKHROASDP-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001258012849 1106658567 /nfs/dbraw/zinc/65/85/67/1106658567.db2.gz HMKANEVMNFWTGM-OALUTQOASA-N 2 1 312.457 3.019 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001258012849 1106658571 /nfs/dbraw/zinc/65/85/71/1106658571.db2.gz HMKANEVMNFWTGM-OALUTQOASA-N 2 1 312.457 3.019 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C[C@H]1C ZINC001258020403 1106659975 /nfs/dbraw/zinc/65/99/75/1106659975.db2.gz RNHFUZKAXONFBT-SJORKVTESA-N 2 1 324.509 3.018 20 0 DGADMP CCOC(=O)CC1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001258030676 1106661529 /nfs/dbraw/zinc/66/15/29/1106661529.db2.gz VZTDHIOUTQZXIQ-LXPRWKDFSA-N 2 1 324.509 3.339 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258124559 1106677140 /nfs/dbraw/zinc/67/71/40/1106677140.db2.gz IYQHSGLOQXNWCQ-FGTMMUONSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258124559 1106677143 /nfs/dbraw/zinc/67/71/43/1106677143.db2.gz IYQHSGLOQXNWCQ-FGTMMUONSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258124559 1106677145 /nfs/dbraw/zinc/67/71/45/1106677145.db2.gz IYQHSGLOQXNWCQ-FGTMMUONSA-N 2 1 324.509 3.447 20 0 DGADMP C[N@H+](CCc1ccncc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146249 1106681263 /nfs/dbraw/zinc/68/12/63/1106681263.db2.gz USZSBUHDRMWBHR-UHFFFAOYSA-N 2 1 323.484 3.263 20 0 DGADMP C[N@@H+](CCc1ccncc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146249 1106681266 /nfs/dbraw/zinc/68/12/66/1106681266.db2.gz USZSBUHDRMWBHR-UHFFFAOYSA-N 2 1 323.484 3.263 20 0 DGADMP COCC[N@H+](C(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146403 1106681289 /nfs/dbraw/zinc/68/12/89/1106681289.db2.gz WIYMRDIECMAOQH-UHFFFAOYSA-N 2 1 304.478 3.050 20 0 DGADMP COCC[N@@H+](C(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146403 1106681292 /nfs/dbraw/zinc/68/12/92/1106681292.db2.gz WIYMRDIECMAOQH-UHFFFAOYSA-N 2 1 304.478 3.050 20 0 DGADMP C[C@H](Cc1ccco1)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001258188335 1106691505 /nfs/dbraw/zinc/69/15/05/1106691505.db2.gz JUAZGHIUEKHTFY-BZUAXINKSA-N 2 1 316.470 3.336 20 0 DGADMP CSC(C)(C)C[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258326437 1106716833 /nfs/dbraw/zinc/71/68/33/1106716833.db2.gz FQFMUQCYYFILKM-AWEZNQCLSA-N 2 1 307.507 3.252 20 0 DGADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001258454112 1106753275 /nfs/dbraw/zinc/75/32/75/1106753275.db2.gz DCPFNEKCXQYQRL-NSISKUIASA-N 2 1 319.537 3.103 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258491402 1106778128 /nfs/dbraw/zinc/77/81/28/1106778128.db2.gz KQEPTFKLVZFEQS-INIZCTEOSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258491402 1106778140 /nfs/dbraw/zinc/77/81/40/1106778140.db2.gz KQEPTFKLVZFEQS-INIZCTEOSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258499986 1106783101 /nfs/dbraw/zinc/78/31/01/1106783101.db2.gz VTABPFGIKQYNNB-IKGGRYGDSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258499986 1106783113 /nfs/dbraw/zinc/78/31/13/1106783113.db2.gz VTABPFGIKQYNNB-IKGGRYGDSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258499986 1106783123 /nfs/dbraw/zinc/78/31/23/1106783123.db2.gz VTABPFGIKQYNNB-IKGGRYGDSA-N 2 1 310.482 3.057 20 0 DGADMP C[C@H](Cc1cccnc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619069 1106856715 /nfs/dbraw/zinc/85/67/15/1106856715.db2.gz VGWGHHRQEBGQKD-YVWKXTFCSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690442 1106908060 /nfs/dbraw/zinc/90/80/60/1106908060.db2.gz RHJXSDVYMZIBNL-JQHSSLGASA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690442 1106908067 /nfs/dbraw/zinc/90/80/67/1106908067.db2.gz RHJXSDVYMZIBNL-JQHSSLGASA-N 2 1 308.510 3.292 20 0 DGADMP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC001258740772 1106944354 /nfs/dbraw/zinc/94/43/54/1106944354.db2.gz ALHWPVCZSSDQJG-AWEZNQCLSA-N 2 1 310.869 3.101 20 0 DGADMP CCCC[C@H](CCC)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001258760726 1106958956 /nfs/dbraw/zinc/95/89/56/1106958956.db2.gz CAMMBGKXZWJWST-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[C@H](CCC)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001258760726 1106958973 /nfs/dbraw/zinc/95/89/73/1106958973.db2.gz CAMMBGKXZWJWST-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258881397 1107032773 /nfs/dbraw/zinc/03/27/73/1107032773.db2.gz RFPQNPHHDWLZGU-NRSFXHEJSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258881397 1107032786 /nfs/dbraw/zinc/03/27/86/1107032786.db2.gz RFPQNPHHDWLZGU-NRSFXHEJSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258886084 1107038319 /nfs/dbraw/zinc/03/83/19/1107038319.db2.gz BQBONTOSJDDZPT-IAGOWNOFSA-N 2 1 304.478 3.467 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001258908271 1107055059 /nfs/dbraw/zinc/05/50/59/1107055059.db2.gz UHQYYWSEALUIFO-GDBMZVCRSA-N 2 1 308.470 3.068 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cc(CO)ccc2C1 ZINC001258907353 1107055213 /nfs/dbraw/zinc/05/52/13/1107055213.db2.gz JIJIFKDLAWHULE-MRXNPFEDSA-N 2 1 304.478 3.048 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636514 1107081075 /nfs/dbraw/zinc/08/10/75/1107081075.db2.gz IIESSUUCZOKQGD-AWEZNQCLSA-N 2 1 309.885 3.180 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)cc1O ZINC001320747155 1107122844 /nfs/dbraw/zinc/12/28/44/1107122844.db2.gz XIHXQHIATBRYSN-BHYGNILZSA-N 2 1 320.477 3.184 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948391 1107199565 /nfs/dbraw/zinc/19/95/65/1107199565.db2.gz DIRZRMCYXCRQSE-GDBMZVCRSA-N 2 1 306.498 3.329 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948391 1107199572 /nfs/dbraw/zinc/19/95/72/1107199572.db2.gz DIRZRMCYXCRQSE-GDBMZVCRSA-N 2 1 306.498 3.329 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317430984 1107355726 /nfs/dbraw/zinc/35/57/26/1107355726.db2.gz DAVBNQUYDMMFLN-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]CCc2ccccn2)cc1 ZINC001261252428 1107373174 /nfs/dbraw/zinc/37/31/74/1107373174.db2.gz KWJOIBMOZOBBIZ-PMSBKCLSSA-N 2 1 321.468 3.124 20 0 DGADMP CCC[NH+](CCC)CCCc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001261480301 1107441643 /nfs/dbraw/zinc/44/16/43/1107441643.db2.gz LWHMJTGMHQFZSA-KRWDZBQOSA-N 2 1 316.449 3.172 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)[C@H]1CC[NH3+] ZINC001261506197 1107454418 /nfs/dbraw/zinc/45/44/18/1107454418.db2.gz KSGRCFOIIZZBEW-BEFAXECRSA-N 2 1 312.461 3.036 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)CC[C@H]1C(F)(F)F ZINC001261836546 1107540268 /nfs/dbraw/zinc/54/02/68/1107540268.db2.gz GDZPBQITVBICLJ-WDBKCZKBSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CC[C@H]1C(F)(F)F ZINC001261836546 1107540277 /nfs/dbraw/zinc/54/02/77/1107540277.db2.gz GDZPBQITVBICLJ-WDBKCZKBSA-N 2 1 316.342 3.272 20 0 DGADMP COC(=O)c1cccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001322474157 1107684194 /nfs/dbraw/zinc/68/41/94/1107684194.db2.gz ADCYMAVQZHMYHA-INIZCTEOSA-N 2 1 318.461 3.217 20 0 DGADMP Nc1cccc2c1cc[nH+]c2NC1CCN(c2cc[nH+]cc2)CC1 ZINC001262726388 1107791142 /nfs/dbraw/zinc/79/11/42/1107791142.db2.gz GNNHEYNCYDBQAG-UHFFFAOYSA-N 2 1 319.412 3.293 20 0 DGADMP C[NH2+]CCCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001263094924 1107943914 /nfs/dbraw/zinc/94/39/14/1107943914.db2.gz WYIGYESBDGTMBO-INIZCTEOSA-N 2 1 317.477 3.389 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC001323672841 1108048366 /nfs/dbraw/zinc/04/83/66/1108048366.db2.gz RWLONNZNCPJXGQ-XLIONFOSSA-N 2 1 316.489 3.476 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC001319199205 1108362377 /nfs/dbraw/zinc/36/23/77/1108362377.db2.gz SDKYNJLSZQKZQB-IRXDYDNUSA-N 2 1 320.477 3.094 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319392238 1108443574 /nfs/dbraw/zinc/44/35/74/1108443574.db2.gz CKAUOMHUTOYZGB-XYPHTWIQSA-N 2 1 321.440 3.005 20 0 DGADMP COc1ccc(C[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC001324752090 1108453125 /nfs/dbraw/zinc/45/31/25/1108453125.db2.gz OXJRLGDVJZUXRM-HNNXBMFYSA-N 2 1 301.434 3.153 20 0 DGADMP COc1ccc(C[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC001324752090 1108453130 /nfs/dbraw/zinc/45/31/30/1108453130.db2.gz OXJRLGDVJZUXRM-HNNXBMFYSA-N 2 1 301.434 3.153 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000388020694 1108517348 /nfs/dbraw/zinc/51/73/48/1108517348.db2.gz JITKQJMKVSFWSF-QTXGHNMQSA-N 2 1 302.462 3.231 20 0 DGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001319562114 1108528638 /nfs/dbraw/zinc/52/86/38/1108528638.db2.gz BCTPQILDHCQAGK-SJLPKXTDSA-N 2 1 312.461 3.108 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccn2C2CC2)[C@H](C)C1 ZINC001325118010 1108579294 /nfs/dbraw/zinc/57/92/94/1108579294.db2.gz RNEYKIITHORLBE-APWZRJJASA-N 2 1 319.493 3.050 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264674210 1108611401 /nfs/dbraw/zinc/61/14/01/1108611401.db2.gz YQQRHCMCZADISA-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000389083780 1108620579 /nfs/dbraw/zinc/62/05/79/1108620579.db2.gz LWPHJJKVIDTXKB-JMGFVUJMSA-N 2 1 323.278 3.049 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756779 1108624032 /nfs/dbraw/zinc/62/40/32/1108624032.db2.gz ZOPJLUYRAGYCQG-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756779 1108624037 /nfs/dbraw/zinc/62/40/37/1108624037.db2.gz ZOPJLUYRAGYCQG-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC001319856902 1108665936 /nfs/dbraw/zinc/66/59/36/1108665936.db2.gz OIFGMCLERZENHO-HOTGVXAUSA-N 2 1 300.446 3.291 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC001319856902 1108665940 /nfs/dbraw/zinc/66/59/40/1108665940.db2.gz OIFGMCLERZENHO-HOTGVXAUSA-N 2 1 300.446 3.291 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000393407023 1109009444 /nfs/dbraw/zinc/00/94/44/1109009444.db2.gz VXRFFQGOJLCHBJ-AWEZNQCLSA-N 2 1 318.461 3.371 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394058805 1109090048 /nfs/dbraw/zinc/09/00/48/1109090048.db2.gz DUKKVXLZWOSPJT-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCC1 ZINC001307479155 1111303480 /nfs/dbraw/zinc/30/34/80/1111303480.db2.gz UEWJREATKLUJLR-JENIJYKNSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CCC1 ZINC001307479155 1111303483 /nfs/dbraw/zinc/30/34/83/1111303483.db2.gz UEWJREATKLUJLR-JENIJYKNSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccnc1 ZINC001307657150 1111324888 /nfs/dbraw/zinc/32/48/88/1111324888.db2.gz HWBVMVXOPKAXPQ-YRWFTTLQSA-N 2 1 309.457 3.328 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC001307703795 1111330134 /nfs/dbraw/zinc/33/01/34/1111330134.db2.gz ZJLDPBKEKGTJDH-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP CCCCOC(=O)[C@@H](C)[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001308027987 1111368482 /nfs/dbraw/zinc/36/84/82/1111368482.db2.gz MYWAMHNNUCAJDF-MRXNPFEDSA-N 2 1 312.498 3.018 20 0 DGADMP O=c1[nH]c2cc(F)ccc2cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001308186248 1111393141 /nfs/dbraw/zinc/39/31/41/1111393141.db2.gz VAGJAXZABWKHDU-UHFFFAOYSA-N 2 1 317.408 3.045 20 0 DGADMP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC001308202399 1111396225 /nfs/dbraw/zinc/39/62/25/1111396225.db2.gz KTJPSPJAVFSDQR-IXDOHACOSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC001308202399 1111396229 /nfs/dbraw/zinc/39/62/29/1111396229.db2.gz KTJPSPJAVFSDQR-IXDOHACOSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC1CCCCC1 ZINC001308270246 1111408396 /nfs/dbraw/zinc/40/83/96/1111408396.db2.gz YLQJSQZCXSOLRE-PKOBYXMFSA-N 2 1 310.526 3.419 20 0 DGADMP Cc1ccsc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001308292079 1111412280 /nfs/dbraw/zinc/41/22/80/1111412280.db2.gz HYGHQEATOKHQOZ-UHFFFAOYSA-N 2 1 316.474 3.222 20 0 DGADMP COc1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC001308605247 1111450017 /nfs/dbraw/zinc/45/00/17/1111450017.db2.gz JPIJTIXXEFRJDZ-UHFFFAOYSA-N 2 1 323.506 3.240 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC001308619610 1111452164 /nfs/dbraw/zinc/45/21/64/1111452164.db2.gz QRVYKARWWPJTKN-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CCCC[C@@H]1C ZINC001308739856 1111468346 /nfs/dbraw/zinc/46/83/46/1111468346.db2.gz GOQPDNZTNSOBIH-IPMKNSEASA-N 2 1 309.542 3.161 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(C)c1C ZINC001308742275 1111469308 /nfs/dbraw/zinc/46/93/08/1111469308.db2.gz CIVSYOIDDYEKFW-SFHVURJKSA-N 2 1 323.550 3.213 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)n1 ZINC001308984962 1111505229 /nfs/dbraw/zinc/50/52/29/1111505229.db2.gz UBRAEKYPNAXAQM-UHFFFAOYSA-N 2 1 305.466 3.060 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)n1 ZINC001308984962 1111505231 /nfs/dbraw/zinc/50/52/31/1111505231.db2.gz UBRAEKYPNAXAQM-UHFFFAOYSA-N 2 1 305.466 3.060 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316774978 1111762997 /nfs/dbraw/zinc/76/29/97/1111762997.db2.gz XVNRMINCZLAJCF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000278511267 214200989 /nfs/dbraw/zinc/20/09/89/214200989.db2.gz OXOFTBIGUGGOEU-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000278511267 214200991 /nfs/dbraw/zinc/20/09/91/214200991.db2.gz OXOFTBIGUGGOEU-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000278620590 214281250 /nfs/dbraw/zinc/28/12/50/214281250.db2.gz RNRDIZUGLZWZNN-LSDHHAIUSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000278620590 214281252 /nfs/dbraw/zinc/28/12/52/214281252.db2.gz RNRDIZUGLZWZNN-LSDHHAIUSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CC2)CCCO1 ZINC000278633933 214292146 /nfs/dbraw/zinc/29/21/46/214292146.db2.gz SAHLYMYRCLWWJD-VQIMIIECSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(F)cc3)C2)CCCO1 ZINC000278658062 214306487 /nfs/dbraw/zinc/30/64/87/214306487.db2.gz SWMWYNUVKLRFGV-LSJNQWAISA-N 2 1 320.452 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(F)cc3)C2)CCCO1 ZINC000278658062 214306489 /nfs/dbraw/zinc/30/64/89/214306489.db2.gz SWMWYNUVKLRFGV-LSJNQWAISA-N 2 1 320.452 3.162 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000305755576 231039565 /nfs/dbraw/zinc/03/95/65/231039565.db2.gz AMHNLOCXOWISHF-PKOBYXMFSA-N 2 1 320.452 3.030 20 0 DGADMP CSC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309688496 231100790 /nfs/dbraw/zinc/10/07/90/231100790.db2.gz CGMFAQKDTNHPHH-QGZVFWFLSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Br)c2)CC[N@H+]1C ZINC000313707601 231124887 /nfs/dbraw/zinc/12/48/87/231124887.db2.gz ZRUVZLSTKMJLSF-DOMZBBRYSA-N 2 1 311.267 3.064 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000278731836 214361461 /nfs/dbraw/zinc/36/14/61/214361461.db2.gz WIRZQIPHUQZDPO-HUUCEWRRSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000278731836 214361462 /nfs/dbraw/zinc/36/14/62/214361462.db2.gz WIRZQIPHUQZDPO-HUUCEWRRSA-N 2 1 310.869 3.492 20 0 DGADMP Cn1cccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309979348 231110090 /nfs/dbraw/zinc/11/00/90/231110090.db2.gz UDFVKEFSRDOVGU-LJQANCHMSA-N 2 1 311.473 3.417 20 0 DGADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278739987 214367902 /nfs/dbraw/zinc/36/79/02/214367902.db2.gz WOMPJQBCTHOZIL-SJLPKXTDSA-N 2 1 305.466 3.013 20 0 DGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278739987 214367906 /nfs/dbraw/zinc/36/79/06/214367906.db2.gz WOMPJQBCTHOZIL-SJLPKXTDSA-N 2 1 305.466 3.013 20 0 DGADMP CC[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432347100 529489615 /nfs/dbraw/zinc/48/96/15/529489615.db2.gz NSLQYAFNMJTICR-MSOLQXFVSA-N 2 1 304.478 3.271 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000279054134 214603878 /nfs/dbraw/zinc/60/38/78/214603878.db2.gz YHNUUYDERSISCP-BBRMVZONSA-N 2 1 319.836 3.076 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827792 210226894 /nfs/dbraw/zinc/22/68/94/210226894.db2.gz PNAHKUJQZRBSFN-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP C[N@@H+](CC1CC(F)(F)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294846181 529859464 /nfs/dbraw/zinc/85/94/64/529859464.db2.gz BVADJADLZRTTAC-INIZCTEOSA-N 2 1 308.416 3.486 20 0 DGADMP C[NH+](CC1CC(F)(F)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294846181 529859465 /nfs/dbraw/zinc/85/94/65/529859465.db2.gz BVADJADLZRTTAC-INIZCTEOSA-N 2 1 308.416 3.486 20 0 DGADMP C[NH+](CC1CC(F)(F)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294846181 529859467 /nfs/dbraw/zinc/85/94/67/529859467.db2.gz BVADJADLZRTTAC-INIZCTEOSA-N 2 1 308.416 3.486 20 0 DGADMP C[N@@H+](CCCOc1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000441364865 529895386 /nfs/dbraw/zinc/89/53/86/529895386.db2.gz IQNVQTLPAKXIDQ-QGZVFWFLSA-N 2 1 308.441 3.401 20 0 DGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000441364865 529895387 /nfs/dbraw/zinc/89/53/87/529895387.db2.gz IQNVQTLPAKXIDQ-QGZVFWFLSA-N 2 1 308.441 3.401 20 0 DGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000441364865 529895388 /nfs/dbraw/zinc/89/53/88/529895388.db2.gz IQNVQTLPAKXIDQ-QGZVFWFLSA-N 2 1 308.441 3.401 20 0 DGADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435612030 529927238 /nfs/dbraw/zinc/92/72/38/529927238.db2.gz VMQAJTFIUYXRFL-ZDUSSCGKSA-N 2 1 316.367 3.158 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000430628213 529988271 /nfs/dbraw/zinc/98/82/71/529988271.db2.gz OMIDJDKLBUGCAO-KRWDZBQOSA-N 2 1 302.462 3.246 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000430628213 529988272 /nfs/dbraw/zinc/98/82/72/529988272.db2.gz OMIDJDKLBUGCAO-KRWDZBQOSA-N 2 1 302.462 3.246 20 0 DGADMP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)CC(C)(C)C[NH3+] ZINC000430590798 529989933 /nfs/dbraw/zinc/98/99/33/529989933.db2.gz LZVYUUJAGPMJTN-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430613255 530001684 /nfs/dbraw/zinc/00/16/84/530001684.db2.gz UWUHUQSDLFGVBB-CYBMUJFWSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430613255 530001685 /nfs/dbraw/zinc/00/16/85/530001685.db2.gz UWUHUQSDLFGVBB-CYBMUJFWSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC000430968283 529993118 /nfs/dbraw/zinc/99/31/18/529993118.db2.gz XNGCHLMVABJMFR-INIZCTEOSA-N 2 1 304.478 3.294 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850568 530065140 /nfs/dbraw/zinc/06/51/40/530065140.db2.gz BTOUOSKNAPQFFQ-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850568 530065141 /nfs/dbraw/zinc/06/51/41/530065141.db2.gz BTOUOSKNAPQFFQ-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850568 530065142 /nfs/dbraw/zinc/06/51/42/530065142.db2.gz BTOUOSKNAPQFFQ-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850568 530065143 /nfs/dbraw/zinc/06/51/43/530065143.db2.gz BTOUOSKNAPQFFQ-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000415072292 530036932 /nfs/dbraw/zinc/03/69/32/530036932.db2.gz XSWQGOLUKYVOJJ-LJQANCHMSA-N 2 1 324.472 3.457 20 0 DGADMP C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000104085986 432013599 /nfs/dbraw/zinc/01/35/99/432013599.db2.gz BNEULICIBNHKLK-UHFFFAOYSA-N 2 1 300.368 3.479 20 0 DGADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1SC ZINC000105442895 432018862 /nfs/dbraw/zinc/01/88/62/432018862.db2.gz XBPSZLFSWZBYBA-CYBMUJFWSA-N 2 1 319.474 3.348 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000286952709 219241569 /nfs/dbraw/zinc/24/15/69/219241569.db2.gz HMACPUJHIHJZCP-QGZVFWFLSA-N 2 1 310.869 3.226 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000292008574 222776885 /nfs/dbraw/zinc/77/68/85/222776885.db2.gz CZIUGQXLOFRARO-INIZCTEOSA-N 2 1 319.493 3.166 20 0 DGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152460470 186075393 /nfs/dbraw/zinc/07/53/93/186075393.db2.gz MLEVZVPRLIDAQW-KBXCAEBGSA-N 2 1 302.487 3.091 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000163892794 186141818 /nfs/dbraw/zinc/14/18/18/186141818.db2.gz NCDRLQHEYFVBLQ-UONOGXRCSA-N 2 1 309.417 3.326 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1F ZINC000194269756 186274780 /nfs/dbraw/zinc/27/47/80/186274780.db2.gz VRFKBXZISWVUDC-OAHLLOKOSA-N 2 1 301.365 3.102 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000268749424 186377606 /nfs/dbraw/zinc/37/76/06/186377606.db2.gz UBVJJARZFAWXQI-PKOBYXMFSA-N 2 1 317.521 3.074 20 0 DGADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756449 186380574 /nfs/dbraw/zinc/38/05/74/186380574.db2.gz XSEPQYLUYBNFTO-IEBWSBKVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000269569397 186388085 /nfs/dbraw/zinc/38/80/85/186388085.db2.gz AJSQJWOCRHUHPQ-CYBMUJFWSA-N 2 1 318.490 3.013 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000269569397 186388087 /nfs/dbraw/zinc/38/80/87/186388087.db2.gz AJSQJWOCRHUHPQ-CYBMUJFWSA-N 2 1 318.490 3.013 20 0 DGADMP c1cncc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544621 198112805 /nfs/dbraw/zinc/11/28/05/198112805.db2.gz AWDGLFRXQZYJTE-LJQANCHMSA-N 2 1 301.478 3.212 20 0 DGADMP c1cncc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544621 198112806 /nfs/dbraw/zinc/11/28/06/198112806.db2.gz AWDGLFRXQZYJTE-LJQANCHMSA-N 2 1 301.478 3.212 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1O ZINC000277175165 213346771 /nfs/dbraw/zinc/34/67/71/213346771.db2.gz HFMDCDKUHFROHU-HNNXBMFYSA-N 2 1 308.466 3.042 20 0 DGADMP Cc1ccccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000072725130 191223407 /nfs/dbraw/zinc/22/34/07/191223407.db2.gz XCERONDNKOSEHQ-QGZVFWFLSA-N 2 1 317.477 3.130 20 0 DGADMP Cc1ccccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000072725130 191223408 /nfs/dbraw/zinc/22/34/08/191223408.db2.gz XCERONDNKOSEHQ-QGZVFWFLSA-N 2 1 317.477 3.130 20 0 DGADMP Cc1ccccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000072725130 191223411 /nfs/dbraw/zinc/22/34/11/191223411.db2.gz XCERONDNKOSEHQ-QGZVFWFLSA-N 2 1 317.477 3.130 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000072860655 191243753 /nfs/dbraw/zinc/24/37/53/191243753.db2.gz RSNAHVLPOSSCQU-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000072860655 191243756 /nfs/dbraw/zinc/24/37/56/191243756.db2.gz RSNAHVLPOSSCQU-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000072860655 191243758 /nfs/dbraw/zinc/24/37/58/191243758.db2.gz RSNAHVLPOSSCQU-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000072860655 191243760 /nfs/dbraw/zinc/24/37/60/191243760.db2.gz RSNAHVLPOSSCQU-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000067450051 432030632 /nfs/dbraw/zinc/03/06/32/432030632.db2.gz OUJBNPHZAALHLT-UHFFFAOYSA-N 2 1 314.477 3.167 20 0 DGADMP Cc1ccc(-c2cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c2)cc1 ZINC000131386542 432035808 /nfs/dbraw/zinc/03/58/08/432035808.db2.gz HUONOOBFHPPLDS-FQEVSTJZSA-N 2 1 312.457 3.064 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000236781102 202005379 /nfs/dbraw/zinc/00/53/79/202005379.db2.gz UZCFYUWUTKTMCV-CQSZACIVSA-N 2 1 306.450 3.229 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000163759161 432040757 /nfs/dbraw/zinc/04/07/57/432040757.db2.gz YOJLTKPCBOVMRP-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000236813726 202022096 /nfs/dbraw/zinc/02/20/96/202022096.db2.gz JIUCVDNVIXCOCZ-MRXNPFEDSA-N 2 1 303.450 3.114 20 0 DGADMP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@H]2C1 ZINC000486708852 283078647 /nfs/dbraw/zinc/07/86/47/283078647.db2.gz LPYMUXPBPITGNO-PXAZEXFGSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@H]2C1 ZINC000486708852 283078650 /nfs/dbraw/zinc/07/86/50/283078650.db2.gz LPYMUXPBPITGNO-PXAZEXFGSA-N 2 1 301.821 3.419 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000236821946 202026132 /nfs/dbraw/zinc/02/61/32/202026132.db2.gz TWXLROAUONKZHS-CQSZACIVSA-N 2 1 303.450 3.168 20 0 DGADMP CC[C@@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179324152 432054079 /nfs/dbraw/zinc/05/40/79/432054079.db2.gz HJKIHBLQGPAEMX-MRXNPFEDSA-N 2 1 303.494 3.447 20 0 DGADMP C[N@@H+](CCNC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000133197792 432059565 /nfs/dbraw/zinc/05/95/65/432059565.db2.gz QHBUZGPFNMWNCW-UHFFFAOYSA-N 2 1 307.526 3.248 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1 ZINC000166266865 432059646 /nfs/dbraw/zinc/05/96/46/432059646.db2.gz QQSVYJAJLXWRAW-AUUYWEPGSA-N 2 1 312.461 3.172 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000236942197 202085332 /nfs/dbraw/zinc/08/53/32/202085332.db2.gz WAPMHAFQCDLEDA-UHFFFAOYSA-N 2 1 324.538 3.342 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc(-c2ccccc2)cs1 ZINC000276740235 213078524 /nfs/dbraw/zinc/07/85/24/213078524.db2.gz ZAUUKGZERZIEIX-CYBMUJFWSA-N 2 1 312.442 3.437 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000180170377 432079762 /nfs/dbraw/zinc/07/97/62/432079762.db2.gz ZPBNZTCPIZZXHC-HAGHYFMRSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000180162344 432080221 /nfs/dbraw/zinc/08/02/21/432080221.db2.gz VYWTXURMWSLZOY-NXEWRWPSSA-N 2 1 314.473 3.341 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414810671 236875363 /nfs/dbraw/zinc/87/53/63/236875363.db2.gz VPKFYSDTKBWUFT-WCQYABFASA-N 2 1 307.488 3.479 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000414923501 236953935 /nfs/dbraw/zinc/95/39/35/236953935.db2.gz FKHCYBFHLLAFQT-RDTXWAMCSA-N 2 1 320.477 3.003 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CCCO1 ZINC000415105627 237078972 /nfs/dbraw/zinc/07/89/72/237078972.db2.gz IKSALVBMPFHEAJ-NKELODKYSA-N 2 1 302.462 3.010 20 0 DGADMP OCCC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1 ZINC000415089506 237072710 /nfs/dbraw/zinc/07/27/10/237072710.db2.gz YBUPVFWWNVEWTE-MSOLQXFVSA-N 2 1 302.462 3.012 20 0 DGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415112140 237087789 /nfs/dbraw/zinc/08/77/89/237087789.db2.gz RKYZVLNXFSUIHB-PBHICJAKSA-N 2 1 315.461 3.045 20 0 DGADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000187875872 200170554 /nfs/dbraw/zinc/17/05/54/200170554.db2.gz AGHAKFABRLWXDS-MRXNPFEDSA-N 2 1 312.461 3.476 20 0 DGADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000187875872 200170556 /nfs/dbraw/zinc/17/05/56/200170556.db2.gz AGHAKFABRLWXDS-MRXNPFEDSA-N 2 1 312.461 3.476 20 0 DGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339995 237696826 /nfs/dbraw/zinc/69/68/26/237696826.db2.gz RTDDQVJYYVGXTA-ZFWWWQNUSA-N 2 1 305.466 3.497 20 0 DGADMP FC(F)Oc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188727855 200296202 /nfs/dbraw/zinc/29/62/02/200296202.db2.gz PPINEKAUACEFMV-LSDHHAIUSA-N 2 1 310.388 3.047 20 0 DGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C(C)(C)C)n1 ZINC000180470989 432087554 /nfs/dbraw/zinc/08/75/54/432087554.db2.gz SSHYYLRQBVVTER-INIZCTEOSA-N 2 1 318.509 3.025 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C(C)(C)C)n1 ZINC000180470989 432087557 /nfs/dbraw/zinc/08/75/57/432087557.db2.gz SSHYYLRQBVVTER-INIZCTEOSA-N 2 1 318.509 3.025 20 0 DGADMP CCOC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000189353305 200385778 /nfs/dbraw/zinc/38/57/78/200385778.db2.gz XQXQDQYIHWPENE-IBGZPJMESA-N 2 1 304.478 3.302 20 0 DGADMP c1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134891956 432088978 /nfs/dbraw/zinc/08/89/78/432088978.db2.gz GXMYRTWTMPQYNV-APWZRJJASA-N 2 1 300.446 3.014 20 0 DGADMP c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134891956 432088980 /nfs/dbraw/zinc/08/89/80/432088980.db2.gz GXMYRTWTMPQYNV-APWZRJJASA-N 2 1 300.446 3.014 20 0 DGADMP c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134891956 432088982 /nfs/dbraw/zinc/08/89/82/432088982.db2.gz GXMYRTWTMPQYNV-APWZRJJASA-N 2 1 300.446 3.014 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000428206144 238011682 /nfs/dbraw/zinc/01/16/82/238011682.db2.gz MIRRDQUZZGKMJE-OAHLLOKOSA-N 2 1 302.422 3.276 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000428206144 238011683 /nfs/dbraw/zinc/01/16/83/238011683.db2.gz MIRRDQUZZGKMJE-OAHLLOKOSA-N 2 1 302.422 3.276 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601877 238081122 /nfs/dbraw/zinc/08/11/22/238081122.db2.gz VIAFDEMEDLSJNJ-RYUDHWBXSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601877 238081124 /nfs/dbraw/zinc/08/11/24/238081124.db2.gz VIAFDEMEDLSJNJ-RYUDHWBXSA-N 2 1 317.260 3.431 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CCOCC4)CC2)cc1 ZINC000431679931 238108808 /nfs/dbraw/zinc/10/88/08/238108808.db2.gz FMKSBMUXKDOWNZ-SFHVURJKSA-N 2 1 314.473 3.057 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000432410947 238127213 /nfs/dbraw/zinc/12/72/13/238127213.db2.gz TVZLSTRPFUXWHS-QZTJIDSGSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@H](CCc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414286 238127399 /nfs/dbraw/zinc/12/73/99/238127399.db2.gz KKLJFLXXMNMHCF-IAGOWNOFSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@H](CCc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414286 238127400 /nfs/dbraw/zinc/12/74/00/238127400.db2.gz KKLJFLXXMNMHCF-IAGOWNOFSA-N 2 1 322.468 3.237 20 0 DGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432406891 238127527 /nfs/dbraw/zinc/12/75/27/238127527.db2.gz JGNUCFSBDACRLP-SJORKVTESA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432406891 238127529 /nfs/dbraw/zinc/12/75/29/238127529.db2.gz JGNUCFSBDACRLP-SJORKVTESA-N 2 1 320.477 3.237 20 0 DGADMP Cc1cccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432425425 238128308 /nfs/dbraw/zinc/12/83/08/238128308.db2.gz VFWXIEPCQVABEW-RBUKOAKNSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1cccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432425425 238128309 /nfs/dbraw/zinc/12/83/09/238128309.db2.gz VFWXIEPCQVABEW-RBUKOAKNSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432447819 238129078 /nfs/dbraw/zinc/12/90/78/238129078.db2.gz QRTOAZYEGUYQSH-PXNSSMCTSA-N 2 1 316.489 3.463 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC(C)(C)C3)CC2)oc1C ZINC000433171800 238149191 /nfs/dbraw/zinc/14/91/91/238149191.db2.gz BEMZATARYFHABK-UHFFFAOYSA-N 2 1 305.466 3.282 20 0 DGADMP c1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426374 238304282 /nfs/dbraw/zinc/30/42/82/238304282.db2.gz HUZRMHZNSJUPLE-QGZVFWFLSA-N 2 1 313.470 3.287 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1C)CCCS2 ZINC000275831814 212560668 /nfs/dbraw/zinc/56/06/68/212560668.db2.gz HYXIHCLPJOOOKY-INIZCTEOSA-N 2 1 317.458 3.417 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441431919 239048985 /nfs/dbraw/zinc/04/89/85/239048985.db2.gz CTGIZCXKYOURRE-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441431919 239048990 /nfs/dbraw/zinc/04/89/90/239048990.db2.gz CTGIZCXKYOURRE-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000443078973 239171881 /nfs/dbraw/zinc/17/18/81/239171881.db2.gz XWSNXRQFKGWIIX-LBPRGKRZSA-N 2 1 317.260 3.433 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000292933477 223314857 /nfs/dbraw/zinc/31/48/57/223314857.db2.gz HEXYLEMVJBMSAA-ZYSHUDEJSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000292933477 223314860 /nfs/dbraw/zinc/31/48/60/223314860.db2.gz HEXYLEMVJBMSAA-ZYSHUDEJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951676 223324131 /nfs/dbraw/zinc/32/41/31/223324131.db2.gz IRKGUFQJVYQMLR-ONCXSQPRSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951676 223324132 /nfs/dbraw/zinc/32/41/32/223324132.db2.gz IRKGUFQJVYQMLR-ONCXSQPRSA-N 2 1 316.489 3.180 20 0 DGADMP c1ccc(OC[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000275473985 212357393 /nfs/dbraw/zinc/35/73/93/212357393.db2.gz PMROBXVGFRNHJS-GOSISDBHSA-N 2 1 302.462 3.263 20 0 DGADMP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449074901 240004993 /nfs/dbraw/zinc/00/49/93/240004993.db2.gz LQJVGRPVNIXWFX-LYGPFTKASA-N 2 1 306.494 3.331 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000449086541 240010809 /nfs/dbraw/zinc/01/08/09/240010809.db2.gz CCELISXNUAZQLW-DHADLLTHSA-N 2 1 306.494 3.473 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000449235143 240083541 /nfs/dbraw/zinc/08/35/41/240083541.db2.gz TWGSYIHZBSEUSW-MOPGFXCFSA-N 2 1 316.489 3.312 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000449209336 240069264 /nfs/dbraw/zinc/06/92/64/240069264.db2.gz PLHUEWLAXSRSQQ-KRWDZBQOSA-N 2 1 304.478 3.461 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000449209336 240069266 /nfs/dbraw/zinc/06/92/66/240069266.db2.gz PLHUEWLAXSRSQQ-KRWDZBQOSA-N 2 1 304.478 3.461 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000449216147 240072019 /nfs/dbraw/zinc/07/20/19/240072019.db2.gz QBDDHZXYSXNKOU-PNDFQMOFSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000449232520 240082183 /nfs/dbraw/zinc/08/21/83/240082183.db2.gz IHPRJLBDCWNGNX-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccncc1F ZINC000449325768 240132376 /nfs/dbraw/zinc/13/23/76/240132376.db2.gz PKTIKZOJKJXECW-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000449438039 240203839 /nfs/dbraw/zinc/20/38/39/240203839.db2.gz OAVDYFDGAFKHSG-ZGXWSNOMSA-N 2 1 314.473 3.056 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000449484857 240236557 /nfs/dbraw/zinc/23/65/57/240236557.db2.gz JSJURHSRUQNZEJ-LRDDRELGSA-N 2 1 314.832 3.178 20 0 DGADMP Fc1cc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000449487638 240237230 /nfs/dbraw/zinc/23/72/30/240237230.db2.gz ZRMYKLQEJKNDAR-OLZOCXBDSA-N 2 1 312.816 3.074 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000449487554 240239192 /nfs/dbraw/zinc/23/91/92/240239192.db2.gz ZBMSSFFBYHTYTM-UHFFFAOYSA-N 2 1 323.799 3.109 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000171141575 432105791 /nfs/dbraw/zinc/10/57/91/432105791.db2.gz HRSSNGDNNIJMKL-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000246196882 432106330 /nfs/dbraw/zinc/10/63/30/432106330.db2.gz XMRGUAQNRQPLTC-WBMJQRKESA-N 2 1 323.278 3.368 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CC2)cc1 ZINC000091333595 193041758 /nfs/dbraw/zinc/04/17/58/193041758.db2.gz XMMVGHGUGMRZOX-FQEVSTJZSA-N 2 1 315.505 3.063 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091333153 193042053 /nfs/dbraw/zinc/04/20/53/193042053.db2.gz GSWSZCUWGVQGJB-HXUWFJFHSA-N 2 1 315.505 3.001 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091862278 193119014 /nfs/dbraw/zinc/11/90/14/193119014.db2.gz LOZFJTDOWIVTNO-QGZVFWFLSA-N 2 1 320.452 3.291 20 0 DGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000246204383 432107785 /nfs/dbraw/zinc/10/77/85/432107785.db2.gz MAIQQZLFGWPACR-IPMKNSEASA-N 2 1 309.542 3.209 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](COCc2ccccc2)C1 ZINC000268611536 432110300 /nfs/dbraw/zinc/11/03/00/432110300.db2.gz ZTMGXAIZPLYMNC-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271761299 209191030 /nfs/dbraw/zinc/19/10/30/209191030.db2.gz ZUPTYTSYNUHWDS-AWEZNQCLSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091335729 284000300 /nfs/dbraw/zinc/00/03/00/284000300.db2.gz BFAIGFNAABGNAR-MLGOLLRUSA-N 2 1 323.278 3.368 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193794 299384122 /nfs/dbraw/zinc/38/41/22/299384122.db2.gz IBSARLPISGJQGP-RLFYNMQTSA-N 2 1 316.493 3.040 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253630 193180248 /nfs/dbraw/zinc/18/02/48/193180248.db2.gz RWVWOLHUOPDARP-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253630 193180250 /nfs/dbraw/zinc/18/02/50/193180250.db2.gz RWVWOLHUOPDARP-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092253630 193180252 /nfs/dbraw/zinc/18/02/52/193180252.db2.gz RWVWOLHUOPDARP-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092253630 193180254 /nfs/dbraw/zinc/18/02/54/193180254.db2.gz RWVWOLHUOPDARP-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP CC(C)OC1CC([N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000459333033 243339141 /nfs/dbraw/zinc/33/91/41/243339141.db2.gz ZSFVDACXKUIXSF-VIQWUECVSA-N 2 1 308.510 3.386 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459435166 243369206 /nfs/dbraw/zinc/36/92/06/243369206.db2.gz WPIYPLFBQFZVPQ-BXUZGUMPSA-N 2 1 318.490 3.154 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000459435166 243369208 /nfs/dbraw/zinc/36/92/08/243369208.db2.gz WPIYPLFBQFZVPQ-BXUZGUMPSA-N 2 1 318.490 3.154 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC000111684388 284080455 /nfs/dbraw/zinc/08/04/55/284080455.db2.gz FCTILQKGWHXDOE-CQSZACIVSA-N 2 1 308.470 3.137 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC000111684388 284080456 /nfs/dbraw/zinc/08/04/56/284080456.db2.gz FCTILQKGWHXDOE-CQSZACIVSA-N 2 1 308.470 3.137 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469086041 244082181 /nfs/dbraw/zinc/08/21/81/244082181.db2.gz QIYBYOMRKQXWDN-SXLOBPIMSA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469086041 244082187 /nfs/dbraw/zinc/08/21/87/244082187.db2.gz QIYBYOMRKQXWDN-SXLOBPIMSA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469086041 244082190 /nfs/dbraw/zinc/08/21/90/244082190.db2.gz QIYBYOMRKQXWDN-SXLOBPIMSA-N 2 1 321.553 3.351 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000470019985 244139999 /nfs/dbraw/zinc/13/99/99/244139999.db2.gz WDERNGPDFXXLNN-CHWSQXEVSA-N 2 1 311.267 3.094 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000470019985 244140011 /nfs/dbraw/zinc/14/00/11/244140011.db2.gz WDERNGPDFXXLNN-CHWSQXEVSA-N 2 1 311.267 3.094 20 0 DGADMP C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105290 284134682 /nfs/dbraw/zinc/13/46/82/284134682.db2.gz JNYSSPWTLYPVOE-ZWKOTPCHSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119105290 284134685 /nfs/dbraw/zinc/13/46/85/284134685.db2.gz JNYSSPWTLYPVOE-ZWKOTPCHSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105290 284134688 /nfs/dbraw/zinc/13/46/88/284134688.db2.gz JNYSSPWTLYPVOE-ZWKOTPCHSA-N 3 1 307.526 3.105 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472445908 244303434 /nfs/dbraw/zinc/30/34/34/244303434.db2.gz IGFCEQYIILQRQV-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472445908 244303438 /nfs/dbraw/zinc/30/34/38/244303438.db2.gz IGFCEQYIILQRQV-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472445908 244303443 /nfs/dbraw/zinc/30/34/43/244303443.db2.gz IGFCEQYIILQRQV-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472445908 244303449 /nfs/dbraw/zinc/30/34/49/244303449.db2.gz IGFCEQYIILQRQV-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563836 193267976 /nfs/dbraw/zinc/26/79/76/193267976.db2.gz OTZTZTOZBMFMIY-LJQANCHMSA-N 2 1 315.461 3.095 20 0 DGADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563836 193267977 /nfs/dbraw/zinc/26/79/77/193267977.db2.gz OTZTZTOZBMFMIY-LJQANCHMSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093693051 193291145 /nfs/dbraw/zinc/29/11/45/193291145.db2.gz ZWOFIUFPKSLCGV-INIZCTEOSA-N 2 1 312.461 3.240 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093693051 193291146 /nfs/dbraw/zinc/29/11/46/193291146.db2.gz ZWOFIUFPKSLCGV-INIZCTEOSA-N 2 1 312.461 3.240 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769951 193303317 /nfs/dbraw/zinc/30/33/17/193303317.db2.gz ZTFFAVGYBFCXNA-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769951 193303319 /nfs/dbraw/zinc/30/33/19/193303319.db2.gz ZTFFAVGYBFCXNA-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769951 193303320 /nfs/dbraw/zinc/30/33/20/193303320.db2.gz ZTFFAVGYBFCXNA-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093769951 193303322 /nfs/dbraw/zinc/30/33/22/193303322.db2.gz ZTFFAVGYBFCXNA-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(-n2cccn2)c1 ZINC000093659902 193284423 /nfs/dbraw/zinc/28/44/23/193284423.db2.gz BIUHSQVVDJBKOA-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(-n2cccn2)c1 ZINC000093659902 193284424 /nfs/dbraw/zinc/28/44/24/193284424.db2.gz BIUHSQVVDJBKOA-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(-n2cccn2)c1 ZINC000093659902 193284426 /nfs/dbraw/zinc/28/44/26/193284426.db2.gz BIUHSQVVDJBKOA-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000121186926 284190278 /nfs/dbraw/zinc/19/02/78/284190278.db2.gz NILIFUURJPVUMU-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000487283214 245045344 /nfs/dbraw/zinc/04/53/44/245045344.db2.gz XZFGJQPGPQPKIK-SJLPKXTDSA-N 2 1 322.518 3.039 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000487283214 245045349 /nfs/dbraw/zinc/04/53/49/245045349.db2.gz XZFGJQPGPQPKIK-SJLPKXTDSA-N 2 1 322.518 3.039 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911356 212026432 /nfs/dbraw/zinc/02/64/32/212026432.db2.gz NFTZQLKKUWBQRS-VBSBHUPXSA-N 2 1 316.489 3.038 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000122904344 284228457 /nfs/dbraw/zinc/22/84/57/284228457.db2.gz HAEMIUDOBVEFHX-ZWKOTPCHSA-N 2 1 304.478 3.127 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000264841952 204201284 /nfs/dbraw/zinc/20/12/84/204201284.db2.gz GWGFVLFIEHVDIO-IBGZPJMESA-N 2 1 314.473 3.299 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268713603 432124411 /nfs/dbraw/zinc/12/44/11/432124411.db2.gz LIWOZNZLIVWLRX-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000268713603 432124415 /nfs/dbraw/zinc/12/44/15/432124415.db2.gz LIWOZNZLIVWLRX-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(C)c1OC(F)F ZINC000271789888 209216912 /nfs/dbraw/zinc/21/69/12/209216912.db2.gz GLMSAGHRUHIHND-UHFFFAOYSA-N 2 1 310.388 3.256 20 0 DGADMP Cc1cnc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000266194943 205175148 /nfs/dbraw/zinc/17/51/48/205175148.db2.gz ZXPQANRXABVKTN-UHFFFAOYSA-N 2 1 319.474 3.072 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268765424 432128958 /nfs/dbraw/zinc/12/89/58/432128958.db2.gz NOYPBGYKIYLBAC-ICSRJNTNSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765424 432128963 /nfs/dbraw/zinc/12/89/63/432128963.db2.gz NOYPBGYKIYLBAC-ICSRJNTNSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765424 432128966 /nfs/dbraw/zinc/12/89/66/432128966.db2.gz NOYPBGYKIYLBAC-ICSRJNTNSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268775299 432130257 /nfs/dbraw/zinc/13/02/57/432130257.db2.gz RHHORGVSWMSTCR-INIZCTEOSA-N 2 1 300.450 3.253 20 0 DGADMP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000268785071 432132273 /nfs/dbraw/zinc/13/22/73/432132273.db2.gz ZQUMRZGEPBALTC-XUJVJEKNSA-N 2 1 310.388 3.421 20 0 DGADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000268785071 432132277 /nfs/dbraw/zinc/13/22/77/432132277.db2.gz ZQUMRZGEPBALTC-XUJVJEKNSA-N 2 1 310.388 3.421 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783650 432133082 /nfs/dbraw/zinc/13/30/82/432133082.db2.gz VBOHCCJHWJILPB-QGZVFWFLSA-N 3 1 321.509 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268791109 432134889 /nfs/dbraw/zinc/13/48/89/432134889.db2.gz GEYKMEOZOWGFOI-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268791109 432134891 /nfs/dbraw/zinc/13/48/91/432134891.db2.gz GEYKMEOZOWGFOI-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495007658 246222544 /nfs/dbraw/zinc/22/25/44/246222544.db2.gz VRXISHXRZGHBDC-IUDNXUCKSA-N 2 1 308.470 3.114 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495007658 246222549 /nfs/dbraw/zinc/22/25/49/246222549.db2.gz VRXISHXRZGHBDC-IUDNXUCKSA-N 2 1 308.470 3.114 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000495045385 246226883 /nfs/dbraw/zinc/22/68/83/246226883.db2.gz LWEWFWKBWYMWNQ-WTLGNFPFSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@H+]1C ZINC000495045385 246226886 /nfs/dbraw/zinc/22/68/86/246226886.db2.gz LWEWFWKBWYMWNQ-WTLGNFPFSA-N 2 1 320.452 3.366 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246457462 432135158 /nfs/dbraw/zinc/13/51/58/432135158.db2.gz POYNAVIGOKCGQR-VBQJREDUSA-N 2 1 310.869 3.427 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000268791689 432135204 /nfs/dbraw/zinc/13/52/04/432135204.db2.gz YEUDEKUMINWMGO-HNNXBMFYSA-N 2 1 319.449 3.024 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000268791689 432135209 /nfs/dbraw/zinc/13/52/09/432135209.db2.gz YEUDEKUMINWMGO-HNNXBMFYSA-N 2 1 319.449 3.024 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000268802006 432135879 /nfs/dbraw/zinc/13/58/79/432135879.db2.gz BFNOJXUKGUGXMJ-GXTWGEPZSA-N 2 1 300.368 3.320 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000268795969 432137276 /nfs/dbraw/zinc/13/72/76/432137276.db2.gz ZWZGBJVZJQCXCL-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000268795211 432137400 /nfs/dbraw/zinc/13/74/00/432137400.db2.gz ZPIMKXLAHSFLHD-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000268795211 432137402 /nfs/dbraw/zinc/13/74/02/432137402.db2.gz ZPIMKXLAHSFLHD-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268816011 432141064 /nfs/dbraw/zinc/14/10/64/432141064.db2.gz GGSKVBZMQXAQHR-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822688 432142927 /nfs/dbraw/zinc/14/29/27/432142927.db2.gz SMRRHFRZMAYCOX-DYESRHJHSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822688 432142930 /nfs/dbraw/zinc/14/29/30/432142930.db2.gz SMRRHFRZMAYCOX-DYESRHJHSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000268857687 432144931 /nfs/dbraw/zinc/14/49/31/432144931.db2.gz CXMMLQJTJBEBKD-OHDICMOHSA-N 2 1 318.505 3.336 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000268868300 432145916 /nfs/dbraw/zinc/14/59/16/432145916.db2.gz GYGDFFJAQWZKMZ-BQGCOEIASA-N 2 1 310.869 3.346 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000271883849 209293440 /nfs/dbraw/zinc/29/34/40/209293440.db2.gz QDDSNQXVPPPGLM-HNNXBMFYSA-N 2 1 318.461 3.397 20 0 DGADMP C[C@@H]1CC(C)(C)C[N@H+]1CC1(C[NH+]2CC(C)(C)C[C@@H]2C)COC1 ZINC000412042565 296284387 /nfs/dbraw/zinc/28/43/87/296284387.db2.gz MMXNSESPWYXHAT-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]1CC(C)(C)C[N@@H+]1CC1(C[NH+]2CC(C)(C)C[C@@H]2C)COC1 ZINC000412042565 296284388 /nfs/dbraw/zinc/28/43/88/296284388.db2.gz MMXNSESPWYXHAT-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]1CC(C)(C)C[NH+]1CC1(C[N@@H+]2CC(C)(C)C[C@@H]2C)COC1 ZINC000412042565 296284386 /nfs/dbraw/zinc/28/43/86/296284386.db2.gz MMXNSESPWYXHAT-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]1CC(C)(C)C[NH+]1CC1(C[N@@H+]2CC(C)(C)C[C@H]2C)COC1 ZINC000412042562 296284429 /nfs/dbraw/zinc/28/44/29/296284429.db2.gz MMXNSESPWYXHAT-HZPDHXFCSA-N 2 1 308.510 3.244 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443556 194104035 /nfs/dbraw/zinc/10/40/35/194104035.db2.gz PPLONGBZHMLKPK-CQSZACIVSA-N 2 1 317.433 3.025 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000105443542 194104352 /nfs/dbraw/zinc/10/43/52/194104352.db2.gz XPTZRSQDUXZIHG-LBPRGKRZSA-N 2 1 309.360 3.219 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000105457194 194104549 /nfs/dbraw/zinc/10/45/49/194104549.db2.gz WAGRHSNAVSWPBM-OAHLLOKOSA-N 2 1 316.449 3.188 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285128729 218301054 /nfs/dbraw/zinc/30/10/54/218301054.db2.gz LKLQQRZEPHTDIC-GYWMAHDHSA-N 2 1 316.489 3.346 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268778532 206949516 /nfs/dbraw/zinc/94/95/16/206949516.db2.gz WUIZJVVYOUAXKF-HNNXBMFYSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846031 207012171 /nfs/dbraw/zinc/01/21/71/207012171.db2.gz VLTJSDJORCXKCQ-SCVCMEIPSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000268846031 207012175 /nfs/dbraw/zinc/01/21/75/207012175.db2.gz VLTJSDJORCXKCQ-SCVCMEIPSA-N 2 1 317.296 3.329 20 0 DGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000268879636 207048904 /nfs/dbraw/zinc/04/89/04/207048904.db2.gz RCVZZZWPCGUKQU-MRXNPFEDSA-N 2 1 315.417 3.094 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268889169 207058855 /nfs/dbraw/zinc/05/88/55/207058855.db2.gz NLZCHMGSMANABT-PBWTXFEYSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268889169 207058859 /nfs/dbraw/zinc/05/88/59/207058859.db2.gz NLZCHMGSMANABT-PBWTXFEYSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268891692 207062094 /nfs/dbraw/zinc/06/20/94/207062094.db2.gz DDEZIUIBDMBFCQ-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1Cc1ccccc1 ZINC000268891692 207062097 /nfs/dbraw/zinc/06/20/97/207062097.db2.gz DDEZIUIBDMBFCQ-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000268991512 207148961 /nfs/dbraw/zinc/14/89/61/207148961.db2.gz MSFVDWLQOADVFS-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268993901 207152548 /nfs/dbraw/zinc/15/25/48/207152548.db2.gz SAFIRVRDDWDKKJ-QWFCFKBJSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)OCO2 ZINC000268999892 207157052 /nfs/dbraw/zinc/15/70/52/207157052.db2.gz LKOGNSJZQSPXEV-CYBMUJFWSA-N 2 1 302.418 3.083 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269003603 207158625 /nfs/dbraw/zinc/15/86/25/207158625.db2.gz VOMXYYSRPNJWKE-GGPKGHCWSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269003603 207158628 /nfs/dbraw/zinc/15/86/28/207158628.db2.gz VOMXYYSRPNJWKE-GGPKGHCWSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)CCO)cc1 ZINC000269016704 207169808 /nfs/dbraw/zinc/16/98/08/207169808.db2.gz YRUDSHJGVAHWGZ-AWEZNQCLSA-N 2 1 301.434 3.240 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000269055327 207204093 /nfs/dbraw/zinc/20/40/93/207204093.db2.gz SBIMTJVCIWCALK-HKUYNNGSSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000269055327 207204096 /nfs/dbraw/zinc/20/40/96/207204096.db2.gz SBIMTJVCIWCALK-HKUYNNGSSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1nc(COc2ccc(C[NH2+]CCC[NH+](C)C)cc2)cs1 ZINC000066067862 184386692 /nfs/dbraw/zinc/38/66/92/184386692.db2.gz DJDLVQDQRRBWKF-UHFFFAOYSA-N 2 1 319.474 3.072 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCCCCC[NH3+] ZINC000269225707 207345989 /nfs/dbraw/zinc/34/59/89/207345989.db2.gz DIUOZVXSKLREHS-UHFFFAOYSA-N 2 1 319.493 3.052 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000249128855 285058634 /nfs/dbraw/zinc/05/86/34/285058634.db2.gz XRDLAURNSNYJKE-ZACQAIPSSA-N 2 1 308.853 3.244 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)CC1 ZINC000336833697 253004110 /nfs/dbraw/zinc/00/41/10/253004110.db2.gz DKIFWXGOBMXXGY-OAHLLOKOSA-N 2 1 305.491 3.184 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000336854249 253008857 /nfs/dbraw/zinc/00/88/57/253008857.db2.gz NMEPMPQZOYSQGY-JSGCOSHPSA-N 2 1 324.852 3.074 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000336854249 253008859 /nfs/dbraw/zinc/00/88/59/253008859.db2.gz NMEPMPQZOYSQGY-JSGCOSHPSA-N 2 1 324.852 3.074 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000336855546 253009073 /nfs/dbraw/zinc/00/90/73/253009073.db2.gz IJPHMMCAXFMPTI-UHFFFAOYSA-N 3 1 306.498 3.026 20 0 DGADMP C[C@H](CC[N@@H+](C)CCC[NH+]1CCCC1)OCc1ccccc1 ZINC000337204132 253061384 /nfs/dbraw/zinc/06/13/84/253061384.db2.gz HIBYYHFHQDWOKE-GOSISDBHSA-N 2 1 304.478 3.400 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000337327939 253088066 /nfs/dbraw/zinc/08/80/66/253088066.db2.gz DPIIYMFLNBQRBP-KRWDZBQOSA-N 2 1 304.478 3.363 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC3(CCCC3)C2)CC1 ZINC000337445446 253117518 /nfs/dbraw/zinc/11/75/18/253117518.db2.gz BZHLJRNHIVGCJZ-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337332001 253089805 /nfs/dbraw/zinc/08/98/05/253089805.db2.gz HWLHDKSFRIFRNP-LMMKCTJWSA-N 2 1 301.478 3.429 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000337540326 253135704 /nfs/dbraw/zinc/13/57/04/253135704.db2.gz IDNHDTWNMVCLJA-SFHVURJKSA-N 2 1 308.441 3.223 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1Cc2ccccc2C1 ZINC000337637334 253151986 /nfs/dbraw/zinc/15/19/86/253151986.db2.gz UEXGUPAGOIHWNA-UHFFFAOYSA-N 2 1 303.409 3.472 20 0 DGADMP Cc1n[nH]cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174358 253237277 /nfs/dbraw/zinc/23/72/77/253237277.db2.gz BBXMNNWNYWRFHR-CRAIPNDOSA-N 2 1 312.461 3.108 20 0 DGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000338265354 253252955 /nfs/dbraw/zinc/25/29/55/253252955.db2.gz IYWZQCHUAQTOFX-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000338265354 253252957 /nfs/dbraw/zinc/25/29/57/253252957.db2.gz IYWZQCHUAQTOFX-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O)c3nc(C)ccc23)CC1 ZINC000338302747 253261916 /nfs/dbraw/zinc/26/19/16/253261916.db2.gz FMVQFOVQIXRLKK-UHFFFAOYSA-N 2 1 313.445 3.165 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c3nc(C)ccc23)CC1 ZINC000338302747 253261917 /nfs/dbraw/zinc/26/19/17/253261917.db2.gz FMVQFOVQIXRLKK-UHFFFAOYSA-N 2 1 313.445 3.165 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000338430009 253286437 /nfs/dbraw/zinc/28/64/37/253286437.db2.gz ISXZXYXVLLRUHN-ZJPYXAASSA-N 2 1 323.525 3.019 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338323495 253265576 /nfs/dbraw/zinc/26/55/76/253265576.db2.gz ZYGZRRVFOZOSJM-HOTGVXAUSA-N 2 1 318.452 3.245 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338323502 253265822 /nfs/dbraw/zinc/26/58/22/253265822.db2.gz ZYGZRRVFOZOSJM-JKSUJKDBSA-N 2 1 318.452 3.245 20 0 DGADMP CC(C)CCC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000338447961 253289716 /nfs/dbraw/zinc/28/97/16/253289716.db2.gz SCUXAWYHPKUCSV-IBGZPJMESA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)CCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000338447961 253289718 /nfs/dbraw/zinc/28/97/18/253289718.db2.gz SCUXAWYHPKUCSV-IBGZPJMESA-N 2 1 304.478 3.303 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000158877931 197308465 /nfs/dbraw/zinc/30/84/65/197308465.db2.gz NZXHQUCTUYZEKN-YJBOKZPZSA-N 2 1 317.477 3.245 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000342628249 254021713 /nfs/dbraw/zinc/02/17/13/254021713.db2.gz QXCIEPIJDOBXSH-LBPRGKRZSA-N 2 1 311.857 3.269 20 0 DGADMP CCC1CC([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000342690489 254033105 /nfs/dbraw/zinc/03/31/05/254033105.db2.gz RIERIVVXWAQHKG-UHFFFAOYSA-N 2 1 305.466 3.282 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000342921819 254075503 /nfs/dbraw/zinc/07/55/03/254075503.db2.gz VHIPPALGVVCWBQ-SFHVURJKSA-N 2 1 304.478 3.236 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000342953568 254080653 /nfs/dbraw/zinc/08/06/53/254080653.db2.gz SUFKZIDBYUJUEE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000342953568 254080654 /nfs/dbraw/zinc/08/06/54/254080654.db2.gz SUFKZIDBYUJUEE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953568 254080655 /nfs/dbraw/zinc/08/06/55/254080655.db2.gz SUFKZIDBYUJUEE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953568 254080656 /nfs/dbraw/zinc/08/06/56/254080656.db2.gz SUFKZIDBYUJUEE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000343467135 254147934 /nfs/dbraw/zinc/14/79/34/254147934.db2.gz JZRRIKFRLJLRIK-FGTMMUONSA-N 2 1 301.478 3.346 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000343467137 254148212 /nfs/dbraw/zinc/14/82/12/254148212.db2.gz JZRRIKFRLJLRIK-KZNAEPCWSA-N 2 1 301.478 3.346 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2cnccn2)CC1)CC1CC1 ZINC000343558519 254160378 /nfs/dbraw/zinc/16/03/78/254160378.db2.gz WOUVEHRVSXAKBD-INIZCTEOSA-N 2 1 316.493 3.372 20 0 DGADMP COc1cc(C)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000343764096 254186010 /nfs/dbraw/zinc/18/60/10/254186010.db2.gz JVUUADKXDLPASC-UHFFFAOYSA-N 2 1 318.461 3.119 20 0 DGADMP CCC1(CC)[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H](C)[C@H]1OC ZINC000344082500 254222627 /nfs/dbraw/zinc/22/26/27/254222627.db2.gz ZEJOACISRFVOHX-USXIJHARSA-N 2 1 307.482 3.401 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000343991385 254209973 /nfs/dbraw/zinc/20/99/73/254209973.db2.gz QDMDSFBKCZKMJE-BBWFWOEESA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000343991385 254209975 /nfs/dbraw/zinc/20/99/75/254209975.db2.gz QDMDSFBKCZKMJE-BBWFWOEESA-N 2 1 306.498 3.156 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3CC=CCC3)CCCC2)CC1 ZINC000344483008 254276045 /nfs/dbraw/zinc/27/60/45/254276045.db2.gz LFVHQUHIPWVJIK-KRWDZBQOSA-N 2 1 306.494 3.356 20 0 DGADMP CCCOc1c(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1OCC ZINC000344686451 254295646 /nfs/dbraw/zinc/29/56/46/254295646.db2.gz RVFBUZGSYFDCHD-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cccc1OCC ZINC000344686451 254295647 /nfs/dbraw/zinc/29/56/47/254295647.db2.gz RVFBUZGSYFDCHD-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(Cl)c1OC ZINC000345150654 254334075 /nfs/dbraw/zinc/33/40/75/254334075.db2.gz YVHZZUJBBYNYBI-UHFFFAOYSA-N 2 1 324.852 3.099 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000344798458 254306838 /nfs/dbraw/zinc/30/68/38/254306838.db2.gz CTMRQJKNCAIILW-ROUUACIJSA-N 2 1 306.498 3.454 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000345197949 254339959 /nfs/dbraw/zinc/33/99/59/254339959.db2.gz GRJHUEOGIDUXMS-HNNXBMFYSA-N 2 1 311.267 3.413 20 0 DGADMP CC[N@@H+](CCOc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345206336 254341077 /nfs/dbraw/zinc/34/10/77/254341077.db2.gz PJVNKQDZVYRPFX-CQSZACIVSA-N 2 1 314.832 3.322 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000156598741 197126482 /nfs/dbraw/zinc/12/64/82/197126482.db2.gz PYHWJHXREDSAPO-MJGOQNOKSA-N 2 1 309.457 3.297 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000154874465 197000979 /nfs/dbraw/zinc/00/09/79/197000979.db2.gz BHLGMZFSLJFOGI-FQEVSTJZSA-N 2 1 318.505 3.344 20 0 DGADMP c1c[nH]c([C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CCCCC2)n1 ZINC000287323730 285240227 /nfs/dbraw/zinc/24/02/27/285240227.db2.gz FQMVRNOYEGUSOV-RHSMWYFYSA-N 2 1 313.449 3.080 20 0 DGADMP C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cncc(F)c1 ZINC000120656904 195210145 /nfs/dbraw/zinc/21/01/45/195210145.db2.gz NQSJSZVSROVZEN-VCBZYWHSSA-N 2 1 313.420 3.392 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000271577325 209027364 /nfs/dbraw/zinc/02/73/64/209027364.db2.gz QNWPAXXPAFOHBA-RVKKMQEKSA-N 2 1 304.453 3.467 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294935862 224323183 /nfs/dbraw/zinc/32/31/83/224323183.db2.gz BWZKWAMLPZKWIU-SOLBZPMBSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294934283 224321267 /nfs/dbraw/zinc/32/12/67/224321267.db2.gz ZRZWJBIFZQINLY-ZHALLVOQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294934283 224321268 /nfs/dbraw/zinc/32/12/68/224321268.db2.gz ZRZWJBIFZQINLY-ZHALLVOQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000289978596 221356935 /nfs/dbraw/zinc/35/69/35/221356935.db2.gz ZLKREEUNEWAKFJ-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1O ZINC000290001107 221372650 /nfs/dbraw/zinc/37/26/50/221372650.db2.gz ZAPFWNIMLXBXFX-CABCVRRESA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1O ZINC000290001107 221372652 /nfs/dbraw/zinc/37/26/52/221372652.db2.gz ZAPFWNIMLXBXFX-CABCVRRESA-N 2 1 306.450 3.316 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000295039744 224396613 /nfs/dbraw/zinc/39/66/13/224396613.db2.gz MMUJZNOCJIYIGJ-KBPBESRZSA-N 2 1 301.434 3.381 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352536018 285353642 /nfs/dbraw/zinc/35/36/42/285353642.db2.gz YIGLMFFZIAMCCR-SFHVURJKSA-N 2 1 300.402 3.017 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352536018 285353644 /nfs/dbraw/zinc/35/36/44/285353644.db2.gz YIGLMFFZIAMCCR-SFHVURJKSA-N 2 1 300.402 3.017 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539772 285355515 /nfs/dbraw/zinc/35/55/15/285355515.db2.gz CNMYLUICJDXUKW-SFHVURJKSA-N 2 1 313.470 3.386 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539772 285355517 /nfs/dbraw/zinc/35/55/17/285355517.db2.gz CNMYLUICJDXUKW-SFHVURJKSA-N 2 1 313.470 3.386 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000353452538 285359228 /nfs/dbraw/zinc/35/92/28/285359228.db2.gz BYBQODFBWHSEML-LBPRGKRZSA-N 2 1 322.474 3.060 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121916246 195373725 /nfs/dbraw/zinc/37/37/25/195373725.db2.gz NKOROLDFJXHLTO-AWEZNQCLSA-N 2 1 301.434 3.382 20 0 DGADMP CC[NH+]1CCC([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000449405733 535473596 /nfs/dbraw/zinc/47/35/96/535473596.db2.gz ZTOKSEXMIAHLFP-UHFFFAOYSA-N 2 1 317.260 3.446 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1N(C)C ZINC000295917274 533341557 /nfs/dbraw/zinc/34/15/57/533341557.db2.gz JORBRIOTFASEST-OHRKKDJYSA-N 2 1 305.441 3.168 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1N(C)C ZINC000295917274 533341562 /nfs/dbraw/zinc/34/15/62/533341562.db2.gz JORBRIOTFASEST-OHRKKDJYSA-N 2 1 305.441 3.168 20 0 DGADMP COc1ccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422741692 533474830 /nfs/dbraw/zinc/47/48/30/533474830.db2.gz QAEVLOLCQPMCMA-UZLBHIALSA-N 2 1 312.457 3.176 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309837148 533538118 /nfs/dbraw/zinc/53/81/18/533538118.db2.gz IVHPXYMUHAQHKE-ICSRJNTNSA-N 3 1 317.521 3.396 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415053166 533555689 /nfs/dbraw/zinc/55/56/89/533555689.db2.gz OIBDGEUJTSEIIZ-GOEBONIOSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415053166 533555692 /nfs/dbraw/zinc/55/56/92/533555692.db2.gz OIBDGEUJTSEIIZ-GOEBONIOSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Br)c1 ZINC000164119667 132129237 /nfs/dbraw/zinc/12/92/37/132129237.db2.gz YPPISIBZGOJXRP-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000357656980 285817211 /nfs/dbraw/zinc/81/72/11/285817211.db2.gz QIGUDVWNMFKAND-INIZCTEOSA-N 2 1 309.523 3.159 20 0 DGADMP CCc1ccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)cc1 ZINC000091306447 400111953 /nfs/dbraw/zinc/11/19/53/400111953.db2.gz PTAYVZIZYSZCSW-FQEVSTJZSA-N 2 1 318.505 3.383 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000090975017 400084875 /nfs/dbraw/zinc/08/48/75/400084875.db2.gz CMPIZFOGZKVWJR-RDHHWEPZSA-N 2 1 324.509 3.207 20 0 DGADMP CCC[C@@H](C(=O)OCC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609635444 400183843 /nfs/dbraw/zinc/18/38/43/400183843.db2.gz UXZKOJZWTOSTRZ-SFHVURJKSA-N 2 1 324.509 3.306 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000091675542 400130865 /nfs/dbraw/zinc/13/08/65/400130865.db2.gz KINHHZKFZWWNQG-UHFFFAOYSA-N 2 1 314.832 3.274 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000091675542 400130869 /nfs/dbraw/zinc/13/08/69/400130869.db2.gz KINHHZKFZWWNQG-UHFFFAOYSA-N 2 1 314.832 3.274 20 0 DGADMP COc1cccnc1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788619 400132011 /nfs/dbraw/zinc/13/20/11/400132011.db2.gz NZUBEIVTURVFQM-DOTOQJQBSA-N 2 1 311.429 3.413 20 0 DGADMP COc1cccnc1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788620 400132185 /nfs/dbraw/zinc/13/21/85/400132185.db2.gz NZUBEIVTURVFQM-NVXWUHKLSA-N 2 1 311.429 3.413 20 0 DGADMP CC[C@](C)(COc1ncccc1Cl)[NH2+]CCn1cc[nH+]c1C ZINC000091688694 400132346 /nfs/dbraw/zinc/13/23/46/400132346.db2.gz NLQVLKHCVAFFDS-MRXNPFEDSA-N 2 1 322.840 3.077 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000092043100 400149915 /nfs/dbraw/zinc/14/99/15/400149915.db2.gz JKAJUOOBCDBOKQ-DYVFJYSZSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000092043100 400149918 /nfs/dbraw/zinc/14/99/18/400149918.db2.gz JKAJUOOBCDBOKQ-DYVFJYSZSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000092043100 400149922 /nfs/dbraw/zinc/14/99/22/400149922.db2.gz JKAJUOOBCDBOKQ-DYVFJYSZSA-N 2 1 302.393 3.488 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000093503664 400247680 /nfs/dbraw/zinc/24/76/80/400247680.db2.gz GYURWAIYVSVZRQ-CALCHBBNSA-N 2 1 315.505 3.305 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589641837 400314775 /nfs/dbraw/zinc/31/47/75/400314775.db2.gz QJCGZYFAYPDWPZ-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000589641837 400314776 /nfs/dbraw/zinc/31/47/76/400314776.db2.gz QJCGZYFAYPDWPZ-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000589641837 400314777 /nfs/dbraw/zinc/31/47/77/400314777.db2.gz QJCGZYFAYPDWPZ-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000069249055 400319977 /nfs/dbraw/zinc/31/99/77/400319977.db2.gz KITOIISYNYKDIL-LJQANCHMSA-N 2 1 318.509 3.088 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000069249055 400319982 /nfs/dbraw/zinc/31/99/82/400319982.db2.gz KITOIISYNYKDIL-LJQANCHMSA-N 2 1 318.509 3.088 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000040622454 400401479 /nfs/dbraw/zinc/40/14/79/400401479.db2.gz GBXSGFWWJKXPMB-NSHDSACASA-N 2 1 317.296 3.331 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000040621981 400402186 /nfs/dbraw/zinc/40/21/86/400402186.db2.gz FFROLXZTAHYTJI-NSHDSACASA-N 2 1 317.296 3.331 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000040621981 400402188 /nfs/dbraw/zinc/40/21/88/400402188.db2.gz FFROLXZTAHYTJI-NSHDSACASA-N 2 1 317.296 3.331 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000125568117 400483144 /nfs/dbraw/zinc/48/31/44/400483144.db2.gz HIGVLUIFRDSONT-GOSISDBHSA-N 3 1 321.553 3.495 20 0 DGADMP Brc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000591081934 400484527 /nfs/dbraw/zinc/48/45/27/400484527.db2.gz BWJUVTBVLZYPGS-OAHLLOKOSA-N 2 1 320.234 3.483 20 0 DGADMP Brc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000591081934 400484530 /nfs/dbraw/zinc/48/45/30/400484530.db2.gz BWJUVTBVLZYPGS-OAHLLOKOSA-N 2 1 320.234 3.483 20 0 DGADMP COC(=O)c1ccc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000597173413 400575849 /nfs/dbraw/zinc/57/58/49/400575849.db2.gz NQGPOSSUXQOHAC-ZDUSSCGKSA-N 2 1 324.852 3.089 20 0 DGADMP COC(=O)c1ccc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000597173413 400575851 /nfs/dbraw/zinc/57/58/51/400575851.db2.gz NQGPOSSUXQOHAC-ZDUSSCGKSA-N 2 1 324.852 3.089 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602668095 400531522 /nfs/dbraw/zinc/53/15/22/400531522.db2.gz TUAQBMLLJAGDPB-JQHSSLGASA-N 2 1 318.461 3.142 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602668095 400531527 /nfs/dbraw/zinc/53/15/27/400531527.db2.gz TUAQBMLLJAGDPB-JQHSSLGASA-N 2 1 318.461 3.142 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602668096 400531565 /nfs/dbraw/zinc/53/15/65/400531565.db2.gz TUAQBMLLJAGDPB-NJAFHUGGSA-N 2 1 318.461 3.142 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602668096 400531570 /nfs/dbraw/zinc/53/15/70/400531570.db2.gz TUAQBMLLJAGDPB-NJAFHUGGSA-N 2 1 318.461 3.142 20 0 DGADMP COC(=O)c1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1F ZINC000597060912 400550650 /nfs/dbraw/zinc/55/06/50/400550650.db2.gz MKQCUNNPHBQOAC-UHFFFAOYSA-N 2 1 324.440 3.211 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000603109545 400642799 /nfs/dbraw/zinc/64/27/99/400642799.db2.gz DEOUTGVKPRGDQX-OAHLLOKOSA-N 2 1 322.449 3.325 20 0 DGADMP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000604771454 400803662 /nfs/dbraw/zinc/80/36/62/400803662.db2.gz OFJQLGGUFNDZTI-UHFFFAOYSA-N 2 1 319.474 3.108 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598954743 400911178 /nfs/dbraw/zinc/91/11/78/400911178.db2.gz GIVIPJBJOLXKFT-CYBMUJFWSA-N 2 1 324.490 3.135 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598954743 400911182 /nfs/dbraw/zinc/91/11/82/400911182.db2.gz GIVIPJBJOLXKFT-CYBMUJFWSA-N 2 1 324.490 3.135 20 0 DGADMP COC(=O)CC1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000599026726 400931714 /nfs/dbraw/zinc/93/17/14/400931714.db2.gz YGIOKYSLKSYQJF-AOCRQIFASA-N 2 1 324.509 3.210 20 0 DGADMP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935877 400987278 /nfs/dbraw/zinc/98/72/78/400987278.db2.gz CDKRJWQWKZKVGO-MOPGFXCFSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935877 400987281 /nfs/dbraw/zinc/98/72/81/400987281.db2.gz CDKRJWQWKZKVGO-MOPGFXCFSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606935877 400987284 /nfs/dbraw/zinc/98/72/84/400987284.db2.gz CDKRJWQWKZKVGO-MOPGFXCFSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606935877 400987286 /nfs/dbraw/zinc/98/72/86/400987286.db2.gz CDKRJWQWKZKVGO-MOPGFXCFSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2cc(C)cc(C)c2)CC1 ZINC000599180005 400988357 /nfs/dbraw/zinc/98/83/57/400988357.db2.gz YAWKXTIPNDASRS-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000629653378 401019437 /nfs/dbraw/zinc/01/94/37/401019437.db2.gz IPJLOCYDHVEVSU-UXHICEINSA-N 2 1 311.473 3.197 20 0 DGADMP [NH3+]CCC[N@H+](CC1=Cc2ccccc2OC1)CC1CCCC1 ZINC000629653436 401020305 /nfs/dbraw/zinc/02/03/05/401020305.db2.gz IXGIJLFMTKZXNL-UHFFFAOYSA-N 2 1 300.446 3.303 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629654924 401020892 /nfs/dbraw/zinc/02/08/92/401020892.db2.gz JOXLZAUGRSGJID-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629654924 401020898 /nfs/dbraw/zinc/02/08/98/401020898.db2.gz JOXLZAUGRSGJID-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000629534382 400963796 /nfs/dbraw/zinc/96/37/96/400963796.db2.gz XXBGBMVXDFFKLU-APWZRJJASA-N 2 1 301.478 3.477 20 0 DGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532161 400963815 /nfs/dbraw/zinc/96/38/15/400963815.db2.gz ONTKEEKEYIYRBD-ZIAGYGMSSA-N 2 1 308.853 3.257 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533099 400963949 /nfs/dbraw/zinc/96/39/49/400963949.db2.gz HRDBTIGXTARTKF-WMZOPIPTSA-N 2 1 301.478 3.335 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594055214 400966959 /nfs/dbraw/zinc/96/69/59/400966959.db2.gz JOCMINQEOOHXLZ-UHFFFAOYSA-N 2 1 321.465 3.168 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594055214 400966965 /nfs/dbraw/zinc/96/69/65/400966965.db2.gz JOCMINQEOOHXLZ-UHFFFAOYSA-N 2 1 321.465 3.168 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000629559637 400975829 /nfs/dbraw/zinc/97/58/29/400975829.db2.gz BKSRJYSJZUVUJU-NXEZZACHSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000629559637 400975832 /nfs/dbraw/zinc/97/58/32/400975832.db2.gz BKSRJYSJZUVUJU-NXEZZACHSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@H]1C(F)(F)F ZINC000629562636 400977300 /nfs/dbraw/zinc/97/73/00/400977300.db2.gz ONCRCPSIXDENBM-DFBGVHRSSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC[C@H]1C(F)(F)F ZINC000629562636 400977303 /nfs/dbraw/zinc/97/73/03/400977303.db2.gz ONCRCPSIXDENBM-DFBGVHRSSA-N 2 1 316.342 3.272 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586407 401085139 /nfs/dbraw/zinc/08/51/39/401085139.db2.gz HXWZIPYSVPLRNT-BRWVUGGUSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586407 401085146 /nfs/dbraw/zinc/08/51/46/401085146.db2.gz HXWZIPYSVPLRNT-BRWVUGGUSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586407 401085152 /nfs/dbraw/zinc/08/51/52/401085152.db2.gz HXWZIPYSVPLRNT-BRWVUGGUSA-N 2 1 324.509 3.161 20 0 DGADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Sc2ccccc2)cc1 ZINC000629665874 401028721 /nfs/dbraw/zinc/02/87/21/401028721.db2.gz QMSFJTKHMCOECH-UHFFFAOYSA-N 2 1 316.470 3.245 20 0 DGADMP CCOc1cncc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000621328942 401168165 /nfs/dbraw/zinc/16/81/65/401168165.db2.gz JHWJJGZMXCVVFP-MRXNPFEDSA-N 2 1 305.466 3.082 20 0 DGADMP CCCc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000621334874 401170970 /nfs/dbraw/zinc/17/09/70/401170970.db2.gz UKELKQCGNNZVDY-UHFFFAOYSA-N 2 1 323.550 3.064 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000630060982 401173680 /nfs/dbraw/zinc/17/36/80/401173680.db2.gz UZQGAZBIKNKIPZ-YZGWKJHDSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000630060982 401173685 /nfs/dbraw/zinc/17/36/85/401173685.db2.gz UZQGAZBIKNKIPZ-YZGWKJHDSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000621373806 401190645 /nfs/dbraw/zinc/19/06/45/401190645.db2.gz OPUMYFGYXMIHNA-XLIONFOSSA-N 2 1 316.489 3.123 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000090537053 401269471 /nfs/dbraw/zinc/26/94/71/401269471.db2.gz CGYSSUXPUMYOHK-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000090537053 401269473 /nfs/dbraw/zinc/26/94/73/401269473.db2.gz CGYSSUXPUMYOHK-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP CCOCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000625977455 401270017 /nfs/dbraw/zinc/27/00/17/401270017.db2.gz JCWYAMOLNDBCDK-IBGZPJMESA-N 2 1 313.445 3.218 20 0 DGADMP CCOCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000625977455 401270022 /nfs/dbraw/zinc/27/00/22/401270022.db2.gz JCWYAMOLNDBCDK-IBGZPJMESA-N 2 1 313.445 3.218 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000090589935 401270054 /nfs/dbraw/zinc/27/00/54/401270054.db2.gz QGCZMVUXEDBQEC-NEWSRXKRSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000090589935 401270057 /nfs/dbraw/zinc/27/00/57/401270057.db2.gz QGCZMVUXEDBQEC-NEWSRXKRSA-N 2 1 318.505 3.426 20 0 DGADMP CS[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090724957 401272591 /nfs/dbraw/zinc/27/25/91/401272591.db2.gz PLRPAITXIGAXBH-CQSZACIVSA-N 2 1 310.482 3.174 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000621719382 401284090 /nfs/dbraw/zinc/28/40/90/401284090.db2.gz LCMDVDGRNPAMJC-BMGDILEWSA-N 2 1 322.518 3.384 20 0 DGADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000358366299 286043093 /nfs/dbraw/zinc/04/30/93/286043093.db2.gz KTJLWNQBPBINLQ-CABCVRRESA-N 2 1 306.400 3.213 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1F ZINC000626123841 401305916 /nfs/dbraw/zinc/30/59/16/401305916.db2.gz AYXSVNMNQLCBQL-IRXDYDNUSA-N 2 1 320.452 3.498 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1F ZINC000626126363 401307102 /nfs/dbraw/zinc/30/71/02/401307102.db2.gz MUVZEDHERUJIEM-JKSUJKDBSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1F ZINC000626126363 401307105 /nfs/dbraw/zinc/30/71/05/401307105.db2.gz MUVZEDHERUJIEM-JKSUJKDBSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1F ZINC000626126363 401307109 /nfs/dbraw/zinc/30/71/09/401307109.db2.gz MUVZEDHERUJIEM-JKSUJKDBSA-N 2 1 306.425 3.108 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000634679297 401331737 /nfs/dbraw/zinc/33/17/37/401331737.db2.gz QCCWTPKKSKPHHW-RTBURBONSA-N 2 1 316.489 3.098 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000634732227 401340767 /nfs/dbraw/zinc/34/07/67/401340767.db2.gz BAAJNGBSBGRJQF-KRWDZBQOSA-N 2 1 310.445 3.011 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)CC2)C1 ZINC000634732315 401340808 /nfs/dbraw/zinc/34/08/08/401340808.db2.gz COUFDBHWEGRJFZ-QRQLOZEOSA-N 3 1 321.553 3.397 20 0 DGADMP CC[N@@H+](CCCn1ccnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062823 401292756 /nfs/dbraw/zinc/29/27/56/401292756.db2.gz IGNOUBWXIAUFCV-UHFFFAOYSA-N 2 1 314.477 3.165 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062823 401292757 /nfs/dbraw/zinc/29/27/57/401292757.db2.gz IGNOUBWXIAUFCV-UHFFFAOYSA-N 3 1 314.477 3.165 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062823 401292759 /nfs/dbraw/zinc/29/27/59/401292759.db2.gz IGNOUBWXIAUFCV-UHFFFAOYSA-N 3 1 314.477 3.165 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631052750 401378902 /nfs/dbraw/zinc/37/89/02/401378902.db2.gz QUADWWAGOCOIKE-UHFFFAOYSA-N 2 1 316.420 3.179 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005681 401400185 /nfs/dbraw/zinc/40/01/85/401400185.db2.gz JXALDPIMLUSTQK-QGZVKYPTSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005681 401400189 /nfs/dbraw/zinc/40/01/89/401400189.db2.gz JXALDPIMLUSTQK-QGZVKYPTSA-N 3 1 315.505 3.004 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000631185694 401419166 /nfs/dbraw/zinc/41/91/66/401419166.db2.gz ABGPRKOCHXTISF-FJIDUMEYSA-N 2 1 320.864 3.386 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000631195560 401422970 /nfs/dbraw/zinc/42/29/70/401422970.db2.gz ZBSHSLOZCQXVLF-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195977 401423591 /nfs/dbraw/zinc/42/35/91/401423591.db2.gz LVDCPQGTSVKUTO-XLIONFOSSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000631197156 401423810 /nfs/dbraw/zinc/42/38/10/401423810.db2.gz XUNZIHMQPIDKFO-NJAFHUGGSA-N 2 1 304.503 3.097 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000623086502 401462827 /nfs/dbraw/zinc/46/28/27/401462827.db2.gz VTTDPQNOPCASQR-UHFFFAOYSA-N 2 1 317.742 3.425 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000631587914 401507135 /nfs/dbraw/zinc/50/71/35/401507135.db2.gz OWUIRLPDGKJGDB-IYHXRUFHSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000631587914 401507137 /nfs/dbraw/zinc/50/71/37/401507137.db2.gz OWUIRLPDGKJGDB-IYHXRUFHSA-N 2 1 300.446 3.287 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631636603 401520722 /nfs/dbraw/zinc/52/07/22/401520722.db2.gz FPPPAGQBAMTKQY-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631636597 401520904 /nfs/dbraw/zinc/52/09/04/401520904.db2.gz FPPPAGQBAMTKQY-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623468733 401524394 /nfs/dbraw/zinc/52/43/94/401524394.db2.gz DIRDOFNFAXMQQX-HNNXBMFYSA-N 2 1 300.450 3.021 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661724 401528004 /nfs/dbraw/zinc/52/80/04/401528004.db2.gz BWIWHHKSYGUCKD-SOLBZPMBSA-N 2 1 304.478 3.158 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631668411 401531059 /nfs/dbraw/zinc/53/10/59/401531059.db2.gz XOXRBQALWUPFFF-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631668411 401531062 /nfs/dbraw/zinc/53/10/62/401531062.db2.gz XOXRBQALWUPFFF-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(C)sc1C ZINC000623871393 401591368 /nfs/dbraw/zinc/59/13/68/401591368.db2.gz COHXNHMESABDLD-WBVHZDCISA-N 2 1 310.507 3.252 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000268881333 292195402 /nfs/dbraw/zinc/19/54/02/292195402.db2.gz HVXDMSRCVBZCAY-MSOLQXFVSA-N 2 1 304.478 3.191 20 0 DGADMP C[N@H+]1CC[C@@H](N[C@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575450 401549597 /nfs/dbraw/zinc/54/95/97/401549597.db2.gz AZSHFUHTQIAPNH-SJORKVTESA-N 2 1 324.472 3.322 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757367 401550940 /nfs/dbraw/zinc/55/09/40/401550940.db2.gz XEKIKUOCQHUEBZ-DMRZNYOFSA-N 2 1 312.379 3.437 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631757367 401550942 /nfs/dbraw/zinc/55/09/42/401550942.db2.gz XEKIKUOCQHUEBZ-DMRZNYOFSA-N 2 1 312.379 3.437 20 0 DGADMP Cc1ccc([C@H](C)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000628213760 401551907 /nfs/dbraw/zinc/55/19/07/401551907.db2.gz WZDUDTVAXWADFL-GOSISDBHSA-N 2 1 316.489 3.333 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000628236511 401557113 /nfs/dbraw/zinc/55/71/13/401557113.db2.gz FPDQEINUOLUNTI-UHFFFAOYSA-N 2 1 306.498 3.361 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121204 401628340 /nfs/dbraw/zinc/62/83/40/401628340.db2.gz QAYZTDOGEIMXMR-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624121204 401628342 /nfs/dbraw/zinc/62/83/42/401628342.db2.gz QAYZTDOGEIMXMR-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121204 401628345 /nfs/dbraw/zinc/62/83/45/401628345.db2.gz QAYZTDOGEIMXMR-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122531 401629066 /nfs/dbraw/zinc/62/90/66/401629066.db2.gz UCWKQLGHSHLGJY-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122531 401629068 /nfs/dbraw/zinc/62/90/68/401629068.db2.gz UCWKQLGHSHLGJY-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122531 401629070 /nfs/dbraw/zinc/62/90/70/401629070.db2.gz UCWKQLGHSHLGJY-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624123419 401629843 /nfs/dbraw/zinc/62/98/43/401629843.db2.gz LRFLNQQUEZFBPS-RHSMWYFYSA-N 2 1 318.461 3.013 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123399 401629871 /nfs/dbraw/zinc/62/98/71/401629871.db2.gz LCZWQSZTGMDNMB-XJKSGUPXSA-N 2 1 306.425 3.143 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624299363 401648029 /nfs/dbraw/zinc/64/80/29/401648029.db2.gz JOOWMXVCDZSKNX-WKWVNEEDSA-N 2 1 314.473 3.054 20 0 DGADMP c1ccc2cc(OCC[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2c1 ZINC000358521649 286083238 /nfs/dbraw/zinc/08/32/38/286083238.db2.gz YBONPIAMQCVYMF-UHFFFAOYSA-N 2 1 310.441 3.294 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C[NH2+]1 ZINC000629397094 401683718 /nfs/dbraw/zinc/68/37/18/401683718.db2.gz SKGYYXVSHMAAPL-RLCCDNCMSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711389 286130110 /nfs/dbraw/zinc/13/01/10/286130110.db2.gz GUNDWLFMZJWMOV-FXAWDEMLSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000358711389 286130111 /nfs/dbraw/zinc/13/01/11/286130111.db2.gz GUNDWLFMZJWMOV-FXAWDEMLSA-N 2 1 316.489 3.446 20 0 DGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000358932451 286191152 /nfs/dbraw/zinc/19/11/52/286191152.db2.gz JHDDXNPARZBGLB-KRWDZBQOSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000358932451 286191154 /nfs/dbraw/zinc/19/11/54/286191154.db2.gz JHDDXNPARZBGLB-KRWDZBQOSA-N 2 1 304.482 3.042 20 0 DGADMP c1csc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000359200675 286260156 /nfs/dbraw/zinc/26/01/56/286260156.db2.gz GNJSIQIIGHNQBS-MRXNPFEDSA-N 2 1 308.491 3.119 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000359230483 286265557 /nfs/dbraw/zinc/26/55/57/286265557.db2.gz ZMEUXXIBOFCEAM-QFBILLFUSA-N 2 1 302.462 3.147 20 0 DGADMP Cc1nc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)sc1C ZINC000359228733 286265296 /nfs/dbraw/zinc/26/52/96/286265296.db2.gz XLQCJYLPQBQFJV-MRXNPFEDSA-N 2 1 307.507 3.329 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000359638597 286351769 /nfs/dbraw/zinc/35/17/69/286351769.db2.gz SALYYCNGNSACCW-HNNXBMFYSA-N 2 1 308.466 3.393 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000359638597 286351770 /nfs/dbraw/zinc/35/17/70/286351770.db2.gz SALYYCNGNSACCW-HNNXBMFYSA-N 2 1 308.466 3.393 20 0 DGADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000423342756 286378749 /nfs/dbraw/zinc/37/87/49/286378749.db2.gz VPFCDCLRPQXDDD-RTBURBONSA-N 2 1 314.473 3.453 20 0 DGADMP COC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCCC1 ZINC000359960505 286397367 /nfs/dbraw/zinc/39/73/67/286397367.db2.gz YBNNKZPNWKJNLI-UHFFFAOYSA-N 2 1 317.408 3.369 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000360245112 286449407 /nfs/dbraw/zinc/44/94/07/286449407.db2.gz KPXGLHSPRFMCPP-UONOGXRCSA-N 2 1 322.415 3.056 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362918838 286876176 /nfs/dbraw/zinc/87/61/76/286876176.db2.gz QDLYGXZNLGJGSQ-UHFFFAOYSA-N 2 1 314.473 3.331 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000423263157 287054192 /nfs/dbraw/zinc/05/41/92/287054192.db2.gz NYFLDMYTCMJTIK-CJNGLKHVSA-N 2 1 304.434 3.016 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000364827962 287065248 /nfs/dbraw/zinc/06/52/48/287065248.db2.gz CGGJSJHMYHXNRG-KZNAEPCWSA-N 2 1 318.509 3.300 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000185491405 165006007 /nfs/dbraw/zinc/00/60/07/165006007.db2.gz MOCCIPONRVHMHP-LPHOPBHVSA-N 2 1 317.477 3.013 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000188815143 165137503 /nfs/dbraw/zinc/13/75/03/165137503.db2.gz NOCLSYPEAAMXBM-UHZRXMQZSA-N 2 1 314.473 3.054 20 0 DGADMP CCc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000192590728 165298784 /nfs/dbraw/zinc/29/87/84/165298784.db2.gz HAOBHPRENRGYPZ-RAFMOHDBSA-N 2 1 315.505 3.067 20 0 DGADMP CCc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000192590728 165298788 /nfs/dbraw/zinc/29/87/88/165298788.db2.gz HAOBHPRENRGYPZ-RAFMOHDBSA-N 2 1 315.505 3.067 20 0 DGADMP CCc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000192590728 165298790 /nfs/dbraw/zinc/29/87/90/165298790.db2.gz HAOBHPRENRGYPZ-RAFMOHDBSA-N 2 1 315.505 3.067 20 0 DGADMP CCCOCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192694248 165302860 /nfs/dbraw/zinc/30/28/60/165302860.db2.gz JJACTUIINGOQIL-YQQQUEKLSA-N 2 1 302.462 3.328 20 0 DGADMP COc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000192961575 165313269 /nfs/dbraw/zinc/31/32/69/165313269.db2.gz IDWAGJMXYWHVFY-RHSMWYFYSA-N 2 1 318.436 3.283 20 0 DGADMP CC[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000193269700 165322433 /nfs/dbraw/zinc/32/24/33/165322433.db2.gz VOIQGQXDINHMKJ-SFHVURJKSA-N 2 1 302.462 3.018 20 0 DGADMP CO[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193347982 165324252 /nfs/dbraw/zinc/32/42/52/165324252.db2.gz XXZJDIBSALBHLO-NWJVMNJYSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527738 287138987 /nfs/dbraw/zinc/13/89/87/287138987.db2.gz LGPPERULEVNBRP-NWDGAFQWSA-N 2 1 302.340 3.317 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000262071176 165783591 /nfs/dbraw/zinc/78/35/91/165783591.db2.gz SAWJIBRADQPLCK-SFHVURJKSA-N 2 1 313.470 3.304 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000262071176 165783592 /nfs/dbraw/zinc/78/35/92/165783592.db2.gz SAWJIBRADQPLCK-SFHVURJKSA-N 2 1 313.470 3.304 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000365850183 287180546 /nfs/dbraw/zinc/18/05/46/287180546.db2.gz VNKCKLVNWKIUCK-GUDVDZBRSA-N 2 1 319.493 3.377 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000365850183 287180549 /nfs/dbraw/zinc/18/05/49/287180549.db2.gz VNKCKLVNWKIUCK-GUDVDZBRSA-N 2 1 319.493 3.377 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000042427392 1194174295 /nfs/dbraw/zinc/17/42/95/1194174295.db2.gz UXKHVEZHSYGSHW-YPMHNXCESA-N 2 1 302.340 3.144 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000136312538 432151814 /nfs/dbraw/zinc/15/18/14/432151814.db2.gz ONMGUBXWKQBKLT-UHFFFAOYSA-N 2 1 305.397 3.122 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000136312538 432151817 /nfs/dbraw/zinc/15/18/17/432151817.db2.gz ONMGUBXWKQBKLT-UHFFFAOYSA-N 2 1 305.397 3.122 20 0 DGADMP Fc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246827323 432169508 /nfs/dbraw/zinc/16/95/08/432169508.db2.gz NYLRNHPSKWGEAF-YJBOKZPZSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246827323 432169513 /nfs/dbraw/zinc/16/95/13/432169513.db2.gz NYLRNHPSKWGEAF-YJBOKZPZSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246827323 432169516 /nfs/dbraw/zinc/16/95/16/432169516.db2.gz NYLRNHPSKWGEAF-YJBOKZPZSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246827323 432169518 /nfs/dbraw/zinc/16/95/18/432169518.db2.gz NYLRNHPSKWGEAF-YJBOKZPZSA-N 2 1 318.436 3.153 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170640 /nfs/dbraw/zinc/17/06/40/432170640.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170644 /nfs/dbraw/zinc/17/06/44/432170644.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170648 /nfs/dbraw/zinc/17/06/48/432170648.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 3 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170652 /nfs/dbraw/zinc/17/06/52/432170652.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170654 /nfs/dbraw/zinc/17/06/54/432170654.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170659 /nfs/dbraw/zinc/17/06/59/432170659.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170662 /nfs/dbraw/zinc/17/06/62/432170662.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170665 /nfs/dbraw/zinc/17/06/65/432170665.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836707 432170668 /nfs/dbraw/zinc/17/06/68/432170668.db2.gz ARHIJUGODGPOQD-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246837995 432170837 /nfs/dbraw/zinc/17/08/37/432170837.db2.gz BLAUIOATQFWDMV-VNHYZAJKSA-N 2 1 312.404 3.415 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246837995 432170839 /nfs/dbraw/zinc/17/08/39/432170839.db2.gz BLAUIOATQFWDMV-VNHYZAJKSA-N 2 1 312.404 3.415 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246874535 432176583 /nfs/dbraw/zinc/17/65/83/432176583.db2.gz DQQLALLLXGSZEE-HOCLYGCPSA-N 2 1 310.869 3.490 20 0 DGADMP Fc1ccccc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000137621396 432178939 /nfs/dbraw/zinc/17/89/39/432178939.db2.gz WFZUJBQXYMOKTO-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000137621396 432178941 /nfs/dbraw/zinc/17/89/41/432178941.db2.gz WFZUJBQXYMOKTO-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000137621396 432178945 /nfs/dbraw/zinc/17/89/45/432178945.db2.gz WFZUJBQXYMOKTO-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000246858565 432173594 /nfs/dbraw/zinc/17/35/94/432173594.db2.gz CKMVWEXEFRIQQR-SOUVJXGZSA-N 2 1 306.450 3.227 20 0 DGADMP Fc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246856080 432173727 /nfs/dbraw/zinc/17/37/27/432173727.db2.gz PHODZVZXZMNMCH-KBXCAEBGSA-N 2 1 306.400 3.414 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1nccn1C ZINC000182276566 432174062 /nfs/dbraw/zinc/17/40/62/432174062.db2.gz FSPNWYSYXFZROU-SFHVURJKSA-N 2 1 312.461 3.257 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000246872967 432175536 /nfs/dbraw/zinc/17/55/36/432175536.db2.gz CQPSJOSSKLHEAM-CVEARBPZSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000246872967 432175541 /nfs/dbraw/zinc/17/55/41/432175541.db2.gz CQPSJOSSKLHEAM-CVEARBPZSA-N 2 1 320.477 3.475 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246881889 432176218 /nfs/dbraw/zinc/17/62/18/432176218.db2.gz DYJKSFZDFJSNSY-PVAVHDDUSA-N 2 1 318.461 3.229 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000246955376 432184321 /nfs/dbraw/zinc/18/43/21/432184321.db2.gz IHTRJAXZPOVUKR-UYAOXDASSA-N 2 1 318.505 3.488 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000247023551 432192402 /nfs/dbraw/zinc/19/24/02/432192402.db2.gz KYMUSESDJZQHPU-WDEREUQCSA-N 2 1 321.412 3.024 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000246991736 432189228 /nfs/dbraw/zinc/18/92/28/432189228.db2.gz JJMDXEQBSWLVFM-MAUKXSAKSA-N 2 1 312.461 3.061 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000247007313 432189634 /nfs/dbraw/zinc/18/96/34/432189634.db2.gz KZXYAIOVSUOPGT-QAPCUYQASA-N 2 1 317.477 3.245 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000247007313 432189639 /nfs/dbraw/zinc/18/96/39/432189639.db2.gz KZXYAIOVSUOPGT-QAPCUYQASA-N 2 1 317.477 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000172013645 432191413 /nfs/dbraw/zinc/19/14/13/432191413.db2.gz VTGRYXOYWVWGCS-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP CSCC[NH+](C)Cc1cccc(C[N@H+](C)CCSC)c1 ZINC000138236907 432183099 /nfs/dbraw/zinc/18/30/99/432183099.db2.gz TXVNUWUQCCHDRJ-UHFFFAOYSA-N 2 1 312.548 3.276 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N(C)C)cc1 ZINC000182492163 432195372 /nfs/dbraw/zinc/19/53/72/432195372.db2.gz VHSZFNQLRNWSGX-JXFKEZNVSA-N 2 1 324.472 3.470 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190853192 432195494 /nfs/dbraw/zinc/19/54/94/432195494.db2.gz VVLGGRNDJRHLRJ-GOSISDBHSA-N 2 1 302.462 3.297 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1)[NH+]1CCCC1 ZINC000190973528 432206824 /nfs/dbraw/zinc/20/68/24/432206824.db2.gz IVXHVEDQBOOEAK-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1)[NH+]1CCCC1 ZINC000190973514 432207041 /nfs/dbraw/zinc/20/70/41/432207041.db2.gz IVXHVEDQBOOEAK-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000247183573 432209779 /nfs/dbraw/zinc/20/97/79/432209779.db2.gz VJKAWBNHAGRGBT-KXBFYZLASA-N 2 1 302.462 3.394 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nccs2)CC1 ZINC000269731647 432204542 /nfs/dbraw/zinc/20/45/42/432204542.db2.gz YDSBOQILRJPRKH-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nccs2)CC1 ZINC000269731647 432204545 /nfs/dbraw/zinc/20/45/45/432204545.db2.gz YDSBOQILRJPRKH-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP OCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000182744349 432224440 /nfs/dbraw/zinc/22/44/40/432224440.db2.gz UPHTVRNZCMJRCH-FQEVSTJZSA-N 2 1 316.489 3.267 20 0 DGADMP OCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000182744349 432224443 /nfs/dbraw/zinc/22/44/43/432224443.db2.gz UPHTVRNZCMJRCH-FQEVSTJZSA-N 2 1 316.489 3.267 20 0 DGADMP COc1cc(C)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000132252188 196239257 /nfs/dbraw/zinc/23/92/57/196239257.db2.gz XFMGKAQEYCKEPI-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000132252188 196239259 /nfs/dbraw/zinc/23/92/59/196239259.db2.gz XFMGKAQEYCKEPI-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP COc1cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000132252188 196239261 /nfs/dbraw/zinc/23/92/61/196239261.db2.gz XFMGKAQEYCKEPI-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP COc1cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000132252188 196239263 /nfs/dbraw/zinc/23/92/63/196239263.db2.gz XFMGKAQEYCKEPI-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000132439623 196255818 /nfs/dbraw/zinc/25/58/18/196255818.db2.gz DQHIETQYUWLWBO-GOSISDBHSA-N 2 1 304.503 3.179 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000132998230 196303362 /nfs/dbraw/zinc/30/33/62/196303362.db2.gz XHTALXINGWKZIJ-ZIAGYGMSSA-N 2 1 324.415 3.116 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000134019180 196354369 /nfs/dbraw/zinc/35/43/69/196354369.db2.gz QCVYGXCVJUHNEQ-VOBGVNJCSA-N 2 1 324.472 3.057 20 0 DGADMP COc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc(OC)c1O ZINC000290293612 221551887 /nfs/dbraw/zinc/55/18/87/221551887.db2.gz HESZAQVWVZZVMG-UHFFFAOYSA-N 2 1 324.465 3.008 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000177500723 228331293 /nfs/dbraw/zinc/33/12/93/228331293.db2.gz HQLDNYBOVFZKKE-SCTDSRPQSA-N 2 1 306.494 3.306 20 0 DGADMP Fc1ccc2[nH]cc(CCC[NH2+]C3CC[NH+](C4CC4)CC3)c2c1 ZINC000298204408 228414036 /nfs/dbraw/zinc/41/40/36/228414036.db2.gz YGYDWQDWISADDA-UHFFFAOYSA-N 2 1 315.436 3.456 20 0 DGADMP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000299304484 229040096 /nfs/dbraw/zinc/04/00/96/229040096.db2.gz BQWOLYKFXBIWLF-UHFFFAOYSA-N 2 1 310.388 3.395 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000186165121 263650041 /nfs/dbraw/zinc/65/00/41/263650041.db2.gz DALPVVVRDXNKOO-GOSISDBHSA-N 2 1 316.489 3.381 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346362146 264017850 /nfs/dbraw/zinc/01/78/50/264017850.db2.gz LFMGHFASJUKLFK-MSOLQXFVSA-N 2 1 314.473 3.333 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000346427104 264030418 /nfs/dbraw/zinc/03/04/18/264030418.db2.gz DSFTUYZXOXRVDN-ACAXCVFMSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000346427104 264030421 /nfs/dbraw/zinc/03/04/21/264030421.db2.gz DSFTUYZXOXRVDN-ACAXCVFMSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000346622474 264067372 /nfs/dbraw/zinc/06/73/72/264067372.db2.gz LYWIJSWLVGYLBC-IBGZPJMESA-N 2 1 311.404 3.162 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000346622474 264067374 /nfs/dbraw/zinc/06/73/74/264067374.db2.gz LYWIJSWLVGYLBC-IBGZPJMESA-N 2 1 311.404 3.162 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000346641328 264071538 /nfs/dbraw/zinc/07/15/38/264071538.db2.gz BNYIJTHQAXDFRN-HIFRSBDPSA-N 2 1 301.459 3.288 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346663735 264075272 /nfs/dbraw/zinc/07/52/72/264075272.db2.gz CECNXXPYGCQODS-HZPDHXFCSA-N 2 1 312.461 3.165 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346662164 264075915 /nfs/dbraw/zinc/07/59/15/264075915.db2.gz WGUOPLGVWLMEFA-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000346663737 264075920 /nfs/dbraw/zinc/07/59/20/264075920.db2.gz XAHWHSHITMFQQG-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000346693346 264081363 /nfs/dbraw/zinc/08/13/63/264081363.db2.gz MKVZCJVCQLWSCN-CYBMUJFWSA-N 2 1 304.356 3.232 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000346693346 264081366 /nfs/dbraw/zinc/08/13/66/264081366.db2.gz MKVZCJVCQLWSCN-CYBMUJFWSA-N 2 1 304.356 3.232 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000346693299 264081574 /nfs/dbraw/zinc/08/15/74/264081574.db2.gz MDHWUMMTMJXNQI-MRXNPFEDSA-N 2 1 304.413 3.021 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1Oc1cccnc1 ZINC000346694024 264081713 /nfs/dbraw/zinc/08/17/13/264081713.db2.gz RIRKLVLRZKMXHD-RDJZCZTQSA-N 2 1 311.429 3.351 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346839572 264106699 /nfs/dbraw/zinc/10/66/99/264106699.db2.gz YKYSMOOMKOQSJO-YESZJQIVSA-N 2 1 318.461 3.043 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000346844181 264107062 /nfs/dbraw/zinc/10/70/62/264107062.db2.gz LDEPOPBMYFPZKR-HIFRSBDPSA-N 2 1 301.459 3.433 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000346844181 264107064 /nfs/dbraw/zinc/10/70/64/264107064.db2.gz LDEPOPBMYFPZKR-HIFRSBDPSA-N 2 1 301.459 3.433 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CCC2)cc1 ZINC000346889136 264116346 /nfs/dbraw/zinc/11/63/46/264116346.db2.gz UEALLXMUSMAEFT-MAUKXSAKSA-N 2 1 302.462 3.047 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000346995568 264136147 /nfs/dbraw/zinc/13/61/47/264136147.db2.gz BLSLVPDHHDVFQC-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347006811 264139211 /nfs/dbraw/zinc/13/92/11/264139211.db2.gz CRGLGFULPSCMAK-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347006811 264139212 /nfs/dbraw/zinc/13/92/12/264139212.db2.gz CRGLGFULPSCMAK-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037742 264145380 /nfs/dbraw/zinc/14/53/80/264145380.db2.gz FXNZJPLPTOSGHN-RYUDHWBXSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037742 264145381 /nfs/dbraw/zinc/14/53/81/264145381.db2.gz FXNZJPLPTOSGHN-RYUDHWBXSA-N 2 1 307.488 3.431 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347055842 264149298 /nfs/dbraw/zinc/14/92/98/264149298.db2.gz UIIWEQYNIXLTHB-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347055842 264149299 /nfs/dbraw/zinc/14/92/99/264149299.db2.gz UIIWEQYNIXLTHB-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000347064867 264150667 /nfs/dbraw/zinc/15/06/67/264150667.db2.gz XTWYFUSLVFQTGU-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000347064867 264150669 /nfs/dbraw/zinc/15/06/69/264150669.db2.gz XTWYFUSLVFQTGU-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000347064867 264150671 /nfs/dbraw/zinc/15/06/71/264150671.db2.gz XTWYFUSLVFQTGU-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCCC(C)C ZINC000347186434 264172399 /nfs/dbraw/zinc/17/23/99/264172399.db2.gz BVHWCBDWSBOJEQ-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCCC(C)C ZINC000347186434 264172402 /nfs/dbraw/zinc/17/24/02/264172402.db2.gz BVHWCBDWSBOJEQ-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CN1CC[C@@H](C[N@@H+](C)C[C@@H]2Cc3ccccc32)[C@H]1c1cccnc1 ZINC000347259240 264184518 /nfs/dbraw/zinc/18/45/18/264184518.db2.gz YJDASOZNIARNEJ-IRFCIJBXSA-N 2 1 321.468 3.346 20 0 DGADMP C[C@@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347309137 264194309 /nfs/dbraw/zinc/19/43/09/264194309.db2.gz VHFXZNWBCQHFJD-OHSMVPPVSA-N 2 1 324.472 3.057 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347309142 264194471 /nfs/dbraw/zinc/19/44/71/264194471.db2.gz VHFXZNWBCQHFJD-VOBGVNJCSA-N 2 1 324.472 3.057 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347472906 264227040 /nfs/dbraw/zinc/22/70/40/264227040.db2.gz KWOJCQYHJKRCHM-ROUUACIJSA-N 2 1 313.445 3.369 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347472906 264227041 /nfs/dbraw/zinc/22/70/41/264227041.db2.gz KWOJCQYHJKRCHM-ROUUACIJSA-N 2 1 313.445 3.369 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000347559549 264242003 /nfs/dbraw/zinc/24/20/03/264242003.db2.gz DSEQITYDCUODMY-MOPGFXCFSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000347901618 264302494 /nfs/dbraw/zinc/30/24/94/264302494.db2.gz LILCVNPRVIRQMF-LPHOPBHVSA-N 2 1 303.494 3.423 20 0 DGADMP CC[N@@H+](CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047556 264328910 /nfs/dbraw/zinc/32/89/10/264328910.db2.gz SWBSRQBFYUWVAZ-UYAOXDASSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047556 264328911 /nfs/dbraw/zinc/32/89/11/264328911.db2.gz SWBSRQBFYUWVAZ-UYAOXDASSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047556 264328914 /nfs/dbraw/zinc/32/89/14/264328914.db2.gz SWBSRQBFYUWVAZ-UYAOXDASSA-N 3 1 317.521 3.217 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000348112731 264343748 /nfs/dbraw/zinc/34/37/48/264343748.db2.gz REYQYJLOINZTNV-NEWSRXKRSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000348112731 264343751 /nfs/dbraw/zinc/34/37/51/264343751.db2.gz REYQYJLOINZTNV-NEWSRXKRSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC[C@@H]1CCC[NH+]1C ZINC000348116028 264344735 /nfs/dbraw/zinc/34/47/35/264344735.db2.gz URQWYAPWPLUNIU-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000348116028 264344738 /nfs/dbraw/zinc/34/47/38/264344738.db2.gz URQWYAPWPLUNIU-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1CC[C@@H]1CCC[N@H+]1C ZINC000348116028 264344740 /nfs/dbraw/zinc/34/47/40/264344740.db2.gz URQWYAPWPLUNIU-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CCSCC[NH+]1C/C=C/C[N@@H+]1CCSCC[C@H]1C ZINC000348159895 264354654 /nfs/dbraw/zinc/35/46/54/264354654.db2.gz OFELARRVOBTRRX-OBMMGQTPSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CCSCC[NH+]1CCC[N@@H+]1CCSCC[C@H]1C ZINC000348168339 264355498 /nfs/dbraw/zinc/35/54/98/264355498.db2.gz QQPRMHQFSOHATP-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000348266225 264378632 /nfs/dbraw/zinc/37/86/32/264378632.db2.gz HGRUGXAXSIPEGQ-HNNXBMFYSA-N 2 1 315.486 3.460 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000348314100 264388227 /nfs/dbraw/zinc/38/82/27/264388227.db2.gz GUSHRENLPUPMBP-OYRHEFFESA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000348314100 264388228 /nfs/dbraw/zinc/38/82/28/264388228.db2.gz GUSHRENLPUPMBP-OYRHEFFESA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000348314100 264388230 /nfs/dbraw/zinc/38/82/30/264388230.db2.gz GUSHRENLPUPMBP-OYRHEFFESA-N 2 1 321.468 3.078 20 0 DGADMP Cc1ccc(C)c(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352488589 265066672 /nfs/dbraw/zinc/06/66/72/265066672.db2.gz RTSIDKWNBYNHAR-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP Cc1ccc(C)c(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352488589 265066677 /nfs/dbraw/zinc/06/66/77/265066677.db2.gz RTSIDKWNBYNHAR-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352527372 265081109 /nfs/dbraw/zinc/08/11/09/265081109.db2.gz ZLVASFRODWQXHT-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352527372 265081111 /nfs/dbraw/zinc/08/11/11/265081111.db2.gz ZLVASFRODWQXHT-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352541327 265082585 /nfs/dbraw/zinc/08/25/85/265082585.db2.gz WQZFARXREMQYLS-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352541327 265082587 /nfs/dbraw/zinc/08/25/87/265082587.db2.gz WQZFARXREMQYLS-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP Clc1cc2cccnc2c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541488 265082707 /nfs/dbraw/zinc/08/27/07/265082707.db2.gz YLDHYDAOWDMCJF-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1cc2cccnc2c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541488 265082711 /nfs/dbraw/zinc/08/27/11/265082711.db2.gz YLDHYDAOWDMCJF-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])s2)o1 ZINC000352545271 265083864 /nfs/dbraw/zinc/08/38/64/265083864.db2.gz HWXNQUSMGYCLEO-CYBMUJFWSA-N 2 1 305.447 3.415 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3CC[NH3+])s2)o1 ZINC000352545271 265083869 /nfs/dbraw/zinc/08/38/69/265083869.db2.gz HWXNQUSMGYCLEO-CYBMUJFWSA-N 2 1 305.447 3.415 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OCC(C)C ZINC000352545241 265084038 /nfs/dbraw/zinc/08/40/38/265084038.db2.gz HPXZNSKRNSHKKJ-QGZVFWFLSA-N 2 1 320.477 3.433 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352686439 265129543 /nfs/dbraw/zinc/12/95/43/265129543.db2.gz ZJHWTAPQGNIHSA-NSISKUIASA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352686439 265129547 /nfs/dbraw/zinc/12/95/47/265129547.db2.gz ZJHWTAPQGNIHSA-NSISKUIASA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)(C)OC1CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000352719215 265140539 /nfs/dbraw/zinc/14/05/39/265140539.db2.gz FROSSOUXIZDIGK-UHFFFAOYSA-N 2 1 316.489 3.371 20 0 DGADMP CC(C)(C)OC1CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000352719215 265140541 /nfs/dbraw/zinc/14/05/41/265140541.db2.gz FROSSOUXIZDIGK-UHFFFAOYSA-N 2 1 316.489 3.371 20 0 DGADMP CCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000352732263 265144864 /nfs/dbraw/zinc/14/48/64/265144864.db2.gz NWSCHOUBGLUPFZ-WBVHZDCISA-N 2 1 301.478 3.387 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccccc3)CCC2)s1 ZINC000352812707 265177583 /nfs/dbraw/zinc/17/75/83/265177583.db2.gz HEHDICWBLQBDDK-UHFFFAOYSA-N 2 1 315.486 3.416 20 0 DGADMP Cc1csc(CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)n1 ZINC000352815391 265179519 /nfs/dbraw/zinc/17/95/19/265179519.db2.gz LWGAVUAKTCIVMJ-UHFFFAOYSA-N 2 1 324.519 3.082 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000353332313 265392019 /nfs/dbraw/zinc/39/20/19/265392019.db2.gz PSXKSYPUEBZGAK-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355219802 266003889 /nfs/dbraw/zinc/00/38/89/266003889.db2.gz ZXKUSHDABCCJKE-YJBOKZPZSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355219802 266003891 /nfs/dbraw/zinc/00/38/91/266003891.db2.gz ZXKUSHDABCCJKE-YJBOKZPZSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355219802 266003896 /nfs/dbraw/zinc/00/38/96/266003896.db2.gz ZXKUSHDABCCJKE-YJBOKZPZSA-N 2 1 310.445 3.012 20 0 DGADMP COC[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752975 266173537 /nfs/dbraw/zinc/17/35/37/266173537.db2.gz XWYZKBIWJJXUJZ-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752975 266173539 /nfs/dbraw/zinc/17/35/39/266173539.db2.gz XWYZKBIWJJXUJZ-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355752975 266173541 /nfs/dbraw/zinc/17/35/41/266173541.db2.gz XWYZKBIWJJXUJZ-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355752975 266173544 /nfs/dbraw/zinc/17/35/44/266173544.db2.gz XWYZKBIWJJXUJZ-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1nccn1C ZINC000182833589 432233507 /nfs/dbraw/zinc/23/35/07/432233507.db2.gz GZOLCRFTRTUEHZ-KRWDZBQOSA-N 2 1 300.450 3.113 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1nccn1C ZINC000182833589 432233513 /nfs/dbraw/zinc/23/35/13/432233513.db2.gz GZOLCRFTRTUEHZ-KRWDZBQOSA-N 2 1 300.450 3.113 20 0 DGADMP COC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000183020457 432249710 /nfs/dbraw/zinc/24/97/10/432249710.db2.gz UUBHAEOSDXPVCO-KRWDZBQOSA-N 2 1 323.387 3.227 20 0 DGADMP Cc1ccc(C(=O)CCN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000359870156 271004469 /nfs/dbraw/zinc/00/44/69/271004469.db2.gz DVECLJACEYJZRH-GOSISDBHSA-N 2 1 302.462 3.374 20 0 DGADMP Cc1ccc(C(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000359870156 271004473 /nfs/dbraw/zinc/00/44/73/271004473.db2.gz DVECLJACEYJZRH-GOSISDBHSA-N 2 1 302.462 3.374 20 0 DGADMP Cc1ccc(C(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000359870156 271004475 /nfs/dbraw/zinc/00/44/75/271004475.db2.gz DVECLJACEYJZRH-GOSISDBHSA-N 2 1 302.462 3.374 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367697895 271066518 /nfs/dbraw/zinc/06/65/18/271066518.db2.gz DJTSXLRTWVBDLM-WMZOPIPTSA-N 2 1 318.509 3.171 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2occc2c1 ZINC000368021853 271115878 /nfs/dbraw/zinc/11/58/78/271115878.db2.gz MPVWMMDRRYVGFN-AOIWGVFYSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2occc2c1 ZINC000368021853 271115882 /nfs/dbraw/zinc/11/58/82/271115882.db2.gz MPVWMMDRRYVGFN-AOIWGVFYSA-N 2 1 314.429 3.116 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1c[nH]nc1-c1cccnc1 ZINC000368052567 271125681 /nfs/dbraw/zinc/12/56/81/271125681.db2.gz WXJGMKMGESQSAJ-UHFFFAOYSA-N 2 1 315.465 3.026 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1c[nH]nc1-c1cccnc1 ZINC000368052567 271125684 /nfs/dbraw/zinc/12/56/84/271125684.db2.gz WXJGMKMGESQSAJ-UHFFFAOYSA-N 2 1 315.465 3.026 20 0 DGADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368440187 271159845 /nfs/dbraw/zinc/15/98/45/271159845.db2.gz AWPFYHNRNGMALB-GOSISDBHSA-N 2 1 312.461 3.076 20 0 DGADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368440187 271159848 /nfs/dbraw/zinc/15/98/48/271159848.db2.gz AWPFYHNRNGMALB-GOSISDBHSA-N 2 1 312.461 3.076 20 0 DGADMP COC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000368530620 271164977 /nfs/dbraw/zinc/16/49/77/271164977.db2.gz OGCRTPRCVRPWNP-OALUTQOASA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000368530537 271165975 /nfs/dbraw/zinc/16/59/75/271165975.db2.gz NEIBJPLXOGDXIN-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000368530538 271166351 /nfs/dbraw/zinc/16/63/51/271166351.db2.gz NEIBJPLXOGDXIN-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000369541139 271290721 /nfs/dbraw/zinc/29/07/21/271290721.db2.gz SBHVGMOFRIUDBE-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000369541139 271290722 /nfs/dbraw/zinc/29/07/22/271290722.db2.gz SBHVGMOFRIUDBE-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541139 271290723 /nfs/dbraw/zinc/29/07/23/271290723.db2.gz SBHVGMOFRIUDBE-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541139 271290724 /nfs/dbraw/zinc/29/07/24/271290724.db2.gz SBHVGMOFRIUDBE-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000369723011 271312679 /nfs/dbraw/zinc/31/26/79/271312679.db2.gz VBJAEALYSFMYEK-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP Cc1c([C@H](C)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191334307 432251125 /nfs/dbraw/zinc/25/11/25/432251125.db2.gz XRKHKLSWXRZGLS-KCQAQPDRSA-N 2 1 304.482 3.222 20 0 DGADMP Cc1c([C@H](C)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191334307 432251129 /nfs/dbraw/zinc/25/11/29/432251129.db2.gz XRKHKLSWXRZGLS-KCQAQPDRSA-N 2 1 304.482 3.222 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000247892917 432251715 /nfs/dbraw/zinc/25/17/15/432251715.db2.gz FWKFZQDQBACHHY-SMOSDQRPSA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247892917 432251718 /nfs/dbraw/zinc/25/17/18/432251718.db2.gz FWKFZQDQBACHHY-SMOSDQRPSA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247892917 432251723 /nfs/dbraw/zinc/25/17/23/432251723.db2.gz FWKFZQDQBACHHY-SMOSDQRPSA-N 2 1 317.521 3.170 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247958357 432256148 /nfs/dbraw/zinc/25/61/48/432256148.db2.gz FXMXCFZGKUQRPR-LNLFQRSKSA-N 2 1 317.521 3.436 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]c2cccc(F)c2n1C ZINC000443410594 273636043 /nfs/dbraw/zinc/63/60/43/273636043.db2.gz RDNDDDDEHOEGTI-ZDUSSCGKSA-N 2 1 306.429 3.057 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000272316247 273649906 /nfs/dbraw/zinc/64/99/06/273649906.db2.gz SOUXOXFHWCHOHG-MRXNPFEDSA-N 2 1 311.473 3.408 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000270537350 432257112 /nfs/dbraw/zinc/25/71/12/432257112.db2.gz WUHNLEFCOJALIZ-SJORKVTESA-N 2 1 304.478 3.342 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422878570 274110259 /nfs/dbraw/zinc/11/02/59/274110259.db2.gz KHNBFSGAEXDLEW-LSDHHAIUSA-N 2 1 316.367 3.464 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000420317068 274117482 /nfs/dbraw/zinc/11/74/82/274117482.db2.gz MXVOZFHZUCRDMX-DZGCQCFKSA-N 2 1 316.470 3.418 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)C2 ZINC000426032949 274152358 /nfs/dbraw/zinc/15/23/58/274152358.db2.gz AWJVEJSKHUQUAN-FUHWJXTLSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423371433 274216814 /nfs/dbraw/zinc/21/68/14/274216814.db2.gz QLCOQFGXLFBITI-GWCFXTLKSA-N 2 1 305.422 3.263 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000122840928 274243897 /nfs/dbraw/zinc/24/38/97/274243897.db2.gz OFOMOGNNGKUTNI-OAHLLOKOSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423218024 274518420 /nfs/dbraw/zinc/51/84/20/274518420.db2.gz RARCWJBNXUZUFV-AVGNSLFASA-N 2 1 320.868 3.265 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423468682 274908569 /nfs/dbraw/zinc/90/85/69/274908569.db2.gz FNBUWKIMIYZOLR-MLGOLLRUSA-N 2 1 319.399 3.380 20 0 DGADMP CC(C)Oc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247978378 432260082 /nfs/dbraw/zinc/26/00/82/432260082.db2.gz IBMMNINKSGEENN-FUHWJXTLSA-N 2 1 302.462 3.390 20 0 DGADMP [NH3+][C@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000333750563 274962146 /nfs/dbraw/zinc/96/21/46/274962146.db2.gz YXWDRCUGTSGOEC-BBRMVZONSA-N 2 1 317.458 3.019 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474023113 276151328 /nfs/dbraw/zinc/15/13/28/276151328.db2.gz LTCAXYLGOOCLDN-GOSISDBHSA-N 2 1 302.462 3.492 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC000450465061 276225532 /nfs/dbraw/zinc/22/55/32/276225532.db2.gz CZMKZOCIVAEMDL-NEWSRXKRSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC000450465061 276225533 /nfs/dbraw/zinc/22/55/33/276225533.db2.gz CZMKZOCIVAEMDL-NEWSRXKRSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC000450465061 276225534 /nfs/dbraw/zinc/22/55/34/276225534.db2.gz CZMKZOCIVAEMDL-NEWSRXKRSA-N 2 1 304.478 3.049 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@H](C)C1 ZINC000271518958 276229869 /nfs/dbraw/zinc/22/98/69/276229869.db2.gz PHVRFXIYJWOXFQ-QRQLOZEOSA-N 2 1 318.505 3.109 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)[C@H](C)C1 ZINC000247245438 276315964 /nfs/dbraw/zinc/31/59/64/276315964.db2.gz ZEUCLKCISIBTNO-NJAFHUGGSA-N 2 1 320.477 3.384 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)[C@H](C)C1 ZINC000247245438 276315967 /nfs/dbraw/zinc/31/59/67/276315967.db2.gz ZEUCLKCISIBTNO-NJAFHUGGSA-N 2 1 320.477 3.384 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000271888497 277023644 /nfs/dbraw/zinc/02/36/44/277023644.db2.gz RIAPFABGEUWRCR-INIZCTEOSA-N 2 1 321.262 3.288 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc3ccc(F)cc3s2)CC1 ZINC000432918634 277038256 /nfs/dbraw/zinc/03/82/56/277038256.db2.gz OHCCKHBPSOXXCV-UHFFFAOYSA-N 2 1 319.449 3.496 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nc3ccc(F)cc3s2)CC1 ZINC000432918634 277038257 /nfs/dbraw/zinc/03/82/57/277038257.db2.gz OHCCKHBPSOXXCV-UHFFFAOYSA-N 2 1 319.449 3.496 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccnn2C2CCCC2)CC1 ZINC000449266280 277038339 /nfs/dbraw/zinc/03/83/39/277038339.db2.gz USIHZQSKHVNZGQ-UHFFFAOYSA-N 2 1 302.466 3.058 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccnn2C2CCCC2)CC1 ZINC000449266280 277038341 /nfs/dbraw/zinc/03/83/41/277038341.db2.gz USIHZQSKHVNZGQ-UHFFFAOYSA-N 2 1 302.466 3.058 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1(C)C ZINC000282392030 277106697 /nfs/dbraw/zinc/10/66/97/277106697.db2.gz REBWBDLBDOKGNM-SFHVURJKSA-N 2 1 315.505 3.025 20 0 DGADMP CCc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019065 430200614 /nfs/dbraw/zinc/20/06/14/430200614.db2.gz FFDBYDDLUFSIRI-ZFWWWQNUSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019065 430200616 /nfs/dbraw/zinc/20/06/16/430200616.db2.gz FFDBYDDLUFSIRI-ZFWWWQNUSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019065 430200620 /nfs/dbraw/zinc/20/06/20/430200620.db2.gz FFDBYDDLUFSIRI-ZFWWWQNUSA-N 2 1 302.466 3.412 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000449129304 277213808 /nfs/dbraw/zinc/21/38/08/277213808.db2.gz UZMKYOMBMOCDQO-NJAFHUGGSA-N 2 1 322.518 3.037 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000449129304 277213810 /nfs/dbraw/zinc/21/38/10/277213810.db2.gz UZMKYOMBMOCDQO-NJAFHUGGSA-N 2 1 322.518 3.037 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000271514269 277333709 /nfs/dbraw/zinc/33/37/09/277333709.db2.gz NPDNXJSQUUCHMN-LIRZEXBASA-N 2 1 306.425 3.118 20 0 DGADMP CC(C)[NH+](CCCNc1cc[nH+]c(N2CCCCC2)n1)C(C)C ZINC000544702343 430291651 /nfs/dbraw/zinc/29/16/51/430291651.db2.gz QIUXLSLBZSXQLC-UHFFFAOYSA-N 2 1 319.497 3.388 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000484725396 277897684 /nfs/dbraw/zinc/89/76/84/277897684.db2.gz CUIRWXRBEJNTMS-IYWMVGAKSA-N 2 1 316.489 3.173 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414763789 278010229 /nfs/dbraw/zinc/01/02/29/278010229.db2.gz XYYSUUDXQHQHOX-RGCFKVTRSA-N 2 1 320.452 3.366 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065354 279121135 /nfs/dbraw/zinc/12/11/35/279121135.db2.gz AFCHFXMOEAZVTO-RDGPPVDQSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065354 279121136 /nfs/dbraw/zinc/12/11/36/279121136.db2.gz AFCHFXMOEAZVTO-RDGPPVDQSA-N 3 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065354 279121138 /nfs/dbraw/zinc/12/11/38/279121138.db2.gz AFCHFXMOEAZVTO-RDGPPVDQSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002582 279254776 /nfs/dbraw/zinc/25/47/76/279254776.db2.gz JQDJGOJLAMJXBA-GGPKGHCWSA-N 3 1 317.521 3.394 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnc2ccsc2c1 ZINC000068691293 431138868 /nfs/dbraw/zinc/13/88/68/431138868.db2.gz OOOASTGUAFCCEC-OLZOCXBDSA-N 2 1 301.459 3.431 20 0 DGADMP C[C@H](CCc1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432349879 279273776 /nfs/dbraw/zinc/27/37/76/279273776.db2.gz YIKIBLSAKGRQNC-MOPGFXCFSA-N 2 1 318.505 3.346 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422842090 279366788 /nfs/dbraw/zinc/36/67/88/279366788.db2.gz XOKHKCXKPVDYHF-AEFFLSMTSA-N 3 1 307.526 3.294 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279029253 279486449 /nfs/dbraw/zinc/48/64/49/279486449.db2.gz VWYRMHJIPAGUNF-QWHCGFSZSA-N 2 1 321.371 3.398 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000070189756 431244529 /nfs/dbraw/zinc/24/45/29/431244529.db2.gz JBOLIBAJYJOWCM-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702196 288157675 /nfs/dbraw/zinc/15/76/75/288157675.db2.gz HZSRYQXEJUXPEW-XYJFISCASA-N 2 1 318.461 3.001 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861016 431354959 /nfs/dbraw/zinc/35/49/59/431354959.db2.gz XJRLKRSTCZDFRQ-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861016 431354963 /nfs/dbraw/zinc/35/49/63/431354963.db2.gz XJRLKRSTCZDFRQ-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861016 431354968 /nfs/dbraw/zinc/35/49/68/431354968.db2.gz XJRLKRSTCZDFRQ-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861016 431354973 /nfs/dbraw/zinc/35/49/73/431354973.db2.gz XJRLKRSTCZDFRQ-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[N@@H+](CCOC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110179 431527748 /nfs/dbraw/zinc/52/77/48/431527748.db2.gz XPEAOWSRURRCOV-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](CCOC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110179 431527754 /nfs/dbraw/zinc/52/77/54/431527754.db2.gz XPEAOWSRURRCOV-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](CCOC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110179 431527759 /nfs/dbraw/zinc/52/77/59/431527759.db2.gz XPEAOWSRURRCOV-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836398 431498881 /nfs/dbraw/zinc/49/88/81/431498881.db2.gz PXRPKCPWIZFUMI-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(F)c1 ZINC000116396496 431507530 /nfs/dbraw/zinc/50/75/30/431507530.db2.gz XEACPYYOMIJGGJ-CJNGLKHVSA-N 2 1 323.456 3.109 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]C1 ZINC000261712732 280154985 /nfs/dbraw/zinc/15/49/85/280154985.db2.gz DTPCXUMRVGTJQT-ACJLOTCBSA-N 2 1 317.408 3.146 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036999 280335027 /nfs/dbraw/zinc/33/50/27/280335027.db2.gz RYMYORVAPYQTSR-QOKNQOGYSA-N 2 1 318.461 3.227 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036999 280335029 /nfs/dbraw/zinc/33/50/29/280335029.db2.gz RYMYORVAPYQTSR-QOKNQOGYSA-N 2 1 318.461 3.227 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167336 431657791 /nfs/dbraw/zinc/65/77/91/431657791.db2.gz BXIFYCGRFCRPKL-MBNYWOFBSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167336 431657800 /nfs/dbraw/zinc/65/78/00/431657800.db2.gz BXIFYCGRFCRPKL-MBNYWOFBSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(CO)c1 ZINC000121094539 431743888 /nfs/dbraw/zinc/74/38/88/431743888.db2.gz QJONXEJGFYLFAU-KRWDZBQOSA-N 2 1 324.468 3.278 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(CO)c1 ZINC000121094539 431743897 /nfs/dbraw/zinc/74/38/97/431743897.db2.gz QJONXEJGFYLFAU-KRWDZBQOSA-N 2 1 324.468 3.278 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3cccnc32)C1 ZINC000081630259 431796433 /nfs/dbraw/zinc/79/64/33/431796433.db2.gz ANQBVLRUIAUAPZ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000081630259 431796440 /nfs/dbraw/zinc/79/64/40/431796440.db2.gz ANQBVLRUIAUAPZ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000081630259 431796448 /nfs/dbraw/zinc/79/64/48/431796448.db2.gz ANQBVLRUIAUAPZ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000121439679 431786089 /nfs/dbraw/zinc/78/60/89/431786089.db2.gz MAJIJCPWMBSHAC-STQMWFEESA-N 2 1 305.397 3.326 20 0 DGADMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000122857645 431847086 /nfs/dbraw/zinc/84/70/86/431847086.db2.gz UMDXNCQHLSQEDQ-AWEZNQCLSA-N 2 1 318.461 3.119 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000122959947 431849933 /nfs/dbraw/zinc/84/99/33/431849933.db2.gz VKTPSVAVODOZGI-UHFFFAOYSA-N 2 1 313.445 3.295 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018393 431853131 /nfs/dbraw/zinc/85/31/31/431853131.db2.gz ZMOWFUVLYQEDRW-SCVCMEIPSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018393 431853133 /nfs/dbraw/zinc/85/31/33/431853133.db2.gz ZMOWFUVLYQEDRW-SCVCMEIPSA-N 2 1 317.296 3.329 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000123496460 431866348 /nfs/dbraw/zinc/86/63/48/431866348.db2.gz JJMDXEQBSWLVFM-QAPCUYQASA-N 2 1 312.461 3.061 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000122397461 431830889 /nfs/dbraw/zinc/83/08/89/431830889.db2.gz FLAYHZXKRORECT-HNNXBMFYSA-N 2 1 302.418 3.379 20 0 DGADMP CC[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000092560938 431909899 /nfs/dbraw/zinc/90/98/99/431909899.db2.gz POPBZTDRQWZLOB-JCYILVPMSA-N 2 1 324.509 3.351 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000124240971 431887071 /nfs/dbraw/zinc/88/70/71/431887071.db2.gz WBHGMNOOFGWYOY-KZNAEPCWSA-N 2 1 314.473 3.332 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(OC)c2)[C@H](C)C1 ZINC000090718354 431895375 /nfs/dbraw/zinc/89/53/75/431895375.db2.gz MBLPVHADRACETM-QAPCUYQASA-N 2 1 304.478 3.293 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000090920574 431897575 /nfs/dbraw/zinc/89/75/75/431897575.db2.gz GZTLEZIUPPSNOR-HPFXQQBRSA-N 2 1 319.468 3.113 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000090919206 431897991 /nfs/dbraw/zinc/89/79/91/431897991.db2.gz ISKFHBHFKYTFQV-IGCXYCKISA-N 2 1 308.416 3.315 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000090919208 431898107 /nfs/dbraw/zinc/89/81/07/431898107.db2.gz ISKFHBHFKYTFQV-IIYDPXPESA-N 2 1 308.416 3.315 20 0 DGADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Br)cc1 ZINC000124680051 431900555 /nfs/dbraw/zinc/90/05/55/431900555.db2.gz YSYDUAACGXJGNE-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000124680051 431900556 /nfs/dbraw/zinc/90/05/56/431900556.db2.gz YSYDUAACGXJGNE-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000124680051 431900558 /nfs/dbraw/zinc/90/05/58/431900558.db2.gz YSYDUAACGXJGNE-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Br)cc1 ZINC000124680051 431900560 /nfs/dbraw/zinc/90/05/60/431900560.db2.gz YSYDUAACGXJGNE-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Br)cc1 ZINC000124680051 431900561 /nfs/dbraw/zinc/90/05/61/431900561.db2.gz YSYDUAACGXJGNE-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000091081838 431900679 /nfs/dbraw/zinc/90/06/79/431900679.db2.gz BYQITEKMGXIAMG-INIZCTEOSA-N 2 1 301.438 3.149 20 0 DGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000091081838 431900680 /nfs/dbraw/zinc/90/06/80/431900680.db2.gz BYQITEKMGXIAMG-INIZCTEOSA-N 2 1 301.438 3.149 20 0 DGADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(Br)cc1 ZINC000124679826 431900700 /nfs/dbraw/zinc/90/07/00/431900700.db2.gz YSYDUAACGXJGNE-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000124679826 431900703 /nfs/dbraw/zinc/90/07/03/431900703.db2.gz YSYDUAACGXJGNE-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000124679826 431900704 /nfs/dbraw/zinc/90/07/04/431900704.db2.gz YSYDUAACGXJGNE-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Br)cc1 ZINC000124679826 431900707 /nfs/dbraw/zinc/90/07/07/431900707.db2.gz YSYDUAACGXJGNE-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(Br)cc1 ZINC000124679826 431900709 /nfs/dbraw/zinc/90/07/09/431900709.db2.gz YSYDUAACGXJGNE-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000124827290 431905799 /nfs/dbraw/zinc/90/57/99/431905799.db2.gz ZGRJFLXOYRAAFE-UHFFFAOYSA-N 2 1 312.461 3.021 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000049525828 431941676 /nfs/dbraw/zinc/94/16/76/431941676.db2.gz LPWVPNOFZWYXIK-NSHDSACASA-N 2 1 308.223 3.305 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000126509878 431952533 /nfs/dbraw/zinc/95/25/33/431952533.db2.gz SYFFRNDGGDINAV-QGZVFWFLSA-N 2 1 314.473 3.497 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126908826 431960798 /nfs/dbraw/zinc/96/07/98/431960798.db2.gz PTWANBZHMALZPN-CVEARBPZSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126908826 431960800 /nfs/dbraw/zinc/96/08/00/431960800.db2.gz PTWANBZHMALZPN-CVEARBPZSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127870598 431983239 /nfs/dbraw/zinc/98/32/39/431983239.db2.gz CHIMSHVKNIHEFC-SNUQEOBHSA-N 2 1 303.425 3.168 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H](C)C2 ZINC000180516419 281091979 /nfs/dbraw/zinc/09/19/79/281091979.db2.gz VPRKHFLAHMWTQV-HQRMLTQVSA-N 2 1 316.489 3.055 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000128011766 431985766 /nfs/dbraw/zinc/98/57/66/431985766.db2.gz VMUVLQSWXPAHCF-INIZCTEOSA-N 2 1 322.468 3.408 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432412627 281272501 /nfs/dbraw/zinc/27/25/01/281272501.db2.gz CJGKKKSCORKQOM-QFBILLFUSA-N 2 1 302.462 3.073 20 0 DGADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000128231009 431990655 /nfs/dbraw/zinc/99/06/55/431990655.db2.gz OCZVPHSUNQIYQZ-IBGZPJMESA-N 2 1 303.494 3.145 20 0 DGADMP CC[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)OCCc2ccccc21 ZINC000289799401 281345572 /nfs/dbraw/zinc/34/55/72/281345572.db2.gz NRELYLREOYAMBG-CMKODMSKSA-N 2 1 314.473 3.081 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000191488321 432270353 /nfs/dbraw/zinc/27/03/53/432270353.db2.gz DDBGICRIRRQUOF-GOSISDBHSA-N 2 1 315.461 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000191488321 432270358 /nfs/dbraw/zinc/27/03/58/432270358.db2.gz DDBGICRIRRQUOF-GOSISDBHSA-N 2 1 315.461 3.200 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000191494418 432270384 /nfs/dbraw/zinc/27/03/84/432270384.db2.gz JDFYOFYXTRIOOR-DYVFJYSZSA-N 2 1 318.486 3.306 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155842 432272941 /nfs/dbraw/zinc/27/29/41/432272941.db2.gz RIRBUQWXQNCSLJ-GDBMZVCRSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155842 432272942 /nfs/dbraw/zinc/27/29/42/432272942.db2.gz RIRBUQWXQNCSLJ-GDBMZVCRSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155842 432272944 /nfs/dbraw/zinc/27/29/44/432272944.db2.gz RIRBUQWXQNCSLJ-GDBMZVCRSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3Cl)CC[C@H]21 ZINC000248155842 432272948 /nfs/dbraw/zinc/27/29/48/432272948.db2.gz RIRBUQWXQNCSLJ-GDBMZVCRSA-N 2 1 308.853 3.135 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Nc1ccccc1 ZINC000248176747 432274342 /nfs/dbraw/zinc/27/43/42/432274342.db2.gz VSFNKAZZWJVWJI-ISARSNTHSA-N 2 1 303.494 3.441 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183358799 432284574 /nfs/dbraw/zinc/28/45/74/432284574.db2.gz LRAHITQGINXENA-SFHVURJKSA-N 2 1 317.408 3.264 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183358799 432284578 /nfs/dbraw/zinc/28/45/78/432284578.db2.gz LRAHITQGINXENA-SFHVURJKSA-N 2 1 317.408 3.264 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248409661 432286697 /nfs/dbraw/zinc/28/66/97/432286697.db2.gz XCFYBGMXKJJJOK-FUMNGEBKSA-N 2 1 316.489 3.038 20 0 DGADMP C[NH+](C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000151966423 432292910 /nfs/dbraw/zinc/29/29/10/432292910.db2.gz PQSFJJZHOVIUFN-AWEZNQCLSA-N 2 1 302.340 3.114 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248440449 432293056 /nfs/dbraw/zinc/29/30/56/432293056.db2.gz JNZUDTFBADZSPB-FXAWDEMLSA-N 2 1 316.489 3.478 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000173745065 432298159 /nfs/dbraw/zinc/29/81/59/432298159.db2.gz JNBDWONIDUDVMC-ZDUSSCGKSA-N 2 1 316.367 3.011 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000173745065 432298162 /nfs/dbraw/zinc/29/81/62/432298162.db2.gz JNBDWONIDUDVMC-ZDUSSCGKSA-N 2 1 316.367 3.011 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000248047983 432263508 /nfs/dbraw/zinc/26/35/08/432263508.db2.gz VQHYIHOCPQFVSL-SCTDSRPQSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCC2CCCC2)CC1 ZINC000173207141 432265946 /nfs/dbraw/zinc/26/59/46/432265946.db2.gz ANVAVQQCGSVZMQ-KDURUIRLSA-N 2 1 321.553 3.447 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000248753959 432316594 /nfs/dbraw/zinc/31/65/94/432316594.db2.gz CJTUAULOQYHVLS-FQVATPOOSA-N 2 1 313.489 3.179 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCCOC2)C3)cc1 ZINC000248761663 432318799 /nfs/dbraw/zinc/31/87/99/432318799.db2.gz DQSCUJUFICWLRN-WTGUMLROSA-N 2 1 314.473 3.198 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248821808 432319505 /nfs/dbraw/zinc/31/95/05/432319505.db2.gz XHVWUIPWFWDOIS-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248823243 432320834 /nfs/dbraw/zinc/32/08/34/432320834.db2.gz GEKZHWBJYZOTOF-AZUAARDMSA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823243 432320837 /nfs/dbraw/zinc/32/08/37/432320837.db2.gz GEKZHWBJYZOTOF-AZUAARDMSA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823243 432320842 /nfs/dbraw/zinc/32/08/42/432320842.db2.gz GEKZHWBJYZOTOF-AZUAARDMSA-N 2 1 324.472 3.097 20 0 DGADMP CN(Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152350118 432324883 /nfs/dbraw/zinc/32/48/83/432324883.db2.gz IQMYFOJXRIKXEV-CQSZACIVSA-N 2 1 317.408 3.254 20 0 DGADMP CCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174214218 432330350 /nfs/dbraw/zinc/33/03/50/432330350.db2.gz ZGDQTMMXNXNOCP-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174214218 432330354 /nfs/dbraw/zinc/33/03/54/432330354.db2.gz ZGDQTMMXNXNOCP-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152460589 432333695 /nfs/dbraw/zinc/33/36/95/432333695.db2.gz MLEVZVPRLIDAQW-KDOFPFPSSA-N 2 1 302.487 3.091 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSCc3ccccc3)CC[C@H]21 ZINC000249519359 432349744 /nfs/dbraw/zinc/34/97/44/432349744.db2.gz UGLFIAQKOOUTMY-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSCc3ccccc3)CC[C@H]21 ZINC000249519359 432349746 /nfs/dbraw/zinc/34/97/46/432349746.db2.gz UGLFIAQKOOUTMY-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSCc3ccccc3)CC[C@H]21 ZINC000249519359 432349747 /nfs/dbraw/zinc/34/97/47/432349747.db2.gz UGLFIAQKOOUTMY-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)O[C@H]1CCCCO1 ZINC000248608214 432305603 /nfs/dbraw/zinc/30/56/03/432305603.db2.gz WWEKUYNCJMPCGL-MOPGFXCFSA-N 2 1 324.509 3.118 20 0 DGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)O[C@H]1CCCCO1 ZINC000248608214 432305604 /nfs/dbraw/zinc/30/56/04/432305604.db2.gz WWEKUYNCJMPCGL-MOPGFXCFSA-N 2 1 324.509 3.118 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC000173912282 432306354 /nfs/dbraw/zinc/30/63/54/432306354.db2.gz HNKOXMVGCRGSNI-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000173912282 432306357 /nfs/dbraw/zinc/30/63/57/432306357.db2.gz HNKOXMVGCRGSNI-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000173912282 432306360 /nfs/dbraw/zinc/30/63/60/432306360.db2.gz HNKOXMVGCRGSNI-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000191820523 432306523 /nfs/dbraw/zinc/30/65/23/432306523.db2.gz VGLXGFRHOXYRDP-OAHLLOKOSA-N 2 1 317.477 3.418 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248629538 432307588 /nfs/dbraw/zinc/30/75/88/432307588.db2.gz HGDBVBRMILUEMP-OIISXLGYSA-N 2 1 302.462 3.187 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000271330830 432375453 /nfs/dbraw/zinc/37/54/53/432375453.db2.gz AXPBBAMJFRBHKO-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000271330830 432375459 /nfs/dbraw/zinc/37/54/59/432375459.db2.gz AXPBBAMJFRBHKO-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000252537001 432382537 /nfs/dbraw/zinc/38/25/37/432382537.db2.gz KCSJBNNFCOLILW-OQIJWPOYSA-N 2 1 302.462 3.084 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000252633198 432384833 /nfs/dbraw/zinc/38/48/33/432384833.db2.gz CPBJQPLHYCSQDF-CABCVRRESA-N 2 1 323.278 3.474 20 0 DGADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184482634 432396702 /nfs/dbraw/zinc/39/67/02/432396702.db2.gz LIMKTBRLIWEIHI-KRWDZBQOSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184482634 432396704 /nfs/dbraw/zinc/39/67/04/432396704.db2.gz LIMKTBRLIWEIHI-KRWDZBQOSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184482634 432396707 /nfs/dbraw/zinc/39/67/07/432396707.db2.gz LIMKTBRLIWEIHI-KRWDZBQOSA-N 2 1 321.465 3.025 20 0 DGADMP C[C@@H](c1cnccn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000184504743 432398152 /nfs/dbraw/zinc/39/81/52/432398152.db2.gz XYGAYISUZNDGBP-KRWDZBQOSA-N 2 1 324.472 3.382 20 0 DGADMP Oc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000153378820 432405327 /nfs/dbraw/zinc/40/53/27/432405327.db2.gz KYCIYGFFCMNDTH-UHFFFAOYSA-N 2 1 306.425 3.418 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174628660 432359556 /nfs/dbraw/zinc/35/95/56/432359556.db2.gz ZEWXSKQOLDIBPD-MFKMUULPSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174628660 432359561 /nfs/dbraw/zinc/35/95/61/432359561.db2.gz ZEWXSKQOLDIBPD-MFKMUULPSA-N 2 1 317.296 3.331 20 0 DGADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559246 432429791 /nfs/dbraw/zinc/42/97/91/432429791.db2.gz SYPXBYLQGSABII-IOMROCGXSA-N 2 1 321.468 3.243 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261544570 432430711 /nfs/dbraw/zinc/43/07/11/432430711.db2.gz JAYZWSMSDJPSIL-QFBILLFUSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261544238 432431490 /nfs/dbraw/zinc/43/14/90/432431490.db2.gz IRQKFGOEZOJMDU-UIAACRFSSA-N 2 1 309.457 3.241 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000261812674 432453086 /nfs/dbraw/zinc/45/30/86/432453086.db2.gz GRJOCJIWBAIDKT-JQHSSLGASA-N 2 1 311.429 3.209 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000153901265 432453723 /nfs/dbraw/zinc/45/37/23/432453723.db2.gz NBAJZPMKKXPCHX-AWEZNQCLSA-N 2 1 316.367 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153607259 432423911 /nfs/dbraw/zinc/42/39/11/432423911.db2.gz DHGSPZRHNOTCJE-ZHALLVOQSA-N 2 1 316.489 3.053 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000262105303 432474110 /nfs/dbraw/zinc/47/41/10/432474110.db2.gz JFWFZPNCKVFOOQ-CEXWTWQISA-N 2 1 303.494 3.177 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Nc1ccccc1 ZINC000154136803 432475096 /nfs/dbraw/zinc/47/50/96/432475096.db2.gz VSFNKAZZWJVWJI-JFRXWTBNSA-N 2 1 303.494 3.441 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262137545 432477691 /nfs/dbraw/zinc/47/76/91/432477691.db2.gz MBUQBBJKIWUFLE-SHPPOPEUSA-N 2 1 310.388 3.408 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC000272327980 432482985 /nfs/dbraw/zinc/48/29/85/432482985.db2.gz XIVFQTYDPGJHIC-QFBILLFUSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC000272327980 432482987 /nfs/dbraw/zinc/48/29/87/432482987.db2.gz XIVFQTYDPGJHIC-QFBILLFUSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cccc2c(NC[C@H]3C[N@@H+](C4CC4)CCO3)c(C)c[nH+]c12 ZINC000185301312 432488013 /nfs/dbraw/zinc/48/80/13/432488013.db2.gz MGIUYQABQWMXAJ-INIZCTEOSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1cccc2c(NC[C@H]3C[N@H+](C4CC4)CCO3)c(C)c[nH+]c12 ZINC000185301312 432488017 /nfs/dbraw/zinc/48/80/17/432488017.db2.gz MGIUYQABQWMXAJ-INIZCTEOSA-N 2 1 311.429 3.127 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCCO2)C3)cc1 ZINC000272426987 432499836 /nfs/dbraw/zinc/49/98/36/432499836.db2.gz PJBVYPKAGPQYTL-HAGHYFMRSA-N 2 1 314.473 3.341 20 0 DGADMP CO[C@@H](C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272439896 432501834 /nfs/dbraw/zinc/50/18/34/432501834.db2.gz SUZCDSLPYTZSOF-KANFNMMFSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H](C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272439895 432502099 /nfs/dbraw/zinc/50/20/99/432502099.db2.gz SUZCDSLPYTZSOF-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)s1 ZINC000154543081 432505715 /nfs/dbraw/zinc/50/57/15/432505715.db2.gz HSMMVYGAPALMFL-INIZCTEOSA-N 2 1 323.550 3.379 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2cccc(OC)c2)C1 ZINC000176273659 432506755 /nfs/dbraw/zinc/50/67/55/432506755.db2.gz ACNPDNRBUBMQMB-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000176273659 432506759 /nfs/dbraw/zinc/50/67/59/432506759.db2.gz ACNPDNRBUBMQMB-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000176273659 432506765 /nfs/dbraw/zinc/50/67/65/432506765.db2.gz ACNPDNRBUBMQMB-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2cccc(OC)c2)C1 ZINC000176273646 432506831 /nfs/dbraw/zinc/50/68/31/432506831.db2.gz ACNPDNRBUBMQMB-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000176273646 432506834 /nfs/dbraw/zinc/50/68/34/432506834.db2.gz ACNPDNRBUBMQMB-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000176273646 432506836 /nfs/dbraw/zinc/50/68/36/432506836.db2.gz ACNPDNRBUBMQMB-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCSc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000185528649 432509180 /nfs/dbraw/zinc/50/91/80/432509180.db2.gz IOBWBSDBKDWNBO-QGZVFWFLSA-N 2 1 322.518 3.125 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261934574 432461794 /nfs/dbraw/zinc/46/17/94/432461794.db2.gz TXHHRYQZVZGNES-KVSKMBFKSA-N 2 1 310.441 3.408 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC000261926897 432462676 /nfs/dbraw/zinc/46/26/76/432462676.db2.gz SIQIXHMNZSBXDK-GDIGMMSISA-N 2 1 310.441 3.408 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[C@H](C)C1 ZINC000154022953 432463979 /nfs/dbraw/zinc/46/39/79/432463979.db2.gz FWWNZFSGDPZALI-NJAFHUGGSA-N 2 1 319.493 3.045 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261956263 432464570 /nfs/dbraw/zinc/46/45/70/432464570.db2.gz ORXHBKIIRPVVEN-WDSOQIARSA-N 2 1 322.456 3.019 20 0 DGADMP CCO[C@H](C)c1nc(C[NH+]2CCC(CC[NH2+]C)CC2)cs1 ZINC000261966758 432466021 /nfs/dbraw/zinc/46/60/21/432466021.db2.gz BQDDRNQDHFBRRY-CYBMUJFWSA-N 2 1 311.495 3.062 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1 ZINC000261965527 432466234 /nfs/dbraw/zinc/46/62/34/432466234.db2.gz PVRGOQWFGWYGJM-UHFFFAOYSA-N 2 1 314.433 3.306 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000261988024 432468052 /nfs/dbraw/zinc/46/80/52/432468052.db2.gz JWXWFYFDZPXZMP-HXUWFJFHSA-N 2 1 323.440 3.368 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000261988024 432468056 /nfs/dbraw/zinc/46/80/56/432468056.db2.gz JWXWFYFDZPXZMP-HXUWFJFHSA-N 2 1 323.440 3.368 20 0 DGADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262028093 432470223 /nfs/dbraw/zinc/47/02/23/432470223.db2.gz WWBMCFGTUGZNTF-CVEARBPZSA-N 2 1 322.880 3.430 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527928 432517514 /nfs/dbraw/zinc/51/75/14/432517514.db2.gz AONGSCCHYZVWMI-PXNSSMCTSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527930 432517771 /nfs/dbraw/zinc/51/77/71/432517771.db2.gz AONGSCCHYZVWMI-YLJYHZDGSA-N 2 1 324.468 3.435 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154845816 432525501 /nfs/dbraw/zinc/52/55/01/432525501.db2.gz OKVHOVHFGMEFPM-IBGZPJMESA-N 2 1 304.478 3.401 20 0 DGADMP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154844000 432525643 /nfs/dbraw/zinc/52/56/43/432525643.db2.gz AJOHCYBTGLAGLU-MRXNPFEDSA-N 2 1 304.478 3.401 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000154884381 432526341 /nfs/dbraw/zinc/52/63/41/432526341.db2.gz DCYORQXBBIVZQS-FQEVSTJZSA-N 2 1 318.505 3.263 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272594696 432530126 /nfs/dbraw/zinc/53/01/26/432530126.db2.gz XRLNTXMFCKZQAH-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000273043613 432541659 /nfs/dbraw/zinc/54/16/59/432541659.db2.gz IWQBUKBWIOKFSU-ROUUACIJSA-N 2 1 316.489 3.446 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273501765 432605653 /nfs/dbraw/zinc/60/56/53/432605653.db2.gz YWZLNKYDPVDGTL-QZTJIDSGSA-N 2 1 306.425 3.120 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000195133200 432607200 /nfs/dbraw/zinc/60/72/00/432607200.db2.gz JTQNKJKKZFYTGY-YLJYHZDGSA-N 2 1 324.468 3.352 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186412147 432592012 /nfs/dbraw/zinc/59/20/12/432592012.db2.gz PTMVYZYZIDEHDN-GLJUWKHASA-N 2 1 317.452 3.178 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186412165 432593482 /nfs/dbraw/zinc/59/34/82/432593482.db2.gz PTMVYZYZIDEHDN-HBUWYVDXSA-N 2 1 317.452 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000273398151 432593947 /nfs/dbraw/zinc/59/39/47/432593947.db2.gz FZSLVQKMPHNUPJ-OAOYMFHYSA-N 2 1 320.452 3.366 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000273481738 432603494 /nfs/dbraw/zinc/60/34/94/432603494.db2.gz IDIYTZYMZKDGCE-INIZCTEOSA-N 2 1 305.422 3.178 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)cc4cccnc43)CC[C@@H]21 ZINC000158496021 432647289 /nfs/dbraw/zinc/64/72/89/432647289.db2.gz FDCVYZYFIFMPFA-QAPCUYQASA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CC[C@@H]21 ZINC000158496021 432647290 /nfs/dbraw/zinc/64/72/90/432647290.db2.gz FDCVYZYFIFMPFA-QAPCUYQASA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CC[C@@H]21 ZINC000158496021 432647294 /nfs/dbraw/zinc/64/72/94/432647294.db2.gz FDCVYZYFIFMPFA-QAPCUYQASA-N 2 1 313.420 3.290 20 0 DGADMP Clc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000157355109 432618753 /nfs/dbraw/zinc/61/87/53/432618753.db2.gz NVKQVRKXHRZYKD-HNNXBMFYSA-N 2 1 308.853 3.137 20 0 DGADMP Clc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000157355109 432618756 /nfs/dbraw/zinc/61/87/56/432618756.db2.gz NVKQVRKXHRZYKD-HNNXBMFYSA-N 2 1 308.853 3.137 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000274326791 432652347 /nfs/dbraw/zinc/65/23/47/432652347.db2.gz DXESEJGTMSFOFY-LBPRGKRZSA-N 2 1 312.255 3.012 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000274326791 432652349 /nfs/dbraw/zinc/65/23/49/432652349.db2.gz DXESEJGTMSFOFY-LBPRGKRZSA-N 2 1 312.255 3.012 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158941923 432664908 /nfs/dbraw/zinc/66/49/08/432664908.db2.gz VBVLNVNDTNLRLT-QZTJIDSGSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158941923 432664911 /nfs/dbraw/zinc/66/49/11/432664911.db2.gz VBVLNVNDTNLRLT-QZTJIDSGSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158941923 432664915 /nfs/dbraw/zinc/66/49/15/432664915.db2.gz VBVLNVNDTNLRLT-QZTJIDSGSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000159039600 432667046 /nfs/dbraw/zinc/66/70/46/432667046.db2.gz KZCHDEJWRVFEPJ-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)o1 ZINC000159039600 432667051 /nfs/dbraw/zinc/66/70/51/432667051.db2.gz KZCHDEJWRVFEPJ-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000178148893 432700075 /nfs/dbraw/zinc/70/00/75/432700075.db2.gz XIGBHTXPEOYISX-JSGCOSHPSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1N(C)C ZINC000178256700 432712009 /nfs/dbraw/zinc/71/20/09/432712009.db2.gz ZMEYRQGJSQEWMH-AWEZNQCLSA-N 2 1 319.468 3.417 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000274849599 432716760 /nfs/dbraw/zinc/71/67/60/432716760.db2.gz QTPJSSBBOQGYSA-UTKZUKDTSA-N 2 1 324.468 3.179 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)cs3)C[C@H]21 ZINC000228473529 432718322 /nfs/dbraw/zinc/71/83/22/432718322.db2.gz RKCOWNYZJNJNDV-ZWKOPEQDSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@H]21 ZINC000228473529 432718325 /nfs/dbraw/zinc/71/83/25/432718325.db2.gz RKCOWNYZJNJNDV-ZWKOPEQDSA-N 2 1 315.280 3.070 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccoc1 ZINC000178307398 432718789 /nfs/dbraw/zinc/71/87/89/432718789.db2.gz SFBQBVWMISKFFM-OAHLLOKOSA-N 2 1 314.429 3.087 20 0 DGADMP CCC[N@H+](Cc1cc(Cl)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000228494393 432719266 /nfs/dbraw/zinc/71/92/66/432719266.db2.gz HOHBDXSPDJUDBS-UHFFFAOYSA-N 2 1 308.853 3.239 20 0 DGADMP CCC[N@@H+](Cc1cc(Cl)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000228494393 432719271 /nfs/dbraw/zinc/71/92/71/432719271.db2.gz HOHBDXSPDJUDBS-UHFFFAOYSA-N 2 1 308.853 3.239 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccoc3)CC2)nc(C)[nH+]1 ZINC000178322775 432720795 /nfs/dbraw/zinc/72/07/95/432720795.db2.gz QEDIKKVZPAKQRV-CYBMUJFWSA-N 2 1 300.406 3.006 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC000188372418 432721267 /nfs/dbraw/zinc/72/12/67/432721267.db2.gz IHURGQWLOSNKKL-GOSISDBHSA-N 2 1 317.477 3.341 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000188372438 432721487 /nfs/dbraw/zinc/72/14/87/432721487.db2.gz IHURGQWLOSNKKL-SFHVURJKSA-N 2 1 317.477 3.341 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006457 432723298 /nfs/dbraw/zinc/72/32/98/432723298.db2.gz LYLVCCAHMAYBEO-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006457 432723302 /nfs/dbraw/zinc/72/33/02/432723302.db2.gz LYLVCCAHMAYBEO-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006457 432723304 /nfs/dbraw/zinc/72/33/04/432723304.db2.gz LYLVCCAHMAYBEO-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006457 432723305 /nfs/dbraw/zinc/72/33/05/432723305.db2.gz LYLVCCAHMAYBEO-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@@H]21 ZINC000230125994 432724516 /nfs/dbraw/zinc/72/45/16/432724516.db2.gz GRHJGLQPVFLQOR-AEGPPILISA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@@H]21 ZINC000230125994 432724520 /nfs/dbraw/zinc/72/45/20/432724520.db2.gz GRHJGLQPVFLQOR-AEGPPILISA-N 2 1 309.251 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177910576 432672670 /nfs/dbraw/zinc/67/26/70/432672670.db2.gz VWEVIXUAGXZENL-CZUORRHYSA-N 2 1 323.868 3.131 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC000265213730 432676875 /nfs/dbraw/zinc/67/68/75/432676875.db2.gz VCCZRPVWOYDCDD-MAUKXSAKSA-N 2 1 308.441 3.052 20 0 DGADMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccsc1 ZINC000187700851 432678203 /nfs/dbraw/zinc/67/82/03/432678203.db2.gz KFYYQORGYPLWBA-GOSISDBHSA-N 2 1 323.550 3.453 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159312864 432678272 /nfs/dbraw/zinc/67/82/72/432678272.db2.gz FAYPPNOXWUWZKS-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159312864 432678278 /nfs/dbraw/zinc/67/82/78/432678278.db2.gz FAYPPNOXWUWZKS-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159312864 432678281 /nfs/dbraw/zinc/67/82/81/432678281.db2.gz FAYPPNOXWUWZKS-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000177979391 432682546 /nfs/dbraw/zinc/68/25/46/432682546.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979391 432682551 /nfs/dbraw/zinc/68/25/51/432682551.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979391 432682554 /nfs/dbraw/zinc/68/25/54/432682554.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979391 432682558 /nfs/dbraw/zinc/68/25/58/432682558.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979391 432682559 /nfs/dbraw/zinc/68/25/59/432682559.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 2 1 315.505 3.242 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187766414 432683881 /nfs/dbraw/zinc/68/38/81/432683881.db2.gz XIEQRMRLPWUUFK-IBGZPJMESA-N 2 1 321.484 3.284 20 0 DGADMP CC[NH+]1CCC([NH2+]C[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC000274593806 432686872 /nfs/dbraw/zinc/68/68/72/432686872.db2.gz OBHSFTMMGGUJBV-IBGZPJMESA-N 2 1 320.477 3.235 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC000266556166 432765178 /nfs/dbraw/zinc/76/51/78/432765178.db2.gz MBMKJHXFVJAJKC-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC000266556166 432765183 /nfs/dbraw/zinc/76/51/83/432765183.db2.gz MBMKJHXFVJAJKC-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC000266556166 432765187 /nfs/dbraw/zinc/76/51/87/432765187.db2.gz MBMKJHXFVJAJKC-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696508 432768626 /nfs/dbraw/zinc/76/86/26/432768626.db2.gz JFGSNPUBDOHBJJ-CABCVRRESA-N 2 1 301.434 3.057 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000266611456 432770796 /nfs/dbraw/zinc/77/07/96/432770796.db2.gz WQFOXNFKZFBGLU-HXUWFJFHSA-N 2 1 318.505 3.300 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(F)c1)CC1CC[NH2+]CC1 ZINC000161506867 432782723 /nfs/dbraw/zinc/78/27/23/432782723.db2.gz NRVMBSGFPLVMBB-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189319226 432777050 /nfs/dbraw/zinc/77/70/50/432777050.db2.gz FGPXVHXMGSJHBI-CQSZACIVSA-N 2 1 308.429 3.474 20 0 DGADMP C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1Br ZINC000161450524 432779108 /nfs/dbraw/zinc/77/91/08/432779108.db2.gz RXIHVZIYHHIUPG-SNVBAGLBSA-N 2 1 315.230 3.333 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178392366 432729974 /nfs/dbraw/zinc/72/99/74/432729974.db2.gz GCZMGSBHDXPQPV-LLVKDONJSA-N 2 1 302.340 3.330 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]CC1 ZINC000231457566 432732548 /nfs/dbraw/zinc/73/25/48/432732548.db2.gz OGIQEGMKQRYZJH-SNVBAGLBSA-N 2 1 303.269 3.085 20 0 DGADMP C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]CC1 ZINC000231457566 432732552 /nfs/dbraw/zinc/73/25/52/432732552.db2.gz OGIQEGMKQRYZJH-SNVBAGLBSA-N 2 1 303.269 3.085 20 0 DGADMP c1coc(CC[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000162196527 432816220 /nfs/dbraw/zinc/81/62/20/432816220.db2.gz CWBHJJKBDBMXOZ-SXLOBPIMSA-N 2 1 310.441 3.322 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccco3)CC2)nc(C)[nH+]1 ZINC000162285946 432818336 /nfs/dbraw/zinc/81/83/36/432818336.db2.gz FQPCCQOUVMNKRV-ZDUSSCGKSA-N 2 1 300.406 3.006 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC000162334808 432820424 /nfs/dbraw/zinc/82/04/24/432820424.db2.gz VDYISMUOJJVPSO-FQEVSTJZSA-N 2 1 316.489 3.242 20 0 DGADMP CCN(CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000162841857 432835881 /nfs/dbraw/zinc/83/58/81/432835881.db2.gz QWOXAJIHYNEORI-JENIJYKNSA-N 2 1 303.494 3.221 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000162885213 432836351 /nfs/dbraw/zinc/83/63/51/432836351.db2.gz ZTNRCWKKRGHCIU-XHSDSOJGSA-N 2 1 308.466 3.382 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000266757678 432785472 /nfs/dbraw/zinc/78/54/72/432785472.db2.gz SALRXSDEFYAJAE-QGZVFWFLSA-N 2 1 310.869 3.180 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000266757678 432785477 /nfs/dbraw/zinc/78/54/77/432785477.db2.gz SALRXSDEFYAJAE-QGZVFWFLSA-N 2 1 310.869 3.180 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCO[C@H](c2ccccc2F)C1 ZINC000162899627 432838236 /nfs/dbraw/zinc/83/82/36/432838236.db2.gz LUTOBIHNKYYOAP-SFHVURJKSA-N 2 1 317.408 3.184 20 0 DGADMP C[NH+](CC[C@H]1CCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482803 432789534 /nfs/dbraw/zinc/78/95/34/432789534.db2.gz SIYCCLDCQSSINY-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178973076 432792430 /nfs/dbraw/zinc/79/24/30/432792430.db2.gz ZYSRTRNKHUOFIU-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000161962653 432805577 /nfs/dbraw/zinc/80/55/77/432805577.db2.gz BDEWUCVDLMZTHP-PBHICJAKSA-N 2 1 315.486 3.282 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCOC1 ZINC000162155568 432814320 /nfs/dbraw/zinc/81/43/20/432814320.db2.gz AUHFRCKTBQBKAD-UYAOXDASSA-N 2 1 316.489 3.364 20 0 DGADMP CC[NH+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245749433 432861259 /nfs/dbraw/zinc/86/12/59/432861259.db2.gz TWRGGTHDMGPLNF-OWZKRDHZSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245858577 432866494 /nfs/dbraw/zinc/86/64/94/432866494.db2.gz HLWFCLASKOWQGF-TVFCKZIOSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000277710860 432871685 /nfs/dbraw/zinc/87/16/85/432871685.db2.gz IOQZEDBODSJGRY-CVEARBPZSA-N 2 1 308.441 3.020 20 0 DGADMP C[C@@H](CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201236 432883243 /nfs/dbraw/zinc/88/32/43/432883243.db2.gz ZDTUOQGJBRWDCC-KSSFIOAISA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201236 432883245 /nfs/dbraw/zinc/88/32/45/432883245.db2.gz ZDTUOQGJBRWDCC-KSSFIOAISA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201236 432883247 /nfs/dbraw/zinc/88/32/47/432883247.db2.gz ZDTUOQGJBRWDCC-KSSFIOAISA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201236 432883249 /nfs/dbraw/zinc/88/32/49/432883249.db2.gz ZDTUOQGJBRWDCC-KSSFIOAISA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278397641 432892715 /nfs/dbraw/zinc/89/27/15/432892715.db2.gz FLAMNLOQPLOLDL-PKOFMYQESA-N 2 1 314.473 3.197 20 0 DGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278403508 432892917 /nfs/dbraw/zinc/89/29/17/432892917.db2.gz DSLXSPYCNQFCLA-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278403508 432892921 /nfs/dbraw/zinc/89/29/21/432892921.db2.gz DSLXSPYCNQFCLA-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000245637169 432851150 /nfs/dbraw/zinc/85/11/50/432851150.db2.gz ACTMKCZWHOEHRL-IYWMVGAKSA-N 2 1 314.473 3.197 20 0 DGADMP CC(C)(CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245654311 432852939 /nfs/dbraw/zinc/85/29/39/432852939.db2.gz DETUMATYGUFGMQ-LDLYASANSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245717397 432858151 /nfs/dbraw/zinc/85/81/51/432858151.db2.gz OFVMUBGBJYUTJY-WTGUMLROSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)cc1F ZINC000296559909 432922189 /nfs/dbraw/zinc/92/21/89/432922189.db2.gz VCRCHLHZCOLKDU-XHDPSFHLSA-N 2 1 305.422 3.161 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cnc2ccsc2c1 ZINC000279000558 432924963 /nfs/dbraw/zinc/92/49/63/432924963.db2.gz RHSNVRKIVUWCTG-QWHCGFSZSA-N 2 1 312.442 3.406 20 0 DGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000279001841 432924992 /nfs/dbraw/zinc/92/49/92/432924992.db2.gz ROMWXNMSIKKDEE-DOTOQJQBSA-N 2 1 323.440 3.482 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000289129031 432925573 /nfs/dbraw/zinc/92/55/73/432925573.db2.gz DUZCOSOMSGYTPL-INIZCTEOSA-N 2 1 304.409 3.038 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000289205015 432933147 /nfs/dbraw/zinc/93/31/47/432933147.db2.gz HZEZTHWSTGZYGD-UHFFFAOYSA-N 2 1 324.465 3.011 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCc1c[nH+]cn1C ZINC000289253336 432937827 /nfs/dbraw/zinc/93/78/27/432937827.db2.gz BQHNFYAJSSIJRG-CXAGYDPISA-N 2 1 319.836 3.078 20 0 DGADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000289259108 432939517 /nfs/dbraw/zinc/93/95/17/432939517.db2.gz MKZLIKGGSGNEOV-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000289259108 432939519 /nfs/dbraw/zinc/93/95/19/432939519.db2.gz MKZLIKGGSGNEOV-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289259108 432939522 /nfs/dbraw/zinc/93/95/22/432939522.db2.gz MKZLIKGGSGNEOV-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289259108 432939525 /nfs/dbraw/zinc/93/95/25/432939525.db2.gz MKZLIKGGSGNEOV-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289330651 432944926 /nfs/dbraw/zinc/94/49/26/432944926.db2.gz VQKNCKMBGSKLDV-CZUORRHYSA-N 2 1 306.425 3.143 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000296525093 432918701 /nfs/dbraw/zinc/91/87/01/432918701.db2.gz QERPSHPXGOWULP-NEPJUHHUSA-N 2 1 317.260 3.445 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000289589798 432969496 /nfs/dbraw/zinc/96/94/96/432969496.db2.gz BYMMBROFPGGBLH-UXPWSPDFSA-N 2 1 316.489 3.185 20 0 DGADMP C[C@@H]1C[C@H](NCc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239790 432979515 /nfs/dbraw/zinc/97/95/15/432979515.db2.gz ILOVMAPUMBMYGW-ZIAGYGMSSA-N 3 1 318.852 3.098 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CCN1C ZINC000297239790 432979520 /nfs/dbraw/zinc/97/95/20/432979520.db2.gz ILOVMAPUMBMYGW-ZIAGYGMSSA-N 2 1 318.852 3.098 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000341184282 432986775 /nfs/dbraw/zinc/98/67/75/432986775.db2.gz ISOUEXHLQJAGLS-UHFFFAOYSA-N 2 1 322.403 3.205 20 0 DGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341200855 432989613 /nfs/dbraw/zinc/98/96/13/432989613.db2.gz ZYFQEGYXRXACMR-UHFFFAOYSA-N 2 1 317.477 3.022 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1ccccc1 ZINC000279734788 432990593 /nfs/dbraw/zinc/99/05/93/432990593.db2.gz WMOJCYWERQUDIN-YRXWBPOGSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(Cl)c1 ZINC000297315510 432992376 /nfs/dbraw/zinc/99/23/76/432992376.db2.gz BZGLBVDSAKJOMV-CYBMUJFWSA-N 2 1 308.853 3.324 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000290133139 432997372 /nfs/dbraw/zinc/99/73/72/432997372.db2.gz KBTZVIVPVKJKIY-NSISKUIASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000290133139 432997378 /nfs/dbraw/zinc/99/73/78/432997378.db2.gz KBTZVIVPVKJKIY-NSISKUIASA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cncc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000297672157 433005581 /nfs/dbraw/zinc/00/55/81/433005581.db2.gz OSBZTCSQUGWYIO-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290198097 433010536 /nfs/dbraw/zinc/01/05/36/433010536.db2.gz SXKMYYLCSDQTHK-IEBWSBKVSA-N 2 1 314.473 3.155 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1O ZINC000297768648 433014818 /nfs/dbraw/zinc/01/48/18/433014818.db2.gz VKDBVLIMICOIEJ-OAHLLOKOSA-N 2 1 306.450 3.145 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297824880 433020914 /nfs/dbraw/zinc/02/09/14/433020914.db2.gz ZDXCZFSHCJRGGK-OAHLLOKOSA-N 2 1 302.462 3.090 20 0 DGADMP Fc1ccccc1N1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000297818723 433021832 /nfs/dbraw/zinc/02/18/32/433021832.db2.gz YTOFHAQIZUUTPS-INIZCTEOSA-N 2 1 317.452 3.011 20 0 DGADMP CCCCc1nc2ccc(NC(=O)Cn3ccnc3C)cc2[nH]1 ZINC000297854205 433024639 /nfs/dbraw/zinc/02/46/39/433024639.db2.gz PJMYQFARUAMBTH-UHFFFAOYSA-N 2 1 311.389 3.049 20 0 DGADMP COc1ccc2oc(C[N@H+](C)CCCn3cc[nH+]c3C)cc2c1 ZINC000290295217 433028034 /nfs/dbraw/zinc/02/80/34/433028034.db2.gz ATOTWMXDLSYYHR-UHFFFAOYSA-N 2 1 313.401 3.468 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)CCCn3cc[nH+]c3C)cc2c1 ZINC000290295217 433028038 /nfs/dbraw/zinc/02/80/38/433028038.db2.gz ATOTWMXDLSYYHR-UHFFFAOYSA-N 2 1 313.401 3.468 20 0 DGADMP COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000290365019 433038765 /nfs/dbraw/zinc/03/87/65/433038765.db2.gz QYNJRWWEJPTWHX-ZACQAIPSSA-N 2 1 308.853 3.244 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(C)(c3ccccc3)C2)CCCO1 ZINC000298144388 433051253 /nfs/dbraw/zinc/05/12/53/433051253.db2.gz QZMIVWVIQYTBLP-KKXNLOMOSA-N 2 1 316.489 3.197 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(C)(c3ccccc3)C2)CCCO1 ZINC000298144388 433051259 /nfs/dbraw/zinc/05/12/59/433051259.db2.gz QZMIVWVIQYTBLP-KKXNLOMOSA-N 2 1 316.489 3.197 20 0 DGADMP CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000341449936 433062854 /nfs/dbraw/zinc/06/28/54/433062854.db2.gz FKJBCZHIDUXWGR-QZTJIDSGSA-N 2 1 322.468 3.349 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000341458539 433072377 /nfs/dbraw/zinc/07/23/77/433072377.db2.gz DEKSWJUWZLEAHM-AWEZNQCLSA-N 2 1 317.433 3.340 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(CC)s1 ZINC000290519245 433078777 /nfs/dbraw/zinc/07/87/77/433078777.db2.gz PZCKBQSBCONOCG-UHFFFAOYSA-N 2 1 306.479 3.377 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(CC)s1 ZINC000290519245 433078786 /nfs/dbraw/zinc/07/87/86/433078786.db2.gz PZCKBQSBCONOCG-UHFFFAOYSA-N 2 1 306.479 3.377 20 0 DGADMP COc1ccc2oc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc2c1 ZINC000290538010 433088558 /nfs/dbraw/zinc/08/85/58/433088558.db2.gz RBXCTCDKXBPZEY-SUMWQHHRSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc2c1 ZINC000290538010 433088564 /nfs/dbraw/zinc/08/85/64/433088564.db2.gz RBXCTCDKXBPZEY-SUMWQHHRSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c1 ZINC000290538010 433088571 /nfs/dbraw/zinc/08/85/71/433088571.db2.gz RBXCTCDKXBPZEY-SUMWQHHRSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1 ZINC000290538010 433088579 /nfs/dbraw/zinc/08/85/79/433088579.db2.gz RBXCTCDKXBPZEY-SUMWQHHRSA-N 2 1 302.418 3.213 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]3C)sc2C1 ZINC000341495187 433094097 /nfs/dbraw/zinc/09/40/97/433094097.db2.gz YGBFWXAMPLYVTK-UONOGXRCSA-N 2 1 307.507 3.435 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]3C)sc2C1 ZINC000341495187 433094106 /nfs/dbraw/zinc/09/41/06/433094106.db2.gz YGBFWXAMPLYVTK-UONOGXRCSA-N 2 1 307.507 3.435 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000361347582 433121698 /nfs/dbraw/zinc/12/16/98/433121698.db2.gz WJMNAAGNHHLSPY-VQIMIIECSA-N 2 1 316.489 3.091 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000453394768 433149593 /nfs/dbraw/zinc/14/95/93/433149593.db2.gz GZSYLDRNXAUQLX-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000420298360 433150507 /nfs/dbraw/zinc/15/05/07/433150507.db2.gz FBHXDFIXKZPMNH-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@H]2C)cc1 ZINC000420295755 433150748 /nfs/dbraw/zinc/15/07/48/433150748.db2.gz CPXCDNDXJNQCKX-BEFAXECRSA-N 2 1 310.441 3.184 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300280 433153166 /nfs/dbraw/zinc/15/31/66/433153166.db2.gz JWAUNWRIFHKXQW-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300280 433153178 /nfs/dbraw/zinc/15/31/78/433153178.db2.gz JWAUNWRIFHKXQW-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP c1ccc([C@H]2OCCC[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298338054 433102513 /nfs/dbraw/zinc/10/25/13/433102513.db2.gz JCOBLLNKDRAWLY-FXAWDEMLSA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453342501 433103155 /nfs/dbraw/zinc/10/31/55/433103155.db2.gz CPRSYKICPMQTDD-KNJMJIDISA-N 2 1 316.489 3.321 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000290583785 433103614 /nfs/dbraw/zinc/10/36/14/433103614.db2.gz UTEQYXSATBBWHB-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000290583785 433103625 /nfs/dbraw/zinc/10/36/25/433103625.db2.gz UTEQYXSATBBWHB-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000290583785 433103633 /nfs/dbraw/zinc/10/36/33/433103633.db2.gz UTEQYXSATBBWHB-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000290583785 433103641 /nfs/dbraw/zinc/10/36/41/433103641.db2.gz UTEQYXSATBBWHB-RDJZCZTQSA-N 2 1 306.425 3.141 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453342503 433103550 /nfs/dbraw/zinc/10/35/50/433103550.db2.gz CPRSYKICPMQTDD-WPVAHCMFSA-N 2 1 316.489 3.321 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(COC)o1 ZINC000290597332 433110189 /nfs/dbraw/zinc/11/01/89/433110189.db2.gz VRANTIBHGJWMRE-UHFFFAOYSA-N 2 1 305.422 3.097 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(COC)o1 ZINC000290597332 433110196 /nfs/dbraw/zinc/11/01/96/433110196.db2.gz VRANTIBHGJWMRE-UHFFFAOYSA-N 2 1 305.422 3.097 20 0 DGADMP CC[N@@H+]1C[C@H](N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)[C@@H](C)C1 ZINC000453358052 433116458 /nfs/dbraw/zinc/11/64/58/433116458.db2.gz JQZCUTYJNDPWJP-IRXDYDNUSA-N 2 1 309.542 3.159 20 0 DGADMP CC[N@H+]1C[C@H](C)[C@H](N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000453358048 433117745 /nfs/dbraw/zinc/11/77/45/433117745.db2.gz JQZCUTYJNDPWJP-DLBZAZTESA-N 2 1 309.542 3.159 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000350222318 433118448 /nfs/dbraw/zinc/11/84/48/433118448.db2.gz RSZQDYWIIJBCIW-YJBOKZPZSA-N 2 1 308.441 3.319 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000420300940 433155803 /nfs/dbraw/zinc/15/58/03/433155803.db2.gz IDMBMEYTZDCDKC-HNNXBMFYSA-N 2 1 300.450 3.069 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1O ZINC000290758783 433160210 /nfs/dbraw/zinc/16/02/10/433160210.db2.gz RKMVOZUJRSCPIK-AWEZNQCLSA-N 2 1 306.450 3.173 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420314923 433161460 /nfs/dbraw/zinc/16/14/60/433161460.db2.gz KNRNSDRMQCFOCQ-QAPCUYQASA-N 2 1 312.461 3.193 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1c1ccccc1 ZINC000420313989 433162425 /nfs/dbraw/zinc/16/24/25/433162425.db2.gz KOZOIIMIMMWESR-MSOLQXFVSA-N 2 1 300.471 3.355 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000453409605 433163560 /nfs/dbraw/zinc/16/35/60/433163560.db2.gz WNVUHEWSQJETAU-IYOUNJFTSA-N 2 1 308.441 3.085 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000420325065 433164388 /nfs/dbraw/zinc/16/43/88/433164388.db2.gz WCLVOZXXVBFQFC-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2cccs2)cc1 ZINC000420321796 433164474 /nfs/dbraw/zinc/16/44/74/433164474.db2.gz RVNREZAXRHDCAN-HIFRSBDPSA-N 2 1 304.459 3.492 20 0 DGADMP CCOc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccc1O ZINC000298535135 433167909 /nfs/dbraw/zinc/16/79/09/433167909.db2.gz SLBSGXUUHMKTFG-INIZCTEOSA-N 2 1 320.477 3.393 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000336659545 433171908 /nfs/dbraw/zinc/17/19/08/433171908.db2.gz YSTGDFJYTKDTIC-MANSERQUSA-N 2 1 316.514 3.382 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656133 433173250 /nfs/dbraw/zinc/17/32/50/433173250.db2.gz KTSVZZPNCQEWDI-NBYUQASBSA-N 2 1 316.489 3.038 20 0 DGADMP Clc1cccc(O[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000420356931 433177764 /nfs/dbraw/zinc/17/77/64/433177764.db2.gz HELCYARPXLDZSY-YOEHRIQHSA-N 2 1 308.853 3.183 20 0 DGADMP CCC(=O)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336706231 433178271 /nfs/dbraw/zinc/17/82/71/433178271.db2.gz IHSHOEBVACEPHL-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336706231 433178283 /nfs/dbraw/zinc/17/82/83/433178283.db2.gz IHSHOEBVACEPHL-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336706231 433178291 /nfs/dbraw/zinc/17/82/91/433178291.db2.gz IHSHOEBVACEPHL-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336706231 433178301 /nfs/dbraw/zinc/17/83/01/433178301.db2.gz IHSHOEBVACEPHL-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP Clc1cccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420370665 433181529 /nfs/dbraw/zinc/18/15/29/433181529.db2.gz YWAKBBRKHLWILH-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1cccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420370665 433181538 /nfs/dbraw/zinc/18/15/38/433181538.db2.gz YWAKBBRKHLWILH-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420367547 433183871 /nfs/dbraw/zinc/18/38/71/433183871.db2.gz GYJINASUDSZTGN-ZFWWWQNUSA-N 2 1 312.379 3.494 20 0 DGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1Br ZINC000420378749 433185871 /nfs/dbraw/zinc/18/58/71/433185871.db2.gz UOODRXDKERNZBL-ZDUSSCGKSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COCc1ccccc1 ZINC000298599819 433188490 /nfs/dbraw/zinc/18/84/90/433188490.db2.gz ZCFWVGLKUUJMKF-INIZCTEOSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)OC ZINC000420380370 433188771 /nfs/dbraw/zinc/18/87/71/433188771.db2.gz WGRQONYXNAYRNU-WMZOPIPTSA-N 2 1 318.461 3.002 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420378965 433189500 /nfs/dbraw/zinc/18/95/00/433189500.db2.gz UUXJPVKEASUELL-RKVPGOIHSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420378965 433189506 /nfs/dbraw/zinc/18/95/06/433189506.db2.gz UUXJPVKEASUELL-RKVPGOIHSA-N 2 1 322.880 3.492 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402862 433196036 /nfs/dbraw/zinc/19/60/36/433196036.db2.gz QVVNLCCOHVEULT-YJBOKZPZSA-N 2 1 313.420 3.338 20 0 DGADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C2CCCCC2)n1 ZINC000453592346 433225532 /nfs/dbraw/zinc/22/55/32/433225532.db2.gz DVGDZVQFIJEFER-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575784 433225867 /nfs/dbraw/zinc/22/58/67/433225867.db2.gz HYGXOJITGCPIJZ-SFHVURJKSA-N 2 1 300.446 3.356 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575784 433225880 /nfs/dbraw/zinc/22/58/80/433225880.db2.gz HYGXOJITGCPIJZ-SFHVURJKSA-N 2 1 300.446 3.356 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575784 433225887 /nfs/dbraw/zinc/22/58/87/433225887.db2.gz HYGXOJITGCPIJZ-SFHVURJKSA-N 2 1 300.446 3.356 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000374575784 433225897 /nfs/dbraw/zinc/22/58/97/433225897.db2.gz HYGXOJITGCPIJZ-SFHVURJKSA-N 2 1 300.446 3.356 20 0 DGADMP CO[C@@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000425417863 433234858 /nfs/dbraw/zinc/23/48/58/433234858.db2.gz NMAWZGAFNIBATB-IBGZPJMESA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000425417863 433234867 /nfs/dbraw/zinc/23/48/67/433234867.db2.gz NMAWZGAFNIBATB-IBGZPJMESA-N 2 1 302.462 3.008 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1O ZINC000291500837 433254483 /nfs/dbraw/zinc/25/44/83/433254483.db2.gz HMCYRXIHUMTMCK-HUUCEWRRSA-N 2 1 308.466 3.040 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1O ZINC000291500837 433254489 /nfs/dbraw/zinc/25/44/89/433254489.db2.gz HMCYRXIHUMTMCK-HUUCEWRRSA-N 2 1 308.466 3.040 20 0 DGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000341786516 433278399 /nfs/dbraw/zinc/27/83/99/433278399.db2.gz QWWFPDJPSRNTIN-AZUAARDMSA-N 2 1 316.489 3.234 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)OCc1ccccc1 ZINC000354809937 433288317 /nfs/dbraw/zinc/28/83/17/433288317.db2.gz SXTXKXCMZQVMJY-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420930837 433325526 /nfs/dbraw/zinc/32/55/26/433325526.db2.gz SMEGCAQOVUUZJE-HOCLYGCPSA-N 2 1 321.465 3.024 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420930837 433325536 /nfs/dbraw/zinc/32/55/36/433325536.db2.gz SMEGCAQOVUUZJE-HOCLYGCPSA-N 2 1 321.465 3.024 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338430005 433299265 /nfs/dbraw/zinc/29/92/65/433299265.db2.gz ISXZXYXVLLRUHN-XMTFNYHQSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338430005 433299275 /nfs/dbraw/zinc/29/92/75/433299275.db2.gz ISXZXYXVLLRUHN-XMTFNYHQSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338430005 433299285 /nfs/dbraw/zinc/29/92/85/433299285.db2.gz ISXZXYXVLLRUHN-XMTFNYHQSA-N 2 1 323.525 3.019 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000420900900 433304001 /nfs/dbraw/zinc/30/40/01/433304001.db2.gz IZCJVSOJEGCYQB-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000420900900 433304010 /nfs/dbraw/zinc/30/40/10/433304010.db2.gz IZCJVSOJEGCYQB-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000341896358 433346569 /nfs/dbraw/zinc/34/65/69/433346569.db2.gz KIENWWNVZHEZHK-VQIMIIECSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000341896358 433346578 /nfs/dbraw/zinc/34/65/78/433346578.db2.gz KIENWWNVZHEZHK-VQIMIIECSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420971462 433361947 /nfs/dbraw/zinc/36/19/47/433361947.db2.gz KBYUTGNLJPEZTE-MRXNPFEDSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420971462 433361957 /nfs/dbraw/zinc/36/19/57/433361957.db2.gz KBYUTGNLJPEZTE-MRXNPFEDSA-N 2 1 302.462 3.282 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCC3CCCC3)CC2)CC1 ZINC000420983811 433364281 /nfs/dbraw/zinc/36/42/81/433364281.db2.gz RQYVIXSHPCJDEL-UHFFFAOYSA-N 2 1 321.553 3.449 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000420986457 433367177 /nfs/dbraw/zinc/36/71/77/433367177.db2.gz YMJXUFFJLVRAKN-SFHVURJKSA-N 2 1 315.505 3.240 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000414060138 433368756 /nfs/dbraw/zinc/36/87/56/433368756.db2.gz JBYAALVDMQKYCW-INIZCTEOSA-N 2 1 319.493 3.265 20 0 DGADMP CCN(CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)CC(F)(F)F ZINC000354859461 433327107 /nfs/dbraw/zinc/32/71/07/433327107.db2.gz UCABZGHVUJJRQB-LSDHHAIUSA-N 2 1 323.447 3.065 20 0 DGADMP CCN(CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)CC(F)(F)F ZINC000354859461 433327119 /nfs/dbraw/zinc/32/71/19/433327119.db2.gz UCABZGHVUJJRQB-LSDHHAIUSA-N 2 1 323.447 3.065 20 0 DGADMP CCN(CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)CC(F)(F)F ZINC000354859461 433327131 /nfs/dbraw/zinc/32/71/31/433327131.db2.gz UCABZGHVUJJRQB-LSDHHAIUSA-N 2 1 323.447 3.065 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+](CC1CC1)CC1CC1 ZINC000420939525 433332438 /nfs/dbraw/zinc/33/24/38/433332438.db2.gz QMBHDDWDTWLOJL-UHFFFAOYSA-N 2 1 314.473 3.141 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885723 433335758 /nfs/dbraw/zinc/33/57/58/433335758.db2.gz FZCACZPFVUTRPU-WFASDCNBSA-N 2 1 315.383 3.405 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341884087 433336832 /nfs/dbraw/zinc/33/68/32/433336832.db2.gz KACSRSSHMBLLFK-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341884087 433336843 /nfs/dbraw/zinc/33/68/43/433336843.db2.gz KACSRSSHMBLLFK-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339069062 433339305 /nfs/dbraw/zinc/33/93/05/433339305.db2.gz QPMWFHHEAWKKHY-YRXWBPOGSA-N 2 1 318.436 3.262 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339069062 433339312 /nfs/dbraw/zinc/33/93/12/433339312.db2.gz QPMWFHHEAWKKHY-YRXWBPOGSA-N 2 1 318.436 3.262 20 0 DGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000425938608 433380702 /nfs/dbraw/zinc/38/07/02/433380702.db2.gz QQJKZGLMQZVZQI-OLZOCXBDSA-N 2 1 300.393 3.445 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339134104 433382086 /nfs/dbraw/zinc/38/20/86/433382086.db2.gz DVYYBQXNKQBYDD-ZIAGYGMSSA-N 2 1 301.438 3.080 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000414082009 433384008 /nfs/dbraw/zinc/38/40/08/433384008.db2.gz VTUOPWAQWVAOQV-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029551 433397814 /nfs/dbraw/zinc/39/78/14/433397814.db2.gz VESYYXUIATWFSY-SJORKVTESA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029551 433397821 /nfs/dbraw/zinc/39/78/21/433397821.db2.gz VESYYXUIATWFSY-SJORKVTESA-N 2 1 324.509 3.162 20 0 DGADMP Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301100553 433415274 /nfs/dbraw/zinc/41/52/74/433415274.db2.gz YAOHADXPRODROA-IYBDPMFKSA-N 2 1 313.445 3.454 20 0 DGADMP C[N@@H+](C/C=C/c1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426163086 433433597 /nfs/dbraw/zinc/43/35/97/433433597.db2.gz URKOVZIRSAAVRN-NSCUHMNNSA-N 2 1 322.456 3.338 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892938 433437567 /nfs/dbraw/zinc/43/75/67/433437567.db2.gz NNRDXOYVPSVSJG-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892938 433437580 /nfs/dbraw/zinc/43/75/80/433437580.db2.gz NNRDXOYVPSVSJG-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892937 433438834 /nfs/dbraw/zinc/43/88/34/433438834.db2.gz NNRDXOYVPSVSJG-HLIPFELVSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892937 433438844 /nfs/dbraw/zinc/43/88/44/433438844.db2.gz NNRDXOYVPSVSJG-HLIPFELVSA-N 2 1 316.489 3.038 20 0 DGADMP COc1ncc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414177916 433441028 /nfs/dbraw/zinc/44/10/28/433441028.db2.gz JHVAZDKHYUHJFN-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414174970 433442282 /nfs/dbraw/zinc/44/22/82/433442282.db2.gz HWDYCXPKKHVCPH-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000414180396 433444072 /nfs/dbraw/zinc/44/40/72/433444072.db2.gz LZJRYEKPHOXBTM-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000414181929 433445832 /nfs/dbraw/zinc/44/58/32/433445832.db2.gz MOTMJXYXANMQPA-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414193920 433454799 /nfs/dbraw/zinc/45/47/99/433454799.db2.gz UAKBMXOYQYZRTH-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)C[C@H]21 ZINC000342084588 433458805 /nfs/dbraw/zinc/45/88/05/433458805.db2.gz LYKRGLBLSQAAHP-KBRIMQKVSA-N 2 1 308.853 3.168 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414209482 433464131 /nfs/dbraw/zinc/46/41/31/433464131.db2.gz MQKOYNLFIMSEMU-IVDHNXQLSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262137546 290238643 /nfs/dbraw/zinc/23/86/43/290238643.db2.gz MBUQBBJKIWUFLE-WXYCVUISSA-N 2 1 310.388 3.408 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC000342106120 433474426 /nfs/dbraw/zinc/47/44/26/433474426.db2.gz OVGAFSBJJJOWPB-JGGQBBKZSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC000342106120 433474435 /nfs/dbraw/zinc/47/44/35/433474435.db2.gz OVGAFSBJJJOWPB-JGGQBBKZSA-N 2 1 315.392 3.040 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128642 433481060 /nfs/dbraw/zinc/48/10/60/433481060.db2.gz VOHHNQNKMZFFGB-GJZGRUSLSA-N 2 1 318.452 3.291 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128642 433481069 /nfs/dbraw/zinc/48/10/69/433481069.db2.gz VOHHNQNKMZFFGB-GJZGRUSLSA-N 2 1 318.452 3.291 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000282143767 433512406 /nfs/dbraw/zinc/51/24/06/433512406.db2.gz CHQHIHWOEFQKLP-LJQANCHMSA-N 2 1 315.505 3.062 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)nn1 ZINC000414286884 433513585 /nfs/dbraw/zinc/51/35/85/433513585.db2.gz NQMRXEJUVQBRDB-QGZVFWFLSA-N 2 1 324.472 3.449 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)nn1 ZINC000414286884 433513594 /nfs/dbraw/zinc/51/35/94/433513594.db2.gz NQMRXEJUVQBRDB-QGZVFWFLSA-N 2 1 324.472 3.449 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)C(C)C ZINC000414299985 433524126 /nfs/dbraw/zinc/52/41/26/433524126.db2.gz RZSXMTZGESTZGW-MOPGFXCFSA-N 2 1 304.478 3.036 20 0 DGADMP COC1([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414298793 433525484 /nfs/dbraw/zinc/52/54/84/433525484.db2.gz HJTSOWLNYKGYNA-AOIWGVFYSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000375704454 433534517 /nfs/dbraw/zinc/53/45/17/433534517.db2.gz CCHSRKWJPQIECV-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)N(C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538429 433558832 /nfs/dbraw/zinc/55/88/32/433558832.db2.gz RBZYTWRUSCTLTP-SCLBCKFNSA-N 2 1 322.880 3.321 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000339428145 433575511 /nfs/dbraw/zinc/57/55/11/433575511.db2.gz MZVYIKRTVDKUFR-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428145 433575522 /nfs/dbraw/zinc/57/55/22/433575522.db2.gz MZVYIKRTVDKUFR-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428145 433575531 /nfs/dbraw/zinc/57/55/31/433575531.db2.gz MZVYIKRTVDKUFR-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428145 433575540 /nfs/dbraw/zinc/57/55/40/433575540.db2.gz MZVYIKRTVDKUFR-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428145 433575553 /nfs/dbraw/zinc/57/55/53/433575553.db2.gz MZVYIKRTVDKUFR-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc3nccn32)n1 ZINC000375827441 433582773 /nfs/dbraw/zinc/58/27/73/433582773.db2.gz ZKMZXZLMDMBUDG-MRXNPFEDSA-N 2 1 321.428 3.114 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426763825 433586753 /nfs/dbraw/zinc/58/67/53/433586753.db2.gz DXSQMJTZCBBVNU-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000426763825 433586764 /nfs/dbraw/zinc/58/67/64/433586764.db2.gz DXSQMJTZCBBVNU-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572181 433589430 /nfs/dbraw/zinc/58/94/30/433589430.db2.gz CFQGUHYFZREBKT-QZTJIDSGSA-N 2 1 322.880 3.226 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572181 433589437 /nfs/dbraw/zinc/58/94/37/433589437.db2.gz CFQGUHYFZREBKT-QZTJIDSGSA-N 2 1 322.880 3.226 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C(C)(C)C[NH+]1CCCC1)CC2 ZINC000448985068 433643164 /nfs/dbraw/zinc/64/31/64/433643164.db2.gz PFWUBBLNQXBXEL-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP Cc1cc([C@H](C)NCc2ccccc2C[N@H+](C)C(C)C)nn1C ZINC000282394886 433594609 /nfs/dbraw/zinc/59/46/09/433594609.db2.gz XPKBPWJUCAJZTM-INIZCTEOSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)nn1C ZINC000282394886 433594614 /nfs/dbraw/zinc/59/46/14/433594614.db2.gz XPKBPWJUCAJZTM-INIZCTEOSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)nn1C ZINC000282394886 433594618 /nfs/dbraw/zinc/59/46/18/433594618.db2.gz XPKBPWJUCAJZTM-INIZCTEOSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C)[nH+]1 ZINC000301522968 433596910 /nfs/dbraw/zinc/59/69/10/433596910.db2.gz GNJPDGIHFNRCKC-QGZVFWFLSA-N 2 1 302.466 3.186 20 0 DGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351588333 433598379 /nfs/dbraw/zinc/59/83/79/433598379.db2.gz HEJDVDJOWAMGPP-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351588333 433598384 /nfs/dbraw/zinc/59/83/84/433598384.db2.gz HEJDVDJOWAMGPP-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351588333 433598392 /nfs/dbraw/zinc/59/83/92/433598392.db2.gz HEJDVDJOWAMGPP-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351588333 433598398 /nfs/dbraw/zinc/59/83/98/433598398.db2.gz HEJDVDJOWAMGPP-CQSZACIVSA-N 2 1 300.368 3.479 20 0 DGADMP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301534786 433599533 /nfs/dbraw/zinc/59/95/33/433599533.db2.gz QMGUBJKMLOHYNB-ZDUSSCGKSA-N 2 1 305.447 3.065 20 0 DGADMP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301534786 433599544 /nfs/dbraw/zinc/59/95/44/433599544.db2.gz QMGUBJKMLOHYNB-ZDUSSCGKSA-N 2 1 305.447 3.065 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591572 433600560 /nfs/dbraw/zinc/60/05/60/433600560.db2.gz FTAODXKOXFSSCA-MOPGFXCFSA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591572 433600571 /nfs/dbraw/zinc/60/05/71/433600571.db2.gz FTAODXKOXFSSCA-MOPGFXCFSA-N 2 1 320.452 3.102 20 0 DGADMP Cc1cc(NCC(C)(C)[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000301660732 433661124 /nfs/dbraw/zinc/66/11/24/433661124.db2.gz JJYYGZGDPKYACO-UHFFFAOYSA-N 2 1 317.408 3.205 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(OC(C)(C)C)n1 ZINC000351686249 433662509 /nfs/dbraw/zinc/66/25/09/433662509.db2.gz IWKZFDCVCNSOPY-UHFFFAOYSA-N 2 1 316.449 3.286 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(OC(C)(C)C)n1 ZINC000351686249 433662519 /nfs/dbraw/zinc/66/25/19/433662519.db2.gz IWKZFDCVCNSOPY-UHFFFAOYSA-N 2 1 316.449 3.286 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376094725 433662939 /nfs/dbraw/zinc/66/29/39/433662939.db2.gz LRGDOVJQUFBTIW-SFHVURJKSA-N 2 1 312.461 3.097 20 0 DGADMP CCc1nc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC000342414609 433674714 /nfs/dbraw/zinc/67/47/14/433674714.db2.gz MOGLDIYAVNMNQR-MRXNPFEDSA-N 2 1 324.472 3.985 20 0 DGADMP C[C@@]1(C[NH2+]C2CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000376146323 433675882 /nfs/dbraw/zinc/67/58/82/433675882.db2.gz DPELDNLOOFWORJ-SFHVURJKSA-N 2 1 304.503 3.384 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449026639 433676148 /nfs/dbraw/zinc/67/61/48/433676148.db2.gz JSIBRQTVAXMRHY-UHFFFAOYSA-N 2 1 310.401 3.016 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000356770030 433687562 /nfs/dbraw/zinc/68/75/62/433687562.db2.gz IHVUOOHJFCIMFB-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000356770030 433687568 /nfs/dbraw/zinc/68/75/68/433687568.db2.gz IHVUOOHJFCIMFB-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2C1 ZINC000427288703 433688540 /nfs/dbraw/zinc/68/85/40/433688540.db2.gz MWCPMEIBMRIVDD-HNNXBMFYSA-N 2 1 315.461 3.131 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2C1 ZINC000427288703 433688549 /nfs/dbraw/zinc/68/85/49/433688549.db2.gz MWCPMEIBMRIVDD-HNNXBMFYSA-N 2 1 315.461 3.131 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000366919300 293004433 /nfs/dbraw/zinc/00/44/33/293004433.db2.gz CZIRBKDVZIBLLA-AOIWGVFYSA-N 2 1 317.477 3.251 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000366919300 293004435 /nfs/dbraw/zinc/00/44/35/293004435.db2.gz CZIRBKDVZIBLLA-AOIWGVFYSA-N 2 1 317.477 3.251 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CCC12CCOCC2)Cc1ccccc1 ZINC000367067564 293019864 /nfs/dbraw/zinc/01/98/64/293019864.db2.gz RVZQXRVRWLBSTG-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000368524833 293131263 /nfs/dbraw/zinc/13/12/63/293131263.db2.gz CBNSTTIOJRDZKM-KSZLIROESA-N 2 1 308.510 3.293 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000370675953 293185231 /nfs/dbraw/zinc/18/52/31/293185231.db2.gz GYSMGKLIYANDPY-BFYDXBDKSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCO2 ZINC000370675953 293185233 /nfs/dbraw/zinc/18/52/33/293185233.db2.gz GYSMGKLIYANDPY-BFYDXBDKSA-N 2 1 304.409 3.256 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000372298939 293231618 /nfs/dbraw/zinc/23/16/18/293231618.db2.gz UHACPYDTWWQMPH-OAHLLOKOSA-N 2 1 308.385 3.065 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372978054 293246741 /nfs/dbraw/zinc/24/67/41/293246741.db2.gz IKPJHKGCDCALFS-INIZCTEOSA-N 2 1 306.498 3.171 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372978054 293246746 /nfs/dbraw/zinc/24/67/46/293246746.db2.gz IKPJHKGCDCALFS-INIZCTEOSA-N 2 1 306.498 3.171 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374326193 293385008 /nfs/dbraw/zinc/38/50/08/293385008.db2.gz DFXZUHPCUKSUJW-IXDOHACOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374326193 293385011 /nfs/dbraw/zinc/38/50/11/293385011.db2.gz DFXZUHPCUKSUJW-IXDOHACOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449131179 433726218 /nfs/dbraw/zinc/72/62/18/433726218.db2.gz KOTXWXAGUVNZAR-LMMKCTJWSA-N 2 1 309.542 3.064 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000356854558 433730397 /nfs/dbraw/zinc/73/03/97/433730397.db2.gz UITDPKFWSJBSCY-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000356854558 433730405 /nfs/dbraw/zinc/73/04/05/433730405.db2.gz UITDPKFWSJBSCY-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1F ZINC000356846805 433732768 /nfs/dbraw/zinc/73/27/68/433732768.db2.gz IZTJFOAITYZCDR-CZUORRHYSA-N 2 1 317.408 3.225 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[NH+]1CCCC1 ZINC000421820302 433742365 /nfs/dbraw/zinc/74/23/65/433742365.db2.gz LUVYDPZEXVGVLL-IEBWSBKVSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421821054 433743476 /nfs/dbraw/zinc/74/34/76/433743476.db2.gz PDTNHTMCSVNFLR-ZIFCJYIRSA-N 2 1 315.505 3.287 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC000356881261 433744078 /nfs/dbraw/zinc/74/40/78/433744078.db2.gz UUZQBEMEIRUTQC-ZIFCJYIRSA-N 2 1 304.478 3.302 20 0 DGADMP COCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428225111 433752235 /nfs/dbraw/zinc/75/22/35/433752235.db2.gz XZFDKXOKTMFENO-XUVXKRRUSA-N 2 1 316.489 3.303 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000449625042 433758737 /nfs/dbraw/zinc/75/87/37/433758737.db2.gz AOPMVEVMTYAYGX-FEHORTKBSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000449625042 433758746 /nfs/dbraw/zinc/75/87/46/433758746.db2.gz AOPMVEVMTYAYGX-FEHORTKBSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000351865464 433764505 /nfs/dbraw/zinc/76/45/05/433764505.db2.gz NHKWFTQFKORWHJ-XLIONFOSSA-N 2 1 324.468 3.462 20 0 DGADMP CC[C@H](COC)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000283849493 433787782 /nfs/dbraw/zinc/78/77/82/433787782.db2.gz BDLJICPOPKKALZ-LMDPOFIKSA-N 2 1 304.478 3.444 20 0 DGADMP Cc1cc([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877731 433791102 /nfs/dbraw/zinc/79/11/02/433791102.db2.gz CBZKEZLHILRHEM-FUHWJXTLSA-N 2 1 313.445 3.198 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414697278 433795139 /nfs/dbraw/zinc/79/51/39/433795139.db2.gz IKAMIJMGLRNSGS-MDZRGWNJSA-N 2 1 301.478 3.278 20 0 DGADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000356977768 433799458 /nfs/dbraw/zinc/79/94/58/433799458.db2.gz YSYKCJIOZHXOCR-BPQIPLTHSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000356977768 433799467 /nfs/dbraw/zinc/79/94/67/433799467.db2.gz YSYKCJIOZHXOCR-BPQIPLTHSA-N 2 1 322.880 3.332 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000414703834 433802036 /nfs/dbraw/zinc/80/20/36/433802036.db2.gz YFGDWMQFHTWFHT-CHWSQXEVSA-N 2 1 323.278 3.195 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414710397 433804902 /nfs/dbraw/zinc/80/49/02/433804902.db2.gz QVIMTDQDNXCUHL-CPUCHLNUSA-N 2 1 308.853 3.181 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293639264 433811609 /nfs/dbraw/zinc/81/16/09/433811609.db2.gz MALMJSFGFSAOBV-GOSISDBHSA-N 2 1 300.446 3.214 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744616 433815544 /nfs/dbraw/zinc/81/55/44/433815544.db2.gz OPQOHWPHJTYNFE-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744616 433815555 /nfs/dbraw/zinc/81/55/55/433815555.db2.gz OPQOHWPHJTYNFE-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414746380 433817640 /nfs/dbraw/zinc/81/76/40/433817640.db2.gz ZFBLNZPSWUGAKF-KDURUIRLSA-N 2 1 322.452 3.322 20 0 DGADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414746380 433817647 /nfs/dbraw/zinc/81/76/47/433817647.db2.gz ZFBLNZPSWUGAKF-KDURUIRLSA-N 2 1 322.452 3.322 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)CCO)CC1 ZINC000284018835 433818270 /nfs/dbraw/zinc/81/82/70/433818270.db2.gz IQXSRFGXSGFPDM-UHFFFAOYSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1cc(NCCCN2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000302281379 433818514 /nfs/dbraw/zinc/81/85/14/433818514.db2.gz JEUXXMONHFGBPN-UHFFFAOYSA-N 2 1 324.472 3.010 20 0 DGADMP CC[C@@H](C)[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284263988 433873705 /nfs/dbraw/zinc/87/37/05/433873705.db2.gz WJZABSIJWUHCCA-SGZDXZSOSA-N 2 1 318.505 3.426 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000414848589 433876176 /nfs/dbraw/zinc/87/61/76/433876176.db2.gz PZWBEBYAIUEUFE-MNEFBYGVSA-N 2 1 303.494 3.130 20 0 DGADMP CCC[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284057508 433826773 /nfs/dbraw/zinc/82/67/73/433826773.db2.gz KOVBOKPZMRSPJF-ACBHZAAOSA-N 2 1 304.478 3.180 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414777328 433830377 /nfs/dbraw/zinc/83/03/77/433830377.db2.gz IBMNXOIPWMGXJX-HNNXBMFYSA-N 2 1 322.880 3.144 20 0 DGADMP Fc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414782449 433831398 /nfs/dbraw/zinc/83/13/98/433831398.db2.gz OOWQBDGOFSXOJO-KGLIPLIRSA-N 2 1 302.393 3.393 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980481 433833007 /nfs/dbraw/zinc/83/30/07/433833007.db2.gz CMZYPMORWFSLLA-UKRRQHHQSA-N 2 1 316.420 3.085 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980481 433833018 /nfs/dbraw/zinc/83/30/18/433833018.db2.gz CMZYPMORWFSLLA-UKRRQHHQSA-N 2 1 316.420 3.085 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000414794062 433839166 /nfs/dbraw/zinc/83/91/66/433839166.db2.gz LDOCUANTHLRDPF-LBPRGKRZSA-N 2 1 305.647 3.175 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000357038890 433841590 /nfs/dbraw/zinc/84/15/90/433841590.db2.gz AEPBFERKDZDDGX-ROUUACIJSA-N 2 1 323.440 3.224 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000357038890 433841597 /nfs/dbraw/zinc/84/15/97/433841597.db2.gz AEPBFERKDZDDGX-ROUUACIJSA-N 2 1 323.440 3.224 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OCCC(C)C ZINC000414798962 433842204 /nfs/dbraw/zinc/84/22/04/433842204.db2.gz QSUGMNYDUXEQQE-MRXNPFEDSA-N 2 1 308.466 3.193 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000414797282 433842767 /nfs/dbraw/zinc/84/27/67/433842767.db2.gz CNPKFXGWGFBGBJ-UHFFFAOYSA-N 2 1 318.440 3.235 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000284155808 433846286 /nfs/dbraw/zinc/84/62/86/433846286.db2.gz PNTUXYBPGDQCRA-CRAIPNDOSA-N 2 1 302.462 3.480 20 0 DGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357059348 433849528 /nfs/dbraw/zinc/84/95/28/433849528.db2.gz WYKLIYZLPXUJCS-AWEZNQCLSA-N 2 1 307.507 3.262 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000414810189 433855245 /nfs/dbraw/zinc/85/52/45/433855245.db2.gz HNFDEUUCZIBMKV-LBPRGKRZSA-N 2 1 315.255 3.065 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000293754398 433855757 /nfs/dbraw/zinc/85/57/57/433855757.db2.gz YKTUHIFZRMGPFN-WOJBJXKFSA-N 2 1 314.473 3.232 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCCCC1 ZINC000414846473 433878050 /nfs/dbraw/zinc/87/80/50/433878050.db2.gz SNSPTPXEGVBIOF-UHFFFAOYSA-N 2 1 320.387 3.106 20 0 DGADMP c1cc2c(o1)CCCN(CCC[N@H+]1CCCc3occc3C1)C2 ZINC000344239792 433856667 /nfs/dbraw/zinc/85/66/67/433856667.db2.gz RROIFDHDDDBIQK-UHFFFAOYSA-N 2 1 314.429 3.459 20 0 DGADMP CCC([NH3+])(CC)CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414815025 433857524 /nfs/dbraw/zinc/85/75/24/433857524.db2.gz WMOYSCYIWUOZNO-UHFFFAOYSA-N 2 1 305.510 3.252 20 0 DGADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000357081662 433858473 /nfs/dbraw/zinc/85/84/73/433858473.db2.gz WGDNTCJKDBUCFA-CQSZACIVSA-N 2 1 303.233 3.106 20 0 DGADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000357081662 433858480 /nfs/dbraw/zinc/85/84/80/433858480.db2.gz WGDNTCJKDBUCFA-CQSZACIVSA-N 2 1 303.233 3.106 20 0 DGADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357078197 433858700 /nfs/dbraw/zinc/85/87/00/433858700.db2.gz BTSLHBKPBBCESQ-GFCCVEGCSA-N 2 1 316.367 3.206 20 0 DGADMP Cc1cc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000414821278 433863605 /nfs/dbraw/zinc/86/36/05/433863605.db2.gz AUDFOROJMRRKIV-ZACCUICWSA-N 2 1 315.280 3.192 20 0 DGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000293798426 433871497 /nfs/dbraw/zinc/87/14/97/433871497.db2.gz UWCLXAMWXZUZJU-AEFFLSMTSA-N 2 1 304.478 3.159 20 0 DGADMP COc1cc(Cl)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414900720 433908595 /nfs/dbraw/zinc/90/85/95/433908595.db2.gz IODFZVYLACVLAN-HNNXBMFYSA-N 2 1 317.260 3.481 20 0 DGADMP C[N@@H+](C[C@H](O)CN(Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091672 433909268 /nfs/dbraw/zinc/90/92/68/433909268.db2.gz GWDNRICETFKHQE-KRWDZBQOSA-N 2 1 322.880 3.007 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000377544967 433911168 /nfs/dbraw/zinc/91/11/68/433911168.db2.gz WEFLAQHJIUFQNN-YJVWJLORSA-N 2 1 306.400 3.427 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436233852 433912253 /nfs/dbraw/zinc/91/22/53/433912253.db2.gz VARAZGSRUQCKTM-LBPRGKRZSA-N 2 1 315.446 3.069 20 0 DGADMP C[C@@]1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCC[NH2+]C1 ZINC000414917079 433915977 /nfs/dbraw/zinc/91/59/77/433915977.db2.gz QYFLGWPHMZGGEP-GOSISDBHSA-N 2 1 321.896 3.420 20 0 DGADMP COc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)sc2c1 ZINC000422561325 433919373 /nfs/dbraw/zinc/91/93/73/433919373.db2.gz KPWFMFXPFMYPAN-XQQFMLRXSA-N 2 1 319.474 3.110 20 0 DGADMP COc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)sc2c1 ZINC000422561325 433919384 /nfs/dbraw/zinc/91/93/84/433919384.db2.gz KPWFMFXPFMYPAN-XQQFMLRXSA-N 2 1 319.474 3.110 20 0 DGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414930777 433920904 /nfs/dbraw/zinc/92/09/04/433920904.db2.gz QMLVGZCJELCDEU-SFHVURJKSA-N 2 1 301.478 3.023 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422558489 433921125 /nfs/dbraw/zinc/92/11/25/433921125.db2.gz AVWJVKAADFVXTL-WWGRRREGSA-N 2 1 306.498 3.060 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2c1 ZINC000422564076 433923322 /nfs/dbraw/zinc/92/33/22/433923322.db2.gz VBFFIDMYHMKFMR-IPYPFGDCSA-N 2 1 302.418 3.247 20 0 DGADMP CC1([NH2+]Cc2cc(Br)c(Cl)s2)CC[NH2+]CC1 ZINC000414943302 433932106 /nfs/dbraw/zinc/93/21/06/433932106.db2.gz NQQBAWDXUDYWEQ-UHFFFAOYSA-N 2 1 323.687 3.396 20 0 DGADMP FC(F)(F)c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414841102 433879673 /nfs/dbraw/zinc/87/96/73/433879673.db2.gz YWSRPNJMFHNGHY-JTQLQIEISA-N 2 1 306.759 3.448 20 0 DGADMP COc1ccc(OCCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285382056 433934658 /nfs/dbraw/zinc/93/46/58/433934658.db2.gz CXAQMBDVKVCJEB-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP COc1ccc(OCCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285382056 433934667 /nfs/dbraw/zinc/93/46/67/433934667.db2.gz CXAQMBDVKVCJEB-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP COc1ccc(OCCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285382056 433934679 /nfs/dbraw/zinc/93/46/79/433934679.db2.gz CXAQMBDVKVCJEB-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854087 433882638 /nfs/dbraw/zinc/88/26/38/433882638.db2.gz UIGJFAXZSDWCEN-SUMWQHHRSA-N 2 1 321.440 3.040 20 0 DGADMP [NH3+]C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000414852303 433883073 /nfs/dbraw/zinc/88/30/73/433883073.db2.gz QTBMFSOBDACNHS-IBGZPJMESA-N 2 1 301.478 3.153 20 0 DGADMP C[C@H]([NH2+]Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414852491 433883472 /nfs/dbraw/zinc/88/34/72/433883472.db2.gz KAINGALEKOJDRI-WDEREUQCSA-N 2 1 315.230 3.066 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414861228 433891755 /nfs/dbraw/zinc/89/17/55/433891755.db2.gz WFPBOATZTMYDOM-GHMZBOCLSA-N 2 1 317.260 3.480 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)o2)cc1 ZINC000422634190 433934943 /nfs/dbraw/zinc/93/49/43/433934943.db2.gz JMAABBFKBZPGDG-UXLLHSPISA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)o2)cc1 ZINC000422634190 433934952 /nfs/dbraw/zinc/93/49/52/433934952.db2.gz JMAABBFKBZPGDG-UXLLHSPISA-N 2 1 313.445 3.455 20 0 DGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414861602 433892740 /nfs/dbraw/zinc/89/27/40/433892740.db2.gz SEOGPZNVFNZTKS-HUUCEWRRSA-N 2 1 315.383 3.272 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699826 433941839 /nfs/dbraw/zinc/94/18/39/433941839.db2.gz BGFXDGBFNGKLTC-IUODEOHRSA-N 2 1 300.368 3.226 20 0 DGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377649636 433942573 /nfs/dbraw/zinc/94/25/73/433942573.db2.gz IDRWIHNJQFULBH-AZUAARDMSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000422717752 433946014 /nfs/dbraw/zinc/94/60/14/433946014.db2.gz PBPVLISHJGOTDL-OKZBNKHCSA-N 2 1 312.461 3.043 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1OC ZINC000422725631 433949573 /nfs/dbraw/zinc/94/95/73/433949573.db2.gz YGIALBROWQQRRA-YESZJQIVSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000340164644 433951045 /nfs/dbraw/zinc/95/10/45/433951045.db2.gz HSMQKYGVVKZNDT-QFBILLFUSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414987210 433958918 /nfs/dbraw/zinc/95/89/18/433958918.db2.gz DJANLCUVZRYQRR-RBUKOAKNSA-N 3 1 317.521 3.252 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414987210 433958927 /nfs/dbraw/zinc/95/89/27/433958927.db2.gz DJANLCUVZRYQRR-RBUKOAKNSA-N 2 1 317.521 3.252 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000422737736 433960779 /nfs/dbraw/zinc/96/07/79/433960779.db2.gz HQSCVNWQROEILD-YZVOILCLSA-N 2 1 318.509 3.010 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422733053 433961369 /nfs/dbraw/zinc/96/13/69/433961369.db2.gz AQKXRLINKDKLIG-YDZRNGNQSA-N 2 1 307.526 3.151 20 0 DGADMP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422733053 433961377 /nfs/dbraw/zinc/96/13/77/433961377.db2.gz AQKXRLINKDKLIG-YDZRNGNQSA-N 2 1 307.526 3.151 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000415003613 433964101 /nfs/dbraw/zinc/96/41/01/433964101.db2.gz NJBKGCCWPBRSJQ-ZDUSSCGKSA-N 2 1 323.412 3.145 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000422740468 433967124 /nfs/dbraw/zinc/96/71/24/433967124.db2.gz BWHLOAGEDIDFPQ-ARFHVFGLSA-N 2 1 309.523 3.237 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000377730465 433973555 /nfs/dbraw/zinc/97/35/55/433973555.db2.gz YIRAPYVHAKNYGZ-INIZCTEOSA-N 2 1 300.446 3.027 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000377730465 433973561 /nfs/dbraw/zinc/97/35/61/433973561.db2.gz YIRAPYVHAKNYGZ-INIZCTEOSA-N 2 1 300.446 3.027 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000377730465 433973568 /nfs/dbraw/zinc/97/35/68/433973568.db2.gz YIRAPYVHAKNYGZ-INIZCTEOSA-N 2 1 300.446 3.027 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000377730465 433973575 /nfs/dbraw/zinc/97/35/75/433973575.db2.gz YIRAPYVHAKNYGZ-INIZCTEOSA-N 2 1 300.446 3.027 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000422752712 433975260 /nfs/dbraw/zinc/97/52/60/433975260.db2.gz FFGQWBCWLMAPQE-GJZGRUSLSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000422752712 433975267 /nfs/dbraw/zinc/97/52/67/433975267.db2.gz FFGQWBCWLMAPQE-GJZGRUSLSA-N 2 1 318.509 3.010 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422765638 433982703 /nfs/dbraw/zinc/98/27/03/433982703.db2.gz QNKBWVFIVFGQHU-MTHXSQLBSA-N 2 1 321.553 3.253 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340215170 433990773 /nfs/dbraw/zinc/99/07/73/433990773.db2.gz FKZOBLLFFAQCJN-HUUCEWRRSA-N 2 1 310.507 3.363 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340215170 433990780 /nfs/dbraw/zinc/99/07/80/433990780.db2.gz FKZOBLLFFAQCJN-HUUCEWRRSA-N 2 1 310.507 3.363 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422780010 433991634 /nfs/dbraw/zinc/99/16/34/433991634.db2.gz GNPPZGBPBYPPSF-RBUKOAKNSA-N 3 1 303.494 3.278 20 0 DGADMP C[NH+](C/C=C\C[N@@H+](C)CCC(F)(F)F)CCC(F)(F)F ZINC000340146951 433941431 /nfs/dbraw/zinc/94/14/31/433941431.db2.gz RLLSJKNOPFLKJN-ARJAWSKDSA-N 2 1 306.294 3.311 20 0 DGADMP C[C@H]([NH2+]CC1(c2ccccc2Br)CC1)[C@@H]1CCC[NH2+]1 ZINC000422788675 434003171 /nfs/dbraw/zinc/00/31/71/434003171.db2.gz SORPRKSTKLLNHJ-WFASDCNBSA-N 2 1 323.278 3.211 20 0 DGADMP CC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000357417457 434004212 /nfs/dbraw/zinc/00/42/12/434004212.db2.gz DYWGDTJHQOECJK-YESZJQIVSA-N 2 1 304.478 3.432 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2c[nH]c3ccccc23)s1 ZINC000352250172 434004708 /nfs/dbraw/zinc/00/47/08/434004708.db2.gz DBTKXOPYNZXYQV-UHFFFAOYSA-N 2 1 314.458 3.018 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000285583546 434005348 /nfs/dbraw/zinc/00/53/48/434005348.db2.gz IUAZXZZVRJKWCK-ZDUSSCGKSA-N 2 1 324.490 3.306 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C2CC2)c1 ZINC000340238908 434006544 /nfs/dbraw/zinc/00/65/44/434006544.db2.gz LLXIIKZESADUTI-OXJNMPFZSA-N 2 1 316.489 3.452 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340236824 434007188 /nfs/dbraw/zinc/00/71/88/434007188.db2.gz QUKXTNUHEGRDEM-UXHICEINSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340236824 434007193 /nfs/dbraw/zinc/00/71/93/434007193.db2.gz QUKXTNUHEGRDEM-UXHICEINSA-N 3 1 315.505 3.143 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340239415 434008376 /nfs/dbraw/zinc/00/83/76/434008376.db2.gz NNLYBCUDIBHNMM-MSOLQXFVSA-N 2 1 308.510 3.316 20 0 DGADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000304368322 434008442 /nfs/dbraw/zinc/00/84/42/434008442.db2.gz ZKGNEUDUXKQLBC-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422800856 434015092 /nfs/dbraw/zinc/01/50/92/434015092.db2.gz DDBDAKNZHJJWQL-CABCVRRESA-N 2 1 316.367 3.377 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422800560 434015342 /nfs/dbraw/zinc/01/53/42/434015342.db2.gz CFIRIUDCLPCBGF-GDBMZVCRSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(C)COC2)C1 ZINC000285620839 434015972 /nfs/dbraw/zinc/01/59/72/434015972.db2.gz ZIWSRDPSVLRIHD-MRXNPFEDSA-N 2 1 302.462 3.045 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422805076 434016101 /nfs/dbraw/zinc/01/61/01/434016101.db2.gz LPTREBYCQOAHLN-OKZBNKHCSA-N 2 1 318.461 3.104 20 0 DGADMP [NH3+][C@@H]1C[C@@H](NCCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422804303 434017677 /nfs/dbraw/zinc/01/76/77/434017677.db2.gz HHLBKMZRUFANAJ-NHCUHLMSSA-N 2 1 321.468 3.169 20 0 DGADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000304732755 434018968 /nfs/dbraw/zinc/01/89/68/434018968.db2.gz RMGGHQHQNXUXFH-IBGZPJMESA-N 2 1 304.478 3.210 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422807914 434019517 /nfs/dbraw/zinc/01/95/17/434019517.db2.gz KJPXLVXDQFUGEA-ZWNOBZJWSA-N 2 1 318.795 3.419 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCOCC1 ZINC000422808973 434020444 /nfs/dbraw/zinc/02/04/44/434020444.db2.gz LPLVNJRJOGETDQ-FHWLQOOXSA-N 2 1 302.462 3.275 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340257239 434021385 /nfs/dbraw/zinc/02/13/85/434021385.db2.gz TXTYTJSYVGLGPE-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340257239 434021393 /nfs/dbraw/zinc/02/13/93/434021393.db2.gz TXTYTJSYVGLGPE-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000422808027 434021344 /nfs/dbraw/zinc/02/13/44/434021344.db2.gz PTYCMADCJGOLFM-OAHLLOKOSA-N 2 1 318.509 3.154 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000422808027 434021351 /nfs/dbraw/zinc/02/13/51/434021351.db2.gz PTYCMADCJGOLFM-OAHLLOKOSA-N 3 1 318.509 3.154 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000422808027 434021358 /nfs/dbraw/zinc/02/13/58/434021358.db2.gz PTYCMADCJGOLFM-OAHLLOKOSA-N 3 1 318.509 3.154 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340257239 434021405 /nfs/dbraw/zinc/02/14/05/434021405.db2.gz TXTYTJSYVGLGPE-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@H]1c1ccccc1 ZINC000340268140 434026743 /nfs/dbraw/zinc/02/67/43/434026743.db2.gz VLHRCSIQKSOPEV-KNJMJIDISA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@H]1c1ccccc1 ZINC000340268140 434026750 /nfs/dbraw/zinc/02/67/50/434026750.db2.gz VLHRCSIQKSOPEV-KNJMJIDISA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H](CCN[C@H](C)c1c[nH+]ccc1N)[N@@H+](C)Cc1ccccc1 ZINC000422823603 434029557 /nfs/dbraw/zinc/02/95/57/434029557.db2.gz LWLDYSXYWPTQJN-HZPDHXFCSA-N 2 1 312.461 3.055 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1Br)[C@H]1CCCC[NH2+]1 ZINC000422824754 434031414 /nfs/dbraw/zinc/03/14/14/434031414.db2.gz IBKBUAQFLMRGMB-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377912835 434033980 /nfs/dbraw/zinc/03/39/80/434033980.db2.gz OSPVMTYXFJBJSD-ICSRJNTNSA-N 2 1 315.505 3.156 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422833429 434035745 /nfs/dbraw/zinc/03/57/45/434035745.db2.gz GVRGHXJOYDGXPF-HOTGVXAUSA-N 3 1 309.523 3.067 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422833429 434035753 /nfs/dbraw/zinc/03/57/53/434035753.db2.gz GVRGHXJOYDGXPF-HOTGVXAUSA-N 3 1 309.523 3.067 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C[C@@H]1c1ccccc1 ZINC000340287292 434038106 /nfs/dbraw/zinc/03/81/06/434038106.db2.gz ZIOQCASFGJTQBM-QZTJIDSGSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C[C@@H]1c1ccccc1 ZINC000340287292 434038117 /nfs/dbraw/zinc/03/81/17/434038117.db2.gz ZIOQCASFGJTQBM-QZTJIDSGSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3(C)COC3)cc2)C1 ZINC000285582007 434002050 /nfs/dbraw/zinc/00/20/50/434002050.db2.gz WZMNDAWAUHGKSP-INIZCTEOSA-N 2 1 302.462 3.045 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352245329 434002526 /nfs/dbraw/zinc/00/25/26/434002526.db2.gz GXDZBOPJYXUCQR-AWEZNQCLSA-N 2 1 303.475 3.316 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000422858502 434061601 /nfs/dbraw/zinc/06/16/01/434061601.db2.gz IVHUFUVIVOEMAC-MNOVXSKESA-N 2 1 303.269 3.260 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414791250 293891839 /nfs/dbraw/zinc/89/18/39/293891839.db2.gz BDAIJVHOJXLENZ-GJZGRUSLSA-N 2 1 301.459 3.417 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccsc1 ZINC000422861111 434062733 /nfs/dbraw/zinc/06/27/33/434062733.db2.gz MEXRXNOPPVHREG-IXDOHACOSA-N 2 1 309.523 3.381 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414971479 293898586 /nfs/dbraw/zinc/89/85/86/293898586.db2.gz LIXMCXCUIWMFOI-CYBMUJFWSA-N 2 1 304.331 3.322 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867930 434068035 /nfs/dbraw/zinc/06/80/35/434068035.db2.gz UEARNZUMRKQZPA-SUMWQHHRSA-N 2 1 318.490 3.289 20 0 DGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000450267651 434068776 /nfs/dbraw/zinc/06/87/76/434068776.db2.gz BNQAELXYADJVNF-PXNSSMCTSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422874076 434071433 /nfs/dbraw/zinc/07/14/33/434071433.db2.gz CDQUXWUWNSBJNC-DLBZAZTESA-N 3 1 303.494 3.136 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC2CCCC2)CC1 ZINC000357560640 434075535 /nfs/dbraw/zinc/07/55/35/434075535.db2.gz BHNITWYGPWRDAM-HDICACEKSA-N 2 1 307.526 3.057 20 0 DGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422862102 293913602 /nfs/dbraw/zinc/91/36/02/293913602.db2.gz JUZAOCVJBHEUHE-QZTJIDSGSA-N 2 1 320.477 3.160 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422878695 434076754 /nfs/dbraw/zinc/07/67/54/434076754.db2.gz JQRFKXSKHJMGDU-JKSUJKDBSA-N 3 1 318.509 3.154 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882937 434082140 /nfs/dbraw/zinc/08/21/40/434082140.db2.gz PPTOKNPDUBRFJK-FUHIMQAGSA-N 2 1 315.505 3.149 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2c[nH+]ccc2N)n1 ZINC000422883668 434083221 /nfs/dbraw/zinc/08/32/21/434083221.db2.gz CQMIAWKKTUMPIX-HNNXBMFYSA-N 2 1 321.428 3.148 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340357861 434083860 /nfs/dbraw/zinc/08/38/60/434083860.db2.gz LJYZKCQMLDESHB-FHWLQOOXSA-N 2 1 314.473 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340357861 434083869 /nfs/dbraw/zinc/08/38/69/434083869.db2.gz LJYZKCQMLDESHB-FHWLQOOXSA-N 2 1 314.473 3.228 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000422893400 434090356 /nfs/dbraw/zinc/09/03/56/434090356.db2.gz QJNFVFXRPQUELH-NSHDSACASA-N 2 1 304.463 3.279 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000340369629 434094445 /nfs/dbraw/zinc/09/44/45/434094445.db2.gz GSCNQANYYNTOQC-AZUAARDMSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000340369629 434094454 /nfs/dbraw/zinc/09/44/54/434094454.db2.gz GSCNQANYYNTOQC-AZUAARDMSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000340369629 434094458 /nfs/dbraw/zinc/09/44/58/434094458.db2.gz GSCNQANYYNTOQC-AZUAARDMSA-N 2 1 316.489 3.233 20 0 DGADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422898973 434096148 /nfs/dbraw/zinc/09/61/48/434096148.db2.gz GJMSVPSPOOVGBQ-UXHICEINSA-N 2 1 315.505 3.148 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C)Cc1ccccc1 ZINC000309569835 434096390 /nfs/dbraw/zinc/09/63/90/434096390.db2.gz JRQQKPKLDKBSQK-QGZVFWFLSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422903094 434096922 /nfs/dbraw/zinc/09/69/22/434096922.db2.gz OCCSACUWUBVZMO-MRXNPFEDSA-N 3 1 324.472 3.057 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422842436 434047501 /nfs/dbraw/zinc/04/75/01/434047501.db2.gz FWIOCYLJJCBGOL-CGTJXYLNSA-N 2 1 321.896 3.194 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000340307359 434048183 /nfs/dbraw/zinc/04/81/83/434048183.db2.gz WHWOSAUDASFVNZ-UCLAIMLFSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000340307359 434048194 /nfs/dbraw/zinc/04/81/94/434048194.db2.gz WHWOSAUDASFVNZ-UCLAIMLFSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000340307359 434048204 /nfs/dbraw/zinc/04/82/04/434048204.db2.gz WHWOSAUDASFVNZ-UCLAIMLFSA-N 2 1 312.461 3.074 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851391 434052468 /nfs/dbraw/zinc/05/24/68/434052468.db2.gz OVEJOXSOROMAPE-RDJZCZTQSA-N 2 1 315.486 3.145 20 0 DGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422850049 434052534 /nfs/dbraw/zinc/05/25/34/434052534.db2.gz CRLYDCMTDPALHA-MSOLQXFVSA-N 2 1 320.477 3.160 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852775 434055675 /nfs/dbraw/zinc/05/56/75/434055675.db2.gz BHHAEZAHFQKGBN-UWVAXJGDSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309837146 434104148 /nfs/dbraw/zinc/10/41/48/434104148.db2.gz IVHPXYMUHAQHKE-AZUAARDMSA-N 3 1 317.521 3.396 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422907226 434104203 /nfs/dbraw/zinc/10/42/03/434104203.db2.gz LDISJMKUSAFPLE-CABCVRRESA-N 2 1 304.482 3.045 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309936255 434104425 /nfs/dbraw/zinc/10/44/25/434104425.db2.gz YJLSGARYSOYKDU-IJXRJRJASA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422915812 434105576 /nfs/dbraw/zinc/10/55/76/434105576.db2.gz ZDQXLHGKBJPVFE-APWZRJJASA-N 3 1 303.494 3.005 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000422925990 434113474 /nfs/dbraw/zinc/11/34/74/434113474.db2.gz CEMIUZUEUUFVOR-FUHWJXTLSA-N 2 1 314.404 3.417 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422922747 434114475 /nfs/dbraw/zinc/11/44/75/434114475.db2.gz UGCDMNCOERKXOP-GXFFZTMASA-N 2 1 302.340 3.034 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000346096879 434116550 /nfs/dbraw/zinc/11/65/50/434116550.db2.gz RJWBLPPTXSNBKF-ZDUSSCGKSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000346096879 434116560 /nfs/dbraw/zinc/11/65/60/434116560.db2.gz RJWBLPPTXSNBKF-ZDUSSCGKSA-N 2 1 316.367 3.288 20 0 DGADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1Cl ZINC000422934576 434118661 /nfs/dbraw/zinc/11/86/61/434118661.db2.gz FZSNMIYNLNPAMK-SUMWQHHRSA-N 2 1 318.848 3.397 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422910135 434102065 /nfs/dbraw/zinc/10/20/65/434102065.db2.gz HHFKPEWGTVWDFZ-HIFRSBDPSA-N 2 1 307.507 3.321 20 0 DGADMP OC1(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309875703 434102120 /nfs/dbraw/zinc/10/21/20/434102120.db2.gz TVXCLHSRKMYNTC-LJQANCHMSA-N 2 1 316.489 3.183 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422936834 434125302 /nfs/dbraw/zinc/12/53/02/434125302.db2.gz CAVVIXIBECCTNZ-KFWWJZLASA-N 2 1 308.491 3.011 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422944439 434127758 /nfs/dbraw/zinc/12/77/58/434127758.db2.gz SBPXLETVFNEMNK-MNOVXSKESA-N 2 1 303.269 3.260 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000503916585 294204891 /nfs/dbraw/zinc/20/48/91/294204891.db2.gz MECNAAOTNLITON-QUCCMNQESA-N 2 1 312.432 3.433 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000507339684 294295005 /nfs/dbraw/zinc/29/50/05/294295005.db2.gz JLHMYIGPFBGZFE-UHFFFAOYSA-N 2 1 320.477 3.269 20 0 DGADMP C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1c[nH+]ccc1N ZINC000422956217 434139429 /nfs/dbraw/zinc/13/94/29/434139429.db2.gz OSKOYKVTHVWAPM-AWEZNQCLSA-N 2 1 322.412 3.162 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000340456732 434139588 /nfs/dbraw/zinc/13/95/88/434139588.db2.gz SGFBRAQSIUEGCV-AWEZNQCLSA-N 2 1 316.424 3.146 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCCC2)CC1 ZINC000340475105 434152040 /nfs/dbraw/zinc/15/20/40/434152040.db2.gz VROWNADDBSOLDF-UHFFFAOYSA-N 2 1 315.505 3.115 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccccc2Cl)c2ccccc21 ZINC000423002812 434163897 /nfs/dbraw/zinc/16/38/97/434163897.db2.gz JVSFJWYSNXDRIB-HZPDHXFCSA-N 2 1 302.805 3.453 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423024420 434173754 /nfs/dbraw/zinc/17/37/54/434173754.db2.gz JGCBFFZJPKKLEM-HOCLYGCPSA-N 2 1 316.445 3.305 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(-c2ccccc2)n1 ZINC000423028533 434173778 /nfs/dbraw/zinc/17/37/78/434173778.db2.gz GOVSHNHGRZKSQN-RTBURBONSA-N 2 1 318.424 3.322 20 0 DGADMP Clc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000423033840 434176709 /nfs/dbraw/zinc/17/67/09/434176709.db2.gz HFRBYOSKORWPLP-IXDOHACOSA-N 2 1 320.864 3.285 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423039180 434183795 /nfs/dbraw/zinc/18/37/95/434183795.db2.gz DVMHRXNTKZSDJG-QZTJIDSGSA-N 2 1 301.478 3.427 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)[C@@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340526396 434184993 /nfs/dbraw/zinc/18/49/93/434184993.db2.gz NSWQBBGARPYLQD-ZHALLVOQSA-N 2 1 304.478 3.444 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC[NH2+]2)cc1 ZINC000423045360 434185972 /nfs/dbraw/zinc/18/59/72/434185972.db2.gz CTSJMRLVHFQWOU-XWSJACJDSA-N 2 1 300.446 3.027 20 0 DGADMP COCC[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000340532298 434186956 /nfs/dbraw/zinc/18/69/56/434186956.db2.gz KGXXBFCXAULDID-UHFFFAOYSA-N 2 1 322.880 3.286 20 0 DGADMP COc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000295080219 434187558 /nfs/dbraw/zinc/18/75/58/434187558.db2.gz TVEKAVMRFWXKFM-XJKCOSOUSA-N 2 1 310.869 3.209 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423076861 434206155 /nfs/dbraw/zinc/20/61/55/434206155.db2.gz RZJPPCYXGHOLRV-RDJZCZTQSA-N 2 1 301.478 3.361 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000437086629 434211403 /nfs/dbraw/zinc/21/14/03/434211403.db2.gz LCNKXBDEYBEKPY-NUJGCVRESA-N 2 1 303.494 3.350 20 0 DGADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423090501 434211524 /nfs/dbraw/zinc/21/15/24/434211524.db2.gz XVCPNMNZNUPYQU-MLHJIOFPSA-N 3 1 307.526 3.007 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423090501 434211532 /nfs/dbraw/zinc/21/15/32/434211532.db2.gz XVCPNMNZNUPYQU-MLHJIOFPSA-N 3 1 307.526 3.007 20 0 DGADMP COCCC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000423097105 434212531 /nfs/dbraw/zinc/21/25/31/434212531.db2.gz AIJKHPMBCHDZGZ-LESCRADOSA-N 2 1 324.896 3.438 20 0 DGADMP C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092453 434213621 /nfs/dbraw/zinc/21/36/21/434213621.db2.gz BXYHTGPZTWDCAY-YSTOQKLRSA-N 2 1 319.537 3.294 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423104201 434219293 /nfs/dbraw/zinc/21/92/93/434219293.db2.gz GVKANIZQSAQEFS-GXTWGEPZSA-N 2 1 300.368 3.267 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499355 434166362 /nfs/dbraw/zinc/16/63/62/434166362.db2.gz NAZMDJJXIVZTQX-DOTOQJQBSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499355 434166374 /nfs/dbraw/zinc/16/63/74/434166374.db2.gz NAZMDJJXIVZTQX-DOTOQJQBSA-N 2 1 313.420 3.393 20 0 DGADMP CCCCn1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(C)n1 ZINC000423015015 434166532 /nfs/dbraw/zinc/16/65/32/434166532.db2.gz JWGQBIRHFWEVRS-QAPCUYQASA-N 2 1 306.498 3.392 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000353582682 434248106 /nfs/dbraw/zinc/24/81/06/434248106.db2.gz SUUGTADBSFTLSP-ZHALLVOQSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353582682 434248115 /nfs/dbraw/zinc/24/81/15/434248115.db2.gz SUUGTADBSFTLSP-ZHALLVOQSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353582682 434248121 /nfs/dbraw/zinc/24/81/21/434248121.db2.gz SUUGTADBSFTLSP-ZHALLVOQSA-N 2 1 303.494 3.140 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423152821 434251458 /nfs/dbraw/zinc/25/14/58/434251458.db2.gz MNCCVEVKLKVZDX-RBUKOAKNSA-N 3 1 315.505 3.291 20 0 DGADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423152821 434251467 /nfs/dbraw/zinc/25/14/67/434251467.db2.gz MNCCVEVKLKVZDX-RBUKOAKNSA-N 3 1 315.505 3.291 20 0 DGADMP C[C@H]([C@H]1CCC[NH2+]1)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423163422 434259280 /nfs/dbraw/zinc/25/92/80/434259280.db2.gz RDTAEGLAKKZYND-FZKQIMNGSA-N 2 1 308.416 3.360 20 0 DGADMP COC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159883 434259391 /nfs/dbraw/zinc/25/93/91/434259391.db2.gz YPVJYCDBGBZXRW-YSVLISHTSA-N 2 1 310.869 3.190 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000423167249 434260076 /nfs/dbraw/zinc/26/00/76/434260076.db2.gz DXGQZSFYGFMIEI-RKDXNWHRSA-N 2 1 305.647 3.318 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379652678 434261257 /nfs/dbraw/zinc/26/12/57/434261257.db2.gz XRHDEUHESJFURQ-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379652678 434261267 /nfs/dbraw/zinc/26/12/67/434261267.db2.gz XRHDEUHESJFURQ-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643881 434261544 /nfs/dbraw/zinc/26/15/44/434261544.db2.gz BNQXXKRUHCWPQL-JFIYKMOQSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643881 434261552 /nfs/dbraw/zinc/26/15/52/434261552.db2.gz BNQXXKRUHCWPQL-JFIYKMOQSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000357959567 434266302 /nfs/dbraw/zinc/26/63/02/434266302.db2.gz KRQMWTXCRVAUHM-BETUJISGSA-N 2 1 323.868 3.213 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357959567 434266320 /nfs/dbraw/zinc/26/63/20/434266320.db2.gz KRQMWTXCRVAUHM-BETUJISGSA-N 2 1 323.868 3.213 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423185354 434271486 /nfs/dbraw/zinc/27/14/86/434271486.db2.gz VIQKDXWJPKFJHX-INIZCTEOSA-N 2 1 312.461 3.244 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2Cl)c2ccccc21 ZINC000423118640 434229690 /nfs/dbraw/zinc/22/96/90/434229690.db2.gz BPEAMHQHOIITMW-PJSAGSTRSA-N 2 1 316.832 3.150 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000353563596 434229755 /nfs/dbraw/zinc/22/97/55/434229755.db2.gz FQMQDPGVMQFLPI-QAPCUYQASA-N 2 1 310.457 3.092 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000353563596 434229766 /nfs/dbraw/zinc/22/97/66/434229766.db2.gz FQMQDPGVMQFLPI-QAPCUYQASA-N 2 1 310.457 3.092 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1F ZINC000423117168 434229922 /nfs/dbraw/zinc/22/99/22/434229922.db2.gz UCLSAHPHTRPMPS-MMTVNHQJSA-N 2 1 306.425 3.201 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000353573013 434238502 /nfs/dbraw/zinc/23/85/02/434238502.db2.gz GWSRAOGJGAPHPS-GGPKGHCWSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353573013 434238512 /nfs/dbraw/zinc/23/85/12/434238512.db2.gz GWSRAOGJGAPHPS-GGPKGHCWSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353573013 434238520 /nfs/dbraw/zinc/23/85/20/434238520.db2.gz GWSRAOGJGAPHPS-GGPKGHCWSA-N 2 1 317.521 3.358 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000358011215 434288208 /nfs/dbraw/zinc/28/82/08/434288208.db2.gz YSMUUAUSSUZNJH-YCPHGPKFSA-N 2 1 306.450 3.227 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000358011215 434288215 /nfs/dbraw/zinc/28/82/15/434288215.db2.gz YSMUUAUSSUZNJH-YCPHGPKFSA-N 2 1 306.450 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384956443 434294398 /nfs/dbraw/zinc/29/43/98/434294398.db2.gz RVNPGRMAUJCTHB-BWPNAZKDSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000423257887 434317264 /nfs/dbraw/zinc/31/72/64/434317264.db2.gz ANFYWOXLAZJIPT-IIAWOOMASA-N 2 1 308.466 3.159 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000423257888 434317931 /nfs/dbraw/zinc/31/79/31/434317931.db2.gz ANFYWOXLAZJIPT-IJEWVQPXSA-N 2 1 308.466 3.159 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423259154 434319040 /nfs/dbraw/zinc/31/90/40/434319040.db2.gz DCJYLXFUTSHPNR-AHRSYUTCSA-N 2 1 315.505 3.004 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287293788 434323189 /nfs/dbraw/zinc/32/31/89/434323189.db2.gz KFZLSDXZAIDMPM-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000287293788 434323198 /nfs/dbraw/zinc/32/31/98/434323198.db2.gz KFZLSDXZAIDMPM-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423269369 434329705 /nfs/dbraw/zinc/32/97/05/434329705.db2.gz FPXVHJWQKMMYJH-IMSIIYSGSA-N 2 1 317.260 3.476 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C)O1 ZINC000390711682 434368265 /nfs/dbraw/zinc/36/82/65/434368265.db2.gz WXSHQPNQHLMBHW-NEPXVJNWSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C)O1 ZINC000390711682 434368271 /nfs/dbraw/zinc/36/82/71/434368271.db2.gz WXSHQPNQHLMBHW-NEPXVJNWSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000390742229 434368448 /nfs/dbraw/zinc/36/84/48/434368448.db2.gz CUHQJNCIOHQMCG-IHPCNDPISA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000423342016 434370791 /nfs/dbraw/zinc/37/07/91/434370791.db2.gz USPDFJKVGOTGHG-JVPBZIDWSA-N 2 1 302.462 3.309 20 0 DGADMP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390885556 434374555 /nfs/dbraw/zinc/37/45/55/434374555.db2.gz BOVAOOAEFFOQIG-MSOLQXFVSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390885556 434374568 /nfs/dbraw/zinc/37/45/68/434374568.db2.gz BOVAOOAEFFOQIG-MSOLQXFVSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423369872 434387173 /nfs/dbraw/zinc/38/71/73/434387173.db2.gz CHLNFZOCLLHVCN-IHJVYAAUSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423288349 434344396 /nfs/dbraw/zinc/34/43/96/434344396.db2.gz RUBMKDACVHSTEY-ZFWWWQNUSA-N 2 1 324.440 3.162 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423288621 434346592 /nfs/dbraw/zinc/34/65/92/434346592.db2.gz TZJVYYOLRJYFGB-GFCCVEGCSA-N 2 1 303.450 3.084 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423302275 434350751 /nfs/dbraw/zinc/35/07/51/434350751.db2.gz VGHWCFSQVYCSJU-WMLDXEAASA-N 2 1 320.481 3.385 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(Br)c1 ZINC000423325124 434357414 /nfs/dbraw/zinc/35/74/14/434357414.db2.gz KWLVGDWXGNPRQP-SECBINFHSA-N 2 1 301.203 3.120 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000423324857 434358531 /nfs/dbraw/zinc/35/85/31/434358531.db2.gz IJIDISMNUGRLFE-KBXCAEBGSA-N 2 1 315.461 3.127 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423317144 434358980 /nfs/dbraw/zinc/35/89/80/434358980.db2.gz CIXJHHMQGUIFLP-AWEZNQCLSA-N 2 1 318.465 3.092 20 0 DGADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000423321389 434359059 /nfs/dbraw/zinc/35/90/59/434359059.db2.gz HMZZWMCHBNOQRG-CYBMUJFWSA-N 2 1 309.251 3.216 20 0 DGADMP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000390561198 434359492 /nfs/dbraw/zinc/35/94/92/434359492.db2.gz MATRJTGQDJJWPW-XPGWFJOJSA-N 2 1 309.457 3.241 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC000353749529 434393788 /nfs/dbraw/zinc/39/37/88/434393788.db2.gz LPLVRKSNTMSLAV-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC000353749529 434393795 /nfs/dbraw/zinc/39/37/95/434393795.db2.gz LPLVRKSNTMSLAV-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC000353749529 434393805 /nfs/dbraw/zinc/39/38/05/434393805.db2.gz LPLVRKSNTMSLAV-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000395121354 434408999 /nfs/dbraw/zinc/40/89/99/434408999.db2.gz KPPVFFNYKABIAX-OAHLLOKOSA-N 2 1 311.267 3.331 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395141101 434415971 /nfs/dbraw/zinc/41/59/71/434415971.db2.gz HKYXVCPMKUNVJP-IHPCNDPISA-N 2 1 315.505 3.019 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000348632461 434420213 /nfs/dbraw/zinc/42/02/13/434420213.db2.gz HVLQWNVYQWHSGA-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000348632461 434420219 /nfs/dbraw/zinc/42/02/19/434420219.db2.gz HVLQWNVYQWHSGA-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000348632461 434420226 /nfs/dbraw/zinc/42/02/26/434420226.db2.gz HVLQWNVYQWHSGA-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccc(F)cc2)s1 ZINC000423442144 434423207 /nfs/dbraw/zinc/42/32/07/434423207.db2.gz VANIVXNWRMCSTA-IHQJAULKSA-N 2 1 302.418 3.423 20 0 DGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OCc2ccccc2)c1 ZINC000423447208 434427638 /nfs/dbraw/zinc/42/76/38/434427638.db2.gz ZQCCTXWTRRBZGT-FCDRMGDPSA-N 2 1 308.425 3.134 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423464205 434435095 /nfs/dbraw/zinc/43/50/95/434435095.db2.gz LYBPCAZKSIBKBK-CWRNSKLLSA-N 2 1 324.440 3.162 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccn1 ZINC000423463942 434437733 /nfs/dbraw/zinc/43/77/33/434437733.db2.gz GCJQNPDWFBREGB-QILLFSRXSA-N 2 1 313.420 3.265 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450851469 434440990 /nfs/dbraw/zinc/44/09/90/434440990.db2.gz BNKDSGOSOYSIDY-GOSISDBHSA-N 2 1 320.525 3.420 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)C[C@H]1CCCC[N@H+]1C(C)C ZINC000450851469 434441002 /nfs/dbraw/zinc/44/10/02/434441002.db2.gz BNKDSGOSOYSIDY-GOSISDBHSA-N 2 1 320.525 3.420 20 0 DGADMP Cn1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CCCCC2)n1 ZINC000359998769 434469438 /nfs/dbraw/zinc/46/94/38/434469438.db2.gz XMKUXLQGUMGIOX-MSOLQXFVSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C2CCCCC2)n1 ZINC000359998769 434469447 /nfs/dbraw/zinc/46/94/47/434469447.db2.gz XMKUXLQGUMGIOX-MSOLQXFVSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CCCCC2)n1 ZINC000359998769 434469456 /nfs/dbraw/zinc/46/94/56/434469456.db2.gz XMKUXLQGUMGIOX-MSOLQXFVSA-N 2 1 316.493 3.184 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000423515457 434469890 /nfs/dbraw/zinc/46/98/90/434469890.db2.gz NHBKRKZWEANJQK-JXFKEZNVSA-N 2 1 310.441 3.383 20 0 DGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000423533257 434481926 /nfs/dbraw/zinc/48/19/26/434481926.db2.gz STKGYVYQQBUXDJ-ZIBCJSCZSA-N 2 1 321.468 3.453 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(F)(F)F)cc1 ZINC000401648374 434498832 /nfs/dbraw/zinc/49/88/32/434498832.db2.gz NGLGVRQBASMWKI-LLVKDONJSA-N 2 1 313.323 3.212 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000401678222 434500523 /nfs/dbraw/zinc/50/05/23/434500523.db2.gz PSKOWEDMMXGITO-LJQANCHMSA-N 2 1 309.388 3.481 20 0 DGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423487565 434450783 /nfs/dbraw/zinc/45/07/83/434450783.db2.gz CSCGARGICMZPLM-PKOBYXMFSA-N 2 1 302.462 3.156 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488694 434451243 /nfs/dbraw/zinc/45/12/43/434451243.db2.gz VNKHPFCDFWUZIF-RLLQIKCJSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488694 434451251 /nfs/dbraw/zinc/45/12/51/434451251.db2.gz VNKHPFCDFWUZIF-RLLQIKCJSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@H]1CC[NH3+] ZINC000404351049 434512636 /nfs/dbraw/zinc/51/26/36/434512636.db2.gz JHFFONUBLULZMT-BBRMVZONSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@H]1CC[NH3+] ZINC000404351049 434512644 /nfs/dbraw/zinc/51/26/44/434512644.db2.gz JHFFONUBLULZMT-BBRMVZONSA-N 2 1 317.408 3.430 20 0 DGADMP CC[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000423702809 434514081 /nfs/dbraw/zinc/51/40/81/434514081.db2.gz YWPSIXKTVJIBHY-LJQANCHMSA-N 2 1 323.440 3.139 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000438642830 434523214 /nfs/dbraw/zinc/52/32/14/434523214.db2.gz REXPNEYTLSWGEW-KRWDZBQOSA-N 2 1 308.510 3.268 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348870820 434536404 /nfs/dbraw/zinc/53/64/04/434536404.db2.gz USMMWPWBONBBNY-JWTNVVGKSA-N 2 1 302.462 3.315 20 0 DGADMP CCc1cc(OC)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348870820 434536410 /nfs/dbraw/zinc/53/64/10/434536410.db2.gz USMMWPWBONBBNY-JWTNVVGKSA-N 2 1 302.462 3.315 20 0 DGADMP CCc1cc(OC)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348870820 434536414 /nfs/dbraw/zinc/53/64/14/434536414.db2.gz USMMWPWBONBBNY-JWTNVVGKSA-N 2 1 302.462 3.315 20 0 DGADMP CC(C)(C[NH2+]Cc1cnc2ccc(Cl)cn12)C[NH+]1CCCC1 ZINC000360164467 434539276 /nfs/dbraw/zinc/53/92/76/434539276.db2.gz HVVQRFVKCDUOKM-UHFFFAOYSA-N 2 1 320.868 3.199 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353987473 434558962 /nfs/dbraw/zinc/55/89/62/434558962.db2.gz OZVZVXPKUKOJCJ-GPANFISMSA-N 2 1 320.481 3.122 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353987473 434558966 /nfs/dbraw/zinc/55/89/66/434558966.db2.gz OZVZVXPKUKOJCJ-GPANFISMSA-N 2 1 320.481 3.122 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459347746 434567109 /nfs/dbraw/zinc/56/71/09/434567109.db2.gz CZLLOYPMFFYLQO-MRXNPFEDSA-N 2 1 300.437 3.476 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459347746 434567111 /nfs/dbraw/zinc/56/71/11/434567111.db2.gz CZLLOYPMFFYLQO-MRXNPFEDSA-N 2 1 300.437 3.476 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459347746 434567118 /nfs/dbraw/zinc/56/71/18/434567118.db2.gz CZLLOYPMFFYLQO-MRXNPFEDSA-N 2 1 300.437 3.476 20 0 DGADMP CC(C)OC1CC([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000459370866 434570596 /nfs/dbraw/zinc/57/05/96/434570596.db2.gz XQMQGPWNBDHWAS-XEVCZEQESA-N 2 1 316.489 3.396 20 0 DGADMP CC(C)OC1CC([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459370866 434570601 /nfs/dbraw/zinc/57/06/01/434570601.db2.gz XQMQGPWNBDHWAS-XEVCZEQESA-N 2 1 316.489 3.396 20 0 DGADMP CC(C)OC1CC([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000459370866 434570609 /nfs/dbraw/zinc/57/06/09/434570609.db2.gz XQMQGPWNBDHWAS-XEVCZEQESA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC12CC2 ZINC000527853722 295140813 /nfs/dbraw/zinc/14/08/13/295140813.db2.gz QQKFTRIVMWZRAP-MDZRGWNJSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC12CC2 ZINC000527853722 295140815 /nfs/dbraw/zinc/14/08/15/295140815.db2.gz QQKFTRIVMWZRAP-MDZRGWNJSA-N 2 1 314.473 3.186 20 0 DGADMP CC(C)c1cccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000527891542 295146011 /nfs/dbraw/zinc/14/60/11/295146011.db2.gz BIPMYDUJZZUJHT-QGZVFWFLSA-N 2 1 317.521 3.487 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C2CC2)cc1 ZINC000459368002 434568509 /nfs/dbraw/zinc/56/85/09/434568509.db2.gz VXKHYYOQOLMYLF-AQNXPRMDSA-N 2 1 314.473 3.248 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000527992485 295161535 /nfs/dbraw/zinc/16/15/35/295161535.db2.gz NSGCZGLNJVVTRM-QGZVFWFLSA-N 2 1 308.853 3.028 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)cn1 ZINC000528043641 295170808 /nfs/dbraw/zinc/17/08/08/295170808.db2.gz OTKQWMYPCUIOQR-IBGZPJMESA-N 2 1 315.461 3.005 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]2CNc2[nH+]ccc3[nH]ccc32)cc1 ZINC000528140459 295179880 /nfs/dbraw/zinc/17/98/80/295179880.db2.gz PXHPANRQSUOTEQ-HNNXBMFYSA-N 2 1 322.412 3.258 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528393141 295207416 /nfs/dbraw/zinc/20/74/16/295207416.db2.gz IUVKDKRLTWTLDP-IEBWSBKVSA-N 2 1 322.468 3.047 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000528414040 295210649 /nfs/dbraw/zinc/21/06/49/295210649.db2.gz ASLSNYBKOXJCJB-FHLIZLRMSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000528414040 295210650 /nfs/dbraw/zinc/21/06/50/295210650.db2.gz ASLSNYBKOXJCJB-FHLIZLRMSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000528414040 295210652 /nfs/dbraw/zinc/21/06/52/295210652.db2.gz ASLSNYBKOXJCJB-FHLIZLRMSA-N 2 1 308.441 3.175 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCCS2 ZINC000425946631 295271894 /nfs/dbraw/zinc/27/18/94/295271894.db2.gz WWHWYTIMDKAIBY-BBRMVZONSA-N 2 1 308.491 3.410 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459432654 434585233 /nfs/dbraw/zinc/58/52/33/434585233.db2.gz SKVFZLCGVVOXIJ-QZTJIDSGSA-N 2 1 316.493 3.344 20 0 DGADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1OC(C)C ZINC000093089134 295294447 /nfs/dbraw/zinc/29/44/47/295294447.db2.gz WYBFYLRSQPOJCO-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414744327 295319400 /nfs/dbraw/zinc/31/94/00/295319400.db2.gz PKCIGNVKLPANTE-GGXPGOJBSA-N 2 1 302.462 3.466 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414744324 295319413 /nfs/dbraw/zinc/31/94/13/295319413.db2.gz PKCIGNVKLPANTE-FPXQBCRKSA-N 2 1 302.462 3.466 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000455662351 295391222 /nfs/dbraw/zinc/39/12/22/295391222.db2.gz QSJOIFPXNSQAFN-YJBOKZPZSA-N 2 1 302.462 3.468 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000360589436 434642587 /nfs/dbraw/zinc/64/25/87/434642587.db2.gz RCDVMQCNBGGTBS-KXBFYZLASA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000360589436 434642596 /nfs/dbraw/zinc/64/25/96/434642596.db2.gz RCDVMQCNBGGTBS-KXBFYZLASA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000360589435 434643450 /nfs/dbraw/zinc/64/34/50/434643450.db2.gz RCDVMQCNBGGTBS-HNAYVOBHSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000360589435 434643456 /nfs/dbraw/zinc/64/34/56/434643456.db2.gz RCDVMQCNBGGTBS-HNAYVOBHSA-N 2 1 302.462 3.186 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000354078179 434604359 /nfs/dbraw/zinc/60/43/59/434604359.db2.gz OHEBNWQSLGLHLG-QGZVFWFLSA-N 2 1 310.869 3.273 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000354077683 434605704 /nfs/dbraw/zinc/60/57/04/434605704.db2.gz GSSQSFXJXLYWBY-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3ncccc3c2)C1 ZINC000354085592 434611403 /nfs/dbraw/zinc/61/14/03/434611403.db2.gz XDQJUXWRFWXBCL-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3CCCC3)CC2)CC1 ZINC000371154007 434646499 /nfs/dbraw/zinc/64/64/99/434646499.db2.gz CUCMHMKNJGZPOV-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCCC1 ZINC000371154007 434646505 /nfs/dbraw/zinc/64/65/05/434646505.db2.gz CUCMHMKNJGZPOV-UHFFFAOYSA-N 3 1 321.553 3.305 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCCC1 ZINC000371154007 434646512 /nfs/dbraw/zinc/64/65/12/434646512.db2.gz CUCMHMKNJGZPOV-UHFFFAOYSA-N 3 1 321.553 3.305 20 0 DGADMP C[C@H]([NH2+]CCCc1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000360619235 434649006 /nfs/dbraw/zinc/64/90/06/434649006.db2.gz LEOARMJMUUAJAY-FUHWJXTLSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166757 434649392 /nfs/dbraw/zinc/64/93/92/434649392.db2.gz MHXVRYXHWLVXKK-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166757 434649406 /nfs/dbraw/zinc/64/94/06/434649406.db2.gz MHXVRYXHWLVXKK-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166757 434649414 /nfs/dbraw/zinc/64/94/14/434649414.db2.gz MHXVRYXHWLVXKK-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166757 434649420 /nfs/dbraw/zinc/64/94/20/434649420.db2.gz MHXVRYXHWLVXKK-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349310675 434669165 /nfs/dbraw/zinc/66/91/65/434669165.db2.gz BKIBXRXPTLXBDY-UHFFFAOYSA-N 2 1 323.912 3.026 20 0 DGADMP Cc1ccc(CCC[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000354212076 434672001 /nfs/dbraw/zinc/67/20/01/434672001.db2.gz OYMSJBUMUSPEFS-INIZCTEOSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccc(CCC[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)cn1 ZINC000354212076 434672009 /nfs/dbraw/zinc/67/20/09/434672009.db2.gz OYMSJBUMUSPEFS-INIZCTEOSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459723738 434676636 /nfs/dbraw/zinc/67/66/36/434676636.db2.gz CSEUAVODJHHKRP-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424285028 434678578 /nfs/dbraw/zinc/67/85/78/434678578.db2.gz DXAFZCRUMMBANK-GFCCVEGCSA-N 2 1 313.367 3.064 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000459727848 434678686 /nfs/dbraw/zinc/67/86/86/434678686.db2.gz HOPFITAXMDPJKR-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289013 434680244 /nfs/dbraw/zinc/68/02/44/434680244.db2.gz LFSCUUURCIEOGQ-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)cc3cccnc31)CC[NH2+]CC2 ZINC000424289655 434680676 /nfs/dbraw/zinc/68/06/76/434680676.db2.gz MGDPPARIDBZZHP-AWEZNQCLSA-N 2 1 313.420 3.338 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459731981 434684987 /nfs/dbraw/zinc/68/49/87/434684987.db2.gz LQOBXTBFYVAAFF-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424301597 434685416 /nfs/dbraw/zinc/68/54/16/434685416.db2.gz XTDHOYPMYUVUTQ-MRXNPFEDSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCCOCCc1ccccc1)CC[NH2+]CC2 ZINC000424301931 434686178 /nfs/dbraw/zinc/68/61/78/434686178.db2.gz YISHUFKUHDTKJM-GOSISDBHSA-N 2 1 316.489 3.100 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000371753445 434746467 /nfs/dbraw/zinc/74/64/67/434746467.db2.gz PBILVBYTDNRTBS-LJQANCHMSA-N 2 1 323.444 3.084 20 0 DGADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OCC1CCC1 ZINC000419201769 434747991 /nfs/dbraw/zinc/74/79/91/434747991.db2.gz GJHMUENVUIXMKZ-LJQANCHMSA-N 2 1 308.510 3.391 20 0 DGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OCC1CCC1 ZINC000419201769 434747997 /nfs/dbraw/zinc/74/79/97/434747997.db2.gz GJHMUENVUIXMKZ-LJQANCHMSA-N 2 1 308.510 3.391 20 0 DGADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OCC1CCC1 ZINC000419201768 434749127 /nfs/dbraw/zinc/74/91/27/434749127.db2.gz GJHMUENVUIXMKZ-IBGZPJMESA-N 2 1 308.510 3.391 20 0 DGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OCC1CCC1 ZINC000419201768 434749134 /nfs/dbraw/zinc/74/91/34/434749134.db2.gz GJHMUENVUIXMKZ-IBGZPJMESA-N 2 1 308.510 3.391 20 0 DGADMP OCC[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411227388 434749302 /nfs/dbraw/zinc/74/93/02/434749302.db2.gz QKVICEOAFCLWCT-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])s2)cc1 ZINC000424374901 434713886 /nfs/dbraw/zinc/71/38/86/434713886.db2.gz ZTDIETLYCOQIMY-HZPDHXFCSA-N 2 1 301.459 3.478 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(C(F)(F)F)s1)CC[NH2+]CC2 ZINC000424374289 434714560 /nfs/dbraw/zinc/71/45/60/434714560.db2.gz ICDXBZZZIJTSGB-SNVBAGLBSA-N 2 1 319.396 3.126 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424379336 434714661 /nfs/dbraw/zinc/71/46/61/434714661.db2.gz VJUFSZMRNCPKQG-USYVTKNRSA-N 3 1 313.489 3.042 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459783499 434718461 /nfs/dbraw/zinc/71/84/61/434718461.db2.gz NICJMUZILODVMA-DNVCBOLYSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2sccc2Br)C1 ZINC000459789203 434721381 /nfs/dbraw/zinc/72/13/81/434721381.db2.gz QJTJZHUKUQOJMJ-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000411193692 434742670 /nfs/dbraw/zinc/74/26/70/434742670.db2.gz STJUHJJLKXQQSO-VQTJNVASSA-N 2 1 314.473 3.426 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000411193692 434742678 /nfs/dbraw/zinc/74/26/78/434742678.db2.gz STJUHJJLKXQQSO-VQTJNVASSA-N 2 1 314.473 3.426 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419332331 434772626 /nfs/dbraw/zinc/77/26/26/434772626.db2.gz RBDWRWNBVSSKLM-IEBWSBKVSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419332331 434772631 /nfs/dbraw/zinc/77/26/31/434772631.db2.gz RBDWRWNBVSSKLM-IEBWSBKVSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419332331 434772635 /nfs/dbraw/zinc/77/26/35/434772635.db2.gz RBDWRWNBVSSKLM-IEBWSBKVSA-N 2 1 302.462 3.404 20 0 DGADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)[C@H](C)C1 ZINC000442892385 434773386 /nfs/dbraw/zinc/77/33/86/434773386.db2.gz UWGMUDLVGUDIRK-MOPGFXCFSA-N 2 1 321.553 3.353 20 0 DGADMP c1cc(C[N@@H+]2CCOCC23CCC3)ccc1C[NH+]1CCCCC1 ZINC000411393112 434774456 /nfs/dbraw/zinc/77/44/56/434774456.db2.gz AFTLSCMBQABGLF-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP c1cc(C[N@H+]2CCOCC23CCC3)ccc1C[NH+]1CCCCC1 ZINC000411393112 434774460 /nfs/dbraw/zinc/77/44/60/434774460.db2.gz AFTLSCMBQABGLF-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453054141 434784505 /nfs/dbraw/zinc/78/45/05/434784505.db2.gz AGZDBOKTDIKGRO-SLFFLAALSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000453171499 434822990 /nfs/dbraw/zinc/82/29/90/434822990.db2.gz LZVLCGUSGKQKLV-SOLBZPMBSA-N 2 1 312.461 3.361 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1(CO)CCC1 ZINC000411757743 434827579 /nfs/dbraw/zinc/82/75/79/434827579.db2.gz LSDMCJHPTNVZSA-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000361190790 434827606 /nfs/dbraw/zinc/82/76/06/434827606.db2.gz QBKYXPIFAKCPEH-CQDKDKBSSA-N 2 1 310.388 3.108 20 0 DGADMP O[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411773574 434828283 /nfs/dbraw/zinc/82/82/83/434828283.db2.gz TUSUDTSZGASNKE-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)CO ZINC000411775506 434828462 /nfs/dbraw/zinc/82/84/62/434828462.db2.gz RXBKLBPVOKZFFW-UHFFFAOYSA-N 2 1 304.478 3.123 20 0 DGADMP C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411793271 434830464 /nfs/dbraw/zinc/83/04/64/434830464.db2.gz ILLCEEBVURHDIS-APWZRJJASA-N 2 1 302.462 3.018 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1SC ZINC000372560305 434839507 /nfs/dbraw/zinc/83/95/07/434839507.db2.gz RRZHWPOSFNFPSL-LSDHHAIUSA-N 2 1 306.475 3.134 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1SC ZINC000372560305 434839511 /nfs/dbraw/zinc/83/95/11/434839511.db2.gz RRZHWPOSFNFPSL-LSDHHAIUSA-N 2 1 306.475 3.134 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250096 434884292 /nfs/dbraw/zinc/88/42/92/434884292.db2.gz YQKCMFGFJQHNBU-UXHICEINSA-N 3 1 309.457 3.070 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250096 434884295 /nfs/dbraw/zinc/88/42/95/434884295.db2.gz YQKCMFGFJQHNBU-UXHICEINSA-N 3 1 309.457 3.070 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000552893124 434874384 /nfs/dbraw/zinc/87/43/84/434874384.db2.gz MMDGNEQYNIGVGH-SWLSCSKDSA-N 2 1 316.367 3.014 20 0 DGADMP CC[NH2+][C@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000638047986 434940665 /nfs/dbraw/zinc/94/06/65/434940665.db2.gz LPAXBXIZVSMJKK-OAHLLOKOSA-N 2 1 317.477 3.388 20 0 DGADMP C[N@@H+](CCC[C@H]1CCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067743 434944248 /nfs/dbraw/zinc/94/42/48/434944248.db2.gz UKLWFZOEYOADLY-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@H]1CCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067743 434944253 /nfs/dbraw/zinc/94/42/53/434944253.db2.gz UKLWFZOEYOADLY-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@H]1CCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067743 434944257 /nfs/dbraw/zinc/94/42/57/434944257.db2.gz UKLWFZOEYOADLY-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000555003284 434955930 /nfs/dbraw/zinc/95/59/30/434955930.db2.gz RIWBOAFMOJOVSY-VNQPRFMTSA-N 2 1 314.395 3.337 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574198871 434959016 /nfs/dbraw/zinc/95/90/16/434959016.db2.gz FTQCLOBPTGCXGN-ONCXSQPRSA-N 2 1 318.505 3.284 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128591 434959612 /nfs/dbraw/zinc/95/96/12/434959612.db2.gz UTYROTJOCOIISI-CQSZACIVSA-N 2 1 324.440 3.007 20 0 DGADMP Cc1scc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000638184200 434972999 /nfs/dbraw/zinc/97/29/99/434972999.db2.gz XYBPWNRJBCFJDV-YESZJQIVSA-N 2 1 308.491 3.048 20 0 DGADMP CCOC1CC(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000638447724 435033595 /nfs/dbraw/zinc/03/35/95/435033595.db2.gz OBADGOJXQYFNPS-KLAILNCOSA-N 2 1 322.518 3.365 20 0 DGADMP CCOC1CC(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000638447724 435033597 /nfs/dbraw/zinc/03/35/97/435033597.db2.gz OBADGOJXQYFNPS-KLAILNCOSA-N 2 1 322.518 3.365 20 0 DGADMP COc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000638433927 435030388 /nfs/dbraw/zinc/03/03/88/435030388.db2.gz FNIRWSLVFKLAQB-UHFFFAOYSA-N 2 1 319.474 3.282 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638447357 435031907 /nfs/dbraw/zinc/03/19/07/435031907.db2.gz CUYSTCUGNVVCNF-MJGOQNOKSA-N 2 1 316.489 3.495 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638447357 435031911 /nfs/dbraw/zinc/03/19/11/435031911.db2.gz CUYSTCUGNVVCNF-MJGOQNOKSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000556857852 435032123 /nfs/dbraw/zinc/03/21/23/435032123.db2.gz IJFRKVGZKWOGSL-UONOGXRCSA-N 2 1 308.416 3.360 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC000574612001 434991024 /nfs/dbraw/zinc/99/10/24/434991024.db2.gz JBSQGTRZWSFTLF-NSHGMRRFSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000574612001 434991027 /nfs/dbraw/zinc/99/10/27/434991027.db2.gz JBSQGTRZWSFTLF-NSHGMRRFSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000574612001 434991030 /nfs/dbraw/zinc/99/10/30/434991030.db2.gz JBSQGTRZWSFTLF-NSHGMRRFSA-N 2 1 317.521 3.215 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556051489 434992300 /nfs/dbraw/zinc/99/23/00/434992300.db2.gz ZLNCUBXQONFJQX-AZUAARDMSA-N 2 1 310.441 3.491 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556051489 434992304 /nfs/dbraw/zinc/99/23/04/434992304.db2.gz ZLNCUBXQONFJQX-AZUAARDMSA-N 2 1 310.441 3.491 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC[C@@H]2CCO2)CC1)CC1CC1 ZINC000638277028 434994883 /nfs/dbraw/zinc/99/48/83/434994883.db2.gz WZKQGZZHBQCRPA-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1nnsc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000638313425 435003515 /nfs/dbraw/zinc/00/35/15/435003515.db2.gz VYQXTEFAMFTKSL-UHFFFAOYSA-N 2 1 316.474 3.122 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638449400 435033229 /nfs/dbraw/zinc/03/32/29/435033229.db2.gz PSBDSTIUWXMSGB-AZUAARDMSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638328764 435007044 /nfs/dbraw/zinc/00/70/44/435007044.db2.gz KQEHSPJYBZXIAD-NEWSRXKRSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638328764 435007047 /nfs/dbraw/zinc/00/70/47/435007047.db2.gz KQEHSPJYBZXIAD-NEWSRXKRSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOC1 ZINC000638614108 435059430 /nfs/dbraw/zinc/05/94/30/435059430.db2.gz QLLFMMXZWOJLSI-DFQSSKMNSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOC1 ZINC000638614108 435059435 /nfs/dbraw/zinc/05/94/35/435059435.db2.gz QLLFMMXZWOJLSI-DFQSSKMNSA-N 2 1 314.473 3.371 20 0 DGADMP CCc1cccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000530901770 435059639 /nfs/dbraw/zinc/05/96/39/435059639.db2.gz XXWVLUBYICVTIB-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000530901770 435059645 /nfs/dbraw/zinc/05/96/45/435059645.db2.gz XXWVLUBYICVTIB-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000530901770 435059650 /nfs/dbraw/zinc/05/96/50/435059650.db2.gz XXWVLUBYICVTIB-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)(O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638621846 435060491 /nfs/dbraw/zinc/06/04/91/435060491.db2.gz ZEJYCCULQHZPQR-FQEVSTJZSA-N 2 1 318.505 3.285 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638668805 435067946 /nfs/dbraw/zinc/06/79/46/435067946.db2.gz PMDPRIXHPPREAN-IHPCNDPISA-N 2 1 316.489 3.495 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638668805 435067950 /nfs/dbraw/zinc/06/79/50/435067950.db2.gz PMDPRIXHPPREAN-IHPCNDPISA-N 2 1 316.489 3.495 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000638721429 435076706 /nfs/dbraw/zinc/07/67/06/435076706.db2.gz NVAQICDGPXFMRL-YUKKFIBKSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000638721429 435076710 /nfs/dbraw/zinc/07/67/10/435076710.db2.gz NVAQICDGPXFMRL-YUKKFIBKSA-N 2 1 324.472 3.229 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000638769015 435086738 /nfs/dbraw/zinc/08/67/38/435086738.db2.gz JWTZDVSFLYOMCR-ZCGYKAAXSA-N 2 1 321.428 3.432 20 0 DGADMP Cc1cnc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797370 435089861 /nfs/dbraw/zinc/08/98/61/435089861.db2.gz QFTVOAQURWDYNO-YJBOKZPZSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000638797370 435089865 /nfs/dbraw/zinc/08/98/65/435089865.db2.gz QFTVOAQURWDYNO-YJBOKZPZSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797370 435089868 /nfs/dbraw/zinc/08/98/68/435089868.db2.gz QFTVOAQURWDYNO-YJBOKZPZSA-N 2 1 313.445 3.373 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000557273977 435048885 /nfs/dbraw/zinc/04/88/85/435048885.db2.gz QGCZMVUXEDBQEC-BHIYHBOVSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000557273977 435048888 /nfs/dbraw/zinc/04/88/88/435048888.db2.gz QGCZMVUXEDBQEC-BHIYHBOVSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000558507180 435095012 /nfs/dbraw/zinc/09/50/12/435095012.db2.gz HVYBXKMQYIWLEN-BMFZPTHFSA-N 2 1 314.395 3.480 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC1CCOCC1 ZINC000638853788 435104490 /nfs/dbraw/zinc/10/44/90/435104490.db2.gz JTIQFPNZMPPQEU-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP c1ccc([C@H]2C[C@@H](NCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638863197 435107066 /nfs/dbraw/zinc/10/70/66/435107066.db2.gz LRVKRLCKEVGZGJ-AZUAARDMSA-N 2 1 313.489 3.040 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915497 435115946 /nfs/dbraw/zinc/11/59/46/435115946.db2.gz NIHGYVKCJLIHMS-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085716 435129757 /nfs/dbraw/zinc/12/97/57/435129757.db2.gz QIYBYOMRKQXWDN-HOJAQTOUSA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085716 435129761 /nfs/dbraw/zinc/12/97/61/435129761.db2.gz QIYBYOMRKQXWDN-HOJAQTOUSA-N 2 1 321.553 3.351 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085716 435129766 /nfs/dbraw/zinc/12/97/66/435129766.db2.gz QIYBYOMRKQXWDN-HOJAQTOUSA-N 2 1 321.553 3.351 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)ccn1 ZINC000559892235 435141303 /nfs/dbraw/zinc/14/13/03/435141303.db2.gz BRLABLTYFLEBRY-MRXNPFEDSA-N 2 1 313.445 3.263 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)ccn1 ZINC000559892235 435141306 /nfs/dbraw/zinc/14/13/06/435141306.db2.gz BRLABLTYFLEBRY-MRXNPFEDSA-N 2 1 313.445 3.263 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000559916186 435142472 /nfs/dbraw/zinc/14/24/72/435142472.db2.gz RXTPSYMHGIGADQ-HZPDHXFCSA-N 2 1 305.466 3.109 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000559916186 435142475 /nfs/dbraw/zinc/14/24/75/435142475.db2.gz RXTPSYMHGIGADQ-HZPDHXFCSA-N 2 1 305.466 3.109 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000532187893 435145638 /nfs/dbraw/zinc/14/56/38/435145638.db2.gz FCMRAZUWOUHXTP-CABCVRRESA-N 2 1 309.523 3.061 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)CC1 ZINC000639177013 435183999 /nfs/dbraw/zinc/18/39/99/435183999.db2.gz OHNQVULGDNHLOR-CQSZACIVSA-N 2 1 317.408 3.131 20 0 DGADMP CCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)s1 ZINC000560612085 435184896 /nfs/dbraw/zinc/18/48/96/435184896.db2.gz XREYLMGAFNZRON-XYPWUTKMSA-N 2 1 322.518 3.384 20 0 DGADMP CCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)s1 ZINC000560612085 435184900 /nfs/dbraw/zinc/18/49/00/435184900.db2.gz XREYLMGAFNZRON-XYPWUTKMSA-N 2 1 322.518 3.384 20 0 DGADMP CCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)s1 ZINC000560612085 435184904 /nfs/dbraw/zinc/18/49/04/435184904.db2.gz XREYLMGAFNZRON-XYPWUTKMSA-N 2 1 322.518 3.384 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475271366 435185502 /nfs/dbraw/zinc/18/55/02/435185502.db2.gz WNGCWSITMLUDKE-AABGKKOBSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000475350073 435192621 /nfs/dbraw/zinc/19/26/21/435192621.db2.gz BOFOYGRWYPFHHL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000475350073 435192622 /nfs/dbraw/zinc/19/26/22/435192622.db2.gz BOFOYGRWYPFHHL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000475350073 435192625 /nfs/dbraw/zinc/19/26/25/435192625.db2.gz BOFOYGRWYPFHHL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000475350073 435192627 /nfs/dbraw/zinc/19/26/27/435192627.db2.gz BOFOYGRWYPFHHL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493945872 435193492 /nfs/dbraw/zinc/19/34/92/435193492.db2.gz VEZYHECADAKHFF-BSDSXHPESA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493945872 435193495 /nfs/dbraw/zinc/19/34/95/435193495.db2.gz VEZYHECADAKHFF-BSDSXHPESA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226353 435204810 /nfs/dbraw/zinc/20/48/10/435204810.db2.gz WHQQABJKYJJKOB-SZVBFZGTSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226353 435204812 /nfs/dbraw/zinc/20/48/12/435204812.db2.gz WHQQABJKYJJKOB-SZVBFZGTSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226345 435205346 /nfs/dbraw/zinc/20/53/46/435205346.db2.gz WHQQABJKYJJKOB-AYBZRNKSSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226345 435205349 /nfs/dbraw/zinc/20/53/49/435205349.db2.gz WHQQABJKYJJKOB-AYBZRNKSSA-N 2 1 316.489 3.494 20 0 DGADMP FC(F)COCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639093859 435152189 /nfs/dbraw/zinc/15/21/89/435152189.db2.gz BTDGVBHXXRMCFN-NVXWUHKLSA-N 2 1 324.415 3.226 20 0 DGADMP FC(F)COCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639093859 435152193 /nfs/dbraw/zinc/15/21/93/435152193.db2.gz BTDGVBHXXRMCFN-NVXWUHKLSA-N 2 1 324.415 3.226 20 0 DGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474721196 435157692 /nfs/dbraw/zinc/15/76/92/435157692.db2.gz SZSRTZURRFAPGX-VQTJNVASSA-N 2 1 323.569 3.455 20 0 DGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474721194 435157738 /nfs/dbraw/zinc/15/77/38/435157738.db2.gz SZSRTZURRFAPGX-PMACEKPBSA-N 2 1 323.569 3.455 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560265026 435157937 /nfs/dbraw/zinc/15/79/37/435157937.db2.gz MJSVOQZBFSKXJC-KXBFYZLASA-N 2 1 302.462 3.438 20 0 DGADMP CO[C@@](C)(C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C1CC1 ZINC000639110065 435159435 /nfs/dbraw/zinc/15/94/35/435159435.db2.gz LACRNBJXQBAGAM-SFHVURJKSA-N 2 1 304.434 3.048 20 0 DGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000474725928 435159463 /nfs/dbraw/zinc/15/94/63/435159463.db2.gz ZMAKQCZIUVDLKN-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H](C)[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114703 435161021 /nfs/dbraw/zinc/16/10/21/435161021.db2.gz MLHSRVNTZTUPTM-MAUKXSAKSA-N 2 1 319.493 3.460 20 0 DGADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000639118767 435162116 /nfs/dbraw/zinc/16/21/16/435162116.db2.gz REWLZLKWYYRNIM-QXAKKESOSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000532454193 435167570 /nfs/dbraw/zinc/16/75/70/435167570.db2.gz BDEWUCVDLMZTHP-RHSMWYFYSA-N 2 1 315.486 3.282 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532524471 435173845 /nfs/dbraw/zinc/17/38/45/435173845.db2.gz ULXGBHTZIDNDDU-ZMSDIMECSA-N 2 1 317.477 3.038 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532524471 435173849 /nfs/dbraw/zinc/17/38/49/435173849.db2.gz ULXGBHTZIDNDDU-ZMSDIMECSA-N 2 1 317.477 3.038 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532516947 435173891 /nfs/dbraw/zinc/17/38/91/435173891.db2.gz VHPFCCWBOMJVJQ-AZUAARDMSA-N 2 1 316.489 3.348 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532516947 435173895 /nfs/dbraw/zinc/17/38/95/435173895.db2.gz VHPFCCWBOMJVJQ-AZUAARDMSA-N 2 1 316.489 3.348 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000533307877 435223849 /nfs/dbraw/zinc/22/38/49/435223849.db2.gz UIHVXNIQFTYXGI-MRXNPFEDSA-N 2 1 300.450 3.021 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533307877 435223858 /nfs/dbraw/zinc/22/38/58/435223858.db2.gz UIHVXNIQFTYXGI-MRXNPFEDSA-N 2 1 300.450 3.021 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533307877 435223862 /nfs/dbraw/zinc/22/38/62/435223862.db2.gz UIHVXNIQFTYXGI-MRXNPFEDSA-N 2 1 300.450 3.021 20 0 DGADMP CC1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000561597003 435224627 /nfs/dbraw/zinc/22/46/27/435224627.db2.gz RNKABMVKZGKKON-GQOXECLESA-N 2 1 316.489 3.312 20 0 DGADMP COC[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000561354878 435213097 /nfs/dbraw/zinc/21/30/97/435213097.db2.gz ROVRAXRXXQTXQO-SCTDSRPQSA-N 2 1 304.478 3.332 20 0 DGADMP COC[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000561354878 435213102 /nfs/dbraw/zinc/21/31/02/435213102.db2.gz ROVRAXRXXQTXQO-SCTDSRPQSA-N 2 1 304.478 3.332 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000580430760 435233441 /nfs/dbraw/zinc/23/34/41/435233441.db2.gz WJFYLMOOPDQKIQ-QGZVFWFLSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000580430760 435233444 /nfs/dbraw/zinc/23/34/44/435233444.db2.gz WJFYLMOOPDQKIQ-QGZVFWFLSA-N 2 1 320.477 3.435 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639299575 435237038 /nfs/dbraw/zinc/23/70/38/435237038.db2.gz RWSDHBMDFXOWQS-HKUYNNGSSA-N 2 1 314.473 3.371 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639299575 435237044 /nfs/dbraw/zinc/23/70/44/435237044.db2.gz RWSDHBMDFXOWQS-HKUYNNGSSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)(C)[C@]1(C[NH2+]C/C=C\CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000639307548 435239465 /nfs/dbraw/zinc/23/94/65/435239465.db2.gz BCFXVIRLZYZOSH-AQWUKCDYSA-N 2 1 316.489 3.063 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000583876269 435252318 /nfs/dbraw/zinc/25/23/18/435252318.db2.gz LJMQHMKDECPMHD-LSDHHAIUSA-N 2 1 300.450 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000583876269 435252324 /nfs/dbraw/zinc/25/23/24/435252324.db2.gz LJMQHMKDECPMHD-LSDHHAIUSA-N 2 1 300.450 3.030 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000643058229 435264944 /nfs/dbraw/zinc/26/49/44/435264944.db2.gz ZGLPZIKIXICULC-APWZRJJASA-N 2 1 314.404 3.324 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000643058229 435264949 /nfs/dbraw/zinc/26/49/49/435264949.db2.gz ZGLPZIKIXICULC-APWZRJJASA-N 2 1 314.404 3.324 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CS1 ZINC000639360278 435266797 /nfs/dbraw/zinc/26/67/97/435266797.db2.gz UQYMCUWIZHAXRX-IDCNUPLLSA-N 2 1 304.503 3.238 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2c1 ZINC000534347269 435282612 /nfs/dbraw/zinc/28/26/12/435282612.db2.gz FRCLZNUUAHQRRS-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)cc1OC ZINC000639395513 435285390 /nfs/dbraw/zinc/28/53/90/435285390.db2.gz AZWZCYGMJHQBIR-QGZVFWFLSA-N 2 1 318.461 3.010 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1OC ZINC000639395513 435285396 /nfs/dbraw/zinc/28/53/96/435285396.db2.gz AZWZCYGMJHQBIR-QGZVFWFLSA-N 2 1 318.461 3.010 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639355750 435261303 /nfs/dbraw/zinc/26/13/03/435261303.db2.gz BUMGAUIGFKCPTE-WSTLGDPDSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639355750 435261304 /nfs/dbraw/zinc/26/13/04/435261304.db2.gz BUMGAUIGFKCPTE-WSTLGDPDSA-N 2 1 314.473 3.369 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000639358718 435263471 /nfs/dbraw/zinc/26/34/71/435263471.db2.gz AEFRKROTXOJXFU-YTQUADARSA-N 2 1 304.478 3.159 20 0 DGADMP c1cc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000643056208 435263961 /nfs/dbraw/zinc/26/39/61/435263961.db2.gz AERVRHZMBHBFMS-OAHLLOKOSA-N 2 1 316.445 3.160 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COc2c1cccc2Cl ZINC000643466765 435331864 /nfs/dbraw/zinc/33/18/64/435331864.db2.gz MOIQIBFPEQWTQZ-ZBEGNZNMSA-N 2 1 317.820 3.286 20 0 DGADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507377 435339693 /nfs/dbraw/zinc/33/96/93/435339693.db2.gz BGNUVECHVYVRTM-OALUTQOASA-N 2 1 302.462 3.452 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000643502696 435339727 /nfs/dbraw/zinc/33/97/27/435339727.db2.gz OEOARMKDOWWMQC-IOJLRTSASA-N 2 1 315.505 3.161 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000643502696 435339742 /nfs/dbraw/zinc/33/97/42/435339742.db2.gz OEOARMKDOWWMQC-IOJLRTSASA-N 3 1 315.505 3.161 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000643502696 435339745 /nfs/dbraw/zinc/33/97/45/435339745.db2.gz OEOARMKDOWWMQC-IOJLRTSASA-N 3 1 315.505 3.161 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000643522590 435341247 /nfs/dbraw/zinc/34/12/47/435341247.db2.gz PTCVEINPFFEZRG-XEVCZEQESA-N 3 1 315.505 3.161 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1sccc1Br ZINC000643521929 435341434 /nfs/dbraw/zinc/34/14/34/435341434.db2.gz FOBAMLZHGUUIOA-VHSXEESVSA-N 2 1 303.269 3.303 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000643528781 435344046 /nfs/dbraw/zinc/34/40/46/435344046.db2.gz OQWAVQXJTYPRLU-MFKMUULPSA-N 2 1 305.422 3.263 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1N(C)C ZINC000643545873 435349182 /nfs/dbraw/zinc/34/91/82/435349182.db2.gz DTJWZCSPGUPSDC-HIFRSBDPSA-N 2 1 305.441 3.217 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643547379 435349448 /nfs/dbraw/zinc/34/94/48/435349448.db2.gz DQDKDXMDMQEQIV-YOEHRIQHSA-N 2 1 316.445 3.173 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546596 435349724 /nfs/dbraw/zinc/34/97/24/435349724.db2.gz RNEIHLVPALYBBR-ZBFHGGJFSA-N 2 1 304.409 3.304 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587606 435352651 /nfs/dbraw/zinc/35/26/51/435352651.db2.gz SDEGNHMRCNXMSZ-XHDPSFHLSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587606 435352654 /nfs/dbraw/zinc/35/26/54/435352654.db2.gz SDEGNHMRCNXMSZ-XHDPSFHLSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587606 435352656 /nfs/dbraw/zinc/35/26/56/435352656.db2.gz SDEGNHMRCNXMSZ-XHDPSFHLSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587606 435352660 /nfs/dbraw/zinc/35/26/60/435352660.db2.gz SDEGNHMRCNXMSZ-XHDPSFHLSA-N 2 1 307.825 3.253 20 0 DGADMP c1ccc(Oc2ccc(OCC[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479763330 435352956 /nfs/dbraw/zinc/35/29/56/435352956.db2.gz OUMHCJOTSFVFAL-CALCHBBNSA-N 2 1 324.424 3.009 20 0 DGADMP c1ccc(Oc2ccc(OCC[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479763330 435352964 /nfs/dbraw/zinc/35/29/64/435352964.db2.gz OUMHCJOTSFVFAL-CALCHBBNSA-N 2 1 324.424 3.009 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000535811444 435358087 /nfs/dbraw/zinc/35/80/87/435358087.db2.gz IWTOYBMIRQOMAE-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000535811444 435358093 /nfs/dbraw/zinc/35/80/93/435358093.db2.gz IWTOYBMIRQOMAE-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000535811444 435358099 /nfs/dbraw/zinc/35/80/99/435358099.db2.gz IWTOYBMIRQOMAE-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654942 435362344 /nfs/dbraw/zinc/36/23/44/435362344.db2.gz QAUQAMPIHHPIDN-CEWLAPEOSA-N 2 1 323.484 3.415 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)CC1 ZINC000639758530 435408707 /nfs/dbraw/zinc/40/87/07/435408707.db2.gz UGWUPTURNQVESK-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)CC1 ZINC000639760336 435409680 /nfs/dbraw/zinc/40/96/80/435409680.db2.gz VLERLPNQQVFREK-UHFFFAOYSA-N 2 1 317.458 3.321 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757952 435410175 /nfs/dbraw/zinc/41/01/75/435410175.db2.gz NIQJCXODVOFPIL-CQSZACIVSA-N 2 1 305.466 3.451 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757028 435410381 /nfs/dbraw/zinc/41/03/81/435410381.db2.gz CEIJEZVNNPCKDG-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000536826445 435412657 /nfs/dbraw/zinc/41/26/57/435412657.db2.gz LGTRBUWGKWLGAK-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000481248570 435417716 /nfs/dbraw/zinc/41/77/16/435417716.db2.gz YCAJEWQVPMUKRE-XHDPSFHLSA-N 2 1 301.261 3.466 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512664886 435366142 /nfs/dbraw/zinc/36/61/42/435366142.db2.gz BWPWKNQPGFZTPN-ZGXWSNOMSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512664883 435366272 /nfs/dbraw/zinc/36/62/72/435366272.db2.gz BWPWKNQPGFZTPN-UAFMIMERSA-N 2 1 316.489 3.038 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067723 435369941 /nfs/dbraw/zinc/36/99/41/435369941.db2.gz XHFLIGIIBTWVAV-HNNXBMFYSA-N 2 1 308.385 3.065 20 0 DGADMP Cn1ccnc1[C@H]1CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067723 435369947 /nfs/dbraw/zinc/36/99/47/435369947.db2.gz XHFLIGIIBTWVAV-HNNXBMFYSA-N 2 1 308.385 3.065 20 0 DGADMP COC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000480370776 435375179 /nfs/dbraw/zinc/37/51/79/435375179.db2.gz NCIYDWGOBFVUQW-LJQANCHMSA-N 2 1 316.489 3.100 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000513331502 435384420 /nfs/dbraw/zinc/38/44/20/435384420.db2.gz TZCBQSXVEPHTBU-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513331502 435384431 /nfs/dbraw/zinc/38/44/31/435384431.db2.gz TZCBQSXVEPHTBU-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP c1cc(N2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000639684123 435391326 /nfs/dbraw/zinc/39/13/26/435391326.db2.gz RJOWKOWJMAJMGH-SFHVURJKSA-N 2 1 315.461 3.086 20 0 DGADMP COc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccc1C ZINC000639683513 435391407 /nfs/dbraw/zinc/39/14/07/435391407.db2.gz ISBPSHSQAVZOTP-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP Fc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1F ZINC000639681169 435391794 /nfs/dbraw/zinc/39/17/94/435391794.db2.gz FCNSKKUZQVLSGP-UHFFFAOYSA-N 2 1 303.356 3.072 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000480758594 435392583 /nfs/dbraw/zinc/39/25/83/435392583.db2.gz SLHNPANKHDNTTC-HXUWFJFHSA-N 2 1 318.505 3.344 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639983748 435480505 /nfs/dbraw/zinc/48/05/05/435480505.db2.gz CONATILZKZQMHF-MRXNPFEDSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000482170093 435456721 /nfs/dbraw/zinc/45/67/21/435456721.db2.gz MIZSYHURCOGCCA-SJORKVTESA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCC[C@@H](C)C1 ZINC000482170093 435456726 /nfs/dbraw/zinc/45/67/26/435456726.db2.gz MIZSYHURCOGCCA-SJORKVTESA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644561233 435456862 /nfs/dbraw/zinc/45/68/62/435456862.db2.gz VGLXCSPQIUAGLN-OZOXKJRCSA-N 2 1 324.468 3.002 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644561233 435456869 /nfs/dbraw/zinc/45/68/69/435456869.db2.gz VGLXCSPQIUAGLN-OZOXKJRCSA-N 2 1 324.468 3.002 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCCC(C)(C)C1 ZINC000537691583 435461792 /nfs/dbraw/zinc/46/17/92/435461792.db2.gz ACXZIRIGQPWYAL-BRSBDYLESA-N 2 1 308.510 3.386 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](CCCOc2ccccc2)CC1 ZINC000639981023 435479516 /nfs/dbraw/zinc/47/95/16/435479516.db2.gz GWIHRYWUIKAKMH-UHFFFAOYSA-N 2 1 302.462 3.406 20 0 DGADMP CC(C)CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000514688932 435429092 /nfs/dbraw/zinc/42/90/92/435429092.db2.gz PPXJXMFNWBDHNQ-SFHVURJKSA-N 2 1 311.558 3.455 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H](C)[N@@H+](C)C2CC2)c2ccccn21 ZINC000568402243 435434684 /nfs/dbraw/zinc/43/46/84/435434684.db2.gz XIDFBAVQVGASAY-CQSZACIVSA-N 2 1 300.450 3.030 20 0 DGADMP Fc1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000639874510 435441501 /nfs/dbraw/zinc/44/15/01/435441501.db2.gz VSJKIMUZLPFPHK-UHFFFAOYSA-N 2 1 305.441 3.276 20 0 DGADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000644439687 435441936 /nfs/dbraw/zinc/44/19/36/435441936.db2.gz HVUPFHGXXPDFFW-UHFFFAOYSA-N 2 1 316.474 3.122 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000514861942 435443161 /nfs/dbraw/zinc/44/31/61/435443161.db2.gz ZGMOLOYNLCJWNP-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000514861942 435443167 /nfs/dbraw/zinc/44/31/67/435443167.db2.gz ZGMOLOYNLCJWNP-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000569119140 435506100 /nfs/dbraw/zinc/50/61/00/435506100.db2.gz YSJNYJUVOKRNHD-WBVHZDCISA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000569119140 435506105 /nfs/dbraw/zinc/50/61/05/435506105.db2.gz YSJNYJUVOKRNHD-WBVHZDCISA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000569119140 435506108 /nfs/dbraw/zinc/50/61/08/435506108.db2.gz YSJNYJUVOKRNHD-WBVHZDCISA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000569119140 435506111 /nfs/dbraw/zinc/50/61/11/435506111.db2.gz YSJNYJUVOKRNHD-WBVHZDCISA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000569119140 435506115 /nfs/dbraw/zinc/50/61/15/435506115.db2.gz YSJNYJUVOKRNHD-WBVHZDCISA-N 2 1 321.896 3.335 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483464354 435521201 /nfs/dbraw/zinc/52/12/01/435521201.db2.gz DOFYCFZNWGOJKL-AZUAARDMSA-N 2 1 316.489 3.488 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000538868749 435528002 /nfs/dbraw/zinc/52/80/02/435528002.db2.gz IOJXSYMZMBZMBF-QAPCUYQASA-N 2 1 304.453 3.468 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000538868747 435528331 /nfs/dbraw/zinc/52/83/31/435528331.db2.gz IOJXSYMZMBZMBF-CRAIPNDOSA-N 2 1 304.453 3.468 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000539091933 435537093 /nfs/dbraw/zinc/53/70/93/435537093.db2.gz ZDRXZBAUIWDMLM-SWLSCSKDSA-N 2 1 316.367 3.014 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568901075 435482415 /nfs/dbraw/zinc/48/24/15/435482415.db2.gz LNONUTCCJBHSFJ-NSISKUIASA-N 3 1 315.505 3.421 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000482948509 435488609 /nfs/dbraw/zinc/48/86/09/435488609.db2.gz PKMQKLOPNZQMCQ-SOLBZPMBSA-N 2 1 303.494 3.046 20 0 DGADMP CCC1([NH+](C)C)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000640015479 435491059 /nfs/dbraw/zinc/49/10/59/435491059.db2.gz JXLFQHJCKWHTOB-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000569475702 435536076 /nfs/dbraw/zinc/53/60/76/435536076.db2.gz MBQKFKZURJUCRE-UHFFFAOYSA-N 2 1 323.868 3.133 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2c(C)cccc2C)C[C@@H]1C ZINC000484921619 435555695 /nfs/dbraw/zinc/55/56/95/435555695.db2.gz PZAGZVVVRJUXGT-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2c(C)cccc2C)C[C@@H]1C ZINC000484921619 435555697 /nfs/dbraw/zinc/55/56/97/435555697.db2.gz PZAGZVVVRJUXGT-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2c(C)cccc2C)C[C@@H]1C ZINC000484921619 435555698 /nfs/dbraw/zinc/55/56/98/435555698.db2.gz PZAGZVVVRJUXGT-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1N1CCCC1 ZINC000649411422 435579488 /nfs/dbraw/zinc/57/94/88/435579488.db2.gz WPEPDUQNNSVHRS-UHFFFAOYSA-N 2 1 315.505 3.498 20 0 DGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000539093787 435540501 /nfs/dbraw/zinc/54/05/01/435540501.db2.gz PSYFUIKDISCDKF-KZNAEPCWSA-N 2 1 304.478 3.391 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000517754890 435610738 /nfs/dbraw/zinc/61/07/38/435610738.db2.gz IBPWCKPFEOSKHY-MAUKXSAKSA-N 2 1 323.440 3.251 20 0 DGADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354144 435613085 /nfs/dbraw/zinc/61/30/85/435613085.db2.gz RBRYCPHBTBFYIR-YLJYHZDGSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354144 435613088 /nfs/dbraw/zinc/61/30/88/435613088.db2.gz RBRYCPHBTBFYIR-YLJYHZDGSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354144 435613091 /nfs/dbraw/zinc/61/30/91/435613091.db2.gz RBRYCPHBTBFYIR-YLJYHZDGSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354144 435613097 /nfs/dbraw/zinc/61/30/97/435613097.db2.gz RBRYCPHBTBFYIR-YLJYHZDGSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000570354144 435613100 /nfs/dbraw/zinc/61/31/00/435613100.db2.gz RBRYCPHBTBFYIR-YLJYHZDGSA-N 2 1 312.457 3.289 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488048120 435633516 /nfs/dbraw/zinc/63/35/16/435633516.db2.gz MYBHBDAVRXKBIB-RZFLPCETSA-N 2 1 320.521 3.290 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488048120 435633518 /nfs/dbraw/zinc/63/35/18/435633518.db2.gz MYBHBDAVRXKBIB-RZFLPCETSA-N 2 1 320.521 3.290 20 0 DGADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000540199528 435593078 /nfs/dbraw/zinc/59/30/78/435593078.db2.gz YMHRNPBGTGYJQS-INIZCTEOSA-N 2 1 312.498 3.018 20 0 DGADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000540199528 435593081 /nfs/dbraw/zinc/59/30/81/435593081.db2.gz YMHRNPBGTGYJQS-INIZCTEOSA-N 2 1 312.498 3.018 20 0 DGADMP Cc1cnc(CC[N@@H+](C)CCCC[NH+]2CCCCC2)c(C)c1 ZINC000640534968 435597754 /nfs/dbraw/zinc/59/77/54/435597754.db2.gz YCUTXTUERGNLMU-UHFFFAOYSA-N 2 1 303.494 3.439 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000517537234 435600424 /nfs/dbraw/zinc/60/04/24/435600424.db2.gz MLZPZMOVVQLVKI-CALCHBBNSA-N 2 1 314.473 3.420 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000517537234 435600427 /nfs/dbraw/zinc/60/04/27/435600427.db2.gz MLZPZMOVVQLVKI-CALCHBBNSA-N 2 1 314.473 3.420 20 0 DGADMP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n[nH]1 ZINC000570301541 435606398 /nfs/dbraw/zinc/60/63/98/435606398.db2.gz CXPOONPXZNFZLH-YSIASYRMSA-N 2 1 324.472 3.190 20 0 DGADMP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n[nH]1 ZINC000570301541 435606400 /nfs/dbraw/zinc/60/64/00/435606400.db2.gz CXPOONPXZNFZLH-YSIASYRMSA-N 2 1 324.472 3.190 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Cl)c1 ZINC000570762425 435647851 /nfs/dbraw/zinc/64/78/51/435647851.db2.gz WQQJINGWRZFOIF-WMLDXEAASA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Cl)c1 ZINC000570762425 435647857 /nfs/dbraw/zinc/64/78/57/435647857.db2.gz WQQJINGWRZFOIF-WMLDXEAASA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Cl)c1 ZINC000570762425 435647862 /nfs/dbraw/zinc/64/78/62/435647862.db2.gz WQQJINGWRZFOIF-WMLDXEAASA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(Cl)c1 ZINC000570762425 435647867 /nfs/dbraw/zinc/64/78/67/435647867.db2.gz WQQJINGWRZFOIF-WMLDXEAASA-N 2 1 308.853 3.265 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649711122 435676298 /nfs/dbraw/zinc/67/62/98/435676298.db2.gz XKRAOLXNIUKGOI-GFCCVEGCSA-N 2 1 308.363 3.227 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649711122 435676304 /nfs/dbraw/zinc/67/63/04/435676304.db2.gz XKRAOLXNIUKGOI-GFCCVEGCSA-N 2 1 308.363 3.227 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701069 435702346 /nfs/dbraw/zinc/70/23/46/435702346.db2.gz CNFSBCPHPDTEMV-FZMZJTMJSA-N 2 1 305.809 3.307 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701069 435702350 /nfs/dbraw/zinc/70/23/50/435702350.db2.gz CNFSBCPHPDTEMV-FZMZJTMJSA-N 2 1 305.809 3.307 20 0 DGADMP Fc1cccc(F)c1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000645837832 435702506 /nfs/dbraw/zinc/70/25/06/435702506.db2.gz GRLVTLHKUAVOPS-IFXJQAMLSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1cccc(F)c1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000645837832 435702524 /nfs/dbraw/zinc/70/25/24/435702524.db2.gz GRLVTLHKUAVOPS-IFXJQAMLSA-N 2 1 320.427 3.456 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655699547 435731629 /nfs/dbraw/zinc/73/16/29/435731629.db2.gz CJIXKAQPYXHURH-HXUWFJFHSA-N 2 1 316.489 3.079 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660416316 435732062 /nfs/dbraw/zinc/73/20/62/435732062.db2.gz GVBDYCRSYFTKBH-UHFFFAOYSA-N 2 1 302.422 3.223 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000660416316 435732071 /nfs/dbraw/zinc/73/20/71/435732071.db2.gz GVBDYCRSYFTKBH-UHFFFAOYSA-N 2 1 302.422 3.223 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655700453 435732544 /nfs/dbraw/zinc/73/25/44/435732544.db2.gz IMTHZEAZDVNRHN-QFBILLFUSA-N 2 1 308.510 3.436 20 0 DGADMP c1ccc2cc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2c1 ZINC000655702316 435734955 /nfs/dbraw/zinc/73/49/55/435734955.db2.gz SNDDIKBIEIBUPC-OAQYLSRUSA-N 2 1 324.468 3.225 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000651489772 435744539 /nfs/dbraw/zinc/74/45/39/435744539.db2.gz JVLLLPZKTDRLHC-QXAKKESOSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000655720444 435746100 /nfs/dbraw/zinc/74/61/00/435746100.db2.gz XGNZDLYMOCCOBV-HNAYVOBHSA-N 2 1 320.477 3.142 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](C/C=C\C[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907489 435746934 /nfs/dbraw/zinc/74/69/34/435746934.db2.gz SNRUFUCNVLFFFT-YZRRVPADSA-N 2 1 318.358 3.005 20 0 DGADMP FC1(F)C[C@@]12CC[N@@H+](C/C=C\C[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907489 435746941 /nfs/dbraw/zinc/74/69/41/435746941.db2.gz SNRUFUCNVLFFFT-YZRRVPADSA-N 2 1 318.358 3.005 20 0 DGADMP FC1(F)C[C@@]12CC[N@H+](C/C=C\C[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907489 435746952 /nfs/dbraw/zinc/74/69/52/435746952.db2.gz SNRUFUCNVLFFFT-YZRRVPADSA-N 2 1 318.358 3.005 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655737165 435762077 /nfs/dbraw/zinc/76/20/77/435762077.db2.gz WHRRCUHAVPGAMW-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP CCn1cc(C[NH2+]CCC[N@H+](C)C(C)C)c(-c2ccccc2)n1 ZINC000641705823 435792726 /nfs/dbraw/zinc/79/27/26/435792726.db2.gz VSKAVXZIQCCYQU-UHFFFAOYSA-N 2 1 314.477 3.390 20 0 DGADMP CCn1cc(C[NH2+]CCC[N@@H+](C)C(C)C)c(-c2ccccc2)n1 ZINC000641705823 435792730 /nfs/dbraw/zinc/79/27/30/435792730.db2.gz VSKAVXZIQCCYQU-UHFFFAOYSA-N 2 1 314.477 3.390 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCC[C@@H]1C1CC1 ZINC000655777673 435794617 /nfs/dbraw/zinc/79/46/17/435794617.db2.gz WBUNGQRJRGAIBT-YTQUADARSA-N 2 1 306.494 3.046 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)CC1 ZINC000550200253 435798455 /nfs/dbraw/zinc/79/84/55/435798455.db2.gz CKYAZHJZTUPEJZ-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP CC[N@H+](CCC[NH2+][C@H](C)c1cncnc1C)C1CCCCC1 ZINC000655791022 435800184 /nfs/dbraw/zinc/80/01/84/435800184.db2.gz FLTKAENQCBLRPK-OAHLLOKOSA-N 2 1 304.482 3.480 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cncnc1C)C1CCCCC1 ZINC000655791022 435800189 /nfs/dbraw/zinc/80/01/89/435800189.db2.gz FLTKAENQCBLRPK-OAHLLOKOSA-N 2 1 304.482 3.480 20 0 DGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655792510 435800710 /nfs/dbraw/zinc/80/07/10/435800710.db2.gz JZZZHUBWGKIUFV-YSIASYRMSA-N 2 1 314.473 3.084 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000660558070 435804510 /nfs/dbraw/zinc/80/45/10/435804510.db2.gz QYFJXRJJNDBDIH-HUUCEWRRSA-N 2 1 318.436 3.331 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000660558070 435804512 /nfs/dbraw/zinc/80/45/12/435804512.db2.gz QYFJXRJJNDBDIH-HUUCEWRRSA-N 2 1 318.436 3.331 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc2ccccc2s1 ZINC000641771106 435814485 /nfs/dbraw/zinc/81/44/85/435814485.db2.gz CSXNGWSDQOJFEU-OAHLLOKOSA-N 2 1 306.475 3.084 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1N ZINC000641765633 435815767 /nfs/dbraw/zinc/81/57/67/435815767.db2.gz RKGJAKFXCSLSSM-IBGZPJMESA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1N ZINC000641765633 435815771 /nfs/dbraw/zinc/81/57/71/435815771.db2.gz RKGJAKFXCSLSSM-IBGZPJMESA-N 2 1 324.472 3.054 20 0 DGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472395 435765159 /nfs/dbraw/zinc/76/51/59/435765159.db2.gz JXPBZTZCCOZKDT-HOCLYGCPSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@@H](c1cc(F)ccc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472395 435765168 /nfs/dbraw/zinc/76/51/68/435765168.db2.gz JXPBZTZCCOZKDT-HOCLYGCPSA-N 2 1 324.415 3.213 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655752487 435771658 /nfs/dbraw/zinc/77/16/58/435771658.db2.gz YUGHZARWLAXTCW-CWRNSKLLSA-N 2 1 302.466 3.089 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655752487 435771667 /nfs/dbraw/zinc/77/16/67/435771667.db2.gz YUGHZARWLAXTCW-CWRNSKLLSA-N 2 1 302.466 3.089 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3ccnc(C)n3)C2)s1 ZINC000641646900 435775289 /nfs/dbraw/zinc/77/52/89/435775289.db2.gz LPYWUWNEKSSWDB-OAHLLOKOSA-N 2 1 316.474 3.113 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000660497167 435776308 /nfs/dbraw/zinc/77/63/08/435776308.db2.gz MGJFVKKAVCLQBN-CGTJXYLNSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000660497167 435776315 /nfs/dbraw/zinc/77/63/15/435776315.db2.gz MGJFVKKAVCLQBN-CGTJXYLNSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000660497167 435776320 /nfs/dbraw/zinc/77/63/20/435776320.db2.gz MGJFVKKAVCLQBN-CGTJXYLNSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000660497167 435776325 /nfs/dbraw/zinc/77/63/25/435776325.db2.gz MGJFVKKAVCLQBN-CGTJXYLNSA-N 2 1 322.518 3.114 20 0 DGADMP CCCOc1ccc([C@H](C)NCc2cnc(C)n2C)cc1OC ZINC000520839986 435777345 /nfs/dbraw/zinc/77/73/45/435777345.db2.gz ZMEDTMFKHZQEAU-ZDUSSCGKSA-N 2 1 317.433 3.377 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)C1 ZINC000520838319 435778516 /nfs/dbraw/zinc/77/85/16/435778516.db2.gz XJTHYABDQVYMAJ-UWVGGRQHSA-N 2 1 319.193 3.087 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C3CCC3)cc1)CCO2 ZINC000646105623 435781493 /nfs/dbraw/zinc/78/14/93/435781493.db2.gz AEJWUDHEWVCJLI-UHFFFAOYSA-N 2 1 314.473 3.251 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655764486 435782692 /nfs/dbraw/zinc/78/26/92/435782692.db2.gz IUGNRVDRICCIER-IHPCNDPISA-N 2 1 314.473 3.166 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1F ZINC000655771454 435786948 /nfs/dbraw/zinc/78/69/48/435786948.db2.gz LGJLQELOMYPLCD-CRAIPNDOSA-N 2 1 320.452 3.428 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803657 435827732 /nfs/dbraw/zinc/82/77/32/435827732.db2.gz DEYOKUDQKMIFGN-IMJJTQAJSA-N 2 1 317.477 3.161 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000641823141 435834892 /nfs/dbraw/zinc/83/48/92/435834892.db2.gz REPCQURZNXDDAC-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660663683 435846481 /nfs/dbraw/zinc/84/64/81/435846481.db2.gz PBANMALHIYMFGI-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660663683 435846486 /nfs/dbraw/zinc/84/64/86/435846486.db2.gz PBANMALHIYMFGI-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660663683 435846491 /nfs/dbraw/zinc/84/64/91/435846491.db2.gz PBANMALHIYMFGI-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660663683 435846499 /nfs/dbraw/zinc/84/64/99/435846499.db2.gz PBANMALHIYMFGI-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000651866348 435849363 /nfs/dbraw/zinc/84/93/63/435849363.db2.gz AOEHROOZWTVBNK-UHFFFAOYSA-N 2 1 300.450 3.144 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000651866348 435849369 /nfs/dbraw/zinc/84/93/69/435849369.db2.gz AOEHROOZWTVBNK-UHFFFAOYSA-N 2 1 300.450 3.144 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674468 435853566 /nfs/dbraw/zinc/85/35/66/435853566.db2.gz CIOMQTOWTWOSJJ-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651894100 435856809 /nfs/dbraw/zinc/85/68/09/435856809.db2.gz RDWUFJUFQYVSKZ-CUDHKJQZSA-N 2 1 318.505 3.426 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651894100 435856812 /nfs/dbraw/zinc/85/68/12/435856812.db2.gz RDWUFJUFQYVSKZ-CUDHKJQZSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000651897138 435857568 /nfs/dbraw/zinc/85/75/68/435857568.db2.gz PEGSQXFAOSBRRC-IBGZPJMESA-N 2 1 320.477 3.016 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000572722264 435859690 /nfs/dbraw/zinc/85/96/90/435859690.db2.gz VVTJKVAGFQGLHM-YUELXQCFSA-N 2 1 323.278 3.094 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000572722264 435859701 /nfs/dbraw/zinc/85/97/01/435859701.db2.gz VVTJKVAGFQGLHM-YUELXQCFSA-N 2 1 323.278 3.094 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000572722261 435860772 /nfs/dbraw/zinc/86/07/72/435860772.db2.gz VVTJKVAGFQGLHM-BPLDGKMQSA-N 2 1 323.278 3.094 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000572722261 435860776 /nfs/dbraw/zinc/86/07/76/435860776.db2.gz VVTJKVAGFQGLHM-BPLDGKMQSA-N 2 1 323.278 3.094 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1nc(C)ccc1O)C1CCCCC1 ZINC000651910157 435862845 /nfs/dbraw/zinc/86/28/45/435862845.db2.gz IYWIXTMJDLNJLB-UHFFFAOYSA-N 2 1 305.466 3.230 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1nc(C)ccc1O)C1CCCCC1 ZINC000651910157 435862851 /nfs/dbraw/zinc/86/28/51/435862851.db2.gz IYWIXTMJDLNJLB-UHFFFAOYSA-N 2 1 305.466 3.230 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)CCn1cccn1)C1CCCCC1 ZINC000651909941 435862942 /nfs/dbraw/zinc/86/29/42/435862942.db2.gz AZBBIYDHYTZENE-KRWDZBQOSA-N 2 1 306.498 3.296 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000572855818 435875243 /nfs/dbraw/zinc/87/52/43/435875243.db2.gz NJGBDXUOLIYHQG-VXGBXAGGSA-N 2 1 305.422 3.309 20 0 DGADMP CC(C)c1nc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c2ccccn21 ZINC000651786677 435825434 /nfs/dbraw/zinc/82/54/34/435825434.db2.gz HVTSLBWYFFIAKZ-HNNXBMFYSA-N 2 1 323.444 3.006 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000552086684 435881348 /nfs/dbraw/zinc/88/13/48/435881348.db2.gz MYMJUZDQJLBBLH-BBRMVZONSA-N 2 1 305.853 3.225 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651983817 435886350 /nfs/dbraw/zinc/88/63/50/435886350.db2.gz KZTPKHRBAZWRJU-UWVAXJGDSA-N 2 1 316.489 3.302 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)c1 ZINC000665278257 435936515 /nfs/dbraw/zinc/93/65/15/435936515.db2.gz ZKHFWJAYMAUKMJ-SGDIKTSBSA-N 2 1 322.452 3.321 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCCC1 ZINC000665246299 435926676 /nfs/dbraw/zinc/92/66/76/435926676.db2.gz BCVXPVVBEKCKKM-JTQLQIEISA-N 2 1 315.280 3.359 20 0 DGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000665249939 435929401 /nfs/dbraw/zinc/92/94/01/435929401.db2.gz BVYVKYGTAGQCLA-NJDAHSKKSA-N 2 1 306.453 3.279 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H](C)C2)cc1F ZINC000665258749 435931914 /nfs/dbraw/zinc/93/19/14/435931914.db2.gz KQHMMAFXNKQCMN-QEWYBTABSA-N 2 1 306.425 3.058 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363097 435959586 /nfs/dbraw/zinc/95/95/86/435959586.db2.gz XPQDHRKUGSJSGM-ZCNNSNEGSA-N 2 1 316.489 3.288 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC23CC3)cc1 ZINC000647170504 435960334 /nfs/dbraw/zinc/96/03/34/435960334.db2.gz BVPVDGGNBOSFPO-RBUKOAKNSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC23CC3)cc1 ZINC000647170504 435960336 /nfs/dbraw/zinc/96/03/36/435960336.db2.gz BVPVDGGNBOSFPO-RBUKOAKNSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CO1 ZINC000647171495 435960383 /nfs/dbraw/zinc/96/03/83/435960383.db2.gz LWKFKZVFNJTORQ-JTDSTZFVSA-N 2 1 302.462 3.186 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000650705835 435994733 /nfs/dbraw/zinc/99/47/33/435994733.db2.gz XVOYIOKYHZAJKV-UXLLHSPISA-N 2 1 308.853 3.058 20 0 DGADMP Cc1ccccc1-n1cc(CNCc2cnc3n2CCCC3)cn1 ZINC000647209430 435974259 /nfs/dbraw/zinc/97/42/59/435974259.db2.gz IRWATTLAWUHWLG-UHFFFAOYSA-N 2 1 321.428 3.003 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707287 435994906 /nfs/dbraw/zinc/99/49/06/435994906.db2.gz CIYWKADLSFZFMO-BVBHFADKSA-N 2 1 302.462 3.008 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cscc3Cl)C2)C1 ZINC000650707598 435995058 /nfs/dbraw/zinc/99/50/58/435995058.db2.gz JCZPWOWIXVTYSZ-LNSITVRQSA-N 2 1 314.882 3.120 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000647243842 435987923 /nfs/dbraw/zinc/98/79/23/435987923.db2.gz PTKIZYUPXQPESC-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccsc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249003 435991146 /nfs/dbraw/zinc/99/11/46/435991146.db2.gz WSHRWOWSJXZBOM-CVEARBPZSA-N 2 1 316.470 3.192 20 0 DGADMP COc1ccsc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249003 435991151 /nfs/dbraw/zinc/99/11/51/435991151.db2.gz WSHRWOWSJXZBOM-CVEARBPZSA-N 2 1 316.470 3.192 20 0 DGADMP COC1(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCCCC1 ZINC000647249199 435992745 /nfs/dbraw/zinc/99/27/45/435992745.db2.gz IWPYGIKIHXWCQH-MOPGFXCFSA-N 2 1 316.489 3.271 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000665281844 435938514 /nfs/dbraw/zinc/93/85/14/435938514.db2.gz LPJHJGVPPFNMEI-GDBMZVCRSA-N 2 1 300.450 3.111 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000652350740 435956794 /nfs/dbraw/zinc/95/67/94/435956794.db2.gz DESVHBPMRHVBLP-PXNSSMCTSA-N 2 1 314.473 3.375 20 0 DGADMP FC1(F)CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000647169053 435957023 /nfs/dbraw/zinc/95/70/23/435957023.db2.gz WZYGALSOPRXXIC-UHFFFAOYSA-N 2 1 324.415 3.186 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000650709360 435997679 /nfs/dbraw/zinc/99/76/79/435997679.db2.gz VBBXVPQGBZQDDL-YJBOKZPZSA-N 2 1 315.848 3.449 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OC ZINC000650710868 435997800 /nfs/dbraw/zinc/99/78/00/435997800.db2.gz AZHLXBSBDNINPN-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc2n(n1)CCCC2 ZINC000647281842 435998104 /nfs/dbraw/zinc/99/81/04/435998104.db2.gz LOGDRIAKPGQWGT-OAHLLOKOSA-N 2 1 312.461 3.132 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1OC(C)C ZINC000650708763 435998704 /nfs/dbraw/zinc/99/87/04/435998704.db2.gz LLNIJHLWEBPCLP-LPHOPBHVSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1OC(C)C ZINC000650708763 435998706 /nfs/dbraw/zinc/99/87/06/435998706.db2.gz LLNIJHLWEBPCLP-LPHOPBHVSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1SC ZINC000650710960 435999061 /nfs/dbraw/zinc/99/90/61/435999061.db2.gz DPIICRYCCIGOFL-UKRRQHHQSA-N 2 1 308.491 3.366 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCCCOc1ccccc1)C2 ZINC000650709851 435999078 /nfs/dbraw/zinc/99/90/78/435999078.db2.gz TUEYKHGYLYHOAC-HKUYNNGSSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647282983 436000603 /nfs/dbraw/zinc/00/06/03/436000603.db2.gz CLXARHVQLORUTR-IRXDYDNUSA-N 2 1 318.509 3.382 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000650722644 436005940 /nfs/dbraw/zinc/00/59/40/436005940.db2.gz YNMNUWGDCGRKNS-ZACQAIPSSA-N 2 1 308.853 3.201 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650722267 436006081 /nfs/dbraw/zinc/00/60/81/436006081.db2.gz OFEUNDIEPSMNHT-VAMGGRTRSA-N 2 1 316.489 3.473 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000650723011 436006637 /nfs/dbraw/zinc/00/66/37/436006637.db2.gz GGQADGQNNXCEPP-HOJAQTOUSA-N 2 1 314.473 3.425 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647320797 436013162 /nfs/dbraw/zinc/01/31/62/436013162.db2.gz FEIDFXJFZYUHCT-JYJNAYRXSA-N 2 1 320.502 3.250 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647320800 436013965 /nfs/dbraw/zinc/01/39/65/436013965.db2.gz FEIDFXJFZYUHCT-XHSDSOJGSA-N 2 1 320.502 3.250 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c(F)c1 ZINC000650753654 436019399 /nfs/dbraw/zinc/01/93/99/436019399.db2.gz SDDGNPLXLOOFMA-QGZVFWFLSA-N 2 1 318.367 3.427 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@@H]2CCC[C@@H]21 ZINC000650759895 436022952 /nfs/dbraw/zinc/02/29/52/436022952.db2.gz SKFQLKPYEQWDBU-ZULIPRJHSA-N 2 1 313.489 3.266 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344382 436024815 /nfs/dbraw/zinc/02/48/15/436024815.db2.gz PMMXFOJHEBFIJD-AHRSYUTCSA-N 2 1 316.489 3.127 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1C ZINC000656784066 436041797 /nfs/dbraw/zinc/04/17/97/436041797.db2.gz YIMMGTCKVCYSSQ-SFHVURJKSA-N 2 1 302.462 3.215 20 0 DGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783957 436042503 /nfs/dbraw/zinc/04/25/03/436042503.db2.gz WTTOEDJMQIPOSD-SFHVURJKSA-N 2 1 309.457 3.446 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782746 436042614 /nfs/dbraw/zinc/04/26/14/436042614.db2.gz JMYZWFVURYVPJS-OAHLLOKOSA-N 2 1 319.518 3.234 20 0 DGADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656782249 436042894 /nfs/dbraw/zinc/04/28/94/436042894.db2.gz DDUIRNRLZZJAMT-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000656786287 436044326 /nfs/dbraw/zinc/04/43/26/436044326.db2.gz RVHPUIACCZMEAS-SFHVURJKSA-N 2 1 318.509 3.122 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786648 436044621 /nfs/dbraw/zinc/04/46/21/436044621.db2.gz VNAPGLBPAYJXBV-SFHVURJKSA-N 2 1 302.462 3.297 20 0 DGADMP c1sc(C2CC2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785965 436045320 /nfs/dbraw/zinc/04/53/20/436045320.db2.gz OLWICYYULRKFMD-OAHLLOKOSA-N 2 1 305.491 3.232 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)c1 ZINC000656785172 436045481 /nfs/dbraw/zinc/04/54/81/436045481.db2.gz KAFMULDBKYMFBE-IBGZPJMESA-N 2 1 324.472 3.084 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCCC1 ZINC000656789810 436047243 /nfs/dbraw/zinc/04/72/43/436047243.db2.gz ZIHPNQIGVZXIEU-UHFFFAOYSA-N 2 1 320.330 3.128 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC000656792800 436049876 /nfs/dbraw/zinc/04/98/76/436049876.db2.gz XPPQDOISJSBYJQ-GPMSIDNRSA-N 2 1 302.462 3.047 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)s1 ZINC000650707279 435995589 /nfs/dbraw/zinc/99/55/89/435995589.db2.gz CBOUAHYPHPBHNH-UAGQMJEPSA-N 2 1 308.491 3.083 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705245 435996000 /nfs/dbraw/zinc/99/60/00/435996000.db2.gz AGXWTJOBOVAUOZ-NLWGTHIKSA-N 2 1 316.489 3.330 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000650707367 435996055 /nfs/dbraw/zinc/99/60/55/435996055.db2.gz DRSYYIRNWBBXLA-IWKCEXAMSA-N 2 1 320.452 3.148 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647479505 436058809 /nfs/dbraw/zinc/05/88/09/436058809.db2.gz JRWIGZWAFWDUDF-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000647479966 436061506 /nfs/dbraw/zinc/06/15/06/436061506.db2.gz ZJSGKIZTRWCKGO-FUHWJXTLSA-N 2 1 314.473 3.364 20 0 DGADMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(C)C ZINC000647482810 436062852 /nfs/dbraw/zinc/06/28/52/436062852.db2.gz ASWQSOQOAGVHAY-UHFFFAOYSA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(C)C ZINC000647482810 436062858 /nfs/dbraw/zinc/06/28/58/436062858.db2.gz ASWQSOQOAGVHAY-UHFFFAOYSA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1SC ZINC000647482929 436063062 /nfs/dbraw/zinc/06/30/62/436063062.db2.gz KMQWGDGORMPRRM-UHFFFAOYSA-N 2 1 306.475 3.134 20 0 DGADMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1SC ZINC000647482929 436063069 /nfs/dbraw/zinc/06/30/69/436063069.db2.gz KMQWGDGORMPRRM-UHFFFAOYSA-N 2 1 306.475 3.134 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2)nc1 ZINC000647482571 436063491 /nfs/dbraw/zinc/06/34/91/436063491.db2.gz QGUMFFGEJSHUFQ-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647498860 436065630 /nfs/dbraw/zinc/06/56/30/436065630.db2.gz SFUUWOKQSNJAMD-DZGCQCFKSA-N 2 1 316.367 3.187 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647498553 436066000 /nfs/dbraw/zinc/06/60/00/436066000.db2.gz JZMFDVSALCMRCJ-LPHOPBHVSA-N 2 1 312.461 3.048 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498112 436066164 /nfs/dbraw/zinc/06/61/64/436066164.db2.gz ALAGDLOEASYWIA-HOTGVXAUSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498112 436066168 /nfs/dbraw/zinc/06/61/68/436066168.db2.gz ALAGDLOEASYWIA-HOTGVXAUSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498696 436067053 /nfs/dbraw/zinc/06/70/53/436067053.db2.gz NLWWUOJIYXPLOW-DLBZAZTESA-N 2 1 320.477 3.289 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498696 436067055 /nfs/dbraw/zinc/06/70/55/436067055.db2.gz NLWWUOJIYXPLOW-DLBZAZTESA-N 2 1 320.477 3.289 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000647514205 436070120 /nfs/dbraw/zinc/07/01/20/436070120.db2.gz PLILPINKRPTKSB-GOSISDBHSA-N 2 1 312.461 3.100 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539117 436076380 /nfs/dbraw/zinc/07/63/80/436076380.db2.gz XWOKXEAGNRKOFF-DNVCBOLYSA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539117 436076386 /nfs/dbraw/zinc/07/63/86/436076386.db2.gz XWOKXEAGNRKOFF-DNVCBOLYSA-N 2 1 318.461 3.058 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542889 436077902 /nfs/dbraw/zinc/07/79/02/436077902.db2.gz DKDIQTXKRXGKFQ-FGTMMUONSA-N 2 1 314.473 3.264 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544368 436080262 /nfs/dbraw/zinc/08/02/62/436080262.db2.gz ZMHKLCJOBBITRD-MSOLQXFVSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1ccc(OCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1C ZINC000647815264 436127006 /nfs/dbraw/zinc/12/70/06/436127006.db2.gz WPZGWBBAGOIUEN-UHFFFAOYSA-N 2 1 302.462 3.289 20 0 DGADMP CCC[N@H+]1CC[C@H](CNCc2cccc(F)c2OC(F)F)C1 ZINC000657324514 436138578 /nfs/dbraw/zinc/13/85/78/436138578.db2.gz CFSLVXPACRIWFP-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657324514 436138583 /nfs/dbraw/zinc/13/85/83/436138583.db2.gz CFSLVXPACRIWFP-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657324514 436138584 /nfs/dbraw/zinc/13/85/84/436138584.db2.gz CFSLVXPACRIWFP-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC000647877064 436139291 /nfs/dbraw/zinc/13/92/91/436139291.db2.gz HDTQZQRNROFAMG-CQSZACIVSA-N 2 1 311.267 3.269 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657337379 436145936 /nfs/dbraw/zinc/14/59/36/436145936.db2.gz SMIDGORYDKYSBS-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657337379 436145939 /nfs/dbraw/zinc/14/59/39/436145939.db2.gz SMIDGORYDKYSBS-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP c1nc2n(c1CNCc1ccc(OC3CCCC3)cc1)CCC2 ZINC000657349454 436151020 /nfs/dbraw/zinc/15/10/20/436151020.db2.gz HQUGQXMIABNHCL-UHFFFAOYSA-N 2 1 311.429 3.441 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)s2)cc1 ZINC000653279619 436151374 /nfs/dbraw/zinc/15/13/74/436151374.db2.gz UQULDKYITQJWRH-DZGCQCFKSA-N 2 1 301.459 3.430 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)s2)cc1 ZINC000653279619 436151381 /nfs/dbraw/zinc/15/13/81/436151381.db2.gz UQULDKYITQJWRH-DZGCQCFKSA-N 2 1 301.459 3.430 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cccc(Br)c2C)CC[C@@H]1[NH3+] ZINC000647934648 436153198 /nfs/dbraw/zinc/15/31/98/436153198.db2.gz LICLRURFTULVEE-DOMZBBRYSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2C)CC[C@@H]1[NH3+] ZINC000647934648 436153202 /nfs/dbraw/zinc/15/32/02/436153202.db2.gz LICLRURFTULVEE-DOMZBBRYSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CO1 ZINC000657365556 436159480 /nfs/dbraw/zinc/15/94/80/436159480.db2.gz IAENURROJNCKMW-AYOQOUSVSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CO1 ZINC000657365558 436160987 /nfs/dbraw/zinc/16/09/87/436160987.db2.gz IAENURROJNCKMW-ZYSHUDEJSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H]1C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@@H]1[NH3+] ZINC000647939858 436154929 /nfs/dbraw/zinc/15/49/29/436154929.db2.gz CPYMMFGVFNIJPY-WMZOPIPTSA-N 2 1 302.462 3.374 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@@H]1[NH3+] ZINC000647939858 436154932 /nfs/dbraw/zinc/15/49/32/436154932.db2.gz CPYMMFGVFNIJPY-WMZOPIPTSA-N 2 1 302.462 3.374 20 0 DGADMP COCc1csc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000657387075 436173723 /nfs/dbraw/zinc/17/37/23/436173723.db2.gz POULSZAXKPJWNS-UHFFFAOYSA-N 2 1 308.491 3.391 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657416179 436187953 /nfs/dbraw/zinc/18/79/53/436187953.db2.gz RAUWJSPAPPKKEE-FRYIKTPZSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000657533065 436236830 /nfs/dbraw/zinc/23/68/30/436236830.db2.gz NZMSUKPZQHJMCE-QGZVFWFLSA-N 2 1 309.457 3.439 20 0 DGADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2noc3ccccc23)C1 ZINC000653551962 436201365 /nfs/dbraw/zinc/20/13/65/436201365.db2.gz BWLDPUIMIAPVJO-HNNXBMFYSA-N 2 1 310.401 3.212 20 0 DGADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2noc3ccccc23)C1 ZINC000653551962 436201369 /nfs/dbraw/zinc/20/13/69/436201369.db2.gz BWLDPUIMIAPVJO-HNNXBMFYSA-N 2 1 310.401 3.212 20 0 DGADMP CC(C)[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648072108 436204322 /nfs/dbraw/zinc/20/43/22/436204322.db2.gz LVXYMDZYNBUMMJ-IBGZPJMESA-N 2 1 316.489 3.223 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602303 436221993 /nfs/dbraw/zinc/22/19/93/436221993.db2.gz YISSYAAYTUQUOQ-DLBZAZTESA-N 2 1 310.457 3.205 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602303 436221996 /nfs/dbraw/zinc/22/19/96/436221996.db2.gz YISSYAAYTUQUOQ-DLBZAZTESA-N 2 1 310.457 3.205 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562251 436246401 /nfs/dbraw/zinc/24/64/01/436246401.db2.gz LTQWVJFPRHIIKQ-NEWSRXKRSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562251 436246404 /nfs/dbraw/zinc/24/64/04/436246404.db2.gz LTQWVJFPRHIIKQ-NEWSRXKRSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657562251 436246408 /nfs/dbraw/zinc/24/64/08/436246408.db2.gz LTQWVJFPRHIIKQ-NEWSRXKRSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657562251 436246411 /nfs/dbraw/zinc/24/64/11/436246411.db2.gz LTQWVJFPRHIIKQ-NEWSRXKRSA-N 2 1 315.505 3.284 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705129 436249352 /nfs/dbraw/zinc/24/93/52/436249352.db2.gz RGJKZIBFEIBRJS-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705129 436249357 /nfs/dbraw/zinc/24/93/57/436249357.db2.gz RGJKZIBFEIBRJS-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705129 436249361 /nfs/dbraw/zinc/24/93/61/436249361.db2.gz RGJKZIBFEIBRJS-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000653705129 436249366 /nfs/dbraw/zinc/24/93/66/436249366.db2.gz RGJKZIBFEIBRJS-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC3CCCCCC3)cc2)C1 ZINC000657594234 436257833 /nfs/dbraw/zinc/25/78/33/436257833.db2.gz HCHZERIEPHJCAU-FQEVSTJZSA-N 2 1 316.489 3.313 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657619895 436263239 /nfs/dbraw/zinc/26/32/39/436263239.db2.gz WDRHDINMDPWCIZ-OIISXLGYSA-N 2 1 324.415 3.053 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000657619895 436263244 /nfs/dbraw/zinc/26/32/44/436263244.db2.gz WDRHDINMDPWCIZ-OIISXLGYSA-N 2 1 324.415 3.053 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]CC([NH3+])(CC)CC)ccc1OC ZINC000666753661 436275699 /nfs/dbraw/zinc/27/56/99/436275699.db2.gz ODLHNTOXQRYCAJ-CQSZACIVSA-N 2 1 308.466 3.480 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662211147 436302290 /nfs/dbraw/zinc/30/22/90/436302290.db2.gz CUPDBSDJLJFLGY-GOSISDBHSA-N 2 1 312.457 3.411 20 0 DGADMP COc1cccc(SCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000662236516 436309111 /nfs/dbraw/zinc/30/91/11/436309111.db2.gz YZFSZPYPMPLSOX-UHFFFAOYSA-N 2 1 306.475 3.004 20 0 DGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666930237 436309374 /nfs/dbraw/zinc/30/93/74/436309374.db2.gz GYQPMJSNCGFIJF-KBPBESRZSA-N 2 1 302.393 3.230 20 0 DGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666930240 436309598 /nfs/dbraw/zinc/30/95/98/436309598.db2.gz GYQPMJSNCGFIJF-ZIAGYGMSSA-N 2 1 302.393 3.230 20 0 DGADMP Fc1cccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662252535 436313464 /nfs/dbraw/zinc/31/34/64/436313464.db2.gz PVDHGDYCJSJBHY-SFHVURJKSA-N 2 1 318.436 3.091 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000662256359 436313672 /nfs/dbraw/zinc/31/36/72/436313672.db2.gz IPYZJENGTKULSL-LJQANCHMSA-N 2 1 314.473 3.256 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000662257974 436314750 /nfs/dbraw/zinc/31/47/50/436314750.db2.gz UDJZTWXDHIGYCG-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000662257974 436314755 /nfs/dbraw/zinc/31/47/55/436314755.db2.gz UDJZTWXDHIGYCG-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP c1ccc(N2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000662261397 436317129 /nfs/dbraw/zinc/31/71/29/436317129.db2.gz XIBMUSPLRQGWLP-UHFFFAOYSA-N 2 1 321.468 3.045 20 0 DGADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270408 436319724 /nfs/dbraw/zinc/31/97/24/436319724.db2.gz KMWKDAIWQDFGNJ-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270408 436319726 /nfs/dbraw/zinc/31/97/26/436319726.db2.gz KMWKDAIWQDFGNJ-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000666992948 436321181 /nfs/dbraw/zinc/32/11/81/436321181.db2.gz LMNQPHXXNPGPOV-HIFRSBDPSA-N 2 1 323.868 3.097 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998317 436321847 /nfs/dbraw/zinc/32/18/47/436321847.db2.gz NOSWUKFTRDBJNH-KRWDZBQOSA-N 2 1 300.446 3.240 20 0 DGADMP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(F)F ZINC000666997073 436322784 /nfs/dbraw/zinc/32/27/84/436322784.db2.gz VTAGVEXWKRCHGV-GFCCVEGCSA-N 2 1 314.351 3.191 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000662285825 436324159 /nfs/dbraw/zinc/32/41/59/436324159.db2.gz NMGXNKFSPQVZMV-JJXSEGSLSA-N 2 1 316.436 3.030 20 0 DGADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298251 436326022 /nfs/dbraw/zinc/32/60/22/436326022.db2.gz UYEIWNPVATYILL-ZFWWWQNUSA-N 2 1 320.481 3.140 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294572 436326466 /nfs/dbraw/zinc/32/64/66/436326466.db2.gz QXQIWUCGCIVAJX-LJQANCHMSA-N 2 1 316.489 3.339 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1F ZINC000662305603 436327958 /nfs/dbraw/zinc/32/79/58/436327958.db2.gz KVDRFHUXMOOEND-QGZVFWFLSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)[C@@H]1CCC[NH3+] ZINC000662317046 436328489 /nfs/dbraw/zinc/32/84/89/436328489.db2.gz YXYUXAVKJAZQGZ-RDTXWAMCSA-N 2 1 313.445 3.280 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)[C@@H]1CCC[NH3+] ZINC000662318394 436328564 /nfs/dbraw/zinc/32/85/64/436328564.db2.gz YSUMJMCFEINEDY-VQIMIIECSA-N 2 1 312.461 3.212 20 0 DGADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CCCCC1 ZINC000662313660 436329367 /nfs/dbraw/zinc/32/93/67/436329367.db2.gz VCPLHXKYUVBQKS-SJLPKXTDSA-N 2 1 323.525 3.007 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662321393 436330432 /nfs/dbraw/zinc/33/04/32/436330432.db2.gz HSWYQIQYXRAEAK-IBGZPJMESA-N 2 1 320.477 3.016 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662321393 436330437 /nfs/dbraw/zinc/33/04/37/436330437.db2.gz HSWYQIQYXRAEAK-IBGZPJMESA-N 2 1 320.477 3.016 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325810 436330840 /nfs/dbraw/zinc/33/08/40/436330840.db2.gz QCKZWHMHWDCXQV-IEBWSBKVSA-N 2 1 320.452 3.246 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325810 436330842 /nfs/dbraw/zinc/33/08/42/436330842.db2.gz QCKZWHMHWDCXQV-IEBWSBKVSA-N 2 1 320.452 3.246 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326282 436331051 /nfs/dbraw/zinc/33/10/51/436331051.db2.gz YMKIWOLOOORADV-KSSFIOAISA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326282 436331053 /nfs/dbraw/zinc/33/10/53/436331053.db2.gz YMKIWOLOOORADV-KSSFIOAISA-N 2 1 322.880 3.370 20 0 DGADMP C[C@H](CC[NH2+][C@H]1COC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000657900608 436336088 /nfs/dbraw/zinc/33/60/88/436336088.db2.gz RGQRLUKMWFRGDK-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CC[N@H+]3C(C)(C)C)CC2)C1 ZINC000658058823 436362138 /nfs/dbraw/zinc/36/21/38/436362138.db2.gz UUFVWXPHYOIEOU-NEWSRXKRSA-N 2 1 321.553 3.492 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000658069141 436364651 /nfs/dbraw/zinc/36/46/51/436364651.db2.gz MNGZSBSQXOBCEO-BZUAXINKSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@H]([NH2+]CC(F)(F)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000658116386 436380445 /nfs/dbraw/zinc/38/04/45/436380445.db2.gz KNDBSJOUOAGFPG-LBPRGKRZSA-N 2 1 300.368 3.237 20 0 DGADMP Cc1ccncc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658124485 436381833 /nfs/dbraw/zinc/38/18/33/436381833.db2.gz BRDQTYIMMMSGIC-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135238 436384214 /nfs/dbraw/zinc/38/42/14/436384214.db2.gz CRQXTTGQAMZHTE-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135237 436385091 /nfs/dbraw/zinc/38/50/91/436385091.db2.gz CRQXTTGQAMZHTE-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000658141166 436385895 /nfs/dbraw/zinc/38/58/95/436385895.db2.gz WSQSEMOJRFLVBF-FHWLQOOXSA-N 2 1 316.489 3.168 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658143221 436386852 /nfs/dbraw/zinc/38/68/52/436386852.db2.gz GHBBBCOCHBFYTO-RTWAWAEBSA-N 2 1 324.468 3.494 20 0 DGADMP C1COC2(C1)CCC([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658227294 436405496 /nfs/dbraw/zinc/40/54/96/436405496.db2.gz ACGKQQJGVXHVJV-HFCFLWKCSA-N 2 1 306.494 3.475 20 0 DGADMP C1COC2(C1)CCC([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658227294 436405499 /nfs/dbraw/zinc/40/54/99/436405499.db2.gz ACGKQQJGVXHVJV-HFCFLWKCSA-N 2 1 306.494 3.475 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658231055 436406355 /nfs/dbraw/zinc/40/63/55/436406355.db2.gz SBQFQIOMOHJWIL-MSOLQXFVSA-N 2 1 313.489 3.326 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658231055 436406357 /nfs/dbraw/zinc/40/63/57/436406357.db2.gz SBQFQIOMOHJWIL-MSOLQXFVSA-N 2 1 313.489 3.326 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1C ZINC000663344779 436442753 /nfs/dbraw/zinc/44/27/53/436442753.db2.gz WTSMEDSSEASEIC-GOSISDBHSA-N 2 1 302.462 3.215 20 0 DGADMP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347017 436443061 /nfs/dbraw/zinc/44/30/61/436443061.db2.gz FRNVJHCGSQZGLR-MRXNPFEDSA-N 2 1 324.415 3.500 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346921 436443765 /nfs/dbraw/zinc/44/37/65/436443765.db2.gz XQZQHEMGKGWPKT-ZWKOTPCHSA-N 2 1 314.473 3.264 20 0 DGADMP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2)cn1 ZINC000663347813 436444682 /nfs/dbraw/zinc/44/46/82/436444682.db2.gz WPXVKWWQCGYFPM-IBGZPJMESA-N 2 1 324.472 3.084 20 0 DGADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347892 436445103 /nfs/dbraw/zinc/44/51/03/436445103.db2.gz ZIRGLIRBOAWQGK-SFHVURJKSA-N 2 1 302.462 3.297 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466930 436464618 /nfs/dbraw/zinc/46/46/18/436464618.db2.gz BIYBFEBFMNJKPD-WBVHZDCISA-N 2 1 305.441 3.383 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466930 436464622 /nfs/dbraw/zinc/46/46/22/436464622.db2.gz BIYBFEBFMNJKPD-WBVHZDCISA-N 2 1 305.441 3.383 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466927 436464870 /nfs/dbraw/zinc/46/48/70/436464870.db2.gz BIYBFEBFMNJKPD-DOTOQJQBSA-N 2 1 305.441 3.383 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cn1 ZINC000663466927 436464871 /nfs/dbraw/zinc/46/48/71/436464871.db2.gz BIYBFEBFMNJKPD-DOTOQJQBSA-N 2 1 305.441 3.383 20 0 DGADMP C[C@H]([NH2+]CC(F)(F)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000658314008 436427422 /nfs/dbraw/zinc/42/74/22/436427422.db2.gz ACRJTMGDMXEFGF-LBPRGKRZSA-N 2 1 300.368 3.237 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000663498808 436470187 /nfs/dbraw/zinc/47/01/87/436470187.db2.gz GOFOERJIHBVCOX-MRXNPFEDSA-N 2 1 309.885 3.403 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000663498891 436470473 /nfs/dbraw/zinc/47/04/73/436470473.db2.gz SCQSRPQQBISQLA-OAHLLOKOSA-N 2 1 307.438 3.412 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3nsc4ccccc43)CC[C@H]21 ZINC000660010645 436577942 /nfs/dbraw/zinc/57/79/42/436577942.db2.gz KOIYPFGIVDGGGP-WMLDXEAASA-N 2 1 315.486 3.255 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3nsc4ccccc43)CC[C@H]21 ZINC000660010645 436577944 /nfs/dbraw/zinc/57/79/44/436577944.db2.gz KOIYPFGIVDGGGP-WMLDXEAASA-N 2 1 315.486 3.255 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C)nc(C)n2)CC1 ZINC000659848050 436541111 /nfs/dbraw/zinc/54/11/11/436541111.db2.gz WENAOSPGWDGOJI-UHFFFAOYSA-N 2 1 304.482 3.037 20 0 DGADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCc2ccccc21 ZINC000659858450 436545653 /nfs/dbraw/zinc/54/56/53/436545653.db2.gz DNIPRXWOUBXTCE-PKOBYXMFSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCc2ccccc21 ZINC000659858450 436545655 /nfs/dbraw/zinc/54/56/55/436545655.db2.gz DNIPRXWOUBXTCE-PKOBYXMFSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCc2ccccc21 ZINC000659858450 436545658 /nfs/dbraw/zinc/54/56/58/436545658.db2.gz DNIPRXWOUBXTCE-PKOBYXMFSA-N 2 1 304.478 3.087 20 0 DGADMP Cc1ccc([C@H]2CCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659951423 436564811 /nfs/dbraw/zinc/56/48/11/436564811.db2.gz FXOLSNQHUTYOBU-RTBURBONSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@H]2CCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659951423 436564812 /nfs/dbraw/zinc/56/48/12/436564812.db2.gz FXOLSNQHUTYOBU-RTBURBONSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951423 436564814 /nfs/dbraw/zinc/56/48/14/436564814.db2.gz FXOLSNQHUTYOBU-RTBURBONSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951423 436564815 /nfs/dbraw/zinc/56/48/15/436564815.db2.gz FXOLSNQHUTYOBU-RTBURBONSA-N 2 1 304.478 3.223 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659982073 436571432 /nfs/dbraw/zinc/57/14/32/436571432.db2.gz DSDCFXXROMEQAW-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659982073 436571434 /nfs/dbraw/zinc/57/14/34/436571434.db2.gz DSDCFXXROMEQAW-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000659982073 436571437 /nfs/dbraw/zinc/57/14/37/436571437.db2.gz DSDCFXXROMEQAW-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000659982073 436571441 /nfs/dbraw/zinc/57/14/41/436571441.db2.gz DSDCFXXROMEQAW-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP COc1cccc(SCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659984753 436575112 /nfs/dbraw/zinc/57/51/12/436575112.db2.gz SVAZGJNVDWRHIR-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659984753 436575116 /nfs/dbraw/zinc/57/51/16/436575116.db2.gz SVAZGJNVDWRHIR-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000659984753 436575118 /nfs/dbraw/zinc/57/51/18/436575118.db2.gz SVAZGJNVDWRHIR-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000659984753 436575120 /nfs/dbraw/zinc/57/51/20/436575120.db2.gz SVAZGJNVDWRHIR-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCCCC1(C)C ZINC000660119148 436591304 /nfs/dbraw/zinc/59/13/04/436591304.db2.gz YEBIFCFLXHSGKP-BRSBDYLESA-N 2 1 308.510 3.386 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660157298 436596834 /nfs/dbraw/zinc/59/68/34/436596834.db2.gz JITPCWOUJXMZFX-REPLKXPHSA-N 2 1 308.510 3.103 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212527 436606370 /nfs/dbraw/zinc/60/63/70/436606370.db2.gz LDXXNBZIVKCARF-ZSGPHXLJSA-N 2 1 324.896 3.328 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212527 436606374 /nfs/dbraw/zinc/60/63/74/436606374.db2.gz LDXXNBZIVKCARF-ZSGPHXLJSA-N 2 1 324.896 3.328 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000660304490 436620654 /nfs/dbraw/zinc/62/06/54/436620654.db2.gz FFLFGVGEQBLIAC-JXFKEZNVSA-N 2 1 309.457 3.269 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000376740331 312981384 /nfs/dbraw/zinc/98/13/84/312981384.db2.gz SYIYLWXZCUBGAI-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP Cn1cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2n1 ZINC000530219462 313341852 /nfs/dbraw/zinc/34/18/52/313341852.db2.gz PQSCMWSDMVUOBF-MOPGFXCFSA-N 2 1 320.440 3.156 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2(C)C)c1 ZINC000530230111 313344110 /nfs/dbraw/zinc/34/41/10/313344110.db2.gz CXHFOHKCBFRJGP-YJBOKZPZSA-N 2 1 302.462 3.120 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1SC ZINC000530407476 313367246 /nfs/dbraw/zinc/36/72/46/313367246.db2.gz LWXJZJGYKNWAJX-GFCCVEGCSA-N 2 1 305.447 3.044 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000530667261 313394815 /nfs/dbraw/zinc/39/48/15/313394815.db2.gz BRHZAIMALLYBFN-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530667261 313394819 /nfs/dbraw/zinc/39/48/19/313394819.db2.gz BRHZAIMALLYBFN-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530667261 313394821 /nfs/dbraw/zinc/39/48/21/313394821.db2.gz BRHZAIMALLYBFN-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531726017 313485537 /nfs/dbraw/zinc/48/55/37/313485537.db2.gz ZZKZSCRRYCQKBE-UYAOXDASSA-N 3 1 321.553 3.351 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532204853 313527005 /nfs/dbraw/zinc/52/70/05/313527005.db2.gz QXFLFYDLFRLQND-IBGZPJMESA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000541772080 314036902 /nfs/dbraw/zinc/03/69/02/314036902.db2.gz VTBTVBDYQBYHSP-KRWDZBQOSA-N 2 1 310.526 3.372 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCC[C@H](C)C1 ZINC000542085572 314056040 /nfs/dbraw/zinc/05/60/40/314056040.db2.gz LKIAVNCZPAWSHQ-ZNWBIBPKSA-N 2 1 318.505 3.375 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000542485104 314079375 /nfs/dbraw/zinc/07/93/75/314079375.db2.gz IYQMBKFLWORUDF-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3F)CC[C@H]21 ZINC000543629311 314146708 /nfs/dbraw/zinc/14/67/08/314146708.db2.gz MUYALKHXMPIZGV-UIXCXIJASA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3F)CC[C@H]21 ZINC000543629311 314146711 /nfs/dbraw/zinc/14/67/11/314146711.db2.gz MUYALKHXMPIZGV-UIXCXIJASA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3F)CC[C@H]21 ZINC000543629311 314146714 /nfs/dbraw/zinc/14/67/14/314146714.db2.gz MUYALKHXMPIZGV-UIXCXIJASA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3F)CC[C@H]21 ZINC000543629311 314146717 /nfs/dbraw/zinc/14/67/17/314146717.db2.gz MUYALKHXMPIZGV-UIXCXIJASA-N 2 1 306.400 3.394 20 0 DGADMP C[C@H]1C[NH+](CC2(C[N@@H+]3C[C@H](C)CC3(C)C)COC2)C(C)(C)C1 ZINC000543858519 314161807 /nfs/dbraw/zinc/16/18/07/314161807.db2.gz UOODUNVZXFVXCV-HZPDHXFCSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccn(C)n1 ZINC000544580232 314201058 /nfs/dbraw/zinc/20/10/58/314201058.db2.gz MVDNSUKDUKGQFR-GOSISDBHSA-N 2 1 312.461 3.257 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545274853 314240421 /nfs/dbraw/zinc/24/04/21/314240421.db2.gz YZTXVWVJGIWHFE-UHFFFAOYSA-N 2 1 306.498 3.325 20 0 DGADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000562578737 315032411 /nfs/dbraw/zinc/03/24/11/315032411.db2.gz VQBGHPAQMBQAFN-LTFPLMDUSA-N 2 1 314.473 3.054 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CCCCC1 ZINC000562744321 315049908 /nfs/dbraw/zinc/04/99/08/315049908.db2.gz LJFFYZBVGYCLFM-UHFFFAOYSA-N 2 1 304.463 3.024 20 0 DGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563350453 315104716 /nfs/dbraw/zinc/10/47/16/315104716.db2.gz NPWIMTCDGJHAOB-HOCLYGCPSA-N 2 1 301.409 3.370 20 0 DGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563350453 315104719 /nfs/dbraw/zinc/10/47/19/315104719.db2.gz NPWIMTCDGJHAOB-HOCLYGCPSA-N 2 1 301.409 3.370 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000563969222 315151230 /nfs/dbraw/zinc/15/12/30/315151230.db2.gz NAOUSGREPFCMKG-CQSZACIVSA-N 2 1 317.433 3.029 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000564327374 315169772 /nfs/dbraw/zinc/16/97/72/315169772.db2.gz ZSAMHUGEGTWEJK-SUMWQHHRSA-N 2 1 306.498 3.027 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000564327374 315169773 /nfs/dbraw/zinc/16/97/73/315169773.db2.gz ZSAMHUGEGTWEJK-SUMWQHHRSA-N 2 1 306.498 3.027 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cnn1-c1ccc(F)cc1 ZINC000564440496 315176361 /nfs/dbraw/zinc/17/63/61/315176361.db2.gz NSHLHNSMVVXWQL-CQSZACIVSA-N 2 1 318.440 3.359 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCC(C)C ZINC000564466165 315177849 /nfs/dbraw/zinc/17/78/49/315177849.db2.gz ZJPFKAZIFOQAID-RDJZCZTQSA-N 2 1 320.477 3.432 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCC(C)C ZINC000564466165 315177850 /nfs/dbraw/zinc/17/78/50/315177850.db2.gz ZJPFKAZIFOQAID-RDJZCZTQSA-N 2 1 320.477 3.432 20 0 DGADMP O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000564698825 315192185 /nfs/dbraw/zinc/19/21/85/315192185.db2.gz BTXONDMGSNPGQL-KRWDZBQOSA-N 2 1 324.428 3.396 20 0 DGADMP O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000564698825 315192187 /nfs/dbraw/zinc/19/21/87/315192187.db2.gz BTXONDMGSNPGQL-KRWDZBQOSA-N 2 1 324.428 3.396 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@H]2CCC[C@H]21 ZINC000564735153 315196344 /nfs/dbraw/zinc/19/63/44/315196344.db2.gz OQPOIGAVHNJSMN-FGTMMUONSA-N 2 1 302.462 3.306 20 0 DGADMP Cc1cc(C[N@@H+](C)CCC[NH3+])cc(C)c1OCc1ccccn1 ZINC000564968806 315215536 /nfs/dbraw/zinc/21/55/36/315215536.db2.gz HMNVUNUCMGNDLG-UHFFFAOYSA-N 2 1 313.445 3.058 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000565259976 315248076 /nfs/dbraw/zinc/24/80/76/315248076.db2.gz RMYVEYLMZYWNOL-ZCNNSNEGSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000565259976 315248077 /nfs/dbraw/zinc/24/80/77/315248077.db2.gz RMYVEYLMZYWNOL-ZCNNSNEGSA-N 2 1 316.489 3.353 20 0 DGADMP CC1=CC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000565553237 315270676 /nfs/dbraw/zinc/27/06/76/315270676.db2.gz CPENVGIBPPMWRV-SJORKVTESA-N 2 1 319.518 3.125 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417301 315342669 /nfs/dbraw/zinc/34/26/69/315342669.db2.gz XBFUJWRZCOUNKK-DLBZAZTESA-N 2 1 310.869 3.083 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417301 315342673 /nfs/dbraw/zinc/34/26/73/315342673.db2.gz XBFUJWRZCOUNKK-DLBZAZTESA-N 2 1 310.869 3.083 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000566416894 315342852 /nfs/dbraw/zinc/34/28/52/315342852.db2.gz UDHIWUOIORCQGW-INIZCTEOSA-N 2 1 310.869 3.012 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000566416894 315342853 /nfs/dbraw/zinc/34/28/53/315342853.db2.gz UDHIWUOIORCQGW-INIZCTEOSA-N 2 1 310.869 3.012 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000567086074 315395447 /nfs/dbraw/zinc/39/54/47/315395447.db2.gz XTMPGKWKNOLVFU-AWEZNQCLSA-N 2 1 301.409 3.194 20 0 DGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)ccc1OC ZINC000573980417 315920182 /nfs/dbraw/zinc/92/01/82/315920182.db2.gz KFOZYXWGHTZVSZ-OAHLLOKOSA-N 2 1 307.825 3.366 20 0 DGADMP Cc1cccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506656 316137101 /nfs/dbraw/zinc/13/71/01/316137101.db2.gz SEGCVURRSQIFGV-QZTJIDSGSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1cccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506656 316137106 /nfs/dbraw/zinc/13/71/06/316137106.db2.gz SEGCVURRSQIFGV-QZTJIDSGSA-N 2 1 304.478 3.127 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCOC2)CC1)CC(C)C ZINC000576984667 316188979 /nfs/dbraw/zinc/18/89/79/316188979.db2.gz OXXSGKHCTJGPRM-IBGZPJMESA-N 2 1 310.526 3.493 20 0 DGADMP Clc1ccc(Br)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000577078729 316200657 /nfs/dbraw/zinc/20/06/57/316200657.db2.gz NVNMOGZGKWCASD-LBPRGKRZSA-N 2 1 317.658 3.334 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267796 316219495 /nfs/dbraw/zinc/21/94/95/316219495.db2.gz GDGASVDSOQOSBY-RTBURBONSA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267796 316219498 /nfs/dbraw/zinc/21/94/98/316219498.db2.gz GDGASVDSOQOSBY-RTBURBONSA-N 2 1 322.456 3.108 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000577739743 316266326 /nfs/dbraw/zinc/26/63/26/316266326.db2.gz IWGCOUIHAVVXJT-QWHCGFSZSA-N 2 1 314.376 3.046 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3(O)CCCC3)C2)s1 ZINC000578016975 316294741 /nfs/dbraw/zinc/29/47/41/316294741.db2.gz QUZZVYXZXJIWEQ-MRXNPFEDSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3(O)CCCC3)C2)s1 ZINC000578016975 316294745 /nfs/dbraw/zinc/29/47/45/316294745.db2.gz QUZZVYXZXJIWEQ-MRXNPFEDSA-N 2 1 322.518 3.115 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3(O)CCCC3)C2)s1 ZINC000578016975 316294749 /nfs/dbraw/zinc/29/47/49/316294749.db2.gz QUZZVYXZXJIWEQ-MRXNPFEDSA-N 2 1 322.518 3.115 20 0 DGADMP CC(C)OC(=O)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000181834883 323271895 /nfs/dbraw/zinc/27/18/95/323271895.db2.gz WHLNOKTVLLTSGA-QZTJIDSGSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)OC(=O)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000181834883 323271898 /nfs/dbraw/zinc/27/18/98/323271898.db2.gz WHLNOKTVLLTSGA-QZTJIDSGSA-N 2 1 318.461 3.143 20 0 DGADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000181989837 323278761 /nfs/dbraw/zinc/27/87/61/323278761.db2.gz FXUVPGHHNGTCGW-VQIMIIECSA-N 2 1 318.461 3.229 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2nccn2C)c1 ZINC000182659804 323307291 /nfs/dbraw/zinc/30/72/91/323307291.db2.gz ASHCSRXUGYSCKL-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000182659804 323307293 /nfs/dbraw/zinc/30/72/93/323307293.db2.gz ASHCSRXUGYSCKL-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000182659804 323307295 /nfs/dbraw/zinc/30/72/95/323307295.db2.gz ASHCSRXUGYSCKL-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCn2ccnc2)C12CCCCC2 ZINC000183181405 323328728 /nfs/dbraw/zinc/32/87/28/323328728.db2.gz VLNWYUZJBCTTGR-IRXDYDNUSA-N 2 1 305.466 3.333 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000581099867 324074277 /nfs/dbraw/zinc/07/42/77/324074277.db2.gz JDNOHVZSOURHPN-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000581099867 324074283 /nfs/dbraw/zinc/07/42/83/324074283.db2.gz JDNOHVZSOURHPN-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP CC[C@H](c1ccccc1OC)[N@H+](C)CCCc1c[nH+]cn1C ZINC000581377814 324112379 /nfs/dbraw/zinc/11/23/79/324112379.db2.gz PRJLUWMVOCTAIN-QGZVFWFLSA-N 2 1 301.434 3.444 20 0 DGADMP CC[C@H](c1ccccc1OC)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000581377814 324112382 /nfs/dbraw/zinc/11/23/82/324112382.db2.gz PRJLUWMVOCTAIN-QGZVFWFLSA-N 2 1 301.434 3.444 20 0 DGADMP CC[NH2+]CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000583018736 324302397 /nfs/dbraw/zinc/30/23/97/324302397.db2.gz MPNXZBCZZJXHDK-UHFFFAOYSA-N 3 1 303.494 3.019 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000583075517 324310018 /nfs/dbraw/zinc/31/00/18/324310018.db2.gz MOBRMUXTPOHZPV-KFWWJZLASA-N 2 1 322.415 3.196 20 0 DGADMP CC1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000583137973 324317458 /nfs/dbraw/zinc/31/74/58/324317458.db2.gz YQPAQZSDCGIEBR-ROUUACIJSA-N 2 1 316.493 3.068 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000583372045 324344763 /nfs/dbraw/zinc/34/47/63/324344763.db2.gz BKHYWQVUOSXUOI-SCTDSRPQSA-N 2 1 316.489 3.338 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000583467642 324357093 /nfs/dbraw/zinc/35/70/93/324357093.db2.gz LDWLKBBSGKVPDR-RDJZCZTQSA-N 2 1 322.468 3.333 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000583467640 324357337 /nfs/dbraw/zinc/35/73/37/324357337.db2.gz LDWLKBBSGKVPDR-DOTOQJQBSA-N 2 1 322.468 3.333 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000584176819 331855282 /nfs/dbraw/zinc/85/52/82/331855282.db2.gz XRSHZJXXVYYMIQ-UHFFFAOYSA-N 2 1 307.488 3.432 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000292797696 533743438 /nfs/dbraw/zinc/74/34/38/533743438.db2.gz NDGLMQVPGDATBR-DNVCBOLYSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292797696 533743446 /nfs/dbraw/zinc/74/34/46/533743446.db2.gz NDGLMQVPGDATBR-DNVCBOLYSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000292797696 533743452 /nfs/dbraw/zinc/74/34/52/533743452.db2.gz NDGLMQVPGDATBR-DNVCBOLYSA-N 2 1 320.452 3.041 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413225 533818476 /nfs/dbraw/zinc/81/84/76/533818476.db2.gz FQYVWEYXCFZOCS-RTBURBONSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413225 533818484 /nfs/dbraw/zinc/81/84/84/533818484.db2.gz FQYVWEYXCFZOCS-RTBURBONSA-N 2 1 318.505 3.407 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415051683 533958489 /nfs/dbraw/zinc/95/84/89/533958489.db2.gz MKQJTKJCHYNACV-PZFPIALWSA-N 2 1 300.446 3.172 20 0 DGADMP COc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084185 534047627 /nfs/dbraw/zinc/04/76/27/534047627.db2.gz OKEGVZRKGNCRON-OALUTQOASA-N 2 1 310.441 3.321 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2)n1 ZINC000443059633 534096619 /nfs/dbraw/zinc/09/66/19/534096619.db2.gz NJVKCYKUQMJVMJ-QGZVFWFLSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000295019048 534202750 /nfs/dbraw/zinc/20/27/50/534202750.db2.gz NAOBJPZLUYRBBC-AYHJJNSGSA-N 2 1 310.445 3.100 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000415144250 534230792 /nfs/dbraw/zinc/23/07/92/534230792.db2.gz UFYORXPYDIBSJE-YWPYICTPSA-N 2 1 311.267 3.110 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCCC1 ZINC000414836731 534550241 /nfs/dbraw/zinc/55/02/41/534550241.db2.gz GFBHJOSVWRIQHJ-UHFFFAOYSA-N 2 1 318.852 3.481 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000163291695 521711469 /nfs/dbraw/zinc/71/14/69/521711469.db2.gz NUYCUIVVNFJEID-FUHWJXTLSA-N 2 1 302.462 3.449 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428042871 534631662 /nfs/dbraw/zinc/63/16/62/534631662.db2.gz DRLNFCSVMFUVFA-ABAIWWIYSA-N 2 1 315.244 3.056 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428042871 534631667 /nfs/dbraw/zinc/63/16/67/534631667.db2.gz DRLNFCSVMFUVFA-ABAIWWIYSA-N 2 1 315.244 3.056 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000442933024 534653446 /nfs/dbraw/zinc/65/34/46/534653446.db2.gz ZJKHOPHGBKJMIC-CYBMUJFWSA-N 2 1 318.852 3.291 20 0 DGADMP COc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157515055 523950364 /nfs/dbraw/zinc/95/03/64/523950364.db2.gz JXDVVMCDTPVKBG-SFHVURJKSA-N 2 1 302.462 3.188 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000415044694 526697248 /nfs/dbraw/zinc/69/72/48/526697248.db2.gz AZBINYNXCIBSFV-LBPRGKRZSA-N 2 1 306.784 3.404 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000435625754 527168269 /nfs/dbraw/zinc/16/82/69/527168269.db2.gz MHXPQRCXTDZUJN-KRWDZBQOSA-N 2 1 302.462 3.388 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000435625754 527168275 /nfs/dbraw/zinc/16/82/75/527168275.db2.gz MHXPQRCXTDZUJN-KRWDZBQOSA-N 2 1 302.462 3.388 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(CO)c2)c1 ZINC000305671536 527846743 /nfs/dbraw/zinc/84/67/43/527846743.db2.gz XIJKXIZSSGPDFH-INIZCTEOSA-N 2 1 312.457 3.481 20 0 DGADMP CC(C)CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccoc1 ZINC000428224353 527847208 /nfs/dbraw/zinc/84/72/08/527847208.db2.gz CQCCEJJDYNJLGT-IBGZPJMESA-N 2 1 321.509 3.374 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000430560251 527943028 /nfs/dbraw/zinc/94/30/28/527943028.db2.gz GJSATRZJUTXKGA-AWEZNQCLSA-N 2 1 304.356 3.091 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]c2cccc(F)c2n1C ZINC000443410592 528114446 /nfs/dbraw/zinc/11/44/46/528114446.db2.gz RDNDDDDEHOEGTI-CYBMUJFWSA-N 2 1 306.429 3.057 20 0 DGADMP CCC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CC[NH2+]CC1 ZINC000431097304 528129622 /nfs/dbraw/zinc/12/96/22/528129622.db2.gz MNNHXIRXWCUKIN-UHFFFAOYSA-N 2 1 317.408 3.445 20 0 DGADMP CCC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CC[NH2+]CC1 ZINC000431097304 528129626 /nfs/dbraw/zinc/12/96/26/528129626.db2.gz MNNHXIRXWCUKIN-UHFFFAOYSA-N 2 1 317.408 3.445 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438103166 528149448 /nfs/dbraw/zinc/14/94/48/528149448.db2.gz XNCOQPRTIGPOTQ-LPHOPBHVSA-N 2 1 322.468 3.362 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000435383362 528232823 /nfs/dbraw/zinc/23/28/23/528232823.db2.gz HPWHFQXRUVGIOZ-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000435383362 528232826 /nfs/dbraw/zinc/23/28/26/528232826.db2.gz HPWHFQXRUVGIOZ-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780661 528250636 /nfs/dbraw/zinc/25/06/36/528250636.db2.gz LUPBWIOYSUGQEB-SJORKVTESA-N 2 1 302.462 3.295 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1O ZINC000297354647 528276776 /nfs/dbraw/zinc/27/67/76/528276776.db2.gz FJQQPHPMUYXHQW-KRWDZBQOSA-N 2 1 320.477 3.249 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1O ZINC000297354653 528278683 /nfs/dbraw/zinc/27/86/83/528278683.db2.gz FJQQPHPMUYXHQW-QGZVFWFLSA-N 2 1 320.477 3.249 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415927578 528357871 /nfs/dbraw/zinc/35/78/71/528357871.db2.gz DBFDFRLPRKQYHU-HNNXBMFYSA-N 2 1 320.481 3.038 20 0 DGADMP CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424380528 528432045 /nfs/dbraw/zinc/43/20/45/528432045.db2.gz PVESSDITCLDGFS-HNNXBMFYSA-N 2 1 318.461 3.058 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCC ZINC000442924294 528662358 /nfs/dbraw/zinc/66/23/58/528662358.db2.gz SEHQIURCQPKJMA-INIZCTEOSA-N 2 1 320.477 3.435 20 0 DGADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428303095 528720324 /nfs/dbraw/zinc/72/03/24/528720324.db2.gz OJOFSMIZQVZPTR-OAHLLOKOSA-N 2 1 316.449 3.124 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428303095 528720327 /nfs/dbraw/zinc/72/03/27/528720327.db2.gz OJOFSMIZQVZPTR-OAHLLOKOSA-N 2 1 316.449 3.124 20 0 DGADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374611 528723982 /nfs/dbraw/zinc/72/39/82/528723982.db2.gz BCQWCYGJAYBUKQ-DOTOQJQBSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374611 528723989 /nfs/dbraw/zinc/72/39/89/528723989.db2.gz BCQWCYGJAYBUKQ-DOTOQJQBSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428374611 528723995 /nfs/dbraw/zinc/72/39/95/528723995.db2.gz BCQWCYGJAYBUKQ-DOTOQJQBSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428374611 528724002 /nfs/dbraw/zinc/72/40/02/528724002.db2.gz BCQWCYGJAYBUKQ-DOTOQJQBSA-N 2 1 317.477 3.384 20 0 DGADMP CC[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435387565 528764220 /nfs/dbraw/zinc/76/42/20/528764220.db2.gz AQOBQUKRMLJYTA-GFCCVEGCSA-N 2 1 317.296 3.475 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000429230169 528862988 /nfs/dbraw/zinc/86/29/88/528862988.db2.gz KHVWMOREFPECGI-KRWDZBQOSA-N 2 1 306.498 3.032 20 0 DGADMP CCCn1ccnc1CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000429230169 528862993 /nfs/dbraw/zinc/86/29/93/528862993.db2.gz KHVWMOREFPECGI-KRWDZBQOSA-N 2 1 306.498 3.032 20 0 DGADMP CCCn1ccnc1CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000429230169 528862997 /nfs/dbraw/zinc/86/29/97/528862997.db2.gz KHVWMOREFPECGI-KRWDZBQOSA-N 2 1 306.498 3.032 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423300007 528953383 /nfs/dbraw/zinc/95/33/83/528953383.db2.gz QUEPRUSTCIIYOH-OAHLLOKOSA-N 2 1 311.420 3.041 20 0 DGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccccc1 ZINC000298120738 529003741 /nfs/dbraw/zinc/00/37/41/529003741.db2.gz PHJJPSIVCNQDOF-MOPGFXCFSA-N 2 1 302.462 3.105 20 0 DGADMP CCSc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432371411 529252287 /nfs/dbraw/zinc/25/22/87/529252287.db2.gz YPEXKWQDLUDWHD-MRXNPFEDSA-N 2 1 322.518 3.389 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449650313 536011256 /nfs/dbraw/zinc/01/12/56/536011256.db2.gz UBKXLEZOYXAKPO-NQYYFHDYSA-N 2 1 304.478 3.036 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)s1 ZINC000449567369 536057852 /nfs/dbraw/zinc/05/78/52/536057852.db2.gz SUKWULCLQNJVNV-UHFFFAOYSA-N 2 1 319.449 3.209 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](CC2CCCCC2)CC1 ZINC000472849584 536357635 /nfs/dbraw/zinc/35/76/35/536357635.db2.gz LJAIGWOSIFHYJZ-FQEVSTJZSA-N 2 1 321.553 3.449 20 0 DGADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000472849584 536357637 /nfs/dbraw/zinc/35/76/37/536357637.db2.gz LJAIGWOSIFHYJZ-FQEVSTJZSA-N 2 1 321.553 3.449 20 0 DGADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000472849584 536357641 /nfs/dbraw/zinc/35/76/41/536357641.db2.gz LJAIGWOSIFHYJZ-FQEVSTJZSA-N 2 1 321.553 3.449 20 0 DGADMP CCC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000119680733 545881978 /nfs/dbraw/zinc/88/19/78/545881978.db2.gz HSZASTCOTDJAIS-IRXDYDNUSA-N 3 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000119680733 545881984 /nfs/dbraw/zinc/88/19/84/545881984.db2.gz HSZASTCOTDJAIS-IRXDYDNUSA-N 3 1 307.526 3.103 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121246537 545895240 /nfs/dbraw/zinc/89/52/40/545895240.db2.gz RVAHHRQPTGOCQC-SFHVURJKSA-N 2 1 324.415 3.043 20 0 DGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000131377638 545956052 /nfs/dbraw/zinc/95/60/52/545956052.db2.gz JKBXZNDNPJMEPJ-HXUWFJFHSA-N 2 1 312.457 3.064 20 0 DGADMP CCCN1CCC([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000158557936 546047967 /nfs/dbraw/zinc/04/79/67/546047967.db2.gz XFYPFAQDSTWAOH-ROUUACIJSA-N 2 1 309.542 3.209 20 0 DGADMP c1cnc(OC2CCCC2)c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166142841 546093242 /nfs/dbraw/zinc/09/32/42/546093242.db2.gz SSWNJQVNTOIPLH-DLBZAZTESA-N 2 1 315.461 3.119 20 0 DGADMP c1cnc(OC2CCCC2)c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166142715 546093492 /nfs/dbraw/zinc/09/34/92/546093492.db2.gz SSWNJQVNTOIPLH-IAGOWNOFSA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000166137931 546094770 /nfs/dbraw/zinc/09/47/70/546094770.db2.gz GURBHRCZXPKWRY-IAGOWNOFSA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000166137931 546094777 /nfs/dbraw/zinc/09/47/77/546094777.db2.gz GURBHRCZXPKWRY-IAGOWNOFSA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCCC2)n1 ZINC000166137931 546094781 /nfs/dbraw/zinc/09/47/81/546094781.db2.gz GURBHRCZXPKWRY-IAGOWNOFSA-N 2 1 315.461 3.119 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(F)c1 ZINC000166807912 546095737 /nfs/dbraw/zinc/09/57/37/546095737.db2.gz VVKZGKGMQWLRHQ-GVDBMIGSSA-N 2 1 306.425 3.200 20 0 DGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000180235719 546144187 /nfs/dbraw/zinc/14/41/87/546144187.db2.gz XFNNQCXEKWBYHU-OAHLLOKOSA-N 2 1 312.461 3.281 20 0 DGADMP Cc1[nH]ncc1[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000181003987 546150136 /nfs/dbraw/zinc/15/01/36/546150136.db2.gz DPEQSNRMOSTYHI-OOHWJJMZSA-N 2 1 304.482 3.412 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252768189 546332023 /nfs/dbraw/zinc/33/20/23/546332023.db2.gz IYSQXOXGPWCIAX-BLLLJJGKSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252768189 546332028 /nfs/dbraw/zinc/33/20/28/546332028.db2.gz IYSQXOXGPWCIAX-BLLLJJGKSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000309887790 546451725 /nfs/dbraw/zinc/45/17/25/546451725.db2.gz AEBXVCNTVZMBAC-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339066848 546531707 /nfs/dbraw/zinc/53/17/07/546531707.db2.gz IENBLYMYHOBIFG-SQNIBIBYSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066848 546531703 /nfs/dbraw/zinc/53/17/03/546531703.db2.gz IENBLYMYHOBIFG-SQNIBIBYSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339066848 546531705 /nfs/dbraw/zinc/53/17/05/546531705.db2.gz IENBLYMYHOBIFG-SQNIBIBYSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339067275 546531867 /nfs/dbraw/zinc/53/18/67/546531867.db2.gz FYQPKFVEABHCOU-IKGGRYGDSA-N 2 1 316.445 3.125 20 0 DGADMP CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000339068600 546532850 /nfs/dbraw/zinc/53/28/50/546532850.db2.gz RRVLXAFBMLDDDE-QYZOEREBSA-N 2 1 307.526 3.103 20 0 DGADMP c1csc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000339068687 546533098 /nfs/dbraw/zinc/53/30/98/546533098.db2.gz MFCLAENJTNTIAO-IKGGRYGDSA-N 2 1 319.518 3.101 20 0 DGADMP C[C@H](OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339070598 546533318 /nfs/dbraw/zinc/53/33/18/546533318.db2.gz NHOFMCMOFUSHBW-UHOSZYNNSA-N 2 1 302.462 3.371 20 0 DGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000345050481 546573710 /nfs/dbraw/zinc/57/37/10/546573710.db2.gz MWAIOEJYBAZSCN-AEFFLSMTSA-N 2 1 317.477 3.154 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000353935241 546668417 /nfs/dbraw/zinc/66/84/17/546668417.db2.gz VNEYQUFXKYIGEL-NFOMZHRRSA-N 2 1 324.431 3.302 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381946788 546740157 /nfs/dbraw/zinc/74/01/57/546740157.db2.gz ZKBLXPQFDSVQKN-BTHPGYMESA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390817369 546755071 /nfs/dbraw/zinc/75/50/71/546755071.db2.gz OCHYYLYRZBFWQO-APWZRJJASA-N 2 1 310.441 3.392 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390802141 546755603 /nfs/dbraw/zinc/75/56/03/546755603.db2.gz QKIGENPCFYYFIJ-QUCCMNQESA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414138681 546780593 /nfs/dbraw/zinc/78/05/93/546780593.db2.gz HOBHJKNQUUYJBU-YRXWBPOGSA-N 2 1 302.462 3.368 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414138681 546780598 /nfs/dbraw/zinc/78/05/98/546780598.db2.gz HOBHJKNQUUYJBU-YRXWBPOGSA-N 2 1 302.462 3.368 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414929185 546789782 /nfs/dbraw/zinc/78/97/82/546789782.db2.gz RDRZDFRDJLUSFU-ROUUACIJSA-N 2 1 303.494 3.004 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414929185 546789787 /nfs/dbraw/zinc/78/97/87/546789787.db2.gz RDRZDFRDJLUSFU-ROUUACIJSA-N 3 1 303.494 3.004 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414929185 546789791 /nfs/dbraw/zinc/78/97/91/546789791.db2.gz RDRZDFRDJLUSFU-ROUUACIJSA-N 3 1 303.494 3.004 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)CC(C)C ZINC000417326224 546799400 /nfs/dbraw/zinc/79/94/00/546799400.db2.gz ASTNZYIVJAZAJS-GBESFXJTSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)CC(C)C ZINC000417326224 546799404 /nfs/dbraw/zinc/79/94/04/546799404.db2.gz ASTNZYIVJAZAJS-GBESFXJTSA-N 2 1 304.478 3.473 20 0 DGADMP C[NH+](CCCCC[N@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000451380220 546848687 /nfs/dbraw/zinc/84/86/87/546848687.db2.gz VFTHLVRYFHGVDU-UHFFFAOYSA-N 2 1 312.461 3.211 20 0 DGADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453301487 546858756 /nfs/dbraw/zinc/85/87/56/546858756.db2.gz BPNQXEKDRWACBL-DLBZAZTESA-N 2 1 315.486 3.419 20 0 DGADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453301487 546858759 /nfs/dbraw/zinc/85/87/59/546858759.db2.gz BPNQXEKDRWACBL-DLBZAZTESA-N 2 1 315.486 3.419 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000481022252 546910347 /nfs/dbraw/zinc/91/03/47/546910347.db2.gz LAIQSTUYCBHBHS-IAQYHMDHSA-N 2 1 301.261 3.466 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000453407103 546860896 /nfs/dbraw/zinc/86/08/96/546860896.db2.gz DGHNFMKZANCZSI-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000453407103 546860900 /nfs/dbraw/zinc/86/09/00/546860900.db2.gz DGHNFMKZANCZSI-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP c1nc(C2CC2)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000494931195 546936953 /nfs/dbraw/zinc/93/69/53/546936953.db2.gz QPOHMVSEUBLYIW-HNNXBMFYSA-N 2 1 305.491 3.471 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000494931195 546936960 /nfs/dbraw/zinc/93/69/60/546936960.db2.gz QPOHMVSEUBLYIW-HNNXBMFYSA-N 2 1 305.491 3.471 20 0 DGADMP c1cc(C[N@H+]2CCCc3ccccc3C2)n(-c2cc[nH+]cc2)n1 ZINC000667596224 547239502 /nfs/dbraw/zinc/23/95/02/547239502.db2.gz AVTFQXJXRCJFOA-UHFFFAOYSA-N 2 1 304.397 3.216 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)c1 ZINC000667819344 547312052 /nfs/dbraw/zinc/31/20/52/547312052.db2.gz UMFOMRHEZUOTRS-KYJSFNMBSA-N 2 1 320.502 3.117 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)c1 ZINC000667819344 547312055 /nfs/dbraw/zinc/31/20/55/547312055.db2.gz UMFOMRHEZUOTRS-KYJSFNMBSA-N 2 1 320.502 3.117 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[C@@H]1c1cccs1 ZINC000667872635 547325675 /nfs/dbraw/zinc/32/56/75/547325675.db2.gz FYTANAWPHVKRLC-KYHPRHEASA-N 2 1 320.502 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[C@@H]1c1cccs1 ZINC000667872635 547325676 /nfs/dbraw/zinc/32/56/76/547325676.db2.gz FYTANAWPHVKRLC-KYHPRHEASA-N 2 1 320.502 3.288 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000668063253 547372352 /nfs/dbraw/zinc/37/23/52/547372352.db2.gz IEKATDPVMHUUQW-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000668063253 547372355 /nfs/dbraw/zinc/37/23/55/547372355.db2.gz IEKATDPVMHUUQW-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP COCCC1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000668473289 547464300 /nfs/dbraw/zinc/46/43/00/547464300.db2.gz QAZPKXRMKCNADL-UHFFFAOYSA-N 2 1 304.478 3.113 20 0 DGADMP COCCC1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000668473289 547464303 /nfs/dbraw/zinc/46/43/03/547464303.db2.gz QAZPKXRMKCNADL-UHFFFAOYSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)C1O ZINC000668553499 547477720 /nfs/dbraw/zinc/47/77/20/547477720.db2.gz CXOCMEVETBANME-IRXDYDNUSA-N 2 1 318.505 3.093 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588313 547486012 /nfs/dbraw/zinc/48/60/12/547486012.db2.gz YCNMHNRSLIQDPC-WBVHZDCISA-N 2 1 302.462 3.320 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588313 547486015 /nfs/dbraw/zinc/48/60/15/547486015.db2.gz YCNMHNRSLIQDPC-WBVHZDCISA-N 2 1 302.462 3.320 20 0 DGADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000669540454 547650782 /nfs/dbraw/zinc/65/07/82/547650782.db2.gz NYJFCKCPJAUBSC-SXLOBPIMSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@H](C)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000670268470 547741816 /nfs/dbraw/zinc/74/18/16/547741816.db2.gz IULDYIAWZDJBBV-ZDUSSCGKSA-N 2 1 304.482 3.334 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000670268876 547742116 /nfs/dbraw/zinc/74/21/16/547742116.db2.gz GMSQVTWNVVODBK-QFBILLFUSA-N 2 1 318.505 3.415 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671746354 547824554 /nfs/dbraw/zinc/82/45/54/547824554.db2.gz SLWUODNKUWDEPB-UONOGXRCSA-N 2 1 317.433 3.304 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000672615244 547894401 /nfs/dbraw/zinc/89/44/01/547894401.db2.gz REGXLWPZBFAQBH-SIRPWMCASA-N 2 1 306.400 3.140 20 0 DGADMP Clc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000673709065 547984872 /nfs/dbraw/zinc/98/48/72/547984872.db2.gz AUDSTUHRCNCLKJ-UHFFFAOYSA-N 2 1 301.821 3.447 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000675779267 548269808 /nfs/dbraw/zinc/26/98/08/548269808.db2.gz SVRLAYHXKMLFDZ-OAHLLOKOSA-N 2 1 304.453 3.468 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880227 548283044 /nfs/dbraw/zinc/28/30/44/548283044.db2.gz CDINWIBXPKURSQ-NXHRZFHOSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880878 548283478 /nfs/dbraw/zinc/28/34/78/548283478.db2.gz IDTGYHZIPLKIJN-AZUAARDMSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000675935699 548295128 /nfs/dbraw/zinc/29/51/28/548295128.db2.gz NGRFVYBFVFDNPI-MJGOQNOKSA-N 2 1 316.489 3.098 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@H]4CCCOC4)CC[C@H]32)cc1 ZINC000675982461 548301173 /nfs/dbraw/zinc/30/11/73/548301173.db2.gz AGZVEMKQLWHYOG-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@H]4CCCOC4)CC[C@H]32)cc1 ZINC000675982461 548301175 /nfs/dbraw/zinc/30/11/75/548301175.db2.gz AGZVEMKQLWHYOG-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@H]4CCCOC4)CC[C@H]32)cc1 ZINC000675982461 548301178 /nfs/dbraw/zinc/30/11/78/548301178.db2.gz AGZVEMKQLWHYOG-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000676460775 548364321 /nfs/dbraw/zinc/36/43/21/548364321.db2.gz LFIGKPARAHJWIA-LJQANCHMSA-N 2 1 313.445 3.292 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000677981918 548588412 /nfs/dbraw/zinc/58/84/12/548588412.db2.gz KWWFDAFPIJRXMW-MOPGFXCFSA-N 2 1 313.445 3.291 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000677981918 548588415 /nfs/dbraw/zinc/58/84/15/548588415.db2.gz KWWFDAFPIJRXMW-MOPGFXCFSA-N 2 1 313.445 3.291 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000678212602 548639624 /nfs/dbraw/zinc/63/96/24/548639624.db2.gz ANOXLXMPOPEEAA-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678582276 548730486 /nfs/dbraw/zinc/73/04/86/548730486.db2.gz MVRSSTLUQPGBIA-ROUUACIJSA-N 2 1 302.462 3.405 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678580879 548730551 /nfs/dbraw/zinc/73/05/51/548730551.db2.gz OUTCWUTYEWIOCW-SJORKVTESA-N 2 1 302.462 3.189 20 0 DGADMP C[C@@H](Cc1cccs1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000678585720 548731797 /nfs/dbraw/zinc/73/17/97/548731797.db2.gz JQXDUVQPGYLJRK-INIZCTEOSA-N 2 1 322.518 3.304 20 0 DGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678586417 548731936 /nfs/dbraw/zinc/73/19/36/548731936.db2.gz ZJZIJUBLCWWJGT-SJORKVTESA-N 2 1 302.462 3.405 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@@H](OC)c2ccccc2Cl)CC1 ZINC000678772390 548761444 /nfs/dbraw/zinc/76/14/44/548761444.db2.gz MGEOGGSIZIXXEK-QGZVFWFLSA-N 2 1 310.869 3.492 20 0 DGADMP C[N@@H+]1CC=C(CNCc2c(Cl)cccc2OC(F)F)CC1 ZINC000678941105 548797246 /nfs/dbraw/zinc/79/72/46/548797246.db2.gz KUIXSIRQLGPJSV-UHFFFAOYSA-N 2 1 316.779 3.293 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000678941105 548797253 /nfs/dbraw/zinc/79/72/53/548797253.db2.gz KUIXSIRQLGPJSV-UHFFFAOYSA-N 2 1 316.779 3.293 20 0 DGADMP c1cn([C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cn1 ZINC000678983604 548806536 /nfs/dbraw/zinc/80/65/36/548806536.db2.gz SMFFLGMUVLAJTH-ZDUSSCGKSA-N 2 1 302.447 3.056 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cn1 ZINC000678983604 548806540 /nfs/dbraw/zinc/80/65/40/548806540.db2.gz SMFFLGMUVLAJTH-ZDUSSCGKSA-N 2 1 302.447 3.056 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679136043 548836197 /nfs/dbraw/zinc/83/61/97/548836197.db2.gz HYVGEFRNZMLMKC-IRXDYDNUSA-N 2 1 319.493 3.302 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCCO2)C3)cc1 ZINC000679392208 548891645 /nfs/dbraw/zinc/89/16/45/548891645.db2.gz JEVVFLPVKOAJHP-YSTOQKLRSA-N 2 1 314.473 3.341 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000679720964 548944053 /nfs/dbraw/zinc/94/40/53/548944053.db2.gz GCGJOSYBLPHFDD-MISYRCLQSA-N 2 1 324.472 3.108 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000679873472 548958963 /nfs/dbraw/zinc/95/89/63/548958963.db2.gz JKJDNZCDWYPCOA-CQSZACIVSA-N 2 1 308.470 3.273 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681220112 549177157 /nfs/dbraw/zinc/17/71/57/549177157.db2.gz JPGXPWKHDACGGC-SLFFLAALSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681220112 549177161 /nfs/dbraw/zinc/17/71/61/549177161.db2.gz JPGXPWKHDACGGC-SLFFLAALSA-N 2 1 318.505 3.284 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000681412948 549205422 /nfs/dbraw/zinc/20/54/22/549205422.db2.gz WDCSHZILDFOLOZ-ZWKOTPCHSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000681412948 549205425 /nfs/dbraw/zinc/20/54/25/549205425.db2.gz WDCSHZILDFOLOZ-ZWKOTPCHSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681412091 549205572 /nfs/dbraw/zinc/20/55/72/549205572.db2.gz DWLPOZDQAGUPPP-CEXWTWQISA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681412091 549205575 /nfs/dbraw/zinc/20/55/75/549205575.db2.gz DWLPOZDQAGUPPP-CEXWTWQISA-N 2 1 304.478 3.038 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CCc3c[nH+]cn3C)s2)cc1 ZINC000681547297 549222288 /nfs/dbraw/zinc/22/22/88/549222288.db2.gz BUBVWYCQSVJKEF-UHFFFAOYSA-N 2 1 312.442 3.184 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)o1 ZINC000683691203 549520217 /nfs/dbraw/zinc/52/02/17/549520217.db2.gz XKEZFMJRFDTCKS-GDBMZVCRSA-N 2 1 306.450 3.048 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CC3(C)CC3)cc2)C[C@H](C)O1 ZINC000683765438 549532009 /nfs/dbraw/zinc/53/20/09/549532009.db2.gz PPWORPUJRANLFN-IYBDPMFKSA-N 2 1 302.462 3.186 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3cnccc3c2)C1 ZINC000683832752 549544278 /nfs/dbraw/zinc/54/42/78/549544278.db2.gz LMOKKJJYDVMGEC-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832752 549544283 /nfs/dbraw/zinc/54/42/83/549544283.db2.gz LMOKKJJYDVMGEC-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832752 549544286 /nfs/dbraw/zinc/54/42/86/549544286.db2.gz LMOKKJJYDVMGEC-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000684373240 549621521 /nfs/dbraw/zinc/62/15/21/549621521.db2.gz PYXWWPRDLGRTCS-HZPDHXFCSA-N 2 1 317.408 3.367 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000684379302 549623366 /nfs/dbraw/zinc/62/33/66/549623366.db2.gz ZPIZIRCTIPHMLH-QRQLOZEOSA-N 2 1 308.510 3.434 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000684430456 549636966 /nfs/dbraw/zinc/63/69/66/549636966.db2.gz ZXYFSDYXTKBWCZ-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP Oc1cccc2c(N3CCC[N@H+](C4CCCC4)CC3)cc[nH+]c12 ZINC000684574337 549663467 /nfs/dbraw/zinc/66/34/67/549663467.db2.gz VSODCKSHCUQIHA-UHFFFAOYSA-N 2 1 311.429 3.395 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773372 549691716 /nfs/dbraw/zinc/69/17/16/549691716.db2.gz KKRXEQSKSLUSFW-LPHOPBHVSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773372 549691719 /nfs/dbraw/zinc/69/17/19/549691719.db2.gz KKRXEQSKSLUSFW-LPHOPBHVSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684959023 549725497 /nfs/dbraw/zinc/72/54/97/549725497.db2.gz DBGATEDLHIFZBE-FUHWJXTLSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684959023 549725502 /nfs/dbraw/zinc/72/55/02/549725502.db2.gz DBGATEDLHIFZBE-FUHWJXTLSA-N 2 1 301.478 3.417 20 0 DGADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000685420823 549756911 /nfs/dbraw/zinc/75/69/11/549756911.db2.gz MIELZHNERDIWPE-YEKRNXETSA-N 2 1 310.363 3.260 20 0 DGADMP CC(C)C(C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000685457640 549763270 /nfs/dbraw/zinc/76/32/70/549763270.db2.gz IAQHJZIXLUPCKB-SFHVURJKSA-N 2 1 309.542 3.015 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573776 549776721 /nfs/dbraw/zinc/77/67/21/549776721.db2.gz XGRCNOZCVVYKOM-GQAVTEOGSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573776 549776724 /nfs/dbraw/zinc/77/67/24/549776724.db2.gz XGRCNOZCVVYKOM-GQAVTEOGSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573776 549776725 /nfs/dbraw/zinc/77/67/25/549776725.db2.gz XGRCNOZCVVYKOM-GQAVTEOGSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573776 549776727 /nfs/dbraw/zinc/77/67/27/549776727.db2.gz XGRCNOZCVVYKOM-GQAVTEOGSA-N 2 1 322.880 3.082 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)s3)[C@@H]2C1 ZINC001658778047 1196299820 /nfs/dbraw/zinc/29/98/20/1196299820.db2.gz PQOYIEGXFWYVAH-WCQGTBRESA-N 2 1 304.381 3.197 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CN2CCCC2)c1 ZINC000735563534 574707249 /nfs/dbraw/zinc/70/72/49/574707249.db2.gz VPFKXMWMGONBKJ-VQTJNVASSA-N 2 1 316.489 3.369 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000735563534 574707254 /nfs/dbraw/zinc/70/72/54/574707254.db2.gz VPFKXMWMGONBKJ-VQTJNVASSA-N 2 1 316.489 3.369 20 0 DGADMP c1csc(-c2ccn(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)n2)c1 ZINC000738158670 574860128 /nfs/dbraw/zinc/86/01/28/574860128.db2.gz OTCSGXMBHPZMSJ-CQSZACIVSA-N 2 1 313.430 3.103 20 0 DGADMP c1csc(-c2ccn(C[N@H+]3CCC[C@@H](n4ccnc4)C3)n2)c1 ZINC000738158670 574860131 /nfs/dbraw/zinc/86/01/31/574860131.db2.gz OTCSGXMBHPZMSJ-CQSZACIVSA-N 2 1 313.430 3.103 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1occc1Br ZINC000742374086 574993420 /nfs/dbraw/zinc/99/34/20/574993420.db2.gz YGGDIOWFLREAKA-UHFFFAOYSA-N 2 1 312.211 3.117 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272026 575041412 /nfs/dbraw/zinc/04/14/12/575041412.db2.gz LYBLLAMYPOINLM-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272026 575041414 /nfs/dbraw/zinc/04/14/14/575041414.db2.gz LYBLLAMYPOINLM-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272026 575041415 /nfs/dbraw/zinc/04/14/15/575041415.db2.gz LYBLLAMYPOINLM-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272026 575041417 /nfs/dbraw/zinc/04/14/17/575041417.db2.gz LYBLLAMYPOINLM-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000743653013 575060197 /nfs/dbraw/zinc/06/01/97/575060197.db2.gz IYFABXGXESUESB-AWEZNQCLSA-N 2 1 313.272 3.434 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851776 575065456 /nfs/dbraw/zinc/06/54/56/575065456.db2.gz NGDJYVJGGXOXGI-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851776 575065458 /nfs/dbraw/zinc/06/54/58/575065458.db2.gz NGDJYVJGGXOXGI-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746494506 575455172 /nfs/dbraw/zinc/45/51/72/575455172.db2.gz IIWYCRMZCTWIOH-UYAOXDASSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000746494506 575455177 /nfs/dbraw/zinc/45/51/77/575455177.db2.gz IIWYCRMZCTWIOH-UYAOXDASSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494506 575455179 /nfs/dbraw/zinc/45/51/79/575455179.db2.gz IIWYCRMZCTWIOH-UYAOXDASSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494506 575455182 /nfs/dbraw/zinc/45/51/82/575455182.db2.gz IIWYCRMZCTWIOH-UYAOXDASSA-N 2 1 316.489 3.001 20 0 DGADMP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000740423864 576166989 /nfs/dbraw/zinc/16/69/89/576166989.db2.gz WKTCTOPPGIEFOL-WMZOPIPTSA-N 2 1 320.477 3.216 20 0 DGADMP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000740423864 576166992 /nfs/dbraw/zinc/16/69/92/576166992.db2.gz WKTCTOPPGIEFOL-WMZOPIPTSA-N 2 1 320.477 3.216 20 0 DGADMP CC[C@H](COC)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000154203066 620647036 /nfs/dbraw/zinc/64/70/36/620647036.db2.gz SJVQBGIEACLHRN-QGZVFWFLSA-N 2 1 319.493 3.302 20 0 DGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241403 620681601 /nfs/dbraw/zinc/68/16/01/620681601.db2.gz UNLHNFYRZPOJKR-HOCLYGCPSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241403 620681602 /nfs/dbraw/zinc/68/16/02/620681602.db2.gz UNLHNFYRZPOJKR-HOCLYGCPSA-N 2 1 319.880 3.434 20 0 DGADMP CC(C)C1CCC(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC000892149372 617975767 /nfs/dbraw/zinc/97/57/67/617975767.db2.gz CKNRTOFAMXTLDK-UHFFFAOYSA-N 2 1 321.553 3.161 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806136921 617740856 /nfs/dbraw/zinc/74/08/56/617740856.db2.gz DPDUFJXKIGHQLN-BXUZGUMPSA-N 2 1 304.825 3.153 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891611521 617852038 /nfs/dbraw/zinc/85/20/38/617852038.db2.gz NXSGOALXWCXCOO-UHFFFAOYSA-N 2 1 304.482 3.162 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891611521 617852042 /nfs/dbraw/zinc/85/20/42/617852042.db2.gz NXSGOALXWCXCOO-UHFFFAOYSA-N 2 1 304.482 3.162 20 0 DGADMP CC(C)CCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000891845886 617910462 /nfs/dbraw/zinc/91/04/62/617910462.db2.gz VNRWPGZNNSFJRS-KDURUIRLSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000926346388 617959539 /nfs/dbraw/zinc/95/95/39/617959539.db2.gz CCMYUYPDPIJPQA-QFBILLFUSA-N 2 1 301.478 3.399 20 0 DGADMP CSCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000892098596 617960730 /nfs/dbraw/zinc/96/07/30/617960730.db2.gz IWFLBMMYOLEYAP-GOSISDBHSA-N 2 1 304.503 3.467 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000892098596 617960736 /nfs/dbraw/zinc/96/07/36/617960736.db2.gz IWFLBMMYOLEYAP-GOSISDBHSA-N 2 1 304.503 3.467 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(n1)CCCC2 ZINC000892100429 617961354 /nfs/dbraw/zinc/96/13/54/617961354.db2.gz GKKZURBEMCOSGI-KRWDZBQOSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(n1)CCCC2 ZINC000892100429 617961356 /nfs/dbraw/zinc/96/13/56/617961356.db2.gz GKKZURBEMCOSGI-KRWDZBQOSA-N 2 1 313.489 3.187 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142468 617974624 /nfs/dbraw/zinc/97/46/24/617974624.db2.gz FYFMKCVDCHNNOB-QAPCUYQASA-N 2 1 314.473 3.174 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142468 617974627 /nfs/dbraw/zinc/97/46/27/617974627.db2.gz FYFMKCVDCHNNOB-QAPCUYQASA-N 2 1 314.473 3.174 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142468 617974630 /nfs/dbraw/zinc/97/46/30/617974630.db2.gz FYFMKCVDCHNNOB-QAPCUYQASA-N 2 1 314.473 3.174 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142468 617974632 /nfs/dbraw/zinc/97/46/32/617974632.db2.gz FYFMKCVDCHNNOB-QAPCUYQASA-N 2 1 314.473 3.174 20 0 DGADMP CC(C)[NH2+]C1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000892288598 618010744 /nfs/dbraw/zinc/01/07/44/618010744.db2.gz RQIQZAHKKSRXQO-UHFFFAOYSA-N 2 1 312.461 3.409 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926459107 618025640 /nfs/dbraw/zinc/02/56/40/618025640.db2.gz RLGAQPZXZQPUOJ-AOIWGVFYSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926459107 618025642 /nfs/dbraw/zinc/02/56/42/618025642.db2.gz RLGAQPZXZQPUOJ-AOIWGVFYSA-N 2 1 320.525 3.150 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925474420 620772105 /nfs/dbraw/zinc/77/21/05/620772105.db2.gz RAZNGCKEWLRXQZ-IAGOWNOFSA-N 2 1 315.461 3.031 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924530005 618066297 /nfs/dbraw/zinc/06/62/97/618066297.db2.gz VBRLCTUUTJVOLQ-VQTJNVASSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c2c(n1)CCCC2 ZINC000892479690 618076698 /nfs/dbraw/zinc/07/66/98/618076698.db2.gz KUIMPTHTFKVAAS-UHFFFAOYSA-N 2 1 301.478 3.231 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753755 618110033 /nfs/dbraw/zinc/11/00/33/618110033.db2.gz IXSMYENSAJXWGQ-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753755 618110035 /nfs/dbraw/zinc/11/00/35/618110035.db2.gz IXSMYENSAJXWGQ-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892584651 618113262 /nfs/dbraw/zinc/11/32/62/618113262.db2.gz NGDVOKSBIFEHOC-HNNXBMFYSA-N 2 1 304.482 3.042 20 0 DGADMP CC1CC[NH+](CCCC[NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000892588916 618113671 /nfs/dbraw/zinc/11/36/71/618113671.db2.gz KGVJATVBXDRZLO-UHFFFAOYSA-N 2 1 308.495 3.017 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892668605 618131110 /nfs/dbraw/zinc/13/11/10/618131110.db2.gz OPOVHIQFCMUINH-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892668605 618131113 /nfs/dbraw/zinc/13/11/13/618131113.db2.gz OPOVHIQFCMUINH-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)nc3c2CCCC3)C1 ZINC000892668890 618131741 /nfs/dbraw/zinc/13/17/41/618131741.db2.gz TUDDYDJVSPYGHW-MRXNPFEDSA-N 2 1 301.478 3.090 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894416315 618318934 /nfs/dbraw/zinc/31/89/34/618318934.db2.gz BILNDSIQOFQGGF-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894416315 618318939 /nfs/dbraw/zinc/31/89/39/618318939.db2.gz BILNDSIQOFQGGF-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000894478859 618350867 /nfs/dbraw/zinc/35/08/67/618350867.db2.gz FCBNLZIAVFQWOW-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc[nH+]cc2CO)CC1 ZINC000892935903 618357414 /nfs/dbraw/zinc/35/74/14/618357414.db2.gz IVCVOVOWSMZSLU-INIZCTEOSA-N 2 1 317.477 3.055 20 0 DGADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)o1 ZINC000892938890 618358042 /nfs/dbraw/zinc/35/80/42/618358042.db2.gz RXIURCGQUXIFKE-UHFFFAOYSA-N 2 1 302.418 3.420 20 0 DGADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)o1 ZINC000892938890 618358049 /nfs/dbraw/zinc/35/80/49/618358049.db2.gz RXIURCGQUXIFKE-UHFFFAOYSA-N 2 1 302.418 3.420 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)F)CC1 ZINC000894566717 618388436 /nfs/dbraw/zinc/38/84/36/618388436.db2.gz NJPAYLODQHMVJC-OAHLLOKOSA-N 2 1 312.404 3.247 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)F)CC1 ZINC000894566717 618388440 /nfs/dbraw/zinc/38/84/40/618388440.db2.gz NJPAYLODQHMVJC-OAHLLOKOSA-N 2 1 312.404 3.247 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893020982 618394634 /nfs/dbraw/zinc/39/46/34/618394634.db2.gz RMZCQRRDRHMQJA-WMZOPIPTSA-N 3 1 321.534 3.062 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893020982 618394643 /nfs/dbraw/zinc/39/46/43/618394643.db2.gz RMZCQRRDRHMQJA-WMZOPIPTSA-N 3 1 321.534 3.062 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000893027986 618396929 /nfs/dbraw/zinc/39/69/29/618396929.db2.gz BMYHNXDHURDIHR-UHFFFAOYSA-N 2 1 318.368 3.237 20 0 DGADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000925516179 618453405 /nfs/dbraw/zinc/45/34/05/618453405.db2.gz VZIMVVBTYLHQDA-QGZVFWFLSA-N 2 1 321.896 3.035 20 0 DGADMP COCc1c(C)cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000894850698 618475311 /nfs/dbraw/zinc/47/53/11/618475311.db2.gz MZPVTUCWBNNRKU-FQEVSTJZSA-N 2 1 316.489 3.286 20 0 DGADMP COCc1c(C)cc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000894850698 618475312 /nfs/dbraw/zinc/47/53/12/618475312.db2.gz MZPVTUCWBNNRKU-FQEVSTJZSA-N 2 1 316.489 3.286 20 0 DGADMP CCc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000925095153 618490655 /nfs/dbraw/zinc/49/06/55/618490655.db2.gz RINGSKYOACTHJE-IHWFROFDSA-N 2 1 316.489 3.023 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[NH+](C)C ZINC000775363386 618498203 /nfs/dbraw/zinc/49/82/03/618498203.db2.gz KELQQKDBEUZTDW-QKPAOTATSA-N 2 1 316.580 3.322 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894984890 618507613 /nfs/dbraw/zinc/50/76/13/618507613.db2.gz NADBMJMILXZENJ-ZDUSSCGKSA-N 2 1 304.459 3.428 20 0 DGADMP [NH3+]CCC[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccccc1 ZINC000925663141 618523441 /nfs/dbraw/zinc/52/34/41/618523441.db2.gz PPIJFDOSOOJRCO-ACBHZAAOSA-N 2 1 301.478 3.073 20 0 DGADMP [NH3+]CCC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000925663141 618523444 /nfs/dbraw/zinc/52/34/44/618523444.db2.gz PPIJFDOSOOJRCO-ACBHZAAOSA-N 3 1 301.478 3.073 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487203 618570268 /nfs/dbraw/zinc/57/02/68/618570268.db2.gz HYBIYTOYUFATPA-GDBMZVCRSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487203 618570271 /nfs/dbraw/zinc/57/02/71/618570271.db2.gz HYBIYTOYUFATPA-GDBMZVCRSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487205 618570418 /nfs/dbraw/zinc/57/04/18/618570418.db2.gz HYBIYTOYUFATPA-GOEBONIOSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487205 618570422 /nfs/dbraw/zinc/57/04/22/618570422.db2.gz HYBIYTOYUFATPA-GOEBONIOSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@H](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291878 618588603 /nfs/dbraw/zinc/58/86/03/618588603.db2.gz ISKOAPHTGDUUEA-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291878 618588605 /nfs/dbraw/zinc/58/86/05/618588605.db2.gz ISKOAPHTGDUUEA-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294081 618589473 /nfs/dbraw/zinc/58/94/73/618589473.db2.gz OQZSAQDBHHYBDV-HNNXBMFYSA-N 2 1 313.445 3.187 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)[NH+](C)C ZINC000895296822 618590641 /nfs/dbraw/zinc/59/06/41/618590641.db2.gz FJBTTWZALAROSU-SNVBAGLBSA-N 2 1 306.784 3.371 20 0 DGADMP Cc1cc([C@H]([NH2+]CCC(C)(C)[NH3+])c2cccnc2)ccc1F ZINC000925738271 618591316 /nfs/dbraw/zinc/59/13/16/618591316.db2.gz PRYNQINASTYCHG-KRWDZBQOSA-N 2 1 301.409 3.336 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000893566710 618604040 /nfs/dbraw/zinc/60/40/40/618604040.db2.gz GLUOYIXCTHCBFO-OALUTQOASA-N 2 1 320.452 3.319 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000925774985 618615522 /nfs/dbraw/zinc/61/55/22/618615522.db2.gz BHUVJZSMJHGDJC-PWSUYJOCSA-N 2 1 318.408 3.443 20 0 DGADMP CC(C)[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccccc1 ZINC000925845754 618644893 /nfs/dbraw/zinc/64/48/93/618644893.db2.gz QKAWAHUCFGBVLO-IBGZPJMESA-N 2 1 303.494 3.049 20 0 DGADMP COC1CCC(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000894081455 618703999 /nfs/dbraw/zinc/70/39/99/618703999.db2.gz YHRVUWZQNYJOBU-UHFFFAOYSA-N 2 1 318.461 3.438 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086603 618705940 /nfs/dbraw/zinc/70/59/40/618705940.db2.gz JTHLNQJLNPYVDA-ZDUSSCGKSA-N 2 1 304.459 3.381 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086603 618705942 /nfs/dbraw/zinc/70/59/42/618705942.db2.gz JTHLNQJLNPYVDA-ZDUSSCGKSA-N 2 1 304.459 3.381 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086603 618705944 /nfs/dbraw/zinc/70/59/44/618705944.db2.gz JTHLNQJLNPYVDA-ZDUSSCGKSA-N 2 1 304.459 3.381 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086603 618705946 /nfs/dbraw/zinc/70/59/46/618705946.db2.gz JTHLNQJLNPYVDA-ZDUSSCGKSA-N 2 1 304.459 3.381 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C\c1cccc(F)c1 ZINC000894094541 618708118 /nfs/dbraw/zinc/70/81/18/618708118.db2.gz LXRWHNGIMADGAA-XVZJECBJSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C\c1cccc(F)c1 ZINC000894094541 618708119 /nfs/dbraw/zinc/70/81/19/618708119.db2.gz LXRWHNGIMADGAA-XVZJECBJSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CCOc2c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cccc21 ZINC000894116361 618713880 /nfs/dbraw/zinc/71/38/80/618713880.db2.gz HLOQPMXZUHBCGB-KRWWSPQJSA-N 2 1 315.461 3.109 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000894181129 618725060 /nfs/dbraw/zinc/72/50/60/618725060.db2.gz VFDIQSHJSFDIRD-AWEZNQCLSA-N 2 1 316.449 3.133 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894194218 618726853 /nfs/dbraw/zinc/72/68/53/618726853.db2.gz NUMBVIVOEUIHDZ-UHFFFAOYSA-N 2 1 301.415 3.292 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000877576292 618727392 /nfs/dbraw/zinc/72/73/92/618727392.db2.gz ISOQTIPJYKAPPP-XOBRGWDASA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000877576292 618727393 /nfs/dbraw/zinc/72/73/93/618727393.db2.gz ISOQTIPJYKAPPP-XOBRGWDASA-N 2 1 304.415 3.173 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)c1 ZINC000924956648 618748990 /nfs/dbraw/zinc/74/89/90/618748990.db2.gz AOGJZGUSZKXJGW-RTBURBONSA-N 2 1 304.478 3.289 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959222 618749808 /nfs/dbraw/zinc/74/98/08/618749808.db2.gz JCZPCRQMORTXTF-SJLPKXTDSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959222 618749810 /nfs/dbraw/zinc/74/98/10/618749810.db2.gz JCZPCRQMORTXTF-SJLPKXTDSA-N 2 1 318.509 3.454 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894323418 618764229 /nfs/dbraw/zinc/76/42/29/618764229.db2.gz GJZBZUHTYIRPCN-SJLPKXTDSA-N 2 1 324.472 3.115 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894323418 618764230 /nfs/dbraw/zinc/76/42/30/618764230.db2.gz GJZBZUHTYIRPCN-SJLPKXTDSA-N 2 1 324.472 3.115 20 0 DGADMP Cc1ncoc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000894358871 618771614 /nfs/dbraw/zinc/77/16/14/618771614.db2.gz JZBNPGFPVXWNER-YJBOKZPZSA-N 2 1 313.445 3.373 20 0 DGADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000894376244 618774166 /nfs/dbraw/zinc/77/41/66/618774166.db2.gz RDFULIDDHLUXLO-RTBURBONSA-N 2 1 307.526 3.129 20 0 DGADMP COCc1csc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000895556748 618798714 /nfs/dbraw/zinc/79/87/14/618798714.db2.gz JQRBRJDYQDTFHC-CQSZACIVSA-N 2 1 317.458 3.000 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1c1cc[nH+]cc1 ZINC000895558744 618799001 /nfs/dbraw/zinc/79/90/01/618799001.db2.gz ZTHCYAMTQOOYOO-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCN1c1cc[nH+]cc1 ZINC000895558425 618799049 /nfs/dbraw/zinc/79/90/49/618799049.db2.gz WTTWAWZGNIAGMH-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000895669728 618816101 /nfs/dbraw/zinc/81/61/01/618816101.db2.gz FTDNRYAXODYHBH-QGZVFWFLSA-N 2 1 317.477 3.340 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000895669728 618816104 /nfs/dbraw/zinc/81/61/04/618816104.db2.gz FTDNRYAXODYHBH-QGZVFWFLSA-N 2 1 317.477 3.340 20 0 DGADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]1C ZINC000925132640 618898714 /nfs/dbraw/zinc/89/87/14/618898714.db2.gz ARTSICUNPAEFCV-MDLJMBGESA-N 2 1 308.491 3.144 20 0 DGADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]1C ZINC000925132640 618898717 /nfs/dbraw/zinc/89/87/17/618898717.db2.gz ARTSICUNPAEFCV-MDLJMBGESA-N 2 1 308.491 3.144 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cccnc1 ZINC000896720661 618948406 /nfs/dbraw/zinc/94/84/06/618948406.db2.gz INCZXCMJTFDHJL-FXAWDEMLSA-N 2 1 309.457 3.394 20 0 DGADMP Cc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925207944 619075022 /nfs/dbraw/zinc/07/50/22/619075022.db2.gz NCQHTRSGKITLTQ-LJQANCHMSA-N 2 1 304.478 3.129 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCCCCOc3ccccc3)C[C@]2(C)C1 ZINC000897621474 619167690 /nfs/dbraw/zinc/16/76/90/619167690.db2.gz CJCUPTWZMMDSDW-MJGOQNOKSA-N 2 1 302.462 3.119 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCCCOc3ccccc3)C[C@]2(C)C1 ZINC000897621474 619167692 /nfs/dbraw/zinc/16/76/92/619167692.db2.gz CJCUPTWZMMDSDW-MJGOQNOKSA-N 2 1 302.462 3.119 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCCOc3ccccc3)C[C@]2(C)C1 ZINC000897621474 619167694 /nfs/dbraw/zinc/16/76/94/619167694.db2.gz CJCUPTWZMMDSDW-MJGOQNOKSA-N 2 1 302.462 3.119 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620477 619168080 /nfs/dbraw/zinc/16/80/80/619168080.db2.gz POZAANMVDDUWNV-JEVVPTFCSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620477 619168083 /nfs/dbraw/zinc/16/80/83/619168083.db2.gz POZAANMVDDUWNV-JEVVPTFCSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897620477 619168084 /nfs/dbraw/zinc/16/80/84/619168084.db2.gz POZAANMVDDUWNV-JEVVPTFCSA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897620477 619168085 /nfs/dbraw/zinc/16/80/85/619168085.db2.gz POZAANMVDDUWNV-JEVVPTFCSA-N 2 1 314.473 3.120 20 0 DGADMP OCCC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000898014503 619205546 /nfs/dbraw/zinc/20/55/46/619205546.db2.gz CVKRPTPUFAGTRZ-GFFQMZFXSA-N 2 1 314.473 3.105 20 0 DGADMP OCCC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000898014503 619205548 /nfs/dbraw/zinc/20/55/48/619205548.db2.gz CVKRPTPUFAGTRZ-GFFQMZFXSA-N 2 1 314.473 3.105 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC000898380844 619240841 /nfs/dbraw/zinc/24/08/41/619240841.db2.gz WGJNQWGJNZABTH-BKTGTZMESA-N 2 1 311.429 3.256 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927020888 619257486 /nfs/dbraw/zinc/25/74/86/619257486.db2.gz ZVWACXXKYAMSSX-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC000898522295 619283969 /nfs/dbraw/zinc/28/39/69/619283969.db2.gz MCDAKIYYARUBLS-QHAWAJNXSA-N 2 1 321.468 3.472 20 0 DGADMP CC[NH+](CC)CCOc1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000898704702 619291482 /nfs/dbraw/zinc/29/14/82/619291482.db2.gz ZHBGTKKXEVOTIN-WMZOPIPTSA-N 2 1 319.493 3.302 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1(Cl)CC1 ZINC000924778641 619454882 /nfs/dbraw/zinc/45/48/82/619454882.db2.gz VLVAMLDRISJUMM-CABCVRRESA-N 2 1 322.880 3.157 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1(Cl)CC1 ZINC000924778641 619454885 /nfs/dbraw/zinc/45/48/85/619454885.db2.gz VLVAMLDRISJUMM-CABCVRRESA-N 2 1 322.880 3.157 20 0 DGADMP [NH3+]CCCC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1F ZINC000902346720 619620005 /nfs/dbraw/zinc/62/00/05/619620005.db2.gz FWMAODRPMAWNEV-KRWDZBQOSA-N 2 1 323.362 3.459 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000902384067 619629480 /nfs/dbraw/zinc/62/94/80/619629480.db2.gz GQBUYMGCIOALKC-JKSUJKDBSA-N 2 1 312.461 3.301 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902431748 619634921 /nfs/dbraw/zinc/63/49/21/619634921.db2.gz NUZYYFHEVYZVAR-CRAIPNDOSA-N 2 1 304.482 3.084 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1)c1c[nH+]ccc1N ZINC000902454271 619640238 /nfs/dbraw/zinc/64/02/38/619640238.db2.gz RYPDVGPDZAZJRL-GVXVVHGQSA-N 2 1 303.356 3.369 20 0 DGADMP CNc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902533531 619650648 /nfs/dbraw/zinc/65/06/48/619650648.db2.gz ZEUBAMLLOMYAGL-SFHVURJKSA-N 2 1 309.457 3.340 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2cccnc2)CC1 ZINC000902727796 619666416 /nfs/dbraw/zinc/66/64/16/619666416.db2.gz CMQILXOTUJUBFC-HXUWFJFHSA-N 2 1 309.457 3.439 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902747985 619669920 /nfs/dbraw/zinc/66/99/20/619669920.db2.gz JQBGVGFDYAJUED-XREYTECCSA-N 2 1 306.494 3.044 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761584 619671777 /nfs/dbraw/zinc/67/17/77/619671777.db2.gz SYMQTSFWQYOFTQ-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761584 619671779 /nfs/dbraw/zinc/67/17/79/619671779.db2.gz SYMQTSFWQYOFTQ-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902818415 619678870 /nfs/dbraw/zinc/67/88/70/619678870.db2.gz NIHMJNPETYJUJZ-GOSISDBHSA-N 2 1 307.482 3.403 20 0 DGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903061694 619708778 /nfs/dbraw/zinc/70/87/78/619708778.db2.gz IGAWKZVPDYEKMP-ONQFOCNCSA-N 2 1 320.864 3.121 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(COC(C)=O)c2)C1 ZINC000903075742 619711686 /nfs/dbraw/zinc/71/16/86/619711686.db2.gz CKJBVRZPFDDYKT-YJBOKZPZSA-N 2 1 318.461 3.132 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903090035 619714040 /nfs/dbraw/zinc/71/40/40/619714040.db2.gz VNHZIQBNNIQXBH-DJXYKJKZSA-N 2 1 314.473 3.461 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000903070508 619715003 /nfs/dbraw/zinc/71/50/03/619715003.db2.gz VPYPJGHSAYXRIF-HOTGVXAUSA-N 2 1 318.461 3.164 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000903070510 619715094 /nfs/dbraw/zinc/71/50/94/619715094.db2.gz VPYPJGHSAYXRIF-JKSUJKDBSA-N 2 1 318.461 3.164 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903093503 619719115 /nfs/dbraw/zinc/71/91/15/619719115.db2.gz RWVBHNDZOWBSBB-DUZACMNTSA-N 2 1 312.457 3.300 20 0 DGADMP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903127243 619722576 /nfs/dbraw/zinc/72/25/76/619722576.db2.gz WVRQONIHRSKCJB-XVCJGWQSSA-N 2 1 308.469 3.320 20 0 DGADMP CCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(C)n1 ZINC000903132198 619723339 /nfs/dbraw/zinc/72/33/39/619723339.db2.gz NOCIACFJXPVYRP-JLYLLQBASA-N 2 1 316.493 3.239 20 0 DGADMP CCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(C)n1 ZINC000903132198 619723340 /nfs/dbraw/zinc/72/33/40/619723340.db2.gz NOCIACFJXPVYRP-JLYLLQBASA-N 2 1 316.493 3.239 20 0 DGADMP COc1ccc2c(c1Cl)[C@H]([NH2+]CCc1c[nH+]cn1C)CCC2 ZINC000903152712 619725685 /nfs/dbraw/zinc/72/56/85/619725685.db2.gz PAHVPQBAGICDOD-CQSZACIVSA-N 2 1 319.836 3.292 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCOC34CCCC4)C2)cc1 ZINC000903166419 619727522 /nfs/dbraw/zinc/72/75/22/619727522.db2.gz XGVRJGIPGLEZMU-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903179631 619731452 /nfs/dbraw/zinc/73/14/52/619731452.db2.gz RWMHZRNNGZEFKB-DBKFYXDTSA-N 2 1 306.494 3.185 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903187269 619736833 /nfs/dbraw/zinc/73/68/33/619736833.db2.gz ZMTVVEWSQXGCIZ-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP c1cnc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc2c1 ZINC000903208902 619738775 /nfs/dbraw/zinc/73/87/75/619738775.db2.gz BQVZDNBZQHDIJE-JLYLLQBASA-N 2 1 307.441 3.482 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903213549 619739614 /nfs/dbraw/zinc/73/96/14/619739614.db2.gz SCUMNUKXAKJCFC-CTXDPNEZSA-N 3 1 319.537 3.244 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000903253552 619745299 /nfs/dbraw/zinc/74/52/99/619745299.db2.gz LTFPHQXFDTVGCK-RWSSSABPSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000903253552 619745300 /nfs/dbraw/zinc/74/53/00/619745300.db2.gz LTFPHQXFDTVGCK-RWSSSABPSA-N 2 1 319.537 3.246 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C2CC2)cc1 ZINC000903426336 619774648 /nfs/dbraw/zinc/77/46/48/619774648.db2.gz HNWOCXLWDGMXGW-VKJFTORMSA-N 2 1 302.462 3.151 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000903441503 619775717 /nfs/dbraw/zinc/77/57/17/619775717.db2.gz VKXLQXODJHIAPD-RNQOJCNYSA-N 2 1 316.489 3.482 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457731 619777023 /nfs/dbraw/zinc/77/70/23/619777023.db2.gz ZUAYFRWFBSUPKJ-UTJXIGIESA-N 2 1 308.853 3.229 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903453624 619779185 /nfs/dbraw/zinc/77/91/85/619779185.db2.gz FHJDLXYJRAUIBS-MHORFTMASA-N 2 1 320.427 3.357 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCC4)O2)cc1 ZINC000903472747 619780118 /nfs/dbraw/zinc/78/01/18/619780118.db2.gz VVZKSTKALUSQLM-BZSNNMDCSA-N 2 1 300.446 3.171 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1C(F)(F)F ZINC000903474440 619780155 /nfs/dbraw/zinc/78/01/55/619780155.db2.gz MBOICOXZUOMSKP-UONOGXRCSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1C(F)(F)F ZINC000903474440 619780156 /nfs/dbraw/zinc/78/01/56/619780156.db2.gz MBOICOXZUOMSKP-UONOGXRCSA-N 2 1 311.351 3.127 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903498997 619781458 /nfs/dbraw/zinc/78/14/58/619781458.db2.gz QQKNZGKBYMEIIW-NXWXRZEISA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1CC[NH3+] ZINC000903497256 619782347 /nfs/dbraw/zinc/78/23/47/619782347.db2.gz RNUKIBWUKNOJHQ-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1CC[NH3+] ZINC000903496828 619782410 /nfs/dbraw/zinc/78/24/10/619782410.db2.gz GKEQJHOVJBTRAY-CHWSQXEVSA-N 2 1 316.367 3.044 20 0 DGADMP c1csc(C[C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000903565784 619783736 /nfs/dbraw/zinc/78/37/36/619783736.db2.gz QFYLWQVNVIZAJP-INIZCTEOSA-N 2 1 307.507 3.177 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2COC(C)(C)C)cc1 ZINC000903563948 619783767 /nfs/dbraw/zinc/78/37/67/619783767.db2.gz MSCDNHZGFNBFMG-DLBZAZTESA-N 2 1 320.477 3.017 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903721877 619803563 /nfs/dbraw/zinc/80/35/63/619803563.db2.gz FSGKQBZCWVNXGM-MSOLQXFVSA-N 2 1 302.462 3.092 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903721881 619803601 /nfs/dbraw/zinc/80/36/01/619803601.db2.gz FSGKQBZCWVNXGM-ROUUACIJSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722666 619803628 /nfs/dbraw/zinc/80/36/28/619803628.db2.gz CUPGQGZQISUKMF-IPMKNSEASA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)cc1OC ZINC000903724633 619804044 /nfs/dbraw/zinc/80/40/44/619804044.db2.gz OTIMPLAUCPYPER-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724503 619804158 /nfs/dbraw/zinc/80/41/58/619804158.db2.gz OCQFEQLXNUYONG-XOKHGSTOSA-N 2 1 308.853 3.101 20 0 DGADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723574 619804163 /nfs/dbraw/zinc/80/41/63/619804163.db2.gz IRDLLLPUZLUFNZ-QZTJIDSGSA-N 2 1 318.436 3.121 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722694 619804355 /nfs/dbraw/zinc/80/43/55/619804355.db2.gz DFGAQHCGLWPXQQ-FUHWJXTLSA-N 2 1 302.462 3.147 20 0 DGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724919 619804880 /nfs/dbraw/zinc/80/48/80/619804880.db2.gz SGRYNCMXXNMZID-ZFWWWQNUSA-N 2 1 324.415 3.116 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903725413 619805168 /nfs/dbraw/zinc/80/51/68/619805168.db2.gz ZJBYVGPBKKRXOZ-RTBURBONSA-N 2 1 314.473 3.291 20 0 DGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730666 619805352 /nfs/dbraw/zinc/80/53/52/619805352.db2.gz YIVPESRHCTWZHF-MOPGFXCFSA-N 2 1 316.489 3.474 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903738214 619808093 /nfs/dbraw/zinc/80/80/93/619808093.db2.gz ZRROTEBWTBCSAU-MAUKXSAKSA-N 2 1 312.461 3.100 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903738214 619808095 /nfs/dbraw/zinc/80/80/95/619808095.db2.gz ZRROTEBWTBCSAU-MAUKXSAKSA-N 2 1 312.461 3.100 20 0 DGADMP C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765886 619809766 /nfs/dbraw/zinc/80/97/66/619809766.db2.gz LZYZXNDOQGTWIO-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000903766724 619809982 /nfs/dbraw/zinc/80/99/82/619809982.db2.gz REUBBNSOQQOZGE-VQIMIIECSA-N 2 1 302.462 3.048 20 0 DGADMP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767598 619810091 /nfs/dbraw/zinc/81/00/91/619810091.db2.gz IQCWDZOJXPWORP-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903755743 619810590 /nfs/dbraw/zinc/81/05/90/619810590.db2.gz LFPALRBKRJSZKO-HUUCEWRRSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903755743 619810593 /nfs/dbraw/zinc/81/05/93/619810593.db2.gz LFPALRBKRJSZKO-HUUCEWRRSA-N 2 1 308.853 3.183 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000903801961 619816014 /nfs/dbraw/zinc/81/60/14/619816014.db2.gz PZBRAROHINHAFU-CADBVGFASA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000903801961 619816017 /nfs/dbraw/zinc/81/60/17/619816017.db2.gz PZBRAROHINHAFU-CADBVGFASA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000903831878 619820953 /nfs/dbraw/zinc/82/09/53/619820953.db2.gz MQKNIDKQVFQIAZ-IHBAFOEMSA-N 2 1 315.461 3.148 20 0 DGADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903831867 619820979 /nfs/dbraw/zinc/82/09/79/619820979.db2.gz MCSQKARREKQPDH-WUUXGELPSA-N 2 1 302.437 3.435 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)nc1 ZINC000903831932 619821011 /nfs/dbraw/zinc/82/10/11/619821011.db2.gz OJXOCGYEBGFJRQ-SFHVURJKSA-N 2 1 303.450 3.007 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000903838242 619821989 /nfs/dbraw/zinc/82/19/89/619821989.db2.gz AIHYXWQROVAFEO-IKLKHMQRSA-N 2 1 300.446 3.108 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3cccc(Cl)c3)o1)C2 ZINC000903843054 619822644 /nfs/dbraw/zinc/82/26/44/619822644.db2.gz AYJPVLMNIHLIJV-CQDKDKBSSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3cccc(Cl)c3)o1)C2 ZINC000903843054 619822647 /nfs/dbraw/zinc/82/26/47/619822647.db2.gz AYJPVLMNIHLIJV-CQDKDKBSSA-N 2 1 317.820 3.307 20 0 DGADMP COc1c(C)cc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000903888651 619826144 /nfs/dbraw/zinc/82/61/44/619826144.db2.gz IATDFGMDLLJMDT-AYHJJNSGSA-N 2 1 302.462 3.274 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)C2CC2)cc1 ZINC000903876133 619827257 /nfs/dbraw/zinc/82/72/57/619827257.db2.gz DKOATRAAGCSAFL-SWLSCSKDSA-N 2 1 312.404 3.278 20 0 DGADMP C(C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903875531 619827434 /nfs/dbraw/zinc/82/74/34/619827434.db2.gz QAOGSBFLGNKZFF-IQYADAHOSA-N 2 1 306.494 3.046 20 0 DGADMP c1csc(C[N@@H+](C[C@@H]2CCCO2)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903876783 619828141 /nfs/dbraw/zinc/82/81/41/619828141.db2.gz IPJJVSFZRJLPRB-HMQMGEFJSA-N 2 1 320.502 3.260 20 0 DGADMP C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903884893 619828848 /nfs/dbraw/zinc/82/88/48/619828848.db2.gz BNBSPSCHUQEBPP-LBPRGKRZSA-N 2 1 306.784 3.023 20 0 DGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903884893 619828850 /nfs/dbraw/zinc/82/88/50/619828850.db2.gz BNBSPSCHUQEBPP-LBPRGKRZSA-N 2 1 306.784 3.023 20 0 DGADMP CCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000903895910 619829823 /nfs/dbraw/zinc/82/98/23/619829823.db2.gz RSQVABVTNPXKRT-AKONKWBKSA-N 2 1 306.494 3.043 20 0 DGADMP c1ccc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCS2)cc1 ZINC000903896672 619830039 /nfs/dbraw/zinc/83/00/39/619830039.db2.gz WNFGFWLSTIIXRC-ONQFOCNCSA-N 2 1 302.487 3.307 20 0 DGADMP Fc1ccc(C[C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903897446 619830069 /nfs/dbraw/zinc/83/00/69/619830069.db2.gz ZCIWOWSQVHCCKU-VBZNHOPUSA-N 2 1 302.437 3.221 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903937658 619837743 /nfs/dbraw/zinc/83/77/43/619837743.db2.gz PBMHZBJNVYPQLL-QZTJIDSGSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1cccc(OC(F)(F)F)c1 ZINC000903937643 619837904 /nfs/dbraw/zinc/83/79/04/619837904.db2.gz ORVXHQNAWNAAND-PSASIEDQSA-N 2 1 312.282 3.218 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000903958350 619839042 /nfs/dbraw/zinc/83/90/42/619839042.db2.gz YCRAXKQIVFYXDD-QMMMGPOBSA-N 2 1 314.323 3.101 20 0 DGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903960215 619839584 /nfs/dbraw/zinc/83/95/84/619839584.db2.gz ZCQMGKRFVLDERT-QGZVFWFLSA-N 2 1 307.507 3.406 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903960215 619839586 /nfs/dbraw/zinc/83/95/86/619839586.db2.gz ZCQMGKRFVLDERT-QGZVFWFLSA-N 2 1 307.507 3.406 20 0 DGADMP COc1ccccc1/C=C\C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959770 619839677 /nfs/dbraw/zinc/83/96/77/619839677.db2.gz OAERWCKOABSCMZ-MONCILHSSA-N 2 1 300.446 3.174 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959770 619839680 /nfs/dbraw/zinc/83/96/80/619839680.db2.gz OAERWCKOABSCMZ-MONCILHSSA-N 2 1 300.446 3.174 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000903959962 619839856 /nfs/dbraw/zinc/83/98/56/619839856.db2.gz TWTWSCWXITZEPQ-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000903959962 619839858 /nfs/dbraw/zinc/83/98/58/619839858.db2.gz TWTWSCWXITZEPQ-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000903947087 619843941 /nfs/dbraw/zinc/84/39/41/619843941.db2.gz NSAXCEGSQMCMMG-UHFFFAOYSA-N 2 1 316.367 3.331 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000903955184 619846397 /nfs/dbraw/zinc/84/63/97/619846397.db2.gz METQYVLUUUFWKX-KRWDZBQOSA-N 2 1 317.383 3.083 20 0 DGADMP CCSc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955891 619847109 /nfs/dbraw/zinc/84/71/09/619847109.db2.gz BWASNFSRLBRKCO-ZDUSSCGKSA-N 2 1 300.418 3.133 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1CC[NH3+] ZINC000903976995 619848183 /nfs/dbraw/zinc/84/81/83/619848183.db2.gz GXHFWLJTEHLZKH-ZYHUDNBSSA-N 2 1 318.795 3.358 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000904299766 619911056 /nfs/dbraw/zinc/91/10/56/619911056.db2.gz NUESCLIOLNYZNR-OAHLLOKOSA-N 2 1 300.377 3.399 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304158 619911359 /nfs/dbraw/zinc/91/13/59/619911359.db2.gz TWCCEHKJJJAVOM-ZDUSSCGKSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@@H+](Cc1ccc(Br)s1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304158 619911362 /nfs/dbraw/zinc/91/13/62/619911362.db2.gz TWCCEHKJJJAVOM-ZDUSSCGKSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)C[C@]1(C)CCC[NH2+]C1 ZINC000904304157 619911437 /nfs/dbraw/zinc/91/14/37/619911437.db2.gz TWCCEHKJJJAVOM-CYBMUJFWSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@@H+](Cc1ccc(Br)s1)C[C@]1(C)CCC[NH2+]C1 ZINC000904304157 619911438 /nfs/dbraw/zinc/91/14/38/619911438.db2.gz TWCCEHKJJJAVOM-CYBMUJFWSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CCC[NH2+]C1 ZINC000904306818 619911930 /nfs/dbraw/zinc/91/19/30/619911930.db2.gz DSTZNKDCRKBQKY-BEFAXECRSA-N 2 1 313.445 3.397 20 0 DGADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000904311869 619912255 /nfs/dbraw/zinc/91/22/55/619912255.db2.gz JJWNYVOQOSSNFP-ZCNNSNEGSA-N 2 1 315.505 3.100 20 0 DGADMP COc1ccccc1C[N@H+](Cc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904336346 619914387 /nfs/dbraw/zinc/91/43/87/619914387.db2.gz GRFIFOAAHCIFKJ-FZNQNYSPSA-N 2 1 316.470 3.496 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CCC[NH2+]C1 ZINC000904389008 619917629 /nfs/dbraw/zinc/91/76/29/619917629.db2.gz RCAOHRBKXZEDOW-KBXCAEBGSA-N 2 1 319.518 3.201 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904386144 619919033 /nfs/dbraw/zinc/91/90/33/619919033.db2.gz QGOZWSLHRWIZOJ-RDJZCZTQSA-N 2 1 307.507 3.096 20 0 DGADMP Cc1cccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000905047979 619966482 /nfs/dbraw/zinc/96/64/82/619966482.db2.gz WDORFGZHXMYLKZ-HKUYNNGSSA-N 2 1 304.478 3.130 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc2c(c1)CCCO2 ZINC000152884092 620527432 /nfs/dbraw/zinc/52/74/32/620527432.db2.gz GMJXNVLSSCVJEA-SFHVURJKSA-N 2 1 320.477 3.021 20 0 DGADMP Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C2CCCC2)n1 ZINC000921493188 620858884 /nfs/dbraw/zinc/85/88/84/620858884.db2.gz JHPNZTXMHQDUFB-UHFFFAOYSA-N 2 1 318.509 3.477 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@@H]1c1cccs1 ZINC000921776171 620948298 /nfs/dbraw/zinc/94/82/98/620948298.db2.gz MGWARTLIFVPDTH-WMLDXEAASA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@@H]1c1cccs1 ZINC000921776171 620948300 /nfs/dbraw/zinc/94/83/00/620948300.db2.gz MGWARTLIFVPDTH-WMLDXEAASA-N 2 1 317.458 3.021 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921979583 620975958 /nfs/dbraw/zinc/97/59/58/620975958.db2.gz GSNCATKCZRSOGJ-MAUKXSAKSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921979583 620975960 /nfs/dbraw/zinc/97/59/60/620975960.db2.gz GSNCATKCZRSOGJ-MAUKXSAKSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980840 620976254 /nfs/dbraw/zinc/97/62/54/620976254.db2.gz OSQWEOXCANFQFS-DOTOQJQBSA-N 2 1 316.493 3.351 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980840 620976257 /nfs/dbraw/zinc/97/62/57/620976257.db2.gz OSQWEOXCANFQFS-DOTOQJQBSA-N 2 1 316.493 3.351 20 0 DGADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@H]1CCC[C@H](C3CCOCC3)C1)CC2 ZINC000922064000 620985174 /nfs/dbraw/zinc/98/51/74/620985174.db2.gz PQMFTTNYQKPCFQ-NJAFHUGGSA-N 2 1 317.477 3.021 20 0 DGADMP CCC(CC)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856552691 621005115 /nfs/dbraw/zinc/00/51/15/621005115.db2.gz ORAYGHXSDPIJCV-IBGZPJMESA-N 2 1 319.493 3.423 20 0 DGADMP CCC(CC)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856552691 621005117 /nfs/dbraw/zinc/00/51/17/621005117.db2.gz ORAYGHXSDPIJCV-IBGZPJMESA-N 2 1 319.493 3.423 20 0 DGADMP CCC(CC)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856552691 621005120 /nfs/dbraw/zinc/00/51/20/621005120.db2.gz ORAYGHXSDPIJCV-IBGZPJMESA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585002 621006508 /nfs/dbraw/zinc/00/65/08/621006508.db2.gz XAYSGDNERMQDSI-MAUKXSAKSA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585002 621006511 /nfs/dbraw/zinc/00/65/11/621006511.db2.gz XAYSGDNERMQDSI-MAUKXSAKSA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585002 621006513 /nfs/dbraw/zinc/00/65/13/621006513.db2.gz XAYSGDNERMQDSI-MAUKXSAKSA-N 2 1 305.466 3.175 20 0 DGADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000922248562 621012991 /nfs/dbraw/zinc/01/29/91/621012991.db2.gz DRKFZNMZAHGYJI-TVFCKZIOSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000922248562 621012995 /nfs/dbraw/zinc/01/29/95/621012995.db2.gz DRKFZNMZAHGYJI-TVFCKZIOSA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C)c3)C2)[C@H]1C(C)C ZINC000922395543 621033209 /nfs/dbraw/zinc/03/32/09/621033209.db2.gz SVDAZZSMIGQSSY-TVFCKZIOSA-N 2 1 322.518 3.016 20 0 DGADMP CS[C@@H]1CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000922631878 621070688 /nfs/dbraw/zinc/07/06/88/621070688.db2.gz XXTFKNKRGRZQON-BRWVUGGUSA-N 2 1 307.507 3.338 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)CC1(C)C ZINC000922958184 621138100 /nfs/dbraw/zinc/13/81/00/621138100.db2.gz PRKDRFUDOQWSEJ-WMZOPIPTSA-N 2 1 302.462 3.153 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1(C)C ZINC000858127980 621155844 /nfs/dbraw/zinc/15/58/44/621155844.db2.gz XFKPRMCSGOVXFN-GOSISDBHSA-N 3 1 309.542 3.495 20 0 DGADMP CN1CC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1(C)C ZINC000858127980 621155847 /nfs/dbraw/zinc/15/58/47/621155847.db2.gz XFKPRMCSGOVXFN-GOSISDBHSA-N 2 1 309.542 3.495 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000923297777 621173236 /nfs/dbraw/zinc/17/32/36/621173236.db2.gz PXDKYSULNUXALT-HUUCEWRRSA-N 2 1 318.383 3.044 20 0 DGADMP C[C@@]1(c2ccccc2)C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923312546 621174054 /nfs/dbraw/zinc/17/40/54/621174054.db2.gz JVJCYSQEZQCDGB-QZNYNHHHSA-N 2 1 314.473 3.155 20 0 DGADMP Fc1ccc(F)c2c1CC[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923314036 621174451 /nfs/dbraw/zinc/17/44/51/621174451.db2.gz BEXHLSUEHNGGCS-AGUYFDCRSA-N 2 1 306.400 3.244 20 0 DGADMP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000923345637 621178391 /nfs/dbraw/zinc/17/83/91/621178391.db2.gz MDYVZMOOIMPGCG-VCTAVGKDSA-N 2 1 317.260 3.086 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000923345637 621178394 /nfs/dbraw/zinc/17/83/94/621178394.db2.gz MDYVZMOOIMPGCG-VCTAVGKDSA-N 2 1 317.260 3.086 20 0 DGADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000923374398 621179412 /nfs/dbraw/zinc/17/94/12/621179412.db2.gz SWVJEYYJHAMYNE-CVEARBPZSA-N 2 1 314.832 3.010 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CC4CCC3CC4)C2)C1 ZINC000923388345 621180863 /nfs/dbraw/zinc/18/08/63/621180863.db2.gz OLUHESGPOGVNLU-VOBNHXKRSA-N 2 1 306.494 3.031 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)sn1 ZINC000923424036 621182631 /nfs/dbraw/zinc/18/26/31/621182631.db2.gz FKVXJPPEPWVCFV-CJNGLKHVSA-N 2 1 323.506 3.271 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1)C1CCCC1 ZINC000923420131 621183993 /nfs/dbraw/zinc/18/39/93/621183993.db2.gz GQULHHCQKVQVBC-NSISKUIASA-N 2 1 316.489 3.340 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000923480931 621187423 /nfs/dbraw/zinc/18/74/23/621187423.db2.gz DAOXUGPSAGQIAB-LBPRGKRZSA-N 2 1 305.422 3.120 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000923493104 621188009 /nfs/dbraw/zinc/18/80/09/621188009.db2.gz RAPPFDLHGZUGMK-INIZCTEOSA-N 2 1 323.440 3.110 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)o1 ZINC000923494851 621188211 /nfs/dbraw/zinc/18/82/11/621188211.db2.gz PJFRDJQLHITDRC-WCQYABFASA-N 2 1 305.447 3.128 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1C[NH3+] ZINC000923496867 621188667 /nfs/dbraw/zinc/18/86/67/621188667.db2.gz JYVHYZHOYFILJG-RYUDHWBXSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1C[NH3+] ZINC000923497488 621188851 /nfs/dbraw/zinc/18/88/51/621188851.db2.gz MJCKRKRTKZYPKZ-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H]1C[NH3+] ZINC000923503873 621189368 /nfs/dbraw/zinc/18/93/68/621189368.db2.gz MFYFUPYZQKRKFC-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP CC(C)c1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923504267 621189677 /nfs/dbraw/zinc/18/96/77/621189677.db2.gz WBILVOQEBNDIPX-LSDHHAIUSA-N 2 1 320.481 3.356 20 0 DGADMP Clc1ncsc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507918 621190322 /nfs/dbraw/zinc/19/03/22/621190322.db2.gz SDPMFNYZBGTUPR-GFCCVEGCSA-N 2 1 313.898 3.398 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518360 621191053 /nfs/dbraw/zinc/19/10/53/621191053.db2.gz DKKMIYCAPSHUTR-KWCYVHTRSA-N 2 1 309.251 3.051 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518360 621191054 /nfs/dbraw/zinc/19/10/54/621191054.db2.gz DKKMIYCAPSHUTR-KWCYVHTRSA-N 2 1 309.251 3.051 20 0 DGADMP CC(=O)N(C)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000858496231 621198143 /nfs/dbraw/zinc/19/81/43/621198143.db2.gz LDRPNXBZNZDFPN-UHFFFAOYSA-N 2 1 317.477 3.022 20 0 DGADMP CC(C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000860072454 621363584 /nfs/dbraw/zinc/36/35/84/621363584.db2.gz DLADOTFCOQNXBA-IBGZPJMESA-N 2 1 312.457 3.121 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463546 621512045 /nfs/dbraw/zinc/51/20/45/621512045.db2.gz KUQWTPBHKDPNHJ-ABSDTBQOSA-N 2 1 316.489 3.271 20 0 DGADMP Cc1cc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OCC[NH+](C)C ZINC000862392694 621583371 /nfs/dbraw/zinc/58/33/71/621583371.db2.gz PAWKQFDTAOEXJA-QGZVFWFLSA-N 2 1 319.493 3.220 20 0 DGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000756574530 621650347 /nfs/dbraw/zinc/65/03/47/621650347.db2.gz MXECRGRLDFRJIY-RBUKOAKNSA-N 2 1 317.477 3.156 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925667 621673346 /nfs/dbraw/zinc/67/33/46/621673346.db2.gz FTXUSEZJCCELFR-USXIJHARSA-N 2 1 320.502 3.312 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925667 621673348 /nfs/dbraw/zinc/67/33/48/621673348.db2.gz FTXUSEZJCCELFR-USXIJHARSA-N 2 1 320.502 3.312 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(SC(F)F)cc1 ZINC000863540532 621681844 /nfs/dbraw/zinc/68/18/44/621681844.db2.gz FNDWYNLZDHYLQP-NSHDSACASA-N 2 1 316.417 3.160 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000757651062 621731218 /nfs/dbraw/zinc/73/12/18/621731218.db2.gz BSISBMRWBFCJRE-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000757651062 621731219 /nfs/dbraw/zinc/73/12/19/621731219.db2.gz BSISBMRWBFCJRE-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000757988078 621751427 /nfs/dbraw/zinc/75/14/27/621751427.db2.gz ZTPHZUBAHNSODE-KSSFIOAISA-N 2 1 311.429 3.164 20 0 DGADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C(C)(C)C ZINC000865522684 621942235 /nfs/dbraw/zinc/94/22/35/621942235.db2.gz UJOGIOUOWSMGDX-UHFFFAOYSA-N 2 1 302.462 3.344 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865601062 621959459 /nfs/dbraw/zinc/95/94/59/621959459.db2.gz XOFOOKMBQSNYCN-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000760828330 621967259 /nfs/dbraw/zinc/96/72/59/621967259.db2.gz RKIOJJBGHMBPET-QUCCMNQESA-N 2 1 315.505 3.240 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C)cc1 ZINC000760865772 621969375 /nfs/dbraw/zinc/96/93/75/621969375.db2.gz VITZCSXURQVFKI-OALUTQOASA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(C)cc1 ZINC000760865772 621969378 /nfs/dbraw/zinc/96/93/78/621969378.db2.gz VITZCSXURQVFKI-OALUTQOASA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(C)cc1 ZINC000760865772 621969382 /nfs/dbraw/zinc/96/93/82/621969382.db2.gz VITZCSXURQVFKI-OALUTQOASA-N 2 1 304.478 3.225 20 0 DGADMP Cc1cc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2cc1F ZINC000865741863 621987030 /nfs/dbraw/zinc/98/70/30/621987030.db2.gz KZUKHLDFTHMOBZ-CVEARBPZSA-N 2 1 315.436 3.374 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCc2cccnc2)cn1 ZINC000866238094 622072885 /nfs/dbraw/zinc/07/28/85/622072885.db2.gz IYOMNOQQAZRRJD-HNNXBMFYSA-N 2 1 321.428 3.082 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238238 622073546 /nfs/dbraw/zinc/07/35/46/622073546.db2.gz NSXLGBBBFDDXJF-VXGBXAGGSA-N 2 1 307.825 3.474 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238238 622073548 /nfs/dbraw/zinc/07/35/48/622073548.db2.gz NSXLGBBBFDDXJF-VXGBXAGGSA-N 2 1 307.825 3.474 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)c1 ZINC000866261461 622078477 /nfs/dbraw/zinc/07/84/77/622078477.db2.gz UXSRYHZTVZHRDF-SFHVURJKSA-N 2 1 316.489 3.161 20 0 DGADMP CC[NH+]1CCC(CC[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866273244 622082662 /nfs/dbraw/zinc/08/26/62/622082662.db2.gz HRPIODBQWHSZLN-FUHWJXTLSA-N 2 1 306.425 3.170 20 0 DGADMP F[C@H]1COc2ccccc2[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000866364999 622103684 /nfs/dbraw/zinc/10/36/84/622103684.db2.gz UMDMSMMTYRUHDE-FUHWJXTLSA-N 2 1 306.425 3.314 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000866381557 622107196 /nfs/dbraw/zinc/10/71/96/622107196.db2.gz NBJOODFGIRFUTH-WMQCIHAUSA-N 2 1 323.484 3.338 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(F)c3)CC2)C1 ZINC000866472874 622123978 /nfs/dbraw/zinc/12/39/78/622123978.db2.gz FWJABWGFNPJZEG-WMLDXEAASA-N 2 1 305.441 3.353 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000866535696 622134409 /nfs/dbraw/zinc/13/44/09/622134409.db2.gz WKZFRBGVYCYGNF-XQLPTFJDSA-N 2 1 304.400 3.451 20 0 DGADMP COC(=O)/C(C)=C/C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000763435093 622145553 /nfs/dbraw/zinc/14/55/53/622145553.db2.gz YWUMQFJPSFSOCP-DYFCPDHGSA-N 2 1 322.493 3.082 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000866717338 622159696 /nfs/dbraw/zinc/15/96/96/622159696.db2.gz BZJCTCIRBZMDDR-IRXDYDNUSA-N 2 1 302.462 3.264 20 0 DGADMP Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000866721826 622159820 /nfs/dbraw/zinc/15/98/20/622159820.db2.gz ZJMKEDLJQZCGSS-FQEVSTJZSA-N 2 1 307.441 3.373 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000121816314 622183740 /nfs/dbraw/zinc/18/37/40/622183740.db2.gz YPRFGLYVSYALNF-FUHWJXTLSA-N 2 1 304.478 3.338 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccccc1 ZINC000764882525 622229819 /nfs/dbraw/zinc/22/98/19/622229819.db2.gz JWHBJLWIRKBNQI-DOTOQJQBSA-N 2 1 324.472 3.316 20 0 DGADMP C(C1CCCCC1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000765040574 622241437 /nfs/dbraw/zinc/24/14/37/622241437.db2.gz XRWXRWGEJVECCV-WOJBJXKFSA-N 2 1 319.537 3.248 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000765757366 622285292 /nfs/dbraw/zinc/28/52/92/622285292.db2.gz DDVMEHBKKKNODF-HZPDHXFCSA-N 2 1 323.444 3.364 20 0 DGADMP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765979177 622297774 /nfs/dbraw/zinc/29/77/74/622297774.db2.gz WODHCPDWRZBKDK-GDBMZVCRSA-N 2 1 308.491 3.351 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](C)C1 ZINC000766514530 622335619 /nfs/dbraw/zinc/33/56/19/622335619.db2.gz YKZQSBGZHYEOCT-LWSMDNFKSA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](C)C1 ZINC000766514530 622335620 /nfs/dbraw/zinc/33/56/20/622335620.db2.gz YKZQSBGZHYEOCT-LWSMDNFKSA-N 2 1 307.526 3.103 20 0 DGADMP COCC[N@H+](C)CCCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000766978675 622365643 /nfs/dbraw/zinc/36/56/43/622365643.db2.gz YWANIIBMOIHKOC-QINSGFPZSA-N 2 1 323.308 3.376 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000766978675 622365647 /nfs/dbraw/zinc/36/56/47/622365647.db2.gz YWANIIBMOIHKOC-QINSGFPZSA-N 2 1 323.308 3.376 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000767691766 622415730 /nfs/dbraw/zinc/41/57/30/622415730.db2.gz UELPPOMLENQZSA-KRWDZBQOSA-N 2 1 322.880 3.381 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1O ZINC000769017448 622492660 /nfs/dbraw/zinc/49/26/60/622492660.db2.gz NEDJSNQPIWSZOM-UHFFFAOYSA-N 2 1 314.429 3.094 20 0 DGADMP C[C@H]1COCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000769458002 622529747 /nfs/dbraw/zinc/52/97/47/622529747.db2.gz XJGWAVPTOREVKI-QGZVFWFLSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H]1COCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000769458002 622529749 /nfs/dbraw/zinc/52/97/49/622529749.db2.gz XJGWAVPTOREVKI-QGZVFWFLSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H]1COCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000769458002 622529751 /nfs/dbraw/zinc/52/97/51/622529751.db2.gz XJGWAVPTOREVKI-QGZVFWFLSA-N 2 1 304.478 3.113 20 0 DGADMP COC1CC(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000769482994 622532393 /nfs/dbraw/zinc/53/23/93/622532393.db2.gz BVMFDKIARYDNMP-UHFFFAOYSA-N 2 1 317.477 3.054 20 0 DGADMP CCCCCCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000770394741 622629858 /nfs/dbraw/zinc/62/98/58/622629858.db2.gz LSZSOGBSSIVZJA-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP CCCCCCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000770394741 622629862 /nfs/dbraw/zinc/62/98/62/622629862.db2.gz LSZSOGBSSIVZJA-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000871784761 622696334 /nfs/dbraw/zinc/69/63/34/622696334.db2.gz KQERJXRPUPWNLP-ALOPSCKCSA-N 2 1 301.434 3.175 20 0 DGADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000871784761 622696337 /nfs/dbraw/zinc/69/63/37/622696337.db2.gz KQERJXRPUPWNLP-ALOPSCKCSA-N 2 1 301.434 3.175 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC(C)C)Cc2ccc(F)cc2)C1 ZINC000872025398 622758850 /nfs/dbraw/zinc/75/88/50/622758850.db2.gz MCFFZCCPAUWUSE-IEBWSBKVSA-N 2 1 322.468 3.093 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000872036383 622766824 /nfs/dbraw/zinc/76/68/24/622766824.db2.gz USOZWLLFFXXERQ-SZMVWBNQSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1noc3c1CC(C)(C)CC3)CC[NH2+]CC2 ZINC000872145281 622832606 /nfs/dbraw/zinc/83/26/06/622832606.db2.gz RBMXMEBPHBNQGB-CQSZACIVSA-N 2 1 317.477 3.154 20 0 DGADMP CC1([NH+]2CCCCC2)CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000872146624 622833484 /nfs/dbraw/zinc/83/34/84/622833484.db2.gz SWEMVOFPZHAIKT-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c1C ZINC000872155297 622834514 /nfs/dbraw/zinc/83/45/14/622834514.db2.gz GVYKNHPHYFQLFN-MRXNPFEDSA-N 2 1 305.466 3.081 20 0 DGADMP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872155221 622834661 /nfs/dbraw/zinc/83/46/61/622834661.db2.gz OHSJTPMLRGLJAY-AWEZNQCLSA-N 2 1 323.506 3.186 20 0 DGADMP COc1ccc(-c2cnc(C[N@@H+](C)CCCCCC[NH3+])o2)cc1 ZINC000872155718 622836266 /nfs/dbraw/zinc/83/62/66/622836266.db2.gz UIUBUSVZTRXBMJ-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)oc1C ZINC000872156128 622836764 /nfs/dbraw/zinc/83/67/64/622836764.db2.gz FDLJTQUEMMBDDY-NVXWUHKLSA-N 2 1 305.466 3.411 20 0 DGADMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155244 622836921 /nfs/dbraw/zinc/83/69/21/622836921.db2.gz PAPDIVPJSJUUJJ-SJORKVTESA-N 2 1 319.493 3.012 20 0 DGADMP CC(C)c1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157735 622838433 /nfs/dbraw/zinc/83/84/33/622838433.db2.gz QGFPBMSAVPMRTP-ZBFHGGJFSA-N 2 1 320.481 3.313 20 0 DGADMP CC(C)c1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157735 622838440 /nfs/dbraw/zinc/83/84/40/622838440.db2.gz QGFPBMSAVPMRTP-ZBFHGGJFSA-N 2 1 320.481 3.313 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nc(C)n1 ZINC000872157513 622839184 /nfs/dbraw/zinc/83/91/84/622839184.db2.gz PFJLFKXBKNYVOY-APWZRJJASA-N 2 1 316.493 3.213 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000772181850 622862927 /nfs/dbraw/zinc/86/29/27/622862927.db2.gz CNLUQIWLGGBAGD-SFHVURJKSA-N 2 1 324.896 3.426 20 0 DGADMP Cc1cc(CNc2cc[nH+]cc2C2CC2)cc(N2CCCC2)[nH+]1 ZINC000872550273 622932161 /nfs/dbraw/zinc/93/21/61/622932161.db2.gz JITACNZMKQBLGM-UHFFFAOYSA-N 2 1 308.429 3.297 20 0 DGADMP Fc1cccc(Cl)c1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211627 623075436 /nfs/dbraw/zinc/07/54/36/623075436.db2.gz QRAZKIIIORMDPV-UHFFFAOYSA-N 2 1 310.825 3.476 20 0 DGADMP C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208462 623076123 /nfs/dbraw/zinc/07/61/23/623076123.db2.gz OAGLQSZWQXLPAI-SUMWQHHRSA-N 2 1 313.470 3.372 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000873222899 623079824 /nfs/dbraw/zinc/07/98/24/623079824.db2.gz DLGLJBORBRUDBP-BEFAXECRSA-N 2 1 302.462 3.250 20 0 DGADMP CC(C)(C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000873229134 623082818 /nfs/dbraw/zinc/08/28/18/623082818.db2.gz XVEPOHXXZAZTDG-TZMCWYRMSA-N 2 1 300.368 3.033 20 0 DGADMP C[C@H](CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000873227631 623082984 /nfs/dbraw/zinc/08/29/84/623082984.db2.gz KFPWMEATMCDSPO-SNPRPXQTSA-N 2 1 300.368 3.249 20 0 DGADMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])c(-c2ccccc2)n1 ZINC000873231468 623083929 /nfs/dbraw/zinc/08/39/29/623083929.db2.gz KEOWHKCKZIPBPX-UHFFFAOYSA-N 2 1 300.450 3.038 20 0 DGADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000873232478 623084524 /nfs/dbraw/zinc/08/45/24/623084524.db2.gz RCPAKPRYVLTGIC-WBVHZDCISA-N 2 1 317.477 3.215 20 0 DGADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000873232477 623084776 /nfs/dbraw/zinc/08/47/76/623084776.db2.gz RCPAKPRYVLTGIC-RDJZCZTQSA-N 2 1 317.477 3.215 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1c(F)cccc1F ZINC000873231623 623085060 /nfs/dbraw/zinc/08/50/60/623085060.db2.gz STFLFVSFXJXROQ-UHFFFAOYSA-N 2 1 322.403 3.306 20 0 DGADMP C[C@@H](NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000873242208 623088467 /nfs/dbraw/zinc/08/84/67/623088467.db2.gz NGOFDDDQURSZFA-YLJYHZDGSA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000774407697 623140984 /nfs/dbraw/zinc/14/09/84/623140984.db2.gz DBEQMPLGOYAGIZ-BZSNNMDCSA-N 2 1 322.880 3.490 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000774407697 623140987 /nfs/dbraw/zinc/14/09/87/623140987.db2.gz DBEQMPLGOYAGIZ-BZSNNMDCSA-N 2 1 322.880 3.490 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000775305791 623251874 /nfs/dbraw/zinc/25/18/74/623251874.db2.gz RPTGCHNHXBTYTJ-QXAKKESOSA-N 2 1 306.494 3.212 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCCO ZINC000775689381 623314621 /nfs/dbraw/zinc/31/46/21/623314621.db2.gz KUMYKIGXDAVXFI-AZUAARDMSA-N 2 1 318.505 3.429 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCCO ZINC000775689381 623314626 /nfs/dbraw/zinc/31/46/26/623314626.db2.gz KUMYKIGXDAVXFI-AZUAARDMSA-N 2 1 318.505 3.429 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCO2 ZINC000125105627 623317532 /nfs/dbraw/zinc/31/75/32/623317532.db2.gz HSIUKIMTCOULSR-GOSISDBHSA-N 2 1 300.446 3.289 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H](O)c1ccc(C)cc1 ZINC000125536810 623480030 /nfs/dbraw/zinc/48/00/30/623480030.db2.gz YWBVKGHJNBWKKP-IBGZPJMESA-N 2 1 315.461 3.336 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H](O)c1ccc(C)cc1 ZINC000125536810 623480032 /nfs/dbraw/zinc/48/00/32/623480032.db2.gz YWBVKGHJNBWKKP-IBGZPJMESA-N 2 1 315.461 3.336 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000125911453 623596793 /nfs/dbraw/zinc/59/67/93/623596793.db2.gz VGOKQNCMMTUCGR-IUODEOHRSA-N 2 1 305.853 3.436 20 0 DGADMP CCOP(=O)(CCC[N@H+](C)C1CC[NH+](CC)CC1)OCC ZINC000876562658 623645623 /nfs/dbraw/zinc/64/56/23/623645623.db2.gz VZXARJXDAKEIGS-UHFFFAOYSA-N 2 1 320.414 3.059 20 0 DGADMP CCOP(=O)(CCC[N@@H+](C)C1CC[NH+](CC)CC1)OCC ZINC000876562658 623645627 /nfs/dbraw/zinc/64/56/27/623645627.db2.gz VZXARJXDAKEIGS-UHFFFAOYSA-N 2 1 320.414 3.059 20 0 DGADMP Cc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000876812755 623713865 /nfs/dbraw/zinc/71/38/65/623713865.db2.gz YHOOTAYUIHOSKI-CGTJXYLNSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000876812755 623713869 /nfs/dbraw/zinc/71/38/69/623713869.db2.gz YHOOTAYUIHOSKI-CGTJXYLNSA-N 2 1 322.880 3.332 20 0 DGADMP CSC(C)(C)CC[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876897723 623738881 /nfs/dbraw/zinc/73/88/81/623738881.db2.gz VDTMXTNCKBTOPJ-UHFFFAOYSA-N 2 1 322.518 3.140 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000876916295 623743577 /nfs/dbraw/zinc/74/35/77/623743577.db2.gz QNOWHPAUVNUBKI-QTCYRWPVSA-N 2 1 315.398 3.140 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000876938906 623749528 /nfs/dbraw/zinc/74/95/28/623749528.db2.gz BIGCJJPYXJGFHS-VXGBXAGGSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000876938906 623749529 /nfs/dbraw/zinc/74/95/29/623749529.db2.gz BIGCJJPYXJGFHS-VXGBXAGGSA-N 2 1 305.809 3.198 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC[P@](C)(=O)OCC)C1 ZINC000876963892 623756264 /nfs/dbraw/zinc/75/62/64/623756264.db2.gz JYXDCGBRHSVVMZ-BXTJHSDWSA-N 2 1 304.415 3.031 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877073543 623784306 /nfs/dbraw/zinc/78/43/06/623784306.db2.gz NFTCOKZLLPFMCK-VXGBXAGGSA-N 2 1 307.825 3.444 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497242 623911694 /nfs/dbraw/zinc/91/16/94/623911694.db2.gz KYDUGZAXSMRHBO-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP C[C@]1(C[NH2+]CCC[C@H]2CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496766 623912345 /nfs/dbraw/zinc/91/23/45/623912345.db2.gz YDZVBKFLMXBTPD-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNCc2cc3c(ccnc3Cl)o2)C1 ZINC000877524883 623922951 /nfs/dbraw/zinc/92/29/51/623922951.db2.gz JPVUQELMSFJKOG-GFCCVEGCSA-N 2 1 307.825 3.301 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877524883 623922954 /nfs/dbraw/zinc/92/29/54/623922954.db2.gz JPVUQELMSFJKOG-GFCCVEGCSA-N 2 1 307.825 3.301 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877524883 623922962 /nfs/dbraw/zinc/92/29/62/623922962.db2.gz JPVUQELMSFJKOG-GFCCVEGCSA-N 2 1 307.825 3.301 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)CC1 ZINC000877528980 623926621 /nfs/dbraw/zinc/92/66/21/623926621.db2.gz PGFNVRUKCUTUPQ-KRWDZBQOSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4nc(Cl)ccc4s3)C2)C1 ZINC000877545978 623936149 /nfs/dbraw/zinc/93/61/49/623936149.db2.gz NISJGNYTJYVQIL-MRXNPFEDSA-N 2 1 321.877 3.477 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4nc(Cl)ccc4s3)C2)C1 ZINC000877545978 623936155 /nfs/dbraw/zinc/93/61/55/623936155.db2.gz NISJGNYTJYVQIL-MRXNPFEDSA-N 2 1 321.877 3.477 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4nc(Cl)ccc4s3)C2)C1 ZINC000877545978 623936157 /nfs/dbraw/zinc/93/61/57/623936157.db2.gz NISJGNYTJYVQIL-MRXNPFEDSA-N 2 1 321.877 3.477 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877585750 623952628 /nfs/dbraw/zinc/95/26/28/623952628.db2.gz VWEGLMFCJJQJPL-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)OCC ZINC000877623246 623967753 /nfs/dbraw/zinc/96/77/53/623967753.db2.gz ZZPRLBTYWRLEPQ-CQSZACIVSA-N 2 1 320.414 3.105 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)OCC ZINC000877623246 623967758 /nfs/dbraw/zinc/96/77/58/623967758.db2.gz ZZPRLBTYWRLEPQ-CQSZACIVSA-N 2 1 320.414 3.105 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877654444 623979912 /nfs/dbraw/zinc/97/99/12/623979912.db2.gz XZIWRBZRPZCBOZ-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877654444 623979916 /nfs/dbraw/zinc/97/99/16/623979916.db2.gz XZIWRBZRPZCBOZ-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744094 624016565 /nfs/dbraw/zinc/01/65/65/624016565.db2.gz ZRULOZJHUVDUAZ-PKOBYXMFSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744094 624016567 /nfs/dbraw/zinc/01/65/67/624016567.db2.gz ZRULOZJHUVDUAZ-PKOBYXMFSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc2ccccc21 ZINC000877744094 624016571 /nfs/dbraw/zinc/01/65/71/624016571.db2.gz ZRULOZJHUVDUAZ-PKOBYXMFSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc2ccccc21 ZINC000877744094 624016573 /nfs/dbraw/zinc/01/65/73/624016573.db2.gz ZRULOZJHUVDUAZ-PKOBYXMFSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c2ccccc12 ZINC000877744481 624016648 /nfs/dbraw/zinc/01/66/48/624016648.db2.gz USPJVOYIWUWHRZ-LPHOPBHVSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c2ccccc12 ZINC000877744481 624016650 /nfs/dbraw/zinc/01/66/50/624016650.db2.gz USPJVOYIWUWHRZ-LPHOPBHVSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c2ccccc12 ZINC000877744481 624016652 /nfs/dbraw/zinc/01/66/52/624016652.db2.gz USPJVOYIWUWHRZ-LPHOPBHVSA-N 2 1 310.441 3.374 20 0 DGADMP CC[C@H]1C[C@@H](C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CCO1 ZINC000877767409 624028499 /nfs/dbraw/zinc/02/84/99/624028499.db2.gz HLTANADKGBQIQC-OALUTQOASA-N 2 1 310.526 3.491 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)O2)cc1 ZINC000878123512 624178280 /nfs/dbraw/zinc/17/82/80/624178280.db2.gz APZRATLQMNXALL-RLLQIKCJSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157379 624193688 /nfs/dbraw/zinc/19/36/88/624193688.db2.gz ZTDOSIMHNAVUCW-IAGOWNOFSA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157379 624193689 /nfs/dbraw/zinc/19/36/89/624193689.db2.gz ZTDOSIMHNAVUCW-IAGOWNOFSA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157379 624193691 /nfs/dbraw/zinc/19/36/91/624193691.db2.gz ZTDOSIMHNAVUCW-IAGOWNOFSA-N 2 1 308.510 3.244 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878236410 624223372 /nfs/dbraw/zinc/22/33/72/624223372.db2.gz XBMCTQWRJJVKKT-RBUKOAKNSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411192 624270969 /nfs/dbraw/zinc/27/09/69/624270969.db2.gz GPHFTYDCQJKLBA-XYJFISCASA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782761504 624281051 /nfs/dbraw/zinc/28/10/51/624281051.db2.gz ZXLRYQLVEUKMCO-LPHOPBHVSA-N 2 1 302.462 3.086 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878512129 624295079 /nfs/dbraw/zinc/29/50/79/624295079.db2.gz LQSCKXPMJBHTKT-MRXNPFEDSA-N 2 1 305.466 3.259 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878512129 624295083 /nfs/dbraw/zinc/29/50/83/624295083.db2.gz LQSCKXPMJBHTKT-MRXNPFEDSA-N 2 1 305.466 3.259 20 0 DGADMP CCOCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000782960500 624295792 /nfs/dbraw/zinc/29/57/92/624295792.db2.gz CUNVUKPRFZBOCU-AYHJJNSGSA-N 2 1 318.461 3.164 20 0 DGADMP C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608191 624320973 /nfs/dbraw/zinc/32/09/73/624320973.db2.gz KQRYQSURHUHIJW-WSCSCYJOSA-N 2 1 314.473 3.464 20 0 DGADMP C[NH+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608191 624320976 /nfs/dbraw/zinc/32/09/76/624320976.db2.gz KQRYQSURHUHIJW-WSCSCYJOSA-N 2 1 314.473 3.464 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC3CC3)C2)ccn1 ZINC000879019516 624409350 /nfs/dbraw/zinc/40/93/50/624409350.db2.gz VHVBEBQZHNYJGF-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000879202550 624450355 /nfs/dbraw/zinc/45/03/55/624450355.db2.gz JCICQYTVPKLUKM-GOSISDBHSA-N 2 1 302.462 3.060 20 0 DGADMP O[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000879245187 624460260 /nfs/dbraw/zinc/46/02/60/624460260.db2.gz JBTNHLARQDCGGP-MOPGFXCFSA-N 2 1 302.462 3.060 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566854 624592740 /nfs/dbraw/zinc/59/27/40/624592740.db2.gz ZNCXQDCTQMKJTP-IAGOWNOFSA-N 2 1 313.470 3.366 20 0 DGADMP Cc1ccc(-c2cc(CN3CC[C@H]4[C@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568840 624593714 /nfs/dbraw/zinc/59/37/14/624593714.db2.gz DHFAZBYAEIOZRR-APWZRJJASA-N 2 1 311.429 3.176 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570833 624593807 /nfs/dbraw/zinc/59/38/07/624593807.db2.gz JIIICXWBGAYVKA-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570833 624593808 /nfs/dbraw/zinc/59/38/08/624593808.db2.gz JIIICXWBGAYVKA-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570833 624593815 /nfs/dbraw/zinc/59/38/15/624593815.db2.gz JIIICXWBGAYVKA-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570833 624593824 /nfs/dbraw/zinc/59/38/24/624593824.db2.gz JIIICXWBGAYVKA-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000879570833 624593838 /nfs/dbraw/zinc/59/38/38/624593838.db2.gz JIIICXWBGAYVKA-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573272 624596407 /nfs/dbraw/zinc/59/64/07/624596407.db2.gz VVTGRDIAZCOCGW-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573272 624596411 /nfs/dbraw/zinc/59/64/11/624596411.db2.gz VVTGRDIAZCOCGW-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573272 624596415 /nfs/dbraw/zinc/59/64/15/624596415.db2.gz VVTGRDIAZCOCGW-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573272 624596418 /nfs/dbraw/zinc/59/64/18/624596418.db2.gz VVTGRDIAZCOCGW-XJKSGUPXSA-N 2 1 310.894 3.458 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879677289 624636869 /nfs/dbraw/zinc/63/68/69/624636869.db2.gz MZALGUPIUIJGBN-IBGZPJMESA-N 2 1 312.461 3.139 20 0 DGADMP CCc1noc(C)c1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879705073 624645249 /nfs/dbraw/zinc/64/52/49/624645249.db2.gz ZTSSWWFBPIGPOJ-UHFFFAOYSA-N 2 1 307.482 3.345 20 0 DGADMP CCCCc1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000879702075 624645529 /nfs/dbraw/zinc/64/55/29/624645529.db2.gz DVNDYMDFLLNSIU-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP CCCCc1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000879702075 624645534 /nfs/dbraw/zinc/64/55/34/624645534.db2.gz DVNDYMDFLLNSIU-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP CCc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)nc1 ZINC000879703336 624645618 /nfs/dbraw/zinc/64/56/18/624645618.db2.gz ISMJDTFOVNZBQZ-UHFFFAOYSA-N 2 1 303.494 3.444 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1CCC2(CCC2)O1)CC1CC[NH+](C)CC1 ZINC000879704202 624645650 /nfs/dbraw/zinc/64/56/50/624645650.db2.gz AXTUGYLLMCQOAG-SFHVURJKSA-N 2 1 308.510 3.388 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000879733074 624656086 /nfs/dbraw/zinc/65/60/86/624656086.db2.gz YREHXXWDJWKIDP-KRWDZBQOSA-N 2 1 313.445 3.470 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000879733074 624656088 /nfs/dbraw/zinc/65/60/88/624656088.db2.gz YREHXXWDJWKIDP-KRWDZBQOSA-N 2 1 313.445 3.470 20 0 DGADMP Cc1ncsc1CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949549 624729304 /nfs/dbraw/zinc/72/93/04/624729304.db2.gz ZRHJQRYCUGNXPT-UHFFFAOYSA-N 2 1 307.507 3.334 20 0 DGADMP CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000880148730 624808774 /nfs/dbraw/zinc/80/87/74/624808774.db2.gz KUGBTUWQDWDQQL-LJQANCHMSA-N 2 1 316.489 3.265 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000880255363 624871256 /nfs/dbraw/zinc/87/12/56/624871256.db2.gz JLPNCVQGZQAWMC-UHFFFAOYSA-N 2 1 316.489 3.409 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000880255234 624871435 /nfs/dbraw/zinc/87/14/35/624871435.db2.gz FFBLRQAHCHPXFO-SFHVURJKSA-N 2 1 307.526 3.201 20 0 DGADMP CCCNC(=O)CCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880254864 624871664 /nfs/dbraw/zinc/87/16/64/624871664.db2.gz QHHHJVPLUGHPNR-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000880256454 624873630 /nfs/dbraw/zinc/87/36/30/624873630.db2.gz IQLGXLDGPUZIAP-UHFFFAOYSA-N 2 1 318.509 3.083 20 0 DGADMP FC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](CF)C3)c2)C1 ZINC000880297443 624900072 /nfs/dbraw/zinc/90/00/72/624900072.db2.gz OHXNVPGABSDGKG-HDICACEKSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](CF)C3)c2)C1 ZINC000880297443 624900076 /nfs/dbraw/zinc/90/00/76/624900076.db2.gz OHXNVPGABSDGKG-HDICACEKSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](CF)C3)c2)C1 ZINC000880297443 624900079 /nfs/dbraw/zinc/90/00/79/624900079.db2.gz OHXNVPGABSDGKG-HDICACEKSA-N 2 1 308.416 3.269 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccsc3[C@H]2C)CC1 ZINC000880377128 624943092 /nfs/dbraw/zinc/94/30/92/624943092.db2.gz OTSZIZJIYPVIQY-MRXNPFEDSA-N 2 1 321.534 3.083 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000880476249 624964219 /nfs/dbraw/zinc/96/42/19/624964219.db2.gz ROACTAHQCFEHBZ-RTBURBONSA-N 2 1 314.473 3.467 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000787293237 624997215 /nfs/dbraw/zinc/99/72/15/624997215.db2.gz WNGOPZRTOZZUMG-HZPDHXFCSA-N 2 1 323.444 3.364 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000788482520 625193854 /nfs/dbraw/zinc/19/38/54/625193854.db2.gz WSKHRFVLSUJPKU-KRWDZBQOSA-N 2 1 304.503 3.442 20 0 DGADMP CCOc1ccc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000883174883 625953750 /nfs/dbraw/zinc/95/37/50/625953750.db2.gz URXXIKNIEGUNPH-BPQIPLTHSA-N 2 1 302.462 3.404 20 0 DGADMP c1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186354 625960307 /nfs/dbraw/zinc/96/03/07/625960307.db2.gz QEWFUFRSDIZQBK-IBGZPJMESA-N 2 1 314.473 3.256 20 0 DGADMP c1cc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186354 625960311 /nfs/dbraw/zinc/96/03/11/625960311.db2.gz QEWFUFRSDIZQBK-IBGZPJMESA-N 2 1 314.473 3.256 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000796375531 626044184 /nfs/dbraw/zinc/04/41/84/626044184.db2.gz LNMFJNYVGMQNKX-CQSZACIVSA-N 2 1 321.877 3.115 20 0 DGADMP c1[nH]nc2c1[C@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000796721949 626076274 /nfs/dbraw/zinc/07/62/74/626076274.db2.gz CUUGMQNWVWDXPN-GOSISDBHSA-N 2 1 316.493 3.421 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000796799220 626084258 /nfs/dbraw/zinc/08/42/58/626084258.db2.gz SYDBPEBBGNUVGV-OTWHNJEPSA-N 2 1 302.462 3.226 20 0 DGADMP COc1cccc(CCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178428 626277687 /nfs/dbraw/zinc/27/76/87/626277687.db2.gz URXWPFOSUYSPLO-UHFFFAOYSA-N 2 1 316.489 3.436 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998469 626342111 /nfs/dbraw/zinc/34/21/11/626342111.db2.gz ZRUTUMMWGIQWQZ-KEYYUXOJSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998469 626342115 /nfs/dbraw/zinc/34/21/15/626342115.db2.gz ZRUTUMMWGIQWQZ-KEYYUXOJSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998469 626342117 /nfs/dbraw/zinc/34/21/17/626342117.db2.gz ZRUTUMMWGIQWQZ-KEYYUXOJSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998469 626342121 /nfs/dbraw/zinc/34/21/21/626342121.db2.gz ZRUTUMMWGIQWQZ-KEYYUXOJSA-N 2 1 310.869 3.178 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883215637 626611549 /nfs/dbraw/zinc/61/15/49/626611549.db2.gz CINMFTKCHOGTPY-OALUTQOASA-N 2 1 314.473 3.066 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883329422 626649578 /nfs/dbraw/zinc/64/95/78/626649578.db2.gz KFCIHRDKEMXBGH-GDBMZVCRSA-N 2 1 318.461 3.371 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883329422 626649580 /nfs/dbraw/zinc/64/95/80/626649580.db2.gz KFCIHRDKEMXBGH-GDBMZVCRSA-N 2 1 318.461 3.371 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416328 626677400 /nfs/dbraw/zinc/67/74/00/626677400.db2.gz RXZWGAPXJVMKSJ-OALUTQOASA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2CC[C@@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417676 626678165 /nfs/dbraw/zinc/67/81/65/626678165.db2.gz JCNCPBUKKORCQT-VQTJNVASSA-N 2 1 314.473 3.371 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883424340 626679488 /nfs/dbraw/zinc/67/94/88/626679488.db2.gz ONFWTXKTWTVDFV-JEQQUTEPSA-N 2 1 300.446 3.251 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429506 626679950 /nfs/dbraw/zinc/67/99/50/626679950.db2.gz XMKSCOLMYYVDKC-NMLBUPMWSA-N 2 1 314.473 3.228 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883427690 626680030 /nfs/dbraw/zinc/68/00/30/626680030.db2.gz ZICVAIRRGGCMHO-XGXHKWSGSA-N 2 1 302.462 3.356 20 0 DGADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883434899 626681141 /nfs/dbraw/zinc/68/11/41/626681141.db2.gz DKOBZXORSSKBHZ-SJORKVTESA-N 2 1 308.510 3.292 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883434831 626681609 /nfs/dbraw/zinc/68/16/09/626681609.db2.gz BWQWPQNWXUIUFJ-PZZKWDHKSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883434831 626681610 /nfs/dbraw/zinc/68/16/10/626681610.db2.gz BWQWPQNWXUIUFJ-PZZKWDHKSA-N 2 1 300.446 3.110 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000883439250 626682620 /nfs/dbraw/zinc/68/26/20/626682620.db2.gz MYYQSWTZXKTBBW-KRWDZBQOSA-N 2 1 303.475 3.493 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000883439250 626682621 /nfs/dbraw/zinc/68/26/21/626682621.db2.gz MYYQSWTZXKTBBW-KRWDZBQOSA-N 2 1 303.475 3.493 20 0 DGADMP CN(CCC[N@@H+](C)[C@H]1CCc2cc(Cl)ccc21)CC[NH+](C)C ZINC000808781932 626861079 /nfs/dbraw/zinc/86/10/79/626861079.db2.gz YDDNZIDYTYEMNS-SFHVURJKSA-N 2 1 323.912 3.143 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)oc21 ZINC000809767080 626949031 /nfs/dbraw/zinc/94/90/31/626949031.db2.gz GBNWGTMVQMBWHQ-DOTOQJQBSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)oc21 ZINC000809767080 626949035 /nfs/dbraw/zinc/94/90/35/626949035.db2.gz GBNWGTMVQMBWHQ-DOTOQJQBSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)oc21 ZINC000809767080 626949039 /nfs/dbraw/zinc/94/90/39/626949039.db2.gz GBNWGTMVQMBWHQ-DOTOQJQBSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)oc21 ZINC000809766058 626949384 /nfs/dbraw/zinc/94/93/84/626949384.db2.gz TXYCJQASLUFDNX-CZUORRHYSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)oc21 ZINC000809766058 626949388 /nfs/dbraw/zinc/94/93/88/626949388.db2.gz TXYCJQASLUFDNX-CZUORRHYSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)oc21 ZINC000809766058 626949389 /nfs/dbraw/zinc/94/93/89/626949389.db2.gz TXYCJQASLUFDNX-CZUORRHYSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)oc21 ZINC000809766058 626949393 /nfs/dbraw/zinc/94/93/93/626949393.db2.gz TXYCJQASLUFDNX-CZUORRHYSA-N 2 1 302.418 3.213 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)nc1 ZINC000810209231 626988178 /nfs/dbraw/zinc/98/81/78/626988178.db2.gz OVOJIAAVOAQVPZ-FPMFFAJLSA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)nc1 ZINC000810209231 626988180 /nfs/dbraw/zinc/98/81/80/626988180.db2.gz OVOJIAAVOAQVPZ-FPMFFAJLSA-N 2 1 324.266 3.122 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000885924913 627061367 /nfs/dbraw/zinc/06/13/67/627061367.db2.gz YWDCJAXVCWVIPX-CABCVRRESA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000885924913 627061370 /nfs/dbraw/zinc/06/13/70/627061370.db2.gz YWDCJAXVCWVIPX-CABCVRRESA-N 2 1 310.388 3.047 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000885929190 627062286 /nfs/dbraw/zinc/06/22/86/627062286.db2.gz MBBHCIWOLHOITB-SJORKVTESA-N 2 1 314.433 3.013 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000886044440 627092142 /nfs/dbraw/zinc/09/21/42/627092142.db2.gz WSXOBJKQXAQZGV-IHPCNDPISA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000886044440 627092146 /nfs/dbraw/zinc/09/21/46/627092146.db2.gz WSXOBJKQXAQZGV-IHPCNDPISA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000886044440 627092148 /nfs/dbraw/zinc/09/21/48/627092148.db2.gz WSXOBJKQXAQZGV-IHPCNDPISA-N 2 1 316.489 3.255 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1)CC(C)C ZINC000886105413 627106125 /nfs/dbraw/zinc/10/61/25/627106125.db2.gz ZEHAFZQNRINRRJ-UXHICEINSA-N 2 1 322.537 3.493 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000886151295 627113291 /nfs/dbraw/zinc/11/32/91/627113291.db2.gz GWTSHHLGLUNHOX-FYQPLNBISA-N 2 1 316.489 3.269 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000886221236 627122977 /nfs/dbraw/zinc/12/29/77/627122977.db2.gz WCIKWZZWYMCEBY-ICSRJNTNSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000886221236 627122979 /nfs/dbraw/zinc/12/29/79/627122979.db2.gz WCIKWZZWYMCEBY-ICSRJNTNSA-N 2 1 316.489 3.257 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000886290357 627132476 /nfs/dbraw/zinc/13/24/76/627132476.db2.gz CBQJKNSKTYCZQO-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)OCC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCOC(C)C)CC1 ZINC000886389257 627145234 /nfs/dbraw/zinc/14/52/34/627145234.db2.gz AWYNECYPFUJLCQ-IYARVYRRSA-N 2 1 314.514 3.011 20 0 DGADMP CC[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCC1 ZINC000886501730 627153495 /nfs/dbraw/zinc/15/34/95/627153495.db2.gz WRWIHEYEIOMUJQ-XBMUEBEBSA-N 3 1 307.526 3.248 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886505034 627154176 /nfs/dbraw/zinc/15/41/76/627154176.db2.gz GDQNXJYOWXAUCA-JZXOWHBKSA-N 2 1 301.478 3.417 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886526090 627156660 /nfs/dbraw/zinc/15/66/60/627156660.db2.gz FCYXPXFINYWIBA-MVBLQPKNSA-N 2 1 316.489 3.036 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000886534838 627158830 /nfs/dbraw/zinc/15/88/30/627158830.db2.gz PLXUDRZJXKBAPJ-BKVYNOPKSA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000886534838 627158833 /nfs/dbraw/zinc/15/88/33/627158833.db2.gz PLXUDRZJXKBAPJ-BKVYNOPKSA-N 2 1 307.526 3.103 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886612237 627173235 /nfs/dbraw/zinc/17/32/35/627173235.db2.gz GVBNCIMUFPGKMC-FDMITFGQSA-N 2 1 302.462 3.053 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CC[C@@H](C4CC4)O3)CC2)[nH+]c1C ZINC000886659509 627182220 /nfs/dbraw/zinc/18/22/20/627182220.db2.gz OJZKHTUDLFBHPT-IRXDYDNUSA-N 2 1 303.450 3.164 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCOc3ccccc3F)CC2)[nH+]c1C ZINC000886672093 627186059 /nfs/dbraw/zinc/18/60/59/627186059.db2.gz INXYZGXCAODYJA-UHFFFAOYSA-N 2 1 317.408 3.424 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886719933 627197392 /nfs/dbraw/zinc/19/73/92/627197392.db2.gz MXQXJQFKPQOKRF-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000886718169 627197409 /nfs/dbraw/zinc/19/74/09/627197409.db2.gz SAYDOXOAHYFTEO-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000886717897 627197466 /nfs/dbraw/zinc/19/74/66/627197466.db2.gz LKEXKXSPIMPVCZ-SFHVURJKSA-N 2 1 302.462 3.060 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000886858029 627211316 /nfs/dbraw/zinc/21/13/16/627211316.db2.gz JTCDMUUHSYYKNY-JKSUJKDBSA-N 2 1 307.507 3.096 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCC(F)(F)F ZINC000887132530 627227875 /nfs/dbraw/zinc/22/78/75/627227875.db2.gz HVVOBAWBFFZICN-CYBMUJFWSA-N 2 1 301.356 3.325 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000887134622 627228437 /nfs/dbraw/zinc/22/84/37/627228437.db2.gz MTZKNJLEWNHTIN-FUHWJXTLSA-N 2 1 315.461 3.084 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178257 627546933 /nfs/dbraw/zinc/54/69/33/627546933.db2.gz JOPVZBBJKSWSSN-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178257 627546937 /nfs/dbraw/zinc/54/69/37/627546937.db2.gz JOPVZBBJKSWSSN-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178257 627546940 /nfs/dbraw/zinc/54/69/40/627546940.db2.gz JOPVZBBJKSWSSN-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178257 627546942 /nfs/dbraw/zinc/54/69/42/627546942.db2.gz JOPVZBBJKSWSSN-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CC1)C1CCOCC1)Cc1ccccc1 ZINC000924580321 627651700 /nfs/dbraw/zinc/65/17/00/627651700.db2.gz RUHLSQVURIMLIU-HXUWFJFHSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)Cc1ccccc1 ZINC000924580540 627651837 /nfs/dbraw/zinc/65/18/37/627651837.db2.gz VHVPUEGYAWLDEI-UXHICEINSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687601 627668153 /nfs/dbraw/zinc/66/81/53/627668153.db2.gz WKUZSWZPJGXBBW-FGTMMUONSA-N 2 1 303.494 3.360 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCCc2c(Cl)ccnc21)C[NH+]1CCCC1 ZINC000924717803 627672813 /nfs/dbraw/zinc/67/28/13/627672813.db2.gz XDJVOMQAZQIQIW-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924718220 627672901 /nfs/dbraw/zinc/67/29/01/627672901.db2.gz PXQYZMQPOQEHML-NHCUHLMSSA-N 2 1 323.484 3.165 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1cnn(C2CCC2)c1)C[NH+]1CCCCC1 ZINC000924722288 627673461 /nfs/dbraw/zinc/67/34/61/627673461.db2.gz RDBVQNKXSIECPD-HZPDHXFCSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924844387 627686338 /nfs/dbraw/zinc/68/63/38/627686338.db2.gz TYTSYAPEBJHBNP-MRXNPFEDSA-N 2 1 315.505 3.416 20 0 DGADMP C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924844387 627686341 /nfs/dbraw/zinc/68/63/41/627686341.db2.gz TYTSYAPEBJHBNP-MRXNPFEDSA-N 2 1 315.505 3.416 20 0 DGADMP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000924861530 627688306 /nfs/dbraw/zinc/68/83/06/627688306.db2.gz KNZHMFSHVKJIME-CYBMUJFWSA-N 2 1 317.433 3.083 20 0 DGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000924966985 627697663 /nfs/dbraw/zinc/69/76/63/627697663.db2.gz SNSWWXBAJVEFEX-MJGOQNOKSA-N 2 1 307.526 3.129 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010206 627701005 /nfs/dbraw/zinc/70/10/05/627701005.db2.gz FDGATDNHOQPEQT-KSSFIOAISA-N 2 1 302.462 3.049 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010206 627701009 /nfs/dbraw/zinc/70/10/09/627701009.db2.gz FDGATDNHOQPEQT-KSSFIOAISA-N 2 1 302.462 3.049 20 0 DGADMP C[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010202 627701403 /nfs/dbraw/zinc/70/14/03/627701403.db2.gz FDGATDNHOQPEQT-KDOFPFPSSA-N 2 1 302.462 3.049 20 0 DGADMP C[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010202 627701404 /nfs/dbraw/zinc/70/14/04/627701404.db2.gz FDGATDNHOQPEQT-KDOFPFPSSA-N 2 1 302.462 3.049 20 0 DGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000925057624 627704912 /nfs/dbraw/zinc/70/49/12/627704912.db2.gz SGIMYYPECFISFD-RDGPPVDQSA-N 2 1 320.521 3.434 20 0 DGADMP CC1(C)[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925507557 627743553 /nfs/dbraw/zinc/74/35/53/627743553.db2.gz AKUWUSILCWJEHZ-ILXRZTDVSA-N 2 1 310.388 3.154 20 0 DGADMP c1ccc2c(c1)CCS[C@H]2C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925541181 627750728 /nfs/dbraw/zinc/75/07/28/627750728.db2.gz HPAQXXYTJDUBIC-DLBZAZTESA-N 2 1 302.487 3.281 20 0 DGADMP C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000925546303 627752160 /nfs/dbraw/zinc/75/21/60/627752160.db2.gz NPUHBBIOICGWTH-PSBWJHGTSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCCC[C@H]1C ZINC000925546303 627752164 /nfs/dbraw/zinc/75/21/64/627752164.db2.gz NPUHBBIOICGWTH-PSBWJHGTSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH3+])[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553009 627753454 /nfs/dbraw/zinc/75/34/54/627753454.db2.gz MISIXDGOSZCKLV-JENIJYKNSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553009 627753461 /nfs/dbraw/zinc/75/34/61/627753461.db2.gz MISIXDGOSZCKLV-JENIJYKNSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553009 627753465 /nfs/dbraw/zinc/75/34/65/627753465.db2.gz MISIXDGOSZCKLV-JENIJYKNSA-N 2 1 303.494 3.319 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925606633 627761291 /nfs/dbraw/zinc/76/12/91/627761291.db2.gz PDQQDWSGMNJZKA-MSOLQXFVSA-N 2 1 317.477 3.127 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925615252 627762866 /nfs/dbraw/zinc/76/28/66/627762866.db2.gz FUGXNWUENXBCHC-HOJAQTOUSA-N 2 1 321.553 3.112 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925615252 627762870 /nfs/dbraw/zinc/76/28/70/627762870.db2.gz FUGXNWUENXBCHC-HOJAQTOUSA-N 3 1 321.553 3.112 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925615252 627762872 /nfs/dbraw/zinc/76/28/72/627762872.db2.gz FUGXNWUENXBCHC-HOJAQTOUSA-N 3 1 321.553 3.112 20 0 DGADMP CC1(C)C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655457 627771340 /nfs/dbraw/zinc/77/13/40/627771340.db2.gz VHTLPISEHJBFAQ-QRVBRYPASA-N 2 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655457 627771344 /nfs/dbraw/zinc/77/13/44/627771344.db2.gz VHTLPISEHJBFAQ-QRVBRYPASA-N 3 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655457 627771346 /nfs/dbraw/zinc/77/13/46/627771346.db2.gz VHTLPISEHJBFAQ-QRVBRYPASA-N 3 1 315.505 3.004 20 0 DGADMP [NH3+]CCC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccccc1 ZINC000925666600 627774023 /nfs/dbraw/zinc/77/40/23/627774023.db2.gz MXRKIXASSSTBNN-SFHVURJKSA-N 2 1 308.429 3.175 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925684470 627775748 /nfs/dbraw/zinc/77/57/48/627775748.db2.gz AKZYCQFAJOJSCJ-JFIYKMOQSA-N 2 1 300.446 3.206 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1nccc2ccccc21 ZINC000925775106 627793214 /nfs/dbraw/zinc/79/32/14/627793214.db2.gz DKTRLJGYSXVZDR-JSGCOSHPSA-N 2 1 305.372 3.130 20 0 DGADMP c1cc2c(c(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)n1)CCCC2 ZINC000925806918 627798668 /nfs/dbraw/zinc/79/86/68/627798668.db2.gz SJDHCROPOKSCKH-MOPGFXCFSA-N 2 1 313.489 3.218 20 0 DGADMP C[C@@H](N)[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819896 627799849 /nfs/dbraw/zinc/79/98/49/627799849.db2.gz ARPVSBUPZHZHAQ-OTBHMBEGSA-N 2 1 315.505 3.462 20 0 DGADMP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCCN1 ZINC000925821709 627801033 /nfs/dbraw/zinc/80/10/33/627801033.db2.gz HWRFIOATMZYRQA-CXUOOODFSA-N 2 1 307.526 3.294 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CCN3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000925837597 627803509 /nfs/dbraw/zinc/80/35/09/627803509.db2.gz RCCAPANHQPDAEV-WOJBJXKFSA-N 2 1 321.468 3.132 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCNCC2)C2CC2)cc1 ZINC000925843098 627804731 /nfs/dbraw/zinc/80/47/31/627804731.db2.gz CGUBUNXMFHSQLV-HXUWFJFHSA-N 2 1 315.505 3.111 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000926120210 627847554 /nfs/dbraw/zinc/84/75/54/627847554.db2.gz VQLGCUJOTLXUQB-OWCLPIDISA-N 2 1 317.477 3.394 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000926120210 627847555 /nfs/dbraw/zinc/84/75/55/627847555.db2.gz VQLGCUJOTLXUQB-OWCLPIDISA-N 2 1 317.477 3.394 20 0 DGADMP C[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926468580 627900287 /nfs/dbraw/zinc/90/02/87/627900287.db2.gz HVPBDIMTGAOKCT-VNVJMFPYSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]1[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000926559466 627914131 /nfs/dbraw/zinc/91/41/31/627914131.db2.gz OMOGQEJGUQYLAZ-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926573963 627916454 /nfs/dbraw/zinc/91/64/54/627916454.db2.gz QYKCPEMYWBMQPG-HOTGVXAUSA-N 2 1 304.478 3.297 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H](C)O)CC1 ZINC000926731752 627942752 /nfs/dbraw/zinc/94/27/52/627942752.db2.gz LUJSAGQEMRPZCS-QFBILLFUSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739152 627943812 /nfs/dbraw/zinc/94/38/12/627943812.db2.gz OQZQWXPXFMPJSX-GDBMZVCRSA-N 2 1 316.445 3.188 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739152 627943813 /nfs/dbraw/zinc/94/38/13/627943813.db2.gz OQZQWXPXFMPJSX-GDBMZVCRSA-N 2 1 316.445 3.188 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926754603 627947408 /nfs/dbraw/zinc/94/74/08/627947408.db2.gz PRDGPNULOACMBD-ZHALLVOQSA-N 2 1 301.478 3.114 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894287 627954329 /nfs/dbraw/zinc/95/43/29/627954329.db2.gz LDHSLFWTUUCYGT-SQNIBIBYSA-N 2 1 304.478 3.138 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000817902030 627957196 /nfs/dbraw/zinc/95/71/96/627957196.db2.gz GWBQZHAHXDMSLL-OEPMTFCVSA-N 2 1 321.424 3.367 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000817905688 627958299 /nfs/dbraw/zinc/95/82/99/627958299.db2.gz MEDVTXFDYZRRPI-MGPQQGTHSA-N 2 1 317.260 3.276 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805249 627958439 /nfs/dbraw/zinc/95/84/39/627958439.db2.gz PCRAESCIHQKJLS-VQIMIIECSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805249 627958444 /nfs/dbraw/zinc/95/84/44/627958444.db2.gz PCRAESCIHQKJLS-VQIMIIECSA-N 2 1 301.478 3.399 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])CCC2 ZINC000817922560 627962595 /nfs/dbraw/zinc/96/25/95/627962595.db2.gz YSCHMZFPJCLURR-JLZZUVOBSA-N 2 1 315.486 3.377 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC000817927355 627964195 /nfs/dbraw/zinc/96/41/95/627964195.db2.gz JXJSBMMBNLRYRW-IKGGRYGDSA-N 2 1 320.795 3.247 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817932708 627965921 /nfs/dbraw/zinc/96/59/21/627965921.db2.gz WPMMFSORSKBMRE-OWCLPIDISA-N 2 1 307.869 3.444 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C1CC3(C1)CCCCC3)C2 ZINC000926879355 627968548 /nfs/dbraw/zinc/96/85/48/627968548.db2.gz KBWUNUWGZIIKIQ-FTEYMNFISA-N 2 1 320.521 3.169 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc(C[NH+](C)C)c1 ZINC000926881730 627969279 /nfs/dbraw/zinc/96/92/79/627969279.db2.gz DNQNBJBZRYYTMH-OAHLLOKOSA-N 2 1 312.461 3.060 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000817958660 627974994 /nfs/dbraw/zinc/97/49/94/627974994.db2.gz LGRBWOXUSNONGX-KBXCAEBGSA-N 2 1 320.477 3.400 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1SC(F)F ZINC000817961088 627975439 /nfs/dbraw/zinc/97/54/39/627975439.db2.gz UNJITEVISWVTLW-CABZTGNLSA-N 2 1 316.417 3.398 20 0 DGADMP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926910590 627978093 /nfs/dbraw/zinc/97/80/93/627978093.db2.gz JMNKOCZZFNPOEG-DOTOQJQBSA-N 2 1 312.457 3.463 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817978867 627981560 /nfs/dbraw/zinc/98/15/60/627981560.db2.gz FWOFRSHTPOGYNF-CRAIPNDOSA-N 3 1 319.493 3.069 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000927019424 627999039 /nfs/dbraw/zinc/99/90/39/627999039.db2.gz SJAYJFXDPYCTOF-IYWMVGAKSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000818616352 628043549 /nfs/dbraw/zinc/04/35/49/628043549.db2.gz VEDGSBAWIIWKOF-ZEGGKSINSA-N 2 1 302.249 3.496 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000818959252 628067294 /nfs/dbraw/zinc/06/72/94/628067294.db2.gz GTVHEDAXEOBGGP-OXJNMPFZSA-N 2 1 318.505 3.439 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000818959271 628067301 /nfs/dbraw/zinc/06/73/01/628067301.db2.gz HCFZPCQXOZAFCJ-DNVCBOLYSA-N 2 1 322.468 3.269 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000818959348 628067489 /nfs/dbraw/zinc/06/74/89/628067489.db2.gz IKMMQJRQUQQYAX-MAUKXSAKSA-N 2 1 324.896 3.475 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000818960081 628067529 /nfs/dbraw/zinc/06/75/29/628067529.db2.gz XHZNICKLAYDWSX-PKOBYXMFSA-N 2 1 304.478 3.273 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000818959210 628067666 /nfs/dbraw/zinc/06/76/66/628067666.db2.gz FSGGDMZAIUWHLZ-LPHOPBHVSA-N 2 1 304.478 3.130 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C(C)C ZINC000819125991 628096036 /nfs/dbraw/zinc/09/60/36/628096036.db2.gz MHYKYRSJLLBLRQ-QGZVFWFLSA-N 2 1 314.420 3.097 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1cc(F)ccc1F)C(C)C ZINC000819126350 628096101 /nfs/dbraw/zinc/09/61/01/628096101.db2.gz OJPBFRNYGZKTMG-QGZVFWFLSA-N 2 1 314.420 3.097 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819285250 628127112 /nfs/dbraw/zinc/12/71/12/628127112.db2.gz ZMTSYHSJZBFXEQ-VQTJNVASSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H](CCO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820812608 628299496 /nfs/dbraw/zinc/29/94/96/628299496.db2.gz OGIWGEQPCSWBPY-VOBGVNJCSA-N 2 1 316.489 3.180 20 0 DGADMP Fc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(F)c1 ZINC000820812709 628299649 /nfs/dbraw/zinc/29/96/49/628299649.db2.gz QPDUAADTGPNVEA-VHRNVKJDSA-N 2 1 322.399 3.091 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823471993 628566509 /nfs/dbraw/zinc/56/65/09/628566509.db2.gz ZHGRVVFKLYQCBD-UHFFFAOYSA-N 2 1 313.848 3.428 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958044 629008233 /nfs/dbraw/zinc/00/82/33/629008233.db2.gz QEOIWHBGIXTXCN-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958044 629008237 /nfs/dbraw/zinc/00/82/37/629008237.db2.gz QEOIWHBGIXTXCN-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958044 629008245 /nfs/dbraw/zinc/00/82/45/629008245.db2.gz QEOIWHBGIXTXCN-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827958044 629008249 /nfs/dbraw/zinc/00/82/49/629008249.db2.gz QEOIWHBGIXTXCN-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000102780631 630239098 /nfs/dbraw/zinc/23/90/98/630239098.db2.gz PYPLJGDLYCOUDX-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840808628 630360904 /nfs/dbraw/zinc/36/09/04/630360904.db2.gz NFCFYHSPKWMHSO-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000841076871 630405064 /nfs/dbraw/zinc/40/50/64/630405064.db2.gz RVTOVJBELTZEOU-HZPDHXFCSA-N 2 1 313.445 3.103 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC1(C)C ZINC000841756816 630462971 /nfs/dbraw/zinc/46/29/71/630462971.db2.gz AMGBKXCRMXESRV-KSZLIROESA-N 2 1 308.510 3.434 20 0 DGADMP Clc1ccc(OC[C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000842472313 630538939 /nfs/dbraw/zinc/53/89/39/630538939.db2.gz WJBQDHXSXKNGNJ-ZBFHGGJFSA-N 2 1 308.853 3.183 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(C)cccc3C2)cc1 ZINC000842472536 630538947 /nfs/dbraw/zinc/53/89/47/630538947.db2.gz YQKBSOQSFNKMPH-SFHVURJKSA-N 2 1 310.441 3.104 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000842476478 630539874 /nfs/dbraw/zinc/53/98/74/630539874.db2.gz PMFAPBKJQFVMJH-QGZVFWFLSA-N 2 1 314.477 3.410 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@@H](C)C[NH2+]C)no2)cc1 ZINC000842582806 630550366 /nfs/dbraw/zinc/55/03/66/630550366.db2.gz KKUDVBSYUKGTJE-AWEZNQCLSA-N 2 1 316.449 3.291 20 0 DGADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CO1 ZINC000842692843 630564229 /nfs/dbraw/zinc/56/42/29/630564229.db2.gz RGIIWNBGQOVTMM-CRAIPNDOSA-N 2 1 317.477 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000842706927 630566204 /nfs/dbraw/zinc/56/62/04/630566204.db2.gz HKNZCPODDOJRAS-IFNDBITQSA-N 2 1 314.473 3.339 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)F)c(F)c1 ZINC000843053974 630608773 /nfs/dbraw/zinc/60/87/73/630608773.db2.gz OAKMSLTVLWOFAB-YHWZYXNKSA-N 2 1 314.351 3.271 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)c(F)c1 ZINC000843053974 630608776 /nfs/dbraw/zinc/60/87/76/630608776.db2.gz OAKMSLTVLWOFAB-YHWZYXNKSA-N 2 1 314.351 3.271 20 0 DGADMP CCCCn1nc(C)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1Cl ZINC000843056007 630609445 /nfs/dbraw/zinc/60/94/45/630609445.db2.gz WANXIEFXPVGNKF-UHFFFAOYSA-N 2 1 312.889 3.347 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000843065980 630610311 /nfs/dbraw/zinc/61/03/11/630610311.db2.gz ODVPTVLRBPEAKB-IXDOHACOSA-N 2 1 322.518 3.416 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)oc21 ZINC000843125328 630616428 /nfs/dbraw/zinc/61/64/28/630616428.db2.gz SMWPEPKJNLYTJD-CVEARBPZSA-N 2 1 314.429 3.263 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343008 630647667 /nfs/dbraw/zinc/64/76/67/630647667.db2.gz QLEQNYQYJWJKMS-IEBWSBKVSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343008 630647669 /nfs/dbraw/zinc/64/76/69/630647669.db2.gz QLEQNYQYJWJKMS-IEBWSBKVSA-N 3 1 303.494 3.006 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)c2cc1C(C)C ZINC000843348613 630648364 /nfs/dbraw/zinc/64/83/64/630648364.db2.gz TWGNRQPIKPNYRI-AWEZNQCLSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](C[NH3+])C3)c2cc1C(C)C ZINC000843348613 630648366 /nfs/dbraw/zinc/64/83/66/630648366.db2.gz TWGNRQPIKPNYRI-AWEZNQCLSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+](C)CCC[NH3+])c2cc1C(C)C ZINC000843351412 630648877 /nfs/dbraw/zinc/64/88/77/630648877.db2.gz SLAVZNFBQXPOFJ-UHFFFAOYSA-N 2 1 302.418 3.005 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)CCC[NH3+])c2cc1C(C)C ZINC000843351412 630648878 /nfs/dbraw/zinc/64/88/78/630648878.db2.gz SLAVZNFBQXPOFJ-UHFFFAOYSA-N 2 1 302.418 3.005 20 0 DGADMP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CCC([NH3+])CC1 ZINC000843355735 630649479 /nfs/dbraw/zinc/64/94/79/630649479.db2.gz VWZICGVMOPHSLX-UHFFFAOYSA-N 2 1 303.381 3.182 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCCC[C@H]3CC[NH3+])cc(=O)oc2c1C ZINC000843384655 630650948 /nfs/dbraw/zinc/65/09/48/630650948.db2.gz WHXCJMULKWXNQH-INIZCTEOSA-N 2 1 314.429 3.113 20 0 DGADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844221209 630712686 /nfs/dbraw/zinc/71/26/86/630712686.db2.gz KKPOIXIBAZUYAT-IBGZPJMESA-N 2 1 303.494 3.102 20 0 DGADMP CC(C)Oc1ccnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000844325840 630719112 /nfs/dbraw/zinc/71/91/12/630719112.db2.gz ZKGJANHITOMBTP-UHFFFAOYSA-N 2 1 317.477 3.177 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOC2CCCCCC2)C1 ZINC000846226782 631215886 /nfs/dbraw/zinc/21/58/86/631215886.db2.gz BUJYPPNWUYKPSL-BHIYHBOVSA-N 2 1 324.509 3.087 20 0 DGADMP CC(C)c1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000848549210 631688388 /nfs/dbraw/zinc/68/83/88/631688388.db2.gz PFLLEWNYQSOOQP-QGZVFWFLSA-N 2 1 304.478 3.401 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000848549789 631688414 /nfs/dbraw/zinc/68/84/14/631688414.db2.gz UKQIVJRMGYHQEC-OXQOHEQNSA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549789 631688418 /nfs/dbraw/zinc/68/84/18/631688418.db2.gz UKQIVJRMGYHQEC-OXQOHEQNSA-N 2 1 324.472 3.348 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000849009930 631805776 /nfs/dbraw/zinc/80/57/76/631805776.db2.gz LUCJTGLMEBZTAF-GZBFAFLISA-N 2 1 308.495 3.043 20 0 DGADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849023176 631809358 /nfs/dbraw/zinc/80/93/58/631809358.db2.gz UQXBKTJZCPRHFF-UHFFFAOYSA-N 2 1 310.392 3.023 20 0 DGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)c1ccccc1 ZINC000849055803 631821589 /nfs/dbraw/zinc/82/15/89/631821589.db2.gz DEJWIOZWCCRGSF-SJLPKXTDSA-N 2 1 316.493 3.326 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000849059575 631823532 /nfs/dbraw/zinc/82/35/32/631823532.db2.gz UWYVWTNNSMYHTD-GJZGRUSLSA-N 2 1 302.466 3.306 20 0 DGADMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCCC[C@@H]1C ZINC000849061677 631824032 /nfs/dbraw/zinc/82/40/32/631824032.db2.gz XPQZGAWWZPQZED-LSDHHAIUSA-N 2 1 314.477 3.374 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849111256 631838524 /nfs/dbraw/zinc/83/85/24/631838524.db2.gz VXDSENWPKMXATG-KRWDZBQOSA-N 2 1 314.477 3.232 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850433991 632151949 /nfs/dbraw/zinc/15/19/49/632151949.db2.gz SZGHJPAQIQGQKL-KURKYZTESA-N 2 1 322.880 3.114 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850433991 632151952 /nfs/dbraw/zinc/15/19/52/632151952.db2.gz SZGHJPAQIQGQKL-KURKYZTESA-N 2 1 322.880 3.114 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000850465977 632161459 /nfs/dbraw/zinc/16/14/59/632161459.db2.gz HXLFQEAZGZVDAT-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850474290 632163559 /nfs/dbraw/zinc/16/35/59/632163559.db2.gz LGWRSPHIRVVZQG-HZPDHXFCSA-N 2 1 302.462 3.394 20 0 DGADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850558480 632192516 /nfs/dbraw/zinc/19/25/16/632192516.db2.gz SNXYPUMRDIRSPL-HNNXBMFYSA-N 2 1 317.260 3.101 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572369 632198347 /nfs/dbraw/zinc/19/83/47/632198347.db2.gz CFFNBLTWDUWMMH-ZSGPHXLJSA-N 2 1 324.896 3.470 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572369 632198351 /nfs/dbraw/zinc/19/83/51/632198351.db2.gz CFFNBLTWDUWMMH-ZSGPHXLJSA-N 2 1 324.896 3.470 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851774691 632490739 /nfs/dbraw/zinc/49/07/39/632490739.db2.gz ZNMHAKYQKHTMJG-SQNIBIBYSA-N 2 1 324.509 3.114 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851774691 632490740 /nfs/dbraw/zinc/49/07/40/632490740.db2.gz ZNMHAKYQKHTMJG-SQNIBIBYSA-N 2 1 324.509 3.114 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851774691 632490743 /nfs/dbraw/zinc/49/07/43/632490743.db2.gz ZNMHAKYQKHTMJG-SQNIBIBYSA-N 2 1 324.509 3.114 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851813295 632501052 /nfs/dbraw/zinc/50/10/52/632501052.db2.gz RPMDFGIZERBUMA-SJLPKXTDSA-N 2 1 324.509 3.114 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](NCC=C(Cl)Cl)[C@H](C)C1 ZINC000851947251 632528165 /nfs/dbraw/zinc/52/81/65/632528165.db2.gz PKNSTVGJIMXCAQ-OLZOCXBDSA-N 2 1 309.281 3.032 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000355828645 660331524 /nfs/dbraw/zinc/33/15/24/660331524.db2.gz ZKMUMYIZOFDVKG-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000355828645 660331526 /nfs/dbraw/zinc/33/15/26/660331526.db2.gz ZKMUMYIZOFDVKG-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000355828645 660331527 /nfs/dbraw/zinc/33/15/27/660331527.db2.gz ZKMUMYIZOFDVKG-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1 ZINC000453106429 660484990 /nfs/dbraw/zinc/48/49/90/660484990.db2.gz JFHFOWWDQRVWDG-ROUUACIJSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708523848 660924124 /nfs/dbraw/zinc/92/41/24/660924124.db2.gz RTWXPOJJJUYIHE-IZBJGVDFSA-N 2 1 316.489 3.159 20 0 DGADMP Brc1c[nH+]ccc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261582671 655653088 /nfs/dbraw/zinc/65/30/88/655653088.db2.gz GUCYGQFODNENKJ-OAHLLOKOSA-N 2 1 318.218 3.143 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000723675181 655715630 /nfs/dbraw/zinc/71/56/30/655715630.db2.gz POIGJSDLRBMREV-JTQLQIEISA-N 2 1 317.658 3.273 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934320913 655767448 /nfs/dbraw/zinc/76/74/48/655767448.db2.gz PICMIWMTAJMZFW-KRWDZBQOSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934320913 655767449 /nfs/dbraw/zinc/76/74/49/655767449.db2.gz PICMIWMTAJMZFW-KRWDZBQOSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934412802 655774730 /nfs/dbraw/zinc/77/47/30/655774730.db2.gz HOWKTZLQLZYSIQ-UHFFFAOYSA-N 2 1 323.444 3.494 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934412802 655774732 /nfs/dbraw/zinc/77/47/32/655774732.db2.gz HOWKTZLQLZYSIQ-UHFFFAOYSA-N 2 1 323.444 3.494 20 0 DGADMP C[C@]1(C[NH2+]Cc2cccc(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000309929965 655887258 /nfs/dbraw/zinc/88/72/58/655887258.db2.gz YRAVZQKJLYPDLK-HXUWFJFHSA-N 2 1 310.441 3.394 20 0 DGADMP C[C@]1(C[NH2+]Cc2cccc(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309929965 655887259 /nfs/dbraw/zinc/88/72/59/655887259.db2.gz YRAVZQKJLYPDLK-HXUWFJFHSA-N 2 1 310.441 3.394 20 0 DGADMP C1CC([C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]2CCOC2)C1 ZINC000926706512 655934507 /nfs/dbraw/zinc/93/45/07/655934507.db2.gz HWDYSNCDZKUOSV-AOIWGVFYSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC([C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]2CCOC2)C1 ZINC000926706512 655934508 /nfs/dbraw/zinc/93/45/08/655934508.db2.gz HWDYSNCDZKUOSV-AOIWGVFYSA-N 2 1 306.494 3.188 20 0 DGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)[C@@H]2CCCC[C@@H]21 ZINC000122336732 656041574 /nfs/dbraw/zinc/04/15/74/656041574.db2.gz ADVOSNLNHIGTAQ-ZJPYXAASSA-N 2 1 308.510 3.028 20 0 DGADMP Cc1cc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000309740118 656116921 /nfs/dbraw/zinc/11/69/21/656116921.db2.gz RRBDZNXLFXTMPW-IBGZPJMESA-N 2 1 310.445 3.418 20 0 DGADMP Cc1cc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000309740118 656116928 /nfs/dbraw/zinc/11/69/28/656116928.db2.gz RRBDZNXLFXTMPW-IBGZPJMESA-N 2 1 310.445 3.418 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000309748655 656117305 /nfs/dbraw/zinc/11/73/05/656117305.db2.gz VHVOAGZPOWJZTO-MSOLQXFVSA-N 2 1 304.503 3.384 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185270548 656125404 /nfs/dbraw/zinc/12/54/04/656125404.db2.gz UIUVLMALOTVAKT-LLVKDONJSA-N 2 1 322.796 3.179 20 0 DGADMP C[C@H]([NH3+])[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707620 656226886 /nfs/dbraw/zinc/22/68/86/656226886.db2.gz PKOCUZPMBDGPAF-VDZJLULYSA-N 2 1 301.478 3.072 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC)CC1 ZINC001052860560 656778009 /nfs/dbraw/zinc/77/80/09/656778009.db2.gz UUPWYRYTEHHLIA-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC)CC1 ZINC001052860560 656778012 /nfs/dbraw/zinc/77/80/12/656778012.db2.gz UUPWYRYTEHHLIA-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC)CC1 ZINC001052860560 656778016 /nfs/dbraw/zinc/77/80/16/656778016.db2.gz UUPWYRYTEHHLIA-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000318971577 656879497 /nfs/dbraw/zinc/87/94/97/656879497.db2.gz DWGIBBGLVMYGGI-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP COCc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1OC ZINC000319131970 656908692 /nfs/dbraw/zinc/90/86/92/656908692.db2.gz OZXBGZXYHLZEQC-HNNXBMFYSA-N 2 1 308.466 3.223 20 0 DGADMP COCc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1OC ZINC000319131970 656908694 /nfs/dbraw/zinc/90/86/94/656908694.db2.gz OZXBGZXYHLZEQC-HNNXBMFYSA-N 2 1 308.466 3.223 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957362 657256391 /nfs/dbraw/zinc/25/63/91/657256391.db2.gz OTWVTFDUIITHHP-TZMCWYRMSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957362 657256395 /nfs/dbraw/zinc/25/63/95/657256395.db2.gz OTWVTFDUIITHHP-TZMCWYRMSA-N 2 1 308.853 3.298 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCC ZINC000262067374 657305152 /nfs/dbraw/zinc/30/51/52/657305152.db2.gz RSUMAEUVWZWNCM-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262098520 657355151 /nfs/dbraw/zinc/35/51/51/657355151.db2.gz VIZVGPJJYHHKII-UHFFFAOYSA-N 2 1 314.351 3.161 20 0 DGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060077 657547053 /nfs/dbraw/zinc/54/70/53/657547053.db2.gz WYAUNSXGECGWFO-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969060077 657547060 /nfs/dbraw/zinc/54/70/60/657547060.db2.gz WYAUNSXGECGWFO-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562126 657639654 /nfs/dbraw/zinc/63/96/54/657639654.db2.gz ISPCTLAZANGBGN-PBHICJAKSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562126 657639658 /nfs/dbraw/zinc/63/96/58/657639658.db2.gz ISPCTLAZANGBGN-PBHICJAKSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562126 657639660 /nfs/dbraw/zinc/63/96/60/657639660.db2.gz ISPCTLAZANGBGN-PBHICJAKSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562126 657639663 /nfs/dbraw/zinc/63/96/63/657639663.db2.gz ISPCTLAZANGBGN-PBHICJAKSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1 ZINC000305126114 657684573 /nfs/dbraw/zinc/68/45/73/657684573.db2.gz IKAQTKDPXMARPO-INIZCTEOSA-N 2 1 318.486 3.399 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)oc21 ZINC000314868466 658681082 /nfs/dbraw/zinc/68/10/82/658681082.db2.gz FWPAQKVJNHUIRJ-AWEZNQCLSA-N 2 1 302.418 3.261 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)oc21 ZINC000314868466 658681089 /nfs/dbraw/zinc/68/10/89/658681089.db2.gz FWPAQKVJNHUIRJ-AWEZNQCLSA-N 2 1 302.418 3.261 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000164726245 658943413 /nfs/dbraw/zinc/94/34/13/658943413.db2.gz AXZZTTOTDWSMAP-SJLPKXTDSA-N 2 1 312.461 3.027 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC000228474442 659192474 /nfs/dbraw/zinc/19/24/74/659192474.db2.gz ASHHIGFUGGQNOX-BPLDGKMQSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC000228474442 659192476 /nfs/dbraw/zinc/19/24/76/659192476.db2.gz ASHHIGFUGGQNOX-BPLDGKMQSA-N 2 1 309.251 3.008 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929470590 659451886 /nfs/dbraw/zinc/45/18/86/659451886.db2.gz NTNUEQRVHLXUHS-HUUCEWRRSA-N 2 1 322.415 3.291 20 0 DGADMP Fc1cccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930061215 659902204 /nfs/dbraw/zinc/90/22/04/659902204.db2.gz PDZCYFGDVFVBNQ-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930061215 659902206 /nfs/dbraw/zinc/90/22/06/659902206.db2.gz PDZCYFGDVFVBNQ-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930061215 659902210 /nfs/dbraw/zinc/90/22/10/659902210.db2.gz PDZCYFGDVFVBNQ-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930061634 659902357 /nfs/dbraw/zinc/90/23/57/659902357.db2.gz ULHLOCBKQLHRME-NEWSRXKRSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930061634 659902359 /nfs/dbraw/zinc/90/23/59/659902359.db2.gz ULHLOCBKQLHRME-NEWSRXKRSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930061634 659902362 /nfs/dbraw/zinc/90/23/62/659902362.db2.gz ULHLOCBKQLHRME-NEWSRXKRSA-N 2 1 318.505 3.427 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000070190000 660040680 /nfs/dbraw/zinc/04/06/80/660040680.db2.gz PMQVIUVEXKHULN-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCN1C ZINC000929782366 661337974 /nfs/dbraw/zinc/33/79/74/661337974.db2.gz MDGTVWWHLYMIKZ-XLNGHYISSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782366 661337977 /nfs/dbraw/zinc/33/79/77/661337977.db2.gz MDGTVWWHLYMIKZ-XLNGHYISSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782366 661337980 /nfs/dbraw/zinc/33/79/80/661337980.db2.gz MDGTVWWHLYMIKZ-XLNGHYISSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782366 661337984 /nfs/dbraw/zinc/33/79/84/661337984.db2.gz MDGTVWWHLYMIKZ-XLNGHYISSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782366 661337987 /nfs/dbraw/zinc/33/79/87/661337987.db2.gz MDGTVWWHLYMIKZ-XLNGHYISSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782366 661337990 /nfs/dbraw/zinc/33/79/90/661337990.db2.gz MDGTVWWHLYMIKZ-XLNGHYISSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782366 661337994 /nfs/dbraw/zinc/33/79/94/661337994.db2.gz MDGTVWWHLYMIKZ-XLNGHYISSA-N 2 1 308.416 3.450 20 0 DGADMP CC1=C(C(=O)Nc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C(C)C ZINC000929810238 661340607 /nfs/dbraw/zinc/34/06/07/661340607.db2.gz PTPOXWSSHPBPHK-UHFFFAOYSA-N 2 1 301.434 3.075 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848715 661344187 /nfs/dbraw/zinc/34/41/87/661344187.db2.gz UBCFNJKSEFIIPU-FUHWJXTLSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848715 661344189 /nfs/dbraw/zinc/34/41/89/661344189.db2.gz UBCFNJKSEFIIPU-FUHWJXTLSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848715 661344190 /nfs/dbraw/zinc/34/41/90/661344190.db2.gz UBCFNJKSEFIIPU-FUHWJXTLSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848715 661344192 /nfs/dbraw/zinc/34/41/92/661344192.db2.gz UBCFNJKSEFIIPU-FUHWJXTLSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848715 661344193 /nfs/dbraw/zinc/34/41/93/661344193.db2.gz UBCFNJKSEFIIPU-FUHWJXTLSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848717 661344506 /nfs/dbraw/zinc/34/45/06/661344506.db2.gz UBCFNJKSEFIIPU-SJLPKXTDSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848717 661344508 /nfs/dbraw/zinc/34/45/08/661344508.db2.gz UBCFNJKSEFIIPU-SJLPKXTDSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848717 661344510 /nfs/dbraw/zinc/34/45/10/661344510.db2.gz UBCFNJKSEFIIPU-SJLPKXTDSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848717 661344512 /nfs/dbraw/zinc/34/45/12/661344512.db2.gz UBCFNJKSEFIIPU-SJLPKXTDSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000929848717 661344513 /nfs/dbraw/zinc/34/45/13/661344513.db2.gz UBCFNJKSEFIIPU-SJLPKXTDSA-N 2 1 311.429 3.258 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000930001772 661357303 /nfs/dbraw/zinc/35/73/03/661357303.db2.gz WFBHHUSVGZYPLZ-CBBWQLFWSA-N 2 1 322.415 3.149 20 0 DGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000930309798 661387554 /nfs/dbraw/zinc/38/75/54/661387554.db2.gz MYNPWCVEGMRDSD-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1[nH]c(CN(CC[NH+]2CCCCCC2)C2CCC2)c(C)[nH+]1 ZINC000930490009 661404334 /nfs/dbraw/zinc/40/43/34/661404334.db2.gz YLABWXOAAWLWRR-UHFFFAOYSA-N 2 1 304.482 3.257 20 0 DGADMP CCCC[N@@H+](CCC1OCCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032851 661447200 /nfs/dbraw/zinc/44/72/00/661447200.db2.gz AJHHOQCSBZLDRP-UHFFFAOYSA-N 2 1 312.498 3.161 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)C3CC3)C2)ccn1 ZINC000931095074 661451690 /nfs/dbraw/zinc/45/16/90/661451690.db2.gz ROAQQWOUEHMWNC-HNAYVOBHSA-N 2 1 317.477 3.173 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)C3CC3)C2)ccn1 ZINC000931095074 661451694 /nfs/dbraw/zinc/45/16/94/661451694.db2.gz ROAQQWOUEHMWNC-HNAYVOBHSA-N 2 1 317.477 3.173 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288387 661464484 /nfs/dbraw/zinc/46/44/84/661464484.db2.gz HONDNXPUEQESNF-QGZVFWFLSA-N 2 1 302.462 3.243 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288387 661464487 /nfs/dbraw/zinc/46/44/87/661464487.db2.gz HONDNXPUEQESNF-QGZVFWFLSA-N 2 1 302.462 3.243 20 0 DGADMP C[C@H](CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314890 661466474 /nfs/dbraw/zinc/46/64/74/661466474.db2.gz RNILWMWUGTZRSM-HOJAQTOUSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931318414 661467089 /nfs/dbraw/zinc/46/70/89/661467089.db2.gz TWIGTCLCPSHMEI-RLLQIKCJSA-N 2 1 316.489 3.113 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931318414 661467090 /nfs/dbraw/zinc/46/70/90/661467090.db2.gz TWIGTCLCPSHMEI-RLLQIKCJSA-N 2 1 316.489 3.113 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931318414 661467091 /nfs/dbraw/zinc/46/70/91/661467091.db2.gz TWIGTCLCPSHMEI-RLLQIKCJSA-N 2 1 316.489 3.113 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931318414 661467092 /nfs/dbraw/zinc/46/70/92/661467092.db2.gz TWIGTCLCPSHMEI-RLLQIKCJSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)co2)cc1 ZINC000931432570 661476198 /nfs/dbraw/zinc/47/61/98/661476198.db2.gz VPHZSHNPKMNXRL-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)co2)cc1 ZINC000931432570 661476200 /nfs/dbraw/zinc/47/62/00/661476200.db2.gz VPHZSHNPKMNXRL-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)co2)cc1 ZINC000931432570 661476202 /nfs/dbraw/zinc/47/62/02/661476202.db2.gz VPHZSHNPKMNXRL-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)co2)cc1 ZINC000931432570 661476204 /nfs/dbraw/zinc/47/62/04/661476204.db2.gz VPHZSHNPKMNXRL-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP CC(C)C[N@H+](Cc1c(F)cncc1F)CC1CC[NH+](C)CC1 ZINC000931561352 661488756 /nfs/dbraw/zinc/48/87/56/661488756.db2.gz HLPCHJBFDZQKTP-UHFFFAOYSA-N 2 1 311.420 3.160 20 0 DGADMP CC(C)C[N@@H+](CCSc1ccncc1)CC1CC[NH+](C)CC1 ZINC000931561641 661489004 /nfs/dbraw/zinc/48/90/04/661489004.db2.gz LCSFVUYNCZKSTR-UHFFFAOYSA-N 2 1 321.534 3.474 20 0 DGADMP Cc1cccc([C@@H](O)C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000931611885 661492765 /nfs/dbraw/zinc/49/27/65/661492765.db2.gz NFIPJXVFHOOBMH-IBGZPJMESA-N 2 1 316.489 3.369 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCSc1ccncc1 ZINC000931704179 661499844 /nfs/dbraw/zinc/49/98/44/661499844.db2.gz QTAVFUIILZMVRJ-UHFFFAOYSA-N 2 1 307.507 3.372 20 0 DGADMP C[C@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OCc1ccccc1 ZINC000931720648 661502393 /nfs/dbraw/zinc/50/23/93/661502393.db2.gz VLUHRMUPEGTLLQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H](CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OCc1ccccc1 ZINC000931720648 661502396 /nfs/dbraw/zinc/50/23/96/661502396.db2.gz VLUHRMUPEGTLLQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H](CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)OCc1ccccc1 ZINC000931720648 661502397 /nfs/dbraw/zinc/50/23/97/661502397.db2.gz VLUHRMUPEGTLLQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H](CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)OCc1ccccc1 ZINC000931720648 661502400 /nfs/dbraw/zinc/50/24/00/661502400.db2.gz VLUHRMUPEGTLLQ-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933084327 661616999 /nfs/dbraw/zinc/61/69/99/661616999.db2.gz PKMAICAQPAMGLN-SFHVURJKSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933084327 661617001 /nfs/dbraw/zinc/61/70/01/661617001.db2.gz PKMAICAQPAMGLN-SFHVURJKSA-N 2 1 305.466 3.110 20 0 DGADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000933550697 661640544 /nfs/dbraw/zinc/64/05/44/661640544.db2.gz VLIYFPHFJVBXBQ-IBGZPJMESA-N 2 1 314.473 3.253 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095170 662247291 /nfs/dbraw/zinc/24/72/91/662247291.db2.gz IWYVBQHUQGTFJX-ZFWWWQNUSA-N 2 1 318.852 3.063 20 0 DGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CCCC1)c1ccccc1 ZINC000385858856 685175360 /nfs/dbraw/zinc/17/53/60/685175360.db2.gz GGMXSZKGEBFRMP-KRWDZBQOSA-N 2 1 302.466 3.126 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507811 686670959 /nfs/dbraw/zinc/67/09/59/686670959.db2.gz CAQJIALWLCKNOI-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP C[C@]1(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CCC[NH2+]C1 ZINC001576502626 1191832039 /nfs/dbraw/zinc/83/20/39/1191832039.db2.gz DBVSJTHQRMIULT-LMMKCTJWSA-N 2 1 320.477 3.337 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC[NH2+]1 ZINC001576596754 1191850216 /nfs/dbraw/zinc/85/02/16/1191850216.db2.gz ARXSOURHEJDSBU-ZJPYXAASSA-N 2 1 320.477 3.336 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597304 1191850737 /nfs/dbraw/zinc/85/07/37/1191850737.db2.gz FIGKWJHJAZAVSE-IKGGRYGDSA-N 2 1 318.509 3.206 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(OC(C)(C)C)n1)CC[NH2+]CC2 ZINC001576638350 1191858217 /nfs/dbraw/zinc/85/82/17/1191858217.db2.gz PVJAGVFWWZJNNA-OAHLLOKOSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647429 1191858465 /nfs/dbraw/zinc/85/84/65/1191858465.db2.gz GGYWUSKPYCGHMK-FVVUREQNSA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647429 1191858473 /nfs/dbraw/zinc/85/84/73/1191858473.db2.gz GGYWUSKPYCGHMK-FVVUREQNSA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001576731924 1191865768 /nfs/dbraw/zinc/86/57/68/1191865768.db2.gz OYRHWFOUPNEPIF-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C[C@H]1C[NH3+] ZINC001576735237 1191866137 /nfs/dbraw/zinc/86/61/37/1191866137.db2.gz YBYHTSQGZUNLIR-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001576730980 1191866716 /nfs/dbraw/zinc/86/67/16/1191866716.db2.gz BLRQKNMYVUQXNV-IUODEOHRSA-N 2 1 300.368 3.208 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001576798121 1191870280 /nfs/dbraw/zinc/87/02/80/1191870280.db2.gz MVWAURUCMQZFJP-KBPBESRZSA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801272 1191870368 /nfs/dbraw/zinc/87/03/68/1191870368.db2.gz QEXZEVQEDKRHDN-JIZBTBOESA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801272 1191870370 /nfs/dbraw/zinc/87/03/70/1191870370.db2.gz QEXZEVQEDKRHDN-JIZBTBOESA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2O1 ZINC001576862702 1191871053 /nfs/dbraw/zinc/87/10/53/1191871053.db2.gz PIKNHTUSPUPZLH-NJAFHUGGSA-N 2 1 314.473 3.222 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576857224 1191871285 /nfs/dbraw/zinc/87/12/85/1191871285.db2.gz ZUAYFRWFBSUPKJ-DLTLXFJOSA-N 2 1 308.853 3.229 20 0 DGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576971883 1191877805 /nfs/dbraw/zinc/87/78/05/1191877805.db2.gz ROPFMLUMSZNWEW-WBVHZDCISA-N 2 1 305.466 3.090 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCOC(C)(C)C1 ZINC001577737116 1191914572 /nfs/dbraw/zinc/91/45/72/1191914572.db2.gz RQXMGLBLGNZHNM-SFHVURJKSA-N 2 1 302.462 3.112 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001578427070 1191942364 /nfs/dbraw/zinc/94/23/64/1191942364.db2.gz NXFKEMAZYWPDHI-HKUYNNGSSA-N 2 1 301.478 3.107 20 0 DGADMP C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC(C)(C)[NH3+] ZINC001578468678 1191944690 /nfs/dbraw/zinc/94/46/90/1191944690.db2.gz GRYFGWKWIRNWLH-UHFFFAOYSA-N 2 1 305.397 3.082 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC(C)(C)[NH3+] ZINC001578468678 1191944692 /nfs/dbraw/zinc/94/46/92/1191944692.db2.gz GRYFGWKWIRNWLH-UHFFFAOYSA-N 2 1 305.397 3.082 20 0 DGADMP COc1cccc(-c2csc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n2)c1 ZINC001579253208 1191970262 /nfs/dbraw/zinc/97/02/62/1191970262.db2.gz KRZUACICWVQGRC-VXGBXAGGSA-N 2 1 305.447 3.034 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc3c(cccc3O)s1)C2 ZINC001579475328 1191977290 /nfs/dbraw/zinc/97/72/90/1191977290.db2.gz HSSHVUXZRPWWRH-CALCHBBNSA-N 2 1 302.443 3.038 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc3c(cccc3O)s1)C2 ZINC001579475328 1191977293 /nfs/dbraw/zinc/97/72/93/1191977293.db2.gz HSSHVUXZRPWWRH-CALCHBBNSA-N 2 1 302.443 3.038 20 0 DGADMP Cc1ccc(-n2cnc3c2CC[N@@H+](CCCCCC[NH3+])C3)cc1 ZINC001579656447 1191984706 /nfs/dbraw/zinc/98/47/06/1191984706.db2.gz VMQNUKLZKKVXOV-UHFFFAOYSA-N 2 1 312.461 3.058 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c(Cl)n1 ZINC001579961859 1192000941 /nfs/dbraw/zinc/00/09/41/1192000941.db2.gz UPQAEORITFJHKG-XJKSGUPXSA-N 2 1 324.900 3.193 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC001580876834 1192043556 /nfs/dbraw/zinc/04/35/56/1192043556.db2.gz WXFNQXKRPRDKPB-KZNAEPCWSA-N 2 1 320.477 3.337 20 0 DGADMP OCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC001580881868 1192043562 /nfs/dbraw/zinc/04/35/62/1192043562.db2.gz MBNQIZOJZRYNMH-IAQYHMDHSA-N 2 1 317.260 3.006 20 0 DGADMP OC1(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc2)CCCC1 ZINC001580878100 1192043590 /nfs/dbraw/zinc/04/35/90/1192043590.db2.gz KHFNLOZPPODEBY-SFHVURJKSA-N 2 1 316.489 3.183 20 0 DGADMP c1[nH]c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001580891633 1192044679 /nfs/dbraw/zinc/04/46/79/1192044679.db2.gz DJQKLBVNZNSQCC-QZTJIDSGSA-N 2 1 324.472 3.288 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001620819689 1192155914 /nfs/dbraw/zinc/15/59/14/1192155914.db2.gz ZOHWZOYQJVYJBF-CVEARBPZSA-N 2 1 308.853 3.237 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001620823583 1192190429 /nfs/dbraw/zinc/19/04/29/1192190429.db2.gz AIQBEIAWWRIJKG-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001620823583 1192190430 /nfs/dbraw/zinc/19/04/30/1192190430.db2.gz AIQBEIAWWRIJKG-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001620823583 1192190435 /nfs/dbraw/zinc/19/04/35/1192190435.db2.gz AIQBEIAWWRIJKG-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC001620873244 1192503916 /nfs/dbraw/zinc/50/39/16/1192503916.db2.gz UUMLVZIBRHADJK-PWRODBHTSA-N 2 1 321.468 3.472 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000395120404 1176785248 /nfs/dbraw/zinc/78/52/48/1176785248.db2.gz KDUCBMMPDHDQNF-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000395120404 1176785258 /nfs/dbraw/zinc/78/52/58/1176785258.db2.gz KDUCBMMPDHDQNF-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CCC[C@H](C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000386493954 1177406839 /nfs/dbraw/zinc/40/68/39/1177406839.db2.gz UUHODVDYEGXAGN-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@H+]1CCC[C@H](NCc2cc(Br)ccc2F)CC1 ZINC000086818893 1177545581 /nfs/dbraw/zinc/54/55/81/1177545581.db2.gz AQFFHENGYFQHFQ-ZDUSSCGKSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000086818893 1177545600 /nfs/dbraw/zinc/54/56/00/1177545600.db2.gz AQFFHENGYFQHFQ-ZDUSSCGKSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000086818893 1177545609 /nfs/dbraw/zinc/54/56/09/1177545609.db2.gz AQFFHENGYFQHFQ-ZDUSSCGKSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC000258723787 1178035037 /nfs/dbraw/zinc/03/50/37/1178035037.db2.gz GNHVGFABUGGBOE-AWEZNQCLSA-N 2 1 311.267 3.412 20 0 DGADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331506063 1178229821 /nfs/dbraw/zinc/22/98/21/1178229821.db2.gz WYEWAQZJYDAWEI-KBRIMQKVSA-N 2 1 308.441 3.100 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001331742184 1178276944 /nfs/dbraw/zinc/27/69/44/1178276944.db2.gz AHRVBXVZXYQCLY-UHFFFAOYSA-N 2 1 312.461 3.403 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001331996748 1178331589 /nfs/dbraw/zinc/33/15/89/1178331589.db2.gz ZDDOKTMJIDMTNC-UHFFFAOYSA-N 2 1 307.850 3.301 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001332014548 1178336557 /nfs/dbraw/zinc/33/65/57/1178336557.db2.gz VXBWPWBUXUDLGQ-UHFFFAOYSA-N 2 1 318.852 3.433 20 0 DGADMP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)sc2C1 ZINC001332235971 1178401271 /nfs/dbraw/zinc/40/12/71/1178401271.db2.gz ASKYISONBXITFF-CHWSQXEVSA-N 2 1 307.507 3.136 20 0 DGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001332334572 1178422505 /nfs/dbraw/zinc/42/25/05/1178422505.db2.gz MOVHFBZIVMAJBX-BPIHKTFHSA-N 2 1 316.489 3.479 20 0 DGADMP c1oc2ccccc2c1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001332723789 1178483405 /nfs/dbraw/zinc/48/34/05/1178483405.db2.gz HQUFXSOBYQQHPC-UHFFFAOYSA-N 2 1 314.429 3.166 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001333021079 1178540534 /nfs/dbraw/zinc/54/05/34/1178540534.db2.gz BORAPXXRSWMQSH-CVEARBPZSA-N 2 1 305.466 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(Cl)c(F)c3)C[C@@H]2C1 ZINC001333892997 1178691258 /nfs/dbraw/zinc/69/12/58/1178691258.db2.gz WHTAWSDRCSFQJF-HZSPNIEDSA-N 2 1 311.832 3.036 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334358259 1178753626 /nfs/dbraw/zinc/75/36/26/1178753626.db2.gz XPQWNJMTHSHLIT-RCCFBDPRSA-N 2 1 318.509 3.243 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC001334826611 1178807493 /nfs/dbraw/zinc/80/74/93/1178807493.db2.gz GANGKHXYGPWOHX-FQEVSTJZSA-N 2 1 324.472 3.053 20 0 DGADMP CC[C@H](NC[C@H]1CCC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521132 1178926054 /nfs/dbraw/zinc/92/60/54/1178926054.db2.gz LKGIUKSJUHXUBO-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521132 1178926055 /nfs/dbraw/zinc/92/60/55/1178926055.db2.gz LKGIUKSJUHXUBO-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nccc4ccccc43)C[C@H]2C1 ZINC001335582347 1178933514 /nfs/dbraw/zinc/93/35/14/1178933514.db2.gz LBARRRXIBLDPQS-RCCFBDPRSA-N 2 1 309.457 3.397 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC001349320953 1179893690 /nfs/dbraw/zinc/89/36/90/1179893690.db2.gz XQPVAQULRYNZSA-DZGCQCFKSA-N 2 1 322.522 3.001 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)ccc2O1 ZINC001352113140 1180297385 /nfs/dbraw/zinc/29/73/85/1180297385.db2.gz PYEKWSBYYBEGKI-TWKWOARYSA-N 2 1 314.473 3.172 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001352112391 1180297531 /nfs/dbraw/zinc/29/75/31/1180297531.db2.gz MUUMRJOUNUYFJE-KSZLIROESA-N 2 1 302.462 3.247 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1C ZINC001352112754 1180297801 /nfs/dbraw/zinc/29/78/01/1180297801.db2.gz OWABUBMAVJYHNS-OKZBNKHCSA-N 2 1 302.462 3.166 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001353583323 1180597025 /nfs/dbraw/zinc/59/70/25/1180597025.db2.gz FKTYLHWGLUIQAL-INIZCTEOSA-N 2 1 324.472 3.233 20 0 DGADMP Cc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1C ZINC001353604576 1180603349 /nfs/dbraw/zinc/60/33/49/1180603349.db2.gz LJRYHCJZZWOIQV-UHFFFAOYSA-N 2 1 302.462 3.036 20 0 DGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(Cl)c1 ZINC001200732928 1180860728 /nfs/dbraw/zinc/86/07/28/1180860728.db2.gz DUOOBLWFUIUODE-ZDUSSCGKSA-N 2 1 319.836 3.358 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001200822549 1180939495 /nfs/dbraw/zinc/93/94/95/1180939495.db2.gz ULCZVKOSZPTZDX-MSOLQXFVSA-N 2 1 302.462 3.438 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[nH+]c4ccsc43)C[C@@H]2C1 ZINC001355363734 1181044494 /nfs/dbraw/zinc/04/44/94/1181044494.db2.gz QTJWQNJFDYMHAR-MELADBBJSA-N 2 1 301.459 3.463 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[nH+]c4ccsc43)C[C@H]2C1 ZINC001355363728 1181044880 /nfs/dbraw/zinc/04/48/80/1181044880.db2.gz QTJWQNJFDYMHAR-BFHYXJOUSA-N 2 1 301.459 3.463 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCCCC1 ZINC001437422168 1181933940 /nfs/dbraw/zinc/93/39/40/1181933940.db2.gz YICSAFSEVRQPNB-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001437422168 1181933943 /nfs/dbraw/zinc/93/39/43/1181933943.db2.gz YICSAFSEVRQPNB-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001437422168 1181933948 /nfs/dbraw/zinc/93/39/48/1181933948.db2.gz YICSAFSEVRQPNB-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC001459798901 1182617597 /nfs/dbraw/zinc/61/75/97/1182617597.db2.gz WVTMRDXCRYMEMY-OALUTQOASA-N 2 1 306.494 3.238 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827616 1182620720 /nfs/dbraw/zinc/62/07/20/1182620720.db2.gz WZAJTBLEZYDETO-PMACEKPBSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827616 1182620724 /nfs/dbraw/zinc/62/07/24/1182620724.db2.gz WZAJTBLEZYDETO-PMACEKPBSA-N 2 1 318.505 3.428 20 0 DGADMP Fc1cccc(CCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001460305920 1182676342 /nfs/dbraw/zinc/67/63/42/1182676342.db2.gz RZKHNJMFTNBPKA-UHFFFAOYSA-N 2 1 313.420 3.366 20 0 DGADMP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460688078 1182707475 /nfs/dbraw/zinc/70/74/75/1182707475.db2.gz FBNXZFKIJQYMKF-AZUAARDMSA-N 2 1 318.505 3.349 20 0 DGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001460777303 1182721183 /nfs/dbraw/zinc/72/11/83/1182721183.db2.gz ZHHFRJBOTWWEFZ-YVSFHVDLSA-N 2 1 306.400 3.204 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001461052143 1182762008 /nfs/dbraw/zinc/76/20/08/1182762008.db2.gz OSDVPVLWYKURJK-MRXNPFEDSA-N 2 1 314.477 3.244 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001461142141 1182773045 /nfs/dbraw/zinc/77/30/45/1182773045.db2.gz BFSLHYFOGUMLRL-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H](C)[NH+](C)CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142141 1182773049 /nfs/dbraw/zinc/77/30/49/1182773049.db2.gz BFSLHYFOGUMLRL-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H](C)[NH+](C)CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142141 1182773053 /nfs/dbraw/zinc/77/30/53/1182773053.db2.gz BFSLHYFOGUMLRL-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP COc1ccc([C@H](C)CC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001461200584 1182781002 /nfs/dbraw/zinc/78/10/02/1182781002.db2.gz BKLNLJGTVGLLEA-OAHLLOKOSA-N 2 1 313.445 3.440 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC001461261905 1182788095 /nfs/dbraw/zinc/78/80/95/1182788095.db2.gz YIOWCAGXCDTHHB-QZTJIDSGSA-N 2 1 306.494 3.332 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC001461261905 1182788100 /nfs/dbraw/zinc/78/81/00/1182788100.db2.gz YIOWCAGXCDTHHB-QZTJIDSGSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001461429240 1182813090 /nfs/dbraw/zinc/81/30/90/1182813090.db2.gz DJUVOSZZIRHBDI-HLIPFELVSA-N 2 1 316.489 3.169 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC001461586203 1182831434 /nfs/dbraw/zinc/83/14/34/1182831434.db2.gz QHFTWNPHXRZMLF-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC001461586203 1182831440 /nfs/dbraw/zinc/83/14/40/1182831440.db2.gz QHFTWNPHXRZMLF-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1Cc2cc(CNC[C@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679797 1182842255 /nfs/dbraw/zinc/84/22/55/1182842255.db2.gz IQDIEZXVYXUQES-KBXCAEBGSA-N 2 1 300.446 3.117 20 0 DGADMP C[C@H]1Cc2cc(CNC[C@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679797 1182842262 /nfs/dbraw/zinc/84/22/62/1182842262.db2.gz IQDIEZXVYXUQES-KBXCAEBGSA-N 2 1 300.446 3.117 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cscc3C(F)(F)F)[C@@H]2C1 ZINC001461829622 1182865864 /nfs/dbraw/zinc/86/58/64/1182865864.db2.gz MPKFFLMYTXAUGJ-UFGOTCBOSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cscc3C(F)(F)F)[C@@H]2C1 ZINC001461829622 1182865875 /nfs/dbraw/zinc/86/58/75/1182865875.db2.gz MPKFFLMYTXAUGJ-UFGOTCBOSA-N 2 1 304.381 3.197 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCC2 ZINC001462045035 1182900756 /nfs/dbraw/zinc/90/07/56/1182900756.db2.gz LWKOSIKLWDPVKI-QGZVFWFLSA-N 2 1 304.482 3.304 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001462199176 1182921822 /nfs/dbraw/zinc/92/18/22/1182921822.db2.gz IDDBBLSFVTVLGF-QGZVFWFLSA-N 2 1 301.478 3.200 20 0 DGADMP COc1ccc(SCC[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC001462200388 1182921882 /nfs/dbraw/zinc/92/18/82/1182921882.db2.gz IFCHIHGEXPKOPC-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC001462200388 1182921888 /nfs/dbraw/zinc/92/18/88/1182921888.db2.gz IFCHIHGEXPKOPC-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC001462200388 1182921890 /nfs/dbraw/zinc/92/18/90/1182921890.db2.gz IFCHIHGEXPKOPC-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(O)cc(Cl)c3)C2)CC1 ZINC001462202109 1182923252 /nfs/dbraw/zinc/92/32/52/1182923252.db2.gz QRDRTNSASXBPJL-OAHLLOKOSA-N 2 1 308.853 3.209 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C12CCCCC2 ZINC001462443349 1182954323 /nfs/dbraw/zinc/95/43/23/1182954323.db2.gz XLAUJOCOCLUYCC-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](CCC)C(=O)OCC)CC1 ZINC001473111345 1183717265 /nfs/dbraw/zinc/71/72/65/1183717265.db2.gz SBKVJJSFSVPIAL-KRWDZBQOSA-N 2 1 312.498 3.162 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC001473692269 1183790240 /nfs/dbraw/zinc/79/02/40/1183790240.db2.gz ZPOQHZLWGBWBIW-ILZDJORESA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC001473692269 1183790244 /nfs/dbraw/zinc/79/02/44/1183790244.db2.gz ZPOQHZLWGBWBIW-ILZDJORESA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC001473692269 1183790249 /nfs/dbraw/zinc/79/02/49/1183790249.db2.gz ZPOQHZLWGBWBIW-ILZDJORESA-N 2 1 316.489 3.495 20 0 DGADMP COCC[N@@H+](CCc1ccccc1Cl)CC1CC[NH+](C)CC1 ZINC001473702900 1183791340 /nfs/dbraw/zinc/79/13/40/1183791340.db2.gz SLHKLTAGTPPASJ-UHFFFAOYSA-N 2 1 324.896 3.173 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@H](c2ccccc2)C1(C)C ZINC001473745436 1183796817 /nfs/dbraw/zinc/79/68/17/1183796817.db2.gz NIVDFPLYGBGRAE-NZSAHSFTSA-N 2 1 318.505 3.344 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@H](c2ccccc2)C1(C)C ZINC001473745436 1183796818 /nfs/dbraw/zinc/79/68/18/1183796818.db2.gz NIVDFPLYGBGRAE-NZSAHSFTSA-N 2 1 318.505 3.344 20 0 DGADMP COc1cc(F)cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001473935494 1183832780 /nfs/dbraw/zinc/83/27/80/1183832780.db2.gz GZODXOQXVZRNOS-GJZGRUSLSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC001473935736 1183832811 /nfs/dbraw/zinc/83/28/11/1183832811.db2.gz NPGKRSWFMBLZRZ-GASCZTMLSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC001473935736 1183832814 /nfs/dbraw/zinc/83/28/14/1183832814.db2.gz NPGKRSWFMBLZRZ-GASCZTMLSA-N 2 1 308.441 3.292 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC001473966278 1183840218 /nfs/dbraw/zinc/84/02/18/1183840218.db2.gz HHFHJGPRUSQLDS-UHFFFAOYSA-N 2 1 315.751 3.236 20 0 DGADMP CCOc1cc(C[NH2+]CCCCn2cc[nH+]c2C)ccc1OC ZINC001474021245 1183852988 /nfs/dbraw/zinc/85/29/88/1183852988.db2.gz XCFLBVPWAOMOBH-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001474029490 1183854423 /nfs/dbraw/zinc/85/44/23/1183854423.db2.gz VMZQTOZOJMEWTM-CVEARBPZSA-N 2 1 317.408 3.042 20 0 DGADMP CCc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)s1 ZINC001474041117 1183856519 /nfs/dbraw/zinc/85/65/19/1183856519.db2.gz LFEFOHLIABNAMQ-UHFFFAOYSA-N 2 1 310.507 3.290 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001474174487 1183877409 /nfs/dbraw/zinc/87/74/09/1183877409.db2.gz RDVUOQIPNAIPDA-FUHWJXTLSA-N 2 1 316.489 3.264 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317501 1183903257 /nfs/dbraw/zinc/90/32/57/1183903257.db2.gz HQSSSZDARQDVJP-DOMZBBRYSA-N 2 1 320.506 3.175 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC001474348009 1183907576 /nfs/dbraw/zinc/90/75/76/1183907576.db2.gz AZMSLKWVPPMXBU-QRVBRYPASA-N 2 1 308.510 3.412 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001474488124 1183929703 /nfs/dbraw/zinc/92/97/03/1183929703.db2.gz YXASTLRXYPHFKX-AZUAARDMSA-N 2 1 316.489 3.303 20 0 DGADMP CCN(CCC[NH+]1CCCC1)Cc1[nH+]cc(C)c(OC)c1C ZINC001474501123 1183931697 /nfs/dbraw/zinc/93/16/97/1183931697.db2.gz QLACPMUMOFIPOI-UHFFFAOYSA-N 2 1 305.466 3.015 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001474553813 1183939728 /nfs/dbraw/zinc/93/97/28/1183939728.db2.gz XVURGEOUZLIMLB-NTDBWNAOSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001474553813 1183939731 /nfs/dbraw/zinc/93/97/31/1183939731.db2.gz XVURGEOUZLIMLB-NTDBWNAOSA-N 2 1 324.509 3.208 20 0 DGADMP CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC001474646224 1183954480 /nfs/dbraw/zinc/95/44/80/1183954480.db2.gz DDITYANJSRUXNT-FUHWJXTLSA-N 2 1 318.509 3.090 20 0 DGADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC001474646224 1183954482 /nfs/dbraw/zinc/95/44/82/1183954482.db2.gz DDITYANJSRUXNT-FUHWJXTLSA-N 2 1 318.509 3.090 20 0 DGADMP CCO[C@@H](C[NH2+]C1CCC(C)(c2ccccc2)CC1)C[NH+](C)C ZINC001474703073 1183964196 /nfs/dbraw/zinc/96/41/96/1183964196.db2.gz SXVRZTMDBXXVIF-GPJFCIFZSA-N 2 1 318.505 3.443 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(OC4CCCC4)CC3)[C@H]2C1 ZINC001474756326 1183973436 /nfs/dbraw/zinc/97/34/36/1183973436.db2.gz CLIDDNVYLUPPDZ-LOFOKZFOSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001474757459 1183973594 /nfs/dbraw/zinc/97/35/94/1183973594.db2.gz WHZQKEFYBIFULN-RKHKHNFPSA-N 2 1 310.844 3.340 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCOC4CC4)C3)C2)cc1 ZINC001615744978 1193527568 /nfs/dbraw/zinc/52/75/68/1193527568.db2.gz ZXTXOROAOKKRGR-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCOC4CC4)C3)C2)cc1 ZINC001615744978 1193527571 /nfs/dbraw/zinc/52/75/71/1193527571.db2.gz ZXTXOROAOKKRGR-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCOC4CC4)C3)C2)cc1 ZINC001615744978 1193527573 /nfs/dbraw/zinc/52/75/73/1193527573.db2.gz ZXTXOROAOKKRGR-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP Fc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OC(F)F ZINC001656669701 1196060045 /nfs/dbraw/zinc/06/00/45/1196060045.db2.gz SDPINVRIQBPTCW-UHFFFAOYSA-N 2 1 302.340 3.003 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545231208 1188425961 /nfs/dbraw/zinc/42/59/61/1188425961.db2.gz CFMDLAIHVQTWPF-KRWDZBQOSA-N 2 1 317.477 3.116 20 0 DGADMP CO[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001548928481 1188481370 /nfs/dbraw/zinc/48/13/70/1188481370.db2.gz JXACFBSHKYFPCK-AYWYSENESA-N 2 1 322.452 3.382 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC001549088280 1188493367 /nfs/dbraw/zinc/49/33/67/1188493367.db2.gz JQMANNLXWPHSMO-RDTXWAMCSA-N 2 1 315.848 3.449 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC001549087734 1188493812 /nfs/dbraw/zinc/49/38/12/1188493812.db2.gz YFWVDURQFKWLRN-UXHICEINSA-N 2 1 307.441 3.309 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)o2)cc1 ZINC001549118079 1188496558 /nfs/dbraw/zinc/49/65/58/1188496558.db2.gz VGKJNXDYFUPSCD-VQIMIIECSA-N 2 1 311.429 3.211 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)o2)cc1 ZINC001549118079 1188496562 /nfs/dbraw/zinc/49/65/62/1188496562.db2.gz VGKJNXDYFUPSCD-VQIMIIECSA-N 2 1 311.429 3.211 20 0 DGADMP c1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC001549182556 1188500433 /nfs/dbraw/zinc/50/04/33/1188500433.db2.gz XNCIBIDVMLQONZ-CMKODMSKSA-N 2 1 322.452 3.288 20 0 DGADMP CCOC1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001549189150 1188502631 /nfs/dbraw/zinc/50/26/31/1188502631.db2.gz VLJHVJILIHFKNP-YNIZLOQISA-N 2 1 316.489 3.269 20 0 DGADMP O[C@@H]1CC[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]12 ZINC001549607541 1188529286 /nfs/dbraw/zinc/52/92/86/1188529286.db2.gz ZDPMTNRFLIBDSW-VAMGGRTRSA-N 2 1 314.473 3.018 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@@H]2CCCc3ncccc32)[C@@H](c2ccccc2)C1 ZINC001549774527 1188540533 /nfs/dbraw/zinc/54/05/33/1188540533.db2.gz FNKKGCOIGOGTBX-FBBABVLZSA-N 2 1 321.468 3.394 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC001617401389 1193567965 /nfs/dbraw/zinc/56/79/65/1193567965.db2.gz NEQDAKLTSTXIND-HNBVOPMISA-N 2 1 316.489 3.302 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC001550174848 1188590203 /nfs/dbraw/zinc/59/02/03/1188590203.db2.gz IBSJUCVDUOFLIF-CRAIPNDOSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC001550174848 1188590207 /nfs/dbraw/zinc/59/02/07/1188590207.db2.gz IBSJUCVDUOFLIF-CRAIPNDOSA-N 2 1 313.470 3.371 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3csc(C)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423858 1188615052 /nfs/dbraw/zinc/61/50/52/1188615052.db2.gz SVDAZZSMIGQSSY-XDNAFOTISA-N 2 1 322.518 3.016 20 0 DGADMP Cc1ccc(-c2cc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@H]4C3)on2)cc1 ZINC001550541092 1188622676 /nfs/dbraw/zinc/62/26/76/1188622676.db2.gz QIMXEHLYVXGYJS-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)on2)cc1 ZINC001550541092 1188622678 /nfs/dbraw/zinc/62/26/78/1188622678.db2.gz QIMXEHLYVXGYJS-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)on2)cc1 ZINC001550541092 1188622680 /nfs/dbraw/zinc/62/26/80/1188622680.db2.gz QIMXEHLYVXGYJS-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC001550699741 1188642784 /nfs/dbraw/zinc/64/27/84/1188642784.db2.gz DYRMAMQGZVLLGW-FHWLQOOXSA-N 2 1 314.473 3.023 20 0 DGADMP CC[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC001550702621 1188643301 /nfs/dbraw/zinc/64/33/01/1188643301.db2.gz NYDJVOCWPWECKO-GJZGRUSLSA-N 2 1 316.367 3.206 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC001551009699 1188682267 /nfs/dbraw/zinc/68/22/67/1188682267.db2.gz XHUNKCSBWHBLDZ-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC001551009699 1188682269 /nfs/dbraw/zinc/68/22/69/1188682269.db2.gz XHUNKCSBWHBLDZ-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC001551009699 1188682270 /nfs/dbraw/zinc/68/22/70/1188682270.db2.gz XHUNKCSBWHBLDZ-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4cccnc4c3)C[C@H]2C1 ZINC001551286113 1188725270 /nfs/dbraw/zinc/72/52/70/1188725270.db2.gz ZSZFYXCKZJRXRV-IPMKNSEASA-N 2 1 309.457 3.397 20 0 DGADMP O[C@]1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC2CCC1CC2 ZINC001551377049 1188732407 /nfs/dbraw/zinc/73/24/07/1188732407.db2.gz BDJVTXNMHVJUPY-YFPRJPQZSA-N 2 1 314.473 3.011 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001552210590 1188825176 /nfs/dbraw/zinc/82/51/76/1188825176.db2.gz BFXAOGOWLBPIET-VXNCWWDNSA-N 2 1 308.510 3.434 20 0 DGADMP CO[C@H]1C[C@H](CF)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317290 1188835725 /nfs/dbraw/zinc/83/57/25/1188835725.db2.gz LMBKMHGFVBVSTI-MOPGFXCFSA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@H]1C[C@H](CF)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317290 1188835729 /nfs/dbraw/zinc/83/57/29/1188835729.db2.gz LMBKMHGFVBVSTI-MOPGFXCFSA-N 2 1 320.452 3.231 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC001553021933 1188890659 /nfs/dbraw/zinc/89/06/59/1188890659.db2.gz RZWXAUIISMQRQS-CFVMTHIKSA-N 2 1 310.388 3.154 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001657056914 1196098452 /nfs/dbraw/zinc/09/84/52/1196098452.db2.gz MBYGMDQQZCGKCI-GVDBMIGSSA-N 2 1 312.498 3.208 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001657056914 1196098456 /nfs/dbraw/zinc/09/84/56/1196098456.db2.gz MBYGMDQQZCGKCI-GVDBMIGSSA-N 2 1 312.498 3.208 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCC[C@@H](C)[NH+]3CCCCC3)c12 ZINC001559163303 1189176702 /nfs/dbraw/zinc/17/67/02/1189176702.db2.gz PYEPCIOLUPOPSU-CYBMUJFWSA-N 2 1 301.438 3.148 20 0 DGADMP C[N@@H+](CCCCO)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559754090 1189239642 /nfs/dbraw/zinc/23/96/42/1189239642.db2.gz DMZGSWSZDNRHIZ-UHFFFAOYSA-N 2 1 318.505 3.036 20 0 DGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001559945665 1189260633 /nfs/dbraw/zinc/26/06/33/1189260633.db2.gz AMQNMXMPQQGKDE-OXJNMPFZSA-N 2 1 312.457 3.289 20 0 DGADMP Cc1cccnc1C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069023 1189274499 /nfs/dbraw/zinc/27/44/99/1189274499.db2.gz KKGSWYRBPRPHRQ-GOSISDBHSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069023 1189274504 /nfs/dbraw/zinc/27/45/04/1189274504.db2.gz KKGSWYRBPRPHRQ-GOSISDBHSA-N 2 1 301.478 3.476 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H]2CCCC[C@@H]2O)CC1 ZINC001560068351 1189275264 /nfs/dbraw/zinc/27/52/64/1189275264.db2.gz BQJYZESZMIZFLS-QYZOEREBSA-N 2 1 308.510 3.124 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069297 1189275619 /nfs/dbraw/zinc/27/56/19/1189275619.db2.gz PKFTWJDOXNNQMP-SFHVURJKSA-N 2 1 324.509 3.306 20 0 DGADMP CC(C)[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC001560260892 1189301368 /nfs/dbraw/zinc/30/13/68/1189301368.db2.gz ZXNQMBBJFRLVLA-WMZOPIPTSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCOCC1 ZINC001560265877 1189302280 /nfs/dbraw/zinc/30/22/80/1189302280.db2.gz IGWXRPMQFGRKPD-INIZCTEOSA-N 2 1 302.462 3.330 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324612 1189311649 /nfs/dbraw/zinc/31/16/49/1189311649.db2.gz XHXIVTIBMLZDRU-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324612 1189311654 /nfs/dbraw/zinc/31/16/54/1189311654.db2.gz XHXIVTIBMLZDRU-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324613 1189312347 /nfs/dbraw/zinc/31/23/47/1189312347.db2.gz XHXIVTIBMLZDRU-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324613 1189312352 /nfs/dbraw/zinc/31/23/52/1189312352.db2.gz XHXIVTIBMLZDRU-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP COCCOc1cccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001560436347 1189328542 /nfs/dbraw/zinc/32/85/42/1189328542.db2.gz BXGZFHQDDSKALK-QGZVFWFLSA-N 2 1 320.477 3.066 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001560433965 1189328657 /nfs/dbraw/zinc/32/86/57/1189328657.db2.gz FOKQRKVNTMPXGV-UHFFFAOYSA-N 2 1 307.457 3.103 20 0 DGADMP CCCn1cncc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC001560446287 1189329063 /nfs/dbraw/zinc/32/90/63/1189329063.db2.gz GEUJRTIAGJSAAH-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP Cc1ccc2[nH]cc(CC[NH2+]Cc3c[nH+]ccc3N(C)C)c2c1 ZINC001560617177 1189349142 /nfs/dbraw/zinc/34/91/42/1189349142.db2.gz LFSFKUNTESCRNO-UHFFFAOYSA-N 2 1 308.429 3.270 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(SC(F)F)cc3)[C@@H]2C1 ZINC001560623213 1189350279 /nfs/dbraw/zinc/35/02/79/1189350279.db2.gz RLCRASMCDGWXKB-CFVMTHIKSA-N 2 1 312.429 3.431 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638120 1189354332 /nfs/dbraw/zinc/35/43/32/1189354332.db2.gz ANMNDQLYKJYSQA-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638120 1189354336 /nfs/dbraw/zinc/35/43/36/1189354336.db2.gz ANMNDQLYKJYSQA-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638120 1189354340 /nfs/dbraw/zinc/35/43/40/1189354340.db2.gz ANMNDQLYKJYSQA-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638120 1189354343 /nfs/dbraw/zinc/35/43/43/1189354343.db2.gz ANMNDQLYKJYSQA-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001560690567 1189360955 /nfs/dbraw/zinc/36/09/55/1189360955.db2.gz YEUSGVXHDJBRIN-MRXNPFEDSA-N 2 1 317.477 3.264 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC001560801973 1189382973 /nfs/dbraw/zinc/38/29/73/1189382973.db2.gz GISIUJPIGWHLMX-MRXNPFEDSA-N 2 1 319.468 3.068 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCN(C)C)Cc2cccc(C)c2)CC1 ZINC001560810496 1189384224 /nfs/dbraw/zinc/38/42/24/1189384224.db2.gz BQXUSTNCEBDBGO-UHFFFAOYSA-N 2 1 317.521 3.091 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](C)CCc1ccc(Cl)s1)C[NH+](C)C ZINC001561002854 1189418572 /nfs/dbraw/zinc/41/85/72/1189418572.db2.gz ZLIIMLCNKPFMSF-QWHCGFSZSA-N 2 1 318.914 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001561048889 1189426841 /nfs/dbraw/zinc/42/68/41/1189426841.db2.gz HLHDNSYTEANSLB-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001569518293 1190712291 /nfs/dbraw/zinc/71/22/91/1190712291.db2.gz DRWYHBDFZJNTRI-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001569520860 1190712681 /nfs/dbraw/zinc/71/26/81/1190712681.db2.gz CLSPGYSPOJWKGG-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@H+](C)CC(C)C)c(C)n1 ZINC001570536517 1190878764 /nfs/dbraw/zinc/87/87/64/1190878764.db2.gz PUUVOBIPFNHPTN-KRWDZBQOSA-N 2 1 317.477 3.199 20 0 DGADMP CC[N@H+]1CCC[C@H](CNCc2csc(Br)c2)C1 ZINC001620753973 1191433375 /nfs/dbraw/zinc/43/33/75/1191433375.db2.gz VHKQMQVUCMZMAG-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC001620753973 1191433376 /nfs/dbraw/zinc/43/33/76/1191433376.db2.gz VHKQMQVUCMZMAG-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC001620753973 1191433377 /nfs/dbraw/zinc/43/33/77/1191433377.db2.gz VHKQMQVUCMZMAG-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001574799167 1191452653 /nfs/dbraw/zinc/45/26/53/1191452653.db2.gz CYVJQDDMYHLYPK-LFGUQSLTSA-N 3 1 319.537 3.294 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001574799167 1191452657 /nfs/dbraw/zinc/45/26/57/1191452657.db2.gz CYVJQDDMYHLYPK-LFGUQSLTSA-N 3 1 319.537 3.294 20 0 DGADMP C(c1nc2c(s1)C[NH2+]CC2)[N@H+](CC1CCCCC1)C1CC1 ZINC001574795378 1191452952 /nfs/dbraw/zinc/45/29/52/1191452952.db2.gz MRBBYFDDPMBUNC-UHFFFAOYSA-N 2 1 305.491 3.334 20 0 DGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC001575247531 1191469668 /nfs/dbraw/zinc/46/96/68/1191469668.db2.gz OUKOFUOHXQDRLK-HNNXBMFYSA-N 2 1 306.450 3.105 20 0 DGADMP CC(C)[C@H](C[N@H+]1CCOC2(CCC([NH3+])CC2)C1)c1ccccc1 ZINC001575428594 1191482406 /nfs/dbraw/zinc/48/24/06/1191482406.db2.gz HHUTVZHVMPUFQT-GPJFCIFZSA-N 2 1 316.489 3.399 20 0 DGADMP CC(C)C1(c2ccccc2)C[NH+](Cc2cc(C(C)(C)[NH3+])no2)C1 ZINC001575497213 1191486006 /nfs/dbraw/zinc/48/60/06/1191486006.db2.gz VBXWJTWCERDJNG-UHFFFAOYSA-N 2 1 313.445 3.278 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001575943627 1191518063 /nfs/dbraw/zinc/51/80/63/1191518063.db2.gz ZFUSYWVRSYMQMA-FFGOWVMKSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H](CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OCc1ccccc1 ZINC001575962683 1191519967 /nfs/dbraw/zinc/51/99/67/1191519967.db2.gz VRSGXZDTCAUJOQ-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC001575974557 1191520497 /nfs/dbraw/zinc/52/04/97/1191520497.db2.gz BWJVODDWHCJPPJ-SJLPKXTDSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CCN1c1cc[nH+]cc1 ZINC001620542574 1193778285 /nfs/dbraw/zinc/77/82/85/1193778285.db2.gz DIJHZKQSBFQWRJ-HZPDHXFCSA-N 2 1 317.477 3.186 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCOC1CCC1)C2 ZINC001620562559 1193778727 /nfs/dbraw/zinc/77/87/27/1193778727.db2.gz NBQVCKZBDPVLGP-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCOC1CCC1)C2 ZINC001620562559 1193778731 /nfs/dbraw/zinc/77/87/31/1193778731.db2.gz NBQVCKZBDPVLGP-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CCOC3CCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001620562559 1193778734 /nfs/dbraw/zinc/77/87/34/1193778734.db2.gz NBQVCKZBDPVLGP-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CCOC3CCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001620562559 1193778735 /nfs/dbraw/zinc/77/87/35/1193778735.db2.gz NBQVCKZBDPVLGP-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC(C)C)nc2)[C@H](C)C1 ZINC001621122969 1193805503 /nfs/dbraw/zinc/80/55/03/1193805503.db2.gz NJXSDTRNOWAURP-APWZRJJASA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@H](C)C1 ZINC001621122969 1193805505 /nfs/dbraw/zinc/80/55/05/1193805505.db2.gz NJXSDTRNOWAURP-APWZRJJASA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@H](C)C1 ZINC001621122969 1193805507 /nfs/dbraw/zinc/80/55/07/1193805507.db2.gz NJXSDTRNOWAURP-APWZRJJASA-N 2 1 303.494 3.442 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)ccc1F ZINC001621457575 1193845549 /nfs/dbraw/zinc/84/55/49/1193845549.db2.gz IDAMCROHTSVZQI-PBHICJAKSA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)ccc1F ZINC001621457575 1193845551 /nfs/dbraw/zinc/84/55/51/1193845551.db2.gz IDAMCROHTSVZQI-PBHICJAKSA-N 2 1 308.441 3.387 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1C ZINC001621457994 1193845629 /nfs/dbraw/zinc/84/56/29/1193845629.db2.gz TVGVANBIOVWLBF-YJBOKZPZSA-N 2 1 319.493 3.259 20 0 DGADMP Brc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000035054313 1193915932 /nfs/dbraw/zinc/91/59/32/1193915932.db2.gz RTWXMDTUHAUGJL-UHFFFAOYSA-N 2 1 309.251 3.166 20 0 DGADMP C[NH+]1CCC([NH2+]C(C)(C)c2ccc(Br)cc2)CC1 ZINC000037898820 1193973504 /nfs/dbraw/zinc/97/35/04/1193973504.db2.gz LTUUJUMYHGWRPT-UHFFFAOYSA-N 2 1 311.267 3.368 20 0 DGADMP COc1nscc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001641501662 1194857593 /nfs/dbraw/zinc/85/75/93/1194857593.db2.gz QGQJMMYSFPVNHR-UHFFFAOYSA-N 2 1 323.506 3.240 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001642323333 1194901518 /nfs/dbraw/zinc/90/15/18/1194901518.db2.gz ITKRIXVNKYBIHO-UXHICEINSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001642323333 1194901520 /nfs/dbraw/zinc/90/15/20/1194901520.db2.gz ITKRIXVNKYBIHO-UXHICEINSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001642323333 1194901522 /nfs/dbraw/zinc/90/15/22/1194901522.db2.gz ITKRIXVNKYBIHO-UXHICEINSA-N 2 1 318.505 3.034 20 0 DGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC001642693053 1194929968 /nfs/dbraw/zinc/92/99/68/1194929968.db2.gz WPPFTKSPQIUTKX-INIZCTEOSA-N 2 1 312.498 3.162 20 0 DGADMP CC[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC001643064815 1194964701 /nfs/dbraw/zinc/96/47/01/1194964701.db2.gz UQEDXJFFOWXYJR-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC001643064815 1194964702 /nfs/dbraw/zinc/96/47/02/1194964702.db2.gz UQEDXJFFOWXYJR-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC001643064815 1194964704 /nfs/dbraw/zinc/96/47/04/1194964704.db2.gz UQEDXJFFOWXYJR-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP Cc1nc([C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)[nH]c1C ZINC001644479050 1195111150 /nfs/dbraw/zinc/11/11/50/1195111150.db2.gz CBWYONWOYJMJIV-MRXNPFEDSA-N 2 1 301.438 3.149 20 0 DGADMP Cc1nc([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)[nH]c1C ZINC001644479050 1195111153 /nfs/dbraw/zinc/11/11/53/1195111153.db2.gz CBWYONWOYJMJIV-MRXNPFEDSA-N 2 1 301.438 3.149 20 0 DGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000060526609 1195143518 /nfs/dbraw/zinc/14/35/18/1195143518.db2.gz YMFKFASXFAUPNH-UHFFFAOYSA-N 2 1 319.474 3.154 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001644970919 1195146428 /nfs/dbraw/zinc/14/64/28/1195146428.db2.gz NWZUXFWECUTEDB-DOTOQJQBSA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001644970919 1195146431 /nfs/dbraw/zinc/14/64/31/1195146431.db2.gz NWZUXFWECUTEDB-DOTOQJQBSA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001644970919 1195146432 /nfs/dbraw/zinc/14/64/32/1195146432.db2.gz NWZUXFWECUTEDB-DOTOQJQBSA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001644970921 1195146445 /nfs/dbraw/zinc/14/64/45/1195146445.db2.gz NWZUXFWECUTEDB-RDJZCZTQSA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001644970921 1195146447 /nfs/dbraw/zinc/14/64/47/1195146447.db2.gz NWZUXFWECUTEDB-RDJZCZTQSA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001644970921 1195146451 /nfs/dbraw/zinc/14/64/51/1195146451.db2.gz NWZUXFWECUTEDB-RDJZCZTQSA-N 2 1 319.518 3.333 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc(CO)cc2)CC1 ZINC001648027454 1195271186 /nfs/dbraw/zinc/27/11/86/1195271186.db2.gz SMCZVOFEWOYHIK-HXUWFJFHSA-N 2 1 316.489 3.265 20 0 DGADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1CCCCC1 ZINC001648366019 1195295253 /nfs/dbraw/zinc/29/52/53/1195295253.db2.gz BWGOFWIDJQRRIS-LPHOPBHVSA-N 2 1 317.477 3.187 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001648659245 1195318904 /nfs/dbraw/zinc/31/89/04/1195318904.db2.gz CLOHDUFFEDAIHS-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001648659245 1195318908 /nfs/dbraw/zinc/31/89/08/1195318908.db2.gz CLOHDUFFEDAIHS-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP COc1cccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001648659245 1195318911 /nfs/dbraw/zinc/31/89/11/1195318911.db2.gz CLOHDUFFEDAIHS-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP COc1cccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001648659245 1195318915 /nfs/dbraw/zinc/31/89/15/1195318915.db2.gz CLOHDUFFEDAIHS-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP CC[C@@H](CC(F)F)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001648662175 1195320337 /nfs/dbraw/zinc/32/03/37/1195320337.db2.gz WXLIKCADIANSED-BHYGNILZSA-N 2 1 300.437 3.476 20 0 DGADMP CC[C@@H](CC(F)F)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001648662175 1195320341 /nfs/dbraw/zinc/32/03/41/1195320341.db2.gz WXLIKCADIANSED-BHYGNILZSA-N 2 1 300.437 3.476 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001651205529 1195427095 /nfs/dbraw/zinc/42/70/95/1195427095.db2.gz UTMSXFFNBWOAJM-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001651205529 1195427099 /nfs/dbraw/zinc/42/70/99/1195427099.db2.gz UTMSXFFNBWOAJM-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC001651697624 1195498007 /nfs/dbraw/zinc/49/80/07/1195498007.db2.gz DSTWCYGMYGEIFN-RRQGHBQHSA-N 2 1 315.848 3.318 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000067222671 1195608380 /nfs/dbraw/zinc/60/83/80/1195608380.db2.gz QAQRTWCFYDAKNR-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000067222671 1195608388 /nfs/dbraw/zinc/60/83/88/1195608388.db2.gz QAQRTWCFYDAKNR-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1C[C@]1(C)Br ZINC001652512818 1195609698 /nfs/dbraw/zinc/60/96/98/1195609698.db2.gz MABOMTBGIXJKIZ-ILXRZTDVSA-N 2 1 317.315 3.260 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC001652526812 1195613256 /nfs/dbraw/zinc/61/32/56/1195613256.db2.gz OEXFZWIYPOPMJQ-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC001652526812 1195613254 /nfs/dbraw/zinc/61/32/54/1195613254.db2.gz OEXFZWIYPOPMJQ-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001652526902 1195613726 /nfs/dbraw/zinc/61/37/26/1195613726.db2.gz POWZJLOIVXDFGZ-MRXNPFEDSA-N 2 1 307.507 3.192 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001652645764 1195631015 /nfs/dbraw/zinc/63/10/15/1195631015.db2.gz CAPUHYDELSAHEF-IRXDYDNUSA-N 2 1 308.416 3.451 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001652645764 1195631021 /nfs/dbraw/zinc/63/10/21/1195631021.db2.gz CAPUHYDELSAHEF-IRXDYDNUSA-N 2 1 308.416 3.451 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882916 1195666748 /nfs/dbraw/zinc/66/67/48/1195666748.db2.gz ZICBTFXEJSUQHX-YOEHRIQHSA-N 2 1 316.449 3.222 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882916 1195666754 /nfs/dbraw/zinc/66/67/54/1195666754.db2.gz ZICBTFXEJSUQHX-YOEHRIQHSA-N 2 1 316.449 3.222 20 0 DGADMP CCO[C@H](C[NH2+]C1CCC(c2ccccc2)CC1)C[NH+](C)C ZINC001653085296 1195686934 /nfs/dbraw/zinc/68/69/34/1195686934.db2.gz RDNMSHIQKBMOLK-CTWPCTMYSA-N 2 1 304.478 3.269 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCOC)Cc2ccc(C)c(C)c2)CC1 ZINC001653114606 1195689160 /nfs/dbraw/zinc/68/91/60/1195689160.db2.gz SAUHSQRJZGQKSN-UHFFFAOYSA-N 2 1 318.505 3.484 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+][C@@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001653234409 1195701946 /nfs/dbraw/zinc/70/19/46/1195701946.db2.gz WRXNCBMLVUTVCK-YDZRNGNQSA-N 2 1 316.514 3.382 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653263483 1195704645 /nfs/dbraw/zinc/70/46/45/1195704645.db2.gz RULFXRAGBPKGDA-YZGWKJHDSA-N 2 1 323.484 3.480 20 0 DGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001653268795 1195706020 /nfs/dbraw/zinc/70/60/20/1195706020.db2.gz AVHCTYCJECKBIK-HUJKARHJSA-N 2 1 312.501 3.426 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC001654088404 1195774376 /nfs/dbraw/zinc/77/43/76/1195774376.db2.gz OVDDYUSLCVXUIR-KRWDZBQOSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC001654088404 1195774379 /nfs/dbraw/zinc/77/43/79/1195774379.db2.gz OVDDYUSLCVXUIR-KRWDZBQOSA-N 2 1 316.489 3.387 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001655130695 1195879761 /nfs/dbraw/zinc/87/97/61/1195879761.db2.gz LAHHQXJLWHKPKF-SJORKVTESA-N 3 1 318.509 3.302 20 0 DGADMP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001655130695 1195879764 /nfs/dbraw/zinc/87/97/64/1195879764.db2.gz LAHHQXJLWHKPKF-SJORKVTESA-N 3 1 318.509 3.302 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001655130695 1195879767 /nfs/dbraw/zinc/87/97/67/1195879767.db2.gz LAHHQXJLWHKPKF-SJORKVTESA-N 3 1 318.509 3.302 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)C1CCCCC1 ZINC001655144701 1195881985 /nfs/dbraw/zinc/88/19/85/1195881985.db2.gz CFVUCDLQLMXNNC-AQNXPRMDSA-N 2 1 320.521 3.390 20 0 DGADMP CO[C@H](C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3)C1CCCCC1 ZINC001655144701 1195881987 /nfs/dbraw/zinc/88/19/87/1195881987.db2.gz CFVUCDLQLMXNNC-AQNXPRMDSA-N 2 1 320.521 3.390 20 0 DGADMP CO[C@H](C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3)C1CCCCC1 ZINC001655144701 1195881991 /nfs/dbraw/zinc/88/19/91/1195881991.db2.gz CFVUCDLQLMXNNC-AQNXPRMDSA-N 2 1 320.521 3.390 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]cc1C(F)(F)F ZINC001655188096 1195888117 /nfs/dbraw/zinc/88/81/17/1195888117.db2.gz AYOHKLJCFVPZSS-GFCCVEGCSA-N 2 1 301.356 3.411 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001655344032 1195905716 /nfs/dbraw/zinc/90/57/16/1195905716.db2.gz OZMFHCOPRRNDIY-INIZCTEOSA-N 2 1 314.477 3.474 20 0 DGADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001655597128 1195937152 /nfs/dbraw/zinc/93/71/52/1195937152.db2.gz KNUSLFLVTATSMQ-SOHNTWGLSA-N 2 1 318.436 3.072 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC001655945526 1195981255 /nfs/dbraw/zinc/98/12/55/1195981255.db2.gz IBUXNDMVIAPNJK-UHFFFAOYSA-N 2 1 302.466 3.244 20 0 DGADMP c1csc(-c2ncc(CNC[C@H]3CC[N@H+](C4CC4)C3)s2)c1 ZINC001656028991 1195989517 /nfs/dbraw/zinc/98/95/17/1195989517.db2.gz AXJYRHLVROQQAB-GFCCVEGCSA-N 2 1 319.499 3.446 20 0 DGADMP c1csc(-c2ncc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)s2)c1 ZINC001656028991 1195989523 /nfs/dbraw/zinc/98/95/23/1195989523.db2.gz AXJYRHLVROQQAB-GFCCVEGCSA-N 2 1 319.499 3.446 20 0 DGADMP Cc1cccn2c(C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)cnc12 ZINC001656794988 1196071870 /nfs/dbraw/zinc/07/18/70/1196071870.db2.gz QCGFTFVPCKZBDB-KRWDZBQOSA-N 2 1 314.477 3.387 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4)[C@@H]3C2)cc1 ZINC001656994106 1196090385 /nfs/dbraw/zinc/09/03/85/1196090385.db2.gz HKFGCXXYTXTCDY-HBMCJLEFSA-N 2 1 321.468 3.472 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccncc4)[C@H]3C2)cc1 ZINC001656994105 1196090527 /nfs/dbraw/zinc/09/05/27/1196090527.db2.gz HKFGCXXYTXTCDY-ACRUOGEOSA-N 2 1 321.468 3.472 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001657057190 1196098522 /nfs/dbraw/zinc/09/85/22/1196098522.db2.gz ROTAYUXXOZBOLN-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001657057190 1196098526 /nfs/dbraw/zinc/09/85/26/1196098526.db2.gz ROTAYUXXOZBOLN-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082323 1196102706 /nfs/dbraw/zinc/10/27/06/1196102706.db2.gz RKIYQFXUUJPIRM-AEFFLSMTSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082323 1196102707 /nfs/dbraw/zinc/10/27/07/1196102707.db2.gz RKIYQFXUUJPIRM-AEFFLSMTSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC001657224679 1196120195 /nfs/dbraw/zinc/12/01/95/1196120195.db2.gz FSNGTJAFFVGASR-KRWDZBQOSA-N 2 1 322.493 3.212 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC001657502370 1196149479 /nfs/dbraw/zinc/14/94/79/1196149479.db2.gz BJHKLUGMFWSGJS-VQIMIIECSA-N 2 1 302.462 3.180 20 0 DGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](C)CC[NH+](CC)CC)c1C ZINC001658185871 1196222378 /nfs/dbraw/zinc/22/23/78/1196222378.db2.gz IOWKVPSNAJWWTR-CYBMUJFWSA-N 2 1 323.481 3.018 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001658210502 1196226526 /nfs/dbraw/zinc/22/65/26/1196226526.db2.gz YKCAZQDZIRLMBQ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001658210502 1196226528 /nfs/dbraw/zinc/22/65/28/1196226528.db2.gz YKCAZQDZIRLMBQ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001658210502 1196226534 /nfs/dbraw/zinc/22/65/34/1196226534.db2.gz YKCAZQDZIRLMBQ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccc(OC)cc2)C1 ZINC001658210502 1196226538 /nfs/dbraw/zinc/22/65/38/1196226538.db2.gz YKCAZQDZIRLMBQ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)[C@H]1Sc1ccccc1 ZINC001658642349 1196283691 /nfs/dbraw/zinc/28/36/91/1196283691.db2.gz UQEHAZGOEDCRMN-VDHUWJSZSA-N 2 1 322.518 3.255 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3N3CCCCC3)[C@H]2C1 ZINC001658777933 1196299446 /nfs/dbraw/zinc/29/94/46/1196299446.db2.gz MNIXVIKOFPBHLK-FHWLQOOXSA-N 2 1 313.489 3.107 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC4(COC(C)(C)C4)CC3)[C@H]2C1 ZINC001658778274 1196299604 /nfs/dbraw/zinc/29/96/04/1196299604.db2.gz VDEMYYDBVIRXLO-UEMOBTBKSA-N 2 1 306.494 3.044 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC001658868375 1196311793 /nfs/dbraw/zinc/31/17/93/1196311793.db2.gz ZDNOYVMYHMJDBE-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001658868375 1196311805 /nfs/dbraw/zinc/31/18/05/1196311805.db2.gz ZDNOYVMYHMJDBE-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001658868375 1196311810 /nfs/dbraw/zinc/31/18/10/1196311810.db2.gz ZDNOYVMYHMJDBE-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC001658932201 1196320837 /nfs/dbraw/zinc/32/08/37/1196320837.db2.gz XSIFTHOVAMOWGL-UHFFFAOYSA-N 2 1 312.461 3.144 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC001658932201 1196320846 /nfs/dbraw/zinc/32/08/46/1196320846.db2.gz XSIFTHOVAMOWGL-UHFFFAOYSA-N 2 1 312.461 3.144 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001658975573 1196327746 /nfs/dbraw/zinc/32/77/46/1196327746.db2.gz RRXFEAQBZGTQGL-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCSc2ccc(OC)cc2)C1 ZINC001658975573 1196327749 /nfs/dbraw/zinc/32/77/49/1196327749.db2.gz RRXFEAQBZGTQGL-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP Cc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001659035217 1196336199 /nfs/dbraw/zinc/33/61/99/1196336199.db2.gz LNHZSYURQLMUDL-SFHVURJKSA-N 2 1 322.880 3.381 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(Sc4ccccc4)C3)[C@@H]2C1 ZINC001659118484 1196347707 /nfs/dbraw/zinc/34/77/07/1196347707.db2.gz MAECCJZQBREYHJ-NQUDHPLDSA-N 2 1 302.487 3.240 20 0 DGADMP CC(C)Cc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC001659596201 1196398269 /nfs/dbraw/zinc/39/82/69/1196398269.db2.gz CIBOHSMPUXFWGZ-FQEVSTJZSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC001659596201 1196398272 /nfs/dbraw/zinc/39/82/72/1196398272.db2.gz CIBOHSMPUXFWGZ-FQEVSTJZSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCN(c2ccccc2)C1 ZINC001659699457 1196405982 /nfs/dbraw/zinc/40/59/82/1196405982.db2.gz CAMVJFZDEFTDRT-LJQANCHMSA-N 2 1 315.505 3.321 20 0 DGADMP Cc1cncc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785345 1196414342 /nfs/dbraw/zinc/41/43/42/1196414342.db2.gz LLAQSGVCHHWPKA-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cncc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785345 1196414343 /nfs/dbraw/zinc/41/43/43/1196414343.db2.gz LLAQSGVCHHWPKA-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP CC[C@H](C[N@@H+](CCOC)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001659804570 1196415895 /nfs/dbraw/zinc/41/58/95/1196415895.db2.gz JDQZBPKKHVTOSK-LJQANCHMSA-N 2 1 318.505 3.470 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950307 1196431663 /nfs/dbraw/zinc/43/16/63/1196431663.db2.gz CYACBECKBJOWTM-GOEBONIOSA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950307 1196431666 /nfs/dbraw/zinc/43/16/66/1196431666.db2.gz CYACBECKBJOWTM-GOEBONIOSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950307 1196431668 /nfs/dbraw/zinc/43/16/68/1196431668.db2.gz CYACBECKBJOWTM-GOEBONIOSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950307 1196431671 /nfs/dbraw/zinc/43/16/71/1196431671.db2.gz CYACBECKBJOWTM-GOEBONIOSA-N 2 1 324.896 3.221 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C2 ZINC001660011031 1196437522 /nfs/dbraw/zinc/43/75/22/1196437522.db2.gz IDWXWJAMPXNBKO-INIZCTEOSA-N 2 1 302.462 3.017 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C2 ZINC001660011031 1196437525 /nfs/dbraw/zinc/43/75/25/1196437525.db2.gz IDWXWJAMPXNBKO-INIZCTEOSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001660146419 1196450793 /nfs/dbraw/zinc/45/07/93/1196450793.db2.gz WJZAJJMHCRXFAT-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP FC(F)(F)Oc1cccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000076396903 1196477794 /nfs/dbraw/zinc/47/77/94/1196477794.db2.gz RJWKKWMLXYDZOK-LSDHHAIUSA-N 2 1 314.351 3.302 20 0 DGADMP CCOC(=O)CC(C)(C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001660575283 1196499258 /nfs/dbraw/zinc/49/92/58/1196499258.db2.gz QIYSANYMQHWAJJ-UHFFFAOYSA-N 2 1 312.498 3.164 20 0 DGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(F)c1 ZINC001660893090 1196540280 /nfs/dbraw/zinc/54/02/80/1196540280.db2.gz NQLXVXIFSZYDLZ-RRFJBIMHSA-N 2 1 308.416 3.435 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC001660945337 1196544513 /nfs/dbraw/zinc/54/45/13/1196544513.db2.gz NMXFDTSOARIOJN-GASCZTMLSA-N 2 1 319.493 3.165 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC001660945337 1196544515 /nfs/dbraw/zinc/54/45/15/1196544515.db2.gz NMXFDTSOARIOJN-GASCZTMLSA-N 2 1 319.493 3.165 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001660976638 1196549181 /nfs/dbraw/zinc/54/91/81/1196549181.db2.gz NUDUCQUBAMSNRP-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP Cc1ncsc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001661097157 1196565932 /nfs/dbraw/zinc/56/59/32/1196565932.db2.gz MZFFMQPXSNFXHH-UHFFFAOYSA-N 2 1 316.405 3.375 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1OC(C)C ZINC001661602064 1196623197 /nfs/dbraw/zinc/62/31/97/1196623197.db2.gz UWQWCTLMZPMAFT-DLBZAZTESA-N 2 1 320.477 3.445 20 0 DGADMP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001661950507 1196665567 /nfs/dbraw/zinc/66/55/67/1196665567.db2.gz SYCSBNRLLGLKEC-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001663533209 1196897647 /nfs/dbraw/zinc/89/76/47/1196897647.db2.gz WYSUZGHMHXPENS-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001663533209 1196897651 /nfs/dbraw/zinc/89/76/51/1196897651.db2.gz WYSUZGHMHXPENS-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001663533209 1196897655 /nfs/dbraw/zinc/89/76/55/1196897655.db2.gz WYSUZGHMHXPENS-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)CC1 ZINC001663623455 1196916576 /nfs/dbraw/zinc/91/65/76/1196916576.db2.gz LZDSTOQPQUQLRQ-HXUWFJFHSA-N 2 1 318.505 3.237 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC001664611206 1197021207 /nfs/dbraw/zinc/02/12/07/1197021207.db2.gz GMPOQJXWXFEEPS-MOPGFXCFSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001664878923 1197074356 /nfs/dbraw/zinc/07/43/56/1197074356.db2.gz IYFOKKCSHFIBMJ-HZPDHXFCSA-N 2 1 320.477 3.446 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001664878923 1197074359 /nfs/dbraw/zinc/07/43/59/1197074359.db2.gz IYFOKKCSHFIBMJ-HZPDHXFCSA-N 2 1 320.477 3.446 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC001664883453 1197074440 /nfs/dbraw/zinc/07/44/40/1197074440.db2.gz STRNWNIPGKLBKG-FQEVSTJZSA-N 2 1 314.473 3.188 20 0 DGADMP C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001665546991 1197149367 /nfs/dbraw/zinc/14/93/67/1197149367.db2.gz WKFCTEZVPJFVFB-OAHLLOKOSA-N 2 1 315.848 3.488 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000084660408 1197530470 /nfs/dbraw/zinc/53/04/70/1197530470.db2.gz SFOREGBABGPTLP-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000084660408 1197530471 /nfs/dbraw/zinc/53/04/71/1197530471.db2.gz SFOREGBABGPTLP-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@H]12 ZINC000323926700 1197691363 /nfs/dbraw/zinc/69/13/63/1197691363.db2.gz WPRIFAQCOSJBCC-HLAWJBBLSA-N 2 1 306.453 3.488 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OC ZINC000323740139 1197691506 /nfs/dbraw/zinc/69/15/06/1197691506.db2.gz BFXCNGGEOPWNDJ-OAHLLOKOSA-N 2 1 320.477 3.475 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)on2)cc1 ZINC000391842241 1197715432 /nfs/dbraw/zinc/71/54/32/1197715432.db2.gz YNDOJYLDURAJJD-APWZRJJASA-N 2 1 311.429 3.211 20 0 DGADMP CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001674155123 1197740112 /nfs/dbraw/zinc/74/01/12/1197740112.db2.gz OCHHTYBZHKIJRV-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001674954213 1197933082 /nfs/dbraw/zinc/93/30/82/1197933082.db2.gz SOWVTUHKSXQNRX-INIZCTEOSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674954213 1197933088 /nfs/dbraw/zinc/93/30/88/1197933088.db2.gz SOWVTUHKSXQNRX-INIZCTEOSA-N 2 1 323.525 3.042 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000093088968 1198652535 /nfs/dbraw/zinc/65/25/35/1198652535.db2.gz BCBXDHXZMBQCOF-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000105457377 1199542780 /nfs/dbraw/zinc/54/27/80/1199542780.db2.gz XICRBQHXVHEGTH-MRXNPFEDSA-N 2 1 312.461 3.287 20 0 DGADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC[C@@H]1O ZINC000304609962 1199669623 /nfs/dbraw/zinc/66/96/23/1199669623.db2.gz DUTJMFIPWAEHMG-VQTJNVASSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310287907 1199714927 /nfs/dbraw/zinc/71/49/27/1199714927.db2.gz MVXIIHFIPJQIOU-PZJWPPBQSA-N 2 1 324.468 3.006 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000421839315 1199772838 /nfs/dbraw/zinc/77/28/38/1199772838.db2.gz WRGWJVQPCBIFGC-RTBURBONSA-N 2 1 313.489 3.183 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000421839315 1199772843 /nfs/dbraw/zinc/77/28/43/1199772843.db2.gz WRGWJVQPCBIFGC-RTBURBONSA-N 2 1 313.489 3.183 20 0 DGADMP COc1cccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1OC ZINC000116379160 1199797383 /nfs/dbraw/zinc/79/73/83/1199797383.db2.gz UDGZIVCGKFHEET-MRXNPFEDSA-N 2 1 308.466 3.160 20 0 DGADMP COc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1 ZINC000116379549 1199797437 /nfs/dbraw/zinc/79/74/37/1199797437.db2.gz LRINUKVTDICELV-QGZVFWFLSA-N 2 1 308.466 3.160 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000317040034 1199821910 /nfs/dbraw/zinc/82/19/10/1199821910.db2.gz WCEQPVRODXKZKS-XDNAFOTISA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000317040034 1199821912 /nfs/dbraw/zinc/82/19/12/1199821912.db2.gz WCEQPVRODXKZKS-XDNAFOTISA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000317420113 1199824409 /nfs/dbraw/zinc/82/44/09/1199824409.db2.gz QCRQKEMYGQNWGU-FOIPXRHGSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000317420113 1199824413 /nfs/dbraw/zinc/82/44/13/1199824413.db2.gz QCRQKEMYGQNWGU-FOIPXRHGSA-N 2 1 308.510 3.292 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000319694595 1199840355 /nfs/dbraw/zinc/84/03/55/1199840355.db2.gz RZEHTCVDIHGIRM-KBXCAEBGSA-N 2 1 315.848 3.449 20 0 DGADMP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753993938 1200063495 /nfs/dbraw/zinc/06/34/95/1200063495.db2.gz ZBZHOPVMLKMAJZ-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000120774300 1200170305 /nfs/dbraw/zinc/17/03/05/1200170305.db2.gz SDKSRKXUVMBANX-MRXNPFEDSA-N 2 1 320.477 3.161 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000120774300 1200170307 /nfs/dbraw/zinc/17/03/07/1200170307.db2.gz SDKSRKXUVMBANX-MRXNPFEDSA-N 2 1 320.477 3.161 20 0 DGADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000120793709 1200171572 /nfs/dbraw/zinc/17/15/72/1200171572.db2.gz XRDCYISEQKZLPB-MRXNPFEDSA-N 2 1 320.477 3.161 20 0 DGADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000120793709 1200171577 /nfs/dbraw/zinc/17/15/77/1200171577.db2.gz XRDCYISEQKZLPB-MRXNPFEDSA-N 2 1 320.477 3.161 20 0 DGADMP COc1ccc2oc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000120864329 1200178948 /nfs/dbraw/zinc/17/89/48/1200178948.db2.gz VDOXLMMXQNSHQJ-UHFFFAOYSA-N 2 1 323.396 3.159 20 0 DGADMP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000120966489 1200186687 /nfs/dbraw/zinc/18/66/87/1200186687.db2.gz VQBLPPCQQVZEGO-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000121805997 1200238576 /nfs/dbraw/zinc/23/85/76/1200238576.db2.gz VRRHTSNMMNSKBD-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000121805997 1200238583 /nfs/dbraw/zinc/23/85/83/1200238583.db2.gz VRRHTSNMMNSKBD-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP CCSC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000132323743 1201171211 /nfs/dbraw/zinc/17/12/11/1201171211.db2.gz MKXMDQMGDWBVDG-MRXNPFEDSA-N 2 1 306.519 3.425 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000134279184 1201199013 /nfs/dbraw/zinc/19/90/13/1201199013.db2.gz YPKKFPJWELTERP-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000134279184 1201199016 /nfs/dbraw/zinc/19/90/16/1201199016.db2.gz YPKKFPJWELTERP-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP CCC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001752851547 1201976182 /nfs/dbraw/zinc/97/61/82/1201976182.db2.gz VAUFVAMZJWSJRP-UHFFFAOYSA-N 2 1 323.525 3.068 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000218616439 1202561949 /nfs/dbraw/zinc/56/19/49/1202561949.db2.gz IPLMLHJCJCRUSF-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000218616439 1202561950 /nfs/dbraw/zinc/56/19/50/1202561950.db2.gz IPLMLHJCJCRUSF-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000158171247 1202603343 /nfs/dbraw/zinc/60/33/43/1202603343.db2.gz OCKUCYVDJDPCHO-HNNXBMFYSA-N 2 1 321.896 3.240 20 0 DGADMP CC[C@@H](C)[C@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236868062 1202630722 /nfs/dbraw/zinc/63/07/22/1202630722.db2.gz MHKDAKHBGKSQPT-SJLPKXTDSA-N 2 1 306.494 3.141 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3C)cc2)CC1 ZINC000236963215 1202638608 /nfs/dbraw/zinc/63/86/08/1202638608.db2.gz LVTRIDSVEGGROM-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP C[NH+](C)C(C)(C)CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000237129684 1202649577 /nfs/dbraw/zinc/64/95/77/1202649577.db2.gz XTCPUKUPDKWMJS-UHFFFAOYSA-N 2 1 305.510 3.074 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001714109014 1202781745 /nfs/dbraw/zinc/78/17/45/1202781745.db2.gz UAQZQUXXEXLKLG-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001714109014 1202781747 /nfs/dbraw/zinc/78/17/47/1202781747.db2.gz UAQZQUXXEXLKLG-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001714109014 1202781750 /nfs/dbraw/zinc/78/17/50/1202781750.db2.gz UAQZQUXXEXLKLG-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001714109020 1202782582 /nfs/dbraw/zinc/78/25/82/1202782582.db2.gz UAQZQUXXEXLKLG-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001714109020 1202782585 /nfs/dbraw/zinc/78/25/85/1202782585.db2.gz UAQZQUXXEXLKLG-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001714109020 1202782588 /nfs/dbraw/zinc/78/25/88/1202782588.db2.gz UAQZQUXXEXLKLG-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714408190 1202917162 /nfs/dbraw/zinc/91/71/62/1202917162.db2.gz PKLALZULPUIGQT-IAGOWNOFSA-N 2 1 323.525 3.068 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001717237423 1203607638 /nfs/dbraw/zinc/60/76/38/1203607638.db2.gz JWDMATQXOKOLLT-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001725619843 1204181989 /nfs/dbraw/zinc/18/19/89/1204181989.db2.gz GAKCQVZABDFKHL-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001725619843 1204181991 /nfs/dbraw/zinc/18/19/91/1204181991.db2.gz GAKCQVZABDFKHL-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001725619843 1204181993 /nfs/dbraw/zinc/18/19/93/1204181993.db2.gz GAKCQVZABDFKHL-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001134772828 1083330029 /nfs/dbraw/zinc/33/00/29/1083330029.db2.gz IDUPZHHHNKWAGH-LSDHHAIUSA-N 2 1 313.530 3.026 20 0 DGADMP COCc1csc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001206800809 1081655347 /nfs/dbraw/zinc/65/53/47/1081655347.db2.gz OATWKOVSGAYENQ-RHSMWYFYSA-N 2 1 310.507 3.447 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209453355 1081756060 /nfs/dbraw/zinc/75/60/60/1081756060.db2.gz FOWITVJFJJRZAG-SFHVURJKSA-N 2 1 302.462 3.361 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc(Cl)s2)CC1 ZINC001209471347 1081762922 /nfs/dbraw/zinc/76/29/22/1081762922.db2.gz KCQVTZBMEHXPCZ-UHFFFAOYSA-N 2 1 301.887 3.349 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001648794832 1081778830 /nfs/dbraw/zinc/77/88/30/1081778830.db2.gz HLEIMQLXJXJMCY-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001648794832 1081778833 /nfs/dbraw/zinc/77/88/33/1081778833.db2.gz HLEIMQLXJXJMCY-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001648794832 1081778840 /nfs/dbraw/zinc/77/88/40/1081778840.db2.gz HLEIMQLXJXJMCY-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001648794832 1081778843 /nfs/dbraw/zinc/77/88/43/1081778843.db2.gz HLEIMQLXJXJMCY-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP CC(C)[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169984698 1081782261 /nfs/dbraw/zinc/78/22/61/1081782261.db2.gz QDSPDTWASAXLJA-SHTZXODSSA-N 2 1 311.514 3.378 20 0 DGADMP CC1(C)CC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)N1O ZINC001169984646 1081783073 /nfs/dbraw/zinc/78/30/73/1081783073.db2.gz NNDMCSOSTIALQJ-WKILWMFISA-N 2 1 323.525 3.379 20 0 DGADMP CC1(C)CC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC(C)(C)N1O ZINC001169988388 1081785862 /nfs/dbraw/zinc/78/58/62/1081785862.db2.gz SWLATNGNJIGJCL-OAHLLOKOSA-N 2 1 311.514 3.238 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001648814815 1081927656 /nfs/dbraw/zinc/92/76/56/1081927656.db2.gz QGLJLIVOOHYMOD-HOTGVXAUSA-N 2 1 321.484 3.349 20 0 DGADMP CCC(CC)(CCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000072927312 1082066516 /nfs/dbraw/zinc/06/65/16/1082066516.db2.gz WRFMOLOAJQEYFQ-UHFFFAOYSA-N 2 1 318.505 3.429 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136332 1082176737 /nfs/dbraw/zinc/17/67/37/1082176737.db2.gz JUGJUJBEKTUAHS-BZUAXINKSA-N 2 1 304.482 3.289 20 0 DGADMP C[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC001167477295 1082217725 /nfs/dbraw/zinc/21/77/25/1082217725.db2.gz COWVMSXKKLUYTR-PVAVHDDUSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC001167477295 1082217728 /nfs/dbraw/zinc/21/77/28/1082217728.db2.gz COWVMSXKKLUYTR-PVAVHDDUSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167477295 1082217734 /nfs/dbraw/zinc/21/77/34/1082217734.db2.gz COWVMSXKKLUYTR-PVAVHDDUSA-N 2 1 308.416 3.309 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192838 1082310194 /nfs/dbraw/zinc/31/01/94/1082310194.db2.gz KWZXBMRGGXKXFY-VJANTYMQSA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196967 1082316735 /nfs/dbraw/zinc/31/67/35/1082316735.db2.gz UVTXDSRPVGISGW-CADBVGFASA-N 2 1 317.477 3.111 20 0 DGADMP C[NH+]1CC(CNc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001170256104 1082328402 /nfs/dbraw/zinc/32/84/02/1082328402.db2.gz DEBGJVZVYALYQA-UHFFFAOYSA-N 2 1 307.441 3.176 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001207283458 1082514039 /nfs/dbraw/zinc/51/40/39/1082514039.db2.gz YRANIDIEPAIGBU-UHFFFAOYSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207285835 1082522278 /nfs/dbraw/zinc/52/22/78/1082522278.db2.gz OXUIUHGIAOCISZ-QGZVFWFLSA-N 2 1 304.478 3.426 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207285835 1082522281 /nfs/dbraw/zinc/52/22/81/1082522281.db2.gz OXUIUHGIAOCISZ-QGZVFWFLSA-N 2 1 304.478 3.426 20 0 DGADMP CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001267141556 1082559180 /nfs/dbraw/zinc/55/91/80/1082559180.db2.gz DULSVLIXYXLWAE-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001167648706 1082643105 /nfs/dbraw/zinc/64/31/05/1082643105.db2.gz XFCVXOBMVSROEM-GUDVDZBRSA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001167648706 1082643109 /nfs/dbraw/zinc/64/31/09/1082643109.db2.gz XFCVXOBMVSROEM-GUDVDZBRSA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001167648706 1082643111 /nfs/dbraw/zinc/64/31/11/1082643111.db2.gz XFCVXOBMVSROEM-GUDVDZBRSA-N 2 1 302.462 3.180 20 0 DGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107172 1082819575 /nfs/dbraw/zinc/81/95/75/1082819575.db2.gz YFCWRVWWAAIVLM-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170663501 1083065375 /nfs/dbraw/zinc/06/53/75/1083065375.db2.gz CZEHQWHDCFPXPN-JONQDZQNSA-N 2 1 306.400 3.037 20 0 DGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cccn2c[nH+]cc12 ZINC001170686376 1083126721 /nfs/dbraw/zinc/12/67/21/1083126721.db2.gz PWILJZMXGPBPSX-ZDUSSCGKSA-N 2 1 303.369 3.207 20 0 DGADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170753363 1083298671 /nfs/dbraw/zinc/29/86/71/1083298671.db2.gz OURHQRRCPAGJQJ-LUKYLMHMSA-N 2 1 320.521 3.433 20 0 DGADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170757559 1083307301 /nfs/dbraw/zinc/30/73/01/1083307301.db2.gz LEXRXWFJDCOFQV-YCKXBTPASA-N 2 1 310.485 3.485 20 0 DGADMP CC1(C)[C@@H]2C[C@@H]([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170757559 1083307307 /nfs/dbraw/zinc/30/73/07/1083307307.db2.gz LEXRXWFJDCOFQV-YCKXBTPASA-N 2 1 310.485 3.485 20 0 DGADMP CC1(C)[C@@H]2C[C@@H]([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170757559 1083307310 /nfs/dbraw/zinc/30/73/10/1083307310.db2.gz LEXRXWFJDCOFQV-YCKXBTPASA-N 2 1 310.485 3.485 20 0 DGADMP Cc1cc(N([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001170767955 1083319505 /nfs/dbraw/zinc/31/95/05/1083319505.db2.gz UQXNQDKRLDLUJN-OSYLJGHBSA-N 2 1 314.477 3.086 20 0 DGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772447 1083329549 /nfs/dbraw/zinc/32/95/49/1083329549.db2.gz DHKAJJQPGAJTTF-HUUCEWRRSA-N 2 1 313.530 3.026 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001134773717 1083330247 /nfs/dbraw/zinc/33/02/47/1083330247.db2.gz QSAJESDECSCBLD-HZPDHXFCSA-N 2 1 323.525 3.090 20 0 DGADMP CC[C@H](CC1CCCCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001181196259 1083426806 /nfs/dbraw/zinc/42/68/06/1083426806.db2.gz JYQNMUOVHXOILP-GOSISDBHSA-N 2 1 309.542 3.351 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC(C(C)C)C(C)C ZINC001181485797 1083483509 /nfs/dbraw/zinc/48/35/09/1083483509.db2.gz JQALCAVRUGKZFE-SFHVURJKSA-N 2 1 311.558 3.263 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC001181592428 1083496598 /nfs/dbraw/zinc/49/65/98/1083496598.db2.gz ZSMGATVPZBGMKF-RDJZCZTQSA-N 2 1 322.468 3.477 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC001181592428 1083496604 /nfs/dbraw/zinc/49/66/04/1083496604.db2.gz ZSMGATVPZBGMKF-RDJZCZTQSA-N 2 1 322.468 3.477 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001181869644 1083564363 /nfs/dbraw/zinc/56/43/63/1083564363.db2.gz ZOGXBNLKZWKAJX-UHFFFAOYSA-N 2 1 323.525 3.009 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[PH+](C(C)C)C(C)C ZINC001182000655 1083602611 /nfs/dbraw/zinc/60/26/11/1083602611.db2.gz AWBVUGKDGNCMCX-OAHLLOKOSA-N 2 1 300.427 3.276 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1cc[nH+]c(N)c1 ZINC001206543407 1083833487 /nfs/dbraw/zinc/83/34/87/1083833487.db2.gz ZNNRUOUGAWBIHO-UHFFFAOYSA-N 2 1 318.178 3.126 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)CC1 ZINC001183660910 1084001620 /nfs/dbraw/zinc/00/16/20/1084001620.db2.gz CJADRVLTDDDQKT-KRWDZBQOSA-N 2 1 318.509 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)CC1 ZINC001183660910 1084001634 /nfs/dbraw/zinc/00/16/34/1084001634.db2.gz CJADRVLTDDDQKT-KRWDZBQOSA-N 2 1 318.509 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)CC1 ZINC001183660910 1084001648 /nfs/dbraw/zinc/00/16/48/1084001648.db2.gz CJADRVLTDDDQKT-KRWDZBQOSA-N 2 1 318.509 3.444 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205281202 1084015776 /nfs/dbraw/zinc/01/57/76/1084015776.db2.gz RDISNZBADDLICT-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205281202 1084015791 /nfs/dbraw/zinc/01/57/91/1084015791.db2.gz RDISNZBADDLICT-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP CC[C@H]1[N@H+]([C@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2 ZINC001167823172 1084106192 /nfs/dbraw/zinc/10/61/92/1084106192.db2.gz JOWMTPFAABRQMT-LMMKCTJWSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001167826811 1084120437 /nfs/dbraw/zinc/12/04/37/1084120437.db2.gz YZBLAAKPYUBSMG-YSIASYRMSA-N 2 1 318.505 3.175 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001167835718 1084158674 /nfs/dbraw/zinc/15/86/74/1084158674.db2.gz UEFYODOERMXJCU-BZSNNMDCSA-N 2 1 313.505 3.005 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001167835718 1084158681 /nfs/dbraw/zinc/15/86/81/1084158681.db2.gz UEFYODOERMXJCU-BZSNNMDCSA-N 2 1 313.505 3.005 20 0 DGADMP CCCCOC(=O)[C@@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167835910 1084159675 /nfs/dbraw/zinc/15/96/75/1084159675.db2.gz VWPVRLJJHDKLRH-IAGOWNOFSA-N 2 1 312.498 3.162 20 0 DGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184389226 1084169932 /nfs/dbraw/zinc/16/99/32/1084169932.db2.gz WMIKEFZTEVUEDH-IHMNZUQTSA-N 2 1 311.473 3.419 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001205297087 1084175498 /nfs/dbraw/zinc/17/54/98/1084175498.db2.gz YRXMNVXRDZUTGD-SFHVURJKSA-N 2 1 305.441 3.129 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306737 1084239459 /nfs/dbraw/zinc/23/94/59/1084239459.db2.gz ZOLFHTKRGQAMFK-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306737 1084239469 /nfs/dbraw/zinc/23/94/69/1084239469.db2.gz ZOLFHTKRGQAMFK-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001185554500 1084468031 /nfs/dbraw/zinc/46/80/31/1084468031.db2.gz CMIYDTRCNBYWOX-ZDUSSCGKSA-N 2 1 313.367 3.199 20 0 DGADMP CC[NH+](CC)c1ccc(Nc2cnn(CCC[NH+](C)C)c2)cc1 ZINC001186969276 1084733575 /nfs/dbraw/zinc/73/35/75/1084733575.db2.gz WNIWPPVVZYSUNB-UHFFFAOYSA-N 2 1 315.465 3.425 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4C[C@H]4C2)CC3)co1 ZINC001167937414 1084866521 /nfs/dbraw/zinc/86/65/21/1084866521.db2.gz AVBCTHYONIAQTM-PIIMJCKOSA-N 2 1 300.446 3.366 20 0 DGADMP COc1c(Cl)cccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734626 1084873110 /nfs/dbraw/zinc/87/31/10/1084873110.db2.gz AFDCGJAQDCDUCC-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP [NH3+]Cc1cccc2cnn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c21 ZINC001167967948 1085892306 /nfs/dbraw/zinc/89/23/06/1085892306.db2.gz MCUKKHNSDYAOAL-JWTNVVGKSA-N 2 1 310.445 3.073 20 0 DGADMP Fc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167968776 1085897561 /nfs/dbraw/zinc/89/75/61/1085897561.db2.gz VHYDGEJNOVADHX-AYHJJNSGSA-N 2 1 318.436 3.200 20 0 DGADMP CC(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167971249 1085904888 /nfs/dbraw/zinc/90/48/88/1085904888.db2.gz VFRYFRWQICEPNA-IHWFROFDSA-N 2 1 319.537 3.102 20 0 DGADMP CCOc1cc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC001143574397 1085926092 /nfs/dbraw/zinc/92/60/92/1085926092.db2.gz BQCPPBCYZOGJMS-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CCOc1cc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC001143574397 1085926099 /nfs/dbraw/zinc/92/60/99/1085926099.db2.gz BQCPPBCYZOGJMS-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC3(CCCO3)CC1)C2 ZINC001167995461 1086063486 /nfs/dbraw/zinc/06/34/86/1086063486.db2.gz GIGJOLWINNZMJF-JWTNVVGKSA-N 2 1 304.478 3.037 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC3(CCCO3)CC1)C2 ZINC001167995461 1086063491 /nfs/dbraw/zinc/06/34/91/1086063491.db2.gz GIGJOLWINNZMJF-JWTNVVGKSA-N 2 1 304.478 3.037 20 0 DGADMP CCN(CC[NH+](CC)CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995691 1086065009 /nfs/dbraw/zinc/06/50/09/1086065009.db2.gz OFPPEOOHPGXPLN-DFNIBXOVSA-N 2 1 307.526 3.056 20 0 DGADMP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001482446202 1086207495 /nfs/dbraw/zinc/20/74/95/1086207495.db2.gz QQKZAPXFQSUBHW-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC001168014784 1086277499 /nfs/dbraw/zinc/27/74/99/1086277499.db2.gz MDBPPPTVTFKYDP-IZZQQSIFSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CO)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168039182 1086496419 /nfs/dbraw/zinc/49/64/19/1086496419.db2.gz BYLLFYJYOXBMBA-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039182 1086496426 /nfs/dbraw/zinc/49/64/26/1086496426.db2.gz BYLLFYJYOXBMBA-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039182 1086496430 /nfs/dbraw/zinc/49/64/30/1086496430.db2.gz BYLLFYJYOXBMBA-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039182 1086496441 /nfs/dbraw/zinc/49/64/41/1086496441.db2.gz BYLLFYJYOXBMBA-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039182 1086496447 /nfs/dbraw/zinc/49/64/47/1086496447.db2.gz BYLLFYJYOXBMBA-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP CC[N@H+](CCOC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041503 1086509362 /nfs/dbraw/zinc/50/93/62/1086509362.db2.gz SJBOCLCJQMIWEP-IRXDYDNUSA-N 2 1 304.478 3.396 20 0 DGADMP CC[N@@H+](CCOC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041503 1086509366 /nfs/dbraw/zinc/50/93/66/1086509366.db2.gz SJBOCLCJQMIWEP-IRXDYDNUSA-N 2 1 304.478 3.396 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001168121958 1086945715 /nfs/dbraw/zinc/94/57/15/1086945715.db2.gz ONUZFDKSDQSCIS-SJLPKXTDSA-N 2 1 318.461 3.135 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001168260759 1087077826 /nfs/dbraw/zinc/07/78/26/1087077826.db2.gz PSJHRNNHKGPQSC-QAPCUYQASA-N 2 1 302.462 3.003 20 0 DGADMP CN(C)CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168295027 1087285155 /nfs/dbraw/zinc/28/51/55/1087285155.db2.gz PQYRUDNZWUNDOC-ACBHZAAOSA-N 2 1 303.494 3.142 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001168323146 1087293618 /nfs/dbraw/zinc/29/36/18/1087293618.db2.gz RXTVHJADNGYKPW-TVPLGVNVSA-N 2 1 302.462 3.403 20 0 DGADMP Cc1ccc([C@]2(C)C[N@@H+](C3CCC([NH+](C)C)CC3)CCO2)cc1 ZINC001168326575 1087294382 /nfs/dbraw/zinc/29/43/82/1087294382.db2.gz BSPBKFMXKNJUTP-MHJFOBGBSA-N 2 1 316.489 3.415 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168330316 1087296413 /nfs/dbraw/zinc/29/64/13/1087296413.db2.gz PACHRXMPYHJZMY-DAWZGUTISA-N 2 1 317.477 3.106 20 0 DGADMP CC(C)(C)C[NH+]1CCC(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168365695 1087385569 /nfs/dbraw/zinc/38/55/69/1087385569.db2.gz DZDFVJGJYNLAQC-UHFFFAOYSA-N 2 1 321.553 3.209 20 0 DGADMP Cc1cccn2c([C@H](C)[NH2+]C3CC[NH+](CC4CC4)CC3)cnc12 ZINC001168366018 1087394032 /nfs/dbraw/zinc/39/40/32/1087394032.db2.gz IIGMEZKOAGBJPE-HNNXBMFYSA-N 2 1 312.461 3.168 20 0 DGADMP COc1cc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168368592 1087428694 /nfs/dbraw/zinc/42/86/94/1087428694.db2.gz MCDODHUSRWGYQM-IBGZPJMESA-N 2 1 315.461 3.005 20 0 DGADMP COc1cncc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC001168370589 1087441057 /nfs/dbraw/zinc/44/10/57/1087441057.db2.gz BNGJLRIMSCGXPE-LJQANCHMSA-N 2 1 315.461 3.005 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(F)c1 ZINC001212142135 1087512248 /nfs/dbraw/zinc/51/22/48/1087512248.db2.gz CZHNAOLGYJKKEM-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145605 1087539957 /nfs/dbraw/zinc/53/99/57/1087539957.db2.gz YJCYNNGNIUOCMV-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)c12 ZINC001158260178 1087746375 /nfs/dbraw/zinc/74/63/75/1087746375.db2.gz XEMUIDNUOHIYLA-SJCJKPOMSA-N 2 1 301.438 3.222 20 0 DGADMP CC1(C)C[C@H](Nc2nc(NC3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158259136 1087746412 /nfs/dbraw/zinc/74/64/12/1087746412.db2.gz FOMHFNSITJXYAS-GUYCJALGSA-N 2 1 303.454 3.007 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)c12 ZINC001158260177 1087747882 /nfs/dbraw/zinc/74/78/82/1087747882.db2.gz XEMUIDNUOHIYLA-PXAZEXFGSA-N 2 1 301.438 3.222 20 0 DGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc2[nH]ccc2c[nH+]1 ZINC001158291924 1087761537 /nfs/dbraw/zinc/76/15/37/1087761537.db2.gz DUWYYNUKEAQFNW-UHFFFAOYSA-N 2 1 320.396 3.325 20 0 DGADMP C[C@H]1C[C@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c2ccccc21 ZINC001158472468 1087850877 /nfs/dbraw/zinc/85/08/77/1087850877.db2.gz NJKPGDQZKZXPDM-GUYCJALGSA-N 2 1 323.444 3.065 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC001205101430 1087871593 /nfs/dbraw/zinc/87/15/93/1087871593.db2.gz FDGUFJATVWXBHQ-CYBMUJFWSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205110294 1087935912 /nfs/dbraw/zinc/93/59/12/1087935912.db2.gz QXEJQUXEYURTEY-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205110294 1087935937 /nfs/dbraw/zinc/93/59/37/1087935937.db2.gz QXEJQUXEYURTEY-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP c1ccc2c(c1)C[NH2+]C21CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001159031406 1088150708 /nfs/dbraw/zinc/15/07/08/1088150708.db2.gz HOZRZHHGEUMRMS-UHFFFAOYSA-N 2 1 305.425 3.169 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153367750 1088234433 /nfs/dbraw/zinc/23/44/33/1088234433.db2.gz DWVAGNNSXAKRGI-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205140868 1088246322 /nfs/dbraw/zinc/24/63/22/1088246322.db2.gz QBGCMBHXTVUPKT-GXSJLCMTSA-N 2 1 322.758 3.265 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205140868 1088246337 /nfs/dbraw/zinc/24/63/37/1088246337.db2.gz QBGCMBHXTVUPKT-GXSJLCMTSA-N 2 1 322.758 3.265 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153728943 1088339403 /nfs/dbraw/zinc/33/94/03/1088339403.db2.gz VOMZYPJCIOINTG-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153728943 1088339419 /nfs/dbraw/zinc/33/94/19/1088339419.db2.gz VOMZYPJCIOINTG-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153728943 1088339429 /nfs/dbraw/zinc/33/94/29/1088339429.db2.gz VOMZYPJCIOINTG-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP Nc1ccc[nH+]c1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001159560889 1088396513 /nfs/dbraw/zinc/39/65/13/1088396513.db2.gz JZKMRBBATNYHPH-BXNZUYAZSA-N 2 1 322.456 3.296 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235937932 1088482457 /nfs/dbraw/zinc/48/24/57/1088482457.db2.gz JRLBFYZXWPHYSU-KGLIPLIRSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235937932 1088482460 /nfs/dbraw/zinc/48/24/60/1088482460.db2.gz JRLBFYZXWPHYSU-KGLIPLIRSA-N 2 1 323.278 3.107 20 0 DGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC1(F)CC[NH2+]CC1 ZINC001235949527 1088487950 /nfs/dbraw/zinc/48/79/50/1088487950.db2.gz BHDIPUKABVEKOT-UHFFFAOYSA-N 2 1 304.331 3.229 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236215163 1088711900 /nfs/dbraw/zinc/71/19/00/1088711900.db2.gz WQPMXFWEQNNIHL-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236215163 1088711911 /nfs/dbraw/zinc/71/19/11/1088711911.db2.gz WQPMXFWEQNNIHL-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519281 1088848442 /nfs/dbraw/zinc/84/84/42/1088848442.db2.gz YQFDMYUUZPQSJK-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519281 1088848443 /nfs/dbraw/zinc/84/84/43/1088848443.db2.gz YQFDMYUUZPQSJK-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519281 1088848444 /nfs/dbraw/zinc/84/84/44/1088848444.db2.gz YQFDMYUUZPQSJK-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)nc1 ZINC001155188518 1088998722 /nfs/dbraw/zinc/99/87/22/1088998722.db2.gz LFCFDWKQJMDFNB-DJIMGWMZSA-N 2 1 302.466 3.181 20 0 DGADMP Cc1ccc2c(c1)[C@H](Nc1ccc(N)c[nH+]1)CC21CC[NH2+]CC1 ZINC001155431929 1089108211 /nfs/dbraw/zinc/10/82/11/1089108211.db2.gz ZZTSKPISYAOQQT-QGZVFWFLSA-N 2 1 308.429 3.150 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(NC3CC[NH+](CC(C)(C)C)CC3)c12 ZINC001161206795 1089153080 /nfs/dbraw/zinc/15/30/80/1089153080.db2.gz VBTGFAKWHUTVKA-UHFFFAOYSA-N 2 1 301.438 3.189 20 0 DGADMP CCCCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559185 1089162245 /nfs/dbraw/zinc/16/22/45/1089162245.db2.gz MPLDULHAQFLSRL-MRXNPFEDSA-N 2 1 322.497 3.023 20 0 DGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559185 1089162260 /nfs/dbraw/zinc/16/22/60/1089162260.db2.gz MPLDULHAQFLSRL-MRXNPFEDSA-N 2 1 322.497 3.023 20 0 DGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161240585 1089164016 /nfs/dbraw/zinc/16/40/16/1089164016.db2.gz YOHWGDPJZFGPGJ-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155598559 1089179022 /nfs/dbraw/zinc/17/90/22/1089179022.db2.gz QKAYKKNCIICXOA-BEFAXECRSA-N 2 1 311.429 3.114 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2C[NH+]3CCC2CC3)nc1 ZINC001155666933 1089205596 /nfs/dbraw/zinc/20/55/96/1089205596.db2.gz BIBSXZUHOSARFW-ZWKOTPCHSA-N 2 1 314.477 3.135 20 0 DGADMP c1ccc(CC2(Nc3[nH+]ccc4ccccc43)CC[NH2+]CC2)nc1 ZINC001161491890 1089260296 /nfs/dbraw/zinc/26/02/96/1089260296.db2.gz UGBFZJQPJGCJAI-UHFFFAOYSA-N 2 1 318.424 3.407 20 0 DGADMP Cc1c[nH+]c(N2CCC([NH3+])(CC3CCC3)CC2)nc1NC(C)C ZINC001161570197 1089291438 /nfs/dbraw/zinc/29/14/38/1089291438.db2.gz WYUIPPJNVGWZBY-UHFFFAOYSA-N 2 1 317.481 3.093 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H](C)C[NH+](C)C)nc1 ZINC001155923039 1089299881 /nfs/dbraw/zinc/29/98/81/1089299881.db2.gz CWAZZFPXPQIHQX-RDJZCZTQSA-N 2 1 304.482 3.381 20 0 DGADMP COc1cccc(C2(Nc3ccc4c([nH+]3)CCC4)CC[NH2+]CC2)c1 ZINC001161996265 1089515665 /nfs/dbraw/zinc/51/56/65/1089515665.db2.gz QXSNLPNNZQGXKR-UHFFFAOYSA-N 2 1 323.440 3.270 20 0 DGADMP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)c2ccc3c([nH+]2)CCC3)CC1 ZINC001162194893 1089603226 /nfs/dbraw/zinc/60/32/26/1089603226.db2.gz AVSVQEHEZBFOGO-IYARVYRRSA-N 2 1 322.456 3.242 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001162472041 1089751395 /nfs/dbraw/zinc/75/13/95/1089751395.db2.gz TYQNAKSMTFFYGG-OLZOCXBDSA-N 2 1 311.420 3.074 20 0 DGADMP Cc1cc(C(F)(F)F)cc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001162572630 1089798034 /nfs/dbraw/zinc/79/80/34/1089798034.db2.gz IHARYHHEQNYLAS-CYBMUJFWSA-N 2 1 305.319 3.303 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580167 1089806239 /nfs/dbraw/zinc/80/62/39/1089806239.db2.gz NUTCGHNJQNHFNS-FUHWJXTLSA-N 2 1 320.456 3.132 20 0 DGADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC)C2C[NH+](C)C2)nc1 ZINC001157461573 1089978530 /nfs/dbraw/zinc/97/85/30/1089978530.db2.gz OGFRWRQMIDLNJA-GOSISDBHSA-N 2 1 316.493 3.159 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(CC)C2C[NH+](C)C2)nc1 ZINC001157461573 1089978551 /nfs/dbraw/zinc/97/85/51/1089978551.db2.gz OGFRWRQMIDLNJA-GOSISDBHSA-N 2 1 316.493 3.159 20 0 DGADMP CCC[NH+]1C[C@@H]2CN(c3cc(OC)c4ccccc4[nH+]3)C[C@H]2C1 ZINC001157692775 1090077857 /nfs/dbraw/zinc/07/78/57/1090077857.db2.gz SLZOIBVBKVGSNA-HUUCEWRRSA-N 2 1 311.429 3.021 20 0 DGADMP Cc1ccc(-c2ccnc(NCc3noc4c3CNCC4)c2)cc1 ZINC001163126096 1090085131 /nfs/dbraw/zinc/08/51/31/1090085131.db2.gz LTOXCRPFOREXNJ-UHFFFAOYSA-N 2 1 320.396 3.303 20 0 DGADMP CC/C=C\CC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274759 1090136716 /nfs/dbraw/zinc/13/67/16/1090136716.db2.gz FUVUSBOWMHBQIQ-PLNGDYQASA-N 2 1 323.525 3.093 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCC3CC[NH+](CC4CC4)CC3)c12 ZINC001163801035 1090261791 /nfs/dbraw/zinc/26/17/91/1090261791.db2.gz AUFVGLOTLVDDAU-UHFFFAOYSA-N 2 1 313.449 3.006 20 0 DGADMP CCCNc1nc(NCc2cccc(C[NH+](C)C)c2)[nH+]cc1C ZINC001163988177 1090308742 /nfs/dbraw/zinc/30/87/42/1090308742.db2.gz JEZUGKOXVNNTHI-UHFFFAOYSA-N 2 1 313.449 3.281 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001165107374 1090466040 /nfs/dbraw/zinc/46/60/40/1090466040.db2.gz DYCFKLZFCKKMNX-SFHVURJKSA-N 2 1 315.461 3.039 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001165107374 1090466042 /nfs/dbraw/zinc/46/60/42/1090466042.db2.gz DYCFKLZFCKKMNX-SFHVURJKSA-N 2 1 315.461 3.039 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CCCC[NH2+]2)CC1 ZINC001165248995 1090488574 /nfs/dbraw/zinc/48/85/74/1090488574.db2.gz RTDUXWJSMLZFCC-UHFFFAOYSA-N 2 1 313.449 3.125 20 0 DGADMP CC[NH+](CC)Cc1cncc(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001165289941 1090497868 /nfs/dbraw/zinc/49/78/68/1090497868.db2.gz MLVTWJHHXXQPNU-MRXNPFEDSA-N 2 1 304.482 3.067 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(NCC[C@@H]3CCC[NH+](C)C3)cc2)C1 ZINC001165300941 1090499867 /nfs/dbraw/zinc/49/98/67/1090499867.db2.gz VBNFCYAHGIVKKA-WMZOPIPTSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@H](c2ccc(NCC[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001165300941 1090499869 /nfs/dbraw/zinc/49/98/69/1090499869.db2.gz VBNFCYAHGIVKKA-WMZOPIPTSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@H](c2ccc(NCC[C@@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001165300941 1090499872 /nfs/dbraw/zinc/49/98/72/1090499872.db2.gz VBNFCYAHGIVKKA-WMZOPIPTSA-N 2 1 301.478 3.250 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H](C)C3)CC2)oc1C ZINC001649090665 1090594011 /nfs/dbraw/zinc/59/40/11/1090594011.db2.gz JHBAVHDPTFARPJ-SUMWQHHRSA-N 2 1 305.466 3.282 20 0 DGADMP COc1ccc2c(Nc3cnc4c(c3)C[N@H+](C)CC4)cc[nH+]c2c1 ZINC001203522968 1090748480 /nfs/dbraw/zinc/74/84/80/1090748480.db2.gz OCNBBWAQZQPCJE-UHFFFAOYSA-N 2 1 320.396 3.370 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185627 1090782306 /nfs/dbraw/zinc/78/23/06/1090782306.db2.gz CBAJPIBPHVRZJD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203891510 1090829814 /nfs/dbraw/zinc/82/98/14/1090829814.db2.gz SOUTWSATLCFFCK-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203891510 1090829818 /nfs/dbraw/zinc/82/98/18/1090829818.db2.gz SOUTWSATLCFFCK-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203891510 1090829821 /nfs/dbraw/zinc/82/98/21/1090829821.db2.gz SOUTWSATLCFFCK-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203891510 1090829826 /nfs/dbraw/zinc/82/98/26/1090829826.db2.gz SOUTWSATLCFFCK-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203891510 1090829828 /nfs/dbraw/zinc/82/98/28/1090829828.db2.gz SOUTWSATLCFFCK-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203891510 1090829830 /nfs/dbraw/zinc/82/98/30/1090829830.db2.gz SOUTWSATLCFFCK-HXUWFJFHSA-N 2 1 316.489 3.318 20 0 DGADMP CCCCOc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)cc1 ZINC001203974062 1090855736 /nfs/dbraw/zinc/85/57/36/1090855736.db2.gz SHKKHXJGEFWNEY-QZTJIDSGSA-N 2 1 302.462 3.249 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203991204 1090861149 /nfs/dbraw/zinc/86/11/49/1090861149.db2.gz FHFUSRARMMSTBD-IRXDYDNUSA-N 2 1 310.441 3.232 20 0 DGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cccs2)CC1 ZINC001204016799 1090871015 /nfs/dbraw/zinc/87/10/15/1090871015.db2.gz JTKSFISPVFSOBT-UHFFFAOYSA-N 2 1 323.550 3.378 20 0 DGADMP C([C@@H]1CCCCO1)[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276442381 1090904916 /nfs/dbraw/zinc/90/49/16/1090904916.db2.gz CIRSCPLWPWYZSL-SCTDSRPQSA-N 2 1 306.494 3.142 20 0 DGADMP C([C@@H]1CCCCO1)[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276442381 1090904921 /nfs/dbraw/zinc/90/49/21/1090904921.db2.gz CIRSCPLWPWYZSL-SCTDSRPQSA-N 2 1 306.494 3.142 20 0 DGADMP C([C@@H]1CCCCO1)[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276442381 1090904925 /nfs/dbraw/zinc/90/49/25/1090904925.db2.gz CIRSCPLWPWYZSL-SCTDSRPQSA-N 2 1 306.494 3.142 20 0 DGADMP C([C@H]1CCCCO1)[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276444321 1090907991 /nfs/dbraw/zinc/90/79/91/1090907991.db2.gz RRKKVEFOHPJLDC-GOSISDBHSA-N 2 1 306.494 3.286 20 0 DGADMP CN1CCC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001204430640 1090967697 /nfs/dbraw/zinc/96/76/97/1090967697.db2.gz GNPPYDLGVHWGJX-UHFFFAOYSA-N 2 1 302.340 3.111 20 0 DGADMP CN(Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204430640 1090967698 /nfs/dbraw/zinc/96/76/98/1090967698.db2.gz GNPPYDLGVHWGJX-UHFFFAOYSA-N 2 1 302.340 3.111 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC001204506355 1090985833 /nfs/dbraw/zinc/98/58/33/1090985833.db2.gz ATPAGCVEJDFOFJ-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP Cc1nc[nH]c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001204602889 1091005408 /nfs/dbraw/zinc/00/54/08/1091005408.db2.gz AWXBWFQYVGUNOG-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204602889 1091005411 /nfs/dbraw/zinc/00/54/11/1091005411.db2.gz AWXBWFQYVGUNOG-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204602889 1091005415 /nfs/dbraw/zinc/00/54/15/1091005415.db2.gz AWXBWFQYVGUNOG-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Fc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)c(F)c1 ZINC001204685142 1091017255 /nfs/dbraw/zinc/01/72/55/1091017255.db2.gz UIRIDTWLSLHXCX-UHFFFAOYSA-N 2 1 302.368 3.427 20 0 DGADMP Fc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)c(F)c1 ZINC001204685142 1091017260 /nfs/dbraw/zinc/01/72/60/1091017260.db2.gz UIRIDTWLSLHXCX-UHFFFAOYSA-N 2 1 302.368 3.427 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)CC1 ZINC001204690358 1091018251 /nfs/dbraw/zinc/01/82/51/1091018251.db2.gz PWKVMUNQQWFUOQ-PXNSSMCTSA-N 2 1 316.489 3.489 20 0 DGADMP Clc1cccc2c1C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001168737640 1091026833 /nfs/dbraw/zinc/02/68/33/1091026833.db2.gz BMIQSSGLIYYADV-CQSZACIVSA-N 2 1 301.821 3.343 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204742718 1091027532 /nfs/dbraw/zinc/02/75/32/1091027532.db2.gz RGPJJTRIPHLWAM-UHFFFAOYSA-N 2 1 306.425 3.190 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(/C=C/c3ccccc3)cc2)CCO1 ZINC001204755297 1091030417 /nfs/dbraw/zinc/03/04/17/1091030417.db2.gz FUIRXXSJKYRUBZ-BXKJMJEDSA-N 2 1 322.452 3.407 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(/C=C/c3ccccc3)cc2)CCO1 ZINC001204755297 1091030424 /nfs/dbraw/zinc/03/04/24/1091030424.db2.gz FUIRXXSJKYRUBZ-BXKJMJEDSA-N 2 1 322.452 3.407 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001204863487 1091050695 /nfs/dbraw/zinc/05/06/95/1091050695.db2.gz IRXGJAAUUVGVNB-LJQANCHMSA-N 2 1 322.452 3.330 20 0 DGADMP CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870035 1091051400 /nfs/dbraw/zinc/05/14/00/1091051400.db2.gz NEKBMQJUHBXEHM-WBVHZDCISA-N 2 1 320.477 3.063 20 0 DGADMP CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870035 1091051404 /nfs/dbraw/zinc/05/14/04/1091051404.db2.gz NEKBMQJUHBXEHM-WBVHZDCISA-N 2 1 320.477 3.063 20 0 DGADMP C[NH+](C)CC1(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)CCCC1 ZINC001276478189 1091071595 /nfs/dbraw/zinc/07/15/95/1091071595.db2.gz QFQRGMSSVRRUQR-OALUTQOASA-N 2 1 319.537 3.200 20 0 DGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276478268 1091077269 /nfs/dbraw/zinc/07/72/69/1091077269.db2.gz RKTYXZDZNCQWSP-ZYHOBAKYSA-N 2 1 307.526 3.081 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116888 1091106434 /nfs/dbraw/zinc/10/64/34/1091106434.db2.gz IPMHHHGHSQVMLC-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116888 1091106437 /nfs/dbraw/zinc/10/64/37/1091106437.db2.gz IPMHHHGHSQVMLC-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C)cc1Br ZINC001205124343 1091107981 /nfs/dbraw/zinc/10/79/81/1091107981.db2.gz OPPWUCGHAKXKGO-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)cc1Br ZINC001205124343 1091107984 /nfs/dbraw/zinc/10/79/84/1091107984.db2.gz OPPWUCGHAKXKGO-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123858 1091108019 /nfs/dbraw/zinc/10/80/19/1091108019.db2.gz GDLSDQRABAVFCL-SFHVURJKSA-N 2 1 311.429 3.070 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc2c1NC(C)(C)C=C2 ZINC001205130636 1091108976 /nfs/dbraw/zinc/10/89/76/1091108976.db2.gz KQCVPKUJWFZNFQ-MRXNPFEDSA-N 2 1 315.461 3.226 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C[C@H]1C[NH3+] ZINC001205155799 1091114347 /nfs/dbraw/zinc/11/43/47/1091114347.db2.gz FMAAMFCZSWFWFB-OXJNMPFZSA-N 2 1 323.484 3.446 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC001205156174 1091114438 /nfs/dbraw/zinc/11/44/38/1091114438.db2.gz PTRXIBLNOZCDLT-DZGCQCFKSA-N 2 1 315.848 3.429 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205241244 1091144769 /nfs/dbraw/zinc/14/47/69/1091144769.db2.gz RYJMMKFWDKRXFU-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP C[C@@]1([NH3+])CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205255093 1091151114 /nfs/dbraw/zinc/15/11/14/1091151114.db2.gz GPRJTNCPHZQXQF-VQTJNVASSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255093 1091151121 /nfs/dbraw/zinc/15/11/21/1091151121.db2.gz GPRJTNCPHZQXQF-VQTJNVASSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255093 1091151127 /nfs/dbraw/zinc/15/11/27/1091151127.db2.gz GPRJTNCPHZQXQF-VQTJNVASSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccn2-c2ccccc2F)CC1 ZINC001205266432 1091156715 /nfs/dbraw/zinc/15/67/15/1091156715.db2.gz UPLDDEZMZPLEHX-GOSISDBHSA-N 2 1 301.409 3.320 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccn2-c2ccccc2F)CC1 ZINC001205266432 1091156720 /nfs/dbraw/zinc/15/67/20/1091156720.db2.gz UPLDDEZMZPLEHX-GOSISDBHSA-N 2 1 301.409 3.320 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205265668 1091156895 /nfs/dbraw/zinc/15/68/95/1091156895.db2.gz QPRZOHNQUAFIQO-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205265668 1091156906 /nfs/dbraw/zinc/15/69/06/1091156906.db2.gz QPRZOHNQUAFIQO-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1OCC ZINC001205274005 1091161050 /nfs/dbraw/zinc/16/10/50/1091161050.db2.gz RKHZMFSIBIJGRC-SFHVURJKSA-N 2 1 306.450 3.187 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205280775 1091162619 /nfs/dbraw/zinc/16/26/19/1091162619.db2.gz ISIVKZYWCXJZHS-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205280775 1091162621 /nfs/dbraw/zinc/16/26/21/1091162621.db2.gz ISIVKZYWCXJZHS-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001205289603 1091167940 /nfs/dbraw/zinc/16/79/40/1091167940.db2.gz ZKGVXMMKGTYEBH-QGZVFWFLSA-N 2 1 318.852 3.229 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC001205303183 1091172316 /nfs/dbraw/zinc/17/23/16/1091172316.db2.gz ASJUPODHVAYWHG-YOEHRIQHSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)C[C@H]1C[NH3+] ZINC001205303455 1091173669 /nfs/dbraw/zinc/17/36/69/1091173669.db2.gz FVKSFBXKXQZIMT-XJKSGUPXSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@@H]1C[NH3+] ZINC001205306310 1091176633 /nfs/dbraw/zinc/17/66/33/1091176633.db2.gz VHTIWMGACZNNFK-WBVHZDCISA-N 2 1 317.477 3.210 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@@H]1C[NH3+] ZINC001205306310 1091176637 /nfs/dbraw/zinc/17/66/37/1091176637.db2.gz VHTIWMGACZNNFK-WBVHZDCISA-N 2 1 317.477 3.210 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C[C@H]1C[NH3+] ZINC001205306757 1091177163 /nfs/dbraw/zinc/17/71/63/1091177163.db2.gz ZQNOFXITHDFBJZ-FUHWJXTLSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C[C@H]1C[NH3+] ZINC001205316405 1091179667 /nfs/dbraw/zinc/17/96/67/1091179667.db2.gz IHNVTCKHNYXYEZ-GDBMZVCRSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC001205316512 1091181757 /nfs/dbraw/zinc/18/17/57/1091181757.db2.gz KHCXMLGAJSEOJD-DOTOQJQBSA-N 2 1 311.429 3.291 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205318526 1091183710 /nfs/dbraw/zinc/18/37/10/1091183710.db2.gz VQCGVZZFJLSOTR-MAUKXSAKSA-N 3 1 313.489 3.105 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205318526 1091183714 /nfs/dbraw/zinc/18/37/14/1091183714.db2.gz VQCGVZZFJLSOTR-MAUKXSAKSA-N 2 1 313.489 3.105 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC001205319096 1091183787 /nfs/dbraw/zinc/18/37/87/1091183787.db2.gz YRGCUXYDIVVCIT-OLZOCXBDSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC001205319096 1091183791 /nfs/dbraw/zinc/18/37/91/1091183791.db2.gz YRGCUXYDIVVCIT-OLZOCXBDSA-N 2 1 303.837 3.305 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(OC)cc12 ZINC001138511453 1091209754 /nfs/dbraw/zinc/20/97/54/1091209754.db2.gz GYYKXQMOPUDIRP-UHFFFAOYSA-N 2 1 303.450 3.340 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001205558853 1091253175 /nfs/dbraw/zinc/25/31/75/1091253175.db2.gz KDUAECDKCCVQBM-GFCCVEGCSA-N 2 1 321.259 3.164 20 0 DGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559486 1091253615 /nfs/dbraw/zinc/25/36/15/1091253615.db2.gz RQTJPMIOHDNVJF-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001205559424 1091253774 /nfs/dbraw/zinc/25/37/74/1091253774.db2.gz QJGOLWKEFOZYDM-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001205559424 1091253779 /nfs/dbraw/zinc/25/37/79/1091253779.db2.gz QJGOLWKEFOZYDM-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1F ZINC001205570533 1091260066 /nfs/dbraw/zinc/26/00/66/1091260066.db2.gz LDWFRYGKFULCCA-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP CCOc1ccc(F)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205570794 1091260654 /nfs/dbraw/zinc/26/06/54/1091260654.db2.gz PCCKRRILCJQHOM-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205570794 1091260661 /nfs/dbraw/zinc/26/06/61/1091260661.db2.gz PCCKRRILCJQHOM-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2C2CCOCC2)CC1 ZINC001205591756 1091270792 /nfs/dbraw/zinc/27/07/92/1091270792.db2.gz OWHRNYRHUCSXLX-IBGZPJMESA-N 2 1 320.452 3.234 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1 ZINC001205592507 1091270926 /nfs/dbraw/zinc/27/09/26/1091270926.db2.gz VWURHOUAPYKLLT-QGZVFWFLSA-N 2 1 312.404 3.266 20 0 DGADMP CC(=O)n1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c2ccccc21 ZINC001205601939 1091273374 /nfs/dbraw/zinc/27/33/74/1091273374.db2.gz GVFXKXXMPPYGAZ-GOEBONIOSA-N 2 1 313.445 3.108 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1C[NH3+] ZINC001205603603 1091275877 /nfs/dbraw/zinc/27/58/77/1091275877.db2.gz QWZIWVCTFIDAOD-UKRRQHHQSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205605271 1091276215 /nfs/dbraw/zinc/27/62/15/1091276215.db2.gz ZRLWKDRIRGJVBE-JSGCOSHPSA-N 2 1 316.367 3.392 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)cc1Cl ZINC001205616865 1091281280 /nfs/dbraw/zinc/28/12/80/1091281280.db2.gz HHGCGVYFGSGJFG-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205618340 1091283783 /nfs/dbraw/zinc/28/37/83/1091283783.db2.gz UWMIXYXOXQIDNQ-UKRRQHHQSA-N 2 1 312.404 3.137 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cscc2Br)CC[C@H]1C[NH3+] ZINC001205618076 1091284300 /nfs/dbraw/zinc/28/43/00/1091284300.db2.gz RFCKXRGKFKWONX-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205627083 1091286155 /nfs/dbraw/zinc/28/61/55/1091286155.db2.gz MKWNWXLQOPVKFA-WMLDXEAASA-N 2 1 313.445 3.457 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205627212 1091286181 /nfs/dbraw/zinc/28/61/81/1091286181.db2.gz NWMSJCWLEHPIIO-LSDHHAIUSA-N 2 1 315.461 3.373 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205626693 1091286489 /nfs/dbraw/zinc/28/64/89/1091286489.db2.gz IEQXHWHIHXSDSU-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205627549 1091287117 /nfs/dbraw/zinc/28/71/17/1091287117.db2.gz QLGDBCDUFGSPED-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276395288 1091287784 /nfs/dbraw/zinc/28/77/84/1091287784.db2.gz YZKIZPGSRWQHRK-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276395288 1091287792 /nfs/dbraw/zinc/28/77/92/1091287792.db2.gz YZKIZPGSRWQHRK-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276395288 1091287797 /nfs/dbraw/zinc/28/77/97/1091287797.db2.gz YZKIZPGSRWQHRK-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276395288 1091287805 /nfs/dbraw/zinc/28/78/05/1091287805.db2.gz YZKIZPGSRWQHRK-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC(C)C)c1 ZINC001205639523 1091291767 /nfs/dbraw/zinc/29/17/67/1091291767.db2.gz ZTKHVCKEEFZDGG-CVEARBPZSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccn2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205639037 1091292086 /nfs/dbraw/zinc/29/20/86/1091292086.db2.gz VDIWVMIZJNIEMG-IEBWSBKVSA-N 2 1 311.473 3.343 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651591 1091295529 /nfs/dbraw/zinc/29/55/29/1091295529.db2.gz HCTRDPKOBGGVGL-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651590 1091295560 /nfs/dbraw/zinc/29/55/60/1091295560.db2.gz HCTRDPKOBGGVGL-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205654543 1091298102 /nfs/dbraw/zinc/29/81/02/1091298102.db2.gz XCUWIBIDEFBLJB-MAUKXSAKSA-N 2 1 319.493 3.376 20 0 DGADMP CN(Cc1ccnn1-c1ccncc1)Cc1cc(F)cc(F)c1 ZINC001205655906 1091300201 /nfs/dbraw/zinc/30/02/01/1091300201.db2.gz GBKXXSFCLWBVLR-UHFFFAOYSA-N 2 1 314.339 3.178 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001205663272 1091305368 /nfs/dbraw/zinc/30/53/68/1091305368.db2.gz GWNYAWMLKYSWJI-FQEVSTJZSA-N 2 1 310.441 3.029 20 0 DGADMP CC(C)c1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1Cl ZINC001205725670 1091322045 /nfs/dbraw/zinc/32/20/45/1091322045.db2.gz JVIKWYALIGAGOJ-KRWDZBQOSA-N 2 1 310.869 3.139 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1Cl ZINC001205725670 1091322052 /nfs/dbraw/zinc/32/20/52/1091322052.db2.gz JVIKWYALIGAGOJ-KRWDZBQOSA-N 2 1 310.869 3.139 20 0 DGADMP COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772420 1091324831 /nfs/dbraw/zinc/32/48/31/1091324831.db2.gz LNHHGDDJUAGUTE-GOSISDBHSA-N 2 1 320.477 3.016 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC001205736040 1091326725 /nfs/dbraw/zinc/32/67/25/1091326725.db2.gz UDNNPYBEWGWIPE-ZDUSSCGKSA-N 2 1 322.321 3.164 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC001205736040 1091326730 /nfs/dbraw/zinc/32/67/30/1091326730.db2.gz UDNNPYBEWGWIPE-ZDUSSCGKSA-N 2 1 322.321 3.164 20 0 DGADMP COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205764789 1091338209 /nfs/dbraw/zinc/33/82/09/1091338209.db2.gz YVAVNWFKFHURHO-AWEZNQCLSA-N 2 1 320.383 3.264 20 0 DGADMP COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205764789 1091338220 /nfs/dbraw/zinc/33/82/20/1091338220.db2.gz YVAVNWFKFHURHO-AWEZNQCLSA-N 2 1 320.383 3.264 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2N2CCCCC2)CCC1(F)F ZINC001205772196 1091341632 /nfs/dbraw/zinc/34/16/32/1091341632.db2.gz ZHBYIFGYGBMYSL-MRXNPFEDSA-N 2 1 323.431 3.093 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCCC2)CCC1(F)F ZINC001205772196 1091341641 /nfs/dbraw/zinc/34/16/41/1091341641.db2.gz ZHBYIFGYGBMYSL-MRXNPFEDSA-N 2 1 323.431 3.093 20 0 DGADMP CC(C)N(Cc1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC001138907181 1091374607 /nfs/dbraw/zinc/37/46/07/1091374607.db2.gz ZEUQUMFVWHBOMO-UHFFFAOYSA-N 2 1 315.255 3.347 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c4cc[nH]c4ncc3Cl)C2)CC1 ZINC001138951573 1091388111 /nfs/dbraw/zinc/38/81/11/1091388111.db2.gz FPBQSYXAZQDJOL-UHFFFAOYSA-N 2 1 318.852 3.086 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CCCCC1 ZINC001205903868 1091402259 /nfs/dbraw/zinc/40/22/59/1091402259.db2.gz RKNHRPNVICRFBN-SJORKVTESA-N 2 1 301.478 3.236 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001205904651 1091402433 /nfs/dbraw/zinc/40/24/33/1091402433.db2.gz WELGKNIMMJJGRD-CABCVRRESA-N 2 1 301.409 3.176 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccn1-c1ccccc1F ZINC001205904651 1091402435 /nfs/dbraw/zinc/40/24/35/1091402435.db2.gz WELGKNIMMJJGRD-CABCVRRESA-N 2 1 301.409 3.176 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001205922708 1091414818 /nfs/dbraw/zinc/41/48/18/1091414818.db2.gz WWRCBWHWPQRSIC-UHFFFAOYSA-N 2 1 309.413 3.125 20 0 DGADMP F[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001205922938 1091416011 /nfs/dbraw/zinc/41/60/11/1091416011.db2.gz DVBHSDNWELNAIK-MRXNPFEDSA-N 2 1 301.409 3.069 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1C ZINC001205923145 1091416048 /nfs/dbraw/zinc/41/60/48/1091416048.db2.gz JPQKLDMTEXWOMH-DOTOQJQBSA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1C ZINC001205923145 1091416050 /nfs/dbraw/zinc/41/60/50/1091416050.db2.gz JPQKLDMTEXWOMH-DOTOQJQBSA-N 2 1 305.466 3.128 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC001205995449 1091441123 /nfs/dbraw/zinc/44/11/23/1091441123.db2.gz OGSHDAGAWFPGFB-GDBMZVCRSA-N 2 1 313.445 3.108 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccn2-c2ccccc2F)CCC[C@H]1C[NH3+] ZINC001205997015 1091442015 /nfs/dbraw/zinc/44/20/15/1091442015.db2.gz YRSLLNZNWXFFTB-CVEARBPZSA-N 2 1 315.436 3.423 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1CC ZINC001206002752 1091443516 /nfs/dbraw/zinc/44/35/16/1091443516.db2.gz AIZGPHVIQWJWNY-YJBOKZPZSA-N 2 1 304.478 3.455 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c2c1 ZINC001206004108 1091445445 /nfs/dbraw/zinc/44/54/45/1091445445.db2.gz QJUDYIAMSJEBBI-HUUCEWRRSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3cc(F)ccc3n2)CCC[C@H]1C[NH3+] ZINC001206003637 1091445527 /nfs/dbraw/zinc/44/55/27/1091445527.db2.gz KNPWPDKIUBZTHI-ZFWWWQNUSA-N 2 1 301.409 3.181 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012084 1091449746 /nfs/dbraw/zinc/44/97/46/1091449746.db2.gz ITARYGKPKRJSEI-YPMHNXCESA-N 2 1 314.832 3.295 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206012256 1091450284 /nfs/dbraw/zinc/45/02/84/1091450284.db2.gz JHXLHDYHHCNVKL-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206011554 1091450453 /nfs/dbraw/zinc/45/04/53/1091450453.db2.gz DQMLZBIVCKNKCQ-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206015027 1091451139 /nfs/dbraw/zinc/45/11/39/1091451139.db2.gz ZODZREBTEMFZCD-TZMCWYRMSA-N 2 1 312.404 3.170 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206014031 1091452265 /nfs/dbraw/zinc/45/22/65/1091452265.db2.gz VFXFCFMATGUSIQ-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(N3CCCC3)c2)CCC[C@@H]1C[NH3+] ZINC001206022458 1091455660 /nfs/dbraw/zinc/45/56/60/1091455660.db2.gz CEWKMABGMRWBOJ-FUHWJXTLSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206028322 1091457040 /nfs/dbraw/zinc/45/70/40/1091457040.db2.gz YGMRZQIGNBPGPT-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206028322 1091457046 /nfs/dbraw/zinc/45/70/46/1091457046.db2.gz YGMRZQIGNBPGPT-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP Cc1nc2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)ccc2s1 ZINC001206028908 1091458918 /nfs/dbraw/zinc/45/89/18/1091458918.db2.gz ZPMNSVCLDFKICJ-WFASDCNBSA-N 2 1 303.475 3.412 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccncc3)n2)CCC[C@@H]1C[NH3+] ZINC001206036501 1091462883 /nfs/dbraw/zinc/46/28/83/1091462883.db2.gz KIRQUOVXRHVXSZ-DZGCQCFKSA-N 2 1 316.474 3.012 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206036292 1091463158 /nfs/dbraw/zinc/46/31/58/1091463158.db2.gz HRNRDJUTDQXWQN-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1SC ZINC001206037118 1091463997 /nfs/dbraw/zinc/46/39/97/1091463997.db2.gz UUVKPTSXQGNUBQ-HIFRSBDPSA-N 2 1 308.491 3.224 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(OC(F)(F)F)c1 ZINC001206185242 1091524262 /nfs/dbraw/zinc/52/42/62/1091524262.db2.gz MEANBCDMMRTSLA-KBPBESRZSA-N 2 1 320.330 3.155 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)CC[C@@H]1F ZINC001206197873 1091530171 /nfs/dbraw/zinc/53/01/71/1091530171.db2.gz JPTSCRVYLBRPIB-GJZGRUSLSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)CC[C@@H]1F ZINC001206197873 1091530178 /nfs/dbraw/zinc/53/01/78/1091530178.db2.gz JPTSCRVYLBRPIB-GJZGRUSLSA-N 2 1 307.800 3.149 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cnc1-c1ccccc1 ZINC001206211041 1091538519 /nfs/dbraw/zinc/53/85/19/1091538519.db2.gz MKMDXZCMHWGYFQ-QZTJIDSGSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cnc1-c1ccccc1 ZINC001206211041 1091538526 /nfs/dbraw/zinc/53/85/26/1091538526.db2.gz MKMDXZCMHWGYFQ-QZTJIDSGSA-N 2 1 313.420 3.318 20 0 DGADMP C[NH+](C)CCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001206295928 1091564817 /nfs/dbraw/zinc/56/48/17/1091564817.db2.gz HRTAVZUVZZEWOI-REPLKXPHSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001206317512 1091575787 /nfs/dbraw/zinc/57/57/87/1091575787.db2.gz GMJUFFYZCFBUJR-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001206326551 1091581611 /nfs/dbraw/zinc/58/16/11/1091581611.db2.gz PCGHNYUVYGPQNQ-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001206327069 1091581812 /nfs/dbraw/zinc/58/18/12/1091581812.db2.gz RXVNXVVLHOBXMT-LJQANCHMSA-N 2 1 319.468 3.377 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OCC)C[C@@H]2C1 ZINC001139607139 1091619533 /nfs/dbraw/zinc/61/95/33/1091619533.db2.gz HMBSQERREYTLBK-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OCC)C[C@@H]2C1 ZINC001139607139 1091619538 /nfs/dbraw/zinc/61/95/38/1091619538.db2.gz HMBSQERREYTLBK-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3OCC)C[C@@H]2C1 ZINC001139607139 1091619542 /nfs/dbraw/zinc/61/95/42/1091619542.db2.gz HMBSQERREYTLBK-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3OCC)C[C@@H]2C1 ZINC001139607139 1091619546 /nfs/dbraw/zinc/61/95/46/1091619546.db2.gz HMBSQERREYTLBK-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3OCC)C[C@@H]2C1 ZINC001139607141 1091619824 /nfs/dbraw/zinc/61/98/24/1091619824.db2.gz HMBSQERREYTLBK-ROUUACIJSA-N 2 1 302.462 3.167 20 0 DGADMP CCC1(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)COC1 ZINC001202964050 1091652844 /nfs/dbraw/zinc/65/28/44/1091652844.db2.gz HHJLTTJYNCTAPD-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP CCC1(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)COC1 ZINC001202964050 1091652848 /nfs/dbraw/zinc/65/28/48/1091652848.db2.gz HHJLTTJYNCTAPD-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)n1 ZINC001206549806 1091665909 /nfs/dbraw/zinc/66/59/09/1091665909.db2.gz PYVWOFRLLMIFIW-SFHVURJKSA-N 2 1 305.466 3.210 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)n1 ZINC001206549806 1091665913 /nfs/dbraw/zinc/66/59/13/1091665913.db2.gz PYVWOFRLLMIFIW-SFHVURJKSA-N 2 1 305.466 3.210 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555346 1091666903 /nfs/dbraw/zinc/66/69/03/1091666903.db2.gz JIZAFHLSYDQQBR-IBGZPJMESA-N 2 1 312.461 3.132 20 0 DGADMP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555373 1091667566 /nfs/dbraw/zinc/66/75/66/1091667566.db2.gz JYHFBIZPVIJABA-LJQANCHMSA-N 2 1 312.461 3.038 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206581064 1091676429 /nfs/dbraw/zinc/67/64/29/1091676429.db2.gz HUJQUSHUDLIROB-ZDUSSCGKSA-N 2 1 300.368 3.456 20 0 DGADMP COc1ccccc1CCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206579874 1091676797 /nfs/dbraw/zinc/67/67/97/1091676797.db2.gz ALRCKXRISPYZLV-GOSISDBHSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206588932 1091679366 /nfs/dbraw/zinc/67/93/66/1091679366.db2.gz DKCIKXLCXAKIFN-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206588932 1091679369 /nfs/dbraw/zinc/67/93/69/1091679369.db2.gz DKCIKXLCXAKIFN-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206588558 1091679562 /nfs/dbraw/zinc/67/95/62/1091679562.db2.gz BIKGFXKIRNYECU-MRXNPFEDSA-N 2 1 320.477 3.365 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206588558 1091679566 /nfs/dbraw/zinc/67/95/66/1091679566.db2.gz BIKGFXKIRNYECU-MRXNPFEDSA-N 2 1 320.477 3.365 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC001206591007 1091680786 /nfs/dbraw/zinc/68/07/86/1091680786.db2.gz OZJXGWDFMNVSLZ-KRWDZBQOSA-N 2 1 318.461 3.200 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cn1 ZINC001206591839 1091681531 /nfs/dbraw/zinc/68/15/31/1091681531.db2.gz WPZUITNODQVXRM-KRWDZBQOSA-N 2 1 305.466 3.221 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCN2)[C@H]1CCC[NH2+]CC1 ZINC001206599667 1091683915 /nfs/dbraw/zinc/68/39/15/1091683915.db2.gz VCGAHGMYJQSGMJ-SFHVURJKSA-N 2 1 301.478 3.397 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206640363 1091696742 /nfs/dbraw/zinc/69/67/42/1091696742.db2.gz JFDIQBQDXKVPOI-CYBMUJFWSA-N 2 1 317.458 3.077 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206640363 1091696749 /nfs/dbraw/zinc/69/67/49/1091696749.db2.gz JFDIQBQDXKVPOI-CYBMUJFWSA-N 2 1 317.458 3.077 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCc1cccc(Br)c1 ZINC001206760948 1091728948 /nfs/dbraw/zinc/72/89/48/1091728948.db2.gz PAVWGHNWMUZSBP-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1cccc(Br)c1 ZINC001206760948 1091728954 /nfs/dbraw/zinc/72/89/54/1091728954.db2.gz PAVWGHNWMUZSBP-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206767423 1091729945 /nfs/dbraw/zinc/72/99/45/1091729945.db2.gz BDVDQEBEVRDEFA-HUUCEWRRSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206767423 1091729957 /nfs/dbraw/zinc/72/99/57/1091729957.db2.gz BDVDQEBEVRDEFA-HUUCEWRRSA-N 2 1 306.450 3.042 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770663 1091734270 /nfs/dbraw/zinc/73/42/70/1091734270.db2.gz SZYPBXPMGVAVJM-OLZOCXBDSA-N 2 1 316.367 3.453 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3-c3cncnc3)C2)CC1 ZINC001140022888 1091741065 /nfs/dbraw/zinc/74/10/65/1091741065.db2.gz YQEZFBJDWWSUKO-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001140028401 1091744145 /nfs/dbraw/zinc/74/41/45/1091744145.db2.gz VCNWYWNILXRPJC-LJQANCHMSA-N 2 1 319.412 3.308 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001140028401 1091744152 /nfs/dbraw/zinc/74/41/52/1091744152.db2.gz VCNWYWNILXRPJC-LJQANCHMSA-N 2 1 319.412 3.308 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCc1ccncc1 ZINC001140028336 1091744177 /nfs/dbraw/zinc/74/41/77/1091744177.db2.gz RLDJCYIKTQGSEO-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCc1ccncc1 ZINC001140028336 1091744181 /nfs/dbraw/zinc/74/41/81/1091744181.db2.gz RLDJCYIKTQGSEO-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001140028792 1091744767 /nfs/dbraw/zinc/74/47/67/1091744767.db2.gz BNDWSRSTFILPRZ-INIZCTEOSA-N 2 1 312.461 3.095 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001140028792 1091744773 /nfs/dbraw/zinc/74/47/73/1091744773.db2.gz BNDWSRSTFILPRZ-INIZCTEOSA-N 2 1 312.461 3.095 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1C ZINC001140162376 1091788548 /nfs/dbraw/zinc/78/85/48/1091788548.db2.gz SKRDJJRKBUBDEX-KRWDZBQOSA-N 2 1 312.413 3.360 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1C ZINC001140162376 1091788552 /nfs/dbraw/zinc/78/85/52/1091788552.db2.gz SKRDJJRKBUBDEX-KRWDZBQOSA-N 2 1 312.413 3.360 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140171028 1091790253 /nfs/dbraw/zinc/79/02/53/1091790253.db2.gz FAEWAUMXLCCHGC-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140171028 1091790262 /nfs/dbraw/zinc/79/02/62/1091790262.db2.gz FAEWAUMXLCCHGC-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140171028 1091790270 /nfs/dbraw/zinc/79/02/70/1091790270.db2.gz FAEWAUMXLCCHGC-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[C@@H](CC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1)CC(C)(C)C ZINC001276503687 1091826050 /nfs/dbraw/zinc/82/60/50/1091826050.db2.gz HVHKTFHWNMHDIQ-SFHVURJKSA-N 2 1 323.569 3.408 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)c2c1 ZINC001140330732 1091829514 /nfs/dbraw/zinc/82/95/14/1091829514.db2.gz HWSZONCFURZFEX-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP Cc1ccc2[nH]nc(C[N@@H+](C)CC3CC[NH+](C(C)C)CC3)c2c1 ZINC001140330732 1091829519 /nfs/dbraw/zinc/82/95/19/1091829519.db2.gz HWSZONCFURZFEX-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP Cc1ccc2[nH]nc(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)c2c1 ZINC001140330732 1091829523 /nfs/dbraw/zinc/82/95/23/1091829523.db2.gz HWSZONCFURZFEX-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1[nH+]cc2ccccn21 ZINC001207057298 1091832339 /nfs/dbraw/zinc/83/23/39/1091832339.db2.gz MYQCNXTWYPZGQX-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1[nH+]cc2ccccn21 ZINC001207057298 1091832344 /nfs/dbraw/zinc/83/23/44/1091832344.db2.gz MYQCNXTWYPZGQX-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207199829 1091886941 /nfs/dbraw/zinc/88/69/41/1091886941.db2.gz WKPUMOBTHBFSDO-LISAXSMJSA-N 2 1 304.865 3.327 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207199829 1091886952 /nfs/dbraw/zinc/88/69/52/1091886952.db2.gz WKPUMOBTHBFSDO-LISAXSMJSA-N 2 1 304.865 3.327 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207199829 1091886959 /nfs/dbraw/zinc/88/69/59/1091886959.db2.gz WKPUMOBTHBFSDO-LISAXSMJSA-N 2 1 304.865 3.327 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199816 1091887222 /nfs/dbraw/zinc/88/72/22/1091887222.db2.gz WJBGTBRAQFJKLP-NXHRZFHOSA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199816 1091887229 /nfs/dbraw/zinc/88/72/29/1091887229.db2.gz WJBGTBRAQFJKLP-NXHRZFHOSA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199816 1091887235 /nfs/dbraw/zinc/88/72/35/1091887235.db2.gz WJBGTBRAQFJKLP-NXHRZFHOSA-N 2 1 304.865 3.471 20 0 DGADMP CC1=CC[C@@H](CC[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1(C)C ZINC001207270796 1091904106 /nfs/dbraw/zinc/90/41/06/1091904106.db2.gz BSMDEJXCILORBI-INIZCTEOSA-N 2 1 319.493 3.499 20 0 DGADMP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)CC(C)(C)C[NH+](C)C ZINC001207283156 1091910562 /nfs/dbraw/zinc/91/05/62/1091910562.db2.gz UFNJBBZVNHPBEX-INIZCTEOSA-N 2 1 322.493 3.120 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)CC(C)(C)C[NH+](C)C ZINC001207283156 1091910570 /nfs/dbraw/zinc/91/05/70/1091910570.db2.gz UFNJBBZVNHPBEX-INIZCTEOSA-N 2 1 322.493 3.120 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCc4ccncc4C3)CC2)cc1 ZINC001207292741 1091914103 /nfs/dbraw/zinc/91/41/03/1091914103.db2.gz YJXKUQXQGRLPSV-UHFFFAOYSA-N 2 1 321.468 3.352 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001207292109 1091914398 /nfs/dbraw/zinc/91/43/98/1091914398.db2.gz JMTOOZYSEUSNSC-WOJBJXKFSA-N 2 1 314.473 3.009 20 0 DGADMP CC/C=C\CC[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276525421 1091931664 /nfs/dbraw/zinc/93/16/64/1091931664.db2.gz IGYSABPXIXYMQI-VOFKWLDRSA-N 2 1 307.526 3.082 20 0 DGADMP FC1(F)C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1Cc1ccccc1 ZINC001207442374 1091969140 /nfs/dbraw/zinc/96/91/40/1091969140.db2.gz YXDNFAJFZAPGBU-QGZVFWFLSA-N 2 1 308.416 3.186 20 0 DGADMP FC1(F)C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1Cc1ccccc1 ZINC001207442374 1091969147 /nfs/dbraw/zinc/96/91/47/1091969147.db2.gz YXDNFAJFZAPGBU-QGZVFWFLSA-N 2 1 308.416 3.186 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207468610 1091976812 /nfs/dbraw/zinc/97/68/12/1091976812.db2.gz CJUXFFIXEGDSFC-QGZVFWFLSA-N 2 1 320.452 3.149 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207468610 1091976824 /nfs/dbraw/zinc/97/68/24/1091976824.db2.gz CJUXFFIXEGDSFC-QGZVFWFLSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCOC2)CC1 ZINC001207468283 1091976955 /nfs/dbraw/zinc/97/69/55/1091976955.db2.gz DACLPACBBOOLJG-KRWDZBQOSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCOC2)CC1 ZINC001207468283 1091976978 /nfs/dbraw/zinc/97/69/78/1091976978.db2.gz DACLPACBBOOLJG-KRWDZBQOSA-N 2 1 320.452 3.149 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccc(OC)cc2)CC1 ZINC001207478514 1091982196 /nfs/dbraw/zinc/98/21/96/1091982196.db2.gz KKIZNOHUDLBYIX-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP Cc1cccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140802076 1092005206 /nfs/dbraw/zinc/00/52/06/1092005206.db2.gz MWDJAYAHNIETCR-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@H+](Cc3cnc4cc[nH]cc3-4)C2)cc1 ZINC001140802624 1092007876 /nfs/dbraw/zinc/00/78/76/1092007876.db2.gz BGCHPWUKOJZUOL-INIZCTEOSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cnc4cc[nH]cc3-4)C2)cc1 ZINC001140802624 1092007884 /nfs/dbraw/zinc/00/78/84/1092007884.db2.gz BGCHPWUKOJZUOL-INIZCTEOSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140802624 1092007897 /nfs/dbraw/zinc/00/78/97/1092007897.db2.gz BGCHPWUKOJZUOL-INIZCTEOSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140802624 1092007906 /nfs/dbraw/zinc/00/79/06/1092007906.db2.gz BGCHPWUKOJZUOL-INIZCTEOSA-N 2 1 311.360 3.355 20 0 DGADMP COC(=O)CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140803502 1092010530 /nfs/dbraw/zinc/01/05/30/1092010530.db2.gz QVTPSAMRKSPHGZ-UHFFFAOYSA-N 2 1 323.396 3.128 20 0 DGADMP COC(=O)CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140803502 1092010540 /nfs/dbraw/zinc/01/05/40/1092010540.db2.gz QVTPSAMRKSPHGZ-UHFFFAOYSA-N 2 1 323.396 3.128 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC001207739029 1092085026 /nfs/dbraw/zinc/08/50/26/1092085026.db2.gz VIAGBHCIKWWGMJ-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC001207739029 1092085036 /nfs/dbraw/zinc/08/50/36/1092085036.db2.gz VIAGBHCIKWWGMJ-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]n1 ZINC001203083361 1092087894 /nfs/dbraw/zinc/08/78/94/1092087894.db2.gz JQXXKWYNZIOFRP-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]n1 ZINC001203083361 1092087904 /nfs/dbraw/zinc/08/79/04/1092087904.db2.gz JQXXKWYNZIOFRP-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]n1 ZINC001203083361 1092087916 /nfs/dbraw/zinc/08/79/16/1092087916.db2.gz JQXXKWYNZIOFRP-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083361 1092087926 /nfs/dbraw/zinc/08/79/26/1092087926.db2.gz JQXXKWYNZIOFRP-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083361 1092087935 /nfs/dbraw/zinc/08/79/35/1092087935.db2.gz JQXXKWYNZIOFRP-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083361 1092087946 /nfs/dbraw/zinc/08/79/46/1092087946.db2.gz JQXXKWYNZIOFRP-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n[nH]1 ZINC001203083361 1092087956 /nfs/dbraw/zinc/08/79/56/1092087956.db2.gz JQXXKWYNZIOFRP-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC001207837627 1092112805 /nfs/dbraw/zinc/11/28/05/1092112805.db2.gz QYCYNKUUAVQVAU-YTQUADARSA-N 2 1 300.490 3.456 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCCCCOc3ccccc3)[C@H]2C1 ZINC001207838421 1092113783 /nfs/dbraw/zinc/11/37/83/1092113783.db2.gz YBNZYLYHDWNXAB-YTQUADARSA-N 2 1 302.462 3.166 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1)c1ccccc1 ZINC001207904222 1092134462 /nfs/dbraw/zinc/13/44/62/1092134462.db2.gz WCSBKFVZXWHRMQ-UIFIKXQLSA-N 2 1 321.468 3.249 20 0 DGADMP CN(Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962201 1092160491 /nfs/dbraw/zinc/16/04/91/1092160491.db2.gz IVXXNJPVXAZTII-IBGZPJMESA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+](Cc2cccnc2)Cc2ccccn2)CC1 ZINC001208107686 1092198314 /nfs/dbraw/zinc/19/83/14/1092198314.db2.gz YJIYHCOYJBCHSE-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP C[NH+]1CCC(C)(C[N@@H+](Cc2cccnc2)Cc2ccccn2)CC1 ZINC001208107686 1092198321 /nfs/dbraw/zinc/19/83/21/1092198321.db2.gz YJIYHCOYJBCHSE-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001208113724 1092203340 /nfs/dbraw/zinc/20/33/40/1092203340.db2.gz MDBZPEKYYRWXRY-QGZVFWFLSA-N 2 1 319.518 3.370 20 0 DGADMP CC/C=C\CCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001208136986 1092212162 /nfs/dbraw/zinc/21/21/62/1092212162.db2.gz DGUQBGXQUVGCIT-CHYADLBTSA-N 2 1 322.493 3.082 20 0 DGADMP Cc1c[nH+]c(NC2CC[NH+](CC3CCOCC3)CC2)c(C)c1 ZINC001161211520 1092236067 /nfs/dbraw/zinc/23/60/67/1092236067.db2.gz BWJVHRYDCLYIAC-UHFFFAOYSA-N 2 1 303.450 3.001 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208187348 1092247533 /nfs/dbraw/zinc/24/75/33/1092247533.db2.gz JFXMEQWNJDYHEP-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@H]1CN(CC2(C[NH+](C)C)CCCC2)CC[N@H+]1C1CCCCC1 ZINC001208189871 1092251152 /nfs/dbraw/zinc/25/11/52/1092251152.db2.gz ZZDGFVAYFIXXKO-SFHVURJKSA-N 2 1 321.553 3.447 20 0 DGADMP COc1ccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)cc1OC ZINC001208192297 1092254486 /nfs/dbraw/zinc/25/44/86/1092254486.db2.gz SSXAUENRPNHQQR-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)cc1OC ZINC001208192297 1092254494 /nfs/dbraw/zinc/25/44/94/1092254494.db2.gz SSXAUENRPNHQQR-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001141590374 1092286163 /nfs/dbraw/zinc/28/61/63/1092286163.db2.gz FTXNISSWCPESPZ-CXAGYDPISA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001141590374 1092286171 /nfs/dbraw/zinc/28/61/71/1092286171.db2.gz FTXNISSWCPESPZ-CXAGYDPISA-N 2 1 303.837 3.205 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208278811 1092297852 /nfs/dbraw/zinc/29/78/52/1092297852.db2.gz BIVAZAFWIBLMSM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453084 1092356964 /nfs/dbraw/zinc/35/69/64/1092356964.db2.gz AHGPPKVPFOZUGN-FVNWOWOISA-N 2 1 323.525 3.044 20 0 DGADMP CSc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)s1 ZINC001142031203 1092393789 /nfs/dbraw/zinc/39/37/89/1092393789.db2.gz CBWSHXZWONJZRJ-UHFFFAOYSA-N 2 1 319.499 3.496 20 0 DGADMP C[C@@H]1C[N@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001205993691 1092395381 /nfs/dbraw/zinc/39/53/81/1092395381.db2.gz IJLMYMCQCHTETR-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001205993691 1092395389 /nfs/dbraw/zinc/39/53/89/1092395389.db2.gz IJLMYMCQCHTETR-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC001208592398 1092416492 /nfs/dbraw/zinc/41/64/92/1092416492.db2.gz VEZSNUNMPKGBAC-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1(C)C ZINC001208592398 1092416497 /nfs/dbraw/zinc/41/64/97/1092416497.db2.gz VEZSNUNMPKGBAC-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208602365 1092421412 /nfs/dbraw/zinc/42/14/12/1092421412.db2.gz DBEJHPNFTCTNAI-AWEZNQCLSA-N 2 1 316.371 3.075 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208602365 1092421425 /nfs/dbraw/zinc/42/14/25/1092421425.db2.gz DBEJHPNFTCTNAI-AWEZNQCLSA-N 2 1 316.371 3.075 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001208601707 1092421726 /nfs/dbraw/zinc/42/17/26/1092421726.db2.gz RKFPYIYTBKFJMG-OALUTQOASA-N 3 1 307.526 3.057 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001208601707 1092421734 /nfs/dbraw/zinc/42/17/34/1092421734.db2.gz RKFPYIYTBKFJMG-OALUTQOASA-N 3 1 307.526 3.057 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001208601707 1092421742 /nfs/dbraw/zinc/42/17/42/1092421742.db2.gz RKFPYIYTBKFJMG-OALUTQOASA-N 3 1 307.526 3.057 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001208602469 1092422470 /nfs/dbraw/zinc/42/24/70/1092422470.db2.gz FJOKMXMVNQPLBB-UHFFFAOYSA-N 2 1 319.468 3.070 20 0 DGADMP COc1ccccc1CC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208607043 1092424978 /nfs/dbraw/zinc/42/49/78/1092424978.db2.gz IAVFWHHFOVZRHW-GOSISDBHSA-N 2 1 316.489 3.292 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001169092844 1092524470 /nfs/dbraw/zinc/52/44/70/1092524470.db2.gz CYMVIOFWGFPADW-ZSOGYDGISA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001169092844 1092524485 /nfs/dbraw/zinc/52/44/85/1092524485.db2.gz CYMVIOFWGFPADW-ZSOGYDGISA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001208830908 1092534524 /nfs/dbraw/zinc/53/45/24/1092534524.db2.gz HUCZOYCVXWHPDT-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001208830908 1092534538 /nfs/dbraw/zinc/53/45/38/1092534538.db2.gz HUCZOYCVXWHPDT-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001208830908 1092534550 /nfs/dbraw/zinc/53/45/50/1092534550.db2.gz HUCZOYCVXWHPDT-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP CCN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC001169079701 1092535379 /nfs/dbraw/zinc/53/53/79/1092535379.db2.gz KNMUXTGOISNAKL-BCDXTJNWSA-N 2 1 301.478 3.036 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccccc1Br)C2 ZINC001169092411 1092540421 /nfs/dbraw/zinc/54/04/21/1092540421.db2.gz BVKCIDXZYHKRGP-QKDCVEJESA-N 2 1 323.278 3.206 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3F)CC1)C2 ZINC001169118073 1092542743 /nfs/dbraw/zinc/54/27/43/1092542743.db2.gz DEPVFEUFANENGU-BJWYYQGGSA-N 2 1 302.437 3.363 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169123127 1092543994 /nfs/dbraw/zinc/54/39/94/1092543994.db2.gz JDTYNRIGBCSBOV-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169123127 1092544000 /nfs/dbraw/zinc/54/40/00/1092544000.db2.gz JDTYNRIGBCSBOV-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001169108349 1092553274 /nfs/dbraw/zinc/55/32/74/1092553274.db2.gz RSJXDWKXYRFKET-CAOSSQGBSA-N 2 1 309.457 3.255 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(Cl)cc3C1)C2 ZINC001169108199 1092554740 /nfs/dbraw/zinc/55/47/40/1092554740.db2.gz PGDJEXPSEQAMIP-XLAORIBOSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccccc3)C1)C2 ZINC001169140780 1092556478 /nfs/dbraw/zinc/55/64/78/1092556478.db2.gz LYOIACGKWXNYBO-ZMMAXQRCSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccccc3)C1)C2 ZINC001169140780 1092556494 /nfs/dbraw/zinc/55/64/94/1092556494.db2.gz LYOIACGKWXNYBO-ZMMAXQRCSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3ccccc3)C1)C2 ZINC001169140780 1092556497 /nfs/dbraw/zinc/55/64/97/1092556497.db2.gz LYOIACGKWXNYBO-ZMMAXQRCSA-N 2 1 300.446 3.155 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169148839 1092563716 /nfs/dbraw/zinc/56/37/16/1092563716.db2.gz ZZOZHHJOXLTDNP-SFNKJDCFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169148839 1092563723 /nfs/dbraw/zinc/56/37/23/1092563723.db2.gz ZZOZHHJOXLTDNP-SFNKJDCFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169148839 1092563730 /nfs/dbraw/zinc/56/37/30/1092563730.db2.gz ZZOZHHJOXLTDNP-SFNKJDCFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169154975 1092566452 /nfs/dbraw/zinc/56/64/52/1092566452.db2.gz VIACZHMFYWIGDJ-BDXSIMOUSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169154975 1092566458 /nfs/dbraw/zinc/56/64/58/1092566458.db2.gz VIACZHMFYWIGDJ-BDXSIMOUSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169154975 1092566469 /nfs/dbraw/zinc/56/64/69/1092566469.db2.gz VIACZHMFYWIGDJ-BDXSIMOUSA-N 2 1 300.446 3.110 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C3CC[NH2+]CC3)c3ccccc31)C2 ZINC001169152338 1092567716 /nfs/dbraw/zinc/56/77/16/1092567716.db2.gz BAIFYMMNOXIAMU-FVQHAEBGSA-N 2 1 324.472 3.301 20 0 DGADMP CCOC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208935834 1092596721 /nfs/dbraw/zinc/59/67/21/1092596721.db2.gz MFFHFUBTZUWSDE-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC001208934748 1092597474 /nfs/dbraw/zinc/59/74/74/1092597474.db2.gz GKGMVQCGYMFQJZ-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC001208934748 1092597483 /nfs/dbraw/zinc/59/74/83/1092597483.db2.gz GKGMVQCGYMFQJZ-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC001208934748 1092597493 /nfs/dbraw/zinc/59/74/93/1092597493.db2.gz GKGMVQCGYMFQJZ-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC001208934751 1092597976 /nfs/dbraw/zinc/59/79/76/1092597976.db2.gz GKGMVQCGYMFQJZ-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC001208934751 1092597981 /nfs/dbraw/zinc/59/79/81/1092597981.db2.gz GKGMVQCGYMFQJZ-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC001208934751 1092597985 /nfs/dbraw/zinc/59/79/85/1092597985.db2.gz GKGMVQCGYMFQJZ-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@]1(O)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208932381 1092598023 /nfs/dbraw/zinc/59/80/23/1092598023.db2.gz PLPHEFXHROETRK-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208932381 1092598039 /nfs/dbraw/zinc/59/80/39/1092598039.db2.gz PLPHEFXHROETRK-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932381 1092598043 /nfs/dbraw/zinc/59/80/43/1092598043.db2.gz PLPHEFXHROETRK-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208940037 1092604014 /nfs/dbraw/zinc/60/40/14/1092604014.db2.gz NWNHPURUYRGAIT-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940037 1092604016 /nfs/dbraw/zinc/60/40/16/1092604016.db2.gz NWNHPURUYRGAIT-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940037 1092604018 /nfs/dbraw/zinc/60/40/18/1092604018.db2.gz NWNHPURUYRGAIT-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948087 1092604856 /nfs/dbraw/zinc/60/48/56/1092604856.db2.gz DVZZGGFEHUUKDI-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948087 1092604863 /nfs/dbraw/zinc/60/48/63/1092604863.db2.gz DVZZGGFEHUUKDI-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CSC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947811 1092606139 /nfs/dbraw/zinc/60/61/39/1092606139.db2.gz DEKAEMLABHZGRP-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP COC1(C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948479 1092606267 /nfs/dbraw/zinc/60/62/67/1092606267.db2.gz QRQTXAZCHIASLG-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208954000 1092608849 /nfs/dbraw/zinc/60/88/49/1092608849.db2.gz RZPQSSZEALIJQO-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208954000 1092608853 /nfs/dbraw/zinc/60/88/53/1092608853.db2.gz RZPQSSZEALIJQO-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954000 1092608856 /nfs/dbraw/zinc/60/88/56/1092608856.db2.gz RZPQSSZEALIJQO-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP FC(F)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948775 1092609471 /nfs/dbraw/zinc/60/94/71/1092609471.db2.gz IHDNSWSEMOTKLS-IRXDYDNUSA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948775 1092609473 /nfs/dbraw/zinc/60/94/73/1092609473.db2.gz IHDNSWSEMOTKLS-IRXDYDNUSA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948775 1092609479 /nfs/dbraw/zinc/60/94/79/1092609479.db2.gz IHDNSWSEMOTKLS-IRXDYDNUSA-N 2 1 308.416 3.486 20 0 DGADMP FC1(F)C[C@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208950622 1092609747 /nfs/dbraw/zinc/60/97/47/1092609747.db2.gz VYDYUDLKZKEHCH-SJORKVTESA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208950622 1092609750 /nfs/dbraw/zinc/60/97/50/1092609750.db2.gz VYDYUDLKZKEHCH-SJORKVTESA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208950622 1092609753 /nfs/dbraw/zinc/60/97/53/1092609753.db2.gz VYDYUDLKZKEHCH-SJORKVTESA-N 2 1 306.400 3.240 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001169266593 1092610388 /nfs/dbraw/zinc/61/03/88/1092610388.db2.gz XDHYYRZIBBCMEE-UHFFFAOYSA-N 2 1 312.461 3.158 20 0 DGADMP CCc1cc2c(cc1CC)CC([NH2+]C1CC[NH+](CC)CC1)C2 ZINC001169240135 1092612247 /nfs/dbraw/zinc/61/22/47/1092612247.db2.gz FSXDNJBEECPJAM-UHFFFAOYSA-N 2 1 300.490 3.353 20 0 DGADMP CN1CCC([N@H+](C)Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001143257189 1092644200 /nfs/dbraw/zinc/64/42/00/1092644200.db2.gz QJRMZAWEXUCBEB-UHFFFAOYSA-N 2 1 320.330 3.250 20 0 DGADMP CN1CCC([N@@H+](C)Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001143257189 1092644204 /nfs/dbraw/zinc/64/42/04/1092644204.db2.gz QJRMZAWEXUCBEB-UHFFFAOYSA-N 2 1 320.330 3.250 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCCc1cccnc1 ZINC001209182294 1092684505 /nfs/dbraw/zinc/68/45/05/1092684505.db2.gz ZLKWOBYQPTZMRQ-OALUTQOASA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCc1cccnc1 ZINC001209182294 1092684508 /nfs/dbraw/zinc/68/45/08/1092684508.db2.gz ZLKWOBYQPTZMRQ-OALUTQOASA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCc1cccnc1 ZINC001209182294 1092684511 /nfs/dbraw/zinc/68/45/11/1092684511.db2.gz ZLKWOBYQPTZMRQ-OALUTQOASA-N 2 1 301.478 3.353 20 0 DGADMP c1csc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001209221675 1092700001 /nfs/dbraw/zinc/70/00/01/1092700001.db2.gz DWINCBWLHOULEQ-HUUCEWRRSA-N 2 1 318.511 3.416 20 0 DGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC001209413341 1092764542 /nfs/dbraw/zinc/76/45/42/1092764542.db2.gz KFNGXCCRMGNRGA-WMLDXEAASA-N 2 1 317.477 3.378 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448980 1092778419 /nfs/dbraw/zinc/77/84/19/1092778419.db2.gz OHBMQRQPQRYESW-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448980 1092778428 /nfs/dbraw/zinc/77/84/28/1092778428.db2.gz OHBMQRQPQRYESW-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449266 1092778521 /nfs/dbraw/zinc/77/85/21/1092778521.db2.gz VYLCJQCSPCDOHH-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449266 1092778528 /nfs/dbraw/zinc/77/85/28/1092778528.db2.gz VYLCJQCSPCDOHH-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP CN1CCC([N@@H+](CCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC001209454329 1092781022 /nfs/dbraw/zinc/78/10/22/1092781022.db2.gz PMXDJSFHRCTFFS-UHFFFAOYSA-N 2 1 307.526 3.201 20 0 DGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)C1(C)C ZINC001276653953 1092834881 /nfs/dbraw/zinc/83/48/81/1092834881.db2.gz YNJFZMPUMTXBCG-QRVBRYPASA-N 2 1 319.537 3.079 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccnc3c(Cl)cccc23)C1 ZINC001206640753 1092888808 /nfs/dbraw/zinc/88/88/08/1092888808.db2.gz MVEDRWSIDMYWGZ-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc21 ZINC001206640720 1092889621 /nfs/dbraw/zinc/88/96/21/1092889621.db2.gz LVJHVISUGNWGMP-KRWDZBQOSA-N 3 1 313.489 3.249 20 0 DGADMP Cc1cccn2cc(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)nc12 ZINC001209739937 1092897418 /nfs/dbraw/zinc/89/74/18/1092897418.db2.gz WSZJCKCHHUKCIA-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209953839 1092993305 /nfs/dbraw/zinc/99/33/05/1092993305.db2.gz VMUAXSUYLUTYMB-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)C1 ZINC001276677186 1093028657 /nfs/dbraw/zinc/02/86/57/1093028657.db2.gz RPDHTKNLGAONJU-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210583985 1093218960 /nfs/dbraw/zinc/21/89/60/1093218960.db2.gz BOCJZGILMSPCIY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723086 1093989664 /nfs/dbraw/zinc/98/96/64/1093989664.db2.gz CHMCZIPJYVAOJE-HXUWFJFHSA-N 2 1 324.472 3.385 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723086 1093989666 /nfs/dbraw/zinc/98/96/66/1093989666.db2.gz CHMCZIPJYVAOJE-HXUWFJFHSA-N 2 1 324.472 3.385 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723086 1093989668 /nfs/dbraw/zinc/98/96/68/1093989668.db2.gz CHMCZIPJYVAOJE-HXUWFJFHSA-N 2 1 324.472 3.385 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723086 1093989671 /nfs/dbraw/zinc/98/96/71/1093989671.db2.gz CHMCZIPJYVAOJE-HXUWFJFHSA-N 2 1 324.472 3.385 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276725801 1094023813 /nfs/dbraw/zinc/02/38/13/1094023813.db2.gz FOVXBVMFQZZNIY-IBGZPJMESA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276725801 1094023819 /nfs/dbraw/zinc/02/38/19/1094023819.db2.gz FOVXBVMFQZZNIY-IBGZPJMESA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276725801 1094023824 /nfs/dbraw/zinc/02/38/24/1094023824.db2.gz FOVXBVMFQZZNIY-IBGZPJMESA-N 2 1 301.478 3.060 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1 ZINC000404386226 1094256144 /nfs/dbraw/zinc/25/61/44/1094256144.db2.gz WFJIRFCWLWYVOJ-YOEHRIQHSA-N 2 1 314.429 3.051 20 0 DGADMP COc1ccc2[nH+]ccc(N(C)CCCn3cc[nH+]c3C)c2c1 ZINC001119949011 1094319419 /nfs/dbraw/zinc/31/94/19/1094319419.db2.gz WVGDQOQXNCFMCX-UHFFFAOYSA-N 2 1 310.401 3.275 20 0 DGADMP COc1ccc2[nH+]ccc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC001119958746 1094321694 /nfs/dbraw/zinc/32/16/94/1094321694.db2.gz JFCCCDKPSSVAKE-IBGZPJMESA-N 2 1 311.429 3.166 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc(C)c1O ZINC001119989935 1094337395 /nfs/dbraw/zinc/33/73/95/1094337395.db2.gz UANDCMLOUZFFTI-BZSNNMDCSA-N 2 1 302.462 3.171 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC001120072318 1094371133 /nfs/dbraw/zinc/37/11/33/1094371133.db2.gz UAJDMNUVRVYILN-CEXWTWQISA-N 2 1 309.457 3.397 20 0 DGADMP O=C(c1cccs1)C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC001120361831 1094414310 /nfs/dbraw/zinc/41/43/10/1094414310.db2.gz DXSHJPZSEGTMIN-CQSZACIVSA-N 2 1 306.475 3.033 20 0 DGADMP [NH3+]CCC[C@H]([NH3+])c1nnc(-c2ccc(Oc3ccccc3)cc2)o1 ZINC001217696614 1094474615 /nfs/dbraw/zinc/47/46/15/1094474615.db2.gz QLGQBXYNBFDKIB-INIZCTEOSA-N 2 1 324.384 3.268 20 0 DGADMP F[C@@H]1CCC[NH2+]C[C@H]1OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217775646 1094493684 /nfs/dbraw/zinc/49/36/84/1094493684.db2.gz WIRFTDYWMDSCQJ-GUDVDZBRSA-N 2 1 320.452 3.005 20 0 DGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OCCC3C[NH2+]C3)C2)cc1 ZINC001217827457 1094501432 /nfs/dbraw/zinc/50/14/32/1094501432.db2.gz MIBSSNIXRFPLBE-UHFFFAOYSA-N 2 1 322.452 3.086 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](OC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001217886795 1094511191 /nfs/dbraw/zinc/51/11/91/1094511191.db2.gz WKKUAFBLGREZRV-HAGHYFMRSA-N 2 1 314.473 3.198 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@H]3C[NH2+]CCC34CC4)C2)cc1 ZINC001217912775 1094515406 /nfs/dbraw/zinc/51/54/06/1094515406.db2.gz KIKWJAIZPFXCSL-MOPGFXCFSA-N 2 1 314.473 3.057 20 0 DGADMP CC1(CO[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC[NH2+]CC1 ZINC001217908454 1094515528 /nfs/dbraw/zinc/51/55/28/1094515528.db2.gz GKNGIJKSCFYSAE-QGZVFWFLSA-N 2 1 320.452 3.196 20 0 DGADMP Cc1ccc(N2CCC[C@@H](OCCCC3CC[NH2+]CC3)C2)[nH+]c1 ZINC001217911191 1094515906 /nfs/dbraw/zinc/51/59/06/1094515906.db2.gz NHFRIURIFSMSOZ-GOSISDBHSA-N 2 1 317.477 3.155 20 0 DGADMP Cc1cc(Cl)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)n1 ZINC001276766341 1094551381 /nfs/dbraw/zinc/55/13/81/1094551381.db2.gz DOWRWENYEDTLNP-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1cc(Cl)cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)n1 ZINC001276766341 1094551388 /nfs/dbraw/zinc/55/13/88/1094551388.db2.gz DOWRWENYEDTLNP-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@H]4CCCOCC4)C[C@H]3C2)cc1 ZINC001170833200 1094604236 /nfs/dbraw/zinc/60/42/36/1094604236.db2.gz GDXNWVWWDDCHMX-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@H]4CCCOCC4)C[C@H]3C2)cc1 ZINC001170833200 1094604247 /nfs/dbraw/zinc/60/42/47/1094604247.db2.gz GDXNWVWWDDCHMX-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@H]4CCCOCC4)C[C@H]3C2)cc1 ZINC001170833200 1094604257 /nfs/dbraw/zinc/60/42/57/1094604257.db2.gz GDXNWVWWDDCHMX-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC001170833197 1094604374 /nfs/dbraw/zinc/60/43/74/1094604374.db2.gz GDXNWVWWDDCHMX-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC001170833197 1094604385 /nfs/dbraw/zinc/60/43/85/1094604385.db2.gz GDXNWVWWDDCHMX-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC001170833197 1094604393 /nfs/dbraw/zinc/60/43/93/1094604393.db2.gz GDXNWVWWDDCHMX-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](Oc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001218177359 1094645001 /nfs/dbraw/zinc/64/50/01/1094645001.db2.gz MGVNXYDUJQBICG-HXUWFJFHSA-N 2 1 308.425 3.333 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218335915 1094725620 /nfs/dbraw/zinc/72/56/20/1094725620.db2.gz ODMDMIAKUNKSJY-UWJYYQICSA-N 2 1 324.468 3.477 20 0 DGADMP CC[C@]1(c2cccc(O[C@H]3C[NH2+][C@@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001218393358 1094748040 /nfs/dbraw/zinc/74/80/40/1094748040.db2.gz UPMVZFHCAZGBGU-MNEFBYGVSA-N 2 1 302.462 3.189 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cn1 ZINC001336887676 1094772228 /nfs/dbraw/zinc/77/22/28/1094772228.db2.gz DXGKANGORBYGNA-NLWGTHIKSA-N 2 1 315.505 3.442 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135980552 1094774330 /nfs/dbraw/zinc/77/43/30/1094774330.db2.gz QAYQEDRPKXBUJN-JKSUJKDBSA-N 2 1 313.530 3.027 20 0 DGADMP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995451 1094785323 /nfs/dbraw/zinc/78/53/23/1094785323.db2.gz FWOKBVPASUZDCZ-IAGOWNOFSA-N 2 1 313.530 3.172 20 0 DGADMP Cc1cc(F)cc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC001337099631 1094852307 /nfs/dbraw/zinc/85/23/07/1094852307.db2.gz HLFZTLLZKHSOFR-UHFFFAOYSA-N 2 1 300.381 3.253 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170943731 1094979492 /nfs/dbraw/zinc/97/94/92/1094979492.db2.gz NNWAYAYNGAZGRI-IIDMSEBBSA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170943735 1094980118 /nfs/dbraw/zinc/98/01/18/1094980118.db2.gz NNWAYAYNGAZGRI-RVKKMQEKSA-N 2 1 304.865 3.081 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000313679795 1095016592 /nfs/dbraw/zinc/01/65/92/1095016592.db2.gz MEOCLJYSOQPAHU-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000313679795 1095016576 /nfs/dbraw/zinc/01/65/76/1095016576.db2.gz MEOCLJYSOQPAHU-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cccc(F)c3C2)[C@H](C)C1 ZINC001170977281 1095067578 /nfs/dbraw/zinc/06/75/78/1095067578.db2.gz NSBHLRVXASSYSS-SIXWZSSISA-N 2 1 304.453 3.391 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC001246243734 1095139930 /nfs/dbraw/zinc/13/99/30/1095139930.db2.gz MLHQNISARGXVGV-ZYHUDNBSSA-N 2 1 317.296 3.377 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948867 1095203025 /nfs/dbraw/zinc/20/30/25/1095203025.db2.gz LGXJITLHVKKMAF-QYZOEREBSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948867 1095203035 /nfs/dbraw/zinc/20/30/35/1095203035.db2.gz LGXJITLHVKKMAF-QYZOEREBSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948867 1095203044 /nfs/dbraw/zinc/20/30/44/1095203044.db2.gz LGXJITLHVKKMAF-QYZOEREBSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948867 1095203053 /nfs/dbraw/zinc/20/30/53/1095203053.db2.gz LGXJITLHVKKMAF-QYZOEREBSA-N 2 1 302.462 3.153 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246348353 1095240119 /nfs/dbraw/zinc/24/01/19/1095240119.db2.gz VYIBVAWLQHBPEQ-FZMZJTMJSA-N 2 1 313.283 3.343 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532118 1095454068 /nfs/dbraw/zinc/45/40/68/1095454068.db2.gz UASGOEZEGNPSDS-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161623 1095466009 /nfs/dbraw/zinc/46/60/09/1095466009.db2.gz QGXRWNAZRULNBB-SFHVURJKSA-N 2 1 304.482 3.210 20 0 DGADMP CC(C)n1nccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161623 1095466015 /nfs/dbraw/zinc/46/60/15/1095466015.db2.gz QGXRWNAZRULNBB-SFHVURJKSA-N 2 1 304.482 3.210 20 0 DGADMP COc1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160070 1095466378 /nfs/dbraw/zinc/46/63/78/1095466378.db2.gz CJDSBOMEBKSYCB-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCn1nc(C)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1C ZINC001222161400 1095466974 /nfs/dbraw/zinc/46/69/74/1095466974.db2.gz NPIWJUBCDFEJTR-IBGZPJMESA-N 2 1 318.509 3.266 20 0 DGADMP c1nc2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)ccc2[nH]1 ZINC001222161924 1095469396 /nfs/dbraw/zinc/46/93/96/1095469396.db2.gz TZXOKSKCAPVKOM-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2ccc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc2[nH]1 ZINC001222161924 1095469402 /nfs/dbraw/zinc/46/94/02/1095469402.db2.gz TZXOKSKCAPVKOM-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2ccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc2[nH]1 ZINC001222161924 1095469405 /nfs/dbraw/zinc/46/94/05/1095469405.db2.gz TZXOKSKCAPVKOM-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1O ZINC001222167070 1095470782 /nfs/dbraw/zinc/47/07/82/1095470782.db2.gz HPIPGLOYANCQNC-IBGZPJMESA-N 2 1 302.462 3.446 20 0 DGADMP CCOc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222171447 1095476038 /nfs/dbraw/zinc/47/60/38/1095476038.db2.gz CBQURIQSDCDTMT-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222171447 1095476044 /nfs/dbraw/zinc/47/60/44/1095476044.db2.gz CBQURIQSDCDTMT-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171356 1095476682 /nfs/dbraw/zinc/47/66/82/1095476682.db2.gz ACWNHDVTNJFIEQ-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1nc(F)ccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171356 1095476685 /nfs/dbraw/zinc/47/66/85/1095476685.db2.gz ACWNHDVTNJFIEQ-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP COc1cncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1C ZINC001222173737 1095477959 /nfs/dbraw/zinc/47/79/59/1095477959.db2.gz WUCGMMBDYXYKQB-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP COc1cncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1C ZINC001222173737 1095477966 /nfs/dbraw/zinc/47/79/66/1095477966.db2.gz WUCGMMBDYXYKQB-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP Nc1c(F)cccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173059 1095478062 /nfs/dbraw/zinc/47/80/62/1095478062.db2.gz QHRZOZYGAJXMPF-GOSISDBHSA-N 2 1 305.441 3.154 20 0 DGADMP Nc1c(F)cccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173059 1095478071 /nfs/dbraw/zinc/47/80/71/1095478071.db2.gz QHRZOZYGAJXMPF-GOSISDBHSA-N 2 1 305.441 3.154 20 0 DGADMP c1cn2c(cccc2C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222172619 1095478351 /nfs/dbraw/zinc/47/83/51/1095478351.db2.gz LXCWTMHDLGDXCO-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001222191072 1095484333 /nfs/dbraw/zinc/48/43/33/1095484333.db2.gz ITIKMHFXGAAQQH-ICSRJNTNSA-N 2 1 320.521 3.482 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001222191072 1095484339 /nfs/dbraw/zinc/48/43/39/1095484339.db2.gz ITIKMHFXGAAQQH-ICSRJNTNSA-N 2 1 320.521 3.482 20 0 DGADMP Fc1cc(Cl)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Cl)c1 ZINC001222208818 1095492913 /nfs/dbraw/zinc/49/29/13/1095492913.db2.gz RCXPDXMADYUFIA-UHFFFAOYSA-N 2 1 303.208 3.318 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222216106 1095496537 /nfs/dbraw/zinc/49/65/37/1095496537.db2.gz WCDIOVXOFGOPTF-IRXDYDNUSA-N 2 1 324.509 3.210 20 0 DGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272617 1095523668 /nfs/dbraw/zinc/52/36/68/1095523668.db2.gz XFOHCMHJCKWODN-FQEVSTJZSA-N 2 1 309.457 3.443 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc(N2CCCC2)c1 ZINC001222278241 1095526331 /nfs/dbraw/zinc/52/63/31/1095526331.db2.gz YRQDACGPLGZDHR-HXUWFJFHSA-N 2 1 313.489 3.252 20 0 DGADMP C[C@@H](C[NH+]1CCC2(CCCC[NH2+]2)CC1)OCc1ccccc1 ZINC001222287762 1095531105 /nfs/dbraw/zinc/53/11/05/1095531105.db2.gz QMFKAPNTLUVIIT-KRWDZBQOSA-N 2 1 302.462 3.200 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222309800 1095543116 /nfs/dbraw/zinc/54/31/16/1095543116.db2.gz SLKRXUBVSBUQIX-QGZVFWFLSA-N 2 1 310.388 3.396 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314274 1095546677 /nfs/dbraw/zinc/54/66/77/1095546677.db2.gz FCUUHSBSWWFOAZ-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314274 1095546682 /nfs/dbraw/zinc/54/66/82/1095546682.db2.gz FCUUHSBSWWFOAZ-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316521 1095548178 /nfs/dbraw/zinc/54/81/78/1095548178.db2.gz WZZMYELJRNSQJN-LJQANCHMSA-N 2 1 318.461 3.120 20 0 DGADMP COc1ccc(C[C@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001339224431 1095548593 /nfs/dbraw/zinc/54/85/93/1095548593.db2.gz NNEOWMSBECQWDN-MIGBEJBISA-N 2 1 302.462 3.089 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001116773326 1095654003 /nfs/dbraw/zinc/65/40/03/1095654003.db2.gz KKTBJBJHOSNEAU-ZWKOTPCHSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001116773326 1095654006 /nfs/dbraw/zinc/65/40/06/1095654006.db2.gz KKTBJBJHOSNEAU-ZWKOTPCHSA-N 2 1 304.478 3.017 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001222532909 1095654356 /nfs/dbraw/zinc/65/43/56/1095654356.db2.gz PQTRAJNGXOTCRQ-UHFFFAOYSA-N 2 1 308.294 3.107 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@@H+]1C ZINC001116863010 1095684457 /nfs/dbraw/zinc/68/44/57/1095684457.db2.gz NAXXBKPBXMCTIE-BEFAXECRSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@H+]1C ZINC001116863010 1095684462 /nfs/dbraw/zinc/68/44/62/1095684462.db2.gz NAXXBKPBXMCTIE-BEFAXECRSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863010 1095684467 /nfs/dbraw/zinc/68/44/67/1095684467.db2.gz NAXXBKPBXMCTIE-BEFAXECRSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863010 1095684473 /nfs/dbraw/zinc/68/44/73/1095684473.db2.gz NAXXBKPBXMCTIE-BEFAXECRSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1ccc(F)c(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602223 1095687606 /nfs/dbraw/zinc/68/76/06/1095687606.db2.gz KZFSWXJPLQCMBI-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602223 1095687614 /nfs/dbraw/zinc/68/76/14/1095687614.db2.gz KZFSWXJPLQCMBI-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900826 1095695400 /nfs/dbraw/zinc/69/54/00/1095695400.db2.gz SWTLHNXZCIQKFT-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900826 1095695404 /nfs/dbraw/zinc/69/54/04/1095695404.db2.gz SWTLHNXZCIQKFT-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222623476 1095697780 /nfs/dbraw/zinc/69/77/80/1095697780.db2.gz KXWAKMNZIUXOHQ-GASCZTMLSA-N 2 1 312.379 3.179 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(C)c1OC(C)C ZINC001222623516 1095698932 /nfs/dbraw/zinc/69/89/32/1095698932.db2.gz LRHOJLOVAMNPHQ-ZWKOTPCHSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222635195 1095702732 /nfs/dbraw/zinc/70/27/32/1095702732.db2.gz REQGLTZWJFLQEW-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@H]2CCC[C@H]21 ZINC001117112734 1095715801 /nfs/dbraw/zinc/71/58/01/1095715801.db2.gz NYJAZEXBOFQYDF-FRRDWIJNSA-N 2 1 313.239 3.005 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@H]2CCC[C@H]21 ZINC001117112734 1095715814 /nfs/dbraw/zinc/71/58/14/1095715814.db2.gz NYJAZEXBOFQYDF-FRRDWIJNSA-N 2 1 313.239 3.005 20 0 DGADMP CC[C@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](CC)CC ZINC001137992787 1095820224 /nfs/dbraw/zinc/82/02/24/1095820224.db2.gz MQWXWVJCEIVLIS-GOSISDBHSA-N 2 1 315.461 3.224 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]CCc2cccnc2)cc1 ZINC001117776815 1095849115 /nfs/dbraw/zinc/84/91/15/1095849115.db2.gz CLNOPFCRPSJYHX-WCRBZPEASA-N 2 1 321.468 3.124 20 0 DGADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1C(F)F ZINC001276866110 1095877405 /nfs/dbraw/zinc/87/74/05/1095877405.db2.gz LVPYCLIIOOCTMR-GASCZTMLSA-N 2 1 324.415 3.406 20 0 DGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1C(F)F ZINC001276866110 1095877430 /nfs/dbraw/zinc/87/74/30/1095877430.db2.gz LVPYCLIIOOCTMR-GASCZTMLSA-N 2 1 324.415 3.406 20 0 DGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1C(F)F ZINC001276866110 1095877452 /nfs/dbraw/zinc/87/74/52/1095877452.db2.gz LVPYCLIIOOCTMR-GASCZTMLSA-N 2 1 324.415 3.406 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3cc(O)ccc3c1)CC2 ZINC001276870875 1095897690 /nfs/dbraw/zinc/89/76/90/1095897690.db2.gz TWVLIYPERRLAGX-UHFFFAOYSA-N 2 1 310.441 3.463 20 0 DGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171246967 1095913269 /nfs/dbraw/zinc/91/32/69/1095913269.db2.gz IWPVBLXQWLQTLS-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171246616 1095915183 /nfs/dbraw/zinc/91/51/83/1095915183.db2.gz GIIKYIHMSXYQAH-FUHWJXTLSA-N 2 1 323.525 3.066 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)ccnc1Cl)CC2 ZINC001276882427 1095944254 /nfs/dbraw/zinc/94/42/54/1095944254.db2.gz UVKJKNLGFKDFAB-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP CC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001118180722 1095951236 /nfs/dbraw/zinc/95/12/36/1095951236.db2.gz MCQOHQNOHUWOFL-UHFFFAOYSA-N 2 1 304.825 3.043 20 0 DGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001171259570 1095954300 /nfs/dbraw/zinc/95/43/00/1095954300.db2.gz WPLQPJOPRFPRDI-HOTGVXAUSA-N 2 1 308.416 3.499 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118242845 1095965448 /nfs/dbraw/zinc/96/54/48/1095965448.db2.gz LCBUZBFIZAQGDK-UHFFFAOYSA-N 2 1 324.472 3.146 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CC3(C2)CC(F)(F)CS3)C[C@H](CC)[NH2+]1 ZINC001246852840 1096046872 /nfs/dbraw/zinc/04/68/72/1096046872.db2.gz KULDNHVSJIFSGP-ITGUQSILSA-N 2 1 304.450 3.122 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001146594560 1096068135 /nfs/dbraw/zinc/06/81/35/1096068135.db2.gz UONITSJZGJHLQA-HOTGVXAUSA-N 2 1 313.530 3.026 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC001340989134 1096087818 /nfs/dbraw/zinc/08/78/18/1096087818.db2.gz BFYSVIPPIYXMBW-GVDBMIGSSA-N 2 1 322.880 3.354 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1cccc(F)c1 ZINC001119270585 1096149985 /nfs/dbraw/zinc/14/99/85/1096149985.db2.gz MTIHMRYTHRSDHZ-GOSISDBHSA-N 2 1 308.441 3.057 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001119610696 1096232749 /nfs/dbraw/zinc/23/27/49/1096232749.db2.gz CZMFJRCDXLVMHW-KTWXZFIHSA-N 2 1 300.446 3.363 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCCC[NH+]1C ZINC001224701403 1096266027 /nfs/dbraw/zinc/26/60/27/1096266027.db2.gz FPMYDPYKALPXAE-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCCC[N@@H+]1C ZINC001224701403 1096266034 /nfs/dbraw/zinc/26/60/34/1096266034.db2.gz FPMYDPYKALPXAE-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224701403 1096266036 /nfs/dbraw/zinc/26/60/36/1096266036.db2.gz FPMYDPYKALPXAE-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCCC[NH+]1C ZINC001224705989 1096268624 /nfs/dbraw/zinc/26/86/24/1096268624.db2.gz IJNBZWQLZNUGCQ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCCC[N@@H+]1C ZINC001224705989 1096268631 /nfs/dbraw/zinc/26/86/31/1096268631.db2.gz IJNBZWQLZNUGCQ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224705989 1096268634 /nfs/dbraw/zinc/26/86/34/1096268634.db2.gz IJNBZWQLZNUGCQ-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC[NH+]1CCCC1 ZINC001224744342 1096276598 /nfs/dbraw/zinc/27/65/98/1096276598.db2.gz JRJJXJIKIRMMCU-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]([C@H](OC[C@@H]1CCC[N@H+]1C)c1ccccc1)[NH+]1CCCC1 ZINC001224820356 1096292350 /nfs/dbraw/zinc/29/23/50/1096292350.db2.gz UJMIIVCFMREAPR-WDSOQIARSA-N 2 1 302.462 3.323 20 0 DGADMP CC[N@H+]1CC[C@@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224830417 1096297327 /nfs/dbraw/zinc/29/73/27/1096297327.db2.gz NYEDARJFQMAYEG-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224830417 1096297336 /nfs/dbraw/zinc/29/73/36/1096297336.db2.gz NYEDARJFQMAYEG-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830417 1096297344 /nfs/dbraw/zinc/29/73/44/1096297344.db2.gz NYEDARJFQMAYEG-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H](n1cc[nH+]c1CCC[NH3+])CC2 ZINC001171318109 1096298752 /nfs/dbraw/zinc/29/87/52/1096298752.db2.gz XYHPWOOKCXSLDC-LBPRGKRZSA-N 2 1 319.836 3.166 20 0 DGADMP CC[NH+](CC)CCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001224929052 1096315266 /nfs/dbraw/zinc/31/52/66/1096315266.db2.gz ZDFFVGBEGKBGLZ-PMOLBWCYSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001224931723 1096316450 /nfs/dbraw/zinc/31/64/50/1096316450.db2.gz IUYUQJBAGAHEHK-XUVXKRRUSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224931927 1096316582 /nfs/dbraw/zinc/31/65/82/1096316582.db2.gz PXEMUDCAJNXDLR-QGZVFWFLSA-N 2 1 308.441 3.149 20 0 DGADMP COc1cc(F)c(C)cc1CN1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277129101 1096693167 /nfs/dbraw/zinc/69/31/67/1096693167.db2.gz SYKSLTOOINBSTJ-LJQANCHMSA-N 2 1 320.452 3.451 20 0 DGADMP CCOc1cc(C)ccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277164601 1096808791 /nfs/dbraw/zinc/80/87/91/1096808791.db2.gz FIZURPXMVKHANP-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1cc(C)ccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277164601 1096808799 /nfs/dbraw/zinc/80/87/99/1096808799.db2.gz FIZURPXMVKHANP-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1cc(C)ccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277164601 1096808805 /nfs/dbraw/zinc/80/88/05/1096808805.db2.gz FIZURPXMVKHANP-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)CC1 ZINC001171492837 1096898806 /nfs/dbraw/zinc/89/88/06/1096898806.db2.gz JPMAXBXOHIGBDZ-INIZCTEOSA-N 2 1 320.427 3.240 20 0 DGADMP CCOc1nccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1Cl ZINC001277205116 1096924686 /nfs/dbraw/zinc/92/46/86/1096924686.db2.gz FOBLGOJWDQCETL-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1(C)C ZINC001171628670 1096930523 /nfs/dbraw/zinc/93/05/23/1096930523.db2.gz FQJNKPLAHKMXFF-UHFFFAOYSA-N 2 1 317.433 3.274 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@](C)(CO)c2ccccc2)CC1(C)C ZINC001171626337 1096938627 /nfs/dbraw/zinc/93/86/27/1096938627.db2.gz ZEUARTIQDAMOJN-LJQANCHMSA-N 2 1 304.478 3.135 20 0 DGADMP C[NH+]1C(C)(C)CC(N2CC[N@H+](C)CC23CCCC3)CC1(C)C ZINC001171640323 1096949487 /nfs/dbraw/zinc/94/94/87/1096949487.db2.gz CIEVSBSKYCPFQU-UHFFFAOYSA-N 2 1 307.526 3.198 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171725610 1096955090 /nfs/dbraw/zinc/95/50/90/1096955090.db2.gz NKBUIVCJYAFJON-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171725610 1096955095 /nfs/dbraw/zinc/95/50/95/1096955095.db2.gz NKBUIVCJYAFJON-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725610 1096955102 /nfs/dbraw/zinc/95/51/02/1096955102.db2.gz NKBUIVCJYAFJON-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171725610 1096955107 /nfs/dbraw/zinc/95/51/07/1096955107.db2.gz NKBUIVCJYAFJON-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171725610 1096955113 /nfs/dbraw/zinc/95/51/13/1096955113.db2.gz NKBUIVCJYAFJON-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@@H](n2nc(C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725866 1096955173 /nfs/dbraw/zinc/95/51/73/1096955173.db2.gz ONCSJPRSERNGSQ-NVXWUHKLSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](N(C)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171761093 1096964974 /nfs/dbraw/zinc/96/49/74/1096964974.db2.gz BTEQZXGWIIAEAN-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171762743 1096965120 /nfs/dbraw/zinc/96/51/20/1096965120.db2.gz MFSNFLKERRPITI-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171820793 1096974646 /nfs/dbraw/zinc/97/46/46/1096974646.db2.gz GZBILTDETIGYRB-MRXNPFEDSA-N 2 1 322.497 3.036 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171809692 1096983944 /nfs/dbraw/zinc/98/39/44/1096983944.db2.gz LGDGEUFTWLAHBA-INIZCTEOSA-N 2 1 302.437 3.243 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962401 1097005958 /nfs/dbraw/zinc/00/59/58/1097005958.db2.gz CRRFRLFNDQCKEA-RTBURBONSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171964126 1097006705 /nfs/dbraw/zinc/00/67/05/1097006705.db2.gz KOMIFPLFSUTHHJ-QZTJIDSGSA-N 2 1 302.462 3.198 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001171948259 1097015778 /nfs/dbraw/zinc/01/57/78/1097015778.db2.gz BZHSMJOXICNUOV-SDDULXJBSA-N 2 1 324.509 3.207 20 0 DGADMP CC(C)N(CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970093 1097020161 /nfs/dbraw/zinc/02/01/61/1097020161.db2.gz YJTFRTDKJVHGLZ-LJQANCHMSA-N 2 1 317.521 3.489 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171970093 1097020166 /nfs/dbraw/zinc/02/01/66/1097020166.db2.gz YJTFRTDKJVHGLZ-LJQANCHMSA-N 2 1 317.521 3.489 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171970093 1097020171 /nfs/dbraw/zinc/02/01/71/1097020171.db2.gz YJTFRTDKJVHGLZ-LJQANCHMSA-N 2 1 317.521 3.489 20 0 DGADMP C[C@@]1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171975213 1097023767 /nfs/dbraw/zinc/02/37/67/1097023767.db2.gz CTYOQKCPLZLYGH-IEBWSBKVSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@@H](n2cnc3c2C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001171976281 1097024048 /nfs/dbraw/zinc/02/40/48/1097024048.db2.gz JVMRGNUXKRXPNN-KRWDZBQOSA-N 2 1 324.472 3.145 20 0 DGADMP C[C@@]1(CO)CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977437 1097024938 /nfs/dbraw/zinc/02/49/38/1097024938.db2.gz RISWKYRSXIFGBF-AZUAARDMSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(CO)CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977437 1097024946 /nfs/dbraw/zinc/02/49/46/1097024946.db2.gz RISWKYRSXIFGBF-AZUAARDMSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(CO)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977437 1097024948 /nfs/dbraw/zinc/02/49/48/1097024948.db2.gz RISWKYRSXIFGBF-AZUAARDMSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(CO)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977437 1097024954 /nfs/dbraw/zinc/02/49/54/1097024954.db2.gz RISWKYRSXIFGBF-AZUAARDMSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171986132 1097028623 /nfs/dbraw/zinc/02/86/23/1097028623.db2.gz FKFGBCVCPSQNFO-QUCCMNQESA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171986132 1097028625 /nfs/dbraw/zinc/02/86/25/1097028625.db2.gz FKFGBCVCPSQNFO-QUCCMNQESA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986132 1097028631 /nfs/dbraw/zinc/02/86/31/1097028631.db2.gz FKFGBCVCPSQNFO-QUCCMNQESA-N 2 1 314.473 3.294 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171986132 1097028636 /nfs/dbraw/zinc/02/86/36/1097028636.db2.gz FKFGBCVCPSQNFO-QUCCMNQESA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988473 1097028683 /nfs/dbraw/zinc/02/86/83/1097028683.db2.gz RUARJGXPHFOGDV-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988473 1097028688 /nfs/dbraw/zinc/02/86/88/1097028688.db2.gz RUARJGXPHFOGDV-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988473 1097028692 /nfs/dbraw/zinc/02/86/92/1097028692.db2.gz RUARJGXPHFOGDV-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988473 1097028697 /nfs/dbraw/zinc/02/86/97/1097028697.db2.gz RUARJGXPHFOGDV-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988473 1097028699 /nfs/dbraw/zinc/02/86/99/1097028699.db2.gz RUARJGXPHFOGDV-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[NH+](C)C1(C)CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986257 1097030558 /nfs/dbraw/zinc/03/05/58/1097030558.db2.gz GEMKDYAXRGCEGY-SFHVURJKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@]1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172071125 1097036443 /nfs/dbraw/zinc/03/64/43/1097036443.db2.gz UYIMCNSCLCEDOD-HAGHYFMRSA-N 2 1 314.473 3.341 20 0 DGADMP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073254 1097038354 /nfs/dbraw/zinc/03/83/54/1097038354.db2.gz PPVIKCTWZSXOBE-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065751 1097043526 /nfs/dbraw/zinc/04/35/26/1097043526.db2.gz QFEIKTRZMHWRRR-NCQGUEQISA-N 2 1 314.473 3.075 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065621 1097043671 /nfs/dbraw/zinc/04/36/71/1097043671.db2.gz PIFZOAKIPSUSJD-REPLKXPHSA-N 2 1 316.489 3.323 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066337 1097043684 /nfs/dbraw/zinc/04/36/84/1097043684.db2.gz VQFOACJSPRSZEG-NCQGUEQISA-N 2 1 314.473 3.339 20 0 DGADMP CO[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068833 1097046732 /nfs/dbraw/zinc/04/67/32/1097046732.db2.gz LHKQJXAPRBYDME-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068833 1097046735 /nfs/dbraw/zinc/04/67/35/1097046735.db2.gz LHKQJXAPRBYDME-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068833 1097046741 /nfs/dbraw/zinc/04/67/41/1097046741.db2.gz LHKQJXAPRBYDME-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068833 1097046747 /nfs/dbraw/zinc/04/67/47/1097046747.db2.gz LHKQJXAPRBYDME-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172131631 1097050100 /nfs/dbraw/zinc/05/01/00/1097050100.db2.gz XTIWIIJHEVHEPH-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131631 1097050107 /nfs/dbraw/zinc/05/01/07/1097050107.db2.gz XTIWIIJHEVHEPH-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131631 1097050108 /nfs/dbraw/zinc/05/01/08/1097050108.db2.gz XTIWIIJHEVHEPH-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172131631 1097050112 /nfs/dbraw/zinc/05/01/12/1097050112.db2.gz XTIWIIJHEVHEPH-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172131631 1097050117 /nfs/dbraw/zinc/05/01/17/1097050117.db2.gz XTIWIIJHEVHEPH-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP Cc1ccn2cc(CN(C)[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nc2c1 ZINC001172132037 1097050702 /nfs/dbraw/zinc/05/07/02/1097050702.db2.gz JLRZEXGCGZGUEM-PIIMJCKOSA-N 2 1 312.461 3.090 20 0 DGADMP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1C1CCCCC1 ZINC001172132792 1097050836 /nfs/dbraw/zinc/05/08/36/1097050836.db2.gz ODFKTWFCZTWQRT-FFGOWVMKSA-N 2 1 319.537 3.341 20 0 DGADMP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C1CCCCC1 ZINC001172132792 1097050839 /nfs/dbraw/zinc/05/08/39/1097050839.db2.gz ODFKTWFCZTWQRT-FFGOWVMKSA-N 2 1 319.537 3.341 20 0 DGADMP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C1CCCCC1 ZINC001172132792 1097050843 /nfs/dbraw/zinc/05/08/43/1097050843.db2.gz ODFKTWFCZTWQRT-FFGOWVMKSA-N 2 1 319.537 3.341 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)C2 ZINC001172105762 1097055239 /nfs/dbraw/zinc/05/52/39/1097055239.db2.gz KEHBGTWLVXEOAW-OWZKRDHZSA-N 2 1 324.472 3.036 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COc3cc(Cl)ccc31)C2 ZINC001172111006 1097055916 /nfs/dbraw/zinc/05/59/16/1097055916.db2.gz NYRNCVAVFITISY-AYDFFVQHSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COc3cc(Cl)ccc31)C2 ZINC001172111006 1097055920 /nfs/dbraw/zinc/05/59/20/1097055920.db2.gz NYRNCVAVFITISY-AYDFFVQHSA-N 2 1 306.837 3.378 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172109415 1097056020 /nfs/dbraw/zinc/05/60/20/1097056020.db2.gz CYUHGYMFNNAIQA-NKGKWGDASA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172109415 1097056026 /nfs/dbraw/zinc/05/60/26/1097056026.db2.gz CYUHGYMFNNAIQA-NKGKWGDASA-N 2 1 316.445 3.139 20 0 DGADMP COc1cccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172109972 1097057764 /nfs/dbraw/zinc/05/77/64/1097057764.db2.gz HMTGKUFJUATFBU-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP COc1cccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172109972 1097057770 /nfs/dbraw/zinc/05/77/70/1097057770.db2.gz HMTGKUFJUATFBU-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172112128 1097058375 /nfs/dbraw/zinc/05/83/75/1097058375.db2.gz RXIHNYLRKQVOAT-GGXPGOJBSA-N 2 1 315.461 3.146 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001172113397 1097058614 /nfs/dbraw/zinc/05/86/14/1097058614.db2.gz CRHZYCIMOVYCKU-VDMKFOLZSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001172113397 1097058621 /nfs/dbraw/zinc/05/86/21/1097058621.db2.gz CRHZYCIMOVYCKU-VDMKFOLZSA-N 2 1 322.880 3.367 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(F)c(Cl)c1)C2 ZINC001172112301 1097058698 /nfs/dbraw/zinc/05/86/98/1097058698.db2.gz UJONGFFVNCSFPT-CLLJXQQHSA-N 2 1 309.816 3.409 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccn1)C2 ZINC001172112103 1097058717 /nfs/dbraw/zinc/05/87/17/1097058717.db2.gz TTZSFYBZKBNPLR-XMQYKBBCSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccn1)C2 ZINC001172112103 1097058724 /nfs/dbraw/zinc/05/87/24/1097058724.db2.gz TTZSFYBZKBNPLR-XMQYKBBCSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccc3ccccc31)C2 ZINC001172112029 1097058861 /nfs/dbraw/zinc/05/88/61/1097058861.db2.gz ZLBBXZREMVYRQY-BMQTXXJKSA-N 2 1 324.468 3.478 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1(O)CCC1)C2 ZINC001172113341 1097059426 /nfs/dbraw/zinc/05/94/26/1097059426.db2.gz CHJRLCDMMDAXJV-FCGDIQPGSA-N 2 1 314.473 3.248 20 0 DGADMP COc1cnccc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172114675 1097060702 /nfs/dbraw/zinc/06/07/02/1097060702.db2.gz SECGAWFPZQTAEQ-GGXPGOJBSA-N 2 1 315.461 3.146 20 0 DGADMP COc1ccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172116085 1097060966 /nfs/dbraw/zinc/06/09/66/1097060966.db2.gz XPVSATYSEONPGW-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172116085 1097060971 /nfs/dbraw/zinc/06/09/71/1097060971.db2.gz XPVSATYSEONPGW-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115689 1097060995 /nfs/dbraw/zinc/06/09/95/1097060995.db2.gz YTONGZLEYBBSBS-ZJPYXAASSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115689 1097060999 /nfs/dbraw/zinc/06/09/99/1097060999.db2.gz YTONGZLEYBBSBS-ZJPYXAASSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120875 1097062910 /nfs/dbraw/zinc/06/29/10/1097062910.db2.gz GRMQLXUOAPQJHK-YSTOQKLRSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120875 1097062913 /nfs/dbraw/zinc/06/29/13/1097062913.db2.gz GRMQLXUOAPQJHK-YSTOQKLRSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120875 1097062917 /nfs/dbraw/zinc/06/29/17/1097062917.db2.gz GRMQLXUOAPQJHK-YSTOQKLRSA-N 2 1 319.537 3.342 20 0 DGADMP COc1cc(C)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118946 1097064737 /nfs/dbraw/zinc/06/47/37/1097064737.db2.gz UNDHIDSWYYESSO-BCDXTJNWSA-N 2 1 302.462 3.417 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123593 1097066073 /nfs/dbraw/zinc/06/60/73/1097066073.db2.gz FEUXVYBXXAVANB-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123593 1097066079 /nfs/dbraw/zinc/06/60/79/1097066079.db2.gz FEUXVYBXXAVANB-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123593 1097066085 /nfs/dbraw/zinc/06/60/85/1097066085.db2.gz FEUXVYBXXAVANB-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123593 1097066091 /nfs/dbraw/zinc/06/60/91/1097066091.db2.gz FEUXVYBXXAVANB-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123593 1097066096 /nfs/dbraw/zinc/06/60/96/1097066096.db2.gz FEUXVYBXXAVANB-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](OCc3ccccc3)C1)C2 ZINC001172122663 1097066821 /nfs/dbraw/zinc/06/68/21/1097066821.db2.gz RUBJCXTXAXEKIF-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](OCc3ccccc3)C1)C2 ZINC001172122663 1097066826 /nfs/dbraw/zinc/06/68/26/1097066826.db2.gz RUBJCXTXAXEKIF-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](OCc3ccccc3)C1)C2 ZINC001172122663 1097066832 /nfs/dbraw/zinc/06/68/32/1097066832.db2.gz RUBJCXTXAXEKIF-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC001172279206 1097102531 /nfs/dbraw/zinc/10/25/31/1097102531.db2.gz AFCUNDGVKMHESR-KRWDZBQOSA-N 2 1 302.462 3.198 20 0 DGADMP CCOCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172429470 1097137690 /nfs/dbraw/zinc/13/76/90/1097137690.db2.gz ZCQATHUJQIJTHV-KRWDZBQOSA-N 2 1 304.478 3.398 20 0 DGADMP CC[C@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172400715 1097144476 /nfs/dbraw/zinc/14/44/76/1097144476.db2.gz VVBSIBPRKUWOMX-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP CC[C@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172400715 1097144479 /nfs/dbraw/zinc/14/44/79/1097144479.db2.gz VVBSIBPRKUWOMX-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001172400715 1097144484 /nfs/dbraw/zinc/14/44/84/1097144484.db2.gz VVBSIBPRKUWOMX-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001172400715 1097144488 /nfs/dbraw/zinc/14/44/88/1097144488.db2.gz VVBSIBPRKUWOMX-MRXNPFEDSA-N 2 1 306.498 3.364 20 0 DGADMP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)CCOC(C)C)CC2)c1 ZINC001172437370 1097152905 /nfs/dbraw/zinc/15/29/05/1097152905.db2.gz ORQWXAHGQSCKOL-MRXNPFEDSA-N 2 1 320.477 3.149 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172570677 1097183606 /nfs/dbraw/zinc/18/36/06/1097183606.db2.gz HRPJVTFDROXXMH-RYUDHWBXSA-N 2 1 316.823 3.481 20 0 DGADMP [NH3+]CCCC[NH+]1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172544756 1097187641 /nfs/dbraw/zinc/18/76/41/1097187641.db2.gz FGGINUCFJKNYBK-UXHICEINSA-N 2 1 315.505 3.069 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172611611 1097195944 /nfs/dbraw/zinc/19/59/44/1097195944.db2.gz ZXFPFFXDMFTKDQ-AHCXZYCDSA-N 2 1 322.493 3.233 20 0 DGADMP CC1(C)CC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC(C)(C)O1 ZINC001172655010 1097202957 /nfs/dbraw/zinc/20/29/57/1097202957.db2.gz NWVQJAKNQPXDHF-INIZCTEOSA-N 2 1 302.462 3.108 20 0 DGADMP CC1(C)CC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC(C)(C)O1 ZINC001172655010 1097202962 /nfs/dbraw/zinc/20/29/62/1097202962.db2.gz NWVQJAKNQPXDHF-INIZCTEOSA-N 2 1 302.462 3.108 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206174671 1097215215 /nfs/dbraw/zinc/21/52/15/1097215215.db2.gz OPMOVIMCUZDZPA-UONOGXRCSA-N 2 1 320.330 3.155 20 0 DGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)CC[NH+](C)C3)C2 ZINC001228944520 1097223908 /nfs/dbraw/zinc/22/39/08/1097223908.db2.gz OGJLJUVVJYWTRV-RUYXUALKSA-N 2 1 314.473 3.457 20 0 DGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)CC[N@@H+](C)C3)C2 ZINC001228944520 1097223911 /nfs/dbraw/zinc/22/39/11/1097223911.db2.gz OGJLJUVVJYWTRV-RUYXUALKSA-N 2 1 314.473 3.457 20 0 DGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)CC[N@H+](C)C3)C2 ZINC001228944520 1097223914 /nfs/dbraw/zinc/22/39/14/1097223914.db2.gz OGJLJUVVJYWTRV-RUYXUALKSA-N 2 1 314.473 3.457 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172747234 1097223937 /nfs/dbraw/zinc/22/39/37/1097223937.db2.gz ZWEUUZXBFUDYDG-AEFFLSMTSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172747234 1097223941 /nfs/dbraw/zinc/22/39/41/1097223941.db2.gz ZWEUUZXBFUDYDG-AEFFLSMTSA-N 2 1 324.509 3.351 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001172927289 1097283180 /nfs/dbraw/zinc/28/31/80/1097283180.db2.gz FOLWFRNKVLUODF-DLBZAZTESA-N 2 1 306.425 3.033 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001173079384 1097325686 /nfs/dbraw/zinc/32/56/86/1097325686.db2.gz RMFJQJMZWGAXEM-CYBMUJFWSA-N 2 1 318.383 3.400 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]CCCN2CCC(C)CC2)CC1 ZINC001173102560 1097329183 /nfs/dbraw/zinc/32/91/83/1097329183.db2.gz ADBJLCQHFHRAEF-UHFFFAOYSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cnc3ccccn23)CC1 ZINC001173109275 1097332286 /nfs/dbraw/zinc/33/22/86/1097332286.db2.gz FVIGJGILMCBBNC-UHFFFAOYSA-N 2 1 314.477 3.419 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2c2nc(C)no2)CC1 ZINC001173113353 1097332466 /nfs/dbraw/zinc/33/24/66/1097332466.db2.gz NPJASBWNXBGWBK-GPANFISMSA-N 2 1 306.454 3.168 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001173173542 1097355297 /nfs/dbraw/zinc/35/52/97/1097355297.db2.gz LCYAJXSCRJULJY-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001173173542 1097355301 /nfs/dbraw/zinc/35/53/01/1097355301.db2.gz LCYAJXSCRJULJY-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173173542 1097355304 /nfs/dbraw/zinc/35/53/04/1097355304.db2.gz LCYAJXSCRJULJY-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP Cc1cn2cc(Nc3cccc(N4CC[NH+](C)CC4)c3)ccc2[nH+]1 ZINC001212711514 1097358491 /nfs/dbraw/zinc/35/84/91/1097358491.db2.gz DFKGTOANKOHYOW-UHFFFAOYSA-N 2 1 321.428 3.138 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197833 1097359967 /nfs/dbraw/zinc/35/99/67/1097359967.db2.gz JZEGYEIJMNHRDV-MUYFXNHWSA-N 2 1 302.462 3.308 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173168523 1097362896 /nfs/dbraw/zinc/36/28/96/1097362896.db2.gz KKEDADMWCYDPQV-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170556 1097364963 /nfs/dbraw/zinc/36/49/63/1097364963.db2.gz NTITXENNBBBJEE-YTQUADARSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170556 1097364968 /nfs/dbraw/zinc/36/49/68/1097364968.db2.gz NTITXENNBBBJEE-YTQUADARSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001173205212 1097379359 /nfs/dbraw/zinc/37/93/59/1097379359.db2.gz NYWNHTQRRWVPDK-FXAWDEMLSA-N 2 1 324.468 3.257 20 0 DGADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001173205212 1097379364 /nfs/dbraw/zinc/37/93/64/1097379364.db2.gz NYWNHTQRRWVPDK-FXAWDEMLSA-N 2 1 324.468 3.257 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001173267244 1097390082 /nfs/dbraw/zinc/39/00/82/1097390082.db2.gz QRVHZVWDDVKUFS-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CCSC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173295204 1097399935 /nfs/dbraw/zinc/39/99/35/1097399935.db2.gz JIITVZDIUFENQE-XIRDDKMYSA-N 2 1 307.507 3.295 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)C1 ZINC001173356606 1097431010 /nfs/dbraw/zinc/43/10/10/1097431010.db2.gz GCMSWGSDPPZPRY-SLFFLAALSA-N 2 1 309.457 3.112 20 0 DGADMP CCN1CC[C@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173356991 1097431433 /nfs/dbraw/zinc/43/14/33/1097431433.db2.gz HYOXHQZGNMLTLG-UFYCRDLUSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173599098 1097469336 /nfs/dbraw/zinc/46/93/36/1097469336.db2.gz KANILJIMFKXHIQ-HFCFLWKCSA-N 2 1 324.509 3.210 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173599098 1097469338 /nfs/dbraw/zinc/46/93/38/1097469338.db2.gz KANILJIMFKXHIQ-HFCFLWKCSA-N 2 1 324.509 3.210 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173629553 1097476468 /nfs/dbraw/zinc/47/64/68/1097476468.db2.gz AYDUTSUGJVFLEL-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173629553 1097476470 /nfs/dbraw/zinc/47/64/70/1097476470.db2.gz AYDUTSUGJVFLEL-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)CC[C@@H]1F ZINC001206209414 1097491954 /nfs/dbraw/zinc/49/19/54/1097491954.db2.gz FFEGATTWEZPGIX-UONOGXRCSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)CC[C@@H]1F ZINC001206209414 1097491956 /nfs/dbraw/zinc/49/19/56/1097491956.db2.gz FFEGATTWEZPGIX-UONOGXRCSA-N 2 1 305.422 3.071 20 0 DGADMP C[NH+]1CCN(c2cccc(Nc3cc[nH+]c4ccccc34)c2)CC1 ZINC001174039160 1097597023 /nfs/dbraw/zinc/59/70/23/1097597023.db2.gz XAFSRNPHPSCNQI-UHFFFAOYSA-N 2 1 318.424 3.152 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001231532498 1097775087 /nfs/dbraw/zinc/77/50/87/1097775087.db2.gz DMOYAEDYQNKYGU-UHFFFAOYSA-N 2 1 319.493 3.421 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894169 1097881811 /nfs/dbraw/zinc/88/18/11/1097881811.db2.gz ROLZYEXCINGNBW-CQSZACIVSA-N 2 1 319.355 3.376 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894169 1097881815 /nfs/dbraw/zinc/88/18/15/1097881815.db2.gz ROLZYEXCINGNBW-CQSZACIVSA-N 2 1 319.355 3.376 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c[nH]nc2c1 ZINC001231908029 1097887990 /nfs/dbraw/zinc/88/79/90/1097887990.db2.gz CJWWYISWGJIQIE-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC001231908029 1097887995 /nfs/dbraw/zinc/88/79/95/1097887995.db2.gz CJWWYISWGJIQIE-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC001231908029 1097888001 /nfs/dbraw/zinc/88/80/01/1097888001.db2.gz CJWWYISWGJIQIE-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP CC(C)(C)OC(=O)C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014452 1097917955 /nfs/dbraw/zinc/91/79/55/1097917955.db2.gz PRVYRXKCJRLOEU-UHFFFAOYSA-N 2 1 315.417 3.117 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2c1cccc2Br ZINC001232016984 1097918015 /nfs/dbraw/zinc/91/80/15/1097918015.db2.gz XAZABAALTUPBTR-UHFFFAOYSA-N 2 1 324.266 3.314 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014073 1097918662 /nfs/dbraw/zinc/91/86/62/1097918662.db2.gz JGMGGALMHWASTO-CYBMUJFWSA-N 2 1 315.417 3.117 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2ccncc2[nH]1 ZINC001232095393 1097938628 /nfs/dbraw/zinc/93/86/28/1097938628.db2.gz GEDNCTMFVHAYBX-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2ccncc2[nH]1 ZINC001232095393 1097938631 /nfs/dbraw/zinc/93/86/31/1097938631.db2.gz GEDNCTMFVHAYBX-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2ccncc2[nH]1 ZINC001232095393 1097938636 /nfs/dbraw/zinc/93/86/36/1097938636.db2.gz GEDNCTMFVHAYBX-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2ccncc2[nH]1 ZINC001232095393 1097938641 /nfs/dbraw/zinc/93/86/41/1097938641.db2.gz GEDNCTMFVHAYBX-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)Cc1ccccn1 ZINC001232146685 1097950029 /nfs/dbraw/zinc/95/00/29/1097950029.db2.gz YOLLPUAJVQZBGM-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)Cc1ccccn1 ZINC001232146685 1097950033 /nfs/dbraw/zinc/95/00/33/1097950033.db2.gz YOLLPUAJVQZBGM-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232460616 1098044578 /nfs/dbraw/zinc/04/45/78/1098044578.db2.gz RFCYQHAZQQREDP-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232460616 1098044584 /nfs/dbraw/zinc/04/45/84/1098044584.db2.gz RFCYQHAZQQREDP-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP Cc1cc[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001277681137 1098075838 /nfs/dbraw/zinc/07/58/38/1098075838.db2.gz RQRDRJVOCHKACK-CALCHBBNSA-N 2 1 310.445 3.067 20 0 DGADMP Cc1cc[nH+]c(N2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001277681137 1098075846 /nfs/dbraw/zinc/07/58/46/1098075846.db2.gz RQRDRJVOCHKACK-CALCHBBNSA-N 2 1 310.445 3.067 20 0 DGADMP COc1cc(O)cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232807533 1098141226 /nfs/dbraw/zinc/14/12/26/1098141226.db2.gz VAGGKVAHLMCBLZ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232807533 1098141228 /nfs/dbraw/zinc/14/12/28/1098141228.db2.gz VAGGKVAHLMCBLZ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001232807533 1098141232 /nfs/dbraw/zinc/14/12/32/1098141232.db2.gz VAGGKVAHLMCBLZ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001232807533 1098141235 /nfs/dbraw/zinc/14/12/35/1098141235.db2.gz VAGGKVAHLMCBLZ-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832358 1098176267 /nfs/dbraw/zinc/17/62/67/1098176267.db2.gz YNWKKEROKJLJIN-VQIMIIECSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832358 1098176273 /nfs/dbraw/zinc/17/62/73/1098176273.db2.gz YNWKKEROKJLJIN-VQIMIIECSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3c2CCO3)CC1 ZINC001233274744 1098271510 /nfs/dbraw/zinc/27/15/10/1098271510.db2.gz AULKKBUNCOFSOU-UHFFFAOYSA-N 2 1 323.440 3.064 20 0 DGADMP Cn1c2ccccc2[nH+]c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176222447 1098287440 /nfs/dbraw/zinc/28/74/40/1098287440.db2.gz FXSDFFNSYDBRPW-UHFFFAOYSA-N 2 1 310.401 3.257 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001206269142 1098300823 /nfs/dbraw/zinc/30/08/23/1098300823.db2.gz CNYTZJFRWDUASH-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP CC(C)[NH+]1CCC2(CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001277798052 1098399602 /nfs/dbraw/zinc/39/96/02/1098399602.db2.gz YJRUCXFONWYSAP-UHFFFAOYSA-N 2 1 312.461 3.259 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C ZINC001176759258 1098434262 /nfs/dbraw/zinc/43/42/62/1098434262.db2.gz HOSQUYSSFJFXRV-QZTJIDSGSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCOCc2ccccc2)CC1 ZINC001206296041 1098490495 /nfs/dbraw/zinc/49/04/95/1098490495.db2.gz OWAKYXFUFRPPCL-LJQANCHMSA-N 2 1 304.478 3.434 20 0 DGADMP CC[N@@H+](Cc1ccc(-n2ccnc2)c(OC)c1)Cc1ccccn1 ZINC001234076180 1098490835 /nfs/dbraw/zinc/49/08/35/1098490835.db2.gz RTLMBRXBQVXIEY-UHFFFAOYSA-N 2 1 322.412 3.298 20 0 DGADMP CCN(Cc1ccc(-n2ccnc2)c(OC)c1)Cc1ccccn1 ZINC001234076180 1098490838 /nfs/dbraw/zinc/49/08/38/1098490838.db2.gz RTLMBRXBQVXIEY-UHFFFAOYSA-N 2 1 322.412 3.298 20 0 DGADMP C[C@H](CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC001177328874 1098517571 /nfs/dbraw/zinc/51/75/71/1098517571.db2.gz TUDHCAOVDLDOMT-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC001177328874 1098517577 /nfs/dbraw/zinc/51/75/77/1098517577.db2.gz TUDHCAOVDLDOMT-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CCOc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)n1 ZINC001177737279 1098596215 /nfs/dbraw/zinc/59/62/15/1098596215.db2.gz LNEXFQMEGJNZNC-UHFFFAOYSA-N 2 1 313.445 3.222 20 0 DGADMP CCOC(=[NH2+])c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001234590958 1098611569 /nfs/dbraw/zinc/61/15/69/1098611569.db2.gz VWRGVUSMSRTLAR-QLPKVWCKSA-N 2 1 302.418 3.158 20 0 DGADMP CCOC(=[NH2+])c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001234590958 1098611570 /nfs/dbraw/zinc/61/15/70/1098611570.db2.gz VWRGVUSMSRTLAR-QLPKVWCKSA-N 2 1 302.418 3.158 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1OC(C)C)C1CCN(C)CC1 ZINC001234713910 1098652346 /nfs/dbraw/zinc/65/23/46/1098652346.db2.gz BQMIXXSVHDNVFT-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CCN(Cc1ccc(OC)cc1OC(C)C)C1CC[NH+](C)CC1 ZINC001234713910 1098652349 /nfs/dbraw/zinc/65/23/49/1098652349.db2.gz BQMIXXSVHDNVFT-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001277892646 1098666392 /nfs/dbraw/zinc/66/63/92/1098666392.db2.gz AKMKUOSTERDMHH-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc12 ZINC001234971489 1098730556 /nfs/dbraw/zinc/73/05/56/1098730556.db2.gz OVRPRTHYXFZKOI-FOIQADDNSA-N 2 1 322.408 3.006 20 0 DGADMP c1ccc2c(c1)oc1ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc12 ZINC001234971489 1098730568 /nfs/dbraw/zinc/73/05/68/1098730568.db2.gz OVRPRTHYXFZKOI-FOIQADDNSA-N 2 1 322.408 3.006 20 0 DGADMP c1ccc(CCc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234983481 1098734042 /nfs/dbraw/zinc/73/40/42/1098734042.db2.gz ZUOKXZSXFBWGKT-OYRHEFFESA-N 2 1 306.453 3.123 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c12 ZINC001234990643 1098735758 /nfs/dbraw/zinc/73/57/58/1098735758.db2.gz BXAUXAURLPGERR-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c12 ZINC001234990643 1098735768 /nfs/dbraw/zinc/73/57/68/1098735768.db2.gz BXAUXAURLPGERR-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP c1ccc(COCCCCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234993432 1098738088 /nfs/dbraw/zinc/73/80/88/1098738088.db2.gz NQZXNVSLTLYQTN-HXUWFJFHSA-N 2 1 316.489 3.449 20 0 DGADMP Clc1cccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c21 ZINC001234995138 1098738189 /nfs/dbraw/zinc/73/81/89/1098738189.db2.gz YFBLUVCSSJQQQB-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2[nH]cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c21 ZINC001234995138 1098738201 /nfs/dbraw/zinc/73/82/01/1098738201.db2.gz YFBLUVCSSJQQQB-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235004770 1098747414 /nfs/dbraw/zinc/74/74/14/1098747414.db2.gz CCBWABSHCCPNOR-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235004770 1098747418 /nfs/dbraw/zinc/74/74/18/1098747418.db2.gz CCBWABSHCCPNOR-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)s2)cc1 ZINC001235026821 1098756867 /nfs/dbraw/zinc/75/68/67/1098756867.db2.gz TWRLGMCQJSPOBH-WMLDXEAASA-N 2 1 314.454 3.217 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)s2)cc1 ZINC001235026821 1098756871 /nfs/dbraw/zinc/75/68/71/1098756871.db2.gz TWRLGMCQJSPOBH-WMLDXEAASA-N 2 1 314.454 3.217 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235031726 1098760797 /nfs/dbraw/zinc/76/07/97/1098760797.db2.gz GGOHNZQYGNKOLQ-OAQYLSRUSA-N 2 1 306.453 3.463 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235031838 1098761270 /nfs/dbraw/zinc/76/12/70/1098761270.db2.gz PEIJTVVILJJQPO-AZUAARDMSA-N 2 1 320.521 3.340 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c(C)c1 ZINC001235087340 1098791330 /nfs/dbraw/zinc/79/13/30/1098791330.db2.gz GDACMPFBYMDKDQ-KRWDZBQOSA-N 2 1 308.416 3.433 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091857 1098793159 /nfs/dbraw/zinc/79/31/59/1098793159.db2.gz DEMBPFJBUKPUBA-UHFFFAOYSA-N 2 1 324.509 3.356 20 0 DGADMP Cc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC001235093987 1098795170 /nfs/dbraw/zinc/79/51/70/1098795170.db2.gz VTWZFYBXNZDHOB-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC(C)C ZINC001235093950 1098795275 /nfs/dbraw/zinc/79/52/75/1098795275.db2.gz TVWZVWKLGRMSER-UHFFFAOYSA-N 2 1 302.462 3.358 20 0 DGADMP Fc1ccc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235092975 1098796299 /nfs/dbraw/zinc/79/62/99/1098796299.db2.gz NBCHMANHQIMEDN-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235092975 1098796308 /nfs/dbraw/zinc/79/63/08/1098796308.db2.gz NBCHMANHQIMEDN-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1cc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001235094482 1098799064 /nfs/dbraw/zinc/79/90/64/1098799064.db2.gz XTGWXFRCSZDKHA-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001235094482 1098799077 /nfs/dbraw/zinc/79/90/77/1098799077.db2.gz XTGWXFRCSZDKHA-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094512 1098799101 /nfs/dbraw/zinc/79/91/01/1098799101.db2.gz YXGBDFQWYYRFSJ-UHFFFAOYSA-N 2 1 302.462 3.358 20 0 DGADMP CC(C)Oc1cc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC001235106023 1098804832 /nfs/dbraw/zinc/80/48/32/1098804832.db2.gz JXAHZQCYNVRWMD-UHFFFAOYSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1cc(Cl)cc(F)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235104400 1098805180 /nfs/dbraw/zinc/80/51/80/1098805180.db2.gz QTPNMWJNWLKTOH-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(C)c1OC(C)C ZINC001235109443 1098809879 /nfs/dbraw/zinc/80/98/79/1098809879.db2.gz FGJAUWYIOHYLNC-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235151831 1098836760 /nfs/dbraw/zinc/83/67/60/1098836760.db2.gz BTDSIKXQPNJFET-KRWDZBQOSA-N 2 1 312.379 3.458 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC3(CCc4ccccc43)CC2)CO1 ZINC001235152332 1098837945 /nfs/dbraw/zinc/83/79/45/1098837945.db2.gz MCHDEGNTHFUFPM-KRWDZBQOSA-N 2 1 314.473 3.081 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(OC)c1 ZINC001235153243 1098840224 /nfs/dbraw/zinc/84/02/24/1098840224.db2.gz IVDBSVFXVWYFGE-LJQANCHMSA-N 2 1 318.461 3.058 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154396 1098840354 /nfs/dbraw/zinc/84/03/54/1098840354.db2.gz LLPXGNDXXGAKEG-FQEVSTJZSA-N 2 1 324.472 3.226 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156456 1098843066 /nfs/dbraw/zinc/84/30/66/1098843066.db2.gz QAKUYDVQBWMLSG-IBGZPJMESA-N 2 1 301.478 3.107 20 0 DGADMP COc1cc(F)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235161586 1098847013 /nfs/dbraw/zinc/84/70/13/1098847013.db2.gz TWVSOWZSFQSTKT-KRWDZBQOSA-N 2 1 306.425 3.188 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235161546 1098847657 /nfs/dbraw/zinc/84/76/57/1098847657.db2.gz SSRCJIMBAUQKAC-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235160865 1098847716 /nfs/dbraw/zinc/84/77/16/1098847716.db2.gz RKTXWZNNHQQFDT-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP c1cn(CC[N@@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001277930560 1098876366 /nfs/dbraw/zinc/87/63/66/1098876366.db2.gz OICFERSHSMNLBI-IBGZPJMESA-N 2 1 316.493 3.004 20 0 DGADMP c1cn(CC[N@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001277930560 1098876377 /nfs/dbraw/zinc/87/63/77/1098876377.db2.gz OICFERSHSMNLBI-IBGZPJMESA-N 2 1 316.493 3.004 20 0 DGADMP c1cn(CC[NH+]2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)cn1 ZINC001277930560 1098876389 /nfs/dbraw/zinc/87/63/89/1098876389.db2.gz OICFERSHSMNLBI-IBGZPJMESA-N 2 1 316.493 3.004 20 0 DGADMP c1cn(CC[NH+]2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)cn1 ZINC001277930560 1098876397 /nfs/dbraw/zinc/87/63/97/1098876397.db2.gz OICFERSHSMNLBI-IBGZPJMESA-N 2 1 316.493 3.004 20 0 DGADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC001235210134 1098882012 /nfs/dbraw/zinc/88/20/12/1098882012.db2.gz KZCSPDDGPXXCCI-PMOLBWCYSA-N 2 1 307.441 3.152 20 0 DGADMP Oc1c(F)cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235226603 1098898431 /nfs/dbraw/zinc/89/84/31/1098898431.db2.gz CUUDDOQZMKYGKO-MRXNPFEDSA-N 2 1 310.388 3.025 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235228454 1098901885 /nfs/dbraw/zinc/90/18/85/1098901885.db2.gz MTUHLRUIDYLXGM-GOSISDBHSA-N 2 1 324.415 3.328 20 0 DGADMP COc1c(F)cc(F)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235239294 1098911337 /nfs/dbraw/zinc/91/13/37/1098911337.db2.gz JPIFOOCIMCEPAY-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1cc(Cl)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235240086 1098913693 /nfs/dbraw/zinc/91/36/93/1098913693.db2.gz VPANLXUMPNZNBZ-OAHLLOKOSA-N 2 1 311.832 3.228 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCCCOCc1ccccc1)C2 ZINC001235239990 1098913831 /nfs/dbraw/zinc/91/38/31/1098913831.db2.gz HWKPBLGUEXCKSY-RTBURBONSA-N 2 1 302.462 3.187 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1cccc(Br)c1)C2 ZINC001235240061 1098914650 /nfs/dbraw/zinc/91/46/50/1098914650.db2.gz LDGAXPNHBOJKAK-GDBMZVCRSA-N 2 1 323.278 3.195 20 0 DGADMP CCOC(C)(C)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248664 1098921748 /nfs/dbraw/zinc/92/17/48/1098921748.db2.gz YAPPHIUAFGITGW-IEBWSBKVSA-N 2 1 302.462 3.023 20 0 DGADMP CCOC(C)(C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248664 1098921763 /nfs/dbraw/zinc/92/17/63/1098921763.db2.gz YAPPHIUAFGITGW-IEBWSBKVSA-N 2 1 302.462 3.023 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235262339 1098932888 /nfs/dbraw/zinc/93/28/88/1098932888.db2.gz LABIIXUHBSHQFC-QUCCMNQESA-N 2 1 308.425 3.243 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C(C)C ZINC001235267799 1098940185 /nfs/dbraw/zinc/94/01/85/1098940185.db2.gz JDSMJWDMDCKMCO-CRAIPNDOSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C(C)C ZINC001235267799 1098940193 /nfs/dbraw/zinc/94/01/93/1098940193.db2.gz JDSMJWDMDCKMCO-CRAIPNDOSA-N 2 1 302.462 3.311 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc4ccc(-c5ccccc5)nc4c3)C[C@@H]12 ZINC001235284626 1098941770 /nfs/dbraw/zinc/94/17/70/1098941770.db2.gz OPSGCIVHNSKNMO-RMFSNUHRSA-N 2 1 315.420 3.291 20 0 DGADMP Fc1c(Cl)ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1F ZINC001235338074 1098962310 /nfs/dbraw/zinc/96/23/10/1098962310.db2.gz ASHZMFJULJPZLA-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235340007 1098964092 /nfs/dbraw/zinc/96/40/92/1098964092.db2.gz GLAVGLNGGGCJTQ-SNVBAGLBSA-N 2 1 318.770 3.400 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235340188 1098964788 /nfs/dbraw/zinc/96/47/88/1098964788.db2.gz ILVKHCGPCIZCQL-KRWDZBQOSA-N 2 1 302.462 3.297 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235341100 1098965007 /nfs/dbraw/zinc/96/50/07/1098965007.db2.gz NMUCQFXVQDRZEX-GFCCVEGCSA-N 2 1 316.392 3.340 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)c2)cc1 ZINC001235340451 1098965561 /nfs/dbraw/zinc/96/55/61/1098965561.db2.gz JINGGRPXHRTXCJ-IBGZPJMESA-N 2 1 322.452 3.307 20 0 DGADMP Fc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342994 1098967079 /nfs/dbraw/zinc/96/70/79/1098967079.db2.gz ZHAGUFKMOFZUGT-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP Fc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342994 1098967084 /nfs/dbraw/zinc/96/70/84/1098967084.db2.gz ZHAGUFKMOFZUGT-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP C[N@@H+](Cc1cc(F)c(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001235345607 1098969250 /nfs/dbraw/zinc/96/92/50/1098969250.db2.gz DHCBHNDYTIDPSB-UHFFFAOYSA-N 2 1 304.331 3.017 20 0 DGADMP C[N@H+](Cc1cc(F)c(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001235345607 1098969258 /nfs/dbraw/zinc/96/92/58/1098969258.db2.gz DHCBHNDYTIDPSB-UHFFFAOYSA-N 2 1 304.331 3.017 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235368341 1098984617 /nfs/dbraw/zinc/98/46/17/1098984617.db2.gz VQWJKAJZFWSHLL-RTWAWAEBSA-N 2 1 306.453 3.440 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369310 1098984669 /nfs/dbraw/zinc/98/46/69/1098984669.db2.gz YGWHWYHTRHPJMX-UYAOXDASSA-N 2 1 316.489 3.055 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cc1 ZINC001235398065 1098993151 /nfs/dbraw/zinc/99/31/51/1098993151.db2.gz SRNWMMSHGUFQSZ-ROUUACIJSA-N 2 1 304.453 3.394 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1OC(C)C ZINC001235403757 1099001930 /nfs/dbraw/zinc/00/19/30/1099001930.db2.gz LJRIDHYUSIQGTQ-MJGOQNOKSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1OC(C)C ZINC001235403757 1099001941 /nfs/dbraw/zinc/00/19/41/1099001941.db2.gz LJRIDHYUSIQGTQ-MJGOQNOKSA-N 2 1 320.452 3.306 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc(CC)c1O ZINC001235408122 1099003673 /nfs/dbraw/zinc/00/36/73/1099003673.db2.gz UFMRMVZPFRELNK-MJGOQNOKSA-N 2 1 320.452 3.041 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc(CC)c1O ZINC001235408122 1099003683 /nfs/dbraw/zinc/00/36/83/1099003683.db2.gz UFMRMVZPFRELNK-MJGOQNOKSA-N 2 1 320.452 3.041 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OC(C)C ZINC001235409330 1099007130 /nfs/dbraw/zinc/00/71/30/1099007130.db2.gz WKYHZJCWKFICFR-RBUKOAKNSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OC(C)C ZINC001235409330 1099007141 /nfs/dbraw/zinc/00/71/41/1099007141.db2.gz WKYHZJCWKFICFR-RBUKOAKNSA-N 2 1 320.452 3.306 20 0 DGADMP Fc1cccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235422283 1099012372 /nfs/dbraw/zinc/01/23/72/1099012372.db2.gz BCFDAAJUFXATHI-MSOLQXFVSA-N 2 1 304.453 3.470 20 0 DGADMP c1cn(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC001235421734 1099013751 /nfs/dbraw/zinc/01/37/51/1099013751.db2.gz BZLKQZXYOUJXGU-MOPGFXCFSA-N 2 1 324.472 3.084 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425135 1099015225 /nfs/dbraw/zinc/01/52/25/1099015225.db2.gz IIZXCCFTJHEFDB-WMZOPIPTSA-N 2 1 302.462 3.215 20 0 DGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426118 1099018471 /nfs/dbraw/zinc/01/84/71/1099018471.db2.gz NHDKAWRIYDMPBH-ZWKOTPCHSA-N 3 1 307.526 3.010 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427391 1099019205 /nfs/dbraw/zinc/01/92/05/1099019205.db2.gz RLQRZZMIUCTGRO-IRXDYDNUSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429106 1099022059 /nfs/dbraw/zinc/02/20/59/1099022059.db2.gz XFAQVXFQLJBHRX-CABCVRRESA-N 2 1 308.416 3.485 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429162 1099022973 /nfs/dbraw/zinc/02/29/73/1099022973.db2.gz PRJBQPUHOMIDBW-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235429110 1099023105 /nfs/dbraw/zinc/02/31/05/1099023105.db2.gz XFZTVJSDHJVGLL-CHWSQXEVSA-N 2 1 312.379 3.316 20 0 DGADMP CCCOc1ncccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429647 1099023904 /nfs/dbraw/zinc/02/39/04/1099023904.db2.gz UVJVAXOOORJBJN-IRXDYDNUSA-N 2 1 317.477 3.082 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235430819 1099024243 /nfs/dbraw/zinc/02/42/43/1099024243.db2.gz YCXUKSBGEUQBAG-OALUTQOASA-N 2 1 302.462 3.045 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cnc1C1CC1 ZINC001235430188 1099026104 /nfs/dbraw/zinc/02/61/04/1099026104.db2.gz GPBGGQPCPJTXJZ-MOPGFXCFSA-N 2 1 313.489 3.479 20 0 DGADMP Cn1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2ccccc21 ZINC001235430365 1099026272 /nfs/dbraw/zinc/02/62/72/1099026272.db2.gz SGKAEJMGZUQYAI-ROUUACIJSA-N 2 1 311.473 3.390 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431945 1099028822 /nfs/dbraw/zinc/02/88/22/1099028822.db2.gz PORFEWUITZWPGH-HZPDHXFCSA-N 2 1 320.452 3.354 20 0 DGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235432735 1099029847 /nfs/dbraw/zinc/02/98/47/1099029847.db2.gz XVPHQUZCRHBNLE-GJZGRUSLSA-N 2 1 308.416 3.485 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC001179259173 1099049665 /nfs/dbraw/zinc/04/96/65/1099049665.db2.gz TXWBGQBRAQYFCB-UHFFFAOYSA-N 2 1 317.339 3.291 20 0 DGADMP CC(C)Oc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(OC(C)C)c1 ZINC001235467353 1099050772 /nfs/dbraw/zinc/05/07/72/1099050772.db2.gz YTLVUDQLMJNGSH-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP CC(C)Oc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(OC(C)C)c1 ZINC001235467353 1099050785 /nfs/dbraw/zinc/05/07/85/1099050785.db2.gz YTLVUDQLMJNGSH-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCCCCO)CC2 ZINC001235483215 1099061078 /nfs/dbraw/zinc/06/10/78/1099061078.db2.gz PTXKOGMVUBRUCW-SFHVURJKSA-N 2 1 320.477 3.119 20 0 DGADMP c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235674022 1099117869 /nfs/dbraw/zinc/11/78/69/1099117869.db2.gz KSIQCJIYBCLZEA-HXUWFJFHSA-N 2 1 321.468 3.433 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001235675042 1099117925 /nfs/dbraw/zinc/11/79/25/1099117925.db2.gz HXKPJLUVEAKGER-GFCCVEGCSA-N 2 1 320.330 3.094 20 0 DGADMP Fc1ccc(OC2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235675102 1099118815 /nfs/dbraw/zinc/11/88/15/1099118815.db2.gz OLTTWXQGLOQYSV-HNNXBMFYSA-N 2 1 324.415 3.340 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(CCc3ccccc3)CC2)O1 ZINC001235676273 1099119505 /nfs/dbraw/zinc/11/95/05/1099119505.db2.gz RCBWQJTUOUKOQW-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235688888 1099128121 /nfs/dbraw/zinc/12/81/21/1099128121.db2.gz UVRCBNMKNZHGOJ-OAHLLOKOSA-N 2 1 316.367 3.158 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235688888 1099128128 /nfs/dbraw/zinc/12/81/28/1099128128.db2.gz UVRCBNMKNZHGOJ-OAHLLOKOSA-N 2 1 316.367 3.158 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235714213 1099142212 /nfs/dbraw/zinc/14/22/12/1099142212.db2.gz UPNKBECZOLAKMA-UHFFFAOYSA-N 2 1 309.457 3.091 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235714213 1099142218 /nfs/dbraw/zinc/14/22/18/1099142218.db2.gz UPNKBECZOLAKMA-UHFFFAOYSA-N 2 1 309.457 3.091 20 0 DGADMP COc1ncc(C[N@@H+](C)CCC2CC[NH2+]CC2)c2ccccc21 ZINC001235717571 1099143115 /nfs/dbraw/zinc/14/31/15/1099143115.db2.gz KNKBWPMDUKJQEZ-UHFFFAOYSA-N 2 1 313.445 3.065 20 0 DGADMP COc1cccc([C@H]2CCCC[N@H+]2CC2(F)CC[NH2+]CC2)c1 ZINC001235724145 1099147604 /nfs/dbraw/zinc/14/76/04/1099147604.db2.gz CHBCKNGOTKHQDC-QGZVFWFLSA-N 2 1 306.425 3.314 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2CCCCCC[NH3+])cc1 ZINC001235725072 1099147735 /nfs/dbraw/zinc/14/77/35/1099147735.db2.gz GBSODDHBYSRJIZ-QGZVFWFLSA-N 2 1 308.491 3.304 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001235751152 1099165245 /nfs/dbraw/zinc/16/52/45/1099165245.db2.gz VZFGRQYBSZWCOY-CQSZACIVSA-N 2 1 302.368 3.412 20 0 DGADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2CC[C@H]2C[NH2+]CCO2)cc1 ZINC001235797519 1099186198 /nfs/dbraw/zinc/18/61/98/1099186198.db2.gz XKFYAILOZSQFHI-FPOVZHCZSA-N 2 1 322.452 3.013 20 0 DGADMP COCCC[N@H+](Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001235808992 1099189769 /nfs/dbraw/zinc/18/97/69/1099189769.db2.gz WMRIMFJWPDTOSE-LJQANCHMSA-N 2 1 312.457 3.430 20 0 DGADMP COCCC[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001235808992 1099189774 /nfs/dbraw/zinc/18/97/74/1099189774.db2.gz WMRIMFJWPDTOSE-LJQANCHMSA-N 2 1 312.457 3.430 20 0 DGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CC2(F)CC[NH2+]CC2)cc1 ZINC001235840076 1099202658 /nfs/dbraw/zinc/20/26/58/1099202658.db2.gz JRRVIMAJXLNFJG-KRWDZBQOSA-N 2 1 306.425 3.314 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCc1ccccc1Cl ZINC001235839456 1099202872 /nfs/dbraw/zinc/20/28/72/1099202872.db2.gz SJKDXEJSOPQKDN-TZMCWYRMSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCc1ccccc1Cl ZINC001235839456 1099202876 /nfs/dbraw/zinc/20/28/76/1099202876.db2.gz SJKDXEJSOPQKDN-TZMCWYRMSA-N 2 1 316.823 3.305 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841287 1099203867 /nfs/dbraw/zinc/20/38/67/1099203867.db2.gz CYLSVGMXJOEVJM-ZDUSSCGKSA-N 2 1 311.267 3.107 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001235841744 1099204457 /nfs/dbraw/zinc/20/44/57/1099204457.db2.gz IOIJQDDIPPAAMA-SNVBAGLBSA-N 2 1 306.759 3.400 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001235841744 1099204460 /nfs/dbraw/zinc/20/44/60/1099204460.db2.gz IOIJQDDIPPAAMA-SNVBAGLBSA-N 2 1 306.759 3.400 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001235841095 1099204566 /nfs/dbraw/zinc/20/45/66/1099204566.db2.gz VRBKPQHMAORIMB-SFHVURJKSA-N 2 1 323.484 3.461 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)ccc21 ZINC001235842323 1099206589 /nfs/dbraw/zinc/20/65/89/1099206589.db2.gz NSBARSPEFVQNDX-MRXNPFEDSA-N 2 1 307.441 3.373 20 0 DGADMP C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001235842573 1099207253 /nfs/dbraw/zinc/20/72/53/1099207253.db2.gz OXIJSMGLUYWMQU-ZDUSSCGKSA-N 2 1 301.261 3.467 20 0 DGADMP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235842898 1099207340 /nfs/dbraw/zinc/20/73/40/1099207340.db2.gz TXHGYRJDWSSUSJ-SNVBAGLBSA-N 2 1 306.759 3.400 20 0 DGADMP C[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235842898 1099207342 /nfs/dbraw/zinc/20/73/42/1099207342.db2.gz TXHGYRJDWSSUSJ-SNVBAGLBSA-N 2 1 306.759 3.400 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001179814537 1099211276 /nfs/dbraw/zinc/21/12/76/1099211276.db2.gz AIRPHWLRMAOUKQ-VBNZEHGJSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001179814537 1099211284 /nfs/dbraw/zinc/21/12/84/1099211284.db2.gz AIRPHWLRMAOUKQ-VBNZEHGJSA-N 2 1 308.853 3.169 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001235925161 1099260980 /nfs/dbraw/zinc/26/09/80/1099260980.db2.gz JSOIOTCEDYCBBQ-AWEZNQCLSA-N 2 1 322.250 3.244 20 0 DGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@H]3CC[NH3+])c2c1 ZINC001235925186 1099261545 /nfs/dbraw/zinc/26/15/45/1099261545.db2.gz DMTICKYQTMZCOW-HNNXBMFYSA-N 2 1 314.429 3.170 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c2c(OC)cccc12 ZINC001235924926 1099262049 /nfs/dbraw/zinc/26/20/49/1099262049.db2.gz CRKAVHJNMWSRCD-HNNXBMFYSA-N 2 1 314.429 3.170 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929118 1099264322 /nfs/dbraw/zinc/26/43/22/1099264322.db2.gz IFUBASBYKLGLCI-GJZGRUSLSA-N 2 1 312.379 3.179 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001235929092 1099265110 /nfs/dbraw/zinc/26/51/10/1099265110.db2.gz HRDUAAOICQPXRI-FHWLQOOXSA-N 2 1 320.521 3.195 20 0 DGADMP c1ccc(C(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC001235929748 1099265423 /nfs/dbraw/zinc/26/54/23/1099265423.db2.gz RVKPEEBXQOYJIO-PMACEKPBSA-N 2 1 306.453 3.360 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929351 1099265709 /nfs/dbraw/zinc/26/57/09/1099265709.db2.gz MPSMPPIJWUXIBX-HUUCEWRRSA-N 2 1 312.379 3.179 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235936348 1099271030 /nfs/dbraw/zinc/27/10/30/1099271030.db2.gz GQQVEPLOGAHSCO-LEWJYISDSA-N 2 1 306.453 3.319 20 0 DGADMP COCCC[N@@H+](Cc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC001235939675 1099274361 /nfs/dbraw/zinc/27/43/61/1099274361.db2.gz GEUHRBRRASFSCH-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP COCC[N@H+](Cc1c(C)cc(Cl)cc1C)C1CC[NH2+]CC1 ZINC001235941770 1099276637 /nfs/dbraw/zinc/27/66/37/1099276637.db2.gz AFNUIUSBOKWUMQ-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP COCC[N@@H+](Cc1c(C)cc(Cl)cc1C)C1CC[NH2+]CC1 ZINC001235941770 1099276643 /nfs/dbraw/zinc/27/66/43/1099276643.db2.gz AFNUIUSBOKWUMQ-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235958029 1099288300 /nfs/dbraw/zinc/28/83/00/1099288300.db2.gz CBBHWFLDLCVHML-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956998 1099288521 /nfs/dbraw/zinc/28/85/21/1099288521.db2.gz JHEZZRJQNDAQPX-LBPRGKRZSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956998 1099288532 /nfs/dbraw/zinc/28/85/32/1099288532.db2.gz JHEZZRJQNDAQPX-LBPRGKRZSA-N 2 1 320.330 3.156 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001235958052 1099289017 /nfs/dbraw/zinc/28/90/17/1099289017.db2.gz DPNUUYCWWBENAJ-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235957807 1099289393 /nfs/dbraw/zinc/28/93/93/1099289393.db2.gz UONKRFMAZAJTQR-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235957807 1099289400 /nfs/dbraw/zinc/28/94/00/1099289400.db2.gz UONKRFMAZAJTQR-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP CCOc1c(F)cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001235958142 1099289525 /nfs/dbraw/zinc/28/95/25/1099289525.db2.gz WPUOLHUXYRWCBQ-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001235958142 1099289534 /nfs/dbraw/zinc/28/95/34/1099289534.db2.gz WPUOLHUXYRWCBQ-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC001235968242 1099298636 /nfs/dbraw/zinc/29/86/36/1099298636.db2.gz GGRHBZSVRAIOBT-SFHVURJKSA-N 2 1 322.880 3.277 20 0 DGADMP Clc1ccc(OC2CC[NH+](CC3C[NH2+]C3)CC2)cc1Cl ZINC001235970890 1099299480 /nfs/dbraw/zinc/29/94/80/1099299480.db2.gz URFXGPPCOSVCRS-UHFFFAOYSA-N 2 1 315.244 3.056 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975219 1099303389 /nfs/dbraw/zinc/30/33/89/1099303389.db2.gz RNCZXXJVIFSHTH-UHFFFAOYSA-N 2 1 314.473 3.129 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235979848 1099307956 /nfs/dbraw/zinc/30/79/56/1099307956.db2.gz LICUWXPXPBNXOO-QUCCMNQESA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235979848 1099307966 /nfs/dbraw/zinc/30/79/66/1099307966.db2.gz LICUWXPXPBNXOO-QUCCMNQESA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235981027 1099308813 /nfs/dbraw/zinc/30/88/13/1099308813.db2.gz OUGBFKUITHSINR-ICSRJNTNSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235981027 1099308824 /nfs/dbraw/zinc/30/88/24/1099308824.db2.gz OUGBFKUITHSINR-ICSRJNTNSA-N 2 1 308.425 3.285 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236007470 1099329236 /nfs/dbraw/zinc/32/92/36/1099329236.db2.gz CUVLOJZWMFFDIW-UHFFFAOYSA-N 2 1 314.351 3.161 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236008448 1099331807 /nfs/dbraw/zinc/33/18/07/1099331807.db2.gz LOWDTLGEBGARON-ROUUACIJSA-N 2 1 304.453 3.470 20 0 DGADMP Clc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012502 1099335543 /nfs/dbraw/zinc/33/55/43/1099335543.db2.gz MYDJSERVAYEGPQ-MJGOQNOKSA-N 2 1 312.844 3.313 20 0 DGADMP Clc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012502 1099335555 /nfs/dbraw/zinc/33/55/55/1099335555.db2.gz MYDJSERVAYEGPQ-MJGOQNOKSA-N 2 1 312.844 3.313 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001180208771 1099342372 /nfs/dbraw/zinc/34/23/72/1099342372.db2.gz QLHIZZCZFOLPDJ-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP [NH3+]CCCCCC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001236042039 1099342821 /nfs/dbraw/zinc/34/28/21/1099342821.db2.gz LCYXPTIIZHISHN-UHFFFAOYSA-N 2 1 319.276 3.307 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045511 1099347079 /nfs/dbraw/zinc/34/70/79/1099347079.db2.gz VOCXXDPCQCOSFN-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045511 1099347089 /nfs/dbraw/zinc/34/70/89/1099347089.db2.gz VOCXXDPCQCOSFN-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236066814 1099366678 /nfs/dbraw/zinc/36/66/78/1099366678.db2.gz LCLCQBDKGJYJQE-GFCCVEGCSA-N 2 1 304.381 3.340 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236066814 1099366690 /nfs/dbraw/zinc/36/66/90/1099366690.db2.gz LCLCQBDKGJYJQE-GFCCVEGCSA-N 2 1 304.381 3.340 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(n3ccc4ccccc43)CC2)O1 ZINC001236072020 1099370009 /nfs/dbraw/zinc/37/00/09/1099370009.db2.gz CDXZPSGFEGDEPW-KRWDZBQOSA-N 2 1 313.445 3.003 20 0 DGADMP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)CCCCC[NH3+] ZINC001236091546 1099380883 /nfs/dbraw/zinc/38/08/83/1099380883.db2.gz WABITQPVFWVUID-SFHVURJKSA-N 2 1 320.477 3.205 20 0 DGADMP COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](C)[NH3+])cc1 ZINC001236106177 1099395056 /nfs/dbraw/zinc/39/50/56/1099395056.db2.gz BJOQTNVVNBMCEM-DLBZAZTESA-N 2 1 312.457 3.476 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001236143391 1099429779 /nfs/dbraw/zinc/42/97/79/1099429779.db2.gz GBZREPAEVUXGMY-DYVFJYSZSA-N 2 1 324.415 3.062 20 0 DGADMP C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)[N@H+](C)CC1C[NH2+]C1 ZINC001236162211 1099439214 /nfs/dbraw/zinc/43/92/14/1099439214.db2.gz ZTTKBSUDNXZYQJ-JXFKEZNVSA-N 2 1 310.441 3.346 20 0 DGADMP C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)CC1C[NH2+]C1 ZINC001236162211 1099439217 /nfs/dbraw/zinc/43/92/17/1099439217.db2.gz ZTTKBSUDNXZYQJ-JXFKEZNVSA-N 2 1 310.441 3.346 20 0 DGADMP CCC[N@@H+](Cc1cn(C)c2ccc(OC)cc12)C1CC[NH2+]CC1 ZINC001236182677 1099452947 /nfs/dbraw/zinc/45/29/47/1099452947.db2.gz SRNHBUUAJMETAV-UHFFFAOYSA-N 2 1 315.461 3.151 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213260 1099468677 /nfs/dbraw/zinc/46/86/77/1099468677.db2.gz AQTXIUUAQZUROV-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213260 1099468680 /nfs/dbraw/zinc/46/86/80/1099468680.db2.gz AQTXIUUAQZUROV-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215082 1099472442 /nfs/dbraw/zinc/47/24/42/1099472442.db2.gz HFUONXAJTKGSGZ-NVXWUHKLSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215082 1099472449 /nfs/dbraw/zinc/47/24/49/1099472449.db2.gz HFUONXAJTKGSGZ-NVXWUHKLSA-N 2 1 318.852 3.227 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC[NH2+]CCC1 ZINC001236239596 1099493684 /nfs/dbraw/zinc/49/36/84/1099493684.db2.gz HZKNTKUJLCAVET-UHFFFAOYSA-N 2 1 302.340 3.079 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1F)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236240209 1099493698 /nfs/dbraw/zinc/49/36/98/1099493698.db2.gz JQYUYIVVLAQIJE-DGCLKSJQSA-N 2 1 318.358 3.278 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1F)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236240209 1099493702 /nfs/dbraw/zinc/49/37/02/1099493702.db2.gz JQYUYIVVLAQIJE-DGCLKSJQSA-N 2 1 318.358 3.278 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCSc2ccccc2C1 ZINC001236241241 1099495393 /nfs/dbraw/zinc/49/53/93/1099495393.db2.gz RDPFTEBLHIWDME-GXTWGEPZSA-N 2 1 312.429 3.085 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCSc2ccccc2C1 ZINC001236241241 1099495397 /nfs/dbraw/zinc/49/53/97/1099495397.db2.gz RDPFTEBLHIWDME-GXTWGEPZSA-N 2 1 312.429 3.085 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001236245292 1099498956 /nfs/dbraw/zinc/49/89/56/1099498956.db2.gz SJFMMEQWOJDQQM-UHFFFAOYSA-N 2 1 302.340 3.072 20 0 DGADMP CC[N@@H+](Cc1ccc(C)cc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236246175 1099500577 /nfs/dbraw/zinc/50/05/77/1099500577.db2.gz YPMRXTYQXDCLPP-UHFFFAOYSA-N 2 1 323.484 3.427 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc2c1NCCC2)[NH+]1CCCCC1 ZINC001180809175 1099509810 /nfs/dbraw/zinc/50/98/10/1099509810.db2.gz BWRJVOFPXIILPH-INIZCTEOSA-N 2 1 301.478 3.399 20 0 DGADMP c1[nH+]c(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c2ccccn12 ZINC001236269558 1099511602 /nfs/dbraw/zinc/51/16/02/1099511602.db2.gz IDWHCLIHLIPRFW-SFHVURJKSA-N 2 1 320.440 3.089 20 0 DGADMP c1ccc(C[N@@H+](CCCc2cccnc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236270419 1099512549 /nfs/dbraw/zinc/51/25/49/1099512549.db2.gz RRDMQJQMYODZBV-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@H+](CCCc2cccnc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236270419 1099512558 /nfs/dbraw/zinc/51/25/58/1099512558.db2.gz RRDMQJQMYODZBV-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@@H+](Cc2cccc3c2CCN3)C2CC[NH2+]CC2)cc1 ZINC001236300631 1099524094 /nfs/dbraw/zinc/52/40/94/1099524094.db2.gz IGLYBRSWKDEYJM-UHFFFAOYSA-N 2 1 321.468 3.409 20 0 DGADMP Clc1ccccc1[C@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236314239 1099529322 /nfs/dbraw/zinc/52/93/22/1099529322.db2.gz IXUMNVRRUAERAI-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236314239 1099529327 /nfs/dbraw/zinc/52/93/27/1099529327.db2.gz IXUMNVRRUAERAI-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320882 1099533899 /nfs/dbraw/zinc/53/38/99/1099533899.db2.gz LIRFWHPTUUTHSI-HDICACEKSA-N 2 1 307.441 3.180 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319645 1099533998 /nfs/dbraw/zinc/53/39/98/1099533998.db2.gz CDDYFDOUSGSSJY-GASCZTMLSA-N 2 1 313.470 3.242 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320252 1099534247 /nfs/dbraw/zinc/53/42/47/1099534247.db2.gz OEXJMRWBWQZLFV-OKILXGFUSA-N 2 1 312.379 3.445 20 0 DGADMP CCCn1ncc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1C ZINC001236372728 1099556986 /nfs/dbraw/zinc/55/69/86/1099556986.db2.gz DAIMZJZOEDNHAK-KRWDZBQOSA-N 2 1 318.509 3.346 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372702 1099557567 /nfs/dbraw/zinc/55/75/67/1099557567.db2.gz SZSDEQPRJAMKRV-DLBZAZTESA-N 2 1 324.509 3.210 20 0 DGADMP CCOc1ccncc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373729 1099558138 /nfs/dbraw/zinc/55/81/38/1099558138.db2.gz KRUARMRCCKFUJB-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP CCOc1ccncc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373729 1099558149 /nfs/dbraw/zinc/55/81/49/1099558149.db2.gz KRUARMRCCKFUJB-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP c1ccc2[nH]c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236374060 1099560133 /nfs/dbraw/zinc/56/01/33/1099560133.db2.gz OPISDPYYXJUXMT-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc2[nH]c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236374060 1099560142 /nfs/dbraw/zinc/56/01/42/1099560142.db2.gz OPISDPYYXJUXMT-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP c1[nH]nc2cccc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c12 ZINC001236376975 1099564155 /nfs/dbraw/zinc/56/41/55/1099564155.db2.gz WZPDNYTVQIYMRB-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP Oc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1F ZINC001236376192 1099565590 /nfs/dbraw/zinc/56/55/90/1099565590.db2.gz QMKYBSQSWCHAKJ-OAHLLOKOSA-N 2 1 306.425 3.276 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413124 1099587902 /nfs/dbraw/zinc/58/79/02/1099587902.db2.gz CIJUZBCWUJWCRQ-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001236413124 1099587909 /nfs/dbraw/zinc/58/79/09/1099587909.db2.gz CIJUZBCWUJWCRQ-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP c1c(C[N@H+]2CCOC[C@H]2C2CCCCC2)sc2c1C[NH2+]CC2 ZINC001236432926 1099609100 /nfs/dbraw/zinc/60/91/00/1099609100.db2.gz FVTAXYRTPQYALX-KRWDZBQOSA-N 2 1 320.502 3.175 20 0 DGADMP c1c(C[N@H+]2CCOC[C@H]2C2CCCCC2)sc2c1CC[NH2+]C2 ZINC001236432865 1099609174 /nfs/dbraw/zinc/60/91/74/1099609174.db2.gz DTBQXOJJXZCQPM-KRWDZBQOSA-N 2 1 320.502 3.175 20 0 DGADMP c1cc(C[N@H+]2CCOC[C@H]2C2CCCCC2)cc2c1C[NH2+]C2 ZINC001236434339 1099610581 /nfs/dbraw/zinc/61/05/81/1099610581.db2.gz OUSMQFYVOLRTHG-IBGZPJMESA-N 2 1 300.446 3.071 20 0 DGADMP Clc1cc2cccnc2c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000155833843 1099616998 /nfs/dbraw/zinc/61/69/98/1099616998.db2.gz VAGFDONOBLZWAK-ZDUSSCGKSA-N 2 1 315.848 3.462 20 0 DGADMP CCOCC[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH2+]CC1 ZINC001236459637 1099623071 /nfs/dbraw/zinc/62/30/71/1099623071.db2.gz BXDUYTNXQQMOSG-UHFFFAOYSA-N 2 1 318.505 3.445 20 0 DGADMP CCOCC[N@@H+](CCCCc1ccccc1)C1CC[NH2+]CC1 ZINC001236460774 1099625149 /nfs/dbraw/zinc/62/51/49/1099625149.db2.gz RHIITGOPBREYIY-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP CCOCC[N@H+](Cc1ccc2ccsc2c1)C1CC[NH2+]CC1 ZINC001236462787 1099626734 /nfs/dbraw/zinc/62/67/34/1099626734.db2.gz XCMMOZMGLSHVEU-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CCOCC[N@@H+](Cc1ccc2ccsc2c1)C1CC[NH2+]CC1 ZINC001236462787 1099626737 /nfs/dbraw/zinc/62/67/37/1099626737.db2.gz XCMMOZMGLSHVEU-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236475644 1099633205 /nfs/dbraw/zinc/63/32/05/1099633205.db2.gz RJLXBJRAZBFQBB-LJQANCHMSA-N 2 1 317.477 3.163 20 0 DGADMP CC(=O)Nc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236475644 1099633207 /nfs/dbraw/zinc/63/32/07/1099633207.db2.gz RJLXBJRAZBFQBB-LJQANCHMSA-N 2 1 317.477 3.163 20 0 DGADMP Cc1ccc(F)cc1C[N@H+](C[C@@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236509195 1099652279 /nfs/dbraw/zinc/65/22/79/1099652279.db2.gz JMVOKTFBTRHBNT-IBGZPJMESA-N 2 1 318.436 3.381 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236509195 1099652283 /nfs/dbraw/zinc/65/22/83/1099652283.db2.gz JMVOKTFBTRHBNT-IBGZPJMESA-N 2 1 318.436 3.381 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@@H]2C)C2CC[NH2+]CC2)cc1F ZINC001236516182 1099654991 /nfs/dbraw/zinc/65/49/91/1099654991.db2.gz MUCDZLMQULOVHZ-DZGCQCFKSA-N 2 1 306.425 3.044 20 0 DGADMP Cc1ccc(O[C@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)nc1 ZINC001236535298 1099669900 /nfs/dbraw/zinc/66/99/00/1099669900.db2.gz UPCAADLXEPXUAW-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1ccc(O[C@H]2CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)nc1 ZINC001236535298 1099669903 /nfs/dbraw/zinc/66/99/03/1099669903.db2.gz UPCAADLXEPXUAW-SFHVURJKSA-N 2 1 317.477 3.156 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2cc(F)cc(F)c2)CC2CC2)CC1 ZINC001236553371 1099677071 /nfs/dbraw/zinc/67/70/71/1099677071.db2.gz XYEWLMYEMVQBJR-IYARVYRRSA-N 2 1 308.416 3.489 20 0 DGADMP CC(C)C[N@@H+](Cc1[nH]nc2cc(F)ccc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553010 1099677168 /nfs/dbraw/zinc/67/71/68/1099677168.db2.gz VHESCIFSWXVGEG-SHTZXODSSA-N 2 1 318.440 3.430 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2c(F)cccc2F)CC2CC2)CC1 ZINC001236552229 1099677701 /nfs/dbraw/zinc/67/77/01/1099677701.db2.gz PNXRDDQQYGESQO-SHTZXODSSA-N 2 1 308.416 3.489 20 0 DGADMP Cc1ccccc1C[N@@H+](Cc1cccc(N)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236558314 1099679077 /nfs/dbraw/zinc/67/90/77/1099679077.db2.gz VMVDMLMSUOLRIL-UAPYVXQJSA-N 2 1 324.472 3.244 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC001236566043 1099681050 /nfs/dbraw/zinc/68/10/50/1099681050.db2.gz ADAQJYDDGCUCMV-UAPYVXQJSA-N 3 1 307.526 3.377 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](CCCN2CCCCC2)C2CCCC2)CC1 ZINC001236566043 1099681054 /nfs/dbraw/zinc/68/10/54/1099681054.db2.gz ADAQJYDDGCUCMV-UAPYVXQJSA-N 2 1 307.526 3.377 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCN2CCCCC2)C2CCCC2)CC1 ZINC001236566043 1099681059 /nfs/dbraw/zinc/68/10/59/1099681059.db2.gz ADAQJYDDGCUCMV-UAPYVXQJSA-N 2 1 307.526 3.377 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001236611516 1099703366 /nfs/dbraw/zinc/70/33/66/1099703366.db2.gz XYFMNGOJXSIOQT-UHFFFAOYSA-N 2 1 311.267 3.284 20 0 DGADMP COc1ncc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236566995 1099682356 /nfs/dbraw/zinc/68/23/56/1099682356.db2.gz QLTRFOSSBSYJCO-SAABIXHNSA-N 2 1 317.477 3.413 20 0 DGADMP COc1cc(C)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1C ZINC001236597280 1099693928 /nfs/dbraw/zinc/69/39/28/1099693928.db2.gz BHYGISOKSSAOJB-INIZCTEOSA-N 2 1 302.462 3.276 20 0 DGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236603901 1099698977 /nfs/dbraw/zinc/69/89/77/1099698977.db2.gz DQHLHAOIKWHPIQ-CYBMUJFWSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001236603901 1099698981 /nfs/dbraw/zinc/69/89/81/1099698981.db2.gz DQHLHAOIKWHPIQ-CYBMUJFWSA-N 2 1 304.381 3.469 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001236611516 1099703359 /nfs/dbraw/zinc/70/33/59/1099703359.db2.gz XYFMNGOJXSIOQT-UHFFFAOYSA-N 2 1 311.267 3.284 20 0 DGADMP CC(C)Oc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(OC(C)C)c1 ZINC001236615262 1099704205 /nfs/dbraw/zinc/70/42/05/1099704205.db2.gz HFNPBAOSIWJRJU-LJQANCHMSA-N 2 1 320.477 3.432 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(OC(C)C)c1 ZINC001236615262 1099704210 /nfs/dbraw/zinc/70/42/10/1099704210.db2.gz HFNPBAOSIWJRJU-LJQANCHMSA-N 2 1 320.477 3.432 20 0 DGADMP FC1(F)Oc2ccc(C[N@@H+](C3CCC3)C3CC[NH2+]CC3)cc2O1 ZINC001236636819 1099714958 /nfs/dbraw/zinc/71/49/58/1099714958.db2.gz JQHRVUFWESIBMP-UHFFFAOYSA-N 2 1 324.371 3.115 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236648353 1099719964 /nfs/dbraw/zinc/71/99/64/1099719964.db2.gz QIBOUAZBNNNQDH-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CC[C@@H]1C[NH2+]CCO1 ZINC001236661231 1099730431 /nfs/dbraw/zinc/73/04/31/1099730431.db2.gz ABIDOXYETPVYTF-VQTJNVASSA-N 2 1 318.505 3.488 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CC[C@H]1C[NH2+]CCO1 ZINC001236661228 1099730476 /nfs/dbraw/zinc/73/04/76/1099730476.db2.gz ABIDOXYETPVYTF-PMACEKPBSA-N 2 1 318.505 3.488 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)n1 ZINC001236664515 1099732405 /nfs/dbraw/zinc/73/24/05/1099732405.db2.gz QCJIGMWYQIIRCF-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)n1 ZINC001236664515 1099732411 /nfs/dbraw/zinc/73/24/11/1099732411.db2.gz QCJIGMWYQIIRCF-GOSISDBHSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1ccc(C[N@@H+](CCCCC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713944 1099753010 /nfs/dbraw/zinc/75/30/10/1099753010.db2.gz JMTHHNHBCCJRBA-WGSAOQKQSA-N 3 1 303.494 3.196 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713418 1099753264 /nfs/dbraw/zinc/75/32/64/1099753264.db2.gz CDHMRAUCNXLHFP-UFYCRDLUSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1ccc(C[N@@H+](CCCCCO)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713934 1099755674 /nfs/dbraw/zinc/75/56/74/1099755674.db2.gz JDBNOPBVSRASBU-WGSAOQKQSA-N 2 1 304.478 3.230 20 0 DGADMP [NH3+]CCCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741308 1099768112 /nfs/dbraw/zinc/76/81/12/1099768112.db2.gz DUSIOYYRWLABHD-IYARVYRRSA-N 3 1 307.457 3.027 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc2nonc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768891 1099775879 /nfs/dbraw/zinc/77/58/79/1099775879.db2.gz RXYUJGXFORRRLR-SHTZXODSSA-N 2 1 316.449 3.341 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1c(Cl)ccnc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768995 1099776273 /nfs/dbraw/zinc/77/62/73/1099776273.db2.gz ZBJHAAJRHCABJN-JOCQHMNTSA-N 2 1 324.900 3.435 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]12 ZINC001236826800 1099810782 /nfs/dbraw/zinc/81/07/82/1099810782.db2.gz CVSQEOFERRPGFD-ZLGUVYLKSA-N 2 1 304.437 3.427 20 0 DGADMP CCC[N@H+](Cc1c[nH]c2ccc(OCC)cc12)C[C@@H]1CC[NH2+]C1 ZINC001236835673 1099822744 /nfs/dbraw/zinc/82/27/44/1099822744.db2.gz OOSKIDBFQKFYIE-OAHLLOKOSA-N 2 1 315.461 3.388 20 0 DGADMP CCC[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842257 1099827425 /nfs/dbraw/zinc/82/74/25/1099827425.db2.gz CZEWKLQWFPTEOB-CYBMUJFWSA-N 2 1 316.367 3.233 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC(C)C)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843303 1099828416 /nfs/dbraw/zinc/82/84/16/1099828416.db2.gz GVKZXRVBILWUNE-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(C)C)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843303 1099828428 /nfs/dbraw/zinc/82/84/28/1099828428.db2.gz GVKZXRVBILWUNE-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236889912 1099853522 /nfs/dbraw/zinc/85/35/22/1099853522.db2.gz JOKSNCBEUZFDPZ-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C[C@]1(C)O ZINC001236901844 1099862438 /nfs/dbraw/zinc/86/24/38/1099862438.db2.gz AZTZWRWXEXCQIH-DYVFJYSZSA-N 2 1 319.836 3.119 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@]1(C)O ZINC001236913004 1099872495 /nfs/dbraw/zinc/87/24/95/1099872495.db2.gz GMFMKFLHLTWVDM-DYVFJYSZSA-N 2 1 319.836 3.119 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@@]3(CCO3)C2)ccc1-n1ccnc1 ZINC001236914006 1099874570 /nfs/dbraw/zinc/87/45/70/1099874570.db2.gz KJEZZZJFDDAPME-QGZVFWFLSA-N 2 1 317.820 3.281 20 0 DGADMP Clc1cc(CN2CCC[C@@]3(CCO3)C2)ccc1-n1ccnc1 ZINC001236914006 1099874577 /nfs/dbraw/zinc/87/45/77/1099874577.db2.gz KJEZZZJFDDAPME-QGZVFWFLSA-N 2 1 317.820 3.281 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1Cl)CC1CCOCC1 ZINC001236914154 1099875190 /nfs/dbraw/zinc/87/51/90/1099875190.db2.gz RPZFAXQWRDVECR-UHFFFAOYSA-N 2 1 319.836 3.384 20 0 DGADMP C(C[NH2+]C1CCCCC1)CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236948745 1099888367 /nfs/dbraw/zinc/88/83/67/1099888367.db2.gz RRKKFONAIPFOAL-UHFFFAOYSA-N 2 1 321.553 3.401 20 0 DGADMP C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(N3CCN(C)CC3)c2)C1 ZINC001236960251 1099891065 /nfs/dbraw/zinc/89/10/65/1099891065.db2.gz RIFWWPFMDKUNPZ-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@H]1CCCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960251 1099891076 /nfs/dbraw/zinc/89/10/76/1099891076.db2.gz RIFWWPFMDKUNPZ-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960251 1099891080 /nfs/dbraw/zinc/89/10/80/1099891080.db2.gz RIFWWPFMDKUNPZ-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP CC[C@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965683 1099893392 /nfs/dbraw/zinc/89/33/92/1099893392.db2.gz BSHHBQPGVKFMPS-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965683 1099893397 /nfs/dbraw/zinc/89/33/97/1099893397.db2.gz BSHHBQPGVKFMPS-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP CC(C)[NH+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)C(C)C ZINC001236967524 1099896558 /nfs/dbraw/zinc/89/65/58/1099896558.db2.gz LHHWGYOKHATWCG-UHFFFAOYSA-N 2 1 307.457 3.196 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC001236974597 1099896948 /nfs/dbraw/zinc/89/69/48/1099896948.db2.gz UBCPYYFQJUNEOF-HOTGVXAUSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC001236974597 1099896954 /nfs/dbraw/zinc/89/69/54/1099896954.db2.gz UBCPYYFQJUNEOF-HOTGVXAUSA-N 2 1 319.468 3.198 20 0 DGADMP CN1CCN(c2cc(C[N@@H+](C)C[C@H]3CC3(C)C)ccc2F)CC1 ZINC001236975377 1099899243 /nfs/dbraw/zinc/89/92/43/1099899243.db2.gz YPQYWTJPHGZNFJ-MRXNPFEDSA-N 2 1 319.468 3.055 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)C[C@H]1CC1(C)C ZINC001236975377 1099899258 /nfs/dbraw/zinc/89/92/58/1099899258.db2.gz YPQYWTJPHGZNFJ-MRXNPFEDSA-N 2 1 319.468 3.055 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)C[C@H]1CC1(C)C ZINC001236975377 1099899265 /nfs/dbraw/zinc/89/92/65/1099899265.db2.gz YPQYWTJPHGZNFJ-MRXNPFEDSA-N 2 1 319.468 3.055 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCC[NH+](C)C ZINC001278049992 1099961804 /nfs/dbraw/zinc/96/18/04/1099961804.db2.gz YOZUYESGAJOLMO-QYZOEREBSA-N 2 1 309.542 3.303 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001237188523 1100023879 /nfs/dbraw/zinc/02/38/79/1100023879.db2.gz PVEVCULOKJXVDP-OXJNMPFZSA-N 2 1 316.464 3.495 20 0 DGADMP C[C@H]1Cc2cccc(Br)c2C[N@H+]1CCCCC[NH3+] ZINC001237190155 1100025977 /nfs/dbraw/zinc/02/59/77/1100025977.db2.gz CWZQJHJGSWBRGR-LBPRGKRZSA-N 2 1 311.267 3.325 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@@H]3CCC[NH2+]C3)CC[C@H]1N2 ZINC001237235263 1100042147 /nfs/dbraw/zinc/04/21/47/1100042147.db2.gz NVPJCDQARQZDGM-QANKJYHBSA-N 2 1 319.880 3.313 20 0 DGADMP Brc1ccc(C[C@H]2CCC[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001237257366 1100050542 /nfs/dbraw/zinc/05/05/42/1100050542.db2.gz FWIROETWGUVPKJ-MRXNPFEDSA-N 2 1 323.278 3.066 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274318 1100054281 /nfs/dbraw/zinc/05/42/81/1100054281.db2.gz AMDCDVQMOAHFQS-HNNXBMFYSA-N 2 1 304.503 3.265 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237401637 1100110646 /nfs/dbraw/zinc/11/06/46/1100110646.db2.gz DVIDFJCFHOPNAW-HOCLYGCPSA-N 2 1 313.470 3.384 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237401637 1100110649 /nfs/dbraw/zinc/11/06/49/1100110649.db2.gz DVIDFJCFHOPNAW-HOCLYGCPSA-N 2 1 313.470 3.384 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237402408 1100111287 /nfs/dbraw/zinc/11/12/87/1100111287.db2.gz HQDZQIFPOGWJLB-SJLPKXTDSA-N 2 1 311.429 3.224 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237402408 1100111292 /nfs/dbraw/zinc/11/12/92/1100111292.db2.gz HQDZQIFPOGWJLB-SJLPKXTDSA-N 2 1 311.429 3.224 20 0 DGADMP c1csc(-c2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)n1 ZINC001237403061 1100112173 /nfs/dbraw/zinc/11/21/73/1100112173.db2.gz JUQPBROONIBMFK-RDJZCZTQSA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)n1 ZINC001237403061 1100112179 /nfs/dbraw/zinc/11/21/79/1100112179.db2.gz JUQPBROONIBMFK-RDJZCZTQSA-N 2 1 313.470 3.384 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237410406 1100115363 /nfs/dbraw/zinc/11/53/63/1100115363.db2.gz CVOCWMBRZMGZCA-ICSRJNTNSA-N 2 1 314.473 3.155 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237410405 1100116043 /nfs/dbraw/zinc/11/60/43/1100116043.db2.gz CVOCWMBRZMGZCA-AZUAARDMSA-N 2 1 314.473 3.155 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237410407 1100116107 /nfs/dbraw/zinc/11/61/07/1100116107.db2.gz CVOCWMBRZMGZCA-QUCCMNQESA-N 2 1 314.473 3.155 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)n2)cc1 ZINC001237413120 1100117816 /nfs/dbraw/zinc/11/78/16/1100117816.db2.gz JHXCQOMDXZYRTI-IEBWSBKVSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)n2)cc1 ZINC001237413120 1100117821 /nfs/dbraw/zinc/11/78/21/1100117821.db2.gz JHXCQOMDXZYRTI-IEBWSBKVSA-N 2 1 307.441 3.323 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237417521 1100119516 /nfs/dbraw/zinc/11/95/16/1100119516.db2.gz SOYMWNGFSHWJFG-PXNSSMCTSA-N 2 1 323.440 3.448 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237417521 1100119522 /nfs/dbraw/zinc/11/95/22/1100119522.db2.gz SOYMWNGFSHWJFG-PXNSSMCTSA-N 2 1 323.440 3.448 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415262 1100120227 /nfs/dbraw/zinc/12/02/27/1100120227.db2.gz PORPXWDHKPMZLE-QFBILLFUSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415262 1100120236 /nfs/dbraw/zinc/12/02/36/1100120236.db2.gz PORPXWDHKPMZLE-QFBILLFUSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1cnc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001237808006 1100254150 /nfs/dbraw/zinc/25/41/50/1100254150.db2.gz MTGJGDHWCVWKLP-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001237808006 1100254159 /nfs/dbraw/zinc/25/41/59/1100254159.db2.gz MTGJGDHWCVWKLP-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@@](C)(O)C3)cc21 ZINC001237880179 1100277663 /nfs/dbraw/zinc/27/76/63/1100277663.db2.gz DPPLMOOXMALNFL-HXUWFJFHSA-N 2 1 314.473 3.425 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@](C)(O)CC3)cc21 ZINC001237880512 1100278088 /nfs/dbraw/zinc/27/80/88/1100278088.db2.gz GQUPVKUBMJITBL-FQEVSTJZSA-N 2 1 314.473 3.425 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4=O)cc21 ZINC001237884761 1100282086 /nfs/dbraw/zinc/28/20/86/1100282086.db2.gz FCIJQKQSWLTDQT-CALCHBBNSA-N 2 1 310.441 3.099 20 0 DGADMP CC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237888018 1100282173 /nfs/dbraw/zinc/28/21/73/1100282173.db2.gz YREXALGEAQTFKI-SFHVURJKSA-N 2 1 312.457 3.489 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911779 1100291089 /nfs/dbraw/zinc/29/10/89/1100291089.db2.gz GGSPCBHQAQPVSE-QUCCMNQESA-N 2 1 314.473 3.107 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111735 1100364717 /nfs/dbraw/zinc/36/47/17/1100364717.db2.gz XAAKOACTDJACBX-CQSZACIVSA-N 2 1 315.417 3.031 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111735 1100364727 /nfs/dbraw/zinc/36/47/27/1100364727.db2.gz XAAKOACTDJACBX-CQSZACIVSA-N 2 1 315.417 3.031 20 0 DGADMP Fc1ccc(N2CCC[N@H+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238115639 1100368354 /nfs/dbraw/zinc/36/83/54/1100368354.db2.gz MKJXGGNNDQEKFD-UHFFFAOYSA-N 2 1 324.403 3.186 20 0 DGADMP Fc1ccc(N2CCC[N@@H+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238115639 1100368360 /nfs/dbraw/zinc/36/83/60/1100368360.db2.gz MKJXGGNNDQEKFD-UHFFFAOYSA-N 2 1 324.403 3.186 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238208614 1100392310 /nfs/dbraw/zinc/39/23/10/1100392310.db2.gz IULSNUQPENNCGR-CABCVRRESA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238208614 1100392318 /nfs/dbraw/zinc/39/23/18/1100392318.db2.gz IULSNUQPENNCGR-CABCVRRESA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238208614 1100392328 /nfs/dbraw/zinc/39/23/28/1100392328.db2.gz IULSNUQPENNCGR-CABCVRRESA-N 2 1 313.470 3.194 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1)[NH+]1CCCC1 ZINC001191119708 1100404585 /nfs/dbraw/zinc/40/45/85/1100404585.db2.gz ADUMDBNPOWHCRJ-MSOLQXFVSA-N 2 1 306.494 3.001 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001238340678 1100419440 /nfs/dbraw/zinc/41/94/40/1100419440.db2.gz ZVYGPJWIQWNAPK-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238340678 1100419443 /nfs/dbraw/zinc/41/94/43/1100419443.db2.gz ZVYGPJWIQWNAPK-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CC1(C)CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001191297654 1100445177 /nfs/dbraw/zinc/44/51/77/1100445177.db2.gz PSXCFCFXDXKPNK-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC1(C)CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001191297654 1100445183 /nfs/dbraw/zinc/44/51/83/1100445183.db2.gz PSXCFCFXDXKPNK-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC1(C)CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001191297654 1100445188 /nfs/dbraw/zinc/44/51/88/1100445188.db2.gz PSXCFCFXDXKPNK-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC1(C)CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001191297654 1100445191 /nfs/dbraw/zinc/44/51/91/1100445191.db2.gz PSXCFCFXDXKPNK-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001238549110 1100469394 /nfs/dbraw/zinc/46/93/94/1100469394.db2.gz OCICMUUVJKYZHW-UHFFFAOYSA-N 2 1 313.420 3.414 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001238549110 1100469396 /nfs/dbraw/zinc/46/93/96/1100469396.db2.gz OCICMUUVJKYZHW-UHFFFAOYSA-N 2 1 313.420 3.414 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001205578955 1100571263 /nfs/dbraw/zinc/57/12/63/1100571263.db2.gz KPMKGRCUAPPUHN-LBPRGKRZSA-N 2 1 310.360 3.420 20 0 DGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205592090 1100606550 /nfs/dbraw/zinc/60/65/50/1100606550.db2.gz QXQUMDXQQCANOW-OAHLLOKOSA-N 2 1 302.796 3.440 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cnc2Cl)CC[C@H]1C[NH3+] ZINC001205615720 1100674594 /nfs/dbraw/zinc/67/45/94/1100674594.db2.gz ABIDEOLLVXDGOL-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@H]1CC[N@H+](Cc2sc(Cl)nc2Cl)CC[C@H]1C[NH3+] ZINC001205626767 1100719416 /nfs/dbraw/zinc/71/94/16/1100719416.db2.gz IXWUCBZKCILQOV-IUCAKERBSA-N 2 1 308.278 3.257 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2sc(Cl)nc2Cl)CC[C@H]1C[NH3+] ZINC001205626767 1100719421 /nfs/dbraw/zinc/71/94/21/1100719421.db2.gz IXWUCBZKCILQOV-IUCAKERBSA-N 2 1 308.278 3.257 20 0 DGADMP C[N@@H+]1CCc2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc2C1 ZINC001240477078 1101014344 /nfs/dbraw/zinc/01/43/44/1101014344.db2.gz ANIFAHABWFZBNG-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP C[N@H+]1CCc2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc2C1 ZINC001240477078 1101014350 /nfs/dbraw/zinc/01/43/50/1101014350.db2.gz ANIFAHABWFZBNG-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP COCC[C@H](C)[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961796 1101446436 /nfs/dbraw/zinc/44/64/36/1101446436.db2.gz MBGMYURZYYFOEA-IHPCNDPISA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(=O)CCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194872 1101495667 /nfs/dbraw/zinc/49/56/67/1101495667.db2.gz WGJBLGLZIRDQRT-UHFFFAOYSA-N 2 1 312.498 3.020 20 0 DGADMP C[N@H+]1CCC=C(c2ccc3ncn([C@@H]4CCC[NH2+]CC4)c3c2)C1 ZINC001241570202 1101552845 /nfs/dbraw/zinc/55/28/45/1101552845.db2.gz WXGHXKHWCVHYCS-QGZVFWFLSA-N 2 1 310.445 3.070 20 0 DGADMP CCC1(CC)CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001197513908 1101577601 /nfs/dbraw/zinc/57/76/01/1101577601.db2.gz FMWHPIWPFWJNTC-GOSISDBHSA-N 2 1 304.478 3.134 20 0 DGADMP CCC1(CC)CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001197513908 1101577605 /nfs/dbraw/zinc/57/76/05/1101577605.db2.gz FMWHPIWPFWJNTC-GOSISDBHSA-N 2 1 304.478 3.134 20 0 DGADMP CCC1(CC)CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001197513908 1101577614 /nfs/dbraw/zinc/57/76/14/1101577614.db2.gz FMWHPIWPFWJNTC-GOSISDBHSA-N 2 1 304.478 3.134 20 0 DGADMP CCC1(CC)CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001197513908 1101577626 /nfs/dbraw/zinc/57/76/26/1101577626.db2.gz FMWHPIWPFWJNTC-GOSISDBHSA-N 2 1 304.478 3.134 20 0 DGADMP c1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c2c([nH+]1)NCC2 ZINC001241761924 1101690515 /nfs/dbraw/zinc/69/05/15/1101690515.db2.gz UYSZFFBFPCDLFF-UHFFFAOYSA-N 2 1 323.440 3.224 20 0 DGADMP CC(C)CSCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197929472 1101702309 /nfs/dbraw/zinc/70/23/09/1101702309.db2.gz IFKWAFHBNOHUCK-MRXNPFEDSA-N 2 1 307.507 3.371 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197930610 1101704568 /nfs/dbraw/zinc/70/45/68/1101704568.db2.gz RKLAJFXQMFJCPB-ZIFCJYIRSA-N 2 1 317.477 3.187 20 0 DGADMP c1cc(C[NH+]2CCOCC2)cc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)c1 ZINC001241818457 1101724596 /nfs/dbraw/zinc/72/45/96/1101724596.db2.gz PXEHQERJPUWIMC-OAQYLSRUSA-N 2 1 322.452 3.263 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001242084291 1101899935 /nfs/dbraw/zinc/89/99/35/1101899935.db2.gz PZAJKGPOKTWQNV-HNNXBMFYSA-N 2 1 321.428 3.304 20 0 DGADMP CCC[N@H+]1CC[C@H](CNCc2cnc(C)n2-c2ccccc2)C1 ZINC000084017149 1102114154 /nfs/dbraw/zinc/11/41/54/1102114154.db2.gz LEQHZJCITZTODE-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084017149 1102114162 /nfs/dbraw/zinc/11/41/62/1102114162.db2.gz LEQHZJCITZTODE-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084017149 1102114166 /nfs/dbraw/zinc/11/41/66/1102114166.db2.gz LEQHZJCITZTODE-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)nn1 ZINC001242688959 1102286130 /nfs/dbraw/zinc/28/61/30/1102286130.db2.gz GFXJGEHWYMRAMV-INIZCTEOSA-N 2 1 309.417 3.002 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nn1 ZINC001242688960 1102286214 /nfs/dbraw/zinc/28/62/14/1102286214.db2.gz GFXJGEHWYMRAMV-MRXNPFEDSA-N 2 1 309.417 3.002 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(-c3cnn(C4CC[NH+](C)CC4)c3)cc2)C1 ZINC001242732533 1102315613 /nfs/dbraw/zinc/31/56/13/1102315613.db2.gz GMUPFTHXISEIMV-GOSISDBHSA-N 2 1 324.472 3.236 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001205901287 1102398598 /nfs/dbraw/zinc/39/85/98/1102398598.db2.gz CHLYFFPRUJCZTC-YPMHNXCESA-N 2 1 302.340 3.144 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915288 1102547105 /nfs/dbraw/zinc/54/71/05/1102547105.db2.gz PAWLPKPQXRCJEN-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915288 1102547118 /nfs/dbraw/zinc/54/71/18/1102547118.db2.gz PAWLPKPQXRCJEN-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP CSc1ncc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1C ZINC001243147861 1102552847 /nfs/dbraw/zinc/55/28/47/1102552847.db2.gz NDOKBDQYUNISOY-UHFFFAOYSA-N 2 1 310.426 3.113 20 0 DGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201501845 1102613505 /nfs/dbraw/zinc/61/35/05/1102613505.db2.gz CCEGAWKDJSDTAS-YRXWBPOGSA-N 2 1 318.509 3.102 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201501845 1102613512 /nfs/dbraw/zinc/61/35/12/1102613512.db2.gz CCEGAWKDJSDTAS-YRXWBPOGSA-N 2 1 318.509 3.102 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201501845 1102613519 /nfs/dbraw/zinc/61/35/19/1102613519.db2.gz CCEGAWKDJSDTAS-YRXWBPOGSA-N 2 1 318.509 3.102 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001203972915 1102664250 /nfs/dbraw/zinc/66/42/50/1102664250.db2.gz LKQOHIUKRMJRHU-MSOLQXFVSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001203972915 1102664254 /nfs/dbraw/zinc/66/42/54/1102664254.db2.gz LKQOHIUKRMJRHU-MSOLQXFVSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001203972915 1102664258 /nfs/dbraw/zinc/66/42/58/1102664258.db2.gz LKQOHIUKRMJRHU-MSOLQXFVSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](CC1CCCC1)CC2 ZINC001202139520 1102853108 /nfs/dbraw/zinc/85/31/08/1102853108.db2.gz PEUJIXIOGDJRAB-UHFFFAOYSA-N 2 1 304.482 3.074 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(-c3cccc4nc[nH]c43)cc2)CC1 ZINC001243936531 1103066241 /nfs/dbraw/zinc/06/62/41/1103066241.db2.gz YSOOATLMMKCADK-UHFFFAOYSA-N 2 1 320.440 3.401 20 0 DGADMP C[C@]1(CO)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001325996093 1103178214 /nfs/dbraw/zinc/17/82/14/1103178214.db2.gz VUQPUVJDCJCYAZ-FQEVSTJZSA-N 2 1 316.489 3.267 20 0 DGADMP CCn1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2ccccc21 ZINC001326517637 1103352113 /nfs/dbraw/zinc/35/21/13/1103352113.db2.gz HOYZAIGFRGZPEV-UHFFFAOYSA-N 2 1 312.461 3.022 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC001327838824 1103483801 /nfs/dbraw/zinc/48/38/01/1103483801.db2.gz DBMNDXCGQBOYEL-UWVGGRQHSA-N 2 1 303.219 3.237 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C1CCCC1 ZINC001326818722 1103454256 /nfs/dbraw/zinc/45/42/56/1103454256.db2.gz ANLAXXDDYACAKY-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP O=c1[nH]cccc1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276327909 1103500749 /nfs/dbraw/zinc/50/07/49/1103500749.db2.gz DCRRMFQAKDMLFF-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1[nH]cccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276327909 1103500759 /nfs/dbraw/zinc/50/07/59/1103500759.db2.gz DCRRMFQAKDMLFF-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1[nH]cccc1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276327909 1103500769 /nfs/dbraw/zinc/50/07/69/1103500769.db2.gz DCRRMFQAKDMLFF-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)[nH]1 ZINC001276355563 1103531752 /nfs/dbraw/zinc/53/17/52/1103531752.db2.gz UECVYEXHPIPJNI-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP CCCOc1ncccc1C[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001276368922 1103662207 /nfs/dbraw/zinc/66/22/07/1103662207.db2.gz PLPKPCCSINRUAD-MSOLQXFVSA-N 2 1 303.450 3.025 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328286482 1103905460 /nfs/dbraw/zinc/90/54/60/1103905460.db2.gz UTGCJIMWGHPYIG-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)nn1 ZINC001245346300 1103995955 /nfs/dbraw/zinc/99/59/55/1103995955.db2.gz BQYDLNWGMPLRKX-MRXNPFEDSA-N 2 1 305.385 3.062 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001328679887 1104019406 /nfs/dbraw/zinc/01/94/06/1104019406.db2.gz BSBPXVZNASSENE-OAHLLOKOSA-N 2 1 322.522 3.049 20 0 DGADMP Cc1csc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001137154772 1104019806 /nfs/dbraw/zinc/01/98/06/1104019806.db2.gz SNKLGIXUFUUNSD-UHFFFAOYSA-N 2 1 301.459 3.499 20 0 DGADMP C[C@@]1(C[NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001329022957 1104127538 /nfs/dbraw/zinc/12/75/38/1104127538.db2.gz HMNXAGMUFQPSKP-UUKMXZOPSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCN(Cc2ccccc2)C1 ZINC001329022957 1104127542 /nfs/dbraw/zinc/12/75/42/1104127542.db2.gz HMNXAGMUFQPSKP-UUKMXZOPSA-N 2 1 315.505 3.006 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202722517 1104140768 /nfs/dbraw/zinc/14/07/68/1104140768.db2.gz VIMZPYITQRFTIP-QGZVFWFLSA-N 2 1 318.461 3.135 20 0 DGADMP Cc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c[nH+]cn2c1 ZINC001245899387 1104295819 /nfs/dbraw/zinc/29/58/19/1104295819.db2.gz GSMKTHRJZUXCGV-UHFFFAOYSA-N 2 1 307.397 3.142 20 0 DGADMP CC/C=C/CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001329571956 1104324315 /nfs/dbraw/zinc/32/43/15/1104324315.db2.gz JBAUQZWKAOWDIZ-YQJUVHNHSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001329571956 1104324326 /nfs/dbraw/zinc/32/43/26/1104324326.db2.gz JBAUQZWKAOWDIZ-YQJUVHNHSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001329571956 1104324338 /nfs/dbraw/zinc/32/43/38/1104324338.db2.gz JBAUQZWKAOWDIZ-YQJUVHNHSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246003751 1104350638 /nfs/dbraw/zinc/35/06/38/1104350638.db2.gz FHPGQRQQQPRACE-KRWDZBQOSA-N 2 1 324.896 3.450 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC001246013519 1104352508 /nfs/dbraw/zinc/35/25/08/1104352508.db2.gz HCQAZYAIVOKRQA-PWRODBHTSA-N 2 1 324.468 3.063 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246048041 1104357735 /nfs/dbraw/zinc/35/77/35/1104357735.db2.gz XLXAYUDIPVBNIF-SLFFLAALSA-N 2 1 312.457 3.000 20 0 DGADMP CCCCC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246060719 1104362169 /nfs/dbraw/zinc/36/21/69/1104362169.db2.gz GMZDGYPWWXUKTH-LJQANCHMSA-N 2 1 322.468 3.321 20 0 DGADMP CCCCC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246060719 1104362181 /nfs/dbraw/zinc/36/21/81/1104362181.db2.gz GMZDGYPWWXUKTH-LJQANCHMSA-N 2 1 322.468 3.321 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@@]1(O)CCC[NH2+]C1 ZINC001246069449 1104365170 /nfs/dbraw/zinc/36/51/70/1104365170.db2.gz XVTMZNSEBRTVSF-WOJBJXKFSA-N 2 1 318.505 3.224 20 0 DGADMP CC1(C)C[C@@H](NCC2([NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001246074537 1104367141 /nfs/dbraw/zinc/36/71/41/1104367141.db2.gz DKJCVJRGJLWHBW-SFHVURJKSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)C[NH2+]1 ZINC001246074922 1104370535 /nfs/dbraw/zinc/37/05/35/1104370535.db2.gz GHEXQTPUOUSCDY-GDAAHCPNSA-N 2 1 302.462 3.245 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246092660 1104382355 /nfs/dbraw/zinc/38/23/55/1104382355.db2.gz UCCLGQGGHUHOHF-PIKOESSRSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246094162 1104382677 /nfs/dbraw/zinc/38/26/77/1104382677.db2.gz ZSBYLYBRGSGKNL-OCCSQVGLSA-N 2 1 311.267 3.112 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@H]3C[NH2+]C[C@@H]3C)ccc2c1 ZINC001246107327 1104388613 /nfs/dbraw/zinc/38/86/13/1104388613.db2.gz HNOQMYTZPMZWCC-AVYPCKFXSA-N 2 1 312.457 3.367 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104926 1104389237 /nfs/dbraw/zinc/38/92/37/1104389237.db2.gz AEXZFBXDHSQTIP-BWPNAZKDSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC001246104926 1104389246 /nfs/dbraw/zinc/38/92/46/1104389246.db2.gz AEXZFBXDHSQTIP-BWPNAZKDSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC001246104926 1104389252 /nfs/dbraw/zinc/38/92/52/1104389252.db2.gz AEXZFBXDHSQTIP-BWPNAZKDSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104926 1104389260 /nfs/dbraw/zinc/38/92/60/1104389260.db2.gz AEXZFBXDHSQTIP-BWPNAZKDSA-N 3 1 315.505 3.017 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246120984 1104396591 /nfs/dbraw/zinc/39/65/91/1104396591.db2.gz UGWDQRZIDQPNQE-IEBWSBKVSA-N 2 1 313.420 3.299 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246155434 1104410512 /nfs/dbraw/zinc/41/05/12/1104410512.db2.gz YCHDJGPBXCVWEB-MVJPYGJCSA-N 2 1 310.441 3.191 20 0 DGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160873 1104411450 /nfs/dbraw/zinc/41/14/50/1104411450.db2.gz PNZCRJHKBMCFAG-NSISKUIASA-N 2 1 316.489 3.071 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(F)cc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246163067 1104412293 /nfs/dbraw/zinc/41/22/93/1104412293.db2.gz KGGSDHJQCIHLPA-UWVGGRQHSA-N 2 1 304.331 3.463 20 0 DGADMP CC[C@@H]1C[C@@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169962 1104416695 /nfs/dbraw/zinc/41/66/95/1104416695.db2.gz KFYZBXDLMLUPSE-DQCOHUIHSA-N 2 1 309.542 3.253 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169962 1104416703 /nfs/dbraw/zinc/41/67/03/1104416703.db2.gz KFYZBXDLMLUPSE-DQCOHUIHSA-N 3 1 309.542 3.253 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169962 1104416709 /nfs/dbraw/zinc/41/67/09/1104416709.db2.gz KFYZBXDLMLUPSE-DQCOHUIHSA-N 3 1 309.542 3.253 20 0 DGADMP CCCC[C@@H]1C[C@@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246170050 1104417817 /nfs/dbraw/zinc/41/78/17/1104417817.db2.gz LBAQHHRQWXBRGK-HCXYKTFWSA-N 2 1 309.542 3.255 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246170050 1104417821 /nfs/dbraw/zinc/41/78/21/1104417821.db2.gz LBAQHHRQWXBRGK-HCXYKTFWSA-N 3 1 309.542 3.255 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246170050 1104417826 /nfs/dbraw/zinc/41/78/26/1104417826.db2.gz LBAQHHRQWXBRGK-HCXYKTFWSA-N 3 1 309.542 3.255 20 0 DGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207069 1104437372 /nfs/dbraw/zinc/43/73/72/1104437372.db2.gz NPQBJFMIPKCAQU-KKUMJFAQSA-N 2 1 300.487 3.240 20 0 DGADMP CC(C)C[C@H]([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)C(=O)OC(C)(C)C ZINC001246178047 1104423034 /nfs/dbraw/zinc/42/30/34/1104423034.db2.gz FJORTYAGVSHZIX-HOTGVXAUSA-N 2 1 324.509 3.255 20 0 DGADMP CC(C)C[C@H]([NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246179940 1104424559 /nfs/dbraw/zinc/42/45/59/1104424559.db2.gz PCVAWMFLENMFHN-GJYPPUQNSA-N 2 1 324.509 3.255 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001274623916 1104425987 /nfs/dbraw/zinc/42/59/87/1104425987.db2.gz NYJIUOPZYOICFA-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246184078 1104426360 /nfs/dbraw/zinc/42/63/60/1104426360.db2.gz ZGRXCVZYZJTYBV-UHFFFAOYSA-N 3 1 307.526 3.282 20 0 DGADMP C[C@]1([NH2+][C@H]2CCc3cccc(Br)c3C2)CCC[NH2+]C1 ZINC001246188621 1104430667 /nfs/dbraw/zinc/43/06/67/1104430667.db2.gz JXGHTWYPUSJDPZ-BBRMVZONSA-N 2 1 323.278 3.038 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246195004 1104431307 /nfs/dbraw/zinc/43/13/07/1104431307.db2.gz MBNMDCVYAOQYMK-KRWDZBQOSA-N 2 1 307.526 3.153 20 0 DGADMP CCC[C@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246192746 1104432130 /nfs/dbraw/zinc/43/21/30/1104432130.db2.gz YGWGHKVJRYDOSI-ROUUACIJSA-N 2 1 320.477 3.396 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC001246192803 1104432381 /nfs/dbraw/zinc/43/23/81/1104432381.db2.gz CBUPIUFBCVRMED-RCBQFDQVSA-N 2 1 306.425 3.406 20 0 DGADMP CC1(C)C[C@H](NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196597 1104434507 /nfs/dbraw/zinc/43/45/07/1104434507.db2.gz HBLLGSYZUMVGLB-RTBURBONSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC001246196597 1104434510 /nfs/dbraw/zinc/43/45/10/1104434510.db2.gz HBLLGSYZUMVGLB-RTBURBONSA-N 3 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196597 1104434512 /nfs/dbraw/zinc/43/45/12/1104434512.db2.gz HBLLGSYZUMVGLB-RTBURBONSA-N 3 1 315.505 3.019 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+]CCCC[C@H]([NH3+])C(=O)OC ZINC001246201631 1104435767 /nfs/dbraw/zinc/43/57/67/1104435767.db2.gz FVNIATNUZAYOIX-HOTGVXAUSA-N 2 1 300.487 3.386 20 0 DGADMP CCCCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246208255 1104437340 /nfs/dbraw/zinc/43/73/40/1104437340.db2.gz ULNFTXPMWCVTOD-GJZGRUSLSA-N 2 1 300.487 3.384 20 0 DGADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955864 1104438351 /nfs/dbraw/zinc/43/83/51/1104438351.db2.gz CTJRZSBZMZYXSW-QRVBRYPASA-N 2 1 319.468 3.035 20 0 DGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246218768 1104441794 /nfs/dbraw/zinc/44/17/94/1104441794.db2.gz DMMYOJBNWMSBGX-RHSMWYFYSA-N 2 1 310.432 3.405 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1F ZINC001329976509 1104442686 /nfs/dbraw/zinc/44/26/86/1104442686.db2.gz OOBZYRLOTRXUCW-MRXNPFEDSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1F ZINC001329976509 1104442692 /nfs/dbraw/zinc/44/26/92/1104442692.db2.gz OOBZYRLOTRXUCW-MRXNPFEDSA-N 2 1 306.425 3.046 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H](C)[NH2+]1 ZINC001246223582 1104444692 /nfs/dbraw/zinc/44/46/92/1104444692.db2.gz WSKVQXVDLYNSGQ-UWVGGRQHSA-N 2 1 320.330 3.343 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001246235550 1104450868 /nfs/dbraw/zinc/45/08/68/1104450868.db2.gz YLSNOKJVOVMCKI-ZFWWWQNUSA-N 2 1 314.807 3.032 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246235538 1104451068 /nfs/dbraw/zinc/45/10/68/1104451068.db2.gz YLSNOKJVOVMCKI-DZGCQCFKSA-N 2 1 314.807 3.032 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246254442 1104460669 /nfs/dbraw/zinc/46/06/69/1104460669.db2.gz HLKXWDRTYJTSJU-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246257696 1104462448 /nfs/dbraw/zinc/46/24/48/1104462448.db2.gz IABPSMHYHOHVRU-HZMVEIRTSA-N 2 1 310.869 3.272 20 0 DGADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246270812 1104467474 /nfs/dbraw/zinc/46/74/74/1104467474.db2.gz QAHPBVKMGNYKPV-SFHVURJKSA-N 2 1 303.494 3.019 20 0 DGADMP CC1(C)C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246269012 1104467833 /nfs/dbraw/zinc/46/78/33/1104467833.db2.gz AOJJYGPZNOSCCH-MOPGFXCFSA-N 2 1 315.505 3.161 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246269012 1104467837 /nfs/dbraw/zinc/46/78/37/1104467837.db2.gz AOJJYGPZNOSCCH-MOPGFXCFSA-N 3 1 315.505 3.161 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246269012 1104467840 /nfs/dbraw/zinc/46/78/40/1104467840.db2.gz AOJJYGPZNOSCCH-MOPGFXCFSA-N 3 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[NH2+]1 ZINC001246276196 1104469259 /nfs/dbraw/zinc/46/92/59/1104469259.db2.gz KNSJPTNHELQWGR-DDUZABMNSA-N 2 1 306.425 3.024 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246323299 1104488949 /nfs/dbraw/zinc/48/89/49/1104488949.db2.gz AGGITDRMOXLVHA-HUBLWGQQSA-N 2 1 316.367 3.104 20 0 DGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246323467 1104489601 /nfs/dbraw/zinc/48/96/01/1104489601.db2.gz APLJBQCKEUEWOO-VMWRSERWSA-N 2 1 302.462 3.354 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C[NH2+]1 ZINC001246327018 1104490566 /nfs/dbraw/zinc/49/05/66/1104490566.db2.gz YBHDRYBLLVWZTL-IUODEOHRSA-N 2 1 323.278 3.211 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246327713 1104490666 /nfs/dbraw/zinc/49/06/66/1104490666.db2.gz UFYORXPYDIBSJE-ZOWXZIJZSA-N 2 1 311.267 3.110 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1C[NH2+]CCC1(C)C)CC2 ZINC001246333726 1104495790 /nfs/dbraw/zinc/49/57/90/1104495790.db2.gz WMTOCIYESOTPGF-YVEFUNNKSA-N 2 1 322.880 3.184 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246336269 1104497788 /nfs/dbraw/zinc/49/77/88/1104497788.db2.gz NZLBJFGHOZOPGF-RLLQIKCJSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246346947 1104501240 /nfs/dbraw/zinc/50/12/40/1104501240.db2.gz NWAAOTQQRSKWRB-DANNLKNASA-N 2 1 323.278 3.253 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCc4ccccc4N3)CC[NH2+]2)cc1 ZINC001246345235 1104501357 /nfs/dbraw/zinc/50/13/57/1104501357.db2.gz DICIFFDMAYNARB-DYXWJJEUSA-N 2 1 321.468 3.496 20 0 DGADMP Nc1cccc(CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246350891 1104502224 /nfs/dbraw/zinc/50/22/24/1104502224.db2.gz NFKLZDFEOXUDQJ-UXHICEINSA-N 2 1 309.457 3.284 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246364715 1104509411 /nfs/dbraw/zinc/50/94/11/1104509411.db2.gz UNXKKISUAULMLL-WSTZPKSXSA-N 2 1 315.505 3.332 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246364146 1104509909 /nfs/dbraw/zinc/50/99/09/1104509909.db2.gz SRQMLSSWQWDLKG-SJORKVTESA-N 2 1 307.526 3.294 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246364155 1104510131 /nfs/dbraw/zinc/51/01/31/1104510131.db2.gz SYEYQGUHFZOHDD-UFYCRDLUSA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246364155 1104510137 /nfs/dbraw/zinc/51/01/37/1104510137.db2.gz SYEYQGUHFZOHDD-UFYCRDLUSA-N 3 1 319.537 3.153 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C[NH2+]1 ZINC001246383357 1104519038 /nfs/dbraw/zinc/51/90/38/1104519038.db2.gz IKRYBXNLCGULBH-IUODEOHRSA-N 2 1 312.379 3.368 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ncccc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246399533 1104526959 /nfs/dbraw/zinc/52/69/59/1104526959.db2.gz ZTULUSHZPBZKSR-MPKXVKKWSA-N 2 1 313.367 3.282 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ncccc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246399534 1104527378 /nfs/dbraw/zinc/52/73/78/1104527378.db2.gz ZTULUSHZPBZKSR-OSMZGAPFSA-N 2 1 313.367 3.282 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cncc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC001246400190 1104527973 /nfs/dbraw/zinc/52/79/73/1104527973.db2.gz NBWWQJAGEYQFHR-KMUNFCNLSA-N 2 1 313.367 3.282 20 0 DGADMP CCC[C@@H]([NH2+]C1CCC([NH2+]C)CC1)C(=O)OCc1ccccc1 ZINC001246403607 1104528900 /nfs/dbraw/zinc/52/89/00/1104528900.db2.gz GODUKNATQSSOMA-DAWZGUTISA-N 2 1 318.461 3.019 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCOc3cc(C(F)(F)F)ccc32)CC[NH2+]1 ZINC001246410444 1104531204 /nfs/dbraw/zinc/53/12/04/1104531204.db2.gz JPXIUZYESSLXKZ-SUHUHFCYSA-N 2 1 314.351 3.259 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246415084 1104533568 /nfs/dbraw/zinc/53/35/68/1104533568.db2.gz XNMBKWNUTBKSNH-ZWKOTPCHSA-N 2 1 304.478 3.000 20 0 DGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246444586 1104541658 /nfs/dbraw/zinc/54/16/58/1104541658.db2.gz XYMREYCQDVBLIR-WBAXXEDZSA-N 3 1 323.912 3.410 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246448176 1104543503 /nfs/dbraw/zinc/54/35/03/1104543503.db2.gz RRVSZZDSTRFJSP-FRYIKTPZSA-N 3 1 315.505 3.207 20 0 DGADMP CC(C)[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246452213 1104544198 /nfs/dbraw/zinc/54/41/98/1104544198.db2.gz IWRSEOFHZUYHKP-IZZQQSIFSA-N 2 1 303.494 3.016 20 0 DGADMP C(C1CCC1)C1(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246449826 1104544709 /nfs/dbraw/zinc/54/47/09/1104544709.db2.gz YKXKAOMACWGQQB-GOSISDBHSA-N 2 1 319.537 3.295 20 0 DGADMP CCC[C@@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC001246456972 1104545882 /nfs/dbraw/zinc/54/58/82/1104545882.db2.gz QJIFKFNTWOBZKN-HOJAQTOUSA-N 2 1 315.505 3.161 20 0 DGADMP CCC[C@@]1(C[NH2+][C@H]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246458816 1104547830 /nfs/dbraw/zinc/54/78/30/1104547830.db2.gz CFGRYILMQOJWRB-HOTGVXAUSA-N 2 1 323.278 3.038 20 0 DGADMP CCOC(C)(C)C[N@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274942897 1104549272 /nfs/dbraw/zinc/54/92/72/1104549272.db2.gz JULXUBHJMVTPML-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274942897 1104549278 /nfs/dbraw/zinc/54/92/78/1104549278.db2.gz JULXUBHJMVTPML-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274942897 1104549281 /nfs/dbraw/zinc/54/92/81/1104549281.db2.gz JULXUBHJMVTPML-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274942897 1104549285 /nfs/dbraw/zinc/54/92/85/1104549285.db2.gz JULXUBHJMVTPML-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274942897 1104549290 /nfs/dbraw/zinc/54/92/90/1104549290.db2.gz JULXUBHJMVTPML-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246487981 1104561438 /nfs/dbraw/zinc/56/14/38/1104561438.db2.gz UTQBLJJTEAMWRZ-BPQIPLTHSA-N 2 1 318.461 3.006 20 0 DGADMP CCC[C@H]1CC[C@H](C2CCC([NH2+]C[C@@H]3C[NH2+]CCN3)CC2)CC1 ZINC001246491588 1104563536 /nfs/dbraw/zinc/56/35/36/1104563536.db2.gz UFDJYOLCWUGHJZ-QNGUGAFLSA-N 2 1 321.553 3.303 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+]C(C[NH3+])(CCC)CCC ZINC001246495227 1104564847 /nfs/dbraw/zinc/56/48/47/1104564847.db2.gz IKTSYNVIFULRNM-HNNXBMFYSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246496018 1104565155 /nfs/dbraw/zinc/56/51/55/1104565155.db2.gz SLRZKXRILREXJC-QKCSRTOESA-N 2 1 324.266 3.036 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246496016 1104565524 /nfs/dbraw/zinc/56/55/24/1104565524.db2.gz SLRZKXRILREXJC-OSMZGAPFSA-N 2 1 324.266 3.036 20 0 DGADMP CCCC[C@@H](CC)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246499182 1104566568 /nfs/dbraw/zinc/56/65/68/1104566568.db2.gz CMWXQDMHFDIIKE-CABCVRRESA-N 2 1 300.487 3.384 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246499198 1104567423 /nfs/dbraw/zinc/56/74/23/1104567423.db2.gz SWQBAJGAANXTIE-SWHYSGLUSA-N 2 1 313.272 3.438 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N[C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246516322 1104574455 /nfs/dbraw/zinc/57/44/55/1104574455.db2.gz VKTDCKCRSMZQBK-MSOLQXFVSA-N 2 1 319.537 3.438 20 0 DGADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246520590 1104575985 /nfs/dbraw/zinc/57/59/85/1104575985.db2.gz SVBGJLUMFCAJOH-NHCUHLMSSA-N 2 1 306.453 3.408 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC001246520620 1104576073 /nfs/dbraw/zinc/57/60/73/1104576073.db2.gz UELKGGWTGSWRFP-HKUYNNGSSA-N 2 1 301.478 3.119 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246519802 1104576415 /nfs/dbraw/zinc/57/64/15/1104576415.db2.gz ULSFOSJFDOVXQG-MPKXVKKWSA-N 2 1 313.367 3.282 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246526972 1104578491 /nfs/dbraw/zinc/57/84/91/1104578491.db2.gz DGPAANVNDJRWDO-ZWKOTPCHSA-N 2 1 321.896 3.239 20 0 DGADMP Clc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246530640 1104579851 /nfs/dbraw/zinc/57/98/51/1104579851.db2.gz OUDQZBSDGYVNBH-ALXJQNPVSA-N 2 1 319.880 3.135 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C)c3)CC2)CC[NH2+]1 ZINC001246536166 1104581291 /nfs/dbraw/zinc/58/12/91/1104581291.db2.gz CIVIKQACYLNJIQ-QUCCMNQESA-N 2 1 315.505 3.428 20 0 DGADMP CC1(C)C[C@H](N2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246537830 1104583126 /nfs/dbraw/zinc/58/31/26/1104583126.db2.gz DFTFCONIYRCYEC-MOPGFXCFSA-N 2 1 315.505 3.243 20 0 DGADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccccc3C)CC2)CC[NH2+]1 ZINC001246537567 1104583159 /nfs/dbraw/zinc/58/31/59/1104583159.db2.gz KQFBSPIRZWNYIP-RBUKOAKNSA-N 2 1 315.505 3.428 20 0 DGADMP CC[C@@H]1CC([NH+]2CCN(c3ccc(F)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246539570 1104584027 /nfs/dbraw/zinc/58/40/27/1104584027.db2.gz RLIHIKMLITZUBQ-IAGOWNOFSA-N 2 1 319.468 3.257 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001246544225 1104585265 /nfs/dbraw/zinc/58/52/65/1104585265.db2.gz WUFDLWGNYYZMGH-CVEARBPZSA-N 2 1 323.278 3.120 20 0 DGADMP CC(=O)Oc1ccc(C2CCC([N@@H+]3CC[C@@H]([NH3+])[C@H]3C)CC2)cc1 ZINC001246540383 1104585323 /nfs/dbraw/zinc/58/53/23/1104585323.db2.gz DTNVKACYFADZJJ-DKAIPBERSA-N 2 1 316.445 3.060 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C[C@H]1C[NH3+] ZINC001246540971 1104586325 /nfs/dbraw/zinc/58/63/25/1104586325.db2.gz LEMMRNISEAINCL-GDLCADMTSA-N 2 1 313.272 3.377 20 0 DGADMP CC1(C)C[C@H](N2CCC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541064 1104586375 /nfs/dbraw/zinc/58/63/75/1104586375.db2.gz LMEKPVSWBGGTNB-RBUKOAKNSA-N 2 1 315.505 3.243 20 0 DGADMP CC1(C)C[C@H](N2CCC[C@](C)([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246541063 1104586532 /nfs/dbraw/zinc/58/65/32/1104586532.db2.gz NQSOXERHSACOSY-QUCCMNQESA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1CC[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246548730 1104587593 /nfs/dbraw/zinc/58/75/93/1104587593.db2.gz GCNFDMJUFKNKOS-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]1CC([N@@H+]2CCc3cc(OC)ccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246550049 1104590160 /nfs/dbraw/zinc/59/01/60/1104590160.db2.gz NLTZOVQHKAZAAC-IAGOWNOFSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCc3cc(OC)ccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246550049 1104590168 /nfs/dbraw/zinc/59/01/68/1104590168.db2.gz NLTZOVQHKAZAAC-IAGOWNOFSA-N 2 1 302.462 3.363 20 0 DGADMP C1=CC[C@@H](C[N@@H+]2CCC[C@@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040955 1104591116 /nfs/dbraw/zinc/59/11/16/1104591116.db2.gz XGSTZYRKNKFHKM-QUCCMNQESA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@@H](C[N@H+]2CCC[C@@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040955 1104591123 /nfs/dbraw/zinc/59/11/23/1104591123.db2.gz XGSTZYRKNKFHKM-QUCCMNQESA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@@H](C[NH+]2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001275040955 1104591132 /nfs/dbraw/zinc/59/11/32/1104591132.db2.gz XGSTZYRKNKFHKM-QUCCMNQESA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@@H](C[NH+]2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001275040955 1104591139 /nfs/dbraw/zinc/59/11/39/1104591139.db2.gz XGSTZYRKNKFHKM-QUCCMNQESA-N 2 1 318.505 3.452 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551362 1104591675 /nfs/dbraw/zinc/59/16/75/1104591675.db2.gz QCTJVHXSAYSZQV-KBPBESRZSA-N 2 1 322.880 3.137 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551362 1104591683 /nfs/dbraw/zinc/59/16/83/1104591683.db2.gz QCTJVHXSAYSZQV-KBPBESRZSA-N 2 1 322.880 3.137 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246553446 1104593642 /nfs/dbraw/zinc/59/36/42/1104593642.db2.gz SHUZNBYATXQTSJ-JMLCCBQJSA-N 2 1 310.482 3.090 20 0 DGADMP CC(C)(C)C[N@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275051375 1104594254 /nfs/dbraw/zinc/59/42/54/1104594254.db2.gz YUHCALBVWWNNMV-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275051375 1104594261 /nfs/dbraw/zinc/59/42/61/1104594261.db2.gz YUHCALBVWWNNMV-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275051375 1104594267 /nfs/dbraw/zinc/59/42/67/1104594267.db2.gz YUHCALBVWWNNMV-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001246560708 1104594612 /nfs/dbraw/zinc/59/46/12/1104594612.db2.gz SCLUOGZRCGLVQA-SOEBMCCKSA-N 2 1 324.509 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558032 1104595302 /nfs/dbraw/zinc/59/53/02/1104595302.db2.gz NUISUVHQVGBGHI-QWHCGFSZSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558032 1104595309 /nfs/dbraw/zinc/59/53/09/1104595309.db2.gz NUISUVHQVGBGHI-QWHCGFSZSA-N 2 1 314.807 3.113 20 0 DGADMP C[C@@H]1C[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CCC[C@H]1C[NH3+] ZINC001246559478 1104596503 /nfs/dbraw/zinc/59/65/03/1104596503.db2.gz AKUDDASBEDJTIZ-GYXIZQIFSA-N 2 1 324.509 3.194 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CCC[C@@H]1C[NH3+] ZINC001246566621 1104597150 /nfs/dbraw/zinc/59/71/50/1104597150.db2.gz JGICTNMOSAYWSO-XNRPHZJLSA-N 2 1 308.416 3.129 20 0 DGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275058400 1104598807 /nfs/dbraw/zinc/59/88/07/1104598807.db2.gz RVZNGGISJYUKBR-QRVBRYPASA-N 2 1 307.526 3.079 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275061476 1104600907 /nfs/dbraw/zinc/60/09/07/1104600907.db2.gz HGSOIZJEJYSPDW-INIZCTEOSA-N 2 1 304.482 3.134 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001246573024 1104601490 /nfs/dbraw/zinc/60/14/90/1104601490.db2.gz DVYIPVVFZBJXQR-FQEVSTJZSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246573024 1104601497 /nfs/dbraw/zinc/60/14/97/1104601497.db2.gz DVYIPVVFZBJXQR-FQEVSTJZSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246573024 1104601501 /nfs/dbraw/zinc/60/15/01/1104601501.db2.gz DVYIPVVFZBJXQR-FQEVSTJZSA-N 3 1 315.505 3.102 20 0 DGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275071514 1104607526 /nfs/dbraw/zinc/60/75/26/1104607526.db2.gz HOWRXUXXORSXAU-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CCC(CC)C[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275071514 1104607536 /nfs/dbraw/zinc/60/75/36/1104607536.db2.gz HOWRXUXXORSXAU-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CCC(CC)C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275071514 1104607542 /nfs/dbraw/zinc/60/75/42/1104607542.db2.gz HOWRXUXXORSXAU-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246593363 1104609448 /nfs/dbraw/zinc/60/94/48/1104609448.db2.gz MLKLIGISIHPUBM-LPHOPBHVSA-N 2 1 318.461 3.187 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2C[C@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246595069 1104612718 /nfs/dbraw/zinc/61/27/18/1104612718.db2.gz XLRKVSYNYQDRGJ-TXPKVOOTSA-N 2 1 324.509 3.351 20 0 DGADMP C1CC2(C1)C[C@H]([NH+]1CCCC3(CCCC[NH2+]C3)CCC1)CC[NH2+]2 ZINC001246593702 1104612908 /nfs/dbraw/zinc/61/29/08/1104612908.db2.gz HTJFJPMGXZKDTG-GOSISDBHSA-N 3 1 319.537 3.297 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599251 1104615638 /nfs/dbraw/zinc/61/56/38/1104615638.db2.gz BQOGSJZQQFULHO-FHWLQOOXSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599251 1104615643 /nfs/dbraw/zinc/61/56/43/1104615643.db2.gz BQOGSJZQQFULHO-FHWLQOOXSA-N 3 1 307.526 3.009 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](CC)C[C@@H](C)CC)CC[NH2+]CC2 ZINC001246599532 1104616512 /nfs/dbraw/zinc/61/65/12/1104616512.db2.gz DQWOFJYCFOUTBB-ULQDDVLXSA-N 2 1 324.509 3.208 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246601992 1104617817 /nfs/dbraw/zinc/61/78/17/1104617817.db2.gz AUTUFHXHMPAKMR-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246600961 1104617921 /nfs/dbraw/zinc/61/79/21/1104617921.db2.gz FKZJLJGLKITBRK-FQEVSTJZSA-N 3 1 319.537 3.107 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246600961 1104617925 /nfs/dbraw/zinc/61/79/25/1104617925.db2.gz FKZJLJGLKITBRK-FQEVSTJZSA-N 3 1 319.537 3.107 20 0 DGADMP CCCC[C@@H](CCC)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246605604 1104621734 /nfs/dbraw/zinc/62/17/34/1104621734.db2.gz VMHPXNPXNXCIJQ-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246605732 1104621865 /nfs/dbraw/zinc/62/18/65/1104621865.db2.gz COKDMEKDWRGVSY-RJYAGPCLSA-N 2 1 322.493 3.105 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246604781 1104622480 /nfs/dbraw/zinc/62/24/80/1104622480.db2.gz IVRIMYHDEOKGTJ-QFBILLFUSA-N 2 1 320.427 3.430 20 0 DGADMP Fc1cccc2c1C[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CC2 ZINC001246608483 1104624216 /nfs/dbraw/zinc/62/42/16/1104624216.db2.gz HEQVFHRJJBSFEX-MRXNPFEDSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609780 1104624681 /nfs/dbraw/zinc/62/46/81/1104624681.db2.gz NRJRNUDWUBTDGK-ACJLOTCBSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609780 1104624689 /nfs/dbraw/zinc/62/46/89/1104624689.db2.gz NRJRNUDWUBTDGK-ACJLOTCBSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607831 1104624744 /nfs/dbraw/zinc/62/47/44/1104624744.db2.gz FXLMVCSJUHJJDR-VQIMIIECSA-N 2 1 302.437 3.149 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609261 1104624896 /nfs/dbraw/zinc/62/48/96/1104624896.db2.gz MBRUSPBLEWULDM-IEBWSBKVSA-N 2 1 301.478 3.258 20 0 DGADMP Fc1cccc(N2CCC([N@H+]3CCC[C@]34CCC[NH2+]C4)CC2)c1 ZINC001246608256 1104624950 /nfs/dbraw/zinc/62/49/50/1104624950.db2.gz IRBJCDIEDVLZFP-IBGZPJMESA-N 2 1 317.452 3.013 20 0 DGADMP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246614427 1104628484 /nfs/dbraw/zinc/62/84/84/1104628484.db2.gz BAIWJUULIVQTRV-IEBWSBKVSA-N 2 1 306.494 3.334 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CS2 ZINC001246613843 1104628821 /nfs/dbraw/zinc/62/88/21/1104628821.db2.gz QZOIXZRFFHUPAB-WMZOPIPTSA-N 2 1 302.487 3.169 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246615146 1104629927 /nfs/dbraw/zinc/62/99/27/1104629927.db2.gz QJKJGAZJPBLYEX-CTWPCTMYSA-N 3 1 307.526 3.248 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246615146 1104629932 /nfs/dbraw/zinc/62/99/32/1104629932.db2.gz QJKJGAZJPBLYEX-CTWPCTMYSA-N 2 1 307.526 3.248 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620693 1104630968 /nfs/dbraw/zinc/63/09/68/1104630968.db2.gz OAQDNOHCFKQNQV-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620693 1104630975 /nfs/dbraw/zinc/63/09/75/1104630975.db2.gz OAQDNOHCFKQNQV-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275120104 1104634621 /nfs/dbraw/zinc/63/46/21/1104634621.db2.gz FCBDYICCZRMEHO-CALCHBBNSA-N 2 1 317.477 3.121 20 0 DGADMP CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275120104 1104634623 /nfs/dbraw/zinc/63/46/23/1104634623.db2.gz FCBDYICCZRMEHO-CALCHBBNSA-N 2 1 317.477 3.121 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246626024 1104634654 /nfs/dbraw/zinc/63/46/54/1104634654.db2.gz QYFVTATXUCSZHM-UTUOFQBUSA-N 2 1 314.807 3.091 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246626024 1104634656 /nfs/dbraw/zinc/63/46/56/1104634656.db2.gz QYFVTATXUCSZHM-UTUOFQBUSA-N 2 1 314.807 3.091 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634412 1104637821 /nfs/dbraw/zinc/63/78/21/1104637821.db2.gz NMHAGJYNFSPPSC-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246632642 1104638639 /nfs/dbraw/zinc/63/86/39/1104638639.db2.gz YPZSIQUKDVUPKN-YSTOQKLRSA-N 2 1 314.473 3.023 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246633204 1104638751 /nfs/dbraw/zinc/63/87/51/1104638751.db2.gz JZMMSYAZQCJJBP-VQIMIIECSA-N 2 1 320.427 3.430 20 0 DGADMP C1CCC2(C1)CCC([N@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633057 1104638779 /nfs/dbraw/zinc/63/87/79/1104638779.db2.gz DGUDRESRANNZGB-LJQANCHMSA-N 2 1 306.494 3.191 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001246637451 1104640642 /nfs/dbraw/zinc/64/06/42/1104640642.db2.gz YSDVPKGECVNFFJ-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246646751 1104643587 /nfs/dbraw/zinc/64/35/87/1104643587.db2.gz HTABIQCXBWFBAX-YUELXQCFSA-N 2 1 312.379 3.178 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647685 1104645699 /nfs/dbraw/zinc/64/56/99/1104645699.db2.gz MLNXBIGTRXLEGV-MOPGFXCFSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CCN2)cc1 ZINC001246647685 1104645702 /nfs/dbraw/zinc/64/57/02/1104645702.db2.gz MLNXBIGTRXLEGV-MOPGFXCFSA-N 3 1 313.489 3.088 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650959 1104647105 /nfs/dbraw/zinc/64/71/05/1104647105.db2.gz KRAIZDZLGJXGPP-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650959 1104647107 /nfs/dbraw/zinc/64/71/07/1104647107.db2.gz KRAIZDZLGJXGPP-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246650469 1104647762 /nfs/dbraw/zinc/64/77/62/1104647762.db2.gz INSFTSSCHGXZLR-ACBHZAAOSA-N 3 1 307.526 3.248 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246650469 1104647765 /nfs/dbraw/zinc/64/77/65/1104647765.db2.gz INSFTSSCHGXZLR-ACBHZAAOSA-N 2 1 307.526 3.248 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246653610 1104649477 /nfs/dbraw/zinc/64/94/77/1104649477.db2.gz IMDRFIJBZQQZBR-GUDVDZBRSA-N 3 1 307.526 3.151 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C2 ZINC001246653629 1104649591 /nfs/dbraw/zinc/64/95/91/1104649591.db2.gz IPLPBUYVHQJURE-APWZRJJASA-N 2 1 302.437 3.147 20 0 DGADMP CC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275151815 1104655383 /nfs/dbraw/zinc/65/53/83/1104655383.db2.gz QQBZEKFDZUSWNO-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)CC[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275151815 1104655387 /nfs/dbraw/zinc/65/53/87/1104655387.db2.gz QQBZEKFDZUSWNO-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)CC[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275151815 1104655391 /nfs/dbraw/zinc/65/53/91/1104655391.db2.gz QQBZEKFDZUSWNO-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@H](C)CCCC(C)C)C[C@@H]1CC[NH2+]CC2 ZINC001246675927 1104657119 /nfs/dbraw/zinc/65/71/19/1104657119.db2.gz BNXGSWAEQLLACL-AOIWGVFYSA-N 2 1 324.509 3.066 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246678439 1104658519 /nfs/dbraw/zinc/65/85/19/1104658519.db2.gz NNAICCHRPAQYAY-KSZLIROESA-N 2 1 324.509 3.210 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CS2 ZINC001246677707 1104658850 /nfs/dbraw/zinc/65/88/50/1104658850.db2.gz LJHNCHAPHOIHDY-KURKYZTESA-N 2 1 316.514 3.415 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246679591 1104660460 /nfs/dbraw/zinc/66/04/60/1104660460.db2.gz WCEMBKQQMBHWMH-XMTFNYHQSA-N 3 1 307.526 3.007 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001246694741 1104664051 /nfs/dbraw/zinc/66/40/51/1104664051.db2.gz SOTZIROHRKSNBJ-BMGDILEWSA-N 2 1 322.855 3.221 20 0 DGADMP C[NH2+]CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001246769211 1104667686 /nfs/dbraw/zinc/66/76/86/1104667686.db2.gz QRHOJOARKSYKKK-DILOTOHQSA-N 2 1 314.473 3.181 20 0 DGADMP C[C@H]1CC([N@@H+](C)Cc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC001246774083 1104669110 /nfs/dbraw/zinc/66/91/10/1104669110.db2.gz BLOSWOUQVQLXRS-RYUDHWBXSA-N 2 1 311.267 3.410 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246780330 1104670263 /nfs/dbraw/zinc/67/02/63/1104670263.db2.gz CLZYRZGWQSHOOZ-WMZOPIPTSA-N 2 1 318.436 3.201 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246781442 1104670553 /nfs/dbraw/zinc/67/05/53/1104670553.db2.gz FIYUENGHIUYPMZ-JQHSSLGASA-N 2 1 320.452 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246788164 1104675151 /nfs/dbraw/zinc/67/51/51/1104675151.db2.gz NQKZIADYUFWNOT-FHLIZLRMSA-N 2 1 322.880 3.462 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246795391 1104678939 /nfs/dbraw/zinc/67/89/39/1104678939.db2.gz AXYBPPVRQVJHPE-JKSUJKDBSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246793698 1104679391 /nfs/dbraw/zinc/67/93/91/1104679391.db2.gz CYAGDJKRQJQEKM-KRWDZBQOSA-N 2 1 318.461 3.058 20 0 DGADMP c1cc2c(s1)C[N@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246793708 1104679913 /nfs/dbraw/zinc/67/99/13/1104679913.db2.gz CYQLBRWSBDEUEG-QZTJIDSGSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)C[N@@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246793708 1104679919 /nfs/dbraw/zinc/67/99/19/1104679919.db2.gz CYQLBRWSBDEUEG-QZTJIDSGSA-N 2 1 312.482 3.470 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246798275 1104680489 /nfs/dbraw/zinc/68/04/89/1104680489.db2.gz NUGRTGLLMCRKIP-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246796669 1104680723 /nfs/dbraw/zinc/68/07/23/1104680723.db2.gz JXUAXEPDAVBOLL-JTDSTZFVSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804095 1104682311 /nfs/dbraw/zinc/68/23/11/1104682311.db2.gz LFTYZDZEPNVHFD-DOTOQJQBSA-N 2 1 320.502 3.316 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804095 1104682317 /nfs/dbraw/zinc/68/23/17/1104682317.db2.gz LFTYZDZEPNVHFD-DOTOQJQBSA-N 2 1 320.502 3.316 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246801926 1104682597 /nfs/dbraw/zinc/68/25/97/1104682597.db2.gz URFRBMOQQDHFSE-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2OC)CC[NH2+]1 ZINC001246812568 1104686686 /nfs/dbraw/zinc/68/66/86/1104686686.db2.gz DSWNJKYHUITMCZ-MSOLQXFVSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246812419 1104686858 /nfs/dbraw/zinc/68/68/58/1104686858.db2.gz CSVHIMCZHZGKLA-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2OC)CC[NH2+]1 ZINC001246812570 1104687382 /nfs/dbraw/zinc/68/73/82/1104687382.db2.gz DSWNJKYHUITMCZ-QZTJIDSGSA-N 2 1 304.478 3.480 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246815099 1104688974 /nfs/dbraw/zinc/68/89/74/1104688974.db2.gz WADYXUUBZNBUGQ-FZMZJTMJSA-N 2 1 313.272 3.392 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)CCc2ccccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246815604 1104688989 /nfs/dbraw/zinc/68/89/89/1104688989.db2.gz ZDNRTKMMMZQKJY-IAGOWNOFSA-N 2 1 304.478 3.479 20 0 DGADMP Brc1ccc([C@@H]2CC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821224 1104692047 /nfs/dbraw/zinc/69/20/47/1104692047.db2.gz IYDZESRIOPBPCY-ZBFHGGJFSA-N 2 1 323.278 3.381 20 0 DGADMP Brc1ccc([C@@H]2CC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821224 1104692050 /nfs/dbraw/zinc/69/20/50/1104692050.db2.gz IYDZESRIOPBPCY-ZBFHGGJFSA-N 2 1 323.278 3.381 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c1C ZINC001246832417 1104696614 /nfs/dbraw/zinc/69/66/14/1104696614.db2.gz GQBSYLVLNXBORI-MOPGFXCFSA-N 2 1 315.505 3.202 20 0 DGADMP COCC[N@@H+]([C@H](C)CSc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246837493 1104697287 /nfs/dbraw/zinc/69/72/87/1104697287.db2.gz UPCMRXPDCYLUTG-MRXNPFEDSA-N 2 1 322.518 3.176 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246839611 1104699298 /nfs/dbraw/zinc/69/92/98/1104699298.db2.gz CXQMHRAHVIOYNU-YRPNKDGESA-N 2 1 314.473 3.341 20 0 DGADMP COCC[N@@H+]([C@H](Cc1ccccc1)CC(C)C)C1CC[NH2+]CC1 ZINC001246838614 1104699886 /nfs/dbraw/zinc/69/98/86/1104699886.db2.gz YXMLDMSOHRQWRH-FQEVSTJZSA-N 2 1 318.505 3.344 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246840856 1104700885 /nfs/dbraw/zinc/70/08/85/1104700885.db2.gz RVOMNDUNBGNGKC-HNNXBMFYSA-N 2 1 323.278 3.413 20 0 DGADMP CC[C@@H]1C[C@H](N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246841969 1104700915 /nfs/dbraw/zinc/70/09/15/1104700915.db2.gz SDAHFTVONNKOAL-VAMGGRTRSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246842428 1104702569 /nfs/dbraw/zinc/70/25/69/1104702569.db2.gz RWMXZJDUNKIRQW-QYZOEREBSA-N 2 1 302.462 3.198 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246842346 1104703287 /nfs/dbraw/zinc/70/32/87/1104703287.db2.gz PIJLEYOQCOJJOK-RTBURBONSA-N 2 1 314.473 3.342 20 0 DGADMP CC[N@@H+](CCN1CCCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246842911 1104703619 /nfs/dbraw/zinc/70/36/19/1104703619.db2.gz AEAXWGAELNPERU-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1C ZINC001275280707 1104705516 /nfs/dbraw/zinc/70/55/16/1104705516.db2.gz CFQYPAIJEFSZMM-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C)c1C ZINC001275280707 1104705523 /nfs/dbraw/zinc/70/55/23/1104705523.db2.gz CFQYPAIJEFSZMM-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(C)c1C ZINC001275280707 1104705532 /nfs/dbraw/zinc/70/55/32/1104705532.db2.gz CFQYPAIJEFSZMM-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCN([C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246852103 1104706875 /nfs/dbraw/zinc/70/68/75/1104706875.db2.gz PFBZYAIYWVLICJ-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246848918 1104706998 /nfs/dbraw/zinc/70/69/98/1104706998.db2.gz CVUSRWAHESXTIX-ONYGOOLBSA-N 2 1 320.864 3.466 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848678 1104707073 /nfs/dbraw/zinc/70/70/73/1104707073.db2.gz ZPVHNKGLSSXXBL-HZPDHXFCSA-N 2 1 304.434 3.158 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848678 1104707080 /nfs/dbraw/zinc/70/70/80/1104707080.db2.gz ZPVHNKGLSSXXBL-HZPDHXFCSA-N 2 1 304.434 3.158 20 0 DGADMP CC[C@H]1CC([N@H+](C)Cc2cccc(OC)c2OC)C[C@H](CC)[NH2+]1 ZINC001246867393 1104714126 /nfs/dbraw/zinc/71/41/26/1104714126.db2.gz HRYGMPCSOJLUPT-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H]1CC([N@@H+](C)Cc2cccc(OC)c2OC)C[C@H](CC)[NH2+]1 ZINC001246867393 1104714134 /nfs/dbraw/zinc/71/41/34/1104714134.db2.gz HRYGMPCSOJLUPT-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246873766 1104716344 /nfs/dbraw/zinc/71/63/44/1104716344.db2.gz ALFJEKSGNGMOAQ-ZWKOTPCHSA-N 2 1 314.473 3.407 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246881274 1104720041 /nfs/dbraw/zinc/72/00/41/1104720041.db2.gz YZNQYQZBERSHDX-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246881093 1104720057 /nfs/dbraw/zinc/72/00/57/1104720057.db2.gz XQCFDBQZBOYQPO-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880025 1104720170 /nfs/dbraw/zinc/72/01/70/1104720170.db2.gz OMTWALGPEUYQGM-SCWSEQNSSA-N 2 1 324.443 3.230 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246882751 1104721840 /nfs/dbraw/zinc/72/18/40/1104721840.db2.gz NQDMOXAXAMUHSP-HTUJPFKRSA-N 2 1 314.473 3.233 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246883093 1104722144 /nfs/dbraw/zinc/72/21/44/1104722144.db2.gz UUJJYIXSUWZLMF-WUJZJPHMSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246889907 1104725642 /nfs/dbraw/zinc/72/56/42/1104725642.db2.gz GUXNZQNDYOBOOU-QFBILLFUSA-N 2 1 315.505 3.247 20 0 DGADMP CC1(C)C[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001246892936 1104725917 /nfs/dbraw/zinc/72/59/17/1104725917.db2.gz KJRYLGILDLLNSU-ROUUACIJSA-N 2 1 316.489 3.239 20 0 DGADMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc3sccc32)CC1 ZINC001246894955 1104727024 /nfs/dbraw/zinc/72/70/24/1104727024.db2.gz BPDCHRJPLCMQTM-AWEZNQCLSA-N 2 1 303.475 3.021 20 0 DGADMP Cc1cc(F)ccc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246895150 1104727352 /nfs/dbraw/zinc/72/73/52/1104727352.db2.gz PQSDOCJDODXNKR-ZWKOTPCHSA-N 2 1 319.468 3.033 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904447 1104729883 /nfs/dbraw/zinc/72/98/83/1104729883.db2.gz GAHNVXCWFMTGPK-IAGOWNOFSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3c(cccc3OC)C2)CC[NH2+]1 ZINC001246904447 1104729887 /nfs/dbraw/zinc/72/98/87/1104729887.db2.gz GAHNVXCWFMTGPK-IAGOWNOFSA-N 2 1 302.462 3.364 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246904762 1104730331 /nfs/dbraw/zinc/73/03/31/1104730331.db2.gz YGXYDDPWGWXHRF-NCOADZHNSA-N 2 1 324.509 3.349 20 0 DGADMP C[C@@H]1C[C@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246908142 1104731249 /nfs/dbraw/zinc/73/12/49/1104731249.db2.gz FZICYDNUOGOQHT-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP Nc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246907401 1104732875 /nfs/dbraw/zinc/73/28/75/1104732875.db2.gz VCDFCPBJKUADGW-VQTJNVASSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246907401 1104732884 /nfs/dbraw/zinc/73/28/84/1104732884.db2.gz VCDFCPBJKUADGW-VQTJNVASSA-N 2 1 307.441 3.120 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC001246911223 1104733803 /nfs/dbraw/zinc/73/38/03/1104733803.db2.gz AHTCGKICVWQXLM-JQHSSLGASA-N 2 1 302.462 3.090 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246913210 1104736058 /nfs/dbraw/zinc/73/60/58/1104736058.db2.gz PUKFDBPMNFUVGO-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246922933 1104738099 /nfs/dbraw/zinc/73/80/99/1104738099.db2.gz MQZVETUIASCCTP-ICSRJNTNSA-N 2 1 316.489 3.482 20 0 DGADMP C[NH+](C)C1CCC([N@H+](Cc2ccccc2)[C@@H]2CCCNC2)CC1 ZINC001246927807 1104739965 /nfs/dbraw/zinc/73/99/65/1104739965.db2.gz XMVYPARQHLGFPZ-SOAGJPPSSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](Cc2ccccc2)[C@@H]2CCCNC2)CC1 ZINC001246927807 1104739969 /nfs/dbraw/zinc/73/99/69/1104739969.db2.gz XMVYPARQHLGFPZ-SOAGJPPSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](CCCCCCO)Cc2ccccc2)CC[NH2+]1 ZINC001246925232 1104740402 /nfs/dbraw/zinc/74/04/02/1104740402.db2.gz LSXITCHBRCYHEN-IEBWSBKVSA-N 2 1 304.478 3.182 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246932241 1104741508 /nfs/dbraw/zinc/74/15/08/1104741508.db2.gz ZGIYAIDQULUGCZ-SJORKVTESA-N 2 1 302.462 3.405 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246932048 1104741630 /nfs/dbraw/zinc/74/16/30/1104741630.db2.gz OXUCTSKDIKUGIB-SOUVJXGZSA-N 2 1 308.466 3.238 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246930299 1104742043 /nfs/dbraw/zinc/74/20/43/1104742043.db2.gz UATUEFHTYSMSKP-HRBLRVMOSA-N 2 1 300.446 3.158 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936415 1104742636 /nfs/dbraw/zinc/74/26/36/1104742636.db2.gz IRGPIDBVKPPQCU-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP c1ccc(OC2CCC([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246941971 1104745969 /nfs/dbraw/zinc/74/59/69/1104745969.db2.gz NFMYQYIBCRQCNY-ZVBHREPYSA-N 2 1 314.473 3.308 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CCC2 ZINC001246944629 1104746902 /nfs/dbraw/zinc/74/69/02/1104746902.db2.gz IOIYZYJBXCZYHM-GOSISDBHSA-N 2 1 314.473 3.366 20 0 DGADMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)nc1 ZINC001275402039 1104747546 /nfs/dbraw/zinc/74/75/46/1104747546.db2.gz XYIYDPLFHFAUTK-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP CC[C@@H]1CC([NH+]2CCN(c3cccc(F)c3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246948759 1104747894 /nfs/dbraw/zinc/74/78/94/1104747894.db2.gz LHRBMCMLPNWPDS-IAGOWNOFSA-N 2 1 319.468 3.257 20 0 DGADMP CC(C)(C)C[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246951322 1104749551 /nfs/dbraw/zinc/74/95/51/1104749551.db2.gz UHZPDEAFEZVVHT-DLBZAZTESA-N 3 1 309.542 3.253 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246951322 1104749553 /nfs/dbraw/zinc/74/95/53/1104749553.db2.gz UHZPDEAFEZVVHT-DLBZAZTESA-N 3 1 309.542 3.253 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246952201 1104751540 /nfs/dbraw/zinc/75/15/40/1104751540.db2.gz JPDAXLNDNNNVAD-MNZLEMJZSA-N 2 1 301.478 3.460 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246963348 1104753727 /nfs/dbraw/zinc/75/37/27/1104753727.db2.gz AENJULUMHXLVAN-LBTNJELSSA-N 2 1 320.502 3.314 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246963348 1104753728 /nfs/dbraw/zinc/75/37/28/1104753728.db2.gz AENJULUMHXLVAN-LBTNJELSSA-N 2 1 320.502 3.314 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246967997 1104755354 /nfs/dbraw/zinc/75/53/54/1104755354.db2.gz QFQNUXMUIXZHAO-ONYGOOLBSA-N 2 1 318.486 3.068 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246967997 1104755358 /nfs/dbraw/zinc/75/53/58/1104755358.db2.gz QFQNUXMUIXZHAO-ONYGOOLBSA-N 2 1 318.486 3.068 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ncccc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246972846 1104756468 /nfs/dbraw/zinc/75/64/68/1104756468.db2.gz JOZOZSWTZYULOQ-VSZNYVQBSA-N 2 1 317.477 3.152 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)C[C@H](CC)[NH2+]1 ZINC001246972455 1104757089 /nfs/dbraw/zinc/75/70/89/1104757089.db2.gz IFTJGIYTXPNYQU-VSZNYVQBSA-N 2 1 317.477 3.152 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973692 1104757167 /nfs/dbraw/zinc/75/71/67/1104757167.db2.gz PIKZBFGHYJXRQO-RHSMWYFYSA-N 2 1 302.437 3.147 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246976945 1104759435 /nfs/dbraw/zinc/75/94/35/1104759435.db2.gz GMJHJLZVPKQGGP-QAPCUYQASA-N 2 1 318.461 3.404 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976840 1104759917 /nfs/dbraw/zinc/75/99/17/1104759917.db2.gz YIIUFGJLORBSKG-FGTMMUONSA-N 2 1 317.477 3.154 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976840 1104759921 /nfs/dbraw/zinc/75/99/21/1104759921.db2.gz YIIUFGJLORBSKG-FGTMMUONSA-N 2 1 317.477 3.154 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001275443226 1104760010 /nfs/dbraw/zinc/76/00/10/1104760010.db2.gz CRYUKPOOPGJRMC-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001275443226 1104760013 /nfs/dbraw/zinc/76/00/13/1104760013.db2.gz CRYUKPOOPGJRMC-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001275443226 1104760015 /nfs/dbraw/zinc/76/00/15/1104760015.db2.gz CRYUKPOOPGJRMC-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)c1 ZINC001246976721 1104760305 /nfs/dbraw/zinc/76/03/05/1104760305.db2.gz AOJAKFZJUURIQR-AVAKVYKDSA-N 2 1 318.436 3.201 20 0 DGADMP C[NH2+]C1CCC([N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC001246983810 1104762106 /nfs/dbraw/zinc/76/21/06/1104762106.db2.gz JUQPVMLNQYJQGR-NXMBOHNASA-N 2 1 315.505 3.112 20 0 DGADMP FC1(F)C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@H]1Cc1ccccc1 ZINC001246987867 1104763352 /nfs/dbraw/zinc/76/33/52/1104763352.db2.gz NZVIKCUCKMAIGO-MHORFTMASA-N 2 1 320.427 3.184 20 0 DGADMP FC1(F)C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@H]1Cc1ccccc1 ZINC001246987867 1104763363 /nfs/dbraw/zinc/76/33/63/1104763363.db2.gz NZVIKCUCKMAIGO-MHORFTMASA-N 2 1 320.427 3.184 20 0 DGADMP FC1(F)C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@@H]1Cc1ccccc1 ZINC001246987869 1104764163 /nfs/dbraw/zinc/76/41/63/1104764163.db2.gz NZVIKCUCKMAIGO-XDNAFOTISA-N 2 1 320.427 3.184 20 0 DGADMP FC1(F)C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@@H]1Cc1ccccc1 ZINC001246987869 1104764169 /nfs/dbraw/zinc/76/41/69/1104764169.db2.gz NZVIKCUCKMAIGO-XDNAFOTISA-N 2 1 320.427 3.184 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)C2)n1 ZINC001246988306 1104765172 /nfs/dbraw/zinc/76/51/72/1104765172.db2.gz GAXLAAMSHAGTNF-RCCFBDPRSA-N 2 1 317.477 3.010 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246993081 1104766044 /nfs/dbraw/zinc/76/60/44/1104766044.db2.gz KFNRGWPPRFDJAN-LBTNJELSSA-N 2 1 316.445 3.139 20 0 DGADMP Fc1cc2c(cc1F)C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001247005191 1104773752 /nfs/dbraw/zinc/77/37/52/1104773752.db2.gz RNVKWSQYOGASEF-OAHLLOKOSA-N 2 1 306.400 3.245 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008014 1104774717 /nfs/dbraw/zinc/77/47/17/1104774717.db2.gz XQMJYEUTMZQUEO-FRFSOERESA-N 2 1 319.880 3.454 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008014 1104774722 /nfs/dbraw/zinc/77/47/22/1104774722.db2.gz XQMJYEUTMZQUEO-FRFSOERESA-N 2 1 319.880 3.454 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008958 1104776004 /nfs/dbraw/zinc/77/60/04/1104776004.db2.gz ZTZWSRSZHAOHQC-ODKXIHAASA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008958 1104776006 /nfs/dbraw/zinc/77/60/06/1104776006.db2.gz ZTZWSRSZHAOHQC-ODKXIHAASA-N 2 1 317.864 3.206 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Br)co3)(C1)CCC2 ZINC001275589533 1104822466 /nfs/dbraw/zinc/82/24/66/1104822466.db2.gz UNOAYTNHOJCNNQ-UONOGXRCSA-N 2 1 313.239 3.197 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+]CC=C(C)C)CC1 ZINC001275632570 1104840424 /nfs/dbraw/zinc/84/04/24/1104840424.db2.gz KABBOZWOCVPMCL-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)n1 ZINC001275875373 1104941110 /nfs/dbraw/zinc/94/11/10/1104941110.db2.gz UUBCUAZEZBAPJX-UXHICEINSA-N 2 1 324.472 3.443 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC001275888517 1104945860 /nfs/dbraw/zinc/94/58/60/1104945860.db2.gz IMGYREQDQMPAIN-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001247693268 1104957644 /nfs/dbraw/zinc/95/76/44/1104957644.db2.gz NHMXNKNTCAMRIO-NSHDSACASA-N 2 1 315.204 3.172 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCCOCc1ccccc1)CC2 ZINC001275971915 1104973783 /nfs/dbraw/zinc/97/37/83/1104973783.db2.gz ZLZKKBHTIWEFED-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1C(F)(F)F ZINC001275984895 1104978104 /nfs/dbraw/zinc/97/81/04/1104978104.db2.gz UAMSQRKJEAKKGK-GOOCMWNKSA-N 2 1 312.379 3.463 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1C(F)(F)F ZINC001275984895 1104978110 /nfs/dbraw/zinc/97/81/10/1104978110.db2.gz UAMSQRKJEAKKGK-GOOCMWNKSA-N 2 1 312.379 3.463 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276032192 1104992380 /nfs/dbraw/zinc/99/23/80/1104992380.db2.gz MOMKTTYKSDLKGX-IAGOWNOFSA-N 2 1 301.478 3.349 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001256746316 1105005233 /nfs/dbraw/zinc/00/52/33/1105005233.db2.gz VCFQPAIPWTVGDZ-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256746316 1105005242 /nfs/dbraw/zinc/00/52/42/1105005242.db2.gz VCFQPAIPWTVGDZ-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001256746316 1105005248 /nfs/dbraw/zinc/00/52/48/1105005248.db2.gz VCFQPAIPWTVGDZ-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP CCc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)nc1 ZINC001276092505 1105014852 /nfs/dbraw/zinc/01/48/52/1105014852.db2.gz MCPJVSZWJNFJBK-UHFFFAOYSA-N 2 1 324.472 3.070 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3cc(F)ccc13)CC2 ZINC001276092222 1105014966 /nfs/dbraw/zinc/01/49/66/1105014966.db2.gz IIKHWNUFPGBJKV-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(N3CCCC3)c1)CC2 ZINC001276157474 1105032815 /nfs/dbraw/zinc/03/28/15/1105032815.db2.gz LHUNMWNFWPWYAE-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000719951437 1105045091 /nfs/dbraw/zinc/04/50/91/1105045091.db2.gz AGMWPIZLMURXEW-XUVXKRRUSA-N 2 1 315.505 3.100 20 0 DGADMP Cc1ncoc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001276215017 1105051593 /nfs/dbraw/zinc/05/15/93/1105051593.db2.gz BTCGQWOJZSYFQO-MSOLQXFVSA-N 2 1 314.433 3.036 20 0 DGADMP Cc1cc(F)c(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1F ZINC001248194979 1105066194 /nfs/dbraw/zinc/06/61/94/1105066194.db2.gz QMJXAPZRFJQOFJ-AWEZNQCLSA-N 2 1 324.375 3.055 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)c4cc[nH]c43)C[C@@H]2C1 ZINC001248818696 1105170137 /nfs/dbraw/zinc/17/01/37/1105170137.db2.gz YEQYZYBIDXSTCP-GJZGRUSLSA-N 2 1 301.409 3.081 20 0 DGADMP Fc1ccc2[nH]cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001137333734 1105488996 /nfs/dbraw/zinc/48/89/96/1105488996.db2.gz QRXDGFKONYPEOT-UHFFFAOYSA-N 2 1 310.376 3.024 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2[nH]nc3ccccc32)CC1 ZINC001137348800 1105494046 /nfs/dbraw/zinc/49/40/46/1105494046.db2.gz PMHHLOSBTJDJIS-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2n[nH]c3ccccc32)CC1 ZINC001137348800 1105494050 /nfs/dbraw/zinc/49/40/50/1105494050.db2.gz PMHHLOSBTJDJIS-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2n[nH]c3ccccc32)CC1 ZINC001137348800 1105494054 /nfs/dbraw/zinc/49/40/54/1105494054.db2.gz PMHHLOSBTJDJIS-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001251974451 1105717167 /nfs/dbraw/zinc/71/71/67/1105717167.db2.gz GPCZUSOVCXTZJO-IOMROCGXSA-N 2 1 324.468 3.015 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001252094383 1105737506 /nfs/dbraw/zinc/73/75/06/1105737506.db2.gz ORDCVXBKJYQVNF-HXUWFJFHSA-N 2 1 316.489 3.060 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252094383 1105737509 /nfs/dbraw/zinc/73/75/09/1105737509.db2.gz ORDCVXBKJYQVNF-HXUWFJFHSA-N 2 1 316.489 3.060 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001252106820 1105741018 /nfs/dbraw/zinc/74/10/18/1105741018.db2.gz CAWNZKSFNRNDIS-IYWMVGAKSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC(C)(C)O)C[C@H]21 ZINC001252351556 1105769462 /nfs/dbraw/zinc/76/94/62/1105769462.db2.gz HLORGMFQCNIQPB-USXIJHARSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC(C)(C)O)C[C@H]21 ZINC001252351556 1105769466 /nfs/dbraw/zinc/76/94/66/1105769466.db2.gz HLORGMFQCNIQPB-USXIJHARSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC(C)(C)O)C[C@H]21 ZINC001252351556 1105769470 /nfs/dbraw/zinc/76/94/70/1105769470.db2.gz HLORGMFQCNIQPB-USXIJHARSA-N 2 1 322.518 3.051 20 0 DGADMP CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001491358384 1105813326 /nfs/dbraw/zinc/81/33/26/1105813326.db2.gz SOMRKXUELKLKHG-ABHNRTSZSA-N 2 1 323.525 3.068 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC001256175102 1105826777 /nfs/dbraw/zinc/82/67/77/1105826777.db2.gz PCFJSMUSANCSIH-LBPRGKRZSA-N 2 1 322.250 3.175 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC001256175101 1105827003 /nfs/dbraw/zinc/82/70/03/1105827003.db2.gz PCFJSMUSANCSIH-GFCCVEGCSA-N 2 1 322.250 3.175 20 0 DGADMP CCC[C@@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001252784316 1105830049 /nfs/dbraw/zinc/83/00/49/1105830049.db2.gz WPTWFZLOPVXNOC-TTYHFUOFSA-N 2 1 316.489 3.258 20 0 DGADMP CCC[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001252784316 1105830055 /nfs/dbraw/zinc/83/00/55/1105830055.db2.gz WPTWFZLOPVXNOC-TTYHFUOFSA-N 2 1 316.489 3.258 20 0 DGADMP CCC[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001252784316 1105830058 /nfs/dbraw/zinc/83/00/58/1105830058.db2.gz WPTWFZLOPVXNOC-TTYHFUOFSA-N 2 1 316.489 3.258 20 0 DGADMP CCCC[N@H+](CCC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929559 1105857170 /nfs/dbraw/zinc/85/71/70/1105857170.db2.gz UDFPTHJQPOLDHW-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CCCC[N@@H+](CCC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929559 1105857177 /nfs/dbraw/zinc/85/71/77/1105857177.db2.gz UDFPTHJQPOLDHW-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CCCC[NH+](CCC)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252929559 1105857183 /nfs/dbraw/zinc/85/71/83/1105857183.db2.gz UDFPTHJQPOLDHW-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CCCC[NH+](CCC)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929559 1105857189 /nfs/dbraw/zinc/85/71/89/1105857189.db2.gz UDFPTHJQPOLDHW-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC001253408029 1105936253 /nfs/dbraw/zinc/93/62/53/1105936253.db2.gz SNAKYDFYJSSUDK-DLBZAZTESA-N 2 1 310.457 3.252 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253549051 1105956824 /nfs/dbraw/zinc/95/68/24/1105956824.db2.gz LJSMNTTUJWIECR-RBUKOAKNSA-N 2 1 304.478 3.039 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@@H]21 ZINC001254384280 1106062890 /nfs/dbraw/zinc/06/28/90/1106062890.db2.gz MARGFFMYGIXVEO-TTYHFUOFSA-N 2 1 314.473 3.276 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254381873 1106062949 /nfs/dbraw/zinc/06/29/49/1106062949.db2.gz YHNYMIKKPGIHLA-WMZOPIPTSA-N 2 1 318.461 3.135 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC001254497610 1106082277 /nfs/dbraw/zinc/08/22/77/1106082277.db2.gz LRFVBIYVPPEEOY-CYBMUJFWSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC001254497610 1106082283 /nfs/dbraw/zinc/08/22/83/1106082283.db2.gz LRFVBIYVPPEEOY-CYBMUJFWSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@H](NCc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001254498100 1106082482 /nfs/dbraw/zinc/08/24/82/1106082482.db2.gz RPUKRMFPWGZKGG-ZDUSSCGKSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001254498100 1106082487 /nfs/dbraw/zinc/08/24/87/1106082487.db2.gz RPUKRMFPWGZKGG-ZDUSSCGKSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001254498100 1106082490 /nfs/dbraw/zinc/08/24/90/1106082490.db2.gz RPUKRMFPWGZKGG-ZDUSSCGKSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)CC1 ZINC001254506620 1106085506 /nfs/dbraw/zinc/08/55/06/1106085506.db2.gz VPSRSTMFXDLOTN-IRXDYDNUSA-N 2 1 314.473 3.115 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001254504399 1106085811 /nfs/dbraw/zinc/08/58/11/1106085811.db2.gz ALODZBQXXKKSJD-CQSZACIVSA-N 2 1 316.367 3.202 20 0 DGADMP C[N@H+]1CCC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254508666 1106086230 /nfs/dbraw/zinc/08/62/30/1106086230.db2.gz KWZAUUFFGBODSW-SFHVURJKSA-N 2 1 307.526 3.105 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254508666 1106086236 /nfs/dbraw/zinc/08/62/36/1106086236.db2.gz KWZAUUFFGBODSW-SFHVURJKSA-N 3 1 307.526 3.105 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254508666 1106086243 /nfs/dbraw/zinc/08/62/43/1106086243.db2.gz KWZAUUFFGBODSW-SFHVURJKSA-N 3 1 307.526 3.105 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC001254509052 1106086557 /nfs/dbraw/zinc/08/65/57/1106086557.db2.gz UULHBKVMQBCOAK-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510963 1106086714 /nfs/dbraw/zinc/08/67/14/1106086714.db2.gz SJHGTAXYWVZKKN-UFYCRDLUSA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510963 1106086719 /nfs/dbraw/zinc/08/67/19/1106086719.db2.gz SJHGTAXYWVZKKN-UFYCRDLUSA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510963 1106086722 /nfs/dbraw/zinc/08/67/22/1106086722.db2.gz SJHGTAXYWVZKKN-UFYCRDLUSA-N 3 1 315.505 3.243 20 0 DGADMP CN1CCC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510963 1106086728 /nfs/dbraw/zinc/08/67/28/1106086728.db2.gz SJHGTAXYWVZKKN-UFYCRDLUSA-N 2 1 315.505 3.243 20 0 DGADMP CN1CCC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510963 1106086735 /nfs/dbraw/zinc/08/67/35/1106086735.db2.gz SJHGTAXYWVZKKN-UFYCRDLUSA-N 2 1 315.505 3.243 20 0 DGADMP COc1ccc(CC2([NH2+][C@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254511782 1106087028 /nfs/dbraw/zinc/08/70/28/1106087028.db2.gz FLNIPFDURVLASK-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC001254509054 1106087158 /nfs/dbraw/zinc/08/71/58/1106087158.db2.gz UULHBKVMQBCOAK-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254509814 1106087708 /nfs/dbraw/zinc/08/77/08/1106087708.db2.gz JCQNKNBYFIUWKK-QGZVFWFLSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1cccc(OC2CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254525831 1106092417 /nfs/dbraw/zinc/09/24/17/1106092417.db2.gz NEWMPZZHIJCXAC-KRWDZBQOSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001254524039 1106093043 /nfs/dbraw/zinc/09/30/43/1106093043.db2.gz WXHNHCFOKDMANC-QGZVFWFLSA-N 2 1 306.494 3.142 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001254524039 1106093048 /nfs/dbraw/zinc/09/30/48/1106093048.db2.gz WXHNHCFOKDMANC-QGZVFWFLSA-N 2 1 306.494 3.142 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254530452 1106094358 /nfs/dbraw/zinc/09/43/58/1106094358.db2.gz YMICWRQXWZDCOP-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254530452 1106094361 /nfs/dbraw/zinc/09/43/61/1106094361.db2.gz YMICWRQXWZDCOP-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)cc1 ZINC001254530452 1106094366 /nfs/dbraw/zinc/09/43/66/1106094366.db2.gz YMICWRQXWZDCOP-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001254530251 1106094743 /nfs/dbraw/zinc/09/47/43/1106094743.db2.gz VTIIONBOSVHRBL-SFHVURJKSA-N 2 1 314.473 3.152 20 0 DGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531896 1106096541 /nfs/dbraw/zinc/09/65/41/1106096541.db2.gz MRAQUULSHHCQBP-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531896 1106096544 /nfs/dbraw/zinc/09/65/44/1106096544.db2.gz MRAQUULSHHCQBP-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531896 1106096550 /nfs/dbraw/zinc/09/65/50/1106096550.db2.gz MRAQUULSHHCQBP-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254865075 1106150939 /nfs/dbraw/zinc/15/09/39/1106150939.db2.gz WQMUNDLSGVDYOQ-APWZRJJASA-N 2 1 324.472 3.391 20 0 DGADMP CC(C)(C)C[N@@H+](C1C[C@@H]2CC(=O)C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254938580 1106157846 /nfs/dbraw/zinc/15/78/46/1106157846.db2.gz HPDNFLFGNOUJQN-KLHDSHLOSA-N 2 1 306.494 3.362 20 0 DGADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC001255013483 1106165247 /nfs/dbraw/zinc/16/52/47/1106165247.db2.gz GDPBCKSQUQLTMO-UHFFFAOYSA-N 2 1 307.441 3.116 20 0 DGADMP C[C@H]([NH3+])c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122404 1106184220 /nfs/dbraw/zinc/18/42/20/1106184220.db2.gz PQVMBJVQNSICIN-DZJNRPSUSA-N 2 1 310.445 3.271 20 0 DGADMP Cc1cnc(C[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255127966 1106185067 /nfs/dbraw/zinc/18/50/67/1106185067.db2.gz GYIFRDAKROEPKL-PIIMJCKOSA-N 2 1 310.445 3.018 20 0 DGADMP C[C@H]1COCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137399 1106187436 /nfs/dbraw/zinc/18/74/36/1106187436.db2.gz QNXVUOYFQYXQBK-RSPOEFSDSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137399 1106187437 /nfs/dbraw/zinc/18/74/37/1106187437.db2.gz QNXVUOYFQYXQBK-RSPOEFSDSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137399 1106187438 /nfs/dbraw/zinc/18/74/38/1106187438.db2.gz QNXVUOYFQYXQBK-RSPOEFSDSA-N 2 1 314.473 3.150 20 0 DGADMP CC1(O)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135768 1106187702 /nfs/dbraw/zinc/18/77/02/1106187702.db2.gz FLWMMCAAXKVHBS-REPLKXPHSA-N 2 1 314.473 3.029 20 0 DGADMP COC[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136352 1106188051 /nfs/dbraw/zinc/18/80/51/1106188051.db2.gz JZMHOOFMHGUGBG-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136352 1106188056 /nfs/dbraw/zinc/18/80/56/1106188056.db2.gz JZMHOOFMHGUGBG-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136352 1106188062 /nfs/dbraw/zinc/18/80/62/1106188062.db2.gz JZMHOOFMHGUGBG-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136352 1106188066 /nfs/dbraw/zinc/18/80/66/1106188066.db2.gz JZMHOOFMHGUGBG-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP OC[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135730 1106188471 /nfs/dbraw/zinc/18/84/71/1106188471.db2.gz FHQUCVPAIMIXMM-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135730 1106188472 /nfs/dbraw/zinc/18/84/72/1106188472.db2.gz FHQUCVPAIMIXMM-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135730 1106188473 /nfs/dbraw/zinc/18/84/73/1106188473.db2.gz FHQUCVPAIMIXMM-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135730 1106188474 /nfs/dbraw/zinc/18/84/74/1106188474.db2.gz FHQUCVPAIMIXMM-WCIQWLHISA-N 2 1 314.473 3.029 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCSCC2)C3)cc1 ZINC001255143185 1106189414 /nfs/dbraw/zinc/18/94/14/1106189414.db2.gz WBGBSNJXTSFYJM-BCDXTJNWSA-N 2 1 302.487 3.231 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCSCC2)C3)cc1 ZINC001255143185 1106189416 /nfs/dbraw/zinc/18/94/16/1106189416.db2.gz WBGBSNJXTSFYJM-BCDXTJNWSA-N 2 1 302.487 3.231 20 0 DGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@H]1CCSC1 ZINC001255273686 1106213454 /nfs/dbraw/zinc/21/34/54/1106213454.db2.gz CVQZFACEFXXWRQ-CABPVBNCSA-N 2 1 322.477 3.068 20 0 DGADMP COc1cccc(C[N@@H+]([C@H]2CCSC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255279711 1106215048 /nfs/dbraw/zinc/21/50/48/1106215048.db2.gz RKJROTLAIOWPFS-ULQDDVLXSA-N 2 1 320.502 3.273 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255291975 1106216452 /nfs/dbraw/zinc/21/64/52/1106216452.db2.gz CAOYDJVVTFSQSV-KRWDZBQOSA-N 2 1 308.466 3.227 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255291975 1106216456 /nfs/dbraw/zinc/21/64/56/1106216456.db2.gz CAOYDJVVTFSQSV-KRWDZBQOSA-N 2 1 308.466 3.227 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001255295758 1106217787 /nfs/dbraw/zinc/21/77/87/1106217787.db2.gz PVGSVJCKTMENAM-QRVBRYPASA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001255295758 1106217791 /nfs/dbraw/zinc/21/77/91/1106217791.db2.gz PVGSVJCKTMENAM-QRVBRYPASA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001255295758 1106217796 /nfs/dbraw/zinc/21/77/96/1106217796.db2.gz PVGSVJCKTMENAM-QRVBRYPASA-N 2 1 316.514 3.336 20 0 DGADMP CCCC[C@H](C)[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001255326614 1106223285 /nfs/dbraw/zinc/22/32/85/1106223285.db2.gz SKPFPPKBNODCMH-INIZCTEOSA-N 2 1 324.509 3.305 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@@H]3CCCCO3)CC2)cc1 ZINC001255384574 1106237984 /nfs/dbraw/zinc/23/79/84/1106237984.db2.gz ZGAZEUQPCPAWEJ-OALUTQOASA-N 2 1 302.462 3.200 20 0 DGADMP CC(C)([NH3+])C(C)(C)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389248 1106238991 /nfs/dbraw/zinc/23/89/91/1106238991.db2.gz DFKZSGRYDUVAHC-KRWDZBQOSA-N 2 1 303.494 3.147 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389660 1106239841 /nfs/dbraw/zinc/23/98/41/1106239841.db2.gz PCDMIQBMYJXVIP-RTBURBONSA-N 2 1 304.478 3.038 20 0 DGADMP [NH3+]Cc1ncccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389434 1106239871 /nfs/dbraw/zinc/23/98/71/1106239871.db2.gz MVYKPWGITOTFGX-KRWDZBQOSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOC1 ZINC001255394070 1106240544 /nfs/dbraw/zinc/24/05/44/1106240544.db2.gz VZNDBHHNEDFIGE-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC001255397018 1106241856 /nfs/dbraw/zinc/24/18/56/1106241856.db2.gz CUUHFOFDPIOZRU-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC001255397018 1106241857 /nfs/dbraw/zinc/24/18/57/1106241857.db2.gz CUUHFOFDPIOZRU-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP CCC[NH+]1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255402847 1106244140 /nfs/dbraw/zinc/24/41/40/1106244140.db2.gz BEUXMNKEUVIMBF-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP COC1CCC([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255462828 1106254517 /nfs/dbraw/zinc/25/45/17/1106254517.db2.gz CVTGXJFBHOXMIO-XEVCZEQESA-N 2 1 316.489 3.398 20 0 DGADMP COC1CCC([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255462828 1106254519 /nfs/dbraw/zinc/25/45/19/1106254519.db2.gz CVTGXJFBHOXMIO-XEVCZEQESA-N 2 1 316.489 3.398 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)C2CCC(C(F)(F)F)CC2)CC1 ZINC001255511361 1106261482 /nfs/dbraw/zinc/26/14/82/1106261482.db2.gz YMCBAKGJVMHNQX-VKNLNRKYSA-N 2 1 320.399 3.078 20 0 DGADMP CC[NH+](CC)CC[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001255941681 1106345619 /nfs/dbraw/zinc/34/56/19/1106345619.db2.gz WUNODQNWLJUSDD-SFHVURJKSA-N 2 1 317.521 3.492 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001255946789 1106346447 /nfs/dbraw/zinc/34/64/47/1106346447.db2.gz IOLHBFACXYDIDO-KRWDZBQOSA-N 3 1 318.509 3.069 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccccc1)C1(O)CCC1 ZINC001255950430 1106347147 /nfs/dbraw/zinc/34/71/47/1106347147.db2.gz HFUHFJAPUAVMFB-FUHWJXTLSA-N 2 1 304.478 3.353 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccccc1)C1(O)CCC1 ZINC001255950433 1106347587 /nfs/dbraw/zinc/34/75/87/1106347587.db2.gz HFUHFJAPUAVMFB-WMZOPIPTSA-N 2 1 304.478 3.353 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001255951520 1106348052 /nfs/dbraw/zinc/34/80/52/1106348052.db2.gz QAWRQWPVYXFKNK-QGZVFWFLSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccc(OC)cn1)C1CC1 ZINC001255954011 1106348876 /nfs/dbraw/zinc/34/88/76/1106348876.db2.gz QVNJQNVJPYQJEZ-KSSFIOAISA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001255955993 1106350187 /nfs/dbraw/zinc/35/01/87/1106350187.db2.gz YVWLDVOEECRYLL-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001255955993 1106350189 /nfs/dbraw/zinc/35/01/89/1106350189.db2.gz YVWLDVOEECRYLL-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001255962914 1106350954 /nfs/dbraw/zinc/35/09/54/1106350954.db2.gz CGJMNTGMFBNMDJ-OALUTQOASA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001255965323 1106351387 /nfs/dbraw/zinc/35/13/87/1106351387.db2.gz ZQPIOACEPDZODP-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001255965323 1106351388 /nfs/dbraw/zinc/35/13/88/1106351388.db2.gz ZQPIOACEPDZODP-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001255968663 1106352092 /nfs/dbraw/zinc/35/20/92/1106352092.db2.gz FDOROGJIXPWFDN-GBESFXJTSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001255970764 1106352110 /nfs/dbraw/zinc/35/21/10/1106352110.db2.gz FRHQNMFMCOXJGV-WMZOPIPTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001255970764 1106352113 /nfs/dbraw/zinc/35/21/13/1106352113.db2.gz FRHQNMFMCOXJGV-WMZOPIPTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001255968694 1106352141 /nfs/dbraw/zinc/35/21/41/1106352141.db2.gz FSUISWCYUKENKY-QAPCUYQASA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001255968694 1106352146 /nfs/dbraw/zinc/35/21/46/1106352146.db2.gz FSUISWCYUKENKY-QAPCUYQASA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001255968518 1106352170 /nfs/dbraw/zinc/35/21/70/1106352170.db2.gz AGSFQJBAHIVMKN-KRWDZBQOSA-N 2 1 321.484 3.458 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001255972494 1106353076 /nfs/dbraw/zinc/35/30/76/1106353076.db2.gz SHKHAMHDCKSUSV-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001255972494 1106353080 /nfs/dbraw/zinc/35/30/80/1106353080.db2.gz SHKHAMHDCKSUSV-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001255973048 1106353317 /nfs/dbraw/zinc/35/33/17/1106353317.db2.gz XINHLPBBOBJNLB-SJLPKXTDSA-N 2 1 302.462 3.312 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001255973048 1106353319 /nfs/dbraw/zinc/35/33/19/1106353319.db2.gz XINHLPBBOBJNLB-SJLPKXTDSA-N 2 1 302.462 3.312 20 0 DGADMP Cc1cc(C)cc(OC[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256066744 1106363294 /nfs/dbraw/zinc/36/32/94/1106363294.db2.gz PBNAIWIDVOLURY-INIZCTEOSA-N 2 1 302.462 3.287 20 0 DGADMP COc1ccccc1CC1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC001256072101 1106364371 /nfs/dbraw/zinc/36/43/71/1106364371.db2.gz IGUPFNNBDKLAMX-UHFFFAOYSA-N 2 1 314.473 3.377 20 0 DGADMP CCC(CC)[N@H+](C1CCN(C2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256072620 1106365025 /nfs/dbraw/zinc/36/50/25/1106365025.db2.gz SHFUMNSTRDWLNX-RZDIXWSQSA-N 2 1 307.526 3.374 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080866 1106366749 /nfs/dbraw/zinc/36/67/49/1106366749.db2.gz FQDRAODCDDFAQB-MRXNPFEDSA-N 2 1 300.446 3.111 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080866 1106366753 /nfs/dbraw/zinc/36/67/53/1106366753.db2.gz FQDRAODCDDFAQB-MRXNPFEDSA-N 2 1 300.446 3.111 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(c3cccc(Br)c3)CC2)CC1 ZINC001256200357 1106389593 /nfs/dbraw/zinc/38/95/93/1106389593.db2.gz SFPHIHILRDGWEJ-UHFFFAOYSA-N 2 1 323.278 3.165 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](CC2CCOCC2)c2ccccc2)CC1 ZINC001256201425 1106389654 /nfs/dbraw/zinc/38/96/54/1106389654.db2.gz JOFKLEPBUDUMPZ-LJQANCHMSA-N 2 1 302.462 3.228 20 0 DGADMP C[NH+]1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCOCC2)CC1 ZINC001256199414 1106389718 /nfs/dbraw/zinc/38/97/18/1106389718.db2.gz PPDKZSMFELHJRA-UHFFFAOYSA-N 2 1 322.880 3.116 20 0 DGADMP COc1ccccc1CC1(C[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC001256199264 1106389932 /nfs/dbraw/zinc/38/99/32/1106389932.db2.gz LERWKJFBXBMEEM-UHFFFAOYSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256300040 1106401823 /nfs/dbraw/zinc/40/18/23/1106401823.db2.gz LJZLMKCZMMEKPK-UHFFFAOYSA-N 2 1 318.852 3.104 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001256352809 1106408365 /nfs/dbraw/zinc/40/83/65/1106408365.db2.gz LKGSSYKOVLQBGI-QGZVFWFLSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)CC[C@@H](C)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001256367698 1106410965 /nfs/dbraw/zinc/41/09/65/1106410965.db2.gz IEBWSHNSGYDBCU-MRXNPFEDSA-N 2 1 321.513 3.149 20 0 DGADMP CC(C)CC[C@@H](C)N1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001256367698 1106410968 /nfs/dbraw/zinc/41/09/68/1106410968.db2.gz IEBWSHNSGYDBCU-MRXNPFEDSA-N 2 1 321.513 3.149 20 0 DGADMP CCOC1CCC([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001256432259 1106421570 /nfs/dbraw/zinc/42/15/70/1106421570.db2.gz WMSJIRAIRZZZKY-IVMQYODDSA-N 2 1 304.478 3.431 20 0 DGADMP CCOC1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001256432981 1106421637 /nfs/dbraw/zinc/42/16/37/1106421637.db2.gz BKRGLWXHYNBBPM-UHFFFAOYSA-N 2 1 320.452 3.423 20 0 DGADMP CC(C)N(CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522963 1106432777 /nfs/dbraw/zinc/43/27/77/1106432777.db2.gz LAOLGBMGLCMZQY-IEBWSBKVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522963 1106432780 /nfs/dbraw/zinc/43/27/80/1106432780.db2.gz LAOLGBMGLCMZQY-IEBWSBKVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522963 1106432783 /nfs/dbraw/zinc/43/27/83/1106432783.db2.gz LAOLGBMGLCMZQY-IEBWSBKVSA-N 2 1 303.494 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519896 1106433338 /nfs/dbraw/zinc/43/33/38/1106433338.db2.gz GMRAOOVOAJWOLP-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256519896 1106433341 /nfs/dbraw/zinc/43/33/41/1106433341.db2.gz GMRAOOVOAJWOLP-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529276 1106433888 /nfs/dbraw/zinc/43/38/88/1106433888.db2.gz RPXYQNJNCCOMAC-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529276 1106433890 /nfs/dbraw/zinc/43/38/90/1106433890.db2.gz RPXYQNJNCCOMAC-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256529069 1106434468 /nfs/dbraw/zinc/43/44/68/1106434468.db2.gz PWRIOVJTXIQSSL-WMZOPIPTSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256529069 1106434470 /nfs/dbraw/zinc/43/44/70/1106434470.db2.gz PWRIOVJTXIQSSL-WMZOPIPTSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525378 1106434607 /nfs/dbraw/zinc/43/46/07/1106434607.db2.gz YNTOPVRWWKNRBP-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525378 1106434609 /nfs/dbraw/zinc/43/46/09/1106434609.db2.gz YNTOPVRWWKNRBP-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP COC(CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001256527899 1106434689 /nfs/dbraw/zinc/43/46/89/1106434689.db2.gz BBDWDMASTUMGOD-SJLPKXTDSA-N 2 1 320.477 3.028 20 0 DGADMP COC(CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001256527899 1106434691 /nfs/dbraw/zinc/43/46/91/1106434691.db2.gz BBDWDMASTUMGOD-SJLPKXTDSA-N 2 1 320.477 3.028 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256534377 1106435216 /nfs/dbraw/zinc/43/52/16/1106435216.db2.gz QNLZUWGFNPORHC-DOTOQJQBSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256534377 1106435218 /nfs/dbraw/zinc/43/52/18/1106435218.db2.gz QNLZUWGFNPORHC-DOTOQJQBSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256532283 1106435439 /nfs/dbraw/zinc/43/54/39/1106435439.db2.gz XCAYBMDVACWRSN-NZSAHSFTSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001256532283 1106435441 /nfs/dbraw/zinc/43/54/41/1106435441.db2.gz XCAYBMDVACWRSN-NZSAHSFTSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256532282 1106435564 /nfs/dbraw/zinc/43/55/64/1106435564.db2.gz XCAYBMDVACWRSN-NEWSRXKRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001256532282 1106435565 /nfs/dbraw/zinc/43/55/65/1106435565.db2.gz XCAYBMDVACWRSN-NEWSRXKRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537301 1106436395 /nfs/dbraw/zinc/43/63/95/1106436395.db2.gz NUCDRHZRTOIHRK-ZULIPRJHSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537301 1106436397 /nfs/dbraw/zinc/43/63/97/1106436397.db2.gz NUCDRHZRTOIHRK-ZULIPRJHSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1CO ZINC001256536308 1106436886 /nfs/dbraw/zinc/43/68/86/1106436886.db2.gz CXZBUOVAZKVRMZ-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1CO ZINC001256536308 1106436889 /nfs/dbraw/zinc/43/68/89/1106436889.db2.gz CXZBUOVAZKVRMZ-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1CO ZINC001256536308 1106436891 /nfs/dbraw/zinc/43/68/91/1106436891.db2.gz CXZBUOVAZKVRMZ-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1CO ZINC001256536308 1106436894 /nfs/dbraw/zinc/43/68/94/1106436894.db2.gz CXZBUOVAZKVRMZ-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540500 1106438197 /nfs/dbraw/zinc/43/81/97/1106438197.db2.gz IQJIUOXQROEOMI-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540500 1106438200 /nfs/dbraw/zinc/43/82/00/1106438200.db2.gz IQJIUOXQROEOMI-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540500 1106438203 /nfs/dbraw/zinc/43/82/03/1106438203.db2.gz IQJIUOXQROEOMI-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540500 1106438205 /nfs/dbraw/zinc/43/82/05/1106438205.db2.gz IQJIUOXQROEOMI-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540708 1106438299 /nfs/dbraw/zinc/43/82/99/1106438299.db2.gz JOHJJZVXGLTSQR-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540708 1106438302 /nfs/dbraw/zinc/43/83/02/1106438302.db2.gz JOHJJZVXGLTSQR-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540708 1106438304 /nfs/dbraw/zinc/43/83/04/1106438304.db2.gz JOHJJZVXGLTSQR-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540708 1106438306 /nfs/dbraw/zinc/43/83/06/1106438306.db2.gz JOHJJZVXGLTSQR-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552831 1106440813 /nfs/dbraw/zinc/44/08/13/1106440813.db2.gz DZINTWQACFYLHO-HKUYNNGSSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552831 1106440815 /nfs/dbraw/zinc/44/08/15/1106440815.db2.gz DZINTWQACFYLHO-HKUYNNGSSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@H]1C[C@@H](N2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555352 1106443238 /nfs/dbraw/zinc/44/32/38/1106443238.db2.gz UGJHJGAKKWXBHR-HKUYNNGSSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](N2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555352 1106443241 /nfs/dbraw/zinc/44/32/41/1106443241.db2.gz UGJHJGAKKWXBHR-HKUYNNGSSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](N2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555352 1106443244 /nfs/dbraw/zinc/44/32/44/1106443244.db2.gz UGJHJGAKKWXBHR-HKUYNNGSSA-N 2 1 315.505 3.066 20 0 DGADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001256558978 1106445137 /nfs/dbraw/zinc/44/51/37/1106445137.db2.gz XFGIHEGKYGTFRO-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001256558978 1106445141 /nfs/dbraw/zinc/44/51/41/1106445141.db2.gz XFGIHEGKYGTFRO-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001256558978 1106445146 /nfs/dbraw/zinc/44/51/46/1106445146.db2.gz XFGIHEGKYGTFRO-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256565436 1106446627 /nfs/dbraw/zinc/44/66/27/1106446627.db2.gz HAZWPKGGJDOGGE-UHFFFAOYSA-N 2 1 318.461 3.216 20 0 DGADMP CCc1noc([C@H]2CCC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256575844 1106448401 /nfs/dbraw/zinc/44/84/01/1106448401.db2.gz WLIGZNWVBYWHNM-AWEZNQCLSA-N 2 1 320.481 3.074 20 0 DGADMP CCc1noc([C@H]2CCC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256575844 1106448403 /nfs/dbraw/zinc/44/84/03/1106448403.db2.gz WLIGZNWVBYWHNM-AWEZNQCLSA-N 2 1 320.481 3.074 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256572975 1106448754 /nfs/dbraw/zinc/44/87/54/1106448754.db2.gz JCEZHFLGKRONMI-APWZRJJASA-N 2 1 308.510 3.388 20 0 DGADMP OCCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600817 1106451703 /nfs/dbraw/zinc/45/17/03/1106451703.db2.gz GTBBVQZBALQNKT-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP Cc1ccnc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256599016 1106451964 /nfs/dbraw/zinc/45/19/64/1106451964.db2.gz FINTXGMNCKSCPN-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C3(Cc4cccnc4)CC3)CC2)cc1 ZINC001256600894 1106452159 /nfs/dbraw/zinc/45/21/59/1106452159.db2.gz AIMXMSXRKMEYIQ-UHFFFAOYSA-N 2 1 321.468 3.411 20 0 DGADMP C[C@]1(CO)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604810 1106453050 /nfs/dbraw/zinc/45/30/50/1106453050.db2.gz WIGNLLFWXCRONS-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(CO)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604810 1106453052 /nfs/dbraw/zinc/45/30/52/1106453052.db2.gz WIGNLLFWXCRONS-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP COc1cccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001256630853 1106457110 /nfs/dbraw/zinc/45/71/10/1106457110.db2.gz LONMBTXFKPGFMZ-DFNIBXOVSA-N 2 1 314.473 3.500 20 0 DGADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256632325 1106458006 /nfs/dbraw/zinc/45/80/06/1106458006.db2.gz HLEWSTCAGPZIRU-KRWDZBQOSA-N 2 1 304.478 3.264 20 0 DGADMP C[C@@H]1c2ccccc2CC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256688791 1106469956 /nfs/dbraw/zinc/46/99/56/1106469956.db2.gz KPDRYOWSNSABRK-IPJUCJBFSA-N 2 1 314.473 3.249 20 0 DGADMP c1ccc([C@@H]2CC[N@@H+]2C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256699212 1106470932 /nfs/dbraw/zinc/47/09/32/1106470932.db2.gz VSJAGDZTTZBBEZ-ACBHZAAOSA-N 2 1 300.446 3.077 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001256746317 1106478640 /nfs/dbraw/zinc/47/86/40/1106478640.db2.gz VCFQPAIPWTVGDZ-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256746317 1106478642 /nfs/dbraw/zinc/47/86/42/1106478642.db2.gz VCFQPAIPWTVGDZ-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001256746317 1106478644 /nfs/dbraw/zinc/47/86/44/1106478644.db2.gz VCFQPAIPWTVGDZ-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP c1ccc([C@H]2CCC[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)nc1 ZINC001256860782 1106498835 /nfs/dbraw/zinc/49/88/35/1106498835.db2.gz IIQZRENKJRDQQP-KRWDZBQOSA-N 2 1 322.456 3.325 20 0 DGADMP Fc1ccc2c(c1)CC[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256863382 1106499323 /nfs/dbraw/zinc/49/93/23/1106499323.db2.gz YINMNPXEWNTHQO-UHFFFAOYSA-N 2 1 311.404 3.248 20 0 DGADMP c1cc(N2CCC([N@@H+](C3CCC3)C3CCOCC3)CC2)cc[nH+]1 ZINC001256865554 1106499349 /nfs/dbraw/zinc/49/93/49/1106499349.db2.gz JWYPDRDRZOPFKB-UHFFFAOYSA-N 2 1 315.461 3.084 20 0 DGADMP CC1CC[NH+](CCCN[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256899096 1106504738 /nfs/dbraw/zinc/50/47/38/1106504738.db2.gz RGXGLHHJLXFEPS-GOSISDBHSA-N 2 1 307.526 3.105 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899185 1106504767 /nfs/dbraw/zinc/50/47/67/1106504767.db2.gz RVSLTWBLJNZTEX-UYAOXDASSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899185 1106504769 /nfs/dbraw/zinc/50/47/69/1106504769.db2.gz RVSLTWBLJNZTEX-UYAOXDASSA-N 2 1 315.505 3.286 20 0 DGADMP CCOC(=O)CCCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900113 1106506161 /nfs/dbraw/zinc/50/61/61/1106506161.db2.gz IWBVTAAVRCKTLU-QGZVFWFLSA-N 2 1 324.509 3.497 20 0 DGADMP CCOC(=O)CCCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900113 1106506163 /nfs/dbraw/zinc/50/61/63/1106506163.db2.gz IWBVTAAVRCKTLU-QGZVFWFLSA-N 2 1 324.509 3.497 20 0 DGADMP C1CCC([NH+]2CCC(N[C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001256904096 1106507298 /nfs/dbraw/zinc/50/72/98/1106507298.db2.gz HJOLKTRITICBQD-GOSISDBHSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907788 1106509645 /nfs/dbraw/zinc/50/96/45/1106509645.db2.gz ILWVRSSGEZWYQB-DOTOQJQBSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907788 1106509650 /nfs/dbraw/zinc/50/96/50/1106509650.db2.gz ILWVRSSGEZWYQB-DOTOQJQBSA-N 2 1 302.462 3.320 20 0 DGADMP CC(C)[C@H]1[NH2+]CCc2ncn([C@@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256923322 1106513019 /nfs/dbraw/zinc/51/30/19/1106513019.db2.gz QOTKLKPKHDCRKL-SJLPKXTDSA-N 2 1 316.493 3.305 20 0 DGADMP C[C@@H]1CC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001257080026 1106534626 /nfs/dbraw/zinc/53/46/26/1106534626.db2.gz JPAZYUUQJDXQSA-JOCBIADPSA-N 2 1 317.477 3.110 20 0 DGADMP CC(C)[NH+]1CCC(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001257213784 1106552283 /nfs/dbraw/zinc/55/22/83/1106552283.db2.gz UZIWLOFOOULNLT-HXUWFJFHSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccccc1C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC001257211413 1106552748 /nfs/dbraw/zinc/55/27/48/1106552748.db2.gz JWQFRURWZOMEAR-FQEVSTJZSA-N 2 1 315.505 3.032 20 0 DGADMP CCC[C@@H](CC)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001257262315 1106558510 /nfs/dbraw/zinc/55/85/10/1106558510.db2.gz YXDBTAJKMFNWBT-GUDVDZBRSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@@H](CC)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001257262315 1106558514 /nfs/dbraw/zinc/55/85/14/1106558514.db2.gz YXDBTAJKMFNWBT-GUDVDZBRSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001257310282 1106564801 /nfs/dbraw/zinc/56/48/01/1106564801.db2.gz TWUFMJQNGQLBNZ-BHIYHBOVSA-N 2 1 307.526 3.103 20 0 DGADMP CCCCCC[C@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001257373673 1106576261 /nfs/dbraw/zinc/57/62/61/1106576261.db2.gz UPSBRFNOQGBZRB-SFHVURJKSA-N 2 1 309.542 3.305 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001257382152 1106578429 /nfs/dbraw/zinc/57/84/29/1106578429.db2.gz ZMUCDNDMEZMRRN-DLBZAZTESA-N 2 1 324.509 3.495 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001257382152 1106578432 /nfs/dbraw/zinc/57/84/32/1106578432.db2.gz ZMUCDNDMEZMRRN-DLBZAZTESA-N 2 1 324.509 3.495 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001257391363 1106580462 /nfs/dbraw/zinc/58/04/62/1106580462.db2.gz MUMOAXNHFKPVOC-ULQDDVLXSA-N 2 1 312.498 3.207 20 0 DGADMP CC[C@H](C)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446213 1106590907 /nfs/dbraw/zinc/59/09/07/1106590907.db2.gz YYIODBWZYBFODW-RDJZCZTQSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@H](C)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446213 1106590909 /nfs/dbraw/zinc/59/09/09/1106590909.db2.gz YYIODBWZYBFODW-RDJZCZTQSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001257446213 1106590912 /nfs/dbraw/zinc/59/09/12/1106590912.db2.gz YYIODBWZYBFODW-RDJZCZTQSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001257446213 1106590913 /nfs/dbraw/zinc/59/09/13/1106590913.db2.gz YYIODBWZYBFODW-RDJZCZTQSA-N 2 1 323.431 3.413 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675138 1106618726 /nfs/dbraw/zinc/61/87/26/1106618726.db2.gz XXTVPZXJULVNQH-OTWHNJEPSA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675138 1106618728 /nfs/dbraw/zinc/61/87/28/1106618728.db2.gz XXTVPZXJULVNQH-OTWHNJEPSA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675138 1106618730 /nfs/dbraw/zinc/61/87/30/1106618730.db2.gz XXTVPZXJULVNQH-OTWHNJEPSA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675138 1106618731 /nfs/dbraw/zinc/61/87/31/1106618731.db2.gz XXTVPZXJULVNQH-OTWHNJEPSA-N 2 1 316.514 3.254 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257684928 1106621518 /nfs/dbraw/zinc/62/15/18/1106621518.db2.gz YWCWBCQGNZOAAQ-FHWLQOOXSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257684928 1106621519 /nfs/dbraw/zinc/62/15/19/1106621519.db2.gz YWCWBCQGNZOAAQ-FHWLQOOXSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257684928 1106621520 /nfs/dbraw/zinc/62/15/20/1106621520.db2.gz YWCWBCQGNZOAAQ-FHWLQOOXSA-N 2 1 316.514 3.336 20 0 DGADMP [NH3+]C1(c2ccccc2F)CC[NH+](C2CCC3(COC3)CC2)CC1 ZINC001257902199 1106644487 /nfs/dbraw/zinc/64/44/87/1106644487.db2.gz DXKPHBFOQQPWPV-UHFFFAOYSA-N 2 1 318.436 3.035 20 0 DGADMP C(C1CC1)[N@@H+]1CCCC12CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257905623 1106645197 /nfs/dbraw/zinc/64/51/97/1106645197.db2.gz OCPHNSQRBCGBAG-UHFFFAOYSA-N 2 1 318.505 3.286 20 0 DGADMP C(C1CC1)[N@H+]1CCCC12CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257905623 1106645199 /nfs/dbraw/zinc/64/51/99/1106645199.db2.gz OCPHNSQRBCGBAG-UHFFFAOYSA-N 2 1 318.505 3.286 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC001258004607 1106656836 /nfs/dbraw/zinc/65/68/36/1106656836.db2.gz HLPLBQAPCASRBW-HNNXBMFYSA-N 2 1 318.461 3.244 20 0 DGADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001258008619 1106657251 /nfs/dbraw/zinc/65/72/51/1106657251.db2.gz ZXKXRRQDSZASFE-GOSISDBHSA-N 2 1 307.526 3.103 20 0 DGADMP COc1cccc(C2([NH2+]C3CC[NH+](CC(C)C)CC3)CC2)c1 ZINC001258008482 1106657448 /nfs/dbraw/zinc/65/74/48/1106657448.db2.gz WAMDJAPDNHWWRG-UHFFFAOYSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001258015165 1106658431 /nfs/dbraw/zinc/65/84/31/1106658431.db2.gz YUKPSIZNKLUQPX-IBGZPJMESA-N 2 1 302.462 3.260 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](CC(C)C)CC1 ZINC001258019132 1106659159 /nfs/dbraw/zinc/65/91/59/1106659159.db2.gz ZWBWUDLKNOWBHI-UHFFFAOYSA-N 2 1 318.461 3.358 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001258022362 1106660091 /nfs/dbraw/zinc/66/00/91/1106660091.db2.gz HBHGESRAYBCCGH-GWDNYDDXSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001258022362 1106660095 /nfs/dbraw/zinc/66/00/95/1106660095.db2.gz HBHGESRAYBCCGH-GWDNYDDXSA-N 2 1 322.493 3.103 20 0 DGADMP FC[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC001258142828 1106679771 /nfs/dbraw/zinc/67/97/71/1106679771.db2.gz BVSGPMUQYOZTTO-SFHVURJKSA-N 2 1 304.453 3.375 20 0 DGADMP FC[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142828 1106679775 /nfs/dbraw/zinc/67/97/75/1106679775.db2.gz BVSGPMUQYOZTTO-SFHVURJKSA-N 2 1 304.453 3.375 20 0 DGADMP FC[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142828 1106679776 /nfs/dbraw/zinc/67/97/76/1106679776.db2.gz BVSGPMUQYOZTTO-SFHVURJKSA-N 2 1 304.453 3.375 20 0 DGADMP CC[N@H+](C1CCOCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146414 1106681109 /nfs/dbraw/zinc/68/11/09/1106681109.db2.gz WWUQIGLRVZKASW-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP CC[N@@H+](C1CCOCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146414 1106681112 /nfs/dbraw/zinc/68/11/12/1106681112.db2.gz WWUQIGLRVZKASW-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)C2C[C@@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001258170384 1106686224 /nfs/dbraw/zinc/68/62/24/1106686224.db2.gz KCHOPSLJYNIPMD-KBPBESRZSA-N 2 1 316.493 3.477 20 0 DGADMP CSCC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258212571 1106698167 /nfs/dbraw/zinc/69/81/67/1106698167.db2.gz UCFHQOIILMTTOR-ZOBUZTSGSA-N 2 1 307.507 3.295 20 0 DGADMP CSC(C)(C)C[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258326439 1106716953 /nfs/dbraw/zinc/71/69/53/1106716953.db2.gz FQFMUQCYYFILKM-CQSZACIVSA-N 2 1 307.507 3.252 20 0 DGADMP CSC(C)(C)C[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258333582 1106718171 /nfs/dbraw/zinc/71/81/71/1106718171.db2.gz NSRAKWXGZBFSER-AWEZNQCLSA-N 3 1 317.587 3.382 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001258389278 1106727197 /nfs/dbraw/zinc/72/71/97/1106727197.db2.gz LBXLRQLGYFXBIV-NRSFXHEJSA-N 2 1 302.462 3.231 20 0 DGADMP CCCCC[C@H](CC)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001258439050 1106744089 /nfs/dbraw/zinc/74/40/89/1106744089.db2.gz GNNGXYAUTPJEFU-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[C@H](CC)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001258439050 1106744101 /nfs/dbraw/zinc/74/41/01/1106744101.db2.gz GNNGXYAUTPJEFU-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001320025882 1106793279 /nfs/dbraw/zinc/79/32/79/1106793279.db2.gz IZYZJGZKLKMVPG-GBESFXJTSA-N 2 1 318.505 3.405 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518781 1106794744 /nfs/dbraw/zinc/79/47/44/1106794744.db2.gz BFSRPCNGQMTIKV-IRXDYDNUSA-N 2 1 324.509 3.161 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258602979 1106842068 /nfs/dbraw/zinc/84/20/68/1106842068.db2.gz FEMIWWSCMWMOPF-WSTZPKSXSA-N 2 1 320.521 3.245 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258602979 1106842079 /nfs/dbraw/zinc/84/20/79/1106842079.db2.gz FEMIWWSCMWMOPF-WSTZPKSXSA-N 2 1 320.521 3.245 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258602979 1106842089 /nfs/dbraw/zinc/84/20/89/1106842089.db2.gz FEMIWWSCMWMOPF-WSTZPKSXSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258610538 1106850937 /nfs/dbraw/zinc/85/09/37/1106850937.db2.gz PRODTKVHXAWGNB-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258682720 1106903889 /nfs/dbraw/zinc/90/38/89/1106903889.db2.gz AMNRITNDEDCGGU-BNOWGMLFSA-N 2 1 313.272 3.418 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258682720 1106903899 /nfs/dbraw/zinc/90/38/99/1106903899.db2.gz AMNRITNDEDCGGU-BNOWGMLFSA-N 2 1 313.272 3.418 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258682720 1106903909 /nfs/dbraw/zinc/90/39/09/1106903909.db2.gz AMNRITNDEDCGGU-BNOWGMLFSA-N 2 1 313.272 3.418 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258682720 1106903920 /nfs/dbraw/zinc/90/39/20/1106903920.db2.gz AMNRITNDEDCGGU-BNOWGMLFSA-N 2 1 313.272 3.418 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258698280 1106915247 /nfs/dbraw/zinc/91/52/47/1106915247.db2.gz PBTSDPZQSTZZIP-CVEARBPZSA-N 2 1 312.498 3.018 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1F ZINC001320310464 1106956421 /nfs/dbraw/zinc/95/64/21/1106956421.db2.gz LFNMYZMXHHCZGD-WBAXXEDZSA-N 2 1 322.468 3.475 20 0 DGADMP CCC[NH+]1CCC([N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC001258775701 1106966525 /nfs/dbraw/zinc/96/65/25/1106966525.db2.gz AKVFTIIPWXQEOY-UHFFFAOYSA-N 2 1 304.478 3.134 20 0 DGADMP CCCc1noc([C@H]2CCC[N@@H+](C3CC[NH+](CCC)CC3)C2)n1 ZINC001258775797 1106967255 /nfs/dbraw/zinc/96/72/55/1106967255.db2.gz FESVWCDPCHHWCA-HNNXBMFYSA-N 2 1 320.481 3.076 20 0 DGADMP CCCc1noc([C@H]2CCC[N@H+](C3CC[NH+](CCC)CC3)C2)n1 ZINC001258775797 1106967268 /nfs/dbraw/zinc/96/72/68/1106967268.db2.gz FESVWCDPCHHWCA-HNNXBMFYSA-N 2 1 320.481 3.076 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001258773729 1106968820 /nfs/dbraw/zinc/96/88/20/1106968820.db2.gz ACCBBBNEZJRQHR-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001258777618 1106970830 /nfs/dbraw/zinc/97/08/30/1106970830.db2.gz AJTMQUKHZWKXOF-UHFFFAOYSA-N 2 1 319.468 3.212 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC001258830515 1107013981 /nfs/dbraw/zinc/01/39/81/1107013981.db2.gz PYOJCEVAAHFYFI-GUYCJALGSA-N 2 1 302.466 3.231 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001320508928 1107033016 /nfs/dbraw/zinc/03/30/16/1107033016.db2.gz DMOLUHLQNBCGKI-CQSZACIVSA-N 2 1 316.367 3.011 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001258907677 1107055647 /nfs/dbraw/zinc/05/56/47/1107055647.db2.gz MJCHXVAUECBKQW-ICSRJNTNSA-N 2 1 317.521 3.486 20 0 DGADMP COC(=O)c1cccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC001321088073 1107245118 /nfs/dbraw/zinc/24/51/18/1107245118.db2.gz BQRKEHSAIQBOHC-UHFFFAOYSA-N 2 1 306.450 3.072 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)C1 ZINC001261138659 1107350795 /nfs/dbraw/zinc/35/07/95/1107350795.db2.gz UNJVTFFVRSTAGX-CZUORRHYSA-N 2 1 306.425 3.143 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC001321859368 1107451406 /nfs/dbraw/zinc/45/14/06/1107451406.db2.gz XOHYIKMQSLWJIH-BRSBDYLESA-N 2 1 316.493 3.304 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(C(C)(C)C)n[nH]1 ZINC001262195293 1107647928 /nfs/dbraw/zinc/64/79/28/1107647928.db2.gz WKSNEGJQWVLKCZ-GOOCMWNKSA-N 2 1 304.482 3.060 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC001262558143 1107723938 /nfs/dbraw/zinc/72/39/38/1107723938.db2.gz WLLWIDXBPPPHQH-SFHVURJKSA-N 2 1 313.445 3.212 20 0 DGADMP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001323670226 1108048683 /nfs/dbraw/zinc/04/86/83/1108048683.db2.gz PNTIOEIWNWOPQD-AYHJJNSGSA-N 2 1 323.525 3.019 20 0 DGADMP CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319207392 1108367225 /nfs/dbraw/zinc/36/72/25/1108367225.db2.gz LGKJZZMAODDNAD-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC000386124744 1108436030 /nfs/dbraw/zinc/43/60/30/1108436030.db2.gz NAZISZCOPGRIOH-CQSZACIVSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC000386124744 1108436035 /nfs/dbraw/zinc/43/60/35/1108436035.db2.gz NAZISZCOPGRIOH-CQSZACIVSA-N 2 1 311.267 3.318 20 0 DGADMP Fc1cccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC001325279710 1108611821 /nfs/dbraw/zinc/61/18/21/1108611821.db2.gz YQPZUPOBKQLEOV-HKUYNNGSSA-N 2 1 317.452 3.011 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3N3CCCC3)CC[C@@H]21 ZINC001319726162 1108612500 /nfs/dbraw/zinc/61/25/00/1108612500.db2.gz DHYFPSVXRVXGKO-MJGOQNOKSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)CC[C@@H]21 ZINC001319726162 1108612506 /nfs/dbraw/zinc/61/25/06/1108612506.db2.gz DHYFPSVXRVXGKO-MJGOQNOKSA-N 2 1 313.489 3.203 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319762073 1108625775 /nfs/dbraw/zinc/62/57/75/1108625775.db2.gz BIUYCTWZBBPAGI-XYPHTWIQSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319762071 1108625803 /nfs/dbraw/zinc/62/58/03/1108625803.db2.gz BIUYCTWZBBPAGI-KBRIMQKVSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319762070 1108626106 /nfs/dbraw/zinc/62/61/06/1108626106.db2.gz BIUYCTWZBBPAGI-COXVUDFISA-N 2 1 321.440 3.005 20 0 DGADMP CC[N@H+](CC=C(C)C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001265114780 1108737456 /nfs/dbraw/zinc/73/74/56/1108737456.db2.gz OEFVLXVELXYUEO-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001265648152 1108948019 /nfs/dbraw/zinc/94/80/19/1108948019.db2.gz YPBLSDVZBWVYHR-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001265648152 1108948025 /nfs/dbraw/zinc/94/80/25/1108948025.db2.gz YPBLSDVZBWVYHR-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001265648152 1108948030 /nfs/dbraw/zinc/94/80/30/1108948030.db2.gz YPBLSDVZBWVYHR-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP O[C@]1(C[NH2+]CCC2=CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000702555032 1109070920 /nfs/dbraw/zinc/07/09/20/1109070920.db2.gz YCKILLLMBCBEGX-FQEVSTJZSA-N 2 1 314.473 3.104 20 0 DGADMP O[C@]1(C[NH2+]CCC2=CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702555032 1109070926 /nfs/dbraw/zinc/07/09/26/1109070926.db2.gz YCKILLLMBCBEGX-FQEVSTJZSA-N 2 1 314.473 3.104 20 0 DGADMP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282678233 1109550496 /nfs/dbraw/zinc/55/04/96/1109550496.db2.gz PTVLSSSQJOYIFH-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](C)O ZINC001619905188 1193763695 /nfs/dbraw/zinc/76/36/95/1193763695.db2.gz PWVOYWWZFQSHTL-OAHLLOKOSA-N 2 1 312.885 3.255 20 0 DGADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](C)O ZINC001619905188 1193763699 /nfs/dbraw/zinc/76/36/99/1193763699.db2.gz PWVOYWWZFQSHTL-OAHLLOKOSA-N 2 1 312.885 3.255 20 0 DGADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001307456780 1111301291 /nfs/dbraw/zinc/30/12/91/1111301291.db2.gz XEUDJUGVLVVULP-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CCC1 ZINC001307479158 1111304642 /nfs/dbraw/zinc/30/46/42/1111304642.db2.gz UEWJREATKLUJLR-ZIFCJYIRSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CCC1 ZINC001307479158 1111304645 /nfs/dbraw/zinc/30/46/45/1111304645.db2.gz UEWJREATKLUJLR-ZIFCJYIRSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CCC1 ZINC001307479158 1111304650 /nfs/dbraw/zinc/30/46/50/1111304650.db2.gz UEWJREATKLUJLR-ZIFCJYIRSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC001307498726 1111306245 /nfs/dbraw/zinc/30/62/45/1111306245.db2.gz IHIYCSSSCLHTHV-PKOBYXMFSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC23CCOCC3)C1 ZINC001307515872 1111309580 /nfs/dbraw/zinc/30/95/80/1111309580.db2.gz YYJMIFKGMHWGKY-ZWKOTPCHSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001307515872 1111309583 /nfs/dbraw/zinc/30/95/83/1111309583.db2.gz YYJMIFKGMHWGKY-ZWKOTPCHSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001307515872 1111309585 /nfs/dbraw/zinc/30/95/85/1111309585.db2.gz YYJMIFKGMHWGKY-ZWKOTPCHSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001307705574 1111330242 /nfs/dbraw/zinc/33/02/42/1111330242.db2.gz IDWQHTCRTHRWLE-NEWSRXKRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001307705574 1111330247 /nfs/dbraw/zinc/33/02/47/1111330247.db2.gz IDWQHTCRTHRWLE-NEWSRXKRSA-N 2 1 318.505 3.284 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011001 1111365427 /nfs/dbraw/zinc/36/54/27/1111365427.db2.gz IGIXJKCDEZVUOU-FUHWJXTLSA-N 2 1 302.462 3.390 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011001 1111365431 /nfs/dbraw/zinc/36/54/31/1111365431.db2.gz IGIXJKCDEZVUOU-FUHWJXTLSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011001 1111365435 /nfs/dbraw/zinc/36/54/35/1111365435.db2.gz IGIXJKCDEZVUOU-FUHWJXTLSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011001 1111365438 /nfs/dbraw/zinc/36/54/38/1111365438.db2.gz IGIXJKCDEZVUOU-FUHWJXTLSA-N 2 1 302.462 3.390 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C/C=C\c2ccccc2)cn1 ZINC001308210870 1111398550 /nfs/dbraw/zinc/39/85/50/1111398550.db2.gz SFDWQRYKUOSZFM-YVMONPNESA-N 2 1 304.397 3.379 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001308254547 1111405617 /nfs/dbraw/zinc/40/56/17/1111405617.db2.gz UAMBTFIZIAWOBO-MJGOQNOKSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257858 1111406296 /nfs/dbraw/zinc/40/62/96/1111406296.db2.gz VZUKMCLAIFRAMB-SJLPKXTDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257858 1111406299 /nfs/dbraw/zinc/40/62/99/1111406299.db2.gz VZUKMCLAIFRAMB-SJLPKXTDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@H+](C)C1CC1 ZINC001308257858 1111406301 /nfs/dbraw/zinc/40/63/01/1111406301.db2.gz VZUKMCLAIFRAMB-SJLPKXTDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC001308257858 1111406302 /nfs/dbraw/zinc/40/63/02/1111406302.db2.gz VZUKMCLAIFRAMB-SJLPKXTDSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC001308261174 1111407059 /nfs/dbraw/zinc/40/70/59/1111407059.db2.gz ORSVEVYXLAQNEJ-IBGZPJMESA-N 2 1 302.462 3.036 20 0 DGADMP CCC1(CC)CCC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001308383177 1111423655 /nfs/dbraw/zinc/42/36/55/1111423655.db2.gz HTINEIMTIYGAGI-UHFFFAOYSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1 ZINC001308454267 1111430849 /nfs/dbraw/zinc/43/08/49/1111430849.db2.gz YRKBJQGGJWVZKM-IBGZPJMESA-N 2 1 300.446 3.022 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH]n1 ZINC001308548480 1111441506 /nfs/dbraw/zinc/44/15/06/1111441506.db2.gz VVGHFSXKPIPXPX-CEXWTWQISA-N 2 1 324.472 3.108 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001308598978 1111449432 /nfs/dbraw/zinc/44/94/32/1111449432.db2.gz OGRSYKGDUXYAJR-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccc(OC)cc2)C1 ZINC001308598978 1111449434 /nfs/dbraw/zinc/44/94/34/1111449434.db2.gz OGRSYKGDUXYAJR-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001308598978 1111449436 /nfs/dbraw/zinc/44/94/36/1111449436.db2.gz OGRSYKGDUXYAJR-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccc(OC)cc2)C1 ZINC001308598978 1111449437 /nfs/dbraw/zinc/44/94/37/1111449437.db2.gz OGRSYKGDUXYAJR-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP COC(=O)c1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC001308601852 1111449853 /nfs/dbraw/zinc/44/98/53/1111449853.db2.gz XNWYVTXIAZIXPE-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC001308601852 1111449855 /nfs/dbraw/zinc/44/98/55/1111449855.db2.gz XNWYVTXIAZIXPE-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC001308601852 1111449856 /nfs/dbraw/zinc/44/98/56/1111449856.db2.gz XNWYVTXIAZIXPE-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC001308601852 1111449858 /nfs/dbraw/zinc/44/98/58/1111449858.db2.gz XNWYVTXIAZIXPE-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC001308601852 1111449860 /nfs/dbraw/zinc/44/98/60/1111449860.db2.gz XNWYVTXIAZIXPE-QGZVFWFLSA-N 2 1 318.461 3.088 20 0 DGADMP C[C@H](CC1CCCCC1)C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001308900766 1111490403 /nfs/dbraw/zinc/49/04/03/1111490403.db2.gz MVNUNTXRXPFPJQ-MISYRCLQSA-N 3 1 323.569 3.264 20 0 DGADMP CC(C)C1CCC(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001308900083 1111490865 /nfs/dbraw/zinc/49/08/65/1111490865.db2.gz GMCNPFNCJAVWTC-NTFDOXNWSA-N 2 1 323.569 3.120 20 0 DGADMP CC1(C)CC[N@H+](Cc2c[nH]nc2-c2ccsc2)CC(C)(C)[NH2+]1 ZINC001308983580 1111504403 /nfs/dbraw/zinc/50/44/03/1111504403.db2.gz FUFXXYVLIXIGLW-UHFFFAOYSA-N 2 1 318.490 3.491 20 0 DGADMP CC1(C)CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC(C)(C)[NH2+]1 ZINC001308983580 1111504407 /nfs/dbraw/zinc/50/44/07/1111504407.db2.gz FUFXXYVLIXIGLW-UHFFFAOYSA-N 2 1 318.490 3.491 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C1 ZINC001308984974 1111505202 /nfs/dbraw/zinc/50/52/02/1111505202.db2.gz UDUIQOUZDHLLFN-ZSXDVEMLSA-N 2 1 313.489 3.346 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001308984315 1111505256 /nfs/dbraw/zinc/50/52/56/1111505256.db2.gz MRNQHPPTJUVPSK-UHFFFAOYSA-N 2 1 312.461 3.291 20 0 DGADMP Cc1nc2ccccc2nc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001308984315 1111505258 /nfs/dbraw/zinc/50/52/58/1111505258.db2.gz MRNQHPPTJUVPSK-UHFFFAOYSA-N 2 1 312.461 3.291 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)cc1 ZINC000278350542 214107409 /nfs/dbraw/zinc/10/74/09/214107409.db2.gz AUTKMVDHTVZANA-VQIMIIECSA-N 2 1 320.477 3.237 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278369195 214123071 /nfs/dbraw/zinc/12/30/71/214123071.db2.gz BYSYWFRYXNZQFJ-MTEHYEEQSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H](CC[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000278459089 214167577 /nfs/dbraw/zinc/16/75/77/214167577.db2.gz ZOKUEFRKSMWDAP-ZWKOTPCHSA-N 2 1 304.478 3.271 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000181281279 199274799 /nfs/dbraw/zinc/27/47/99/199274799.db2.gz FZDMVIGQIMZILN-JSGCOSHPSA-N 2 1 316.367 3.200 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000078912991 185127275 /nfs/dbraw/zinc/12/72/75/185127275.db2.gz CBURIJXTFNHGPF-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP CCC1(CC)[C@H]([N@@H+](C)CCCCn2ccnc2C)C[C@@H]1OC ZINC000129286277 432003789 /nfs/dbraw/zinc/00/37/89/432003789.db2.gz YEISNSLTVZUZNW-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C[C@@H]1OC ZINC000129286277 432003792 /nfs/dbraw/zinc/00/37/92/432003792.db2.gz YEISNSLTVZUZNW-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C[C@@H]1OC ZINC000129286277 432003794 /nfs/dbraw/zinc/00/37/94/432003794.db2.gz YEISNSLTVZUZNW-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278696264 214334727 /nfs/dbraw/zinc/33/47/27/214334727.db2.gz KRDDLKADEBMDMN-OWZKRDHZSA-N 3 1 315.505 3.113 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278696264 214334729 /nfs/dbraw/zinc/33/47/29/214334729.db2.gz KRDDLKADEBMDMN-OWZKRDHZSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063152 529426650 /nfs/dbraw/zinc/42/66/50/529426650.db2.gz GWRDLKBOLGOHBQ-SJORKVTESA-N 2 1 320.477 3.132 20 0 DGADMP CCc1cc(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000302049209 529557857 /nfs/dbraw/zinc/55/78/57/529557857.db2.gz MUFAGYKSCKXMOO-MRXNPFEDSA-N 2 1 314.433 3.498 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000314373426 529584943 /nfs/dbraw/zinc/58/49/43/529584943.db2.gz RYDCVJFYYPDHJJ-INIZCTEOSA-N 2 1 306.450 3.229 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272837558 210235222 /nfs/dbraw/zinc/23/52/22/210235222.db2.gz QSKIJRFQRGGLRT-JENIJYKNSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000292992048 529671423 /nfs/dbraw/zinc/67/14/23/529671423.db2.gz MJDHCIBSROUBQB-NJAFHUGGSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000292992048 529671425 /nfs/dbraw/zinc/67/14/25/529671425.db2.gz MJDHCIBSROUBQB-NJAFHUGGSA-N 2 1 304.478 3.179 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCCO1 ZINC000092821081 185343895 /nfs/dbraw/zinc/34/38/95/185343895.db2.gz FTGWLHKTNICREH-LJQANCHMSA-N 2 1 317.477 3.189 20 0 DGADMP CSCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821494 185344088 /nfs/dbraw/zinc/34/40/88/185344088.db2.gz APSGWCPOBYLEAY-UHFFFAOYSA-N 2 1 307.507 3.373 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000095419149 185359837 /nfs/dbraw/zinc/35/98/37/185359837.db2.gz LIRJJQSGDOZSMO-HNNXBMFYSA-N 2 1 306.413 3.469 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000292725690 529811266 /nfs/dbraw/zinc/81/12/66/529811266.db2.gz FTXGZTVTJREEFX-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000292725690 529811267 /nfs/dbraw/zinc/81/12/67/529811267.db2.gz FTXGZTVTJREEFX-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000292725690 529811268 /nfs/dbraw/zinc/81/12/68/529811268.db2.gz FTXGZTVTJREEFX-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP COCCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272769841 210174428 /nfs/dbraw/zinc/17/44/28/210174428.db2.gz MOTFJZNSCYOEFI-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000434181290 529974717 /nfs/dbraw/zinc/97/47/17/529974717.db2.gz GZRPDXBVBNCXIS-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000434181290 529974718 /nfs/dbraw/zinc/97/47/18/529974718.db2.gz GZRPDXBVBNCXIS-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000434181290 529974719 /nfs/dbraw/zinc/97/47/19/529974719.db2.gz GZRPDXBVBNCXIS-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000434181290 529974720 /nfs/dbraw/zinc/97/47/20/529974720.db2.gz GZRPDXBVBNCXIS-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435435180 529990120 /nfs/dbraw/zinc/99/01/20/529990120.db2.gz APEVPNNHFWVBIA-CQSZACIVSA-N 2 1 316.367 3.202 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435376310 529993173 /nfs/dbraw/zinc/99/31/73/529993173.db2.gz QOHUHJRAQBDCSJ-KRWDZBQOSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC000430968284 530005308 /nfs/dbraw/zinc/00/53/08/530005308.db2.gz XNGCHLMVABJMFR-MRXNPFEDSA-N 2 1 304.478 3.294 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305624985 530056973 /nfs/dbraw/zinc/05/69/73/530056973.db2.gz JUAJQWZPAXUBKI-QYZOEREBSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305624985 530056974 /nfs/dbraw/zinc/05/69/74/530056974.db2.gz JUAJQWZPAXUBKI-QYZOEREBSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305624985 530056975 /nfs/dbraw/zinc/05/69/75/530056975.db2.gz JUAJQWZPAXUBKI-QYZOEREBSA-N 2 1 320.452 3.198 20 0 DGADMP C[N@H+](Cc1cc(F)cc2cccnc21)CC1CC[NH+](C)CC1 ZINC000104083830 432014170 /nfs/dbraw/zinc/01/41/70/432014170.db2.gz KBBICGCHODNAET-UHFFFAOYSA-N 2 1 301.409 3.148 20 0 DGADMP CC[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)c2cccnc12 ZINC000130095237 432014764 /nfs/dbraw/zinc/01/47/64/432014764.db2.gz VBHJQIZEDWSVBT-AWEZNQCLSA-N 2 1 303.837 3.462 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272660076 210064599 /nfs/dbraw/zinc/06/45/99/210064599.db2.gz HPBXYXUICOYTHE-VBSBHUPXSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000286959207 219245767 /nfs/dbraw/zinc/24/57/67/219245767.db2.gz BYFRNMXZEJLYPW-WFASDCNBSA-N 2 1 312.404 3.195 20 0 DGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649402 545673219 /nfs/dbraw/zinc/67/32/19/545673219.db2.gz GXYHHIRKLOXUPT-WBMJQRKESA-N 2 1 306.450 3.437 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)N(C)C)cc1 ZINC000152614430 186089810 /nfs/dbraw/zinc/08/98/10/186089810.db2.gz VRSURHNGGOYUNE-AWEZNQCLSA-N 2 1 300.450 3.172 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925368 186143110 /nfs/dbraw/zinc/14/31/10/186143110.db2.gz OMWVKRQBXKCTKY-XLIONFOSSA-N 3 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000163925368 186143112 /nfs/dbraw/zinc/14/31/12/186143112.db2.gz OMWVKRQBXKCTKY-XLIONFOSSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000163925368 186143114 /nfs/dbraw/zinc/14/31/14/186143114.db2.gz OMWVKRQBXKCTKY-XLIONFOSSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925368 186143116 /nfs/dbraw/zinc/14/31/16/186143116.db2.gz OMWVKRQBXKCTKY-XLIONFOSSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000237478201 186296010 /nfs/dbraw/zinc/29/60/10/186296010.db2.gz QXOAXOAAFVMFAO-OAHLLOKOSA-N 2 1 315.461 3.129 20 0 DGADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756452 186380556 /nfs/dbraw/zinc/38/05/56/186380556.db2.gz XSEPQYLUYBNFTO-PKOBYXMFSA-N 2 1 317.521 3.217 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000268762240 186383393 /nfs/dbraw/zinc/38/33/93/186383393.db2.gz HTUVZFREUKKPQK-JCGIZDLHSA-N 2 1 318.461 3.119 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000268762240 186383394 /nfs/dbraw/zinc/38/33/94/186383394.db2.gz HTUVZFREUKKPQK-JCGIZDLHSA-N 2 1 318.461 3.119 20 0 DGADMP Cc1cccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH+]1 ZINC000277154094 213331583 /nfs/dbraw/zinc/33/15/83/213331583.db2.gz LDHHGOPMYZLLNA-GOSISDBHSA-N 2 1 311.429 3.093 20 0 DGADMP Cc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[nH+]1 ZINC000277154094 213331586 /nfs/dbraw/zinc/33/15/86/213331586.db2.gz LDHHGOPMYZLLNA-GOSISDBHSA-N 2 1 311.429 3.093 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000173386323 198208750 /nfs/dbraw/zinc/20/87/50/198208750.db2.gz YTCWJBOGJJXMSL-UONOGXRCSA-N 2 1 317.433 3.196 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182061045 199381132 /nfs/dbraw/zinc/38/11/32/199381132.db2.gz LVKMMSNUXMWYBF-UONOGXRCSA-N 2 1 314.433 3.137 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000163654626 432039447 /nfs/dbraw/zinc/03/94/47/432039447.db2.gz BJZBZRBZYJKFKM-BXWFABGCSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131581121 432041654 /nfs/dbraw/zinc/04/16/54/432041654.db2.gz MCVATTFAOFAFRK-RYUDHWBXSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131581121 432041655 /nfs/dbraw/zinc/04/16/55/432041655.db2.gz MCVATTFAOFAFRK-RYUDHWBXSA-N 2 1 305.809 3.164 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000073381067 191311182 /nfs/dbraw/zinc/31/11/82/191311182.db2.gz BFHIQSWZKKXDRC-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236808097 202020481 /nfs/dbraw/zinc/02/04/81/202020481.db2.gz UMENCRKPDGECHI-UHFFFAOYSA-N 2 1 315.461 3.147 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000276990691 213223820 /nfs/dbraw/zinc/22/38/20/213223820.db2.gz ZXDXCGXWEGTYFW-IBGZPJMESA-N 2 1 304.478 3.164 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000164483156 432047036 /nfs/dbraw/zinc/04/70/36/432047036.db2.gz KYKGGNWRRZULQW-QRQCRPRQSA-N 2 1 322.518 3.339 20 0 DGADMP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414746455 283106239 /nfs/dbraw/zinc/10/62/39/283106239.db2.gz ZEXAQPQWNAVYCX-IRXDYDNUSA-N 2 1 317.477 3.034 20 0 DGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000132458903 432050119 /nfs/dbraw/zinc/05/01/19/432050119.db2.gz DMSWPHDKHHLSRK-SFHVURJKSA-N 2 1 312.457 3.496 20 0 DGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000132458903 432050122 /nfs/dbraw/zinc/05/01/22/432050122.db2.gz DMSWPHDKHHLSRK-SFHVURJKSA-N 2 1 312.457 3.496 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1Cl ZINC000177302891 198700653 /nfs/dbraw/zinc/70/06/53/198700653.db2.gz ZFKMWZCYALVDQC-HNNXBMFYSA-N 2 1 309.885 3.018 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC000165525978 432056085 /nfs/dbraw/zinc/05/60/85/432056085.db2.gz UEZGSQFWMDFEDK-YXJHDRRASA-N 2 1 308.441 3.303 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000166737547 432062299 /nfs/dbraw/zinc/06/22/99/432062299.db2.gz IMGDAVNNWCGIBW-NUEKZKHPSA-N 2 1 308.853 3.324 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000179637694 432065464 /nfs/dbraw/zinc/06/54/64/432065464.db2.gz CNIVRWNMXHVQPX-GJZGRUSLSA-N 2 1 306.450 3.147 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000167850807 432066109 /nfs/dbraw/zinc/06/61/09/432066109.db2.gz MMEPOWQNQFECRC-XYJFISCASA-N 2 1 303.494 3.188 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000276808332 213107275 /nfs/dbraw/zinc/10/72/75/213107275.db2.gz SKFIEWLHONRCCT-NSHDSACASA-N 2 1 313.323 3.441 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000179241619 199004276 /nfs/dbraw/zinc/00/42/76/199004276.db2.gz TXLOABYCNNYJPD-UHFFFAOYSA-N 2 1 309.360 3.315 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000179241619 199004278 /nfs/dbraw/zinc/00/42/78/199004278.db2.gz TXLOABYCNNYJPD-UHFFFAOYSA-N 2 1 309.360 3.315 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179782165 199079902 /nfs/dbraw/zinc/07/99/02/199079902.db2.gz PUFOWHQUXONRAA-KSSFIOAISA-N 2 1 315.461 3.170 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276615582 213001199 /nfs/dbraw/zinc/00/11/99/213001199.db2.gz HEHGFYBDNPCHSZ-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)CC[N@H+]1C ZINC000180804157 199211236 /nfs/dbraw/zinc/21/12/36/199211236.db2.gz HWWCCUUEJINWPI-RDJZCZTQSA-N 2 1 313.445 3.076 20 0 DGADMP COCC[N@H+](C)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000180104142 432077925 /nfs/dbraw/zinc/07/79/25/432077925.db2.gz ISFWWIHIZHAQHX-UHFFFAOYSA-N 2 1 312.457 3.334 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000180104142 432077927 /nfs/dbraw/zinc/07/79/27/432077927.db2.gz ISFWWIHIZHAQHX-UHFFFAOYSA-N 2 1 312.457 3.334 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415051610 237034134 /nfs/dbraw/zinc/03/41/34/237034134.db2.gz MFVBXAJUIVDHHF-DOTOQJQBSA-N 2 1 324.415 3.295 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000415057889 237042922 /nfs/dbraw/zinc/04/29/22/237042922.db2.gz VBYNVUAOCPARSU-AWEZNQCLSA-N 2 1 302.340 3.192 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000415062224 237047761 /nfs/dbraw/zinc/04/77/61/237047761.db2.gz DXAXFJNAKMIZKD-YJBOKZPZSA-N 2 1 317.477 3.128 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000415066329 237049850 /nfs/dbraw/zinc/04/98/50/237049850.db2.gz OKLRSFCVXQOQKN-AWEZNQCLSA-N 2 1 302.340 3.192 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415038549 237027896 /nfs/dbraw/zinc/02/78/96/237027896.db2.gz HYFZAKHHXWISGM-FUHWJXTLSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1ccccc1OCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415088289 237066230 /nfs/dbraw/zinc/06/62/30/237066230.db2.gz WGEGRSNFNDMEMR-RTBURBONSA-N 2 1 310.441 3.457 20 0 DGADMP Fc1ccccc1OC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415085348 237067351 /nfs/dbraw/zinc/06/73/51/237067351.db2.gz SIVLTRBRFZTIRY-GOSISDBHSA-N 2 1 314.404 3.287 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188729299 200296146 /nfs/dbraw/zinc/29/61/46/200296146.db2.gz QFLXXEBMVBLCMU-VNHYZAJKSA-N 2 1 312.404 3.149 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ncc(Br)s1 ZINC000423284924 237839125 /nfs/dbraw/zinc/83/91/25/237839125.db2.gz XNQKZGPCLGVVSR-LPEHRKFASA-N 2 1 318.284 3.074 20 0 DGADMP COc1cccc(CCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424283696 237889115 /nfs/dbraw/zinc/88/91/15/237889115.db2.gz BNLVAEBADTWFMS-MRXNPFEDSA-N 2 1 302.462 3.092 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000428037233 238007335 /nfs/dbraw/zinc/00/73/35/238007335.db2.gz JINPDSLQVVYQGB-QUCCMNQESA-N 2 1 310.441 3.293 20 0 DGADMP FC1(F)CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000429447847 238051818 /nfs/dbraw/zinc/05/18/18/238051818.db2.gz KJWBPLINRBSLKJ-DJIMGWMZSA-N 2 1 306.400 3.284 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000281256199 216190529 /nfs/dbraw/zinc/19/05/29/216190529.db2.gz OEVPPAMXBYVFBF-LBPRGKRZSA-N 2 1 300.368 3.320 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000430035038 238065046 /nfs/dbraw/zinc/06/50/46/238065046.db2.gz LIZSOQZRNSMWGH-HOTGVXAUSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000430035038 238065047 /nfs/dbraw/zinc/06/50/47/238065047.db2.gz LIZSOQZRNSMWGH-HOTGVXAUSA-N 2 1 324.896 3.362 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430620219 238081987 /nfs/dbraw/zinc/08/19/87/238081987.db2.gz BWWUVBREXGSXHM-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430620219 238081988 /nfs/dbraw/zinc/08/19/88/238081988.db2.gz BWWUVBREXGSXHM-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000430949868 238090615 /nfs/dbraw/zinc/09/06/15/238090615.db2.gz PDDHEVPENJSTPM-CRAIPNDOSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000430955330 238091024 /nfs/dbraw/zinc/09/10/24/238091024.db2.gz LYEMOKGJAHYZPR-MAUKXSAKSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ccccc3c2)CCCO1 ZINC000432364650 238126262 /nfs/dbraw/zinc/12/62/62/238126262.db2.gz KUDHPVPFODSOMK-QGZVFWFLSA-N 2 1 312.457 3.430 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432418027 238127901 /nfs/dbraw/zinc/12/79/01/238127901.db2.gz YBPPNYRKCGDXCE-ROUUACIJSA-N 2 1 304.478 3.455 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)CC[C@H]21 ZINC000246089453 432093544 /nfs/dbraw/zinc/09/35/44/432093544.db2.gz IMWRMJWZYGYHEO-DOTOQJQBSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CC[C@H]21 ZINC000246089453 432093549 /nfs/dbraw/zinc/09/35/49/432093549.db2.gz IMWRMJWZYGYHEO-DOTOQJQBSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CC[C@H]21 ZINC000246089453 432093551 /nfs/dbraw/zinc/09/35/51/432093551.db2.gz IMWRMJWZYGYHEO-DOTOQJQBSA-N 2 1 324.415 3.247 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000271879857 209290940 /nfs/dbraw/zinc/29/09/40/209290940.db2.gz PEHPZLZUFLJORR-AFIMGQEJSA-N 2 1 306.425 3.118 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCSCc1ccccc1 ZINC000193900926 201141497 /nfs/dbraw/zinc/14/14/97/201141497.db2.gz VGKXMPJEHGNDIA-HNNXBMFYSA-N 2 1 303.475 3.351 20 0 DGADMP CCOc1ccccc1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441364782 239042874 /nfs/dbraw/zinc/04/28/74/239042874.db2.gz NNKCIYFIIMCDCI-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441364782 239042877 /nfs/dbraw/zinc/04/28/77/239042877.db2.gz NNKCIYFIIMCDCI-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441364782 239042881 /nfs/dbraw/zinc/04/28/81/239042881.db2.gz NNKCIYFIIMCDCI-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441364782 239042884 /nfs/dbraw/zinc/04/28/84/239042884.db2.gz NNKCIYFIIMCDCI-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767872 239120490 /nfs/dbraw/zinc/12/04/90/239120490.db2.gz SEBNMJJCICPGDB-JWTNVVGKSA-N 2 1 302.462 3.287 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067513 239170828 /nfs/dbraw/zinc/17/08/28/239170828.db2.gz GVUDEIMOPNRLGI-ZIAGYGMSSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000443212815 239183983 /nfs/dbraw/zinc/18/39/83/239183983.db2.gz FKNJEENEMFUOKD-GNBUJSLZSA-N 2 1 315.505 3.203 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000443200139 239184353 /nfs/dbraw/zinc/18/43/53/239184353.db2.gz FVKAIRYCHQFIHN-GJJHYRHESA-N 2 1 315.505 3.059 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000443200139 239184356 /nfs/dbraw/zinc/18/43/56/239184356.db2.gz FVKAIRYCHQFIHN-GJJHYRHESA-N 2 1 315.505 3.059 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000271831554 209250648 /nfs/dbraw/zinc/25/06/48/209250648.db2.gz AHPMRBKBMPOMJH-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000271831557 209250729 /nfs/dbraw/zinc/25/07/29/209250729.db2.gz AHPMRBKBMPOMJH-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000271831557 209250731 /nfs/dbraw/zinc/25/07/31/209250731.db2.gz AHPMRBKBMPOMJH-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000271831554 209250647 /nfs/dbraw/zinc/25/06/47/209250647.db2.gz AHPMRBKBMPOMJH-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc21 ZINC000271813007 209236703 /nfs/dbraw/zinc/23/67/03/209236703.db2.gz JOZKNLIDMWRRSH-VQIMIIECSA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000271813007 209236705 /nfs/dbraw/zinc/23/67/05/209236705.db2.gz JOZKNLIDMWRRSH-VQIMIIECSA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000271813007 209236708 /nfs/dbraw/zinc/23/67/08/209236708.db2.gz JOZKNLIDMWRRSH-VQIMIIECSA-N 2 1 324.472 3.022 20 0 DGADMP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275455664 212344640 /nfs/dbraw/zinc/34/46/40/212344640.db2.gz GVJJNKVTJMEOSK-LSDHHAIUSA-N 2 1 315.486 3.388 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000449150810 240040359 /nfs/dbraw/zinc/04/03/59/240040359.db2.gz UCCILFITWYPIJR-DRMAHVMPSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccnn1C1CCCC1)[NH+]1CCCCC1 ZINC000449237670 240083086 /nfs/dbraw/zinc/08/30/86/240083086.db2.gz CKUVXNQPUGTUML-INIZCTEOSA-N 2 1 304.482 3.352 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000275397603 212309350 /nfs/dbraw/zinc/30/93/50/212309350.db2.gz BMKZHXXYNGYUCI-QGZVFWFLSA-N 2 1 302.462 3.361 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449383798 240168304 /nfs/dbraw/zinc/16/83/04/240168304.db2.gz KDLLRMSGMHORFR-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP COC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000449478994 240233725 /nfs/dbraw/zinc/23/37/25/240233725.db2.gz LEAIBGJWAMDGIK-RYQLBKOJSA-N 2 1 322.880 3.286 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000449618861 240323089 /nfs/dbraw/zinc/32/30/89/240323089.db2.gz MDIXOGVOROKCSH-PCODUJHASA-N 2 1 302.462 3.261 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc(CCc2ccccc2)s1)C[NH+](C)C ZINC000451171625 241030676 /nfs/dbraw/zinc/03/06/76/241030676.db2.gz JQSVXXQWWFTGOQ-HNNXBMFYSA-N 2 1 317.502 3.216 20 0 DGADMP C[N@H+](CCC[NH+]1CCCCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451329805 241083445 /nfs/dbraw/zinc/08/34/45/241083445.db2.gz KYHPRQWRHHUVAG-KRWDZBQOSA-N 2 1 310.869 3.181 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451329805 241083449 /nfs/dbraw/zinc/08/34/49/241083449.db2.gz KYHPRQWRHHUVAG-KRWDZBQOSA-N 2 1 310.869 3.181 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770218 284014197 /nfs/dbraw/zinc/01/41/97/284014197.db2.gz VHUAETQGGXIIJC-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770218 284014201 /nfs/dbraw/zinc/01/42/01/284014201.db2.gz VHUAETQGGXIIJC-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770218 284014205 /nfs/dbraw/zinc/01/42/05/284014205.db2.gz VHUAETQGGXIIJC-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000093770218 284014208 /nfs/dbraw/zinc/01/42/08/284014208.db2.gz VHUAETQGGXIIJC-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000093942341 284015233 /nfs/dbraw/zinc/01/52/33/284015233.db2.gz MAIQQZLFGWPACR-QRVBRYPASA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H](NCc1cnc(C2CC2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459239 243379384 /nfs/dbraw/zinc/37/93/84/243379384.db2.gz HYWYESUKRZGGGG-WMLDXEAASA-N 2 1 314.477 3.097 20 0 DGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459459239 243379389 /nfs/dbraw/zinc/37/93/89/243379389.db2.gz HYWYESUKRZGGGG-WMLDXEAASA-N 2 1 314.477 3.097 20 0 DGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459239 243379394 /nfs/dbraw/zinc/37/93/94/243379394.db2.gz HYWYESUKRZGGGG-WMLDXEAASA-N 2 1 314.477 3.097 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3CC3)cc2)CCCO1 ZINC000459512968 243396179 /nfs/dbraw/zinc/39/61/79/243396179.db2.gz RSSAXPYVFNWXQA-MRXNPFEDSA-N 2 1 302.462 3.155 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(OC(C)C)c1 ZINC000459426289 243365022 /nfs/dbraw/zinc/36/50/22/243365022.db2.gz DIUIAPMDBNCWBS-UHFFFAOYSA-N 2 1 302.462 3.499 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000459746107 243479013 /nfs/dbraw/zinc/47/90/13/243479013.db2.gz YZJJSPADLQTQJK-HNNXBMFYSA-N 2 1 312.404 3.152 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246311283 432118641 /nfs/dbraw/zinc/11/86/41/432118641.db2.gz DSJOEAYCSSEYEZ-GJYPPUQNSA-N 2 1 304.478 3.194 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000469983629 244136728 /nfs/dbraw/zinc/13/67/28/244136728.db2.gz QKTTVMQMQVNCCW-OAHLLOKOSA-N 2 1 312.379 3.494 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472452251 244305148 /nfs/dbraw/zinc/30/51/48/244305148.db2.gz CRYDYXJOSJAOKS-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472452251 244305154 /nfs/dbraw/zinc/30/51/54/244305154.db2.gz CRYDYXJOSJAOKS-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472452251 244305158 /nfs/dbraw/zinc/30/51/58/244305158.db2.gz CRYDYXJOSJAOKS-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CO2 ZINC000093563914 193268620 /nfs/dbraw/zinc/26/86/20/193268620.db2.gz SYQJNGBULIRUIQ-LJQANCHMSA-N 2 1 312.457 3.413 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CO2 ZINC000093563914 193268621 /nfs/dbraw/zinc/26/86/21/193268621.db2.gz SYQJNGBULIRUIQ-LJQANCHMSA-N 2 1 312.457 3.413 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CO2 ZINC000093683636 193288542 /nfs/dbraw/zinc/28/85/42/193288542.db2.gz YVIBNIXZFBVJDS-KRWDZBQOSA-N 2 1 312.457 3.270 20 0 DGADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CO2 ZINC000093683636 193288543 /nfs/dbraw/zinc/28/85/43/193288543.db2.gz YVIBNIXZFBVJDS-KRWDZBQOSA-N 2 1 312.457 3.270 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccs3)CC2)C[C@H](C)O1 ZINC000093844247 193317261 /nfs/dbraw/zinc/31/72/61/193317261.db2.gz IKDRSRKEWYDUTL-IYBDPMFKSA-N 2 1 322.518 3.459 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479938476 244688645 /nfs/dbraw/zinc/68/86/45/244688645.db2.gz GKCRZSTYMHSABZ-HDICACEKSA-N 2 1 308.425 3.013 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2Cl)[C@@H](C)C1 ZINC000246351813 432121286 /nfs/dbraw/zinc/12/12/86/432121286.db2.gz HTOLUSGUIZWVOO-LZWOXQAQSA-N 2 1 310.869 3.427 20 0 DGADMP C[C@H]1C[C@H](NCc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122295935 284216477 /nfs/dbraw/zinc/21/64/77/284216477.db2.gz AFTGCJGRTSNTBZ-FZMZJTMJSA-N 2 1 309.251 3.164 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000488362174 245180261 /nfs/dbraw/zinc/18/02/61/245180261.db2.gz CCHRSZNWVMIPGD-QUCCMNQESA-N 2 1 316.489 3.413 20 0 DGADMP CCCc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2[nH+]1 ZINC000489896516 245359407 /nfs/dbraw/zinc/35/94/07/245359407.db2.gz NYDGTXLPYFFFRG-OAHLLOKOSA-N 2 1 306.413 3.233 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000125488543 284276952 /nfs/dbraw/zinc/27/69/52/284276952.db2.gz QONAIWDKQKYYDM-UHFFFAOYSA-N 2 1 318.509 3.170 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000282484153 217031384 /nfs/dbraw/zinc/03/13/84/217031384.db2.gz LXVFOBCBGYOPKM-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000282484153 217031385 /nfs/dbraw/zinc/03/13/85/217031385.db2.gz LXVFOBCBGYOPKM-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271761302 209190826 /nfs/dbraw/zinc/19/08/26/209190826.db2.gz ZUPTYTSYNUHWDS-CQSZACIVSA-N 2 1 317.260 3.101 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274879092 212004294 /nfs/dbraw/zinc/00/42/94/212004294.db2.gz HETNNENXRXTPSR-FXAWDEMLSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1Br ZINC000274880694 212004371 /nfs/dbraw/zinc/00/43/71/212004371.db2.gz GAJYMCXUEFZHSX-NSHDSACASA-N 2 1 308.223 3.076 20 0 DGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000268734926 432127963 /nfs/dbraw/zinc/12/79/63/432127963.db2.gz VIHVTUIWUOMZLK-LBPRGKRZSA-N 2 1 304.356 3.230 20 0 DGADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCCCC1 ZINC000128460770 284376202 /nfs/dbraw/zinc/37/62/02/284376202.db2.gz TXWNKRKEMDOJSO-LJQANCHMSA-N 2 1 309.542 3.353 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000282982642 217368058 /nfs/dbraw/zinc/36/80/58/217368058.db2.gz MEQHGLACWMQDTR-IBGZPJMESA-N 2 1 314.473 3.223 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000282982642 217368060 /nfs/dbraw/zinc/36/80/60/217368060.db2.gz MEQHGLACWMQDTR-IBGZPJMESA-N 2 1 314.473 3.223 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019943245 182168875 /nfs/dbraw/zinc/16/88/75/182168875.db2.gz UBYOTRAMATYNEL-UHFFFAOYSA-N 2 1 317.246 3.410 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894301 246094242 /nfs/dbraw/zinc/09/42/42/246094242.db2.gz MXUVZPUAOMQKNL-ZSYWTGECSA-N 2 1 318.505 3.188 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894301 246094249 /nfs/dbraw/zinc/09/42/49/246094249.db2.gz MXUVZPUAOMQKNL-ZSYWTGECSA-N 2 1 318.505 3.188 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916873 246097075 /nfs/dbraw/zinc/09/70/75/246097075.db2.gz NLUDNGRXDQKIIX-BSDSXHPESA-N 2 1 320.521 3.434 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916873 246097080 /nfs/dbraw/zinc/09/70/80/246097080.db2.gz NLUDNGRXDQKIIX-BSDSXHPESA-N 2 1 320.521 3.434 20 0 DGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493945873 246099721 /nfs/dbraw/zinc/09/97/21/246099721.db2.gz VEZYHECADAKHFF-XWTMOSNGSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493945873 246099724 /nfs/dbraw/zinc/09/97/24/246099724.db2.gz VEZYHECADAKHFF-XWTMOSNGSA-N 2 1 306.494 3.188 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cscc2C)[C@H](C)C1 ZINC000494449600 246149266 /nfs/dbraw/zinc/14/92/66/246149266.db2.gz BWMXOCFGKWISIN-RHSMWYFYSA-N 2 1 310.507 3.283 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267514571 206117591 /nfs/dbraw/zinc/11/75/91/206117591.db2.gz LCVXWJLMXOTOQW-MJGOQNOKSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267514571 206117595 /nfs/dbraw/zinc/11/75/95/206117595.db2.gz LCVXWJLMXOTOQW-MJGOQNOKSA-N 2 1 316.489 3.324 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495009996 246222408 /nfs/dbraw/zinc/22/24/08/246222408.db2.gz VRXISHXRZGHBDC-JEYLPNPQSA-N 2 1 308.470 3.114 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495009996 246222414 /nfs/dbraw/zinc/22/24/14/246222414.db2.gz VRXISHXRZGHBDC-JEYLPNPQSA-N 2 1 308.470 3.114 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000268800915 432136136 /nfs/dbraw/zinc/13/61/36/432136136.db2.gz ANWMYAHOMDXHQE-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000268800915 432136140 /nfs/dbraw/zinc/13/61/40/432136140.db2.gz ANWMYAHOMDXHQE-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000268800915 432136145 /nfs/dbraw/zinc/13/61/45/432136145.db2.gz ANWMYAHOMDXHQE-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000268795493 432137215 /nfs/dbraw/zinc/13/72/15/432137215.db2.gz HUQDWNYZBDMUNQ-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)[C@@H](C)C1 ZINC000268818337 432140643 /nfs/dbraw/zinc/14/06/43/432140643.db2.gz OMHQGGVTFPNUCA-SUMWQHHRSA-N 2 1 303.425 3.169 20 0 DGADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)O[C@@H]1CCCCO1 ZINC000181681977 432140914 /nfs/dbraw/zinc/14/09/14/432140914.db2.gz WWEKUYNCJMPCGL-RTBURBONSA-N 2 1 324.509 3.118 20 0 DGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)O[C@@H]1CCCCO1 ZINC000181681977 432140918 /nfs/dbraw/zinc/14/09/18/432140918.db2.gz WWEKUYNCJMPCGL-RTBURBONSA-N 2 1 324.509 3.118 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000246534998 432142479 /nfs/dbraw/zinc/14/24/79/432142479.db2.gz SABZUAPEAQTDPB-SQNIBIBYSA-N 2 1 323.525 3.055 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000268840140 432144264 /nfs/dbraw/zinc/14/42/64/432144264.db2.gz AJPZNJFVZGIYTE-RDJZCZTQSA-N 2 1 316.445 3.320 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000268916998 432145658 /nfs/dbraw/zinc/14/56/58/432145658.db2.gz SSKBMUARQRLONI-QRQLOZEOSA-N 2 1 304.478 3.158 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000268916998 432145661 /nfs/dbraw/zinc/14/56/61/432145661.db2.gz SSKBMUARQRLONI-QRQLOZEOSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@@H]1n1ccnc1 ZINC000136083259 432146101 /nfs/dbraw/zinc/14/61/01/432146101.db2.gz AWRKXMZRRVCZBX-LPHOPBHVSA-N 2 1 321.428 3.152 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000268911049 432146908 /nfs/dbraw/zinc/14/69/08/432146908.db2.gz MXGUGESZUPXIMA-YSSFQJQWSA-N 2 1 312.457 3.193 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Br)cs1 ZINC000042402415 183264740 /nfs/dbraw/zinc/26/47/40/183264740.db2.gz KNGSYVPGQQMNCX-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916724 432150132 /nfs/dbraw/zinc/15/01/32/432150132.db2.gz HONJWUIPPSHPLH-QGZVFWFLSA-N 2 1 324.509 3.306 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000042418837 183266630 /nfs/dbraw/zinc/26/66/30/183266630.db2.gz BOKKLSJCQMAOLA-LALPHHSUSA-N 2 1 311.267 3.267 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000042418838 183266725 /nfs/dbraw/zinc/26/67/25/183266725.db2.gz BOKKLSJCQMAOLA-TYNCELHUSA-N 2 1 311.267 3.267 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1Br ZINC000042441295 183270066 /nfs/dbraw/zinc/27/00/66/183270066.db2.gz FDUAGELOFUGISF-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000268843246 207007939 /nfs/dbraw/zinc/00/79/39/207007939.db2.gz IPZZNKZNQQIYKW-AWEZNQCLSA-N 2 1 315.417 3.094 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415116812 296314338 /nfs/dbraw/zinc/31/43/38/296314338.db2.gz IFLIBXQDGPSZPR-XLIONFOSSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415116812 296314339 /nfs/dbraw/zinc/31/43/39/296314339.db2.gz IFLIBXQDGPSZPR-XLIONFOSSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415116812 296314341 /nfs/dbraw/zinc/31/43/41/296314341.db2.gz IFLIBXQDGPSZPR-XLIONFOSSA-N 2 1 315.505 3.150 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000268898004 207067032 /nfs/dbraw/zinc/06/70/32/207067032.db2.gz QMVANFKOVSFDOQ-HZPDHXFCSA-N 2 1 302.462 3.488 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000268889468 207057897 /nfs/dbraw/zinc/05/78/97/207057897.db2.gz JEIOTFIKLFDILH-XWYPRVOQSA-N 2 1 312.457 3.192 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268932871 207098064 /nfs/dbraw/zinc/09/80/64/207098064.db2.gz YBEICWJIIODOEG-RRQGHBQHSA-N 2 1 310.869 3.347 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cscn1 ZINC000268975082 207136645 /nfs/dbraw/zinc/13/66/45/207136645.db2.gz NCMKIAFINKGIQV-MAUKXSAKSA-N 2 1 315.486 3.186 20 0 DGADMP CO[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000268969210 207132591 /nfs/dbraw/zinc/13/25/91/207132591.db2.gz ZAHWOGQPEXNPIF-NFWHEIDTSA-N 2 1 302.462 3.195 20 0 DGADMP COc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1OC(F)F ZINC000268985524 207142206 /nfs/dbraw/zinc/14/22/06/207142206.db2.gz ISLVBTZENWVQHW-NWDGAFQWSA-N 2 1 316.392 3.287 20 0 DGADMP CC1(C)CC([NH2+]Cc2cnn(-c3ccccc3)c2)CC(C)(C)[NH2+]1 ZINC000061554956 184174612 /nfs/dbraw/zinc/17/46/12/184174612.db2.gz VAIUKCSICQWINS-UHFFFAOYSA-N 2 1 312.461 3.271 20 0 DGADMP C[N@H+](Cc1cccc(Br)c1)CC1CC[NH+](C)CC1 ZINC000063121434 184271721 /nfs/dbraw/zinc/27/17/21/184271721.db2.gz QHWPSCHKIYHDBQ-UHFFFAOYSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)([NH+](C)C)C1 ZINC000248655197 285015034 /nfs/dbraw/zinc/01/50/34/285015034.db2.gz BGMVVQKCVUCEAP-UYTYNIKBSA-N 2 1 306.494 3.044 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@@H](C)C1 ZINC000248643242 285013322 /nfs/dbraw/zinc/01/33/22/285013322.db2.gz PFYYEVKXACLEHV-KSSFIOAISA-N 2 1 317.452 3.180 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000248678913 285017524 /nfs/dbraw/zinc/01/75/24/285017524.db2.gz BRLQCOYJEFSKDM-NUEKZKHPSA-N 2 1 306.498 3.470 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430546499 532983870 /nfs/dbraw/zinc/98/38/70/532983870.db2.gz XYHWMSQODAPLLB-VXGBXAGGSA-N 2 1 317.260 3.431 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248743085 285022224 /nfs/dbraw/zinc/02/22/24/285022224.db2.gz RUPBVURTMMHABF-ZSYWTGECSA-N 2 1 320.521 3.292 20 0 DGADMP C[C@@H](CC[N@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000248985672 285043575 /nfs/dbraw/zinc/04/35/75/285043575.db2.gz FAIZKKQDCVOQEO-RBUKOAKNSA-N 2 1 316.489 3.224 20 0 DGADMP FC(F)Oc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249061103 285051073 /nfs/dbraw/zinc/05/10/73/285051073.db2.gz PPINEKAUACEFMV-GJZGRUSLSA-N 2 1 310.388 3.047 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000119943559 195067276 /nfs/dbraw/zinc/06/72/76/195067276.db2.gz JGOPQKHVFNIETE-CVEARBPZSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000119943559 195067277 /nfs/dbraw/zinc/06/72/77/195067277.db2.gz JGOPQKHVFNIETE-CVEARBPZSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000119943730 195067807 /nfs/dbraw/zinc/06/78/07/195067807.db2.gz JGOPQKHVFNIETE-HOTGVXAUSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000119943730 195067808 /nfs/dbraw/zinc/06/78/08/195067808.db2.gz JGOPQKHVFNIETE-HOTGVXAUSA-N 2 1 318.461 3.373 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000269998293 208051537 /nfs/dbraw/zinc/05/15/37/208051537.db2.gz XGVBEFIHFKRMGG-XUVXKRRUSA-N 2 1 310.441 3.090 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000269998290 208051854 /nfs/dbraw/zinc/05/18/54/208051854.db2.gz XGVBEFIHFKRMGG-HSALFYBXSA-N 2 1 310.441 3.090 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)sc1Br ZINC000336749546 253000233 /nfs/dbraw/zinc/00/02/33/253000233.db2.gz UCYIUDLRGVNVDQ-SECBINFHSA-N 2 1 305.285 3.106 20 0 DGADMP COc1cccc(CCC[N@H+]2C[C@@H](N)[C@@H](c3ccccc3)C2)c1 ZINC000337040808 253039404 /nfs/dbraw/zinc/03/94/04/253039404.db2.gz AZORGYXUIRHFQK-WOJBJXKFSA-N 2 1 310.441 3.055 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1 ZINC000337195266 253059731 /nfs/dbraw/zinc/05/97/31/253059731.db2.gz ATJXHTNBIHTLDV-UHFFFAOYSA-N 2 1 311.267 3.367 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1 ZINC000337195266 253059732 /nfs/dbraw/zinc/05/97/32/253059732.db2.gz ATJXHTNBIHTLDV-UHFFFAOYSA-N 2 1 311.267 3.367 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337285741 253078594 /nfs/dbraw/zinc/07/85/94/253078594.db2.gz KERXUCDHUVUJFB-ZHALLVOQSA-N 2 1 301.478 3.429 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000337347061 253093307 /nfs/dbraw/zinc/09/33/07/253093307.db2.gz XDURIAXRAHUADQ-QGZVFWFLSA-N 2 1 304.478 3.097 20 0 DGADMP FC(F)O[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000337568809 253140699 /nfs/dbraw/zinc/14/06/99/253140699.db2.gz ZUOIGUCPZYXHDU-DLBZAZTESA-N 2 1 324.415 3.401 20 0 DGADMP COc1cc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000337682445 253158588 /nfs/dbraw/zinc/15/85/88/253158588.db2.gz NWEUZDZEHXGLOE-UHFFFAOYSA-N 2 1 320.477 3.317 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000337682445 253158591 /nfs/dbraw/zinc/15/85/91/253158591.db2.gz NWEUZDZEHXGLOE-UHFFFAOYSA-N 2 1 320.477 3.317 20 0 DGADMP Cc1ncc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337811284 253177807 /nfs/dbraw/zinc/17/78/07/253177807.db2.gz MLFAEDMOZDZUTM-LJQANCHMSA-N 2 1 324.472 3.175 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cn1 ZINC000337811284 253177809 /nfs/dbraw/zinc/17/78/09/253177809.db2.gz MLFAEDMOZDZUTM-LJQANCHMSA-N 2 1 324.472 3.175 20 0 DGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338023569 253211494 /nfs/dbraw/zinc/21/14/94/253211494.db2.gz SQGUBXRJFNIWQE-GJZGRUSLSA-N 2 1 301.434 3.372 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000338022871 253211915 /nfs/dbraw/zinc/21/19/15/253211915.db2.gz YNBZEHMCVIBVEF-GFCCVEGCSA-N 2 1 304.463 3.268 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000338032272 253213424 /nfs/dbraw/zinc/21/34/24/253213424.db2.gz VGVZBFRVIHWRMS-GOEBONIOSA-N 2 1 312.404 3.258 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000338032272 253213426 /nfs/dbraw/zinc/21/34/26/253213426.db2.gz VGVZBFRVIHWRMS-GOEBONIOSA-N 2 1 312.404 3.258 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C12CCCCC2 ZINC000338013989 253210058 /nfs/dbraw/zinc/21/00/58/253210058.db2.gz PRHXTWLIFQHQPG-IRXDYDNUSA-N 2 1 305.466 3.299 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301406 253260270 /nfs/dbraw/zinc/26/02/70/253260270.db2.gz BHGAFCNDVFRKSI-HOCLYGCPSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301406 253260271 /nfs/dbraw/zinc/26/02/71/253260271.db2.gz BHGAFCNDVFRKSI-HOCLYGCPSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301406 253260273 /nfs/dbraw/zinc/26/02/73/253260273.db2.gz BHGAFCNDVFRKSI-HOCLYGCPSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301406 253260274 /nfs/dbraw/zinc/26/02/74/253260274.db2.gz BHGAFCNDVFRKSI-HOCLYGCPSA-N 2 1 313.445 3.163 20 0 DGADMP CC[NH+](CC)CCCN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000338393680 253279835 /nfs/dbraw/zinc/27/98/35/253279835.db2.gz WSEKLNZODKFWAU-UHFFFAOYSA-N 2 1 318.509 3.131 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338323498 253265861 /nfs/dbraw/zinc/26/58/61/253265861.db2.gz ZYGZRRVFOZOSJM-HZPDHXFCSA-N 2 1 318.452 3.245 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000159059054 197323656 /nfs/dbraw/zinc/32/36/56/197323656.db2.gz HJTVKDWWZARQLQ-IBGZPJMESA-N 2 1 319.493 3.259 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000338939171 253373482 /nfs/dbraw/zinc/37/34/82/253373482.db2.gz GVLOQCYOGYBIKZ-IYBDPMFKSA-N 2 1 320.452 3.147 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCn2ccnc2C)C12CCCCC2 ZINC000342606243 254016683 /nfs/dbraw/zinc/01/66/83/254016683.db2.gz KAEOGUHYKGZVOX-SJORKVTESA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606243 254016685 /nfs/dbraw/zinc/01/66/85/254016685.db2.gz KAEOGUHYKGZVOX-SJORKVTESA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606243 254016686 /nfs/dbraw/zinc/01/66/86/254016686.db2.gz KAEOGUHYKGZVOX-SJORKVTESA-N 2 1 305.466 3.251 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000342620764 254020098 /nfs/dbraw/zinc/02/00/98/254020098.db2.gz ADZBFSGNXZMYSE-IBGZPJMESA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000342929328 254076054 /nfs/dbraw/zinc/07/60/54/254076054.db2.gz RDBZFVHGBXXDDM-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000342929328 254076057 /nfs/dbraw/zinc/07/60/57/254076057.db2.gz RDBZFVHGBXXDDM-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000342929328 254076059 /nfs/dbraw/zinc/07/60/59/254076059.db2.gz RDBZFVHGBXXDDM-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(-c2ccncc2)c1 ZINC000343585448 254164229 /nfs/dbraw/zinc/16/42/29/254164229.db2.gz XOHFYYNISYHIDY-UXHICEINSA-N 2 1 307.441 3.465 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000343940410 254204817 /nfs/dbraw/zinc/20/48/17/254204817.db2.gz SHZURMHSSYXQBE-VKSUQKOCSA-N 2 1 302.462 3.225 20 0 DGADMP Cc1cnccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000294656892 224147804 /nfs/dbraw/zinc/14/78/04/224147804.db2.gz AAPQMTWMINYSIR-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000344102369 254225299 /nfs/dbraw/zinc/22/52/99/254225299.db2.gz NLPGDDOOAQXHLA-CVEARBPZSA-N 2 1 312.885 3.329 20 0 DGADMP Cc1cnccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000294656892 224147807 /nfs/dbraw/zinc/14/78/07/224147807.db2.gz AAPQMTWMINYSIR-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cnccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000294656892 224147809 /nfs/dbraw/zinc/14/78/09/224147809.db2.gz AAPQMTWMINYSIR-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cnccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000294656892 224147812 /nfs/dbraw/zinc/14/78/12/224147812.db2.gz AAPQMTWMINYSIR-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)o1 ZINC000344002167 254211109 /nfs/dbraw/zinc/21/11/09/254211109.db2.gz XBERFHJRGQHKNW-CQSZACIVSA-N 2 1 317.433 3.028 20 0 DGADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000344548251 254281696 /nfs/dbraw/zinc/28/16/96/254281696.db2.gz NFBCCIUMXVELMD-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000344548251 254281698 /nfs/dbraw/zinc/28/16/98/254281698.db2.gz NFBCCIUMXVELMD-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP CCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000345140793 254333302 /nfs/dbraw/zinc/33/33/02/254333302.db2.gz MFVFSTBFSORWBM-UHFFFAOYSA-N 2 1 318.461 3.226 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000345179136 254337315 /nfs/dbraw/zinc/33/73/15/254337315.db2.gz VIZALUSBKQSIFQ-UHFFFAOYSA-N 2 1 305.472 3.223 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000344691210 254296717 /nfs/dbraw/zinc/29/67/17/254296717.db2.gz XPXGNMHEVREZIJ-HOCLYGCPSA-N 2 1 306.450 3.056 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000344691210 254296719 /nfs/dbraw/zinc/29/67/19/254296719.db2.gz XPXGNMHEVREZIJ-HOCLYGCPSA-N 2 1 306.450 3.056 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000261820012 285193477 /nfs/dbraw/zinc/19/34/77/285193477.db2.gz ARFHNWJJDFSQIA-OKZBNKHCSA-N 3 1 307.526 3.150 20 0 DGADMP CCCCOCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272367742 285210828 /nfs/dbraw/zinc/21/08/28/285210828.db2.gz ALYLJADGGUGBJW-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000154924266 197005747 /nfs/dbraw/zinc/00/57/47/197005747.db2.gz RCENBZDPWNZSSN-IBGZPJMESA-N 2 1 318.505 3.344 20 0 DGADMP OC1(c2ccccc2)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000274219915 285241663 /nfs/dbraw/zinc/24/16/63/285241663.db2.gz CFYMWPIKDKOERM-UHFFFAOYSA-N 2 1 314.473 3.033 20 0 DGADMP C[NH+](C)CCOc1ccccc1CNc1cc[nH+]cc1Cl ZINC000290721715 285245559 /nfs/dbraw/zinc/24/55/59/285245559.db2.gz YZVKIXHCVJRXIJ-UHFFFAOYSA-N 2 1 305.809 3.288 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271574431 209024766 /nfs/dbraw/zinc/02/47/66/209024766.db2.gz ZNBJWOMYSPJJJV-JENIJYKNSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271574431 209024770 /nfs/dbraw/zinc/02/47/70/209024770.db2.gz ZNBJWOMYSPJJJV-JENIJYKNSA-N 2 1 318.505 3.284 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151903000 196744610 /nfs/dbraw/zinc/74/46/10/196744610.db2.gz PKYONYPUKOHBHN-HNNXBMFYSA-N 2 1 320.481 3.163 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1O ZINC000289617716 221106385 /nfs/dbraw/zinc/10/63/85/221106385.db2.gz GQFPIFZHQMXNJA-ZDUSSCGKSA-N 2 1 304.434 3.068 20 0 DGADMP CC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000289597673 221093435 /nfs/dbraw/zinc/09/34/35/221093435.db2.gz BJDUOWAHQIDXPK-RDGPPVDQSA-N 2 1 302.462 3.197 20 0 DGADMP Cn1cccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289685292 221153592 /nfs/dbraw/zinc/15/35/92/221153592.db2.gz OCHHXJVOFHWBSO-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1cccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289685292 221153595 /nfs/dbraw/zinc/15/35/95/221153595.db2.gz OCHHXJVOFHWBSO-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289685292 221153598 /nfs/dbraw/zinc/15/35/98/221153598.db2.gz OCHHXJVOFHWBSO-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289685292 221153601 /nfs/dbraw/zinc/15/36/01/221153601.db2.gz OCHHXJVOFHWBSO-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000337565651 285314315 /nfs/dbraw/zinc/31/43/15/285314315.db2.gz AZCLMWYFYYNZTF-ZIAGYGMSSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000337565651 285314320 /nfs/dbraw/zinc/31/43/20/285314320.db2.gz AZCLMWYFYYNZTF-ZIAGYGMSSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000337565649 285314345 /nfs/dbraw/zinc/31/43/45/285314345.db2.gz AZCLMWYFYYNZTF-KGLIPLIRSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000337565649 285314352 /nfs/dbraw/zinc/31/43/52/285314352.db2.gz AZCLMWYFYYNZTF-KGLIPLIRSA-N 2 1 314.351 3.302 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCOC3(CCC3)C1)C2 ZINC000294899505 224295315 /nfs/dbraw/zinc/29/53/15/224295315.db2.gz ZCQHEBPWOVGICM-IBGZPJMESA-N 2 1 314.473 3.126 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCOC3(CCC3)C1)C2 ZINC000294899505 224295317 /nfs/dbraw/zinc/29/53/17/224295317.db2.gz ZCQHEBPWOVGICM-IBGZPJMESA-N 2 1 314.473 3.126 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289971871 221351078 /nfs/dbraw/zinc/35/10/78/221351078.db2.gz XLOOXLPDNYXXJW-LBPRGKRZSA-N 2 1 314.271 3.225 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289971871 221351080 /nfs/dbraw/zinc/35/10/80/221351080.db2.gz XLOOXLPDNYXXJW-LBPRGKRZSA-N 2 1 314.271 3.225 20 0 DGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000353536397 285360931 /nfs/dbraw/zinc/36/09/31/285360931.db2.gz BJDUOWAHQIDXPK-XVLXNVKGSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[NH+]1CCCC1 ZINC000121155494 195300067 /nfs/dbraw/zinc/30/00/67/195300067.db2.gz AZKDAENJBBZYTJ-FJIDUMEYSA-N 2 1 306.494 3.044 20 0 DGADMP C(CC1CC[NH+](Cc2nc(C3CC3)no2)CC1)C[NH+]1CCCC1 ZINC000121691620 195330301 /nfs/dbraw/zinc/33/03/01/195330301.db2.gz QJGCOQHQDVNYHY-UHFFFAOYSA-N 2 1 318.465 3.035 20 0 DGADMP C(CC1CCN(CC[NH+]2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000121859564 195362277 /nfs/dbraw/zinc/36/22/77/195362277.db2.gz XEPAJGQSVDPESU-UHFFFAOYSA-N 2 1 307.526 3.060 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000121865297 195363730 /nfs/dbraw/zinc/36/37/30/195363730.db2.gz AQPBPUATWLWMLP-SFHVURJKSA-N 2 1 302.462 3.046 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423175077 533361129 /nfs/dbraw/zinc/36/11/29/533361129.db2.gz CVRRRXHUQHWESR-OAHLLOKOSA-N 2 1 315.461 3.126 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559206 533419932 /nfs/dbraw/zinc/41/99/32/533419932.db2.gz FZRCTLMDQSKYOZ-KGLIPLIRSA-N 2 1 304.463 3.034 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559206 533419936 /nfs/dbraw/zinc/41/99/36/533419936.db2.gz FZRCTLMDQSKYOZ-KGLIPLIRSA-N 2 1 304.463 3.034 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1OC1CCCC1 ZINC000415082663 533512125 /nfs/dbraw/zinc/51/21/25/533512125.db2.gz DMYLGQVZNFUVAK-OAHLLOKOSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)c1OC1CCCC1 ZINC000415086357 533514062 /nfs/dbraw/zinc/51/40/62/533514062.db2.gz JOAIHRVTLPRPNC-LJQANCHMSA-N 2 1 318.461 3.106 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415053165 533555623 /nfs/dbraw/zinc/55/56/23/533555623.db2.gz OIBDGEUJTSEIIZ-GDBMZVCRSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415053165 533555626 /nfs/dbraw/zinc/55/56/26/533555626.db2.gz OIBDGEUJTSEIIZ-GDBMZVCRSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OCC(C)C ZINC000442916954 533557777 /nfs/dbraw/zinc/55/77/77/533557777.db2.gz BDUAUQAPCIUBDO-MRXNPFEDSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441458574 533625910 /nfs/dbraw/zinc/62/59/10/533625910.db2.gz OYWIWZQWUGFJCH-GUDVDZBRSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441458574 533625925 /nfs/dbraw/zinc/62/59/25/533625925.db2.gz OYWIWZQWUGFJCH-GUDVDZBRSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000091075569 400092616 /nfs/dbraw/zinc/09/26/16/400092616.db2.gz MMRZKVNYELXREH-UHFFFAOYSA-N 2 1 314.477 3.082 20 0 DGADMP CC(C)(C)c1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000090948587 400083917 /nfs/dbraw/zinc/08/39/17/400083917.db2.gz BMRZUEKKZKFOAB-UKRRQHHQSA-N 2 1 307.507 3.200 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000090975016 400084507 /nfs/dbraw/zinc/08/45/07/400084507.db2.gz CMPIZFOGZKVWJR-VXLLPVPCSA-N 2 1 324.509 3.207 20 0 DGADMP COc1cc(F)cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000090972506 400084903 /nfs/dbraw/zinc/08/49/03/400084903.db2.gz QEXPXEUJOPLSSX-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP COc1cccnc1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788624 400131812 /nfs/dbraw/zinc/13/18/12/400131812.db2.gz NZUBEIVTURVFQM-WBVHZDCISA-N 2 1 311.429 3.413 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCSCc1ccccc1)C2 ZINC000595504166 400170491 /nfs/dbraw/zinc/17/04/91/400170491.db2.gz FKBUPSLXFDTFMC-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCSCc1ccccc1)C2 ZINC000595504166 400170492 /nfs/dbraw/zinc/17/04/92/400170492.db2.gz FKBUPSLXFDTFMC-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCSCc1ccccc1)C2 ZINC000595504166 400170497 /nfs/dbraw/zinc/17/04/97/400170497.db2.gz FKBUPSLXFDTFMC-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595886591 400288087 /nfs/dbraw/zinc/28/80/87/400288087.db2.gz XBNNSLQNFPUFJK-SJORKVTESA-N 2 1 304.503 3.438 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccns1 ZINC000404454904 400295634 /nfs/dbraw/zinc/29/56/34/400295634.db2.gz IUNPVLGKOFJNGB-PBHICJAKSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404454904 400295642 /nfs/dbraw/zinc/29/56/42/400295642.db2.gz IUNPVLGKOFJNGB-PBHICJAKSA-N 2 1 301.459 3.143 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000589647571 400318007 /nfs/dbraw/zinc/31/80/07/400318007.db2.gz PWAJNGBZSMNIIL-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(SC)cc2)CC1 ZINC000072559206 400389121 /nfs/dbraw/zinc/38/91/21/400389121.db2.gz IEHVFGYRABCQCT-UHFFFAOYSA-N 2 1 308.491 3.203 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(SC)cc2)CC1 ZINC000072559206 400389130 /nfs/dbraw/zinc/38/91/30/400389130.db2.gz IEHVFGYRABCQCT-UHFFFAOYSA-N 2 1 308.491 3.203 20 0 DGADMP COc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1OC(C)C ZINC000069754151 400341957 /nfs/dbraw/zinc/34/19/57/400341957.db2.gz JUVQGVYWUQNSED-UHFFFAOYSA-N 2 1 317.433 3.167 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000115628707 400399348 /nfs/dbraw/zinc/39/93/48/400399348.db2.gz KHFJPNCXCCXGTA-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000040620693 400401955 /nfs/dbraw/zinc/40/19/55/400401955.db2.gz RKWXIVITQULNPD-AWEZNQCLSA-N 2 1 311.267 3.269 20 0 DGADMP CC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000130253386 400535864 /nfs/dbraw/zinc/53/58/64/400535864.db2.gz DKHJQRIMANWZBF-MRXNPFEDSA-N 2 1 303.450 3.127 20 0 DGADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000131603356 400552317 /nfs/dbraw/zinc/55/23/17/400552317.db2.gz YUVHAYDCFMAAGB-KRWDZBQOSA-N 2 1 321.465 3.027 20 0 DGADMP CCOC(=O)CC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000131603356 400552320 /nfs/dbraw/zinc/55/23/20/400552320.db2.gz YUVHAYDCFMAAGB-KRWDZBQOSA-N 2 1 321.465 3.027 20 0 DGADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000131603356 400552326 /nfs/dbraw/zinc/55/23/26/400552326.db2.gz YUVHAYDCFMAAGB-KRWDZBQOSA-N 2 1 321.465 3.027 20 0 DGADMP COC(=O)c1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)oc1C ZINC000603110650 400643882 /nfs/dbraw/zinc/64/38/82/400643882.db2.gz NXJGIFIPTRXJEN-UHFFFAOYSA-N 2 1 322.449 3.073 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593094816 400761745 /nfs/dbraw/zinc/76/17/45/400761745.db2.gz IJAAKSXYACPKRK-INIZCTEOSA-N 2 1 321.465 3.168 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593094816 400761747 /nfs/dbraw/zinc/76/17/47/400761747.db2.gz IJAAKSXYACPKRK-INIZCTEOSA-N 2 1 321.465 3.168 20 0 DGADMP COc1cccc(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000172419049 400826571 /nfs/dbraw/zinc/82/65/71/400826571.db2.gz JIULVQXTNSYORD-GFCCVEGCSA-N 2 1 307.825 3.279 20 0 DGADMP COC(=O)CC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000599025775 400930721 /nfs/dbraw/zinc/93/07/21/400930721.db2.gz QJBOWUNNCVPWLE-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP COC(=O)CC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000599025775 400930723 /nfs/dbraw/zinc/93/07/23/400930723.db2.gz QJBOWUNNCVPWLE-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629589865 400985023 /nfs/dbraw/zinc/98/50/23/400985023.db2.gz BTQUJINCUVIIHL-BXWFABGCSA-N 2 1 302.462 3.010 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1F ZINC000629589052 400985326 /nfs/dbraw/zinc/98/53/26/400985326.db2.gz PPVIJMQZSCILFR-MRXNPFEDSA-N 2 1 306.425 3.013 20 0 DGADMP COC[C@H](C)[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629590271 400985455 /nfs/dbraw/zinc/98/54/55/400985455.db2.gz SFSNPXZBQYWZJK-JXFKEZNVSA-N 2 1 316.489 3.401 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@H]1C(F)(F)F ZINC000629654695 401019898 /nfs/dbraw/zinc/01/98/98/401019898.db2.gz PQYMJGWXGYOXGE-GOEBONIOSA-N 2 1 312.379 3.134 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629653319 401020042 /nfs/dbraw/zinc/02/00/42/401020042.db2.gz DWXURQFCICVYJH-OCCSQVGLSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629653319 401020050 /nfs/dbraw/zinc/02/00/50/401020050.db2.gz DWXURQFCICVYJH-OCCSQVGLSA-N 2 1 304.331 3.093 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C(F)(F)F ZINC000629653305 401017658 /nfs/dbraw/zinc/01/76/58/401017658.db2.gz DUWBRPKYVPZNSW-CABCVRRESA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C(F)(F)F ZINC000629653305 401017665 /nfs/dbraw/zinc/01/76/65/401017665.db2.gz DUWBRPKYVPZNSW-CABCVRRESA-N 2 1 323.362 3.194 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629652420 401017930 /nfs/dbraw/zinc/01/79/30/401017930.db2.gz AHFJJVJOKAJAOU-YUELXQCFSA-N 2 1 300.368 3.249 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@H]1C(F)(F)F ZINC000629563295 400978366 /nfs/dbraw/zinc/97/83/66/400978366.db2.gz OZRAPQMSKQKSJW-DZGCQCFKSA-N 2 1 318.358 3.217 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565793 400979418 /nfs/dbraw/zinc/97/94/18/400979418.db2.gz XFYTWJNAHBGKJL-HIFRSBDPSA-N 2 1 300.368 3.263 20 0 DGADMP CSc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564541 400979987 /nfs/dbraw/zinc/97/99/87/400979987.db2.gz SNSAPEYPVMHLCI-STQMWFEESA-N 2 1 318.408 3.368 20 0 DGADMP CSc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564541 400979991 /nfs/dbraw/zinc/97/99/91/400979991.db2.gz SNSAPEYPVMHLCI-STQMWFEESA-N 2 1 318.408 3.368 20 0 DGADMP c1cc(C[NH2+]C2CC2)cc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000629733312 401065006 /nfs/dbraw/zinc/06/50/06/401065006.db2.gz NPYIGZWZQPSUNC-UHFFFAOYSA-N 2 1 322.452 3.438 20 0 DGADMP COC(=O)CCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000599354510 401031155 /nfs/dbraw/zinc/03/11/55/401031155.db2.gz PRWQVBIVXHXWBG-CQSZACIVSA-N 2 1 315.417 3.175 20 0 DGADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000629699690 401046311 /nfs/dbraw/zinc/04/63/11/401046311.db2.gz AYJRCDLZFAJLSY-ZDUSSCGKSA-N 2 1 313.470 3.440 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358234362 286006164 /nfs/dbraw/zinc/00/61/64/286006164.db2.gz WUSVNUZCENODLX-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358234362 286006166 /nfs/dbraw/zinc/00/61/66/286006166.db2.gz WUSVNUZCENODLX-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP CCOc1cncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000621327385 401167658 /nfs/dbraw/zinc/16/76/58/401167658.db2.gz LRRFWUTVTCQWSJ-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP CCOc1cncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000621327385 401167664 /nfs/dbraw/zinc/16/76/64/401167664.db2.gz LRRFWUTVTCQWSJ-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP CCCc1ccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)s1 ZINC000621328838 401168032 /nfs/dbraw/zinc/16/80/32/401168032.db2.gz FUCSRQKQMOKQRT-UHFFFAOYSA-N 2 1 323.550 3.208 20 0 DGADMP CC(C)CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254044 286012078 /nfs/dbraw/zinc/01/20/78/286012078.db2.gz PKAHOMZMILTTIJ-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254044 286012081 /nfs/dbraw/zinc/01/20/81/286012081.db2.gz PKAHOMZMILTTIJ-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259877 286013715 /nfs/dbraw/zinc/01/37/15/286013715.db2.gz VBUVAVILWKPLTQ-GJZGRUSLSA-N 2 1 317.260 3.101 20 0 DGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259877 286013716 /nfs/dbraw/zinc/01/37/16/286013716.db2.gz VBUVAVILWKPLTQ-GJZGRUSLSA-N 2 1 317.260 3.101 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260314 286013746 /nfs/dbraw/zinc/01/37/46/286013746.db2.gz XRBVGDFZAWPLRJ-SJORKVTESA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260314 286013747 /nfs/dbraw/zinc/01/37/47/286013747.db2.gz XRBVGDFZAWPLRJ-SJORKVTESA-N 2 1 310.869 3.083 20 0 DGADMP CCOc1cncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000621339210 401173831 /nfs/dbraw/zinc/17/38/31/401173831.db2.gz YJNFNEWDGIJGKZ-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP CCOc1cncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000621343419 401175436 /nfs/dbraw/zinc/17/54/36/401175436.db2.gz GBBZSOGNOLBEOJ-DOTOQJQBSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000621343419 401175440 /nfs/dbraw/zinc/17/54/40/401175440.db2.gz GBBZSOGNOLBEOJ-DOTOQJQBSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)CC[N@@H+]1C ZINC000358311775 286028265 /nfs/dbraw/zinc/02/82/65/286028265.db2.gz ZPMLFWZSHDSGKF-NXWXRZEISA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)CC[N@H+]1C ZINC000358311775 286028268 /nfs/dbraw/zinc/02/82/68/286028268.db2.gz ZPMLFWZSHDSGKF-NXWXRZEISA-N 2 1 302.462 3.197 20 0 DGADMP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)n[nH]1 ZINC000090532707 401267927 /nfs/dbraw/zinc/26/79/27/401267927.db2.gz NLFQVDIJNSFLRX-CQSZACIVSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000089555315 401227713 /nfs/dbraw/zinc/22/77/13/401227713.db2.gz RTGIWGRPUAQTLA-WBVHZDCISA-N 2 1 304.478 3.293 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000090015252 401248017 /nfs/dbraw/zinc/24/80/17/401248017.db2.gz RWXMCXURVWIJRF-YSIASYRMSA-N 2 1 316.489 3.017 20 0 DGADMP c1cnc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC000634687933 401335040 /nfs/dbraw/zinc/33/50/40/401335040.db2.gz DCDNXFFJTMMEKS-DLBZAZTESA-N 2 1 309.457 3.446 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000631097408 401392479 /nfs/dbraw/zinc/39/24/79/401392479.db2.gz ADXLJXALKMILBW-SFHVURJKSA-N 2 1 317.477 3.103 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000631097408 401392482 /nfs/dbraw/zinc/39/24/82/401392482.db2.gz ADXLJXALKMILBW-SFHVURJKSA-N 2 1 317.477 3.103 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2nccnc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000634975119 401392984 /nfs/dbraw/zinc/39/29/84/401392984.db2.gz RLDBAUOICDXDIP-DOTOQJQBSA-N 2 1 324.472 3.372 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000634998557 401398756 /nfs/dbraw/zinc/39/87/56/401398756.db2.gz HFUKNLSJIUNPMA-UHFFFAOYSA-N 2 1 313.489 3.495 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196433 401423619 /nfs/dbraw/zinc/42/36/19/401423619.db2.gz RPMBALQUTAYOAF-ZHALLVOQSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631197072 401423855 /nfs/dbraw/zinc/42/38/55/401423855.db2.gz WVWBLTAUBCUMCC-RHSMWYFYSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631197072 401423858 /nfs/dbraw/zinc/42/38/58/401423858.db2.gz WVWBLTAUBCUMCC-RHSMWYFYSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259190 401440008 /nfs/dbraw/zinc/44/00/08/401440008.db2.gz MPHVEJPFMPVOBD-RBUKOAKNSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259190 401440021 /nfs/dbraw/zinc/44/00/21/401440021.db2.gz MPHVEJPFMPVOBD-RBUKOAKNSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)c(C[NH+](C)C)c1 ZINC000635565910 401454984 /nfs/dbraw/zinc/45/49/84/401454984.db2.gz GUECYKTUOPTIIT-UHFFFAOYSA-N 2 1 314.433 3.015 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000631653998 401524705 /nfs/dbraw/zinc/52/47/05/401524705.db2.gz DISSZNUHQQJGAN-SJORKVTESA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCn2nccc21 ZINC000631664584 401529068 /nfs/dbraw/zinc/52/90/68/401529068.db2.gz PZZOYWFNKXEZDE-NZSAHSFTSA-N 2 1 324.472 3.076 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCn2nccc21 ZINC000631664584 401529072 /nfs/dbraw/zinc/52/90/72/401529072.db2.gz PZZOYWFNKXEZDE-NZSAHSFTSA-N 2 1 324.472 3.076 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631671170 401531789 /nfs/dbraw/zinc/53/17/89/401531789.db2.gz YWHFMLLKTAIEAJ-LWYYNNOASA-N 2 1 316.489 3.323 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC000623510996 401536644 /nfs/dbraw/zinc/53/66/44/401536644.db2.gz VLZYMWOCOPJCPN-QGZVFWFLSA-N 2 1 320.440 3.175 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000623655901 401562465 /nfs/dbraw/zinc/56/24/65/401562465.db2.gz IFWFAPNIEBPYNU-HNNXBMFYSA-N 2 1 312.404 3.152 20 0 DGADMP Cc1csc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC000623865842 401590355 /nfs/dbraw/zinc/59/03/55/401590355.db2.gz CJCQZKNUSAJUDD-CQSZACIVSA-N 2 1 319.474 3.243 20 0 DGADMP Cc1cccc([C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C(C)C)c1 ZINC000623894166 401595426 /nfs/dbraw/zinc/59/54/26/401595426.db2.gz KWLRUOIBDTWWTI-SFHVURJKSA-N 2 1 304.478 3.393 20 0 DGADMP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]c1C ZINC000628185675 401544753 /nfs/dbraw/zinc/54/47/53/401544753.db2.gz HNMSINQMEGRUGX-UHFFFAOYSA-N 2 1 304.482 3.115 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624110283 401627279 /nfs/dbraw/zinc/62/72/79/401627279.db2.gz UUFFPHTVUUHNKV-DFQSSKMNSA-N 2 1 318.505 3.284 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119580 401628187 /nfs/dbraw/zinc/62/81/87/401628187.db2.gz FMLQILYDKHPYHO-BEFAXECRSA-N 2 1 302.462 3.394 20 0 DGADMP c1sc(C2CCCC2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506321 286080078 /nfs/dbraw/zinc/08/00/78/286080078.db2.gz MADFBMUILJLVBA-UHFFFAOYSA-N 2 1 305.491 3.376 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)on2)cc1 ZINC000358505472 286079751 /nfs/dbraw/zinc/07/97/51/286079751.db2.gz ILEPJGCVFDHBNQ-UHFFFAOYSA-N 2 1 311.429 3.226 20 0 DGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397348 401683908 /nfs/dbraw/zinc/68/39/08/401683908.db2.gz ZVLMABBWTDGMQS-UMVBOHGHSA-N 2 1 312.404 3.339 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358715984 286131702 /nfs/dbraw/zinc/13/17/02/286131702.db2.gz FACCCVOJLNZJQX-CQSZACIVSA-N 2 1 304.482 3.176 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnn2C)CC1)CC(C)C ZINC000358733064 286135852 /nfs/dbraw/zinc/13/58/52/286135852.db2.gz AEJGUAOADOLEKT-UHFFFAOYSA-N 2 1 306.498 3.000 20 0 DGADMP CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359198690 286259605 /nfs/dbraw/zinc/25/96/05/286259605.db2.gz WOQPCYDWIMWINZ-SFHVURJKSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359200591 286260167 /nfs/dbraw/zinc/26/01/67/286260167.db2.gz GAWFBKJHFIBHRY-GOSISDBHSA-N 2 1 318.461 3.230 20 0 DGADMP CC[C@H](COC)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000359924825 286389690 /nfs/dbraw/zinc/38/96/90/286389690.db2.gz JHTMOAJKWZXBDG-QFBILLFUSA-N 2 1 304.478 3.433 20 0 DGADMP COCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428225106 292363539 /nfs/dbraw/zinc/36/35/39/292363539.db2.gz XZFDKXOKTMFENO-SLFFLAALSA-N 2 1 316.489 3.303 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000362292388 286796362 /nfs/dbraw/zinc/79/63/62/286796362.db2.gz ARBPLPKOOXIDKR-MAUKXSAKSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)s1 ZINC000268852979 287022505 /nfs/dbraw/zinc/02/25/05/287022505.db2.gz CNPFGZDKAOIJDT-CHWSQXEVSA-N 2 1 316.898 3.289 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000364827963 287065327 /nfs/dbraw/zinc/06/53/27/287065327.db2.gz CGGJSJHMYHXNRG-SQNIBIBYSA-N 2 1 318.509 3.300 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186599155 165052211 /nfs/dbraw/zinc/05/22/11/165052211.db2.gz NMOLFWUHTYFYLB-LJQANCHMSA-N 2 1 311.429 3.103 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186599155 165052216 /nfs/dbraw/zinc/05/22/16/165052216.db2.gz NMOLFWUHTYFYLB-LJQANCHMSA-N 2 1 311.429 3.103 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000430731502 287106980 /nfs/dbraw/zinc/10/69/80/287106980.db2.gz MHOWCODSQJNMEY-UHOSZYNNSA-N 2 1 309.542 3.064 20 0 DGADMP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCCC1 ZINC000192647913 165299853 /nfs/dbraw/zinc/29/98/53/165299853.db2.gz KEZQNAYPBUFDIA-XVLXNVKGSA-N 2 1 307.526 3.102 20 0 DGADMP Cc1c[nH+]ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192924684 165309662 /nfs/dbraw/zinc/30/96/62/165309662.db2.gz FRFCKEIQNOYQME-GOSISDBHSA-N 2 1 311.429 3.093 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193330095 165322775 /nfs/dbraw/zinc/32/27/75/165322775.db2.gz XLPAEJBEKVEFOF-MQVJKMGUSA-N 2 1 323.278 3.472 20 0 DGADMP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000215645213 165376407 /nfs/dbraw/zinc/37/64/07/165376407.db2.gz QAGRLDVNWUHAQS-IRXDYDNUSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000171689617 432159990 /nfs/dbraw/zinc/15/99/90/432159990.db2.gz BHNPASRTHDEQRA-UHFFFAOYSA-N 2 1 323.868 3.131 20 0 DGADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246818540 432168335 /nfs/dbraw/zinc/16/83/35/432168335.db2.gz ANTAEXHBIPMNRC-QFBILLFUSA-N 2 1 307.526 3.103 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246891666 432178440 /nfs/dbraw/zinc/17/84/40/432178440.db2.gz UAULYZXGXANAPL-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246891666 432178441 /nfs/dbraw/zinc/17/84/41/432178441.db2.gz UAULYZXGXANAPL-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246891666 432178446 /nfs/dbraw/zinc/17/84/46/432178446.db2.gz UAULYZXGXANAPL-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP Fc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246856113 432173281 /nfs/dbraw/zinc/17/32/81/432173281.db2.gz PHODZVZXZMNMCH-KSSFIOAISA-N 2 1 306.400 3.414 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000246972420 432187032 /nfs/dbraw/zinc/18/70/32/432187032.db2.gz INFQBLMJCTWPNE-KCYZZUKISA-N 2 1 308.441 3.301 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246978713 432187464 /nfs/dbraw/zinc/18/74/64/432187464.db2.gz JPAKOXJERSTTPI-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246978713 432187467 /nfs/dbraw/zinc/18/74/67/432187467.db2.gz JPAKOXJERSTTPI-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nccn1C ZINC000172013585 432190650 /nfs/dbraw/zinc/19/06/50/432190650.db2.gz LQRVOVXXUMVCTE-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP Fc1ccccc1SCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150823915 432195177 /nfs/dbraw/zinc/19/51/77/432195177.db2.gz XJFADCBWCUHMNI-OAHLLOKOSA-N 2 1 308.466 3.336 20 0 DGADMP Fc1ccccc1SCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150823915 432195179 /nfs/dbraw/zinc/19/51/79/432195179.db2.gz XJFADCBWCUHMNI-OAHLLOKOSA-N 2 1 308.466 3.336 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000247039430 432195594 /nfs/dbraw/zinc/19/55/94/432195594.db2.gz MQFAPPXLHQTJPF-AZUAARDMSA-N 2 1 318.505 3.346 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000247097335 432201093 /nfs/dbraw/zinc/20/10/93/432201093.db2.gz PUXFVDKOTKNICK-CVYSASLGSA-N 2 1 316.489 3.473 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000247085889 432200566 /nfs/dbraw/zinc/20/05/66/432200566.db2.gz RGWIQZCSVHZQDM-ZACQAIPSSA-N 2 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085889 432200572 /nfs/dbraw/zinc/20/05/72/432200572.db2.gz RGWIQZCSVHZQDM-ZACQAIPSSA-N 2 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085889 432200577 /nfs/dbraw/zinc/20/05/77/432200577.db2.gz RGWIQZCSVHZQDM-ZACQAIPSSA-N 2 1 321.534 3.032 20 0 DGADMP CSC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000150996456 432209147 /nfs/dbraw/zinc/20/91/47/432209147.db2.gz NAKRNLFOYKBHNI-CQSZACIVSA-N 2 1 310.482 3.174 20 0 DGADMP Cc1ncsc1CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000172432025 432214902 /nfs/dbraw/zinc/21/49/02/432214902.db2.gz NGZDBEOPKYAQEX-KRWDZBQOSA-N 2 1 321.534 3.438 20 0 DGADMP CO[C@H]1CC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000190941643 432204120 /nfs/dbraw/zinc/20/41/20/432204120.db2.gz RPPMCPKDUQKNJW-ROUUACIJSA-N 2 1 304.478 3.302 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000131397024 196165026 /nfs/dbraw/zinc/16/50/26/196165026.db2.gz CFJHNWNFFNNOPA-QGZVFWFLSA-N 2 1 306.450 3.230 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000151094182 432217757 /nfs/dbraw/zinc/21/77/57/432217757.db2.gz RFUSMKBGRPXOBR-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000151108091 432219659 /nfs/dbraw/zinc/21/96/59/432219659.db2.gz UOMDUDKHBKSXEG-DLBZAZTESA-N 2 1 320.477 3.094 20 0 DGADMP c1ccc2sc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000269922973 432222554 /nfs/dbraw/zinc/22/25/54/432222554.db2.gz AXPPZFFRLHLHNS-UONOGXRCSA-N 2 1 301.459 3.055 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131614722 196184628 /nfs/dbraw/zinc/18/46/28/196184628.db2.gz SSFBKEIMXZUNDO-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131614722 196184630 /nfs/dbraw/zinc/18/46/30/196184630.db2.gz SSFBKEIMXZUNDO-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1Br)C[NH+]1CCCCC1 ZINC000132501874 196261073 /nfs/dbraw/zinc/26/10/73/196261073.db2.gz LDQGZVYVRSQWRP-LBPRGKRZSA-N 2 1 312.255 3.378 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000248602203 287275392 /nfs/dbraw/zinc/27/53/92/287275392.db2.gz VJJRPRPNPICIMZ-CEXWTWQISA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000248602203 287275394 /nfs/dbraw/zinc/27/53/94/287275394.db2.gz VJJRPRPNPICIMZ-CEXWTWQISA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000248602203 287275396 /nfs/dbraw/zinc/27/53/96/287275396.db2.gz VJJRPRPNPICIMZ-CEXWTWQISA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000248602203 287275397 /nfs/dbraw/zinc/27/53/97/287275397.db2.gz VJJRPRPNPICIMZ-CEXWTWQISA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000291198659 222215617 /nfs/dbraw/zinc/21/56/17/222215617.db2.gz PYJMJJKOWQWGQU-MJGOQNOKSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000291198659 222215619 /nfs/dbraw/zinc/21/56/19/222215619.db2.gz PYJMJJKOWQWGQU-MJGOQNOKSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291254440 222261980 /nfs/dbraw/zinc/26/19/80/222261980.db2.gz WFVKOQUBWGQXLI-LFGUQSLTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291254440 222261984 /nfs/dbraw/zinc/26/19/84/222261984.db2.gz WFVKOQUBWGQXLI-LFGUQSLTSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000297592409 227343350 /nfs/dbraw/zinc/34/33/50/227343350.db2.gz JIMLBQXIAKNJOS-KRWDZBQOSA-N 2 1 308.853 3.244 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000299495809 229153279 /nfs/dbraw/zinc/15/32/79/229153279.db2.gz PZEUCSWKKSOOMR-UHFFFAOYSA-N 2 1 301.362 3.030 20 0 DGADMP c1cc2c(nc[nH+]c2NCc2ccccc2C[NH+]2CCCC2)[nH]1 ZINC000299700560 229344811 /nfs/dbraw/zinc/34/48/11/229344811.db2.gz XJEFURKNJQUHDL-UHFFFAOYSA-N 2 1 307.401 3.166 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000411317250 229764451 /nfs/dbraw/zinc/76/44/51/229764451.db2.gz NYRWVVUMZJRVEP-HXUWFJFHSA-N 2 1 314.473 3.285 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000192772874 263784774 /nfs/dbraw/zinc/78/47/74/263784774.db2.gz ZMTSHRZDIOCLLT-KRWDZBQOSA-N 2 1 319.493 3.221 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000319401095 263899368 /nfs/dbraw/zinc/89/93/68/263899368.db2.gz FQIMYROWFYPKGH-QXAKKESOSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000346348760 264015836 /nfs/dbraw/zinc/01/58/36/264015836.db2.gz YNCDBPYZCSMQGF-JFRXWTBNSA-N 2 1 307.526 3.102 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000346427105 264030838 /nfs/dbraw/zinc/03/08/38/264030838.db2.gz DSFTUYZXOXRVDN-CMTQZCSUSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000346427105 264030839 /nfs/dbraw/zinc/03/08/39/264030839.db2.gz DSFTUYZXOXRVDN-CMTQZCSUSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000346532154 264048654 /nfs/dbraw/zinc/04/86/54/264048654.db2.gz SUUZWRRMGKHDNP-UXPWSPDFSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000346532154 264048656 /nfs/dbraw/zinc/04/86/56/264048656.db2.gz SUUZWRRMGKHDNP-UXPWSPDFSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346635687 264070358 /nfs/dbraw/zinc/07/03/58/264070358.db2.gz HLVHSQDOIHENOU-GXTWGEPZSA-N 2 1 318.852 3.003 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCC(C)C ZINC000346648947 264072871 /nfs/dbraw/zinc/07/28/71/264072871.db2.gz GEMBLYTUKMKCLY-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346670704 264078003 /nfs/dbraw/zinc/07/80/03/264078003.db2.gz GUICSELLXBRQPG-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346684912 264079310 /nfs/dbraw/zinc/07/93/10/264079310.db2.gz SAGRBAFROYCVDE-JSGCOSHPSA-N 2 1 318.852 3.003 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@H]12 ZINC000346822959 264104059 /nfs/dbraw/zinc/10/40/59/264104059.db2.gz JISPVDZGLZKYAH-HHXXYDBFSA-N 2 1 311.404 3.057 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCC3CC3)C[C@@H]21 ZINC000346826678 264104807 /nfs/dbraw/zinc/10/48/07/264104807.db2.gz LZWXJWWAXMQJPB-BPQIPLTHSA-N 2 1 300.446 3.035 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@@H]21 ZINC000346829898 264105280 /nfs/dbraw/zinc/10/52/80/264105280.db2.gz OJVGKQPQIVBSSK-TUKIKUTGSA-N 2 1 319.499 3.431 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(OC(F)F)cc1C ZINC000346830225 264105529 /nfs/dbraw/zinc/10/55/29/264105529.db2.gz KFWNLOFGHVIKCT-CWRNSKLLSA-N 2 1 324.415 3.464 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC000346849413 264108000 /nfs/dbraw/zinc/10/80/00/264108000.db2.gz SFVZWBPLQYBMCY-USXIJHARSA-N 2 1 318.461 3.042 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346852720 264109391 /nfs/dbraw/zinc/10/93/91/264109391.db2.gz LDRIIIIDDPHFID-BBWFWOEESA-N 2 1 318.461 3.043 20 0 DGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346970951 264130064 /nfs/dbraw/zinc/13/00/64/264130064.db2.gz GOQDCGKOJYBKGM-HUUCEWRRSA-N 2 1 307.507 3.446 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347035215 264144602 /nfs/dbraw/zinc/14/46/02/264144602.db2.gz GELLKMVILABLMW-CHWSQXEVSA-N 2 1 316.367 3.187 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)s2)o1 ZINC000347035277 264144668 /nfs/dbraw/zinc/14/46/68/264144668.db2.gz GKXIBZJCXGYRNV-QWHCGFSZSA-N 2 1 305.447 3.271 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)s2)o1 ZINC000347035277 264144670 /nfs/dbraw/zinc/14/46/70/264144670.db2.gz GKXIBZJCXGYRNV-QWHCGFSZSA-N 2 1 305.447 3.271 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCC(C)C ZINC000347040514 264146114 /nfs/dbraw/zinc/14/61/14/264146114.db2.gz KOQGCKOWPDSYLN-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCC(C)C ZINC000347040514 264146115 /nfs/dbraw/zinc/14/61/15/264146115.db2.gz KOQGCKOWPDSYLN-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000347049680 264147536 /nfs/dbraw/zinc/14/75/36/264147536.db2.gz IFSWDVVIDJUJOW-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000347049680 264147539 /nfs/dbraw/zinc/14/75/39/264147539.db2.gz IFSWDVVIDJUJOW-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000347049680 264147541 /nfs/dbraw/zinc/14/75/41/264147541.db2.gz IFSWDVVIDJUJOW-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064752 264149536 /nfs/dbraw/zinc/14/95/36/264149536.db2.gz XONIJDOEFNHSPE-HOTGVXAUSA-N 2 1 305.466 3.012 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C1CC[NH2+]CC1 ZINC000347088476 264155017 /nfs/dbraw/zinc/15/50/17/264155017.db2.gz CSHKCCXYXZTIFX-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(OCCC)c1 ZINC000347110707 264158321 /nfs/dbraw/zinc/15/83/21/264158321.db2.gz NTYDUSTYBATYIP-INIZCTEOSA-N 2 1 320.477 3.435 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(OCCC)c1 ZINC000347110707 264158322 /nfs/dbraw/zinc/15/83/22/264158322.db2.gz NTYDUSTYBATYIP-INIZCTEOSA-N 2 1 320.477 3.435 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347200727 264174575 /nfs/dbraw/zinc/17/45/75/264174575.db2.gz JXQJVMYKEDPXPR-CYBMUJFWSA-N 2 1 318.852 3.162 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347200727 264174578 /nfs/dbraw/zinc/17/45/78/264174578.db2.gz JXQJVMYKEDPXPR-CYBMUJFWSA-N 2 1 318.852 3.162 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347202625 264174780 /nfs/dbraw/zinc/17/47/80/264174780.db2.gz KUCVAKQRIVBFGX-QGZVFWFLSA-N 2 1 320.477 3.291 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347202625 264174782 /nfs/dbraw/zinc/17/47/82/264174782.db2.gz KUCVAKQRIVBFGX-QGZVFWFLSA-N 2 1 320.477 3.291 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000347420769 264218419 /nfs/dbraw/zinc/21/84/19/264218419.db2.gz DKFQDCPCTOELIT-KRWDZBQOSA-N 2 1 321.852 3.338 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOCc2ccccc2)C[C@H]1C ZINC000347444289 264222229 /nfs/dbraw/zinc/22/22/29/264222229.db2.gz RUVIMFQNOHGNJY-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCc2ccccc2)C[C@H]1C ZINC000347444289 264222231 /nfs/dbraw/zinc/22/22/31/264222231.db2.gz RUVIMFQNOHGNJY-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCc2ccccc2)C[C@H]1C ZINC000347444289 264222232 /nfs/dbraw/zinc/22/22/32/264222232.db2.gz RUVIMFQNOHGNJY-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC[NH+]1CCCCC1 ZINC000347559552 264242053 /nfs/dbraw/zinc/24/20/53/264242053.db2.gz DSEQITYDCUODMY-RTBURBONSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000347666395 264263508 /nfs/dbraw/zinc/26/35/08/264263508.db2.gz NVKWQHAIJVGKDI-UHFFFAOYSA-N 2 1 320.477 3.318 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000347666395 264263511 /nfs/dbraw/zinc/26/35/11/264263511.db2.gz NVKWQHAIJVGKDI-UHFFFAOYSA-N 2 1 320.477 3.318 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC(=O)CC2)C1 ZINC000347742831 264277474 /nfs/dbraw/zinc/27/74/74/264277474.db2.gz QLINHAUXQHXJFE-SJLPKXTDSA-N 2 1 306.494 3.332 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928983 264308627 /nfs/dbraw/zinc/30/86/27/264308627.db2.gz JOGDFIAUNLLDEO-UKRRQHHQSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928983 264308629 /nfs/dbraw/zinc/30/86/29/264308629.db2.gz JOGDFIAUNLLDEO-UKRRQHHQSA-N 2 1 305.466 3.288 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348088664 264337504 /nfs/dbraw/zinc/33/75/04/264337504.db2.gz RSPBSPTWROLIHP-MCIONIFRSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348088664 264337506 /nfs/dbraw/zinc/33/75/06/264337506.db2.gz RSPBSPTWROLIHP-MCIONIFRSA-N 2 1 322.415 3.196 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000348106968 264341430 /nfs/dbraw/zinc/34/14/30/264341430.db2.gz PWMQSMCWXGQHMM-CABCVRRESA-N 2 1 323.456 3.392 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348113503 264343655 /nfs/dbraw/zinc/34/36/55/264343655.db2.gz XCSKMAWMKCRMRE-ILXRZTDVSA-N 2 1 322.415 3.341 20 0 DGADMP CCc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173372 264357783 /nfs/dbraw/zinc/35/77/83/264357783.db2.gz IZTILXUKLMSUSS-AZUAARDMSA-N 2 1 324.472 3.164 20 0 DGADMP CCc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173372 264357786 /nfs/dbraw/zinc/35/77/86/264357786.db2.gz IZTILXUKLMSUSS-AZUAARDMSA-N 2 1 324.472 3.164 20 0 DGADMP CC(C)OC1CC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348190633 264361114 /nfs/dbraw/zinc/36/11/14/264361114.db2.gz CSVKQJAIOYZJIG-HSFDUWRESA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348192583 264361952 /nfs/dbraw/zinc/36/19/52/264361952.db2.gz LYCUCTZPCDWETN-MJGOQNOKSA-N 2 1 316.489 3.039 20 0 DGADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(C)c1OC ZINC000348220310 264367743 /nfs/dbraw/zinc/36/77/43/264367743.db2.gz CDTKLNITRPAPEH-UHFFFAOYSA-N 2 1 318.461 3.072 20 0 DGADMP COCCCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000348325225 264390430 /nfs/dbraw/zinc/39/04/30/264390430.db2.gz QKTXBEFNGBSMTK-SFHVURJKSA-N 2 1 301.434 3.339 20 0 DGADMP C[C@@H](F)CC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000352377799 265023776 /nfs/dbraw/zinc/02/37/76/265023776.db2.gz YZXGHNQUVKRPFU-KGLIPLIRSA-N 2 1 311.470 3.178 20 0 DGADMP C[C@@H](F)CC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000352377799 265023778 /nfs/dbraw/zinc/02/37/78/265023778.db2.gz YZXGHNQUVKRPFU-KGLIPLIRSA-N 2 1 311.470 3.178 20 0 DGADMP C[C@H](F)CC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000352377794 265023889 /nfs/dbraw/zinc/02/38/89/265023889.db2.gz YZXGHNQUVKRPFU-KBPBESRZSA-N 2 1 311.470 3.178 20 0 DGADMP C[C@H](F)CC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000352377794 265023890 /nfs/dbraw/zinc/02/38/90/265023890.db2.gz YZXGHNQUVKRPFU-KBPBESRZSA-N 2 1 311.470 3.178 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@H]3CC[NH3+])cc2)n1 ZINC000352503008 265070903 /nfs/dbraw/zinc/07/09/03/265070903.db2.gz AWSZVUVLPSQCNA-SFHVURJKSA-N 2 1 312.461 3.192 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1nc(-c2cccs2)no1)CC1CCCC1 ZINC000352520018 265077002 /nfs/dbraw/zinc/07/70/02/265077002.db2.gz UNPSUBROYYMUGA-UHFFFAOYSA-N 2 1 320.462 3.139 20 0 DGADMP [NH3+]CCC[N@H+](Cc1nc(-c2cccs2)no1)CC1CCCC1 ZINC000352520018 265077006 /nfs/dbraw/zinc/07/70/06/265077006.db2.gz UNPSUBROYYMUGA-UHFFFAOYSA-N 2 1 320.462 3.139 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000352526956 265079779 /nfs/dbraw/zinc/07/97/79/265079779.db2.gz ULJQNJCZWKACNA-OAHLLOKOSA-N 2 1 303.381 3.184 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000352526956 265079782 /nfs/dbraw/zinc/07/97/82/265079782.db2.gz ULJQNJCZWKACNA-OAHLLOKOSA-N 2 1 303.381 3.184 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352527373 265081315 /nfs/dbraw/zinc/08/13/15/265081315.db2.gz ZLVASFRODWQXHT-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352527373 265081316 /nfs/dbraw/zinc/08/13/16/265081316.db2.gz ZLVASFRODWQXHT-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(SC)cc1OC ZINC000352546647 265084615 /nfs/dbraw/zinc/08/46/15/265084615.db2.gz YIRJPYKIAAIWAK-CQSZACIVSA-N 2 1 324.490 3.129 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(SC)cc1OC ZINC000352546647 265084617 /nfs/dbraw/zinc/08/46/17/265084617.db2.gz YIRJPYKIAAIWAK-CQSZACIVSA-N 2 1 324.490 3.129 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(O)c2OC)CC1 ZINC000352732216 265145439 /nfs/dbraw/zinc/14/54/39/265145439.db2.gz YLMNVVMPQIKDJS-UHFFFAOYSA-N 2 1 320.477 3.345 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCC2 ZINC000352771431 265159830 /nfs/dbraw/zinc/15/98/30/265159830.db2.gz OOGZMCGEQWZWRI-LSDHHAIUSA-N 2 1 323.506 3.032 20 0 DGADMP Cc1cccc(N2CCC([NH2+]C3CC(OC(C)(C)C)C3)CC2)[nH+]1 ZINC000352788495 265167850 /nfs/dbraw/zinc/16/78/50/265167850.db2.gz KKEOZWARAQGVNQ-UHFFFAOYSA-N 2 1 317.477 3.295 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000352803580 265172788 /nfs/dbraw/zinc/17/27/88/265172788.db2.gz BUKNDFNYSQWGAZ-BMFAXAFESA-N 2 1 307.526 3.102 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000352803580 265172789 /nfs/dbraw/zinc/17/27/89/265172789.db2.gz BUKNDFNYSQWGAZ-BMFAXAFESA-N 2 1 307.526 3.102 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352802576 265173538 /nfs/dbraw/zinc/17/35/38/265173538.db2.gz ULKHGCJHEKFMMR-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352802576 265173542 /nfs/dbraw/zinc/17/35/42/265173542.db2.gz ULKHGCJHEKFMMR-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP CSCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352826705 265182868 /nfs/dbraw/zinc/18/28/68/265182868.db2.gz SGAXWIXCZPEDSG-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CSCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352826705 265182872 /nfs/dbraw/zinc/18/28/72/265182872.db2.gz SGAXWIXCZPEDSG-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CSCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352826705 265182875 /nfs/dbraw/zinc/18/28/75/265182875.db2.gz SGAXWIXCZPEDSG-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CN1CC[C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931195 265235687 /nfs/dbraw/zinc/23/56/87/265235687.db2.gz NCGIPODRFCYKEA-AZUAARDMSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@@H+]1CC[C@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931195 265235688 /nfs/dbraw/zinc/23/56/88/265235688.db2.gz NCGIPODRFCYKEA-AZUAARDMSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931195 265235690 /nfs/dbraw/zinc/23/56/90/265235690.db2.gz NCGIPODRFCYKEA-AZUAARDMSA-N 2 1 307.441 3.275 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352967615 265249554 /nfs/dbraw/zinc/24/95/54/265249554.db2.gz MCUOHJNXSSMHLH-JYBIWHBTSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000353580744 265474677 /nfs/dbraw/zinc/47/46/77/265474677.db2.gz XNCUMWRDEWVEEX-ZIFCJYIRSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354425954 265769144 /nfs/dbraw/zinc/76/91/44/265769144.db2.gz HXDFCUTXGPLMHS-GFCCVEGCSA-N 2 1 320.462 3.133 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1coc2ccccc12 ZINC000355219768 266004314 /nfs/dbraw/zinc/00/43/14/266004314.db2.gz ZHZUTGMSSJWQJO-HHXXYDBFSA-N 2 1 314.429 3.116 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000355372930 266054976 /nfs/dbraw/zinc/05/49/76/266054976.db2.gz RBEKSHNWNSIRIX-INIZCTEOSA-N 2 1 320.440 3.423 20 0 DGADMP CC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)COC1 ZINC000355781736 266183566 /nfs/dbraw/zinc/18/35/66/266183566.db2.gz KSUGTUQBGOWREX-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)COC1 ZINC000355781736 266183570 /nfs/dbraw/zinc/18/35/70/266183570.db2.gz KSUGTUQBGOWREX-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)COC1 ZINC000355781736 266183574 /nfs/dbraw/zinc/18/35/74/266183574.db2.gz KSUGTUQBGOWREX-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP CCN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904428 266224264 /nfs/dbraw/zinc/22/42/64/266224264.db2.gz FGXIXBFIRSXDPP-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904428 266224266 /nfs/dbraw/zinc/22/42/66/266224266.db2.gz FGXIXBFIRSXDPP-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904428 266224268 /nfs/dbraw/zinc/22/42/68/266224268.db2.gz FGXIXBFIRSXDPP-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904428 266224271 /nfs/dbraw/zinc/22/42/71/266224271.db2.gz FGXIXBFIRSXDPP-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904428 266224273 /nfs/dbraw/zinc/22/42/73/266224273.db2.gz FGXIXBFIRSXDPP-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC000356255799 266333207 /nfs/dbraw/zinc/33/32/07/266333207.db2.gz JBSQGTRZWSFTLF-WSTZPKSXSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356255799 266333209 /nfs/dbraw/zinc/33/32/09/266333209.db2.gz JBSQGTRZWSFTLF-WSTZPKSXSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356255799 266333213 /nfs/dbraw/zinc/33/32/13/266333213.db2.gz JBSQGTRZWSFTLF-WSTZPKSXSA-N 2 1 317.521 3.215 20 0 DGADMP Cc1nccn1CCCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000356363066 266368099 /nfs/dbraw/zinc/36/80/99/266368099.db2.gz CQOUPFYUTOUEIP-SFHVURJKSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000356363066 266368104 /nfs/dbraw/zinc/36/81/04/266368104.db2.gz CQOUPFYUTOUEIP-SFHVURJKSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000356363066 266368107 /nfs/dbraw/zinc/36/81/07/266368107.db2.gz CQOUPFYUTOUEIP-SFHVURJKSA-N 2 1 313.445 3.373 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000270405673 432243214 /nfs/dbraw/zinc/24/32/14/432243214.db2.gz CZPZFNVATGLQTB-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000359897058 271011922 /nfs/dbraw/zinc/01/19/22/271011922.db2.gz KIOXOZHHUAEWGF-LMCOJAPRSA-N 2 1 316.489 3.444 20 0 DGADMP CCCOc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000359908188 271016425 /nfs/dbraw/zinc/01/64/25/271016425.db2.gz XNXLJLFBPSZDNA-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000367618358 271052880 /nfs/dbraw/zinc/05/28/80/271052880.db2.gz AXUBIWTXJZLQAT-IPMKNSEASA-N 2 1 313.445 3.132 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367697327 271066154 /nfs/dbraw/zinc/06/61/54/271066154.db2.gz KSRHSIZQZUCGJZ-PIKOESSRSA-N 2 1 316.489 3.159 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367997235 271110824 /nfs/dbraw/zinc/11/08/24/271110824.db2.gz LHIMVXZARFOYGM-XEZPLFJOSA-N 2 1 304.409 3.038 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000368022654 271116335 /nfs/dbraw/zinc/11/63/35/271116335.db2.gz PHQPJMPZBFKNSV-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000368686665 271193964 /nfs/dbraw/zinc/19/39/64/271193964.db2.gz HAMQYHGRAVOGDT-IBGZPJMESA-N 2 1 324.472 3.109 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000368686665 271193967 /nfs/dbraw/zinc/19/39/67/271193967.db2.gz HAMQYHGRAVOGDT-IBGZPJMESA-N 2 1 324.472 3.109 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000368769486 271205618 /nfs/dbraw/zinc/20/56/18/271205618.db2.gz ZYPBLDQKXLCKJG-IXDOHACOSA-N 2 1 324.415 3.308 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000368769487 271205720 /nfs/dbraw/zinc/20/57/20/271205720.db2.gz ZYPBLDQKXLCKJG-ZACQAIPSSA-N 2 1 324.415 3.308 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cnn3ccccc23)C1 ZINC000369035084 271234091 /nfs/dbraw/zinc/23/40/91/271234091.db2.gz CSWHMAHBWJNCDU-VQIMIIECSA-N 2 1 320.440 3.259 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cnn3ccccc23)C1 ZINC000369035084 271234094 /nfs/dbraw/zinc/23/40/94/271234094.db2.gz CSWHMAHBWJNCDU-VQIMIIECSA-N 2 1 320.440 3.259 20 0 DGADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1C ZINC000369722270 271313113 /nfs/dbraw/zinc/31/31/13/271313113.db2.gz RDOUYCMKCPWEHB-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CC(C)c1nc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000370502572 271365801 /nfs/dbraw/zinc/36/58/01/271365801.db2.gz GUKNYSYLLCVEIC-INIZCTEOSA-N 2 1 320.481 3.247 20 0 DGADMP CC(C)c1nc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000370502572 271365802 /nfs/dbraw/zinc/36/58/02/271365802.db2.gz GUKNYSYLLCVEIC-INIZCTEOSA-N 2 1 320.481 3.247 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247883329 432252279 /nfs/dbraw/zinc/25/22/79/432252279.db2.gz CENJLHVIWSXUMJ-FXAWDEMLSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247883329 432252282 /nfs/dbraw/zinc/25/22/82/432252282.db2.gz CENJLHVIWSXUMJ-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247883329 432252286 /nfs/dbraw/zinc/25/22/86/432252286.db2.gz CENJLHVIWSXUMJ-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)[C@@H](C)C1 ZINC000247883329 432252287 /nfs/dbraw/zinc/25/22/87/432252287.db2.gz CENJLHVIWSXUMJ-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247927059 432254421 /nfs/dbraw/zinc/25/44/21/432254421.db2.gz BRJSTVHWMFNMLG-ROUUACIJSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927059 432254424 /nfs/dbraw/zinc/25/44/24/432254424.db2.gz BRJSTVHWMFNMLG-ROUUACIJSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927059 432254427 /nfs/dbraw/zinc/25/44/27/432254427.db2.gz BRJSTVHWMFNMLG-ROUUACIJSA-N 2 1 302.462 3.098 20 0 DGADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000247968027 432256675 /nfs/dbraw/zinc/25/66/75/432256675.db2.gz HAFXDZSZLNWCFP-RDJZCZTQSA-N 2 1 320.477 3.099 20 0 DGADMP CCOc1cc(C[N@H+](CC)CCC[NH+]2CCCC2)ccc1O ZINC000270557969 432257774 /nfs/dbraw/zinc/25/77/74/432257774.db2.gz WNTRFAPBGDURAS-UHFFFAOYSA-N 2 1 306.450 3.099 20 0 DGADMP CCOc1cc(C[N@@H+](CC)CCC[NH+]2CCCC2)ccc1O ZINC000270557969 432257776 /nfs/dbraw/zinc/25/77/76/432257776.db2.gz WNTRFAPBGDURAS-UHFFFAOYSA-N 2 1 306.450 3.099 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCCC1)CCS2 ZINC000423174287 274135366 /nfs/dbraw/zinc/13/53/66/274135366.db2.gz ABEADIBGUAATKW-OAHLLOKOSA-N 2 1 306.475 3.483 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000279035163 274136069 /nfs/dbraw/zinc/13/60/69/274136069.db2.gz WPSPZYQRGSAQTR-KBXCAEBGSA-N 2 1 311.429 3.121 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000268819649 274136539 /nfs/dbraw/zinc/13/65/39/274136539.db2.gz NTRUDQCFBOCVPI-AUUYWEPGSA-N 2 1 300.446 3.147 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)CCS2 ZINC000423499221 274138709 /nfs/dbraw/zinc/13/87/09/274138709.db2.gz IZCYGCPKAXDYTO-HZPDHXFCSA-N 2 1 306.475 3.339 20 0 DGADMP CS[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1[NH+](C)C ZINC000340740910 274186970 /nfs/dbraw/zinc/18/69/70/274186970.db2.gz IODBHOYZUWMZMZ-HOTGVXAUSA-N 2 1 321.877 3.370 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000272614996 274355145 /nfs/dbraw/zinc/35/51/45/274355145.db2.gz WZTUJMADNKOOEI-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]1 ZINC000423378466 274393652 /nfs/dbraw/zinc/39/36/52/274393652.db2.gz LCMJJNNHXLMYIJ-IFUGULHKSA-N 2 1 313.367 3.208 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]1 ZINC000423378465 274407432 /nfs/dbraw/zinc/40/74/32/274407432.db2.gz LCMJJNNHXLMYIJ-HCKVZZMMSA-N 2 1 313.367 3.208 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247980641 432259502 /nfs/dbraw/zinc/25/95/02/432259502.db2.gz MLPYVDVWEPNRTB-SCTDSRPQSA-N 2 1 304.478 3.474 20 0 DGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCC2 ZINC000423489813 274882512 /nfs/dbraw/zinc/88/25/12/274882512.db2.gz GZZRWJGDQYXEBA-DOTOQJQBSA-N 2 1 308.853 3.076 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCC1 ZINC000423317118 274942731 /nfs/dbraw/zinc/94/27/31/274942731.db2.gz CGEHRUNWBMXRDA-ZDUSSCGKSA-N 2 1 313.214 3.047 20 0 DGADMP C(C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000425545377 275390469 /nfs/dbraw/zinc/39/04/69/275390469.db2.gz DEFSPUHIMMCEIG-SFHVURJKSA-N 2 1 306.494 3.144 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423162834 276028638 /nfs/dbraw/zinc/02/86/38/276028638.db2.gz QIXQCTOXYDQFRO-NNIGNNQHSA-N 2 1 308.510 3.340 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000090775275 276216761 /nfs/dbraw/zinc/21/67/61/276216761.db2.gz NXTFZOMEQNYNMT-YNIZLOQISA-N 3 1 321.553 3.349 20 0 DGADMP CCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000090775275 276216763 /nfs/dbraw/zinc/21/67/63/276216763.db2.gz NXTFZOMEQNYNMT-YNIZLOQISA-N 2 1 321.553 3.349 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422739490 276308494 /nfs/dbraw/zinc/30/84/94/276308494.db2.gz LMDLIEKKBLVOPV-WOJBJXKFSA-N 2 1 309.457 3.373 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422739490 276308495 /nfs/dbraw/zinc/30/84/95/276308495.db2.gz LMDLIEKKBLVOPV-WOJBJXKFSA-N 3 1 309.457 3.373 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422739490 276308496 /nfs/dbraw/zinc/30/84/96/276308496.db2.gz LMDLIEKKBLVOPV-WOJBJXKFSA-N 3 1 309.457 3.373 20 0 DGADMP CCCCNc1cc(C)[nH+]c(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000631085226 429974943 /nfs/dbraw/zinc/97/49/43/429974943.db2.gz DDPUIHGBTVNENF-UHFFFAOYSA-N 2 1 314.437 3.104 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000453104116 277051526 /nfs/dbraw/zinc/05/15/26/277051526.db2.gz SWUAOOWSDHOEKY-SFHVURJKSA-N 2 1 307.526 3.107 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437064 277086551 /nfs/dbraw/zinc/08/65/51/277086551.db2.gz DDVHHBGPLAHYDB-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437064 277086552 /nfs/dbraw/zinc/08/65/52/277086552.db2.gz DDVHHBGPLAHYDB-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437064 277086554 /nfs/dbraw/zinc/08/65/54/277086554.db2.gz DDVHHBGPLAHYDB-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437064 277086555 /nfs/dbraw/zinc/08/65/55/277086555.db2.gz DDVHHBGPLAHYDB-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000290039612 277277186 /nfs/dbraw/zinc/27/71/86/277277186.db2.gz DJQSLLLEZWVASL-JLJREYHVSA-N 2 1 304.478 3.443 20 0 DGADMP CO[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000090173215 277281025 /nfs/dbraw/zinc/28/10/25/277281025.db2.gz SUXIYMYMISCGMX-GFOFROLCSA-N 2 1 310.869 3.346 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000268868305 277332433 /nfs/dbraw/zinc/33/24/33/277332433.db2.gz GYGDFFJAQWZKMZ-WRFANHODSA-N 2 1 310.869 3.346 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422999145 277397513 /nfs/dbraw/zinc/39/75/13/277397513.db2.gz RYNJRFNRMUYYIQ-QRVBRYPASA-N 2 1 309.542 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422999145 277397514 /nfs/dbraw/zinc/39/75/14/277397514.db2.gz RYNJRFNRMUYYIQ-QRVBRYPASA-N 3 1 309.542 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422999145 277397515 /nfs/dbraw/zinc/39/75/15/277397515.db2.gz RYNJRFNRMUYYIQ-QRVBRYPASA-N 3 1 309.542 3.255 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422737844 278046852 /nfs/dbraw/zinc/04/68/52/278046852.db2.gz HTMBHYZYWSKWNK-DOTOQJQBSA-N 2 1 302.462 3.237 20 0 DGADMP C[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000422825026 278233372 /nfs/dbraw/zinc/23/33/72/278233372.db2.gz OXMHYANHUFQEKU-MUYFXNHWSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000422825026 278233373 /nfs/dbraw/zinc/23/33/73/278233373.db2.gz OXMHYANHUFQEKU-MUYFXNHWSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@@H]([NH2+]C1(Cc2ccccc2Br)CC1)[C@@H]1CCC[NH2+]1 ZINC000423125085 278333427 /nfs/dbraw/zinc/33/34/27/278333427.db2.gz HKYRCLLMCPCKBN-DOMZBBRYSA-N 2 1 323.278 3.254 20 0 DGADMP C[C@@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C1C[NH2+]C1 ZINC000423030279 278367040 /nfs/dbraw/zinc/36/70/40/278367040.db2.gz VYDWXRMVSQSBSD-ACJLOTCBSA-N 2 1 315.848 3.216 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000295259632 279040626 /nfs/dbraw/zinc/04/06/26/279040626.db2.gz UYGIDWOHRHVOQF-GOSISDBHSA-N 2 1 302.462 3.330 20 0 DGADMP CC(C)Cc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423120795 279244278 /nfs/dbraw/zinc/24/42/78/279244278.db2.gz HQHYWATYZMYEJE-GJYPPUQNSA-N 2 1 305.510 3.203 20 0 DGADMP Clc1ccc([C@@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178974160 279292453 /nfs/dbraw/zinc/29/24/53/279292453.db2.gz ATXJXAXFIKVTOS-INIZCTEOSA-N 2 1 310.894 3.430 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414663889 279322428 /nfs/dbraw/zinc/32/24/28/279322428.db2.gz SEPJFGHVOOHIOK-FRRDWIJNSA-N 2 1 300.368 3.478 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423122183 279508934 /nfs/dbraw/zinc/50/89/34/279508934.db2.gz JNSRIKMABLJDAZ-DSLXNQLJSA-N 2 1 324.472 3.444 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111695447 431233116 /nfs/dbraw/zinc/23/31/16/431233116.db2.gz LFULCMSYOYZZGK-DGCLKSJQSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1OCCc2sccc21 ZINC000423130124 279526629 /nfs/dbraw/zinc/52/66/29/279526629.db2.gz MKFIRLCIVSTSDD-QXHJTNOSSA-N 2 1 314.454 3.485 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000474924358 279526695 /nfs/dbraw/zinc/52/66/95/279526695.db2.gz KKRLCIHZOGVEQJ-LRYGQEGESA-N 2 1 324.509 3.353 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170491 431243256 /nfs/dbraw/zinc/24/32/56/431243256.db2.gz BELMSWCGOPEALM-CYBMUJFWSA-N 2 1 305.447 3.272 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000076003226 431513311 /nfs/dbraw/zinc/51/33/11/431513311.db2.gz WRDXOOGKDRUKTK-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000076003226 431513319 /nfs/dbraw/zinc/51/33/19/431513319.db2.gz WRDXOOGKDRUKTK-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000423209728 280189575 /nfs/dbraw/zinc/18/95/75/280189575.db2.gz JKHRFBAMTNFBSJ-IUODEOHRSA-N 2 1 311.267 3.489 20 0 DGADMP CCn1nccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000118955564 431626444 /nfs/dbraw/zinc/62/64/44/431626444.db2.gz BDSKXQFZIKZTRV-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119437947 431690995 /nfs/dbraw/zinc/69/09/95/431690995.db2.gz UMLJVEYJELDWMF-CQSZACIVSA-N 2 1 305.397 3.273 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccncc2)CC1 ZINC000078801948 431709681 /nfs/dbraw/zinc/70/96/81/431709681.db2.gz AMOUZIHAQLTSTB-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000079914937 431750267 /nfs/dbraw/zinc/75/02/67/431750267.db2.gz ORNCMEQSTLPEEG-LJQANCHMSA-N 2 1 322.468 3.303 20 0 DGADMP OCC[NH+]1CCC(CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000031562069 431762368 /nfs/dbraw/zinc/76/23/68/431762368.db2.gz RPTRFRHMUDHZGK-UHFFFAOYSA-N 2 1 319.836 3.004 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(OC)c1 ZINC000121504210 431794713 /nfs/dbraw/zinc/79/47/13/431794713.db2.gz CGGCVPVSHJANCO-UONOGXRCSA-N 2 1 317.433 3.196 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)([NH+](C)C)C1 ZINC000121390018 431780598 /nfs/dbraw/zinc/78/05/98/431780598.db2.gz BGMVVQKCVUCEAP-WKULXVSPSA-N 2 1 306.494 3.044 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000121409148 431782917 /nfs/dbraw/zinc/78/29/17/431782917.db2.gz RZVFXNMXVNSNRV-UONOGXRCSA-N 2 1 314.433 3.137 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122849013 431846140 /nfs/dbraw/zinc/84/61/40/431846140.db2.gz VMRKHSNXHUHTTK-IBGZPJMESA-N 2 1 300.446 3.289 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000037643902 431848375 /nfs/dbraw/zinc/84/83/75/431848375.db2.gz BQYRWLCGWDDENI-STQMWFEESA-N 2 1 311.267 3.442 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000037643901 431848948 /nfs/dbraw/zinc/84/89/48/431848948.db2.gz BQYRWLCGWDDENI-QWHCGFSZSA-N 2 1 311.267 3.442 20 0 DGADMP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000088549887 431858621 /nfs/dbraw/zinc/85/86/21/431858621.db2.gz WHFSODMUDGUWRN-INIZCTEOSA-N 2 1 316.445 3.426 20 0 DGADMP c1ccc(C[NH+](CCC[NH2+][C@H]2CCOC2)Cc2ccccc2)cc1 ZINC000088739162 431859637 /nfs/dbraw/zinc/85/96/37/431859637.db2.gz HXSWIKKHDOGQPB-NRFANRHFSA-N 2 1 324.468 3.457 20 0 DGADMP CC(C)CCc1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123485331 431866564 /nfs/dbraw/zinc/86/65/64/431866564.db2.gz VMNFVIKVIANECZ-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP C[C@H](CCc1ccco1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594100 431871480 /nfs/dbraw/zinc/87/14/80/431871480.db2.gz ZDZQJIPQAKGTDT-QGZVFWFLSA-N 2 1 320.477 3.225 20 0 DGADMP C[N@H+](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000092565214 431909517 /nfs/dbraw/zinc/90/95/17/431909517.db2.gz WHACYGVSSGKDLF-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP C[N@@H+](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000092565214 431909519 /nfs/dbraw/zinc/90/95/19/431909519.db2.gz WHACYGVSSGKDLF-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)N(C)C ZINC000125028036 431911642 /nfs/dbraw/zinc/91/16/42/431911642.db2.gz UVHBRABYVRRGNJ-HNNXBMFYSA-N 2 1 300.406 3.109 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000125162276 431916117 /nfs/dbraw/zinc/91/61/17/431916117.db2.gz HWKJHDMZFULKDZ-QFBILLFUSA-N 2 1 304.478 3.473 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000125213617 431917796 /nfs/dbraw/zinc/91/77/96/431917796.db2.gz IPOHHRUXFCSLPI-HNAYVOBHSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000094970029 431920266 /nfs/dbraw/zinc/92/02/66/431920266.db2.gz OLUXIQMUXPCXIE-AWEZNQCLSA-N 2 1 307.507 3.405 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124346121 431890518 /nfs/dbraw/zinc/89/05/18/431890518.db2.gz OLHNVZDMGDMZEV-RDJZCZTQSA-N 2 1 302.462 3.090 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124352836 431892002 /nfs/dbraw/zinc/89/20/02/431892002.db2.gz RDHUYNXGOUWPIS-OLZOCXBDSA-N 2 1 310.388 3.423 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000125450186 431925732 /nfs/dbraw/zinc/92/57/32/431925732.db2.gz NSOKSTVRTUTNLP-WBVHZDCISA-N 3 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCN1C ZINC000125450186 431925733 /nfs/dbraw/zinc/92/57/33/431925733.db2.gz NSOKSTVRTUTNLP-WBVHZDCISA-N 2 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090948927 431898626 /nfs/dbraw/zinc/89/86/26/431898626.db2.gz JEWHXHKMPKLMPF-UMVBOHGHSA-N 2 1 309.523 3.301 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090948925 431899003 /nfs/dbraw/zinc/89/90/03/431899003.db2.gz JEWHXHKMPKLMPF-IPYPFGDCSA-N 2 1 309.523 3.301 20 0 DGADMP C[NH+]1CCC([NH2+]CCc2cccc(OCc3ccccc3)c2)CC1 ZINC000090953727 431899045 /nfs/dbraw/zinc/89/90/45/431899045.db2.gz IUUCBWOPHBKCTC-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000124733722 431902755 /nfs/dbraw/zinc/90/27/55/431902755.db2.gz QJLZSYJLYYMBHS-MRXNPFEDSA-N 2 1 319.474 3.324 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000124733722 431902757 /nfs/dbraw/zinc/90/27/57/431902757.db2.gz QJLZSYJLYYMBHS-MRXNPFEDSA-N 2 1 319.474 3.324 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126725434 431956657 /nfs/dbraw/zinc/95/66/57/431956657.db2.gz NDDRIHCRBNLRAG-DFNIBXOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126725434 431956659 /nfs/dbraw/zinc/95/66/59/431956659.db2.gz NDDRIHCRBNLRAG-DFNIBXOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126725434 431956660 /nfs/dbraw/zinc/95/66/60/431956660.db2.gz NDDRIHCRBNLRAG-DFNIBXOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126725434 431956662 /nfs/dbraw/zinc/95/66/62/431956662.db2.gz NDDRIHCRBNLRAG-DFNIBXOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126725434 431956663 /nfs/dbraw/zinc/95/66/63/431956663.db2.gz NDDRIHCRBNLRAG-DFNIBXOVSA-N 2 1 316.489 3.132 20 0 DGADMP CC(C)[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000127026764 431962860 /nfs/dbraw/zinc/96/28/60/431962860.db2.gz KNVQSOWDJJUBPT-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697955 281217993 /nfs/dbraw/zinc/21/79/93/281217993.db2.gz JAYZNCXQUZVHDL-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697955 281217995 /nfs/dbraw/zinc/21/79/95/281217995.db2.gz JAYZNCXQUZVHDL-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697955 281217996 /nfs/dbraw/zinc/21/79/96/281217996.db2.gz JAYZNCXQUZVHDL-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697955 281217997 /nfs/dbraw/zinc/21/79/97/281217997.db2.gz JAYZNCXQUZVHDL-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(O)CCC(C)CC1 ZINC000191515014 432272627 /nfs/dbraw/zinc/27/26/27/432272627.db2.gz YAQIGVHCEVBGLZ-UHFFFAOYSA-N 2 1 307.482 3.099 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(O)CCC(C)CC1 ZINC000191515014 432272631 /nfs/dbraw/zinc/27/26/31/432272631.db2.gz YAQIGVHCEVBGLZ-UHFFFAOYSA-N 2 1 307.482 3.099 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000152080131 432303218 /nfs/dbraw/zinc/30/32/18/432303218.db2.gz UQYIVARFMVNXTQ-IIDMSEBBSA-N 2 1 308.441 3.303 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248173119 432273434 /nfs/dbraw/zinc/27/34/34/432273434.db2.gz VCMRRKQJNYVNFD-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248172190 432273989 /nfs/dbraw/zinc/27/39/89/432273989.db2.gz UZSRPVVCTQOHJZ-ROUUACIJSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248450949 432292186 /nfs/dbraw/zinc/29/21/86/432292186.db2.gz PGCNRZHVRNXMKU-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000183514221 432298547 /nfs/dbraw/zinc/29/85/47/432298547.db2.gz NKXRFGNPZXBXQN-WBQNTZJQSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000183514221 432298549 /nfs/dbraw/zinc/29/85/49/432298549.db2.gz NKXRFGNPZXBXQN-WBQNTZJQSA-N 2 1 308.853 3.242 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781927 432299545 /nfs/dbraw/zinc/29/95/45/432299545.db2.gz PFRRPZYIXOYZEX-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248058740 432266388 /nfs/dbraw/zinc/26/63/88/432266388.db2.gz XUFJZKYMKLMMRN-IIDMSEBBSA-N 2 1 314.477 3.053 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCOC2)C3)cc1 ZINC000248761651 432318261 /nfs/dbraw/zinc/31/82/61/432318261.db2.gz DQSCUJUFICWLRN-HAGHYFMRSA-N 2 1 314.473 3.198 20 0 DGADMP CCN(C)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000249711257 432354993 /nfs/dbraw/zinc/35/49/93/432354993.db2.gz YHCNLEVLHQIHTG-QGZVFWFLSA-N 2 1 318.509 3.282 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248823246 432321052 /nfs/dbraw/zinc/32/10/52/432321052.db2.gz GEKZHWBJYZOTOF-ICSRJNTNSA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823246 432321055 /nfs/dbraw/zinc/32/10/55/432321055.db2.gz GEKZHWBJYZOTOF-ICSRJNTNSA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823246 432321059 /nfs/dbraw/zinc/32/10/59/432321059.db2.gz GEKZHWBJYZOTOF-ICSRJNTNSA-N 2 1 324.472 3.097 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248827302 432322465 /nfs/dbraw/zinc/32/24/65/432322465.db2.gz GPDGILANYMNBSI-OOKSDGMUSA-N 3 1 307.526 3.102 20 0 DGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248827302 432322471 /nfs/dbraw/zinc/32/24/71/432322471.db2.gz GPDGILANYMNBSI-OOKSDGMUSA-N 3 1 307.526 3.102 20 0 DGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248827302 432322475 /nfs/dbraw/zinc/32/24/75/432322475.db2.gz GPDGILANYMNBSI-OOKSDGMUSA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183914268 432333365 /nfs/dbraw/zinc/33/33/65/432333365.db2.gz JXPLZOIJOZLPJY-HOTGVXAUSA-N 2 1 312.498 3.064 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192131436 432335283 /nfs/dbraw/zinc/33/52/83/432335283.db2.gz AZOHBBZJLVEAQQ-IAGOWNOFSA-N 2 1 312.404 3.116 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249052821 432336475 /nfs/dbraw/zinc/33/64/75/432336475.db2.gz XXZJDIBSALBHLO-WKWVNEEDSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249093230 432338536 /nfs/dbraw/zinc/33/85/36/432338536.db2.gz LCFUYPYFRYUIPA-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCOCC1 ZINC000174451142 432349719 /nfs/dbraw/zinc/34/97/19/432349719.db2.gz YUMZVNDIQNYZMC-UHFFFAOYSA-N 2 1 314.429 3.180 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173870807 432304562 /nfs/dbraw/zinc/30/45/62/432304562.db2.gz QTNZPHLAKRZCSM-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173870807 432304566 /nfs/dbraw/zinc/30/45/66/432304566.db2.gz QTNZPHLAKRZCSM-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248604214 432305333 /nfs/dbraw/zinc/30/53/33/432305333.db2.gz VBIFONJRKKOASP-ZWKOTPCHSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248604214 432305335 /nfs/dbraw/zinc/30/53/35/432305335.db2.gz VBIFONJRKKOASP-ZWKOTPCHSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248604214 432305340 /nfs/dbraw/zinc/30/53/40/432305340.db2.gz VBIFONJRKKOASP-ZWKOTPCHSA-N 2 1 302.462 3.044 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270937618 432306038 /nfs/dbraw/zinc/30/60/38/432306038.db2.gz XZMFLKOXHPAKSL-DLBZAZTESA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270937618 432306042 /nfs/dbraw/zinc/30/60/42/432306042.db2.gz XZMFLKOXHPAKSL-DLBZAZTESA-N 2 1 317.433 3.153 20 0 DGADMP C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832708 432306775 /nfs/dbraw/zinc/30/67/75/432306775.db2.gz VIUGWOGMBFJGIX-VQIMIIECSA-N 2 1 314.429 3.221 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832708 432306780 /nfs/dbraw/zinc/30/67/80/432306780.db2.gz VIUGWOGMBFJGIX-VQIMIIECSA-N 2 1 314.429 3.221 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000248720516 432314680 /nfs/dbraw/zinc/31/46/80/432314680.db2.gz CHOVCVRUCZBRHO-WZGPROSRSA-N 2 1 302.462 3.227 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C(=O)OC)CC1)CC(C)C ZINC000192438829 432374373 /nfs/dbraw/zinc/37/43/73/432374373.db2.gz AVFUFJKFIJNVEH-JCYILVPMSA-N 2 1 312.498 3.064 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000192626492 432395004 /nfs/dbraw/zinc/39/50/04/432395004.db2.gz CYMVIOFWGFPADW-AGUYFDCRSA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000192626492 432395006 /nfs/dbraw/zinc/39/50/06/432395006.db2.gz CYMVIOFWGFPADW-AGUYFDCRSA-N 2 1 314.351 3.300 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000271447721 432396808 /nfs/dbraw/zinc/39/68/08/432396808.db2.gz DDYQCHHGDANMLF-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000271447721 432396813 /nfs/dbraw/zinc/39/68/13/432396813.db2.gz DDYQCHHGDANMLF-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000192925012 432428430 /nfs/dbraw/zinc/42/84/30/432428430.db2.gz VDPTZVCALUGQGH-INIZCTEOSA-N 2 1 318.461 3.375 20 0 DGADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559245 432429872 /nfs/dbraw/zinc/42/98/72/432429872.db2.gz SYPXBYLQGSABII-DUXKGJEZSA-N 2 1 321.468 3.243 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261556675 432430982 /nfs/dbraw/zinc/43/09/82/432430982.db2.gz CDIYKRGIIPZAGZ-OICBVUGWSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261544571 432431417 /nfs/dbraw/zinc/43/14/17/432431417.db2.gz JAYZWSMSDJPSIL-VQIMIIECSA-N 2 1 310.441 3.435 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@H]1CCOC1 ZINC000153724019 432436101 /nfs/dbraw/zinc/43/61/01/432436101.db2.gz OQNAEVFDFGJFCA-RDJZCZTQSA-N 2 1 317.408 3.225 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261917268 432459447 /nfs/dbraw/zinc/45/94/47/432459447.db2.gz JZPJTUBTWBCSOC-DOTOQJQBSA-N 2 1 310.445 3.019 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000153803969 432444326 /nfs/dbraw/zinc/44/43/26/432444326.db2.gz XQTALJUABJRQCN-GSEOLPGOSA-N 2 1 316.489 3.474 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193124493 432452960 /nfs/dbraw/zinc/45/29/60/432452960.db2.gz RRLRUCCZEXPBIV-UHFFFAOYSA-N 2 1 316.430 3.478 20 0 DGADMP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000261823017 432452988 /nfs/dbraw/zinc/45/29/88/432452988.db2.gz IMAYZBCJYUZKLJ-SJORKVTESA-N 2 1 317.477 3.034 20 0 DGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000261823017 432452990 /nfs/dbraw/zinc/45/29/90/432452990.db2.gz IMAYZBCJYUZKLJ-SJORKVTESA-N 2 1 317.477 3.034 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)s2)cc1 ZINC000261812999 432453103 /nfs/dbraw/zinc/45/31/03/432453103.db2.gz WZDMPAQRLLSLTG-QGZVFWFLSA-N 2 1 301.459 3.289 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@](C)(C[NH3+])C3)s2)cc1 ZINC000261812999 432453106 /nfs/dbraw/zinc/45/31/06/432453106.db2.gz WZDMPAQRLLSLTG-QGZVFWFLSA-N 2 1 301.459 3.289 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC(C)(C)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000193140653 432453903 /nfs/dbraw/zinc/45/39/03/432453903.db2.gz YXPXHRYQXSOJOP-CXAGYDPISA-N 2 1 316.493 3.477 20 0 DGADMP CCC[C@]1(C)CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192750548 432408753 /nfs/dbraw/zinc/40/87/53/432408753.db2.gz SMXURHRJSDYDKP-LJQANCHMSA-N 2 1 309.542 3.305 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000184587798 432409933 /nfs/dbraw/zinc/40/99/33/432409933.db2.gz PXVPXKXFFBWUFN-CZAAIQMYSA-N 2 1 324.468 3.459 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000153621048 432426159 /nfs/dbraw/zinc/42/61/59/432426159.db2.gz FSUXTVSOEDFJQP-MJGOQNOKSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262398038 432485023 /nfs/dbraw/zinc/48/50/23/432485023.db2.gz CAJXKIZUAZHYNG-XBFCOCLRSA-N 2 1 314.351 3.188 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1C(C)C ZINC000262458952 432486463 /nfs/dbraw/zinc/48/64/63/432486463.db2.gz IKLAESCRNWDANW-IBGZPJMESA-N 2 1 302.462 3.183 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272352170 432487668 /nfs/dbraw/zinc/48/76/68/432487668.db2.gz DHVWUQYEWTXECA-ZHALLVOQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272352170 432487672 /nfs/dbraw/zinc/48/76/72/432487672.db2.gz DHVWUQYEWTXECA-ZHALLVOQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360297 432488654 /nfs/dbraw/zinc/48/86/54/432488654.db2.gz SCGBKRVEPMJUIO-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360297 432488657 /nfs/dbraw/zinc/48/86/57/432488657.db2.gz SCGBKRVEPMJUIO-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000272360297 432488660 /nfs/dbraw/zinc/48/86/60/432488660.db2.gz SCGBKRVEPMJUIO-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000272360297 432488664 /nfs/dbraw/zinc/48/86/64/432488664.db2.gz SCGBKRVEPMJUIO-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]21 ZINC000262572416 432491955 /nfs/dbraw/zinc/49/19/55/432491955.db2.gz XPYWZWRAGZSHBJ-AEGPPILISA-N 2 1 314.351 3.144 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272439899 432501548 /nfs/dbraw/zinc/50/15/48/432501548.db2.gz SUZCDSLPYTZSOF-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000154469870 432501632 /nfs/dbraw/zinc/50/16/32/432501632.db2.gz JMUFDWGLKMXADR-LJQANCHMSA-N 2 1 317.521 3.372 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000154539678 432503874 /nfs/dbraw/zinc/50/38/74/432503874.db2.gz XBGIHZVMAZBRMJ-GOSISDBHSA-N 2 1 303.494 3.063 20 0 DGADMP CC(C)(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272450318 432504585 /nfs/dbraw/zinc/50/45/85/432504585.db2.gz VUEFJMLTWIVNRV-RDGPPVDQSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455768 432505737 /nfs/dbraw/zinc/50/57/37/432505737.db2.gz JXIAQMYSYXWNNU-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP COc1cc(OC)c([C@@H](C)NC[C@H]2CCC[N@H+]2C)cc1Cl ZINC000154623323 432511265 /nfs/dbraw/zinc/51/12/65/432511265.db2.gz NIVXKICPAQTGPN-VXGBXAGGSA-N 2 1 312.841 3.102 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261934579 432461620 /nfs/dbraw/zinc/46/16/20/432461620.db2.gz TXHHRYQZVZGNES-VDZJLULYSA-N 2 1 310.441 3.408 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261934583 432461713 /nfs/dbraw/zinc/46/17/13/432461713.db2.gz TXHHRYQZVZGNES-WDYCEAGBSA-N 2 1 310.441 3.408 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254551 432461804 /nfs/dbraw/zinc/46/18/04/432461804.db2.gz GYAKANSVNWHONS-GOSISDBHSA-N 2 1 316.489 3.218 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261956260 432464452 /nfs/dbraw/zinc/46/44/52/432464452.db2.gz ORXHBKIIRPVVEN-UHOSZYNNSA-N 2 1 322.456 3.019 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000261989806 432467819 /nfs/dbraw/zinc/46/78/19/432467819.db2.gz SXXLOVGQBPYFGF-ZDUSSCGKSA-N 2 1 324.852 3.062 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186126675 432560198 /nfs/dbraw/zinc/56/01/98/432560198.db2.gz MMPVKABFTSYXQV-LJQANCHMSA-N 2 1 316.489 3.381 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@H](C)C1 ZINC000155581092 432562634 /nfs/dbraw/zinc/56/26/34/432562634.db2.gz KGQKRWJDEWDHGU-WBVHZDCISA-N 2 1 310.507 3.017 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOC(F)F)cc1 ZINC000194030105 432518916 /nfs/dbraw/zinc/51/89/16/432518916.db2.gz RIUZOJQWHCWGOG-GFCCVEGCSA-N 2 1 309.360 3.461 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000194069447 432521644 /nfs/dbraw/zinc/52/16/44/432521644.db2.gz NLLNVKAPMYPALV-IKGGRYGDSA-N 2 1 310.869 3.490 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000154861148 432526798 /nfs/dbraw/zinc/52/67/98/432526798.db2.gz SNWLTEWNBJEZPU-LPHOPBHVSA-N 2 1 304.478 3.194 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195135838 432607308 /nfs/dbraw/zinc/60/73/08/432607308.db2.gz HLTJHGMNMVHHKX-AEFFLSMTSA-N 2 1 312.461 3.076 20 0 DGADMP C[NH+]1CCC([NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000177354392 432615856 /nfs/dbraw/zinc/61/58/56/432615856.db2.gz XKNRZCOGJKWMIK-UHFFFAOYSA-N 2 1 307.507 3.417 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194862237 432583301 /nfs/dbraw/zinc/58/33/01/432583301.db2.gz QAGHAMQAWLUEDZ-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000186371680 432588045 /nfs/dbraw/zinc/58/80/45/432588045.db2.gz KWBQWRKUAYURNB-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000273656616 432622371 /nfs/dbraw/zinc/62/23/71/432622371.db2.gz DHRLSLYVNDXHKU-NEWSRXKRSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000273656616 432622373 /nfs/dbraw/zinc/62/23/73/432622373.db2.gz DHRLSLYVNDXHKU-NEWSRXKRSA-N 2 1 318.505 3.426 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182219 432640619 /nfs/dbraw/zinc/64/06/19/432640619.db2.gz VNHSXQSFBORTDQ-WBVHZDCISA-N 2 1 312.461 3.173 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000158256639 432642639 /nfs/dbraw/zinc/64/26/39/432642639.db2.gz WSQPIKHMEOIBMR-JKSUJKDBSA-N 2 1 320.477 3.476 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000158654596 432653863 /nfs/dbraw/zinc/65/38/63/432653863.db2.gz BUSQDDWPVSGEMY-ZNMIVQPWSA-N 2 1 304.482 3.112 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000158654596 432653865 /nfs/dbraw/zinc/65/38/65/432653865.db2.gz BUSQDDWPVSGEMY-ZNMIVQPWSA-N 2 1 304.482 3.112 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691464 432656166 /nfs/dbraw/zinc/65/61/66/432656166.db2.gz BFGZBMHTBAJWHO-KGLIPLIRSA-N 2 1 317.458 3.319 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274407262 432663846 /nfs/dbraw/zinc/66/38/46/432663846.db2.gz UQBHREJWPRHGBK-UHFFFAOYSA-N 2 1 306.450 3.152 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274407262 432663850 /nfs/dbraw/zinc/66/38/50/432663850.db2.gz UQBHREJWPRHGBK-UHFFFAOYSA-N 2 1 306.450 3.152 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000158959996 432664471 /nfs/dbraw/zinc/66/44/71/432664471.db2.gz ZYFAUJFQPVFBNF-MSOLQXFVSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CCC3)CC2)oc1C ZINC000178105521 432694685 /nfs/dbraw/zinc/69/46/85/432694685.db2.gz SRDBWPBBZDMUJM-AWEZNQCLSA-N 2 1 305.466 3.282 20 0 DGADMP C[C@H]1CCCC[NH+](CC2(C[N@@H+]3CCCC[C@H](C)C3)COC2)C1 ZINC000187972873 432696864 /nfs/dbraw/zinc/69/68/64/432696864.db2.gz RADFRNBHRCFDMV-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000178148879 432700107 /nfs/dbraw/zinc/70/01/07/432700107.db2.gz XIGBHTXPEOYISX-OCCSQVGLSA-N 2 1 316.367 3.200 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178224616 432708996 /nfs/dbraw/zinc/70/89/96/432708996.db2.gz ZEFKHLHSHGHJOS-CVEARBPZSA-N 2 1 314.477 3.290 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178224616 432709000 /nfs/dbraw/zinc/70/90/00/432709000.db2.gz ZEFKHLHSHGHJOS-CVEARBPZSA-N 2 1 314.477 3.290 20 0 DGADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000274824913 432714236 /nfs/dbraw/zinc/71/42/36/432714236.db2.gz CCGNGWLCHHLGCS-NZSAHSFTSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257816 432724628 /nfs/dbraw/zinc/72/46/28/432724628.db2.gz JKLITFXQINCUJJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257816 432724629 /nfs/dbraw/zinc/72/46/29/432724629.db2.gz JKLITFXQINCUJJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257816 432724631 /nfs/dbraw/zinc/72/46/31/432724631.db2.gz JKLITFXQINCUJJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257816 432724632 /nfs/dbraw/zinc/72/46/32/432724632.db2.gz JKLITFXQINCUJJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680927 /nfs/dbraw/zinc/68/09/27/432680927.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680931 /nfs/dbraw/zinc/68/09/31/432680931.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680934 /nfs/dbraw/zinc/68/09/34/432680934.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680936 /nfs/dbraw/zinc/68/09/36/432680936.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680938 /nfs/dbraw/zinc/68/09/38/432680938.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2cccc(C[N@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680941 /nfs/dbraw/zinc/68/09/41/432680941.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680943 /nfs/dbraw/zinc/68/09/43/432680943.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680944 /nfs/dbraw/zinc/68/09/44/432680944.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@H](C)C1 ZINC000177977509 432680945 /nfs/dbraw/zinc/68/09/45/432680945.db2.gz ARHIJUGODGPOQD-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000236606349 432751572 /nfs/dbraw/zinc/75/15/72/432751572.db2.gz OGFMPTSYUFDKGG-FQEVSTJZSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000236606349 432751574 /nfs/dbraw/zinc/75/15/74/432751574.db2.gz OGFMPTSYUFDKGG-FQEVSTJZSA-N 2 1 315.505 3.113 20 0 DGADMP c1sc(CNC[C@@H]2CC[N@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000236727234 432760874 /nfs/dbraw/zinc/76/08/74/432760874.db2.gz LYBFMYKNBNCPHR-AWEZNQCLSA-N 2 1 313.470 3.384 20 0 DGADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)C(C)C ZINC000236791627 432764830 /nfs/dbraw/zinc/76/48/30/432764830.db2.gz QCOJOFHDYTXMFG-INIZCTEOSA-N 2 1 320.477 3.445 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(F)c1 ZINC000178696626 432767606 /nfs/dbraw/zinc/76/76/06/432767606.db2.gz DKGPHMPUCRZPKG-STQMWFEESA-N 2 1 305.397 3.326 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000178703161 432767946 /nfs/dbraw/zinc/76/79/46/432767946.db2.gz VSBHBHSGPDKPOS-CVEARBPZSA-N 3 1 323.444 3.364 20 0 DGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700580 432768091 /nfs/dbraw/zinc/76/80/91/432768091.db2.gz YFMXSHKVQTXBMB-HUUCEWRRSA-N 2 1 301.434 3.495 20 0 DGADMP COC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237166280 432780038 /nfs/dbraw/zinc/78/00/38/432780038.db2.gz QMEWSTCQWXGQSP-IXDOHACOSA-N 2 1 304.478 3.289 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)CC[N@H+]1C ZINC000188557442 432732874 /nfs/dbraw/zinc/73/28/74/432732874.db2.gz YPEXGWZVYHPAKN-BBRMVZONSA-N 2 1 319.880 3.447 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000178439473 432736806 /nfs/dbraw/zinc/73/68/06/432736806.db2.gz WKJOZMPZPTVNTH-UHFFFAOYSA-N 2 1 309.360 3.315 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000178439473 432736808 /nfs/dbraw/zinc/73/68/08/432736808.db2.gz WKJOZMPZPTVNTH-UHFFFAOYSA-N 2 1 309.360 3.315 20 0 DGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000275663603 432739874 /nfs/dbraw/zinc/73/98/74/432739874.db2.gz XVYIYHIGXPKIDZ-OTWHNJEPSA-N 2 1 309.457 3.447 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000178479164 432742673 /nfs/dbraw/zinc/74/26/73/432742673.db2.gz VWFHTKFZYAEHKT-XJNFMUPTSA-N 2 1 318.461 3.227 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000162604650 432828005 /nfs/dbraw/zinc/82/80/05/432828005.db2.gz GWGORAJUXBICLX-MVCQKVDPSA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000162604650 432828007 /nfs/dbraw/zinc/82/80/07/432828007.db2.gz GWGORAJUXBICLX-MVCQKVDPSA-N 2 1 314.473 3.157 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162860829 432836504 /nfs/dbraw/zinc/83/65/04/432836504.db2.gz DGNJAMORBOWFPB-QRVBRYPASA-N 2 1 318.505 3.405 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000162857622 432836735 /nfs/dbraw/zinc/83/67/35/432836735.db2.gz NSEXYYWZVWTOLO-GOSISDBHSA-N 2 1 317.433 3.246 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000162857622 432836738 /nfs/dbraw/zinc/83/67/38/432836738.db2.gz NSEXYYWZVWTOLO-GOSISDBHSA-N 2 1 317.433 3.246 20 0 DGADMP c1c[nH+]c(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)[nH]1 ZINC000266796028 432787591 /nfs/dbraw/zinc/78/75/91/432787591.db2.gz YGONYYXSZHHWDV-UHFFFAOYSA-N 2 1 308.385 3.444 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000161642562 432790410 /nfs/dbraw/zinc/79/04/10/432790410.db2.gz ORHWKRUKBSDQDF-GOSISDBHSA-N 2 1 304.503 3.481 20 0 DGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000266828275 432791360 /nfs/dbraw/zinc/79/13/60/432791360.db2.gz DHSANYCAJQVFIZ-KRWDZBQOSA-N 2 1 310.869 3.228 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc([S@](C)=O)cc1 ZINC000161783593 432798785 /nfs/dbraw/zinc/79/87/85/432798785.db2.gz XANYBDVEVLQEOS-OPAMFIHVSA-N 2 1 322.518 3.197 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161851358 432801309 /nfs/dbraw/zinc/80/13/09/432801309.db2.gz QTAALZSNHYTFTK-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161851358 432801311 /nfs/dbraw/zinc/80/13/11/432801311.db2.gz QTAALZSNHYTFTK-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP CC(C)[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245764199 432861917 /nfs/dbraw/zinc/86/19/17/432861917.db2.gz WBFPPGGZCFSNJK-OWZKRDHZSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245764199 432861919 /nfs/dbraw/zinc/86/19/19/432861919.db2.gz WBFPPGGZCFSNJK-OWZKRDHZSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCCO1 ZINC000277640295 432866148 /nfs/dbraw/zinc/86/61/48/432866148.db2.gz CVSQFOYBMSDYCZ-HOJAQTOUSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCCO1 ZINC000277640295 432866151 /nfs/dbraw/zinc/86/61/51/432866151.db2.gz CVSQFOYBMSDYCZ-HOJAQTOUSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000277710867 432871940 /nfs/dbraw/zinc/87/19/40/432871940.db2.gz IOQZEDBODSJGRY-HZPDHXFCSA-N 2 1 308.441 3.020 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000163272467 432847817 /nfs/dbraw/zinc/84/78/17/432847817.db2.gz QWBOYIAPRNIHGS-UWVAXJGDSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000163272467 432847819 /nfs/dbraw/zinc/84/78/19/432847819.db2.gz QWBOYIAPRNIHGS-UWVAXJGDSA-N 2 1 316.489 3.444 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245610308 432849088 /nfs/dbraw/zinc/84/90/88/432849088.db2.gz AXBHFEAVSFZELG-IRXDYDNUSA-N 2 1 304.478 3.462 20 0 DGADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000245637167 432851302 /nfs/dbraw/zinc/85/13/02/432851302.db2.gz ACTMKCZWHOEHRL-HAGHYFMRSA-N 2 1 314.473 3.197 20 0 DGADMP C[NH2+]C[C@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000163458714 432853691 /nfs/dbraw/zinc/85/36/91/432853691.db2.gz BLZHSEDKXXBKQR-HNNXBMFYSA-N 2 1 317.477 3.245 20 0 DGADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000277525421 432858179 /nfs/dbraw/zinc/85/81/79/432858179.db2.gz UBJAPDWBCPUBSD-CABCVRRESA-N 2 1 303.450 3.127 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)c(F)c(F)c1 ZINC000278966946 432922264 /nfs/dbraw/zinc/92/22/64/432922264.db2.gz NAPUUUIZMHJHHU-GHMZBOCLSA-N 2 1 309.335 3.214 20 0 DGADMP Cc1ccncc1CCC[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000289360072 432949537 /nfs/dbraw/zinc/94/95/37/432949537.db2.gz YPNMEOJGSUSFMK-KRWDZBQOSA-N 2 1 303.494 3.424 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278899868 432914053 /nfs/dbraw/zinc/91/40/53/432914053.db2.gz FQSBWDKFIFTGDG-BLLLJJGKSA-N 2 1 301.821 3.376 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CSC[C@H]2C)cc1F ZINC000296559906 432922054 /nfs/dbraw/zinc/92/20/54/432922054.db2.gz VCRCHLHZCOLKDU-ABAIWWIYSA-N 2 1 305.422 3.161 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)c(F)c(F)c1 ZINC000278966951 432922083 /nfs/dbraw/zinc/92/20/83/432922083.db2.gz NAPUUUIZMHJHHU-MNOVXSKESA-N 2 1 309.335 3.214 20 0 DGADMP Cc1ccc2nc(CNCC(C)(C)[N@H+]3CCC[C@H](C)C3)cn2c1 ZINC000341150375 432976819 /nfs/dbraw/zinc/97/68/19/432976819.db2.gz UNNFLXRABLPDCS-HNNXBMFYSA-N 2 1 314.477 3.243 20 0 DGADMP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000297619640 433000091 /nfs/dbraw/zinc/00/00/91/433000091.db2.gz LELWJOOIAPYQAP-ZWKOTPCHSA-N 2 1 322.399 3.011 20 0 DGADMP C[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000289393970 432954536 /nfs/dbraw/zinc/95/45/36/432954536.db2.gz FMJFVISCIXNIHT-INIZCTEOSA-N 2 1 323.912 3.013 20 0 DGADMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCc1cnccc1C ZINC000290174519 433007169 /nfs/dbraw/zinc/00/71/69/433007169.db2.gz YQOHBWGIJFBIQK-SFHVURJKSA-N 2 1 312.413 3.169 20 0 DGADMP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCc1cnccc1C ZINC000290174516 433007673 /nfs/dbraw/zinc/00/76/73/433007673.db2.gz YQOHBWGIJFBIQK-GOSISDBHSA-N 2 1 312.413 3.169 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1O ZINC000297768644 433014719 /nfs/dbraw/zinc/01/47/19/433014719.db2.gz VKDBVLIMICOIEJ-HNNXBMFYSA-N 2 1 306.450 3.145 20 0 DGADMP Fc1ccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000297787687 433017973 /nfs/dbraw/zinc/01/79/73/433017973.db2.gz WPVCQNBREDSGQI-UHFFFAOYSA-N 2 1 302.437 3.365 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000290261164 433022055 /nfs/dbraw/zinc/02/20/55/433022055.db2.gz VDIZXBMBXXPILC-GOSISDBHSA-N 2 1 317.521 3.012 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCCCC1 ZINC000493976525 289061040 /nfs/dbraw/zinc/06/10/40/289061040.db2.gz JLJXZHPADNVYTE-BRWVUGGUSA-N 2 1 306.494 3.188 20 0 DGADMP Fc1ccc(F)c2c1OCC[C@H]2[NH2+]Cc1cccc2nccn21 ZINC000361247940 433056699 /nfs/dbraw/zinc/05/66/99/433056699.db2.gz AEBCJNAMLBJTBE-CQSZACIVSA-N 2 1 315.323 3.226 20 0 DGADMP CN(CCC[N@@H+](C)[C@H]1CCc2c1cccc2Cl)CC[NH+](C)C ZINC000344032090 289132963 /nfs/dbraw/zinc/13/29/63/289132963.db2.gz PJCJLZKDFZWZPK-SFHVURJKSA-N 2 1 323.912 3.143 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000298194412 433053350 /nfs/dbraw/zinc/05/33/50/433053350.db2.gz BZLULEWFIYWFOO-AAEUAGOBSA-N 2 1 317.260 3.101 20 0 DGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466267 433060208 /nfs/dbraw/zinc/06/02/08/433060208.db2.gz NGCJCCDPUYTWEA-NVXWUHKLSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466267 433060216 /nfs/dbraw/zinc/06/02/16/433060216.db2.gz NGCJCCDPUYTWEA-NVXWUHKLSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466267 433060222 /nfs/dbraw/zinc/06/02/22/433060222.db2.gz NGCJCCDPUYTWEA-NVXWUHKLSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466267 433060232 /nfs/dbraw/zinc/06/02/32/433060232.db2.gz NGCJCCDPUYTWEA-NVXWUHKLSA-N 2 1 320.477 3.254 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1ccccc1Br ZINC000298259318 433070086 /nfs/dbraw/zinc/07/00/86/433070086.db2.gz FJSCSWXNABRXTL-UHFFFAOYSA-N 2 1 322.250 3.250 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000261655679 289364746 /nfs/dbraw/zinc/36/47/46/289364746.db2.gz FWUDBSOPYNXRKU-IYWMVGAKSA-N 2 1 315.505 3.190 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nccn3-c3ccccc3)C2)CC1 ZINC000290523492 433081784 /nfs/dbraw/zinc/08/17/84/433081784.db2.gz QFMPBOIWTFGLFM-SFHVURJKSA-N 2 1 324.472 3.036 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1O ZINC000298317885 433088092 /nfs/dbraw/zinc/08/80/92/433088092.db2.gz IEPQVFYHRFEKRJ-MRXNPFEDSA-N 2 1 306.450 3.001 20 0 DGADMP Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(C2CC2)n1 ZINC000341492903 433089072 /nfs/dbraw/zinc/08/90/72/433089072.db2.gz FINGWFACRLMUMC-OAHLLOKOSA-N 2 1 310.445 3.595 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546840 433091700 /nfs/dbraw/zinc/09/17/00/433091700.db2.gz RNNNRDRCGFWWBC-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546840 433091712 /nfs/dbraw/zinc/09/17/12/433091712.db2.gz RNNNRDRCGFWWBC-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546840 433091721 /nfs/dbraw/zinc/09/17/21/433091721.db2.gz RNNNRDRCGFWWBC-TVLGLLHQSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000290555989 433098284 /nfs/dbraw/zinc/09/82/84/433098284.db2.gz XFLBTDJKDGOWSY-UHFFFAOYSA-N 2 1 316.367 3.185 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000361346729 433122612 /nfs/dbraw/zinc/12/26/12/433122612.db2.gz QEQDWYBXHORPRM-HLIPFELVSA-N 2 1 316.489 3.307 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1O ZINC000290653950 433129722 /nfs/dbraw/zinc/12/97/22/433129722.db2.gz KFVYBCJBYFLMGV-HZPDHXFCSA-N 2 1 320.477 3.419 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000290653950 433129729 /nfs/dbraw/zinc/12/97/29/433129729.db2.gz KFVYBCJBYFLMGV-HZPDHXFCSA-N 2 1 320.477 3.419 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc2c1 ZINC000290652840 433130881 /nfs/dbraw/zinc/13/08/81/433130881.db2.gz ZEEBDZHYECRLRP-KDOFPFPSSA-N 2 1 314.429 3.358 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361368618 433136724 /nfs/dbraw/zinc/13/67/24/433136724.db2.gz RIVHCRDRGXVKFK-CMTQZCSUSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361368618 433136735 /nfs/dbraw/zinc/13/67/35/433136735.db2.gz RIVHCRDRGXVKFK-CMTQZCSUSA-N 2 1 316.489 3.180 20 0 DGADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000453387560 433142567 /nfs/dbraw/zinc/14/25/67/433142567.db2.gz FLDCUMHKJBZTBJ-KHSSZTOVSA-N 2 1 308.441 3.084 20 0 DGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420297805 433149215 /nfs/dbraw/zinc/14/92/15/433149215.db2.gz GGGDHHNYSBENMT-IRXDYDNUSA-N 2 1 317.477 3.115 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@H](C)c2ccccc2)cc1 ZINC000420297927 433149410 /nfs/dbraw/zinc/14/94/10/433149410.db2.gz GQKLQJAMINDUPB-LPHOPBHVSA-N 2 1 312.457 3.473 20 0 DGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000420298362 433150281 /nfs/dbraw/zinc/15/02/81/433150281.db2.gz FBHXDFIXKZPMNH-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1 ZINC000420295225 433150569 /nfs/dbraw/zinc/15/05/69/433150569.db2.gz BYOZBTPYNXFPEI-NOCIGQNYSA-N 2 1 302.462 3.391 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000420308936 433152237 /nfs/dbraw/zinc/15/22/37/433152237.db2.gz SOPSCWIFRLYXGZ-DZGCQCFKSA-N 2 1 301.459 3.433 20 0 DGADMP CN(CCCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298355802 433105695 /nfs/dbraw/zinc/10/56/95/433105695.db2.gz JXOMVWNWIOOVPB-UHFFFAOYSA-N 2 1 301.478 3.119 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@@H](N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000453358054 433115708 /nfs/dbraw/zinc/11/57/08/433115708.db2.gz JQZCUTYJNDPWJP-SJORKVTESA-N 2 1 309.542 3.159 20 0 DGADMP Cn1ccnc1C[N@@H+](CCCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000420302195 433154104 /nfs/dbraw/zinc/15/41/04/433154104.db2.gz BKHRTQHEGAXFAE-INIZCTEOSA-N 2 1 318.509 3.191 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000350222316 433118789 /nfs/dbraw/zinc/11/87/89/433118789.db2.gz RSZQDYWIIJBCIW-QAPCUYQASA-N 2 1 308.441 3.319 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000350222315 433119046 /nfs/dbraw/zinc/11/90/46/433119046.db2.gz RSZQDYWIIJBCIW-MAUKXSAKSA-N 2 1 308.441 3.319 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361495397 433207486 /nfs/dbraw/zinc/20/74/86/433207486.db2.gz DPBGMISOYXFPGZ-MBOZVWFJSA-N 3 1 315.505 3.142 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420304858 433155339 /nfs/dbraw/zinc/15/53/39/433155339.db2.gz OTXZLFBWNZWYNM-WMZOPIPTSA-N 2 1 304.503 3.475 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403507 433158340 /nfs/dbraw/zinc/15/83/40/433158340.db2.gz OOXJUGBPYLUXFP-YLJYHZDGSA-N 3 1 321.553 3.494 20 0 DGADMP COc1ccccc1CCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420318548 433161130 /nfs/dbraw/zinc/16/11/30/433161130.db2.gz QEPQEDLBDOKPTR-UXHICEINSA-N 2 1 324.468 3.302 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2cccs2)cc1 ZINC000420321798 433166331 /nfs/dbraw/zinc/16/63/31/433166331.db2.gz RVNREZAXRHDCAN-UKRRQHHQSA-N 2 1 304.459 3.492 20 0 DGADMP CCCCc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420320371 433166739 /nfs/dbraw/zinc/16/67/39/433166739.db2.gz BLIIVWXGUCILNG-HUUCEWRRSA-N 2 1 307.507 3.307 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420320273 433168216 /nfs/dbraw/zinc/16/82/16/433168216.db2.gz BCMZAOMOQPQVAS-JKSUJKDBSA-N 2 1 320.502 3.109 20 0 DGADMP CN(C)c1ncc(C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)n1C ZINC000425337825 433172286 /nfs/dbraw/zinc/17/22/86/433172286.db2.gz OINCBEFOBNMXBO-KRWDZBQOSA-N 2 1 312.461 3.112 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000420339680 433172293 /nfs/dbraw/zinc/17/22/93/433172293.db2.gz OUGQRNDXFYBIRD-CALCHBBNSA-N 2 1 311.429 3.081 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000420356367 433174389 /nfs/dbraw/zinc/17/43/89/433174389.db2.gz GHJMCLLFRDIMRQ-ZDUSSCGKSA-N 2 1 305.249 3.335 20 0 DGADMP Clc1cccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355372 433176115 /nfs/dbraw/zinc/17/61/15/433176115.db2.gz FJWVDGXGBBQTGO-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1cccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355372 433176124 /nfs/dbraw/zinc/17/61/24/433176124.db2.gz FJWVDGXGBBQTGO-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1cccc(O[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000420354295 433178776 /nfs/dbraw/zinc/17/87/76/433178776.db2.gz CUWLQLRWFJMOTM-QGZVFWFLSA-N 2 1 308.853 3.183 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453433518 433182621 /nfs/dbraw/zinc/18/26/21/433182621.db2.gz SPBRCYAWQBVTPT-GOEBONIOSA-N 2 1 318.452 3.148 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000420368078 433184320 /nfs/dbraw/zinc/18/43/20/433184320.db2.gz TYVOJDYXBUIOEC-CYBMUJFWSA-N 2 1 305.249 3.335 20 0 DGADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)sc1Br ZINC000336749547 433190743 /nfs/dbraw/zinc/19/07/43/433190743.db2.gz UCYIUDLRGVNVDQ-VIFPVBQESA-N 2 1 305.285 3.106 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381795 433191904 /nfs/dbraw/zinc/19/19/04/433191904.db2.gz CRFZZTNDFXHJBR-WMZOPIPTSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000298685311 433213058 /nfs/dbraw/zinc/21/30/58/433213058.db2.gz HOJCWIHLZPNPSL-UHFFFAOYSA-N 2 1 309.417 3.070 20 0 DGADMP C[C@H]1CCc2nc(C[NH2+]CCCC[N@@H+](C)C3CC3)sc2C1 ZINC000453591485 433218534 /nfs/dbraw/zinc/21/85/34/433218534.db2.gz CHFOGGOXEBWYLY-ZDUSSCGKSA-N 2 1 307.507 3.232 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000447544517 433221890 /nfs/dbraw/zinc/22/18/90/433221890.db2.gz VVCHDCLYDLBWOC-XHSDSOJGSA-N 2 1 308.466 3.436 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000453592339 433222972 /nfs/dbraw/zinc/22/29/72/433222972.db2.gz DTZQQYCCNWAQNZ-UHFFFAOYSA-N 2 1 316.424 3.180 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000453599397 433227852 /nfs/dbraw/zinc/22/78/52/433227852.db2.gz RADYVVBAVJQFRW-UHFFFAOYSA-N 2 1 304.463 3.102 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000447563788 433228027 /nfs/dbraw/zinc/22/80/27/433228027.db2.gz SKSKJVAFKLMEGO-NTHMGXEOSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563788 433228036 /nfs/dbraw/zinc/22/80/36/433228036.db2.gz SKSKJVAFKLMEGO-NTHMGXEOSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563788 433228043 /nfs/dbraw/zinc/22/80/43/433228043.db2.gz SKSKJVAFKLMEGO-NTHMGXEOSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563788 433228050 /nfs/dbraw/zinc/22/80/50/433228050.db2.gz SKSKJVAFKLMEGO-NTHMGXEOSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563788 433228059 /nfs/dbraw/zinc/22/80/59/433228059.db2.gz SKSKJVAFKLMEGO-NTHMGXEOSA-N 2 1 313.489 3.037 20 0 DGADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374604921 433233331 /nfs/dbraw/zinc/23/33/31/433233331.db2.gz OGHCHLMAQSZVPF-UFYCRDLUSA-N 2 1 309.457 3.405 20 0 DGADMP CSCc1cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000350651437 433245423 /nfs/dbraw/zinc/24/54/23/433245423.db2.gz BJYRPTBUAKTGSD-UHFFFAOYSA-N 2 1 313.536 3.170 20 0 DGADMP O[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000341740792 433245994 /nfs/dbraw/zinc/24/59/94/433245994.db2.gz IDUKCVQXEHKLER-ROUUACIJSA-N 2 1 322.880 3.228 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454979 433247962 /nfs/dbraw/zinc/24/79/62/433247962.db2.gz FONIYKOWHCCOFQ-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454979 433247972 /nfs/dbraw/zinc/24/79/72/433247972.db2.gz FONIYKOWHCCOFQ-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000280996085 433248061 /nfs/dbraw/zinc/24/80/61/433248061.db2.gz MEZDRNDEJINZGH-LJQANCHMSA-N 2 1 302.462 3.480 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458527 433249451 /nfs/dbraw/zinc/24/94/51/433249451.db2.gz MYGMHFZACKHMSD-UZLBHIALSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458527 433249454 /nfs/dbraw/zinc/24/94/54/433249454.db2.gz MYGMHFZACKHMSD-UZLBHIALSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000425458527 433249460 /nfs/dbraw/zinc/24/94/60/433249460.db2.gz MYGMHFZACKHMSD-UZLBHIALSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000425458527 433249470 /nfs/dbraw/zinc/24/94/70/433249470.db2.gz MYGMHFZACKHMSD-UZLBHIALSA-N 2 1 316.489 3.447 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726564 433267522 /nfs/dbraw/zinc/26/75/22/433267522.db2.gz GGJXPKGVXKJWPX-CMPLNLGQSA-N 2 1 321.412 3.324 20 0 DGADMP CCN(CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)CC(F)(F)F ZINC000354859444 433326493 /nfs/dbraw/zinc/32/64/93/433326493.db2.gz UCABZGHVUJJRQB-HUUCEWRRSA-N 2 1 323.447 3.065 20 0 DGADMP C[C@H](O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852728 433318612 /nfs/dbraw/zinc/31/86/12/433318612.db2.gz ODBAMQFIEZBGIZ-LNLFQRSKSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852728 433318616 /nfs/dbraw/zinc/31/86/16/433318616.db2.gz ODBAMQFIEZBGIZ-LNLFQRSKSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852728 433318621 /nfs/dbraw/zinc/31/86/21/433318621.db2.gz ODBAMQFIEZBGIZ-LNLFQRSKSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852728 433318628 /nfs/dbraw/zinc/31/86/28/433318628.db2.gz ODBAMQFIEZBGIZ-LNLFQRSKSA-N 2 1 304.478 3.132 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291709233 433320399 /nfs/dbraw/zinc/32/03/99/433320399.db2.gz LCCSQZULESLVKR-HNNXBMFYSA-N 2 1 313.445 3.045 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000350836562 433298209 /nfs/dbraw/zinc/29/82/09/433298209.db2.gz WPDAGOGNCHQHRT-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000350836562 433298219 /nfs/dbraw/zinc/29/82/19/433298219.db2.gz WPDAGOGNCHQHRT-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420906615 433304198 /nfs/dbraw/zinc/30/41/98/433304198.db2.gz SUCCTNYQENFJHQ-LJQANCHMSA-N 2 1 302.462 3.139 20 0 DGADMP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420906615 433304200 /nfs/dbraw/zinc/30/42/00/433304200.db2.gz SUCCTNYQENFJHQ-LJQANCHMSA-N 2 1 302.462 3.139 20 0 DGADMP CCN(CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)CC(F)(F)F ZINC000354859444 433326481 /nfs/dbraw/zinc/32/64/81/433326481.db2.gz UCABZGHVUJJRQB-HUUCEWRRSA-N 2 1 323.447 3.065 20 0 DGADMP CCN(CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)CC(F)(F)F ZINC000354859444 433326486 /nfs/dbraw/zinc/32/64/86/433326486.db2.gz UCABZGHVUJJRQB-HUUCEWRRSA-N 2 1 323.447 3.065 20 0 DGADMP C[C@H]([N@@H+](C)Cc1ccc(CN2CCOCC2)cc1)C1(C)CC1 ZINC000420913239 433309869 /nfs/dbraw/zinc/30/98/69/433309869.db2.gz IQZDGSGOUKLRJM-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]([N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C)CC1 ZINC000420913239 433309876 /nfs/dbraw/zinc/30/98/76/433309876.db2.gz IQZDGSGOUKLRJM-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]([N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C)CC1 ZINC000420913239 433309881 /nfs/dbraw/zinc/30/98/81/433309881.db2.gz IQZDGSGOUKLRJM-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000339095840 433358338 /nfs/dbraw/zinc/35/83/38/433358338.db2.gz KHOMSABNGLMXSJ-VBYALHQYSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000339095840 433358349 /nfs/dbraw/zinc/35/83/49/433358349.db2.gz KHOMSABNGLMXSJ-VBYALHQYSA-N 2 1 316.489 3.443 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+](C1CCC1)C1CCC1 ZINC000420977214 433363402 /nfs/dbraw/zinc/36/34/02/433363402.db2.gz RYZIXHIXIWSDOS-UHFFFAOYSA-N 2 1 314.473 3.426 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000414054824 433365403 /nfs/dbraw/zinc/36/54/03/433365403.db2.gz BSKHBFGEYHCGOZ-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414068462 433372931 /nfs/dbraw/zinc/37/29/31/433372931.db2.gz JTEUTFDWOXANNM-IXDOHACOSA-N 2 1 318.509 3.238 20 0 DGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066592 433337031 /nfs/dbraw/zinc/33/70/31/433337031.db2.gz GIDNGHCDCLRZEP-JFIYKMOQSA-N 2 1 302.487 3.233 20 0 DGADMP FC1(F)CC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000291752517 433338716 /nfs/dbraw/zinc/33/87/16/433338716.db2.gz QHYICXXFBYLUSI-UHFFFAOYSA-N 2 1 308.416 3.328 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC[N@H+]1C ZINC000281933248 433431890 /nfs/dbraw/zinc/43/18/90/433431890.db2.gz BCFGVKIUZOORQJ-BBRMVZONSA-N 2 1 303.425 3.312 20 0 DGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1C[C@H]1C ZINC000414082845 433382393 /nfs/dbraw/zinc/38/23/93/433382393.db2.gz FXJGXQQNHUMULK-NXHRZFHOSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@H]1C[C@H]1C ZINC000414082841 433383751 /nfs/dbraw/zinc/38/37/51/433383751.db2.gz FXJGXQQNHUMULK-NJAFHUGGSA-N 2 1 308.510 3.434 20 0 DGADMP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000351141971 433389582 /nfs/dbraw/zinc/38/95/82/433389582.db2.gz IAFSVBIQVRXADP-MLGOLLRUSA-N 2 1 307.825 3.211 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1C[C@@H]1C ZINC000414098194 433391390 /nfs/dbraw/zinc/39/13/90/433391390.db2.gz ISWSPUFBDGJVHO-VUCTXSBTSA-N 2 1 302.466 3.086 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)C2 ZINC000426033058 433408097 /nfs/dbraw/zinc/40/80/97/433408097.db2.gz AWJVEJSKHUQUAN-WMZOPIPTSA-N 2 1 316.489 3.407 20 0 DGADMP CCc1nocc1C[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000339170371 433413024 /nfs/dbraw/zinc/41/30/24/433413024.db2.gz MUIGGTSWYYPPPF-UHFFFAOYSA-N 2 1 301.434 3.369 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131511 433417315 /nfs/dbraw/zinc/41/73/15/433417315.db2.gz LAINPJHTXMUFFT-NXHRZFHOSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131511 433417321 /nfs/dbraw/zinc/41/73/21/433417321.db2.gz LAINPJHTXMUFFT-NXHRZFHOSA-N 2 1 322.880 3.022 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414134290 433418561 /nfs/dbraw/zinc/41/85/61/433418561.db2.gz CGOLAVNDCBTZQQ-LMCOJAPRSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414134290 433418572 /nfs/dbraw/zinc/41/85/72/433418572.db2.gz CGOLAVNDCBTZQQ-LMCOJAPRSA-N 2 1 316.489 3.443 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000361879914 433435362 /nfs/dbraw/zinc/43/53/62/433435362.db2.gz JKAQHWMIRUXFCW-RXVVDRJESA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000361879914 433435367 /nfs/dbraw/zinc/43/53/67/433435367.db2.gz JKAQHWMIRUXFCW-RXVVDRJESA-N 2 1 324.468 3.283 20 0 DGADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414193918 433453740 /nfs/dbraw/zinc/45/37/40/433453740.db2.gz UAKBMXOYQYZRTH-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]21 ZINC000342095285 433467123 /nfs/dbraw/zinc/46/71/23/433467123.db2.gz FTLYWDJIIXDOGD-HYVNUMGLSA-N 2 1 313.470 3.369 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000342111850 433475370 /nfs/dbraw/zinc/47/53/70/433475370.db2.gz URQVSHTXJKAWKW-YESZJQIVSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000342111850 433475377 /nfs/dbraw/zinc/47/53/77/433475377.db2.gz URQVSHTXJKAWKW-YESZJQIVSA-N 2 1 311.429 3.209 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261556673 290262148 /nfs/dbraw/zinc/26/21/48/290262148.db2.gz CDIYKRGIIPZAGZ-MPXAEWJHSA-N 2 1 309.251 3.179 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292142293 433480516 /nfs/dbraw/zinc/48/05/16/433480516.db2.gz MHGOJCNLJNODIT-MAUKXSAKSA-N 2 1 317.408 3.088 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421370868 433517201 /nfs/dbraw/zinc/51/72/01/433517201.db2.gz JAVBFTWMBAUVRT-RTBURBONSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426506340 433517776 /nfs/dbraw/zinc/51/77/76/433517776.db2.gz DXSQMJTZCBBVNU-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000426506340 433517786 /nfs/dbraw/zinc/51/77/86/433517786.db2.gz DXSQMJTZCBBVNU-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000421377941 433524116 /nfs/dbraw/zinc/52/41/16/433524116.db2.gz SKRJIHXRIWCFBR-PKOBYXMFSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000421377941 433524119 /nfs/dbraw/zinc/52/41/19/433524119.db2.gz SKRJIHXRIWCFBR-PKOBYXMFSA-N 2 1 316.489 3.324 20 0 DGADMP CCc1cc(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000301374308 433527291 /nfs/dbraw/zinc/52/72/91/433527291.db2.gz WTRYQKMPKJJGML-KRWDZBQOSA-N 2 1 314.433 3.071 20 0 DGADMP C[C@@H]([NH2+]CCCC1(O)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421388566 433531995 /nfs/dbraw/zinc/53/19/95/433531995.db2.gz PZRZSEPZWJDKER-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000414314530 433538848 /nfs/dbraw/zinc/53/88/48/433538848.db2.gz LGAIGVUSVKTCGJ-INIZCTEOSA-N 2 1 302.462 3.198 20 0 DGADMP CCc1nocc1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000339279757 433492833 /nfs/dbraw/zinc/49/28/33/433492833.db2.gz POJSSWSDKQUWCV-SUMWQHHRSA-N 2 1 319.474 3.471 20 0 DGADMP COCC(C)(C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426415462 433493704 /nfs/dbraw/zinc/49/37/04/433493704.db2.gz DIYRSJMECFPAIZ-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP COCC(C)(C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426415462 433493714 /nfs/dbraw/zinc/49/37/14/433493714.db2.gz DIYRSJMECFPAIZ-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP COCC(C)(C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426415462 433493721 /nfs/dbraw/zinc/49/37/21/433493721.db2.gz DIYRSJMECFPAIZ-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H]1C[C@H](CO)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000421359642 433501740 /nfs/dbraw/zinc/50/17/40/433501740.db2.gz GLYPPRZSEQILMF-HKUYNNGSSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@H]1C[C@H](CO)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000421359642 433501753 /nfs/dbraw/zinc/50/17/53/433501753.db2.gz GLYPPRZSEQILMF-HKUYNNGSSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@H]1C[C@H](CO)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000421359642 433501760 /nfs/dbraw/zinc/50/17/60/433501760.db2.gz GLYPPRZSEQILMF-HKUYNNGSSA-N 2 1 318.505 3.095 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000342225001 433549977 /nfs/dbraw/zinc/54/99/77/433549977.db2.gz OUMXGQJCSUMPNO-DLBZAZTESA-N 2 1 310.869 3.228 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414333793 433551140 /nfs/dbraw/zinc/55/11/40/433551140.db2.gz BABJWHJLTAGGAB-JKIFEVAISA-N 2 1 317.452 3.321 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414333793 433551149 /nfs/dbraw/zinc/55/11/49/433551149.db2.gz BABJWHJLTAGGAB-JKIFEVAISA-N 2 1 317.452 3.321 20 0 DGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)ncn1 ZINC000301443049 433557546 /nfs/dbraw/zinc/55/75/46/433557546.db2.gz NCMFBQNMFOROPO-GOSISDBHSA-N 2 1 310.445 3.133 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000414345915 433560466 /nfs/dbraw/zinc/56/04/66/433560466.db2.gz UHQZFSBJYQMFFX-WQJJYIMCSA-N 2 1 302.462 3.117 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414359914 433566465 /nfs/dbraw/zinc/56/64/65/433566465.db2.gz PONRQKTXFPOUHO-UHFFFAOYSA-N 2 1 323.343 3.083 20 0 DGADMP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282358378 433579974 /nfs/dbraw/zinc/57/99/74/433579974.db2.gz WBIDMEKSEKXDBF-UYAOXDASSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577092 433594318 /nfs/dbraw/zinc/59/43/18/433594318.db2.gz ZDNQGDCYWBUKKG-MOPGFXCFSA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577092 433594320 /nfs/dbraw/zinc/59/43/20/433594320.db2.gz ZDNQGDCYWBUKKG-MOPGFXCFSA-N 2 1 320.452 3.102 20 0 DGADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1Br ZINC000342299808 433599974 /nfs/dbraw/zinc/59/99/74/433599974.db2.gz XUESDSMXAKLNJG-GFCCVEGCSA-N 2 1 312.255 3.155 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]cc1Br ZINC000342299808 433599981 /nfs/dbraw/zinc/59/99/81/433599981.db2.gz XUESDSMXAKLNJG-GFCCVEGCSA-N 2 1 312.255 3.155 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000282413064 433600926 /nfs/dbraw/zinc/60/09/26/433600926.db2.gz CIEVGKDVLPRMPY-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000282413064 433600937 /nfs/dbraw/zinc/60/09/37/433600937.db2.gz CIEVGKDVLPRMPY-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351596970 433601016 /nfs/dbraw/zinc/60/10/16/433601016.db2.gz HMKHQAWUXQMNFS-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351596970 433601026 /nfs/dbraw/zinc/60/10/26/433601026.db2.gz HMKHQAWUXQMNFS-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000351596970 433601030 /nfs/dbraw/zinc/60/10/30/433601030.db2.gz HMKHQAWUXQMNFS-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351596970 433601044 /nfs/dbraw/zinc/60/10/44/433601044.db2.gz HMKHQAWUXQMNFS-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356526996 433608093 /nfs/dbraw/zinc/60/80/93/433608093.db2.gz NMUBFLXUTFZPNU-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356526996 433608106 /nfs/dbraw/zinc/60/81/06/433608106.db2.gz NMUBFLXUTFZPNU-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356526996 433608118 /nfs/dbraw/zinc/60/81/18/433608118.db2.gz NMUBFLXUTFZPNU-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356526996 433608130 /nfs/dbraw/zinc/60/81/30/433608130.db2.gz NMUBFLXUTFZPNU-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(F)F ZINC000427122419 433656892 /nfs/dbraw/zinc/65/68/92/433656892.db2.gz BZDWMSQHXWYJPK-HUUCEWRRSA-N 2 1 310.388 3.089 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(F)F ZINC000427122419 433656897 /nfs/dbraw/zinc/65/68/97/433656897.db2.gz BZDWMSQHXWYJPK-HUUCEWRRSA-N 2 1 310.388 3.089 20 0 DGADMP COc1cccc2c(N(C)CC3CC[NH+](C)CC3)cc(C)[nH+]c12 ZINC000301652851 433657126 /nfs/dbraw/zinc/65/71/26/433657126.db2.gz GWHSKLVAOXDJRL-UHFFFAOYSA-N 2 1 313.445 3.330 20 0 DGADMP CC(C)SCC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000283100721 433665077 /nfs/dbraw/zinc/66/50/77/433665077.db2.gz LTDBIBUTFVPENP-UHFFFAOYSA-N 2 1 321.534 3.162 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000376105190 433667926 /nfs/dbraw/zinc/66/79/26/433667926.db2.gz WQOTZLWYAFLFDI-RACLHMPKSA-N 2 1 316.489 3.410 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000376105190 433667931 /nfs/dbraw/zinc/66/79/31/433667931.db2.gz WQOTZLWYAFLFDI-RACLHMPKSA-N 2 1 316.489 3.410 20 0 DGADMP Cc1cc(NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000342429531 433685165 /nfs/dbraw/zinc/68/51/65/433685165.db2.gz ZDLSFQPCQOSNNX-IBGZPJMESA-N 2 1 324.472 3.010 20 0 DGADMP Cc1cc(NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000342429531 433685170 /nfs/dbraw/zinc/68/51/70/433685170.db2.gz ZDLSFQPCQOSNNX-IBGZPJMESA-N 2 1 324.472 3.010 20 0 DGADMP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000367082215 293022678 /nfs/dbraw/zinc/02/26/78/293022678.db2.gz YPSCZXNEUFCWFP-IPMKNSEASA-N 2 1 308.510 3.268 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000367086259 293023948 /nfs/dbraw/zinc/02/39/48/293023948.db2.gz KHHXKAATUGDKDN-XYJFISCASA-N 2 1 306.494 3.188 20 0 DGADMP Cc1cccc(-c2n[nH]cc2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000368366560 293120037 /nfs/dbraw/zinc/12/00/37/293120037.db2.gz FQLVTVMNJOWIOM-ZWKOTPCHSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000368366560 293120039 /nfs/dbraw/zinc/12/00/39/293120039.db2.gz FQLVTVMNJOWIOM-ZWKOTPCHSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000368366560 293120042 /nfs/dbraw/zinc/12/00/42/293120042.db2.gz FQLVTVMNJOWIOM-ZWKOTPCHSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(OC2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000368370156 293120791 /nfs/dbraw/zinc/12/07/91/293120791.db2.gz JXBBJJJLLWUAFW-UHFFFAOYSA-N 2 1 317.477 3.106 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000370662817 293182346 /nfs/dbraw/zinc/18/23/46/293182346.db2.gz OQKOCYSGMHHCIN-HLIPFELVSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000370662817 293182348 /nfs/dbraw/zinc/18/23/48/293182348.db2.gz OQKOCYSGMHHCIN-HLIPFELVSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370677522 293185082 /nfs/dbraw/zinc/18/50/82/293185082.db2.gz XETPYPYXXXWDGH-JZXOWHBKSA-N 2 1 300.446 3.425 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370677523 293185313 /nfs/dbraw/zinc/18/53/13/293185313.db2.gz XETPYPYXXXWDGH-NUJGCVRESA-N 2 1 300.446 3.425 20 0 DGADMP COC[C@]1(C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)CCC[NH2+]1 ZINC000423415441 293295075 /nfs/dbraw/zinc/29/50/75/293295075.db2.gz PBPWOHLECPHHQN-RBUKOAKNSA-N 2 1 302.462 3.194 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373977597 293338143 /nfs/dbraw/zinc/33/81/43/293338143.db2.gz OCLZTIHOVBZSII-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP COCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374064228 293348463 /nfs/dbraw/zinc/34/84/63/293348463.db2.gz IFFYAULHGOPZAA-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374064228 293348464 /nfs/dbraw/zinc/34/84/64/293348464.db2.gz IFFYAULHGOPZAA-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374064228 293348466 /nfs/dbraw/zinc/34/84/66/293348466.db2.gz IFFYAULHGOPZAA-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000374269149 293374686 /nfs/dbraw/zinc/37/46/86/293374686.db2.gz NFVLIPSJIAAVHI-SJLPKXTDSA-N 2 1 318.509 3.171 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449063305 433718940 /nfs/dbraw/zinc/71/89/40/433718940.db2.gz OWFHIMCQJQGDBB-INIZCTEOSA-N 2 1 304.478 3.433 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000449169521 433731035 /nfs/dbraw/zinc/73/10/35/433731035.db2.gz OSEFRAKQUIOVDO-FHWLQOOXSA-N 2 1 316.489 3.038 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000449169521 433731041 /nfs/dbraw/zinc/73/10/41/433731041.db2.gz OSEFRAKQUIOVDO-FHWLQOOXSA-N 2 1 316.489 3.038 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C2CC2)c(F)c1 ZINC000421798719 433736804 /nfs/dbraw/zinc/73/68/04/433736804.db2.gz CBRQEDNFNYDNTQ-KRWDZBQOSA-N 2 1 308.441 3.463 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421816790 433738823 /nfs/dbraw/zinc/73/88/23/433738823.db2.gz QVEJDZIYKJEVKA-SJLPKXTDSA-N 2 1 301.478 3.183 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000449383120 433740208 /nfs/dbraw/zinc/74/02/08/433740208.db2.gz FFUOQOUPTGNCNO-ILXRZTDVSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421819005 433743755 /nfs/dbraw/zinc/74/37/55/433743755.db2.gz DOLGXKRVFLCMOB-MJGOQNOKSA-N 2 1 315.505 3.431 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)C1 ZINC000421819306 433744736 /nfs/dbraw/zinc/74/47/36/433744736.db2.gz GMJHORDXJPGGCJ-UGSOOPFHSA-N 2 1 306.425 3.217 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)C2CC2)c(F)c1 ZINC000421819192 433745200 /nfs/dbraw/zinc/74/52/00/433745200.db2.gz FQJQNGPKUMOZHP-SFHVURJKSA-N 2 1 306.425 3.361 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000376474744 433746715 /nfs/dbraw/zinc/74/67/15/433746715.db2.gz XXZOIPJOAPEXEZ-ROUUACIJSA-N 2 1 304.503 3.241 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNc1nc2ccccc2n1C ZINC000342707621 433746871 /nfs/dbraw/zinc/74/68/71/433746871.db2.gz HGUYGIKZBSTGNR-OAHLLOKOSA-N 2 1 300.450 3.640 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000351848130 433752719 /nfs/dbraw/zinc/75/27/19/433752719.db2.gz CDFBSJQTCYYOML-YPMHNXCESA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000356901471 433755307 /nfs/dbraw/zinc/75/53/07/433755307.db2.gz PPPGQTJZRICGJI-ULQDDVLXSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000356901471 433755316 /nfs/dbraw/zinc/75/53/16/433755316.db2.gz PPPGQTJZRICGJI-ULQDDVLXSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000351857778 433757619 /nfs/dbraw/zinc/75/76/19/433757619.db2.gz YLIZIOAKZBOWPG-YJBOKZPZSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000356900335 433758926 /nfs/dbraw/zinc/75/89/26/433758926.db2.gz YOJXANVNKLBTIE-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000356900335 433758938 /nfs/dbraw/zinc/75/89/38/433758938.db2.gz YOJXANVNKLBTIE-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857047 433759130 /nfs/dbraw/zinc/75/91/30/433759130.db2.gz AVVGLNOVDOVRRZ-IEZWGBDMSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857047 433759137 /nfs/dbraw/zinc/75/91/37/433759137.db2.gz AVVGLNOVDOVRRZ-IEZWGBDMSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449131178 433724330 /nfs/dbraw/zinc/72/43/30/433724330.db2.gz KOTXWXAGUVNZAR-AOIWGVFYSA-N 2 1 309.542 3.064 20 0 DGADMP CCC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC000414659899 433774884 /nfs/dbraw/zinc/77/48/84/433774884.db2.gz UIVTZYVVNCTCDY-OAHLLOKOSA-N 2 1 322.468 3.477 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CCOCC2)CC1 ZINC000284036419 433824284 /nfs/dbraw/zinc/82/42/84/433824284.db2.gz JPKVOPHNMVSKPH-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414669157 433780871 /nfs/dbraw/zinc/78/08/71/433780871.db2.gz BJESMBUCEDFNER-MBOZVWFJSA-N 2 1 309.457 3.281 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000421869306 433787876 /nfs/dbraw/zinc/78/78/76/433787876.db2.gz DGNKSDDBNOXZOZ-PCODVIEZSA-N 3 1 315.505 3.284 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000421869306 433787885 /nfs/dbraw/zinc/78/78/85/433787885.db2.gz DGNKSDDBNOXZOZ-PCODVIEZSA-N 3 1 315.505 3.284 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC3(CC3)C2)CC1 ZINC000351916396 433789654 /nfs/dbraw/zinc/78/96/54/433789654.db2.gz ZIRAWZBPPZPAQM-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP Cc1ccnc(C)c1NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000351930071 433795941 /nfs/dbraw/zinc/79/59/41/433795941.db2.gz CWRDPIWPMQIJLB-MRXNPFEDSA-N 2 1 318.465 3.330 20 0 DGADMP CC(C)C1CCC([NH+]2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000414701518 433801412 /nfs/dbraw/zinc/80/14/12/433801412.db2.gz HOZZXENHZHVRLO-WBYGSUFKSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@@H]1C[C@H](C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC[NH2+]1 ZINC000414705397 433801641 /nfs/dbraw/zinc/80/16/41/433801641.db2.gz LNVSDVCXCJTTBE-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP CCOC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000414710373 433802990 /nfs/dbraw/zinc/80/29/90/433802990.db2.gz QABQRJIORVWSBI-YESZJQIVSA-N 2 1 318.461 3.001 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000283984562 433812114 /nfs/dbraw/zinc/81/21/14/433812114.db2.gz HBAJXGQPDPHZRQ-GUMHCPJTSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414837276 433875127 /nfs/dbraw/zinc/87/51/27/433875127.db2.gz JJUKFSORSLFLSL-GUYCJALGSA-N 2 1 321.440 3.040 20 0 DGADMP CCc1nc(NC[C@@H](c2cccs2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000339972869 433877155 /nfs/dbraw/zinc/87/71/55/433877155.db2.gz PBUPHWRMICGUJR-AWEZNQCLSA-N 2 1 316.474 3.658 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772872 433825688 /nfs/dbraw/zinc/82/56/88/433825688.db2.gz CRCWZOLSZNLRNB-IAGOWNOFSA-N 2 1 302.462 3.079 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772870 433825713 /nfs/dbraw/zinc/82/57/13/433825713.db2.gz CRCWZOLSZNLRNB-DLBZAZTESA-N 2 1 302.462 3.079 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343728023 433825916 /nfs/dbraw/zinc/82/59/16/433825916.db2.gz IXXBBLGQQUHKOR-QZTJIDSGSA-N 2 1 315.505 3.156 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(-c2ccncc2)c1 ZINC000414770593 433826686 /nfs/dbraw/zinc/82/66/86/433826686.db2.gz PCQUOPRLGIPXLK-BGYRXZFFSA-N 2 1 307.441 3.180 20 0 DGADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000284081235 433830779 /nfs/dbraw/zinc/83/07/79/433830779.db2.gz LVOUBDKOYGBVAJ-LJQANCHMSA-N 2 1 300.446 3.234 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc2n1 ZINC000414780006 433831410 /nfs/dbraw/zinc/83/14/10/433831410.db2.gz LAXJWKKWQROQPT-OALUTQOASA-N 2 1 309.457 3.365 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000414845412 433877615 /nfs/dbraw/zinc/87/76/15/433877615.db2.gz DJMWGQPRBXKSSR-MNOVXSKESA-N 2 1 304.331 3.322 20 0 DGADMP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000284081233 433832680 /nfs/dbraw/zinc/83/26/80/433832680.db2.gz LVOUBDKOYGBVAJ-IBGZPJMESA-N 2 1 300.446 3.234 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414789021 433834343 /nfs/dbraw/zinc/83/43/43/433834343.db2.gz XRWWATSNMAKUOD-MSOLQXFVSA-N 2 1 314.473 3.297 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CC4(CCOCC4)[C@H]3C3CC3)cc2)cn1 ZINC000293720698 433840412 /nfs/dbraw/zinc/84/04/12/433840412.db2.gz TXJQNFJFMWVIGF-LJQANCHMSA-N 2 1 323.440 3.263 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414798751 433845909 /nfs/dbraw/zinc/84/59/09/433845909.db2.gz FOUQFZJZJUEMGO-UHFFFAOYSA-N 2 1 313.445 3.268 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000414805938 433848194 /nfs/dbraw/zinc/84/81/94/433848194.db2.gz PIYKDAJQVSTAQB-UHFFFAOYSA-N 2 1 314.477 3.155 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414806721 433848265 /nfs/dbraw/zinc/84/82/65/433848265.db2.gz QDUGCLXJWSHEML-UHFFFAOYSA-N 2 1 304.356 3.235 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414814074 433853814 /nfs/dbraw/zinc/85/38/14/433853814.db2.gz YXYWLPWCTOXPPP-BXUZGUMPSA-N 2 1 307.488 3.479 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]([NH3+])c2ccccc2)C1 ZINC000414842202 433878160 /nfs/dbraw/zinc/87/81/60/433878160.db2.gz YTMDAILYPFZRBK-AHRSYUTCSA-N 2 1 309.457 3.112 20 0 DGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1SC ZINC000414840899 433878300 /nfs/dbraw/zinc/87/83/00/433878300.db2.gz MSSQPSDWPNFGNA-OAHLLOKOSA-N 2 1 308.491 3.414 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000414831676 433867090 /nfs/dbraw/zinc/86/70/90/433867090.db2.gz DJRZCTWQNBKSBX-GFCCVEGCSA-N 2 1 320.868 3.088 20 0 DGADMP CC[C@](C)(O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284242557 433869625 /nfs/dbraw/zinc/86/96/25/433869625.db2.gz VCWNGODZIRRZMM-ACBHZAAOSA-N 2 1 304.478 3.180 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCC1 ZINC000414876937 433899009 /nfs/dbraw/zinc/89/90/09/433899009.db2.gz LZZLRQMGLSQIOR-UHFFFAOYSA-N 2 1 324.350 3.067 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccccc2OC(F)(F)F)CCC[NH2+]C1 ZINC000414897067 433905318 /nfs/dbraw/zinc/90/53/18/433905318.db2.gz DDHPZKORHBWLDE-AWEZNQCLSA-N 2 1 302.340 3.065 20 0 DGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904502 433907426 /nfs/dbraw/zinc/90/74/26/433907426.db2.gz LUXIQVRQSHFXKI-GFCCVEGCSA-N 2 1 304.768 3.173 20 0 DGADMP [NH3+][C@H](C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)C1CC1 ZINC000414903415 433909101 /nfs/dbraw/zinc/90/91/01/433909101.db2.gz ZOLVUOODWYIQDP-OAHLLOKOSA-N 2 1 306.356 3.268 20 0 DGADMP CCCOc1c(C[NH2+]CC[C@H]2CCC[NH2+]2)cccc1OCC ZINC000414905428 433910481 /nfs/dbraw/zinc/91/04/81/433910481.db2.gz NRQQAHDMAGCZDG-MRXNPFEDSA-N 2 1 306.450 3.106 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000377544965 433911751 /nfs/dbraw/zinc/91/17/51/433911751.db2.gz WEFLAQHJIUFQNN-DILQNVEWSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000377544348 433913116 /nfs/dbraw/zinc/91/31/16/433913116.db2.gz UPXRVVOMJMYPIY-MKQDKFQKSA-N 2 1 306.400 3.285 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414929817 433921771 /nfs/dbraw/zinc/92/17/71/433921771.db2.gz PBJJAYFULMWABH-RDJZCZTQSA-N 2 1 317.477 3.080 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H](CO)c1ccccc1 ZINC000436262595 433921906 /nfs/dbraw/zinc/92/19/06/433921906.db2.gz QQMQPOXCUICQST-IBGZPJMESA-N 2 1 307.397 3.038 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436275207 433923519 /nfs/dbraw/zinc/92/35/19/433923519.db2.gz YHQTXHJSQCLHRD-CQSZACIVSA-N 2 1 318.490 3.492 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436275207 433923529 /nfs/dbraw/zinc/92/35/29/433923529.db2.gz YHQTXHJSQCLHRD-CQSZACIVSA-N 2 1 318.490 3.492 20 0 DGADMP CCCCCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000414949143 433931370 /nfs/dbraw/zinc/93/13/70/433931370.db2.gz NCGZBIIQYVGERJ-WBVHZDCISA-N 2 1 320.477 3.494 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623598 433931995 /nfs/dbraw/zinc/93/19/95/433931995.db2.gz FPOMDEYEBRIUPV-IHPCNDPISA-N 2 1 319.537 3.079 20 0 DGADMP Cc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)sc1Br ZINC000414853827 433881652 /nfs/dbraw/zinc/88/16/52/433881652.db2.gz TZMPHPACSZWSFE-JTQLQIEISA-N 2 1 305.285 3.282 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414857374 433888502 /nfs/dbraw/zinc/88/85/02/433888502.db2.gz PIJOQTGPYPNCLN-DZGCQCFKSA-N 2 1 318.852 3.003 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(C(=O)OC)cc2)C1 ZINC000293842811 433890830 /nfs/dbraw/zinc/89/08/30/433890830.db2.gz SYRBFWPCWWQFEP-QAPCUYQASA-N 2 1 318.461 3.246 20 0 DGADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866575 433891349 /nfs/dbraw/zinc/89/13/49/433891349.db2.gz NFDABRSJAPOJTM-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414861231 433892146 /nfs/dbraw/zinc/89/21/46/433892146.db2.gz WFPBOATZTMYDOM-QWRGUYRKSA-N 2 1 317.260 3.480 20 0 DGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377649638 433943215 /nfs/dbraw/zinc/94/32/15/433943215.db2.gz IDRWIHNJQFULBH-ICSRJNTNSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414965576 433943442 /nfs/dbraw/zinc/94/34/42/433943442.db2.gz NKZNBSZPGZJHRN-YZGWKJHDSA-N 3 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414965576 433943451 /nfs/dbraw/zinc/94/34/51/433943451.db2.gz NKZNBSZPGZJHRN-YZGWKJHDSA-N 3 1 315.505 3.161 20 0 DGADMP c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC000293964606 433944301 /nfs/dbraw/zinc/94/43/01/433944301.db2.gz QCQPHIOFVRIGBN-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC000293964606 433944312 /nfs/dbraw/zinc/94/43/12/433944312.db2.gz QCQPHIOFVRIGBN-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377649642 433945203 /nfs/dbraw/zinc/94/52/03/433945203.db2.gz IDRWIHNJQFULBH-UYAOXDASSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422718173 433946263 /nfs/dbraw/zinc/94/62/63/433946263.db2.gz PGAZXEHAJPBRIM-NQERJWCQSA-N 2 1 321.468 3.168 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721105 433950114 /nfs/dbraw/zinc/95/01/14/433950114.db2.gz UNFZNRAPFJAVCP-RBUKOAKNSA-N 3 1 301.478 3.377 20 0 DGADMP N[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721105 433950120 /nfs/dbraw/zinc/95/01/20/433950120.db2.gz UNFZNRAPFJAVCP-RBUKOAKNSA-N 2 1 301.478 3.377 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414973271 433950939 /nfs/dbraw/zinc/95/09/39/433950939.db2.gz CBFVIFOAVKRXAB-MRXNPFEDSA-N 2 1 302.393 3.232 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340172824 433952835 /nfs/dbraw/zinc/95/28/35/433952835.db2.gz NJSNNCCQZCHKAV-OALUTQOASA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340172824 433952843 /nfs/dbraw/zinc/95/28/43/433952843.db2.gz NJSNNCCQZCHKAV-OALUTQOASA-N 2 1 324.472 3.073 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000422728687 433957297 /nfs/dbraw/zinc/95/72/97/433957297.db2.gz GOLDXHVIQMILPH-QYZOEREBSA-N 2 1 303.494 3.101 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422738145 433959409 /nfs/dbraw/zinc/95/94/09/433959409.db2.gz JGNBRBVRNJHLOA-MAUKXSAKSA-N 2 1 318.509 3.154 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422738145 433959413 /nfs/dbraw/zinc/95/94/13/433959413.db2.gz JGNBRBVRNJHLOA-MAUKXSAKSA-N 2 1 318.509 3.154 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422738576 433963307 /nfs/dbraw/zinc/96/33/07/433963307.db2.gz JWARRKOFBZBLEN-BVBHFADKSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422738576 433963317 /nfs/dbraw/zinc/96/33/17/433963317.db2.gz JWARRKOFBZBLEN-BVBHFADKSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743664 433966840 /nfs/dbraw/zinc/96/68/40/433966840.db2.gz IWGNLPDKJNGVAB-FUHIMQAGSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415005279 433970285 /nfs/dbraw/zinc/97/02/85/433970285.db2.gz RJIZZBKGZYYQEE-AAEUAGOBSA-N 2 1 302.796 3.105 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422745398 433970354 /nfs/dbraw/zinc/97/03/54/433970354.db2.gz UZYPHAVLLWCGEM-OJAHFUOMSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422746319 433973930 /nfs/dbraw/zinc/97/39/30/433973930.db2.gz NSKHNOKKFAOZAR-SWLSCSKDSA-N 2 1 323.278 3.211 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3COc4ccccc4C3)CC[NH2+]2)cc1 ZINC000415074977 433974280 /nfs/dbraw/zinc/97/42/80/433974280.db2.gz DIAZXHWNERKYBO-QYZOEREBSA-N 2 1 308.425 3.073 20 0 DGADMP CC(C)(C)C1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000436471106 433974735 /nfs/dbraw/zinc/97/47/35/433974735.db2.gz RMTQATNRFFEIRM-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP CN1CCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285518015 433979136 /nfs/dbraw/zinc/97/91/36/433979136.db2.gz AYWPLHYYLGIPKR-SOAGJPPSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000422775221 433990039 /nfs/dbraw/zinc/99/00/39/433990039.db2.gz ARRGIOGEXQUIRI-YDZRNGNQSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422790093 434003992 /nfs/dbraw/zinc/00/39/92/434003992.db2.gz USLPJGSLYOBKAG-DZKIICNBSA-N 2 1 307.869 3.039 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340239418 434005689 /nfs/dbraw/zinc/00/56/89/434005689.db2.gz NNLYBCUDIBHNMM-ZWKOTPCHSA-N 2 1 308.510 3.316 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340239417 434007860 /nfs/dbraw/zinc/00/78/60/434007860.db2.gz NNLYBCUDIBHNMM-ROUUACIJSA-N 2 1 308.510 3.316 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796760 434012087 /nfs/dbraw/zinc/01/20/87/434012087.db2.gz YYTRHOWZLIDUOG-WOJBJXKFSA-N 3 1 315.505 3.422 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000285611685 434012490 /nfs/dbraw/zinc/01/24/90/434012490.db2.gz KHDLIQBNLIXQEC-CABCVRRESA-N 2 1 306.450 3.005 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000285611696 434013202 /nfs/dbraw/zinc/01/32/02/434013202.db2.gz KHDLIQBNLIXQEC-LSDHHAIUSA-N 2 1 306.450 3.005 20 0 DGADMP CCOCc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422804281 434016036 /nfs/dbraw/zinc/01/60/36/434016036.db2.gz HEXOQYOWQKSXPH-OXJNMPFZSA-N 2 1 312.457 3.271 20 0 DGADMP CN(CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000422804211 434018305 /nfs/dbraw/zinc/01/83/05/434018305.db2.gz DVWNFZPSQYKSMV-UYAOXDASSA-N 2 1 309.457 3.206 20 0 DGADMP Cc1cccc(Oc2cc(C[NH2+][C@@H](C)C3C[NH2+]C3)ccn2)c1C ZINC000422809474 434020866 /nfs/dbraw/zinc/02/08/66/434020866.db2.gz PWTQIXYPATZEHD-HNNXBMFYSA-N 2 1 311.429 3.188 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840160 434044882 /nfs/dbraw/zinc/04/48/82/434044882.db2.gz SCXQZBPNHAVDCV-NXHRZFHOSA-N 2 1 321.534 3.210 20 0 DGADMP CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840925 434045233 /nfs/dbraw/zinc/04/52/33/434045233.db2.gz UVDJEUDRDIHFOA-GTAWCEEGSA-N 2 1 315.505 3.160 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340221327 433994244 /nfs/dbraw/zinc/99/42/44/433994244.db2.gz HZENGSURYOPSSS-RBUKOAKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340221327 433994257 /nfs/dbraw/zinc/99/42/57/433994257.db2.gz HZENGSURYOPSSS-RBUKOAKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340221327 433994264 /nfs/dbraw/zinc/99/42/64/433994264.db2.gz HZENGSURYOPSSS-RBUKOAKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340224959 433996094 /nfs/dbraw/zinc/99/60/94/433996094.db2.gz FLWQVEJAAPSNBC-UHOSZYNNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340224959 433996103 /nfs/dbraw/zinc/99/61/03/433996103.db2.gz FLWQVEJAAPSNBC-UHOSZYNNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340224959 433996109 /nfs/dbraw/zinc/99/61/09/433996109.db2.gz FLWQVEJAAPSNBC-UHOSZYNNSA-N 2 1 303.494 3.142 20 0 DGADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000422787776 433998735 /nfs/dbraw/zinc/99/87/35/433998735.db2.gz QIZYAUOQKGOZEX-ZBEGNZNMSA-N 2 1 305.809 3.186 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000285581325 434002806 /nfs/dbraw/zinc/00/28/06/434002806.db2.gz IQXOPWWOTBUSCW-NSHDSACASA-N 2 1 324.490 3.495 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[NH2+]1 ZINC000414961773 293896099 /nfs/dbraw/zinc/89/60/99/293896099.db2.gz ZCNNHDKCGURTHD-DOTOQJQBSA-N 2 1 310.445 3.080 20 0 DGADMP Cc1cc(N)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414963137 293896441 /nfs/dbraw/zinc/89/64/41/293896441.db2.gz KQXUAFBNZAMVGJ-UHFFFAOYSA-N 2 1 309.457 3.331 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867929 434068984 /nfs/dbraw/zinc/06/89/84/434068984.db2.gz UEARNZUMRKQZPA-GUYCJALGSA-N 2 1 318.490 3.289 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422877438 434070848 /nfs/dbraw/zinc/07/08/48/434070848.db2.gz HSUPWTYCALNYAW-XMMKGJGBSA-N 2 1 301.478 3.087 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340349690 434080846 /nfs/dbraw/zinc/08/08/46/434080846.db2.gz FEGVTEQJKXQWOT-RTBURBONSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340349690 434080860 /nfs/dbraw/zinc/08/08/60/434080860.db2.gz FEGVTEQJKXQWOT-RTBURBONSA-N 3 1 315.505 3.143 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000422888079 434086065 /nfs/dbraw/zinc/08/60/65/434086065.db2.gz LXJGYVMNDGBVNM-MSOLQXFVSA-N 2 1 312.461 3.109 20 0 DGADMP Fc1ccc(Oc2ccnc(C[NH2+][C@H]3CCC[NH2+]CC3)c2)cc1 ZINC000422890297 434088527 /nfs/dbraw/zinc/08/85/27/434088527.db2.gz RQQIAIKVWJLVFQ-HNNXBMFYSA-N 2 1 315.392 3.245 20 0 DGADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422895538 434091112 /nfs/dbraw/zinc/09/11/12/434091112.db2.gz FZVNTLBYUJAAGN-PXNSSMCTSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000294347930 434095600 /nfs/dbraw/zinc/09/56/00/434095600.db2.gz SKFBTHTWUQMVGX-ZDUSSCGKSA-N 2 1 312.404 3.272 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719904 434096859 /nfs/dbraw/zinc/09/68/59/434096859.db2.gz LVXXWEYMAHXHDK-AABGKKOBSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309719904 434096877 /nfs/dbraw/zinc/09/68/77/434096877.db2.gz LVXXWEYMAHXHDK-AABGKKOBSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309719904 434096885 /nfs/dbraw/zinc/09/68/85/434096885.db2.gz LVXXWEYMAHXHDK-AABGKKOBSA-N 2 1 315.505 3.006 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840929 434047693 /nfs/dbraw/zinc/04/76/93/434047693.db2.gz UVDJEUDRDIHFOA-RNQOJCNYSA-N 2 1 315.505 3.160 20 0 DGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340302334 434049015 /nfs/dbraw/zinc/04/90/15/434049015.db2.gz QZGLDVLVNMWJEY-GTAWCEEGSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340302334 434049020 /nfs/dbraw/zinc/04/90/20/434049020.db2.gz QZGLDVLVNMWJEY-GTAWCEEGSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340302334 434049033 /nfs/dbraw/zinc/04/90/33/434049033.db2.gz QZGLDVLVNMWJEY-GTAWCEEGSA-N 2 1 315.505 3.140 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)n[nH]1 ZINC000340307357 434049075 /nfs/dbraw/zinc/04/90/75/434049075.db2.gz WHWOSAUDASFVNZ-FNHZYXHNSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[nH]n1 ZINC000340307357 434049085 /nfs/dbraw/zinc/04/90/85/434049085.db2.gz WHWOSAUDASFVNZ-FNHZYXHNSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[nH]n1 ZINC000340307357 434049098 /nfs/dbraw/zinc/04/90/98/434049098.db2.gz WHWOSAUDASFVNZ-FNHZYXHNSA-N 2 1 312.461 3.074 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340307599 434050982 /nfs/dbraw/zinc/05/09/82/434050982.db2.gz HMXHZWBAGWGPON-UXHICEINSA-N 2 1 309.457 3.439 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340307599 434050989 /nfs/dbraw/zinc/05/09/89/434050989.db2.gz HMXHZWBAGWGPON-UXHICEINSA-N 2 1 309.457 3.439 20 0 DGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422850052 434051289 /nfs/dbraw/zinc/05/12/89/434051289.db2.gz CRLYDCMTDPALHA-ZWKOTPCHSA-N 2 1 320.477 3.160 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340310272 434052938 /nfs/dbraw/zinc/05/29/38/434052938.db2.gz LILSFDABTJGOKM-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340310272 434052949 /nfs/dbraw/zinc/05/29/49/434052949.db2.gz LILSFDABTJGOKM-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340318057 434053866 /nfs/dbraw/zinc/05/38/66/434053866.db2.gz SUOYFBWSBZNWQH-QRVBRYPASA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340318057 434053877 /nfs/dbraw/zinc/05/38/77/434053877.db2.gz SUOYFBWSBZNWQH-QRVBRYPASA-N 2 1 316.489 3.209 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852772 434057520 /nfs/dbraw/zinc/05/75/20/434057520.db2.gz BHHAEZAHFQKGBN-MBOZVWFJSA-N 2 1 315.505 3.291 20 0 DGADMP Cc1sccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000294252524 434057582 /nfs/dbraw/zinc/05/75/82/434057582.db2.gz UQMDNDNLXDUDHS-UHFFFAOYSA-N 2 1 316.470 3.179 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397962 434106113 /nfs/dbraw/zinc/10/61/13/434106113.db2.gz WFKHKRYTEBJFJT-ZWKOTPCHSA-N 2 1 318.461 3.388 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397962 434106119 /nfs/dbraw/zinc/10/61/19/434106119.db2.gz WFKHKRYTEBJFJT-ZWKOTPCHSA-N 2 1 318.461 3.388 20 0 DGADMP C[N@@H+]1CC[C@@H](NCc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397433 434106365 /nfs/dbraw/zinc/10/63/65/434106365.db2.gz ZWUVFHCTSUGXGP-UYAOXDASSA-N 2 1 320.440 3.259 20 0 DGADMP C[N@H+]1CC[C@@H](NCc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397433 434106370 /nfs/dbraw/zinc/10/63/70/434106370.db2.gz ZWUVFHCTSUGXGP-UYAOXDASSA-N 2 1 320.440 3.259 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1nc(-c2ccncc2)cs1 ZINC000422913618 434108146 /nfs/dbraw/zinc/10/81/46/434108146.db2.gz QMOGSXWVLZYZPY-VNHYZAJKSA-N 2 1 316.474 3.244 20 0 DGADMP COC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000422919713 434108530 /nfs/dbraw/zinc/10/85/30/434108530.db2.gz KESRJOLDGKROEG-OLMNPRSZSA-N 2 1 308.441 3.414 20 0 DGADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1cccc(Cl)c1 ZINC000422921298 434110761 /nfs/dbraw/zinc/11/07/61/434110761.db2.gz PMQIEBNOWLGTQR-MEDUHNTESA-N 2 1 305.809 3.186 20 0 DGADMP CCc1c(C)[nH+]c2ccccc2c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000357656292 434117364 /nfs/dbraw/zinc/11/73/64/434117364.db2.gz CZNFQPXDAATZCU-UHFFFAOYSA-N 2 1 321.428 3.155 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000340393837 434101128 /nfs/dbraw/zinc/10/11/28/434101128.db2.gz HGZSLVHAJHSBST-YESZJQIVSA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000340393837 434101140 /nfs/dbraw/zinc/10/11/40/434101140.db2.gz HGZSLVHAJHSBST-YESZJQIVSA-N 2 1 312.498 3.207 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000498596393 294065502 /nfs/dbraw/zinc/06/55/02/294065502.db2.gz PMBPPYDRIFEVBK-OKYOBFRVSA-N 2 1 308.510 3.458 20 0 DGADMP Brc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422943085 434126208 /nfs/dbraw/zinc/12/62/08/434126208.db2.gz JZBGNAXXTQBTHY-YIONKMFJSA-N 2 1 321.262 3.311 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccccc2)CC1 ZINC000501794955 294150385 /nfs/dbraw/zinc/15/03/85/294150385.db2.gz YPJNVIXHCXKMST-UHFFFAOYSA-N 2 1 318.505 3.300 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)C2)cc1F ZINC000503907786 294204117 /nfs/dbraw/zinc/20/41/17/294204117.db2.gz JARQQYALJKVEBC-MMTVNHQJSA-N 2 1 306.425 3.010 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)C2)cc1F ZINC000503907786 294204120 /nfs/dbraw/zinc/20/41/20/294204120.db2.gz JARQQYALJKVEBC-MMTVNHQJSA-N 2 1 306.425 3.010 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000506850912 294277790 /nfs/dbraw/zinc/27/77/90/294277790.db2.gz JENGCIPATXVXQH-UHFFFAOYSA-N 2 1 318.461 3.359 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(Cl)c1 ZINC000422950690 434131857 /nfs/dbraw/zinc/13/18/57/434131857.db2.gz WNISKUSJVOBLNO-KDOFPFPSSA-N 2 1 318.848 3.267 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCOC1 ZINC000507485117 294300805 /nfs/dbraw/zinc/30/08/05/294300805.db2.gz KTWNJPCKQVNANH-UHOSZYNNSA-N 2 1 308.510 3.436 20 0 DGADMP c1coc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000507481476 294300886 /nfs/dbraw/zinc/30/08/86/294300886.db2.gz CWBHJJKBDBMXOZ-YSIASYRMSA-N 2 1 310.441 3.322 20 0 DGADMP C[C@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000313702759 434130172 /nfs/dbraw/zinc/13/01/72/434130172.db2.gz RLQJUPMFOXEXOZ-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709566 294330788 /nfs/dbraw/zinc/33/07/88/294330788.db2.gz HYLUOOQBPWTTCJ-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709566 294330790 /nfs/dbraw/zinc/33/07/90/294330790.db2.gz HYLUOOQBPWTTCJ-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709566 294330791 /nfs/dbraw/zinc/33/07/91/294330791.db2.gz HYLUOOQBPWTTCJ-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000509960087 294370130 /nfs/dbraw/zinc/37/01/30/294370130.db2.gz YVGZXVLCQMBVEM-KXBFYZLASA-N 2 1 304.478 3.423 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000353436514 434134657 /nfs/dbraw/zinc/13/46/57/434134657.db2.gz CFOLLBSCYKKWAS-USXIJHARSA-N 2 1 318.461 3.290 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000353436514 434134665 /nfs/dbraw/zinc/13/46/65/434134665.db2.gz CFOLLBSCYKKWAS-USXIJHARSA-N 2 1 318.461 3.290 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457449 434138939 /nfs/dbraw/zinc/13/89/39/434138939.db2.gz WMXTYNGSGJJHIJ-OFQRWUPVSA-N 2 1 316.424 3.145 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457449 434138944 /nfs/dbraw/zinc/13/89/44/434138944.db2.gz WMXTYNGSGJJHIJ-OFQRWUPVSA-N 2 1 316.424 3.145 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3occc3c2)CCCO1 ZINC000286044386 434145051 /nfs/dbraw/zinc/14/50/51/434145051.db2.gz QUSIRLAVVRILMA-HNNXBMFYSA-N 2 1 302.418 3.023 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC000314565943 434145600 /nfs/dbraw/zinc/14/56/00/434145600.db2.gz CAOGFXRYIOZUHJ-IHRRRGAJSA-N 2 1 310.404 3.052 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000340500337 434165684 /nfs/dbraw/zinc/16/56/84/434165684.db2.gz GFEKOXCUGGCDEC-BTRQGYIVSA-N 2 1 316.489 3.179 20 0 DGADMP N[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000422999663 434156664 /nfs/dbraw/zinc/15/66/64/434156664.db2.gz YDDBOJQVMBHQLO-VQTJNVASSA-N 2 1 322.456 3.032 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002583 434158260 /nfs/dbraw/zinc/15/82/60/434158260.db2.gz JQDJGOJLAMJXBA-HBFSDRIKSA-N 3 1 317.521 3.394 20 0 DGADMP CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000423010110 434161961 /nfs/dbraw/zinc/16/19/61/434161961.db2.gz WZPCQTCMSQIAMV-CXAGYDPISA-N 2 1 317.433 3.042 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450433895 434175488 /nfs/dbraw/zinc/17/54/88/434175488.db2.gz FQRPDRFVAHIHRR-OALUTQOASA-N 2 1 307.526 3.057 20 0 DGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)sc1C ZINC000353492058 434176676 /nfs/dbraw/zinc/17/66/76/434176676.db2.gz NFVWHDFMVVXZIN-NUEKZKHPSA-N 2 1 307.507 3.019 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc2cccnc12 ZINC000346180591 434179603 /nfs/dbraw/zinc/17/96/03/434179603.db2.gz UETAYAKVVOJLJY-OALUTQOASA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180591 434179613 /nfs/dbraw/zinc/17/96/13/434179613.db2.gz UETAYAKVVOJLJY-OALUTQOASA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180591 434179620 /nfs/dbraw/zinc/17/96/20/434179620.db2.gz UETAYAKVVOJLJY-OALUTQOASA-N 2 1 309.457 3.459 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450439798 434181489 /nfs/dbraw/zinc/18/14/89/434181489.db2.gz OLABCSRMWUDKGG-PMACEKPBSA-N 2 1 316.489 3.052 20 0 DGADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423045165 434185862 /nfs/dbraw/zinc/18/58/62/434185862.db2.gz CKTBJIZOHWNTLD-JIRNRHONSA-N 2 1 315.505 3.016 20 0 DGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423045165 434185873 /nfs/dbraw/zinc/18/58/73/434185873.db2.gz CKTBJIZOHWNTLD-JIRNRHONSA-N 2 1 315.505 3.016 20 0 DGADMP CC(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423047778 434188165 /nfs/dbraw/zinc/18/81/65/434188165.db2.gz GZAVSXNXTFZBRL-IPMKNSEASA-N 2 1 302.462 3.057 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000363940438 434189315 /nfs/dbraw/zinc/18/93/15/434189315.db2.gz SYFMCYWLDAHZIT-LNLFQRSKSA-N 2 1 318.509 3.156 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000316468466 434189578 /nfs/dbraw/zinc/18/95/78/434189578.db2.gz SRZGZQNAUDWMBL-MRXNPFEDSA-N 2 1 304.478 3.338 20 0 DGADMP C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1c[nH+]ccc1N ZINC000423065828 434197254 /nfs/dbraw/zinc/19/72/54/434197254.db2.gz VGFUHGCNZUBMPG-SMDDNHRTSA-N 2 1 309.335 3.491 20 0 DGADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000363992506 434199938 /nfs/dbraw/zinc/19/99/38/434199938.db2.gz AYMRFSAAZCFWIA-PMACEKPBSA-N 2 1 316.489 3.451 20 0 DGADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000363992507 434200622 /nfs/dbraw/zinc/20/06/22/434200622.db2.gz AYMRFSAAZCFWIA-UXHICEINSA-N 2 1 316.489 3.451 20 0 DGADMP COCC[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286224799 434201078 /nfs/dbraw/zinc/20/10/78/434201078.db2.gz SOHPZVNEBARMEU-IPJUCJBFSA-N 2 1 304.478 3.444 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423066403 434201377 /nfs/dbraw/zinc/20/13/77/434201377.db2.gz WVPSRRYHJNRSTI-SLFFLAALSA-N 3 1 315.505 3.147 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000353532335 434206236 /nfs/dbraw/zinc/20/62/36/434206236.db2.gz WGFJUCRINRORLD-MHJFOBGBSA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc([C@@H]2C[C@H](NC[C@@H]3CCCC[N@H+]3C3CC3)CC[NH2+]2)cc1 ZINC000423080648 434209851 /nfs/dbraw/zinc/20/98/51/434209851.db2.gz ZRFCCPZIAQJIKH-HOJAQTOUSA-N 2 1 313.489 3.086 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353543265 434213039 /nfs/dbraw/zinc/21/30/39/434213039.db2.gz BBGKKHGCSQNYGL-DLBZAZTESA-N 2 1 324.509 3.210 20 0 DGADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423090502 434213146 /nfs/dbraw/zinc/21/31/46/434213146.db2.gz XVCPNMNZNUPYQU-TVFCKZIOSA-N 3 1 307.526 3.007 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423090502 434213158 /nfs/dbraw/zinc/21/31/58/434213158.db2.gz XVCPNMNZNUPYQU-TVFCKZIOSA-N 3 1 307.526 3.007 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCCCOC)cc2)CC1 ZINC000286366332 434245287 /nfs/dbraw/zinc/24/52/87/434245287.db2.gz AADKYIHBEQQQJE-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000321112775 434246472 /nfs/dbraw/zinc/24/64/72/434246472.db2.gz ZIZWBGZCIYVIAC-HZPDHXFCSA-N 2 1 320.477 3.476 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(COC)CC2)c1 ZINC000295188980 434246765 /nfs/dbraw/zinc/24/67/65/434246765.db2.gz NSNRRKIXKMBDTD-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000423153962 434252089 /nfs/dbraw/zinc/25/20/89/434252089.db2.gz OICHQKSRXXFIQL-MRXNPFEDSA-N 2 1 314.477 3.314 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1COc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000379647161 434257998 /nfs/dbraw/zinc/25/79/98/434257998.db2.gz JZRFZFDSEFYEFF-FXAWDEMLSA-N 2 1 324.468 3.490 20 0 DGADMP COC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159879 434258561 /nfs/dbraw/zinc/25/85/61/434258561.db2.gz YPVJYCDBGBZXRW-LXZKKBNFSA-N 2 1 310.869 3.190 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000295213070 434260563 /nfs/dbraw/zinc/26/05/63/434260563.db2.gz LWHIMDZDDQQYHE-SFHVURJKSA-N 2 1 311.429 3.038 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000295213070 434260572 /nfs/dbraw/zinc/26/05/72/434260572.db2.gz LWHIMDZDDQQYHE-SFHVURJKSA-N 2 1 311.429 3.038 20 0 DGADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OC)c(OC)c1 ZINC000423176658 434265371 /nfs/dbraw/zinc/26/53/71/434265371.db2.gz HRJIXAIQHNQEGN-HNNXBMFYSA-N 2 1 306.450 3.406 20 0 DGADMP Cc1ccc(Br)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423176951 434265647 /nfs/dbraw/zinc/26/56/47/434265647.db2.gz GTKZTOJUFSWZDS-WFASDCNBSA-N 2 1 311.267 3.235 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc(OC)c1OC ZINC000423188446 434270776 /nfs/dbraw/zinc/27/07/76/434270776.db2.gz ZEYPEYWVUHAPKX-CYBMUJFWSA-N 2 1 322.449 3.025 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423193866 434275060 /nfs/dbraw/zinc/27/50/60/434275060.db2.gz XGHQLOFAFOTSKD-LBPRGKRZSA-N 2 1 318.852 3.237 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106052 434223074 /nfs/dbraw/zinc/22/30/74/434223074.db2.gz JHNWMOFVHCOZCN-GYFISPQKSA-N 2 1 302.462 3.068 20 0 DGADMP C[C@](CO)(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423111570 434223161 /nfs/dbraw/zinc/22/31/61/434223161.db2.gz QPOWTFPVGQKAOB-NJDAHSKKSA-N 2 1 324.468 3.020 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCCC34CCOCC4)CC[NH2+]2)cc1 ZINC000423113238 434224008 /nfs/dbraw/zinc/22/40/08/434224008.db2.gz KQOKAZRYLFCZIN-GBESFXJTSA-N 2 1 314.473 3.419 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000353563593 434229561 /nfs/dbraw/zinc/22/95/61/434229561.db2.gz FQMQDPGVMQFLPI-CRAIPNDOSA-N 2 1 310.457 3.092 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000353563593 434229567 /nfs/dbraw/zinc/22/95/67/434229567.db2.gz FQMQDPGVMQFLPI-CRAIPNDOSA-N 2 1 310.457 3.092 20 0 DGADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccc2s1 ZINC000423120310 434233929 /nfs/dbraw/zinc/23/39/29/434233929.db2.gz GBJQUNGBDHKJTB-ZACQAIPSSA-N 2 1 316.470 3.148 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423126937 434237384 /nfs/dbraw/zinc/23/73/84/434237384.db2.gz BGXHVJSRLIJXFU-OLZOCXBDSA-N 2 1 302.340 3.177 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c2)cn1 ZINC000353624641 434281680 /nfs/dbraw/zinc/28/16/80/434281680.db2.gz UHOUVDSMQXPLNM-SLFFLAALSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384582050 434295533 /nfs/dbraw/zinc/29/55/33/434295533.db2.gz KUROWIJDHSHDRN-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP CSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000358026426 434296167 /nfs/dbraw/zinc/29/61/67/434296167.db2.gz BKYXRGAYGALDCN-IXDOHACOSA-N 2 1 320.502 3.092 20 0 DGADMP C[C@@H](C1CC1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000385567492 434297392 /nfs/dbraw/zinc/29/73/92/434297392.db2.gz OKJYJTSGGZETQM-ZDUSSCGKSA-N 2 1 314.433 3.064 20 0 DGADMP C[C@@H](C1CC1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000385567492 434297401 /nfs/dbraw/zinc/29/74/01/434297401.db2.gz OKJYJTSGGZETQM-ZDUSSCGKSA-N 2 1 314.433 3.064 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000358034559 434299765 /nfs/dbraw/zinc/29/97/65/434299765.db2.gz AAEWAGZNJSEXQF-KRWDZBQOSA-N 2 1 322.518 3.341 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000358034560 434301055 /nfs/dbraw/zinc/30/10/55/434301055.db2.gz AAEWAGZNJSEXQF-QGZVFWFLSA-N 2 1 322.518 3.341 20 0 DGADMP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818116 434311915 /nfs/dbraw/zinc/31/19/15/434311915.db2.gz FRHMRPCIGKWEHB-SLFFLAALSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818116 434311922 /nfs/dbraw/zinc/31/19/22/434311922.db2.gz FRHMRPCIGKWEHB-SLFFLAALSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)c2cccc(Br)c21 ZINC000423267249 434323233 /nfs/dbraw/zinc/32/32/33/434323233.db2.gz CPKKNXGRSLPTAC-IIMNLJJBSA-N 2 1 309.251 3.324 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287293782 434324794 /nfs/dbraw/zinc/32/47/94/434324794.db2.gz KFZLSDXZAIDMPM-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000287293782 434324802 /nfs/dbraw/zinc/32/48/02/434324802.db2.gz KFZLSDXZAIDMPM-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366076589 434328958 /nfs/dbraw/zinc/32/89/58/434328958.db2.gz ZMNFWAPBIXIPKU-BRSBDYLESA-N 2 1 318.509 3.156 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000366076589 434328966 /nfs/dbraw/zinc/32/89/66/434328966.db2.gz ZMNFWAPBIXIPKU-BRSBDYLESA-N 2 1 318.509 3.156 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000517537235 294677901 /nfs/dbraw/zinc/67/79/01/294677901.db2.gz MLZPZMOVVQLVKI-IAGOWNOFSA-N 2 1 314.473 3.420 20 0 DGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423270132 434330505 /nfs/dbraw/zinc/33/05/05/434330505.db2.gz GDCQQHLZYYQMLK-GJZGRUSLSA-N 2 1 309.251 3.153 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@@H]1C[C@@H]1C ZINC000423323359 434361067 /nfs/dbraw/zinc/36/10/67/434361067.db2.gz HFXGAVQZTCHUNZ-QHWILLEASA-N 2 1 302.462 3.165 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390590521 434361764 /nfs/dbraw/zinc/36/17/64/434361764.db2.gz RXDNLDICPFMEDG-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390590521 434361777 /nfs/dbraw/zinc/36/17/77/434361777.db2.gz RXDNLDICPFMEDG-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000390552475 434362477 /nfs/dbraw/zinc/36/24/77/434362477.db2.gz KNEVXZYWECDMBM-FQEVSTJZSA-N 2 1 316.489 3.447 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000390552475 434362486 /nfs/dbraw/zinc/36/24/86/434362486.db2.gz KNEVXZYWECDMBM-FQEVSTJZSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557143 434363415 /nfs/dbraw/zinc/36/34/15/434363415.db2.gz LRYYRIVENQLCQK-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557143 434363420 /nfs/dbraw/zinc/36/34/20/434363420.db2.gz LRYYRIVENQLCQK-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000390742231 434364552 /nfs/dbraw/zinc/36/45/52/434364552.db2.gz CUHQJNCIOHQMCG-YSIASYRMSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390627596 434367974 /nfs/dbraw/zinc/36/79/74/434367974.db2.gz DLJMCWAERRIBER-PKOBYXMFSA-N 3 1 317.521 3.394 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390627596 434367981 /nfs/dbraw/zinc/36/79/81/434367981.db2.gz DLJMCWAERRIBER-PKOBYXMFSA-N 3 1 317.521 3.394 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)O1 ZINC000390711680 434367997 /nfs/dbraw/zinc/36/79/97/434367997.db2.gz WXSHQPNQHLMBHW-FPAYPSAMSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)O1 ZINC000390711680 434368003 /nfs/dbraw/zinc/36/80/03/434368003.db2.gz WXSHQPNQHLMBHW-FPAYPSAMSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390870961 434374269 /nfs/dbraw/zinc/37/42/69/434374269.db2.gz JNDHVRQRKHQSFH-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390870961 434374277 /nfs/dbraw/zinc/37/42/77/434374277.db2.gz JNDHVRQRKHQSFH-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423360731 434379683 /nfs/dbraw/zinc/37/96/83/434379683.db2.gz QPRHGLDESGCMAE-YJBOKZPZSA-N 2 1 317.477 3.091 20 0 DGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423275330 434334741 /nfs/dbraw/zinc/33/47/41/434334741.db2.gz LQQNGWSVASHADQ-KBPBESRZSA-N 2 1 309.251 3.072 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423279650 434336292 /nfs/dbraw/zinc/33/62/92/434336292.db2.gz RWLDIOSQIVRVQU-POZUXBRTSA-N 3 1 312.461 3.349 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423276333 434336449 /nfs/dbraw/zinc/33/64/49/434336449.db2.gz OIULEZUMJWQNNH-UONOGXRCSA-N 2 1 315.230 3.148 20 0 DGADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423283804 434337097 /nfs/dbraw/zinc/33/70/97/434337097.db2.gz WHLGBRLJSRKRNS-LNFBDUAVSA-N 2 1 302.462 3.290 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423286743 434338661 /nfs/dbraw/zinc/33/86/61/434338661.db2.gz IMTKBOSVMUYEGD-LLVKDONJSA-N 2 1 303.269 3.289 20 0 DGADMP C[N@@H+](Cc1ccsc1Br)CC1CC[NH+](C)CC1 ZINC000388994160 434340652 /nfs/dbraw/zinc/34/06/52/434340652.db2.gz HUGNPODBKLLRIZ-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP C[N@H+](Cc1ccsc1Br)CC1CC[NH+](C)CC1 ZINC000388994160 434340658 /nfs/dbraw/zinc/34/06/58/434340658.db2.gz HUGNPODBKLLRIZ-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423285239 434340730 /nfs/dbraw/zinc/34/07/30/434340730.db2.gz ZGJSINQSEDEGNW-ZJUUUORDSA-N 2 1 303.219 3.094 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287383394 434350277 /nfs/dbraw/zinc/35/02/77/434350277.db2.gz IIUFGMKGLXTOKS-ATLSCFEFSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287383394 434350284 /nfs/dbraw/zinc/35/02/84/434350284.db2.gz IIUFGMKGLXTOKS-ATLSCFEFSA-N 2 1 304.503 3.381 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423303098 434350824 /nfs/dbraw/zinc/35/08/24/434350824.db2.gz WNEHRXPVISROCX-OFQRWUPVSA-N 2 1 308.466 3.303 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287410765 434354553 /nfs/dbraw/zinc/35/45/53/434354553.db2.gz JQAQUNSUDDYJEB-PIKOESSRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287410765 434354559 /nfs/dbraw/zinc/35/45/59/434354559.db2.gz JQAQUNSUDDYJEB-PIKOESSRSA-N 2 1 316.489 3.302 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000390117587 434355785 /nfs/dbraw/zinc/35/57/85/434355785.db2.gz DOCNEBVRWNJYLH-OKILXGFUSA-N 2 1 314.351 3.017 20 0 DGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423317843 434358424 /nfs/dbraw/zinc/35/84/24/434358424.db2.gz KROSXTIHUNDYFB-HZMBPMFUSA-N 2 1 302.340 3.016 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000366221347 434359788 /nfs/dbraw/zinc/35/97/88/434359788.db2.gz JBBWECWJQUJGBR-RBUKOAKNSA-N 2 1 304.478 3.159 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749719 434394579 /nfs/dbraw/zinc/39/45/79/434394579.db2.gz GMYVQDUVFPPYIC-DZGCQCFKSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749719 434394594 /nfs/dbraw/zinc/39/45/94/434394594.db2.gz GMYVQDUVFPPYIC-DZGCQCFKSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749719 434394605 /nfs/dbraw/zinc/39/46/05/434394605.db2.gz GMYVQDUVFPPYIC-DZGCQCFKSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749719 434394612 /nfs/dbraw/zinc/39/46/12/434394612.db2.gz GMYVQDUVFPPYIC-DZGCQCFKSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749722 434398390 /nfs/dbraw/zinc/39/83/90/434398390.db2.gz GMYVQDUVFPPYIC-HIFRSBDPSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749722 434398398 /nfs/dbraw/zinc/39/83/98/434398398.db2.gz GMYVQDUVFPPYIC-HIFRSBDPSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749722 434398408 /nfs/dbraw/zinc/39/84/08/434398408.db2.gz GMYVQDUVFPPYIC-HIFRSBDPSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@H]1C ZINC000353749722 434398422 /nfs/dbraw/zinc/39/84/22/434398422.db2.gz GMYVQDUVFPPYIC-HIFRSBDPSA-N 2 1 318.490 3.443 20 0 DGADMP Cc1cc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000423399844 434401499 /nfs/dbraw/zinc/40/14/99/434401499.db2.gz VFGDGIYPYYLHSE-LMMKCTJWSA-N 2 1 313.420 3.478 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000394419281 434402254 /nfs/dbraw/zinc/40/22/54/434402254.db2.gz FYXWQHCFMYZFCT-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000394419281 434402262 /nfs/dbraw/zinc/40/22/62/434402262.db2.gz FYXWQHCFMYZFCT-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000423397515 434402329 /nfs/dbraw/zinc/40/23/29/434402329.db2.gz TULAENCGEHQYDT-UHTWSYAYSA-N 2 1 306.841 3.147 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000353752411 434403003 /nfs/dbraw/zinc/40/30/03/434403003.db2.gz LDSNGRMNLWNSCI-CRAIPNDOSA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000353752411 434403032 /nfs/dbraw/zinc/40/30/32/434403032.db2.gz LDSNGRMNLWNSCI-CRAIPNDOSA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000353752411 434403043 /nfs/dbraw/zinc/40/30/43/434403043.db2.gz LDSNGRMNLWNSCI-CRAIPNDOSA-N 2 1 312.461 3.381 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000353752414 434403535 /nfs/dbraw/zinc/40/35/35/434403535.db2.gz LDSNGRMNLWNSCI-QAPCUYQASA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000353752414 434403564 /nfs/dbraw/zinc/40/35/64/434403564.db2.gz LDSNGRMNLWNSCI-QAPCUYQASA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@H]1C ZINC000353752414 434403573 /nfs/dbraw/zinc/40/35/73/434403573.db2.gz LDSNGRMNLWNSCI-QAPCUYQASA-N 2 1 312.461 3.381 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000353753500 434405150 /nfs/dbraw/zinc/40/51/50/434405150.db2.gz XATUKHUTIXFZTH-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000353753500 434405162 /nfs/dbraw/zinc/40/51/62/434405162.db2.gz XATUKHUTIXFZTH-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000353753500 434405172 /nfs/dbraw/zinc/40/51/72/434405172.db2.gz XATUKHUTIXFZTH-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000353753500 434405182 /nfs/dbraw/zinc/40/51/82/434405182.db2.gz XATUKHUTIXFZTH-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772170 434422124 /nfs/dbraw/zinc/42/21/24/434422124.db2.gz ZLYWLQUIKRGTMO-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772170 434422135 /nfs/dbraw/zinc/42/21/35/434422135.db2.gz ZLYWLQUIKRGTMO-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772170 434422143 /nfs/dbraw/zinc/42/21/43/434422143.db2.gz ZLYWLQUIKRGTMO-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCOC)c2)C[C@H]1C ZINC000353772170 434422147 /nfs/dbraw/zinc/42/21/47/434422147.db2.gz ZLYWLQUIKRGTMO-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423438162 434425951 /nfs/dbraw/zinc/42/59/51/434425951.db2.gz GXSGDXNWCNJYNT-DCGLDWPTSA-N 2 1 303.837 3.344 20 0 DGADMP COCC(C)(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348646811 434431519 /nfs/dbraw/zinc/43/15/19/434431519.db2.gz PYCWQSWTWGDWDB-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP COCC(C)(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348646811 434431522 /nfs/dbraw/zinc/43/15/22/434431522.db2.gz PYCWQSWTWGDWDB-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP COCC(C)(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348646811 434431533 /nfs/dbraw/zinc/43/15/33/434431533.db2.gz PYCWQSWTWGDWDB-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(F)cn1 ZINC000287697643 434431662 /nfs/dbraw/zinc/43/16/62/434431662.db2.gz NLJKLDAIXBNPHP-ZDUSSCGKSA-N 2 1 317.408 3.142 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC000397402077 434434905 /nfs/dbraw/zinc/43/49/05/434434905.db2.gz NNPUBFPCRWSWBC-NFAWXSAZSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC000397402077 434434917 /nfs/dbraw/zinc/43/49/17/434434917.db2.gz NNPUBFPCRWSWBC-NFAWXSAZSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(-c2ccccc2)c1 ZINC000423509738 434467077 /nfs/dbraw/zinc/46/70/77/434467077.db2.gz JAOZNAHFFGPCIM-UZLBHIALSA-N 2 1 310.441 3.383 20 0 DGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423507772 434467679 /nfs/dbraw/zinc/46/76/79/434467679.db2.gz QKMQHENQCDGZJW-RHSMWYFYSA-N 2 1 320.477 3.050 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cnn1-c1ccc(F)cc1 ZINC000423525315 434474409 /nfs/dbraw/zinc/47/44/09/434474409.db2.gz KIZGWSFHPKYBDS-CYBMUJFWSA-N 2 1 316.424 3.113 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000423532305 434481719 /nfs/dbraw/zinc/48/17/19/434481719.db2.gz VCGCIBRMWKEPAI-NSHDSACASA-N 2 1 312.841 3.150 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423547748 434484055 /nfs/dbraw/zinc/48/40/55/434484055.db2.gz QDLFKMFIGIKPAU-JEDBISTDSA-N 3 1 324.472 3.219 20 0 DGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400736809 434490871 /nfs/dbraw/zinc/49/08/71/434490871.db2.gz RWIFHQJSPSCLRX-YSIASYRMSA-N 2 1 315.505 3.019 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000522014712 294899838 /nfs/dbraw/zinc/89/98/38/294899838.db2.gz WXHQNOJBCPPOGR-HOTGVXAUSA-N 2 1 315.486 3.288 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366767722 434505644 /nfs/dbraw/zinc/50/56/44/434505644.db2.gz YDFFDJSJNCQGFH-VSZNYVQBSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366767722 434505648 /nfs/dbraw/zinc/50/56/48/434505648.db2.gz YDFFDJSJNCQGFH-VSZNYVQBSA-N 2 1 318.509 3.156 20 0 DGADMP Cc1noc(C2CCC([NH2+]CCC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000366557089 434451647 /nfs/dbraw/zinc/45/16/47/434451647.db2.gz RGQFOBOZPHWCOX-OOHWJJMZSA-N 2 1 320.481 3.258 20 0 DGADMP Clc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423491080 434455529 /nfs/dbraw/zinc/45/55/29/434455529.db2.gz JBTAQVLKFWLZLU-DLBZAZTESA-N 2 1 308.853 3.149 20 0 DGADMP Fc1ccccc1[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423493739 434456107 /nfs/dbraw/zinc/45/61/07/434456107.db2.gz QZDRZWYCYZUXFE-QAPCUYQASA-N 2 1 306.425 3.025 20 0 DGADMP Clc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423491081 434456960 /nfs/dbraw/zinc/45/69/60/434456960.db2.gz JBTAQVLKFWLZLU-IAGOWNOFSA-N 2 1 308.853 3.149 20 0 DGADMP c1ccc(CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423495226 434457011 /nfs/dbraw/zinc/45/70/11/434457011.db2.gz UCNLXCONACCDNM-LEWJYISDSA-N 2 1 324.468 3.329 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000404290747 434511114 /nfs/dbraw/zinc/51/11/14/434511114.db2.gz KVEHSBTWMDWCTN-MFKMUULPSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000404290747 434511122 /nfs/dbraw/zinc/51/11/22/434511122.db2.gz KVEHSBTWMDWCTN-MFKMUULPSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000360150718 434532117 /nfs/dbraw/zinc/53/21/17/434532117.db2.gz SGLQURSJTNWJKX-TZMCWYRMSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000360150718 434532123 /nfs/dbraw/zinc/53/21/23/434532123.db2.gz SGLQURSJTNWJKX-TZMCWYRMSA-N 2 1 316.367 3.058 20 0 DGADMP COc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000348865822 434535553 /nfs/dbraw/zinc/53/55/53/434535553.db2.gz FCGIEMLKEXUWEN-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000348865822 434535563 /nfs/dbraw/zinc/53/55/63/434535563.db2.gz FCGIEMLKEXUWEN-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000348865822 434535569 /nfs/dbraw/zinc/53/55/69/434535569.db2.gz FCGIEMLKEXUWEN-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP COc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000348865822 434535576 /nfs/dbraw/zinc/53/55/76/434535576.db2.gz FCGIEMLKEXUWEN-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000353935214 434535817 /nfs/dbraw/zinc/53/58/17/434535817.db2.gz ZMBAPTNRAJIWRF-UHFFFAOYSA-N 2 1 312.498 3.207 20 0 DGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000353935035 434536655 /nfs/dbraw/zinc/53/66/55/434536655.db2.gz UFMMZHORAVQHBT-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP CC[NH+](CC)CCCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000360175622 434541723 /nfs/dbraw/zinc/54/17/23/434541723.db2.gz WWYXCPOTCPBUMH-UHFFFAOYSA-N 2 1 315.465 3.296 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000360238323 434556303 /nfs/dbraw/zinc/55/63/03/434556303.db2.gz MVVJBHAEMTWFJR-MOPGFXCFSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459372460 434567951 /nfs/dbraw/zinc/56/79/51/434567951.db2.gz JBBQWLAZXGIWTI-HNNXBMFYSA-N 2 1 302.466 3.098 20 0 DGADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000527230310 295085663 /nfs/dbraw/zinc/08/56/63/295085663.db2.gz SAHIGNRILFRGHN-HNNXBMFYSA-N 2 1 324.415 3.215 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459368797 434569801 /nfs/dbraw/zinc/56/98/01/434569801.db2.gz DFIUVOLVVTZHEW-KSZLIROESA-N 2 1 322.518 3.007 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CC=CC3)CC2)cc1 ZINC000527743224 295124123 /nfs/dbraw/zinc/12/41/23/295124123.db2.gz GQDMIHQWNBJRDU-UHFFFAOYSA-N 2 1 302.437 3.388 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CC12CC2 ZINC000527853717 295140669 /nfs/dbraw/zinc/14/06/69/295140669.db2.gz QQKFTRIVMWZRAP-JTDSTZFVSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CC12CC2 ZINC000527853717 295140672 /nfs/dbraw/zinc/14/06/72/295140672.db2.gz QQKFTRIVMWZRAP-JTDSTZFVSA-N 2 1 314.473 3.186 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cc(C)ccc1C ZINC000527852740 295140745 /nfs/dbraw/zinc/14/07/45/295140745.db2.gz OPWBIFUCADXNCI-LJQANCHMSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000527941675 295154546 /nfs/dbraw/zinc/15/45/46/295154546.db2.gz HRVIFRDLSCNMPV-CWNCVBMWSA-N 2 1 304.865 3.296 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccc(F)cc2)OC)C[C@H]1C ZINC000528393862 295207130 /nfs/dbraw/zinc/20/71/30/295207130.db2.gz HCTKIWBZPUDWPJ-MNEFBYGVSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccc(F)cc2)OC)C[C@H]1C ZINC000528393862 295207131 /nfs/dbraw/zinc/20/71/31/295207131.db2.gz HCTKIWBZPUDWPJ-MNEFBYGVSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccc(F)cc2)OC)C[C@H]1C ZINC000528393862 295207133 /nfs/dbraw/zinc/20/71/33/295207133.db2.gz HCTKIWBZPUDWPJ-MNEFBYGVSA-N 2 1 322.468 3.188 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1F ZINC000423178302 295220762 /nfs/dbraw/zinc/22/07/62/295220762.db2.gz BSJKLEPUYCQQAB-VYDXJSESSA-N 2 1 306.425 3.202 20 0 DGADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1F ZINC000423299446 295248068 /nfs/dbraw/zinc/24/80/68/295248068.db2.gz BSJKLEPUYCQQAB-UXLLHSPISA-N 2 1 306.425 3.202 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000424370937 295300951 /nfs/dbraw/zinc/30/09/51/295300951.db2.gz FGVJWCBWYVFBSI-RBSFLKMASA-N 2 1 309.251 3.296 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000354095543 434616021 /nfs/dbraw/zinc/61/60/21/434616021.db2.gz CJZSFFLOKVWBOK-KRWDZBQOSA-N 2 1 316.445 3.366 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000354106965 434621702 /nfs/dbraw/zinc/62/17/02/434621702.db2.gz NCSRGFCTEDSIRD-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360568111 434641077 /nfs/dbraw/zinc/64/10/77/434641077.db2.gz JNBIWBLHSBOTFY-HNNXBMFYSA-N 2 1 315.244 3.058 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360568111 434641084 /nfs/dbraw/zinc/64/10/84/434641084.db2.gz JNBIWBLHSBOTFY-HNNXBMFYSA-N 2 1 315.244 3.058 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1cccnc1)C(C)C ZINC000349235335 434642645 /nfs/dbraw/zinc/64/26/45/434642645.db2.gz BZFLWOVFOIVABL-UHFFFAOYSA-N 2 1 321.428 3.381 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1cccnc1)C(C)C ZINC000349235335 434642651 /nfs/dbraw/zinc/64/26/51/434642651.db2.gz BZFLWOVFOIVABL-UHFFFAOYSA-N 2 1 321.428 3.381 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000459743118 434691363 /nfs/dbraw/zinc/69/13/63/434691363.db2.gz WFMMBAKMRSNLKN-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP Cn1c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nc2ccc(Cl)cc21 ZINC000459747057 434694160 /nfs/dbraw/zinc/69/41/60/434694160.db2.gz ZRNZQXWOFFQJRV-ZDUSSCGKSA-N 2 1 320.868 3.048 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000360606287 434648769 /nfs/dbraw/zinc/64/87/69/434648769.db2.gz BMEWZBJJHRTJCP-MRXNPFEDSA-N 2 1 319.424 3.063 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)cn1 ZINC000354160812 434651083 /nfs/dbraw/zinc/65/10/83/434651083.db2.gz ZDPOZLWQHQOTFZ-LPHOPBHVSA-N 2 1 303.494 3.423 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000459723883 434675207 /nfs/dbraw/zinc/67/52/07/434675207.db2.gz DFSLUHQCWSQBKH-AWEZNQCLSA-N 2 1 316.474 3.027 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459724417 434675364 /nfs/dbraw/zinc/67/53/64/434675364.db2.gz DKPFFOGVOBYVJQ-VQIMIIECSA-N 2 1 322.468 3.095 20 0 DGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)cc1 ZINC000371353694 434675521 /nfs/dbraw/zinc/67/55/21/434675521.db2.gz JORCQVJJVXOTNH-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(-c3cccs3)o1)CC[NH2+]CC2 ZINC000424285723 434677323 /nfs/dbraw/zinc/67/73/23/434677323.db2.gz GIDFMCWIXICACA-ZDUSSCGKSA-N 2 1 317.458 3.367 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459721097 434678002 /nfs/dbraw/zinc/67/80/02/434678002.db2.gz APMNFOINDAKHTA-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C2CCCCC2)n1 ZINC000459726871 434679539 /nfs/dbraw/zinc/67/95/39/434679539.db2.gz BYWXEBFCYFPNIH-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000459726260 434679578 /nfs/dbraw/zinc/67/95/78/434679578.db2.gz BLQJVVBCCWQAEX-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)OC(C)C ZINC000349338794 434680305 /nfs/dbraw/zinc/68/03/05/434680305.db2.gz AWVCSRIDOBOTMD-IEZWGBDMSA-N 2 1 320.477 3.091 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424289748 434681850 /nfs/dbraw/zinc/68/18/50/434681850.db2.gz MLDRZDAWMKHHCU-CQSZACIVSA-N 2 1 308.853 3.183 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2[nH]c1=O ZINC000349344666 434682324 /nfs/dbraw/zinc/68/23/24/434682324.db2.gz IJWLEHKRIPSQSK-UHFFFAOYSA-N 2 1 313.445 3.248 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2[nH]c1=O ZINC000349344666 434682328 /nfs/dbraw/zinc/68/23/28/434682328.db2.gz IJWLEHKRIPSQSK-UHFFFAOYSA-N 2 1 313.445 3.248 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000349345840 434682887 /nfs/dbraw/zinc/68/28/87/434682887.db2.gz JFYFKMGSHYYFPS-UHFFFAOYSA-N 2 1 313.445 3.427 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000349345840 434682894 /nfs/dbraw/zinc/68/28/94/434682894.db2.gz JFYFKMGSHYYFPS-UHFFFAOYSA-N 2 1 313.445 3.427 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000459732012 434684448 /nfs/dbraw/zinc/68/44/48/434684448.db2.gz LTTNKNQLFOZWNE-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424301100 434684549 /nfs/dbraw/zinc/68/45/49/434684549.db2.gz XACSQPAJJNUJPN-QGZVFWFLSA-N 2 1 302.462 3.146 20 0 DGADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411257599 434751489 /nfs/dbraw/zinc/75/14/89/434751489.db2.gz UPNJNZBENAQEBP-XLIONFOSSA-N 2 1 316.489 3.408 20 0 DGADMP C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411257598 434753279 /nfs/dbraw/zinc/75/32/79/434753279.db2.gz UPNJNZBENAQEBP-PXNSSMCTSA-N 2 1 316.489 3.408 20 0 DGADMP CCn1cc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)cn1 ZINC000349407568 434705976 /nfs/dbraw/zinc/70/59/76/434705976.db2.gz OHFHQYKKKOXNFW-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000424364229 434710680 /nfs/dbraw/zinc/71/06/80/434710680.db2.gz DDAVSQZWOURWFF-CHWSQXEVSA-N 2 1 317.658 3.462 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1ccc(F)cc1 ZINC000424376476 434713200 /nfs/dbraw/zinc/71/32/00/434713200.db2.gz PIWBXMPBLZIYOC-NXOUGTEYSA-N 2 1 316.424 3.240 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000424370506 434713899 /nfs/dbraw/zinc/71/38/99/434713899.db2.gz DLGUSSLLFHUKNK-RBSFLKMASA-N 2 1 314.351 3.432 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424370347 434714027 /nfs/dbraw/zinc/71/40/27/434714027.db2.gz CFKMZLFDGPIWFL-ZIAGYGMSSA-N 2 1 312.841 3.107 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2c1 ZINC000424379378 434714593 /nfs/dbraw/zinc/71/45/93/434714593.db2.gz OOGNEMSPFYYNFT-CQSZACIVSA-N 2 1 314.429 3.405 20 0 DGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424378143 434715212 /nfs/dbraw/zinc/71/52/12/434715212.db2.gz SGSDGBQRWJUXAS-KBRIMQKVSA-N 2 1 318.465 3.137 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424385679 434717206 /nfs/dbraw/zinc/71/72/06/434717206.db2.gz WIKXLZOWGJESKZ-MRXNPFEDSA-N 2 1 324.472 3.349 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285641 434754782 /nfs/dbraw/zinc/75/47/82/434754782.db2.gz VJSRZJJMIAYHPW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP COc1ccc(F)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000360985002 434754815 /nfs/dbraw/zinc/75/48/15/434754815.db2.gz TYZWMBKIDFZKFL-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285641 434754788 /nfs/dbraw/zinc/75/47/88/434754788.db2.gz VJSRZJJMIAYHPW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000411285641 434754792 /nfs/dbraw/zinc/75/47/92/434754792.db2.gz VJSRZJJMIAYHPW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cncs2)C1 ZINC000411285641 434754797 /nfs/dbraw/zinc/75/47/97/434754797.db2.gz VJSRZJJMIAYHPW-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP OC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411163897 434735547 /nfs/dbraw/zinc/73/55/47/434735547.db2.gz GQMKJWFGJWQVEK-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)cc1 ZINC000361024893 434771127 /nfs/dbraw/zinc/77/11/27/434771127.db2.gz FVNSVIGBSMOLDF-YRXWBPOGSA-N 2 1 300.446 3.123 20 0 DGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCOC1 ZINC000411319101 434759521 /nfs/dbraw/zinc/75/95/21/434759521.db2.gz AIMAOMWZPRLIIS-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP C[N@@H+](CCc1cnccn1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411427960 434778636 /nfs/dbraw/zinc/77/86/36/434778636.db2.gz JNNBSUVVTPOZGD-UHFFFAOYSA-N 2 1 324.472 3.137 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453066506 434787913 /nfs/dbraw/zinc/78/79/13/434787913.db2.gz XBGFDRMPUYJOAC-AQNXPRMDSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000453077396 434793389 /nfs/dbraw/zinc/79/33/89/434793389.db2.gz HACNVECFOPARJZ-SOLBZPMBSA-N 2 1 305.466 3.012 20 0 DGADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411608134 434806211 /nfs/dbraw/zinc/80/62/11/434806211.db2.gz FPUHNVZGRMUACF-XEMDLRDOSA-N 2 1 316.489 3.406 20 0 DGADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453120518 434806701 /nfs/dbraw/zinc/80/67/01/434806701.db2.gz NOOBUXKGDWFFKK-AFYVEPGGSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453132520 434810649 /nfs/dbraw/zinc/81/06/49/434810649.db2.gz DRMPKNYICRWVKA-HAGHYFMRSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453137532 434813076 /nfs/dbraw/zinc/81/30/76/434813076.db2.gz GWHOSJMFNFIEHB-XUVXKRRUSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453137532 434813079 /nfs/dbraw/zinc/81/30/79/434813079.db2.gz GWHOSJMFNFIEHB-XUVXKRRUSA-N 2 1 324.472 3.251 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000453163172 434820490 /nfs/dbraw/zinc/82/04/90/434820490.db2.gz CRRMPMWKFKOAAN-QRQLOZEOSA-N 2 1 324.472 3.218 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453193466 434825849 /nfs/dbraw/zinc/82/58/49/434825849.db2.gz IDZIFDUNRRMZBB-ZCNNSNEGSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000361190784 434826474 /nfs/dbraw/zinc/82/64/74/434826474.db2.gz QBKYXPIFAKCPEH-BYCMXARLSA-N 2 1 310.388 3.108 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453201829 434827548 /nfs/dbraw/zinc/82/75/48/434827548.db2.gz AXSYAWDELJUGHL-VAMGGRTRSA-N 2 1 316.489 3.182 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H]2CCOc3c(F)ccc(F)c32)[C@@H]2CCC[C@@H]21 ZINC000361190470 434827636 /nfs/dbraw/zinc/82/76/36/434827636.db2.gz YUNMMRWIRGGVEX-KSYCFECVSA-N 2 1 322.399 3.251 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H]2CCC[C@@H]21 ZINC000361190470 434827640 /nfs/dbraw/zinc/82/76/40/434827640.db2.gz YUNMMRWIRGGVEX-KSYCFECVSA-N 2 1 322.399 3.251 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H]2CCC[C@@H]21 ZINC000361190470 434827642 /nfs/dbraw/zinc/82/76/42/434827642.db2.gz YUNMMRWIRGGVEX-KSYCFECVSA-N 2 1 322.399 3.251 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453222577 434833428 /nfs/dbraw/zinc/83/34/28/434833428.db2.gz QONSIFNNRJDVHQ-NBYUQASBSA-N 2 1 316.489 3.180 20 0 DGADMP Cn1c[nH+]cc1CCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573247734 434883096 /nfs/dbraw/zinc/88/30/96/434883096.db2.gz JLEUMFHWFHIIEA-SFHVURJKSA-N 2 1 315.486 3.360 20 0 DGADMP Cn1c[nH+]cc1CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000573247734 434883099 /nfs/dbraw/zinc/88/30/99/434883099.db2.gz JLEUMFHWFHIIEA-SFHVURJKSA-N 2 1 315.486 3.360 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250098 434884664 /nfs/dbraw/zinc/88/46/64/434884664.db2.gz YQKCMFGFJQHNBU-WOJBJXKFSA-N 3 1 309.457 3.070 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250098 434884668 /nfs/dbraw/zinc/88/46/68/434884668.db2.gz YQKCMFGFJQHNBU-WOJBJXKFSA-N 3 1 309.457 3.070 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000521460952 434886128 /nfs/dbraw/zinc/88/61/28/434886128.db2.gz QGTGZAHURAMIKY-ZOBUZTSGSA-N 2 1 317.477 3.394 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000521597330 434888203 /nfs/dbraw/zinc/88/82/03/434888203.db2.gz YBWQGJSMPIDFMF-NJAFHUGGSA-N 2 1 302.462 3.164 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000521597331 434889500 /nfs/dbraw/zinc/88/95/00/434889500.db2.gz YBWQGJSMPIDFMF-NXHRZFHOSA-N 2 1 302.462 3.164 20 0 DGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115247 434900099 /nfs/dbraw/zinc/90/00/99/434900099.db2.gz FCPHSGUGFNYWIB-SXLOBPIMSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115247 434900103 /nfs/dbraw/zinc/90/01/03/434900103.db2.gz FCPHSGUGFNYWIB-SXLOBPIMSA-N 2 1 318.505 3.428 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036418 434907451 /nfs/dbraw/zinc/90/74/51/434907451.db2.gz SFKAZMJVPXINQU-DOTOQJQBSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036418 434907457 /nfs/dbraw/zinc/90/74/57/434907457.db2.gz SFKAZMJVPXINQU-DOTOQJQBSA-N 2 1 324.415 3.247 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000573609605 434911828 /nfs/dbraw/zinc/91/18/28/434911828.db2.gz DIPMLCQTHJBIFQ-SFHVURJKSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000554100113 434914054 /nfs/dbraw/zinc/91/40/54/434914054.db2.gz FMMIVKVJGFAVLB-MSOLQXFVSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000554100113 434914058 /nfs/dbraw/zinc/91/40/58/434914058.db2.gz FMMIVKVJGFAVLB-MSOLQXFVSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412080422 434864508 /nfs/dbraw/zinc/86/45/08/434864508.db2.gz LQQXGYUYTKSZNX-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1)C(C)C ZINC000573918721 434936394 /nfs/dbraw/zinc/93/63/94/434936394.db2.gz XWDHOBUPSRXFNQ-UHFFFAOYSA-N 2 1 319.493 3.035 20 0 DGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCc1c[nH+]cn1C ZINC000573980220 434939737 /nfs/dbraw/zinc/93/97/37/434939737.db2.gz ZHKSATBMZKFBNF-SFHVURJKSA-N 2 1 303.425 3.349 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)C[C@@H]1C ZINC000638109755 434954333 /nfs/dbraw/zinc/95/43/33/434954333.db2.gz GMEXJMYQOABUON-NSHGMRRFSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)C[C@@H]1C ZINC000638109755 434954336 /nfs/dbraw/zinc/95/43/36/434954336.db2.gz GMEXJMYQOABUON-NSHGMRRFSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)C[C@@H]1C ZINC000638109755 434954337 /nfs/dbraw/zinc/95/43/37/434954337.db2.gz GMEXJMYQOABUON-NSHGMRRFSA-N 2 1 315.505 3.318 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638116642 434957654 /nfs/dbraw/zinc/95/76/54/434957654.db2.gz FOFCTOOBMFJQFB-MOPGFXCFSA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638116642 434957657 /nfs/dbraw/zinc/95/76/57/434957657.db2.gz FOFCTOOBMFJQFB-MOPGFXCFSA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638116642 434957662 /nfs/dbraw/zinc/95/76/62/434957662.db2.gz FOFCTOOBMFJQFB-MOPGFXCFSA-N 2 1 315.505 3.319 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000555377265 434972215 /nfs/dbraw/zinc/97/22/15/434972215.db2.gz KVNDHRRYZIRHFE-AZUAARDMSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000638180464 434973580 /nfs/dbraw/zinc/97/35/80/434973580.db2.gz VOTSVPKXERWOGM-FUHWJXTLSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000638180464 434973583 /nfs/dbraw/zinc/97/35/83/434973583.db2.gz VOTSVPKXERWOGM-FUHWJXTLSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000638180464 434973586 /nfs/dbraw/zinc/97/35/86/434973586.db2.gz VOTSVPKXERWOGM-FUHWJXTLSA-N 2 1 302.462 3.260 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000555415538 434973965 /nfs/dbraw/zinc/97/39/65/434973965.db2.gz ZMXQYEYDSZJQST-NXWXRZEISA-N 2 1 308.510 3.386 20 0 DGADMP COc1cc(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)ccn1 ZINC000638367379 435014581 /nfs/dbraw/zinc/01/45/81/435014581.db2.gz UYRVRYUKIXDNMZ-IRXDYDNUSA-N 2 1 319.493 3.265 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638400511 435021475 /nfs/dbraw/zinc/02/14/75/435021475.db2.gz QUEPIFVPFFSMSY-QRFRQXIXSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638400511 435021479 /nfs/dbraw/zinc/02/14/79/435021479.db2.gz QUEPIFVPFFSMSY-QRFRQXIXSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000556810648 435026166 /nfs/dbraw/zinc/02/61/66/435026166.db2.gz GQGCLHGMPHSZEI-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000556810649 435027220 /nfs/dbraw/zinc/02/72/20/435027220.db2.gz GQGCLHGMPHSZEI-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP c1cn(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638284634 434995858 /nfs/dbraw/zinc/99/58/58/434995858.db2.gz BTWCIFUGMVZVKT-AZUAARDMSA-N 2 1 324.472 3.231 20 0 DGADMP c1cn(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638284634 434995864 /nfs/dbraw/zinc/99/58/64/434995864.db2.gz BTWCIFUGMVZVKT-AZUAARDMSA-N 2 1 324.472 3.231 20 0 DGADMP C[NH+](C)C(C)(C)CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638291271 434997472 /nfs/dbraw/zinc/99/74/72/434997472.db2.gz NPKYICJSOHONDK-PKOBYXMFSA-N 2 1 315.505 3.284 20 0 DGADMP CCCc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000574726011 434999297 /nfs/dbraw/zinc/99/92/97/434999297.db2.gz RUKHZMOEOYUHSO-VQTJNVASSA-N 2 1 318.505 3.381 20 0 DGADMP CCCc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000574726011 434999302 /nfs/dbraw/zinc/99/93/02/434999302.db2.gz RUKHZMOEOYUHSO-VQTJNVASSA-N 2 1 318.505 3.381 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638301671 434999643 /nfs/dbraw/zinc/99/96/43/434999643.db2.gz CGTRTTSINUOTAU-MOPGFXCFSA-N 2 1 315.505 3.367 20 0 DGADMP CCOC1CC(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638448871 435033334 /nfs/dbraw/zinc/03/33/34/435033334.db2.gz JVIBUGMDRVNBLE-XEVCZEQESA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638610625 435058553 /nfs/dbraw/zinc/05/85/53/435058553.db2.gz CGKQZAVAZZBYBT-QFBILLFUSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOC1 ZINC000638614111 435059165 /nfs/dbraw/zinc/05/91/65/435059165.db2.gz QLLFMMXZWOJLSI-YZGWKJHDSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOC1 ZINC000638614111 435059171 /nfs/dbraw/zinc/05/91/71/435059171.db2.gz QLLFMMXZWOJLSI-YZGWKJHDSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C(F)(F)F)cs1 ZINC000578202287 435066467 /nfs/dbraw/zinc/06/64/67/435066467.db2.gz AUYZXNVJTSHOGY-VIFPVBQESA-N 2 1 318.368 3.179 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](c1oc2ccccc2c1C)C(C)C ZINC000578334442 435077577 /nfs/dbraw/zinc/07/75/77/435077577.db2.gz OGIJFVOVSPYMJE-YJBOKZPZSA-N 2 1 318.461 3.341 20 0 DGADMP C[C@@H](O)CC[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638749822 435082830 /nfs/dbraw/zinc/08/28/30/435082830.db2.gz YHHRAXSLQNEQOW-YLJYHZDGSA-N 2 1 318.505 3.285 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638449403 435034647 /nfs/dbraw/zinc/03/46/47/435034647.db2.gz PSBDSTIUWXMSGB-UYAOXDASSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638466269 435036949 /nfs/dbraw/zinc/03/69/49/435036949.db2.gz IITNVXAOUPZMOK-POAQFYNOSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638466269 435036951 /nfs/dbraw/zinc/03/69/51/435036951.db2.gz IITNVXAOUPZMOK-POAQFYNOSA-N 2 1 315.505 3.284 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(F)c2N)c1 ZINC000638564263 435053152 /nfs/dbraw/zinc/05/31/52/435053152.db2.gz XLOYHBQJGSAMQT-UHFFFAOYSA-N 2 1 301.409 3.149 20 0 DGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638588562 435056094 /nfs/dbraw/zinc/05/60/94/435056094.db2.gz IUMFDMLUGNEWTM-HOJAQTOUSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638588562 435056098 /nfs/dbraw/zinc/05/60/98/435056098.db2.gz IUMFDMLUGNEWTM-HOJAQTOUSA-N 2 1 314.473 3.105 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638588740 435056231 /nfs/dbraw/zinc/05/62/31/435056231.db2.gz MRFPLAHGYQFTNQ-QUCCMNQESA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638588740 435056236 /nfs/dbraw/zinc/05/62/36/435056236.db2.gz MRFPLAHGYQFTNQ-QUCCMNQESA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000532187896 435146456 /nfs/dbraw/zinc/14/64/56/435146456.db2.gz FCMRAZUWOUHXTP-LSDHHAIUSA-N 2 1 309.523 3.061 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc3cc(F)ccc3o2)CC1 ZINC000639081758 435147229 /nfs/dbraw/zinc/14/72/29/435147229.db2.gz LHQWHXVECOAKKY-UHFFFAOYSA-N 2 1 303.381 3.027 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nc3cc(F)ccc3o2)CC1 ZINC000639081758 435147232 /nfs/dbraw/zinc/14/72/32/435147232.db2.gz LHQWHXVECOAKKY-UHFFFAOYSA-N 2 1 303.381 3.027 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638849128 435103146 /nfs/dbraw/zinc/10/31/46/435103146.db2.gz QCOKBEWKFLPYDR-YTQUADARSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638849128 435103148 /nfs/dbraw/zinc/10/31/48/435103148.db2.gz QCOKBEWKFLPYDR-YTQUADARSA-N 2 1 302.462 3.105 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531707988 435110998 /nfs/dbraw/zinc/11/09/98/435110998.db2.gz TXPGSSVDPYWRRG-INIZCTEOSA-N 2 1 320.477 3.155 20 0 DGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000578878537 435116421 /nfs/dbraw/zinc/11/64/21/435116421.db2.gz AXMCPZXGCOPLTR-QGZVFWFLSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000578878537 435116428 /nfs/dbraw/zinc/11/64/28/435116428.db2.gz AXMCPZXGCOPLTR-QGZVFWFLSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000578878537 435116431 /nfs/dbraw/zinc/11/64/31/435116431.db2.gz AXMCPZXGCOPLTR-QGZVFWFLSA-N 2 1 301.409 3.199 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCC[NH+]2CCCC2)cc1F ZINC000467511133 435123118 /nfs/dbraw/zinc/12/31/18/435123118.db2.gz KKNNZTRFPMOHLD-INIZCTEOSA-N 2 1 322.468 3.431 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000531972364 435130166 /nfs/dbraw/zinc/13/01/66/435130166.db2.gz JVTKAGZEQWDDIA-VQTJNVASSA-N 2 1 316.489 3.210 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639055944 435139019 /nfs/dbraw/zinc/13/90/19/435139019.db2.gz DTILVIRFSGCVNM-YHCVFBMQSA-N 2 1 314.473 3.271 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639055944 435139021 /nfs/dbraw/zinc/13/90/21/435139021.db2.gz DTILVIRFSGCVNM-YHCVFBMQSA-N 2 1 314.473 3.271 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000559896287 435140622 /nfs/dbraw/zinc/14/06/22/435140622.db2.gz YRZZXPWJZCCNNV-ROUUACIJSA-N 2 1 320.525 3.398 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000559896287 435140626 /nfs/dbraw/zinc/14/06/26/435140626.db2.gz YRZZXPWJZCCNNV-ROUUACIJSA-N 2 1 320.525 3.398 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639065378 435142050 /nfs/dbraw/zinc/14/20/50/435142050.db2.gz GTGRSIIKXAXUCJ-VBSBHUPXSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639065378 435142055 /nfs/dbraw/zinc/14/20/55/435142055.db2.gz GTGRSIIKXAXUCJ-VBSBHUPXSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639065370 435143072 /nfs/dbraw/zinc/14/30/72/435143072.db2.gz GTGRSIIKXAXUCJ-MTFMMBMASA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639065370 435143074 /nfs/dbraw/zinc/14/30/74/435143074.db2.gz GTGRSIIKXAXUCJ-MTFMMBMASA-N 2 1 314.473 3.248 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639071596 435145252 /nfs/dbraw/zinc/14/52/52/435145252.db2.gz NADYBZBOGGBWBG-XGXHKWSGSA-N 2 1 314.473 3.104 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639071596 435145258 /nfs/dbraw/zinc/14/52/58/435145258.db2.gz NADYBZBOGGBWBG-XGXHKWSGSA-N 2 1 314.473 3.104 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000639176442 435183659 /nfs/dbraw/zinc/18/36/59/435183659.db2.gz GRBBCOMASLDGML-OAHLLOKOSA-N 2 1 315.465 3.326 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000639176442 435183663 /nfs/dbraw/zinc/18/36/63/435183663.db2.gz GRBBCOMASLDGML-OAHLLOKOSA-N 2 1 315.465 3.326 20 0 DGADMP CC(C)(C)OC1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475284769 435186860 /nfs/dbraw/zinc/18/68/60/435186860.db2.gz KUVPXLOHWFBVLS-VIQWUECVSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1cnc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000639195213 435192759 /nfs/dbraw/zinc/19/27/59/435192759.db2.gz RREUIBFKUBWWNX-GOSISDBHSA-N 2 1 313.445 3.375 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000579944613 435194039 /nfs/dbraw/zinc/19/40/39/435194039.db2.gz HBMUIBFPVRHVEU-CRAIPNDOSA-N 2 1 317.477 3.209 20 0 DGADMP c1cc2cccc(C[N@H+]3CCC[C@H](N4CCOCC4)CC3)c2o1 ZINC000579979027 435197838 /nfs/dbraw/zinc/19/78/38/435197838.db2.gz NNVDHIRHZTWJHI-SFHVURJKSA-N 2 1 314.429 3.120 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639221803 435202529 /nfs/dbraw/zinc/20/25/29/435202529.db2.gz FNLVYUKOMDYGFH-HGKSCXNLSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639221803 435202532 /nfs/dbraw/zinc/20/25/32/435202532.db2.gz FNLVYUKOMDYGFH-HGKSCXNLSA-N 2 1 314.473 3.105 20 0 DGADMP Cc1nocc1CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639227391 435204113 /nfs/dbraw/zinc/20/41/13/435204113.db2.gz MDWLBVBZXPDOCQ-HKUYNNGSSA-N 2 1 311.429 3.441 20 0 DGADMP Cc1nocc1C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639227391 435204116 /nfs/dbraw/zinc/20/41/16/435204116.db2.gz MDWLBVBZXPDOCQ-HKUYNNGSSA-N 2 1 311.429 3.441 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226351 435204433 /nfs/dbraw/zinc/20/44/33/435204433.db2.gz WHQQABJKYJJKOB-SUMDDJOVSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226351 435204437 /nfs/dbraw/zinc/20/44/37/435204437.db2.gz WHQQABJKYJJKOB-SUMDDJOVSA-N 2 1 316.489 3.494 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025392 435205581 /nfs/dbraw/zinc/20/55/81/435205581.db2.gz IHXXUCDPIRBTOM-RBUKOAKNSA-N 2 1 322.456 3.060 20 0 DGADMP CC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532232966 435152447 /nfs/dbraw/zinc/15/24/47/435152447.db2.gz ANLNOKLKBBKDNL-DOTOQJQBSA-N 2 1 302.466 3.231 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000560245850 435155715 /nfs/dbraw/zinc/15/57/15/435155715.db2.gz KDZSWAKHFCBQKU-JOCBIADPSA-N 2 1 302.462 3.305 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000560245850 435155720 /nfs/dbraw/zinc/15/57/20/435155720.db2.gz KDZSWAKHFCBQKU-JOCBIADPSA-N 2 1 302.462 3.305 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000639105918 435156134 /nfs/dbraw/zinc/15/61/34/435156134.db2.gz JCHJVZWSHKSZEP-STQMWFEESA-N 2 1 321.827 3.459 20 0 DGADMP CC(C)(C)[C@@]1(C[NH2+]CCCCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000639111793 435158340 /nfs/dbraw/zinc/15/83/40/435158340.db2.gz ZPAVSKIGFWZPKO-HXUWFJFHSA-N 2 1 318.505 3.287 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1OCCc2sccc21 ZINC000579545887 435161847 /nfs/dbraw/zinc/16/18/47/435161847.db2.gz GOMODZUFEMFORY-SCLBCKFNSA-N 2 1 320.502 3.214 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCOC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000474875048 435164718 /nfs/dbraw/zinc/16/47/18/435164718.db2.gz DANIQLYYBXKBCV-LFGUQSLTSA-N 2 1 316.489 3.302 20 0 DGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCC2(C)C)c2cccs2)CC1 ZINC000532441637 435165128 /nfs/dbraw/zinc/16/51/28/435165128.db2.gz CGVOCRVXHUDAHG-RDJZCZTQSA-N 2 1 321.534 3.205 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000532450172 435166517 /nfs/dbraw/zinc/16/65/17/435166517.db2.gz TUOHOWNBAIRWES-NLWGTHIKSA-N 2 1 317.521 3.389 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532524469 435173098 /nfs/dbraw/zinc/17/30/98/435173098.db2.gz ULXGBHTZIDNDDU-UXLLHSPISA-N 2 1 317.477 3.038 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532524469 435173102 /nfs/dbraw/zinc/17/31/02/435173102.db2.gz ULXGBHTZIDNDDU-UXLLHSPISA-N 2 1 317.477 3.038 20 0 DGADMP OC1(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639148085 435175039 /nfs/dbraw/zinc/17/50/39/435175039.db2.gz BLHBELAYQVOQEO-HKUYNNGSSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639148085 435175042 /nfs/dbraw/zinc/17/50/42/435175042.db2.gz BLHBELAYQVOQEO-HKUYNNGSSA-N 2 1 314.473 3.249 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H](C)O ZINC000639230661 435207313 /nfs/dbraw/zinc/20/73/13/435207313.db2.gz CNUQRYYXUVQTBZ-QNDJGXFYSA-N 2 1 302.462 3.104 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H](C)O ZINC000639230661 435207316 /nfs/dbraw/zinc/20/73/16/435207316.db2.gz CNUQRYYXUVQTBZ-QNDJGXFYSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000560578128 435182650 /nfs/dbraw/zinc/18/26/50/435182650.db2.gz ZCXCYPOOSOAVOQ-CALCHBBNSA-N 2 1 315.505 3.418 20 0 DGADMP COc1ccc2c(c1)CCC[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000533270637 435221179 /nfs/dbraw/zinc/22/11/79/435221179.db2.gz AQJFZNMMZPUJDQ-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639235991 435209159 /nfs/dbraw/zinc/20/91/59/435209159.db2.gz WIKDDLNHLGMNSO-NEWSRXKRSA-N 2 1 314.473 3.369 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639235991 435209163 /nfs/dbraw/zinc/20/91/63/435209163.db2.gz WIKDDLNHLGMNSO-NEWSRXKRSA-N 2 1 314.473 3.369 20 0 DGADMP CCC[C@H](C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1)OC ZINC000639241722 435211528 /nfs/dbraw/zinc/21/15/28/435211528.db2.gz HSCNGYYHZDYBMU-CQSZACIVSA-N 2 1 310.404 3.150 20 0 DGADMP CC(C)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1F ZINC000639312425 435241749 /nfs/dbraw/zinc/24/17/49/435241749.db2.gz YJEZRTLBEGJVMJ-SFHVURJKSA-N 2 1 322.468 3.348 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000561970521 435241785 /nfs/dbraw/zinc/24/17/85/435241785.db2.gz OOURDKMSOJQBKP-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000561970521 435241787 /nfs/dbraw/zinc/24/17/87/435241787.db2.gz OOURDKMSOJQBKP-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000583876267 435251943 /nfs/dbraw/zinc/25/19/43/435251943.db2.gz LJMQHMKDECPMHD-GJZGRUSLSA-N 2 1 300.450 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000583876267 435251947 /nfs/dbraw/zinc/25/19/47/435251947.db2.gz LJMQHMKDECPMHD-GJZGRUSLSA-N 2 1 300.450 3.030 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924397 435257140 /nfs/dbraw/zinc/25/71/40/435257140.db2.gz TYMSAEXAGYKWDB-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924397 435257146 /nfs/dbraw/zinc/25/71/46/435257146.db2.gz TYMSAEXAGYKWDB-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924397 435257150 /nfs/dbraw/zinc/25/71/50/435257150.db2.gz TYMSAEXAGYKWDB-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924397 435257152 /nfs/dbraw/zinc/25/71/52/435257152.db2.gz TYMSAEXAGYKWDB-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000583924397 435257154 /nfs/dbraw/zinc/25/71/54/435257154.db2.gz TYMSAEXAGYKWDB-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000639375044 435272421 /nfs/dbraw/zinc/27/24/21/435272421.db2.gz PPWDEEPVWYYCFB-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000584067780 435272485 /nfs/dbraw/zinc/27/24/85/435272485.db2.gz HGKUIPJTUVQAPC-KRWDZBQOSA-N 2 1 303.837 3.227 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639396420 435284093 /nfs/dbraw/zinc/28/40/93/435284093.db2.gz GTGRSIIKXAXUCJ-GSEOLPGOSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639396420 435284098 /nfs/dbraw/zinc/28/40/98/435284098.db2.gz GTGRSIIKXAXUCJ-GSEOLPGOSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639396418 435284752 /nfs/dbraw/zinc/28/47/52/435284752.db2.gz GTGRSIIKXAXUCJ-BTHPGYMESA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639396418 435284756 /nfs/dbraw/zinc/28/47/56/435284756.db2.gz GTGRSIIKXAXUCJ-BTHPGYMESA-N 2 1 314.473 3.248 20 0 DGADMP CCCOc1cc(C[N@H+](C)[C@H]2CN3CCC2CC3)ccc1OC ZINC000639398526 435284882 /nfs/dbraw/zinc/28/48/82/435284882.db2.gz QKDWNYBSQRDLMY-KRWDZBQOSA-N 2 1 318.461 3.010 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@H]2CN3CCC2CC3)ccc1OC ZINC000639398526 435284888 /nfs/dbraw/zinc/28/48/88/435284888.db2.gz QKDWNYBSQRDLMY-KRWDZBQOSA-N 2 1 318.461 3.010 20 0 DGADMP CC[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000567201406 435296887 /nfs/dbraw/zinc/29/68/87/435296887.db2.gz VLYIRCBXTNZXEM-GOSISDBHSA-N 2 1 317.521 3.138 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCO1 ZINC000648435700 435299558 /nfs/dbraw/zinc/29/95/58/435299558.db2.gz LOYAQNCZJIWXLL-HZPDHXFCSA-N 2 1 317.408 3.367 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000534798598 435300151 /nfs/dbraw/zinc/30/01/51/435300151.db2.gz NLUDNGRXDQKIIX-XDNAFOTISA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000534798598 435300160 /nfs/dbraw/zinc/30/01/60/435300160.db2.gz NLUDNGRXDQKIIX-XDNAFOTISA-N 2 1 320.521 3.434 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[NH+](C)C ZINC000534798504 435300244 /nfs/dbraw/zinc/30/02/44/435300244.db2.gz PSXRSFYLNQMPCH-FJIDUMEYSA-N 2 1 308.510 3.290 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000534799065 435300572 /nfs/dbraw/zinc/30/05/72/435300572.db2.gz DZZVEZGQPXDJSW-KSZLIROESA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000534799065 435300580 /nfs/dbraw/zinc/30/05/80/435300580.db2.gz DZZVEZGQPXDJSW-KSZLIROESA-N 2 1 306.494 3.188 20 0 DGADMP CCOC1CC(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000639359443 435263276 /nfs/dbraw/zinc/26/32/76/435263276.db2.gz NGUFISLCHHIUBZ-OTBHMBEGSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000511425946 435320903 /nfs/dbraw/zinc/32/09/03/435320903.db2.gz AYUYVBXJTLOMNR-YJBOKZPZSA-N 2 1 302.462 3.177 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000511425946 435320905 /nfs/dbraw/zinc/32/09/05/435320905.db2.gz AYUYVBXJTLOMNR-YJBOKZPZSA-N 2 1 302.462 3.177 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000639497970 435321126 /nfs/dbraw/zinc/32/11/26/435321126.db2.gz PKGDMOXZCHVGKQ-SFHVURJKSA-N 2 1 301.478 3.315 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000639497970 435321133 /nfs/dbraw/zinc/32/11/33/435321133.db2.gz PKGDMOXZCHVGKQ-SFHVURJKSA-N 2 1 301.478 3.315 20 0 DGADMP COc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2ccccc21 ZINC000639509838 435325227 /nfs/dbraw/zinc/32/52/27/435325227.db2.gz ODUOOGNWSAVXDY-GDBMZVCRSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2ccccc21 ZINC000639509838 435325231 /nfs/dbraw/zinc/32/52/31/435325231.db2.gz ODUOOGNWSAVXDY-GDBMZVCRSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000639509838 435325235 /nfs/dbraw/zinc/32/52/35/435325235.db2.gz ODUOOGNWSAVXDY-GDBMZVCRSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000639509838 435325238 /nfs/dbraw/zinc/32/52/38/435325238.db2.gz ODUOOGNWSAVXDY-GDBMZVCRSA-N 2 1 313.445 3.158 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457589 435330061 /nfs/dbraw/zinc/33/00/61/435330061.db2.gz PANDZEBCMBRJMO-SJLPKXTDSA-N 2 1 324.472 3.057 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000511737913 435330906 /nfs/dbraw/zinc/33/09/06/435330906.db2.gz NJRZRVPCPMUMCG-WMZOPIPTSA-N 2 1 304.478 3.281 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643472459 435332706 /nfs/dbraw/zinc/33/27/06/435332706.db2.gz ABRLIJHJQVQEOI-ZBFHGGJFSA-N 2 1 305.466 3.107 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000567883178 435365051 /nfs/dbraw/zinc/36/50/51/435365051.db2.gz UTSYRCKWKWSSOH-LBPRGKRZSA-N 2 1 316.367 3.231 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000567883178 435365057 /nfs/dbraw/zinc/36/50/57/435365057.db2.gz UTSYRCKWKWSSOH-LBPRGKRZSA-N 2 1 316.367 3.231 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1 ZINC000643548595 435352223 /nfs/dbraw/zinc/35/22/23/435352223.db2.gz ROMJMQIGQJYPKF-CVEARBPZSA-N 2 1 308.853 3.292 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1 ZINC000643548598 435352541 /nfs/dbraw/zinc/35/25/41/435352541.db2.gz ROMJMQIGQJYPKF-JKSUJKDBSA-N 2 1 308.853 3.292 20 0 DGADMP CC(C)C1CCC(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000512401334 435356438 /nfs/dbraw/zinc/35/64/38/435356438.db2.gz XYOYGDXIEODQTB-UHFFFAOYSA-N 2 1 309.542 3.064 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000479847150 435356818 /nfs/dbraw/zinc/35/68/18/435356818.db2.gz AZBNRSHMLAXLFG-LJQANCHMSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1ccc(COc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479944730 435359680 /nfs/dbraw/zinc/35/96/80/435359680.db2.gz XFAONLPVIKNVGH-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Cc1ccc(COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479944730 435359684 /nfs/dbraw/zinc/35/96/84/435359684.db2.gz XFAONLPVIKNVGH-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000648731354 435401378 /nfs/dbraw/zinc/40/13/78/435401378.db2.gz RQADCTOQGBBGOR-AWEZNQCLSA-N 2 1 314.433 3.097 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000536695502 435406521 /nfs/dbraw/zinc/40/65/21/435406521.db2.gz FYXQGXPMXQKOEF-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000536695502 435406527 /nfs/dbraw/zinc/40/65/27/435406527.db2.gz FYXQGXPMXQKOEF-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000536695502 435406532 /nfs/dbraw/zinc/40/65/32/435406532.db2.gz FYXQGXPMXQKOEF-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000536695502 435406534 /nfs/dbraw/zinc/40/65/34/435406534.db2.gz FYXQGXPMXQKOEF-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536695395 435407001 /nfs/dbraw/zinc/40/70/01/435407001.db2.gz AQNBOSBNSXQKEL-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536695395 435407008 /nfs/dbraw/zinc/40/70/08/435407008.db2.gz AQNBOSBNSXQKEL-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000536695395 435407015 /nfs/dbraw/zinc/40/70/15/435407015.db2.gz AQNBOSBNSXQKEL-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000536695395 435407020 /nfs/dbraw/zinc/40/70/20/435407020.db2.gz AQNBOSBNSXQKEL-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000536709709 435407033 /nfs/dbraw/zinc/40/70/33/435407033.db2.gz JBYADOSSPXYLAO-OALUTQOASA-N 2 1 321.553 3.303 20 0 DGADMP CC[N@H+](CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1)CC1CC1 ZINC000536738321 435407793 /nfs/dbraw/zinc/40/77/93/435407793.db2.gz PLHNPPWMYXLRPC-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1)CC1CC1 ZINC000536738321 435407800 /nfs/dbraw/zinc/40/78/00/435407800.db2.gz PLHNPPWMYXLRPC-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757678 435409594 /nfs/dbraw/zinc/40/95/94/435409594.db2.gz NUEWOAMRSAUDSO-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000514005384 435409734 /nfs/dbraw/zinc/40/97/34/435409734.db2.gz ILUZEUHFTNZHBQ-UHFFFAOYSA-N 2 1 308.441 3.399 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)CC1 ZINC000639757058 435410244 /nfs/dbraw/zinc/41/02/44/435410244.db2.gz DVRPRVYOTYNQAP-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP CC1(C)CO[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000639615700 435367586 /nfs/dbraw/zinc/36/75/86/435367586.db2.gz QFOHRCZEMCSCTG-KRWDZBQOSA-N 2 1 317.477 3.214 20 0 DGADMP C[C@@H]1COCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000512895065 435372804 /nfs/dbraw/zinc/37/28/04/435372804.db2.gz NMYUJAYRQFNJLZ-MJGOQNOKSA-N 2 1 318.505 3.407 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000513042977 435374543 /nfs/dbraw/zinc/37/45/43/435374543.db2.gz WFGQSXXVPXYABU-MSOLQXFVSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000536307358 435376382 /nfs/dbraw/zinc/37/63/82/435376382.db2.gz JCESBOGKTQSETD-WJFTUGDTSA-N 2 1 320.521 3.434 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000513331500 435384815 /nfs/dbraw/zinc/38/48/15/435384815.db2.gz TZCBQSXVEPHTBU-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513331500 435384821 /nfs/dbraw/zinc/38/48/21/435384821.db2.gz TZCBQSXVEPHTBU-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375210 435387464 /nfs/dbraw/zinc/38/74/64/435387464.db2.gz ALNFWLOUUUYPTD-KXBFYZLASA-N 2 1 304.478 3.336 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375210 435387467 /nfs/dbraw/zinc/38/74/67/435387467.db2.gz ALNFWLOUUUYPTD-KXBFYZLASA-N 2 1 304.478 3.336 20 0 DGADMP c1coc(-c2cc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)no2)c1 ZINC000639682270 435391222 /nfs/dbraw/zinc/39/12/22/435391222.db2.gz QCVIODICRJRJGB-UHFFFAOYSA-N 2 1 324.384 3.042 20 0 DGADMP c1cnc2cccc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000639685232 435392682 /nfs/dbraw/zinc/39/26/82/435392682.db2.gz RCENOTFQQQTKLX-UHFFFAOYSA-N 2 1 318.424 3.342 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657448 435480588 /nfs/dbraw/zinc/48/05/88/435480588.db2.gz RNKGGIBEZJSGMJ-MJGOQNOKSA-N 2 1 304.478 3.204 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657448 435480591 /nfs/dbraw/zinc/48/05/91/435480591.db2.gz RNKGGIBEZJSGMJ-MJGOQNOKSA-N 2 1 304.478 3.204 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482155970 435452936 /nfs/dbraw/zinc/45/29/36/435452936.db2.gz HIOJRIOAZKNYNN-KRWDZBQOSA-N 2 1 316.489 3.408 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)ccc1Cl ZINC000568631916 435455556 /nfs/dbraw/zinc/45/55/56/435455556.db2.gz DKMUYGWHEWZLBK-DTWKUNHWSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644561232 435457948 /nfs/dbraw/zinc/45/79/48/435457948.db2.gz VGLXCSPQIUAGLN-LKUPVBHCSA-N 2 1 324.468 3.002 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644561232 435457952 /nfs/dbraw/zinc/45/79/52/435457952.db2.gz VGLXCSPQIUAGLN-LKUPVBHCSA-N 2 1 324.468 3.002 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000644569952 435459975 /nfs/dbraw/zinc/45/99/75/435459975.db2.gz UQTKRCVZTZQEEX-INIZCTEOSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000516048948 435511274 /nfs/dbraw/zinc/51/12/74/435511274.db2.gz SHWGAPHMGGCISI-GGPKGHCWSA-N 2 1 318.505 3.395 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(O)CCC(C)CC2)c1 ZINC000569229970 435513976 /nfs/dbraw/zinc/51/39/76/435513976.db2.gz RUVFVFZIKOPMRY-UHFFFAOYSA-N 2 1 304.478 3.169 20 0 DGADMP c1c[nH+]c(N2CC[NH+](CCCc3cccc4ccccc43)CC2)[nH]1 ZINC000516135662 435515954 /nfs/dbraw/zinc/51/59/54/435515954.db2.gz CUZFWEYTZPJXIS-UHFFFAOYSA-N 2 1 320.440 3.318 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000538750325 435520820 /nfs/dbraw/zinc/52/08/20/435520820.db2.gz RNUYOUIZRQPDJL-UEKDZROGSA-N 2 1 320.452 3.272 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569317598 435521898 /nfs/dbraw/zinc/52/18/98/435521898.db2.gz VSSAJXPKOYCAAC-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569317598 435521903 /nfs/dbraw/zinc/52/19/03/435521903.db2.gz VSSAJXPKOYCAAC-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483477719 435523492 /nfs/dbraw/zinc/52/34/92/435523492.db2.gz KAMJJRWDEWAVII-MOPGFXCFSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483477719 435523496 /nfs/dbraw/zinc/52/34/96/435523496.db2.gz KAMJJRWDEWAVII-MOPGFXCFSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483477719 435523501 /nfs/dbraw/zinc/52/35/01/435523501.db2.gz KAMJJRWDEWAVII-MOPGFXCFSA-N 2 1 316.489 3.488 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000644667861 435483252 /nfs/dbraw/zinc/48/32/52/435483252.db2.gz YANHDRJDEHKWJN-LJQANCHMSA-N 2 1 304.478 3.426 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOCC(C)C)C2)s1 ZINC000515655933 435498567 /nfs/dbraw/zinc/49/85/67/435498567.db2.gz XGKHKQMUILNRFE-QGZVFWFLSA-N 2 1 324.534 3.483 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOCC(C)C)C2)s1 ZINC000515655933 435498570 /nfs/dbraw/zinc/49/85/70/435498570.db2.gz XGKHKQMUILNRFE-QGZVFWFLSA-N 2 1 324.534 3.483 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOCC(C)C)C2)s1 ZINC000515655933 435498574 /nfs/dbraw/zinc/49/85/74/435498574.db2.gz XGKHKQMUILNRFE-QGZVFWFLSA-N 2 1 324.534 3.483 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000483195589 435500934 /nfs/dbraw/zinc/50/09/34/435500934.db2.gz BYXYJKLXLHGDCE-QZTJIDSGSA-N 2 1 304.478 3.489 20 0 DGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000645102246 435566454 /nfs/dbraw/zinc/56/64/54/435566454.db2.gz JYYBCNGQMBERCK-XLIONFOSSA-N 2 1 321.553 3.303 20 0 DGADMP c1ccc2oc([C@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000649411600 435579671 /nfs/dbraw/zinc/57/96/71/435579671.db2.gz KABYUBIUQMOVRM-HOTGVXAUSA-N 2 1 313.445 3.397 20 0 DGADMP COc1cc(C[N@H+](C)CCCc2c[nH+]cn2C)ccc1SC ZINC000517168103 435579785 /nfs/dbraw/zinc/57/97/85/435579785.db2.gz MIVJMKVJEKYWSA-UHFFFAOYSA-N 2 1 319.474 3.215 20 0 DGADMP COc1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)ccc1SC ZINC000517168103 435579790 /nfs/dbraw/zinc/57/97/90/435579790.db2.gz MIVJMKVJEKYWSA-UHFFFAOYSA-N 2 1 319.474 3.215 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649411863 435580254 /nfs/dbraw/zinc/58/02/54/435580254.db2.gz KSFVPKOOQWHINF-AZUAARDMSA-N 3 1 321.553 3.353 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411863 435580258 /nfs/dbraw/zinc/58/02/58/435580258.db2.gz KSFVPKOOQWHINF-AZUAARDMSA-N 3 1 321.553 3.353 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411863 435580261 /nfs/dbraw/zinc/58/02/61/435580261.db2.gz KSFVPKOOQWHINF-AZUAARDMSA-N 3 1 321.553 3.353 20 0 DGADMP CCCc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418067 435582248 /nfs/dbraw/zinc/58/22/48/435582248.db2.gz ZTKQEKORPKBSCL-HUUCEWRRSA-N 2 1 307.507 3.307 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152298 435539663 /nfs/dbraw/zinc/53/96/63/435539663.db2.gz QKXOFNQPMSSBDZ-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152298 435539670 /nfs/dbraw/zinc/53/96/70/435539670.db2.gz QKXOFNQPMSSBDZ-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000569577180 435544654 /nfs/dbraw/zinc/54/46/54/435544654.db2.gz IZNDKJLHZQQNPL-RKDXNWHRSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1OC(F)F ZINC000516660320 435545182 /nfs/dbraw/zinc/54/51/82/435545182.db2.gz VMUUMHPOVDYPAN-LBPRGKRZSA-N 2 1 309.360 3.305 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000517754892 435610776 /nfs/dbraw/zinc/61/07/76/435610776.db2.gz IBPWCKPFEOSKHY-YJBOKZPZSA-N 2 1 323.440 3.251 20 0 DGADMP CC[C@H](OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000649539389 435618374 /nfs/dbraw/zinc/61/83/74/435618374.db2.gz TWOLGYVKHDLBAN-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000649539389 435618380 /nfs/dbraw/zinc/61/83/80/435618380.db2.gz TWOLGYVKHDLBAN-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000649539389 435618386 /nfs/dbraw/zinc/61/83/86/435618386.db2.gz TWOLGYVKHDLBAN-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649548919 435620696 /nfs/dbraw/zinc/62/06/96/435620696.db2.gz LXRYBLDJRXLDKH-YZGWKJHDSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649548919 435620699 /nfs/dbraw/zinc/62/06/99/435620699.db2.gz LXRYBLDJRXLDKH-YZGWKJHDSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649548919 435620702 /nfs/dbraw/zinc/62/07/02/435620702.db2.gz LXRYBLDJRXLDKH-YZGWKJHDSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000540977095 435630751 /nfs/dbraw/zinc/63/07/51/435630751.db2.gz SUYUWRRAISDTCZ-GOEBONIOSA-N 2 1 312.461 3.306 20 0 DGADMP CC(C)Oc1cccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000570173823 435597160 /nfs/dbraw/zinc/59/71/60/435597160.db2.gz PLKTXWSVBGGOFC-HNNXBMFYSA-N 2 1 301.434 3.491 20 0 DGADMP C[N@@H+](CCC(=O)NCCCCC[NH+]1CCCC1)C1CCCCC1 ZINC000570237154 435600511 /nfs/dbraw/zinc/60/05/11/435600511.db2.gz ZAZIBOBJIDSBRW-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1cccc(C)c1C ZINC000570289640 435606162 /nfs/dbraw/zinc/60/61/62/435606162.db2.gz GXAHGQSMEJSBMO-MJGOQNOKSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000570289640 435606166 /nfs/dbraw/zinc/60/61/66/435606166.db2.gz GXAHGQSMEJSBMO-MJGOQNOKSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000570289640 435606169 /nfs/dbraw/zinc/60/61/69/435606169.db2.gz GXAHGQSMEJSBMO-MJGOQNOKSA-N 2 1 304.478 3.143 20 0 DGADMP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n[nH]1 ZINC000570301539 435607195 /nfs/dbraw/zinc/60/71/95/435607195.db2.gz CXPOONPXZNFZLH-IHPCNDPISA-N 2 1 324.472 3.190 20 0 DGADMP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n[nH]1 ZINC000570301539 435607197 /nfs/dbraw/zinc/60/71/97/435607197.db2.gz CXPOONPXZNFZLH-IHPCNDPISA-N 2 1 324.472 3.190 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCCC[C@H]3O)C2)s1 ZINC000570727168 435643596 /nfs/dbraw/zinc/64/35/96/435643596.db2.gz MGJFVKKAVCLQBN-BPQIPLTHSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCCC[C@H]3O)C2)s1 ZINC000570727168 435643601 /nfs/dbraw/zinc/64/36/01/435643601.db2.gz MGJFVKKAVCLQBN-BPQIPLTHSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCCC[C@H]3O)C2)s1 ZINC000570727168 435643608 /nfs/dbraw/zinc/64/36/08/435643608.db2.gz MGJFVKKAVCLQBN-BPQIPLTHSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCCC[C@H]3O)C2)s1 ZINC000570727168 435643612 /nfs/dbraw/zinc/64/36/12/435643612.db2.gz MGJFVKKAVCLQBN-BPQIPLTHSA-N 2 1 322.518 3.114 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000518564527 435645511 /nfs/dbraw/zinc/64/55/11/435645511.db2.gz PHEJQDJAYRUWNI-GFCCVEGCSA-N 2 1 314.271 3.225 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000518564527 435645515 /nfs/dbraw/zinc/64/55/15/435645515.db2.gz PHEJQDJAYRUWNI-GFCCVEGCSA-N 2 1 314.271 3.225 20 0 DGADMP CCOCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603980 435639967 /nfs/dbraw/zinc/63/99/67/435639967.db2.gz MMQNTWKQWMTRSK-MRXNPFEDSA-N 2 1 310.507 3.237 20 0 DGADMP CCOCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603980 435639974 /nfs/dbraw/zinc/63/99/74/435639974.db2.gz MMQNTWKQWMTRSK-MRXNPFEDSA-N 2 1 310.507 3.237 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000645415484 435639973 /nfs/dbraw/zinc/63/99/73/435639973.db2.gz ZRQCNVJXCFXUCU-ZRNYENFQSA-N 2 1 316.489 3.473 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000645415484 435639976 /nfs/dbraw/zinc/63/99/76/435639976.db2.gz ZRQCNVJXCFXUCU-ZRNYENFQSA-N 2 1 316.489 3.473 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481321 435695800 /nfs/dbraw/zinc/69/58/00/435695800.db2.gz NGLJDUZKYRBKPK-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011156 435697160 /nfs/dbraw/zinc/69/71/60/435697160.db2.gz VIGBHAKJNKUPNF-MJGOQNOKSA-N 2 1 319.537 3.248 20 0 DGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011156 435697162 /nfs/dbraw/zinc/69/71/62/435697162.db2.gz VIGBHAKJNKUPNF-MJGOQNOKSA-N 2 1 319.537 3.248 20 0 DGADMP c1c2ccccc2sc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701753 435737006 /nfs/dbraw/zinc/73/70/06/435737006.db2.gz ZHNBDRGLMPRMDA-INIZCTEOSA-N 2 1 316.470 3.244 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655702159 435737453 /nfs/dbraw/zinc/73/74/53/435737453.db2.gz YSGZBZLENGDWJX-XLIONFOSSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406823 435743101 /nfs/dbraw/zinc/74/31/01/435743101.db2.gz QUWVRYXNHHYXRV-DYESRHJHSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406823 435743105 /nfs/dbraw/zinc/74/31/05/435743105.db2.gz QUWVRYXNHHYXRV-DYESRHJHSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655710744 435743491 /nfs/dbraw/zinc/74/34/91/435743491.db2.gz DXQPQOONERUEPF-CALCHBBNSA-N 2 1 318.509 3.067 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000549236511 435752344 /nfs/dbraw/zinc/75/23/44/435752344.db2.gz BWEWECRLAQEPGU-HYVNUMGLSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000549236511 435752349 /nfs/dbraw/zinc/75/23/49/435752349.db2.gz BWEWECRLAQEPGU-HYVNUMGLSA-N 2 1 304.503 3.381 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000655730264 435754188 /nfs/dbraw/zinc/75/41/88/435754188.db2.gz QWWFJOXHIWSQOJ-CEXWTWQISA-N 2 1 306.494 3.188 20 0 DGADMP Cc1cccc(C)c1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733131 435759253 /nfs/dbraw/zinc/75/92/53/435759253.db2.gz IZZALUSESGJMLJ-IBGZPJMESA-N 2 1 316.489 3.079 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000655738793 435762515 /nfs/dbraw/zinc/76/25/15/435762515.db2.gz YMYWHRZRKHLFFX-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000571634230 435722561 /nfs/dbraw/zinc/72/25/61/435722561.db2.gz KHEBNPYMJPJFSL-UYAOXDASSA-N 2 1 318.505 3.082 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000655774425 435789674 /nfs/dbraw/zinc/78/96/74/435789674.db2.gz BFXAOGOWLBPIET-NTDBWNAOSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655773353 435789729 /nfs/dbraw/zinc/78/97/29/435789729.db2.gz WXEADJJNXJOYFF-LMMKCTJWSA-N 2 1 308.510 3.436 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000655815793 435821251 /nfs/dbraw/zinc/82/12/51/435821251.db2.gz INJOSYIWOHMPER-GOSISDBHSA-N 2 1 314.473 3.200 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000655815793 435821253 /nfs/dbraw/zinc/82/12/53/435821253.db2.gz INJOSYIWOHMPER-GOSISDBHSA-N 2 1 314.473 3.200 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655773354 435790816 /nfs/dbraw/zinc/79/08/16/435790816.db2.gz WXEADJJNXJOYFF-ZHALLVOQSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000651706280 435799569 /nfs/dbraw/zinc/79/95/69/435799569.db2.gz ZVVLQINHENHPKL-UHFFFAOYSA-N 2 1 323.912 3.012 20 0 DGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000641720804 435799755 /nfs/dbraw/zinc/79/97/55/435799755.db2.gz SIBVTOFRSBNQTF-INIZCTEOSA-N 2 1 312.461 3.001 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccncc2N)C[N@H+]1Cc1ccccc1 ZINC000641744815 435808675 /nfs/dbraw/zinc/80/86/75/435808675.db2.gz ZZXFJHVWUKGAQM-FUHWJXTLSA-N 2 1 324.472 3.054 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccncc2N)C[N@H+]1Cc1ccccc1 ZINC000641744817 435808836 /nfs/dbraw/zinc/80/88/36/435808836.db2.gz ZZXFJHVWUKGAQM-WMZOPIPTSA-N 2 1 324.472 3.054 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccn21 ZINC000651736267 435810628 /nfs/dbraw/zinc/81/06/28/435810628.db2.gz RVJGFSQKKVFRKJ-WMLDXEAASA-N 2 1 312.461 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccn21 ZINC000651736267 435810636 /nfs/dbraw/zinc/81/06/36/435810636.db2.gz RVJGFSQKKVFRKJ-WMLDXEAASA-N 2 1 312.461 3.030 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474955 435765572 /nfs/dbraw/zinc/76/55/72/435765572.db2.gz SEVFQDBHRWQFGC-QZTJIDSGSA-N 2 1 302.462 3.243 20 0 DGADMP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474623 435767021 /nfs/dbraw/zinc/76/70/21/435767021.db2.gz KMSJSZMSYSRNKP-CWFIWJMMSA-N 2 1 314.473 3.277 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000660472864 435767896 /nfs/dbraw/zinc/76/78/96/435767896.db2.gz AAYOOEWEEHNIAJ-HXUWFJFHSA-N 2 1 316.489 3.114 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)o1 ZINC000660479145 435768541 /nfs/dbraw/zinc/76/85/41/435768541.db2.gz FHNZUEZSQXIHFR-HNNXBMFYSA-N 2 1 314.433 3.204 20 0 DGADMP Cc1nc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)o1 ZINC000660479145 435768550 /nfs/dbraw/zinc/76/85/50/435768550.db2.gz FHNZUEZSQXIHFR-HNNXBMFYSA-N 2 1 314.433 3.204 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081507 435770823 /nfs/dbraw/zinc/77/08/23/435770823.db2.gz GYLBTHSQKKKBEW-MOPGFXCFSA-N 2 1 314.473 3.130 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104039 435780349 /nfs/dbraw/zinc/78/03/49/435780349.db2.gz XMXHVSUMTAKXDO-CQSZACIVSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104039 435780356 /nfs/dbraw/zinc/78/03/56/435780356.db2.gz XMXHVSUMTAKXDO-CQSZACIVSA-N 2 1 308.853 3.198 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000655818495 435821154 /nfs/dbraw/zinc/82/11/54/435821154.db2.gz TVDBWAXQUNBFFN-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000655818495 435821157 /nfs/dbraw/zinc/82/11/57/435821157.db2.gz TVDBWAXQUNBFFN-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000572471406 435828676 /nfs/dbraw/zinc/82/86/76/435828676.db2.gz VPQSFHKETFEMQY-VQIMIIECSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000572471406 435828691 /nfs/dbraw/zinc/82/86/91/435828691.db2.gz VPQSFHKETFEMQY-VQIMIIECSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000572471406 435828697 /nfs/dbraw/zinc/82/86/97/435828697.db2.gz VPQSFHKETFEMQY-VQIMIIECSA-N 2 1 304.478 3.493 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C ZINC000641806281 435828801 /nfs/dbraw/zinc/82/88/01/435828801.db2.gz ILMUXQKSNJUIAC-RDBSUJKOSA-N 2 1 323.868 3.116 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C ZINC000641806281 435828803 /nfs/dbraw/zinc/82/88/03/435828803.db2.gz ILMUXQKSNJUIAC-RDBSUJKOSA-N 2 1 323.868 3.116 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000641799506 435829373 /nfs/dbraw/zinc/82/93/73/435829373.db2.gz QGXITOBJGXVZRQ-KURKYZTESA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000551329256 435831940 /nfs/dbraw/zinc/83/19/40/435831940.db2.gz ZWFDWMKLESZIQG-JKSUJKDBSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000551329256 435831949 /nfs/dbraw/zinc/83/19/49/435831949.db2.gz ZWFDWMKLESZIQG-JKSUJKDBSA-N 2 1 314.477 3.372 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660860 435847108 /nfs/dbraw/zinc/84/71/08/435847108.db2.gz AZKKSBQZOQIHER-FQEVSTJZSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660860 435847115 /nfs/dbraw/zinc/84/71/15/435847115.db2.gz AZKKSBQZOQIHER-FQEVSTJZSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660860 435847121 /nfs/dbraw/zinc/84/71/21/435847121.db2.gz AZKKSBQZOQIHER-FQEVSTJZSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660660860 435847125 /nfs/dbraw/zinc/84/71/25/435847125.db2.gz AZKKSBQZOQIHER-FQEVSTJZSA-N 3 1 324.472 3.098 20 0 DGADMP COc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC000660660726 435849227 /nfs/dbraw/zinc/84/92/27/435849227.db2.gz AMOXNNWFFMNYJG-QGZVFWFLSA-N 2 1 308.853 3.266 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000651865811 435850885 /nfs/dbraw/zinc/85/08/85/435850885.db2.gz IQTUHLKIDAQUGR-MRXNPFEDSA-N 2 1 316.493 3.452 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000651866997 435851107 /nfs/dbraw/zinc/85/11/07/435851107.db2.gz YPSHFSBAORALLV-UHFFFAOYSA-N 2 1 318.440 3.283 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000651866997 435851112 /nfs/dbraw/zinc/85/11/12/435851112.db2.gz YPSHFSBAORALLV-UHFFFAOYSA-N 2 1 318.440 3.283 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNCc2nc3ccc(Cl)cc3n2C)C1 ZINC000551887412 435858814 /nfs/dbraw/zinc/85/88/14/435858814.db2.gz QGZGIBHNZDYLJV-ZDUSSCGKSA-N 2 1 320.868 3.047 20 0 DGADMP CC[N@@H+](CCCN[C@H]1CC[NH+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910054 435860342 /nfs/dbraw/zinc/86/03/42/435860342.db2.gz FQVRGIWAVGOKOG-MJGOQNOKSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910054 435860347 /nfs/dbraw/zinc/86/03/47/435860347.db2.gz FQVRGIWAVGOKOG-MJGOQNOKSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910054 435860355 /nfs/dbraw/zinc/86/03/55/435860355.db2.gz FQVRGIWAVGOKOG-MJGOQNOKSA-N 2 1 309.542 3.351 20 0 DGADMP Cc1ccc(CCC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cc1 ZINC000660696381 435863278 /nfs/dbraw/zinc/86/32/78/435863278.db2.gz KQVMHLVDHZBTRY-UHFFFAOYSA-N 2 1 318.505 3.000 20 0 DGADMP CCCCC[N@@H+](CCNC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000651910784 435866614 /nfs/dbraw/zinc/86/66/14/435866614.db2.gz KAPMOURWWVATNI-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552055033 435875604 /nfs/dbraw/zinc/87/56/04/435875604.db2.gz YHGUIJRCNPQJIF-HVTWWXFQSA-N 2 1 314.473 3.227 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551198311 435825271 /nfs/dbraw/zinc/82/52/71/435825271.db2.gz MBLBGRRNZVGRKE-MSOLQXFVSA-N 2 1 304.478 3.474 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551198311 435825275 /nfs/dbraw/zinc/82/52/75/435825275.db2.gz MBLBGRRNZVGRKE-MSOLQXFVSA-N 2 1 304.478 3.474 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccns1 ZINC000641798057 435827321 /nfs/dbraw/zinc/82/73/21/435827321.db2.gz GXBLMWLXJGIIJH-SJLPKXTDSA-N 2 1 315.486 3.315 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651983815 435886186 /nfs/dbraw/zinc/88/61/86/435886186.db2.gz KZTPKHRBAZWRJU-HLIPFELVSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H](C)c1nc2ccccc2s1 ZINC000665278071 435936542 /nfs/dbraw/zinc/93/65/42/435936542.db2.gz UPIAXEFCJQFLMN-LZSIIWAZSA-N 2 1 301.459 3.130 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-c2ccccc2)cn1 ZINC000652190458 435921016 /nfs/dbraw/zinc/92/10/16/435921016.db2.gz ONKCTRHJZVVCEI-HNNXBMFYSA-N 2 1 306.413 3.375 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1N1CCCC1 ZINC000665236078 435924782 /nfs/dbraw/zinc/92/47/82/435924782.db2.gz GWKPVCZKLQODGI-WMZOPIPTSA-N 2 1 316.493 3.082 20 0 DGADMP COC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000665240802 435926576 /nfs/dbraw/zinc/92/65/76/435926576.db2.gz SSVFBNSLDKDABA-SUMDDJOVSA-N 2 1 320.477 3.283 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000652220953 435926781 /nfs/dbraw/zinc/92/67/81/435926781.db2.gz NFGXYXKNNMFFAC-HNNXBMFYSA-N 2 1 306.450 3.086 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000652220953 435926784 /nfs/dbraw/zinc/92/67/84/435926784.db2.gz NFGXYXKNNMFFAC-HNNXBMFYSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250243 435928831 /nfs/dbraw/zinc/92/88/31/435928831.db2.gz LPGVDSGYBSOCKW-ZTFGCOKTSA-N 2 1 300.471 3.414 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000665255509 435930445 /nfs/dbraw/zinc/93/04/45/435930445.db2.gz UVHPHMCVNUVNRZ-XIVBQZFQSA-N 2 1 302.462 3.309 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](CC)C2CC2)cc1 ZINC000665255289 435930527 /nfs/dbraw/zinc/93/05/27/435930527.db2.gz NYTMXRVPGKQNNH-OTWHNJEPSA-N 2 1 302.462 3.309 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2ccccc12 ZINC000665264839 435933614 /nfs/dbraw/zinc/93/36/14/435933614.db2.gz JCFQDUKINSDWJJ-JXFKEZNVSA-N 2 1 321.468 3.269 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000665266972 435934191 /nfs/dbraw/zinc/93/41/91/435934191.db2.gz MTGGPDNUKWWOQU-SKDRFNHKSA-N 2 1 317.296 3.297 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2ccccc12 ZINC000665264842 435934493 /nfs/dbraw/zinc/93/44/93/435934493.db2.gz JCFQDUKINSDWJJ-UZLBHIALSA-N 2 1 321.468 3.269 20 0 DGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706322 435994378 /nfs/dbraw/zinc/99/43/78/435994378.db2.gz ISHQYNTXXFDMSM-ZQIUZPCESA-N 2 1 308.491 3.029 20 0 DGADMP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363566 435959063 /nfs/dbraw/zinc/95/90/63/435959063.db2.gz IBCKCERYEQYZEU-BRWVUGGUSA-N 2 1 320.502 3.269 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3sccc3Cl)C2)C1 ZINC000650707449 435995003 /nfs/dbraw/zinc/99/50/03/435995003.db2.gz GQXROOQZKPYQNA-BZPMIXESSA-N 2 1 314.882 3.120 20 0 DGADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299078 435943959 /nfs/dbraw/zinc/94/39/59/435943959.db2.gz FVYJNVULFPCUGV-WCIQWLHISA-N 3 1 319.537 3.009 20 0 DGADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299078 435943964 /nfs/dbraw/zinc/94/39/64/435943964.db2.gz FVYJNVULFPCUGV-WCIQWLHISA-N 2 1 319.537 3.009 20 0 DGADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299078 435943968 /nfs/dbraw/zinc/94/39/68/435943968.db2.gz FVYJNVULFPCUGV-WCIQWLHISA-N 2 1 319.537 3.009 20 0 DGADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665299696 435944324 /nfs/dbraw/zinc/94/43/24/435944324.db2.gz RIMHONWGBRTGRQ-NWANDNLSSA-N 2 1 313.367 3.111 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348134 435953292 /nfs/dbraw/zinc/95/32/92/435953292.db2.gz VLFSDYNFVHWAQO-FHIHXZLISA-N 2 1 324.415 3.244 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cscc3Cl)C2)C1 ZINC000650707597 435994315 /nfs/dbraw/zinc/99/43/15/435994315.db2.gz JCZPWOWIXVTYSZ-KYOSRNDESA-N 2 1 314.882 3.120 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000650708932 435997512 /nfs/dbraw/zinc/99/75/12/435997512.db2.gz VYTITMVNOZVBFJ-RMMWZPCPSA-N 2 1 314.473 3.008 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OC(C)C ZINC000650711549 435998314 /nfs/dbraw/zinc/99/83/14/435998314.db2.gz WRJJCQULBQHYOL-DOTOQJQBSA-N 2 1 320.477 3.432 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000650709780 435999095 /nfs/dbraw/zinc/99/90/95/435999095.db2.gz QEMMSJCOTIXSKW-QOKNQOGYSA-N 2 1 320.452 3.074 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650711085 435999127 /nfs/dbraw/zinc/99/91/27/435999127.db2.gz HQTBAPQGUIZCQA-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CNc4ccccc4C3)CC[NH2+]2)cc1 ZINC000650715177 436000258 /nfs/dbraw/zinc/00/02/58/436000258.db2.gz SMZHCKRXAHPMQY-BJLQDIEVSA-N 2 1 307.441 3.106 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000650722820 436005270 /nfs/dbraw/zinc/00/52/70/436005270.db2.gz BXWXUTXWZNNIBO-QXCFHYIPSA-N 2 1 302.462 3.151 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000650722642 436005518 /nfs/dbraw/zinc/00/55/18/436005518.db2.gz YNMNUWGDCGRKNS-IKGGRYGDSA-N 2 1 308.853 3.201 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650722268 436005809 /nfs/dbraw/zinc/00/58/09/436005809.db2.gz OFEUNDIEPSMNHT-XUVXKRRUSA-N 2 1 316.489 3.473 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723419 436008993 /nfs/dbraw/zinc/00/89/93/436008993.db2.gz NNFHLLPUCDXINA-OTWHNJEPSA-N 2 1 302.462 3.164 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CSc3ccccc3O2)CC[N@H+]1C ZINC000647320805 436013256 /nfs/dbraw/zinc/01/32/56/436013256.db2.gz FFSYEJYTOWICEG-ILXRZTDVSA-N 2 1 306.475 3.002 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694609 436013916 /nfs/dbraw/zinc/01/39/16/436013916.db2.gz SKGAFDFOLARFIG-DLBZAZTESA-N 2 1 312.885 3.328 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694609 436013918 /nfs/dbraw/zinc/01/39/18/436013918.db2.gz SKGAFDFOLARFIG-DLBZAZTESA-N 2 1 312.885 3.328 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCCC1 ZINC000647343845 436026772 /nfs/dbraw/zinc/02/67/72/436026772.db2.gz DFJUXKSQHKUWDM-QRQLOZEOSA-N 2 1 316.489 3.269 20 0 DGADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784335 436043533 /nfs/dbraw/zinc/04/35/33/436043533.db2.gz AOAVMJJEXKQHCY-HNNXBMFYSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656785705 436044958 /nfs/dbraw/zinc/04/49/58/436044958.db2.gz INUARMJSEJRWDQ-OAQYLSRUSA-N 2 1 323.484 3.245 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc(F)c1F ZINC000656785506 436045062 /nfs/dbraw/zinc/04/50/62/436045062.db2.gz KXLNNOPJAJJLBT-AWEZNQCLSA-N 2 1 312.379 3.316 20 0 DGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786681 436045163 /nfs/dbraw/zinc/04/51/63/436045163.db2.gz WKGRVZJDMFSJGZ-SFHVURJKSA-N 2 1 309.457 3.446 20 0 DGADMP Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000656785074 436045747 /nfs/dbraw/zinc/04/57/47/436045747.db2.gz KIPVNOGSJGVGRG-UHFFFAOYSA-N 2 1 309.457 3.066 20 0 DGADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OCC ZINC000656788351 436047452 /nfs/dbraw/zinc/04/74/52/436047452.db2.gz KSADGMLFXMCOFZ-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3sccc3Cl)C2)C1 ZINC000650707452 435995382 /nfs/dbraw/zinc/99/53/82/435995382.db2.gz GQXROOQZKPYQNA-YRGRVCCFSA-N 2 1 314.882 3.120 20 0 DGADMP CC1(C)CCC(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650708260 435995888 /nfs/dbraw/zinc/99/58/88/435995888.db2.gz WHTHSTNCQLPPHD-OKZBNKHCSA-N 2 1 308.510 3.421 20 0 DGADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480631 436059616 /nfs/dbraw/zinc/05/96/16/436059616.db2.gz VRQWOARQUUNREJ-YLJYHZDGSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480631 436059618 /nfs/dbraw/zinc/05/96/18/436059618.db2.gz VRQWOARQUUNREJ-YLJYHZDGSA-N 2 1 324.472 3.145 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479820 436059782 /nfs/dbraw/zinc/05/97/82/436059782.db2.gz VXAZBDDLXFDTFX-RDTXWAMCSA-N 2 1 314.429 3.405 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479820 436059786 /nfs/dbraw/zinc/05/97/86/436059786.db2.gz VXAZBDDLXFDTFX-RDTXWAMCSA-N 2 1 314.429 3.405 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480344 436060230 /nfs/dbraw/zinc/06/02/30/436060230.db2.gz KIEMXDKIVYHFTJ-AEFFLSMTSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480344 436060235 /nfs/dbraw/zinc/06/02/35/436060235.db2.gz KIEMXDKIVYHFTJ-AEFFLSMTSA-N 2 1 318.509 3.219 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480785 436060612 /nfs/dbraw/zinc/06/06/12/436060612.db2.gz ZUZNNRUKYVFTPE-OALUTQOASA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480785 436060618 /nfs/dbraw/zinc/06/06/18/436060618.db2.gz ZUZNNRUKYVFTPE-OALUTQOASA-N 2 1 322.456 3.108 20 0 DGADMP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480254 436060702 /nfs/dbraw/zinc/06/07/02/436060702.db2.gz HTBVEJCVOZGDTE-ZZQVFJBOSA-N 2 1 300.446 3.172 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480254 436060708 /nfs/dbraw/zinc/06/07/08/436060708.db2.gz HTBVEJCVOZGDTE-ZZQVFJBOSA-N 2 1 300.446 3.172 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480766 436060904 /nfs/dbraw/zinc/06/09/04/436060904.db2.gz ZIQMIANOLBTACK-ZBFHGGJFSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480766 436060908 /nfs/dbraw/zinc/06/09/08/436060908.db2.gz ZIQMIANOLBTACK-ZBFHGGJFSA-N 2 1 310.388 3.252 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479446 436061102 /nfs/dbraw/zinc/06/11/02/436061102.db2.gz HCVSJUINRRGCTH-ICSRJNTNSA-N 2 1 314.473 3.439 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480765 436061708 /nfs/dbraw/zinc/06/17/08/436061708.db2.gz ZIQMIANOLBTACK-HOCLYGCPSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480765 436061710 /nfs/dbraw/zinc/06/17/10/436061710.db2.gz ZIQMIANOLBTACK-HOCLYGCPSA-N 2 1 310.388 3.252 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000647484198 436062642 /nfs/dbraw/zinc/06/26/42/436062642.db2.gz WGKBFXUQQXEVRL-CQSZACIVSA-N 2 1 306.450 3.056 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000647484198 436062648 /nfs/dbraw/zinc/06/26/48/436062648.db2.gz WGKBFXUQQXEVRL-CQSZACIVSA-N 2 1 306.450 3.056 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000647498406 436066661 /nfs/dbraw/zinc/06/66/61/436066661.db2.gz GQJMYEXYGMGAEJ-YPMHNXCESA-N 2 1 307.488 3.431 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000647498406 436066662 /nfs/dbraw/zinc/06/66/62/436066662.db2.gz GQJMYEXYGMGAEJ-YPMHNXCESA-N 2 1 307.488 3.431 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000647496559 436066900 /nfs/dbraw/zinc/06/69/00/436066900.db2.gz UXPGFXTVQAVXAZ-DZKIICNBSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000647496559 436066906 /nfs/dbraw/zinc/06/69/06/436066906.db2.gz UXPGFXTVQAVXAZ-DZKIICNBSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000647496724 436066968 /nfs/dbraw/zinc/06/69/68/436066968.db2.gz IWNVSTSBULXZHE-UXLLHSPISA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000647496560 436067086 /nfs/dbraw/zinc/06/70/86/436067086.db2.gz UXPGFXTVQAVXAZ-IJEWVQPXSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000647496560 436067089 /nfs/dbraw/zinc/06/70/89/436067089.db2.gz UXPGFXTVQAVXAZ-IJEWVQPXSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000647496725 436067525 /nfs/dbraw/zinc/06/75/25/436067525.db2.gz IWNVSTSBULXZHE-YQQAZPJKSA-N 2 1 320.477 3.432 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000647514206 436070386 /nfs/dbraw/zinc/07/03/86/436070386.db2.gz PLILPINKRPTKSB-SFHVURJKSA-N 2 1 312.461 3.100 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539118 436075705 /nfs/dbraw/zinc/07/57/05/436075705.db2.gz XWOKXEAGNRKOFF-HNAYVOBHSA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539118 436075709 /nfs/dbraw/zinc/07/57/09/436075709.db2.gz XWOKXEAGNRKOFF-HNAYVOBHSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542696 436076895 /nfs/dbraw/zinc/07/68/95/436076895.db2.gz ABWJNLGLMLRSOC-KHMSUIGKSA-N 2 1 314.473 3.420 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000647544148 436077099 /nfs/dbraw/zinc/07/70/99/436077099.db2.gz XIUWDSDYZLCXKQ-RTBURBONSA-N 2 1 324.472 3.084 20 0 DGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2cn1 ZINC000647543810 436077925 /nfs/dbraw/zinc/07/79/25/436077925.db2.gz SJSIHHASKYVGHN-ICSRJNTNSA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccnc2c1 ZINC000647544055 436077992 /nfs/dbraw/zinc/07/79/92/436077992.db2.gz VWUZPTUCPINTEC-IRXDYDNUSA-N 2 1 309.457 3.446 20 0 DGADMP c1cnc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647543266 436078442 /nfs/dbraw/zinc/07/84/42/436078442.db2.gz KESJRKOKINVQGX-OALUTQOASA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544089 436078938 /nfs/dbraw/zinc/07/89/38/436078938.db2.gz WODFFLAXHLTTTQ-MSOLQXFVSA-N 2 1 309.457 3.446 20 0 DGADMP CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000657111486 436081413 /nfs/dbraw/zinc/08/14/13/436081413.db2.gz ASFMBZFFPBDDSJ-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000647551257 436083674 /nfs/dbraw/zinc/08/36/74/436083674.db2.gz DBZPJLHQEVCSAZ-WFASDCNBSA-N 2 1 312.379 3.325 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803182 436126207 /nfs/dbraw/zinc/12/62/07/436126207.db2.gz LCTCEVOTANFTHR-DYESRHJHSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647803182 436126211 /nfs/dbraw/zinc/12/62/11/436126211.db2.gz LCTCEVOTANFTHR-DYESRHJHSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803182 436126214 /nfs/dbraw/zinc/12/62/14/436126214.db2.gz LCTCEVOTANFTHR-DYESRHJHSA-N 2 1 323.484 3.146 20 0 DGADMP Cc1cc(C)cc(OCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814194 436128214 /nfs/dbraw/zinc/12/82/14/436128214.db2.gz BWUONWMPDKFOFT-UHFFFAOYSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@@H](NCc1cnc2n1CCC2)c1cccc(OC(F)F)c1 ZINC000657310709 436129307 /nfs/dbraw/zinc/12/93/07/436129307.db2.gz RNLLOENJIAAKOU-LLVKDONJSA-N 2 1 307.344 3.282 20 0 DGADMP CC[C@H]1CCC[C@H]([NH2+]CCCCN2CC[NH+](CC)CC2)CC1 ZINC000657308137 436130333 /nfs/dbraw/zinc/13/03/33/436130333.db2.gz OLGGCMKQHLVAPK-OALUTQOASA-N 2 1 309.542 3.353 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657314343 436131324 /nfs/dbraw/zinc/13/13/24/436131324.db2.gz ZZQKCORWDMISIE-IYBDPMFKSA-N 2 1 318.509 3.145 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657314343 436131328 /nfs/dbraw/zinc/13/13/28/436131328.db2.gz ZZQKCORWDMISIE-IYBDPMFKSA-N 2 1 318.509 3.145 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647856360 436135438 /nfs/dbraw/zinc/13/54/38/436135438.db2.gz GTMZASHGDIWZSE-OAHLLOKOSA-N 2 1 300.368 3.322 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647856360 436135442 /nfs/dbraw/zinc/13/54/42/436135442.db2.gz GTMZASHGDIWZSE-OAHLLOKOSA-N 2 1 300.368 3.322 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647856359 436137203 /nfs/dbraw/zinc/13/72/03/436137203.db2.gz GTMZASHGDIWZSE-HNNXBMFYSA-N 2 1 300.368 3.322 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647856359 436137213 /nfs/dbraw/zinc/13/72/13/436137213.db2.gz GTMZASHGDIWZSE-HNNXBMFYSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@@](C[NH3+])([NH2+]CCCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647867934 436137225 /nfs/dbraw/zinc/13/72/25/436137225.db2.gz SKFHHBAFBRQFSD-HNNXBMFYSA-N 2 1 300.368 3.355 20 0 DGADMP CC[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000647938652 436154353 /nfs/dbraw/zinc/15/43/53/436154353.db2.gz RENRHRVWGVSYDM-BXUZGUMPSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000647938652 436154357 /nfs/dbraw/zinc/15/43/57/436154357.db2.gz RENRHRVWGVSYDM-BXUZGUMPSA-N 2 1 317.260 3.431 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1F ZINC000661658939 436139174 /nfs/dbraw/zinc/13/91/74/436139174.db2.gz HKYXBBSPFVGBCQ-QGZVFWFLSA-N 2 1 317.408 3.338 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1F ZINC000661658939 436139182 /nfs/dbraw/zinc/13/91/82/436139182.db2.gz HKYXBBSPFVGBCQ-QGZVFWFLSA-N 2 1 317.408 3.338 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647882608 436140743 /nfs/dbraw/zinc/14/07/43/436140743.db2.gz CMJPCTUXKUNXMB-LJQANCHMSA-N 2 1 316.489 3.482 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666082174 436142150 /nfs/dbraw/zinc/14/21/50/436142150.db2.gz GCLUKHYVYMSHIE-UKRRQHHQSA-N 2 1 304.865 3.271 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000657347955 436151360 /nfs/dbraw/zinc/15/13/60/436151360.db2.gz YRHVTPOMXLEISK-AWEZNQCLSA-N 2 1 301.434 3.325 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@@H]1[NH3+] ZINC000647936991 436152794 /nfs/dbraw/zinc/15/27/94/436152794.db2.gz PCKSFYPBCUSYPL-LRDDRELGSA-N 2 1 303.381 3.040 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@@H]1[NH3+] ZINC000647936991 436152799 /nfs/dbraw/zinc/15/27/99/436152799.db2.gz PCKSFYPBCUSYPL-LRDDRELGSA-N 2 1 303.381 3.040 20 0 DGADMP Fc1ccc2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)nc2c1F ZINC000647925223 436153097 /nfs/dbraw/zinc/15/30/97/436153097.db2.gz XFISEKQTMUFGOG-GFCCVEGCSA-N 2 1 317.383 3.087 20 0 DGADMP Fc1ccc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)nc2c1F ZINC000647925223 436153101 /nfs/dbraw/zinc/15/31/01/436153101.db2.gz XFISEKQTMUFGOG-GFCCVEGCSA-N 2 1 317.383 3.087 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647937402 436153282 /nfs/dbraw/zinc/15/32/82/436153282.db2.gz XYABHCFOGFWOPV-NHYWBVRUSA-N 2 1 317.260 3.431 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000661577393 436112570 /nfs/dbraw/zinc/11/25/70/436112570.db2.gz ABCJQKWSLUOXBD-HXUWFJFHSA-N 2 1 321.553 3.305 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000661705987 436161151 /nfs/dbraw/zinc/16/11/51/436161151.db2.gz HCSQUJXNSPYVBQ-IEBWSBKVSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@]2(C)CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000661705987 436161158 /nfs/dbraw/zinc/16/11/58/436161158.db2.gz HCSQUJXNSPYVBQ-IEBWSBKVSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@]2(C)CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000661705987 436161163 /nfs/dbraw/zinc/16/11/63/436161163.db2.gz HCSQUJXNSPYVBQ-IEBWSBKVSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@]2(C)CC[N@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000661706451 436161516 /nfs/dbraw/zinc/16/15/16/436161516.db2.gz KONWQNOMUXFBNO-LJQANCHMSA-N 2 1 313.445 3.254 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000661706451 436161519 /nfs/dbraw/zinc/16/15/19/436161519.db2.gz KONWQNOMUXFBNO-LJQANCHMSA-N 2 1 313.445 3.254 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657374537 436166629 /nfs/dbraw/zinc/16/66/29/436166629.db2.gz MYMNWJWMCUTGJJ-UHFFFAOYSA-N 2 1 317.408 3.442 20 0 DGADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975751 436167360 /nfs/dbraw/zinc/16/73/60/436167360.db2.gz FMZZWWRJDFVNGZ-JYJNAYRXSA-N 2 1 320.481 3.185 20 0 DGADMP C([NH+]1CCCSCC1)C1(C[N@H+]2CCCSCC2)CCC1 ZINC000647969861 436165194 /nfs/dbraw/zinc/16/51/94/436165194.db2.gz VJGPBPJIQTXUPE-UHFFFAOYSA-N 2 1 314.564 3.035 20 0 DGADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990930 436171537 /nfs/dbraw/zinc/17/15/37/436171537.db2.gz VYXCWLGPMKVYAU-HNAYVOBHSA-N 2 1 302.462 3.090 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657396076 436179640 /nfs/dbraw/zinc/17/96/40/436179640.db2.gz FZBINBFCBFIWGA-AWEZNQCLSA-N 2 1 321.428 3.174 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657430798 436197193 /nfs/dbraw/zinc/19/71/93/436197193.db2.gz RXWYEMAFINQSGZ-DSLXNQLJSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccnn1CC1CC1 ZINC000657440398 436202551 /nfs/dbraw/zinc/20/25/51/436202551.db2.gz ZATXGKQWCPGSKW-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP c1ccc2c(c1)onc2CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000653559889 436205300 /nfs/dbraw/zinc/20/53/00/436205300.db2.gz ZHICGWQODRMIOV-MRXNPFEDSA-N 2 1 313.445 3.178 20 0 DGADMP c1ccc2c(c1)onc2CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000653559889 436205304 /nfs/dbraw/zinc/20/53/04/436205304.db2.gz ZHICGWQODRMIOV-MRXNPFEDSA-N 2 1 313.445 3.178 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563578 436207810 /nfs/dbraw/zinc/20/78/10/436207810.db2.gz UDKTVJOUHIBRQU-VBQJREDUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563578 436207813 /nfs/dbraw/zinc/20/78/13/436207813.db2.gz UDKTVJOUHIBRQU-VBQJREDUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563578 436207817 /nfs/dbraw/zinc/20/78/17/436207817.db2.gz UDKTVJOUHIBRQU-VBQJREDUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563578 436207820 /nfs/dbraw/zinc/20/78/20/436207820.db2.gz UDKTVJOUHIBRQU-VBQJREDUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563578 436207825 /nfs/dbraw/zinc/20/78/25/436207825.db2.gz UDKTVJOUHIBRQU-VBQJREDUSA-N 2 1 312.885 3.076 20 0 DGADMP CC(C)O[C@H](C[N@H+]1CC[C@H](c2nccn2C)C1)c1ccccc1 ZINC000653590681 436217871 /nfs/dbraw/zinc/21/78/71/436217871.db2.gz VQSHJHWKYVBGDL-ZWKOTPCHSA-N 2 1 313.445 3.376 20 0 DGADMP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855449 436295919 /nfs/dbraw/zinc/29/59/19/436295919.db2.gz SHHHEZGPSQUWSR-GFCCVEGCSA-N 2 1 317.658 3.334 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCCCCC3)cc2)C1 ZINC000657596013 436256597 /nfs/dbraw/zinc/25/65/97/436256597.db2.gz TYOUBRPROJLXKM-LJQANCHMSA-N 2 1 302.462 3.066 20 0 DGADMP Cc1cc(C)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594217 436256775 /nfs/dbraw/zinc/25/67/75/436256775.db2.gz GSMMYOXZBRGYCD-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000657596758 436258105 /nfs/dbraw/zinc/25/81/05/436258105.db2.gz YREPACXINKIYDE-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657630968 436264379 /nfs/dbraw/zinc/26/43/79/436264379.db2.gz SQMPIRVSRPDGSC-QRQLOZEOSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000657630968 436264384 /nfs/dbraw/zinc/26/43/84/436264384.db2.gz SQMPIRVSRPDGSC-QRQLOZEOSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000657665855 436272222 /nfs/dbraw/zinc/27/22/22/436272222.db2.gz QQSVKLSGHSDVNG-APWZRJJASA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000666769029 436277665 /nfs/dbraw/zinc/27/76/65/436277665.db2.gz QQJYYEHQPONOMP-DOMZBBRYSA-N 2 1 311.267 3.284 20 0 DGADMP C[C@H]([NH2+]Cc1c(Cl)ccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000666774174 436279553 /nfs/dbraw/zinc/27/95/53/436279553.db2.gz NBFHNTFVCRWQLJ-GXTWGEPZSA-N 2 1 303.837 3.366 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000657701870 436281843 /nfs/dbraw/zinc/28/18/43/436281843.db2.gz DATYPFYTRCBFKN-DLBZAZTESA-N 2 1 317.477 3.364 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)C1 ZINC000657974842 436348805 /nfs/dbraw/zinc/34/88/05/436348805.db2.gz UYJDTEMACUCVBC-SZMVWBNQSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)C1 ZINC000657974842 436348808 /nfs/dbraw/zinc/34/88/08/436348808.db2.gz UYJDTEMACUCVBC-SZMVWBNQSA-N 2 1 322.880 3.022 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657997320 436351502 /nfs/dbraw/zinc/35/15/02/436351502.db2.gz BQDLNAMONUMODK-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657772268 436301664 /nfs/dbraw/zinc/30/16/64/436301664.db2.gz LGTFDKFIDKTORJ-NEWSRXKRSA-N 2 1 314.473 3.056 20 0 DGADMP COc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000657778375 436303156 /nfs/dbraw/zinc/30/31/56/436303156.db2.gz GFLXQBRJWBIKMS-DLBZAZTESA-N 2 1 300.446 3.291 20 0 DGADMP CC1(C)OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657785734 436304277 /nfs/dbraw/zinc/30/42/77/436304277.db2.gz KASQQYWYEKFIMH-KRWDZBQOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244944 436311219 /nfs/dbraw/zinc/31/12/19/436311219.db2.gz JOJYVDWRDMXEGW-VXGBXAGGSA-N 2 1 300.418 3.116 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244944 436311221 /nfs/dbraw/zinc/31/12/21/436311221.db2.gz JOJYVDWRDMXEGW-VXGBXAGGSA-N 2 1 300.418 3.116 20 0 DGADMP c1ccc2cc(C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C3CC3)ccc2c1 ZINC000662250735 436313126 /nfs/dbraw/zinc/31/31/26/436313126.db2.gz NBUAZMXJSTVULN-FQEVSTJZSA-N 2 1 322.452 3.325 20 0 DGADMP Oc1cccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC2CC2)c1 ZINC000662252546 436313252 /nfs/dbraw/zinc/31/32/52/436313252.db2.gz ACEJFECDKLTQKZ-UHFFFAOYSA-N 2 1 322.452 3.450 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cncc(Br)c1 ZINC000657817205 436316200 /nfs/dbraw/zinc/31/62/00/436316200.db2.gz QCNWPUDNUDSZGB-NSHDSACASA-N 2 1 314.271 3.083 20 0 DGADMP FC(F)(F)CC[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1CC1 ZINC000662259093 436316728 /nfs/dbraw/zinc/31/67/28/436316728.db2.gz PUFSBXWVORZFLM-UHFFFAOYSA-N 2 1 312.379 3.497 20 0 DGADMP Cc1nocc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270541 436318897 /nfs/dbraw/zinc/31/88/97/436318897.db2.gz MCICZZBAWBGTPU-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000666983160 436320551 /nfs/dbraw/zinc/32/05/51/436320551.db2.gz ONWYAWGOBKFWCF-ZRGWGRIASA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2)c1nccs1 ZINC000662279554 436322033 /nfs/dbraw/zinc/32/20/33/436322033.db2.gz UZTROMAISKZUBF-CYBMUJFWSA-N 2 1 301.459 3.024 20 0 DGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662285846 436323347 /nfs/dbraw/zinc/32/33/47/436323347.db2.gz NRKCGLGCAQLTPX-XWTMOSNGSA-N 2 1 308.510 3.421 20 0 DGADMP Fc1ccc2c(c1F)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662285250 436323832 /nfs/dbraw/zinc/32/38/32/436323832.db2.gz IFGCXPVGBBKEFM-UHFFFAOYSA-N 2 1 314.379 3.169 20 0 DGADMP Fc1ccc2c(c1F)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662285250 436323834 /nfs/dbraw/zinc/32/38/34/436323834.db2.gz IFGCXPVGBBKEFM-UHFFFAOYSA-N 2 1 314.379 3.169 20 0 DGADMP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294244 436325445 /nfs/dbraw/zinc/32/54/45/436325445.db2.gz QEYGXEGEQAZNAU-ZFWWWQNUSA-N 2 1 323.506 3.062 20 0 DGADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662293779 436325625 /nfs/dbraw/zinc/32/56/25/436325625.db2.gz TTYKFANLVYOWTD-DZGCQCFKSA-N 2 1 323.506 3.062 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662318564 436329094 /nfs/dbraw/zinc/32/90/94/436329094.db2.gz BTVPPHOKUPFRHH-LBPRGKRZSA-N 2 1 309.251 3.073 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662318564 436329098 /nfs/dbraw/zinc/32/90/98/436329098.db2.gz BTVPPHOKUPFRHH-LBPRGKRZSA-N 2 1 309.251 3.073 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000667039539 436329289 /nfs/dbraw/zinc/32/92/89/436329289.db2.gz VMNMOHAETYDYNK-HLLBOEOZSA-N 2 1 320.477 3.289 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CCO1 ZINC000662324829 436330178 /nfs/dbraw/zinc/33/01/78/436330178.db2.gz YPRZCFCKZHQPCP-INIZCTEOSA-N 2 1 312.404 3.167 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCO1 ZINC000662324829 436330181 /nfs/dbraw/zinc/33/01/81/436330181.db2.gz YPRZCFCKZHQPCP-INIZCTEOSA-N 2 1 312.404 3.167 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)CCO1 ZINC000662324469 436330376 /nfs/dbraw/zinc/33/03/76/436330376.db2.gz WCBOIODOHVOZTR-YZTRRJNXSA-N 2 1 322.880 3.396 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CCO1 ZINC000662324469 436330379 /nfs/dbraw/zinc/33/03/79/436330379.db2.gz WCBOIODOHVOZTR-YZTRRJNXSA-N 2 1 322.880 3.396 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662322500 436331215 /nfs/dbraw/zinc/33/12/15/436331215.db2.gz IFSDEQBQTUDCRV-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662322500 436331220 /nfs/dbraw/zinc/33/12/20/436331220.db2.gz IFSDEQBQTUDCRV-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CC[C@H](C)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326800 436331229 /nfs/dbraw/zinc/33/12/29/436331229.db2.gz CHOIHUFSLWVQMW-AWEZNQCLSA-N 2 1 304.482 3.102 20 0 DGADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)C(F)F ZINC000657914717 436339071 /nfs/dbraw/zinc/33/90/71/436339071.db2.gz FOJGEJIWYLABBC-CQSZACIVSA-N 2 1 318.452 3.291 20 0 DGADMP Cc1cc(C)c(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)n1 ZINC000654087745 436340948 /nfs/dbraw/zinc/34/09/48/436340948.db2.gz LTNVHZDAIIAPKO-HZPDHXFCSA-N 2 1 316.449 3.145 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662621725 436371062 /nfs/dbraw/zinc/37/10/62/436371062.db2.gz JMDYZZLTKINPDO-IRXDYDNUSA-N 2 1 323.525 3.053 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091058 436371143 /nfs/dbraw/zinc/37/11/43/436371143.db2.gz KOHOOGAEYGWICN-CVEARBPZSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091058 436371145 /nfs/dbraw/zinc/37/11/45/436371145.db2.gz KOHOOGAEYGWICN-CVEARBPZSA-N 2 1 317.477 3.175 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC[N@H+](C(C)(C)C)C3)CC2)C1 ZINC000658089934 436371954 /nfs/dbraw/zinc/37/19/54/436371954.db2.gz CEBVPECUHABRNK-BHIYHBOVSA-N 2 1 321.553 3.492 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[N@H+](C(C)(C)C)C3)CC2)C1 ZINC000658089938 436372388 /nfs/dbraw/zinc/37/23/88/436372388.db2.gz CEBVPECUHABRNK-QRQLOZEOSA-N 2 1 321.553 3.492 20 0 DGADMP OCC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000662748989 436383914 /nfs/dbraw/zinc/38/39/14/436383914.db2.gz VGIPWIZXOGKEBZ-SFHVURJKSA-N 2 1 316.489 3.267 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136308 436385168 /nfs/dbraw/zinc/38/51/68/436385168.db2.gz HSPKTKYTXGGOOX-MAUKXSAKSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658140636 436387276 /nfs/dbraw/zinc/38/72/76/436387276.db2.gz VRXSPJLGCGZOAC-WOUAJJJCSA-N 2 1 316.489 3.168 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)C1 ZINC000658144965 436387533 /nfs/dbraw/zinc/38/75/33/436387533.db2.gz PNBQAROQODRDBB-CTNGQTDRSA-N 2 1 322.452 3.030 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C2CC(CF)(CF)C2)[C@H](c2ccccc2)C1 ZINC000658042067 436358411 /nfs/dbraw/zinc/35/84/11/436358411.db2.gz QAAKPPKLLATMAX-WBVHZDCISA-N 2 1 308.416 3.009 20 0 DGADMP COC1CC(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658055969 436359803 /nfs/dbraw/zinc/35/98/03/436359803.db2.gz NVNFGDMJADHNRG-OXHPOLQJSA-N 2 1 316.489 3.302 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCOC3)C3(CCC3)C2)cc1 ZINC000658319961 436429921 /nfs/dbraw/zinc/42/99/21/436429921.db2.gz KMUWLXKSCVFDMI-RBUKOAKNSA-N 2 1 314.473 3.057 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320364 436430038 /nfs/dbraw/zinc/43/00/38/436430038.db2.gz UGSWOQHGFIJKNU-SCTDSRPQSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@@H](COC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319454 436430215 /nfs/dbraw/zinc/43/02/15/436430215.db2.gz BDOQLQUFVJXWFB-OALUTQOASA-N 2 1 316.489 3.303 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343794 436442377 /nfs/dbraw/zinc/44/23/77/436442377.db2.gz FKVVVYZFEMSMDZ-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343794 436442382 /nfs/dbraw/zinc/44/23/82/436442382.db2.gz FKVVVYZFEMSMDZ-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663344058 436443237 /nfs/dbraw/zinc/44/32/37/436443237.db2.gz NFWKCIWXTVQOQP-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663344058 436443241 /nfs/dbraw/zinc/44/32/41/436443241.db2.gz NFWKCIWXTVQOQP-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466337 436463269 /nfs/dbraw/zinc/46/32/69/436463269.db2.gz RIGLOAABARAIOD-MTQWCTHYSA-N 2 1 320.521 3.293 20 0 DGADMP CC(C)n1cc([C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468586 436464680 /nfs/dbraw/zinc/46/46/80/436464680.db2.gz MJKBSFKUNGABSK-DOTOQJQBSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663468586 436464683 /nfs/dbraw/zinc/46/46/83/436464683.db2.gz MJKBSFKUNGABSK-DOTOQJQBSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468586 436464688 /nfs/dbraw/zinc/46/46/88/436464688.db2.gz MJKBSFKUNGABSK-DOTOQJQBSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663467050 436465494 /nfs/dbraw/zinc/46/54/94/436465494.db2.gz ZIFATAQVRRNXKU-FGTMMUONSA-N 2 1 308.510 3.290 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000658251664 436411104 /nfs/dbraw/zinc/41/11/04/436411104.db2.gz GSUUIJJZMHGRJQ-NXOAAHMSSA-N 2 1 308.510 3.433 20 0 DGADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000658253330 436412539 /nfs/dbraw/zinc/41/25/39/436412539.db2.gz LMOSSCWWXKWRCW-IRXDYDNUSA-N 2 1 306.494 3.329 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)cc(C)n2)C1 ZINC000663674257 436489659 /nfs/dbraw/zinc/48/96/59/436489659.db2.gz RXZCSXFGZMNTMD-GFCCVEGCSA-N 2 1 301.356 3.187 20 0 DGADMP CC[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000663674257 436489661 /nfs/dbraw/zinc/48/96/61/436489661.db2.gz RXZCSXFGZMNTMD-GFCCVEGCSA-N 2 1 301.356 3.187 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000663674257 436489662 /nfs/dbraw/zinc/48/96/62/436489662.db2.gz RXZCSXFGZMNTMD-GFCCVEGCSA-N 2 1 301.356 3.187 20 0 DGADMP C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000664015876 436545238 /nfs/dbraw/zinc/54/52/38/436545238.db2.gz LJEIZTVCRFCBMV-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP CCN(Cc1cn(C)cn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659868582 436549746 /nfs/dbraw/zinc/54/97/46/436549746.db2.gz PKCMUOGRQLNKJS-APWZRJJASA-N 2 1 312.461 3.078 20 0 DGADMP COc1cccc(SCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000659948572 436566428 /nfs/dbraw/zinc/56/64/28/436566428.db2.gz PXDSIWACONTYLV-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP COc1cccc(SCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000659948572 436566433 /nfs/dbraw/zinc/56/64/33/436566433.db2.gz PXDSIWACONTYLV-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP COc1cccc(SCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000659948572 436566436 /nfs/dbraw/zinc/56/64/36/436566436.db2.gz PXDSIWACONTYLV-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000660317459 436622668 /nfs/dbraw/zinc/62/26/68/436622668.db2.gz PWHQSYKPCCMVKK-GOSISDBHSA-N 2 1 324.896 3.221 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000660317459 436622670 /nfs/dbraw/zinc/62/26/70/436622670.db2.gz PWHQSYKPCCMVKK-GOSISDBHSA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSc2cccc(OC)c2)[C@@H](C)C1 ZINC000660081870 436586754 /nfs/dbraw/zinc/58/67/54/436586754.db2.gz JUSNCRFPWHAWGV-MAUKXSAKSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSc2cccc(OC)c2)[C@@H](C)C1 ZINC000660081870 436586756 /nfs/dbraw/zinc/58/67/56/436586756.db2.gz JUSNCRFPWHAWGV-MAUKXSAKSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSc2cccc(OC)c2)[C@@H](C)C1 ZINC000660081870 436586759 /nfs/dbraw/zinc/58/67/59/436586759.db2.gz JUSNCRFPWHAWGV-MAUKXSAKSA-N 2 1 322.518 3.449 20 0 DGADMP c1ccc(COCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660116245 436590419 /nfs/dbraw/zinc/59/04/19/436590419.db2.gz XKJYYKVJYXDTHI-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660116245 436590420 /nfs/dbraw/zinc/59/04/20/436590420.db2.gz XKJYYKVJYXDTHI-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660116245 436590421 /nfs/dbraw/zinc/59/04/21/436590421.db2.gz XKJYYKVJYXDTHI-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1)CC1CC1 ZINC000660168599 436599951 /nfs/dbraw/zinc/59/99/51/436599951.db2.gz VEBPEBZKOCKBIW-SFHVURJKSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000660255732 436613562 /nfs/dbraw/zinc/61/35/62/436613562.db2.gz FRUHMEVRRUKVLR-KVSKMBFKSA-N 2 1 308.510 3.434 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000660304944 436621098 /nfs/dbraw/zinc/62/10/98/436621098.db2.gz HWRJKENYOHOMQF-OJAHFUOMSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000443217117 302209225 /nfs/dbraw/zinc/20/92/25/302209225.db2.gz QUMYJPUEMDIMDG-YLAKUSLOSA-N 2 1 315.505 3.201 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000443217117 302209227 /nfs/dbraw/zinc/20/92/27/302209227.db2.gz QUMYJPUEMDIMDG-YLAKUSLOSA-N 2 1 315.505 3.201 20 0 DGADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423304533 302887402 /nfs/dbraw/zinc/88/74/02/302887402.db2.gz OLOJFYZYNAYVBZ-GFCCVEGCSA-N 2 1 301.217 3.016 20 0 DGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000377091417 313015809 /nfs/dbraw/zinc/01/58/09/313015809.db2.gz DKRMDSUZDIRARN-SFHVURJKSA-N 2 1 316.493 3.184 20 0 DGADMP CSc1ccc(OCCN2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000377198645 313028345 /nfs/dbraw/zinc/02/83/45/313028345.db2.gz QHJMSIAKZLNHTP-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP CSc1ccc(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000377198645 313028348 /nfs/dbraw/zinc/02/83/48/313028348.db2.gz QHJMSIAKZLNHTP-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP CSc1ccc(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000377198645 313028351 /nfs/dbraw/zinc/02/83/51/313028351.db2.gz QHJMSIAKZLNHTP-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000377268250 313035271 /nfs/dbraw/zinc/03/52/71/313035271.db2.gz SEPWRZYYIASUOF-ZDUSSCGKSA-N 2 1 312.442 3.409 20 0 DGADMP Cn1ccnc1[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000377268250 313035275 /nfs/dbraw/zinc/03/52/75/313035275.db2.gz SEPWRZYYIASUOF-ZDUSSCGKSA-N 2 1 312.442 3.409 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727695 313067077 /nfs/dbraw/zinc/06/70/77/313067077.db2.gz HRVGZBXVGPORHS-AZUAARDMSA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727695 313067078 /nfs/dbraw/zinc/06/70/78/313067078.db2.gz HRVGZBXVGPORHS-AZUAARDMSA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727695 313067081 /nfs/dbraw/zinc/06/70/81/313067081.db2.gz HRVGZBXVGPORHS-AZUAARDMSA-N 2 1 314.473 3.331 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000530230207 313343752 /nfs/dbraw/zinc/34/37/52/313343752.db2.gz FNBWEWFFFAMHLX-VHBXLISGSA-N 2 1 316.489 3.148 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC000530249759 313348231 /nfs/dbraw/zinc/34/82/31/313348231.db2.gz YUAOHXJSUDAJNP-STQMWFEESA-N 2 1 312.379 3.452 20 0 DGADMP COc1ccccc1[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCCC1 ZINC000530460255 313372787 /nfs/dbraw/zinc/37/27/87/313372787.db2.gz CZHZVALKRIPWEV-LJQANCHMSA-N 2 1 313.445 3.492 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000530714469 313399215 /nfs/dbraw/zinc/39/92/15/313399215.db2.gz YKTQQOFSHVWNHT-AEFFLSMTSA-N 2 1 314.477 3.325 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000536307355 313756100 /nfs/dbraw/zinc/75/61/00/313756100.db2.gz JCESBOGKTQSETD-MANSERQUSA-N 2 1 320.521 3.434 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)cc3F)CC[C@H]21 ZINC000543629309 314146904 /nfs/dbraw/zinc/14/69/04/314146904.db2.gz MUYALKHXMPIZGV-DRJMZUFCSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)cc3F)CC[C@H]21 ZINC000543629309 314146907 /nfs/dbraw/zinc/14/69/07/314146907.db2.gz MUYALKHXMPIZGV-DRJMZUFCSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3ccc(F)cc3F)CC[C@H]21 ZINC000543629309 314146909 /nfs/dbraw/zinc/14/69/09/314146909.db2.gz MUYALKHXMPIZGV-DRJMZUFCSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)cc3F)CC[C@H]21 ZINC000543629309 314146911 /nfs/dbraw/zinc/14/69/11/314146911.db2.gz MUYALKHXMPIZGV-DRJMZUFCSA-N 2 1 306.400 3.394 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CCC2)cc1 ZINC000544373854 314188571 /nfs/dbraw/zinc/18/85/71/314188571.db2.gz UKIMCCQDAAMGFZ-TXPKVOOTSA-N 2 1 316.489 3.435 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CCC2)cc1 ZINC000544373853 314188582 /nfs/dbraw/zinc/18/85/82/314188582.db2.gz UKIMCCQDAAMGFZ-JTDSTZFVSA-N 2 1 316.489 3.435 20 0 DGADMP CCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000545191540 314230872 /nfs/dbraw/zinc/23/08/72/314230872.db2.gz DLJVPBAKBYDLJX-UHFFFAOYSA-N 2 1 316.489 3.242 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000545310339 314243931 /nfs/dbraw/zinc/24/39/31/314243931.db2.gz LDTZXWYJTUGERS-XGXHKWSGSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000545310339 314243933 /nfs/dbraw/zinc/24/39/33/314243933.db2.gz LDTZXWYJTUGERS-XGXHKWSGSA-N 2 1 316.489 3.300 20 0 DGADMP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000546566315 314311022 /nfs/dbraw/zinc/31/10/22/314311022.db2.gz LYMOIILJASCIBU-STIKNRRDSA-N 2 1 316.489 3.307 20 0 DGADMP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000546566315 314311025 /nfs/dbraw/zinc/31/10/25/314311025.db2.gz LYMOIILJASCIBU-STIKNRRDSA-N 2 1 316.489 3.307 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504797 314374527 /nfs/dbraw/zinc/37/45/27/314374527.db2.gz JBISKTJABIJZDU-PWIZWCRZSA-N 2 1 318.505 3.284 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)CC(C)C ZINC000554049657 314663254 /nfs/dbraw/zinc/66/32/54/314663254.db2.gz VJUQJSMIBZWYDW-ILXRZTDVSA-N 2 1 324.431 3.442 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000562782152 315052740 /nfs/dbraw/zinc/05/27/40/315052740.db2.gz KNDZRQXQSHFMKP-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000562782152 315052743 /nfs/dbraw/zinc/05/27/43/315052743.db2.gz KNDZRQXQSHFMKP-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP Cc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000562925058 315061552 /nfs/dbraw/zinc/06/15/52/315061552.db2.gz QDGBETPJAAYMMW-HXUWFJFHSA-N 2 1 316.489 3.415 20 0 DGADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000562959570 315065171 /nfs/dbraw/zinc/06/51/71/315065171.db2.gz YOSAVTPWHIBUNE-VQTJNVASSA-N 2 1 318.424 3.322 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000563969221 315151213 /nfs/dbraw/zinc/15/12/13/315151213.db2.gz NAOUSGREPFCMKG-AWEZNQCLSA-N 2 1 317.433 3.029 20 0 DGADMP CC[N@H+](CCCc1ccc2c(c1)CCO2)CCC[NH+]1CCCC1 ZINC000564324322 315169093 /nfs/dbraw/zinc/16/90/93/315169093.db2.gz UYYOMBLALCWNRJ-UHFFFAOYSA-N 2 1 316.489 3.362 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000564327373 315169919 /nfs/dbraw/zinc/16/99/19/315169919.db2.gz ZSAMHUGEGTWEJK-GUYCJALGSA-N 2 1 306.498 3.027 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000564327373 315169921 /nfs/dbraw/zinc/16/99/21/315169921.db2.gz ZSAMHUGEGTWEJK-GUYCJALGSA-N 2 1 306.498 3.027 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000564327371 315170003 /nfs/dbraw/zinc/17/00/03/315170003.db2.gz ZSAMHUGEGTWEJK-CXAGYDPISA-N 2 1 306.498 3.027 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000564327371 315170007 /nfs/dbraw/zinc/17/00/07/315170007.db2.gz ZSAMHUGEGTWEJK-CXAGYDPISA-N 2 1 306.498 3.027 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCC(C)C ZINC000564466164 315177939 /nfs/dbraw/zinc/17/79/39/315177939.db2.gz ZJPFKAZIFOQAID-NVXWUHKLSA-N 2 1 320.477 3.432 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCC(C)C ZINC000564466164 315177943 /nfs/dbraw/zinc/17/79/43/315177943.db2.gz ZJPFKAZIFOQAID-NVXWUHKLSA-N 2 1 320.477 3.432 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cncnc1C ZINC000564585929 315184943 /nfs/dbraw/zinc/18/49/43/315184943.db2.gz RVUITDKDGMQZHE-XYJFISCASA-N 2 1 304.482 3.336 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000565290671 315250107 /nfs/dbraw/zinc/25/01/07/315250107.db2.gz QYNVHQCODFAMLR-INIZCTEOSA-N 2 1 301.478 3.028 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000565290671 315250108 /nfs/dbraw/zinc/25/01/08/315250108.db2.gz QYNVHQCODFAMLR-INIZCTEOSA-N 2 1 301.478 3.028 20 0 DGADMP COc1ccc([C@@H](NC[C@H]2CCC[N@@H+](C)C2)C(C)C)c(F)c1 ZINC000566084878 315311344 /nfs/dbraw/zinc/31/13/44/315311344.db2.gz UAWNVVRLFPLJGA-KDOFPFPSSA-N 2 1 308.441 3.463 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000566084878 315311346 /nfs/dbraw/zinc/31/13/46/315311346.db2.gz UAWNVVRLFPLJGA-KDOFPFPSSA-N 2 1 308.441 3.463 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000566709144 315368691 /nfs/dbraw/zinc/36/86/91/315368691.db2.gz FMUOLSONYVYKLE-CABCVRRESA-N 2 1 310.457 3.331 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1F ZINC000566709144 315368689 /nfs/dbraw/zinc/36/86/89/315368689.db2.gz FMUOLSONYVYKLE-CABCVRRESA-N 2 1 310.457 3.331 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nc(-c2ccncc2)cs1 ZINC000569833944 315606550 /nfs/dbraw/zinc/60/65/50/315606550.db2.gz LLVCMZQBUZAFGZ-KCQAQPDRSA-N 2 1 316.474 3.244 20 0 DGADMP C[NH+]1CCC([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000572703912 315811083 /nfs/dbraw/zinc/81/10/83/315811083.db2.gz WXYKWQMKEIDYPJ-OAHLLOKOSA-N 2 1 300.368 3.406 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574877670 316010691 /nfs/dbraw/zinc/01/06/91/316010691.db2.gz LPGANAVMLWCRRA-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999329 316084822 /nfs/dbraw/zinc/08/48/22/316084822.db2.gz GATCPLMBJDNSAV-OALUTQOASA-N 2 1 304.478 3.260 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999329 316084826 /nfs/dbraw/zinc/08/48/26/316084826.db2.gz GATCPLMBJDNSAV-OALUTQOASA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999329 316084829 /nfs/dbraw/zinc/08/48/29/316084829.db2.gz GATCPLMBJDNSAV-OALUTQOASA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000575999329 316084833 /nfs/dbraw/zinc/08/48/33/316084833.db2.gz GATCPLMBJDNSAV-OALUTQOASA-N 2 1 304.478 3.260 20 0 DGADMP CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c2ccccn21 ZINC000576830694 316172285 /nfs/dbraw/zinc/17/22/85/316172285.db2.gz WAVCANZEDRSHSU-INIZCTEOSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c2ccccn21 ZINC000576830694 316172287 /nfs/dbraw/zinc/17/22/87/316172287.db2.gz WAVCANZEDRSHSU-INIZCTEOSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c2ccccn21 ZINC000576830694 316172289 /nfs/dbraw/zinc/17/22/89/316172289.db2.gz WAVCANZEDRSHSU-INIZCTEOSA-N 2 1 314.477 3.372 20 0 DGADMP c1cc(-c2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000577062527 316198145 /nfs/dbraw/zinc/19/81/45/316198145.db2.gz JPHAQFZJJDGJAY-MRXNPFEDSA-N 2 1 319.499 3.447 20 0 DGADMP c1cc(-c2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000577062527 316198147 /nfs/dbraw/zinc/19/81/47/316198147.db2.gz JPHAQFZJJDGJAY-MRXNPFEDSA-N 2 1 319.499 3.447 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000577094529 316201634 /nfs/dbraw/zinc/20/16/34/316201634.db2.gz LQLBJTZQNGWLBB-MRXNPFEDSA-N 2 1 314.477 3.448 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2=CCCOC2)CC1)CC(C)C ZINC000577543011 316246580 /nfs/dbraw/zinc/24/65/80/316246580.db2.gz UDNZEUPECZFZJA-UHFFFAOYSA-N 2 1 308.510 3.413 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000577561471 316247637 /nfs/dbraw/zinc/24/76/37/316247637.db2.gz QEODMROMHDVOTE-OAHLLOKOSA-N 2 1 316.367 3.366 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncccc2O)CC1)CC(C)C ZINC000577717424 316263617 /nfs/dbraw/zinc/26/36/17/316263617.db2.gz XTRZDFGGYXJMTO-UHFFFAOYSA-N 2 1 319.493 3.367 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000577939084 316286072 /nfs/dbraw/zinc/28/60/72/316286072.db2.gz LVFPPWYMWPQRED-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179835846 323215789 /nfs/dbraw/zinc/21/57/89/323215789.db2.gz MAPXTSXAJCJKCD-OAHLLOKOSA-N 2 1 317.437 3.219 20 0 DGADMP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc2nccn21 ZINC000180328515 323227047 /nfs/dbraw/zinc/22/70/47/323227047.db2.gz TXASFHGFXGGCBY-LJQANCHMSA-N 2 1 323.440 3.353 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000180699585 323236947 /nfs/dbraw/zinc/23/69/47/323236947.db2.gz FZLXPXGQSIIZNX-HZPDHXFCSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000180699585 323236951 /nfs/dbraw/zinc/23/69/51/323236951.db2.gz FZLXPXGQSIIZNX-HZPDHXFCSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1CCCC[C@@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000183741342 323347405 /nfs/dbraw/zinc/34/74/05/323347405.db2.gz SMXGVAXEELAQTA-ZWKOTPCHSA-N 2 1 308.510 3.437 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000185870175 323397939 /nfs/dbraw/zinc/39/79/39/323397939.db2.gz BEKJDBUJBWEPPV-MSOLQXFVSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000388358849 323652458 /nfs/dbraw/zinc/65/24/58/323652458.db2.gz LJHBLNWKVLHHFR-GJYPPUQNSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000580311325 323982661 /nfs/dbraw/zinc/98/26/61/323982661.db2.gz HRUKIXRSAYREHV-IUCAKERBSA-N 2 1 305.647 3.318 20 0 DGADMP Clc1ccsc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000580860035 324046698 /nfs/dbraw/zinc/04/66/98/324046698.db2.gz KYGMTKMUZATGDS-ZDUSSCGKSA-N 2 1 314.882 3.088 20 0 DGADMP Clc1ccsc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000580860035 324046701 /nfs/dbraw/zinc/04/67/01/324046701.db2.gz KYGMTKMUZATGDS-ZDUSSCGKSA-N 2 1 314.882 3.088 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2snnc2C)CC1)CC1CC1 ZINC000581551170 324129657 /nfs/dbraw/zinc/12/96/57/324129657.db2.gz DAJXAZXOORXCOV-UHFFFAOYSA-N 2 1 322.522 3.181 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000581913829 324167117 /nfs/dbraw/zinc/16/71/17/324167117.db2.gz BLDAQLJSKDMUIH-ULQDDVLXSA-N 2 1 310.869 3.490 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000582150561 324196166 /nfs/dbraw/zinc/19/61/66/324196166.db2.gz GVBZUGZOSDZVPB-IYOUNJFTSA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000582150561 324196168 /nfs/dbraw/zinc/19/61/68/324196168.db2.gz GVBZUGZOSDZVPB-IYOUNJFTSA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000582150561 324196171 /nfs/dbraw/zinc/19/61/71/324196171.db2.gz GVBZUGZOSDZVPB-IYOUNJFTSA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000582150561 324196174 /nfs/dbraw/zinc/19/61/74/324196174.db2.gz GVBZUGZOSDZVPB-IYOUNJFTSA-N 2 1 324.896 3.219 20 0 DGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587905 324249412 /nfs/dbraw/zinc/24/94/12/324249412.db2.gz GPCJMDFMTNXWBL-IUODEOHRSA-N 2 1 310.388 3.110 20 0 DGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932843 324292278 /nfs/dbraw/zinc/29/22/78/324292278.db2.gz VHNCOTKDAHLAQE-CJNGLKHVSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932843 324292282 /nfs/dbraw/zinc/29/22/82/324292282.db2.gz VHNCOTKDAHLAQE-CJNGLKHVSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932843 324292285 /nfs/dbraw/zinc/29/22/85/324292285.db2.gz VHNCOTKDAHLAQE-CJNGLKHVSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932843 324292287 /nfs/dbraw/zinc/29/22/87/324292287.db2.gz VHNCOTKDAHLAQE-CJNGLKHVSA-N 2 1 312.404 3.103 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1)CC1CC1 ZINC000583634372 324379184 /nfs/dbraw/zinc/37/91/84/324379184.db2.gz SHUZCCNQZFAHPH-PMACEKPBSA-N 2 1 322.537 3.372 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1Oc1cccnc1 ZINC000584477363 337347684 /nfs/dbraw/zinc/34/76/84/337347684.db2.gz ATPCCEQOQFOADG-DOTOQJQBSA-N 2 1 311.429 3.494 20 0 DGADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000294920855 533769050 /nfs/dbraw/zinc/76/90/50/533769050.db2.gz GUZDVAHNIMPWIB-HUUCEWRRSA-N 2 1 308.853 3.108 20 0 DGADMP COc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000294920844 533770183 /nfs/dbraw/zinc/77/01/83/533770183.db2.gz GUZDVAHNIMPWIB-GJZGRUSLSA-N 2 1 308.853 3.108 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000432786100 533777136 /nfs/dbraw/zinc/77/71/36/533777136.db2.gz NRZUCPBKYSKHOC-RDJZCZTQSA-N 2 1 322.468 3.429 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408524 533850225 /nfs/dbraw/zinc/85/02/25/533850225.db2.gz BSUVAIDUGLYRDL-ROUUACIJSA-N 2 1 318.505 3.443 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408524 533850233 /nfs/dbraw/zinc/85/02/33/533850233.db2.gz BSUVAIDUGLYRDL-ROUUACIJSA-N 2 1 318.505 3.443 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1C[NH3+] ZINC000415138967 534040790 /nfs/dbraw/zinc/04/07/90/534040790.db2.gz ZJQUMNFZPFXLDZ-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000318693023 534405966 /nfs/dbraw/zinc/40/59/66/534405966.db2.gz PHSIBWZLMNMGEE-KGLIPLIRSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000318693023 534405971 /nfs/dbraw/zinc/40/59/71/534405971.db2.gz PHSIBWZLMNMGEE-KGLIPLIRSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000318693027 534407239 /nfs/dbraw/zinc/40/72/39/534407239.db2.gz PHSIBWZLMNMGEE-ZIAGYGMSSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000318693027 534407248 /nfs/dbraw/zinc/40/72/48/534407248.db2.gz PHSIBWZLMNMGEE-ZIAGYGMSSA-N 2 1 314.351 3.302 20 0 DGADMP Cc1ccncc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309685912 534420662 /nfs/dbraw/zinc/42/06/62/534420662.db2.gz ASUIVKZYIQTINJ-MJGOQNOKSA-N 2 1 309.457 3.390 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1-c1cccs1 ZINC000415044057 534467523 /nfs/dbraw/zinc/46/75/23/534467523.db2.gz RYRMMRWLPDWBCL-AWEZNQCLSA-N 2 1 320.433 3.022 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000157538318 523452725 /nfs/dbraw/zinc/45/27/25/523452725.db2.gz VOJRCVGQWAICQE-OAHLLOKOSA-N 2 1 304.482 3.351 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157472054 523810718 /nfs/dbraw/zinc/81/07/18/523810718.db2.gz OBFHIPDQTDJPHG-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157472054 523810723 /nfs/dbraw/zinc/81/07/23/523810723.db2.gz OBFHIPDQTDJPHG-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)cn1 ZINC000157350912 526524540 /nfs/dbraw/zinc/52/45/40/526524540.db2.gz HLTCYMFPLSKCCA-IBGZPJMESA-N 2 1 324.472 3.323 20 0 DGADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357054 526636879 /nfs/dbraw/zinc/63/68/79/526636879.db2.gz LBTNSXRIWGBYDB-KOLCDFICSA-N 2 1 315.280 3.230 20 0 DGADMP Brc1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415081340 526638981 /nfs/dbraw/zinc/63/89/81/526638981.db2.gz MSBYWXGHKGNHMC-HNNXBMFYSA-N 2 1 323.278 3.212 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415044055 526696890 /nfs/dbraw/zinc/69/68/90/526696890.db2.gz ADCRJDVASDSCGD-SFHVURJKSA-N 2 1 313.445 3.124 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045056 526794652 /nfs/dbraw/zinc/79/46/52/526794652.db2.gz OMFRURUFOYARMN-QAPCUYQASA-N 2 1 302.462 3.047 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045056 526794657 /nfs/dbraw/zinc/79/46/57/526794657.db2.gz OMFRURUFOYARMN-QAPCUYQASA-N 2 1 302.462 3.047 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000431074195 527258653 /nfs/dbraw/zinc/25/86/53/527258653.db2.gz QXPAGMVWULBBRD-UHFFFAOYSA-N 2 1 306.454 3.200 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000431074195 527258661 /nfs/dbraw/zinc/25/86/61/527258661.db2.gz QXPAGMVWULBBRD-UHFFFAOYSA-N 2 1 306.454 3.200 20 0 DGADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415037228 527470972 /nfs/dbraw/zinc/47/09/72/527470972.db2.gz MQAGLMFNPGLBJJ-WSKOVJCJSA-N 2 1 320.436 3.086 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(CO)c2)c1 ZINC000305671537 527845843 /nfs/dbraw/zinc/84/58/43/527845843.db2.gz XIJKXIZSSGPDFH-MRXNPFEDSA-N 2 1 312.457 3.481 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000430580299 527943109 /nfs/dbraw/zinc/94/31/09/527943109.db2.gz LXCPYLGSVBMOCQ-IBGZPJMESA-N 2 1 313.445 3.124 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000430570792 527943152 /nfs/dbraw/zinc/94/31/52/527943152.db2.gz HBQXNOGBKUJAME-AWEZNQCLSA-N 2 1 304.356 3.091 20 0 DGADMP CC(C)O[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602895 528054721 /nfs/dbraw/zinc/05/47/21/528054721.db2.gz WBEIWTGVAZAJPZ-HKUYNNGSSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602895 528054737 /nfs/dbraw/zinc/05/47/37/528054737.db2.gz WBEIWTGVAZAJPZ-HKUYNNGSSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000292602895 528054738 /nfs/dbraw/zinc/05/47/38/528054738.db2.gz WBEIWTGVAZAJPZ-HKUYNNGSSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000292602895 528054742 /nfs/dbraw/zinc/05/47/42/528054742.db2.gz WBEIWTGVAZAJPZ-HKUYNNGSSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060113 528198641 /nfs/dbraw/zinc/19/86/41/528198641.db2.gz ODKJNIOYZLRFCE-HZPDHXFCSA-N 2 1 317.477 3.198 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000305833576 528251712 /nfs/dbraw/zinc/25/17/12/528251712.db2.gz OUHIRQYDAMITOE-FQEVSTJZSA-N 2 1 316.489 3.123 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000305833576 528251716 /nfs/dbraw/zinc/25/17/16/528251716.db2.gz OUHIRQYDAMITOE-FQEVSTJZSA-N 2 1 316.489 3.123 20 0 DGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000422970225 528257766 /nfs/dbraw/zinc/25/77/66/528257766.db2.gz VYDRAGATBYQIDG-HXUWFJFHSA-N 2 1 315.505 3.150 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442921786 528663015 /nfs/dbraw/zinc/66/30/15/528663015.db2.gz JVQCZONCYNCWPS-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000435373311 528673386 /nfs/dbraw/zinc/67/33/86/528673386.db2.gz DKZJRVHCVWFCCT-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000435373311 528673388 /nfs/dbraw/zinc/67/33/88/528673388.db2.gz DKZJRVHCVWFCCT-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459289070 535214803 /nfs/dbraw/zinc/21/48/03/535214803.db2.gz AMXADIKMDNQKEK-UHFFFAOYSA-N 2 1 316.493 3.298 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000469321102 535768564 /nfs/dbraw/zinc/76/85/64/535768564.db2.gz XBOUTADHAPWNIO-BDXSIMOUSA-N 2 1 309.542 3.063 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490053863 536353874 /nfs/dbraw/zinc/35/38/74/536353874.db2.gz ATLYEUDOAWVPMT-RTBURBONSA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490053863 536353878 /nfs/dbraw/zinc/35/38/78/536353878.db2.gz ATLYEUDOAWVPMT-RTBURBONSA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490053863 536353880 /nfs/dbraw/zinc/35/38/80/536353880.db2.gz ATLYEUDOAWVPMT-RTBURBONSA-N 2 1 301.478 3.437 20 0 DGADMP CC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168071 545822822 /nfs/dbraw/zinc/82/28/22/545822822.db2.gz YQZMTLBEXVXXCK-IBGZPJMESA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCSC1 ZINC000130636064 545951262 /nfs/dbraw/zinc/95/12/62/545951262.db2.gz ZQVLCCLUQQIQRC-KRWDZBQOSA-N 2 1 320.502 3.099 20 0 DGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000131377434 545956330 /nfs/dbraw/zinc/95/63/30/545956330.db2.gz JKBXZNDNPJMEPJ-FQEVSTJZSA-N 2 1 312.457 3.064 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156230894 546032342 /nfs/dbraw/zinc/03/23/42/546032342.db2.gz BMLRFWRNCWDNOF-QZTJIDSGSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000156230894 546032345 /nfs/dbraw/zinc/03/23/45/546032345.db2.gz BMLRFWRNCWDNOF-QZTJIDSGSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000156230774 546032737 /nfs/dbraw/zinc/03/27/37/546032737.db2.gz BMLRFWRNCWDNOF-ZWKOTPCHSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000156230774 546032742 /nfs/dbraw/zinc/03/27/42/546032742.db2.gz BMLRFWRNCWDNOF-ZWKOTPCHSA-N 2 1 317.521 3.217 20 0 DGADMP CCCN1CCC([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000158558080 546047622 /nfs/dbraw/zinc/04/76/22/546047622.db2.gz XFYPFAQDSTWAOH-QZTJIDSGSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159251095 546051982 /nfs/dbraw/zinc/05/19/82/546051982.db2.gz QYVCMJBHEVVJRN-XLIONFOSSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCN1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159251095 546051989 /nfs/dbraw/zinc/05/19/89/546051989.db2.gz QYVCMJBHEVVJRN-XLIONFOSSA-N 2 1 321.553 3.351 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000161597441 546071183 /nfs/dbraw/zinc/07/11/83/546071183.db2.gz FYQPKFVEABHCOU-ZACQAIPSSA-N 2 1 316.445 3.125 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000166106798 546095147 /nfs/dbraw/zinc/09/51/47/546095147.db2.gz RKINOLYTRJWBGI-QRVBRYPASA-N 3 1 307.526 3.103 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180337274 546144897 /nfs/dbraw/zinc/14/48/97/546144897.db2.gz UOEPNZZMWCECRK-ZFWWWQNUSA-N 2 1 318.490 3.342 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180337274 546144900 /nfs/dbraw/zinc/14/49/00/546144900.db2.gz UOEPNZZMWCECRK-ZFWWWQNUSA-N 2 1 318.490 3.342 20 0 DGADMP C[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)CC1CCCCC1 ZINC000185221997 546186668 /nfs/dbraw/zinc/18/66/68/546186668.db2.gz MZGGCYPXOSSMQN-SFHVURJKSA-N 2 1 309.542 3.210 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176540 546386136 /nfs/dbraw/zinc/38/61/36/546386136.db2.gz IHIWDEISSVGYRC-JKSUJKDBSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176540 546386140 /nfs/dbraw/zinc/38/61/40/546386140.db2.gz IHIWDEISSVGYRC-JKSUJKDBSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319672404 546465037 /nfs/dbraw/zinc/46/50/37/546465037.db2.gz HLTPDNDEVMXWPF-YHDCXSKOSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319672404 546465043 /nfs/dbraw/zinc/46/50/43/546465043.db2.gz HLTPDNDEVMXWPF-YHDCXSKOSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319672404 546465047 /nfs/dbraw/zinc/46/50/47/546465047.db2.gz HLTPDNDEVMXWPF-YHDCXSKOSA-N 2 1 322.537 3.370 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337380541 546519375 /nfs/dbraw/zinc/51/93/75/546519375.db2.gz IYWSYGGLQJZMSM-HZPDHXFCSA-N 2 1 322.493 3.263 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000339067130 546532034 /nfs/dbraw/zinc/53/20/34/546532034.db2.gz GIJCKMNKJKEOAA-JQHSSLGASA-N 2 1 310.445 3.150 20 0 DGADMP CCN(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339068116 546532068 /nfs/dbraw/zinc/53/20/68/546532068.db2.gz OBMMECUBCSQHJU-MJGOQNOKSA-N 2 1 301.478 3.119 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@@H+]1C ZINC000347201578 546583173 /nfs/dbraw/zinc/58/31/73/546583173.db2.gz LBWMFKHGHPVTIH-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000347201578 546583177 /nfs/dbraw/zinc/58/31/77/546583177.db2.gz LBWMFKHGHPVTIH-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@@H]3C3CC3)CCCC2)CC1 ZINC000348119235 546586543 /nfs/dbraw/zinc/58/65/43/546586543.db2.gz NSJDDFRJXLXIJL-MSOLQXFVSA-N 2 1 306.494 3.188 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239925 546698714 /nfs/dbraw/zinc/69/87/14/546698714.db2.gz UGRNTFBLUSBXSB-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000359706280 546711309 /nfs/dbraw/zinc/71/13/09/546711309.db2.gz QDMINKVFZBKWGB-KBXCAEBGSA-N 2 1 310.445 3.416 20 0 DGADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000359706280 546711316 /nfs/dbraw/zinc/71/13/16/546711316.db2.gz QDMINKVFZBKWGB-KBXCAEBGSA-N 2 1 310.445 3.416 20 0 DGADMP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)n1 ZINC000359706281 546711888 /nfs/dbraw/zinc/71/18/88/546711888.db2.gz QDMINKVFZBKWGB-KDOFPFPSSA-N 2 1 310.445 3.416 20 0 DGADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000359706281 546711889 /nfs/dbraw/zinc/71/18/89/546711889.db2.gz QDMINKVFZBKWGB-KDOFPFPSSA-N 2 1 310.445 3.416 20 0 DGADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379620070 546735709 /nfs/dbraw/zinc/73/57/09/546735709.db2.gz COHPZEFJZVZCIU-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379620070 546735712 /nfs/dbraw/zinc/73/57/12/546735712.db2.gz COHPZEFJZVZCIU-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379620070 546735715 /nfs/dbraw/zinc/73/57/15/546735715.db2.gz COHPZEFJZVZCIU-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c2ccccc12 ZINC000391759541 546759069 /nfs/dbraw/zinc/75/90/69/546759069.db2.gz WXSUYADZCHVYPD-JXFKEZNVSA-N 2 1 310.441 3.409 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccncn1 ZINC000395806497 546761675 /nfs/dbraw/zinc/76/16/75/546761675.db2.gz CMQROJJTJHOTBL-ZCDKGFTFSA-N 2 1 322.456 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccncn1 ZINC000395806497 546761679 /nfs/dbraw/zinc/76/16/79/546761679.db2.gz CMQROJJTJHOTBL-ZCDKGFTFSA-N 2 1 322.456 3.038 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000401770082 546765669 /nfs/dbraw/zinc/76/56/69/546765669.db2.gz CXRSVGDNRDYEDV-OAHLLOKOSA-N 2 1 320.234 3.002 20 0 DGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000414292920 546783691 /nfs/dbraw/zinc/78/36/91/546783691.db2.gz BFEYGKVLYCPMQN-CGTJXYLNSA-N 2 1 302.462 3.369 20 0 DGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000414292920 546783696 /nfs/dbraw/zinc/78/36/96/546783696.db2.gz BFEYGKVLYCPMQN-CGTJXYLNSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414931302 546791208 /nfs/dbraw/zinc/79/12/08/546791208.db2.gz ULPCRLMUGVFJMH-CABCVRRESA-N 2 1 301.459 3.478 20 0 DGADMP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)ccc1C[NH+](C)C ZINC000458273327 546885298 /nfs/dbraw/zinc/88/52/98/546885298.db2.gz WSCGNZXWYNQOBJ-MRXNPFEDSA-N 2 1 317.477 3.260 20 0 DGADMP c1ccc(Sc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479968999 546909603 /nfs/dbraw/zinc/90/96/03/546909603.db2.gz UGPJTGMJWSTPDU-CALCHBBNSA-N 2 1 310.466 3.489 20 0 DGADMP c1ccc(Sc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479968999 546909606 /nfs/dbraw/zinc/90/96/06/546909606.db2.gz UGPJTGMJWSTPDU-CALCHBBNSA-N 2 1 310.466 3.489 20 0 DGADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972308 546936113 /nfs/dbraw/zinc/93/61/13/546936113.db2.gz KPSRMWFAKKBSLJ-GOEBONIOSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972308 546936117 /nfs/dbraw/zinc/93/61/17/546936117.db2.gz KPSRMWFAKKBSLJ-GOEBONIOSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000494972308 546936120 /nfs/dbraw/zinc/93/61/20/546936120.db2.gz KPSRMWFAKKBSLJ-GOEBONIOSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000494972308 546936123 /nfs/dbraw/zinc/93/61/23/546936123.db2.gz KPSRMWFAKKBSLJ-GOEBONIOSA-N 2 1 317.502 3.469 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550797104 546996476 /nfs/dbraw/zinc/99/64/76/546996476.db2.gz LKUUJWGTUHGFSM-OKYOBFRVSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550797104 546996479 /nfs/dbraw/zinc/99/64/79/546996479.db2.gz LKUUJWGTUHGFSM-OKYOBFRVSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551176966 546996695 /nfs/dbraw/zinc/99/66/95/546996695.db2.gz NQGMJGPULWTMLX-NJDAHSKKSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551176966 546996701 /nfs/dbraw/zinc/99/67/01/546996701.db2.gz NQGMJGPULWTMLX-NJDAHSKKSA-N 2 1 324.468 3.015 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000667493918 547200905 /nfs/dbraw/zinc/20/09/05/547200905.db2.gz HEWBCOIYPPARJC-INIZCTEOSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000667493918 547200908 /nfs/dbraw/zinc/20/09/08/547200908.db2.gz HEWBCOIYPPARJC-INIZCTEOSA-N 2 1 320.477 3.016 20 0 DGADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCc2ccccc21 ZINC000667494172 547201844 /nfs/dbraw/zinc/20/18/44/547201844.db2.gz PGUYPWAGYFBWHY-IBGZPJMESA-N 2 1 304.397 3.387 20 0 DGADMP CC[NH+](CC)CCN(Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667559583 547225483 /nfs/dbraw/zinc/22/54/83/547225483.db2.gz BUPXVXDTMMGQEU-UHFFFAOYSA-N 2 1 314.477 3.073 20 0 DGADMP CCCO[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667618403 547243874 /nfs/dbraw/zinc/24/38/74/547243874.db2.gz XZSCNGIUFJGEBZ-GOSISDBHSA-N 2 1 314.433 3.048 20 0 DGADMP CCCO[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667618403 547243879 /nfs/dbraw/zinc/24/38/79/547243879.db2.gz XZSCNGIUFJGEBZ-GOSISDBHSA-N 2 1 314.433 3.048 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccncc4s3)CC[C@H]21 ZINC000667705731 547281710 /nfs/dbraw/zinc/28/17/10/547281710.db2.gz JTALMOJXFSHGPL-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccncc4s3)CC[C@H]21 ZINC000667705731 547281712 /nfs/dbraw/zinc/28/17/12/547281712.db2.gz JTALMOJXFSHGPL-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccncc4s3)CC[C@H]21 ZINC000667705731 547281716 /nfs/dbraw/zinc/28/17/16/547281716.db2.gz JTALMOJXFSHGPL-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667792047 547303409 /nfs/dbraw/zinc/30/34/09/547303409.db2.gz VXBKJBZFZUTVSU-WOJBJXKFSA-N 2 1 314.473 3.117 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000668063252 547372465 /nfs/dbraw/zinc/37/24/65/547372465.db2.gz IEKATDPVMHUUQW-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000668063252 547372470 /nfs/dbraw/zinc/37/24/70/547372470.db2.gz IEKATDPVMHUUQW-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000668490338 547468194 /nfs/dbraw/zinc/46/81/94/547468194.db2.gz VBFKTRJCHJBYMY-APWZRJJASA-N 2 1 304.478 3.025 20 0 DGADMP CN(CC1=CCCOC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000668568518 547482226 /nfs/dbraw/zinc/48/22/26/547482226.db2.gz IOUUNUNCFAEKPQ-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CC1=CCCOC1 ZINC000668568518 547482236 /nfs/dbraw/zinc/48/22/36/547482236.db2.gz IOUUNUNCFAEKPQ-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC1=CCCOC1 ZINC000668568518 547482241 /nfs/dbraw/zinc/48/22/41/547482241.db2.gz IOUUNUNCFAEKPQ-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP C[NH+](CC1=CCCOC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000668568518 547482244 /nfs/dbraw/zinc/48/22/44/547482244.db2.gz IOUUNUNCFAEKPQ-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP C[NH+](CC1=CCCOC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000668568518 547482250 /nfs/dbraw/zinc/48/22/50/547482250.db2.gz IOUUNUNCFAEKPQ-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000668586895 547486316 /nfs/dbraw/zinc/48/63/16/547486316.db2.gz HECQMBKXSNYCCA-SFHVURJKSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000668586895 547486320 /nfs/dbraw/zinc/48/63/20/547486320.db2.gz HECQMBKXSNYCCA-SFHVURJKSA-N 2 1 301.478 3.319 20 0 DGADMP CCC[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740324 547526100 /nfs/dbraw/zinc/52/61/00/547526100.db2.gz TZTMOXJBTUTAJZ-AZUAARDMSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784313 547540237 /nfs/dbraw/zinc/54/02/37/547540237.db2.gz BDYXVLUPGYKHJV-LPHOPBHVSA-N 2 1 322.468 3.189 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784314 547540294 /nfs/dbraw/zinc/54/02/94/547540294.db2.gz BDYXVLUPGYKHJV-QFBILLFUSA-N 2 1 322.468 3.189 20 0 DGADMP c1cc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2o1 ZINC000671708794 547813417 /nfs/dbraw/zinc/81/34/17/547813417.db2.gz BJVXLJLVDSTSPV-SFHVURJKSA-N 2 1 314.429 3.166 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739705 547822369 /nfs/dbraw/zinc/82/23/69/547822369.db2.gz ZIWNUFLANLRHKR-AWEZNQCLSA-N 2 1 317.433 3.306 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671744189 547823084 /nfs/dbraw/zinc/82/30/84/547823084.db2.gz SBWYQMAEVGLIKS-CYBMUJFWSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744202 547823270 /nfs/dbraw/zinc/82/32/70/547823270.db2.gz VXJLXSJNQNNTBF-LBPRGKRZSA-N 2 1 315.417 3.201 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000673626801 547975869 /nfs/dbraw/zinc/97/58/69/547975869.db2.gz DQJSSRMKZIQWFY-XJKSGUPXSA-N 2 1 324.415 3.259 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000673626795 547975932 /nfs/dbraw/zinc/97/59/32/547975932.db2.gz DQJSSRMKZIQWFY-BBRMVZONSA-N 2 1 324.415 3.259 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000673714669 547985367 /nfs/dbraw/zinc/98/53/67/547985367.db2.gz FWZGYWWUWBVDGD-MJGOQNOKSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000673714669 547985372 /nfs/dbraw/zinc/98/53/72/547985372.db2.gz FWZGYWWUWBVDGD-MJGOQNOKSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000673714669 547985377 /nfs/dbraw/zinc/98/53/77/547985377.db2.gz FWZGYWWUWBVDGD-MJGOQNOKSA-N 2 1 304.478 3.344 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000675779266 548270212 /nfs/dbraw/zinc/27/02/12/548270212.db2.gz SVRLAYHXKMLFDZ-HNNXBMFYSA-N 2 1 304.453 3.468 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2OC)[C@@H](C)C1 ZINC000675787806 548271200 /nfs/dbraw/zinc/27/12/00/548271200.db2.gz BUKRJDVMRRSWIE-DOTOQJQBSA-N 2 1 304.478 3.293 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000675881119 548283168 /nfs/dbraw/zinc/28/31/68/548283168.db2.gz JOGXVKJZWRJNEB-MAUKXSAKSA-N 2 1 320.452 3.428 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000675881495 548283302 /nfs/dbraw/zinc/28/33/02/548283302.db2.gz MIAKMFOQQFYVJM-ICSRJNTNSA-N 2 1 314.473 3.215 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882599 548284142 /nfs/dbraw/zinc/28/41/42/548284142.db2.gz SJRPFRFLPJAGCT-YLJYHZDGSA-N 2 1 314.473 3.215 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000675897720 548286760 /nfs/dbraw/zinc/28/67/60/548286760.db2.gz VCRNBPQGZCYMIG-PKOBYXMFSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000675897720 548286765 /nfs/dbraw/zinc/28/67/65/548286765.db2.gz VCRNBPQGZCYMIG-PKOBYXMFSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000675897720 548286769 /nfs/dbraw/zinc/28/67/69/548286769.db2.gz VCRNBPQGZCYMIG-PKOBYXMFSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000678073352 548607566 /nfs/dbraw/zinc/60/75/66/548607566.db2.gz RSFMHAFFWQBLBS-OALUTQOASA-N 2 1 324.472 3.040 20 0 DGADMP CC[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000678260556 548659399 /nfs/dbraw/zinc/65/93/99/548659399.db2.gz CJGFWUFPTRVSEP-SFHVURJKSA-N 2 1 317.521 3.171 20 0 DGADMP CC[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000678260556 548659402 /nfs/dbraw/zinc/65/94/02/548659402.db2.gz CJGFWUFPTRVSEP-SFHVURJKSA-N 2 1 317.521 3.171 20 0 DGADMP CC[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000678260556 548659404 /nfs/dbraw/zinc/65/94/04/548659404.db2.gz CJGFWUFPTRVSEP-SFHVURJKSA-N 2 1 317.521 3.171 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678277446 548666532 /nfs/dbraw/zinc/66/65/32/548666532.db2.gz VOVJDIDTEMXJOK-DLBZAZTESA-N 2 1 302.462 3.392 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000678285422 548671049 /nfs/dbraw/zinc/67/10/49/548671049.db2.gz BFXKFPOEMIMNLY-ROUUACIJSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000678285422 548671052 /nfs/dbraw/zinc/67/10/52/548671052.db2.gz BFXKFPOEMIMNLY-ROUUACIJSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000678285422 548671054 /nfs/dbraw/zinc/67/10/54/548671054.db2.gz BFXKFPOEMIMNLY-ROUUACIJSA-N 2 1 314.473 3.216 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285541 548672570 /nfs/dbraw/zinc/67/25/70/548672570.db2.gz MCHZSTFGIZSHKE-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285541 548672572 /nfs/dbraw/zinc/67/25/72/548672572.db2.gz MCHZSTFGIZSHKE-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678285541 548672575 /nfs/dbraw/zinc/67/25/75/548672575.db2.gz MCHZSTFGIZSHKE-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678285541 548672578 /nfs/dbraw/zinc/67/25/78/548672578.db2.gz MCHZSTFGIZSHKE-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP CC[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678337172 548681124 /nfs/dbraw/zinc/68/11/24/548681124.db2.gz CVQARPXIQLLRIL-KRWDZBQOSA-N 2 1 302.462 3.393 20 0 DGADMP Cc1ccc(COc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000678343628 548684598 /nfs/dbraw/zinc/68/45/98/548684598.db2.gz XFAONLPVIKNVGH-WOJBJXKFSA-N 2 1 322.452 3.225 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000678596496 548735389 /nfs/dbraw/zinc/73/53/89/548735389.db2.gz ACJOTQDZVTVOEE-GRDNDAEWSA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000678596496 548735393 /nfs/dbraw/zinc/73/53/93/548735393.db2.gz ACJOTQDZVTVOEE-GRDNDAEWSA-N 2 1 308.853 3.244 20 0 DGADMP c1csc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000678685640 548751189 /nfs/dbraw/zinc/75/11/89/548751189.db2.gz KBMXWPRTXGWMMW-AEFFLSMTSA-N 2 1 320.502 3.432 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000678771857 548760045 /nfs/dbraw/zinc/76/00/45/548760045.db2.gz QTVTVQOQJQINNR-POAQFYNOSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000678771856 548760319 /nfs/dbraw/zinc/76/03/19/548760319.db2.gz QTVTVQOQJQINNR-KPFFTGBYSA-N 2 1 316.489 3.137 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000678773264 548761240 /nfs/dbraw/zinc/76/12/40/548761240.db2.gz HYQYDUBJGPTZDP-RTBURBONSA-N 2 1 302.462 3.371 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679136041 548836290 /nfs/dbraw/zinc/83/62/90/548836290.db2.gz HYVGEFRNZMLMKC-DLBZAZTESA-N 2 1 319.493 3.302 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336324 548880571 /nfs/dbraw/zinc/88/05/71/548880571.db2.gz LLECVRPFEJCAJG-MJGOQNOKSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000679338112 548881954 /nfs/dbraw/zinc/88/19/54/548881954.db2.gz FENQGFQYBFHQCB-HZPDHXFCSA-N 2 1 310.507 3.101 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000679338112 548881957 /nfs/dbraw/zinc/88/19/57/548881957.db2.gz FENQGFQYBFHQCB-HZPDHXFCSA-N 2 1 310.507 3.101 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1F ZINC000679361677 548886276 /nfs/dbraw/zinc/88/62/76/548886276.db2.gz UOJUJLJJCHQMLM-LPHOPBHVSA-N 2 1 320.452 3.341 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1F ZINC000679361677 548886277 /nfs/dbraw/zinc/88/62/77/548886277.db2.gz UOJUJLJJCHQMLM-LPHOPBHVSA-N 2 1 320.452 3.341 20 0 DGADMP OC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000679393664 548892245 /nfs/dbraw/zinc/89/22/45/548892245.db2.gz CVBCPKKSFNQIBN-LDLYASANSA-N 2 1 314.473 3.077 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395968 548893238 /nfs/dbraw/zinc/89/32/38/548893238.db2.gz KSKSDQXIJVKJJS-FUHWJXTLSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395968 548893241 /nfs/dbraw/zinc/89/32/41/548893241.db2.gz KSKSDQXIJVKJJS-FUHWJXTLSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679395968 548893245 /nfs/dbraw/zinc/89/32/45/548893245.db2.gz KSKSDQXIJVKJJS-FUHWJXTLSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000679395968 548893249 /nfs/dbraw/zinc/89/32/49/548893249.db2.gz KSKSDQXIJVKJJS-FUHWJXTLSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721496 548944038 /nfs/dbraw/zinc/94/40/38/548944038.db2.gz PCTYTUNHYISUDG-CABCVRRESA-N 2 1 312.461 3.306 20 0 DGADMP C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721496 548944041 /nfs/dbraw/zinc/94/40/41/548944041.db2.gz PCTYTUNHYISUDG-CABCVRRESA-N 2 1 312.461 3.306 20 0 DGADMP C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680478789 549057872 /nfs/dbraw/zinc/05/78/72/549057872.db2.gz RJEUDFIBCMUFLW-INIZCTEOSA-N 2 1 313.445 3.215 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000681391476 549201736 /nfs/dbraw/zinc/20/17/36/549201736.db2.gz IBKUZUZEYHJMPO-DSLXNQLJSA-N 2 1 316.489 3.300 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000681751186 549250154 /nfs/dbraw/zinc/25/01/54/549250154.db2.gz NZJWLKGIRSKEJG-XEVCZEQESA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000681751183 549250340 /nfs/dbraw/zinc/25/03/40/549250340.db2.gz NZJWLKGIRSKEJG-HDYDNRTBSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[C@H](CC)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682154517 549298068 /nfs/dbraw/zinc/29/80/68/549298068.db2.gz HHSWAELCYBYUKA-OALUTQOASA-N 2 1 309.542 3.305 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)[NH+]1CCCCCC1 ZINC000682381037 549313076 /nfs/dbraw/zinc/31/30/76/549313076.db2.gz RXZMSPHJJMLKNR-WZYMTQMTSA-N 2 1 318.465 3.347 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+]1CCCCCC1 ZINC000682381037 549313079 /nfs/dbraw/zinc/31/30/79/549313079.db2.gz RXZMSPHJJMLKNR-WZYMTQMTSA-N 2 1 318.465 3.347 20 0 DGADMP CCn1ccc(C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000682999659 549411764 /nfs/dbraw/zinc/41/17/64/549411764.db2.gz NBCGKSPTMNMBDR-UHFFFAOYSA-N 2 1 309.417 3.029 20 0 DGADMP CCn1ccc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000682999659 549411766 /nfs/dbraw/zinc/41/17/66/549411766.db2.gz NBCGKSPTMNMBDR-UHFFFAOYSA-N 2 1 309.417 3.029 20 0 DGADMP CCCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000683343925 549471256 /nfs/dbraw/zinc/47/12/56/549471256.db2.gz CCJTUQUOHNPMLQ-KRWDZBQOSA-N 2 1 304.478 3.230 20 0 DGADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000685420820 549757219 /nfs/dbraw/zinc/75/72/19/549757219.db2.gz MIELZHNERDIWPE-QDPHKQGLSA-N 2 1 310.363 3.260 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)CC1 ZINC000685462857 549765148 /nfs/dbraw/zinc/76/51/48/549765148.db2.gz UUMBOAUKSWRXRB-ZWKOTPCHSA-N 2 1 314.473 3.216 20 0 DGADMP CC[N@@H+]1CCC[C@H]1CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674881 574555127 /nfs/dbraw/zinc/55/51/27/574555127.db2.gz GUMMZLLEGJCWGA-KRWDZBQOSA-N 2 1 302.462 3.364 20 0 DGADMP CC[N@H+]1CCC[C@H]1CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674881 574555129 /nfs/dbraw/zinc/55/51/29/574555129.db2.gz GUMMZLLEGJCWGA-KRWDZBQOSA-N 2 1 302.462 3.364 20 0 DGADMP C[C@H]1CCC[N@H+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733186620 574605198 /nfs/dbraw/zinc/60/51/98/574605198.db2.gz BIMMUNYZVISKJX-INIZCTEOSA-N 2 1 317.481 3.001 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733186620 574605199 /nfs/dbraw/zinc/60/51/99/574605199.db2.gz BIMMUNYZVISKJX-INIZCTEOSA-N 2 1 317.481 3.001 20 0 DGADMP Cc1ccccc1OCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728686927 576195080 /nfs/dbraw/zinc/19/50/80/576195080.db2.gz XTERZDOQOUFTKG-UHFFFAOYSA-N 2 1 304.478 3.426 20 0 DGADMP CCCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC000746659351 575467792 /nfs/dbraw/zinc/46/77/92/575467792.db2.gz NXOIWRVLMIANEF-HKUYNNGSSA-N 2 1 304.478 3.306 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC000746659351 575467794 /nfs/dbraw/zinc/46/77/94/575467794.db2.gz NXOIWRVLMIANEF-HKUYNNGSSA-N 2 1 304.478 3.306 20 0 DGADMP O[C@@H](C[N@H+](Cc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000747683116 575532772 /nfs/dbraw/zinc/53/27/72/575532772.db2.gz RNLHVWBNESLMMV-LJQANCHMSA-N 2 1 320.452 3.027 20 0 DGADMP O[C@@H](C[N@@H+](Cc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000747683116 575532774 /nfs/dbraw/zinc/53/27/74/575532774.db2.gz RNLHVWBNESLMMV-LJQANCHMSA-N 2 1 320.452 3.027 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398218174 575961669 /nfs/dbraw/zinc/96/16/69/575961669.db2.gz VKRIWAQUDOOLSW-GSEOLPGOSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398218174 575961670 /nfs/dbraw/zinc/96/16/70/575961670.db2.gz VKRIWAQUDOOLSW-GSEOLPGOSA-N 2 1 316.489 3.444 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000852746829 620645894 /nfs/dbraw/zinc/64/58/94/620645894.db2.gz RCLCFAJLCDSZBE-UHFFFAOYSA-N 2 1 312.429 3.132 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000154404498 620669937 /nfs/dbraw/zinc/66/99/37/620669937.db2.gz RBTAYAPUTQGHPE-KRWDZBQOSA-N 2 1 308.491 3.168 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000853247124 620681862 /nfs/dbraw/zinc/68/18/62/620681862.db2.gz DBGRAXHDIFNHOV-MRXNPFEDSA-N 2 1 320.868 3.297 20 0 DGADMP COc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000892144715 617975590 /nfs/dbraw/zinc/97/55/90/617975590.db2.gz PFZISGRWPMUBRJ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000892144715 617975591 /nfs/dbraw/zinc/97/55/91/617975591.db2.gz PFZISGRWPMUBRJ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000892144715 617975595 /nfs/dbraw/zinc/97/55/95/617975595.db2.gz PFZISGRWPMUBRJ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000892144715 617975596 /nfs/dbraw/zinc/97/55/96/617975596.db2.gz PFZISGRWPMUBRJ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000892144715 617975599 /nfs/dbraw/zinc/97/55/99/617975599.db2.gz PFZISGRWPMUBRJ-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806127426 617657813 /nfs/dbraw/zinc/65/78/13/617657813.db2.gz DZMLFOAHWLYXQM-OAHLLOKOSA-N 2 1 307.869 3.434 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000891744959 617888160 /nfs/dbraw/zinc/88/81/60/617888160.db2.gz BXYWIIMBOOQGGX-GJZGRUSLSA-N 2 1 317.315 3.212 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N3CCC(C[N@H+](C)C(C)C)CC3)c12 ZINC000891913172 617925532 /nfs/dbraw/zinc/92/55/32/617925532.db2.gz RJUQLWJSFYUYHU-UHFFFAOYSA-N 2 1 315.465 3.077 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N3CCC(C[N@@H+](C)C(C)C)CC3)c12 ZINC000891913172 617925535 /nfs/dbraw/zinc/92/55/35/617925535.db2.gz RJUQLWJSFYUYHU-UHFFFAOYSA-N 2 1 315.465 3.077 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327573 617940217 /nfs/dbraw/zinc/94/02/17/617940217.db2.gz XUKDQJVVFDOEKJ-ZBFHGGJFSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327573 617940220 /nfs/dbraw/zinc/94/02/20/617940220.db2.gz XUKDQJVVFDOEKJ-ZBFHGGJFSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@]1(Br)C[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892086997 617958991 /nfs/dbraw/zinc/95/89/91/617958991.db2.gz YQRMRPKDNHXCDO-ILXRZTDVSA-N 2 1 315.299 3.110 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892119559 617966459 /nfs/dbraw/zinc/96/64/59/617966459.db2.gz FBCVWSWPKUWTBY-QGZVFWFLSA-N 2 1 302.462 3.175 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892119559 617966463 /nfs/dbraw/zinc/96/64/63/617966463.db2.gz FBCVWSWPKUWTBY-QGZVFWFLSA-N 2 1 302.462 3.175 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146829 617975061 /nfs/dbraw/zinc/97/50/61/617975061.db2.gz YXDOVMOPYKXNPO-SFHVURJKSA-N 2 1 314.473 3.175 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146829 617975064 /nfs/dbraw/zinc/97/50/64/617975064.db2.gz YXDOVMOPYKXNPO-SFHVURJKSA-N 2 1 314.473 3.175 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146829 617975068 /nfs/dbraw/zinc/97/50/68/617975068.db2.gz YXDOVMOPYKXNPO-SFHVURJKSA-N 2 1 314.473 3.175 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146829 617975069 /nfs/dbraw/zinc/97/50/69/617975069.db2.gz YXDOVMOPYKXNPO-SFHVURJKSA-N 2 1 314.473 3.175 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000925472432 620766714 /nfs/dbraw/zinc/76/67/14/620766714.db2.gz HGDWVHGBDDTINC-NWDGAFQWSA-N 2 1 305.447 3.399 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000923779522 618086484 /nfs/dbraw/zinc/08/64/84/618086484.db2.gz AVQCIDFJJUAATD-INIZCTEOSA-N 2 1 314.433 3.344 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000892585975 618113180 /nfs/dbraw/zinc/11/31/80/618113180.db2.gz ZJTGKZOKQODJSV-QLFBSQMISA-N 2 1 317.315 3.404 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c(F)c1 ZINC000892586967 618113637 /nfs/dbraw/zinc/11/36/37/618113637.db2.gz OZONJZDFKICXRQ-CFSGWGOTSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c(F)c1 ZINC000892586967 618113639 /nfs/dbraw/zinc/11/36/39/618113639.db2.gz OZONJZDFKICXRQ-CFSGWGOTSA-N 2 1 306.400 3.427 20 0 DGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924580838 618123317 /nfs/dbraw/zinc/12/33/17/618123317.db2.gz XOANPUGXSXWLGQ-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OCC)o1 ZINC000894479314 618350511 /nfs/dbraw/zinc/35/05/11/618350511.db2.gz NKUSWCDMMUVPBK-UHFFFAOYSA-N 2 1 305.422 3.349 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OCC)o1 ZINC000894479314 618350519 /nfs/dbraw/zinc/35/05/19/618350519.db2.gz NKUSWCDMMUVPBK-UHFFFAOYSA-N 2 1 305.422 3.349 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2c1OCC2 ZINC000894479050 618350593 /nfs/dbraw/zinc/35/05/93/618350593.db2.gz JBAXJYJJBOYFHH-UHFFFAOYSA-N 2 1 313.445 3.293 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2c1OCC2 ZINC000894479050 618350600 /nfs/dbraw/zinc/35/06/00/618350600.db2.gz JBAXJYJJBOYFHH-UHFFFAOYSA-N 2 1 313.445 3.293 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000892938888 618358298 /nfs/dbraw/zinc/35/82/98/618358298.db2.gz RWEPOQBJGKNKCE-UHFFFAOYSA-N 2 1 302.393 3.273 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)[C@H]1c1cccs1 ZINC000893019027 618393608 /nfs/dbraw/zinc/39/36/08/618393608.db2.gz IRKNWKJJNAIRFH-JOKDJRIQSA-N 2 1 322.518 3.414 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)[C@H]1c1cccs1 ZINC000893019027 618393615 /nfs/dbraw/zinc/39/36/15/618393615.db2.gz IRKNWKJJNAIRFH-JOKDJRIQSA-N 2 1 322.518 3.414 20 0 DGADMP CC(C)Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000894624224 618404666 /nfs/dbraw/zinc/40/46/66/618404666.db2.gz UQOOHHNMCZRMSX-IBGZPJMESA-N 2 1 301.478 3.198 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2cccn2)c1 ZINC000893085080 618419211 /nfs/dbraw/zinc/41/92/11/618419211.db2.gz FHOKGRYDTPFRKT-CCNLRDMRSA-N 2 1 310.445 3.148 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4c3NCCC4)C2)CC1 ZINC000894779644 618454432 /nfs/dbraw/zinc/45/44/32/618454432.db2.gz KYEPZOBDNLLJOQ-SFHVURJKSA-N 2 1 313.489 3.208 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1csc(C(F)(F)F)n1)C1CC1 ZINC000894807104 618463312 /nfs/dbraw/zinc/46/33/12/618463312.db2.gz QOONVPJSUWFDMH-UHFFFAOYSA-N 2 1 307.385 3.126 20 0 DGADMP CC(C)CCN1CCC([NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000925593734 618503064 /nfs/dbraw/zinc/50/30/64/618503064.db2.gz IHASYPYWKJAZEG-UHFFFAOYSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)(CO)[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925608374 618507742 /nfs/dbraw/zinc/50/77/42/618507742.db2.gz WWZAVPAMBRMKJW-QZTJIDSGSA-N 2 1 316.489 3.053 20 0 DGADMP C[C@H](CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000895291056 618588932 /nfs/dbraw/zinc/58/89/32/618588932.db2.gz ZDVINJPWVFQAFC-KPFFTGBYSA-N 2 1 315.505 3.284 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc(Cl)c1OC ZINC000895298939 618589854 /nfs/dbraw/zinc/58/98/54/618589854.db2.gz CFBVHBPSYUMXNI-GFCCVEGCSA-N 2 1 314.857 3.177 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC000925751942 618594826 /nfs/dbraw/zinc/59/48/26/618594826.db2.gz RVMDGEBESVAMTL-MELADBBJSA-N 2 1 305.491 3.319 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CC[C@H](c3ccccc3)C1)C2 ZINC000925752239 618595232 /nfs/dbraw/zinc/59/52/32/618595232.db2.gz UBLVLZIEPNGGGP-GJZGRUSLSA-N 2 1 313.470 3.296 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CC[C@H](c3ccccc3)C1)C2 ZINC000925752239 618595234 /nfs/dbraw/zinc/59/52/34/618595234.db2.gz UBLVLZIEPNGGGP-GJZGRUSLSA-N 2 1 313.470 3.296 20 0 DGADMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925834355 618641273 /nfs/dbraw/zinc/64/12/73/618641273.db2.gz VZMUNMZOZRPAOZ-MELADBBJSA-N 2 1 305.491 3.032 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000925834677 618641729 /nfs/dbraw/zinc/64/17/29/618641729.db2.gz YHBLTORDHBIFLP-LLVKDONJSA-N 2 1 316.474 3.035 20 0 DGADMP COC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1 ZINC000925841617 618643169 /nfs/dbraw/zinc/64/31/69/618643169.db2.gz RPJDJIOPWNHSDZ-BRWVUGGUSA-N 2 1 308.853 3.149 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893860877 618667751 /nfs/dbraw/zinc/66/77/51/618667751.db2.gz XZGXSIVVLYGXNR-RDTXWAMCSA-N 2 1 322.880 3.444 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000893860877 618667755 /nfs/dbraw/zinc/66/77/55/618667755.db2.gz XZGXSIVVLYGXNR-RDTXWAMCSA-N 2 1 322.880 3.444 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000893939207 618679347 /nfs/dbraw/zinc/67/93/47/618679347.db2.gz AJXUFDNCYLKCQP-UHFFFAOYSA-N 2 1 306.498 3.477 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000893939207 618679350 /nfs/dbraw/zinc/67/93/50/618679350.db2.gz AJXUFDNCYLKCQP-UHFFFAOYSA-N 2 1 306.498 3.477 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050814 618700161 /nfs/dbraw/zinc/70/01/61/618700161.db2.gz UPASIDSCSBDJHE-DOTOQJQBSA-N 2 1 320.477 3.174 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050814 618700162 /nfs/dbraw/zinc/70/01/62/618700162.db2.gz UPASIDSCSBDJHE-DOTOQJQBSA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050814 618700163 /nfs/dbraw/zinc/70/01/63/618700163.db2.gz UPASIDSCSBDJHE-DOTOQJQBSA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)[C@@H](C)C1 ZINC000894050814 618700165 /nfs/dbraw/zinc/70/01/65/618700165.db2.gz UPASIDSCSBDJHE-DOTOQJQBSA-N 2 1 320.477 3.174 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937700 618744674 /nfs/dbraw/zinc/74/46/74/618744674.db2.gz FRDCQZUFRMJEBN-RDJZCZTQSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937700 618744676 /nfs/dbraw/zinc/74/46/76/618744676.db2.gz FRDCQZUFRMJEBN-RDJZCZTQSA-N 2 1 315.486 3.358 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000924966036 618752420 /nfs/dbraw/zinc/75/24/20/618752420.db2.gz CHVHJRXNHHOKMS-SFHVURJKSA-N 2 1 302.462 3.480 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1coc2ccccc12 ZINC000924966521 618752566 /nfs/dbraw/zinc/75/25/66/618752566.db2.gz OSIFJONPOYTLSC-MRXNPFEDSA-N 2 1 315.461 3.111 20 0 DGADMP Cc1noc2ncc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc12 ZINC000894324768 618764576 /nfs/dbraw/zinc/76/45/76/618764576.db2.gz BQFDQKMMQRBAFM-UHFFFAOYSA-N 2 1 314.433 3.028 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000925021986 618767001 /nfs/dbraw/zinc/76/70/01/618767001.db2.gz DJRSEURHRLOOEB-RTBURBONSA-N 2 1 308.510 3.172 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CCN1c1cc[nH+]cc1 ZINC000895555841 618798308 /nfs/dbraw/zinc/79/83/08/618798308.db2.gz CHXRJQBIJFWATP-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc2c(n1)CCC2 ZINC000895682452 618818077 /nfs/dbraw/zinc/81/80/77/618818077.db2.gz DJEZVYJEZHDTEE-UHFFFAOYSA-N 2 1 301.478 3.268 20 0 DGADMP Cn1cnc2cc(C[N@@H+](C)CCCC[NH+]3CCCCC3)ccc21 ZINC000895682451 618818167 /nfs/dbraw/zinc/81/81/67/618818167.db2.gz DIJQKIKWRXUWNC-UHFFFAOYSA-N 2 1 314.477 3.271 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2nccn21 ZINC000895683196 618818492 /nfs/dbraw/zinc/81/84/92/618818492.db2.gz IQYQQXLCZKFLLL-UHFFFAOYSA-N 2 1 300.450 3.032 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000909596689 619043827 /nfs/dbraw/zinc/04/38/27/619043827.db2.gz RSDQOAFTGNYAAS-AEFFLSMTSA-N 2 1 315.461 3.012 20 0 DGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000897909940 619194852 /nfs/dbraw/zinc/19/48/52/619194852.db2.gz SGBVWFADOPTRPS-SJORKVTESA-N 2 1 315.461 3.047 20 0 DGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000897909940 619194853 /nfs/dbraw/zinc/19/48/53/619194853.db2.gz SGBVWFADOPTRPS-SJORKVTESA-N 2 1 315.461 3.047 20 0 DGADMP C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181847 619223742 /nfs/dbraw/zinc/22/37/42/619223742.db2.gz PFPKBPBLEULUNS-PBHICJAKSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181847 619223743 /nfs/dbraw/zinc/22/37/43/619223743.db2.gz PFPKBPBLEULUNS-PBHICJAKSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181847 619223745 /nfs/dbraw/zinc/22/37/45/619223745.db2.gz PFPKBPBLEULUNS-PBHICJAKSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181847 619223748 /nfs/dbraw/zinc/22/37/48/619223748.db2.gz PFPKBPBLEULUNS-PBHICJAKSA-N 2 1 304.482 3.207 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)C[NH+](C)C ZINC000926957353 619252377 /nfs/dbraw/zinc/25/23/77/619252377.db2.gz AFAOAWBJVZWCDE-DOTOQJQBSA-N 2 1 317.477 3.045 20 0 DGADMP COCC[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519991 619283416 /nfs/dbraw/zinc/28/34/16/619283416.db2.gz RSAPVKHWNFHNDX-LMCOJAPRSA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518060 619283554 /nfs/dbraw/zinc/28/35/54/619283554.db2.gz XJGLMUUUIVAYBR-GRLGQGAKSA-N 2 1 316.489 3.300 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c[nH]1 ZINC000898523122 619283975 /nfs/dbraw/zinc/28/39/75/619283975.db2.gz ZQGNCZMGGYALBD-AABGKKOBSA-N 2 1 309.457 3.405 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519993 619284028 /nfs/dbraw/zinc/28/40/28/619284028.db2.gz RSAPVKHWNFHNDX-RNQOJCNYSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755927 619337083 /nfs/dbraw/zinc/33/70/83/619337083.db2.gz XRLWXPATJMLZMA-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755927 619337085 /nfs/dbraw/zinc/33/70/85/619337085.db2.gz XRLWXPATJMLZMA-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CNc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000902181904 619597286 /nfs/dbraw/zinc/59/72/86/619597286.db2.gz GIALMQQOSOGSNI-LJQANCHMSA-N 2 1 323.484 3.383 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)o1 ZINC000902389444 619630233 /nfs/dbraw/zinc/63/02/33/619630233.db2.gz XVISVMBKTHGQGF-INIZCTEOSA-N 2 1 323.387 3.475 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000902394727 619630861 /nfs/dbraw/zinc/63/08/61/619630861.db2.gz BLSDCGVKNNJBMC-CQSZACIVSA-N 2 1 306.425 3.235 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1F ZINC000902472264 619638099 /nfs/dbraw/zinc/63/80/99/619638099.db2.gz ZTRBQPCPMCUWOM-GCDKYVQMSA-N 2 1 318.436 3.343 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902484231 619646060 /nfs/dbraw/zinc/64/60/60/619646060.db2.gz VAGMFJCOVYCMQY-GJZGRUSLSA-N 2 1 300.450 3.006 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCC(C)CC1 ZINC000902744683 619669298 /nfs/dbraw/zinc/66/92/98/619669298.db2.gz FHNRQOBFUIBWLD-AXGBLAMUSA-N 2 1 320.521 3.146 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902747978 619669743 /nfs/dbraw/zinc/66/97/43/619669743.db2.gz JQBGVGFDYAJUED-GFAIHXBESA-N 2 1 306.494 3.044 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902754731 619670852 /nfs/dbraw/zinc/67/08/52/619670852.db2.gz HEQGEQCBZSKZGU-LLVKDONJSA-N 2 1 312.339 3.346 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(=O)OC)cc2C)C1 ZINC000902761674 619671822 /nfs/dbraw/zinc/67/18/22/619671822.db2.gz WUAGBKFCPZZFPI-JKSUJKDBSA-N 2 1 318.461 3.164 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903017634 619702203 /nfs/dbraw/zinc/70/22/03/619702203.db2.gz QKYXQADPDAANFD-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP CCO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000903037515 619705313 /nfs/dbraw/zinc/70/53/13/619705313.db2.gz MBMLAOLUEGRVQO-ZRNYENFQSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903058347 619707575 /nfs/dbraw/zinc/70/75/75/619707575.db2.gz PJNDINHXBCZPPC-ZNXRZULTSA-N 2 1 300.446 3.121 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC000903090906 619714488 /nfs/dbraw/zinc/71/44/88/619714488.db2.gz IYWROVRKGCYTNH-GOSISDBHSA-N 2 1 302.462 3.330 20 0 DGADMP CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074509 619715866 /nfs/dbraw/zinc/71/58/66/619715866.db2.gz NJXAYCNWTVPCAD-ONQFOCNCSA-N 2 1 316.493 3.045 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903125726 619722265 /nfs/dbraw/zinc/72/22/65/619722265.db2.gz OFUDTERZZAAIBD-QFBILLFUSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903125726 619722267 /nfs/dbraw/zinc/72/22/67/619722267.db2.gz OFUDTERZZAAIBD-QFBILLFUSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903142025 619724988 /nfs/dbraw/zinc/72/49/88/619724988.db2.gz XBKAGPRVXSOLEJ-XEHBXRSQSA-N 2 1 306.494 3.328 20 0 DGADMP CCc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903164570 619728446 /nfs/dbraw/zinc/72/84/46/619728446.db2.gz ITLKXJFETHSXHK-QZNYNHHHSA-N 2 1 314.473 3.030 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903176908 619730592 /nfs/dbraw/zinc/73/05/92/619730592.db2.gz GAQDXVYGBSYKKU-WOCFUTGOSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(CC2CCC2)c1 ZINC000903184044 619731955 /nfs/dbraw/zinc/73/19/55/619731955.db2.gz SGMWCPBIJDXYDF-HNNXBMFYSA-N 2 1 304.482 3.208 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3ncccc3c2)[C@H]2CCC[C@H]21 ZINC000903191849 619733337 /nfs/dbraw/zinc/73/33/37/619733337.db2.gz BWVBCAGVFYBJHF-YZGWKJHDSA-N 2 1 309.457 3.240 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC2(CCCC2)O1 ZINC000903195837 619733914 /nfs/dbraw/zinc/73/39/14/619733914.db2.gz BCMICNGKQLSURN-ONQFOCNCSA-N 2 1 304.478 3.226 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903187271 619736939 /nfs/dbraw/zinc/73/69/39/619736939.db2.gz ZMTVVEWSQXGCIZ-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903205016 619738010 /nfs/dbraw/zinc/73/80/10/619738010.db2.gz ANJVCDVNZZABAU-VHRNVKJDSA-N 2 1 304.409 3.082 20 0 DGADMP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903205016 619738011 /nfs/dbraw/zinc/73/80/11/619738011.db2.gz ANJVCDVNZZABAU-VHRNVKJDSA-N 2 1 304.409 3.082 20 0 DGADMP FC(F)(F)CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903214752 619739850 /nfs/dbraw/zinc/73/98/50/619739850.db2.gz XDOCBTJBXSBFOD-QXMXGUDHSA-N 2 1 322.440 3.419 20 0 DGADMP CC1(C)CC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)OC1 ZINC000903247829 619748303 /nfs/dbraw/zinc/74/83/03/619748303.db2.gz XTXCOZTXDCXDGC-NXCDMZCRSA-N 2 1 306.494 3.329 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000903460401 619776752 /nfs/dbraw/zinc/77/67/52/619776752.db2.gz ALTFGDFJYCGFAU-NZSAHSFTSA-N 2 1 313.445 3.029 20 0 DGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CC[C@H]([NH3+])C4)C3)nc2c1 ZINC000903455107 619779247 /nfs/dbraw/zinc/77/92/47/619779247.db2.gz QCORJMFPZLMRFW-OAGGEKHMSA-N 2 1 312.461 3.178 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H]4CC[C@H]([NH3+])C4)C3)[nH]c2c1 ZINC000903455107 619779249 /nfs/dbraw/zinc/77/92/49/619779249.db2.gz QCORJMFPZLMRFW-OAGGEKHMSA-N 2 1 312.461 3.178 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CC[C@H]([NH3+])C4)C3)[nH]c2c1 ZINC000903455107 619779251 /nfs/dbraw/zinc/77/92/51/619779251.db2.gz QCORJMFPZLMRFW-OAGGEKHMSA-N 2 1 312.461 3.178 20 0 DGADMP COC[C@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCc2ccccc21 ZINC000903474747 619780041 /nfs/dbraw/zinc/78/00/41/619780041.db2.gz SDZFZRUSNPEPKI-JHDROBOHSA-N 2 1 302.462 3.138 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)[C@@H]1c1ccccc1 ZINC000903476405 619780437 /nfs/dbraw/zinc/78/04/37/619780437.db2.gz WABWDRVODAGBML-TWMKSMIVSA-N 2 1 306.400 3.109 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)[C@@H]1c1ccccc1 ZINC000903476404 619780510 /nfs/dbraw/zinc/78/05/10/619780510.db2.gz WABWDRVODAGBML-QZWWFDLISA-N 2 1 306.400 3.109 20 0 DGADMP CCSc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000903479733 619780698 /nfs/dbraw/zinc/78/06/98/619780698.db2.gz XMOIDQKGSDGMLD-OLZOCXBDSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000903479733 619780699 /nfs/dbraw/zinc/78/06/99/619780699.db2.gz XMOIDQKGSDGMLD-OLZOCXBDSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1ccccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000903479735 619780864 /nfs/dbraw/zinc/78/08/64/619780864.db2.gz XMOIDQKGSDGMLD-STQMWFEESA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1ccccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000903479735 619780867 /nfs/dbraw/zinc/78/08/67/619780867.db2.gz XMOIDQKGSDGMLD-STQMWFEESA-N 2 1 318.408 3.368 20 0 DGADMP c1ccc([C@]23C[C@H]2C[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC000903491150 619782434 /nfs/dbraw/zinc/78/24/34/619782434.db2.gz XPMAPKAFMQJFOB-LEWJYISDSA-N 2 1 304.437 3.106 20 0 DGADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCc2ccccc21 ZINC000903719150 619803056 /nfs/dbraw/zinc/80/30/56/619803056.db2.gz WDCAABVMJUTKLK-PKOBYXMFSA-N 2 1 314.473 3.155 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722656 619803724 /nfs/dbraw/zinc/80/37/24/619803724.db2.gz CRFDIUJCCWPPKD-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722488 619803830 /nfs/dbraw/zinc/80/38/30/619803830.db2.gz BJZXTTCBXKHMOQ-KBRIMQKVSA-N 2 1 308.853 3.101 20 0 DGADMP C[N@H+](Cc1csc2ccccc12)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723208 619804074 /nfs/dbraw/zinc/80/40/74/619804074.db2.gz FSKTWCQXGFLIGA-MAUKXSAKSA-N 2 1 316.470 3.102 20 0 DGADMP C[N@H+](Cc1csc2ccccc12)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723210 619804246 /nfs/dbraw/zinc/80/42/46/619804246.db2.gz FSKTWCQXGFLIGA-YJBOKZPZSA-N 2 1 316.470 3.102 20 0 DGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723973 619804299 /nfs/dbraw/zinc/80/42/99/619804299.db2.gz KFOVLFBSAXWJCE-OGWOLHLISA-N 2 1 314.429 3.194 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723891 619804451 /nfs/dbraw/zinc/80/44/51/619804451.db2.gz JGUKPYOPNPRIIY-CABCVRRESA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723972 619804474 /nfs/dbraw/zinc/80/44/74/619804474.db2.gz KFOVLFBSAXWJCE-IDHHARJASA-N 2 1 314.429 3.194 20 0 DGADMP Clc1ccc(C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725100 619804965 /nfs/dbraw/zinc/80/49/65/619804965.db2.gz WRDMMHYCZPMOOQ-QZTJIDSGSA-N 2 1 320.864 3.073 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903727575 619805385 /nfs/dbraw/zinc/80/53/85/619805385.db2.gz VHNQBDPSVXUEKW-HSALFYBXSA-N 2 1 314.473 3.025 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903730093 619805658 /nfs/dbraw/zinc/80/56/58/619805658.db2.gz UDOKQHLUBGKWJR-SLFFLAALSA-N 2 1 314.473 3.291 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2CF)C1 ZINC000903768404 619809935 /nfs/dbraw/zinc/80/99/35/619809935.db2.gz MPGONQDIYPHAIT-KZNAEPCWSA-N 2 1 306.425 3.017 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000903843769 619822682 /nfs/dbraw/zinc/82/26/82/619822682.db2.gz SGCDKCMOROYRGP-YUTCNCBUSA-N 2 1 301.821 3.200 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC000903843488 619822882 /nfs/dbraw/zinc/82/28/82/619822882.db2.gz LXWILZHWEOIJFK-BPNCWPANSA-N 2 1 315.244 3.184 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1cc(Cl)ccc1Cl)C2 ZINC000903846309 619823187 /nfs/dbraw/zinc/82/31/87/619823187.db2.gz DFCCFKZZVLKBGA-UHTWSYAYSA-N 2 1 315.244 3.184 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cc(Cl)ccc1Cl)C2 ZINC000903846309 619823189 /nfs/dbraw/zinc/82/31/89/619823189.db2.gz DFCCFKZZVLKBGA-UHTWSYAYSA-N 2 1 315.244 3.184 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3ccc(Cl)cc3)o1)C2 ZINC000903849036 619823609 /nfs/dbraw/zinc/82/36/09/619823609.db2.gz WZEYCRSFOBSXCH-CQDKDKBSSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3ccc(Cl)cc3)o1)C2 ZINC000903849036 619823614 /nfs/dbraw/zinc/82/36/14/619823614.db2.gz WZEYCRSFOBSXCH-CQDKDKBSSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000903857908 619825252 /nfs/dbraw/zinc/82/52/52/619825252.db2.gz GMOWEGCKQSIKHI-FCGDIQPGSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000903857908 619825255 /nfs/dbraw/zinc/82/52/55/619825255.db2.gz GMOWEGCKQSIKHI-FCGDIQPGSA-N 2 1 300.446 3.110 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@H]([NH3+])CC(F)F ZINC000903889637 619826042 /nfs/dbraw/zinc/82/60/42/619826042.db2.gz UREPDZRXQZNCAG-CQSZACIVSA-N 2 1 323.387 3.189 20 0 DGADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903889364 619826287 /nfs/dbraw/zinc/82/62/87/619826287.db2.gz RHRJKFRMRMFNOD-YGDSSSOMSA-N 2 1 314.473 3.105 20 0 DGADMP COCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)c1ccccc1 ZINC000903885588 619828537 /nfs/dbraw/zinc/82/85/37/619828537.db2.gz MJULWQUMMSFKJJ-VBZNHOPUSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@H]1CC[NH3+] ZINC000903977148 619848814 /nfs/dbraw/zinc/84/88/14/619848814.db2.gz KHHGPSSBDJGJCX-GHMZBOCLSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC[NH2+]1 ZINC000903987764 619852195 /nfs/dbraw/zinc/85/21/95/619852195.db2.gz IPGGIPGELKAPEW-QLFBSQMISA-N 2 1 319.518 3.199 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904305260 619911468 /nfs/dbraw/zinc/91/14/68/619911468.db2.gz JEYPIDLJRQVJJB-IBGZPJMESA-N 2 1 301.478 3.108 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904305260 619911470 /nfs/dbraw/zinc/91/14/70/619911470.db2.gz JEYPIDLJRQVJJB-IBGZPJMESA-N 2 1 301.478 3.108 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000904313182 619912353 /nfs/dbraw/zinc/91/23/53/619912353.db2.gz SIGFZJAQDQIPED-GLQYFDAESA-N 2 1 309.251 3.323 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000904327974 619913908 /nfs/dbraw/zinc/91/39/08/619913908.db2.gz KOAYZSYHVAOGGG-QXSJWSMHSA-N 2 1 308.491 3.154 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000904384370 619918769 /nfs/dbraw/zinc/91/87/69/619918769.db2.gz JWTPDRHFRGRSFF-UYAOXDASSA-N 3 1 315.505 3.265 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1C(F)F ZINC000904386403 619918965 /nfs/dbraw/zinc/91/89/65/619918965.db2.gz YTXMTLBQMZFFPR-SNVBAGLBSA-N 2 1 308.294 3.098 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904386145 619919019 /nfs/dbraw/zinc/91/90/19/619919019.db2.gz QGOZWSLHRWIZOJ-WBVHZDCISA-N 2 1 307.507 3.096 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H](CC[NH3+])C2)cccc1OCC ZINC000904409958 619920745 /nfs/dbraw/zinc/92/07/45/619920745.db2.gz KYZUBIAQVYGDCO-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000904420108 619922289 /nfs/dbraw/zinc/92/22/89/619922289.db2.gz BIRAPWKKFUYZCK-VHDGCEQUSA-N 2 1 323.278 3.094 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000904420108 619922292 /nfs/dbraw/zinc/92/22/92/619922292.db2.gz BIRAPWKKFUYZCK-VHDGCEQUSA-N 2 1 323.278 3.094 20 0 DGADMP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000904420659 619922328 /nfs/dbraw/zinc/92/23/28/619922328.db2.gz DANPVJNUUSMQHB-DLBZAZTESA-N 2 1 300.446 3.049 20 0 DGADMP CC(C)(C[NH3+])C1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000904444790 619923244 /nfs/dbraw/zinc/92/32/44/619923244.db2.gz SLKYTYYASOCCJY-UHFFFAOYSA-N 2 1 312.461 3.274 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc2ccccc21 ZINC000904471339 619924685 /nfs/dbraw/zinc/92/46/85/619924685.db2.gz HMHWUEVOOZMXHR-RISCZKNCSA-N 2 1 308.372 3.482 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc2ccccc21 ZINC000904471337 619924691 /nfs/dbraw/zinc/92/46/91/619924691.db2.gz HMHWUEVOOZMXHR-FZMZJTMJSA-N 2 1 308.372 3.482 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn(C)cn2)c1 ZINC000924827974 620265394 /nfs/dbraw/zinc/26/53/94/620265394.db2.gz FMZISQZXGQMLJF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn(C)cn2)c1 ZINC000924827974 620265395 /nfs/dbraw/zinc/26/53/95/620265395.db2.gz FMZISQZXGQMLJF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1([NH+]2CCCCC2)CCOCC1 ZINC000925387746 620462858 /nfs/dbraw/zinc/46/28/58/620462858.db2.gz PMEIPDHAYXJNQK-ALOPSCKCSA-N 2 1 324.534 3.038 20 0 DGADMP Cc1cnc(Cl)c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000921513558 620894917 /nfs/dbraw/zinc/89/49/17/620894917.db2.gz LMWIIZXPXYZOHB-UHFFFAOYSA-N 2 1 303.837 3.395 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921541610 620905019 /nfs/dbraw/zinc/90/50/19/620905019.db2.gz IXLPLARZVJMBJY-FCGDIQPGSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000921619723 620915806 /nfs/dbraw/zinc/91/58/06/620915806.db2.gz OQEDMQMVRCCGEI-NEWSRXKRSA-N 2 1 308.510 3.292 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2C2CCC2)c1 ZINC000921686486 620933548 /nfs/dbraw/zinc/93/35/48/620933548.db2.gz KUBRCUQZENGXBF-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)C(C)(C)C ZINC000921747849 620943615 /nfs/dbraw/zinc/94/36/15/620943615.db2.gz DWAHKHNGGFOEBM-QGZVFWFLSA-N 2 1 306.498 3.139 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921915604 620968328 /nfs/dbraw/zinc/96/83/28/620968328.db2.gz VINRUGSTLKENHZ-FCGDIQPGSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980844 620976516 /nfs/dbraw/zinc/97/65/16/620976516.db2.gz OSQWEOXCANFQFS-WBVHZDCISA-N 2 1 316.493 3.351 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980844 620976519 /nfs/dbraw/zinc/97/65/19/620976519.db2.gz OSQWEOXCANFQFS-WBVHZDCISA-N 2 1 316.493 3.351 20 0 DGADMP CSCc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000922064588 620985210 /nfs/dbraw/zinc/98/52/10/620985210.db2.gz WBODIDPPWYUCRS-INIZCTEOSA-N 2 1 301.459 3.098 20 0 DGADMP CCC(CC)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856552692 621004674 /nfs/dbraw/zinc/00/46/74/621004674.db2.gz ORAYGHXSDPIJCV-LJQANCHMSA-N 2 1 319.493 3.423 20 0 DGADMP CCC(CC)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856552692 621004676 /nfs/dbraw/zinc/00/46/76/621004676.db2.gz ORAYGHXSDPIJCV-LJQANCHMSA-N 2 1 319.493 3.423 20 0 DGADMP CCC(CC)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856552692 621004678 /nfs/dbraw/zinc/00/46/78/621004678.db2.gz ORAYGHXSDPIJCV-LJQANCHMSA-N 2 1 319.493 3.423 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(C)(C)C)C2)ccn1 ZINC000856551036 621004999 /nfs/dbraw/zinc/00/49/99/621004999.db2.gz JIRQBRVJKCWAMY-GOSISDBHSA-N 2 1 319.493 3.423 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(C)(C)C)C2)ccn1 ZINC000856551036 621005004 /nfs/dbraw/zinc/00/50/04/621005004.db2.gz JIRQBRVJKCWAMY-GOSISDBHSA-N 2 1 319.493 3.423 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)ccn1 ZINC000856551036 621005007 /nfs/dbraw/zinc/00/50/07/621005007.db2.gz JIRQBRVJKCWAMY-GOSISDBHSA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856551840 621005053 /nfs/dbraw/zinc/00/50/53/621005053.db2.gz AWWGQZDDSBJFRO-APWZRJJASA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551840 621005055 /nfs/dbraw/zinc/00/50/55/621005055.db2.gz AWWGQZDDSBJFRO-APWZRJJASA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551840 621005058 /nfs/dbraw/zinc/00/50/58/621005058.db2.gz AWWGQZDDSBJFRO-APWZRJJASA-N 2 1 319.493 3.423 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)CC(C)C)C2)ccn1 ZINC000856584388 621006015 /nfs/dbraw/zinc/00/60/15/621006015.db2.gz IYYRPTDOVZXZKN-QFBILLFUSA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)CC(C)C)C2)ccn1 ZINC000856584388 621006016 /nfs/dbraw/zinc/00/60/16/621006016.db2.gz IYYRPTDOVZXZKN-QFBILLFUSA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)CC(C)C)C2)ccn1 ZINC000856584388 621006021 /nfs/dbraw/zinc/00/60/21/621006021.db2.gz IYYRPTDOVZXZKN-QFBILLFUSA-N 2 1 319.493 3.421 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1c2c(nn1C)CCC2)C1CCCCC1 ZINC000922216073 621006935 /nfs/dbraw/zinc/00/69/35/621006935.db2.gz MGBFZDYJXZYVMH-UHFFFAOYSA-N 2 1 318.509 3.043 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1c2c(nn1C)CCC2)C1CCCCC1 ZINC000922216073 621006939 /nfs/dbraw/zinc/00/69/39/621006939.db2.gz MGBFZDYJXZYVMH-UHFFFAOYSA-N 2 1 318.509 3.043 20 0 DGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCCC1)C2 ZINC000922386973 621032611 /nfs/dbraw/zinc/03/26/11/621032611.db2.gz ICMQVHPMWUQLTI-MKXGPGLRSA-N 2 1 308.510 3.026 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCCC1)C2 ZINC000922386972 621032708 /nfs/dbraw/zinc/03/27/08/621032708.db2.gz ICMQVHPMWUQLTI-AKHDSKFASA-N 2 1 308.510 3.026 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3sccc3C)C2)[C@@H]1C(C)C ZINC000922393712 621032935 /nfs/dbraw/zinc/03/29/35/621032935.db2.gz SSPFCFSKCATATA-XYVMCAHJSA-N 2 1 322.518 3.016 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000922509046 621048774 /nfs/dbraw/zinc/04/87/74/621048774.db2.gz HZBGCPCDQUBWHV-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP Fc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000922705738 621086587 /nfs/dbraw/zinc/08/65/87/621086587.db2.gz JVNIQDKJJQOXGK-ROUUACIJSA-N 2 1 302.437 3.464 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819881 621104847 /nfs/dbraw/zinc/10/48/47/621104847.db2.gz DSXWRXMVELJEAG-RBUKOAKNSA-N 2 1 316.489 3.324 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819881 621104851 /nfs/dbraw/zinc/10/48/51/621104851.db2.gz DSXWRXMVELJEAG-RBUKOAKNSA-N 2 1 316.489 3.324 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000857782731 621118864 /nfs/dbraw/zinc/11/88/64/621118864.db2.gz BOSHXTIARSYNGJ-UHFFFAOYSA-N 2 1 317.742 3.425 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857846765 621121178 /nfs/dbraw/zinc/12/11/78/621121178.db2.gz GSHBOWQAMUIOQB-UXLLHSPISA-N 2 1 304.482 3.135 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857846765 621121182 /nfs/dbraw/zinc/12/11/82/621121182.db2.gz GSHBOWQAMUIOQB-UXLLHSPISA-N 2 1 304.482 3.135 20 0 DGADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000857913743 621131480 /nfs/dbraw/zinc/13/14/80/621131480.db2.gz FLKQTDRYXVZHRH-HOCLYGCPSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000857913743 621131483 /nfs/dbraw/zinc/13/14/83/621131483.db2.gz FLKQTDRYXVZHRH-HOCLYGCPSA-N 2 1 319.880 3.434 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1(C)C ZINC000858133359 621156397 /nfs/dbraw/zinc/15/63/97/621156397.db2.gz SWUFMWGUWMBNMO-RTBURBONSA-N 2 1 312.457 3.336 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923299844 621172803 /nfs/dbraw/zinc/17/28/03/621172803.db2.gz XXBQAZIHRBSQEX-AYHJJNSGSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccsc2)O1 ZINC000923316248 621174885 /nfs/dbraw/zinc/17/48/85/621174885.db2.gz FWEXCMLINVWKGU-BDFJQQSHSA-N 2 1 320.502 3.431 20 0 DGADMP C[C@@H]1C[C@@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000923323583 621176609 /nfs/dbraw/zinc/17/66/09/621176609.db2.gz USVYJWKRAOPKQD-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC000923386506 621180883 /nfs/dbraw/zinc/18/08/83/621180883.db2.gz CBQDMTQXGUBKEB-KZNAEPCWSA-N 2 1 306.494 3.175 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC2CCC3(CC3)CC2)C1 ZINC000923393645 621181266 /nfs/dbraw/zinc/18/12/66/621181266.db2.gz VJEFCDJSSKUZLD-SQNIBIBYSA-N 2 1 306.494 3.318 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC2CCC3(CC3)CC2)C1 ZINC000923393642 621181365 /nfs/dbraw/zinc/18/13/65/621181365.db2.gz VJEFCDJSSKUZLD-FGTMMUONSA-N 2 1 306.494 3.318 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000923487863 621187069 /nfs/dbraw/zinc/18/70/69/621187069.db2.gz IHLVFLARCWKRDF-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000923480929 621187490 /nfs/dbraw/zinc/18/74/90/621187490.db2.gz DAOXUGPSAGQIAB-GFCCVEGCSA-N 2 1 305.422 3.120 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000923484193 621187707 /nfs/dbraw/zinc/18/77/07/621187707.db2.gz HLLLSDIJZQJAIF-CYBMUJFWSA-N 2 1 302.447 3.057 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000923493106 621188187 /nfs/dbraw/zinc/18/81/87/621188187.db2.gz RAPPFDLHGZUGMK-MRXNPFEDSA-N 2 1 323.440 3.110 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497854 621188639 /nfs/dbraw/zinc/18/86/39/621188639.db2.gz MUDNAMVYFAHWDN-CMPLNLGQSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@H]1C[NH3+] ZINC000923503878 621189151 /nfs/dbraw/zinc/18/91/51/621189151.db2.gz MFYFUPYZQKRKFC-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923498981 621189294 /nfs/dbraw/zinc/18/92/94/621189294.db2.gz JTSJZKOTAAQOEE-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1C[NH3+] ZINC000923500470 621189383 /nfs/dbraw/zinc/18/93/83/621189383.db2.gz RFTIITYKQWQCMW-MNOVXSKESA-N 2 1 315.230 3.005 20 0 DGADMP C(c1nc2c(o1)CCCC2)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506184 621189865 /nfs/dbraw/zinc/18/98/65/621189865.db2.gz IRUBIHQGNPLBNO-HNNXBMFYSA-N 2 1 317.477 3.155 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858447467 621192142 /nfs/dbraw/zinc/19/21/42/621192142.db2.gz UUUXQJCMDKCSBW-INIZCTEOSA-N 2 1 317.477 3.055 20 0 DGADMP Cc1csc(C[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000923551696 621193168 /nfs/dbraw/zinc/19/31/68/621193168.db2.gz OSYVCXITSRSBDB-MRXNPFEDSA-N 2 1 307.507 3.096 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])Cc1nc(-c2cccs2)no1 ZINC000923555670 621194132 /nfs/dbraw/zinc/19/41/32/621194132.db2.gz UEMUTXJWAZTWCL-UHFFFAOYSA-N 2 1 308.451 3.139 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@@H](O)c2ccccc2)cc1 ZINC000859211911 621260600 /nfs/dbraw/zinc/26/06/00/621260600.db2.gz CQELKUOAEIJGLD-HXUWFJFHSA-N 2 1 312.457 3.304 20 0 DGADMP Cc1cccc2nc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)cn21 ZINC000859214272 621261028 /nfs/dbraw/zinc/26/10/28/621261028.db2.gz HPSCMBGSPUONST-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP Cc1cccc2nc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)cn21 ZINC000859214272 621261031 /nfs/dbraw/zinc/26/10/31/621261031.db2.gz HPSCMBGSPUONST-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP C/C(=C/c1ccc(Cl)cc1)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000753849184 621468345 /nfs/dbraw/zinc/46/83/45/621468345.db2.gz PPVKSBFIHSWTKO-AXIDZEKWSA-N 2 1 320.864 3.196 20 0 DGADMP C/C(=C/c1ccc(Cl)cc1)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000753849184 621468346 /nfs/dbraw/zinc/46/83/46/621468346.db2.gz PPVKSBFIHSWTKO-AXIDZEKWSA-N 2 1 320.864 3.196 20 0 DGADMP C/C(=C/c1ccc(Cl)cc1)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000753849185 621468421 /nfs/dbraw/zinc/46/84/21/621468421.db2.gz PPVKSBFIHSWTKO-FCBCJYRNSA-N 2 1 320.864 3.196 20 0 DGADMP C/C(=C/c1ccc(Cl)cc1)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000753849185 621468422 /nfs/dbraw/zinc/46/84/22/621468422.db2.gz PPVKSBFIHSWTKO-FCBCJYRNSA-N 2 1 320.864 3.196 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000755038765 621548392 /nfs/dbraw/zinc/54/83/92/621548392.db2.gz BYMFZJJLODANRM-OALUTQOASA-N 2 1 304.478 3.306 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000755038765 621548394 /nfs/dbraw/zinc/54/83/94/621548394.db2.gz BYMFZJJLODANRM-OALUTQOASA-N 2 1 304.478 3.306 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000862483074 621594343 /nfs/dbraw/zinc/59/43/43/621594343.db2.gz ONXZVVTYQREJPU-INIZCTEOSA-N 2 1 318.461 3.153 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863483263 621677446 /nfs/dbraw/zinc/67/74/46/621677446.db2.gz TXRKQDKUWVYJKJ-WFASDCNBSA-N 2 1 323.278 3.254 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839650215 621703811 /nfs/dbraw/zinc/70/38/11/621703811.db2.gz KMBRGABZLVAWRX-UFYCRDLUSA-N 2 1 316.489 3.101 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839650215 621703813 /nfs/dbraw/zinc/70/38/13/621703813.db2.gz KMBRGABZLVAWRX-UFYCRDLUSA-N 2 1 316.489 3.101 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865419862 621916148 /nfs/dbraw/zinc/91/61/48/621916148.db2.gz ZWBGWYGIPPZRFK-UHFFFAOYSA-N 2 1 313.323 3.112 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000865433539 621919581 /nfs/dbraw/zinc/91/95/81/621919581.db2.gz SIYDBOKXEOPCBI-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000865433539 621919585 /nfs/dbraw/zinc/91/95/85/621919585.db2.gz SIYDBOKXEOPCBI-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865448113 621923645 /nfs/dbraw/zinc/92/36/45/621923645.db2.gz BAQMOEZRBVFKMQ-CYBMUJFWSA-N 2 1 312.392 3.305 20 0 DGADMP Cc1cc[nH+]c(N2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)c1 ZINC000865620739 621964101 /nfs/dbraw/zinc/96/41/01/621964101.db2.gz BMYWEAFPUVCLOJ-UHFFFAOYSA-N 2 1 322.334 3.130 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000865660757 621973040 /nfs/dbraw/zinc/97/30/40/621973040.db2.gz BFSYUCGEWYORKE-MAUKXSAKSA-N 2 1 313.420 3.078 20 0 DGADMP O[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000865875951 622013713 /nfs/dbraw/zinc/01/37/13/622013713.db2.gz MSWQSZLBVZBINH-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866392367 622109957 /nfs/dbraw/zinc/10/99/57/622109957.db2.gz AUESAQSXIGLZFT-VQIMIIECSA-N 2 1 301.478 3.114 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000866535694 622134287 /nfs/dbraw/zinc/13/42/87/622134287.db2.gz WKZFRBGVYCYGNF-BYNSBNAKSA-N 2 1 304.400 3.451 20 0 DGADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666461 622154359 /nfs/dbraw/zinc/15/43/59/622154359.db2.gz RZYRRUBPISSBHA-VXGBXAGGSA-N 2 1 314.260 3.210 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000866668668 622154689 /nfs/dbraw/zinc/15/46/89/622154689.db2.gz HSLLNTSXFMNKGJ-ZDUSSCGKSA-N 2 1 323.868 3.036 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)oc21 ZINC000763616925 622155363 /nfs/dbraw/zinc/15/53/63/622155363.db2.gz TZIYNPAHPMIGDJ-HNNXBMFYSA-N 2 1 302.418 3.358 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)oc21 ZINC000763616925 622155365 /nfs/dbraw/zinc/15/53/65/622155365.db2.gz TZIYNPAHPMIGDJ-HNNXBMFYSA-N 2 1 302.418 3.358 20 0 DGADMP CC(C)C[N@@H+](CCCC1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000866718301 622159775 /nfs/dbraw/zinc/15/97/75/622159775.db2.gz ZDWYORQTSVVBKW-UHFFFAOYSA-N 3 1 309.542 3.066 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](NCc2c(C)cccc2F)[C@@H](C)C1 ZINC000766217351 622312962 /nfs/dbraw/zinc/31/29/62/622312962.db2.gz YOUMEVMDMVXAIA-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2F)[C@@H](C)C1 ZINC000766217351 622312966 /nfs/dbraw/zinc/31/29/66/622312966.db2.gz YOUMEVMDMVXAIA-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2F)[C@@H](C)C1 ZINC000766217351 622312969 /nfs/dbraw/zinc/31/29/69/622312969.db2.gz YOUMEVMDMVXAIA-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CC(C)C[C@H](C[NH+](C)C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000123105369 622463819 /nfs/dbraw/zinc/46/38/19/622463819.db2.gz LCUNBGUELPZIQK-HXUWFJFHSA-N 2 1 317.521 3.217 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000769013883 622492340 /nfs/dbraw/zinc/49/23/40/622492340.db2.gz VYUUKPDBMGLMKD-ROUUACIJSA-N 2 1 304.503 3.036 20 0 DGADMP CC[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(F)F ZINC000871785457 622697479 /nfs/dbraw/zinc/69/74/79/622697479.db2.gz UCYMSHCYOQFKSH-WODVXLOZSA-N 2 1 303.397 3.039 20 0 DGADMP CC[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)F ZINC000871785457 622697482 /nfs/dbraw/zinc/69/74/82/622697482.db2.gz UCYMSHCYOQFKSH-WODVXLOZSA-N 2 1 303.397 3.039 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2S1 ZINC000872029286 622761845 /nfs/dbraw/zinc/76/18/45/622761845.db2.gz VWNRDGHFUGKILF-GDBMZVCRSA-N 2 1 320.502 3.048 20 0 DGADMP CC[C@H](CCC(F)(F)F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000872033450 622764696 /nfs/dbraw/zinc/76/46/96/622764696.db2.gz HLVRUKYYXPOAQG-CQSZACIVSA-N 2 1 322.415 3.342 20 0 DGADMP CC[C@H](CCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000872066804 622786900 /nfs/dbraw/zinc/78/69/00/622786900.db2.gz QTDMBSAUDYBPIO-UONOGXRCSA-N 2 1 310.404 3.198 20 0 DGADMP CC[C@H](CCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000872066804 622786906 /nfs/dbraw/zinc/78/69/06/622786906.db2.gz QTDMBSAUDYBPIO-UONOGXRCSA-N 2 1 310.404 3.198 20 0 DGADMP Cc1conc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000872144155 622831310 /nfs/dbraw/zinc/83/13/10/622831310.db2.gz WCQNHMGCDGAJCF-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1conc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000872144155 622831319 /nfs/dbraw/zinc/83/13/19/622831319.db2.gz WCQNHMGCDGAJCF-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP FC(F)(F)c1coc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000872143059 622831575 /nfs/dbraw/zinc/83/15/75/622831575.db2.gz KIFZKPVVCKWTNU-LBPRGKRZSA-N 2 1 302.340 3.120 20 0 DGADMP Cc1csc([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000872150177 622834040 /nfs/dbraw/zinc/83/40/40/622834040.db2.gz YTROMTOUPBPRFN-INIZCTEOSA-N 2 1 313.470 3.087 20 0 DGADMP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872154797 622834447 /nfs/dbraw/zinc/83/44/47/622834447.db2.gz APDUUFHOMPBSMB-AWEZNQCLSA-N 2 1 323.506 3.186 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1C(F)(F)F ZINC000872152144 622834914 /nfs/dbraw/zinc/83/49/14/622834914.db2.gz ZLVWIWPWPBAWSB-ZWNOBZJWSA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@H]1C(F)(F)F ZINC000872152144 622834921 /nfs/dbraw/zinc/83/49/21/622834921.db2.gz ZLVWIWPWPBAWSB-ZWNOBZJWSA-N 2 1 314.376 3.470 20 0 DGADMP CCc1ccc2c(C[N@@H+](C)CCCCCC[NH3+])cc(=O)oc2c1 ZINC000872155769 622836363 /nfs/dbraw/zinc/83/63/63/622836363.db2.gz WIYHFTYOXHEYNT-UHFFFAOYSA-N 2 1 316.445 3.306 20 0 DGADMP CCc1nocc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156004 622836515 /nfs/dbraw/zinc/83/65/15/622836515.db2.gz CHCUKLNQDNCZFS-YOEHRIQHSA-N 2 1 305.466 3.357 20 0 DGADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])cc1Cl ZINC000872155267 622836572 /nfs/dbraw/zinc/83/65/72/622836572.db2.gz PTEMJKMGQQEMTN-UHFFFAOYSA-N 2 1 311.857 3.038 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccn(-c2c(F)cccc2F)n1 ZINC000872155854 622837638 /nfs/dbraw/zinc/83/76/38/622837638.db2.gz YNFVRSUHOPTBNX-UHFFFAOYSA-N 2 1 322.403 3.101 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1)C1CCCC1 ZINC000872157751 622838848 /nfs/dbraw/zinc/83/88/48/622838848.db2.gz QRTHZLOTLOENDF-NUEKZKHPSA-N 2 1 316.436 3.030 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCc2cccnc2)C1)C1CCCC1 ZINC000872158267 622840766 /nfs/dbraw/zinc/84/07/66/622840766.db2.gz UOQFAXFAPDMVGV-HKUYNNGSSA-N 2 1 301.478 3.244 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)sc2c1C[NH2+]CC2 ZINC000872255306 622868570 /nfs/dbraw/zinc/86/85/70/622868570.db2.gz AXRARBKCVQZSQT-MRXNPFEDSA-N 2 1 320.502 3.317 20 0 DGADMP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872455301 622917511 /nfs/dbraw/zinc/91/75/11/622917511.db2.gz OLGFDSLKRPEAJS-OAHLLOKOSA-N 2 1 308.429 3.237 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000872781357 622977677 /nfs/dbraw/zinc/97/76/77/622977677.db2.gz SHYNAWBGFFFRHQ-IRXDYDNUSA-N 2 1 315.392 3.055 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000872781357 622977680 /nfs/dbraw/zinc/97/76/80/622977680.db2.gz SHYNAWBGFFFRHQ-IRXDYDNUSA-N 2 1 315.392 3.055 20 0 DGADMP CCOc1cccc(F)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000873062120 623028122 /nfs/dbraw/zinc/02/81/22/623028122.db2.gz XDQRRIQMWOSFPH-UHFFFAOYSA-N 2 1 305.397 3.299 20 0 DGADMP CCCO[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873205417 623074325 /nfs/dbraw/zinc/07/43/25/623074325.db2.gz PFHNUNSONJGXBF-OAHLLOKOSA-N 2 1 308.491 3.175 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C12CCC2 ZINC000873207583 623074905 /nfs/dbraw/zinc/07/49/05/623074905.db2.gz XIGSFRODRCTBJG-IAGOWNOFSA-N 2 1 320.502 3.173 20 0 DGADMP c1c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000873208648 623075798 /nfs/dbraw/zinc/07/57/98/623075798.db2.gz ZOPWMMUVQUZWLF-GOEBONIOSA-N 2 1 308.516 3.254 20 0 DGADMP C[C@H]1COc2ccccc2C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210599 623075852 /nfs/dbraw/zinc/07/58/52/623075852.db2.gz LJEYYEIILMYBSP-ZDUSSCGKSA-N 2 1 314.454 3.177 20 0 DGADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000873218899 623078436 /nfs/dbraw/zinc/07/84/36/623078436.db2.gz BIYKBDSFBIHRQD-WBFXSEPVSA-N 3 1 315.505 3.332 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000873222303 623080648 /nfs/dbraw/zinc/08/06/48/623080648.db2.gz LPNWDGXQFLJAPN-KRWDZBQOSA-N 3 1 317.521 3.122 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000873222303 623080653 /nfs/dbraw/zinc/08/06/53/623080653.db2.gz LPNWDGXQFLJAPN-KRWDZBQOSA-N 2 1 317.521 3.122 20 0 DGADMP COCCC1([NH2+]Cc2cc3cc(C)c(C)cc3o2)CC[NH2+]CC1 ZINC000873224549 623080884 /nfs/dbraw/zinc/08/08/84/623080884.db2.gz FNXYWTAJFBKVIX-UHFFFAOYSA-N 2 1 316.445 3.298 20 0 DGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227416 623081020 /nfs/dbraw/zinc/08/10/20/623081020.db2.gz GTKZPKMJZIIKBZ-BXUZGUMPSA-N 2 1 312.335 3.310 20 0 DGADMP CCSc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873228457 623082580 /nfs/dbraw/zinc/08/25/80/623082580.db2.gz SALUMPYUYQTTOU-JSGCOSHPSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873228457 623082584 /nfs/dbraw/zinc/08/25/84/623082584.db2.gz SALUMPYUYQTTOU-JSGCOSHPSA-N 2 1 318.408 3.368 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1Cl ZINC000873235654 623086561 /nfs/dbraw/zinc/08/65/61/623086561.db2.gz RGYZNYMGUPPZEO-DZGCQCFKSA-N 2 1 303.837 3.346 20 0 DGADMP CC1(C)CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)[NH2+]C1 ZINC000873235421 623086747 /nfs/dbraw/zinc/08/67/47/623086747.db2.gz OGSBZFDYZQXYOU-QGZVFWFLSA-N 2 1 301.478 3.023 20 0 DGADMP Fc1ccc2c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)noc2c1 ZINC000873274655 623100780 /nfs/dbraw/zinc/10/07/80/623100780.db2.gz FMDSUIGFXFHDOX-VNQPRFMTSA-N 2 1 317.408 3.367 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774158567 623114339 /nfs/dbraw/zinc/11/43/39/623114339.db2.gz LTEXIRCMFQMMEO-MQVJKMGUSA-N 2 1 302.462 3.188 20 0 DGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000774947767 623210337 /nfs/dbraw/zinc/21/03/37/623210337.db2.gz FLOPHUDMQWOGFI-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000775189158 623240438 /nfs/dbraw/zinc/24/04/38/623240438.db2.gz CCIABLAMIXDXFF-NSHDSACASA-N 2 1 324.222 3.155 20 0 DGADMP Cn1ccnc1[C@H]1CCCN(Cc2occc2Br)C1 ZINC000775189158 623240442 /nfs/dbraw/zinc/24/04/42/623240442.db2.gz CCIABLAMIXDXFF-NSHDSACASA-N 2 1 324.222 3.155 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000775953890 623357372 /nfs/dbraw/zinc/35/73/72/623357372.db2.gz CPVYLOQFMXTFBW-PXNSSMCTSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCOCc1ccccc1 ZINC000876915959 623743870 /nfs/dbraw/zinc/74/38/70/623743870.db2.gz GDAQWMQAUPQOSW-IAGOWNOFSA-N 2 1 315.461 3.413 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000876963923 623756729 /nfs/dbraw/zinc/75/67/29/623756729.db2.gz LEKQTFYOMRDIJK-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000876988834 623760305 /nfs/dbraw/zinc/76/03/05/623760305.db2.gz NIHVZGAPWQQTAX-MDOVXXIYSA-N 2 1 304.415 3.031 20 0 DGADMP C[C@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000779343697 623761875 /nfs/dbraw/zinc/76/18/75/623761875.db2.gz YZSXXLDUSBCANM-IXDOHACOSA-N 2 1 304.478 3.025 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000877020428 623767394 /nfs/dbraw/zinc/76/73/94/623767394.db2.gz SZGGVGXFJWBQQA-AWEZNQCLSA-N 2 1 301.261 3.422 20 0 DGADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877027166 623768824 /nfs/dbraw/zinc/76/88/24/623768824.db2.gz KFKKSVYSOLGAQY-WDSOQIARSA-N 2 1 302.462 3.105 20 0 DGADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877027166 623768826 /nfs/dbraw/zinc/76/88/26/623768826.db2.gz KFKKSVYSOLGAQY-WDSOQIARSA-N 2 1 302.462 3.105 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877521174 623922305 /nfs/dbraw/zinc/92/23/05/623922305.db2.gz RZMLXEASASXNHD-AUSJPIAWSA-N 2 1 304.415 3.173 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877521174 623922308 /nfs/dbraw/zinc/92/23/08/623922308.db2.gz RZMLXEASASXNHD-AUSJPIAWSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000877653896 623979089 /nfs/dbraw/zinc/97/90/89/623979089.db2.gz QZDSAUZYFORODX-SXGZJXTBSA-N 2 1 304.415 3.031 20 0 DGADMP COCC[N@H+](Cc1cc2ccccc2o1)CC1CC[NH+](C)CC1 ZINC000877665331 623983658 /nfs/dbraw/zinc/98/36/58/623983658.db2.gz RHNYDLIXDQOEJI-UHFFFAOYSA-N 2 1 316.445 3.223 20 0 DGADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000780851259 623990142 /nfs/dbraw/zinc/99/01/42/623990142.db2.gz KWEFWVAEORUQMK-MJBXVCDLSA-N 2 1 321.440 3.087 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742867 624015472 /nfs/dbraw/zinc/01/54/72/624015472.db2.gz RUKISYQNLYZUNH-BXUZGUMPSA-N 2 1 321.877 3.476 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742867 624015476 /nfs/dbraw/zinc/01/54/76/624015476.db2.gz RUKISYQNLYZUNH-BXUZGUMPSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742867 624015477 /nfs/dbraw/zinc/01/54/77/624015477.db2.gz RUKISYQNLYZUNH-BXUZGUMPSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742867 624015481 /nfs/dbraw/zinc/01/54/81/624015481.db2.gz RUKISYQNLYZUNH-BXUZGUMPSA-N 2 1 321.877 3.476 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742805 624015661 /nfs/dbraw/zinc/01/56/61/624015661.db2.gz REGZPFUABCUEFE-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742805 624015663 /nfs/dbraw/zinc/01/56/63/624015663.db2.gz REGZPFUABCUEFE-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742805 624015668 /nfs/dbraw/zinc/01/56/68/624015668.db2.gz REGZPFUABCUEFE-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000877742805 624015671 /nfs/dbraw/zinc/01/56/71/624015671.db2.gz REGZPFUABCUEFE-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP Cc1c(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)ccnc1F ZINC000877767707 624028418 /nfs/dbraw/zinc/02/84/18/624028418.db2.gz UIJGQMRPVZGPEV-UHFFFAOYSA-N 2 1 307.457 3.329 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878198721 624211709 /nfs/dbraw/zinc/21/17/09/624211709.db2.gz YHOUMMRBHMHMLZ-WCIQWLHISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878198721 624211712 /nfs/dbraw/zinc/21/17/12/624211712.db2.gz YHOUMMRBHMHMLZ-WCIQWLHISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878198721 624211716 /nfs/dbraw/zinc/21/17/16/624211716.db2.gz YHOUMMRBHMHMLZ-WCIQWLHISA-N 2 1 314.473 3.323 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878410791 624271242 /nfs/dbraw/zinc/27/12/42/624271242.db2.gz BNVHZILGGCCJCY-KWWJQKEASA-N 2 1 306.494 3.187 20 0 DGADMP c1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)cc1 ZINC000782759535 624281121 /nfs/dbraw/zinc/28/11/21/624281121.db2.gz ZWLOPFKUXDNLCI-OXJNMPFZSA-N 2 1 314.473 3.228 20 0 DGADMP CCOCOc1ccc(CNCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000782948863 624293147 /nfs/dbraw/zinc/29/31/47/624293147.db2.gz CBEXMUJGWFMMDY-KRWDZBQOSA-N 2 1 320.477 3.414 20 0 DGADMP CCOCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000782948863 624293148 /nfs/dbraw/zinc/29/31/48/624293148.db2.gz CBEXMUJGWFMMDY-KRWDZBQOSA-N 2 1 320.477 3.414 20 0 DGADMP CCOCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000782948863 624293153 /nfs/dbraw/zinc/29/31/53/624293153.db2.gz CBEXMUJGWFMMDY-KRWDZBQOSA-N 2 1 320.477 3.414 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 ZINC000878667799 624335910 /nfs/dbraw/zinc/33/59/10/624335910.db2.gz BFZXNTYCAJZNHE-YZGWKJHDSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H](CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580757 624599364 /nfs/dbraw/zinc/59/93/64/624599364.db2.gz JWTNEOWHRAVYPB-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580757 624599368 /nfs/dbraw/zinc/59/93/68/624599368.db2.gz JWTNEOWHRAVYPB-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OCc1ccccc1 ZINC000879580757 624599369 /nfs/dbraw/zinc/59/93/69/624599369.db2.gz JWTNEOWHRAVYPB-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OCc1ccccc1 ZINC000879580757 624599375 /nfs/dbraw/zinc/59/93/75/624599375.db2.gz JWTNEOWHRAVYPB-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)C[N@@H+](CCCOCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879702631 624645673 /nfs/dbraw/zinc/64/56/73/624645673.db2.gz SJPMVUWMYBBIIK-UHFFFAOYSA-N 2 1 324.431 3.255 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)CC1CC[NH+](C)CC1 ZINC000879706136 624646636 /nfs/dbraw/zinc/64/66/36/624646636.db2.gz VQHMEFCWIPLTEG-FHWLQOOXSA-N 2 1 308.510 3.244 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000879950933 624730495 /nfs/dbraw/zinc/73/04/95/624730495.db2.gz DUQSNGVSUGSTCW-IBGZPJMESA-N 2 1 316.489 3.451 20 0 DGADMP CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000880148729 624808825 /nfs/dbraw/zinc/80/88/25/624808825.db2.gz KUGBTUWQDWDQQL-IBGZPJMESA-N 2 1 316.489 3.265 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786147613 624809230 /nfs/dbraw/zinc/80/92/30/624809230.db2.gz NYIUSMGTTJQPHC-ZWKOTPCHSA-N 2 1 306.494 3.332 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000786147613 624809235 /nfs/dbraw/zinc/80/92/35/624809235.db2.gz NYIUSMGTTJQPHC-ZWKOTPCHSA-N 2 1 306.494 3.332 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000880472990 624964753 /nfs/dbraw/zinc/96/47/53/624964753.db2.gz KVIDHHDCSHNEHG-UHFFFAOYSA-N 2 1 311.429 3.001 20 0 DGADMP COC(=O)c1csc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000880517743 624971301 /nfs/dbraw/zinc/97/13/01/624971301.db2.gz VPLIBVYDPLFXRP-UHFFFAOYSA-N 2 1 324.490 3.233 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1ccc(F)cc1 ZINC000880516884 624971415 /nfs/dbraw/zinc/97/14/15/624971415.db2.gz BXSKPXQWZMEEQP-SFHVURJKSA-N 2 1 308.441 3.057 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788475993 625191211 /nfs/dbraw/zinc/19/12/11/625191211.db2.gz KXHASOKCYFWGTA-GOSISDBHSA-N 2 1 302.462 3.044 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000788482850 625193609 /nfs/dbraw/zinc/19/36/09/625193609.db2.gz YLTBRWALTQIGAX-LJQANCHMSA-N 2 1 322.468 3.159 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000788609109 625227051 /nfs/dbraw/zinc/22/70/51/625227051.db2.gz IMLOAPSXPKBMSD-CVEARBPZSA-N 2 1 313.445 3.348 20 0 DGADMP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1sccc1Cl ZINC000883187949 625961245 /nfs/dbraw/zinc/96/12/45/625961245.db2.gz ZZFSLJZQHCKQQJ-OCCSQVGLSA-N 2 1 315.914 3.078 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)[C@H](C)C1 ZINC000883190182 625963679 /nfs/dbraw/zinc/96/36/79/625963679.db2.gz WZDWQENNIHFZLE-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCC4(CC4)C3)CC2)nc(C)[nH+]1 ZINC000883195933 625965980 /nfs/dbraw/zinc/96/59/80/625965980.db2.gz GOAWHPOWZGMWLE-KRWDZBQOSA-N 2 1 314.477 3.375 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000796691804 626073655 /nfs/dbraw/zinc/07/36/55/626073655.db2.gz DNBIACSOXRJOKO-XIRDDKMYSA-N 2 1 306.425 3.057 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796754647 626078898 /nfs/dbraw/zinc/07/88/98/626078898.db2.gz KHDNJWSGWLFCLM-ZHALLVOQSA-N 2 1 301.478 3.105 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178742 626277755 /nfs/dbraw/zinc/27/77/55/626277755.db2.gz HRNISXDLZZXLOB-UHFFFAOYSA-N 2 1 316.489 3.490 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000799178898 626277932 /nfs/dbraw/zinc/27/79/32/626277932.db2.gz PZZVEFZRBYSEFF-UHFFFAOYSA-N 2 1 306.425 3.012 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC3CC3)CC2)[C@H](C)C1 ZINC000883253290 626625110 /nfs/dbraw/zinc/62/51/10/626625110.db2.gz NWQAUXOTXLKKKJ-SJLPKXTDSA-N 2 1 308.510 3.293 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883257795 626626377 /nfs/dbraw/zinc/62/63/77/626626377.db2.gz KTOJQSBOIODTOG-MSOLQXFVSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883257795 626626379 /nfs/dbraw/zinc/62/63/79/626626379.db2.gz KTOJQSBOIODTOG-MSOLQXFVSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416306 626677523 /nfs/dbraw/zinc/67/75/23/626677523.db2.gz RIGWHVXWUPMHED-WNHJNPCNSA-N 2 1 302.462 3.499 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416306 626677527 /nfs/dbraw/zinc/67/75/27/626677527.db2.gz RIGWHVXWUPMHED-WNHJNPCNSA-N 2 1 302.462 3.499 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000883417925 626678229 /nfs/dbraw/zinc/67/82/29/626678229.db2.gz RRNBLVCZWFNSEX-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccccc2Br)C1 ZINC000883417925 626678230 /nfs/dbraw/zinc/67/82/30/626678230.db2.gz RRNBLVCZWFNSEX-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000883437626 626682005 /nfs/dbraw/zinc/68/20/05/626682005.db2.gz WZFGFLVGMOXMDF-UPJWGTAASA-N 2 1 322.415 3.039 20 0 DGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439435 626682607 /nfs/dbraw/zinc/68/26/07/626682607.db2.gz RDTFTMSVUKCSPA-QZTJIDSGSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439435 626682608 /nfs/dbraw/zinc/68/26/08/626682608.db2.gz RDTFTMSVUKCSPA-QZTJIDSGSA-N 2 1 302.462 3.371 20 0 DGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883461715 626686432 /nfs/dbraw/zinc/68/64/32/626686432.db2.gz BLQXOHWGJPCLQD-IBGZPJMESA-N 2 1 308.510 3.295 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968937 626963328 /nfs/dbraw/zinc/96/33/28/626963328.db2.gz JOJAUJAKFPNTPH-UXHICEINSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968937 626963331 /nfs/dbraw/zinc/96/33/31/626963331.db2.gz JOJAUJAKFPNTPH-UXHICEINSA-N 2 1 316.489 3.353 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000885916118 627059651 /nfs/dbraw/zinc/05/96/51/627059651.db2.gz OMSLNYAIZWRKES-VQTJNVASSA-N 2 1 316.489 3.372 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000885916118 627059656 /nfs/dbraw/zinc/05/96/56/627059656.db2.gz OMSLNYAIZWRKES-VQTJNVASSA-N 2 1 316.489 3.372 20 0 DGADMP Fc1cccc(/C=C/C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000885983454 627076278 /nfs/dbraw/zinc/07/62/78/627076278.db2.gz HCBFDFAMPKKFAK-XUYKHGSPSA-N 2 1 318.436 3.072 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000886018517 627085481 /nfs/dbraw/zinc/08/54/81/627085481.db2.gz BNSZAIXEOONDKD-MJGOQNOKSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000886018517 627085485 /nfs/dbraw/zinc/08/54/85/627085485.db2.gz BNSZAIXEOONDKD-MJGOQNOKSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000886018517 627085490 /nfs/dbraw/zinc/08/54/90/627085490.db2.gz BNSZAIXEOONDKD-MJGOQNOKSA-N 2 1 304.478 3.113 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000886059940 627096454 /nfs/dbraw/zinc/09/64/54/627096454.db2.gz PLAISBPQLWUWHP-FUHWJXTLSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000886059940 627096458 /nfs/dbraw/zinc/09/64/58/627096458.db2.gz PLAISBPQLWUWHP-FUHWJXTLSA-N 2 1 312.461 3.027 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC000886092432 627101258 /nfs/dbraw/zinc/10/12/58/627101258.db2.gz WSGJROUIECEZIH-RBUKOAKNSA-N 2 1 302.462 3.138 20 0 DGADMP CC[C@H](C[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)C[C@H](CC)OC)CC1)OC ZINC000886389517 627146014 /nfs/dbraw/zinc/14/60/14/627146014.db2.gz MLWFXHOLZHWFOY-VHKIVQRHSA-N 2 1 314.514 3.011 20 0 DGADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@H](CC)OC)CC1)OC ZINC000886389517 627146015 /nfs/dbraw/zinc/14/60/15/627146015.db2.gz MLWFXHOLZHWFOY-VHKIVQRHSA-N 2 1 314.514 3.011 20 0 DGADMP CC[C@H](C[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@H](CC)OC)CC1)OC ZINC000886389517 627146017 /nfs/dbraw/zinc/14/60/17/627146017.db2.gz MLWFXHOLZHWFOY-VHKIVQRHSA-N 2 1 314.514 3.011 20 0 DGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000886523266 627156543 /nfs/dbraw/zinc/15/65/43/627156543.db2.gz ZOCSKPZVILTOGX-UYAOXDASSA-N 2 1 321.468 3.223 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000886523266 627156546 /nfs/dbraw/zinc/15/65/46/627156546.db2.gz ZOCSKPZVILTOGX-UYAOXDASSA-N 2 1 321.468 3.223 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cnn(C)c2)C(C)C)C1 ZINC000886553866 627161833 /nfs/dbraw/zinc/16/18/33/627161833.db2.gz WYFTYYJROVJFQS-FUHWJXTLSA-N 2 1 306.498 3.075 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)[nH+]c1C ZINC000886659935 627182249 /nfs/dbraw/zinc/18/22/49/627182249.db2.gz YYKGGAXAZRJMKN-IXDOHACOSA-N 2 1 303.450 3.164 20 0 DGADMP Cc1nsc(C)c1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660984 627183017 /nfs/dbraw/zinc/18/30/17/627183017.db2.gz JJSXRIAHIFVOBL-UHFFFAOYSA-N 2 1 304.463 3.479 20 0 DGADMP Cc1nc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)[nH]c1C ZINC000886667559 627184697 /nfs/dbraw/zinc/18/46/97/627184697.db2.gz CQPBSEYDQRFDPG-KRWDZBQOSA-N 2 1 304.482 3.080 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000886717974 627197243 /nfs/dbraw/zinc/19/72/43/627197243.db2.gz NFRRINHPFIGZEZ-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP Fc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000886872155 627211800 /nfs/dbraw/zinc/21/18/00/627211800.db2.gz KWJYADQESZDSNC-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876225 627212254 /nfs/dbraw/zinc/21/22/54/627212254.db2.gz YTYPCFPKIFFXDI-AABGKKOBSA-N 2 1 314.473 3.372 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000887134623 627228392 /nfs/dbraw/zinc/22/83/92/627228392.db2.gz MTZKNJLEWNHTIN-SJLPKXTDSA-N 2 1 315.461 3.084 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)CO1 ZINC000924527847 627645138 /nfs/dbraw/zinc/64/51/38/627645138.db2.gz CBBQLBYKVMLFDS-DZIBYMRMSA-N 2 1 314.473 3.198 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000924584858 627652694 /nfs/dbraw/zinc/65/26/94/627652694.db2.gz NTBJCHHTWDPBPO-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000924584410 627652842 /nfs/dbraw/zinc/65/28/42/627652842.db2.gz JOAVTIXJOVHSSA-CRAIPNDOSA-N 2 1 312.461 3.173 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)on1 ZINC000924655867 627663493 /nfs/dbraw/zinc/66/34/93/627663493.db2.gz DVKFOXRJYVRRNX-AWEZNQCLSA-N 2 1 317.433 3.374 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)on1 ZINC000924655867 627663496 /nfs/dbraw/zinc/66/34/96/627663496.db2.gz DVKFOXRJYVRRNX-AWEZNQCLSA-N 2 1 317.433 3.374 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924685230 627667040 /nfs/dbraw/zinc/66/70/40/627667040.db2.gz HHYJDXVAEFROMW-BHIYHBOVSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924689061 627667884 /nfs/dbraw/zinc/66/78/84/627667884.db2.gz WISRHJSSSJDAPS-APWZRJJASA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924689067 627668110 /nfs/dbraw/zinc/66/81/10/627668110.db2.gz WISRHJSSSJDAPS-VQIMIIECSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccnn1CC1CCC1)C[NH+]1CCCC1 ZINC000924715195 627672071 /nfs/dbraw/zinc/67/20/71/627672071.db2.gz KSRYRQFUUKOVEF-CVEARBPZSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccnn1C1CCC1)C[NH+]1CCCCC1 ZINC000924719983 627672758 /nfs/dbraw/zinc/67/27/58/627672758.db2.gz FEJRWCSDOLEPJZ-HZPDHXFCSA-N 2 1 304.482 3.381 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924751190 627676397 /nfs/dbraw/zinc/67/63/97/627676397.db2.gz JYECBOUKMWJPBN-LMMKCTJWSA-N 2 1 301.478 3.114 20 0 DGADMP COCC[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000924789934 627679985 /nfs/dbraw/zinc/67/99/85/627679985.db2.gz ZRUIKDVPTYKXCG-UHFFFAOYSA-N 2 1 320.502 3.010 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000924855150 627687765 /nfs/dbraw/zinc/68/77/65/627687765.db2.gz VTSBLRJZIWNQPS-LMMKCTJWSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000924861531 627688681 /nfs/dbraw/zinc/68/86/81/627688681.db2.gz KNZHMFSHVKJIME-ZDUSSCGKSA-N 2 1 317.433 3.083 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000924958374 627697684 /nfs/dbraw/zinc/69/76/84/627697684.db2.gz JQWADRPPAHKJOH-UXHICEINSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccnn2C2CCC2)C1 ZINC000924961449 627698035 /nfs/dbraw/zinc/69/80/35/627698035.db2.gz VWLUWDDJWWNVIY-CVEARBPZSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2C2CCC2)C1 ZINC000924961449 627698037 /nfs/dbraw/zinc/69/80/37/627698037.db2.gz VWLUWDDJWWNVIY-CVEARBPZSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2C2CCC2)C1 ZINC000924961449 627698038 /nfs/dbraw/zinc/69/80/38/627698038.db2.gz VWLUWDDJWWNVIY-CVEARBPZSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000924958234 627698161 /nfs/dbraw/zinc/69/81/61/627698161.db2.gz DLPMZVXLWZRQDB-GOSISDBHSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000924958234 627698162 /nfs/dbraw/zinc/69/81/62/627698162.db2.gz DLPMZVXLWZRQDB-GOSISDBHSA-N 3 1 309.542 3.207 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000924958234 627698163 /nfs/dbraw/zinc/69/81/63/627698163.db2.gz DLPMZVXLWZRQDB-GOSISDBHSA-N 3 1 309.542 3.207 20 0 DGADMP C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010208 627701062 /nfs/dbraw/zinc/70/10/62/627701062.db2.gz FDGATDNHOQPEQT-RDTXWAMCSA-N 2 1 302.462 3.049 20 0 DGADMP C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010208 627701067 /nfs/dbraw/zinc/70/10/67/627701067.db2.gz FDGATDNHOQPEQT-RDTXWAMCSA-N 2 1 302.462 3.049 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)(C)CO ZINC000925079311 627706848 /nfs/dbraw/zinc/70/68/48/627706848.db2.gz JARQDBBWCZJZLK-HZPDHXFCSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000925135347 627711544 /nfs/dbraw/zinc/71/15/44/627711544.db2.gz VWLRJDQDOGGBJD-ZDUSSCGKSA-N 2 1 301.390 3.051 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccnn1CC1CCC1 ZINC000925220823 627720416 /nfs/dbraw/zinc/72/04/16/627720416.db2.gz JYKNAIAIPJEZEC-UAGQMJEPSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnn1CC1CCC1 ZINC000925220824 627720630 /nfs/dbraw/zinc/72/06/30/627720630.db2.gz JYKNAIAIPJEZEC-USXIJHARSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228048 627721206 /nfs/dbraw/zinc/72/12/06/627721206.db2.gz FWDJMCFBBOSNQW-SOLBZPMBSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228048 627721209 /nfs/dbraw/zinc/72/12/09/627721209.db2.gz FWDJMCFBBOSNQW-SOLBZPMBSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490679 627741676 /nfs/dbraw/zinc/74/16/76/627741676.db2.gz CGCUOZINKJOFIK-OQIJWPOYSA-N 2 1 315.505 3.318 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490679 627741677 /nfs/dbraw/zinc/74/16/77/627741677.db2.gz CGCUOZINKJOFIK-OQIJWPOYSA-N 2 1 315.505 3.318 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000925499884 627743200 /nfs/dbraw/zinc/74/32/00/627743200.db2.gz BGBVCCKXWRPASB-YOEHRIQHSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)[NH2+]2 ZINC000925522752 627747067 /nfs/dbraw/zinc/74/70/67/627747067.db2.gz UAAAZRHHPDODSK-XWPNQZOQSA-N 3 1 319.537 3.150 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)C12CCC2 ZINC000925530580 627748998 /nfs/dbraw/zinc/74/89/98/627748998.db2.gz FGQVMWDNKUXXPS-IAGOWNOFSA-N 2 1 309.413 3.233 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925552970 627752979 /nfs/dbraw/zinc/75/29/79/627752979.db2.gz LWLCWSDHLQOWIT-FJIDUMEYSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000925587712 627759111 /nfs/dbraw/zinc/75/91/11/627759111.db2.gz JDBMLNQGQOZOGM-NEWSRXKRSA-N 2 1 308.510 3.149 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(Br)CC2)C1 ZINC000925588728 627759415 /nfs/dbraw/zinc/75/94/15/627759415.db2.gz STBQDNWKISFMPU-KBPBESRZSA-N 2 1 317.315 3.260 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925591537 627759882 /nfs/dbraw/zinc/75/98/82/627759882.db2.gz QUEVSGFZFYOCIZ-HYVNUMGLSA-N 2 1 324.415 3.197 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCN[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623909 627764121 /nfs/dbraw/zinc/76/41/21/627764121.db2.gz VUNWFUFLUBQCQX-BWPNAZKDSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000925623909 627764126 /nfs/dbraw/zinc/76/41/26/627764126.db2.gz VUNWFUFLUBQCQX-BWPNAZKDSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623909 627764130 /nfs/dbraw/zinc/76/41/30/627764130.db2.gz VUNWFUFLUBQCQX-BWPNAZKDSA-N 3 1 315.505 3.017 20 0 DGADMP Cn1c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)nc2cccc(Cl)c21 ZINC000925646847 627768953 /nfs/dbraw/zinc/76/89/53/627768953.db2.gz WAPKWAFQJQYIMY-RYUDHWBXSA-N 2 1 320.868 3.222 20 0 DGADMP Cn1c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)nc2cccc(Cl)c21 ZINC000925646850 627769000 /nfs/dbraw/zinc/76/90/00/627769000.db2.gz WAPKWAFQJQYIMY-VXGBXAGGSA-N 2 1 320.868 3.222 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000925672786 627774588 /nfs/dbraw/zinc/77/45/88/627774588.db2.gz JPRWNKKCIUWJFU-XHSDSOJGSA-N 2 1 312.461 3.429 20 0 DGADMP C[C@H]([N@H+]1CCc2sc(C[NH3+])nc2C1)C(C)(C)c1ccccc1 ZINC000925747431 627786401 /nfs/dbraw/zinc/78/64/01/627786401.db2.gz HZGDCJULHUUIBK-ZDUSSCGKSA-N 2 1 315.486 3.326 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3C[NH2+]CCC3(F)F)oc21 ZINC000925774998 627793149 /nfs/dbraw/zinc/79/31/49/627793149.db2.gz BPNKUTPVXYNDOX-DGCLKSJQSA-N 2 1 324.371 3.337 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cnc2ccsc2c1 ZINC000925783456 627794773 /nfs/dbraw/zinc/79/47/73/627794773.db2.gz OSOGVFZCSGNUFA-ZYHUDNBSSA-N 2 1 311.401 3.192 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000925785208 627795312 /nfs/dbraw/zinc/79/53/12/627795312.db2.gz LTMQDEAFYOZDIR-CVEARBPZSA-N 3 1 309.542 3.111 20 0 DGADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000925790394 627795761 /nfs/dbraw/zinc/79/57/61/627795761.db2.gz FSBOCBZNCKBRAM-QRVBRYPASA-N 2 1 314.473 3.071 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(Cc2cnn(C)c2Cl)CC1 ZINC000816486361 627796084 /nfs/dbraw/zinc/79/60/84/627796084.db2.gz ZTJIZOBMFMFLPU-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816486361 627796087 /nfs/dbraw/zinc/79/60/87/627796087.db2.gz ZTJIZOBMFMFLPU-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816486361 627796090 /nfs/dbraw/zinc/79/60/90/627796090.db2.gz ZTJIZOBMFMFLPU-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP C1CC[C@@H]2C[C@H]([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)CC[C@H]2C1 ZINC000925796616 627797383 /nfs/dbraw/zinc/79/73/83/627797383.db2.gz SGOMPXKKTJZCKT-BRSBDYLESA-N 2 1 306.494 3.094 20 0 DGADMP C1CCC2(C1)CCCC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925801734 627797435 /nfs/dbraw/zinc/79/74/35/627797435.db2.gz YOVAIZPTHFPGIZ-IAGOWNOFSA-N 2 1 306.494 3.238 20 0 DGADMP C[C@H]([NH3+])[C@H](NCCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809771 627798220 /nfs/dbraw/zinc/79/82/20/627798220.db2.gz WNLJCBDFEIAOLD-LPHOPBHVSA-N 2 1 303.494 3.225 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809771 627798223 /nfs/dbraw/zinc/79/82/23/627798223.db2.gz WNLJCBDFEIAOLD-LPHOPBHVSA-N 3 1 303.494 3.225 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])o1 ZINC000925838229 627803540 /nfs/dbraw/zinc/80/35/40/627803540.db2.gz KPDGLSQCYWSPNQ-FZKQIMNGSA-N 2 1 309.413 3.357 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CCCO2 ZINC000925840907 627804400 /nfs/dbraw/zinc/80/44/00/627804400.db2.gz DFYNHHPEFIRZND-CGTJXYLNSA-N 2 1 304.409 3.161 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc4c3OCC4)CC[NH2+]2)cc1 ZINC000925873724 627809787 /nfs/dbraw/zinc/80/97/87/627809787.db2.gz CUKSFWKHDDMJSD-MOPGFXCFSA-N 2 1 308.425 3.204 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)oc21 ZINC000816642251 627818478 /nfs/dbraw/zinc/81/84/78/627818478.db2.gz UTIYWPBISISCJL-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)oc21 ZINC000816642251 627818483 /nfs/dbraw/zinc/81/84/83/627818483.db2.gz UTIYWPBISISCJL-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)oc21 ZINC000816642251 627818485 /nfs/dbraw/zinc/81/84/85/627818485.db2.gz UTIYWPBISISCJL-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)oc21 ZINC000816642251 627818487 /nfs/dbraw/zinc/81/84/87/627818487.db2.gz UTIYWPBISISCJL-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000926118752 627847007 /nfs/dbraw/zinc/84/70/07/627847007.db2.gz BTRNAJCMBFBEPM-CUDHKJQZSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118752 627847013 /nfs/dbraw/zinc/84/70/13/627847013.db2.gz BTRNAJCMBFBEPM-CUDHKJQZSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118752 627847017 /nfs/dbraw/zinc/84/70/17/627847017.db2.gz BTRNAJCMBFBEPM-CUDHKJQZSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118752 627847021 /nfs/dbraw/zinc/84/70/21/627847021.db2.gz BTRNAJCMBFBEPM-CUDHKJQZSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118752 627847027 /nfs/dbraw/zinc/84/70/27/627847027.db2.gz BTRNAJCMBFBEPM-CUDHKJQZSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@@H](O)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926124895 627847778 /nfs/dbraw/zinc/84/77/78/627847778.db2.gz HGKFRZMSALEVPB-GYMWCJPTSA-N 2 1 316.489 3.321 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000926289101 627874744 /nfs/dbraw/zinc/87/47/44/627874744.db2.gz ZRNAGFWFRKKJLO-FUHWJXTLSA-N 2 1 302.462 3.073 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)C1CC1 ZINC000926559395 627914350 /nfs/dbraw/zinc/91/43/50/627914350.db2.gz NDAVZWDWSFXGHS-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000926573738 627916595 /nfs/dbraw/zinc/91/65/95/627916595.db2.gz PAZBAGAANZLQNH-CJNGLKHVSA-N 2 1 308.853 3.233 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000926709424 627937421 /nfs/dbraw/zinc/93/74/21/627937421.db2.gz BVIYPRVHZXPNTQ-UHFFFAOYSA-N 2 1 318.509 3.288 20 0 DGADMP CC1(C)CC2(CC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)CO1 ZINC000926737737 627943754 /nfs/dbraw/zinc/94/37/54/627943754.db2.gz GVYZGGNFRYLUJM-MUYFXNHWSA-N 2 1 306.494 3.046 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926754595 627947479 /nfs/dbraw/zinc/94/74/79/627947479.db2.gz PRDGPNULOACMBD-AOIWGVFYSA-N 2 1 301.478 3.114 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894285 627954520 /nfs/dbraw/zinc/95/45/20/627954520.db2.gz LDHSLFWTUUCYGT-OKZBNKHCSA-N 2 1 304.478 3.138 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817902392 627956915 /nfs/dbraw/zinc/95/69/15/627956915.db2.gz PCHKTYTZSFJOJE-QFBILLFUSA-N 2 1 311.473 3.191 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)c2ccccc21 ZINC000817917638 627961144 /nfs/dbraw/zinc/96/11/44/627961144.db2.gz QMUSVBWYXUFHSH-GUDVDZBRSA-N 2 1 308.425 3.235 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC000817922559 627962574 /nfs/dbraw/zinc/96/25/74/627962574.db2.gz YSCHMZFPJCLURR-JCURWCKSSA-N 2 1 315.486 3.377 20 0 DGADMP CC[NH2+]CC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000817952845 627973504 /nfs/dbraw/zinc/97/35/04/627973504.db2.gz VFVUEVZZYFVDLW-UHFFFAOYSA-N 2 1 304.478 3.139 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])ccc1SC(F)F ZINC000817978025 627981346 /nfs/dbraw/zinc/98/13/46/627981346.db2.gz UDELQNUZFCOMEC-AEJSXWLSSA-N 2 1 304.406 3.396 20 0 DGADMP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000817977778 627981774 /nfs/dbraw/zinc/98/17/74/627981774.db2.gz OTAPXKJBHCDWCQ-BARDWOONSA-N 2 1 310.413 3.186 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Br)nc1 ZINC000817981417 627982420 /nfs/dbraw/zinc/98/24/20/627982420.db2.gz JBCVLMKMKCACMU-ZWNOBZJWSA-N 2 1 312.255 3.012 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)nc(Cl)c1)CC[NH2+]CC2 ZINC000818340360 628015791 /nfs/dbraw/zinc/01/57/91/628015791.db2.gz LFDQKLUVTJRGJR-LLVKDONJSA-N 2 1 314.260 3.352 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C3([C@H]4CCCCO4)CC3)CC2)cc1 ZINC000927163670 628030018 /nfs/dbraw/zinc/03/00/18/628030018.db2.gz NBKGNYWZZPLSSE-LJQANCHMSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000818616205 628043712 /nfs/dbraw/zinc/04/37/12/628043712.db2.gz VEDGSBAWIIWKOF-BZHVJNSISA-N 2 1 302.249 3.496 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000818959273 628067137 /nfs/dbraw/zinc/06/71/37/628067137.db2.gz HCFZPCQXOZAFCJ-KXBFYZLASA-N 2 1 322.468 3.269 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000818960079 628067334 /nfs/dbraw/zinc/06/73/34/628067334.db2.gz XHZNICKLAYDWSX-IEBWSBKVSA-N 2 1 304.478 3.273 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc2ccccc21 ZINC000818959315 628067620 /nfs/dbraw/zinc/06/76/20/628067620.db2.gz HYZABLAWQHPUKB-AQNXPRMDSA-N 2 1 310.441 3.090 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc2ccccc21 ZINC000818959315 628067623 /nfs/dbraw/zinc/06/76/23/628067623.db2.gz HYZABLAWQHPUKB-AQNXPRMDSA-N 2 1 310.441 3.090 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000818959235 628067645 /nfs/dbraw/zinc/06/76/45/628067645.db2.gz GBVQFOQEPQDYQC-QFBILLFUSA-N 2 1 322.468 3.412 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000818959211 628067651 /nfs/dbraw/zinc/06/76/51/628067651.db2.gz FSGGDMZAIUWHLZ-QFBILLFUSA-N 2 1 304.478 3.130 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc2ccccc21 ZINC000818962964 628068667 /nfs/dbraw/zinc/06/86/67/628068667.db2.gz CENRIQTYFJLCBL-ZWOKBUDYSA-N 2 1 310.441 3.090 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000818965150 628068731 /nfs/dbraw/zinc/06/87/31/628068731.db2.gz FJSIKDNYUFYVGQ-QRWLVFNGSA-N 2 1 323.440 3.304 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@@H](O)C1CC1)C1CCCCC1 ZINC000818970385 628069526 /nfs/dbraw/zinc/06/95/26/628069526.db2.gz OGKXKNVDRTURHH-HXUWFJFHSA-N 2 1 316.489 3.312 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000818970980 628069675 /nfs/dbraw/zinc/06/96/75/628069675.db2.gz RDZGDDRVUKQYRG-HXUWFJFHSA-N 2 1 312.457 3.270 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000818971377 628070201 /nfs/dbraw/zinc/07/02/01/628070201.db2.gz VGKZDJBMHXJFFF-IBGZPJMESA-N 2 1 316.420 3.101 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819285248 628127070 /nfs/dbraw/zinc/12/70/70/628127070.db2.gz ZMTSYHSJZBFXEQ-PMACEKPBSA-N 2 1 318.505 3.285 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000820836075 628303295 /nfs/dbraw/zinc/30/32/95/628303295.db2.gz JRHXSFFNJHSJCE-XOKDBXHWSA-N 2 1 316.489 3.082 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000825325755 628749935 /nfs/dbraw/zinc/74/99/35/628749935.db2.gz ILASCHJDESOACT-UONOGXRCSA-N 2 1 324.852 3.089 20 0 DGADMP Cc1cc(C[NH2+]CC(C)(C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000841030340 630398366 /nfs/dbraw/zinc/39/83/66/630398366.db2.gz FGMOHENQEFOXKJ-UHFFFAOYSA-N 2 1 313.445 3.104 20 0 DGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000841078108 630404920 /nfs/dbraw/zinc/40/49/20/630404920.db2.gz GGHYYNKIOZNGRT-KBPBESRZSA-N 2 1 302.393 3.230 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCc2ccccc2F)cc1 ZINC000842472066 630538929 /nfs/dbraw/zinc/53/89/29/630538929.db2.gz OYRNLNPZRIXWTL-KRWDZBQOSA-N 2 1 316.420 3.051 20 0 DGADMP Clc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc(Cl)n1 ZINC000842473367 630539348 /nfs/dbraw/zinc/53/93/48/630539348.db2.gz ZUOPQKQEBXSTHB-CYBMUJFWSA-N 2 1 314.260 3.352 20 0 DGADMP Cc1ccccc1-n1cc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000842673679 630561530 /nfs/dbraw/zinc/56/15/30/630561530.db2.gz PMEBHCMLAWTNRW-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000842673679 630561533 /nfs/dbraw/zinc/56/15/33/630561533.db2.gz PMEBHCMLAWTNRW-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000842673679 630561537 /nfs/dbraw/zinc/56/15/37/630561537.db2.gz PMEBHCMLAWTNRW-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000842686983 630563121 /nfs/dbraw/zinc/56/31/21/630563121.db2.gz MYMNACJDAGWKCV-ZWKOTPCHSA-N 2 1 312.461 3.143 20 0 DGADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CO1 ZINC000842692850 630564353 /nfs/dbraw/zinc/56/43/53/630564353.db2.gz RGIIWNBGQOVTMM-QAPCUYQASA-N 2 1 317.477 3.054 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000842706929 630565963 /nfs/dbraw/zinc/56/59/63/630565963.db2.gz HKNZCPODDOJRAS-VAKYOOAGSA-N 2 1 314.473 3.339 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000842762725 630573489 /nfs/dbraw/zinc/57/34/89/630573489.db2.gz IOMLAHGDIZGXRC-LMCOJAPRSA-N 2 1 316.489 3.127 20 0 DGADMP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000843045624 630608045 /nfs/dbraw/zinc/60/80/45/630608045.db2.gz KGWSOKZKZXUAKF-UHFFFAOYSA-N 2 1 304.381 3.482 20 0 DGADMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000843045624 630608046 /nfs/dbraw/zinc/60/80/46/630608046.db2.gz KGWSOKZKZXUAKF-UHFFFAOYSA-N 2 1 304.381 3.482 20 0 DGADMP C[C@]1(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]C1 ZINC000843119585 630615631 /nfs/dbraw/zinc/61/56/31/630615631.db2.gz UESDYEDOPUVEJT-HOCLYGCPSA-N 2 1 312.379 3.494 20 0 DGADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000843358245 630649321 /nfs/dbraw/zinc/64/93/21/630649321.db2.gz IPSUIRUTFPKIER-VQTJNVASSA-N 2 1 316.489 3.354 20 0 DGADMP Brc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000843358872 630649560 /nfs/dbraw/zinc/64/95/60/630649560.db2.gz YKVIPVWODVTIJA-ZBFHGGJFSA-N 2 1 323.278 3.066 20 0 DGADMP Clc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000843385553 630651544 /nfs/dbraw/zinc/65/15/44/630651544.db2.gz OZALMCJJDSRDGT-ZDUSSCGKSA-N 2 1 314.260 3.210 20 0 DGADMP Clc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000843385551 630651717 /nfs/dbraw/zinc/65/17/17/630651717.db2.gz OZALMCJJDSRDGT-CYBMUJFWSA-N 2 1 314.260 3.210 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCCC[NH3+])C1 ZINC000844222099 630712989 /nfs/dbraw/zinc/71/29/89/630712989.db2.gz UIIGKCJNPKFUAC-MOPGFXCFSA-N 2 1 309.542 3.482 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000844222099 630712990 /nfs/dbraw/zinc/71/29/90/630712990.db2.gz UIIGKCJNPKFUAC-MOPGFXCFSA-N 2 1 309.542 3.482 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844222099 630712991 /nfs/dbraw/zinc/71/29/91/630712991.db2.gz UIIGKCJNPKFUAC-MOPGFXCFSA-N 3 1 309.542 3.482 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)[C@H]2CCC[C@H]21 ZINC000846214696 631215121 /nfs/dbraw/zinc/21/51/21/631215121.db2.gz LUMKNKWEPSYEJF-YIYPIFLZSA-N 2 1 305.293 3.423 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848599234 631704992 /nfs/dbraw/zinc/70/49/92/631704992.db2.gz FECUDNLVJLVPMA-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848599234 631704997 /nfs/dbraw/zinc/70/49/97/631704997.db2.gz FECUDNLVJLVPMA-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H](NC(=[NH2+])NC[C@@H](C)[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000848996608 631801054 /nfs/dbraw/zinc/80/10/54/631801054.db2.gz KISTVPJCGHMIRH-NXEZZACHSA-N 2 1 317.264 3.118 20 0 DGADMP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000848996328 631801189 /nfs/dbraw/zinc/80/11/89/631801189.db2.gz POFQYPFKWZEYDV-OAHLLOKOSA-N 2 1 302.466 3.477 20 0 DGADMP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC000849023033 631809248 /nfs/dbraw/zinc/80/92/48/631809248.db2.gz GXPYBAKIWKDECF-KRWDZBQOSA-N 2 1 300.450 3.257 20 0 DGADMP CC(C)Oc1ccc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000849041205 631815508 /nfs/dbraw/zinc/81/55/08/631815508.db2.gz NGGPLBPJGVKMPV-HNNXBMFYSA-N 2 1 318.465 3.142 20 0 DGADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000849041523 631815834 /nfs/dbraw/zinc/81/58/34/631815834.db2.gz ROQQANFLWJDIGH-OAHLLOKOSA-N 2 1 314.477 3.234 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000849349785 631900218 /nfs/dbraw/zinc/90/02/18/631900218.db2.gz IXZRTLLWRLPRMG-ZWQIFLOQSA-N 2 1 320.452 3.066 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000849349607 631900338 /nfs/dbraw/zinc/90/03/38/631900338.db2.gz CJZPZOUDBYQXPY-JEDBISTDSA-N 2 1 320.452 3.066 20 0 DGADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850343930 632119531 /nfs/dbraw/zinc/11/95/31/632119531.db2.gz YAKGHKIPVBIBEQ-HNNXBMFYSA-N 2 1 321.465 3.455 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000850514457 632176524 /nfs/dbraw/zinc/17/65/24/632176524.db2.gz FWYNESNEUBBFOW-TUFLPTIASA-N 2 1 324.468 3.336 20 0 DGADMP C[C@@H]([NH2+]CC1SCCS1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850560549 632193716 /nfs/dbraw/zinc/19/37/16/632193716.db2.gz LQEXKINPUAAMGY-GDBMZVCRSA-N 2 1 322.543 3.293 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850575378 632200208 /nfs/dbraw/zinc/20/02/08/632200208.db2.gz VALCVUZFUOCOQK-SJORKVTESA-N 2 1 310.869 3.082 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCOC(F)F)CCN1Cc1ccccc1 ZINC000851804061 632498507 /nfs/dbraw/zinc/49/85/07/632498507.db2.gz XQXIJZLIJLBMFE-GOEBONIOSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000851804061 632498510 /nfs/dbraw/zinc/49/85/10/632498510.db2.gz XQXIJZLIJLBMFE-GOEBONIOSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000851804061 632498513 /nfs/dbraw/zinc/49/85/13/632498513.db2.gz XQXIJZLIJLBMFE-GOEBONIOSA-N 2 1 312.404 3.211 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000852040527 632543645 /nfs/dbraw/zinc/54/36/45/632543645.db2.gz LVIBTAXAGDRKBI-XUVXKRRUSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040527 632543648 /nfs/dbraw/zinc/54/36/48/632543648.db2.gz LVIBTAXAGDRKBI-XUVXKRRUSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040527 632543649 /nfs/dbraw/zinc/54/36/49/632543649.db2.gz LVIBTAXAGDRKBI-XUVXKRRUSA-N 2 1 314.473 3.152 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185279476 660213033 /nfs/dbraw/zinc/21/30/33/660213033.db2.gz SWVVXRZDIPUICZ-ZDUSSCGKSA-N 2 1 311.813 3.070 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185279476 660213034 /nfs/dbraw/zinc/21/30/34/660213034.db2.gz SWVVXRZDIPUICZ-ZDUSSCGKSA-N 2 1 311.813 3.070 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185295272 660213436 /nfs/dbraw/zinc/21/34/36/660213436.db2.gz CTMIJPRPRQBGOL-UHFFFAOYSA-N 2 1 322.796 3.323 20 0 DGADMP C[N@H+](CCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000083033470 660247890 /nfs/dbraw/zinc/24/78/90/660247890.db2.gz KIPRXZQWZHEEKN-UHFFFAOYSA-N 2 1 324.428 3.109 20 0 DGADMP C[N@@H+](CCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000083033470 660247892 /nfs/dbraw/zinc/24/78/92/660247892.db2.gz KIPRXZQWZHEEKN-UHFFFAOYSA-N 2 1 324.428 3.109 20 0 DGADMP CSC1CC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000706806387 660873326 /nfs/dbraw/zinc/87/33/26/660873326.db2.gz WKLNEWMNWXOAEG-DVHLICQRSA-N 2 1 304.503 3.381 20 0 DGADMP CSC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000706888631 660879725 /nfs/dbraw/zinc/87/97/25/660879725.db2.gz OYORTISAQKQZOI-AGERRDQYSA-N 2 1 304.503 3.381 20 0 DGADMP CSC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000706888631 660879726 /nfs/dbraw/zinc/87/97/26/660879726.db2.gz OYORTISAQKQZOI-AGERRDQYSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCc2cccnc21 ZINC000708554272 660923826 /nfs/dbraw/zinc/92/38/26/660923826.db2.gz WYAPGGGRWYEPRZ-NSISKUIASA-N 2 1 321.468 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCc2cccnc21 ZINC000708554272 660923828 /nfs/dbraw/zinc/92/38/28/660923828.db2.gz WYAPGGGRWYEPRZ-NSISKUIASA-N 2 1 321.468 3.427 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)oc21 ZINC000093597307 655581518 /nfs/dbraw/zinc/58/15/18/655581518.db2.gz ISPIPLYNCYOVJB-OAHLLOKOSA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)oc21 ZINC000093597307 655581519 /nfs/dbraw/zinc/58/15/19/655581519.db2.gz ISPIPLYNCYOVJB-OAHLLOKOSA-N 2 1 314.429 3.359 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779485 661337748 /nfs/dbraw/zinc/33/77/48/661337748.db2.gz ADVRLQAECYCZQD-JKSUJKDBSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779485 661337750 /nfs/dbraw/zinc/33/77/50/661337750.db2.gz ADVRLQAECYCZQD-JKSUJKDBSA-N 2 1 324.509 3.303 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000121906344 655793787 /nfs/dbraw/zinc/79/37/87/655793787.db2.gz FEVZWGFTEDNRJI-CEXWTWQISA-N 2 1 321.553 3.209 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000161421372 655796234 /nfs/dbraw/zinc/79/62/34/655796234.db2.gz PYUPBXNPDOFNGV-GMXABZIVSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000161421372 655796235 /nfs/dbraw/zinc/79/62/35/655796235.db2.gz PYUPBXNPDOFNGV-GMXABZIVSA-N 2 1 317.260 3.099 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000309730324 655879670 /nfs/dbraw/zinc/87/96/70/655879670.db2.gz OSUHRIKPOZYZJM-HKUYNNGSSA-N 2 1 307.441 3.181 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000309730324 655879672 /nfs/dbraw/zinc/87/96/72/655879672.db2.gz OSUHRIKPOZYZJM-HKUYNNGSSA-N 2 1 307.441 3.181 20 0 DGADMP C1CC([C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]2CCOC2)C1 ZINC000926706515 655934589 /nfs/dbraw/zinc/93/45/89/655934589.db2.gz HWDYSNCDZKUOSV-LNLFQRSKSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC([C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]2CCOC2)C1 ZINC000926706515 655934590 /nfs/dbraw/zinc/93/45/90/655934590.db2.gz HWDYSNCDZKUOSV-LNLFQRSKSA-N 2 1 306.494 3.188 20 0 DGADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)C2)CO1 ZINC000926707911 655935430 /nfs/dbraw/zinc/93/54/30/655935430.db2.gz WRGNWNSJMVRDBZ-LYGPFTKASA-N 2 1 306.494 3.331 20 0 DGADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)C2)CO1 ZINC000926707911 655935431 /nfs/dbraw/zinc/93/54/31/655935431.db2.gz WRGNWNSJMVRDBZ-LYGPFTKASA-N 2 1 306.494 3.331 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000715471778 661211111 /nfs/dbraw/zinc/21/11/11/661211111.db2.gz WCJNFSKQYYGPSL-WOJBJXKFSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310023886 656133111 /nfs/dbraw/zinc/13/31/11/656133111.db2.gz SXOMJUHRMVNPIJ-PKOBYXMFSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000310023886 656133113 /nfs/dbraw/zinc/13/31/13/656133113.db2.gz SXOMJUHRMVNPIJ-PKOBYXMFSA-N 2 1 303.494 3.006 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000061016461 656842056 /nfs/dbraw/zinc/84/20/56/656842056.db2.gz YMIDSTNKWZUPSY-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP COC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319130684 656907754 /nfs/dbraw/zinc/90/77/54/656907754.db2.gz FPWOWFRFMMMQGZ-LJQANCHMSA-N 2 1 316.489 3.447 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261597597 656923115 /nfs/dbraw/zinc/92/31/15/656923115.db2.gz AQAKLUCWVSGJOV-CQSZACIVSA-N 2 1 316.392 3.484 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261597597 656923119 /nfs/dbraw/zinc/92/31/19/656923119.db2.gz AQAKLUCWVSGJOV-CQSZACIVSA-N 2 1 316.392 3.484 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028253894 656945925 /nfs/dbraw/zinc/94/59/25/656945925.db2.gz IVKASYMEHSVZRF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028253894 656945930 /nfs/dbraw/zinc/94/59/30/656945930.db2.gz IVKASYMEHSVZRF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028253894 656945932 /nfs/dbraw/zinc/94/59/32/656945932.db2.gz IVKASYMEHSVZRF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697466 657144508 /nfs/dbraw/zinc/14/45/08/657144508.db2.gz SHKAWTNWVCNSRH-ZBFHGGJFSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697466 657144518 /nfs/dbraw/zinc/14/45/18/657144518.db2.gz SHKAWTNWVCNSRH-ZBFHGGJFSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697466 657144521 /nfs/dbraw/zinc/14/45/21/657144521.db2.gz SHKAWTNWVCNSRH-ZBFHGGJFSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697466 657144524 /nfs/dbraw/zinc/14/45/24/657144524.db2.gz SHKAWTNWVCNSRH-ZBFHGGJFSA-N 2 1 315.848 3.272 20 0 DGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000262023460 657291932 /nfs/dbraw/zinc/29/19/32/657291932.db2.gz WKOPSXXXOYKNAU-AWEZNQCLSA-N 2 1 307.507 3.405 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[NH+](C)C ZINC000421819787 658224875 /nfs/dbraw/zinc/22/48/75/658224875.db2.gz IZYXPBLQYMJBCA-PKOBYXMFSA-N 2 1 303.494 3.285 20 0 DGADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c(Br)c1 ZINC000164124459 658919415 /nfs/dbraw/zinc/91/94/15/658919415.db2.gz HVJIWAWRMANHEO-UHFFFAOYSA-N 2 1 311.267 3.459 20 0 DGADMP C#CCOc1ccccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000061556904 659276309 /nfs/dbraw/zinc/27/63/09/659276309.db2.gz LNJYCZYFDRGRQJ-UHFFFAOYSA-N 2 1 322.452 3.310 20 0 DGADMP C#CCOc1ccccc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000061556904 659276315 /nfs/dbraw/zinc/27/63/15/659276315.db2.gz LNJYCZYFDRGRQJ-UHFFFAOYSA-N 2 1 322.452 3.310 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862708 659350346 /nfs/dbraw/zinc/35/03/46/659350346.db2.gz GEGWWXFUYIIEMZ-CYBMUJFWSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862708 659350353 /nfs/dbraw/zinc/35/03/53/659350353.db2.gz GEGWWXFUYIIEMZ-CYBMUJFWSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+](CCc1ccns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929755686 659555402 /nfs/dbraw/zinc/55/54/02/659555402.db2.gz WQDBOESKASSXFW-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[N@@H+](CCc1ccns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929755686 659555405 /nfs/dbraw/zinc/55/54/05/659555405.db2.gz WQDBOESKASSXFW-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1ccns1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929755686 659555406 /nfs/dbraw/zinc/55/54/06/659555406.db2.gz WQDBOESKASSXFW-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1ccns1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929755686 659555411 /nfs/dbraw/zinc/55/54/11/659555411.db2.gz WQDBOESKASSXFW-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP COC/C(C)=C\C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000929485937 661311876 /nfs/dbraw/zinc/31/18/76/661311876.db2.gz QAHOJNCHPUXULH-NVMNQCDNSA-N 2 1 316.489 3.423 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)[nH+]1 ZINC000929508865 661313870 /nfs/dbraw/zinc/31/38/70/661313870.db2.gz GWEMWVJZYMQLHG-KRWDZBQOSA-N 2 1 304.482 3.115 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CCN1C ZINC000929779485 661337741 /nfs/dbraw/zinc/33/77/41/661337741.db2.gz ADVRLQAECYCZQD-JKSUJKDBSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929779485 661337744 /nfs/dbraw/zinc/33/77/44/661337744.db2.gz ADVRLQAECYCZQD-JKSUJKDBSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929779485 661337745 /nfs/dbraw/zinc/33/77/45/661337745.db2.gz ADVRLQAECYCZQD-JKSUJKDBSA-N 2 1 324.509 3.303 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)[nH]1 ZINC000929806595 661340203 /nfs/dbraw/zinc/34/02/03/661340203.db2.gz LDWPVMBLCUGXHP-SFHVURJKSA-N 2 1 313.445 3.250 20 0 DGADMP COC[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000930267022 661383490 /nfs/dbraw/zinc/38/34/90/661383490.db2.gz PHFFAVDDJNJULQ-KRWDZBQOSA-N 2 1 319.493 3.317 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCOC4CC4)C3)CC2)cc1 ZINC000930563460 661411185 /nfs/dbraw/zinc/41/11/85/661411185.db2.gz DMCOHLQOQOINCW-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000930601859 661414472 /nfs/dbraw/zinc/41/44/72/661414472.db2.gz KRBQXBCKAGPQLD-KURKYZTESA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1C[C@@]2(C)C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC000931316142 661466146 /nfs/dbraw/zinc/46/61/46/661466146.db2.gz GLGUODMMPROXFE-BDXSIMOUSA-N 2 1 320.427 3.309 20 0 DGADMP C[C@H](CC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314892 661466335 /nfs/dbraw/zinc/46/63/35/661466335.db2.gz RNILWMWUGTZRSM-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314892 661466339 /nfs/dbraw/zinc/46/63/39/661466339.db2.gz RNILWMWUGTZRSM-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314892 661466341 /nfs/dbraw/zinc/46/63/41/661466341.db2.gz RNILWMWUGTZRSM-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314892 661466344 /nfs/dbraw/zinc/46/63/44/661466344.db2.gz RNILWMWUGTZRSM-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314892 661466346 /nfs/dbraw/zinc/46/63/46/661466346.db2.gz RNILWMWUGTZRSM-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931375805 661472346 /nfs/dbraw/zinc/47/23/46/661472346.db2.gz LPJIJTANNFQCRU-HNNXBMFYSA-N 2 1 323.444 3.109 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931375805 661472347 /nfs/dbraw/zinc/47/23/47/661472347.db2.gz LPJIJTANNFQCRU-HNNXBMFYSA-N 2 1 323.444 3.109 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC[C@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442445 661476912 /nfs/dbraw/zinc/47/69/12/661476912.db2.gz HNKILVMTXBSYKH-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442445 661476914 /nfs/dbraw/zinc/47/69/14/661476914.db2.gz HNKILVMTXBSYKH-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442445 661476915 /nfs/dbraw/zinc/47/69/15/661476915.db2.gz HNKILVMTXBSYKH-IYWMVGAKSA-N 2 1 314.473 3.180 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CCCc2cccnc2)CC1 ZINC000931465491 661479127 /nfs/dbraw/zinc/47/91/27/661479127.db2.gz QQDVPHVJRRYCCG-UHFFFAOYSA-N 2 1 301.478 3.355 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547851 661487227 /nfs/dbraw/zinc/48/72/27/661487227.db2.gz UIMMHIOFDKPPST-KZNAEPCWSA-N 2 1 306.494 3.284 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547851 661487229 /nfs/dbraw/zinc/48/72/29/661487229.db2.gz UIMMHIOFDKPPST-KZNAEPCWSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547851 661487231 /nfs/dbraw/zinc/48/72/31/661487231.db2.gz UIMMHIOFDKPPST-KZNAEPCWSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547851 661487233 /nfs/dbraw/zinc/48/72/33/661487233.db2.gz UIMMHIOFDKPPST-KZNAEPCWSA-N 2 1 306.494 3.284 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932189640 661546331 /nfs/dbraw/zinc/54/63/31/661546331.db2.gz CYRHQZOXQSUBKZ-CQSZACIVSA-N 2 1 316.474 3.016 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932189640 661546335 /nfs/dbraw/zinc/54/63/35/661546335.db2.gz CYRHQZOXQSUBKZ-CQSZACIVSA-N 2 1 316.474 3.016 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191207 661546882 /nfs/dbraw/zinc/54/68/82/661546882.db2.gz KXZPEJNBDXFZPJ-HUUCEWRRSA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191207 661546884 /nfs/dbraw/zinc/54/68/84/661546884.db2.gz KXZPEJNBDXFZPJ-HUUCEWRRSA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191207 661546885 /nfs/dbraw/zinc/54/68/85/661546885.db2.gz KXZPEJNBDXFZPJ-HUUCEWRRSA-N 2 1 319.518 3.296 20 0 DGADMP CC(C)OCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933546084 661640021 /nfs/dbraw/zinc/64/00/21/661640021.db2.gz ALBSIONSWCGHQY-UHFFFAOYSA-N 2 1 316.489 3.499 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC000935581315 661794675 /nfs/dbraw/zinc/79/46/75/661794675.db2.gz MQVUPWFSFRMOSD-GOSISDBHSA-N 2 1 317.477 3.340 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000188067578 661914047 /nfs/dbraw/zinc/91/40/47/661914047.db2.gz AEQLFCRFVXDBHW-OLZOCXBDSA-N 2 1 311.813 3.211 20 0 DGADMP c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000078974095 662093353 /nfs/dbraw/zinc/09/33/53/662093353.db2.gz LTISOUGZWPHBQU-WOJBJXKFSA-N 2 1 313.489 3.393 20 0 DGADMP c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000078974095 662093354 /nfs/dbraw/zinc/09/33/54/662093354.db2.gz LTISOUGZWPHBQU-WOJBJXKFSA-N 2 1 313.489 3.393 20 0 DGADMP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000245834478 662242356 /nfs/dbraw/zinc/24/23/56/662242356.db2.gz BMVKBHCCTZFHPW-ICSRJNTNSA-N 2 1 316.489 3.308 20 0 DGADMP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000245834478 662242358 /nfs/dbraw/zinc/24/23/58/662242358.db2.gz BMVKBHCCTZFHPW-ICSRJNTNSA-N 2 1 316.489 3.308 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340458 662312098 /nfs/dbraw/zinc/31/20/98/662312098.db2.gz FZWMONLTLPVGQL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340458 662312099 /nfs/dbraw/zinc/31/20/99/662312099.db2.gz FZWMONLTLPVGQL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340458 662312101 /nfs/dbraw/zinc/31/21/01/662312101.db2.gz FZWMONLTLPVGQL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340458 662312104 /nfs/dbraw/zinc/31/21/04/662312104.db2.gz FZWMONLTLPVGQL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340458 662312105 /nfs/dbraw/zinc/31/21/05/662312105.db2.gz FZWMONLTLPVGQL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000248144425 662335337 /nfs/dbraw/zinc/33/53/37/662335337.db2.gz PYUPBXNPDOFNGV-IFUGULHKSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000248144425 662335338 /nfs/dbraw/zinc/33/53/38/662335338.db2.gz PYUPBXNPDOFNGV-IFUGULHKSA-N 2 1 317.260 3.099 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770160 662359966 /nfs/dbraw/zinc/35/99/66/662359966.db2.gz NGCLNJIBXCONSC-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770160 662359968 /nfs/dbraw/zinc/35/99/68/662359968.db2.gz NGCLNJIBXCONSC-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770160 662359971 /nfs/dbraw/zinc/35/99/71/662359971.db2.gz NGCLNJIBXCONSC-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770160 662359973 /nfs/dbraw/zinc/35/99/73/662359973.db2.gz NGCLNJIBXCONSC-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCOC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380930111 685154103 /nfs/dbraw/zinc/15/41/03/685154103.db2.gz FSXNDZUTAZCZPM-UYAOXDASSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381888722 685161086 /nfs/dbraw/zinc/16/10/86/685161086.db2.gz QXWYQPFWORWKPQ-UHOSZYNNSA-N 2 1 300.446 3.179 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000389953020 685198034 /nfs/dbraw/zinc/19/80/34/685198034.db2.gz VAECTHIEVWJRPT-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000389953020 685198043 /nfs/dbraw/zinc/19/80/43/685198043.db2.gz VAECTHIEVWJRPT-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389960323 685198439 /nfs/dbraw/zinc/19/84/39/685198439.db2.gz ZCVDXGVXODHRAL-BPIHKTFHSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc(Cl)c(F)c2)C[C@H]1C[NH3+] ZINC001576599574 1191850472 /nfs/dbraw/zinc/85/04/72/1191850472.db2.gz TYRFRFPURPWSLN-FRRDWIJNSA-N 2 1 314.832 3.163 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(OC(C)(C)C)n1)CC[NH2+]CC2 ZINC001576638348 1191857686 /nfs/dbraw/zinc/85/76/86/1191857686.db2.gz PVJAGVFWWZJNNA-HNNXBMFYSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1C[NH3+] ZINC001576809172 1191869948 /nfs/dbraw/zinc/86/99/48/1191869948.db2.gz OQTVYYKIRIPBKQ-PXNSSMCTSA-N 3 1 315.505 3.089 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC2(CCCCC2)O1 ZINC001576808512 1191870420 /nfs/dbraw/zinc/87/04/20/1191870420.db2.gz DKIMTBSKZPVNMJ-MRXNPFEDSA-N 2 1 314.473 3.256 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001576798124 1191870538 /nfs/dbraw/zinc/87/05/38/1191870538.db2.gz MVWAURUCMQZFJP-ZIAGYGMSSA-N 2 1 308.853 3.244 20 0 DGADMP C/C=C/C[C@@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC001576914412 1191875401 /nfs/dbraw/zinc/87/54/01/1191875401.db2.gz KELVJRZRAUWOEI-SCQSPADBSA-N 2 1 302.462 3.416 20 0 DGADMP BrC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001660126852 1196448788 /nfs/dbraw/zinc/44/87/88/1196448788.db2.gz FTCPYSAWEAFNJJ-UHFFFAOYSA-N 2 1 323.278 3.168 20 0 DGADMP CCC1CCC([N@@H+](Cc2cc(C3C[NH2+]C3)no2)C2CC2)CC1 ZINC001577246462 1191889777 /nfs/dbraw/zinc/88/97/77/1191889777.db2.gz ABVQGUNMIDSUEN-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577743128 1191914344 /nfs/dbraw/zinc/91/43/44/1191914344.db2.gz ODWZQAUHNFBXNH-HZSPNIEDSA-N 2 1 307.507 3.217 20 0 DGADMP CC[N@@H+](Cc1nc2c(s1)C[NH2+]CC2)[C@H](C)Cc1ccsc1 ZINC001577742722 1191914641 /nfs/dbraw/zinc/91/46/41/1191914641.db2.gz FKSUZHZBBJQETK-GFCCVEGCSA-N 2 1 321.515 3.303 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001578427073 1191942738 /nfs/dbraw/zinc/94/27/38/1191942738.db2.gz NXFKEMAZYWPDHI-PKOBYXMFSA-N 2 1 301.478 3.107 20 0 DGADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC001578737374 1191953577 /nfs/dbraw/zinc/95/35/77/1191953577.db2.gz WRYQCQVAJWQCDD-GOSISDBHSA-N 2 1 315.461 3.142 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C(C)(C)C ZINC001620785570 1191957308 /nfs/dbraw/zinc/95/73/08/1191957308.db2.gz FZKVJTFKZNWNEO-INIZCTEOSA-N 2 1 304.478 3.424 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC2CC(C)(C)C2)cc1 ZINC001579238534 1191970026 /nfs/dbraw/zinc/97/00/26/1191970026.db2.gz FUNIKAFHULFNHH-ROUUACIJSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c2ccccc21 ZINC001579324620 1191973783 /nfs/dbraw/zinc/97/37/83/1191973783.db2.gz UPZZWMSNCOZREP-KSSFIOAISA-N 2 1 313.445 3.193 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001579393542 1191975532 /nfs/dbraw/zinc/97/55/32/1191975532.db2.gz ZAEBTFXSUSLMHP-SFHVURJKSA-N 2 1 320.502 3.253 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C ZINC001579547396 1191979566 /nfs/dbraw/zinc/97/95/66/1191979566.db2.gz IAKQFZZQHRUNFS-QFBILLFUSA-N 2 1 312.461 3.178 20 0 DGADMP Cc1cc(Br)c(C[NH2+]CC[C@H](C)[NH3+])cc1Cl ZINC001579549793 1191979727 /nfs/dbraw/zinc/97/97/27/1191979727.db2.gz FXMCDQNYEFXKRN-VIFPVBQESA-N 2 1 305.647 3.238 20 0 DGADMP Cc1cc([C@H]2CC[N@H+](C[C@@H](C[NH3+])C(C)C)C2)c(O)cc1Cl ZINC001579590978 1191980756 /nfs/dbraw/zinc/98/07/56/1191980756.db2.gz YMSHNECWCWSXCR-UONOGXRCSA-N 2 1 310.869 3.374 20 0 DGADMP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC001579785203 1191993727 /nfs/dbraw/zinc/99/37/27/1191993727.db2.gz CZOCIUUFGYMAQN-RTBURBONSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2CCC2([NH3+])CCOCC2)c1C ZINC001579756225 1191991575 /nfs/dbraw/zinc/99/15/75/1191991575.db2.gz GOKDPPAKZAGKDJ-SFHVURJKSA-N 2 1 302.462 3.338 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc21 ZINC001579940226 1192000783 /nfs/dbraw/zinc/00/07/83/1192000783.db2.gz VUXHXWJHBDLYEC-LLVKDONJSA-N 2 1 305.809 3.246 20 0 DGADMP Fc1cccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001580034358 1192004141 /nfs/dbraw/zinc/00/41/41/1192004141.db2.gz JUOMSUZUQSWMNO-KVYRRESKSA-N 2 1 302.437 3.297 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC001580175852 1192011641 /nfs/dbraw/zinc/01/16/41/1192011641.db2.gz HCZHMRNUBIPMAH-STQMWFEESA-N 2 1 303.431 3.185 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)C12CCC2 ZINC001580165246 1192011250 /nfs/dbraw/zinc/01/12/50/1192011250.db2.gz UIAKZTKAYWEEKZ-IPMKNSEASA-N 2 1 307.441 3.225 20 0 DGADMP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001580184717 1192012748 /nfs/dbraw/zinc/01/27/48/1192012748.db2.gz ZSMXOPRZWDKVLI-FQEVSTJZSA-N 3 1 315.505 3.376 20 0 DGADMP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001580184717 1192012750 /nfs/dbraw/zinc/01/27/50/1192012750.db2.gz ZSMXOPRZWDKVLI-FQEVSTJZSA-N 3 1 315.505 3.376 20 0 DGADMP [NH3+]CC[C@@H](O)C[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001580284464 1192019007 /nfs/dbraw/zinc/01/90/07/1192019007.db2.gz DLPOWTWAPXKNNC-LJQANCHMSA-N 2 1 312.457 3.294 20 0 DGADMP [NH3+]Cc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001580339228 1192022397 /nfs/dbraw/zinc/02/23/97/1192022397.db2.gz GOIZDFUOPYMRJO-LJQANCHMSA-N 2 1 301.478 3.032 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)cc1 ZINC001580339228 1192022399 /nfs/dbraw/zinc/02/23/99/1192022399.db2.gz GOIZDFUOPYMRJO-LJQANCHMSA-N 2 1 301.478 3.032 20 0 DGADMP O[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001580878438 1192043323 /nfs/dbraw/zinc/04/33/23/1192043323.db2.gz OXCSPVOSNGJLDD-FPOVZHCZSA-N 2 1 324.468 3.222 20 0 DGADMP c1c(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)onc1C1C[NH2+]C1 ZINC001580888345 1192044176 /nfs/dbraw/zinc/04/41/76/1192044176.db2.gz JPPTUAMPPPTYJW-MRXNPFEDSA-N 2 1 303.450 3.296 20 0 DGADMP OC[C@H](C1CCC1)[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC001580882635 1192044217 /nfs/dbraw/zinc/04/42/17/1192044217.db2.gz WAQBAFXUGOLDSJ-AZUAARDMSA-N 2 1 316.489 3.039 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001620653459 1192059325 /nfs/dbraw/zinc/05/93/25/1192059325.db2.gz DOYSOCAEMAIPLM-IBGZPJMESA-N 2 1 316.489 3.182 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001620653459 1192059327 /nfs/dbraw/zinc/05/93/27/1192059327.db2.gz DOYSOCAEMAIPLM-IBGZPJMESA-N 2 1 316.489 3.182 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620925053 1192615983 /nfs/dbraw/zinc/61/59/83/1192615983.db2.gz YAPUODOECMVESH-IEBWSBKVSA-N 2 1 317.521 3.359 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000109068987 1176020690 /nfs/dbraw/zinc/02/06/90/1176020690.db2.gz YHNZIBVZDDTFBK-LBPRGKRZSA-N 2 1 318.795 3.373 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001691113639 1176322588 /nfs/dbraw/zinc/32/25/88/1176322588.db2.gz ULBFZPFKAGUQKN-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001691113639 1176322596 /nfs/dbraw/zinc/32/25/96/1176322596.db2.gz ULBFZPFKAGUQKN-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001691113639 1176322603 /nfs/dbraw/zinc/32/26/03/1176322603.db2.gz ULBFZPFKAGUQKN-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393842145 1176708256 /nfs/dbraw/zinc/70/82/56/1176708256.db2.gz WSEQUOZUUKVTPC-LJQANCHMSA-N 2 1 324.472 3.230 20 0 DGADMP Cc1cc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393842145 1176708262 /nfs/dbraw/zinc/70/82/62/1176708262.db2.gz WSEQUOZUUKVTPC-LJQANCHMSA-N 2 1 324.472 3.230 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)oc21 ZINC000378905336 1176751474 /nfs/dbraw/zinc/75/14/74/1176751474.db2.gz YSKAIUZCLYEXSO-CABCVRRESA-N 2 1 300.402 3.158 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)oc21 ZINC000378905336 1176751482 /nfs/dbraw/zinc/75/14/82/1176751482.db2.gz YSKAIUZCLYEXSO-CABCVRRESA-N 2 1 300.402 3.158 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000395179439 1176786002 /nfs/dbraw/zinc/78/60/02/1176786002.db2.gz HATNINGBFCEJKP-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000395179439 1176786013 /nfs/dbraw/zinc/78/60/13/1176786013.db2.gz HATNINGBFCEJKP-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cscc3Br)C[C@H]21 ZINC000383391287 1177037534 /nfs/dbraw/zinc/03/75/34/1177037534.db2.gz KJUPANFDENLWFJ-IRUJWGPZSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cscc3Br)C[C@H]21 ZINC000383391287 1177037543 /nfs/dbraw/zinc/03/75/43/1177037543.db2.gz KJUPANFDENLWFJ-IRUJWGPZSA-N 2 1 315.280 3.070 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168460979 1177226036 /nfs/dbraw/zinc/22/60/36/1177226036.db2.gz OYIMDGTZXQCDNB-OLZOCXBDSA-N 2 1 316.367 3.390 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC001330998886 1178108341 /nfs/dbraw/zinc/10/83/41/1178108341.db2.gz AKBJJTLFJGRDGI-CYBMUJFWSA-N 2 1 323.868 3.120 20 0 DGADMP Cn1cc([C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)cn1 ZINC001332876966 1178512624 /nfs/dbraw/zinc/51/26/24/1178512624.db2.gz GPELSCJIJOASOV-KZNAEPCWSA-N 2 1 312.461 3.005 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C ZINC001333041922 1178544753 /nfs/dbraw/zinc/54/47/53/1178544753.db2.gz RUYRYIVJNQHQNR-KRWDZBQOSA-N 2 1 310.445 3.104 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001333627940 1178642344 /nfs/dbraw/zinc/64/23/44/1178642344.db2.gz ASRNULRNHRDVCH-UXHICEINSA-N 2 1 316.489 3.428 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccncc4s3)C[C@H]2C1 ZINC001334356252 1178753582 /nfs/dbraw/zinc/75/35/82/1178753582.db2.gz KNIGBZWUFJRKPV-ARFHVFGLSA-N 2 1 315.486 3.458 20 0 DGADMP CCCc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001334401832 1178759177 /nfs/dbraw/zinc/75/91/77/1178759177.db2.gz KABKNTVARVBBQK-UHFFFAOYSA-N 2 1 316.489 3.372 20 0 DGADMP COC[C@@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C(C)C ZINC001334889009 1178823001 /nfs/dbraw/zinc/82/30/01/1178823001.db2.gz WCRVPTWUYPUDSI-MRXNPFEDSA-N 2 1 306.450 3.152 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)CC1(C)C ZINC001334901869 1178826902 /nfs/dbraw/zinc/82/69/02/1178826902.db2.gz IIDPFYBXJVTSDG-GUYCJALGSA-N 2 1 310.869 3.010 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@@H]2C1 ZINC001335133565 1178858549 /nfs/dbraw/zinc/85/85/49/1178858549.db2.gz JCRPEGQQAHXWIS-SGMGOOAPSA-N 2 1 312.379 3.266 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC001335150590 1178861854 /nfs/dbraw/zinc/86/18/54/1178861854.db2.gz RNUKYRLUYUQPPK-GBESFXJTSA-N 2 1 314.473 3.174 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257512 1178878253 /nfs/dbraw/zinc/87/82/53/1178878253.db2.gz VYJFRNLWYQWGBJ-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257512 1178878268 /nfs/dbraw/zinc/87/82/68/1178878268.db2.gz VYJFRNLWYQWGBJ-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)C[C@H]2C1 ZINC001335581913 1178932457 /nfs/dbraw/zinc/93/24/57/1178932457.db2.gz HOVIAIRAPJQILF-XMTFNYHQSA-N 2 1 314.473 3.215 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001335582647 1178933713 /nfs/dbraw/zinc/93/37/13/1178933713.db2.gz NOKWFZCRELHLHX-DAYGRLMNSA-N 2 1 319.468 3.054 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1cccc(C)c1 ZINC001335945234 1178973952 /nfs/dbraw/zinc/97/39/52/1178973952.db2.gz DJKRSNAOIMZLFB-SFHVURJKSA-N 2 1 315.461 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1cccc(C)c1 ZINC001335945234 1178973956 /nfs/dbraw/zinc/97/39/56/1178973956.db2.gz DJKRSNAOIMZLFB-SFHVURJKSA-N 2 1 315.461 3.200 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001345079284 1179523002 /nfs/dbraw/zinc/52/30/02/1179523002.db2.gz VTXBDVHABBYVBZ-BHIYHBOVSA-N 2 1 313.489 3.044 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccn2C2CC2)[C@H](c2ccccc2)C1 ZINC001346044980 1179643468 /nfs/dbraw/zinc/64/34/68/1179643468.db2.gz QARDGDYEDLZBHW-XLIONFOSSA-N 2 1 309.457 3.258 20 0 DGADMP CCCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC001349582223 1179918999 /nfs/dbraw/zinc/91/89/99/1179918999.db2.gz WEZOEEZHPNQQQX-UFYCRDLUSA-N 2 1 316.489 3.357 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)/C=C\c1ccccc1 ZINC001351194381 1180184788 /nfs/dbraw/zinc/18/47/88/1180184788.db2.gz CQCGBRPJKZDDFN-FPLPWBNLSA-N 2 1 304.353 3.228 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)oc21 ZINC001351314068 1180198475 /nfs/dbraw/zinc/19/84/75/1180198475.db2.gz GBMTXKHIAGYQDW-AWEZNQCLSA-N 2 1 302.418 3.404 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)oc21 ZINC001351314068 1180198481 /nfs/dbraw/zinc/19/84/81/1180198481.db2.gz GBMTXKHIAGYQDW-AWEZNQCLSA-N 2 1 302.418 3.404 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC001621317005 1193013193 /nfs/dbraw/zinc/01/31/93/1193013193.db2.gz HBUIJLDQRZCIFB-UHFFFAOYSA-N 2 1 304.356 3.011 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001352112389 1180298070 /nfs/dbraw/zinc/29/80/70/1180298070.db2.gz MUUMRJOUNUYFJE-BZSNNMDCSA-N 2 1 302.462 3.247 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352113927 1180298544 /nfs/dbraw/zinc/29/85/44/1180298544.db2.gz VPFFEHAVGASBKE-RXTZGDTCSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001200715167 1180848389 /nfs/dbraw/zinc/84/83/89/1180848389.db2.gz QGYXJBHXWRQGKE-WMLDXEAASA-N 2 1 318.490 3.261 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001200715167 1180848397 /nfs/dbraw/zinc/84/83/97/1180848397.db2.gz QGYXJBHXWRQGKE-WMLDXEAASA-N 2 1 318.490 3.261 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC001355263666 1181022942 /nfs/dbraw/zinc/02/29/42/1181022942.db2.gz MUGHLCOSBKCIFH-QWRGUYRKSA-N 2 1 321.412 3.210 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001365289303 1181683920 /nfs/dbraw/zinc/68/39/20/1181683920.db2.gz ZFAKHIZJNALOEH-UHFFFAOYSA-N 2 1 313.445 3.247 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001365289303 1181683922 /nfs/dbraw/zinc/68/39/22/1181683922.db2.gz ZFAKHIZJNALOEH-UHFFFAOYSA-N 2 1 313.445 3.247 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001447958786 1182199023 /nfs/dbraw/zinc/19/90/23/1182199023.db2.gz MOBACNAMLDSNEU-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001459624480 1182599982 /nfs/dbraw/zinc/59/99/82/1182599982.db2.gz DYQSJEJBDOCYIC-HXUWFJFHSA-N 2 1 316.489 3.052 20 0 DGADMP CCOC(=O)[C@H](CC)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001459817164 1182619265 /nfs/dbraw/zinc/61/92/65/1182619265.db2.gz HJHQRNXVNQXSOC-SFHVURJKSA-N 2 1 324.509 3.162 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC001459823930 1182619327 /nfs/dbraw/zinc/61/93/27/1182619327.db2.gz FMPQVSALPINLAF-VQTJNVASSA-N 2 1 318.505 3.238 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827618 1182621093 /nfs/dbraw/zinc/62/10/93/1182621093.db2.gz WZAJTBLEZYDETO-UXHICEINSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827618 1182621097 /nfs/dbraw/zinc/62/10/97/1182621097.db2.gz WZAJTBLEZYDETO-UXHICEINSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H](C)CO ZINC001460178632 1182659598 /nfs/dbraw/zinc/65/95/98/1182659598.db2.gz JRMTWEPOTWPOQD-GOSISDBHSA-N 2 1 318.505 3.034 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCOCC2CCC2)CC1 ZINC001460627169 1182702098 /nfs/dbraw/zinc/70/20/98/1182702098.db2.gz PICOTWVWJLDEOF-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC[C@H]2CCOC2)CC1 ZINC001460627755 1182702313 /nfs/dbraw/zinc/70/23/13/1182702313.db2.gz QZVBJHDKDPPFLD-RBUKOAKNSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001460803391 1182723945 /nfs/dbraw/zinc/72/39/45/1182723945.db2.gz XPNBXGHZXIZHNR-IFXJQAMLSA-N 2 1 311.404 3.419 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC001460803395 1182724594 /nfs/dbraw/zinc/72/45/94/1182724594.db2.gz XPNBXGHZXIZHNR-LIRRHRJNSA-N 2 1 311.404 3.419 20 0 DGADMP C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824194 1182727646 /nfs/dbraw/zinc/72/76/46/1182727646.db2.gz GVBSSHOELLZIPF-IUODEOHRSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824194 1182727652 /nfs/dbraw/zinc/72/76/52/1182727652.db2.gz GVBSSHOELLZIPF-IUODEOHRSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824194 1182727657 /nfs/dbraw/zinc/72/76/57/1182727657.db2.gz GVBSSHOELLZIPF-IUODEOHRSA-N 2 1 308.853 3.410 20 0 DGADMP CCO[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001460875714 1182733375 /nfs/dbraw/zinc/73/33/75/1182733375.db2.gz BJIBCLWLKHVRTK-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC[N@@H+](C)[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001460991015 1182751728 /nfs/dbraw/zinc/75/17/28/1182751728.db2.gz LYBQQWCMTGKSGY-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC001461182682 1182779633 /nfs/dbraw/zinc/77/96/33/1182779633.db2.gz QIGZWPBRAKLORF-SJORKVTESA-N 2 1 302.462 3.407 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC001461182682 1182779639 /nfs/dbraw/zinc/77/96/39/1182779639.db2.gz QIGZWPBRAKLORF-SJORKVTESA-N 2 1 302.462 3.407 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001461258667 1182787877 /nfs/dbraw/zinc/78/78/77/1182787877.db2.gz APUFFCLRQGIKCI-MKXGPGLRSA-N 2 1 306.494 3.046 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001461258667 1182787881 /nfs/dbraw/zinc/78/78/81/1182787881.db2.gz APUFFCLRQGIKCI-MKXGPGLRSA-N 2 1 306.494 3.046 20 0 DGADMP CCc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001461276373 1182791731 /nfs/dbraw/zinc/79/17/31/1182791731.db2.gz QRDNILZYOSSWGW-UHFFFAOYSA-N 2 1 304.478 3.228 20 0 DGADMP CCCn1nc(C)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1C ZINC001461431558 1182812132 /nfs/dbraw/zinc/81/21/32/1182812132.db2.gz ORIMTVHCYGJBAR-HNNXBMFYSA-N 2 1 306.498 3.264 20 0 DGADMP C[C@@H]1Cc2cc(CNC[C@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679807 1182841424 /nfs/dbraw/zinc/84/14/24/1182841424.db2.gz IQDIEZXVYXUQES-RDTXWAMCSA-N 2 1 300.446 3.117 20 0 DGADMP C[C@@H]1Cc2cc(CNC[C@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679807 1182841431 /nfs/dbraw/zinc/84/14/31/1182841431.db2.gz IQDIEZXVYXUQES-RDTXWAMCSA-N 2 1 300.446 3.117 20 0 DGADMP C[C@H]1Cc2cc(CNC[C@@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679805 1182842779 /nfs/dbraw/zinc/84/27/79/1182842779.db2.gz IQDIEZXVYXUQES-KSSFIOAISA-N 2 1 300.446 3.117 20 0 DGADMP C[C@H]1Cc2cc(CNC[C@@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679805 1182842785 /nfs/dbraw/zinc/84/27/85/1182842785.db2.gz IQDIEZXVYXUQES-KSSFIOAISA-N 2 1 300.446 3.117 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C12CCCCC2 ZINC001462443363 1182953733 /nfs/dbraw/zinc/95/37/33/1182953733.db2.gz XLAUJOCOCLUYCC-OKZBNKHCSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001462546072 1182966651 /nfs/dbraw/zinc/96/66/51/1182966651.db2.gz CUIFDTMPCNYANN-QRFRQXIXSA-N 2 1 307.441 3.396 20 0 DGADMP CCC1(C)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001473135396 1183720164 /nfs/dbraw/zinc/72/01/64/1183720164.db2.gz QTLHSDNCMFUILM-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(C)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001473135396 1183720168 /nfs/dbraw/zinc/72/01/68/1183720168.db2.gz QTLHSDNCMFUILM-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001473148629 1183721957 /nfs/dbraw/zinc/72/19/57/1183721957.db2.gz AHXKOLKORQCZPW-ZWKOTPCHSA-N 2 1 324.509 3.018 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210027 1183730512 /nfs/dbraw/zinc/73/05/12/1183730512.db2.gz BEHXEHJZWOPCRF-GDBMZVCRSA-N 2 1 313.445 3.245 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210027 1183730516 /nfs/dbraw/zinc/73/05/16/1183730516.db2.gz BEHXEHJZWOPCRF-GDBMZVCRSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210027 1183730517 /nfs/dbraw/zinc/73/05/17/1183730517.db2.gz BEHXEHJZWOPCRF-GDBMZVCRSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210027 1183730518 /nfs/dbraw/zinc/73/05/18/1183730518.db2.gz BEHXEHJZWOPCRF-GDBMZVCRSA-N 2 1 313.445 3.245 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001473422448 1183755513 /nfs/dbraw/zinc/75/55/13/1183755513.db2.gz SBSOSLOYYDPMPF-KRWDZBQOSA-N 2 1 324.896 3.006 20 0 DGADMP CCc1ccc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001473586074 1183776095 /nfs/dbraw/zinc/77/60/95/1183776095.db2.gz BFQGFGDKYJROOZ-UHFFFAOYSA-N 2 1 309.457 3.399 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634880 1183784437 /nfs/dbraw/zinc/78/44/37/1183784437.db2.gz WWQLWEPAWYMWBM-FUHWJXTLSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634880 1183784441 /nfs/dbraw/zinc/78/44/41/1183784441.db2.gz WWQLWEPAWYMWBM-FUHWJXTLSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634880 1183784443 /nfs/dbraw/zinc/78/44/43/1183784443.db2.gz WWQLWEPAWYMWBM-FUHWJXTLSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634880 1183784447 /nfs/dbraw/zinc/78/44/47/1183784447.db2.gz WWQLWEPAWYMWBM-FUHWJXTLSA-N 2 1 324.896 3.050 20 0 DGADMP C/C=C/C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688041 1183789845 /nfs/dbraw/zinc/78/98/45/1183789845.db2.gz PBMNHDFBLIUZRE-FMEUAVTJSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688041 1183789849 /nfs/dbraw/zinc/78/98/49/1183789849.db2.gz PBMNHDFBLIUZRE-FMEUAVTJSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C/C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001473688041 1183789853 /nfs/dbraw/zinc/78/98/53/1183789853.db2.gz PBMNHDFBLIUZRE-FMEUAVTJSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C/C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001473688041 1183789858 /nfs/dbraw/zinc/78/98/58/1183789858.db2.gz PBMNHDFBLIUZRE-FMEUAVTJSA-N 2 1 316.489 3.158 20 0 DGADMP CCc1ccc(C2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001473692052 1183790577 /nfs/dbraw/zinc/79/05/77/1183790577.db2.gz SHBXLZZLRHNARA-HXUWFJFHSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc(C2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001473692052 1183790580 /nfs/dbraw/zinc/79/05/80/1183790580.db2.gz SHBXLZZLRHNARA-HXUWFJFHSA-N 2 1 318.505 3.130 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842099 1183810677 /nfs/dbraw/zinc/81/06/77/1183810677.db2.gz JCPXKESWAHVXSL-QEORTHHSSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842099 1183810683 /nfs/dbraw/zinc/81/06/83/1183810683.db2.gz JCPXKESWAHVXSL-QEORTHHSSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842099 1183810690 /nfs/dbraw/zinc/81/06/90/1183810690.db2.gz JCPXKESWAHVXSL-QEORTHHSSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842099 1183810698 /nfs/dbraw/zinc/81/06/98/1183810698.db2.gz JCPXKESWAHVXSL-QEORTHHSSA-N 2 1 310.388 3.233 20 0 DGADMP CC1(C)CC2(CO1)CCC([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001473919783 1183827017 /nfs/dbraw/zinc/82/70/17/1183827017.db2.gz PDZYKYJUSQOQJW-UHFFFAOYSA-N 2 1 306.494 3.331 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)C1 ZINC001473939545 1183833513 /nfs/dbraw/zinc/83/35/13/1183833513.db2.gz JYLQMMODNUTRNL-MRXNPFEDSA-N 2 1 304.478 3.424 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473957105 1183837520 /nfs/dbraw/zinc/83/75/20/1183837520.db2.gz KCUBFTJJZOMYCR-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC001473957105 1183837527 /nfs/dbraw/zinc/83/75/27/1183837527.db2.gz KCUBFTJJZOMYCR-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC001474018848 1183852025 /nfs/dbraw/zinc/85/20/25/1183852025.db2.gz HFAXPYDABRIBGK-RDJZCZTQSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC001474018848 1183852027 /nfs/dbraw/zinc/85/20/27/1183852027.db2.gz HFAXPYDABRIBGK-RDJZCZTQSA-N 2 1 318.490 3.137 20 0 DGADMP COc1cc(C)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC001474037520 1183856610 /nfs/dbraw/zinc/85/66/10/1183856610.db2.gz AWFQEJMWPAXJAY-UHFFFAOYSA-N 2 1 317.477 3.204 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC001474174489 1183877975 /nfs/dbraw/zinc/87/79/75/1183877975.db2.gz RDVUOQIPNAIPDA-SJLPKXTDSA-N 2 1 316.489 3.264 20 0 DGADMP C[NH+]1CCN(c2ccc(NCc3ccoc3)c3c[nH+]ccc32)CC1 ZINC001474301294 1183899860 /nfs/dbraw/zinc/89/98/60/1183899860.db2.gz APXUUFUEYNQOIB-UHFFFAOYSA-N 2 1 322.412 3.192 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317502 1183903650 /nfs/dbraw/zinc/90/36/50/1183903650.db2.gz HQSSSZDARQDVJP-IUODEOHRSA-N 2 1 320.506 3.175 20 0 DGADMP CC[N@@H+](CC1CC(OC)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001474325283 1183905162 /nfs/dbraw/zinc/90/51/62/1183905162.db2.gz WVIMDPHJRNLDPA-HDYDNRTBSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC1CC(OC)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474325283 1183905163 /nfs/dbraw/zinc/90/51/63/1183905163.db2.gz WVIMDPHJRNLDPA-HDYDNRTBSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC1CC(OC)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474325283 1183905164 /nfs/dbraw/zinc/90/51/64/1183905164.db2.gz WVIMDPHJRNLDPA-HDYDNRTBSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001474380933 1183913427 /nfs/dbraw/zinc/91/34/27/1183913427.db2.gz HHJXNUSMAMKUNC-OALUTQOASA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001474380933 1183913433 /nfs/dbraw/zinc/91/34/33/1183913433.db2.gz HHJXNUSMAMKUNC-OALUTQOASA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001474380933 1183913434 /nfs/dbraw/zinc/91/34/34/1183913434.db2.gz HHJXNUSMAMKUNC-OALUTQOASA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001474388496 1183914627 /nfs/dbraw/zinc/91/46/27/1183914627.db2.gz LIRSLDODVZMCSI-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001474553812 1183939133 /nfs/dbraw/zinc/93/91/33/1183939133.db2.gz XVURGEOUZLIMLB-MTNOOBJLSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001474553812 1183939135 /nfs/dbraw/zinc/93/91/35/1183939135.db2.gz XVURGEOUZLIMLB-MTNOOBJLSA-N 2 1 324.509 3.208 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC001474754933 1183973903 /nfs/dbraw/zinc/97/39/03/1183973903.db2.gz FPSCRLDBRNTCTC-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC001474754933 1183973905 /nfs/dbraw/zinc/97/39/05/1183973905.db2.gz FPSCRLDBRNTCTC-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001479637395 1184280389 /nfs/dbraw/zinc/28/03/89/1184280389.db2.gz PEXMVKJSNDGFLL-OKZBNKHCSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001479637395 1184280394 /nfs/dbraw/zinc/28/03/94/1184280394.db2.gz PEXMVKJSNDGFLL-OKZBNKHCSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001479637395 1184280398 /nfs/dbraw/zinc/28/03/98/1184280398.db2.gz PEXMVKJSNDGFLL-OKZBNKHCSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001479646884 1184284488 /nfs/dbraw/zinc/28/44/88/1184284488.db2.gz RFFXVLZLYDGMKE-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001480350678 1184502469 /nfs/dbraw/zinc/50/24/69/1184502469.db2.gz BJNUEEUKULGCJJ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001480403577 1184523539 /nfs/dbraw/zinc/52/35/39/1184523539.db2.gz LUTAJUXMQWWJPS-ABHNRTSZSA-N 2 1 323.525 3.066 20 0 DGADMP CCC[N@H+](CC=C(C)C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001493316487 1184685086 /nfs/dbraw/zinc/68/50/86/1184685086.db2.gz LMXXZNXLTKKNJJ-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503022614 1186036332 /nfs/dbraw/zinc/03/63/32/1186036332.db2.gz AZLNSTUXQKOGJV-VTFYZGIISA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001503022614 1186036336 /nfs/dbraw/zinc/03/63/36/1186036336.db2.gz AZLNSTUXQKOGJV-VTFYZGIISA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001503022614 1186036340 /nfs/dbraw/zinc/03/63/40/1186036340.db2.gz AZLNSTUXQKOGJV-VTFYZGIISA-N 2 1 323.525 3.042 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001611708185 1193440315 /nfs/dbraw/zinc/44/03/15/1193440315.db2.gz NWKBKJWZLYWPMU-CQSZACIVSA-N 2 1 321.346 3.209 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC001616382365 1193537081 /nfs/dbraw/zinc/53/70/81/1193537081.db2.gz KEBWIZFIFKATQG-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001616754473 1193546372 /nfs/dbraw/zinc/54/63/72/1193546372.db2.gz RDUWNTLYOAIVMC-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC001616754473 1193546374 /nfs/dbraw/zinc/54/63/74/1193546374.db2.gz RDUWNTLYOAIVMC-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC001616754473 1193546376 /nfs/dbraw/zinc/54/63/76/1193546376.db2.gz RDUWNTLYOAIVMC-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001616754477 1193546504 /nfs/dbraw/zinc/54/65/04/1193546504.db2.gz RDUWNTLYOAIVMC-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001616754477 1193546505 /nfs/dbraw/zinc/54/65/05/1193546505.db2.gz RDUWNTLYOAIVMC-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001616754477 1193546506 /nfs/dbraw/zinc/54/65/06/1193546506.db2.gz RDUWNTLYOAIVMC-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001617104895 1193557784 /nfs/dbraw/zinc/55/77/84/1193557784.db2.gz ZUVFNRKWAMLSPL-NVXWUHKLSA-N 2 1 314.473 3.459 20 0 DGADMP CO[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001548928482 1188481475 /nfs/dbraw/zinc/48/14/75/1188481475.db2.gz JXACFBSHKYFPCK-BVOGOJNSSA-N 2 1 322.452 3.382 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001549087617 1188493257 /nfs/dbraw/zinc/49/32/57/1188493257.db2.gz GUYCDIGKCVHJJF-SLHNCBLASA-N 2 1 314.473 3.151 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC001549087697 1188493284 /nfs/dbraw/zinc/49/32/84/1188493284.db2.gz XWMQOLLEBQNUPX-WBMJQRKESA-N 2 1 319.499 3.432 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC001549087697 1188493285 /nfs/dbraw/zinc/49/32/85/1188493285.db2.gz XWMQOLLEBQNUPX-WBMJQRKESA-N 2 1 319.499 3.432 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](c3ccccc3)CO2)CC1(C)C ZINC001549544777 1188526047 /nfs/dbraw/zinc/52/60/47/1188526047.db2.gz AZSIZGWAJVMMFI-SQNIBIBYSA-N 2 1 302.462 3.022 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3C[C@H]3C3CCOCC3)CC[NH2+]2)cc1 ZINC001549921626 1188558879 /nfs/dbraw/zinc/55/88/79/1188558879.db2.gz TWJHTOJAEGEFBF-ZRNYENFQSA-N 2 1 314.473 3.132 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001550174626 1188590438 /nfs/dbraw/zinc/59/04/38/1188590438.db2.gz FAJGLGZPWRXDQB-WTGUMLROSA-N 2 1 314.473 3.358 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175152 1188591183 /nfs/dbraw/zinc/59/11/83/1188591183.db2.gz NWVUCVFMARLKKD-IVMQYODDSA-N 2 1 318.436 3.107 20 0 DGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H](O)C2 ZINC001550349634 1188609253 /nfs/dbraw/zinc/60/92/53/1188609253.db2.gz AMZGHBPQBSKZOQ-QWFUGVESSA-N 2 1 308.510 3.025 20 0 DGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC001550350218 1188609432 /nfs/dbraw/zinc/60/94/32/1188609432.db2.gz LEBYSHLARRNTMJ-UKRRQHHQSA-N 2 1 313.470 3.296 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3cccs3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353285 1188609998 /nfs/dbraw/zinc/60/99/98/1188609998.db2.gz KXTDYDURMNUYOT-XHHISWJOSA-N 2 1 322.518 3.269 20 0 DGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c1 ZINC001550355488 1188610071 /nfs/dbraw/zinc/61/00/71/1188610071.db2.gz XVECJWRWLWNBSN-ZMHJYQQXSA-N 2 1 316.489 3.125 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@@H](O)C2 ZINC001550353255 1188610290 /nfs/dbraw/zinc/61/02/90/1188610290.db2.gz QXVMTWSWNRRILC-GJGATLCTSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3CCCCCC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550356870 1188610339 /nfs/dbraw/zinc/61/03/39/1188610339.db2.gz YUTMSRDCYSBBMA-HCXYKTFWSA-N 2 1 308.510 3.169 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3ccc(C)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422634 1188615020 /nfs/dbraw/zinc/61/50/20/1188615020.db2.gz BBQFHISCIDNASY-OWSLCNJRSA-N 2 1 322.518 3.016 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001550515931 1188617940 /nfs/dbraw/zinc/61/79/40/1188617940.db2.gz YNELAZLXVOEQTF-PMPSAXMXSA-N 2 1 303.450 3.138 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)C1 ZINC001550520975 1188618743 /nfs/dbraw/zinc/61/87/43/1188618743.db2.gz PVSCPYUUBZGSJL-GPMSIDNRSA-N 2 1 319.493 3.367 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC001550542913 1188621582 /nfs/dbraw/zinc/62/15/82/1188621582.db2.gz AOFSESUYHVONDN-JKSUJKDBSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC001550542913 1188621586 /nfs/dbraw/zinc/62/15/86/1188621586.db2.gz AOFSESUYHVONDN-JKSUJKDBSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC001550542913 1188621590 /nfs/dbraw/zinc/62/15/90/1188621590.db2.gz AOFSESUYHVONDN-JKSUJKDBSA-N 2 1 317.864 3.178 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543172 1188622652 /nfs/dbraw/zinc/62/26/52/1188622652.db2.gz IINBBLJJNPGTOO-WMZOPIPTSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543172 1188622653 /nfs/dbraw/zinc/62/26/53/1188622653.db2.gz IINBBLJJNPGTOO-WMZOPIPTSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550543172 1188622655 /nfs/dbraw/zinc/62/26/55/1188622655.db2.gz IINBBLJJNPGTOO-WMZOPIPTSA-N 2 1 302.462 3.202 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CCO1 ZINC001551259623 1188722476 /nfs/dbraw/zinc/72/24/76/1188722476.db2.gz GQTQAFDPYXJKIM-BCYZHJNNSA-N 2 1 308.510 3.100 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)o3)C[C@H]2C1 ZINC001551280803 1188724826 /nfs/dbraw/zinc/72/48/26/1188724826.db2.gz NNNVPZNUSKNYJQ-GVDBMIGSSA-N 2 1 317.477 3.042 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCN1CCCc2ccccc21 ZINC001559567211 1189218013 /nfs/dbraw/zinc/21/80/13/1189218013.db2.gz ADZFZAJWUIZNPX-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCN1CCCc2ccccc21 ZINC001559567211 1189218016 /nfs/dbraw/zinc/21/80/16/1189218016.db2.gz ADZFZAJWUIZNPX-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCN1CCCc2ccccc21 ZINC001559567211 1189218018 /nfs/dbraw/zinc/21/80/18/1189218018.db2.gz ADZFZAJWUIZNPX-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCN1CCCc2ccccc21 ZINC001559567211 1189218021 /nfs/dbraw/zinc/21/80/21/1189218021.db2.gz ADZFZAJWUIZNPX-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC001559584442 1189220147 /nfs/dbraw/zinc/22/01/47/1189220147.db2.gz MDGTVWWHLYMIKZ-IWCQGFGOSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC001559584442 1189220149 /nfs/dbraw/zinc/22/01/49/1189220149.db2.gz MDGTVWWHLYMIKZ-IWCQGFGOSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584442 1189220151 /nfs/dbraw/zinc/22/01/51/1189220151.db2.gz MDGTVWWHLYMIKZ-IWCQGFGOSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584442 1189220153 /nfs/dbraw/zinc/22/01/53/1189220153.db2.gz MDGTVWWHLYMIKZ-IWCQGFGOSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC001559584443 1189220769 /nfs/dbraw/zinc/22/07/69/1189220769.db2.gz MDGTVWWHLYMIKZ-ORQFMDKSSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC001559584443 1189220772 /nfs/dbraw/zinc/22/07/72/1189220772.db2.gz MDGTVWWHLYMIKZ-ORQFMDKSSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584443 1189220774 /nfs/dbraw/zinc/22/07/74/1189220774.db2.gz MDGTVWWHLYMIKZ-ORQFMDKSSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584443 1189220777 /nfs/dbraw/zinc/22/07/77/1189220777.db2.gz MDGTVWWHLYMIKZ-ORQFMDKSSA-N 2 1 308.416 3.450 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001559659899 1189226901 /nfs/dbraw/zinc/22/69/01/1189226901.db2.gz DMWWZNZRXSTSFA-AQNXPRMDSA-N 2 1 322.537 3.493 20 0 DGADMP C[C@H]1CC(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)C1 ZINC001559715874 1189233847 /nfs/dbraw/zinc/23/38/47/1189233847.db2.gz QSHRTELYPUAEFE-QZTJIDSGSA-N 2 1 323.569 3.407 20 0 DGADMP CO[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC001559943651 1189259932 /nfs/dbraw/zinc/25/99/32/1189259932.db2.gz IRGDXPAHLRMMMZ-LJQANCHMSA-N 2 1 317.477 3.189 20 0 DGADMP C[C@@H](CCO)[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559960610 1189262812 /nfs/dbraw/zinc/26/28/12/1189262812.db2.gz VAGYDLQBTYWFEJ-SFHVURJKSA-N 2 1 318.505 3.034 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964151 1189264152 /nfs/dbraw/zinc/26/41/52/1189264152.db2.gz MNOQABIFQZWDDK-QZTJIDSGSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964151 1189264155 /nfs/dbraw/zinc/26/41/55/1189264155.db2.gz MNOQABIFQZWDDK-QZTJIDSGSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964151 1189264160 /nfs/dbraw/zinc/26/41/60/1189264160.db2.gz MNOQABIFQZWDDK-QZTJIDSGSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001559964151 1189264165 /nfs/dbraw/zinc/26/41/65/1189264165.db2.gz MNOQABIFQZWDDK-QZTJIDSGSA-N 2 1 324.896 3.050 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1c(F)cccc1F ZINC001560155569 1189285506 /nfs/dbraw/zinc/28/55/06/1189285506.db2.gz OMOUFCOFIQMWLR-AWEZNQCLSA-N 2 1 317.383 3.113 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1c(F)cccc1F ZINC001560155569 1189285509 /nfs/dbraw/zinc/28/55/09/1189285509.db2.gz OMOUFCOFIQMWLR-AWEZNQCLSA-N 2 1 317.383 3.113 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001560262800 1189300956 /nfs/dbraw/zinc/30/09/56/1189300956.db2.gz PEEARTTYYODISV-ZDUSSCGKSA-N 2 1 310.388 3.170 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001560262800 1189300959 /nfs/dbraw/zinc/30/09/59/1189300959.db2.gz PEEARTTYYODISV-ZDUSSCGKSA-N 2 1 310.388 3.170 20 0 DGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001560320209 1189310998 /nfs/dbraw/zinc/31/09/98/1189310998.db2.gz RLZZSLXMMGVFHD-AZUAARDMSA-N 2 1 323.569 3.455 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324614 1189312196 /nfs/dbraw/zinc/31/21/96/1189312196.db2.gz XHXIVTIBMLZDRU-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C1CCCC1 ZINC001560324614 1189312200 /nfs/dbraw/zinc/31/22/00/1189312200.db2.gz XHXIVTIBMLZDRU-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCCC1 ZINC001560508509 1189335037 /nfs/dbraw/zinc/33/50/37/1189335037.db2.gz YSHZTRGHIQIUTC-IEBWSBKVSA-N 2 1 302.462 3.056 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCCC1 ZINC001560508509 1189335040 /nfs/dbraw/zinc/33/50/40/1189335040.db2.gz YSHZTRGHIQIUTC-IEBWSBKVSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC001560533733 1189337448 /nfs/dbraw/zinc/33/74/48/1189337448.db2.gz XDJZIWIRGZTLPP-ZWKOTPCHSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC001560556983 1189340112 /nfs/dbraw/zinc/34/01/12/1189340112.db2.gz ADESPNCGAZIKCX-JFIYKMOQSA-N 2 1 304.478 3.300 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(SC(F)F)cc3)[C@H]2C1 ZINC001560623212 1189349817 /nfs/dbraw/zinc/34/98/17/1189349817.db2.gz RLCRASMCDGWXKB-AEGPPILISA-N 2 1 312.429 3.431 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001560624619 1189351707 /nfs/dbraw/zinc/35/17/07/1189351707.db2.gz UUZKSLFHKSJPIC-OAHLLOKOSA-N 2 1 308.466 3.222 20 0 DGADMP CC(C)CCCC[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001560751004 1189374834 /nfs/dbraw/zinc/37/48/34/1189374834.db2.gz NPJSKQHTPSEYQS-LJQANCHMSA-N 2 1 304.478 3.169 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001560870095 1189396534 /nfs/dbraw/zinc/39/65/34/1189396534.db2.gz YOMPRQKAMOYFBB-ZWKOTPCHSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001560870095 1189396541 /nfs/dbraw/zinc/39/65/41/1189396541.db2.gz YOMPRQKAMOYFBB-ZWKOTPCHSA-N 2 1 303.494 3.223 20 0 DGADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001560947757 1189409554 /nfs/dbraw/zinc/40/95/54/1189409554.db2.gz HEDHPRNZXGRCTN-BEFAXECRSA-N 2 1 320.525 3.097 20 0 DGADMP CCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001566940742 1189962365 /nfs/dbraw/zinc/96/23/65/1189962365.db2.gz PSEOOEGYOATHSW-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001566983905 1189980826 /nfs/dbraw/zinc/98/08/26/1189980826.db2.gz FIUKOSZZZQPFRZ-ABHNRTSZSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567248910 1190095669 /nfs/dbraw/zinc/09/56/69/1190095669.db2.gz AEBOMDGYYZSWLH-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)([NH3+])c1cc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)on1 ZINC001575365589 1191476967 /nfs/dbraw/zinc/47/69/67/1191476967.db2.gz MUSNIYWRDUQBBN-UHFFFAOYSA-N 2 1 309.360 3.270 20 0 DGADMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC001575544151 1191490510 /nfs/dbraw/zinc/49/05/10/1191490510.db2.gz GFTOPGBBABQNBZ-ARFHVFGLSA-N 2 1 312.498 3.111 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001575700336 1191503796 /nfs/dbraw/zinc/50/37/96/1191503796.db2.gz QCFNLPXHASEZAL-RTBURBONSA-N 2 1 319.537 3.103 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001575700336 1191503799 /nfs/dbraw/zinc/50/37/99/1191503799.db2.gz QCFNLPXHASEZAL-RTBURBONSA-N 2 1 319.537 3.103 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH3+])cc3)C2)[nH]n1 ZINC001575850502 1191510655 /nfs/dbraw/zinc/51/06/55/1191510655.db2.gz OKOOJPYRVXAZGC-QGZVFWFLSA-N 2 1 312.461 3.371 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(C[NH3+])cc3)C2)n[nH]1 ZINC001575850502 1191510660 /nfs/dbraw/zinc/51/06/60/1191510660.db2.gz OKOOJPYRVXAZGC-QGZVFWFLSA-N 2 1 312.461 3.371 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH3+])cc3)C2)n[nH]1 ZINC001575850502 1191510662 /nfs/dbraw/zinc/51/06/62/1191510662.db2.gz OKOOJPYRVXAZGC-QGZVFWFLSA-N 2 1 312.461 3.371 20 0 DGADMP C[C@@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OCc1ccccc1 ZINC001575962678 1191519436 /nfs/dbraw/zinc/51/94/36/1191519436.db2.gz VRSGXZDTCAUJOQ-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](CCO)[N@H+](Cc1ccccc1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001575968001 1191520426 /nfs/dbraw/zinc/52/04/26/1191520426.db2.gz RVOBFSSKPIOUAB-ZHALLVOQSA-N 2 1 304.478 3.025 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC001576055853 1191526637 /nfs/dbraw/zinc/52/66/37/1191526637.db2.gz GOCQILHVFHZJPV-BZPMIXESSA-N 2 1 300.368 3.306 20 0 DGADMP CC(C)n1c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nc2ccccc21 ZINC001576250723 1191548911 /nfs/dbraw/zinc/54/89/11/1191548911.db2.gz HVOAEIKVIMBMNQ-GJZGRUSLSA-N 2 1 300.450 3.095 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576300254 1191557495 /nfs/dbraw/zinc/55/74/95/1191557495.db2.gz CHGXKXPDCKXINM-AWEZNQCLSA-N 2 1 317.408 3.021 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)[NH2+]C1 ZINC001576420929 1191606631 /nfs/dbraw/zinc/60/66/31/1191606631.db2.gz BYKMOBIJDZOPKW-OKZBNKHCSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CCN1c1cc[nH+]cc1 ZINC001620542575 1193777894 /nfs/dbraw/zinc/77/78/94/1193777894.db2.gz DIJHZKQSBFQWRJ-JKSUJKDBSA-N 2 1 317.477 3.186 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@H]1CCCC1(F)F ZINC001620594116 1193782370 /nfs/dbraw/zinc/78/23/70/1193782370.db2.gz HQAZMOQGRDIOEH-HUUCEWRRSA-N 2 1 309.404 3.418 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(F)cc(C(F)(F)F)c3)[C@H]2C1 ZINC001621108144 1193803564 /nfs/dbraw/zinc/80/35/64/1193803564.db2.gz IOXNEEOBVGJRHF-CQDKDKBSSA-N 2 1 316.342 3.274 20 0 DGADMP CCOc1ccc2c(c1)C[N@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001621137825 1193807672 /nfs/dbraw/zinc/80/76/72/1193807672.db2.gz LXQMTHYPDCCQQU-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP CCCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001621245788 1193822660 /nfs/dbraw/zinc/82/26/60/1193822660.db2.gz XOEVSPYSHQFPQV-VQIMIIECSA-N 2 1 304.478 3.312 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001621309895 1193829316 /nfs/dbraw/zinc/82/93/16/1193829316.db2.gz XVSCJBOLJNXQCQ-IBGZPJMESA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC001621309895 1193829318 /nfs/dbraw/zinc/82/93/18/1193829318.db2.gz XVSCJBOLJNXQCQ-IBGZPJMESA-N 2 1 307.526 3.103 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H](C4CC4)O3)C2)CC1 ZINC001641633813 1194863892 /nfs/dbraw/zinc/86/38/92/1194863892.db2.gz LZAJKXIRWBEGLM-IHPCNDPISA-N 2 1 320.521 3.388 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](C4CC4)O3)C2)CC1 ZINC001641633813 1194863894 /nfs/dbraw/zinc/86/38/94/1194863894.db2.gz LZAJKXIRWBEGLM-IHPCNDPISA-N 2 1 320.521 3.388 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641887312 1194878164 /nfs/dbraw/zinc/87/81/64/1194878164.db2.gz KSTLMGOFLZJIED-SFHVURJKSA-N 2 1 318.581 3.396 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641887312 1194878167 /nfs/dbraw/zinc/87/81/67/1194878167.db2.gz KSTLMGOFLZJIED-SFHVURJKSA-N 2 1 318.581 3.396 20 0 DGADMP COc1ccc(C[C@H]2CC[N@H+]2CCCCn2ccnc2C)cc1 ZINC001641991365 1194882304 /nfs/dbraw/zinc/88/23/04/1194882304.db2.gz DCNPQWRUEHVLIS-GOSISDBHSA-N 2 1 313.445 3.297 20 0 DGADMP COc1ccc(C[C@H]2CC[N@@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC001641991365 1194882308 /nfs/dbraw/zinc/88/23/08/1194882308.db2.gz DCNPQWRUEHVLIS-GOSISDBHSA-N 2 1 313.445 3.297 20 0 DGADMP COc1ccc(C[C@H]2CC[N@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC001641991365 1194882310 /nfs/dbraw/zinc/88/23/10/1194882310.db2.gz DCNPQWRUEHVLIS-GOSISDBHSA-N 2 1 313.445 3.297 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH+](CC)CC ZINC001642002897 1194883561 /nfs/dbraw/zinc/88/35/61/1194883561.db2.gz FFIYHCNSLWMBRM-SFHVURJKSA-N 2 1 303.494 3.449 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001644762353 1195132965 /nfs/dbraw/zinc/13/29/65/1195132965.db2.gz ZLPUGBWMHKTDSH-HZPDHXFCSA-N 2 1 318.452 3.245 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC001644761777 1195132986 /nfs/dbraw/zinc/13/29/86/1195132986.db2.gz KSMDYOFABZMPKL-CSODTCANSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001644965047 1195146868 /nfs/dbraw/zinc/14/68/68/1195146868.db2.gz JMIXLIFIMRVWBL-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CN1C ZINC001644965047 1195146876 /nfs/dbraw/zinc/14/68/76/1195146876.db2.gz JMIXLIFIMRVWBL-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CN1C ZINC001644965047 1195146878 /nfs/dbraw/zinc/14/68/78/1195146878.db2.gz JMIXLIFIMRVWBL-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001645096828 1195155733 /nfs/dbraw/zinc/15/57/33/1195155733.db2.gz CQCBZKGESZQHLU-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP CC[C@H](C)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC001647847570 1195258745 /nfs/dbraw/zinc/25/87/45/1195258745.db2.gz FCXRQWKFPHZFLJ-FRQCXROJSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC001647847570 1195258749 /nfs/dbraw/zinc/25/87/49/1195258749.db2.gz FCXRQWKFPHZFLJ-FRQCXROJSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC001647847570 1195258752 /nfs/dbraw/zinc/25/87/52/1195258752.db2.gz FCXRQWKFPHZFLJ-FRQCXROJSA-N 2 1 319.493 3.421 20 0 DGADMP CC[N@@H+](CCCOC(F)(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC001647927191 1195265587 /nfs/dbraw/zinc/26/55/87/1195265587.db2.gz OJJPXUNPGFDDGK-UHFFFAOYSA-N 2 1 318.383 3.497 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCO[C@H]2CCCCO2)CC1 ZINC001648027405 1195271130 /nfs/dbraw/zinc/27/11/30/1195271130.db2.gz RVAQOGDOBWGUMH-MOPGFXCFSA-N 2 1 324.509 3.116 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001648492965 1195304554 /nfs/dbraw/zinc/30/45/54/1195304554.db2.gz FVOPJRPNTRXLIK-QFBILLFUSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001648492965 1195304558 /nfs/dbraw/zinc/30/45/58/1195304558.db2.gz FVOPJRPNTRXLIK-QFBILLFUSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC001648492965 1195304559 /nfs/dbraw/zinc/30/45/59/1195304559.db2.gz FVOPJRPNTRXLIK-QFBILLFUSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001649655909 1195356578 /nfs/dbraw/zinc/35/65/78/1195356578.db2.gz DBPNARBAYOMPFP-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH+]ccc3N(C)C)C2)cc1 ZINC001650580254 1195363513 /nfs/dbraw/zinc/36/35/13/1195363513.db2.gz YEEBDSBTMXINFB-SFHVURJKSA-N 2 1 324.472 3.215 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001651194747 1195425791 /nfs/dbraw/zinc/42/57/91/1195425791.db2.gz WTGNYPYEULCWEP-UHFFFAOYSA-N 2 1 318.380 3.181 20 0 DGADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc(C(F)(F)F)c1 ZINC001651379904 1195452813 /nfs/dbraw/zinc/45/28/13/1195452813.db2.gz IFFQVSFHANRLLA-LLVKDONJSA-N 2 1 304.356 3.144 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC001651697542 1195497592 /nfs/dbraw/zinc/49/75/92/1195497592.db2.gz CENNQWDVQLJOPO-CWRNSKLLSA-N 2 1 305.491 3.231 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC001651697542 1195497596 /nfs/dbraw/zinc/49/75/96/1195497596.db2.gz CENNQWDVQLJOPO-CWRNSKLLSA-N 2 1 305.491 3.231 20 0 DGADMP CCOC(OCC)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001651714456 1195501050 /nfs/dbraw/zinc/50/10/50/1195501050.db2.gz HRHIVPXODRIGSS-OAHLLOKOSA-N 2 1 312.498 3.161 20 0 DGADMP CO[C@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC001651947534 1195527371 /nfs/dbraw/zinc/52/73/71/1195527371.db2.gz TVKIAUVPMLHMFD-VQIMIIECSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1nc(NCC2(c3ccccc3)CC[NH+](C)CC2)c(C)c(C)[nH+]1 ZINC001652090552 1195545824 /nfs/dbraw/zinc/54/58/24/1195545824.db2.gz KXTIAVCMFYHCEX-UHFFFAOYSA-N 2 1 324.472 3.477 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001652513878 1195609884 /nfs/dbraw/zinc/60/98/84/1195609884.db2.gz XSQGBKRJDPUFGQ-AEFFLSMTSA-N 2 1 304.478 3.423 20 0 DGADMP COc1ccc(SCC[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001652636039 1195630751 /nfs/dbraw/zinc/63/07/51/1195630751.db2.gz XFCVEECFEQIWCI-HNNXBMFYSA-N 2 1 308.491 3.109 20 0 DGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC001652890252 1195666222 /nfs/dbraw/zinc/66/62/22/1195666222.db2.gz NXBUVSLBOHAIGT-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890252 1195666226 /nfs/dbraw/zinc/66/62/26/1195666226.db2.gz NXBUVSLBOHAIGT-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890252 1195666229 /nfs/dbraw/zinc/66/62/29/1195666229.db2.gz NXBUVSLBOHAIGT-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001652890252 1195666231 /nfs/dbraw/zinc/66/62/31/1195666231.db2.gz NXBUVSLBOHAIGT-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001652890252 1195666232 /nfs/dbraw/zinc/66/62/32/1195666232.db2.gz NXBUVSLBOHAIGT-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC001652936581 1195672051 /nfs/dbraw/zinc/67/20/51/1195672051.db2.gz AYHFYCKHRSLSTQ-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC001652936581 1195672055 /nfs/dbraw/zinc/67/20/55/1195672055.db2.gz AYHFYCKHRSLSTQ-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)ccc2O1 ZINC001653025951 1195681562 /nfs/dbraw/zinc/68/15/62/1195681562.db2.gz SEDNRPDWYURYIT-CVEARBPZSA-N 2 1 323.440 3.116 20 0 DGADMP Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC001653222900 1195700225 /nfs/dbraw/zinc/70/02/25/1195700225.db2.gz ACYXUPAXHBTSRH-IBGZPJMESA-N 2 1 306.494 3.154 20 0 DGADMP Cc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC001653222900 1195700228 /nfs/dbraw/zinc/70/02/28/1195700228.db2.gz ACYXUPAXHBTSRH-IBGZPJMESA-N 2 1 306.494 3.154 20 0 DGADMP Cc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC001653222900 1195700230 /nfs/dbraw/zinc/70/02/30/1195700230.db2.gz ACYXUPAXHBTSRH-IBGZPJMESA-N 2 1 306.494 3.154 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCOC(F)(F)F)C2)CC1 ZINC001653255068 1195704043 /nfs/dbraw/zinc/70/40/43/1195704043.db2.gz FNEHESZZWLCIOI-OAHLLOKOSA-N 2 1 322.415 3.357 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCOC(F)(F)F)C2)CC1 ZINC001653255068 1195704045 /nfs/dbraw/zinc/70/40/45/1195704045.db2.gz FNEHESZZWLCIOI-OAHLLOKOSA-N 2 1 322.415 3.357 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC001653532307 1195731302 /nfs/dbraw/zinc/73/13/02/1195731302.db2.gz FYAVDKWMLWQSBX-GOSISDBHSA-N 2 1 308.441 3.089 20 0 DGADMP CCc1ccc(C[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC001653987802 1195765344 /nfs/dbraw/zinc/76/53/44/1195765344.db2.gz ZKEMTFPJDFQQGB-FQEVSTJZSA-N 2 1 318.505 3.162 20 0 DGADMP CCc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC001653987802 1195765348 /nfs/dbraw/zinc/76/53/48/1195765348.db2.gz ZKEMTFPJDFQQGB-FQEVSTJZSA-N 2 1 318.505 3.162 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC001653987802 1195765352 /nfs/dbraw/zinc/76/53/52/1195765352.db2.gz ZKEMTFPJDFQQGB-FQEVSTJZSA-N 2 1 318.505 3.162 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC001653987802 1195765355 /nfs/dbraw/zinc/76/53/55/1195765355.db2.gz ZKEMTFPJDFQQGB-FQEVSTJZSA-N 2 1 318.505 3.162 20 0 DGADMP CC[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@@H]1C ZINC001654218313 1195785724 /nfs/dbraw/zinc/78/57/24/1195785724.db2.gz KUMAOXBXVZCTNQ-RTBURBONSA-N 2 1 315.505 3.319 20 0 DGADMP C[C@@H](C[NH2+]Cc1cccc2c1OCCCO2)C[NH+]1CCCCC1 ZINC000069784032 1195820257 /nfs/dbraw/zinc/82/02/57/1195820257.db2.gz ZUUXGVJEGAIRHY-INIZCTEOSA-N 2 1 318.461 3.060 20 0 DGADMP CC(C)OCCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654727277 1195833906 /nfs/dbraw/zinc/83/39/06/1195833906.db2.gz HGQKNPJFEMITPC-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654727277 1195833908 /nfs/dbraw/zinc/83/39/08/1195833908.db2.gz HGQKNPJFEMITPC-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654727277 1195833912 /nfs/dbraw/zinc/83/39/12/1195833912.db2.gz HGQKNPJFEMITPC-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001654782356 1195840996 /nfs/dbraw/zinc/84/09/96/1195840996.db2.gz JVARCEWBYJDXER-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001654782356 1195840998 /nfs/dbraw/zinc/84/09/98/1195840998.db2.gz JVARCEWBYJDXER-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1ccccc1Cl ZINC001654837856 1195846008 /nfs/dbraw/zinc/84/60/08/1195846008.db2.gz LAXPJXUSKBBXTM-OAHLLOKOSA-N 2 1 315.848 3.488 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCCCC1(F)F ZINC001654838199 1195846372 /nfs/dbraw/zinc/84/63/72/1195846372.db2.gz OTGJIUAPVYMJDY-LSDHHAIUSA-N 2 1 309.404 3.418 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1ccc(Cl)cc1 ZINC001654838096 1195846890 /nfs/dbraw/zinc/84/68/90/1195846890.db2.gz OSBOUIFKLKNPKL-HNNXBMFYSA-N 2 1 315.848 3.488 20 0 DGADMP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC001655282805 1195899548 /nfs/dbraw/zinc/89/95/48/1195899548.db2.gz PAYPDZKMMXOAFE-ZACQAIPSSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC001655282805 1195899551 /nfs/dbraw/zinc/89/95/51/1195899551.db2.gz PAYPDZKMMXOAFE-ZACQAIPSSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)C1 ZINC001655282689 1195899821 /nfs/dbraw/zinc/89/98/21/1195899821.db2.gz LOJTYCRVPHWRAQ-FXAWDEMLSA-N 2 1 316.489 3.435 20 0 DGADMP CCCn1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC001655298537 1195901093 /nfs/dbraw/zinc/90/10/93/1195901093.db2.gz CTERBHSRKHZSEO-CALCHBBNSA-N 2 1 320.525 3.449 20 0 DGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC(C)(C)CO1 ZINC001655403629 1195912992 /nfs/dbraw/zinc/91/29/92/1195912992.db2.gz VHHCHTSTPCGYSD-GOSISDBHSA-N 2 1 310.526 3.491 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655420909 1195915450 /nfs/dbraw/zinc/91/54/50/1195915450.db2.gz HTHMGUXIWCTUSO-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655420909 1195915454 /nfs/dbraw/zinc/91/54/54/1195915454.db2.gz HTHMGUXIWCTUSO-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1nccc2c1CCCC2)C(C)(C)C ZINC001655606439 1195939097 /nfs/dbraw/zinc/93/90/97/1195939097.db2.gz NJPUFANJLLGWLR-SFHVURJKSA-N 2 1 303.494 3.416 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656574169 1196051189 /nfs/dbraw/zinc/05/11/89/1196051189.db2.gz PXHUUWVDGKLASU-WTGUMLROSA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656574169 1196051192 /nfs/dbraw/zinc/05/11/92/1196051192.db2.gz PXHUUWVDGKLASU-WTGUMLROSA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001656574169 1196051193 /nfs/dbraw/zinc/05/11/93/1196051193.db2.gz PXHUUWVDGKLASU-WTGUMLROSA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001656574169 1196051196 /nfs/dbraw/zinc/05/11/96/1196051196.db2.gz PXHUUWVDGKLASU-WTGUMLROSA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC001656582948 1196052267 /nfs/dbraw/zinc/05/22/67/1196052267.db2.gz BVKRUWQPNCIJFM-JYYAWHABSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC001656582948 1196052268 /nfs/dbraw/zinc/05/22/68/1196052268.db2.gz BVKRUWQPNCIJFM-JYYAWHABSA-N 2 1 308.491 3.288 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001656632606 1196056543 /nfs/dbraw/zinc/05/65/43/1196056543.db2.gz GKIKUIJTAQKLND-SUMWQHHRSA-N 2 1 302.466 3.231 20 0 DGADMP COc1cc(C)c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC001656795212 1196071711 /nfs/dbraw/zinc/07/17/11/1196071711.db2.gz WSYPSRGMVBANQG-INIZCTEOSA-N 2 1 319.493 3.451 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001656802226 1196072622 /nfs/dbraw/zinc/07/26/22/1196072622.db2.gz WPIIVETUFDBBGY-ROUUACIJSA-N 2 1 302.462 3.438 20 0 DGADMP CC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(C)c1 ZINC001656806051 1196072687 /nfs/dbraw/zinc/07/26/87/1196072687.db2.gz QZWKIMDEUOPEGX-KRWDZBQOSA-N 2 1 313.445 3.403 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001656889950 1196079855 /nfs/dbraw/zinc/07/98/55/1196079855.db2.gz RSAJERWRBCMFDD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC001656947453 1196085604 /nfs/dbraw/zinc/08/56/04/1196085604.db2.gz YYVKPBHAQKROQB-JTDSTZFVSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)CC2 ZINC001656947453 1196085607 /nfs/dbraw/zinc/08/56/07/1196085607.db2.gz YYVKPBHAQKROQB-JTDSTZFVSA-N 2 1 316.489 3.263 20 0 DGADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C ZINC001657149403 1196111269 /nfs/dbraw/zinc/11/12/69/1196111269.db2.gz MSGGOUNGWWKCEX-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC000072726224 1196111975 /nfs/dbraw/zinc/11/19/75/1196111975.db2.gz QEOFEPSRBPUESH-UHFFFAOYSA-N 2 1 310.441 3.320 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC001657224680 1196120725 /nfs/dbraw/zinc/12/07/25/1196120725.db2.gz FSNGTJAFFVGASR-QGZVFWFLSA-N 2 1 322.493 3.212 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC001657229610 1196120936 /nfs/dbraw/zinc/12/09/36/1196120936.db2.gz PDEQGOPBVBCAGW-PXNSSMCTSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC001657229610 1196120939 /nfs/dbraw/zinc/12/09/39/1196120939.db2.gz PDEQGOPBVBCAGW-PXNSSMCTSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC001657229610 1196120943 /nfs/dbraw/zinc/12/09/43/1196120943.db2.gz PDEQGOPBVBCAGW-PXNSSMCTSA-N 2 1 314.473 3.452 20 0 DGADMP CCc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001657323531 1196130449 /nfs/dbraw/zinc/13/04/49/1196130449.db2.gz SWEKEPXUBSGYTI-UHFFFAOYSA-N 2 1 324.472 3.414 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC001657342531 1196132422 /nfs/dbraw/zinc/13/24/22/1196132422.db2.gz QGLSAQJWIQHPBB-FQEVSTJZSA-N 2 1 316.489 3.497 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC001657365045 1196134890 /nfs/dbraw/zinc/13/48/90/1196134890.db2.gz KXKAZDHJICCZPX-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC001657365045 1196134892 /nfs/dbraw/zinc/13/48/92/1196134892.db2.gz KXKAZDHJICCZPX-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657427783 1196139585 /nfs/dbraw/zinc/13/95/85/1196139585.db2.gz KDDOGPYIERFVJT-UYAOXDASSA-N 2 1 318.505 3.194 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1cc(CO)ccn1 ZINC001657563205 1196155297 /nfs/dbraw/zinc/15/52/97/1196155297.db2.gz NIKQPRXBKIYQGW-UHFFFAOYSA-N 2 1 313.445 3.144 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027765 1196203498 /nfs/dbraw/zinc/20/34/98/1196203498.db2.gz LTCLXDASGAHASS-MAUKXSAKSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027765 1196203507 /nfs/dbraw/zinc/20/35/07/1196203507.db2.gz LTCLXDASGAHASS-MAUKXSAKSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027765 1196203512 /nfs/dbraw/zinc/20/35/12/1196203512.db2.gz LTCLXDASGAHASS-MAUKXSAKSA-N 2 1 308.416 3.314 20 0 DGADMP CC[N@@H+]1CCC[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000395 1196330573 /nfs/dbraw/zinc/33/05/73/1196330573.db2.gz ANSNUGPIYVHIDZ-DLBZAZTESA-N 2 1 309.885 3.017 20 0 DGADMP CC[N@H+]1CCC[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000395 1196330578 /nfs/dbraw/zinc/33/05/78/1196330578.db2.gz ANSNUGPIYVHIDZ-DLBZAZTESA-N 2 1 309.885 3.017 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)c(OC)n2)CC1 ZINC001659034840 1196334201 /nfs/dbraw/zinc/33/42/01/1196334201.db2.gz ZVKJMVVBBRULRL-UHFFFAOYSA-N 2 1 319.493 3.343 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054739 1196338231 /nfs/dbraw/zinc/33/82/31/1196338231.db2.gz RZOAZPWBBAAUGG-LPHOPBHVSA-N 2 1 314.473 3.460 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054739 1196338234 /nfs/dbraw/zinc/33/82/34/1196338234.db2.gz RZOAZPWBBAAUGG-LPHOPBHVSA-N 2 1 314.473 3.460 20 0 DGADMP Cc1[nH]c2ccccc2c1SCC[NH2+]C1CC[NH+](C)CC1 ZINC001659122271 1196348112 /nfs/dbraw/zinc/34/81/12/1196348112.db2.gz KYMUTIDXGZWGML-UHFFFAOYSA-N 2 1 303.475 3.252 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1N(C)C ZINC001659135919 1196349893 /nfs/dbraw/zinc/34/98/93/1196349893.db2.gz LITJCTREBFVPPD-OHRKKDJYSA-N 2 1 305.441 3.168 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1N(C)C ZINC001659135919 1196349895 /nfs/dbraw/zinc/34/98/95/1196349895.db2.gz LITJCTREBFVPPD-OHRKKDJYSA-N 2 1 305.441 3.168 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCC3)cc1 ZINC001659694505 1196406504 /nfs/dbraw/zinc/40/65/04/1196406504.db2.gz AOLMOPGMVWVQSF-UHFFFAOYSA-N 2 1 310.441 3.315 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC001659734194 1196409720 /nfs/dbraw/zinc/40/97/20/1196409720.db2.gz SWDFDDDROIHNPP-LPHOPBHVSA-N 2 1 303.494 3.375 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC001659734195 1196410048 /nfs/dbraw/zinc/41/00/48/1196410048.db2.gz SWDFDDDROIHNPP-QFBILLFUSA-N 2 1 303.494 3.375 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc2nsnc21 ZINC001659734150 1196410073 /nfs/dbraw/zinc/41/00/73/1196410073.db2.gz RZIBWTBCVMQGOZ-BBRMVZONSA-N 2 1 318.490 3.244 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2nsnc21 ZINC001659734150 1196410077 /nfs/dbraw/zinc/41/00/77/1196410077.db2.gz RZIBWTBCVMQGOZ-BBRMVZONSA-N 2 1 318.490 3.244 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCc2cccnc2)CC1 ZINC001659785573 1196413930 /nfs/dbraw/zinc/41/39/30/1196413930.db2.gz RFNPQOWGPQENPU-LJQANCHMSA-N 2 1 301.478 3.211 20 0 DGADMP CCc1cccc(F)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001659919178 1196428330 /nfs/dbraw/zinc/42/83/30/1196428330.db2.gz XENSRPCKJVLHAC-OAHLLOKOSA-N 2 1 313.420 3.494 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805065 1196527745 /nfs/dbraw/zinc/52/77/45/1196527745.db2.gz HFBAVMNJRIREMS-MJGOQNOKSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805065 1196527749 /nfs/dbraw/zinc/52/77/49/1196527749.db2.gz HFBAVMNJRIREMS-MJGOQNOKSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC001660850400 1196534587 /nfs/dbraw/zinc/53/45/87/1196534587.db2.gz RTCPNJSDSNOMKK-UHFFFAOYSA-N 2 1 304.478 3.074 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC001660893567 1196539727 /nfs/dbraw/zinc/53/97/27/1196539727.db2.gz KGIURTPDLMFNSL-UHFFFAOYSA-N 2 1 315.486 3.373 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)[C@@H]2C1 ZINC001660928797 1196543694 /nfs/dbraw/zinc/54/36/94/1196543694.db2.gz IXAFVRVJYCKDOL-MAIIPRFSSA-N 2 1 306.400 3.141 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001660933233 1196544544 /nfs/dbraw/zinc/54/45/44/1196544544.db2.gz IXXKBSZYYPFCKI-BGYRXZFFSA-N 2 1 313.489 3.345 20 0 DGADMP CNc1ccc(C)cc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001660933233 1196544546 /nfs/dbraw/zinc/54/45/46/1196544546.db2.gz IXXKBSZYYPFCKI-BGYRXZFFSA-N 2 1 313.489 3.345 20 0 DGADMP CNc1ccc(C)cc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001660933233 1196544549 /nfs/dbraw/zinc/54/45/49/1196544549.db2.gz IXXKBSZYYPFCKI-BGYRXZFFSA-N 2 1 313.489 3.345 20 0 DGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001661482311 1196610432 /nfs/dbraw/zinc/61/04/32/1196610432.db2.gz IDNKQDYWMKWNPT-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2nccn21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188195 1196692052 /nfs/dbraw/zinc/69/20/52/1196692052.db2.gz PBZDGFGVHKAPKR-HOTGVXAUSA-N 2 1 312.461 3.077 20 0 DGADMP C[C@H](CC[NH2+]Cc1cnn(-c2ccccc2)c1)[NH+]1CCCCC1 ZINC001662194316 1196692880 /nfs/dbraw/zinc/69/28/80/1196692880.db2.gz TZKUPLPMDQHSRZ-QGZVFWFLSA-N 2 1 312.461 3.226 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OC ZINC000078889890 1196812157 /nfs/dbraw/zinc/81/21/57/1196812157.db2.gz GUWKWMZMLYIYIX-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@@H](C)C[N@@H+](CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001663403413 1196858340 /nfs/dbraw/zinc/85/83/40/1196858340.db2.gz GGOWCJMVPXKZIU-CYBMUJFWSA-N 2 1 305.466 3.105 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780373 1196944211 /nfs/dbraw/zinc/94/42/11/1196944211.db2.gz BADOMDOZKIBVMG-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780373 1196944212 /nfs/dbraw/zinc/94/42/12/1196944212.db2.gz BADOMDOZKIBVMG-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780373 1196944215 /nfs/dbraw/zinc/94/42/15/1196944215.db2.gz BADOMDOZKIBVMG-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)CCCO2 ZINC001663780373 1196944216 /nfs/dbraw/zinc/94/42/16/1196944216.db2.gz BADOMDOZKIBVMG-SFHVURJKSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@@H](CC1CCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001663998092 1196963331 /nfs/dbraw/zinc/96/33/31/1196963331.db2.gz MHEPPKICGNWVOD-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2Cl)CC1 ZINC001664095983 1196970987 /nfs/dbraw/zinc/97/09/87/1196970987.db2.gz ZLXGFTWZWLGFCW-UHFFFAOYSA-N 2 1 310.869 3.383 20 0 DGADMP COc1ccc(SCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC001664301135 1196988370 /nfs/dbraw/zinc/98/83/70/1196988370.db2.gz JFXFLFCXUOTFPJ-OAHLLOKOSA-N 2 1 308.491 3.203 20 0 DGADMP COc1ccc(SCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC001664301135 1196988371 /nfs/dbraw/zinc/98/83/71/1196988371.db2.gz JFXFLFCXUOTFPJ-OAHLLOKOSA-N 2 1 308.491 3.203 20 0 DGADMP CC(C)(C)OC(=O)C1CC(N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001665277150 1197117500 /nfs/dbraw/zinc/11/75/00/1197117500.db2.gz JCBAYEGLIQUWJZ-PCKAHOCUSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)C1CC([NH2+][C@H]2CCN(C3CCCCC3)C2)C1 ZINC001665277150 1197117503 /nfs/dbraw/zinc/11/75/03/1197117503.db2.gz JCBAYEGLIQUWJZ-PCKAHOCUSA-N 2 1 322.493 3.103 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC001665434755 1197137239 /nfs/dbraw/zinc/13/72/39/1197137239.db2.gz TYWIIRWVCVLCMA-ZULIPRJHSA-N 2 1 318.505 3.405 20 0 DGADMP COc1ccc(SCC[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC001665528403 1197147648 /nfs/dbraw/zinc/14/76/48/1197147648.db2.gz BJHSDWZPHLJYMG-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP COC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCCCCC1 ZINC001665546190 1197150209 /nfs/dbraw/zinc/15/02/09/1197150209.db2.gz DSMABHDTHGDTHG-QGZVFWFLSA-N 2 1 317.477 3.332 20 0 DGADMP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001666976440 1197304485 /nfs/dbraw/zinc/30/44/85/1197304485.db2.gz DUGVYQQLKNNPOY-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCC[C@H](CNCc2cnc(-c3cccs3)s2)C1 ZINC000083455864 1197429679 /nfs/dbraw/zinc/42/96/79/1197429679.db2.gz VDKZTBAHJVASIX-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000083455864 1197429683 /nfs/dbraw/zinc/42/96/83/1197429683.db2.gz VDKZTBAHJVASIX-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000380955254 1197703144 /nfs/dbraw/zinc/70/31/44/1197703144.db2.gz UCULWDHOINLFHT-INIZCTEOSA-N 2 1 301.459 3.145 20 0 DGADMP c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000380955254 1197703150 /nfs/dbraw/zinc/70/31/50/1197703150.db2.gz UCULWDHOINLFHT-INIZCTEOSA-N 2 1 301.459 3.145 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001673954044 1197711975 /nfs/dbraw/zinc/71/19/75/1197711975.db2.gz ZZNRPRBWWVUKRH-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001674155126 1197739978 /nfs/dbraw/zinc/73/99/78/1197739978.db2.gz OCHHTYBZHKIJRV-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)CC1 ZINC000090602861 1198218106 /nfs/dbraw/zinc/21/81/06/1198218106.db2.gz NTBKAHPNFQHVAU-RTBURBONSA-N 2 1 302.462 3.198 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000103344487 1199490615 /nfs/dbraw/zinc/49/06/15/1199490615.db2.gz AUWBIWPHZRKIDS-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000303230025 1199589376 /nfs/dbraw/zinc/58/93/76/1199589376.db2.gz SXABLDWMGULCQO-MHJFOBGBSA-N 2 1 315.505 3.113 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000108428849 1199604741 /nfs/dbraw/zinc/60/47/41/1199604741.db2.gz ZOQSLVGXNNDDNY-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000311903634 1199746272 /nfs/dbraw/zinc/74/62/72/1199746272.db2.gz YPCAWFFFMXNDQW-BBRMVZONSA-N 2 1 323.278 3.066 20 0 DGADMP CCCOc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000318859837 1199835370 /nfs/dbraw/zinc/83/53/70/1199835370.db2.gz OTGRLAYTROBKSA-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)n2c1 ZINC000120820190 1200173698 /nfs/dbraw/zinc/17/36/98/1200173698.db2.gz KKOXUSALUITNOB-KRWDZBQOSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)n2c1 ZINC000120820190 1200173704 /nfs/dbraw/zinc/17/37/04/1200173704.db2.gz KKOXUSALUITNOB-KRWDZBQOSA-N 2 1 314.477 3.100 20 0 DGADMP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754326155 1200216868 /nfs/dbraw/zinc/21/68/68/1200216868.db2.gz DLLQRPZKHVIIFL-VDZMMWBESA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000121804878 1200239096 /nfs/dbraw/zinc/23/90/96/1200239096.db2.gz VEKBMRQSCKTAFW-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000121804878 1200239099 /nfs/dbraw/zinc/23/90/99/1200239099.db2.gz VEKBMRQSCKTAFW-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000121819520 1200239155 /nfs/dbraw/zinc/23/91/55/1200239155.db2.gz PWAUHQWQLXGEDJ-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000121805847 1200239257 /nfs/dbraw/zinc/23/92/57/1200239257.db2.gz VRRHTSNMMNSKBD-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000121805847 1200239263 /nfs/dbraw/zinc/23/92/63/1200239263.db2.gz VRRHTSNMMNSKBD-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000125656148 1200452877 /nfs/dbraw/zinc/45/28/77/1200452877.db2.gz QLFRJEZXDKCVTL-ZDUSSCGKSA-N 2 1 305.447 3.143 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000125656148 1200452882 /nfs/dbraw/zinc/45/28/82/1200452882.db2.gz QLFRJEZXDKCVTL-ZDUSSCGKSA-N 2 1 305.447 3.143 20 0 DGADMP CC[N@H+]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2OC)C1 ZINC000126641637 1200592871 /nfs/dbraw/zinc/59/28/71/1200592871.db2.gz VLQNNZKJJXOJKU-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001755162312 1200668868 /nfs/dbraw/zinc/66/88/68/1200668868.db2.gz SSVVFKYQKFGZJY-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755162312 1200668872 /nfs/dbraw/zinc/66/88/72/1200668872.db2.gz SSVVFKYQKFGZJY-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755162312 1200668874 /nfs/dbraw/zinc/66/88/74/1200668874.db2.gz SSVVFKYQKFGZJY-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000131096610 1201111819 /nfs/dbraw/zinc/11/18/19/1201111819.db2.gz ZXHFTNSAIHHAOH-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131815804 1201160120 /nfs/dbraw/zinc/16/01/20/1201160120.db2.gz JBSUQKFGZJESPH-CCNLRDMRSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131815804 1201160128 /nfs/dbraw/zinc/16/01/28/1201160128.db2.gz JBSUQKFGZJESPH-CCNLRDMRSA-N 2 1 302.462 3.318 20 0 DGADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001698734316 1201374253 /nfs/dbraw/zinc/37/42/53/1201374253.db2.gz MJQYHTQMDFINLJ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001700184029 1202200612 /nfs/dbraw/zinc/20/06/12/1202200612.db2.gz IBXQCHUIFGLPFD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001700184029 1202200613 /nfs/dbraw/zinc/20/06/13/1202200613.db2.gz IBXQCHUIFGLPFD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001700184029 1202200614 /nfs/dbraw/zinc/20/06/14/1202200614.db2.gz IBXQCHUIFGLPFD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001700316405 1202233190 /nfs/dbraw/zinc/23/31/90/1202233190.db2.gz ULANDTXCYCQGKM-JKSUJKDBSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001700316405 1202233191 /nfs/dbraw/zinc/23/31/91/1202233191.db2.gz ULANDTXCYCQGKM-JKSUJKDBSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001700316405 1202233193 /nfs/dbraw/zinc/23/31/93/1202233193.db2.gz ULANDTXCYCQGKM-JKSUJKDBSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001700324612 1202237418 /nfs/dbraw/zinc/23/74/18/1202237418.db2.gz WDZXXZDKGMSJGL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000151417916 1202592476 /nfs/dbraw/zinc/59/24/76/1202592476.db2.gz GWMNWENLBHZJJP-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000157239876 1202602223 /nfs/dbraw/zinc/60/22/23/1202602223.db2.gz VHXIJRDOULWXAP-OAHLLOKOSA-N 2 1 318.461 3.229 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234329544 1202603460 /nfs/dbraw/zinc/60/34/60/1202603460.db2.gz IMQWKWNOXZXQSF-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234329544 1202603461 /nfs/dbraw/zinc/60/34/61/1202603461.db2.gz IMQWKWNOXZXQSF-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C)C3)cc2)CC1 ZINC000236963587 1202638601 /nfs/dbraw/zinc/63/86/01/1202638601.db2.gz LJLROLWMWRMCOK-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1nc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000237714986 1202691945 /nfs/dbraw/zinc/69/19/45/1202691945.db2.gz SJBNIMCVVMZDNK-UHFFFAOYSA-N 2 1 315.486 3.248 20 0 DGADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001714310834 1202876996 /nfs/dbraw/zinc/87/69/96/1202876996.db2.gz HRCRGOGZSKVGCI-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001717856351 1203722836 /nfs/dbraw/zinc/72/28/36/1203722836.db2.gz RUOSVKYDUNVERB-DOTOQJQBSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001717856351 1203722837 /nfs/dbraw/zinc/72/28/37/1203722837.db2.gz RUOSVKYDUNVERB-DOTOQJQBSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001717856351 1203722838 /nfs/dbraw/zinc/72/28/38/1203722838.db2.gz RUOSVKYDUNVERB-DOTOQJQBSA-N 2 1 323.525 3.019 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC000167409570 1203819820 /nfs/dbraw/zinc/81/98/20/1203819820.db2.gz UOWFWPKMHRPWBH-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CCCCC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001732237631 1204765391 /nfs/dbraw/zinc/76/53/91/1204765391.db2.gz RQJBRGHWGLAXPJ-CALCHBBNSA-N 2 1 323.525 3.068 20 0 DGADMP CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001732328278 1204793173 /nfs/dbraw/zinc/79/31/73/1204793173.db2.gz XXPRVMUGEYIJQP-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001733217156 1205049951 /nfs/dbraw/zinc/04/99/51/1205049951.db2.gz RBTWYMLOVSIRMC-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733217156 1205049955 /nfs/dbraw/zinc/04/99/55/1205049955.db2.gz RBTWYMLOVSIRMC-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001733217156 1205049958 /nfs/dbraw/zinc/04/99/58/1205049958.db2.gz RBTWYMLOVSIRMC-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001733361815 1205106641 /nfs/dbraw/zinc/10/66/41/1205106641.db2.gz JFIJCBSTNNTWQH-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001733765415 1205204557 /nfs/dbraw/zinc/20/45/57/1205204557.db2.gz VWAIXEGWAFLCIX-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001733765415 1205204559 /nfs/dbraw/zinc/20/45/59/1205204559.db2.gz VWAIXEGWAFLCIX-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001733765415 1205204561 /nfs/dbraw/zinc/20/45/61/1205204561.db2.gz VWAIXEGWAFLCIX-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(NCC23CC[NH+](CC2)CC3)nc1 ZINC001169796131 1081656669 /nfs/dbraw/zinc/65/66/69/1081656669.db2.gz WSLAZWUCUFAGBS-QGZVFWFLSA-N 2 1 314.477 3.136 20 0 DGADMP Fc1ccc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC000705545678 1081687550 /nfs/dbraw/zinc/68/75/50/1081687550.db2.gz HHTIPPHCYHGCLI-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206810615 1081695648 /nfs/dbraw/zinc/69/56/48/1081695648.db2.gz PHHUKRQEPOPIRM-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206810615 1081695649 /nfs/dbraw/zinc/69/56/49/1081695649.db2.gz PHHUKRQEPOPIRM-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169973962 1081745635 /nfs/dbraw/zinc/74/56/35/1081745635.db2.gz XIJZALPPMVGRCE-HNNXBMFYSA-N 2 1 311.514 3.251 20 0 DGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714521 1081902369 /nfs/dbraw/zinc/90/23/69/1081902369.db2.gz NONJNAVDALGEEP-XDNAFOTISA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC ZINC001109968611 1081940866 /nfs/dbraw/zinc/94/08/66/1081940866.db2.gz GJHRVXUUEFARGP-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(F)ccc1N(C)C)C[NH+]1CCCCC1 ZINC001648882463 1081953577 /nfs/dbraw/zinc/95/35/77/1081953577.db2.gz OZXSBYQQRFBZSZ-OAHLLOKOSA-N 2 1 307.457 3.103 20 0 DGADMP C[N@H+]1CCc2ncc(NC3=CC[C@H]([NH+]4CCCC4)CC3)cc2C1 ZINC001210705809 1082009694 /nfs/dbraw/zinc/00/96/94/1082009694.db2.gz QXNIEINJDMIUFF-SFHVURJKSA-N 2 1 312.461 3.014 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194185 1082304308 /nfs/dbraw/zinc/30/43/08/1082304308.db2.gz MQZCXKICSYGEOB-DSLXNQLJSA-N 2 1 317.477 3.111 20 0 DGADMP C[NH+]1C(C)(C)CC(Nc2nc(NCC3CC3)cc[nH+]2)CC1(C)C ZINC001170448353 1082471646 /nfs/dbraw/zinc/47/16/46/1082471646.db2.gz WAGGEXHIITWMJU-UHFFFAOYSA-N 2 1 317.481 3.362 20 0 DGADMP CCCNc1cc[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170447933 1082471751 /nfs/dbraw/zinc/47/17/51/1082471751.db2.gz NFDACXTWNWBQSO-UHFFFAOYSA-N 2 1 305.470 3.362 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000690736618 1082488067 /nfs/dbraw/zinc/48/80/67/1082488067.db2.gz BOZQUSMNOCEZLA-JTQLQIEISA-N 2 1 317.658 3.273 20 0 DGADMP CC1(C[N@@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC000707956959 1082502734 /nfs/dbraw/zinc/50/27/34/1082502734.db2.gz RBADVYXGHUSVKU-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP CC1(C[N@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC000707956959 1082502737 /nfs/dbraw/zinc/50/27/37/1082502737.db2.gz RBADVYXGHUSVKU-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000689855595 1082736300 /nfs/dbraw/zinc/73/63/00/1082736300.db2.gz YFFZTSYBIAZMDS-RLLQIKCJSA-N 2 1 316.489 3.303 20 0 DGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132154095 1082827573 /nfs/dbraw/zinc/82/75/73/1082827573.db2.gz WZJAEQSNSPEGNU-VEUZHWNKSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132154095 1082827577 /nfs/dbraw/zinc/82/75/77/1082827577.db2.gz WZJAEQSNSPEGNU-VEUZHWNKSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132154095 1082827582 /nfs/dbraw/zinc/82/75/82/1082827582.db2.gz WZJAEQSNSPEGNU-VEUZHWNKSA-N 2 1 323.525 3.042 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548820 1082943403 /nfs/dbraw/zinc/94/34/03/1082943403.db2.gz JOTFCLPYLNNYMB-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794641 1083000922 /nfs/dbraw/zinc/00/09/22/1083000922.db2.gz CKRFPLCYBXQRFS-GOSISDBHSA-N 2 1 323.525 3.070 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001352849525 1083120458 /nfs/dbraw/zinc/12/04/58/1083120458.db2.gz MMHNELIJGOCHSX-KZDUYQQSSA-N 2 1 304.415 3.172 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267621921 1083223702 /nfs/dbraw/zinc/22/37/02/1083223702.db2.gz BIGKAAUFMBOWMX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267621921 1083223705 /nfs/dbraw/zinc/22/37/05/1083223705.db2.gz BIGKAAUFMBOWMX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267621921 1083223709 /nfs/dbraw/zinc/22/37/09/1083223709.db2.gz BIGKAAUFMBOWMX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170753365 1083298592 /nfs/dbraw/zinc/29/85/92/1083298592.db2.gz OURHQRRCPAGJQJ-VQHPVUNQSA-N 2 1 320.521 3.433 20 0 DGADMP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772457 1083329781 /nfs/dbraw/zinc/32/97/81/1083329781.db2.gz DLXAKPDRTYSZLU-CVEARBPZSA-N 2 1 313.530 3.170 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCN(C)C)CC2CCCCC2)CC1 ZINC001181472299 1083473105 /nfs/dbraw/zinc/47/31/05/1083473105.db2.gz OAFVXSVZZHUGFE-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001167751350 1083622622 /nfs/dbraw/zinc/62/26/22/1083622622.db2.gz JWUSGBYFFWUIOI-LLVKDONJSA-N 2 1 316.371 3.359 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1cnccc1/C=C/[NH+](C)C ZINC001167754015 1083632109 /nfs/dbraw/zinc/63/21/09/1083632109.db2.gz OONOYDORRUMAFU-IDJPSDCMSA-N 2 1 302.466 3.290 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000695891519 1083649072 /nfs/dbraw/zinc/64/90/72/1083649072.db2.gz KIRWGJFVQKVPRQ-CQSZACIVSA-N 2 1 321.465 3.463 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC001183065483 1083871084 /nfs/dbraw/zinc/87/10/84/1083871084.db2.gz LWTDCXUOPMZOEK-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC001183065483 1083871094 /nfs/dbraw/zinc/87/10/94/1083871094.db2.gz LWTDCXUOPMZOEK-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCO[C@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC001183754756 1084026090 /nfs/dbraw/zinc/02/60/90/1084026090.db2.gz JWXDTVFMHNSBSL-OAHLLOKOSA-N 2 1 319.276 3.092 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205288155 1084088178 /nfs/dbraw/zinc/08/81/78/1084088178.db2.gz HAMQMZAJPSWPQV-OAHLLOKOSA-N 2 1 302.340 3.130 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205288155 1084088188 /nfs/dbraw/zinc/08/81/88/1084088188.db2.gz HAMQMZAJPSWPQV-OAHLLOKOSA-N 2 1 302.340 3.130 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccnc3F)C[C@@H]2C1 ZINC001184302823 1084141881 /nfs/dbraw/zinc/14/18/81/1084141881.db2.gz NEJBSQAYSONOBU-RWMBFGLXSA-N 2 1 311.832 3.036 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001167834154 1084149588 /nfs/dbraw/zinc/14/95/88/1084149588.db2.gz IHYGXAOZXQXNCG-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001167835226 1084156468 /nfs/dbraw/zinc/15/64/68/1084156468.db2.gz PIIIUEVOAZXEPD-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC001205296848 1084184399 /nfs/dbraw/zinc/18/43/99/1084184399.db2.gz UZGRATOAWLGLHG-WCQYABFASA-N 2 1 301.261 3.453 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205303178 1084225902 /nfs/dbraw/zinc/22/59/02/1084225902.db2.gz AMLUHDLXPRMDOK-OCCSQVGLSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205303178 1084225908 /nfs/dbraw/zinc/22/59/08/1084225908.db2.gz AMLUHDLXPRMDOK-OCCSQVGLSA-N 2 1 300.368 3.431 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167911830 1084620939 /nfs/dbraw/zinc/62/09/39/1084620939.db2.gz DHDLONWSRTYUFU-IZZQQSIFSA-N 2 1 314.473 3.090 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)C[NH+]1CCCC1 ZINC000168084518 1084687756 /nfs/dbraw/zinc/68/77/56/1084687756.db2.gz NAIISGOKFMQDKO-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP Cc1cc(OCc2ccccc2)ncc1NC(=[NH2+])SCC[NH3+] ZINC001167916690 1084713171 /nfs/dbraw/zinc/71/31/71/1084713171.db2.gz WHWPTMHRTBEBKH-UHFFFAOYSA-N 2 1 316.430 3.008 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001482026446 1084777260 /nfs/dbraw/zinc/77/72/60/1084777260.db2.gz UXTPHVYZITVBSV-VPLLLXJESA-N 2 1 323.525 3.066 20 0 DGADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)c1 ZINC001167940891 1084881996 /nfs/dbraw/zinc/88/19/96/1084881996.db2.gz NTJUUUPLVWCGQJ-REPLKXPHSA-N 2 1 311.473 3.168 20 0 DGADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167961283 1085705249 /nfs/dbraw/zinc/70/52/49/1085705249.db2.gz HDILAVSTFMPJJL-RAFMOHDBSA-N 2 1 314.473 3.105 20 0 DGADMP [NH3+]CCc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963876 1085821651 /nfs/dbraw/zinc/82/16/51/1085821651.db2.gz GUTFDCMNGAYGGH-SJPCQFCGSA-N 2 1 324.472 3.115 20 0 DGADMP [NH3+][C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc21 ZINC001167968579 1085897095 /nfs/dbraw/zinc/89/70/95/1085897095.db2.gz RUZFANFZIDCYTR-RZRMAFQFSA-N 2 1 311.473 3.302 20 0 DGADMP c1ncn(C2CCC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975183 1085919302 /nfs/dbraw/zinc/91/93/02/1085919302.db2.gz KVALSEZMSHQQKP-ZNXRZULTSA-N 2 1 314.477 3.103 20 0 DGADMP c1ncn(C2CCC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975183 1085919313 /nfs/dbraw/zinc/91/93/13/1085919313.db2.gz KVALSEZMSHQQKP-ZNXRZULTSA-N 2 1 314.477 3.103 20 0 DGADMP COCCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996129 1086068123 /nfs/dbraw/zinc/06/81/23/1086068123.db2.gz XBCMWCMNWPOQAA-DFNIBXOVSA-N 2 1 306.494 3.140 20 0 DGADMP CC(C)[N@@H+](C1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001810 1086107694 /nfs/dbraw/zinc/10/76/94/1086107694.db2.gz IBMJYDAPSPVUEB-YOFSQIOKSA-N 2 1 319.537 3.196 20 0 DGADMP CC(C)[NH+](C1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001810 1086107702 /nfs/dbraw/zinc/10/77/02/1086107702.db2.gz IBMJYDAPSPVUEB-YOFSQIOKSA-N 3 1 319.537 3.196 20 0 DGADMP CC(C)[NH+](C1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001810 1086107707 /nfs/dbraw/zinc/10/77/07/1086107707.db2.gz IBMJYDAPSPVUEB-YOFSQIOKSA-N 3 1 319.537 3.196 20 0 DGADMP CC(C)[N@@H+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002108 1086111087 /nfs/dbraw/zinc/11/10/87/1086111087.db2.gz MCGLBBKHZCFMRJ-DFNIBXOVSA-N 2 1 306.494 3.281 20 0 DGADMP CC(C)[NH+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002108 1086111091 /nfs/dbraw/zinc/11/10/91/1086111091.db2.gz MCGLBBKHZCFMRJ-DFNIBXOVSA-N 2 1 306.494 3.281 20 0 DGADMP CC(C)[NH+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002108 1086111096 /nfs/dbraw/zinc/11/10/96/1086111096.db2.gz MCGLBBKHZCFMRJ-DFNIBXOVSA-N 2 1 306.494 3.281 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CCO1 ZINC001204755721 1086161179 /nfs/dbraw/zinc/16/11/79/1086161179.db2.gz HTVRXWPSBQJZJM-KRWDZBQOSA-N 2 1 314.404 3.042 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CCO1 ZINC001204755721 1086161184 /nfs/dbraw/zinc/16/11/84/1086161184.db2.gz HTVRXWPSBQJZJM-KRWDZBQOSA-N 2 1 314.404 3.042 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009258 1086177335 /nfs/dbraw/zinc/17/73/35/1086177335.db2.gz ZQYBCNCKJZZTCB-ALXJQNPVSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@@H](n2ccc(C[NH3+])cc2=N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017061 1086308688 /nfs/dbraw/zinc/30/86/88/1086308688.db2.gz WUHHNDTWVXCRKC-HGKCTWBKSA-N 2 1 324.472 3.040 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cccnc2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030792 1086456476 /nfs/dbraw/zinc/45/64/76/1086456476.db2.gz XPUCFTKHPCTSQU-ALXJQNPVSA-N 2 1 324.472 3.394 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCCOCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039345 1086498387 /nfs/dbraw/zinc/49/83/87/1086498387.db2.gz DNCWXDZFHDCMBB-IAGOWNOFSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1CC([N@H+]2CCCOCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039345 1086498389 /nfs/dbraw/zinc/49/83/89/1086498389.db2.gz DNCWXDZFHDCMBB-IAGOWNOFSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1CC([NH+]2CCC(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044980 1086520623 /nfs/dbraw/zinc/52/06/23/1086520623.db2.gz HZGVGJKAPUCZOA-IRXDYDNUSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(CO)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044981 1086520644 /nfs/dbraw/zinc/52/06/44/1086520644.db2.gz HZGVGJKAPUCZOA-XEMDLRDOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044981 1086520652 /nfs/dbraw/zinc/52/06/52/1086520652.db2.gz HZGVGJKAPUCZOA-XEMDLRDOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103670 1086888292 /nfs/dbraw/zinc/88/82/92/1086888292.db2.gz SIXJFDBBUHMDQJ-UDTPNQRGSA-N 2 1 320.452 3.465 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C)CC1)C2 ZINC001168212286 1087059204 /nfs/dbraw/zinc/05/92/04/1087059204.db2.gz MPVFHENRNOKOKL-XUUQEUKMSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(C)CC1)C2 ZINC001168212286 1087059210 /nfs/dbraw/zinc/05/92/10/1087059210.db2.gz MPVFHENRNOKOKL-XUUQEUKMSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(C)CC1)C2 ZINC001168212286 1087059215 /nfs/dbraw/zinc/05/92/15/1087059215.db2.gz MPVFHENRNOKOKL-XUUQEUKMSA-N 2 1 320.521 3.245 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001168260758 1087077661 /nfs/dbraw/zinc/07/76/61/1087077661.db2.gz PSJHRNNHKGPQSC-MAUKXSAKSA-N 2 1 302.462 3.003 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC12CCOCC2 ZINC001168276543 1087234200 /nfs/dbraw/zinc/23/42/00/1087234200.db2.gz UNJUZWSUKQTLCO-KRWDZBQOSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC12CCOCC2 ZINC001168276543 1087234206 /nfs/dbraw/zinc/23/42/06/1087234206.db2.gz UNJUZWSUKQTLCO-KRWDZBQOSA-N 2 1 305.466 3.110 20 0 DGADMP C[NH+](C)C1CCC([NH2+]C2(c3ccccc3Cl)COC2)CC1 ZINC001168305895 1087288903 /nfs/dbraw/zinc/28/89/03/1087288903.db2.gz SUMMMPNSUJAVKN-UHFFFAOYSA-N 2 1 308.853 3.028 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001168329540 1087296202 /nfs/dbraw/zinc/29/62/02/1087296202.db2.gz XEOJSJZOSPGURI-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001168329540 1087296204 /nfs/dbraw/zinc/29/62/04/1087296204.db2.gz XEOJSJZOSPGURI-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC001168329202 1087296283 /nfs/dbraw/zinc/29/62/83/1087296283.db2.gz PPXPXJRFGBVOMH-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCO1 ZINC001168338282 1087299174 /nfs/dbraw/zinc/29/91/74/1087299174.db2.gz YROSMUYEDMTTDH-PREGVCBESA-N 2 1 308.853 3.026 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCO1 ZINC001168338282 1087299177 /nfs/dbraw/zinc/29/91/77/1087299177.db2.gz YROSMUYEDMTTDH-PREGVCBESA-N 2 1 308.853 3.026 20 0 DGADMP Cn1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1C(F)(F)F ZINC001168351367 1087304828 /nfs/dbraw/zinc/30/48/28/1087304828.db2.gz QZFBVHWSXXMLOF-UHFFFAOYSA-N 2 1 315.383 3.008 20 0 DGADMP Fc1cc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168365088 1087382535 /nfs/dbraw/zinc/38/25/35/1087382535.db2.gz LHOLAECEJJUSQK-SFHVURJKSA-N 2 1 303.425 3.136 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](CC2CC2)CC1 ZINC001168395261 1087552092 /nfs/dbraw/zinc/55/20/92/1087552092.db2.gz SOLHCGAOAZANAF-UHFFFAOYSA-N 2 1 316.445 3.112 20 0 DGADMP CC1(C)C[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158260115 1087746093 /nfs/dbraw/zinc/74/60/93/1087746093.db2.gz VESRAEVWXBDWPW-RDTXWAMCSA-N 2 1 317.481 3.032 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C(C)(C)C[NH3+])nc1 ZINC001159061069 1088162729 /nfs/dbraw/zinc/16/27/29/1088162729.db2.gz UXTSYDHSYOGRJM-INIZCTEOSA-N 2 1 304.482 3.192 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000699652423 1088247073 /nfs/dbraw/zinc/24/70/73/1088247073.db2.gz APJFLTTWBNESPY-INIZCTEOSA-N 2 1 301.434 3.167 20 0 DGADMP Cc1[nH]c2ccc(Nc3cccnc3OC3CC[NH2+]CC3)cc2[nH+]1 ZINC001159242123 1088250842 /nfs/dbraw/zinc/25/08/42/1088250842.db2.gz NEKCRYYIGADQKW-UHFFFAOYSA-N 2 1 323.400 3.141 20 0 DGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819013 1088373507 /nfs/dbraw/zinc/37/35/07/1088373507.db2.gz KCAWTRQHAUNBLO-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819013 1088373524 /nfs/dbraw/zinc/37/35/24/1088373524.db2.gz KCAWTRQHAUNBLO-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153819013 1088373542 /nfs/dbraw/zinc/37/35/42/1088373542.db2.gz KCAWTRQHAUNBLO-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001235751387 1088394343 /nfs/dbraw/zinc/39/43/43/1088394343.db2.gz XPFRPNODQSZXDH-ZDUSSCGKSA-N 2 1 319.246 3.383 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1C)C1CC[NH2+]CC1 ZINC001235764440 1088398150 /nfs/dbraw/zinc/39/81/50/1088398150.db2.gz CSNFNUUTXPLVPQ-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001159777517 1088479369 /nfs/dbraw/zinc/47/93/69/1088479369.db2.gz MDONBLLLIIEOBS-GFCCVEGCSA-N 2 1 307.319 3.343 20 0 DGADMP COCC[N@H+](Cc1ccc(C)c(Cl)c1C)C1CC[NH2+]CC1 ZINC001235947778 1088487444 /nfs/dbraw/zinc/48/74/44/1088487444.db2.gz GMWIOJXQNUPULY-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP COCC[N@@H+](Cc1ccc(C)c(Cl)c1C)C1CC[NH2+]CC1 ZINC001235947778 1088487452 /nfs/dbraw/zinc/48/74/52/1088487452.db2.gz GMWIOJXQNUPULY-UHFFFAOYSA-N 2 1 310.869 3.157 20 0 DGADMP [NH3+]CCc1ccccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001159997236 1088595193 /nfs/dbraw/zinc/59/51/93/1088595193.db2.gz CMQUDQWNMFWDTQ-UHFFFAOYSA-N 2 1 307.441 3.390 20 0 DGADMP CC(C)(C)c1ccc(NCc2ccccc2N2CC[NH2+]CC2)[nH+]c1 ZINC001160115375 1088644730 /nfs/dbraw/zinc/64/47/30/1088644730.db2.gz HUBCBFDZSNLSSY-UHFFFAOYSA-N 2 1 324.472 3.401 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@@H]2CCCC[NH2+]2)nc1 ZINC001160150624 1088671778 /nfs/dbraw/zinc/67/17/78/1088671778.db2.gz KDSRSKMFWUWTMS-DLBZAZTESA-N 2 1 302.466 3.183 20 0 DGADMP c1cc2c(c(Nc3ccc4c[nH+]ccc4c3)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394355 1088778879 /nfs/dbraw/zinc/77/88/79/1088778879.db2.gz IDDAVCVJLDASRC-QAPCUYQASA-N 2 1 303.365 3.426 20 0 DGADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001154984038 1088872000 /nfs/dbraw/zinc/87/20/00/1088872000.db2.gz DGCFSMXBPNRPFL-JKSUJKDBSA-N 2 1 321.428 3.161 20 0 DGADMP [NH3+][C@H]1CCC[C@@H](Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001154986358 1088874278 /nfs/dbraw/zinc/87/42/78/1088874278.db2.gz RVAWIEVUKCIZPV-UONOGXRCSA-N 2 1 308.857 3.013 20 0 DGADMP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160741106 1088938938 /nfs/dbraw/zinc/93/89/38/1088938938.db2.gz QEJDSHBYWPHFCJ-UONOGXRCSA-N 2 1 309.335 3.496 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)c2cc1F ZINC001155124337 1088962191 /nfs/dbraw/zinc/96/21/91/1088962191.db2.gz UYSALTNGOJJHMO-KRWDZBQOSA-N 2 1 321.371 3.276 20 0 DGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180600 1088992425 /nfs/dbraw/zinc/99/24/25/1088992425.db2.gz HKJYCSKPIMDPAM-SJORKVTESA-N 2 1 313.530 3.124 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CCNc1[nH+]cnc2c1ccn2C1CCCC1 ZINC001160964909 1089048447 /nfs/dbraw/zinc/04/84/47/1089048447.db2.gz SKIWTZHJEIHNEI-CQSZACIVSA-N 2 1 313.449 3.443 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCNc1[nH+]cnc2c1ccn2C1CCCC1 ZINC001160964909 1089048459 /nfs/dbraw/zinc/04/84/59/1089048459.db2.gz SKIWTZHJEIHNEI-CQSZACIVSA-N 2 1 313.449 3.443 20 0 DGADMP COc1cccc(C[N@@H+]2CC[C@H](Nc3cc(C)c(C)c[nH+]3)C2)c1 ZINC001161193177 1089149548 /nfs/dbraw/zinc/14/95/48/1089149548.db2.gz DSKDQVZEZDOIPJ-KRWDZBQOSA-N 2 1 311.429 3.393 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](Nc3cc(C)c(C)c[nH+]3)C2)c1 ZINC001161193177 1089149551 /nfs/dbraw/zinc/14/95/51/1089149551.db2.gz DSKDQVZEZDOIPJ-KRWDZBQOSA-N 2 1 311.429 3.393 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](C(C)C)CC1 ZINC001161496876 1089263542 /nfs/dbraw/zinc/26/35/42/1089263542.db2.gz IYHIQYPDKGNPFB-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001161496876 1089263553 /nfs/dbraw/zinc/26/35/53/1089263553.db2.gz IYHIQYPDKGNPFB-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161496876 1089263567 /nfs/dbraw/zinc/26/35/67/1089263567.db2.gz IYHIQYPDKGNPFB-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCCc1cc(N2CCC([NH3+])(CC3CCC3)CC2)nc(C)[nH+]1 ZINC001161575816 1089293924 /nfs/dbraw/zinc/29/39/24/1089293924.db2.gz FJHUCGZDYCFPRJ-UHFFFAOYSA-N 2 1 302.466 3.225 20 0 DGADMP FC(F)(F)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001161629445 1089322819 /nfs/dbraw/zinc/32/28/19/1089322819.db2.gz APYZXWFBPQBIIH-LBPRGKRZSA-N 2 1 312.339 3.325 20 0 DGADMP CC[N@@H+]1CCCC[C@H]1c1ccc(NCCn2cc[nH+]c2C)nc1 ZINC001156008882 1089342349 /nfs/dbraw/zinc/34/23/49/1089342349.db2.gz FGEYAADAJLZGMD-KRWDZBQOSA-N 2 1 313.449 3.246 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(NCCn2cc[nH+]c2C)nc1 ZINC001156008882 1089342362 /nfs/dbraw/zinc/34/23/62/1089342362.db2.gz FGEYAADAJLZGMD-KRWDZBQOSA-N 2 1 313.449 3.246 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)NCCC1=CC[N@@H+](CC)CC1 ZINC001161683195 1089344285 /nfs/dbraw/zinc/34/42/85/1089344285.db2.gz QITWKAPCRMBAHI-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2N1C(C)(C)CC([NH3+])CC1(C)C ZINC001156774077 1089690222 /nfs/dbraw/zinc/69/02/22/1089690222.db2.gz RMSOIEOTRHIMTQ-UHFFFAOYSA-N 2 1 315.465 3.497 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(C)[C@@]2(C)CCC[NH2+]C2)nc1 ZINC001156976613 1089773038 /nfs/dbraw/zinc/77/30/38/1089773038.db2.gz JWWTTWNMQLENBI-HKUYNNGSSA-N 2 1 316.493 3.207 20 0 DGADMP COc1cc2[nH+]ccn2cc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162908855 1090017676 /nfs/dbraw/zinc/01/76/76/1090017676.db2.gz RWBJDVHBNDLRKL-GFCCVEGCSA-N 2 1 306.369 3.307 20 0 DGADMP COc1ccc2c(C)cc(NC3CC4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001162981534 1090045280 /nfs/dbraw/zinc/04/52/80/1090045280.db2.gz AAEXIKUXLJSUQM-UHFFFAOYSA-N 2 1 311.429 3.496 20 0 DGADMP Cc1cc2ccccc2c(Nc2ccc([C@@H](C[NH3+])CO)cc2)[nH+]1 ZINC001163051757 1090064234 /nfs/dbraw/zinc/06/42/34/1090064234.db2.gz BGTFVRWWBPXXGY-INIZCTEOSA-N 2 1 307.397 3.321 20 0 DGADMP Fc1ccc2c(cc[nH+]c2NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163056052 1090065270 /nfs/dbraw/zinc/06/52/70/1090065270.db2.gz NDCRUGZLDXTWOZ-CQSZACIVSA-N 2 1 324.403 3.397 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163064407 1090068353 /nfs/dbraw/zinc/06/83/53/1090068353.db2.gz XMTCKYHZJXHIFR-HNNXBMFYSA-N 2 1 312.461 3.402 20 0 DGADMP CCC[NH+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)ccc43)C[C@@H]2C1 ZINC001157689186 1090075303 /nfs/dbraw/zinc/07/53/03/1090075303.db2.gz HMYNMBMXKHRCTA-HOTGVXAUSA-N 2 1 311.429 3.021 20 0 DGADMP Cc1cc[nH+]c2cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163284859 1090139214 /nfs/dbraw/zinc/13/92/14/1090139214.db2.gz ONARMYBFCDTSLN-BEFAXECRSA-N 2 1 311.429 3.114 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[NH2+][C@H](C)C2)nc1 ZINC001158186222 1090198019 /nfs/dbraw/zinc/19/80/19/1090198019.db2.gz PQWSZMSRMKWZOE-JFIYKMOQSA-N 2 1 316.493 3.205 20 0 DGADMP Cc1c(C)n(-c2ccc3[nH+]c(N)[nH]c3c2)c2ccc(C[NH3+])cc12 ZINC001163761640 1090251925 /nfs/dbraw/zinc/25/19/25/1090251925.db2.gz RIQIQFKOVAXUMN-UHFFFAOYSA-N 2 1 305.385 3.165 20 0 DGADMP C(=C/c1ccccc1)\C[NH+]1CCN(c2cc3[nH]ccc3c[nH+]2)CC1 ZINC001163846402 1090271590 /nfs/dbraw/zinc/27/15/90/1090271590.db2.gz YMFLHZVZHNAWCY-QPJJXVBHSA-N 2 1 318.424 3.398 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2C1CCCC1 ZINC001164467821 1090427780 /nfs/dbraw/zinc/42/77/80/1090427780.db2.gz NFPUUBJVNBUXLL-ZIAGYGMSSA-N 2 1 313.449 3.110 20 0 DGADMP CCOc1ccnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165084130 1090461694 /nfs/dbraw/zinc/46/16/94/1090461694.db2.gz JLOWYDSLXAOUIH-PKOBYXMFSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165084130 1090461698 /nfs/dbraw/zinc/46/16/98/1090461698.db2.gz JLOWYDSLXAOUIH-PKOBYXMFSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165084130 1090461701 /nfs/dbraw/zinc/46/17/01/1090461701.db2.gz JLOWYDSLXAOUIH-PKOBYXMFSA-N 2 1 323.440 3.191 20 0 DGADMP Cc1cc(NCC2C[NH+](Cc3ccccc3)C2)c2[nH+]ccn2c1 ZINC001165455199 1090522865 /nfs/dbraw/zinc/52/28/65/1090522865.db2.gz VRGWQZCCFNPBKU-UHFFFAOYSA-N 2 1 306.413 3.187 20 0 DGADMP c1cc2c3c([nH]c2c(N2CCC([C@H]4CCC[NH2+]4)CC2)[nH+]1)CCC3 ZINC001166902556 1090674658 /nfs/dbraw/zinc/67/46/58/1090674658.db2.gz VDOACOLDWNMBBQ-MRXNPFEDSA-N 2 1 310.445 3.020 20 0 DGADMP OCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203187583 1090704221 /nfs/dbraw/zinc/70/42/21/1090704221.db2.gz BOTNSRMAUPFDEY-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP COc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203433917 1090734401 /nfs/dbraw/zinc/73/44/01/1090734401.db2.gz CZSDAOIJZIJCQW-WOJBJXKFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203822156 1090813019 /nfs/dbraw/zinc/81/30/19/1090813019.db2.gz BMMRQWVVLNAWBY-PMACEKPBSA-N 2 1 322.452 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(C)=O)cc2)CC1 ZINC001203954106 1090849417 /nfs/dbraw/zinc/84/94/17/1090849417.db2.gz YBSIHNOFMBJAJX-UHFFFAOYSA-N 2 1 318.461 3.308 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(C)=O)cc2)CC1 ZINC001203954106 1090849425 /nfs/dbraw/zinc/84/94/25/1090849425.db2.gz YBSIHNOFMBJAJX-UHFFFAOYSA-N 2 1 318.461 3.308 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204013063 1090868592 /nfs/dbraw/zinc/86/85/92/1090868592.db2.gz FLQOBAZPBOYAOQ-RBUKOAKNSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204013063 1090868601 /nfs/dbraw/zinc/86/86/01/1090868601.db2.gz FLQOBAZPBOYAOQ-RBUKOAKNSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204013063 1090868609 /nfs/dbraw/zinc/86/86/09/1090868609.db2.gz FLQOBAZPBOYAOQ-RBUKOAKNSA-N 2 1 309.457 3.359 20 0 DGADMP Cc1ccc(CN2CCC([N@@H+](C)C3CCOCC3)CC2)s1 ZINC001204033645 1090877249 /nfs/dbraw/zinc/87/72/49/1090877249.db2.gz MXPPTFBUJKIDRR-UHFFFAOYSA-N 2 1 308.491 3.132 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CC[C@H]3C2)cc1 ZINC001204077310 1090894110 /nfs/dbraw/zinc/89/41/10/1090894110.db2.gz OHPMCFBHWBENCN-SFTDATJTSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)CC[C@H]3C2)cc1 ZINC001204077310 1090894117 /nfs/dbraw/zinc/89/41/17/1090894117.db2.gz OHPMCFBHWBENCN-SFTDATJTSA-N 2 1 321.468 3.426 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC001204088536 1090898106 /nfs/dbraw/zinc/89/81/06/1090898106.db2.gz GFFSCKBSABUASQ-BPNCWPANSA-N 2 1 316.417 3.165 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC001204088536 1090898111 /nfs/dbraw/zinc/89/81/11/1090898111.db2.gz GFFSCKBSABUASQ-BPNCWPANSA-N 2 1 316.417 3.165 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@H]2C1 ZINC001204090076 1090899959 /nfs/dbraw/zinc/89/99/59/1090899959.db2.gz VMIAMQCVLUQDHX-SRVKXCTJSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@H]2C1 ZINC001204090076 1090899963 /nfs/dbraw/zinc/89/99/63/1090899963.db2.gz VMIAMQCVLUQDHX-SRVKXCTJSA-N 2 1 304.381 3.197 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(O)cc4)C[C@@H]3C2)cc1 ZINC001204091673 1090900025 /nfs/dbraw/zinc/90/00/25/1090900025.db2.gz HCCTXVLMKRUVAU-PMACEKPBSA-N 2 1 322.452 3.264 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001204148817 1090908056 /nfs/dbraw/zinc/90/80/56/1090908056.db2.gz LFBQAGZGDTYYMO-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204171029 1090912551 /nfs/dbraw/zinc/91/25/51/1090912551.db2.gz GMXYZYAZOWLAHD-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204171029 1090912554 /nfs/dbraw/zinc/91/25/54/1090912554.db2.gz GMXYZYAZOWLAHD-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204171029 1090912557 /nfs/dbraw/zinc/91/25/57/1090912557.db2.gz GMXYZYAZOWLAHD-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204171029 1090912560 /nfs/dbraw/zinc/91/25/60/1090912560.db2.gz GMXYZYAZOWLAHD-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](F)CC2)cc1 ZINC001204263244 1090936243 /nfs/dbraw/zinc/93/62/43/1090936243.db2.gz IUEFQSMYVJTYGO-KRWDZBQOSA-N 2 1 308.441 3.341 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)CC1 ZINC001204357608 1090955488 /nfs/dbraw/zinc/95/54/88/1090955488.db2.gz ZHIXPSUNEGLMNY-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727580 1091023606 /nfs/dbraw/zinc/02/36/06/1091023606.db2.gz DHCHCXPKZBVOOP-KRWDZBQOSA-N 2 1 310.526 3.419 20 0 DGADMP CN1CC[NH+](Cc2ccc(Nc3cc[nH+]c(C4CC4)c3)cc2)CC1 ZINC001204740187 1091026819 /nfs/dbraw/zinc/02/68/19/1091026819.db2.gz BGTWQFXOUWOFCC-UHFFFAOYSA-N 2 1 322.456 3.450 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC001204737792 1091026834 /nfs/dbraw/zinc/02/68/34/1091026834.db2.gz YSGUODTYHAQTQO-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC001204754897 1091030398 /nfs/dbraw/zinc/03/03/98/1091030398.db2.gz BWDWEWDDCRAYMX-ZDUSSCGKSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC001204754897 1091030401 /nfs/dbraw/zinc/03/04/01/1091030401.db2.gz BWDWEWDDCRAYMX-ZDUSSCGKSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2CCc2ccccc2)CCO1 ZINC001204756986 1091031846 /nfs/dbraw/zinc/03/18/46/1091031846.db2.gz VUNGZZXJDNNPEC-OAQYLSRUSA-N 2 1 324.468 3.021 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(OC)cc3F)(C1)CCC2 ZINC001276477282 1091050587 /nfs/dbraw/zinc/05/05/87/1091050587.db2.gz ICAJRBUKCUHAGH-DLBZAZTESA-N 2 1 310.388 3.128 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204870315 1091051613 /nfs/dbraw/zinc/05/16/13/1091051613.db2.gz BEYCXHLBMLDBKK-OLZOCXBDSA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204870315 1091051620 /nfs/dbraw/zinc/05/16/20/1091051620.db2.gz BEYCXHLBMLDBKK-OLZOCXBDSA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204870315 1091051626 /nfs/dbraw/zinc/05/16/26/1091051626.db2.gz BEYCXHLBMLDBKK-OLZOCXBDSA-N 2 1 316.342 3.228 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904486 1091059315 /nfs/dbraw/zinc/05/93/15/1091059315.db2.gz RCNRDOHYOUUQSG-DLBZAZTESA-N 2 1 306.494 3.077 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904486 1091059326 /nfs/dbraw/zinc/05/93/26/1091059326.db2.gz RCNRDOHYOUUQSG-DLBZAZTESA-N 2 1 306.494 3.077 20 0 DGADMP CCCCCCOc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204919101 1091063316 /nfs/dbraw/zinc/06/33/16/1091063316.db2.gz UUZFPRRJAJVZHI-NNZMDNLPSA-N 2 1 302.462 3.282 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001205015374 1091084163 /nfs/dbraw/zinc/08/41/63/1091084163.db2.gz CHBGXQBITFPKEG-KRWDZBQOSA-N 2 1 309.457 3.488 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001205015374 1091084167 /nfs/dbraw/zinc/08/41/67/1091084167.db2.gz CHBGXQBITFPKEG-KRWDZBQOSA-N 2 1 309.457 3.488 20 0 DGADMP Cc1cc(F)c(C[NH+]2CCC(C[NH3+])CC2)c(Br)c1 ZINC001205053085 1091091242 /nfs/dbraw/zinc/09/12/42/1091091242.db2.gz KDTBHNYNIQVIKO-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205109521 1091104511 /nfs/dbraw/zinc/10/45/11/1091104511.db2.gz HMLRTQDOMUGUBV-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205109521 1091104514 /nfs/dbraw/zinc/10/45/14/1091104514.db2.gz HMLRTQDOMUGUBV-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC001205156233 1091114601 /nfs/dbraw/zinc/11/46/01/1091114601.db2.gz UFWDNFRDFXDZQX-UHFFFAOYSA-N 2 1 318.461 3.202 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC001205156233 1091114606 /nfs/dbraw/zinc/11/46/06/1091114606.db2.gz UFWDNFRDFXDZQX-UHFFFAOYSA-N 2 1 318.461 3.202 20 0 DGADMP Cc1cc(-c2ccc(OCCC[NH+](C)C)nc2)cn2cc[nH+]c12 ZINC001205232681 1091141781 /nfs/dbraw/zinc/14/17/81/1091141781.db2.gz COMDQYFGJUJGNY-UHFFFAOYSA-N 2 1 310.401 3.035 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001205255477 1091150944 /nfs/dbraw/zinc/15/09/44/1091150944.db2.gz JGYSAHFKAVTAMH-FQEVSTJZSA-N 2 1 316.489 3.410 20 0 DGADMP C[C@@]1([NH3+])CCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254770 1091151920 /nfs/dbraw/zinc/15/19/20/1091151920.db2.gz AYTUZTVBERTFPN-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254770 1091151925 /nfs/dbraw/zinc/15/19/25/1091151925.db2.gz AYTUZTVBERTFPN-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254770 1091151927 /nfs/dbraw/zinc/15/19/27/1091151927.db2.gz AYTUZTVBERTFPN-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205254770 1091151936 /nfs/dbraw/zinc/15/19/36/1091151936.db2.gz AYTUZTVBERTFPN-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254770 1091151943 /nfs/dbraw/zinc/15/19/43/1091151943.db2.gz AYTUZTVBERTFPN-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccc(Br)cc2)CC1 ZINC001205257554 1091153471 /nfs/dbraw/zinc/15/34/71/1091153471.db2.gz WVFYIDFJJWYLIB-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc21 ZINC001205288609 1091165920 /nfs/dbraw/zinc/16/59/20/1091165920.db2.gz MCNJONVLNPZIQF-FQEVSTJZSA-N 3 1 313.489 3.391 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2C2CCOCC2)CC1 ZINC001205287904 1091166010 /nfs/dbraw/zinc/16/60/10/1091166010.db2.gz CZHVCTDKNPOURR-IBGZPJMESA-N 2 1 302.462 3.284 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303254 1091172850 /nfs/dbraw/zinc/17/28/50/1091172850.db2.gz BOUCHBDINUJLTH-RISCZKNCSA-N 2 1 316.367 3.310 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC001205304293 1091175363 /nfs/dbraw/zinc/17/53/63/1091175363.db2.gz NOKBYFBATVAYIH-WMLDXEAASA-N 2 1 318.461 3.059 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)C[C@H]1C[NH3+] ZINC001205304807 1091175413 /nfs/dbraw/zinc/17/54/13/1091175413.db2.gz PUVPZMKUEQQEDU-TZMCWYRMSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC001205316434 1091179684 /nfs/dbraw/zinc/17/96/84/1091179684.db2.gz IXIMFICMZPNEHV-KBXCAEBGSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C[C@@H]1C[NH3+] ZINC001205315804 1091180064 /nfs/dbraw/zinc/18/00/64/1091180064.db2.gz HESKZJDCLNIDQE-WFASDCNBSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205318112 1091182084 /nfs/dbraw/zinc/18/20/84/1091182084.db2.gz RURBWEJFRIRRKH-LPHOPBHVSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C[C@H]1C[NH3+] ZINC001205317163 1091182663 /nfs/dbraw/zinc/18/26/63/1091182663.db2.gz MWOLZGALONAZHO-RHSMWYFYSA-N 2 1 313.420 3.304 20 0 DGADMP CC(C)(C)[C@@]1(C[NH2+][C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205415008 1091215361 /nfs/dbraw/zinc/21/53/61/1091215361.db2.gz UMZOPHFLZZMFKK-UYAOXDASSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001138547362 1091224818 /nfs/dbraw/zinc/22/48/18/1091224818.db2.gz LZVBAUMQQFLUTL-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205545803 1091247508 /nfs/dbraw/zinc/24/75/08/1091247508.db2.gz NGTZYVZBRDEFQJ-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)ccc2c1 ZINC001205545441 1091248734 /nfs/dbraw/zinc/24/87/34/1091248734.db2.gz HFEZGEGHANHCIG-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC001205545444 1091248784 /nfs/dbraw/zinc/24/87/84/1091248784.db2.gz HHLVNDVAPWGVHF-CQSZACIVSA-N 2 1 315.230 3.102 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccccc3N3CCCCC3)C[C@H]2C1 ZINC001138608074 1091250501 /nfs/dbraw/zinc/25/05/01/1091250501.db2.gz XJYFOPNSXISZDZ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138608074 1091250512 /nfs/dbraw/zinc/25/05/12/1091250512.db2.gz XJYFOPNSXISZDZ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138608074 1091250521 /nfs/dbraw/zinc/25/05/21/1091250521.db2.gz XJYFOPNSXISZDZ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138608074 1091250534 /nfs/dbraw/zinc/25/05/34/1091250534.db2.gz XJYFOPNSXISZDZ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138608074 1091250541 /nfs/dbraw/zinc/25/05/41/1091250541.db2.gz XJYFOPNSXISZDZ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205558031 1091252279 /nfs/dbraw/zinc/25/22/79/1091252279.db2.gz ASMQFFNPDHTTDP-SFHVURJKSA-N 2 1 308.441 3.374 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559415 1091253239 /nfs/dbraw/zinc/25/32/39/1091253239.db2.gz QECMPMWIDVNMAO-GOSISDBHSA-N 2 1 303.425 3.314 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc2O1 ZINC001205571652 1091258963 /nfs/dbraw/zinc/25/89/63/1091258963.db2.gz WWGPHRDDIBAXRD-IBGZPJMESA-N 2 1 320.452 3.443 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC001205570925 1091259442 /nfs/dbraw/zinc/25/94/42/1091259442.db2.gz PVQRMYHVLLCBBT-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)ccc2O1 ZINC001205571653 1091259461 /nfs/dbraw/zinc/25/94/61/1091259461.db2.gz WWGPHRDDIBAXRD-LJQANCHMSA-N 2 1 320.452 3.443 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2-c2nccs2)CC1 ZINC001205570269 1091260475 /nfs/dbraw/zinc/26/04/75/1091260475.db2.gz HPVCEUMOUSZDPY-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c12 ZINC001205592360 1091269348 /nfs/dbraw/zinc/26/93/48/1091269348.db2.gz UKOOBPVVPQVFDX-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP CC[C@@H](C)[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615704 1091278559 /nfs/dbraw/zinc/27/85/59/1091278559.db2.gz VRHVEBISTRBWOP-LMCOJAPRSA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@@H](C)[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615704 1091278564 /nfs/dbraw/zinc/27/85/64/1091278564.db2.gz VRHVEBISTRBWOP-LMCOJAPRSA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@@H](C)[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615704 1091278572 /nfs/dbraw/zinc/27/85/72/1091278572.db2.gz VRHVEBISTRBWOP-LMCOJAPRSA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615705 1091278773 /nfs/dbraw/zinc/27/87/73/1091278773.db2.gz VRHVEBISTRBWOP-RSPOEFSDSA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@@H](C)[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615705 1091278782 /nfs/dbraw/zinc/27/87/82/1091278782.db2.gz VRHVEBISTRBWOP-RSPOEFSDSA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@@H](C)[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615705 1091278788 /nfs/dbraw/zinc/27/87/88/1091278788.db2.gz VRHVEBISTRBWOP-RSPOEFSDSA-N 2 1 316.489 3.111 20 0 DGADMP C[C@H]1CC[N@H+](Cc2c(F)cc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205617685 1091280570 /nfs/dbraw/zinc/28/05/70/1091280570.db2.gz MIUDELPLXZDTHC-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)cc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205617685 1091280580 /nfs/dbraw/zinc/28/05/80/1091280580.db2.gz MIUDELPLXZDTHC-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205618258 1091284498 /nfs/dbraw/zinc/28/44/98/1091284498.db2.gz TXKWPWWAKJQEGW-CHWSQXEVSA-N 2 1 312.889 3.213 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC001205618194 1091284534 /nfs/dbraw/zinc/28/45/34/1091284534.db2.gz SOXRWXDXYKQUOE-CABCVRRESA-N 2 1 305.466 3.066 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205617910 1091284675 /nfs/dbraw/zinc/28/46/75/1091284675.db2.gz PDDAJRNVUVYSJR-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651304 1091295894 /nfs/dbraw/zinc/29/58/94/1091295894.db2.gz CHTRPIKYVUDEKQ-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccncc3)n2)CC[C@H]1C[NH3+] ZINC001205653370 1091297476 /nfs/dbraw/zinc/29/74/76/1091297476.db2.gz TZLAPSAQFDZTNH-HIFRSBDPSA-N 2 1 316.474 3.012 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205655311 1091298616 /nfs/dbraw/zinc/29/86/16/1091298616.db2.gz ZDVRVIQSGDRRLS-STQMWFEESA-N 2 1 320.868 3.034 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1C(F)F ZINC001205652831 1091299104 /nfs/dbraw/zinc/29/91/04/1091299104.db2.gz RHKWPDTXWKXHGP-JSGCOSHPSA-N 2 1 312.404 3.440 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)c1C ZINC001138725683 1091301501 /nfs/dbraw/zinc/30/15/01/1091301501.db2.gz MOXPGGARDQSERP-SJORKVTESA-N 2 1 302.462 3.004 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C)c1C ZINC001138725683 1091301511 /nfs/dbraw/zinc/30/15/11/1091301511.db2.gz MOXPGGARDQSERP-SJORKVTESA-N 2 1 302.462 3.004 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(C)c1C ZINC001138725683 1091301523 /nfs/dbraw/zinc/30/15/23/1091301523.db2.gz MOXPGGARDQSERP-SJORKVTESA-N 2 1 302.462 3.004 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1C ZINC001138724039 1091302498 /nfs/dbraw/zinc/30/24/98/1091302498.db2.gz CJARYVNGYCUNHH-IBGZPJMESA-N 2 1 302.462 3.148 20 0 DGADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1C ZINC001138724039 1091302504 /nfs/dbraw/zinc/30/25/04/1091302504.db2.gz CJARYVNGYCUNHH-IBGZPJMESA-N 2 1 302.462 3.148 20 0 DGADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1C ZINC001138724039 1091302510 /nfs/dbraw/zinc/30/25/10/1091302510.db2.gz CJARYVNGYCUNHH-IBGZPJMESA-N 2 1 302.462 3.148 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@](O)(C[NH3+])C1)c1cccc2ccccc21 ZINC001205665475 1091303987 /nfs/dbraw/zinc/30/39/87/1091303987.db2.gz RNGOVEQNFMZALS-UZLBHIALSA-N 2 1 312.457 3.119 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(OC)c(C)c3C)C[C@@H]2C1 ZINC001138727609 1091304715 /nfs/dbraw/zinc/30/47/15/1091304715.db2.gz QCQYTUJTGBMMJQ-HDICACEKSA-N 2 1 316.489 3.394 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(OC)c(C)c3C)C[C@@H]2C1 ZINC001138727609 1091304728 /nfs/dbraw/zinc/30/47/28/1091304728.db2.gz QCQYTUJTGBMMJQ-HDICACEKSA-N 2 1 316.489 3.394 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001205681770 1091310053 /nfs/dbraw/zinc/31/00/53/1091310053.db2.gz NRDMASQSZAJIKB-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP CN1CCC([N@@H+](Cc2cnc3[nH]ccc3c2)C2CCCC2)CC1 ZINC001138743823 1091311368 /nfs/dbraw/zinc/31/13/68/1091311368.db2.gz FDLOQYFVDVZMGF-UHFFFAOYSA-N 2 1 312.461 3.402 20 0 DGADMP CC(C)[N@@H+](CCCCCO)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138771966 1091323682 /nfs/dbraw/zinc/32/36/82/1091323682.db2.gz LHTHXROXUFFENV-UHFFFAOYSA-N 2 1 322.493 3.000 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856713 1091380966 /nfs/dbraw/zinc/38/09/66/1091380966.db2.gz XZHWEMFCYDMDKA-CRAIPNDOSA-N 2 1 302.462 3.140 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856713 1091380988 /nfs/dbraw/zinc/38/09/88/1091380988.db2.gz XZHWEMFCYDMDKA-CRAIPNDOSA-N 2 1 302.462 3.140 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902714 1091400424 /nfs/dbraw/zinc/40/04/24/1091400424.db2.gz LEZWVAHGYNCYOQ-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902714 1091400428 /nfs/dbraw/zinc/40/04/28/1091400428.db2.gz LEZWVAHGYNCYOQ-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001205904370 1091401841 /nfs/dbraw/zinc/40/18/41/1091401841.db2.gz URDTZOBOKKCAFX-DGCLKSJQSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CCCCC1 ZINC001205903866 1091402185 /nfs/dbraw/zinc/40/21/85/1091402185.db2.gz RKNHRPNVICRFBN-IAGOWNOFSA-N 2 1 301.478 3.236 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001205912692 1091407865 /nfs/dbraw/zinc/40/78/65/1091407865.db2.gz BKVFFVTYISGSJW-HIFRSBDPSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001205914560 1091409057 /nfs/dbraw/zinc/40/90/57/1091409057.db2.gz NAHYOQGPJUNMSD-HIFRSBDPSA-N 2 1 318.852 3.085 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(OC(C)C)c3)C[C@@H]2C1 ZINC001138986859 1091409214 /nfs/dbraw/zinc/40/92/14/1091409214.db2.gz DJUBKWQHPMSRFE-ROUUACIJSA-N 2 1 302.462 3.247 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1C(F)(F)F ZINC001205915207 1091409257 /nfs/dbraw/zinc/40/92/57/1091409257.db2.gz OTVSASBYSAUWRI-DGCLKSJQSA-N 2 1 316.367 3.273 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1C(F)(F)F ZINC001205915208 1091410206 /nfs/dbraw/zinc/41/02/06/1091410206.db2.gz OTVSASBYSAUWRI-WCQYABFASA-N 2 1 316.367 3.273 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205916187 1091411915 /nfs/dbraw/zinc/41/19/15/1091411915.db2.gz SOHYEAOYAHALDB-CHWSQXEVSA-N 2 1 316.367 3.453 20 0 DGADMP [NH3+][C@@H]1CCCC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001205922857 1091414597 /nfs/dbraw/zinc/41/45/97/1091414597.db2.gz CFDXQUGRVLEDSJ-CQSZACIVSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001205922857 1091414601 /nfs/dbraw/zinc/41/46/01/1091414601.db2.gz CFDXQUGRVLEDSJ-CQSZACIVSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Br)cs2)CCC[C@@H]1C[NH3+] ZINC001205993118 1091439862 /nfs/dbraw/zinc/43/98/62/1091439862.db2.gz GXRMILGRNXIWCS-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205992934 1091439972 /nfs/dbraw/zinc/43/99/72/1091439972.db2.gz GHFVOGWXOJOXPN-OCCSQVGLSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3cc(F)ccc3n2)CCC[C@H]1C[NH3+] ZINC001206003635 1091445922 /nfs/dbraw/zinc/44/59/22/1091445922.db2.gz KNPWPDKIUBZTHI-HIFRSBDPSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2sccc2Br)CCC[C@@H]1C[NH3+] ZINC001206005834 1091446193 /nfs/dbraw/zinc/44/61/93/1091446193.db2.gz YZYNHEKEDOZGBL-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccn2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206014008 1091451618 /nfs/dbraw/zinc/45/16/18/1091451618.db2.gz UZIZMMXNFZBDHQ-PKOBYXMFSA-N 2 1 311.473 3.343 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206014098 1091452366 /nfs/dbraw/zinc/45/23/66/1091452366.db2.gz VYZURXUQRABITK-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1C(F)F ZINC001206024537 1091455405 /nfs/dbraw/zinc/45/54/05/1091455405.db2.gz JYGUSJGUPRJWPF-GXTWGEPZSA-N 2 1 312.404 3.440 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CCC[C@H]1C[NH3+] ZINC001206022745 1091455607 /nfs/dbraw/zinc/45/56/07/1091455607.db2.gz CPWZLOAWRNDMDQ-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CCC[C@@H]1C[NH3+] ZINC001206026250 1091457626 /nfs/dbraw/zinc/45/76/26/1091457626.db2.gz RCYWUCOMOGPHCW-DOTOQJQBSA-N 2 1 319.468 3.233 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CCC[C@@H]1C[NH3+] ZINC001206034845 1091461839 /nfs/dbraw/zinc/46/18/39/1091461839.db2.gz BBELZOPALAPXLB-DOTOQJQBSA-N 2 1 319.468 3.233 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001206035516 1091461901 /nfs/dbraw/zinc/46/19/01/1091461901.db2.gz CGABNKHIEZIGON-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC001206036808 1091463390 /nfs/dbraw/zinc/46/33/90/1091463390.db2.gz QNMWKEJCDUVMBT-SJLPKXTDSA-N 2 1 319.493 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccncc3)n2)CCC[C@H]1C[NH3+] ZINC001206036502 1091464258 /nfs/dbraw/zinc/46/42/58/1091464258.db2.gz KIRQUOVXRHVXSZ-HIFRSBDPSA-N 2 1 316.474 3.012 20 0 DGADMP CCCCc1nc(Cl)c(C[NH+]2CCC(C[NH+](C)C)CC2)[nH]1 ZINC001139181517 1091478671 /nfs/dbraw/zinc/47/86/71/1091478671.db2.gz WWAJJFPAYGHFJZ-UHFFFAOYSA-N 2 1 312.889 3.179 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@H]1F ZINC001206187400 1091527501 /nfs/dbraw/zinc/52/75/01/1091527501.db2.gz SZQIHVALHCTJHM-IAGOWNOFSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@H]1F ZINC001206187400 1091527506 /nfs/dbraw/zinc/52/75/06/1091527506.db2.gz SZQIHVALHCTJHM-IAGOWNOFSA-N 2 1 317.383 3.149 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C)c1OC(C)C ZINC001206211750 1091537752 /nfs/dbraw/zinc/53/77/52/1091537752.db2.gz PJLZWTPNNXEUSB-IAGOWNOFSA-N 2 1 308.441 3.352 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001206318678 1091577053 /nfs/dbraw/zinc/57/70/53/1091577053.db2.gz SPOMSONNCCTWSU-ZDUSSCGKSA-N 2 1 317.296 3.462 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1CCCc1ccc(Br)cc1 ZINC001206258393 1091553373 /nfs/dbraw/zinc/55/33/73/1091553373.db2.gz XXRYGIZUPRFJRF-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297244 1091566012 /nfs/dbraw/zinc/56/60/12/1091566012.db2.gz WYQIHIKAHQIPMV-BEFAXECRSA-N 2 1 318.461 3.045 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+]1CCCC1 ZINC001206303115 1091569477 /nfs/dbraw/zinc/56/94/77/1091569477.db2.gz XAHXKAKLZXWCDN-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001206304448 1091571149 /nfs/dbraw/zinc/57/11/49/1091571149.db2.gz KVRCGQOKCQJXHK-IBGZPJMESA-N 2 1 301.478 3.238 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206305177 1091572068 /nfs/dbraw/zinc/57/20/68/1091572068.db2.gz VMKOALBKJQPIRH-GOSISDBHSA-N 2 1 305.466 3.210 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001206311883 1091573842 /nfs/dbraw/zinc/57/38/42/1091573842.db2.gz WKKUEZDDICPIQS-CYBMUJFWSA-N 2 1 317.296 3.462 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206317045 1091575717 /nfs/dbraw/zinc/57/57/17/1091575717.db2.gz BPRAWFXBXGYICP-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001206318113 1091576897 /nfs/dbraw/zinc/57/68/97/1091576897.db2.gz MPIPIGMKBBMJKV-IBGZPJMESA-N 2 1 318.461 3.132 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc(CC)c1O ZINC001206318573 1091577707 /nfs/dbraw/zinc/57/77/07/1091577707.db2.gz RLULHQPKTUJPHV-IBGZPJMESA-N 2 1 304.478 3.468 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326918 1091581845 /nfs/dbraw/zinc/58/18/45/1091581845.db2.gz QORVNGZHDRKJDI-GOSISDBHSA-N 2 1 305.466 3.128 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OCC)C[C@H]2C1 ZINC001139607140 1091618972 /nfs/dbraw/zinc/61/89/72/1091618972.db2.gz HMBSQERREYTLBK-QZTJIDSGSA-N 2 1 302.462 3.167 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)n1 ZINC001206549805 1091665841 /nfs/dbraw/zinc/66/58/41/1091665841.db2.gz PYVWOFRLLMIFIW-GOSISDBHSA-N 2 1 305.466 3.210 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)n1 ZINC001206549805 1091665846 /nfs/dbraw/zinc/66/58/46/1091665846.db2.gz PYVWOFRLLMIFIW-GOSISDBHSA-N 2 1 305.466 3.210 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)C1 ZINC001206554505 1091667220 /nfs/dbraw/zinc/66/72/20/1091667220.db2.gz DGFFEZLTHPNIBP-IBGZPJMESA-N 2 1 316.493 3.023 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001206564438 1091671934 /nfs/dbraw/zinc/67/19/34/1091671934.db2.gz NMVKNKBIQDJGCC-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP COc1cccc2c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c[nH]c21 ZINC001206565940 1091671987 /nfs/dbraw/zinc/67/19/87/1091671987.db2.gz WFOUTZCTUYPCMN-GOSISDBHSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001206563723 1091672288 /nfs/dbraw/zinc/67/22/88/1091672288.db2.gz HZOHJKYOYXUQON-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc3ncnc(Cl)c3c2)C1 ZINC001206572915 1091673706 /nfs/dbraw/zinc/67/37/06/1091673706.db2.gz HQDTXXCGUAXWJH-QGZVFWFLSA-N 2 1 318.852 3.234 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)C1 ZINC001206572915 1091673713 /nfs/dbraw/zinc/67/37/13/1091673713.db2.gz HQDTXXCGUAXWJH-QGZVFWFLSA-N 2 1 318.852 3.234 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cnc1OC(C)C ZINC001206573454 1091673746 /nfs/dbraw/zinc/67/37/46/1091673746.db2.gz LACAWSJVLBETMZ-GOSISDBHSA-N 2 1 305.466 3.128 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cnc1OC(C)C ZINC001206573454 1091673753 /nfs/dbraw/zinc/67/37/53/1091673753.db2.gz LACAWSJVLBETMZ-GOSISDBHSA-N 2 1 305.466 3.128 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001206574226 1091674599 /nfs/dbraw/zinc/67/45/99/1091674599.db2.gz RDPIYYKUBPAJKO-IBGZPJMESA-N 2 1 319.468 3.377 20 0 DGADMP COc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(OC)c1C ZINC001206581499 1091676304 /nfs/dbraw/zinc/67/63/04/1091676304.db2.gz JLZZSWFPQGNZLE-KRWDZBQOSA-N 2 1 320.477 3.365 20 0 DGADMP CC(C)[N@@H+](CCc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582430 1091677872 /nfs/dbraw/zinc/67/78/72/1091677872.db2.gz NTXJYTSXRBNMCK-CQSZACIVSA-N 2 1 314.395 3.499 20 0 DGADMP CCOC(=O)CCCCCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583360 1091677983 /nfs/dbraw/zinc/67/79/83/1091677983.db2.gz TWUBYKXEMXJXRF-QGZVFWFLSA-N 2 1 312.498 3.353 20 0 DGADMP COc1cc(F)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC001206599699 1091684257 /nfs/dbraw/zinc/68/42/57/1091684257.db2.gz VTAHCWUGYVGXEM-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(F)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC001206599699 1091684252 /nfs/dbraw/zinc/68/42/52/1091684252.db2.gz VTAHCWUGYVGXEM-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP CCOc1ncc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC001206598490 1091684398 /nfs/dbraw/zinc/68/43/98/1091684398.db2.gz KUGVVPCWLVUQIK-QGZVFWFLSA-N 2 1 305.466 3.141 20 0 DGADMP [NH3+]C[C@@H]1CCCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206607367 1091687559 /nfs/dbraw/zinc/68/75/59/1091687559.db2.gz ZQJPNVFRHCPMBI-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607367 1091687567 /nfs/dbraw/zinc/68/75/67/1091687567.db2.gz ZQJPNVFRHCPMBI-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607367 1091687573 /nfs/dbraw/zinc/68/75/73/1091687573.db2.gz ZQJPNVFRHCPMBI-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206617064 1091691880 /nfs/dbraw/zinc/69/18/80/1091691880.db2.gz ZTEUYGOJMKYBOE-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206617064 1091691884 /nfs/dbraw/zinc/69/18/84/1091691884.db2.gz ZTEUYGOJMKYBOE-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001206622575 1091693742 /nfs/dbraw/zinc/69/37/42/1091693742.db2.gz GFINSYMNVSQVCJ-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1OCC1CC1 ZINC001206624258 1091693763 /nfs/dbraw/zinc/69/37/63/1091693763.db2.gz SCNSFQGOAIISQG-QGZVFWFLSA-N 2 1 318.461 3.045 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206640364 1091696823 /nfs/dbraw/zinc/69/68/23/1091696823.db2.gz JFDIQBQDXKVPOI-ZDUSSCGKSA-N 2 1 317.458 3.077 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206640364 1091696826 /nfs/dbraw/zinc/69/68/26/1091696826.db2.gz JFDIQBQDXKVPOI-ZDUSSCGKSA-N 2 1 317.458 3.077 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC001206722676 1091712133 /nfs/dbraw/zinc/71/21/33/1091712133.db2.gz RISWBTQXIVVSMA-UHFFFAOYSA-N 2 1 314.473 3.285 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001206761079 1091727769 /nfs/dbraw/zinc/72/77/69/1091727769.db2.gz SSJAPYFSLLDAFI-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206767643 1091730469 /nfs/dbraw/zinc/73/04/69/1091730469.db2.gz CYAMDYQRCXTTIG-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767986 1091731840 /nfs/dbraw/zinc/73/18/40/1091731840.db2.gz GMDUDQDQQDAZCU-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767986 1091731842 /nfs/dbraw/zinc/73/18/42/1091731842.db2.gz GMDUDQDQQDAZCU-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(OC(F)(F)F)c1 ZINC001206769236 1091732020 /nfs/dbraw/zinc/73/20/20/1091732020.db2.gz NKKQNVZIFUSULJ-OLZOCXBDSA-N 2 1 316.367 3.453 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771428 1091733872 /nfs/dbraw/zinc/73/38/72/1091733872.db2.gz WQYPTMFXIALCGQ-PWSUYJOCSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771428 1091733880 /nfs/dbraw/zinc/73/38/80/1091733880.db2.gz WQYPTMFXIALCGQ-PWSUYJOCSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770915 1091734002 /nfs/dbraw/zinc/73/40/02/1091734002.db2.gz UIVQCEAOTBGFNJ-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770915 1091734009 /nfs/dbraw/zinc/73/40/09/1091734009.db2.gz UIVQCEAOTBGFNJ-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)no1 ZINC001206820625 1091753089 /nfs/dbraw/zinc/75/30/89/1091753089.db2.gz JYAJUJWOCGODKP-UHFFFAOYSA-N 2 1 311.429 3.081 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cc(C)on3)CC2)CC1 ZINC001206820121 1091753597 /nfs/dbraw/zinc/75/35/97/1091753597.db2.gz BPVRVYPCCYKJLO-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP C[C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)CC(C)(C)C ZINC001276503919 1091827549 /nfs/dbraw/zinc/82/75/49/1091827549.db2.gz LYVDRTNTRRJGEQ-OKZBNKHCSA-N 2 1 309.542 3.159 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21)CC(C)(C)C ZINC001276504432 1091830365 /nfs/dbraw/zinc/83/03/65/1091830365.db2.gz SUNXIHGXZCYAAD-FGTMMUONSA-N 2 1 309.542 3.017 20 0 DGADMP CCc1cccc(F)c1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001207076419 1091839492 /nfs/dbraw/zinc/83/94/92/1091839492.db2.gz QRCYFAZVMXOLKW-UHFFFAOYSA-N 2 1 322.468 3.178 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3n[nH]cc3c2)CC1 ZINC001140387889 1091848024 /nfs/dbraw/zinc/84/80/24/1091848024.db2.gz XGXPETXHJAUHKK-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207285920 1091910613 /nfs/dbraw/zinc/91/06/13/1091910613.db2.gz QNOSDSBZVMXEGX-GOSISDBHSA-N 2 1 320.477 3.126 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207285920 1091910622 /nfs/dbraw/zinc/91/06/22/1091910622.db2.gz QNOSDSBZVMXEGX-GOSISDBHSA-N 2 1 320.477 3.126 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001207283454 1091911234 /nfs/dbraw/zinc/91/12/34/1091911234.db2.gz YOWPDNNWSBMOOC-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@]1(O)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286677 1091912898 /nfs/dbraw/zinc/91/28/98/1091912898.db2.gz KBSSXNOYMDTIKQ-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CO[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207290809 1091913796 /nfs/dbraw/zinc/91/37/96/1091913796.db2.gz CHDYGDNLQKPODV-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+](Cc1cncs1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292909 1091914178 /nfs/dbraw/zinc/91/41/78/1091914178.db2.gz CUBLULIJUQBMKP-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP Brc1ccc(CCCN2CC[NH+]3CCC2CC3)cc1 ZINC001207322734 1091924486 /nfs/dbraw/zinc/92/44/86/1091924486.db2.gz DGEAWQWZVWDJHN-UHFFFAOYSA-N 2 1 323.278 3.162 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC001207333745 1091926797 /nfs/dbraw/zinc/92/67/97/1091926797.db2.gz JJEMKDVNLPTIKA-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCOC1 ZINC001207471381 1091979795 /nfs/dbraw/zinc/97/97/95/1091979795.db2.gz ICGWWKRAHOSDSZ-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140801095 1092006013 /nfs/dbraw/zinc/00/60/13/1092006013.db2.gz BSRHBQIYRVGREY-CYBMUJFWSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140801095 1092006024 /nfs/dbraw/zinc/00/60/24/1092006024.db2.gz BSRHBQIYRVGREY-CYBMUJFWSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801095 1092006030 /nfs/dbraw/zinc/00/60/30/1092006030.db2.gz BSRHBQIYRVGREY-CYBMUJFWSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801095 1092006040 /nfs/dbraw/zinc/00/60/40/1092006040.db2.gz BSRHBQIYRVGREY-CYBMUJFWSA-N 2 1 301.287 3.287 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3ccncc23)CC1 ZINC001140803587 1092009172 /nfs/dbraw/zinc/00/91/72/1092009172.db2.gz SGFZCVWLWNHLHA-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140803587 1092009180 /nfs/dbraw/zinc/00/91/80/1092009180.db2.gz SGFZCVWLWNHLHA-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140803587 1092009188 /nfs/dbraw/zinc/00/91/88/1092009188.db2.gz SGFZCVWLWNHLHA-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803587 1092009197 /nfs/dbraw/zinc/00/91/97/1092009197.db2.gz SGFZCVWLWNHLHA-UHFFFAOYSA-N 3 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803587 1092009207 /nfs/dbraw/zinc/00/92/07/1092009207.db2.gz SGFZCVWLWNHLHA-UHFFFAOYSA-N 3 1 300.450 3.115 20 0 DGADMP COc1cccc(CCC[N@@H+](C(C)C)C2CCN(C)CC2)c1 ZINC001207572864 1092025854 /nfs/dbraw/zinc/02/58/54/1092025854.db2.gz GBHZGIPJNSBDSI-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc(CCCN2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001207577470 1092028110 /nfs/dbraw/zinc/02/81/10/1092028110.db2.gz DNLOUXGGQXFJEH-UHFFFAOYSA-N 2 1 314.473 3.046 20 0 DGADMP C[N@@H+](CCc1ccccc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140969194 1092087605 /nfs/dbraw/zinc/08/76/05/1092087605.db2.gz YPJBBVJZKSRKSH-UHFFFAOYSA-N 2 1 323.484 3.113 20 0 DGADMP Cc1ccccc1C[N@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973237 1092090035 /nfs/dbraw/zinc/09/00/35/1092090035.db2.gz IIWFWURURUBLCC-UHFFFAOYSA-N 2 1 323.484 3.379 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCC[C@@H]1C ZINC001140970193 1092090098 /nfs/dbraw/zinc/09/00/98/1092090098.db2.gz GAOLGHSGZSLHBV-ROUUACIJSA-N 2 1 315.505 3.306 20 0 DGADMP CC[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001140971213 1092090176 /nfs/dbraw/zinc/09/01/76/1092090176.db2.gz LPKYIPSIGMGQHL-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC23CCCCC3)CC1 ZINC001140970620 1092090453 /nfs/dbraw/zinc/09/04/53/1092090453.db2.gz NTLSTAREXVREHV-UHFFFAOYSA-N 2 1 313.489 3.347 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(-c4ncccn4)c3)C2)CC1 ZINC001140981889 1092093287 /nfs/dbraw/zinc/09/32/87/1092093287.db2.gz ZTNMNJKKQNJXSL-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP CC[N@H+]1CCO[C@@H]2CN(Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141103717 1092138319 /nfs/dbraw/zinc/13/83/19/1092138319.db2.gz ICGRCDNWTQBHMF-PKOBYXMFSA-N 2 1 316.489 3.137 20 0 DGADMP CCN1CCO[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141103717 1092138322 /nfs/dbraw/zinc/13/83/22/1092138322.db2.gz ICGRCDNWTQBHMF-PKOBYXMFSA-N 2 1 316.489 3.137 20 0 DGADMP CCN1CCO[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141103717 1092138330 /nfs/dbraw/zinc/13/83/30/1092138330.db2.gz ICGRCDNWTQBHMF-PKOBYXMFSA-N 2 1 316.489 3.137 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001207936558 1092147564 /nfs/dbraw/zinc/14/75/64/1092147564.db2.gz ISAMKCXSBRPOAZ-FFZOFVMBSA-N 2 1 300.490 3.482 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC001207936558 1092147567 /nfs/dbraw/zinc/14/75/67/1092147567.db2.gz ISAMKCXSBRPOAZ-FFZOFVMBSA-N 2 1 300.490 3.482 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC001207936558 1092147569 /nfs/dbraw/zinc/14/75/69/1092147569.db2.gz ISAMKCXSBRPOAZ-FFZOFVMBSA-N 2 1 300.490 3.482 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001207936556 1092147698 /nfs/dbraw/zinc/14/76/98/1092147698.db2.gz ISAMKCXSBRPOAZ-AHRSYUTCSA-N 2 1 300.490 3.482 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC001207936556 1092147700 /nfs/dbraw/zinc/14/77/00/1092147700.db2.gz ISAMKCXSBRPOAZ-AHRSYUTCSA-N 2 1 300.490 3.482 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC001207936556 1092147705 /nfs/dbraw/zinc/14/77/05/1092147705.db2.gz ISAMKCXSBRPOAZ-AHRSYUTCSA-N 2 1 300.490 3.482 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@H]2C1 ZINC001141185063 1092165089 /nfs/dbraw/zinc/16/50/89/1092165089.db2.gz ASPGGKVQCFNADO-QZTJIDSGSA-N 2 1 314.473 3.174 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC001208109019 1092198700 /nfs/dbraw/zinc/19/87/00/1092198700.db2.gz JPMDZSBGLQEKLI-IBGZPJMESA-N 2 1 320.452 3.105 20 0 DGADMP Cc1ccc([C@@]2(C)C[N@@H+](CC3(C)CC[NH+](C)CC3)CCO2)cc1 ZINC001208108622 1092198960 /nfs/dbraw/zinc/19/89/60/1092198960.db2.gz GAXOJRFKZFCMLF-HXUWFJFHSA-N 2 1 316.489 3.274 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001208107100 1092199104 /nfs/dbraw/zinc/19/91/04/1092199104.db2.gz NTRZTRCCMBDRJO-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(OC(C)(C)C)n3)(C1)CCC2 ZINC001276560292 1092230479 /nfs/dbraw/zinc/23/04/79/1092230479.db2.gz BFADMLWTXMLEJH-RBUKOAKNSA-N 2 1 317.477 3.413 20 0 DGADMP C[NH+](C)CC1(CN2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001208186387 1092248220 /nfs/dbraw/zinc/24/82/20/1092248220.db2.gz PUDCDGFDRFMKHW-RBUKOAKNSA-N 2 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CCCC1 ZINC001208186387 1092248232 /nfs/dbraw/zinc/24/82/32/1092248232.db2.gz PUDCDGFDRFMKHW-RBUKOAKNSA-N 3 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CCCC1 ZINC001208186387 1092248244 /nfs/dbraw/zinc/24/82/44/1092248244.db2.gz PUDCDGFDRFMKHW-RBUKOAKNSA-N 3 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001208186387 1092248259 /nfs/dbraw/zinc/24/82/59/1092248259.db2.gz PUDCDGFDRFMKHW-RBUKOAKNSA-N 3 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001208186387 1092248268 /nfs/dbraw/zinc/24/82/68/1092248268.db2.gz PUDCDGFDRFMKHW-RBUKOAKNSA-N 3 1 321.553 3.447 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)CC1(C[NH+](C)C)CCCC1 ZINC001208188311 1092251568 /nfs/dbraw/zinc/25/15/68/1092251568.db2.gz WYMXUFOFZMOJKW-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208220773 1092277720 /nfs/dbraw/zinc/27/77/20/1092277720.db2.gz VOEPDWQYSHCMGR-MRXNPFEDSA-N 2 1 307.482 3.363 20 0 DGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208220773 1092277728 /nfs/dbraw/zinc/27/77/28/1092277728.db2.gz VOEPDWQYSHCMGR-MRXNPFEDSA-N 2 1 307.482 3.363 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3c(C)onc3-c3ccccc3)C[C@H]2C1 ZINC001141994620 1092381266 /nfs/dbraw/zinc/38/12/66/1092381266.db2.gz SOHNFNVLCFHIJR-CALCHBBNSA-N 2 1 311.429 3.034 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141994620 1092381272 /nfs/dbraw/zinc/38/12/72/1092381272.db2.gz SOHNFNVLCFHIJR-CALCHBBNSA-N 2 1 311.429 3.034 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141994620 1092381281 /nfs/dbraw/zinc/38/12/81/1092381281.db2.gz SOHNFNVLCFHIJR-CALCHBBNSA-N 2 1 311.429 3.034 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141994620 1092381286 /nfs/dbraw/zinc/38/12/86/1092381286.db2.gz SOHNFNVLCFHIJR-CALCHBBNSA-N 2 1 311.429 3.034 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141994620 1092381292 /nfs/dbraw/zinc/38/12/92/1092381292.db2.gz SOHNFNVLCFHIJR-CALCHBBNSA-N 2 1 311.429 3.034 20 0 DGADMP C[NH+](C)C[C@@H]1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208589590 1092415092 /nfs/dbraw/zinc/41/50/92/1092415092.db2.gz WOXZLNZXKJHFBA-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001208599687 1092420555 /nfs/dbraw/zinc/42/05/55/1092420555.db2.gz KRXITSUKNNTHSZ-INIZCTEOSA-N 2 1 324.415 3.150 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1 ZINC001208604638 1092422648 /nfs/dbraw/zinc/42/26/48/1092422648.db2.gz RGEFZKOVLILULW-OAHLLOKOSA-N 2 1 313.445 3.349 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208606967 1092425117 /nfs/dbraw/zinc/42/51/17/1092425117.db2.gz KAWZCCJKDDVVAQ-QAPCUYQASA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208606967 1092425121 /nfs/dbraw/zinc/42/51/21/1092425121.db2.gz KAWZCCJKDDVVAQ-QAPCUYQASA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208606967 1092425126 /nfs/dbraw/zinc/42/51/26/1092425126.db2.gz KAWZCCJKDDVVAQ-QAPCUYQASA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208606967 1092425128 /nfs/dbraw/zinc/42/51/28/1092425128.db2.gz KAWZCCJKDDVVAQ-QAPCUYQASA-N 2 1 320.502 3.127 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001208613052 1092427035 /nfs/dbraw/zinc/42/70/35/1092427035.db2.gz OLGSQKUPPCRCQK-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001208613052 1092427039 /nfs/dbraw/zinc/42/70/39/1092427039.db2.gz OLGSQKUPPCRCQK-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001208613052 1092427046 /nfs/dbraw/zinc/42/70/46/1092427046.db2.gz OLGSQKUPPCRCQK-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP Cc1ccsc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204018417 1092428851 /nfs/dbraw/zinc/42/88/51/1092428851.db2.gz WMKLXVYJRUIQML-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccsc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204018417 1092428862 /nfs/dbraw/zinc/42/88/62/1092428862.db2.gz WMKLXVYJRUIQML-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccsc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204018417 1092428871 /nfs/dbraw/zinc/42/88/71/1092428871.db2.gz WMKLXVYJRUIQML-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccsc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204018417 1092428879 /nfs/dbraw/zinc/42/88/79/1092428879.db2.gz WMKLXVYJRUIQML-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)c1 ZINC001208618814 1092430809 /nfs/dbraw/zinc/43/08/09/1092430809.db2.gz SJDXFGAQYAQCKC-FUHWJXTLSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208618814 1092430817 /nfs/dbraw/zinc/43/08/17/1092430817.db2.gz SJDXFGAQYAQCKC-FUHWJXTLSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208618814 1092430822 /nfs/dbraw/zinc/43/08/22/1092430822.db2.gz SJDXFGAQYAQCKC-FUHWJXTLSA-N 2 1 302.462 3.216 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)c1 ZINC001208616961 1092431603 /nfs/dbraw/zinc/43/16/03/1092431603.db2.gz LQZZBISBSIUKPJ-OALUTQOASA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208616961 1092431606 /nfs/dbraw/zinc/43/16/06/1092431606.db2.gz LQZZBISBSIUKPJ-OALUTQOASA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208616961 1092431608 /nfs/dbraw/zinc/43/16/08/1092431608.db2.gz LQZZBISBSIUKPJ-OALUTQOASA-N 2 1 316.489 3.292 20 0 DGADMP Cc1cnccc1O[C@H]1CCN(Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142238255 1092446284 /nfs/dbraw/zinc/44/62/84/1092446284.db2.gz MGEHDODHXDKXBI-AWEZNQCLSA-N 2 1 314.433 3.064 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169066572 1092520461 /nfs/dbraw/zinc/52/04/61/1092520461.db2.gz BRXLJUCZZAFBJH-HXUWFJFHSA-N 2 1 318.505 3.344 20 0 DGADMP c1cn2c(n1)CC[N@@H+](CCCCCOCc1ccccc1)CC2 ZINC001208814943 1092521410 /nfs/dbraw/zinc/52/14/10/1092521410.db2.gz MUDDBSMTZHJMQF-UHFFFAOYSA-N 2 1 313.445 3.128 20 0 DGADMP c1cn2c([nH+]1)CC[N@H+](CCCCCOCc1ccccc1)CC2 ZINC001208814943 1092521416 /nfs/dbraw/zinc/52/14/16/1092521416.db2.gz MUDDBSMTZHJMQF-UHFFFAOYSA-N 2 1 313.445 3.128 20 0 DGADMP c1cn2c([nH+]1)CC[N@@H+](CCCCCOCc1ccccc1)CC2 ZINC001208814943 1092521435 /nfs/dbraw/zinc/52/14/35/1092521435.db2.gz MUDDBSMTZHJMQF-UHFFFAOYSA-N 2 1 313.445 3.128 20 0 DGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099755 1092528040 /nfs/dbraw/zinc/52/80/40/1092528040.db2.gz VBYPVZMXWGQYOG-TVFCKZIOSA-N 2 1 302.462 3.286 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CC[NH3+])c1cccc3ccccc31)C2 ZINC001169078408 1092532558 /nfs/dbraw/zinc/53/25/58/1092532558.db2.gz FAIURZDUEYOSPS-PIIMJCKOSA-N 2 1 309.457 3.230 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCSCc1ccc(F)cc1)C2 ZINC001169090185 1092536837 /nfs/dbraw/zinc/53/68/37/1092536837.db2.gz IJLJIGOTHAWUMT-OSYLJGHBSA-N 2 1 308.466 3.274 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C2 ZINC001169091749 1092539381 /nfs/dbraw/zinc/53/93/81/1092539381.db2.gz UUIOZQAZHNKOFU-ZSBIGDGJSA-N 2 1 300.233 3.103 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C2 ZINC001169091749 1092539388 /nfs/dbraw/zinc/53/93/88/1092539388.db2.gz UUIOZQAZHNKOFU-ZSBIGDGJSA-N 2 1 300.233 3.103 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001169091791 1092539883 /nfs/dbraw/zinc/53/98/83/1092539883.db2.gz VAZLGILAIXNLJV-IYWMVGAKSA-N 2 1 313.489 3.038 20 0 DGADMP CCc1cc2c(cc1CC)CC([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169117176 1092540607 /nfs/dbraw/zinc/54/06/07/1092540607.db2.gz XHKLXWXBRCSFBV-WKCHPHFGSA-N 2 1 312.501 3.493 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCC1)C2 ZINC001169123041 1092545195 /nfs/dbraw/zinc/54/51/95/1092545195.db2.gz IBWKFDRYPPOJDW-PHZGNYQRSA-N 2 1 322.493 3.103 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125872 1092545297 /nfs/dbraw/zinc/54/52/97/1092545297.db2.gz MVGMJQLVDWOFBX-NCOADZHNSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125872 1092545311 /nfs/dbraw/zinc/54/53/11/1092545311.db2.gz MVGMJQLVDWOFBX-NCOADZHNSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125872 1092545318 /nfs/dbraw/zinc/54/53/18/1092545318.db2.gz MVGMJQLVDWOFBX-NCOADZHNSA-N 2 1 300.446 3.110 20 0 DGADMP Cc1cc2c[nH+]c(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)nc2[nH]1 ZINC001169139390 1092551886 /nfs/dbraw/zinc/55/18/86/1092551886.db2.gz ZRVQEIMLKLYPTR-SUMWQHHRSA-N 2 1 301.438 3.174 20 0 DGADMP CCCNc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169138715 1092552053 /nfs/dbraw/zinc/55/20/53/1092552053.db2.gz UBUKVRUKVFXCJO-SUMWQHHRSA-N 2 1 305.470 3.254 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108541 1092553517 /nfs/dbraw/zinc/55/35/17/1092553517.db2.gz AYVTWQWBFLKPNH-QKDCVEJESA-N 2 1 323.278 3.472 20 0 DGADMP COc1cccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169115634 1092555485 /nfs/dbraw/zinc/55/54/85/1092555485.db2.gz LVKONKZRVOUXDQ-BJWYYQGGSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1ccc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169143334 1092558847 /nfs/dbraw/zinc/55/88/47/1092558847.db2.gz ZXIMZOSIYZKBBV-PIIMJCKOSA-N 2 1 314.473 3.463 20 0 DGADMP C[C@]1(O)CCCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931119 1092592558 /nfs/dbraw/zinc/59/25/58/1092592558.db2.gz HRBOLHBNVQZGRY-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931119 1092592568 /nfs/dbraw/zinc/59/25/68/1092592568.db2.gz HRBOLHBNVQZGRY-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931119 1092592575 /nfs/dbraw/zinc/59/25/75/1092592575.db2.gz HRBOLHBNVQZGRY-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP FC1(F)CCC[C@H](Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)C1 ZINC001169213057 1092592767 /nfs/dbraw/zinc/59/27/67/1092592767.db2.gz GACCCFJLUDDVGL-LBPRGKRZSA-N 2 1 306.360 3.011 20 0 DGADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931198 1092593848 /nfs/dbraw/zinc/59/38/48/1092593848.db2.gz HWHBHSZWAAUDDJ-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931198 1092593855 /nfs/dbraw/zinc/59/38/55/1092593855.db2.gz HWHBHSZWAAUDDJ-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931198 1092593864 /nfs/dbraw/zinc/59/38/64/1092593864.db2.gz HWHBHSZWAAUDDJ-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931198 1092593872 /nfs/dbraw/zinc/59/38/72/1092593872.db2.gz HWHBHSZWAAUDDJ-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@H]4OCC[C@H]4C3)C2)cc1 ZINC001208939889 1092600557 /nfs/dbraw/zinc/60/05/57/1092600557.db2.gz KXZIUSNHDSUOCN-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)C2)cc1 ZINC001208939889 1092600561 /nfs/dbraw/zinc/60/05/61/1092600561.db2.gz KXZIUSNHDSUOCN-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@H]4OCC[C@H]4C3)C2)cc1 ZINC001208939889 1092600566 /nfs/dbraw/zinc/60/05/66/1092600566.db2.gz KXZIUSNHDSUOCN-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP COc1c(C)cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1C ZINC001276602289 1092605926 /nfs/dbraw/zinc/60/59/26/1092605926.db2.gz VSJPESHGGFMKJM-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP FC(F)C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954570 1092607934 /nfs/dbraw/zinc/60/79/34/1092607934.db2.gz WKOLUIMNDMJZQY-INIZCTEOSA-N 2 1 308.416 3.486 20 0 DGADMP c1cn(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC001208954579 1092611646 /nfs/dbraw/zinc/61/16/46/1092611646.db2.gz WNIFBUGTFHXOTG-LJQANCHMSA-N 2 1 324.472 3.042 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209071923 1092641896 /nfs/dbraw/zinc/64/18/96/1092641896.db2.gz GSQLHDRZENQCGP-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCCCCCCCC(=O)OC)C[C@@H]2C1 ZINC001209096337 1092649056 /nfs/dbraw/zinc/64/90/56/1092649056.db2.gz GGWCJFDHUCIFBB-HDICACEKSA-N 2 1 324.509 3.164 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCCCCCCCC(=O)OC)C[C@@H]2C1 ZINC001209096337 1092649061 /nfs/dbraw/zinc/64/90/61/1092649061.db2.gz GGWCJFDHUCIFBB-HDICACEKSA-N 2 1 324.509 3.164 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](CCCCCCCCCC(=O)OC)C[C@@H]2C1 ZINC001209096337 1092649067 /nfs/dbraw/zinc/64/90/67/1092649067.db2.gz GGWCJFDHUCIFBB-HDICACEKSA-N 2 1 324.509 3.164 20 0 DGADMP COCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209211770 1092697300 /nfs/dbraw/zinc/69/73/00/1092697300.db2.gz WVOVDGJRYRNJPA-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCOCc3ccccc3)C2)C1 ZINC001209265832 1092719308 /nfs/dbraw/zinc/71/93/08/1092719308.db2.gz VNYQDUDXVGIRCM-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCOCc3ccccc3)C2)C1 ZINC001209265832 1092719318 /nfs/dbraw/zinc/71/93/18/1092719318.db2.gz VNYQDUDXVGIRCM-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCOCc3ccccc3)C2)C1 ZINC001209265832 1092719321 /nfs/dbraw/zinc/71/93/21/1092719321.db2.gz VNYQDUDXVGIRCM-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[N@H+](CCc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001209280094 1092723511 /nfs/dbraw/zinc/72/35/11/1092723511.db2.gz LGNDJCSQSRLMQM-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP C[N@@H+](CCc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001209280094 1092723515 /nfs/dbraw/zinc/72/35/15/1092723515.db2.gz LGNDJCSQSRLMQM-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001209286468 1092724945 /nfs/dbraw/zinc/72/49/45/1092724945.db2.gz SMCHKHLDKHBCBI-CABCVRRESA-N 2 1 312.379 3.131 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206631893 1092727528 /nfs/dbraw/zinc/72/75/28/1092727528.db2.gz CCYUQDUSBXAJSD-OAHLLOKOSA-N 2 1 306.450 3.043 20 0 DGADMP CN(C)c1ccc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001276631347 1092730880 /nfs/dbraw/zinc/73/08/80/1092730880.db2.gz OYWXKVNYMKKEGO-QGZVFWFLSA-N 2 1 307.507 3.122 20 0 DGADMP CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)s1 ZINC001276631347 1092730881 /nfs/dbraw/zinc/73/08/81/1092730881.db2.gz OYWXKVNYMKKEGO-QGZVFWFLSA-N 2 1 307.507 3.122 20 0 DGADMP CN(C)c1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001276631347 1092730891 /nfs/dbraw/zinc/73/08/91/1092730891.db2.gz OYWXKVNYMKKEGO-QGZVFWFLSA-N 2 1 307.507 3.122 20 0 DGADMP COC1CCC(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001209392445 1092753917 /nfs/dbraw/zinc/75/39/17/1092753917.db2.gz IXVOFXUVCTYJCR-UHFFFAOYSA-N 2 1 317.477 3.134 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209412498 1092764607 /nfs/dbraw/zinc/76/46/07/1092764607.db2.gz GOCIRPSJQXYZSI-JKSUJKDBSA-N 2 1 320.502 3.071 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001206632868 1092764807 /nfs/dbraw/zinc/76/48/07/1092764807.db2.gz PLPPZFVHJCEKGM-HNNXBMFYSA-N 2 1 313.420 3.449 20 0 DGADMP c1ccc2c(c1)CC1(CC[NH+](CCC[NH+]3CCCCC3)CC1)O2 ZINC001209452142 1092779373 /nfs/dbraw/zinc/77/93/73/1092779373.db2.gz FHYRLNQNDWDJCX-UHFFFAOYSA-N 2 1 314.473 3.332 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nn(C)c3ccccc23)CC1 ZINC001209581690 1092835511 /nfs/dbraw/zinc/83/55/11/1092835511.db2.gz QBGXQSWTKNNNLH-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209597690 1092842573 /nfs/dbraw/zinc/84/25/73/1092842573.db2.gz YDEINKXWQNWICV-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209597690 1092842583 /nfs/dbraw/zinc/84/25/83/1092842583.db2.gz YDEINKXWQNWICV-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(F)ccc34)C[C@H]2C1 ZINC001209696930 1092883851 /nfs/dbraw/zinc/88/38/51/1092883851.db2.gz ZLBPCUYRBNBVQW-HUUCEWRRSA-N 2 1 301.409 3.081 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccnc3c(Cl)cccc23)C1 ZINC001206640752 1092888989 /nfs/dbraw/zinc/88/89/89/1092888989.db2.gz MVEDRWSIDMYWGZ-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc4cc(OC)ccc4o3)C[C@H]2C1 ZINC001209774865 1092913132 /nfs/dbraw/zinc/91/31/32/1092913132.db2.gz UTIJWCWXSLZTIG-IYBDPMFKSA-N 2 1 314.429 3.215 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4cc(OC)ccc4o3)C[C@@H]2C1 ZINC001209774865 1092913137 /nfs/dbraw/zinc/91/31/37/1092913137.db2.gz UTIJWCWXSLZTIG-IYBDPMFKSA-N 2 1 314.429 3.215 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cc(OC)ccc4o3)C[C@@H]2C1 ZINC001209774865 1092913143 /nfs/dbraw/zinc/91/31/43/1092913143.db2.gz UTIJWCWXSLZTIG-IYBDPMFKSA-N 2 1 314.429 3.215 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cc(OC)ccc4o3)C[C@@H]2C1 ZINC001209774865 1092913151 /nfs/dbraw/zinc/91/31/51/1092913151.db2.gz UTIJWCWXSLZTIG-IYBDPMFKSA-N 2 1 314.429 3.215 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4cc(OC)ccc4o3)C[C@@H]2C1 ZINC001209774865 1092913155 /nfs/dbraw/zinc/91/31/55/1092913155.db2.gz UTIJWCWXSLZTIG-IYBDPMFKSA-N 2 1 314.429 3.215 20 0 DGADMP Fc1ccc(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266660 1093101981 /nfs/dbraw/zinc/10/19/81/1093101981.db2.gz PCOVUTXCINUFGS-UHFFFAOYSA-N 2 1 306.772 3.027 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276698303 1093485329 /nfs/dbraw/zinc/48/53/29/1093485329.db2.gz MVJZMXQKGWBZFI-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cc(Cl)ccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276698303 1093485335 /nfs/dbraw/zinc/48/53/35/1093485335.db2.gz MVJZMXQKGWBZFI-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cc(Cl)ccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276698303 1093485342 /nfs/dbraw/zinc/48/53/42/1093485342.db2.gz MVJZMXQKGWBZFI-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303394499 1093808560 /nfs/dbraw/zinc/80/85/60/1093808560.db2.gz UHZHYASFHYFHOY-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP COc1ccccc1CC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276714785 1093857250 /nfs/dbraw/zinc/85/72/50/1093857250.db2.gz LCZIXIFRKWFISH-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276714785 1093857254 /nfs/dbraw/zinc/85/72/54/1093857254.db2.gz LCZIXIFRKWFISH-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276714785 1093857259 /nfs/dbraw/zinc/85/72/59/1093857259.db2.gz LCZIXIFRKWFISH-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(OCC(F)F)cc1)C2 ZINC001276746993 1094258175 /nfs/dbraw/zinc/25/81/75/1094258175.db2.gz UTGOERGXYKBYKM-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001276746993 1094258182 /nfs/dbraw/zinc/25/81/82/1094258182.db2.gz UTGOERGXYKBYKM-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001276746993 1094258186 /nfs/dbraw/zinc/25/81/86/1094258186.db2.gz UTGOERGXYKBYKM-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[C@H]1C[C@H](N(CC[NH3+])Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000307716023 1094261426 /nfs/dbraw/zinc/26/14/26/1094261426.db2.gz JMYZVJNUZGIDSE-RXVVDRJESA-N 2 1 323.484 3.110 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3NCCC4)C[C@@H]2C1 ZINC001119988063 1094335895 /nfs/dbraw/zinc/33/58/95/1094335895.db2.gz FCQVVRWLSJVINI-YTQUADARSA-N 2 1 313.489 3.207 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@@H]2CC[N@@H+]4CCC[C@H]4C2)[nH+]1)CCCC3 ZINC001120015476 1094348989 /nfs/dbraw/zinc/34/89/89/1094348989.db2.gz XTKCHPZOEOLLRI-KGLIPLIRSA-N 2 1 310.445 3.480 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@@H]2CC[N@H+]4CCC[C@H]4C2)[nH+]1)CCCC3 ZINC001120015476 1094348992 /nfs/dbraw/zinc/34/89/92/1094348992.db2.gz XTKCHPZOEOLLRI-KGLIPLIRSA-N 2 1 310.445 3.480 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)C[C@@H]2C1 ZINC001120070981 1094370932 /nfs/dbraw/zinc/37/09/32/1094370932.db2.gz DZQSYHCKDHHJMG-CEXWTWQISA-N 2 1 312.457 3.125 20 0 DGADMP CC(C)(C)[C@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217697190 1094474366 /nfs/dbraw/zinc/47/43/66/1094474366.db2.gz YFJDGFLSHWGUTE-HUUCEWRRSA-N 2 1 314.433 3.105 20 0 DGADMP CC(C)(C)[C@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217697190 1094474371 /nfs/dbraw/zinc/47/43/71/1094474371.db2.gz YFJDGFLSHWGUTE-HUUCEWRRSA-N 2 1 314.433 3.105 20 0 DGADMP CC(C)(C)[C@@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217697189 1094474600 /nfs/dbraw/zinc/47/46/00/1094474600.db2.gz YFJDGFLSHWGUTE-GJZGRUSLSA-N 2 1 314.433 3.105 20 0 DGADMP CC(C)(C)[C@@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217697189 1094474604 /nfs/dbraw/zinc/47/46/04/1094474604.db2.gz YFJDGFLSHWGUTE-GJZGRUSLSA-N 2 1 314.433 3.105 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001217766371 1094491551 /nfs/dbraw/zinc/49/15/51/1094491551.db2.gz UTJAMNKHMVMWPR-NRFANRHFSA-N 2 1 322.452 3.123 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC[C@H]1CC[C@H]([NH3+])CC1 ZINC001217769431 1094493076 /nfs/dbraw/zinc/49/30/76/1094493076.db2.gz RFGWYIXOWUTZBQ-VBSBHUPXSA-N 2 1 316.489 3.431 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217848452 1094504970 /nfs/dbraw/zinc/50/49/70/1094504970.db2.gz JECSTGKFKSBIFD-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@H]3C[NH2+]CCC34CC4)C2)cc1 ZINC001217912776 1094516119 /nfs/dbraw/zinc/51/61/19/1094516119.db2.gz KIKWJAIZPFXCSL-OALUTQOASA-N 2 1 314.473 3.057 20 0 DGADMP [NH3+]CCCCCCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001217908606 1094516129 /nfs/dbraw/zinc/51/61/29/1094516129.db2.gz HKVBLNJBJKTBCW-QGZVFWFLSA-N 2 1 308.441 3.326 20 0 DGADMP [NH3+][C@H]1CC[C@H](CO[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001217912893 1094517000 /nfs/dbraw/zinc/51/70/00/1094517000.db2.gz WPJDFHWNXUTTEA-DJIMGWMZSA-N 2 1 322.880 3.448 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCCCCCC[NH3+] ZINC001217938331 1094521800 /nfs/dbraw/zinc/52/18/00/1094521800.db2.gz DBVKDLZMEBWJRD-HKUYNNGSSA-N 2 1 304.478 3.433 20 0 DGADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480938 1094548591 /nfs/dbraw/zinc/54/85/91/1094548591.db2.gz MOIGQMZEQKZZKO-CVEARBPZSA-N 2 1 313.530 3.027 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(N4CCCC4)o3)(C1)CCC2 ZINC001276770630 1094606415 /nfs/dbraw/zinc/60/64/15/1094606415.db2.gz PKJKERGGECJTCC-ZWKOTPCHSA-N 2 1 303.450 3.034 20 0 DGADMP CCC[NH+](CCC)c1ccc(Nc2cnn(C3C[NH2+]C3)c2)cc1 ZINC001159539870 1094641334 /nfs/dbraw/zinc/64/13/34/1094641334.db2.gz OIFBXBUWAMJNRO-UHFFFAOYSA-N 2 1 313.449 3.397 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)C(C)(C)C[NH2+]CC3)C2 ZINC001218176370 1094644981 /nfs/dbraw/zinc/64/49/81/1094644981.db2.gz BQKSUUBTIXEMNU-VQFNDLOPSA-N 2 1 314.473 3.114 20 0 DGADMP CC[C@]1(c2cccc(O[C@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218182362 1094646322 /nfs/dbraw/zinc/64/63/22/1094646322.db2.gz SEMUSZLRIORNEL-OALUTQOASA-N 2 1 302.462 3.191 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]CCCC(F)(F)F)CCCC2)CC1 ZINC001336733472 1094715266 /nfs/dbraw/zinc/71/52/66/1094715266.db2.gz BITFVBUYKLIHHQ-UHFFFAOYSA-N 2 1 322.415 3.342 20 0 DGADMP CC1(C)[C@@H]2C[C@@H](Oc3ccc(C[NH+]4CCC([NH3+])CC4)cc3)C[C@@H]21 ZINC001218327139 1094718777 /nfs/dbraw/zinc/71/87/77/1094718777.db2.gz NXTKZBBYQARXGV-LDLYASANSA-N 2 1 314.473 3.423 20 0 DGADMP [NH3+]Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218411032 1094760869 /nfs/dbraw/zinc/76/08/69/1094760869.db2.gz VHIFXMLKROTXAT-QGZVFWFLSA-N 2 1 316.832 3.452 20 0 DGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001336888716 1094774136 /nfs/dbraw/zinc/77/41/36/1094774136.db2.gz LEUNJAIRVNAYQI-RCCFBDPRSA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C[C@H]2C1 ZINC001336890088 1094774550 /nfs/dbraw/zinc/77/45/50/1094774550.db2.gz ZZSJGUCQTCWMAK-RCCFBDPRSA-N 2 1 324.472 3.239 20 0 DGADMP [NH3+]Cc1ccccc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001218440465 1094775045 /nfs/dbraw/zinc/77/50/45/1094775045.db2.gz DYGRASTVUHMIDC-QKNQBKEWSA-N 2 1 322.452 3.435 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001135991647 1094783277 /nfs/dbraw/zinc/78/32/77/1094783277.db2.gz HYYVENZPLDNNAI-SJORKVTESA-N 2 1 323.525 3.092 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218485046 1094808867 /nfs/dbraw/zinc/80/88/67/1094808867.db2.gz YDRZUIMQGAIPBK-JXFKEZNVSA-N 2 1 310.441 3.087 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3ccc(F)cc13)CC2 ZINC001276795584 1094867574 /nfs/dbraw/zinc/86/75/74/1094867574.db2.gz HGBJFPJAWBTJDS-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001337238673 1094906396 /nfs/dbraw/zinc/90/63/96/1094906396.db2.gz LKYIPQSPZVKRFE-UHFFFAOYSA-N 2 1 309.885 3.180 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cccc(F)c3C1)C2 ZINC001170956035 1095014384 /nfs/dbraw/zinc/01/43/84/1095014384.db2.gz SFWHXBZBKOWOPO-NXOAAHMSSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cccc(F)c3C1)C2 ZINC001170956035 1095014396 /nfs/dbraw/zinc/01/43/96/1095014396.db2.gz SFWHXBZBKOWOPO-NXOAAHMSSA-N 2 1 302.437 3.288 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Br ZINC000313749626 1095019515 /nfs/dbraw/zinc/01/95/15/1095019515.db2.gz IKPVRAVAUHHPPZ-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Br ZINC000313749626 1095019529 /nfs/dbraw/zinc/01/95/29/1095019529.db2.gz IKPVRAVAUHHPPZ-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC000313749626 1095019538 /nfs/dbraw/zinc/01/95/38/1095019538.db2.gz IKPVRAVAUHHPPZ-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC000313749626 1095019552 /nfs/dbraw/zinc/01/95/52/1095019552.db2.gz IKPVRAVAUHHPPZ-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001170986889 1095082685 /nfs/dbraw/zinc/08/26/85/1095082685.db2.gz XAZXHAOKDGFQPB-KRWDZBQOSA-N 2 1 302.437 3.243 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170996327 1095100305 /nfs/dbraw/zinc/10/03/05/1095100305.db2.gz KTLZNYYIMCDXHQ-QGZVFWFLSA-N 2 1 304.453 3.489 20 0 DGADMP CC(C)n1ccn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001337804734 1095101768 /nfs/dbraw/zinc/10/17/68/1095101768.db2.gz FVUZYWKSSODLOG-HRCADAONSA-N 2 1 322.522 3.220 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171016983 1095136069 /nfs/dbraw/zinc/13/60/69/1095136069.db2.gz DEMPFWDPSAMAJQ-LVQVYYBASA-N 2 1 304.865 3.412 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(O)cc3ccccc31)CC2 ZINC001276817481 1095175395 /nfs/dbraw/zinc/17/53/95/1095175395.db2.gz DYGAOHZAQUJBNI-UHFFFAOYSA-N 2 1 310.441 3.463 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817831 1095180462 /nfs/dbraw/zinc/18/04/62/1095180462.db2.gz MQLNDSWNHPPVKU-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817831 1095180470 /nfs/dbraw/zinc/18/04/70/1095180470.db2.gz MQLNDSWNHPPVKU-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817831 1095180477 /nfs/dbraw/zinc/18/04/77/1095180477.db2.gz MQLNDSWNHPPVKU-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817831 1095180483 /nfs/dbraw/zinc/18/04/83/1095180483.db2.gz MQLNDSWNHPPVKU-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450726 1095224619 /nfs/dbraw/zinc/22/46/19/1095224619.db2.gz LXNVTGDDOOQFOX-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171064944 1095242877 /nfs/dbraw/zinc/24/28/77/1095242877.db2.gz UVRNKWNBIUBVKG-RISCZKNCSA-N 2 1 313.272 3.392 20 0 DGADMP CC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001115648302 1095317836 /nfs/dbraw/zinc/31/78/36/1095317836.db2.gz KFTHMDRGQPDEGV-UHFFFAOYSA-N 2 1 323.525 3.070 20 0 DGADMP CCOc1ccc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC001143937617 1095442233 /nfs/dbraw/zinc/44/22/33/1095442233.db2.gz SYBLMDOFEHXEOK-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C ZINC001171122073 1095445898 /nfs/dbraw/zinc/44/58/98/1095445898.db2.gz XAGAVAXMQAYPBN-ROUUACIJSA-N 2 1 323.525 3.092 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C ZINC001171122070 1095446053 /nfs/dbraw/zinc/44/60/53/1095446053.db2.gz XAGAVAXMQAYPBN-MSOLQXFVSA-N 2 1 323.525 3.092 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222140998 1095453267 /nfs/dbraw/zinc/45/32/67/1095453267.db2.gz BYLFNCRBIUDBAJ-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222140998 1095453271 /nfs/dbraw/zinc/45/32/71/1095453271.db2.gz BYLFNCRBIUDBAJ-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222148024 1095457285 /nfs/dbraw/zinc/45/72/85/1095457285.db2.gz IENUHMLGTRSIKC-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222148024 1095457294 /nfs/dbraw/zinc/45/72/94/1095457294.db2.gz IENUHMLGTRSIKC-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP COc1ncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1C ZINC001222160575 1095466352 /nfs/dbraw/zinc/46/63/52/1095466352.db2.gz GCFRABHGOXEXRF-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1C ZINC001222160575 1095466358 /nfs/dbraw/zinc/46/63/58/1095466358.db2.gz GCFRABHGOXEXRF-LJQANCHMSA-N 2 1 317.477 3.144 20 0 DGADMP c1[nH]c2ncccc2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160300 1095467594 /nfs/dbraw/zinc/46/75/94/1095467594.db2.gz DYXOUYBQRJVCIG-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP CNc1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166862 1095471484 /nfs/dbraw/zinc/47/14/84/1095471484.db2.gz DIOPOUHEMBHGTI-IBGZPJMESA-N 2 1 301.478 3.474 20 0 DGADMP c1cc2ccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)nc2[nH]1 ZINC001222167353 1095474516 /nfs/dbraw/zinc/47/45/16/1095474516.db2.gz KSHYTTGYFXWDCB-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP CCOc1cncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171958 1095475604 /nfs/dbraw/zinc/47/56/04/1095475604.db2.gz GODUNWLMBAZCRG-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1cncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171958 1095475607 /nfs/dbraw/zinc/47/56/07/1095475607.db2.gz GODUNWLMBAZCRG-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC001116291798 1095505117 /nfs/dbraw/zinc/50/51/17/1095505117.db2.gz WGIJHMNHKYHDSP-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP c1ccc(COCCCC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237234 1095505699 /nfs/dbraw/zinc/50/56/99/1095505699.db2.gz GHMUOQZXFVFWOU-LJQANCHMSA-N 2 1 302.462 3.201 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC001116288039 1095506229 /nfs/dbraw/zinc/50/62/29/1095506229.db2.gz BLMXQZZBOPWIFU-DNVCBOLYSA-N 2 1 302.462 3.394 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1C ZINC001222264744 1095520507 /nfs/dbraw/zinc/52/05/07/1095520507.db2.gz IMTCZEFKKALOOC-LJQANCHMSA-N 2 1 302.462 3.278 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(CC)c(O)c(CC)c3)C[C@@H]2C1 ZINC001144150123 1095537316 /nfs/dbraw/zinc/53/73/16/1095537316.db2.gz UUANXPUTCXHNEZ-KDURUIRLSA-N 2 1 316.489 3.291 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(CC)c(O)c(CC)c3)C[C@@H]2C1 ZINC001144150123 1095537324 /nfs/dbraw/zinc/53/73/24/1095537324.db2.gz UUANXPUTCXHNEZ-KDURUIRLSA-N 2 1 316.489 3.291 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(CC)c(O)c(CC)c3)C[C@@H]2C1 ZINC001144150123 1095537331 /nfs/dbraw/zinc/53/73/31/1095537331.db2.gz UUANXPUTCXHNEZ-KDURUIRLSA-N 2 1 316.489 3.291 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(CC)c(O)c(CC)c3)C[C@@H]2C1 ZINC001144150123 1095537341 /nfs/dbraw/zinc/53/73/41/1095537341.db2.gz UUANXPUTCXHNEZ-KDURUIRLSA-N 2 1 316.489 3.291 20 0 DGADMP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]CC4)c2O1 ZINC001222314594 1095545956 /nfs/dbraw/zinc/54/59/56/1095545956.db2.gz ILIVHXAQKWAAHW-MRXNPFEDSA-N 2 1 324.371 3.116 20 0 DGADMP FC1(F)Oc2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c2O1 ZINC001222314594 1095545967 /nfs/dbraw/zinc/54/59/67/1095545967.db2.gz ILIVHXAQKWAAHW-MRXNPFEDSA-N 2 1 324.371 3.116 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccn1 ZINC001222316831 1095548409 /nfs/dbraw/zinc/54/84/09/1095548409.db2.gz ZDSLSKRZZITNEZ-LJQANCHMSA-N 2 1 301.478 3.487 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC001246547338 1095553865 /nfs/dbraw/zinc/55/38/65/1095553865.db2.gz PESSAPCPMVADLI-ZIAGYGMSSA-N 2 1 323.278 3.120 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222359945 1095572326 /nfs/dbraw/zinc/57/23/26/1095572326.db2.gz CAZYYOLBODJMDX-CEVCPLMDSA-N 2 1 318.505 3.047 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222359945 1095572341 /nfs/dbraw/zinc/57/23/41/1095572341.db2.gz CAZYYOLBODJMDX-CEVCPLMDSA-N 2 1 318.505 3.047 20 0 DGADMP CCOC(=O)CCCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385097 1095584373 /nfs/dbraw/zinc/58/43/73/1095584373.db2.gz GEXGGLWWIWAPDJ-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385097 1095584384 /nfs/dbraw/zinc/58/43/84/1095584384.db2.gz GEXGGLWWIWAPDJ-GOSISDBHSA-N 2 1 310.482 3.108 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3cnn(C(C)C)c32)CC1 ZINC001116603817 1095613704 /nfs/dbraw/zinc/61/37/04/1095613704.db2.gz JCYXBORTHYQORL-KRWDZBQOSA-N 2 1 304.482 3.305 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170137 1095628904 /nfs/dbraw/zinc/62/89/04/1095628904.db2.gz NHAGAAYYSSFXLD-ZCNNSNEGSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170137 1095628910 /nfs/dbraw/zinc/62/89/10/1095628910.db2.gz NHAGAAYYSSFXLD-ZCNNSNEGSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170137 1095628918 /nfs/dbraw/zinc/62/89/18/1095628918.db2.gz NHAGAAYYSSFXLD-ZCNNSNEGSA-N 2 1 318.505 3.346 20 0 DGADMP CCOc1c(Cl)ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1F ZINC001222542284 1095659910 /nfs/dbraw/zinc/65/99/10/1095659910.db2.gz CWKVTUZFIPFSCQ-UHFFFAOYSA-N 2 1 318.795 3.141 20 0 DGADMP COc1cc(Cl)c(C[NH+]2CCC(F)(C[NH3+])CC2)c(Cl)c1 ZINC001222542687 1095659948 /nfs/dbraw/zinc/65/99/48/1095659948.db2.gz JSWGVHSRXPXKRU-UHFFFAOYSA-N 2 1 321.223 3.265 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001222548589 1095661578 /nfs/dbraw/zinc/66/15/78/1095661578.db2.gz SXVGNKFRBPGTPG-UHFFFAOYSA-N 2 1 323.412 3.212 20 0 DGADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2CC2CC2)cc1 ZINC001222576138 1095674811 /nfs/dbraw/zinc/67/48/11/1095674811.db2.gz QRKFWGLYCCVORF-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222595811 1095682877 /nfs/dbraw/zinc/68/28/77/1095682877.db2.gz JQNXZMLFYZQLLG-FQEVSTJZSA-N 2 1 306.453 3.438 20 0 DGADMP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222623167 1095698541 /nfs/dbraw/zinc/69/85/41/1095698541.db2.gz DHSUUTQMLPOPSY-KYHPRHEASA-N 2 1 304.865 3.375 20 0 DGADMP COc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001137995077 1095822532 /nfs/dbraw/zinc/82/25/32/1095822532.db2.gz PZQKZWVPHICSML-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)F)c(OC)c1 ZINC001276866615 1095881502 /nfs/dbraw/zinc/88/15/02/1095881502.db2.gz RNJFYSIFYOENCV-AGUYFDCRSA-N 2 1 310.388 3.348 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)F)c(OC)c1 ZINC001276866615 1095881521 /nfs/dbraw/zinc/88/15/21/1095881521.db2.gz RNJFYSIFYOENCV-AGUYFDCRSA-N 2 1 310.388 3.348 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001118017913 1095922340 /nfs/dbraw/zinc/92/23/40/1095922340.db2.gz COHIFNGIOYBZKU-GJZGRUSLSA-N 2 1 300.450 3.116 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001118017913 1095922351 /nfs/dbraw/zinc/92/23/51/1095922351.db2.gz COHIFNGIOYBZKU-GJZGRUSLSA-N 2 1 300.450 3.116 20 0 DGADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC001118284095 1095976120 /nfs/dbraw/zinc/97/61/20/1095976120.db2.gz IYCOOBDUJRCBSU-MRXNPFEDSA-N 2 1 312.461 3.132 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001118815446 1096084939 /nfs/dbraw/zinc/08/49/39/1096084939.db2.gz JDJCRLGEANKFGG-CYBMUJFWSA-N 2 1 319.836 3.234 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc3c(c2)CCC3)[C@H]2CCC[C@H]21 ZINC001340981912 1096085730 /nfs/dbraw/zinc/08/57/30/1096085730.db2.gz SHYDTXPEDAIIQQ-HSALFYBXSA-N 2 1 314.473 3.017 20 0 DGADMP c1ccc([C@H]2CC[C@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)O2)cc1 ZINC001119290363 1096154444 /nfs/dbraw/zinc/15/44/44/1096154444.db2.gz SRTMZJUIPFEUFS-RTBURBONSA-N 2 1 314.473 3.372 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001119773594 1096258415 /nfs/dbraw/zinc/25/84/15/1096258415.db2.gz UYENCBRAFFDLAB-FVQHAEBGSA-N 2 1 318.461 3.437 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@H]1CCCC[NH+]1C ZINC001224706660 1096267777 /nfs/dbraw/zinc/26/77/77/1096267777.db2.gz KXMPTKKDQCOZTG-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@H]1CCCC[N@@H+]1C ZINC001224706660 1096267784 /nfs/dbraw/zinc/26/77/84/1096267784.db2.gz KXMPTKKDQCOZTG-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224706660 1096267788 /nfs/dbraw/zinc/26/77/88/1096267788.db2.gz KXMPTKKDQCOZTG-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP CC[N@H+]1CC[C@@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224830416 1096296386 /nfs/dbraw/zinc/29/63/86/1096296386.db2.gz NYEDARJFQMAYEG-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224830416 1096296394 /nfs/dbraw/zinc/29/63/94/1096296394.db2.gz NYEDARJFQMAYEG-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830416 1096296401 /nfs/dbraw/zinc/29/64/01/1096296401.db2.gz NYEDARJFQMAYEG-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H](n1cc[nH+]c1CCC[NH3+])CC2 ZINC001171318108 1096299042 /nfs/dbraw/zinc/29/90/42/1096299042.db2.gz XYHPWOOKCXSLDC-GFCCVEGCSA-N 2 1 319.836 3.166 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001226614852 1096734042 /nfs/dbraw/zinc/73/40/42/1096734042.db2.gz UFCJMJLUDMVJET-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP FC(F)(F)c1cccc(CC[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001226785392 1096778116 /nfs/dbraw/zinc/77/81/16/1096778116.db2.gz RJNLIXNNZUWEHF-UHFFFAOYSA-N 2 1 312.379 3.466 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226891288 1096804874 /nfs/dbraw/zinc/80/48/74/1096804874.db2.gz SWVAYCCIFUDMQA-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226891289 1096805421 /nfs/dbraw/zinc/80/54/21/1096805421.db2.gz SWVAYCCIFUDMQA-RCCFBDPRSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506169 1096913265 /nfs/dbraw/zinc/91/32/65/1096913265.db2.gz SRBSFBRPPZBXMD-OLZOCXBDSA-N 2 1 312.379 3.035 20 0 DGADMP CC(C)[N@H+]1CC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171628892 1096930363 /nfs/dbraw/zinc/93/03/63/1096930363.db2.gz LPGFVMJMGQKQHK-RDJZCZTQSA-N 2 1 309.542 3.346 20 0 DGADMP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171628892 1096930367 /nfs/dbraw/zinc/93/03/67/1096930367.db2.gz LPGFVMJMGQKQHK-RDJZCZTQSA-N 3 1 309.542 3.346 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171628892 1096930371 /nfs/dbraw/zinc/93/03/71/1096930371.db2.gz LPGFVMJMGQKQHK-RDJZCZTQSA-N 3 1 309.542 3.346 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncn2CC2CC2)CC1(C)C ZINC001171631309 1096931276 /nfs/dbraw/zinc/93/12/76/1096931276.db2.gz YOLNFTXTUGUGSF-UHFFFAOYSA-N 2 1 304.482 3.034 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc3c(c2)OCO3)CC1(C)C ZINC001171618342 1096935408 /nfs/dbraw/zinc/93/54/08/1096935408.db2.gz VSZNTVJXANNDNV-UHFFFAOYSA-N 2 1 304.434 3.156 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171620630 1096935689 /nfs/dbraw/zinc/93/56/89/1096935689.db2.gz ANPOLRHFYDHSOW-UHFFFAOYSA-N 2 1 305.466 3.221 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H](CCO)c2ccccc2)CC1(C)C ZINC001171620156 1096935700 /nfs/dbraw/zinc/93/57/00/1096935700.db2.gz VQAMEODPWKWWKM-KRWDZBQOSA-N 2 1 304.478 3.351 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171638138 1096948043 /nfs/dbraw/zinc/94/80/43/1096948043.db2.gz TXDQXTWCIDBOFF-AWEZNQCLSA-N 2 1 324.509 3.301 20 0 DGADMP CC(C)[N@@H+](C1CCN(C)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641332 1096949172 /nfs/dbraw/zinc/94/91/72/1096949172.db2.gz OWOXWOAUXUPWSM-UHFFFAOYSA-N 2 1 309.542 3.442 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)CC1 ZINC001171639803 1096949413 /nfs/dbraw/zinc/94/94/13/1096949413.db2.gz UMZPMNYLFVNRND-UHFFFAOYSA-N 3 1 307.526 3.056 20 0 DGADMP CN1C(C)(C)CC([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1(C)C ZINC001171639803 1096949420 /nfs/dbraw/zinc/94/94/20/1096949420.db2.gz UMZPMNYLFVNRND-UHFFFAOYSA-N 2 1 307.526 3.056 20 0 DGADMP CN1C(C)(C)CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1(C)C ZINC001171639803 1096949425 /nfs/dbraw/zinc/94/94/25/1096949425.db2.gz UMZPMNYLFVNRND-UHFFFAOYSA-N 2 1 307.526 3.056 20 0 DGADMP C[C@@H]1C[C@@H](Nc2ccc(CC[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171727269 1096955629 /nfs/dbraw/zinc/95/56/29/1096955629.db2.gz UHHJTBKAQOJGMF-OXQOHEQNSA-N 2 1 309.457 3.263 20 0 DGADMP CCN([C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171758654 1096963612 /nfs/dbraw/zinc/96/36/12/1096963612.db2.gz ZRBXUPNCJQKSDU-YLJYHZDGSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001227727310 1096977202 /nfs/dbraw/zinc/97/72/02/1096977202.db2.gz DNKMCZOUYYVLDS-QZTJIDSGSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001171958542 1097004572 /nfs/dbraw/zinc/00/45/72/1097004572.db2.gz BBTWUZIELDBISJ-OCCSQVGLSA-N 2 1 300.368 3.178 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965714 1097007852 /nfs/dbraw/zinc/00/78/52/1097007852.db2.gz QMSVBKHFOSAJPQ-SFHVURJKSA-N 2 1 304.478 3.444 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153242 1097019574 /nfs/dbraw/zinc/01/95/74/1097019574.db2.gz CITMWWLQWJTESE-JKSUJKDBSA-N 2 1 316.461 3.041 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153242 1097019581 /nfs/dbraw/zinc/01/95/81/1097019581.db2.gz CITMWWLQWJTESE-JKSUJKDBSA-N 2 1 316.461 3.041 20 0 DGADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976016 1097022952 /nfs/dbraw/zinc/02/29/52/1097022952.db2.gz OONVLMWLJZCQQT-KZNAEPCWSA-N 2 1 316.489 3.179 20 0 DGADMP CC1(C)C[C@H](Nc2ccc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC001171975822 1097024261 /nfs/dbraw/zinc/02/42/61/1097024261.db2.gz ODXNXTGJVOCTGJ-QGZVFWFLSA-N 2 1 324.472 3.395 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@H+]1C ZINC001171987941 1097029833 /nfs/dbraw/zinc/02/98/33/1097029833.db2.gz MJTGZKVCJWHTOY-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC001171987941 1097029836 /nfs/dbraw/zinc/02/98/36/1097029836.db2.gz MJTGZKVCJWHTOY-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC001171987941 1097029841 /nfs/dbraw/zinc/02/98/41/1097029841.db2.gz MJTGZKVCJWHTOY-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCC2COC2)C3)cc1 ZINC001172072417 1097038154 /nfs/dbraw/zinc/03/81/54/1097038154.db2.gz MKOFRRWFVUOQJZ-OWZKRDHZSA-N 2 1 314.473 3.198 20 0 DGADMP OC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172074085 1097038863 /nfs/dbraw/zinc/03/88/63/1097038863.db2.gz UDFLSQIGLWECFD-REPLKXPHSA-N 2 1 314.473 3.077 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1ccc(Cl)cc1)C2 ZINC001172099119 1097041931 /nfs/dbraw/zinc/04/19/31/1097041931.db2.gz IWIPUNOOPLYRDE-PHZGNYQRSA-N 2 1 308.853 3.324 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100917 1097041965 /nfs/dbraw/zinc/04/19/65/1097041965.db2.gz VBEWDIUZUAISJF-CADBVGFASA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100917 1097041972 /nfs/dbraw/zinc/04/19/72/1097041972.db2.gz VBEWDIUZUAISJF-CADBVGFASA-N 2 1 314.473 3.157 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065620 1097043578 /nfs/dbraw/zinc/04/35/78/1097043578.db2.gz PIFZOAKIPSUSJD-LDLYASANSA-N 2 1 316.489 3.323 20 0 DGADMP OCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067785 1097046106 /nfs/dbraw/zinc/04/61/06/1097046106.db2.gz NUPFXINHWWBEMR-OWZKRDHZSA-N 2 1 316.489 3.324 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC3(C)C)CC1)C2 ZINC001172127086 1097047822 /nfs/dbraw/zinc/04/78/22/1097047822.db2.gz GVEVQGXDRCRJLH-FVQHAEBGSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC3(C)C)CC1)C2 ZINC001172127086 1097047827 /nfs/dbraw/zinc/04/78/27/1097047827.db2.gz GVEVQGXDRCRJLH-FVQHAEBGSA-N 2 1 306.494 3.283 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172129962 1097049217 /nfs/dbraw/zinc/04/92/17/1097049217.db2.gz FRVFHTZVQRQNOL-FVQHAEBGSA-N 2 1 316.445 3.253 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129962 1097049221 /nfs/dbraw/zinc/04/92/21/1097049221.db2.gz FRVFHTZVQRQNOL-FVQHAEBGSA-N 2 1 316.445 3.253 20 0 DGADMP CC[NH+](Cc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129962 1097049239 /nfs/dbraw/zinc/04/92/39/1097049239.db2.gz FRVFHTZVQRQNOL-FVQHAEBGSA-N 2 1 316.445 3.253 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157565 1097049291 /nfs/dbraw/zinc/04/92/91/1097049291.db2.gz ZQIITDGWUGRGLP-KBPBESRZSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157565 1097049292 /nfs/dbraw/zinc/04/92/92/1097049292.db2.gz ZQIITDGWUGRGLP-KBPBESRZSA-N 2 1 304.331 3.009 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131381 1097050425 /nfs/dbraw/zinc/05/04/25/1097050425.db2.gz WNELDFJJBOLPLD-BWTSREIZSA-N 2 1 322.456 3.203 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131386 1097051092 /nfs/dbraw/zinc/05/10/92/1097051092.db2.gz WNELDFJJBOLPLD-REPLKXPHSA-N 2 1 322.456 3.203 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cc(F)ccc31)C2 ZINC001172102823 1097053503 /nfs/dbraw/zinc/05/35/03/1097053503.db2.gz PEONFPITWVXQFA-FVQHAEBGSA-N 2 1 315.436 3.469 20 0 DGADMP COc1ccc2c(C[NH3+])cn([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001172110370 1097056074 /nfs/dbraw/zinc/05/60/74/1097056074.db2.gz MYNGGBXJMOKQFI-ZSHCYNCHSA-N 2 1 313.445 3.296 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172113285 1097058947 /nfs/dbraw/zinc/05/89/47/1097058947.db2.gz IDZGQJMUTVHQSO-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172113285 1097058952 /nfs/dbraw/zinc/05/89/52/1097058952.db2.gz IDZGQJMUTVHQSO-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172113285 1097058957 /nfs/dbraw/zinc/05/89/57/1097058957.db2.gz IDZGQJMUTVHQSO-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172112130 1097059049 /nfs/dbraw/zinc/05/90/49/1097059049.db2.gz RXIHNYLRKQVOAT-RCJHGTSTSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COc3ccc(Cl)cc31)C2 ZINC001172113348 1097059965 /nfs/dbraw/zinc/05/99/65/1097059965.db2.gz GNZLSCVKLAOPAV-HGTKMLMNSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COc3ccc(Cl)cc31)C2 ZINC001172113348 1097059970 /nfs/dbraw/zinc/05/99/70/1097059970.db2.gz GNZLSCVKLAOPAV-HGTKMLMNSA-N 2 1 306.837 3.378 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)OCO2 ZINC001172114612 1097060908 /nfs/dbraw/zinc/06/09/08/1097060908.db2.gz OVBHAUSASLWPJF-DMRZNYOFSA-N 2 1 302.418 3.081 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCO2 ZINC001172114612 1097060914 /nfs/dbraw/zinc/06/09/14/1097060914.db2.gz OVBHAUSASLWPJF-DMRZNYOFSA-N 2 1 302.418 3.081 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114634 1097061123 /nfs/dbraw/zinc/06/11/23/1097061123.db2.gz OWUIRLPDGKJGDB-RCJHGTSTSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114634 1097061130 /nfs/dbraw/zinc/06/11/30/1097061130.db2.gz OWUIRLPDGKJGDB-RCJHGTSTSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cnccc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172114677 1097061245 /nfs/dbraw/zinc/06/12/45/1097061245.db2.gz SECGAWFPZQTAEQ-OAFZBRQQSA-N 2 1 315.461 3.146 20 0 DGADMP C[NH+](C)CCN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115024 1097061419 /nfs/dbraw/zinc/06/14/19/1097061419.db2.gz TXQOVYSFVBMSQS-ACDBMABISA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113983 1097062248 /nfs/dbraw/zinc/06/22/48/1097062248.db2.gz NGYLHXRUVUNIMG-YCEIQTCASA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113983 1097062253 /nfs/dbraw/zinc/06/22/53/1097062253.db2.gz NGYLHXRUVUNIMG-YCEIQTCASA-N 3 1 307.526 3.244 20 0 DGADMP CN(CCC(=O)c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124358 1097065833 /nfs/dbraw/zinc/06/58/33/1097065833.db2.gz KXBMTJYEJFIMQR-BCDXTJNWSA-N 2 1 300.446 3.207 20 0 DGADMP CN(CCC(=O)c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124358 1097065836 /nfs/dbraw/zinc/06/58/36/1097065836.db2.gz KXBMTJYEJFIMQR-BCDXTJNWSA-N 2 1 300.446 3.207 20 0 DGADMP CN(CCC(=O)c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124365 1097065978 /nfs/dbraw/zinc/06/59/78/1097065978.db2.gz KXBMTJYEJFIMQR-PIIMJCKOSA-N 2 1 300.446 3.207 20 0 DGADMP CN(CCC(=O)c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124365 1097065985 /nfs/dbraw/zinc/06/59/85/1097065985.db2.gz KXBMTJYEJFIMQR-PIIMJCKOSA-N 2 1 300.446 3.207 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C2(c3ccc(C)cc3)CC2)CC1 ZINC001172247858 1097090641 /nfs/dbraw/zinc/09/06/41/1097090641.db2.gz YPLZAUYYFULIIB-UHFFFAOYSA-N 2 1 302.462 3.075 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001172253163 1097091711 /nfs/dbraw/zinc/09/17/11/1097091711.db2.gz FCZNEICRJBCABI-UHFFFAOYSA-N 2 1 312.473 3.092 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001172253163 1097091717 /nfs/dbraw/zinc/09/17/17/1097091717.db2.gz FCZNEICRJBCABI-UHFFFAOYSA-N 2 1 312.473 3.092 20 0 DGADMP COCCC[NH+]1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC001172253079 1097091930 /nfs/dbraw/zinc/09/19/30/1097091930.db2.gz BHTZMQVWFMJIBE-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001172253079 1097091936 /nfs/dbraw/zinc/09/19/36/1097091936.db2.gz BHTZMQVWFMJIBE-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CO1 ZINC001172286974 1097105180 /nfs/dbraw/zinc/10/51/80/1097105180.db2.gz HUPPCKICFZILDW-QGZVFWFLSA-N 2 1 318.461 3.135 20 0 DGADMP CCCCCC[C@@H](CCC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172377388 1097112935 /nfs/dbraw/zinc/11/29/35/1097112935.db2.gz BDNBTLQVZWIGGO-HZPDHXFCSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C ZINC001172359615 1097125058 /nfs/dbraw/zinc/12/50/58/1097125058.db2.gz KVNGZMSXLAFVRE-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172409681 1097131520 /nfs/dbraw/zinc/13/15/20/1097131520.db2.gz BCTDVPUWXVIROU-YQVWRLOYSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172409681 1097131522 /nfs/dbraw/zinc/13/15/22/1097131522.db2.gz BCTDVPUWXVIROU-YQVWRLOYSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172409678 1097131745 /nfs/dbraw/zinc/13/17/45/1097131745.db2.gz BCTDVPUWXVIROU-JENIJYKNSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172409678 1097131747 /nfs/dbraw/zinc/13/17/47/1097131747.db2.gz BCTDVPUWXVIROU-JENIJYKNSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172425897 1097136743 /nfs/dbraw/zinc/13/67/43/1097136743.db2.gz FKLBZTUSLOFIFE-DFQSSKMNSA-N 2 1 316.489 3.255 20 0 DGADMP CCOCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172430657 1097138928 /nfs/dbraw/zinc/13/89/28/1097138928.db2.gz JEIWQSXCUORBOR-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172430657 1097138930 /nfs/dbraw/zinc/13/89/30/1097138930.db2.gz JEIWQSXCUORBOR-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CCOCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172430657 1097138932 /nfs/dbraw/zinc/13/89/32/1097138932.db2.gz JEIWQSXCUORBOR-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@H](CC(C)C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172401120 1097145578 /nfs/dbraw/zinc/14/55/78/1097145578.db2.gz JUJFXPJICVHOLX-QGZVFWFLSA-N 2 1 318.509 3.162 20 0 DGADMP Cc1cccc(N([C@@H](C)CCOC(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172455404 1097160385 /nfs/dbraw/zinc/16/03/85/1097160385.db2.gz TZJBXPIRUDZISL-INIZCTEOSA-N 2 1 305.466 3.152 20 0 DGADMP CCCCCC[C@H](CCCC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001172516596 1097175913 /nfs/dbraw/zinc/17/59/13/1097175913.db2.gz KBNVWNZQHKHTHS-JKSUJKDBSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172575475 1097184669 /nfs/dbraw/zinc/18/46/69/1097184669.db2.gz IAYLVZFNBZIYLH-GHMZBOCLSA-N 2 1 304.812 3.466 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)c(C(F)(F)F)c3)[C@H]2C1 ZINC001204089296 1097185776 /nfs/dbraw/zinc/18/57/76/1097185776.db2.gz LYLMJBXYSQULKF-HUBLWGQQSA-N 2 1 316.342 3.274 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001172618671 1097196908 /nfs/dbraw/zinc/19/69/08/1097196908.db2.gz YYSJHUNADXXPHV-FGTMMUONSA-N 2 1 322.493 3.059 20 0 DGADMP CC1(C)CC([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC(C)(C)O1 ZINC001172653318 1097203538 /nfs/dbraw/zinc/20/35/38/1097203538.db2.gz FVUOCSYYZMBIHW-UHFFFAOYSA-N 2 1 317.477 3.068 20 0 DGADMP CC[C@@H](c1cccc(O[C@@H]2CC[N@@H+](C)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228896740 1097213169 /nfs/dbraw/zinc/21/31/69/1097213169.db2.gz AVSBDHVZOCNHCQ-KFKAGJAMSA-N 2 1 304.478 3.461 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)C1CCC2(CCCC2)CC1 ZINC001172728548 1097218983 /nfs/dbraw/zinc/21/89/83/1097218983.db2.gz HCXJWKSBMLLQFO-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172746321 1097223769 /nfs/dbraw/zinc/22/37/69/1097223769.db2.gz NZFDDVHZWFOSDK-SJORKVTESA-N 2 1 320.477 3.204 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780758 1097240465 /nfs/dbraw/zinc/24/04/65/1097240465.db2.gz TUUNUNVOFBNBNV-QBPKDAKJSA-N 2 1 310.482 3.089 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(c3cccnc3)CC1)CC2 ZINC001172828566 1097249885 /nfs/dbraw/zinc/24/98/85/1097249885.db2.gz NCWUREIZSNVBNS-FQEVSTJZSA-N 2 1 321.468 3.197 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172865573 1097255205 /nfs/dbraw/zinc/25/52/05/1097255205.db2.gz CZUVUUXDPNNBTJ-CFVMTHIKSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172865573 1097255211 /nfs/dbraw/zinc/25/52/11/1097255211.db2.gz CZUVUUXDPNNBTJ-CFVMTHIKSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172865573 1097255215 /nfs/dbraw/zinc/25/52/15/1097255215.db2.gz CZUVUUXDPNNBTJ-CFVMTHIKSA-N 2 1 310.844 3.294 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928861 1097284355 /nfs/dbraw/zinc/28/43/55/1097284355.db2.gz LYNOQQSUBBQAQX-NCXUSEDFSA-N 2 1 317.477 3.111 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172939093 1097287135 /nfs/dbraw/zinc/28/71/35/1097287135.db2.gz OFGOFOZYHOXNMJ-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172939093 1097287140 /nfs/dbraw/zinc/28/71/40/1097287140.db2.gz OFGOFOZYHOXNMJ-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172939093 1097287146 /nfs/dbraw/zinc/28/71/46/1097287146.db2.gz OFGOFOZYHOXNMJ-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP FCC[NH+]1CCC(Oc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001229448687 1097323287 /nfs/dbraw/zinc/32/32/87/1097323287.db2.gz NPKDDIMCUXMMNA-UHFFFAOYSA-N 2 1 320.452 3.485 20 0 DGADMP CCOC(=O)C[C@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173108365 1097331487 /nfs/dbraw/zinc/33/14/87/1097331487.db2.gz DBJWAUOHQLSUDA-WWDZGPRUSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@]1(C)CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173113619 1097332804 /nfs/dbraw/zinc/33/28/04/1097332804.db2.gz XQQURKRYJFQHDT-FAFZWHIHSA-N 2 1 324.509 3.305 20 0 DGADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173111265 1097333366 /nfs/dbraw/zinc/33/33/66/1097333366.db2.gz ACVNVELFTOVKIL-ABHNRTSZSA-N 2 1 323.525 3.020 20 0 DGADMP CCOC(=O)[C@H]1CCCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173115142 1097333884 /nfs/dbraw/zinc/33/38/84/1097333884.db2.gz WZWJLPOVKWKJLJ-OFLPRAFFSA-N 2 1 310.482 3.057 20 0 DGADMP Cn1c2ccccc2[nH+]c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212709348 1097352237 /nfs/dbraw/zinc/35/22/37/1097352237.db2.gz PKGFNALLHAVMKK-UHFFFAOYSA-N 2 1 321.428 3.069 20 0 DGADMP C[C@@H](c1cccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1)[NH+](C)C ZINC001229621631 1097354513 /nfs/dbraw/zinc/35/45/13/1097354513.db2.gz HYYXIQKQUSJVKK-ITQYTPKQSA-N 2 1 302.462 3.418 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001173174516 1097355581 /nfs/dbraw/zinc/35/55/81/1097355581.db2.gz WWUIUCNDVJKGHD-IJXRJRJASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001173174516 1097355584 /nfs/dbraw/zinc/35/55/84/1097355584.db2.gz WWUIUCNDVJKGHD-IJXRJRJASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001173174516 1097355587 /nfs/dbraw/zinc/35/55/87/1097355587.db2.gz WWUIUCNDVJKGHD-IJXRJRJASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171095 1097366080 /nfs/dbraw/zinc/36/60/80/1097366080.db2.gz GEBQWZMIYAXPTI-JFRXWTBNSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171095 1097366083 /nfs/dbraw/zinc/36/60/83/1097366083.db2.gz GEBQWZMIYAXPTI-JFRXWTBNSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCC(Oc4ccccc4)CC3)C2)C1 ZINC001173205068 1097379579 /nfs/dbraw/zinc/37/95/79/1097379579.db2.gz COZCGECELZBQCE-LYBXBRPPSA-N 2 1 314.473 3.404 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC(Oc4ccccc4)CC3)C2)C1 ZINC001173205068 1097379587 /nfs/dbraw/zinc/37/95/87/1097379587.db2.gz COZCGECELZBQCE-LYBXBRPPSA-N 2 1 314.473 3.404 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC(Oc4ccccc4)CC3)C2)C1 ZINC001173205068 1097379590 /nfs/dbraw/zinc/37/95/90/1097379590.db2.gz COZCGECELZBQCE-LYBXBRPPSA-N 2 1 314.473 3.404 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001173268633 1097389776 /nfs/dbraw/zinc/38/97/76/1097389776.db2.gz ZINBLTPNHXQWOL-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)C1 ZINC001173276615 1097409788 /nfs/dbraw/zinc/40/97/88/1097409788.db2.gz JEDZEPFDBLFYHB-IJXRJRJASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276615 1097409791 /nfs/dbraw/zinc/40/97/91/1097409791.db2.gz JEDZEPFDBLFYHB-IJXRJRJASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276615 1097409794 /nfs/dbraw/zinc/40/97/94/1097409794.db2.gz JEDZEPFDBLFYHB-IJXRJRJASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)C1 ZINC001173276613 1097410274 /nfs/dbraw/zinc/41/02/74/1097410274.db2.gz JEDZEPFDBLFYHB-FRYIKTPZSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276613 1097410278 /nfs/dbraw/zinc/41/02/78/1097410278.db2.gz JEDZEPFDBLFYHB-FRYIKTPZSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276613 1097410283 /nfs/dbraw/zinc/41/02/83/1097410283.db2.gz JEDZEPFDBLFYHB-FRYIKTPZSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284370 1097414297 /nfs/dbraw/zinc/41/42/97/1097414297.db2.gz ZHRSBEPYSMDUAM-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284370 1097414300 /nfs/dbraw/zinc/41/43/00/1097414300.db2.gz ZHRSBEPYSMDUAM-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001173284370 1097414301 /nfs/dbraw/zinc/41/43/01/1097414301.db2.gz ZHRSBEPYSMDUAM-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001173284370 1097414305 /nfs/dbraw/zinc/41/43/05/1097414305.db2.gz ZHRSBEPYSMDUAM-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CCN1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173353254 1097423942 /nfs/dbraw/zinc/42/39/42/1097423942.db2.gz BRTYFGFSSDEKFY-FHWLQOOXSA-N 2 1 307.526 3.233 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[NH+](CC)C2)CC1 ZINC001173365981 1097432310 /nfs/dbraw/zinc/43/23/10/1097432310.db2.gz UEKSKVWUSRZEFV-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001173365981 1097432313 /nfs/dbraw/zinc/43/23/13/1097432313.db2.gz UEKSKVWUSRZEFV-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365981 1097432316 /nfs/dbraw/zinc/43/23/16/1097432316.db2.gz UEKSKVWUSRZEFV-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173479441 1097446861 /nfs/dbraw/zinc/44/68/61/1097446861.db2.gz GIQOQYURWYEXMW-CYBMUJFWSA-N 2 1 308.416 3.273 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629878 1097477282 /nfs/dbraw/zinc/47/72/82/1097477282.db2.gz CMWPWVRMDCIOGR-AHCXZYCDSA-N 2 1 322.493 3.233 20 0 DGADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700473 1097497674 /nfs/dbraw/zinc/49/76/74/1097497674.db2.gz JBKAYJLUXCQHDR-LJQANCHMSA-N 2 1 324.468 3.450 20 0 DGADMP Nc1[nH]c2ccc(O[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001230509097 1097500453 /nfs/dbraw/zinc/50/04/53/1097500453.db2.gz ZXLGEBHQYUNMHB-MRXNPFEDSA-N 2 1 322.412 3.189 20 0 DGADMP Nc1[nH]c2cc(O[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001230509097 1097500456 /nfs/dbraw/zinc/50/04/56/1097500456.db2.gz ZXLGEBHQYUNMHB-MRXNPFEDSA-N 2 1 322.412 3.189 20 0 DGADMP Nc1[nH]c2cc(O[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001230509097 1097500461 /nfs/dbraw/zinc/50/04/61/1097500461.db2.gz ZXLGEBHQYUNMHB-MRXNPFEDSA-N 2 1 322.412 3.189 20 0 DGADMP C[NH+]1CCN(c2ccccc2Nc2cc[nH+]c3ccccc23)CC1 ZINC001174038213 1097595549 /nfs/dbraw/zinc/59/55/49/1097595549.db2.gz JMANSOAOCOFYHS-UHFFFAOYSA-N 2 1 318.424 3.152 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCOc3ccccc3F)C2)C1 ZINC001277499763 1097701893 /nfs/dbraw/zinc/70/18/93/1097701893.db2.gz VUTGMIVKNSOXKU-LJQANCHMSA-N 2 1 320.452 3.402 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCCOc3ccccc3F)C2)C1 ZINC001277499763 1097701895 /nfs/dbraw/zinc/70/18/95/1097701895.db2.gz VUTGMIVKNSOXKU-LJQANCHMSA-N 2 1 320.452 3.402 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCOc3ccccc3F)C2)C1 ZINC001277499763 1097701897 /nfs/dbraw/zinc/70/18/97/1097701897.db2.gz VUTGMIVKNSOXKU-LJQANCHMSA-N 2 1 320.452 3.402 20 0 DGADMP c1cc2cc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)ncc2[nH]1 ZINC001231665481 1097810723 /nfs/dbraw/zinc/81/07/23/1097810723.db2.gz LZCYYNWQMGNVCO-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP Cc1cn2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc2[nH+]1 ZINC001174814560 1097844042 /nfs/dbraw/zinc/84/40/42/1097844042.db2.gz FLDJFSUORHIESL-UHFFFAOYSA-N 2 1 321.428 3.138 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808267 1097850491 /nfs/dbraw/zinc/85/04/91/1097850491.db2.gz WIGUBTFLLBEJSP-SJORKVTESA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808267 1097850500 /nfs/dbraw/zinc/85/05/00/1097850500.db2.gz WIGUBTFLLBEJSP-SJORKVTESA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808267 1097850508 /nfs/dbraw/zinc/85/05/08/1097850508.db2.gz WIGUBTFLLBEJSP-SJORKVTESA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015116 1097917687 /nfs/dbraw/zinc/91/76/87/1097917687.db2.gz ARPYJIYQDTXQDX-OAHLLOKOSA-N 2 1 315.417 3.259 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3ncccc3[nH]2)CC1 ZINC001232070370 1097930521 /nfs/dbraw/zinc/93/05/21/1097930521.db2.gz RZGGSSUZXOVCCN-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001232144249 1097949453 /nfs/dbraw/zinc/94/94/53/1097949453.db2.gz KZDNFVSAAHMVJQ-HNNXBMFYSA-N 2 1 318.358 3.457 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC001232145842 1097950078 /nfs/dbraw/zinc/95/00/78/1097950078.db2.gz BUCCMUYPRPTHCH-GOSISDBHSA-N 2 1 313.420 3.272 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2nc(Cl)ccc2F)CC1 ZINC001232158650 1097953120 /nfs/dbraw/zinc/95/31/20/1097953120.db2.gz MBGZMHVRDCOVDN-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nc(Cl)ccc2F)CC1 ZINC001232158650 1097953128 /nfs/dbraw/zinc/95/31/28/1097953128.db2.gz MBGZMHVRDCOVDN-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccnc3c(F)cccc23)CC1 ZINC001232208728 1097965748 /nfs/dbraw/zinc/96/57/48/1097965748.db2.gz FODDZECNMZAZQZ-UHFFFAOYSA-N 2 1 301.409 3.290 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccnc3c(F)cccc23)CC1 ZINC001232208728 1097965752 /nfs/dbraw/zinc/96/57/52/1097965752.db2.gz FODDZECNMZAZQZ-UHFFFAOYSA-N 2 1 301.409 3.290 20 0 DGADMP Cc1cc[nH+]c(N2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)c1 ZINC001277680174 1098074109 /nfs/dbraw/zinc/07/41/09/1098074109.db2.gz KLUVYLOVUHAJSM-UHFFFAOYSA-N 2 1 313.367 3.245 20 0 DGADMP Cc1cc[nH+]c(N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)c1 ZINC001277680174 1098074114 /nfs/dbraw/zinc/07/41/14/1098074114.db2.gz KLUVYLOVUHAJSM-UHFFFAOYSA-N 2 1 313.367 3.245 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4cc(Cl)ncc34)C2)CC1 ZINC001232823892 1098145715 /nfs/dbraw/zinc/14/57/15/1098145715.db2.gz KRZFGUSHGLYBIH-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1C ZINC001175775246 1098167932 /nfs/dbraw/zinc/16/79/32/1098167932.db2.gz PUDDFUWXGMNJAX-MRXNPFEDSA-N 2 1 311.429 3.109 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(C)cc2C)CC1 ZINC001233005664 1098200893 /nfs/dbraw/zinc/20/08/93/1098200893.db2.gz JUIQCFRJIWHOQC-UHFFFAOYSA-N 2 1 310.445 3.141 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001175927436 1098209335 /nfs/dbraw/zinc/20/93/35/1098209335.db2.gz YGHCHXDXQQMIKT-SFHVURJKSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001175927436 1098209339 /nfs/dbraw/zinc/20/93/39/1098209339.db2.gz YGHCHXDXQQMIKT-SFHVURJKSA-N 2 1 306.425 3.155 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001204168578 1098256241 /nfs/dbraw/zinc/25/62/41/1098256241.db2.gz SUVBRNZXEPOSIB-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001204168578 1098256248 /nfs/dbraw/zinc/25/62/48/1098256248.db2.gz SUVBRNZXEPOSIB-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001204168578 1098256252 /nfs/dbraw/zinc/25/62/52/1098256252.db2.gz SUVBRNZXEPOSIB-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001204168578 1098256257 /nfs/dbraw/zinc/25/62/57/1098256257.db2.gz SUVBRNZXEPOSIB-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP c1cn2c(cccc2C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001233362578 1098301938 /nfs/dbraw/zinc/30/19/38/1098301938.db2.gz HXTAPBGJAVAFAP-QGZVFWFLSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2c(cccc2C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001233362578 1098301942 /nfs/dbraw/zinc/30/19/42/1098301942.db2.gz HXTAPBGJAVAFAP-QGZVFWFLSA-N 2 1 312.461 3.175 20 0 DGADMP C[NH+](C)CCCO[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001206288589 1098455764 /nfs/dbraw/zinc/45/57/64/1098455764.db2.gz YZLYJXCVUYJZDZ-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCC[NH+](CC)CC)[C@@H]1C ZINC001176915338 1098455975 /nfs/dbraw/zinc/45/59/75/1098455975.db2.gz JDSAPQUAXMBJHO-QBPKDAKJSA-N 2 1 312.498 3.016 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001177093957 1098476589 /nfs/dbraw/zinc/47/65/89/1098476589.db2.gz YLIVKULJTYDQJQ-UHFFFAOYSA-N 2 1 318.383 3.305 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001177245511 1098501484 /nfs/dbraw/zinc/50/14/84/1098501484.db2.gz UIQICVJVMMBNIJ-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC001177294973 1098505332 /nfs/dbraw/zinc/50/53/32/1098505332.db2.gz UYNKGHOJVZIJDM-KBPBESRZSA-N 2 1 309.885 3.380 20 0 DGADMP CCC(=O)C[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277851992 1098545920 /nfs/dbraw/zinc/54/59/20/1098545920.db2.gz NZBYGOVYZVFPIZ-UHFFFAOYSA-N 2 1 320.399 3.096 20 0 DGADMP C[N@H+]1CCc2c(cccc2O[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001234420168 1098551676 /nfs/dbraw/zinc/55/16/76/1098551676.db2.gz MGBHFNIVMXALFM-LJQANCHMSA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2c(cccc2O[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001234420168 1098551683 /nfs/dbraw/zinc/55/16/83/1098551683.db2.gz MGBHFNIVMXALFM-LJQANCHMSA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2c(cccc2O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234420168 1098551687 /nfs/dbraw/zinc/55/16/87/1098551687.db2.gz MGBHFNIVMXALFM-LJQANCHMSA-N 2 1 322.452 3.328 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)OC ZINC001277864667 1098596381 /nfs/dbraw/zinc/59/63/81/1098596381.db2.gz KPYPRSQKNBYDNK-OOKSDGMUSA-N 2 1 324.509 3.351 20 0 DGADMP Cc1cccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC001234971009 1098730073 /nfs/dbraw/zinc/73/00/73/1098730073.db2.gz MYWHBNJPYPHNCQ-NHCUHLMSSA-N 2 1 322.452 3.082 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC001234971009 1098730084 /nfs/dbraw/zinc/73/00/84/1098730084.db2.gz MYWHBNJPYPHNCQ-NHCUHLMSSA-N 2 1 322.452 3.082 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234995216 1098738055 /nfs/dbraw/zinc/73/80/55/1098738055.db2.gz YZOQDNKJFPRJIA-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2n1 ZINC001234997748 1098740709 /nfs/dbraw/zinc/74/07/09/1098740709.db2.gz GBVXBXCGLVQPQN-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP CCCCc1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022591 1098754785 /nfs/dbraw/zinc/75/47/85/1098754785.db2.gz OXPNLMJFHPHXOC-FQEVSTJZSA-N 2 1 316.489 3.231 20 0 DGADMP CCCCc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022591 1098754795 /nfs/dbraw/zinc/75/47/95/1098754795.db2.gz OXPNLMJFHPHXOC-FQEVSTJZSA-N 2 1 316.489 3.231 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025128 1098758311 /nfs/dbraw/zinc/75/83/11/1098758311.db2.gz WGTZEOZVSBLAAV-MRXNPFEDSA-N 2 1 300.490 3.458 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235030664 1098759195 /nfs/dbraw/zinc/75/91/95/1098759195.db2.gz BMWUXRKDWFBBOS-AWEZNQCLSA-N 2 1 316.392 3.484 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235030664 1098759206 /nfs/dbraw/zinc/75/92/06/1098759206.db2.gz BMWUXRKDWFBBOS-AWEZNQCLSA-N 2 1 316.392 3.484 20 0 DGADMP Brc1ccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235031670 1098759854 /nfs/dbraw/zinc/75/98/54/1098759854.db2.gz NNLUDFVHWHWXRS-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP Brc1ccccc1CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032548 1098760952 /nfs/dbraw/zinc/76/09/52/1098760952.db2.gz QXWVMLIVCUNMEV-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP Brc1ccccc1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032548 1098760964 /nfs/dbraw/zinc/76/09/64/1098760964.db2.gz QXWVMLIVCUNMEV-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235038400 1098765939 /nfs/dbraw/zinc/76/59/39/1098765939.db2.gz IZNJFJIJMYCTBU-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235038400 1098765945 /nfs/dbraw/zinc/76/59/45/1098765945.db2.gz IZNJFJIJMYCTBU-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235039744 1098767689 /nfs/dbraw/zinc/76/76/89/1098767689.db2.gz HZRJMACHFHIBHS-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(C)c1C ZINC001235040670 1098768433 /nfs/dbraw/zinc/76/84/33/1098768433.db2.gz MRKITAZXIXLNGZ-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235041187 1098769227 /nfs/dbraw/zinc/76/92/27/1098769227.db2.gz XUTUIKLFCLXGNN-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235041187 1098769236 /nfs/dbraw/zinc/76/92/36/1098769236.db2.gz XUTUIKLFCLXGNN-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235089552 1098793300 /nfs/dbraw/zinc/79/33/00/1098793300.db2.gz PGHTVXNXADZWEN-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235089552 1098793308 /nfs/dbraw/zinc/79/33/08/1098793308.db2.gz PGHTVXNXADZWEN-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP Fc1cc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC001235091482 1098793371 /nfs/dbraw/zinc/79/33/71/1098793371.db2.gz DAUZLDVEELNCHN-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC001235091482 1098793379 /nfs/dbraw/zinc/79/33/79/1098793379.db2.gz DAUZLDVEELNCHN-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2c1 ZINC001235093048 1098794867 /nfs/dbraw/zinc/79/48/67/1098794867.db2.gz OBQGVVIWDNYIBH-UHFFFAOYSA-N 2 1 323.484 3.481 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001235092968 1098796334 /nfs/dbraw/zinc/79/63/34/1098796334.db2.gz MZQFYFCOSWSIFQ-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001235110657 1098811307 /nfs/dbraw/zinc/81/13/07/1098811307.db2.gz LFYKEZPBYWMLCQ-AZUAARDMSA-N 2 1 320.521 3.482 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CNCCO3)C2)c2ccccc12 ZINC001235114525 1098816854 /nfs/dbraw/zinc/81/68/54/1098816854.db2.gz MFOWEXSHAPYORM-HXUWFJFHSA-N 2 1 310.441 3.103 20 0 DGADMP CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)s1 ZINC001235151698 1098837700 /nfs/dbraw/zinc/83/77/00/1098837700.db2.gz AIANKWFRGYTDQF-INIZCTEOSA-N 2 1 307.507 3.168 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)cc2)c1 ZINC001235152259 1098837793 /nfs/dbraw/zinc/83/77/93/1098837793.db2.gz GFIGIERZYLSEIH-FQEVSTJZSA-N 2 1 324.472 3.226 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2)n[nH]1 ZINC001235154053 1098840110 /nfs/dbraw/zinc/84/01/10/1098840110.db2.gz HLIQLHNFBYSYOR-FQEVSTJZSA-N 2 1 324.472 3.431 20 0 DGADMP COc1c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc(F)c1F ZINC001235154090 1098840500 /nfs/dbraw/zinc/84/05/00/1098840500.db2.gz IDILQIKJDQJBCX-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156459 1098841806 /nfs/dbraw/zinc/84/18/06/1098841806.db2.gz QAKUYDVQBWMLSG-LJQANCHMSA-N 2 1 301.478 3.107 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156461 1098842313 /nfs/dbraw/zinc/84/23/13/1098842313.db2.gz QBDBOMHIUKPWFW-IBGZPJMESA-N 2 1 324.472 3.431 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156461 1098842322 /nfs/dbraw/zinc/84/23/22/1098842322.db2.gz QBDBOMHIUKPWFW-IBGZPJMESA-N 2 1 324.472 3.431 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156461 1098842335 /nfs/dbraw/zinc/84/23/35/1098842335.db2.gz QBDBOMHIUKPWFW-IBGZPJMESA-N 2 1 324.472 3.431 20 0 DGADMP Oc1cc(F)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235161737 1098846191 /nfs/dbraw/zinc/84/61/91/1098846191.db2.gz UTPORXZFFKOKRO-INIZCTEOSA-N 2 1 310.388 3.025 20 0 DGADMP Oc1cc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235161737 1098846207 /nfs/dbraw/zinc/84/62/07/1098846207.db2.gz UTPORXZFFKOKRO-INIZCTEOSA-N 2 1 310.388 3.025 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)n(-c2ccccc2)n1 ZINC001235160536 1098846232 /nfs/dbraw/zinc/84/62/32/1098846232.db2.gz XTVSZBLGJPLMBV-HXUWFJFHSA-N 2 1 324.472 3.226 20 0 DGADMP Fc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(F)c1F ZINC001235160769 1098846636 /nfs/dbraw/zinc/84/66/36/1098846636.db2.gz ZEFFNXRBUBMINN-INIZCTEOSA-N 2 1 312.379 3.458 20 0 DGADMP Fc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(F)c1F ZINC001235160772 1098847268 /nfs/dbraw/zinc/84/72/68/1098847268.db2.gz ZEFFNXRBUBMINN-MRXNPFEDSA-N 2 1 312.379 3.458 20 0 DGADMP COc1cccc(CCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235172282 1098853462 /nfs/dbraw/zinc/85/34/62/1098853462.db2.gz LCSBHVBUURIDRY-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1cccc(CCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235172282 1098853467 /nfs/dbraw/zinc/85/34/67/1098853467.db2.gz LCSBHVBUURIDRY-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235198253 1098872465 /nfs/dbraw/zinc/87/24/65/1098872465.db2.gz ORCRQOBXHBSVPL-IAGOWNOFSA-N 2 1 302.462 3.132 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235197110 1098873025 /nfs/dbraw/zinc/87/30/25/1098873025.db2.gz APWFCPOIJCEFPA-RTBURBONSA-N 2 1 308.425 3.101 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2F)CC1 ZINC001206335298 1098877407 /nfs/dbraw/zinc/87/74/07/1098877407.db2.gz DQOPFVYCOKTGFS-CQSZACIVSA-N 2 1 319.346 3.190 20 0 DGADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC001235210043 1098881984 /nfs/dbraw/zinc/88/19/84/1098881984.db2.gz JIOIJROBTMTSMQ-PMOLBWCYSA-N 2 1 307.441 3.152 20 0 DGADMP Fc1c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccnc1Cl ZINC001235228272 1098901377 /nfs/dbraw/zinc/90/13/77/1098901377.db2.gz LAXSPXQXHOJMQB-AWEZNQCLSA-N 2 1 311.832 3.228 20 0 DGADMP C(C[NH2+]C1CCCCC1)CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235231272 1098904357 /nfs/dbraw/zinc/90/43/57/1098904357.db2.gz DUNRFIRDPUUAAK-LJQANCHMSA-N 2 1 307.526 3.153 20 0 DGADMP Fc1cc(F)c(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235229972 1098904444 /nfs/dbraw/zinc/90/44/44/1098904444.db2.gz MUUHBDGYIAHSGL-INIZCTEOSA-N 2 1 312.379 3.458 20 0 DGADMP COc1ncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1Cl ZINC001235236200 1098909856 /nfs/dbraw/zinc/90/98/56/1098909856.db2.gz CRVQGVCSPAPVGU-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235240026 1098912985 /nfs/dbraw/zinc/91/29/85/1098912985.db2.gz JBRFUTLRWOZWER-HZPDHXFCSA-N 2 1 312.379 3.451 20 0 DGADMP COc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(Cl)cn1 ZINC001235240091 1098913569 /nfs/dbraw/zinc/91/35/69/1098913569.db2.gz VQMAHJBAMKXNBV-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP COc1cc(F)c(F)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243915 1098915973 /nfs/dbraw/zinc/91/59/73/1098915973.db2.gz ZRGDKXZFKDSNMI-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235262333 1098932488 /nfs/dbraw/zinc/93/24/88/1098932488.db2.gz LABIIXUHBSHQFC-AZUAARDMSA-N 2 1 308.425 3.243 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235264985 1098937330 /nfs/dbraw/zinc/93/73/30/1098937330.db2.gz SCEIZOOMCDTFEV-TZIWHRDSSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235264985 1098937338 /nfs/dbraw/zinc/93/73/38/1098937338.db2.gz SCEIZOOMCDTFEV-TZIWHRDSSA-N 2 1 322.452 3.449 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3F)C[C@@H]12 ZINC001235284612 1098942792 /nfs/dbraw/zinc/94/27/92/1098942792.db2.gz OJYQYSZRJCORQY-ALXJQNPVSA-N 2 1 300.352 3.021 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccccc3-c3ccc(F)cc3F)C[C@@H]12 ZINC001235284612 1098942799 /nfs/dbraw/zinc/94/27/99/1098942799.db2.gz OJYQYSZRJCORQY-ALXJQNPVSA-N 2 1 300.352 3.021 20 0 DGADMP CCOc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001277935402 1098945395 /nfs/dbraw/zinc/94/53/95/1098945395.db2.gz XOKDADXPCUNSSE-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1ccc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001277935402 1098945403 /nfs/dbraw/zinc/94/54/03/1098945403.db2.gz XOKDADXPCUNSSE-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1ccc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001277935402 1098945413 /nfs/dbraw/zinc/94/54/13/1098945413.db2.gz XOKDADXPCUNSSE-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(Cl)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235338681 1098962366 /nfs/dbraw/zinc/96/23/66/1098962366.db2.gz BWCNCFRKNPUCDR-JTQLQIEISA-N 2 1 315.244 3.043 20 0 DGADMP Fc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342522 1098966138 /nfs/dbraw/zinc/96/61/38/1098966138.db2.gz WOTPRACYXXLTBV-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP Fc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342522 1098966145 /nfs/dbraw/zinc/96/61/45/1098966145.db2.gz WOTPRACYXXLTBV-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235342533 1098966444 /nfs/dbraw/zinc/96/64/44/1098966444.db2.gz XCQNCZVARIVZQI-LJQANCHMSA-N 2 1 322.452 3.307 20 0 DGADMP CS[C@H](C)CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368378 1098984045 /nfs/dbraw/zinc/98/40/45/1098984045.db2.gz WBYFUNFEPHAWHD-BHIYHBOVSA-N 2 1 318.530 3.381 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235377890 1098988131 /nfs/dbraw/zinc/98/81/31/1098988131.db2.gz FXRATLABACRQME-RTWAWAEBSA-N 2 1 324.443 3.447 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400869 1098996438 /nfs/dbraw/zinc/99/64/38/1098996438.db2.gz LXMKMQIAZVHZLW-MOPGFXCFSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400869 1098996449 /nfs/dbraw/zinc/99/64/49/1098996449.db2.gz LXMKMQIAZVHZLW-MOPGFXCFSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc(C)n1 ZINC001179015539 1098998492 /nfs/dbraw/zinc/99/84/92/1098998492.db2.gz DWJLXBQGQJWXEQ-UXHICEINSA-N 2 1 309.457 3.133 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235411069 1099005845 /nfs/dbraw/zinc/00/58/45/1099005845.db2.gz ZYEAAQWKQSNJOH-MOPGFXCFSA-N 2 1 320.452 3.245 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235411069 1099005856 /nfs/dbraw/zinc/00/58/56/1099005856.db2.gz ZYEAAQWKQSNJOH-MOPGFXCFSA-N 2 1 320.452 3.245 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1csc3ccccc13)C2 ZINC001235409738 1099008021 /nfs/dbraw/zinc/00/80/21/1099008021.db2.gz WQMPFBZTMXFEEZ-SJORKVTESA-N 2 1 304.434 3.425 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c2occc21 ZINC001235410707 1099008336 /nfs/dbraw/zinc/00/83/36/1099008336.db2.gz YFRMXMLCSQEECU-RDJZCZTQSA-N 2 1 306.356 3.095 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c2occc21 ZINC001235410707 1099008350 /nfs/dbraw/zinc/00/83/50/1099008350.db2.gz YFRMXMLCSQEECU-RDJZCZTQSA-N 2 1 306.356 3.095 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)n[nH]1 ZINC001235420791 1099013113 /nfs/dbraw/zinc/01/31/13/1099013113.db2.gz BDDCWTPTQAPSFR-RBUKOAKNSA-N 2 1 324.472 3.288 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001179095273 1099016489 /nfs/dbraw/zinc/01/64/89/1099016489.db2.gz HYGGWPKOZLHRHE-SFHVURJKSA-N 2 1 306.494 3.141 20 0 DGADMP Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235424370 1099017230 /nfs/dbraw/zinc/01/72/30/1099017230.db2.gz HHGYDKOACGIYTR-UONOGXRCSA-N 2 1 308.853 3.257 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425127 1099017699 /nfs/dbraw/zinc/01/76/99/1099017699.db2.gz IIZXCCFTJHEFDB-AEFFLSMTSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427392 1099019259 /nfs/dbraw/zinc/01/92/59/1099019259.db2.gz RLQRZZMIUCTGRO-SJORKVTESA-N 2 1 302.462 3.215 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235425581 1099020139 /nfs/dbraw/zinc/02/01/39/1099020139.db2.gz MACGIMPADRDBEY-CABCVRRESA-N 2 1 308.416 3.485 20 0 DGADMP Cc1c(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430004 1099024565 /nfs/dbraw/zinc/02/45/65/1099024565.db2.gz VOQVKZMUTRHQKC-HZPDHXFCSA-N 2 1 308.416 3.485 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235429779 1099025441 /nfs/dbraw/zinc/02/54/41/1099025441.db2.gz RJSINGHVWFFGLQ-STQMWFEESA-N 2 1 312.379 3.316 20 0 DGADMP Cc1c(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430005 1099026325 /nfs/dbraw/zinc/02/63/25/1099026325.db2.gz VOQVKZMUTRHQKC-JKSUJKDBSA-N 2 1 308.416 3.485 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235430344 1099026819 /nfs/dbraw/zinc/02/68/19/1099026819.db2.gz WUEDHXXNJVHXEW-IRXDYDNUSA-N 2 1 320.452 3.436 20 0 DGADMP COc1ccc2sc(C[N@@H+](C)CC3CC[NH2+]CC3)cc2c1 ZINC001235432054 1099028406 /nfs/dbraw/zinc/02/84/06/1099028406.db2.gz GVLDPJKECJKGPL-UHFFFAOYSA-N 2 1 304.459 3.341 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432205 1099029195 /nfs/dbraw/zinc/02/91/95/1099029195.db2.gz QSCFVGMKGXXFGH-CVEARBPZSA-N 2 1 320.452 3.354 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432209 1099029557 /nfs/dbraw/zinc/02/95/57/1099029557.db2.gz QSCFVGMKGXXFGH-JKSUJKDBSA-N 2 1 320.452 3.354 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1C(F)(F)F ZINC001235433503 1099031560 /nfs/dbraw/zinc/03/15/60/1099031560.db2.gz KBDTVNBPWJIYPA-UHFFFAOYSA-N 2 1 316.367 3.145 20 0 DGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1F)CC1CC[NH2+]CC1 ZINC001235433995 1099031621 /nfs/dbraw/zinc/03/16/21/1099031621.db2.gz VWCCVBTZTXDVNR-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C1CC[NH2+]CC1 ZINC001235464337 1099050683 /nfs/dbraw/zinc/05/06/83/1099050683.db2.gz DFSSURQQRMLHTF-UHFFFAOYSA-N 2 1 320.330 3.107 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1Cl ZINC001235662862 1099112728 /nfs/dbraw/zinc/11/27/28/1099112728.db2.gz BAIAQDKIKQAJDB-YPMHNXCESA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccccc1Cl ZINC001235662862 1099112733 /nfs/dbraw/zinc/11/27/33/1099112733.db2.gz BAIAQDKIKQAJDB-YPMHNXCESA-N 2 1 302.796 3.263 20 0 DGADMP Cc1ccccc1C[N@H+](C)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235664046 1099112798 /nfs/dbraw/zinc/11/27/98/1099112798.db2.gz XUMZXOFLBRHRJH-UHFFFAOYSA-N 2 1 309.457 3.037 20 0 DGADMP COc1cc(C[N@H+](C)CCC[NH2+]C2CCCCC2)cc(OC)c1 ZINC001235667502 1099112887 /nfs/dbraw/zinc/11/28/87/1099112887.db2.gz ZQLXNUWNVCMRCE-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP COc1cc(C[N@@H+](C)CCC[NH2+]C2CCCCC2)cc(OC)c1 ZINC001235667502 1099112891 /nfs/dbraw/zinc/11/28/91/1099112891.db2.gz ZQLXNUWNVCMRCE-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP c1c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)sc2c1CC[NH2+]C2 ZINC001235673236 1099116734 /nfs/dbraw/zinc/11/67/34/1099116734.db2.gz DEWVPMCSSJBYFA-MRXNPFEDSA-N 2 1 314.454 3.047 20 0 DGADMP c1ccc(O[C@@H]2CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)cc1 ZINC001235675360 1099118928 /nfs/dbraw/zinc/11/89/28/1099118928.db2.gz VXZULNXJJBVIHZ-LJQANCHMSA-N 2 1 302.462 3.452 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)cc1 ZINC001235675360 1099118934 /nfs/dbraw/zinc/11/89/34/1099118934.db2.gz VXZULNXJJBVIHZ-LJQANCHMSA-N 2 1 302.462 3.452 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1NCC2 ZINC001235677208 1099119879 /nfs/dbraw/zinc/11/98/79/1099119879.db2.gz FRLCFMHZMPSANW-IBGZPJMESA-N 2 1 313.489 3.495 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001235679392 1099121920 /nfs/dbraw/zinc/12/19/20/1099121920.db2.gz UGTXDXBXWQWMOC-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689332 1099128780 /nfs/dbraw/zinc/12/87/80/1099128780.db2.gz DGNNREZLPVCWQE-YHXWVGAOSA-N 2 1 312.448 3.378 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689332 1099128785 /nfs/dbraw/zinc/12/87/85/1099128785.db2.gz DGNNREZLPVCWQE-YHXWVGAOSA-N 2 1 312.448 3.378 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)cc1 ZINC001235687992 1099129102 /nfs/dbraw/zinc/12/91/02/1099129102.db2.gz LJJAMZYYQPCRQM-SFHVURJKSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235691560 1099130672 /nfs/dbraw/zinc/13/06/72/1099130672.db2.gz KMMCWCRXENWZBA-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235691704 1099131020 /nfs/dbraw/zinc/13/10/20/1099131020.db2.gz MCTROZNVKHIBNA-NRFANRHFSA-N 2 1 322.452 3.376 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1F ZINC001235701592 1099136042 /nfs/dbraw/zinc/13/60/42/1099136042.db2.gz LDHKGAWFEVVZQM-UHFFFAOYSA-N 2 1 312.379 3.316 20 0 DGADMP Fc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc(F)c1F ZINC001235701912 1099136336 /nfs/dbraw/zinc/13/63/36/1099136336.db2.gz NPJNCAWWEAKEIC-UHFFFAOYSA-N 2 1 312.379 3.316 20 0 DGADMP C[NH2+]CCC[N@@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235710713 1099139511 /nfs/dbraw/zinc/13/95/11/1099139511.db2.gz RKPVQJUQTPPOCE-AWEZNQCLSA-N 2 1 317.260 3.194 20 0 DGADMP C[NH2+]CCC[N@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235710713 1099139516 /nfs/dbraw/zinc/13/95/16/1099139516.db2.gz RKPVQJUQTPPOCE-AWEZNQCLSA-N 2 1 317.260 3.194 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001235718787 1099146054 /nfs/dbraw/zinc/14/60/54/1099146054.db2.gz NQDWYOQIENNQPL-XNRPHZJLSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001235718787 1099146060 /nfs/dbraw/zinc/14/60/60/1099146060.db2.gz NQDWYOQIENNQPL-XNRPHZJLSA-N 2 1 312.379 3.453 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001235751036 1099164915 /nfs/dbraw/zinc/16/49/15/1099164915.db2.gz UWHLIYZDAXKXQP-CQSZACIVSA-N 2 1 300.377 3.399 20 0 DGADMP CC(C)c1cc(Br)ccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001235751089 1099165462 /nfs/dbraw/zinc/16/54/62/1099165462.db2.gz VLKZDUNNNUZQIN-GFCCVEGCSA-N 2 1 311.267 3.353 20 0 DGADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001235751089 1099165466 /nfs/dbraw/zinc/16/54/66/1099165466.db2.gz VLKZDUNNNUZQIN-GFCCVEGCSA-N 2 1 311.267 3.353 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC001235751450 1099165541 /nfs/dbraw/zinc/16/55/41/1099165541.db2.gz ZRJBUJQNDVPAMT-IBGZPJMESA-N 2 1 310.441 3.355 20 0 DGADMP CC[N@H+](Cc1ccc(OC2CCCCC2)nc1)C1CC[NH2+]CC1 ZINC001235762978 1099170643 /nfs/dbraw/zinc/17/06/43/1099170643.db2.gz YJZOXLBWZREROK-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP CC[N@@H+](Cc1ccc(OC2CCCCC2)nc1)C1CC[NH2+]CC1 ZINC001235762978 1099170648 /nfs/dbraw/zinc/17/06/48/1099170648.db2.gz YJZOXLBWZREROK-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730302 1099186528 /nfs/dbraw/zinc/18/65/28/1099186528.db2.gz VKKWAVIPRVANDS-RYRKJORJSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730302 1099186535 /nfs/dbraw/zinc/18/65/35/1099186535.db2.gz VKKWAVIPRVANDS-RYRKJORJSA-N 2 1 304.478 3.036 20 0 DGADMP Brc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC001235817733 1099194150 /nfs/dbraw/zinc/19/41/50/1099194150.db2.gz DVKLMDJPOYEDES-ZDUSSCGKSA-N 2 1 323.278 3.197 20 0 DGADMP Cc1ccc(CC[N@H+](C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001235839943 1099203384 /nfs/dbraw/zinc/20/33/84/1099203384.db2.gz DBSYTNPCIWQRHL-UHFFFAOYSA-N 2 1 300.471 3.377 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC001235840664 1099203499 /nfs/dbraw/zinc/20/34/99/1099203499.db2.gz SJCNUFLQQIEHIO-IUODEOHRSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001235840664 1099203504 /nfs/dbraw/zinc/20/35/04/1099203504.db2.gz SJCNUFLQQIEHIO-IUODEOHRSA-N 2 1 316.823 3.305 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001235842022 1099204962 /nfs/dbraw/zinc/20/49/62/1099204962.db2.gz LYZXVQUOFMVDOM-JTQLQIEISA-N 2 1 317.658 3.144 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001235842022 1099204965 /nfs/dbraw/zinc/20/49/65/1099204965.db2.gz LYZXVQUOFMVDOM-JTQLQIEISA-N 2 1 317.658 3.144 20 0 DGADMP Fc1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001235864932 1099225988 /nfs/dbraw/zinc/22/59/88/1099225988.db2.gz LAPGWOMTDKIKEX-YOEHRIQHSA-N 2 1 308.466 3.305 20 0 DGADMP CCOc1nccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1Cl ZINC001235889440 1099234382 /nfs/dbraw/zinc/23/43/82/1099234382.db2.gz WKIWTXOZUBZPJX-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP CCOc1ccc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC001235887126 1099234888 /nfs/dbraw/zinc/23/48/88/1099234888.db2.gz CXZGVGBVBLWAGU-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001235892435 1099237778 /nfs/dbraw/zinc/23/77/78/1099237778.db2.gz QSBLJBROSHVNTG-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001235892435 1099237784 /nfs/dbraw/zinc/23/77/84/1099237784.db2.gz QSBLJBROSHVNTG-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP Fc1ccc2c(c1)C[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001235905933 1099249291 /nfs/dbraw/zinc/24/92/91/1099249291.db2.gz LJEHJYSJLGZCQL-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP Fc1ccc2c(c1)C[N@H+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001235905933 1099249299 /nfs/dbraw/zinc/24/92/99/1099249299.db2.gz LJEHJYSJLGZCQL-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001235925346 1099260661 /nfs/dbraw/zinc/26/06/61/1099260661.db2.gz ITKKJWKFVVMSRI-INIZCTEOSA-N 2 1 303.450 3.106 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001235925346 1099260671 /nfs/dbraw/zinc/26/06/71/1099260671.db2.gz ITKKJWKFVVMSRI-INIZCTEOSA-N 2 1 303.450 3.106 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001235925059 1099261952 /nfs/dbraw/zinc/26/19/52/1099261952.db2.gz HQTRQADVQQVLBG-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001235925059 1099261957 /nfs/dbraw/zinc/26/19/57/1099261957.db2.gz HQTRQADVQQVLBG-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP COCCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235935190 1099271175 /nfs/dbraw/zinc/27/11/75/1099271175.db2.gz FRQSZDLXHDRBIO-KRWDZBQOSA-N 2 1 308.510 3.459 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1C(C)C ZINC001235938457 1099272256 /nfs/dbraw/zinc/27/22/56/1099272256.db2.gz KKZKASFPPAGGPI-NVXWUHKLSA-N 2 1 302.462 3.168 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc1-2 ZINC001235937942 1099272651 /nfs/dbraw/zinc/27/26/51/1099272651.db2.gz JWFFAHQNVTXXSJ-PKOBYXMFSA-N 2 1 304.437 3.299 20 0 DGADMP COCCC[N@@H+](Cc1c(C)cc(F)cc1C)C1CC[NH2+]CC1 ZINC001235940054 1099274787 /nfs/dbraw/zinc/27/47/87/1099274787.db2.gz OHOOMKLSPWFUBN-UHFFFAOYSA-N 2 1 308.441 3.033 20 0 DGADMP Oc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235943868 1099277553 /nfs/dbraw/zinc/27/75/53/1099277553.db2.gz ZMIYYIBZMBNRRW-RTBURBONSA-N 2 1 308.425 3.101 20 0 DGADMP c1ccc(CC[N@H+](Cc2ccccc2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001235947953 1099280004 /nfs/dbraw/zinc/28/00/04/1099280004.db2.gz ISDHJKPBZWRNCI-AERCQKQUSA-N 2 1 306.453 3.197 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949316 1099282561 /nfs/dbraw/zinc/28/25/61/1099282561.db2.gz DOGLVQRQUFWTFK-IVMMDQJWSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949316 1099282567 /nfs/dbraw/zinc/28/25/67/1099282567.db2.gz DOGLVQRQUFWTFK-IVMMDQJWSA-N 2 1 312.379 3.106 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235950466 1099282624 /nfs/dbraw/zinc/28/26/24/1099282624.db2.gz HJYQOFOOIAOZKT-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP C[N@@H+](CCc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235951353 1099285251 /nfs/dbraw/zinc/28/52/51/1099285251.db2.gz QXUPLLKZNVIJAE-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP C[N@@H+](CCc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC001235950904 1099285358 /nfs/dbraw/zinc/28/53/58/1099285358.db2.gz PEGCZJKWJXMPIZ-GFCCVEGCSA-N 2 1 301.261 3.467 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235957806 1099288472 /nfs/dbraw/zinc/28/84/72/1099288472.db2.gz UONKRFMAZAJTQR-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235957806 1099288483 /nfs/dbraw/zinc/28/84/83/1099288483.db2.gz UONKRFMAZAJTQR-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc2sc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001235958198 1099289433 /nfs/dbraw/zinc/28/94/33/1099289433.db2.gz YMTNHTSWVQHFPO-CYBMUJFWSA-N 2 1 304.459 3.341 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(-c3cccc(Cl)c3)no1)C2 ZINC001235960193 1099291389 /nfs/dbraw/zinc/29/13/89/1099291389.db2.gz RSMJKLXBWGPHFX-FVCICTRLSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(-c3cccc(Cl)c3)no1)C2 ZINC001235960193 1099291394 /nfs/dbraw/zinc/29/13/94/1099291394.db2.gz RSMJKLXBWGPHFX-FVCICTRLSA-N 2 1 317.820 3.164 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235959531 1099291742 /nfs/dbraw/zinc/29/17/42/1099291742.db2.gz XTAKMFRCLCLKQX-OAQYLSRUSA-N 2 1 322.452 3.471 20 0 DGADMP CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1cccc(OC)c1 ZINC001235963031 1099294393 /nfs/dbraw/zinc/29/43/93/1099294393.db2.gz RKWXULSIBQJHIT-UHFFFAOYSA-N 2 1 316.470 3.425 20 0 DGADMP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC001235961428 1099294516 /nfs/dbraw/zinc/29/45/16/1099294516.db2.gz AMATZBXRYZHOQH-UHFFFAOYSA-N 2 1 304.434 3.160 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC001235961428 1099294521 /nfs/dbraw/zinc/29/45/21/1099294521.db2.gz AMATZBXRYZHOQH-UHFFFAOYSA-N 2 1 304.434 3.160 20 0 DGADMP Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1Br ZINC001236010264 1099332838 /nfs/dbraw/zinc/33/28/38/1099332838.db2.gz UZUXBRSFKGVSGX-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP CCc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236009159 1099333046 /nfs/dbraw/zinc/33/30/46/1099333046.db2.gz JGLWUFSXPGFUOF-RTWAWAEBSA-N 2 1 306.453 3.222 20 0 DGADMP C(c1nc2c(s1)C[NH2+]CC2)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001236043308 1099344931 /nfs/dbraw/zinc/34/49/31/1099344931.db2.gz WKKWRGKRWZBRIE-OAHLLOKOSA-N 2 1 305.491 3.334 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044186 1099346143 /nfs/dbraw/zinc/34/61/43/1099346143.db2.gz KLJCSXIMZZNFJV-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044186 1099346152 /nfs/dbraw/zinc/34/61/52/1099346152.db2.gz KLJCSXIMZZNFJV-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001236059737 1099358776 /nfs/dbraw/zinc/35/87/76/1099358776.db2.gz KLZMJNDEAVFHEJ-UHFFFAOYSA-N 2 1 320.436 3.093 20 0 DGADMP CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001236059737 1099358788 /nfs/dbraw/zinc/35/87/88/1099358788.db2.gz KLZMJNDEAVFHEJ-UHFFFAOYSA-N 2 1 320.436 3.093 20 0 DGADMP CC[C@@H]([NH3+])C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC001236094115 1099383690 /nfs/dbraw/zinc/38/36/90/1099383690.db2.gz OHKGBNGZASZEAF-OAHLLOKOSA-N 2 1 311.267 3.366 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1ccc(F)cc1F ZINC001236072306 1099369422 /nfs/dbraw/zinc/36/94/22/1099369422.db2.gz RFLZWDFHLRNEGT-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1ccc(F)cc1F ZINC001236072306 1099369436 /nfs/dbraw/zinc/36/94/36/1099369436.db2.gz RFLZWDFHLRNEGT-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC001236082199 1099376474 /nfs/dbraw/zinc/37/64/74/1099376474.db2.gz KLBPVWJINROJIM-FQEVSTJZSA-N 2 1 319.537 3.296 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236093708 1099383192 /nfs/dbraw/zinc/38/31/92/1099383192.db2.gz XYJKMVGSCQMHPO-MOPGFXCFSA-N 2 1 316.489 3.482 20 0 DGADMP C[N@@H+](CCC(=O)c1cccs1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236102014 1099390086 /nfs/dbraw/zinc/39/00/86/1099390086.db2.gz PRRXUJDDFYZVAM-UHFFFAOYSA-N 2 1 314.454 3.099 20 0 DGADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC001236103730 1099392720 /nfs/dbraw/zinc/39/27/20/1099392720.db2.gz COEHZOUYNNMELR-LPTQZCDUSA-N 2 1 304.437 3.472 20 0 DGADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC001236103730 1099392730 /nfs/dbraw/zinc/39/27/30/1099392730.db2.gz COEHZOUYNNMELR-LPTQZCDUSA-N 2 1 304.437 3.472 20 0 DGADMP COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)CC2C[NH2+]C2)cc1 ZINC001236106361 1099395003 /nfs/dbraw/zinc/39/50/03/1099395003.db2.gz DEYPXRNAFFKSDD-KRWDZBQOSA-N 2 1 324.468 3.348 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC=C(C)C ZINC001180372863 1099400301 /nfs/dbraw/zinc/40/03/01/1099400301.db2.gz JNZORFDXWLDUNW-SFHVURJKSA-N 2 1 323.525 3.093 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236113371 1099401955 /nfs/dbraw/zinc/40/19/55/1099401955.db2.gz SWUSQICYUANMGY-INIZCTEOSA-N 2 1 324.468 3.404 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1cc(Cl)ccc1OC(F)(F)F ZINC001236142384 1099427791 /nfs/dbraw/zinc/42/77/91/1099427791.db2.gz WUWZCHDCFJCDFF-UHFFFAOYSA-N 2 1 310.747 3.409 20 0 DGADMP Clc1ccc([C@@]23C[C@@H]2C[N@H+](C[C@@H]2CC[NH2+]C2)C3)cc1Cl ZINC001236155878 1099436025 /nfs/dbraw/zinc/43/60/25/1099436025.db2.gz RLPMQWAZCRTTFK-KFNAQCHYSA-N 2 1 311.256 3.176 20 0 DGADMP Clc1ccc([C@@]23C[C@@H]2C[N@@H+](C[C@@H]2CC[NH2+]C2)C3)cc1Cl ZINC001236155878 1099436031 /nfs/dbraw/zinc/43/60/31/1099436031.db2.gz RLPMQWAZCRTTFK-KFNAQCHYSA-N 2 1 311.256 3.176 20 0 DGADMP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@H+](C)CC1C[NH2+]C1 ZINC001236162214 1099438730 /nfs/dbraw/zinc/43/87/30/1099438730.db2.gz ZTTKBSUDNXZYQJ-UZLBHIALSA-N 2 1 310.441 3.346 20 0 DGADMP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)CC1C[NH2+]C1 ZINC001236162214 1099438739 /nfs/dbraw/zinc/43/87/39/1099438739.db2.gz ZTTKBSUDNXZYQJ-UZLBHIALSA-N 2 1 310.441 3.346 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001236160162 1099438903 /nfs/dbraw/zinc/43/89/03/1099438903.db2.gz DETRIDKDBABNJE-APHBMKBZSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001236160162 1099438911 /nfs/dbraw/zinc/43/89/11/1099438911.db2.gz DETRIDKDBABNJE-APHBMKBZSA-N 2 1 312.379 3.453 20 0 DGADMP CCC[N@@H+](CCc1cc(F)c(F)cc1F)C1CC[NH2+]CC1 ZINC001236180306 1099450679 /nfs/dbraw/zinc/45/06/79/1099450679.db2.gz GOFOMHDWUVZHNE-UHFFFAOYSA-N 2 1 300.368 3.110 20 0 DGADMP C[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccc2ccccc2c1 ZINC001236184439 1099453516 /nfs/dbraw/zinc/45/35/16/1099453516.db2.gz QOROOULAFNTBQH-UHFFFAOYSA-N 2 1 305.425 3.377 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001236215279 1099471330 /nfs/dbraw/zinc/47/13/30/1099471330.db2.gz MUPVCNAGWKXLDV-UHFFFAOYSA-N 2 1 316.367 3.373 20 0 DGADMP Fc1ccc(S[C@H]2CC[N@@H+](CC3(F)CC[NH2+]CC3)C2)cc1 ZINC001236222827 1099480204 /nfs/dbraw/zinc/48/02/04/1099480204.db2.gz LUCCKCRVXJOZFA-HNNXBMFYSA-N 2 1 312.429 3.084 20 0 DGADMP c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)CCS2 ZINC001236241318 1099494943 /nfs/dbraw/zinc/49/49/43/1099494943.db2.gz RTVDHIFIOWXORL-UHFFFAOYSA-N 2 1 310.466 3.440 20 0 DGADMP C[C@H](O)C[N@@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001180769302 1099505088 /nfs/dbraw/zinc/50/50/88/1099505088.db2.gz YHYXKMAREUUPHQ-PXNSSMCTSA-N 2 1 318.505 3.237 20 0 DGADMP CC[C@H]([NH3+])C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303955 1099523890 /nfs/dbraw/zinc/52/38/90/1099523890.db2.gz FQKHSBJIOSISFH-IBGZPJMESA-N 3 1 315.505 3.102 20 0 DGADMP CC[C@H]([NH3+])C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303955 1099523899 /nfs/dbraw/zinc/52/38/99/1099523899.db2.gz FQKHSBJIOSISFH-IBGZPJMESA-N 3 1 315.505 3.102 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)c1 ZINC001236304218 1099524703 /nfs/dbraw/zinc/52/47/03/1099524703.db2.gz JBLRIRMSOPLSRN-SFHVURJKSA-N 2 1 316.489 3.339 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001236305042 1099525187 /nfs/dbraw/zinc/52/51/87/1099525187.db2.gz RKNLFGKEFIJZRO-IEBWSBKVSA-N 2 1 316.489 3.339 20 0 DGADMP Clc1cccc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)nc12 ZINC001236314387 1099528146 /nfs/dbraw/zinc/52/81/46/1099528146.db2.gz COCULOWQYMOLGD-GASCZTMLSA-N 2 1 315.848 3.320 20 0 DGADMP OCCCCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001236313893 1099528418 /nfs/dbraw/zinc/52/84/18/1099528418.db2.gz DAONNEYZHQNXAB-LJQANCHMSA-N 2 1 318.505 3.431 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320778 1099533308 /nfs/dbraw/zinc/53/33/08/1099533308.db2.gz FPDWLXNAUSIWCK-CALCHBBNSA-N 2 1 302.462 3.214 20 0 DGADMP CC(C)Oc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc(F)c1F ZINC001236321183 1099533338 /nfs/dbraw/zinc/53/33/38/1099533338.db2.gz JJZNDPJKXQHKBA-OKILXGFUSA-N 2 1 324.415 3.183 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001236320613 1099534036 /nfs/dbraw/zinc/53/40/36/1099534036.db2.gz JVUFFHQSBMJTJI-HDICACEKSA-N 2 1 323.440 3.305 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321278 1099534277 /nfs/dbraw/zinc/53/42/77/1099534277.db2.gz HMBMJCLMAGCFJV-OKILXGFUSA-N 2 1 312.379 3.445 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322029 1099535405 /nfs/dbraw/zinc/53/54/05/1099535405.db2.gz SLWPSJCREIJEGB-GASCZTMLSA-N 2 1 306.425 3.044 20 0 DGADMP COc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373436 1099557219 /nfs/dbraw/zinc/55/72/19/1099557219.db2.gz HZIFNIGNHZNWJJ-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cc(O)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374439 1099562041 /nfs/dbraw/zinc/56/20/41/1099562041.db2.gz RICRJWKBDBIEPG-OAHLLOKOSA-N 2 1 318.461 3.145 20 0 DGADMP Brc1ccc(C[N@@H+](CC2CC2)C2CC[NH2+]CC2)cc1 ZINC001236377999 1099562737 /nfs/dbraw/zinc/56/27/37/1099562737.db2.gz QSFQOPVVFJUZSF-UHFFFAOYSA-N 2 1 323.278 3.413 20 0 DGADMP Cn1cccc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236384285 1099567974 /nfs/dbraw/zinc/56/79/74/1099567974.db2.gz ZPJGEVVZGSLZBN-UHFFFAOYSA-N 2 1 315.436 3.166 20 0 DGADMP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236408825 1099580569 /nfs/dbraw/zinc/58/05/69/1099580569.db2.gz OIQKGPHLJYJHJY-ZDUSSCGKSA-N 2 1 316.367 3.325 20 0 DGADMP CC[N@H+](Cc1cc(Br)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236407479 1099582154 /nfs/dbraw/zinc/58/21/54/1099582154.db2.gz GAZXUYOMDJFRGC-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+](Cc1cc(Br)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236407478 1099582323 /nfs/dbraw/zinc/58/23/23/1099582323.db2.gz GAZXUYOMDJFRGC-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236408297 1099582523 /nfs/dbraw/zinc/58/25/23/1099582523.db2.gz MVNODZDVLHWAJL-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP CC[N@@H+](CCc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236407532 1099582659 /nfs/dbraw/zinc/58/26/59/1099582659.db2.gz FVRBCOOYXUPGIU-LBPRGKRZSA-N 2 1 301.261 3.467 20 0 DGADMP CC[N@H+](Cc1cccc(Br)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236409614 1099584898 /nfs/dbraw/zinc/58/48/98/1099584898.db2.gz CQTMWQNIOCCAEQ-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236412482 1099585435 /nfs/dbraw/zinc/58/54/35/1099585435.db2.gz VUYFLKGXMACYPH-AERCQKQUSA-N 2 1 321.468 3.069 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236412482 1099585444 /nfs/dbraw/zinc/58/54/44/1099585444.db2.gz VUYFLKGXMACYPH-AERCQKQUSA-N 2 1 321.468 3.069 20 0 DGADMP COc1ccccc1Oc1cccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236411458 1099585650 /nfs/dbraw/zinc/58/56/50/1099585650.db2.gz MLQUWZFRJWBTES-YRWFTTLQSA-N 2 1 324.424 3.137 20 0 DGADMP COc1ccccc1Oc1cccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236411458 1099585662 /nfs/dbraw/zinc/58/56/62/1099585662.db2.gz MLQUWZFRJWBTES-YRWFTTLQSA-N 2 1 324.424 3.137 20 0 DGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414088 1099587111 /nfs/dbraw/zinc/58/71/11/1099587111.db2.gz JEYBVQLIZORHDH-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414088 1099587122 /nfs/dbraw/zinc/58/71/22/1099587122.db2.gz JEYBVQLIZORHDH-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001236424169 1099600380 /nfs/dbraw/zinc/60/03/80/1099600380.db2.gz SBCQPSWWQVENNZ-WMZOPIPTSA-N 2 1 302.462 3.360 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(-c2ccc(C[NH2+]CC(C)C)cc2)nn1 ZINC001236427816 1099602821 /nfs/dbraw/zinc/60/28/21/1099602821.db2.gz HLQACFBFSQPQAL-UHFFFAOYSA-N 2 1 321.428 3.383 20 0 DGADMP FC(F)(F)Oc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC001236434925 1099610943 /nfs/dbraw/zinc/61/09/43/1099610943.db2.gz YCHZSSKXTYUUHL-SWLSCSKDSA-N 2 1 314.351 3.332 20 0 DGADMP COC(=O)c1ccccc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456716 1099619955 /nfs/dbraw/zinc/61/99/55/1099619955.db2.gz FWXHNKVMTZQKRC-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP COC(=O)c1ccccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456716 1099619959 /nfs/dbraw/zinc/61/99/59/1099619959.db2.gz FWXHNKVMTZQKRC-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP COCc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236457737 1099620500 /nfs/dbraw/zinc/62/05/00/1099620500.db2.gz PXFLFHKJWMOHLH-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)(C)C[N@@H+](CCOCc1ccccc1)C1CC[NH2+]CC1 ZINC001236455647 1099620725 /nfs/dbraw/zinc/62/07/25/1099620725.db2.gz WNKYVFSCPWUSAR-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP CCOCC[N@@H+](Cc1ccc2cccccc1-2)C1CC[NH2+]CC1 ZINC001236462255 1099625275 /nfs/dbraw/zinc/62/52/75/1099625275.db2.gz VEFIMBPWZQMJBO-UHFFFAOYSA-N 2 1 312.457 3.382 20 0 DGADMP CCCCC[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236464446 1099626448 /nfs/dbraw/zinc/62/64/48/1099626448.db2.gz FLZZQUMXMBADND-UHFFFAOYSA-N 2 1 318.461 3.217 20 0 DGADMP Nc1nc(Cl)ccc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541746 1099672824 /nfs/dbraw/zinc/67/28/24/1099672824.db2.gz SNSMILBTAPRRJC-SHTZXODSSA-N 2 1 322.884 3.189 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550118 1099676076 /nfs/dbraw/zinc/67/60/76/1099676076.db2.gz GWKAXCMRTJJBKX-IYARVYRRSA-N 2 1 318.461 3.201 20 0 DGADMP Nc1ccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236567416 1099682293 /nfs/dbraw/zinc/68/22/93/1099682293.db2.gz LYBOZCAAEQYVHA-JCNLHEQBSA-N 2 1 302.466 3.068 20 0 DGADMP N[C@H](Cc1ccccc1)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567415 1099682566 /nfs/dbraw/zinc/68/25/66/1099682566.db2.gz VEFHQKNJAOUBSN-QWFCFKBJSA-N 2 1 315.505 3.071 20 0 DGADMP Fc1ccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236584867 1099689980 /nfs/dbraw/zinc/68/99/80/1099689980.db2.gz XUMSAANGPYLCRF-ZDUSSCGKSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)OCc1ccccc1 ZINC001236584453 1099690667 /nfs/dbraw/zinc/69/06/67/1099690667.db2.gz CRAOALDKCOSJOI-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599747 1099695982 /nfs/dbraw/zinc/69/59/82/1099695982.db2.gz CPMJYCZCMHXRNI-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599747 1099695986 /nfs/dbraw/zinc/69/59/86/1099695986.db2.gz CPMJYCZCMHXRNI-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601611 1099697592 /nfs/dbraw/zinc/69/75/92/1099697592.db2.gz NNWOHRUVNGZVAP-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601611 1099697594 /nfs/dbraw/zinc/69/75/94/1099697594.db2.gz NNWOHRUVNGZVAP-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP Fc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c2[nH]ccc21 ZINC001236605455 1099700830 /nfs/dbraw/zinc/70/08/30/1099700830.db2.gz NQUMVSUAHSRLBK-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP COc1cc(C)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(C)c1 ZINC001236638297 1099717907 /nfs/dbraw/zinc/71/79/07/1099717907.db2.gz YOCBHHZFUXLSAT-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C3CCC3)C3CC[NH2+]CC3)cc21 ZINC001236648383 1099719835 /nfs/dbraw/zinc/71/98/35/1099719835.db2.gz QZQDZMGUTKJZFR-UHFFFAOYSA-N 2 1 313.489 3.176 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc(F)c(O)c1 ZINC001236710239 1099752667 /nfs/dbraw/zinc/75/26/67/1099752667.db2.gz LZIYUKZAYMGCRL-HOTGVXAUSA-N 2 1 306.425 3.370 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236820403 1099805290 /nfs/dbraw/zinc/80/52/90/1099805290.db2.gz RVIRKXGOTIFMJI-MAZHCROVSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236820403 1099805297 /nfs/dbraw/zinc/80/52/97/1099805297.db2.gz RVIRKXGOTIFMJI-MAZHCROVSA-N 2 1 308.853 3.296 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236827789 1099812010 /nfs/dbraw/zinc/81/20/10/1099812010.db2.gz GRGCPVMSMXGKSS-ZYSHUDEJSA-N 2 1 302.462 3.260 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)cc1Br ZINC001236825759 1099812161 /nfs/dbraw/zinc/81/21/61/1099812161.db2.gz AIQRIMMFBIWPIR-BJJXKVORSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)cc1Br ZINC001236825759 1099812171 /nfs/dbraw/zinc/81/21/71/1099812171.db2.gz AIQRIMMFBIWPIR-BJJXKVORSA-N 2 1 323.278 3.235 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]12 ZINC001236826796 1099812494 /nfs/dbraw/zinc/81/24/94/1099812494.db2.gz CVSQEOFERRPGFD-TYCQWZJGSA-N 2 1 304.437 3.427 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C(C)C ZINC001236831982 1099817516 /nfs/dbraw/zinc/81/75/16/1099817516.db2.gz SLYLGJVUKLHUTB-QGTPRVQTSA-N 2 1 302.462 3.296 20 0 DGADMP CCC[N@H+](Cc1cc(Br)cs1)C[C@H]1CC[NH2+]C1 ZINC001236835334 1099821509 /nfs/dbraw/zinc/82/15/09/1099821509.db2.gz LMLMMAPMDOLTBP-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835309 1099821534 /nfs/dbraw/zinc/82/15/34/1099821534.db2.gz KWRNQAHUCMXJJM-HNNXBMFYSA-N 2 1 312.404 3.152 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842592 1099826028 /nfs/dbraw/zinc/82/60/28/1099826028.db2.gz FYBHKFVTPBYTEV-CYBMUJFWSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+](Cc1ccc(F)c(N2CCCC2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842938 1099826681 /nfs/dbraw/zinc/82/66/81/1099826681.db2.gz IACVGJNRZCZBHR-QGZVFWFLSA-N 2 1 319.468 3.247 20 0 DGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC)c2ccc(OC)cc12 ZINC001236883712 1099850328 /nfs/dbraw/zinc/85/03/28/1099850328.db2.gz KJFQBFLOVSGCLV-AWEZNQCLSA-N 2 1 302.418 3.026 20 0 DGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC)c2ccc(OC)cc12 ZINC001236883712 1099850336 /nfs/dbraw/zinc/85/03/36/1099850336.db2.gz KJFQBFLOVSGCLV-AWEZNQCLSA-N 2 1 302.418 3.026 20 0 DGADMP C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)CC1CCCC1 ZINC001236891665 1099852765 /nfs/dbraw/zinc/85/27/65/1099852765.db2.gz YUGVMBIGMRJJKV-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCCC[C@](C)(F)C3)c2)CC1 ZINC001236888002 1099853995 /nfs/dbraw/zinc/85/39/95/1099853995.db2.gz SNUNHXHLTRZNFW-IBGZPJMESA-N 2 1 319.468 3.153 20 0 DGADMP CCCC[N@@H+](CCC)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236898544 1099861053 /nfs/dbraw/zinc/86/10/53/1099861053.db2.gz MTWDKWMRNRLLAJ-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)O1 ZINC001236951050 1099889564 /nfs/dbraw/zinc/88/95/64/1099889564.db2.gz SWNAVISJQHFRQX-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)O1 ZINC001236951050 1099889568 /nfs/dbraw/zinc/88/95/68/1099889568.db2.gz SWNAVISJQHFRQX-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CCN(C)CC3)c2)CC1 ZINC001236960175 1099890406 /nfs/dbraw/zinc/89/04/06/1099890406.db2.gz ORYRTXXZTUVHOI-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236960175 1099890420 /nfs/dbraw/zinc/89/04/20/1099890420.db2.gz ORYRTXXZTUVHOI-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236960175 1099890436 /nfs/dbraw/zinc/89/04/36/1099890436.db2.gz ORYRTXXZTUVHOI-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(N2CCN(C)CC2)c1 ZINC001236965399 1099892821 /nfs/dbraw/zinc/89/28/21/1099892821.db2.gz YCOFAFCBRCDPTE-INIZCTEOSA-N 2 1 319.468 3.342 20 0 DGADMP C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965399 1099892830 /nfs/dbraw/zinc/89/28/30/1099892830.db2.gz YCOFAFCBRCDPTE-INIZCTEOSA-N 2 1 319.468 3.342 20 0 DGADMP C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965399 1099892835 /nfs/dbraw/zinc/89/28/35/1099892835.db2.gz YCOFAFCBRCDPTE-INIZCTEOSA-N 2 1 319.468 3.342 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC001236962983 1099893686 /nfs/dbraw/zinc/89/36/86/1099893686.db2.gz GZPXJAAMQMTACE-CVEARBPZSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC001236962983 1099893692 /nfs/dbraw/zinc/89/36/92/1099893692.db2.gz GZPXJAAMQMTACE-CVEARBPZSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(N2CCN(C)CC2)c1 ZINC001236965400 1099894154 /nfs/dbraw/zinc/89/41/54/1099894154.db2.gz YCOFAFCBRCDPTE-MRXNPFEDSA-N 2 1 319.468 3.342 20 0 DGADMP C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965400 1099894156 /nfs/dbraw/zinc/89/41/56/1099894156.db2.gz YCOFAFCBRCDPTE-MRXNPFEDSA-N 2 1 319.468 3.342 20 0 DGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965400 1099894161 /nfs/dbraw/zinc/89/41/61/1099894161.db2.gz YCOFAFCBRCDPTE-MRXNPFEDSA-N 2 1 319.468 3.342 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001237043773 1099941432 /nfs/dbraw/zinc/94/14/32/1099941432.db2.gz UEQCQBNEFKQWAL-MSOLQXFVSA-N 2 1 316.445 3.142 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001237057851 1099949906 /nfs/dbraw/zinc/94/99/06/1099949906.db2.gz NYNMFYLASWSSOY-CQSZACIVSA-N 2 1 302.340 3.146 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001237058700 1099950741 /nfs/dbraw/zinc/95/07/41/1099950741.db2.gz RHTSZURKRBFXKP-HNNXBMFYSA-N 2 1 300.368 3.309 20 0 DGADMP C[C@@]1(C[NH3+])CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001237059257 1099951072 /nfs/dbraw/zinc/95/10/72/1099951072.db2.gz SBGGLDQZXPWJOV-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203282811 1099959248 /nfs/dbraw/zinc/95/92/48/1099959248.db2.gz LKKUIBNJXGHVGR-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2ccnc3c(OC)cccc23)CC1 ZINC001237112866 1099977262 /nfs/dbraw/zinc/97/72/62/1099977262.db2.gz APRHCOHSSCNNKN-UHFFFAOYSA-N 2 1 313.445 3.160 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccnc3c(OC)cccc23)CC1 ZINC001237112866 1099977273 /nfs/dbraw/zinc/97/72/73/1099977273.db2.gz APRHCOHSSCNNKN-UHFFFAOYSA-N 2 1 313.445 3.160 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001237246596 1100048146 /nfs/dbraw/zinc/04/81/46/1100048146.db2.gz CHXQBNASYVBFHP-WOJBJXKFSA-N 2 1 312.432 3.403 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001237246596 1100048159 /nfs/dbraw/zinc/04/81/59/1100048159.db2.gz CHXQBNASYVBFHP-WOJBJXKFSA-N 2 1 312.432 3.403 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237388162 1100105051 /nfs/dbraw/zinc/10/50/51/1100105051.db2.gz CKMPLIBONQCGCP-PKOBYXMFSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237388162 1100105056 /nfs/dbraw/zinc/10/50/56/1100105056.db2.gz CKMPLIBONQCGCP-PKOBYXMFSA-N 2 1 302.462 3.295 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237393908 1100107474 /nfs/dbraw/zinc/10/74/74/1100107474.db2.gz UEXPEFLAIDPRPO-HKUYNNGSSA-N 2 1 313.489 3.251 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237393908 1100107476 /nfs/dbraw/zinc/10/74/76/1100107476.db2.gz UEXPEFLAIDPRPO-HKUYNNGSSA-N 2 1 313.489 3.251 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237401640 1100110250 /nfs/dbraw/zinc/11/02/50/1100110250.db2.gz DVIDFJCFHOPNAW-ZBFHGGJFSA-N 2 1 313.470 3.384 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237401640 1100110254 /nfs/dbraw/zinc/11/02/54/1100110254.db2.gz DVIDFJCFHOPNAW-ZBFHGGJFSA-N 2 1 313.470 3.384 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237402409 1100110444 /nfs/dbraw/zinc/11/04/44/1100110444.db2.gz HQDZQIFPOGWJLB-WMZOPIPTSA-N 2 1 311.429 3.224 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237402409 1100110447 /nfs/dbraw/zinc/11/04/47/1100110447.db2.gz HQDZQIFPOGWJLB-WMZOPIPTSA-N 2 1 311.429 3.224 20 0 DGADMP c1csc(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)n1 ZINC001237403055 1100112395 /nfs/dbraw/zinc/11/23/95/1100112395.db2.gz JUQPBROONIBMFK-NVXWUHKLSA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)n1 ZINC001237403055 1100112400 /nfs/dbraw/zinc/11/24/00/1100112400.db2.gz JUQPBROONIBMFK-NVXWUHKLSA-N 2 1 313.470 3.384 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2)nc1 ZINC001237405553 1100114267 /nfs/dbraw/zinc/11/42/67/1100114267.db2.gz RHGWXNZLPRQHJX-ICSRJNTNSA-N 2 1 307.441 3.323 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2O1 ZINC001237408423 1100115910 /nfs/dbraw/zinc/11/59/10/1100115910.db2.gz ZWTOKTOFDYJTGB-ZWKOTPCHSA-N 2 1 314.473 3.364 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2O1 ZINC001237408423 1100115914 /nfs/dbraw/zinc/11/59/14/1100115914.db2.gz ZWTOKTOFDYJTGB-ZWKOTPCHSA-N 2 1 314.473 3.364 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)n2)cc1 ZINC001237413122 1100117230 /nfs/dbraw/zinc/11/72/30/1100117230.db2.gz JHXCQOMDXZYRTI-MJGOQNOKSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)n2)cc1 ZINC001237413122 1100117236 /nfs/dbraw/zinc/11/72/36/1100117236.db2.gz JHXCQOMDXZYRTI-MJGOQNOKSA-N 2 1 307.441 3.323 20 0 DGADMP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001278094905 1100119910 /nfs/dbraw/zinc/11/99/10/1100119910.db2.gz OUDJOVDFTPQBIG-HJWRWDBZSA-N 2 1 323.525 3.044 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC001237427812 1100123472 /nfs/dbraw/zinc/12/34/72/1100123472.db2.gz ZHZRLULSJMMJKK-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001203709625 1100146526 /nfs/dbraw/zinc/14/65/26/1100146526.db2.gz LTVNHKSPAUXQFP-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001203709625 1100146534 /nfs/dbraw/zinc/14/65/34/1100146534.db2.gz LTVNHKSPAUXQFP-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001203709918 1100156539 /nfs/dbraw/zinc/15/65/39/1100156539.db2.gz VKLBAXBBIYWCMH-LJQANCHMSA-N 2 1 302.462 3.070 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001203709918 1100156545 /nfs/dbraw/zinc/15/65/45/1100156545.db2.gz VKLBAXBBIYWCMH-LJQANCHMSA-N 2 1 302.462 3.070 20 0 DGADMP Cc1coc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n1 ZINC001237647440 1100201473 /nfs/dbraw/zinc/20/14/73/1100201473.db2.gz XOUASGZTYLJDMD-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP Cc1coc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001237647440 1100201475 /nfs/dbraw/zinc/20/14/75/1100201475.db2.gz XOUASGZTYLJDMD-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c1)OCC2 ZINC001237750716 1100236994 /nfs/dbraw/zinc/23/69/94/1100236994.db2.gz LVEKQRFYSGCUAG-LJQANCHMSA-N 2 1 314.473 3.462 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c1)OCC2 ZINC001237750716 1100237003 /nfs/dbraw/zinc/23/70/03/1100237003.db2.gz LVEKQRFYSGCUAG-LJQANCHMSA-N 2 1 314.473 3.462 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](CO)CC3)cc21 ZINC001237880476 1100277249 /nfs/dbraw/zinc/27/72/49/1100277249.db2.gz GGNDFVCXWPJUDY-MRXNPFEDSA-N 2 1 314.473 3.282 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)cc21 ZINC001237887714 1100282363 /nfs/dbraw/zinc/28/23/63/1100282363.db2.gz XGNAQAZPKPHMMD-MJGOQNOKSA-N 2 1 312.457 3.299 20 0 DGADMP CCO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237890117 1100284396 /nfs/dbraw/zinc/28/43/96/1100284396.db2.gz RGLIXTXREUGXID-QGZVFWFLSA-N 2 1 300.446 3.299 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237888374 1100284895 /nfs/dbraw/zinc/28/48/95/1100284895.db2.gz CNHFYJBYECEVBH-UHFFFAOYSA-N 2 1 324.472 3.406 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205538446 1100324546 /nfs/dbraw/zinc/32/45/46/1100324546.db2.gz MEBJOUSQEWCKKE-DOTOQJQBSA-N 2 1 302.478 3.107 20 0 DGADMP c1[nH+]cn2c1cccc2C[NH+]1CCC(COc2cccnc2)CC1 ZINC001238104912 1100361532 /nfs/dbraw/zinc/36/15/32/1100361532.db2.gz APGHHCSBOCUMNU-UHFFFAOYSA-N 2 1 322.412 3.020 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001191119731 1100404554 /nfs/dbraw/zinc/40/45/54/1100404554.db2.gz AIJWFIKOOWUGIP-AZUAARDMSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001191446143 1100468512 /nfs/dbraw/zinc/46/85/12/1100468512.db2.gz ZPFFDWGDJRGQTG-MOPGFXCFSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001191446143 1100468522 /nfs/dbraw/zinc/46/85/22/1100468522.db2.gz ZPFFDWGDJRGQTG-MOPGFXCFSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001191446143 1100468527 /nfs/dbraw/zinc/46/85/27/1100468527.db2.gz ZPFFDWGDJRGQTG-MOPGFXCFSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238548740 1100469255 /nfs/dbraw/zinc/46/92/55/1100469255.db2.gz MBJGDZDISBYRHJ-UHFFFAOYSA-N 2 1 301.409 3.271 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238548740 1100469259 /nfs/dbraw/zinc/46/92/59/1100469259.db2.gz MBJGDZDISBYRHJ-UHFFFAOYSA-N 2 1 301.409 3.271 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](COC)Cc1ccccc1 ZINC001191454725 1100474358 /nfs/dbraw/zinc/47/43/58/1100474358.db2.gz QGFTZPWKBXSKLR-HXUWFJFHSA-N 2 1 318.505 3.442 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cnc1-c1ccccc1 ZINC001238610755 1100483592 /nfs/dbraw/zinc/48/35/92/1100483592.db2.gz ZHZDPVSXJWEDJK-UXHICEINSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cnc1-c1ccccc1 ZINC001238610755 1100483596 /nfs/dbraw/zinc/48/35/96/1100483596.db2.gz ZHZDPVSXJWEDJK-UXHICEINSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cnc1-c1ccccc1 ZINC001238610755 1100483598 /nfs/dbraw/zinc/48/35/98/1100483598.db2.gz ZHZDPVSXJWEDJK-UXHICEINSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238676708 1100499751 /nfs/dbraw/zinc/49/97/51/1100499751.db2.gz LBWBTMMHIIAGFD-MSOLQXFVSA-N 2 1 316.489 3.474 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001238676708 1100499753 /nfs/dbraw/zinc/49/97/53/1100499753.db2.gz LBWBTMMHIIAGFD-MSOLQXFVSA-N 2 1 316.489 3.474 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001238676708 1100499757 /nfs/dbraw/zinc/49/97/57/1100499757.db2.gz LBWBTMMHIIAGFD-MSOLQXFVSA-N 2 1 316.489 3.474 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1F ZINC001205571625 1100524996 /nfs/dbraw/zinc/52/49/96/1100524996.db2.gz WIUNZQPJINESPC-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2sccc2Br)CC[C@H]1C[NH3+] ZINC001205617820 1100684221 /nfs/dbraw/zinc/68/42/21/1100684221.db2.gz ODJTXVAAEOKFDX-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP COc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1Cl ZINC001240030920 1100840177 /nfs/dbraw/zinc/84/01/77/1100840177.db2.gz DYYBVGFLPILINT-UHFFFAOYSA-N 2 1 313.788 3.350 20 0 DGADMP Cc1[nH+]c(-c2cccc(CC[NH+]3CCOCC3)c2)cc2[nH]ccc21 ZINC001240261607 1100915473 /nfs/dbraw/zinc/91/54/73/1100915473.db2.gz YUTWUDRVJIOQDJ-UHFFFAOYSA-N 2 1 321.424 3.413 20 0 DGADMP c1cc(N2CCCC2)cc(-c2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001240475084 1101012785 /nfs/dbraw/zinc/01/27/85/1101012785.db2.gz SUCFEPOKEJVTSC-UHFFFAOYSA-N 2 1 323.440 3.181 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001195248531 1101105519 /nfs/dbraw/zinc/10/55/19/1101105519.db2.gz ASSLFFHONMDOJL-CVEARBPZSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001195248531 1101105523 /nfs/dbraw/zinc/10/55/23/1101105523.db2.gz ASSLFFHONMDOJL-CVEARBPZSA-N 2 1 312.498 3.018 20 0 DGADMP CC(=O)c1ccccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001241208255 1101296631 /nfs/dbraw/zinc/29/66/31/1101296631.db2.gz JRPGDKNZCBYCDK-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205778488 1101341580 /nfs/dbraw/zinc/34/15/80/1101341580.db2.gz HUNINXTXYCFKDT-CYBMUJFWSA-N 2 1 322.321 3.430 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205778488 1101341589 /nfs/dbraw/zinc/34/15/89/1101341589.db2.gz HUNINXTXYCFKDT-CYBMUJFWSA-N 2 1 322.321 3.430 20 0 DGADMP COCC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961797 1101445406 /nfs/dbraw/zinc/44/54/06/1101445406.db2.gz MBGMYURZYYFOEA-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP COCC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961797 1101445419 /nfs/dbraw/zinc/44/54/19/1101445419.db2.gz MBGMYURZYYFOEA-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP COCC[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961797 1101445430 /nfs/dbraw/zinc/44/54/30/1101445430.db2.gz MBGMYURZYYFOEA-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP COCC[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961797 1101445441 /nfs/dbraw/zinc/44/54/41/1101445441.db2.gz MBGMYURZYYFOEA-RLLQIKCJSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)nc2c1C[NH2+]CC2 ZINC001241501830 1101513254 /nfs/dbraw/zinc/51/32/54/1101513254.db2.gz VOAKUMPKNOEGNE-UHFFFAOYSA-N 2 1 319.452 3.325 20 0 DGADMP C[NH+](C)Cc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001241502964 1101515501 /nfs/dbraw/zinc/51/55/01/1101515501.db2.gz DPFLADOVMIKKHX-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP C[NH+](C)Cc1cncc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241507559 1101521745 /nfs/dbraw/zinc/52/17/45/1101521745.db2.gz ZABSWRMWWCIISM-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP CC[NH+](CC)Cc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001241580368 1101560633 /nfs/dbraw/zinc/56/06/33/1101560633.db2.gz GGAZFDLPFSRPMR-UHFFFAOYSA-N 2 1 324.472 3.000 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc3nc[nH]c3c2)CC1 ZINC001241703644 1101649042 /nfs/dbraw/zinc/64/90/42/1101649042.db2.gz UQKNNDIRWHYSPK-UHFFFAOYSA-N 2 1 306.413 3.153 20 0 DGADMP [NH3+][C@H]1CCc2c1cccc2-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241818256 1101724249 /nfs/dbraw/zinc/72/42/49/1101724249.db2.gz LFMVBTRDBVMWOZ-FQEVSTJZSA-N 2 1 308.425 3.132 20 0 DGADMP [NH3+]Cc1c[nH]c2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc12 ZINC001241819177 1101726498 /nfs/dbraw/zinc/72/64/98/1101726498.db2.gz MCQFWKUIZPXIJB-UHFFFAOYSA-N 2 1 321.424 3.126 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]3)n2)cc1 ZINC001242090757 1101903599 /nfs/dbraw/zinc/90/35/99/1101903599.db2.gz SSLVBFFXGBQLDH-INIZCTEOSA-N 2 1 319.412 3.454 20 0 DGADMP COc1ccc2ccccc2c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001242331945 1102057760 /nfs/dbraw/zinc/05/77/60/1102057760.db2.gz YTAMDRHTLAGBHP-UHFFFAOYSA-N 2 1 319.408 3.320 20 0 DGADMP CC(C)C[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199144672 1102070863 /nfs/dbraw/zinc/07/08/63/1102070863.db2.gz UTMVDLNCHJFTPT-SXLOBPIMSA-N 2 1 317.521 3.073 20 0 DGADMP CC(C)C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199144672 1102070878 /nfs/dbraw/zinc/07/08/78/1102070878.db2.gz UTMVDLNCHJFTPT-SXLOBPIMSA-N 2 1 317.521 3.073 20 0 DGADMP CCC(CC)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001199190384 1102081083 /nfs/dbraw/zinc/08/10/83/1102081083.db2.gz WOVJDBLFWCRJOM-FQEVSTJZSA-N 2 1 317.521 3.391 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc4ccncc43)cn12 ZINC001242371341 1102085198 /nfs/dbraw/zinc/08/51/98/1102085198.db2.gz RUWACEGBAGKQQF-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCc1cccc(Br)c1 ZINC001205901176 1102399292 /nfs/dbraw/zinc/39/92/92/1102399292.db2.gz BPXUSUWEPIDQKH-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1cccc(Br)c1 ZINC001205901176 1102399303 /nfs/dbraw/zinc/39/93/03/1102399303.db2.gz BPXUSUWEPIDQKH-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200894747 1102425698 /nfs/dbraw/zinc/42/56/98/1102425698.db2.gz XJGHAYBBLHVEEF-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904213 1102449180 /nfs/dbraw/zinc/44/91/80/1102449180.db2.gz TTZHNUVOIWZKFO-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904213 1102449185 /nfs/dbraw/zinc/44/91/85/1102449185.db2.gz TTZHNUVOIWZKFO-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912877 1102500805 /nfs/dbraw/zinc/50/08/05/1102500805.db2.gz DLFGRBJTAUMXEJ-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912877 1102500811 /nfs/dbraw/zinc/50/08/11/1102500811.db2.gz DLFGRBJTAUMXEJ-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201470304 1102594059 /nfs/dbraw/zinc/59/40/59/1102594059.db2.gz FUPUYHZTFODVHL-UHFFFAOYSA-N 2 1 308.491 3.071 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201541504 1102629715 /nfs/dbraw/zinc/62/97/15/1102629715.db2.gz FYVCRDSPFTUGIN-WDSOQIARSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201541504 1102629719 /nfs/dbraw/zinc/62/97/19/1102629719.db2.gz FYVCRDSPFTUGIN-WDSOQIARSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201541504 1102629727 /nfs/dbraw/zinc/62/97/27/1102629727.db2.gz FYVCRDSPFTUGIN-WDSOQIARSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201543267 1102631479 /nfs/dbraw/zinc/63/14/79/1102631479.db2.gz OPDIFJGTFMFWBT-IAGOWNOFSA-N 2 1 324.509 3.162 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923835 1102664452 /nfs/dbraw/zinc/66/44/52/1102664452.db2.gz PDSFVIGOZCNQJI-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923835 1102664458 /nfs/dbraw/zinc/66/44/58/1102664458.db2.gz PDSFVIGOZCNQJI-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(CCCc2ccccc2)CC1 ZINC001201674127 1102679518 /nfs/dbraw/zinc/67/95/18/1102679518.db2.gz WMKQTAYBPQXTEN-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201674127 1102679520 /nfs/dbraw/zinc/67/95/20/1102679520.db2.gz WMKQTAYBPQXTEN-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000161774600 1102754411 /nfs/dbraw/zinc/75/44/11/1102754411.db2.gz NWILIXVARWDAJV-UHFFFAOYSA-N 2 1 314.832 3.070 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001201946437 1102767252 /nfs/dbraw/zinc/76/72/52/1102767252.db2.gz CKWPLFRLGRCHPG-KGLIPLIRSA-N 2 1 307.507 3.448 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001201946437 1102767262 /nfs/dbraw/zinc/76/72/62/1102767262.db2.gz CKWPLFRLGRCHPG-KGLIPLIRSA-N 2 1 307.507 3.448 20 0 DGADMP CSc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)n1 ZINC001243582914 1102827164 /nfs/dbraw/zinc/82/71/64/1102827164.db2.gz QLQFXWXAGYHFSH-UHFFFAOYSA-N 2 1 310.426 3.113 20 0 DGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](CC2CCCC2)CC3)cn1 ZINC001202160895 1102865537 /nfs/dbraw/zinc/86/55/37/1102865537.db2.gz OHBZSLGCHWCGHJ-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP CSc1cc(F)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC001243942688 1103073068 /nfs/dbraw/zinc/07/30/68/1103073068.db2.gz AIVAMARWQZSBJT-UHFFFAOYSA-N 2 1 321.396 3.158 20 0 DGADMP Cc1nc2ccc(-c3ccccc3C[NH+]3CCC([NH3+])CC3)cc2[nH]1 ZINC001243967366 1103092546 /nfs/dbraw/zinc/09/25/46/1103092546.db2.gz WJBNATPVOHNERT-UHFFFAOYSA-N 2 1 320.440 3.461 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC001325720141 1103109057 /nfs/dbraw/zinc/10/90/57/1103109057.db2.gz CCNOFXKDBFMPJQ-GXFFZTMASA-N 2 1 301.356 3.065 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC001325743426 1103113922 /nfs/dbraw/zinc/11/39/22/1103113922.db2.gz NEYJRRIKYLXYKC-NSHDSACASA-N 2 1 305.809 3.049 20 0 DGADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC001326472539 1103332380 /nfs/dbraw/zinc/33/23/80/1103332380.db2.gz APBKROSSZMHCOK-AFYVEPGGSA-N 2 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC001326472539 1103332394 /nfs/dbraw/zinc/33/23/94/1103332394.db2.gz APBKROSSZMHCOK-AFYVEPGGSA-N 3 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC001326472539 1103332411 /nfs/dbraw/zinc/33/24/11/1103332411.db2.gz APBKROSSZMHCOK-AFYVEPGGSA-N 3 1 315.505 3.017 20 0 DGADMP CCCCC[C@@H](CC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258447263 1103336378 /nfs/dbraw/zinc/33/63/78/1103336378.db2.gz YHVBCNUHHKZDMY-MRXNPFEDSA-N 2 1 300.487 3.162 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001276333096 1103506178 /nfs/dbraw/zinc/50/61/78/1103506178.db2.gz DMJBFBWQKOXLIQ-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001276336034 1103507957 /nfs/dbraw/zinc/50/79/57/1103507957.db2.gz DMOZSYPSIMPTFN-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001276336034 1103507964 /nfs/dbraw/zinc/50/79/64/1103507964.db2.gz DMOZSYPSIMPTFN-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001276336034 1103507970 /nfs/dbraw/zinc/50/79/70/1103507970.db2.gz DMOZSYPSIMPTFN-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP Clc1cnc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001327090286 1103516385 /nfs/dbraw/zinc/51/63/85/1103516385.db2.gz UALUPMILSXKCBT-UHFFFAOYSA-N 2 1 314.260 3.354 20 0 DGADMP Clc1cnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001327090286 1103516387 /nfs/dbraw/zinc/51/63/87/1103516387.db2.gz UALUPMILSXKCBT-UHFFFAOYSA-N 2 1 314.260 3.354 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000097899266 1103555420 /nfs/dbraw/zinc/55/54/20/1103555420.db2.gz DTOYTLSMRDPHTI-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000097899266 1103555422 /nfs/dbraw/zinc/55/54/22/1103555422.db2.gz DTOYTLSMRDPHTI-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP C[NH2+]Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1F ZINC001244860042 1103726420 /nfs/dbraw/zinc/72/64/20/1103726420.db2.gz ZQLOBJCXEIFQFH-UHFFFAOYSA-N 2 1 314.404 3.044 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC001327840242 1103738818 /nfs/dbraw/zinc/73/88/18/1103738818.db2.gz NEGMXCPOAWBAKM-PSASIEDQSA-N 2 1 303.269 3.086 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@@H]2CCOC2)C3)cc1 ZINC001202529760 1103923216 /nfs/dbraw/zinc/92/32/16/1103923216.db2.gz LKBIIJCFCPATQF-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCOC2)C3)cc1 ZINC001202529760 1103923222 /nfs/dbraw/zinc/92/32/22/1103923222.db2.gz LKBIIJCFCPATQF-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCOC2)C3)cc1 ZINC001202529760 1103923229 /nfs/dbraw/zinc/92/32/29/1103923229.db2.gz LKBIIJCFCPATQF-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001137087666 1103970548 /nfs/dbraw/zinc/97/05/48/1103970548.db2.gz FDHCTRHAGXUYOR-SFHVURJKSA-N 2 1 324.472 3.470 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001137087666 1103970558 /nfs/dbraw/zinc/97/05/58/1103970558.db2.gz FDHCTRHAGXUYOR-SFHVURJKSA-N 2 1 324.472 3.470 20 0 DGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328605632 1103996772 /nfs/dbraw/zinc/99/67/72/1103996772.db2.gz BDIUSMMKIMFUQL-AWEZNQCLSA-N 2 1 305.466 3.499 20 0 DGADMP Fc1ccc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)[nH]c2c1 ZINC001245587418 1104138763 /nfs/dbraw/zinc/13/87/63/1104138763.db2.gz ATSYAFOEPIMIHZ-UHFFFAOYSA-N 2 1 306.344 3.309 20 0 DGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001202740148 1104198653 /nfs/dbraw/zinc/19/86/53/1104198653.db2.gz SYLNLXDGKGOTRX-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001202740148 1104198659 /nfs/dbraw/zinc/19/86/59/1104198659.db2.gz SYLNLXDGKGOTRX-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001202740148 1104198664 /nfs/dbraw/zinc/19/86/64/1104198664.db2.gz SYLNLXDGKGOTRX-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001202740148 1104198670 /nfs/dbraw/zinc/19/86/70/1104198670.db2.gz SYLNLXDGKGOTRX-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001202740148 1104198677 /nfs/dbraw/zinc/19/86/77/1104198677.db2.gz SYLNLXDGKGOTRX-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP O[C@@H](C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246026046 1104353858 /nfs/dbraw/zinc/35/38/58/1104353858.db2.gz CUFMUNNYHGPVNN-RBUKOAKNSA-N 2 1 320.452 3.105 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001246035002 1104356578 /nfs/dbraw/zinc/35/65/78/1104356578.db2.gz MQYGHSGNAIGAKU-FUHWJXTLSA-N 2 1 324.896 3.083 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001246035002 1104356590 /nfs/dbraw/zinc/35/65/90/1104356590.db2.gz MQYGHSGNAIGAKU-FUHWJXTLSA-N 2 1 324.896 3.083 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246055208 1104360052 /nfs/dbraw/zinc/36/00/52/1104360052.db2.gz LYZFBNGJIQEIIE-LJQANCHMSA-N 2 1 322.468 3.239 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H](O)C(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246069288 1104364332 /nfs/dbraw/zinc/36/43/32/1104364332.db2.gz WZCZCDFAIUBGDN-FHWLQOOXSA-N 2 1 318.505 3.474 20 0 DGADMP C[NH2+]CC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246071923 1104365858 /nfs/dbraw/zinc/36/58/58/1104365858.db2.gz DCJPSKWQDXVHGX-UHFFFAOYSA-N 2 1 311.267 3.284 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)C[NH2+]1 ZINC001246074925 1104368632 /nfs/dbraw/zinc/36/86/32/1104368632.db2.gz GHEXQTPUOUSCDY-QXCFHYIPSA-N 2 1 302.462 3.245 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c(OC)c1 ZINC001246074959 1104370198 /nfs/dbraw/zinc/37/01/98/1104370198.db2.gz RMBFZRMRHZVYRY-INIZCTEOSA-N 2 1 318.461 3.248 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246080911 1104374469 /nfs/dbraw/zinc/37/44/69/1104374469.db2.gz PUPDRICQPPWVAD-RTBURBONSA-N 3 1 303.494 3.369 20 0 DGADMP CC1(C)C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246091797 1104379566 /nfs/dbraw/zinc/37/95/66/1104379566.db2.gz QIFREGRNLDOGQK-RBUKOAKNSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246092988 1104381669 /nfs/dbraw/zinc/38/16/69/1104381669.db2.gz UHORYTVWGGWLAQ-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246112210 1104392619 /nfs/dbraw/zinc/39/26/19/1104392619.db2.gz DZDXCQGUUCATDT-IAGOWNOFSA-N 2 1 318.461 3.262 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246118953 1104394172 /nfs/dbraw/zinc/39/41/72/1104394172.db2.gz SZFRBJDHJDPXAD-CKUKBARFSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246116526 1104394875 /nfs/dbraw/zinc/39/48/75/1104394875.db2.gz NHTXSTWKUCCETF-FEUHOPSXSA-N 2 1 302.796 3.137 20 0 DGADMP CC[C@@H]1CC([NH2+]Cc2ccc(C(F)(F)F)n2C)C[C@@H](CC)[NH2+]1 ZINC001246122116 1104396312 /nfs/dbraw/zinc/39/63/12/1104396312.db2.gz VTGKJSPTTMATLF-VXGBXAGGSA-N 2 1 317.399 3.443 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1C[NH2+]CC13CC3)C2 ZINC001246127336 1104397811 /nfs/dbraw/zinc/39/78/11/1104397811.db2.gz BNWDOKLDFBWJGU-SWLSCSKDSA-N 2 1 311.256 3.192 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246133686 1104401960 /nfs/dbraw/zinc/40/19/60/1104401960.db2.gz LCODIRYDUFCZOO-UHOFOFEASA-N 2 1 323.278 3.254 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001329862543 1104402546 /nfs/dbraw/zinc/40/25/46/1104402546.db2.gz JUAHLXWXPANFRU-UHFFFAOYSA-N 2 1 310.401 3.212 20 0 DGADMP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246152773 1104408292 /nfs/dbraw/zinc/40/82/92/1104408292.db2.gz OQOCWTNHSDBALP-INIZCTEOSA-N 2 1 310.482 3.140 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162429 1104411222 /nfs/dbraw/zinc/41/12/22/1104411222.db2.gz YAOQQLXZWFXHBL-FHLIZLRMSA-N 2 1 322.880 3.162 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246163065 1104412347 /nfs/dbraw/zinc/41/23/47/1104412347.db2.gz KGGSDHJQCIHLPA-DDFAGTSDSA-N 2 1 304.331 3.463 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246172096 1104419343 /nfs/dbraw/zinc/41/93/43/1104419343.db2.gz ZAEWTUZKLDABOP-PIKOESSRSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]1C[C@H](NCC[NH2+]Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246172914 1104421136 /nfs/dbraw/zinc/42/11/36/1104421136.db2.gz YEOYQZIBVSTNOL-NQIIRXRSSA-N 2 1 323.484 3.029 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246187400 1104427541 /nfs/dbraw/zinc/42/75/41/1104427541.db2.gz ZPBFZOWANWFEEU-WFASDCNBSA-N 2 1 318.358 3.318 20 0 DGADMP CC1(C)C[C@@H](N[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246187335 1104427821 /nfs/dbraw/zinc/42/78/21/1104427821.db2.gz GRIHCJUCTYYXHC-AZUAARDMSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246190241 1104429541 /nfs/dbraw/zinc/42/95/41/1104429541.db2.gz QIEAZPXVYKZEGL-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191094 1104430343 /nfs/dbraw/zinc/43/03/43/1104430343.db2.gz TYBNNHWCXXIZIS-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246191455 1104430604 /nfs/dbraw/zinc/43/06/04/1104430604.db2.gz RLNYLBAAOIRGCH-KRWDZBQOSA-N 2 1 316.445 3.018 20 0 DGADMP CCC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC001246203793 1104435376 /nfs/dbraw/zinc/43/53/76/1104435376.db2.gz VBXFRKBQEWGVSY-GPANFISMSA-N 2 1 312.498 3.384 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC ZINC001246203581 1104435714 /nfs/dbraw/zinc/43/57/14/1104435714.db2.gz NBPBYDLSDPEZOJ-MSOLQXFVSA-N 2 1 320.477 3.048 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246202222 1104435758 /nfs/dbraw/zinc/43/57/58/1104435758.db2.gz SKQIIUCBTNFATG-BRWVUGGUSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246208010 1104436876 /nfs/dbraw/zinc/43/68/76/1104436876.db2.gz ZUIOQEKUVHDEIA-PSBWJHGTSA-N 3 1 315.505 3.288 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC ZINC001246204097 1104437545 /nfs/dbraw/zinc/43/75/45/1104437545.db2.gz OLVACXSZEXPPII-MSOLQXFVSA-N 2 1 320.477 3.048 20 0 DGADMP C[C@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]CC1(F)F ZINC001246223013 1104445096 /nfs/dbraw/zinc/44/50/96/1104445096.db2.gz UGKNEAKWPWLOHA-LSDHHAIUSA-N 2 1 314.807 3.032 20 0 DGADMP CCC[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246269849 1104467494 /nfs/dbraw/zinc/46/74/94/1104467494.db2.gz LROSKTOUPPLLDK-ZDUSSCGKSA-N 2 1 301.261 3.440 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CN1 ZINC001246272808 1104468825 /nfs/dbraw/zinc/46/88/25/1104468825.db2.gz WKCMCOAVDXJGMU-XWIAVFTESA-N 2 1 306.425 3.024 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[NH2+]1 ZINC001246276197 1104469171 /nfs/dbraw/zinc/46/91/71/1104469171.db2.gz KNSJPTNHELQWGR-QIIPPGSGSA-N 2 1 306.425 3.024 20 0 DGADMP CCC[NH2+]CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246272733 1104469475 /nfs/dbraw/zinc/46/94/75/1104469475.db2.gz VLIQADCQRITMCH-ACDBMABISA-N 2 1 315.505 3.161 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1(C)C ZINC001246291947 1104475630 /nfs/dbraw/zinc/47/56/30/1104475630.db2.gz VPALIJGYTIPNRH-HOCLYGCPSA-N 3 1 309.542 3.394 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@]3(CO)CC[NH2+]C3)CC2)CC1 ZINC001246286972 1104475672 /nfs/dbraw/zinc/47/56/72/1104475672.db2.gz ITKUEFNHTLGKSS-XBBDAYDNSA-N 2 1 308.510 3.076 20 0 DGADMP CCC1CCC(C2CCC([NH2+][C@]3(CCO)CC[NH2+]C3)CC2)CC1 ZINC001246295523 1104477011 /nfs/dbraw/zinc/47/70/11/1104477011.db2.gz OUFJUHGHTDFGEY-CEVCPLMDSA-N 2 1 322.537 3.466 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)Cc1ccccc1 ZINC001246299615 1104478973 /nfs/dbraw/zinc/47/89/73/1104478973.db2.gz LQFKJFYNNYYVOB-IRXDYDNUSA-N 2 1 314.860 3.357 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299447 1104479012 /nfs/dbraw/zinc/47/90/12/1104479012.db2.gz KLSKGNYEGDLNNU-KSSFIOAISA-N 2 1 302.849 3.431 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc2C1)Cc1ccccc1 ZINC001246300267 1104479330 /nfs/dbraw/zinc/47/93/30/1104479330.db2.gz PEZBDTSBKCIGMR-OALUTQOASA-N 2 1 314.860 3.357 20 0 DGADMP CCCC[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298733 1104479381 /nfs/dbraw/zinc/47/93/81/1104479381.db2.gz DSJQHPXRDVOZIZ-HSALFYBXSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298733 1104479387 /nfs/dbraw/zinc/47/93/87/1104479387.db2.gz DSJQHPXRDVOZIZ-HSALFYBXSA-N 2 1 315.505 3.161 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246311637 1104484279 /nfs/dbraw/zinc/48/42/79/1104484279.db2.gz QLXVTTPGGRPHQU-OALUTQOASA-N 2 1 317.521 3.393 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)C[C@H](CC)[NH2+]1 ZINC001246318174 1104485504 /nfs/dbraw/zinc/48/55/04/1104485504.db2.gz YVCLUVVGQQXRAR-KRXQYRFLSA-N 2 1 318.461 3.418 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000718057944 1104491812 /nfs/dbraw/zinc/49/18/12/1104491812.db2.gz ZEJCNIWTYQEKSI-ROUUACIJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001246328898 1104492683 /nfs/dbraw/zinc/49/26/83/1104492683.db2.gz ZOVSMKGGLFQZSC-RLCCDNCMSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246329466 1104493176 /nfs/dbraw/zinc/49/31/76/1104493176.db2.gz QUVLCDPADZWXQS-LALPHHSUSA-N 2 1 316.367 3.246 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358603 1104506113 /nfs/dbraw/zinc/50/61/13/1104506113.db2.gz FUTVILRTNWOXGX-YWPYICTPSA-N 2 1 311.267 3.110 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+]C2C[C@@H](CC)[NH2+][C@H](CC)C2)cc1 ZINC001246364701 1104510170 /nfs/dbraw/zinc/51/01/70/1104510170.db2.gz TUEAQMFRNITNKZ-IAGOWNOFSA-N 2 1 318.461 3.262 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)cc1 ZINC001246364703 1104510180 /nfs/dbraw/zinc/51/01/80/1104510180.db2.gz TUEAQMFRNITNKZ-PIIMJCKOSA-N 2 1 318.461 3.262 20 0 DGADMP COc1cccc(C2([NH2+][C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c1 ZINC001246365434 1104511269 /nfs/dbraw/zinc/51/12/69/1104511269.db2.gz ZTMRSQWPKJCAOB-DOTOQJQBSA-N 2 1 302.462 3.441 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC001246388848 1104520343 /nfs/dbraw/zinc/52/03/43/1104520343.db2.gz JJZJLUMQTYQFNE-KBPBESRZSA-N 2 1 308.853 3.076 20 0 DGADMP CC[C@@H]1CC([NH2+][C@H](c2cccnc2OC)C2CC2)C[C@@H](CC)[NH2+]1 ZINC001246394211 1104524072 /nfs/dbraw/zinc/52/40/72/1104524072.db2.gz MASJRFJTSUQKPE-RKVPGOIHSA-N 2 1 317.477 3.440 20 0 DGADMP CCCC(CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246403288 1104527304 /nfs/dbraw/zinc/52/73/04/1104527304.db2.gz CLSJRANAKDFHCV-SFHVURJKSA-N 2 1 320.477 3.396 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407045 1104529432 /nfs/dbraw/zinc/52/94/32/1104529432.db2.gz SONXQIPPDBECJH-QZHFEQFPSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCOc3cc(C(F)(F)F)ccc32)CC[NH2+]1 ZINC001246410441 1104531019 /nfs/dbraw/zinc/53/10/19/1104531019.db2.gz JPXIUZYESSLXKZ-JKOKRWQUSA-N 2 1 314.351 3.259 20 0 DGADMP Fc1cccc(CC2([NH2+][C@H]3CC[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246415910 1104533005 /nfs/dbraw/zinc/53/30/05/1104533005.db2.gz PHBJUOWCNIPCAP-HNNXBMFYSA-N 2 1 312.379 3.268 20 0 DGADMP CC1(C)C[NH2+]C[C@H](C[NH2+]C2CCC(c3ccccc3)CC2)O1 ZINC001246413718 1104533204 /nfs/dbraw/zinc/53/32/04/1104533204.db2.gz PSOMAFNCVDYMHG-DAWZGUTISA-N 2 1 302.462 3.069 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@H]3CC[C@H](C)[NH2+]C3)CCC2)c1 ZINC001246429560 1104535576 /nfs/dbraw/zinc/53/55/76/1104535576.db2.gz AIJPGWCFGHBPHQ-RDJZCZTQSA-N 2 1 302.462 3.138 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274891258 1104535749 /nfs/dbraw/zinc/53/57/49/1104535749.db2.gz ZPOOFBXKTJPHHL-HXUWFJFHSA-N 2 1 316.489 3.436 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001274891258 1104535756 /nfs/dbraw/zinc/53/57/56/1104535756.db2.gz ZPOOFBXKTJPHHL-HXUWFJFHSA-N 2 1 316.489 3.436 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001274891258 1104535764 /nfs/dbraw/zinc/53/57/64/1104535764.db2.gz ZPOOFBXKTJPHHL-HXUWFJFHSA-N 2 1 316.489 3.436 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccc2C(F)(F)F)C[NH2+]1 ZINC001246429630 1104536118 /nfs/dbraw/zinc/53/61/18/1104536118.db2.gz CAYZNGAISNQDCT-AAEUAGOBSA-N 2 1 300.368 3.367 20 0 DGADMP C[NH2+]C1CCC([NH2+]C2(c3cccc(Cl)c3)CCNCC2)CC1 ZINC001246429982 1104536396 /nfs/dbraw/zinc/53/63/96/1104536396.db2.gz LUVZVVAPGPZSGT-UHFFFAOYSA-N 2 1 321.896 3.039 20 0 DGADMP C[NH2+]C1CCC(NC2(c3cccc(Cl)c3)CC[NH2+]CC2)CC1 ZINC001246429982 1104536400 /nfs/dbraw/zinc/53/64/00/1104536400.db2.gz LUVZVVAPGPZSGT-UHFFFAOYSA-N 2 1 321.896 3.039 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccc2C(F)(F)F)C[NH2+]1 ZINC001246429632 1104536944 /nfs/dbraw/zinc/53/69/44/1104536944.db2.gz CAYZNGAISNQDCT-DGCLKSJQSA-N 2 1 300.368 3.367 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC001330316108 1104537106 /nfs/dbraw/zinc/53/71/06/1104537106.db2.gz ORNZZVFUMHPJLD-JKSUJKDBSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246451830 1104543726 /nfs/dbraw/zinc/54/37/26/1104543726.db2.gz IARWWTOCHDVDTB-CYBMUJFWSA-N 2 1 301.261 3.438 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)C2 ZINC001246458719 1104547734 /nfs/dbraw/zinc/54/77/34/1104547734.db2.gz BKXRWJVNCPINNQ-ZWKOTPCHSA-N 2 1 304.865 3.319 20 0 DGADMP CC(C)[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246461324 1104549310 /nfs/dbraw/zinc/54/93/10/1104549310.db2.gz OXXJIDRQGXPZME-GOSISDBHSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)CN1 ZINC001246470714 1104552672 /nfs/dbraw/zinc/55/26/72/1104552672.db2.gz OUKPOLBIMLNCAV-NVXWUHKLSA-N 2 1 311.429 3.147 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C[NH2+]1 ZINC001246470714 1104552682 /nfs/dbraw/zinc/55/26/82/1104552682.db2.gz OUKPOLBIMLNCAV-NVXWUHKLSA-N 2 1 311.429 3.147 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](CCc1ccc(F)cc1Cl)CC2 ZINC001274953480 1104554487 /nfs/dbraw/zinc/55/44/87/1104554487.db2.gz RMGZIPQIULNXLY-UHFFFAOYSA-N 2 1 310.844 3.439 20 0 DGADMP CCc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246490551 1104562105 /nfs/dbraw/zinc/56/21/05/1104562105.db2.gz QZZORRYMSAAFAD-PBHICJAKSA-N 2 1 310.432 3.405 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246547364 1104588405 /nfs/dbraw/zinc/58/84/05/1104588405.db2.gz PFYHXQRPULHQNM-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246502272 1104568723 /nfs/dbraw/zinc/56/87/23/1104568723.db2.gz GVKOJIYTVOUXOE-OMBOPSAGSA-N 2 1 314.807 3.137 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246502362 1104568746 /nfs/dbraw/zinc/56/87/46/1104568746.db2.gz VLVIZVBBWPETIZ-BBWFWOEESA-N 2 1 310.869 3.274 20 0 DGADMP COc1cccc([C@H](C[NH3+])N[C@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508847 1104571128 /nfs/dbraw/zinc/57/11/28/1104571128.db2.gz FIXSGKQPXBZJLY-ICSRJNTNSA-N 2 1 310.441 3.151 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246520153 1104576162 /nfs/dbraw/zinc/57/61/62/1104576162.db2.gz RBBAHCQKUSJCGS-IZZQQSIFSA-N 2 1 301.478 3.118 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246523549 1104577031 /nfs/dbraw/zinc/57/70/31/1104577031.db2.gz NSLCTJUARHAMAX-INIZCTEOSA-N 2 1 302.462 3.092 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246524910 1104577168 /nfs/dbraw/zinc/57/71/68/1104577168.db2.gz UXJXLTRBCFOHJP-MRXNPFEDSA-N 2 1 302.437 3.149 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)[C@@H](c2ccccc2)C1 ZINC001246530463 1104579525 /nfs/dbraw/zinc/57/95/25/1104579525.db2.gz YLIGPHIQRJQXBU-GUDVDZBRSA-N 2 1 315.505 3.142 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246533740 1104579602 /nfs/dbraw/zinc/57/96/02/1104579602.db2.gz NZGTWKGNFGNFRP-BJWYYQGGSA-N 2 1 319.880 3.053 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246536818 1104581569 /nfs/dbraw/zinc/58/15/69/1104581569.db2.gz RYAOCRSXGMSJCU-INIZCTEOSA-N 2 1 316.489 3.480 20 0 DGADMP Clc1ccc(C2=CC[N@H+]([C@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246535824 1104581927 /nfs/dbraw/zinc/58/19/27/1104581927.db2.gz LVTAQLQWQCZRAL-MRXNPFEDSA-N 2 1 320.889 3.277 20 0 DGADMP CC[C@@H]1C[C@@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC001246535151 1104582249 /nfs/dbraw/zinc/58/22/49/1104582249.db2.gz WJYHNPKCZISXTQ-BWPNAZKDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538687 1104583424 /nfs/dbraw/zinc/58/34/24/1104583424.db2.gz FFZZKULYAYMUKA-SGMGOOAPSA-N 2 1 300.368 3.163 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246543541 1104585049 /nfs/dbraw/zinc/58/50/49/1104585049.db2.gz ZVDDIZXCNFQTTO-IEBWSBKVSA-N 2 1 319.468 3.259 20 0 DGADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040536 1104586165 /nfs/dbraw/zinc/58/61/65/1104586165.db2.gz MRJBAJGIYQRVQV-WOJBJXKFSA-N 2 1 319.537 3.082 20 0 DGADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040534 1104586408 /nfs/dbraw/zinc/58/64/08/1104586408.db2.gz MRJBAJGIYQRVQV-UXHICEINSA-N 2 1 319.537 3.082 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546075 1104588998 /nfs/dbraw/zinc/58/89/98/1104588998.db2.gz ZBSVTYDTWGJDJM-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546075 1104589002 /nfs/dbraw/zinc/58/90/02/1104589002.db2.gz ZBSVTYDTWGJDJM-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246550820 1104589802 /nfs/dbraw/zinc/58/98/02/1104589802.db2.gz OHVHQSAAMQUEHM-IRXDYDNUSA-N 2 1 310.844 3.350 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246549631 1104590299 /nfs/dbraw/zinc/59/02/99/1104590299.db2.gz HNSMPHQECLEYME-PIIMJCKOSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ccc(OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246549631 1104590304 /nfs/dbraw/zinc/59/03/04/1104590304.db2.gz HNSMPHQECLEYME-PIIMJCKOSA-N 2 1 302.462 3.363 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC001246552566 1104590474 /nfs/dbraw/zinc/59/04/74/1104590474.db2.gz QEJHGXRQQKEXAH-INECWFNRSA-N 2 1 302.462 3.293 20 0 DGADMP C[C@@H]1C[C@H](N2CCC[C@@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549290 1104590722 /nfs/dbraw/zinc/59/07/22/1104590722.db2.gz ICRWTIOOWFTSJY-MISYRCLQSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549290 1104590726 /nfs/dbraw/zinc/59/07/26/1104590726.db2.gz ICRWTIOOWFTSJY-MISYRCLQSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549290 1104590732 /nfs/dbraw/zinc/59/07/32/1104590732.db2.gz ICRWTIOOWFTSJY-MISYRCLQSA-N 2 1 315.505 3.243 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)CC2 ZINC001246553121 1104590885 /nfs/dbraw/zinc/59/08/85/1104590885.db2.gz RQAIQKHIPCMWRH-MGPQQGTHSA-N 2 1 322.880 3.123 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556614 1104592437 /nfs/dbraw/zinc/59/24/37/1104592437.db2.gz JUTYIPLYVLZHSP-CHWSQXEVSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556614 1104592442 /nfs/dbraw/zinc/59/24/42/1104592442.db2.gz JUTYIPLYVLZHSP-CHWSQXEVSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CCC1(F)F ZINC001246554854 1104592689 /nfs/dbraw/zinc/59/26/89/1104592689.db2.gz DZSVMDTYGHBOCQ-UKRRQHHQSA-N 2 1 314.807 3.113 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC001246553703 1104593030 /nfs/dbraw/zinc/59/30/30/1104593030.db2.gz UFOYIXAQSXMJBD-OVZGMEQFSA-N 2 1 316.489 3.431 20 0 DGADMP C[C@H]1C[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CCC[C@H]1C[NH3+] ZINC001246559481 1104595796 /nfs/dbraw/zinc/59/57/96/1104595796.db2.gz AKUDDASBEDJTIZ-SOEBMCCKSA-N 2 1 324.509 3.194 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001246563578 1104597036 /nfs/dbraw/zinc/59/70/36/1104597036.db2.gz XHMGTMHKFOKOPZ-XYJFISCASA-N 2 1 304.478 3.323 20 0 DGADMP C[C@H]1C[NH2+]CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246571823 1104600109 /nfs/dbraw/zinc/60/01/09/1104600109.db2.gz NHCBQBGEBIBRIJ-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2)CC1 ZINC001246567990 1104600388 /nfs/dbraw/zinc/60/03/88/1104600388.db2.gz NMGARBUWXDZJIU-MHEUWTTISA-N 2 1 308.510 3.156 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@](C)(C[NH3+])CC1)C2 ZINC001246577772 1104604377 /nfs/dbraw/zinc/60/43/77/1104604377.db2.gz PIHLUVWJKDPMMM-VQIMIIECSA-N 2 1 302.462 3.003 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(C[NH+](Cc3cc(C)nn3C)C2)CC1 ZINC001275072925 1104608503 /nfs/dbraw/zinc/60/85/03/1104608503.db2.gz JPHJDBLBTKYGHK-INIZCTEOSA-N 2 1 318.509 3.063 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1)C2 ZINC001246589293 1104608577 /nfs/dbraw/zinc/60/85/77/1104608577.db2.gz FGJDYBMBMCPTGZ-MSOLQXFVSA-N 2 1 316.489 3.405 20 0 DGADMP CC(C)[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@H]1CCC[NH2+]CC1 ZINC001246593433 1104609366 /nfs/dbraw/zinc/60/93/66/1104609366.db2.gz NCSQQDMQOOZYTR-KRWDZBQOSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246591921 1104609582 /nfs/dbraw/zinc/60/95/82/1104609582.db2.gz VRJQJRWGFVNROH-KCPJHIHWSA-N 2 1 318.358 3.398 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246591921 1104609586 /nfs/dbraw/zinc/60/95/86/1104609586.db2.gz VRJQJRWGFVNROH-KCPJHIHWSA-N 2 1 318.358 3.398 20 0 DGADMP CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275074306 1104609851 /nfs/dbraw/zinc/60/98/51/1104609851.db2.gz QKBVXZLUWJBQFJ-FUHWJXTLSA-N 2 1 304.482 3.134 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591173 1104610690 /nfs/dbraw/zinc/61/06/90/1104610690.db2.gz MFKQFPXGJPQOSU-QLFBSQMISA-N 2 1 322.415 3.077 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591173 1104610692 /nfs/dbraw/zinc/61/06/92/1104610692.db2.gz MFKQFPXGJPQOSU-QLFBSQMISA-N 2 1 322.415 3.077 20 0 DGADMP C1CN2CCC1C[C@@H]([NH+]1CCCC3(CCCC[NH2+]C3)CCC1)C2 ZINC001246593080 1104610911 /nfs/dbraw/zinc/61/09/11/1104610911.db2.gz FTRNKOPDWLTYGR-LJQANCHMSA-N 2 1 319.537 3.107 20 0 DGADMP c1ccc([C@H]2C[NH2+]CCN2[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246594639 1104611868 /nfs/dbraw/zinc/61/18/68/1104611868.db2.gz QAKGCXPHLZHENZ-VQTJNVASSA-N 2 1 313.489 3.040 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3cc4c(cc3C2)OCO4)C[C@H](CC)[NH2+]1 ZINC001246594165 1104612560 /nfs/dbraw/zinc/61/25/60/1104612560.db2.gz DSBGAZZVAFXXCZ-FVQHAEBGSA-N 2 1 316.445 3.083 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)C[C@H](CC)[NH2+]1 ZINC001246594165 1104612565 /nfs/dbraw/zinc/61/25/65/1104612565.db2.gz DSBGAZZVAFXXCZ-FVQHAEBGSA-N 2 1 316.445 3.083 20 0 DGADMP CC(C)[N@@H+]([C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246595951 1104614533 /nfs/dbraw/zinc/61/45/33/1104614533.db2.gz UHVZCPGICJTHBM-ZWKOTPCHSA-N 3 1 307.526 3.294 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246595951 1104614538 /nfs/dbraw/zinc/61/45/38/1104614538.db2.gz UHVZCPGICJTHBM-ZWKOTPCHSA-N 2 1 307.526 3.294 20 0 DGADMP COc1cccc(C[C@@H](C)[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001246595953 1104614769 /nfs/dbraw/zinc/61/47/69/1104614769.db2.gz UHWJAXDEZFJJKE-AEFFLSMTSA-N 2 1 304.478 3.479 20 0 DGADMP C[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246596444 1104614933 /nfs/dbraw/zinc/61/49/33/1104614933.db2.gz QFSSFLNJRQQAKK-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N2CCCC[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC001246598090 1104615930 /nfs/dbraw/zinc/61/59/30/1104615930.db2.gz ZPYUCPZXRAOIJW-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246602937 1104620635 /nfs/dbraw/zinc/62/06/35/1104620635.db2.gz FGSVZHXIUVDOPK-LPHOPBHVSA-N 2 1 320.427 3.430 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246604779 1104620959 /nfs/dbraw/zinc/62/09/59/1104620959.db2.gz IVRIMYHDEOKGTJ-LPHOPBHVSA-N 2 1 320.427 3.430 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCNC[C@H]2c2ccccc2)CC1 ZINC001246604935 1104622358 /nfs/dbraw/zinc/62/23/58/1104622358.db2.gz VXPNRPHDXMHAKK-MHJFOBGBSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+](CC)C1CCC(N2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC001246604935 1104622364 /nfs/dbraw/zinc/62/23/64/1104622364.db2.gz VXPNRPHDXMHAKK-MHJFOBGBSA-N 2 1 315.505 3.286 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246605512 1104622663 /nfs/dbraw/zinc/62/26/63/1104622663.db2.gz KSNCZTAQLPMRKK-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246606913 1104624091 /nfs/dbraw/zinc/62/40/91/1104624091.db2.gz ONICCQJWPTUEHM-RBUKOAKNSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246606916 1104624979 /nfs/dbraw/zinc/62/49/79/1104624979.db2.gz ONICCQJWPTUEHM-RTBURBONSA-N 2 1 302.437 3.291 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246610516 1104625932 /nfs/dbraw/zinc/62/59/32/1104625932.db2.gz BGXUIAOQZCCFDI-XLIONFOSSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246610516 1104625936 /nfs/dbraw/zinc/62/59/36/1104625936.db2.gz BGXUIAOQZCCFDI-XLIONFOSSA-N 2 1 314.473 3.161 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246621758 1104632470 /nfs/dbraw/zinc/63/24/70/1104632470.db2.gz GBSCLCFVEQWYPM-DWRORGKVSA-N 2 1 313.489 3.438 20 0 DGADMP CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3scnc3C)CC[C@@H]2C1 ZINC001275117493 1104632424 /nfs/dbraw/zinc/63/24/24/1104632424.db2.gz GWDVYSASGFXQPI-IYBDPMFKSA-N 2 1 307.507 3.395 20 0 DGADMP CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001275117493 1104632428 /nfs/dbraw/zinc/63/24/28/1104632428.db2.gz GWDVYSASGFXQPI-IYBDPMFKSA-N 2 1 307.507 3.395 20 0 DGADMP CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001275117493 1104632432 /nfs/dbraw/zinc/63/24/32/1104632432.db2.gz GWDVYSASGFXQPI-IYBDPMFKSA-N 2 1 307.507 3.395 20 0 DGADMP CCCCCC[C@@H](CCCC)[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246624970 1104632891 /nfs/dbraw/zinc/63/28/91/1104632891.db2.gz GQCBSKLEHFFXCV-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246623677 1104633347 /nfs/dbraw/zinc/63/33/47/1104633347.db2.gz BTWZISNPPAFAFY-MCIONIFRSA-N 2 1 310.844 3.342 20 0 DGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246627220 1104634737 /nfs/dbraw/zinc/63/47/37/1104634737.db2.gz VOUICYBCHXUJAI-JENIJYKNSA-N 2 1 316.489 3.269 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246630456 1104636510 /nfs/dbraw/zinc/63/65/10/1104636510.db2.gz OWJREHFFSZLCHS-ACJLOTCBSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246630456 1104636515 /nfs/dbraw/zinc/63/65/15/1104636515.db2.gz OWJREHFFSZLCHS-ACJLOTCBSA-N 2 1 324.390 3.037 20 0 DGADMP c1ccc(C2CCC([N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246630761 1104637355 /nfs/dbraw/zinc/63/73/55/1104637355.db2.gz LLORETNLKJKRFA-CQJJOKNBSA-N 2 1 314.473 3.023 20 0 DGADMP CCCCCC[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275127110 1104637958 /nfs/dbraw/zinc/63/79/58/1104637958.db2.gz VCYDDGAEVYNXOB-IBGZPJMESA-N 2 1 318.509 3.251 20 0 DGADMP CCCCCC[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275127110 1104637965 /nfs/dbraw/zinc/63/79/65/1104637965.db2.gz VCYDDGAEVYNXOB-IBGZPJMESA-N 2 1 318.509 3.251 20 0 DGADMP CCCCCC[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275127110 1104637974 /nfs/dbraw/zinc/63/79/74/1104637974.db2.gz VCYDDGAEVYNXOB-IBGZPJMESA-N 2 1 318.509 3.251 20 0 DGADMP Clc1cccc2c1C[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CC2 ZINC001246632403 1104638538 /nfs/dbraw/zinc/63/85/38/1104638538.db2.gz XWFWXXCCIIAMSH-OWCLPIDISA-N 2 1 304.865 3.129 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246632458 1104638737 /nfs/dbraw/zinc/63/87/37/1104638737.db2.gz VJZXZKQZUZBHHW-QZTJIDSGSA-N 2 1 304.865 3.273 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(C1)C[NH2+]CCC3(F)F)CC2 ZINC001246636991 1104640271 /nfs/dbraw/zinc/64/02/71/1104640271.db2.gz IGXRUQWVQQKOIL-QZTJIDSGSA-N 2 1 320.427 3.173 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001246637454 1104640461 /nfs/dbraw/zinc/64/04/61/1104640461.db2.gz YSDVPKGECVNFFJ-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246643335 1104642015 /nfs/dbraw/zinc/64/20/15/1104642015.db2.gz YIWSPFZBNGCEDF-WOJBJXKFSA-N 2 1 316.489 3.100 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001246644828 1104643248 /nfs/dbraw/zinc/64/32/48/1104643248.db2.gz LYXBMGMMTOAZIZ-OXQOHEQNSA-N 2 1 316.489 3.480 20 0 DGADMP C1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@H](C2CC[NH2+]CC2)C1 ZINC001246646171 1104644349 /nfs/dbraw/zinc/64/43/49/1104644349.db2.gz OTILINQTWARKEA-IBGZPJMESA-N 3 1 319.537 3.153 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646397 1104644359 /nfs/dbraw/zinc/64/43/59/1104644359.db2.gz ZLNGROUVBZLQGY-GBESFXJTSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCCC[C@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646397 1104644363 /nfs/dbraw/zinc/64/43/63/1104644363.db2.gz ZLNGROUVBZLQGY-GBESFXJTSA-N 2 1 300.446 3.125 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647453 1104645219 /nfs/dbraw/zinc/64/52/19/1104645219.db2.gz SHMIGIUKLQCRQM-PKOBYXMFSA-N 3 1 309.542 3.351 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246648192 1104645461 /nfs/dbraw/zinc/64/54/61/1104645461.db2.gz LCWYJUUDRWFFMQ-UXHICEINSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648192 1104645466 /nfs/dbraw/zinc/64/54/66/1104645466.db2.gz LCWYJUUDRWFFMQ-UXHICEINSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648192 1104645468 /nfs/dbraw/zinc/64/54/68/1104645468.db2.gz LCWYJUUDRWFFMQ-UXHICEINSA-N 2 1 316.489 3.242 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647450 1104645819 /nfs/dbraw/zinc/64/58/19/1104645819.db2.gz SHMIGIUKLQCRQM-HKUYNNGSSA-N 3 1 309.542 3.351 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246653614 1104649044 /nfs/dbraw/zinc/64/90/44/1104649044.db2.gz IMDRFIJBZQQZBR-QYZOEREBSA-N 3 1 307.526 3.151 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H]3CCC[C@@]3([NH3+])C1)CC2 ZINC001246665853 1104654604 /nfs/dbraw/zinc/65/46/04/1104654604.db2.gz RDCPLZJGDXMSGD-FHSNZYRGSA-N 2 1 320.864 3.019 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246670457 1104656134 /nfs/dbraw/zinc/65/61/34/1104656134.db2.gz CXPZKFNBMVYNTO-SLYNCCJLSA-N 2 1 324.468 3.464 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246670457 1104656142 /nfs/dbraw/zinc/65/61/42/1104656142.db2.gz CXPZKFNBMVYNTO-SLYNCCJLSA-N 2 1 324.468 3.464 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[NH2+]CC[C@@H]31)C2 ZINC001246676743 1104657248 /nfs/dbraw/zinc/65/72/48/1104657248.db2.gz SBJKDXBHLWUZPR-RBOXIYTFSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[NH2+]CC[C@@H]31)C2 ZINC001246676743 1104657251 /nfs/dbraw/zinc/65/72/51/1104657251.db2.gz SBJKDXBHLWUZPR-RBOXIYTFSA-N 2 1 311.256 3.144 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246676314 1104657309 /nfs/dbraw/zinc/65/73/09/1104657309.db2.gz BRQXEVDRJYRNHX-YTQUADARSA-N 2 1 316.489 3.338 20 0 DGADMP CCSC[C@@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246674006 1104657396 /nfs/dbraw/zinc/65/73/96/1104657396.db2.gz RURBLWZABOFLOT-KBAYOESNSA-N 2 1 304.503 3.207 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246678440 1104658172 /nfs/dbraw/zinc/65/81/72/1104658172.db2.gz NNAICCHRPAQYAY-OKZBNKHCSA-N 2 1 324.509 3.210 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246678106 1104658990 /nfs/dbraw/zinc/65/89/90/1104658990.db2.gz NANXOIZVXGYIBL-YESZJQIVSA-N 2 1 302.437 3.005 20 0 DGADMP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@H]4CCCC5(CCCCC5)C4)C[C@@H]13)O2 ZINC001246683294 1104659660 /nfs/dbraw/zinc/65/96/60/1104659660.db2.gz IILDREBRGYTONU-AJYBTWMASA-N 2 1 318.505 3.332 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679779 1104659702 /nfs/dbraw/zinc/65/97/02/1104659702.db2.gz XONDXFQINYZDNG-OTWHNJEPSA-N 3 1 309.542 3.209 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246679589 1104660013 /nfs/dbraw/zinc/66/00/13/1104660013.db2.gz WCEMBKQQMBHWMH-MTHXSQLBSA-N 3 1 307.526 3.007 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679776 1104660253 /nfs/dbraw/zinc/66/02/53/1104660253.db2.gz XONDXFQINYZDNG-FHWLQOOXSA-N 3 1 309.542 3.209 20 0 DGADMP C[N@@H+](CCC[NH3+])[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246683096 1104660549 /nfs/dbraw/zinc/66/05/49/1104660549.db2.gz ZEUBRQCQHDHKOS-FQEVSTJZSA-N 2 1 324.468 3.404 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001246691646 1104661777 /nfs/dbraw/zinc/66/17/77/1104661777.db2.gz LWOPKNUKDIGPBO-ZYSHUDEJSA-N 2 1 320.452 3.040 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001246691640 1104662209 /nfs/dbraw/zinc/66/22/09/1104662209.db2.gz LWOPKNUKDIGPBO-IPELMVKDSA-N 2 1 320.452 3.040 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246693893 1104664191 /nfs/dbraw/zinc/66/41/91/1104664191.db2.gz UBUGEODFKBNEAB-LLVKDONJSA-N 2 1 317.285 3.273 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692829 1104664205 /nfs/dbraw/zinc/66/42/05/1104664205.db2.gz PAUMFCIQRDFPLL-COXVUDFISA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692829 1104664207 /nfs/dbraw/zinc/66/42/07/1104664207.db2.gz PAUMFCIQRDFPLL-COXVUDFISA-N 2 1 310.844 3.295 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001246694749 1104664264 /nfs/dbraw/zinc/66/42/64/1104664264.db2.gz SOTZIROHRKSNBJ-ZTFGCOKTSA-N 2 1 322.855 3.221 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246779031 1104668457 /nfs/dbraw/zinc/66/84/57/1104668457.db2.gz OVWZJPHWYOKZNE-GJZGRUSLSA-N 2 1 311.267 3.412 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246780329 1104670463 /nfs/dbraw/zinc/67/04/63/1104670463.db2.gz CLZYRZGWQSHOOZ-SJLPKXTDSA-N 2 1 318.436 3.201 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779946 1104671012 /nfs/dbraw/zinc/67/10/12/1104671012.db2.gz RLLCRAVBQQQJTJ-IAGOWNOFSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779946 1104671017 /nfs/dbraw/zinc/67/10/17/1104671017.db2.gz RLLCRAVBQQQJTJ-IAGOWNOFSA-N 2 1 320.477 3.446 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)c1 ZINC001246783271 1104671964 /nfs/dbraw/zinc/67/19/64/1104671964.db2.gz SPFCTHPNLMBQGV-CLCXKQKWSA-N 2 1 318.461 3.067 20 0 DGADMP CCC1(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)COC1 ZINC001275188865 1104672048 /nfs/dbraw/zinc/67/20/48/1104672048.db2.gz XSJSHTCYEHNNRL-LJQANCHMSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246783004 1104672260 /nfs/dbraw/zinc/67/22/60/1104672260.db2.gz VEJXIMFPXPQBQG-TZMCWYRMSA-N 2 1 316.367 3.187 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246786977 1104675020 /nfs/dbraw/zinc/67/50/20/1104675020.db2.gz OQVWVIUDZDFNER-FUHWJXTLSA-N 2 1 300.446 3.205 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246788174 1104675108 /nfs/dbraw/zinc/67/51/08/1104675108.db2.gz NQKZIADYUFWNOT-ZTFGCOKTSA-N 2 1 322.880 3.462 20 0 DGADMP Clc1ccc(CO[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246787704 1104675315 /nfs/dbraw/zinc/67/53/15/1104675315.db2.gz LRRIXMIABIXIDW-MSOLQXFVSA-N 2 1 322.880 3.463 20 0 DGADMP CC[C@@H]1C[NH2+]CCN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246802619 1104682070 /nfs/dbraw/zinc/68/20/70/1104682070.db2.gz KQEGMKCBPXEWJC-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP CC1(C)C[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246810430 1104685318 /nfs/dbraw/zinc/68/53/18/1104685318.db2.gz MXPIFDOLLJXQNS-GOSISDBHSA-N 2 1 315.505 3.113 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246810991 1104685546 /nfs/dbraw/zinc/68/55/46/1104685546.db2.gz PMFNUSLJJJAXTA-FHWLQOOXSA-N 2 1 316.489 3.239 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)CCc2ccccc2OC)CC[NH2+]1 ZINC001246812577 1104686917 /nfs/dbraw/zinc/68/69/17/1104686917.db2.gz DSWNJKYHUITMCZ-ZWKOTPCHSA-N 2 1 304.478 3.480 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246814534 1104688387 /nfs/dbraw/zinc/68/83/87/1104688387.db2.gz QHMZVYXJPPVQMS-MSOLQXFVSA-N 2 1 304.478 3.480 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246814536 1104688402 /nfs/dbraw/zinc/68/84/02/1104688402.db2.gz QHMZVYXJPPVQMS-QZTJIDSGSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814162 1104688967 /nfs/dbraw/zinc/68/89/67/1104688967.db2.gz OBRYEVRTKYZJOW-TZMCWYRMSA-N 2 1 316.367 3.058 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC001246822448 1104691792 /nfs/dbraw/zinc/69/17/92/1104691792.db2.gz AXKHJSOBNYPFRG-SOAGJPPSSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820563 1104691964 /nfs/dbraw/zinc/69/19/64/1104691964.db2.gz HWYMOYHHHATFRQ-DUVNUKRYSA-N 2 1 323.278 3.379 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001246828545 1104694201 /nfs/dbraw/zinc/69/42/01/1104694201.db2.gz CBMPXVZBLNUKKM-JSGCOSHPSA-N 2 1 300.368 3.493 20 0 DGADMP COc1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1OC ZINC001275256148 1104694789 /nfs/dbraw/zinc/69/47/89/1104694789.db2.gz XZOOEPOPSJHNAS-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001246828547 1104694868 /nfs/dbraw/zinc/69/48/68/1104694868.db2.gz CBMPXVZBLNUKKM-OCCSQVGLSA-N 2 1 300.368 3.493 20 0 DGADMP Fc1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC001246828104 1104695191 /nfs/dbraw/zinc/69/51/91/1104695191.db2.gz WUYDRUFGAUQZAN-UHFFFAOYSA-N 2 1 302.437 3.496 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246833866 1104696368 /nfs/dbraw/zinc/69/63/68/1104696368.db2.gz QHYYIKSVBMVPDO-JSGCOSHPSA-N 2 1 311.267 3.193 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838963 1104698980 /nfs/dbraw/zinc/69/89/80/1104698980.db2.gz KVQIICRTGCNOOZ-IAGOWNOFSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838963 1104698989 /nfs/dbraw/zinc/69/89/89/1104698989.db2.gz KVQIICRTGCNOOZ-IAGOWNOFSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838965 1104699342 /nfs/dbraw/zinc/69/93/42/1104699342.db2.gz KVQIICRTGCNOOZ-IRXDYDNUSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246838965 1104699346 /nfs/dbraw/zinc/69/93/46/1104699346.db2.gz KVQIICRTGCNOOZ-IRXDYDNUSA-N 2 1 320.477 3.446 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246840121 1104700269 /nfs/dbraw/zinc/70/02/69/1104700269.db2.gz FFHGINPYMLZLKM-AQNXPRMDSA-N 2 1 316.489 3.444 20 0 DGADMP COc1cc(F)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001275275581 1104700996 /nfs/dbraw/zinc/70/09/96/1104700996.db2.gz LYHQKUZRSDAPPR-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246847855 1104704617 /nfs/dbraw/zinc/70/46/17/1104704617.db2.gz SXCCVXRHNLXLBX-JSGCOSHPSA-N 2 1 316.367 3.329 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246847632 1104705451 /nfs/dbraw/zinc/70/54/51/1104705451.db2.gz WGXXCKCWFHVOLO-QZTJIDSGSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246847632 1104705459 /nfs/dbraw/zinc/70/54/59/1104705459.db2.gz WGXXCKCWFHVOLO-QZTJIDSGSA-N 2 1 324.424 3.340 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246844917 1104705825 /nfs/dbraw/zinc/70/58/25/1104705825.db2.gz JKQHSISLVOPUNI-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246852076 1104707338 /nfs/dbraw/zinc/70/73/38/1104707338.db2.gz OXOSJZXPBWJRFO-DOTOQJQBSA-N 2 1 320.864 3.325 20 0 DGADMP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246854197 1104708524 /nfs/dbraw/zinc/70/85/24/1104708524.db2.gz NNGAMAMVTBNDSZ-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC001275291624 1104709648 /nfs/dbraw/zinc/70/96/48/1104709648.db2.gz QAWINZBPOFBDED-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC001275291624 1104709657 /nfs/dbraw/zinc/70/96/57/1104709657.db2.gz QAWINZBPOFBDED-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001275291624 1104709666 /nfs/dbraw/zinc/70/96/66/1104709666.db2.gz QAWINZBPOFBDED-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001246862436 1104710706 /nfs/dbraw/zinc/71/07/06/1104710706.db2.gz GRJICFVCEMTJJT-JSGCOSHPSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246862891 1104711432 /nfs/dbraw/zinc/71/14/32/1104711432.db2.gz SGUWSDYSQTZWJZ-IVMMDQJWSA-N 2 1 323.278 3.193 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865689 1104712078 /nfs/dbraw/zinc/71/20/78/1104712078.db2.gz WKJWIILNNVHYSD-RYUDHWBXSA-N 2 1 316.823 3.481 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865689 1104712087 /nfs/dbraw/zinc/71/20/87/1104712087.db2.gz WKJWIILNNVHYSD-RYUDHWBXSA-N 2 1 316.823 3.481 20 0 DGADMP CCOC(=O)[C@]1(C)CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246866187 1104713363 /nfs/dbraw/zinc/71/33/63/1104713363.db2.gz AVIFJACHHJXITE-SJLPKXTDSA-N 2 1 322.493 3.107 20 0 DGADMP Fc1ccc2c(c1)CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246879716 1104718235 /nfs/dbraw/zinc/71/82/35/1104718235.db2.gz GAKKVPKZTASLSH-UHFFFAOYSA-N 2 1 302.437 3.496 20 0 DGADMP CCC[N@H+]([C@@H](C)CC[NH2+]C)[C@@H](C)C(=O)Nc1ccccc1C ZINC001246879557 1104718376 /nfs/dbraw/zinc/71/83/76/1104718376.db2.gz BXCBYAMVPFKDJQ-HOTGVXAUSA-N 2 1 305.466 3.032 20 0 DGADMP CCC[N@@H+]([C@@H](C)CC[NH2+]C)[C@@H](C)C(=O)Nc1ccccc1C ZINC001246879557 1104718384 /nfs/dbraw/zinc/71/83/84/1104718384.db2.gz BXCBYAMVPFKDJQ-HOTGVXAUSA-N 2 1 305.466 3.032 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246878997 1104718866 /nfs/dbraw/zinc/71/88/66/1104718866.db2.gz UCBANRNTMADRLW-ZJRDLVKKSA-N 2 1 314.473 3.407 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246881275 1104719390 /nfs/dbraw/zinc/71/93/90/1104719390.db2.gz YZNQYQZBERSHDX-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)CC[NH2+]1 ZINC001246882839 1104721668 /nfs/dbraw/zinc/72/16/68/1104721668.db2.gz OODBZZHDIDFUAK-QRVBRYPASA-N 2 1 316.489 3.480 20 0 DGADMP c1csc([C@@H]2CNCC[N@H+]2C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246887058 1104724162 /nfs/dbraw/zinc/72/41/62/1104724162.db2.gz UBSLZOPBVFOYGU-INIZCTEOSA-N 2 1 319.518 3.007 20 0 DGADMP c1csc([C@@H]2C[NH2+]CCN2C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246887058 1104724166 /nfs/dbraw/zinc/72/41/66/1104724166.db2.gz UBSLZOPBVFOYGU-INIZCTEOSA-N 2 1 319.518 3.007 20 0 DGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001246895118 1104726805 /nfs/dbraw/zinc/72/68/05/1104726805.db2.gz RYJRMHLFYYVWFQ-INIZCTEOSA-N 2 1 308.853 3.108 20 0 DGADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ccc1Cl ZINC001275352823 1104734278 /nfs/dbraw/zinc/73/42/78/1104734278.db2.gz BNHKNFDMJZCROU-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918475 1104736737 /nfs/dbraw/zinc/73/67/37/1104736737.db2.gz FEDGJRKVKIWYJL-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H](Cc1ccncc1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918475 1104736743 /nfs/dbraw/zinc/73/67/43/1104736743.db2.gz FEDGJRKVKIWYJL-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246918075 1104737715 /nfs/dbraw/zinc/73/77/15/1104737715.db2.gz UPZCSDPFGVFBKO-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246922930 1104738052 /nfs/dbraw/zinc/73/80/52/1104738052.db2.gz MQZVETUIASCCTP-AZUAARDMSA-N 2 1 316.489 3.482 20 0 DGADMP C[C@@H]1C[C@H](N(C)[C@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246923451 1104738500 /nfs/dbraw/zinc/73/85/00/1104738500.db2.gz XEFXXFPTNPEHLC-LMCOJAPRSA-N 2 1 315.505 3.241 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246930099 1104741578 /nfs/dbraw/zinc/74/15/78/1104741578.db2.gz PVGHCEQELCKUHU-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP COCC[N@H+]([C@H]1CCC[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246930223 1104741828 /nfs/dbraw/zinc/74/18/28/1104741828.db2.gz SVBKOZCSSVUPNT-AABGKKOBSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@@H+]([C@H]1CCC[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246930223 1104741834 /nfs/dbraw/zinc/74/18/34/1104741834.db2.gz SVBKOZCSSVUPNT-AABGKKOBSA-N 2 1 316.489 3.413 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933639 1104742925 /nfs/dbraw/zinc/74/29/25/1104742925.db2.gz HXZJRQDPEORDNG-GUDVDZBRSA-N 2 1 320.452 3.337 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933639 1104742930 /nfs/dbraw/zinc/74/29/30/1104742930.db2.gz HXZJRQDPEORDNG-GUDVDZBRSA-N 2 1 320.452 3.337 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934201 1104742941 /nfs/dbraw/zinc/74/29/41/1104742941.db2.gz AEHKHKDXCZXGEN-GOSISDBHSA-N 3 1 321.553 3.351 20 0 DGADMP CC(C)C[NH+]1CCC(N(C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934201 1104742947 /nfs/dbraw/zinc/74/29/47/1104742947.db2.gz AEHKHKDXCZXGEN-GOSISDBHSA-N 2 1 321.553 3.351 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935440 1104743551 /nfs/dbraw/zinc/74/35/51/1104743551.db2.gz FAVLDHYULPJKSH-WDSOQIARSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[C@@H]1C[C@@H](N(C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935440 1104743556 /nfs/dbraw/zinc/74/35/56/1104743556.db2.gz FAVLDHYULPJKSH-WDSOQIARSA-N 2 1 307.526 3.007 20 0 DGADMP CCC1CCC(C2CCC([N@@H+]3C[C@@H]([NH3+])C[C@@H]3CO)CC2)CC1 ZINC001246937206 1104744577 /nfs/dbraw/zinc/74/45/77/1104744577.db2.gz HRQVDZNQPDLOFZ-GJPKXRQBSA-N 2 1 308.510 3.156 20 0 DGADMP CCC1CCC(C2CCC([N@H+]3C[C@@H]([NH3+])C[C@@H]3CO)CC2)CC1 ZINC001246937206 1104744582 /nfs/dbraw/zinc/74/45/82/1104744582.db2.gz HRQVDZNQPDLOFZ-GJPKXRQBSA-N 2 1 308.510 3.156 20 0 DGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246943576 1104747593 /nfs/dbraw/zinc/74/75/93/1104747593.db2.gz MJOXKJGMUWMEOS-IRXDYDNUSA-N 2 1 302.487 3.288 20 0 DGADMP Clc1ccc(C[N@@H+]([C@@H]2CCSC2)C2CC[NH2+]CC2)cc1 ZINC001246947694 1104747938 /nfs/dbraw/zinc/74/79/38/1104747938.db2.gz WXKMYIUGDJPLAO-MRXNPFEDSA-N 2 1 310.894 3.400 20 0 DGADMP C1CC2(C[C@@H]1[N@H+]1CCOC[C@H]1C1CCCCC1)CC[NH2+]CC2 ZINC001246947376 1104749018 /nfs/dbraw/zinc/74/90/18/1104749018.db2.gz XHFAZHTYELYSKL-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)(C)C[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246951326 1104749319 /nfs/dbraw/zinc/74/93/19/1104749319.db2.gz UHZPDEAFEZVVHT-SJORKVTESA-N 3 1 309.542 3.253 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246951326 1104749325 /nfs/dbraw/zinc/74/93/25/1104749325.db2.gz UHZPDEAFEZVVHT-SJORKVTESA-N 3 1 309.542 3.253 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]([C@@H]2CCSC2)C2CC[NH2+]CC2)c1 ZINC001246951985 1104751193 /nfs/dbraw/zinc/75/11/93/1104751193.db2.gz PDVDFDFZYGKPCA-QGZVFWFLSA-N 2 1 308.466 3.194 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246964815 1104753875 /nfs/dbraw/zinc/75/38/75/1104753875.db2.gz FNCWGKSFCZEXCO-JFIYKMOQSA-N 2 1 317.477 3.152 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001275426896 1104756271 /nfs/dbraw/zinc/75/62/71/1104756271.db2.gz DJQIQZFDBACRFR-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001275426896 1104756278 /nfs/dbraw/zinc/75/62/78/1104756278.db2.gz DJQIQZFDBACRFR-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001275426896 1104756282 /nfs/dbraw/zinc/75/62/82/1104756282.db2.gz DJQIQZFDBACRFR-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972672 1104756823 /nfs/dbraw/zinc/75/68/23/1104756823.db2.gz LJYATGMBNRYSOP-CXAGYDPISA-N 2 1 320.427 3.286 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccncc3C)C2)CC[NH2+]1 ZINC001246974040 1104756901 /nfs/dbraw/zinc/75/69/01/1104756901.db2.gz POJNWXNYWQUORS-KZNAEPCWSA-N 2 1 317.477 3.154 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246978039 1104760320 /nfs/dbraw/zinc/76/03/20/1104760320.db2.gz RWDSQVDFADBWKG-SFHVURJKSA-N 2 1 304.865 3.414 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(-n4ccnc4)c3)CC2)C1 ZINC001275443654 1104761350 /nfs/dbraw/zinc/76/13/50/1104761350.db2.gz DYVXOWPYUQQVGG-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246982531 1104762542 /nfs/dbraw/zinc/76/25/42/1104762542.db2.gz XPFXTASFWKQZMR-HAGHYFMRSA-N 2 1 315.505 3.241 20 0 DGADMP Cc1ccc2cc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)ccc2n1 ZINC001275456681 1104764594 /nfs/dbraw/zinc/76/45/94/1104764594.db2.gz HTSOJCSLWZHDIK-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)ccc2n1 ZINC001275456681 1104764599 /nfs/dbraw/zinc/76/45/99/1104764599.db2.gz HTSOJCSLWZHDIK-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)ccc2n1 ZINC001275456681 1104764602 /nfs/dbraw/zinc/76/46/02/1104764602.db2.gz HTSOJCSLWZHDIK-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246997442 1104768886 /nfs/dbraw/zinc/76/88/86/1104768886.db2.gz VPGYJBKAXQYFSW-IAGOWNOFSA-N 2 1 316.445 3.141 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc3cccnc3cc1F)C2 ZINC001275470674 1104769138 /nfs/dbraw/zinc/76/91/38/1104769138.db2.gz IUMPPYNRYDHBTL-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC001246998095 1104770146 /nfs/dbraw/zinc/77/01/46/1104770146.db2.gz DTPSARQRUAKOEN-KURKYZTESA-N 2 1 302.462 3.233 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001247001169 1104771558 /nfs/dbraw/zinc/77/15/58/1104771558.db2.gz JNZLELHKVACKFI-UYHMYPTGSA-N 2 1 323.278 3.440 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003047 1104772846 /nfs/dbraw/zinc/77/28/46/1104772846.db2.gz MPZGTTMAQKYXLW-ZAUVIXRXSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003047 1104772851 /nfs/dbraw/zinc/77/28/51/1104772851.db2.gz MPZGTTMAQKYXLW-ZAUVIXRXSA-N 2 1 305.853 3.064 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2C2CCC3(C[NH2+]C3)CC2)cc1 ZINC001247008030 1104773808 /nfs/dbraw/zinc/77/38/08/1104773808.db2.gz XSKFBIFUBCZABU-SFHVURJKSA-N 2 1 302.437 3.365 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006880 1104774453 /nfs/dbraw/zinc/77/44/53/1104774453.db2.gz WCAHILGPOMBCJH-KRWDZBQOSA-N 2 1 316.489 3.327 20 0 DGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247006315 1104774464 /nfs/dbraw/zinc/77/44/64/1104774464.db2.gz IMZJLGVLAUYUKT-BBWFWOEESA-N 2 1 324.509 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)C[C@H](C)[NH2+]1 ZINC001247006612 1104774772 /nfs/dbraw/zinc/77/47/72/1104774772.db2.gz VGAVTRILPUKRIZ-GYJQIRMQSA-N 2 1 319.880 3.452 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)C[C@H](C)[NH2+]1 ZINC001247006612 1104774773 /nfs/dbraw/zinc/77/47/73/1104774773.db2.gz VGAVTRILPUKRIZ-GYJQIRMQSA-N 2 1 319.880 3.452 20 0 DGADMP c1ccc(OC2CCC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247014533 1104778128 /nfs/dbraw/zinc/77/81/28/1104778128.db2.gz KQDFGBZOVBZGFX-OQUMVOOASA-N 2 1 314.473 3.451 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247014533 1104778135 /nfs/dbraw/zinc/77/81/35/1104778135.db2.gz KQDFGBZOVBZGFX-OQUMVOOASA-N 2 1 314.473 3.451 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(F)c3Cl)C[C@H]2CC1 ZINC001275593629 1104824303 /nfs/dbraw/zinc/82/43/03/1104824303.db2.gz LIEZVMRQCFUNHO-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3Cl)C[C@H]2CC1 ZINC001275593629 1104824308 /nfs/dbraw/zinc/82/43/08/1104824308.db2.gz LIEZVMRQCFUNHO-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3Cl)C[C@H]2CC1 ZINC001275593629 1104824317 /nfs/dbraw/zinc/82/43/17/1104824317.db2.gz LIEZVMRQCFUNHO-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3[nH]cnc3C(C)(C)C)CC2)C1 ZINC001275746235 1104891890 /nfs/dbraw/zinc/89/18/90/1104891890.db2.gz YTPQMEQGUOIXES-UHFFFAOYSA-N 2 1 304.482 3.015 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccccn2)c1 ZINC001275785456 1104907303 /nfs/dbraw/zinc/90/73/03/1104907303.db2.gz UEDNELCDXOOPCC-YQQQUEKLSA-N 2 1 307.441 3.463 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1C ZINC001275823091 1104922784 /nfs/dbraw/zinc/92/27/84/1104922784.db2.gz WQZSWSWRSZHELR-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1C ZINC001275823091 1104922787 /nfs/dbraw/zinc/92/27/87/1104922787.db2.gz WQZSWSWRSZHELR-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1C ZINC001275823091 1104922791 /nfs/dbraw/zinc/92/27/91/1104922791.db2.gz WQZSWSWRSZHELR-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1C ZINC001275823091 1104922795 /nfs/dbraw/zinc/92/27/95/1104922795.db2.gz WQZSWSWRSZHELR-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Br)cc1)CC2 ZINC001275828605 1104923885 /nfs/dbraw/zinc/92/38/85/1104923885.db2.gz CDYZKQNDNGJLTG-UHFFFAOYSA-N 2 1 323.278 3.367 20 0 DGADMP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](Cc2ccsc2)CC3)c1 ZINC001275866244 1104937734 /nfs/dbraw/zinc/93/77/34/1104937734.db2.gz MBZLZDWGGXBONT-UHFFFAOYSA-N 2 1 301.459 3.174 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001247693700 1104957911 /nfs/dbraw/zinc/95/79/11/1104957911.db2.gz RXJIXXLMAJHSGR-JTQLQIEISA-N 2 1 315.204 3.172 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]1C ZINC001276033136 1104992523 /nfs/dbraw/zinc/99/25/23/1104992523.db2.gz QXPHKUZAAHGRSO-ZNTOARSRSA-N 2 1 305.491 3.193 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@H]1C ZINC001276033136 1104992529 /nfs/dbraw/zinc/99/25/29/1104992529.db2.gz QXPHKUZAAHGRSO-ZNTOARSRSA-N 2 1 305.491 3.193 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001276127234 1105024198 /nfs/dbraw/zinc/02/41/98/1105024198.db2.gz BJOFSTJEKGUMNI-CALCHBBNSA-N 2 1 310.445 3.154 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001276127234 1105024201 /nfs/dbraw/zinc/02/42/01/1105024201.db2.gz BJOFSTJEKGUMNI-CALCHBBNSA-N 2 1 310.445 3.154 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C(C)=O)c2ccccc12 ZINC001276154939 1105032409 /nfs/dbraw/zinc/03/24/09/1105032409.db2.gz MUMAGGCQDACINX-ALOPSCKCSA-N 2 1 311.429 3.016 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C(C)=O)c2ccccc12 ZINC001276154939 1105032413 /nfs/dbraw/zinc/03/24/13/1105032413.db2.gz MUMAGGCQDACINX-ALOPSCKCSA-N 2 1 311.429 3.016 20 0 DGADMP Cc1ccncc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276197292 1105045066 /nfs/dbraw/zinc/04/50/66/1105045066.db2.gz HZDXGKZTFUHSLP-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000719951443 1105045267 /nfs/dbraw/zinc/04/52/67/1105045267.db2.gz AJLNBIHLXQZDCZ-SLFFLAALSA-N 2 1 315.505 3.243 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH]cnc1C ZINC001276207085 1105048032 /nfs/dbraw/zinc/04/80/32/1105048032.db2.gz REDLHMHWVJMONI-YESZJQIVSA-N 2 1 304.482 3.193 20 0 DGADMP CCCCc1nc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c[nH]1 ZINC001276215651 1105050784 /nfs/dbraw/zinc/05/07/84/1105050784.db2.gz NKIFZWZZZRZPNP-UHFFFAOYSA-N 2 1 304.482 3.060 20 0 DGADMP Cc1cc(F)c(F)cc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248194985 1105066314 /nfs/dbraw/zinc/06/63/14/1105066314.db2.gz QQGWPIYUGIGPDG-AWEZNQCLSA-N 2 1 324.375 3.055 20 0 DGADMP Cc1c[nH+]c(Nc2ccc(OCCC[NH+](C)C)cc2)c(N)c1 ZINC001248407835 1105110417 /nfs/dbraw/zinc/11/04/17/1105110417.db2.gz HMNUMVKURKNHMU-UHFFFAOYSA-N 2 1 300.406 3.046 20 0 DGADMP Cc1noc2ccc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)cc12 ZINC001248712019 1105149500 /nfs/dbraw/zinc/14/95/00/1105149500.db2.gz FMAXQNNADAHNHM-UHFFFAOYSA-N 2 1 322.412 3.162 20 0 DGADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2ccc3ccccc3c2)no1 ZINC001248896630 1105188862 /nfs/dbraw/zinc/18/88/62/1105188862.db2.gz ROPLSISVRURYSF-KRWDZBQOSA-N 2 1 322.412 3.279 20 0 DGADMP Cc1cc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)ccc1Cl ZINC001248897439 1105189034 /nfs/dbraw/zinc/18/90/34/1105189034.db2.gz YOYHJFOHBCTNDS-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cc(C(C)(C)C)c[nH]3)CC2)cc[nH+]1 ZINC001249480116 1105296230 /nfs/dbraw/zinc/29/62/30/1105296230.db2.gz GNLUQOFXRQYUGT-UHFFFAOYSA-N 2 1 312.461 3.338 20 0 DGADMP C[NH+](C)CCc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001249592510 1105327016 /nfs/dbraw/zinc/32/70/16/1105327016.db2.gz FKRSNDLETDKRMJ-UHFFFAOYSA-N 2 1 309.335 3.370 20 0 DGADMP CCOc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001250014513 1105427489 /nfs/dbraw/zinc/42/74/89/1105427489.db2.gz LGGIIYYPICJGJN-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001250014513 1105427493 /nfs/dbraw/zinc/42/74/93/1105427493.db2.gz LGGIIYYPICJGJN-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)ccn1 ZINC001250014513 1105427496 /nfs/dbraw/zinc/42/74/96/1105427496.db2.gz LGGIIYYPICJGJN-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)ccn1 ZINC001250014513 1105427498 /nfs/dbraw/zinc/42/74/98/1105427498.db2.gz LGGIIYYPICJGJN-ZWKOTPCHSA-N 2 1 317.477 3.319 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)ccc1Br ZINC001254508312 1105443496 /nfs/dbraw/zinc/44/34/96/1105443496.db2.gz QPIAFTFAQYPOIV-CQSZACIVSA-N 2 1 311.267 3.331 20 0 DGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+](C2CCSCC2)CC1 ZINC001255085818 1105492372 /nfs/dbraw/zinc/49/23/72/1105492372.db2.gz RJMFKTGXPVUJSG-UHFFFAOYSA-N 2 1 310.894 3.485 20 0 DGADMP C[N@H+]1CCC[C@@H](n2cc(C[NH3+])c3ccc(Br)cc32)C1 ZINC001255474435 1105550800 /nfs/dbraw/zinc/55/08/00/1105550800.db2.gz FKSLMGVISIBGPZ-CYBMUJFWSA-N 2 1 322.250 3.129 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)nc1 ZINC001255944202 1105689674 /nfs/dbraw/zinc/68/96/74/1105689674.db2.gz SXALETDNGZNPGQ-GFCCVEGCSA-N 2 1 303.372 3.310 20 0 DGADMP O[C@H](C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001251988133 1105720170 /nfs/dbraw/zinc/72/01/70/1105720170.db2.gz IBUHJIGBXUGFIH-RBUKOAKNSA-N 2 1 302.462 3.060 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252790097 1105831906 /nfs/dbraw/zinc/83/19/06/1105831906.db2.gz UEDORRKBXWWLTP-GOSISDBHSA-N 2 1 324.896 3.397 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252790097 1105831912 /nfs/dbraw/zinc/83/19/12/1105831912.db2.gz UEDORRKBXWWLTP-GOSISDBHSA-N 2 1 324.896 3.397 20 0 DGADMP CCCC[N@H+](CCC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929557 1105856582 /nfs/dbraw/zinc/85/65/82/1105856582.db2.gz UDFPTHJQPOLDHW-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP CCCC[N@@H+](CCC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929557 1105856586 /nfs/dbraw/zinc/85/65/86/1105856586.db2.gz UDFPTHJQPOLDHW-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP CCCC[NH+](CCC)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252929557 1105856591 /nfs/dbraw/zinc/85/65/91/1105856591.db2.gz UDFPTHJQPOLDHW-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP CCCC[NH+](CCC)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929557 1105856596 /nfs/dbraw/zinc/85/65/96/1105856596.db2.gz UDFPTHJQPOLDHW-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP O[C@@]1(C[NH+]2C3CCCC2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001252934928 1105857293 /nfs/dbraw/zinc/85/72/93/1105857293.db2.gz WONNSUUOLJSPQR-MHJFOBGBSA-N 2 1 314.473 3.030 20 0 DGADMP O[C@@]1(C[NH+]2C3CCCC2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001252934928 1105857298 /nfs/dbraw/zinc/85/72/98/1105857298.db2.gz WONNSUUOLJSPQR-MHJFOBGBSA-N 2 1 314.473 3.030 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001253207983 1105903909 /nfs/dbraw/zinc/90/39/09/1105903909.db2.gz MFSFKCNHUOBEGI-SJORKVTESA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001253391424 1105934006 /nfs/dbraw/zinc/93/40/06/1105934006.db2.gz MBOXKBLJNASPTI-LJQANCHMSA-N 2 1 318.505 3.080 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC001253405543 1105935620 /nfs/dbraw/zinc/93/56/20/1105935620.db2.gz FYPLJGCJXQSQSE-JQWIXIFHSA-N 2 1 319.276 3.393 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253723642 1105974465 /nfs/dbraw/zinc/97/44/65/1105974465.db2.gz CFAOBMBVWOXUKD-LJQANCHMSA-N 2 1 318.505 3.380 20 0 DGADMP CCCCC[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254029745 1106011315 /nfs/dbraw/zinc/01/13/15/1106011315.db2.gz MXCFUMUIBZCJHX-UHFFFAOYSA-N 2 1 304.478 3.136 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCCOC2)CC1 ZINC001254372765 1106062162 /nfs/dbraw/zinc/06/21/62/1106062162.db2.gz YNTXKEWDHBYDCB-BZSNNMDCSA-N 2 1 306.425 3.077 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254381872 1106063269 /nfs/dbraw/zinc/06/32/69/1106063269.db2.gz YHNYMIKKPGIHLA-SJLPKXTDSA-N 2 1 318.461 3.135 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+]([C@H]2CCCOC2)C3)cc1 ZINC001254389176 1106064552 /nfs/dbraw/zinc/06/45/52/1106064552.db2.gz OHTINIWCJWXKRZ-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+]([C@H]2CCCOC2)C3)cc1 ZINC001254389176 1106064556 /nfs/dbraw/zinc/06/45/56/1106064556.db2.gz OHTINIWCJWXKRZ-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+]([C@H]2CCCOC2)C3)cc1 ZINC001254389176 1106064561 /nfs/dbraw/zinc/06/45/61/1106064561.db2.gz OHTINIWCJWXKRZ-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC001254497534 1106082038 /nfs/dbraw/zinc/08/20/38/1106082038.db2.gz LGIWCWJGHDAAOO-GFCCVEGCSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H](NCc2cccc(Br)c2F)CC1 ZINC001254498323 1106082177 /nfs/dbraw/zinc/08/21/77/1106082177.db2.gz VSBGSWIMWDYJNF-GFCCVEGCSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)CC1 ZINC001254498323 1106082184 /nfs/dbraw/zinc/08/21/84/1106082184.db2.gz VSBGSWIMWDYJNF-GFCCVEGCSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)CC1 ZINC001254498323 1106082190 /nfs/dbraw/zinc/08/21/90/1106082190.db2.gz VSBGSWIMWDYJNF-GFCCVEGCSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H](n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001254501024 1106083170 /nfs/dbraw/zinc/08/31/70/1106083170.db2.gz OZHXETQDBIJGJK-OAHLLOKOSA-N 2 1 305.853 3.453 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1C(F)(F)F ZINC001254502600 1106084580 /nfs/dbraw/zinc/08/45/80/1106084580.db2.gz GYNNBKGTHGTEJK-ZDUSSCGKSA-N 2 1 316.367 3.288 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](CCO)c2cccc3ccccc32)CC1 ZINC001254505228 1106085310 /nfs/dbraw/zinc/08/53/10/1106085310.db2.gz CWYVFMFFNUTUHH-PXNSSMCTSA-N 2 1 312.457 3.337 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510964 1106086761 /nfs/dbraw/zinc/08/67/61/1106086761.db2.gz SJHGTAXYWVZKKN-VAMGGRTRSA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510964 1106086767 /nfs/dbraw/zinc/08/67/67/1106086767.db2.gz SJHGTAXYWVZKKN-VAMGGRTRSA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510964 1106086769 /nfs/dbraw/zinc/08/67/69/1106086769.db2.gz SJHGTAXYWVZKKN-VAMGGRTRSA-N 3 1 315.505 3.243 20 0 DGADMP CN1CCC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510964 1106086775 /nfs/dbraw/zinc/08/67/75/1106086775.db2.gz SJHGTAXYWVZKKN-VAMGGRTRSA-N 2 1 315.505 3.243 20 0 DGADMP CN1CCC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510964 1106086779 /nfs/dbraw/zinc/08/67/79/1106086779.db2.gz SJHGTAXYWVZKKN-VAMGGRTRSA-N 2 1 315.505 3.243 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC001254509092 1106086951 /nfs/dbraw/zinc/08/69/51/1106086951.db2.gz VYGDHCYFEVTAPY-SFHVURJKSA-N 2 1 301.478 3.251 20 0 DGADMP COc1ccc2cccc(CC[NH2+][C@@H]3CCC[N@@H+](C)CC3)c2c1 ZINC001254509323 1106087078 /nfs/dbraw/zinc/08/70/78/1106087078.db2.gz YVUOAUXNTYVAIA-GOSISDBHSA-N 2 1 312.457 3.465 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccccc3)CCOCC2)CC1 ZINC001254511193 1106087250 /nfs/dbraw/zinc/08/72/50/1106087250.db2.gz XBPBRSKVWRNDMG-IBGZPJMESA-N 2 1 316.489 3.100 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001254511687 1106087392 /nfs/dbraw/zinc/08/73/92/1106087392.db2.gz CKEGRKYENUWKNR-QGZVFWFLSA-N 2 1 311.429 3.448 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254522881 1106091075 /nfs/dbraw/zinc/09/10/75/1106091075.db2.gz KGSLCEVQRSIYMM-LPHOPBHVSA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254522881 1106091081 /nfs/dbraw/zinc/09/10/81/1106091081.db2.gz KGSLCEVQRSIYMM-LPHOPBHVSA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254522881 1106091087 /nfs/dbraw/zinc/09/10/87/1106091087.db2.gz KGSLCEVQRSIYMM-LPHOPBHVSA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517264 1106091448 /nfs/dbraw/zinc/09/14/48/1106091448.db2.gz SSFUVYJKCFMAJQ-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517264 1106091457 /nfs/dbraw/zinc/09/14/57/1106091457.db2.gz SSFUVYJKCFMAJQ-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254517264 1106091465 /nfs/dbraw/zinc/09/14/65/1106091465.db2.gz SSFUVYJKCFMAJQ-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517264 1106091472 /nfs/dbraw/zinc/09/14/72/1106091472.db2.gz SSFUVYJKCFMAJQ-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccccc1C1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254526284 1106092054 /nfs/dbraw/zinc/09/20/54/1106092054.db2.gz QDEQUDYNYIPZAP-QGZVFWFLSA-N 2 1 302.462 3.359 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001254525710 1106092376 /nfs/dbraw/zinc/09/23/76/1106092376.db2.gz LAZJYBLHKHKKJJ-SFHVURJKSA-N 2 1 314.473 3.035 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1OC ZINC001254523656 1106093484 /nfs/dbraw/zinc/09/34/84/1106093484.db2.gz QTMDPAMYQGLGTB-DLBZAZTESA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1OC ZINC001254523656 1106093487 /nfs/dbraw/zinc/09/34/87/1106093487.db2.gz QTMDPAMYQGLGTB-DLBZAZTESA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1OC ZINC001254523656 1106093491 /nfs/dbraw/zinc/09/34/91/1106093491.db2.gz QTMDPAMYQGLGTB-DLBZAZTESA-N 2 1 318.461 3.325 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@H+](C)CC2)n1 ZINC001254528910 1106094166 /nfs/dbraw/zinc/09/41/66/1106094166.db2.gz JHSADPOHRRYXQS-WMZOPIPTSA-N 2 1 312.461 3.391 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@@H+](C)CC2)n1 ZINC001254528910 1106094172 /nfs/dbraw/zinc/09/41/72/1106094172.db2.gz JHSADPOHRRYXQS-WMZOPIPTSA-N 2 1 312.461 3.391 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CCC[NH+](C)CC1 ZINC001254533534 1106096121 /nfs/dbraw/zinc/09/61/21/1106096121.db2.gz MBLVLBAOWHZGLH-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@H]1CCC[N@H+](C)CC1 ZINC001254533534 1106096124 /nfs/dbraw/zinc/09/61/24/1106096124.db2.gz MBLVLBAOWHZGLH-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@H]1CCC[N@@H+](C)CC1 ZINC001254533534 1106096129 /nfs/dbraw/zinc/09/61/29/1106096129.db2.gz MBLVLBAOWHZGLH-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254865076 1106150956 /nfs/dbraw/zinc/15/09/56/1106150956.db2.gz WQMUNDLSGVDYOQ-LPHOPBHVSA-N 2 1 324.472 3.391 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254938582 1106157534 /nfs/dbraw/zinc/15/75/34/1106157534.db2.gz HPDNFLFGNOUJQN-XABIJQAGSA-N 2 1 306.494 3.362 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254956944 1106159694 /nfs/dbraw/zinc/15/96/94/1106159694.db2.gz QGRDPSGYRAUAAB-NCOADZHNSA-N 2 1 304.478 3.083 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254956944 1106159698 /nfs/dbraw/zinc/15/96/98/1106159698.db2.gz QGRDPSGYRAUAAB-NCOADZHNSA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254956944 1106159703 /nfs/dbraw/zinc/15/97/03/1106159703.db2.gz QGRDPSGYRAUAAB-NCOADZHNSA-N 2 1 304.478 3.083 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254956944 1106159708 /nfs/dbraw/zinc/15/97/08/1106159708.db2.gz QGRDPSGYRAUAAB-NCOADZHNSA-N 2 1 304.478 3.083 20 0 DGADMP C[N@H+]([C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254964069 1106161943 /nfs/dbraw/zinc/16/19/43/1106161943.db2.gz QOFFISDGUIQKET-MNZLEMJZSA-N 2 1 318.505 3.473 20 0 DGADMP C[N@@H+]([C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254964069 1106161949 /nfs/dbraw/zinc/16/19/49/1106161949.db2.gz QOFFISDGUIQKET-MNZLEMJZSA-N 2 1 318.505 3.473 20 0 DGADMP [NH3+][C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001255102829 1106179867 /nfs/dbraw/zinc/17/98/67/1106179867.db2.gz OOGYICDBPOOAGU-PKOBYXMFSA-N 2 1 307.441 3.171 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127141 1106185045 /nfs/dbraw/zinc/18/50/45/1106185045.db2.gz RCBPVYCIMSUBBT-MVJPYGJCSA-N 2 1 322.456 3.323 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127141 1106185047 /nfs/dbraw/zinc/18/50/47/1106185047.db2.gz RCBPVYCIMSUBBT-MVJPYGJCSA-N 2 1 322.456 3.323 20 0 DGADMP CC(C)([NH3+])C(C)(C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128345 1106185109 /nfs/dbraw/zinc/18/51/09/1106185109.db2.gz BOZIRNWSGUDREK-NNZMDNLPSA-N 2 1 315.505 3.288 20 0 DGADMP CC(C)(O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128642 1106186368 /nfs/dbraw/zinc/18/63/68/1106186368.db2.gz FVHXIMWFKDYFOR-REPLKXPHSA-N 2 1 316.489 3.323 20 0 DGADMP c1nocc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130823 1106186424 /nfs/dbraw/zinc/18/64/24/1106186424.db2.gz BEKVURBYZHLAFI-LDLYASANSA-N 2 1 311.429 3.002 20 0 DGADMP Oc1cccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129201 1106186453 /nfs/dbraw/zinc/18/64/53/1106186453.db2.gz VRWVTTIETCWDLM-NNZMDNLPSA-N 2 1 323.440 3.072 20 0 DGADMP Oc1cccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129201 1106186454 /nfs/dbraw/zinc/18/64/54/1106186454.db2.gz VRWVTTIETCWDLM-NNZMDNLPSA-N 2 1 323.440 3.072 20 0 DGADMP COC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135399 1106186622 /nfs/dbraw/zinc/18/66/22/1106186622.db2.gz AUUBEJSUJIDOMG-BWTSREIZSA-N 2 1 314.473 3.293 20 0 DGADMP [NH3+]CCCc1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137631 1106187355 /nfs/dbraw/zinc/18/73/55/1106187355.db2.gz ZGDZLMWNWOBHCC-REPLKXPHSA-N 2 1 324.472 3.143 20 0 DGADMP CCOC(=O)C1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001255249297 1106210471 /nfs/dbraw/zinc/21/04/71/1106210471.db2.gz KGCWENLJCOOSEE-OQSMONGASA-N 2 1 324.509 3.066 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCSC2)CC1 ZINC001255275695 1106214110 /nfs/dbraw/zinc/21/41/10/1106214110.db2.gz MRFKIYHNNXOFRT-ULQDDVLXSA-N 2 1 308.466 3.403 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001255367359 1106232359 /nfs/dbraw/zinc/23/23/59/1106232359.db2.gz MJECHYKYMZWHJR-QZTJIDSGSA-N 2 1 324.509 3.161 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCc3ccccn3)CC2)cc1 ZINC001255375209 1106235167 /nfs/dbraw/zinc/23/51/67/1106235167.db2.gz DZAIANWVNMSLSW-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CCOCC3)CC2)cc1 ZINC001255380214 1106236475 /nfs/dbraw/zinc/23/64/75/1106236475.db2.gz IYHAOOOPWAFJSR-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382045 1106237099 /nfs/dbraw/zinc/23/70/99/1106237099.db2.gz BAFIRMOSEPAMDL-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255390012 1106239240 /nfs/dbraw/zinc/23/92/40/1106239240.db2.gz WNNXKUSUXBPTIH-QZTJIDSGSA-N 2 1 300.446 3.142 20 0 DGADMP O=C1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390012 1106239243 /nfs/dbraw/zinc/23/92/43/1106239243.db2.gz WNNXKUSUXBPTIH-QZTJIDSGSA-N 2 1 300.446 3.142 20 0 DGADMP O[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255389680 1106239523 /nfs/dbraw/zinc/23/95/23/1106239523.db2.gz PZWTYKILLDLTRD-SLFFLAALSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)O1 ZINC001255388253 1106239587 /nfs/dbraw/zinc/23/95/87/1106239587.db2.gz XQLUKIGPPLMODJ-MSOLQXFVSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1C ZINC001255388405 1106239680 /nfs/dbraw/zinc/23/96/80/1106239680.db2.gz ZCQUHAIHLWVDLO-IBGZPJMESA-N 2 1 311.473 3.478 20 0 DGADMP [NH3+]CCCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255395762 1106240209 /nfs/dbraw/zinc/24/02/09/1106240209.db2.gz CSXVOFXYFMCMAU-GOSISDBHSA-N 2 1 312.461 3.002 20 0 DGADMP OC[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397409 1106241756 /nfs/dbraw/zinc/24/17/56/1106241756.db2.gz GGDUJQLEPAWCMA-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397409 1106241758 /nfs/dbraw/zinc/24/17/58/1106241758.db2.gz GGDUJQLEPAWCMA-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397409 1106241759 /nfs/dbraw/zinc/24/17/59/1106241759.db2.gz GGDUJQLEPAWCMA-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001255399479 1106242584 /nfs/dbraw/zinc/24/25/84/1106242584.db2.gz SNZVHXVWJYQACN-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001255399479 1106242586 /nfs/dbraw/zinc/24/25/86/1106242586.db2.gz SNZVHXVWJYQACN-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001255399479 1106242589 /nfs/dbraw/zinc/24/25/89/1106242589.db2.gz SNZVHXVWJYQACN-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001255399477 1106242616 /nfs/dbraw/zinc/24/26/16/1106242616.db2.gz SNZVHXVWJYQACN-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001255399477 1106242619 /nfs/dbraw/zinc/24/26/19/1106242619.db2.gz SNZVHXVWJYQACN-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001255399477 1106242621 /nfs/dbraw/zinc/24/26/21/1106242621.db2.gz SNZVHXVWJYQACN-PMACEKPBSA-N 2 1 314.473 3.296 20 0 DGADMP C[C@H]1COCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398290 1106242814 /nfs/dbraw/zinc/24/28/14/1106242814.db2.gz JLZPKYHFEDRWSE-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1COCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398290 1106242815 /nfs/dbraw/zinc/24/28/15/1106242815.db2.gz JLZPKYHFEDRWSE-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1COCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398290 1106242818 /nfs/dbraw/zinc/24/28/18/1106242818.db2.gz JLZPKYHFEDRWSE-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3C[C@@]34CCCOC4)CC2)cc1 ZINC001255399024 1106242939 /nfs/dbraw/zinc/24/29/39/1106242939.db2.gz YKKWEMPXGHLCND-SLFFLAALSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001255399253 1106243709 /nfs/dbraw/zinc/24/37/09/1106243709.db2.gz PNOHZTIJKHSFKL-IEBWSBKVSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399253 1106243712 /nfs/dbraw/zinc/24/37/12/1106243712.db2.gz PNOHZTIJKHSFKL-IEBWSBKVSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCO1 ZINC001255399253 1106243716 /nfs/dbraw/zinc/24/37/16/1106243716.db2.gz PNOHZTIJKHSFKL-IEBWSBKVSA-N 2 1 302.462 3.152 20 0 DGADMP COCC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399585 1106244769 /nfs/dbraw/zinc/24/47/69/1106244769.db2.gz VNRFOGMKPBPRFP-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001255406474 1106246502 /nfs/dbraw/zinc/24/65/02/1106246502.db2.gz SONKURISOQBIGK-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001255406474 1106246504 /nfs/dbraw/zinc/24/65/04/1106246504.db2.gz SONKURISOQBIGK-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001255406474 1106246508 /nfs/dbraw/zinc/24/65/08/1106246508.db2.gz SONKURISOQBIGK-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP CC(=O)C1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255406976 1106246657 /nfs/dbraw/zinc/24/66/57/1106246657.db2.gz VFAIEUXXFLEKAW-FQEVSTJZSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)C1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406976 1106246660 /nfs/dbraw/zinc/24/66/60/1106246660.db2.gz VFAIEUXXFLEKAW-FQEVSTJZSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCCC34COC4)CC2)cc1 ZINC001255406445 1106246739 /nfs/dbraw/zinc/24/67/39/1106246739.db2.gz SLLXKPVDTJPACO-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCCC34COC4)CC2)cc1 ZINC001255406445 1106246741 /nfs/dbraw/zinc/24/67/41/1106246741.db2.gz SLLXKPVDTJPACO-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCCCC34COC4)CC2)cc1 ZINC001255406445 1106246746 /nfs/dbraw/zinc/24/67/46/1106246746.db2.gz SLLXKPVDTJPACO-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCCCC34COC4)CC2)cc1 ZINC001255406445 1106246750 /nfs/dbraw/zinc/24/67/50/1106246750.db2.gz SLLXKPVDTJPACO-IBGZPJMESA-N 2 1 314.473 3.296 20 0 DGADMP CO[C@@H](C)C1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410562 1106247799 /nfs/dbraw/zinc/24/77/99/1106247799.db2.gz ZDGLUCWWSJQPHR-LPHOPBHVSA-N 2 1 302.462 3.008 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409465 1106248274 /nfs/dbraw/zinc/24/82/74/1106248274.db2.gz YKSBOMQBOKYQFY-SFHVURJKSA-N 2 1 304.478 3.134 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409465 1106248278 /nfs/dbraw/zinc/24/82/78/1106248278.db2.gz YKSBOMQBOKYQFY-SFHVURJKSA-N 2 1 304.478 3.134 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409465 1106248280 /nfs/dbraw/zinc/24/82/80/1106248280.db2.gz YKSBOMQBOKYQFY-SFHVURJKSA-N 2 1 304.478 3.134 20 0 DGADMP C[N@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001255442469 1106251266 /nfs/dbraw/zinc/25/12/66/1106251266.db2.gz XHHCLODNDWYDGP-CQSZACIVSA-N 2 1 301.409 3.124 20 0 DGADMP COC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001255459897 1106253667 /nfs/dbraw/zinc/25/36/67/1106253667.db2.gz XOESKNZGOIVDKV-NUWOQIAWSA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255538683 1106266376 /nfs/dbraw/zinc/26/63/76/1106266376.db2.gz ZOZKQDWRMOLXFZ-BZSNNMDCSA-N 2 1 317.477 3.111 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001255541939 1106267138 /nfs/dbraw/zinc/26/71/38/1106267138.db2.gz WFBUFMTUNMGYFP-BZUAXINKSA-N 2 1 320.502 3.069 20 0 DGADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001255575208 1106272552 /nfs/dbraw/zinc/27/25/52/1106272552.db2.gz ZBPVLMCJLDCWAA-LAQRGFTBSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001255575208 1106272554 /nfs/dbraw/zinc/27/25/54/1106272554.db2.gz ZBPVLMCJLDCWAA-LAQRGFTBSA-N 2 1 322.518 3.315 20 0 DGADMP COC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001255575208 1106272557 /nfs/dbraw/zinc/27/25/57/1106272557.db2.gz ZBPVLMCJLDCWAA-LAQRGFTBSA-N 2 1 322.518 3.315 20 0 DGADMP C[C@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001255643779 1106282850 /nfs/dbraw/zinc/28/28/50/1106282850.db2.gz SYFNUCMUBAZOCF-LLVKDONJSA-N 2 1 304.331 3.416 20 0 DGADMP COc1cncc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001255676209 1106292792 /nfs/dbraw/zinc/29/27/92/1106292792.db2.gz KBTZFXLBRIDUEB-PHSGOXPASA-N 2 1 315.461 3.146 20 0 DGADMP COc1cncc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001255676209 1106292793 /nfs/dbraw/zinc/29/27/93/1106292793.db2.gz KBTZFXLBRIDUEB-PHSGOXPASA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc2c(cc1OC)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255685458 1106294718 /nfs/dbraw/zinc/29/47/18/1106294718.db2.gz PAYQEOFILWKSBC-SJPCQFCGSA-N 2 1 316.445 3.035 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCc3nccn3CC2)cc1 ZINC001255771718 1106313576 /nfs/dbraw/zinc/31/35/76/1106313576.db2.gz VOLUPEKMBJBXBA-HNNXBMFYSA-N 2 1 301.459 3.230 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001255771718 1106313588 /nfs/dbraw/zinc/31/35/88/1106313588.db2.gz VOLUPEKMBJBXBA-HNNXBMFYSA-N 2 1 301.459 3.230 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)n1C ZINC001255940499 1106344678 /nfs/dbraw/zinc/34/46/78/1106344678.db2.gz CKAVVIMJJSEAPR-GFCCVEGCSA-N 2 1 305.388 3.254 20 0 DGADMP CCOC(=O)C[C@@H]([NH2+][C@@H](C)CC[NH+](CC)CC)c1ccccc1 ZINC001255948516 1106347186 /nfs/dbraw/zinc/34/71/86/1106347186.db2.gz MQRXUKGFGDJADP-FUHWJXTLSA-N 2 1 320.477 3.391 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncn1Cc1ccccc1 ZINC001255953571 1106348826 /nfs/dbraw/zinc/34/88/26/1106348826.db2.gz SQHZSZQYLICTKV-QGZVFWFLSA-N 2 1 314.477 3.141 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccc(OC)cn1)C1CC1 ZINC001255954009 1106349319 /nfs/dbraw/zinc/34/93/19/1106349319.db2.gz QVNJQNVJPYQJEZ-KBXCAEBGSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001255956046 1106349764 /nfs/dbraw/zinc/34/97/64/1106349764.db2.gz GGHQMUFBVZJECH-HNNXBMFYSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001255956046 1106349766 /nfs/dbraw/zinc/34/97/66/1106349766.db2.gz GGHQMUFBVZJECH-HNNXBMFYSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC001255959926 1106350069 /nfs/dbraw/zinc/35/00/69/1106350069.db2.gz BSDLJVKUHDWZFL-GOSISDBHSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001255959926 1106350072 /nfs/dbraw/zinc/35/00/72/1106350072.db2.gz BSDLJVKUHDWZFL-GOSISDBHSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001255965322 1106350665 /nfs/dbraw/zinc/35/06/65/1106350665.db2.gz ZQPIOACEPDZODP-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001255965322 1106350670 /nfs/dbraw/zinc/35/06/70/1106350670.db2.gz ZQPIOACEPDZODP-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001255970474 1106351593 /nfs/dbraw/zinc/35/15/93/1106351593.db2.gz CMHZTRJQKIVMTG-KRWDZBQOSA-N 2 1 314.477 3.425 20 0 DGADMP CC[NH+](CC)CC[C@H](C)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001255970539 1106352245 /nfs/dbraw/zinc/35/22/45/1106352245.db2.gz DDSJEYPLOXPFGX-KRWDZBQOSA-N 2 1 314.477 3.466 20 0 DGADMP Fc1cccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256071861 1106363930 /nfs/dbraw/zinc/36/39/30/1106363930.db2.gz SAMJCNHBNTYUJY-UHFFFAOYSA-N 2 1 302.437 3.365 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2)cn1 ZINC001256324955 1106405978 /nfs/dbraw/zinc/40/59/78/1106405978.db2.gz ROXSROHMLSQBDF-UYAOXDASSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2)cn1 ZINC001256324955 1106405981 /nfs/dbraw/zinc/40/59/81/1106405981.db2.gz ROXSROHMLSQBDF-UYAOXDASSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)cn1 ZINC001256324955 1106405983 /nfs/dbraw/zinc/40/59/83/1106405983.db2.gz ROXSROHMLSQBDF-UYAOXDASSA-N 2 1 324.472 3.003 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520460 1106432814 /nfs/dbraw/zinc/43/28/14/1106432814.db2.gz OVEZXEFQJCJIMB-LEAZDLGRSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520460 1106432816 /nfs/dbraw/zinc/43/28/16/1106432816.db2.gz OVEZXEFQJCJIMB-LEAZDLGRSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)N(CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522965 1106433056 /nfs/dbraw/zinc/43/30/56/1106433056.db2.gz LAOLGBMGLCMZQY-PKOBYXMFSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522965 1106433061 /nfs/dbraw/zinc/43/30/61/1106433061.db2.gz LAOLGBMGLCMZQY-PKOBYXMFSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522965 1106433066 /nfs/dbraw/zinc/43/30/66/1106433066.db2.gz LAOLGBMGLCMZQY-PKOBYXMFSA-N 2 1 303.494 3.099 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523034 1106433464 /nfs/dbraw/zinc/43/34/64/1106433464.db2.gz LUPHPZJBVJGVTN-QXAKKESOSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523034 1106433469 /nfs/dbraw/zinc/43/34/69/1106433469.db2.gz LUPHPZJBVJGVTN-QXAKKESOSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256526601 1106434028 /nfs/dbraw/zinc/43/40/28/1106434028.db2.gz NEDLYKLVOYJBKM-ACAXCVFMSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526601 1106434031 /nfs/dbraw/zinc/43/40/31/1106434031.db2.gz NEDLYKLVOYJBKM-ACAXCVFMSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256526601 1106434035 /nfs/dbraw/zinc/43/40/35/1106434035.db2.gz NEDLYKLVOYJBKM-ACAXCVFMSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526601 1106434040 /nfs/dbraw/zinc/43/40/40/1106434040.db2.gz NEDLYKLVOYJBKM-ACAXCVFMSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526601 1106434041 /nfs/dbraw/zinc/43/40/41/1106434041.db2.gz NEDLYKLVOYJBKM-ACAXCVFMSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256527442 1106434442 /nfs/dbraw/zinc/43/44/42/1106434442.db2.gz RYKGPFKLPWTLGI-JQHSSLGASA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256527442 1106434447 /nfs/dbraw/zinc/43/44/47/1106434447.db2.gz RYKGPFKLPWTLGI-JQHSSLGASA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]1C[C@H](Nc2ccc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC001256528830 1106434718 /nfs/dbraw/zinc/43/47/18/1106434718.db2.gz MHRCVLKEFVBFIY-DOTOQJQBSA-N 2 1 310.445 3.005 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535990 1106436679 /nfs/dbraw/zinc/43/66/79/1106436679.db2.gz BKFIDWKIJGLKRM-VBSBHUPXSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535990 1106436683 /nfs/dbraw/zinc/43/66/83/1106436683.db2.gz BKFIDWKIJGLKRM-VBSBHUPXSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535990 1106436686 /nfs/dbraw/zinc/43/66/86/1106436686.db2.gz BKFIDWKIJGLKRM-VBSBHUPXSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535990 1106436688 /nfs/dbraw/zinc/43/66/88/1106436688.db2.gz BKFIDWKIJGLKRM-VBSBHUPXSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540508 1106437670 /nfs/dbraw/zinc/43/76/70/1106437670.db2.gz IQJIUOXQROEOMI-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540508 1106437674 /nfs/dbraw/zinc/43/76/74/1106437674.db2.gz IQJIUOXQROEOMI-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540508 1106437679 /nfs/dbraw/zinc/43/76/79/1106437679.db2.gz IQJIUOXQROEOMI-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256540508 1106437680 /nfs/dbraw/zinc/43/76/80/1106437680.db2.gz IQJIUOXQROEOMI-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544148 1106439769 /nfs/dbraw/zinc/43/97/69/1106439769.db2.gz WNCCTWSLZXNLNT-YZGWKJHDSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544148 1106439771 /nfs/dbraw/zinc/43/97/71/1106439771.db2.gz WNCCTWSLZXNLNT-YZGWKJHDSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544148 1106439773 /nfs/dbraw/zinc/43/97/73/1106439773.db2.gz WNCCTWSLZXNLNT-YZGWKJHDSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256544148 1106439775 /nfs/dbraw/zinc/43/97/75/1106439775.db2.gz WNCCTWSLZXNLNT-YZGWKJHDSA-N 2 1 314.473 3.152 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544188 1106439847 /nfs/dbraw/zinc/43/98/47/1106439847.db2.gz XEXVZPYXNRWZQJ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544188 1106439849 /nfs/dbraw/zinc/43/98/49/1106439849.db2.gz XEXVZPYXNRWZQJ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544188 1106439850 /nfs/dbraw/zinc/43/98/50/1106439850.db2.gz XEXVZPYXNRWZQJ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544188 1106439852 /nfs/dbraw/zinc/43/98/52/1106439852.db2.gz XEXVZPYXNRWZQJ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CCCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541797 1106439983 /nfs/dbraw/zinc/43/99/83/1106439983.db2.gz NJYSSPANLRGBPM-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541797 1106439985 /nfs/dbraw/zinc/43/99/85/1106439985.db2.gz NJYSSPANLRGBPM-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541797 1106439989 /nfs/dbraw/zinc/43/99/89/1106439989.db2.gz NJYSSPANLRGBPM-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541797 1106439992 /nfs/dbraw/zinc/43/99/92/1106439992.db2.gz NJYSSPANLRGBPM-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP CCN(CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552259 1106440755 /nfs/dbraw/zinc/44/07/55/1106440755.db2.gz ATMKDIPJSZWKMP-QUCCMNQESA-N 3 1 317.521 3.313 20 0 DGADMP CCC1(O)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552943 1106441916 /nfs/dbraw/zinc/44/19/16/1106441916.db2.gz FTMHSLAAXYJWEY-MJGOQNOKSA-N 2 1 316.489 3.276 20 0 DGADMP CCC1(O)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552943 1106441918 /nfs/dbraw/zinc/44/19/18/1106441918.db2.gz FTMHSLAAXYJWEY-MJGOQNOKSA-N 2 1 316.489 3.276 20 0 DGADMP C[NH2+]CCN([C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256553345 1106442063 /nfs/dbraw/zinc/44/20/63/1106442063.db2.gz FLJAPUZJDNSRGC-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC001256553974 1106442312 /nfs/dbraw/zinc/44/23/12/1106442312.db2.gz MXMZTMINPRRZTH-GNBUJSLZSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC001256553974 1106442314 /nfs/dbraw/zinc/44/23/14/1106442314.db2.gz MXMZTMINPRRZTH-GNBUJSLZSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC001256553974 1106442317 /nfs/dbraw/zinc/44/23/17/1106442317.db2.gz MXMZTMINPRRZTH-GNBUJSLZSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256554756 1106442504 /nfs/dbraw/zinc/44/25/04/1106442504.db2.gz QHHBAMIVZHMDIF-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256554756 1106442506 /nfs/dbraw/zinc/44/25/06/1106442506.db2.gz QHHBAMIVZHMDIF-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554756 1106442509 /nfs/dbraw/zinc/44/25/09/1106442509.db2.gz QHHBAMIVZHMDIF-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554756 1106442512 /nfs/dbraw/zinc/44/25/12/1106442512.db2.gz QHHBAMIVZHMDIF-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)[NH+]1C ZINC001256553973 1106442804 /nfs/dbraw/zinc/44/28/04/1106442804.db2.gz MXMZTMINPRRZTH-FTEYMNFISA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H](N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256553973 1106442806 /nfs/dbraw/zinc/44/28/06/1106442806.db2.gz MXMZTMINPRRZTH-FTEYMNFISA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H](N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256553973 1106442810 /nfs/dbraw/zinc/44/28/10/1106442810.db2.gz MXMZTMINPRRZTH-FTEYMNFISA-N 2 1 315.505 3.064 20 0 DGADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001256558979 1106444706 /nfs/dbraw/zinc/44/47/06/1106444706.db2.gz XFGIHEGKYGTFRO-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001256558979 1106444707 /nfs/dbraw/zinc/44/47/07/1106444707.db2.gz XFGIHEGKYGTFRO-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001256558979 1106444708 /nfs/dbraw/zinc/44/47/08/1106444708.db2.gz XFGIHEGKYGTFRO-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)O)CC1 ZINC001256565299 1106446671 /nfs/dbraw/zinc/44/66/71/1106446671.db2.gz CVPCRIBMVLVFCZ-KRWDZBQOSA-N 2 1 304.478 3.351 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001256571964 1106447435 /nfs/dbraw/zinc/44/74/35/1106447435.db2.gz NGBIZIXHBYHPBC-SFHVURJKSA-N 2 1 302.462 3.403 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001256571964 1106447437 /nfs/dbraw/zinc/44/74/37/1106447437.db2.gz NGBIZIXHBYHPBC-SFHVURJKSA-N 2 1 302.462 3.403 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC001256577922 1106449433 /nfs/dbraw/zinc/44/94/33/1106449433.db2.gz YMFURTUTFKHWNL-HZPDHXFCSA-N 2 1 324.509 3.161 20 0 DGADMP COc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001256618593 1106454965 /nfs/dbraw/zinc/45/49/65/1106454965.db2.gz LVKONKZRVOUXDQ-ALOPSCKCSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc2c1CC[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001256654290 1106463216 /nfs/dbraw/zinc/46/32/16/1106463216.db2.gz KVINWZWVEPTRHB-INIZCTEOSA-N 2 1 311.429 3.089 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+](C(C)C)C1CCN(C)CC1)C2 ZINC001256659265 1106463913 /nfs/dbraw/zinc/46/39/13/1106463913.db2.gz WENHMKGEWWECLX-SFHVURJKSA-N 2 1 316.489 3.357 20 0 DGADMP Cc1cccc(C[N@H+](C)C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001256688794 1106469989 /nfs/dbraw/zinc/46/99/89/1106469989.db2.gz KPMZVSNSPFCZPL-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695786 1106470572 /nfs/dbraw/zinc/47/05/72/1106470572.db2.gz MWRLXNFRQLBLMD-UHFFFAOYSA-N 2 1 320.452 3.291 20 0 DGADMP C[N@@H+]([C@H]1CCc2ccccc21)C1CCC([NH+]2CCOCC2)CC1 ZINC001256700195 1106470675 /nfs/dbraw/zinc/47/06/75/1106470675.db2.gz SFBQQTAHXLWEKF-QLOJAFMTSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001256727547 1106474450 /nfs/dbraw/zinc/47/44/50/1106474450.db2.gz BLJJTRJQYZFNRF-HNNXBMFYSA-N 2 1 313.420 3.102 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001256821388 1106491199 /nfs/dbraw/zinc/49/11/99/1106491199.db2.gz AFORSIWUDVGFOX-MOPGFXCFSA-N 2 1 300.446 3.077 20 0 DGADMP FC(F)(F)[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256861102 1106498610 /nfs/dbraw/zinc/49/86/10/1106498610.db2.gz OCKQHIRLYZDMFG-CYBMUJFWSA-N 2 1 313.367 3.325 20 0 DGADMP [NH3+]CCc1nc2ccccc2n1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896305 1106503714 /nfs/dbraw/zinc/50/37/14/1106503714.db2.gz BALVLOQKMWXJEP-INIZCTEOSA-N 2 1 312.461 3.117 20 0 DGADMP C[NH+](C)Cc1ccc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256899186 1106504931 /nfs/dbraw/zinc/50/49/31/1106504931.db2.gz RWBQWYDKOPBOSJ-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](C)Cc1ccc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256899186 1106504932 /nfs/dbraw/zinc/50/49/32/1106504932.db2.gz RWBQWYDKOPBOSJ-IBGZPJMESA-N 2 1 315.505 3.245 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901684 1106506368 /nfs/dbraw/zinc/50/63/68/1106506368.db2.gz IPGJSCZFHIJSEG-NVXWUHKLSA-N 2 1 302.462 3.492 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901684 1106506371 /nfs/dbraw/zinc/50/63/71/1106506371.db2.gz IPGJSCZFHIJSEG-NVXWUHKLSA-N 2 1 302.462 3.492 20 0 DGADMP [NH2+]=C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1cccnc1Cl ZINC001256903648 1106506907 /nfs/dbraw/zinc/50/69/07/1106506907.db2.gz CHFWOWVITSLGKR-GFCCVEGCSA-N 2 1 306.841 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904375 1106506971 /nfs/dbraw/zinc/50/69/71/1106506971.db2.gz HOOMBTNPABCLTD-IKGGRYGDSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904375 1106506975 /nfs/dbraw/zinc/50/69/75/1106506975.db2.gz HOOMBTNPABCLTD-IKGGRYGDSA-N 2 1 322.493 3.105 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CC[C@H](C(=O)OCC)C1 ZINC001257038644 1106528402 /nfs/dbraw/zinc/52/84/02/1106528402.db2.gz QYMKADLQCKPXCV-IRXDYDNUSA-N 2 1 312.498 3.210 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001257059911 1106531455 /nfs/dbraw/zinc/53/14/55/1106531455.db2.gz IPEZZXAQXKYIDO-KZNAEPCWSA-N 2 1 322.493 3.059 20 0 DGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC001257207740 1106551021 /nfs/dbraw/zinc/55/10/21/1106551021.db2.gz FWCMDIDIQOYJGL-UHFFFAOYSA-N 2 1 324.852 3.089 20 0 DGADMP CCC(CC)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001257290771 1106562053 /nfs/dbraw/zinc/56/20/53/1106562053.db2.gz DAIWFVMREWDYQI-WGSAOQKQSA-N 2 1 307.526 3.103 20 0 DGADMP CCCCCC[C@@H](C)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001257370008 1106575466 /nfs/dbraw/zinc/57/54/66/1106575466.db2.gz YQCLUIGEKZKPGO-MRXNPFEDSA-N 2 1 300.487 3.162 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001257393124 1106580490 /nfs/dbraw/zinc/58/04/90/1106580490.db2.gz KWQVBOWMDPEAKL-MRXNPFEDSA-N 2 1 310.482 3.059 20 0 DGADMP CCCCCC(CCCCC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257550322 1106604331 /nfs/dbraw/zinc/60/43/31/1106604331.db2.gz RIUTWTIJDMWNMX-MRXNPFEDSA-N 2 1 300.487 3.386 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC001258015042 1106658279 /nfs/dbraw/zinc/65/82/79/1106658279.db2.gz XRHSWPCYIJFRQM-LJQANCHMSA-N 2 1 301.478 3.209 20 0 DGADMP COc1cncc([C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)c1 ZINC001258010985 1106658381 /nfs/dbraw/zinc/65/83/81/1106658381.db2.gz GAIGFMNTQCDKQD-LJQANCHMSA-N 2 1 317.477 3.251 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C[C@H]1C ZINC001258020401 1106660121 /nfs/dbraw/zinc/66/01/21/1106660121.db2.gz RNHFUZKAXONFBT-IAGOWNOFSA-N 2 1 324.509 3.018 20 0 DGADMP CC(C)C[C@H](C)C[C@@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258074633 1106667941 /nfs/dbraw/zinc/66/79/41/1106667941.db2.gz LISVWECCDKVMHJ-RBUKOAKNSA-N 2 1 323.569 3.407 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@H](C)C1 ZINC001258151973 1106680824 /nfs/dbraw/zinc/68/08/24/1106680824.db2.gz RQUWOHGOVRMHKZ-IAGOWNOFSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H](Cc1ccco1)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258188338 1106691334 /nfs/dbraw/zinc/69/13/34/1106691334.db2.gz JUAZGHIUEKHTFY-PMPSAXMXSA-N 2 1 316.470 3.336 20 0 DGADMP C[C@@H](Cc1ccco1)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258188336 1106691485 /nfs/dbraw/zinc/69/14/85/1106691485.db2.gz JUAZGHIUEKHTFY-HRCADAONSA-N 2 1 316.470 3.336 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258188336 1106691486 /nfs/dbraw/zinc/69/14/86/1106691486.db2.gz JUAZGHIUEKHTFY-HRCADAONSA-N 2 1 316.470 3.336 20 0 DGADMP C[C@@H](Cc1ccco1)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258188336 1106691487 /nfs/dbraw/zinc/69/14/87/1106691487.db2.gz JUAZGHIUEKHTFY-HRCADAONSA-N 2 1 316.470 3.336 20 0 DGADMP C[C@@H](Cc1ccco1)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258188336 1106691488 /nfs/dbraw/zinc/69/14/88/1106691488.db2.gz JUAZGHIUEKHTFY-HRCADAONSA-N 2 1 316.470 3.336 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001258391227 1106728191 /nfs/dbraw/zinc/72/81/91/1106728191.db2.gz YIAZYSBETCIIKH-SNRMKQJTSA-N 2 1 304.478 3.479 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)CC3CC3)cc2)CC1 ZINC001258449934 1106750803 /nfs/dbraw/zinc/75/08/03/1106750803.db2.gz ACTHTWIJWYPAFI-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258476386 1106769620 /nfs/dbraw/zinc/76/96/20/1106769620.db2.gz RISGKGVQDDAGNB-RDJZCZTQSA-N 2 1 306.450 3.001 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001320025885 1106794612 /nfs/dbraw/zinc/79/46/12/1106794612.db2.gz IZYZJGZKLKMVPG-QRVBRYPASA-N 2 1 318.505 3.405 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258535659 1106804864 /nfs/dbraw/zinc/80/48/64/1106804864.db2.gz NBIPKZBVCXUKCM-OAHLLOKOSA-N 2 1 321.896 3.240 20 0 DGADMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC001258595385 1106834383 /nfs/dbraw/zinc/83/43/83/1106834383.db2.gz UVRZBGGKXDDMTC-LJQANCHMSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258629573 1106864821 /nfs/dbraw/zinc/86/48/21/1106864821.db2.gz CTHWEUPLALWFMD-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258629573 1106864842 /nfs/dbraw/zinc/86/48/42/1106864842.db2.gz CTHWEUPLALWFMD-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258629573 1106864861 /nfs/dbraw/zinc/86/48/61/1106864861.db2.gz CTHWEUPLALWFMD-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC001258767169 1106961493 /nfs/dbraw/zinc/96/14/93/1106961493.db2.gz WNTYGUOIDJCCJY-UHFFFAOYSA-N 2 1 324.852 3.091 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001258769952 1106963631 /nfs/dbraw/zinc/96/36/31/1106963631.db2.gz PSFBTCVRVBGEMS-IBGZPJMESA-N 2 1 307.526 3.105 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC001258770394 1106964237 /nfs/dbraw/zinc/96/42/37/1106964237.db2.gz XVNHIGUSRJSLBU-FQEVSTJZSA-N 2 1 315.505 3.033 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001258775049 1106967845 /nfs/dbraw/zinc/96/78/45/1106967845.db2.gz YAZSZOGLKNUTMG-YZGWKJHDSA-N 2 1 320.521 3.388 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)CC1 ZINC001258777957 1106970163 /nfs/dbraw/zinc/97/01/63/1106970163.db2.gz PGURKKFMOCYMTE-SFHVURJKSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)CC1 ZINC001258777957 1106970178 /nfs/dbraw/zinc/97/01/78/1106970178.db2.gz PGURKKFMOCYMTE-SFHVURJKSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC(N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258776036 1106971545 /nfs/dbraw/zinc/97/15/45/1106971545.db2.gz QCWPNKITVBGPCD-OALUTQOASA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001258801973 1106987186 /nfs/dbraw/zinc/98/71/86/1106987186.db2.gz FIRSVUAYFIFKAH-CTWPCTMYSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001258801973 1106987196 /nfs/dbraw/zinc/98/71/96/1106987196.db2.gz FIRSVUAYFIFKAH-CTWPCTMYSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258821803 1107004386 /nfs/dbraw/zinc/00/43/86/1107004386.db2.gz CFJZSPORLLVBNV-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258821803 1107004400 /nfs/dbraw/zinc/00/44/00/1107004400.db2.gz CFJZSPORLLVBNV-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258821803 1107004416 /nfs/dbraw/zinc/00/44/16/1107004416.db2.gz CFJZSPORLLVBNV-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258821803 1107004431 /nfs/dbraw/zinc/00/44/31/1107004431.db2.gz CFJZSPORLLVBNV-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258847672 1107022206 /nfs/dbraw/zinc/02/22/06/1107022206.db2.gz DQFUYEBYBHYYSZ-QGZVFWFLSA-N 2 1 315.461 3.138 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001258898704 1107047353 /nfs/dbraw/zinc/04/73/53/1107047353.db2.gz PIPAVCQITBWYHK-HZPDHXFCSA-N 2 1 314.514 3.453 20 0 DGADMP CCOC(=O)[C@H](CC1CCC1)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258900666 1107049410 /nfs/dbraw/zinc/04/94/10/1107049410.db2.gz BVPIXGUIMYNUMN-WBVHZDCISA-N 2 1 312.498 3.208 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(c2ccccc2OC)COC1 ZINC001258904359 1107049988 /nfs/dbraw/zinc/04/99/88/1107049988.db2.gz LMHKYZNXYOXDPV-MRXNPFEDSA-N 2 1 320.477 3.021 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001258904869 1107051616 /nfs/dbraw/zinc/05/16/16/1107051616.db2.gz RGTHPMBKHCCORS-KRWDZBQOSA-N 2 1 309.542 3.351 20 0 DGADMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCC2CCCCC2)c1 ZINC000479960317 1107064907 /nfs/dbraw/zinc/06/49/07/1107064907.db2.gz ORWBWVLCWHNBEI-KDURUIRLSA-N 2 1 314.473 3.297 20 0 DGADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCC2CCCCC2)c1 ZINC000479960317 1107064921 /nfs/dbraw/zinc/06/49/21/1107064921.db2.gz ORWBWVLCWHNBEI-KDURUIRLSA-N 2 1 314.473 3.297 20 0 DGADMP CCCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317425350 1107350072 /nfs/dbraw/zinc/35/00/72/1107350072.db2.gz YMQSFWXWHGURAG-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317425350 1107350085 /nfs/dbraw/zinc/35/00/85/1107350085.db2.gz YMQSFWXWHGURAG-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317425350 1107350100 /nfs/dbraw/zinc/35/01/00/1107350100.db2.gz YMQSFWXWHGURAG-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)CC[C@@H]1C(F)(F)F ZINC001261836544 1107540954 /nfs/dbraw/zinc/54/09/54/1107540954.db2.gz GDZPBQITVBICLJ-DGFSRKRXSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CC[C@@H]1C(F)(F)F ZINC001261836544 1107540963 /nfs/dbraw/zinc/54/09/63/1107540963.db2.gz GDZPBQITVBICLJ-DGFSRKRXSA-N 2 1 316.342 3.272 20 0 DGADMP Fc1cccc2c1CC[C@H]2[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001262015024 1107575966 /nfs/dbraw/zinc/57/59/66/1107575966.db2.gz YXYZFAQYHIVSMX-LJQANCHMSA-N 2 1 311.404 3.420 20 0 DGADMP C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC001262198014 1107648107 /nfs/dbraw/zinc/64/81/07/1107648107.db2.gz CZVOOQUJDJUFIH-ZYSHUDEJSA-N 2 1 303.494 3.272 20 0 DGADMP COC(=O)c1cccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001322474159 1107683719 /nfs/dbraw/zinc/68/37/19/1107683719.db2.gz ADCYMAVQZHMYHA-MRXNPFEDSA-N 2 1 318.461 3.217 20 0 DGADMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C2CC2)n1 ZINC001262362947 1107693945 /nfs/dbraw/zinc/69/39/45/1107693945.db2.gz GNKYGDXQZNGMEP-UHFFFAOYSA-N 2 1 316.493 3.184 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]CCCC(F)(F)F)[C@H](c2ccccc2)C1 ZINC001262372608 1107701228 /nfs/dbraw/zinc/70/12/28/1107701228.db2.gz WLJDCADSVDRGQD-CABCVRRESA-N 2 1 300.368 3.264 20 0 DGADMP COCc1csc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001262378938 1107705873 /nfs/dbraw/zinc/70/58/73/1107705873.db2.gz OWAQFLORHXVTQF-XHSDSOJGSA-N 2 1 308.491 3.057 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cnc1F ZINC001262481030 1107715584 /nfs/dbraw/zinc/71/55/84/1107715584.db2.gz DNVQTZOGBMOFSJ-UHFFFAOYSA-N 2 1 305.441 3.416 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317947906 1107759105 /nfs/dbraw/zinc/75/91/05/1107759105.db2.gz JMPRNWVLRMOKTD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCC ZINC001318146042 1107859770 /nfs/dbraw/zinc/85/97/70/1107859770.db2.gz ONSHVWUPLPBHDJ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001318146042 1107859787 /nfs/dbraw/zinc/85/97/87/1107859787.db2.gz ONSHVWUPLPBHDJ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001318146042 1107859801 /nfs/dbraw/zinc/85/98/01/1107859801.db2.gz ONSHVWUPLPBHDJ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Nc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc[nH+]1 ZINC001318276236 1107925145 /nfs/dbraw/zinc/92/51/45/1107925145.db2.gz AKBJIWDOPQKSFO-UHFFFAOYSA-N 2 1 311.433 3.047 20 0 DGADMP Nc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)[nH+]cn1 ZINC001318276236 1107925158 /nfs/dbraw/zinc/92/51/58/1107925158.db2.gz AKBJIWDOPQKSFO-UHFFFAOYSA-N 2 1 311.433 3.047 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N)[nH+]cn2)cc1 ZINC001318277907 1107926507 /nfs/dbraw/zinc/92/65/07/1107926507.db2.gz VUQWMCDTXCEVIB-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N)[nH+]cn2)cc1 ZINC001318277907 1107926515 /nfs/dbraw/zinc/92/65/15/1107926515.db2.gz VUQWMCDTXCEVIB-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N)nc[nH+]2)cc1 ZINC001318277907 1107926522 /nfs/dbraw/zinc/92/65/22/1107926522.db2.gz VUQWMCDTXCEVIB-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N)nc[nH+]2)cc1 ZINC001318277907 1107926530 /nfs/dbraw/zinc/92/65/30/1107926530.db2.gz VUQWMCDTXCEVIB-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631501 1108032617 /nfs/dbraw/zinc/03/26/17/1108032617.db2.gz RMARULNIZYMVAK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631501 1108032626 /nfs/dbraw/zinc/03/26/26/1108032626.db2.gz RMARULNIZYMVAK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631501 1108032639 /nfs/dbraw/zinc/03/26/39/1108032639.db2.gz RMARULNIZYMVAK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000379633390 1108033402 /nfs/dbraw/zinc/03/34/02/1108033402.db2.gz UFQPTBZTOXCGQK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633390 1108033414 /nfs/dbraw/zinc/03/34/14/1108033414.db2.gz UFQPTBZTOXCGQK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633390 1108033424 /nfs/dbraw/zinc/03/34/24/1108033424.db2.gz UFQPTBZTOXCGQK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000379633390 1108033442 /nfs/dbraw/zinc/03/34/42/1108033442.db2.gz UFQPTBZTOXCGQK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000379633390 1108033456 /nfs/dbraw/zinc/03/34/56/1108033456.db2.gz UFQPTBZTOXCGQK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631502 1108035108 /nfs/dbraw/zinc/03/51/08/1108035108.db2.gz RMARULNIZYMVAK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631502 1108035121 /nfs/dbraw/zinc/03/51/21/1108035121.db2.gz RMARULNIZYMVAK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631502 1108035134 /nfs/dbraw/zinc/03/51/34/1108035134.db2.gz RMARULNIZYMVAK-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc2)cn1 ZINC001323768422 1108079723 /nfs/dbraw/zinc/07/97/23/1108079723.db2.gz PSCYHCXKPUSJPE-ICSRJNTNSA-N 2 1 324.472 3.003 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001324003370 1108143313 /nfs/dbraw/zinc/14/33/13/1108143313.db2.gz GCHJANBZIBTBCX-MDASCCDHSA-N 2 1 314.477 3.346 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319200762 1108362513 /nfs/dbraw/zinc/36/25/13/1108362513.db2.gz HVSVSHUWQDCBMK-SZMVWBNQSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001324784054 1108463794 /nfs/dbraw/zinc/46/37/94/1108463794.db2.gz HDZMZRRFNZKRTK-CYBMUJFWSA-N 2 1 320.868 3.337 20 0 DGADMP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001319471878 1108483275 /nfs/dbraw/zinc/48/32/75/1108483275.db2.gz GJNOGENFWQVRLE-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CN(CC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388736563 1108593580 /nfs/dbraw/zinc/59/35/80/1108593580.db2.gz BWSFPAFEFNNNBJ-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC001319694299 1108596649 /nfs/dbraw/zinc/59/66/49/1108596649.db2.gz KDONLXWFGJAHPT-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC001319694299 1108596656 /nfs/dbraw/zinc/59/66/56/1108596656.db2.gz KDONLXWFGJAHPT-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC001319694299 1108596662 /nfs/dbraw/zinc/59/66/62/1108596662.db2.gz KDONLXWFGJAHPT-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC001319694299 1108596672 /nfs/dbraw/zinc/59/66/72/1108596672.db2.gz KDONLXWFGJAHPT-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3N3CCCC3)CC[C@@H]21 ZINC001319726160 1108612937 /nfs/dbraw/zinc/61/29/37/1108612937.db2.gz DHYFPSVXRVXGKO-HKUYNNGSSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3N3CCCC3)CC[C@@H]21 ZINC001319726160 1108612941 /nfs/dbraw/zinc/61/29/41/1108612941.db2.gz DHYFPSVXRVXGKO-HKUYNNGSSA-N 2 1 313.489 3.203 20 0 DGADMP COc1ccc2cc[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)c2c1 ZINC000391573222 1108740895 /nfs/dbraw/zinc/74/08/95/1108740895.db2.gz WBSYPWFDIOFIEX-GOSISDBHSA-N 2 1 311.429 3.212 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC23CCOCC3)CC1 ZINC001307515559 1111309228 /nfs/dbraw/zinc/30/92/28/1111309228.db2.gz PKQOUYRHAXIPEF-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C(=O)OC)c2)C[C@H]1C ZINC001307517384 1111309604 /nfs/dbraw/zinc/30/96/04/1111309604.db2.gz ZAQZICSRTFWYTC-WBVHZDCISA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@H]1C ZINC001307517384 1111309608 /nfs/dbraw/zinc/30/96/08/1111309608.db2.gz ZAQZICSRTFWYTC-WBVHZDCISA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@H]1C ZINC001307517384 1111309617 /nfs/dbraw/zinc/30/96/17/1111309617.db2.gz ZAQZICSRTFWYTC-WBVHZDCISA-N 2 1 318.461 3.086 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCC23CCOCC3)C1 ZINC001307515869 1111310009 /nfs/dbraw/zinc/31/00/09/1111310009.db2.gz YYJMIFKGMHWGKY-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001307515869 1111310013 /nfs/dbraw/zinc/31/00/13/1111310013.db2.gz YYJMIFKGMHWGKY-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001307515869 1111310017 /nfs/dbraw/zinc/31/00/17/1111310017.db2.gz YYJMIFKGMHWGKY-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP CC(C)C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582092 1111316158 /nfs/dbraw/zinc/31/61/58/1111316158.db2.gz FOQRKTQXTIJKNN-VQTJNVASSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582092 1111316160 /nfs/dbraw/zinc/31/61/60/1111316160.db2.gz FOQRKTQXTIJKNN-VQTJNVASSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001307582092 1111316163 /nfs/dbraw/zinc/31/61/63/1111316163.db2.gz FOQRKTQXTIJKNN-VQTJNVASSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001307582092 1111316164 /nfs/dbraw/zinc/31/61/64/1111316164.db2.gz FOQRKTQXTIJKNN-VQTJNVASSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785595 1111339783 /nfs/dbraw/zinc/33/97/83/1111339783.db2.gz NSMJWHLZFKWBHO-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785595 1111339785 /nfs/dbraw/zinc/33/97/85/1111339785.db2.gz NSMJWHLZFKWBHO-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785595 1111339789 /nfs/dbraw/zinc/33/97/89/1111339789.db2.gz NSMJWHLZFKWBHO-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785595 1111339793 /nfs/dbraw/zinc/33/97/93/1111339793.db2.gz NSMJWHLZFKWBHO-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3([C@H]4CCCCO4)CCC3)C2)C1 ZINC001307796458 1111340780 /nfs/dbraw/zinc/34/07/80/1111340780.db2.gz KIQGBPGYOFSQSG-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3([C@H]4CCCCO4)CCC3)C2)C1 ZINC001307796458 1111340784 /nfs/dbraw/zinc/34/07/84/1111340784.db2.gz KIQGBPGYOFSQSG-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+]([C@H]3CCCc4ccc(F)cc43)C[C@@]2(C)C1 ZINC001307977431 1111362108 /nfs/dbraw/zinc/36/21/08/1111362108.db2.gz CDNGTQKTEVEIDU-IPMKNSEASA-N 2 1 302.437 3.477 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1C[C@H]1c1cccc(F)c1 ZINC001308090310 1111376171 /nfs/dbraw/zinc/37/61/71/1111376171.db2.gz SYWQSGIUBMQHBP-CCKFTAQKSA-N 2 1 311.404 3.287 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC001308202236 1111396867 /nfs/dbraw/zinc/39/68/67/1111396867.db2.gz FBXYHSWOGVNVBX-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC1CCCCC1 ZINC001308270244 1111408443 /nfs/dbraw/zinc/40/84/43/1111408443.db2.gz YLQJSQZCXSOLRE-IEBWSBKVSA-N 2 1 310.526 3.419 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001308293933 1111412274 /nfs/dbraw/zinc/41/22/74/1111412274.db2.gz ZKERHXVBIHOZNC-MSOLQXFVSA-N 2 1 314.473 3.407 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001308293933 1111412276 /nfs/dbraw/zinc/41/22/76/1111412276.db2.gz ZKERHXVBIHOZNC-MSOLQXFVSA-N 2 1 314.473 3.407 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001308368031 1111422442 /nfs/dbraw/zinc/42/24/42/1111422442.db2.gz ZMXLAQCOXVVZBN-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC001308661804 1111457523 /nfs/dbraw/zinc/45/75/23/1111457523.db2.gz CXOPDUBBHVSLJQ-KRWDZBQOSA-N 2 1 322.518 3.461 20 0 DGADMP CC[C@H](C)[C@@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC001308731696 1111466477 /nfs/dbraw/zinc/46/64/77/1111466477.db2.gz MGMAUUQDHBIGAI-KBXCAEBGSA-N 2 1 306.450 3.294 20 0 DGADMP COCC[N@H+](Cc1ccc(C)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC001308894225 1111490061 /nfs/dbraw/zinc/49/00/61/1111490061.db2.gz CJUZMGGCVVSXRV-UHFFFAOYSA-N 2 1 324.896 3.439 20 0 DGADMP CCCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316872342 1111786368 /nfs/dbraw/zinc/78/63/68/1111786368.db2.gz BMXJOTRORYFQNP-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000309702165 231102412 /nfs/dbraw/zinc/10/24/12/231102412.db2.gz GKRDABMRWAJHAS-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309702165 231102413 /nfs/dbraw/zinc/10/24/13/231102413.db2.gz GKRDABMRWAJHAS-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000309981122 231109314 /nfs/dbraw/zinc/10/93/14/231109314.db2.gz UZMPSFJLSUMRPK-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000309981122 231109318 /nfs/dbraw/zinc/10/93/18/231109318.db2.gz UZMPSFJLSUMRPK-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000309981122 231109322 /nfs/dbraw/zinc/10/93/22/231109322.db2.gz UZMPSFJLSUMRPK-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCc4cccnc4)C[C@@H]3C2)cc1 ZINC000310496506 231115104 /nfs/dbraw/zinc/11/51/04/231115104.db2.gz GXTPUGLDZQQICT-SFTDATJTSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCc4cccnc4)C[C@@H]3C2)cc1 ZINC000310496506 231115107 /nfs/dbraw/zinc/11/51/07/231115107.db2.gz GXTPUGLDZQQICT-SFTDATJTSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCc4cccnc4)C[C@@H]3C2)cc1 ZINC000310496506 231115110 /nfs/dbraw/zinc/11/51/10/231115110.db2.gz GXTPUGLDZQQICT-SFTDATJTSA-N 2 1 321.468 3.078 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000082666804 185192070 /nfs/dbraw/zinc/19/20/70/185192070.db2.gz LJZNPMOQMUXEPN-LLVKDONJSA-N 2 1 303.269 3.085 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000082666804 185192071 /nfs/dbraw/zinc/19/20/71/185192071.db2.gz LJZNPMOQMUXEPN-LLVKDONJSA-N 2 1 303.269 3.085 20 0 DGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063070 529540652 /nfs/dbraw/zinc/54/06/52/529540652.db2.gz GWRDLKBOLGOHBQ-DLBZAZTESA-N 2 1 320.477 3.132 20 0 DGADMP c1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000103229364 432005647 /nfs/dbraw/zinc/00/56/47/432005647.db2.gz RGSDYORXLDNEKY-IBGZPJMESA-N 2 1 301.478 3.212 20 0 DGADMP c1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000103229364 432005648 /nfs/dbraw/zinc/00/56/48/432005648.db2.gz RGSDYORXLDNEKY-IBGZPJMESA-N 2 1 301.478 3.212 20 0 DGADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000090530646 185300667 /nfs/dbraw/zinc/30/06/67/185300667.db2.gz CSRHDSQFPKBPRR-UKRRQHHQSA-N 2 1 323.444 3.494 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000090577747 185304705 /nfs/dbraw/zinc/30/47/05/185304705.db2.gz UPBCDGXMVZLNTN-FRQCXROJSA-N 2 1 304.478 3.336 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827796 210227067 /nfs/dbraw/zinc/22/70/67/210227067.db2.gz PNAHKUJQZRBSFN-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827794 210226960 /nfs/dbraw/zinc/22/69/60/210226960.db2.gz PNAHKUJQZRBSFN-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000092560143 185325813 /nfs/dbraw/zinc/32/58/13/185325813.db2.gz IDEFVKOSVBUDCA-UHFFFAOYSA-N 2 1 322.493 3.103 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415051979 282244338 /nfs/dbraw/zinc/24/43/38/282244338.db2.gz MRQKFDXTPYPKCF-PXNSSMCTSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1ccsc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000092665684 185332405 /nfs/dbraw/zinc/33/24/05/185332405.db2.gz UQSYMDUZLSKPKP-IAGOWNOFSA-N 2 1 321.534 3.047 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000432406377 529706534 /nfs/dbraw/zinc/70/65/34/529706534.db2.gz HKGBKCVFEIQRNW-HUUCEWRRSA-N 2 1 310.507 3.462 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000432406377 529706535 /nfs/dbraw/zinc/70/65/35/529706535.db2.gz HKGBKCVFEIQRNW-HUUCEWRRSA-N 2 1 310.507 3.462 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000415123995 529964712 /nfs/dbraw/zinc/96/47/12/529964712.db2.gz BSZXBMWDNRWOLP-UHFFFAOYSA-N 2 1 319.474 3.072 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000415123995 529964714 /nfs/dbraw/zinc/96/47/14/529964714.db2.gz BSZXBMWDNRWOLP-UHFFFAOYSA-N 2 1 319.474 3.072 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423194203 529971327 /nfs/dbraw/zinc/97/13/27/529971327.db2.gz YLVMTAIBAPAZFZ-VIFPVBQESA-N 2 1 324.318 3.150 20 0 DGADMP C[NH+]1CCC([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000294868689 530050483 /nfs/dbraw/zinc/05/04/83/530050483.db2.gz UOFLXTOPLAKSTM-UHFFFAOYSA-N 2 1 303.233 3.056 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC000104142949 432014960 /nfs/dbraw/zinc/01/49/60/432014960.db2.gz SNDZJJJWDNFCHS-SFHVURJKSA-N 2 1 317.477 3.341 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676451 210081342 /nfs/dbraw/zinc/08/13/42/210081342.db2.gz QYYPYRHHMWVDMA-ICSRJNTNSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676451 210081345 /nfs/dbraw/zinc/08/13/45/210081345.db2.gz QYYPYRHHMWVDMA-ICSRJNTNSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676451 210081349 /nfs/dbraw/zinc/08/13/49/210081349.db2.gz QYYPYRHHMWVDMA-ICSRJNTNSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676451 210081350 /nfs/dbraw/zinc/08/13/50/210081350.db2.gz QYYPYRHHMWVDMA-ICSRJNTNSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676451 210081356 /nfs/dbraw/zinc/08/13/56/210081356.db2.gz QYYPYRHHMWVDMA-ICSRJNTNSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676451 210081357 /nfs/dbraw/zinc/08/13/57/210081357.db2.gz QYYPYRHHMWVDMA-ICSRJNTNSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676451 210081362 /nfs/dbraw/zinc/08/13/62/210081362.db2.gz QYYPYRHHMWVDMA-ICSRJNTNSA-N 3 1 317.521 3.217 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272648309 210052392 /nfs/dbraw/zinc/05/23/92/210052392.db2.gz DYIKSJRWHKKZOP-LWYYNNOASA-N 2 1 316.489 3.038 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(Cl)cnn1C ZINC000130329753 432021092 /nfs/dbraw/zinc/02/10/92/432021092.db2.gz IZAKQWKHVLQSTP-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000152458786 186075425 /nfs/dbraw/zinc/07/54/25/186075425.db2.gz DJFHKBRLZYAWLK-FUHWJXTLSA-N 2 1 324.472 3.066 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152647462 186093087 /nfs/dbraw/zinc/09/30/87/186093087.db2.gz FTAYEEUVOMPEOH-OCCSQVGLSA-N 2 1 323.868 3.049 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000194274628 186275907 /nfs/dbraw/zinc/27/59/07/186275907.db2.gz BOQLHMYLJANTHD-HNNXBMFYSA-N 2 1 316.474 3.047 20 0 DGADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000194274628 186275909 /nfs/dbraw/zinc/27/59/09/186275909.db2.gz BOQLHMYLJANTHD-HNNXBMFYSA-N 2 1 316.474 3.047 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268759838 186381652 /nfs/dbraw/zinc/38/16/52/186381652.db2.gz GRQDWDIUIPKBDW-WTLGNFPFSA-N 2 1 302.462 3.404 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268759838 186381654 /nfs/dbraw/zinc/38/16/54/186381654.db2.gz GRQDWDIUIPKBDW-WTLGNFPFSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000172196769 198056312 /nfs/dbraw/zinc/05/63/12/198056312.db2.gz CYTLDFVTQDOQAK-ZDUSSCGKSA-N 2 1 300.418 3.385 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000172196769 198056314 /nfs/dbraw/zinc/05/63/14/198056314.db2.gz CYTLDFVTQDOQAK-ZDUSSCGKSA-N 2 1 300.418 3.385 20 0 DGADMP C[C@@H](NC1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131018235 432032183 /nfs/dbraw/zinc/03/21/83/432032183.db2.gz SBWLPBJSYKVLDQ-SNVBAGLBSA-N 2 1 315.230 3.333 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131018235 432032184 /nfs/dbraw/zinc/03/21/84/432032184.db2.gz SBWLPBJSYKVLDQ-SNVBAGLBSA-N 2 1 315.230 3.333 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000174513893 198345004 /nfs/dbraw/zinc/34/50/04/198345004.db2.gz SBEFFGUVSHQRTK-SJLPKXTDSA-N 2 1 301.478 3.249 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000131245529 432034010 /nfs/dbraw/zinc/03/40/10/432034010.db2.gz NCESDQPGUUEHHI-NHYWBVRUSA-N 2 1 301.261 3.466 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000163579492 432035370 /nfs/dbraw/zinc/03/53/70/432035370.db2.gz WHVDEQPAGMCJIC-IEBWSBKVSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000163579492 432035373 /nfs/dbraw/zinc/03/53/73/432035373.db2.gz WHVDEQPAGMCJIC-IEBWSBKVSA-N 2 1 309.542 3.064 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132431784 432049514 /nfs/dbraw/zinc/04/95/14/432049514.db2.gz CGFVKCZIZOWPTH-HNNXBMFYSA-N 2 1 313.367 3.162 20 0 DGADMP C[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)C[NH+]1CCCCC1 ZINC000498897389 540221900 /nfs/dbraw/zinc/22/19/00/540221900.db2.gz QPWOIXWWNSCSNU-INIZCTEOSA-N 2 1 317.481 3.001 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCCOCCc2ccccc2)CC[N@H+]1C ZINC000165230035 432054429 /nfs/dbraw/zinc/05/44/29/432054429.db2.gz UDQVOGVKOUUDNI-HKUYNNGSSA-N 2 1 304.478 3.098 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081584673 192297399 /nfs/dbraw/zinc/29/73/99/192297399.db2.gz FZIVLVSHIRWCMQ-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081584673 192297403 /nfs/dbraw/zinc/29/74/03/192297403.db2.gz FZIVLVSHIRWCMQ-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081584673 192297404 /nfs/dbraw/zinc/29/74/04/192297404.db2.gz FZIVLVSHIRWCMQ-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395452 432060941 /nfs/dbraw/zinc/06/09/41/432060941.db2.gz CFBWWXBNBSJCTC-KVPLUYHFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000166395452 432060942 /nfs/dbraw/zinc/06/09/42/432060942.db2.gz CFBWWXBNBSJCTC-KVPLUYHFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000166395452 432060945 /nfs/dbraw/zinc/06/09/45/432060945.db2.gz CFBWWXBNBSJCTC-KVPLUYHFSA-N 2 1 315.505 3.112 20 0 DGADMP CCc1cccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166573155 432062074 /nfs/dbraw/zinc/06/20/74/432062074.db2.gz IQHQSJJNTRXRGH-ZWKOTPCHSA-N 2 1 311.473 3.489 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]3)c2C1 ZINC000166935689 432063322 /nfs/dbraw/zinc/06/33/22/432063322.db2.gz LHFWBXYMTHBSLB-INIZCTEOSA-N 2 1 315.461 3.129 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179636141 432066052 /nfs/dbraw/zinc/06/60/52/432066052.db2.gz PMTAKTUBAKKMDX-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179636141 432066054 /nfs/dbraw/zinc/06/60/54/432066054.db2.gz PMTAKTUBAKKMDX-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CN(c1ccccc1)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000179254461 199005491 /nfs/dbraw/zinc/00/54/91/199005491.db2.gz KRLSWYFELOZRNG-QGZVFWFLSA-N 2 1 301.478 3.072 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000134159578 432073932 /nfs/dbraw/zinc/07/39/32/432073932.db2.gz YOCIFJJTTJCHGR-UHFFFAOYSA-N 2 1 320.477 3.345 20 0 DGADMP Clc1c[nH+]ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180041258 199111347 /nfs/dbraw/zinc/11/13/47/199111347.db2.gz LKGQCMDQSWTCEC-UHFFFAOYSA-N 2 1 302.809 3.459 20 0 DGADMP CC[C@@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180138490 199121994 /nfs/dbraw/zinc/12/19/94/199121994.db2.gz MUYKXIURSCQHAS-PANBIXPWSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000237349479 202240505 /nfs/dbraw/zinc/24/05/05/202240505.db2.gz WAZKEVIQDUPLFN-HNNXBMFYSA-N 2 1 323.444 3.316 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000237352206 202241016 /nfs/dbraw/zinc/24/10/16/202241016.db2.gz AANUXDKDOZUTNL-LBPRGKRZSA-N 2 1 315.446 3.069 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180640538 199189653 /nfs/dbraw/zinc/18/96/53/199189653.db2.gz SUHIMECWQQQNJV-UTKZUKDTSA-N 2 1 324.468 3.412 20 0 DGADMP c1[nH]nc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000180781594 199207696 /nfs/dbraw/zinc/20/76/96/199207696.db2.gz JDZSUNSPLGPOBE-VQIMIIECSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc12 ZINC000180781594 199207698 /nfs/dbraw/zinc/20/76/98/199207698.db2.gz JDZSUNSPLGPOBE-VQIMIIECSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc12 ZINC000180781594 199207700 /nfs/dbraw/zinc/20/77/00/199207700.db2.gz JDZSUNSPLGPOBE-VQIMIIECSA-N 2 1 310.445 3.012 20 0 DGADMP CC(C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180118821 432079537 /nfs/dbraw/zinc/07/95/37/432079537.db2.gz WBFPPGGZCFSNJK-IHWFROFDSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180118821 432079540 /nfs/dbraw/zinc/07/95/40/432079540.db2.gz WBFPPGGZCFSNJK-IHWFROFDSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180118821 432079541 /nfs/dbraw/zinc/07/95/41/432079541.db2.gz WBFPPGGZCFSNJK-IHWFROFDSA-N 2 1 315.505 3.112 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCCOCC2)C3)cc1 ZINC000180172435 432080242 /nfs/dbraw/zinc/08/02/42/432080242.db2.gz IJLRUMOPNVAOEA-UMQXSMKFSA-N 2 1 314.473 3.341 20 0 DGADMP CC(C)OC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185854665 199896234 /nfs/dbraw/zinc/89/62/34/199896234.db2.gz XMBYZPVIGIPHAX-UHFFFAOYSA-N 2 1 302.462 3.197 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415052244 237038178 /nfs/dbraw/zinc/03/81/78/237038178.db2.gz MWMCJAAKMXKEBJ-WMZOPIPTSA-N 2 1 310.445 3.041 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415052244 237038186 /nfs/dbraw/zinc/03/81/86/237038186.db2.gz MWMCJAAKMXKEBJ-WMZOPIPTSA-N 2 1 310.445 3.041 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415039645 237025350 /nfs/dbraw/zinc/02/53/50/237025350.db2.gz JJUQZIMMWLDRKY-HOCLYGCPSA-N 2 1 310.388 3.252 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)C[C@@]1(C)C[NH3+] ZINC000415050931 237033658 /nfs/dbraw/zinc/03/36/58/237033658.db2.gz DXWQNKWYEQTRIQ-IAQYHMDHSA-N 2 1 307.488 3.288 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415084828 237068033 /nfs/dbraw/zinc/06/80/33/237068033.db2.gz RPSPGCWBBBYIID-ZJOUEHCJSA-N 2 1 321.468 3.348 20 0 DGADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000180363534 432084232 /nfs/dbraw/zinc/08/42/32/432084232.db2.gz MYMNKPGIFJQAAV-QGZVFWFLSA-N 2 1 318.509 3.168 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000180363534 432084235 /nfs/dbraw/zinc/08/42/35/432084235.db2.gz MYMNKPGIFJQAAV-QGZVFWFLSA-N 2 1 318.509 3.168 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000187053742 200053204 /nfs/dbraw/zinc/05/32/04/200053204.db2.gz MJBUJLDPQCALBS-CQSZACIVSA-N 2 1 320.452 3.229 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000180404403 432085557 /nfs/dbraw/zinc/08/55/57/432085557.db2.gz FPKFZOYPRFVHKP-AWEZNQCLSA-N 2 1 307.457 3.415 20 0 DGADMP c1ccc2sc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420323615 237696553 /nfs/dbraw/zinc/69/65/53/237696553.db2.gz GJPFACFNUBZLOJ-KBPBESRZSA-N 2 1 301.459 3.118 20 0 DGADMP Clc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420336037 237696998 /nfs/dbraw/zinc/69/69/98/237696998.db2.gz IJPKZUQMRRQZSX-GJZGRUSLSA-N 2 1 308.853 3.040 20 0 DGADMP FC(F)Oc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188727832 200295928 /nfs/dbraw/zinc/29/59/28/200295928.db2.gz PPINEKAUACEFMV-HUUCEWRRSA-N 2 1 310.388 3.047 20 0 DGADMP Cc1sc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422928862 237811794 /nfs/dbraw/zinc/81/17/94/237811794.db2.gz NAIPZBJADOCKJZ-CZUORRHYSA-N 2 1 315.486 3.391 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccccc2Cl)c2ccccc21 ZINC000423002811 237816645 /nfs/dbraw/zinc/81/66/45/237816645.db2.gz JVSFJWYSNXDRIB-HOTGVXAUSA-N 2 1 302.805 3.453 20 0 DGADMP CCOc1ccc([C@H](CC)[NH2+][C@@H](C[NH3+])C2CC2)cc1OCC ZINC000423285821 237839095 /nfs/dbraw/zinc/83/90/95/237839095.db2.gz YUMAJSMXPMBAGB-HOTGVXAUSA-N 2 1 306.450 3.262 20 0 DGADMP COCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428225109 238012568 /nfs/dbraw/zinc/01/25/68/238012568.db2.gz XZFDKXOKTMFENO-VAMGGRTRSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2)n1 ZINC000430556141 238079669 /nfs/dbraw/zinc/07/96/69/238079669.db2.gz UDNDQWMCTQLITD-KUHUBIRLSA-N 2 1 312.461 3.048 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2)n1 ZINC000430556141 238079670 /nfs/dbraw/zinc/07/96/70/238079670.db2.gz UDNDQWMCTQLITD-KUHUBIRLSA-N 2 1 312.461 3.048 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000430589521 238080950 /nfs/dbraw/zinc/08/09/50/238080950.db2.gz IGPDVVBNXZVQTC-AWEZNQCLSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000430589521 238080951 /nfs/dbraw/zinc/08/09/51/238080951.db2.gz IGPDVVBNXZVQTC-AWEZNQCLSA-N 2 1 316.367 3.288 20 0 DGADMP C[C@](C[NH3+])([NH2+]CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000430595030 238081551 /nfs/dbraw/zinc/08/15/51/238081551.db2.gz TUVPUQBPHFLZOS-OAHLLOKOSA-N 2 1 316.367 3.191 20 0 DGADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH3+])CC1 ZINC000430623365 238081915 /nfs/dbraw/zinc/08/19/15/238081915.db2.gz NBMPWMZURMFVFI-LLVKDONJSA-N 2 1 308.376 3.163 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430620220 238081937 /nfs/dbraw/zinc/08/19/37/238081937.db2.gz BWWUVBREXGSXHM-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430620220 238081938 /nfs/dbraw/zinc/08/19/38/238081938.db2.gz BWWUVBREXGSXHM-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430648528 238082631 /nfs/dbraw/zinc/08/26/31/238082631.db2.gz RESQQHUFJAGNEG-MRXNPFEDSA-N 2 1 320.440 3.172 20 0 DGADMP C[C@H]([NH3+])CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000430827784 238087520 /nfs/dbraw/zinc/08/75/20/238087520.db2.gz OXAHSRJLRIEGFT-AWEZNQCLSA-N 2 1 303.450 3.127 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430962485 238090945 /nfs/dbraw/zinc/09/09/45/238090945.db2.gz GZKUOKUHTAFEIP-IAQYHMDHSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430962485 238090947 /nfs/dbraw/zinc/09/09/47/238090947.db2.gz GZKUOKUHTAFEIP-IAQYHMDHSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2F)CCCO1 ZINC000432350991 238125870 /nfs/dbraw/zinc/12/58/70/238125870.db2.gz HMLGQNUNIAPUJN-ZSQCLPQSSA-N 2 1 324.415 3.069 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CCCO1 ZINC000432425752 238128320 /nfs/dbraw/zinc/12/83/20/238128320.db2.gz XBTKTHMJOYHDMI-MISYRCLQSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CCCO1 ZINC000432425752 238128321 /nfs/dbraw/zinc/12/83/21/238128321.db2.gz XBTKTHMJOYHDMI-MISYRCLQSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433333855 238156493 /nfs/dbraw/zinc/15/64/93/238156493.db2.gz FTMOSIYYGCCRPL-OAHLLOKOSA-N 2 1 316.449 3.414 20 0 DGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000271892501 209301953 /nfs/dbraw/zinc/30/19/53/209301953.db2.gz SHPGUXBDEKNZJO-INIZCTEOSA-N 2 1 304.434 3.006 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC[C@H](C)[NH3+])c2C1 ZINC000193308341 201025525 /nfs/dbraw/zinc/02/55/25/201025525.db2.gz QARUUXNHNKLDJM-AWEZNQCLSA-N 2 1 303.450 3.114 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCO ZINC000271873200 209287179 /nfs/dbraw/zinc/28/71/79/209287179.db2.gz NFYOAWIDELCRRC-PKOBYXMFSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCO ZINC000271873200 209287180 /nfs/dbraw/zinc/28/71/80/209287180.db2.gz NFYOAWIDELCRRC-PKOBYXMFSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCO ZINC000271873197 209286043 /nfs/dbraw/zinc/28/60/43/209286043.db2.gz NFYOAWIDELCRRC-IEBWSBKVSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCO ZINC000271873197 209286052 /nfs/dbraw/zinc/28/60/52/209286052.db2.gz NFYOAWIDELCRRC-IEBWSBKVSA-N 2 1 304.478 3.039 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCSCc1ccccc1 ZINC000193900945 201141961 /nfs/dbraw/zinc/14/19/61/201141961.db2.gz VGKXMPJEHGNDIA-OAHLLOKOSA-N 2 1 303.475 3.351 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441342367 239039146 /nfs/dbraw/zinc/03/91/46/239039146.db2.gz SGOUXVRTLRNZET-UHFFFAOYSA-N 2 1 323.912 3.072 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000135096756 432098624 /nfs/dbraw/zinc/09/86/24/432098624.db2.gz ZYSKRGAWPDQFTG-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000135096756 432098631 /nfs/dbraw/zinc/09/86/31/432098631.db2.gz ZYSKRGAWPDQFTG-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC(C)OC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000135096756 432098633 /nfs/dbraw/zinc/09/86/33/432098633.db2.gz ZYSKRGAWPDQFTG-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP CC(C)OC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000135096756 432098638 /nfs/dbraw/zinc/09/86/38/432098638.db2.gz ZYSKRGAWPDQFTG-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)s1 ZINC000271858605 209273648 /nfs/dbraw/zinc/27/36/48/209273648.db2.gz JVOYDSVITKHSMM-SNVBAGLBSA-N 2 1 315.280 3.423 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000442755138 239117358 /nfs/dbraw/zinc/11/73/58/239117358.db2.gz BYHFSWVNBNRFKT-DOTOQJQBSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763279 239120736 /nfs/dbraw/zinc/12/07/36/239120736.db2.gz INXRDAUVRVNKPK-GJYPPUQNSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763279 239120739 /nfs/dbraw/zinc/12/07/39/239120739.db2.gz INXRDAUVRVNKPK-GJYPPUQNSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000442779087 239123249 /nfs/dbraw/zinc/12/32/49/239123249.db2.gz LKQHCLSGPSZRCI-CVEARBPZSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000442782399 239124046 /nfs/dbraw/zinc/12/40/46/239124046.db2.gz RCMREFQRIDARRU-QWHCGFSZSA-N 2 1 316.367 3.143 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000442926651 239151667 /nfs/dbraw/zinc/15/16/67/239151667.db2.gz ZJHMSRAFLLHLFG-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000442917351 239153106 /nfs/dbraw/zinc/15/31/06/239153106.db2.gz DGTJSUFAKZYZAM-ZDUSSCGKSA-N 2 1 318.852 3.291 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067511 239169593 /nfs/dbraw/zinc/16/95/93/239169593.db2.gz GVUDEIMOPNRLGI-UONOGXRCSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000443212816 239183709 /nfs/dbraw/zinc/18/37/09/239183709.db2.gz FKNJEENEMFUOKD-JPLJXNOCSA-N 2 1 315.505 3.203 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H](C)C1 ZINC000271840984 209259896 /nfs/dbraw/zinc/25/98/96/209259896.db2.gz GRQBDGSRQOOCDM-WUOGDMFISA-N 2 1 316.489 3.426 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000271834449 209254942 /nfs/dbraw/zinc/25/49/42/209254942.db2.gz PMEGPVNFJMVWGV-UHFFFAOYSA-N 2 1 300.446 3.360 20 0 DGADMP COC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000277000750 213230080 /nfs/dbraw/zinc/23/00/80/213230080.db2.gz GRVYYLLSDCKJCY-UHFFFAOYSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275521253 212389846 /nfs/dbraw/zinc/38/98/46/212389846.db2.gz LDGHWAFVVRCDBI-HOCLYGCPSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Br ZINC000271806083 209232560 /nfs/dbraw/zinc/23/25/60/209232560.db2.gz KAFOYCQLBFOOIU-UHFFFAOYSA-N 2 1 309.251 3.109 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449236329 240084186 /nfs/dbraw/zinc/08/41/86/240084186.db2.gz XRDMWPBBPRXBMF-MOPGFXCFSA-N 2 1 314.473 3.066 20 0 DGADMP Cc1ccc(N2CCC([NH2+]CCc3cccc(C)c3)CC2)[nH+]c1 ZINC000449165179 240046791 /nfs/dbraw/zinc/04/67/91/240046791.db2.gz UKDMVUYWMMEMAS-UHFFFAOYSA-N 2 1 309.457 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000275397599 212308659 /nfs/dbraw/zinc/30/86/59/212308659.db2.gz BMKZHXXYNGYUCI-KRWDZBQOSA-N 2 1 302.462 3.361 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000135184312 432104433 /nfs/dbraw/zinc/10/44/33/432104433.db2.gz DOMDUXMOVYEEHZ-UHFFFAOYSA-N 2 1 304.503 3.384 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)CC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000449228375 240079659 /nfs/dbraw/zinc/07/96/59/240079659.db2.gz YMGVETXBGQROAL-CQSZACIVSA-N 2 1 304.482 3.477 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000449436885 240204527 /nfs/dbraw/zinc/20/45/27/240204527.db2.gz IAPZKCVMKIZGCU-UHFFFAOYSA-N 2 1 315.383 3.453 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521965 240264594 /nfs/dbraw/zinc/26/45/94/240264594.db2.gz JPIKEASACYKFMY-GDAAHCPNSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521965 240264595 /nfs/dbraw/zinc/26/45/95/240264595.db2.gz JPIKEASACYKFMY-GDAAHCPNSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449643183 240342610 /nfs/dbraw/zinc/34/26/10/240342610.db2.gz YULRTMTXXWVOAF-WNHJNPCNSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449643183 240342615 /nfs/dbraw/zinc/34/26/15/240342615.db2.gz YULRTMTXXWVOAF-WNHJNPCNSA-N 2 1 304.478 3.179 20 0 DGADMP C(C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)C[NH+]1CCCCC1 ZINC000451624667 241193638 /nfs/dbraw/zinc/19/36/38/241193638.db2.gz FZAWNUIUGGTCRY-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](COCc2ccccc2)C1 ZINC000268611540 432110698 /nfs/dbraw/zinc/11/06/98/432110698.db2.gz ZTMGXAIZPLYMNC-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)[C@H](C)C1 ZINC000453422108 241778018 /nfs/dbraw/zinc/77/80/18/241778018.db2.gz LLHYQTCCYZEJGO-KLHDSHLOSA-N 2 1 308.491 3.288 20 0 DGADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(Br)c1 ZINC000271768486 209198834 /nfs/dbraw/zinc/19/88/34/209198834.db2.gz AYKZBXOVEBRCNM-UHFFFAOYSA-N 2 1 309.251 3.109 20 0 DGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(C)C ZINC000092253437 193181679 /nfs/dbraw/zinc/18/16/79/193181679.db2.gz DQUQORPVXJVMQC-QGZVFWFLSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(C)C ZINC000092253437 193181681 /nfs/dbraw/zinc/18/16/81/193181681.db2.gz DQUQORPVXJVMQC-QGZVFWFLSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC(C)C ZINC000092253437 193181683 /nfs/dbraw/zinc/18/16/83/193181683.db2.gz DQUQORPVXJVMQC-QGZVFWFLSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC(C)C ZINC000092253437 193181684 /nfs/dbraw/zinc/18/16/84/193181684.db2.gz DQUQORPVXJVMQC-QGZVFWFLSA-N 2 1 320.477 3.256 20 0 DGADMP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459437384 243370264 /nfs/dbraw/zinc/37/02/64/243370264.db2.gz YTGHRXUWBNQUBJ-PKOBYXMFSA-N 2 1 313.445 3.251 20 0 DGADMP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459437382 243370479 /nfs/dbraw/zinc/37/04/79/243370479.db2.gz YTGHRXUWBNQUBJ-IEBWSBKVSA-N 2 1 313.445 3.251 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000246317414 432118959 /nfs/dbraw/zinc/11/89/59/432118959.db2.gz FDRGHBNTSAZIQM-JQFCIGGWSA-N 2 1 310.869 3.347 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000468963002 244076458 /nfs/dbraw/zinc/07/64/58/244076458.db2.gz MHNHILZUCWVTSP-CEXWTWQISA-N 2 1 309.542 3.063 20 0 DGADMP Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1Br ZINC000469063240 244082652 /nfs/dbraw/zinc/08/26/52/244082652.db2.gz VOCQGRVBONYZPX-TZMCWYRMSA-N 2 1 311.267 3.187 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+](C)CC3CC[NH+](C)CC3)s2)o1 ZINC000093089293 193202343 /nfs/dbraw/zinc/20/23/43/193202343.db2.gz SYKITDSAFOVUBF-UHFFFAOYSA-N 2 1 319.474 3.485 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000471836229 244256200 /nfs/dbraw/zinc/25/62/00/244256200.db2.gz IFLXGTGJRQTWIU-WOJBJXKFSA-N 2 1 316.489 3.085 20 0 DGADMP COCCCCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471839956 244257638 /nfs/dbraw/zinc/25/76/38/244257638.db2.gz QSUFUSRCCZKLIM-UXHICEINSA-N 2 1 318.505 3.475 20 0 DGADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262110470 203201873 /nfs/dbraw/zinc/20/18/73/203201873.db2.gz GYTSOMSRKJJFGK-HNAYVOBHSA-N 2 1 317.477 3.375 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000474065161 244364615 /nfs/dbraw/zinc/36/46/15/244364615.db2.gz IQDKRSYFSAHKTR-AUUYWEPGSA-N 2 1 314.473 3.492 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093604625 193272222 /nfs/dbraw/zinc/27/22/22/193272222.db2.gz JCEVCWMBLIAEMZ-HNNXBMFYSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000093604625 193272224 /nfs/dbraw/zinc/27/22/24/193272224.db2.gz JCEVCWMBLIAEMZ-HNNXBMFYSA-N 2 1 314.429 3.359 20 0 DGADMP COCCOc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660174 193284470 /nfs/dbraw/zinc/28/44/70/193284470.db2.gz PGHPTPLBLVNQIL-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660174 193284471 /nfs/dbraw/zinc/28/44/71/193284471.db2.gz PGHPTPLBLVNQIL-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000093660174 193284473 /nfs/dbraw/zinc/28/44/73/193284473.db2.gz PGHPTPLBLVNQIL-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000093660174 193284475 /nfs/dbraw/zinc/28/44/75/193284475.db2.gz PGHPTPLBLVNQIL-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2=CCCOC2)CC1 ZINC000093844581 193317085 /nfs/dbraw/zinc/31/70/85/193317085.db2.gz KVXBDDLNCGSKQS-KRWDZBQOSA-N 2 1 306.494 3.310 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC000122885823 284228032 /nfs/dbraw/zinc/22/80/32/284228032.db2.gz QPZBCTPIFOXONF-IIYDPXPESA-N 2 1 310.869 3.209 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnc(N)c2)CC1)CC(C)C ZINC000488171187 245156686 /nfs/dbraw/zinc/15/66/86/245156686.db2.gz RTTVIFWXHUEMQW-UHFFFAOYSA-N 2 1 318.509 3.074 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124399683 284258438 /nfs/dbraw/zinc/25/84/38/284258438.db2.gz CHAKRRPQYIDREL-RBUKOAKNSA-N 2 1 309.542 3.064 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000246367251 432124089 /nfs/dbraw/zinc/12/40/89/432124089.db2.gz LHWZSKOBFRNRAO-MSOLQXFVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000246367251 432124092 /nfs/dbraw/zinc/12/40/92/432124092.db2.gz LHWZSKOBFRNRAO-MSOLQXFVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000246367251 432124096 /nfs/dbraw/zinc/12/40/96/432124096.db2.gz LHWZSKOBFRNRAO-MSOLQXFVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000246367251 432124100 /nfs/dbraw/zinc/12/41/00/432124100.db2.gz LHWZSKOBFRNRAO-MSOLQXFVSA-N 2 1 301.478 3.211 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000490036699 245377179 /nfs/dbraw/zinc/37/71/79/245377179.db2.gz ZIQHYIGGPTWJHE-IBGZPJMESA-N 2 1 322.468 3.191 20 0 DGADMP CC(C)OCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268712516 432124807 /nfs/dbraw/zinc/12/48/07/432124807.db2.gz KYAGEPVDRLZJNC-UHFFFAOYSA-N 2 1 322.468 3.237 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268731071 432127026 /nfs/dbraw/zinc/12/70/26/432127026.db2.gz AFRYEMRFEDNMLW-MRXNPFEDSA-N 2 1 317.477 3.194 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268731071 432127030 /nfs/dbraw/zinc/12/70/30/432127030.db2.gz AFRYEMRFEDNMLW-MRXNPFEDSA-N 2 1 317.477 3.194 20 0 DGADMP Cc1cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000266194165 205173512 /nfs/dbraw/zinc/17/35/12/205173512.db2.gz HKJDZGOAHYZBHM-SFHVURJKSA-N 2 1 310.445 3.052 20 0 DGADMP Cc1cc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000266194165 205173519 /nfs/dbraw/zinc/17/35/19/205173519.db2.gz HKJDZGOAHYZBHM-SFHVURJKSA-N 2 1 310.445 3.052 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000282879162 217296198 /nfs/dbraw/zinc/29/61/98/217296198.db2.gz VQHNOFFVTHDDCM-MOPGFXCFSA-N 2 1 314.473 3.066 20 0 DGADMP CN(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435974 432130437 /nfs/dbraw/zinc/13/04/37/432130437.db2.gz CUTHNPTZAAOYDR-FXAWDEMLSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246435974 432130442 /nfs/dbraw/zinc/13/04/42/432130442.db2.gz CUTHNPTZAAOYDR-FXAWDEMLSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246435974 432130446 /nfs/dbraw/zinc/13/04/46/432130446.db2.gz CUTHNPTZAAOYDR-FXAWDEMLSA-N 2 1 313.489 3.072 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Br)s1 ZINC000019905905 182162996 /nfs/dbraw/zinc/16/29/96/182162996.db2.gz GYOPQGDBWWKFKW-UHFFFAOYSA-N 2 1 305.285 3.188 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000246455654 432131872 /nfs/dbraw/zinc/13/18/72/432131872.db2.gz PNKLLRKLMLPXSP-YJBOKZPZSA-N 2 1 304.478 3.293 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781990 432132515 /nfs/dbraw/zinc/13/25/15/432132515.db2.gz PZPDGBSZDZFEHO-UAGQMJEPSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781990 432132518 /nfs/dbraw/zinc/13/25/18/432132518.db2.gz PZPDGBSZDZFEHO-UAGQMJEPSA-N 2 1 316.445 3.125 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C)c2C)[C@H](C)C1 ZINC000494509770 246157000 /nfs/dbraw/zinc/15/70/00/246157000.db2.gz UHTYULPSZVJLES-SJLPKXTDSA-N 2 1 304.478 3.392 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462543 206084304 /nfs/dbraw/zinc/08/43/04/206084304.db2.gz SNHYITABDBQUQX-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462543 206084305 /nfs/dbraw/zinc/08/43/05/206084305.db2.gz SNHYITABDBQUQX-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462543 206084307 /nfs/dbraw/zinc/08/43/07/206084307.db2.gz SNHYITABDBQUQX-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000267462543 206084311 /nfs/dbraw/zinc/08/43/11/206084311.db2.gz SNHYITABDBQUQX-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC000495259393 246252413 /nfs/dbraw/zinc/25/24/13/246252413.db2.gz LXMXZDKISYPSJY-MJGOQNOKSA-N 2 1 316.489 3.263 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246482106 432136117 /nfs/dbraw/zinc/13/61/17/432136117.db2.gz WVYNAJRDYATTFC-WFASDCNBSA-N 2 1 311.267 3.269 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246474848 432136639 /nfs/dbraw/zinc/13/66/39/432136639.db2.gz OPPCNXKXWTVSQZ-AZUAARDMSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246474848 432136640 /nfs/dbraw/zinc/13/66/40/432136640.db2.gz OPPCNXKXWTVSQZ-AZUAARDMSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246474848 432136644 /nfs/dbraw/zinc/13/66/44/432136644.db2.gz OPPCNXKXWTVSQZ-AZUAARDMSA-N 2 1 314.473 3.282 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000268796882 432137142 /nfs/dbraw/zinc/13/71/42/432137142.db2.gz HYJSUYWFJZGEJO-QGZVFWFLSA-N 2 1 301.434 3.057 20 0 DGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000336855136 284583059 /nfs/dbraw/zinc/58/30/59/284583059.db2.gz GVJGEKYFCGGNSD-CYBMUJFWSA-N 2 1 306.454 3.062 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000268857684 432145081 /nfs/dbraw/zinc/14/50/81/432145081.db2.gz CXMMLQJTJBEBKD-LTDCPUDJSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)c1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268885526 432146876 /nfs/dbraw/zinc/14/68/76/432146876.db2.gz YSTIDLUGVHUKIG-INIZCTEOSA-N 2 1 304.478 3.307 20 0 DGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268885527 432147109 /nfs/dbraw/zinc/14/71/09/432147109.db2.gz YSTIDLUGVHUKIG-MRXNPFEDSA-N 2 1 304.478 3.307 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(C)c1 ZINC000246596720 432146586 /nfs/dbraw/zinc/14/65/86/432146586.db2.gz ZVKOQEROEKBZRY-SFNKJDCFSA-N 2 1 304.478 3.471 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000268982473 432148062 /nfs/dbraw/zinc/14/80/62/432148062.db2.gz PDUZWNNXFPLENT-QXAKKESOSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000268982473 432148066 /nfs/dbraw/zinc/14/80/66/432148066.db2.gz PDUZWNNXFPLENT-QXAKKESOSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181902034 432148685 /nfs/dbraw/zinc/14/86/85/432148685.db2.gz DZCOCUVUWPXLRZ-QGZVFWFLSA-N 2 1 324.509 3.449 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000268982469 432149541 /nfs/dbraw/zinc/14/95/41/432149541.db2.gz PDUZWNNXFPLENT-NZSAHSFTSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000268982469 432149544 /nfs/dbraw/zinc/14/95/44/432149544.db2.gz PDUZWNNXFPLENT-NZSAHSFTSA-N 2 1 304.478 3.300 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000042440170 183270281 /nfs/dbraw/zinc/27/02/81/183270281.db2.gz XRXMXUFXLMIEEA-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000043678003 183379125 /nfs/dbraw/zinc/37/91/25/183379125.db2.gz HZNIWIYQOYDRKL-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000105443759 194104076 /nfs/dbraw/zinc/10/40/76/194104076.db2.gz KDSGINJOXFUXNS-CQSZACIVSA-N 2 1 317.433 3.025 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268836408 207000027 /nfs/dbraw/zinc/00/00/27/207000027.db2.gz LYTWTASXEHIVDI-BHIYHBOVSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268836408 207000032 /nfs/dbraw/zinc/00/00/32/207000032.db2.gz LYTWTASXEHIVDI-BHIYHBOVSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000268855943 207024543 /nfs/dbraw/zinc/02/45/43/207024543.db2.gz CUMOAJLFDKUIDN-PKOBYXMFSA-N 2 1 304.478 3.191 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000268860301 207029247 /nfs/dbraw/zinc/02/92/47/207029247.db2.gz DMIREXWXFNVNFL-PBHICJAKSA-N 2 1 310.869 3.228 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000268869366 207037782 /nfs/dbraw/zinc/03/77/82/207037782.db2.gz JRQWQUGJNASZCB-IBGZPJMESA-N 2 1 314.473 3.217 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000268860307 207030067 /nfs/dbraw/zinc/03/00/67/207030067.db2.gz DMIREXWXFNVNFL-WMLDXEAASA-N 2 1 310.869 3.228 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000268922993 207088665 /nfs/dbraw/zinc/08/86/65/207088665.db2.gz XFLOQQURFZBJKB-MAUKXSAKSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000268985108 207142313 /nfs/dbraw/zinc/14/23/13/207142313.db2.gz PWFKMOBFJUMULT-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000268985108 207142318 /nfs/dbraw/zinc/14/23/18/207142318.db2.gz PWFKMOBFJUMULT-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1OC(F)F ZINC000268985521 207143209 /nfs/dbraw/zinc/14/32/09/207143209.db2.gz ISLVBTZENWVQHW-NEPJUHHUSA-N 2 1 316.392 3.287 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000269029095 207176716 /nfs/dbraw/zinc/17/67/16/207176716.db2.gz RGFIYZOEAPOMIM-UONOGXRCSA-N 2 1 318.440 3.311 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269022870 207173072 /nfs/dbraw/zinc/17/30/72/207173072.db2.gz BZUBPWQDKSJNDX-LZQZEXGQSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269022870 207173074 /nfs/dbraw/zinc/17/30/74/207173074.db2.gz BZUBPWQDKSJNDX-LZQZEXGQSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000246454612 284897885 /nfs/dbraw/zinc/89/78/85/284897885.db2.gz PJYJQVASGOPJRC-PIIMJCKOSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000269055329 207205129 /nfs/dbraw/zinc/20/51/29/207205129.db2.gz SBIMTJVCIWCALK-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000269055329 207205131 /nfs/dbraw/zinc/20/51/31/207205131.db2.gz SBIMTJVCIWCALK-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294439885 224029954 /nfs/dbraw/zinc/02/99/54/224029954.db2.gz XSKLVUMUPWTWBX-CYBMUJFWSA-N 2 1 312.404 3.415 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294439885 224029955 /nfs/dbraw/zinc/02/99/55/224029955.db2.gz XSKLVUMUPWTWBX-CYBMUJFWSA-N 2 1 312.404 3.415 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000248890271 285036815 /nfs/dbraw/zinc/03/68/15/285036815.db2.gz RXBIHKXWZWIEMS-AZUAARDMSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000248890271 285036818 /nfs/dbraw/zinc/03/68/18/285036818.db2.gz RXBIHKXWZWIEMS-AZUAARDMSA-N 2 1 314.473 3.392 20 0 DGADMP COC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000295577854 533006131 /nfs/dbraw/zinc/00/61/31/533006131.db2.gz BEFQAQAAACRPNN-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000119821875 195043642 /nfs/dbraw/zinc/04/36/42/195043642.db2.gz YJDFQFMTUQKBLR-RVKKMQEKSA-N 2 1 317.477 3.099 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000270037367 208091490 /nfs/dbraw/zinc/09/14/90/208091490.db2.gz ZGTYDUKOSZOLIF-GVDBMIGSSA-N 2 1 308.853 3.244 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000336869820 253014684 /nfs/dbraw/zinc/01/46/84/253014684.db2.gz FDWWSFAEHZYGKP-IBGZPJMESA-N 2 1 313.445 3.218 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000336869820 253014686 /nfs/dbraw/zinc/01/46/86/253014686.db2.gz FDWWSFAEHZYGKP-IBGZPJMESA-N 2 1 313.445 3.218 20 0 DGADMP CC(C)n1nccc1CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209351 253062430 /nfs/dbraw/zinc/06/24/30/253062430.db2.gz RZWFATMELLZSCF-CVEARBPZSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337209351 253062433 /nfs/dbraw/zinc/06/24/33/253062433.db2.gz RZWFATMELLZSCF-CVEARBPZSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209351 253062436 /nfs/dbraw/zinc/06/24/36/253062436.db2.gz RZWFATMELLZSCF-CVEARBPZSA-N 2 1 304.482 3.207 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc(F)cc1Cl ZINC000337273879 253075982 /nfs/dbraw/zinc/07/59/82/253075982.db2.gz PJLBNOUCPMQDLZ-UHFFFAOYSA-N 2 1 314.832 3.276 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc(F)cc1Cl ZINC000337273879 253075984 /nfs/dbraw/zinc/07/59/84/253075984.db2.gz PJLBNOUCPMQDLZ-UHFFFAOYSA-N 2 1 314.832 3.276 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000337327940 253087666 /nfs/dbraw/zinc/08/76/66/253087666.db2.gz DPIIYMFLNBQRBP-QGZVFWFLSA-N 2 1 304.478 3.363 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000337377737 253100654 /nfs/dbraw/zinc/10/06/54/253100654.db2.gz BXGMWJVKTVSBOI-ZWKOTPCHSA-N 2 1 322.880 3.116 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337393383 253105293 /nfs/dbraw/zinc/10/52/93/253105293.db2.gz ONPQQQCYAFOYFC-HZPDHXFCSA-N 2 1 322.493 3.263 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337407809 253109564 /nfs/dbraw/zinc/10/95/64/253109564.db2.gz VCKCZNLUXWTXDA-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337407809 253109566 /nfs/dbraw/zinc/10/95/66/253109566.db2.gz VCKCZNLUXWTXDA-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000337342270 253091904 /nfs/dbraw/zinc/09/19/04/253091904.db2.gz RBYHQCPUFUFJRW-AWEZNQCLSA-N 2 1 301.434 3.188 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCC4)CC2)oc1C ZINC000337522443 253132053 /nfs/dbraw/zinc/13/20/53/253132053.db2.gz QFLVDRBZWKUBMN-QGZVFWFLSA-N 2 1 317.477 3.426 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000337760677 253170828 /nfs/dbraw/zinc/17/08/28/253170828.db2.gz OVGIWAYTBWTCPU-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000337760677 253170831 /nfs/dbraw/zinc/17/08/31/253170831.db2.gz OVGIWAYTBWTCPU-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP Cn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000337801038 253176544 /nfs/dbraw/zinc/17/65/44/253176544.db2.gz IBLSQMSNQHQSMW-LJQANCHMSA-N 2 1 311.473 3.415 20 0 DGADMP Cn1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000337801038 253176545 /nfs/dbraw/zinc/17/65/45/253176545.db2.gz IBLSQMSNQHQSMW-LJQANCHMSA-N 2 1 311.473 3.415 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000338015899 253211292 /nfs/dbraw/zinc/21/12/92/253211292.db2.gz XVBFGWCOCSJYQV-LPHOPBHVSA-N 3 1 318.509 3.214 20 0 DGADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338040833 253214762 /nfs/dbraw/zinc/21/47/62/253214762.db2.gz SMCPNYOECJARAB-ZACQAIPSSA-N 2 1 323.525 3.019 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)[C@@H](C)C1 ZINC000338000617 253207758 /nfs/dbraw/zinc/20/77/58/253207758.db2.gz YWFITDDSPQRSLN-DSLXNQLJSA-N 2 1 308.510 3.292 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)[C@H](C)C1 ZINC000338000620 253207819 /nfs/dbraw/zinc/20/78/19/253207819.db2.gz YWFITDDSPQRSLN-XGXHKWSGSA-N 2 1 308.510 3.292 20 0 DGADMP FCCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000337999490 253207939 /nfs/dbraw/zinc/20/79/39/253207939.db2.gz UIJYFBUCWCLLCL-SJORKVTESA-N 2 1 312.473 3.139 20 0 DGADMP CC(C)CCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000338425246 253285387 /nfs/dbraw/zinc/28/53/87/253285387.db2.gz ZEKIXDWFOPQNAV-QGZVFWFLSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)CCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000338425246 253285390 /nfs/dbraw/zinc/28/53/90/253285390.db2.gz ZEKIXDWFOPQNAV-QGZVFWFLSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777713 253349820 /nfs/dbraw/zinc/34/98/20/253349820.db2.gz BQGQVYJDCJNHGM-BVGQSLNGSA-N 2 1 321.896 3.015 20 0 DGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777713 253349823 /nfs/dbraw/zinc/34/98/23/253349823.db2.gz BQGQVYJDCJNHGM-BVGQSLNGSA-N 2 1 321.896 3.015 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991486 197317477 /nfs/dbraw/zinc/31/74/77/197317477.db2.gz HBRHQXKKXQVZIS-PKOBYXMFSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991486 197317480 /nfs/dbraw/zinc/31/74/80/197317480.db2.gz HBRHQXKKXQVZIS-PKOBYXMFSA-N 2 1 309.457 3.297 20 0 DGADMP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000133320438 285118461 /nfs/dbraw/zinc/11/84/61/285118461.db2.gz JHJNWBJPEVOBGH-UHFFFAOYSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000338939257 253373507 /nfs/dbraw/zinc/37/35/07/253373507.db2.gz QZPQYMDVMHKMER-IYBDPMFKSA-N 2 1 320.452 3.147 20 0 DGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCO2)CC3)cc1 ZINC000339058231 253399030 /nfs/dbraw/zinc/39/90/30/253399030.db2.gz MQYCXKWAQUGWPC-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP COC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000294652118 224143810 /nfs/dbraw/zinc/14/38/10/224143810.db2.gz QRDBXYFTFDFRNC-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286525542 219036624 /nfs/dbraw/zinc/03/66/24/219036624.db2.gz NKWHLWKUSHPPLO-ITDFMYJTSA-N 2 1 305.372 3.409 20 0 DGADMP C[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C)[C@@H]3C)COC2)[C@@H]1C ZINC000182188897 296387781 /nfs/dbraw/zinc/38/77/81/296387781.db2.gz NQBSJKNLXFUWHE-USTZCAOPSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](C)[C@@H]3C)COC2)[C@@H]1C ZINC000182188897 296387782 /nfs/dbraw/zinc/38/77/82/296387782.db2.gz NQBSJKNLXFUWHE-USTZCAOPSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](C)[C@@H]3C)COC2)[C@@H]1C ZINC000182188897 296387784 /nfs/dbraw/zinc/38/77/84/296387784.db2.gz NQBSJKNLXFUWHE-USTZCAOPSA-N 2 1 308.510 3.244 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCn2ccnc2C)C12CCCCC2 ZINC000342606241 254016795 /nfs/dbraw/zinc/01/67/95/254016795.db2.gz KAEOGUHYKGZVOX-IRXDYDNUSA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606241 254016796 /nfs/dbraw/zinc/01/67/96/254016796.db2.gz KAEOGUHYKGZVOX-IRXDYDNUSA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCCCC2 ZINC000342606241 254016797 /nfs/dbraw/zinc/01/67/97/254016797.db2.gz KAEOGUHYKGZVOX-IRXDYDNUSA-N 2 1 305.466 3.251 20 0 DGADMP CCC[C@@H]1CN(c2ccnc(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000342789410 254050393 /nfs/dbraw/zinc/05/03/93/254050393.db2.gz BLEMMFKHHYQOQO-GOSISDBHSA-N 2 1 310.445 3.276 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885786 296391622 /nfs/dbraw/zinc/39/16/22/296391622.db2.gz VJDHCYUBBYXENI-UWVAXJGDSA-N 2 1 315.505 3.006 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343529725 254156789 /nfs/dbraw/zinc/15/67/89/254156789.db2.gz CEEPYQSSSIXLOX-JKSUJKDBSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343529725 254156791 /nfs/dbraw/zinc/15/67/91/254156791.db2.gz CEEPYQSSSIXLOX-JKSUJKDBSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343529725 254156792 /nfs/dbraw/zinc/15/67/92/254156792.db2.gz CEEPYQSSSIXLOX-JKSUJKDBSA-N 2 1 312.498 3.303 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343764589 254185649 /nfs/dbraw/zinc/18/56/49/254185649.db2.gz MISRURFLSZFVRP-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000344633085 254290956 /nfs/dbraw/zinc/29/09/56/254290956.db2.gz QSYGYZNXFDXNDV-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000344633085 254290958 /nfs/dbraw/zinc/29/09/58/254290958.db2.gz QSYGYZNXFDXNDV-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000344611831 254288410 /nfs/dbraw/zinc/28/84/10/254288410.db2.gz BVTDFRUHMPDXSA-GOEBONIOSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000344611831 254288412 /nfs/dbraw/zinc/28/84/12/254288412.db2.gz BVTDFRUHMPDXSA-GOEBONIOSA-N 2 1 306.450 3.056 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2CCOCC2)C3)cc1 ZINC000156047507 197083761 /nfs/dbraw/zinc/08/37/61/197083761.db2.gz OAUZOGCUOOVBFE-IHWFROFDSA-N 2 1 314.473 3.198 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000154874354 197000747 /nfs/dbraw/zinc/00/07/47/197000747.db2.gz BHLGMZFSLJFOGI-HXUWFJFHSA-N 2 1 318.505 3.344 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000294805374 224233375 /nfs/dbraw/zinc/23/33/75/224233375.db2.gz PSPGODKDLZFZHW-OLZOCXBDSA-N 2 1 307.388 3.499 20 0 DGADMP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000120797672 195239922 /nfs/dbraw/zinc/23/99/22/195239922.db2.gz HLMHLCFTMUHKFE-UHFFFAOYSA-N 2 1 324.415 3.042 20 0 DGADMP Cc1ncc([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC000120766217 195234369 /nfs/dbraw/zinc/23/43/69/195234369.db2.gz HMRXOWWWIBMVJR-CQSZACIVSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c(C)n1 ZINC000120766217 195234370 /nfs/dbraw/zinc/23/43/70/195234370.db2.gz HMRXOWWWIBMVJR-CQSZACIVSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC000120766217 195234371 /nfs/dbraw/zinc/23/43/71/195234371.db2.gz HMRXOWWWIBMVJR-CQSZACIVSA-N 2 1 304.482 3.399 20 0 DGADMP CC(C)Cn1cc(CN(C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000289919144 221317602 /nfs/dbraw/zinc/31/76/02/221317602.db2.gz VOZLSCCJPKCJHR-UHFFFAOYSA-N 2 1 318.465 3.086 20 0 DGADMP CC(C)Cn1cc(C[N@H+](C)CCCN(C)Cc2ccco2)cn1 ZINC000289919144 221317604 /nfs/dbraw/zinc/31/76/04/221317604.db2.gz VOZLSCCJPKCJHR-UHFFFAOYSA-N 2 1 318.465 3.086 20 0 DGADMP CC(C)Cn1cc(C[N@@H+](C)CCCN(C)Cc2ccco2)cn1 ZINC000289919144 221317606 /nfs/dbraw/zinc/31/76/06/221317606.db2.gz VOZLSCCJPKCJHR-UHFFFAOYSA-N 2 1 318.465 3.086 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000295039749 224396916 /nfs/dbraw/zinc/39/69/16/224396916.db2.gz MMUJZNOCJIYIGJ-KGLIPLIRSA-N 2 1 301.434 3.381 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1F ZINC000352539676 285354683 /nfs/dbraw/zinc/35/46/83/285354683.db2.gz BRPTWKFBZNXJJJ-GOEBONIOSA-N 2 1 308.441 3.216 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423272115 533315399 /nfs/dbraw/zinc/31/53/99/533315399.db2.gz YMRGEOSGQLBXIS-CVEARBPZSA-N 2 1 306.425 3.319 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1C ZINC000292388702 533412654 /nfs/dbraw/zinc/41/26/54/533412654.db2.gz SCNVRBSWONGBJL-CQSZACIVSA-N 2 1 317.477 3.013 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1C ZINC000292388702 533412659 /nfs/dbraw/zinc/41/26/59/533412659.db2.gz SCNVRBSWONGBJL-CQSZACIVSA-N 2 1 317.477 3.013 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C[C@@H]1C[NH3+] ZINC000415122759 533640250 /nfs/dbraw/zinc/64/02/50/533640250.db2.gz IPKSXMQCRWSHGZ-RYUDHWBXSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C[C@@H]1C[NH3+] ZINC000415122759 533640258 /nfs/dbraw/zinc/64/02/58/533640258.db2.gz IPKSXMQCRWSHGZ-RYUDHWBXSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432417393 533667639 /nfs/dbraw/zinc/66/76/39/533667639.db2.gz VKIUCOPCSZPPEP-IRXDYDNUSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432417393 533667644 /nfs/dbraw/zinc/66/76/44/533667644.db2.gz VKIUCOPCSZPPEP-IRXDYDNUSA-N 2 1 322.468 3.237 20 0 DGADMP c1csc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000357107576 285638570 /nfs/dbraw/zinc/63/85/70/285638570.db2.gz RYVADEBWLLUIHX-CQSZACIVSA-N 2 1 317.458 3.225 20 0 DGADMP CC(C)C1CCC(C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000584865395 400118233 /nfs/dbraw/zinc/11/82/33/400118233.db2.gz AWVQZQAOUMKMPF-UHFFFAOYSA-N 2 1 309.542 3.018 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000608507922 400082401 /nfs/dbraw/zinc/08/24/01/400082401.db2.gz KCYDEXDGOIOVAZ-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000608507922 400082405 /nfs/dbraw/zinc/08/24/05/400082405.db2.gz KCYDEXDGOIOVAZ-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595886586 400287607 /nfs/dbraw/zinc/28/76/07/400287607.db2.gz XBNNSLQNFPUFJK-DLBZAZTESA-N 2 1 304.503 3.438 20 0 DGADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000590125895 400359476 /nfs/dbraw/zinc/35/94/76/400359476.db2.gz QYICXZZRLAMPMS-UHFFFAOYSA-N 2 1 317.477 3.022 20 0 DGADMP CC1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000072727508 400400762 /nfs/dbraw/zinc/40/07/62/400400762.db2.gz IHUHHLPZVSKGLO-UHFFFAOYSA-N 2 1 302.462 3.187 20 0 DGADMP CC(C)c1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000590786715 400434302 /nfs/dbraw/zinc/43/43/02/400434302.db2.gz NMBXAKOMUVXMPK-CQSZACIVSA-N 2 1 308.470 3.306 20 0 DGADMP CC(C)c1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000590786715 400434307 /nfs/dbraw/zinc/43/43/07/400434307.db2.gz NMBXAKOMUVXMPK-CQSZACIVSA-N 2 1 308.470 3.306 20 0 DGADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC000590786730 400434458 /nfs/dbraw/zinc/43/44/58/400434458.db2.gz OHZJAJGAQWHXDI-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Clc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc2c1OCO2 ZINC000591082260 400484218 /nfs/dbraw/zinc/48/42/18/400484218.db2.gz MNWAYDJFCJERGO-ZDUSSCGKSA-N 2 1 319.792 3.102 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc2c1OCO2 ZINC000591082260 400484221 /nfs/dbraw/zinc/48/42/21/400484221.db2.gz MNWAYDJFCJERGO-ZDUSSCGKSA-N 2 1 319.792 3.102 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000591084221 400485875 /nfs/dbraw/zinc/48/58/75/400485875.db2.gz KWRJZEMVFRLGBK-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000591084221 400485879 /nfs/dbraw/zinc/48/58/79/400485879.db2.gz KWRJZEMVFRLGBK-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000591084221 400485881 /nfs/dbraw/zinc/48/58/81/400485881.db2.gz KWRJZEMVFRLGBK-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044533106 400494612 /nfs/dbraw/zinc/49/46/12/400494612.db2.gz WPNWJLFWEGMMOW-NSHDSACASA-N 2 1 318.795 3.373 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044533106 400494619 /nfs/dbraw/zinc/49/46/19/400494619.db2.gz WPNWJLFWEGMMOW-NSHDSACASA-N 2 1 318.795 3.373 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000602726841 400553003 /nfs/dbraw/zinc/55/30/03/400553003.db2.gz CDMVUEUACVLTHJ-DOTOQJQBSA-N 2 1 304.503 3.240 20 0 DGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000603517265 400697128 /nfs/dbraw/zinc/69/71/28/400697128.db2.gz LORUIHXAMXCXPC-IBGZPJMESA-N 2 1 316.489 3.345 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593094818 400761375 /nfs/dbraw/zinc/76/13/75/400761375.db2.gz IJAAKSXYACPKRK-MRXNPFEDSA-N 2 1 321.465 3.168 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593094818 400761383 /nfs/dbraw/zinc/76/13/83/400761383.db2.gz IJAAKSXYACPKRK-MRXNPFEDSA-N 2 1 321.465 3.168 20 0 DGADMP Clc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000629513479 400952969 /nfs/dbraw/zinc/95/29/69/400952969.db2.gz GYSUHWUXXBKDJA-CXHZTBPHSA-N 2 1 320.864 3.181 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000598994409 400923076 /nfs/dbraw/zinc/92/30/76/400923076.db2.gz MKHPBZLUPJZKOI-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629652419 401018798 /nfs/dbraw/zinc/01/87/98/401018798.db2.gz AHFJJVJOKAJAOU-VHDGCEQUSA-N 2 1 300.368 3.249 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1F ZINC000629589453 400985196 /nfs/dbraw/zinc/98/51/96/400985196.db2.gz WSVJHRIEJLAWGE-ZBFHGGJFSA-N 2 1 306.425 3.013 20 0 DGADMP COC[C@@H](C)[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629590273 400985484 /nfs/dbraw/zinc/98/54/84/400985484.db2.gz SFSNPXZBQYWZJK-OXQOHEQNSA-N 2 1 316.489 3.401 20 0 DGADMP CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935878 400987326 /nfs/dbraw/zinc/98/73/26/400987326.db2.gz CDKRJWQWKZKVGO-OALUTQOASA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935878 400987327 /nfs/dbraw/zinc/98/73/27/400987327.db2.gz CDKRJWQWKZKVGO-OALUTQOASA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606935878 400987331 /nfs/dbraw/zinc/98/73/31/400987331.db2.gz CDKRJWQWKZKVGO-OALUTQOASA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606935878 400987332 /nfs/dbraw/zinc/98/73/32/400987332.db2.gz CDKRJWQWKZKVGO-OALUTQOASA-N 2 1 304.478 3.134 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@H]1C(F)(F)F ZINC000629654690 401020336 /nfs/dbraw/zinc/02/03/36/401020336.db2.gz PQYMJGWXGYOXGE-GDBMZVCRSA-N 2 1 312.379 3.134 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533096 400963601 /nfs/dbraw/zinc/96/36/01/400963601.db2.gz HRDBTIGXTARTKF-AEFFLSMTSA-N 2 1 301.478 3.335 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000599308968 401018202 /nfs/dbraw/zinc/01/82/02/401018202.db2.gz GUFLLRFRKNRGLP-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000599308968 401018211 /nfs/dbraw/zinc/01/82/11/401018211.db2.gz GUFLLRFRKNRGLP-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000629559639 400975143 /nfs/dbraw/zinc/97/51/43/400975143.db2.gz BKSRJYSJZUVUJU-VHSXEESVSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000629559639 400975148 /nfs/dbraw/zinc/97/51/48/400975148.db2.gz BKSRJYSJZUVUJU-VHSXEESVSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCSc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561252 400976138 /nfs/dbraw/zinc/97/61/38/400976138.db2.gz IAZURDQLSSWZPK-JSGCOSHPSA-N 2 1 318.408 3.238 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCSc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561252 400976142 /nfs/dbraw/zinc/97/61/42/400976142.db2.gz IAZURDQLSSWZPK-JSGCOSHPSA-N 2 1 318.408 3.238 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1C(F)(F)F ZINC000629562433 400976999 /nfs/dbraw/zinc/97/69/99/400976999.db2.gz NBHSLISCDJOPQH-CVEARBPZSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1C(F)(F)F ZINC000629562433 400977001 /nfs/dbraw/zinc/97/70/01/400977001.db2.gz NBHSLISCDJOPQH-CVEARBPZSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1C(F)(F)F ZINC000629562815 400978434 /nfs/dbraw/zinc/97/84/34/400978434.db2.gz NUIRTQLRIAFPHZ-OCCSQVGLSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@@H]1C(F)(F)F ZINC000629562815 400978437 /nfs/dbraw/zinc/97/84/37/400978437.db2.gz NUIRTQLRIAFPHZ-OCCSQVGLSA-N 2 1 312.335 3.392 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)s1 ZINC000629561534 400978451 /nfs/dbraw/zinc/97/84/51/400978451.db2.gz IKXSULGCTZFQGN-OLZOCXBDSA-N 2 1 306.397 3.324 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)s1 ZINC000629561534 400978457 /nfs/dbraw/zinc/97/84/57/400978457.db2.gz IKXSULGCTZFQGN-OLZOCXBDSA-N 2 1 306.397 3.324 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629565543 400979815 /nfs/dbraw/zinc/97/98/15/400979815.db2.gz KIKAQOOPONOYKT-CABCVRRESA-N 2 1 300.368 3.078 20 0 DGADMP CC[NH2+]Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000629733436 401064933 /nfs/dbraw/zinc/06/49/33/401064933.db2.gz SAXKJXXCVRTXNX-UHFFFAOYSA-N 2 1 310.441 3.295 20 0 DGADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc([C@@H]2CC[NH2+]C2)c1 ZINC000629733608 401065022 /nfs/dbraw/zinc/06/50/22/401065022.db2.gz ZYMPORSHTBDRAS-OAQYLSRUSA-N 2 1 322.452 3.263 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656593 401022724 /nfs/dbraw/zinc/02/27/24/401022724.db2.gz PKPWYXYCOOZTNR-ZFWWWQNUSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656593 401022726 /nfs/dbraw/zinc/02/27/26/401022726.db2.gz PKPWYXYCOOZTNR-ZFWWWQNUSA-N 2 1 323.362 3.194 20 0 DGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC000629702684 401048250 /nfs/dbraw/zinc/04/82/50/401048250.db2.gz RMOPVQUKKDHDBH-MRXNPFEDSA-N 2 1 312.461 3.096 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+](C)C1CCC1 ZINC000629973321 401142806 /nfs/dbraw/zinc/14/28/06/401142806.db2.gz OCEZCNWRMOULLG-UHFFFAOYSA-N 2 1 315.461 3.014 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358236199 286006736 /nfs/dbraw/zinc/00/67/36/286006736.db2.gz AEMJQAYAGUXYCP-MSOLQXFVSA-N 2 1 304.482 3.098 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358236199 286006739 /nfs/dbraw/zinc/00/67/39/286006739.db2.gz AEMJQAYAGUXYCP-MSOLQXFVSA-N 2 1 304.482 3.098 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1OC(C)C ZINC000062427132 401171755 /nfs/dbraw/zinc/17/17/55/401171755.db2.gz NRMVTCDVHLIHQH-INIZCTEOSA-N 2 1 320.477 3.302 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1OC(C)C ZINC000062427132 401171760 /nfs/dbraw/zinc/17/17/60/401171760.db2.gz NRMVTCDVHLIHQH-INIZCTEOSA-N 2 1 320.477 3.302 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000085793056 401175617 /nfs/dbraw/zinc/17/56/17/401175617.db2.gz NDDOCUZDVVJMLP-UHFFFAOYSA-N 2 1 303.494 3.175 20 0 DGADMP C[C@H]([NH2+]Cc1ncccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000090721175 401272521 /nfs/dbraw/zinc/27/25/21/401272521.db2.gz WTAJLDRYQWJADE-AWEZNQCLSA-N 2 1 317.408 3.012 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634686770 401334746 /nfs/dbraw/zinc/33/47/46/401334746.db2.gz RPAZVUXQZSCCIX-QRQLOZEOSA-N 2 1 316.489 3.302 20 0 DGADMP CCCn1c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc2ccccc21 ZINC000634732214 401340573 /nfs/dbraw/zinc/34/05/73/401340573.db2.gz AVWBHLICGZQKJU-OAHLLOKOSA-N 2 1 314.477 3.314 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)CC2)C1 ZINC000634732312 401340787 /nfs/dbraw/zinc/34/07/87/401340787.db2.gz COUFDBHWEGRJFZ-BHIYHBOVSA-N 3 1 321.553 3.397 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062784 401291565 /nfs/dbraw/zinc/29/15/65/401291565.db2.gz GNVQMRWJJAGHLI-IBGZPJMESA-N 3 1 303.494 3.054 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062784 401291573 /nfs/dbraw/zinc/29/15/73/401291573.db2.gz GNVQMRWJJAGHLI-IBGZPJMESA-N 3 1 303.494 3.054 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062784 401291577 /nfs/dbraw/zinc/29/15/77/401291577.db2.gz GNVQMRWJJAGHLI-IBGZPJMESA-N 3 1 303.494 3.054 20 0 DGADMP CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062784 401291580 /nfs/dbraw/zinc/29/15/80/401291580.db2.gz GNVQMRWJJAGHLI-IBGZPJMESA-N 2 1 303.494 3.054 20 0 DGADMP CCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062784 401291584 /nfs/dbraw/zinc/29/15/84/401291584.db2.gz GNVQMRWJJAGHLI-IBGZPJMESA-N 2 1 303.494 3.054 20 0 DGADMP CC[N@@H+](CCc1cscn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062707 401291595 /nfs/dbraw/zinc/29/15/95/401291595.db2.gz CPVBLOPTZOSQLF-UHFFFAOYSA-N 2 1 303.475 3.269 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000631043359 401375887 /nfs/dbraw/zinc/37/58/87/401375887.db2.gz SUOHHGPWPQYIFS-HOTGVXAUSA-N 2 1 317.477 3.103 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000635011248 401402352 /nfs/dbraw/zinc/40/23/52/401402352.db2.gz MVPZBGDFWMHVDO-STQMWFEESA-N 2 1 324.440 3.272 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000635012867 401403425 /nfs/dbraw/zinc/40/34/25/401403425.db2.gz WKYPNSHXYCQZSL-JKSUJKDBSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259191 401439924 /nfs/dbraw/zinc/43/99/24/401439924.db2.gz MPHVEJPFMPVOBD-RTBURBONSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259191 401439934 /nfs/dbraw/zinc/43/99/34/401439934.db2.gz MPHVEJPFMPVOBD-RTBURBONSA-N 2 1 315.505 3.032 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000623085895 401463114 /nfs/dbraw/zinc/46/31/14/401463114.db2.gz MCRMGFREWDMRHU-UHFFFAOYSA-N 2 1 316.405 3.015 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCc1c[nH+]cn1C ZINC000623086121 401463213 /nfs/dbraw/zinc/46/32/13/401463213.db2.gz YCBFMHPMBJSXRH-UKTHLTGXSA-N 2 1 321.371 3.257 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC000631570797 401501533 /nfs/dbraw/zinc/50/15/33/401501533.db2.gz ZDXBZEOOFFOGJC-ZBFHGGJFSA-N 2 1 306.450 3.086 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000623656936 401563126 /nfs/dbraw/zinc/56/31/26/401563126.db2.gz GBGFSXCIRJMWSG-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000623656936 401563129 /nfs/dbraw/zinc/56/31/29/401563129.db2.gz GBGFSXCIRJMWSG-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000623657681 401563168 /nfs/dbraw/zinc/56/31/68/401563168.db2.gz WMDUMTNOYGPRMT-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000623657681 401563171 /nfs/dbraw/zinc/56/31/71/401563171.db2.gz WMDUMTNOYGPRMT-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000623656588 401563383 /nfs/dbraw/zinc/56/33/83/401563383.db2.gz XUQKBXLAXSIECI-ZDUSSCGKSA-N 2 1 318.490 3.095 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000623656588 401563385 /nfs/dbraw/zinc/56/33/85/401563385.db2.gz XUQKBXLAXSIECI-ZDUSSCGKSA-N 2 1 318.490 3.095 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656208 401563680 /nfs/dbraw/zinc/56/36/80/401563680.db2.gz PDXCLXMZQYAPBL-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623656208 401563681 /nfs/dbraw/zinc/56/36/81/401563681.db2.gz PDXCLXMZQYAPBL-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628292829 401568878 /nfs/dbraw/zinc/56/88/78/401568878.db2.gz XELCAPOZZSYKCV-INIZCTEOSA-N 2 1 312.379 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628292829 401568882 /nfs/dbraw/zinc/56/88/82/401568882.db2.gz XELCAPOZZSYKCV-INIZCTEOSA-N 2 1 312.379 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628292829 401568883 /nfs/dbraw/zinc/56/88/83/401568883.db2.gz XELCAPOZZSYKCV-INIZCTEOSA-N 2 1 312.379 3.276 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000623831174 401584543 /nfs/dbraw/zinc/58/45/43/401584543.db2.gz APLCAVUDSFORSA-UHFFFAOYSA-N 2 1 304.478 3.487 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000623857016 401589110 /nfs/dbraw/zinc/58/91/10/401589110.db2.gz GNTWFOMANIWIRY-HNNXBMFYSA-N 2 1 301.459 3.372 20 0 DGADMP CCN(Cc1nc(C)c[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628186980 401544987 /nfs/dbraw/zinc/54/49/87/401544987.db2.gz BPQVRGNBFOPRBU-SFHVURJKSA-N 2 1 312.461 3.062 20 0 DGADMP Cc1ccc([C@H](C)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000628191047 401546687 /nfs/dbraw/zinc/54/66/87/401546687.db2.gz XUQMOUOGFBOQBN-RSPOEFSDSA-N 2 1 316.489 3.282 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000631748347 401549394 /nfs/dbraw/zinc/54/93/94/401549394.db2.gz CWORNSNLYOFCMI-HXUWFJFHSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000631748347 401549395 /nfs/dbraw/zinc/54/93/95/401549395.db2.gz CWORNSNLYOFCMI-HXUWFJFHSA-N 2 1 315.505 3.032 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575447 401549679 /nfs/dbraw/zinc/54/96/79/401549679.db2.gz AZSHFUHTQIAPNH-DLBZAZTESA-N 2 1 324.472 3.322 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631755094 401550100 /nfs/dbraw/zinc/55/01/00/401550100.db2.gz YEFMVPFBUHYVAT-SLBVQIDZSA-N 2 1 312.379 3.437 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628223622 401553853 /nfs/dbraw/zinc/55/38/53/401553853.db2.gz LQRUTXWUGGDYPJ-IUODEOHRSA-N 2 1 300.368 3.320 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119583 401628564 /nfs/dbraw/zinc/62/85/64/401628564.db2.gz FMLQILYDKHPYHO-KXBFYZLASA-N 2 1 302.462 3.394 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121440 401629040 /nfs/dbraw/zinc/62/90/40/401629040.db2.gz WMNYJPGUNSLITP-DLBZAZTESA-N 2 1 320.477 3.094 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C2CC2)c1 ZINC000624121695 401629214 /nfs/dbraw/zinc/62/92/14/401629214.db2.gz BELBGZWESIYWQJ-XLIONFOSSA-N 2 1 316.489 3.338 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624697007 401683203 /nfs/dbraw/zinc/68/32/03/401683203.db2.gz IUOGNEOMZQLGDM-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358691720 286125464 /nfs/dbraw/zinc/12/54/64/286125464.db2.gz YBUSXDJAPOHMFW-NSHGMRRFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358691720 286125465 /nfs/dbraw/zinc/12/54/65/286125465.db2.gz YBUSXDJAPOHMFW-NSHGMRRFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358691720 286125466 /nfs/dbraw/zinc/12/54/66/286125466.db2.gz YBUSXDJAPOHMFW-NSHGMRRFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358691714 286125484 /nfs/dbraw/zinc/12/54/84/286125484.db2.gz YBUSXDJAPOHMFW-CMKODMSKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358691714 286125485 /nfs/dbraw/zinc/12/54/85/286125485.db2.gz YBUSXDJAPOHMFW-CMKODMSKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358691714 286125487 /nfs/dbraw/zinc/12/54/87/286125487.db2.gz YBUSXDJAPOHMFW-CMKODMSKSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720732 286132864 /nfs/dbraw/zinc/13/28/64/286132864.db2.gz VQGQZPAJXXFPLC-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358720732 286132867 /nfs/dbraw/zinc/13/28/67/286132867.db2.gz VQGQZPAJXXFPLC-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420304849 292225499 /nfs/dbraw/zinc/22/54/99/292225499.db2.gz OTXZLFBWNZWYNM-AEFFLSMTSA-N 2 1 304.503 3.475 20 0 DGADMP Fc1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000359214534 286262456 /nfs/dbraw/zinc/26/24/56/286262456.db2.gz JGQKFSCVVQRCSX-IBGZPJMESA-N 2 1 320.452 3.196 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1OC(F)(F)F ZINC000359226515 286264862 /nfs/dbraw/zinc/26/48/62/286264862.db2.gz VFGJIWBXFUUDPO-UHFFFAOYSA-N 2 1 316.367 3.407 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359397118 286299426 /nfs/dbraw/zinc/29/94/26/286299426.db2.gz XXHPBPVSOZBVDE-MRXNPFEDSA-N 2 1 314.389 3.025 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359407860 286301562 /nfs/dbraw/zinc/30/15/62/286301562.db2.gz ANZGQCOBNBPTEW-MOPGFXCFSA-N 2 1 302.462 3.187 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC000359458918 286312727 /nfs/dbraw/zinc/31/27/27/286312727.db2.gz RSVAPDFXDGIEJR-UHFFFAOYSA-N 2 1 324.472 3.033 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC000359458918 286312731 /nfs/dbraw/zinc/31/27/31/286312731.db2.gz RSVAPDFXDGIEJR-UHFFFAOYSA-N 2 1 324.472 3.033 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000359627863 286350193 /nfs/dbraw/zinc/35/01/93/286350193.db2.gz CNFVAANSWBWRHU-MRXNPFEDSA-N 2 1 306.450 3.229 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000359935477 286391965 /nfs/dbraw/zinc/39/19/65/286391965.db2.gz POJCEFMVACCJCV-YESZJQIVSA-N 2 1 304.478 3.432 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000360245110 286449371 /nfs/dbraw/zinc/44/93/71/286449371.db2.gz KPXGLHSPRFMCPP-KBPBESRZSA-N 2 1 322.415 3.056 20 0 DGADMP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000423156735 287018229 /nfs/dbraw/zinc/01/82/29/287018229.db2.gz UDPCQKMBJGMWLX-MRXNPFEDSA-N 2 1 324.472 3.199 20 0 DGADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000423156735 287018231 /nfs/dbraw/zinc/01/82/31/287018231.db2.gz UDPCQKMBJGMWLX-MRXNPFEDSA-N 2 1 324.472 3.199 20 0 DGADMP CCn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951746 287079172 /nfs/dbraw/zinc/07/91/72/287079172.db2.gz NTBVAEAWOAPARS-HKUYNNGSSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951746 287079173 /nfs/dbraw/zinc/07/91/73/287079173.db2.gz NTBVAEAWOAPARS-HKUYNNGSSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951746 287079175 /nfs/dbraw/zinc/07/91/75/287079175.db2.gz NTBVAEAWOAPARS-HKUYNNGSSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000364951746 287079179 /nfs/dbraw/zinc/07/91/79/287079179.db2.gz NTBVAEAWOAPARS-HKUYNNGSSA-N 2 1 318.509 3.032 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@H](C)C3CCSCC3)CC2)[nH+]c1 ZINC000187242881 165083495 /nfs/dbraw/zinc/08/34/95/165083495.db2.gz OPGUZMRIMZFSCD-OAHLLOKOSA-N 2 1 319.518 3.480 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000190999565 165224406 /nfs/dbraw/zinc/22/44/06/165224406.db2.gz JINMXHZSMDWBJJ-QGZVFWFLSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000190999565 165224410 /nfs/dbraw/zinc/22/44/10/165224410.db2.gz JINMXHZSMDWBJJ-QGZVFWFLSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000192075613 165280933 /nfs/dbraw/zinc/28/09/33/165280933.db2.gz GEKZHWBJYZOTOF-UYAOXDASSA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075613 165280937 /nfs/dbraw/zinc/28/09/37/165280937.db2.gz GEKZHWBJYZOTOF-UYAOXDASSA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075613 165280941 /nfs/dbraw/zinc/28/09/41/165280941.db2.gz GEKZHWBJYZOTOF-UYAOXDASSA-N 2 1 324.472 3.097 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000192574226 165296031 /nfs/dbraw/zinc/29/60/31/165296031.db2.gz DJYIVTMBLHJZBH-JTDSTZFVSA-N 2 1 302.462 3.227 20 0 DGADMP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192924701 165310472 /nfs/dbraw/zinc/31/04/72/165310472.db2.gz FRFCKEIQNOYQME-SFHVURJKSA-N 2 1 311.429 3.093 20 0 DGADMP CCCOc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193032123 165314475 /nfs/dbraw/zinc/31/44/75/165314475.db2.gz UQJOBVHXPLUTAN-AYHJJNSGSA-N 2 1 302.462 3.233 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H](C)CCC=C(C)C)C2)CC1 ZINC000193246126 165320050 /nfs/dbraw/zinc/32/00/50/165320050.db2.gz CASKSCUEHIKEQY-VQTJNVASSA-N 2 1 321.553 3.471 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(Br)c1 ZINC000227220975 165385168 /nfs/dbraw/zinc/38/51/68/165385168.db2.gz IVYHCIMIKOGUEY-UHFFFAOYSA-N 2 1 317.246 3.362 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(Br)c1 ZINC000227220975 165385172 /nfs/dbraw/zinc/38/51/72/165385172.db2.gz IVYHCIMIKOGUEY-UHFFFAOYSA-N 2 1 317.246 3.362 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)c1 ZINC000365956407 287191799 /nfs/dbraw/zinc/19/17/99/287191799.db2.gz REXUZQYVRPJNJA-CHWSQXEVSA-N 2 1 303.431 3.120 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)s2)c1 ZINC000365956407 287191801 /nfs/dbraw/zinc/19/18/01/287191801.db2.gz REXUZQYVRPJNJA-CHWSQXEVSA-N 2 1 303.431 3.120 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)c1 ZINC000365956409 287191828 /nfs/dbraw/zinc/19/18/28/287191828.db2.gz REXUZQYVRPJNJA-QWHCGFSZSA-N 2 1 303.431 3.120 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)s2)c1 ZINC000365956409 287191830 /nfs/dbraw/zinc/19/18/30/287191830.db2.gz REXUZQYVRPJNJA-QWHCGFSZSA-N 2 1 303.431 3.120 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000136323345 432152880 /nfs/dbraw/zinc/15/28/80/432152880.db2.gz VFRCVFWZBBGSNU-LSDHHAIUSA-N 2 1 301.434 3.144 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOc1ccccc1C ZINC000136296509 432153085 /nfs/dbraw/zinc/15/30/85/432153085.db2.gz HYXVNKFDSIKQLY-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOc1ccccc1C ZINC000136296509 432153091 /nfs/dbraw/zinc/15/30/91/432153091.db2.gz HYXVNKFDSIKQLY-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000246667734 432153454 /nfs/dbraw/zinc/15/34/54/432153454.db2.gz FGVGKBDNORKEJJ-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000246667734 432153458 /nfs/dbraw/zinc/15/34/58/432153458.db2.gz FGVGKBDNORKEJJ-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000246667734 432153460 /nfs/dbraw/zinc/15/34/60/432153460.db2.gz FGVGKBDNORKEJJ-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000246667734 432153462 /nfs/dbraw/zinc/15/34/62/432153462.db2.gz FGVGKBDNORKEJJ-MJGOQNOKSA-N 2 1 301.478 3.211 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1 ZINC000269278171 432159013 /nfs/dbraw/zinc/15/90/13/432159013.db2.gz PMVVRVJGLSCTOL-LJQANCHMSA-N 2 1 319.493 3.022 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000246816380 432168760 /nfs/dbraw/zinc/16/87/60/432168760.db2.gz AXDFUBKSQZVSLC-RWQQGDIJSA-N 2 1 309.542 3.205 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000138516062 432182284 /nfs/dbraw/zinc/18/22/84/432182284.db2.gz WTAWZRCCVUQVCE-IAGOWNOFSA-N 2 1 312.461 3.087 20 0 DGADMP C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182265419 432173591 /nfs/dbraw/zinc/17/35/91/432173591.db2.gz KLFLZRUWBYLGMC-VCRNDEPESA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1(C)CC1 ZINC000246934752 432183371 /nfs/dbraw/zinc/18/33/71/432183371.db2.gz HHTOOZKWFRQFQH-HZPDHXFCSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1(C)CC1 ZINC000246934752 432183373 /nfs/dbraw/zinc/18/33/73/432183373.db2.gz HHTOOZKWFRQFQH-HZPDHXFCSA-N 2 1 302.462 3.186 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000190694626 432183552 /nfs/dbraw/zinc/18/35/52/432183552.db2.gz BXARWAYSZSWXBO-DOMZBBRYSA-N 2 1 311.267 3.330 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000246991755 432187880 /nfs/dbraw/zinc/18/78/80/432187880.db2.gz JJMDXEQBSWLVFM-YJBOKZPZSA-N 2 1 312.461 3.061 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCC1 ZINC000247010175 432189966 /nfs/dbraw/zinc/18/99/66/432189966.db2.gz LDEYETRVPIXERN-JKSUJKDBSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCC1 ZINC000247010175 432189970 /nfs/dbraw/zinc/18/99/70/432189970.db2.gz LDEYETRVPIXERN-JKSUJKDBSA-N 2 1 302.462 3.186 20 0 DGADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846554 432196400 /nfs/dbraw/zinc/19/64/00/432196400.db2.gz NGUGNOCMFZHLJI-HNNXBMFYSA-N 2 1 310.388 3.206 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846554 432196402 /nfs/dbraw/zinc/19/64/02/432196402.db2.gz NGUGNOCMFZHLJI-HNNXBMFYSA-N 2 1 310.388 3.206 20 0 DGADMP CO[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000190941626 432203081 /nfs/dbraw/zinc/20/30/81/432203081.db2.gz RPPMCPKDUQKNJW-MSOLQXFVSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3(O)CCC(C)CC3)C2)[nH+]1 ZINC000130753901 196107007 /nfs/dbraw/zinc/10/70/07/196107007.db2.gz REMHKMCRFAGNET-RMXPPQQLSA-N 2 1 317.477 3.065 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3(O)CCC(C)CC3)C2)[nH+]1 ZINC000130753901 196107009 /nfs/dbraw/zinc/10/70/09/196107009.db2.gz REMHKMCRFAGNET-RMXPPQQLSA-N 2 1 317.477 3.065 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000130820291 196112839 /nfs/dbraw/zinc/11/28/39/196112839.db2.gz GMQVNEMBBSCAHF-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000130820291 196112840 /nfs/dbraw/zinc/11/28/40/196112840.db2.gz GMQVNEMBBSCAHF-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1 ZINC000130978476 196128739 /nfs/dbraw/zinc/12/87/39/196128739.db2.gz BTOQZVJZURGAQM-HUUCEWRRSA-N 2 1 312.461 3.314 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000247160002 432208050 /nfs/dbraw/zinc/20/80/50/432208050.db2.gz RYUMUGKWZBCPRC-MORSLUCNSA-N 2 1 303.450 3.168 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000247183567 432209701 /nfs/dbraw/zinc/20/97/01/432209701.db2.gz VJKAWBNHAGRGBT-BEFAXECRSA-N 2 1 302.462 3.394 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000247195747 432210942 /nfs/dbraw/zinc/21/09/42/432210942.db2.gz VYQHDXMBLRSGKY-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000247195747 432210945 /nfs/dbraw/zinc/21/09/45/432210945.db2.gz VYQHDXMBLRSGKY-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000151069855 432215558 /nfs/dbraw/zinc/21/55/58/432215558.db2.gz OKGDMUNIIKHGOS-ZOBUZTSGSA-N 2 1 320.477 3.302 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000151069855 432215559 /nfs/dbraw/zinc/21/55/59/432215559.db2.gz OKGDMUNIIKHGOS-ZOBUZTSGSA-N 2 1 320.477 3.302 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000247242267 432215629 /nfs/dbraw/zinc/21/56/29/432215629.db2.gz ZAJNKFJGYVBMEQ-CVEARBPZSA-N 2 1 320.477 3.476 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191132041 432224748 /nfs/dbraw/zinc/22/47/48/432224748.db2.gz URIQTMNVYKCPSU-HNNXBMFYSA-N 2 1 306.498 3.473 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000131575557 196180916 /nfs/dbraw/zinc/18/09/16/196180916.db2.gz RMUFBYMLJDHUAP-QZTJIDSGSA-N 2 1 302.462 3.023 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000151133366 432221626 /nfs/dbraw/zinc/22/16/26/432221626.db2.gz VJKAWBNHAGRGBT-HNAYVOBHSA-N 2 1 302.462 3.394 20 0 DGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000269925839 432222813 /nfs/dbraw/zinc/22/28/13/432222813.db2.gz BUMOKAXVVMSRCE-STQMWFEESA-N 2 1 314.351 3.144 20 0 DGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000269925839 432222818 /nfs/dbraw/zinc/22/28/18/432222818.db2.gz BUMOKAXVVMSRCE-STQMWFEESA-N 2 1 314.351 3.144 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132453459 196257031 /nfs/dbraw/zinc/25/70/31/196257031.db2.gz MHYUQWTVVJRDQQ-ZHALLVOQSA-N 2 1 303.494 3.221 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000134027824 196355193 /nfs/dbraw/zinc/35/51/93/196355193.db2.gz JTHXVYDJDGZFPH-GJZGRUSLSA-N 2 1 309.417 3.117 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791864 287311199 /nfs/dbraw/zinc/31/11/99/287311199.db2.gz SAPIGNDGSVIXHT-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000290588684 221765756 /nfs/dbraw/zinc/76/57/56/221765756.db2.gz VCSBDXQZKRQOJB-SFHVURJKSA-N 2 1 318.461 3.143 20 0 DGADMP OCCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291389902 222360870 /nfs/dbraw/zinc/36/08/70/222360870.db2.gz CLJCYVSMSHARSS-UHFFFAOYSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)([NH+](C)C)C1 ZINC000320458912 287501446 /nfs/dbraw/zinc/50/14/46/287501446.db2.gz DLROXLXYCMXVFH-TUVASFSCSA-N 2 1 322.415 3.196 20 0 DGADMP Cc1cc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302428341 230241975 /nfs/dbraw/zinc/24/19/75/230241975.db2.gz KNQMZNUCEIRBAX-GOSISDBHSA-N 2 1 310.445 3.416 20 0 DGADMP Cc1cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302428341 230241981 /nfs/dbraw/zinc/24/19/81/230241981.db2.gz KNQMZNUCEIRBAX-GOSISDBHSA-N 2 1 310.445 3.416 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000193951384 263804261 /nfs/dbraw/zinc/80/42/61/263804261.db2.gz OHCJRAPTVVFNJG-CEXWTWQISA-N 2 1 314.473 3.056 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000319401096 263899087 /nfs/dbraw/zinc/89/90/87/263899087.db2.gz FQIMYROWFYPKGH-YTQUADARSA-N 2 1 304.478 3.302 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000346334955 264012832 /nfs/dbraw/zinc/01/28/32/264012832.db2.gz XNHPOXWOJFOCKV-SFHVURJKSA-N 2 1 313.445 3.155 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000346334955 264012834 /nfs/dbraw/zinc/01/28/34/264012834.db2.gz XNHPOXWOJFOCKV-SFHVURJKSA-N 2 1 313.445 3.155 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCN(C)[C@H]2C)CC1 ZINC000346348761 264016102 /nfs/dbraw/zinc/01/61/02/264016102.db2.gz YNCDBPYZCSMQGF-NEPXVJNWSA-N 2 1 307.526 3.102 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000346469348 264037595 /nfs/dbraw/zinc/03/75/95/264037595.db2.gz BALLBGIZFIOOQD-APWZRJJASA-N 2 1 302.462 3.117 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346635689 264070651 /nfs/dbraw/zinc/07/06/51/264070651.db2.gz HLVHSQDOIHENOU-JSGCOSHPSA-N 2 1 318.852 3.003 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346663709 264075700 /nfs/dbraw/zinc/07/57/00/264075700.db2.gz CECNXXPYGCQODS-CVEARBPZSA-N 2 1 312.461 3.165 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346668323 264077087 /nfs/dbraw/zinc/07/70/87/264077087.db2.gz IKBZYRKYCSRKJN-NVXWUHKLSA-N 2 1 320.440 3.195 20 0 DGADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])sc1Br ZINC000346684863 264079323 /nfs/dbraw/zinc/07/93/23/264079323.db2.gz RUYAJYSYVFKVPL-UHFFFAOYSA-N 2 1 305.285 3.236 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000346683540 264079332 /nfs/dbraw/zinc/07/93/32/264079332.db2.gz OZGZRKHPWJWMOX-HNNXBMFYSA-N 2 1 318.383 3.433 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1Oc1cccnc1 ZINC000346694025 264081463 /nfs/dbraw/zinc/08/14/63/264081463.db2.gz RIRKLVLRZKMXHD-WBVHZDCISA-N 2 1 311.429 3.351 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000346693298 264081729 /nfs/dbraw/zinc/08/17/29/264081729.db2.gz MDHWUMMTMJXNQI-INIZCTEOSA-N 2 1 304.413 3.021 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1OC(F)F ZINC000346813799 264101872 /nfs/dbraw/zinc/10/18/72/264101872.db2.gz AZVQFLKJTZPFGU-RRFJBIMHSA-N 2 1 310.388 3.074 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]12 ZINC000346814331 264103062 /nfs/dbraw/zinc/10/30/62/264103062.db2.gz ASWMBOFKZRMUAV-AYOQOUSVSA-N 2 1 300.446 3.177 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC(F)F)cc1C ZINC000346821795 264104047 /nfs/dbraw/zinc/10/40/47/264104047.db2.gz DFJOHTMSGQQXJX-QEJZJMRPSA-N 2 1 310.388 3.074 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC(F)F)cc1C ZINC000346821795 264104048 /nfs/dbraw/zinc/10/40/48/264104048.db2.gz DFJOHTMSGQQXJX-QEJZJMRPSA-N 2 1 310.388 3.074 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]21 ZINC000346828778 264104928 /nfs/dbraw/zinc/10/49/28/264104928.db2.gz IRVNEXZYRHUWRW-ARFHVFGLSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]21 ZINC000346828778 264104930 /nfs/dbraw/zinc/10/49/30/264104930.db2.gz IRVNEXZYRHUWRW-ARFHVFGLSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@@H]21 ZINC000346829894 264105260 /nfs/dbraw/zinc/10/52/60/264105260.db2.gz OJVGKQPQIVBSSK-BYCMXARLSA-N 2 1 319.499 3.431 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346848984 264108504 /nfs/dbraw/zinc/10/85/04/264108504.db2.gz GBDKZJVVLUAJJM-VDGAXYAQSA-N 2 1 324.472 3.048 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Oc1cccnc1 ZINC000346856393 264109897 /nfs/dbraw/zinc/10/98/97/264109897.db2.gz VZCRINDKJYDEGD-WDSOQIARSA-N 2 1 323.440 3.351 20 0 DGADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)cc1 ZINC000346885410 264115559 /nfs/dbraw/zinc/11/55/59/264115559.db2.gz RERDUODXFOFIEW-WBVHZDCISA-N 2 1 302.462 3.189 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000346985450 264133625 /nfs/dbraw/zinc/13/36/25/264133625.db2.gz OTAIFNHFPNBGIZ-CABCVRRESA-N 2 1 319.518 3.201 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000347002278 264137358 /nfs/dbraw/zinc/13/73/58/264137358.db2.gz IPJKMXFSGSKEAQ-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000347003372 264137785 /nfs/dbraw/zinc/13/77/85/264137785.db2.gz LBYORTQMWDQHDV-HOTGVXAUSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000347003372 264137788 /nfs/dbraw/zinc/13/77/88/264137788.db2.gz LBYORTQMWDQHDV-HOTGVXAUSA-N 2 1 320.477 3.433 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000347032462 264143699 /nfs/dbraw/zinc/14/36/99/264143699.db2.gz DUXUNRNEGJXQKQ-MAUKXSAKSA-N 2 1 311.429 3.351 20 0 DGADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000347045332 264147124 /nfs/dbraw/zinc/14/71/24/264147124.db2.gz NNXMMNOEDBOEPV-SJPCQFCGSA-N 2 1 318.461 3.199 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000347045332 264147126 /nfs/dbraw/zinc/14/71/26/264147126.db2.gz NNXMMNOEDBOEPV-SJPCQFCGSA-N 2 1 318.461 3.199 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000347062570 264149521 /nfs/dbraw/zinc/14/95/21/264149521.db2.gz ZINXPXDLWMSINY-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347063657 264149819 /nfs/dbraw/zinc/14/98/19/264149819.db2.gz CIBSNHSBIWRVFU-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347063657 264149820 /nfs/dbraw/zinc/14/98/20/264149820.db2.gz CIBSNHSBIWRVFU-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000347062571 264150051 /nfs/dbraw/zinc/15/00/51/264150051.db2.gz ZINXPXDLWMSINY-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP CCC[N@@H+](Cc1ccc(OCC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347075529 264152825 /nfs/dbraw/zinc/15/28/25/264152825.db2.gz UKEJKBDNWFCIHY-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP COC1CC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000347213617 264177631 /nfs/dbraw/zinc/17/76/31/264177631.db2.gz IADJSMIWWZXVMB-VNCLNFNDSA-N 2 1 302.462 3.328 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1Oc1cccnc1 ZINC000347228087 264179339 /nfs/dbraw/zinc/17/93/39/264179339.db2.gz XAJJMDQFSRQTCG-QGZVFWFLSA-N 2 1 311.429 3.353 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000347711970 264271234 /nfs/dbraw/zinc/27/12/34/264271234.db2.gz SSOYSHFFXUVLNC-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000347711970 264271237 /nfs/dbraw/zinc/27/12/37/264271237.db2.gz SSOYSHFFXUVLNC-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccncc1CCC[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000347874315 264299972 /nfs/dbraw/zinc/29/99/72/264299972.db2.gz HHPBRIYVNFPIGA-INIZCTEOSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccncc1CCC[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000347874315 264299975 /nfs/dbraw/zinc/29/99/75/264299975.db2.gz HHPBRIYVNFPIGA-INIZCTEOSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccncc1CCC[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347933587 264309170 /nfs/dbraw/zinc/30/91/70/264309170.db2.gz DZKNCFIENUGJBK-CALCHBBNSA-N 2 1 303.494 3.280 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347946860 264311647 /nfs/dbraw/zinc/31/16/47/264311647.db2.gz ZNEWEEACVLADFE-CZUORRHYSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348088998 264337638 /nfs/dbraw/zinc/33/76/38/264337638.db2.gz TZLUDQCQDJQVTA-MTFMMBMASA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000348100577 264340297 /nfs/dbraw/zinc/34/02/97/264340297.db2.gz GJVUKQCIPMDYJV-ATZDWAIDSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000348100577 264340300 /nfs/dbraw/zinc/34/03/00/264340300.db2.gz GJVUKQCIPMDYJV-ATZDWAIDSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000348113592 264343016 /nfs/dbraw/zinc/34/30/16/264343016.db2.gz XOSOSJMECMOACD-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2cnn(C)c2)CC1)CC(C)C ZINC000348294586 264383952 /nfs/dbraw/zinc/38/39/52/264383952.db2.gz XYYUEYLDGODNDC-UHFFFAOYSA-N 2 1 320.525 3.043 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000348301795 264384700 /nfs/dbraw/zinc/38/47/00/264384700.db2.gz BBCRVMBLIVZYAR-SFTDATJTSA-N 2 1 321.468 3.262 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348320496 264389638 /nfs/dbraw/zinc/38/96/38/264389638.db2.gz NBLSKPQUAJBWRV-NEWSRXKRSA-N 2 1 307.441 3.206 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCC2)o1 ZINC000349468054 264523736 /nfs/dbraw/zinc/52/37/36/264523736.db2.gz XXJCXFGQICCGTG-LJQANCHMSA-N 2 1 319.493 3.046 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429381 265046695 /nfs/dbraw/zinc/04/66/95/265046695.db2.gz BBOMVTWTGQZVKY-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429381 265046698 /nfs/dbraw/zinc/04/66/98/265046698.db2.gz BBOMVTWTGQZVKY-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429381 265046700 /nfs/dbraw/zinc/04/67/00/265046700.db2.gz BBOMVTWTGQZVKY-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429381 265046703 /nfs/dbraw/zinc/04/67/03/265046703.db2.gz BBOMVTWTGQZVKY-PMACEKPBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352520578 265077524 /nfs/dbraw/zinc/07/75/24/265077524.db2.gz ZWDWJWWXBGMPTA-CQSZACIVSA-N 2 1 305.447 3.415 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352520578 265077526 /nfs/dbraw/zinc/07/75/26/265077526.db2.gz ZWDWJWWXBGMPTA-CQSZACIVSA-N 2 1 305.447 3.415 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CCCO1 ZINC000352702605 265134523 /nfs/dbraw/zinc/13/45/23/265134523.db2.gz AAGCJCDTDCDBAQ-ZSQCLPQSSA-N 2 1 324.415 3.069 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352760063 265155717 /nfs/dbraw/zinc/15/57/17/265155717.db2.gz NKWHLWKUSHPPLO-SCOBNMCVSA-N 2 1 305.372 3.409 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)s1 ZINC000352760543 265156553 /nfs/dbraw/zinc/15/65/53/265156553.db2.gz QAYKMEHSLOQLPT-AWEZNQCLSA-N 2 1 323.506 3.176 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2C3CC4CC(C3)CC2C4)s1 ZINC000352772288 265160839 /nfs/dbraw/zinc/16/08/39/265160839.db2.gz PVEYQSTWKNEBBT-UHFFFAOYSA-N 2 1 319.518 3.367 20 0 DGADMP COc1cccc(OC)c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000352814021 265178962 /nfs/dbraw/zinc/17/89/62/265178962.db2.gz JRVJVJQUVGPQEH-MRXNPFEDSA-N 2 1 320.477 3.448 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCC(F)(F)C2)s1 ZINC000352855046 265200659 /nfs/dbraw/zinc/20/06/59/265200659.db2.gz VULVYEUNVSOLRO-NSHDSACASA-N 2 1 303.422 3.120 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCC(F)(F)CC2)s1 ZINC000352858763 265202102 /nfs/dbraw/zinc/20/21/02/265202102.db2.gz PJBVVGKWOVGXAN-UHFFFAOYSA-N 2 1 303.422 3.120 20 0 DGADMP c1ccc(N2CCCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000352969090 265249831 /nfs/dbraw/zinc/24/98/31/265249831.db2.gz QSXRWSJPHBUORE-RBUKOAKNSA-N 2 1 313.489 3.393 20 0 DGADMP C[N@@H+](C[C@@H]1CCC2(CCCCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353153615 265320599 /nfs/dbraw/zinc/32/05/99/265320599.db2.gz ZEDLTVJSZAUBLA-WFFDWFOESA-N 2 1 306.494 3.425 20 0 DGADMP C[NH+](C[C@@H]1CCC2(CCCCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353153615 265320603 /nfs/dbraw/zinc/32/06/03/265320603.db2.gz ZEDLTVJSZAUBLA-WFFDWFOESA-N 2 1 306.494 3.425 20 0 DGADMP C[NH+](C[C@@H]1CCC2(CCCCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353153615 265320607 /nfs/dbraw/zinc/32/06/07/265320607.db2.gz ZEDLTVJSZAUBLA-WFFDWFOESA-N 2 1 306.494 3.425 20 0 DGADMP CCc1nocc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000353301221 265380172 /nfs/dbraw/zinc/38/01/72/265380172.db2.gz HAEFVVVSPUJWCM-UHFFFAOYSA-N 2 1 314.433 3.149 20 0 DGADMP C[C@H]1C[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)CC[N@H+]1C ZINC000182805356 432230292 /nfs/dbraw/zinc/23/02/92/432230292.db2.gz QUUWPIDXDLFDLA-MAUKXSAKSA-N 2 1 319.518 3.130 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000355213413 266002634 /nfs/dbraw/zinc/00/26/34/266002634.db2.gz QNBCJDLRUAFQLS-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000355213413 266002636 /nfs/dbraw/zinc/00/26/36/266002636.db2.gz QNBCJDLRUAFQLS-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000355213413 266002639 /nfs/dbraw/zinc/00/26/39/266002639.db2.gz QNBCJDLRUAFQLS-HKUYNNGSSA-N 2 1 314.473 3.452 20 0 DGADMP CN(c1ccccc1C[N@H+]1CC[C@](C)(F)C1)C1CC[NH+](C)CC1 ZINC000355351535 266047066 /nfs/dbraw/zinc/04/70/66/266047066.db2.gz FOFGJQYFKLMSFS-IBGZPJMESA-N 2 1 319.468 3.151 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)s1 ZINC000355360353 266050296 /nfs/dbraw/zinc/05/02/96/266050296.db2.gz DXKDAMJCUWFIBE-CQSZACIVSA-N 2 1 318.490 3.455 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000355747201 266171000 /nfs/dbraw/zinc/17/10/00/266171000.db2.gz IGQIRDSBOIEWKK-HNNXBMFYSA-N 2 1 310.457 3.333 20 0 DGADMP CN(Cc1cc(-c2ccc(F)cc2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355755979 266174533 /nfs/dbraw/zinc/17/45/33/266174533.db2.gz RFZNODIRIHHDHK-CQSZACIVSA-N 2 1 317.408 3.254 20 0 DGADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151353283 432240152 /nfs/dbraw/zinc/24/01/52/432240152.db2.gz GTCCFUQSKLUYJF-QGZVFWFLSA-N 2 1 318.505 3.383 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000359879516 271007068 /nfs/dbraw/zinc/00/70/68/271007068.db2.gz RWXMCXURVWIJRF-MISYRCLQSA-N 2 1 316.489 3.017 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479336 271026894 /nfs/dbraw/zinc/02/68/94/271026894.db2.gz KZZMYKABIVXCCK-DOMZBBRYSA-N 2 1 324.490 3.148 20 0 DGADMP c1c[nH]c([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614037 271050837 /nfs/dbraw/zinc/05/08/37/271050837.db2.gz GZPQXYRSPNFKIF-PBHICJAKSA-N 2 1 302.466 3.105 20 0 DGADMP CSC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000368024131 271116419 /nfs/dbraw/zinc/11/64/19/271116419.db2.gz SXJRTYRSNNVHIC-CQSZACIVSA-N 2 1 310.532 3.445 20 0 DGADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000368024131 271116423 /nfs/dbraw/zinc/11/64/23/271116423.db2.gz SXJRTYRSNNVHIC-CQSZACIVSA-N 2 1 310.532 3.445 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000368024130 271116886 /nfs/dbraw/zinc/11/68/86/271116886.db2.gz SXJRTYRSNNVHIC-AWEZNQCLSA-N 2 1 310.532 3.445 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000368024130 271116892 /nfs/dbraw/zinc/11/68/92/271116892.db2.gz SXJRTYRSNNVHIC-AWEZNQCLSA-N 2 1 310.532 3.445 20 0 DGADMP Fc1cccc(F)c1C1=CC[N@@H+](CCCn2ccnc2)CC1 ZINC000368697658 271196228 /nfs/dbraw/zinc/19/62/28/271196228.db2.gz AFQKBGNJNZWPNO-UHFFFAOYSA-N 2 1 303.356 3.341 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cnn3ccccc23)C1 ZINC000369035081 271233602 /nfs/dbraw/zinc/23/36/02/271233602.db2.gz CSWHMAHBWJNCDU-APWZRJJASA-N 2 1 320.440 3.259 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cnn3ccccc23)C1 ZINC000369035081 271233606 /nfs/dbraw/zinc/23/36/06/271233606.db2.gz CSWHMAHBWJNCDU-APWZRJJASA-N 2 1 320.440 3.259 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000369588363 271298106 /nfs/dbraw/zinc/29/81/06/271298106.db2.gz ZFDMKZLRKZKBKV-UHFFFAOYSA-N 2 1 302.462 3.240 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC000151553947 432255682 /nfs/dbraw/zinc/25/56/82/432255682.db2.gz YKVNOXZFHMTTEG-QUCCMNQESA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000132351351 273721729 /nfs/dbraw/zinc/72/17/29/273721729.db2.gz SXEWFBFLVDEOKC-IEBWSBKVSA-N 2 1 302.462 3.056 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000294864102 274077922 /nfs/dbraw/zinc/07/79/22/274077922.db2.gz DFHPDRCHMDNEMK-WOJBJXKFSA-N 2 1 316.489 3.194 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC000495259392 274152539 /nfs/dbraw/zinc/15/25/39/274152539.db2.gz LXMXZDKISYPSJY-IEBWSBKVSA-N 2 1 316.489 3.263 20 0 DGADMP CS[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1[NH+](C)C ZINC000340740911 274183086 /nfs/dbraw/zinc/18/30/86/274183086.db2.gz IODBHOYZUWMZMZ-HZPDHXFCSA-N 2 1 321.877 3.370 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+](C)C ZINC000425943855 274225340 /nfs/dbraw/zinc/22/53/40/274225340.db2.gz KEZCNGGMSXDRTH-SMDDNHRTSA-N 2 1 315.383 3.265 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nccc2ccccc21 ZINC000290712407 274250789 /nfs/dbraw/zinc/25/07/89/274250789.db2.gz OAFGTXYBUPRYHO-HUUCEWRRSA-N 2 1 306.413 3.345 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422790094 274256962 /nfs/dbraw/zinc/25/69/62/274256962.db2.gz USLPJGSLYOBKAG-FMKPAKJESA-N 2 1 307.869 3.039 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125617502 274339987 /nfs/dbraw/zinc/33/99/87/274339987.db2.gz NNGSEMDVHRKLCT-LORHWOILSA-N 2 1 319.468 3.113 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCNc3ccccc32)CCCO1 ZINC000278866815 274347932 /nfs/dbraw/zinc/34/79/32/274347932.db2.gz WQIWCXWVCJJTDL-APWZRJJASA-N 2 1 317.477 3.024 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000422897776 274513968 /nfs/dbraw/zinc/51/39/68/274513968.db2.gz CTMBBPQBKJGJKI-URLQWDBASA-N 2 1 311.429 3.313 20 0 DGADMP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000297330049 274881616 /nfs/dbraw/zinc/88/16/16/274881616.db2.gz CTPVFRDRRLJTRP-INIZCTEOSA-N 2 1 319.880 3.135 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000249160825 275053772 /nfs/dbraw/zinc/05/37/72/275053772.db2.gz ZSPWYIRRKFDQEA-RTBURBONSA-N 2 1 314.473 3.066 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)c(OC)c1 ZINC000270573903 432260183 /nfs/dbraw/zinc/26/01/83/432260183.db2.gz BIQFHNHRXZTAES-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)c(OC)c1 ZINC000270573903 432260187 /nfs/dbraw/zinc/26/01/87/432260187.db2.gz BIQFHNHRXZTAES-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP COC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248005431 432260839 /nfs/dbraw/zinc/26/08/39/432260839.db2.gz KULRNZIGTFAKTF-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248005431 432260843 /nfs/dbraw/zinc/26/08/43/432260843.db2.gz KULRNZIGTFAKTF-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248005431 432260847 /nfs/dbraw/zinc/26/08/47/432260847.db2.gz KULRNZIGTFAKTF-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491587868 275769598 /nfs/dbraw/zinc/76/95/98/275769598.db2.gz CKUSZTNBXAFLBZ-INIZCTEOSA-N 2 1 314.477 3.283 20 0 DGADMP CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422988126 275872237 /nfs/dbraw/zinc/87/22/37/275872237.db2.gz IGEXGBCFIYEIHW-CPLYBDICSA-N 2 1 308.510 3.196 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]c2ccc(F)cc2n1C ZINC000431032311 276097999 /nfs/dbraw/zinc/09/79/99/276097999.db2.gz JADODQQFANHPHS-ZDUSSCGKSA-N 2 1 306.429 3.057 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000163766639 276111071 /nfs/dbraw/zinc/11/10/71/276111071.db2.gz CENJLHVIWSXUMJ-XLIONFOSSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000163766639 276111072 /nfs/dbraw/zinc/11/10/72/276111072.db2.gz CENJLHVIWSXUMJ-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000163766639 276111073 /nfs/dbraw/zinc/11/10/73/276111073.db2.gz CENJLHVIWSXUMJ-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)[C@H](C)C1 ZINC000163766639 276111074 /nfs/dbraw/zinc/11/10/74/276111074.db2.gz CENJLHVIWSXUMJ-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000181664492 276194832 /nfs/dbraw/zinc/19/48/32/276194832.db2.gz KQVGMQRDHDLAPD-TXQGORRRSA-N 3 1 307.526 3.102 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000181664492 276194833 /nfs/dbraw/zinc/19/48/33/276194833.db2.gz KQVGMQRDHDLAPD-TXQGORRRSA-N 3 1 307.526 3.102 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000474632399 276272865 /nfs/dbraw/zinc/27/28/65/276272865.db2.gz JWTMNDFLMKAFKY-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000474632399 276272867 /nfs/dbraw/zinc/27/28/67/276272867.db2.gz JWTMNDFLMKAFKY-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000292309698 276306961 /nfs/dbraw/zinc/30/69/61/276306961.db2.gz ANFOSQFPFNHJNX-HKUYNNGSSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000292309698 276306962 /nfs/dbraw/zinc/30/69/62/276306962.db2.gz ANFOSQFPFNHJNX-HKUYNNGSSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000292309698 276306963 /nfs/dbraw/zinc/30/69/63/276306963.db2.gz ANFOSQFPFNHJNX-HKUYNNGSSA-N 2 1 304.478 3.426 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121795782 277031268 /nfs/dbraw/zinc/03/12/68/277031268.db2.gz BAIOKNCNSIJAJI-GOSISDBHSA-N 2 1 300.446 3.073 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000420392612 277267299 /nfs/dbraw/zinc/26/72/99/277267299.db2.gz WBIBNQXMPZFQDX-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000420392612 277267300 /nfs/dbraw/zinc/26/73/00/277267300.db2.gz WBIBNQXMPZFQDX-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541441 277283219 /nfs/dbraw/zinc/28/32/19/277283219.db2.gz PQAALAYWYLBOJX-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541441 277283220 /nfs/dbraw/zinc/28/32/20/277283220.db2.gz PQAALAYWYLBOJX-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000484725398 277897880 /nfs/dbraw/zinc/89/78/80/277897880.db2.gz CUIRWXRBEJNTMS-WCIQWLHISA-N 2 1 316.489 3.173 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000495256613 278034451 /nfs/dbraw/zinc/03/44/51/278034451.db2.gz SYQQBNBCOBSNHR-WMZOPIPTSA-N 2 1 316.489 3.407 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422737854 278046930 /nfs/dbraw/zinc/04/69/30/278046930.db2.gz HTMBHYZYWSKWNK-RDJZCZTQSA-N 2 1 302.462 3.237 20 0 DGADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423227559 278226505 /nfs/dbraw/zinc/22/65/05/278226505.db2.gz WFLSUIZKMLPUIS-FRYIKTPZSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423227559 278226506 /nfs/dbraw/zinc/22/65/06/278226506.db2.gz WFLSUIZKMLPUIS-FRYIKTPZSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423227559 278226507 /nfs/dbraw/zinc/22/65/07/278226507.db2.gz WFLSUIZKMLPUIS-FRYIKTPZSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422842299 278282906 /nfs/dbraw/zinc/28/29/06/278282906.db2.gz XZEHTZMUQNIECC-BQFCYCMXSA-N 2 1 324.472 3.198 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449593069 278350644 /nfs/dbraw/zinc/35/06/44/278350644.db2.gz UINXWFUVYKREQJ-GSEOLPGOSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423060613 278353054 /nfs/dbraw/zinc/35/30/54/278353054.db2.gz IPUIXOKPUKUQKO-FOIQADDNSA-N 2 1 324.472 3.055 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423034419 279256160 /nfs/dbraw/zinc/25/61/60/279256160.db2.gz PXCVPBRAGNAQCD-BTHPGYMESA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427714926 279258135 /nfs/dbraw/zinc/25/81/35/279258135.db2.gz NVWYAOMWWKKCRQ-IAQYHMDHSA-N 2 1 315.383 3.408 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414777763 279320462 /nfs/dbraw/zinc/32/04/62/279320462.db2.gz YJJVDDPXKRRTFN-INWMFGNUSA-N 2 1 312.379 3.493 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188142078 279346408 /nfs/dbraw/zinc/34/64/08/279346408.db2.gz SOZTYFOXIIDBRP-GFCCVEGCSA-N 2 1 300.368 3.493 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000261777209 279371854 /nfs/dbraw/zinc/37/18/54/279371854.db2.gz RLQCYGLKTARYAR-KURKYZTESA-N 2 1 319.493 3.317 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000340164643 279455892 /nfs/dbraw/zinc/45/58/92/279455892.db2.gz HSMQKYGVVKZNDT-LPHOPBHVSA-N 2 1 302.462 3.198 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000076003223 431514434 /nfs/dbraw/zinc/51/44/34/431514434.db2.gz WRDXOOGKDRUKTK-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000076003223 431514438 /nfs/dbraw/zinc/51/44/38/431514438.db2.gz WRDXOOGKDRUKTK-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C)c1 ZINC000285499934 280186497 /nfs/dbraw/zinc/18/64/97/280186497.db2.gz ADLUQHPLSRNQNU-RTBURBONSA-N 2 1 304.478 3.273 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000119348811 431681483 /nfs/dbraw/zinc/68/14/83/431681483.db2.gz LZGUWENFPGNXGE-UXHICEINSA-N 2 1 316.489 3.089 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCc2c(Br)cccc2C1 ZINC000120158289 431724650 /nfs/dbraw/zinc/72/46/50/431724650.db2.gz KVTJMRKOMLQBGC-AWEZNQCLSA-N 2 1 323.278 3.292 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121132079 431747175 /nfs/dbraw/zinc/74/71/75/431747175.db2.gz XDBMSYBFLZLCBD-PXNSSMCTSA-N 2 1 316.489 3.338 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccoc2C(=O)OC)CC1 ZINC000079914916 431749830 /nfs/dbraw/zinc/74/98/30/431749830.db2.gz AIYDQSQZKYYJCW-UHFFFAOYSA-N 2 1 322.449 3.010 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccoc2C(=O)OC)CC1 ZINC000079914916 431749836 /nfs/dbraw/zinc/74/98/36/431749836.db2.gz AIYDQSQZKYYJCW-UHFFFAOYSA-N 2 1 322.449 3.010 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000079914903 431750467 /nfs/dbraw/zinc/75/04/67/431750467.db2.gz SDAOJRHLFUXMDZ-UHFFFAOYSA-N 2 1 314.477 3.278 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121245795 431758050 /nfs/dbraw/zinc/75/80/50/431758050.db2.gz FMIHINAWTCFHLR-APAFKAMOSA-N 2 1 320.521 3.292 20 0 DGADMP Cc1cnccc1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000121411499 431784355 /nfs/dbraw/zinc/78/43/55/431784355.db2.gz JYRYVWCTQKJPIS-KRWDZBQOSA-N 2 1 324.428 3.176 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CC=CCC3)CC2)oc1C ZINC000122738724 431843633 /nfs/dbraw/zinc/84/36/33/431843633.db2.gz MALYYWLTFPVXOD-KRWDZBQOSA-N 2 1 317.477 3.449 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000037643859 431848514 /nfs/dbraw/zinc/84/85/14/431848514.db2.gz PJBLYZNIBOLKIL-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000037643859 431848516 /nfs/dbraw/zinc/84/85/16/431848516.db2.gz PJBLYZNIBOLKIL-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000122976323 431850732 /nfs/dbraw/zinc/85/07/32/431850732.db2.gz DMCMFWRIJICRAW-CQSZACIVSA-N 2 1 304.434 3.330 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123031370 431852117 /nfs/dbraw/zinc/85/21/17/431852117.db2.gz VNZXQUPNVCHCAJ-RBUKOAKNSA-N 2 1 316.489 3.269 20 0 DGADMP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000123530953 431867435 /nfs/dbraw/zinc/86/74/35/431867435.db2.gz FHSQWPADPNTWRF-LJQANCHMSA-N 2 1 302.462 3.107 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000089516745 431868592 /nfs/dbraw/zinc/86/85/92/431868592.db2.gz PNKLLRKLMLPXSP-QAPCUYQASA-N 2 1 304.478 3.293 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000125436768 431925380 /nfs/dbraw/zinc/92/53/80/431925380.db2.gz MSDUCGWNFNMHCY-KZNAEPCWSA-N 2 1 301.478 3.036 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000125436768 431925383 /nfs/dbraw/zinc/92/53/83/431925383.db2.gz MSDUCGWNFNMHCY-KZNAEPCWSA-N 2 1 301.478 3.036 20 0 DGADMP CCC(CC)[C@@H](C[NH2+]C1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000124141285 431884364 /nfs/dbraw/zinc/88/43/64/431884364.db2.gz MQANCMINSUVTJJ-GOSISDBHSA-N 2 1 318.509 3.006 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124562492 431898021 /nfs/dbraw/zinc/89/80/21/431898021.db2.gz MBWHYJJPHKWLJU-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124562492 431898025 /nfs/dbraw/zinc/89/80/25/431898025.db2.gz MBWHYJJPHKWLJU-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000091081839 431901439 /nfs/dbraw/zinc/90/14/39/431901439.db2.gz BYQITEKMGXIAMG-MRXNPFEDSA-N 2 1 301.438 3.149 20 0 DGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000091081839 431901442 /nfs/dbraw/zinc/90/14/42/431901442.db2.gz BYQITEKMGXIAMG-MRXNPFEDSA-N 2 1 301.438 3.149 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127450064 431972228 /nfs/dbraw/zinc/97/22/28/431972228.db2.gz OHCAWAQGYCRNQM-HNNXBMFYSA-N 2 1 317.458 3.381 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127450064 431972230 /nfs/dbraw/zinc/97/22/30/431972230.db2.gz OHCAWAQGYCRNQM-HNNXBMFYSA-N 2 1 317.458 3.381 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000127453099 431972531 /nfs/dbraw/zinc/97/25/31/431972531.db2.gz YFNHLNFREHFXNI-QGZVFWFLSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000127453099 431972533 /nfs/dbraw/zinc/97/25/33/431972533.db2.gz YFNHLNFREHFXNI-QGZVFWFLSA-N 2 1 304.482 3.042 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1cccs1 ZINC000127515165 431973912 /nfs/dbraw/zinc/97/39/12/431973912.db2.gz NQAXOAZEHRFMDH-NVXWUHKLSA-N 2 1 306.475 3.067 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000125523482 431928599 /nfs/dbraw/zinc/92/85/99/431928599.db2.gz XRDSAZVUOCXVDI-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000125523482 431928600 /nfs/dbraw/zinc/92/86/00/431928600.db2.gz XRDSAZVUOCXVDI-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cn1 ZINC000126469898 431950395 /nfs/dbraw/zinc/95/03/95/431950395.db2.gz ZHNNCOUFZOIRTR-OAHLLOKOSA-N 2 1 314.433 3.011 20 0 DGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126482594 431951693 /nfs/dbraw/zinc/95/16/93/431951693.db2.gz CLCCGZACTUHVQJ-IBGZPJMESA-N 2 1 321.484 3.235 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000051756225 431953326 /nfs/dbraw/zinc/95/33/26/431953326.db2.gz BDZOPDKGIHBIJV-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126909037 431960483 /nfs/dbraw/zinc/96/04/83/431960483.db2.gz PTWANBZHMALZPN-JKSUJKDBSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126909037 431960485 /nfs/dbraw/zinc/96/04/85/431960485.db2.gz PTWANBZHMALZPN-JKSUJKDBSA-N 2 1 322.518 3.365 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC3 ZINC000493232863 281035447 /nfs/dbraw/zinc/03/54/47/281035447.db2.gz SSUBKKUAALPRLH-ARFHVFGLSA-N 2 1 311.473 3.406 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC3 ZINC000493232863 281035448 /nfs/dbraw/zinc/03/54/48/281035448.db2.gz SSUBKKUAALPRLH-ARFHVFGLSA-N 2 1 311.473 3.406 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)CC3 ZINC000415063905 281036549 /nfs/dbraw/zinc/03/65/49/281036549.db2.gz JAPLSVUVSQQFON-FOIQADDNSA-N 2 1 311.473 3.441 20 0 DGADMP CC[C@](C)([NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1)c1nccs1 ZINC000420322142 281289086 /nfs/dbraw/zinc/28/90/86/281289086.db2.gz SGDYMZSPYNVXRE-YOEHRIQHSA-N 2 1 319.474 3.109 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC000248148704 432271770 /nfs/dbraw/zinc/27/17/70/432271770.db2.gz QMLJWQURJNAKJQ-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC000248148704 432271772 /nfs/dbraw/zinc/27/17/72/432271772.db2.gz QMLJWQURJNAKJQ-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC000248148704 432271775 /nfs/dbraw/zinc/27/17/75/432271775.db2.gz QMLJWQURJNAKJQ-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000191512993 432272300 /nfs/dbraw/zinc/27/23/00/432272300.db2.gz GNWZRXWZMOBOEZ-QRVBRYPASA-N 2 1 307.526 3.056 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248402639 432285505 /nfs/dbraw/zinc/28/55/05/432285505.db2.gz NNTCSMCHQDBGNI-VBSBHUPXSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248464992 432295200 /nfs/dbraw/zinc/29/52/00/432295200.db2.gz ZUBNSUANAOFMRI-OXJNMPFZSA-N 2 1 310.441 3.104 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)[NH+]1CCCCC1 ZINC000248492913 432296244 /nfs/dbraw/zinc/29/62/44/432296244.db2.gz OXLUMQXBMMPGEB-ZMPRRUGASA-N 2 1 322.518 3.339 20 0 DGADMP CC1CC[NH+](CCC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000102420224 431993787 /nfs/dbraw/zinc/99/37/87/431993787.db2.gz OKTDZVILMDHHOG-UHFFFAOYSA-N 2 1 300.446 3.174 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000128562344 431996043 /nfs/dbraw/zinc/99/60/43/431996043.db2.gz FHMSUMPXVYZQDS-HNNXBMFYSA-N 2 1 309.885 3.018 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248009958 432261373 /nfs/dbraw/zinc/26/13/73/432261373.db2.gz LDZUPKYTHORDKE-ZWKOTPCHSA-N 2 1 308.441 3.103 20 0 DGADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000248026683 432263066 /nfs/dbraw/zinc/26/30/66/432263066.db2.gz PHGOIQIBSGYXIJ-RDJZCZTQSA-N 2 1 320.477 3.099 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000270601055 432264160 /nfs/dbraw/zinc/26/41/60/432264160.db2.gz GWTYQKMETJTQQI-QGZVFWFLSA-N 2 1 301.409 3.285 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000270601055 432264163 /nfs/dbraw/zinc/26/41/63/432264163.db2.gz GWTYQKMETJTQQI-QGZVFWFLSA-N 2 1 301.409 3.285 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)[C@@H](C)C1 ZINC000248039178 432264275 /nfs/dbraw/zinc/26/42/75/432264275.db2.gz SHQCENRJJPRZPC-XIRDDKMYSA-N 2 1 308.466 3.376 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)[C@@H](C)C1 ZINC000248039178 432264277 /nfs/dbraw/zinc/26/42/77/432264277.db2.gz SHQCENRJJPRZPC-XIRDDKMYSA-N 2 1 308.466 3.376 20 0 DGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(CO)c1 ZINC000183184294 432267445 /nfs/dbraw/zinc/26/74/45/432267445.db2.gz PRQVIHZDOHXISO-GPMSIDNRSA-N 2 1 316.489 3.483 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(CO)c1 ZINC000183184214 432267962 /nfs/dbraw/zinc/26/79/62/432267962.db2.gz PRQVIHZDOHXISO-TXPKVOOTSA-N 2 1 316.489 3.483 20 0 DGADMP OCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248990105 432332781 /nfs/dbraw/zinc/33/27/81/432332781.db2.gz NDEQJSHYIAMNOY-OWZKRDHZSA-N 2 1 316.489 3.324 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(CO)CC1 ZINC000184069830 432352294 /nfs/dbraw/zinc/35/22/94/432352294.db2.gz WAWJNIHSWRKZCU-UHFFFAOYSA-N 2 1 318.505 3.239 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738969 432314433 /nfs/dbraw/zinc/31/44/33/432314433.db2.gz POWNRMKVHMTIOA-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738969 432314438 /nfs/dbraw/zinc/31/44/38/432314438.db2.gz POWNRMKVHMTIOA-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738969 432314442 /nfs/dbraw/zinc/31/44/42/432314442.db2.gz POWNRMKVHMTIOA-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738969 432314447 /nfs/dbraw/zinc/31/44/47/432314447.db2.gz POWNRMKVHMTIOA-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000192439107 432373405 /nfs/dbraw/zinc/37/34/05/432373405.db2.gz DEWSDSRMCPTYAD-DAWZGUTISA-N 2 1 324.509 3.064 20 0 DGADMP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000192476419 432378614 /nfs/dbraw/zinc/37/86/14/432378614.db2.gz LCFUYPYFRYUIPA-ABSDTBQOSA-N 2 1 316.489 3.433 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOc2ccc(OCC)cc2)C1 ZINC000174969893 432384965 /nfs/dbraw/zinc/38/49/65/432384965.db2.gz QNYKRDNEIZLAOP-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OCC)cc2)C1 ZINC000174969893 432384971 /nfs/dbraw/zinc/38/49/71/432384971.db2.gz QNYKRDNEIZLAOP-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OCC)cc2)C1 ZINC000174969893 432384975 /nfs/dbraw/zinc/38/49/75/432384975.db2.gz QNYKRDNEIZLAOP-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(OCC)cc2)C1 ZINC000174969893 432384981 /nfs/dbraw/zinc/38/49/81/432384981.db2.gz QNYKRDNEIZLAOP-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(OCC)cc2)C1 ZINC000174969893 432384984 /nfs/dbraw/zinc/38/49/84/432384984.db2.gz QNYKRDNEIZLAOP-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000153220372 432391986 /nfs/dbraw/zinc/39/19/86/432391986.db2.gz MHUPGWDZKSOAIL-QAPCUYQASA-N 2 1 302.462 3.244 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000153251495 432395492 /nfs/dbraw/zinc/39/54/92/432395492.db2.gz MZEWVYWZOAEUOO-UHFFFAOYSA-N 2 1 320.480 3.451 20 0 DGADMP CCOc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000153365881 432402230 /nfs/dbraw/zinc/40/22/30/432402230.db2.gz VNWSERWXLXKWCO-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000153365881 432402236 /nfs/dbraw/zinc/40/22/36/432402236.db2.gz VNWSERWXLXKWCO-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000153365881 432402239 /nfs/dbraw/zinc/40/22/39/432402239.db2.gz VNWSERWXLXKWCO-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000153365881 432402244 /nfs/dbraw/zinc/40/22/44/432402244.db2.gz VNWSERWXLXKWCO-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCO2 ZINC000192717723 432405542 /nfs/dbraw/zinc/40/55/42/432405542.db2.gz MOICNLSVYDPEDS-NPYXIHBLSA-N 2 1 316.445 3.124 20 0 DGADMP CC(C)CSCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000152815855 432358950 /nfs/dbraw/zinc/35/89/50/432358950.db2.gz KJFAXXUSZYUJAN-UHFFFAOYSA-N 2 1 309.523 3.454 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174628723 432360500 /nfs/dbraw/zinc/36/05/00/432360500.db2.gz DCWHTBYFPOCGDJ-PWSUYJOCSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174628723 432360505 /nfs/dbraw/zinc/36/05/05/432360505.db2.gz DCWHTBYFPOCGDJ-PWSUYJOCSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261547325 432430219 /nfs/dbraw/zinc/43/02/19/432430219.db2.gz MCQRELBOVIQEAK-HXUWFJFHSA-N 2 1 310.441 3.436 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000261552561 432431383 /nfs/dbraw/zinc/43/13/83/432431383.db2.gz NAOUQNXZGDJUFG-OAQYLSRUSA-N 2 1 322.452 3.451 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000261552561 432431386 /nfs/dbraw/zinc/43/13/86/432431386.db2.gz NAOUQNXZGDJUFG-OAQYLSRUSA-N 2 1 322.452 3.451 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261544239 432431564 /nfs/dbraw/zinc/43/15/64/432431564.db2.gz IRQKFGOEZOJMDU-XPGWFJOJSA-N 2 1 309.457 3.241 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261583775 432432699 /nfs/dbraw/zinc/43/26/99/432432699.db2.gz RYPQCQQGMUJOOQ-BQPHKTIFSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261583775 432432700 /nfs/dbraw/zinc/43/27/00/432432700.db2.gz RYPQCQQGMUJOOQ-BQPHKTIFSA-N 2 1 309.251 3.179 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261625178 432434694 /nfs/dbraw/zinc/43/46/94/432434694.db2.gz AOLDIKWBQVWGTA-MPKXVKKWSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261625178 432434698 /nfs/dbraw/zinc/43/46/98/432434698.db2.gz AOLDIKWBQVWGTA-MPKXVKKWSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261625184 432435474 /nfs/dbraw/zinc/43/54/74/432435474.db2.gz AOLDIKWBQVWGTA-VHRBIJSZSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261625184 432435477 /nfs/dbraw/zinc/43/54/77/432435477.db2.gz AOLDIKWBQVWGTA-VHRBIJSZSA-N 2 1 315.244 3.041 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261917269 432459254 /nfs/dbraw/zinc/45/92/54/432459254.db2.gz JZPJTUBTWBCSOC-NVXWUHKLSA-N 2 1 310.445 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153813105 432444300 /nfs/dbraw/zinc/44/43/00/432444300.db2.gz PUXFVDKOTKNICK-SCQOQHIRSA-N 2 1 316.489 3.473 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)cs2)C[C@H](C)O1 ZINC000193064451 432445226 /nfs/dbraw/zinc/44/52/26/432445226.db2.gz SYZLEDZDVNENCN-BETUJISGSA-N 2 1 316.898 3.381 20 0 DGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000261745225 432445933 /nfs/dbraw/zinc/44/59/33/432445933.db2.gz PPUNRXZLONAJHF-QGZVFWFLSA-N 2 1 307.869 3.111 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000261745225 432445934 /nfs/dbraw/zinc/44/59/34/432445934.db2.gz PPUNRXZLONAJHF-QGZVFWFLSA-N 2 1 307.869 3.111 20 0 DGADMP COCc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261777727 432449554 /nfs/dbraw/zinc/44/95/54/432449554.db2.gz JWIONHILVYUXMQ-UXHICEINSA-N 2 1 310.441 3.007 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@H]12 ZINC000261802110 432451625 /nfs/dbraw/zinc/45/16/25/432451625.db2.gz HBDHAZPDPVXYBG-XOKHGSTOSA-N 2 1 320.864 3.298 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@H]12 ZINC000261802110 432451630 /nfs/dbraw/zinc/45/16/30/432451630.db2.gz HBDHAZPDPVXYBG-XOKHGSTOSA-N 2 1 320.864 3.298 20 0 DGADMP C[C@@H](NCc1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148383 432452163 /nfs/dbraw/zinc/45/21/63/432452163.db2.gz CVDBGGDUFSXSNE-GDBMZVCRSA-N 2 1 301.459 3.143 20 0 DGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000261823172 432453140 /nfs/dbraw/zinc/45/31/40/432453140.db2.gz IOAQWFWMMZCUBN-MRXNPFEDSA-N 2 1 317.477 3.034 20 0 DGADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192771327 432411399 /nfs/dbraw/zinc/41/13/99/432411399.db2.gz ZNEUZLOOAKMSFD-OALUTQOASA-N 2 1 309.542 3.303 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153599398 432424981 /nfs/dbraw/zinc/42/49/81/432424981.db2.gz SPRHDZNJNJGBGJ-MJGOQNOKSA-N 2 1 316.489 3.055 20 0 DGADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262095396 432472892 /nfs/dbraw/zinc/47/28/92/432472892.db2.gz VBSHUNOODAJFJK-QGZVFWFLSA-N 2 1 301.821 3.074 20 0 DGADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262095396 432472895 /nfs/dbraw/zinc/47/28/95/432472895.db2.gz VBSHUNOODAJFJK-QGZVFWFLSA-N 2 1 301.821 3.074 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000262071174 432473752 /nfs/dbraw/zinc/47/37/52/432473752.db2.gz SAWJIBRADQPLCK-GOSISDBHSA-N 2 1 313.470 3.304 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000262071174 432473757 /nfs/dbraw/zinc/47/37/57/432473757.db2.gz SAWJIBRADQPLCK-GOSISDBHSA-N 2 1 313.470 3.304 20 0 DGADMP CCOc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OC(F)F ZINC000262091242 432473782 /nfs/dbraw/zinc/47/37/82/432473782.db2.gz IAROXEFRNRSMQO-UHFFFAOYSA-N 2 1 316.392 3.103 20 0 DGADMP CCC[C@@](C)([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000262095464 432474225 /nfs/dbraw/zinc/47/42/25/432474225.db2.gz BOHVVBJHOYHFGA-VQIMIIECSA-N 2 1 323.525 3.007 20 0 DGADMP CCC[N@H+](Cc1nn(CC)c2ccccc12)C1CC[NH2+]CC1 ZINC000262135821 432475771 /nfs/dbraw/zinc/47/57/71/432475771.db2.gz LZCDTXAGWNNKLA-UHFFFAOYSA-N 2 1 300.450 3.020 20 0 DGADMP CCC[N@@H+](Cc1nn(CC)c2ccccc12)C1CC[NH2+]CC1 ZINC000262135821 432475777 /nfs/dbraw/zinc/47/57/77/432475777.db2.gz LZCDTXAGWNNKLA-UHFFFAOYSA-N 2 1 300.450 3.020 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000185191509 432476649 /nfs/dbraw/zinc/47/66/49/432476649.db2.gz DRMAYTZWMRBAJK-UHFFFAOYSA-N 2 1 308.429 3.351 20 0 DGADMP C[C@@H](Nc1ncnc2[nH]ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321391 432480790 /nfs/dbraw/zinc/48/07/90/432480790.db2.gz UCDUEGHSTHXBNJ-ZBFHGGJFSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272321391 432480793 /nfs/dbraw/zinc/48/07/93/432480793.db2.gz UCDUEGHSTHXBNJ-ZBFHGGJFSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321391 432480796 /nfs/dbraw/zinc/48/07/96/432480796.db2.gz UCDUEGHSTHXBNJ-ZBFHGGJFSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272326984 432482841 /nfs/dbraw/zinc/48/28/41/432482841.db2.gz MDVFBWPVDVRFHA-ZWOKBUDYSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272326976 432482914 /nfs/dbraw/zinc/48/29/14/432482914.db2.gz MDVFBWPVDVRFHA-ABSDTBQOSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000185273005 432485900 /nfs/dbraw/zinc/48/59/00/432485900.db2.gz AQLYKXZGLFGOPT-GDBMZVCRSA-N 2 1 320.452 3.087 20 0 DGADMP CCC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272422063 432498716 /nfs/dbraw/zinc/49/87/16/432498716.db2.gz OACCQDDVSQFNOZ-IYWMVGAKSA-N 2 1 316.489 3.323 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCCO2)C3)cc1 ZINC000272426992 432500792 /nfs/dbraw/zinc/50/07/92/432500792.db2.gz PJBVYPKAGPQYTL-IYWMVGAKSA-N 2 1 314.473 3.341 20 0 DGADMP Cc1cccnc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442918 432502040 /nfs/dbraw/zinc/50/20/40/432502040.db2.gz ITUMWPQKEXTWMF-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272442918 432502045 /nfs/dbraw/zinc/50/20/45/432502045.db2.gz ITUMWPQKEXTWMF-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442918 432502047 /nfs/dbraw/zinc/50/20/47/432502047.db2.gz ITUMWPQKEXTWMF-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP CO[C@H](C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272439897 432502403 /nfs/dbraw/zinc/50/24/03/432502403.db2.gz SUZCDSLPYTZSOF-OQIJWPOYSA-N 2 1 302.462 3.197 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487152 432510866 /nfs/dbraw/zinc/51/08/66/432510866.db2.gz MRDBASOMDSGOCM-KSSFIOAISA-N 2 1 313.445 3.292 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272487152 432510869 /nfs/dbraw/zinc/51/08/69/432510869.db2.gz MRDBASOMDSGOCM-KSSFIOAISA-N 2 1 313.445 3.292 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153989772 432462501 /nfs/dbraw/zinc/46/25/01/432462501.db2.gz LFYHTQZVRGBZKT-OTWHNJEPSA-N 2 1 315.505 3.238 20 0 DGADMP COC1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000273161473 432560140 /nfs/dbraw/zinc/56/01/40/432560140.db2.gz KPPMVWNUXRXQEE-YUKKFIBKSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248832881 288361935 /nfs/dbraw/zinc/36/19/35/288361935.db2.gz FTKGZQVPTSTCCH-PNBKFKSVSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248832881 288361936 /nfs/dbraw/zinc/36/19/36/288361936.db2.gz FTKGZQVPTSTCCH-PNBKFKSVSA-N 2 1 308.491 3.146 20 0 DGADMP COC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969099 432513466 /nfs/dbraw/zinc/51/34/66/432513466.db2.gz SULYSRJFEQMTAK-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969099 432513469 /nfs/dbraw/zinc/51/34/69/432513469.db2.gz SULYSRJFEQMTAK-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969099 432513473 /nfs/dbraw/zinc/51/34/73/432513473.db2.gz SULYSRJFEQMTAK-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@H]([NH2+]Cc1cc(O)cc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185622691 432516518 /nfs/dbraw/zinc/51/65/18/432516518.db2.gz IKLXBJWBRXGGKM-DZGCQCFKSA-N 2 1 306.425 3.274 20 0 DGADMP C[C@H]([NH2+]Cc1cc(O)cc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185622691 432516521 /nfs/dbraw/zinc/51/65/21/432516521.db2.gz IKLXBJWBRXGGKM-DZGCQCFKSA-N 2 1 306.425 3.274 20 0 DGADMP C[C@@H]1C[C@H](NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686121 432604942 /nfs/dbraw/zinc/60/49/42/432604942.db2.gz BNINJAFPIVTWCY-QZTJIDSGSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135884 432607569 /nfs/dbraw/zinc/60/75/69/432607569.db2.gz YERRLHSTVGMRML-WBVHZDCISA-N 2 1 313.420 3.393 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135884 432607571 /nfs/dbraw/zinc/60/75/71/432607571.db2.gz YERRLHSTVGMRML-WBVHZDCISA-N 2 1 313.420 3.393 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135875 432607918 /nfs/dbraw/zinc/60/79/18/432607918.db2.gz YERRLHSTVGMRML-RDJZCZTQSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135875 432607922 /nfs/dbraw/zinc/60/79/22/432607922.db2.gz YERRLHSTVGMRML-RDJZCZTQSA-N 2 1 313.420 3.393 20 0 DGADMP C[NH+]1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000177337771 432612760 /nfs/dbraw/zinc/61/27/60/432612760.db2.gz ZZCJAPILQOBZME-IBGZPJMESA-N 2 1 302.462 3.155 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617299 432613353 /nfs/dbraw/zinc/61/33/53/432613353.db2.gz ZVUZGDQRIKICRS-HSMVNMDESA-N 2 1 308.853 3.093 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617299 432613354 /nfs/dbraw/zinc/61/33/54/432613354.db2.gz ZVUZGDQRIKICRS-HSMVNMDESA-N 2 1 308.853 3.093 20 0 DGADMP Cc1ccc2c(CC[NH2+]Cc3c[nH+]ccc3N(C)C)c[nH]c2c1 ZINC000273590049 432614764 /nfs/dbraw/zinc/61/47/64/432614764.db2.gz JPQJUYBOGNQZMA-UHFFFAOYSA-N 2 1 308.429 3.270 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000186371721 432588182 /nfs/dbraw/zinc/58/81/82/432588182.db2.gz KWBQWRKUAYURNB-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@H+]1CC[C@H](NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000156204285 432591058 /nfs/dbraw/zinc/59/10/58/432591058.db2.gz DQTVWKDMCAXQEG-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000156204285 432591062 /nfs/dbraw/zinc/59/10/62/432591062.db2.gz DQTVWKDMCAXQEG-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000156204285 432591065 /nfs/dbraw/zinc/59/10/65/432591065.db2.gz DQTVWKDMCAXQEG-GGPKGHCWSA-N 2 1 317.521 3.217 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000156204285 432591072 /nfs/dbraw/zinc/59/10/72/432591072.db2.gz DQTVWKDMCAXQEG-GGPKGHCWSA-N 3 1 317.521 3.217 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000156204285 432591076 /nfs/dbraw/zinc/59/10/76/432591076.db2.gz DQTVWKDMCAXQEG-GGPKGHCWSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000156204285 432591080 /nfs/dbraw/zinc/59/10/80/432591080.db2.gz DQTVWKDMCAXQEG-GGPKGHCWSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000156204285 432591084 /nfs/dbraw/zinc/59/10/84/432591084.db2.gz DQTVWKDMCAXQEG-GGPKGHCWSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186405870 432592283 /nfs/dbraw/zinc/59/22/83/432592283.db2.gz HSAHOHJIGYSGCV-UHFFFAOYSA-N 2 1 306.450 3.153 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000273461147 432600746 /nfs/dbraw/zinc/60/07/46/432600746.db2.gz QKZBIKKAQXCWCH-NKGKWGDASA-N 2 1 306.425 3.118 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000273461147 432600753 /nfs/dbraw/zinc/60/07/53/432600753.db2.gz QKZBIKKAQXCWCH-NKGKWGDASA-N 2 1 306.425 3.118 20 0 DGADMP C[C@H]1C[C@H](NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686241 432604752 /nfs/dbraw/zinc/60/47/52/432604752.db2.gz BNINJAFPIVTWCY-ZWKOTPCHSA-N 2 1 307.526 3.248 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000157922187 432632808 /nfs/dbraw/zinc/63/28/08/432632808.db2.gz JYKYBHRCJPHSHB-GJZGRUSLSA-N 2 1 304.482 3.256 20 0 DGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158227500 432640588 /nfs/dbraw/zinc/64/05/88/432640588.db2.gz YYQLGFDGAWGMJE-FUHWJXTLSA-N 2 1 302.462 3.449 20 0 DGADMP Brc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000274334646 432652793 /nfs/dbraw/zinc/65/27/93/432652793.db2.gz GTMMWOCSRAGEDO-CVEARBPZSA-N 2 1 323.278 3.208 20 0 DGADMP CC(C)[NH+]1CCC(N(C)c2cc[nH+]cc2Br)CC1 ZINC000274711554 432700763 /nfs/dbraw/zinc/70/07/63/432700763.db2.gz AEIFEFDSUVLPFB-UHFFFAOYSA-N 2 1 312.255 3.153 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000274849598 432716340 /nfs/dbraw/zinc/71/63/40/432716340.db2.gz QTPJSSBBOQGYSA-LAUBAEHRSA-N 2 1 324.468 3.179 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@H]21 ZINC000228475388 432718573 /nfs/dbraw/zinc/71/85/73/432718573.db2.gz RVZFHJTVHQKLOT-NILFDRSVSA-N 2 1 319.499 3.431 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@H]21 ZINC000228475388 432718576 /nfs/dbraw/zinc/71/85/76/432718576.db2.gz RVZFHJTVHQKLOT-NILFDRSVSA-N 2 1 319.499 3.431 20 0 DGADMP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937804 432720364 /nfs/dbraw/zinc/72/03/64/432720364.db2.gz SKONAIZZTNIGAP-IOMROCGXSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937804 432720367 /nfs/dbraw/zinc/72/03/67/432720367.db2.gz SKONAIZZTNIGAP-IOMROCGXSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006454 432723141 /nfs/dbraw/zinc/72/31/41/432723141.db2.gz LYLVCCAHMAYBEO-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006454 432723145 /nfs/dbraw/zinc/72/31/45/432723145.db2.gz LYLVCCAHMAYBEO-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006454 432723149 /nfs/dbraw/zinc/72/31/49/432723149.db2.gz LYLVCCAHMAYBEO-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006454 432723150 /nfs/dbraw/zinc/72/31/50/432723150.db2.gz LYLVCCAHMAYBEO-DOMZBBRYSA-N 2 1 300.368 3.477 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCOC1 ZINC000159238775 432676113 /nfs/dbraw/zinc/67/61/13/432676113.db2.gz XKRITGJLLACLDC-FHWLQOOXSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000187766431 432683099 /nfs/dbraw/zinc/68/30/99/432683099.db2.gz XIEQRMRLPWUUFK-LJQANCHMSA-N 2 1 321.484 3.284 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000275784966 432748089 /nfs/dbraw/zinc/74/80/89/432748089.db2.gz WKURUJFFHJQBLF-NEWSRXKRSA-N 2 1 300.446 3.179 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1OC(C)C ZINC000236674802 432754698 /nfs/dbraw/zinc/75/46/98/432754698.db2.gz BDSXJWPXSXAXKE-HNNXBMFYSA-N 2 1 301.434 3.405 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccoc1 ZINC000178617174 432758375 /nfs/dbraw/zinc/75/83/75/432758375.db2.gz FCUFBFNJTFXIIQ-HOTGVXAUSA-N 2 1 314.429 3.351 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccoc1 ZINC000178617174 432758380 /nfs/dbraw/zinc/75/83/80/432758380.db2.gz FCUFBFNJTFXIIQ-HOTGVXAUSA-N 2 1 314.429 3.351 20 0 DGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275548628 432728299 /nfs/dbraw/zinc/72/82/99/432728299.db2.gz NFWYQOGKVWJPOT-ABAIWWIYSA-N 2 1 303.356 3.001 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccsc1 ZINC000178376182 432729377 /nfs/dbraw/zinc/72/93/77/432729377.db2.gz FUAJPYGLHYUOKC-OAHLLOKOSA-N 2 1 316.470 3.431 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296295 432730240 /nfs/dbraw/zinc/73/02/40/432730240.db2.gz BDWWFFPZHHBWOF-YPMHNXCESA-N 2 1 314.260 3.305 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc(Br)cs2)CC[NH2+]1 ZINC000235365455 432742579 /nfs/dbraw/zinc/74/25/79/432742579.db2.gz ALKNEJOQBLXJNR-GHMZBOCLSA-N 2 1 317.296 3.331 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3[C@H](C)CCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000162283161 432819025 /nfs/dbraw/zinc/81/90/25/432819025.db2.gz KWDXRMRGVPFWTH-ZIAGYGMSSA-N 2 1 316.493 3.477 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162625676 432829757 /nfs/dbraw/zinc/82/97/57/432829757.db2.gz WBAPKGBFVHZBCT-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162625676 432829761 /nfs/dbraw/zinc/82/97/61/432829761.db2.gz WBAPKGBFVHZBCT-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000245469095 432835446 /nfs/dbraw/zinc/83/54/46/432835446.db2.gz UQMDHIYUDDQXFV-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178979731 432793630 /nfs/dbraw/zinc/79/36/30/432793630.db2.gz OZLGZNMMRQEMFI-SFHVURJKSA-N 2 1 312.461 3.193 20 0 DGADMP c1c[nH]c([C@H]2CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)n1 ZINC000276451412 432809008 /nfs/dbraw/zinc/80/90/08/432809008.db2.gz NASRWSPCBLLRSJ-KRWDZBQOSA-N 2 1 311.429 3.157 20 0 DGADMP Cc1cnc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)s1 ZINC000277591017 432862897 /nfs/dbraw/zinc/86/28/97/432862897.db2.gz ZOTPOFUIFJHXQS-UHFFFAOYSA-N 2 1 304.463 3.226 20 0 DGADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3ccsc32)CCCO1 ZINC000277631230 432865814 /nfs/dbraw/zinc/86/58/14/432865814.db2.gz MZYREVOIEWCEEQ-CYBMUJFWSA-N 2 1 305.447 3.209 20 0 DGADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3ccsc32)CCCO1 ZINC000277631230 432865815 /nfs/dbraw/zinc/86/58/15/432865815.db2.gz MZYREVOIEWCEEQ-CYBMUJFWSA-N 2 1 305.447 3.209 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245854981 432866307 /nfs/dbraw/zinc/86/63/07/432866307.db2.gz GYSOSMCXQQGQPM-QBPKDAKJSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245854981 432866310 /nfs/dbraw/zinc/86/63/10/432866310.db2.gz GYSOSMCXQQGQPM-QBPKDAKJSA-N 2 1 308.510 3.290 20 0 DGADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000245919277 432870406 /nfs/dbraw/zinc/87/04/06/432870406.db2.gz GIVGCTOBNKJDDG-MOPGFXCFSA-N 2 1 319.537 3.392 20 0 DGADMP CC(C)Oc1ccccc1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277846678 432878404 /nfs/dbraw/zinc/87/84/04/432878404.db2.gz MHLFEOYKNAKOOO-QGZVFWFLSA-N 2 1 320.477 3.064 20 0 DGADMP CC(C)Oc1ccccc1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000277846678 432878405 /nfs/dbraw/zinc/87/84/05/432878405.db2.gz MHLFEOYKNAKOOO-QGZVFWFLSA-N 2 1 320.477 3.064 20 0 DGADMP C[C@@H](CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201204 432883038 /nfs/dbraw/zinc/88/30/38/432883038.db2.gz ZDTUOQGJBRWDCC-KBXCAEBGSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201204 432883040 /nfs/dbraw/zinc/88/30/40/432883040.db2.gz ZDTUOQGJBRWDCC-KBXCAEBGSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201204 432883043 /nfs/dbraw/zinc/88/30/43/432883043.db2.gz ZDTUOQGJBRWDCC-KBXCAEBGSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201204 432883044 /nfs/dbraw/zinc/88/30/44/432883044.db2.gz ZDTUOQGJBRWDCC-KBXCAEBGSA-N 2 1 308.416 3.486 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2cccnc2)C3)cc1 ZINC000245645129 432852907 /nfs/dbraw/zinc/85/29/07/432852907.db2.gz BIYGQTBXPLBHMZ-WKCHPHFGSA-N 2 1 321.468 3.409 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245671900 432854065 /nfs/dbraw/zinc/85/40/65/432854065.db2.gz HMTBJNNHLPJVNR-HNULKUCHSA-N 2 1 316.489 3.179 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000245724497 432859194 /nfs/dbraw/zinc/85/91/94/432859194.db2.gz VBZPIKQZKIXCMZ-FUHWJXTLSA-N 2 1 304.478 3.290 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000245724497 432859197 /nfs/dbraw/zinc/85/91/97/432859197.db2.gz VBZPIKQZKIXCMZ-FUHWJXTLSA-N 2 1 304.478 3.290 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000278990217 432923959 /nfs/dbraw/zinc/92/39/59/432923959.db2.gz PXVBGFOQJWRYKJ-MLGOLLRUSA-N 2 1 305.372 3.465 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205276 432933449 /nfs/dbraw/zinc/93/34/49/432933449.db2.gz IBADXPFIHHUWKA-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205276 432933453 /nfs/dbraw/zinc/93/34/53/432933453.db2.gz IBADXPFIHHUWKA-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205276 432933456 /nfs/dbraw/zinc/93/34/56/432933456.db2.gz IBADXPFIHHUWKA-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000289205276 432933460 /nfs/dbraw/zinc/93/34/60/432933460.db2.gz IBADXPFIHHUWKA-CMQIENFKSA-N 2 1 306.400 3.394 20 0 DGADMP C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCc1c[nH+]cn1C ZINC000289253340 432937564 /nfs/dbraw/zinc/93/75/64/432937564.db2.gz BQHNFYAJSSIJRG-SUMWQHHRSA-N 2 1 319.836 3.078 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279179310 432943119 /nfs/dbraw/zinc/94/31/19/432943119.db2.gz RQFDVKFIQABCQE-LBPRGKRZSA-N 2 1 306.479 3.371 20 0 DGADMP c1ccc(CN2CCCO[C@@H](C[N@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512411 432896420 /nfs/dbraw/zinc/89/64/20/432896420.db2.gz BLFYZUQDBHPLET-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCSC2)C3)cc1 ZINC000278795679 432902119 /nfs/dbraw/zinc/90/21/19/432902119.db2.gz QTVLPLLEUWTPRT-TVFCKZIOSA-N 2 1 302.487 3.277 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296464397 432911031 /nfs/dbraw/zinc/91/10/31/432911031.db2.gz NLLMOSOFYJFABV-JFIYKMOQSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296464397 432911033 /nfs/dbraw/zinc/91/10/33/432911033.db2.gz NLLMOSOFYJFABV-JFIYKMOQSA-N 2 1 304.478 3.036 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000278954513 432921456 /nfs/dbraw/zinc/92/14/56/432921456.db2.gz LUIDWMUMOIPHDT-XJKSGUPXSA-N 2 1 315.392 3.088 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ncc(Cl)s2)C1 ZINC000349633529 432983784 /nfs/dbraw/zinc/98/37/84/432983784.db2.gz SNWUDKSFOAFSLP-TXEJJXNPSA-N 2 1 301.887 3.254 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290067695 432986520 /nfs/dbraw/zinc/98/65/20/432986520.db2.gz YBLNHVGOFPZZAL-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290067695 432986522 /nfs/dbraw/zinc/98/65/22/432986522.db2.gz YBLNHVGOFPZZAL-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000290133138 432998262 /nfs/dbraw/zinc/99/82/62/432998262.db2.gz KBTZVIVPVKJKIY-LSTHTHJFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000290133138 432998265 /nfs/dbraw/zinc/99/82/65/432998265.db2.gz KBTZVIVPVKJKIY-LSTHTHJFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000349423721 432958427 /nfs/dbraw/zinc/95/84/27/432958427.db2.gz MJSBNYVSJFKQDO-IEBWSBKVSA-N 2 1 316.489 3.039 20 0 DGADMP COCCSCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289447844 432961757 /nfs/dbraw/zinc/96/17/57/432961757.db2.gz UNPOCGVBDWFZNI-UHFFFAOYSA-N 2 1 324.490 3.003 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CCc4cncn4C)C3)[nH]c2c1 ZINC000290159905 433002845 /nfs/dbraw/zinc/00/28/45/433002845.db2.gz XJDYCUKHQWTIIS-HNNXBMFYSA-N 2 1 323.444 3.027 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CCc4cncn4C)C3)[nH]c2c1 ZINC000290159905 433002849 /nfs/dbraw/zinc/00/28/49/433002849.db2.gz XJDYCUKHQWTIIS-HNNXBMFYSA-N 2 1 323.444 3.027 20 0 DGADMP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341254027 433006071 /nfs/dbraw/zinc/00/60/71/433006071.db2.gz DUCJMYXEXWYUOE-MJGOQNOKSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000280165060 433008748 /nfs/dbraw/zinc/00/87/48/433008748.db2.gz GNSQBWCDLJUBKX-FQEVSTJZSA-N 2 1 318.505 3.205 20 0 DGADMP CC(C)(CO)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297749745 433014042 /nfs/dbraw/zinc/01/40/42/433014042.db2.gz UFPVAANHKGOMLH-IBGZPJMESA-N 2 1 316.489 3.005 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000290234231 433018569 /nfs/dbraw/zinc/01/85/69/433018569.db2.gz ITVZLUGYYRFXNC-LAUBAEHRSA-N 2 1 324.468 3.363 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290267626 433023590 /nfs/dbraw/zinc/02/35/90/433023590.db2.gz VWLTZQSDYWFXJC-SJORKVTESA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290267626 433023594 /nfs/dbraw/zinc/02/35/94/433023594.db2.gz VWLTZQSDYWFXJC-SJORKVTESA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)C(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290277633 433024954 /nfs/dbraw/zinc/02/49/54/433024954.db2.gz LZPAEWZZIOUNSS-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP COc1ccc(C[N@@H+](CCc2cncn2C)[C@@H](C)C2CC2)cc1 ZINC000297880189 433027969 /nfs/dbraw/zinc/02/79/69/433027969.db2.gz QHTAOJYNLKQMTN-HNNXBMFYSA-N 2 1 313.445 3.272 20 0 DGADMP Cc1ccc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)ccc2n1 ZINC000290430370 433049656 /nfs/dbraw/zinc/04/96/56/433049656.db2.gz LGFIALFPKVEUHW-QUCCMNQESA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)ccc2n1 ZINC000290430370 433049661 /nfs/dbraw/zinc/04/96/61/433049661.db2.gz LGFIALFPKVEUHW-QUCCMNQESA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)ccc2n1 ZINC000290430370 433049666 /nfs/dbraw/zinc/04/96/66/433049666.db2.gz LGFIALFPKVEUHW-QUCCMNQESA-N 2 1 309.457 3.459 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280441187 433050960 /nfs/dbraw/zinc/05/09/60/433050960.db2.gz NBLSKPQUAJBWRV-QRQLOZEOSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280441187 433050964 /nfs/dbraw/zinc/05/09/64/433050964.db2.gz NBLSKPQUAJBWRV-QRQLOZEOSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280441187 433050967 /nfs/dbraw/zinc/05/09/67/433050967.db2.gz NBLSKPQUAJBWRV-QRQLOZEOSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280441187 433050970 /nfs/dbraw/zinc/05/09/70/433050970.db2.gz NBLSKPQUAJBWRV-QRQLOZEOSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418140 433048299 /nfs/dbraw/zinc/04/82/99/433048299.db2.gz KNVCYKLZVHMGIE-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418140 433048306 /nfs/dbraw/zinc/04/83/06/433048306.db2.gz KNVCYKLZVHMGIE-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418140 433048311 /nfs/dbraw/zinc/04/83/11/433048311.db2.gz KNVCYKLZVHMGIE-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418140 433048314 /nfs/dbraw/zinc/04/83/14/433048314.db2.gz KNVCYKLZVHMGIE-WMLDXEAASA-N 2 1 302.462 3.172 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000280473661 433057714 /nfs/dbraw/zinc/05/77/14/433057714.db2.gz CWHCCOXGOKFECW-PXNSSMCTSA-N 2 1 315.505 3.223 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000341433794 433058005 /nfs/dbraw/zinc/05/80/05/433058005.db2.gz NZQQAHXXSDWIBW-HOCLYGCPSA-N 2 1 306.450 3.229 20 0 DGADMP COCc1cc(NCC2=CC[N@@H+](C)CC2)c2cc(F)ccc2n1 ZINC000290514373 433076115 /nfs/dbraw/zinc/07/61/15/433076115.db2.gz AYOUNSWZMPNFHX-UHFFFAOYSA-N 2 1 315.392 3.194 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]3C)sc2C1 ZINC000341495185 433093968 /nfs/dbraw/zinc/09/39/68/433093968.db2.gz YGBFWXAMPLYVTK-KBPBESRZSA-N 2 1 307.507 3.435 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]3C)sc2C1 ZINC000341495185 433093977 /nfs/dbraw/zinc/09/39/77/433093977.db2.gz YGBFWXAMPLYVTK-KBPBESRZSA-N 2 1 307.507 3.435 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000354517165 433121782 /nfs/dbraw/zinc/12/17/82/433121782.db2.gz WXBGMPXTPBKWTD-QSJFSLAZSA-N 2 1 320.477 3.268 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000354517165 433121797 /nfs/dbraw/zinc/12/17/97/433121797.db2.gz WXBGMPXTPBKWTD-QSJFSLAZSA-N 2 1 320.477 3.268 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000361343857 433121812 /nfs/dbraw/zinc/12/18/12/433121812.db2.gz MOUNUNSRZSNJHQ-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000361343857 433121821 /nfs/dbraw/zinc/12/18/21/433121821.db2.gz MOUNUNSRZSNJHQ-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000361343855 433123235 /nfs/dbraw/zinc/12/32/35/433123235.db2.gz MOUNUNSRZSNJHQ-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000361343855 433123244 /nfs/dbraw/zinc/12/32/44/433123244.db2.gz MOUNUNSRZSNJHQ-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[NH2+]C[C@H](C)CNc1cc[nH+]c2c(Br)cccc12 ZINC000420211672 433125017 /nfs/dbraw/zinc/12/50/17/433125017.db2.gz SYJRSBHXXYTYLK-JTQLQIEISA-N 2 1 308.223 3.265 20 0 DGADMP Cc1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420304854 433154194 /nfs/dbraw/zinc/15/41/94/433154194.db2.gz OTXZLFBWNZWYNM-FUHWJXTLSA-N 2 1 304.503 3.475 20 0 DGADMP CCc1nc(C)cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425281314 433146164 /nfs/dbraw/zinc/14/61/64/433146164.db2.gz ZQBGCTUKXUEXPX-ZWKOTPCHSA-N 2 1 322.456 3.058 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000420296286 433147950 /nfs/dbraw/zinc/14/79/50/433147950.db2.gz BIJTVZNKMIIBFZ-VQTJNVASSA-N 2 1 324.468 3.445 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000420296284 433150230 /nfs/dbraw/zinc/15/02/30/433150230.db2.gz BIJTVZNKMIIBFZ-PMACEKPBSA-N 2 1 324.468 3.445 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(Cc3c(F)cccc3F)CC2)CC1 ZINC000453346693 433106818 /nfs/dbraw/zinc/10/68/18/433106818.db2.gz FXDQFJHPLCLCGS-UHFFFAOYSA-N 2 1 308.416 3.314 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453396427 433153894 /nfs/dbraw/zinc/15/38/94/433153894.db2.gz ISHYSVNZTCWGHK-GOSISDBHSA-N 2 1 318.461 3.373 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000420308944 433155946 /nfs/dbraw/zinc/15/59/46/433155946.db2.gz SOPSCWIFRLYXGZ-ZFWWWQNUSA-N 2 1 301.459 3.433 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(O)c(OCC)c2)CC1 ZINC000298494380 433156493 /nfs/dbraw/zinc/15/64/93/433156493.db2.gz QDDRHACXRZGSGM-UHFFFAOYSA-N 2 1 306.450 3.145 20 0 DGADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420303881 433156996 /nfs/dbraw/zinc/15/69/96/433156996.db2.gz NVVDTLNLCKVQJF-FXAWDEMLSA-N 2 1 316.489 3.138 20 0 DGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311011 433159434 /nfs/dbraw/zinc/15/94/34/433159434.db2.gz GNCRGRARZLLALQ-HUUCEWRRSA-N 2 1 307.507 3.446 20 0 DGADMP C[C@@H](OCCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298505159 433159986 /nfs/dbraw/zinc/15/99/86/433159986.db2.gz QQKYWMZKQLCIEJ-MRXNPFEDSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccccc1)c1cncnc1)C1CC1 ZINC000453407579 433161856 /nfs/dbraw/zinc/16/18/56/433161856.db2.gz SCBTYYYFFKXXBG-IBGZPJMESA-N 2 1 310.445 3.030 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC2 ZINC000453406487 433164571 /nfs/dbraw/zinc/16/45/71/433164571.db2.gz RDFVNSUWHCORFB-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329224 433165516 /nfs/dbraw/zinc/16/55/16/433165516.db2.gz OCBQTQBQTGFISV-WBVHZDCISA-N 2 1 322.880 3.478 20 0 DGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)n2C)cc1 ZINC000425331128 433166648 /nfs/dbraw/zinc/16/66/48/433166648.db2.gz WXZQOUJBUOIRLK-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000420321799 433166826 /nfs/dbraw/zinc/16/68/26/433166826.db2.gz RVNREZAXRHDCAN-ZFWWWQNUSA-N 2 1 304.459 3.492 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000420328580 433167081 /nfs/dbraw/zinc/16/70/81/433167081.db2.gz ZZSOCDJDRMGHAI-MRXNPFEDSA-N 2 1 302.393 3.009 20 0 DGADMP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)c1 ZINC000453413474 433167323 /nfs/dbraw/zinc/16/73/23/433167323.db2.gz HULLJYFZVWHLOQ-LVQVYYBASA-N 2 1 306.475 3.185 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C1CC1 ZINC000453414004 433167869 /nfs/dbraw/zinc/16/78/69/433167869.db2.gz WXOHXFLXCOXFMS-QGZVFWFLSA-N 2 1 304.482 3.495 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420322343 433168138 /nfs/dbraw/zinc/16/81/38/433168138.db2.gz DTQYQMXHVFJOIS-RBSFLKMASA-N 2 1 323.506 3.062 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)[C@@H](c2ccco2)C1 ZINC000425330132 433169366 /nfs/dbraw/zinc/16/93/66/433169366.db2.gz AUNDNCFNBPMNKD-DZGCQCFKSA-N 2 1 302.422 3.052 20 0 DGADMP CN(C)c1ncc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)n1C ZINC000425334702 433171844 /nfs/dbraw/zinc/17/18/44/433171844.db2.gz HAQHMPNEALHOAO-LJQANCHMSA-N 2 1 312.461 3.083 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420458 433172461 /nfs/dbraw/zinc/17/24/61/433172461.db2.gz ZOXFDYBLNYXTES-CQSZACIVSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361459936 433180626 /nfs/dbraw/zinc/18/06/26/433180626.db2.gz OMPPKSYWVJNZBZ-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361459936 433180636 /nfs/dbraw/zinc/18/06/36/433180636.db2.gz OMPPKSYWVJNZBZ-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000336729361 433184164 /nfs/dbraw/zinc/18/41/64/433184164.db2.gz XHHYOEDTBCYZRU-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000336729361 433184174 /nfs/dbraw/zinc/18/41/74/433184174.db2.gz XHHYOEDTBCYZRU-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000336729361 433184179 /nfs/dbraw/zinc/18/41/79/433184179.db2.gz XHHYOEDTBCYZRU-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000336729361 433184188 /nfs/dbraw/zinc/18/41/88/433184188.db2.gz XHHYOEDTBCYZRU-VQTJNVASSA-N 2 1 322.452 3.346 20 0 DGADMP CC(C)COCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336723634 433184984 /nfs/dbraw/zinc/18/49/84/433184984.db2.gz WNEOGRCDMCGUAK-IBGZPJMESA-N 2 1 304.478 3.113 20 0 DGADMP CC(C)COCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723634 433184990 /nfs/dbraw/zinc/18/49/90/433184990.db2.gz WNEOGRCDMCGUAK-IBGZPJMESA-N 2 1 304.478 3.113 20 0 DGADMP CC(C)COCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723634 433184998 /nfs/dbraw/zinc/18/49/98/433184998.db2.gz WNEOGRCDMCGUAK-IBGZPJMESA-N 2 1 304.478 3.113 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000453439181 433186708 /nfs/dbraw/zinc/18/67/08/433186708.db2.gz VZSBDBXOBMRANP-AWEZNQCLSA-N 2 1 306.450 3.229 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378803 433187621 /nfs/dbraw/zinc/18/76/21/433187621.db2.gz BMGPPIMFRGRDRB-HIFRSBDPSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378803 433187631 /nfs/dbraw/zinc/18/76/31/433187631.db2.gz BMGPPIMFRGRDRB-HIFRSBDPSA-N 2 1 310.388 3.252 20 0 DGADMP COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1F ZINC000336719196 433187656 /nfs/dbraw/zinc/18/76/56/433187656.db2.gz RPILRYFUJKIEOQ-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1F ZINC000336719196 433187661 /nfs/dbraw/zinc/18/76/61/433187661.db2.gz RPILRYFUJKIEOQ-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000336719374 433188838 /nfs/dbraw/zinc/18/88/38/433188838.db2.gz RYRUPTDLASMXCQ-MJGOQNOKSA-N 3 1 303.494 3.006 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381793 433192419 /nfs/dbraw/zinc/19/24/19/433192419.db2.gz CRFZZTNDFXHJBR-SJLPKXTDSA-N 2 1 302.462 3.438 20 0 DGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420381565 433193800 /nfs/dbraw/zinc/19/38/00/433193800.db2.gz XZKYIAJFGJVEJE-IAGOWNOFSA-N 2 1 317.477 3.115 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281099821 433262108 /nfs/dbraw/zinc/26/21/08/433262108.db2.gz BITNEEZBDQBGSO-SJKOYZFVSA-N 2 1 302.397 3.103 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354843732 433314121 /nfs/dbraw/zinc/31/41/21/433314121.db2.gz HGRPTHYEPJFFPN-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354843732 433314129 /nfs/dbraw/zinc/31/41/29/433314129.db2.gz HGRPTHYEPJFFPN-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354843732 433314132 /nfs/dbraw/zinc/31/41/32/433314132.db2.gz HGRPTHYEPJFFPN-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918006 433314498 /nfs/dbraw/zinc/31/44/98/433314498.db2.gz UWBIFUKPMSYHQK-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918006 433314505 /nfs/dbraw/zinc/31/45/05/433314505.db2.gz UWBIFUKPMSYHQK-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H](CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)OCc1ccccc1 ZINC000354862815 433326108 /nfs/dbraw/zinc/32/61/08/433326108.db2.gz XFQPELBNARWIRF-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OCc1ccccc1 ZINC000354862815 433326113 /nfs/dbraw/zinc/32/61/13/433326113.db2.gz XFQPELBNARWIRF-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1CN1CCOCC1 ZINC000420916728 433314697 /nfs/dbraw/zinc/31/46/97/433314697.db2.gz PGJGFWLVVHIQGH-VQTJNVASSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916728 433314701 /nfs/dbraw/zinc/31/47/01/433314701.db2.gz PGJGFWLVVHIQGH-VQTJNVASSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916728 433314708 /nfs/dbraw/zinc/31/47/08/433314708.db2.gz PGJGFWLVVHIQGH-VQTJNVASSA-N 2 1 314.473 3.283 20 0 DGADMP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915338 433314941 /nfs/dbraw/zinc/31/49/41/433314941.db2.gz DQDLXYRQGRKWTL-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915338 433314948 /nfs/dbraw/zinc/31/49/48/433314948.db2.gz DQDLXYRQGRKWTL-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000341866665 433324836 /nfs/dbraw/zinc/32/48/36/433324836.db2.gz VFCBNQKAISLMGG-FUHWJXTLSA-N 2 1 312.461 3.397 20 0 DGADMP CCc1nocc1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000350748553 433273367 /nfs/dbraw/zinc/27/33/67/433273367.db2.gz QLNDMRIXANWXHR-CVEARBPZSA-N 2 1 305.466 3.323 20 0 DGADMP CC[C@@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420929741 433325254 /nfs/dbraw/zinc/32/52/54/433325254.db2.gz DADXXSGAOVLXGN-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP CC[C@@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420929741 433325264 /nfs/dbraw/zinc/32/52/64/433325264.db2.gz DADXXSGAOVLXGN-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556230 433296746 /nfs/dbraw/zinc/29/67/46/433296746.db2.gz SKFICVDWKRXRJV-MSOLQXFVSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556230 433296753 /nfs/dbraw/zinc/29/67/53/433296753.db2.gz SKFICVDWKRXRJV-MSOLQXFVSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556230 433296759 /nfs/dbraw/zinc/29/67/59/433296759.db2.gz SKFICVDWKRXRJV-MSOLQXFVSA-N 2 1 306.494 3.142 20 0 DGADMP C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420903448 433303887 /nfs/dbraw/zinc/30/38/87/433303887.db2.gz ODKZKHJBKWLOLB-UHFFFAOYSA-N 2 1 310.441 3.151 20 0 DGADMP C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420903448 433303895 /nfs/dbraw/zinc/30/38/95/433303895.db2.gz ODKZKHJBKWLOLB-UHFFFAOYSA-N 2 1 310.441 3.151 20 0 DGADMP C[C@H]1CCCCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420914411 433306794 /nfs/dbraw/zinc/30/67/94/433306794.db2.gz JZOGRRMGECGPSR-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914411 433306797 /nfs/dbraw/zinc/30/67/97/433306797.db2.gz JZOGRRMGECGPSR-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914411 433306808 /nfs/dbraw/zinc/30/68/08/433306808.db2.gz JZOGRRMGECGPSR-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H](CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OCc1ccccc1 ZINC000354862815 433326097 /nfs/dbraw/zinc/32/60/97/433326097.db2.gz XFQPELBNARWIRF-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420916340 433312950 /nfs/dbraw/zinc/31/29/50/433312950.db2.gz HHIQOSXVTHLFSH-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916340 433312959 /nfs/dbraw/zinc/31/29/59/433312959.db2.gz HHIQOSXVTHLFSH-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916340 433312970 /nfs/dbraw/zinc/31/29/70/433312970.db2.gz HHIQOSXVTHLFSH-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)[C@@H]1C ZINC000420915954 433313409 /nfs/dbraw/zinc/31/34/09/433313409.db2.gz NIGIWOMIKXMWBK-IAGOWNOFSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cc2n(n1)CCC2 ZINC000414056211 433363499 /nfs/dbraw/zinc/36/34/99/433363499.db2.gz DHFZBBASHRQZIV-MRXNPFEDSA-N 2 1 324.472 3.276 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000414054828 433365989 /nfs/dbraw/zinc/36/59/89/433365989.db2.gz BSKHBFGEYHCGOZ-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP C[N@H+](CCC1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425922780 433373632 /nfs/dbraw/zinc/37/36/32/433373632.db2.gz NGZYZZHDCQPDCN-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+](CCC1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425922780 433373639 /nfs/dbraw/zinc/37/36/39/433373639.db2.gz NGZYZZHDCQPDCN-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CCC1CCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425922780 433373649 /nfs/dbraw/zinc/37/36/49/433373649.db2.gz NGZYZZHDCQPDCN-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CCC1CCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425922780 433373661 /nfs/dbraw/zinc/37/36/61/433373661.db2.gz NGZYZZHDCQPDCN-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP COCCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000281633372 433328480 /nfs/dbraw/zinc/32/84/80/433328480.db2.gz DGPYINSTRJCDKK-HNAYVOBHSA-N 2 1 320.452 3.367 20 0 DGADMP CSCC[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420933377 433333249 /nfs/dbraw/zinc/33/32/49/433333249.db2.gz IKMQAIPTIWNCSN-INIZCTEOSA-N 2 1 322.518 3.092 20 0 DGADMP CSCC[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420933377 433333253 /nfs/dbraw/zinc/33/32/53/433333253.db2.gz IKMQAIPTIWNCSN-INIZCTEOSA-N 2 1 322.518 3.092 20 0 DGADMP Fc1ccc(OCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066386 433334497 /nfs/dbraw/zinc/33/44/97/433334497.db2.gz BIQJGZSNELHILJ-SJORKVTESA-N 2 1 306.425 3.201 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339073894 433340526 /nfs/dbraw/zinc/34/05/26/433340526.db2.gz GMYSAFYSOMNURP-MUGJNUQGSA-N 2 1 314.473 3.432 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCCO2)cc1 ZINC000339069057 433343506 /nfs/dbraw/zinc/34/35/06/433343506.db2.gz QPMWFHHEAWKKHY-MKXGPGLRSA-N 2 1 318.436 3.262 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCCO2)cc1 ZINC000339069057 433343515 /nfs/dbraw/zinc/34/35/15/433343515.db2.gz QPMWFHHEAWKKHY-MKXGPGLRSA-N 2 1 318.436 3.262 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000341896356 433344108 /nfs/dbraw/zinc/34/41/08/433344108.db2.gz KIENWWNVZHEZHK-QFBILLFUSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000341896356 433344118 /nfs/dbraw/zinc/34/41/18/433344118.db2.gz KIENWWNVZHEZHK-QFBILLFUSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000342039169 433428693 /nfs/dbraw/zinc/42/86/93/433428693.db2.gz FGAZZAZZPKRLLP-AEFFLSMTSA-N 2 1 312.461 3.397 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cn1 ZINC000361800864 433396368 /nfs/dbraw/zinc/39/63/68/433396368.db2.gz UTNHXWZOOKMRGV-GOSISDBHSA-N 2 1 312.461 3.011 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000414126439 433412511 /nfs/dbraw/zinc/41/25/11/433412511.db2.gz FEYTYOWHEBDYJC-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP CCN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355016860 433412665 /nfs/dbraw/zinc/41/26/65/433412665.db2.gz UFHZXZOCZNLMDR-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355016860 433412676 /nfs/dbraw/zinc/41/26/76/433412676.db2.gz UFHZXZOCZNLMDR-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355016860 433412684 /nfs/dbraw/zinc/41/26/84/433412684.db2.gz UFHZXZOCZNLMDR-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC[N@H+]1C ZINC000281933261 433434577 /nfs/dbraw/zinc/43/45/77/433434577.db2.gz BCFGVKIUZOORQJ-XJKSGUPXSA-N 2 1 303.425 3.312 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000414169166 433437201 /nfs/dbraw/zinc/43/72/01/433437201.db2.gz AZNAYYAUYBZQMF-DOTOQJQBSA-N 2 1 304.482 3.353 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000414180546 433445613 /nfs/dbraw/zinc/44/56/13/433445613.db2.gz LMONVRNDWLUVMI-OXJNMPFZSA-N 2 1 316.489 3.338 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000414181927 433447383 /nfs/dbraw/zinc/44/73/83/433447383.db2.gz MOTMJXYXANMQPA-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000414195082 433453516 /nfs/dbraw/zinc/45/35/16/433453516.db2.gz UPWXUXZBCMULLO-UONOGXRCSA-N 2 1 307.507 3.404 20 0 DGADMP CO[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099335 433461002 /nfs/dbraw/zinc/46/10/02/433461002.db2.gz HQFUOFCFTVCPAF-SJORKVTESA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099335 433461005 /nfs/dbraw/zinc/46/10/05/433461005.db2.gz HQFUOFCFTVCPAF-SJORKVTESA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099335 433461008 /nfs/dbraw/zinc/46/10/08/433461008.db2.gz HQFUOFCFTVCPAF-SJORKVTESA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099335 433461009 /nfs/dbraw/zinc/46/10/09/433461009.db2.gz HQFUOFCFTVCPAF-SJORKVTESA-N 2 1 308.853 3.055 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(C)c1OC ZINC000342088995 433461490 /nfs/dbraw/zinc/46/14/90/433461490.db2.gz RXHVOMXHZFHQRI-UHFFFAOYSA-N 2 1 320.477 3.222 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCOC)c1 ZINC000282031841 433470845 /nfs/dbraw/zinc/47/08/45/433470845.db2.gz FNLNPLKMLYZPGS-RTBURBONSA-N 2 1 304.478 3.433 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@H]21 ZINC000342101418 433469173 /nfs/dbraw/zinc/46/91/73/433469173.db2.gz KRAGBEMUIXHVPO-KFKAGJAMSA-N 2 1 323.440 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000361967513 433474798 /nfs/dbraw/zinc/47/47/98/433474798.db2.gz USSMRTNKLRLMOR-DTTOXWODSA-N 2 1 304.503 3.335 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1)C(C)C ZINC000292132061 433475309 /nfs/dbraw/zinc/47/53/09/433475309.db2.gz RMXDIBYNDSXMSS-INIZCTEOSA-N 2 1 319.493 3.164 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000342114804 433476095 /nfs/dbraw/zinc/47/60/95/433476095.db2.gz WUIMCHYFZHYFIC-YTQUADARSA-N 2 1 314.473 3.374 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282077538 433485601 /nfs/dbraw/zinc/48/56/01/433485601.db2.gz XHEZXCAAUYONRR-SFHVURJKSA-N 2 1 308.441 3.367 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000414245942 433480330 /nfs/dbraw/zinc/48/03/30/433480330.db2.gz UBVKLCKVBZJGKQ-UONOGXRCSA-N 2 1 308.416 3.459 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000263279209 290391730 /nfs/dbraw/zinc/39/17/30/290391730.db2.gz RNRZYMVWUVIDSC-ZWKOTPCHSA-N 2 1 323.525 3.009 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)O1 ZINC000414285489 433513025 /nfs/dbraw/zinc/51/30/25/433513025.db2.gz RSSYGINOYMAIOH-UNNPPQAFSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)O1 ZINC000414285489 433513033 /nfs/dbraw/zinc/51/30/33/433513033.db2.gz RSSYGINOYMAIOH-UNNPPQAFSA-N 2 1 316.489 3.443 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccsc3C)CC2)CC1 ZINC000421369291 433516646 /nfs/dbraw/zinc/51/66/46/433516646.db2.gz HARMPBBGFGKZIX-UHFFFAOYSA-N 2 1 321.534 3.049 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000414293920 433520255 /nfs/dbraw/zinc/52/02/55/433520255.db2.gz WDDTVJMLTCKBEP-MRXNPFEDSA-N 2 1 324.472 3.307 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000414293920 433520262 /nfs/dbraw/zinc/52/02/62/433520262.db2.gz WDDTVJMLTCKBEP-MRXNPFEDSA-N 2 1 324.472 3.307 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000355195065 433520534 /nfs/dbraw/zinc/52/05/34/433520534.db2.gz HXEQOJYJIAYNKH-FYOCZVBXSA-N 2 1 318.461 3.087 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000355195065 433520546 /nfs/dbraw/zinc/52/05/46/433520546.db2.gz HXEQOJYJIAYNKH-FYOCZVBXSA-N 2 1 318.461 3.087 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351478991 433522390 /nfs/dbraw/zinc/52/23/90/433522390.db2.gz QLKYCNOWNKKJDO-IEBWSBKVSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351478991 433522395 /nfs/dbraw/zinc/52/23/95/433522395.db2.gz QLKYCNOWNKKJDO-IEBWSBKVSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351478991 433522405 /nfs/dbraw/zinc/52/24/05/433522405.db2.gz QLKYCNOWNKKJDO-IEBWSBKVSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351478991 433522415 /nfs/dbraw/zinc/52/24/15/433522415.db2.gz QLKYCNOWNKKJDO-IEBWSBKVSA-N 2 1 304.478 3.079 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C3CC3)c2)CCCO1 ZINC000421378200 433523839 /nfs/dbraw/zinc/52/38/39/433523839.db2.gz GLXHSKOHQRFYNW-MRXNPFEDSA-N 2 1 302.462 3.155 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000362099555 433525385 /nfs/dbraw/zinc/52/53/85/433525385.db2.gz RFJAYEYDGGHCET-QGZVFWFLSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000362099555 433525391 /nfs/dbraw/zinc/52/53/91/433525391.db2.gz RFJAYEYDGGHCET-QGZVFWFLSA-N 2 1 319.836 3.388 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)s3)CC2)CC1 ZINC000421381461 433525563 /nfs/dbraw/zinc/52/55/63/433525563.db2.gz WNXLCDDYRHPKDR-UHFFFAOYSA-N 2 1 321.534 3.049 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCSc3ccccc3Cl)C[C@@H]12 ZINC000351488838 433525860 /nfs/dbraw/zinc/52/58/60/433525860.db2.gz GGDJIQBKWGGAAJ-UMVBOHGHSA-N 2 1 310.894 3.491 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)C(C)C ZINC000414299189 433526069 /nfs/dbraw/zinc/52/60/69/433526069.db2.gz RHPSROQZSDIBCC-RNQOJCNYSA-N 2 1 318.505 3.425 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)C(C)C ZINC000414299189 433526075 /nfs/dbraw/zinc/52/60/75/433526075.db2.gz RHPSROQZSDIBCC-RNQOJCNYSA-N 2 1 318.505 3.425 20 0 DGADMP CN(c1ccccc1C[N@@H+](C)[C@@H]1CC1(C)C)C1CC[NH+](C)CC1 ZINC000426549981 433527400 /nfs/dbraw/zinc/52/74/00/433527400.db2.gz VFDXZWIYUASOFU-LJQANCHMSA-N 2 1 315.505 3.447 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@H]21 ZINC000355203050 433532927 /nfs/dbraw/zinc/53/29/27/433532927.db2.gz WRDKSGSWUDFHJZ-FUHWJXTLSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@H]21 ZINC000355203050 433532933 /nfs/dbraw/zinc/53/29/33/433532933.db2.gz WRDKSGSWUDFHJZ-FUHWJXTLSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@H]21 ZINC000355203050 433532939 /nfs/dbraw/zinc/53/29/39/433532939.db2.gz WRDKSGSWUDFHJZ-FUHWJXTLSA-N 2 1 314.473 3.316 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282077536 433486880 /nfs/dbraw/zinc/48/68/80/433486880.db2.gz XHEZXCAAUYONRR-GOSISDBHSA-N 2 1 308.441 3.367 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000375584835 433498589 /nfs/dbraw/zinc/49/85/89/433498589.db2.gz RYEJLHVPUHKCDM-GJZGRUSLSA-N 2 1 309.457 3.242 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000375584835 433498594 /nfs/dbraw/zinc/49/85/94/433498594.db2.gz RYEJLHVPUHKCDM-GJZGRUSLSA-N 2 1 309.457 3.242 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000414278602 433505744 /nfs/dbraw/zinc/50/57/44/433505744.db2.gz ICZOFYKSYMNGTC-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000282143762 433509849 /nfs/dbraw/zinc/50/98/49/433509849.db2.gz CHQHIHWOEFQKLP-IBGZPJMESA-N 2 1 315.505 3.062 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000282282902 433550937 /nfs/dbraw/zinc/55/09/37/433550937.db2.gz RSRMVSUIIBXPJL-LJQANCHMSA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)[C@H](c1ccccc1Cl)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351522741 433552252 /nfs/dbraw/zinc/55/22/52/433552252.db2.gz ZKZWLEQNQBMZOL-MAUKXSAKSA-N 2 1 324.896 3.424 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nn1 ZINC000414343881 433556200 /nfs/dbraw/zinc/55/62/00/433556200.db2.gz BJLMLKUEFPXZTG-UHFFFAOYSA-N 2 1 324.472 3.451 20 0 DGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000282350049 433576900 /nfs/dbraw/zinc/57/69/00/433576900.db2.gz PFFYPOBGJHRWJT-AWEZNQCLSA-N 2 1 309.885 3.017 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000362199688 433577724 /nfs/dbraw/zinc/57/77/24/433577724.db2.gz JTJGGQZKJPFAJD-IIDMSEBBSA-N 2 1 316.445 3.125 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCO2 ZINC000362199688 433577729 /nfs/dbraw/zinc/57/77/29/433577729.db2.gz JTJGGQZKJPFAJD-IIDMSEBBSA-N 2 1 316.445 3.125 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282358376 433580734 /nfs/dbraw/zinc/58/07/34/433580734.db2.gz WBIDMEKSEKXDBF-ICSRJNTNSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3OC(F)F)C2)C1 ZINC000339432975 433582784 /nfs/dbraw/zinc/58/27/84/433582784.db2.gz IDSWWCLJFBTBIB-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574635 433586147 /nfs/dbraw/zinc/58/61/47/433586147.db2.gz PQORLPJKYJNCDR-ROUUACIJSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574635 433586160 /nfs/dbraw/zinc/58/61/60/433586160.db2.gz PQORLPJKYJNCDR-ROUUACIJSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@@H](O)CN(C)C2CC2)cc1 ZINC000351518414 433547031 /nfs/dbraw/zinc/54/70/31/433547031.db2.gz LXOWMPSHNDPRBV-UXPWSPDFSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351518414 433547056 /nfs/dbraw/zinc/54/70/56/433547056.db2.gz LXOWMPSHNDPRBV-UXPWSPDFSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351518414 433547068 /nfs/dbraw/zinc/54/70/68/433547068.db2.gz LXOWMPSHNDPRBV-UXPWSPDFSA-N 2 1 316.489 3.223 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000427132673 433653753 /nfs/dbraw/zinc/65/37/53/433653753.db2.gz GAHCWSCNPBKAEM-APWZRJJASA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000427132673 433653761 /nfs/dbraw/zinc/65/37/61/433653761.db2.gz GAHCWSCNPBKAEM-APWZRJJASA-N 2 1 300.446 3.192 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000376100247 433663326 /nfs/dbraw/zinc/66/33/26/433663326.db2.gz AEJATXAEXJLTGM-BHIYHBOVSA-N 2 1 302.462 3.022 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128387 433672601 /nfs/dbraw/zinc/67/26/01/433672601.db2.gz NJELLHVWISSXMV-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128387 433672609 /nfs/dbraw/zinc/67/26/09/433672609.db2.gz NJELLHVWISSXMV-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128387 433672617 /nfs/dbraw/zinc/67/26/17/433672617.db2.gz NJELLHVWISSXMV-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128387 433672624 /nfs/dbraw/zinc/67/26/24/433672624.db2.gz NJELLHVWISSXMV-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128387 433672629 /nfs/dbraw/zinc/67/26/29/433672629.db2.gz NJELLHVWISSXMV-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CC(C)OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362394730 433688191 /nfs/dbraw/zinc/68/81/91/433688191.db2.gz FOFJFQGXTGSMGK-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000367041748 293015444 /nfs/dbraw/zinc/01/54/44/293015444.db2.gz ADIKJYODPZNZMX-JKSUJKDBSA-N 2 1 310.507 3.363 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000367041748 293015446 /nfs/dbraw/zinc/01/54/46/293015446.db2.gz ADIKJYODPZNZMX-JKSUJKDBSA-N 2 1 310.507 3.363 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000367086253 293023889 /nfs/dbraw/zinc/02/38/89/293023889.db2.gz KHHXKAATUGDKDN-BQFCYCMXSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367085289 293023970 /nfs/dbraw/zinc/02/39/70/293023970.db2.gz FFZTZERKZAGCCC-QZTJIDSGSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367243800 293043456 /nfs/dbraw/zinc/04/34/56/293043456.db2.gz MPOMGNVPRPQOCW-HKUYNNGSSA-N 2 1 304.478 3.302 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000449038379 433698297 /nfs/dbraw/zinc/69/82/97/433698297.db2.gz UECRSMHVFYCXRI-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000449038379 433698307 /nfs/dbraw/zinc/69/83/07/433698307.db2.gz UECRSMHVFYCXRI-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000449038379 433698315 /nfs/dbraw/zinc/69/83/15/433698315.db2.gz UECRSMHVFYCXRI-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000449038379 433698324 /nfs/dbraw/zinc/69/83/24/433698324.db2.gz UECRSMHVFYCXRI-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cn3ccccc3n2)C1 ZINC000370208222 293163732 /nfs/dbraw/zinc/16/37/32/293163732.db2.gz QERHTQKJLPRGJB-LJQANCHMSA-N 2 1 320.440 3.041 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000373593335 293295182 /nfs/dbraw/zinc/29/51/82/293295182.db2.gz BPNVBIHVYUPIEV-SFHVURJKSA-N 2 1 313.420 3.223 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000373593335 293295183 /nfs/dbraw/zinc/29/51/83/293295183.db2.gz BPNVBIHVYUPIEV-SFHVURJKSA-N 2 1 313.420 3.223 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374326186 293384970 /nfs/dbraw/zinc/38/49/70/293384970.db2.gz DFXZUHPCUKSUJW-BBWFWOEESA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374326186 293384973 /nfs/dbraw/zinc/38/49/73/293384973.db2.gz DFXZUHPCUKSUJW-BBWFWOEESA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356842410 433726123 /nfs/dbraw/zinc/72/61/23/433726123.db2.gz GMCLZXBFLWEZDV-LPHOPBHVSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356858261 433736372 /nfs/dbraw/zinc/73/63/72/433736372.db2.gz XHZBYJWRJQJZDW-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000449383121 433739469 /nfs/dbraw/zinc/73/94/69/433739469.db2.gz FFUOQOUPTGNCNO-KKUMJFAQSA-N 2 1 322.415 3.196 20 0 DGADMP CC(C)C[C@@H](N)c1noc([C@H](C)N(C)Cc2ccccc2)n1 ZINC000414610292 433743768 /nfs/dbraw/zinc/74/37/68/433743768.db2.gz ARQDGFVLWDMAFB-DZGCQCFKSA-N 2 1 302.422 3.309 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421819006 433743794 /nfs/dbraw/zinc/74/37/94/433743794.db2.gz DOLGXKRVFLCMOB-PKOBYXMFSA-N 2 1 315.505 3.431 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421818685 433744236 /nfs/dbraw/zinc/74/42/36/433744236.db2.gz CAOJLEJBRMPAJF-SFHVURJKSA-N 2 1 317.408 3.470 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CCc3cccnc3CC2)CCCCC1 ZINC000421817946 433744520 /nfs/dbraw/zinc/74/45/20/433744520.db2.gz YDCKTICOOPOHLX-KRWDZBQOSA-N 2 1 301.478 3.183 20 0 DGADMP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421824796 433748128 /nfs/dbraw/zinc/74/81/28/433748128.db2.gz KJSZDUIQGVTTGC-QGZVFWFLSA-N 2 1 303.381 3.080 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000351855351 433754388 /nfs/dbraw/zinc/75/43/88/433754388.db2.gz SYXCVMIDJGICMM-CRAIPNDOSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000351860696 433759861 /nfs/dbraw/zinc/75/98/61/433759861.db2.gz HZRKTTLENIKPGQ-CHWSQXEVSA-N 2 1 316.367 3.143 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000449625043 433760384 /nfs/dbraw/zinc/76/03/84/433760384.db2.gz AOPMVEVMTYAYGX-FVCZOJIISA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000449625043 433760389 /nfs/dbraw/zinc/76/03/89/433760389.db2.gz AOPMVEVMTYAYGX-FVCZOJIISA-N 2 1 316.489 3.443 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000376515217 433761353 /nfs/dbraw/zinc/76/13/53/433761353.db2.gz OOXLMKGJNLKNMP-KRWDZBQOSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000414653066 433769646 /nfs/dbraw/zinc/76/96/46/433769646.db2.gz AMNDNEONKODSPS-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414772405 433823194 /nfs/dbraw/zinc/82/31/94/433823194.db2.gz BUQDDVFHIPIQFB-KGLIPLIRSA-N 2 1 308.853 3.170 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2n1 ZINC000293670677 433823139 /nfs/dbraw/zinc/82/31/39/433823139.db2.gz OVDCGHVGRPFGTM-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2n1 ZINC000293670677 433823146 /nfs/dbraw/zinc/82/31/46/433823146.db2.gz OVDCGHVGRPFGTM-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343096206 433773729 /nfs/dbraw/zinc/77/37/29/433773729.db2.gz MEUBOZSOKJSGJZ-SJLPKXTDSA-N 2 1 322.880 3.154 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000414664039 433780765 /nfs/dbraw/zinc/78/07/65/433780765.db2.gz SUQYYOXSDNYEHR-LZWOXQAQSA-N 2 1 308.441 3.072 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414684158 433785814 /nfs/dbraw/zinc/78/58/14/433785814.db2.gz UXGNXMIVVCGVKN-VYDXJSESSA-N 2 1 318.461 3.229 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000421869307 433787029 /nfs/dbraw/zinc/78/70/29/433787029.db2.gz DGNKSDDBNOXZOZ-ZUPWUQBJSA-N 3 1 315.505 3.284 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000421869307 433787042 /nfs/dbraw/zinc/78/70/42/433787042.db2.gz DGNKSDDBNOXZOZ-ZUPWUQBJSA-N 3 1 315.505 3.284 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449778734 433789257 /nfs/dbraw/zinc/78/92/57/433789257.db2.gz CAXFBRRVMIPNTJ-CQSZACIVSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449778734 433789262 /nfs/dbraw/zinc/78/92/62/433789262.db2.gz CAXFBRRVMIPNTJ-CQSZACIVSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000414681672 433789720 /nfs/dbraw/zinc/78/97/20/433789720.db2.gz PRLROFUKUHTCMB-OLZOCXBDSA-N 2 1 316.367 3.405 20 0 DGADMP Cc1cc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877749 433794008 /nfs/dbraw/zinc/79/40/08/433794008.db2.gz CBZKEZLHILRHEM-WMZOPIPTSA-N 2 1 313.445 3.198 20 0 DGADMP CCC[N@@H+](CCCOCCc1ccccc1)C1CC[NH2+]CC1 ZINC000431099030 433804129 /nfs/dbraw/zinc/80/41/29/433804129.db2.gz QDHIKFWAWWKXCJ-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](CCCO)C1 ZINC000449790748 433805498 /nfs/dbraw/zinc/80/54/98/433805498.db2.gz MDFKJUNMUYRNKR-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449790748 433805507 /nfs/dbraw/zinc/80/55/07/433805507.db2.gz MDFKJUNMUYRNKR-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](CCCO)C1 ZINC000449790748 433805516 /nfs/dbraw/zinc/80/55/16/433805516.db2.gz MDFKJUNMUYRNKR-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000414712992 433806003 /nfs/dbraw/zinc/80/60/03/433806003.db2.gz VBSQGYIGWRCOGS-VNHYZAJKSA-N 2 1 307.507 3.403 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000357000165 433812184 /nfs/dbraw/zinc/81/21/84/433812184.db2.gz CRYPCEHQIKLOLD-MRXNPFEDSA-N 2 1 323.481 3.114 20 0 DGADMP [NH3+]CCC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000414757216 433816957 /nfs/dbraw/zinc/81/69/57/433816957.db2.gz SHDNFANOGVNVLK-GFCCVEGCSA-N 2 1 303.233 3.185 20 0 DGADMP CC(C)OC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357011913 433818742 /nfs/dbraw/zinc/81/87/42/433818742.db2.gz KKFIJHCHUCUUJG-QGZVFWFLSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1ccc2nc(C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)cn2c1 ZINC000284024648 433821334 /nfs/dbraw/zinc/82/13/34/433821334.db2.gz QTBJWVGQFVGLDN-KRWDZBQOSA-N 2 1 314.477 3.387 20 0 DGADMP CCc1nc(C)cc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000339970941 433874291 /nfs/dbraw/zinc/87/42/91/433874291.db2.gz UZCHHDGPDWEOOZ-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CCc1nc(NC[C@H](c2cccs2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000339972870 433876909 /nfs/dbraw/zinc/87/69/09/433876909.db2.gz PBUPHWRMICGUJR-CQSZACIVSA-N 2 1 316.474 3.658 20 0 DGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432449254 433827261 /nfs/dbraw/zinc/82/72/61/433827261.db2.gz UNNQWRSLTCPWNV-IEBWSBKVSA-N 2 1 304.478 3.474 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432447168 433827878 /nfs/dbraw/zinc/82/78/78/433827878.db2.gz OIFCEVULMCSMLN-AZUAARDMSA-N 2 1 318.505 3.488 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432447168 433827885 /nfs/dbraw/zinc/82/78/85/433827885.db2.gz OIFCEVULMCSMLN-AZUAARDMSA-N 2 1 318.505 3.488 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414779990 433828729 /nfs/dbraw/zinc/82/87/29/433828729.db2.gz KZVKLJAPVKMMDA-MSOLQXFVSA-N 2 1 302.462 3.167 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc2O1 ZINC000414781946 433830358 /nfs/dbraw/zinc/83/03/58/433830358.db2.gz NUSOYVHSOHFGJK-DLBZAZTESA-N 2 1 314.473 3.222 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000414778561 433830878 /nfs/dbraw/zinc/83/08/78/433830878.db2.gz JBVWBXMECSTLRI-ROUUACIJSA-N 2 1 302.462 3.134 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343764590 433830959 /nfs/dbraw/zinc/83/09/59/433830959.db2.gz MISRURFLSZFVRP-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000414788994 433833166 /nfs/dbraw/zinc/83/31/66/433833166.db2.gz XQFZNUSRZUVMSY-ROUUACIJSA-N 2 1 324.472 3.002 20 0 DGADMP c1ccc(CSCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414789199 433834327 /nfs/dbraw/zinc/83/43/27/433834327.db2.gz XYNPCXHCXAFRKI-MSOLQXFVSA-N 2 1 304.503 3.241 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414790313 433838236 /nfs/dbraw/zinc/83/82/36/433838236.db2.gz GKOMWSXLLXDGIF-KRWDZBQOSA-N 2 1 308.429 3.098 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293722803 433841434 /nfs/dbraw/zinc/84/14/34/433841434.db2.gz UEBKJZVQBCCDEC-APWZRJJASA-N 2 1 302.462 3.216 20 0 DGADMP [NH3+]C[C@H]([NH2+]CC(Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414799433 433845123 /nfs/dbraw/zinc/84/51/23/433845123.db2.gz DOPOOFXFWRCTKW-NRFANRHFSA-N 2 1 308.469 3.415 20 0 DGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000414807304 433849121 /nfs/dbraw/zinc/84/91/21/433849121.db2.gz QZZGGSGNWRQUND-UHFFFAOYSA-N 2 1 302.393 3.232 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164035 433850350 /nfs/dbraw/zinc/85/03/50/433850350.db2.gz FCXSWYATYGHIMN-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC000284164035 433850361 /nfs/dbraw/zinc/85/03/61/433850361.db2.gz FCXSWYATYGHIMN-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000357069925 433851096 /nfs/dbraw/zinc/85/10/96/433851096.db2.gz HZVFSAUKOBFPOW-HNNXBMFYSA-N 2 1 316.367 3.208 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414810870 433855903 /nfs/dbraw/zinc/85/59/03/433855903.db2.gz OWWQBYZPZAEVLO-GUDVDZBRSA-N 2 1 315.505 3.004 20 0 DGADMP CC[N@@H+](CCOCC[NH3+])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000357092346 433860683 /nfs/dbraw/zinc/86/06/83/433860683.db2.gz URHGPEOANDJNKR-LJQANCHMSA-N 2 1 316.420 3.212 20 0 DGADMP COc1cc(Cl)c(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414834541 433866240 /nfs/dbraw/zinc/86/62/40/433866240.db2.gz SOBXQRBVJIPKIT-JTQLQIEISA-N 2 1 303.233 3.091 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833365 433868170 /nfs/dbraw/zinc/86/81/70/433868170.db2.gz ANHHPGMCYYHNQY-MJGOQNOKSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000357115545 433868377 /nfs/dbraw/zinc/86/83/77/433868377.db2.gz KSXXJNBQPALFGU-OWSLCNJRSA-N 2 1 323.525 3.019 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000293798442 433869990 /nfs/dbraw/zinc/86/99/90/433869990.db2.gz UWCLXAMWXZUZJU-SJLPKXTDSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000414836442 433871832 /nfs/dbraw/zinc/87/18/32/433871832.db2.gz SLNPJNWKUCPLHJ-JRGCBEDISA-N 2 1 323.484 3.329 20 0 DGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000293798451 433871925 /nfs/dbraw/zinc/87/19/25/433871925.db2.gz UWCLXAMWXZUZJU-WMZOPIPTSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]1 ZINC000414952906 433935124 /nfs/dbraw/zinc/93/51/24/433935124.db2.gz REIGJPUDQVQAOQ-KOLCDFICSA-N 2 1 304.768 3.172 20 0 DGADMP COc1ccc(Oc2ccc(C[NH2+]CC3([NH3+])CCC3)cc2)cc1 ZINC000414881120 433901786 /nfs/dbraw/zinc/90/17/86/433901786.db2.gz RZFQDIVCLAAYFR-UHFFFAOYSA-N 2 1 312.413 3.459 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000293864661 433902597 /nfs/dbraw/zinc/90/25/97/433902597.db2.gz URZLTPXMCKDTQZ-SFHVURJKSA-N 2 1 302.462 3.117 20 0 DGADMP Cc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(OC(F)F)cc1C ZINC000414895987 433904619 /nfs/dbraw/zinc/90/46/19/433904619.db2.gz AHTAVCZBARBHNP-KRWDZBQOSA-N 2 1 312.404 3.384 20 0 DGADMP CCCOc1c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cccc1OCC ZINC000414896487 433905650 /nfs/dbraw/zinc/90/56/50/433905650.db2.gz CBHFNBIESYWSSU-LJQANCHMSA-N 2 1 320.477 3.353 20 0 DGADMP C[C@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCC[NH2+]C1 ZINC000414898455 433905819 /nfs/dbraw/zinc/90/58/19/433905819.db2.gz GBLIHLPRUMDDAG-HNNXBMFYSA-N 2 1 307.488 3.351 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090648 433909088 /nfs/dbraw/zinc/90/90/88/433909088.db2.gz AZCVGFRDJIHOCY-MJGOQNOKSA-N 2 1 316.489 3.135 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21)C1CC1 ZINC000352090648 433909093 /nfs/dbraw/zinc/90/90/93/433909093.db2.gz AZCVGFRDJIHOCY-MJGOQNOKSA-N 2 1 316.489 3.135 20 0 DGADMP C[C@]1(C[NH2+]Cc2cc(Br)ccc2F)CCC[NH2+]C1 ZINC000414905742 433910260 /nfs/dbraw/zinc/91/02/60/433910260.db2.gz ORXBLXGTFPCPEQ-AWEZNQCLSA-N 2 1 315.230 3.068 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1O ZINC000414922282 433915500 /nfs/dbraw/zinc/91/55/00/433915500.db2.gz CMKRWJNQZYEHOR-KDOFPFPSSA-N 2 1 320.477 3.090 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[NH2+]1 ZINC000414942414 433931639 /nfs/dbraw/zinc/93/16/39/433931639.db2.gz DJILQDJQSVPCRU-LPHOPBHVSA-N 2 1 310.441 3.496 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414944323 433932396 /nfs/dbraw/zinc/93/23/96/433932396.db2.gz GPMVMOCOXKQVJF-HOCLYGCPSA-N 2 1 306.450 3.104 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000377627363 433933762 /nfs/dbraw/zinc/93/37/62/433933762.db2.gz PJSCYAQMRLJOOR-XYPWUTKMSA-N 2 1 314.433 3.035 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000377627363 433933772 /nfs/dbraw/zinc/93/37/72/433933772.db2.gz PJSCYAQMRLJOOR-XYPWUTKMSA-N 2 1 314.433 3.035 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000377627363 433933777 /nfs/dbraw/zinc/93/37/77/433933777.db2.gz PJSCYAQMRLJOOR-XYPWUTKMSA-N 2 1 314.433 3.035 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000377627363 433933783 /nfs/dbraw/zinc/93/37/83/433933783.db2.gz PJSCYAQMRLJOOR-XYPWUTKMSA-N 2 1 314.433 3.035 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414846725 433879163 /nfs/dbraw/zinc/87/91/63/433879163.db2.gz UZLHOMLJIBWMQP-WSTZPKSXSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414846725 433879173 /nfs/dbraw/zinc/87/91/73/433879173.db2.gz UZLHOMLJIBWMQP-WSTZPKSXSA-N 3 1 315.505 3.019 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1SC ZINC000414842006 433879469 /nfs/dbraw/zinc/87/94/69/433879469.db2.gz OPRMTPLAHGNNKI-SNVBAGLBSA-N 2 1 317.296 3.116 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000414848558 433879896 /nfs/dbraw/zinc/87/98/96/433879896.db2.gz WHRRJEUFDWTYCU-SJLPKXTDSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000414848558 433879902 /nfs/dbraw/zinc/87/99/02/433879902.db2.gz WHRRJEUFDWTYCU-SJLPKXTDSA-N 2 1 301.478 3.073 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000284317182 433881182 /nfs/dbraw/zinc/88/11/82/433881182.db2.gz LQJDFHKDLUUFNG-GFCCVEGCSA-N 2 1 323.868 3.269 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCCCC1 ZINC000414849392 433881497 /nfs/dbraw/zinc/88/14/97/433881497.db2.gz XKANCNXYSOLJKX-UHFFFAOYSA-N 2 1 316.367 3.379 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414850729 433881994 /nfs/dbraw/zinc/88/19/94/433881994.db2.gz IHQFDBICGKOZLL-WDEREUQCSA-N 2 1 317.260 3.480 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293823450 433883520 /nfs/dbraw/zinc/88/35/20/433883520.db2.gz WMXTYNGSGJJHIJ-LZWOXQAQSA-N 2 1 316.424 3.145 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293823450 433883529 /nfs/dbraw/zinc/88/35/29/433883529.db2.gz WMXTYNGSGJJHIJ-LZWOXQAQSA-N 2 1 316.424 3.145 20 0 DGADMP CC(C)C[C@H](C[NH3+])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414855302 433887450 /nfs/dbraw/zinc/88/74/50/433887450.db2.gz WRQXGQFHQFTJLC-GOSISDBHSA-N 2 1 323.912 3.267 20 0 DGADMP C[NH2+]CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414863947 433890413 /nfs/dbraw/zinc/89/04/13/433890413.db2.gz YGTRNRHRIJINJY-UHFFFAOYSA-N 2 1 301.415 3.255 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414861924 433891029 /nfs/dbraw/zinc/89/10/29/433891029.db2.gz WYTRQIBDXZMQIE-CHWSQXEVSA-N 2 1 311.267 3.235 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000422711022 433946589 /nfs/dbraw/zinc/94/65/89/433946589.db2.gz MPZIZCRSYZTRFQ-AYOQOUSVSA-N 2 1 321.484 3.329 20 0 DGADMP CN(C)c1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422720075 433948908 /nfs/dbraw/zinc/94/89/08/433948908.db2.gz SBGWULJYOYWLOH-ICSRJNTNSA-N 2 1 309.457 3.336 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422726906 433950708 /nfs/dbraw/zinc/95/07/08/433950708.db2.gz ASNHSCFCBXRRGV-QXAKKESOSA-N 2 1 303.494 3.047 20 0 DGADMP CC[C@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000422721995 433951940 /nfs/dbraw/zinc/95/19/40/433951940.db2.gz WOIGWPLSIUKCSQ-RYUDHWBXSA-N 2 1 317.296 3.173 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC2CCSCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422726652 433952566 /nfs/dbraw/zinc/95/25/66/433952566.db2.gz FTZYLXLOBIPNCM-ZWKOTPCHSA-N 2 1 320.502 3.221 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340172530 433954634 /nfs/dbraw/zinc/95/46/34/433954634.db2.gz BFNLMYSIARBUAJ-RTBURBONSA-N 2 1 312.461 3.076 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340172530 433954644 /nfs/dbraw/zinc/95/46/44/433954644.db2.gz BFNLMYSIARBUAJ-RTBURBONSA-N 2 1 312.461 3.076 20 0 DGADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422735234 433959125 /nfs/dbraw/zinc/95/91/25/433959125.db2.gz DQHATRMHCNYAQI-VQTJNVASSA-N 3 1 315.505 3.191 20 0 DGADMP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000378164794 293757895 /nfs/dbraw/zinc/75/78/95/293757895.db2.gz UPCKJKLODQMYRF-OAHLLOKOSA-N 2 1 306.413 3.427 20 0 DGADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)[NH+]1CCCCC1 ZINC000436411799 433960940 /nfs/dbraw/zinc/96/09/40/433960940.db2.gz FRNJHEWSJVQEIV-AWEZNQCLSA-N 2 1 318.490 3.492 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422735641 433961261 /nfs/dbraw/zinc/96/12/61/433961261.db2.gz WLLHBXUIPGRCMN-UONOGXRCSA-N 2 1 316.367 3.377 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCC2CC2)C[C@@H]1c1ccccc1 ZINC000340183901 433961496 /nfs/dbraw/zinc/96/14/96/433961496.db2.gz WPUJCCMFMBHYBD-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC2CC2)C[C@@H]1c1ccccc1 ZINC000340183901 433961508 /nfs/dbraw/zinc/96/15/08/433961508.db2.gz WPUJCCMFMBHYBD-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340182084 433962148 /nfs/dbraw/zinc/96/21/48/433962148.db2.gz PLLNMLSKTDCOFH-VQTJNVASSA-N 2 1 315.505 3.288 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000340188010 433967212 /nfs/dbraw/zinc/96/72/12/433967212.db2.gz ZNQPAXYHFZMENE-KSZLIROESA-N 2 1 316.445 3.141 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422743572 433967431 /nfs/dbraw/zinc/96/74/31/433967431.db2.gz UGVHPHSSFSJBLQ-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C)c1 ZINC000285499929 433971714 /nfs/dbraw/zinc/97/17/14/433971714.db2.gz ADLUQHPLSRNQNU-MOPGFXCFSA-N 2 1 304.478 3.273 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000377730467 433973162 /nfs/dbraw/zinc/97/31/62/433973162.db2.gz YIRAPYVHAKNYGZ-MRXNPFEDSA-N 2 1 300.446 3.027 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000377730467 433973171 /nfs/dbraw/zinc/97/31/71/433973171.db2.gz YIRAPYVHAKNYGZ-MRXNPFEDSA-N 2 1 300.446 3.027 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000377730467 433973175 /nfs/dbraw/zinc/97/31/75/433973175.db2.gz YIRAPYVHAKNYGZ-MRXNPFEDSA-N 2 1 300.446 3.027 20 0 DGADMP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000377730467 433973181 /nfs/dbraw/zinc/97/31/81/433973181.db2.gz YIRAPYVHAKNYGZ-MRXNPFEDSA-N 2 1 300.446 3.027 20 0 DGADMP C[C@H]1SCC[N@@H+](C/C=C\C[NH+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000340193680 433973284 /nfs/dbraw/zinc/97/32/84/433973284.db2.gz CQVFPTSTLVOZKP-OTBNGNJVSA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C\C[N@@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000340193680 433973296 /nfs/dbraw/zinc/97/32/96/433973296.db2.gz CQVFPTSTLVOZKP-OTBNGNJVSA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1SCC[NH+](C/C=C\C[N@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000340193680 433973306 /nfs/dbraw/zinc/97/33/06/433973306.db2.gz CQVFPTSTLVOZKP-OTBNGNJVSA-N 2 1 314.564 3.194 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415116804 433975125 /nfs/dbraw/zinc/97/51/25/433975125.db2.gz IFLIBXQDGPSZPR-FXAWDEMLSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@]1(C)CC[NH2+]C1 ZINC000415116804 433975137 /nfs/dbraw/zinc/97/51/37/433975137.db2.gz IFLIBXQDGPSZPR-FXAWDEMLSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@]1(C)CC[NH2+]C1 ZINC000415116804 433975146 /nfs/dbraw/zinc/97/51/46/433975146.db2.gz IFLIBXQDGPSZPR-FXAWDEMLSA-N 2 1 315.505 3.150 20 0 DGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000415062221 433975202 /nfs/dbraw/zinc/97/52/02/433975202.db2.gz DXAXFJNAKMIZKD-CRAIPNDOSA-N 2 1 317.477 3.128 20 0 DGADMP CC1CCN([C@H](C[NH2+]C[C@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000415085340 433976659 /nfs/dbraw/zinc/97/66/59/433976659.db2.gz PXUJKQOYDIXIKQ-SJLPKXTDSA-N 2 1 321.534 3.110 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCOc2ccccc21 ZINC000303985686 433977302 /nfs/dbraw/zinc/97/73/02/433977302.db2.gz IQGPXLBIYYHKOD-SFHVURJKSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422759670 433979071 /nfs/dbraw/zinc/97/90/71/433979071.db2.gz FYDYTDNBFBKMFA-HOJAQTOUSA-N 2 1 315.505 3.334 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340198117 433981137 /nfs/dbraw/zinc/98/11/37/433981137.db2.gz COYSNWWPTURYIV-HNNXBMFYSA-N 2 1 302.462 3.325 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422764017 433981769 /nfs/dbraw/zinc/98/17/69/433981769.db2.gz PGLRBQSSSMONQD-IINYFYTJSA-N 2 1 315.230 3.066 20 0 DGADMP COCc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1F ZINC000422763893 433983629 /nfs/dbraw/zinc/98/36/29/433983629.db2.gz OAIFXCJDYBJVMN-LIRRHRJNSA-N 2 1 316.420 3.020 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000340201733 433986688 /nfs/dbraw/zinc/98/66/88/433986688.db2.gz WJBSKTTYICLJAM-QUCCMNQESA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000340201733 433986697 /nfs/dbraw/zinc/98/66/97/433986697.db2.gz WJBSKTTYICLJAM-QUCCMNQESA-N 2 1 310.441 3.360 20 0 DGADMP Cc1ccc(CSCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422774763 433986902 /nfs/dbraw/zinc/98/69/02/433986902.db2.gz YJQAMUJOGQYCIZ-AWEZNQCLSA-N 2 1 301.459 3.387 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422768263 433990605 /nfs/dbraw/zinc/99/06/05/433990605.db2.gz RXLTZUWXAVKMSD-OWCLPIDISA-N 2 1 308.853 3.359 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)s2)cc1 ZINC000414962520 433938260 /nfs/dbraw/zinc/93/82/60/433938260.db2.gz ZTGJPHDJWRGKMT-DZGCQCFKSA-N 2 1 301.459 3.349 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)CC[NH2+]1 ZINC000414960241 433939302 /nfs/dbraw/zinc/93/93/02/433939302.db2.gz YABTXAYPRNZJPN-KOLCDFICSA-N 2 1 317.658 3.333 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000422790098 434004992 /nfs/dbraw/zinc/00/49/92/434004992.db2.gz USLPJGSLYOBKAG-OFQRWUPVSA-N 2 1 307.869 3.039 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422792961 434005216 /nfs/dbraw/zinc/00/52/16/434005216.db2.gz FFHVNVRBTNXDEI-ZIAGYGMSSA-N 2 1 302.340 3.335 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000422808972 434022072 /nfs/dbraw/zinc/02/20/72/434022072.db2.gz LPLVNJRJOGETDQ-CEXWTWQISA-N 2 1 302.462 3.275 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809420 434022331 /nfs/dbraw/zinc/02/23/31/434022331.db2.gz PRIFTWOUGLZEEK-LPHOPBHVSA-N 2 1 303.494 3.149 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000340262403 434022991 /nfs/dbraw/zinc/02/29/91/434022991.db2.gz YNDLQQWAHUAZGP-LBKNJMOBSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262403 434023006 /nfs/dbraw/zinc/02/30/06/434023006.db2.gz YNDLQQWAHUAZGP-LBKNJMOBSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262403 434023015 /nfs/dbraw/zinc/02/30/15/434023015.db2.gz YNDLQQWAHUAZGP-LBKNJMOBSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC[C@H]1O ZINC000422818919 434023451 /nfs/dbraw/zinc/02/34/51/434023451.db2.gz HMDRJXTZUQRLKG-FCGDIQPGSA-N 2 1 302.462 3.011 20 0 DGADMP CC[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813926 434024123 /nfs/dbraw/zinc/02/41/23/434024123.db2.gz ZCLPZXITFXHZGC-HSALFYBXSA-N 2 1 315.505 3.073 20 0 DGADMP CC[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813926 434024132 /nfs/dbraw/zinc/02/41/32/434024132.db2.gz ZCLPZXITFXHZGC-HSALFYBXSA-N 2 1 315.505 3.073 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1Br)[C@H]1CCCC[NH2+]1 ZINC000422824753 434030287 /nfs/dbraw/zinc/03/02/87/434030287.db2.gz IBKBUAQFLMRGMB-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422823604 434030340 /nfs/dbraw/zinc/03/03/40/434030340.db2.gz LWLDYSXYWPTQJN-JKSUJKDBSA-N 2 1 312.461 3.055 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[NH+]1CCC(C)CC1 ZINC000352291052 434030641 /nfs/dbraw/zinc/03/06/41/434030641.db2.gz WEKYLLYOHYIRBA-MKXGPGLRSA-N 2 1 320.521 3.290 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCC(C)CC1 ZINC000352291053 434030759 /nfs/dbraw/zinc/03/07/59/434030759.db2.gz WEKYLLYOHYIRBA-NCXUSEDFSA-N 2 1 320.521 3.290 20 0 DGADMP C[N@@H+](CCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285660334 434032506 /nfs/dbraw/zinc/03/25/06/434032506.db2.gz ZAQWXBYHKNGEEB-XYPWUTKMSA-N 2 1 308.853 3.276 20 0 DGADMP C[NH+](CCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285660334 434032514 /nfs/dbraw/zinc/03/25/14/434032514.db2.gz ZAQWXBYHKNGEEB-XYPWUTKMSA-N 2 1 308.853 3.276 20 0 DGADMP C[NH+](CCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285660334 434032528 /nfs/dbraw/zinc/03/25/28/434032528.db2.gz ZAQWXBYHKNGEEB-XYPWUTKMSA-N 2 1 308.853 3.276 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422829773 434033590 /nfs/dbraw/zinc/03/35/90/434033590.db2.gz BYTHRUMCBWVPLB-RBUKOAKNSA-N 2 1 308.425 3.258 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000352301158 434034487 /nfs/dbraw/zinc/03/44/87/434034487.db2.gz HRDOEOSXAMCCOF-XDNAFOTISA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000352301158 434034498 /nfs/dbraw/zinc/03/44/98/434034498.db2.gz HRDOEOSXAMCCOF-XDNAFOTISA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422833431 434037293 /nfs/dbraw/zinc/03/72/93/434037293.db2.gz GVRGHXJOYDGXPF-JKSUJKDBSA-N 3 1 309.523 3.067 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422833431 434037301 /nfs/dbraw/zinc/03/73/01/434037301.db2.gz GVRGHXJOYDGXPF-JKSUJKDBSA-N 3 1 309.523 3.067 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000399820085 293862855 /nfs/dbraw/zinc/86/28/55/293862855.db2.gz PGSMICFDDYVWRZ-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836624 434043680 /nfs/dbraw/zinc/04/36/80/434043680.db2.gz KOFXDMZOWLYCDJ-UMGGQSCQSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1Cc1ccccc1 ZINC000422836624 434043690 /nfs/dbraw/zinc/04/36/90/434043690.db2.gz KOFXDMZOWLYCDJ-UMGGQSCQSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c[nH+]ccc1N ZINC000422842301 434045415 /nfs/dbraw/zinc/04/54/15/434045415.db2.gz XZEHTZMUQNIECC-SOLBZPMBSA-N 2 1 324.472 3.198 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccsc1 ZINC000422861112 434060937 /nfs/dbraw/zinc/06/09/37/434060937.db2.gz MEXRXNOPPVHREG-YESZJQIVSA-N 2 1 309.523 3.381 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414790731 293891780 /nfs/dbraw/zinc/89/17/80/293891780.db2.gz PYIBFWUDGWMDKW-UHFFFAOYSA-N 2 1 307.457 3.294 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414968541 293898099 /nfs/dbraw/zinc/89/80/99/293898099.db2.gz ILXKUSOYUFLBDC-CYBMUJFWSA-N 2 1 318.795 3.419 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877073 434072603 /nfs/dbraw/zinc/07/26/03/434072603.db2.gz HKCMWJJRYRCPGC-WSTZPKSXSA-N 3 1 317.521 3.047 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422877073 434072612 /nfs/dbraw/zinc/07/26/12/434072612.db2.gz HKCMWJJRYRCPGC-WSTZPKSXSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877073 434072616 /nfs/dbraw/zinc/07/26/16/434072616.db2.gz HKCMWJJRYRCPGC-WSTZPKSXSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422879728 434075892 /nfs/dbraw/zinc/07/58/92/434075892.db2.gz KXFYWBJZHKBXEA-CMKODMSKSA-N 3 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422879728 434075898 /nfs/dbraw/zinc/07/58/98/434075898.db2.gz KXFYWBJZHKBXEA-CMKODMSKSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422879728 434075907 /nfs/dbraw/zinc/07/59/07/434075907.db2.gz KXFYWBJZHKBXEA-CMKODMSKSA-N 2 1 317.521 3.189 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422878688 434077730 /nfs/dbraw/zinc/07/77/30/434077730.db2.gz JQRFKXSKHJMGDU-CVEARBPZSA-N 3 1 318.509 3.154 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882943 434080447 /nfs/dbraw/zinc/08/04/47/434080447.db2.gz PPTOKNPDUBRFJK-ZWOKBUDYSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886546 434082857 /nfs/dbraw/zinc/08/28/57/434082857.db2.gz WWVOIRNTIOBKLL-MBOZVWFJSA-N 2 1 315.505 3.149 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340361723 434088381 /nfs/dbraw/zinc/08/83/81/434088381.db2.gz ULIRSGRRVNAGLE-OKZBNKHCSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340361723 434088388 /nfs/dbraw/zinc/08/83/88/434088388.db2.gz ULIRSGRRVNAGLE-OKZBNKHCSA-N 2 1 304.478 3.209 20 0 DGADMP CN1CC[C@H]([NH2+][C@H](CCO)c2ccco2)C[C@@H]1c1ccccc1 ZINC000340362156 434089291 /nfs/dbraw/zinc/08/92/91/434089291.db2.gz NOGAOYZKKOEWNC-RCCFBDPRSA-N 2 1 314.429 3.128 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422895877 434090799 /nfs/dbraw/zinc/09/07/99/434090799.db2.gz XCZKMTISTFIPKK-IFXJQAMLSA-N 2 1 318.509 3.010 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309756405 434097140 /nfs/dbraw/zinc/09/71/40/434097140.db2.gz XCPUALUHGPOZKP-IPMKNSEASA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340379536 434097940 /nfs/dbraw/zinc/09/79/40/434097940.db2.gz WCVZGNLTHBHUGW-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340379536 434097947 /nfs/dbraw/zinc/09/79/47/434097947.db2.gz WCVZGNLTHBHUGW-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)C[C@@H]1c1ccccc1 ZINC000340301336 434049291 /nfs/dbraw/zinc/04/92/91/434049291.db2.gz MTONLIMZOJEYBM-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)C[C@@H]1c1ccccc1 ZINC000340301336 434049301 /nfs/dbraw/zinc/04/93/01/434049301.db2.gz MTONLIMZOJEYBM-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)C[C@@H]1c1ccccc1 ZINC000340301340 434050765 /nfs/dbraw/zinc/05/07/65/434050765.db2.gz MTONLIMZOJEYBM-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)C[C@@H]1c1ccccc1 ZINC000340301340 434050777 /nfs/dbraw/zinc/05/07/77/434050777.db2.gz MTONLIMZOJEYBM-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340310273 434057855 /nfs/dbraw/zinc/05/78/55/434057855.db2.gz LILSFDABTJGOKM-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340310273 434057866 /nfs/dbraw/zinc/05/78/66/434057866.db2.gz LILSFDABTJGOKM-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861190 434059473 /nfs/dbraw/zinc/05/94/73/434059473.db2.gz MMZLVKXYWYMKLZ-ZWOKBUDYSA-N 2 1 315.505 3.149 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397961 434105023 /nfs/dbraw/zinc/10/50/23/434105023.db2.gz WFKHKRYTEBJFJT-ROUUACIJSA-N 2 1 318.461 3.388 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397961 434105027 /nfs/dbraw/zinc/10/50/27/434105027.db2.gz WFKHKRYTEBJFJT-ROUUACIJSA-N 2 1 318.461 3.388 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CC(F)(F)C3)C2)CC1 ZINC000450324819 434105739 /nfs/dbraw/zinc/10/57/39/434105739.db2.gz RFAHZLONZJJDFZ-HNNXBMFYSA-N 2 1 300.437 3.476 20 0 DGADMP COc1cccc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422918456 434107638 /nfs/dbraw/zinc/10/76/38/434107638.db2.gz IEGVRTIUPSOOHJ-MOPGFXCFSA-N 2 1 312.413 3.199 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422921176 434111370 /nfs/dbraw/zinc/11/13/70/434111370.db2.gz NORZLARRPRGMRC-GPMSIDNRSA-N 2 1 301.478 3.471 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422922746 434114253 /nfs/dbraw/zinc/11/42/53/434114253.db2.gz UGCDMNCOERKXOP-GWCFXTLKSA-N 2 1 302.340 3.034 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000285973537 434122900 /nfs/dbraw/zinc/12/29/00/434122900.db2.gz HHCQOKHRMGDXRU-SNPRPXQTSA-N 2 1 306.450 3.146 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1OC ZINC000285973537 434122912 /nfs/dbraw/zinc/12/29/12/434122912.db2.gz HHCQOKHRMGDXRU-SNPRPXQTSA-N 2 1 306.450 3.146 20 0 DGADMP Cc1sc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)nc1-c1ccccc1 ZINC000422929670 434116479 /nfs/dbraw/zinc/11/64/79/434116479.db2.gz RAEIAOJVLADAPX-BBRMVZONSA-N 2 1 315.486 3.249 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539919 434121116 /nfs/dbraw/zinc/12/11/16/434121116.db2.gz KHOMSABNGLMXSJ-NLPMXTIOSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539919 434121121 /nfs/dbraw/zinc/12/11/21/434121121.db2.gz KHOMSABNGLMXSJ-NLPMXTIOSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909690 434101224 /nfs/dbraw/zinc/10/12/24/434101224.db2.gz ORYSDQFELCTOKD-QRQLOZEOSA-N 2 1 307.526 3.009 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000502249310 294160091 /nfs/dbraw/zinc/16/00/91/294160091.db2.gz NWCIDXIZZRELRR-INIZCTEOSA-N 2 1 304.478 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000502249310 294160094 /nfs/dbraw/zinc/16/00/94/294160094.db2.gz NWCIDXIZZRELRR-INIZCTEOSA-N 2 1 304.478 3.421 20 0 DGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000502693625 294172500 /nfs/dbraw/zinc/17/25/00/294172500.db2.gz KBRGCAAVJVLLAE-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000502693625 294172502 /nfs/dbraw/zinc/17/25/02/294172502.db2.gz KBRGCAAVJVLLAE-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000502693625 294172504 /nfs/dbraw/zinc/17/25/04/294172504.db2.gz KBRGCAAVJVLLAE-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@@H](C)C1 ZINC000503891886 294203387 /nfs/dbraw/zinc/20/33/87/294203387.db2.gz KIOWWCFIOARPIA-MBGYTDRXSA-N 2 1 320.452 3.400 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000313351840 434128101 /nfs/dbraw/zinc/12/81/01/434128101.db2.gz KLIOYJQSRACSNV-LJQANCHMSA-N 2 1 312.413 3.029 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000313351840 434128112 /nfs/dbraw/zinc/12/81/12/434128112.db2.gz KLIOYJQSRACSNV-LJQANCHMSA-N 2 1 312.413 3.029 20 0 DGADMP CN(Cc1conc1Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000507366741 294295592 /nfs/dbraw/zinc/29/55/92/294295592.db2.gz INWJJWTXMIKCQY-QGZVFWFLSA-N 2 1 313.445 3.039 20 0 DGADMP COC1(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340442421 434130439 /nfs/dbraw/zinc/13/04/39/434130439.db2.gz AKJXWXPLEBWDFG-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340442421 434130449 /nfs/dbraw/zinc/13/04/49/434130449.db2.gz AKJXWXPLEBWDFG-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000508544029 294325362 /nfs/dbraw/zinc/32/53/62/294325362.db2.gz KRWMBUIPSARGMG-ABPVARSCSA-N 2 1 302.462 3.120 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000508544029 294325366 /nfs/dbraw/zinc/32/53/66/294325366.db2.gz KRWMBUIPSARGMG-ABPVARSCSA-N 2 1 302.462 3.120 20 0 DGADMP CC[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc2c(c1)OCCO2 ZINC000422951344 434131245 /nfs/dbraw/zinc/13/12/45/434131245.db2.gz YEHGNSQTGRTFAD-MLGOLLRUSA-N 2 1 313.401 3.067 20 0 DGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000509936460 294369357 /nfs/dbraw/zinc/36/93/57/294369357.db2.gz CBJNDCLRIXJJLJ-MSOLQXFVSA-N 2 1 323.525 3.066 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000353436515 434132788 /nfs/dbraw/zinc/13/27/88/434132788.db2.gz CFOLLBSCYKKWAS-XIRDDKMYSA-N 2 1 318.461 3.290 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000353436515 434132800 /nfs/dbraw/zinc/13/28/00/434132800.db2.gz CFOLLBSCYKKWAS-XIRDDKMYSA-N 2 1 318.461 3.290 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457448 434138645 /nfs/dbraw/zinc/13/86/45/434138645.db2.gz WMXTYNGSGJJHIJ-IJEWVQPXSA-N 2 1 316.424 3.145 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457448 434138653 /nfs/dbraw/zinc/13/86/53/434138653.db2.gz WMXTYNGSGJJHIJ-IJEWVQPXSA-N 2 1 316.424 3.145 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000378323142 434143893 /nfs/dbraw/zinc/14/38/93/434143893.db2.gz ZJHWEDLCAYWYCX-WSTZPKSXSA-N 2 1 315.505 3.014 20 0 DGADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CCC[NH2+]CC2)CC1 ZINC000422970224 434144925 /nfs/dbraw/zinc/14/49/25/434144925.db2.gz VYDRAGATBYQIDG-FQEVSTJZSA-N 2 1 315.505 3.150 20 0 DGADMP c1ccc(COc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)cc1 ZINC000422972975 434147819 /nfs/dbraw/zinc/14/78/19/434147819.db2.gz NGVPFZLEDWEHLA-DFNIBXOVSA-N 2 1 323.440 3.033 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](CCCO)c1ccccc1 ZINC000422983160 434152460 /nfs/dbraw/zinc/15/24/60/434152460.db2.gz YROGJDRUNNENCO-PWIZWCRZSA-N 2 1 312.457 3.048 20 0 DGADMP CC/C=C/CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363832081 434160852 /nfs/dbraw/zinc/16/08/52/434160852.db2.gz VTYJLJDVXFFYJR-AATRIKPKSA-N 2 1 321.553 3.471 20 0 DGADMP CC/C=C/CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363832081 434160860 /nfs/dbraw/zinc/16/08/60/434160860.db2.gz VTYJLJDVXFFYJR-AATRIKPKSA-N 3 1 321.553 3.471 20 0 DGADMP CC/C=C/CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363832081 434160869 /nfs/dbraw/zinc/16/08/69/434160869.db2.gz VTYJLJDVXFFYJR-AATRIKPKSA-N 3 1 321.553 3.471 20 0 DGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000423003112 434162720 /nfs/dbraw/zinc/16/27/20/434162720.db2.gz GZEUETMTUGSENN-OTWHNJEPSA-N 2 1 324.472 3.152 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000423002723 434163166 /nfs/dbraw/zinc/16/31/66/434163166.db2.gz ZJPSIXMSRJNJTP-CRAIPNDOSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1CC(C)C ZINC000423002723 434163175 /nfs/dbraw/zinc/16/31/75/434163175.db2.gz ZJPSIXMSRJNJTP-CRAIPNDOSA-N 2 1 318.509 3.010 20 0 DGADMP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000423009238 434164923 /nfs/dbraw/zinc/16/49/23/434164923.db2.gz VHJAKUBRNKAKJW-HKUYNNGSSA-N 2 1 319.408 3.478 20 0 DGADMP C[N@@H+](CCN1CCC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000450428039 434170071 /nfs/dbraw/zinc/17/00/71/434170071.db2.gz UYWJACQIRUVKMS-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP CC[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CCCC[NH2+]1 ZINC000423023139 434171762 /nfs/dbraw/zinc/17/17/62/434171762.db2.gz JDIKBODZGGLRDY-HUUCEWRRSA-N 2 1 309.523 3.493 20 0 DGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)sc1C ZINC000353492056 434172592 /nfs/dbraw/zinc/17/25/92/434172592.db2.gz NFVWHDFMVVXZIN-FVQBIDKESA-N 2 1 307.507 3.019 20 0 DGADMP CC[C@H](C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1)[NH+]1CCCC1 ZINC000513519891 294475825 /nfs/dbraw/zinc/47/58/25/294475825.db2.gz RNDVSNUMCZNOMO-UYAOXDASSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000316612177 434189957 /nfs/dbraw/zinc/18/99/57/434189957.db2.gz ZRFLGMIRUWYMIH-AKHDSKFASA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)c1c[nH+]ccc1N ZINC000423049969 434191047 /nfs/dbraw/zinc/19/10/47/434191047.db2.gz KNSAAEYDMZUSEG-GFCCVEGCSA-N 2 1 305.372 3.446 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCO[C@@H]1C1CC1 ZINC000423055987 434192788 /nfs/dbraw/zinc/19/27/88/434192788.db2.gz XKZKJXVKOGLFTL-IYWMVGAKSA-N 2 1 314.473 3.275 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000316753338 434192820 /nfs/dbraw/zinc/19/28/20/434192820.db2.gz UMYCVXIPKFARNN-JEWRLFTDSA-N 2 1 300.446 3.078 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000316753338 434192830 /nfs/dbraw/zinc/19/28/30/434192830.db2.gz UMYCVXIPKFARNN-JEWRLFTDSA-N 2 1 300.446 3.078 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000378466273 434193823 /nfs/dbraw/zinc/19/38/23/434193823.db2.gz ZXYZMZRGRIQSDX-LJQANCHMSA-N 2 1 313.445 3.339 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423066402 434203386 /nfs/dbraw/zinc/20/33/86/434203386.db2.gz WVPSRRYHJNRSTI-HSALFYBXSA-N 3 1 315.505 3.147 20 0 DGADMP CC[C@H](CCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286295125 434220856 /nfs/dbraw/zinc/22/08/56/434220856.db2.gz WKGPMVIYDQQLKL-QHGAOEGBSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1Br ZINC000423071120 434204339 /nfs/dbraw/zinc/20/43/39/434204339.db2.gz OBNVMXCTSPRSSF-FZMZJTMJSA-N 2 1 311.267 3.235 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000423085292 434210390 /nfs/dbraw/zinc/21/03/90/434210390.db2.gz JTJJXICKJNOJRX-LSTHTHJFSA-N 2 1 312.457 3.312 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437063933 434211920 /nfs/dbraw/zinc/21/19/20/434211920.db2.gz GRRBXWBXCVQALI-DYVFJYSZSA-N 2 1 319.880 3.304 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000357851210 434212976 /nfs/dbraw/zinc/21/29/76/434212976.db2.gz LTFJKYSFUBFNTE-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000357851210 434212980 /nfs/dbraw/zinc/21/29/80/434212980.db2.gz LTFJKYSFUBFNTE-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092451 434213347 /nfs/dbraw/zinc/21/33/47/434213347.db2.gz BXYHTGPZTWDCAY-IYWMVGAKSA-N 2 1 319.537 3.294 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423101848 434216942 /nfs/dbraw/zinc/21/69/42/434216942.db2.gz DHKHMFOTVIJZJL-JQWIXIFHSA-N 2 1 315.230 3.381 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423099952 434217212 /nfs/dbraw/zinc/21/72/12/434217212.db2.gz FXBYQIMDLQQVEI-YESZJQIVSA-N 2 1 309.885 3.192 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295126133 434218888 /nfs/dbraw/zinc/21/88/88/434218888.db2.gz XIPPUYAHTDJCCC-XGXHKWSGSA-N 2 1 316.489 3.036 20 0 DGADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000295186408 434245334 /nfs/dbraw/zinc/24/53/34/434245334.db2.gz NIJNYCSIZFCXSR-NSHDSACASA-N 2 1 300.406 3.157 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccccc21 ZINC000423147800 434248621 /nfs/dbraw/zinc/24/86/21/434248621.db2.gz DLZTZFWNXTWNTR-CABCVRRESA-N 2 1 302.466 3.298 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000379616181 434257220 /nfs/dbraw/zinc/25/72/20/434257220.db2.gz BTDUOMMWZRNUSP-YTQUADARSA-N 2 1 304.478 3.444 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCOC1 ZINC000379633402 434258752 /nfs/dbraw/zinc/25/87/52/434258752.db2.gz UHRRZYPMQZPMIH-FFGOWVMKSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCOC1 ZINC000379633402 434258760 /nfs/dbraw/zinc/25/87/60/434258760.db2.gz UHRRZYPMQZPMIH-FFGOWVMKSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379638618 434260696 /nfs/dbraw/zinc/26/06/96/434260696.db2.gz URERSDLNODSCNT-WMZOPIPTSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186996 434273589 /nfs/dbraw/zinc/27/35/89/434273589.db2.gz KSLXHRZVJSPFHU-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000423106888 434222704 /nfs/dbraw/zinc/22/27/04/434222704.db2.gz ROOFGUMVZPQWTK-MSOLQXFVSA-N 2 1 307.526 3.010 20 0 DGADMP C[C@](CO)(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423111573 434222891 /nfs/dbraw/zinc/22/28/91/434222891.db2.gz QPOWTFPVGQKAOB-QHAWAJNXSA-N 2 1 324.468 3.020 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000319466511 434224756 /nfs/dbraw/zinc/22/47/56/434224756.db2.gz PUPSVLXVJHPBAC-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106058 434224941 /nfs/dbraw/zinc/22/49/41/434224941.db2.gz JHNWMOFVHCOZCN-YCVVXREPSA-N 2 1 302.462 3.068 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1F ZINC000423117170 434228037 /nfs/dbraw/zinc/22/80/37/434228037.db2.gz UCLSAHPHTRPMPS-QEWYBTABSA-N 2 1 306.425 3.201 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573016 434237681 /nfs/dbraw/zinc/23/76/81/434237681.db2.gz UBWYYUPZBAWHHO-IRXDYDNUSA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573016 434237691 /nfs/dbraw/zinc/23/76/91/434237691.db2.gz UBWYYUPZBAWHHO-IRXDYDNUSA-N 2 1 321.509 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423127897 434238034 /nfs/dbraw/zinc/23/80/34/434238034.db2.gz PXZKFBOWYXFWCL-ISVAXAHUSA-N 2 1 308.294 3.201 20 0 DGADMP CCSc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423133359 434238180 /nfs/dbraw/zinc/23/81/80/434238180.db2.gz QIYPPNMLARKZTG-RCCFBDPRSA-N 2 1 320.502 3.045 20 0 DGADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)C[C@H]1c1ccccc1 ZINC000423205981 434280654 /nfs/dbraw/zinc/28/06/54/434280654.db2.gz WOGQPRZFJHCXHJ-OALUTQOASA-N 2 1 315.505 3.463 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000295259633 434281737 /nfs/dbraw/zinc/28/17/37/434281737.db2.gz UYGIDWOHRHVOQF-SFHVURJKSA-N 2 1 302.462 3.330 20 0 DGADMP FC1(F)CC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000383279058 434282530 /nfs/dbraw/zinc/28/25/30/434282530.db2.gz OTQGGCXDVRBUAL-ZWKOTPCHSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000383279058 434282539 /nfs/dbraw/zinc/28/25/39/434282539.db2.gz OTQGGCXDVRBUAL-ZWKOTPCHSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000383279058 434282550 /nfs/dbraw/zinc/28/25/50/434282550.db2.gz OTQGGCXDVRBUAL-ZWKOTPCHSA-N 2 1 320.427 3.486 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358009190 434283398 /nfs/dbraw/zinc/28/33/98/434283398.db2.gz CPQHEQLKIFQKGS-DAYGRLMNSA-N 2 1 317.477 3.101 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358009190 434283407 /nfs/dbraw/zinc/28/34/07/434283407.db2.gz CPQHEQLKIFQKGS-DAYGRLMNSA-N 2 1 317.477 3.101 20 0 DGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423211763 434285175 /nfs/dbraw/zinc/28/51/75/434285175.db2.gz YUNJKUDBMCEJNZ-SJLPKXTDSA-N 2 1 302.462 3.304 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C[NH+](C)C ZINC000383723520 434288799 /nfs/dbraw/zinc/28/87/99/434288799.db2.gz VVBABJIOEXWCCQ-SNVBAGLBSA-N 2 1 319.674 3.390 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423216366 434291723 /nfs/dbraw/zinc/29/17/23/434291723.db2.gz RUHLPMKONWYUSO-VXGBXAGGSA-N 2 1 302.340 3.235 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(Br)c1)C1CC([NH3+])C1 ZINC000384735461 434295489 /nfs/dbraw/zinc/29/54/89/434295489.db2.gz BZEBGRQIJRUADM-UHFFFAOYSA-N 2 1 303.631 3.024 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC([NH3+])C1 ZINC000384735461 434295499 /nfs/dbraw/zinc/29/54/99/434295499.db2.gz BZEBGRQIJRUADM-UHFFFAOYSA-N 2 1 303.631 3.024 20 0 DGADMP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818118 434311981 /nfs/dbraw/zinc/31/19/81/434311981.db2.gz FRHMRPCIGKWEHB-VAMGGRTRSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818118 434311991 /nfs/dbraw/zinc/31/19/91/434311991.db2.gz FRHMRPCIGKWEHB-VAMGGRTRSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1C[C@@H](NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383592 434321794 /nfs/dbraw/zinc/32/17/94/434321794.db2.gz JLGBPRFACVOOOU-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383592 434321802 /nfs/dbraw/zinc/32/18/02/434321802.db2.gz JLGBPRFACVOOOU-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383592 434321806 /nfs/dbraw/zinc/32/18/06/434321806.db2.gz JLGBPRFACVOOOU-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383592 434321819 /nfs/dbraw/zinc/32/18/19/434321819.db2.gz JLGBPRFACVOOOU-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312735 434322202 /nfs/dbraw/zinc/32/22/02/434322202.db2.gz BOSNCIXYLFNNCL-RBUKOAKNSA-N 2 1 315.505 3.148 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312735 434322207 /nfs/dbraw/zinc/32/22/07/434322207.db2.gz BOSNCIXYLFNNCL-RBUKOAKNSA-N 2 1 315.505 3.148 20 0 DGADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCCC2)C[C@H]1c1ccccc1 ZINC000423263739 434323127 /nfs/dbraw/zinc/32/31/27/434323127.db2.gz OUSBZJKHBULUPL-ZCNNSNEGSA-N 2 1 315.505 3.319 20 0 DGADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423269371 434329958 /nfs/dbraw/zinc/32/99/58/434329958.db2.gz FPXVHJWQKMMYJH-RBZYPMLTSA-N 2 1 317.260 3.476 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423326729 434363971 /nfs/dbraw/zinc/36/39/71/434363971.db2.gz MWOKAKAWSZBRQM-OTYXRUKQSA-N 2 1 322.250 3.245 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423330894 434364482 /nfs/dbraw/zinc/36/44/82/434364482.db2.gz UJJDLXWEMXGPKR-GJZGRUSLSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000423326680 434365910 /nfs/dbraw/zinc/36/59/10/434365910.db2.gz JOFJPGVPUQUGEX-OAHLLOKOSA-N 2 1 315.461 3.129 20 0 DGADMP CSc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000366230188 434365958 /nfs/dbraw/zinc/36/59/58/434365958.db2.gz CAYBSUFPCQGNKM-CFVMTHIKSA-N 2 1 324.465 3.061 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000366230188 434365972 /nfs/dbraw/zinc/36/59/72/434365972.db2.gz CAYBSUFPCQGNKM-CFVMTHIKSA-N 2 1 324.465 3.061 20 0 DGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423330094 434367371 /nfs/dbraw/zinc/36/73/71/434367371.db2.gz TXBKKCXJUYVBIN-BBRMVZONSA-N 2 1 306.450 3.262 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390724364 434368068 /nfs/dbraw/zinc/36/80/68/434368068.db2.gz LATKFPIQORBUMU-YSTOQKLRSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390724364 434368074 /nfs/dbraw/zinc/36/80/74/434368074.db2.gz LATKFPIQORBUMU-YSTOQKLRSA-N 2 1 314.473 3.056 20 0 DGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423339723 434370269 /nfs/dbraw/zinc/37/02/69/434370269.db2.gz ZNEKNUFBJHUULN-WOJBJXKFSA-N 2 1 310.441 3.306 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907017 434377008 /nfs/dbraw/zinc/37/70/08/434377008.db2.gz LPDCLUHOGIBNSH-VQTJNVASSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907017 434377020 /nfs/dbraw/zinc/37/70/20/434377020.db2.gz LPDCLUHOGIBNSH-VQTJNVASSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000423369655 434383046 /nfs/dbraw/zinc/38/30/46/434383046.db2.gz GCBKXTUQVDEJBW-JFGNBEQYSA-N 2 1 315.230 3.379 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000391868754 434385641 /nfs/dbraw/zinc/38/56/41/434385641.db2.gz YWYSRRFWACMLGH-CALCHBBNSA-N 2 1 311.429 3.081 20 0 DGADMP COc1cccc2c(N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc(C)nc12 ZINC000366111159 434336284 /nfs/dbraw/zinc/33/62/84/434336284.db2.gz LLVCCHMYGRAYFV-LJQANCHMSA-N 2 1 311.429 3.084 20 0 DGADMP COc1cccc2c(N3CC[C@@]4(CC[N@H+](C)C4)C3)cc(C)[nH+]c12 ZINC000366111159 434336288 /nfs/dbraw/zinc/33/62/88/434336288.db2.gz LLVCCHMYGRAYFV-LJQANCHMSA-N 2 1 311.429 3.084 20 0 DGADMP COc1cccc2c(N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc(C)[nH+]c12 ZINC000366111159 434336299 /nfs/dbraw/zinc/33/62/99/434336299.db2.gz LLVCCHMYGRAYFV-LJQANCHMSA-N 2 1 311.429 3.084 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000423274807 434336401 /nfs/dbraw/zinc/33/64/01/434336401.db2.gz MNOXLRJLIYZCIN-NOZJJQNGSA-N 2 1 303.219 3.222 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423283483 434337877 /nfs/dbraw/zinc/33/78/77/434337877.db2.gz FHDMTZIVLPHTCV-GFCCVEGCSA-N 2 1 303.475 3.430 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423282973 434337918 /nfs/dbraw/zinc/33/79/18/434337918.db2.gz DQLCBUZBSXHDRA-CQSZACIVSA-N 2 1 320.481 3.385 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423284041 434338946 /nfs/dbraw/zinc/33/89/46/434338946.db2.gz YBTRFNPHHVTRNH-UWVGGRQHSA-N 2 1 303.219 3.094 20 0 DGADMP Cc1ccccc1[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162672 434347800 /nfs/dbraw/zinc/34/78/00/434347800.db2.gz IBEFTCWCOLRPQD-HKUYNNGSSA-N 2 1 302.462 3.243 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000423303404 434349754 /nfs/dbraw/zinc/34/97/54/434349754.db2.gz XAZCCOCPAYKGRE-CZUORRHYSA-N 2 1 308.466 3.050 20 0 DGADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000417320638 434355818 /nfs/dbraw/zinc/35/58/18/434355818.db2.gz KDZQJBSPPMRPAZ-ROUUACIJSA-N 2 1 309.542 3.209 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000423322779 434357571 /nfs/dbraw/zinc/35/75/71/434357571.db2.gz GYMKOUVUHACEFS-WCIQWLHISA-N 2 1 314.473 3.309 20 0 DGADMP CCn1cc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000287423287 434357989 /nfs/dbraw/zinc/35/79/89/434357989.db2.gz SLGHQJUQYRUWDL-TXPKVOOTSA-N 2 1 312.461 3.217 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749726 434394294 /nfs/dbraw/zinc/39/42/94/434394294.db2.gz GMYVQDUVFPPYIC-ZFWWWQNUSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749726 434394305 /nfs/dbraw/zinc/39/43/05/434394305.db2.gz GMYVQDUVFPPYIC-ZFWWWQNUSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749726 434394314 /nfs/dbraw/zinc/39/43/14/434394314.db2.gz GMYVQDUVFPPYIC-ZFWWWQNUSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccs2)C[C@@H]1C ZINC000353749726 434394325 /nfs/dbraw/zinc/39/43/25/434394325.db2.gz GMYVQDUVFPPYIC-ZFWWWQNUSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000353749232 434396445 /nfs/dbraw/zinc/39/64/45/434396445.db2.gz VDULXAZEVXTDQC-VQIMIIECSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000353749232 434396456 /nfs/dbraw/zinc/39/64/56/434396456.db2.gz VDULXAZEVXTDQC-VQIMIIECSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000353749232 434396466 /nfs/dbraw/zinc/39/64/66/434396466.db2.gz VDULXAZEVXTDQC-VQIMIIECSA-N 2 1 312.461 3.177 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000287592893 434403369 /nfs/dbraw/zinc/40/33/69/434403369.db2.gz RQYLLPJCHUWZHO-LFGUQSLTSA-N 2 1 316.489 3.159 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438103168 434406374 /nfs/dbraw/zinc/40/63/74/434406374.db2.gz XNCOQPRTIGPOTQ-QFBILLFUSA-N 2 1 322.468 3.362 20 0 DGADMP CC[N@@H+](CC[C@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438110737 434411243 /nfs/dbraw/zinc/41/12/43/434411243.db2.gz VJOZPNZZDCOUTO-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@H]1CCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438110737 434411257 /nfs/dbraw/zinc/41/12/57/434411257.db2.gz VJOZPNZZDCOUTO-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@H]1CCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438110737 434411268 /nfs/dbraw/zinc/41/12/68/434411268.db2.gz VJOZPNZZDCOUTO-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1cnccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295551169 434411381 /nfs/dbraw/zinc/41/13/81/434411381.db2.gz YIMVFNSVKZUPGX-FXAWDEMLSA-N 2 1 309.457 3.390 20 0 DGADMP COC[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CCCC2)CCC[NH2+]1 ZINC000423416130 434411936 /nfs/dbraw/zinc/41/19/36/434411936.db2.gz QDGNDTUAMYMDIC-OALUTQOASA-N 2 1 302.462 3.276 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000348634788 434421440 /nfs/dbraw/zinc/42/14/40/434421440.db2.gz MJFRSXUBQBIOPF-RTBURBONSA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000348634788 434421448 /nfs/dbraw/zinc/42/14/48/434421448.db2.gz MJFRSXUBQBIOPF-RTBURBONSA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000348634788 434421454 /nfs/dbraw/zinc/42/14/54/434421454.db2.gz MJFRSXUBQBIOPF-RTBURBONSA-N 2 1 316.514 3.338 20 0 DGADMP Brc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430978 434421936 /nfs/dbraw/zinc/42/19/36/434421936.db2.gz MZRAGOUJZXMFDT-QXSJWSMHSA-N 2 1 321.262 3.024 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000396882016 434426085 /nfs/dbraw/zinc/42/60/85/434426085.db2.gz LLHJPODEZYBQMG-KBAYOESNSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000396882016 434426092 /nfs/dbraw/zinc/42/60/92/434426092.db2.gz LLHJPODEZYBQMG-KBAYOESNSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000397493831 434437915 /nfs/dbraw/zinc/43/79/15/434437915.db2.gz NVZVEVJMVDZXEZ-YLJYHZDGSA-N 2 1 315.505 3.019 20 0 DGADMP c1ccc(OCCCC[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000438202882 434438249 /nfs/dbraw/zinc/43/82/49/434438249.db2.gz QHVGRPGYMKEAIH-KRWDZBQOSA-N 2 1 302.462 3.452 20 0 DGADMP c1ccc(OCCCC[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000438202882 434438259 /nfs/dbraw/zinc/43/82/59/434438259.db2.gz QHVGRPGYMKEAIH-KRWDZBQOSA-N 2 1 302.462 3.452 20 0 DGADMP C[N@@H+](CCOC1CCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000287737426 434438356 /nfs/dbraw/zinc/43/83/56/434438356.db2.gz KZAFZZHAWKWJJS-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCOC1CCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287737426 434438372 /nfs/dbraw/zinc/43/83/72/434438372.db2.gz KZAFZZHAWKWJJS-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCOC1CCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287737426 434438383 /nfs/dbraw/zinc/43/83/83/434438383.db2.gz KZAFZZHAWKWJJS-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC000397402083 434438825 /nfs/dbraw/zinc/43/88/25/434438825.db2.gz NNPUBFPCRWSWBC-VNHYZAJKSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC000397402083 434438832 /nfs/dbraw/zinc/43/88/32/434438832.db2.gz NNPUBFPCRWSWBC-VNHYZAJKSA-N 2 1 317.408 3.286 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500237 434459343 /nfs/dbraw/zinc/45/93/43/434459343.db2.gz KGNWGGRSLMMNID-SUMWQHHRSA-N 2 1 320.477 3.050 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399809207 434482955 /nfs/dbraw/zinc/48/29/55/434482955.db2.gz GIUQEDIEOUOVBY-ICSRJNTNSA-N 2 1 323.484 3.433 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cc1 ZINC000402110221 434499492 /nfs/dbraw/zinc/49/94/92/434499492.db2.gz ANLAUQIJORQFSJ-LJQANCHMSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000398226597 434454918 /nfs/dbraw/zinc/45/49/18/434454918.db2.gz YFESBKXIPSHZBX-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000398226597 434454926 /nfs/dbraw/zinc/45/49/26/434454926.db2.gz YFESBKXIPSHZBX-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000348707248 434456188 /nfs/dbraw/zinc/45/61/88/434456188.db2.gz RVUOMZISFHWKEE-UHFFFAOYSA-N 2 1 324.472 3.726 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423492458 434456470 /nfs/dbraw/zinc/45/64/70/434456470.db2.gz NDTRYGNENBJRTB-SJORKVTESA-N 2 1 310.869 3.395 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000398181652 434456675 /nfs/dbraw/zinc/45/66/75/434456675.db2.gz XDUSUHZUHQFCFY-BHIYHBOVSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423492455 434456839 /nfs/dbraw/zinc/45/68/39/434456839.db2.gz NDTRYGNENBJRTB-DLBZAZTESA-N 2 1 310.869 3.395 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000398126703 434456973 /nfs/dbraw/zinc/45/69/73/434456973.db2.gz RQLZIFDMDSVBRB-QYZOEREBSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000398126703 434456979 /nfs/dbraw/zinc/45/69/79/434456979.db2.gz RQLZIFDMDSVBRB-QYZOEREBSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423500145 434458123 /nfs/dbraw/zinc/45/81/23/434458123.db2.gz CTOWJZUTQCTCDQ-HOCLYGCPSA-N 2 1 308.491 3.216 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cccn2)cc1 ZINC000296103035 434508852 /nfs/dbraw/zinc/50/88/52/434508852.db2.gz YVXUDHJUMTXLIH-NMACRGETSA-N 2 1 310.445 3.148 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473908 434515472 /nfs/dbraw/zinc/51/54/72/434515472.db2.gz UPEGDSFNAAAIGK-KDOFPFPSSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473908 434515484 /nfs/dbraw/zinc/51/54/84/434515484.db2.gz UPEGDSFNAAAIGK-KDOFPFPSSA-N 2 1 315.486 3.452 20 0 DGADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cc(Br)ccc2C)C1 ZINC000438905616 434541930 /nfs/dbraw/zinc/54/19/30/434541930.db2.gz RCLFMGPVEPFZJS-DOMZBBRYSA-N 2 1 311.267 3.187 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cc(Br)ccc2C)C1 ZINC000438905616 434541932 /nfs/dbraw/zinc/54/19/32/434541932.db2.gz RCLFMGPVEPFZJS-DOMZBBRYSA-N 2 1 311.267 3.187 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2COC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000417945304 434553162 /nfs/dbraw/zinc/55/31/62/434553162.db2.gz DDBFGTIOPZTBTM-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417947842 434555777 /nfs/dbraw/zinc/55/57/77/434555777.db2.gz UIHHFYCLEBGRCX-IIAWOOMASA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417947842 434555786 /nfs/dbraw/zinc/55/57/86/434555786.db2.gz UIHHFYCLEBGRCX-IIAWOOMASA-N 2 1 308.491 3.288 20 0 DGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000525857281 295038664 /nfs/dbraw/zinc/03/86/64/295038664.db2.gz VPZAUERVHOPIEX-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP COC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000527099352 295077361 /nfs/dbraw/zinc/07/73/61/295077361.db2.gz FZWXNHMBEIGJNS-LJQANCHMSA-N 2 1 304.478 3.303 20 0 DGADMP COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663943 295112090 /nfs/dbraw/zinc/11/20/90/295112090.db2.gz ARDWFMIZVVOWOK-BXUZGUMPSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663943 295112094 /nfs/dbraw/zinc/11/20/94/295112094.db2.gz ARDWFMIZVVOWOK-BXUZGUMPSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663943 295112096 /nfs/dbraw/zinc/11/20/96/295112096.db2.gz ARDWFMIZVVOWOK-BXUZGUMPSA-N 2 1 316.367 3.286 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527668724 295112749 /nfs/dbraw/zinc/11/27/49/295112749.db2.gz DTHQCQNJXUAING-UHFFFAOYSA-N 2 1 315.461 3.147 20 0 DGADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(C(F)(F)F)c1 ZINC000527686047 295115387 /nfs/dbraw/zinc/11/53/87/295115387.db2.gz VNILVJDVEDIBEC-UHFFFAOYSA-N 2 1 314.351 3.066 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527718244 295120130 /nfs/dbraw/zinc/12/01/30/295120130.db2.gz HHEJRVAMIPWRES-NSHDSACASA-N 2 1 302.796 3.440 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527854521 295140566 /nfs/dbraw/zinc/14/05/66/295140566.db2.gz SFJFJMRDFUKQNE-IBGZPJMESA-N 2 1 304.478 3.393 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392246 295207084 /nfs/dbraw/zinc/20/70/84/295207084.db2.gz BYCAPZFPZVZOKG-LJQANCHMSA-N 2 1 322.468 3.189 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccc(F)cc2)OC)C[C@H]1C ZINC000528393856 295207321 /nfs/dbraw/zinc/20/73/21/295207321.db2.gz HCTKIWBZPUDWPJ-AYOQOUSVSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)C[C@H]1C ZINC000528393856 295207322 /nfs/dbraw/zinc/20/73/22/295207322.db2.gz HCTKIWBZPUDWPJ-AYOQOUSVSA-N 2 1 322.468 3.188 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)C[C@H]1C ZINC000528393856 295207324 /nfs/dbraw/zinc/20/73/24/295207324.db2.gz HCTKIWBZPUDWPJ-AYOQOUSVSA-N 2 1 322.468 3.188 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000180751180 295234855 /nfs/dbraw/zinc/23/48/55/295234855.db2.gz BKUNYJQAHIZMKE-SZVBFZGTSA-N 2 1 302.462 3.215 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000180751180 295234857 /nfs/dbraw/zinc/23/48/57/295234857.db2.gz BKUNYJQAHIZMKE-SZVBFZGTSA-N 2 1 302.462 3.215 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000180751180 295234858 /nfs/dbraw/zinc/23/48/58/295234858.db2.gz BKUNYJQAHIZMKE-SZVBFZGTSA-N 2 1 302.462 3.215 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459432659 434583846 /nfs/dbraw/zinc/58/38/46/434583846.db2.gz SKVFZLCGVVOXIJ-ROUUACIJSA-N 2 1 316.493 3.344 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000337071327 295276263 /nfs/dbraw/zinc/27/62/63/295276263.db2.gz NINVPGRTKHZNDO-ICSRJNTNSA-N 2 1 310.441 3.130 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452062464 434584674 /nfs/dbraw/zinc/58/46/74/434584674.db2.gz SLZYVOMATWZLQX-HOCLYGCPSA-N 2 1 308.491 3.026 20 0 DGADMP Cc1c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cnn1C ZINC000354025222 434585481 /nfs/dbraw/zinc/58/54/81/434585481.db2.gz AITVRJFGYSMNOF-INIZCTEOSA-N 2 1 318.509 3.205 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414744330 295319433 /nfs/dbraw/zinc/31/94/33/295319433.db2.gz PKCIGNVKLPANTE-MKSNKDDYSA-N 2 1 302.462 3.466 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)CC1 ZINC000349151810 434621687 /nfs/dbraw/zinc/62/16/87/434621687.db2.gz OOURCONVIIFBGU-CYBMUJFWSA-N 2 1 312.379 3.268 20 0 DGADMP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000360498675 434623467 /nfs/dbraw/zinc/62/34/67/434623467.db2.gz BXSWRQPNJAKQFR-INIZCTEOSA-N 2 1 305.491 3.435 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349366223 434693494 /nfs/dbraw/zinc/69/34/94/434693494.db2.gz JDZNSZPHSIYIHG-UHFFFAOYSA-N 2 1 300.381 3.334 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349366223 434693500 /nfs/dbraw/zinc/69/35/00/434693500.db2.gz JDZNSZPHSIYIHG-UHFFFAOYSA-N 2 1 300.381 3.334 20 0 DGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424322384 434697217 /nfs/dbraw/zinc/69/72/17/434697217.db2.gz JRPYZBKUQQMQBV-HUUCEWRRSA-N 2 1 312.498 3.064 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360617135 434649961 /nfs/dbraw/zinc/64/99/61/434649961.db2.gz VSGZBJJAIWREFE-OWCLPIDISA-N 2 1 312.461 3.100 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000354166176 434650374 /nfs/dbraw/zinc/65/03/74/434650374.db2.gz JDUHWUKURPXDOZ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000354166176 434650379 /nfs/dbraw/zinc/65/03/79/434650379.db2.gz JDUHWUKURPXDOZ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000354166176 434650387 /nfs/dbraw/zinc/65/03/87/434650387.db2.gz JDUHWUKURPXDOZ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000354166176 434650392 /nfs/dbraw/zinc/65/03/92/434650392.db2.gz JDUHWUKURPXDOZ-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424327836 434699461 /nfs/dbraw/zinc/69/94/61/434699461.db2.gz PBPJWEXXKFPVON-RBSFLKMASA-N 2 1 312.498 3.063 20 0 DGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295085 434663993 /nfs/dbraw/zinc/66/39/93/434663993.db2.gz OQVLBUIJEQWIRF-CGTJXYLNSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295085 434663998 /nfs/dbraw/zinc/66/39/98/434663998.db2.gz OQVLBUIJEQWIRF-CGTJXYLNSA-N 2 1 320.502 3.092 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000459753299 434699668 /nfs/dbraw/zinc/69/96/68/434699668.db2.gz IXCSVFZRMQELRT-RDBSUJKOSA-N 2 1 305.491 3.188 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000459753299 434699678 /nfs/dbraw/zinc/69/96/78/434699678.db2.gz IXCSVFZRMQELRT-RDBSUJKOSA-N 2 1 305.491 3.188 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424282779 434674970 /nfs/dbraw/zinc/67/49/70/434674970.db2.gz ALJOBGRYVCVBPD-OAHLLOKOSA-N 2 1 320.502 3.251 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000459723757 434675628 /nfs/dbraw/zinc/67/56/28/434675628.db2.gz CUBTUNFEDXCWPV-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223933 434677506 /nfs/dbraw/zinc/67/75/06/434677506.db2.gz MAUWRAICXQVXMB-FUHWJXTLSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1OC(F)F)CC[NH2+]CC2 ZINC000424286604 434678839 /nfs/dbraw/zinc/67/88/39/434678839.db2.gz HLCHRZNGASGHQY-ZDUSSCGKSA-N 2 1 310.388 3.252 20 0 DGADMP COc1ccc2oc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cc2c1 ZINC000459730040 434679146 /nfs/dbraw/zinc/67/91/46/434679146.db2.gz JSPHDDSISFZQBM-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000459726259 434680379 /nfs/dbraw/zinc/68/03/79/434680379.db2.gz BLQJVVBCCWQAEX-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccoc3)n1)CC[NH2+]CC2 ZINC000424292043 434680662 /nfs/dbraw/zinc/68/06/62/434680662.db2.gz NYFTZZCLQYISPQ-CYBMUJFWSA-N 2 1 317.458 3.367 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459731978 434682044 /nfs/dbraw/zinc/68/20/44/434682044.db2.gz LQOBXTBFYVAAFF-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000424301166 434686488 /nfs/dbraw/zinc/68/64/88/434686488.db2.gz XHYPDHBYORFGAH-OAHLLOKOSA-N 2 1 311.429 3.306 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459736537 434688023 /nfs/dbraw/zinc/68/80/23/434688023.db2.gz GLFLVHUTSRTYIA-KANFNMMFSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459736537 434688030 /nfs/dbraw/zinc/68/80/30/434688030.db2.gz GLFLVHUTSRTYIA-KANFNMMFSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@@H+]1C ZINC000424311934 434691026 /nfs/dbraw/zinc/69/10/26/434691026.db2.gz LLYIPBSHCKMWCO-OIISXLGYSA-N 2 1 315.486 3.499 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@H+]1C ZINC000424311934 434691031 /nfs/dbraw/zinc/69/10/31/434691031.db2.gz LLYIPBSHCKMWCO-OIISXLGYSA-N 2 1 315.486 3.499 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204103 434752370 /nfs/dbraw/zinc/75/23/70/434752370.db2.gz ITBQECVTTINJNX-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204103 434752377 /nfs/dbraw/zinc/75/23/77/434752377.db2.gz ITBQECVTTINJNX-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000419204103 434752383 /nfs/dbraw/zinc/75/23/83/434752383.db2.gz ITBQECVTTINJNX-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOCC2CCC2)C1 ZINC000419204103 434752391 /nfs/dbraw/zinc/75/23/91/434752391.db2.gz ITBQECVTTINJNX-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349399152 434703561 /nfs/dbraw/zinc/70/35/61/434703561.db2.gz CGOLAVNDCBTZQQ-CMTQZCSUSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349399152 434703567 /nfs/dbraw/zinc/70/35/67/434703567.db2.gz CGOLAVNDCBTZQQ-CMTQZCSUSA-N 2 1 316.489 3.443 20 0 DGADMP C[N@@H+](CCOCC1CCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000419224251 434754307 /nfs/dbraw/zinc/75/43/07/434754307.db2.gz ZKIDWOJQHSIVFE-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCOCC1CCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419224251 434754315 /nfs/dbraw/zinc/75/43/15/434754315.db2.gz ZKIDWOJQHSIVFE-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCOCC1CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419224251 434754321 /nfs/dbraw/zinc/75/43/21/434754321.db2.gz ZKIDWOJQHSIVFE-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(C3CCC3)s1)CC[NH2+]CC2 ZINC000424375884 434714539 /nfs/dbraw/zinc/71/45/39/434714539.db2.gz KJZOYWLVJKJYMR-ZDUSSCGKSA-N 2 1 305.491 3.375 20 0 DGADMP CCn1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c2ccccc21 ZINC000424382415 434716163 /nfs/dbraw/zinc/71/61/63/434716163.db2.gz SEKTYDPMIPQMPL-HNNXBMFYSA-N 2 1 312.461 3.020 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000459776048 434716428 /nfs/dbraw/zinc/71/64/28/434716428.db2.gz JXGJMBLOWJAHDB-DOTOQJQBSA-N 2 1 320.477 3.043 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000459791893 434722192 /nfs/dbraw/zinc/72/21/92/434722192.db2.gz SBUBKTYBHSJQJZ-JKSUJKDBSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000411123457 434727198 /nfs/dbraw/zinc/72/71/98/434727198.db2.gz CZHFZWZDFPGWDH-CALCHBBNSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411162632 434735813 /nfs/dbraw/zinc/73/58/13/434735813.db2.gz HMCCYYAOBSZOFL-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411162632 434735819 /nfs/dbraw/zinc/73/58/19/434735819.db2.gz HMCCYYAOBSZOFL-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP COCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411174280 434738924 /nfs/dbraw/zinc/73/89/24/434738924.db2.gz OTMSIJWUNUTLEL-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296505 434759035 /nfs/dbraw/zinc/75/90/35/434759035.db2.gz GRFFEJWTRVDZKU-AYOQOUSVSA-N 2 1 302.437 3.345 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296505 434759043 /nfs/dbraw/zinc/75/90/43/434759043.db2.gz GRFFEJWTRVDZKU-AYOQOUSVSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296505 434759046 /nfs/dbraw/zinc/75/90/46/434759046.db2.gz GRFFEJWTRVDZKU-AYOQOUSVSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296505 434759051 /nfs/dbraw/zinc/75/90/51/434759051.db2.gz GRFFEJWTRVDZKU-AYOQOUSVSA-N 2 1 302.437 3.345 20 0 DGADMP c1cc(C[N@H+]2CC[C@]3(CCOC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411315933 434760795 /nfs/dbraw/zinc/76/07/95/434760795.db2.gz KBPDYSAJDFOTFZ-FQEVSTJZSA-N 2 1 314.473 3.285 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000411317249 434761598 /nfs/dbraw/zinc/76/15/98/434761598.db2.gz NYRWVVUMZJRVEP-FQEVSTJZSA-N 2 1 314.473 3.285 20 0 DGADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)[C@H](C)C1 ZINC000442892393 434773033 /nfs/dbraw/zinc/77/30/33/434773033.db2.gz UWGMUDLVGUDIRK-RTBURBONSA-N 2 1 321.553 3.353 20 0 DGADMP CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453061611 434788922 /nfs/dbraw/zinc/78/89/22/434788922.db2.gz LBDCNWYDGNICGN-OTWHNJEPSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000361077002 434789693 /nfs/dbraw/zinc/78/96/93/434789693.db2.gz XWRWKAROCFNTNT-JOMPHRNESA-N 2 1 315.505 3.140 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000361077002 434789709 /nfs/dbraw/zinc/78/97/09/434789709.db2.gz XWRWKAROCFNTNT-JOMPHRNESA-N 2 1 315.505 3.140 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000411519881 434793679 /nfs/dbraw/zinc/79/36/79/434793679.db2.gz UHAKRASJVFVNLD-HOTGVXAUSA-N 2 1 317.477 3.141 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000411519881 434793683 /nfs/dbraw/zinc/79/36/83/434793683.db2.gz UHAKRASJVFVNLD-HOTGVXAUSA-N 2 1 317.477 3.141 20 0 DGADMP c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CC2 ZINC000453081611 434795807 /nfs/dbraw/zinc/79/58/07/434795807.db2.gz GDBJEMIHONGBPT-IBGZPJMESA-N 2 1 324.472 3.494 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453116671 434805163 /nfs/dbraw/zinc/80/51/63/434805163.db2.gz YDSIARMDGCHHCD-JKSUJKDBSA-N 2 1 300.450 3.224 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCOC1 ZINC000411723115 434823047 /nfs/dbraw/zinc/82/30/47/434823047.db2.gz WNVQCTAFDZIKSA-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453187815 434824907 /nfs/dbraw/zinc/82/49/07/434824907.db2.gz AODWSBBDOIFCPA-ORFRNNEJSA-N 2 1 316.489 3.179 20 0 DGADMP c1cc(C[N@H+]2CCC[C@]23CCOC3)cc(C[NH+]2CCCCC2)c1 ZINC000411764965 434827275 /nfs/dbraw/zinc/82/72/75/434827275.db2.gz HZDMYQUOIYACET-HXUWFJFHSA-N 2 1 314.473 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453272369 434846321 /nfs/dbraw/zinc/84/63/21/434846321.db2.gz URWJZCZZNMYZBV-HSMVNMDESA-N 2 1 314.832 3.176 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017116 434855096 /nfs/dbraw/zinc/85/50/96/434855096.db2.gz ZBDUFVGORBXVSY-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017116 434855098 /nfs/dbraw/zinc/85/50/98/434855098.db2.gz ZBDUFVGORBXVSY-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000412017116 434855100 /nfs/dbraw/zinc/85/51/00/434855100.db2.gz ZBDUFVGORBXVSY-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000412017116 434855101 /nfs/dbraw/zinc/85/51/01/434855101.db2.gz ZBDUFVGORBXVSY-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)C[C@H]1c1ccccc1 ZINC000573127172 434875949 /nfs/dbraw/zinc/87/59/49/434875949.db2.gz VLUJZASYTBDFNL-PMACEKPBSA-N 2 1 315.505 3.288 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000573170227 434879271 /nfs/dbraw/zinc/87/92/71/434879271.db2.gz NNXGYHYJRPZHQI-SFHVURJKSA-N 2 1 317.521 3.361 20 0 DGADMP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462123346 434900763 /nfs/dbraw/zinc/90/07/63/434900763.db2.gz PUBOEOHFMSKVFD-MJGOQNOKSA-N 2 1 318.505 3.080 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000637904631 434905217 /nfs/dbraw/zinc/90/52/17/434905217.db2.gz FFLOJVOGZBSUEM-UHFFFAOYSA-N 2 1 307.457 3.352 20 0 DGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000554140669 434915395 /nfs/dbraw/zinc/91/53/95/434915395.db2.gz HGJSWNNOJVZYTM-AWEZNQCLSA-N 2 1 303.450 3.148 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000573095173 434873525 /nfs/dbraw/zinc/87/35/25/434873525.db2.gz YZOBQYIMQIOJRP-CABCVRRESA-N 2 1 315.486 3.475 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F ZINC000463265517 434950512 /nfs/dbraw/zinc/95/05/12/434950512.db2.gz KGFXYJUMDZZPNG-CQSZACIVSA-N 2 1 314.395 3.482 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000555533255 434976345 /nfs/dbraw/zinc/97/63/45/434976345.db2.gz DHGJRHXNFHQSOF-RCCFBDPRSA-N 2 1 324.509 3.210 20 0 DGADMP CC[N@@H+](CCC[C@@H]1CCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638139815 434961555 /nfs/dbraw/zinc/96/15/55/434961555.db2.gz OZPDMYAEQYMOCW-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@@H]1CCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139815 434961558 /nfs/dbraw/zinc/96/15/58/434961558.db2.gz OZPDMYAEQYMOCW-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@@H]1CCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139815 434961561 /nfs/dbraw/zinc/96/15/61/434961561.db2.gz OZPDMYAEQYMOCW-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000638180463 434973183 /nfs/dbraw/zinc/97/31/83/434973183.db2.gz VOTSVPKXERWOGM-AEFFLSMTSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000638180463 434973185 /nfs/dbraw/zinc/97/31/85/434973185.db2.gz VOTSVPKXERWOGM-AEFFLSMTSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000638180463 434973188 /nfs/dbraw/zinc/97/31/88/434973188.db2.gz VOTSVPKXERWOGM-AEFFLSMTSA-N 2 1 302.462 3.260 20 0 DGADMP Cc1cnccc1CCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000573717991 434920629 /nfs/dbraw/zinc/92/06/29/434920629.db2.gz LIALUKJMLFLJBO-HNNXBMFYSA-N 2 1 300.406 3.180 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573723385 434921640 /nfs/dbraw/zinc/92/16/40/434921640.db2.gz ZAMUWYBHAPJXNY-GUDVDZBRSA-N 2 1 314.473 3.077 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573723385 434921644 /nfs/dbraw/zinc/92/16/44/434921644.db2.gz ZAMUWYBHAPJXNY-GUDVDZBRSA-N 2 1 314.473 3.077 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573723386 434921911 /nfs/dbraw/zinc/92/19/11/434921911.db2.gz ZAMUWYBHAPJXNY-IPMKNSEASA-N 2 1 314.473 3.077 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573723386 434921916 /nfs/dbraw/zinc/92/19/16/434921916.db2.gz ZAMUWYBHAPJXNY-IPMKNSEASA-N 2 1 314.473 3.077 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000638384939 435019275 /nfs/dbraw/zinc/01/92/75/435019275.db2.gz FNSHYFPDMSQFPV-SFHVURJKSA-N 2 1 301.434 3.338 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000638448609 435033747 /nfs/dbraw/zinc/03/37/47/435033747.db2.gz VKSPBWFIRAEMTN-QLFBSQMISA-N 2 1 310.532 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000638448609 435033749 /nfs/dbraw/zinc/03/37/49/435033749.db2.gz VKSPBWFIRAEMTN-QLFBSQMISA-N 2 1 310.532 3.444 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638449033 435033756 /nfs/dbraw/zinc/03/37/56/435033756.db2.gz ZQALKEOTCIDKOB-YJBOKZPZSA-N 2 1 322.518 3.365 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638449033 435033760 /nfs/dbraw/zinc/03/37/60/435033760.db2.gz ZQALKEOTCIDKOB-YJBOKZPZSA-N 2 1 322.518 3.365 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638449758 435033836 /nfs/dbraw/zinc/03/38/36/435033836.db2.gz FTMRAYAADDOMGH-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638449758 435033840 /nfs/dbraw/zinc/03/38/40/435033840.db2.gz FTMRAYAADDOMGH-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000556810650 435027258 /nfs/dbraw/zinc/02/72/58/435027258.db2.gz GQGCLHGMPHSZEI-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1C[NH2+]C1 ZINC000574630384 434991253 /nfs/dbraw/zinc/99/12/53/434991253.db2.gz YHFDQVQLJISTNZ-LSDHHAIUSA-N 2 1 323.440 3.197 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000556093503 434995243 /nfs/dbraw/zinc/99/52/43/434995243.db2.gz KFJTVUNPPDXVRQ-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556093503 434995247 /nfs/dbraw/zinc/99/52/47/434995247.db2.gz KFJTVUNPPDXVRQ-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556093503 434995250 /nfs/dbraw/zinc/99/52/50/434995250.db2.gz KFJTVUNPPDXVRQ-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(C)C)C1 ZINC000464789728 435002567 /nfs/dbraw/zinc/00/25/67/435002567.db2.gz OFTXXSIQUUIGKF-QGZVFWFLSA-N 2 1 304.478 3.495 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(C)C)C1 ZINC000464789728 435002570 /nfs/dbraw/zinc/00/25/70/435002570.db2.gz OFTXXSIQUUIGKF-QGZVFWFLSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464789728 435002572 /nfs/dbraw/zinc/00/25/72/435002572.db2.gz OFTXXSIQUUIGKF-QGZVFWFLSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464789728 435002574 /nfs/dbraw/zinc/00/25/74/435002574.db2.gz OFTXXSIQUUIGKF-QGZVFWFLSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000638358782 435011567 /nfs/dbraw/zinc/01/15/67/435011567.db2.gz KBYHAIYPXLRCGG-USXIJHARSA-N 2 1 306.494 3.187 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000638359728 435011754 /nfs/dbraw/zinc/01/17/54/435011754.db2.gz MLFILTFUICPWHB-YNIZLOQISA-N 2 1 321.553 3.209 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000638358779 435012626 /nfs/dbraw/zinc/01/26/26/435012626.db2.gz KBYHAIYPXLRCGG-BHYGNILZSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000638611529 435059192 /nfs/dbraw/zinc/05/91/92/435059192.db2.gz HJSDRVGGLXFSPN-KRWDZBQOSA-N 2 1 324.468 3.494 20 0 DGADMP CCc1cccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000530901773 435059805 /nfs/dbraw/zinc/05/98/05/435059805.db2.gz XXWVLUBYICVTIB-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000530901773 435059810 /nfs/dbraw/zinc/05/98/10/435059810.db2.gz XXWVLUBYICVTIB-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1cccc(OCC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000530901773 435059813 /nfs/dbraw/zinc/05/98/13/435059813.db2.gz XXWVLUBYICVTIB-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638611568 435059837 /nfs/dbraw/zinc/05/98/37/435059837.db2.gz IGDPHXVPSLQBPT-PBPGXSGUSA-N 2 1 324.472 3.402 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000638669807 435066791 /nfs/dbraw/zinc/06/67/91/435066791.db2.gz CEHNPXWZJYNZEB-BFYDXBDKSA-N 2 1 308.491 3.146 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000638669807 435066795 /nfs/dbraw/zinc/06/67/95/435066795.db2.gz CEHNPXWZJYNZEB-BFYDXBDKSA-N 2 1 308.491 3.146 20 0 DGADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638693493 435071593 /nfs/dbraw/zinc/07/15/93/435071593.db2.gz UJCCLINTOLYCKO-PKOBYXMFSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638693493 435071595 /nfs/dbraw/zinc/07/15/95/435071595.db2.gz UJCCLINTOLYCKO-PKOBYXMFSA-N 2 1 316.489 3.353 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cc(C)ccc2C)C[C@H]1C ZINC000531140114 435073971 /nfs/dbraw/zinc/07/39/71/435073971.db2.gz MVEKSGVDPDGUFR-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cc(C)ccc2C)C[C@H]1C ZINC000531140114 435073975 /nfs/dbraw/zinc/07/39/75/435073975.db2.gz MVEKSGVDPDGUFR-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CC(C)OCc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000578321834 435076264 /nfs/dbraw/zinc/07/62/64/435076264.db2.gz NWBOIHPLZWLZMU-UHFFFAOYSA-N 2 1 302.462 3.328 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000558423502 435091379 /nfs/dbraw/zinc/09/13/79/435091379.db2.gz LSEXDTFDFMZGPO-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000558423502 435091383 /nfs/dbraw/zinc/09/13/83/435091383.db2.gz LSEXDTFDFMZGPO-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000638449623 435034527 /nfs/dbraw/zinc/03/45/27/435034527.db2.gz TXFUIDCIEWNXAO-HDYDNRTBSA-N 2 1 324.472 3.088 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000556924187 435038492 /nfs/dbraw/zinc/03/84/92/435038492.db2.gz QUFIACNKEKZNMY-HOTGVXAUSA-N 2 1 314.477 3.348 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000556924187 435038497 /nfs/dbraw/zinc/03/84/97/435038497.db2.gz QUFIACNKEKZNMY-HOTGVXAUSA-N 2 1 314.477 3.348 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000558423502 435091374 /nfs/dbraw/zinc/09/13/74/435091374.db2.gz LSEXDTFDFMZGPO-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000530866567 435056211 /nfs/dbraw/zinc/05/62/11/435056211.db2.gz FZJNNCBRTNHFGN-POGDKVGISA-N 2 1 302.462 3.133 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474456660 435147118 /nfs/dbraw/zinc/14/71/18/435147118.db2.gz FNBZWNGUVOWAGF-MOPGFXCFSA-N 2 1 309.542 3.209 20 0 DGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000474475154 435148610 /nfs/dbraw/zinc/14/86/10/435148610.db2.gz IBKRSGDKZNOUFB-XYJFISCASA-N 2 1 324.509 3.208 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814544 435094872 /nfs/dbraw/zinc/09/48/72/435094872.db2.gz DJVALGZZCKPZAW-POZUXBRTSA-N 2 1 310.445 3.428 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814544 435094878 /nfs/dbraw/zinc/09/48/78/435094878.db2.gz DJVALGZZCKPZAW-POZUXBRTSA-N 2 1 310.445 3.428 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677704 435109862 /nfs/dbraw/zinc/10/98/62/435109862.db2.gz QKULUIWJLFCDTI-SJLPKXTDSA-N 2 1 321.534 3.061 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000531696430 435111297 /nfs/dbraw/zinc/11/12/97/435111297.db2.gz OMGFEOZQZMWJAT-JXFKEZNVSA-N 2 1 316.489 3.432 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000531696430 435111301 /nfs/dbraw/zinc/11/13/01/435111301.db2.gz OMGFEOZQZMWJAT-JXFKEZNVSA-N 2 1 316.489 3.432 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915498 435117409 /nfs/dbraw/zinc/11/74/09/435117409.db2.gz NIHGYVKCJLIHMS-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559148256 435122615 /nfs/dbraw/zinc/12/26/15/435122615.db2.gz SKWVJXHDIZLQJF-SQIBXOBRSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969453 435123581 /nfs/dbraw/zinc/12/35/81/435123581.db2.gz HAYRLBKXSSYEHL-ZFWWWQNUSA-N 2 1 305.441 3.151 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969453 435123583 /nfs/dbraw/zinc/12/35/83/435123583.db2.gz HAYRLBKXSSYEHL-ZFWWWQNUSA-N 2 1 305.441 3.151 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400274 435131551 /nfs/dbraw/zinc/13/15/51/435131551.db2.gz GFNNVILULCFTLG-DOTOQJQBSA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400274 435131555 /nfs/dbraw/zinc/13/15/55/435131555.db2.gz GFNNVILULCFTLG-DOTOQJQBSA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400274 435131559 /nfs/dbraw/zinc/13/15/59/435131559.db2.gz GFNNVILULCFTLG-DOTOQJQBSA-N 2 1 308.853 3.277 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000469983937 435132233 /nfs/dbraw/zinc/13/22/33/435132233.db2.gz RMHHVYZQKVXBII-DZGCQCFKSA-N 2 1 312.379 3.494 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCC(C)C ZINC000579246208 435142476 /nfs/dbraw/zinc/14/24/76/435142476.db2.gz XIJINYLIOVZLJA-GDBMZVCRSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCC(C)C ZINC000579246208 435142482 /nfs/dbraw/zinc/14/24/82/435142482.db2.gz XIJINYLIOVZLJA-GDBMZVCRSA-N 2 1 306.450 3.042 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cncc(OC)c1C ZINC000639175828 435183794 /nfs/dbraw/zinc/18/37/94/435183794.db2.gz AFKQDZKXHPANLV-UHFFFAOYSA-N 2 1 316.449 3.070 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cncc(OC)c1C ZINC000639175828 435183798 /nfs/dbraw/zinc/18/37/98/435183798.db2.gz AFKQDZKXHPANLV-UHFFFAOYSA-N 2 1 316.449 3.070 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475289448 435188228 /nfs/dbraw/zinc/18/82/28/435188228.db2.gz ZAFATDGIIZUCPB-MOPGFXCFSA-N 2 1 304.478 3.159 20 0 DGADMP COc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000475347199 435192087 /nfs/dbraw/zinc/19/20/87/435192087.db2.gz GIUUXDDDGSUEGB-GOSISDBHSA-N 2 1 302.462 3.046 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639192494 435193411 /nfs/dbraw/zinc/19/34/11/435193411.db2.gz BPUAUVIOCMPOPT-LFEHRJTNSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639192494 435193415 /nfs/dbraw/zinc/19/34/15/435193415.db2.gz BPUAUVIOCMPOPT-LFEHRJTNSA-N 2 1 302.462 3.368 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000494644201 435197481 /nfs/dbraw/zinc/19/74/81/435197481.db2.gz ZMYVMWDZENOVFS-PKOBYXMFSA-N 2 1 316.489 3.338 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN(C)c2ccccc2)C[C@@H]1C ZINC000580068496 435202119 /nfs/dbraw/zinc/20/21/19/435202119.db2.gz KLVKXKOKHCMQDQ-HKUYNNGSSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN(C)c2ccccc2)C[C@@H]1C ZINC000580068496 435202124 /nfs/dbraw/zinc/20/21/24/435202124.db2.gz KLVKXKOKHCMQDQ-HKUYNNGSSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN(C)c2ccccc2)C[C@@H]1C ZINC000580068496 435202129 /nfs/dbraw/zinc/20/21/29/435202129.db2.gz KLVKXKOKHCMQDQ-HKUYNNGSSA-N 2 1 303.494 3.318 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]CC2(O)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000580063977 435202278 /nfs/dbraw/zinc/20/22/78/435202278.db2.gz DJOGNXJZULASDG-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226349 435204446 /nfs/dbraw/zinc/20/44/46/435204446.db2.gz WHQQABJKYJJKOB-HHXXYDBFSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226349 435204452 /nfs/dbraw/zinc/20/44/52/435204452.db2.gz WHQQABJKYJJKOB-HHXXYDBFSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532249270 435150984 /nfs/dbraw/zinc/15/09/84/435150984.db2.gz USWBSPXMCZDUAO-DTDBQYNISA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249270 435150989 /nfs/dbraw/zinc/15/09/89/435150989.db2.gz USWBSPXMCZDUAO-DTDBQYNISA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249270 435150990 /nfs/dbraw/zinc/15/09/90/435150990.db2.gz USWBSPXMCZDUAO-DTDBQYNISA-N 2 1 323.912 3.261 20 0 DGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000579494578 435160468 /nfs/dbraw/zinc/16/04/68/435160468.db2.gz SMSDROSFWJSHOA-AQNXPRMDSA-N 2 1 317.521 3.347 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000639117594 435162924 /nfs/dbraw/zinc/16/29/24/435162924.db2.gz IXCDRRCUMWTEFR-SFHVURJKSA-N 2 1 304.503 3.241 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000532640050 435182743 /nfs/dbraw/zinc/18/27/43/435182743.db2.gz KHONEPUYJXSNGP-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)c2ccccc21 ZINC000580301833 435221692 /nfs/dbraw/zinc/22/16/92/435221692.db2.gz QSFZYHLBLXGEQL-VQTJNVASSA-N 2 1 318.424 3.166 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000639251911 435211825 /nfs/dbraw/zinc/21/18/25/435211825.db2.gz LVUBPVIZAUKUFZ-MJGOQNOKSA-N 2 1 314.473 3.371 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000639251911 435211832 /nfs/dbraw/zinc/21/18/32/435211832.db2.gz LVUBPVIZAUKUFZ-MJGOQNOKSA-N 2 1 314.473 3.371 20 0 DGADMP OCC1(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639245927 435212325 /nfs/dbraw/zinc/21/23/25/435212325.db2.gz OGUWOBPKFHKFKR-HKUYNNGSSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639245927 435212329 /nfs/dbraw/zinc/21/23/29/435212329.db2.gz OGUWOBPKFHKFKR-HKUYNNGSSA-N 2 1 314.473 3.107 20 0 DGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561777314 435233961 /nfs/dbraw/zinc/23/39/61/435233961.db2.gz MWZGRJXWRRIJCZ-NLWGTHIKSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000561777314 435233963 /nfs/dbraw/zinc/23/39/63/435233963.db2.gz MWZGRJXWRRIJCZ-NLWGTHIKSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639308974 435238367 /nfs/dbraw/zinc/23/83/67/435238367.db2.gz ISVXYECHLNAYQI-CMKODMSKSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639308974 435238372 /nfs/dbraw/zinc/23/83/72/435238372.db2.gz ISVXYECHLNAYQI-CMKODMSKSA-N 2 1 316.489 3.351 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000562040921 435248789 /nfs/dbraw/zinc/24/87/89/435248789.db2.gz GDLWXFWDZNKMNH-KFWWJZLASA-N 2 1 322.415 3.341 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000562040921 435248795 /nfs/dbraw/zinc/24/87/95/435248795.db2.gz GDLWXFWDZNKMNH-KFWWJZLASA-N 2 1 322.415 3.341 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000562082138 435250427 /nfs/dbraw/zinc/25/04/27/435250427.db2.gz GDTJGVQMXLQCOW-MAUKXSAKSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000562082138 435250432 /nfs/dbraw/zinc/25/04/32/435250432.db2.gz GDTJGVQMXLQCOW-MAUKXSAKSA-N 2 1 304.478 3.263 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000562019431 435245189 /nfs/dbraw/zinc/24/51/89/435245189.db2.gz LVFGMBOWNHCBCN-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP COCC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000639360376 435266352 /nfs/dbraw/zinc/26/63/52/435266352.db2.gz WBQXEKHEWYTONG-IEBWSBKVSA-N 2 1 316.489 3.161 20 0 DGADMP Clc1ccccc1SCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000584053958 435269632 /nfs/dbraw/zinc/26/96/32/435269632.db2.gz XEARFRVPSDQFFW-KGLIPLIRSA-N 2 1 310.894 3.364 20 0 DGADMP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000648359790 435273595 /nfs/dbraw/zinc/27/35/95/435273595.db2.gz YCWFMHULSJXBMG-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP C[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000648359790 435273601 /nfs/dbraw/zinc/27/36/01/435273601.db2.gz YCWFMHULSJXBMG-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000648359790 435273605 /nfs/dbraw/zinc/27/36/05/435273605.db2.gz YCWFMHULSJXBMG-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000648359790 435273610 /nfs/dbraw/zinc/27/36/10/435273610.db2.gz YCWFMHULSJXBMG-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP Cc1cccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000584319571 435290285 /nfs/dbraw/zinc/29/02/85/435290285.db2.gz HKZHCFHCHIPKOC-VQTJNVASSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000584319571 435290289 /nfs/dbraw/zinc/29/02/89/435290289.db2.gz HKZHCFHCHIPKOC-VQTJNVASSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000584319571 435290293 /nfs/dbraw/zinc/29/02/93/435290293.db2.gz HKZHCFHCHIPKOC-VQTJNVASSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000584319571 435290298 /nfs/dbraw/zinc/29/02/98/435290298.db2.gz HKZHCFHCHIPKOC-VQTJNVASSA-N 2 1 316.489 3.367 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648438491 435298243 /nfs/dbraw/zinc/29/82/43/435298243.db2.gz RDDUPMLGADDOCT-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648438491 435298247 /nfs/dbraw/zinc/29/82/47/435298247.db2.gz RDDUPMLGADDOCT-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534972289 435306955 /nfs/dbraw/zinc/30/69/55/435306955.db2.gz MTJROEDFSOMFNQ-SFHVURJKSA-N 2 1 322.880 3.418 20 0 DGADMP CN(CC[N@@H+](C)CCCC1CCCCC1)C1CC[NH+](C)CC1 ZINC000583962241 435261489 /nfs/dbraw/zinc/26/14/89/435261489.db2.gz KFBSIQQEVUMPBR-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000511425945 435321106 /nfs/dbraw/zinc/32/11/06/435321106.db2.gz AYUYVBXJTLOMNR-QAPCUYQASA-N 2 1 302.462 3.177 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000511425945 435321114 /nfs/dbraw/zinc/32/11/14/435321114.db2.gz AYUYVBXJTLOMNR-QAPCUYQASA-N 2 1 302.462 3.177 20 0 DGADMP COc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509840 435324895 /nfs/dbraw/zinc/32/48/95/435324895.db2.gz ODUOOGNWSAVXDY-HOCLYGCPSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509840 435324899 /nfs/dbraw/zinc/32/48/99/435324899.db2.gz ODUOOGNWSAVXDY-HOCLYGCPSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509840 435324902 /nfs/dbraw/zinc/32/49/02/435324902.db2.gz ODUOOGNWSAVXDY-HOCLYGCPSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000639509840 435324905 /nfs/dbraw/zinc/32/49/05/435324905.db2.gz ODUOOGNWSAVXDY-HOCLYGCPSA-N 2 1 313.445 3.158 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CCOC)c2ccccc2)C1 ZINC000535279752 435326113 /nfs/dbraw/zinc/32/61/13/435326113.db2.gz DSNRAHUFPSLHRC-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000535279752 435326117 /nfs/dbraw/zinc/32/61/17/435326117.db2.gz DSNRAHUFPSLHRC-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000535279752 435326122 /nfs/dbraw/zinc/32/61/22/435326122.db2.gz DSNRAHUFPSLHRC-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000535316851 435326991 /nfs/dbraw/zinc/32/69/91/435326991.db2.gz ZXFBTHQXQGUTSY-OAHLLOKOSA-N 2 1 308.385 3.065 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643464313 435329366 /nfs/dbraw/zinc/32/93/66/435329366.db2.gz AVHMRMPCVDXMJU-YTQUADARSA-N 3 1 307.526 3.009 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643461179 435329396 /nfs/dbraw/zinc/32/93/96/435329396.db2.gz MRUIJIYQOZJFFI-IAOVAPTHSA-N 2 1 305.466 3.200 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000511737911 435330118 /nfs/dbraw/zinc/33/01/18/435330118.db2.gz NJRZRVPCPMUMCG-FUHWJXTLSA-N 2 1 304.478 3.281 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000643472522 435331770 /nfs/dbraw/zinc/33/17/70/435331770.db2.gz LZLYSQZGNAZCEY-BPQIPLTHSA-N 2 1 317.477 3.107 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000643471838 435332636 /nfs/dbraw/zinc/33/26/36/435332636.db2.gz GZEHPNNIWGBWNC-SJORKVTESA-N 2 1 303.450 3.153 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480199 435333742 /nfs/dbraw/zinc/33/37/42/435333742.db2.gz FAOUOQQPRHMFSJ-PRHYDEJPSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480199 435333746 /nfs/dbraw/zinc/33/37/46/435333746.db2.gz FAOUOQQPRHMFSJ-PRHYDEJPSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480199 435333750 /nfs/dbraw/zinc/33/37/50/435333750.db2.gz FAOUOQQPRHMFSJ-PRHYDEJPSA-N 2 1 315.505 3.003 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000479447551 435333889 /nfs/dbraw/zinc/33/38/89/435333889.db2.gz QECFMUJCMKLFKU-AZUAARDMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1OCC[C@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530642 435334387 /nfs/dbraw/zinc/33/43/87/435334387.db2.gz FZXRKMSJKWOVSR-WMZOPIPTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530642 435334388 /nfs/dbraw/zinc/33/43/88/435334388.db2.gz FZXRKMSJKWOVSR-WMZOPIPTSA-N 2 1 302.462 3.008 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000567628873 435337843 /nfs/dbraw/zinc/33/78/43/435337843.db2.gz GQPDWRSPTOVJSG-FZKQIMNGSA-N 2 1 306.425 3.217 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CC2)c(F)c1 ZINC000567628873 435337846 /nfs/dbraw/zinc/33/78/46/435337846.db2.gz GQPDWRSPTOVJSG-FZKQIMNGSA-N 2 1 306.425 3.217 20 0 DGADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507858 435340095 /nfs/dbraw/zinc/34/00/95/435340095.db2.gz SUIYESOBPBZIPR-LBPRGKRZSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560085 435342243 /nfs/dbraw/zinc/34/22/43/435342243.db2.gz KZWKUQMEQFUPCN-PXNSSMCTSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560085 435342249 /nfs/dbraw/zinc/34/22/49/435342249.db2.gz KZWKUQMEQFUPCN-PXNSSMCTSA-N 2 1 316.489 3.025 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648559459 435342715 /nfs/dbraw/zinc/34/27/15/435342715.db2.gz AIIFKMCEFJSLJG-CQSZACIVSA-N 2 1 307.825 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648559459 435342716 /nfs/dbraw/zinc/34/27/16/435342716.db2.gz AIIFKMCEFJSLJG-CQSZACIVSA-N 2 1 307.825 3.397 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000643527379 435345069 /nfs/dbraw/zinc/34/50/69/435345069.db2.gz LWQCEHJLXXDWIT-VYUIOLGVSA-N 2 1 315.280 3.169 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000643529084 435345349 /nfs/dbraw/zinc/34/53/49/435345349.db2.gz UOEFCMCAEPSCND-ZIAGYGMSSA-N 2 1 302.393 3.403 20 0 DGADMP CC(C)C1CCC(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)CC1 ZINC000479687058 435348755 /nfs/dbraw/zinc/34/87/55/435348755.db2.gz MZNYDJKEMCODJZ-UHFFFAOYSA-N 2 1 321.553 3.209 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643547377 435349224 /nfs/dbraw/zinc/34/92/24/435349224.db2.gz DQDKDXMDMQEQIV-RHSMWYFYSA-N 2 1 316.445 3.173 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548035 435349627 /nfs/dbraw/zinc/34/96/27/435349627.db2.gz MBGVFUIDMVTBDA-RDJZCZTQSA-N 2 1 300.446 3.473 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547913 435350056 /nfs/dbraw/zinc/35/00/56/435350056.db2.gz KUWISIGHVIUTMN-CVEARBPZSA-N 2 1 308.853 3.292 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648585405 435351701 /nfs/dbraw/zinc/35/17/01/435351701.db2.gz XUGCSOXGSZZCQL-GFCCVEGCSA-N 2 1 307.825 3.301 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648585405 435351706 /nfs/dbraw/zinc/35/17/06/435351706.db2.gz XUGCSOXGSZZCQL-GFCCVEGCSA-N 2 1 307.825 3.301 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1 ZINC000643548597 435352397 /nfs/dbraw/zinc/35/23/97/435352397.db2.gz ROMJMQIGQJYPKF-HZPDHXFCSA-N 2 1 308.853 3.292 20 0 DGADMP Cc1cnccc1CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567761579 435353627 /nfs/dbraw/zinc/35/36/27/435353627.db2.gz KJJCKDFPUDWPTC-HXUWFJFHSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cnccc1CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567761579 435353634 /nfs/dbraw/zinc/35/36/34/435353634.db2.gz KJJCKDFPUDWPTC-HXUWFJFHSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cnccc1CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567761579 435353640 /nfs/dbraw/zinc/35/36/40/435353640.db2.gz KJJCKDFPUDWPTC-HXUWFJFHSA-N 2 1 323.484 3.386 20 0 DGADMP C[C@H]1OCC[C@@H]1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000639579906 435354044 /nfs/dbraw/zinc/35/40/44/435354044.db2.gz ISFJDXOOICPHQR-DSJDWBEOSA-N 2 1 316.489 3.158 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000639579908 435354479 /nfs/dbraw/zinc/35/44/79/435354479.db2.gz ISFJDXOOICPHQR-YQXATGRUSA-N 2 1 316.489 3.158 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654944 435362075 /nfs/dbraw/zinc/36/20/75/435362075.db2.gz QAUQAMPIHHPIDN-HMXCVIKNSA-N 2 1 323.484 3.415 20 0 DGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000478917800 435313751 /nfs/dbraw/zinc/31/37/51/435313751.db2.gz QFKMAIUZRHMMOX-RTBURBONSA-N 2 1 309.542 3.209 20 0 DGADMP CCOC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000536652113 435400274 /nfs/dbraw/zinc/40/02/74/435400274.db2.gz KOMCEZAGYFQIDQ-UHFFFAOYSA-N 2 1 322.449 3.009 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000536696369 435403994 /nfs/dbraw/zinc/40/39/94/435403994.db2.gz VHBAJJBIIUIGPJ-GOSISDBHSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000536696369 435403998 /nfs/dbraw/zinc/40/39/98/435403998.db2.gz VHBAJJBIIUIGPJ-GOSISDBHSA-N 2 1 302.462 3.311 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790469 435419939 /nfs/dbraw/zinc/41/99/39/435419939.db2.gz BABIRVKLRXZEJR-KRWDZBQOSA-N 2 1 312.461 3.151 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790469 435419944 /nfs/dbraw/zinc/41/99/44/435419944.db2.gz BABIRVKLRXZEJR-KRWDZBQOSA-N 2 1 312.461 3.151 20 0 DGADMP CC1(C)CO[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000639615701 435366316 /nfs/dbraw/zinc/36/63/16/435366316.db2.gz QFOHRCZEMCSCTG-QGZVFWFLSA-N 2 1 317.477 3.214 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512664884 435366442 /nfs/dbraw/zinc/36/64/42/435366442.db2.gz BWPWKNQPGFZTPN-YSTOQKLRSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000536066679 435370443 /nfs/dbraw/zinc/37/04/43/435370443.db2.gz HOLGITVHVNPKOB-ZFWWWQNUSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@H](c2nccn2C)C1 ZINC000536066679 435370448 /nfs/dbraw/zinc/37/04/48/435370448.db2.gz HOLGITVHVNPKOB-ZFWWWQNUSA-N 2 1 323.400 3.021 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCO[C@@H]3C)C2)s1 ZINC000639632472 435375232 /nfs/dbraw/zinc/37/52/32/435375232.db2.gz BDAODZXRFIJIKH-ZACQAIPSSA-N 2 1 322.518 3.235 20 0 DGADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639641993 435376834 /nfs/dbraw/zinc/37/68/34/435376834.db2.gz OBKHWENQDIZXPU-YSIASYRMSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639641993 435376842 /nfs/dbraw/zinc/37/68/42/435376842.db2.gz OBKHWENQDIZXPU-YSIASYRMSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639641993 435376845 /nfs/dbraw/zinc/37/68/45/435376845.db2.gz OBKHWENQDIZXPU-YSIASYRMSA-N 2 1 314.473 3.009 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513207911 435382785 /nfs/dbraw/zinc/38/27/85/435382785.db2.gz IOAQKLMCOGXYSJ-ONCXSQPRSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513207911 435382787 /nfs/dbraw/zinc/38/27/87/435382787.db2.gz IOAQKLMCOGXYSJ-ONCXSQPRSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513501625 435391151 /nfs/dbraw/zinc/39/11/51/435391151.db2.gz UOFUQUKEGGTFNY-YLJYHZDGSA-N 2 1 309.457 3.472 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513501624 435391586 /nfs/dbraw/zinc/39/15/86/435391586.db2.gz UOFUQUKEGGTFNY-XLIONFOSSA-N 2 1 309.457 3.472 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480715515 435393888 /nfs/dbraw/zinc/39/38/88/435393888.db2.gz PCYPOKCWYVKGPR-IRXDYDNUSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccn2C)C[N@H+]1Cc1ccccc1 ZINC000513544085 435394336 /nfs/dbraw/zinc/39/43/36/435394336.db2.gz CVXBXELYMARMOH-IEBWSBKVSA-N 2 1 311.473 3.415 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000536662891 435398957 /nfs/dbraw/zinc/39/89/57/435398957.db2.gz GMFFBLGCMBJVLB-SJORKVTESA-N 2 1 315.505 3.447 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000514863612 435444459 /nfs/dbraw/zinc/44/44/59/435444459.db2.gz FFIBDIJWBQOOFB-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000514863612 435444466 /nfs/dbraw/zinc/44/44/66/435444466.db2.gz FFIBDIJWBQOOFB-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000514863612 435444472 /nfs/dbraw/zinc/44/44/72/435444472.db2.gz FFIBDIJWBQOOFB-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000514863612 435444480 /nfs/dbraw/zinc/44/44/80/435444480.db2.gz FFIBDIJWBQOOFB-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000514877315 435447246 /nfs/dbraw/zinc/44/72/46/435447246.db2.gz HSZUFMOPZXPKJU-ROUUACIJSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000514877315 435447251 /nfs/dbraw/zinc/44/72/51/435447251.db2.gz HSZUFMOPZXPKJU-ROUUACIJSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000514877315 435447255 /nfs/dbraw/zinc/44/72/55/435447255.db2.gz HSZUFMOPZXPKJU-ROUUACIJSA-N 2 1 306.494 3.142 20 0 DGADMP c1cc(CCC[NH2+]CC[NH+]2CCCCCC2)cc2c1OCC2 ZINC000482167775 435455646 /nfs/dbraw/zinc/45/56/46/435455646.db2.gz GFTIUDSZMLQPKZ-UHFFFAOYSA-N 2 1 302.462 3.020 20 0 DGADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)CC[C@H]1CCCC[NH+]1C ZINC000482174298 435456358 /nfs/dbraw/zinc/45/63/58/435456358.db2.gz YQOOQFLQIXCMSZ-LJQANCHMSA-N 2 1 316.489 3.360 20 0 DGADMP C[NH+](CCCc1ccc2c(c1)CCO2)CC[C@H]1CCCC[N@@H+]1C ZINC000482174298 435456363 /nfs/dbraw/zinc/45/63/63/435456363.db2.gz YQOOQFLQIXCMSZ-LJQANCHMSA-N 2 1 316.489 3.360 20 0 DGADMP C[NH+](CCCc1ccc2c(c1)CCO2)CC[C@H]1CCCC[N@H+]1C ZINC000482174298 435456368 /nfs/dbraw/zinc/45/63/68/435456368.db2.gz YQOOQFLQIXCMSZ-LJQANCHMSA-N 2 1 316.489 3.360 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649327 435459310 /nfs/dbraw/zinc/45/93/10/435459310.db2.gz KRWWIAXDEPWRMF-QAPCUYQASA-N 2 1 323.440 3.251 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649327 435459316 /nfs/dbraw/zinc/45/93/16/435459316.db2.gz KRWWIAXDEPWRMF-QAPCUYQASA-N 2 1 323.440 3.251 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000568699975 435461885 /nfs/dbraw/zinc/46/18/85/435461885.db2.gz QVZCBJZRLMZGHI-QGZVFWFLSA-N 2 1 309.542 3.494 20 0 DGADMP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1c[nH+]ccc1N ZINC000568740648 435466103 /nfs/dbraw/zinc/46/61/03/435466103.db2.gz PWNUXFIBCDOIRR-YVEFUNNKSA-N 2 1 318.852 3.101 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000514634775 435426108 /nfs/dbraw/zinc/42/61/08/435426108.db2.gz JQPPXAIFUGHSSK-SFHVURJKSA-N 2 1 318.505 3.264 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000514634775 435426113 /nfs/dbraw/zinc/42/61/13/435426113.db2.gz JQPPXAIFUGHSSK-SFHVURJKSA-N 2 1 318.505 3.264 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983938 435480166 /nfs/dbraw/zinc/48/01/66/435480166.db2.gz OTYDIRYRJNFTIO-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000539045590 435536383 /nfs/dbraw/zinc/53/63/83/435536383.db2.gz BPBNYHRARRAGEM-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538723892 435517135 /nfs/dbraw/zinc/51/71/35/435517135.db2.gz FTEWHXORAVGMQX-CEXWTWQISA-N 2 1 321.553 3.161 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483464356 435520376 /nfs/dbraw/zinc/52/03/76/435520376.db2.gz DOFYCFZNWGOJKL-QUCCMNQESA-N 2 1 316.489 3.488 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000568920629 435483726 /nfs/dbraw/zinc/48/37/26/435483726.db2.gz MZLFOCNZPYRAAB-HZMVEIRTSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000568920629 435483728 /nfs/dbraw/zinc/48/37/28/435483728.db2.gz MZLFOCNZPYRAAB-HZMVEIRTSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C23CCCCC3)C1 ZINC000538396817 435496543 /nfs/dbraw/zinc/49/65/43/435496543.db2.gz CQWBUJXXWXRJCO-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000483170392 435501801 /nfs/dbraw/zinc/50/18/01/435501801.db2.gz RLQXEGBWOBPPPY-NJAFHUGGSA-N 2 1 319.468 3.033 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000483170392 435501808 /nfs/dbraw/zinc/50/18/08/435501808.db2.gz RLQXEGBWOBPPPY-NJAFHUGGSA-N 2 1 319.468 3.033 20 0 DGADMP CCCCc1nc2cc(NC(=O)c3ccc(CN)o3)ccc2[nH]1 ZINC000649297613 435559314 /nfs/dbraw/zinc/55/93/14/435559314.db2.gz HMQPXBPWYBHXJD-UHFFFAOYSA-N 2 1 312.373 3.210 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645095082 435564822 /nfs/dbraw/zinc/56/48/22/435564822.db2.gz DYMKNSDFIBKQSY-LBPRGKRZSA-N 2 1 303.454 3.497 20 0 DGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000645102247 435567693 /nfs/dbraw/zinc/56/76/93/435567693.db2.gz JYYBCNGQMBERCK-YLJYHZDGSA-N 2 1 321.553 3.303 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000517168289 435580214 /nfs/dbraw/zinc/58/02/14/435580214.db2.gz YBHPYRVDBKQXGC-CQSZACIVSA-N 2 1 317.458 3.152 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000517168289 435580219 /nfs/dbraw/zinc/58/02/19/435580219.db2.gz YBHPYRVDBKQXGC-CQSZACIVSA-N 2 1 317.458 3.152 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@H]1[NH3+] ZINC000649417028 435583131 /nfs/dbraw/zinc/58/31/31/435583131.db2.gz UVNSTDQGURYPJQ-PKOBYXMFSA-N 2 1 312.461 3.048 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000539093956 435539674 /nfs/dbraw/zinc/53/96/74/435539674.db2.gz PWWQRAONGCRYSU-BZUAXINKSA-N 2 1 322.518 3.353 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000539092492 435539716 /nfs/dbraw/zinc/53/97/16/435539716.db2.gz BYLDSZIQNLDDLJ-RYUDHWBXSA-N 2 1 317.260 3.445 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000539092492 435539720 /nfs/dbraw/zinc/53/97/20/435539720.db2.gz BYLDSZIQNLDDLJ-RYUDHWBXSA-N 2 1 317.260 3.445 20 0 DGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000539093794 435540831 /nfs/dbraw/zinc/54/08/31/435540831.db2.gz PSYFUIKDISCDKF-RCCFBDPRSA-N 2 1 304.478 3.391 20 0 DGADMP CCc1ccc([C@H]2CN(CC[C@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357640 435544528 /nfs/dbraw/zinc/54/45/28/435544528.db2.gz QKVQNABEECRBTF-WOJBJXKFSA-N 2 1 316.489 3.497 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000540627757 435611036 /nfs/dbraw/zinc/61/10/36/435611036.db2.gz IAXHXGCPYIGCEW-HOJAQTOUSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@@H](OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000649539390 435618310 /nfs/dbraw/zinc/61/83/10/435618310.db2.gz TWOLGYVKHDLBAN-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000649539390 435618316 /nfs/dbraw/zinc/61/83/16/435618316.db2.gz TWOLGYVKHDLBAN-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000649539390 435618319 /nfs/dbraw/zinc/61/83/19/435618319.db2.gz TWOLGYVKHDLBAN-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000645397895 435635693 /nfs/dbraw/zinc/63/56/93/435635693.db2.gz HYZBGTLXXYLQJP-YSIASYRMSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccncc2Cl)C1 ZINC000540285842 435595807 /nfs/dbraw/zinc/59/58/07/435595807.db2.gz QMDRZKGACNYTBS-HIFRSBDPSA-N 2 1 301.821 3.404 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000540285842 435595819 /nfs/dbraw/zinc/59/58/19/435595819.db2.gz QMDRZKGACNYTBS-HIFRSBDPSA-N 2 1 301.821 3.404 20 0 DGADMP Cc1ccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640533405 435597324 /nfs/dbraw/zinc/59/73/24/435597324.db2.gz QOFPCXTZAYFAKG-UHFFFAOYSA-N 2 1 317.477 3.131 20 0 DGADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640533405 435597329 /nfs/dbraw/zinc/59/73/29/435597329.db2.gz QOFPCXTZAYFAKG-UHFFFAOYSA-N 2 1 317.477 3.131 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]12 ZINC000519400912 435680680 /nfs/dbraw/zinc/68/06/80/435680680.db2.gz WONOXCMTZSUWSY-FVQBIDKESA-N 2 1 305.491 3.360 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]12 ZINC000519400912 435680690 /nfs/dbraw/zinc/68/06/90/435680690.db2.gz WONOXCMTZSUWSY-FVQBIDKESA-N 2 1 305.491 3.360 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000571170343 435684060 /nfs/dbraw/zinc/68/40/60/435684060.db2.gz LYAMIZLEOXROOR-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481317 435695605 /nfs/dbraw/zinc/69/56/05/435695605.db2.gz NGLJDUZKYRBKPK-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CC3 ZINC000491034426 435699609 /nfs/dbraw/zinc/69/96/09/435699609.db2.gz SJAXWDYIUBYANO-RKVPGOIHSA-N 2 1 311.473 3.263 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CC3 ZINC000491034426 435699610 /nfs/dbraw/zinc/69/96/10/435699610.db2.gz SJAXWDYIUBYANO-RKVPGOIHSA-N 2 1 311.473 3.263 20 0 DGADMP CC(C)(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655705303 435738777 /nfs/dbraw/zinc/73/87/77/435738777.db2.gz COBJROPXNDFLBS-LJQANCHMSA-N 2 1 316.489 3.197 20 0 DGADMP CC(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655707477 435741024 /nfs/dbraw/zinc/74/10/24/435741024.db2.gz UVUDNKCPGMMBQT-IBGZPJMESA-N 2 1 302.462 3.153 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406825 435744608 /nfs/dbraw/zinc/74/46/08/435744608.db2.gz QUWVRYXNHHYXRV-UTKZUKDTSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406825 435744619 /nfs/dbraw/zinc/74/46/19/435744619.db2.gz QUWVRYXNHHYXRV-UTKZUKDTSA-N 3 1 323.484 3.288 20 0 DGADMP CC(C)CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000549237753 435751286 /nfs/dbraw/zinc/75/12/86/435751286.db2.gz YSDAAHNIYMSZAL-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000571634227 435723390 /nfs/dbraw/zinc/72/33/90/435723390.db2.gz KHEBNPYMJPJFSL-AZUAARDMSA-N 2 1 318.505 3.082 20 0 DGADMP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771581 435787943 /nfs/dbraw/zinc/78/79/43/435787943.db2.gz NBTFGSJAFMVPIA-HOCLYGCPSA-N 2 1 316.436 3.045 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2)C2CCC2)CC1(C)C ZINC000641779863 435821401 /nfs/dbraw/zinc/82/14/01/435821401.db2.gz RVOPSSWXLRCKOS-LJQANCHMSA-N 2 1 315.505 3.143 20 0 DGADMP CC1(C)CCC(C)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655777899 435794925 /nfs/dbraw/zinc/79/49/25/435794925.db2.gz ZIPCNGDFOMDBDR-QGZVFWFLSA-N 2 1 308.510 3.436 20 0 DGADMP CCn1cc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733175 435801240 /nfs/dbraw/zinc/80/12/40/435801240.db2.gz GRVBVFVJQVGYJY-CRAIPNDOSA-N 2 1 324.472 3.285 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3c2CCC3)C[C@H](C)O1 ZINC000651721250 435806507 /nfs/dbraw/zinc/80/65/07/435806507.db2.gz ZFLMWQBQASRMBF-CALCHBBNSA-N 2 1 316.489 3.154 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1csc2ccccc12 ZINC000641771907 435814912 /nfs/dbraw/zinc/81/49/12/435814912.db2.gz MKOJOUYOSOSNLB-HNNXBMFYSA-N 2 1 306.475 3.084 20 0 DGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000651758870 435818146 /nfs/dbraw/zinc/81/81/46/435818146.db2.gz QJPZNTXTDATROY-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474625 435767703 /nfs/dbraw/zinc/76/77/03/435767703.db2.gz KMSJSZMSYSRNKP-WVPUOPKMSA-N 2 1 314.473 3.277 20 0 DGADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000660479846 435771039 /nfs/dbraw/zinc/77/10/39/435771039.db2.gz QFNSCDUMCPNMDF-QGZVFWFLSA-N 2 1 324.415 3.311 20 0 DGADMP FC(F)c1cccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660479846 435771046 /nfs/dbraw/zinc/77/10/46/435771046.db2.gz QFNSCDUMCPNMDF-QGZVFWFLSA-N 2 1 324.415 3.311 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3cc(C)ncn3)C2)s1 ZINC000641646648 435775513 /nfs/dbraw/zinc/77/55/13/435775513.db2.gz LAAOTEKMLXZXJN-HNNXBMFYSA-N 2 1 316.474 3.113 20 0 DGADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)c(OC(F)F)cc1C ZINC000491594002 435778032 /nfs/dbraw/zinc/77/80/32/435778032.db2.gz LQCJIKSAHFNUIJ-NSHDSACASA-N 2 1 300.393 3.192 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1ccccc1Cl)CCO2 ZINC000646106399 435781055 /nfs/dbraw/zinc/78/10/55/435781055.db2.gz XARJDIHNLYVOFN-UHFFFAOYSA-N 2 1 322.880 3.069 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000655764836 435782773 /nfs/dbraw/zinc/78/27/73/435782773.db2.gz SOFWPQMOOJZWIY-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP FC1(F)CCCC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655769464 435786609 /nfs/dbraw/zinc/78/66/09/435786609.db2.gz ISMZHEHJDVDDHO-GDBMZVCRSA-N 2 1 316.436 3.045 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651678964 435786679 /nfs/dbraw/zinc/78/66/79/435786679.db2.gz KICWSXVVHIDEED-GJZGRUSLSA-N 2 1 301.434 3.285 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000551268451 435828231 /nfs/dbraw/zinc/82/82/31/435828231.db2.gz WQUUVOYNOYTJBT-OWCLPIDISA-N 2 1 305.466 3.109 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000551268451 435828233 /nfs/dbraw/zinc/82/82/33/435828233.db2.gz WQUUVOYNOYTJBT-OWCLPIDISA-N 2 1 305.466 3.109 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000641800829 435829229 /nfs/dbraw/zinc/82/92/29/435829229.db2.gz GPKXTCQIYMRNCH-IRXDYDNUSA-N 2 1 311.429 3.224 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000641800829 435829236 /nfs/dbraw/zinc/82/92/36/435829236.db2.gz GPKXTCQIYMRNCH-IRXDYDNUSA-N 2 1 311.429 3.224 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000572532642 435835977 /nfs/dbraw/zinc/83/59/77/435835977.db2.gz XNCUMWRDEWVEEX-YQVWRLOYSA-N 2 1 309.542 3.348 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000572532641 435836441 /nfs/dbraw/zinc/83/64/41/435836441.db2.gz XNCUMWRDEWVEEX-SCTDSRPQSA-N 2 1 309.542 3.348 20 0 DGADMP CC(C)Oc1cccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660656147 435841544 /nfs/dbraw/zinc/84/15/44/435841544.db2.gz RWPSDSDKGCYUOC-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660656147 435841548 /nfs/dbraw/zinc/84/15/48/435841548.db2.gz RWPSDSDKGCYUOC-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660656147 435841555 /nfs/dbraw/zinc/84/15/55/435841555.db2.gz RWPSDSDKGCYUOC-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660656147 435841559 /nfs/dbraw/zinc/84/15/59/435841559.db2.gz RWPSDSDKGCYUOC-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660656147 435841566 /nfs/dbraw/zinc/84/15/66/435841566.db2.gz RWPSDSDKGCYUOC-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1nc3ccccc3s1)C2 ZINC000660655449 435842458 /nfs/dbraw/zinc/84/24/58/435842458.db2.gz NGCHIYJODYYNNT-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCOc1ccccc1Cl)C2 ZINC000660654366 435843426 /nfs/dbraw/zinc/84/34/26/435843426.db2.gz HEGKQLFVEOTKHS-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(Br)c1)C2 ZINC000660654431 435843856 /nfs/dbraw/zinc/84/38/56/435843856.db2.gz ZXUAANMHDTWZTK-INIZCTEOSA-N 2 1 323.278 3.367 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664933582 435848904 /nfs/dbraw/zinc/84/89/04/435848904.db2.gz QCSZMEWSXGINLF-PMACEKPBSA-N 2 1 312.457 3.220 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664933582 435848908 /nfs/dbraw/zinc/84/89/08/435848908.db2.gz QCSZMEWSXGINLF-PMACEKPBSA-N 2 1 312.457 3.220 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1c(F)cccc1F)C2 ZINC000660665893 435852011 /nfs/dbraw/zinc/85/20/11/435852011.db2.gz YXEFVCKDDNCPOD-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1c(F)cccc1F)C2 ZINC000660665893 435852018 /nfs/dbraw/zinc/85/20/18/435852018.db2.gz YXEFVCKDDNCPOD-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1c(F)cccc1F)C2 ZINC000660665893 435852025 /nfs/dbraw/zinc/85/20/25/435852025.db2.gz YXEFVCKDDNCPOD-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCc1c(F)cccc1F)C2 ZINC000660665893 435852032 /nfs/dbraw/zinc/85/20/32/435852032.db2.gz YXEFVCKDDNCPOD-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCc1c(F)cccc1F)C2 ZINC000660665893 435852037 /nfs/dbraw/zinc/85/20/37/435852037.db2.gz YXEFVCKDDNCPOD-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000572658247 435853489 /nfs/dbraw/zinc/85/34/89/435853489.db2.gz GQJLCNABJGFUKZ-UHFFFAOYSA-N 2 1 310.526 3.372 20 0 DGADMP O[C@H](CC1CCCC1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678647 435856531 /nfs/dbraw/zinc/85/65/31/435856531.db2.gz XKLRRKAMKLLHHY-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651983816 435884937 /nfs/dbraw/zinc/88/49/37/435884937.db2.gz KZTPKHRBAZWRJU-MBOZVWFJSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)C[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000552228968 435890178 /nfs/dbraw/zinc/89/01/78/435890178.db2.gz IWBNZNLANVMDHM-IBGZPJMESA-N 2 1 317.521 3.171 20 0 DGADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000656193874 435909618 /nfs/dbraw/zinc/90/96/18/435909618.db2.gz WOFYRZPDQYLDNA-QGZVFWFLSA-N 2 1 312.461 3.183 20 0 DGADMP Cc1ccc(-c2ncc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1C ZINC000656255139 435926548 /nfs/dbraw/zinc/92/65/48/435926548.db2.gz LQOYKUGKFFRXRU-HZPDHXFCSA-N 2 1 313.470 3.078 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCCC1 ZINC000665247736 435928210 /nfs/dbraw/zinc/92/82/10/435928210.db2.gz IWUFHFANPILZGZ-KRWDZBQOSA-N 2 1 300.446 3.250 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cccc3Br)CCCC1 ZINC000665248392 435928614 /nfs/dbraw/zinc/92/86/14/435928614.db2.gz WJCNOGOWSCYSIO-AWEZNQCLSA-N 2 1 309.251 3.298 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000665255092 435930493 /nfs/dbraw/zinc/93/04/93/435930493.db2.gz IOMHHWYIWKBIBP-FZDIXFNVSA-N 2 1 302.462 3.309 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCSCC2)cc1 ZINC000665254873 435931356 /nfs/dbraw/zinc/93/13/56/435931356.db2.gz AUOWWAUAJOCIRI-ROUUACIJSA-N 2 1 320.502 3.016 20 0 DGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cn(C)nc1C)C1CCCCC1 ZINC000652237137 435931551 /nfs/dbraw/zinc/93/15/51/435931551.db2.gz ITMNBMMSSHZXQA-HNNXBMFYSA-N 2 1 306.498 3.424 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cn(C)nc1C)C1CCCCC1 ZINC000652237137 435931553 /nfs/dbraw/zinc/93/15/53/435931553.db2.gz ITMNBMMSSHZXQA-HNNXBMFYSA-N 2 1 306.498 3.424 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)[C@H]1C[C@H]1C ZINC000665259680 435932478 /nfs/dbraw/zinc/93/24/78/435932478.db2.gz MUPWFJJLGCDCED-CNGORYIKSA-N 2 1 320.452 3.304 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257865 435932762 /nfs/dbraw/zinc/93/27/62/435932762.db2.gz WTNYKZIJBHEUMP-WJFTUGDTSA-N 2 1 320.452 3.064 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)C1CC1 ZINC000665260172 435932823 /nfs/dbraw/zinc/93/28/23/435932823.db2.gz YICJQJBRPZQSPP-DJIMGWMZSA-N 2 1 306.425 3.058 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2ccccc12 ZINC000665264840 435934781 /nfs/dbraw/zinc/93/47/81/435934781.db2.gz JCFQDUKINSDWJJ-OXJNMPFZSA-N 2 1 321.468 3.269 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(C(F)F)c2)C1 ZINC000652363493 435958340 /nfs/dbraw/zinc/95/83/40/435958340.db2.gz FYVQTGFXQWOYPI-ZACQAIPSSA-N 2 1 324.415 3.485 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCSc2ccccc2)C1 ZINC000652362087 435958606 /nfs/dbraw/zinc/95/86/06/435958606.db2.gz WYFARRLWTVLNKK-NXHRZFHOSA-N 2 1 320.502 3.140 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnccn1 ZINC000656476684 435958634 /nfs/dbraw/zinc/95/86/34/435958634.db2.gz JAHKNACZOHYRQG-MRXNPFEDSA-N 2 1 310.445 3.141 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnccn1 ZINC000656476684 435958639 /nfs/dbraw/zinc/95/86/39/435958639.db2.gz JAHKNACZOHYRQG-MRXNPFEDSA-N 2 1 310.445 3.141 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnccn1 ZINC000656476684 435958643 /nfs/dbraw/zinc/95/86/43/435958643.db2.gz JAHKNACZOHYRQG-MRXNPFEDSA-N 2 1 310.445 3.141 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@@H]1CC[NH3+] ZINC000652356252 435959247 /nfs/dbraw/zinc/95/92/47/435959247.db2.gz YPDBHTNWIKUSLG-SMDDNHRTSA-N 2 1 301.356 3.050 20 0 DGADMP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647258653 435994367 /nfs/dbraw/zinc/99/43/67/435994367.db2.gz MNTNGNUQMDSSKO-KBXCAEBGSA-N 2 1 322.493 3.316 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647179877 435962072 /nfs/dbraw/zinc/96/20/72/435962072.db2.gz UNGURLNRPOXYFI-OAHLLOKOSA-N 2 1 323.444 3.112 20 0 DGADMP Clc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000656499663 435962522 /nfs/dbraw/zinc/96/25/22/435962522.db2.gz VRSAZKAAWAEEMH-SFHVURJKSA-N 2 1 322.880 3.116 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(F)(F)CC2)C[C@H](C)O1 ZINC000647184642 435964738 /nfs/dbraw/zinc/96/47/38/435964738.db2.gz VPRHIXSIHJUWHX-OKILXGFUSA-N 2 1 304.425 3.043 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705243 435994525 /nfs/dbraw/zinc/99/45/25/435994525.db2.gz AGXWTJOBOVAUOZ-BJLQDIEVSA-N 2 1 316.489 3.330 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc(F)c2F)[C@H](c2ccccc2)C1 ZINC000647248973 435991055 /nfs/dbraw/zinc/99/10/55/435991055.db2.gz UYEOEOKWFRVCGE-SJORKVTESA-N 2 1 316.395 3.400 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc(F)c2F)[C@H](c2ccccc2)C1 ZINC000647248973 435991061 /nfs/dbraw/zinc/99/10/61/435991061.db2.gz UYEOEOKWFRVCGE-SJORKVTESA-N 2 1 316.395 3.400 20 0 DGADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665299695 435944856 /nfs/dbraw/zinc/94/48/56/435944856.db2.gz RIMHONWGBRTGRQ-BPLDGKMQSA-N 2 1 313.367 3.111 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1)C(C)C ZINC000647150394 435950076 /nfs/dbraw/zinc/95/00/76/435950076.db2.gz DZALWGQIIPFIEV-INIZCTEOSA-N 2 1 314.433 3.391 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)[C@H]1CC[NH3+] ZINC000652354054 435955645 /nfs/dbraw/zinc/95/56/45/435955645.db2.gz MCTUWJUIPYHNHW-MJGOQNOKSA-N 2 1 304.478 3.085 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000652352426 435955714 /nfs/dbraw/zinc/95/57/14/435955714.db2.gz VUCZUBNASSOAAW-PXNSSMCTSA-N 2 1 323.440 3.435 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H]1CC[NH3+] ZINC000652353784 435956272 /nfs/dbraw/zinc/95/62/72/435956272.db2.gz CYPCVIQLNLERHY-SCLBCKFNSA-N 2 1 317.408 3.430 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348187 435956359 /nfs/dbraw/zinc/95/63/59/435956359.db2.gz WTCNNVNYULIOSQ-OKYOBFRVSA-N 2 1 302.462 3.356 20 0 DGADMP CCOCc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OC ZINC000650711102 435998876 /nfs/dbraw/zinc/99/88/76/435998876.db2.gz ISQGFHNATVUACY-QAPCUYQASA-N 2 1 320.477 3.181 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2c1 ZINC000650711785 435999266 /nfs/dbraw/zinc/99/92/66/435999266.db2.gz DJICVYGGCQBDSB-DYVFJYSZSA-N 2 1 302.418 3.391 20 0 DGADMP COc1ccc2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])sc2c1 ZINC000650712130 436000558 /nfs/dbraw/zinc/00/05/58/436000558.db2.gz RKBJLKAGXOOKOM-DOMZBBRYSA-N 2 1 319.474 3.254 20 0 DGADMP COc1ccc2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])sc2c1 ZINC000650712130 436000563 /nfs/dbraw/zinc/00/05/63/436000563.db2.gz RKBJLKAGXOOKOM-DOMZBBRYSA-N 2 1 319.474 3.254 20 0 DGADMP CCCn1c(C[NH2+]Cc2ccccc2C[NH2+]C)nc2ccccc21 ZINC000650718820 436004198 /nfs/dbraw/zinc/00/41/98/436004198.db2.gz XEIBQHYFEPXJQB-UHFFFAOYSA-N 2 1 322.456 3.456 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)[C@H](C)C1 ZINC000650720904 436005754 /nfs/dbraw/zinc/00/57/54/436005754.db2.gz GHXLBFWYXAVNLU-NXHRZFHOSA-N 2 1 301.478 3.123 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000650722508 436006504 /nfs/dbraw/zinc/00/65/04/436006504.db2.gz VVTMELPZZGVCSD-BRWVUGGUSA-N 2 1 308.853 3.201 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721759 436006818 /nfs/dbraw/zinc/00/68/18/436006818.db2.gz AKKQRXOESIFYKM-IPMKNSEASA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000650725173 436009470 /nfs/dbraw/zinc/00/94/70/436009470.db2.gz UXNUFUCQPGGIJK-HSALFYBXSA-N 2 1 314.473 3.425 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cn1 ZINC000650754054 436020390 /nfs/dbraw/zinc/02/03/90/436020390.db2.gz ACIJWAWVVPTBDM-QGZVFWFLSA-N 2 1 305.372 3.305 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000647344005 436024733 /nfs/dbraw/zinc/02/47/33/436024733.db2.gz HNBNLRXFESYWKO-QMIHWGKISA-N 2 1 324.472 3.089 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000647344005 436024737 /nfs/dbraw/zinc/02/47/37/436024737.db2.gz HNBNLRXFESYWKO-QMIHWGKISA-N 2 1 324.472 3.089 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1C ZINC000656784060 436041930 /nfs/dbraw/zinc/04/19/30/436041930.db2.gz YIMMGTCKVCYSSQ-GOSISDBHSA-N 2 1 302.462 3.215 20 0 DGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783952 436042630 /nfs/dbraw/zinc/04/26/30/436042630.db2.gz WTTOEDJMQIPOSD-GOSISDBHSA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782824 436042698 /nfs/dbraw/zinc/04/26/98/436042698.db2.gz KFPNIJAYKOBGII-ROUUACIJSA-N 2 1 314.473 3.264 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n(-c2ccccc2)n1 ZINC000656782413 436042969 /nfs/dbraw/zinc/04/29/69/436042969.db2.gz GJEHPWHZBJKHQG-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784349 436043021 /nfs/dbraw/zinc/04/30/21/436043021.db2.gz CPMKOLMGKGIIHZ-SFHVURJKSA-N 2 1 309.457 3.446 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783853 436043320 /nfs/dbraw/zinc/04/33/20/436043320.db2.gz AVXZNTBOZGRJGZ-SFHVURJKSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783853 436043325 /nfs/dbraw/zinc/04/33/25/436043325.db2.gz AVXZNTBOZGRJGZ-SFHVURJKSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783853 436043331 /nfs/dbraw/zinc/04/33/31/436043331.db2.gz AVXZNTBOZGRJGZ-SFHVURJKSA-N 2 1 324.472 3.288 20 0 DGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786679 436044182 /nfs/dbraw/zinc/04/41/82/436044182.db2.gz WKGRVZJDMFSJGZ-GOSISDBHSA-N 2 1 309.457 3.446 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786990 436044399 /nfs/dbraw/zinc/04/43/99/436044399.db2.gz ZAXLOQNSPMRVDL-SFHVURJKSA-N 2 1 324.472 3.288 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707731 435996012 /nfs/dbraw/zinc/99/60/12/435996012.db2.gz LZQJWQXUAYTKBH-LNLFQRSKSA-N 2 1 302.462 3.022 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705454 435996068 /nfs/dbraw/zinc/99/60/68/435996068.db2.gz HMQPLBIXQIITFV-IHPCNDPISA-N 2 1 316.489 3.330 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480346 436058790 /nfs/dbraw/zinc/05/87/90/436058790.db2.gz KIEMXDKIVYHFTJ-SJLPKXTDSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480346 436058795 /nfs/dbraw/zinc/05/87/95/436058795.db2.gz KIEMXDKIVYHFTJ-SJLPKXTDSA-N 2 1 318.509 3.219 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480475 436059277 /nfs/dbraw/zinc/05/92/77/436059277.db2.gz OOJLKXOQLFEKSO-JKSUJKDBSA-N 2 1 320.502 3.381 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480475 436059282 /nfs/dbraw/zinc/05/92/82/436059282.db2.gz OOJLKXOQLFEKSO-JKSUJKDBSA-N 2 1 320.502 3.381 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480116 436059591 /nfs/dbraw/zinc/05/95/91/436059591.db2.gz BLVLBIBBIREKKU-IEBWSBKVSA-N 2 1 324.472 3.349 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480954 436059901 /nfs/dbraw/zinc/05/99/01/436059901.db2.gz HHJHNGDZWVFWFI-AEFFLSMTSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480954 436059905 /nfs/dbraw/zinc/05/99/05/436059905.db2.gz HHJHNGDZWVFWFI-AEFFLSMTSA-N 2 1 302.462 3.438 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479447 436060293 /nfs/dbraw/zinc/06/02/93/436060293.db2.gz HCVSJUINRRGCTH-QUCCMNQESA-N 2 1 314.473 3.439 20 0 DGADMP c1cncc(-c2cccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2)c1 ZINC000647482424 436064408 /nfs/dbraw/zinc/06/44/08/436064408.db2.gz DUIZRVJADOXVPA-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000647498385 436066481 /nfs/dbraw/zinc/06/64/81/436066481.db2.gz GJYSXKCEPRHTTP-MLGOLLRUSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000647498385 436066484 /nfs/dbraw/zinc/06/64/84/436066484.db2.gz GJYSXKCEPRHTTP-MLGOLLRUSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647498896 436066930 /nfs/dbraw/zinc/06/69/30/436066930.db2.gz SUCXAYTYYIMZTD-DZGCQCFKSA-N 2 1 316.367 3.187 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647509236 436069033 /nfs/dbraw/zinc/06/90/33/436069033.db2.gz WXFHOCBEQJXALT-ZIAGYGMSSA-N 2 1 324.428 3.002 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000647544146 436077843 /nfs/dbraw/zinc/07/78/43/436077843.db2.gz XIUWDSDYZLCXKQ-OALUTQOASA-N 2 1 324.472 3.084 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543391 436078393 /nfs/dbraw/zinc/07/83/93/436078393.db2.gz MGZBKCOWLAOMSB-ROUUACIJSA-N 2 1 324.472 3.288 20 0 DGADMP c1sc(C2CC2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544214 436080315 /nfs/dbraw/zinc/08/03/15/436080315.db2.gz YGHVWYWOGQLNJI-CABCVRRESA-N 2 1 305.491 3.232 20 0 DGADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000647549724 436080588 /nfs/dbraw/zinc/08/05/88/436080588.db2.gz OGYRFYLWQLCLHK-CHWSQXEVSA-N 2 1 323.278 3.068 20 0 DGADMP Fc1cc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1Cl ZINC000647815508 436127556 /nfs/dbraw/zinc/12/75/56/436127556.db2.gz UAHPFRKPYUFKRW-UHFFFAOYSA-N 2 1 312.816 3.074 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815140 436128081 /nfs/dbraw/zinc/12/80/81/436128081.db2.gz QTVIAAFWOUDAND-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1c[nH]c(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000657311282 436130126 /nfs/dbraw/zinc/13/01/26/436130126.db2.gz IVTJRZVNYYMKPA-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CO1 ZINC000657313280 436132846 /nfs/dbraw/zinc/13/28/46/436132846.db2.gz IKKDXJWJCAYFHD-RTBURBONSA-N 2 1 302.462 3.117 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1F ZINC000661659454 436140089 /nfs/dbraw/zinc/14/00/89/436140089.db2.gz ZBQCMECHWKBFQB-DOTOQJQBSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1F ZINC000661659454 436140094 /nfs/dbraw/zinc/14/00/94/436140094.db2.gz ZBQCMECHWKBFQB-DOTOQJQBSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000661659454 436140097 /nfs/dbraw/zinc/14/00/97/436140097.db2.gz ZBQCMECHWKBFQB-DOTOQJQBSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1F ZINC000661659454 436140100 /nfs/dbraw/zinc/14/01/00/436140100.db2.gz ZBQCMECHWKBFQB-DOTOQJQBSA-N 2 1 306.425 3.456 20 0 DGADMP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647884168 436140147 /nfs/dbraw/zinc/14/01/47/436140147.db2.gz WZKKMAXOCVNIJV-LPHOPBHVSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000647886723 436142226 /nfs/dbraw/zinc/14/22/26/436142226.db2.gz OMAPMJLYCSFYGP-DNVCBOLYSA-N 2 1 320.452 3.367 20 0 DGADMP c1ccc(CC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]2CCOC2)cc1 ZINC000647891551 436142266 /nfs/dbraw/zinc/14/22/66/436142266.db2.gz POAVJESHJSAJDY-HXUWFJFHSA-N 2 1 316.489 3.100 20 0 DGADMP Brc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890737 436142737 /nfs/dbraw/zinc/14/27/37/436142737.db2.gz LZYAQKKRMOCUCL-SWLSCSKDSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890737 436142742 /nfs/dbraw/zinc/14/27/42/436142742.db2.gz LZYAQKKRMOCUCL-SWLSCSKDSA-N 2 1 309.251 3.196 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657334784 436143042 /nfs/dbraw/zinc/14/30/42/436143042.db2.gz HGUIWSVDIFKPNP-IPMKNSEASA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902885 436143979 /nfs/dbraw/zinc/14/39/79/436143979.db2.gz DDULHOUOFILZCV-ROUUACIJSA-N 2 1 302.462 3.146 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901304 436144621 /nfs/dbraw/zinc/14/46/21/436144621.db2.gz LUHVCXYMKDMQJF-UXHICEINSA-N 2 1 316.489 3.100 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903572 436144730 /nfs/dbraw/zinc/14/47/30/436144730.db2.gz MJWYEVWGLGRZQB-QZTJIDSGSA-N 2 1 302.462 3.092 20 0 DGADMP FC(F)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647797113 436123409 /nfs/dbraw/zinc/12/34/09/436123409.db2.gz ZFZGBDRUAGASNS-LALPHHSUSA-N 2 1 314.807 3.410 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1c[nH+]ccc1N ZINC000647800419 436124068 /nfs/dbraw/zinc/12/40/68/436124068.db2.gz AXHHEXHPVZCZFH-STQMWFEESA-N 2 1 315.442 3.088 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647954458 436159004 /nfs/dbraw/zinc/15/90/04/436159004.db2.gz MFXASOMKHMFOGL-HNNXBMFYSA-N 2 1 300.368 3.309 20 0 DGADMP c1ccc(COCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978733 436167180 /nfs/dbraw/zinc/16/71/80/436167180.db2.gz XJJHLCRYYTWIDT-WOJBJXKFSA-N 2 1 316.489 3.305 20 0 DGADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H]2CC[NH2+]C2)C3)cs1 ZINC000647990898 436169179 /nfs/dbraw/zinc/16/91/79/436169179.db2.gz TXLGTBAYKREUPV-LBPRGKRZSA-N 2 1 319.499 3.148 20 0 DGADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@H]2CC[NH2+]C2)C3)cs1 ZINC000647990898 436169186 /nfs/dbraw/zinc/16/91/86/436169186.db2.gz TXLGTBAYKREUPV-LBPRGKRZSA-N 2 1 319.499 3.148 20 0 DGADMP C[C@@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000647989545 436169972 /nfs/dbraw/zinc/16/99/72/436169972.db2.gz BRINDIPCWIVIJZ-RYUDHWBXSA-N 2 1 317.260 3.302 20 0 DGADMP c1ccc(N[C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000647989122 436170343 /nfs/dbraw/zinc/17/03/43/436170343.db2.gz MYXDGDINNSVMKF-IBGZPJMESA-N 2 1 301.478 3.343 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977923 436167649 /nfs/dbraw/zinc/16/76/49/436167649.db2.gz JVIBWLKLZHHBRX-RTBURBONSA-N 2 1 316.489 3.339 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657528969 436237296 /nfs/dbraw/zinc/23/72/96/436237296.db2.gz OGKNSSNKVRGBGA-OXHPOLQJSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657528969 436237299 /nfs/dbraw/zinc/23/72/99/436237299.db2.gz OGKNSSNKVRGBGA-OXHPOLQJSA-N 2 1 316.489 3.444 20 0 DGADMP Clc1ccc2c(c1)OCCC[C@@H]2NCc1cnc2n1CCC2 ZINC000657428516 436195743 /nfs/dbraw/zinc/19/57/43/436195743.db2.gz JXUXQCBADWOBRU-HNNXBMFYSA-N 2 1 317.820 3.486 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563579 436208139 /nfs/dbraw/zinc/20/81/39/436208139.db2.gz UDKTVJOUHIBRQU-ZQIUZPCESA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563579 436208143 /nfs/dbraw/zinc/20/81/43/436208143.db2.gz UDKTVJOUHIBRQU-ZQIUZPCESA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563579 436208147 /nfs/dbraw/zinc/20/81/47/436208147.db2.gz UDKTVJOUHIBRQU-ZQIUZPCESA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563579 436208151 /nfs/dbraw/zinc/20/81/51/436208151.db2.gz UDKTVJOUHIBRQU-ZQIUZPCESA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000653563579 436208154 /nfs/dbraw/zinc/20/81/54/436208154.db2.gz UDKTVJOUHIBRQU-ZQIUZPCESA-N 2 1 312.885 3.076 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)C[NH+](C)C ZINC000657472518 436215890 /nfs/dbraw/zinc/21/58/90/436215890.db2.gz UEGSVGOPUNWDSV-AWEZNQCLSA-N 2 1 317.408 3.300 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000653590559 436217892 /nfs/dbraw/zinc/21/78/92/436217892.db2.gz KNZHHXLGXVFQMH-LBPRGKRZSA-N 2 1 305.809 3.072 20 0 DGADMP Fc1cc(F)c2c(c1)[C@H](NCc1cnc3n1CCC3)CCC2 ZINC000657476198 436219506 /nfs/dbraw/zinc/21/95/06/436219506.db2.gz CIKAFYYSZFBSQY-MRXNPFEDSA-N 2 1 303.356 3.275 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]1(C)CO ZINC000662143012 436286899 /nfs/dbraw/zinc/28/68/99/436286899.db2.gz MQURJOSYAJQKCD-PXNSSMCTSA-N 2 1 316.489 3.123 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000666559266 436244521 /nfs/dbraw/zinc/24/45/21/436244521.db2.gz GENSMGRUKZOSII-OAHLLOKOSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000666559266 436244523 /nfs/dbraw/zinc/24/45/23/436244523.db2.gz GENSMGRUKZOSII-OAHLLOKOSA-N 2 1 315.461 3.094 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000662018464 436248894 /nfs/dbraw/zinc/24/88/94/436248894.db2.gz BTABVHBXHAJEPD-PKOBYXMFSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000662018464 436248895 /nfs/dbraw/zinc/24/88/95/436248895.db2.gz BTABVHBXHAJEPD-PKOBYXMFSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000662018464 436248898 /nfs/dbraw/zinc/24/88/98/436248898.db2.gz BTABVHBXHAJEPD-PKOBYXMFSA-N 2 1 301.478 3.072 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000657594003 436257168 /nfs/dbraw/zinc/25/71/68/436257168.db2.gz GFJOXYOLTJMYNZ-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657597203 436257347 /nfs/dbraw/zinc/25/73/47/436257347.db2.gz QXYOOWUPQMZNKF-AHRSYUTCSA-N 2 1 316.489 3.169 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657619893 436262892 /nfs/dbraw/zinc/26/28/92/436262892.db2.gz WDRHDINMDPWCIZ-DJIMGWMZSA-N 2 1 324.415 3.053 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000657619893 436262895 /nfs/dbraw/zinc/26/28/95/436262895.db2.gz WDRHDINMDPWCIZ-DJIMGWMZSA-N 2 1 324.415 3.053 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657629179 436263486 /nfs/dbraw/zinc/26/34/86/436263486.db2.gz LYTWTASXEHIVDI-WDSOQIARSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657629179 436263488 /nfs/dbraw/zinc/26/34/88/436263488.db2.gz LYTWTASXEHIVDI-WDSOQIARSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657629178 436263639 /nfs/dbraw/zinc/26/36/39/436263639.db2.gz LYTWTASXEHIVDI-UHOSZYNNSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657629178 436263642 /nfs/dbraw/zinc/26/36/42/436263642.db2.gz LYTWTASXEHIVDI-UHOSZYNNSA-N 2 1 304.478 3.036 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806172 436268161 /nfs/dbraw/zinc/26/81/61/436268161.db2.gz KWRXZEVCWZMKBO-GOSISDBHSA-N 2 1 324.472 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657772273 436300299 /nfs/dbraw/zinc/30/02/99/436300299.db2.gz LGTFDKFIDKTORJ-QRQLOZEOSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774426 436300531 /nfs/dbraw/zinc/30/05/31/436300531.db2.gz YQHPUNIPSIAVGQ-YTQUADARSA-N 2 1 314.473 3.056 20 0 DGADMP CCCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1ccccc1 ZINC000662258118 436313747 /nfs/dbraw/zinc/31/37/47/436313747.db2.gz WXWFPZHTIROJQE-WMZOPIPTSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255858 436314077 /nfs/dbraw/zinc/31/40/77/436314077.db2.gz FOERTWKOKIQHIH-GRDNDAEWSA-N 2 1 322.880 3.285 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000662257977 436314302 /nfs/dbraw/zinc/31/43/02/436314302.db2.gz UDJZTWXDHIGYCG-IERDGZPVSA-N 2 1 322.452 3.294 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000662257977 436314306 /nfs/dbraw/zinc/31/43/06/436314306.db2.gz UDJZTWXDHIGYCG-IERDGZPVSA-N 2 1 322.452 3.294 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254650 436314977 /nfs/dbraw/zinc/31/49/77/436314977.db2.gz RQHNOFBWZRKKGO-OTWHNJEPSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256244 436315063 /nfs/dbraw/zinc/31/50/63/436315063.db2.gz JPNRTUTZUGQCLK-QFBILLFUSA-N 2 1 314.473 3.371 20 0 DGADMP COc1ccc(CCC[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662252817 436315287 /nfs/dbraw/zinc/31/52/87/436315287.db2.gz PXXZJNIJMJBUHA-UHFFFAOYSA-N 2 1 324.468 3.406 20 0 DGADMP CC[N@H+](Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662267358 436317767 /nfs/dbraw/zinc/31/77/67/436317767.db2.gz UVRKJAJCPOOICY-AWEZNQCLSA-N 2 1 316.367 3.391 20 0 DGADMP CC[N@@H+](Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662267358 436317771 /nfs/dbraw/zinc/31/77/71/436317771.db2.gz UVRKJAJCPOOICY-AWEZNQCLSA-N 2 1 316.367 3.391 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCSCC1)C2 ZINC000657829328 436320510 /nfs/dbraw/zinc/32/05/10/436320510.db2.gz YLPWWCXVIOWPFL-GOSISDBHSA-N 2 1 304.503 3.310 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCSCC1)C2 ZINC000657829328 436320511 /nfs/dbraw/zinc/32/05/11/436320511.db2.gz YLPWWCXVIOWPFL-GOSISDBHSA-N 2 1 304.503 3.310 20 0 DGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3CC[NH3+])on2)cc1 ZINC000662273505 436321103 /nfs/dbraw/zinc/32/11/03/436321103.db2.gz NXBCFHZGMADQRE-HNNXBMFYSA-N 2 1 315.417 3.054 20 0 DGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])on2)cc1 ZINC000662273505 436321108 /nfs/dbraw/zinc/32/11/08/436321108.db2.gz NXBCFHZGMADQRE-HNNXBMFYSA-N 2 1 315.417 3.054 20 0 DGADMP c1cn2c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c(C3CC3)nc2s1 ZINC000666996882 436322289 /nfs/dbraw/zinc/32/22/89/436322289.db2.gz KBUUXAYYXCHVJC-ZDUSSCGKSA-N 2 1 316.474 3.038 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)c1OC ZINC000666999402 436322548 /nfs/dbraw/zinc/32/25/48/436322548.db2.gz CWADYYCYZXAVSP-ZDUSSCGKSA-N 2 1 324.852 3.122 20 0 DGADMP CCCCc1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291624 436323754 /nfs/dbraw/zinc/32/37/54/436323754.db2.gz VVWXAUMUCRBAHB-HOCLYGCPSA-N 2 1 320.481 3.185 20 0 DGADMP CC(C)(C)c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000662292376 436324023 /nfs/dbraw/zinc/32/40/23/436324023.db2.gz FBRJTBFBOAINMS-OAHLLOKOSA-N 2 1 305.466 3.184 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662283303 436324840 /nfs/dbraw/zinc/32/48/40/436324840.db2.gz HGPYHCAFJIUJGL-BARDWOONSA-N 2 1 304.425 3.029 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccc(C)cc3C2)cc1 ZINC000662298258 436325851 /nfs/dbraw/zinc/32/58/51/436325851.db2.gz ATUGZROGDFMTDS-LJQANCHMSA-N 2 1 310.441 3.104 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662310053 436326957 /nfs/dbraw/zinc/32/69/57/436326957.db2.gz GRJRROFRLMSGPJ-CRAIPNDOSA-N 2 1 320.452 3.367 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000662310211 436327370 /nfs/dbraw/zinc/32/73/70/436327370.db2.gz HYEIHKJMCIXAJJ-IBGZPJMESA-N 2 1 302.462 3.048 20 0 DGADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657858554 436328194 /nfs/dbraw/zinc/32/81/94/436328194.db2.gz HYSOSNABGZLUSR-RTBURBONSA-N 2 1 324.472 3.220 20 0 DGADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657858554 436328199 /nfs/dbraw/zinc/32/81/99/436328199.db2.gz HYSOSNABGZLUSR-RTBURBONSA-N 2 1 324.472 3.220 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662318563 436329172 /nfs/dbraw/zinc/32/91/72/436329172.db2.gz BTVPPHOKUPFRHH-GFCCVEGCSA-N 2 1 309.251 3.073 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662318563 436329173 /nfs/dbraw/zinc/32/91/73/436329173.db2.gz BTVPPHOKUPFRHH-GFCCVEGCSA-N 2 1 309.251 3.073 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662317469 436329204 /nfs/dbraw/zinc/32/92/04/436329204.db2.gz PUCQHDMAQXSWNN-OAQYLSRUSA-N 2 1 321.468 3.043 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657869187 436329913 /nfs/dbraw/zinc/32/99/13/436329913.db2.gz ZJFAIQDKEOILQO-RTBURBONSA-N 2 1 318.530 3.426 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000657868526 436330195 /nfs/dbraw/zinc/33/01/95/436330195.db2.gz VCDXVDASPCQECK-PKOBYXMFSA-N 2 1 316.489 3.098 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326281 436331537 /nfs/dbraw/zinc/33/15/37/436331537.db2.gz YMKIWOLOOORADV-KDOFPFPSSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326281 436331539 /nfs/dbraw/zinc/33/15/39/436331539.db2.gz YMKIWOLOOORADV-KDOFPFPSSA-N 2 1 322.880 3.370 20 0 DGADMP Cc1ccnc(C)c1NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667061145 436333221 /nfs/dbraw/zinc/33/32/21/436333221.db2.gz IKGMBQWXGJNSEB-QGZVFWFLSA-N 2 1 324.428 3.094 20 0 DGADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000658126002 436381739 /nfs/dbraw/zinc/38/17/39/436381739.db2.gz OCXXQBLJMCEHDZ-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000658126002 436381742 /nfs/dbraw/zinc/38/17/42/436381742.db2.gz OCXXQBLJMCEHDZ-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)[C@@H](C)C1 ZINC000658123776 436382228 /nfs/dbraw/zinc/38/22/28/436382228.db2.gz NRXBXPXEVNZRFI-AEGPPILISA-N 2 1 322.415 3.196 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)[C@@H](C)C1 ZINC000658123776 436382232 /nfs/dbraw/zinc/38/22/32/436382232.db2.gz NRXBXPXEVNZRFI-AEGPPILISA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658141151 436385905 /nfs/dbraw/zinc/38/59/05/436385905.db2.gz RJBKTMZJXQOQFE-KDOFPFPSSA-N 2 1 316.470 3.166 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658143219 436386104 /nfs/dbraw/zinc/38/61/04/436386104.db2.gz GHBBBCOCHBFYTO-LEWJYISDSA-N 2 1 324.468 3.494 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658146037 436386235 /nfs/dbraw/zinc/38/62/35/436386235.db2.gz UBLUBUPNMSKZBS-DYESRHJHSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658141153 436386295 /nfs/dbraw/zinc/38/62/95/436386295.db2.gz RJBKTMZJXQOQFE-KSSFIOAISA-N 2 1 316.470 3.166 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@@H]1C ZINC000658139583 436386399 /nfs/dbraw/zinc/38/63/99/436386399.db2.gz QFUOCKCFHYXNKZ-SMOSDQRPSA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658145279 436386417 /nfs/dbraw/zinc/38/64/17/436386417.db2.gz RFHFDAKSRHAPGB-LPHOPBHVSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccs1 ZINC000658146022 436386515 /nfs/dbraw/zinc/38/65/15/436386515.db2.gz TUJSPZNRCIHLQD-YOEHRIQHSA-N 2 1 316.470 3.166 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000658141170 436387114 /nfs/dbraw/zinc/38/71/14/436387114.db2.gz WSQSEMOJRFLVBF-QRVBRYPASA-N 2 1 316.489 3.168 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658230363 436406697 /nfs/dbraw/zinc/40/66/97/436406697.db2.gz YQORJFWVNJOCFA-RDJZCZTQSA-N 2 1 317.477 3.018 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658230363 436406699 /nfs/dbraw/zinc/40/66/99/436406699.db2.gz YQORJFWVNJOCFA-RDJZCZTQSA-N 2 1 317.477 3.018 20 0 DGADMP CC[C@H](COC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319458 436429574 /nfs/dbraw/zinc/42/95/74/436429574.db2.gz BDOQLQUFVJXWFB-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCOC1(C)C ZINC000658330004 436431573 /nfs/dbraw/zinc/43/15/73/436431573.db2.gz GZJONUXCQGSQNU-NZSAHSFTSA-N 2 1 316.489 3.302 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663314456 436437375 /nfs/dbraw/zinc/43/73/75/436437375.db2.gz GOYZQNIWJCFZCG-UHFFFAOYSA-N 2 1 317.521 3.317 20 0 DGADMP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658361501 436439854 /nfs/dbraw/zinc/43/98/54/436439854.db2.gz NMMVASHTKJHMKS-LAUBAEHRSA-N 2 1 324.468 3.363 20 0 DGADMP COc1ccccc1/C=C/C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347582 436443692 /nfs/dbraw/zinc/44/36/92/436443692.db2.gz PFURKQAQBMEIHX-SBLNNXNXSA-N 2 1 314.473 3.420 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347308 436443713 /nfs/dbraw/zinc/44/37/13/436443713.db2.gz JVJIPTGBDPVIEQ-QGZVFWFLSA-N 2 1 324.472 3.288 20 0 DGADMP COc1cc2c(N[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2cc1F ZINC000663424577 436457574 /nfs/dbraw/zinc/45/75/74/436457574.db2.gz GKMLFIYFSZFQBU-LLVKDONJSA-N 2 1 301.365 3.031 20 0 DGADMP COCC1([N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000663452737 436461250 /nfs/dbraw/zinc/46/12/50/436461250.db2.gz IHGHYMSMDNOKDR-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP Fc1cncc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466704 436465998 /nfs/dbraw/zinc/46/59/98/436465998.db2.gz XFXKDVFVFQHCAD-HNAYVOBHSA-N 2 1 317.452 3.383 20 0 DGADMP Fc1cncc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466704 436465999 /nfs/dbraw/zinc/46/59/99/436465999.db2.gz XFXKDVFVFQHCAD-HNAYVOBHSA-N 2 1 317.452 3.383 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)[C@H](C)C1 ZINC000658279950 436415530 /nfs/dbraw/zinc/41/55/30/436415530.db2.gz DZLXAJUHZBERMB-ILXRZTDVSA-N 2 1 318.452 3.004 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nsc3ccccc32)[C@@H](C)C1 ZINC000658318628 436428094 /nfs/dbraw/zinc/42/80/94/436428094.db2.gz RAKJBIQCVXDZGO-DZGCQCFKSA-N 2 1 303.475 3.159 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000658314484 436428514 /nfs/dbraw/zinc/42/85/14/436428514.db2.gz HFUMABVKURIDCD-JLJPHGGASA-N 2 1 315.486 3.301 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn[nH]c1 ZINC000658319295 436428597 /nfs/dbraw/zinc/42/85/97/436428597.db2.gz ZAIZTQCYGMOMRS-VQIMIIECSA-N 2 1 324.472 3.363 20 0 DGADMP c1cc2c(cc[nH+]c2N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000663825611 436514235 /nfs/dbraw/zinc/51/42/35/436514235.db2.gz LYVWOZKWBPQUAV-ZDUSSCGKSA-N 2 1 307.401 3.090 20 0 DGADMP Cc1cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929339 436561627 /nfs/dbraw/zinc/56/16/27/436561627.db2.gz RETDGDKSNNVVJC-FUHWJXTLSA-N 2 1 316.493 3.180 20 0 DGADMP COc1cccc(SCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659984751 436574695 /nfs/dbraw/zinc/57/46/95/436574695.db2.gz SVAZGJNVDWRHIR-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659984751 436574698 /nfs/dbraw/zinc/57/46/98/436574698.db2.gz SVAZGJNVDWRHIR-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000659984751 436574701 /nfs/dbraw/zinc/57/47/01/436574701.db2.gz SVAZGJNVDWRHIR-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000659984751 436574703 /nfs/dbraw/zinc/57/47/03/436574703.db2.gz SVAZGJNVDWRHIR-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP c1ccc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116438 436590013 /nfs/dbraw/zinc/59/00/13/436590013.db2.gz ZGDQXOHSSGEESV-QRWLVFNGSA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116438 436590016 /nfs/dbraw/zinc/59/00/16/436590016.db2.gz ZGDQXOHSSGEESV-QRWLVFNGSA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnc2c1 ZINC000660116438 436590018 /nfs/dbraw/zinc/59/00/18/436590018.db2.gz ZGDQXOHSSGEESV-QRWLVFNGSA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cnc2c1 ZINC000660116438 436590021 /nfs/dbraw/zinc/59/00/21/436590021.db2.gz ZGDQXOHSSGEESV-QRWLVFNGSA-N 2 1 322.456 3.079 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194444 436601906 /nfs/dbraw/zinc/60/19/06/436601906.db2.gz JITOPPABOCNENU-ZWKOTPCHSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194444 436601911 /nfs/dbraw/zinc/60/19/11/436601911.db2.gz JITOPPABOCNENU-ZWKOTPCHSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212525 436606682 /nfs/dbraw/zinc/60/66/82/436606682.db2.gz LDXXNBZIVKCARF-QCSYZSNVSA-N 2 1 324.896 3.328 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212525 436606685 /nfs/dbraw/zinc/60/66/85/436606685.db2.gz LDXXNBZIVKCARF-QCSYZSNVSA-N 2 1 324.896 3.328 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000660220089 436607848 /nfs/dbraw/zinc/60/78/48/436607848.db2.gz HFBNDKKFYJQLHC-RTBURBONSA-N 2 1 304.478 3.209 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000660220089 436607849 /nfs/dbraw/zinc/60/78/49/436607849.db2.gz HFBNDKKFYJQLHC-RTBURBONSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000660256448 436614868 /nfs/dbraw/zinc/61/48/68/436614868.db2.gz MNVFQPUTKRCQDR-FCGDIQPGSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256448 436614871 /nfs/dbraw/zinc/61/48/71/436614871.db2.gz MNVFQPUTKRCQDR-FCGDIQPGSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256448 436614874 /nfs/dbraw/zinc/61/48/74/436614874.db2.gz MNVFQPUTKRCQDR-FCGDIQPGSA-N 2 1 321.553 3.207 20 0 DGADMP c1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377199998 313028129 /nfs/dbraw/zinc/02/81/29/313028129.db2.gz WGZYADOBPJZVMO-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377199998 313028130 /nfs/dbraw/zinc/02/81/30/313028130.db2.gz WGZYADOBPJZVMO-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377199998 313028133 /nfs/dbraw/zinc/02/81/33/313028133.db2.gz WGZYADOBPJZVMO-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000527230312 313044689 /nfs/dbraw/zinc/04/46/89/313044689.db2.gz SAHIGNRILFRGHN-OAHLLOKOSA-N 2 1 324.415 3.215 20 0 DGADMP COc1cccc([C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)OC)c1 ZINC000530212446 313339751 /nfs/dbraw/zinc/33/97/51/313339751.db2.gz SCNJFHPEUAKOSB-QYZOEREBSA-N 2 1 312.413 3.117 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216981 313341416 /nfs/dbraw/zinc/34/14/16/313341416.db2.gz DVLPRNGKIGZBIR-KSSFIOAISA-N 2 1 310.445 3.116 20 0 DGADMP FC(F)(F)c1cccc2c1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000530230650 313344096 /nfs/dbraw/zinc/34/40/96/313344096.db2.gz BZFPILHRWOAFIO-UHFFFAOYSA-N 2 1 312.379 3.453 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)CC2(C)C)c1 ZINC000530244489 313347161 /nfs/dbraw/zinc/34/71/61/313347161.db2.gz LWLYVMVBTXBWRI-PKOBYXMFSA-N 2 1 302.462 3.120 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)CC2(C)C)c1 ZINC000530244483 313347195 /nfs/dbraw/zinc/34/71/95/313347195.db2.gz LWLYVMVBTXBWRI-IEBWSBKVSA-N 2 1 302.462 3.120 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC000530249756 313348359 /nfs/dbraw/zinc/34/83/59/313348359.db2.gz YUAOHXJSUDAJNP-CHWSQXEVSA-N 2 1 312.379 3.452 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(C)(C)C)cc1 ZINC000530354990 313360744 /nfs/dbraw/zinc/36/07/44/313360744.db2.gz QDMNMOAANUNAQZ-AWEZNQCLSA-N 2 1 301.434 3.491 20 0 DGADMP COc1ccccc1[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCCC1 ZINC000530460254 313372510 /nfs/dbraw/zinc/37/25/10/313372510.db2.gz CZHZVALKRIPWEV-IBGZPJMESA-N 2 1 313.445 3.492 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000539076892 313898560 /nfs/dbraw/zinc/89/85/60/313898560.db2.gz CNMFQDBJZKIHMF-HUUCEWRRSA-N 2 1 301.434 3.495 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCC[C@@H](C)C1 ZINC000542085565 314056533 /nfs/dbraw/zinc/05/65/33/314056533.db2.gz LKIAVNCZPAWSHQ-HGKSCXNLSA-N 2 1 318.505 3.375 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000546689529 314322072 /nfs/dbraw/zinc/32/20/72/314322072.db2.gz GNSBOFFXWUUCGL-KZNAEPCWSA-N 2 1 301.478 3.348 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000548860839 314479870 /nfs/dbraw/zinc/47/98/70/314479870.db2.gz YSHUOOUMNDMIIZ-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000562956307 315064416 /nfs/dbraw/zinc/06/44/16/315064416.db2.gz UOUOUEVBMUPLBE-UHFFFAOYSA-N 3 1 315.505 3.019 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000563777285 315136951 /nfs/dbraw/zinc/13/69/51/315136951.db2.gz GMUNMRUVUDHXHU-SJORKVTESA-N 2 1 323.550 3.308 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000565080088 315228076 /nfs/dbraw/zinc/22/80/76/315228076.db2.gz SSKGXTQIBXTYLL-UHFFFAOYSA-N 2 1 323.912 3.156 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000565137199 315233891 /nfs/dbraw/zinc/23/38/91/315233891.db2.gz XEECCDHRQFEPDU-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)OCc1ccccc1 ZINC000565175287 315238150 /nfs/dbraw/zinc/23/81/50/315238150.db2.gz VLUHRMUPEGTLLQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H](CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)OCc1ccccc1 ZINC000565175287 315238151 /nfs/dbraw/zinc/23/81/51/315238151.db2.gz VLUHRMUPEGTLLQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H](CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)OCc1ccccc1 ZINC000565175287 315238154 /nfs/dbraw/zinc/23/81/54/315238154.db2.gz VLUHRMUPEGTLLQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H](CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)OCc1ccccc1 ZINC000565175287 315238156 /nfs/dbraw/zinc/23/81/56/315238156.db2.gz VLUHRMUPEGTLLQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000565437701 315261477 /nfs/dbraw/zinc/26/14/77/315261477.db2.gz YCLUJTJOEVLILC-ROUUACIJSA-N 2 1 300.446 3.084 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000565554242 315270514 /nfs/dbraw/zinc/27/05/14/315270514.db2.gz UCONFHGXQNVTSM-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000565554242 315270515 /nfs/dbraw/zinc/27/05/15/315270515.db2.gz UCONFHGXQNVTSM-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000565554242 315270517 /nfs/dbraw/zinc/27/05/17/315270517.db2.gz UCONFHGXQNVTSM-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000565962839 315300686 /nfs/dbraw/zinc/30/06/86/315300686.db2.gz XCAGZRYVCPLBPY-CVEARBPZSA-N 2 1 314.477 3.442 20 0 DGADMP [NH3+]C1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CCCCCC1 ZINC000566087879 315310924 /nfs/dbraw/zinc/31/09/24/315310924.db2.gz AGQQGBPWLYUPQK-LJQANCHMSA-N 2 1 324.472 3.402 20 0 DGADMP COc1ccc([C@H](NC[C@H]2CCC[N@@H+](C)C2)C(C)C)c(F)c1 ZINC000566084880 315311333 /nfs/dbraw/zinc/31/13/33/315311333.db2.gz UAWNVVRLFPLJGA-RDTXWAMCSA-N 2 1 308.441 3.463 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000566084880 315311334 /nfs/dbraw/zinc/31/13/34/315311334.db2.gz UAWNVVRLFPLJGA-RDTXWAMCSA-N 2 1 308.441 3.463 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CCCOC3)C2)s1 ZINC000566306724 315333259 /nfs/dbraw/zinc/33/32/59/315333259.db2.gz WWEURBIEVRKDQE-DLBZAZTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCCOC3)C2)s1 ZINC000566306724 315333261 /nfs/dbraw/zinc/33/32/61/315333261.db2.gz WWEURBIEVRKDQE-DLBZAZTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCCOC3)C2)s1 ZINC000566306724 315333263 /nfs/dbraw/zinc/33/32/63/315333263.db2.gz WWEURBIEVRKDQE-DLBZAZTESA-N 2 1 322.518 3.237 20 0 DGADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000566423311 315344332 /nfs/dbraw/zinc/34/43/32/315344332.db2.gz KYOMWZAPBTYLMM-UHFFFAOYSA-N 2 1 324.896 3.098 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000568179760 315487229 /nfs/dbraw/zinc/48/72/29/315487229.db2.gz GCNGAMQKYNMHRD-IAGOWNOFSA-N 2 1 321.534 3.205 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1cc2ccccc2nc1N1CCCCC1 ZINC000575401403 316051644 /nfs/dbraw/zinc/05/16/44/316051644.db2.gz XAHPUORSMLMVJK-UHFFFAOYSA-N 2 1 312.461 3.006 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc2ccccc2nc1N1CCCCC1 ZINC000575401403 316051647 /nfs/dbraw/zinc/05/16/47/316051647.db2.gz XAHPUORSMLMVJK-UHFFFAOYSA-N 2 1 312.461 3.006 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000575828420 316066202 /nfs/dbraw/zinc/06/62/02/316066202.db2.gz PILRVHVGGLKWQA-KVPLUYHFSA-N 2 1 316.489 3.097 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c2ccccn21 ZINC000576046028 316088409 /nfs/dbraw/zinc/08/84/09/316088409.db2.gz ZYSNXGVYVMQPCL-NVXWUHKLSA-N 2 1 314.477 3.276 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c2ccccn21 ZINC000576046028 316088410 /nfs/dbraw/zinc/08/84/10/316088410.db2.gz ZYSNXGVYVMQPCL-NVXWUHKLSA-N 2 1 314.477 3.276 20 0 DGADMP Clc1ccc(CCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000577179038 316210252 /nfs/dbraw/zinc/21/02/52/316210252.db2.gz XXOFCHCBYKDPRN-OKILXGFUSA-N 2 1 313.272 3.467 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCc2cncn2C)C1(CC)CC ZINC000577408448 316233396 /nfs/dbraw/zinc/23/33/96/316233396.db2.gz XXAJBWMJIPQVNB-DLBZAZTESA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408448 316233399 /nfs/dbraw/zinc/23/33/99/316233399.db2.gz XXAJBWMJIPQVNB-DLBZAZTESA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408448 316233401 /nfs/dbraw/zinc/23/34/01/316233401.db2.gz XXAJBWMJIPQVNB-DLBZAZTESA-N 2 1 307.482 3.268 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000577865801 316279079 /nfs/dbraw/zinc/27/90/79/316279079.db2.gz OHINCJWTSOTNQF-AEJSXWLSSA-N 2 1 307.385 3.473 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C12CCC2 ZINC000182045784 323281400 /nfs/dbraw/zinc/28/14/00/323281400.db2.gz WOGKYWQOYLXCRO-RCCFBDPRSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nccn1C ZINC000182243779 323288740 /nfs/dbraw/zinc/28/87/40/323288740.db2.gz VETDEHPZMIWPFF-INIZCTEOSA-N 2 1 312.461 3.257 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000183024337 323320324 /nfs/dbraw/zinc/32/03/24/323320324.db2.gz DRCJWZVFYRXXRQ-ZRNYENFQSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2)[NH+]1CCCCC1 ZINC000184501452 323367097 /nfs/dbraw/zinc/36/70/97/323367097.db2.gz RBAFXIVNFANNRG-HZPDHXFCSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748633 323393861 /nfs/dbraw/zinc/39/38/61/323393861.db2.gz VMCSTHVYPNKHQB-JKSUJKDBSA-N 2 1 320.452 3.447 20 0 DGADMP C[C@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764296 323395352 /nfs/dbraw/zinc/39/53/52/323395352.db2.gz HZENYZAHEZWNHO-ROUUACIJSA-N 2 1 315.505 3.365 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC000582546167 324243341 /nfs/dbraw/zinc/24/33/41/324243341.db2.gz DDPMGIUPCMMFJY-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000582546185 324243539 /nfs/dbraw/zinc/24/35/39/324243539.db2.gz FKKORWPUDFGYDK-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000582546185 324243544 /nfs/dbraw/zinc/24/35/44/324243544.db2.gz FKKORWPUDFGYDK-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)c1 ZINC000582825868 324280066 /nfs/dbraw/zinc/28/00/66/324280066.db2.gz SDCDOAMFNXTIKW-INIZCTEOSA-N 2 1 317.477 3.176 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)c1 ZINC000582825868 324280068 /nfs/dbraw/zinc/28/00/68/324280068.db2.gz SDCDOAMFNXTIKW-INIZCTEOSA-N 2 1 317.477 3.176 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032535 324305054 /nfs/dbraw/zinc/30/50/54/324305054.db2.gz NFFIKQZRSHBGQX-KXBFYZLASA-N 2 1 313.445 3.444 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032535 324305057 /nfs/dbraw/zinc/30/50/57/324305057.db2.gz NFFIKQZRSHBGQX-KXBFYZLASA-N 2 1 313.445 3.444 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000584284242 332211083 /nfs/dbraw/zinc/21/10/83/332211083.db2.gz YHIHBOZBKMDQCX-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000584284242 332211084 /nfs/dbraw/zinc/21/10/84/332211084.db2.gz YHIHBOZBKMDQCX-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000584284242 332211085 /nfs/dbraw/zinc/21/10/85/332211085.db2.gz YHIHBOZBKMDQCX-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000395120411 1176785881 /nfs/dbraw/zinc/78/58/81/1176785881.db2.gz KDUCBMMPDHDQNF-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000395120411 1176785892 /nfs/dbraw/zinc/78/58/92/1176785892.db2.gz KDUCBMMPDHDQNF-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1F ZINC000292797707 533778861 /nfs/dbraw/zinc/77/88/61/533778861.db2.gz NDGLMQVPGDATBR-KXBFYZLASA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292797707 533778870 /nfs/dbraw/zinc/77/88/70/533778870.db2.gz NDGLMQVPGDATBR-KXBFYZLASA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000292797707 533778873 /nfs/dbraw/zinc/77/88/73/533778873.db2.gz NDGLMQVPGDATBR-KXBFYZLASA-N 2 1 320.452 3.041 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751160 533844924 /nfs/dbraw/zinc/84/49/24/533844924.db2.gz BSLREUOUULKWFH-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751160 533844934 /nfs/dbraw/zinc/84/49/34/533844934.db2.gz BSLREUOUULKWFH-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763280 533843898 /nfs/dbraw/zinc/84/38/98/533843898.db2.gz INXRDAUVRVNKPK-GPMSIDNRSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763280 533843905 /nfs/dbraw/zinc/84/39/05/533843905.db2.gz INXRDAUVRVNKPK-GPMSIDNRSA-N 2 1 323.440 3.036 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1SC ZINC000295041853 533870592 /nfs/dbraw/zinc/87/05/92/533870592.db2.gz OSXICCXMUXWDOJ-GOOCMWNKSA-N 2 1 306.475 3.132 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1SC ZINC000295041853 533870602 /nfs/dbraw/zinc/87/06/02/533870602.db2.gz OSXICCXMUXWDOJ-GOOCMWNKSA-N 2 1 306.475 3.132 20 0 DGADMP Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000434678945 533918734 /nfs/dbraw/zinc/91/87/34/533918734.db2.gz AGTBUYFHIGGTMS-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc3ccccc32)CCCO1 ZINC000432368179 533940374 /nfs/dbraw/zinc/94/03/74/533940374.db2.gz LBHOBAOWMQASTL-KRWDZBQOSA-N 2 1 312.457 3.430 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cc2)n1 ZINC000430559185 534096101 /nfs/dbraw/zinc/09/61/01/534096101.db2.gz ZVNXWOPCQBOJOJ-WMZOPIPTSA-N 2 1 312.461 3.048 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CCC[NH2+]C3CC3)s2)cc1 ZINC000415071200 534217702 /nfs/dbraw/zinc/21/77/02/534217702.db2.gz SJGHDNUAJHOYJY-UHFFFAOYSA-N 2 1 301.459 3.350 20 0 DGADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414861604 534413380 /nfs/dbraw/zinc/41/33/80/534413380.db2.gz SEOGPZNVFNZTKS-LSDHHAIUSA-N 2 1 315.383 3.272 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000428880009 534419106 /nfs/dbraw/zinc/41/91/06/534419106.db2.gz IVJRCCZRVGAWPT-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000428880009 534419109 /nfs/dbraw/zinc/41/91/09/534419109.db2.gz IVJRCCZRVGAWPT-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C1CCOCC1 ZINC000154885764 519630733 /nfs/dbraw/zinc/63/07/33/519630733.db2.gz AFPNREZKMPKISE-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP Fc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882334 534523687 /nfs/dbraw/zinc/52/36/87/534523687.db2.gz SJZJHCNRKPJKSI-MRXNPFEDSA-N 2 1 306.425 3.012 20 0 DGADMP Fc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882334 534523694 /nfs/dbraw/zinc/52/36/94/534523694.db2.gz SJZJHCNRKPJKSI-MRXNPFEDSA-N 2 1 306.425 3.012 20 0 DGADMP Fc1cccc(Oc2ncccc2C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000415082311 534526414 /nfs/dbraw/zinc/52/64/14/534526414.db2.gz OCSVOQHTXOOBHJ-AWEZNQCLSA-N 2 1 315.392 3.102 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000154529303 522825644 /nfs/dbraw/zinc/82/56/44/522825644.db2.gz QQUDUJBHJFQZPQ-LJQANCHMSA-N 2 1 321.484 3.284 20 0 DGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415047233 534791600 /nfs/dbraw/zinc/79/16/00/534791600.db2.gz VUURQCHVTLEGTC-IBGZPJMESA-N 2 1 310.441 3.130 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@H+]1C ZINC000157422597 525270030 /nfs/dbraw/zinc/27/00/30/525270030.db2.gz ZWYPRKGSDYFVJB-OCCSQVGLSA-N 2 1 303.837 3.461 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000163298302 527395676 /nfs/dbraw/zinc/39/56/76/527395676.db2.gz HZXRBIGNQYZXRQ-LJQANCHMSA-N 2 1 313.445 3.219 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000163298302 527395682 /nfs/dbraw/zinc/39/56/82/527395682.db2.gz HZXRBIGNQYZXRQ-LJQANCHMSA-N 2 1 313.445 3.219 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000428452476 527711479 /nfs/dbraw/zinc/71/14/79/527711479.db2.gz BUZFOAGBOOWKOA-MJGOQNOKSA-N 2 1 313.489 3.203 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422996199 527967016 /nfs/dbraw/zinc/96/70/16/527967016.db2.gz LHFSTQIMLDATJU-MISYRCLQSA-N 2 1 317.521 3.045 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295696413 527985707 /nfs/dbraw/zinc/98/57/07/527985707.db2.gz MCDQBUWNXGGZNU-GOSISDBHSA-N 2 1 318.505 3.372 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000428513306 527997572 /nfs/dbraw/zinc/99/75/72/527997572.db2.gz WXEJMWQJKCGALG-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000428513306 527997577 /nfs/dbraw/zinc/99/75/77/527997577.db2.gz WXEJMWQJKCGALG-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000428513306 527997586 /nfs/dbraw/zinc/99/75/86/527997586.db2.gz WXEJMWQJKCGALG-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cnc(C)cn1 ZINC000428443590 528173336 /nfs/dbraw/zinc/17/33/36/528173336.db2.gz ZGDULLVSSVKMCN-IXDOHACOSA-N 2 1 304.482 3.336 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000435371183 528233601 /nfs/dbraw/zinc/23/36/01/528233601.db2.gz LPWIEOGETYNGNE-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000435371183 528233604 /nfs/dbraw/zinc/23/36/04/528233604.db2.gz LPWIEOGETYNGNE-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000420365730 528430856 /nfs/dbraw/zinc/43/08/56/528430856.db2.gz FIQMWAASNJSCAX-IBGZPJMESA-N 3 1 321.553 3.210 20 0 DGADMP CC[N@@H+](CCOc1ccc(SC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613774 528574404 /nfs/dbraw/zinc/57/44/04/528574404.db2.gz KZHILIJZGAUKOE-OAHLLOKOSA-N 2 1 308.491 3.251 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000435390301 528670891 /nfs/dbraw/zinc/67/08/91/528670891.db2.gz RASGEXZILZEUPJ-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000435390301 528670900 /nfs/dbraw/zinc/67/09/00/528670900.db2.gz RASGEXZILZEUPJ-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435435850 528672193 /nfs/dbraw/zinc/67/21/93/528672193.db2.gz CNDQPHLUPRKGFC-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000435386393 528672647 /nfs/dbraw/zinc/67/26/47/528672647.db2.gz WUPWILMOUCVHQG-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000435386393 528672656 /nfs/dbraw/zinc/67/26/56/528672656.db2.gz WUPWILMOUCVHQG-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428303092 528719901 /nfs/dbraw/zinc/71/99/01/528719901.db2.gz OJOFSMIZQVZPTR-HNNXBMFYSA-N 2 1 316.449 3.124 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428303092 528719904 /nfs/dbraw/zinc/71/99/04/528719904.db2.gz OJOFSMIZQVZPTR-HNNXBMFYSA-N 2 1 316.449 3.124 20 0 DGADMP CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435616286 528763374 /nfs/dbraw/zinc/76/33/74/528763374.db2.gz KIVYAXULCXIBGF-INIZCTEOSA-N 2 1 317.408 3.445 20 0 DGADMP CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435616286 528763378 /nfs/dbraw/zinc/76/33/78/528763378.db2.gz KIVYAXULCXIBGF-INIZCTEOSA-N 2 1 317.408 3.445 20 0 DGADMP CC(C)[NH+](CCCNc1[nH+]c2cccc(F)c2n1C)C(C)C ZINC000443511732 528880789 /nfs/dbraw/zinc/88/07/89/528880789.db2.gz QYWIHSRSBXWUHK-UHFFFAOYSA-N 2 1 306.429 3.055 20 0 DGADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC000431567313 528905474 /nfs/dbraw/zinc/90/54/74/528905474.db2.gz UVAJQQLHQVCERV-SFHVURJKSA-N 2 1 323.525 3.019 20 0 DGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442887967 529165516 /nfs/dbraw/zinc/16/55/16/529165516.db2.gz CKMFJCOOMOCWBB-QGZVFWFLSA-N 2 1 323.912 3.407 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000472262536 535549668 /nfs/dbraw/zinc/54/96/68/535549668.db2.gz QWLPVHNHVIEQAS-QUCCMNQESA-N 2 1 316.489 3.497 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459422350 535819828 /nfs/dbraw/zinc/81/98/28/535819828.db2.gz XUXRBXUZIQRIML-MRXNPFEDSA-N 2 1 307.526 3.103 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c1 ZINC000469721359 535885826 /nfs/dbraw/zinc/88/58/26/535885826.db2.gz PVSRRZLDWCKJJW-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)[C@H]1C ZINC000449385429 536318410 /nfs/dbraw/zinc/31/84/10/536318410.db2.gz QKJKOYDGCBCKEU-XLAORIBOSA-N 2 1 324.509 3.064 20 0 DGADMP COc1cccc([C@H]2C[C@H]([N@H+](C)CCCn3cc[nH+]c3C)C2)c1 ZINC000452010841 536905281 /nfs/dbraw/zinc/90/52/81/536905281.db2.gz BUUSMMQBEHZXMX-IYARVYRRSA-N 2 1 313.445 3.468 20 0 DGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCn3cc[nH+]c3C)C2)c1 ZINC000452010841 536905286 /nfs/dbraw/zinc/90/52/86/536905286.db2.gz BUUSMMQBEHZXMX-IYARVYRRSA-N 2 1 313.445 3.468 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000090453368 545828140 /nfs/dbraw/zinc/82/81/40/545828140.db2.gz ACJOTQDZVTVOEE-JJRVBVJISA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000090453368 545828142 /nfs/dbraw/zinc/82/81/42/545828142.db2.gz ACJOTQDZVTVOEE-JJRVBVJISA-N 2 1 308.853 3.244 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000118945454 545874878 /nfs/dbraw/zinc/87/48/78/545874878.db2.gz PLKFKLUEEZUOPB-IBGZPJMESA-N 2 1 303.494 3.062 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000122988498 545903697 /nfs/dbraw/zinc/90/36/97/545903697.db2.gz AMQGMNXNGAULLV-UHFFFAOYSA-N 3 1 315.505 3.246 20 0 DGADMP COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1 ZINC000123799825 545909065 /nfs/dbraw/zinc/90/90/65/545909065.db2.gz FYWNHBMRTDAUFI-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1 ZINC000123799825 545909067 /nfs/dbraw/zinc/90/90/67/545909067.db2.gz FYWNHBMRTDAUFI-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc(OC)c1 ZINC000123799825 545909070 /nfs/dbraw/zinc/90/90/70/545909070.db2.gz FYWNHBMRTDAUFI-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc(OC)c1 ZINC000123799825 545909073 /nfs/dbraw/zinc/90/90/73/545909073.db2.gz FYWNHBMRTDAUFI-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159250957 546052123 /nfs/dbraw/zinc/05/21/23/546052123.db2.gz QYVCMJBHEVVJRN-PXNSSMCTSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCN1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159250957 546052131 /nfs/dbraw/zinc/05/21/31/546052131.db2.gz QYVCMJBHEVVJRN-PXNSSMCTSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000161621125 546071247 /nfs/dbraw/zinc/07/12/47/546071247.db2.gz SIIIPRYVUGVLLH-VDZJLULYSA-N 2 1 310.445 3.150 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166548414 546096663 /nfs/dbraw/zinc/09/66/63/546096663.db2.gz IYSQXOXGPWCIAX-WBMJQRKESA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166548414 546096669 /nfs/dbraw/zinc/09/66/69/546096669.db2.gz IYSQXOXGPWCIAX-WBMJQRKESA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251537100 546330001 /nfs/dbraw/zinc/33/00/01/546330001.db2.gz AOYRUVBTTRKGKQ-TZMCWYRMSA-N 2 1 302.340 3.144 20 0 DGADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279583216 546375358 /nfs/dbraw/zinc/37/53/58/546375358.db2.gz USSSXSDELYMQDP-IJXRJRJASA-N 2 1 316.489 3.444 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CC2 ZINC000280020334 546377955 /nfs/dbraw/zinc/37/79/55/546377955.db2.gz HKGQBOFWDZPONB-INIZCTEOSA-N 2 1 306.450 3.011 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CC2 ZINC000280020334 546377957 /nfs/dbraw/zinc/37/79/57/546377957.db2.gz HKGQBOFWDZPONB-INIZCTEOSA-N 2 1 306.450 3.011 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312131 546386239 /nfs/dbraw/zinc/38/62/39/546386239.db2.gz RVLDRSQWIGFMKX-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312131 546386244 /nfs/dbraw/zinc/38/62/44/546386244.db2.gz RVLDRSQWIGFMKX-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000282513591 546391956 /nfs/dbraw/zinc/39/19/56/546391956.db2.gz TVGGHVZEFVOPHL-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000282513591 546391962 /nfs/dbraw/zinc/39/19/62/546391962.db2.gz TVGGHVZEFVOPHL-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000282513600 546392109 /nfs/dbraw/zinc/39/21/09/546392109.db2.gz TVGGHVZEFVOPHL-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000282513600 546392116 /nfs/dbraw/zinc/39/21/16/546392116.db2.gz TVGGHVZEFVOPHL-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP CN(CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339070649 546532873 /nfs/dbraw/zinc/53/28/73/546532873.db2.gz NVXGPEVNCXJBJY-MJGOQNOKSA-N 2 1 301.478 3.119 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000339075612 546533040 /nfs/dbraw/zinc/53/30/40/546533040.db2.gz QHEALNGFDBBTAQ-OKZBNKHCSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000339075612 546533046 /nfs/dbraw/zinc/53/30/46/546533046.db2.gz QHEALNGFDBBTAQ-OKZBNKHCSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000339075612 546533047 /nfs/dbraw/zinc/53/30/47/546533047.db2.gz QHEALNGFDBBTAQ-OKZBNKHCSA-N 2 1 321.534 3.347 20 0 DGADMP c1ccc([C@H](C[NH+]2CCCC2)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339071063 546533275 /nfs/dbraw/zinc/53/32/75/546533275.db2.gz PZPZPVVSKXZQQK-UFYCRDLUSA-N 2 1 313.489 3.040 20 0 DGADMP CC(C)(C)c1csc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339069758 546533832 /nfs/dbraw/zinc/53/38/32/546533832.db2.gz VNFAOMUYHQOUKC-KGLIPLIRSA-N 2 1 307.507 3.200 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000339249640 546536533 /nfs/dbraw/zinc/53/65/33/546536533.db2.gz XAXYXWCICOMQID-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP c1ccc(COCCC2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000347218892 546582688 /nfs/dbraw/zinc/58/26/88/546582688.db2.gz BWMUOGFNCVXJFN-MOPGFXCFSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@@H+]1C ZINC000347201580 546582801 /nfs/dbraw/zinc/58/28/01/546582801.db2.gz LBWMFKHGHPVTIH-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000347201580 546582804 /nfs/dbraw/zinc/58/28/04/546582804.db2.gz LBWMFKHGHPVTIH-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3scnc3C3CC3)C2)CC1 ZINC000349189489 546599735 /nfs/dbraw/zinc/59/97/35/546599735.db2.gz LNYLHPXNVNWIGQ-HNNXBMFYSA-N 2 1 305.491 3.184 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H](Nc3cc[nH+]c4ccccc34)C2)cc1 ZINC000381083236 546738109 /nfs/dbraw/zinc/73/81/09/546738109.db2.gz UDXIPADTGLGYRO-QGZVFWFLSA-N 2 1 303.409 3.343 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000414187165 546780940 /nfs/dbraw/zinc/78/09/40/546780940.db2.gz QFTJAEPVBXLXLJ-JEVOJNTISA-N 2 1 302.462 3.369 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000414187165 546780948 /nfs/dbraw/zinc/78/09/48/546780948.db2.gz QFTJAEPVBXLXLJ-JEVOJNTISA-N 2 1 302.462 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414909026 546789430 /nfs/dbraw/zinc/78/94/30/546789430.db2.gz BTGGQUMXEOTLAO-ZIAGYGMSSA-N 2 1 307.869 3.300 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)CC(C)C ZINC000417326220 546799120 /nfs/dbraw/zinc/79/91/20/546799120.db2.gz ASTNZYIVJAZAJS-CEXWTWQISA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)CC(C)C ZINC000417326220 546799126 /nfs/dbraw/zinc/79/91/26/546799126.db2.gz ASTNZYIVJAZAJS-CEXWTWQISA-N 2 1 304.478 3.473 20 0 DGADMP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000443447040 546834547 /nfs/dbraw/zinc/83/45/47/546834547.db2.gz ODADFOLXBUQLNV-LLVKDONJSA-N 2 1 309.335 3.394 20 0 DGADMP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000443447040 546834553 /nfs/dbraw/zinc/83/45/53/546834553.db2.gz ODADFOLXBUQLNV-LLVKDONJSA-N 2 1 309.335 3.394 20 0 DGADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453312389 546858843 /nfs/dbraw/zinc/85/88/43/546858843.db2.gz QRLWQBLHDTYITR-AZUAARDMSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453312389 546858846 /nfs/dbraw/zinc/85/88/46/546858846.db2.gz QRLWQBLHDTYITR-AZUAARDMSA-N 2 1 309.457 3.358 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@H]1c1ccccc1 ZINC000453377492 546859945 /nfs/dbraw/zinc/85/99/45/546859945.db2.gz XRAWBBCROWHSCR-SJORKVTESA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@H]1c1ccccc1 ZINC000453377492 546859946 /nfs/dbraw/zinc/85/99/46/546859946.db2.gz XRAWBBCROWHSCR-SJORKVTESA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000453404358 546861555 /nfs/dbraw/zinc/86/15/55/546861555.db2.gz RMNWQUIKCRLLSB-OALUTQOASA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000453404358 546861558 /nfs/dbraw/zinc/86/15/58/546861558.db2.gz RMNWQUIKCRLLSB-OALUTQOASA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@H](NCC[N@H+]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000453404358 546861563 /nfs/dbraw/zinc/86/15/63/546861563.db2.gz RMNWQUIKCRLLSB-OALUTQOASA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cscc2Br)C1 ZINC000459730642 546894593 /nfs/dbraw/zinc/89/45/93/546894593.db2.gz FBRSTGDXMWKPNM-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP Cc1cc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603889 546949705 /nfs/dbraw/zinc/94/97/05/546949705.db2.gz NKVAPGBHGDYOPA-VQIMIIECSA-N 2 1 324.472 3.228 20 0 DGADMP Cc1cc(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603889 546949708 /nfs/dbraw/zinc/94/97/08/546949708.db2.gz NKVAPGBHGDYOPA-VQIMIIECSA-N 2 1 324.472 3.228 20 0 DGADMP C[C@@H](CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000532969654 546980936 /nfs/dbraw/zinc/98/09/36/546980936.db2.gz RNROXFPCAFGBJP-QMHWVQJVSA-N 2 1 316.580 3.417 20 0 DGADMP C[C@@H](CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1)[NH+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532969651 546980979 /nfs/dbraw/zinc/98/09/79/546980979.db2.gz RNROXFPCAFGBJP-ARKGTOAJSA-N 2 1 316.580 3.417 20 0 DGADMP C[C@@H](CC[NH+]1C[C@@H](C)S[C@@H](C)C1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532969651 546980982 /nfs/dbraw/zinc/98/09/82/546980982.db2.gz RNROXFPCAFGBJP-ARKGTOAJSA-N 2 1 316.580 3.417 20 0 DGADMP C[C@@H](CC[NH+]1C[C@@H](C)S[C@@H](C)C1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532969651 546980984 /nfs/dbraw/zinc/98/09/84/546980984.db2.gz RNROXFPCAFGBJP-ARKGTOAJSA-N 2 1 316.580 3.417 20 0 DGADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667615284 547243047 /nfs/dbraw/zinc/24/30/47/547243047.db2.gz LFXMDOZDYROLPT-HNNXBMFYSA-N 2 1 322.387 3.396 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000667706232 547282772 /nfs/dbraw/zinc/28/27/72/547282772.db2.gz UYIDKIZNFJFLFF-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000667706232 547282776 /nfs/dbraw/zinc/28/27/76/547282776.db2.gz UYIDKIZNFJFLFF-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000667706232 547282778 /nfs/dbraw/zinc/28/27/78/547282778.db2.gz UYIDKIZNFJFLFF-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667867834 547323747 /nfs/dbraw/zinc/32/37/47/547323747.db2.gz LBSQNZMMASXFIO-UIAACRFSSA-N 2 1 314.473 3.369 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667928877 547337065 /nfs/dbraw/zinc/33/70/65/547337065.db2.gz LEECSWHLZSRIAA-RBUKOAKNSA-N 2 1 302.462 3.184 20 0 DGADMP Cc1ncc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000668110545 547387096 /nfs/dbraw/zinc/38/70/96/547387096.db2.gz IWNJZYDXMPSHAZ-CYBMUJFWSA-N 2 1 301.356 3.283 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)c2ccccn21 ZINC000668458849 547459862 /nfs/dbraw/zinc/45/98/62/547459862.db2.gz KNJBFLULTGFWFP-OAHLLOKOSA-N 2 1 314.477 3.420 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)c2ccccn21 ZINC000668458849 547459863 /nfs/dbraw/zinc/45/98/63/547459863.db2.gz KNJBFLULTGFWFP-OAHLLOKOSA-N 2 1 314.477 3.420 20 0 DGADMP COC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000668712884 547517295 /nfs/dbraw/zinc/51/72/95/547517295.db2.gz CRUIMXATKOMWBX-VIQWUECVSA-N 2 1 314.473 3.056 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000668784435 547540254 /nfs/dbraw/zinc/54/02/54/547540254.db2.gz CREJSRLBZOIUDI-GOSISDBHSA-N 2 1 304.478 3.007 20 0 DGADMP CC(C)[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785032 547541314 /nfs/dbraw/zinc/54/13/14/547541314.db2.gz LQJZFGCTBREAFX-WOJBJXKFSA-N 2 1 318.505 3.469 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000669613506 547660906 /nfs/dbraw/zinc/66/09/06/547660906.db2.gz OGBNJQGCNVGPBU-MPGHIAIKSA-N 2 1 300.446 3.289 20 0 DGADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669709338 547677072 /nfs/dbraw/zinc/67/70/72/547677072.db2.gz UCAHRLLIYNJANC-GXZKXHAVSA-N 2 1 310.363 3.260 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000670266116 547740326 /nfs/dbraw/zinc/74/03/26/547740326.db2.gz ATTOACAKRLCHJY-MRXNPFEDSA-N 2 1 304.478 3.291 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C(C)(C)C ZINC000670267436 547741397 /nfs/dbraw/zinc/74/13/97/547741397.db2.gz FBZNPFRZJYWCOW-NZSAHSFTSA-N 2 1 318.505 3.141 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C(C)(C)C ZINC000670267436 547741399 /nfs/dbraw/zinc/74/13/99/547741399.db2.gz FBZNPFRZJYWCOW-NZSAHSFTSA-N 2 1 318.505 3.141 20 0 DGADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000672624095 547898078 /nfs/dbraw/zinc/89/80/78/547898078.db2.gz FLNPLHTWBXGXQM-KCITZHQASA-N 2 1 314.473 3.449 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000675497828 548226311 /nfs/dbraw/zinc/22/63/11/548226311.db2.gz QMVLZKRDZAGOJV-MOPGFXCFSA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000675497828 548226314 /nfs/dbraw/zinc/22/63/14/548226314.db2.gz QMVLZKRDZAGOJV-MOPGFXCFSA-N 2 1 312.461 3.088 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881966 548283222 /nfs/dbraw/zinc/28/32/22/548283222.db2.gz OEXGWRRTTVYGOO-YLJYHZDGSA-N 2 1 316.489 3.159 20 0 DGADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881444 548283518 /nfs/dbraw/zinc/28/35/18/548283518.db2.gz LHUWQWLOBJILMA-UYAOXDASSA-N 2 1 314.473 3.297 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675881167 548283532 /nfs/dbraw/zinc/28/35/32/548283532.db2.gz KFFHDCFOCHLKIU-QFBILLFUSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881940 548283539 /nfs/dbraw/zinc/28/35/39/548283539.db2.gz NRKIBZXRXNJGSH-ZWOKBUDYSA-N 2 1 316.489 3.412 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675934678 548295060 /nfs/dbraw/zinc/29/50/60/548295060.db2.gz RIVHCRDRGXVKFK-LMCOJAPRSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675934678 548295062 /nfs/dbraw/zinc/29/50/62/548295062.db2.gz RIVHCRDRGXVKFK-LMCOJAPRSA-N 2 1 316.489 3.180 20 0 DGADMP FC(F)(F)c1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677236822 548472942 /nfs/dbraw/zinc/47/29/42/548472942.db2.gz JGRFHBPMGCHQIB-HUUCEWRRSA-N 2 1 312.379 3.464 20 0 DGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237967 548474277 /nfs/dbraw/zinc/47/42/77/548474277.db2.gz SHHMBDOABXGHHK-KSZLIROESA-N 2 1 302.462 3.287 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000678006004 548591152 /nfs/dbraw/zinc/59/11/52/548591152.db2.gz PVSOODJQLIBSFW-MRXNPFEDSA-N 2 1 324.472 3.107 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000678078591 548608175 /nfs/dbraw/zinc/60/81/75/548608175.db2.gz RMYOVQFLRLTUIV-LJQANCHMSA-N 2 1 323.444 3.199 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000678078468 548608592 /nfs/dbraw/zinc/60/85/92/548608592.db2.gz ZUWOZOBQASUYQV-QZTJIDSGSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678078468 548608597 /nfs/dbraw/zinc/60/85/97/548608597.db2.gz ZUWOZOBQASUYQV-QZTJIDSGSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678078468 548608600 /nfs/dbraw/zinc/60/86/00/548608600.db2.gz ZUWOZOBQASUYQV-QZTJIDSGSA-N 2 1 301.478 3.201 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000678285214 548670615 /nfs/dbraw/zinc/67/06/15/548670615.db2.gz PREOECXUBMCTJX-CQSZACIVSA-N 2 1 316.898 3.334 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000678285214 548670622 /nfs/dbraw/zinc/67/06/22/548670622.db2.gz PREOECXUBMCTJX-CQSZACIVSA-N 2 1 316.898 3.334 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCOc2ccccc21 ZINC000678279699 548668167 /nfs/dbraw/zinc/66/81/67/548668167.db2.gz ZSAFXQTXDXWAPW-IAGOWNOFSA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCOc2ccccc21 ZINC000678279699 548668170 /nfs/dbraw/zinc/66/81/70/548668170.db2.gz ZSAFXQTXDXWAPW-IAGOWNOFSA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCOc2ccccc21 ZINC000678279699 548668173 /nfs/dbraw/zinc/66/81/73/548668173.db2.gz ZSAFXQTXDXWAPW-IAGOWNOFSA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C1CC1 ZINC000678338517 548681486 /nfs/dbraw/zinc/68/14/86/548681486.db2.gz DFJPTQMTQSTNSX-RLLQIKCJSA-N 2 1 314.473 3.248 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678603650 548738713 /nfs/dbraw/zinc/73/87/13/548738713.db2.gz BGQLVCPKGKZMJT-IRXDYDNUSA-N 2 1 302.462 3.189 20 0 DGADMP C[N@@H+](CCC1CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720603 548752880 /nfs/dbraw/zinc/75/28/80/548752880.db2.gz ZIXWCVFAFHQDAH-LJQANCHMSA-N 2 1 307.526 3.057 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000678837363 548776076 /nfs/dbraw/zinc/77/60/76/548776076.db2.gz WCZNYMKVPURWFT-LJQANCHMSA-N 2 1 318.505 3.397 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679136042 548835804 /nfs/dbraw/zinc/83/58/04/548835804.db2.gz HYVGEFRNZMLMKC-IAGOWNOFSA-N 2 1 319.493 3.302 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336323 548880560 /nfs/dbraw/zinc/88/05/60/548880560.db2.gz LLECVRPFEJCAJG-IEBWSBKVSA-N 2 1 304.478 3.039 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336365 548880654 /nfs/dbraw/zinc/88/06/54/548880654.db2.gz MRUJMCUGFNKBCE-YJBOKZPZSA-N 2 1 312.461 3.281 20 0 DGADMP C[C@H](CCCCO)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000679342297 548881756 /nfs/dbraw/zinc/88/17/56/548881756.db2.gz AYJRLONEWVNWGQ-SJORKVTESA-N 2 1 304.478 3.353 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679720648 548943879 /nfs/dbraw/zinc/94/38/79/548943879.db2.gz ACZZECNNUPXFES-DOTOQJQBSA-N 2 1 318.509 3.381 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679720648 548943882 /nfs/dbraw/zinc/94/38/82/548943882.db2.gz ACZZECNNUPXFES-DOTOQJQBSA-N 2 1 318.509 3.381 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000681391478 549202079 /nfs/dbraw/zinc/20/20/79/549202079.db2.gz IBKUZUZEYHJMPO-WZGPROSRSA-N 2 1 316.489 3.300 20 0 DGADMP CCn1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000683000360 549412479 /nfs/dbraw/zinc/41/24/79/549412479.db2.gz WKUOCIGJBCDOEA-UHFFFAOYSA-N 2 1 315.461 3.080 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683145327 549439100 /nfs/dbraw/zinc/43/91/00/549439100.db2.gz ZYYPROZPDBESGE-SFHVURJKSA-N 2 1 304.478 3.161 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000684377242 549622799 /nfs/dbraw/zinc/62/27/99/549622799.db2.gz SDZOWRNNNBCMQT-XUVXKRRUSA-N 2 1 316.489 3.098 20 0 DGADMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000684425247 549635670 /nfs/dbraw/zinc/63/56/70/549635670.db2.gz HVLIRKVBVYGMTR-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443070 549761369 /nfs/dbraw/zinc/76/13/69/549761369.db2.gz PTTPMXSLZMPPKD-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443070 549761372 /nfs/dbraw/zinc/76/13/72/549761372.db2.gz PTTPMXSLZMPPKD-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443070 549761373 /nfs/dbraw/zinc/76/13/73/549761373.db2.gz PTTPMXSLZMPPKD-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443070 549761377 /nfs/dbraw/zinc/76/13/77/549761377.db2.gz PTTPMXSLZMPPKD-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455718 549762345 /nfs/dbraw/zinc/76/23/45/549762345.db2.gz TUIQCUYAZYSHSH-WSTZPKSXSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455718 549762349 /nfs/dbraw/zinc/76/23/49/549762349.db2.gz TUIQCUYAZYSHSH-WSTZPKSXSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455718 549762352 /nfs/dbraw/zinc/76/23/52/549762352.db2.gz TUIQCUYAZYSHSH-WSTZPKSXSA-N 3 1 321.553 3.349 20 0 DGADMP CCc1[nH+]c2ccccc2c(N2CCN(c3[nH]cc[nH+]3)CC2)c1C ZINC000685916830 549807962 /nfs/dbraw/zinc/80/79/62/549807962.db2.gz CPTMADKQUKCVFC-UHFFFAOYSA-N 2 1 321.428 3.155 20 0 DGADMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000731041732 574541883 /nfs/dbraw/zinc/54/18/83/574541883.db2.gz SJWWJDXTCPFMQL-CQSZACIVSA-N 2 1 318.490 3.048 20 0 DGADMP CCCCOC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733841941 574640446 /nfs/dbraw/zinc/64/04/46/574640446.db2.gz MZRRSVARJAIYJL-MSOLQXFVSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733841941 574640448 /nfs/dbraw/zinc/64/04/48/574640448.db2.gz MZRRSVARJAIYJL-MSOLQXFVSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733841941 574640450 /nfs/dbraw/zinc/64/04/50/574640450.db2.gz MZRRSVARJAIYJL-MSOLQXFVSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733841941 574640452 /nfs/dbraw/zinc/64/04/52/574640452.db2.gz MZRRSVARJAIYJL-MSOLQXFVSA-N 2 1 324.509 3.306 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851775 575065261 /nfs/dbraw/zinc/06/52/61/575065261.db2.gz NGDJYVJGGXOXGI-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851775 575065263 /nfs/dbraw/zinc/06/52/63/575065263.db2.gz NGDJYVJGGXOXGI-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743852418 575065351 /nfs/dbraw/zinc/06/53/51/575065351.db2.gz ZGJYAYYJMRQOHP-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743852418 575065352 /nfs/dbraw/zinc/06/53/52/575065352.db2.gz ZGJYAYYJMRQOHP-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729683331 575260637 /nfs/dbraw/zinc/26/06/37/575260637.db2.gz KJJMEMBDYJNWLF-PMACEKPBSA-N 2 1 322.452 3.306 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729683331 575260638 /nfs/dbraw/zinc/26/06/38/575260638.db2.gz KJJMEMBDYJNWLF-PMACEKPBSA-N 2 1 322.452 3.306 20 0 DGADMP CCCCOC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000748437785 576078669 /nfs/dbraw/zinc/07/86/69/576078669.db2.gz ZDFZTJGBRPUJBH-SFHVURJKSA-N 2 1 324.509 3.164 20 0 DGADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000748437785 576078672 /nfs/dbraw/zinc/07/86/72/576078672.db2.gz ZDFZTJGBRPUJBH-SFHVURJKSA-N 2 1 324.509 3.164 20 0 DGADMP c1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000853093766 620667808 /nfs/dbraw/zinc/66/78/08/620667808.db2.gz QZMBMBPBBFNNIE-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000891746556 617888906 /nfs/dbraw/zinc/88/89/06/617888906.db2.gz VPUORMNRPSGTLS-UHFFFAOYSA-N 2 1 304.482 3.160 20 0 DGADMP C[NH+](C)CC1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000891883244 617919660 /nfs/dbraw/zinc/91/96/60/617919660.db2.gz KKHYYZPHZLDOQX-UHFFFAOYSA-N 2 1 312.461 3.220 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327572 617940061 /nfs/dbraw/zinc/94/00/61/617940061.db2.gz XUKDQJVVFDOEKJ-HOCLYGCPSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926327572 617940065 /nfs/dbraw/zinc/94/00/65/617940065.db2.gz XUKDQJVVFDOEKJ-HOCLYGCPSA-N 2 1 301.459 3.316 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(n1)CCCC2 ZINC000892100430 617961318 /nfs/dbraw/zinc/96/13/18/617961318.db2.gz GKKZURBEMCOSGI-QGZVFWFLSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(n1)CCCC2 ZINC000892100430 617961320 /nfs/dbraw/zinc/96/13/20/617961320.db2.gz GKKZURBEMCOSGI-QGZVFWFLSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106500 617964141 /nfs/dbraw/zinc/96/41/41/617964141.db2.gz WNDZBKYUADEYIN-RDJZCZTQSA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106500 617964147 /nfs/dbraw/zinc/96/41/47/617964147.db2.gz WNDZBKYUADEYIN-RDJZCZTQSA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106500 617964150 /nfs/dbraw/zinc/96/41/50/617964150.db2.gz WNDZBKYUADEYIN-RDJZCZTQSA-N 2 1 301.478 3.183 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892119558 617966648 /nfs/dbraw/zinc/96/66/48/617966648.db2.gz FBCVWSWPKUWTBY-KRWDZBQOSA-N 2 1 302.462 3.175 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892119558 617966650 /nfs/dbraw/zinc/96/66/50/617966650.db2.gz FBCVWSWPKUWTBY-KRWDZBQOSA-N 2 1 302.462 3.175 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000925472434 620766887 /nfs/dbraw/zinc/76/68/87/620766887.db2.gz HGDWVHGBDDTINC-VXGBXAGGSA-N 2 1 305.447 3.399 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000892186352 617980230 /nfs/dbraw/zinc/98/02/30/617980230.db2.gz ZANLDAMCPHWEFQ-GOSISDBHSA-N 3 1 321.553 3.305 20 0 DGADMP Cc1cc(F)ncc1CNCCC[N@H+](C)Cc1ccccc1 ZINC000892462969 618071755 /nfs/dbraw/zinc/07/17/55/618071755.db2.gz YHEXFSVROMUWPD-UHFFFAOYSA-N 2 1 301.409 3.141 20 0 DGADMP CC(C)(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000926688952 618088735 /nfs/dbraw/zinc/08/87/35/618088735.db2.gz HZMDWTCBDJCFCQ-RBUKOAKNSA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cn1 ZINC000892532506 618101218 /nfs/dbraw/zinc/10/12/18/618101218.db2.gz OYACNTUYQOTCIN-UHFFFAOYSA-N 2 1 303.494 3.490 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892589269 618114201 /nfs/dbraw/zinc/11/42/01/618114201.db2.gz NHRAUTJQEZBIHW-KBPBESRZSA-N 2 1 322.522 3.263 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000892608204 618117748 /nfs/dbraw/zinc/11/77/48/618117748.db2.gz NQVRTNIGCWUJCV-UHDQLFAASA-N 2 1 306.400 3.427 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)nc3c2CCCC3)C1 ZINC000892668889 618131768 /nfs/dbraw/zinc/13/17/68/618131768.db2.gz TUDDYDJVSPYGHW-INIZCTEOSA-N 2 1 301.478 3.090 20 0 DGADMP CCn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c(C)n1 ZINC000892698075 618142026 /nfs/dbraw/zinc/14/20/26/618142026.db2.gz ZMUXZFIFVDFIOI-UHFFFAOYSA-N 2 1 314.477 3.341 20 0 DGADMP O[C@H](CN1CCCC1)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000920096532 620782921 /nfs/dbraw/zinc/78/29/21/620782921.db2.gz ZQXQAGVCGDWNGJ-NQIIRXRSSA-N 2 1 324.468 3.433 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000920096532 620782924 /nfs/dbraw/zinc/78/29/24/620782924.db2.gz ZQXQAGVCGDWNGJ-NQIIRXRSSA-N 2 1 324.468 3.433 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000920096532 620782926 /nfs/dbraw/zinc/78/29/26/620782926.db2.gz ZQXQAGVCGDWNGJ-NQIIRXRSSA-N 2 1 324.468 3.433 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000894479860 618349891 /nfs/dbraw/zinc/34/98/91/618349891.db2.gz UAMFEIPZUGZTNC-LJQANCHMSA-N 2 1 315.505 3.444 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccs1 ZINC000925506472 618431567 /nfs/dbraw/zinc/43/15/67/618431567.db2.gz RKYPJXUXIJRCFI-YESZJQIVSA-N 2 1 321.534 3.109 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(C)ccnc1N ZINC000894766915 618452729 /nfs/dbraw/zinc/45/27/29/618452729.db2.gz XBQGICDHEOWSBU-UHFFFAOYSA-N 2 1 312.461 3.056 20 0 DGADMP Cc1csc(CCCC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000925567813 618496073 /nfs/dbraw/zinc/49/60/73/618496073.db2.gz QFDNWLHALRIOCL-RHSMWYFYSA-N 2 1 303.475 3.452 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000925588502 618502054 /nfs/dbraw/zinc/50/20/54/618502054.db2.gz QOOSIPLYQYZZGA-APWZRJJASA-N 2 1 308.510 3.149 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCC(C)C)CC2)CC1 ZINC000894976144 618505944 /nfs/dbraw/zinc/50/59/44/618505944.db2.gz CSBPDZJOLZYESP-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925615254 618510131 /nfs/dbraw/zinc/51/01/31/618510131.db2.gz FUGXNWUENXBCHC-MISYRCLQSA-N 2 1 321.553 3.112 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925615254 618510135 /nfs/dbraw/zinc/51/01/35/618510135.db2.gz FUGXNWUENXBCHC-MISYRCLQSA-N 3 1 321.553 3.112 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925615254 618510138 /nfs/dbraw/zinc/51/01/38/618510138.db2.gz FUGXNWUENXBCHC-MISYRCLQSA-N 3 1 321.553 3.112 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(C)n1 ZINC000925627141 618514377 /nfs/dbraw/zinc/51/43/77/618514377.db2.gz UCQPURIPLBDPKE-FGTMMUONSA-N 2 1 318.509 3.248 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925661754 618522644 /nfs/dbraw/zinc/52/26/44/618522644.db2.gz WFXNOVZQZRHYJT-JKSUJKDBSA-N 2 1 307.869 3.301 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676578 618526821 /nfs/dbraw/zinc/52/68/21/618526821.db2.gz KGRVCLLZKCWWPZ-BLLLJJGKSA-N 2 1 323.362 3.321 20 0 DGADMP CCCSC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000895116102 618541043 /nfs/dbraw/zinc/54/10/43/618541043.db2.gz RDLCTFKYYMQTSI-JQHSSLGASA-N 2 1 306.519 3.453 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2ccccc2)[C@H](C)N)CC1 ZINC000925723306 618556749 /nfs/dbraw/zinc/55/67/49/618556749.db2.gz URNQZRXKBITFIS-LPHOPBHVSA-N 2 1 303.494 3.175 20 0 DGADMP Clc1cccc2c(CC[NH2+][C@H]3CC[NH2+]C34CCC4)c[nH]c21 ZINC000925725772 618563708 /nfs/dbraw/zinc/56/37/08/618563708.db2.gz WADQFMXKKHYZQO-HNNXBMFYSA-N 2 1 303.837 3.238 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)OC1 ZINC000925730310 618580864 /nfs/dbraw/zinc/58/08/64/618580864.db2.gz DSDJCCCDQGNKQD-RCCFBDPRSA-N 2 1 302.462 3.275 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CCCO3)CC1 ZINC000893854484 618666532 /nfs/dbraw/zinc/66/65/32/618666532.db2.gz AKPSUFHYXWAQAS-UHFFFAOYSA-N 2 1 300.446 3.072 20 0 DGADMP COCc1c(C)cc(C)c(C[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000893954603 618682794 /nfs/dbraw/zinc/68/27/94/618682794.db2.gz NIFJSOYTADPLPD-UHFFFAOYSA-N 2 1 304.478 3.284 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044867 618698472 /nfs/dbraw/zinc/69/84/72/618698472.db2.gz LVIRMHCQOLLNAX-NVXWUHKLSA-N 2 1 320.477 3.317 20 0 DGADMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000894112996 618713584 /nfs/dbraw/zinc/71/35/84/618713584.db2.gz LOYLYGHWXSXZNO-UHFFFAOYSA-N 2 1 315.417 3.201 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894212092 618731612 /nfs/dbraw/zinc/73/16/12/618731612.db2.gz WNSBADFLNSGEKO-ZDUSSCGKSA-N 2 1 304.459 3.428 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000894260205 618743887 /nfs/dbraw/zinc/74/38/87/618743887.db2.gz LPJRCFZGCFVDQJ-CRAIPNDOSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959224 618749722 /nfs/dbraw/zinc/74/97/22/618749722.db2.gz JCZPCRQMORTXTF-WMZOPIPTSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959224 618749723 /nfs/dbraw/zinc/74/97/23/618749723.db2.gz JCZPCRQMORTXTF-WMZOPIPTSA-N 2 1 318.509 3.454 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000925021984 618767014 /nfs/dbraw/zinc/76/70/14/618767014.db2.gz DJRSEURHRLOOEB-OALUTQOASA-N 2 1 308.510 3.172 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000925021983 618767020 /nfs/dbraw/zinc/76/70/20/618767020.db2.gz DJRSEURHRLOOEB-MOPGFXCFSA-N 2 1 308.510 3.172 20 0 DGADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000894376238 618774254 /nfs/dbraw/zinc/77/42/54/618774254.db2.gz RDFULIDDHLUXLO-MOPGFXCFSA-N 2 1 307.526 3.129 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000895378956 618776004 /nfs/dbraw/zinc/77/60/04/618776004.db2.gz KFOGAWVCSXAFHI-DNVCBOLYSA-N 2 1 312.461 3.182 20 0 DGADMP C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CCN1c1cc[nH+]cc1 ZINC000895558268 618799110 /nfs/dbraw/zinc/79/91/10/618799110.db2.gz UTLZEEYBAABSQK-MRXNPFEDSA-N 2 1 321.424 3.068 20 0 DGADMP CN(c1ccccc1C[N@H+]1CC[C@H](CF)C1)C1CC[NH+](C)CC1 ZINC000895571879 618799814 /nfs/dbraw/zinc/79/98/14/618799814.db2.gz BFLBFQVXACSNGT-MRXNPFEDSA-N 2 1 319.468 3.008 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1[nH]nc2ccccc21 ZINC000895684163 618818295 /nfs/dbraw/zinc/81/82/95/618818295.db2.gz AJKHDMSSQDFLAI-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1n[nH]c2ccccc21 ZINC000895684163 618818296 /nfs/dbraw/zinc/81/82/96/618818296.db2.gz AJKHDMSSQDFLAI-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1n[nH]c2ccccc21 ZINC000895684163 618818297 /nfs/dbraw/zinc/81/82/97/618818297.db2.gz AJKHDMSSQDFLAI-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP C[C@]1(Br)C[C@@H]1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000895735912 618826291 /nfs/dbraw/zinc/82/62/91/618826291.db2.gz IDNOQWYZJGXASL-HIFRSBDPSA-N 2 1 315.299 3.110 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccnn1C1CCC1 ZINC000896029014 618864860 /nfs/dbraw/zinc/86/48/60/618864860.db2.gz ZTWCQHWRHVVMGP-UHFFFAOYSA-N 2 1 304.482 3.306 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@]1(C)Br ZINC000896028657 618864874 /nfs/dbraw/zinc/86/48/74/618864874.db2.gz UUWFEQRCDAEEFG-GJZGRUSLSA-N 2 1 317.315 3.358 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000896516311 618923801 /nfs/dbraw/zinc/92/38/01/618923801.db2.gz DEPVOPXONXLMEU-HNNXBMFYSA-N 2 1 319.518 3.153 20 0 DGADMP C[NH+](C)CC[C@H](NC[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 ZINC000896722014 618948161 /nfs/dbraw/zinc/94/81/61/618948161.db2.gz XJDXMBPLQFEVPT-ZCNNSNEGSA-N 2 1 309.457 3.468 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 ZINC000896722014 618948162 /nfs/dbraw/zinc/94/81/62/618948162.db2.gz XJDXMBPLQFEVPT-ZCNNSNEGSA-N 2 1 309.457 3.468 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](CCN(C)C)c2cccnc2)CS1 ZINC000896720964 618948425 /nfs/dbraw/zinc/94/84/25/618948425.db2.gz KIROQTPZSQQDKI-IKGGRYGDSA-N 2 1 307.507 3.194 20 0 DGADMP C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925221214 619079842 /nfs/dbraw/zinc/07/98/42/619079842.db2.gz KWFWDZUPTCVLPE-ZYSHUDEJSA-N 2 1 303.494 3.272 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000925293472 619145544 /nfs/dbraw/zinc/14/55/44/619145544.db2.gz BGRVCAHBEUUIOR-GOSISDBHSA-N 2 1 324.896 3.474 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@H+]2C2CC2)cc1 ZINC000897809602 619184334 /nfs/dbraw/zinc/18/43/34/619184334.db2.gz KYDUKRZIFPNFNT-YRIXBNQGSA-N 2 1 324.468 3.120 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@@H+]2C2CC2)cc1 ZINC000897809602 619184337 /nfs/dbraw/zinc/18/43/37/619184337.db2.gz KYDUKRZIFPNFNT-YRIXBNQGSA-N 2 1 324.468 3.120 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981376 619202845 /nfs/dbraw/zinc/20/28/45/619202845.db2.gz KUWBOAOTDJKTRX-HNNXBMFYSA-N 2 1 300.446 3.159 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181850 619223691 /nfs/dbraw/zinc/22/36/91/619223691.db2.gz PFPKBPBLEULUNS-YOEHRIQHSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181850 619223693 /nfs/dbraw/zinc/22/36/93/619223693.db2.gz PFPKBPBLEULUNS-YOEHRIQHSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181850 619223696 /nfs/dbraw/zinc/22/36/96/619223696.db2.gz PFPKBPBLEULUNS-YOEHRIQHSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181850 619223698 /nfs/dbraw/zinc/22/36/98/619223698.db2.gz PFPKBPBLEULUNS-YOEHRIQHSA-N 2 1 304.482 3.207 20 0 DGADMP CCO[C@@H](C[NH2+][C@H](C)CCc1c[nH]c2ccccc12)C[NH+](C)C ZINC000926957356 619252374 /nfs/dbraw/zinc/25/23/74/619252374.db2.gz AFAOAWBJVZWCDE-WBVHZDCISA-N 2 1 317.477 3.045 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1CC1CCC1 ZINC000924713656 619263934 /nfs/dbraw/zinc/26/39/34/619263934.db2.gz RXLNWBDBNCNMAG-OAHLLOKOSA-N 2 1 316.493 3.208 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000898523133 619284056 /nfs/dbraw/zinc/28/40/56/619284056.db2.gz ZSZVFBVKAPLJPF-ZGXWSNOMSA-N 2 1 314.473 3.056 20 0 DGADMP Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000898522256 619284190 /nfs/dbraw/zinc/28/41/90/619284190.db2.gz KVIPVIOEVJLQPL-QHAWAJNXSA-N 2 1 323.484 3.415 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)c2cccc3ccccc32)CC1 ZINC000899909895 619382497 /nfs/dbraw/zinc/38/24/97/619382497.db2.gz HFJXRCGNQRFMAO-IBGZPJMESA-N 2 1 310.441 3.043 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000924769962 619391086 /nfs/dbraw/zinc/39/10/86/619391086.db2.gz MTUXNKBPFHURJX-PKRLLGJHSA-N 2 1 308.510 3.148 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000924769962 619391088 /nfs/dbraw/zinc/39/10/88/619391088.db2.gz MTUXNKBPFHURJX-PKRLLGJHSA-N 2 1 308.510 3.148 20 0 DGADMP CCc1cc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)on1 ZINC000902325881 619620868 /nfs/dbraw/zinc/62/08/68/619620868.db2.gz AIXPYQHCLFAZLA-QGZVFWFLSA-N 2 1 323.387 3.475 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000902406631 619627886 /nfs/dbraw/zinc/62/78/86/619627886.db2.gz OPPUCVLDXOJZGE-LBPRGKRZSA-N 2 1 316.367 3.295 20 0 DGADMP CCc1ncc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)o1 ZINC000902389445 619630066 /nfs/dbraw/zinc/63/00/66/619630066.db2.gz XVISVMBKTHGQGF-MRXNPFEDSA-N 2 1 323.387 3.475 20 0 DGADMP C([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000902742419 619668964 /nfs/dbraw/zinc/66/89/64/619668964.db2.gz PPSBFDFOWHWURX-JQHSSLGASA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753487 619670394 /nfs/dbraw/zinc/67/03/94/619670394.db2.gz QENCXEUHRDDGLY-YUTCNCBUSA-N 2 1 313.367 3.378 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902778835 619674516 /nfs/dbraw/zinc/67/45/16/619674516.db2.gz CLPFARITHACCER-QRQLOZEOSA-N 2 1 308.510 3.293 20 0 DGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793622 619677457 /nfs/dbraw/zinc/67/74/57/619677457.db2.gz LFPIGEWGQAQLOY-LOXVXLSQSA-N 2 1 306.494 3.044 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902793622 619677459 /nfs/dbraw/zinc/67/74/59/619677459.db2.gz LFPIGEWGQAQLOY-LOXVXLSQSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1COc2ccccc2C1 ZINC000902822009 619679582 /nfs/dbraw/zinc/67/95/82/619679582.db2.gz OPKQQWSQWVOCBW-IVKSPPNPSA-N 2 1 314.473 3.231 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1COc2ccccc2C1 ZINC000902822009 619679583 /nfs/dbraw/zinc/67/95/83/619679583.db2.gz OPKQQWSQWVOCBW-IVKSPPNPSA-N 2 1 314.473 3.231 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C1CC1 ZINC000903017624 619702305 /nfs/dbraw/zinc/70/23/05/619702305.db2.gz WNKDQGVXVFFKAT-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055693 619706852 /nfs/dbraw/zinc/70/68/52/619706852.db2.gz JPQJQZDPSYDRDN-VBZNHOPUSA-N 3 1 307.526 3.244 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074921 619711278 /nfs/dbraw/zinc/71/12/78/619711278.db2.gz PTXRPWUXYIFWBE-DBKFYXDTSA-N 2 1 306.494 3.329 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000903068513 619714641 /nfs/dbraw/zinc/71/46/41/619714641.db2.gz GVBKTQIDERVYSX-ZOCIIQOWSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)c1 ZINC000903068513 619714643 /nfs/dbraw/zinc/71/46/43/619714643.db2.gz GVBKTQIDERVYSX-ZOCIIQOWSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000903068513 619714644 /nfs/dbraw/zinc/71/46/44/619714644.db2.gz GVBKTQIDERVYSX-ZOCIIQOWSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000903068513 619714646 /nfs/dbraw/zinc/71/46/46/619714646.db2.gz GVBKTQIDERVYSX-ZOCIIQOWSA-N 2 1 316.445 3.027 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903072299 619715579 /nfs/dbraw/zinc/71/55/79/619715579.db2.gz IGKXXCLTZVNAJU-GPMSIDNRSA-N 2 1 301.478 3.490 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000903097797 619715772 /nfs/dbraw/zinc/71/57/72/619715772.db2.gz JRTYVNMRRLEXBE-AYOQOUSVSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000903099490 619716264 /nfs/dbraw/zinc/71/62/64/619716264.db2.gz ITWODTUORZRZFE-JYYAWHABSA-N 2 1 308.491 3.288 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000903099490 619716265 /nfs/dbraw/zinc/71/62/65/619716265.db2.gz ITWODTUORZRZFE-JYYAWHABSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903092955 619719200 /nfs/dbraw/zinc/71/92/00/619719200.db2.gz NMSOUVLWLJZYRY-HNAYVOBHSA-N 2 1 320.452 3.225 20 0 DGADMP C[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113697 619719952 /nfs/dbraw/zinc/71/99/52/619719952.db2.gz QHOFFZTWMMLQCI-BUHWKMJWSA-N 2 1 314.473 3.246 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(F)c1 ZINC000903124998 619722237 /nfs/dbraw/zinc/72/22/37/619722237.db2.gz JJRYCZJBYQRHQX-VHRNVKJDSA-N 2 1 304.409 3.082 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(F)c1 ZINC000903124998 619722240 /nfs/dbraw/zinc/72/22/40/619722240.db2.gz JJRYCZJBYQRHQX-VHRNVKJDSA-N 2 1 304.409 3.082 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[C@@H]3SCCS[C@H]13)C2 ZINC000903132362 619723334 /nfs/dbraw/zinc/72/33/34/619723334.db2.gz YQAJUGSQTLNACA-KZFFOPRXSA-N 2 1 324.559 3.113 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)[C@H](C)C1 ZINC000903162682 619728075 /nfs/dbraw/zinc/72/80/75/619728075.db2.gz MRLFEQVBOSUGLO-YDZRNGNQSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H]1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H](C)O1 ZINC000903165628 619728368 /nfs/dbraw/zinc/72/83/68/619728368.db2.gz MRZXEFQTRKJAJT-YTYNEHSKSA-N 2 1 306.494 3.328 20 0 DGADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1(Cl)Cl ZINC000903179675 619731494 /nfs/dbraw/zinc/73/14/94/619731494.db2.gz SLURAZQQIQBWTM-VWPFFFCUSA-N 2 1 303.277 3.318 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3ncccc3c2)[C@@H]2CCC[C@H]21 ZINC000903191848 619733247 /nfs/dbraw/zinc/73/32/47/619733247.db2.gz BWVBCAGVFYBJHF-YSIASYRMSA-N 2 1 309.457 3.240 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC2(CCC2)CO1 ZINC000903219865 619740921 /nfs/dbraw/zinc/74/09/21/619740921.db2.gz KDLMBAYUIDQIRQ-ONQFOCNCSA-N 2 1 304.478 3.083 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCC2(CCC2)O1 ZINC000903227898 619744138 /nfs/dbraw/zinc/74/41/38/619744138.db2.gz ROZQIBKTQOBCHB-NXCDMZCRSA-N 2 1 304.478 3.226 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C2CC2)cc1 ZINC000903426717 619774665 /nfs/dbraw/zinc/77/46/65/619774665.db2.gz LRGIDDQFLAEFAV-KYJSFNMBSA-N 2 1 302.462 3.423 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000903441300 619775837 /nfs/dbraw/zinc/77/58/37/619775837.db2.gz MDTVFLBJOVSNJP-KFWWJZLASA-N 2 1 315.486 3.331 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ncc[nH]1 ZINC000903455646 619779654 /nfs/dbraw/zinc/77/96/54/619779654.db2.gz OGIWJQZEVGBDPA-WZGPROSRSA-N 2 1 324.472 3.361 20 0 DGADMP FC1(F)[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)[C@@H]1c1ccccc1 ZINC000903481416 619780875 /nfs/dbraw/zinc/78/08/75/619780875.db2.gz BHWQLWMRMAPENM-XHSDSOJGSA-N 2 1 306.400 3.300 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1CC[NH3+] ZINC000903496693 619782238 /nfs/dbraw/zinc/78/22/38/619782238.db2.gz YZMBMRFYTHCDKB-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000903491164 619782249 /nfs/dbraw/zinc/78/22/49/619782249.db2.gz YALHHASMWLIPLY-QFUCXCTJSA-N 2 1 322.452 3.011 20 0 DGADMP C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000903566709 619783795 /nfs/dbraw/zinc/78/37/95/619783795.db2.gz YUOKTVRPZJYBEI-ZFWWWQNUSA-N 2 1 314.433 3.032 20 0 DGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718669 619803007 /nfs/dbraw/zinc/80/30/07/619803007.db2.gz QNGZTDHJISPKCV-AHRSYUTCSA-N 2 1 314.473 3.056 20 0 DGADMP Cc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1Br ZINC000903717340 619803209 /nfs/dbraw/zinc/80/32/09/619803209.db2.gz NVWRCGJPJRFREO-UHFFFAOYSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717813 619803232 /nfs/dbraw/zinc/80/32/32/619803232.db2.gz DOADIWQTAMVSHH-FQEVSTJZSA-N 2 1 324.468 3.430 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c(C)c1 ZINC000903725080 619805182 /nfs/dbraw/zinc/80/51/82/619805182.db2.gz WCQWKLFHSBNFGY-LNLFQRSKSA-N 2 1 302.462 3.065 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729668 619805304 /nfs/dbraw/zinc/80/53/04/619805304.db2.gz QIWHKDLRPJGCIV-IEBWSBKVSA-N 2 1 314.473 3.155 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903730092 619805463 /nfs/dbraw/zinc/80/54/63/619805463.db2.gz UDOKQHLUBGKWJR-HSALFYBXSA-N 2 1 314.473 3.291 20 0 DGADMP CCC[N@H+](Cc1ccccc1F)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765308 619809365 /nfs/dbraw/zinc/80/93/65/619809365.db2.gz GJNODDABZFAQBV-QGZVFWFLSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@@H]1CCC[NH3+] ZINC000903766382 619809667 /nfs/dbraw/zinc/80/96/67/619809667.db2.gz PVZKDWLTLAFYOJ-LXTVHRRPSA-N 2 1 322.415 3.326 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000903777705 619812312 /nfs/dbraw/zinc/81/23/12/619812312.db2.gz CPFBDDCOSHBVRV-ROUUACIJSA-N 2 1 306.494 3.047 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777462 619812410 /nfs/dbraw/zinc/81/24/10/619812410.db2.gz BJZXTTCBXKHMOQ-JQFCIGGWSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903784240 619813330 /nfs/dbraw/zinc/81/33/30/619813330.db2.gz MFYACKHLNMRXHI-JKSUJKDBSA-N 2 1 307.507 3.096 20 0 DGADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903784191 619813380 /nfs/dbraw/zinc/81/33/80/619813380.db2.gz KYYBLQGJAUDBNU-OALUTQOASA-N 2 1 314.473 3.156 20 0 DGADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903783724 619813392 /nfs/dbraw/zinc/81/33/92/619813392.db2.gz BAZJKBPEJMPTAK-FCEWJHQRSA-N 2 1 312.457 3.079 20 0 DGADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903785953 619813473 /nfs/dbraw/zinc/81/34/73/619813473.db2.gz CMOIQLUPTLOICY-HUUCEWRRSA-N 2 1 319.518 3.201 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCC2SCCS2)CCC1 ZINC000903812122 619818470 /nfs/dbraw/zinc/81/84/70/619818470.db2.gz QIVGYQUDIVOWOB-CYBMUJFWSA-N 2 1 300.537 3.166 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])Cc1cc(-c2ccccc2)n[nH]1 ZINC000903830966 619820976 /nfs/dbraw/zinc/82/09/76/619820976.db2.gz CPSOIXXVJUICII-UHFFFAOYSA-N 2 1 300.450 3.418 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889351 619826154 /nfs/dbraw/zinc/82/61/54/619826154.db2.gz RGDKOPHMXAHLBQ-WSCSCYJOSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889351 619826156 /nfs/dbraw/zinc/82/61/56/619826156.db2.gz RGDKOPHMXAHLBQ-WSCSCYJOSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889351 619826158 /nfs/dbraw/zinc/82/61/58/619826158.db2.gz RGDKOPHMXAHLBQ-WSCSCYJOSA-N 3 1 319.537 3.103 20 0 DGADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccc(F)cc2)O1 ZINC000903895198 619829796 /nfs/dbraw/zinc/82/97/96/619829796.db2.gz LJJWWMVGKYISLL-ACQHXJTMSA-N 2 1 318.436 3.118 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000903894813 619829921 /nfs/dbraw/zinc/82/99/21/619829921.db2.gz FFMHKKCGKACQFN-SNGLOFTFSA-N 2 1 314.473 3.287 20 0 DGADMP [NH3+][C@H](C[NH2+]CCOc1ccccc1-c1ccccc1)CC(F)F ZINC000903923660 619834717 /nfs/dbraw/zinc/83/47/17/619834717.db2.gz ZSMFZPHACLNXLL-HNNXBMFYSA-N 2 1 320.383 3.305 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000903937329 619838118 /nfs/dbraw/zinc/83/81/18/619838118.db2.gz IGNVPSJTMLZUQM-AEOXZHQRSA-N 3 1 319.537 3.137 20 0 DGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000903949142 619844597 /nfs/dbraw/zinc/84/45/97/619844597.db2.gz YXJCJCDNLFVOAR-SCDLOJPASA-N 2 1 306.494 3.046 20 0 DGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903953696 619845880 /nfs/dbraw/zinc/84/58/80/619845880.db2.gz JDVMZFWMFRVQHB-OEWLLCOZSA-N 2 1 302.384 3.181 20 0 DGADMP c1c(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000903979160 619848572 /nfs/dbraw/zinc/84/85/72/619848572.db2.gz XFLKUEPCZUPIBB-APWZRJJASA-N 2 1 310.466 3.167 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)C[C@H]1CC[NH3+] ZINC000903977554 619848607 /nfs/dbraw/zinc/84/86/07/619848607.db2.gz SYHXCZUYINSEGJ-VXGBXAGGSA-N 2 1 307.488 3.288 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1OC ZINC000903977100 619848727 /nfs/dbraw/zinc/84/87/27/619848727.db2.gz IXNDFXOAWUISRP-HLLBOEOZSA-N 2 1 320.477 3.289 20 0 DGADMP c1c(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000903979162 619848799 /nfs/dbraw/zinc/84/87/99/619848799.db2.gz XFLKUEPCZUPIBB-QFBILLFUSA-N 2 1 310.466 3.167 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1Cl ZINC000903977130 619848872 /nfs/dbraw/zinc/84/88/72/619848872.db2.gz KAKWHSZUUKWQJN-TZMCWYRMSA-N 2 1 312.889 3.062 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000904309142 619911792 /nfs/dbraw/zinc/91/17/92/619911792.db2.gz APTNXRWPRUTZMB-BYCMXARLSA-N 2 1 309.251 3.323 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904313675 619912169 /nfs/dbraw/zinc/91/21/69/619912169.db2.gz XROYWJOZRFABCP-PKOBYXMFSA-N 2 1 302.462 3.092 20 0 DGADMP COc1cc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1SC ZINC000904314081 619912182 /nfs/dbraw/zinc/91/21/82/619912182.db2.gz RNTPQJRJLBJEMG-QGZVFWFLSA-N 2 1 308.491 3.239 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1SC ZINC000904314081 619912184 /nfs/dbraw/zinc/91/21/84/619912184.db2.gz RNTPQJRJLBJEMG-QGZVFWFLSA-N 2 1 308.491 3.239 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000904315427 619912719 /nfs/dbraw/zinc/91/27/19/619912719.db2.gz CESZRZFSODYNOU-IFUGULHKSA-N 2 1 315.244 3.104 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000904315427 619912721 /nfs/dbraw/zinc/91/27/21/619912721.db2.gz CESZRZFSODYNOU-IFUGULHKSA-N 2 1 315.244 3.104 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000904327972 619914014 /nfs/dbraw/zinc/91/40/14/619914014.db2.gz KOAYZSYHVAOGGG-FZKCQIBNSA-N 2 1 308.491 3.154 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342283 619914723 /nfs/dbraw/zinc/91/47/23/619914723.db2.gz BSRSAPUFADKFNR-SJORKVTESA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342283 619914725 /nfs/dbraw/zinc/91/47/25/619914725.db2.gz BSRSAPUFADKFNR-SJORKVTESA-N 2 1 310.869 3.349 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904378428 619918292 /nfs/dbraw/zinc/91/82/92/619918292.db2.gz CNHFDYVWQXBHQV-OALUTQOASA-N 2 1 302.462 3.048 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904386142 619919135 /nfs/dbraw/zinc/91/91/35/619919135.db2.gz QGOZWSLHRWIZOJ-DOTOQJQBSA-N 2 1 307.507 3.096 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC000904410384 619920342 /nfs/dbraw/zinc/92/03/42/619920342.db2.gz CUIMYQJDSXGHFI-NEPJUHHUSA-N 2 1 302.340 3.002 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000904412496 619921134 /nfs/dbraw/zinc/92/11/34/619921134.db2.gz VABYPUCHNVLHCU-OCCSQVGLSA-N 2 1 312.889 3.062 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000904449833 619923589 /nfs/dbraw/zinc/92/35/89/619923589.db2.gz LRUPSSARIMRYDI-UHFFFAOYSA-N 2 1 324.453 3.182 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904598070 619935421 /nfs/dbraw/zinc/93/54/21/619935421.db2.gz MUHJISNWUPAUAH-CQSZACIVSA-N 2 1 320.481 3.122 20 0 DGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc(C[NH2+]C)nc2)cc1 ZINC000906159767 620061508 /nfs/dbraw/zinc/06/15/08/620061508.db2.gz UGPXPSFVXGUVAE-SFHVURJKSA-N 2 1 310.445 3.237 20 0 DGADMP c1cc(-c2cncc([C@@H]3CCC[NH2+]3)c2)ccc1C[NH+]1CCOCC1 ZINC000906171124 620064801 /nfs/dbraw/zinc/06/48/01/620064801.db2.gz OTJUQGAOPVOGJL-FQEVSTJZSA-N 2 1 323.440 3.005 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@H]2CCC[C@@H]21 ZINC000906524570 620103020 /nfs/dbraw/zinc/10/30/20/620103020.db2.gz FNVBLMPYBLKIOM-SQNIBIBYSA-N 2 1 311.429 3.304 20 0 DGADMP C[C@@]1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900114 620458191 /nfs/dbraw/zinc/45/81/91/620458191.db2.gz NNOVXDJYKDLLTA-KGLIPLIRSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@@]1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900114 620458193 /nfs/dbraw/zinc/45/81/93/620458193.db2.gz NNOVXDJYKDLLTA-KGLIPLIRSA-N 2 1 305.293 3.378 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000840746750 620461271 /nfs/dbraw/zinc/46/12/71/620461271.db2.gz XFWSTDDDWGCWLJ-NRFANRHFSA-N 2 1 324.468 3.283 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000914435795 620534926 /nfs/dbraw/zinc/53/49/26/620534926.db2.gz KJEQYLNCCSFEAU-XLNTUCKNSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000914435795 620534929 /nfs/dbraw/zinc/53/49/29/620534929.db2.gz KJEQYLNCCSFEAU-XLNTUCKNSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921537634 620903893 /nfs/dbraw/zinc/90/38/93/620903893.db2.gz YPADIWRGSAYNPC-CQSZACIVSA-N 2 1 317.433 3.135 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921537751 620903934 /nfs/dbraw/zinc/90/39/34/620903934.db2.gz YYWIFNWTVIMHMG-MRXNPFEDSA-N 2 1 304.482 3.210 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921689354 620934602 /nfs/dbraw/zinc/93/46/02/620934602.db2.gz SKXPLGKFNHLQBG-INIZCTEOSA-N 2 1 301.478 3.170 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921689354 620934606 /nfs/dbraw/zinc/93/46/06/620934606.db2.gz SKXPLGKFNHLQBG-INIZCTEOSA-N 2 1 301.478 3.170 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921714869 620939764 /nfs/dbraw/zinc/93/97/64/620939764.db2.gz DEDVWSSAMLVBMR-KRWDZBQOSA-N 2 1 311.429 3.305 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC(C)C)C2)ccn1 ZINC000856550350 621004016 /nfs/dbraw/zinc/00/40/16/621004016.db2.gz CCLZECCZMHOYCS-IBGZPJMESA-N 2 1 319.493 3.423 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC(C)C)C2)ccn1 ZINC000856550350 621004019 /nfs/dbraw/zinc/00/40/19/621004019.db2.gz CCLZECCZMHOYCS-IBGZPJMESA-N 2 1 319.493 3.423 20 0 DGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558951 621004497 /nfs/dbraw/zinc/00/44/97/621004497.db2.gz LZEKWUBWHSCMOG-VQIMIIECSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558951 621004500 /nfs/dbraw/zinc/00/45/00/621004500.db2.gz LZEKWUBWHSCMOG-VQIMIIECSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558951 621004502 /nfs/dbraw/zinc/00/45/02/621004502.db2.gz LZEKWUBWHSCMOG-VQIMIIECSA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856551799 621005023 /nfs/dbraw/zinc/00/50/23/621005023.db2.gz ZVTJJMCXOGJGNT-MAUKXSAKSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551799 621005025 /nfs/dbraw/zinc/00/50/25/621005025.db2.gz ZVTJJMCXOGJGNT-MAUKXSAKSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551799 621005028 /nfs/dbraw/zinc/00/50/28/621005028.db2.gz ZVTJJMCXOGJGNT-MAUKXSAKSA-N 2 1 305.466 3.033 20 0 DGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCCCCCC2)CC1 ZINC000114456019 621007400 /nfs/dbraw/zinc/00/74/00/621007400.db2.gz CALUHWTWJGHRNT-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCCC1)C2 ZINC000922386975 621032551 /nfs/dbraw/zinc/03/25/51/621032551.db2.gz ICMQVHPMWUQLTI-YRXWBPOGSA-N 2 1 308.510 3.026 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3sccc3C)C2)[C@@H]1C(C)C ZINC000922393711 621032914 /nfs/dbraw/zinc/03/29/14/621032914.db2.gz SSPFCFSKCATATA-LMSBXDPUSA-N 2 1 322.518 3.016 20 0 DGADMP CC(C)(C)c1coc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922845113 621108455 /nfs/dbraw/zinc/10/84/55/621108455.db2.gz BRSZVZBYJPRJTM-UHFFFAOYSA-N 2 1 305.466 3.469 20 0 DGADMP c1[nH]nc2c1CCC[C@H]2[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000857853137 621123138 /nfs/dbraw/zinc/12/31/38/621123138.db2.gz LVFPTARGQNXZBZ-QGZVFWFLSA-N 2 1 304.482 3.423 20 0 DGADMP CCC(F)(F)C(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858270670 621170830 /nfs/dbraw/zinc/17/08/30/621170830.db2.gz IXMVLPRHBGQXFP-UHFFFAOYSA-N 2 1 305.438 3.366 20 0 DGADMP C(C[NH+]1CCN(CC2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923317633 621174893 /nfs/dbraw/zinc/17/48/93/621174893.db2.gz AOSKWMMBQBSWCC-IHWFROFDSA-N 2 1 319.537 3.105 20 0 DGADMP Cc1cc(C)n([C@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923323652 621176353 /nfs/dbraw/zinc/17/63/53/621176353.db2.gz WHYRGKCYPFNFQP-IPQPSQTFSA-N 2 1 316.493 3.058 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC000923386500 621180788 /nfs/dbraw/zinc/18/07/88/621180788.db2.gz CBQDMTQXGUBKEB-KSZLIROESA-N 2 1 306.494 3.175 20 0 DGADMP C(C[N@H+]1CCCC[C@H](C2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923424760 621183137 /nfs/dbraw/zinc/18/31/37/621183137.db2.gz CBWYRYGOZLEBHE-BRLUZMBRSA-N 2 1 320.521 3.436 20 0 DGADMP C(C[NH2+]C1CC1)C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000923444275 621184400 /nfs/dbraw/zinc/18/44/00/621184400.db2.gz YCPXPPUHMPOFGH-UHFFFAOYSA-N 2 1 319.518 3.028 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000923480602 621187343 /nfs/dbraw/zinc/18/73/43/621187343.db2.gz JOAOYCGUZJXWHF-NSHDSACASA-N 2 1 323.412 3.259 20 0 DGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484083 621187719 /nfs/dbraw/zinc/18/77/19/621187719.db2.gz VCIUASMLMCILNE-NWDGAFQWSA-N 2 1 308.376 3.163 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502055 621187883 /nfs/dbraw/zinc/18/78/83/621187883.db2.gz XAPSKIIXEYNCLT-JYJNAYRXSA-N 2 1 317.477 3.054 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492233 621188139 /nfs/dbraw/zinc/18/81/39/621188139.db2.gz APRYOURXIFKYSH-YRGRVCCFSA-N 2 1 311.267 3.427 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)o1 ZINC000923494849 621188353 /nfs/dbraw/zinc/18/83/53/621188353.db2.gz PJFRDJQLHITDRC-AAEUAGOBSA-N 2 1 305.447 3.128 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@@H]1C[NH3+] ZINC000923502742 621188533 /nfs/dbraw/zinc/18/85/33/621188533.db2.gz YZJLRRRTRZFLHI-CHWSQXEVSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499763 621189109 /nfs/dbraw/zinc/18/91/09/621189109.db2.gz TYPUPUUSIOFBFM-OLZOCXBDSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500283 621189124 /nfs/dbraw/zinc/18/91/24/621189124.db2.gz WGGHAEZUZNHBHB-YRGRVCCFSA-N 2 1 311.267 3.427 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530342 621191958 /nfs/dbraw/zinc/19/19/58/621191958.db2.gz IAOKTEOIEZPOLH-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530342 621191962 /nfs/dbraw/zinc/19/19/62/621191962.db2.gz IAOKTEOIEZPOLH-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840808633 621207859 /nfs/dbraw/zinc/20/78/59/621207859.db2.gz NFCFYHSPKWMHSO-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP Cc1noc(C)c1CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213013 621261341 /nfs/dbraw/zinc/26/13/41/621261341.db2.gz SMXXPBFAODVLNU-UHFFFAOYSA-N 2 1 301.434 3.028 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC000859290666 621267351 /nfs/dbraw/zinc/26/73/51/621267351.db2.gz AUDLJQVUGXOKRD-UHFFFAOYSA-N 2 1 308.853 3.353 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000839181009 621343774 /nfs/dbraw/zinc/34/37/74/621343774.db2.gz GBPPKAOXARXUIG-NSHDSACASA-N 2 1 302.249 3.210 20 0 DGADMP C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000753849186 621468465 /nfs/dbraw/zinc/46/84/65/621468465.db2.gz PPVKSBFIHSWTKO-OBNAIBOFSA-N 2 1 320.864 3.196 20 0 DGADMP C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000753849186 621468468 /nfs/dbraw/zinc/46/84/68/621468468.db2.gz PPVKSBFIHSWTKO-OBNAIBOFSA-N 2 1 320.864 3.196 20 0 DGADMP Cc1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccnc1F ZINC000862284180 621571903 /nfs/dbraw/zinc/57/19/03/621571903.db2.gz WXHCEZIOXRWRTE-UHFFFAOYSA-N 2 1 305.441 3.416 20 0 DGADMP C[NH+](C)CCOc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000862392203 621583242 /nfs/dbraw/zinc/58/32/42/621583242.db2.gz HMNPAYKXVBMOLK-OAHLLOKOSA-N 2 1 323.456 3.051 20 0 DGADMP C[NH+](C)CCOc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000862392201 621583546 /nfs/dbraw/zinc/58/35/46/621583546.db2.gz HMNPAYKXVBMOLK-HNNXBMFYSA-N 2 1 323.456 3.051 20 0 DGADMP C[C@H]1CCOCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000839544659 621693362 /nfs/dbraw/zinc/69/33/62/621693362.db2.gz XAEYQWKXJLVINU-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)sc2c1C[NH2+]CC2 ZINC000864050057 621732312 /nfs/dbraw/zinc/73/23/12/621732312.db2.gz SIXNABFCGKGSJZ-YOEHRIQHSA-N 2 1 320.502 3.175 20 0 DGADMP CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000759339083 621847028 /nfs/dbraw/zinc/84/70/28/621847028.db2.gz UHLGAZAVIDCXAQ-PMACEKPBSA-N 2 1 316.489 3.404 20 0 DGADMP CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000759339083 621847030 /nfs/dbraw/zinc/84/70/30/621847030.db2.gz UHLGAZAVIDCXAQ-PMACEKPBSA-N 2 1 316.489 3.404 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865414690 621915044 /nfs/dbraw/zinc/91/50/44/621915044.db2.gz GXBNVHRLQGMJDA-ZDUSSCGKSA-N 2 1 313.848 3.476 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000866488879 622126293 /nfs/dbraw/zinc/12/62/93/622126293.db2.gz WKLNEWMNWXOAEG-BZZMCLGOSA-N 2 1 304.503 3.381 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866609441 622146165 /nfs/dbraw/zinc/14/61/65/622146165.db2.gz SBCOZGFFKWRVAB-LJQANCHMSA-N 2 1 301.478 3.257 20 0 DGADMP c1cncc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCCC2)c1 ZINC000866609364 622146360 /nfs/dbraw/zinc/14/63/60/622146360.db2.gz METSMYNRSATZJS-FQEVSTJZSA-N 2 1 313.489 3.399 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000866634211 622150915 /nfs/dbraw/zinc/15/09/15/622150915.db2.gz CAKPGQWGDYBWJK-GRDNDAEWSA-N 2 1 301.434 3.381 20 0 DGADMP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705022 622158011 /nfs/dbraw/zinc/15/80/11/622158011.db2.gz RUWNDOPQJBEUGZ-KXBFYZLASA-N 2 1 317.477 3.019 20 0 DGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705022 622158013 /nfs/dbraw/zinc/15/80/13/622158013.db2.gz RUWNDOPQJBEUGZ-KXBFYZLASA-N 2 1 317.477 3.019 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000866704104 622158156 /nfs/dbraw/zinc/15/81/56/622158156.db2.gz LZWUYRFFHYQMDM-QGZVFWFLSA-N 2 1 312.404 3.485 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000866704104 622158158 /nfs/dbraw/zinc/15/81/58/622158158.db2.gz LZWUYRFFHYQMDM-QGZVFWFLSA-N 2 1 312.404 3.485 20 0 DGADMP C[C@@H]1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454013 622265855 /nfs/dbraw/zinc/26/58/55/622265855.db2.gz WKUNRIXDVOTISU-VQIMIIECSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000765486401 622267438 /nfs/dbraw/zinc/26/74/38/622267438.db2.gz YYQKJRVXHGJTNX-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000765486401 622267439 /nfs/dbraw/zinc/26/74/39/622267439.db2.gz YYQKJRVXHGJTNX-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(OC)ccc32)C1 ZINC000765514219 622270272 /nfs/dbraw/zinc/27/02/72/622270272.db2.gz NEFAHFHEEIZYNW-OAHLLOKOSA-N 2 1 313.445 3.412 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000765979881 622297979 /nfs/dbraw/zinc/29/79/79/622297979.db2.gz XQWLHVPVHSSRIE-RDTXWAMCSA-N 2 1 306.425 3.120 20 0 DGADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000766272626 622316508 /nfs/dbraw/zinc/31/65/08/622316508.db2.gz ZTNKBUCSIXEIKW-GGPKGHCWSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766272626 622316510 /nfs/dbraw/zinc/31/65/10/622316510.db2.gz ZTNKBUCSIXEIKW-GGPKGHCWSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766272626 622316514 /nfs/dbraw/zinc/31/65/14/622316514.db2.gz ZTNKBUCSIXEIKW-GGPKGHCWSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(C(F)F)C2)cc1F ZINC000768690989 622471716 /nfs/dbraw/zinc/47/17/16/622471716.db2.gz YVZQJOLMKJHXON-UHFFFAOYSA-N 2 1 309.335 3.453 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)oc21 ZINC000770354670 622623761 /nfs/dbraw/zinc/62/37/61/622623761.db2.gz ZJTNUCIMQCEMAD-NVXWUHKLSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)oc21 ZINC000770354670 622623762 /nfs/dbraw/zinc/62/37/62/622623762.db2.gz ZJTNUCIMQCEMAD-NVXWUHKLSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)oc21 ZINC000770354670 622623766 /nfs/dbraw/zinc/62/37/66/622623766.db2.gz ZJTNUCIMQCEMAD-NVXWUHKLSA-N 2 1 314.429 3.358 20 0 DGADMP Cc1cc(C)cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871784948 622697206 /nfs/dbraw/zinc/69/72/06/622697206.db2.gz BPQCADIFFGEIQU-ALOPSCKCSA-N 2 1 301.434 3.175 20 0 DGADMP Cc1cc(C)cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871784948 622697211 /nfs/dbraw/zinc/69/72/11/622697211.db2.gz BPQCADIFFGEIQU-ALOPSCKCSA-N 2 1 301.434 3.175 20 0 DGADMP CC[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(F)F ZINC000871785455 622697570 /nfs/dbraw/zinc/69/75/70/622697570.db2.gz UCYMSHCYOQFKSH-ODWCKFRGSA-N 2 1 303.397 3.039 20 0 DGADMP CC[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)F ZINC000871785455 622697573 /nfs/dbraw/zinc/69/75/73/622697573.db2.gz UCYMSHCYOQFKSH-ODWCKFRGSA-N 2 1 303.397 3.039 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC(C)C)Cc2ccc(F)cc2)C1 ZINC000872025397 622759244 /nfs/dbraw/zinc/75/92/44/622759244.db2.gz MCFFZCCPAUWUSE-HKUYNNGSSA-N 2 1 322.468 3.093 20 0 DGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000872035173 622766070 /nfs/dbraw/zinc/76/60/70/622766070.db2.gz NKTIYTWIXALUAD-DZGCQCFKSA-N 2 1 322.415 3.341 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(O)ccc1F ZINC000872046236 622772894 /nfs/dbraw/zinc/77/28/94/622772894.db2.gz VNTBFMDEVFQOHG-QLFBSQMISA-N 2 1 324.440 3.071 20 0 DGADMP C1CCC2(C1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000872085493 622796056 /nfs/dbraw/zinc/79/60/56/622796056.db2.gz NYGLQVLCOFTFEQ-IAGOWNOFSA-N 2 1 306.494 3.475 20 0 DGADMP C1CCC2(C1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000872085493 622796060 /nfs/dbraw/zinc/79/60/60/622796060.db2.gz NYGLQVLCOFTFEQ-IAGOWNOFSA-N 2 1 306.494 3.475 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1C(F)(F)F ZINC000872150126 622833152 /nfs/dbraw/zinc/83/31/52/622833152.db2.gz TXMNBHGLVZZUPT-IIAWOOMASA-N 2 1 312.379 3.176 20 0 DGADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOc1cccc3ccccc31)C2 ZINC000872153333 622834583 /nfs/dbraw/zinc/83/45/83/622834583.db2.gz JGDSFQUJSYVWDI-FXAWDEMLSA-N 2 1 310.441 3.150 20 0 DGADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155886 622836719 /nfs/dbraw/zinc/83/67/19/622836719.db2.gz ZQYOHBZMRLESPU-HNNXBMFYSA-N 2 1 305.466 3.027 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1)C1CCCC1 ZINC000872157748 622839378 /nfs/dbraw/zinc/83/93/78/622839378.db2.gz QRTHZLOTLOENDF-BMFZPTHFSA-N 2 1 316.436 3.030 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158128 622840527 /nfs/dbraw/zinc/84/05/27/622840527.db2.gz TZAASWIGNYAFRZ-LPHOPBHVSA-N 2 1 318.509 3.065 20 0 DGADMP CCc1cnc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872158264 622840730 /nfs/dbraw/zinc/84/07/30/622840730.db2.gz UMTAEADCWUBEJB-RHSMWYFYSA-N 2 1 305.466 3.357 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000773106701 622984654 /nfs/dbraw/zinc/98/46/54/622984654.db2.gz YPRFGLYVSYALNF-SJLPKXTDSA-N 2 1 304.478 3.338 20 0 DGADMP CCOc1cccc(F)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000873042823 623023974 /nfs/dbraw/zinc/02/39/74/623023974.db2.gz JTPXRALLDYGPRB-CYBMUJFWSA-N 2 1 305.397 3.155 20 0 DGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(Cl)nc1 ZINC000873201361 623073580 /nfs/dbraw/zinc/07/35/80/623073580.db2.gz DNNHWUVPENHRGG-UHFFFAOYSA-N 2 1 307.850 3.074 20 0 DGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(Cl)nc1 ZINC000873201361 623073583 /nfs/dbraw/zinc/07/35/83/623073583.db2.gz DNNHWUVPENHRGG-UHFFFAOYSA-N 2 1 307.850 3.074 20 0 DGADMP C[N@@H+](CCc1ccccc1F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204053 623073958 /nfs/dbraw/zinc/07/39/58/623073958.db2.gz XHFUAPJKIOHGAW-UHFFFAOYSA-N 2 1 304.434 3.207 20 0 DGADMP COc1ccccc1CC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204522 623074276 /nfs/dbraw/zinc/07/42/76/623074276.db2.gz FVQBPPVFCUOVOT-UHFFFAOYSA-N 2 1 316.470 3.077 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000873222901 623079690 /nfs/dbraw/zinc/07/96/90/623079690.db2.gz DLGLJBORBRUDBP-DNVCBOLYSA-N 2 1 302.462 3.250 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000873223612 623080600 /nfs/dbraw/zinc/08/06/00/623080600.db2.gz PBBIZEHELYCGDB-KRWDZBQOSA-N 2 1 318.490 3.335 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000873223787 623081724 /nfs/dbraw/zinc/08/17/24/623081724.db2.gz SEROMUNVCDJKAO-YOEHRIQHSA-N 2 1 323.506 3.192 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000873223787 623081730 /nfs/dbraw/zinc/08/17/30/623081730.db2.gz SEROMUNVCDJKAO-YOEHRIQHSA-N 2 1 323.506 3.192 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2n1 ZINC000873227541 623083165 /nfs/dbraw/zinc/08/31/65/623083165.db2.gz JBTCBJRLAKNNJD-LSDHHAIUSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2n1 ZINC000873227541 623083168 /nfs/dbraw/zinc/08/31/68/623083168.db2.gz JBTCBJRLAKNNJD-LSDHHAIUSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])c(-c2cnn(C)c2)c1 ZINC000873231291 623083687 /nfs/dbraw/zinc/08/36/87/623083687.db2.gz CUNZNCFAIUTTSN-UHFFFAOYSA-N 2 1 314.477 3.346 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1ccccc1F ZINC000873231742 623084495 /nfs/dbraw/zinc/08/44/95/623084495.db2.gz VBSYXSJYRZQWLP-UHFFFAOYSA-N 2 1 304.413 3.167 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000873231579 623085189 /nfs/dbraw/zinc/08/51/89/623085189.db2.gz PCZTVBJDHQEORR-UHFFFAOYSA-N 2 1 300.450 3.336 20 0 DGADMP Cc1cc2c(CC[NH2+][C@H](C)c3c[nH+]ccc3N)c[nH]c2cc1F ZINC000873246776 623090113 /nfs/dbraw/zinc/09/01/13/623090113.db2.gz AZECMSPUTXCTGP-GFCCVEGCSA-N 2 1 312.392 3.316 20 0 DGADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC000774258918 623125681 /nfs/dbraw/zinc/12/56/81/623125681.db2.gz UTISBYGEKSNHSP-DSZSVDOYSA-N 2 1 308.853 3.242 20 0 DGADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000774258918 623125682 /nfs/dbraw/zinc/12/56/82/623125682.db2.gz UTISBYGEKSNHSP-DSZSVDOYSA-N 2 1 308.853 3.242 20 0 DGADMP CCCCCn1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000774266313 623126272 /nfs/dbraw/zinc/12/62/72/623126272.db2.gz KGESNLQRHVUMRS-AYHJJNSGSA-N 2 1 304.482 3.097 20 0 DGADMP CCCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000774266313 623126274 /nfs/dbraw/zinc/12/62/74/623126274.db2.gz KGESNLQRHVUMRS-AYHJJNSGSA-N 2 1 304.482 3.097 20 0 DGADMP CCCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000774266313 623126277 /nfs/dbraw/zinc/12/62/77/623126277.db2.gz KGESNLQRHVUMRS-AYHJJNSGSA-N 2 1 304.482 3.097 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000774974827 623212539 /nfs/dbraw/zinc/21/25/39/623212539.db2.gz GLFQDCHBIXHNKD-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000774974827 623212542 /nfs/dbraw/zinc/21/25/42/623212542.db2.gz GLFQDCHBIXHNKD-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000774978815 623213059 /nfs/dbraw/zinc/21/30/59/623213059.db2.gz NNEKKEKQNCQDST-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000774978815 623213060 /nfs/dbraw/zinc/21/30/60/623213060.db2.gz NNEKKEKQNCQDST-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[NH+]1CCCC1 ZINC000775362734 623260353 /nfs/dbraw/zinc/26/03/53/623260353.db2.gz IEANMSGHTCLWCB-FXUDXRNXSA-N 2 1 314.564 3.076 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)cnc2F)CC1 ZINC000876576633 623649631 /nfs/dbraw/zinc/64/96/31/623649631.db2.gz OLPFRPJYEFEIKH-UHFFFAOYSA-N 2 1 323.456 3.173 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)cnc2F)CC1 ZINC000876576633 623649634 /nfs/dbraw/zinc/64/96/34/623649634.db2.gz OLPFRPJYEFEIKH-UHFFFAOYSA-N 2 1 323.456 3.173 20 0 DGADMP Clc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000876778512 623704208 /nfs/dbraw/zinc/70/42/08/623704208.db2.gz HCRJACDOUVYRNZ-UHFFFAOYSA-N 2 1 322.884 3.218 20 0 DGADMP Cc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000876812762 623713374 /nfs/dbraw/zinc/71/33/74/623713374.db2.gz YHOOTAYUIHOSKI-KBAYOESNSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000876812762 623713379 /nfs/dbraw/zinc/71/33/79/623713379.db2.gz YHOOTAYUIHOSKI-KBAYOESNSA-N 2 1 322.880 3.332 20 0 DGADMP C[N@@H+](CCC[NH2+]C[C@@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000876900915 623740335 /nfs/dbraw/zinc/74/03/35/623740335.db2.gz UIFZDGZKFVCDAW-AWEZNQCLSA-N 2 1 301.261 3.292 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876933495 623747672 /nfs/dbraw/zinc/74/76/72/623747672.db2.gz QUZNSFJYADGRBA-GFCCVEGCSA-N 2 1 301.887 3.398 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000876932595 623747807 /nfs/dbraw/zinc/74/78/07/623747807.db2.gz PXTALXHKMKZSGJ-CMBDLQSPSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876932595 623747814 /nfs/dbraw/zinc/74/78/14/623747814.db2.gz PXTALXHKMKZSGJ-CMBDLQSPSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876964716 623756479 /nfs/dbraw/zinc/75/64/79/623756479.db2.gz NZEVDWVOFPDJRU-JXSLOMFPSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000876964716 623756482 /nfs/dbraw/zinc/75/64/82/623756482.db2.gz NZEVDWVOFPDJRU-JXSLOMFPSA-N 2 1 318.442 3.419 20 0 DGADMP C[C@@H](CCO)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000779394013 623765818 /nfs/dbraw/zinc/76/58/18/623765818.db2.gz UNNSLNTWSQBWPG-INIZCTEOSA-N 2 1 304.478 3.312 20 0 DGADMP OC1CC(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877477331 623901256 /nfs/dbraw/zinc/90/12/56/623901256.db2.gz ASWKBNKWXKEGSG-UMAOKMLGSA-N 2 1 314.473 3.105 20 0 DGADMP OC1CC(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877477331 623901259 /nfs/dbraw/zinc/90/12/59/623901259.db2.gz ASWKBNKWXKEGSG-UMAOKMLGSA-N 2 1 314.473 3.105 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000877479509 623901983 /nfs/dbraw/zinc/90/19/83/623901983.db2.gz VSIKWINKGFEUTO-INIZCTEOSA-N 2 1 301.409 3.290 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000877479509 623901986 /nfs/dbraw/zinc/90/19/86/623901986.db2.gz VSIKWINKGFEUTO-INIZCTEOSA-N 2 1 301.409 3.290 20 0 DGADMP C[C@@]1(C[NH2+]C2CC(n3cccn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496823 623911900 /nfs/dbraw/zinc/91/19/00/623911900.db2.gz ZLFRRFSOCAHPGU-MHJFOBGBSA-N 2 1 324.472 3.088 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000877529297 623925723 /nfs/dbraw/zinc/92/57/23/623925723.db2.gz YMHQTVKHZKVNPY-AWEZNQCLSA-N 2 1 311.832 3.038 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000877529297 623925726 /nfs/dbraw/zinc/92/57/26/623925726.db2.gz YMHQTVKHZKVNPY-AWEZNQCLSA-N 2 1 311.832 3.038 20 0 DGADMP COCC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000877664128 623982861 /nfs/dbraw/zinc/98/28/61/623982861.db2.gz IADQNPCRRBMTJE-PMACEKPBSA-N 2 1 316.489 3.080 20 0 DGADMP COCC[N@H+](Cc1ccc2occc2c1)CC1CC[NH+](C)CC1 ZINC000877664274 623984013 /nfs/dbraw/zinc/98/40/13/623984013.db2.gz LVIXDAULWYRCEX-UHFFFAOYSA-N 2 1 316.445 3.223 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741819 624015183 /nfs/dbraw/zinc/01/51/83/624015183.db2.gz NRYPAWCBBYFWIB-HXSCFSKGSA-N 2 1 304.400 3.381 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741819 624015184 /nfs/dbraw/zinc/01/51/84/624015184.db2.gz NRYPAWCBBYFWIB-HXSCFSKGSA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741819 624015189 /nfs/dbraw/zinc/01/51/89/624015189.db2.gz NRYPAWCBBYFWIB-HXSCFSKGSA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)CC[C@H]21 ZINC000877741819 624015190 /nfs/dbraw/zinc/01/51/90/624015190.db2.gz NRYPAWCBBYFWIB-HXSCFSKGSA-N 2 1 304.400 3.381 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744092 624016244 /nfs/dbraw/zinc/01/62/44/624016244.db2.gz ZRULOZJHUVDUAZ-MJGOQNOKSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744092 624016248 /nfs/dbraw/zinc/01/62/48/624016248.db2.gz ZRULOZJHUVDUAZ-MJGOQNOKSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc2ccccc21 ZINC000877744092 624016253 /nfs/dbraw/zinc/01/62/53/624016253.db2.gz ZRULOZJHUVDUAZ-MJGOQNOKSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc2ccccc21 ZINC000877744092 624016257 /nfs/dbraw/zinc/01/62/57/624016257.db2.gz ZRULOZJHUVDUAZ-MJGOQNOKSA-N 2 1 310.441 3.374 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744784 624017128 /nfs/dbraw/zinc/01/71/28/624017128.db2.gz XWHWMGKNVVWFDR-ICSRJNTNSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744784 624017136 /nfs/dbraw/zinc/01/71/36/624017136.db2.gz XWHWMGKNVVWFDR-ICSRJNTNSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744784 624017142 /nfs/dbraw/zinc/01/71/42/624017142.db2.gz XWHWMGKNVVWFDR-ICSRJNTNSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000877744784 624017146 /nfs/dbraw/zinc/01/71/46/624017146.db2.gz XWHWMGKNVVWFDR-ICSRJNTNSA-N 2 1 307.441 3.275 20 0 DGADMP CCOc1cncc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000877767938 624028599 /nfs/dbraw/zinc/02/85/99/624028599.db2.gz ZYKPOSKITWTZJF-UHFFFAOYSA-N 2 1 319.493 3.280 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878164380 624196092 /nfs/dbraw/zinc/19/60/92/624196092.db2.gz FRTIFCVEYHDOEZ-RTBURBONSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878164380 624196094 /nfs/dbraw/zinc/19/60/94/624196094.db2.gz FRTIFCVEYHDOEZ-RTBURBONSA-N 2 1 302.462 3.323 20 0 DGADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173130 624202021 /nfs/dbraw/zinc/20/20/21/624202021.db2.gz SNQHLWNMCMNFHB-IJXRJRJASA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173130 624202024 /nfs/dbraw/zinc/20/20/24/624202024.db2.gz SNQHLWNMCMNFHB-IJXRJRJASA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173130 624202026 /nfs/dbraw/zinc/20/20/26/624202026.db2.gz SNQHLWNMCMNFHB-IJXRJRJASA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173130 624202029 /nfs/dbraw/zinc/20/20/29/624202029.db2.gz SNQHLWNMCMNFHB-IJXRJRJASA-N 2 1 316.489 3.396 20 0 DGADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)OC1 ZINC000878285606 624235668 /nfs/dbraw/zinc/23/56/68/624235668.db2.gz CYJQJEVKUJZKQD-NXHRZFHOSA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)OC1 ZINC000878285606 624235670 /nfs/dbraw/zinc/23/56/70/624235670.db2.gz CYJQJEVKUJZKQD-NXHRZFHOSA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)OC1 ZINC000878285606 624235671 /nfs/dbraw/zinc/23/56/71/624235671.db2.gz CYJQJEVKUJZKQD-NXHRZFHOSA-N 2 1 306.494 3.140 20 0 DGADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878285555 624235749 /nfs/dbraw/zinc/23/57/49/624235749.db2.gz BZOZEMUYMUNVSQ-NXHRZFHOSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@H]1CCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285555 624235750 /nfs/dbraw/zinc/23/57/50/624235750.db2.gz BZOZEMUYMUNVSQ-NXHRZFHOSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@H]1CCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285555 624235751 /nfs/dbraw/zinc/23/57/51/624235751.db2.gz BZOZEMUYMUNVSQ-NXHRZFHOSA-N 2 1 304.478 3.037 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412595 624271069 /nfs/dbraw/zinc/27/10/69/624271069.db2.gz WFPTWGZJQYQLOZ-BQFCYCMXSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+]CCCOC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411388 624271216 /nfs/dbraw/zinc/27/12/16/624271216.db2.gz JBPAVIKDIVOWPX-CHWSQXEVSA-N 2 1 308.388 3.156 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412233 624271269 /nfs/dbraw/zinc/27/12/69/624271269.db2.gz TXFYTJVZFVUSCE-XYJFISCASA-N 2 1 306.494 3.331 20 0 DGADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000782950866 624293807 /nfs/dbraw/zinc/29/38/07/624293807.db2.gz SYAFBKCEGWFSBD-UHFFFAOYSA-N 2 1 306.450 3.022 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878511450 624294075 /nfs/dbraw/zinc/29/40/75/624294075.db2.gz CHNLSDVFSMSAIO-YESZJQIVSA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878511450 624294078 /nfs/dbraw/zinc/29/40/78/624294078.db2.gz CHNLSDVFSMSAIO-YESZJQIVSA-N 2 1 305.466 3.115 20 0 DGADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000878606336 624319935 /nfs/dbraw/zinc/31/99/35/624319935.db2.gz ODYNDTJAVYBSPA-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000878606336 624319939 /nfs/dbraw/zinc/31/99/39/624319939.db2.gz ODYNDTJAVYBSPA-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000878606336 624319941 /nfs/dbraw/zinc/31/99/41/624319941.db2.gz ODYNDTJAVYBSPA-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878646338 624329246 /nfs/dbraw/zinc/32/92/46/624329246.db2.gz ZPVSVBFKMOICEM-AQNXPRMDSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878662345 624334228 /nfs/dbraw/zinc/33/42/28/624334228.db2.gz OWPWVZDZHYYKCS-HSALFYBXSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878662345 624334230 /nfs/dbraw/zinc/33/42/30/624334230.db2.gz OWPWVZDZHYYKCS-HSALFYBXSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878662345 624334233 /nfs/dbraw/zinc/33/42/33/624334233.db2.gz OWPWVZDZHYYKCS-HSALFYBXSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3cccc4ccccc43)C2)CC1 ZINC000878863675 624374752 /nfs/dbraw/zinc/37/47/52/624374752.db2.gz BPLNAYUIOTWMIP-FQEVSTJZSA-N 2 1 324.468 3.291 20 0 DGADMP C[NH+](C)C1CCN(c2ccc([NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000783652703 624379911 /nfs/dbraw/zinc/37/99/11/624379911.db2.gz PDYXLMCLAQXKFV-MRXNPFEDSA-N 2 1 317.477 3.056 20 0 DGADMP COCC[N@@H+](CCCc1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000879127591 624433388 /nfs/dbraw/zinc/43/33/88/624433388.db2.gz YZSNSHXLFQYYOJ-UHFFFAOYSA-N 2 1 322.468 3.049 20 0 DGADMP COCC[N@@H+](C[C@H]1CCc2ccccc21)CC1CC[NH+](C)CC1 ZINC000879127115 624433526 /nfs/dbraw/zinc/43/35/26/624433526.db2.gz RHTZABJWSHXGOR-LJQANCHMSA-N 2 1 316.489 3.007 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000879950934 624730880 /nfs/dbraw/zinc/73/08/80/624730880.db2.gz DUQSNGVSUGSTCW-LJQANCHMSA-N 2 1 316.489 3.451 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCOC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880260525 624875052 /nfs/dbraw/zinc/87/50/52/624875052.db2.gz PPNQOVJWHROSJU-MRXNPFEDSA-N 2 1 305.466 3.187 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccccc1F ZINC000880516933 624971478 /nfs/dbraw/zinc/97/14/78/624971478.db2.gz FBYMBDZPFWOWMO-GOSISDBHSA-N 2 1 308.441 3.057 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000882887684 625846082 /nfs/dbraw/zinc/84/60/82/625846082.db2.gz CDEMRMHUWGJOCQ-KRWDZBQOSA-N 2 1 316.489 3.332 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000882989648 625887167 /nfs/dbraw/zinc/88/71/67/625887167.db2.gz BHTZXJSVHPCNDK-QGZVFWFLSA-N 2 1 304.478 3.190 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@@H](C4)C3)CC2)nc(C)[nH+]1 ZINC000883029356 625902683 /nfs/dbraw/zinc/90/26/83/625902683.db2.gz QGBYCTNTQMXBRY-ALXJQNPVSA-N 2 1 314.477 3.231 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000796796887 626084344 /nfs/dbraw/zinc/08/43/44/626084344.db2.gz FMXJHRXFLSHIIR-PWKSQPCKSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000796796887 626084345 /nfs/dbraw/zinc/08/43/45/626084345.db2.gz FMXJHRXFLSHIIR-PWKSQPCKSA-N 2 1 319.537 3.246 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000796796889 626084365 /nfs/dbraw/zinc/08/43/65/626084365.db2.gz FMXJHRXFLSHIIR-ZCFHBRKKSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000796796889 626084367 /nfs/dbraw/zinc/08/43/67/626084367.db2.gz FMXJHRXFLSHIIR-ZCFHBRKKSA-N 2 1 319.537 3.246 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000797583153 626155172 /nfs/dbraw/zinc/15/51/72/626155172.db2.gz YZBDQWJAGXGDQN-OGWHTMIXSA-N 2 1 308.510 3.434 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956615 626262614 /nfs/dbraw/zinc/26/26/14/626262614.db2.gz GIPDKTSVZZKURX-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3cc(F)c(F)cc3F)C2)CC1 ZINC000798957420 626262708 /nfs/dbraw/zinc/26/27/08/626262708.db2.gz WQPFSGXVXNJLLP-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(F)c(F)cc3F)C2)CC1 ZINC000798957420 626262710 /nfs/dbraw/zinc/26/27/10/626262710.db2.gz WQPFSGXVXNJLLP-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)CC1 ZINC000799179822 626278130 /nfs/dbraw/zinc/27/81/30/626278130.db2.gz VRYCQLZAGGIOKU-UHFFFAOYSA-N 2 1 317.408 3.275 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998470 626342202 /nfs/dbraw/zinc/34/22/02/626342202.db2.gz ZRUTUMMWGIQWQZ-VBQJREDUSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998470 626342205 /nfs/dbraw/zinc/34/22/05/626342205.db2.gz ZRUTUMMWGIQWQZ-VBQJREDUSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998470 626342207 /nfs/dbraw/zinc/34/22/07/626342207.db2.gz ZRUTUMMWGIQWQZ-VBQJREDUSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998470 626342208 /nfs/dbraw/zinc/34/22/08/626342208.db2.gz ZRUTUMMWGIQWQZ-VBQJREDUSA-N 2 1 310.869 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H](C)C1 ZINC000883254831 626625425 /nfs/dbraw/zinc/62/54/25/626625425.db2.gz DKPQSXSKRXNGPF-LSDHHAIUSA-N 2 1 318.452 3.148 20 0 DGADMP FC1(F)CCC[C@H]1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883274579 626632074 /nfs/dbraw/zinc/63/20/74/626632074.db2.gz OUZJQIQALGVZFZ-GOEBONIOSA-N 2 1 316.436 3.045 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000131458114 626640136 /nfs/dbraw/zinc/64/01/36/626640136.db2.gz WGUGXEUAGPMMOM-INIZCTEOSA-N 2 1 317.477 3.196 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000883320577 626646759 /nfs/dbraw/zinc/64/67/59/626646759.db2.gz PLAOTFJGDGORHV-KJFMYELZSA-N 2 1 314.473 3.197 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417862 626678161 /nfs/dbraw/zinc/67/81/61/626678161.db2.gz PPXORLVIELSYAY-BTRQGYIVSA-N 2 1 302.462 3.499 20 0 DGADMP C[N@@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417864 626678191 /nfs/dbraw/zinc/67/81/91/626678191.db2.gz PPXORLVIELSYAY-GMNCBBECSA-N 2 1 302.462 3.499 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883426850 626680222 /nfs/dbraw/zinc/68/02/22/626680222.db2.gz BJAXAGOSZDTQRN-YTQUADARSA-N 2 1 302.462 3.358 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)O2)cc1 ZINC000883430141 626680850 /nfs/dbraw/zinc/68/08/50/626680850.db2.gz NUUWNQPIAYHXOU-NMLBUPMWSA-N 2 1 314.473 3.371 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883434897 626681557 /nfs/dbraw/zinc/68/15/57/626681557.db2.gz DKOBZXORSSKBHZ-IAGOWNOFSA-N 2 1 308.510 3.292 20 0 DGADMP C=C/C=C\CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000883436400 626682103 /nfs/dbraw/zinc/68/21/03/626682103.db2.gz RSNWSTGKLYRYRZ-ARJAWSKDSA-N 2 1 314.477 3.188 20 0 DGADMP Cn1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000808384065 626819263 /nfs/dbraw/zinc/81/92/63/626819263.db2.gz AGUJIQKRYDAYPO-UHFFFAOYSA-N 2 1 312.461 3.086 20 0 DGADMP CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809739001 626944015 /nfs/dbraw/zinc/94/40/15/626944015.db2.gz SVTJCFLBIVFEKO-RBUKOAKNSA-N 2 1 304.478 3.385 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)nc1 ZINC000810209233 626987982 /nfs/dbraw/zinc/98/79/82/626987982.db2.gz OVOJIAAVOAQVPZ-UBHSHLNASA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)nc1 ZINC000810209233 626987985 /nfs/dbraw/zinc/98/79/85/626987985.db2.gz OVOJIAAVOAQVPZ-UBHSHLNASA-N 2 1 324.266 3.122 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000885983343 627076257 /nfs/dbraw/zinc/07/62/57/627076257.db2.gz DLGACBUZCNLGIQ-SFHVURJKSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000886018516 627085616 /nfs/dbraw/zinc/08/56/16/627085616.db2.gz BNSZAIXEOONDKD-IEBWSBKVSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000886018516 627085617 /nfs/dbraw/zinc/08/56/17/627085617.db2.gz BNSZAIXEOONDKD-IEBWSBKVSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000886018516 627085619 /nfs/dbraw/zinc/08/56/19/627085619.db2.gz BNSZAIXEOONDKD-IEBWSBKVSA-N 2 1 304.478 3.113 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000886057665 627095723 /nfs/dbraw/zinc/09/57/23/627095723.db2.gz ULVQDHNBGHOLPR-UHFFFAOYSA-N 2 1 324.472 3.149 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000886142877 627111544 /nfs/dbraw/zinc/11/15/44/627111544.db2.gz NALTVSHQDPZOQD-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886305739 627134394 /nfs/dbraw/zinc/13/43/94/627134394.db2.gz PJMDPNZEZOGKMS-QZTJIDSGSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000886503839 627154133 /nfs/dbraw/zinc/15/41/33/627154133.db2.gz HNQDQGRDTGWQKP-FUHWJXTLSA-N 2 1 306.498 3.361 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000886504164 627154180 /nfs/dbraw/zinc/15/41/80/627154180.db2.gz TVCRVFIGBSKFIL-SJLPKXTDSA-N 2 1 306.498 3.219 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886526092 627157109 /nfs/dbraw/zinc/15/71/09/627157109.db2.gz FCYXPXFINYWIBA-UVBQOVKKSA-N 2 1 316.489 3.036 20 0 DGADMP CC(C)N1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886542990 627160044 /nfs/dbraw/zinc/16/00/44/627160044.db2.gz JAQCWFHDKXGFHJ-UHFFFAOYSA-N 2 1 307.526 3.246 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000886551759 627161851 /nfs/dbraw/zinc/16/18/51/627161851.db2.gz NZDINYQFAKURQG-PQUAAJSLSA-N 2 1 302.466 3.174 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCCOC(F)(F)F)CC2)[nH+]c1C ZINC000886659832 627182525 /nfs/dbraw/zinc/18/25/25/627182525.db2.gz WPJAKCMFAQIAHU-UHFFFAOYSA-N 2 1 305.344 3.132 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CC[C@H](C4CC4)O3)CC2)[nH+]c1C ZINC000886659507 627182578 /nfs/dbraw/zinc/18/25/78/627182578.db2.gz OJZKHTUDLFBHPT-DLBZAZTESA-N 2 1 303.450 3.164 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCOCC3CCCC3)CC2)[nH+]c1C ZINC000886660741 627182755 /nfs/dbraw/zinc/18/27/55/627182755.db2.gz FEHWZNVNIUSNQD-UHFFFAOYSA-N 2 1 305.466 3.413 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CC3(Br)CC3)CC2)[nH+]c1C ZINC000886661440 627182812 /nfs/dbraw/zinc/18/28/12/627182812.db2.gz VENAOLJBPOMCEB-UHFFFAOYSA-N 2 1 312.255 3.133 20 0 DGADMP Cc1[nH]c(C2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)[nH+]c1C ZINC000886660750 627183177 /nfs/dbraw/zinc/18/31/77/627183177.db2.gz FLBSOALKKLBJNO-SFHVURJKSA-N 2 1 318.509 3.469 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886719932 627197171 /nfs/dbraw/zinc/19/71/71/627197171.db2.gz MXQXJQFKPQOKRF-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP CCC1([NH+]2CCC2)CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000886717857 627197191 /nfs/dbraw/zinc/19/71/91/627197191.db2.gz KOFLZPYHCSERRP-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000887135170 627228079 /nfs/dbraw/zinc/22/80/79/627228079.db2.gz XQEYNBCPADMTJQ-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1ccccc1 ZINC000813876919 627518421 /nfs/dbraw/zinc/51/84/21/627518421.db2.gz DKTOEEJWZPOMIU-GJZGRUSLSA-N 2 1 300.450 3.029 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000814910512 627606962 /nfs/dbraw/zinc/60/69/62/627606962.db2.gz YVSAMHWGSOVSHX-LJQANCHMSA-N 2 1 311.429 3.166 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000815057147 627620711 /nfs/dbraw/zinc/62/07/11/627620711.db2.gz JIKPEDXLUODNKS-QGZVFWFLSA-N 2 1 316.445 3.272 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000815057147 627620712 /nfs/dbraw/zinc/62/07/12/627620712.db2.gz JIKPEDXLUODNKS-QGZVFWFLSA-N 2 1 316.445 3.272 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000815057205 627620815 /nfs/dbraw/zinc/62/08/15/627620815.db2.gz OWCSGFHIODTNAQ-KNBMTAEXSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@H+]1C ZINC000815057205 627620816 /nfs/dbraw/zinc/62/08/16/627620816.db2.gz OWCSGFHIODTNAQ-KNBMTAEXSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057205 627620818 /nfs/dbraw/zinc/62/08/18/627620818.db2.gz OWCSGFHIODTNAQ-KNBMTAEXSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057205 627620819 /nfs/dbraw/zinc/62/08/19/627620819.db2.gz OWCSGFHIODTNAQ-KNBMTAEXSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@H](N[C@H](CN(C)C)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000924584411 627652440 /nfs/dbraw/zinc/65/24/40/627652440.db2.gz JOAVTIXJOVHSSA-MAUKXSAKSA-N 2 1 312.461 3.173 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cc(OC)no2)cc1 ZINC000924584955 627652821 /nfs/dbraw/zinc/65/28/21/627652821.db2.gz JMBFICFYGYHVBN-AWEZNQCLSA-N 2 1 317.433 3.376 20 0 DGADMP Clc1ccnc2c1CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000924646753 627662095 /nfs/dbraw/zinc/66/20/95/627662095.db2.gz FXHIJRNMAVNUCK-WBMJQRKESA-N 2 1 305.853 3.186 20 0 DGADMP Clc1ccnc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924646753 627662099 /nfs/dbraw/zinc/66/20/99/627662099.db2.gz FXHIJRNMAVNUCK-WBMJQRKESA-N 2 1 305.853 3.186 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1(Cl)CC1 ZINC000924650477 627662659 /nfs/dbraw/zinc/66/26/59/627662659.db2.gz YOHSJTWXVXGVNT-HNNXBMFYSA-N 2 1 306.881 3.443 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)on1 ZINC000924655868 627663644 /nfs/dbraw/zinc/66/36/44/627663644.db2.gz DVKFOXRJYVRRNX-CQSZACIVSA-N 2 1 317.433 3.374 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)on1 ZINC000924655868 627663647 /nfs/dbraw/zinc/66/36/47/627663647.db2.gz DVKFOXRJYVRRNX-CQSZACIVSA-N 2 1 317.433 3.374 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000924684346 627667049 /nfs/dbraw/zinc/66/70/49/627667049.db2.gz DZRMMGRLDHCXGV-QRVBRYPASA-N 2 1 307.526 3.105 20 0 DGADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000924684756 627667330 /nfs/dbraw/zinc/66/73/30/627667330.db2.gz FPSXUVGUDMLRTB-HOCLYGCPSA-N 2 1 305.466 3.462 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nn1 ZINC000924689055 627668054 /nfs/dbraw/zinc/66/80/54/627668054.db2.gz WHZBBUSQNGOZBN-JKSUJKDBSA-N 2 1 307.486 3.022 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924697028 627669153 /nfs/dbraw/zinc/66/91/53/627669153.db2.gz XYGMNCABTLGGEM-MOPGFXCFSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCCc2c(Cl)ccnc21)C[NH+]1CCCC1 ZINC000924717793 627672699 /nfs/dbraw/zinc/67/26/99/627672699.db2.gz XDJVOMQAZQIQIW-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1csc2ccccc21 ZINC000924754482 627676820 /nfs/dbraw/zinc/67/68/20/627676820.db2.gz IMNUEEHDDIBPSZ-CQSZACIVSA-N 2 1 318.486 3.399 20 0 DGADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000924825172 627684032 /nfs/dbraw/zinc/68/40/32/627684032.db2.gz FKJAWSAUTHPYJS-FKEKPDDDSA-N 2 1 313.470 3.240 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000924825172 627684034 /nfs/dbraw/zinc/68/40/34/627684034.db2.gz FKJAWSAUTHPYJS-FKEKPDDDSA-N 2 1 313.470 3.240 20 0 DGADMP CCn1nc(C)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1C ZINC000924923214 627694422 /nfs/dbraw/zinc/69/44/22/627694422.db2.gz HZRWKBDTVBCOCB-UHFFFAOYSA-N 2 1 306.498 3.120 20 0 DGADMP Cc1ccc([C@H](NC[C@@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012012 627701331 /nfs/dbraw/zinc/70/13/31/627701331.db2.gz UMWAITZAAHJCBR-PXNSSMCTSA-N 2 1 309.457 3.411 20 0 DGADMP CC(C)n1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000925107013 627709070 /nfs/dbraw/zinc/70/90/70/627709070.db2.gz QSUGDZDGIVDEQJ-HNNXBMFYSA-N 2 1 300.450 3.376 20 0 DGADMP C[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925132557 627711659 /nfs/dbraw/zinc/71/16/59/627711659.db2.gz IFAIFOWMXVZJDZ-KXBFYZLASA-N 2 1 314.429 3.036 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(O)cc(F)c1 ZINC000925441086 627736816 /nfs/dbraw/zinc/73/68/16/627736816.db2.gz YGCODKCGQLOXDH-QLFBSQMISA-N 2 1 324.440 3.071 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925497843 627742481 /nfs/dbraw/zinc/74/24/81/627742481.db2.gz ZICHCAAMIAWPKV-JXFKEZNVSA-N 2 1 311.473 3.316 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000925494114 627742577 /nfs/dbraw/zinc/74/25/77/627742577.db2.gz NHHHTOPYNVXETF-OAGGEKHMSA-N 2 1 321.534 3.381 20 0 DGADMP Clc1ccc2c(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)c[nH]c2c1 ZINC000925519073 627746200 /nfs/dbraw/zinc/74/62/00/627746200.db2.gz GXAWIGMSDNRSTA-MRXNPFEDSA-N 2 1 303.837 3.238 20 0 DGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1 ZINC000925531965 627749049 /nfs/dbraw/zinc/74/90/49/627749049.db2.gz SVIPVVVHNIPPTM-DNVCBOLYSA-N 2 1 305.425 3.455 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925540321 627750417 /nfs/dbraw/zinc/75/04/17/627750417.db2.gz OOMILPFMSWDLME-PBHICJAKSA-N 2 1 305.466 3.057 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925606636 627761207 /nfs/dbraw/zinc/76/12/07/627761207.db2.gz PDQQDWSGMNJZKA-ROUUACIJSA-N 2 1 317.477 3.127 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616155 627763822 /nfs/dbraw/zinc/76/38/22/627763822.db2.gz KJZMYKQKRDXLLS-AZUAARDMSA-N 3 1 317.521 3.424 20 0 DGADMP CCCCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(C)n1 ZINC000925632307 627765313 /nfs/dbraw/zinc/76/53/13/627765313.db2.gz WJXYGZOMFMNQSV-RTBURBONSA-N 2 1 318.509 3.250 20 0 DGADMP CN(C)CC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925638299 627767161 /nfs/dbraw/zinc/76/71/61/627767161.db2.gz AIIKQIKMAKMBSS-SFHVURJKSA-N 2 1 303.494 3.178 20 0 DGADMP COc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647086 627769792 /nfs/dbraw/zinc/76/97/92/627769792.db2.gz XRSSYRHUHWESOQ-SJORKVTESA-N 2 1 306.425 3.092 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000925655448 627770924 /nfs/dbraw/zinc/77/09/24/627770924.db2.gz VHTLPISEHJBFAQ-GUDVDZBRSA-N 2 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000925655448 627770928 /nfs/dbraw/zinc/77/09/28/627770928.db2.gz VHTLPISEHJBFAQ-GUDVDZBRSA-N 3 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000925655448 627770931 /nfs/dbraw/zinc/77/09/31/627770931.db2.gz VHTLPISEHJBFAQ-GUDVDZBRSA-N 3 1 315.505 3.004 20 0 DGADMP CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[nH]1 ZINC000925658919 627771745 /nfs/dbraw/zinc/77/17/45/627771745.db2.gz KKRBSSFLHQKFJA-UONOGXRCSA-N 2 1 315.465 3.402 20 0 DGADMP COCCCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925664222 627773513 /nfs/dbraw/zinc/77/35/13/627773513.db2.gz XFYXZFZMEYAXOS-GNVSMLMZSA-N 2 1 314.473 3.130 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)C12CCC2 ZINC000925670141 627774010 /nfs/dbraw/zinc/77/40/10/627774010.db2.gz ITDAJROTJXACIG-OALUTQOASA-N 2 1 323.440 3.020 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c2ccccc2O1 ZINC000925680737 627775996 /nfs/dbraw/zinc/77/59/96/627775996.db2.gz SWCWPAFHSJOSRC-ZVEIASASSA-N 2 1 300.446 3.265 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925715924 627780628 /nfs/dbraw/zinc/78/06/28/627780628.db2.gz KNBKYPDPKXMAMB-SJLPKXTDSA-N 2 1 306.425 3.092 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925715923 627780730 /nfs/dbraw/zinc/78/07/30/627780730.db2.gz KNBKYPDPKXMAMB-FUHWJXTLSA-N 2 1 306.425 3.092 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000925739657 627784872 /nfs/dbraw/zinc/78/48/72/627784872.db2.gz CCKFHWBRVGFUKQ-LBPRGKRZSA-N 2 1 315.230 3.293 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCCCC13CCCC3)C2 ZINC000925749629 627786664 /nfs/dbraw/zinc/78/66/64/627786664.db2.gz KLKBHOBXWWCTPA-HNNXBMFYSA-N 2 1 305.491 3.463 20 0 DGADMP CCC1([NH3+])CCN([C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000925759780 627789765 /nfs/dbraw/zinc/78/97/65/627789765.db2.gz LQDKGQMNNYNZIS-HKUYNNGSSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1nccc2ccccc21 ZINC000925775108 627793078 /nfs/dbraw/zinc/79/30/78/627793078.db2.gz DKTRLJGYSXVZDR-OCCSQVGLSA-N 2 1 305.372 3.130 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1nccc2ccccc21 ZINC000925775105 627793200 /nfs/dbraw/zinc/79/32/00/627793200.db2.gz DKTRLJGYSXVZDR-GXTWGEPZSA-N 2 1 305.372 3.130 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(C)ccc1OC ZINC000925786152 627795193 /nfs/dbraw/zinc/79/51/93/627795193.db2.gz WFCCMQQBFVWQAO-DZGCQCFKSA-N 2 1 312.404 3.289 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000925806584 627798683 /nfs/dbraw/zinc/79/86/83/627798683.db2.gz FTNCWJRUFQQAGH-GBESFXJTSA-N 3 1 307.526 3.009 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000925806584 627798684 /nfs/dbraw/zinc/79/86/84/627798684.db2.gz FTNCWJRUFQQAGH-GBESFXJTSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000925844170 627804839 /nfs/dbraw/zinc/80/48/39/627804839.db2.gz RBLLCVDXFRYZFJ-KFKAGJAMSA-N 2 1 310.445 3.055 20 0 DGADMP CCn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925887651 627812615 /nfs/dbraw/zinc/81/26/15/627812615.db2.gz JBKVJPPAYYYXLY-SFHVURJKSA-N 2 1 318.509 3.381 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000926120209 627847272 /nfs/dbraw/zinc/84/72/72/627847272.db2.gz VQLGCUJOTLXUQB-JYJNAYRXSA-N 2 1 317.477 3.394 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000926120209 627847276 /nfs/dbraw/zinc/84/72/76/627847276.db2.gz VQLGCUJOTLXUQB-JYJNAYRXSA-N 2 1 317.477 3.394 20 0 DGADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnn1C1CCC1 ZINC000926171076 627854399 /nfs/dbraw/zinc/85/43/99/627854399.db2.gz OEYZFUSPWLCMEI-HNNXBMFYSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1coc2ccccc12 ZINC000926358173 627884534 /nfs/dbraw/zinc/88/45/34/627884534.db2.gz VQXHDCQWXXSTGR-OAHLLOKOSA-N 2 1 315.461 3.109 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926560943 627914746 /nfs/dbraw/zinc/91/47/46/627914746.db2.gz ULQHNDNNFGEFRY-MRXNPFEDSA-N 3 1 303.494 3.273 20 0 DGADMP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635351 627924464 /nfs/dbraw/zinc/92/44/64/627924464.db2.gz NTDATLLDBQTEFC-FYQPLNBISA-N 2 1 318.505 3.251 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCOc2ccccc2F)c2ccccc21 ZINC000817898323 627955623 /nfs/dbraw/zinc/95/56/23/627955623.db2.gz GEECVSIDCMJWTG-DLBZAZTESA-N 2 1 300.377 3.329 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000817902029 627957265 /nfs/dbraw/zinc/95/72/65/627957265.db2.gz GWBQZHAHXDMSLL-KHDYIWLOSA-N 2 1 321.424 3.367 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817902391 627957386 /nfs/dbraw/zinc/95/73/86/627957386.db2.gz PCHKTYTZSFJOJE-LPHOPBHVSA-N 2 1 311.473 3.191 20 0 DGADMP CC(C)CCN1CCC([NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000926798767 627957600 /nfs/dbraw/zinc/95/76/00/627957600.db2.gz WWFXCZWMVIWSQE-UHFFFAOYSA-N 2 1 309.542 3.349 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000817905997 627958268 /nfs/dbraw/zinc/95/82/68/627958268.db2.gz WUZIIRVLAZIJIR-KFWWJZLASA-N 2 1 317.260 3.276 20 0 DGADMP C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1C[NH2+]C1 ZINC000817910409 627959438 /nfs/dbraw/zinc/95/94/38/627959438.db2.gz GEIKDHIRONZJDP-VFNWGFHPSA-N 2 1 322.452 3.299 20 0 DGADMP CC[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817928431 627963884 /nfs/dbraw/zinc/96/38/84/627963884.db2.gz WSTGNAWQODVRGD-HSALFYBXSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817936709 627966407 /nfs/dbraw/zinc/96/64/07/627966407.db2.gz MAJVKRPIRQTOQN-IACUBPJLSA-N 2 1 301.261 3.118 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1-c1ccccc1 ZINC000817937220 627966735 /nfs/dbraw/zinc/96/67/35/627966735.db2.gz VPJQZEOTSMIQNM-OAHLLOKOSA-N 2 1 312.461 3.493 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1ccccc1 ZINC000817964639 627976756 /nfs/dbraw/zinc/97/67/56/627976756.db2.gz GWHJJKJSQYGYPR-DNVCBOLYSA-N 2 1 312.461 3.221 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1SC(F)F ZINC000817965881 627977439 /nfs/dbraw/zinc/97/74/39/627977439.db2.gz WJNAQRPQSZKBDL-JOYOIKCWSA-N 2 1 316.417 3.398 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(-c2ccccc2)c1 ZINC000817986495 627984367 /nfs/dbraw/zinc/98/43/67/627984367.db2.gz QQMULWUTFSYOGS-NVXWUHKLSA-N 2 1 310.445 3.198 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000926971347 627991294 /nfs/dbraw/zinc/99/12/94/627991294.db2.gz ALBDKHCWRACXQP-BRWVUGGUSA-N 2 1 313.445 3.141 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000927112831 628017655 /nfs/dbraw/zinc/01/76/55/628017655.db2.gz SLGNGXCLESRQGF-WCIQWLHISA-N 2 1 314.473 3.153 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)[C@H]2CCC[C@H]21 ZINC000927121376 628020801 /nfs/dbraw/zinc/02/08/01/628020801.db2.gz URNASAXFMOOSFN-WCIQWLHISA-N 2 1 314.473 3.155 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000818942960 628064176 /nfs/dbraw/zinc/06/41/76/628064176.db2.gz NGPQTJIVVBSLSC-FQEVSTJZSA-N 2 1 312.457 3.140 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000818959270 628067212 /nfs/dbraw/zinc/06/72/12/628067212.db2.gz HCFZPCQXOZAFCJ-BEFAXECRSA-N 2 1 322.468 3.269 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818959437 628067283 /nfs/dbraw/zinc/06/72/83/628067283.db2.gz KBKNJAAKTYAIFR-QAPCUYQASA-N 2 1 308.441 3.103 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000818961823 628067831 /nfs/dbraw/zinc/06/78/31/628067831.db2.gz VFBMOUAZRMEMEC-JTDSTZFVSA-N 2 1 322.468 3.207 20 0 DGADMP CCC(CC)(C[NH2+]C[C@H](O)C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000819065447 628085887 /nfs/dbraw/zinc/08/58/87/628085887.db2.gz IVBPGJPKMNJOGP-QAPCUYQASA-N 2 1 304.478 3.257 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819273772 628124618 /nfs/dbraw/zinc/12/46/18/628124618.db2.gz GEJSEIAXUIGTMQ-CTNGQTDRSA-N 2 1 324.468 3.140 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819285251 628127197 /nfs/dbraw/zinc/12/71/97/628127197.db2.gz ZMTSYHSJZBFXEQ-WOJBJXKFSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(C[NH+](C)C)c1 ZINC000820812810 628299474 /nfs/dbraw/zinc/29/94/74/628299474.db2.gz SUOBABVHEZGCRM-ZDUSSCGKSA-N 2 1 318.490 3.122 20 0 DGADMP OCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820810917 628299547 /nfs/dbraw/zinc/29/95/47/628299547.db2.gz HLZCBHZAERMUCZ-ZNBHLAFESA-N 2 1 314.473 3.248 20 0 DGADMP c1csc(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000821857654 628404598 /nfs/dbraw/zinc/40/45/98/628404598.db2.gz IUTOWHUKRDTPDC-QGZVFWFLSA-N 2 1 315.486 3.330 20 0 DGADMP ClC1(Cl)C[C@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822640315 628473230 /nfs/dbraw/zinc/47/32/30/628473230.db2.gz SIYLLBURXWKUGQ-ZIAGYGMSSA-N 2 1 305.293 3.378 20 0 DGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822640315 628473232 /nfs/dbraw/zinc/47/32/32/628473232.db2.gz SIYLLBURXWKUGQ-ZIAGYGMSSA-N 2 1 305.293 3.378 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659329 628475857 /nfs/dbraw/zinc/47/58/57/628475857.db2.gz OQQPWGYFOPBREW-ZIAGYGMSSA-N 2 1 323.308 3.003 20 0 DGADMP Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000824988754 628714294 /nfs/dbraw/zinc/71/42/94/628714294.db2.gz SDSNJMLVPPPZDF-MQVJKMGUSA-N 2 1 323.278 3.472 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000840808809 630360783 /nfs/dbraw/zinc/36/07/83/630360783.db2.gz FHTIJURYXXACTQ-PXNSSMCTSA-N 2 1 316.489 3.476 20 0 DGADMP CCCCCCOc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000841100914 630408035 /nfs/dbraw/zinc/40/80/35/630408035.db2.gz NUWWCVRXELMVFD-IBGZPJMESA-N 2 1 320.477 3.195 20 0 DGADMP CCCCCCOc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000841100914 630408038 /nfs/dbraw/zinc/40/80/38/630408038.db2.gz NUWWCVRXELMVFD-IBGZPJMESA-N 2 1 320.477 3.195 20 0 DGADMP [NH3+]CCCCCCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000842472506 630538665 /nfs/dbraw/zinc/53/86/65/630538665.db2.gz BTCSNWJQXMBFDL-IBGZPJMESA-N 2 1 304.478 3.268 20 0 DGADMP Clc1ccc(OC[C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000842472310 630538990 /nfs/dbraw/zinc/53/89/90/630538990.db2.gz WJBQDHXSXKNGNJ-HOCLYGCPSA-N 2 1 308.853 3.183 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000843047487 630608530 /nfs/dbraw/zinc/60/85/30/630608530.db2.gz PMMOHFWYXPZVLF-AWEZNQCLSA-N 2 1 324.428 3.004 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OCC ZINC000843055600 630609422 /nfs/dbraw/zinc/60/94/22/630609422.db2.gz HINMEVYXTWJZTQ-UHFFFAOYSA-N 2 1 306.450 3.186 20 0 DGADMP Cc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(-c2ccnn2C)c1 ZINC000843054747 630609546 /nfs/dbraw/zinc/60/95/46/630609546.db2.gz FNYMHWXGMUROIP-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CCCCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000843057593 630609611 /nfs/dbraw/zinc/60/96/11/630609611.db2.gz DOUPEAWABAYBTC-NUEKZKHPSA-N 2 1 324.900 3.204 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000843057593 630609613 /nfs/dbraw/zinc/60/96/13/630609613.db2.gz DOUPEAWABAYBTC-NUEKZKHPSA-N 2 1 324.900 3.204 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343006 630647795 /nfs/dbraw/zinc/64/77/95/630647795.db2.gz QLEQNYQYJWJKMS-HKUYNNGSSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343006 630647796 /nfs/dbraw/zinc/64/77/96/630647796.db2.gz QLEQNYQYJWJKMS-HKUYNNGSSA-N 3 1 303.494 3.006 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843352749 630648641 /nfs/dbraw/zinc/64/86/41/630648641.db2.gz LNHKOWHZYYVCQE-MXWWQKGMSA-N 2 1 317.477 3.340 20 0 DGADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000843358243 630649592 /nfs/dbraw/zinc/64/95/92/630649592.db2.gz IPSUIRUTFPKIER-PMACEKPBSA-N 2 1 316.489 3.354 20 0 DGADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000843358246 630649661 /nfs/dbraw/zinc/64/96/61/630649661.db2.gz IPSUIRUTFPKIER-WOJBJXKFSA-N 2 1 316.489 3.354 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCCCCO ZINC000843376418 630650927 /nfs/dbraw/zinc/65/09/27/630650927.db2.gz IAXLHYNMKVMDCY-PMACEKPBSA-N 2 1 318.505 3.211 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000844221995 630712960 /nfs/dbraw/zinc/71/29/60/630712960.db2.gz PZVFJWWUKUQNBN-LJQANCHMSA-N 3 1 309.542 3.484 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846109835 631210187 /nfs/dbraw/zinc/21/01/87/631210187.db2.gz WUXMLSZBCZPLBW-QGZVFWFLSA-N 2 1 324.415 3.248 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846796108 631307802 /nfs/dbraw/zinc/30/78/02/631307802.db2.gz FVHUUTFEECZHKD-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846796108 631307804 /nfs/dbraw/zinc/30/78/04/631307804.db2.gz FVHUUTFEECZHKD-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP C[C@@H]1C[C@H](CCNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000848989447 631799178 /nfs/dbraw/zinc/79/91/78/631799178.db2.gz QVCRHSCWVCKIJA-WBVHZDCISA-N 2 1 316.493 3.200 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000849027945 631812841 /nfs/dbraw/zinc/81/28/41/631812841.db2.gz ROHMLKTVGKNEKZ-INIZCTEOSA-N 2 1 318.465 3.284 20 0 DGADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)NC1CCCC1 ZINC000849076814 631827373 /nfs/dbraw/zinc/82/73/73/631827373.db2.gz XVDMRTUNJOOCIN-QGZVFWFLSA-N 2 1 306.498 3.088 20 0 DGADMP CCc1ccc([C@@H](CNC(=[NH2+])N(CC)CC)[NH+](CC)CC)cc1 ZINC000849103417 631836120 /nfs/dbraw/zinc/83/61/20/631836120.db2.gz NDYINQVZNPDINY-GOSISDBHSA-N 2 1 318.509 3.498 20 0 DGADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CCCCC1 ZINC000849105972 631836755 /nfs/dbraw/zinc/83/67/55/631836755.db2.gz LPJZMSUMQTYNHW-QGZVFWFLSA-N 2 1 306.498 3.230 20 0 DGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850343931 632120289 /nfs/dbraw/zinc/12/02/89/632120289.db2.gz YAKGHKIPVBIBEQ-OAHLLOKOSA-N 2 1 321.465 3.455 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367326 632127158 /nfs/dbraw/zinc/12/71/58/632127158.db2.gz DTJFULAZADQTQH-SFHVURJKSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425606 632148688 /nfs/dbraw/zinc/14/86/88/632148688.db2.gz VWSWOLKKQVVMFM-WBAXXEDZSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425606 632148690 /nfs/dbraw/zinc/14/86/90/632148690.db2.gz VWSWOLKKQVVMFM-WBAXXEDZSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425606 632148692 /nfs/dbraw/zinc/14/86/92/632148692.db2.gz VWSWOLKKQVVMFM-WBAXXEDZSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCCO2 ZINC000850425606 632148695 /nfs/dbraw/zinc/14/86/95/632148695.db2.gz VWSWOLKKQVVMFM-WBAXXEDZSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@]1(C[NH2+][C@H]2COC3(CCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000850467658 632161679 /nfs/dbraw/zinc/16/16/79/632161679.db2.gz ZGUMBUCBGYLQEE-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)[C@H]2CCC[C@H]21 ZINC000850514456 632175945 /nfs/dbraw/zinc/17/59/45/632175945.db2.gz FWYNESNEUBBFOW-MHTWAQMVSA-N 2 1 324.468 3.336 20 0 DGADMP Fc1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000851726382 632475593 /nfs/dbraw/zinc/47/55/93/632475593.db2.gz PXDGCTNRSJDLBT-UHFFFAOYSA-N 2 1 305.441 3.309 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOC(F)F)CC1 ZINC000851748372 632484113 /nfs/dbraw/zinc/48/41/13/632484113.db2.gz QJYZYVGZHXXWSF-UHFFFAOYSA-N 2 1 312.404 3.070 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1)CC1CC1 ZINC000851889395 632514651 /nfs/dbraw/zinc/51/46/51/632514651.db2.gz HSFDZKDZPLEBDR-RBUKOAKNSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1ccc([C@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852115562 632558315 /nfs/dbraw/zinc/55/83/15/632558315.db2.gz QMKFHDAXZGVKQT-OAQYLSRUSA-N 2 1 324.468 3.283 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2cccnc2)CC1 ZINC000929298746 661295230 /nfs/dbraw/zinc/29/52/30/661295230.db2.gz YHRBIFLAUAGKPB-UHFFFAOYSA-N 2 1 303.494 3.458 20 0 DGADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793206477 661012532 /nfs/dbraw/zinc/01/25/32/661012532.db2.gz IOLLBIAOFBLQNO-QGZVFWFLSA-N 2 1 313.420 3.141 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(C)c1OC(F)F ZINC000261938355 655708535 /nfs/dbraw/zinc/70/85/35/655708535.db2.gz DKSOYGCWRJCNEM-UHFFFAOYSA-N 2 1 324.415 3.480 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795928951 661179862 /nfs/dbraw/zinc/17/98/62/661179862.db2.gz VQNLRGJUJVPNSN-GOSISDBHSA-N 2 1 324.509 3.164 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795928951 661179864 /nfs/dbraw/zinc/17/98/64/661179864.db2.gz VQNLRGJUJVPNSN-GOSISDBHSA-N 2 1 324.509 3.164 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795905235 661178287 /nfs/dbraw/zinc/17/82/87/661178287.db2.gz YSEUMSDCWGOSDD-MRXNPFEDSA-N 2 1 324.509 3.020 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795905235 661178289 /nfs/dbraw/zinc/17/82/89/661178289.db2.gz YSEUMSDCWGOSDD-MRXNPFEDSA-N 2 1 324.509 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC ZINC001024752038 655935781 /nfs/dbraw/zinc/93/57/81/655935781.db2.gz ODQXUCWQUAJMQF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC ZINC001024752038 655935782 /nfs/dbraw/zinc/93/57/82/655935782.db2.gz ODQXUCWQUAJMQF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC ZINC001024752038 655935783 /nfs/dbraw/zinc/93/57/83/655935783.db2.gz ODQXUCWQUAJMQF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000715471763 661211191 /nfs/dbraw/zinc/21/11/91/661211191.db2.gz WCJNFSKQYYGPSL-PMACEKPBSA-N 2 1 314.473 3.198 20 0 DGADMP COc1cccc2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)oc21 ZINC000092253529 656070732 /nfs/dbraw/zinc/07/07/32/656070732.db2.gz ZCEIGFLCZFUWFT-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)oc21 ZINC000092253529 656070734 /nfs/dbraw/zinc/07/07/34/656070734.db2.gz ZCEIGFLCZFUWFT-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cccc2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)oc21 ZINC000092253529 656070735 /nfs/dbraw/zinc/07/07/35/656070735.db2.gz ZCEIGFLCZFUWFT-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cccc2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)oc21 ZINC000092253529 656070737 /nfs/dbraw/zinc/07/07/37/656070737.db2.gz ZCEIGFLCZFUWFT-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)C1 ZINC000930553634 656093174 /nfs/dbraw/zinc/09/31/74/656093174.db2.gz AFEVYBRQGGZDCL-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000309748658 656117509 /nfs/dbraw/zinc/11/75/09/656117509.db2.gz VHVOAGZPOWJZTO-ZWKOTPCHSA-N 2 1 304.503 3.384 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC)CC1 ZINC001052860562 656777554 /nfs/dbraw/zinc/77/75/54/656777554.db2.gz UUPWYRYTEHHLIA-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC)CC1 ZINC001052860562 656777556 /nfs/dbraw/zinc/77/75/56/656777556.db2.gz UUPWYRYTEHHLIA-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC)CC1 ZINC001052860562 656777557 /nfs/dbraw/zinc/77/75/57/656777557.db2.gz UUPWYRYTEHHLIA-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)C1CC[NH2+]CC1 ZINC000261646180 656942067 /nfs/dbraw/zinc/94/20/67/656942067.db2.gz APLWNMMMDILERC-UHFFFAOYSA-N 2 1 318.490 3.113 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000261883942 657159135 /nfs/dbraw/zinc/15/91/35/657159135.db2.gz MWCWOGYNNOBVFC-ZLIFDBKOSA-N 2 1 310.397 3.253 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000261883937 657159225 /nfs/dbraw/zinc/15/92/25/657159225.db2.gz MWCWOGYNNOBVFC-AFAVFJNCSA-N 2 1 310.397 3.253 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957359 657256603 /nfs/dbraw/zinc/25/66/03/657256603.db2.gz OTWVTFDUIITHHP-JSGCOSHPSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957359 657256609 /nfs/dbraw/zinc/25/66/09/657256609.db2.gz OTWVTFDUIITHHP-JSGCOSHPSA-N 2 1 308.853 3.298 20 0 DGADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000261999359 657278937 /nfs/dbraw/zinc/27/89/37/657278937.db2.gz PCQIGHZKRBNCHC-GFCCVEGCSA-N 2 1 320.462 3.181 20 0 DGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ccccc12 ZINC000262014905 657290646 /nfs/dbraw/zinc/29/06/46/657290646.db2.gz MPGFWCIDZWBBDX-UHFFFAOYSA-N 2 1 310.441 3.424 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000895377402 657443293 /nfs/dbraw/zinc/44/32/93/657443293.db2.gz FTIMULMGZLDQPX-KXBFYZLASA-N 2 1 312.461 3.182 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000895377402 657443296 /nfs/dbraw/zinc/44/32/96/657443296.db2.gz FTIMULMGZLDQPX-KXBFYZLASA-N 2 1 312.461 3.182 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000320797534 657845431 /nfs/dbraw/zinc/84/54/31/657845431.db2.gz OYSZWQARUZDFKW-GUMHCPJTSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000320797534 657845440 /nfs/dbraw/zinc/84/54/40/657845440.db2.gz OYSZWQARUZDFKW-GUMHCPJTSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826843 658225331 /nfs/dbraw/zinc/22/53/31/658225331.db2.gz UYLQSOWMKGCTSY-SFNKJDCFSA-N 2 1 315.505 3.285 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826843 658225336 /nfs/dbraw/zinc/22/53/36/658225336.db2.gz UYLQSOWMKGCTSY-SFNKJDCFSA-N 2 1 315.505 3.285 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 ZINC000720883905 658228201 /nfs/dbraw/zinc/22/82/01/658228201.db2.gz YWNDSWYNRFUTKS-YSIASYRMSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683184 658561861 /nfs/dbraw/zinc/56/18/61/658561861.db2.gz HJZXWNCWVAGWEB-IEZWGBDMSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683184 658561865 /nfs/dbraw/zinc/56/18/65/658561865.db2.gz HJZXWNCWVAGWEB-IEZWGBDMSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C[C@@H]1C[NH3+] ZINC000163914291 658909340 /nfs/dbraw/zinc/90/93/40/658909340.db2.gz GNSGLQZIRXOXLY-WFASDCNBSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C[C@@H]1C[NH3+] ZINC000163914291 658909344 /nfs/dbraw/zinc/90/93/44/658909344.db2.gz GNSGLQZIRXOXLY-WFASDCNBSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1ccc(-c2cnn(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000164722896 658943276 /nfs/dbraw/zinc/94/32/76/658943276.db2.gz ZVSCAYJIOHFFPH-UYAOXDASSA-N 2 1 324.472 3.232 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@@H]21 ZINC000230047534 659297803 /nfs/dbraw/zinc/29/78/03/659297803.db2.gz ASHHIGFUGGQNOX-VHDGCEQUSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@@H]21 ZINC000230047534 659297806 /nfs/dbraw/zinc/29/78/06/659297806.db2.gz ASHHIGFUGGQNOX-VHDGCEQUSA-N 2 1 309.251 3.008 20 0 DGADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250077004 659676362 /nfs/dbraw/zinc/67/63/62/659676362.db2.gz FBYPXONYXQMGTL-FVQBIDKESA-N 2 1 323.278 3.459 20 0 DGADMP Cc1[nH]c(CN(C)C2CC[NH+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000929981724 659870993 /nfs/dbraw/zinc/87/09/93/659870993.db2.gz LIBAVSPXEMCCJQ-UHFFFAOYSA-N 2 1 312.461 3.123 20 0 DGADMP c1cc(SCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000930060492 659901693 /nfs/dbraw/zinc/90/16/93/659901693.db2.gz JNDNNXHESGXQCD-CRAIPNDOSA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000930060492 659901694 /nfs/dbraw/zinc/90/16/94/659901694.db2.gz JNDNNXHESGXQCD-CRAIPNDOSA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000930060492 659901695 /nfs/dbraw/zinc/90/16/95/659901695.db2.gz JNDNNXHESGXQCD-CRAIPNDOSA-N 2 1 317.502 3.122 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CCN1C ZINC000929779482 661338000 /nfs/dbraw/zinc/33/80/00/661338000.db2.gz ADVRLQAECYCZQD-HOTGVXAUSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929779482 661338001 /nfs/dbraw/zinc/33/80/01/661338001.db2.gz ADVRLQAECYCZQD-HOTGVXAUSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929779482 661338005 /nfs/dbraw/zinc/33/80/05/661338005.db2.gz ADVRLQAECYCZQD-HOTGVXAUSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779482 661338007 /nfs/dbraw/zinc/33/80/07/661338007.db2.gz ADVRLQAECYCZQD-HOTGVXAUSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779482 661338010 /nfs/dbraw/zinc/33/80/10/661338010.db2.gz ADVRLQAECYCZQD-HOTGVXAUSA-N 2 1 324.509 3.303 20 0 DGADMP CCN1CC[C@H]([N@@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)C[C@H]1C ZINC000929782506 661338159 /nfs/dbraw/zinc/33/81/59/661338159.db2.gz VVKXMVRINGDLCB-INMHGKMJSA-N 2 1 318.461 3.016 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929791554 661338639 /nfs/dbraw/zinc/33/86/39/661338639.db2.gz SQJSKSWFCXRDFO-DJIMGWMZSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929791554 661338641 /nfs/dbraw/zinc/33/86/41/661338641.db2.gz SQJSKSWFCXRDFO-DJIMGWMZSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929791554 661338643 /nfs/dbraw/zinc/33/86/43/661338643.db2.gz SQJSKSWFCXRDFO-DJIMGWMZSA-N 2 1 308.416 3.309 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930095567 661365935 /nfs/dbraw/zinc/36/59/35/661365935.db2.gz YJOWAIBTIDZJKX-HNNXBMFYSA-N 2 1 308.385 3.065 20 0 DGADMP Cc1nc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)sc1C(C)(C)C ZINC000930093457 661366004 /nfs/dbraw/zinc/36/60/04/661366004.db2.gz KVRGUFDDVUNIAC-CYBMUJFWSA-N 2 1 318.490 3.472 20 0 DGADMP Cc1nc(CN2CC[C@@H](c3nccn3C)C2)sc1C(C)(C)C ZINC000930093457 661366006 /nfs/dbraw/zinc/36/60/06/661366006.db2.gz KVRGUFDDVUNIAC-CYBMUJFWSA-N 2 1 318.490 3.472 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3coc(C(C)(C)C)n3)C2)CC1 ZINC000930310048 661387530 /nfs/dbraw/zinc/38/75/30/661387530.db2.gz RENLVBZGKVREHY-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3coc(C(C)(C)C)n3)C2)CC1 ZINC000930310048 661387531 /nfs/dbraw/zinc/38/75/31/661387531.db2.gz RENLVBZGKVREHY-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP C[N@@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460024 661400775 /nfs/dbraw/zinc/40/07/75/661400775.db2.gz KRHLFGRHIFPWCM-JSPOSNOBSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460024 661400777 /nfs/dbraw/zinc/40/07/77/661400777.db2.gz KRHLFGRHIFPWCM-JSPOSNOBSA-N 2 1 320.399 3.043 20 0 DGADMP C[NH+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460024 661400779 /nfs/dbraw/zinc/40/07/79/661400779.db2.gz KRHLFGRHIFPWCM-JSPOSNOBSA-N 2 1 320.399 3.043 20 0 DGADMP CCCC[N@@H+](CCC(OC)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033641 661446920 /nfs/dbraw/zinc/44/69/20/661446920.db2.gz JMLTYPAPWZNVCJ-UHFFFAOYSA-N 2 1 314.514 3.407 20 0 DGADMP Cc1ccccc1CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287958 661464467 /nfs/dbraw/zinc/46/44/67/661464467.db2.gz FCLUGDNAPHZUFA-UHFFFAOYSA-N 2 1 316.489 3.114 20 0 DGADMP Cc1ccccc1CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287958 661464468 /nfs/dbraw/zinc/46/44/68/661464468.db2.gz FCLUGDNAPHZUFA-UHFFFAOYSA-N 2 1 316.489 3.114 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC(N3CCCOCC3)CC2)c(C)c1 ZINC000931289917 661464696 /nfs/dbraw/zinc/46/46/96/661464696.db2.gz FORGGFSTRVRMOR-UHFFFAOYSA-N 2 1 316.489 3.299 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c(C)c1 ZINC000931289917 661464697 /nfs/dbraw/zinc/46/46/97/661464697.db2.gz FORGGFSTRVRMOR-UHFFFAOYSA-N 2 1 316.489 3.299 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c(C)c1 ZINC000931289917 661464699 /nfs/dbraw/zinc/46/46/99/661464699.db2.gz FORGGFSTRVRMOR-UHFFFAOYSA-N 2 1 316.489 3.299 20 0 DGADMP C[NH+]1C[C@@]2(C)C[NH+](CCSCc3ccccc3)C[C@]2(C)C1 ZINC000931315071 661466037 /nfs/dbraw/zinc/46/60/37/661466037.db2.gz UAUUTIJETDJDBD-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](C3CC(OCc4ccccc4)C3)C[C@]2(C)C1 ZINC000931313691 661466180 /nfs/dbraw/zinc/46/61/80/661466180.db2.gz FPPLNBVZDJCRLI-KHSMEXAKSA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](C3CC(OCc4ccccc4)C3)C[C@]2(C)C1 ZINC000931313691 661466182 /nfs/dbraw/zinc/46/61/82/661466182.db2.gz FPPLNBVZDJCRLI-KHSMEXAKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](C3CC(OCc4ccccc4)C3)C[C@]2(C)C1 ZINC000931313691 661466183 /nfs/dbraw/zinc/46/61/83/661466183.db2.gz FPPLNBVZDJCRLI-KHSMEXAKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](C3CC(OCc4ccccc4)C3)C[C@]2(C)C1 ZINC000931313691 661466185 /nfs/dbraw/zinc/46/61/85/661466185.db2.gz FPPLNBVZDJCRLI-KHSMEXAKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000931353111 661469897 /nfs/dbraw/zinc/46/98/97/661469897.db2.gz ALRJDQLATABVHG-ROUUACIJSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371186 661471324 /nfs/dbraw/zinc/47/13/24/661471324.db2.gz VRTMEGRQJGIPTH-HOTGVXAUSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371186 661471325 /nfs/dbraw/zinc/47/13/25/661471325.db2.gz VRTMEGRQJGIPTH-HOTGVXAUSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371186 661471327 /nfs/dbraw/zinc/47/13/27/661471327.db2.gz VRTMEGRQJGIPTH-HOTGVXAUSA-N 2 1 312.461 3.227 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSc3cccc(Cl)c3)C[C@@H]2C1 ZINC000931441362 661476492 /nfs/dbraw/zinc/47/64/92/661476492.db2.gz GSPHALWBMONBEH-KGLIPLIRSA-N 2 1 310.894 3.316 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCSc3cccc(Cl)c3)C[C@@H]2C1 ZINC000931441362 661476494 /nfs/dbraw/zinc/47/64/94/661476494.db2.gz GSPHALWBMONBEH-KGLIPLIRSA-N 2 1 310.894 3.316 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)C[C@@H]2C1 ZINC000931441362 661476496 /nfs/dbraw/zinc/47/64/96/661476496.db2.gz GSPHALWBMONBEH-KGLIPLIRSA-N 2 1 310.894 3.316 20 0 DGADMP Cc1nc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)sc1C(C)(C)C ZINC000931443401 661476762 /nfs/dbraw/zinc/47/67/62/661476762.db2.gz WVGUYPYAOOSAPI-KGLIPLIRSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)sc1C(C)(C)C ZINC000931443401 661476765 /nfs/dbraw/zinc/47/67/65/661476765.db2.gz WVGUYPYAOOSAPI-KGLIPLIRSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)sc1C(C)(C)C ZINC000931443401 661476766 /nfs/dbraw/zinc/47/67/66/661476766.db2.gz WVGUYPYAOOSAPI-KGLIPLIRSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)sc1C(C)(C)C ZINC000931443401 661476769 /nfs/dbraw/zinc/47/67/69/661476769.db2.gz WVGUYPYAOOSAPI-KGLIPLIRSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1cc(C)nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000931561780 661489043 /nfs/dbraw/zinc/48/90/43/661489043.db2.gz LWXPKCPMROKBBH-UHFFFAOYSA-N 2 1 303.494 3.498 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](CCCc2cccnc2)CC1 ZINC000931611246 661492595 /nfs/dbraw/zinc/49/25/95/661492595.db2.gz JUWALAZJYRQSBA-UHFFFAOYSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC000931765407 661506135 /nfs/dbraw/zinc/50/61/35/661506135.db2.gz WYWUBTWNXZMDTQ-WMZOPIPTSA-N 2 1 315.461 3.084 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191208 661547161 /nfs/dbraw/zinc/54/71/61/661547161.db2.gz KXZPEJNBDXFZPJ-LSDHHAIUSA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191208 661547163 /nfs/dbraw/zinc/54/71/63/661547163.db2.gz KXZPEJNBDXFZPJ-LSDHHAIUSA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191208 661547164 /nfs/dbraw/zinc/54/71/64/661547164.db2.gz KXZPEJNBDXFZPJ-LSDHHAIUSA-N 2 1 319.518 3.296 20 0 DGADMP CC(C)(O)CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933550709 661640541 /nfs/dbraw/zinc/64/05/41/661640541.db2.gz QDWILFFWCBJJIU-UHFFFAOYSA-N 2 1 316.489 3.235 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCn2ccnc2C)nc1 ZINC000934344224 661700362 /nfs/dbraw/zinc/70/03/62/661700362.db2.gz WTASSSJNKQRWGT-SFHVURJKSA-N 2 1 314.433 3.212 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)nc1 ZINC000934344224 661700364 /nfs/dbraw/zinc/70/03/64/661700364.db2.gz WTASSSJNKQRWGT-SFHVURJKSA-N 2 1 314.433 3.212 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)nc1 ZINC000934344224 661700367 /nfs/dbraw/zinc/70/03/67/661700367.db2.gz WTASSSJNKQRWGT-SFHVURJKSA-N 2 1 314.433 3.212 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934561307 661715478 /nfs/dbraw/zinc/71/54/78/661715478.db2.gz DIKBDYHXTGXSAC-HUUCEWRRSA-N 2 1 315.465 3.175 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000935761725 661808246 /nfs/dbraw/zinc/80/82/46/661808246.db2.gz VSPWVGRPTVHYPY-INIZCTEOSA-N 2 1 323.868 3.213 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000935761725 661808248 /nfs/dbraw/zinc/80/82/48/661808248.db2.gz VSPWVGRPTVHYPY-INIZCTEOSA-N 2 1 323.868 3.213 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1csc(Br)c1 ZINC000042365848 661840346 /nfs/dbraw/zinc/84/03/46/661840346.db2.gz QQHXNGZRHRWMKQ-UHFFFAOYSA-N 2 1 305.285 3.462 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000249007207 662362951 /nfs/dbraw/zinc/36/29/51/662362951.db2.gz JEKLLXMSWZMCNC-RTBURBONSA-N 2 1 322.468 3.446 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccc(CO)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000383464438 685166752 /nfs/dbraw/zinc/16/67/52/685166752.db2.gz KDGGSYALNMSVMD-OAQYLSRUSA-N 2 1 324.468 3.181 20 0 DGADMP Cc1sc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Br ZINC000392281935 685213576 /nfs/dbraw/zinc/21/35/76/685213576.db2.gz JAKNJWZKGPMUPY-UHFFFAOYSA-N 2 1 315.280 3.171 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507813 686671186 /nfs/dbraw/zinc/67/11/86/686671186.db2.gz CAQJIALWLCKNOI-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001620779517 1191860903 /nfs/dbraw/zinc/86/09/03/1191860903.db2.gz DTSZPUWKDLGXKL-QGZVFWFLSA-N 2 1 324.472 3.354 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001620779517 1191860906 /nfs/dbraw/zinc/86/09/06/1191860906.db2.gz DTSZPUWKDLGXKL-QGZVFWFLSA-N 2 1 324.472 3.354 20 0 DGADMP C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576731591 1191866645 /nfs/dbraw/zinc/86/66/45/1191866645.db2.gz MKMDBRATMOFUQI-QAETUUGQSA-N 2 1 324.509 3.051 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576857226 1191871308 /nfs/dbraw/zinc/87/13/08/1191871308.db2.gz ZUAYFRWFBSUPKJ-GFOFROLCSA-N 2 1 308.853 3.229 20 0 DGADMP CC[C@@](C)(O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001576959028 1191877904 /nfs/dbraw/zinc/87/79/04/1191877904.db2.gz BAKJYIFOVUJUMT-PKOBYXMFSA-N 2 1 304.478 3.039 20 0 DGADMP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001576981614 1191878552 /nfs/dbraw/zinc/87/85/52/1191878552.db2.gz KEYOYJJUXWKONT-NHYWBVRUSA-N 2 1 311.857 3.104 20 0 DGADMP CC[C@@H](O)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC001577181820 1191887992 /nfs/dbraw/zinc/88/79/92/1191887992.db2.gz IKBUDTXNADBXJP-RAFMOHDBSA-N 2 1 316.489 3.180 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001578179455 1191929518 /nfs/dbraw/zinc/92/95/18/1191929518.db2.gz LHRNAPREQOQOBS-YOEHRIQHSA-N 2 1 308.853 3.300 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001578179455 1191929523 /nfs/dbraw/zinc/92/95/23/1191929523.db2.gz LHRNAPREQOQOBS-YOEHRIQHSA-N 2 1 308.853 3.300 20 0 DGADMP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CCC([NH3+])CC1 ZINC001578489542 1191946097 /nfs/dbraw/zinc/94/60/97/1191946097.db2.gz WLGLXRFZTUFAMG-UHFFFAOYSA-N 2 1 318.461 3.344 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(OC(F)F)cc1C ZINC001620786099 1191957091 /nfs/dbraw/zinc/95/70/91/1191957091.db2.gz XTTUAOMXBUXFFF-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(OC(F)F)cc1C ZINC001620786099 1191957094 /nfs/dbraw/zinc/95/70/94/1191957094.db2.gz XTTUAOMXBUXFFF-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1 ZINC001578908593 1191960977 /nfs/dbraw/zinc/96/09/77/1191960977.db2.gz AKGXFBZVUKBRKP-IRXDYDNUSA-N 2 1 308.853 3.103 20 0 DGADMP COCC[C@@H]([NH3+])C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001579002926 1191963807 /nfs/dbraw/zinc/96/38/07/1191963807.db2.gz VPTRXVFQHJSKAD-GOSISDBHSA-N 2 1 312.457 3.383 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1CC[NH3+] ZINC001579440719 1191976760 /nfs/dbraw/zinc/97/67/60/1191976760.db2.gz WBJIWMUVMLMWEW-RHSMWYFYSA-N 2 1 318.461 3.059 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC001579579337 1191980485 /nfs/dbraw/zinc/98/04/85/1191980485.db2.gz FJHTYJCUUFRDTR-HZPDHXFCSA-N 2 1 314.395 3.305 20 0 DGADMP Cc1cc(NCC2(C[NH3+])CCC2)c[nH+]c1N1CCCC[C@H]1C ZINC001579636141 1191983800 /nfs/dbraw/zinc/98/38/00/1191983800.db2.gz TUZLBLFATSDFNO-OAHLLOKOSA-N 2 1 302.466 3.310 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001579656633 1191984746 /nfs/dbraw/zinc/98/47/46/1191984746.db2.gz ZOZKGMDTDBXLRL-GOSISDBHSA-N 2 1 312.461 3.192 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001579887478 1191998402 /nfs/dbraw/zinc/99/84/02/1191998402.db2.gz CIFDTVHPEIHNJD-MRXNPFEDSA-N 2 1 307.507 3.368 20 0 DGADMP Clc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C3C[NH2+]C3)no2)c1 ZINC001579938780 1192000136 /nfs/dbraw/zinc/00/01/36/1192000136.db2.gz LJTTVOZLJRBHHT-QGZVFWFLSA-N 2 1 317.820 3.352 20 0 DGADMP Clc1cccc([C@H]2CCC[N@H+]2Cc2cc(C3C[NH2+]C3)no2)c1 ZINC001579938780 1192000138 /nfs/dbraw/zinc/00/01/38/1192000138.db2.gz LJTTVOZLJRBHHT-QGZVFWFLSA-N 2 1 317.820 3.352 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)C12CCC2 ZINC001580164817 1192011192 /nfs/dbraw/zinc/01/11/92/1192011192.db2.gz SAPNLMWGEVDCNE-RTBURBONSA-N 2 1 323.440 3.020 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC001580215072 1192014309 /nfs/dbraw/zinc/01/43/09/1192014309.db2.gz BXGJCWCTNVOCAO-SLFFLAALSA-N 2 1 314.473 3.351 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC[C@@H]1C(F)(F)F ZINC001580274236 1192018350 /nfs/dbraw/zinc/01/83/50/1192018350.db2.gz HQFIKPRYJFJXED-KBPBESRZSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CC[C@@H]1C(F)(F)F ZINC001580274236 1192018352 /nfs/dbraw/zinc/01/83/52/1192018352.db2.gz HQFIKPRYJFJXED-KBPBESRZSA-N 2 1 311.351 3.127 20 0 DGADMP O[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001580878439 1192043549 /nfs/dbraw/zinc/04/35/49/1192043549.db2.gz OXCSPVOSNGJLDD-PZJWPPBQSA-N 2 1 324.468 3.222 20 0 DGADMP c1c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC001580888763 1192043800 /nfs/dbraw/zinc/04/38/00/1192043800.db2.gz YGKGLJBSMDNKTC-LSDHHAIUSA-N 2 1 320.502 3.032 20 0 DGADMP OC[C@H](C1CCC1)[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC001580882638 1192044202 /nfs/dbraw/zinc/04/42/02/1192044202.db2.gz WAQBAFXUGOLDSJ-UYAOXDASSA-N 2 1 316.489 3.039 20 0 DGADMP CC(C)C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC001620883088 1192533409 /nfs/dbraw/zinc/53/34/09/1192533409.db2.gz NWVYEXRTYUMWPQ-HDICACEKSA-N 2 1 318.505 3.441 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC001620886161 1192537394 /nfs/dbraw/zinc/53/73/94/1192537394.db2.gz ZRYKHUWPDRVTOV-GOSISDBHSA-N 2 1 311.429 3.323 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCSCC1 ZINC000093336798 1176096271 /nfs/dbraw/zinc/09/62/71/1176096271.db2.gz YCCRJSJDPWSSKO-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000093336798 1176096279 /nfs/dbraw/zinc/09/62/79/1176096279.db2.gz YCCRJSJDPWSSKO-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000093336798 1176096289 /nfs/dbraw/zinc/09/62/89/1176096289.db2.gz YCCRJSJDPWSSKO-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC000228837818 1176234665 /nfs/dbraw/zinc/23/46/65/1176234665.db2.gz DTOYTLSMRDPHTI-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC000228837818 1176234669 /nfs/dbraw/zinc/23/46/69/1176234669.db2.gz DTOYTLSMRDPHTI-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP CCc1nc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000379680646 1176816469 /nfs/dbraw/zinc/81/64/69/1176816469.db2.gz NJLATSAOTIEYGC-INIZCTEOSA-N 2 1 312.461 3.092 20 0 DGADMP CCc1nc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000379680646 1176816481 /nfs/dbraw/zinc/81/64/81/1176816481.db2.gz NJLATSAOTIEYGC-INIZCTEOSA-N 2 1 312.461 3.092 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000229060132 1177596344 /nfs/dbraw/zinc/59/63/44/1177596344.db2.gz JLLAQHKPPARNBE-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000229060132 1177596349 /nfs/dbraw/zinc/59/63/49/1177596349.db2.gz JLLAQHKPPARNBE-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc([Si](C)(C)C)cc3)C[C@H]2CC1 ZINC001275477695 1177930407 /nfs/dbraw/zinc/93/04/07/1177930407.db2.gz UNVZMQITUKSKRS-HDICACEKSA-N 2 1 316.565 3.005 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc([Si](C)(C)C)cc3)C[C@H]2CC1 ZINC001275477695 1177930414 /nfs/dbraw/zinc/93/04/14/1177930414.db2.gz UNVZMQITUKSKRS-HDICACEKSA-N 2 1 316.565 3.005 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc([Si](C)(C)C)cc3)C[C@H]2CC1 ZINC001275477695 1177930419 /nfs/dbraw/zinc/93/04/19/1177930419.db2.gz UNVZMQITUKSKRS-HDICACEKSA-N 2 1 316.565 3.005 20 0 DGADMP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001332217455 1178394998 /nfs/dbraw/zinc/39/49/98/1178394998.db2.gz HMSRCFPBWRGIGM-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001332217455 1178395003 /nfs/dbraw/zinc/39/50/03/1178395003.db2.gz HMSRCFPBWRGIGM-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001332217455 1178395010 /nfs/dbraw/zinc/39/50/10/1178395010.db2.gz HMSRCFPBWRGIGM-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP Cc1cc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc(C)[nH+]1 ZINC001332659020 1178469095 /nfs/dbraw/zinc/46/90/95/1178469095.db2.gz MOGXEXGOVVJAFQ-GOSISDBHSA-N 2 1 323.440 3.182 20 0 DGADMP Cc1cc(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cc(C)[nH+]1 ZINC001332659020 1178469100 /nfs/dbraw/zinc/46/91/00/1178469100.db2.gz MOGXEXGOVVJAFQ-GOSISDBHSA-N 2 1 323.440 3.182 20 0 DGADMP COC/C(C)=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001332917899 1178521311 /nfs/dbraw/zinc/52/13/11/1178521311.db2.gz BQMNWABWSCSURU-SFHJGQDNSA-N 2 1 302.462 3.079 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)nc2)[C@H](C)C1 ZINC001332923181 1178522880 /nfs/dbraw/zinc/52/28/80/1178522880.db2.gz ZQAKAJMBKHKLSW-INMHGKMJSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)nc2)[C@H](C)C1 ZINC001332923181 1178522884 /nfs/dbraw/zinc/52/28/84/1178522884.db2.gz ZQAKAJMBKHKLSW-INMHGKMJSA-N 2 1 323.456 3.008 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC001333028826 1178542251 /nfs/dbraw/zinc/54/22/51/1178542251.db2.gz IFXWSILNPZXCBI-AWEZNQCLSA-N 2 1 304.413 3.453 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC001333028826 1178542254 /nfs/dbraw/zinc/54/22/54/1178542254.db2.gz IFXWSILNPZXCBI-AWEZNQCLSA-N 2 1 304.413 3.453 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1c[nH]nc1C(C)(C)C ZINC001333735347 1178662866 /nfs/dbraw/zinc/66/28/66/1178662866.db2.gz WVTDBOBEDQRVDK-UHFFFAOYSA-N 2 1 306.498 3.405 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc4c(s3)CCCC4)C[C@H]2C1 ZINC001333839720 1178683184 /nfs/dbraw/zinc/68/31/84/1178683184.db2.gz BNYCJVZOIOPCQM-RRFJBIMHSA-N 2 1 319.518 3.184 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001335393269 1178904396 /nfs/dbraw/zinc/90/43/96/1178904396.db2.gz ITJJKLKZAFOCIU-WWTUQBGBSA-N 2 1 304.482 3.222 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001335393269 1178904401 /nfs/dbraw/zinc/90/44/01/1178904401.db2.gz ITJJKLKZAFOCIU-WWTUQBGBSA-N 2 1 304.482 3.222 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)C[C@@H]2C1 ZINC001335581912 1178932778 /nfs/dbraw/zinc/93/27/78/1178932778.db2.gz HOVIAIRAPJQILF-VSZNYVQBSA-N 2 1 314.473 3.215 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001342160635 1179111441 /nfs/dbraw/zinc/11/14/41/1179111441.db2.gz MCQOFJVPBONHPN-SZMVWBNQSA-N 2 1 317.477 3.175 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC001342338496 1179131198 /nfs/dbraw/zinc/13/11/98/1179131198.db2.gz SITAJKTVJFQHJR-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187808 1179242465 /nfs/dbraw/zinc/24/24/65/1179242465.db2.gz IZTGXIZKKZVSRZ-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187808 1179242471 /nfs/dbraw/zinc/24/24/71/1179242471.db2.gz IZTGXIZKKZVSRZ-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187808 1179242473 /nfs/dbraw/zinc/24/24/73/1179242473.db2.gz IZTGXIZKKZVSRZ-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187808 1179242479 /nfs/dbraw/zinc/24/24/79/1179242479.db2.gz IZTGXIZKKZVSRZ-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187808 1179242482 /nfs/dbraw/zinc/24/24/82/1179242482.db2.gz IZTGXIZKKZVSRZ-HXUWFJFHSA-N 2 1 323.440 3.402 20 0 DGADMP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001343333450 1179258370 /nfs/dbraw/zinc/25/83/70/1179258370.db2.gz OJGSMXDYSUSZTJ-ZNMIVQPWSA-N 2 1 307.507 3.429 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC001345100633 1179526268 /nfs/dbraw/zinc/52/62/68/1179526268.db2.gz SOIXYMLXUAATOB-OAGGEKHMSA-N 2 1 312.461 3.130 20 0 DGADMP CC(C)(c1nc([C@@H]([NH3+])c2ccccc2)no1)[C@H]([NH3+])c1ccccc1 ZINC001349297652 1179888178 /nfs/dbraw/zinc/88/81/78/1179888178.db2.gz AHBFVLBDOCKXTI-JKSUJKDBSA-N 2 1 322.412 3.095 20 0 DGADMP FC(F)(F)CCC[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001351974582 1180270861 /nfs/dbraw/zinc/27/08/61/1180270861.db2.gz AMXVRHUHHMSJQP-UHFFFAOYSA-N 2 1 300.368 3.367 20 0 DGADMP FC(F)(F)CCC[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001351974582 1180270865 /nfs/dbraw/zinc/27/08/65/1180270865.db2.gz AMXVRHUHHMSJQP-UHFFFAOYSA-N 2 1 300.368 3.367 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC001200243634 1180479061 /nfs/dbraw/zinc/47/90/61/1180479061.db2.gz LMGYYWYMRVNOBL-MJGOQNOKSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001353272405 1180514750 /nfs/dbraw/zinc/51/47/50/1180514750.db2.gz HLWJKMCXZNYDTF-HNNXBMFYSA-N 2 1 319.276 3.347 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001353272405 1180514753 /nfs/dbraw/zinc/51/47/53/1180514753.db2.gz HLWJKMCXZNYDTF-HNNXBMFYSA-N 2 1 319.276 3.347 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC001354206331 1180744605 /nfs/dbraw/zinc/74/46/05/1180744605.db2.gz YKLRWIYDCCMGNY-HOTGVXAUSA-N 2 1 304.478 3.297 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC001363859505 1181677856 /nfs/dbraw/zinc/67/78/56/1181677856.db2.gz VELOAGNDEPZVQT-UHFFFAOYSA-N 2 1 317.408 3.042 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459644564 1182601880 /nfs/dbraw/zinc/60/18/80/1182601880.db2.gz CNKUPEHKDCTCSN-ZIFCJYIRSA-N 2 1 308.510 3.388 20 0 DGADMP CCCc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC001459798902 1182617896 /nfs/dbraw/zinc/61/78/96/1182617896.db2.gz WVTMRDXCRYMEMY-RBUKOAKNSA-N 2 1 306.494 3.238 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC001459823932 1182619614 /nfs/dbraw/zinc/61/96/14/1182619614.db2.gz FMPQVSALPINLAF-WOJBJXKFSA-N 2 1 318.505 3.238 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CC2CCC1CC2 ZINC001460601197 1182699067 /nfs/dbraw/zinc/69/90/67/1182699067.db2.gz ABTDXPQIKHHEFE-NKELODKYSA-N 2 1 308.510 3.103 20 0 DGADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746626 1182716423 /nfs/dbraw/zinc/71/64/23/1182716423.db2.gz JECFSHVIZFBADM-LMCOJAPRSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746626 1182716428 /nfs/dbraw/zinc/71/64/28/1182716428.db2.gz JECFSHVIZFBADM-LMCOJAPRSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746626 1182716432 /nfs/dbraw/zinc/71/64/32/1182716432.db2.gz JECFSHVIZFBADM-LMCOJAPRSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H](CCSc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460862684 1182733658 /nfs/dbraw/zinc/73/36/58/1182733658.db2.gz HNPJDKBYFVWWMI-NUJGCVRESA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460862684 1182733663 /nfs/dbraw/zinc/73/36/63/1182733663.db2.gz HNPJDKBYFVWWMI-NUJGCVRESA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460862684 1182733670 /nfs/dbraw/zinc/73/36/70/1182733670.db2.gz HNPJDKBYFVWWMI-NUJGCVRESA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460862684 1182733676 /nfs/dbraw/zinc/73/36/76/1182733676.db2.gz HNPJDKBYFVWWMI-NUJGCVRESA-N 2 1 304.503 3.441 20 0 DGADMP CC[N@H+]1CC[C@H](CNCc2ccccc2OCC(F)(F)F)C1 ZINC001461068871 1182763297 /nfs/dbraw/zinc/76/32/97/1182763297.db2.gz NGMTUUJHWLMBQI-CYBMUJFWSA-N 2 1 316.367 3.059 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001461068871 1182763301 /nfs/dbraw/zinc/76/33/01/1182763301.db2.gz NGMTUUJHWLMBQI-CYBMUJFWSA-N 2 1 316.367 3.059 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001461068871 1182763304 /nfs/dbraw/zinc/76/33/04/1182763304.db2.gz NGMTUUJHWLMBQI-CYBMUJFWSA-N 2 1 316.367 3.059 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC001461106077 1182768079 /nfs/dbraw/zinc/76/80/79/1182768079.db2.gz PAFSGXHTGYGHRT-LJQANCHMSA-N 2 1 304.478 3.127 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC001461586204 1182831325 /nfs/dbraw/zinc/83/13/25/1182831325.db2.gz QHFTWNPHXRZMLF-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC001461586204 1182831330 /nfs/dbraw/zinc/83/13/30/1182831330.db2.gz QHFTWNPHXRZMLF-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001461920788 1182877614 /nfs/dbraw/zinc/87/76/14/1182877614.db2.gz SLKSMLFTGPRWKX-FQEVSTJZSA-N 2 1 316.489 3.497 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCCCCCC2)C1 ZINC001462084128 1182905894 /nfs/dbraw/zinc/90/58/94/1182905894.db2.gz KOODKHCAGTZNAE-HXUWFJFHSA-N 2 1 316.489 3.456 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4scnc4c3)C2)CC1 ZINC001462203633 1182923405 /nfs/dbraw/zinc/92/34/05/1182923405.db2.gz ZFIOPRQWTULNBP-MRXNPFEDSA-N 2 1 315.486 3.460 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001462222371 1182925444 /nfs/dbraw/zinc/92/54/44/1182925444.db2.gz NIKGMYDOYHHAGZ-SZMVWBNQSA-N 2 1 302.462 3.090 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001462222371 1182925448 /nfs/dbraw/zinc/92/54/48/1182925448.db2.gz NIKGMYDOYHHAGZ-SZMVWBNQSA-N 2 1 302.462 3.090 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001462295748 1182934967 /nfs/dbraw/zinc/93/49/67/1182934967.db2.gz KTKMZIPNVGFHER-OAHLLOKOSA-N 2 1 318.461 3.157 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001462295748 1182934974 /nfs/dbraw/zinc/93/49/74/1182934974.db2.gz KTKMZIPNVGFHER-OAHLLOKOSA-N 2 1 318.461 3.157 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001462301090 1182935296 /nfs/dbraw/zinc/93/52/96/1182935296.db2.gz SEFDXZFVPRXIDU-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001462301090 1182935298 /nfs/dbraw/zinc/93/52/98/1182935298.db2.gz SEFDXZFVPRXIDU-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001462301090 1182935306 /nfs/dbraw/zinc/93/53/06/1182935306.db2.gz SEFDXZFVPRXIDU-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001462301090 1182935309 /nfs/dbraw/zinc/93/53/09/1182935309.db2.gz SEFDXZFVPRXIDU-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470313 1182957641 /nfs/dbraw/zinc/95/76/41/1182957641.db2.gz JJYMCJDPLVCCPN-LPHOPBHVSA-N 2 1 318.509 3.235 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470313 1182957646 /nfs/dbraw/zinc/95/76/46/1182957646.db2.gz JJYMCJDPLVCCPN-LPHOPBHVSA-N 2 1 318.509 3.235 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC001462547309 1182967090 /nfs/dbraw/zinc/96/70/90/1182967090.db2.gz FTUSZCXVXCHPKY-ROUUACIJSA-N 2 1 321.468 3.397 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCC[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001462653054 1182980777 /nfs/dbraw/zinc/98/07/77/1182980777.db2.gz KRWXVFSXAKHFEU-HKUYNNGSSA-N 2 1 321.553 3.351 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC23CCOCC3)[C@@H](C)C1 ZINC001473228513 1183733321 /nfs/dbraw/zinc/73/33/21/1183733321.db2.gz SZDNTXYHWWSGBY-KSZLIROESA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC23CCOCC3)[C@@H](C)C1 ZINC001473228513 1183733325 /nfs/dbraw/zinc/73/33/25/1183733325.db2.gz SZDNTXYHWWSGBY-KSZLIROESA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC23CCOCC3)[C@@H](C)C1 ZINC001473228513 1183733329 /nfs/dbraw/zinc/73/33/29/1183733329.db2.gz SZDNTXYHWWSGBY-KSZLIROESA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001473533694 1183770506 /nfs/dbraw/zinc/77/05/06/1183770506.db2.gz YOVHEZAKNHVJMC-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001473533694 1183770507 /nfs/dbraw/zinc/77/05/07/1183770507.db2.gz YOVHEZAKNHVJMC-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001473533698 1183770750 /nfs/dbraw/zinc/77/07/50/1183770750.db2.gz YOVHEZAKNHVJMC-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001473533698 1183770753 /nfs/dbraw/zinc/77/07/53/1183770753.db2.gz YOVHEZAKNHVJMC-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP c1ccc(SCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001473586380 1183776151 /nfs/dbraw/zinc/77/61/51/1183776151.db2.gz IOFPTSQJKCWNIM-UHFFFAOYSA-N 2 1 313.470 3.386 20 0 DGADMP CCCC[N@H+](C[C@@H](O)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683377 1183790066 /nfs/dbraw/zinc/79/00/66/1183790066.db2.gz NUYUIMSYLXCBCI-CYBMUJFWSA-N 2 1 324.431 3.321 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)C(F)(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683377 1183790069 /nfs/dbraw/zinc/79/00/69/1183790069.db2.gz NUYUIMSYLXCBCI-CYBMUJFWSA-N 2 1 324.431 3.321 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCc2ccccn2)CC1 ZINC001473717696 1183793543 /nfs/dbraw/zinc/79/35/43/1183793543.db2.gz ZLKFRGZMMLOGOR-LJQANCHMSA-N 2 1 301.478 3.211 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001473876230 1183815600 /nfs/dbraw/zinc/81/56/00/1183815600.db2.gz AMFYRZSJERQBEI-MOPGFXCFSA-N 2 1 318.509 3.166 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001473876230 1183815604 /nfs/dbraw/zinc/81/56/04/1183815604.db2.gz AMFYRZSJERQBEI-MOPGFXCFSA-N 2 1 318.509 3.166 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C2 ZINC001473928135 1183830246 /nfs/dbraw/zinc/83/02/46/1183830246.db2.gz DWKDSWLHZAXBKO-KRWDZBQOSA-N 2 1 304.478 3.263 20 0 DGADMP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC001473935738 1183832855 /nfs/dbraw/zinc/83/28/55/1183832855.db2.gz NPGKRSWFMBLZRZ-HUUCEWRRSA-N 2 1 308.441 3.292 20 0 DGADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC001473940516 1183833334 /nfs/dbraw/zinc/83/33/34/1183833334.db2.gz GYWSWLIVPKMJGR-OWOJBTEDSA-N 2 1 306.400 3.442 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C(C)(C)C ZINC001474436027 1183922214 /nfs/dbraw/zinc/92/22/14/1183922214.db2.gz UCMRUFGGGJILKZ-MRXNPFEDSA-N 2 1 304.478 3.376 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C(C)(C)C ZINC001474436027 1183922218 /nfs/dbraw/zinc/92/22/18/1183922218.db2.gz UCMRUFGGGJILKZ-MRXNPFEDSA-N 2 1 304.478 3.376 20 0 DGADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001474473184 1183928078 /nfs/dbraw/zinc/92/80/78/1183928078.db2.gz KGIKUXSMZCZLHH-MSOLQXFVSA-N 2 1 307.526 3.127 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001474611670 1183949797 /nfs/dbraw/zinc/94/97/97/1183949797.db2.gz NTLHZEBQPCFGHM-HXUWFJFHSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001474611670 1183949804 /nfs/dbraw/zinc/94/98/04/1183949804.db2.gz NTLHZEBQPCFGHM-HXUWFJFHSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001474611670 1183949808 /nfs/dbraw/zinc/94/98/08/1183949808.db2.gz NTLHZEBQPCFGHM-HXUWFJFHSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001474611670 1183949815 /nfs/dbraw/zinc/94/98/15/1183949815.db2.gz NTLHZEBQPCFGHM-HXUWFJFHSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001474611670 1183949819 /nfs/dbraw/zinc/94/98/19/1183949819.db2.gz NTLHZEBQPCFGHM-HXUWFJFHSA-N 2 1 317.521 3.219 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1C(C)=CCC[C@@H]1C ZINC001474660844 1183957498 /nfs/dbraw/zinc/95/74/98/1183957498.db2.gz VICOCUPIZPDMDN-PKOBYXMFSA-N 2 1 308.510 3.269 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001479627380 1184278823 /nfs/dbraw/zinc/27/88/23/1184278823.db2.gz XVOMFGZZUYOLAN-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CCCCCC1 ZINC001499523558 1185662940 /nfs/dbraw/zinc/66/29/40/1185662940.db2.gz ZQURYAQROXDRNC-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505637440 1186117371 /nfs/dbraw/zinc/11/73/71/1186117371.db2.gz KACXYRUZMAAAJK-HOTGVXAUSA-N 2 1 323.525 3.088 20 0 DGADMP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001507088746 1186357967 /nfs/dbraw/zinc/35/79/67/1186357967.db2.gz JTJILBDEHMFEHJ-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001507322095 1186389694 /nfs/dbraw/zinc/38/96/94/1186389694.db2.gz PUAZJEVQKXNALE-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001507372647 1186407355 /nfs/dbraw/zinc/40/73/55/1186407355.db2.gz CFKUAUUNTMCNDX-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001507381197 1186411184 /nfs/dbraw/zinc/41/11/84/1186411184.db2.gz AYNASSGMXLGFJA-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779679 1193528190 /nfs/dbraw/zinc/52/81/90/1193528190.db2.gz MIIGOPVUJFZCLB-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779679 1193528193 /nfs/dbraw/zinc/52/81/93/1193528193.db2.gz MIIGOPVUJFZCLB-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779679 1193528196 /nfs/dbraw/zinc/52/81/96/1193528196.db2.gz MIIGOPVUJFZCLB-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779679 1193528199 /nfs/dbraw/zinc/52/81/99/1193528199.db2.gz MIIGOPVUJFZCLB-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC001549034451 1188487770 /nfs/dbraw/zinc/48/77/70/1188487770.db2.gz SMNTXYGITCWKQU-FHWLQOOXSA-N 2 1 314.473 3.023 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC001549034457 1188488102 /nfs/dbraw/zinc/48/81/02/1188488102.db2.gz SMNTXYGITCWKQU-OTWHNJEPSA-N 2 1 314.473 3.023 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC001549039182 1188488610 /nfs/dbraw/zinc/48/86/10/1188488610.db2.gz UTWBLSQMDYASOV-HCXYKTFWSA-N 2 1 308.510 3.149 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)cc2c1 ZINC001549088328 1188493457 /nfs/dbraw/zinc/49/34/57/1188493457.db2.gz QLKPDKMPTYBXPY-RDTXWAMCSA-N 2 1 300.402 3.002 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)cc2)n1 ZINC001549115409 1188495745 /nfs/dbraw/zinc/49/57/45/1188495745.db2.gz FSEPIGXIHOGJFX-UYAOXDASSA-N 2 1 324.472 3.050 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)c1C ZINC001549113119 1188496415 /nfs/dbraw/zinc/49/64/15/1188496415.db2.gz DESVHBPMRHVBLP-YLJYHZDGSA-N 2 1 314.473 3.375 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175386 1188590837 /nfs/dbraw/zinc/59/08/37/1188590837.db2.gz PSIFRIKFDFTLIH-XXXLFRTPSA-N 2 1 320.864 3.231 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175386 1188590839 /nfs/dbraw/zinc/59/08/39/1188590839.db2.gz PSIFRIKFDFTLIH-XXXLFRTPSA-N 2 1 320.864 3.231 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCCC[C@@H]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550350855 1188608771 /nfs/dbraw/zinc/60/87/71/1188608771.db2.gz AROKIQGMCRWNDO-OXKKCRRXSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3C[C@@H]4CCC[C@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550351395 1188609385 /nfs/dbraw/zinc/60/93/85/1188609385.db2.gz KEPUCELXDBETEE-ZPRVUSMLSA-N 2 1 320.521 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H]3CCC(C)(C)C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550351927 1188609437 /nfs/dbraw/zinc/60/94/37/1188609437.db2.gz FJFQNMNOCKGBOI-OREBXVKISA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCC[C@@H](C)C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353600 1188609941 /nfs/dbraw/zinc/60/99/41/1188609941.db2.gz MGNFYDOJQXLHPV-VWQYPGANSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3csc(C)c3)C2)[C@H]1C(C)C ZINC001550423856 1188615115 /nfs/dbraw/zinc/61/51/15/1188615115.db2.gz SVDAZZSMIGQSSY-FJIDUMEYSA-N 2 1 322.518 3.016 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)o2)cc1 ZINC001550541788 1188621754 /nfs/dbraw/zinc/62/17/54/1188621754.db2.gz FIDNFWNOOYZSNK-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)o2)cc1 ZINC001550541788 1188621760 /nfs/dbraw/zinc/62/17/60/1188621760.db2.gz FIDNFWNOOYZSNK-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)o2)cc1 ZINC001550541788 1188621764 /nfs/dbraw/zinc/62/17/64/1188621764.db2.gz FIDNFWNOOYZSNK-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)o2)cc1 ZINC001550541788 1188621765 /nfs/dbraw/zinc/62/17/65/1188621765.db2.gz FIDNFWNOOYZSNK-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)C[C@@H]2C1 ZINC001550541524 1188622037 /nfs/dbraw/zinc/62/20/37/1188622037.db2.gz YVLGEYXABGLKHC-ZFWWWQNUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]2C1 ZINC001550541524 1188622038 /nfs/dbraw/zinc/62/20/38/1188622038.db2.gz YVLGEYXABGLKHC-ZFWWWQNUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]2C1 ZINC001550541524 1188622039 /nfs/dbraw/zinc/62/20/39/1188622039.db2.gz YVLGEYXABGLKHC-ZFWWWQNUSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@H]2C1 ZINC001550543132 1188622238 /nfs/dbraw/zinc/62/22/38/1188622238.db2.gz HNKILVMTXBSYKH-YSTOQKLRSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@H]2C1 ZINC001550543132 1188622242 /nfs/dbraw/zinc/62/22/42/1188622242.db2.gz HNKILVMTXBSYKH-YSTOQKLRSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@H]2C1 ZINC001550543132 1188622246 /nfs/dbraw/zinc/62/22/46/1188622246.db2.gz HNKILVMTXBSYKH-YSTOQKLRSA-N 2 1 314.473 3.180 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](c3cncn3C)C2)c1 ZINC001550622740 1188633254 /nfs/dbraw/zinc/63/32/54/1188633254.db2.gz LXXYLMRVDSBKSA-CYBMUJFWSA-N 2 1 304.825 3.157 20 0 DGADMP Cc1cnc(Cl)c(CN2CCC[C@@H](c3cncn3C)C2)c1 ZINC001550622740 1188633256 /nfs/dbraw/zinc/63/32/56/1188633256.db2.gz LXXYLMRVDSBKSA-CYBMUJFWSA-N 2 1 304.825 3.157 20 0 DGADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H](c2ccccc2)O1 ZINC001551254845 1188721717 /nfs/dbraw/zinc/72/17/17/1188721717.db2.gz CUXNKYATLPZIFW-QFBILLFUSA-N 2 1 302.462 3.180 20 0 DGADMP c1cc(C[N@H+]2C[C@@H]3CCOC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC001552169343 1188822388 /nfs/dbraw/zinc/82/23/88/1188822388.db2.gz PJXHRXSLLWEERB-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CC[C@]3(CCCO3)C2)cc(C[NH+]2CCCCC2)c1 ZINC001552337321 1188837752 /nfs/dbraw/zinc/83/77/52/1188837752.db2.gz AORQSAPGNPXCQT-HXUWFJFHSA-N 2 1 314.473 3.427 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552928691 1188882777 /nfs/dbraw/zinc/88/27/77/1188882777.db2.gz DHWIFKUVTQSIPP-RCCFBDPRSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@H]3C1(C)C)CCC2 ZINC001553023854 1188890451 /nfs/dbraw/zinc/89/04/51/1188890451.db2.gz KKRCHLSFIUOHCF-UIBBOPPKSA-N 2 1 305.491 3.195 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001559689316 1189232119 /nfs/dbraw/zinc/23/21/19/1189232119.db2.gz MIALCQJLWVJPJD-OALUTQOASA-N 2 1 306.494 3.455 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001559689316 1189232122 /nfs/dbraw/zinc/23/21/22/1189232122.db2.gz MIALCQJLWVJPJD-OALUTQOASA-N 2 1 306.494 3.455 20 0 DGADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001559738156 1189237335 /nfs/dbraw/zinc/23/73/35/1189237335.db2.gz WYYIEJAIRFGCGT-NVXWUHKLSA-N 2 1 302.462 3.438 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001560099983 1189278292 /nfs/dbraw/zinc/27/82/92/1189278292.db2.gz BMQLLRCYYGQYMZ-HXUWFJFHSA-N 2 1 318.505 3.442 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2Cl)CCN1c1cc[nH+]cc1 ZINC001560108751 1189279911 /nfs/dbraw/zinc/27/99/11/1189279911.db2.gz KUUXCOAFNIJDGZ-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCN1c1cc[nH+]cc1 ZINC001560108751 1189279913 /nfs/dbraw/zinc/27/99/13/1189279913.db2.gz KUUXCOAFNIJDGZ-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP COC/C(C)=C\C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560154438 1189283774 /nfs/dbraw/zinc/28/37/74/1189283774.db2.gz JVWBFIUOJGRGGQ-PQZBFLFWSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560154438 1189283778 /nfs/dbraw/zinc/28/37/78/1189283778.db2.gz JVWBFIUOJGRGGQ-PQZBFLFWSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560154438 1189283782 /nfs/dbraw/zinc/28/37/82/1189283782.db2.gz JVWBFIUOJGRGGQ-PQZBFLFWSA-N 2 1 314.473 3.033 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001560266935 1189302152 /nfs/dbraw/zinc/30/21/52/1189302152.db2.gz XBYJZJFVOTYLSS-IXDOHACOSA-N 2 1 317.477 3.114 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC001560266935 1189302159 /nfs/dbraw/zinc/30/21/59/1189302159.db2.gz XBYJZJFVOTYLSS-IXDOHACOSA-N 2 1 317.477 3.114 20 0 DGADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001560266934 1189302849 /nfs/dbraw/zinc/30/28/49/1189302849.db2.gz XBYJZJFVOTYLSS-IKGGRYGDSA-N 2 1 317.477 3.114 20 0 DGADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001560266934 1189302853 /nfs/dbraw/zinc/30/28/53/1189302853.db2.gz XBYJZJFVOTYLSS-IKGGRYGDSA-N 2 1 317.477 3.114 20 0 DGADMP C[N@H+](CC[NH2+]C[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC001560295778 1189307135 /nfs/dbraw/zinc/30/71/35/1189307135.db2.gz NWLGTGMDDZGFCD-INIZCTEOSA-N 2 1 302.462 3.407 20 0 DGADMP C[N@@H+](CC[NH2+]C[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC001560295778 1189307140 /nfs/dbraw/zinc/30/71/40/1189307140.db2.gz NWLGTGMDDZGFCD-INIZCTEOSA-N 2 1 302.462 3.407 20 0 DGADMP COCC[NH+]1CCC([NH2+]C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC001560292907 1189307273 /nfs/dbraw/zinc/30/72/73/1189307273.db2.gz DBIUXVLPOFIRGT-WAYWQWQTSA-N 2 1 316.489 3.325 20 0 DGADMP CC(C)OC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCCC1 ZINC001560374025 1189320552 /nfs/dbraw/zinc/32/05/52/1189320552.db2.gz XAKAPDRCUUQOMA-UHFFFAOYSA-N 2 1 305.466 3.365 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001560547214 1189339171 /nfs/dbraw/zinc/33/91/71/1189339171.db2.gz ZAIZBYQTUBTYNY-QGZVFWFLSA-N 2 1 316.489 3.469 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)[NH+](C)C ZINC001560546831 1189339266 /nfs/dbraw/zinc/33/92/66/1189339266.db2.gz KQYGCGNJHNBFSY-CQSZACIVSA-N 2 1 321.465 3.463 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccc(C)c(C)c2)C1 ZINC001560665662 1189357410 /nfs/dbraw/zinc/35/74/10/1189357410.db2.gz FVRBGGJZGYHBHE-HXUWFJFHSA-N 2 1 318.505 3.279 20 0 DGADMP CC(C)CCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001560953846 1189410443 /nfs/dbraw/zinc/41/04/43/1189410443.db2.gz XXUAQDWDISVIBZ-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)CCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001560953846 1189410446 /nfs/dbraw/zinc/41/04/46/1189410446.db2.gz XXUAQDWDISVIBZ-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)CCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001560953846 1189410448 /nfs/dbraw/zinc/41/04/48/1189410448.db2.gz XXUAQDWDISVIBZ-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)CCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001560953846 1189410450 /nfs/dbraw/zinc/41/04/50/1189410450.db2.gz XXUAQDWDISVIBZ-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001560965440 1189411158 /nfs/dbraw/zinc/41/11/58/1189411158.db2.gz REYUBZQDZSODBK-HSFDUWRESA-N 2 1 316.489 3.300 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2c1OCO2 ZINC001560982920 1189415384 /nfs/dbraw/zinc/41/53/84/1189415384.db2.gz LFRXUEUYDSAKRC-UHFFFAOYSA-N 2 1 304.434 3.113 20 0 DGADMP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001567220470 1190077366 /nfs/dbraw/zinc/07/73/66/1190077366.db2.gz ZGFKXCIYPDFSBY-INIZCTEOSA-N 2 1 323.525 3.090 20 0 DGADMP CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001569520859 1190712458 /nfs/dbraw/zinc/71/24/58/1190712458.db2.gz CLSPGYSPOJWKGG-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001570256380 1190830303 /nfs/dbraw/zinc/83/03/03/1190830303.db2.gz LZTAGQQGSARQAB-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@@H+](CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001620763801 1191443891 /nfs/dbraw/zinc/44/38/91/1191443891.db2.gz MDSDIGVSWLTWTE-IBGZPJMESA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001620763801 1191443894 /nfs/dbraw/zinc/44/38/94/1191443894.db2.gz MDSDIGVSWLTWTE-IBGZPJMESA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001620763801 1191443896 /nfs/dbraw/zinc/44/38/96/1191443896.db2.gz MDSDIGVSWLTWTE-IBGZPJMESA-N 2 1 317.521 3.359 20 0 DGADMP Brc1ccccc1C[C@H]1CCC[N@H+]1CCC1C[NH2+]C1 ZINC001574447830 1191444584 /nfs/dbraw/zinc/44/45/84/1191444584.db2.gz DMBZYBSDRBOSLS-OAHLLOKOSA-N 2 1 323.278 3.066 20 0 DGADMP C=C/C=C/CCN[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC001574889162 1191455615 /nfs/dbraw/zinc/45/56/15/1191455615.db2.gz OINAEKDHWNUXFK-WLMAVBAVSA-N 2 1 300.446 3.253 20 0 DGADMP CC(C)([NH3+])c1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)on1 ZINC001575365492 1191477138 /nfs/dbraw/zinc/47/71/38/1191477138.db2.gz JDWNLQVOWITVQB-MRXNPFEDSA-N 2 1 313.445 3.323 20 0 DGADMP CC(C)C[C@H]1CCCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001575550561 1191490327 /nfs/dbraw/zinc/49/03/27/1191490327.db2.gz WWLRKCVYZGLDRT-AABGKKOBSA-N 2 1 318.505 3.208 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001575566602 1191491903 /nfs/dbraw/zinc/49/19/03/1191491903.db2.gz ZEXJWNCKDWXDMN-YTQUADARSA-N 2 1 310.526 3.403 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001575700334 1191503625 /nfs/dbraw/zinc/50/36/25/1191503625.db2.gz QCFNLPXHASEZAL-RBUKOAKNSA-N 2 1 319.537 3.103 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001575700334 1191503631 /nfs/dbraw/zinc/50/36/31/1191503631.db2.gz QCFNLPXHASEZAL-RBUKOAKNSA-N 2 1 319.537 3.103 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001575741641 1191504794 /nfs/dbraw/zinc/50/47/94/1191504794.db2.gz VHXRBHOVAXHZSQ-SFHVURJKSA-N 2 1 302.462 3.228 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@]3(C[NH3+])CCCC[C@H]3C)cnc21 ZINC001575909158 1191515616 /nfs/dbraw/zinc/51/56/16/1191515616.db2.gz FMUAXBMMNLLWBL-KDOFPFPSSA-N 2 1 315.465 3.009 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@@]3(C[NH3+])CCCC[C@@H]3C)cnc21 ZINC001575909154 1191516433 /nfs/dbraw/zinc/51/64/33/1191516433.db2.gz FMUAXBMMNLLWBL-KBXCAEBGSA-N 2 1 315.465 3.009 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001575943629 1191517768 /nfs/dbraw/zinc/51/77/68/1191517768.db2.gz ZFUSYWVRSYMQMA-LEAZDLGRSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001576053441 1191524361 /nfs/dbraw/zinc/52/43/61/1191524361.db2.gz XUCVMMYHDMQVOE-BXUZGUMPSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCC1C[NH2+]C1 ZINC001576055461 1191525799 /nfs/dbraw/zinc/52/57/99/1191525799.db2.gz CNPDUYVBGNMWPL-GFCCVEGCSA-N 2 1 300.368 3.178 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001576117334 1191531604 /nfs/dbraw/zinc/53/16/04/1191531604.db2.gz MUGXRHYCBLDOBR-YOEHRIQHSA-N 2 1 318.461 3.201 20 0 DGADMP C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001576244591 1191545858 /nfs/dbraw/zinc/54/58/58/1191545858.db2.gz MBZYPSMJASCHAD-BJFGVTRDSA-N 3 1 319.537 3.150 20 0 DGADMP C[C@@H](NCC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240153 1191547193 /nfs/dbraw/zinc/54/71/93/1191547193.db2.gz VQDHBWQRVJUMCV-IEBWSBKVSA-N 2 1 317.521 3.122 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240153 1191547195 /nfs/dbraw/zinc/54/71/95/1191547195.db2.gz VQDHBWQRVJUMCV-IEBWSBKVSA-N 3 1 317.521 3.122 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240153 1191547197 /nfs/dbraw/zinc/54/71/97/1191547197.db2.gz VQDHBWQRVJUMCV-IEBWSBKVSA-N 3 1 317.521 3.122 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)[NH2+]C1 ZINC001576420930 1191606540 /nfs/dbraw/zinc/60/65/40/1191606540.db2.gz BYKMOBIJDZOPKW-RCCFBDPRSA-N 2 1 308.510 3.340 20 0 DGADMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)CC(C)(C)C ZINC001618160632 1193727232 /nfs/dbraw/zinc/72/72/32/1193727232.db2.gz XYGXMGBARASZNO-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)C ZINC001618160632 1193727235 /nfs/dbraw/zinc/72/72/35/1193727235.db2.gz XYGXMGBARASZNO-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)C ZINC001618160632 1193727238 /nfs/dbraw/zinc/72/72/38/1193727238.db2.gz XYGXMGBARASZNO-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP CC(C)C[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)CC1CC[NH+](C)CC1 ZINC001620524637 1193776087 /nfs/dbraw/zinc/77/60/87/1193776087.db2.gz HNJFQPCDHZWPNA-MOPGFXCFSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001620718838 1193794494 /nfs/dbraw/zinc/79/44/94/1193794494.db2.gz UNLMQZIPVBLTBG-YLJYHZDGSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001620718838 1193794495 /nfs/dbraw/zinc/79/44/95/1193794495.db2.gz UNLMQZIPVBLTBG-YLJYHZDGSA-N 2 1 316.489 3.230 20 0 DGADMP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc2ccccc21 ZINC001621545149 1193856149 /nfs/dbraw/zinc/85/61/49/1193856149.db2.gz NBMQXSOUMOBAGL-XLIONFOSSA-N 2 1 310.441 3.232 20 0 DGADMP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc2ccccc21 ZINC001621545149 1193856151 /nfs/dbraw/zinc/85/61/51/1193856151.db2.gz NBMQXSOUMOBAGL-XLIONFOSSA-N 2 1 310.441 3.232 20 0 DGADMP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc2ccccc21 ZINC001621545149 1193856152 /nfs/dbraw/zinc/85/61/52/1193856152.db2.gz NBMQXSOUMOBAGL-XLIONFOSSA-N 2 1 310.441 3.232 20 0 DGADMP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc2ccccc21 ZINC001621545149 1193856155 /nfs/dbraw/zinc/85/61/55/1193856155.db2.gz NBMQXSOUMOBAGL-XLIONFOSSA-N 2 1 310.441 3.232 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001623100289 1193920158 /nfs/dbraw/zinc/92/01/58/1193920158.db2.gz DNPLAWSJBWECJK-KRWDZBQOSA-N 2 1 317.477 3.116 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+](C)C2CCCC2)C1 ZINC001649210133 1194102640 /nfs/dbraw/zinc/10/26/40/1194102640.db2.gz KKGRFKIWJKKWPE-IEBWSBKVSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+](C)C2CCCC2)C1 ZINC001649210133 1194102643 /nfs/dbraw/zinc/10/26/43/1194102643.db2.gz KKGRFKIWJKKWPE-IEBWSBKVSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC001649210133 1194102647 /nfs/dbraw/zinc/10/26/47/1194102647.db2.gz KKGRFKIWJKKWPE-IEBWSBKVSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001642598725 1194921998 /nfs/dbraw/zinc/92/19/98/1194921998.db2.gz CHTYJCTUFBBIQP-OAQYLSRUSA-N 2 1 323.484 3.107 20 0 DGADMP C[NH+](CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001642598725 1194922001 /nfs/dbraw/zinc/92/20/01/1194922001.db2.gz CHTYJCTUFBBIQP-OAQYLSRUSA-N 2 1 323.484 3.107 20 0 DGADMP C[NH+](CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001642598725 1194922003 /nfs/dbraw/zinc/92/20/03/1194922003.db2.gz CHTYJCTUFBBIQP-OAQYLSRUSA-N 2 1 323.484 3.107 20 0 DGADMP CCC(CC)C[N@@H+](CC)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001644321044 1195100389 /nfs/dbraw/zinc/10/03/89/1195100389.db2.gz WNSPFIJGMVQQGF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[N@H+](CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001644321044 1195100392 /nfs/dbraw/zinc/10/03/92/1195100392.db2.gz WNSPFIJGMVQQGF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[N@@H+](CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001644321044 1195100393 /nfs/dbraw/zinc/10/03/93/1195100393.db2.gz WNSPFIJGMVQQGF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[NH+](CC)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001644321044 1195100401 /nfs/dbraw/zinc/10/04/01/1195100401.db2.gz WNSPFIJGMVQQGF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CCC(CC)C[NH+](CC)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001644321044 1195100403 /nfs/dbraw/zinc/10/04/03/1195100403.db2.gz WNSPFIJGMVQQGF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1C ZINC001644332722 1195101980 /nfs/dbraw/zinc/10/19/80/1195101980.db2.gz ORKBZJPAHUYNGG-MRXNPFEDSA-N 2 1 311.429 3.109 20 0 DGADMP C([C@@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001644658699 1195124092 /nfs/dbraw/zinc/12/40/92/1195124092.db2.gz YLSKMJFSBMWCCK-QZTJIDSGSA-N 2 1 322.493 3.013 20 0 DGADMP C([C@@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001644658699 1195124093 /nfs/dbraw/zinc/12/40/93/1195124093.db2.gz YLSKMJFSBMWCCK-QZTJIDSGSA-N 2 1 322.493 3.013 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001644762352 1195132723 /nfs/dbraw/zinc/13/27/23/1195132723.db2.gz ZLPUGBWMHKTDSH-HOTGVXAUSA-N 2 1 318.452 3.245 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001645369220 1195179060 /nfs/dbraw/zinc/17/90/60/1195179060.db2.gz HMMAHDLBIUXWQK-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP C[Si](C)(C)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001645604626 1195194473 /nfs/dbraw/zinc/19/44/73/1195194473.db2.gz QSLYYPFPLLUCMK-GOSISDBHSA-N 2 1 302.538 3.462 20 0 DGADMP C[Si](C)(C)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001645604626 1195194476 /nfs/dbraw/zinc/19/44/76/1195194476.db2.gz QSLYYPFPLLUCMK-GOSISDBHSA-N 2 1 302.538 3.462 20 0 DGADMP C[Si](C)(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001645604626 1195194480 /nfs/dbraw/zinc/19/44/80/1195194480.db2.gz QSLYYPFPLLUCMK-GOSISDBHSA-N 2 1 302.538 3.462 20 0 DGADMP C[Si](C)(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001645604626 1195194483 /nfs/dbraw/zinc/19/44/83/1195194483.db2.gz QSLYYPFPLLUCMK-GOSISDBHSA-N 2 1 302.538 3.462 20 0 DGADMP C[Si](C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001645604626 1195194486 /nfs/dbraw/zinc/19/44/86/1195194486.db2.gz QSLYYPFPLLUCMK-GOSISDBHSA-N 2 1 302.538 3.462 20 0 DGADMP CC[C@H](C)C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437427 1195299779 /nfs/dbraw/zinc/29/97/79/1195299779.db2.gz LUDQYLHLZZOYPT-SFHVURJKSA-N 2 1 304.478 3.257 20 0 DGADMP CC[C@H](C)C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437427 1195299780 /nfs/dbraw/zinc/29/97/80/1195299780.db2.gz LUDQYLHLZZOYPT-SFHVURJKSA-N 2 1 304.478 3.257 20 0 DGADMP CC[C@H](C)C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001648437427 1195299782 /nfs/dbraw/zinc/29/97/82/1195299782.db2.gz LUDQYLHLZZOYPT-SFHVURJKSA-N 2 1 304.478 3.257 20 0 DGADMP CC[C@H](C)C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001648437427 1195299783 /nfs/dbraw/zinc/29/97/83/1195299783.db2.gz LUDQYLHLZZOYPT-SFHVURJKSA-N 2 1 304.478 3.257 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001649268232 1195330964 /nfs/dbraw/zinc/33/09/64/1195330964.db2.gz OJSBWHHAAOXGAG-OAQYLSRUSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001650832320 1195387017 /nfs/dbraw/zinc/38/70/17/1195387017.db2.gz ABLWPWCDVYNNHM-OAQYLSRUSA-N 2 1 324.468 3.242 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001651380049 1195452781 /nfs/dbraw/zinc/45/27/81/1195452781.db2.gz LIEDFDZDBQHXDX-ZDUSSCGKSA-N 2 1 320.868 3.264 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC001651697622 1195497367 /nfs/dbraw/zinc/49/73/67/1195497367.db2.gz DSTWCYGMYGEIFN-IAOVAPTHSA-N 2 1 315.848 3.318 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001651697763 1195497734 /nfs/dbraw/zinc/49/77/34/1195497734.db2.gz HRAFOAUDFVPHEX-DDWTVGNQSA-N 2 1 314.473 3.166 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c2ccccc12 ZINC001651697869 1195498166 /nfs/dbraw/zinc/49/81/66/1195498166.db2.gz KMNRQPOMAJQVOA-KFKAGJAMSA-N 2 1 310.441 3.278 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC001651697665 1195498584 /nfs/dbraw/zinc/49/85/84/1195498584.db2.gz FTDMJMMVRQDHJF-YSVLISHTSA-N 2 1 315.848 3.318 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC001651697665 1195498587 /nfs/dbraw/zinc/49/85/87/1195498587.db2.gz FTDMJMMVRQDHJF-YSVLISHTSA-N 2 1 315.848 3.318 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC001651705749 1195499014 /nfs/dbraw/zinc/49/90/14/1195499014.db2.gz AMOMSSXOQLMETE-OAHLLOKOSA-N 2 1 303.494 3.479 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@]2(C)CCCCO2)CC1 ZINC001652352097 1195586613 /nfs/dbraw/zinc/58/66/13/1195586613.db2.gz HHOUIHWXMUYZDA-GOSISDBHSA-N 2 1 304.434 3.192 20 0 DGADMP CCN(CCC[NH+](CC)CC)Cc1[nH+]cc(C)c(OC)c1C ZINC001652391404 1195590888 /nfs/dbraw/zinc/59/08/88/1195590888.db2.gz HNJREAIABJMBKC-UHFFFAOYSA-N 2 1 307.482 3.261 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3scnc3c2)C1 ZINC001652399842 1195592627 /nfs/dbraw/zinc/59/26/27/1195592627.db2.gz JZRNGBCQCJUJEY-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399842 1195592632 /nfs/dbraw/zinc/59/26/32/1195592632.db2.gz JZRNGBCQCJUJEY-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399842 1195592636 /nfs/dbraw/zinc/59/26/36/1195592636.db2.gz JZRNGBCQCJUJEY-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP COc1ccc(SCC[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001652636040 1195630206 /nfs/dbraw/zinc/63/02/06/1195630206.db2.gz XFCVEECFEQIWCI-OAHLLOKOSA-N 2 1 308.491 3.109 20 0 DGADMP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C2 ZINC001652767017 1195649603 /nfs/dbraw/zinc/64/96/03/1195649603.db2.gz DXSIHSWMUNMJBB-AOIWGVFYSA-N 2 1 324.509 3.066 20 0 DGADMP CCNc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001653025519 1195681748 /nfs/dbraw/zinc/68/17/48/1195681748.db2.gz CSNMOWFUDCPEJV-MRXNPFEDSA-N 2 1 310.445 3.224 20 0 DGADMP COc1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC001653266418 1195705076 /nfs/dbraw/zinc/70/50/76/1195705076.db2.gz RTFXAIRLWXBSHC-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP COc1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC001653266418 1195705081 /nfs/dbraw/zinc/70/50/81/1195705081.db2.gz RTFXAIRLWXBSHC-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC001653367824 1195714964 /nfs/dbraw/zinc/71/49/64/1195714964.db2.gz UUBGWMWLJFHLDY-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC001653532308 1195731805 /nfs/dbraw/zinc/73/18/05/1195731805.db2.gz FYAVDKWMLWQSBX-SFHVURJKSA-N 2 1 308.441 3.089 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC001653770283 1195749381 /nfs/dbraw/zinc/74/93/81/1195749381.db2.gz UIWIWUSVLHWIDW-SFHVURJKSA-N 2 1 307.526 3.201 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000069160371 1195776767 /nfs/dbraw/zinc/77/67/67/1195776767.db2.gz NGJFAPULSDWNHF-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000069160371 1195776768 /nfs/dbraw/zinc/77/67/68/1195776768.db2.gz NGJFAPULSDWNHF-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](CCOc3cccc4ccccc43)C[C@@]2(C)C1 ZINC001654414939 1195802025 /nfs/dbraw/zinc/80/20/25/1195802025.db2.gz LQQXQMJGITXELF-NHCUHLMSSA-N 2 1 324.468 3.492 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000069751976 1195817126 /nfs/dbraw/zinc/81/71/26/1195817126.db2.gz VTJJFCCBIRSDLK-MRXNPFEDSA-N 2 1 312.461 3.002 20 0 DGADMP CC[C@@H]1C[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001654578964 1195818967 /nfs/dbraw/zinc/81/89/67/1195818967.db2.gz MMJMUPVDKLBXMJ-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CC[C@@H]1CN(C)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001654578964 1195818983 /nfs/dbraw/zinc/81/89/83/1195818983.db2.gz MMJMUPVDKLBXMJ-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CCCc2scnc2C)CC1 ZINC001654823261 1195845003 /nfs/dbraw/zinc/84/50/03/1195845003.db2.gz QATNBXHVPNKFPN-UHFFFAOYSA-N 2 1 307.507 3.334 20 0 DGADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC001654873675 1195850349 /nfs/dbraw/zinc/85/03/49/1195850349.db2.gz XNIQQPIXDODWCA-NRFANRHFSA-N 2 1 322.452 3.145 20 0 DGADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC001654873675 1195850353 /nfs/dbraw/zinc/85/03/53/1195850353.db2.gz XNIQQPIXDODWCA-NRFANRHFSA-N 2 1 322.452 3.145 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC001655563788 1195933589 /nfs/dbraw/zinc/93/35/89/1195933589.db2.gz YCSLHOHRJRMACX-SJORKVTESA-N 2 1 317.477 3.114 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC001656031288 1195989035 /nfs/dbraw/zinc/98/90/35/1195989035.db2.gz DNRUGKRGPZCNOH-DLBZAZTESA-N 2 1 312.498 3.208 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC001656031312 1195989276 /nfs/dbraw/zinc/98/92/76/1195989276.db2.gz FWSCDGIBCZJBDX-WBVHZDCISA-N 2 1 314.473 3.017 20 0 DGADMP c1nn2ccccc2c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001656043216 1195991855 /nfs/dbraw/zinc/99/18/55/1195991855.db2.gz HCNRTIIWEPABNB-UHFFFAOYSA-N 2 1 312.461 3.079 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001656081612 1195996235 /nfs/dbraw/zinc/99/62/35/1195996235.db2.gz GTGGNPQIWVHWCZ-UHFFFAOYSA-N 2 1 318.509 3.219 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCOCC2)cc1 ZINC001656766057 1196069516 /nfs/dbraw/zinc/06/95/16/1196069516.db2.gz IKYOGGAKJVEECR-INIZCTEOSA-N 2 1 302.462 3.330 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC001656812540 1196073053 /nfs/dbraw/zinc/07/30/53/1196073053.db2.gz UWTXDNYFXMDCJI-WBVHZDCISA-N 2 1 320.477 3.304 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC001656809108 1196073245 /nfs/dbraw/zinc/07/32/45/1196073245.db2.gz GTFLZVCATWIOQS-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP Cc1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1-c1ccccc1 ZINC001656824166 1196074018 /nfs/dbraw/zinc/07/40/18/1196074018.db2.gz QJZVHSKNEZIYOL-UHFFFAOYSA-N 2 1 324.472 3.145 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001656947090 1196085546 /nfs/dbraw/zinc/08/55/46/1196085546.db2.gz KSDUJUANWKQZPH-BRWVUGGUSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001656947090 1196085547 /nfs/dbraw/zinc/08/55/47/1196085547.db2.gz KSDUJUANWKQZPH-BRWVUGGUSA-N 2 1 302.462 3.263 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC001656963713 1196087694 /nfs/dbraw/zinc/08/76/94/1196087694.db2.gz WHCIZVGLPIBYHR-KRWDZBQOSA-N 2 1 304.478 3.461 20 0 DGADMP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c2c(n1)CCCC2 ZINC001657277628 1196126062 /nfs/dbraw/zinc/12/60/62/1196126062.db2.gz DFNVQLVLMASIDR-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c2c(n1)CCCC2 ZINC001657277628 1196126064 /nfs/dbraw/zinc/12/60/64/1196126064.db2.gz DFNVQLVLMASIDR-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c2c(n1)CCCC2 ZINC001657277628 1196126065 /nfs/dbraw/zinc/12/60/65/1196126065.db2.gz DFNVQLVLMASIDR-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c2c(n1)CCCC2 ZINC001657277628 1196126067 /nfs/dbraw/zinc/12/60/67/1196126067.db2.gz DFNVQLVLMASIDR-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC001657326992 1196130439 /nfs/dbraw/zinc/13/04/39/1196130439.db2.gz IGXGEVLEYDXLQC-CQSZACIVSA-N 2 1 312.442 3.392 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC001657342532 1196132224 /nfs/dbraw/zinc/13/22/24/1196132224.db2.gz QGLSAQJWIQHPBB-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657427780 1196139717 /nfs/dbraw/zinc/13/97/17/1196139717.db2.gz KDDOGPYIERFVJT-AZUAARDMSA-N 2 1 318.505 3.194 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)CC1 ZINC001657502368 1196149893 /nfs/dbraw/zinc/14/98/93/1196149893.db2.gz BJHKLUGMFWSGJS-LPHOPBHVSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C)C1 ZINC001657610410 1196159980 /nfs/dbraw/zinc/15/99/80/1196159980.db2.gz KCTQJCKDTAEROM-KRWDZBQOSA-N 2 1 303.494 3.210 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001657611583 1196161015 /nfs/dbraw/zinc/16/10/15/1196161015.db2.gz DJNAIWUMCNMNGP-SFHVURJKSA-N 2 1 306.494 3.167 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001657628056 1196161367 /nfs/dbraw/zinc/16/13/67/1196161367.db2.gz OTAQRJOIPMWPBH-ICSRJNTNSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001657628056 1196161370 /nfs/dbraw/zinc/16/13/70/1196161370.db2.gz OTAQRJOIPMWPBH-ICSRJNTNSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001657628056 1196161374 /nfs/dbraw/zinc/16/13/74/1196161374.db2.gz OTAQRJOIPMWPBH-ICSRJNTNSA-N 2 1 317.521 3.389 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001658162323 1196219263 /nfs/dbraw/zinc/21/92/63/1196219263.db2.gz APFLDHSLVXWGEB-KRWDZBQOSA-N 2 1 310.869 3.037 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC001658176027 1196221654 /nfs/dbraw/zinc/22/16/54/1196221654.db2.gz WROZNYAJPJQAGB-HRCADAONSA-N 2 1 312.379 3.221 20 0 DGADMP CC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC001658341314 1196244304 /nfs/dbraw/zinc/24/43/04/1196244304.db2.gz PODMMLCDXVMCSJ-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC001658341314 1196244308 /nfs/dbraw/zinc/24/43/08/1196244308.db2.gz PODMMLCDXVMCSJ-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC001658777788 1196299720 /nfs/dbraw/zinc/29/97/20/1196299720.db2.gz IWYCFQHMZZULIV-JYJNAYRXSA-N 2 1 312.379 3.221 20 0 DGADMP CCC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001658851436 1196309564 /nfs/dbraw/zinc/30/95/64/1196309564.db2.gz WYEBMANTVXWTKK-KZNAEPCWSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[C@@H](C)C1 ZINC001659015907 1196332414 /nfs/dbraw/zinc/33/24/14/1196332414.db2.gz GTBNOJRVOIVNCM-BWPNAZKDSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[C@@H](C)C1 ZINC001659015907 1196332420 /nfs/dbraw/zinc/33/24/20/1196332420.db2.gz GTBNOJRVOIVNCM-BWPNAZKDSA-N 2 1 318.505 3.284 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(Sc4ccccc4)C3)[C@@H]2C1 ZINC001659118483 1196347866 /nfs/dbraw/zinc/34/78/66/1196347866.db2.gz MAECCJZQBREYHJ-LVLFIUNYSA-N 2 1 302.487 3.240 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659665424 1196404463 /nfs/dbraw/zinc/40/44/63/1196404463.db2.gz AOTYNWKHWSQTKC-NSHGMRRFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659665424 1196404467 /nfs/dbraw/zinc/40/44/67/1196404467.db2.gz AOTYNWKHWSQTKC-NSHGMRRFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659665422 1196404725 /nfs/dbraw/zinc/40/47/25/1196404725.db2.gz AOTYNWKHWSQTKC-NLWGTHIKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659665422 1196404728 /nfs/dbraw/zinc/40/47/28/1196404728.db2.gz AOTYNWKHWSQTKC-NLWGTHIKSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001659689998 1196406624 /nfs/dbraw/zinc/40/66/24/1196406624.db2.gz MRFHSJDLVARCMA-IBGZPJMESA-N 2 1 321.553 3.494 20 0 DGADMP COc1ccc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000075780670 1196420837 /nfs/dbraw/zinc/42/08/37/1196420837.db2.gz QJSBWNZIPGXOSO-MRXNPFEDSA-N 2 1 310.441 3.422 20 0 DGADMP CC(C)C[N@@H+](CCN1C[C@@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC001659898412 1196427028 /nfs/dbraw/zinc/42/70/28/1196427028.db2.gz BMFGECQHVNZIHH-OALUTQOASA-N 2 1 323.569 3.264 20 0 DGADMP COC1(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)CCCCC1 ZINC001660250664 1196462010 /nfs/dbraw/zinc/46/20/10/1196462010.db2.gz PVYWERAWTGVOFV-HDICACEKSA-N 2 1 306.494 3.144 20 0 DGADMP COC1(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)CCCCC1 ZINC001660250664 1196462012 /nfs/dbraw/zinc/46/20/12/1196462012.db2.gz PVYWERAWTGVOFV-HDICACEKSA-N 2 1 306.494 3.144 20 0 DGADMP COC1(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)CCCCC1 ZINC001660250664 1196462016 /nfs/dbraw/zinc/46/20/16/1196462016.db2.gz PVYWERAWTGVOFV-HDICACEKSA-N 2 1 306.494 3.144 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC001660379761 1196477309 /nfs/dbraw/zinc/47/73/09/1196477309.db2.gz DBBJJXDJSKTWMT-IEBWSBKVSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805064 1196528080 /nfs/dbraw/zinc/52/80/80/1196528080.db2.gz HFBAVMNJRIREMS-IEBWSBKVSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCCC2)C1 ZINC001660805064 1196528082 /nfs/dbraw/zinc/52/80/82/1196528082.db2.gz HFBAVMNJRIREMS-IEBWSBKVSA-N 2 1 315.505 3.286 20 0 DGADMP CCO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001660902055 1196540501 /nfs/dbraw/zinc/54/05/01/1196540501.db2.gz JMCOCPDXGPVKRX-PMACEKPBSA-N 2 1 316.489 3.372 20 0 DGADMP CCO[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001660902055 1196540504 /nfs/dbraw/zinc/54/05/04/1196540504.db2.gz JMCOCPDXGPVKRX-PMACEKPBSA-N 2 1 316.489 3.372 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)[C@H]2C1 ZINC001660928798 1196542925 /nfs/dbraw/zinc/54/29/25/1196542925.db2.gz IXAFVRVJYCKDOL-MQEBWNNMSA-N 2 1 306.400 3.141 20 0 DGADMP CCC[NH+]1CCC(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001661346931 1196597006 /nfs/dbraw/zinc/59/70/06/1196597006.db2.gz OKNJMBOCKRTATK-UHFFFAOYSA-N 2 1 312.461 3.288 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001661403075 1196601468 /nfs/dbraw/zinc/60/14/68/1196601468.db2.gz XFEGOLBVFCRCNH-SFHVURJKSA-N 2 1 306.494 3.332 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001661657576 1196628371 /nfs/dbraw/zinc/62/83/71/1196628371.db2.gz UCLSJLFVXIQFJF-UHFFFAOYSA-N 2 1 304.482 3.204 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000078562415 1196745935 /nfs/dbraw/zinc/74/59/35/1196745935.db2.gz HDSAFPUVDOIHBC-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078562415 1196745937 /nfs/dbraw/zinc/74/59/37/1196745937.db2.gz HDSAFPUVDOIHBC-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078562415 1196745939 /nfs/dbraw/zinc/74/59/39/1196745939.db2.gz HDSAFPUVDOIHBC-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000078562415 1196745940 /nfs/dbraw/zinc/74/59/40/1196745940.db2.gz HDSAFPUVDOIHBC-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000078562415 1196745941 /nfs/dbraw/zinc/74/59/41/1196745941.db2.gz HDSAFPUVDOIHBC-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)[C@@H]2C1 ZINC001663489208 1196884352 /nfs/dbraw/zinc/88/43/52/1196884352.db2.gz MTWIVYCBUYBCQC-IACUBPJLSA-N 2 1 321.877 3.380 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)CC1 ZINC001663623454 1196915982 /nfs/dbraw/zinc/91/59/82/1196915982.db2.gz LZDSTOQPQUQLRQ-FQEVSTJZSA-N 2 1 318.505 3.237 20 0 DGADMP CC[NH+]1CCC(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001663629675 1196917553 /nfs/dbraw/zinc/91/75/53/1196917553.db2.gz MUWCXYWNRRLFKG-UHFFFAOYSA-N 2 1 321.412 3.326 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001663629675 1196917557 /nfs/dbraw/zinc/91/75/57/1196917557.db2.gz MUWCXYWNRRLFKG-UHFFFAOYSA-N 2 1 321.412 3.326 20 0 DGADMP CC(C)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001663998914 1196964273 /nfs/dbraw/zinc/96/42/73/1196964273.db2.gz ZHYTVOFRBZMEIP-VQIMIIECSA-N 2 1 304.478 3.168 20 0 DGADMP CC(C)(C[NH2+]Cc1cccc2c1NCCC2)C[NH+]1CCCC1 ZINC001664566910 1197015023 /nfs/dbraw/zinc/01/50/23/1197015023.db2.gz QKHQOXVLIRIBRO-UHFFFAOYSA-N 2 1 301.478 3.256 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC001664611209 1197021063 /nfs/dbraw/zinc/02/10/63/1197021063.db2.gz GMPOQJXWXFEEPS-RBUKOAKNSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001664879327 1197074915 /nfs/dbraw/zinc/07/49/15/1197074915.db2.gz QVOQHNMMCAAHJX-JFIYKMOQSA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001664879327 1197074919 /nfs/dbraw/zinc/07/49/19/1197074919.db2.gz QVOQHNMMCAAHJX-JFIYKMOQSA-N 2 1 304.478 3.336 20 0 DGADMP CCC[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000080524609 1197088768 /nfs/dbraw/zinc/08/87/68/1197088768.db2.gz UPKHPIAZNHEVJX-QGZVFWFLSA-N 2 1 304.478 3.039 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001665185408 1197106005 /nfs/dbraw/zinc/10/60/05/1197106005.db2.gz IHXJAZAQQYISQI-LJQANCHMSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001665185407 1197106116 /nfs/dbraw/zinc/10/61/16/1197106116.db2.gz IHXJAZAQQYISQI-IBGZPJMESA-N 2 1 316.489 3.434 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4c(cccc4O)s3)[C@H]2C1 ZINC001665936980 1197218404 /nfs/dbraw/zinc/21/84/04/1197218404.db2.gz JLYLQIXPPOZOBD-TUKIKUTGSA-N 2 1 302.443 3.037 20 0 DGADMP CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001674981590 1197947279 /nfs/dbraw/zinc/94/72/79/1197947279.db2.gz XOYOUCKCJULZBY-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001674981590 1197947283 /nfs/dbraw/zinc/94/72/83/1197947283.db2.gz XOYOUCKCJULZBY-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001674981590 1197947285 /nfs/dbraw/zinc/94/72/85/1197947285.db2.gz XOYOUCKCJULZBY-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000093967341 1198742812 /nfs/dbraw/zinc/74/28/12/1198742812.db2.gz RIVBKIMIULPMON-UHFFFAOYSA-N 2 1 318.509 3.214 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400170615 1199345621 /nfs/dbraw/zinc/34/56/21/1199345621.db2.gz KIYDXYWSMLSKQN-UYAOXDASSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000304336567 1199647306 /nfs/dbraw/zinc/64/73/06/1199647306.db2.gz SGJVGGITRJKCNO-MRXNPFEDSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1noc(C)c1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309701271 1199709168 /nfs/dbraw/zinc/70/91/68/1199709168.db2.gz GDAKKTOQTRDDMS-SFHVURJKSA-N 2 1 313.445 3.293 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000311903635 1199746582 /nfs/dbraw/zinc/74/65/82/1199746582.db2.gz YPCAWFFFMXNDQW-CJNGLKHVSA-N 2 1 323.278 3.066 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000317040032 1199821497 /nfs/dbraw/zinc/82/14/97/1199821497.db2.gz WCEQPVRODXKZKS-OWSLCNJRSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000317040032 1199821502 /nfs/dbraw/zinc/82/15/02/1199821502.db2.gz WCEQPVRODXKZKS-OWSLCNJRSA-N 2 1 308.510 3.434 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000318347277 1199830039 /nfs/dbraw/zinc/83/00/39/1199830039.db2.gz CKUJMNMVLCZHFA-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000318347277 1199830042 /nfs/dbraw/zinc/83/00/42/1199830042.db2.gz CKUJMNMVLCZHFA-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC000319368905 1199838651 /nfs/dbraw/zinc/83/86/51/1199838651.db2.gz XCLKVFMVCVSHOF-SUYBPPKGSA-N 2 1 310.388 3.410 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000120783094 1200169731 /nfs/dbraw/zinc/16/97/31/1200169731.db2.gz SVRHVNHLCBUFAF-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000120784864 1200169776 /nfs/dbraw/zinc/16/97/76/1200169776.db2.gz ZWKJKVAUQOWTIE-CQSZACIVSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000120784864 1200169781 /nfs/dbraw/zinc/16/97/81/1200169781.db2.gz ZWKJKVAUQOWTIE-CQSZACIVSA-N 2 1 307.507 3.478 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cncs1 ZINC000135895766 1201206078 /nfs/dbraw/zinc/20/60/78/1201206078.db2.gz REWUHFCCMZDPKP-UHFFFAOYSA-N 2 1 319.474 3.154 20 0 DGADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000135870963 1201206288 /nfs/dbraw/zinc/20/62/88/1201206288.db2.gz NOPGNMAPYJTWIS-CYBMUJFWSA-N 2 1 305.491 3.375 20 0 DGADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000135870963 1201206291 /nfs/dbraw/zinc/20/62/91/1201206291.db2.gz NOPGNMAPYJTWIS-CYBMUJFWSA-N 2 1 305.491 3.375 20 0 DGADMP CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001700178409 1202197279 /nfs/dbraw/zinc/19/72/79/1202197279.db2.gz XEPCMICQKYGVMO-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001700178409 1202197280 /nfs/dbraw/zinc/19/72/80/1202197280.db2.gz XEPCMICQKYGVMO-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001700178409 1202197281 /nfs/dbraw/zinc/19/72/81/1202197281.db2.gz XEPCMICQKYGVMO-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001700220675 1202212871 /nfs/dbraw/zinc/21/28/71/1202212871.db2.gz QDLBLARUOPYYNA-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753780195 1202332402 /nfs/dbraw/zinc/33/24/02/1202332402.db2.gz RMGLUGQHRPVNET-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000151345135 1202592081 /nfs/dbraw/zinc/59/20/81/1202592081.db2.gz BEEXVEIQYCIBDK-UHFFFAOYSA-N 2 1 301.409 3.338 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3C)CC2)oc1C ZINC000152110930 1202593862 /nfs/dbraw/zinc/59/38/62/1202593862.db2.gz RRSSDLOBAXWYQX-CXAGYDPISA-N 2 1 305.466 3.282 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3C)CC2)oc1C ZINC000152110755 1202593904 /nfs/dbraw/zinc/59/39/04/1202593904.db2.gz RRSSDLOBAXWYQX-SUMWQHHRSA-N 2 1 305.466 3.282 20 0 DGADMP C[N@H+](Cc1cccc(F)c1Br)CC1CC[NH2+]CC1 ZINC000157019696 1202601811 /nfs/dbraw/zinc/60/18/11/1202601811.db2.gz CRYXJIOVUCFMKX-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000235480339 1202604519 /nfs/dbraw/zinc/60/45/19/1202604519.db2.gz IEYVBIIEHZLBAB-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000236601457 1202614615 /nfs/dbraw/zinc/61/46/15/1202614615.db2.gz IUDGYDNYYVWIPC-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000236720784 1202622065 /nfs/dbraw/zinc/62/20/65/1202622065.db2.gz NRFCRDNRRVKYJW-MOPGFXCFSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000236720784 1202622066 /nfs/dbraw/zinc/62/20/66/1202622066.db2.gz NRFCRDNRRVKYJW-MOPGFXCFSA-N 2 1 302.462 3.438 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000236959171 1202637815 /nfs/dbraw/zinc/63/78/15/1202637815.db2.gz UBAAUFVNOYNFSU-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000236958908 1202637818 /nfs/dbraw/zinc/63/78/18/1202637818.db2.gz UBAAUFVNOYNFSU-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC000236985039 1202640073 /nfs/dbraw/zinc/64/00/73/1202640073.db2.gz SUXGTZOAWIVRHV-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2csc3ccccc23)CC1 ZINC000237123045 1202649259 /nfs/dbraw/zinc/64/92/59/1202649259.db2.gz UCMIBXDFKPHSBW-UHFFFAOYSA-N 2 1 304.459 3.102 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713832317 1202693665 /nfs/dbraw/zinc/69/36/65/1202693665.db2.gz QLBCNLAMLCSNLO-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713832317 1202693666 /nfs/dbraw/zinc/69/36/66/1202693666.db2.gz QLBCNLAMLCSNLO-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713832317 1202693667 /nfs/dbraw/zinc/69/36/67/1202693667.db2.gz QLBCNLAMLCSNLO-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715074512 1203263562 /nfs/dbraw/zinc/26/35/62/1203263562.db2.gz NZUBGLKDZOTFRQ-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715350724 1203321152 /nfs/dbraw/zinc/32/11/52/1203321152.db2.gz RZEMAJJEFKKLGA-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715350719 1203321464 /nfs/dbraw/zinc/32/14/64/1203321464.db2.gz RZEMAJJEFKKLGA-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716852487 1203556160 /nfs/dbraw/zinc/55/61/60/1203556160.db2.gz GMKYDQAWDZZQIR-IBGZPJMESA-N 2 1 323.525 3.023 20 0 DGADMP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC000163766595 1203590086 /nfs/dbraw/zinc/59/00/86/1203590086.db2.gz MPXAPUNRDVFDQO-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001725617889 1204181071 /nfs/dbraw/zinc/18/10/71/1204181071.db2.gz CWABTVHVKIPREL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001733046397 1204999620 /nfs/dbraw/zinc/99/96/20/1204999620.db2.gz XHFGICBTAJGDSM-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001733046397 1204999622 /nfs/dbraw/zinc/99/96/22/1204999622.db2.gz XHFGICBTAJGDSM-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001733046397 1204999624 /nfs/dbraw/zinc/99/96/24/1204999624.db2.gz XHFGICBTAJGDSM-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733055144 1205006749 /nfs/dbraw/zinc/00/67/49/1205006749.db2.gz SSBSNVLBWVPMPT-KBSZCIAZSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001733055144 1205006752 /nfs/dbraw/zinc/00/67/52/1205006752.db2.gz SSBSNVLBWVPMPT-KBSZCIAZSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733055144 1205006754 /nfs/dbraw/zinc/00/67/54/1205006754.db2.gz SSBSNVLBWVPMPT-KBSZCIAZSA-N 2 1 323.525 3.042 20 0 DGADMP Cc1cccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1Br ZINC001141093087 1092133875 /nfs/dbraw/zinc/13/38/75/1092133875.db2.gz PHEKRIKHLANAOO-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)n1cc[nH+]c1CCC[NH3+] ZINC001256188091 1106386997 /nfs/dbraw/zinc/38/69/97/1106386997.db2.gz ZJIWFYLSFOXVDC-GFCCVEGCSA-N 2 1 322.250 3.341 20 0 DGADMP C[N@@H+](Cc1nc2ccccc2s1)CC1(C)CC[NH+](C)CC1 ZINC001208108084 1081603753 /nfs/dbraw/zinc/60/37/53/1081603753.db2.gz PRYLKGQZOXBVLA-UHFFFAOYSA-N 2 1 303.475 3.460 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206767459 1081613716 /nfs/dbraw/zinc/61/37/16/1081613716.db2.gz BPMWIMVOIJIZHV-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206767459 1081613719 /nfs/dbraw/zinc/61/37/19/1081613719.db2.gz BPMWIMVOIJIZHV-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP C[NH+](C)CCC(C)(C)Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001169716506 1081637832 /nfs/dbraw/zinc/63/78/32/1081637832.db2.gz SXFWCRVNGLHBFH-INIZCTEOSA-N 2 1 304.482 3.381 20 0 DGADMP Fc1ccc2c(c1)c1c(n2-c2cc3[nH]ccc3c[nH+]2)CC[NH2+]C1 ZINC001167086290 1081662383 /nfs/dbraw/zinc/66/23/83/1081662383.db2.gz YAYNBUMEFZACDL-UHFFFAOYSA-N 2 1 306.344 3.292 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926839 1081682535 /nfs/dbraw/zinc/68/25/35/1081682535.db2.gz IIVJTYUXSASYPJ-SZMVWBNQSA-N 2 1 322.493 3.187 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001209349871 1081710875 /nfs/dbraw/zinc/71/08/75/1081710875.db2.gz CNELMPNWSKKHGH-UHFFFAOYSA-N 2 1 310.482 3.059 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001209349871 1081710879 /nfs/dbraw/zinc/71/08/79/1081710879.db2.gz CNELMPNWSKKHGH-UHFFFAOYSA-N 2 1 310.482 3.059 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCC23CCOCC3)CC1 ZINC001167283794 1081900953 /nfs/dbraw/zinc/90/09/53/1081900953.db2.gz MCDNWRHGUGAQSF-QGZVFWFLSA-N 2 1 308.510 3.388 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)c1cccc(F)c1 ZINC001649713885 1081914000 /nfs/dbraw/zinc/91/40/00/1081914000.db2.gz ONEQRZUTTPRMHI-UHFFFAOYSA-N 2 1 301.409 3.354 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)s1 ZINC001204032605 1081963706 /nfs/dbraw/zinc/96/37/06/1081963706.db2.gz VHJJNWFABUPDQZ-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)s1 ZINC001204032605 1081963708 /nfs/dbraw/zinc/96/37/08/1081963708.db2.gz VHJJNWFABUPDQZ-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001204032605 1081963710 /nfs/dbraw/zinc/96/37/10/1081963710.db2.gz VHJJNWFABUPDQZ-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001204032605 1081963712 /nfs/dbraw/zinc/96/37/12/1081963712.db2.gz VHJJNWFABUPDQZ-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)CSC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000200723238 1081985613 /nfs/dbraw/zinc/98/56/13/1081985613.db2.gz WSVRYFMTBFLPRV-OAHLLOKOSA-N 2 1 316.555 3.122 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCCC(C)C ZINC001170082696 1082022430 /nfs/dbraw/zinc/02/24/30/1082022430.db2.gz MSHRJEDUTCNOSL-MRXNPFEDSA-N 2 1 300.487 3.018 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398015461 1082053882 /nfs/dbraw/zinc/05/38/82/1082053882.db2.gz GEBQWZMIYAXPTI-PSBWJHGTSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398015461 1082053890 /nfs/dbraw/zinc/05/38/90/1082053890.db2.gz GEBQWZMIYAXPTI-PSBWJHGTSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2ccccn12 ZINC001203155626 1082096186 /nfs/dbraw/zinc/09/61/86/1082096186.db2.gz ZSJJYLXZWUGEFG-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2ccccn12 ZINC001203155626 1082096193 /nfs/dbraw/zinc/09/61/93/1082096193.db2.gz ZSJJYLXZWUGEFG-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC001203155626 1082096201 /nfs/dbraw/zinc/09/62/01/1082096201.db2.gz ZSJJYLXZWUGEFG-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC001203155626 1082096209 /nfs/dbraw/zinc/09/62/09/1082096209.db2.gz ZSJJYLXZWUGEFG-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCO1 ZINC001170195870 1082316662 /nfs/dbraw/zinc/31/66/62/1082316662.db2.gz KVCCOUHURKJHCH-LSDHHAIUSA-N 2 1 306.425 3.033 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001170410722 1082369772 /nfs/dbraw/zinc/36/97/72/1082369772.db2.gz GNNHCYYXCMHCAY-RDJZCZTQSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccccc1[C@H](O)C[N@H+](CC(C)(C)C[NH+](C)C)C(C)C ZINC001207282467 1082509334 /nfs/dbraw/zinc/50/93/34/1082509334.db2.gz KCUPMTOBNUUZPW-QGZVFWFLSA-N 2 1 322.493 3.027 20 0 DGADMP COc1ccccc1[C@H](O)C[N@@H+](CC(C)(C)C[NH+](C)C)C(C)C ZINC001207282467 1082509340 /nfs/dbraw/zinc/50/93/40/1082509340.db2.gz KCUPMTOBNUUZPW-QGZVFWFLSA-N 2 1 322.493 3.027 20 0 DGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626657 1082621882 /nfs/dbraw/zinc/62/18/82/1082621882.db2.gz DTAOESHUMNANFE-DKFQHHCZSA-N 2 1 323.525 3.092 20 0 DGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170526116 1082629824 /nfs/dbraw/zinc/62/98/24/1082629824.db2.gz NTXLLRCODXIIAJ-AHCXZYCDSA-N 2 1 322.493 3.233 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001167648705 1082643026 /nfs/dbraw/zinc/64/30/26/1082643026.db2.gz XFCVXOBMVSROEM-GBESFXJTSA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001167648705 1082643030 /nfs/dbraw/zinc/64/30/30/1082643030.db2.gz XFCVXOBMVSROEM-GBESFXJTSA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001167648705 1082643032 /nfs/dbraw/zinc/64/30/32/1082643032.db2.gz XFCVXOBMVSROEM-GBESFXJTSA-N 2 1 302.462 3.180 20 0 DGADMP c1nc2n(c1C[NH+](C1CCCCC1)C1CCCCC1)CC[NH2+]C2 ZINC001204611361 1082769878 /nfs/dbraw/zinc/76/98/78/1082769878.db2.gz LOZBGOKPNAWNEI-UHFFFAOYSA-N 2 1 316.493 3.454 20 0 DGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132110904 1082821182 /nfs/dbraw/zinc/82/11/82/1082821182.db2.gz MZGNWMGPCYVTNG-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132110904 1082821187 /nfs/dbraw/zinc/82/11/87/1082821187.db2.gz MZGNWMGPCYVTNG-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132110904 1082821198 /nfs/dbraw/zinc/82/11/98/1082821198.db2.gz MZGNWMGPCYVTNG-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537531 1082837416 /nfs/dbraw/zinc/83/74/16/1082837416.db2.gz KYKZMTNSHNLRSG-GDBMZVCRSA-N 2 1 321.428 3.138 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537531 1082837418 /nfs/dbraw/zinc/83/74/18/1082837418.db2.gz KYKZMTNSHNLRSG-GDBMZVCRSA-N 2 1 321.428 3.138 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410427 1082904854 /nfs/dbraw/zinc/90/48/54/1082904854.db2.gz LMWCMMBZLVKZMD-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410427 1082904858 /nfs/dbraw/zinc/90/48/58/1082904858.db2.gz LMWCMMBZLVKZMD-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410427 1082904862 /nfs/dbraw/zinc/90/48/62/1082904862.db2.gz LMWCMMBZLVKZMD-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437935 1082909570 /nfs/dbraw/zinc/90/95/70/1082909570.db2.gz ZFHHQDKKKKWJME-IKSUFZCESA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)[C@H](C)C1 ZINC001167684877 1082909738 /nfs/dbraw/zinc/90/97/38/1082909738.db2.gz HDCLJRRDGXXRSQ-VQIMIIECSA-N 2 1 318.581 3.394 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132517653 1082928277 /nfs/dbraw/zinc/92/82/77/1082928277.db2.gz GFQSVCIPHHQYNF-RKQNLGICSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132517653 1082928278 /nfs/dbraw/zinc/92/82/78/1082928278.db2.gz GFQSVCIPHHQYNF-RKQNLGICSA-N 2 1 323.525 3.042 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)CC1 ZINC001170707773 1083197257 /nfs/dbraw/zinc/19/72/57/1083197257.db2.gz WXTVIDVLWOOEHZ-INIZCTEOSA-N 2 1 320.427 3.240 20 0 DGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612469 1083311860 /nfs/dbraw/zinc/31/18/60/1083311860.db2.gz MQWNLCNUMBHLCX-ZMJQMOPZSA-N 2 1 323.525 3.090 20 0 DGADMP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772459 1083329675 /nfs/dbraw/zinc/32/96/75/1083329675.db2.gz DLXAKPDRTYSZLU-HZPDHXFCSA-N 2 1 313.530 3.170 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001134772825 1083329721 /nfs/dbraw/zinc/32/97/21/1083329721.db2.gz IDUPZHHHNKWAGH-CABCVRRESA-N 2 1 313.530 3.026 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001204638426 1083426626 /nfs/dbraw/zinc/42/66/26/1083426626.db2.gz GUNGOVXIDAMKGX-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[PH+](C(C)C)C(C)C ZINC001182000654 1083602668 /nfs/dbraw/zinc/60/26/68/1083602668.db2.gz AWBVUGKDGNCMCX-HNNXBMFYSA-N 2 1 300.427 3.276 20 0 DGADMP COc1cc2[nH+]ccn2cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167754639 1083634242 /nfs/dbraw/zinc/63/42/42/1083634242.db2.gz UIKBFBQTDYVGKO-AWEZNQCLSA-N 2 1 302.422 3.019 20 0 DGADMP COc1cc2[nH+]ccn2cc1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167754639 1083634245 /nfs/dbraw/zinc/63/42/45/1083634245.db2.gz UIKBFBQTDYVGKO-AWEZNQCLSA-N 2 1 302.422 3.019 20 0 DGADMP CC[NH+]1CCC(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC001182160287 1083636413 /nfs/dbraw/zinc/63/64/13/1083636413.db2.gz GNROWDKJTMVYGP-LJQANCHMSA-N 2 1 313.489 3.203 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001206540109 1083795355 /nfs/dbraw/zinc/79/53/55/1083795355.db2.gz ABCWCEPPIYXVEA-INIZCTEOSA-N 2 1 300.368 3.097 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001206540109 1083795370 /nfs/dbraw/zinc/79/53/70/1083795370.db2.gz ABCWCEPPIYXVEA-INIZCTEOSA-N 2 1 300.368 3.097 20 0 DGADMP CC[NH+]1CCC(CN2CCC(CC)([NH+]3CCCC3)CC2)CC1 ZINC001183237910 1083903167 /nfs/dbraw/zinc/90/31/67/1083903167.db2.gz DTDCVWXOURBBHY-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCN1c1cc[nH+]cc1 ZINC001183550651 1083968670 /nfs/dbraw/zinc/96/86/70/1083968670.db2.gz KNQNALPKSFZVRA-KZSQQDEKSA-N 2 1 311.404 3.445 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001167822114 1084092321 /nfs/dbraw/zinc/09/23/21/1084092321.db2.gz FZRJFECLCHRIKH-KRWDZBQOSA-N 2 1 318.509 3.152 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001167825213 1084115840 /nfs/dbraw/zinc/11/58/40/1084115840.db2.gz HMALBTHVZSAHFX-QGZVFWFLSA-N 2 1 319.493 3.487 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001167833497 1084142924 /nfs/dbraw/zinc/14/29/24/1084142924.db2.gz CALRUOLEWGVVRH-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001167834707 1084151962 /nfs/dbraw/zinc/15/19/62/1084151962.db2.gz MCACKXLPJLSMNT-OAHLLOKOSA-N 2 1 316.493 3.223 20 0 DGADMP CCOC(=O)C[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1CCCC1 ZINC001167834897 1084153732 /nfs/dbraw/zinc/15/37/32/1084153732.db2.gz NPIWBBVRTPRTOC-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP CCc1noc([C@@H]2CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167837769 1084163400 /nfs/dbraw/zinc/16/34/00/1084163400.db2.gz MGYMAOAJYLMNGA-JKSUJKDBSA-N 2 1 322.497 3.322 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205295679 1084167359 /nfs/dbraw/zinc/16/73/59/1084167359.db2.gz AYEYPZYNVROIHP-JSGCOSHPSA-N 2 1 300.368 3.165 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001167841009 1084175334 /nfs/dbraw/zinc/17/53/34/1084175334.db2.gz JIIIKTQJCVLYAS-SFHVURJKSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](c2nnc(C)o2)C1 ZINC001167842420 1084188143 /nfs/dbraw/zinc/18/81/43/1084188143.db2.gz XCCDLBJHJJYWNV-HOCLYGCPSA-N 2 1 308.470 3.068 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205303179 1084226011 /nfs/dbraw/zinc/22/60/11/1084226011.db2.gz AMLUHDLXPRMDOK-TZMCWYRMSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205303179 1084226017 /nfs/dbraw/zinc/22/60/17/1084226017.db2.gz AMLUHDLXPRMDOK-TZMCWYRMSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303173 1084226610 /nfs/dbraw/zinc/22/66/10/1084226610.db2.gz AJXFVYUHGDMKEI-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303173 1084226617 /nfs/dbraw/zinc/22/66/17/1084226617.db2.gz AJXFVYUHGDMKEI-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP Fc1ccc(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204727472 1084861722 /nfs/dbraw/zinc/86/17/22/1084861722.db2.gz AKMMLEUFJUADHS-UHFFFAOYSA-N 2 1 310.844 3.487 20 0 DGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1F ZINC001167959403 1085642632 /nfs/dbraw/zinc/64/26/32/1085642632.db2.gz OIHIVMJVMMXDQT-MQVJKMGUSA-N 2 1 306.400 3.460 20 0 DGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167959403 1085642638 /nfs/dbraw/zinc/64/26/38/1085642638.db2.gz OIHIVMJVMMXDQT-MQVJKMGUSA-N 2 1 306.400 3.460 20 0 DGADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964623 1085832955 /nfs/dbraw/zinc/83/29/55/1085832955.db2.gz VCPSMPZCAOEJQE-CTXDPNEZSA-N 2 1 313.489 3.118 20 0 DGADMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccnc1Cl ZINC001167969790 1085903365 /nfs/dbraw/zinc/90/33/65/1085903365.db2.gz DLTFTSQOMPUZQI-AGUYFDCRSA-N 2 1 318.852 3.055 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167975654 1085923034 /nfs/dbraw/zinc/92/30/34/1085923034.db2.gz TVBKZEWSXCPYNL-KOQQBVACSA-N 2 1 319.537 3.244 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167975654 1085923049 /nfs/dbraw/zinc/92/30/49/1085923049.db2.gz TVBKZEWSXCPYNL-KOQQBVACSA-N 2 1 319.537 3.244 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167975654 1085923061 /nfs/dbraw/zinc/92/30/61/1085923061.db2.gz TVBKZEWSXCPYNL-KOQQBVACSA-N 2 1 319.537 3.244 20 0 DGADMP Oc1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167986300 1085984445 /nfs/dbraw/zinc/98/44/45/1085984445.db2.gz CGQXCRBRDSFYDF-DFNIBXOVSA-N 2 1 312.457 3.156 20 0 DGADMP Oc1ccc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167986300 1085984459 /nfs/dbraw/zinc/98/44/59/1085984459.db2.gz CGQXCRBRDSFYDF-DFNIBXOVSA-N 2 1 312.457 3.156 20 0 DGADMP Oc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167986300 1085984475 /nfs/dbraw/zinc/98/44/75/1085984475.db2.gz CGQXCRBRDSFYDF-DFNIBXOVSA-N 2 1 312.457 3.156 20 0 DGADMP Oc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167986300 1085984486 /nfs/dbraw/zinc/98/44/86/1085984486.db2.gz CGQXCRBRDSFYDF-DFNIBXOVSA-N 2 1 312.457 3.156 20 0 DGADMP FC1(F)CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21 ZINC001167989288 1086040759 /nfs/dbraw/zinc/04/07/59/1086040759.db2.gz ZIDZMHRLMLOIAB-BJCAYOAGSA-N 2 1 310.432 3.369 20 0 DGADMP FC1(F)CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001167989288 1086040770 /nfs/dbraw/zinc/04/07/70/1086040770.db2.gz ZIDZMHRLMLOIAB-BJCAYOAGSA-N 2 1 310.432 3.369 20 0 DGADMP FC1(F)CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001167989288 1086040782 /nfs/dbraw/zinc/04/07/82/1086040782.db2.gz ZIDZMHRLMLOIAB-BJCAYOAGSA-N 2 1 310.432 3.369 20 0 DGADMP CO[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21 ZINC001167993982 1086059674 /nfs/dbraw/zinc/05/96/74/1086059674.db2.gz UVYRGQHFTGPHEG-MFFSCKMESA-N 2 1 318.505 3.139 20 0 DGADMP CO[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001167993982 1086059687 /nfs/dbraw/zinc/05/96/87/1086059687.db2.gz UVYRGQHFTGPHEG-MFFSCKMESA-N 2 1 318.505 3.139 20 0 DGADMP CO[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001167993982 1086059701 /nfs/dbraw/zinc/05/97/01/1086059701.db2.gz UVYRGQHFTGPHEG-MFFSCKMESA-N 2 1 318.505 3.139 20 0 DGADMP C(OC[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1)C1CC1 ZINC001167995164 1086060248 /nfs/dbraw/zinc/06/02/48/1086060248.db2.gz YECDQYZQHPCDBP-GURQWTFNSA-N 2 1 318.505 3.140 20 0 DGADMP C(OC[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C1CC1 ZINC001167995164 1086060257 /nfs/dbraw/zinc/06/02/57/1086060257.db2.gz YECDQYZQHPCDBP-GURQWTFNSA-N 2 1 318.505 3.140 20 0 DGADMP C(OC[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C1CC1 ZINC001167995164 1086060265 /nfs/dbraw/zinc/06/02/65/1086060265.db2.gz YECDQYZQHPCDBP-GURQWTFNSA-N 2 1 318.505 3.140 20 0 DGADMP c1cncc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995651 1086063174 /nfs/dbraw/zinc/06/31/74/1086063174.db2.gz MZEPCLBPTOBMTO-GURQWTFNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cncc([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995651 1086063181 /nfs/dbraw/zinc/06/31/81/1086063181.db2.gz MZEPCLBPTOBMTO-GURQWTFNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cncc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995651 1086063188 /nfs/dbraw/zinc/06/31/88/1086063188.db2.gz MZEPCLBPTOBMTO-GURQWTFNSA-N 2 1 311.473 3.276 20 0 DGADMP CC(C)[NH+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002181 1086112826 /nfs/dbraw/zinc/11/28/26/1086112826.db2.gz PKZWMZYJDLIKKD-DFNIBXOVSA-N 2 1 308.510 3.265 20 0 DGADMP CC(C)[N@@H+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002181 1086112810 /nfs/dbraw/zinc/11/28/10/1086112810.db2.gz PKZWMZYJDLIKKD-DFNIBXOVSA-N 2 1 308.510 3.265 20 0 DGADMP CC(C)[NH+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002181 1086112820 /nfs/dbraw/zinc/11/28/20/1086112820.db2.gz PKZWMZYJDLIKKD-DFNIBXOVSA-N 2 1 308.510 3.265 20 0 DGADMP CC(C)N(CC[NH3+])[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007535 1086163008 /nfs/dbraw/zinc/16/30/08/1086163008.db2.gz AWAGNORSWWHWKX-IZZQQSIFSA-N 2 1 303.494 3.097 20 0 DGADMP C[C@@H]1CC(N[C@H]2CCC[N@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011226 1086213132 /nfs/dbraw/zinc/21/31/32/1086213132.db2.gz MWGUIJLPBODIRO-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1CC(N[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011226 1086213138 /nfs/dbraw/zinc/21/31/38/1086213138.db2.gz MWGUIJLPBODIRO-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602639 1086323556 /nfs/dbraw/zinc/32/35/56/1086323556.db2.gz XONCELJNXLPSHG-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602639 1086323569 /nfs/dbraw/zinc/32/35/69/1086323569.db2.gz XONCELJNXLPSHG-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602639 1086323582 /nfs/dbraw/zinc/32/35/82/1086323582.db2.gz XONCELJNXLPSHG-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP COC(C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001168025880 1086432847 /nfs/dbraw/zinc/43/28/47/1086432847.db2.gz KGHXRGWMGQXKJU-ALXJQNPVSA-N 2 1 320.477 3.027 20 0 DGADMP COC(C)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001168025880 1086432852 /nfs/dbraw/zinc/43/28/52/1086432852.db2.gz KGHXRGWMGQXKJU-ALXJQNPVSA-N 2 1 320.477 3.027 20 0 DGADMP C[C@H]1CC([NH2+][C@@H]2CCOC[C@@H]2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032108 1086465207 /nfs/dbraw/zinc/46/52/07/1086465207.db2.gz FESRTIWVXIHBCS-STEAMIEHSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1CC([N@H+]2CCCC[C@@H](O)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039021 1086497060 /nfs/dbraw/zinc/49/70/60/1086497060.db2.gz AYCQSCRRAVNUJB-MBOZVWFJSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCCC[C@@H](O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039021 1086497062 /nfs/dbraw/zinc/49/70/62/1086497062.db2.gz AYCQSCRRAVNUJB-MBOZVWFJSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCCC[C@@H](O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039021 1086497067 /nfs/dbraw/zinc/49/70/67/1086497067.db2.gz AYCQSCRRAVNUJB-MBOZVWFJSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041089 1086506581 /nfs/dbraw/zinc/50/65/81/1086506581.db2.gz QSIYMSIHGSLEIW-GNBUJSLZSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041089 1086506585 /nfs/dbraw/zinc/50/65/85/1086506585.db2.gz QSIYMSIHGSLEIW-GNBUJSLZSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041089 1086506594 /nfs/dbraw/zinc/50/65/94/1086506594.db2.gz QSIYMSIHGSLEIW-GNBUJSLZSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041089 1086506600 /nfs/dbraw/zinc/50/66/00/1086506600.db2.gz QSIYMSIHGSLEIW-GNBUJSLZSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@H]1CC([NH+]2CC3(C2)CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041617 1086510476 /nfs/dbraw/zinc/51/04/76/1086510476.db2.gz UIXOTWQLGUEFSV-IRXDYDNUSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(OC)c2)C1 ZINC001205009586 1086530579 /nfs/dbraw/zinc/53/05/79/1086530579.db2.gz YBLZZEYJVXJBQB-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(OC)c2)C1 ZINC001205009586 1086530590 /nfs/dbraw/zinc/53/05/90/1086530590.db2.gz YBLZZEYJVXJBQB-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@H]1CC([NH+]2CC3(CSC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056922 1086627447 /nfs/dbraw/zinc/62/74/47/1086627447.db2.gz KBSPWWRLNYCSQI-HOTGVXAUSA-N 2 1 316.514 3.477 20 0 DGADMP CC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063694 1086648142 /nfs/dbraw/zinc/64/81/42/1086648142.db2.gz FDUWGNLQQVMWOE-JSJNYSNDSA-N 2 1 314.473 3.481 20 0 DGADMP CC(=O)[C@@H]1CCCN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063694 1086648144 /nfs/dbraw/zinc/64/81/44/1086648144.db2.gz FDUWGNLQQVMWOE-JSJNYSNDSA-N 2 1 314.473 3.481 20 0 DGADMP CC(=O)[C@@H]1CCCN1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063694 1086648146 /nfs/dbraw/zinc/64/81/46/1086648146.db2.gz FDUWGNLQQVMWOE-JSJNYSNDSA-N 2 1 314.473 3.481 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](O)C[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064941 1086658997 /nfs/dbraw/zinc/65/89/97/1086658997.db2.gz SOWBWXPGAAJYJT-VYMYIBDJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](O)C[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064941 1086659000 /nfs/dbraw/zinc/65/90/00/1086659000.db2.gz SOWBWXPGAAJYJT-VYMYIBDJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](O)C[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064941 1086659002 /nfs/dbraw/zinc/65/90/02/1086659002.db2.gz SOWBWXPGAAJYJT-VYMYIBDJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](O)C[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064941 1086659008 /nfs/dbraw/zinc/65/90/08/1086659008.db2.gz SOWBWXPGAAJYJT-VYMYIBDJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065191 1086659985 /nfs/dbraw/zinc/65/99/85/1086659985.db2.gz UNWLNPBZZXNYGC-PIKOESSRSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065191 1086659991 /nfs/dbraw/zinc/65/99/91/1086659991.db2.gz UNWLNPBZZXNYGC-PIKOESSRSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065191 1086659998 /nfs/dbraw/zinc/65/99/98/1086659998.db2.gz UNWLNPBZZXNYGC-PIKOESSRSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@H]1CC(N(C)[C@@H]2CC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067354 1086709160 /nfs/dbraw/zinc/70/91/60/1086709160.db2.gz UNWLNPBZZXNYGC-JENIJYKNSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093553 1086852700 /nfs/dbraw/zinc/85/27/00/1086852700.db2.gz NIUKPJOLBGRSCM-DKIMLUQUSA-N 2 1 320.452 3.465 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001142178262 1086910443 /nfs/dbraw/zinc/91/04/43/1086910443.db2.gz LTBRUJJHHSAYCK-UHFFFAOYSA-N 2 1 318.509 3.173 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137762 1086970692 /nfs/dbraw/zinc/97/06/92/1086970692.db2.gz OJHLVINWXBPKID-JXFKEZNVSA-N 2 1 314.473 3.077 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137762 1086970695 /nfs/dbraw/zinc/97/06/95/1086970695.db2.gz OJHLVINWXBPKID-JXFKEZNVSA-N 2 1 314.473 3.077 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2cc(Br)ccc12 ZINC001142388332 1087024754 /nfs/dbraw/zinc/02/47/54/1087024754.db2.gz UCTSMPDXPVXFSS-UHFFFAOYSA-N 2 1 324.266 3.314 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+])C2 ZINC001168242661 1087069283 /nfs/dbraw/zinc/06/92/83/1087069283.db2.gz DSLKDPZRDVYQHF-OXJNMPFZSA-N 2 1 324.468 3.259 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001168323115 1087293423 /nfs/dbraw/zinc/29/34/23/1087293423.db2.gz RBWAXVDXUQYAJL-CTWPCTMYSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001168328722 1087296192 /nfs/dbraw/zinc/29/61/92/1087296192.db2.gz BPMCKYHBBSVDJQ-HTWSVDAQSA-N 2 1 306.425 3.152 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001168331080 1087297420 /nfs/dbraw/zinc/29/74/20/1087297420.db2.gz YMYMWMRKYPOSBP-AOCRQIFASA-N 2 1 300.446 3.064 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC001212142214 1087512975 /nfs/dbraw/zinc/51/29/75/1087512975.db2.gz FQFYOZGZONOERL-AWEZNQCLSA-N 2 1 306.385 3.044 20 0 DGADMP CC1(C)C[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158260113 1087745983 /nfs/dbraw/zinc/74/59/83/1087745983.db2.gz VESRAEVWXBDWPW-KDOFPFPSSA-N 2 1 317.481 3.032 20 0 DGADMP Cc1cc2c(nc[nH+]c2N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH]1 ZINC001158265444 1087751828 /nfs/dbraw/zinc/75/18/28/1087751828.db2.gz HRKDOKFQMLNJRO-SJKOYZFVSA-N 2 1 301.438 3.222 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCC13CCOCC3)CC2 ZINC001168459400 1087837623 /nfs/dbraw/zinc/83/76/23/1087837623.db2.gz SKBBMKNABYZCHK-KRWDZBQOSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCC13CCOCC3)CC2 ZINC001168459400 1087837640 /nfs/dbraw/zinc/83/76/40/1087837640.db2.gz SKBBMKNABYZCHK-KRWDZBQOSA-N 2 1 306.494 3.144 20 0 DGADMP Nc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001159114337 1088187020 /nfs/dbraw/zinc/18/70/20/1088187020.db2.gz UZGQLWVVFBCWAX-MSOLQXFVSA-N 2 1 306.413 3.397 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1OCC1CC1 ZINC001206649587 1088347047 /nfs/dbraw/zinc/34/70/47/1088347047.db2.gz WHPUAUMGSNFERD-MRXNPFEDSA-N 2 1 318.461 3.045 20 0 DGADMP c1ccc(C[N@H+]2Cc3ccc(NC4=CC[NH2+]CC4)cc3C2)cc1 ZINC001159511012 1088372874 /nfs/dbraw/zinc/37/28/74/1088372874.db2.gz UJYZZVVPCWBRQK-UHFFFAOYSA-N 2 1 305.425 3.492 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1ccccc1Br ZINC001235925539 1088477186 /nfs/dbraw/zinc/47/71/86/1088477186.db2.gz TZMVGUWBDVUPSC-AWEZNQCLSA-N 2 1 311.267 3.195 20 0 DGADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159910742 1088545102 /nfs/dbraw/zinc/54/51/02/1088545102.db2.gz UJALSSJPYDIDCX-IPLHWJFFSA-N 2 1 323.525 3.092 20 0 DGADMP CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844689 1088789049 /nfs/dbraw/zinc/78/90/49/1088789049.db2.gz VAEHSXAAMLTEMT-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844689 1088789066 /nfs/dbraw/zinc/78/90/66/1088789066.db2.gz VAEHSXAAMLTEMT-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844689 1088789084 /nfs/dbraw/zinc/78/90/84/1088789084.db2.gz VAEHSXAAMLTEMT-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP Fc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1F ZINC001236320657 1088802166 /nfs/dbraw/zinc/80/21/66/1088802166.db2.gz AJJLIENYWQDUBH-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP C[N@@H+](Cc1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)nc1)C1CC1 ZINC001160475620 1088828264 /nfs/dbraw/zinc/82/82/64/1088828264.db2.gz GLDHBIHVPBYLLK-XGWQRUHWSA-N 2 1 314.477 3.103 20 0 DGADMP C[NH+](Cc1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1)C1CC1 ZINC001160475620 1088828275 /nfs/dbraw/zinc/82/82/75/1088828275.db2.gz GLDHBIHVPBYLLK-XGWQRUHWSA-N 2 1 314.477 3.103 20 0 DGADMP C[NH+](Cc1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1)C1CC1 ZINC001160475620 1088828290 /nfs/dbraw/zinc/82/82/90/1088828290.db2.gz GLDHBIHVPBYLLK-XGWQRUHWSA-N 2 1 314.477 3.103 20 0 DGADMP COc1ccc2cc[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155117491 1088958460 /nfs/dbraw/zinc/95/84/60/1088958460.db2.gz HBCRSWYQNRKEDC-QGZVFWFLSA-N 2 1 303.381 3.137 20 0 DGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226853 1089016578 /nfs/dbraw/zinc/01/65/78/1089016578.db2.gz OQTGFSCNPKUGJC-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226853 1089016597 /nfs/dbraw/zinc/01/65/97/1089016597.db2.gz OQTGFSCNPKUGJC-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226853 1089016613 /nfs/dbraw/zinc/01/66/13/1089016613.db2.gz OQTGFSCNPKUGJC-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NC/C=C/C[NH3+])c12 ZINC001160982954 1089057074 /nfs/dbraw/zinc/05/70/74/1089057074.db2.gz UWRDGTQQACSNCS-VOTSOKGWSA-N 2 1 321.428 3.023 20 0 DGADMP Cc1ccc2c(c1)[C@H](Nc1[nH+]cccc1N)CC21CC[NH2+]CC1 ZINC001155436629 1089113308 /nfs/dbraw/zinc/11/33/08/1089113308.db2.gz OLODOAGMFWJMGM-QGZVFWFLSA-N 2 1 308.429 3.150 20 0 DGADMP CC/C=C\CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518482 1089272530 /nfs/dbraw/zinc/27/25/30/1089272530.db2.gz DKVLAEVJPBJHAG-SREVYHEPSA-N 2 1 323.525 3.092 20 0 DGADMP COc1cc[nH+]c(Nc2ccc(Br)cc2C[NH3+])c1 ZINC001161851837 1089441632 /nfs/dbraw/zinc/44/16/32/1089441632.db2.gz LRXDUXUJNAMBHC-UHFFFAOYSA-N 2 1 308.179 3.055 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC ZINC001156319440 1089477273 /nfs/dbraw/zinc/47/72/73/1089477273.db2.gz VTKDRZWISGUSIF-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP FC1CC(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)C1 ZINC001162212694 1089609232 /nfs/dbraw/zinc/60/92/32/1089609232.db2.gz XADHYSLPUZUWEK-ZALBZXLWSA-N 2 1 302.397 3.263 20 0 DGADMP Nc1ccc(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)[nH+]c1 ZINC001162233874 1089622179 /nfs/dbraw/zinc/62/21/79/1089622179.db2.gz RGCLGLSCNTXDIQ-QGZVFWFLSA-N 2 1 314.408 3.346 20 0 DGADMP C[N@@H+](Cc1ccc(NC[C@]2(CC3CC3)CCC[NH2+]2)nc1)C1CC1 ZINC001162353693 1089692596 /nfs/dbraw/zinc/69/25/96/1089692596.db2.gz YPKXNNZAZQTDLY-LJQANCHMSA-N 2 1 314.477 3.010 20 0 DGADMP CC(C)[PH+](CCNc1cc[nH+]c(N2CCOCC2)n1)C(C)C ZINC001162361957 1089698910 /nfs/dbraw/zinc/69/89/10/1089698910.db2.gz NETUWRLSSMPVFP-UHFFFAOYSA-N 2 1 324.409 3.024 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162395844 1089713077 /nfs/dbraw/zinc/71/30/77/1089713077.db2.gz WACXQXMYMJMMSS-PVAVHDDUSA-N 2 1 302.466 3.138 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001162460683 1089743856 /nfs/dbraw/zinc/74/38/56/1089743856.db2.gz JTCJMRKXVFDIKQ-ZIAGYGMSSA-N 2 1 312.461 3.489 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cccc1C1CCOCC1 ZINC001162461728 1089745998 /nfs/dbraw/zinc/74/59/98/1089745998.db2.gz QWBLEWJRXBWXOL-GOEBONIOSA-N 2 1 303.450 3.023 20 0 DGADMP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001484922587 1089753913 /nfs/dbraw/zinc/75/39/13/1089753913.db2.gz RTCNIBOUXVZWAD-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP Cn1cccc1CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001162709524 1089898656 /nfs/dbraw/zinc/89/86/56/1089898656.db2.gz OJHCAUIGEMNMQC-MRXNPFEDSA-N 2 1 323.444 3.302 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1 ZINC001157451620 1089973077 /nfs/dbraw/zinc/97/30/77/1089973077.db2.gz GMDZMLVLZSFCMY-IXDOHACOSA-N 2 1 320.456 3.131 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(N3C[C@H]([NH3+])Cc4ccccc43)cc2)C1 ZINC001162854243 1089992646 /nfs/dbraw/zinc/99/26/46/1089992646.db2.gz NOVFGFGBQFOVRW-QZTJIDSGSA-N 2 1 307.441 3.127 20 0 DGADMP CCc1c[nH]c2ncnc(NC[C@H]3CCC[N@@H+](CC(C)C)C3)c12 ZINC001162866843 1089997581 /nfs/dbraw/zinc/99/75/81/1089997581.db2.gz CUEJVLZNGSWRED-CQSZACIVSA-N 2 1 315.465 3.252 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@H+](CC(C)C)C3)c12 ZINC001162866843 1089997597 /nfs/dbraw/zinc/99/75/97/1089997597.db2.gz CUEJVLZNGSWRED-CQSZACIVSA-N 2 1 315.465 3.252 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@@H+](CC(C)C)C3)c12 ZINC001162866843 1089997611 /nfs/dbraw/zinc/99/76/11/1089997611.db2.gz CUEJVLZNGSWRED-CQSZACIVSA-N 2 1 315.465 3.252 20 0 DGADMP CCc1cc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)nc(CC)n1 ZINC001162867631 1089998077 /nfs/dbraw/zinc/99/80/77/1089998077.db2.gz LSRKUTJJHFVQNM-HNNXBMFYSA-N 2 1 304.482 3.381 20 0 DGADMP COc1cc2cc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c2cc1F ZINC001162985773 1090046690 /nfs/dbraw/zinc/04/66/90/1090046690.db2.gz BYQIUBSUIYWDIA-UHFFFAOYSA-N 2 1 315.392 3.327 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(N[C@@H]3C[NH2+]Cc4ccsc43)cc2)C1 ZINC001163236657 1090129415 /nfs/dbraw/zinc/12/94/15/1090129415.db2.gz GNNAKKDILKBNFV-DOTOQJQBSA-N 2 1 313.470 3.424 20 0 DGADMP Cc1ccc2c(C)cc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c2c1 ZINC001163310594 1090146878 /nfs/dbraw/zinc/14/68/78/1090146878.db2.gz MPSLGSQTGWLSRC-DNVCBOLYSA-N 2 1 311.429 3.175 20 0 DGADMP Cc1cc(NCc2cccnc2C2CC[NH2+]CC2)c2[nH+]ccn2c1 ZINC001163911414 1090285129 /nfs/dbraw/zinc/28/51/29/1090285129.db2.gz CZRJLAIANYLWJM-UHFFFAOYSA-N 2 1 321.428 3.117 20 0 DGADMP COc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1C(C)C ZINC001164217602 1090374788 /nfs/dbraw/zinc/37/47/88/1090374788.db2.gz YLCKQDAABGIKFS-UHFFFAOYSA-N 2 1 319.493 3.257 20 0 DGADMP C[NH+](C)C[C@@H]1CCCN1c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001165074872 1090460910 /nfs/dbraw/zinc/46/09/10/1090460910.db2.gz QJCXANXXKVGFOM-KRWDZBQOSA-N 2 1 324.472 3.365 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@H]2C[NH+](C)C)nc1 ZINC001165074308 1090460931 /nfs/dbraw/zinc/46/09/31/1090460931.db2.gz KPLKTMZBLXADAR-MSOLQXFVSA-N 2 1 316.493 3.159 20 0 DGADMP Cc1cnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1C ZINC001165083101 1090461662 /nfs/dbraw/zinc/46/16/62/1090461662.db2.gz VQOUZRXWNULXAN-MOPGFXCFSA-N 2 1 307.441 3.409 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(N)cc[nH+]1 ZINC001165181536 1090475464 /nfs/dbraw/zinc/47/54/64/1090475464.db2.gz JHBQIEUDGQIYSF-MAUKXSAKSA-N 2 1 310.445 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(N(C)C)cc[nH+]1 ZINC001165203545 1090479953 /nfs/dbraw/zinc/47/99/53/1090479953.db2.gz YIBKZIZHTNFLSG-DLBZAZTESA-N 2 1 324.472 3.247 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(N(C)C)cc[nH+]1 ZINC001165203546 1090480317 /nfs/dbraw/zinc/48/03/17/1090480317.db2.gz YIBKZIZHTNFLSG-IRXDYDNUSA-N 2 1 324.472 3.247 20 0 DGADMP COC(C)(C)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001165841876 1090553115 /nfs/dbraw/zinc/55/31/15/1090553115.db2.gz CXGSCKWKDKYXTE-OAHLLOKOSA-N 2 1 316.449 3.188 20 0 DGADMP COCC(C)(C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001166003124 1090569204 /nfs/dbraw/zinc/56/92/04/1090569204.db2.gz WNNNFZIQJSHXRI-OAHLLOKOSA-N 2 1 316.449 3.188 20 0 DGADMP C[NH+](C)Cc1c(F)cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1F ZINC001168602657 1090599931 /nfs/dbraw/zinc/59/99/31/1090599931.db2.gz TXIRURYLWMQWSI-IRXDYDNUSA-N 2 1 311.420 3.311 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2nonc21 ZINC001203140407 1090700307 /nfs/dbraw/zinc/70/03/07/1090700307.db2.gz PFTIADSSCDPVSF-JKSUJKDBSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2nonc21 ZINC001203140407 1090700311 /nfs/dbraw/zinc/70/03/11/1090700311.db2.gz PFTIADSSCDPVSF-JKSUJKDBSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2nonc21 ZINC001203140407 1090700318 /nfs/dbraw/zinc/70/03/18/1090700318.db2.gz PFTIADSSCDPVSF-JKSUJKDBSA-N 2 1 314.433 3.062 20 0 DGADMP COc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203822157 1090812805 /nfs/dbraw/zinc/81/28/05/1090812805.db2.gz BMMRQWVVLNAWBY-WOJBJXKFSA-N 2 1 322.452 3.259 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867851 1090823604 /nfs/dbraw/zinc/82/36/04/1090823604.db2.gz RWWQNYKTEKGVFZ-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867851 1090823609 /nfs/dbraw/zinc/82/36/09/1090823609.db2.gz RWWQNYKTEKGVFZ-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867851 1090823611 /nfs/dbraw/zinc/82/36/11/1090823611.db2.gz RWWQNYKTEKGVFZ-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203867851 1090823617 /nfs/dbraw/zinc/82/36/17/1090823617.db2.gz RWWQNYKTEKGVFZ-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001203955196 1090849319 /nfs/dbraw/zinc/84/93/19/1090849319.db2.gz ICDYHMPICYWRRK-UHFFFAOYSA-N 2 1 311.429 3.138 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC001204000724 1090863987 /nfs/dbraw/zinc/86/39/87/1090863987.db2.gz OGJWYISNEQHDPP-UHFFFAOYSA-N 2 1 323.440 3.470 20 0 DGADMP C([C@@H]1CCCO1)[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276434435 1090864409 /nfs/dbraw/zinc/86/44/09/1090864409.db2.gz RRSFGOOZANQEIH-OALUTQOASA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276434435 1090864414 /nfs/dbraw/zinc/86/44/14/1090864414.db2.gz RRSFGOOZANQEIH-OALUTQOASA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276434435 1090864416 /nfs/dbraw/zinc/86/44/16/1090864416.db2.gz RRSFGOOZANQEIH-OALUTQOASA-N 2 1 306.494 3.286 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@H]2C1 ZINC001204090074 1090899749 /nfs/dbraw/zinc/89/97/49/1090899749.db2.gz VMIAMQCVLUQDHX-SDDRHHMPSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@H]2C1 ZINC001204090074 1090899753 /nfs/dbraw/zinc/89/97/53/1090899753.db2.gz VMIAMQCVLUQDHX-SDDRHHMPSA-N 2 1 304.381 3.197 20 0 DGADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276442208 1090905651 /nfs/dbraw/zinc/90/56/51/1090905651.db2.gz ALQAZHQDKSKLNW-MOPGFXCFSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCCO1)[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276442208 1090905655 /nfs/dbraw/zinc/90/56/55/1090905655.db2.gz ALQAZHQDKSKLNW-MOPGFXCFSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCCO1)[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276442208 1090905659 /nfs/dbraw/zinc/90/56/59/1090905659.db2.gz ALQAZHQDKSKLNW-MOPGFXCFSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC001204268392 1090937526 /nfs/dbraw/zinc/93/75/26/1090937526.db2.gz KDAZKQOONUKXLA-KRWDZBQOSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC001276452048 1090942612 /nfs/dbraw/zinc/94/26/12/1090942612.db2.gz RCQAQPMYQQRHNE-HXUWFJFHSA-N 2 1 321.553 3.306 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001204309089 1090946261 /nfs/dbraw/zinc/94/62/61/1090946261.db2.gz BPTWPQFAMPSXEU-ROUUACIJSA-N 2 1 302.462 3.249 20 0 DGADMP CC/C=C\CCC[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276465571 1090972150 /nfs/dbraw/zinc/97/21/50/1090972150.db2.gz KRHIYSWPBTZYKE-WAYWQWQTSA-N 2 1 307.526 3.082 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)CCO3)CC1 ZINC001204492240 1090982120 /nfs/dbraw/zinc/98/21/20/1090982120.db2.gz CAZOAAZSENSQIG-UHFFFAOYSA-N 2 1 302.462 3.174 20 0 DGADMP CC(C)c1nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cs1 ZINC001117594981 1091025216 /nfs/dbraw/zinc/02/52/16/1091025216.db2.gz KYOZPXFVFSQPAM-OAHLLOKOSA-N 2 1 307.507 3.430 20 0 DGADMP c1ccn(-c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)c1 ZINC001204742084 1091027506 /nfs/dbraw/zinc/02/75/06/1091027506.db2.gz HGWJTYTUNPWOGL-UHFFFAOYSA-N 2 1 309.457 3.443 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@H]2C1 ZINC001204851236 1091047912 /nfs/dbraw/zinc/04/79/12/1091047912.db2.gz XRWDHHJWYOAROL-HUUCEWRRSA-N 2 1 310.388 3.062 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204939670 1091067690 /nfs/dbraw/zinc/06/76/90/1091067690.db2.gz SDBNJKHFGZPMQL-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204939670 1091067694 /nfs/dbraw/zinc/06/76/94/1091067694.db2.gz SDBNJKHFGZPMQL-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205009573 1091083562 /nfs/dbraw/zinc/08/35/62/1091083562.db2.gz XKCFBPGVRYYIIG-QGZVFWFLSA-N 2 1 311.473 3.337 20 0 DGADMP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(F)c1Br ZINC001205058800 1091092196 /nfs/dbraw/zinc/09/21/96/1091092196.db2.gz TUJWDRKVWRKPGQ-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205110653 1091105864 /nfs/dbraw/zinc/10/58/64/1091105864.db2.gz XQNDWGXGFRPBAT-LBPRGKRZSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205110653 1091105865 /nfs/dbraw/zinc/10/58/65/1091105865.db2.gz XQNDWGXGFRPBAT-LBPRGKRZSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001205131420 1091108987 /nfs/dbraw/zinc/10/89/87/1091108987.db2.gz YFDWZUWALBJVKW-MRXNPFEDSA-N 2 1 312.413 3.498 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135921 1091109837 /nfs/dbraw/zinc/10/98/37/1091109837.db2.gz GWIUOQVQMADELO-HNAYVOBHSA-N 2 1 310.441 3.389 20 0 DGADMP CCc1sc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145759 1091111461 /nfs/dbraw/zinc/11/14/61/1091111461.db2.gz FUXCVCAUHWFYKF-VHSXEESVSA-N 2 1 317.296 3.100 20 0 DGADMP CCc1sc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145759 1091111464 /nfs/dbraw/zinc/11/14/64/1091111464.db2.gz FUXCVCAUHWFYKF-VHSXEESVSA-N 2 1 317.296 3.100 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](CCc2cccc(Br)c2)CC1 ZINC001205254771 1091151501 /nfs/dbraw/zinc/15/15/01/1091151501.db2.gz BBMAZAGLUQAGFK-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2cccc(Br)c2)CC1 ZINC001205254771 1091151504 /nfs/dbraw/zinc/15/15/04/1091151504.db2.gz BBMAZAGLUQAGFK-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@]1([NH3+])CCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254768 1091151572 /nfs/dbraw/zinc/15/15/72/1091151572.db2.gz AYTUZTVBERTFPN-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254768 1091151576 /nfs/dbraw/zinc/15/15/76/1091151576.db2.gz AYTUZTVBERTFPN-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254768 1091151580 /nfs/dbraw/zinc/15/15/80/1091151580.db2.gz AYTUZTVBERTFPN-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205254768 1091151584 /nfs/dbraw/zinc/15/15/84/1091151584.db2.gz AYTUZTVBERTFPN-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254768 1091151590 /nfs/dbraw/zinc/15/15/90/1091151590.db2.gz AYTUZTVBERTFPN-UXHICEINSA-N 3 1 315.505 3.102 20 0 DGADMP Cc1c2ccccc2[nH]c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001138397343 1091167440 /nfs/dbraw/zinc/16/74/40/1091167440.db2.gz PCZHKHKGHUVCOY-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205297081 1091171904 /nfs/dbraw/zinc/17/19/04/1091171904.db2.gz YPVCHWCCNHENMJ-JSGCOSHPSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H]1C[NH3+] ZINC001205303430 1091173379 /nfs/dbraw/zinc/17/33/79/1091173379.db2.gz FLMDVSXQWXQQRO-WMLDXEAASA-N 2 1 302.462 3.207 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC001205303182 1091173688 /nfs/dbraw/zinc/17/36/88/1091173688.db2.gz ASJUPODHVAYWHG-WMLDXEAASA-N 2 1 313.420 3.304 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)C[C@@H]1C[NH3+] ZINC001205304046 1091174485 /nfs/dbraw/zinc/17/44/85/1091174485.db2.gz NFJVVVUWKQMILQ-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)C[C@@H]1C[NH3+] ZINC001205304046 1091174491 /nfs/dbraw/zinc/17/44/91/1091174491.db2.gz NFJVVVUWKQMILQ-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304757 1091175592 /nfs/dbraw/zinc/17/55/92/1091175592.db2.gz PLOOYODHRSMRSA-DGCLKSJQSA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304757 1091175606 /nfs/dbraw/zinc/17/56/06/1091175606.db2.gz PLOOYODHRSMRSA-DGCLKSJQSA-N 2 1 316.367 3.131 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC001205305150 1091176374 /nfs/dbraw/zinc/17/63/74/1091176374.db2.gz RGVFZQJCULVFRT-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC001205305150 1091176377 /nfs/dbraw/zinc/17/63/77/1091176377.db2.gz RGVFZQJCULVFRT-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205306772 1091176741 /nfs/dbraw/zinc/17/67/41/1091176741.db2.gz ZTPLXZZVOOLZHD-SMDDNHRTSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205305950 1091177475 /nfs/dbraw/zinc/17/74/75/1091177475.db2.gz URVHFBQGASCBST-WFASDCNBSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205305950 1091177479 /nfs/dbraw/zinc/17/74/79/1091177479.db2.gz URVHFBQGASCBST-WFASDCNBSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC001205315949 1091179811 /nfs/dbraw/zinc/17/98/11/1091179811.db2.gz ICUSBPICFVXIQF-OXQOHEQNSA-N 2 1 309.457 3.474 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c2)cc1 ZINC001205315941 1091180116 /nfs/dbraw/zinc/18/01/16/1091180116.db2.gz ICUSBPICFVXIQF-JXFKEZNVSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC001205315870 1091180233 /nfs/dbraw/zinc/18/02/33/1091180233.db2.gz HWAWXDPTIHCYOB-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC001205315870 1091180237 /nfs/dbraw/zinc/18/02/37/1091180237.db2.gz HWAWXDPTIHCYOB-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)s2)C1 ZINC001138494801 1091206746 /nfs/dbraw/zinc/20/67/46/1091206746.db2.gz LKMRYKVCVDOEIM-CQSZACIVSA-N 2 1 317.458 3.171 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)s2)C1 ZINC001138494801 1091206753 /nfs/dbraw/zinc/20/67/53/1091206753.db2.gz LKMRYKVCVDOEIM-CQSZACIVSA-N 2 1 317.458 3.171 20 0 DGADMP CCCc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)s1 ZINC001138524550 1091213829 /nfs/dbraw/zinc/21/38/29/1091213829.db2.gz ORMBTIDPLXFSQF-UHFFFAOYSA-N 2 1 321.490 3.331 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1 ZINC001138545123 1091221661 /nfs/dbraw/zinc/22/16/61/1091221661.db2.gz SABQVUBYMZHBIH-HKUYNNGSSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1 ZINC001138545123 1091221670 /nfs/dbraw/zinc/22/16/70/1091221670.db2.gz SABQVUBYMZHBIH-HKUYNNGSSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC001138547206 1091223836 /nfs/dbraw/zinc/22/38/36/1091223836.db2.gz HRRQCSMABGXTSC-INIZCTEOSA-N 2 1 303.356 3.412 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC001138547206 1091223840 /nfs/dbraw/zinc/22/38/40/1091223840.db2.gz HRRQCSMABGXTSC-INIZCTEOSA-N 2 1 303.356 3.412 20 0 DGADMP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138549270 1091225961 /nfs/dbraw/zinc/22/59/61/1091225961.db2.gz UJCDHQGXKWZVSV-LJQANCHMSA-N 2 1 312.461 3.097 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001205545199 1091247335 /nfs/dbraw/zinc/24/73/35/1091247335.db2.gz AJUVFOKCRLOVCZ-IBGZPJMESA-N 2 1 319.468 3.056 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138608075 1091250714 /nfs/dbraw/zinc/25/07/14/1091250714.db2.gz XJYFOPNSXISZDZ-OALUTQOASA-N 2 1 313.489 3.060 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001205558008 1091251519 /nfs/dbraw/zinc/25/15/19/1091251519.db2.gz AHGLSAAOQQWVLS-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001205559465 1091252886 /nfs/dbraw/zinc/25/28/86/1091252886.db2.gz RGCORYMNYNMVEA-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001205559465 1091252894 /nfs/dbraw/zinc/25/28/94/1091252894.db2.gz RGCORYMNYNMVEA-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001205558212 1091254060 /nfs/dbraw/zinc/25/40/60/1091254060.db2.gz CVDVMHNSXBILSA-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001205558212 1091254071 /nfs/dbraw/zinc/25/40/71/1091254071.db2.gz CVDVMHNSXBILSA-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559813 1091255820 /nfs/dbraw/zinc/25/58/20/1091255820.db2.gz UXTAAZQNRHFTPN-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1OC(C)C ZINC001205580113 1091264146 /nfs/dbraw/zinc/26/41/46/1091264146.db2.gz QAEFQKSPSHLWCA-SFHVURJKSA-N 2 1 308.441 3.435 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001205578536 1091264728 /nfs/dbraw/zinc/26/47/28/1091264728.db2.gz FBTDCLKFEQBCDK-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001205578536 1091264734 /nfs/dbraw/zinc/26/47/34/1091264734.db2.gz FBTDCLKFEQBCDK-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001205581516 1091266847 /nfs/dbraw/zinc/26/68/47/1091266847.db2.gz UZBZWANOBNCREB-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)cc1Cl ZINC001205592482 1091269998 /nfs/dbraw/zinc/26/99/98/1091269998.db2.gz VHEHBCZHUDHGGI-HNNXBMFYSA-N 2 1 302.796 3.440 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591285 1091270656 /nfs/dbraw/zinc/27/06/56/1091270656.db2.gz JPYRBGAUBXIGEI-QGZVFWFLSA-N 2 1 312.404 3.266 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cccc2n1 ZINC001205592017 1091270676 /nfs/dbraw/zinc/27/06/76/1091270676.db2.gz PXSTWBVDNWXNIW-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1C ZINC001205592294 1091270729 /nfs/dbraw/zinc/27/07/29/1091270729.db2.gz RXFHVVZOCHCIOB-GOSISDBHSA-N 2 1 323.456 3.222 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205601921 1091274425 /nfs/dbraw/zinc/27/44/25/1091274425.db2.gz GSAZQKYAQGYUDK-TZMCWYRMSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205605272 1091275000 /nfs/dbraw/zinc/27/50/00/1091275000.db2.gz ZRLWKDRIRGJVBE-OCCSQVGLSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)CC[C@H]1C[NH3+] ZINC001205618470 1091284578 /nfs/dbraw/zinc/28/45/78/1091284578.db2.gz WGPNMEMBQOISRL-MSOLQXFVSA-N 2 1 315.505 3.484 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205618339 1091284697 /nfs/dbraw/zinc/28/46/97/1091284697.db2.gz UWMIXYXOXQIDNQ-HIFRSBDPSA-N 2 1 312.404 3.137 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205627211 1091285605 /nfs/dbraw/zinc/28/56/05/1091285605.db2.gz NWMSJCWLEHPIIO-HUUCEWRRSA-N 2 1 315.461 3.373 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc3cccnc3cc2F)CC[C@H]1C[NH3+] ZINC001205626872 1091286353 /nfs/dbraw/zinc/28/63/53/1091286353.db2.gz JZEFAQJGTMUGOV-ZFWWWQNUSA-N 2 1 301.409 3.181 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205629185 1091287929 /nfs/dbraw/zinc/28/79/29/1091287929.db2.gz YFKNHKQTJDWUHT-BBRMVZONSA-N 2 1 306.498 3.062 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205628536 1091287962 /nfs/dbraw/zinc/28/79/62/1091287962.db2.gz VVHKGYCJCLDQQX-DGCLKSJQSA-N 2 1 315.383 3.216 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205638768 1091292921 /nfs/dbraw/zinc/29/29/21/1091292921.db2.gz RVGDJAMXQJRGOM-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)ccc2s1 ZINC001205638873 1091293049 /nfs/dbraw/zinc/29/30/49/1091293049.db2.gz SSDBQIGZFHZXTB-IUODEOHRSA-N 2 1 303.475 3.412 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651301 1091296064 /nfs/dbraw/zinc/29/60/64/1091296064.db2.gz CHTRPIKYVUDEKQ-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651376 1091296106 /nfs/dbraw/zinc/29/61/06/1091296106.db2.gz DESGBUSWZJCWNL-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CC[C@H]1C[NH3+] ZINC001205651762 1091296228 /nfs/dbraw/zinc/29/62/28/1091296228.db2.gz JQQJBURGFLCVNI-JSGCOSHPSA-N 2 1 318.852 3.090 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC[C@H]1C[NH3+] ZINC001205652991 1091297834 /nfs/dbraw/zinc/29/78/34/1091297834.db2.gz RSNYYDHRTKDLAT-RDJZCZTQSA-N 2 1 319.468 3.233 20 0 DGADMP COc1cccc2c(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)ccnc12 ZINC001205653713 1091298635 /nfs/dbraw/zinc/29/86/35/1091298635.db2.gz UQQHZYUDECMTHP-GJZGRUSLSA-N 2 1 313.445 3.050 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001205683116 1091309542 /nfs/dbraw/zinc/30/95/42/1091309542.db2.gz XVFONAGICBXGLQ-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001138738425 1091309682 /nfs/dbraw/zinc/30/96/82/1091309682.db2.gz PQKCIIKGBKFMKK-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2[nH]1 ZINC001138739669 1091309722 /nfs/dbraw/zinc/30/97/22/1091309722.db2.gz ZBDZVSFBZVDLCL-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP c1cc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2[nH]1 ZINC001138739669 1091309727 /nfs/dbraw/zinc/30/97/27/1091309727.db2.gz ZBDZVSFBZVDLCL-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnoc2)CC3)c1 ZINC001205684912 1091311637 /nfs/dbraw/zinc/31/16/37/1091311637.db2.gz SGVMVESECQUNOB-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001276484422 1091326268 /nfs/dbraw/zinc/32/62/68/1091326268.db2.gz GOZYQIDSUKIKIO-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001276484422 1091326286 /nfs/dbraw/zinc/32/62/86/1091326286.db2.gz GOZYQIDSUKIKIO-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001276484422 1091326293 /nfs/dbraw/zinc/32/62/93/1091326293.db2.gz GOZYQIDSUKIKIO-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc21 ZINC001138919027 1091377969 /nfs/dbraw/zinc/37/79/69/1091377969.db2.gz XSJQKWPCOOPRDE-CALCHBBNSA-N 2 1 319.452 3.325 20 0 DGADMP Cn1c2ccccc2c2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)ccc21 ZINC001138919027 1091377980 /nfs/dbraw/zinc/37/79/80/1091377980.db2.gz XSJQKWPCOOPRDE-CALCHBBNSA-N 2 1 319.452 3.325 20 0 DGADMP Cn1c2ccccc2c2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc21 ZINC001138919027 1091377989 /nfs/dbraw/zinc/37/79/89/1091377989.db2.gz XSJQKWPCOOPRDE-CALCHBBNSA-N 2 1 319.452 3.325 20 0 DGADMP FC[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)C[C@H]1C(F)(F)F ZINC001205895524 1091395785 /nfs/dbraw/zinc/39/57/85/1091395785.db2.gz HLFMKDPVSGLZQQ-TZMCWYRMSA-N 2 1 310.379 3.379 20 0 DGADMP FC[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)C[C@H]1C(F)(F)F ZINC001205895524 1091395802 /nfs/dbraw/zinc/39/58/02/1091395802.db2.gz HLFMKDPVSGLZQQ-TZMCWYRMSA-N 2 1 310.379 3.379 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccc(Br)cc1 ZINC001205902217 1091399658 /nfs/dbraw/zinc/39/96/58/1091399658.db2.gz IXPKSSQSZWOOFY-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001205904656 1091402114 /nfs/dbraw/zinc/40/21/14/1091402114.db2.gz WELGKNIMMJJGRD-LSDHHAIUSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccn1-c1ccccc1F ZINC001205904656 1091402119 /nfs/dbraw/zinc/40/21/19/1091402119.db2.gz WELGKNIMMJJGRD-LSDHHAIUSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914075 1091407288 /nfs/dbraw/zinc/40/72/88/1091407288.db2.gz KUDMKYSIJXBYGL-WFASDCNBSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914075 1091407292 /nfs/dbraw/zinc/40/72/92/1091407292.db2.gz KUDMKYSIJXBYGL-WFASDCNBSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915839 1091409008 /nfs/dbraw/zinc/40/90/08/1091409008.db2.gz QVQQENHJNIQPCI-DZGCQCFKSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915839 1091409013 /nfs/dbraw/zinc/40/90/13/1091409013.db2.gz QVQQENHJNIQPCI-DZGCQCFKSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001205915652 1091409036 /nfs/dbraw/zinc/40/90/36/1091409036.db2.gz QBUAMCBRWGMTAQ-KBPBESRZSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001205914559 1091409278 /nfs/dbraw/zinc/40/92/78/1091409278.db2.gz NAHYOQGPJUNMSD-DZGCQCFKSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001205914561 1091409344 /nfs/dbraw/zinc/40/93/44/1091409344.db2.gz NAHYOQGPJUNMSD-UKRRQHHQSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205914428 1091409838 /nfs/dbraw/zinc/40/98/38/1091409838.db2.gz LWDXJVSDMTTXQP-RHSMWYFYSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914487 1091410163 /nfs/dbraw/zinc/41/01/63/1091410163.db2.gz MJWVMJLMRMKKMI-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914487 1091410170 /nfs/dbraw/zinc/41/01/70/1091410170.db2.gz MJWVMJLMRMKKMI-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(C)C ZINC001205992580 1091439483 /nfs/dbraw/zinc/43/94/83/1091439483.db2.gz FKFPGGYFDPOFIZ-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205992568 1091439804 /nfs/dbraw/zinc/43/98/04/1091439804.db2.gz FJJHLQBARNRUDT-ZWKOTPCHSA-N 2 1 315.505 3.484 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205996163 1091441933 /nfs/dbraw/zinc/44/19/33/1091441933.db2.gz VPJZUMCOAQKXHN-GXTWGEPZSA-N 2 1 316.367 3.392 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c2c1 ZINC001206004691 1091446352 /nfs/dbraw/zinc/44/63/52/1091446352.db2.gz UMJYLWSSGGYXMP-HUUCEWRRSA-N 2 1 315.461 3.373 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(CC)c1O ZINC001206011541 1091449152 /nfs/dbraw/zinc/44/91/52/1091449152.db2.gz DOSXOCDSMDUWSN-KBXCAEBGSA-N 2 1 304.478 3.324 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(Cl)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206011384 1091449656 /nfs/dbraw/zinc/44/96/56/1091449656.db2.gz CBQLTBGHRIOMOK-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206012069 1091449675 /nfs/dbraw/zinc/44/96/75/1091449675.db2.gz IRNVFHDGVDNOPE-CVEARBPZSA-N 2 1 320.477 3.289 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC001206011241 1091450212 /nfs/dbraw/zinc/45/02/12/1091450212.db2.gz AWRIXSLCSWTGIB-CABCVRRESA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206021608 1091454616 /nfs/dbraw/zinc/45/46/16/1091454616.db2.gz ALJXZCIFMBGXJV-AAEUAGOBSA-N 2 1 316.367 3.234 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206025182 1091455766 /nfs/dbraw/zinc/45/57/66/1091455766.db2.gz MQQYUDMYAMKEMB-GJZGRUSLSA-N 2 1 308.441 3.421 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206028284 1091457829 /nfs/dbraw/zinc/45/78/29/1091457829.db2.gz XZUHJKHWFKKXRA-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c2ccccc12 ZINC001206156246 1091511595 /nfs/dbraw/zinc/51/15/95/1091511595.db2.gz PHIJKUCFGRAWSJ-IAGOWNOFSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc12 ZINC001206156246 1091511605 /nfs/dbraw/zinc/51/16/05/1091511605.db2.gz PHIJKUCFGRAWSJ-IAGOWNOFSA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@@H]1F ZINC001206183230 1091525078 /nfs/dbraw/zinc/52/50/78/1091525078.db2.gz GEXPWWSGLRFSJW-LSDHHAIUSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@@H]1F ZINC001206183230 1091525086 /nfs/dbraw/zinc/52/50/86/1091525086.db2.gz GEXPWWSGLRFSJW-LSDHHAIUSA-N 2 1 307.800 3.149 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185646 1091526017 /nfs/dbraw/zinc/52/60/17/1091526017.db2.gz OOJUARBGPCWXJB-KBPBESRZSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185646 1091526025 /nfs/dbraw/zinc/52/60/25/1091526025.db2.gz OOJUARBGPCWXJB-KBPBESRZSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2)cc1 ZINC001206198261 1091532009 /nfs/dbraw/zinc/53/20/09/1091532009.db2.gz LYGDYSFMQLXAAD-RBUKOAKNSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2)cc1 ZINC001206198261 1091532015 /nfs/dbraw/zinc/53/20/15/1091532015.db2.gz LYGDYSFMQLXAAD-RBUKOAKNSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cnc1-c1ccccc1 ZINC001206211043 1091537461 /nfs/dbraw/zinc/53/74/61/1091537461.db2.gz MKMDXZCMHWGYFQ-ZWKOTPCHSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cnc1-c1ccccc1 ZINC001206211043 1091537465 /nfs/dbraw/zinc/53/74/65/1091537465.db2.gz MKMDXZCMHWGYFQ-ZWKOTPCHSA-N 2 1 313.420 3.318 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC001206318622 1091577074 /nfs/dbraw/zinc/57/70/74/1091577074.db2.gz SASOZFUQXWCMBH-CQSZACIVSA-N 2 1 302.249 3.339 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001206305122 1091572096 /nfs/dbraw/zinc/57/20/96/1091572096.db2.gz UDYZPTGSQNCEEM-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001206305122 1091572103 /nfs/dbraw/zinc/57/21/03/1091572103.db2.gz UDYZPTGSQNCEEM-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001206305122 1091572108 /nfs/dbraw/zinc/57/21/08/1091572108.db2.gz UDYZPTGSQNCEEM-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccn2Cc2ccccc2)CC1 ZINC001206318324 1091577130 /nfs/dbraw/zinc/57/71/30/1091577130.db2.gz PHMCPYOFMUDOHZ-HXUWFJFHSA-N 2 1 311.473 3.487 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C(CC)CC ZINC001206320908 1091577223 /nfs/dbraw/zinc/57/72/23/1091577223.db2.gz PBBRCNRYDMNFRA-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C(CC)CC ZINC001206320908 1091577232 /nfs/dbraw/zinc/57/72/32/1091577232.db2.gz PBBRCNRYDMNFRA-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC001206324402 1091579819 /nfs/dbraw/zinc/57/98/19/1091579819.db2.gz ASPKCHXYOPTQMR-LBPRGKRZSA-N 2 1 307.385 3.113 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001206326233 1091580933 /nfs/dbraw/zinc/58/09/33/1091580933.db2.gz LTXYMFAUFLXSSL-IBGZPJMESA-N 2 1 319.468 3.377 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc2c1OCC=C2 ZINC001206335651 1091583727 /nfs/dbraw/zinc/58/37/27/1091583727.db2.gz HOHFIEDPGJIWLU-LJQANCHMSA-N 2 1 316.445 3.052 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001206369389 1091601875 /nfs/dbraw/zinc/60/18/75/1091601875.db2.gz DAQJGGOGXUVVMR-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001206369389 1091601879 /nfs/dbraw/zinc/60/18/79/1091601879.db2.gz DAQJGGOGXUVVMR-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP CCOc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001139596938 1091615621 /nfs/dbraw/zinc/61/56/21/1091615621.db2.gz GMAYYFSPGYZTHV-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001206500672 1091651097 /nfs/dbraw/zinc/65/10/97/1091651097.db2.gz OPKKWVRGIQCUCB-UHFFFAOYSA-N 2 1 304.331 3.405 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2c1 ZINC001206548088 1091665207 /nfs/dbraw/zinc/66/52/07/1091665207.db2.gz FWWIAQIXHIEORD-SFHVURJKSA-N 2 1 302.418 3.392 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC001206549840 1091665559 /nfs/dbraw/zinc/66/55/59/1091665559.db2.gz QQDJUUUIIKLSPL-MRXNPFEDSA-N 2 1 304.463 3.089 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3cccnc3cc2F)C1 ZINC001206554502 1091666825 /nfs/dbraw/zinc/66/68/25/1091666825.db2.gz DFDSAHWRKKESIC-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001206572082 1091672969 /nfs/dbraw/zinc/67/29/69/1091672969.db2.gz AOGQLBQXEJWBPU-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP CC(C)Oc1ncccc1CC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583802 1091678590 /nfs/dbraw/zinc/67/85/90/1091678590.db2.gz WUZDPGUXXGUNLP-SFHVURJKSA-N 2 1 319.493 3.264 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC001206615481 1091690290 /nfs/dbraw/zinc/69/02/90/1091690290.db2.gz FKTDUFXGGNTCJR-MRXNPFEDSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615896 1091690811 /nfs/dbraw/zinc/69/08/11/1091690811.db2.gz KCOHTVGUJQCTLG-KRWDZBQOSA-N 2 1 312.461 3.050 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682943 1091700435 /nfs/dbraw/zinc/70/04/35/1091700435.db2.gz CEUHMKTUTWTWIG-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682943 1091700441 /nfs/dbraw/zinc/70/04/41/1091700441.db2.gz CEUHMKTUTWTWIG-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCc1ccccc1Br ZINC001206760416 1091726704 /nfs/dbraw/zinc/72/67/04/1091726704.db2.gz FWQZCRCVNJAFGJ-STQMWFEESA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1Br ZINC001206760416 1091726709 /nfs/dbraw/zinc/72/67/09/1091726709.db2.gz FWQZCRCVNJAFGJ-STQMWFEESA-N 2 1 311.267 3.051 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(OC(F)(F)F)c1 ZINC001206769235 1091732124 /nfs/dbraw/zinc/73/21/24/1091732124.db2.gz NKKQNVZIFUSULJ-CHWSQXEVSA-N 2 1 316.367 3.453 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC001206801719 1091746559 /nfs/dbraw/zinc/74/65/59/1091746559.db2.gz YZQHXNRKAADRGP-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(OC(C)C)c1 ZINC001206810139 1091749565 /nfs/dbraw/zinc/74/95/65/1091749565.db2.gz NDHOKHHZNSHMOY-LSDHHAIUSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(OC(C)C)c1 ZINC001206810139 1091749572 /nfs/dbraw/zinc/74/95/72/1091749572.db2.gz NDHOKHHZNSHMOY-LSDHHAIUSA-N 2 1 306.450 3.042 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)no1 ZINC001206817765 1091751717 /nfs/dbraw/zinc/75/17/17/1091751717.db2.gz PUKXQXGAUDGWKO-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)no1 ZINC001206817765 1091751728 /nfs/dbraw/zinc/75/17/28/1091751728.db2.gz PUKXQXGAUDGWKO-UHFFFAOYSA-N 2 1 315.417 3.064 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(O)c(F)c2F)CC1 ZINC001206854797 1091771283 /nfs/dbraw/zinc/77/12/83/1091771283.db2.gz CNTXATRWCVNRNF-UHFFFAOYSA-N 2 1 312.404 3.271 20 0 DGADMP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)cc1O ZINC001140204010 1091801013 /nfs/dbraw/zinc/80/10/13/1091801013.db2.gz OJKNKYCOULNSBY-UHFFFAOYSA-N 2 1 302.462 3.459 20 0 DGADMP c1[nH]nc2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc12 ZINC001140386360 1091846139 /nfs/dbraw/zinc/84/61/39/1091846139.db2.gz DQEIVDITBSEGNG-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140410621 1091854519 /nfs/dbraw/zinc/85/45/19/1091854519.db2.gz VFYWXMABZABBKX-UHFFFAOYSA-N 2 1 318.852 3.181 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140410621 1091854522 /nfs/dbraw/zinc/85/45/22/1091854522.db2.gz VFYWXMABZABBKX-UHFFFAOYSA-N 2 1 318.852 3.181 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4C)C[C@@H]3C2)cc1 ZINC001207149566 1091862314 /nfs/dbraw/zinc/86/23/14/1091862314.db2.gz UTWDNIZBFKQYKA-SFTDATJTSA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cncc(C)c4)C[C@H]3C2)cc1 ZINC001207155765 1091867902 /nfs/dbraw/zinc/86/79/02/1091867902.db2.gz BNNRJMAHIIFAOY-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001207186947 1091879481 /nfs/dbraw/zinc/87/94/81/1091879481.db2.gz YQSUGHZSXBWVNE-IBGZPJMESA-N 3 1 307.526 3.105 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001207186947 1091879485 /nfs/dbraw/zinc/87/94/85/1091879485.db2.gz YQSUGHZSXBWVNE-IBGZPJMESA-N 3 1 307.526 3.105 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140492546 1091889121 /nfs/dbraw/zinc/88/91/21/1091889121.db2.gz USSGHLMXLSTUEA-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140492546 1091889128 /nfs/dbraw/zinc/88/91/28/1091889128.db2.gz USSGHLMXLSTUEA-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP COC(=O)CCC[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207275117 1091905522 /nfs/dbraw/zinc/90/55/22/1091905522.db2.gz KBVIPRGVIKSIKU-UHFFFAOYSA-N 2 1 320.477 3.030 20 0 DGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207275117 1091905529 /nfs/dbraw/zinc/90/55/29/1091905529.db2.gz KBVIPRGVIKSIKU-UHFFFAOYSA-N 2 1 320.477 3.030 20 0 DGADMP FC1(F)C[C@@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001207286825 1091913010 /nfs/dbraw/zinc/91/30/10/1091913010.db2.gz NIMWICVNBNUNAG-MSOLQXFVSA-N 2 1 320.427 3.486 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001207292373 1091914268 /nfs/dbraw/zinc/91/42/68/1091914268.db2.gz QCPXOURKLNGVHK-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP CC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290765 1091914593 /nfs/dbraw/zinc/91/45/93/1091914593.db2.gz BWFTVNVGVJRFIM-HXUWFJFHSA-N 2 1 314.473 3.342 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001207401717 1091956299 /nfs/dbraw/zinc/95/62/99/1091956299.db2.gz RZOLHISIVTVBJF-SFHVURJKSA-N 2 1 320.502 3.127 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001140710694 1091969289 /nfs/dbraw/zinc/96/92/89/1091969289.db2.gz RDOLLPPVKOWJQH-WOJBJXKFSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001140710694 1091969295 /nfs/dbraw/zinc/96/92/95/1091969295.db2.gz RDOLLPPVKOWJQH-WOJBJXKFSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001140710694 1091969305 /nfs/dbraw/zinc/96/93/05/1091969305.db2.gz RDOLLPPVKOWJQH-WOJBJXKFSA-N 2 1 309.457 3.359 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207467238 1091976514 /nfs/dbraw/zinc/97/65/14/1091976514.db2.gz DRZUAWCIUPIVJE-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC1CC[NH+](C)CC1 ZINC001207487294 1091985333 /nfs/dbraw/zinc/98/53/33/1091985333.db2.gz WZBVNLQNIDTJCV-RBUKOAKNSA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207487294 1091985341 /nfs/dbraw/zinc/98/53/41/1091985341.db2.gz WZBVNLQNIDTJCV-RBUKOAKNSA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487294 1091985348 /nfs/dbraw/zinc/98/53/48/1091985348.db2.gz WZBVNLQNIDTJCV-RBUKOAKNSA-N 3 1 307.526 3.057 20 0 DGADMP CCO[C@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)C[NH+](C)C ZINC001207501476 1091992436 /nfs/dbraw/zinc/99/24/36/1091992436.db2.gz FNAREWVVCPNUAR-OTWHNJEPSA-N 2 1 304.478 3.053 20 0 DGADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc2c(c1)OCO2 ZINC001140806770 1092008683 /nfs/dbraw/zinc/00/86/83/1092008683.db2.gz ROYUTVVWMRNRJH-UHFFFAOYSA-N 2 1 309.369 3.314 20 0 DGADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc2c(c1)OCO2 ZINC001140806770 1092008695 /nfs/dbraw/zinc/00/86/95/1092008695.db2.gz ROYUTVVWMRNRJH-UHFFFAOYSA-N 2 1 309.369 3.314 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001140805988 1092012247 /nfs/dbraw/zinc/01/22/47/1092012247.db2.gz SKPOCOKJOBAPLE-UHFFFAOYSA-N 2 1 319.408 3.489 20 0 DGADMP Cc1c[nH]c(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1C ZINC001140860625 1092035006 /nfs/dbraw/zinc/03/50/06/1092035006.db2.gz RFELZUPEHVFIBA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1C ZINC001140860625 1092035016 /nfs/dbraw/zinc/03/50/16/1092035016.db2.gz RFELZUPEHVFIBA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001140860625 1092035026 /nfs/dbraw/zinc/03/50/26/1092035026.db2.gz RFELZUPEHVFIBA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1c[nH]c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001140860625 1092035034 /nfs/dbraw/zinc/03/50/34/1092035034.db2.gz RFELZUPEHVFIBA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001140860625 1092035044 /nfs/dbraw/zinc/03/50/44/1092035044.db2.gz RFELZUPEHVFIBA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001140860625 1092035048 /nfs/dbraw/zinc/03/50/48/1092035048.db2.gz RFELZUPEHVFIBA-IYBDPMFKSA-N 2 1 315.486 3.257 20 0 DGADMP c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140934945 1092068927 /nfs/dbraw/zinc/06/89/27/1092068927.db2.gz GPDVBSHBDWWVKZ-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140934945 1092068935 /nfs/dbraw/zinc/06/89/35/1092068935.db2.gz GPDVBSHBDWWVKZ-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140934945 1092068943 /nfs/dbraw/zinc/06/89/43/1092068943.db2.gz GPDVBSHBDWWVKZ-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2CCSCC2)CC1 ZINC001207707679 1092074193 /nfs/dbraw/zinc/07/41/93/1092074193.db2.gz XKVZNMOYCBVLEL-UHFFFAOYSA-N 2 1 305.491 3.072 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971134 1092088881 /nfs/dbraw/zinc/08/88/81/1092088881.db2.gz ISQXZXXYKFFZNC-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)[C@H]1C ZINC001140974144 1092091579 /nfs/dbraw/zinc/09/15/79/1092091579.db2.gz VMOVZMMYBLTVDA-IRXDYDNUSA-N 2 1 301.478 3.059 20 0 DGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207797321 1092102627 /nfs/dbraw/zinc/10/26/27/1092102627.db2.gz QCQLYRAMFOZSNH-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207797321 1092102637 /nfs/dbraw/zinc/10/26/37/1092102637.db2.gz QCQLYRAMFOZSNH-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CC1(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC001207799540 1092104446 /nfs/dbraw/zinc/10/44/46/1092104446.db2.gz AQEKVOFLACXMMD-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC001207799540 1092104454 /nfs/dbraw/zinc/10/44/54/1092104454.db2.gz AQEKVOFLACXMMD-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC001207799540 1092104462 /nfs/dbraw/zinc/10/44/62/1092104462.db2.gz AQEKVOFLACXMMD-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012377 1092106657 /nfs/dbraw/zinc/10/66/57/1092106657.db2.gz JXENKSBUYPHYIM-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012377 1092106661 /nfs/dbraw/zinc/10/66/61/1092106661.db2.gz JXENKSBUYPHYIM-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012377 1092106664 /nfs/dbraw/zinc/10/66/64/1092106664.db2.gz JXENKSBUYPHYIM-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012377 1092106668 /nfs/dbraw/zinc/10/66/68/1092106668.db2.gz JXENKSBUYPHYIM-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP CCCCc1nc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c[nH]1 ZINC001141070334 1092125312 /nfs/dbraw/zinc/12/53/12/1092125312.db2.gz VDYYQFDQFJIAFT-UHFFFAOYSA-N 2 1 318.509 3.306 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@@H]2CCCO2)C3)cc1 ZINC001207894632 1092130872 /nfs/dbraw/zinc/13/08/72/1092130872.db2.gz RYGGDURSKVYCER-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCO2)C3)cc1 ZINC001207894632 1092130880 /nfs/dbraw/zinc/13/08/80/1092130880.db2.gz RYGGDURSKVYCER-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCO2)C3)cc1 ZINC001207894632 1092130886 /nfs/dbraw/zinc/13/08/86/1092130886.db2.gz RYGGDURSKVYCER-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC001207962283 1092160459 /nfs/dbraw/zinc/16/04/59/1092160459.db2.gz LLGNNQLJEVLXAW-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC001207962283 1092160461 /nfs/dbraw/zinc/16/04/61/1092160461.db2.gz LLGNNQLJEVLXAW-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](Cc1ccccc1F)C1CCN(C[C@@H]2CCCCO2)CC1 ZINC001207962300 1092160862 /nfs/dbraw/zinc/16/08/62/1092160862.db2.gz MBGIRZVUOCUUKG-SFHVURJKSA-N 2 1 320.452 3.291 20 0 DGADMP CCc1ccccc1C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001141227694 1092185295 /nfs/dbraw/zinc/18/52/95/1092185295.db2.gz FCJDMIHVIICFRC-HXUWFJFHSA-N 2 1 316.489 3.324 20 0 DGADMP CCc1ccccc1C[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001141227694 1092185302 /nfs/dbraw/zinc/18/53/02/1092185302.db2.gz FCJDMIHVIICFRC-HXUWFJFHSA-N 2 1 316.489 3.324 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1(C)CC[NH+](C)CC1 ZINC001208110201 1092199017 /nfs/dbraw/zinc/19/90/17/1092199017.db2.gz XIPZWRGYWPNUHN-ZWKOTPCHSA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110201 1092199022 /nfs/dbraw/zinc/19/90/22/1092199022.db2.gz XIPZWRGYWPNUHN-ZWKOTPCHSA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110201 1092199027 /nfs/dbraw/zinc/19/90/27/1092199027.db2.gz XIPZWRGYWPNUHN-ZWKOTPCHSA-N 3 1 307.526 3.057 20 0 DGADMP C[N@@H+]1CC[C@H]2CN(Cc3c(F)c(F)cc(F)c3F)C[C@H]2CC1 ZINC001276557062 1092202935 /nfs/dbraw/zinc/20/29/35/1092202935.db2.gz UBHFBQKLJWZVGO-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3c(F)c(F)cc(F)c3F)C[C@H]2CC1 ZINC001276557062 1092202943 /nfs/dbraw/zinc/20/29/43/1092202943.db2.gz UBHFBQKLJWZVGO-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)c(F)cc(F)c3F)C[C@H]2CC1 ZINC001276557062 1092202952 /nfs/dbraw/zinc/20/29/52/1092202952.db2.gz UBHFBQKLJWZVGO-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)c(F)cc(F)c3F)C[C@H]2CC1 ZINC001276557062 1092202965 /nfs/dbraw/zinc/20/29/65/1092202965.db2.gz UBHFBQKLJWZVGO-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)c(F)cc(F)c3F)C[C@H]2CC1 ZINC001276557062 1092202976 /nfs/dbraw/zinc/20/29/76/1092202976.db2.gz UBHFBQKLJWZVGO-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP COc1ccccc1CC[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208186686 1092247959 /nfs/dbraw/zinc/24/79/59/1092247959.db2.gz YMPGAHRZSJAPBU-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208212980 1092271707 /nfs/dbraw/zinc/27/17/07/1092271707.db2.gz LDFZNSQFXBKVBE-OKZBNKHCSA-N 2 1 310.526 3.491 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208212980 1092271715 /nfs/dbraw/zinc/27/17/15/1092271715.db2.gz LDFZNSQFXBKVBE-OKZBNKHCSA-N 2 1 310.526 3.491 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208212980 1092271723 /nfs/dbraw/zinc/27/17/23/1092271723.db2.gz LDFZNSQFXBKVBE-OKZBNKHCSA-N 2 1 310.526 3.491 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208220662 1092277114 /nfs/dbraw/zinc/27/71/14/1092277114.db2.gz VOEPDWQYSHCMGR-INIZCTEOSA-N 2 1 307.482 3.363 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208220662 1092277127 /nfs/dbraw/zinc/27/71/27/1092277127.db2.gz VOEPDWQYSHCMGR-INIZCTEOSA-N 2 1 307.482 3.363 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331026 1092315193 /nfs/dbraw/zinc/31/51/93/1092315193.db2.gz JPHGSEAROXSCOR-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)ccc1C[NH+](C)C ZINC001142009952 1092385973 /nfs/dbraw/zinc/38/59/73/1092385973.db2.gz CEPKSKIWBPVSJO-SFHVURJKSA-N 2 1 317.477 3.116 20 0 DGADMP COCC[N@H+](Cc1ccc(SC)s1)C1CCN(C)CC1 ZINC001142025609 1092390038 /nfs/dbraw/zinc/39/00/38/1092390038.db2.gz DGDKMTYTCAXZSQ-UHFFFAOYSA-N 2 1 314.520 3.013 20 0 DGADMP COCC[N@@H+](Cc1ccc(SC)s1)C1CCN(C)CC1 ZINC001142025609 1092390044 /nfs/dbraw/zinc/39/00/44/1092390044.db2.gz DGDKMTYTCAXZSQ-UHFFFAOYSA-N 2 1 314.520 3.013 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001208600366 1092418753 /nfs/dbraw/zinc/41/87/53/1092418753.db2.gz PNUDBXBJQCHFHS-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001208602549 1092421802 /nfs/dbraw/zinc/42/18/02/1092421802.db2.gz HUYGAUPCQURKBC-SFHVURJKSA-N 2 1 302.462 3.216 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208606965 1092425378 /nfs/dbraw/zinc/42/53/78/1092425378.db2.gz KAWZCCJKDDVVAQ-MAUKXSAKSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208606965 1092425384 /nfs/dbraw/zinc/42/53/84/1092425384.db2.gz KAWZCCJKDDVVAQ-MAUKXSAKSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208606965 1092425386 /nfs/dbraw/zinc/42/53/86/1092425386.db2.gz KAWZCCJKDDVVAQ-MAUKXSAKSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208606965 1092425393 /nfs/dbraw/zinc/42/53/93/1092425393.db2.gz KAWZCCJKDDVVAQ-MAUKXSAKSA-N 2 1 320.502 3.127 20 0 DGADMP C[C@H]1OC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208615248 1092429298 /nfs/dbraw/zinc/42/92/98/1092429298.db2.gz TXWYWEVIICHYSK-IAGOWNOFSA-N 2 1 314.473 3.411 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208617389 1092431473 /nfs/dbraw/zinc/43/14/73/1092431473.db2.gz OVZHIPYMSZNNTA-RBUKOAKNSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208617389 1092431476 /nfs/dbraw/zinc/43/14/76/1092431476.db2.gz OVZHIPYMSZNNTA-RBUKOAKNSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC001208617389 1092431482 /nfs/dbraw/zinc/43/14/82/1092431482.db2.gz OVZHIPYMSZNNTA-RBUKOAKNSA-N 2 1 316.489 3.292 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208638478 1092439208 /nfs/dbraw/zinc/43/92/08/1092439208.db2.gz FXYSAZKNNHONHS-SFHVURJKSA-N 2 1 324.509 3.114 20 0 DGADMP CCCc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001142359465 1092469838 /nfs/dbraw/zinc/46/98/38/1092469838.db2.gz LNYRBPPDVYKBDX-UHFFFAOYSA-N 2 1 315.461 3.269 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208785715 1092506722 /nfs/dbraw/zinc/50/67/22/1092506722.db2.gz IATSLVUWENNIIO-FGTMMUONSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@H](CCC(=O)OC)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208785715 1092506738 /nfs/dbraw/zinc/50/67/38/1092506738.db2.gz IATSLVUWENNIIO-FGTMMUONSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@H](CCC(=O)OC)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208785715 1092506752 /nfs/dbraw/zinc/50/67/52/1092506752.db2.gz IATSLVUWENNIIO-FGTMMUONSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208787658 1092507234 /nfs/dbraw/zinc/50/72/34/1092507234.db2.gz KTSAODKQTNNWJA-MSOLQXFVSA-N 2 1 324.509 3.306 20 0 DGADMP c1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)sn1 ZINC001276591918 1092527573 /nfs/dbraw/zinc/52/75/73/1092527573.db2.gz VGHKGBLJEPWJTA-UHFFFAOYSA-N 2 1 305.491 3.374 20 0 DGADMP c1nc2c(cccc2CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)[nH]1 ZINC001142679395 1092528102 /nfs/dbraw/zinc/52/81/02/1092528102.db2.gz DSOBSSBMGYDRJU-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1nc2c(cccc2C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)[nH]1 ZINC001142679395 1092528129 /nfs/dbraw/zinc/52/81/29/1092528129.db2.gz DSOBSSBMGYDRJU-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1nc2c(cccc2C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)[nH]1 ZINC001142679395 1092528141 /nfs/dbraw/zinc/52/81/41/1092528141.db2.gz DSOBSSBMGYDRJU-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001169102329 1092533169 /nfs/dbraw/zinc/53/31/69/1092533169.db2.gz ZTWGHPIXADMSMX-IEWDOMPSSA-N 2 1 300.446 3.122 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC001169089247 1092537253 /nfs/dbraw/zinc/53/72/53/1092537253.db2.gz ACKKCNLAIBULFQ-VJDPLVQDSA-N 2 1 324.472 3.204 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Br)cc1)C2 ZINC001169092355 1092539653 /nfs/dbraw/zinc/53/96/53/1092539653.db2.gz BJIDNZBXWPHAKF-PHZGNYQRSA-N 2 1 323.278 3.206 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001169091790 1092539718 /nfs/dbraw/zinc/53/97/18/1092539718.db2.gz VAZLGILAIXNLJV-HAGHYFMRSA-N 2 1 313.489 3.038 20 0 DGADMP COc1ccccc1CC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118345 1092541428 /nfs/dbraw/zinc/54/14/28/1092541428.db2.gz HTTACLXYGFUNOO-BCDXTJNWSA-N 2 1 316.489 3.479 20 0 DGADMP COc1cccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001169122799 1092545136 /nfs/dbraw/zinc/54/51/36/1092545136.db2.gz DSBSKEZDOXQPHB-VXIBKDFQSA-N 2 1 300.446 3.361 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001169108352 1092553253 /nfs/dbraw/zinc/55/32/53/1092553253.db2.gz RSJXDWKXYRFKET-WCVJEAGWSA-N 2 1 309.457 3.255 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169115539 1092556563 /nfs/dbraw/zinc/55/65/63/1092556563.db2.gz KPXMRICZCXJTKV-NESYVKMTSA-N 2 1 307.526 3.372 20 0 DGADMP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169115539 1092556571 /nfs/dbraw/zinc/55/65/71/1092556571.db2.gz KPXMRICZCXJTKV-NESYVKMTSA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169115539 1092556575 /nfs/dbraw/zinc/55/65/75/1092556575.db2.gz KPXMRICZCXJTKV-NESYVKMTSA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169115539 1092556585 /nfs/dbraw/zinc/55/65/85/1092556585.db2.gz KPXMRICZCXJTKV-NESYVKMTSA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169115539 1092556592 /nfs/dbraw/zinc/55/65/92/1092556592.db2.gz KPXMRICZCXJTKV-NESYVKMTSA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169114840 1092556969 /nfs/dbraw/zinc/55/69/69/1092556969.db2.gz ZJGHUWPYVFQSSP-GGPHIMKMSA-N 3 1 307.526 3.102 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001169114840 1092556980 /nfs/dbraw/zinc/55/69/80/1092556980.db2.gz ZJGHUWPYVFQSSP-GGPHIMKMSA-N 2 1 307.526 3.102 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208880073 1092560166 /nfs/dbraw/zinc/56/01/66/1092560166.db2.gz IFUFJVUJXUKCKP-IBGZPJMESA-N 2 1 300.446 3.276 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208880073 1092560179 /nfs/dbraw/zinc/56/01/79/1092560179.db2.gz IFUFJVUJXUKCKP-IBGZPJMESA-N 2 1 300.446 3.276 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(n3ncc4ccccc43)CC1)C2 ZINC001169146593 1092560976 /nfs/dbraw/zinc/56/09/76/1092560976.db2.gz QLDGOHZSRINJCA-REPLKXPHSA-N 2 1 324.472 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001169147499 1092562889 /nfs/dbraw/zinc/56/28/89/1092562889.db2.gz UMQMOJCHRGVYPL-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001169147499 1092562899 /nfs/dbraw/zinc/56/28/99/1092562899.db2.gz UMQMOJCHRGVYPL-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169148087 1092563686 /nfs/dbraw/zinc/56/36/86/1092563686.db2.gz YHXVMCOHSLMEHF-PIIMJCKOSA-N 2 1 314.473 3.463 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccnc(C(C)(C)C)c1)CC2 ZINC001276596766 1092564942 /nfs/dbraw/zinc/56/49/42/1092564942.db2.gz ADJFZEPPJDGCGO-UHFFFAOYSA-N 2 1 301.478 3.297 20 0 DGADMP COC1(c2ccccc2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155579 1092570314 /nfs/dbraw/zinc/57/03/14/1092570314.db2.gz RPTKIJBVGLPHKS-REPLKXPHSA-N 2 1 314.473 3.249 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155154 1092570701 /nfs/dbraw/zinc/57/07/01/1092570701.db2.gz YQBRMSYAAPUQAD-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155154 1092570711 /nfs/dbraw/zinc/57/07/11/1092570711.db2.gz YQBRMSYAAPUQAD-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(OCC4CC4)C3)CC1)C2 ZINC001169140575 1092576049 /nfs/dbraw/zinc/57/60/49/1092576049.db2.gz SEFSUDKPVBFOMC-PIIMJCKOSA-N 2 1 318.505 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(OCC4CC4)C3)CC1)C2 ZINC001169140575 1092576061 /nfs/dbraw/zinc/57/60/61/1092576061.db2.gz SEFSUDKPVBFOMC-PIIMJCKOSA-N 2 1 318.505 3.283 20 0 DGADMP CC[NH+](CC)CCN(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208928450 1092590020 /nfs/dbraw/zinc/59/00/20/1092590020.db2.gz IDPZGOLCZRWFIQ-FQEVSTJZSA-N 2 1 317.521 3.172 20 0 DGADMP C[C@]1(O)CCCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931115 1092593299 /nfs/dbraw/zinc/59/32/99/1092593299.db2.gz HRBOLHBNVQZGRY-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931115 1092593305 /nfs/dbraw/zinc/59/33/05/1092593305.db2.gz HRBOLHBNVQZGRY-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@]1(O)CCCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931115 1092593312 /nfs/dbraw/zinc/59/33/12/1092593312.db2.gz HRBOLHBNVQZGRY-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccn2ccnc12 ZINC001142961255 1092594147 /nfs/dbraw/zinc/59/41/47/1092594147.db2.gz HUYCHAPYPGYKGV-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccn2ccnc12 ZINC001142961255 1092594159 /nfs/dbraw/zinc/59/41/59/1092594159.db2.gz HUYCHAPYPGYKGV-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccn2ccnc12 ZINC001142961255 1092594169 /nfs/dbraw/zinc/59/41/69/1092594169.db2.gz HUYCHAPYPGYKGV-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP COC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932378 1092595253 /nfs/dbraw/zinc/59/52/53/1092595253.db2.gz PLILLZKHLKYGQA-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC4(C3)CCOCC4)C2)cc1 ZINC001208936250 1092601052 /nfs/dbraw/zinc/60/10/52/1092601052.db2.gz NJNZBQYRUOZTPN-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948513 1092606852 /nfs/dbraw/zinc/60/68/52/1092606852.db2.gz QYGMXBMPASRRBA-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948513 1092606858 /nfs/dbraw/zinc/60/68/58/1092606858.db2.gz QYGMXBMPASRRBA-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948513 1092606860 /nfs/dbraw/zinc/60/68/60/1092606860.db2.gz QYGMXBMPASRRBA-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208948513 1092606865 /nfs/dbraw/zinc/60/68/65/1092606865.db2.gz QYGMXBMPASRRBA-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H](c4ccccn4)C3)C2)cc1 ZINC001208949656 1092609893 /nfs/dbraw/zinc/60/98/93/1092609893.db2.gz MWFSYFFJVBAGMH-VQTJNVASSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H](c4ccccn4)C3)C2)cc1 ZINC001208949656 1092609895 /nfs/dbraw/zinc/60/98/95/1092609895.db2.gz MWFSYFFJVBAGMH-VQTJNVASSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H](c4ccccn4)C3)C2)cc1 ZINC001208949656 1092609898 /nfs/dbraw/zinc/60/98/98/1092609898.db2.gz MWFSYFFJVBAGMH-VQTJNVASSA-N 2 1 321.468 3.393 20 0 DGADMP CCC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961091 1092611488 /nfs/dbraw/zinc/61/14/88/1092611488.db2.gz YUZCHAMNNMDGGS-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961091 1092611493 /nfs/dbraw/zinc/61/14/93/1092611493.db2.gz YUZCHAMNNMDGGS-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CCC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961091 1092611498 /nfs/dbraw/zinc/61/14/98/1092611498.db2.gz YUZCHAMNNMDGGS-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CCC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961091 1092611503 /nfs/dbraw/zinc/61/15/03/1092611503.db2.gz YUZCHAMNNMDGGS-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP c1nscc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276604516 1092611587 /nfs/dbraw/zinc/61/15/87/1092611587.db2.gz OMGKALSIYPAGRM-IYBDPMFKSA-N 2 1 305.491 3.230 20 0 DGADMP c1nscc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276604516 1092611592 /nfs/dbraw/zinc/61/15/92/1092611592.db2.gz OMGKALSIYPAGRM-IYBDPMFKSA-N 2 1 305.491 3.230 20 0 DGADMP c1nscc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276604516 1092611596 /nfs/dbraw/zinc/61/15/96/1092611596.db2.gz OMGKALSIYPAGRM-IYBDPMFKSA-N 2 1 305.491 3.230 20 0 DGADMP Cc1ccc2c(C)cc(NCc3ncn4c3C[NH2+]CCC4)[nH+]c2c1 ZINC001169239929 1092612649 /nfs/dbraw/zinc/61/26/49/1092612649.db2.gz DDJQHSKIGXVOHH-UHFFFAOYSA-N 2 1 321.428 3.154 20 0 DGADMP CC[NH+]1CCC(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001169245502 1092613897 /nfs/dbraw/zinc/61/38/97/1092613897.db2.gz GAQOPDVMWAQSRT-MSOLQXFVSA-N 2 1 315.505 3.066 20 0 DGADMP C[NH+]1CCC(COc2ccccc2NC2=CC[N@@H+](C)CC2)CC1 ZINC001208979486 1092614557 /nfs/dbraw/zinc/61/45/57/1092614557.db2.gz KBSOGIMEJHTGHU-UHFFFAOYSA-N 2 1 315.461 3.039 20 0 DGADMP CCN1CCC([N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001169246647 1092615194 /nfs/dbraw/zinc/61/51/94/1092615194.db2.gz TUMBSSODPKPISU-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169246647 1092615199 /nfs/dbraw/zinc/61/51/99/1092615199.db2.gz TUMBSSODPKPISU-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169246647 1092615204 /nfs/dbraw/zinc/61/52/04/1092615204.db2.gz TUMBSSODPKPISU-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP Cc1ccc(-c2n[nH]cc2CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276609389 1092628449 /nfs/dbraw/zinc/62/84/49/1092628449.db2.gz CJVUHSZBDXFWSC-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001276609389 1092628455 /nfs/dbraw/zinc/62/84/55/1092628455.db2.gz CJVUHSZBDXFWSC-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001276609389 1092628458 /nfs/dbraw/zinc/62/84/58/1092628458.db2.gz CJVUHSZBDXFWSC-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP COCCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209050357 1092635211 /nfs/dbraw/zinc/63/52/11/1092635211.db2.gz QHLKIESZRLGRTQ-UHFFFAOYSA-N 2 1 308.491 3.073 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2cccnc2[nH]1 ZINC001143221761 1092636827 /nfs/dbraw/zinc/63/68/27/1092636827.db2.gz KLUPFDGUGRWDSR-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2cccnc2[nH]1 ZINC001143221761 1092636837 /nfs/dbraw/zinc/63/68/37/1092636837.db2.gz KLUPFDGUGRWDSR-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2cccnc2[nH]1 ZINC001143221761 1092636845 /nfs/dbraw/zinc/63/68/45/1092636845.db2.gz KLUPFDGUGRWDSR-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143221761 1092636852 /nfs/dbraw/zinc/63/68/52/1092636852.db2.gz KLUPFDGUGRWDSR-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP CCOC(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209071961 1092641430 /nfs/dbraw/zinc/64/14/30/1092641430.db2.gz HCNVONVPYNQBIK-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209071961 1092641435 /nfs/dbraw/zinc/64/14/35/1092641435.db2.gz HCNVONVPYNQBIK-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209071961 1092641443 /nfs/dbraw/zinc/64/14/43/1092641443.db2.gz HCNVONVPYNQBIK-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CCOC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209076513 1092642669 /nfs/dbraw/zinc/64/26/69/1092642669.db2.gz MZPJXPBSXVNJLM-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209076513 1092642676 /nfs/dbraw/zinc/64/26/76/1092642676.db2.gz MZPJXPBSXVNJLM-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209076513 1092642683 /nfs/dbraw/zinc/64/26/83/1092642683.db2.gz MZPJXPBSXVNJLM-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP c1cc(CCC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC001209188281 1092686184 /nfs/dbraw/zinc/68/61/84/1092686184.db2.gz GZKSMMKOSMBMPL-LJQANCHMSA-N 2 1 301.478 3.355 20 0 DGADMP Cc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276624282 1092694880 /nfs/dbraw/zinc/69/48/80/1092694880.db2.gz WBWUKCHYOAOPFF-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001206632498 1092745211 /nfs/dbraw/zinc/74/52/11/1092745211.db2.gz LSSYELVMBZOBPU-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001206632498 1092745218 /nfs/dbraw/zinc/74/52/18/1092745218.db2.gz LSSYELVMBZOBPU-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC001206633102 1092766130 /nfs/dbraw/zinc/76/61/30/1092766130.db2.gz SXHSUZMDGVWESM-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC001206633102 1092766140 /nfs/dbraw/zinc/76/61/40/1092766140.db2.gz SXHSUZMDGVWESM-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC001209450043 1092778708 /nfs/dbraw/zinc/77/87/08/1092778708.db2.gz FJSCJZLNDBZPJJ-RBUKOAKNSA-N 3 1 307.526 3.201 20 0 DGADMP COc1cccc(CCC[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC001209452681 1092780296 /nfs/dbraw/zinc/78/02/96/1092780296.db2.gz RHNVUDCQINUDCI-UHFFFAOYSA-N 2 1 304.478 3.436 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001206640713 1092889243 /nfs/dbraw/zinc/88/92/43/1092889243.db2.gz LOGNBAKFEZDVGA-CQSZACIVSA-N 2 1 303.837 3.449 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc21 ZINC001206640721 1092889647 /nfs/dbraw/zinc/88/96/47/1092889647.db2.gz LVJHVISUGNWGMP-QGZVFWFLSA-N 3 1 313.489 3.249 20 0 DGADMP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641290 1092899139 /nfs/dbraw/zinc/89/91/39/1092899139.db2.gz VXQLNZJAWJQINE-OAHLLOKOSA-N 2 1 317.477 3.232 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001209846899 1092947375 /nfs/dbraw/zinc/94/73/75/1092947375.db2.gz XQFBKSCGDQLZSI-LJQANCHMSA-N 2 1 324.509 3.354 20 0 DGADMP C[NH+]1CCC(n2cc(Nc3ccc4c[nH+]ccc4c3)cn2)CC1 ZINC001210046632 1093026561 /nfs/dbraw/zinc/02/65/61/1093026561.db2.gz KHVXRIAFNFCHNO-UHFFFAOYSA-N 2 1 307.401 3.442 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1N1CCCC1)C2 ZINC001276678166 1093036992 /nfs/dbraw/zinc/03/69/92/1093036992.db2.gz AMRJLOOCHSQWAS-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1N1CCCC1)C2 ZINC001276678166 1093036996 /nfs/dbraw/zinc/03/69/96/1093036996.db2.gz AMRJLOOCHSQWAS-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1N1CCCC1)C2 ZINC001276678166 1093037006 /nfs/dbraw/zinc/03/70/06/1093037006.db2.gz AMRJLOOCHSQWAS-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1N1CCCC1)C2 ZINC001276678166 1093037014 /nfs/dbraw/zinc/03/70/14/1093037014.db2.gz AMRJLOOCHSQWAS-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)cc1Cl ZINC001210267572 1093102991 /nfs/dbraw/zinc/10/29/91/1093102991.db2.gz JSHBVAGPIIHRSD-UHFFFAOYSA-N 2 1 320.799 3.336 20 0 DGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210790150 1093283275 /nfs/dbraw/zinc/28/32/75/1093283275.db2.gz VFRPNZAHUWKHLJ-ZEVQVBBLSA-N 2 1 323.525 3.045 20 0 DGADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276719200 1093940966 /nfs/dbraw/zinc/94/09/66/1093940966.db2.gz MYBKOUTUCUDMLI-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCCOC1)[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276719200 1093940967 /nfs/dbraw/zinc/94/09/67/1093940967.db2.gz MYBKOUTUCUDMLI-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CCCOC1)[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276719200 1093940970 /nfs/dbraw/zinc/94/09/70/1093940970.db2.gz MYBKOUTUCUDMLI-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276719206 1093941010 /nfs/dbraw/zinc/94/10/10/1093941010.db2.gz MYBKOUTUCUDMLI-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCCOC1)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276719206 1093941015 /nfs/dbraw/zinc/94/10/15/1093941015.db2.gz MYBKOUTUCUDMLI-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCCOC1)[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276719206 1093941018 /nfs/dbraw/zinc/94/10/18/1093941018.db2.gz MYBKOUTUCUDMLI-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@H+]1CCC2(CN(CC(c3ccccc3)c3ccccc3)C2)C1 ZINC001276734294 1094113127 /nfs/dbraw/zinc/11/31/27/1094113127.db2.gz VBFLUEOATVKVNK-UHFFFAOYSA-N 2 1 306.453 3.456 20 0 DGADMP CN1CCC2(C[NH+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC001276734294 1094113129 /nfs/dbraw/zinc/11/31/29/1094113129.db2.gz VBFLUEOATVKVNK-UHFFFAOYSA-N 2 1 306.453 3.456 20 0 DGADMP CCOc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001276740988 1094201982 /nfs/dbraw/zinc/20/19/82/1094201982.db2.gz NQNXQRUESXGTIK-SFHVURJKSA-N 2 1 306.425 3.142 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc(C)c1O ZINC001119989937 1094337831 /nfs/dbraw/zinc/33/78/31/1094337831.db2.gz UANDCMLOUZFFTI-OKZBNKHCSA-N 2 1 302.462 3.171 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)C[C@H]2CC1 ZINC001276753250 1094345416 /nfs/dbraw/zinc/34/54/16/1094345416.db2.gz AZDVVJMMWXPGJO-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c[nH]c4cccc(F)c34)C[C@H]2CC1 ZINC001276753250 1094345423 /nfs/dbraw/zinc/34/54/23/1094345423.db2.gz AZDVVJMMWXPGJO-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c[nH]c4cccc(F)c34)C[C@H]2CC1 ZINC001276753250 1094345431 /nfs/dbraw/zinc/34/54/31/1094345431.db2.gz AZDVVJMMWXPGJO-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170799378 1094424933 /nfs/dbraw/zinc/42/49/33/1094424933.db2.gz IHDVZVXZUVRQAH-MRXNPFEDSA-N 2 1 308.853 3.159 20 0 DGADMP CC1([NH2+][C@@H]2CCCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001170801029 1094434715 /nfs/dbraw/zinc/43/47/15/1094434715.db2.gz MOGUGOYSYBQQQU-GOSISDBHSA-N 2 1 302.462 3.200 20 0 DGADMP CCCC[C@@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217701255 1094476146 /nfs/dbraw/zinc/47/61/46/1094476146.db2.gz OSXKMWQMEGOMQT-HZPDHXFCSA-N 2 1 314.433 3.249 20 0 DGADMP CCCC[C@@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217701255 1094476150 /nfs/dbraw/zinc/47/61/50/1094476150.db2.gz OSXKMWQMEGOMQT-HZPDHXFCSA-N 2 1 314.433 3.249 20 0 DGADMP Cc1cc(Cl)ccc1-c1nnc([C@@H]([NH3+])CCCC[NH+](C)C)o1 ZINC001217712549 1094479691 /nfs/dbraw/zinc/47/96/91/1094479691.db2.gz CCWCHBFYZWUSMY-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001217712750 1094480690 /nfs/dbraw/zinc/48/06/90/1094480690.db2.gz FCDXVLUGIYRJLO-JYJNAYRXSA-N 2 1 314.433 3.072 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217721981 1094484046 /nfs/dbraw/zinc/48/40/46/1094484046.db2.gz GFZMAXOEZBQTIV-MELADBBJSA-N 2 1 320.824 3.123 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217721980 1094484718 /nfs/dbraw/zinc/48/47/18/1094484718.db2.gz GFZMAXOEZBQTIV-HZSPNIEDSA-N 2 1 320.824 3.123 20 0 DGADMP Cc1cccc(-c2nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o2)c1 ZINC001217751949 1094488611 /nfs/dbraw/zinc/48/86/11/1094488611.db2.gz QKELQMHCDSQKJH-HNNXBMFYSA-N 2 1 302.422 3.213 20 0 DGADMP Cc1ccccc1Cc1nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o1 ZINC001217752474 1094488863 /nfs/dbraw/zinc/48/88/63/1094488863.db2.gz NRMOHFGQIJEREP-INIZCTEOSA-N 2 1 316.449 3.137 20 0 DGADMP Cc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o2)cc1 ZINC001217751628 1094489110 /nfs/dbraw/zinc/48/91/10/1094489110.db2.gz LJZMEPLKYVEMOY-HNNXBMFYSA-N 2 1 302.422 3.213 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](OCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217766770 1094491464 /nfs/dbraw/zinc/49/14/64/1094491464.db2.gz XSMIQIAVXHMJHA-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@H](OCCC2CC[NH2+]CC2)C1 ZINC001217912090 1094515328 /nfs/dbraw/zinc/51/53/28/1094515328.db2.gz SDIFRDXMOSLHBI-KRWDZBQOSA-N 2 1 322.880 3.321 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217908508 1094516163 /nfs/dbraw/zinc/51/61/63/1094516163.db2.gz GXBLDMLLWXKZNZ-FUHWJXTLSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276765149 1094520423 /nfs/dbraw/zinc/52/04/23/1094520423.db2.gz RVZSOLGAKJNWLI-HKUYNNGSSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276765149 1094520427 /nfs/dbraw/zinc/52/04/27/1094520427.db2.gz RVZSOLGAKJNWLI-HKUYNNGSSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276765149 1094520435 /nfs/dbraw/zinc/52/04/35/1094520435.db2.gz RVZSOLGAKJNWLI-HKUYNNGSSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001217967058 1094533881 /nfs/dbraw/zinc/53/38/81/1094533881.db2.gz MFWZLKAOPDTVMJ-UZLBHIALSA-N 2 1 310.441 3.435 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001135691477 1094637508 /nfs/dbraw/zinc/63/75/08/1094637508.db2.gz VDHBYQMDDQICNC-SJORKVTESA-N 2 1 313.530 3.027 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001336671703 1094692002 /nfs/dbraw/zinc/69/20/02/1094692002.db2.gz CBWJOJZTEYCHBT-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP CC1([NH3+])CC[NH+]([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170857391 1094712622 /nfs/dbraw/zinc/71/26/22/1094712622.db2.gz QEZUCGJNYOMKGZ-HNNXBMFYSA-N 2 1 323.278 3.120 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1C[NH3+] ZINC001218337331 1094725863 /nfs/dbraw/zinc/72/58/63/1094725863.db2.gz XDTPIJKDPYBFSX-VQIMIIECSA-N 2 1 310.441 3.435 20 0 DGADMP CC[C@@]1(c2cccc(O[C@H]3C=CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218335805 1094726031 /nfs/dbraw/zinc/72/60/31/1094726031.db2.gz YAJSBOWGJCNZNA-VQTJNVASSA-N 2 1 314.473 3.357 20 0 DGADMP [NH3+]Cc1ccccc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001218342150 1094727169 /nfs/dbraw/zinc/72/71/69/1094727169.db2.gz SKVIUPXWQIENPU-KXTWHKPSSA-N 2 1 322.452 3.435 20 0 DGADMP CN(CCC[N@@H+](C)Cc1cccc(C(C)(C)C)c1)CC[NH+](C)C ZINC001170861647 1094728616 /nfs/dbraw/zinc/72/86/16/1094728616.db2.gz OCGZYZJOPRXNKH-UHFFFAOYSA-N 2 1 319.537 3.299 20 0 DGADMP [NH3+]Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410526 1094759513 /nfs/dbraw/zinc/75/95/13/1094759513.db2.gz DBSCTXQVLVAOKS-SFHVURJKSA-N 2 1 316.832 3.452 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nccc4c3CCCC4)C[C@@H]2C1 ZINC001336888391 1094773288 /nfs/dbraw/zinc/77/32/88/1094773288.db2.gz JPXFZRLKEMVEHG-FGTMMUONSA-N 2 1 313.489 3.123 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nccc4c3CCCC4)C[C@H]2C1 ZINC001336888394 1094773470 /nfs/dbraw/zinc/77/34/70/1094773470.db2.gz JPXFZRLKEMVEHG-RCCFBDPRSA-N 2 1 313.489 3.123 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000309748432 1094782732 /nfs/dbraw/zinc/78/27/32/1094782732.db2.gz YNXPFFZQYDGURJ-HKUYMTLNSA-N 2 1 314.473 3.054 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001170877767 1094791917 /nfs/dbraw/zinc/79/19/17/1094791917.db2.gz GTACJUUPMGLFFU-JKSUJKDBSA-N 2 1 322.497 3.070 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccccc2[nH]1 ZINC001336977225 1094799538 /nfs/dbraw/zinc/79/95/38/1094799538.db2.gz HGCDRXUZBROBQF-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccccc2[nH]1 ZINC001336977225 1094799548 /nfs/dbraw/zinc/79/95/48/1094799548.db2.gz HGCDRXUZBROBQF-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309920431 1094839912 /nfs/dbraw/zinc/83/99/12/1094839912.db2.gz VSGPTYZDSDLDRI-LJQANCHMSA-N 2 1 309.457 3.392 20 0 DGADMP c1[nH]c2ncccc2c1C[N@@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276805551 1094984332 /nfs/dbraw/zinc/98/43/32/1094984332.db2.gz XRFWWVCPROHBFV-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]c2ncccc2c1C[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276805551 1094984342 /nfs/dbraw/zinc/98/43/42/1094984342.db2.gz XRFWWVCPROHBFV-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246167100 1095070610 /nfs/dbraw/zinc/07/06/10/1095070610.db2.gz CPTFYCMGWIKZDL-OCCSQVGLSA-N 2 1 311.267 3.112 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000699541000 1095080718 /nfs/dbraw/zinc/08/07/18/1095080718.db2.gz IKRQIFJRPCLUCT-NQYYFHDYSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000699541000 1095080726 /nfs/dbraw/zinc/08/07/26/1095080726.db2.gz IKRQIFJRPCLUCT-NQYYFHDYSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H](C[NH3+])[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246204248 1095097984 /nfs/dbraw/zinc/09/79/84/1095097984.db2.gz YYCUVGICHXKTLI-ZOODHJKOSA-N 2 1 311.267 3.412 20 0 DGADMP [NH3+]CC1([NH2+][C@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001246290549 1095169142 /nfs/dbraw/zinc/16/91/42/1095169142.db2.gz XZAPGBMLUJZVJW-HNNXBMFYSA-N 2 1 323.278 3.168 20 0 DGADMP c1csc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CCCC2)c1 ZINC000316782979 1095190854 /nfs/dbraw/zinc/19/08/54/1095190854.db2.gz VZBOFEMURMQVLB-SOLBZPMBSA-N 2 1 320.502 3.432 20 0 DGADMP c1csc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CCCC2)c1 ZINC000316782979 1095190864 /nfs/dbraw/zinc/19/08/64/1095190864.db2.gz VZBOFEMURMQVLB-SOLBZPMBSA-N 2 1 320.502 3.432 20 0 DGADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246464677 1095304920 /nfs/dbraw/zinc/30/49/20/1095304920.db2.gz SLFNNNPDBSPAPA-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP COc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001143369576 1095317923 /nfs/dbraw/zinc/31/79/23/1095317923.db2.gz SWDVVAIKLFHDQM-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP COc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001143369576 1095317935 /nfs/dbraw/zinc/31/79/35/1095317935.db2.gz SWDVVAIKLFHDQM-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CC/C=C/CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805799 1095396164 /nfs/dbraw/zinc/39/61/64/1095396164.db2.gz GUVFSHLPDOKYFP-VOTSOKGWSA-N 2 1 323.525 3.093 20 0 DGADMP COc1ccc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001143896175 1095433231 /nfs/dbraw/zinc/43/32/31/1095433231.db2.gz VLFFUVBZQYCDCE-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP COc1ccc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001143896175 1095433239 /nfs/dbraw/zinc/43/32/39/1095433239.db2.gz VLFFUVBZQYCDCE-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CCOc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001143937668 1095442384 /nfs/dbraw/zinc/44/23/84/1095442384.db2.gz VRELUUWQJHPKKN-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CCOc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001143937668 1095442393 /nfs/dbraw/zinc/44/23/93/1095442393.db2.gz VRELUUWQJHPKKN-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP Brc1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141486 1095453598 /nfs/dbraw/zinc/45/35/98/1095453598.db2.gz NGFKZKYVBRWLIS-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222142219 1095453784 /nfs/dbraw/zinc/45/37/84/1095453784.db2.gz XWACRRTXEIEJHQ-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154937 1095463144 /nfs/dbraw/zinc/46/31/44/1095463144.db2.gz UHWUOVDZPIQUDC-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154937 1095463149 /nfs/dbraw/zinc/46/31/49/1095463149.db2.gz UHWUOVDZPIQUDC-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c1)NCC2 ZINC001222172791 1095478436 /nfs/dbraw/zinc/47/84/36/1095478436.db2.gz OBGXJTNTFLBFIC-FQEVSTJZSA-N 2 1 313.489 3.400 20 0 DGADMP CC(C)c1cc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001222186442 1095482109 /nfs/dbraw/zinc/48/21/09/1095482109.db2.gz IBKMJAJHFCPSTF-UHFFFAOYSA-N 2 1 322.880 3.418 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001222186442 1095482114 /nfs/dbraw/zinc/48/21/14/1095482114.db2.gz IBKMJAJHFCPSTF-UHFFFAOYSA-N 2 1 322.880 3.418 20 0 DGADMP Fc1cc(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Cl)cc1Cl ZINC001222202620 1095491871 /nfs/dbraw/zinc/49/18/71/1095491871.db2.gz ALCXIILAKDUPRK-UHFFFAOYSA-N 2 1 303.208 3.318 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222216105 1095496384 /nfs/dbraw/zinc/49/63/84/1095496384.db2.gz WCDIOVXOFGOPTF-IAGOWNOFSA-N 2 1 324.509 3.210 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001222237624 1095505228 /nfs/dbraw/zinc/50/52/28/1095505228.db2.gz OOJKAMHNLGTGBZ-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001222237624 1095505236 /nfs/dbraw/zinc/50/52/36/1095505236.db2.gz OOJKAMHNLGTGBZ-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC001116293580 1095507137 /nfs/dbraw/zinc/50/71/37/1095507137.db2.gz SZOWRBJMFXVFRR-HUUCEWRRSA-N 2 1 307.457 3.274 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC001116293580 1095507146 /nfs/dbraw/zinc/50/71/46/1095507146.db2.gz SZOWRBJMFXVFRR-HUUCEWRRSA-N 2 1 307.457 3.274 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222242832 1095507810 /nfs/dbraw/zinc/50/78/10/1095507810.db2.gz GVWYVBPATBCSQB-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222242832 1095507820 /nfs/dbraw/zinc/50/78/20/1095507820.db2.gz GVWYVBPATBCSQB-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC001116292874 1095508282 /nfs/dbraw/zinc/50/82/82/1095508282.db2.gz GHZWCWYRJREWBT-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222252373 1095512483 /nfs/dbraw/zinc/51/24/83/1095512483.db2.gz CPYXHTOGRYTHNW-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222252373 1095512487 /nfs/dbraw/zinc/51/24/87/1095512487.db2.gz CPYXHTOGRYTHNW-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259130 1095515298 /nfs/dbraw/zinc/51/52/98/1095515298.db2.gz KXUAYOGPIIANTL-HKUYNNGSSA-N 2 1 310.526 3.419 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1C ZINC001222265580 1095517997 /nfs/dbraw/zinc/51/79/97/1095517997.db2.gz WROYUKPAWLNAPT-IBGZPJMESA-N 2 1 302.462 3.278 20 0 DGADMP COc1ccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001222265050 1095520013 /nfs/dbraw/zinc/52/00/13/1095520013.db2.gz MQUGZCMJOWKQCJ-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222265810 1095521214 /nfs/dbraw/zinc/52/12/14/1095521214.db2.gz ZNFYNZUPLUEAKH-HXUWFJFHSA-N 2 1 313.489 3.252 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c21 ZINC001222272614 1095522940 /nfs/dbraw/zinc/52/29/40/1095522940.db2.gz XDCNDKDEUHGSQD-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP CCc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc(CC)c1O ZINC001222271505 1095524180 /nfs/dbraw/zinc/52/41/80/1095524180.db2.gz GZRXNLGYQHXEFO-HXUWFJFHSA-N 2 1 316.489 3.483 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc(CC)c1O ZINC001222271505 1095524191 /nfs/dbraw/zinc/52/41/91/1095524191.db2.gz GZRXNLGYQHXEFO-HXUWFJFHSA-N 2 1 316.489 3.483 20 0 DGADMP CCc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc(CC)c1O ZINC001144151369 1095538846 /nfs/dbraw/zinc/53/88/46/1095538846.db2.gz UHHUWWPAEAILSD-UHFFFAOYSA-N 2 1 316.489 3.435 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307749 1095541335 /nfs/dbraw/zinc/54/13/35/1095541335.db2.gz BBXQBTGDYLFCCE-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP Clc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc2c1OCO2 ZINC001222316415 1095545308 /nfs/dbraw/zinc/54/53/08/1095545308.db2.gz WAXNBWIMXHJYMS-KRWDZBQOSA-N 2 1 322.836 3.177 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc2c1OCO2 ZINC001222316415 1095545323 /nfs/dbraw/zinc/54/53/23/1095545323.db2.gz WAXNBWIMXHJYMS-KRWDZBQOSA-N 2 1 322.836 3.177 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1C ZINC001222315653 1095546557 /nfs/dbraw/zinc/54/65/57/1095546557.db2.gz PCYAEBHIXIUIAW-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP CCc1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001222408125 1095599588 /nfs/dbraw/zinc/59/95/88/1095599588.db2.gz ZTCLEVJUMZBWOE-UHFFFAOYSA-N 2 1 322.880 3.104 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001222422070 1095606193 /nfs/dbraw/zinc/60/61/93/1095606193.db2.gz RHMXVQFZWRETOW-FQEVSTJZSA-N 2 1 313.489 3.121 20 0 DGADMP C[NH+]1CCC(O[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001222504328 1095643759 /nfs/dbraw/zinc/64/37/59/1095643759.db2.gz QSVCXIFYSDWIRX-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144418766 1095651064 /nfs/dbraw/zinc/65/10/64/1095651064.db2.gz PSADHMKYCQZTJO-UHFFFAOYSA-N 2 1 308.857 3.380 20 0 DGADMP Fc1cccc(CCC[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222596624 1095682075 /nfs/dbraw/zinc/68/20/75/1095682075.db2.gz ZEAJCILOLGGXAW-HXUWFJFHSA-N 2 1 324.443 3.447 20 0 DGADMP C[N@@H+](Cc1cscn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001137596887 1095684077 /nfs/dbraw/zinc/68/40/77/1095684077.db2.gz FUMUUVNAUCUWOC-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP C[N@H+](Cc1cscn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001137596887 1095684081 /nfs/dbraw/zinc/68/40/81/1095684081.db2.gz FUMUUVNAUCUWOC-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1F ZINC001222602442 1095688240 /nfs/dbraw/zinc/68/82/40/1095688240.db2.gz QCWZGKQFIFSQKW-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1F ZINC001222602442 1095688245 /nfs/dbraw/zinc/68/82/45/1095688245.db2.gz QCWZGKQFIFSQKW-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP CCc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608758 1095689653 /nfs/dbraw/zinc/68/96/53/1095689653.db2.gz DMNNKFVURGNPSV-HXUWFJFHSA-N 2 1 306.453 3.438 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001116880588 1095689737 /nfs/dbraw/zinc/68/97/37/1095689737.db2.gz LZXXTKJAMSBEDY-ROUUACIJSA-N 2 1 302.462 3.017 20 0 DGADMP CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)s1 ZINC001222609187 1095692420 /nfs/dbraw/zinc/69/24/20/1095692420.db2.gz LUCWQFITAPIZGZ-SFHVURJKSA-N 2 1 312.482 3.500 20 0 DGADMP COc1ccc(C)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222614923 1095695312 /nfs/dbraw/zinc/69/53/12/1095695312.db2.gz KZOLTLVCPQQXDS-FQEVSTJZSA-N 2 1 322.452 3.193 20 0 DGADMP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623438 1095698065 /nfs/dbraw/zinc/69/80/65/1095698065.db2.gz JBBIZVUUSBERPY-BETUJISGSA-N 2 1 313.272 3.467 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC001222629973 1095699829 /nfs/dbraw/zinc/69/98/29/1095699829.db2.gz UDPFDWKYMODMDM-GASCZTMLSA-N 2 1 306.425 3.044 20 0 DGADMP Nc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860767 1095849616 /nfs/dbraw/zinc/84/96/16/1095849616.db2.gz KDHRDGMYAWIRIZ-HXUWFJFHSA-N 2 1 324.472 3.085 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860767 1095849645 /nfs/dbraw/zinc/84/96/45/1095849645.db2.gz KDHRDGMYAWIRIZ-HXUWFJFHSA-N 2 1 324.472 3.085 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860767 1095849664 /nfs/dbraw/zinc/84/96/64/1095849664.db2.gz KDHRDGMYAWIRIZ-HXUWFJFHSA-N 2 1 324.472 3.085 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860767 1095849686 /nfs/dbraw/zinc/84/96/86/1095849686.db2.gz KDHRDGMYAWIRIZ-HXUWFJFHSA-N 2 1 324.472 3.085 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(N)c1)Cc1ccccc12 ZINC001276861428 1095858481 /nfs/dbraw/zinc/85/84/81/1095858481.db2.gz PMROMLYNEOREIE-UHFFFAOYSA-N 2 1 321.468 3.248 20 0 DGADMP C[N@H+]1CCCC2(CCN(Cc3[nH]nc4cc(F)ccc43)CC2)C1 ZINC001276864693 1095872348 /nfs/dbraw/zinc/87/23/48/1095872348.db2.gz GKYYQKZZMHNMBQ-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)ccc1C(F)(F)F)CC2 ZINC001138093765 1095873870 /nfs/dbraw/zinc/87/38/70/1095873870.db2.gz JKRAYOIJDXYOMU-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001276871205 1095902133 /nfs/dbraw/zinc/90/21/33/1095902133.db2.gz ZUBMSQFGDFSEMF-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001276871205 1095902137 /nfs/dbraw/zinc/90/21/37/1095902137.db2.gz ZUBMSQFGDFSEMF-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001276871205 1095902143 /nfs/dbraw/zinc/90/21/43/1095902143.db2.gz ZUBMSQFGDFSEMF-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP CCOc1ncc(Cl)cc1C[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001276872937 1095905190 /nfs/dbraw/zinc/90/51/90/1095905190.db2.gz NILLOZQXXBEKFX-SJORKVTESA-N 2 1 323.868 3.288 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(-c3cnccn3)cc1)CC2 ZINC001276872750 1095905497 /nfs/dbraw/zinc/90/54/97/1095905497.db2.gz XONOWKVTKKMQON-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001118181044 1095951358 /nfs/dbraw/zinc/95/13/58/1095951358.db2.gz RJOCTCSYYOSFGF-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC001340517721 1095967963 /nfs/dbraw/zinc/96/79/63/1095967963.db2.gz VRRHTSNMMNSKBD-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC001340517721 1095967967 /nfs/dbraw/zinc/96/79/67/1095967967.db2.gz VRRHTSNMMNSKBD-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1Cl ZINC001340981424 1096085537 /nfs/dbraw/zinc/08/55/37/1096085537.db2.gz UAQVRCFFTHAMGA-AWEZNQCLSA-N 2 1 311.857 3.104 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc3c(c2)CCC3)[C@@H]2CCC[C@H]21 ZINC001340981913 1096085608 /nfs/dbraw/zinc/08/56/08/1096085608.db2.gz SHYDTXPEDAIIQQ-SLFFLAALSA-N 2 1 314.473 3.017 20 0 DGADMP Cn1cc(-c2ccc(CNC[C@H]3CC[N@@H+]3C3CCCC3)cc2)cn1 ZINC001118859959 1096094414 /nfs/dbraw/zinc/09/44/14/1096094414.db2.gz HDEIOUQCAMLXMV-HXUWFJFHSA-N 2 1 324.472 3.194 20 0 DGADMP Cn1cc(-c2ccc(CNC[C@H]3CC[N@H+]3C3CCCC3)cc2)cn1 ZINC001118859959 1096094426 /nfs/dbraw/zinc/09/44/26/1096094426.db2.gz HDEIOUQCAMLXMV-HXUWFJFHSA-N 2 1 324.472 3.194 20 0 DGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147358557 1096208747 /nfs/dbraw/zinc/20/87/47/1096208747.db2.gz GTWLKXBPCAPZBN-DVBCCOPCSA-N 2 1 323.525 3.093 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001224931722 1096316909 /nfs/dbraw/zinc/31/69/09/1096316909.db2.gz IUYUQJBAGAHEHK-VAMGGRTRSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001224960437 1096323470 /nfs/dbraw/zinc/32/34/70/1096323470.db2.gz CEGYWZDPBOXCOI-QGZVFWFLSA-N 2 1 304.434 3.462 20 0 DGADMP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224960437 1096323476 /nfs/dbraw/zinc/32/34/76/1096323476.db2.gz CEGYWZDPBOXCOI-QGZVFWFLSA-N 2 1 304.434 3.462 20 0 DGADMP C[NH+](C)CCCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224990564 1096330222 /nfs/dbraw/zinc/33/02/22/1096330222.db2.gz BAWSJGUPBYNGRQ-KRWDZBQOSA-N 2 1 310.869 3.273 20 0 DGADMP C[NH+](C)CCCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001225000234 1096333015 /nfs/dbraw/zinc/33/30/15/1096333015.db2.gz FSZJZMAMTOZTDQ-VAMGGRTRSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1cc(N2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)cc[nH+]1 ZINC001277064668 1096506224 /nfs/dbraw/zinc/50/62/24/1096506224.db2.gz MWHBXGJESRINGD-UHFFFAOYSA-N 2 1 313.367 3.245 20 0 DGADMP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439490 1096804471 /nfs/dbraw/zinc/80/44/71/1096804471.db2.gz AERLUCLTRRRRHO-KRWDZBQOSA-N 2 1 302.437 3.242 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439490 1096804476 /nfs/dbraw/zinc/80/44/76/1096804476.db2.gz AERLUCLTRRRRHO-KRWDZBQOSA-N 2 1 302.437 3.242 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171486749 1096896588 /nfs/dbraw/zinc/89/65/88/1096896588.db2.gz GEGSKIMIMMLVJU-MRXNPFEDSA-N 2 1 308.416 3.096 20 0 DGADMP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001227217839 1096898344 /nfs/dbraw/zinc/89/83/44/1096898344.db2.gz PNWIJPXLHMMGSF-IAGOWNOFSA-N 2 1 323.525 3.065 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171494661 1096900000 /nfs/dbraw/zinc/90/00/00/1096900000.db2.gz ARAXNADZUQXWIJ-HNNXBMFYSA-N 2 1 317.383 3.358 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171506185 1096913497 /nfs/dbraw/zinc/91/34/97/1096913497.db2.gz SXPDGAQCODCXST-YIYPIFLZSA-N 2 1 324.390 3.176 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513704 1096915377 /nfs/dbraw/zinc/91/53/77/1096915377.db2.gz XOLVWIANWIFCTM-QWHCGFSZSA-N 2 1 312.379 3.035 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171511761 1096915433 /nfs/dbraw/zinc/91/54/33/1096915433.db2.gz IRNZFTKORNNLRK-CYBMUJFWSA-N 2 1 324.390 3.178 20 0 DGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586832 1096919613 /nfs/dbraw/zinc/91/96/13/1096919613.db2.gz UHOCVOGZVGGPHV-JKSUJKDBSA-N 2 1 313.530 3.027 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cnn3ccccc23)CC1(C)C ZINC001171629927 1096930454 /nfs/dbraw/zinc/93/04/54/1096930454.db2.gz ZUSYQYZKJMIZLE-UHFFFAOYSA-N 2 1 300.450 3.075 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)c2ccc(F)cc2)CC1(C)C ZINC001171613315 1096934387 /nfs/dbraw/zinc/93/43/87/1096934387.db2.gz ITHSXWWKJUPNMT-MRXNPFEDSA-N 2 1 308.441 3.100 20 0 DGADMP COC(=O)c1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171619044 1096935680 /nfs/dbraw/zinc/93/56/80/1096935680.db2.gz FRSFPIWJPDBTNT-UHFFFAOYSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620757 1096936216 /nfs/dbraw/zinc/93/62/16/1096936216.db2.gz FGQGPBGTWWWVTN-MRXNPFEDSA-N 2 1 309.542 3.492 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620757 1096936221 /nfs/dbraw/zinc/93/62/21/1096936221.db2.gz FGQGPBGTWWWVTN-MRXNPFEDSA-N 3 1 309.542 3.492 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620757 1096936223 /nfs/dbraw/zinc/93/62/23/1096936223.db2.gz FGQGPBGTWWWVTN-MRXNPFEDSA-N 3 1 309.542 3.492 20 0 DGADMP C[NH2+]Cc1ccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001171758638 1096962560 /nfs/dbraw/zinc/96/25/60/1096962560.db2.gz ZMMAVIKMFNZHLJ-UZLBHIALSA-N 2 1 309.457 3.481 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171963996 1097005930 /nfs/dbraw/zinc/00/59/30/1097005930.db2.gz JOPRGCWZVXBYSP-SFHVURJKSA-N 2 1 316.489 3.324 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171963979 1097006534 /nfs/dbraw/zinc/00/65/34/1097006534.db2.gz JKYAIFVOZQFRBZ-IPMKNSEASA-N 2 1 316.489 3.180 20 0 DGADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962045 1097006672 /nfs/dbraw/zinc/00/66/72/1097006672.db2.gz BCZUZGUTDZMVPP-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962045 1097006677 /nfs/dbraw/zinc/00/66/77/1097006677.db2.gz BCZUZGUTDZMVPP-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962045 1097006683 /nfs/dbraw/zinc/00/66/83/1097006683.db2.gz BCZUZGUTDZMVPP-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962045 1097006686 /nfs/dbraw/zinc/00/66/86/1097006686.db2.gz BCZUZGUTDZMVPP-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962045 1097006692 /nfs/dbraw/zinc/00/66/92/1097006692.db2.gz BCZUZGUTDZMVPP-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171964129 1097007170 /nfs/dbraw/zinc/00/71/70/1097007170.db2.gz KOMIFPLFSUTHHJ-ROUUACIJSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171968658 1097007541 /nfs/dbraw/zinc/00/75/41/1097007541.db2.gz QPWWYZGFRRCZDJ-ZWKOTPCHSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988810 1097015915 /nfs/dbraw/zinc/01/59/15/1097015915.db2.gz VXRQELIRIRVESM-UYAOXDASSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171988810 1097015919 /nfs/dbraw/zinc/01/59/19/1097015919.db2.gz VXRQELIRIRVESM-UYAOXDASSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988810 1097015926 /nfs/dbraw/zinc/01/59/26/1097015926.db2.gz VXRQELIRIRVESM-UYAOXDASSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988810 1097015929 /nfs/dbraw/zinc/01/59/29/1097015929.db2.gz VXRQELIRIRVESM-UYAOXDASSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H](n2ccc(CC[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC001171972837 1097021533 /nfs/dbraw/zinc/02/15/33/1097021533.db2.gz SWFHQJMHKBMGTQ-SFHVURJKSA-N 2 1 312.461 3.000 20 0 DGADMP C[C@@H]1COCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976093 1097024018 /nfs/dbraw/zinc/02/40/18/1097024018.db2.gz IAFMAYJVZKGWMK-HKUYNNGSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1COCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976093 1097024021 /nfs/dbraw/zinc/02/40/21/1097024021.db2.gz IAFMAYJVZKGWMK-HKUYNNGSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1COCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976093 1097024028 /nfs/dbraw/zinc/02/40/28/1097024028.db2.gz IAFMAYJVZKGWMK-HKUYNNGSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1COCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976093 1097024034 /nfs/dbraw/zinc/02/40/34/1097024034.db2.gz IAFMAYJVZKGWMK-HKUYNNGSSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978538 1097025204 /nfs/dbraw/zinc/02/52/04/1097025204.db2.gz ZEECMDPJLFDWAT-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978538 1097025209 /nfs/dbraw/zinc/02/52/09/1097025209.db2.gz ZEECMDPJLFDWAT-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978538 1097025215 /nfs/dbraw/zinc/02/52/15/1097025215.db2.gz ZEECMDPJLFDWAT-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@H+]([C@@H]1CCOC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987940 1097029927 /nfs/dbraw/zinc/02/99/27/1097029927.db2.gz MIIHIPCSGLVBIX-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+]([C@@H]1CCOC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987940 1097029932 /nfs/dbraw/zinc/02/99/32/1097029932.db2.gz MIIHIPCSGLVBIX-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987940 1097029938 /nfs/dbraw/zinc/02/99/38/1097029938.db2.gz MIIHIPCSGLVBIX-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987940 1097029944 /nfs/dbraw/zinc/02/99/44/1097029944.db2.gz MIIHIPCSGLVBIX-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074211 1097038799 /nfs/dbraw/zinc/03/87/99/1097038799.db2.gz GHWYQSNITJHSFS-MDMHHNQBSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074211 1097038805 /nfs/dbraw/zinc/03/88/05/1097038805.db2.gz GHWYQSNITJHSFS-MDMHHNQBSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074211 1097038807 /nfs/dbraw/zinc/03/88/07/1097038807.db2.gz GHWYQSNITJHSFS-MDMHHNQBSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@@H]4C[C@H]2CO4)C3)cc1 ZINC001172074211 1097038814 /nfs/dbraw/zinc/03/88/14/1097038814.db2.gz GHWYQSNITJHSFS-MDMHHNQBSA-N 2 1 312.457 3.045 20 0 DGADMP COC[C@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172087250 1097040143 /nfs/dbraw/zinc/04/01/43/1097040143.db2.gz LEJNRYBUJFZVKW-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172087250 1097040161 /nfs/dbraw/zinc/04/01/61/1097040161.db2.gz LEJNRYBUJFZVKW-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172087250 1097040164 /nfs/dbraw/zinc/04/01/64/1097040164.db2.gz LEJNRYBUJFZVKW-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+](C)CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100588 1097042200 /nfs/dbraw/zinc/04/22/00/1097042200.db2.gz FNIQHECATXOHDV-YSTOQKLRSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062440 1097042368 /nfs/dbraw/zinc/04/23/68/1097042368.db2.gz OALVKSUFVPGTBT-RSPOEFSDSA-N 2 1 315.505 3.112 20 0 DGADMP O=C1CC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065492 1097044563 /nfs/dbraw/zinc/04/45/63/1097044563.db2.gz NHHMFFAFOQEGEG-REPLKXPHSA-N 2 1 312.457 3.141 20 0 DGADMP O=C1CC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065492 1097044566 /nfs/dbraw/zinc/04/45/66/1097044566.db2.gz NHHMFFAFOQEGEG-REPLKXPHSA-N 2 1 312.457 3.141 20 0 DGADMP COCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069598 1097045406 /nfs/dbraw/zinc/04/54/06/1097045406.db2.gz VLVCHUZGYSZJED-LDLYASANSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069351 1097046070 /nfs/dbraw/zinc/04/60/70/1097046070.db2.gz TXGFFISGCXYMSS-YRPNKDGESA-N 2 1 316.489 3.179 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127105 1097047289 /nfs/dbraw/zinc/04/72/89/1097047289.db2.gz GWPSVDOCZXLZDR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127105 1097047296 /nfs/dbraw/zinc/04/72/96/1097047296.db2.gz GWPSVDOCZXLZDR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127105 1097047302 /nfs/dbraw/zinc/04/73/02/1097047302.db2.gz GWPSVDOCZXLZDR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127105 1097047308 /nfs/dbraw/zinc/04/73/08/1097047308.db2.gz GWPSVDOCZXLZDR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127105 1097047314 /nfs/dbraw/zinc/04/73/14/1097047314.db2.gz GWPSVDOCZXLZDR-WCXIOVBPSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001172130042 1097049415 /nfs/dbraw/zinc/04/94/15/1097049415.db2.gz NEZVSJDTEUIYFA-FVQHAEBGSA-N 2 1 306.494 3.425 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001172130042 1097049418 /nfs/dbraw/zinc/04/94/18/1097049418.db2.gz NEZVSJDTEUIYFA-FVQHAEBGSA-N 2 1 306.494 3.425 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172103409 1097052712 /nfs/dbraw/zinc/05/27/12/1097052712.db2.gz UJFCKKZEXYSORC-LLLHUVSDSA-N 2 1 318.461 3.370 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172103409 1097052714 /nfs/dbraw/zinc/05/27/14/1097052714.db2.gz UJFCKKZEXYSORC-LLLHUVSDSA-N 2 1 318.461 3.370 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cc(O)ccc31)C2 ZINC001172108783 1097053873 /nfs/dbraw/zinc/05/38/73/1097053873.db2.gz ZFXPTCUXVTYVIB-ZSHCYNCHSA-N 2 1 313.445 3.036 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001172108705 1097054335 /nfs/dbraw/zinc/05/43/35/1097054335.db2.gz YKMOVCOHUCRPFG-PYOGLGTISA-N 2 1 306.400 3.426 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001172108705 1097054342 /nfs/dbraw/zinc/05/43/42/1097054342.db2.gz YKMOVCOHUCRPFG-PYOGLGTISA-N 2 1 306.400 3.426 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172108849 1097055499 /nfs/dbraw/zinc/05/54/99/1097055499.db2.gz GWGORAJUXBICLX-OKYOBFRVSA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172108849 1097055504 /nfs/dbraw/zinc/05/55/04/1097055504.db2.gz GWGORAJUXBICLX-OKYOBFRVSA-N 2 1 314.473 3.157 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccn3)CCC1)C2 ZINC001172109585 1097055897 /nfs/dbraw/zinc/05/58/97/1097055897.db2.gz FLSALAGMPAXIFD-LDLYASANSA-N 2 1 313.489 3.399 20 0 DGADMP CC(C)CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172111310 1097057458 /nfs/dbraw/zinc/05/74/58/1097057458.db2.gz PWAWGUQDWXTGSZ-BCDXTJNWSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1F)C1CC1)C2 ZINC001172110063 1097057927 /nfs/dbraw/zinc/05/79/27/1097057927.db2.gz JJKPVSITXMOQCY-MPTYRVRUSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1F)C1CC1)C2 ZINC001172110063 1097057931 /nfs/dbraw/zinc/05/79/31/1097057931.db2.gz JJKPVSITXMOQCY-MPTYRVRUSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cn1)C2 ZINC001172111254 1097057972 /nfs/dbraw/zinc/05/79/72/1097057972.db2.gz OYWWTEVVAIEHBM-MUJYYYPQSA-N 2 1 305.441 3.103 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1cc3ccccc3o1)C2 ZINC001172112004 1097058472 /nfs/dbraw/zinc/05/84/72/1097058472.db2.gz YZQQBTQNXFBESD-WCXIOVBPSA-N 2 1 314.429 3.071 20 0 DGADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112547 1097058812 /nfs/dbraw/zinc/05/88/12/1097058812.db2.gz XJFQFCFZADTVAD-BJWYYQGGSA-N 2 1 301.478 3.273 20 0 DGADMP COC(=O)CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001172112621 1097059025 /nfs/dbraw/zinc/05/90/25/1097059025.db2.gz YJYBPDLJDXLGBB-OSYLJGHBSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172113437 1097059560 /nfs/dbraw/zinc/05/95/60/1097059560.db2.gz CYUHGYMFNNAIQA-RUGDWHBFSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172113437 1097059566 /nfs/dbraw/zinc/05/95/66/1097059566.db2.gz CYUHGYMFNNAIQA-RUGDWHBFSA-N 2 1 316.445 3.139 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(C(N)=[NH2+])c1ccc(Cl)cc1)C2 ZINC001172112696 1097059669 /nfs/dbraw/zinc/05/96/69/1097059669.db2.gz ZMFZBWQPWCMZHO-FICVDOATSA-N 2 1 306.841 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ncccn3)cc1)C2 ZINC001172112654 1097059940 /nfs/dbraw/zinc/05/99/40/1097059940.db2.gz YMIAUJNWEZBHSB-REPLKXPHSA-N 2 1 322.456 3.249 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1cc3ccccc3o1)C2 ZINC001172112003 1097060165 /nfs/dbraw/zinc/06/01/65/1097060165.db2.gz YZQQBTQNXFBESD-NXOAAHMSSA-N 2 1 314.429 3.071 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114636 1097061339 /nfs/dbraw/zinc/06/13/39/1097061339.db2.gz RPGWWUXZRUIEOQ-FXUDXRNXSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114636 1097061344 /nfs/dbraw/zinc/06/13/44/1097061344.db2.gz RPGWWUXZRUIEOQ-FXUDXRNXSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114636 1097061350 /nfs/dbraw/zinc/06/13/50/1097061350.db2.gz RPGWWUXZRUIEOQ-FXUDXRNXSA-N 2 1 324.465 3.028 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206157348 1097061996 /nfs/dbraw/zinc/06/19/96/1097061996.db2.gz YCMAYELUAMDWRL-CABCVRRESA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206157348 1097062001 /nfs/dbraw/zinc/06/20/01/1097062001.db2.gz YCMAYELUAMDWRL-CABCVRRESA-N 2 1 318.358 3.399 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc3ccccc3n1)C2 ZINC001172119261 1097063777 /nfs/dbraw/zinc/06/37/77/1097063777.db2.gz XHZHSPVPFWVPPQ-REPLKXPHSA-N 2 1 309.457 3.382 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3cc(F)ccc31)C2 ZINC001172118251 1097064051 /nfs/dbraw/zinc/06/40/51/1097064051.db2.gz PZPCHJKUTWCHRL-IVSAIRAKSA-N 2 1 304.409 3.254 20 0 DGADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Cl)c1O ZINC001172117529 1097064833 /nfs/dbraw/zinc/06/48/33/1097064833.db2.gz MCQGZOOFYSROMZ-ZSOGYDGISA-N 2 1 324.852 3.159 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124347 1097065564 /nfs/dbraw/zinc/06/55/64/1097065564.db2.gz KTKCLEYUNLDZKL-MANSERQUSA-N 2 1 300.446 3.075 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172122764 1097066988 /nfs/dbraw/zinc/06/69/88/1097066988.db2.gz UKQIMEIKWSHHOJ-REPLKXPHSA-N 2 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172122764 1097066995 /nfs/dbraw/zinc/06/69/95/1097066995.db2.gz UKQIMEIKWSHHOJ-REPLKXPHSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172122764 1097067002 /nfs/dbraw/zinc/06/70/02/1097067002.db2.gz UKQIMEIKWSHHOJ-REPLKXPHSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122764 1097067008 /nfs/dbraw/zinc/06/70/08/1097067008.db2.gz UKQIMEIKWSHHOJ-REPLKXPHSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122764 1097067015 /nfs/dbraw/zinc/06/70/15/1097067015.db2.gz UKQIMEIKWSHHOJ-REPLKXPHSA-N 3 1 307.526 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172219868 1097079277 /nfs/dbraw/zinc/07/92/77/1097079277.db2.gz QAJLGZXZKMKRPS-RNINOARNSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172219868 1097079283 /nfs/dbraw/zinc/07/92/83/1097079283.db2.gz QAJLGZXZKMKRPS-RNINOARNSA-N 2 1 314.473 3.339 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172229080 1097081831 /nfs/dbraw/zinc/08/18/31/1097081831.db2.gz KLLCRADUIDEAOJ-IHWFROFDSA-N 2 1 314.473 3.293 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2cccc(OC)c2)CC1 ZINC001172250620 1097092334 /nfs/dbraw/zinc/09/23/34/1097092334.db2.gz SXZNFZWKIPQKPO-UHFFFAOYSA-N 2 1 320.477 3.021 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001172253603 1097092507 /nfs/dbraw/zinc/09/25/07/1097092507.db2.gz WKSHVQWYIHGMCS-UHFFFAOYSA-N 2 1 314.473 3.277 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001172253603 1097092514 /nfs/dbraw/zinc/09/25/14/1097092514.db2.gz WKSHVQWYIHGMCS-UHFFFAOYSA-N 2 1 314.473 3.277 20 0 DGADMP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172433127 1097139825 /nfs/dbraw/zinc/13/98/25/1097139825.db2.gz GMXACRZDPLAFJL-HKUYNNGSSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172389267 1097141920 /nfs/dbraw/zinc/14/19/20/1097141920.db2.gz MKVAMYRFBIDLQG-LJQANCHMSA-N 2 1 304.478 3.433 20 0 DGADMP CCCCCC[C@@H](CCCC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001172516595 1097176236 /nfs/dbraw/zinc/17/62/36/1097176236.db2.gz KBNVWNZQHKHTHS-HZPDHXFCSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172575156 1097184644 /nfs/dbraw/zinc/18/46/44/1097184644.db2.gz HRPJVTFDROXXMH-VXGBXAGGSA-N 2 1 316.823 3.481 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172604947 1097192541 /nfs/dbraw/zinc/19/25/41/1097192541.db2.gz NJSKOXRPBKIIPC-QAETUUGQSA-N 2 1 324.509 3.336 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172606691 1097193659 /nfs/dbraw/zinc/19/36/59/1097193659.db2.gz VAEJMUSYROCKMC-UOVPBQLFSA-N 2 1 324.509 3.479 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172752291 1097229810 /nfs/dbraw/zinc/22/98/10/1097229810.db2.gz ONQSGFNXHICPEJ-ZOBUZTSGSA-N 2 1 310.482 3.231 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001172760929 1097232403 /nfs/dbraw/zinc/23/24/03/1097232403.db2.gz BYWORHMHBZLOND-INIZCTEOSA-N 2 1 310.482 3.057 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172763485 1097233784 /nfs/dbraw/zinc/23/37/84/1097233784.db2.gz JRXJZGFMUMEOJL-MRXNPFEDSA-N 2 1 312.498 3.159 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172803266 1097254201 /nfs/dbraw/zinc/25/42/01/1097254201.db2.gz NKOJUNDFMFYMTE-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172865576 1097255472 /nfs/dbraw/zinc/25/54/72/1097255472.db2.gz CZUVUUXDPNNBTJ-YUELXQCFSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172865576 1097255477 /nfs/dbraw/zinc/25/54/77/1097255477.db2.gz CZUVUUXDPNNBTJ-YUELXQCFSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172865576 1097255480 /nfs/dbraw/zinc/25/54/80/1097255480.db2.gz CZUVUUXDPNNBTJ-YUELXQCFSA-N 2 1 310.844 3.294 20 0 DGADMP CO[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001172928856 1097284488 /nfs/dbraw/zinc/28/44/88/1097284488.db2.gz MLXDTDFPQSKBEM-GJZGRUSLSA-N 2 1 306.425 3.033 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172938276 1097286737 /nfs/dbraw/zinc/28/67/37/1097286737.db2.gz NTFPKRBYUUZBHB-MSOLQXFVSA-N 2 1 306.494 3.284 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C1 ZINC001172939193 1097286884 /nfs/dbraw/zinc/28/68/84/1097286884.db2.gz QAOXWOJHAGEVHM-WCXIOVBPSA-N 2 1 320.502 3.069 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206185550 1097307451 /nfs/dbraw/zinc/30/74/51/1097307451.db2.gz OGMDFLNLLZQYIC-UONOGXRCSA-N 2 1 304.331 3.275 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H](C)C1 ZINC001173044389 1097311793 /nfs/dbraw/zinc/31/17/93/1097311793.db2.gz CDZBKXPTOJIREX-AEFFLSMTSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001173082130 1097326625 /nfs/dbraw/zinc/32/66/25/1097326625.db2.gz JGGJOIWWFAQCKP-JSGCOSHPSA-N 2 1 316.367 3.058 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2(C(=O)OC)CCCCC2)CC1 ZINC001173104053 1097330472 /nfs/dbraw/zinc/33/04/72/1097330472.db2.gz DKWIVPFALPAKMQ-UHFFFAOYSA-N 2 1 310.482 3.105 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001173109201 1097331793 /nfs/dbraw/zinc/33/17/93/1097331793.db2.gz HKFLMSSSXOFKJT-UHFFFAOYSA-N 2 1 302.462 3.403 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncc(C)cc3C2)CC1 ZINC001173114036 1097332603 /nfs/dbraw/zinc/33/26/03/1097332603.db2.gz TWEYHOKVKCUTKH-UHFFFAOYSA-N 2 1 301.478 3.401 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC001173113436 1097333001 /nfs/dbraw/zinc/33/30/01/1097333001.db2.gz QEHVIWFNKYKBIL-CTWPCTMYSA-N 2 1 317.477 3.108 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC001173113991 1097333047 /nfs/dbraw/zinc/33/30/47/1097333047.db2.gz RGHAUCYVQOCDEE-ABHNRTSZSA-N 2 1 317.477 3.188 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001173110879 1097333116 /nfs/dbraw/zinc/33/31/16/1097333116.db2.gz UHJSWRBALZVLIJ-LMDPOFIKSA-N 3 1 309.542 3.480 20 0 DGADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173115088 1097333918 /nfs/dbraw/zinc/33/39/18/1097333918.db2.gz OQOCWTNHSDBALP-MRXNPFEDSA-N 2 1 310.482 3.140 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001173128773 1097337372 /nfs/dbraw/zinc/33/73/72/1097337372.db2.gz JPNVXPFXKHTLHA-GOEBONIOSA-N 2 1 315.486 3.097 20 0 DGADMP CC[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173198659 1097359934 /nfs/dbraw/zinc/35/99/34/1097359934.db2.gz YTJXFUURHWSXBH-UHFFFAOYSA-N 2 1 302.462 3.451 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001173265216 1097389329 /nfs/dbraw/zinc/38/93/29/1097389329.db2.gz QWYPLJNDOYFLPM-QFBILLFUSA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278926 1097411488 /nfs/dbraw/zinc/41/14/88/1097411488.db2.gz IWEVERYBHLPJDB-GSEOLPGOSA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278926 1097411492 /nfs/dbraw/zinc/41/14/92/1097411492.db2.gz IWEVERYBHLPJDB-GSEOLPGOSA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278926 1097411494 /nfs/dbraw/zinc/41/14/94/1097411494.db2.gz IWEVERYBHLPJDB-GSEOLPGOSA-N 2 1 320.521 3.388 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197882 1097416789 /nfs/dbraw/zinc/41/67/89/1097416789.db2.gz JUWHHQJIQNBUDS-IRXDYDNUSA-N 2 1 302.393 3.110 20 0 DGADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173347481 1097424904 /nfs/dbraw/zinc/42/49/04/1097424904.db2.gz DJLJMYBCOLKVEA-JKSUJKDBSA-N 2 1 310.482 3.140 20 0 DGADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3cc(Br)ccc32)C1 ZINC001173354003 1097430353 /nfs/dbraw/zinc/43/03/53/1097430353.db2.gz UYLIERWRSYBORB-CYBMUJFWSA-N 2 1 322.250 3.129 20 0 DGADMP OCc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001203183616 1097435761 /nfs/dbraw/zinc/43/57/61/1097435761.db2.gz XJGJLBJJBSSOMC-UHFFFAOYSA-N 2 1 314.473 3.019 20 0 DGADMP OCc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001203183616 1097435764 /nfs/dbraw/zinc/43/57/64/1097435764.db2.gz XJGJLBJJBSSOMC-UHFFFAOYSA-N 2 1 314.473 3.019 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173437573 1097438238 /nfs/dbraw/zinc/43/82/38/1097438238.db2.gz NCIMXHNNNGSFAL-IXDOHACOSA-N 2 1 312.498 3.066 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173478512 1097445788 /nfs/dbraw/zinc/44/57/88/1097445788.db2.gz SLYOXSHPCSDTPX-MUJYYYPQSA-N 2 1 306.400 3.037 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173478512 1097445790 /nfs/dbraw/zinc/44/57/90/1097445790.db2.gz SLYOXSHPCSDTPX-MUJYYYPQSA-N 2 1 306.400 3.037 20 0 DGADMP [NH3+]C1(CC2CC2)CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476534 1097445936 /nfs/dbraw/zinc/44/59/36/1097445936.db2.gz YFGCMQUKAKDAFP-UHFFFAOYSA-N 2 1 306.400 3.025 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001173445896 1097449591 /nfs/dbraw/zinc/44/95/91/1097449591.db2.gz PBOQQNSJOJVOQI-WMZOPIPTSA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001173445896 1097449593 /nfs/dbraw/zinc/44/95/93/1097449593.db2.gz PBOQQNSJOJVOQI-WMZOPIPTSA-N 2 1 324.509 3.353 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173619656 1097472701 /nfs/dbraw/zinc/47/27/01/1097472701.db2.gz BMTZKRDLIJDHKY-DOTOQJQBSA-N 2 1 310.482 3.092 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173626536 1097474683 /nfs/dbraw/zinc/47/46/83/1097474683.db2.gz KARDLFQRWLEJAH-HFCFLWKCSA-N 2 1 324.509 3.162 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629880 1097477814 /nfs/dbraw/zinc/47/78/14/1097477814.db2.gz CMWPWVRMDCIOGR-LAQRGFTBSA-N 2 1 322.493 3.233 20 0 DGADMP CC(=O)Oc1ccc(C2CCC([N@H+](C)C[C@H](C)C[NH3+])CC2)cc1 ZINC001173785747 1097512855 /nfs/dbraw/zinc/51/28/55/1097512855.db2.gz HHYFSTMAAQKVQO-MXWWQKGMSA-N 2 1 318.461 3.165 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001231442706 1097750620 /nfs/dbraw/zinc/75/06/20/1097750620.db2.gz URVWXTLLZLPQHK-NRFANRHFSA-N 2 1 323.484 3.433 20 0 DGADMP CN(C)c1ccc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001231442706 1097750623 /nfs/dbraw/zinc/75/06/23/1097750623.db2.gz URVWXTLLZLPQHK-NRFANRHFSA-N 2 1 323.484 3.433 20 0 DGADMP c1[nH]c2cccnc2c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231489816 1097761484 /nfs/dbraw/zinc/76/14/84/1097761484.db2.gz LYKUFTVPGYJCOJ-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2cccnc12 ZINC001231491719 1097761971 /nfs/dbraw/zinc/76/19/71/1097761971.db2.gz YRHCQQZZXSZILE-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cccnc12 ZINC001231491719 1097761977 /nfs/dbraw/zinc/76/19/77/1097761977.db2.gz YRHCQQZZXSZILE-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2cccnc12 ZINC001231491719 1097761983 /nfs/dbraw/zinc/76/19/83/1097761983.db2.gz YRHCQQZZXSZILE-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3cc[nH]c3cn2)CC1 ZINC001231670556 1097811370 /nfs/dbraw/zinc/81/13/70/1097811370.db2.gz AWIGSPGNYSCRRJ-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3cc[nH]c3cn2)CC1 ZINC001231670556 1097811379 /nfs/dbraw/zinc/81/13/79/1097811379.db2.gz AWIGSPGNYSCRRJ-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCc1ccc(C)[nH+]c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174812634 1097861525 /nfs/dbraw/zinc/86/15/25/1097861525.db2.gz NDJMDYGSXSYVHN-UHFFFAOYSA-N 2 1 310.445 3.448 20 0 DGADMP COC(C)(C)C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277584338 1097886408 /nfs/dbraw/zinc/88/64/08/1097886408.db2.gz GXBQTFXGEMLPTO-UHFFFAOYSA-N 2 1 319.493 3.118 20 0 DGADMP c1c(C[NH+]2CCC(Oc3ccccn3)CC2)[nH]c2cc[nH+]cc12 ZINC001232013563 1097916626 /nfs/dbraw/zinc/91/66/26/1097916626.db2.gz BRMZSTXYWGDPTN-UHFFFAOYSA-N 2 1 308.385 3.001 20 0 DGADMP Cc1cccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001232011032 1097916992 /nfs/dbraw/zinc/91/69/92/1097916992.db2.gz GVEZPCZEXVBNDV-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP C[C@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001232016983 1097917660 /nfs/dbraw/zinc/91/76/60/1097917660.db2.gz JCRHSJPRJBUFND-INIZCTEOSA-N 2 1 320.440 3.269 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cccc(OC)c23)CC1 ZINC001232035961 1097922743 /nfs/dbraw/zinc/92/27/43/1097922743.db2.gz UFAWMFXZZNZGAN-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cccc(OC)c23)CC1 ZINC001232035961 1097922748 /nfs/dbraw/zinc/92/27/48/1097922748.db2.gz UFAWMFXZZNZGAN-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3ccncc3[nH]2)CC1 ZINC001232093461 1097937108 /nfs/dbraw/zinc/93/71/08/1097937108.db2.gz WMVOTQFFWJQNEG-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP C[N@@H+](Cc1c(F)cc(F)cc1Cl)CC1CC[NH+](C)CC1 ZINC001232102674 1097939975 /nfs/dbraw/zinc/93/99/75/1097939975.db2.gz VUWDGURMBNYYEI-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[N@H+](Cc1c(F)cc(F)cc1Cl)CC1CC[NH+](C)CC1 ZINC001232102674 1097939980 /nfs/dbraw/zinc/93/99/80/1097939980.db2.gz VUWDGURMBNYYEI-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001232144394 1097948936 /nfs/dbraw/zinc/94/89/36/1097948936.db2.gz KEDXHHYKJJYXMO-GASCZTMLSA-N 2 1 312.379 3.364 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCC1(F)F ZINC001232143708 1097949432 /nfs/dbraw/zinc/94/94/32/1097949432.db2.gz BTMXCVOSKVROII-LBPRGKRZSA-N 2 1 300.368 3.364 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC001232144379 1097950175 /nfs/dbraw/zinc/95/01/75/1097950175.db2.gz JWPBJOGJGRWJSN-UHFFFAOYSA-N 2 1 302.393 3.225 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CCN(C)CC1 ZINC001232148412 1097951266 /nfs/dbraw/zinc/95/12/66/1097951266.db2.gz CIXFJMORIAWGJJ-UHFFFAOYSA-N 2 1 321.484 3.192 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c1 ZINC001232150077 1097951789 /nfs/dbraw/zinc/95/17/89/1097951789.db2.gz RZONUVJRMFUYTM-MRXNPFEDSA-N 2 1 320.452 3.136 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccnc(C(C)(C)C)c3)C[C@H]2C1 ZINC001232220216 1097971547 /nfs/dbraw/zinc/97/15/47/1097971547.db2.gz HORUOXNZDGQLMI-CALCHBBNSA-N 2 1 301.478 3.153 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001232353343 1098011997 /nfs/dbraw/zinc/01/19/97/1098011997.db2.gz LZNDPUSZRXCTGQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001232353343 1098012002 /nfs/dbraw/zinc/01/20/02/1098012002.db2.gz LZNDPUSZRXCTGQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001232353343 1098012007 /nfs/dbraw/zinc/01/20/07/1098012007.db2.gz LZNDPUSZRXCTGQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001232353343 1098012008 /nfs/dbraw/zinc/01/20/08/1098012008.db2.gz LZNDPUSZRXCTGQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP C[N@@H+](Cc1ncc(Cl)cc1Cl)CC1CC[NH+](C)CC1 ZINC001232573436 1098080930 /nfs/dbraw/zinc/08/09/30/1098080930.db2.gz XRSPCTORIDGFOS-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP C[N@H+](Cc1ncc(Cl)cc1Cl)CC1CC[NH+](C)CC1 ZINC001232573436 1098080935 /nfs/dbraw/zinc/08/09/35/1098080935.db2.gz XRSPCTORIDGFOS-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232822860 1098145026 /nfs/dbraw/zinc/14/50/26/1098145026.db2.gz ZDKBWBTUCVZAHA-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232822860 1098145031 /nfs/dbraw/zinc/14/50/31/1098145031.db2.gz ZDKBWBTUCVZAHA-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP C[N@H+](Cc1ccc(F)c(F)c1Cl)CC1CC[NH+](C)CC1 ZINC001232875106 1098158007 /nfs/dbraw/zinc/15/80/07/1098158007.db2.gz BAOBLCCYZCFZHP-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(OC)c2ccccc12 ZINC001232950420 1098181905 /nfs/dbraw/zinc/18/19/05/1098181905.db2.gz GJNKXYADKYLKAN-UHFFFAOYSA-N 2 1 315.461 3.407 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1c[nH+]cn1C ZINC001277765380 1098233276 /nfs/dbraw/zinc/23/32/76/1098233276.db2.gz GIIBBMVBXNEMMJ-YESZJQIVSA-N 2 1 304.482 3.290 20 0 DGADMP Cc1ncc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)o1 ZINC001233364945 1098303012 /nfs/dbraw/zinc/30/30/12/1098303012.db2.gz NHTWMUXQSHJETA-UHFFFAOYSA-N 2 1 322.412 3.162 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263200 1098309158 /nfs/dbraw/zinc/30/91/58/1098309158.db2.gz RAJRAVHLFLFYRL-FUMNGEBKSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263200 1098309167 /nfs/dbraw/zinc/30/91/67/1098309167.db2.gz RAJRAVHLFLFYRL-FUMNGEBKSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263200 1098309175 /nfs/dbraw/zinc/30/91/75/1098309175.db2.gz RAJRAVHLFLFYRL-FUMNGEBKSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ccc3nccn3c2)C1 ZINC001233755826 1098423067 /nfs/dbraw/zinc/42/30/67/1098423067.db2.gz URYPERKNPKGQGR-HZPDHXFCSA-N 2 1 322.412 3.334 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001277808518 1098433147 /nfs/dbraw/zinc/43/31/47/1098433147.db2.gz YGJRUNIVOVSWSI-QGZVFWFLSA-N 2 1 318.509 3.205 20 0 DGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754119 1098434338 /nfs/dbraw/zinc/43/43/38/1098434338.db2.gz QWNQXEIXCOZWFJ-MRXNPFEDSA-N 2 1 313.530 3.027 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCOCc2ccccc2)CC1 ZINC001206296032 1098490605 /nfs/dbraw/zinc/49/06/05/1098490605.db2.gz OWAKYXFUFRPPCL-IBGZPJMESA-N 2 1 304.478 3.434 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCOCC3)cc2)C1 ZINC001177256257 1098503680 /nfs/dbraw/zinc/50/36/80/1098503680.db2.gz CTLNTXGBODXARE-MRXNPFEDSA-N 2 1 302.462 3.187 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638087 1098571889 /nfs/dbraw/zinc/57/18/89/1098571889.db2.gz SZMILLHLLHFEFY-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC001177803661 1098619605 /nfs/dbraw/zinc/61/96/05/1098619605.db2.gz CIJRTKAFKVCSLI-LJQANCHMSA-N 2 1 302.462 3.036 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234979008 1098732208 /nfs/dbraw/zinc/73/22/08/1098732208.db2.gz MREMVRJWBFNBKQ-KDURUIRLSA-N 2 1 308.425 3.013 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026689 1098756313 /nfs/dbraw/zinc/75/63/13/1098756313.db2.gz PXECPSJYCJBTGL-AZUAARDMSA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026689 1098756325 /nfs/dbraw/zinc/75/63/25/1098756325.db2.gz PXECPSJYCJBTGL-AZUAARDMSA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235027201 1098756832 /nfs/dbraw/zinc/75/68/32/1098756832.db2.gz XAYQDGCUSYBWDL-AZUAARDMSA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235027201 1098756839 /nfs/dbraw/zinc/75/68/39/1098756839.db2.gz XAYQDGCUSYBWDL-AZUAARDMSA-N 2 1 308.425 3.156 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024606 1098757721 /nfs/dbraw/zinc/75/77/21/1098757721.db2.gz OWDUPQNRXDHUFR-UHFFFAOYSA-N 2 1 322.452 3.369 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024606 1098757727 /nfs/dbraw/zinc/75/77/27/1098757727.db2.gz OWDUPQNRXDHUFR-UHFFFAOYSA-N 2 1 322.452 3.369 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235036314 1098764115 /nfs/dbraw/zinc/76/41/15/1098764115.db2.gz LOKOLRWVFBZNCQ-LJQANCHMSA-N 2 1 302.462 3.276 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042916 1098768501 /nfs/dbraw/zinc/76/85/01/1098768501.db2.gz CSBOQFJYCXQDPU-SFHVURJKSA-N 2 1 324.415 3.439 20 0 DGADMP CC(C)Oc1ncccc1CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041815 1098769090 /nfs/dbraw/zinc/76/90/90/1098769090.db2.gz TUXVVCLQPCEHDJ-IBGZPJMESA-N 2 1 317.477 3.019 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041856 1098769255 /nfs/dbraw/zinc/76/92/55/1098769255.db2.gz UHDMIQFEPJVOGT-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001206325113 1098786227 /nfs/dbraw/zinc/78/62/27/1098786227.db2.gz FSVFRBMZSZDJLS-MRXNPFEDSA-N 2 1 316.367 3.378 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091379 1098793780 /nfs/dbraw/zinc/79/37/80/1098793780.db2.gz AMVLYHXKWGTUAT-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1CC ZINC001235092522 1098795750 /nfs/dbraw/zinc/79/57/50/1098795750.db2.gz KYUISUUAHLWODR-UHFFFAOYSA-N 2 1 302.462 3.223 20 0 DGADMP Fc1ccc(C(F)(F)F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235091935 1098796366 /nfs/dbraw/zinc/79/63/66/1098796366.db2.gz FNNNDCRLKIXVIV-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP c1ccc2[nH]c(C[NH2+][C@@]34CC[C@@]([NH2+]C5CC5)(C3)CCC4)nc2c1 ZINC001277922313 1098799013 /nfs/dbraw/zinc/79/90/13/1098799013.db2.gz KJJBCLHJVGPLJQ-RBUKOAKNSA-N 2 1 310.445 3.250 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CCCC1 ZINC001178449393 1098822860 /nfs/dbraw/zinc/82/28/60/1098822860.db2.gz OGUASYSZGRALHS-UHFFFAOYSA-N 2 1 313.445 3.152 20 0 DGADMP c1ccc(COCC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235151505 1098836658 /nfs/dbraw/zinc/83/66/58/1098836658.db2.gz HDBIVHSCEHEWAM-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP COc1cccc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235151894 1098837761 /nfs/dbraw/zinc/83/77/61/1098837761.db2.gz JEKQVMOEXOLKKO-LJQANCHMSA-N 2 1 302.462 3.092 20 0 DGADMP CCC1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001178463993 1098840328 /nfs/dbraw/zinc/84/03/28/1098840328.db2.gz UJDRCLVNGKONJW-RRWXTXHCSA-N 2 1 316.489 3.312 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1Cl ZINC001235154677 1098841458 /nfs/dbraw/zinc/84/14/58/1098841458.db2.gz ADBPZYGADAZLBN-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1C ZINC001235155510 1098841627 /nfs/dbraw/zinc/84/16/27/1098841627.db2.gz OXCCKQSGDKBQMJ-SFHVURJKSA-N 2 1 302.462 3.358 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)cc1F ZINC001235156138 1098841868 /nfs/dbraw/zinc/84/18/68/1098841868.db2.gz MWZSQIXSGXAKNN-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP COc1c(F)cccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160498 1098844165 /nfs/dbraw/zinc/84/41/65/1098844165.db2.gz POFTUNNAHNVSGL-QGZVFWFLSA-N 2 1 306.425 3.188 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235162500 1098846361 /nfs/dbraw/zinc/84/63/61/1098846361.db2.gz VXCPBUSTDIGFAI-INIZCTEOSA-N 2 1 319.518 3.376 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167636 1098851025 /nfs/dbraw/zinc/85/10/25/1098851025.db2.gz LKNHMPNEHJTFBX-FQEVSTJZSA-N 2 1 324.472 3.289 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235167637 1098851394 /nfs/dbraw/zinc/85/13/94/1098851394.db2.gz LKNHMPNEHJTFBX-HXUWFJFHSA-N 2 1 324.472 3.289 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc21 ZINC001235186052 1098862739 /nfs/dbraw/zinc/86/27/39/1098862739.db2.gz ZNKDCZVWDZVSKG-SJORKVTESA-N 2 1 319.452 3.373 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235187022 1098863931 /nfs/dbraw/zinc/86/39/31/1098863931.db2.gz QPARYAOZEORRMZ-MSOLQXFVSA-N 2 1 302.462 3.297 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235187022 1098863943 /nfs/dbraw/zinc/86/39/43/1098863943.db2.gz QPARYAOZEORRMZ-MSOLQXFVSA-N 2 1 302.462 3.297 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(-c4ccsc4)cs3)C[C@@H]2C1 ZINC001235188505 1098865686 /nfs/dbraw/zinc/86/56/86/1098865686.db2.gz JRGYNUIORLOXNA-GASCZTMLSA-N 2 1 304.484 3.470 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(-c4ccsc4)cs3)C[C@@H]2C1 ZINC001235188505 1098865692 /nfs/dbraw/zinc/86/56/92/1098865692.db2.gz JRGYNUIORLOXNA-GASCZTMLSA-N 2 1 304.484 3.470 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(-c4ccsc4)cs3)C[C@@H]2C1 ZINC001235188505 1098865705 /nfs/dbraw/zinc/86/57/05/1098865705.db2.gz JRGYNUIORLOXNA-GASCZTMLSA-N 2 1 304.484 3.470 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(-c4ccsc4)cs3)C[C@@H]2C1 ZINC001235188505 1098865717 /nfs/dbraw/zinc/86/57/17/1098865717.db2.gz JRGYNUIORLOXNA-GASCZTMLSA-N 2 1 304.484 3.470 20 0 DGADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC1 ZINC001235225447 1098897806 /nfs/dbraw/zinc/89/78/06/1098897806.db2.gz UISVGAMYGXFBEB-KBXIAJHMSA-N 2 1 302.384 3.063 20 0 DGADMP CCCCc1nc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c[nH]1 ZINC001235227343 1098902389 /nfs/dbraw/zinc/90/23/89/1098902389.db2.gz HZAUODDBMBXXGU-KRWDZBQOSA-N 2 1 304.482 3.106 20 0 DGADMP COc1c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc(F)c1F ZINC001235236964 1098909291 /nfs/dbraw/zinc/90/92/91/1098909291.db2.gz IGTGRYBSHUDKJF-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001235241000 1098912857 /nfs/dbraw/zinc/91/28/57/1098912857.db2.gz PFRPVHPUPRTCIN-NLWGTHIKSA-N 2 1 320.521 3.467 20 0 DGADMP COc1c(F)ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235243292 1098915741 /nfs/dbraw/zinc/91/57/41/1098915741.db2.gz WSXHAALUHMOIAO-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP O=c1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CCCC2)CC3)[nH]1 ZINC001277930117 1098918522 /nfs/dbraw/zinc/91/85/22/1098918522.db2.gz DLLFPQQAYFVGHO-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264072 1098934874 /nfs/dbraw/zinc/93/48/74/1098934874.db2.gz VWXHIOLNJQUBLI-UYAOXDASSA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264072 1098934878 /nfs/dbraw/zinc/93/48/78/1098934878.db2.gz VWXHIOLNJQUBLI-UYAOXDASSA-N 2 1 308.425 3.156 20 0 DGADMP CC1(C[N@H+]2CCc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC001235284196 1098942223 /nfs/dbraw/zinc/94/22/23/1098942223.db2.gz UYXRWDUEEXWVRJ-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP Fc1ccc(Cl)c(F)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335351 1098959790 /nfs/dbraw/zinc/95/97/90/1098959790.db2.gz LVVDUCBTWNJDLD-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP Fc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(Cl)c1F ZINC001235338239 1098962612 /nfs/dbraw/zinc/96/26/12/1098962612.db2.gz FADZGHZYTJZXOY-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP c1ccc(C(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c2ccccc2)cc1 ZINC001235337259 1098963126 /nfs/dbraw/zinc/96/31/26/1098963126.db2.gz HWOOORWEUAQFBT-IBGZPJMESA-N 2 1 306.453 3.360 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235340102 1098963998 /nfs/dbraw/zinc/96/39/98/1098963998.db2.gz HLUGTWOXXRHCQM-HXUWFJFHSA-N 2 1 306.453 3.319 20 0 DGADMP Fc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001235341146 1098965205 /nfs/dbraw/zinc/96/52/05/1098965205.db2.gz OPBJVDWHILYCLH-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP Clc1ccc(CCC[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235342115 1098966261 /nfs/dbraw/zinc/96/62/61/1098966261.db2.gz STUBLXNJDPQTKZ-ZDUSSCGKSA-N 2 1 313.272 3.467 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348438 1098970116 /nfs/dbraw/zinc/97/01/16/1098970116.db2.gz FJXLQRBFLRSRCU-OUJGAGHGSA-N 2 1 308.469 3.278 20 0 DGADMP CS[C@@H](C)CC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348112 1098970331 /nfs/dbraw/zinc/97/03/31/1098970331.db2.gz AGAXTBUNERSQSP-CGTJXYLNSA-N 2 1 304.503 3.207 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001235355305 1098975808 /nfs/dbraw/zinc/97/58/08/1098975808.db2.gz NOBPLQWQRGIFDK-NHCUHLMSSA-N 2 1 321.468 3.223 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001235355305 1098975818 /nfs/dbraw/zinc/97/58/18/1098975818.db2.gz NOBPLQWQRGIFDK-NHCUHLMSSA-N 2 1 321.468 3.223 20 0 DGADMP c1cc2n(c1C[N@@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CCC2 ZINC001235357984 1098978068 /nfs/dbraw/zinc/97/80/68/1098978068.db2.gz IKCVOCYMZSWZIM-NHCUHLMSSA-N 2 1 321.468 3.013 20 0 DGADMP c1cc2n(c1C[N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CCC2 ZINC001235357984 1098978073 /nfs/dbraw/zinc/97/80/73/1098978073.db2.gz IKCVOCYMZSWZIM-NHCUHLMSSA-N 2 1 321.468 3.013 20 0 DGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1C ZINC001235400548 1098996571 /nfs/dbraw/zinc/99/65/71/1098996571.db2.gz KHLDDZIQWHRFND-IAGOWNOFSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1C ZINC001235400548 1098996577 /nfs/dbraw/zinc/99/65/77/1098996577.db2.gz KHLDDZIQWHRFND-IAGOWNOFSA-N 2 1 310.844 3.480 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401522 1098996963 /nfs/dbraw/zinc/99/69/63/1098996963.db2.gz GWDPDLCEELUMFX-OALUTQOASA-N 2 1 304.453 3.409 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235401863 1098997664 /nfs/dbraw/zinc/99/76/64/1098997664.db2.gz HZULMTDJRMPBRZ-DLBZAZTESA-N 2 1 310.844 3.296 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCCCc1ccccc1)C2 ZINC001235403604 1098999357 /nfs/dbraw/zinc/99/93/57/1098999357.db2.gz LJFMTUANQMKCNK-OALUTQOASA-N 2 1 304.453 3.423 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1C(C)C ZINC001235403594 1099000092 /nfs/dbraw/zinc/00/00/92/1099000092.db2.gz LHFRYKDBUXLRQE-OALUTQOASA-N 2 1 320.452 3.342 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1C(C)C ZINC001235403594 1099000104 /nfs/dbraw/zinc/00/01/04/1099000104.db2.gz LHFRYKDBUXLRQE-OALUTQOASA-N 2 1 320.452 3.342 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3sccc31)C2 ZINC001235405042 1099000698 /nfs/dbraw/zinc/00/06/98/1099000698.db2.gz NBMRCWLXBIGXGD-IAGOWNOFSA-N 2 1 304.434 3.425 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](CCCc1ccccc1Cl)C2 ZINC001235405473 1099002381 /nfs/dbraw/zinc/00/23/81/1099002381.db2.gz PCPVDYFWEFLHGG-DLBZAZTESA-N 2 1 310.844 3.296 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001235405473 1099002394 /nfs/dbraw/zinc/00/23/94/1099002394.db2.gz PCPVDYFWEFLHGG-DLBZAZTESA-N 2 1 310.844 3.296 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235409998 1099006795 /nfs/dbraw/zinc/00/67/95/1099006795.db2.gz WVFJTTNOKVMBJI-RBUKOAKNSA-N 2 1 302.437 3.089 20 0 DGADMP COc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235421570 1099013164 /nfs/dbraw/zinc/01/31/64/1099013164.db2.gz BJWMWWOQZOGUGT-CABCVRRESA-N 2 1 306.425 3.046 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CCCO2 ZINC001235421062 1099013286 /nfs/dbraw/zinc/01/32/86/1099013286.db2.gz AVQIGXBOGKLOHY-RTBURBONSA-N 2 1 314.473 3.223 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424036 1099015144 /nfs/dbraw/zinc/01/51/44/1099015144.db2.gz IYCKMELZWSIYHH-LSDHHAIUSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426661 1099019942 /nfs/dbraw/zinc/01/99/42/1099019942.db2.gz PNOOUWGHARTPKE-MOPGFXCFSA-N 2 1 316.489 3.339 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC001235427470 1099020334 /nfs/dbraw/zinc/02/03/34/1099020334.db2.gz NHSSSGSQNBXUKS-SJLPKXTDSA-N 2 1 317.477 3.000 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)cc1F ZINC001235428089 1099021387 /nfs/dbraw/zinc/02/13/87/1099021387.db2.gz OSEHJWSLIDGUSJ-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP CCCOc1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429649 1099022146 /nfs/dbraw/zinc/02/21/46/1099022146.db2.gz UVJVAXOOORJBJN-SJORKVTESA-N 2 1 317.477 3.082 20 0 DGADMP COc1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235430078 1099024454 /nfs/dbraw/zinc/02/44/54/1099024454.db2.gz CWKBDNDHDBRXLG-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235430825 1099026715 /nfs/dbraw/zinc/02/67/15/1099026715.db2.gz YCXUKSBGEUQBAG-RTBURBONSA-N 2 1 302.462 3.045 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+](C)CC3CC[NH2+]CC3)c2)cc1 ZINC001235432106 1099027401 /nfs/dbraw/zinc/02/74/01/1099027401.db2.gz IKHKSQDMQJONTQ-UHFFFAOYSA-N 2 1 309.457 3.488 20 0 DGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432391 1099028944 /nfs/dbraw/zinc/02/89/44/1099028944.db2.gz XFNWOPNBJKGQNB-LSDHHAIUSA-N 2 1 308.416 3.485 20 0 DGADMP C[N@H+](Cc1cc(F)ccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC001235433092 1099032011 /nfs/dbraw/zinc/03/20/11/1099032011.db2.gz GEERQAMYZHFNPJ-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CC[C@@H]([NH3+])C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001235439351 1099033584 /nfs/dbraw/zinc/03/35/84/1099033584.db2.gz CGAQEHIJXRDBOW-OAHLLOKOSA-N 2 1 311.267 3.366 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc(Br)c2ccccc2c1 ZINC001235445941 1099038965 /nfs/dbraw/zinc/03/89/65/1099038965.db2.gz VWDBPUWPRJEFGM-UHFFFAOYSA-N 2 1 307.235 3.383 20 0 DGADMP Cc1c(Br)ccc(C[N@H+](C)C2CC[NH2+]CC2)c1C ZINC001235466014 1099052397 /nfs/dbraw/zinc/05/23/97/1099052397.db2.gz NWNHICZOWKMUMQ-UHFFFAOYSA-N 2 1 311.267 3.250 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)cnc3SC)(C1)CCC2 ZINC001277950233 1099068993 /nfs/dbraw/zinc/06/89/93/1099068993.db2.gz VXUUDJKAOMUGHX-DLBZAZTESA-N 2 1 305.491 3.266 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CCCC[NH3+])C[C@H]21 ZINC001235562067 1099085921 /nfs/dbraw/zinc/08/59/21/1099085921.db2.gz WKSCIRARSLDRKZ-CGTJXYLNSA-N 2 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCCC[NH3+])C[C@H]21 ZINC001235562067 1099085931 /nfs/dbraw/zinc/08/59/31/1099085931.db2.gz WKSCIRARSLDRKZ-CGTJXYLNSA-N 3 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCCC[NH3+])C[C@H]21 ZINC001235562067 1099085942 /nfs/dbraw/zinc/08/59/42/1099085942.db2.gz WKSCIRARSLDRKZ-CGTJXYLNSA-N 3 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCCC[NH3+])C[C@H]21 ZINC001235562067 1099085952 /nfs/dbraw/zinc/08/59/52/1099085952.db2.gz WKSCIRARSLDRKZ-CGTJXYLNSA-N 2 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCCC[NH3+])C[C@H]21 ZINC001235562067 1099085961 /nfs/dbraw/zinc/08/59/61/1099085961.db2.gz WKSCIRARSLDRKZ-CGTJXYLNSA-N 2 1 321.534 3.019 20 0 DGADMP CC[C@H]([NH3+])CN1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235560315 1099087763 /nfs/dbraw/zinc/08/77/63/1099087763.db2.gz QDPCEABLVDCIEN-UOVPBQLFSA-N 2 1 321.534 3.018 20 0 DGADMP C[N@@H+](CCCc1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235670512 1099114236 /nfs/dbraw/zinc/11/42/36/1099114236.db2.gz TZBBTONACZCMLS-UHFFFAOYSA-N 2 1 300.471 3.458 20 0 DGADMP C[N@@H+](CCCc1ccccc1)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235669787 1099114433 /nfs/dbraw/zinc/11/44/33/1099114433.db2.gz JVIOFCKBDYCHGL-UHFFFAOYSA-N 2 1 300.471 3.458 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235673799 1099115673 /nfs/dbraw/zinc/11/56/73/1099115673.db2.gz HSWDTDZSAQMHMO-FQEVSTJZSA-N 2 1 322.452 3.294 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]C2CCCCC2)C[C@H]1c1ccccc1 ZINC001235674478 1099118494 /nfs/dbraw/zinc/11/84/94/1099118494.db2.gz TXVJVSZLNWZSIX-FQEVSTJZSA-N 2 1 315.505 3.288 20 0 DGADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235674738 1099118551 /nfs/dbraw/zinc/11/85/51/1099118551.db2.gz NHOAUTFHBOLFKW-NRFANRHFSA-N 2 1 321.468 3.433 20 0 DGADMP C[NH2+]CC1CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001235677217 1099119571 /nfs/dbraw/zinc/11/95/71/1099119571.db2.gz YULMBEYDQCPTID-WJDWOHSUSA-N 2 1 323.278 3.354 20 0 DGADMP CC1(C)N[C@@H](CC[N@@H+]2CCCC[C@@H]2c2ccccc2F)CO1 ZINC001235677658 1099120660 /nfs/dbraw/zinc/12/06/60/1099120660.db2.gz HSRPPULDFXPZKL-WMLDXEAASA-N 2 1 306.425 3.467 20 0 DGADMP CC1(C)N[C@@H](CC[N@H+]2CCCC[C@@H]2c2ccccc2F)CO1 ZINC001235677658 1099120666 /nfs/dbraw/zinc/12/06/66/1099120666.db2.gz HSRPPULDFXPZKL-WMLDXEAASA-N 2 1 306.425 3.467 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235689678 1099128210 /nfs/dbraw/zinc/12/82/10/1099128210.db2.gz BAIZMEBCZOTJHI-GOSISDBHSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689331 1099128392 /nfs/dbraw/zinc/12/83/92/1099128392.db2.gz DGNNREZLPVCWQE-QMCVRULOSA-N 2 1 312.448 3.378 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689331 1099128394 /nfs/dbraw/zinc/12/83/94/1099128394.db2.gz DGNNREZLPVCWQE-QMCVRULOSA-N 2 1 312.448 3.378 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2cccs2)CC1 ZINC001235692013 1099130147 /nfs/dbraw/zinc/13/01/47/1099130147.db2.gz MWHWBLAPMSPKRG-OCCSQVGLSA-N 2 1 314.445 3.418 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235691557 1099130520 /nfs/dbraw/zinc/13/05/20/1099130520.db2.gz KMMCWCRXENWZBA-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235690397 1099130569 /nfs/dbraw/zinc/13/05/69/1099130569.db2.gz FUEGIVRCHALFHD-FQEVSTJZSA-N 2 1 308.425 3.333 20 0 DGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CCCCCO)CC1 ZINC001235712698 1099141627 /nfs/dbraw/zinc/14/16/27/1099141627.db2.gz NOMXQCGCCHWZNF-UHFFFAOYSA-N 2 1 304.478 3.136 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCCCO)CC1 ZINC001235712698 1099141632 /nfs/dbraw/zinc/14/16/32/1099141632.db2.gz NOMXQCGCCHWZNF-UHFFFAOYSA-N 2 1 304.478 3.136 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235714083 1099142071 /nfs/dbraw/zinc/14/20/71/1099142071.db2.gz GUDLJHNORNPDAN-BPUTZDHNSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235714083 1099142073 /nfs/dbraw/zinc/14/20/73/1099142073.db2.gz GUDLJHNORNPDAN-BPUTZDHNSA-N 2 1 324.415 3.323 20 0 DGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)cc(F)cc1Cl ZINC001235717650 1099143258 /nfs/dbraw/zinc/14/32/58/1099143258.db2.gz XHNGYBKYYQMPAW-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)cc(F)cc1Cl ZINC001235717650 1099143262 /nfs/dbraw/zinc/14/32/62/1099143262.db2.gz XHNGYBKYYQMPAW-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(O)cc1C(F)(F)F ZINC001235717372 1099143790 /nfs/dbraw/zinc/14/37/90/1099143790.db2.gz SITZHCXXRVHENM-UHFFFAOYSA-N 2 1 316.367 3.233 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1[nH]nc2cc(Cl)ccc21 ZINC001235718036 1099144086 /nfs/dbraw/zinc/14/40/86/1099144086.db2.gz SNVGYSLSRQNPPI-UHFFFAOYSA-N 2 1 306.841 3.038 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1sccc1Br ZINC001235716729 1099144185 /nfs/dbraw/zinc/14/41/85/1099144185.db2.gz IFDHYOLTTTZJGI-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001235718996 1099145242 /nfs/dbraw/zinc/14/52/42/1099145242.db2.gz PXHJYHBZAAKAAA-RISCZKNCSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001235718996 1099145247 /nfs/dbraw/zinc/14/52/47/1099145247.db2.gz PXHJYHBZAAKAAA-RISCZKNCSA-N 2 1 302.796 3.263 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2CCCCCC[NH3+])cc1 ZINC001235725070 1099147916 /nfs/dbraw/zinc/14/79/16/1099147916.db2.gz GBSODDHBYSRJIZ-KRWDZBQOSA-N 2 1 308.491 3.304 20 0 DGADMP CC[NH2+]C1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001235726503 1099149227 /nfs/dbraw/zinc/14/92/27/1099149227.db2.gz QWFBFQNXVNEBDC-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001235727503 1099151435 /nfs/dbraw/zinc/15/14/35/1099151435.db2.gz SOJVJTLKCVHOEX-YJBOKZPZSA-N 2 1 320.502 3.175 20 0 DGADMP c1ccc(C[C@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)nc1 ZINC001235734346 1099154147 /nfs/dbraw/zinc/15/41/47/1099154147.db2.gz ARAVWSALHMJZFZ-LJQANCHMSA-N 2 1 301.478 3.401 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001235750619 1099164179 /nfs/dbraw/zinc/16/41/79/1099164179.db2.gz QBBFYISPRQZGDM-GOSISDBHSA-N 2 1 310.441 3.355 20 0 DGADMP FC(F)(F)c1ccc2c(c1)C[N@@H+](CC1(F)CC[NH2+]CC1)CC2 ZINC001235758401 1099167287 /nfs/dbraw/zinc/16/72/87/1099167287.db2.gz GAWJJQATEOUSIZ-UHFFFAOYSA-N 2 1 316.342 3.155 20 0 DGADMP FC(F)(F)c1ccc2c(c1)C[N@H+](CC1(F)CC[NH2+]CC1)CC2 ZINC001235758401 1099167292 /nfs/dbraw/zinc/16/72/92/1099167292.db2.gz GAWJJQATEOUSIZ-UHFFFAOYSA-N 2 1 316.342 3.155 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235761807 1099168902 /nfs/dbraw/zinc/16/89/02/1099168902.db2.gz QJNZXYXNERZRJG-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235761807 1099168906 /nfs/dbraw/zinc/16/89/06/1099168906.db2.gz QJNZXYXNERZRJG-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+](C)CCC[NH+](C)C ZINC001235775247 1099175651 /nfs/dbraw/zinc/17/56/51/1099175651.db2.gz IUUOMKGCUPNLFP-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+](C)CCC[NH+](C)C ZINC001235775247 1099175656 /nfs/dbraw/zinc/17/56/56/1099175656.db2.gz IUUOMKGCUPNLFP-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730301 1099186512 /nfs/dbraw/zinc/18/65/12/1099186512.db2.gz VKKWAVIPRVANDS-NUJGCVRESA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730301 1099186514 /nfs/dbraw/zinc/18/65/14/1099186514.db2.gz VKKWAVIPRVANDS-NUJGCVRESA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730303 1099186841 /nfs/dbraw/zinc/18/68/41/1099186841.db2.gz VKKWAVIPRVANDS-SOLBZPMBSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730303 1099186845 /nfs/dbraw/zinc/18/68/45/1099186845.db2.gz VKKWAVIPRVANDS-SOLBZPMBSA-N 2 1 304.478 3.036 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC=C(C)C)[C@@H]1C ZINC001179748832 1099198035 /nfs/dbraw/zinc/19/80/35/1099198035.db2.gz MAPXBSLQHCFZPZ-ROUUACIJSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839230 1099202221 /nfs/dbraw/zinc/20/22/21/1099202221.db2.gz OFMCDORCNBRQKP-WFASDCNBSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839230 1099202229 /nfs/dbraw/zinc/20/22/29/1099202229.db2.gz OFMCDORCNBRQKP-WFASDCNBSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839228 1099203209 /nfs/dbraw/zinc/20/32/09/1099203209.db2.gz OFMCDORCNBRQKP-IUODEOHRSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839228 1099203214 /nfs/dbraw/zinc/20/32/14/1099203214.db2.gz OFMCDORCNBRQKP-IUODEOHRSA-N 2 1 316.823 3.305 20 0 DGADMP CCc1sc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1Br ZINC001235841461 1099204952 /nfs/dbraw/zinc/20/49/52/1099204952.db2.gz GBKQFBFFXAPEMS-SNVBAGLBSA-N 2 1 317.296 3.114 20 0 DGADMP CCc1sc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1Br ZINC001235841461 1099204954 /nfs/dbraw/zinc/20/49/54/1099204954.db2.gz GBKQFBFFXAPEMS-SNVBAGLBSA-N 2 1 317.296 3.114 20 0 DGADMP COc1ccc(CC[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235841082 1099205032 /nfs/dbraw/zinc/20/50/32/1099205032.db2.gz VKNZZBQLWUZPIX-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001179814534 1099210827 /nfs/dbraw/zinc/21/08/27/1099210827.db2.gz AIRPHWLRMAOUKQ-APHBMKBZSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001179814534 1099210834 /nfs/dbraw/zinc/21/08/34/1099210834.db2.gz AIRPHWLRMAOUKQ-APHBMKBZSA-N 2 1 308.853 3.169 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235867272 1099228050 /nfs/dbraw/zinc/22/80/50/1099228050.db2.gz NFGBDDXJCHMKTN-UYAOXDASSA-N 2 1 313.489 3.251 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891351 1099236859 /nfs/dbraw/zinc/23/68/59/1099236859.db2.gz FYWKHAWTNJPBPO-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891351 1099236866 /nfs/dbraw/zinc/23/68/66/1099236866.db2.gz FYWKHAWTNJPBPO-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(C)cc1Br ZINC001235925910 1099262927 /nfs/dbraw/zinc/26/29/27/1099262927.db2.gz RPDWDHRILDRGIL-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])c(C)cc1Br ZINC001235925910 1099262936 /nfs/dbraw/zinc/26/29/36/1099262936.db2.gz RPDWDHRILDRGIL-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP COc1cc(OC)c(C[N@H+]2CCC[C@H]2CC[NH3+])c2ccccc12 ZINC001235926232 1099263353 /nfs/dbraw/zinc/26/33/53/1099263353.db2.gz UUBNJUADHSBVNS-AWEZNQCLSA-N 2 1 314.429 3.170 20 0 DGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179978440 1099264921 /nfs/dbraw/zinc/26/49/21/1099264921.db2.gz AGAOVLVLNVVDMI-VTFYZGIISA-N 2 1 323.525 3.044 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235928538 1099265072 /nfs/dbraw/zinc/26/50/72/1099265072.db2.gz ABUMZMWMSUBCIJ-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235928535 1099265121 /nfs/dbraw/zinc/26/51/21/1099265121.db2.gz ABUMZMWMSUBCIJ-PMACEKPBSA-N 2 1 322.452 3.307 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235935439 1099269680 /nfs/dbraw/zinc/26/96/80/1099269680.db2.gz DPIYMJOAZDCMDX-CMPLNLGQSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235935439 1099269686 /nfs/dbraw/zinc/26/96/86/1099269686.db2.gz DPIYMJOAZDCMDX-CMPLNLGQSA-N 2 1 318.770 3.400 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235936354 1099270301 /nfs/dbraw/zinc/27/03/01/1099270301.db2.gz GQQVEPLOGAHSCO-SFTDATJTSA-N 2 1 306.453 3.319 20 0 DGADMP COc1ccc(SCC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001180002166 1099270591 /nfs/dbraw/zinc/27/05/91/1099270591.db2.gz MWIWOZGYAJGZOH-UHFFFAOYSA-N 2 1 308.491 3.061 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935766 1099271083 /nfs/dbraw/zinc/27/10/83/1099271083.db2.gz WTJDCCTXFIAWFQ-XPKDYRNWSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935766 1099271094 /nfs/dbraw/zinc/27/10/94/1099271094.db2.gz WTJDCCTXFIAWFQ-XPKDYRNWSA-N 2 1 312.379 3.106 20 0 DGADMP COCCC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CC[NH2+]CC1 ZINC001235937747 1099272175 /nfs/dbraw/zinc/27/21/75/1099272175.db2.gz QBRBEWYTWOEIKZ-UHFFFAOYSA-N 2 1 318.505 3.476 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235938603 1099273546 /nfs/dbraw/zinc/27/35/46/1099273546.db2.gz LNYOVKNTTBFBAG-DLBZAZTESA-N 2 1 310.441 3.280 20 0 DGADMP COCCC[N@H+](Cc1cccc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235939540 1099273991 /nfs/dbraw/zinc/27/39/91/1099273991.db2.gz FLNPHWJSEGTCOH-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCCC[N@@H+](Cc1cccc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235939540 1099273997 /nfs/dbraw/zinc/27/39/97/1099273997.db2.gz FLNPHWJSEGTCOH-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235939266 1099274271 /nfs/dbraw/zinc/27/42/71/1099274271.db2.gz OOKFZVVVBNPAQO-PMACEKPBSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235940272 1099274694 /nfs/dbraw/zinc/27/46/94/1099274694.db2.gz RUUADFZXYYSARF-VQTJNVASSA-N 2 1 322.452 3.404 20 0 DGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cn2)c1C ZINC001235939476 1099274906 /nfs/dbraw/zinc/27/49/06/1099274906.db2.gz PHXITXNNJDBWEV-RTBURBONSA-N 2 1 321.468 3.407 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cn2)c1C ZINC001235939459 1099275396 /nfs/dbraw/zinc/27/53/96/1099275396.db2.gz PHXITXNNJDBWEV-MOPGFXCFSA-N 2 1 321.468 3.407 20 0 DGADMP COCC[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH2+]CC1 ZINC001235942465 1099277231 /nfs/dbraw/zinc/27/72/31/1099277231.db2.gz DINAVVHCLMCHPP-UHFFFAOYSA-N 2 1 302.462 3.155 20 0 DGADMP c1ccc([C@@H]2CC[N@@H+]2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235949242 1099282832 /nfs/dbraw/zinc/28/28/32/1099282832.db2.gz AHYVUMDKIZUTIJ-FQEVSTJZSA-N 2 1 307.441 3.043 20 0 DGADMP C[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@H]1CCC[NH2+]C1 ZINC001235956450 1099287633 /nfs/dbraw/zinc/28/76/33/1099287633.db2.gz DDOAEIITQMZPCE-LBPRGKRZSA-N 2 1 319.836 3.025 20 0 DGADMP C[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@H]1CCC[NH2+]C1 ZINC001235956450 1099287641 /nfs/dbraw/zinc/28/76/41/1099287641.db2.gz DDOAEIITQMZPCE-LBPRGKRZSA-N 2 1 319.836 3.025 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235962685 1099294192 /nfs/dbraw/zinc/29/41/92/1099294192.db2.gz OZPBDYFQWOSKOI-BBRMVZONSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235962685 1099294197 /nfs/dbraw/zinc/29/41/97/1099294197.db2.gz OZPBDYFQWOSKOI-BBRMVZONSA-N 2 1 312.404 3.008 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235960640 1099294373 /nfs/dbraw/zinc/29/43/73/1099294373.db2.gz VQHZRSMDXSJLHS-LJQANCHMSA-N 2 1 324.472 3.074 20 0 DGADMP COc1ccccc1[C@H](C)[N@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963517 1099296571 /nfs/dbraw/zinc/29/65/71/1099296571.db2.gz WEWPZEMQACZPKB-IPYPFGDCSA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963517 1099296580 /nfs/dbraw/zinc/29/65/80/1099296580.db2.gz WEWPZEMQACZPKB-IPYPFGDCSA-N 2 1 312.404 3.179 20 0 DGADMP CC1(C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235969641 1099298689 /nfs/dbraw/zinc/29/86/89/1099298689.db2.gz SOBJOAOJACTRSO-GOSISDBHSA-N 2 1 322.880 3.277 20 0 DGADMP Fc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235974417 1099303747 /nfs/dbraw/zinc/30/37/47/1099303747.db2.gz LWYSXRAXYLIZHF-UHFFFAOYSA-N 2 1 310.416 3.463 20 0 DGADMP S=C1C=COC1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977557 1099306747 /nfs/dbraw/zinc/30/67/47/1099306747.db2.gz MGQIHFUDQGOVBV-UHFFFAOYSA-N 2 1 314.454 3.205 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cn(C)nc1C1CCCC1 ZINC001180099355 1099313807 /nfs/dbraw/zinc/31/38/07/1099313807.db2.gz YFRCQBQYCQJOGI-GOSISDBHSA-N 2 1 318.509 3.384 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235989274 1099313648 /nfs/dbraw/zinc/31/36/48/1099313648.db2.gz IULCPWRPAKHJRO-MGPUTAFESA-N 2 1 305.425 3.255 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235989274 1099313656 /nfs/dbraw/zinc/31/36/56/1099313656.db2.gz IULCPWRPAKHJRO-MGPUTAFESA-N 2 1 305.425 3.255 20 0 DGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997491 1099320920 /nfs/dbraw/zinc/32/09/20/1099320920.db2.gz YPQAKHOHRPSCAW-NHCUHLMSSA-N 2 1 306.453 3.395 20 0 DGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997491 1099320929 /nfs/dbraw/zinc/32/09/29/1099320929.db2.gz YPQAKHOHRPSCAW-NHCUHLMSSA-N 2 1 306.453 3.395 20 0 DGADMP Cc1cccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236007122 1099328265 /nfs/dbraw/zinc/32/82/65/1099328265.db2.gz UERDBSQDPBNPQW-RTWAWAEBSA-N 2 1 306.453 3.011 20 0 DGADMP CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236007363 1099329436 /nfs/dbraw/zinc/32/94/36/1099329436.db2.gz YTWUORXYVHZRGY-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236012764 1099336872 /nfs/dbraw/zinc/33/68/72/1099336872.db2.gz QDNYWFHFNJAAME-RTWAWAEBSA-N 2 1 306.453 3.276 20 0 DGADMP COc1cccc(CCC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001236040533 1099344145 /nfs/dbraw/zinc/34/41/45/1099344145.db2.gz FGXJGFKUUNROOE-UHFFFAOYSA-N 2 1 324.468 3.406 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044409 1099344662 /nfs/dbraw/zinc/34/46/62/1099344662.db2.gz LSSPCVHPJQTJKN-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044409 1099344676 /nfs/dbraw/zinc/34/46/76/1099344676.db2.gz LSSPCVHPJQTJKN-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236058718 1099357286 /nfs/dbraw/zinc/35/72/86/1099357286.db2.gz ALUDPRACAHUFIA-KBRIMQKVSA-N 2 1 308.416 3.487 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236058718 1099357297 /nfs/dbraw/zinc/35/72/97/1099357297.db2.gz ALUDPRACAHUFIA-KBRIMQKVSA-N 2 1 308.416 3.487 20 0 DGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236070719 1099369861 /nfs/dbraw/zinc/36/98/61/1099369861.db2.gz AWGMICGJJXNCQY-KRWDZBQOSA-N 2 1 321.468 3.043 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236092037 1099380916 /nfs/dbraw/zinc/38/09/16/1099380916.db2.gz DZABZWVIMWWNPW-MOPGFXCFSA-N 2 1 316.489 3.339 20 0 DGADMP [NH3+]CCCCCC[NH+]1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001236092321 1099381200 /nfs/dbraw/zinc/38/12/00/1099381200.db2.gz JHMDUIPVLADEJY-FQEVSTJZSA-N 2 1 315.505 3.201 20 0 DGADMP CC[C@H]([NH3+])C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC001236094114 1099382205 /nfs/dbraw/zinc/38/22/05/1099382205.db2.gz OHKGBNGZASZEAF-HNNXBMFYSA-N 2 1 311.267 3.366 20 0 DGADMP CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc(OC)cc1 ZINC001236100744 1099388818 /nfs/dbraw/zinc/38/88/18/1099388818.db2.gz GVYGYKBAXPNSKB-UHFFFAOYSA-N 2 1 316.470 3.425 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001236099557 1099389337 /nfs/dbraw/zinc/38/93/37/1099389337.db2.gz ZZPIVOUACOMUKP-SFHVURJKSA-N 2 1 308.425 3.288 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236100900 1099389646 /nfs/dbraw/zinc/38/96/46/1099389646.db2.gz KEHIHGQKFKIFIL-XJKSGUPXSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236100900 1099389659 /nfs/dbraw/zinc/38/96/59/1099389659.db2.gz KEHIHGQKFKIFIL-XJKSGUPXSA-N 2 1 312.404 3.008 20 0 DGADMP COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H](C)[NH3+])cc1 ZINC001236106180 1099395191 /nfs/dbraw/zinc/39/51/91/1099395191.db2.gz BJOQTNVVNBMCEM-IAGOWNOFSA-N 2 1 312.457 3.476 20 0 DGADMP CCC[N@H+](Cc1ccc(OC)cc1OCC)C1CC[NH2+]CC1 ZINC001236182982 1099453242 /nfs/dbraw/zinc/45/32/42/1099453242.db2.gz BGLAUMAMDGWVLW-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC)cc1OCC)C1CC[NH2+]CC1 ZINC001236182982 1099453248 /nfs/dbraw/zinc/45/32/48/1099453248.db2.gz BGLAUMAMDGWVLW-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213253 1099468272 /nfs/dbraw/zinc/46/82/72/1099468272.db2.gz AQTXIUUAQZUROV-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213253 1099468278 /nfs/dbraw/zinc/46/82/78/1099468278.db2.gz AQTXIUUAQZUROV-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217194 1099473526 /nfs/dbraw/zinc/47/35/26/1099473526.db2.gz OCDSHMAIGUIUOS-IAGOWNOFSA-N 2 1 305.441 3.128 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217194 1099473531 /nfs/dbraw/zinc/47/35/31/1099473531.db2.gz OCDSHMAIGUIUOS-IAGOWNOFSA-N 2 1 305.441 3.128 20 0 DGADMP CC(C)[PH+](CCNC(=O)C[N@@H+](C)C1CCCC1)C(C)C ZINC001180630078 1099478498 /nfs/dbraw/zinc/47/84/98/1099478498.db2.gz DBQWUQRQDFUXCE-UHFFFAOYSA-N 2 1 300.427 3.276 20 0 DGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236220924 1099480333 /nfs/dbraw/zinc/48/03/33/1099480333.db2.gz AECDXDJPMICSDU-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@@H+](Cc1ccccc1OC(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236220924 1099480335 /nfs/dbraw/zinc/48/03/35/1099480335.db2.gz AECDXDJPMICSDU-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(C[NH3+])c1 ZINC001236253628 1099501903 /nfs/dbraw/zinc/50/19/03/1099501903.db2.gz RKDCHWJSHLVOHE-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001236253628 1099501913 /nfs/dbraw/zinc/50/19/13/1099501913.db2.gz RKDCHWJSHLVOHE-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001236253628 1099501925 /nfs/dbraw/zinc/50/19/25/1099501925.db2.gz RKDCHWJSHLVOHE-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP C[C@@H](O)C[N@@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001180769303 1099504811 /nfs/dbraw/zinc/50/48/11/1099504811.db2.gz YHYXKMAREUUPHQ-XLIONFOSSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H]1C ZINC001180802479 1099510405 /nfs/dbraw/zinc/51/04/05/1099510405.db2.gz RGFXDGCSGYDXRO-YKCBXCCJSA-N 2 1 316.489 3.168 20 0 DGADMP FC1(C[N@@H+](Cc2ccccc2)C2CCSCC2)CC[NH2+]CC1 ZINC001236270121 1099511579 /nfs/dbraw/zinc/51/15/79/1099511579.db2.gz QGIRNAZFMVMIMY-UHFFFAOYSA-N 2 1 322.493 3.476 20 0 DGADMP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314654 1099529028 /nfs/dbraw/zinc/52/90/28/1099529028.db2.gz QWROQWUISGYNGL-UIBIWLFHSA-N 2 1 304.865 3.375 20 0 DGADMP Fc1cc(Cl)cc(F)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315652 1099530064 /nfs/dbraw/zinc/53/00/64/1099530064.db2.gz MDVPOORGLSPGJY-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Clc1cccc2[nH]c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc21 ZINC001236315535 1099530284 /nfs/dbraw/zinc/53/02/84/1099530284.db2.gz KLOAKDPFVQVUJE-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP Fc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314997 1099530910 /nfs/dbraw/zinc/53/09/10/1099530910.db2.gz JFYQAPGIDXBDOK-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2O1 ZINC001236319890 1099533370 /nfs/dbraw/zinc/53/33/70/1099533370.db2.gz GVHAEFJZTWEESR-HDICACEKSA-N 2 1 314.473 3.222 20 0 DGADMP Clc1nccc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc21 ZINC001236320745 1099533563 /nfs/dbraw/zinc/53/35/63/1099533563.db2.gz DFJYUWCCAJDUFH-IYBDPMFKSA-N 2 1 315.848 3.320 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001236320550 1099533627 /nfs/dbraw/zinc/53/36/27/1099533627.db2.gz IPNURBKDNYJONE-BGYRXZFFSA-N 2 1 321.468 3.488 20 0 DGADMP Clc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cnc2ccccc12 ZINC001236320489 1099534393 /nfs/dbraw/zinc/53/43/93/1099534393.db2.gz DEPMAAHWUJCOKO-OKILXGFUSA-N 2 1 315.848 3.320 20 0 DGADMP c1ccc(-c2cncc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001236322412 1099536323 /nfs/dbraw/zinc/53/63/23/1099536323.db2.gz VZSSNLGJRSPSMA-KDURUIRLSA-N 2 1 307.441 3.180 20 0 DGADMP C(C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C[NH+]1CCCCC1 ZINC001236372310 1099557034 /nfs/dbraw/zinc/55/70/34/1099557034.db2.gz CLLGASOGNGXFNR-SFHVURJKSA-N 3 1 307.526 3.107 20 0 DGADMP C(C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C[NH+]1CCCCC1 ZINC001236372310 1099557045 /nfs/dbraw/zinc/55/70/45/1099557045.db2.gz CLLGASOGNGXFNR-SFHVURJKSA-N 3 1 307.526 3.107 20 0 DGADMP Oc1cc(F)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375897 1099564396 /nfs/dbraw/zinc/56/43/96/1099564396.db2.gz NRXBXRVKUSYBQI-CQSZACIVSA-N 2 1 306.425 3.276 20 0 DGADMP c1[nH]nc2cc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)ccc12 ZINC001236376242 1099564869 /nfs/dbraw/zinc/56/48/69/1099564869.db2.gz PKZAQRXPYRQSFQ-MRXNPFEDSA-N 2 1 312.461 3.307 20 0 DGADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cnc1C ZINC001236376266 1099565610 /nfs/dbraw/zinc/56/56/10/1099565610.db2.gz PWTKBCAWVGCLOQ-KRWDZBQOSA-N 2 1 301.478 3.443 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400534 1099576379 /nfs/dbraw/zinc/57/63/79/1099576379.db2.gz FIMIOEMSYKHSRI-UHFFFAOYSA-N 2 1 320.452 3.385 20 0 DGADMP CCC(=O)C(C)(C)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400534 1099576388 /nfs/dbraw/zinc/57/63/88/1099576388.db2.gz FIMIOEMSYKHSRI-UHFFFAOYSA-N 2 1 320.452 3.385 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236407298 1099579037 /nfs/dbraw/zinc/57/90/37/1099579037.db2.gz CVMHUPMOFYWKAV-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@@H+](CCCCCCCCCC(=O)OC)C[C@@H]1CC[NH2+]C1 ZINC001236407074 1099579636 /nfs/dbraw/zinc/57/96/36/1099579636.db2.gz BEFVXQLRTLDXNW-QGZVFWFLSA-N 2 1 312.498 3.212 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410288 1099583438 /nfs/dbraw/zinc/58/34/38/1099583438.db2.gz YEYNUPKFECNFRA-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236410315 1099583762 /nfs/dbraw/zinc/58/37/62/1099583762.db2.gz YPDXSDGYXHHIIH-JTQLQIEISA-N 2 1 322.321 3.415 20 0 DGADMP CC[N@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236410315 1099583773 /nfs/dbraw/zinc/58/37/73/1099583773.db2.gz YPDXSDGYXHHIIH-JTQLQIEISA-N 2 1 322.321 3.415 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)c1 ZINC001236410653 1099584326 /nfs/dbraw/zinc/58/43/26/1099584326.db2.gz ICRWLBFYDYCEFC-GOSISDBHSA-N 2 1 314.473 3.264 20 0 DGADMP CC(C)c1cc(Br)ccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412609 1099586480 /nfs/dbraw/zinc/58/64/80/1099586480.db2.gz LCPUDIDFVQLMRS-ZSHCYNCHSA-N 2 1 323.278 3.222 20 0 DGADMP CC(C)c1cc(Br)ccc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412609 1099586488 /nfs/dbraw/zinc/58/64/88/1099586488.db2.gz LCPUDIDFVQLMRS-ZSHCYNCHSA-N 2 1 323.278 3.222 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001236413154 1099588370 /nfs/dbraw/zinc/58/83/70/1099588370.db2.gz FBBZVWHEDZRSIA-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001236413154 1099588378 /nfs/dbraw/zinc/58/83/78/1099588378.db2.gz FBBZVWHEDZRSIA-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[N@H+](Cc1cccc(-c2ccc(F)cc2F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417922 1099593033 /nfs/dbraw/zinc/59/30/33/1099593033.db2.gz ZCGITTAUVKTEPB-DZFIZOCASA-N 2 1 314.379 3.281 20 0 DGADMP C[N@@H+](Cc1cccc(-c2ccc(F)cc2F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417922 1099593045 /nfs/dbraw/zinc/59/30/45/1099593045.db2.gz ZCGITTAUVKTEPB-DZFIZOCASA-N 2 1 314.379 3.281 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCOC[C@@H]1C1CCCCC1)C[NH2+]CC2 ZINC001236434720 1099610824 /nfs/dbraw/zinc/61/08/24/1099610824.db2.gz UZJXJCFMDKVIOZ-HXUWFJFHSA-N 2 1 314.473 3.113 20 0 DGADMP CC(C)(C)C[N@@H+](CCc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC001236457423 1099620538 /nfs/dbraw/zinc/62/05/38/1099620538.db2.gz KMTRBTFYUMULBH-UHFFFAOYSA-N 2 1 316.489 3.264 20 0 DGADMP COc1ccc(OC)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458735 1099623294 /nfs/dbraw/zinc/62/32/94/1099623294.db2.gz XBONWCSFVUBFIM-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458735 1099623305 /nfs/dbraw/zinc/62/33/05/1099623305.db2.gz XBONWCSFVUBFIM-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC001236460365 1099625300 /nfs/dbraw/zinc/62/53/00/1099625300.db2.gz PLVHAKQJWOOIOS-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP CCOCC[N@H+](Cc1cccc(Cl)c1C)C1CC[NH2+]CC1 ZINC001236465717 1099626889 /nfs/dbraw/zinc/62/68/89/1099626889.db2.gz RLXDRGSCHFRFLB-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCOCC[N@@H+](Cc1cccc(Cl)c1C)C1CC[NH2+]CC1 ZINC001236465717 1099626896 /nfs/dbraw/zinc/62/68/96/1099626896.db2.gz RLXDRGSCHFRFLB-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCN1CCc2ccc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236470918 1099629497 /nfs/dbraw/zinc/62/94/97/1099629497.db2.gz HUXIZKQNBCDURG-GOSISDBHSA-N 2 1 301.478 3.031 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236470918 1099629500 /nfs/dbraw/zinc/62/95/00/1099629500.db2.gz HUXIZKQNBCDURG-GOSISDBHSA-N 2 1 301.478 3.031 20 0 DGADMP Cc1cc(F)ccc1C[N@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236515812 1099654086 /nfs/dbraw/zinc/65/40/86/1099654086.db2.gz AMQNHMLMPWBECH-IBGZPJMESA-N 2 1 320.452 3.257 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236515812 1099654091 /nfs/dbraw/zinc/65/40/91/1099654091.db2.gz AMQNHMLMPWBECH-IBGZPJMESA-N 2 1 320.452 3.257 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)C[C@H]2CCCCO2)CC1 ZINC001236534191 1099669416 /nfs/dbraw/zinc/66/94/16/1099669416.db2.gz RHWKEQLWWVQNAU-KZNAEPCWSA-N 2 1 320.452 3.467 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001236537587 1099670963 /nfs/dbraw/zinc/67/09/63/1099670963.db2.gz YHFWONZQLYMVHW-IBGZPJMESA-N 2 1 323.440 3.037 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2ccc(F)c(F)c2)CC2CC2)CC1 ZINC001236553377 1099677029 /nfs/dbraw/zinc/67/70/29/1099677029.db2.gz YAJDMULLVHUOGU-WKILWMFISA-N 2 1 308.416 3.489 20 0 DGADMP Cc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554759 1099677940 /nfs/dbraw/zinc/67/79/40/1099677940.db2.gz UPDQBHMDIPWELA-MISYRCLQSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1ccccc1C[N@@H+](Cc1cccnc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557503 1099679151 /nfs/dbraw/zinc/67/91/51/1099679151.db2.gz OSNWNZDNBKDMKP-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP COc1cc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236565906 1099681175 /nfs/dbraw/zinc/68/11/75/1099681175.db2.gz ROYPHKJBOIPXTJ-SAABIXHNSA-N 2 1 317.477 3.495 20 0 DGADMP Nc1cc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236567949 1099681886 /nfs/dbraw/zinc/68/18/86/1099681886.db2.gz RDZKBMVSGKODJI-JCNLHEQBSA-N 2 1 302.466 3.068 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001236606394 1099701493 /nfs/dbraw/zinc/70/14/93/1099701493.db2.gz UKTNXEJSASANLB-CRAIPNDOSA-N 2 1 320.502 3.175 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc2)CC1 ZINC001236681140 1099738794 /nfs/dbraw/zinc/73/87/94/1099738794.db2.gz CFQWDCIHEYBYSG-IHPCNDPISA-N 3 1 315.505 3.148 20 0 DGADMP Cc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726626 1099761526 /nfs/dbraw/zinc/76/15/26/1099761526.db2.gz LJRDULOFYNMPAT-VAMGGRTRSA-N 3 1 315.505 3.067 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc3occc31)CC2 ZINC001236736467 1099763397 /nfs/dbraw/zinc/76/33/97/1099763397.db2.gz DBCCCPRMFYNTJN-UHFFFAOYSA-N 2 1 313.401 3.063 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236741312 1099767502 /nfs/dbraw/zinc/76/75/02/1099767502.db2.gz DWVAMDJIAPAHCV-FHWLQOOXSA-N 3 1 319.468 3.040 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236741312 1099767510 /nfs/dbraw/zinc/76/75/10/1099767510.db2.gz DWVAMDJIAPAHCV-FHWLQOOXSA-N 3 1 319.468 3.040 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)CC2CC[NH2+]CC2)CC1 ZINC001236755191 1099772329 /nfs/dbraw/zinc/77/23/29/1099772329.db2.gz LMWFPAOYZYPJRN-WGSAOQKQSA-N 3 1 307.526 3.138 20 0 DGADMP Nc1cc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236758840 1099772783 /nfs/dbraw/zinc/77/27/83/1099772783.db2.gz MITXFUQDDUHYOE-IYARVYRRSA-N 2 1 316.493 3.316 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]12 ZINC001236818514 1099805672 /nfs/dbraw/zinc/80/56/72/1099805672.db2.gz JQZVSVDTDMVFKM-IIAWOOMASA-N 2 1 312.379 3.307 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]12 ZINC001236826696 1099811352 /nfs/dbraw/zinc/81/13/52/1099811352.db2.gz CURMOLIHKBLEOE-IACUBPJLSA-N 2 1 316.392 3.468 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]12 ZINC001236826702 1099811989 /nfs/dbraw/zinc/81/19/89/1099811989.db2.gz CURMOLIHKBLEOE-MRVWCRGKSA-N 2 1 316.392 3.468 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835335 1099821253 /nfs/dbraw/zinc/82/12/53/1099821253.db2.gz LMSCVTPZEWZLHX-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+](Cc1ccc2sc(C)nc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236845079 1099828764 /nfs/dbraw/zinc/82/87/64/1099828764.db2.gz YQJDDWGJQODOKZ-OAHLLOKOSA-N 2 1 303.475 3.426 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)c1 ZINC001236951055 1099889361 /nfs/dbraw/zinc/88/93/61/1099889361.db2.gz TVRPTJKYZIXSKK-GOSISDBHSA-N 2 1 318.436 3.059 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(F)c(N3CCN(C)CC3)c2)CC1 ZINC001236960174 1099891271 /nfs/dbraw/zinc/89/12/71/1099891271.db2.gz ORYRTXXZTUVHOI-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236960174 1099891279 /nfs/dbraw/zinc/89/12/79/1099891279.db2.gz ORYRTXXZTUVHOI-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236960174 1099891287 /nfs/dbraw/zinc/89/12/87/1099891287.db2.gz ORYRTXXZTUVHOI-INIZCTEOSA-N 2 1 319.468 3.200 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC1CCCC1 ZINC001236974684 1099897688 /nfs/dbraw/zinc/89/76/88/1099897688.db2.gz VFUANEDBGYGXMX-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC1CCCC1 ZINC001236974684 1099897695 /nfs/dbraw/zinc/89/76/95/1099897695.db2.gz VFUANEDBGYGXMX-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC001278049744 1099957419 /nfs/dbraw/zinc/95/74/19/1099957419.db2.gz PNICWHQSHJMRQJ-QRVBRYPASA-N 2 1 309.542 3.303 20 0 DGADMP COc1cccc2c(C[N@H+](C)CCC[NH+]3CCCC3)ccnc12 ZINC001237111098 1099977524 /nfs/dbraw/zinc/97/75/24/1099977524.db2.gz WMFTXASYYXAYNT-UHFFFAOYSA-N 2 1 313.445 3.161 20 0 DGADMP COc1cccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)ccnc12 ZINC001237111098 1099977533 /nfs/dbraw/zinc/97/75/33/1099977533.db2.gz WMFTXASYYXAYNT-UHFFFAOYSA-N 2 1 313.445 3.161 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC001278055890 1099981370 /nfs/dbraw/zinc/98/13/70/1099981370.db2.gz NKRZDXZUGJPICX-SLFFLAALSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237143819 1099993645 /nfs/dbraw/zinc/99/36/45/1099993645.db2.gz SHLAMDNBEVOOCG-NRFANRHFSA-N 2 1 322.452 3.226 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237157138 1100006545 /nfs/dbraw/zinc/00/65/45/1100006545.db2.gz ZCACZDRKQOLVGM-HXUWFJFHSA-N 2 1 324.472 3.287 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CCCCC3)cc(N2CC[NH2+]CC2)c1 ZINC001237205812 1100031702 /nfs/dbraw/zinc/03/17/02/1100031702.db2.gz XWKSVNWZBAGOSK-UHFFFAOYSA-N 2 1 313.489 3.252 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001237220597 1100036067 /nfs/dbraw/zinc/03/60/67/1100036067.db2.gz SMLFVQQGEUFESR-VQTJNVASSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001237220597 1100036083 /nfs/dbraw/zinc/03/60/83/1100036083.db2.gz SMLFVQQGEUFESR-VQTJNVASSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001237220597 1100036089 /nfs/dbraw/zinc/03/60/89/1100036089.db2.gz SMLFVQQGEUFESR-VQTJNVASSA-N 2 1 321.468 3.223 20 0 DGADMP COc1nc(Cl)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001237250144 1100047984 /nfs/dbraw/zinc/04/79/84/1100047984.db2.gz XOQLLWRNWRUZGW-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP [NH3+]CCCCCC[NH+]1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001237263631 1100049717 /nfs/dbraw/zinc/04/97/17/1100049717.db2.gz DKWAXWYIXVUASH-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(OC(C)C)ncc3F)(C1)CCC2 ZINC001278073693 1100049856 /nfs/dbraw/zinc/04/98/56/1100049856.db2.gz FGNVDFBBOKKPOB-ZWKOTPCHSA-N 2 1 321.440 3.162 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4nccc(Cl)c4c3)C[C@@H]2C1 ZINC001237267867 1100051609 /nfs/dbraw/zinc/05/16/09/1100051609.db2.gz MMFNXOVZDWOGLJ-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4nccc(Cl)c4c3)C[C@@H]2C1 ZINC001237267867 1100051617 /nfs/dbraw/zinc/05/16/17/1100051617.db2.gz MMFNXOVZDWOGLJ-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)F)c(OC)c3)C[C@H]2C1 ZINC001237282110 1100058147 /nfs/dbraw/zinc/05/81/47/1100058147.db2.gz LEIORGOOFWNXAU-GASCZTMLSA-N 2 1 324.415 3.406 20 0 DGADMP c1ccc(COCC[NH+]2CCC3(CC2)NCc2ccccc23)cc1 ZINC001237359065 1100093413 /nfs/dbraw/zinc/09/34/13/1100093413.db2.gz MSFWQVWNBBWLRJ-UHFFFAOYSA-N 2 1 322.452 3.298 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)c1C ZINC001237390484 1100105515 /nfs/dbraw/zinc/10/55/15/1100105515.db2.gz IRUCJSJHTSVVDJ-SJLPKXTDSA-N 2 1 302.462 3.194 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237388154 1100105605 /nfs/dbraw/zinc/10/56/05/1100105605.db2.gz CKMPLIBONQCGCP-IEBWSBKVSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237388154 1100105610 /nfs/dbraw/zinc/10/56/10/1100105610.db2.gz CKMPLIBONQCGCP-IEBWSBKVSA-N 2 1 302.462 3.295 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237401237 1100110936 /nfs/dbraw/zinc/11/09/36/1100110936.db2.gz CHRASXFWYPVMJT-FPOVZHCZSA-N 2 1 323.484 3.480 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2)n1 ZINC001237403510 1100112093 /nfs/dbraw/zinc/11/20/93/1100112093.db2.gz KWWNGFPGDHQPJG-IRXDYDNUSA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2)n1 ZINC001237403510 1100112096 /nfs/dbraw/zinc/11/20/96/1100112096.db2.gz KWWNGFPGDHQPJG-IRXDYDNUSA-N 2 1 313.470 3.384 20 0 DGADMP CC(=O)Nc1ccccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001237408800 1100116243 /nfs/dbraw/zinc/11/62/43/1100116243.db2.gz BPIIVOHAUHKABM-UHFFFAOYSA-N 2 1 317.477 3.197 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001237458908 1100130427 /nfs/dbraw/zinc/13/04/27/1100130427.db2.gz QTFJPJIYFWJRTE-VQTJNVASSA-N 2 1 315.505 3.020 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001237584046 1100179110 /nfs/dbraw/zinc/17/91/10/1100179110.db2.gz GJFZWJQAORHMCE-UHFFFAOYSA-N 2 1 318.852 3.199 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001237584046 1100179115 /nfs/dbraw/zinc/17/91/15/1100179115.db2.gz GJFZWJQAORHMCE-UHFFFAOYSA-N 2 1 318.852 3.199 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC001237631911 1100196133 /nfs/dbraw/zinc/19/61/33/1100196133.db2.gz GKXSVWQGCFTXAD-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H](C)[N@@H+](C)C[C@H]3C)cc21 ZINC001237877305 1100277975 /nfs/dbraw/zinc/27/79/75/1100277975.db2.gz LIWKDQADQYKISB-JKSUJKDBSA-N 2 1 313.489 3.212 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@@H]3CCCOC3)cc21 ZINC001237879292 1100278455 /nfs/dbraw/zinc/27/84/55/1100278455.db2.gz KXCKCHMPFQYKHU-QGZVFWFLSA-N 2 1 300.446 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@H]3CC[C@H](O)CC3)cc21 ZINC001237880631 1100278482 /nfs/dbraw/zinc/27/84/82/1100278482.db2.gz HRNMBWKZDBTRFI-IYARVYRRSA-N 2 1 314.473 3.423 20 0 DGADMP Cc1ccc2c(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)cccc2n1 ZINC001278174193 1100319889 /nfs/dbraw/zinc/31/98/89/1100319889.db2.gz YBVUEKATVJXYNP-CALCHBBNSA-N 2 1 309.457 3.317 20 0 DGADMP Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cccc2n1 ZINC001278174193 1100319896 /nfs/dbraw/zinc/31/98/96/1100319896.db2.gz YBVUEKATVJXYNP-CALCHBBNSA-N 2 1 309.457 3.317 20 0 DGADMP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cccc2n1 ZINC001278174193 1100319905 /nfs/dbraw/zinc/31/99/05/1100319905.db2.gz YBVUEKATVJXYNP-CALCHBBNSA-N 2 1 309.457 3.317 20 0 DGADMP C[N@@H+](Cc1cncc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC001238009761 1100325408 /nfs/dbraw/zinc/32/54/08/1100325408.db2.gz UVMKULLSDCUCAO-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP C[N@H+](Cc1cncc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC001238009761 1100325413 /nfs/dbraw/zinc/32/54/13/1100325413.db2.gz UVMKULLSDCUCAO-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(O)ccc2C)CC1 ZINC001238091073 1100356998 /nfs/dbraw/zinc/35/69/98/1100356998.db2.gz AUJFGNOQOBPNQX-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC001205545734 1100370185 /nfs/dbraw/zinc/37/01/85/1100370185.db2.gz MTILUIQVKQZJIX-GFCCVEGCSA-N 2 1 321.259 3.164 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCF ZINC001278205458 1100400578 /nfs/dbraw/zinc/40/05/78/1100400578.db2.gz MYYDXPDNTXPVLY-GOOCMWNKSA-N 2 1 311.470 3.286 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCF ZINC001278205458 1100400580 /nfs/dbraw/zinc/40/05/80/1100400580.db2.gz MYYDXPDNTXPVLY-GOOCMWNKSA-N 2 1 311.470 3.286 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001205558578 1100410730 /nfs/dbraw/zinc/41/07/30/1100410730.db2.gz HDBNICUMIDVUEK-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238699630 1100504405 /nfs/dbraw/zinc/50/44/05/1100504405.db2.gz MVLBJLBKBYJSEN-UHFFFAOYSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)cn1 ZINC001238725823 1100513170 /nfs/dbraw/zinc/51/31/70/1100513170.db2.gz QMFYFPGNXYZXIN-UHFFFAOYSA-N 2 1 323.456 3.172 20 0 DGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)cn1 ZINC001238725823 1100513173 /nfs/dbraw/zinc/51/31/73/1100513173.db2.gz QMFYFPGNXYZXIN-UHFFFAOYSA-N 2 1 323.456 3.172 20 0 DGADMP Cc1[nH+]ccn1-c1cc(-c2ccc(C[NH+]3CCCC3)cc2)ncn1 ZINC001240049729 1100845113 /nfs/dbraw/zinc/84/51/13/1100845113.db2.gz LDPDJLKAGTVBBU-UHFFFAOYSA-N 2 1 319.412 3.234 20 0 DGADMP FC(F)(F)c1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccn1 ZINC001240339310 1100948437 /nfs/dbraw/zinc/94/84/37/1100948437.db2.gz UULMLLQUGPKHTB-UHFFFAOYSA-N 2 1 318.302 3.102 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001195248536 1101104632 /nfs/dbraw/zinc/10/46/32/1101104632.db2.gz ASSLFFHONMDOJL-JKSUJKDBSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001195248536 1101104640 /nfs/dbraw/zinc/10/46/40/1101104640.db2.gz ASSLFFHONMDOJL-JKSUJKDBSA-N 2 1 312.498 3.018 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001195499953 1101150751 /nfs/dbraw/zinc/15/07/51/1101150751.db2.gz YXPVZSUYTSRJKB-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001195499953 1101150754 /nfs/dbraw/zinc/15/07/54/1101150754.db2.gz YXPVZSUYTSRJKB-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001195499953 1101150755 /nfs/dbraw/zinc/15/07/55/1101150755.db2.gz YXPVZSUYTSRJKB-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203308797 1101468251 /nfs/dbraw/zinc/46/82/51/1101468251.db2.gz DKOKSQCBYZTDTG-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203308797 1101468255 /nfs/dbraw/zinc/46/82/55/1101468255.db2.gz DKOKSQCBYZTDTG-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203308797 1101468259 /nfs/dbraw/zinc/46/82/59/1101468259.db2.gz DKOKSQCBYZTDTG-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203308797 1101468264 /nfs/dbraw/zinc/46/82/64/1101468264.db2.gz DKOKSQCBYZTDTG-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203308797 1101468268 /nfs/dbraw/zinc/46/82/68/1101468268.db2.gz DKOKSQCBYZTDTG-VQTJNVASSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC=C(c3cnc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001241505442 1101518759 /nfs/dbraw/zinc/51/87/59/1101518759.db2.gz UAYOPCCAAAMTQZ-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1COC2(CCCCC2)O1 ZINC001197283538 1101529754 /nfs/dbraw/zinc/52/97/54/1101529754.db2.gz CJILQRAGZILTPT-SFHVURJKSA-N 2 1 324.509 3.260 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc4nc[nH]c4c3)c2)CC1 ZINC001241703805 1101648000 /nfs/dbraw/zinc/64/80/00/1101648000.db2.gz XJSSDCCFYPKWCY-UHFFFAOYSA-N 2 1 320.440 3.401 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197930608 1101704676 /nfs/dbraw/zinc/70/46/76/1101704676.db2.gz RKLAJFXQMFJCPB-LMMKCTJWSA-N 2 1 317.477 3.187 20 0 DGADMP [NH3+]C1(c2cccc(-c3cccc(C[NH+]4CCOCC4)c3)c2)CC1 ZINC001241818507 1101723021 /nfs/dbraw/zinc/72/30/21/1101723021.db2.gz SSOMTLNPJYJEAN-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP Cc1cc(Cl)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1F ZINC001242225786 1101996188 /nfs/dbraw/zinc/99/61/88/1101996188.db2.gz JVFRRMZHHIQPFE-UHFFFAOYSA-N 2 1 305.784 3.259 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2nsnc21 ZINC001199336177 1102118259 /nfs/dbraw/zinc/11/82/59/1102118259.db2.gz IMRRZDQPJJQJIZ-CQSZACIVSA-N 2 1 318.490 3.436 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)C(C)C ZINC001199991110 1102266858 /nfs/dbraw/zinc/26/68/58/1102266858.db2.gz RBUCXYKTVHBQLS-MJGOQNOKSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC001199991110 1102266877 /nfs/dbraw/zinc/26/68/77/1102266877.db2.gz RBUCXYKTVHBQLS-MJGOQNOKSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001205902606 1102441711 /nfs/dbraw/zinc/44/17/11/1102441711.db2.gz KWFLDDBWLAQMJO-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Br)c1 ZINC001205904401 1102450051 /nfs/dbraw/zinc/45/00/51/1102450051.db2.gz UVOSGZAOEQJMBG-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Br)c1 ZINC001205904401 1102450054 /nfs/dbraw/zinc/45/00/54/1102450054.db2.gz UVOSGZAOEQJMBG-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CC(C)C)CC2 ZINC001201470097 1102603184 /nfs/dbraw/zinc/60/31/84/1102603184.db2.gz BASGISVBDIKONZ-UHFFFAOYSA-N 2 1 305.466 3.378 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)C[C@H](C)CCC=C(C)C ZINC001201489739 1102610641 /nfs/dbraw/zinc/61/06/41/1102610641.db2.gz FNOAJHZXGMBDFC-QGZVFWFLSA-N 2 1 312.498 3.186 20 0 DGADMP CCC[C@@H](C)C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201543407 1102631269 /nfs/dbraw/zinc/63/12/69/1102631269.db2.gz GGMHRXYDUSKYKX-QRQLOZEOSA-N 2 1 301.478 3.272 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3ccccc3)C2)C1 ZINC001201597551 1102648678 /nfs/dbraw/zinc/64/86/78/1102648678.db2.gz XVZBIBQHKSPJRM-FQEVSTJZSA-N 2 1 316.489 3.052 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3ccccc3)C2)C1 ZINC001201597551 1102648685 /nfs/dbraw/zinc/64/86/85/1102648685.db2.gz XVZBIBQHKSPJRM-FQEVSTJZSA-N 2 1 316.489 3.052 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001201597551 1102648693 /nfs/dbraw/zinc/64/86/93/1102648693.db2.gz XVZBIBQHKSPJRM-FQEVSTJZSA-N 2 1 316.489 3.052 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001201597551 1102648698 /nfs/dbraw/zinc/64/86/98/1102648698.db2.gz XVZBIBQHKSPJRM-FQEVSTJZSA-N 2 1 316.489 3.052 20 0 DGADMP CC[NH+](CC)Cc1ccccc1-c1cncc(-n2cc[nH+]c2C)n1 ZINC001243338165 1102669885 /nfs/dbraw/zinc/66/98/85/1102669885.db2.gz CVBUFKDJAPHWAT-UHFFFAOYSA-N 2 1 321.428 3.480 20 0 DGADMP CSCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201696708 1102692491 /nfs/dbraw/zinc/69/24/91/1102692491.db2.gz OCININYGTFPPHY-UHFFFAOYSA-N 2 1 310.482 3.475 20 0 DGADMP CSCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201696708 1102692496 /nfs/dbraw/zinc/69/24/96/1102692496.db2.gz OCININYGTFPPHY-UHFFFAOYSA-N 2 1 310.482 3.475 20 0 DGADMP CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713316 1102698487 /nfs/dbraw/zinc/69/84/87/1102698487.db2.gz BAWLFWOEZXQORH-UHOSZYNNSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713316 1102698493 /nfs/dbraw/zinc/69/84/93/1102698493.db2.gz BAWLFWOEZXQORH-UHOSZYNNSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713316 1102698501 /nfs/dbraw/zinc/69/85/01/1102698501.db2.gz BAWLFWOEZXQORH-UHOSZYNNSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201713316 1102698510 /nfs/dbraw/zinc/69/85/10/1102698510.db2.gz BAWLFWOEZXQORH-UHOSZYNNSA-N 2 1 301.478 3.414 20 0 DGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001202077555 1102838084 /nfs/dbraw/zinc/83/80/84/1102838084.db2.gz IZPPLQVZVXHKDL-LSDHHAIUSA-N 2 1 307.507 3.476 20 0 DGADMP Cc1nc(OC(C)C)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243662207 1102894051 /nfs/dbraw/zinc/89/40/51/1102894051.db2.gz RTJKJEVBSRUREZ-UHFFFAOYSA-N 2 1 322.412 3.179 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001111269289 1103150225 /nfs/dbraw/zinc/15/02/25/1103150225.db2.gz YUUVJJNOCBXIMB-KURKYZTESA-N 2 1 323.525 3.019 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198948 1103232361 /nfs/dbraw/zinc/23/23/61/1103232361.db2.gz FVDPFBQQQDJFKZ-VQTJNVASSA-N 2 1 324.472 3.194 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198948 1103232375 /nfs/dbraw/zinc/23/23/75/1103232375.db2.gz FVDPFBQQQDJFKZ-VQTJNVASSA-N 2 1 324.472 3.194 20 0 DGADMP CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001489231636 1103332658 /nfs/dbraw/zinc/33/26/58/1103332658.db2.gz BWTQTFOAXNLXHI-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[C@H](CC)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258442676 1103332775 /nfs/dbraw/zinc/33/27/75/1103332775.db2.gz HAEIYKLCWWTDMY-IBGZPJMESA-N 2 1 309.542 3.305 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2O1 ZINC001326520188 1103351823 /nfs/dbraw/zinc/35/18/23/1103351823.db2.gz YEGIDIQMXPAPAE-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000097465632 1103363536 /nfs/dbraw/zinc/36/35/36/1103363536.db2.gz WYTTYPVWQWEKLQ-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)no1 ZINC001276310897 1103477639 /nfs/dbraw/zinc/47/76/39/1103477639.db2.gz GOOHQVJBTLCDFL-UHFFFAOYSA-N 2 1 303.450 3.214 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)no1 ZINC001276310897 1103477643 /nfs/dbraw/zinc/47/76/43/1103477643.db2.gz GOOHQVJBTLCDFL-UHFFFAOYSA-N 2 1 303.450 3.214 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(-c4ccccc4)on3)C[C@H]2CC1 ZINC001276315486 1103485889 /nfs/dbraw/zinc/48/58/89/1103485889.db2.gz CFCAJYHGLXPJCY-CALCHBBNSA-N 2 1 311.429 3.115 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]2CC1 ZINC001276315486 1103485897 /nfs/dbraw/zinc/48/58/97/1103485897.db2.gz CFCAJYHGLXPJCY-CALCHBBNSA-N 2 1 311.429 3.115 20 0 DGADMP Fc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001276343358 1103515743 /nfs/dbraw/zinc/51/57/43/1103515743.db2.gz HXWDYPHNYGQMOU-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP C[NH2+]Cc1cccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)c1F ZINC001244865173 1103732125 /nfs/dbraw/zinc/73/21/25/1103732125.db2.gz PVLDSWOCXIDXGG-UHFFFAOYSA-N 2 1 302.368 3.339 20 0 DGADMP Fc1cccc2c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c[nH]c21 ZINC001137049811 1103754903 /nfs/dbraw/zinc/75/49/03/1103754903.db2.gz BOPMNCPFJQYJDT-UHFFFAOYSA-N 2 1 310.376 3.024 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001329375669 1104237649 /nfs/dbraw/zinc/23/76/49/1104237649.db2.gz MWQWZDMEXHCNPH-WBVHZDCISA-N 2 1 313.470 3.384 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001329375669 1104237654 /nfs/dbraw/zinc/23/76/54/1104237654.db2.gz MWQWZDMEXHCNPH-WBVHZDCISA-N 2 1 313.470 3.384 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc4cncn4c3)c2)CC1 ZINC001245896454 1104294601 /nfs/dbraw/zinc/29/46/01/1104294601.db2.gz AZNGFVNZAWOSFX-UHFFFAOYSA-N 2 1 320.440 3.172 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC001246074864 1104370833 /nfs/dbraw/zinc/37/08/33/1104370833.db2.gz FISWUVYFRYSQSK-KBPBESRZSA-N 2 1 315.230 3.208 20 0 DGADMP CCCC[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246002604 1104351013 /nfs/dbraw/zinc/35/10/13/1104351013.db2.gz UZEDMVJCOFHTGR-INIZCTEOSA-N 2 1 310.869 3.059 20 0 DGADMP C[C@@](O)(C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)c1ccccc1 ZINC001246029695 1104354189 /nfs/dbraw/zinc/35/41/89/1104354189.db2.gz LTXURNNWDLAMIJ-UXHICEINSA-N 2 1 316.489 3.140 20 0 DGADMP C[C@](O)(C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)c1ccccc1 ZINC001246029693 1104355858 /nfs/dbraw/zinc/35/58/58/1104355858.db2.gz LTXURNNWDLAMIJ-PMACEKPBSA-N 2 1 316.489 3.140 20 0 DGADMP Fc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246074469 1104366062 /nfs/dbraw/zinc/36/60/62/1104366062.db2.gz PPTPANBJFHMAQY-OALUTQOASA-N 2 1 316.395 3.418 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC[NH2+]1 ZINC001246091951 1104380490 /nfs/dbraw/zinc/38/04/90/1104380490.db2.gz BNLUTJCGTAXGMR-QRTARXTBSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091781 1104380733 /nfs/dbraw/zinc/38/07/33/1104380733.db2.gz HOZOHQQEHPVLIY-IZBJGVDFSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091781 1104380743 /nfs/dbraw/zinc/38/07/43/1104380743.db2.gz HOZOHQQEHPVLIY-IZBJGVDFSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091781 1104380755 /nfs/dbraw/zinc/38/07/55/1104380755.db2.gz HOZOHQQEHPVLIY-IZBJGVDFSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091781 1104380764 /nfs/dbraw/zinc/38/07/64/1104380764.db2.gz HOZOHQQEHPVLIY-IZBJGVDFSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@]2(C)CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001246096753 1104384568 /nfs/dbraw/zinc/38/45/68/1104384568.db2.gz FWPWGLJTUAWXDI-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001246096753 1104384579 /nfs/dbraw/zinc/38/45/79/1104384579.db2.gz FWPWGLJTUAWXDI-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[NH2+][C@H]3C[NH2+]C[C@@H]3C)ccc2c1 ZINC001246107330 1104388318 /nfs/dbraw/zinc/38/83/18/1104388318.db2.gz HNOQMYTZPMZWCC-MDOVXXIYSA-N 2 1 312.457 3.367 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)n2C)CC[NH2+]1 ZINC001246118326 1104394070 /nfs/dbraw/zinc/39/40/70/1104394070.db2.gz GHMOKSROTACQOQ-CHWSQXEVSA-N 2 1 317.399 3.444 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1C[NH2+]CC13CC3)CC2 ZINC001246130723 1104399305 /nfs/dbraw/zinc/39/93/05/1104399305.db2.gz JLFZRXJDBOGZOV-IUODEOHRSA-N 2 1 311.256 3.192 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246163214 1104411576 /nfs/dbraw/zinc/41/15/76/1104411576.db2.gz YBDYHRSDUOCLDQ-PMACEKPBSA-N 2 1 317.521 3.061 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246165538 1104413171 /nfs/dbraw/zinc/41/31/71/1104413171.db2.gz JCZRXDOUJYGTEK-BEFAXECRSA-N 2 1 308.425 3.148 20 0 DGADMP CC[C@@H]1CC(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246169980 1104417695 /nfs/dbraw/zinc/41/76/95/1104417695.db2.gz KFYZBXDLMLUPSE-XMTFNYHQSA-N 2 1 309.542 3.253 20 0 DGADMP CC[C@@H]1CC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246169980 1104417701 /nfs/dbraw/zinc/41/77/01/1104417701.db2.gz KFYZBXDLMLUPSE-XMTFNYHQSA-N 3 1 309.542 3.253 20 0 DGADMP CC[C@@H]1CC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246169980 1104417704 /nfs/dbraw/zinc/41/77/04/1104417704.db2.gz KFYZBXDLMLUPSE-XMTFNYHQSA-N 3 1 309.542 3.253 20 0 DGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246175801 1104422290 /nfs/dbraw/zinc/42/22/90/1104422290.db2.gz BRACQYFLJKMASP-SJPCQFCGSA-N 2 1 316.445 3.015 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC001246184166 1104426667 /nfs/dbraw/zinc/42/66/67/1104426667.db2.gz ZWPFTJTXURRPBH-LMMKCTJWSA-N 2 1 319.468 3.001 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246184405 1104427677 /nfs/dbraw/zinc/42/76/77/1104427677.db2.gz KQYRVBTXMBTGLB-PMACEKPBSA-N 2 1 317.521 3.061 20 0 DGADMP CC1(C)C[C@H](N[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246187339 1104427723 /nfs/dbraw/zinc/42/77/23/1104427723.db2.gz GRIHCJUCTYYXHC-UYAOXDASSA-N 2 1 315.505 3.161 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC001246192802 1104431417 /nfs/dbraw/zinc/43/14/17/1104431417.db2.gz CBUPIUFBCVRMED-MAZHCROVSA-N 2 1 306.425 3.406 20 0 DGADMP CCCC[C@H]1C[C@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246194573 1104432479 /nfs/dbraw/zinc/43/24/79/1104432479.db2.gz JKXISMNSGXJZGZ-RBUKOAKNSA-N 2 1 303.494 3.019 20 0 DGADMP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246198521 1104433682 /nfs/dbraw/zinc/43/36/82/1104433682.db2.gz QCNNUYLDCCMDPG-ZHALLVOQSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001246196370 1104433966 /nfs/dbraw/zinc/43/39/66/1104433966.db2.gz WJEFGPNRFLUXBU-PWSUYJOCSA-N 2 1 302.796 3.281 20 0 DGADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC(C)(C)C1 ZINC001246203792 1104435400 /nfs/dbraw/zinc/43/54/00/1104435400.db2.gz VBVUCYQGKXORLR-GJZGRUSLSA-N 2 1 312.498 3.384 20 0 DGADMP CCCCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246204502 1104437505 /nfs/dbraw/zinc/43/75/05/1104437505.db2.gz XYJCUDZYSQFDLL-CABCVRRESA-N 2 1 300.487 3.384 20 0 DGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246204111 1104437630 /nfs/dbraw/zinc/43/76/30/1104437630.db2.gz XYGLHGICVPIMMO-HNAYVOBHSA-N 2 1 310.441 3.060 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246214221 1104439004 /nfs/dbraw/zinc/43/90/04/1104439004.db2.gz DRQOKOQRJODXLU-TZTCFGBESA-N 2 1 320.786 3.229 20 0 DGADMP Cc1cccc2c1CC[C@@H]([NH2+]C[C@]1(C)CC[NH2+]CC1(F)F)C2 ZINC001246219284 1104441970 /nfs/dbraw/zinc/44/19/70/1104441970.db2.gz GUQKRGQTYAYRDD-WBVHZDCISA-N 2 1 308.416 3.077 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2c(OC)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246220034 1104443284 /nfs/dbraw/zinc/44/32/84/1104443284.db2.gz ITWGWHHYNPVCOH-VXGBXAGGSA-N 2 1 316.367 3.334 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F ZINC001246229500 1104448032 /nfs/dbraw/zinc/44/80/32/1104448032.db2.gz DDPHZWQBZXYNCS-FUNVUKJBSA-N 2 1 314.351 3.087 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2C(F)(F)F)CC[NH2+]1 ZINC001246236359 1104450601 /nfs/dbraw/zinc/45/06/01/1104450601.db2.gz RLLXRIBNPGGXQO-STQMWFEESA-N 2 1 316.367 3.334 20 0 DGADMP COC[C@H]([NH3+])C[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246241186 1104453863 /nfs/dbraw/zinc/45/38/63/1104453863.db2.gz QOZXKDKJSKEXAY-VQIMIIECSA-N 2 1 312.457 3.160 20 0 DGADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246269847 1104467664 /nfs/dbraw/zinc/46/76/64/1104467664.db2.gz LROSKTOUPPLLDK-CYBMUJFWSA-N 2 1 301.261 3.440 20 0 DGADMP [NH3+]CC1([NH2+][C@H]2CCc3cccc(Br)c3C2)CCCC1 ZINC001246278943 1104470916 /nfs/dbraw/zinc/47/09/16/1104470916.db2.gz KMMTYPGTYWQGHI-ZDUSSCGKSA-N 2 1 323.278 3.168 20 0 DGADMP C[C@@H]1C[C@@H](NC2(C[NH3+])CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246289760 1104475635 /nfs/dbraw/zinc/47/56/35/1104475635.db2.gz VXAITIOEZHKYPX-IZZQQSIFSA-N 2 1 315.505 3.289 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@]3(CCO)CC[NH2+]C3)CC2)CC1 ZINC001246295527 1104476847 /nfs/dbraw/zinc/47/68/47/1104476847.db2.gz OUFJUHGHTDFGEY-QNGUGAFLSA-N 2 1 322.537 3.466 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246300566 1104478455 /nfs/dbraw/zinc/47/84/55/1104478455.db2.gz RUGDLGUAOIUZMQ-YOEHRIQHSA-N 2 1 318.461 3.466 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246308679 1104481811 /nfs/dbraw/zinc/48/18/11/1104481811.db2.gz HDSSRQVTGHREKD-YTQUADARSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3cc(F)ccc32)CC[NH2+]1 ZINC001246312690 1104484107 /nfs/dbraw/zinc/48/41/07/1104484107.db2.gz AJEGLEYMANEAHG-UNEWFSDZSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246326489 1104490906 /nfs/dbraw/zinc/49/09/06/1104490906.db2.gz PLPZZGBGIUYEJH-DSJDWBEOSA-N 2 1 315.505 3.158 20 0 DGADMP COC(=O)[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CC[NH2+]CC1 ZINC001246328294 1104493475 /nfs/dbraw/zinc/49/34/75/1104493475.db2.gz KZBWCMFMSBHTCL-KRWDZBQOSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246331914 1104495040 /nfs/dbraw/zinc/49/50/40/1104495040.db2.gz OPEIAXBOJSGHBA-YWPYICTPSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332666 1104495937 /nfs/dbraw/zinc/49/59/37/1104495937.db2.gz RPPRLHQWRHCYQV-HUBLWGQQSA-N 2 1 300.368 3.224 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246346483 1104500666 /nfs/dbraw/zinc/50/06/66/1104500666.db2.gz MDHLJUFDGPRFCJ-ZFWWWQNUSA-N 2 1 324.490 3.181 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246346482 1104500958 /nfs/dbraw/zinc/50/09/58/1104500958.db2.gz MDHLJUFDGPRFCJ-UKRRQHHQSA-N 2 1 324.490 3.181 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCc4ccccc4N3)CC[NH2+]2)cc1 ZINC001246345238 1104501160 /nfs/dbraw/zinc/50/11/60/1104501160.db2.gz DICIFFDMAYNARB-ZJOUEHCJSA-N 2 1 321.468 3.496 20 0 DGADMP Nc1cccc(CCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246350892 1104501872 /nfs/dbraw/zinc/50/18/72/1104501872.db2.gz NFKLZDFEOXUDQJ-VQTJNVASSA-N 2 1 309.457 3.284 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358297 1104506392 /nfs/dbraw/zinc/50/63/92/1104506392.db2.gz CRJSQGUADDKKAS-CKYFFXLPSA-N 2 1 302.796 3.279 20 0 DGADMP CCCC[C@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246360075 1104507813 /nfs/dbraw/zinc/50/78/13/1104507813.db2.gz ILVZCIKWCSLKTF-RCCFBDPRSA-N 2 1 307.526 3.294 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246363059 1104509295 /nfs/dbraw/zinc/50/92/95/1104509295.db2.gz OTIDGVLGMVAAOU-SJORKVTESA-N 2 1 318.461 3.120 20 0 DGADMP FC(F)(F)c1ccccc1CC1(C[NH2+][C@H]2CC[NH2+]C2)CCC1 ZINC001246384538 1104518447 /nfs/dbraw/zinc/51/84/47/1104518447.db2.gz PPNDKXNJPOACHW-AWEZNQCLSA-N 2 1 312.379 3.370 20 0 DGADMP FC(F)(F)c1ccc(CC2(C[NH2+][C@@H]3CC[NH2+]C3)CCC2)cc1 ZINC001246385871 1104519522 /nfs/dbraw/zinc/51/95/22/1104519522.db2.gz UUJSHOVKQWPMPD-OAHLLOKOSA-N 2 1 312.379 3.370 20 0 DGADMP CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246385005 1104519729 /nfs/dbraw/zinc/51/97/29/1104519729.db2.gz AOPSJPUXACKANP-AWEZNQCLSA-N 2 1 300.368 3.368 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2OC)C2CC2)CC[NH2+]1 ZINC001246391706 1104522707 /nfs/dbraw/zinc/52/27/07/1104522707.db2.gz GQADVEWKVLWNQW-RYRKJORJSA-N 2 1 317.477 3.442 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2OC)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246394069 1104524209 /nfs/dbraw/zinc/52/42/09/1104524209.db2.gz MASJRFJTSUQKPE-DFGXFYAUSA-N 2 1 317.477 3.440 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246407050 1104528598 /nfs/dbraw/zinc/52/85/98/1104528598.db2.gz SSVYBZBJGQKWIK-JJKXXDHXSA-N 3 1 305.510 3.174 20 0 DGADMP CC(C)[C@H]1C[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246405635 1104528663 /nfs/dbraw/zinc/52/86/63/1104528663.db2.gz MXAJBWVRGUYWKS-HSALFYBXSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC001246405635 1104528675 /nfs/dbraw/zinc/52/86/75/1104528675.db2.gz MXAJBWVRGUYWKS-HSALFYBXSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246416765 1104532715 /nfs/dbraw/zinc/53/27/15/1104532715.db2.gz LQQZITJBRFMVMV-CLCXKQKWSA-N 2 1 324.509 3.255 20 0 DGADMP CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246430695 1104535713 /nfs/dbraw/zinc/53/57/13/1104535713.db2.gz HELQMNCQYFWZAB-ZDUSSCGKSA-N 2 1 300.368 3.368 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CCC2)cc1 ZINC001246429669 1104536843 /nfs/dbraw/zinc/53/68/43/1104536843.db2.gz CJPPVZMRCUZEGX-DOTOQJQBSA-N 2 1 302.462 3.138 20 0 DGADMP C1=CO[C@@H](C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001274900396 1104537321 /nfs/dbraw/zinc/53/73/21/1104537321.db2.gz XGJAGNISDOWVEZ-GOSISDBHSA-N 2 1 304.478 3.410 20 0 DGADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)Cc1ccc(C(F)(F)F)cc1 ZINC001246437237 1104539772 /nfs/dbraw/zinc/53/97/72/1104539772.db2.gz UJUYQMMSOLUKMV-AWEZNQCLSA-N 2 1 300.368 3.226 20 0 DGADMP C[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440225 1104539800 /nfs/dbraw/zinc/53/98/00/1104539800.db2.gz CWFKLWUQDMCLIS-UDTPNQRGSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440225 1104539811 /nfs/dbraw/zinc/53/98/11/1104539811.db2.gz CWFKLWUQDMCLIS-UDTPNQRGSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246439661 1104540841 /nfs/dbraw/zinc/54/08/41/1104540841.db2.gz PMXJQUXYLXFQRP-GDBMZVCRSA-N 2 1 322.880 3.162 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246449101 1104544630 /nfs/dbraw/zinc/54/46/30/1104544630.db2.gz WHWFMRUYEYKGRA-DLBZAZTESA-N 3 1 307.526 3.055 20 0 DGADMP COC[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246465713 1104549644 /nfs/dbraw/zinc/54/96/44/1104549644.db2.gz OBQHFLZESVROJH-SYNTWQANSA-N 2 1 322.880 3.333 20 0 DGADMP CCC[C@@]1(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246462402 1104550294 /nfs/dbraw/zinc/55/02/94/1104550294.db2.gz RCKDXMPUKWCEHO-PMACEKPBSA-N 2 1 315.505 3.163 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)NCC4)CC[NH2+]2)cc1 ZINC001246474448 1104557266 /nfs/dbraw/zinc/55/72/66/1104557266.db2.gz PIMKBMPFAGWFBZ-QUCCMNQESA-N 2 1 307.441 3.238 20 0 DGADMP [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246479463 1104558590 /nfs/dbraw/zinc/55/85/90/1104558590.db2.gz VJUFSZMRNCPKQG-OBKDMQGPSA-N 2 1 313.489 3.042 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+]C1CCc2ccccc2CC1 ZINC001246483405 1104561224 /nfs/dbraw/zinc/56/12/24/1104561224.db2.gz SYPSRHWMLTTXBI-MRXNPFEDSA-N 2 1 308.416 3.159 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@H]1C[C@@H]3C[NH2+][C@H]1C3)CC2 ZINC001246497269 1104564294 /nfs/dbraw/zinc/56/42/94/1104564294.db2.gz XGOWRKBCUMXISS-JGXBHBFRSA-N 2 1 311.256 3.191 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H]3C[C@@H]31)CC2 ZINC001246501860 1104568039 /nfs/dbraw/zinc/56/80/39/1104568039.db2.gz DZVWGFROHQXZTM-RSUWNVLCSA-N 2 1 311.256 3.048 20 0 DGADMP [NH3+]C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001246507270 1104569971 /nfs/dbraw/zinc/56/99/71/1104569971.db2.gz MNXQFFRFXXXDHF-NHCUHLMSSA-N 2 1 323.484 3.331 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(Br)cc2)CN1 ZINC001246511738 1104570834 /nfs/dbraw/zinc/57/08/34/1104570834.db2.gz CVQKZKLFTALWGU-KAOXEZKKSA-N 2 1 309.251 3.035 20 0 DGADMP COc1cccc([C@H](C[NH3+])N[C@@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508849 1104571203 /nfs/dbraw/zinc/57/12/03/1104571203.db2.gz FIXSGKQPXBZJLY-QUCCMNQESA-N 2 1 310.441 3.151 20 0 DGADMP Brc1ccc([C@@H]2C[C@H]2[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246513222 1104571680 /nfs/dbraw/zinc/57/16/80/1104571680.db2.gz HAOBZIHMONTYQU-QLFBSQMISA-N 2 1 309.251 3.037 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c1 ZINC001246521708 1104575378 /nfs/dbraw/zinc/57/53/78/1104575378.db2.gz PYNYIZYBLOWSMH-RTBURBONSA-N 2 1 315.505 3.202 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)cc1C ZINC001246520370 1104575593 /nfs/dbraw/zinc/57/55/93/1104575593.db2.gz IGHCJWWLIIXIKV-VQTJNVASSA-N 2 1 315.505 3.202 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246521768 1104576297 /nfs/dbraw/zinc/57/62/97/1104576297.db2.gz FEIHXFMVBAGCQY-KRWDZBQOSA-N 2 1 304.865 3.273 20 0 DGADMP CC[C@@H]1C[C@@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528014 1104578983 /nfs/dbraw/zinc/57/89/83/1104578983.db2.gz NFOUYYJTGFGOJF-YRPNKDGESA-N 2 1 315.505 3.284 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001246536500 1104582200 /nfs/dbraw/zinc/58/22/00/1104582200.db2.gz FYYJFPFSSLNDMW-IOJLRTSASA-N 2 1 314.473 3.433 20 0 DGADMP CCc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc(CC)c1O ZINC001275031905 1104584977 /nfs/dbraw/zinc/58/49/77/1104584977.db2.gz XQRHFAQYMWWPAJ-UHFFFAOYSA-N 2 1 316.489 3.435 20 0 DGADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001246544227 1104585511 /nfs/dbraw/zinc/58/55/11/1104585511.db2.gz WUFDLWGNYYZMGH-HOTGVXAUSA-N 2 1 323.278 3.120 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(C)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246540830 1104585827 /nfs/dbraw/zinc/58/58/27/1104585827.db2.gz UAHKTRUXHUKSKE-RUYXUALKSA-N 2 1 315.505 3.426 20 0 DGADMP CC1(C)C[C@@H](N2CCC[C@](C)([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246541061 1104586035 /nfs/dbraw/zinc/58/60/35/1104586035.db2.gz NQSOXERHSACOSY-ICSRJNTNSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@H]1C[N@H+](C2CCC(OCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246542373 1104586127 /nfs/dbraw/zinc/58/61/27/1104586127.db2.gz ORHVMMZHNNAAKW-XMZVIZOASA-N 2 1 302.462 3.041 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H](CC)[NH2+]1 ZINC001246548793 1104587372 /nfs/dbraw/zinc/58/73/72/1104587372.db2.gz OJHLILATDLNGNU-BJWYYQGGSA-N 2 1 318.461 3.199 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H](CC)[NH2+]1 ZINC001246548793 1104587379 /nfs/dbraw/zinc/58/73/79/1104587379.db2.gz OJHLILATDLNGNU-BJWYYQGGSA-N 2 1 318.461 3.199 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246546040 1104587462 /nfs/dbraw/zinc/58/74/62/1104587462.db2.gz MMYQCNOWNFJDTB-GXTWGEPZSA-N 2 1 311.267 3.193 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551372 1104589888 /nfs/dbraw/zinc/58/98/88/1104589888.db2.gz QCTJVHXSAYSZQV-ZIAGYGMSSA-N 2 1 322.880 3.137 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551372 1104589899 /nfs/dbraw/zinc/58/98/99/1104589899.db2.gz QCTJVHXSAYSZQV-ZIAGYGMSSA-N 2 1 322.880 3.137 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)CC2 ZINC001246553004 1104591542 /nfs/dbraw/zinc/59/15/42/1104591542.db2.gz QMWJOTGBTOQGRN-FZKQIMNGSA-N 2 1 322.880 3.409 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246553701 1104592117 /nfs/dbraw/zinc/59/21/17/1104592117.db2.gz UFOYIXAQSXMJBD-HSFDUWRESA-N 2 1 316.489 3.431 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3ccc(F)cc3)CC2)CC[C@H]1C[NH3+] ZINC001246556537 1104592546 /nfs/dbraw/zinc/59/25/46/1104592546.db2.gz HPBVPHRYSKOBTO-CVEARBPZSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1C[NH3+] ZINC001246556540 1104592792 /nfs/dbraw/zinc/59/27/92/1104592792.db2.gz HPBVPHRYSKOBTO-JKSUJKDBSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564332 1104597354 /nfs/dbraw/zinc/59/73/54/1104597354.db2.gz MVLOCZWRZFKRQD-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564332 1104597360 /nfs/dbraw/zinc/59/73/60/1104597360.db2.gz MVLOCZWRZFKRQD-YZGWKJHDSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564332 1104597367 /nfs/dbraw/zinc/59/73/67/1104597367.db2.gz MVLOCZWRZFKRQD-YZGWKJHDSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246564332 1104597375 /nfs/dbraw/zinc/59/73/75/1104597375.db2.gz MVLOCZWRZFKRQD-YZGWKJHDSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564332 1104597382 /nfs/dbraw/zinc/59/73/82/1104597382.db2.gz MVLOCZWRZFKRQD-YZGWKJHDSA-N 3 1 315.505 3.100 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001246564860 1104597498 /nfs/dbraw/zinc/59/74/98/1104597498.db2.gz GODPIGVXLUJQSF-RYRKJORJSA-N 2 1 304.478 3.323 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246570294 1104600018 /nfs/dbraw/zinc/60/00/18/1104600018.db2.gz OZMBXOWZKJQBKD-KMUNFCNLSA-N 2 1 302.796 3.171 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246570294 1104600021 /nfs/dbraw/zinc/60/00/21/1104600021.db2.gz OZMBXOWZKJQBKD-KMUNFCNLSA-N 2 1 302.796 3.171 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001275061894 1104600321 /nfs/dbraw/zinc/60/03/21/1104600321.db2.gz MRJZAXAQFYODIA-KRWDZBQOSA-N 2 1 318.509 3.237 20 0 DGADMP CC(C)=CCC[C@H](C)C[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001275057255 1104602218 /nfs/dbraw/zinc/60/22/18/1104602218.db2.gz IJEMVLFYXHPFPP-IBGZPJMESA-N 2 1 321.553 3.328 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246581831 1104604400 /nfs/dbraw/zinc/60/44/00/1104604400.db2.gz AYRFQDNAVXOZAA-IRXDYDNUSA-N 2 1 312.498 3.351 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579791 1104604464 /nfs/dbraw/zinc/60/44/64/1104604464.db2.gz LJOVIKASFBXQOJ-BBRMVZONSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579791 1104604471 /nfs/dbraw/zinc/60/44/71/1104604471.db2.gz LJOVIKASFBXQOJ-BBRMVZONSA-N 2 1 314.445 3.459 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001246585996 1104605560 /nfs/dbraw/zinc/60/55/60/1104605560.db2.gz ZQZQIGCPIMJKPX-LRYGQEGESA-N 2 1 302.462 3.437 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H](C[NH3+])CC[C@@H]1C)CC2 ZINC001246589848 1104607669 /nfs/dbraw/zinc/60/76/69/1104607669.db2.gz GZHQWHFCYYERGR-MELADBBJSA-N 2 1 322.880 3.265 20 0 DGADMP [NH3+]C[C@H]1CCCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591384 1104610449 /nfs/dbraw/zinc/61/04/49/1104610449.db2.gz IQHCNDWYYFKANX-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591384 1104610454 /nfs/dbraw/zinc/61/04/54/1104610454.db2.gz IQHCNDWYYFKANX-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591384 1104610461 /nfs/dbraw/zinc/61/04/61/1104610461.db2.gz IQHCNDWYYFKANX-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001246591384 1104610466 /nfs/dbraw/zinc/61/04/66/1104610466.db2.gz IQHCNDWYYFKANX-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591384 1104610471 /nfs/dbraw/zinc/61/04/71/1104610471.db2.gz IQHCNDWYYFKANX-WOJBJXKFSA-N 3 1 315.505 3.102 20 0 DGADMP C1CC2(C1)C[C@@H]([NH+]1CCCC3(CCCC[NH2+]C3)CCC1)CC[NH2+]2 ZINC001246593704 1104612426 /nfs/dbraw/zinc/61/24/26/1104612426.db2.gz HTJFJPMGXZKDTG-SFHVURJKSA-N 3 1 319.537 3.297 20 0 DGADMP CC(C)N([C@H]1CCC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597516 1104613772 /nfs/dbraw/zinc/61/37/72/1104613772.db2.gz XAAPWXNUXLHGGK-MOPGFXCFSA-N 2 1 307.526 3.246 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC001246598086 1104614061 /nfs/dbraw/zinc/61/40/61/1104614061.db2.gz ZPYUCPZXRAOIJW-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC001246599645 1104616426 /nfs/dbraw/zinc/61/64/26/1104616426.db2.gz DUQQIEMVZYZQGX-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246602632 1104618691 /nfs/dbraw/zinc/61/86/91/1104618691.db2.gz HXVOWMDWDYTCII-DYVFJYSZSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246602632 1104618699 /nfs/dbraw/zinc/61/86/99/1104618699.db2.gz HXVOWMDWDYTCII-DYVFJYSZSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246602634 1104619040 /nfs/dbraw/zinc/61/90/40/1104619040.db2.gz HXVOWMDWDYTCII-SUMWQHHRSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246602634 1104619045 /nfs/dbraw/zinc/61/90/45/1104619045.db2.gz HXVOWMDWDYTCII-SUMWQHHRSA-N 2 1 310.844 3.486 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246602889 1104620710 /nfs/dbraw/zinc/62/07/10/1104620710.db2.gz DJPGLEIAHQFGHP-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001246608722 1104624730 /nfs/dbraw/zinc/62/47/30/1104624730.db2.gz VPCNZVXUSWAENZ-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP c1ccc2c(c1)C[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CS2 ZINC001246612246 1104625753 /nfs/dbraw/zinc/62/57/53/1104625753.db2.gz QMZVVCQCJLCYDE-INIZCTEOSA-N 2 1 302.487 3.312 20 0 DGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001246610532 1104625951 /nfs/dbraw/zinc/62/59/51/1104625951.db2.gz BNQMQYKEFRIWMM-GOSISDBHSA-N 2 1 316.489 3.018 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001246610578 1104626420 /nfs/dbraw/zinc/62/64/20/1104626420.db2.gz PNKLGRCWRKMIDN-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)C2 ZINC001246613873 1104628701 /nfs/dbraw/zinc/62/87/01/1104628701.db2.gz ZHBULMLBQZMNIO-ZWKOTPCHSA-N 2 1 304.865 3.273 20 0 DGADMP C1CCC2(C1)CCC([N@H+]1CCOCC3(CC[NH2+]CC3)C1)CC2 ZINC001246616264 1104629451 /nfs/dbraw/zinc/62/94/51/1104629451.db2.gz VBJLJGIGPCWDKG-UHFFFAOYSA-N 2 1 306.494 3.191 20 0 DGADMP CC(C)COCC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617571 1104631247 /nfs/dbraw/zinc/63/12/47/1104631247.db2.gz DNWQTNYSERYRKW-MJGOQNOKSA-N 2 1 316.489 3.127 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246624456 1104633041 /nfs/dbraw/zinc/63/30/41/1104633041.db2.gz UYWGALNDFSCAOU-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246624456 1104633043 /nfs/dbraw/zinc/63/30/43/1104633043.db2.gz UYWGALNDFSCAOU-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246628697 1104634112 /nfs/dbraw/zinc/63/41/12/1104634112.db2.gz CDTILODTUJJOCI-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP C1CCC2(CC1)CCC[C@H]([N@H+]1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)C2 ZINC001246627875 1104634532 /nfs/dbraw/zinc/63/45/32/1104634532.db2.gz AQDNYYQOUGKVDD-FGTMMUONSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246626383 1104634572 /nfs/dbraw/zinc/63/45/72/1104634572.db2.gz SXYNRMBSPZLWGH-UZLBHIALSA-N 2 1 324.443 3.446 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246628453 1104634631 /nfs/dbraw/zinc/63/46/31/1104634631.db2.gz LRNYGYYALBHXIM-QAPCUYQASA-N 2 1 304.865 3.273 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246630536 1104635977 /nfs/dbraw/zinc/63/59/77/1104635977.db2.gz PGEFNCBSAFKXIB-MAUKXSAKSA-N 2 1 304.865 3.273 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246631831 1104636303 /nfs/dbraw/zinc/63/63/03/1104636303.db2.gz SVIFSLVSZASDRE-CKHPTIKVSA-N 2 1 310.485 3.499 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]3(C1)C[NH2+]CCC3(F)F)CC2 ZINC001246636993 1104640726 /nfs/dbraw/zinc/64/07/26/1104640726.db2.gz IGXRUQWVQQKOIL-ZWKOTPCHSA-N 2 1 320.427 3.173 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001246644818 1104643957 /nfs/dbraw/zinc/64/39/57/1104643957.db2.gz LYXBMGMMTOAZIZ-JXFKEZNVSA-N 2 1 316.489 3.480 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656472 1104650852 /nfs/dbraw/zinc/65/08/52/1104650852.db2.gz NTRZSYWVHOUZMB-XHSDSOJGSA-N 2 1 312.379 3.091 20 0 DGADMP C1C[NH2+]C[C@H]([C@@H]2CCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)C1 ZINC001246679071 1104658312 /nfs/dbraw/zinc/65/83/12/1104658312.db2.gz RSBLSMUBNXOGNJ-UVHRUJRTSA-N 3 1 319.537 3.010 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CS2 ZINC001246677704 1104658586 /nfs/dbraw/zinc/65/85/86/1104658586.db2.gz LJHNCHAPHOIHDY-KSZLIROESA-N 2 1 316.514 3.415 20 0 DGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679248 1104658640 /nfs/dbraw/zinc/65/86/40/1104658640.db2.gz RYHMSCZNWVLHDN-NJAFHUGGSA-N 2 1 304.453 3.468 20 0 DGADMP CCCC[C@@H](CCC)[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246683247 1104660607 /nfs/dbraw/zinc/66/06/07/1104660607.db2.gz QCXTWYZGVLDTNL-SCTDSRPQSA-N 2 1 324.509 3.210 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246689280 1104662142 /nfs/dbraw/zinc/66/21/42/1104662142.db2.gz HUQAUBYNFITNRS-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC[NH2+]1 ZINC001246744397 1104665589 /nfs/dbraw/zinc/66/55/89/1104665589.db2.gz MKKKIORBLAXWGP-SWBPCFCJSA-N 2 1 320.521 3.290 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246774895 1104668818 /nfs/dbraw/zinc/66/88/18/1104668818.db2.gz DWKIJHBUVZQJIM-UHFFFAOYSA-N 2 1 323.278 3.413 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)[NH2+]1 ZINC001246782821 1104672111 /nfs/dbraw/zinc/67/21/11/1104672111.db2.gz UYDZAGXXCSSYQI-REPLKXPHSA-N 3 1 309.542 3.348 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246785653 1104673778 /nfs/dbraw/zinc/67/37/78/1104673778.db2.gz LNAJAFPQGIIFEB-SJLPKXTDSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246784394 1104674117 /nfs/dbraw/zinc/67/41/17/1104674117.db2.gz GGHCVQPOGYVWNW-SFNKJDCFSA-N 2 1 302.462 3.449 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001246792598 1104677465 /nfs/dbraw/zinc/67/74/65/1104677465.db2.gz AJPHBJCDUDSPPL-GXTWGEPZSA-N 2 1 300.368 3.493 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC001246794246 1104679797 /nfs/dbraw/zinc/67/97/97/1104679797.db2.gz GINPNDCRZADPTQ-PNBKFKSVSA-N 2 1 324.390 3.493 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246795165 1104679854 /nfs/dbraw/zinc/67/98/54/1104679854.db2.gz IKQKXIWIFBDNST-INIZCTEOSA-N 2 1 308.416 3.144 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246797957 1104680791 /nfs/dbraw/zinc/68/07/91/1104680791.db2.gz QBRHRMHHVNIOHJ-INIZCTEOSA-N 2 1 308.416 3.144 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246798274 1104680845 /nfs/dbraw/zinc/68/08/45/1104680845.db2.gz NUGRTGLLMCRKIP-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246798265 1104680913 /nfs/dbraw/zinc/68/09/13/1104680913.db2.gz NQKZIADYUFWNOT-WBAXXEDZSA-N 2 1 322.880 3.462 20 0 DGADMP c1cc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)ncn1 ZINC001275224162 1104681151 /nfs/dbraw/zinc/68/11/51/1104681151.db2.gz WIMNHHFESVYNBU-UHFFFAOYSA-N 2 1 314.477 3.097 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@H](C[NH3+])C3)ccc2c1 ZINC001246798444 1104681186 /nfs/dbraw/zinc/68/11/86/1104681186.db2.gz SOKPLAYBWXLYCD-NVXWUHKLSA-N 2 1 312.457 3.450 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246801928 1104682571 /nfs/dbraw/zinc/68/25/71/1104682571.db2.gz URFRBMOQQDHFSE-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246814538 1104688186 /nfs/dbraw/zinc/68/81/86/1104688186.db2.gz QHMZVYXJPPVQMS-ROUUACIJSA-N 2 1 304.478 3.480 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246815603 1104688342 /nfs/dbraw/zinc/68/83/42/1104688342.db2.gz ZDNRTKMMMZQKJY-BCDXTJNWSA-N 2 1 304.478 3.479 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246813658 1104688800 /nfs/dbraw/zinc/68/88/00/1104688800.db2.gz LDOBDXLIJWKSNO-KRWDZBQOSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246813672 1104689065 /nfs/dbraw/zinc/68/90/65/1104689065.db2.gz LJKFENZZQBBHRX-UHFFFAOYSA-N 2 1 302.462 3.092 20 0 DGADMP C[N@@H+](CCc1ccccc1Cl)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246825265 1104693000 /nfs/dbraw/zinc/69/30/00/1104693000.db2.gz UFWTYSVDOGBVMO-UHFFFAOYSA-N 2 1 322.880 3.116 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)[C@@H]1C ZINC001246835757 1104697530 /nfs/dbraw/zinc/69/75/30/1104697530.db2.gz UBMWQNQSHDBQHD-IKGGRYGDSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839034 1104699635 /nfs/dbraw/zinc/69/96/35/1104699635.db2.gz AIANKBLQUKTFQV-ZIEJDFEHSA-N 2 1 323.278 3.049 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246838560 1104699771 /nfs/dbraw/zinc/69/97/71/1104699771.db2.gz JEIZCYCNUWXVAE-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246838532 1104700250 /nfs/dbraw/zinc/70/02/50/1104700250.db2.gz CRCRYFZRRHFHRF-MIFYACCESA-N 2 1 323.278 3.269 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246842006 1104703795 /nfs/dbraw/zinc/70/37/95/1104703795.db2.gz SMBFWZAWYKNYMV-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246842006 1104703801 /nfs/dbraw/zinc/70/38/01/1104703801.db2.gz SMBFWZAWYKNYMV-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP C1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1C1CCCCC1 ZINC001246845159 1104705004 /nfs/dbraw/zinc/70/50/04/1104705004.db2.gz DPGISPQRRBHBON-VIQWUECVSA-N 2 1 306.494 3.190 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246847633 1104705209 /nfs/dbraw/zinc/70/52/09/1104705209.db2.gz WGXXCKCWFHVOLO-ROUUACIJSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246847633 1104705213 /nfs/dbraw/zinc/70/52/13/1104705213.db2.gz WGXXCKCWFHVOLO-ROUUACIJSA-N 2 1 324.424 3.340 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848570 1104707930 /nfs/dbraw/zinc/70/79/30/1104707930.db2.gz CIUPVZFUZHQDQY-KMFMINBZSA-N 2 1 308.853 3.324 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)c(C)c1 ZINC001246853634 1104708464 /nfs/dbraw/zinc/70/84/64/1104708464.db2.gz RWLGXLNUFRLQFM-SFHVURJKSA-N 2 1 313.489 3.100 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC001246871153 1104714345 /nfs/dbraw/zinc/71/43/45/1104714345.db2.gz OXDBEMJWPGSVKE-CRAIPNDOSA-N 2 1 302.462 3.090 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246880485 1104720310 /nfs/dbraw/zinc/72/03/10/1104720310.db2.gz FVYLUEARQKFSJA-ROUUACIJSA-N 2 1 302.462 3.092 20 0 DGADMP Fc1ccc2c(c1)CC[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246883950 1104721481 /nfs/dbraw/zinc/72/14/81/1104721481.db2.gz YWUAQHUIBISXOP-UHFFFAOYSA-N 2 1 302.437 3.496 20 0 DGADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882251 1104721732 /nfs/dbraw/zinc/72/17/32/1104721732.db2.gz XZXYPBVPSRMJSP-LFGUQSLTSA-N 2 1 316.489 3.053 20 0 DGADMP CC(C)(C)c1ccc(N2CC[NH+]([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246893889 1104725298 /nfs/dbraw/zinc/72/52/98/1104725298.db2.gz XKZPCTDIGOMIAS-SFHVURJKSA-N 2 1 315.505 3.248 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246889910 1104726093 /nfs/dbraw/zinc/72/60/93/1104726093.db2.gz GUXNZQNDYOBOOU-VQIMIIECSA-N 2 1 315.505 3.247 20 0 DGADMP Cc1cc(F)ccc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246895147 1104727438 /nfs/dbraw/zinc/72/74/38/1104727438.db2.gz PQSDOCJDODXNKR-QZTJIDSGSA-N 2 1 319.468 3.033 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3cccc4sccc43)CC2)CC[NH2+]1 ZINC001246899189 1104727589 /nfs/dbraw/zinc/72/75/89/1104727589.db2.gz QMLYPGHABJOSGH-CABCVRRESA-N 2 1 315.486 3.164 20 0 DGADMP CCC[C@H]1CN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246904189 1104731000 /nfs/dbraw/zinc/73/10/00/1104731000.db2.gz SNEFBZFDFYYTEG-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909840 1104731464 /nfs/dbraw/zinc/73/14/64/1104731464.db2.gz QPNRUSZLJZZHMT-FZMZJTMJSA-N 2 1 314.351 3.084 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909840 1104731472 /nfs/dbraw/zinc/73/14/72/1104731472.db2.gz QPNRUSZLJZZHMT-FZMZJTMJSA-N 2 1 314.351 3.084 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246908143 1104731691 /nfs/dbraw/zinc/73/16/91/1104731691.db2.gz FZICYDNUOGOQHT-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908955 1104732923 /nfs/dbraw/zinc/73/29/23/1104732923.db2.gz HGHNDIRTBXGUDN-SJLPKXTDSA-N 3 1 319.468 3.001 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908955 1104732929 /nfs/dbraw/zinc/73/29/29/1104732929.db2.gz HGHNDIRTBXGUDN-SJLPKXTDSA-N 3 1 319.468 3.001 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)CC1 ZINC001246912495 1104733977 /nfs/dbraw/zinc/73/39/77/1104733977.db2.gz STMDDMBVFVJICG-WIHSUSGWSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@H]([NH2+]C3CC3)C2)CC1 ZINC001246912495 1104733983 /nfs/dbraw/zinc/73/39/83/1104733983.db2.gz STMDDMBVFVJICG-WIHSUSGWSA-N 2 1 322.493 3.103 20 0 DGADMP C[NH2+]CC[C@@H](C)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001246910891 1104734503 /nfs/dbraw/zinc/73/45/03/1104734503.db2.gz LCMJLIMPXSYCFM-OAHLLOKOSA-N 2 1 323.912 3.234 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246915489 1104734911 /nfs/dbraw/zinc/73/49/11/1104734911.db2.gz FUFCVJDCANEITL-GPANFISMSA-N 2 1 308.416 3.285 20 0 DGADMP CC[C@@H]1C[C@@H](N(C)CC[N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246919154 1104737373 /nfs/dbraw/zinc/73/73/73/1104737373.db2.gz JELYYVQFLGQNSC-ACDBMABISA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246919804 1104737519 /nfs/dbraw/zinc/73/75/19/1104737519.db2.gz ROPXDKRGKRBFHI-QAETUUGQSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246919804 1104737525 /nfs/dbraw/zinc/73/75/25/1104737525.db2.gz ROPXDKRGKRBFHI-QAETUUGQSA-N 2 1 322.493 3.103 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246920965 1104738090 /nfs/dbraw/zinc/73/80/90/1104738090.db2.gz PSTHONXXGQFXNM-GPANFISMSA-N 2 1 308.416 3.285 20 0 DGADMP C[C@@H]1C[C@H](N(C)[C@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246923450 1104738594 /nfs/dbraw/zinc/73/85/94/1104738594.db2.gz XEFXXFPTNPEHLC-AFYVEPGGSA-N 2 1 315.505 3.241 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246925371 1104739663 /nfs/dbraw/zinc/73/96/63/1104739663.db2.gz XHZDOIDZJMBSIX-GOSISDBHSA-N 2 1 316.489 3.482 20 0 DGADMP COCC[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001246925954 1104740323 /nfs/dbraw/zinc/74/03/23/1104740323.db2.gz BBNWCPBGZFZEQD-QYZOEREBSA-N 2 1 302.462 3.023 20 0 DGADMP COCC[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001246925954 1104740326 /nfs/dbraw/zinc/74/03/26/1104740326.db2.gz BBNWCPBGZFZEQD-QYZOEREBSA-N 2 1 302.462 3.023 20 0 DGADMP OCCCCCC[N@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246927295 1104740367 /nfs/dbraw/zinc/74/03/67/1104740367.db2.gz YLRMXDNRERTTCB-LJQANCHMSA-N 2 1 304.478 3.183 20 0 DGADMP OCCCCCC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246927295 1104740373 /nfs/dbraw/zinc/74/03/73/1104740373.db2.gz YLRMXDNRERTTCB-LJQANCHMSA-N 2 1 304.478 3.183 20 0 DGADMP CC1(C)C[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939627 1104744636 /nfs/dbraw/zinc/74/46/36/1104744636.db2.gz BSKVGXTWIZMLDF-MSOLQXFVSA-N 2 1 320.452 3.337 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939627 1104744642 /nfs/dbraw/zinc/74/46/42/1104744642.db2.gz BSKVGXTWIZMLDF-MSOLQXFVSA-N 2 1 320.452 3.337 20 0 DGADMP CCOCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246943224 1104745391 /nfs/dbraw/zinc/74/53/91/1104745391.db2.gz PKWWDCSBMFRTEN-MRXNPFEDSA-N 2 1 322.468 3.442 20 0 DGADMP COCc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)s1 ZINC001275395820 1104746043 /nfs/dbraw/zinc/74/60/43/1104746043.db2.gz FWZCIUSHZNUHPI-QGZVFWFLSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)s1 ZINC001275395820 1104746049 /nfs/dbraw/zinc/74/60/49/1104746049.db2.gz FWZCIUSHZNUHPI-QGZVFWFLSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)s1 ZINC001275395820 1104746055 /nfs/dbraw/zinc/74/60/55/1104746055.db2.gz FWZCIUSHZNUHPI-QGZVFWFLSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001275395820 1104746062 /nfs/dbraw/zinc/74/60/62/1104746062.db2.gz FWZCIUSHZNUHPI-QGZVFWFLSA-N 2 1 308.491 3.202 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)nc1 ZINC001275401094 1104747098 /nfs/dbraw/zinc/74/70/98/1104747098.db2.gz JNHAGNKKGKXERM-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246943591 1104747360 /nfs/dbraw/zinc/74/73/60/1104747360.db2.gz MJOXKJGMUWMEOS-SJORKVTESA-N 2 1 302.487 3.288 20 0 DGADMP C1CC2(C[C@H]1[N@H+]1CCOC[C@H]1C1CCCCC1)CC[NH2+]CC2 ZINC001246947378 1104747952 /nfs/dbraw/zinc/74/79/52/1104747952.db2.gz XHFAZHTYELYSKL-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP CCCCCC[C@@H](CCCC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246949003 1104748147 /nfs/dbraw/zinc/74/81/47/1104748147.db2.gz ROTOAKMWZMJZJY-IKGGRYGDSA-N 2 1 312.498 3.338 20 0 DGADMP CCCCCC[C@@H](CCCC)[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246949003 1104748151 /nfs/dbraw/zinc/74/81/51/1104748151.db2.gz ROTOAKMWZMJZJY-IKGGRYGDSA-N 2 1 312.498 3.338 20 0 DGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949541 1104749505 /nfs/dbraw/zinc/74/95/05/1104749505.db2.gz UAOKSNOSQBWHQI-KBNOKHGBSA-N 2 1 313.272 3.464 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C[C@H]1C ZINC001246953181 1104751627 /nfs/dbraw/zinc/75/16/27/1104751627.db2.gz MJZVMUVPAWSEJV-MDZRGWNJSA-N 2 1 301.478 3.460 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246958595 1104752699 /nfs/dbraw/zinc/75/26/99/1104752699.db2.gz TZLQMNOFJWHAFR-VQFNDLOPSA-N 2 1 302.437 3.487 20 0 DGADMP Fc1ccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246957043 1104752832 /nfs/dbraw/zinc/75/28/32/1104752832.db2.gz XGFPIQKALAQAHO-XOIINTDNSA-N 2 1 306.400 3.317 20 0 DGADMP Fc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246957043 1104752836 /nfs/dbraw/zinc/75/28/36/1104752836.db2.gz XGFPIQKALAQAHO-XOIINTDNSA-N 2 1 306.400 3.317 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)C[C@H](CC)[NH2+]1 ZINC001246967226 1104755284 /nfs/dbraw/zinc/75/52/84/1104755284.db2.gz MMKFQAPAOKZXGV-ZMMAXQRCSA-N 2 1 317.477 3.234 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246969871 1104755363 /nfs/dbraw/zinc/75/53/63/1104755363.db2.gz XSGZLIGYQGPZAG-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970418 1104755506 /nfs/dbraw/zinc/75/55/06/1104755506.db2.gz ZBJKTQOOWMYVDS-WBVHZDCISA-N 2 1 320.502 3.316 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970418 1104755511 /nfs/dbraw/zinc/75/55/11/1104755511.db2.gz ZBJKTQOOWMYVDS-WBVHZDCISA-N 2 1 320.502 3.316 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246971542 1104756396 /nfs/dbraw/zinc/75/63/96/1104756396.db2.gz HDHPUYPCTABLEO-QAPCUYQASA-N 2 1 314.473 3.017 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246972294 1104756518 /nfs/dbraw/zinc/75/65/18/1104756518.db2.gz CWZOLUTXNRPEBV-CZUORRHYSA-N 2 1 308.416 3.144 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246972567 1104756601 /nfs/dbraw/zinc/75/66/01/1104756601.db2.gz KQYYATYZESCREQ-IHPCNDPISA-N 2 1 315.505 3.112 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)CC[NH2+]1 ZINC001246972927 1104756985 /nfs/dbraw/zinc/75/69/85/1104756985.db2.gz KTZBRUFXVORSJB-FGTMMUONSA-N 2 1 317.477 3.154 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246975226 1104757961 /nfs/dbraw/zinc/75/79/61/1104757961.db2.gz NRUYASFWMHHBPZ-SHPPOPEUSA-N 2 1 312.379 3.306 20 0 DGADMP COc1cccc(C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246974365 1104758347 /nfs/dbraw/zinc/75/83/47/1104758347.db2.gz RCWLXRCBOLJYJI-WBVHZDCISA-N 2 1 302.462 3.090 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246976459 1104758440 /nfs/dbraw/zinc/75/84/40/1104758440.db2.gz QKEOWRWKDSKOHV-CJNGLKHVSA-N 2 1 308.416 3.144 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccncc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975497 1104758749 /nfs/dbraw/zinc/75/87/49/1104758749.db2.gz UHTUAUZMERMLCO-XMTFNYHQSA-N 2 1 317.477 3.152 20 0 DGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246980233 1104761381 /nfs/dbraw/zinc/76/13/81/1104761381.db2.gz QRHGMSAXLRRUBO-ROUUACIJSA-N 2 1 316.514 3.179 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](CC(=O)OCC)[C@H](C)C2)CC[NH2+]1 ZINC001246986299 1104763319 /nfs/dbraw/zinc/76/33/19/1104763319.db2.gz HEPJYUFJMPDYHY-BRSBDYLESA-N 2 1 324.509 3.208 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](CC(=O)OCC)[C@H](C)C2)CC[NH2+]1 ZINC001246986312 1104763726 /nfs/dbraw/zinc/76/37/26/1104763726.db2.gz HEPJYUFJMPDYHY-XMTFNYHQSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CC(C)(C)C1 ZINC001246988466 1104764848 /nfs/dbraw/zinc/76/48/48/1104764848.db2.gz HLQBQVVAEPMHKK-VQIMIIECSA-N 2 1 321.553 3.349 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470948 1104769275 /nfs/dbraw/zinc/76/92/75/1104769275.db2.gz HNYGUQLHORXXRT-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2c(Cl)cccc2C1 ZINC001247001147 1104771037 /nfs/dbraw/zinc/77/10/37/1104771037.db2.gz JBLWJKKBFYDEPM-YPAMNDHTSA-N 2 1 304.865 3.399 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cc(Cl)ccc2C1 ZINC001247000258 1104771712 /nfs/dbraw/zinc/77/17/12/1104771712.db2.gz GQQUYDVVFIVSJE-VLJRLGTLSA-N 2 1 304.865 3.399 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003046 1104772536 /nfs/dbraw/zinc/77/25/36/1104772536.db2.gz MPZGTTMAQKYXLW-WBMRYOJMSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003046 1104772539 /nfs/dbraw/zinc/77/25/39/1104772539.db2.gz MPZGTTMAQKYXLW-WBMRYOJMSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003040 1104772681 /nfs/dbraw/zinc/77/26/81/1104772681.db2.gz MPZGTTMAQKYXLW-BYMSMCERSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003040 1104772685 /nfs/dbraw/zinc/77/26/85/1104772685.db2.gz MPZGTTMAQKYXLW-BYMSMCERSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003045 1104773225 /nfs/dbraw/zinc/77/32/25/1104773225.db2.gz MPZGTTMAQKYXLW-QOOGKBOQSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003045 1104773232 /nfs/dbraw/zinc/77/32/32/1104773232.db2.gz MPZGTTMAQKYXLW-QOOGKBOQSA-N 2 1 305.853 3.064 20 0 DGADMP CC[C@H]1C[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCO1 ZINC001247007373 1104774569 /nfs/dbraw/zinc/77/45/69/1104774569.db2.gz WIFOPJOGHWGSDE-MSOLQXFVSA-N 2 1 314.473 3.081 20 0 DGADMP COc1cc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC001275815377 1104918884 /nfs/dbraw/zinc/91/88/84/1104918884.db2.gz UUGCMMFVILKTFJ-LJQANCHMSA-N 2 1 318.461 3.012 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1C ZINC001275823094 1104922902 /nfs/dbraw/zinc/92/29/02/1104922902.db2.gz WQZSWSWRSZHELR-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1C ZINC001275823094 1104922906 /nfs/dbraw/zinc/92/29/06/1104922906.db2.gz WQZSWSWRSZHELR-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1C ZINC001275823094 1104922909 /nfs/dbraw/zinc/92/29/09/1104922909.db2.gz WQZSWSWRSZHELR-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1C ZINC001275823094 1104922912 /nfs/dbraw/zinc/92/29/12/1104922912.db2.gz WQZSWSWRSZHELR-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(O)cc1)Cc1ccccc12 ZINC001275892871 1104945666 /nfs/dbraw/zinc/94/56/66/1104945666.db2.gz YOXHFNQHKIVXMK-UHFFFAOYSA-N 2 1 322.452 3.371 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001275912112 1104953568 /nfs/dbraw/zinc/95/35/68/1104953568.db2.gz LFDGZLNHFSNZMV-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP CCc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001275915967 1104956273 /nfs/dbraw/zinc/95/62/73/1104956273.db2.gz FNLBOOIDVTZXGU-UHFFFAOYSA-N 2 1 324.472 3.070 20 0 DGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001247692860 1104957632 /nfs/dbraw/zinc/95/76/32/1104957632.db2.gz IPKVLRCXANVAQB-NSHDSACASA-N 2 1 315.204 3.172 20 0 DGADMP Cn1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001275959564 1104968060 /nfs/dbraw/zinc/96/80/60/1104968060.db2.gz DQACWUCQUUDOJV-UHFFFAOYSA-N 2 1 311.473 3.486 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1C ZINC001275967452 1104970882 /nfs/dbraw/zinc/97/08/82/1104970882.db2.gz QDWPKVNFQXJAOT-UHFFFAOYSA-N 2 1 324.472 3.125 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032928 1104991940 /nfs/dbraw/zinc/99/19/40/1104991940.db2.gz QQOUYFFXSHFWNB-FUHWJXTLSA-N 2 1 323.484 3.374 20 0 DGADMP C[C@H]1C[C@@H]1C[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032928 1104991942 /nfs/dbraw/zinc/99/19/42/1104991942.db2.gz QQOUYFFXSHFWNB-FUHWJXTLSA-N 2 1 323.484 3.374 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)C[C@H]2CC1 ZINC001276032911 1104992186 /nfs/dbraw/zinc/99/21/86/1104992186.db2.gz QOHCWVWGISUVPI-LLLHUVSDSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@H]2CC1 ZINC001276032911 1104992191 /nfs/dbraw/zinc/99/21/91/1104992191.db2.gz QOHCWVWGISUVPI-LLLHUVSDSA-N 2 1 319.518 3.251 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@H]2CC1 ZINC001276032911 1104992197 /nfs/dbraw/zinc/99/21/97/1104992197.db2.gz QOHCWVWGISUVPI-LLLHUVSDSA-N 2 1 319.518 3.251 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032927 1104992262 /nfs/dbraw/zinc/99/22/62/1104992262.db2.gz QQOUYFFXSHFWNB-AEFFLSMTSA-N 2 1 323.484 3.374 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001276032927 1104992267 /nfs/dbraw/zinc/99/22/67/1104992267.db2.gz QQOUYFFXSHFWNB-AEFFLSMTSA-N 2 1 323.484 3.374 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3coc(-c4ccccc4)n3)C[C@H]2CC1 ZINC001276091105 1105014728 /nfs/dbraw/zinc/01/47/28/1105014728.db2.gz KKUDSLQQZNZYDD-CALCHBBNSA-N 2 1 311.429 3.115 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)C[C@H]2CC1 ZINC001276091105 1105014734 /nfs/dbraw/zinc/01/47/34/1105014734.db2.gz KKUDSLQQZNZYDD-CALCHBBNSA-N 2 1 311.429 3.115 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)C[C@H]2CC1 ZINC001276091105 1105014742 /nfs/dbraw/zinc/01/47/42/1105014742.db2.gz KKUDSLQQZNZYDD-CALCHBBNSA-N 2 1 311.429 3.115 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)c(Cl)cc3F)C[C@H]2CC1 ZINC001276103650 1105018523 /nfs/dbraw/zinc/01/85/23/1105018523.db2.gz SOUMPTVQIYWQAD-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3F)C[C@H]2CC1 ZINC001276103650 1105018531 /nfs/dbraw/zinc/01/85/31/1105018531.db2.gz SOUMPTVQIYWQAD-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)c(Cl)cc3F)C[C@H]2CC1 ZINC001276103650 1105018535 /nfs/dbraw/zinc/01/85/35/1105018535.db2.gz SOUMPTVQIYWQAD-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(OC(F)F)cc1)CC2 ZINC001276154769 1105032374 /nfs/dbraw/zinc/03/23/74/1105032374.db2.gz FCKDDIWQZGIAHD-UHFFFAOYSA-N 2 1 310.388 3.206 20 0 DGADMP Cc1nccnc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001276164255 1105034463 /nfs/dbraw/zinc/03/44/63/1105034463.db2.gz YJVTUSRECJDEOL-RBUKOAKNSA-N 2 1 314.477 3.252 20 0 DGADMP Cc1ncoc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276212013 1105049542 /nfs/dbraw/zinc/04/95/42/1105049542.db2.gz JWNCCQXGCQNZTA-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1ncoc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276212013 1105049550 /nfs/dbraw/zinc/04/95/50/1105049550.db2.gz JWNCCQXGCQNZTA-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1ncoc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276212013 1105049555 /nfs/dbraw/zinc/04/95/55/1105049555.db2.gz JWNCCQXGCQNZTA-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1C ZINC001276228094 1105055166 /nfs/dbraw/zinc/05/51/66/1105055166.db2.gz HLUPNUQHGYDYOK-UHFFFAOYSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1cnccc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276257108 1105065416 /nfs/dbraw/zinc/06/54/16/1105065416.db2.gz SHYSBZMLEMNQNA-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c(F)cc1F ZINC001248194707 1105066343 /nfs/dbraw/zinc/06/63/43/1105066343.db2.gz MNNXVCLFTILCQZ-AWEZNQCLSA-N 2 1 324.375 3.055 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001248964668 1105204805 /nfs/dbraw/zinc/20/48/05/1105204805.db2.gz ZKWZVCOUZIKPBA-MRXNPFEDSA-N 2 1 314.433 3.345 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001249406049 1105281125 /nfs/dbraw/zinc/28/11/25/1105281125.db2.gz GANRRIMPEJXNEP-INIZCTEOSA-N 2 1 320.525 3.486 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC001137329632 1105487401 /nfs/dbraw/zinc/48/74/01/1105487401.db2.gz HXGXSKUOUYKUGY-RTBURBONSA-N 2 1 309.457 3.195 20 0 DGADMP CC[N@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252916764 1105853647 /nfs/dbraw/zinc/85/36/47/1105853647.db2.gz HWLAASQASFMRRK-NRFANRHFSA-N 2 1 324.468 3.146 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252916764 1105853651 /nfs/dbraw/zinc/85/36/51/1105853651.db2.gz HWLAASQASFMRRK-NRFANRHFSA-N 2 1 324.468 3.146 20 0 DGADMP CC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252916764 1105853657 /nfs/dbraw/zinc/85/36/57/1105853657.db2.gz HWLAASQASFMRRK-NRFANRHFSA-N 2 1 324.468 3.146 20 0 DGADMP CC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252916764 1105853661 /nfs/dbraw/zinc/85/36/61/1105853661.db2.gz HWLAASQASFMRRK-NRFANRHFSA-N 2 1 324.468 3.146 20 0 DGADMP C=Cc1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252947346 1105858192 /nfs/dbraw/zinc/85/81/92/1105858192.db2.gz ZUHGOVTUDJUAMX-NRFANRHFSA-N 2 1 322.452 3.056 20 0 DGADMP C=Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252947346 1105858200 /nfs/dbraw/zinc/85/82/00/1105858200.db2.gz ZUHGOVTUDJUAMX-NRFANRHFSA-N 2 1 322.452 3.056 20 0 DGADMP C=Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252947346 1105858208 /nfs/dbraw/zinc/85/82/08/1105858208.db2.gz ZUHGOVTUDJUAMX-NRFANRHFSA-N 2 1 322.452 3.056 20 0 DGADMP CCC1([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC001252947305 1105858233 /nfs/dbraw/zinc/85/82/33/1105858233.db2.gz ZNFJWXGLIZRNJD-HXUWFJFHSA-N 2 1 316.489 3.326 20 0 DGADMP CCC1([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC001252947305 1105858241 /nfs/dbraw/zinc/85/82/41/1105858241.db2.gz ZNFJWXGLIZRNJD-HXUWFJFHSA-N 2 1 316.489 3.326 20 0 DGADMP O[C@@]1(C[NH2+]CCCC2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252946006 1105858430 /nfs/dbraw/zinc/85/84/30/1105858430.db2.gz LRNKBXLRLUYAQW-HXUWFJFHSA-N 2 1 316.489 3.183 20 0 DGADMP O[C@@]1(C[NH2+]CCCC2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946006 1105858437 /nfs/dbraw/zinc/85/84/37/1105858437.db2.gz LRNKBXLRLUYAQW-HXUWFJFHSA-N 2 1 316.489 3.183 20 0 DGADMP CC1(C)CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252950343 1105859623 /nfs/dbraw/zinc/85/96/23/1105859623.db2.gz JUDZOESDSSSZQK-QUCCMNQESA-N 2 1 316.489 3.039 20 0 DGADMP CC1(C)CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252950343 1105859627 /nfs/dbraw/zinc/85/96/27/1105859627.db2.gz JUDZOESDSSSZQK-QUCCMNQESA-N 2 1 316.489 3.039 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@](C)(O)c1ccccc1 ZINC001253103288 1105888801 /nfs/dbraw/zinc/88/88/01/1105888801.db2.gz COZIUXRMLOKNQT-UFYCRDLUSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC001253103288 1105888805 /nfs/dbraw/zinc/88/88/05/1105888805.db2.gz COZIUXRMLOKNQT-UFYCRDLUSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@](C)(O)c1ccccc1 ZINC001253103288 1105888810 /nfs/dbraw/zinc/88/88/10/1105888810.db2.gz COZIUXRMLOKNQT-UFYCRDLUSA-N 2 1 316.489 3.233 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001253192796 1105900907 /nfs/dbraw/zinc/90/09/07/1105900907.db2.gz XXMLHQKJMWMXLQ-OALUTQOASA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC001253213807 1105903311 /nfs/dbraw/zinc/90/33/11/1105903311.db2.gz MJHMQIJGDHPKIU-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC001253209581 1105903662 /nfs/dbraw/zinc/90/36/62/1105903662.db2.gz GKZGJNMXKXCVNO-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1ccc(F)cc1 ZINC001253410348 1105936472 /nfs/dbraw/zinc/93/64/72/1105936472.db2.gz HMPSVGNDDSUTJW-IRXDYDNUSA-N 2 1 308.441 3.006 20 0 DGADMP CC(C)[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001253769277 1105982945 /nfs/dbraw/zinc/98/29/45/1105982945.db2.gz YPKLEAXKGFUEFL-SFHVURJKSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001253769277 1105982953 /nfs/dbraw/zinc/98/29/53/1105982953.db2.gz YPKLEAXKGFUEFL-SFHVURJKSA-N 2 1 324.896 3.253 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)C2CCC(F)(F)CC2)CC1 ZINC001254215543 1106036730 /nfs/dbraw/zinc/03/67/30/1106036730.db2.gz NGCHQJGBEJINQN-HDJSIYSDSA-N 2 1 316.436 3.315 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254223634 1106039050 /nfs/dbraw/zinc/03/90/50/1106039050.db2.gz MSWBZNBFWDIAJT-MRXNPFEDSA-N 2 1 316.436 3.140 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254223634 1106039058 /nfs/dbraw/zinc/03/90/58/1106039058.db2.gz MSWBZNBFWDIAJT-MRXNPFEDSA-N 2 1 316.436 3.140 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)C2CCC3(CC3)CC2)CC1 ZINC001254437752 1106069981 /nfs/dbraw/zinc/06/99/81/1106069981.db2.gz HUASNGLBULMXOA-WKILWMFISA-N 2 1 306.494 3.460 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC001254496955 1106082067 /nfs/dbraw/zinc/08/20/67/1106082067.db2.gz BDHCMWFNUWILFH-AWEZNQCLSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC001254496955 1106082070 /nfs/dbraw/zinc/08/20/70/1106082070.db2.gz BDHCMWFNUWILFH-AWEZNQCLSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC001254505479 1106084972 /nfs/dbraw/zinc/08/49/72/1106084972.db2.gz HBDMXIJEWZKQAB-HNNXBMFYSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC001254504806 1106085793 /nfs/dbraw/zinc/08/57/93/1106085793.db2.gz WLLYKPHJPLAGPP-GFCCVEGCSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001254503800 1106085907 /nfs/dbraw/zinc/08/59/07/1106085907.db2.gz PIVMGRXDKREKLX-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001254503800 1106085911 /nfs/dbraw/zinc/08/59/11/1106085911.db2.gz PIVMGRXDKREKLX-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001254503655 1106085937 /nfs/dbraw/zinc/08/59/37/1106085937.db2.gz OLKJHNZUMGJTSY-LBPRGKRZSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001254503655 1106085942 /nfs/dbraw/zinc/08/59/42/1106085942.db2.gz OLKJHNZUMGJTSY-LBPRGKRZSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511055 1106086692 /nfs/dbraw/zinc/08/66/92/1106086692.db2.gz UDXHQPHNWFQSMQ-OAHLLOKOSA-N 2 1 322.880 3.420 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511055 1106086698 /nfs/dbraw/zinc/08/66/98/1106086698.db2.gz UDXHQPHNWFQSMQ-OAHLLOKOSA-N 2 1 322.880 3.420 20 0 DGADMP COc1ccccc1CC1([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254510948 1106087768 /nfs/dbraw/zinc/08/77/68/1106087768.db2.gz RVHIBOZXISZSJU-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@H+]1CCC[C@@H](n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001254514893 1106088524 /nfs/dbraw/zinc/08/85/24/1106088524.db2.gz QDYIKNZUTOEECI-CQSZACIVSA-N 2 1 305.853 3.453 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513419 1106089116 /nfs/dbraw/zinc/08/91/16/1106089116.db2.gz YUPQXKJYMBBHBB-FHWLQOOXSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513419 1106089120 /nfs/dbraw/zinc/08/91/20/1106089120.db2.gz YUPQXKJYMBBHBB-FHWLQOOXSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513419 1106089125 /nfs/dbraw/zinc/08/91/25/1106089125.db2.gz YUPQXKJYMBBHBB-FHWLQOOXSA-N 3 1 307.526 3.233 20 0 DGADMP CN1CCC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513419 1106089131 /nfs/dbraw/zinc/08/91/31/1106089131.db2.gz YUPQXKJYMBBHBB-FHWLQOOXSA-N 2 1 307.526 3.233 20 0 DGADMP CN1CCC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513419 1106089137 /nfs/dbraw/zinc/08/91/37/1106089137.db2.gz YUPQXKJYMBBHBB-FHWLQOOXSA-N 2 1 307.526 3.233 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254522882 1106089527 /nfs/dbraw/zinc/08/95/27/1106089527.db2.gz KGSLCEVQRSIYMM-QFBILLFUSA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254522882 1106089534 /nfs/dbraw/zinc/08/95/34/1106089534.db2.gz KGSLCEVQRSIYMM-QFBILLFUSA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254522882 1106089538 /nfs/dbraw/zinc/08/95/38/1106089538.db2.gz KGSLCEVQRSIYMM-QFBILLFUSA-N 2 1 318.461 3.023 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516169 1106089858 /nfs/dbraw/zinc/08/98/58/1106089858.db2.gz JROQCPZMDOZBQP-CQSZACIVSA-N 2 1 315.383 3.059 20 0 DGADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516169 1106089864 /nfs/dbraw/zinc/08/98/64/1106089864.db2.gz JROQCPZMDOZBQP-CQSZACIVSA-N 2 1 315.383 3.059 20 0 DGADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516169 1106089870 /nfs/dbraw/zinc/08/98/70/1106089870.db2.gz JROQCPZMDOZBQP-CQSZACIVSA-N 2 1 315.383 3.059 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001254524403 1106092245 /nfs/dbraw/zinc/09/22/45/1106092245.db2.gz BRULPEFKOONMPN-XKGZKEIXSA-N 2 1 316.489 3.476 20 0 DGADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001254524403 1106092251 /nfs/dbraw/zinc/09/22/51/1106092251.db2.gz BRULPEFKOONMPN-XKGZKEIXSA-N 2 1 316.489 3.476 20 0 DGADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001254524403 1106092259 /nfs/dbraw/zinc/09/22/59/1106092259.db2.gz BRULPEFKOONMPN-XKGZKEIXSA-N 2 1 316.489 3.476 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001254531048 1106097071 /nfs/dbraw/zinc/09/70/71/1106097071.db2.gz IXMJKQLFKIXRCW-INIZCTEOSA-N 2 1 312.457 3.091 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001254531048 1106097078 /nfs/dbraw/zinc/09/70/78/1106097078.db2.gz IXMJKQLFKIXRCW-INIZCTEOSA-N 2 1 312.457 3.091 20 0 DGADMP CC(C)(C)C[N@@H+](C1C[C@H]2CC(=O)C[C@@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254938581 1106157856 /nfs/dbraw/zinc/15/78/56/1106157856.db2.gz HPDNFLFGNOUJQN-VGWMRTNUSA-N 2 1 306.494 3.362 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4CCSCC4)C[C@H]3C2)c1 ZINC001255089036 1106176250 /nfs/dbraw/zinc/17/62/50/1106176250.db2.gz LKWNHVSSHLTDJX-ZIAGYGMSSA-N 2 1 308.516 3.007 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255109073 1106181727 /nfs/dbraw/zinc/18/17/27/1106181727.db2.gz NLGPSLCFKPPVME-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP C[N@@H+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255137426 1106187753 /nfs/dbraw/zinc/18/77/53/1106187753.db2.gz RIEFIOIEMNVORQ-ACDBMABISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137426 1106187757 /nfs/dbraw/zinc/18/77/57/1106187757.db2.gz RIEFIOIEMNVORQ-ACDBMABISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137426 1106187762 /nfs/dbraw/zinc/18/77/62/1106187762.db2.gz RIEFIOIEMNVORQ-ACDBMABISA-N 2 1 314.473 3.293 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+]([C@@H]2CCSC2)C3)cc1 ZINC001255294453 1106217514 /nfs/dbraw/zinc/21/75/14/1106217514.db2.gz OLFDOKDDAVWDBS-MOPGFXCFSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+]([C@@H]2CCSC2)C3)cc1 ZINC001255294453 1106217516 /nfs/dbraw/zinc/21/75/16/1106217516.db2.gz OLFDOKDDAVWDBS-MOPGFXCFSA-N 2 1 316.514 3.480 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255338487 1106226061 /nfs/dbraw/zinc/22/60/61/1106226061.db2.gz ILNIBWVSEMYXOH-WBVHZDCISA-N 2 1 310.482 3.092 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCc3cccnc3)CC2)cc1 ZINC001255383049 1106237967 /nfs/dbraw/zinc/23/79/67/1106237967.db2.gz ZHEJOERSSGRHEC-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC001255383715 1106238002 /nfs/dbraw/zinc/23/80/02/1106238002.db2.gz MNAOBMMLEWYARC-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385451 1106238456 /nfs/dbraw/zinc/23/84/56/1106238456.db2.gz HQQJFCLUBXCMIB-VQIMIIECSA-N 2 1 310.445 3.182 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385451 1106238466 /nfs/dbraw/zinc/23/84/66/1106238466.db2.gz HQQJFCLUBXCMIB-VQIMIIECSA-N 2 1 310.445 3.182 20 0 DGADMP O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396623 1106240188 /nfs/dbraw/zinc/24/01/88/1106240188.db2.gz KULQDZAYZGCWBG-HSALFYBXSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393833 1106240356 /nfs/dbraw/zinc/24/03/56/1106240356.db2.gz RQRNIAOKFWSOAL-IBGZPJMESA-N 2 1 304.478 3.446 20 0 DGADMP COC[C@H]1CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255396743 1106240874 /nfs/dbraw/zinc/24/08/74/1106240874.db2.gz BJOPDCZBYZICTM-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255396743 1106240876 /nfs/dbraw/zinc/24/08/76/1106240876.db2.gz BJOPDCZBYZICTM-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396743 1106240878 /nfs/dbraw/zinc/24/08/78/1106240878.db2.gz BJOPDCZBYZICTM-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393834 1106241700 /nfs/dbraw/zinc/24/17/00/1106241700.db2.gz RQRNIAOKFWSOAL-LJQANCHMSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@]1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H](O)CC1 ZINC001255395478 1106241714 /nfs/dbraw/zinc/24/17/14/1106241714.db2.gz AUFKCILGGCDQLA-VAMGGRTRSA-N 2 1 316.489 3.324 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCC4(COC4)CC3)CC2)cc1 ZINC001255399238 1106242325 /nfs/dbraw/zinc/24/23/25/1106242325.db2.gz PJIQNVOFFMELMF-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCC4(COC4)CC3)CC2)cc1 ZINC001255399238 1106242329 /nfs/dbraw/zinc/24/23/29/1106242329.db2.gz PJIQNVOFFMELMF-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001255398261 1106243007 /nfs/dbraw/zinc/24/30/07/1106243007.db2.gz JEPLEHAPQULEHM-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001255398261 1106243010 /nfs/dbraw/zinc/24/30/10/1106243010.db2.gz JEPLEHAPQULEHM-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001255398261 1106243015 /nfs/dbraw/zinc/24/30/15/1106243015.db2.gz JEPLEHAPQULEHM-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP CCC[N@@H+](CCOC)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399346 1106243420 /nfs/dbraw/zinc/24/34/20/1106243420.db2.gz QGJFFUHVQOHRJO-IBGZPJMESA-N 2 1 304.478 3.400 20 0 DGADMP CCC[NH+](CCOC)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399346 1106243424 /nfs/dbraw/zinc/24/34/24/1106243424.db2.gz QGJFFUHVQOHRJO-IBGZPJMESA-N 2 1 304.478 3.400 20 0 DGADMP CCC[NH+](CCOC)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399346 1106243426 /nfs/dbraw/zinc/24/34/26/1106243426.db2.gz QGJFFUHVQOHRJO-IBGZPJMESA-N 2 1 304.478 3.400 20 0 DGADMP C[C@@H]1COCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398289 1106243780 /nfs/dbraw/zinc/24/37/80/1106243780.db2.gz JLZPKYHFEDRWSE-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1COCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398289 1106243782 /nfs/dbraw/zinc/24/37/82/1106243782.db2.gz JLZPKYHFEDRWSE-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1COCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398289 1106243785 /nfs/dbraw/zinc/24/37/85/1106243785.db2.gz JLZPKYHFEDRWSE-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255405002 1106244334 /nfs/dbraw/zinc/24/43/34/1106244334.db2.gz MDQIQXWAHNXBMB-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255405002 1106244338 /nfs/dbraw/zinc/24/43/38/1106244338.db2.gz MDQIQXWAHNXBMB-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255405002 1106244341 /nfs/dbraw/zinc/24/43/41/1106244341.db2.gz MDQIQXWAHNXBMB-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405002 1106244345 /nfs/dbraw/zinc/24/43/45/1106244345.db2.gz MDQIQXWAHNXBMB-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255405002 1106244349 /nfs/dbraw/zinc/24/43/49/1106244349.db2.gz MDQIQXWAHNXBMB-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001255406479 1106245827 /nfs/dbraw/zinc/24/58/27/1106245827.db2.gz SONKURISOQBIGK-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001255406479 1106245830 /nfs/dbraw/zinc/24/58/30/1106245830.db2.gz SONKURISOQBIGK-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001255406479 1106245832 /nfs/dbraw/zinc/24/58/32/1106245832.db2.gz SONKURISOQBIGK-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407495 1106246762 /nfs/dbraw/zinc/24/67/62/1106246762.db2.gz AVGQCZSTBFJMGA-VJANTYMQSA-N 2 1 302.437 3.473 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407495 1106246765 /nfs/dbraw/zinc/24/67/65/1106246765.db2.gz AVGQCZSTBFJMGA-VJANTYMQSA-N 2 1 302.437 3.473 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407495 1106246773 /nfs/dbraw/zinc/24/67/73/1106246773.db2.gz AVGQCZSTBFJMGA-VJANTYMQSA-N 2 1 302.437 3.473 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408089 1106247328 /nfs/dbraw/zinc/24/73/28/1106247328.db2.gz HYNLSZXGFWEFNE-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408089 1106247332 /nfs/dbraw/zinc/24/73/32/1106247332.db2.gz HYNLSZXGFWEFNE-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408089 1106247334 /nfs/dbraw/zinc/24/73/34/1106247334.db2.gz HYNLSZXGFWEFNE-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408089 1106247337 /nfs/dbraw/zinc/24/73/37/1106247337.db2.gz HYNLSZXGFWEFNE-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCN(C)C2)cc1 ZINC001255476506 1106256761 /nfs/dbraw/zinc/25/67/61/1106256761.db2.gz DWINQKWLOMLJQX-UFYCRDLUSA-N 2 1 315.505 3.161 20 0 DGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 ZINC001255637381 1106281433 /nfs/dbraw/zinc/28/14/33/1106281433.db2.gz JAPGQZZSSYEMIG-GFCCVEGCSA-N 2 1 301.356 3.289 20 0 DGADMP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)CC(F)(F)F)CC2)cc1 ZINC001255643411 1106282991 /nfs/dbraw/zinc/28/29/91/1106282991.db2.gz FVMQUCURQAFCPY-LBPRGKRZSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cccc(OC)c1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255668060 1106290190 /nfs/dbraw/zinc/29/01/90/1106290190.db2.gz CWRFZYOKVFHCER-HNSVSWJLSA-N 2 1 318.461 3.370 20 0 DGADMP COc1cccc(OC)c1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668060 1106290193 /nfs/dbraw/zinc/29/01/93/1106290193.db2.gz CWRFZYOKVFHCER-HNSVSWJLSA-N 2 1 318.461 3.370 20 0 DGADMP CCOC(=O)c1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255671308 1106291113 /nfs/dbraw/zinc/29/11/13/1106291113.db2.gz JDLMBNVBDNCTGH-GOOCMWNKSA-N 2 1 322.474 3.030 20 0 DGADMP COc1cccnc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255672443 1106291991 /nfs/dbraw/zinc/29/19/91/1106291991.db2.gz GNJOYQZDQDRYRF-YCXXCVGLSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccnc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255672443 1106291994 /nfs/dbraw/zinc/29/19/94/1106291994.db2.gz GNJOYQZDQDRYRF-YCXXCVGLSA-N 2 1 315.461 3.146 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255676782 1106292767 /nfs/dbraw/zinc/29/27/67/1106292767.db2.gz NGYLHXRUVUNIMG-HZXAIDLKSA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255676782 1106292770 /nfs/dbraw/zinc/29/27/70/1106292770.db2.gz NGYLHXRUVUNIMG-HZXAIDLKSA-N 3 1 307.526 3.244 20 0 DGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC001255893729 1106340159 /nfs/dbraw/zinc/34/01/59/1106340159.db2.gz NTOVXDYATFRDGW-INIZCTEOSA-N 2 1 322.493 3.059 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Br)nc1 ZINC001255941533 1106343628 /nfs/dbraw/zinc/34/36/28/1106343628.db2.gz STTIIFSRUPTUTR-LBPRGKRZSA-N 2 1 314.271 3.054 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC001255942916 1106345278 /nfs/dbraw/zinc/34/52/78/1106345278.db2.gz JDNMLXMOBIKQBS-CABCVRRESA-N 2 1 308.466 3.475 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccc(C(=O)OC)cc1 ZINC001255941470 1106345492 /nfs/dbraw/zinc/34/54/92/1106345492.db2.gz RNMLSCLTGZPOQM-HUUCEWRRSA-N 2 1 306.450 3.244 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001255951519 1106348204 /nfs/dbraw/zinc/34/82/04/1106348204.db2.gz QAWRQWPVYXFKNK-KRWDZBQOSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001255952338 1106348336 /nfs/dbraw/zinc/34/83/36/1106348336.db2.gz UIEFSKMHRFIFIF-QGZVFWFLSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1cccnc1OC)C1CC1 ZINC001255954572 1106348929 /nfs/dbraw/zinc/34/89/29/1106348929.db2.gz XTTSRLSPLYTSAZ-YOEHRIQHSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001255955778 1106349808 /nfs/dbraw/zinc/34/98/08/1106349808.db2.gz DNNCPNBYTHCSJU-KKUMJFAQSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001255955778 1106349811 /nfs/dbraw/zinc/34/98/11/1106349811.db2.gz DNNCPNBYTHCSJU-KKUMJFAQSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001255955994 1106350277 /nfs/dbraw/zinc/35/02/77/1106350277.db2.gz YVWLDVOEECRYLL-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001255955994 1106350280 /nfs/dbraw/zinc/35/02/80/1106350280.db2.gz YVWLDVOEECRYLL-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001255960897 1106350928 /nfs/dbraw/zinc/35/09/28/1106350928.db2.gz JOTQDIBGHCZNHP-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001255960897 1106350931 /nfs/dbraw/zinc/35/09/31/1106350931.db2.gz JOTQDIBGHCZNHP-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP COc1ccc(CC(C)(C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256071951 1106364384 /nfs/dbraw/zinc/36/43/84/1106364384.db2.gz DQWIDIPEYLKLDS-UHFFFAOYSA-N 2 1 302.462 3.233 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001256069678 1106364579 /nfs/dbraw/zinc/36/45/79/1106364579.db2.gz MBURUAHPAVZULP-QGZVFWFLSA-N 2 1 304.865 3.414 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001256155397 1106380532 /nfs/dbraw/zinc/38/05/32/1106380532.db2.gz GNMRQVIVEOIWTR-JTDSTZFVSA-N 2 1 304.478 3.335 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001256220862 1106392765 /nfs/dbraw/zinc/39/27/65/1106392765.db2.gz QWTWOJZQZYTOKP-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001256220862 1106392768 /nfs/dbraw/zinc/39/27/68/1106392768.db2.gz QWTWOJZQZYTOKP-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2)cn1 ZINC001256324954 1106405771 /nfs/dbraw/zinc/40/57/71/1106405771.db2.gz ROXSROHMLSQBDF-QUCCMNQESA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2)cn1 ZINC001256324954 1106405773 /nfs/dbraw/zinc/40/57/73/1106405773.db2.gz ROXSROHMLSQBDF-QUCCMNQESA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2)cn1 ZINC001256324954 1106405776 /nfs/dbraw/zinc/40/57/76/1106405776.db2.gz ROXSROHMLSQBDF-QUCCMNQESA-N 2 1 324.472 3.003 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001256416832 1106418270 /nfs/dbraw/zinc/41/82/70/1106418270.db2.gz FDTCSIIUEAEJNW-YSIASYRMSA-N 2 1 321.468 3.076 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001256416832 1106418271 /nfs/dbraw/zinc/41/82/71/1106418271.db2.gz FDTCSIIUEAEJNW-YSIASYRMSA-N 2 1 321.468 3.076 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001256416832 1106418272 /nfs/dbraw/zinc/41/82/72/1106418272.db2.gz FDTCSIIUEAEJNW-YSIASYRMSA-N 2 1 321.468 3.076 20 0 DGADMP C[C@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522173 1106432723 /nfs/dbraw/zinc/43/27/23/1106432723.db2.gz FABPUYINZCZKQL-QWFCFKBJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522171 1106433000 /nfs/dbraw/zinc/43/30/00/1106433000.db2.gz FABPUYINZCZKQL-HBFSDRIKSA-N 2 1 315.505 3.113 20 0 DGADMP CCCN(CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522165 1106433658 /nfs/dbraw/zinc/43/36/58/1106433658.db2.gz DZYMHBKFAQDFSB-MJGOQNOKSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522165 1106433660 /nfs/dbraw/zinc/43/36/60/1106433660.db2.gz DZYMHBKFAQDFSB-MJGOQNOKSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256522165 1106433661 /nfs/dbraw/zinc/43/36/61/1106433661.db2.gz DZYMHBKFAQDFSB-MJGOQNOKSA-N 2 1 303.494 3.100 20 0 DGADMP C[C@H]1C[C@H](NC(C)(C)C(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529297 1106434562 /nfs/dbraw/zinc/43/45/62/1106434562.db2.gz SANWKZJRCLTZAW-DOTOQJQBSA-N 2 1 303.494 3.145 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529090 1106434623 /nfs/dbraw/zinc/43/46/23/1106434623.db2.gz QCTWMYCNFMKPFR-DYESRHJHSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529090 1106434625 /nfs/dbraw/zinc/43/46/25/1106434625.db2.gz QCTWMYCNFMKPFR-DYESRHJHSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535736 1106436630 /nfs/dbraw/zinc/43/66/30/1106436630.db2.gz AKBWLPUNLDSKDS-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535736 1106436632 /nfs/dbraw/zinc/43/66/32/1106436632.db2.gz AKBWLPUNLDSKDS-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535736 1106436634 /nfs/dbraw/zinc/43/66/34/1106436634.db2.gz AKBWLPUNLDSKDS-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535736 1106436636 /nfs/dbraw/zinc/43/66/36/1106436636.db2.gz AKBWLPUNLDSKDS-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](O)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536050 1106436644 /nfs/dbraw/zinc/43/66/44/1106436644.db2.gz BZFRXKOHRPNRGF-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](O)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536050 1106436646 /nfs/dbraw/zinc/43/66/46/1106436646.db2.gz BZFRXKOHRPNRGF-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536050 1106436650 /nfs/dbraw/zinc/43/66/50/1106436650.db2.gz BZFRXKOHRPNRGF-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536050 1106436652 /nfs/dbraw/zinc/43/66/52/1106436652.db2.gz BZFRXKOHRPNRGF-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H](N2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538610 1106437549 /nfs/dbraw/zinc/43/75/49/1106437549.db2.gz UNMKXKRDFMQNPO-FXAWDEMLSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256539785 1106438335 /nfs/dbraw/zinc/43/83/35/1106438335.db2.gz WWKVHTRKXVRYJC-VBSBHUPXSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256539785 1106438338 /nfs/dbraw/zinc/43/83/38/1106438338.db2.gz WWKVHTRKXVRYJC-VBSBHUPXSA-N 2 1 314.473 3.198 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256538675 1106438400 /nfs/dbraw/zinc/43/84/00/1106438400.db2.gz VBCFRZSKACBIFC-UYAOXDASSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256545862 1106438898 /nfs/dbraw/zinc/43/88/98/1106438898.db2.gz VPHMUWPODTUORU-PNYFIKQUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256545862 1106438900 /nfs/dbraw/zinc/43/89/00/1106438900.db2.gz VPHMUWPODTUORU-PNYFIKQUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256545862 1106438902 /nfs/dbraw/zinc/43/89/02/1106438902.db2.gz VPHMUWPODTUORU-PNYFIKQUSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCC3(COC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542584 1106439573 /nfs/dbraw/zinc/43/95/73/1106439573.db2.gz PEHONKGNKWXDFH-IEBWSBKVSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542584 1106439577 /nfs/dbraw/zinc/43/95/77/1106439577.db2.gz PEHONKGNKWXDFH-IEBWSBKVSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542584 1106439578 /nfs/dbraw/zinc/43/95/78/1106439578.db2.gz PEHONKGNKWXDFH-IEBWSBKVSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256542584 1106439581 /nfs/dbraw/zinc/43/95/81/1106439581.db2.gz PEHONKGNKWXDFH-IEBWSBKVSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544414 1106439905 /nfs/dbraw/zinc/43/99/05/1106439905.db2.gz YCRPUDFAPCTOLO-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544414 1106439907 /nfs/dbraw/zinc/43/99/07/1106439907.db2.gz YCRPUDFAPCTOLO-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](CO)CC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544414 1106439909 /nfs/dbraw/zinc/43/99/09/1106439909.db2.gz YCRPUDFAPCTOLO-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](CO)CC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544414 1106439912 /nfs/dbraw/zinc/43/99/12/1106439912.db2.gz YCRPUDFAPCTOLO-IZBJGVDFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256558061 1106443593 /nfs/dbraw/zinc/44/35/93/1106443593.db2.gz HXRMCAIQHRMYLU-CALCHBBNSA-N 2 1 309.542 3.207 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556291 1106444046 /nfs/dbraw/zinc/44/40/46/1106444046.db2.gz YLZFRKYRISTIGW-QQXMDYFESA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556291 1106444048 /nfs/dbraw/zinc/44/40/48/1106444048.db2.gz YLZFRKYRISTIGW-QQXMDYFESA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556291 1106444051 /nfs/dbraw/zinc/44/40/51/1106444051.db2.gz YLZFRKYRISTIGW-QQXMDYFESA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001256556291 1106444052 /nfs/dbraw/zinc/44/40/52/1106444052.db2.gz YLZFRKYRISTIGW-QQXMDYFESA-N 2 1 314.473 3.006 20 0 DGADMP CC(C)(C)N1CCC([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001256562606 1106445938 /nfs/dbraw/zinc/44/59/38/1106445938.db2.gz XPZMMPSKBAYGNV-QFBILLFUSA-N 2 1 309.542 3.383 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001256600637 1106451494 /nfs/dbraw/zinc/45/14/94/1106451494.db2.gz ZHVWIOSJBMYZBX-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP CCCC[N@@H+](C)CCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC001256597345 1106451903 /nfs/dbraw/zinc/45/19/03/1106451903.db2.gz YLIHWOWOENQDLA-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP CCCC[N@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001256597345 1106451909 /nfs/dbraw/zinc/45/19/09/1106451909.db2.gz YLIHWOWOENQDLA-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001256597345 1106451914 /nfs/dbraw/zinc/45/19/14/1106451914.db2.gz YLIHWOWOENQDLA-UHFFFAOYSA-N 2 1 317.521 3.363 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001256604563 1106452268 /nfs/dbraw/zinc/45/22/68/1106452268.db2.gz SGLKVEIIAUKEPS-YLJYHZDGSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001256604563 1106452274 /nfs/dbraw/zinc/45/22/74/1106452274.db2.gz SGLKVEIIAUKEPS-YLJYHZDGSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(CO)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604811 1106453075 /nfs/dbraw/zinc/45/30/75/1106453075.db2.gz WIGNLLFWXCRONS-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(CO)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604811 1106453076 /nfs/dbraw/zinc/45/30/76/1106453076.db2.gz WIGNLLFWXCRONS-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001256604834 1106453089 /nfs/dbraw/zinc/45/30/89/1106453089.db2.gz XIAXTKWMROGYTK-FXAWDEMLSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001256604834 1106453090 /nfs/dbraw/zinc/45/30/90/1106453090.db2.gz XIAXTKWMROGYTK-FXAWDEMLSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC4(C3)CCOCC4)CC2)cc1 ZINC001256610685 1106453956 /nfs/dbraw/zinc/45/39/56/1106453956.db2.gz FYRZAHUNOHSVNC-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CCC4(C3)CCOCC4)CC2)cc1 ZINC001256610685 1106453958 /nfs/dbraw/zinc/45/39/58/1106453958.db2.gz FYRZAHUNOHSVNC-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP COc1cccc2c1CC[C@H]([NH+]1CCC([N@H+](C)C3CC3)CC1)C2 ZINC001256655867 1106464080 /nfs/dbraw/zinc/46/40/80/1106464080.db2.gz CIBKSSONBBJMHT-SFHVURJKSA-N 2 1 314.473 3.111 20 0 DGADMP COc1cccc2c1CC[C@H]([NH+]1CCC([N@@H+](C)C3CC3)CC1)C2 ZINC001256655867 1106464083 /nfs/dbraw/zinc/46/40/83/1106464083.db2.gz CIBKSSONBBJMHT-SFHVURJKSA-N 2 1 314.473 3.111 20 0 DGADMP C[C@H](Cc1ccncc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256730883 1106475090 /nfs/dbraw/zinc/47/50/90/1106475090.db2.gz IUHYXRQWEZSIKN-YVWKXTFCSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256789165 1106483188 /nfs/dbraw/zinc/48/31/88/1106483188.db2.gz GCNLVPONMZITQH-VJANTYMQSA-N 2 1 302.462 3.369 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC001256826142 1106492086 /nfs/dbraw/zinc/49/20/86/1106492086.db2.gz RXJGMSNJOZMRIH-RBUKOAKNSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@@H+](Cc1cnc(Cl)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855384 1106498045 /nfs/dbraw/zinc/49/80/45/1106498045.db2.gz KTHAJQNXULICRH-UHFFFAOYSA-N 2 1 322.865 3.292 20 0 DGADMP [NH3+]CCCN(C1CCCCC1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256897235 1106504547 /nfs/dbraw/zinc/50/45/47/1106504547.db2.gz HKAZXQFXMMMHKX-LJQANCHMSA-N 2 1 307.526 3.377 20 0 DGADMP Cc1ccnc(CCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256900776 1106506342 /nfs/dbraw/zinc/50/63/42/1106506342.db2.gz AUJLSLRJUCFQQF-GOSISDBHSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1ccnc(CCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256900776 1106506344 /nfs/dbraw/zinc/50/63/44/1106506344.db2.gz AUJLSLRJUCFQQF-GOSISDBHSA-N 2 1 301.478 3.319 20 0 DGADMP C1CCC([NH+]2CCC(N[C@H]3CCC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001256904097 1106506774 /nfs/dbraw/zinc/50/67/74/1106506774.db2.gz HJOLKTRITICBQD-SFHVURJKSA-N 2 1 319.537 3.390 20 0 DGADMP [NH3+]CCc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2cccnc12 ZINC001256902030 1106507148 /nfs/dbraw/zinc/50/71/48/1106507148.db2.gz OKAUXACDNFVZIV-QGZVFWFLSA-N 2 1 312.461 3.117 20 0 DGADMP CC(C)(Cc1ccccn1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908459 1106509263 /nfs/dbraw/zinc/50/92/63/1106509263.db2.gz KYWIVWLJHWHXQN-QGZVFWFLSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)(Cc1ccccn1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908459 1106509269 /nfs/dbraw/zinc/50/92/69/1106509269.db2.gz KYWIVWLJHWHXQN-QGZVFWFLSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)(C)OC(=O)C(C)(C)C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908938 1106509393 /nfs/dbraw/zinc/50/93/93/1106509393.db2.gz OZVDZXYWMZIMDZ-OAHLLOKOSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)(C)OC(=O)C(C)(C)C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908938 1106509395 /nfs/dbraw/zinc/50/93/95/1106509395.db2.gz OZVDZXYWMZIMDZ-OAHLLOKOSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)(C)C[NH+]1CCC(N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256907787 1106509725 /nfs/dbraw/zinc/50/97/25/1106509725.db2.gz IJQPBCRCCUVAQI-SFHVURJKSA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911320 1106510342 /nfs/dbraw/zinc/51/03/42/1106510342.db2.gz LQTQRLFJPMKBCS-LMMKCTJWSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911320 1106510346 /nfs/dbraw/zinc/51/03/46/1106510346.db2.gz LQTQRLFJPMKBCS-LMMKCTJWSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911320 1106510349 /nfs/dbraw/zinc/51/03/49/1106510349.db2.gz LQTQRLFJPMKBCS-LMMKCTJWSA-N 2 1 307.526 3.102 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257049570 1106530578 /nfs/dbraw/zinc/53/05/78/1106530578.db2.gz XIVIBQJXBAZPSU-QBPKDAKJSA-N 2 1 324.509 3.336 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001257059914 1106531421 /nfs/dbraw/zinc/53/14/21/1106531421.db2.gz IPEZZXAQXKYIDO-SQNIBIBYSA-N 2 1 322.493 3.059 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001257202258 1106550663 /nfs/dbraw/zinc/55/06/63/1106550663.db2.gz LZQBOWVYJYZYSP-UHFFFAOYSA-N 3 1 315.505 3.245 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)n2C)CC1 ZINC001257202116 1106550714 /nfs/dbraw/zinc/55/07/14/1106550714.db2.gz RBVAPZIVSTZVKP-UHFFFAOYSA-N 2 1 303.372 3.006 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257212834 1106552377 /nfs/dbraw/zinc/55/23/77/1106552377.db2.gz ANPRRFGNTSARKJ-MRXNPFEDSA-N 2 1 302.462 3.357 20 0 DGADMP COc1cncc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)c1 ZINC001257212893 1106552943 /nfs/dbraw/zinc/55/29/43/1106552943.db2.gz BRGGEYALZWXFDQ-GOSISDBHSA-N 2 1 303.450 3.004 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257223139 1106554631 /nfs/dbraw/zinc/55/46/31/1106554631.db2.gz KTPSTTLYKLLSDN-GOSISDBHSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257223139 1106554632 /nfs/dbraw/zinc/55/46/32/1106554632.db2.gz KTPSTTLYKLLSDN-GOSISDBHSA-N 2 1 317.477 3.106 20 0 DGADMP CCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001257308066 1106565215 /nfs/dbraw/zinc/56/52/15/1106565215.db2.gz FHOKSLSLDNYMGA-KRWDZBQOSA-N 2 1 303.494 3.102 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(CC)CC)C1 ZINC001257380862 1106577544 /nfs/dbraw/zinc/57/75/44/1106577544.db2.gz FRTPBZVYEMUGPM-CVEARBPZSA-N 2 1 312.498 3.351 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(CC)CC)C1 ZINC001257380862 1106577546 /nfs/dbraw/zinc/57/75/46/1106577546.db2.gz FRTPBZVYEMUGPM-CVEARBPZSA-N 2 1 312.498 3.351 20 0 DGADMP CCCCOC(=O)CC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001257402027 1106582187 /nfs/dbraw/zinc/58/21/87/1106582187.db2.gz GMWFMEJOWGSXDG-AWEZNQCLSA-N 2 1 307.438 3.035 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001257441077 1106590603 /nfs/dbraw/zinc/59/06/03/1106590603.db2.gz UTYAMOMAQVQAKG-HZPDHXFCSA-N 2 1 306.450 3.133 20 0 DGADMP CCCCC[C@@H](C)[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257515713 1106601064 /nfs/dbraw/zinc/60/10/64/1106601064.db2.gz UGAJIJXAXXWHMY-MRXNPFEDSA-N 2 1 321.513 3.293 20 0 DGADMP CCCCC[C@@H](C)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257515713 1106601066 /nfs/dbraw/zinc/60/10/66/1106601066.db2.gz UGAJIJXAXXWHMY-MRXNPFEDSA-N 2 1 321.513 3.293 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257684931 1106621550 /nfs/dbraw/zinc/62/15/50/1106621550.db2.gz YWCWBCQGNZOAAQ-GBESFXJTSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257684931 1106621551 /nfs/dbraw/zinc/62/15/51/1106621551.db2.gz YWCWBCQGNZOAAQ-GBESFXJTSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257684931 1106621552 /nfs/dbraw/zinc/62/15/52/1106621552.db2.gz YWCWBCQGNZOAAQ-GBESFXJTSA-N 2 1 316.514 3.336 20 0 DGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(OCc3ccccc3)CC2)C1 ZINC001257821435 1106631642 /nfs/dbraw/zinc/63/16/42/1106631642.db2.gz IWIRSHIFPBWHGD-VIQWUECVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829145 1106632140 /nfs/dbraw/zinc/63/21/40/1106632140.db2.gz IRRHDQOCRRNUQT-SGZDXZSOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829145 1106632142 /nfs/dbraw/zinc/63/21/42/1106632142.db2.gz IRRHDQOCRRNUQT-SGZDXZSOSA-N 2 1 316.489 3.444 20 0 DGADMP COC(=O)C1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001257866319 1106636802 /nfs/dbraw/zinc/63/68/02/1106636802.db2.gz LPAKRQULWYEUHB-ZGUYJTEBSA-N 2 1 322.493 3.057 20 0 DGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257909813 1106645992 /nfs/dbraw/zinc/64/59/92/1106645992.db2.gz NUOHQIGIBDBADU-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP CC(C)CN1CCC([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001258003619 1106655749 /nfs/dbraw/zinc/65/57/49/1106655749.db2.gz NRFONKOZTNFGLT-PKOBYXMFSA-N 2 1 309.542 3.240 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001258017535 1106659404 /nfs/dbraw/zinc/65/94/04/1106659404.db2.gz KZQQLKNXAVIALV-KRWDZBQOSA-N 2 1 324.509 3.303 20 0 DGADMP CCC[NH+](CCC)CC[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258021424 1106660076 /nfs/dbraw/zinc/66/00/76/1106660076.db2.gz QWOAALNNLSKFRO-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258020271 1106660084 /nfs/dbraw/zinc/66/00/84/1106660084.db2.gz DDLUJZVJWONBDF-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258020271 1106660085 /nfs/dbraw/zinc/66/00/85/1106660085.db2.gz DDLUJZVJWONBDF-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(CC(=O)OCC)CC1 ZINC001258036728 1106663265 /nfs/dbraw/zinc/66/32/65/1106663265.db2.gz BNUKAJLGZUGVSY-UHFFFAOYSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258112131 1106674434 /nfs/dbraw/zinc/67/44/34/1106674434.db2.gz HUFRPKVJNRZAKP-XIRDDKMYSA-N 2 1 310.482 3.090 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258127495 1106678397 /nfs/dbraw/zinc/67/83/97/1106678397.db2.gz SKROMGADYUMNFG-MSOLQXFVSA-N 2 1 324.509 3.449 20 0 DGADMP [NH3+]CCCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136801 1106680232 /nfs/dbraw/zinc/68/02/32/1106680232.db2.gz TZBAOOBYABDUEA-UHFFFAOYSA-N 3 1 317.521 3.192 20 0 DGADMP C[C@@H](Cc1ccco1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258181836 1106689288 /nfs/dbraw/zinc/68/92/88/1106689288.db2.gz HXMNBDVYGWYRLF-AWEZNQCLSA-N 2 1 302.393 3.300 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258183169 1106689786 /nfs/dbraw/zinc/68/97/86/1106689786.db2.gz JEHBUEDOMBRMHC-BQFCYCMXSA-N 2 1 313.445 3.378 20 0 DGADMP CSCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258216812 1106699925 /nfs/dbraw/zinc/69/99/25/1106699925.db2.gz IQWUVZHOQVLTQW-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CSCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258216812 1106699927 /nfs/dbraw/zinc/69/99/27/1106699927.db2.gz IQWUVZHOQVLTQW-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CSCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258216812 1106699929 /nfs/dbraw/zinc/69/99/29/1106699929.db2.gz IQWUVZHOQVLTQW-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP CSCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258216812 1106699931 /nfs/dbraw/zinc/69/99/31/1106699931.db2.gz IQWUVZHOQVLTQW-SOUVJXGZSA-N 2 1 310.532 3.253 20 0 DGADMP COC(=O)CC[C@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258359340 1106722810 /nfs/dbraw/zinc/72/28/10/1106722810.db2.gz YDGDOKHMCPSMNI-SZMVWBNQSA-N 2 1 324.509 3.480 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001258405414 1106732332 /nfs/dbraw/zinc/73/23/32/1106732332.db2.gz DHRSLGMNWDEYOS-QGZVFWFLSA-N 2 1 316.489 3.434 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258491403 1106777871 /nfs/dbraw/zinc/77/78/71/1106777871.db2.gz KQEPTFKLVZFEQS-MRXNPFEDSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258491403 1106777882 /nfs/dbraw/zinc/77/78/82/1106777882.db2.gz KQEPTFKLVZFEQS-MRXNPFEDSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258496631 1106780100 /nfs/dbraw/zinc/78/01/00/1106780100.db2.gz UHOHGBZMRJMXHP-SJORKVTESA-N 2 1 310.482 3.059 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001258500741 1106782782 /nfs/dbraw/zinc/78/27/82/1106782782.db2.gz NXBLTKQGPYPXAW-MRXNPFEDSA-N 2 1 324.509 3.447 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001316943312 1106796933 /nfs/dbraw/zinc/79/69/33/1106796933.db2.gz IQQCVNZTWDAGAK-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001316943312 1106796944 /nfs/dbraw/zinc/79/69/44/1106796944.db2.gz IQQCVNZTWDAGAK-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001316943312 1106796958 /nfs/dbraw/zinc/79/69/58/1106796958.db2.gz IQQCVNZTWDAGAK-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)(C)OC(=O)C1([NH2+][C@H]2CCC(C)(C)C2)CCC([NH3+])CC1 ZINC001258595452 1106835756 /nfs/dbraw/zinc/83/57/56/1106835756.db2.gz WMHGRJSNUWHCDD-FVRSWCFKSA-N 2 1 310.482 3.137 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600152 1106840917 /nfs/dbraw/zinc/84/09/17/1106840917.db2.gz GVOPZIGNZOOCMB-HKUYNNGSSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600152 1106840931 /nfs/dbraw/zinc/84/09/31/1106840931.db2.gz GVOPZIGNZOOCMB-HKUYNNGSSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600152 1106840950 /nfs/dbraw/zinc/84/09/50/1106840950.db2.gz GVOPZIGNZOOCMB-HKUYNNGSSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600152 1106840971 /nfs/dbraw/zinc/84/09/71/1106840971.db2.gz GVOPZIGNZOOCMB-HKUYNNGSSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H](Cc1cccnc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001258629697 1106868258 /nfs/dbraw/zinc/86/82/58/1106868258.db2.gz GGYXOCWEWXEJIP-NQIIRXRSSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001258629697 1106868272 /nfs/dbraw/zinc/86/82/72/1106868272.db2.gz GGYXOCWEWXEJIP-NQIIRXRSSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258629697 1106868286 /nfs/dbraw/zinc/86/82/86/1106868286.db2.gz GGYXOCWEWXEJIP-NQIIRXRSSA-N 2 1 323.484 3.467 20 0 DGADMP CCCC[C@@H](CCC)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001258760727 1106960061 /nfs/dbraw/zinc/96/00/61/1106960061.db2.gz CAMMBGKXZWJWST-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[C@@H](CCC)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001258760727 1106960069 /nfs/dbraw/zinc/96/00/69/1106960069.db2.gz CAMMBGKXZWJWST-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001258774585 1106966813 /nfs/dbraw/zinc/96/68/13/1106966813.db2.gz SMYAMVPBGVXATA-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001258774585 1106966823 /nfs/dbraw/zinc/96/68/23/1106966823.db2.gz SMYAMVPBGVXATA-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)CC1 ZINC001258775952 1106970459 /nfs/dbraw/zinc/97/04/59/1106970459.db2.gz LYHIWZVNVNWFRI-OAHLLOKOSA-N 2 1 320.481 3.247 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)CC1 ZINC001258775952 1106970469 /nfs/dbraw/zinc/97/04/69/1106970469.db2.gz LYHIWZVNVNWFRI-OAHLLOKOSA-N 2 1 320.481 3.247 20 0 DGADMP C[C@H]1CCC[C@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001258820864 1107000470 /nfs/dbraw/zinc/00/04/70/1107000470.db2.gz PPPCDHFZJNRPIU-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820864 1107000486 /nfs/dbraw/zinc/00/04/86/1107000486.db2.gz PPPCDHFZJNRPIU-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820864 1107000493 /nfs/dbraw/zinc/00/04/93/1107000493.db2.gz PPPCDHFZJNRPIU-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258824854 1107008813 /nfs/dbraw/zinc/00/88/13/1107008813.db2.gz UDPLPDHDBXUJTJ-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258824854 1107008828 /nfs/dbraw/zinc/00/88/28/1107008828.db2.gz UDPLPDHDBXUJTJ-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258824854 1107008841 /nfs/dbraw/zinc/00/88/41/1107008841.db2.gz UDPLPDHDBXUJTJ-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258884056 1107035482 /nfs/dbraw/zinc/03/54/82/1107035482.db2.gz RFPQNPHHDWLZGU-LEUOFYLZSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258884056 1107035496 /nfs/dbraw/zinc/03/54/96/1107035496.db2.gz RFPQNPHHDWLZGU-LEUOFYLZSA-N 2 1 302.462 3.231 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258898059 1107047547 /nfs/dbraw/zinc/04/75/47/1107047547.db2.gz FRJXAGISBOKYEW-CEXWTWQISA-N 2 1 311.558 3.455 20 0 DGADMP CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258900665 1107048930 /nfs/dbraw/zinc/04/89/30/1107048930.db2.gz BVPIXGUIMYNUMN-RDJZCZTQSA-N 2 1 312.498 3.208 20 0 DGADMP CCOC(=O)C[C@@H]1CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001258907371 1107054450 /nfs/dbraw/zinc/05/44/50/1107054450.db2.gz JUNHTENKZHNKDI-SJORKVTESA-N 2 1 312.498 3.162 20 0 DGADMP CCCCC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C(=O)OC ZINC001258907740 1107054696 /nfs/dbraw/zinc/05/46/96/1107054696.db2.gz TVYMRTKAFJMUEV-HOTGVXAUSA-N 2 1 300.487 3.208 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001258907144 1107055383 /nfs/dbraw/zinc/05/53/83/1107055383.db2.gz GORCXROUKQVEOA-RBSFLKMASA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]([C@@H](N)C(F)(F)F)C1 ZINC001258907237 1107056056 /nfs/dbraw/zinc/05/60/56/1107056056.db2.gz OUQMMLUQYNIXBD-SOUVJXGZSA-N 2 1 323.447 3.099 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000489987102 1107353228 /nfs/dbraw/zinc/35/32/28/1107353228.db2.gz GMSBWMKBUUCFTG-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000489987102 1107353243 /nfs/dbraw/zinc/35/32/43/1107353243.db2.gz GMSBWMKBUUCFTG-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001317484995 1107441486 /nfs/dbraw/zinc/44/14/86/1107441486.db2.gz WBBCAWJWSQIRPL-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317484995 1107441490 /nfs/dbraw/zinc/44/14/90/1107441490.db2.gz WBBCAWJWSQIRPL-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001317484995 1107441493 /nfs/dbraw/zinc/44/14/93/1107441493.db2.gz WBBCAWJWSQIRPL-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC001261482274 1107443013 /nfs/dbraw/zinc/44/30/13/1107443013.db2.gz HCNUDXZBPQJXBV-UHFFFAOYSA-N 2 1 322.522 3.144 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC001262198011 1107648380 /nfs/dbraw/zinc/64/83/80/1107648380.db2.gz CZVOOQUJDJUFIH-IPELMVKDSA-N 2 1 303.494 3.272 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(C4CC4)s3)C[C@@H]2C1 ZINC001262379284 1107708063 /nfs/dbraw/zinc/70/80/63/1107708063.db2.gz WMBLGHBUTFDKKF-SOUVJXGZSA-N 2 1 305.491 3.183 20 0 DGADMP [NH3+]C[C@@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)C1CCCCCC1 ZINC001262384254 1107710785 /nfs/dbraw/zinc/71/07/85/1107710785.db2.gz ZNYYREWCCJCKTD-CVEARBPZSA-N 2 1 314.433 3.130 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1-c1ccccc1 ZINC001322629049 1107720516 /nfs/dbraw/zinc/72/05/16/1107720516.db2.gz DSJUJRLYIBRALG-INIZCTEOSA-N 2 1 312.461 3.317 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC001262671413 1107774627 /nfs/dbraw/zinc/77/46/27/1107774627.db2.gz CXGDJCVYXWOMGX-DFQSSKMNSA-N 2 1 307.441 3.216 20 0 DGADMP Cn1c[nH+]cc1C1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001262727696 1107791609 /nfs/dbraw/zinc/79/16/09/1107791609.db2.gz WUDHOLCCPFIBTB-UHFFFAOYSA-N 2 1 310.323 3.218 20 0 DGADMP CC[N@@H+]1CC[C@H](N(C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520207 1107996144 /nfs/dbraw/zinc/99/61/44/1107996144.db2.gz JTHLCPVTWOOJIT-PBHICJAKSA-N 2 1 306.425 3.061 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520207 1107996155 /nfs/dbraw/zinc/99/61/55/1107996155.db2.gz JTHLCPVTWOOJIT-PBHICJAKSA-N 2 1 306.425 3.061 20 0 DGADMP C[C@@H]1CCc2nc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)sc2C1 ZINC001324456060 1108296375 /nfs/dbraw/zinc/29/63/75/1108296375.db2.gz NKSFSZMCETWXIU-IIAWOOMASA-N 2 1 319.518 3.184 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489158 1108311377 /nfs/dbraw/zinc/31/13/77/1108311377.db2.gz OKVLQHVXGHXEDF-BHYGNILZSA-N 2 1 316.445 3.128 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489158 1108311389 /nfs/dbraw/zinc/31/13/89/1108311389.db2.gz OKVLQHVXGHXEDF-BHYGNILZSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489158 1108311401 /nfs/dbraw/zinc/31/14/01/1108311401.db2.gz OKVLQHVXGHXEDF-BHYGNILZSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC001324489158 1108311415 /nfs/dbraw/zinc/31/14/15/1108311415.db2.gz OKVLQHVXGHXEDF-BHYGNILZSA-N 2 1 316.445 3.128 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388605166 1108576744 /nfs/dbraw/zinc/57/67/44/1108576744.db2.gz LBELYQXKJLATFB-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1cccc(C[NH3+])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388605166 1108576760 /nfs/dbraw/zinc/57/67/60/1108576760.db2.gz LBELYQXKJLATFB-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1cccc(C[NH3+])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388605166 1108576768 /nfs/dbraw/zinc/57/67/68/1108576768.db2.gz LBELYQXKJLATFB-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP [NH3+]CC[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000393870260 1109067029 /nfs/dbraw/zinc/06/70/29/1109067029.db2.gz FRYSVKXBSQIAJY-RBUKOAKNSA-N 2 1 321.468 3.214 20 0 DGADMP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001282678234 1109549908 /nfs/dbraw/zinc/54/99/08/1109549908.db2.gz PTVLSSSQJOYIFH-JKCVZHOFSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001307723461 1111331764 /nfs/dbraw/zinc/33/17/64/1111331764.db2.gz GVRZVFINYGDACT-IBGZPJMESA-N 2 1 318.505 3.428 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001307723461 1111331768 /nfs/dbraw/zinc/33/17/68/1111331768.db2.gz GVRZVFINYGDACT-IBGZPJMESA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001308041446 1111370250 /nfs/dbraw/zinc/37/02/50/1111370250.db2.gz UFXHGHZYUXYGEO-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001308041446 1111370255 /nfs/dbraw/zinc/37/02/55/1111370255.db2.gz UFXHGHZYUXYGEO-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001308090311 1111376068 /nfs/dbraw/zinc/37/60/68/1111376068.db2.gz SYWQSGIUBMQHBP-MDASCCDHSA-N 2 1 311.404 3.287 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H](C)[NH+]2CCCCC2)c2ccccn21 ZINC001308217572 1111400019 /nfs/dbraw/zinc/40/00/19/1111400019.db2.gz OEBGTDHKTIOOBX-MRXNPFEDSA-N 2 1 314.477 3.422 20 0 DGADMP CC[N@H+](CC[NH2+][C@H]1CCCc2c(cccc2OC)C1)C(C)C ZINC001308239752 1111403251 /nfs/dbraw/zinc/40/32/51/1111403251.db2.gz FBIMEVJUIJHXHZ-KRWDZBQOSA-N 2 1 304.478 3.263 20 0 DGADMP CC[N@@H+](CC[NH2+][C@H]1CCCc2c(cccc2OC)C1)C(C)C ZINC001308239752 1111403254 /nfs/dbraw/zinc/40/32/54/1111403254.db2.gz FBIMEVJUIJHXHZ-KRWDZBQOSA-N 2 1 304.478 3.263 20 0 DGADMP CC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308253465 1111405299 /nfs/dbraw/zinc/40/52/99/1111405299.db2.gz XLUATRWINQSTOK-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001308293196 1111412400 /nfs/dbraw/zinc/41/24/00/1111412400.db2.gz KFLZDDKBPLWBAQ-BHYGNILZSA-N 2 1 302.462 3.015 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001308293196 1111412403 /nfs/dbraw/zinc/41/24/03/1111412403.db2.gz KFLZDDKBPLWBAQ-BHYGNILZSA-N 2 1 302.462 3.015 20 0 DGADMP Cc1ccc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC001308367874 1111422388 /nfs/dbraw/zinc/42/23/88/1111422388.db2.gz KODWQLQYYIQGTP-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3C(F)(F)F)[C@@H]2C1 ZINC001308553104 1111442371 /nfs/dbraw/zinc/44/23/71/1111442371.db2.gz GXFLBVJLOVWOPF-LNSITVRQSA-N 2 1 316.342 3.274 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001308573302 1111445598 /nfs/dbraw/zinc/44/55/98/1111445598.db2.gz FRLUBQQTNMOLHH-OXQOHEQNSA-N 2 1 313.489 3.485 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3scnc3c2)[C@@H](C)C1 ZINC001308567485 1111445842 /nfs/dbraw/zinc/44/58/42/1111445842.db2.gz HKNPHRFONBVFJA-BBRMVZONSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3scnc3c2)[C@@H](C)C1 ZINC001308567485 1111445844 /nfs/dbraw/zinc/44/58/44/1111445844.db2.gz HKNPHRFONBVFJA-BBRMVZONSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3scnc3c2)[C@@H](C)C1 ZINC001308567485 1111445845 /nfs/dbraw/zinc/44/58/45/1111445845.db2.gz HKNPHRFONBVFJA-BBRMVZONSA-N 2 1 303.475 3.458 20 0 DGADMP CCc1ccc([C@@H](CN[C@H]2CCC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794073 1111475962 /nfs/dbraw/zinc/47/59/62/1111475962.db2.gz UGSPOADUPHWWHW-VQTJNVASSA-N 2 1 317.521 3.316 20 0 DGADMP CCc1ccc([C@@H](CN[C@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794073 1111475964 /nfs/dbraw/zinc/47/59/64/1111475964.db2.gz UGSPOADUPHWWHW-VQTJNVASSA-N 2 1 317.521 3.316 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001316782505 1111766487 /nfs/dbraw/zinc/76/64/87/1111766487.db2.gz JOIDXIONEFMQAM-SQNIBIBYSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001316782505 1111766491 /nfs/dbraw/zinc/76/64/91/1111766491.db2.gz JOIDXIONEFMQAM-SQNIBIBYSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001316782505 1111766494 /nfs/dbraw/zinc/76/64/94/1111766494.db2.gz JOIDXIONEFMQAM-SQNIBIBYSA-N 2 1 323.525 3.019 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000278295131 214073424 /nfs/dbraw/zinc/07/34/24/214073424.db2.gz BQFPULURWUGBTI-MRXNPFEDSA-N 2 1 308.441 3.434 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000278295131 214073426 /nfs/dbraw/zinc/07/34/26/214073426.db2.gz BQFPULURWUGBTI-MRXNPFEDSA-N 2 1 308.441 3.434 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC(C)C ZINC000278298260 214074447 /nfs/dbraw/zinc/07/44/47/214074447.db2.gz RPZCCTSGZUTHEO-ALOPSCKCSA-N 2 1 318.461 3.197 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(C)C ZINC000278298260 214074449 /nfs/dbraw/zinc/07/44/49/214074449.db2.gz RPZCCTSGZUTHEO-ALOPSCKCSA-N 2 1 318.461 3.197 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338187 214099676 /nfs/dbraw/zinc/09/96/76/214099676.db2.gz AETQRYUMBKQMMU-KBPBESRZSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338187 214099680 /nfs/dbraw/zinc/09/96/80/214099680.db2.gz AETQRYUMBKQMMU-KBPBESRZSA-N 2 1 312.404 3.116 20 0 DGADMP Cc1ccccc1C1CC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000278599157 214266592 /nfs/dbraw/zinc/26/65/92/214266592.db2.gz QVJBFWBBBVENRI-LMDPOFIKSA-N 2 1 316.489 3.332 20 0 DGADMP Cc1ccccc1C1CC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000278599157 214266593 /nfs/dbraw/zinc/26/65/93/214266593.db2.gz QVJBFWBBBVENRI-LMDPOFIKSA-N 2 1 316.489 3.332 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000322946763 231213308 /nfs/dbraw/zinc/21/33/08/231213308.db2.gz RUAYXOUFEFHFPG-WBAXXEDZSA-N 2 1 318.461 3.119 20 0 DGADMP CC[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000444598068 529509778 /nfs/dbraw/zinc/50/97/78/529509778.db2.gz PFAKTDHPTLKPKO-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444598068 529509780 /nfs/dbraw/zinc/50/97/80/529509780.db2.gz PFAKTDHPTLKPKO-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444598068 529509783 /nfs/dbraw/zinc/50/97/83/529509783.db2.gz PFAKTDHPTLKPKO-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423209033 290655187 /nfs/dbraw/zinc/65/51/87/290655187.db2.gz ZMUJQKARZMKPGF-GFCCVEGCSA-N 2 1 303.233 3.406 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000319009078 529597056 /nfs/dbraw/zinc/59/70/56/529597056.db2.gz SRJVATRZECKIPI-INIZCTEOSA-N 2 1 308.466 3.475 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000121497549 282210790 /nfs/dbraw/zinc/21/07/90/282210790.db2.gz VLVHYUAFAFFCEN-UONOGXRCSA-N 2 1 318.440 3.384 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000090530648 185300871 /nfs/dbraw/zinc/30/08/71/185300871.db2.gz CSRHDSQFPKBPRR-DZGCQCFKSA-N 2 1 323.444 3.494 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349062 199284075 /nfs/dbraw/zinc/28/40/75/199284075.db2.gz JVJISBSOQIJUPP-YCPHGPKFSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349062 199284077 /nfs/dbraw/zinc/28/40/77/199284077.db2.gz JVJISBSOQIJUPP-YCPHGPKFSA-N 2 1 305.466 3.077 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000261658302 282248782 /nfs/dbraw/zinc/24/87/82/282248782.db2.gz FWUDBSOPYNXRKU-VNTMZGSJSA-N 2 1 315.505 3.190 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000432406366 529721419 /nfs/dbraw/zinc/72/14/19/529721419.db2.gz HKGBKCVFEIQRNW-CABCVRRESA-N 2 1 310.507 3.462 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000432406366 529721421 /nfs/dbraw/zinc/72/14/21/529721421.db2.gz HKGBKCVFEIQRNW-CABCVRRESA-N 2 1 310.507 3.462 20 0 DGADMP CCc1nc(NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000323856625 529730329 /nfs/dbraw/zinc/73/03/29/529730329.db2.gz ZQSNVLUDEPWAQU-MRXNPFEDSA-N 2 1 314.433 3.071 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023319 529801966 /nfs/dbraw/zinc/80/19/66/529801966.db2.gz DYXDMVPCGALBOH-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023319 529801969 /nfs/dbraw/zinc/80/19/69/529801969.db2.gz DYXDMVPCGALBOH-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023319 529801971 /nfs/dbraw/zinc/80/19/71/529801971.db2.gz DYXDMVPCGALBOH-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000429023319 529801972 /nfs/dbraw/zinc/80/19/72/529801972.db2.gz DYXDMVPCGALBOH-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP CN(CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444565764 529887050 /nfs/dbraw/zinc/88/70/50/529887050.db2.gz BHVZDDHOBPEYHA-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000151783202 529892013 /nfs/dbraw/zinc/89/20/13/529892013.db2.gz VHKQVOHCLKORIV-OTWHNJEPSA-N 2 1 316.489 3.302 20 0 DGADMP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2cc(Br)ccc12 ZINC000420208374 529986177 /nfs/dbraw/zinc/98/61/77/529986177.db2.gz QWSUSSVMEBJJPK-SNVBAGLBSA-N 2 1 308.223 3.265 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430955486 530005117 /nfs/dbraw/zinc/00/51/17/530005117.db2.gz APDGFYAYSGNMJZ-GOSISDBHSA-N 2 1 324.468 3.334 20 0 DGADMP C[N@H+](Cc1cnc(-c2ccsc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435439587 530015695 /nfs/dbraw/zinc/01/56/95/530015695.db2.gz VWSYOZTZYDHDMJ-CYBMUJFWSA-N 2 1 307.488 3.446 20 0 DGADMP C[N@@H+](Cc1cnc(-c2ccsc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435439587 530015696 /nfs/dbraw/zinc/01/56/96/530015696.db2.gz VWSYOZTZYDHDMJ-CYBMUJFWSA-N 2 1 307.488 3.446 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCOCCc3ccccc3)C2)C1 ZINC000292930610 530065168 /nfs/dbraw/zinc/06/51/68/530065168.db2.gz IYDZHRXRRQVFSH-FQEVSTJZSA-N 2 1 316.489 3.054 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292930610 530065169 /nfs/dbraw/zinc/06/51/69/530065169.db2.gz IYDZHRXRRQVFSH-FQEVSTJZSA-N 2 1 316.489 3.054 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292930610 530065170 /nfs/dbraw/zinc/06/51/70/530065170.db2.gz IYDZHRXRRQVFSH-FQEVSTJZSA-N 2 1 316.489 3.054 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000415072567 530036549 /nfs/dbraw/zinc/03/65/49/530036549.db2.gz WUSQFSMOZMZDET-UHFFFAOYSA-N 2 1 310.445 3.081 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000435789454 530036647 /nfs/dbraw/zinc/03/66/47/530036647.db2.gz FGGDRVHHQRKZNW-UHFFFAOYSA-N 2 1 324.472 3.425 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587950 530052426 /nfs/dbraw/zinc/05/24/26/530052426.db2.gz BXQIARSGBFDRIH-HXUWFJFHSA-N 3 1 321.553 3.449 20 0 DGADMP CN1CCCC[C@@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587950 530052427 /nfs/dbraw/zinc/05/24/27/530052427.db2.gz BXQIARSGBFDRIH-HXUWFJFHSA-N 2 1 321.553 3.449 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181756352 199348071 /nfs/dbraw/zinc/34/80/71/199348071.db2.gz JIDNMXUPGYMYJH-CJNGLKHVSA-N 2 1 310.869 3.354 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272685383 210090590 /nfs/dbraw/zinc/09/05/90/210090590.db2.gz UINXWFUVYKREQJ-FRYIKTPZSA-N 2 1 316.489 3.038 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272648806 210052468 /nfs/dbraw/zinc/05/24/68/210052468.db2.gz JSUZWSQVSCOKEW-NSHGMRRFSA-N 2 1 318.505 3.285 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000279726655 215094319 /nfs/dbraw/zinc/09/43/19/215094319.db2.gz MXYXYGRTDUICKE-QAPCUYQASA-N 2 1 301.434 3.338 20 0 DGADMP C[N@H+](C[C@@H](O)c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279816392 215170375 /nfs/dbraw/zinc/17/03/75/215170375.db2.gz XTHPWTUFMQNSOI-TZIWHRDSSA-N 2 1 324.468 3.174 20 0 DGADMP C[N@@H+](C[C@@H](O)c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279816392 215170379 /nfs/dbraw/zinc/17/03/79/215170379.db2.gz XTHPWTUFMQNSOI-TZIWHRDSSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@@H](O)c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279816392 215170381 /nfs/dbraw/zinc/17/03/81/215170381.db2.gz XTHPWTUFMQNSOI-TZIWHRDSSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@@H](O)c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279816392 215170385 /nfs/dbraw/zinc/17/03/85/215170385.db2.gz XTHPWTUFMQNSOI-TZIWHRDSSA-N 2 1 324.468 3.174 20 0 DGADMP Brc1csc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868396 432023255 /nfs/dbraw/zinc/02/32/55/432023255.db2.gz VBVMGVMVXYHHBR-VXGBXAGGSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868396 432023258 /nfs/dbraw/zinc/02/32/58/432023258.db2.gz VBVMGVMVXYHHBR-VXGBXAGGSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868396 432023259 /nfs/dbraw/zinc/02/32/59/432023259.db2.gz VBVMGVMVXYHHBR-VXGBXAGGSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868698 432023362 /nfs/dbraw/zinc/02/33/62/432023362.db2.gz GVZATCUNMIPJKX-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868698 432023364 /nfs/dbraw/zinc/02/33/64/432023364.db2.gz GVZATCUNMIPJKX-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868698 432023367 /nfs/dbraw/zinc/02/33/67/432023367.db2.gz GVZATCUNMIPJKX-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000152458694 186075661 /nfs/dbraw/zinc/07/56/61/186075661.db2.gz DJFHKBRLZYAWLK-AEFFLSMTSA-N 2 1 324.472 3.066 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268760034 186381369 /nfs/dbraw/zinc/38/13/69/186381369.db2.gz ZLHBVQBZAINLHY-PXNSSMCTSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268760034 186381371 /nfs/dbraw/zinc/38/13/71/186381371.db2.gz ZLHBVQBZAINLHY-PXNSSMCTSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268760044 186382112 /nfs/dbraw/zinc/38/21/12/186382112.db2.gz ZLHBVQBZAINLHY-YLJYHZDGSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268760044 186382114 /nfs/dbraw/zinc/38/21/14/186382114.db2.gz ZLHBVQBZAINLHY-YLJYHZDGSA-N 2 1 316.489 3.446 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000268762241 186383323 /nfs/dbraw/zinc/38/33/23/186383323.db2.gz HTUVZFREUKKPQK-QGTPRVQTSA-N 2 1 318.461 3.119 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000268762241 186383325 /nfs/dbraw/zinc/38/33/25/186383325.db2.gz HTUVZFREUKKPQK-QGTPRVQTSA-N 2 1 318.461 3.119 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCC(C)C ZINC000072726283 191223431 /nfs/dbraw/zinc/22/34/31/191223431.db2.gz JPPYCTBEEKVRRL-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277156232 213334021 /nfs/dbraw/zinc/33/40/21/213334021.db2.gz FJSXPKWGLXWSPK-WBVHZDCISA-N 2 1 320.477 3.043 20 0 DGADMP C[N@@H+](CCc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975230 198274759 /nfs/dbraw/zinc/27/47/59/198274759.db2.gz MOVXJIDCHQADGD-FQEVSTJZSA-N 2 1 309.457 3.078 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975230 198274761 /nfs/dbraw/zinc/27/47/61/198274761.db2.gz MOVXJIDCHQADGD-FQEVSTJZSA-N 2 1 309.457 3.078 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975230 198274763 /nfs/dbraw/zinc/27/47/63/198274763.db2.gz MOVXJIDCHQADGD-FQEVSTJZSA-N 2 1 309.457 3.078 20 0 DGADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000132308643 432047302 /nfs/dbraw/zinc/04/73/02/432047302.db2.gz XWEWNSPZZRZPSM-WDSOQIARSA-N 2 1 309.542 3.207 20 0 DGADMP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414746454 283106103 /nfs/dbraw/zinc/10/61/03/283106103.db2.gz ZEXAQPQWNAVYCX-IAGOWNOFSA-N 2 1 317.477 3.034 20 0 DGADMP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164521385 432048744 /nfs/dbraw/zinc/04/87/44/432048744.db2.gz XLTVJGJCUDRFMM-GOSISDBHSA-N 2 1 316.445 3.426 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCOC1 ZINC000164957539 432052834 /nfs/dbraw/zinc/05/28/34/432052834.db2.gz FWDYSHBGEJTUDF-JKQORVJESA-N 2 1 308.491 3.146 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCOC1 ZINC000164957539 432052836 /nfs/dbraw/zinc/05/28/36/432052836.db2.gz FWDYSHBGEJTUDF-JKQORVJESA-N 2 1 308.491 3.146 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC000165526232 432056061 /nfs/dbraw/zinc/05/60/61/432056061.db2.gz UEZGSQFWMDFEDK-LESCRADOSA-N 2 1 308.441 3.303 20 0 DGADMP CC[NH+](CC)CCC[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000179381381 432056820 /nfs/dbraw/zinc/05/68/20/432056820.db2.gz AEDYKFNDEXHBTO-UHFFFAOYSA-N 2 1 308.466 3.176 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000179381381 432056821 /nfs/dbraw/zinc/05/68/21/432056821.db2.gz AEDYKFNDEXHBTO-UHFFFAOYSA-N 2 1 308.466 3.176 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Br)s1 ZINC000133309023 432059866 /nfs/dbraw/zinc/05/98/66/432059866.db2.gz HILAQFKQPUYBJW-NSHDSACASA-N 2 1 305.285 3.316 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Br)s1 ZINC000133309023 432059868 /nfs/dbraw/zinc/05/98/68/432059868.db2.gz HILAQFKQPUYBJW-NSHDSACASA-N 2 1 305.285 3.316 20 0 DGADMP CCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000236957718 202093301 /nfs/dbraw/zinc/09/33/01/202093301.db2.gz JIUCVDNVIXCOCZ-INIZCTEOSA-N 2 1 303.450 3.114 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405200 432065480 /nfs/dbraw/zinc/06/54/80/432065480.db2.gz LOMDQTXCJZYURV-NSHDSACASA-N 2 1 304.331 3.405 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000167976310 432067872 /nfs/dbraw/zinc/06/78/72/432067872.db2.gz ALFBYPWQPVAZKM-UHFFFAOYSA-N 2 1 302.340 3.001 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000134089890 432074231 /nfs/dbraw/zinc/07/42/31/432074231.db2.gz IOJUVWBENTWGJM-FLXSYLCISA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000134089890 432074232 /nfs/dbraw/zinc/07/42/32/432074232.db2.gz IOJUVWBENTWGJM-FLXSYLCISA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000134089890 432074233 /nfs/dbraw/zinc/07/42/33/432074233.db2.gz IOJUVWBENTWGJM-FLXSYLCISA-N 2 1 309.542 3.061 20 0 DGADMP CSC[C@H](C)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166017 199126013 /nfs/dbraw/zinc/12/60/13/199126013.db2.gz XHOYDKHOCILWIR-DKIMLUQUSA-N 2 1 304.503 3.238 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180446216 199159780 /nfs/dbraw/zinc/15/97/80/199159780.db2.gz CZUUIHOPULQEOL-PMPSAXMXSA-N 2 1 322.518 3.496 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180486538 199164879 /nfs/dbraw/zinc/16/48/79/199164879.db2.gz AXBHFEAVSFZELG-IAGOWNOFSA-N 2 1 304.478 3.462 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000237342190 202238338 /nfs/dbraw/zinc/23/83/38/202238338.db2.gz MEUZBVQOSMGIPN-RHSMWYFYSA-N 2 1 317.477 3.373 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC000180938497 199230684 /nfs/dbraw/zinc/23/06/84/199230684.db2.gz FQHQUUNDPSZPFX-UYAOXDASSA-N 2 1 318.505 3.264 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@]1(C)C[NH3+] ZINC000415058238 237041263 /nfs/dbraw/zinc/04/12/63/237041263.db2.gz UYQJRBFVHWIDAK-SJKOYZFVSA-N 2 1 318.852 3.147 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415034698 237022266 /nfs/dbraw/zinc/02/22/66/237022266.db2.gz CXCAVQIRFAGQJL-SZVBFZGTSA-N 2 1 302.462 3.263 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415071116 237053181 /nfs/dbraw/zinc/05/31/81/237053181.db2.gz SGEQYVDHWGXYTB-UHFFFAOYSA-N 2 1 318.852 3.066 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C[NH3+] ZINC000415138157 237107246 /nfs/dbraw/zinc/10/72/46/237107246.db2.gz YLPHOCVPHSMETG-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000180363516 432084430 /nfs/dbraw/zinc/08/44/30/432084430.db2.gz MYMNKPGIFJQAAV-KRWDZBQOSA-N 2 1 318.509 3.168 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000180363516 432084432 /nfs/dbraw/zinc/08/44/32/432084432.db2.gz MYMNKPGIFJQAAV-KRWDZBQOSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000237528530 202271889 /nfs/dbraw/zinc/27/18/89/202271889.db2.gz UZRIDEWSXKNOAK-CQSZACIVSA-N 2 1 309.417 3.008 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3[nH]ccc32)C[C@H](C)O1 ZINC000237608445 202302824 /nfs/dbraw/zinc/30/28/24/202302824.db2.gz HZJLNEKYFWGFAB-IYBDPMFKSA-N 2 1 315.461 3.147 20 0 DGADMP COc1ccc(-c2csc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)cc1 ZINC000422826285 237801370 /nfs/dbraw/zinc/80/13/70/237801370.db2.gz QNXSFWRZIWXRBT-SJORKVTESA-N 2 1 302.443 3.393 20 0 DGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000449153896 296007699 /nfs/dbraw/zinc/00/76/99/296007699.db2.gz LLBGLNXWQQEZOH-HNNXBMFYSA-N 2 1 316.445 3.064 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000180516131 432089462 /nfs/dbraw/zinc/08/94/62/432089462.db2.gz FOWFWXNVIHSZSR-QAPCUYQASA-N 2 1 308.441 3.103 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000428266389 238013890 /nfs/dbraw/zinc/01/38/90/238013890.db2.gz KSISWLMPVQJZPF-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000428266389 238013892 /nfs/dbraw/zinc/01/38/92/238013892.db2.gz KSISWLMPVQJZPF-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000428299840 238015004 /nfs/dbraw/zinc/01/50/04/238015004.db2.gz GGOUGMFOSVPLDS-OAHLLOKOSA-N 2 1 316.449 3.295 20 0 DGADMP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000428299840 238015005 /nfs/dbraw/zinc/01/50/05/238015005.db2.gz GGOUGMFOSVPLDS-OAHLLOKOSA-N 2 1 316.449 3.295 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC000429528495 238053740 /nfs/dbraw/zinc/05/37/40/238053740.db2.gz KFZWRMDXDONVHP-HNNXBMFYSA-N 2 1 301.409 3.290 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC000429528495 238053741 /nfs/dbraw/zinc/05/37/41/238053741.db2.gz KFZWRMDXDONVHP-HNNXBMFYSA-N 2 1 301.409 3.290 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000246058282 432090672 /nfs/dbraw/zinc/09/06/72/432090672.db2.gz DCWHTBYFPOCGDJ-JQWIXIFHSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000246058282 432090676 /nfs/dbraw/zinc/09/06/76/432090676.db2.gz DCWHTBYFPOCGDJ-JQWIXIFHSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430555169 238079833 /nfs/dbraw/zinc/07/98/33/238079833.db2.gz SDNUMRJBSAUYLK-STQMWFEESA-N 2 1 316.367 3.143 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430555168 238079900 /nfs/dbraw/zinc/07/99/00/238079900.db2.gz SDNUMRJBSAUYLK-QWHCGFSZSA-N 2 1 316.367 3.143 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000430582884 238081001 /nfs/dbraw/zinc/08/10/01/238081001.db2.gz MCSSDMSFSOGMSX-ZDUSSCGKSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000430582884 238081002 /nfs/dbraw/zinc/08/10/02/238081002.db2.gz MCSSDMSFSOGMSX-ZDUSSCGKSA-N 2 1 316.367 3.288 20 0 DGADMP C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430938368 238090681 /nfs/dbraw/zinc/09/06/81/238090681.db2.gz BNUAYOFGIQPLLF-SWLSCSKDSA-N 2 1 316.367 3.143 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000246072643 432091948 /nfs/dbraw/zinc/09/19/48/432091948.db2.gz FDVBAUVDBYYOEM-WFASDCNBSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000271896452 209305219 /nfs/dbraw/zinc/30/52/19/209305219.db2.gz UEUVBDWKPWKNQC-GFCCVEGCSA-N 2 1 314.351 3.498 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292708897 223211034 /nfs/dbraw/zinc/21/10/34/223211034.db2.gz DALSNMCXEATSHI-HXUWFJFHSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292708897 223211035 /nfs/dbraw/zinc/21/10/35/223211035.db2.gz DALSNMCXEATSHI-HXUWFJFHSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292708897 223211038 /nfs/dbraw/zinc/21/10/38/223211038.db2.gz DALSNMCXEATSHI-HXUWFJFHSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292708897 223211039 /nfs/dbraw/zinc/21/10/39/223211039.db2.gz DALSNMCXEATSHI-HXUWFJFHSA-N 2 1 324.472 3.017 20 0 DGADMP CSC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000193830460 201131628 /nfs/dbraw/zinc/13/16/28/201131628.db2.gz ZZXKLUDPGIGSLM-UHFFFAOYSA-N 2 1 322.493 3.318 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000193951368 201151311 /nfs/dbraw/zinc/15/13/11/201151311.db2.gz OHCJRAPTVVFNJG-GUDVDZBRSA-N 2 1 314.473 3.056 20 0 DGADMP CCOc1ccccc1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441364779 239040551 /nfs/dbraw/zinc/04/05/51/239040551.db2.gz NNKCIYFIIMCDCI-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441364779 239040555 /nfs/dbraw/zinc/04/05/55/239040555.db2.gz NNKCIYFIIMCDCI-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441364779 239040560 /nfs/dbraw/zinc/04/05/60/239040560.db2.gz NNKCIYFIIMCDCI-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441364779 239040564 /nfs/dbraw/zinc/04/05/64/239040564.db2.gz NNKCIYFIIMCDCI-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292883876 223291136 /nfs/dbraw/zinc/29/11/36/223291136.db2.gz CXWICAWYZZZYTA-UHFFFAOYSA-N 2 1 314.414 3.121 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)s1 ZINC000271858603 209273014 /nfs/dbraw/zinc/27/30/14/209273014.db2.gz JVOYDSVITKHSMM-JTQLQIEISA-N 2 1 315.280 3.423 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000442770760 239120163 /nfs/dbraw/zinc/12/01/63/239120163.db2.gz QSRNLVRTXMPFPB-NWDGAFQWSA-N 2 1 305.809 3.164 20 0 DGADMP COCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000442786684 239122569 /nfs/dbraw/zinc/12/25/69/239122569.db2.gz VYRZVDBUAAXMCQ-QGTPRVQTSA-N 2 1 308.441 3.366 20 0 DGADMP COCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000442786684 239122572 /nfs/dbraw/zinc/12/25/72/239122572.db2.gz VYRZVDBUAAXMCQ-QGTPRVQTSA-N 2 1 308.441 3.366 20 0 DGADMP C[C@@H](CCC1CCCCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442872128 239141299 /nfs/dbraw/zinc/14/12/99/239141299.db2.gz JEPNGFGVQACSCL-KRWDZBQOSA-N 2 1 309.542 3.351 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H](C)C1 ZINC000271840982 209260017 /nfs/dbraw/zinc/26/00/17/209260017.db2.gz GRQBDGSRQOOCDM-NGNRUMAMSA-N 2 1 316.489 3.426 20 0 DGADMP C[C@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951665 223324913 /nfs/dbraw/zinc/32/49/13/223324913.db2.gz IRKGUFQJVYQMLR-CUDHKJQZSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951665 223324916 /nfs/dbraw/zinc/32/49/16/223324916.db2.gz IRKGUFQJVYQMLR-CUDHKJQZSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449104754 240019857 /nfs/dbraw/zinc/01/98/57/240019857.db2.gz BCQJWHZEPXPRDL-GFCCVEGCSA-N 2 1 307.438 3.379 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)[nH+]1 ZINC000449140996 240034621 /nfs/dbraw/zinc/03/46/21/240034621.db2.gz KRONMVCPIKJKJW-QGZVFWFLSA-N 2 1 315.461 3.050 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)[nH+]1 ZINC000449140995 240035352 /nfs/dbraw/zinc/03/53/52/240035352.db2.gz KRONMVCPIKJKJW-KRWDZBQOSA-N 2 1 315.461 3.050 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000449150813 240040787 /nfs/dbraw/zinc/04/07/87/240040787.db2.gz UCCILFITWYPIJR-OLMMMNRUSA-N 2 1 302.462 3.368 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000449084073 240008294 /nfs/dbraw/zinc/00/82/94/240008294.db2.gz WJKITFRAWCZRIY-AWRGBYNESA-N 2 1 306.494 3.473 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000449084073 240008297 /nfs/dbraw/zinc/00/82/97/240008297.db2.gz WJKITFRAWCZRIY-AWRGBYNESA-N 2 1 306.494 3.473 20 0 DGADMP COc1cc(F)cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000449082965 240008325 /nfs/dbraw/zinc/00/83/25/240008325.db2.gz RFRZEFAWEMYOIH-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000449092024 240012930 /nfs/dbraw/zinc/01/29/30/240012930.db2.gz KZCFGVVUCPOUCX-HZPDHXFCSA-N 2 1 317.477 3.388 20 0 DGADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C1CCC1 ZINC000449219473 240074011 /nfs/dbraw/zinc/07/40/11/240074011.db2.gz AQFCMMPMRHEYCF-QGZVFWFLSA-N 2 1 302.466 3.231 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449217834 240074383 /nfs/dbraw/zinc/07/43/83/240074383.db2.gz CEKZVAPTLXUHAP-UHFFFAOYSA-N 2 1 318.461 3.202 20 0 DGADMP Cn1cncc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449328065 240134595 /nfs/dbraw/zinc/13/45/95/240134595.db2.gz HXYAXRJEOZTGDS-UHFFFAOYSA-N 2 1 306.498 3.189 20 0 DGADMP C[C@@H](CC(C)(C)O)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000449447572 240210381 /nfs/dbraw/zinc/21/03/81/240210381.db2.gz ADGSPOVIDQHZBO-INIZCTEOSA-N 2 1 306.494 3.284 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449578936 240300850 /nfs/dbraw/zinc/30/08/50/240300850.db2.gz UINXWFUVYKREQJ-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560580 240290680 /nfs/dbraw/zinc/29/06/80/240290680.db2.gz MXTDBHCFLJEGDZ-VNVJMFPYSA-N 2 1 319.537 3.244 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CC2)cc1 ZINC000091333596 193042417 /nfs/dbraw/zinc/04/24/17/193042417.db2.gz XMMVGHGUGMRZOX-HXUWFJFHSA-N 2 1 315.505 3.063 20 0 DGADMP COc1c(C)cnc(C[N@H+](C)CCCCn2cc[nH+]c2C)c1C ZINC000451381138 241103135 /nfs/dbraw/zinc/10/31/35/241103135.db2.gz ZEDQVJQLOACASC-UHFFFAOYSA-N 2 1 316.449 3.124 20 0 DGADMP COc1c(C)cnc(C[N@@H+](C)CCCCn2cc[nH+]c2C)c1C ZINC000451381138 241103142 /nfs/dbraw/zinc/10/31/42/241103142.db2.gz ZEDQVJQLOACASC-UHFFFAOYSA-N 2 1 316.449 3.124 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451812515 241242642 /nfs/dbraw/zinc/24/26/42/241242642.db2.gz QXPVIMSVKNYZBH-GOSISDBHSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1C ZINC000452051289 241306828 /nfs/dbraw/zinc/30/68/28/241306828.db2.gz YSPZBLYSCVNUNJ-UHFFFAOYSA-N 2 1 317.521 3.151 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452058244 241307219 /nfs/dbraw/zinc/30/72/19/241307219.db2.gz HXGBVAXETVSSIT-MRXNPFEDSA-N 2 1 319.474 3.137 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180980781 432110292 /nfs/dbraw/zinc/11/02/92/432110292.db2.gz OFDMLYLVYSEZEZ-GFOFROLCSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180980781 432110296 /nfs/dbraw/zinc/11/02/96/432110296.db2.gz OFDMLYLVYSEZEZ-GFOFROLCSA-N 2 1 310.869 3.488 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000455505493 242219627 /nfs/dbraw/zinc/21/96/27/242219627.db2.gz XFOCWPMZXZEWDH-GOEBONIOSA-N 2 1 318.465 3.343 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456276762 242398417 /nfs/dbraw/zinc/39/84/17/242398417.db2.gz OBEZDIBYYMPKDE-QWQRMKEZSA-N 2 1 315.461 3.047 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246274920 432115155 /nfs/dbraw/zinc/11/51/55/432115155.db2.gz AMPMUAYPGVEGOX-HKUYNNGSSA-N 2 1 316.493 3.002 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246274920 432115160 /nfs/dbraw/zinc/11/51/60/432115160.db2.gz AMPMUAYPGVEGOX-HKUYNNGSSA-N 2 1 316.493 3.002 20 0 DGADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1C[NH+](C)C ZINC000458269118 243013925 /nfs/dbraw/zinc/01/39/25/243013925.db2.gz HBNLJQKLVCVHAF-XHSDSOJGSA-N 2 1 317.477 3.256 20 0 DGADMP FC(F)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459496891 243390290 /nfs/dbraw/zinc/39/02/90/243390290.db2.gz QMVCKPDSTPZFTP-UHFFFAOYSA-N 2 1 317.383 3.432 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCOc2ccc(OC)cc2)CC1 ZINC000109787592 284069931 /nfs/dbraw/zinc/06/99/31/284069931.db2.gz BYHYSPMXEBSUFN-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000092745666 193187788 /nfs/dbraw/zinc/18/77/88/193187788.db2.gz ISRGJKDMRCMMOT-IEBWSBKVSA-N 2 1 309.457 3.297 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC(C)C ZINC000093088710 193201356 /nfs/dbraw/zinc/20/13/56/193201356.db2.gz VPLVMHCUECILIE-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccsc2)[C@@H](C)C1 ZINC000469787560 244123614 /nfs/dbraw/zinc/12/36/14/244123614.db2.gz PNHKSBVTUQNCQL-FUHWJXTLSA-N 2 1 324.534 3.407 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000470010627 244140230 /nfs/dbraw/zinc/14/02/30/244140230.db2.gz ALQUDBUQLUZGBS-CQSZACIVSA-N 2 1 301.459 3.160 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000470010627 244140236 /nfs/dbraw/zinc/14/02/36/244140236.db2.gz ALQUDBUQLUZGBS-CQSZACIVSA-N 2 1 301.459 3.160 20 0 DGADMP COC1CC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000470260539 244163509 /nfs/dbraw/zinc/16/35/09/244163509.db2.gz DMCWFWVRVFFMPX-SVUBNXHSSA-N 2 1 302.462 3.054 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000471835397 244256453 /nfs/dbraw/zinc/25/64/53/244256453.db2.gz NZYKHOGJXAEUFS-AZUAARDMSA-N 2 1 309.457 3.254 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000471835398 244257667 /nfs/dbraw/zinc/25/76/67/244257667.db2.gz NZYKHOGJXAEUFS-ICSRJNTNSA-N 2 1 309.457 3.254 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000472277320 244292657 /nfs/dbraw/zinc/29/26/57/244292657.db2.gz MXBJQLWTWOGVBD-MJGOQNOKSA-N 2 1 304.478 3.223 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058573 212098805 /nfs/dbraw/zinc/09/88/05/212098805.db2.gz YIQKLOFGZXPHRR-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058573 212098807 /nfs/dbraw/zinc/09/88/07/212098807.db2.gz YIQKLOFGZXPHRR-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Br)c1 ZINC000275058573 212098808 /nfs/dbraw/zinc/09/88/08/212098808.db2.gz YIQKLOFGZXPHRR-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Br)c1 ZINC000275058573 212098810 /nfs/dbraw/zinc/09/88/10/212098810.db2.gz YIQKLOFGZXPHRR-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCCOC1 ZINC000472351937 244301287 /nfs/dbraw/zinc/30/12/87/244301287.db2.gz XQKPYFPSDMHNBN-SLFFLAALSA-N 2 1 316.489 3.085 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000093563655 193268696 /nfs/dbraw/zinc/26/86/96/193268696.db2.gz UWVDZNWFWSCMKT-GOSISDBHSA-N 2 1 318.509 3.360 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000093563655 193268698 /nfs/dbraw/zinc/26/86/98/193268698.db2.gz UWVDZNWFWSCMKT-GOSISDBHSA-N 2 1 318.509 3.360 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597556 193273421 /nfs/dbraw/zinc/27/34/21/193273421.db2.gz MBKDUKRMZMLBBK-QGZVFWFLSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597556 193273422 /nfs/dbraw/zinc/27/34/22/193273422.db2.gz MBKDUKRMZMLBBK-QGZVFWFLSA-N 2 1 324.472 3.303 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683495 193288003 /nfs/dbraw/zinc/28/80/03/193288003.db2.gz ITQDNWXUFUUZBH-QGZVFWFLSA-N 2 1 324.472 3.385 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683495 193288004 /nfs/dbraw/zinc/28/80/04/193288004.db2.gz ITQDNWXUFUUZBH-QGZVFWFLSA-N 2 1 324.472 3.385 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2[nH]ccc21 ZINC000486984702 245010227 /nfs/dbraw/zinc/01/02/27/245010227.db2.gz TWLAEGFCOYXWBE-PBHICJAKSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984702 245010237 /nfs/dbraw/zinc/01/02/37/245010237.db2.gz TWLAEGFCOYXWBE-PBHICJAKSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984702 245010239 /nfs/dbraw/zinc/01/02/39/245010239.db2.gz TWLAEGFCOYXWBE-PBHICJAKSA-N 2 1 321.428 3.280 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000486956376 245003006 /nfs/dbraw/zinc/00/30/06/245003006.db2.gz NMJHILVCGFOEQY-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000486956376 245003009 /nfs/dbraw/zinc/00/30/09/245003009.db2.gz NMJHILVCGFOEQY-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C1CCCCCC1 ZINC000122815016 284226337 /nfs/dbraw/zinc/22/63/37/284226337.db2.gz HFCKHPHXAHJGBR-UHFFFAOYSA-N 2 1 302.462 3.331 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)CCCOc1ccccc1 ZINC000125441599 284276029 /nfs/dbraw/zinc/27/60/29/284276029.db2.gz PYXCKWRMXOAFCO-UHFFFAOYSA-N 2 1 301.434 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCOc1ccccc1 ZINC000125441599 284276032 /nfs/dbraw/zinc/27/60/32/284276032.db2.gz PYXCKWRMXOAFCO-UHFFFAOYSA-N 2 1 301.434 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCOc1ccccc1 ZINC000125441599 284276033 /nfs/dbraw/zinc/27/60/33/284276033.db2.gz PYXCKWRMXOAFCO-UHFFFAOYSA-N 2 1 301.434 3.373 20 0 DGADMP COCCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000282475307 217022995 /nfs/dbraw/zinc/02/29/95/217022995.db2.gz WPWHYDUYVSGZBG-SFHVURJKSA-N 2 1 306.425 3.145 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274879094 212004915 /nfs/dbraw/zinc/00/49/15/212004915.db2.gz HETNNENXRXTPSR-PXNSSMCTSA-N 2 1 324.468 3.435 20 0 DGADMP FC(F)(F)Oc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126652214 284312388 /nfs/dbraw/zinc/31/23/88/284312388.db2.gz JVNOBYGDYCGKAS-UONOGXRCSA-N 2 1 314.351 3.302 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268732471 432126840 /nfs/dbraw/zinc/12/68/40/432126840.db2.gz ALFLMVPCGIHISF-QGZVFWFLSA-N 2 1 321.509 3.008 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268732471 432126845 /nfs/dbraw/zinc/12/68/45/432126845.db2.gz ALFLMVPCGIHISF-QGZVFWFLSA-N 3 1 321.509 3.008 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268732471 432126851 /nfs/dbraw/zinc/12/68/51/432126851.db2.gz ALFLMVPCGIHISF-QGZVFWFLSA-N 3 1 321.509 3.008 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000266176809 205160581 /nfs/dbraw/zinc/16/05/81/205160581.db2.gz TWZABEBQZYBCLD-NVXWUHKLSA-N 2 1 320.477 3.304 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000266176809 205160584 /nfs/dbraw/zinc/16/05/84/205160584.db2.gz TWZABEBQZYBCLD-NVXWUHKLSA-N 2 1 320.477 3.304 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000282838279 217284761 /nfs/dbraw/zinc/28/47/61/217284761.db2.gz SQLLEZSIFNJEAI-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282956527 217349725 /nfs/dbraw/zinc/34/97/25/217349725.db2.gz KCEYVMZTVYFLOX-SZMVWBNQSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282956527 217349726 /nfs/dbraw/zinc/34/97/26/217349726.db2.gz KCEYVMZTVYFLOX-SZMVWBNQSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772189 432131378 /nfs/dbraw/zinc/13/13/78/432131378.db2.gz MAZKWZSDDSGYLN-IPELMVKDSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772189 432131381 /nfs/dbraw/zinc/13/13/81/432131381.db2.gz MAZKWZSDDSGYLN-IPELMVKDSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781992 432133220 /nfs/dbraw/zinc/13/32/20/432133220.db2.gz PZPDGBSZDZFEHO-USXIJHARSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781992 432133223 /nfs/dbraw/zinc/13/32/23/432133223.db2.gz PZPDGBSZDZFEHO-USXIJHARSA-N 2 1 316.445 3.125 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1 ZINC000268788062 432134511 /nfs/dbraw/zinc/13/45/11/432134511.db2.gz CEUXGOZVGNUQGV-CABCVRRESA-N 2 1 309.417 3.117 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000267497844 206108051 /nfs/dbraw/zinc/10/80/51/206108051.db2.gz ZCQPXGFNBFILJU-HNNXBMFYSA-N 2 1 323.912 3.359 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268811095 432137946 /nfs/dbraw/zinc/13/79/46/432137946.db2.gz AXBXOXNASBYIFO-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268811095 432137951 /nfs/dbraw/zinc/13/79/51/432137951.db2.gz AXBXOXNASBYIFO-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246534987 432141510 /nfs/dbraw/zinc/14/15/10/432141510.db2.gz SABZUAPEAQTDPB-KZNAEPCWSA-N 2 1 323.525 3.055 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000268833334 432145210 /nfs/dbraw/zinc/14/52/10/432145210.db2.gz SUYOAQCVLNGJJP-HNNXBMFYSA-N 2 1 305.809 3.348 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902968 432146666 /nfs/dbraw/zinc/14/66/66/432146666.db2.gz PABYBRLHOZTFSF-KBMXLJTQSA-N 2 1 306.450 3.227 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902968 432146669 /nfs/dbraw/zinc/14/66/69/432146669.db2.gz PABYBRLHOZTFSF-KBMXLJTQSA-N 2 1 306.450 3.227 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000042418836 183266650 /nfs/dbraw/zinc/26/66/50/183266650.db2.gz BOKKLSJCQMAOLA-XUJVJEKNSA-N 2 1 311.267 3.267 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1csc(Br)c1 ZINC000042365878 183259963 /nfs/dbraw/zinc/25/99/63/183259963.db2.gz KZNGYNMPMRAJOK-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@@H](C)C1 ZINC000274099690 211354194 /nfs/dbraw/zinc/35/41/94/211354194.db2.gz YDAFMLRCRBOYFM-OXHPOLQJSA-N 2 1 316.489 3.137 20 0 DGADMP OC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000284394380 218010415 /nfs/dbraw/zinc/01/04/15/218010415.db2.gz PIFGJKQLPOQKRD-LDLYASANSA-N 2 1 314.473 3.077 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000285270352 218360229 /nfs/dbraw/zinc/36/02/29/218360229.db2.gz QSGNLDHKAWHMCN-OAHAVBBTSA-N 2 1 316.489 3.180 20 0 DGADMP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000268845921 207012582 /nfs/dbraw/zinc/01/25/82/207012582.db2.gz AIIFHRZJRDYPLY-HOTGVXAUSA-N 2 1 316.445 3.425 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000268845922 207013484 /nfs/dbraw/zinc/01/34/84/207013484.db2.gz AIIFHRZJRDYPLY-HZPDHXFCSA-N 2 1 316.445 3.425 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000110643740 194345930 /nfs/dbraw/zinc/34/59/30/194345930.db2.gz WUSQNLYJFVBBMT-SNVBAGLBSA-N 2 1 315.230 3.147 20 0 DGADMP CC(C)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268864195 207034195 /nfs/dbraw/zinc/03/41/95/207034195.db2.gz WCPKLHWKPRLONA-PKOBYXMFSA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268864195 207034198 /nfs/dbraw/zinc/03/41/98/207034198.db2.gz WCPKLHWKPRLONA-PKOBYXMFSA-N 2 1 304.478 3.159 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268890896 207061862 /nfs/dbraw/zinc/06/18/62/207061862.db2.gz AESYIGIAJBQGLD-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268890896 207061866 /nfs/dbraw/zinc/06/18/66/207061866.db2.gz AESYIGIAJBQGLD-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP COCc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000268903344 207071192 /nfs/dbraw/zinc/07/11/92/207071192.db2.gz XEEDAASLFSNTAU-AWEZNQCLSA-N 2 1 317.433 3.087 20 0 DGADMP CCCCc1noc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056522591 184014972 /nfs/dbraw/zinc/01/49/72/184014972.db2.gz XCZHHWUIQLTKBK-CQSZACIVSA-N 2 1 308.470 3.137 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000268952715 207117012 /nfs/dbraw/zinc/11/70/12/207117012.db2.gz DUKYPMMXFHTDRH-IBGZPJMESA-N 2 1 314.473 3.342 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000268985098 207142885 /nfs/dbraw/zinc/14/28/85/207142885.db2.gz PWFKMOBFJUMULT-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000268985098 207142887 /nfs/dbraw/zinc/14/28/87/207142887.db2.gz PWFKMOBFJUMULT-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000269055330 207204221 /nfs/dbraw/zinc/20/42/21/207204221.db2.gz SBIMTJVCIWCALK-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000269055330 207204223 /nfs/dbraw/zinc/20/42/23/207204223.db2.gz SBIMTJVCIWCALK-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000269070695 207220458 /nfs/dbraw/zinc/22/04/58/207220458.db2.gz ZYQKILPLFHEADG-PEBXRYMYSA-N 2 1 320.502 3.092 20 0 DGADMP Fc1ccccc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248762196 285024686 /nfs/dbraw/zinc/02/46/86/285024686.db2.gz WFZUJBQXYMOKTO-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248762196 285024688 /nfs/dbraw/zinc/02/46/88/285024688.db2.gz WFZUJBQXYMOKTO-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248762196 285024689 /nfs/dbraw/zinc/02/46/89/285024689.db2.gz WFZUJBQXYMOKTO-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119700606 195021505 /nfs/dbraw/zinc/02/15/05/195021505.db2.gz ILBFJUZQROCSNW-CABCVRRESA-N 2 1 302.462 3.404 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000249108158 285056194 /nfs/dbraw/zinc/05/61/94/285056194.db2.gz QDJZXYDBFROAMX-GUDVDZBRSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000249115213 285056807 /nfs/dbraw/zinc/05/68/07/285056807.db2.gz SEDOBEYJYKPWPO-DLBZAZTESA-N 2 1 310.507 3.416 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269870749 207924263 /nfs/dbraw/zinc/92/42/63/207924263.db2.gz MPXGRUSFHZZFPJ-BDJLRTHQSA-N 2 1 305.372 3.383 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249250174 285064332 /nfs/dbraw/zinc/06/43/32/285064332.db2.gz BXARWAYSZSWXBO-WFASDCNBSA-N 2 1 311.267 3.330 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249945256 285091119 /nfs/dbraw/zinc/09/11/19/285091119.db2.gz UHFDMZDDRMIKQN-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP COc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1F ZINC000337567917 253140658 /nfs/dbraw/zinc/14/06/58/253140658.db2.gz ZLWLCBZESAOZHN-LKGAJIBZSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1F ZINC000337567917 253140659 /nfs/dbraw/zinc/14/06/59/253140659.db2.gz ZLWLCBZESAOZHN-LKGAJIBZSA-N 2 1 306.425 3.153 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000337770512 253172105 /nfs/dbraw/zinc/17/21/05/253172105.db2.gz VDSOAURXAOBRCT-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000337770512 253172107 /nfs/dbraw/zinc/17/21/07/253172107.db2.gz VDSOAURXAOBRCT-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000337760676 253170636 /nfs/dbraw/zinc/17/06/36/253170636.db2.gz OVGIWAYTBWTCPU-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000337760676 253170638 /nfs/dbraw/zinc/17/06/38/253170638.db2.gz OVGIWAYTBWTCPU-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337659313 253155169 /nfs/dbraw/zinc/15/51/69/253155169.db2.gz POHXBKPYLAGISX-MJGOQNOKSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337659313 253155171 /nfs/dbraw/zinc/15/51/71/253155171.db2.gz POHXBKPYLAGISX-MJGOQNOKSA-N 2 1 324.472 3.206 20 0 DGADMP C[C@@H](Cn1cccn1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000337812543 253178147 /nfs/dbraw/zinc/17/81/47/253178147.db2.gz MDJKPZATAAGJQE-KRWDZBQOSA-N 2 1 314.477 3.019 20 0 DGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338023574 253211803 /nfs/dbraw/zinc/21/18/03/253211803.db2.gz SQGUBXRJFNIWQE-LSDHHAIUSA-N 2 1 301.434 3.372 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCC[NH2+]CC1 ZINC000414715823 285103716 /nfs/dbraw/zinc/10/37/16/285103716.db2.gz NOOGXWJRARYLRY-QGZVFWFLSA-N 2 1 302.462 3.364 20 0 DGADMP Cc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000338277364 253255584 /nfs/dbraw/zinc/25/55/84/253255584.db2.gz DURUHDFJZSTIQS-CQSZACIVSA-N 2 1 322.522 3.496 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc(O)c2n1 ZINC000338351547 253270957 /nfs/dbraw/zinc/27/09/57/253270957.db2.gz FIOCKEUOHGSNFF-MRXNPFEDSA-N 2 1 313.445 3.165 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000288735639 220381321 /nfs/dbraw/zinc/38/13/21/220381321.db2.gz GXTQCSKVVLRHKH-CXAGYDPISA-N 2 1 321.852 3.458 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000342697909 254034443 /nfs/dbraw/zinc/03/44/43/254034443.db2.gz LEZFEXDDMUTPPX-ROUUACIJSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000342697909 254034444 /nfs/dbraw/zinc/03/44/44/254034444.db2.gz LEZFEXDDMUTPPX-ROUUACIJSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC000342810627 254056071 /nfs/dbraw/zinc/05/60/71/254056071.db2.gz QSTNSTGCANBROO-UHFFFAOYSA-N 2 1 313.392 3.036 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000342812703 254057316 /nfs/dbraw/zinc/05/73/16/254057316.db2.gz MDGXXWWCABWGDF-LSDHHAIUSA-N 2 1 308.853 3.455 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000342812703 254057318 /nfs/dbraw/zinc/05/73/18/254057318.db2.gz MDGXXWWCABWGDF-LSDHHAIUSA-N 2 1 308.853 3.455 20 0 DGADMP CCCCO[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863127 254067480 /nfs/dbraw/zinc/06/74/80/254067480.db2.gz GMUFBGKLVXOQRD-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863127 254067483 /nfs/dbraw/zinc/06/74/83/254067483.db2.gz GMUFBGKLVXOQRD-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343116277 254101903 /nfs/dbraw/zinc/10/19/03/254101903.db2.gz GSSWBPAAWYOXTP-OIISXLGYSA-N 2 1 320.477 3.097 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000343116277 254101906 /nfs/dbraw/zinc/10/19/06/254101906.db2.gz GSSWBPAAWYOXTP-OIISXLGYSA-N 2 1 320.477 3.097 20 0 DGADMP CCCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000343922610 254203134 /nfs/dbraw/zinc/20/31/34/254203134.db2.gz HSDSCESNOMTIMD-IBGZPJMESA-N 2 1 304.478 3.354 20 0 DGADMP CC(C)COc1cccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000344090304 254223709 /nfs/dbraw/zinc/22/37/09/254223709.db2.gz MBGRSOHFPMFXAR-QGZVFWFLSA-N 2 1 313.445 3.270 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344136230 254230621 /nfs/dbraw/zinc/23/06/21/254230621.db2.gz MRFIXPUKVHQNKW-ICSRJNTNSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344136230 254230622 /nfs/dbraw/zinc/23/06/22/254230622.db2.gz MRFIXPUKVHQNKW-ICSRJNTNSA-N 2 1 316.489 3.182 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1(CC)CC ZINC000344161097 254233111 /nfs/dbraw/zinc/23/31/11/254233111.db2.gz FWQDJGFOLHAMOR-HYVNUMGLSA-N 2 1 307.482 3.401 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000344294444 254252112 /nfs/dbraw/zinc/25/21/12/254252112.db2.gz SJZIPICIAIYYOZ-MJGOQNOKSA-N 2 1 300.446 3.006 20 0 DGADMP CCCCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000344633087 254291152 /nfs/dbraw/zinc/29/11/52/254291152.db2.gz QSYGYZNXFDXNDV-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000344633087 254291153 /nfs/dbraw/zinc/29/11/53/254291153.db2.gz QSYGYZNXFDXNDV-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000261821285 285193255 /nfs/dbraw/zinc/19/32/55/285193255.db2.gz IKCWSJSXZUJORP-MRXNPFEDSA-N 2 1 317.477 3.115 20 0 DGADMP COc1ccc2cc(C[N@H+](C)CCn3cc[nH+]c3C)ccc2c1 ZINC000345522623 254371673 /nfs/dbraw/zinc/37/16/73/254371673.db2.gz ONPFZTKDJRQZSO-UHFFFAOYSA-N 2 1 309.413 3.485 20 0 DGADMP COc1ccc2cc(C[N@@H+](C)CCn3cc[nH+]c3C)ccc2c1 ZINC000345522623 254371675 /nfs/dbraw/zinc/37/16/75/254371675.db2.gz ONPFZTKDJRQZSO-UHFFFAOYSA-N 2 1 309.413 3.485 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195921 197094829 /nfs/dbraw/zinc/09/48/29/197094829.db2.gz LIVZUQJHWJAAQB-QFBILLFUSA-N 2 1 314.477 3.371 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195921 197094831 /nfs/dbraw/zinc/09/48/31/197094831.db2.gz LIVZUQJHWJAAQB-QFBILLFUSA-N 2 1 314.477 3.371 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCSC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278604588 285220192 /nfs/dbraw/zinc/22/01/92/285220192.db2.gz CLEJNBDLLBODGP-JQHSSLGASA-N 2 1 304.503 3.240 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c(OC)c1 ZINC000120419779 195162946 /nfs/dbraw/zinc/16/29/46/195162946.db2.gz HSVCPSXMNMWKOB-OAHLLOKOSA-N 2 1 306.450 3.230 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178973062 288391458 /nfs/dbraw/zinc/39/14/58/288391458.db2.gz ZYSRTRNKHUOFIU-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000271577318 209026354 /nfs/dbraw/zinc/02/63/54/209026354.db2.gz QNWPAXXPAFOHBA-IIDMSEBBSA-N 2 1 304.453 3.467 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289774364 221218355 /nfs/dbraw/zinc/21/83/55/221218355.db2.gz XUTOKGLLQKCGOT-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294934281 224322010 /nfs/dbraw/zinc/32/20/10/224322010.db2.gz ZRZWJBIFZQINLY-AOIWGVFYSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294934281 224322012 /nfs/dbraw/zinc/32/20/12/224322012.db2.gz ZRZWJBIFZQINLY-AOIWGVFYSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289971869 221351045 /nfs/dbraw/zinc/35/10/45/221351045.db2.gz XLOOXLPDNYXXJW-GFCCVEGCSA-N 2 1 314.271 3.225 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289971869 221351046 /nfs/dbraw/zinc/35/10/46/221351046.db2.gz XLOOXLPDNYXXJW-GFCCVEGCSA-N 2 1 314.271 3.225 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1O ZINC000290001112 221371569 /nfs/dbraw/zinc/37/15/69/221371569.db2.gz ZAPFWNIMLXBXFX-HUUCEWRRSA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1O ZINC000290001112 221371572 /nfs/dbraw/zinc/37/15/72/221371572.db2.gz ZAPFWNIMLXBXFX-HUUCEWRRSA-N 2 1 306.450 3.316 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)C(C)(C)C ZINC000290023333 221386432 /nfs/dbraw/zinc/38/64/32/221386432.db2.gz SVQLPAASTSWMHY-GOSISDBHSA-N 2 1 319.493 3.027 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000190945348 285361961 /nfs/dbraw/zinc/36/19/61/285361961.db2.gz PVTLEMFABWNPDF-SQNIBIBYSA-N 2 1 318.461 3.015 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000121807997 195351924 /nfs/dbraw/zinc/35/19/24/195351924.db2.gz WIIZMNZGVQINKV-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000121807997 195351926 /nfs/dbraw/zinc/35/19/26/195351926.db2.gz WIIZMNZGVQINKV-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121807997 195351927 /nfs/dbraw/zinc/35/19/27/195351927.db2.gz WIIZMNZGVQINKV-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121807997 195351929 /nfs/dbraw/zinc/35/19/29/195351929.db2.gz WIIZMNZGVQINKV-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000415040145 533353320 /nfs/dbraw/zinc/35/33/20/533353320.db2.gz KBQZPIKDVUPGLP-KDOFPFPSSA-N 2 1 314.429 3.405 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000449300498 533370998 /nfs/dbraw/zinc/37/09/98/533370998.db2.gz OWIMLIBYWVSGMN-AEFFLSMTSA-N 2 1 306.494 3.475 20 0 DGADMP C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCCC[NH2+]1 ZINC000422912652 533390429 /nfs/dbraw/zinc/39/04/29/533390429.db2.gz WOQMCWYEWZHPHZ-ZIAGYGMSSA-N 2 1 307.507 3.075 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173873799 533452172 /nfs/dbraw/zinc/45/21/72/533452172.db2.gz USPTYFPDSSBKNP-LJQANCHMSA-N 2 1 316.489 3.436 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1OC1CCCC1 ZINC000415092021 533517284 /nfs/dbraw/zinc/51/72/84/533517284.db2.gz RWPPJMJPXKYCTG-INIZCTEOSA-N 2 1 318.461 3.248 20 0 DGADMP C[C@@H](CCO)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000162220193 533631631 /nfs/dbraw/zinc/63/16/31/533631631.db2.gz OIKYAWLOWDDCJZ-SFHVURJKSA-N 2 1 304.478 3.136 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000415118646 533640663 /nfs/dbraw/zinc/64/06/63/533640663.db2.gz DUFYIUPRMPXREI-ZFWWWQNUSA-N 2 1 301.459 3.227 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000164119891 132129953 /nfs/dbraw/zinc/12/99/53/132129953.db2.gz HYHHYCZKLHXHLK-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000164119891 132129955 /nfs/dbraw/zinc/12/99/55/132129955.db2.gz HYHHYCZKLHXHLK-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCCC23CCOCC3)([NH+](C)C)C1 ZINC000319669409 296494128 /nfs/dbraw/zinc/49/41/28/296494128.db2.gz PDWBJOAWFRISOQ-AOIWGVFYSA-N 2 1 308.510 3.436 20 0 DGADMP COC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000483251653 292112887 /nfs/dbraw/zinc/11/28/87/292112887.db2.gz SPLLBCYQEXJMCO-SJLPKXTDSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000483251653 292112888 /nfs/dbraw/zinc/11/28/88/292112888.db2.gz SPLLBCYQEXJMCO-SJLPKXTDSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000483251653 292112889 /nfs/dbraw/zinc/11/28/89/292112889.db2.gz SPLLBCYQEXJMCO-SJLPKXTDSA-N 2 1 306.494 3.284 20 0 DGADMP CCc1ccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)cc1 ZINC000091306444 400112302 /nfs/dbraw/zinc/11/23/02/400112302.db2.gz PTAYVZIZYSZCSW-HXUWFJFHSA-N 2 1 318.505 3.383 20 0 DGADMP Cc1cnccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090847341 400079877 /nfs/dbraw/zinc/07/98/77/400079877.db2.gz CUIHFWIPFFOAQU-UHFFFAOYSA-N 2 1 323.484 3.229 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCO1 ZINC000090859197 400079993 /nfs/dbraw/zinc/07/99/93/400079993.db2.gz QQVMTUJGJKGWIO-VQTJNVASSA-N 2 1 316.489 3.241 20 0 DGADMP COc1ccc(COCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000608500910 400080909 /nfs/dbraw/zinc/08/09/09/400080909.db2.gz QJIPEIVYWUKERJ-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COc1ccc(COCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000608500910 400080913 /nfs/dbraw/zinc/08/09/13/400080913.db2.gz QJIPEIVYWUKERJ-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COc1ccc(COCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000608500910 400080916 /nfs/dbraw/zinc/08/09/16/400080916.db2.gz QJIPEIVYWUKERJ-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COc1ccc(COCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000608500910 400080919 /nfs/dbraw/zinc/08/09/19/400080919.db2.gz QJIPEIVYWUKERJ-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]21 ZINC000322823318 400174873 /nfs/dbraw/zinc/17/48/73/400174873.db2.gz HKBCIRIOQNXPNG-CWRNSKLLSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]21 ZINC000322823318 400174874 /nfs/dbraw/zinc/17/48/74/400174874.db2.gz HKBCIRIOQNXPNG-CWRNSKLLSA-N 2 1 315.392 3.040 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000315403662 400145469 /nfs/dbraw/zinc/14/54/69/400145469.db2.gz OHDTXHGYSLIMKR-OAHLLOKOSA-N 2 1 302.462 3.220 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000315403662 400145475 /nfs/dbraw/zinc/14/54/75/400145475.db2.gz OHDTXHGYSLIMKR-OAHLLOKOSA-N 2 1 302.462 3.220 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000588688199 400223831 /nfs/dbraw/zinc/22/38/31/400223831.db2.gz QTEJSRLMCJLIEP-SFTDATJTSA-N 2 1 324.468 3.220 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000588688199 400223838 /nfs/dbraw/zinc/22/38/38/400223838.db2.gz QTEJSRLMCJLIEP-SFTDATJTSA-N 2 1 324.468 3.220 20 0 DGADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588709613 400225146 /nfs/dbraw/zinc/22/51/46/400225146.db2.gz LDCVPHVUNXYKQY-HDICACEKSA-N 2 1 316.489 3.316 20 0 DGADMP CC[N@H+](Cc1ccn(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818764 400257671 /nfs/dbraw/zinc/25/76/71/400257671.db2.gz XGTHSVZZWXRJLG-FQEVSTJZSA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1ccn(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818764 400257676 /nfs/dbraw/zinc/25/76/76/400257676.db2.gz XGTHSVZZWXRJLG-FQEVSTJZSA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1ccn(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818764 400257681 /nfs/dbraw/zinc/25/76/81/400257681.db2.gz XGTHSVZZWXRJLG-FQEVSTJZSA-N 2 1 311.473 3.369 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(Cc2noc3c2CCCC3)CC1 ZINC000108917308 400349733 /nfs/dbraw/zinc/34/97/33/400349733.db2.gz SHHKWXZURBORRD-UHFFFAOYSA-N 2 1 319.493 3.497 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108917308 400349740 /nfs/dbraw/zinc/34/97/40/400349740.db2.gz SHHKWXZURBORRD-UHFFFAOYSA-N 2 1 319.493 3.497 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108917308 400349747 /nfs/dbraw/zinc/34/97/47/400349747.db2.gz SHHKWXZURBORRD-UHFFFAOYSA-N 2 1 319.493 3.497 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000037301292 400393724 /nfs/dbraw/zinc/39/37/24/400393724.db2.gz QTOCAOOQTYPAAR-UHFFFAOYSA-N 2 1 310.825 3.033 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000040620712 400401528 /nfs/dbraw/zinc/40/15/28/400401528.db2.gz JUDFENCPZBJZRZ-CQSZACIVSA-N 2 1 311.267 3.269 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000040622800 400401769 /nfs/dbraw/zinc/40/17/69/400401769.db2.gz LZQBAWKXPMFTRZ-LLVKDONJSA-N 2 1 317.296 3.331 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000040622800 400401773 /nfs/dbraw/zinc/40/17/73/400401773.db2.gz LZQBAWKXPMFTRZ-LLVKDONJSA-N 2 1 317.296 3.331 20 0 DGADMP Cc1cccc(OCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787161 400434273 /nfs/dbraw/zinc/43/42/73/400434273.db2.gz YKMZVSGMASICQX-UHFFFAOYSA-N 2 1 304.478 3.426 20 0 DGADMP CSCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000611586636 400428399 /nfs/dbraw/zinc/42/83/99/400428399.db2.gz VIXPIBDKJUZXIS-KZNAEPCWSA-N 2 1 304.503 3.240 20 0 DGADMP c1cn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)cn1 ZINC000591083241 400484163 /nfs/dbraw/zinc/48/41/63/400484163.db2.gz SCRLYUVSIDTXIL-MRXNPFEDSA-N 2 1 308.385 3.375 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)cn1 ZINC000591083241 400484165 /nfs/dbraw/zinc/48/41/65/400484165.db2.gz SCRLYUVSIDTXIL-MRXNPFEDSA-N 2 1 308.385 3.375 20 0 DGADMP Clc1ccc(OCC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000591082365 400484253 /nfs/dbraw/zinc/48/42/53/400484253.db2.gz FUNFSPZNCNNUEO-OAHLLOKOSA-N 2 1 305.809 3.252 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)cn1 ZINC000591868396 400567888 /nfs/dbraw/zinc/56/78/88/400567888.db2.gz ZGFOGVNRQBAFLC-INIZCTEOSA-N 2 1 308.385 3.375 20 0 DGADMP Clc1ccc2nc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)cn2c1 ZINC000591867226 400568406 /nfs/dbraw/zinc/56/84/06/400568406.db2.gz MOWNOHMJRLIBCZ-HNNXBMFYSA-N 2 1 315.808 3.021 20 0 DGADMP Clc1ccc2nc(C[N@H+]3CCC[C@H](n4ccnc4)C3)cn2c1 ZINC000591867226 400568409 /nfs/dbraw/zinc/56/84/09/400568409.db2.gz MOWNOHMJRLIBCZ-HNNXBMFYSA-N 2 1 315.808 3.021 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836036 400613188 /nfs/dbraw/zinc/61/31/88/400613188.db2.gz CELMPUJXRKZWBK-SFHVURJKSA-N 2 1 301.478 3.060 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150841124 400667907 /nfs/dbraw/zinc/66/79/07/400667907.db2.gz BDXSAYNNWNQNOG-SFHVURJKSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150841124 400667908 /nfs/dbraw/zinc/66/79/08/400667908.db2.gz BDXSAYNNWNQNOG-SFHVURJKSA-N 2 1 302.462 3.100 20 0 DGADMP c1ccc2c(C[NH2+]CCCCC[NH+]3CCCCC3)n[nH]c2c1 ZINC000603516430 400696673 /nfs/dbraw/zinc/69/66/73/400696673.db2.gz ZJOOFLAMPGNLNS-UHFFFAOYSA-N 2 1 300.450 3.309 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000165907933 400753425 /nfs/dbraw/zinc/75/34/25/400753425.db2.gz CESLKRWDKURYQM-LJQANCHMSA-N 2 1 322.468 3.093 20 0 DGADMP CCCn1c(C[NH2+]CCCn2cc[nH+]c2C)nc2ccccc21 ZINC000077435009 400717087 /nfs/dbraw/zinc/71/70/87/400717087.db2.gz AJQRFVRIZZQXAK-UHFFFAOYSA-N 2 1 311.433 3.131 20 0 DGADMP CCOCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629500027 400944691 /nfs/dbraw/zinc/94/46/91/400944691.db2.gz MDQYWVYCOPZCLQ-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC1(C)C ZINC000598987736 400920847 /nfs/dbraw/zinc/92/08/47/400920847.db2.gz MHAHBYGQMUVSEH-HOTGVXAUSA-N 2 1 324.509 3.207 20 0 DGADMP O[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582208 400981305 /nfs/dbraw/zinc/98/13/05/400981305.db2.gz OUTFJESTBDCOEL-QZTJIDSGSA-N 2 1 322.880 3.228 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629589867 400984716 /nfs/dbraw/zinc/98/47/16/400984716.db2.gz BTQUJINCUVIIHL-FRQCXROJSA-N 2 1 302.462 3.010 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@H]21 ZINC000228476417 400964968 /nfs/dbraw/zinc/96/49/68/400964968.db2.gz VVIPDADLLOUKFN-KBRIMQKVSA-N 2 1 308.853 3.168 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000629537709 400965607 /nfs/dbraw/zinc/96/56/07/400965607.db2.gz LOIKFCDTLHUGAL-LPHOPBHVSA-N 2 1 301.478 3.328 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629559520 400975920 /nfs/dbraw/zinc/97/59/20/400975920.db2.gz BGXHJMOWMRFBHI-GJZGRUSLSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629559520 400975924 /nfs/dbraw/zinc/97/59/24/400975924.db2.gz BGXHJMOWMRFBHI-GJZGRUSLSA-N 2 1 300.368 3.208 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1C(F)(F)F ZINC000629562436 400977431 /nfs/dbraw/zinc/97/74/31/400977431.db2.gz NBHSLISCDJOPQH-HOTGVXAUSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1C(F)(F)F ZINC000629562436 400977432 /nfs/dbraw/zinc/97/74/32/400977432.db2.gz NBHSLISCDJOPQH-HOTGVXAUSA-N 2 1 312.379 3.134 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561904 400977861 /nfs/dbraw/zinc/97/78/61/400977861.db2.gz LHKMGTFINFTZSY-HUUCEWRRSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561904 400977866 /nfs/dbraw/zinc/97/78/66/400977866.db2.gz LHKMGTFINFTZSY-HUUCEWRRSA-N 2 1 300.368 3.208 20 0 DGADMP CCOCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629575741 400980409 /nfs/dbraw/zinc/98/04/09/400980409.db2.gz QIRJRMPPLUIDAX-LPHOPBHVSA-N 2 1 302.462 3.012 20 0 DGADMP CCOCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629574541 400980481 /nfs/dbraw/zinc/98/04/81/400980481.db2.gz KDQNMVOWFSODFU-XLIONFOSSA-N 2 1 316.489 3.402 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599580581 401081578 /nfs/dbraw/zinc/08/15/78/401081578.db2.gz FYKSOFWPYZFSIO-HOTGVXAUSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599580581 401081584 /nfs/dbraw/zinc/08/15/84/401081584.db2.gz FYKSOFWPYZFSIO-HOTGVXAUSA-N 2 1 312.498 3.018 20 0 DGADMP CSC[C@@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1CSC ZINC000255042127 401102014 /nfs/dbraw/zinc/10/20/14/401102014.db2.gz HGIZCSVRGOHWJS-HFZJXRFXSA-N 2 1 314.564 3.197 20 0 DGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259879 286013764 /nfs/dbraw/zinc/01/37/64/286013764.db2.gz VBUVAVILWKPLTQ-HUUCEWRRSA-N 2 1 317.260 3.101 20 0 DGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259879 286013765 /nfs/dbraw/zinc/01/37/65/286013765.db2.gz VBUVAVILWKPLTQ-HUUCEWRRSA-N 2 1 317.260 3.101 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000062426998 401171877 /nfs/dbraw/zinc/17/18/77/401171877.db2.gz NGOMTYGCTRRPPK-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000271514281 286022619 /nfs/dbraw/zinc/02/26/19/286022619.db2.gz NPDNXJSQUUCHMN-RUGDWHBFSA-N 2 1 306.425 3.118 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC000630073943 401176764 /nfs/dbraw/zinc/17/67/64/401176764.db2.gz ZBHMETFAJXMZLX-UHFFFAOYSA-N 2 1 317.477 3.157 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1(C)COC1 ZINC000625793579 401220530 /nfs/dbraw/zinc/22/05/30/401220530.db2.gz XNSCQQAKNQYIRP-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000600119964 401184843 /nfs/dbraw/zinc/18/48/43/401184843.db2.gz GQXWNKLEQCAWSP-VAMGGRTRSA-N 2 1 321.553 3.303 20 0 DGADMP CCOc1cncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000621712892 401279869 /nfs/dbraw/zinc/27/98/69/401279869.db2.gz SQVGZCVZBMQRKQ-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)oc1C ZINC000064141486 401231672 /nfs/dbraw/zinc/23/16/72/401231672.db2.gz ZSKFQHMPCHUSHC-UHFFFAOYSA-N 2 1 305.466 3.379 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1F ZINC000626123840 401306230 /nfs/dbraw/zinc/30/62/30/401306230.db2.gz AYXSVNMNQLCBQL-IAGOWNOFSA-N 2 1 320.452 3.498 20 0 DGADMP COC[C@H](C)[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626132965 401309011 /nfs/dbraw/zinc/30/90/11/401309011.db2.gz DLRJZGUKWAGNJO-HNAYVOBHSA-N 2 1 313.445 3.216 20 0 DGADMP COC[C@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626132965 401309017 /nfs/dbraw/zinc/30/90/17/401309017.db2.gz DLRJZGUKWAGNJO-HNAYVOBHSA-N 2 1 313.445 3.216 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000634679295 401331513 /nfs/dbraw/zinc/33/15/13/401331513.db2.gz QCCWTPKKSKPHHW-OALUTQOASA-N 2 1 316.489 3.098 20 0 DGADMP CC[N@@H+](CCOCC1CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063806 401292674 /nfs/dbraw/zinc/29/26/74/401292674.db2.gz QYWPWLPIOYTZRG-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP c1cnc2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)ccc2n1 ZINC000634957178 401388891 /nfs/dbraw/zinc/38/88/91/401388891.db2.gz FLHDOFKPXYWAEO-UHFFFAOYSA-N 2 1 324.472 3.374 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634972055 401392597 /nfs/dbraw/zinc/39/25/97/401392597.db2.gz NDBRYZKRLSKYEY-QGZVFWFLSA-N 2 1 312.461 3.087 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nc2ccccc2n1C ZINC000635010003 401402967 /nfs/dbraw/zinc/40/29/67/401402967.db2.gz IPUSDIVOUPODQZ-UONOGXRCSA-N 2 1 300.450 3.002 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c2ccccc21 ZINC000635014103 401404277 /nfs/dbraw/zinc/40/42/77/401404277.db2.gz MZDPICGXGPZSRP-VHSSKADRSA-N 2 1 316.832 3.150 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631193903 401421675 /nfs/dbraw/zinc/42/16/75/401421675.db2.gz HCZDENNRXRHHIQ-NLPMXTIOSA-N 2 1 316.489 3.300 20 0 DGADMP CC(C)c1cc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)nc(C(C)C)n1 ZINC000631326058 401452555 /nfs/dbraw/zinc/45/25/55/401452555.db2.gz MBZUEHUCVVGEEA-LSDHHAIUSA-N 2 1 302.466 3.111 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623358261 401500117 /nfs/dbraw/zinc/50/01/17/401500117.db2.gz WDKDXAXQCSHXBJ-HNNXBMFYSA-N 2 1 300.450 3.165 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000631569566 401500638 /nfs/dbraw/zinc/50/06/38/401500638.db2.gz KJYFRSWDPYJNTL-INIZCTEOSA-N 2 1 315.417 3.094 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000623361347 401500967 /nfs/dbraw/zinc/50/09/67/401500967.db2.gz YJWPLUVUTSTGGE-VXGBXAGGSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000623361347 401500970 /nfs/dbraw/zinc/50/09/70/401500970.db2.gz YJWPLUVUTSTGGE-VXGBXAGGSA-N 2 1 304.381 3.483 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572305 401501581 /nfs/dbraw/zinc/50/15/81/401501581.db2.gz OXDGNMJWARIRNI-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572305 401501583 /nfs/dbraw/zinc/50/15/83/401501583.db2.gz OXDGNMJWARIRNI-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631572822 401502198 /nfs/dbraw/zinc/50/21/98/401502198.db2.gz STXIMGUQJMECCQ-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631601449 401511597 /nfs/dbraw/zinc/51/15/97/401511597.db2.gz SWOSXHLZKIPPBY-QFBILLFUSA-N 2 1 301.478 3.417 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCOC1 ZINC000631665787 401529490 /nfs/dbraw/zinc/52/94/90/401529490.db2.gz XXFMUKVREJFHQX-FFGOWVMKSA-N 2 1 316.489 3.159 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC000623510995 401536615 /nfs/dbraw/zinc/53/66/15/401536615.db2.gz VLZYMWOCOPJCPN-KRWDZBQOSA-N 2 1 320.440 3.175 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2n[nH]cc21)C1CCCCC1 ZINC000623346477 401495644 /nfs/dbraw/zinc/49/56/44/401495644.db2.gz SUWXEZIKOXEFMB-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623654956 401562444 /nfs/dbraw/zinc/56/24/44/401562444.db2.gz KYUIQOWIBUTPEE-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000628204435 401549900 /nfs/dbraw/zinc/54/99/00/401549900.db2.gz XVMHPPSQOKGLFN-HOTGVXAUSA-N 2 1 312.379 3.464 20 0 DGADMP Cc1ccc([C@@H](C)C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000628252973 401560857 /nfs/dbraw/zinc/56/08/57/401560857.db2.gz PHOIFLWIXFHHGS-ZWKOTPCHSA-N 2 1 304.478 3.189 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000623647031 401561452 /nfs/dbraw/zinc/56/14/52/401561452.db2.gz WXKYNTRTXYONCL-MISYRCLQSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000623647031 401561455 /nfs/dbraw/zinc/56/14/55/401561455.db2.gz WXKYNTRTXYONCL-MISYRCLQSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121008 401628368 /nfs/dbraw/zinc/62/83/68/401628368.db2.gz LMYBSZMSRBOFJT-GJZGRUSLSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121008 401628370 /nfs/dbraw/zinc/62/83/70/401628370.db2.gz LMYBSZMSRBOFJT-GJZGRUSLSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121008 401628372 /nfs/dbraw/zinc/62/83/72/401628372.db2.gz LMYBSZMSRBOFJT-GJZGRUSLSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121395 401628958 /nfs/dbraw/zinc/62/89/58/401628958.db2.gz VGQWHHPOHCMRFC-GGPKGHCWSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCC[N@H+](C)C3)CC2)C1 ZINC000624121395 401628959 /nfs/dbraw/zinc/62/89/59/401628959.db2.gz VGQWHHPOHCMRFC-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121395 401628960 /nfs/dbraw/zinc/62/89/60/401628960.db2.gz VGQWHHPOHCMRFC-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122021 401629419 /nfs/dbraw/zinc/62/94/19/401629419.db2.gz IDDAHVPFYDBNLB-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122021 401629420 /nfs/dbraw/zinc/62/94/20/401629420.db2.gz IDDAHVPFYDBNLB-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624123418 401629831 /nfs/dbraw/zinc/62/98/31/401629831.db2.gz LRFLNQQUEZFBPS-PBHICJAKSA-N 2 1 318.461 3.013 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000623971029 401607212 /nfs/dbraw/zinc/60/72/12/401607212.db2.gz IBGQZRGSZHRCBR-QUCCMNQESA-N 2 1 318.505 3.488 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000623971029 401607216 /nfs/dbraw/zinc/60/72/16/401607216.db2.gz IBGQZRGSZHRCBR-QUCCMNQESA-N 2 1 318.505 3.488 20 0 DGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000358596005 286103138 /nfs/dbraw/zinc/10/31/38/286103138.db2.gz RSQJFDCUFYLMNT-INIZCTEOSA-N 2 1 317.477 3.199 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000358596005 286103141 /nfs/dbraw/zinc/10/31/41/286103141.db2.gz RSQJFDCUFYLMNT-INIZCTEOSA-N 2 1 317.477 3.199 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000358596005 286103142 /nfs/dbraw/zinc/10/31/42/286103142.db2.gz RSQJFDCUFYLMNT-INIZCTEOSA-N 2 1 317.477 3.199 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000358726287 286133804 /nfs/dbraw/zinc/13/38/04/286133804.db2.gz QARGGLCKLPNSIU-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000358726287 286133805 /nfs/dbraw/zinc/13/38/05/286133805.db2.gz QARGGLCKLPNSIU-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP CCc1nnc(CN2CCC(CC[N@H+](CC)CC(C)C)CC2)o1 ZINC000358740124 286138466 /nfs/dbraw/zinc/13/84/66/286138466.db2.gz HPQYZPAYKIMIIP-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP CCc1nnc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)o1 ZINC000358740124 286138468 /nfs/dbraw/zinc/13/84/68/286138468.db2.gz HPQYZPAYKIMIIP-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP CCc1nnc(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)o1 ZINC000358740124 286138470 /nfs/dbraw/zinc/13/84/70/286138470.db2.gz HPQYZPAYKIMIIP-UHFFFAOYSA-N 2 1 322.497 3.212 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358915422 286186565 /nfs/dbraw/zinc/18/65/65/286186565.db2.gz ONYBHEQJIVLICA-RDJZCZTQSA-N 2 1 304.482 3.042 20 0 DGADMP c1ccc(CCCO[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359187776 286257874 /nfs/dbraw/zinc/25/78/74/286257874.db2.gz JWVDIPDGVGJCRU-FQEVSTJZSA-N 2 1 316.489 3.100 20 0 DGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000359215877 286262791 /nfs/dbraw/zinc/26/27/91/286262791.db2.gz KJXAWVNGWKBKDE-MRXNPFEDSA-N 2 1 317.477 3.115 20 0 DGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359218996 286262982 /nfs/dbraw/zinc/26/29/82/286262982.db2.gz MJWDPXAIFDGROZ-QGZVFWFLSA-N 2 1 318.436 3.110 20 0 DGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1C ZINC000359194350 286258833 /nfs/dbraw/zinc/25/88/33/286258833.db2.gz RYBQEABKIOZBNJ-UHFFFAOYSA-N 2 1 317.477 3.035 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c(OC)c1 ZINC000359223768 286264335 /nfs/dbraw/zinc/26/43/35/286264335.db2.gz ZUARNBPMKVLQME-SFHVURJKSA-N 2 1 318.461 3.230 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359397116 286299451 /nfs/dbraw/zinc/29/94/51/286299451.db2.gz XXHPBPVSOZBVDE-INIZCTEOSA-N 2 1 314.389 3.025 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCCC2)cc1 ZINC000423327289 286363140 /nfs/dbraw/zinc/36/31/40/286363140.db2.gz KBXLSGAZOFQTNA-CCKFTAQKSA-N 2 1 302.462 3.309 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000420317070 286372280 /nfs/dbraw/zinc/37/22/80/286372280.db2.gz MXVOZFHZUCRDMX-UKRRQHHQSA-N 2 1 316.470 3.418 20 0 DGADMP CC(C)(C[NH2+]Cc1cccc2c1OCCCO2)C[NH+]1CCCC1 ZINC000360154369 286432780 /nfs/dbraw/zinc/43/27/80/286432780.db2.gz QFMMCPJMWSYHLE-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP c1cc(C[NH+]2CCC(Nc3cc4c(c[nH+]3)CCCC4)CC2)ccn1 ZINC000361188534 286619964 /nfs/dbraw/zinc/61/99/64/286619964.db2.gz LFMHGEDNFCNOBM-UHFFFAOYSA-N 2 1 322.456 3.432 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423490492 292368010 /nfs/dbraw/zinc/36/80/10/292368010.db2.gz YWIAHSSUPXDQAP-UKRRQHHQSA-N 2 1 310.388 3.043 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423034420 298399411 /nfs/dbraw/zinc/39/94/11/298399411.db2.gz PXCVPBRAGNAQCD-GSEOLPGOSA-N 3 1 315.505 3.004 20 0 DGADMP CCn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000364951751 287079106 /nfs/dbraw/zinc/07/91/06/287079106.db2.gz NTBVAEAWOAPARS-IEBWSBKVSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000364951751 287079109 /nfs/dbraw/zinc/07/91/09/287079109.db2.gz NTBVAEAWOAPARS-IEBWSBKVSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000364951751 287079110 /nfs/dbraw/zinc/07/91/10/287079110.db2.gz NTBVAEAWOAPARS-IEBWSBKVSA-N 2 1 318.509 3.032 20 0 DGADMP CCn1cc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000364951751 287079113 /nfs/dbraw/zinc/07/91/13/287079113.db2.gz NTBVAEAWOAPARS-IEBWSBKVSA-N 2 1 318.509 3.032 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000364946935 287078224 /nfs/dbraw/zinc/07/82/24/287078224.db2.gz HFKZRZPQELGCOA-QXCFHYIPSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000364946935 287078227 /nfs/dbraw/zinc/07/82/27/287078227.db2.gz HFKZRZPQELGCOA-QXCFHYIPSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)CCC3CC3)CC2)nc(C)[nH+]1 ZINC000186375378 165041510 /nfs/dbraw/zinc/04/15/10/165041510.db2.gz ZQBNNMPIKHYFDS-ZDUSSCGKSA-N 2 1 302.466 3.231 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365154401 287103351 /nfs/dbraw/zinc/10/33/51/287103351.db2.gz FVCOVLUXNJOMRE-ZWKOTPCHSA-N 2 1 300.446 3.192 20 0 DGADMP CC[NH+](CC)CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191520354 165257542 /nfs/dbraw/zinc/25/75/42/165257542.db2.gz KQWFZVOMJNSFDZ-HXUWFJFHSA-N 2 1 317.521 3.172 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000192167808 165284985 /nfs/dbraw/zinc/28/49/85/165284985.db2.gz RWDFEYWZZTXYLP-MJGOQNOKSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000192166674 165285150 /nfs/dbraw/zinc/28/51/50/165285150.db2.gz JNZOHBRPBUEAET-HNNXBMFYSA-N 2 1 309.417 3.107 20 0 DGADMP CCN1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3C)cc2)CC1 ZINC000192498408 165294728 /nfs/dbraw/zinc/29/47/28/165294728.db2.gz OREWJBIRCJTEHZ-UHFFFAOYSA-N 2 1 324.472 3.140 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000192723571 165304712 /nfs/dbraw/zinc/30/47/12/165304712.db2.gz FWLAXFYHOYYHOA-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1cccs1 ZINC000194475146 165346824 /nfs/dbraw/zinc/34/68/24/165346824.db2.gz CJIGBALNAYORHC-HLLBOEOZSA-N 2 1 306.475 3.413 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1cccs1 ZINC000194475146 165346826 /nfs/dbraw/zinc/34/68/26/165346826.db2.gz CJIGBALNAYORHC-HLLBOEOZSA-N 2 1 306.475 3.413 20 0 DGADMP C[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000194558658 165351108 /nfs/dbraw/zinc/35/11/08/165351108.db2.gz ZDQBBINYUFKDRZ-GOSISDBHSA-N 2 1 316.489 3.415 20 0 DGADMP CSc1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136293200 432151213 /nfs/dbraw/zinc/15/12/13/432151213.db2.gz MMMWSLRFIFRQNG-UHFFFAOYSA-N 2 1 319.474 3.314 20 0 DGADMP CSc1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136293200 432151216 /nfs/dbraw/zinc/15/12/16/432151216.db2.gz MMMWSLRFIFRQNG-UHFFFAOYSA-N 2 1 319.474 3.314 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000129466753 196050182 /nfs/dbraw/zinc/05/01/82/196050182.db2.gz FKSHZHPGWLCXNT-HZMBPMFUSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000129466753 196050183 /nfs/dbraw/zinc/05/01/83/196050183.db2.gz FKSHZHPGWLCXNT-HZMBPMFUSA-N 2 1 304.331 3.417 20 0 DGADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182235715 432169261 /nfs/dbraw/zinc/16/92/61/432169261.db2.gz HTBNFKIQSHPRTH-JTDSTZFVSA-N 2 1 304.478 3.168 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000182266792 432173511 /nfs/dbraw/zinc/17/35/11/432173511.db2.gz PWBJYBLLQBLSRR-PZJWPPBQSA-N 2 1 322.452 3.030 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1nccn1C ZINC000182276583 432174128 /nfs/dbraw/zinc/17/41/28/432174128.db2.gz FSPNWYSYXFZROU-GOSISDBHSA-N 2 1 312.461 3.257 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccs1 ZINC000182261322 432174423 /nfs/dbraw/zinc/17/44/23/432174423.db2.gz XJFIALMYXACSDY-PBHICJAKSA-N 2 1 316.470 3.166 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246956490 432184793 /nfs/dbraw/zinc/18/47/93/432184793.db2.gz IJODXQQIDOQEEG-RHQZKXFESA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246956490 432184796 /nfs/dbraw/zinc/18/47/96/432184796.db2.gz IJODXQQIDOQEEG-RHQZKXFESA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246956490 432184800 /nfs/dbraw/zinc/18/48/00/432184800.db2.gz IJODXQQIDOQEEG-RHQZKXFESA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)C1 ZINC000246956490 432184803 /nfs/dbraw/zinc/18/48/03/432184803.db2.gz IJODXQQIDOQEEG-RHQZKXFESA-N 2 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)C1 ZINC000246956490 432184806 /nfs/dbraw/zinc/18/48/06/432184806.db2.gz IJODXQQIDOQEEG-RHQZKXFESA-N 2 1 309.542 3.063 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000246972394 432186594 /nfs/dbraw/zinc/18/65/94/432186594.db2.gz INFQBLMJCTWPNE-JYYAWHABSA-N 2 1 308.441 3.301 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246977970 432187412 /nfs/dbraw/zinc/18/74/12/432187412.db2.gz JNDHDVNUXORIHP-CYGHRXIMSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000246977970 432187415 /nfs/dbraw/zinc/18/74/15/432187415.db2.gz JNDHDVNUXORIHP-CYGHRXIMSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246977970 432187418 /nfs/dbraw/zinc/18/74/18/432187418.db2.gz JNDHDVNUXORIHP-CYGHRXIMSA-N 2 1 323.550 3.449 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000246997193 432188744 /nfs/dbraw/zinc/18/87/44/432188744.db2.gz KNMAKDRCKXCPSH-IHPCNDPISA-N 2 1 317.521 3.012 20 0 DGADMP CC(C)[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247073303 432199965 /nfs/dbraw/zinc/19/99/65/432199965.db2.gz OJNUAFKQJBBQLC-NCXUSEDFSA-N 2 1 309.542 3.061 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccccc2OC)C1 ZINC000182530830 432201296 /nfs/dbraw/zinc/20/12/96/432201296.db2.gz YWUGCZJEHOTCOA-QGZVFWFLSA-N 2 1 304.478 3.292 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000247104752 432202174 /nfs/dbraw/zinc/20/21/74/432202174.db2.gz QFNPUVFIAIPDFM-KKUMJFAQSA-N 2 1 306.450 3.146 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000247104752 432202176 /nfs/dbraw/zinc/20/21/76/432202176.db2.gz QFNPUVFIAIPDFM-KKUMJFAQSA-N 2 1 306.450 3.146 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000247074464 432200672 /nfs/dbraw/zinc/20/06/72/432200672.db2.gz OMIVQAHGDKSHLQ-RDJZCZTQSA-N 2 1 304.482 3.042 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccccc2OC)C1 ZINC000182530809 432200875 /nfs/dbraw/zinc/20/08/75/432200875.db2.gz YWUGCZJEHOTCOA-KRWDZBQOSA-N 2 1 304.478 3.292 20 0 DGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000182547580 432202555 /nfs/dbraw/zinc/20/25/55/432202555.db2.gz PLEZIIFDLQNWTN-HOTGVXAUSA-N 2 1 312.498 3.351 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000247196138 432210974 /nfs/dbraw/zinc/21/09/74/432210974.db2.gz WBAPKGBFVHZBCT-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000247196138 432210978 /nfs/dbraw/zinc/21/09/78/432210978.db2.gz WBAPKGBFVHZBCT-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)c1 ZINC000269841709 432213587 /nfs/dbraw/zinc/21/35/87/432213587.db2.gz CBYGDWXCEYYNQS-LJQANCHMSA-N 2 1 313.445 3.201 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000247137077 432204925 /nfs/dbraw/zinc/20/49/25/432204925.db2.gz QVZLGLYGKSIKJQ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000247137077 432204928 /nfs/dbraw/zinc/20/49/28/432204928.db2.gz QVZLGLYGKSIKJQ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000247137077 432204931 /nfs/dbraw/zinc/20/49/31/432204931.db2.gz QVZLGLYGKSIKJQ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000247137077 432204934 /nfs/dbraw/zinc/20/49/34/432204934.db2.gz QVZLGLYGKSIKJQ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000247133158 432206115 /nfs/dbraw/zinc/20/61/15/432206115.db2.gz AUABVDFPTQQDHP-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000247133158 432206118 /nfs/dbraw/zinc/20/61/18/432206118.db2.gz AUABVDFPTQQDHP-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000247133158 432206120 /nfs/dbraw/zinc/20/61/20/432206120.db2.gz AUABVDFPTQQDHP-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000151099854 432220089 /nfs/dbraw/zinc/22/00/89/432220089.db2.gz IIFAJYPSWUFDJJ-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000151099854 432220094 /nfs/dbraw/zinc/22/00/94/432220094.db2.gz IIFAJYPSWUFDJJ-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000172574337 432221028 /nfs/dbraw/zinc/22/10/28/432221028.db2.gz BHJCTNVBBDKWAZ-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000172574337 432221031 /nfs/dbraw/zinc/22/10/31/432221031.db2.gz BHJCTNVBBDKWAZ-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574337 432221035 /nfs/dbraw/zinc/22/10/35/432221035.db2.gz BHJCTNVBBDKWAZ-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574337 432221039 /nfs/dbraw/zinc/22/10/39/432221039.db2.gz BHJCTNVBBDKWAZ-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CCCO2 ZINC000132108508 196226414 /nfs/dbraw/zinc/22/64/14/196226414.db2.gz ZZTIIGCBLKOZFF-INIZCTEOSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000132997633 196303256 /nfs/dbraw/zinc/30/32/56/196303256.db2.gz XHTALXINGWKZIJ-KBPBESRZSA-N 2 1 324.415 3.116 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000263279206 287273761 /nfs/dbraw/zinc/27/37/61/287273761.db2.gz RNRZYMVWUVIDSC-QZTJIDSGSA-N 2 1 323.525 3.009 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291190980 222208754 /nfs/dbraw/zinc/20/87/54/222208754.db2.gz PERWKZWFSWGNIP-ZAWLATJESA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291190980 222208756 /nfs/dbraw/zinc/20/87/56/222208756.db2.gz PERWKZWFSWGNIP-ZAWLATJESA-N 2 1 302.462 3.197 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000193955431 263804298 /nfs/dbraw/zinc/80/42/98/263804298.db2.gz HIADQXYOGNPBKO-FGTMMUONSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH+]1C ZINC000346326450 264011714 /nfs/dbraw/zinc/01/17/14/264011714.db2.gz HZSYDHNTYAVOCH-KVPLUYHFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH+]1C ZINC000346326450 264011716 /nfs/dbraw/zinc/01/17/16/264011716.db2.gz HZSYDHNTYAVOCH-KVPLUYHFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[N@@H+]1C ZINC000346326450 264011719 /nfs/dbraw/zinc/01/17/19/264011719.db2.gz HZSYDHNTYAVOCH-KVPLUYHFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[N@H+]1C ZINC000346326450 264011721 /nfs/dbraw/zinc/01/17/21/264011721.db2.gz HZSYDHNTYAVOCH-KVPLUYHFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000346326448 264011844 /nfs/dbraw/zinc/01/18/44/264011844.db2.gz HZSYDHNTYAVOCH-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000346326448 264011847 /nfs/dbraw/zinc/01/18/47/264011847.db2.gz HZSYDHNTYAVOCH-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000346326448 264011848 /nfs/dbraw/zinc/01/18/48/264011848.db2.gz HZSYDHNTYAVOCH-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000346326448 264011851 /nfs/dbraw/zinc/01/18/51/264011851.db2.gz HZSYDHNTYAVOCH-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000346334954 264012539 /nfs/dbraw/zinc/01/25/39/264012539.db2.gz XNHPOXWOJFOCKV-GOSISDBHSA-N 2 1 313.445 3.155 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000346334954 264012541 /nfs/dbraw/zinc/01/25/41/264012541.db2.gz XNHPOXWOJFOCKV-GOSISDBHSA-N 2 1 313.445 3.155 20 0 DGADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346362159 264018110 /nfs/dbraw/zinc/01/81/10/264018110.db2.gz LFMGHFASJUKLFK-ZWKOTPCHSA-N 2 1 314.473 3.333 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCCO1 ZINC000346550176 264051466 /nfs/dbraw/zinc/05/14/66/264051466.db2.gz DLRPWBYBRWSEME-JKQORVJESA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]1CCCO1 ZINC000346550176 264051467 /nfs/dbraw/zinc/05/14/67/264051467.db2.gz DLRPWBYBRWSEME-JKQORVJESA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000346563769 264055420 /nfs/dbraw/zinc/05/54/20/264055420.db2.gz REPPAYVLSMHFJZ-FCEWJHQRSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccn(C(F)F)n2)c1 ZINC000346674941 264077375 /nfs/dbraw/zinc/07/73/75/264077375.db2.gz OYCGQNQQOJZEEW-UHFFFAOYSA-N 2 1 322.403 3.408 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccn(C(F)F)n2)c1 ZINC000346674941 264077377 /nfs/dbraw/zinc/07/73/77/264077377.db2.gz OYCGQNQQOJZEEW-UHFFFAOYSA-N 2 1 322.403 3.408 20 0 DGADMP COc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1OC(C)C ZINC000346685164 264079600 /nfs/dbraw/zinc/07/96/00/264079600.db2.gz QHUQOPBYZXRGKV-INIZCTEOSA-N 2 1 308.466 3.288 20 0 DGADMP COc1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1OC(C)C ZINC000346685164 264079603 /nfs/dbraw/zinc/07/96/03/264079603.db2.gz QHUQOPBYZXRGKV-INIZCTEOSA-N 2 1 308.466 3.288 20 0 DGADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCC(C)C ZINC000346682587 264079739 /nfs/dbraw/zinc/07/97/39/264079739.db2.gz ODMBEJUSYOZFIK-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000346692683 264080194 /nfs/dbraw/zinc/08/01/94/264080194.db2.gz IGXKTAIPKUPUGK-OAHLLOKOSA-N 2 1 318.383 3.433 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000346692942 264080399 /nfs/dbraw/zinc/08/03/99/264080399.db2.gz JYGJGMDSXRWNQR-AWEZNQCLSA-N 2 1 318.383 3.433 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000346692942 264080401 /nfs/dbraw/zinc/08/04/01/264080401.db2.gz JYGJGMDSXRWNQR-AWEZNQCLSA-N 2 1 318.383 3.433 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000346692943 264080488 /nfs/dbraw/zinc/08/04/88/264080488.db2.gz JYGJGMDSXRWNQR-CQSZACIVSA-N 2 1 318.383 3.433 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000346692943 264080490 /nfs/dbraw/zinc/08/04/90/264080490.db2.gz JYGJGMDSXRWNQR-CQSZACIVSA-N 2 1 318.383 3.433 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)s2)o1 ZINC000346821610 264103783 /nfs/dbraw/zinc/10/37/83/264103783.db2.gz IYRLSZVYFXSCCC-NWANDNLSSA-N 2 1 317.458 3.271 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCC3CC3)C[C@H]21 ZINC000346826680 264104853 /nfs/dbraw/zinc/10/48/53/264104853.db2.gz LZWXJWWAXMQJPB-KBAYOESNSA-N 2 1 300.446 3.035 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(OC(F)F)cc1C ZINC000346830230 264105904 /nfs/dbraw/zinc/10/59/04/264105904.db2.gz KFWNLOFGHVIKCT-NUEKZKHPSA-N 2 1 324.415 3.464 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)C[C@H]21 ZINC000346838872 264106244 /nfs/dbraw/zinc/10/62/44/264106244.db2.gz RTFKGMLTMOJIGF-XUVXKRRUSA-N 2 1 307.441 3.308 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]21 ZINC000346864702 264112026 /nfs/dbraw/zinc/11/20/26/264112026.db2.gz YYYSEWPFRUWIDW-HRCADAONSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]21 ZINC000346864702 264112028 /nfs/dbraw/zinc/11/20/28/264112028.db2.gz YYYSEWPFRUWIDW-HRCADAONSA-N 2 1 313.470 3.369 20 0 DGADMP CC(C)c1csc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346970947 264130212 /nfs/dbraw/zinc/13/02/12/264130212.db2.gz GOQDCGKOJYBKGM-GJZGRUSLSA-N 2 1 307.507 3.446 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCCC(C)C ZINC000346995496 264136284 /nfs/dbraw/zinc/13/62/84/264136284.db2.gz BJUBMILQNDNCLX-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCCC(C)C ZINC000346995496 264136286 /nfs/dbraw/zinc/13/62/86/264136286.db2.gz BJUBMILQNDNCLX-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347003900 264138051 /nfs/dbraw/zinc/13/80/51/264138051.db2.gz AAEDBBJHTWQUDW-PXAZEXFGSA-N 2 1 318.852 3.003 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347003900 264138054 /nfs/dbraw/zinc/13/80/54/264138054.db2.gz AAEDBBJHTWQUDW-PXAZEXFGSA-N 2 1 318.852 3.003 20 0 DGADMP c1cc2c(c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)NCC2 ZINC000347011320 264140078 /nfs/dbraw/zinc/14/00/78/264140078.db2.gz UOTKPWSGFQSKAP-LPHOPBHVSA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c1)NCC2 ZINC000347011320 264140081 /nfs/dbraw/zinc/14/00/81/264140081.db2.gz UOTKPWSGFQSKAP-LPHOPBHVSA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1)NCC2 ZINC000347011320 264140084 /nfs/dbraw/zinc/14/00/84/264140084.db2.gz UOTKPWSGFQSKAP-LPHOPBHVSA-N 2 1 311.473 3.103 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347012285 264140393 /nfs/dbraw/zinc/14/03/93/264140393.db2.gz HCYCAQFBBBDVJN-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347012285 264140395 /nfs/dbraw/zinc/14/03/95/264140395.db2.gz HCYCAQFBBBDVJN-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347050558 264147643 /nfs/dbraw/zinc/14/76/43/264147643.db2.gz QVUVVDJFMXKWDK-OCCSQVGLSA-N 2 1 316.367 3.187 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069247 264150937 /nfs/dbraw/zinc/15/09/37/264150937.db2.gz OSAOYFJAZGZTFV-HIFRSBDPSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069247 264150939 /nfs/dbraw/zinc/15/09/39/264150939.db2.gz OSAOYFJAZGZTFV-HIFRSBDPSA-N 2 1 318.852 3.085 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000347064869 264151106 /nfs/dbraw/zinc/15/11/06/264151106.db2.gz XTWYFUSLVFQTGU-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000347064869 264151109 /nfs/dbraw/zinc/15/11/09/264151109.db2.gz XTWYFUSLVFQTGU-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000347064869 264151112 /nfs/dbraw/zinc/15/11/12/264151112.db2.gz XTWYFUSLVFQTGU-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347097260 264155470 /nfs/dbraw/zinc/15/54/70/264155470.db2.gz JEOKPBXDNPNGJP-HUUCEWRRSA-N 2 1 307.457 3.089 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347097260 264155471 /nfs/dbraw/zinc/15/54/71/264155471.db2.gz JEOKPBXDNPNGJP-HUUCEWRRSA-N 2 1 307.457 3.089 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OCC ZINC000347096621 264155674 /nfs/dbraw/zinc/15/56/74/264155674.db2.gz ICBRZROBULCTTO-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OCC ZINC000347096621 264155677 /nfs/dbraw/zinc/15/56/77/264155677.db2.gz ICBRZROBULCTTO-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000347116718 264159690 /nfs/dbraw/zinc/15/96/90/264159690.db2.gz XAMGRCCUFBOFLA-IBGZPJMESA-N 2 1 312.413 3.176 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347192695 264173376 /nfs/dbraw/zinc/17/33/76/264173376.db2.gz GJTQWMPRXLPLEL-PBHICJAKSA-N 2 1 313.420 3.447 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347194471 264173942 /nfs/dbraw/zinc/17/39/42/264173942.db2.gz GYQAKTZAFDWJPV-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000347232341 264179958 /nfs/dbraw/zinc/17/99/58/264179958.db2.gz LVQUBRNAGLQVLI-IYBDPMFKSA-N 2 1 317.477 3.340 20 0 DGADMP COC1CC([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347232799 264180165 /nfs/dbraw/zinc/18/01/65/264180165.db2.gz OKVFZXVYESDHHZ-BANKROOTSA-N 2 1 316.489 3.432 20 0 DGADMP CCN(CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)CC(F)(F)F ZINC000347300560 264192951 /nfs/dbraw/zinc/19/29/51/264192951.db2.gz NCZSKDDTYIMPMM-HNNXBMFYSA-N 2 1 323.447 3.067 20 0 DGADMP CCN(CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)CC(F)(F)F ZINC000347300560 264192953 /nfs/dbraw/zinc/19/29/53/264192953.db2.gz NCZSKDDTYIMPMM-HNNXBMFYSA-N 2 1 323.447 3.067 20 0 DGADMP CCN(CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C)CC(F)(F)F ZINC000347300560 264192956 /nfs/dbraw/zinc/19/29/56/264192956.db2.gz NCZSKDDTYIMPMM-HNNXBMFYSA-N 2 1 323.447 3.067 20 0 DGADMP C[N@@H+](CC[C@H]1CCCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347548388 264239694 /nfs/dbraw/zinc/23/96/94/264239694.db2.gz YNWOJEOTFVHXNL-LJQANCHMSA-N 2 1 317.477 3.189 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347870764 264298694 /nfs/dbraw/zinc/29/86/94/264298694.db2.gz RYXGPXKSKINNKI-GOSISDBHSA-N 2 1 316.445 3.366 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928978 264308063 /nfs/dbraw/zinc/30/80/63/264308063.db2.gz JOGDFIAUNLLDEO-HIFRSBDPSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928978 264308064 /nfs/dbraw/zinc/30/80/64/264308064.db2.gz JOGDFIAUNLLDEO-HIFRSBDPSA-N 2 1 305.466 3.288 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348076433 264335189 /nfs/dbraw/zinc/33/51/89/264335189.db2.gz CXYFYFARGURRSV-BARDWOONSA-N 2 1 322.415 3.054 20 0 DGADMP C[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096610 264339677 /nfs/dbraw/zinc/33/96/77/264339677.db2.gz NFTZQLKKUWBQRS-OXHPOLQJSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348109833 264342312 /nfs/dbraw/zinc/34/23/12/264342312.db2.gz SWEQMMYENFUNBO-KFWWJZLASA-N 2 1 322.415 3.198 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000348185301 264359179 /nfs/dbraw/zinc/35/91/79/264359179.db2.gz JUBVBERNXPINBJ-GOSISDBHSA-N 2 1 324.472 3.345 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348239592 264371335 /nfs/dbraw/zinc/37/13/35/264371335.db2.gz GYOHLWLTVWQJQL-QUCCMNQESA-N 2 1 316.489 3.269 20 0 DGADMP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000348381254 264399575 /nfs/dbraw/zinc/39/95/75/264399575.db2.gz CLTGCKVPYNTXFG-UJWQCDCRSA-N 2 1 302.437 3.377 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000352351546 265010427 /nfs/dbraw/zinc/01/04/27/265010427.db2.gz YLPYJFYNLXUAGP-GOSISDBHSA-N 2 1 315.461 3.321 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000352429388 265046297 /nfs/dbraw/zinc/04/62/97/265046297.db2.gz BBOMVTWTGQZVKY-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000352429388 265046298 /nfs/dbraw/zinc/04/62/98/265046298.db2.gz BBOMVTWTGQZVKY-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000352429388 265046301 /nfs/dbraw/zinc/04/63/01/265046301.db2.gz BBOMVTWTGQZVKY-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000352429388 265046304 /nfs/dbraw/zinc/04/63/04/265046304.db2.gz BBOMVTWTGQZVKY-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccccc2)no1)CC1CCCC1 ZINC000352512530 265075556 /nfs/dbraw/zinc/07/55/56/265075556.db2.gz YPNVUTDWSHJAJH-UHFFFAOYSA-N 2 1 314.433 3.078 20 0 DGADMP [NH3+]CCC[N@H+](Cc1nc(-c2ccccc2)no1)CC1CCCC1 ZINC000352512530 265075558 /nfs/dbraw/zinc/07/55/58/265075558.db2.gz YPNVUTDWSHJAJH-UHFFFAOYSA-N 2 1 314.433 3.078 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cc2ccccc2[nH]c1=O)CC1CCCC1 ZINC000352519653 265077872 /nfs/dbraw/zinc/07/78/72/265077872.db2.gz QNGIKPMAZPYCHK-UHFFFAOYSA-N 2 1 313.445 3.281 20 0 DGADMP CCn1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)c2ccccc21 ZINC000352527267 265081220 /nfs/dbraw/zinc/08/12/20/265081220.db2.gz YMGPFSREDVNZSZ-UHFFFAOYSA-N 2 1 314.477 3.397 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000352534028 265081339 /nfs/dbraw/zinc/08/13/39/265081339.db2.gz CJHNGZLHRWZREM-KXBFYZLASA-N 2 1 320.452 3.088 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(Cc3ccccc3)CC2)s1 ZINC000352756098 265154631 /nfs/dbraw/zinc/15/46/31/265154631.db2.gz BEHXVENFZXWLSI-UHFFFAOYSA-N 2 1 315.486 3.317 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc3ccccc3[nH]2)s1 ZINC000352765159 265157776 /nfs/dbraw/zinc/15/77/76/265157776.db2.gz KCHSLMWIYNGZSP-UHFFFAOYSA-N 2 1 314.458 3.018 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000352822829 265183683 /nfs/dbraw/zinc/18/36/83/265183683.db2.gz HIBKEMMTWYNCNF-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000352822829 265183687 /nfs/dbraw/zinc/18/36/87/265183687.db2.gz HIBKEMMTWYNCNF-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP CC[NH+]1CCN(c2ccccc2CNc2[nH+]cccc2C)CC1 ZINC000353213505 265347068 /nfs/dbraw/zinc/34/70/68/265347068.db2.gz TUOCRCLZNHKNHI-UHFFFAOYSA-N 2 1 310.445 3.144 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1C(C)C ZINC000191189837 432232026 /nfs/dbraw/zinc/23/20/26/432232026.db2.gz VPXOJLHPNKONOS-CQSZACIVSA-N 2 1 304.482 3.297 20 0 DGADMP CCCCNc1cc(C)[nH+]c(N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000631192385 424831825 /nfs/dbraw/zinc/83/18/25/424831825.db2.gz SRGPLMCRAUQLNN-UHFFFAOYSA-N 2 1 317.481 3.062 20 0 DGADMP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H]1c1ncc[nH]1 ZINC000355329550 266040577 /nfs/dbraw/zinc/04/05/77/266040577.db2.gz JLVDUEYESYPPTQ-FVQBIDKESA-N 2 1 314.433 3.005 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H]1c1ncc[nH]1 ZINC000355329550 266040579 /nfs/dbraw/zinc/04/05/79/266040579.db2.gz JLVDUEYESYPPTQ-FVQBIDKESA-N 2 1 314.433 3.005 20 0 DGADMP CC[N@@H+](CCNc1cc[nH+]c(C)c1Cl)CCC(F)(F)F ZINC000355681410 266155164 /nfs/dbraw/zinc/15/51/64/266155164.db2.gz ZFIRKJFWEVXGJU-UHFFFAOYSA-N 2 1 309.763 3.152 20 0 DGADMP CCn1cc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)cn1 ZINC000355897190 266222082 /nfs/dbraw/zinc/22/20/82/266222082.db2.gz CQFUIMMILPOMON-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nccs2)CC1)CC1CC1 ZINC000355899867 266222716 /nfs/dbraw/zinc/22/27/16/266222716.db2.gz JFSYPFPVFARQQY-UHFFFAOYSA-N 2 1 307.507 3.477 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nccs2)CC1)CC1CC1 ZINC000355899867 266222719 /nfs/dbraw/zinc/22/27/19/266222719.db2.gz JFSYPFPVFARQQY-UHFFFAOYSA-N 2 1 307.507 3.477 20 0 DGADMP CCN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904427 266224004 /nfs/dbraw/zinc/22/40/04/266224004.db2.gz FGXIXBFIRSXDPP-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904427 266224005 /nfs/dbraw/zinc/22/40/05/266224005.db2.gz FGXIXBFIRSXDPP-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904427 266224008 /nfs/dbraw/zinc/22/40/08/266224008.db2.gz FGXIXBFIRSXDPP-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904427 266224011 /nfs/dbraw/zinc/22/40/11/266224011.db2.gz FGXIXBFIRSXDPP-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904427 266224013 /nfs/dbraw/zinc/22/40/13/266224013.db2.gz FGXIXBFIRSXDPP-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000356083788 266277629 /nfs/dbraw/zinc/27/76/29/266277629.db2.gz KBDGXDPCFPNLKW-UHFFFAOYSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000151374195 432240838 /nfs/dbraw/zinc/24/08/38/432240838.db2.gz BPGNKSLJTWWILZ-HNAYVOBHSA-N 2 1 302.462 3.061 20 0 DGADMP Cc1ccccc1NC(=O)[C@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247684904 432246177 /nfs/dbraw/zinc/24/61/77/432246177.db2.gz UTZWXGSDGVBBBI-DLBZAZTESA-N 2 1 317.477 3.128 20 0 DGADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)n1 ZINC000359867948 271002526 /nfs/dbraw/zinc/00/25/26/271002526.db2.gz HDEZAAXMZGHOME-OAHLLOKOSA-N 2 1 314.433 3.080 20 0 DGADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)n1 ZINC000359867948 271002527 /nfs/dbraw/zinc/00/25/27/271002527.db2.gz HDEZAAXMZGHOME-OAHLLOKOSA-N 2 1 314.433 3.080 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000359897057 271012073 /nfs/dbraw/zinc/01/20/73/271012073.db2.gz KIOXOZHHUAEWGF-GTAWCEEGSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000367697893 271066044 /nfs/dbraw/zinc/06/60/44/271066044.db2.gz DJTSXLRTWVBDLM-FUHWJXTLSA-N 2 1 318.509 3.171 20 0 DGADMP COC[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000368530622 271165867 /nfs/dbraw/zinc/16/58/67/271165867.db2.gz OGCRTPRCVRPWNP-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000247892914 432252221 /nfs/dbraw/zinc/25/22/21/432252221.db2.gz FWKFZQDQBACHHY-GJJHYRHESA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247892914 432252226 /nfs/dbraw/zinc/25/22/26/432252226.db2.gz FWKFZQDQBACHHY-GJJHYRHESA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247892914 432252230 /nfs/dbraw/zinc/25/22/30/432252230.db2.gz FWKFZQDQBACHHY-GJJHYRHESA-N 2 1 317.521 3.170 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414935182 273571649 /nfs/dbraw/zinc/57/16/49/273571649.db2.gz ATYWTFCJEUULDB-MAUKXSAKSA-N 2 1 312.461 3.083 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123030929 274026187 /nfs/dbraw/zinc/02/61/87/274026187.db2.gz VNZXQUPNVCHCAJ-OALUTQOASA-N 2 1 316.489 3.269 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000293038499 274060815 /nfs/dbraw/zinc/06/08/15/274060815.db2.gz SBYHTBJNCPUDFL-ZWKOTPCHSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038499 274060817 /nfs/dbraw/zinc/06/08/17/274060817.db2.gz SBYHTBJNCPUDFL-ZWKOTPCHSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038499 274060819 /nfs/dbraw/zinc/06/08/19/274060819.db2.gz SBYHTBJNCPUDFL-ZWKOTPCHSA-N 2 1 322.880 3.445 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122849291 274122638 /nfs/dbraw/zinc/12/26/38/274122638.db2.gz VMRKHSNXHUHTTK-LJQANCHMSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000483713760 274336080 /nfs/dbraw/zinc/33/60/80/274336080.db2.gz OUOURCIFAXUUAM-BFYDXBDKSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000483713760 274336083 /nfs/dbraw/zinc/33/60/83/274336083.db2.gz OUOURCIFAXUUAM-BFYDXBDKSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000271447719 274355117 /nfs/dbraw/zinc/35/51/17/274355117.db2.gz DDYQCHHGDANMLF-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000271447719 274355118 /nfs/dbraw/zinc/35/51/18/274355118.db2.gz DDYQCHHGDANMLF-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C2 ZINC000423499611 274882275 /nfs/dbraw/zinc/88/22/75/274882275.db2.gz CFRSWNUQSNJJOK-CEXWTWQISA-N 2 1 312.844 3.152 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3COc4ccccc4C3)CC[NH2+]2)cc1 ZINC000415074974 275068280 /nfs/dbraw/zinc/06/82/80/275068280.db2.gz DIAZXHWNERKYBO-FHWLQOOXSA-N 2 1 308.425 3.073 20 0 DGADMP CCC[N@@H+](Cc1cccc2c1OC(C)(C)C2)C1CC[NH2+]CC1 ZINC000414653369 276002504 /nfs/dbraw/zinc/00/25/04/276002504.db2.gz IDSOOROUXBAOFD-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000151130277 276014191 /nfs/dbraw/zinc/01/41/91/276014191.db2.gz NGNBICLPVVXQQN-LSDHHAIUSA-N 2 1 307.457 3.274 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422688088 276110218 /nfs/dbraw/zinc/11/02/18/276110218.db2.gz CMPXPDLWVBXESQ-RTBURBONSA-N 3 1 303.494 3.278 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163759605 276111014 /nfs/dbraw/zinc/11/10/14/276111014.db2.gz TYINJIRHXFXMKZ-APWZRJJASA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000163759605 276111015 /nfs/dbraw/zinc/11/10/15/276111015.db2.gz TYINJIRHXFXMKZ-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163759605 276111017 /nfs/dbraw/zinc/11/10/17/276111017.db2.gz TYINJIRHXFXMKZ-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163759605 276111018 /nfs/dbraw/zinc/11/10/18/276111018.db2.gz TYINJIRHXFXMKZ-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187714114 276286854 /nfs/dbraw/zinc/28/68/54/276286854.db2.gz SEDOBEYJYKPWPO-SJORKVTESA-N 2 1 310.507 3.416 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247186447 276335068 /nfs/dbraw/zinc/33/50/68/276335068.db2.gz VNCSFVOXSKTROP-FUHIMQAGSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247186447 276335070 /nfs/dbraw/zinc/33/50/70/276335070.db2.gz VNCSFVOXSKTROP-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247186447 276335071 /nfs/dbraw/zinc/33/50/71/276335071.db2.gz VNCSFVOXSKTROP-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000247186447 276335072 /nfs/dbraw/zinc/33/50/72/276335072.db2.gz VNCSFVOXSKTROP-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247883335 276335242 /nfs/dbraw/zinc/33/52/42/276335242.db2.gz CENJLHVIWSXUMJ-PXNSSMCTSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247883335 276335243 /nfs/dbraw/zinc/33/52/43/276335243.db2.gz CENJLHVIWSXUMJ-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247883335 276335245 /nfs/dbraw/zinc/33/52/45/276335245.db2.gz CENJLHVIWSXUMJ-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)[C@@H](C)C1 ZINC000247883335 276335246 /nfs/dbraw/zinc/33/52/46/276335246.db2.gz CENJLHVIWSXUMJ-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000420986389 276359093 /nfs/dbraw/zinc/35/90/93/276359093.db2.gz YGJAWFCLULWJNR-RTBURBONSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145846 277185644 /nfs/dbraw/zinc/18/56/44/277185644.db2.gz FSZBHQCZTONDAW-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145846 277185646 /nfs/dbraw/zinc/18/56/46/277185646.db2.gz FSZBHQCZTONDAW-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145846 277185648 /nfs/dbraw/zinc/18/56/48/277185648.db2.gz FSZBHQCZTONDAW-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145846 277185650 /nfs/dbraw/zinc/18/56/50/277185650.db2.gz FSZBHQCZTONDAW-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000435876240 277267604 /nfs/dbraw/zinc/26/76/04/277267604.db2.gz HOVFCBORJZNBOR-INIZCTEOSA-N 2 1 314.477 3.406 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414785001 277274362 /nfs/dbraw/zinc/27/43/62/277274362.db2.gz RYEXZNHAVXTVJG-KBPBESRZSA-N 2 1 307.507 3.262 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279020331 277933103 /nfs/dbraw/zinc/93/31/03/277933103.db2.gz UVIWCIIMEGHGED-OAGGEKHMSA-N 2 1 313.445 3.236 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854084 278221999 /nfs/dbraw/zinc/22/19/99/278221999.db2.gz UIGJFAXZSDWCEN-GUYCJALGSA-N 2 1 321.440 3.040 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422842093 278294034 /nfs/dbraw/zinc/29/40/34/278294034.db2.gz XOKHKCXKPVDYHF-WMZOPIPTSA-N 3 1 307.526 3.294 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000423326679 278333675 /nfs/dbraw/zinc/33/36/75/278333675.db2.gz JOFJPGVPUQUGEX-HNNXBMFYSA-N 2 1 315.461 3.129 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nc2ccccc2n1C ZINC000453408767 278343661 /nfs/dbraw/zinc/34/36/61/278343661.db2.gz TUFOHFAIKZQTAQ-CQSZACIVSA-N 2 1 300.450 3.098 20 0 DGADMP C[C@@H]1[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000261551312 279126777 /nfs/dbraw/zinc/12/67/77/279126777.db2.gz MCJSLCFFWGIDOC-QAJUQPOASA-N 2 1 321.468 3.384 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000459420829 279134231 /nfs/dbraw/zinc/13/42/31/279134231.db2.gz GMYMTBATJVESIF-APWZRJJASA-N 2 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCCCn2cc(C)cn2)CC1 ZINC000111240439 431198820 /nfs/dbraw/zinc/19/88/20/431198820.db2.gz BDGVHDYOMKSXTR-UHFFFAOYSA-N 2 1 306.498 3.168 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111391208 431220909 /nfs/dbraw/zinc/22/09/09/431220909.db2.gz QWKCMNYBDIKQQC-YQQQUEKLSA-N 2 1 310.445 3.003 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111391208 431220916 /nfs/dbraw/zinc/22/09/16/431220916.db2.gz QWKCMNYBDIKQQC-YQQQUEKLSA-N 2 1 310.445 3.003 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173800 431242791 /nfs/dbraw/zinc/24/27/91/431242791.db2.gz BPILZEJAGCFWSX-VXGBXAGGSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173800 431242795 /nfs/dbraw/zinc/24/27/95/431242795.db2.gz BPILZEJAGCFWSX-VXGBXAGGSA-N 2 1 317.260 3.431 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070169462 431243773 /nfs/dbraw/zinc/24/37/73/431243773.db2.gz ORYNZHIZLYJZPX-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000070169642 431243821 /nfs/dbraw/zinc/24/38/21/431243821.db2.gz LTZSHPCSDCDQNG-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000070169642 431243829 /nfs/dbraw/zinc/24/38/29/431243829.db2.gz LTZSHPCSDCDQNG-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2ccncc2)C1 ZINC000113934643 431369018 /nfs/dbraw/zinc/36/90/18/431369018.db2.gz WNLUBZWLHABIOS-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000113934643 431369026 /nfs/dbraw/zinc/36/90/26/431369026.db2.gz WNLUBZWLHABIOS-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000113934643 431369033 /nfs/dbraw/zinc/36/90/33/431369033.db2.gz WNLUBZWLHABIOS-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000113934643 431369039 /nfs/dbraw/zinc/36/90/39/431369039.db2.gz WNLUBZWLHABIOS-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000113934643 431369045 /nfs/dbraw/zinc/36/90/45/431369045.db2.gz WNLUBZWLHABIOS-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP COc1ccnc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000113933989 431367031 /nfs/dbraw/zinc/36/70/31/431367031.db2.gz VANQFMGAURRYGK-IAGOWNOFSA-N 2 1 317.477 3.177 20 0 DGADMP COCCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109642 431526301 /nfs/dbraw/zinc/52/63/01/431526301.db2.gz RLLQVQVVXUOCSI-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP COCCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109642 431526307 /nfs/dbraw/zinc/52/63/07/431526307.db2.gz RLLQVQVVXUOCSI-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP COCCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109642 431526311 /nfs/dbraw/zinc/52/63/11/431526311.db2.gz RLLQVQVVXUOCSI-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167101 431657691 /nfs/dbraw/zinc/65/76/91/431657691.db2.gz BXIFYCGRFCRPKL-DYEKYZERSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167101 431657697 /nfs/dbraw/zinc/65/76/97/431657697.db2.gz BXIFYCGRFCRPKL-DYEKYZERSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@H]1SCC[N@H+](CCCN2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000119008349 431634015 /nfs/dbraw/zinc/63/40/15/431634015.db2.gz FUGZOFBMJSXJPL-ZQDZILKHSA-N 2 1 302.553 3.028 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000079914934 431749650 /nfs/dbraw/zinc/74/96/50/431749650.db2.gz ORNCMEQSTLPEEG-IBGZPJMESA-N 2 1 322.468 3.303 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccccc2C)C1 ZINC000081578737 431794773 /nfs/dbraw/zinc/79/47/73/431794773.db2.gz PQBQNBYRACZNDN-SFHVURJKSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000081578737 431794776 /nfs/dbraw/zinc/79/47/76/431794776.db2.gz PQBQNBYRACZNDN-SFHVURJKSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000081578737 431794781 /nfs/dbraw/zinc/79/47/81/431794781.db2.gz PQBQNBYRACZNDN-SFHVURJKSA-N 2 1 304.478 3.428 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122821962 431845012 /nfs/dbraw/zinc/84/50/12/431845012.db2.gz CMALNBBLJMBNSY-QFBILLFUSA-N 2 1 302.462 3.187 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018440 431852297 /nfs/dbraw/zinc/85/22/97/431852297.db2.gz LFVJJQUZXXIEOH-XLIONFOSSA-N 3 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018440 431852300 /nfs/dbraw/zinc/85/23/00/431852300.db2.gz LFVJJQUZXXIEOH-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018440 431852302 /nfs/dbraw/zinc/85/23/02/431852302.db2.gz LFVJJQUZXXIEOH-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018440 431852304 /nfs/dbraw/zinc/85/23/04/431852304.db2.gz LFVJJQUZXXIEOH-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000088548959 431859015 /nfs/dbraw/zinc/85/90/15/431859015.db2.gz IMPRJFZQAKTBJD-SJORKVTESA-N 2 1 304.478 3.433 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@H](C)C[NH+]3CCCC3)cc2c1 ZINC000123442916 431864832 /nfs/dbraw/zinc/86/48/32/431864832.db2.gz QXZBBZCANSCWDM-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425952 431865672 /nfs/dbraw/zinc/86/56/72/431865672.db2.gz FQKBXQPJMGPSBO-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425952 431865673 /nfs/dbraw/zinc/86/56/73/431865673.db2.gz FQKBXQPJMGPSBO-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425952 431865676 /nfs/dbraw/zinc/86/56/76/431865676.db2.gz FQKBXQPJMGPSBO-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425952 431865678 /nfs/dbraw/zinc/86/56/78/431865678.db2.gz FQKBXQPJMGPSBO-OALUTQOASA-N 2 1 302.462 3.152 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000123508091 431867431 /nfs/dbraw/zinc/86/74/31/431867431.db2.gz GMQKUWVTUHNGTD-ROUUACIJSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000089513125 431868955 /nfs/dbraw/zinc/86/89/55/431868955.db2.gz VEHMAERIEIANGL-JLCFBVMHSA-N 2 1 322.518 3.338 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000125049368 431912768 /nfs/dbraw/zinc/91/27/68/431912768.db2.gz JVMHJVIWKJJNQP-UWVAXJGDSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000090115896 431890186 /nfs/dbraw/zinc/89/01/86/431890186.db2.gz ZRAHUVBQFQIKRH-VMUDFCTBSA-N 2 1 310.869 3.426 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000090909707 431897708 /nfs/dbraw/zinc/89/77/08/431897708.db2.gz OJKQKZABWIHIKZ-CYJAXWMASA-N 2 1 304.478 3.192 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)C)cc1 ZINC000091284472 431903844 /nfs/dbraw/zinc/90/38/44/431903844.db2.gz IMKYXPRUKHOCAJ-DNVCBOLYSA-N 2 1 302.462 3.466 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000125497118 431927385 /nfs/dbraw/zinc/92/73/85/431927385.db2.gz KYECOUHDVIURBV-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000125497118 431927388 /nfs/dbraw/zinc/92/73/88/431927388.db2.gz KYECOUHDVIURBV-CYBMUJFWSA-N 2 1 318.852 3.114 20 0 DGADMP CCO[C@H]1C[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125498168 431927655 /nfs/dbraw/zinc/92/76/55/431927655.db2.gz ZDSIBZQVEXRAHK-IRXDYDNUSA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125498168 431927656 /nfs/dbraw/zinc/92/76/56/431927656.db2.gz ZDSIBZQVEXRAHK-IRXDYDNUSA-N 2 1 305.466 3.251 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125719183 431934615 /nfs/dbraw/zinc/93/46/15/431934615.db2.gz JWIWNDNFEFIMNP-DOTOQJQBSA-N 2 1 317.477 3.416 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000125719183 431934616 /nfs/dbraw/zinc/93/46/16/431934616.db2.gz JWIWNDNFEFIMNP-DOTOQJQBSA-N 2 1 317.477 3.416 20 0 DGADMP Cc1csc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000126219624 431945554 /nfs/dbraw/zinc/94/55/54/431945554.db2.gz TUIMXWAREQBLCD-AWEZNQCLSA-N 2 1 319.474 3.243 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccn(C)c1 ZINC000126723269 431957335 /nfs/dbraw/zinc/95/73/35/431957335.db2.gz WFMYZFRTHMGRDF-XEWABKELSA-N 2 1 311.473 3.271 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829520 431958663 /nfs/dbraw/zinc/95/86/63/431958663.db2.gz NYBXYCLNLIINHJ-CABCVRRESA-N 2 1 318.490 3.044 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126829520 431958665 /nfs/dbraw/zinc/95/86/65/431958665.db2.gz NYBXYCLNLIINHJ-CABCVRRESA-N 2 1 318.490 3.044 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000127312085 431969072 /nfs/dbraw/zinc/96/90/72/431969072.db2.gz VWDGIOGVDSDVLI-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Br)c1 ZINC000127312085 431969073 /nfs/dbraw/zinc/96/90/73/431969073.db2.gz VWDGIOGVDSDVLI-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127870747 431983303 /nfs/dbraw/zinc/98/33/03/431983303.db2.gz CHIMSHVKNIHEFC-FHSNZYRGSA-N 2 1 303.425 3.168 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423490493 281092541 /nfs/dbraw/zinc/09/25/41/281092541.db2.gz YWIAHSSUPXDQAP-ZFWWWQNUSA-N 2 1 310.388 3.043 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000127911425 431984004 /nfs/dbraw/zinc/98/40/04/431984004.db2.gz RCOLSNSDTKZRAU-TZMCWYRMSA-N 2 1 311.267 3.330 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSc3ccc(OC)cc32)C1 ZINC000191497584 432270979 /nfs/dbraw/zinc/27/09/79/432270979.db2.gz IMMJOQKUBFBOCR-XJKSGUPXSA-N 2 1 306.475 3.164 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCO[C@@H]21 ZINC000151731811 432271290 /nfs/dbraw/zinc/27/12/90/432271290.db2.gz ZQAFDACJZXFONM-QRVBRYPASA-N 2 1 314.473 3.054 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248173118 432274815 /nfs/dbraw/zinc/27/48/15/432274815.db2.gz VCMRRKQJNYVNFD-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000270691660 432276672 /nfs/dbraw/zinc/27/66/72/432276672.db2.gz XUCCJUCTTHOHHL-UHFFFAOYSA-N 2 1 308.223 3.086 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(Br)cc1 ZINC000270691660 432276675 /nfs/dbraw/zinc/27/66/75/432276675.db2.gz XUCCJUCTTHOHHL-UHFFFAOYSA-N 2 1 308.223 3.086 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397584 432285278 /nfs/dbraw/zinc/28/52/78/432285278.db2.gz IBSARLPISGJQGP-MPGHIAIKSA-N 2 1 316.493 3.040 20 0 DGADMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000151914236 432288400 /nfs/dbraw/zinc/28/84/00/432288400.db2.gz WXVCFIDHNKWMDK-AWEZNQCLSA-N 2 1 315.230 3.117 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000151906764 432289400 /nfs/dbraw/zinc/28/94/00/432289400.db2.gz ZQXYOIUQCJRAKK-ZDUSSCGKSA-N 2 1 320.868 3.436 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccoc1 ZINC000248433559 432291072 /nfs/dbraw/zinc/29/10/72/432291072.db2.gz DFABEGVZMFZTIN-KXBFYZLASA-N 2 1 314.429 3.087 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248438282 432292581 /nfs/dbraw/zinc/29/25/81/432292581.db2.gz HTBNFKIQSHPRTH-FCEWJHQRSA-N 2 1 304.478 3.168 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270829707 432294613 /nfs/dbraw/zinc/29/46/13/432294613.db2.gz CRSAKDUNLAXAPU-QGZVFWFLSA-N 2 1 323.444 3.014 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000270829707 432294619 /nfs/dbraw/zinc/29/46/19/432294619.db2.gz CRSAKDUNLAXAPU-QGZVFWFLSA-N 2 1 323.444 3.014 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000248462465 432295074 /nfs/dbraw/zinc/29/50/74/432295074.db2.gz YIJVFVRIUUHUFU-XLIONFOSSA-N 2 1 314.473 3.089 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC(C)(C)O1 ZINC000248565346 432301891 /nfs/dbraw/zinc/30/18/91/432301891.db2.gz IIBBOYZLVVDJME-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC(C)(C)O1 ZINC000248565346 432301894 /nfs/dbraw/zinc/30/18/94/432301894.db2.gz IIBBOYZLVVDJME-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC(C)(C)O1 ZINC000248565346 432301899 /nfs/dbraw/zinc/30/18/99/432301899.db2.gz IIBBOYZLVVDJME-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC(C)(C)O1 ZINC000248565343 432302283 /nfs/dbraw/zinc/30/22/83/432302283.db2.gz IIBBOYZLVVDJME-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC(C)(C)O1 ZINC000248565343 432302286 /nfs/dbraw/zinc/30/22/86/432302286.db2.gz IIBBOYZLVVDJME-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC(C)(C)O1 ZINC000248565343 432302290 /nfs/dbraw/zinc/30/22/90/432302290.db2.gz IIBBOYZLVVDJME-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000191411952 432262313 /nfs/dbraw/zinc/26/23/13/432262313.db2.gz WJHKTHRSNVLCPZ-UHFFFAOYSA-N 2 1 323.912 3.188 20 0 DGADMP CCN(CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000248042464 432262875 /nfs/dbraw/zinc/26/28/75/432262875.db2.gz UCXLKFZNFSIAIL-PKOBYXMFSA-N 2 1 303.494 3.223 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036992 432263622 /nfs/dbraw/zinc/26/36/22/432263622.db2.gz RYMYORVAPYQTSR-GMBSWORKSA-N 2 1 318.461 3.227 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036992 432263624 /nfs/dbraw/zinc/26/36/24/432263624.db2.gz RYMYORVAPYQTSR-GMBSWORKSA-N 2 1 318.461 3.227 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000248047975 432264018 /nfs/dbraw/zinc/26/40/18/432264018.db2.gz VQHYIHOCPQFVSL-LMMKCTJWSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000191453911 432266320 /nfs/dbraw/zinc/26/63/20/432266320.db2.gz UUUQJQGAXBYLBL-QGZVFWFLSA-N 2 1 321.484 3.235 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000248075375 432266827 /nfs/dbraw/zinc/26/68/27/432266827.db2.gz MXBAVBGALUZSQB-BRSBDYLESA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248075375 432266830 /nfs/dbraw/zinc/26/68/30/432266830.db2.gz MXBAVBGALUZSQB-BRSBDYLESA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000248075375 432266834 /nfs/dbraw/zinc/26/68/34/432266834.db2.gz MXBAVBGALUZSQB-BRSBDYLESA-N 2 1 309.542 3.205 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249000516 432332401 /nfs/dbraw/zinc/33/24/01/432332401.db2.gz QKUOVHRDXZAMTG-KNJMJIDISA-N 2 1 314.473 3.075 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192131447 432334730 /nfs/dbraw/zinc/33/47/30/432334730.db2.gz AZOHBBZJLVEAQQ-SJORKVTESA-N 2 1 312.404 3.116 20 0 DGADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000271148583 432336874 /nfs/dbraw/zinc/33/68/74/432336874.db2.gz BUXGWRNFERYKNK-UHFFFAOYSA-N 2 1 320.868 3.000 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000271143293 432337542 /nfs/dbraw/zinc/33/75/42/432337542.db2.gz QDQGLLSZEBBOOF-UHFFFAOYSA-N 2 1 320.868 3.151 20 0 DGADMP CC[N@@H+](CCOCC1CC1)CC1CCN(c2ccccn2)CC1 ZINC000174393510 432344455 /nfs/dbraw/zinc/34/44/55/432344455.db2.gz MZXHNEVYHALLCJ-UHFFFAOYSA-N 2 1 317.477 3.047 20 0 DGADMP COC[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000271177833 432345977 /nfs/dbraw/zinc/34/59/77/432345977.db2.gz LDLKMYMLZJYUHM-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP COC[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271177833 432345981 /nfs/dbraw/zinc/34/59/81/432345981.db2.gz LDLKMYMLZJYUHM-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP COC[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271177833 432345985 /nfs/dbraw/zinc/34/59/85/432345985.db2.gz LDLKMYMLZJYUHM-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738975 432313945 /nfs/dbraw/zinc/31/39/45/432313945.db2.gz POWNRMKVHMTIOA-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738975 432313949 /nfs/dbraw/zinc/31/39/49/432313949.db2.gz POWNRMKVHMTIOA-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738975 432313954 /nfs/dbraw/zinc/31/39/54/432313954.db2.gz POWNRMKVHMTIOA-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccco4)s3)CC[C@H]21 ZINC000248738975 432313957 /nfs/dbraw/zinc/31/39/57/432313957.db2.gz POWNRMKVHMTIOA-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152211437 432314125 /nfs/dbraw/zinc/31/41/25/432314125.db2.gz JZRQMIJHZVTDOI-GMTAPVOTSA-N 2 1 321.412 3.023 20 0 DGADMP Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000174809869 432372731 /nfs/dbraw/zinc/37/27/31/432372731.db2.gz QRJUJQMWPHBJEQ-SFHVURJKSA-N 2 1 309.413 3.383 20 0 DGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C(=O)OC)CC1)CC(C)C ZINC000192438830 432373870 /nfs/dbraw/zinc/37/38/70/432373870.db2.gz AVFUFJKFIJNVEH-OFLPRAFFSA-N 2 1 312.498 3.064 20 0 DGADMP Brc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673156 432386167 /nfs/dbraw/zinc/38/61/67/432386167.db2.gz GVZATCUNMIPJKX-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673156 432386170 /nfs/dbraw/zinc/38/61/70/432386170.db2.gz GVZATCUNMIPJKX-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP c1ccc(CSCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000192599935 432391852 /nfs/dbraw/zinc/39/18/52/432391852.db2.gz BMNMVFWQLZKRFK-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000192718050 432405791 /nfs/dbraw/zinc/40/57/91/432405791.db2.gz UUTDPNTYXPLPNX-OALUTQOASA-N 2 1 307.526 3.057 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000261549841 432431079 /nfs/dbraw/zinc/43/10/79/432431079.db2.gz KTUVIHPKELFEJL-ZDUSSCGKSA-N 2 1 303.219 3.051 20 0 DGADMP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C(C)C ZINC000153723598 432435334 /nfs/dbraw/zinc/43/53/34/432435334.db2.gz ZLFHOCBWQNHIRQ-INIZCTEOSA-N 2 1 305.397 3.080 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@H]21 ZINC000261797822 432450882 /nfs/dbraw/zinc/45/08/82/432450882.db2.gz GTJTYZWGBWTEAB-QXAKKESOSA-N 2 1 300.446 3.035 20 0 DGADMP NC1(c2noc([C@H]3CCCN3Cc3ccccc3)n2)CCCC1 ZINC000261859046 432455619 /nfs/dbraw/zinc/45/56/19/432455619.db2.gz UELIUQFHLXLLFF-OAHLLOKOSA-N 2 1 312.417 3.135 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000184578226 432408457 /nfs/dbraw/zinc/40/84/57/432408457.db2.gz HGDBVBRMILUEMP-HYVNUMGLSA-N 2 1 302.462 3.187 20 0 DGADMP Fc1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000271529577 432414806 /nfs/dbraw/zinc/41/48/06/432414806.db2.gz KGKJFVJEAZGRAT-ROUUACIJSA-N 2 1 302.437 3.365 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000271907250 432427785 /nfs/dbraw/zinc/42/77/85/432427785.db2.gz XCTKYULWHBFGQQ-MRXNPFEDSA-N 2 1 306.837 3.405 20 0 DGADMP Cc1nc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259818 432472496 /nfs/dbraw/zinc/47/24/96/432472496.db2.gz ZWKMNPRFGAFIEN-RHSMWYFYSA-N 2 1 315.486 3.452 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000193461544 432473855 /nfs/dbraw/zinc/47/38/55/432473855.db2.gz UENWPKAWDPOPGB-QGZVFWFLSA-N 2 1 317.477 3.069 20 0 DGADMP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000185196710 432476530 /nfs/dbraw/zinc/47/65/30/432476530.db2.gz ZNQDEHYIAUTFSH-SFHVURJKSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H](Nc1ncnc2[nH]ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321384 432480618 /nfs/dbraw/zinc/48/06/18/432480618.db2.gz UCDUEGHSTHXBNJ-GDBMZVCRSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272321384 432480621 /nfs/dbraw/zinc/48/06/21/432480621.db2.gz UCDUEGHSTHXBNJ-GDBMZVCRSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321384 432480622 /nfs/dbraw/zinc/48/06/22/432480622.db2.gz UCDUEGHSTHXBNJ-GDBMZVCRSA-N 2 1 321.428 3.280 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000262378194 432484411 /nfs/dbraw/zinc/48/44/11/432484411.db2.gz YLWCOVBSIWFXPT-QBPKDAKJSA-N 2 1 321.534 3.251 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262398032 432484539 /nfs/dbraw/zinc/48/45/39/432484539.db2.gz CAJXKIZUAZHYNG-BNOWGMLFSA-N 2 1 314.351 3.188 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000185272987 432486346 /nfs/dbraw/zinc/48/63/46/432486346.db2.gz AQLYKXZGLFGOPT-GOEBONIOSA-N 2 1 320.452 3.087 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262563367 432491263 /nfs/dbraw/zinc/49/12/63/432491263.db2.gz WBEFXZXEDSFOKF-WCUVEOEZSA-N 2 1 314.351 3.315 20 0 DGADMP C[C@H]([NH2+]CCCCCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272411288 432497600 /nfs/dbraw/zinc/49/76/00/432497600.db2.gz FQPCVOQEPIROED-PKOBYXMFSA-N 2 1 304.478 3.039 20 0 DGADMP COCCCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455691 432505894 /nfs/dbraw/zinc/50/58/94/432505894.db2.gz JWSXWXCRGVYSPO-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CCSc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000185528672 432508919 /nfs/dbraw/zinc/50/89/19/432508919.db2.gz IOBWBSDBKDWNBO-KRWDZBQOSA-N 2 1 322.518 3.125 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n1-c1ccccc1 ZINC000176756656 432549821 /nfs/dbraw/zinc/54/98/21/432549821.db2.gz SPWJELFEBQQQMY-OAHLLOKOSA-N 2 1 323.444 3.112 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273135754 432556459 /nfs/dbraw/zinc/55/64/59/432556459.db2.gz CWLLQASCMJBZQN-HOTGVXAUSA-N 2 1 302.462 3.447 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000193977748 432514021 /nfs/dbraw/zinc/51/40/21/432514021.db2.gz KOKZDJLTKKKPJQ-VSZNYVQBSA-N 2 1 306.494 3.044 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272594704 432529889 /nfs/dbraw/zinc/52/98/89/432529889.db2.gz XRLNTXMFCKZQAH-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185757587 432530807 /nfs/dbraw/zinc/53/08/07/432530807.db2.gz BJQXNPPVSZWRPN-OGWOLHLISA-N 2 1 320.452 3.102 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC000264044105 432608069 /nfs/dbraw/zinc/60/80/69/432608069.db2.gz KRZRLIVAUHVCHJ-QAPCUYQASA-N 2 1 315.461 3.094 20 0 DGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000264044105 432608072 /nfs/dbraw/zinc/60/80/72/432608072.db2.gz KRZRLIVAUHVCHJ-QAPCUYQASA-N 2 1 315.461 3.094 20 0 DGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000264044105 432608075 /nfs/dbraw/zinc/60/80/75/432608075.db2.gz KRZRLIVAUHVCHJ-QAPCUYQASA-N 2 1 315.461 3.094 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000156220824 432591411 /nfs/dbraw/zinc/59/14/11/432591411.db2.gz ATMXWIKKTOMXHU-NEWSRXKRSA-N 2 1 304.478 3.302 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+](C)C3)oc21 ZINC000194989140 432592550 /nfs/dbraw/zinc/59/25/50/432592550.db2.gz IHRPDZOYECAYDD-KGLIPLIRSA-N 2 1 302.418 3.434 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C)C3)oc21 ZINC000194989140 432592556 /nfs/dbraw/zinc/59/25/56/432592556.db2.gz IHRPDZOYECAYDD-KGLIPLIRSA-N 2 1 302.418 3.434 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000156312375 432594974 /nfs/dbraw/zinc/59/49/74/432594974.db2.gz YICJOHJJFTVLKJ-HZPDHXFCSA-N 2 1 311.473 3.265 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000156416796 432597144 /nfs/dbraw/zinc/59/71/44/432597144.db2.gz HPIWEYDRDLQRBJ-QAPCUYQASA-N 2 1 317.408 3.374 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000177213080 432599730 /nfs/dbraw/zinc/59/97/30/432599730.db2.gz PLFHPUXRUWOVDC-INIZCTEOSA-N 2 1 323.912 3.408 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000273481740 432603632 /nfs/dbraw/zinc/60/36/32/432603632.db2.gz IDIYTZYMZKDGCE-MRXNPFEDSA-N 2 1 305.422 3.178 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000273656626 432622363 /nfs/dbraw/zinc/62/23/63/432622363.db2.gz DHRLSLYVNDXHKU-QRQLOZEOSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000273656626 432622366 /nfs/dbraw/zinc/62/23/66/432622366.db2.gz DHRLSLYVNDXHKU-QRQLOZEOSA-N 2 1 318.505 3.426 20 0 DGADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CCCC2)c1 ZINC000157882121 432633092 /nfs/dbraw/zinc/63/30/92/432633092.db2.gz SOXUGCKBYBYRDL-LPHOPBHVSA-N 2 1 316.489 3.437 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000158215640 432640913 /nfs/dbraw/zinc/64/09/13/432640913.db2.gz RTKWPEQOLVAQNE-UONOGXRCSA-N 2 1 308.491 3.410 20 0 DGADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000274267084 432645640 /nfs/dbraw/zinc/64/56/40/432645640.db2.gz WAENIWMQSFTXOB-KDOFPFPSSA-N 2 1 308.441 3.364 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)CC[C@@H]21 ZINC000158497682 432647352 /nfs/dbraw/zinc/64/73/52/432647352.db2.gz DGHGBAGEGLUTMR-KDOFPFPSSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CC[C@@H]21 ZINC000158497682 432647355 /nfs/dbraw/zinc/64/73/55/432647355.db2.gz DGHGBAGEGLUTMR-KDOFPFPSSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CC[C@@H]21 ZINC000158497682 432647357 /nfs/dbraw/zinc/64/73/57/432647357.db2.gz DGHGBAGEGLUTMR-KDOFPFPSSA-N 2 1 313.420 3.290 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)cc4cccnc43)CC[C@@H]21 ZINC000158495867 432647452 /nfs/dbraw/zinc/64/74/52/432647452.db2.gz FDCVYZYFIFMPFA-YJBOKZPZSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CC[C@@H]21 ZINC000158495867 432647454 /nfs/dbraw/zinc/64/74/54/432647454.db2.gz FDCVYZYFIFMPFA-YJBOKZPZSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CC[C@@H]21 ZINC000158495867 432647459 /nfs/dbraw/zinc/64/74/59/432647459.db2.gz FDCVYZYFIFMPFA-YJBOKZPZSA-N 2 1 313.420 3.290 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158789119 432659460 /nfs/dbraw/zinc/65/94/60/432659460.db2.gz XMWRZDHMDPZAMA-UYAOXDASSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158789119 432659464 /nfs/dbraw/zinc/65/94/64/432659464.db2.gz XMWRZDHMDPZAMA-UYAOXDASSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158789119 432659469 /nfs/dbraw/zinc/65/94/69/432659469.db2.gz XMWRZDHMDPZAMA-UYAOXDASSA-N 2 1 316.489 3.488 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158909154 432661912 /nfs/dbraw/zinc/66/19/12/432661912.db2.gz DDJVIODXJGNLLS-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158909154 432661914 /nfs/dbraw/zinc/66/19/14/432661914.db2.gz DDJVIODXJGNLLS-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(F)cc3)CC[C@@H]21 ZINC000158920233 432662267 /nfs/dbraw/zinc/66/22/67/432662267.db2.gz YREZEIIDVYGZBB-PBHICJAKSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccc(F)cc3)CC[C@@H]21 ZINC000158920233 432662270 /nfs/dbraw/zinc/66/22/70/432662270.db2.gz YREZEIIDVYGZBB-PBHICJAKSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3)CC[C@@H]21 ZINC000158920233 432662275 /nfs/dbraw/zinc/66/22/75/432662275.db2.gz YREZEIIDVYGZBB-PBHICJAKSA-N 2 1 308.466 3.334 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccc(F)cc3)CC[C@@H]21 ZINC000158920108 432663219 /nfs/dbraw/zinc/66/32/19/432663219.db2.gz YREZEIIDVYGZBB-YOEHRIQHSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccc(F)cc3)CC[C@@H]21 ZINC000158920108 432663222 /nfs/dbraw/zinc/66/32/22/432663222.db2.gz YREZEIIDVYGZBB-YOEHRIQHSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccc(F)cc3)CC[C@@H]21 ZINC000158920108 432663225 /nfs/dbraw/zinc/66/32/25/432663225.db2.gz YREZEIIDVYGZBB-YOEHRIQHSA-N 2 1 308.466 3.334 20 0 DGADMP C[C@@H]1C[C@H](NCc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102107 432694923 /nfs/dbraw/zinc/69/49/23/432694923.db2.gz MWHYLSRLYDSDEV-RHSMWYFYSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCN1C ZINC000178102107 432694927 /nfs/dbraw/zinc/69/49/27/432694927.db2.gz MWHYLSRLYDSDEV-RHSMWYFYSA-N 2 1 318.461 3.214 20 0 DGADMP Cc1nccnc1[C@@H](C)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188101094 432703286 /nfs/dbraw/zinc/70/32/86/432703286.db2.gz PGNPZXBVYNTWLT-HZPDHXFCSA-N 2 1 312.461 3.346 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000226417409 432706240 /nfs/dbraw/zinc/70/62/40/432706240.db2.gz UBNJHMNUUXNBDF-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178234225 432710435 /nfs/dbraw/zinc/71/04/35/432710435.db2.gz KQONPPUXASUEBN-CVEARBPZSA-N 2 1 310.507 3.365 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178234225 432710439 /nfs/dbraw/zinc/71/04/39/432710439.db2.gz KQONPPUXASUEBN-CVEARBPZSA-N 2 1 310.507 3.365 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000227372326 432712629 /nfs/dbraw/zinc/71/26/29/432712629.db2.gz QQPRINPGPSTEFS-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000227372326 432712630 /nfs/dbraw/zinc/71/26/30/432712630.db2.gz QQPRINPGPSTEFS-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC000228534791 432719204 /nfs/dbraw/zinc/71/92/04/432719204.db2.gz GRHJGLQPVFLQOR-NWANDNLSSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC000228534791 432719206 /nfs/dbraw/zinc/71/92/06/432719206.db2.gz GRHJGLQPVFLQOR-NWANDNLSSA-N 2 1 309.251 3.008 20 0 DGADMP CCCCc1nc2ccc(NC(=O)[C@H](CC)[NH+](C)C)cc2[nH]1 ZINC000177971405 432680732 /nfs/dbraw/zinc/68/07/32/432680732.db2.gz RCXMXASXSGCBGD-HNNXBMFYSA-N 2 1 302.422 3.184 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000177979420 432682148 /nfs/dbraw/zinc/68/21/48/432682148.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979420 432682151 /nfs/dbraw/zinc/68/21/51/432682151.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979420 432682155 /nfs/dbraw/zinc/68/21/55/432682155.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979420 432682158 /nfs/dbraw/zinc/68/21/58/432682158.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979420 432682161 /nfs/dbraw/zinc/68/21/61/432682161.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 2 1 315.505 3.242 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)C[C@H](C)O1 ZINC000178033759 432686353 /nfs/dbraw/zinc/68/63/53/432686353.db2.gz COPNXTBGIKABTJ-ZRGWGRIASA-N 2 1 320.452 3.292 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038688 432688208 /nfs/dbraw/zinc/68/82/08/432688208.db2.gz RWURPOQUJDCTDZ-NSHGMRRFSA-N 2 1 318.505 3.487 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275770552 432746949 /nfs/dbraw/zinc/74/69/49/432746949.db2.gz UXEBIHLLPOQUKH-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189045060 432760891 /nfs/dbraw/zinc/76/08/91/432760891.db2.gz WIWFGPHHUHHUOY-LJQANCHMSA-N 2 1 314.473 3.331 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000178695387 432766497 /nfs/dbraw/zinc/76/64/97/432766497.db2.gz UONMKWZZDHZKAO-HNNXBMFYSA-N 2 1 310.445 3.413 20 0 DGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275548629 432728348 /nfs/dbraw/zinc/72/83/48/432728348.db2.gz NFWYQOGKVWJPOT-IAQYHMDHSA-N 2 1 303.356 3.001 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000178442418 432737195 /nfs/dbraw/zinc/73/71/95/432737195.db2.gz KLTAYMOYDAFCGG-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000178442418 432737199 /nfs/dbraw/zinc/73/71/99/432737199.db2.gz KLTAYMOYDAFCGG-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn(C)c2c1 ZINC000188696957 432740295 /nfs/dbraw/zinc/74/02/95/432740295.db2.gz BIVOCPQFJNYTDJ-TXPKVOOTSA-N 2 1 313.489 3.348 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(Br)cs2)CC[NH2+]1 ZINC000235697561 432743789 /nfs/dbraw/zinc/74/37/89/432743789.db2.gz ALKNEJOQBLXJNR-QWRGUYRKSA-N 2 1 317.296 3.331 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000162322987 432820515 /nfs/dbraw/zinc/82/05/15/432820515.db2.gz JBFPVVKMDRPRHY-UHFFFAOYSA-N 2 1 300.450 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000162322987 432820517 /nfs/dbraw/zinc/82/05/17/432820517.db2.gz JBFPVVKMDRPRHY-UHFFFAOYSA-N 2 1 300.450 3.170 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000245467964 432834604 /nfs/dbraw/zinc/83/46/04/432834604.db2.gz SRGPDXYCOZOAPE-HZPDHXFCSA-N 2 1 320.477 3.475 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000162846709 432835684 /nfs/dbraw/zinc/83/56/84/432835684.db2.gz JLIKDLXVXXPQLP-FUHIMQAGSA-N 2 1 316.489 3.023 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000161783699 432797916 /nfs/dbraw/zinc/79/79/16/432797916.db2.gz XANYBDVEVLQEOS-AOMKIAJQSA-N 2 1 322.518 3.197 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000276466821 432809984 /nfs/dbraw/zinc/80/99/84/432809984.db2.gz XOWUSFSBMRKYRQ-QFHJOOASSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000245740021 432860397 /nfs/dbraw/zinc/86/03/97/432860397.db2.gz RKGJOLJBQHOZHY-XCZFOBESSA-N 2 1 314.473 3.339 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245913396 432869214 /nfs/dbraw/zinc/86/92/14/432869214.db2.gz DTGCKOHNOIWIJH-SLFFLAALSA-N 2 1 315.505 3.286 20 0 DGADMP CN(CC[N@@H+](C)[C@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000245972803 432873635 /nfs/dbraw/zinc/87/36/35/432873635.db2.gz FXIBFILDMCREGF-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163445849 432852725 /nfs/dbraw/zinc/85/27/25/432852725.db2.gz IMDOQJBUFSSHBG-YPMHNXCESA-N 2 1 302.340 3.002 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000163541746 432855178 /nfs/dbraw/zinc/85/51/78/432855178.db2.gz BUNNPTSHLJKLSM-APWZRJJASA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000163541746 432855182 /nfs/dbraw/zinc/85/51/82/432855182.db2.gz BUNNPTSHLJKLSM-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000163541746 432855185 /nfs/dbraw/zinc/85/51/85/432855185.db2.gz BUNNPTSHLJKLSM-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000163541746 432855189 /nfs/dbraw/zinc/85/51/89/432855189.db2.gz BUNNPTSHLJKLSM-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000278963700 432922287 /nfs/dbraw/zinc/92/22/87/432922287.db2.gz MRGVEJOEEZXXBX-DGCLKSJQSA-N 2 1 304.463 3.124 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278965301 432922579 /nfs/dbraw/zinc/92/25/79/432922579.db2.gz MWKJKLOPBLXZLJ-HOTGVXAUSA-N 2 1 313.445 3.422 20 0 DGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278971512 432923442 /nfs/dbraw/zinc/92/34/42/432923442.db2.gz NQCYNBGLWCRLCN-PKOBYXMFSA-N 2 1 309.457 3.365 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCO2 ZINC000279049079 432929868 /nfs/dbraw/zinc/92/98/68/432929868.db2.gz XXZMDJDXZWQQOM-RHSMWYFYSA-N 2 1 311.429 3.121 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000289238895 432937135 /nfs/dbraw/zinc/93/71/35/432937135.db2.gz MPWRXTBTTYGKPK-XHSDSOJGSA-N 2 1 304.409 3.038 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000289238895 432937139 /nfs/dbraw/zinc/93/71/39/432937139.db2.gz MPWRXTBTTYGKPK-XHSDSOJGSA-N 2 1 304.409 3.038 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(C)(C)CO)CC1 ZINC000296380402 432902009 /nfs/dbraw/zinc/90/20/09/432902009.db2.gz JOPLJYCBGQNUMA-UHFFFAOYSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H](CC[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000278936623 432918799 /nfs/dbraw/zinc/91/87/99/432918799.db2.gz WZEHKKNTLUBCRN-GOSISDBHSA-N 2 1 316.489 3.415 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1O ZINC000289542730 432967279 /nfs/dbraw/zinc/96/72/79/432967279.db2.gz BRYWWQYBFDCEMB-GFCCVEGCSA-N 2 1 306.450 3.361 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+](C)CCCn3ccnc3)co2)cc1 ZINC000341131113 432969520 /nfs/dbraw/zinc/96/95/20/432969520.db2.gz CGVGAWNDVMSYMB-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](O)C(C)(C)C ZINC000290136929 432997269 /nfs/dbraw/zinc/99/72/69/432997269.db2.gz ZUGVEUZDCRRXJP-YJBOKZPZSA-N 2 1 315.461 3.216 20 0 DGADMP Cc1cccnc1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000279281361 432952573 /nfs/dbraw/zinc/95/25/73/432952573.db2.gz OKAIYBOPYNPECV-UHFFFAOYSA-N 2 1 317.477 3.109 20 0 DGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000331715373 432960018 /nfs/dbraw/zinc/96/00/18/432960018.db2.gz NMCZAICOUZRJJT-RHSMWYFYSA-N 2 1 319.424 3.040 20 0 DGADMP CC(C)(CO)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297749752 433013418 /nfs/dbraw/zinc/01/34/18/433013418.db2.gz UFPVAANHKGOMLH-LJQANCHMSA-N 2 1 316.489 3.005 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250253 433021094 /nfs/dbraw/zinc/02/10/94/433021094.db2.gz UENNFNDQIBBYMU-HBFSDRIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290250253 433021098 /nfs/dbraw/zinc/02/10/98/433021098.db2.gz UENNFNDQIBBYMU-HBFSDRIKSA-N 3 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250253 433021099 /nfs/dbraw/zinc/02/10/99/433021099.db2.gz UENNFNDQIBBYMU-HBFSDRIKSA-N 3 1 317.521 3.215 20 0 DGADMP CCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290353174 433037119 /nfs/dbraw/zinc/03/71/19/433037119.db2.gz GFPOKRICVIYXPM-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290353174 433037122 /nfs/dbraw/zinc/03/71/22/433037122.db2.gz GFPOKRICVIYXPM-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000290353174 433037126 /nfs/dbraw/zinc/03/71/26/433037126.db2.gz GFPOKRICVIYXPM-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000290353174 433037131 /nfs/dbraw/zinc/03/71/31/433037131.db2.gz GFPOKRICVIYXPM-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418134 433047837 /nfs/dbraw/zinc/04/78/37/433047837.db2.gz KNVCYKLZVHMGIE-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418134 433047840 /nfs/dbraw/zinc/04/78/40/433047840.db2.gz KNVCYKLZVHMGIE-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418134 433047847 /nfs/dbraw/zinc/04/78/47/433047847.db2.gz KNVCYKLZVHMGIE-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290418134 433047851 /nfs/dbraw/zinc/04/78/51/433047851.db2.gz KNVCYKLZVHMGIE-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000280473664 433056452 /nfs/dbraw/zinc/05/64/52/433056452.db2.gz CWHCCOXGOKFECW-XLIONFOSSA-N 2 1 315.505 3.223 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000280473667 433057066 /nfs/dbraw/zinc/05/70/66/433057066.db2.gz CWHCCOXGOKFECW-YLJYHZDGSA-N 2 1 315.505 3.223 20 0 DGADMP c1ccc(N2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000280504359 433064407 /nfs/dbraw/zinc/06/44/07/433064407.db2.gz GKXOXKQEDPTEMQ-UYAOXDASSA-N 2 1 313.489 3.119 20 0 DGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000333750568 433099722 /nfs/dbraw/zinc/09/97/22/433099722.db2.gz YXWDRCUGTSGOEC-CZUORRHYSA-N 2 1 317.458 3.019 20 0 DGADMP CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](C)O ZINC000453327918 433095895 /nfs/dbraw/zinc/09/58/95/433095895.db2.gz PLZUNMSDUIPYQD-GWFLUQINSA-N 2 1 304.478 3.179 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000453336684 433097855 /nfs/dbraw/zinc/09/78/55/433097855.db2.gz AMGACNDSTBZZFV-RKVZRBGQSA-N 2 1 302.462 3.260 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000354514002 433122920 /nfs/dbraw/zinc/12/29/20/433122920.db2.gz ZYRJOKNTQVSDEO-UHFFFAOYSA-N 2 1 321.465 3.073 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000290634666 433125692 /nfs/dbraw/zinc/12/56/92/433125692.db2.gz YEDOIIJJFMHLIW-MPGHIAIKSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000290634666 433125700 /nfs/dbraw/zinc/12/57/00/433125700.db2.gz YEDOIIJJFMHLIW-MPGHIAIKSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000290634666 433125713 /nfs/dbraw/zinc/12/57/13/433125713.db2.gz YEDOIIJJFMHLIW-MPGHIAIKSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000290634666 433125723 /nfs/dbraw/zinc/12/57/23/433125723.db2.gz YEDOIIJJFMHLIW-MPGHIAIKSA-N 2 1 322.468 3.285 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000420309142 433154230 /nfs/dbraw/zinc/15/42/30/433154230.db2.gz OJDNZCMRZMCHSE-LZWOXQAQSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000420309142 433154233 /nfs/dbraw/zinc/15/42/33/433154233.db2.gz OJDNZCMRZMCHSE-LZWOXQAQSA-N 2 1 308.853 3.296 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)[C@@H]1C ZINC000354535825 433136498 /nfs/dbraw/zinc/13/64/98/433136498.db2.gz CTMCDKQVRDYJDC-OWSLCNJRSA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)[C@@H]1C ZINC000354535825 433136504 /nfs/dbraw/zinc/13/65/04/433136504.db2.gz CTMCDKQVRDYJDC-OWSLCNJRSA-N 2 1 324.509 3.064 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000354535208 433136964 /nfs/dbraw/zinc/13/69/64/433136964.db2.gz BZPPYPIICZDDCC-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000354535208 433136971 /nfs/dbraw/zinc/13/69/71/433136971.db2.gz BZPPYPIICZDDCC-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000373254413 433145857 /nfs/dbraw/zinc/14/58/57/433145857.db2.gz YTOQIHNAKDTVPH-MVBLQPKNSA-N 2 1 314.473 3.054 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@H](C)c2ccccc2)cc1 ZINC000420297928 433148037 /nfs/dbraw/zinc/14/80/37/433148037.db2.gz GQKLQJAMINDUPB-QFBILLFUSA-N 2 1 312.457 3.473 20 0 DGADMP C[N@@H+](CCCC[NH2+]C1CCN(c2ccccc2)CC1)C1CC1 ZINC000453394458 433151316 /nfs/dbraw/zinc/15/13/16/433151316.db2.gz GVKHNAPHOJOSBP-UHFFFAOYSA-N 2 1 301.478 3.119 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304888 433152967 /nfs/dbraw/zinc/15/29/67/433152967.db2.gz OVUHHVPFLLWXNL-RKVPGOIHSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304888 433152980 /nfs/dbraw/zinc/15/29/80/433152980.db2.gz OVUHHVPFLLWXNL-RKVPGOIHSA-N 2 1 322.880 3.492 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1OC ZINC000290566953 433101585 /nfs/dbraw/zinc/10/15/85/433101585.db2.gz STBLEQUIPOBPAN-UHFFFAOYSA-N 2 1 301.434 3.366 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1OC ZINC000290566953 433101591 /nfs/dbraw/zinc/10/15/91/433101591.db2.gz STBLEQUIPOBPAN-UHFFFAOYSA-N 2 1 301.434 3.366 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000290574308 433101808 /nfs/dbraw/zinc/10/18/08/433101808.db2.gz UBHNRHHYVZLGNI-UHFFFAOYSA-N 2 1 309.417 3.104 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000290574308 433101814 /nfs/dbraw/zinc/10/18/14/433101814.db2.gz UBHNRHHYVZLGNI-UHFFFAOYSA-N 2 1 309.417 3.104 20 0 DGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)CC ZINC000453342500 433102108 /nfs/dbraw/zinc/10/21/08/433102108.db2.gz CPRSYKICPMQTDD-IVDHNXQLSA-N 2 1 316.489 3.321 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000453342320 433104117 /nfs/dbraw/zinc/10/41/17/433104117.db2.gz LSQWGDWUSWNJJZ-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453343913 433110028 /nfs/dbraw/zinc/11/00/28/433110028.db2.gz DMTINKCOOJKHDZ-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453343913 433110036 /nfs/dbraw/zinc/11/00/36/433110036.db2.gz DMTINKCOOJKHDZ-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000361345242 433120171 /nfs/dbraw/zinc/12/01/71/433120171.db2.gz IGLOKMGXLFCYMO-AZUAARDMSA-N 2 1 316.489 3.137 20 0 DGADMP Cc1nc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)sc1C ZINC000420315686 433158004 /nfs/dbraw/zinc/15/80/04/433158004.db2.gz LCSXJUPLIPSKEO-HOTGVXAUSA-N 2 1 307.507 3.329 20 0 DGADMP c1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000420318734 433158073 /nfs/dbraw/zinc/15/80/73/433158073.db2.gz ORLHCZDSAAIMIG-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420313652 433158286 /nfs/dbraw/zinc/15/82/86/433158286.db2.gz YIIMXMPVDLODQI-LZLYRXPVSA-N 2 1 322.518 3.344 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420310916 433160511 /nfs/dbraw/zinc/16/05/11/433160511.db2.gz QJHLJJDOKZVVBS-LZWOXQAQSA-N 2 1 323.278 3.317 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1N1CCCC1 ZINC000420311028 433162403 /nfs/dbraw/zinc/16/24/03/433162403.db2.gz VSCNLJHLVDHVKY-QGZVFWFLSA-N 2 1 301.478 3.108 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420322342 433166966 /nfs/dbraw/zinc/16/69/66/433166966.db2.gz DTQYQMXHVFJOIS-QLFBSQMISA-N 2 1 323.506 3.062 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321128 433167467 /nfs/dbraw/zinc/16/74/67/433167467.db2.gz CIIPFWQVNOUVDN-ZIAGYGMSSA-N 2 1 308.853 3.088 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000420336084 433169088 /nfs/dbraw/zinc/16/90/88/433169088.db2.gz VKAGHKMZANLRMD-IRXDYDNUSA-N 2 1 311.429 3.163 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)[C@H](c2ccco2)C1 ZINC000425330135 433169510 /nfs/dbraw/zinc/16/95/10/433169510.db2.gz AUNDNCFNBPMNKD-HIFRSBDPSA-N 2 1 302.422 3.052 20 0 DGADMP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338307 433171930 /nfs/dbraw/zinc/17/19/30/433171930.db2.gz XSYCSCZQPKKEGG-ZIAGYGMSSA-N 2 1 310.844 3.343 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1CCCCC1 ZINC000420364206 433183530 /nfs/dbraw/zinc/18/35/30/433183530.db2.gz JZYXEQQWQAFDAD-INIZCTEOSA-N 2 1 323.868 3.166 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000420370627 433184190 /nfs/dbraw/zinc/18/41/90/433184190.db2.gz JYBWWEUFNGXUGZ-HXUWFJFHSA-N 3 1 323.569 3.456 20 0 DGADMP Clc1ccccc1O[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420375375 433186250 /nfs/dbraw/zinc/18/62/50/433186250.db2.gz PHIAHUUPHJVNTB-CABCVRRESA-N 2 1 308.853 3.183 20 0 DGADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000336725402 433186674 /nfs/dbraw/zinc/18/66/74/433186674.db2.gz YKSWSHIENVHIJN-RSPOEFSDSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000336725402 433186682 /nfs/dbraw/zinc/18/66/82/433186682.db2.gz YKSWSHIENVHIJN-RSPOEFSDSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000336725402 433186689 /nfs/dbraw/zinc/18/66/89/433186689.db2.gz YKSWSHIENVHIJN-RSPOEFSDSA-N 2 1 314.473 3.008 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000336720368 433187542 /nfs/dbraw/zinc/18/75/42/433187542.db2.gz SXRRMGDTAVYBGK-PMACEKPBSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COCc1ccccc1 ZINC000298599822 433189459 /nfs/dbraw/zinc/18/94/59/433189459.db2.gz ZCFWVGLKUUJMKF-MRXNPFEDSA-N 2 1 302.462 3.056 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC(C)C ZINC000341652931 433192640 /nfs/dbraw/zinc/19/26/40/433192640.db2.gz DDPYCHUINGYOBO-AWEZNQCLSA-N 2 1 317.433 3.338 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000336852934 433194898 /nfs/dbraw/zinc/19/48/98/433194898.db2.gz BAESZCPOGASCJP-CEXWTWQISA-N 3 1 307.526 3.009 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cn1 ZINC000354643057 433198358 /nfs/dbraw/zinc/19/83/58/433198358.db2.gz YKTLATSOCXJWLM-FQEVSTJZSA-N 2 1 308.425 3.454 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000420394373 433198347 /nfs/dbraw/zinc/19/83/47/433198347.db2.gz KIZBHMOKWCVOMM-IUODEOHRSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000420394373 433198351 /nfs/dbraw/zinc/19/83/51/433198351.db2.gz KIZBHMOKWCVOMM-IUODEOHRSA-N 2 1 313.367 3.064 20 0 DGADMP COc1cc(F)cc(C[C@H](C)[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000453598234 433222270 /nfs/dbraw/zinc/22/22/70/433222270.db2.gz OHILSPMZMQAXNW-ZDUSSCGKSA-N 2 1 317.408 3.016 20 0 DGADMP Cn1c(C[NH2+]CCCC[N@@H+](C)C2CC2)nc2ccc(Cl)cc21 ZINC000453598655 433228267 /nfs/dbraw/zinc/22/82/67/433228267.db2.gz PYEPXTMUWAEVHH-UHFFFAOYSA-N 2 1 320.868 3.191 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000447563789 433228512 /nfs/dbraw/zinc/22/85/12/433228512.db2.gz SKSKJVAFKLMEGO-RNINOARNSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563789 433228521 /nfs/dbraw/zinc/22/85/21/433228521.db2.gz SKSKJVAFKLMEGO-RNINOARNSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563789 433228531 /nfs/dbraw/zinc/22/85/31/433228531.db2.gz SKSKJVAFKLMEGO-RNINOARNSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563789 433228539 /nfs/dbraw/zinc/22/85/39/433228539.db2.gz SKSKJVAFKLMEGO-RNINOARNSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563789 433228546 /nfs/dbraw/zinc/22/85/46/433228546.db2.gz SKSKJVAFKLMEGO-RNINOARNSA-N 2 1 313.489 3.037 20 0 DGADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413976 433229703 /nfs/dbraw/zinc/22/97/03/433229703.db2.gz CYGBHFYFKMHGGQ-FFZOFVMBSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413976 433229711 /nfs/dbraw/zinc/22/97/11/433229711.db2.gz CYGBHFYFKMHGGQ-FFZOFVMBSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413976 433229720 /nfs/dbraw/zinc/22/97/20/433229720.db2.gz CYGBHFYFKMHGGQ-FFZOFVMBSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413976 433229733 /nfs/dbraw/zinc/22/97/33/433229733.db2.gz CYGBHFYFKMHGGQ-FFZOFVMBSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606099 433235358 /nfs/dbraw/zinc/23/53/58/433235358.db2.gz UKKQAOGDYNTCCU-MOPGFXCFSA-N 2 1 316.489 3.302 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606099 433235367 /nfs/dbraw/zinc/23/53/67/433235367.db2.gz UKKQAOGDYNTCCU-MOPGFXCFSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000281131443 433261392 /nfs/dbraw/zinc/26/13/92/433261392.db2.gz YJOLAHPOPUDBRE-CTWPCTMYSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@H+]1CC[C@H]2CCN(Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728318 433266771 /nfs/dbraw/zinc/26/67/71/433266771.db2.gz CRFPEZNZGAYIQX-GUYCJALGSA-N 2 1 315.848 3.414 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000374960807 433318905 /nfs/dbraw/zinc/31/89/05/433318905.db2.gz GZHNWUDQJSXKSK-AABGKKOBSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777715 433321496 /nfs/dbraw/zinc/32/14/96/433321496.db2.gz BQGQVYJDCJNHGM-JEBQAFNWSA-N 2 1 321.896 3.015 20 0 DGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777715 433321501 /nfs/dbraw/zinc/32/15/01/433321501.db2.gz BQGQVYJDCJNHGM-JEBQAFNWSA-N 2 1 321.896 3.015 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000337995474 433272936 /nfs/dbraw/zinc/27/29/36/433272936.db2.gz NFEKYLHQERBVEU-PMACEKPBSA-N 2 1 314.473 3.187 20 0 DGADMP CO[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374851740 433293653 /nfs/dbraw/zinc/29/36/53/433293653.db2.gz REWJUGLPSDIVBD-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420902347 433304065 /nfs/dbraw/zinc/30/40/65/433304065.db2.gz MWHLZEJKZALDEJ-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420902347 433304082 /nfs/dbraw/zinc/30/40/82/433304082.db2.gz MWHLZEJKZALDEJ-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP Cc1ccccc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420905375 433305332 /nfs/dbraw/zinc/30/53/32/433305332.db2.gz QOTPXCPMVRMXLH-UHFFFAOYSA-N 2 1 324.468 3.459 20 0 DGADMP Cc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420905375 433305342 /nfs/dbraw/zinc/30/53/42/433305342.db2.gz QOTPXCPMVRMXLH-UHFFFAOYSA-N 2 1 324.468 3.459 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051134 433305639 /nfs/dbraw/zinc/30/56/39/433305639.db2.gz SCQYFUPHHZBEFE-KPFFTGBYSA-N 2 1 316.489 3.353 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000291679166 433309771 /nfs/dbraw/zinc/30/97/71/433309771.db2.gz HNEPSMSALXOGSM-GFCCVEGCSA-N 2 1 314.857 3.035 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1CN1CCOCC1 ZINC000420916729 433311011 /nfs/dbraw/zinc/31/10/11/433311011.db2.gz PGJGFWLVVHIQGH-WOJBJXKFSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916729 433311019 /nfs/dbraw/zinc/31/10/19/433311019.db2.gz PGJGFWLVVHIQGH-WOJBJXKFSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916729 433311025 /nfs/dbraw/zinc/31/10/25/433311025.db2.gz PGJGFWLVVHIQGH-WOJBJXKFSA-N 2 1 314.473 3.283 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000420915250 433312508 /nfs/dbraw/zinc/31/25/08/433312508.db2.gz LCYAJXSCRJULJY-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000420915250 433312518 /nfs/dbraw/zinc/31/25/18/433312518.db2.gz LCYAJXSCRJULJY-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000420915250 433312525 /nfs/dbraw/zinc/31/25/25/433312525.db2.gz LCYAJXSCRJULJY-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420916343 433313104 /nfs/dbraw/zinc/31/31/04/433313104.db2.gz HHIQOSXVTHLFSH-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916343 433313115 /nfs/dbraw/zinc/31/31/15/433313115.db2.gz HHIQOSXVTHLFSH-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916343 433313124 /nfs/dbraw/zinc/31/31/24/433313124.db2.gz HHIQOSXVTHLFSH-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000361743484 433368977 /nfs/dbraw/zinc/36/89/77/433368977.db2.gz HJZYXJFUVWAQNK-IZBJGVDFSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000361743484 433368987 /nfs/dbraw/zinc/36/89/87/433368987.db2.gz HJZYXJFUVWAQNK-IZBJGVDFSA-N 2 1 316.489 3.038 20 0 DGADMP CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[N@H+]1C ZINC000421000723 433371664 /nfs/dbraw/zinc/37/16/64/433371664.db2.gz OWACMYYOPSGAOI-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@H]1C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421000723 433371672 /nfs/dbraw/zinc/37/16/72/433371672.db2.gz OWACMYYOPSGAOI-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@H]1C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421000723 433371682 /nfs/dbraw/zinc/37/16/82/433371682.db2.gz OWACMYYOPSGAOI-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414066598 433371906 /nfs/dbraw/zinc/37/19/06/433371906.db2.gz IGTQZXPKHDZHRR-SJORKVTESA-N 2 1 319.493 3.123 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414068456 433373110 /nfs/dbraw/zinc/37/31/10/433373110.db2.gz JTEUTFDWOXANNM-BBWFWOEESA-N 2 1 318.509 3.238 20 0 DGADMP C[C@H](CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OCc1ccccc1 ZINC000354862823 433326922 /nfs/dbraw/zinc/32/69/22/433326922.db2.gz XFQPELBNARWIRF-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H](CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)OCc1ccccc1 ZINC000354862823 433326932 /nfs/dbraw/zinc/32/69/32/433326932.db2.gz XFQPELBNARWIRF-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H](CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OCc1ccccc1 ZINC000354862823 433326943 /nfs/dbraw/zinc/32/69/43/433326943.db2.gz XFQPELBNARWIRF-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000291759781 433336968 /nfs/dbraw/zinc/33/69/68/433336968.db2.gz RIFSNENZKLKPGV-UWVGGRQHSA-N 2 1 305.285 3.359 20 0 DGADMP Fc1ccc(OCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066385 433338046 /nfs/dbraw/zinc/33/80/46/433338046.db2.gz BIQJGZSNELHILJ-IRXDYDNUSA-N 2 1 306.425 3.201 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339071051 433339178 /nfs/dbraw/zinc/33/91/78/433339178.db2.gz PPOORZFWTOJIKL-RSPOEFSDSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339071051 433339200 /nfs/dbraw/zinc/33/92/00/433339200.db2.gz PPOORZFWTOJIKL-RSPOEFSDSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339071051 433339207 /nfs/dbraw/zinc/33/92/07/433339207.db2.gz PPOORZFWTOJIKL-RSPOEFSDSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339071048 433340388 /nfs/dbraw/zinc/34/03/88/433340388.db2.gz PPOORZFWTOJIKL-BTHPGYMESA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339071048 433340408 /nfs/dbraw/zinc/34/04/08/433340408.db2.gz PPOORZFWTOJIKL-BTHPGYMESA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339071048 433340414 /nfs/dbraw/zinc/34/04/14/433340414.db2.gz PPOORZFWTOJIKL-BTHPGYMESA-N 2 1 313.489 3.038 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068716 433341005 /nfs/dbraw/zinc/34/10/05/433341005.db2.gz MKDHVWQRVUSRQW-GGPKGHCWSA-N 2 1 316.489 3.476 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339067971 433343346 /nfs/dbraw/zinc/34/33/46/433343346.db2.gz OSAQYNPEDKNYIO-XHSDSOJGSA-N 2 1 318.461 3.290 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000414080368 433384893 /nfs/dbraw/zinc/38/48/93/433384893.db2.gz SYZLYTGIWVCWIZ-HIFRSBDPSA-N 2 1 301.434 3.495 20 0 DGADMP Cc1ccccc1C[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000339136701 433387246 /nfs/dbraw/zinc/38/72/46/433387246.db2.gz YBDMMBBXSORKNZ-UHFFFAOYSA-N 2 1 321.428 3.343 20 0 DGADMP Cc1ccccc1CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425987466 433392490 /nfs/dbraw/zinc/39/24/90/433392490.db2.gz ZRRPTTSROCZHML-OAQYLSRUSA-N 2 1 324.468 3.064 20 0 DGADMP Cc1ccccc1CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425987466 433392502 /nfs/dbraw/zinc/39/25/02/433392502.db2.gz ZRRPTTSROCZHML-OAQYLSRUSA-N 2 1 324.468 3.064 20 0 DGADMP C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000421032501 433397048 /nfs/dbraw/zinc/39/70/48/433397048.db2.gz WUSGRNBKIKQSGO-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1CC1(C)C ZINC000414115961 433404997 /nfs/dbraw/zinc/40/49/97/433404997.db2.gz PZRDFKWDKHVWRX-IAGOWNOFSA-N 2 1 316.493 3.477 20 0 DGADMP CCN(CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355016861 433415855 /nfs/dbraw/zinc/41/58/55/433415855.db2.gz UFHZXZOCZNLMDR-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355016861 433415859 /nfs/dbraw/zinc/41/58/59/433415859.db2.gz UFHZXZOCZNLMDR-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355016861 433415866 /nfs/dbraw/zinc/41/58/66/433415866.db2.gz UFHZXZOCZNLMDR-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414142096 433422322 /nfs/dbraw/zinc/42/23/22/433422322.db2.gz KCQKIFNCIYUHEF-OQIJWPOYSA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414142096 433422331 /nfs/dbraw/zinc/42/23/31/433422331.db2.gz KCQKIFNCIYUHEF-OQIJWPOYSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000361879913 433435286 /nfs/dbraw/zinc/43/52/86/433435286.db2.gz JKAQHWMIRUXFCW-NQIIRXRSSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000361879913 433435289 /nfs/dbraw/zinc/43/52/89/433435289.db2.gz JKAQHWMIRUXFCW-NQIIRXRSSA-N 2 1 324.468 3.283 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000361891762 433436638 /nfs/dbraw/zinc/43/66/38/433436638.db2.gz INYIVPPUEDPEDT-QGZVFWFLSA-N 2 1 305.466 3.010 20 0 DGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887832 433437889 /nfs/dbraw/zinc/43/78/89/433437889.db2.gz GDRXPRZPCKQQQA-LEWJYISDSA-N 2 1 324.468 3.364 20 0 DGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887832 433437899 /nfs/dbraw/zinc/43/78/99/433437899.db2.gz GDRXPRZPCKQQQA-LEWJYISDSA-N 2 1 324.468 3.364 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892936 433438075 /nfs/dbraw/zinc/43/80/75/433438075.db2.gz NNRDXOYVPSVSJG-CUDHKJQZSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892936 433438081 /nfs/dbraw/zinc/43/80/81/433438081.db2.gz NNRDXOYVPSVSJG-CUDHKJQZSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414183013 433444179 /nfs/dbraw/zinc/44/41/79/433444179.db2.gz NLXBREOEJIVGHJ-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000414180397 433446184 /nfs/dbraw/zinc/44/61/84/433446184.db2.gz LZJRYEKPHOXBTM-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414211358 433462329 /nfs/dbraw/zinc/46/23/29/433462329.db2.gz VJTIZCCVTPWLFK-LNLFQRSKSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000301216952 433457169 /nfs/dbraw/zinc/45/71/69/433457169.db2.gz ZCQYEQOEYYJXEB-SFHVURJKSA-N 2 1 310.445 3.070 20 0 DGADMP Cc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000301216952 433457182 /nfs/dbraw/zinc/45/71/82/433457182.db2.gz ZCQYEQOEYYJXEB-SFHVURJKSA-N 2 1 310.445 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@H]21 ZINC000342091488 433461394 /nfs/dbraw/zinc/46/13/94/433461394.db2.gz USLNAQULJILWPQ-IAOVAPTHSA-N 2 1 315.392 3.040 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(C)c3ccccc23)CC1 ZINC000414214980 433466407 /nfs/dbraw/zinc/46/64/07/433466407.db2.gz WJXWLUMZLHTWMV-UHFFFAOYSA-N 2 1 312.457 3.349 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292142297 433477892 /nfs/dbraw/zinc/47/78/92/433477892.db2.gz MHGOJCNLJNODIT-YJBOKZPZSA-N 2 1 317.408 3.088 20 0 DGADMP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000414240310 433478088 /nfs/dbraw/zinc/47/80/88/433478088.db2.gz ZSYYKBILFVJZEQ-OXQOHEQNSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000339267873 433480426 /nfs/dbraw/zinc/48/04/26/433480426.db2.gz LVQKMGTVAFQEPE-HNNXBMFYSA-N 2 1 322.880 3.239 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375510730 433483054 /nfs/dbraw/zinc/48/30/54/433483054.db2.gz YZCIBOKWKXVWDL-MRXNPFEDSA-N 2 1 302.462 3.359 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@H]12 ZINC000351490585 433528266 /nfs/dbraw/zinc/52/82/66/433528266.db2.gz IJWZCLWJUWDBFH-NZVBXONLSA-N 2 1 315.244 3.041 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)C(C)C ZINC000414305858 433528449 /nfs/dbraw/zinc/52/84/49/433528449.db2.gz XHAZBUFSCWOYBX-BTHPGYMESA-N 2 1 318.505 3.282 20 0 DGADMP C[C@H]([NH2+]CCCC1(O)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421388565 433531440 /nfs/dbraw/zinc/53/14/40/433531440.db2.gz PZRZSEPZWJDKER-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282074549 433486040 /nfs/dbraw/zinc/48/60/40/433486040.db2.gz HFAKGLSSTOWVCR-INIZCTEOSA-N 2 1 324.415 3.168 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000342133215 433486376 /nfs/dbraw/zinc/48/63/76/433486376.db2.gz XWKWANGQYPQRPF-HNNXBMFYSA-N 2 1 320.477 3.366 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000342133215 433486388 /nfs/dbraw/zinc/48/63/88/433486388.db2.gz XWKWANGQYPQRPF-HNNXBMFYSA-N 2 1 320.477 3.366 20 0 DGADMP CCc1nocc1C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000339279749 433492658 /nfs/dbraw/zinc/49/26/58/433492658.db2.gz POJSSWSDKQUWCV-DYVFJYSZSA-N 2 1 319.474 3.471 20 0 DGADMP C[C@@H]1C[C@H](CO)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000421359644 433498632 /nfs/dbraw/zinc/49/86/32/433498632.db2.gz GLYPPRZSEQILMF-MJGOQNOKSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@@H]1C[C@H](CO)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000421359644 433498638 /nfs/dbraw/zinc/49/86/38/433498638.db2.gz GLYPPRZSEQILMF-MJGOQNOKSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@@H]1C[C@H](CO)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000421359644 433498649 /nfs/dbraw/zinc/49/86/49/433498649.db2.gz GLYPPRZSEQILMF-MJGOQNOKSA-N 2 1 318.505 3.095 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000282398794 433593475 /nfs/dbraw/zinc/59/34/75/433593475.db2.gz XUBNZRCVTJYQLQ-ICSRJNTNSA-N 2 1 316.489 3.230 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000282398794 433593494 /nfs/dbraw/zinc/59/34/94/433593494.db2.gz XUBNZRCVTJYQLQ-ICSRJNTNSA-N 2 1 316.489 3.230 20 0 DGADMP Cc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(-c2cnn(C)c2)c1 ZINC000339408690 433564415 /nfs/dbraw/zinc/56/44/15/433564415.db2.gz ITHGSNOMWCCCNT-IBGZPJMESA-N 2 1 314.477 3.201 20 0 DGADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000414358377 433569996 /nfs/dbraw/zinc/56/99/96/433569996.db2.gz BZFGCJBYINLRFQ-DLBZAZTESA-N 2 1 304.482 3.029 20 0 DGADMP CCOc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362185487 433572117 /nfs/dbraw/zinc/57/21/17/433572117.db2.gz LIQXLRRQSGKOIY-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362185487 433572133 /nfs/dbraw/zinc/57/21/33/433572133.db2.gz LIQXLRRQSGKOIY-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000362185487 433572145 /nfs/dbraw/zinc/57/21/45/433572145.db2.gz LIQXLRRQSGKOIY-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000362185487 433572156 /nfs/dbraw/zinc/57/21/56/433572156.db2.gz LIQXLRRQSGKOIY-DLBZAZTESA-N 2 1 320.477 3.269 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)s1 ZINC000339449078 433592912 /nfs/dbraw/zinc/59/29/12/433592912.db2.gz MOHJMEXFGXWYGQ-FUHWJXTLSA-N 2 1 315.486 3.488 20 0 DGADMP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000455662349 433547866 /nfs/dbraw/zinc/54/78/66/433547866.db2.gz QSJOIFPXNSQAFN-MAUKXSAKSA-N 2 1 302.462 3.468 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000376001605 433635873 /nfs/dbraw/zinc/63/58/73/433635873.db2.gz VOVOHFVQNWICHT-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527001 433606447 /nfs/dbraw/zinc/60/64/47/433606447.db2.gz NMUBFLXUTFZPNU-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527001 433606455 /nfs/dbraw/zinc/60/64/55/433606455.db2.gz NMUBFLXUTFZPNU-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527001 433606465 /nfs/dbraw/zinc/60/64/65/433606465.db2.gz NMUBFLXUTFZPNU-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356527001 433606475 /nfs/dbraw/zinc/60/64/75/433606475.db2.gz NMUBFLXUTFZPNU-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000376100249 433661979 /nfs/dbraw/zinc/66/19/79/433661979.db2.gz AEJATXAEXJLTGM-QXAKKESOSA-N 2 1 302.462 3.022 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376086923 433664522 /nfs/dbraw/zinc/66/45/22/433664522.db2.gz WIQBHEPFSVLCTP-SJORKVTESA-N 2 1 315.465 3.021 20 0 DGADMP Cc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cs1 ZINC000449018722 433673797 /nfs/dbraw/zinc/67/37/97/433673797.db2.gz KVRBJMOFPURNPS-IYBDPMFKSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cs1 ZINC000449018722 433673804 /nfs/dbraw/zinc/67/38/04/433673804.db2.gz KVRBJMOFPURNPS-IYBDPMFKSA-N 2 1 321.534 3.047 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704458 433675206 /nfs/dbraw/zinc/67/52/06/433675206.db2.gz YYSJXHJBGLAVNO-NVXWUHKLSA-N 2 1 317.477 3.175 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704458 433675215 /nfs/dbraw/zinc/67/52/15/433675215.db2.gz YYSJXHJBGLAVNO-NVXWUHKLSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704458 433675226 /nfs/dbraw/zinc/67/52/26/433675226.db2.gz YYSJXHJBGLAVNO-NVXWUHKLSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@H]21 ZINC000351704458 433675232 /nfs/dbraw/zinc/67/52/32/433675232.db2.gz YYSJXHJBGLAVNO-NVXWUHKLSA-N 2 1 317.477 3.175 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449025906 433677190 /nfs/dbraw/zinc/67/71/90/433677190.db2.gz DAWWWSPGTGWGLE-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449025906 433677198 /nfs/dbraw/zinc/67/71/98/433677198.db2.gz DAWWWSPGTGWGLE-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028677 433686721 /nfs/dbraw/zinc/68/67/21/433686721.db2.gz MJGDLEAIJZJRAR-CABCVRRESA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028677 433686730 /nfs/dbraw/zinc/68/67/30/433686730.db2.gz MJGDLEAIJZJRAR-CABCVRRESA-N 2 1 308.416 3.486 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393646 433689684 /nfs/dbraw/zinc/68/96/84/433689684.db2.gz TVEVSZLEIQBJNQ-CQSZACIVSA-N 2 1 317.408 3.254 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427099799 433649491 /nfs/dbraw/zinc/64/94/91/433649491.db2.gz IKARXCJVMDTVDC-MJGOQNOKSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427099799 433649502 /nfs/dbraw/zinc/64/95/02/433649502.db2.gz IKARXCJVMDTVDC-MJGOQNOKSA-N 2 1 302.462 3.295 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000367057613 293018490 /nfs/dbraw/zinc/01/84/90/293018490.db2.gz LGRGVFOTJJXYLU-QZTJIDSGSA-N 2 1 308.510 3.437 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000367084579 293022798 /nfs/dbraw/zinc/02/27/98/293022798.db2.gz BEXUMJVMTAZNRV-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000367084579 293022802 /nfs/dbraw/zinc/02/28/02/293022802.db2.gz BEXUMJVMTAZNRV-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000367189412 293035869 /nfs/dbraw/zinc/03/58/69/293035869.db2.gz WEFLAQHJIUFQNN-XDKFSHSGSA-N 2 1 306.400 3.427 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccnn2C)c1 ZINC000367229383 293040997 /nfs/dbraw/zinc/04/09/97/293040997.db2.gz DVHORZPLRBTQMM-MSOLQXFVSA-N 2 1 324.472 3.112 20 0 DGADMP CO[C@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232984 433695721 /nfs/dbraw/zinc/69/57/21/433695721.db2.gz UHJJJUYGAHWIIU-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232984 433695727 /nfs/dbraw/zinc/69/57/27/433695727.db2.gz UHJJJUYGAHWIIU-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232984 433695733 /nfs/dbraw/zinc/69/57/33/433695733.db2.gz UHJJJUYGAHWIIU-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232984 433695738 /nfs/dbraw/zinc/69/57/38/433695738.db2.gz UHJJJUYGAHWIIU-WMLDXEAASA-N 2 1 310.869 3.301 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC000367957902 293094782 /nfs/dbraw/zinc/09/47/82/293094782.db2.gz CRNVLFFZPWZYMD-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC000367957902 293094784 /nfs/dbraw/zinc/09/47/84/293094784.db2.gz CRNVLFFZPWZYMD-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC000367957902 293094788 /nfs/dbraw/zinc/09/47/88/293094788.db2.gz CRNVLFFZPWZYMD-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000368240242 293109530 /nfs/dbraw/zinc/10/95/30/293109530.db2.gz INTDAVDDRCBICU-GDAAHCPNSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000368240242 293109532 /nfs/dbraw/zinc/10/95/32/293109532.db2.gz INTDAVDDRCBICU-GDAAHCPNSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000368240242 293109534 /nfs/dbraw/zinc/10/95/34/293109534.db2.gz INTDAVDDRCBICU-GDAAHCPNSA-N 2 1 319.493 3.233 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000376255645 433700647 /nfs/dbraw/zinc/70/06/47/433700647.db2.gz XYTCADQUWKSACG-NTZUZEMLSA-N 2 1 306.494 3.162 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cn3ccccc3n2)C1 ZINC000370208221 293164062 /nfs/dbraw/zinc/16/40/62/293164062.db2.gz QERHTQKJLPRGJB-IBGZPJMESA-N 2 1 320.440 3.041 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370677521 293185023 /nfs/dbraw/zinc/18/50/23/293185023.db2.gz XETPYPYXXXWDGH-BQFCYCMXSA-N 2 1 300.446 3.425 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370677524 293185299 /nfs/dbraw/zinc/18/52/99/293185299.db2.gz XETPYPYXXXWDGH-RYRKJORJSA-N 2 1 300.446 3.425 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000373262904 293253699 /nfs/dbraw/zinc/25/36/99/293253699.db2.gz BNGXIYIYDLJXHP-HNNXBMFYSA-N 2 1 317.408 3.338 20 0 DGADMP C=Cn1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000373896402 293328884 /nfs/dbraw/zinc/32/88/84/293328884.db2.gz FTJQLIYRAHINTJ-UHFFFAOYSA-N 2 1 302.466 3.118 20 0 DGADMP COc1ccc(CC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000374075733 293349856 /nfs/dbraw/zinc/34/98/56/293349856.db2.gz WHLFMOFKTYGXDE-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP COCc1ccc([C@@H]2CCCN2CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000342480376 433716055 /nfs/dbraw/zinc/71/60/55/433716055.db2.gz UCLWEJFWXKQEAV-RDJZCZTQSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH+]2C)o1 ZINC000342480376 433716067 /nfs/dbraw/zinc/71/60/67/433716067.db2.gz UCLWEJFWXKQEAV-RDJZCZTQSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH+]2C)o1 ZINC000342480376 433716078 /nfs/dbraw/zinc/71/60/78/433716078.db2.gz UCLWEJFWXKQEAV-RDJZCZTQSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000342480376 433716085 /nfs/dbraw/zinc/71/60/85/433716085.db2.gz UCLWEJFWXKQEAV-RDJZCZTQSA-N 2 1 306.450 3.437 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000356830082 433718677 /nfs/dbraw/zinc/71/86/77/433718677.db2.gz CZTHHYONUNRHHJ-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859392 433735363 /nfs/dbraw/zinc/73/53/63/433735363.db2.gz BSQNIEWKLGDMMJ-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859392 433735373 /nfs/dbraw/zinc/73/53/73/433735373.db2.gz BSQNIEWKLGDMMJ-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859392 433735382 /nfs/dbraw/zinc/73/53/82/433735382.db2.gz BSQNIEWKLGDMMJ-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859392 433735393 /nfs/dbraw/zinc/73/53/93/433735393.db2.gz BSQNIEWKLGDMMJ-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)c(F)c1 ZINC000421823257 433747767 /nfs/dbraw/zinc/74/77/67/433747767.db2.gz CMUWOGOKNYPPCN-QGZVFWFLSA-N 2 1 305.397 3.326 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000376474743 433748276 /nfs/dbraw/zinc/74/82/76/433748276.db2.gz XXZOIPJOAPEXEZ-QZTJIDSGSA-N 2 1 304.503 3.241 20 0 DGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351844585 433750035 /nfs/dbraw/zinc/75/00/35/433750035.db2.gz JPUNJPMXMZXKJK-XDNAFOTISA-N 2 1 323.525 3.017 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000351857775 433759504 /nfs/dbraw/zinc/75/95/04/433759504.db2.gz YLIZIOAKZBOWPG-MAUKXSAKSA-N 2 1 323.440 3.108 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2n1 ZINC000293670672 433823647 /nfs/dbraw/zinc/82/36/47/433823647.db2.gz OVDCGHVGRPFGTM-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2n1 ZINC000293670672 433823658 /nfs/dbraw/zinc/82/36/58/433823658.db2.gz OVDCGHVGRPFGTM-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774050 433824096 /nfs/dbraw/zinc/82/40/96/433824096.db2.gz FDAHNNJQDSNEBR-QZTJIDSGSA-N 2 1 302.462 3.295 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414669154 433778003 /nfs/dbraw/zinc/77/80/03/433778003.db2.gz BJESMBUCEDFNER-FUHIMQAGSA-N 2 1 309.457 3.281 20 0 DGADMP CC(C)(C)[NH2+]CCN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000414667308 433778532 /nfs/dbraw/zinc/77/85/32/433778532.db2.gz HKANIYLEIMKLLD-UHFFFAOYSA-N 2 1 317.521 3.015 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000414664037 433780635 /nfs/dbraw/zinc/78/06/35/433780635.db2.gz SUQYYOXSDNYEHR-DZKIICNBSA-N 2 1 308.441 3.072 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414685572 433792352 /nfs/dbraw/zinc/79/23/52/433792352.db2.gz ZVBXYJQKTIBYMD-MPGHIAIKSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@H]1C[C@@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000414692721 433795370 /nfs/dbraw/zinc/79/53/70/433795370.db2.gz KXTNAQPBVMEVST-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697487 433795814 /nfs/dbraw/zinc/79/58/14/433795814.db2.gz WORQKKLUSHAUPP-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000356978111 433797277 /nfs/dbraw/zinc/79/72/77/433797277.db2.gz DIBUNYMPYOSLRH-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC[NH2+]1 ZINC000414696603 433797312 /nfs/dbraw/zinc/79/73/12/433797312.db2.gz BAPUAVPJDMYOHE-ZACQAIPSSA-N 2 1 304.503 3.489 20 0 DGADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000356977774 433798400 /nfs/dbraw/zinc/79/84/00/433798400.db2.gz YSYKCJIOZHXOCR-RYQLBKOJSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000356977774 433798402 /nfs/dbraw/zinc/79/84/02/433798402.db2.gz YSYKCJIOZHXOCR-RYQLBKOJSA-N 2 1 322.880 3.332 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414705259 433799636 /nfs/dbraw/zinc/79/96/36/433799636.db2.gz LHFLPMOLRXDBDC-BQFCYCMXSA-N 2 1 304.478 3.194 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]1 ZINC000414705880 433801291 /nfs/dbraw/zinc/80/12/91/433801291.db2.gz XPWFFMJNUVJZCC-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414705331 433801754 /nfs/dbraw/zinc/80/17/54/433801754.db2.gz LJUGYFOEAQDGAC-KRWDZBQOSA-N 3 1 309.542 3.351 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC=C(C)CC3)CC2)nc(C)[nH+]1 ZINC000283976175 433811670 /nfs/dbraw/zinc/81/16/70/433811670.db2.gz GTBQGHSNGZHZRQ-INIZCTEOSA-N 2 1 300.450 3.151 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](c3ccccc3Cl)OC[C@H]2C)CC[NH2+]1 ZINC000414748485 433815203 /nfs/dbraw/zinc/81/52/03/433815203.db2.gz WOXDZPBNBPTPRA-ATNYBXOESA-N 2 1 322.880 3.490 20 0 DGADMP [NH3+]CCC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000414757217 433816754 /nfs/dbraw/zinc/81/67/54/433816754.db2.gz SHDNFANOGVNVLK-LBPRGKRZSA-N 2 1 303.233 3.185 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000414752112 433817210 /nfs/dbraw/zinc/81/72/10/433817210.db2.gz JZIGGGDCOXSDAH-RKVPGOIHSA-N 2 1 318.436 3.251 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)CC[NH2+]1 ZINC000414756623 433817552 /nfs/dbraw/zinc/81/75/52/433817552.db2.gz RGDBVNWEKLPNCT-FSZRXZPDSA-N 2 1 322.880 3.490 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC000414759720 433819770 /nfs/dbraw/zinc/81/97/70/433819770.db2.gz WURKGOHTPFFXAC-TZMCWYRMSA-N 2 1 316.367 3.405 20 0 DGADMP Cc1sccc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000293656850 433821011 /nfs/dbraw/zinc/82/10/11/433821011.db2.gz SVQMSTKVEQNPDS-UHFFFAOYSA-N 2 1 316.474 3.222 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414764017 433821705 /nfs/dbraw/zinc/82/17/05/433821705.db2.gz CWXAVHFGASEACX-HDICACEKSA-N 2 1 302.462 3.153 20 0 DGADMP CCCOc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OC ZINC000414843760 433876655 /nfs/dbraw/zinc/87/66/55/433876655.db2.gz OKKPEJBTWICQIK-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432425757 433826820 /nfs/dbraw/zinc/82/68/20/433826820.db2.gz XCLXQTKPRXNZFZ-MJGOQNOKSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432425757 433826826 /nfs/dbraw/zinc/82/68/26/433826826.db2.gz XCLXQTKPRXNZFZ-MJGOQNOKSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415917 433827845 /nfs/dbraw/zinc/82/78/45/433827845.db2.gz PAANSUIFFIGQJW-UONOGXRCSA-N 2 1 310.404 3.198 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415917 433827852 /nfs/dbraw/zinc/82/78/52/433827852.db2.gz PAANSUIFFIGQJW-UONOGXRCSA-N 2 1 310.404 3.198 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432447169 433828001 /nfs/dbraw/zinc/82/80/01/433828001.db2.gz OIFCEVULMCSMLN-ICSRJNTNSA-N 2 1 318.505 3.488 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432447169 433828007 /nfs/dbraw/zinc/82/80/07/433828007.db2.gz OIFCEVULMCSMLN-ICSRJNTNSA-N 2 1 318.505 3.488 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778870 433828510 /nfs/dbraw/zinc/82/85/10/433828510.db2.gz JMHMKSDIJWCLIV-LETPOXDLSA-N 2 1 300.446 3.030 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432447822 433829234 /nfs/dbraw/zinc/82/92/34/433829234.db2.gz QRTOAZYEGUYQSH-YLJYHZDGSA-N 2 1 316.489 3.463 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777383 433830184 /nfs/dbraw/zinc/83/01/84/433830184.db2.gz IFQHPOSURWBDCJ-LJQANCHMSA-N 2 1 316.489 3.040 20 0 DGADMP COCCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284091154 433831719 /nfs/dbraw/zinc/83/17/19/433831719.db2.gz MIQNVGLISHSTQJ-UHFFFAOYSA-N 2 1 304.478 3.446 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414785004 433832446 /nfs/dbraw/zinc/83/24/46/433832446.db2.gz RYEXZNHAVXTVJG-KGLIPLIRSA-N 2 1 307.507 3.262 20 0 DGADMP c1ccc(CSCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414789202 433833471 /nfs/dbraw/zinc/83/34/71/433833471.db2.gz XYNPCXHCXAFRKI-ZWKOTPCHSA-N 2 1 304.503 3.241 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1SC ZINC000414786831 433833579 /nfs/dbraw/zinc/83/35/79/433833579.db2.gz UYVZRQONVZSUHN-HOTGVXAUSA-N 2 1 320.502 3.239 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414788807 433834586 /nfs/dbraw/zinc/83/45/86/433834586.db2.gz MYJXXFNDGFAQOC-AWEZNQCLSA-N 2 1 307.457 3.150 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1SC ZINC000414786830 433835486 /nfs/dbraw/zinc/83/54/86/433835486.db2.gz UYVZRQONVZSUHN-CVEARBPZSA-N 2 1 320.502 3.239 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293722828 433840098 /nfs/dbraw/zinc/84/00/98/433840098.db2.gz UEBKJZVQBCCDEC-VQIMIIECSA-N 2 1 302.462 3.216 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414799665 433843964 /nfs/dbraw/zinc/84/39/64/433843964.db2.gz KHGWDMUDMZEPPB-HOCLYGCPSA-N 2 1 301.459 3.417 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000284155813 433844475 /nfs/dbraw/zinc/84/44/75/433844475.db2.gz PNTUXYBPGDQCRA-QAPCUYQASA-N 2 1 302.462 3.480 20 0 DGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357059353 433848903 /nfs/dbraw/zinc/84/89/03/433848903.db2.gz WYKLIYZLPXUJCS-CQSZACIVSA-N 2 1 307.507 3.262 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414805934 433849411 /nfs/dbraw/zinc/84/94/11/433849411.db2.gz YYNZXLFWRYCDGU-ZANVPECISA-N 2 1 317.658 3.320 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293741965 433850041 /nfs/dbraw/zinc/85/00/41/433850041.db2.gz VVSLBVCXWIPUQI-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293741965 433850053 /nfs/dbraw/zinc/85/00/53/433850053.db2.gz VVSLBVCXWIPUQI-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293741965 433850064 /nfs/dbraw/zinc/85/00/64/433850064.db2.gz VVSLBVCXWIPUQI-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293741965 433850071 /nfs/dbraw/zinc/85/00/71/433850071.db2.gz VVSLBVCXWIPUQI-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCOCC3)C2)cc1 ZINC000377350035 433862978 /nfs/dbraw/zinc/86/29/78/433862978.db2.gz HZZSJCYQILHQID-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP CC[N@@H+](CCOCC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000357094867 433863333 /nfs/dbraw/zinc/86/33/33/433863333.db2.gz ZBEKOYDINZZNGF-LBPRGKRZSA-N 2 1 304.356 3.064 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830193 433865900 /nfs/dbraw/zinc/86/59/00/433865900.db2.gz ARJBIKVQRHZRKB-QGZVFWFLSA-N 2 1 306.498 3.252 20 0 DGADMP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414832895 433865985 /nfs/dbraw/zinc/86/59/85/433865985.db2.gz FDZNRLWPXIVNMI-YTQUADARSA-N 2 1 303.494 3.003 20 0 DGADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1OC(F)F ZINC000414834465 433869368 /nfs/dbraw/zinc/86/93/68/433869368.db2.gz BZOLDBIBJUVFPX-UHFFFAOYSA-N 2 1 314.376 3.048 20 0 DGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCC(C)C ZINC000414879297 433899378 /nfs/dbraw/zinc/89/93/78/433899378.db2.gz IKHKBHLQOHICNT-UHFFFAOYSA-N 2 1 306.450 3.091 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000284509848 433900151 /nfs/dbraw/zinc/90/01/51/433900151.db2.gz VNUMCISRVMZFMZ-HKUYNNGSSA-N 2 1 302.462 3.182 20 0 DGADMP COc1cccc2c(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc(C)nc12 ZINC000352090174 433903523 /nfs/dbraw/zinc/90/35/23/433903523.db2.gz WKXXZSSZOAUEOA-YOEHRIQHSA-N 2 1 311.429 3.082 20 0 DGADMP C[C@H](CO)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284960900 433907883 /nfs/dbraw/zinc/90/78/83/433907883.db2.gz FLTOHQOAPNQMFK-KKXNLOMOSA-N 2 1 318.505 3.428 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCC(C)C ZINC000414928286 433919264 /nfs/dbraw/zinc/91/92/64/433919264.db2.gz AOUICFXYQAOBQK-DOTOQJQBSA-N 2 1 320.477 3.350 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCO[C@H]21 ZINC000303099680 433919514 /nfs/dbraw/zinc/91/95/14/433919514.db2.gz ZQAFDACJZXFONM-GUDVDZBRSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414929819 433920326 /nfs/dbraw/zinc/92/03/26/433920326.db2.gz PBJJAYFULMWABH-WBVHZDCISA-N 2 1 317.477 3.080 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)sc2C1 ZINC000422561469 433920389 /nfs/dbraw/zinc/92/03/89/433920389.db2.gz LIUINVUEQATZRW-MQYQWHSLSA-N 2 1 307.507 3.073 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)sc2C1 ZINC000422561469 433920401 /nfs/dbraw/zinc/92/04/01/433920401.db2.gz LIUINVUEQATZRW-MQYQWHSLSA-N 2 1 307.507 3.073 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC(C)C ZINC000422561547 433921323 /nfs/dbraw/zinc/92/13/23/433921323.db2.gz LVSGSGGLDIGIRX-ZOBUZTSGSA-N 2 1 320.477 3.288 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OCC(C)C ZINC000414928289 433922538 /nfs/dbraw/zinc/92/25/38/433922538.db2.gz AOUICFXYQAOBQK-NVXWUHKLSA-N 2 1 320.477 3.350 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)CC[NH2+]1 ZINC000414941005 433923785 /nfs/dbraw/zinc/92/37/85/433923785.db2.gz CHRBCRJLFGQQTP-YUMQZZPRSA-N 2 1 323.687 3.394 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414935184 433926211 /nfs/dbraw/zinc/92/62/11/433926211.db2.gz ATYWTFCJEUULDB-YJBOKZPZSA-N 2 1 312.461 3.083 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242053 433927098 /nfs/dbraw/zinc/92/70/98/433927098.db2.gz RKLZVNDOZFFZHE-XUVXKRRUSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242053 433927106 /nfs/dbraw/zinc/92/71/06/433927106.db2.gz RKLZVNDOZFFZHE-XUVXKRRUSA-N 3 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242053 433927115 /nfs/dbraw/zinc/92/71/15/433927115.db2.gz RKLZVNDOZFFZHE-XUVXKRRUSA-N 3 1 315.505 3.019 20 0 DGADMP CN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242053 433927128 /nfs/dbraw/zinc/92/71/28/433927128.db2.gz RKLZVNDOZFFZHE-XUVXKRRUSA-N 2 1 315.505 3.019 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414944324 433928622 /nfs/dbraw/zinc/92/86/22/433928622.db2.gz GPMVMOCOXKQVJF-ZBFHGGJFSA-N 2 1 306.450 3.104 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414853381 433881259 /nfs/dbraw/zinc/88/12/59/433881259.db2.gz SFNKKMQLEYMPME-SFHVURJKSA-N 2 1 313.445 3.124 20 0 DGADMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414863111 433892056 /nfs/dbraw/zinc/89/20/56/433892056.db2.gz WTCAIIXOEUHDKC-UHFFFAOYSA-N 2 1 319.836 3.013 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)s2)o1 ZINC000414969200 433943710 /nfs/dbraw/zinc/94/37/10/433943710.db2.gz JFSLRFJSZQGYHY-CQSZACIVSA-N 2 1 305.447 3.189 20 0 DGADMP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422718170 433946972 /nfs/dbraw/zinc/94/69/72/433946972.db2.gz PGAZXEHAJPBRIM-GQWLDOHISA-N 2 1 321.468 3.168 20 0 DGADMP CN(CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000422715104 433947330 /nfs/dbraw/zinc/94/73/30/433947330.db2.gz LWYDTCRYBURSPY-ZWKOTPCHSA-N 2 1 313.420 3.386 20 0 DGADMP C[N@@H+](CCCN[C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000303549631 433948623 /nfs/dbraw/zinc/94/86/23/433948623.db2.gz DVFXPPALGADMIJ-PMACEKPBSA-N 2 1 309.457 3.243 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414976350 433948917 /nfs/dbraw/zinc/94/89/17/433948917.db2.gz PPYIMMIXTHKGAJ-ZDUSSCGKSA-N 2 1 304.331 3.322 20 0 DGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171997 433952493 /nfs/dbraw/zinc/95/24/93/433952493.db2.gz DXXBJZJLVAGHDK-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1CF)C1CC[NH+](C)CC1 ZINC000293985926 433953549 /nfs/dbraw/zinc/95/35/49/433953549.db2.gz LHYWOQAUMOGQSM-SFHVURJKSA-N 2 1 319.468 3.151 20 0 DGADMP CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000340173107 433956465 /nfs/dbraw/zinc/95/64/65/433956465.db2.gz ODZNKUZXAMGSMZ-ZCNNSNEGSA-N 2 1 315.505 3.286 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000340183749 433964340 /nfs/dbraw/zinc/96/43/40/433964340.db2.gz BPZJOQUEYQGEIT-WNRNVDISSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000340183749 433964350 /nfs/dbraw/zinc/96/43/50/433964350.db2.gz BPZJOQUEYQGEIT-WNRNVDISSA-N 2 1 322.493 3.105 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414999529 433965332 /nfs/dbraw/zinc/96/53/32/433965332.db2.gz JIDLFXFQDUEODX-WMLDXEAASA-N 2 1 319.449 3.074 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCC2CC2)C[C@H]1c1ccccc1 ZINC000340183899 433965592 /nfs/dbraw/zinc/96/55/92/433965592.db2.gz WPUJCCMFMBHYBD-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)C[C@H]1c1ccccc1 ZINC000340183899 433965595 /nfs/dbraw/zinc/96/55/95/433965595.db2.gz WPUJCCMFMBHYBD-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1c[nH+]ccc1N ZINC000422744911 433967487 /nfs/dbraw/zinc/96/74/87/433967487.db2.gz UJZWQEZVVRIBCB-NSHDSACASA-N 2 1 304.463 3.141 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000340188009 433969864 /nfs/dbraw/zinc/96/98/64/433969864.db2.gz ZNQPAXYHFZMENE-BZSNNMDCSA-N 2 1 316.445 3.141 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422747634 433970970 /nfs/dbraw/zinc/97/09/70/433970970.db2.gz ZDTHYJBTPMFZPB-HSALFYBXSA-N 3 1 315.505 3.149 20 0 DGADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422747634 433970981 /nfs/dbraw/zinc/97/09/81/433970981.db2.gz ZDTHYJBTPMFZPB-HSALFYBXSA-N 2 1 315.505 3.149 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422747634 433970992 /nfs/dbraw/zinc/97/09/92/433970992.db2.gz ZDTHYJBTPMFZPB-HSALFYBXSA-N 2 1 315.505 3.149 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000422748835 433971384 /nfs/dbraw/zinc/97/13/84/433971384.db2.gz WMWNGARBVVCUEC-BRWVUGGUSA-N 2 1 321.534 3.238 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOC1CCCCCC1 ZINC000422750683 433973503 /nfs/dbraw/zinc/97/35/03/433973503.db2.gz AHPOILGHBFFHJI-VQIMIIECSA-N 2 1 304.478 3.274 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000415044149 433974741 /nfs/dbraw/zinc/97/47/41/433974741.db2.gz WSHSALISGYMYBD-KRWDZBQOSA-N 2 1 317.477 3.335 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285513364 433977878 /nfs/dbraw/zinc/97/78/78/433977878.db2.gz NTAMFHLJBQQCBT-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285513364 433977890 /nfs/dbraw/zinc/97/78/90/433977890.db2.gz NTAMFHLJBQQCBT-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285513364 433977906 /nfs/dbraw/zinc/97/79/06/433977906.db2.gz NTAMFHLJBQQCBT-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP CC[C@@H]1C[NH+](C/C=C/C[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000340195673 433978041 /nfs/dbraw/zinc/97/80/41/433978041.db2.gz CIJXUUVGQMCWFY-DOOVEFGSSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415125130 433980057 /nfs/dbraw/zinc/98/00/57/433980057.db2.gz RVSUGRHHMMTKBL-ROUUACIJSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H]1CCC[NH2+]C1 ZINC000415125130 433980063 /nfs/dbraw/zinc/98/00/63/433980063.db2.gz RVSUGRHHMMTKBL-ROUUACIJSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H]1CCC[NH2+]C1 ZINC000415125130 433980072 /nfs/dbraw/zinc/98/00/72/433980072.db2.gz RVSUGRHHMMTKBL-ROUUACIJSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422765650 433983511 /nfs/dbraw/zinc/98/35/11/433983511.db2.gz QNKBWVFIVFGQHU-XCDZQEORSA-N 2 1 321.553 3.253 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)C[C@@H]1c1ccccc1 ZINC000340216919 433990257 /nfs/dbraw/zinc/99/02/57/433990257.db2.gz FQMNNONQZSSBKD-ZWKOTPCHSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)C[C@@H]1c1ccccc1 ZINC000340216919 433990267 /nfs/dbraw/zinc/99/02/67/433990267.db2.gz FQMNNONQZSSBKD-ZWKOTPCHSA-N 2 1 302.462 3.107 20 0 DGADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cn2c1 ZINC000422707782 433938802 /nfs/dbraw/zinc/93/88/02/433938802.db2.gz AXIPGGZOEUKUHR-RCCFBDPRSA-N 2 1 312.461 3.043 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000285425209 433940561 /nfs/dbraw/zinc/94/05/61/433940561.db2.gz WBZHMQQGSBZLST-WQUXRXDGSA-N 2 1 316.489 3.302 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000285425209 433940570 /nfs/dbraw/zinc/94/05/70/433940570.db2.gz WBZHMQQGSBZLST-WQUXRXDGSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285592027 434003036 /nfs/dbraw/zinc/00/30/36/434003036.db2.gz UPMGIJTWYUCNEY-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP Cc1ccc(C)c(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285592027 434003044 /nfs/dbraw/zinc/00/30/44/434003044.db2.gz UPMGIJTWYUCNEY-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1)C1C[NH2+]C1 ZINC000422790809 434007370 /nfs/dbraw/zinc/00/73/70/434007370.db2.gz UCLIKBMOBWBRPM-LBPRGKRZSA-N 2 1 318.367 3.455 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CCC[NH+](C)C)CC1 ZINC000340291668 434046622 /nfs/dbraw/zinc/04/66/22/434046622.db2.gz SJJRTOOWHWOANA-IBGZPJMESA-N 2 1 309.542 3.303 20 0 DGADMP [NH3+][C@@H]1C[C@H](NCCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422804304 434015612 /nfs/dbraw/zinc/01/56/12/434015612.db2.gz HHLBKMZRUFANAJ-RTWAWAEBSA-N 2 1 321.468 3.169 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422805077 434017407 /nfs/dbraw/zinc/01/74/07/434017407.db2.gz LPTREBYCQOAHLN-RCCFBDPRSA-N 2 1 318.461 3.104 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340253365 434017534 /nfs/dbraw/zinc/01/75/34/434017534.db2.gz BKVAPYGSQDTHRY-MTQWCTHYSA-N 2 1 315.505 3.284 20 0 DGADMP CN1CC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1c1ccccc1 ZINC000340253365 434017543 /nfs/dbraw/zinc/01/75/43/434017543.db2.gz BKVAPYGSQDTHRY-MTQWCTHYSA-N 2 1 315.505 3.284 20 0 DGADMP CCOCc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422804282 434018348 /nfs/dbraw/zinc/01/83/48/434018348.db2.gz HEXOQYOWQKSXPH-OXQOHEQNSA-N 2 1 312.457 3.271 20 0 DGADMP [NH3+][C@H]1C[C@@H](NCCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422804302 434018428 /nfs/dbraw/zinc/01/84/28/434018428.db2.gz HHLBKMZRUFANAJ-LEWJYISDSA-N 2 1 321.468 3.169 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CCC[NH+](C)C)CC1 ZINC000340291668 434046634 /nfs/dbraw/zinc/04/66/34/434046634.db2.gz SJJRTOOWHWOANA-IBGZPJMESA-N 2 1 309.542 3.303 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000340262405 434022937 /nfs/dbraw/zinc/02/29/37/434022937.db2.gz YNDLQQWAHUAZGP-PHXBYCTMSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262405 434022947 /nfs/dbraw/zinc/02/29/47/434022947.db2.gz YNDLQQWAHUAZGP-PHXBYCTMSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262405 434022957 /nfs/dbraw/zinc/02/29/57/434022957.db2.gz YNDLQQWAHUAZGP-PHXBYCTMSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266667 434024685 /nfs/dbraw/zinc/02/46/85/434024685.db2.gz VGOXBRFRFBAGTG-IPELMVKDSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266667 434024694 /nfs/dbraw/zinc/02/46/94/434024694.db2.gz VGOXBRFRFBAGTG-IPELMVKDSA-N 2 1 302.462 3.227 20 0 DGADMP CC[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813925 434025331 /nfs/dbraw/zinc/02/53/31/434025331.db2.gz ZCLPZXITFXHZGC-AQNXPRMDSA-N 2 1 315.505 3.073 20 0 DGADMP CC[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813925 434025338 /nfs/dbraw/zinc/02/53/38/434025338.db2.gz ZCLPZXITFXHZGC-AQNXPRMDSA-N 2 1 315.505 3.073 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266668 434025840 /nfs/dbraw/zinc/02/58/40/434025840.db2.gz VGOXBRFRFBAGTG-KFKAGJAMSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266668 434025845 /nfs/dbraw/zinc/02/58/45/434025845.db2.gz VGOXBRFRFBAGTG-KFKAGJAMSA-N 2 1 302.462 3.227 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000340264917 434027196 /nfs/dbraw/zinc/02/71/96/434027196.db2.gz RKZZTQDPLFXHAB-HAGHYFMRSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000340264917 434027203 /nfs/dbraw/zinc/02/72/03/434027203.db2.gz RKZZTQDPLFXHAB-HAGHYFMRSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000352285193 434027588 /nfs/dbraw/zinc/02/75/88/434027588.db2.gz FAXRTAUUSMZSIJ-BBWFWOEESA-N 2 1 312.461 3.172 20 0 DGADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)cc1 ZINC000422826282 434030087 /nfs/dbraw/zinc/03/00/87/434030087.db2.gz QNXSFWRZIWXRBT-DLBZAZTESA-N 2 1 302.443 3.393 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2cscn2)C1 ZINC000340281302 434033423 /nfs/dbraw/zinc/03/34/23/434033423.db2.gz OIPJOCKGMGVAMD-JKSUJKDBSA-N 2 1 307.507 3.272 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000340283559 434033720 /nfs/dbraw/zinc/03/37/20/434033720.db2.gz LQMUCTVHLLPBLY-WOJBJXKFSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000340283559 434033727 /nfs/dbraw/zinc/03/37/27/434033727.db2.gz LQMUCTVHLLPBLY-WOJBJXKFSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000340283559 434033735 /nfs/dbraw/zinc/03/37/35/434033735.db2.gz LQMUCTVHLLPBLY-WOJBJXKFSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000340283559 434033741 /nfs/dbraw/zinc/03/37/41/434033741.db2.gz LQMUCTVHLLPBLY-WOJBJXKFSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000340281478 434034101 /nfs/dbraw/zinc/03/41/01/434034101.db2.gz VUSAPMRYSRMPKK-RBUKOAKNSA-N 2 1 307.526 3.200 20 0 DGADMP CC[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422829802 434036565 /nfs/dbraw/zinc/03/65/65/434036565.db2.gz CAYMAGTVQZBUNS-UAGQMJEPSA-N 2 1 307.869 3.039 20 0 DGADMP CC[C@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831080 434037576 /nfs/dbraw/zinc/03/75/76/434037576.db2.gz WFJKYRLWTYDWKF-WDSOQIARSA-N 2 1 303.494 3.017 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422835108 434038903 /nfs/dbraw/zinc/03/89/03/434038903.db2.gz IHSZVOZUQKTTCX-BQFCYCMXSA-N 3 1 321.534 3.067 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422835108 434038913 /nfs/dbraw/zinc/03/89/13/434038913.db2.gz IHSZVOZUQKTTCX-BQFCYCMXSA-N 3 1 321.534 3.067 20 0 DGADMP CC[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841929 434044583 /nfs/dbraw/zinc/04/45/83/434044583.db2.gz XIEAYDDIBTVLFG-SZMVWBNQSA-N 2 1 321.534 3.080 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)s1 ZINC000305130352 434045622 /nfs/dbraw/zinc/04/56/22/434045622.db2.gz MRLPUSURXVGFLW-ZBFHGGJFSA-N 2 1 310.507 3.252 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377796679 434000187 /nfs/dbraw/zinc/00/01/87/434000187.db2.gz SHZURMHSSYXQBE-PHAGKYIGSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861186 434060977 /nfs/dbraw/zinc/06/09/77/434060977.db2.gz MMZLVKXYWYMKLZ-MBOZVWFJSA-N 2 1 315.505 3.149 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000414957590 293894048 /nfs/dbraw/zinc/89/40/48/293894048.db2.gz WCDBYLKYDJMOKC-GOEBONIOSA-N 2 1 306.450 3.104 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363616964 434100086 /nfs/dbraw/zinc/10/00/86/434100086.db2.gz ZQSNSCJOVBSCAM-ZWKOTPCHSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363616964 434100096 /nfs/dbraw/zinc/10/00/96/434100096.db2.gz ZQSNSCJOVBSCAM-ZWKOTPCHSA-N 2 1 310.445 3.102 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422874420 434072714 /nfs/dbraw/zinc/07/27/14/434072714.db2.gz CUPXXPMDCZGRHP-SJORKVTESA-N 3 1 303.494 3.278 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340361139 434089230 /nfs/dbraw/zinc/08/92/30/434089230.db2.gz NQGMJGPULWTMLX-HBMCJLEFSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340361139 434089242 /nfs/dbraw/zinc/08/92/42/434089242.db2.gz NQGMJGPULWTMLX-HBMCJLEFSA-N 2 1 324.468 3.015 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890741 434089249 /nfs/dbraw/zinc/08/92/49/434089249.db2.gz JCVZOKQXAWHXCL-FGTMMUONSA-N 3 1 317.521 3.382 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309936258 434100903 /nfs/dbraw/zinc/10/09/03/434100903.db2.gz YJLSGARYSOYKDU-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)cc1 ZINC000422842612 434047787 /nfs/dbraw/zinc/04/77/87/434047787.db2.gz GCRPVOMXJRTTFZ-SJPCQFCGSA-N 2 1 309.413 3.247 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340307454 434051479 /nfs/dbraw/zinc/05/14/79/434051479.db2.gz BKOCNIGPYRWDEC-RCCFBDPRSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340307454 434051506 /nfs/dbraw/zinc/05/15/06/434051506.db2.gz BKOCNIGPYRWDEC-RCCFBDPRSA-N 2 1 304.478 3.209 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000285747051 434052893 /nfs/dbraw/zinc/05/28/93/434052893.db2.gz YMTWCPXIOFEDHY-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000285747051 434052904 /nfs/dbraw/zinc/05/29/04/434052904.db2.gz YMTWCPXIOFEDHY-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422858448 434059632 /nfs/dbraw/zinc/05/96/32/434059632.db2.gz IRHPKZSIIPTLIA-VQIMIIECSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@H]1CCC[NH2+]1 ZINC000422906743 434102690 /nfs/dbraw/zinc/10/26/90/434102690.db2.gz AKSAHZPLUWRSJE-UKRRQHHQSA-N 2 1 307.507 3.463 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964809 434102929 /nfs/dbraw/zinc/10/29/29/434102929.db2.gz KGYJXEGWUOZYDU-XUVXKRRUSA-N 2 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309964809 434102940 /nfs/dbraw/zinc/10/29/40/434102940.db2.gz KGYJXEGWUOZYDU-XUVXKRRUSA-N 3 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964809 434102949 /nfs/dbraw/zinc/10/29/49/434102949.db2.gz KGYJXEGWUOZYDU-XUVXKRRUSA-N 3 1 315.505 3.148 20 0 DGADMP CC[C@H](COC)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309973105 434104019 /nfs/dbraw/zinc/10/40/19/434104019.db2.gz OVBWNASZMWOFQA-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)COCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309945887 434104687 /nfs/dbraw/zinc/10/46/87/434104687.db2.gz DHDXDQCBVZUKOK-UXHICEINSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309945887 434104700 /nfs/dbraw/zinc/10/47/00/434104700.db2.gz DHDXDQCBVZUKOK-UXHICEINSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309945887 434104704 /nfs/dbraw/zinc/10/47/04/434104704.db2.gz DHDXDQCBVZUKOK-UXHICEINSA-N 2 1 316.489 3.113 20 0 DGADMP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000422919099 434105803 /nfs/dbraw/zinc/10/58/03/434105803.db2.gz JDXGCXSHZRAYGX-ZOCIIQOWSA-N 2 1 316.420 3.061 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422914571 434107456 /nfs/dbraw/zinc/10/74/56/434107456.db2.gz UTSAQTXUDYVXLM-RTBURBONSA-N 2 1 309.457 3.336 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340394194 434107982 /nfs/dbraw/zinc/10/79/82/434107982.db2.gz NJIJIOKKTMURNW-YSHGAJCASA-N 2 1 302.462 3.084 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340394194 434107989 /nfs/dbraw/zinc/10/79/89/434107989.db2.gz NJIJIOKKTMURNW-YSHGAJCASA-N 2 1 302.462 3.084 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311767697 434115865 /nfs/dbraw/zinc/11/58/65/434115865.db2.gz WUGREJWSAWMAGG-AEGPPILISA-N 2 1 323.278 3.442 20 0 DGADMP Fc1ccc(OCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422934858 434118274 /nfs/dbraw/zinc/11/82/74/434118274.db2.gz GMVMUFYJDKUTSY-MJGOQNOKSA-N 2 1 314.404 3.287 20 0 DGADMP CC(C)CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498890813 294072277 /nfs/dbraw/zinc/07/22/77/294072277.db2.gz LORXAAKAJKRIGS-IBGZPJMESA-N 2 1 310.526 3.493 20 0 DGADMP CC(C)CCOCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498890813 294072281 /nfs/dbraw/zinc/07/22/81/294072281.db2.gz LORXAAKAJKRIGS-IBGZPJMESA-N 2 1 310.526 3.493 20 0 DGADMP Cc1sc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422928863 294073064 /nfs/dbraw/zinc/07/30/64/294073064.db2.gz NAIPZBJADOCKJZ-XJKSGUPXSA-N 2 1 315.486 3.391 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000502041905 294156602 /nfs/dbraw/zinc/15/66/02/294156602.db2.gz AHEIJADDZJOXRT-AQNXPRMDSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000502041905 294156605 /nfs/dbraw/zinc/15/66/05/294156605.db2.gz AHEIJADDZJOXRT-AQNXPRMDSA-N 2 1 316.489 3.182 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2OC)C[C@H]1C ZINC000505602844 294244653 /nfs/dbraw/zinc/24/46/53/294244653.db2.gz AICBCDAOAGBCHH-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2OC)C[C@H]1C ZINC000505602844 294244658 /nfs/dbraw/zinc/24/46/58/294244658.db2.gz AICBCDAOAGBCHH-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2OC)C[C@H]1C ZINC000505602844 294244659 /nfs/dbraw/zinc/24/46/59/294244659.db2.gz AICBCDAOAGBCHH-SJLPKXTDSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCOC1 ZINC000507485116 294300764 /nfs/dbraw/zinc/30/07/64/294300764.db2.gz KTWNJPCKQVNANH-QXAKKESOSA-N 2 1 308.510 3.436 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000290039606 294316051 /nfs/dbraw/zinc/31/60/51/294316051.db2.gz DJQSLLLEZWVASL-FDCMFXBMSA-N 2 1 304.478 3.443 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508697694 294330580 /nfs/dbraw/zinc/33/05/80/294330580.db2.gz MSVOADYUKIKLIJ-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508697694 294330581 /nfs/dbraw/zinc/33/05/81/294330581.db2.gz MSVOADYUKIKLIJ-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508697694 294330584 /nfs/dbraw/zinc/33/05/84/294330584.db2.gz MSVOADYUKIKLIJ-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709567 294330855 /nfs/dbraw/zinc/33/08/55/294330855.db2.gz HYLUOOQBPWTTCJ-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709567 294330857 /nfs/dbraw/zinc/33/08/57/294330857.db2.gz HYLUOOQBPWTTCJ-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709567 294330858 /nfs/dbraw/zinc/33/08/58/294330858.db2.gz HYLUOOQBPWTTCJ-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)(C)c1cccc(OCCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000509046427 294338782 /nfs/dbraw/zinc/33/87/82/294338782.db2.gz OXWSLLRCIUKSQH-IBGZPJMESA-N 2 1 304.478 3.424 20 0 DGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000509936461 294369174 /nfs/dbraw/zinc/36/91/74/294369174.db2.gz CBJNDCLRIXJJLJ-QZTJIDSGSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000510117492 294374639 /nfs/dbraw/zinc/37/46/39/294374639.db2.gz GCCKWHKZOGMTNO-HZPDHXFCSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000510117492 294374640 /nfs/dbraw/zinc/37/46/40/294374640.db2.gz GCCKWHKZOGMTNO-HZPDHXFCSA-N 2 1 304.478 3.423 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)c1OC ZINC000353442907 434137865 /nfs/dbraw/zinc/13/78/65/434137865.db2.gz DJTSWBSTWQAXKR-HNNXBMFYSA-N 2 1 322.493 3.263 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000286019621 434140914 /nfs/dbraw/zinc/14/09/14/434140914.db2.gz JQBJOPZBQASUSN-NEPJUHHUSA-N 2 1 321.446 3.027 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000353447510 434142557 /nfs/dbraw/zinc/14/25/57/434142557.db2.gz MMAPQQHCEUQMIN-KBPBESRZSA-N 2 1 324.490 3.450 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000353447510 434142567 /nfs/dbraw/zinc/14/25/67/434142567.db2.gz MMAPQQHCEUQMIN-KBPBESRZSA-N 2 1 324.490 3.450 20 0 DGADMP CCC[C@@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286106869 434165743 /nfs/dbraw/zinc/16/57/43/434165743.db2.gz UGSUSZIEWMDWFW-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422968692 434144160 /nfs/dbraw/zinc/14/41/60/434144160.db2.gz RWSWRZLLSOBADG-BASLNEPJSA-N 2 1 304.409 3.160 20 0 DGADMP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCCN1 ZINC000422968476 434145529 /nfs/dbraw/zinc/14/55/29/434145529.db2.gz RDKCAYRGMPMSAC-MKCYZYCBSA-N 2 1 307.526 3.150 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC000363785528 434146183 /nfs/dbraw/zinc/14/61/83/434146183.db2.gz FPUFDVOBIDBZQI-DNVCBOLYSA-N 2 1 319.468 3.114 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)cc1F ZINC000340465811 434146918 /nfs/dbraw/zinc/14/69/18/434146918.db2.gz UURFHMCOELEQGM-SCLBCKFNSA-N 2 1 317.408 3.367 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)COC4)CC[NH2+]2)cc1 ZINC000422986574 434155002 /nfs/dbraw/zinc/15/50/02/434155002.db2.gz CTKXYEBCIQKVSV-WOJBJXKFSA-N 2 1 308.425 3.300 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998417 434156360 /nfs/dbraw/zinc/15/63/60/434156360.db2.gz CQLKRFYNQQFMTF-BWPNAZKDSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998417 434156372 /nfs/dbraw/zinc/15/63/72/434156372.db2.gz CQLKRFYNQQFMTF-BWPNAZKDSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998417 434156379 /nfs/dbraw/zinc/15/63/79/434156379.db2.gz CQLKRFYNQQFMTF-BWPNAZKDSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422999140 434156818 /nfs/dbraw/zinc/15/68/18/434156818.db2.gz RYNJRFNRMUYYIQ-GUDVDZBRSA-N 2 1 309.542 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422999140 434156826 /nfs/dbraw/zinc/15/68/26/434156826.db2.gz RYNJRFNRMUYYIQ-GUDVDZBRSA-N 3 1 309.542 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422999140 434156833 /nfs/dbraw/zinc/15/68/33/434156833.db2.gz RYNJRFNRMUYYIQ-GUDVDZBRSA-N 3 1 309.542 3.255 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998424 434158470 /nfs/dbraw/zinc/15/84/70/434158470.db2.gz CQLKRFYNQQFMTF-ZULIPRJHSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998424 434158481 /nfs/dbraw/zinc/15/84/81/434158481.db2.gz CQLKRFYNQQFMTF-ZULIPRJHSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998424 434158493 /nfs/dbraw/zinc/15/84/93/434158493.db2.gz CQLKRFYNQQFMTF-ZULIPRJHSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423000044 434159596 /nfs/dbraw/zinc/15/95/96/434159596.db2.gz ULQAEORLWLAAFT-MNEFBYGVSA-N 2 1 301.478 3.231 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000346169462 434163272 /nfs/dbraw/zinc/16/32/72/434163272.db2.gz QMLWUZALWQOJHN-OAHLLOKOSA-N 2 1 301.434 3.011 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000346169462 434163285 /nfs/dbraw/zinc/16/32/85/434163285.db2.gz QMLWUZALWQOJHN-OAHLLOKOSA-N 2 1 301.434 3.011 20 0 DGADMP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024102 434174241 /nfs/dbraw/zinc/17/42/41/434174241.db2.gz IQTBHKWKMKLHNL-LBEMJPCMSA-N 2 1 306.837 3.426 20 0 DGADMP Clc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000423033838 434178528 /nfs/dbraw/zinc/17/85/28/434178528.db2.gz HFRBYOSKORWPLP-BRWVUGGUSA-N 2 1 320.864 3.285 20 0 DGADMP C[C@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000423034642 434179145 /nfs/dbraw/zinc/17/91/45/434179145.db2.gz XUDKPIQKXNHAKW-XHDPSFHLSA-N 2 1 317.260 3.240 20 0 DGADMP C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423034639 434179245 /nfs/dbraw/zinc/17/92/45/434179245.db2.gz XUDKPIQKXNHAKW-ABAIWWIYSA-N 2 1 317.260 3.240 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)[C@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340526394 434184125 /nfs/dbraw/zinc/18/41/25/434184125.db2.gz NSWQBBGARPYLQD-AOIWGVFYSA-N 2 1 304.478 3.444 20 0 DGADMP COc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000295080217 434186692 /nfs/dbraw/zinc/18/66/92/434186692.db2.gz TVEKAVMRFWXKFM-WOSRLPQWSA-N 2 1 310.869 3.209 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CC3 ZINC000423047694 434186770 /nfs/dbraw/zinc/18/67/70/434186770.db2.gz VJXSLKCMMCXVCW-ZIAGYGMSSA-N 2 1 320.440 3.492 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423047086 434188611 /nfs/dbraw/zinc/18/86/11/434188611.db2.gz USFRYRANDWEKEW-XUJVJEKNSA-N 2 1 300.368 3.367 20 0 DGADMP CCSc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccn1 ZINC000423060027 434198503 /nfs/dbraw/zinc/19/85/03/434198503.db2.gz HDZGXWSRRGPTMP-YOEHRIQHSA-N 2 1 315.486 3.242 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1Br ZINC000423071118 434204135 /nfs/dbraw/zinc/20/41/35/434204135.db2.gz OBNVMXCTSPRSSF-BXUZGUMPSA-N 2 1 311.267 3.235 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000423083861 434207012 /nfs/dbraw/zinc/20/70/12/434207012.db2.gz ZHIYXFXYNLRJHT-KZNAEPCWSA-N 3 1 307.526 3.009 20 0 DGADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423079184 434208694 /nfs/dbraw/zinc/20/86/94/434208694.db2.gz XOTWICGIQNQWMY-KZNAEPCWSA-N 2 1 307.526 3.009 20 0 DGADMP CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423079184 434208700 /nfs/dbraw/zinc/20/87/00/434208700.db2.gz XOTWICGIQNQWMY-KZNAEPCWSA-N 2 1 307.526 3.009 20 0 DGADMP COCCC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000423097107 434211773 /nfs/dbraw/zinc/21/17/73/434211773.db2.gz AIJKHPMBCHDZGZ-YXJHDRRASA-N 2 1 324.896 3.438 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000353543139 434212753 /nfs/dbraw/zinc/21/27/53/434212753.db2.gz FRJQCWZHGKZEDS-HKUYNNGSSA-N 2 1 318.509 3.296 20 0 DGADMP C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423089741 434213497 /nfs/dbraw/zinc/21/34/97/434213497.db2.gz VTUZJTJRRXCYTE-HNNXBMFYSA-N 2 1 310.445 3.061 20 0 DGADMP COCCC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)cc1 ZINC000423097104 434214910 /nfs/dbraw/zinc/21/49/10/434214910.db2.gz AIJKHPMBCHDZGZ-KYJSFNMBSA-N 2 1 324.896 3.438 20 0 DGADMP C(N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092452 434215067 /nfs/dbraw/zinc/21/50/67/434215067.db2.gz BXYHTGPZTWDCAY-UAFMIMERSA-N 2 1 319.537 3.294 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)c(C)c1OC ZINC000353578410 434244122 /nfs/dbraw/zinc/24/41/22/434244122.db2.gz RFKWRSSEXUMUKS-HUUCEWRRSA-N 2 1 322.493 3.262 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)c(C)c1OC ZINC000353578410 434244127 /nfs/dbraw/zinc/24/41/27/434244127.db2.gz RFKWRSSEXUMUKS-HUUCEWRRSA-N 2 1 322.493 3.262 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c2ccccc21 ZINC000423147807 434246311 /nfs/dbraw/zinc/24/63/11/434246311.db2.gz DLZTZFWNXTWNTR-LSDHHAIUSA-N 2 1 302.466 3.298 20 0 DGADMP CSc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423146229 434246932 /nfs/dbraw/zinc/24/69/32/434246932.db2.gz OSJSWXTUNFTXKE-KSZLIROESA-N 2 1 321.534 3.261 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C ZINC000321029104 434247681 /nfs/dbraw/zinc/24/76/81/434247681.db2.gz CNVRYFFMIBILGG-AFYVEPGGSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1C ZINC000321029104 434247691 /nfs/dbraw/zinc/24/76/91/434247691.db2.gz CNVRYFFMIBILGG-AFYVEPGGSA-N 2 1 316.489 3.302 20 0 DGADMP CSc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423146231 434248810 /nfs/dbraw/zinc/24/88/10/434248810.db2.gz OSJSWXTUNFTXKE-SQNIBIBYSA-N 2 1 321.534 3.261 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643888 434257379 /nfs/dbraw/zinc/25/73/79/434257379.db2.gz BNQXXKRUHCWPQL-RYRKJORJSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643888 434257388 /nfs/dbraw/zinc/25/73/88/434257388.db2.gz BNQXXKRUHCWPQL-RYRKJORJSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000379656531 434261631 /nfs/dbraw/zinc/26/16/31/434261631.db2.gz PLHRYUAMSVDELP-RAUXBKROSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379625183 434261646 /nfs/dbraw/zinc/26/16/46/434261646.db2.gz FNDZVRUENDFUSN-BMFAXAFESA-N 2 1 304.478 3.443 20 0 DGADMP C[N@H+]1CC[C@@H](NCC2([NH3+])CCCCC2)C[C@H]1c1ccccc1 ZINC000423181747 434266088 /nfs/dbraw/zinc/26/60/88/434266088.db2.gz PKWCTEXZUSDKGJ-MSOLQXFVSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357959571 434267105 /nfs/dbraw/zinc/26/71/05/434267105.db2.gz KRQMWTXCRVAUHM-STQMWFEESA-N 2 1 323.868 3.213 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000423179711 434268449 /nfs/dbraw/zinc/26/84/49/434268449.db2.gz JUECXWJDWMJKAG-NWDGAFQWSA-N 2 1 303.631 3.072 20 0 DGADMP CSCc1cnc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000295239670 434270698 /nfs/dbraw/zinc/27/06/98/434270698.db2.gz DRHJCNOOKYAXSR-NSHDSACASA-N 2 1 308.476 3.109 20 0 DGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381907947 434274272 /nfs/dbraw/zinc/27/42/72/434274272.db2.gz JFUZABBUHMDSIU-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381907947 434274276 /nfs/dbraw/zinc/27/42/76/434274276.db2.gz JFUZABBUHMDSIU-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381907947 434274284 /nfs/dbraw/zinc/27/42/84/434274284.db2.gz JFUZABBUHMDSIU-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](CCCCO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000295137279 434224532 /nfs/dbraw/zinc/22/45/32/434224532.db2.gz ZALVGHNIDHBREM-QGZVFWFLSA-N 2 1 306.494 3.285 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423119049 434228178 /nfs/dbraw/zinc/22/81/78/434228178.db2.gz CXVTUMULUUUYOJ-RDJZCZTQSA-N 2 1 319.493 3.374 20 0 DGADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423117992 434229767 /nfs/dbraw/zinc/22/97/67/434229767.db2.gz YAGDWDQYNXXIIM-XUWVNRHRSA-N 2 1 310.388 3.230 20 0 DGADMP C[N@H+]1CC[C@@H](NCC2([NH3+])CCCCCC2)C[C@H]1c1ccccc1 ZINC000423205980 434280676 /nfs/dbraw/zinc/28/06/76/434280676.db2.gz WOGQPRZFJHCXHJ-MOPGFXCFSA-N 2 1 315.505 3.463 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423199835 434281006 /nfs/dbraw/zinc/28/10/06/434281006.db2.gz KULFADIYMILNAW-GFCCVEGCSA-N 2 1 315.280 3.185 20 0 DGADMP FC1(F)CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000383279051 434282976 /nfs/dbraw/zinc/28/29/76/434282976.db2.gz OTQGGCXDVRBUAL-MSOLQXFVSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000383279051 434282985 /nfs/dbraw/zinc/28/29/85/434282985.db2.gz OTQGGCXDVRBUAL-MSOLQXFVSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000383279051 434282990 /nfs/dbraw/zinc/28/29/90/434282990.db2.gz OTQGGCXDVRBUAL-MSOLQXFVSA-N 2 1 320.427 3.486 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423207392 434285623 /nfs/dbraw/zinc/28/56/23/434285623.db2.gz GYOURWVJJBYQKZ-QWRGUYRKSA-N 2 1 302.340 3.077 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450600439 434287824 /nfs/dbraw/zinc/28/78/24/434287824.db2.gz NQICYBBCZHFQJP-MISYRCLQSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450600439 434287833 /nfs/dbraw/zinc/28/78/33/434287833.db2.gz NQICYBBCZHFQJP-MISYRCLQSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450600439 434287838 /nfs/dbraw/zinc/28/78/38/434287838.db2.gz NQICYBBCZHFQJP-MISYRCLQSA-N 2 1 319.537 3.198 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218753 434292010 /nfs/dbraw/zinc/29/20/10/434292010.db2.gz VZKSXBDSHGULMH-OXQOHEQNSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000384032967 434292627 /nfs/dbraw/zinc/29/26/27/434292627.db2.gz LRQVAEXOHBJOAP-XLIONFOSSA-N 2 1 324.468 3.435 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353638548 434294179 /nfs/dbraw/zinc/29/41/79/434294179.db2.gz SFTYKLFWOSIBRY-MOPGFXCFSA-N 2 1 309.457 3.478 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3c2cccc3F)C[C@H](C)O1 ZINC000358037831 434299891 /nfs/dbraw/zinc/29/98/91/434299891.db2.gz NRFCBYSSXCTWDQ-ZRGWGRIASA-N 2 1 320.452 3.292 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCCC[NH2+]1 ZINC000386165099 434308907 /nfs/dbraw/zinc/30/89/07/434308907.db2.gz VNKHSBBQEZREHS-PWSUYJOCSA-N 2 1 317.296 3.173 20 0 DGADMP CCOC(=O)C[N@@H+](CCCc1ccc(C)nc1)C1CCCC1 ZINC000353653749 434309761 /nfs/dbraw/zinc/30/97/61/434309761.db2.gz UDYYHYOBERLMEC-UHFFFAOYSA-N 2 1 304.434 3.130 20 0 DGADMP CCOC(=O)CN(CCCc1ccc(C)nc1)C1CCCC1 ZINC000353653749 434309770 /nfs/dbraw/zinc/30/97/70/434309770.db2.gz UDYYHYOBERLMEC-UHFFFAOYSA-N 2 1 304.434 3.130 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423252383 434312535 /nfs/dbraw/zinc/31/25/35/434312535.db2.gz UCWXBXBCBUWMEA-SLFFLAALSA-N 2 1 309.457 3.112 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423274810 434334036 /nfs/dbraw/zinc/33/40/36/434334036.db2.gz MNOXLRJLIYZCIN-ZANVPECISA-N 2 1 303.219 3.222 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000423253186 434312863 /nfs/dbraw/zinc/31/28/63/434312863.db2.gz VOGCVVPTVJRGBB-KKXNLOMOSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423260229 434320446 /nfs/dbraw/zinc/32/04/46/434320446.db2.gz GZIVFCUYJKUMDN-KXBFYZLASA-N 2 1 312.461 3.431 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423264618 434322999 /nfs/dbraw/zinc/32/29/99/434322999.db2.gz AJQWZDAUDVLHFW-QMTHXVAHSA-N 2 1 300.418 3.432 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423264338 434324158 /nfs/dbraw/zinc/32/41/58/434324158.db2.gz PXUYBJQXKATLJV-DNVCBOLYSA-N 2 1 320.477 3.270 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423264339 434324545 /nfs/dbraw/zinc/32/45/45/434324545.db2.gz PXUYBJQXKATLJV-HNAYVOBHSA-N 2 1 320.477 3.270 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000423274808 434334355 /nfs/dbraw/zinc/33/43/55/434334355.db2.gz MNOXLRJLIYZCIN-RNCFNFMXSA-N 2 1 303.219 3.222 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353675240 434327363 /nfs/dbraw/zinc/32/73/63/434327363.db2.gz SZPFHEUVGCKHSB-VAMGGRTRSA-N 2 1 324.472 3.143 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000358093474 434328775 /nfs/dbraw/zinc/32/87/75/434328775.db2.gz ZXOVIWUAHYPCBY-SNUQEOBHSA-N 2 1 301.409 3.490 20 0 DGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC000366085973 434329062 /nfs/dbraw/zinc/32/90/62/434329062.db2.gz KOYRLUWSLASTCA-IAGOWNOFSA-N 2 1 306.498 3.155 20 0 DGADMP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000388358286 434330064 /nfs/dbraw/zinc/33/00/64/434330064.db2.gz RQABUFDPHXZRRV-DNVCBOLYSA-N 2 1 302.462 3.054 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423268350 434330261 /nfs/dbraw/zinc/33/02/61/434330261.db2.gz GCKKBXZLNLHITM-AUUYWEPGSA-N 2 1 316.420 3.369 20 0 DGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423317845 434361323 /nfs/dbraw/zinc/36/13/23/434361323.db2.gz KROSXTIHUNDYFB-IINYFYTJSA-N 2 1 302.340 3.016 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673766 434366638 /nfs/dbraw/zinc/36/66/38/434366638.db2.gz SUAGFZHREJEUMP-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673766 434366647 /nfs/dbraw/zinc/36/66/47/434366647.db2.gz SUAGFZHREJEUMP-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000390742227 434367357 /nfs/dbraw/zinc/36/73/57/434367357.db2.gz CUHQJNCIOHQMCG-DFQSSKMNSA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423329534 434367335 /nfs/dbraw/zinc/36/73/35/434367335.db2.gz SXUVFHQCOJORAT-CABCVRRESA-N 2 1 309.251 3.153 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)sc1Br ZINC000423335063 434369662 /nfs/dbraw/zinc/36/96/62/434369662.db2.gz TWPKPPDUCUAOND-SECBINFHSA-N 2 1 303.269 3.351 20 0 DGADMP CCOc1ccc([C@H](CC)[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000423340600 434370544 /nfs/dbraw/zinc/37/05/44/434370544.db2.gz XNPUTUCKPZFTOF-HNNXBMFYSA-N 2 1 306.450 3.406 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907015 434376598 /nfs/dbraw/zinc/37/65/98/434376598.db2.gz LPDCLUHOGIBNSH-PMACEKPBSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907015 434376609 /nfs/dbraw/zinc/37/66/09/434376609.db2.gz LPDCLUHOGIBNSH-PMACEKPBSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390885559 434377661 /nfs/dbraw/zinc/37/76/61/434377661.db2.gz BOVAOOAEFFOQIG-QZTJIDSGSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390885559 434377667 /nfs/dbraw/zinc/37/76/67/434377667.db2.gz BOVAOOAEFFOQIG-QZTJIDSGSA-N 2 1 318.505 3.284 20 0 DGADMP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CCCCC2)n1 ZINC000287325290 434336524 /nfs/dbraw/zinc/33/65/24/434336524.db2.gz FQMVRNOYEGUSOV-YOEHRIQHSA-N 2 1 313.449 3.080 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000388919996 434342421 /nfs/dbraw/zinc/34/24/21/434342421.db2.gz PBCPLRSAWPJUBT-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP Cc1ccccc1[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162675 434347966 /nfs/dbraw/zinc/34/79/66/434347966.db2.gz IBEFTCWCOLRPQD-PKOBYXMFSA-N 2 1 302.462 3.243 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000287387505 434348644 /nfs/dbraw/zinc/34/86/44/434348644.db2.gz INRYGJJNHCOXME-CTWPCTMYSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000287387505 434348656 /nfs/dbraw/zinc/34/86/56/434348656.db2.gz INRYGJJNHCOXME-CTWPCTMYSA-N 2 1 316.489 3.180 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423299386 434349062 /nfs/dbraw/zinc/34/90/62/434349062.db2.gz PZYZXZOTBFCJCP-CXAGYDPISA-N 2 1 318.465 3.139 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423299144 434351278 /nfs/dbraw/zinc/35/12/78/434351278.db2.gz PJJCHFNJBFBIBX-CZUORRHYSA-N 2 1 305.422 3.338 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000423303399 434351952 /nfs/dbraw/zinc/35/19/52/434351952.db2.gz XAZCCOCPAYKGRE-BBRMVZONSA-N 2 1 308.466 3.050 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423313315 434353778 /nfs/dbraw/zinc/35/37/78/434353778.db2.gz FLERROQRVNIAMU-LSDHHAIUSA-N 2 1 309.251 3.153 20 0 DGADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423307211 434354950 /nfs/dbraw/zinc/35/49/50/434354950.db2.gz GDCFGFQKBRJLGF-NSHDSACASA-N 2 1 317.246 3.108 20 0 DGADMP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423322498 434357364 /nfs/dbraw/zinc/35/73/64/434357364.db2.gz HGMJOKUYZMMOEO-HOTGVXAUSA-N 2 1 317.477 3.091 20 0 DGADMP Cc1cnccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295913371 434443479 /nfs/dbraw/zinc/44/34/79/434443479.db2.gz ZQJDUOHGGOYHJN-XLIONFOSSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423480463 434447337 /nfs/dbraw/zinc/44/73/37/434447337.db2.gz NHVALSMYZIZQFM-YJBOKZPZSA-N 3 1 312.461 3.364 20 0 DGADMP Cc1[nH+]ccn1CCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000366354131 434392239 /nfs/dbraw/zinc/39/22/39/434392239.db2.gz LTAPHQWRLPMLLA-UHFFFAOYSA-N 2 1 318.509 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000366354131 434392251 /nfs/dbraw/zinc/39/22/51/434392251.db2.gz LTAPHQWRLPMLLA-UHFFFAOYSA-N 2 1 318.509 3.170 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000450762007 434396155 /nfs/dbraw/zinc/39/61/55/434396155.db2.gz SAPJANCXUKMMAM-XHSDSOJGSA-N 2 1 318.452 3.148 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cs1 ZINC000423390124 434397836 /nfs/dbraw/zinc/39/78/36/434397836.db2.gz VUADAUVOCKIDQG-FXPVBKGRSA-N 2 1 303.269 3.302 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438090194 434399623 /nfs/dbraw/zinc/39/96/23/434399623.db2.gz UDGSDPCFPWYPHG-QZTJIDSGSA-N 2 1 316.489 3.435 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000394440606 434401875 /nfs/dbraw/zinc/40/18/75/434401875.db2.gz MQAILDMIWZJFJZ-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000394440606 434401884 /nfs/dbraw/zinc/40/18/84/434401884.db2.gz MQAILDMIWZJFJZ-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)C1 ZINC000358659534 434402123 /nfs/dbraw/zinc/40/21/23/434402123.db2.gz FMGUCVYYEYDKOK-RWQQGDIJSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Br)c1 ZINC000423431525 434420018 /nfs/dbraw/zinc/42/00/18/434420018.db2.gz LQUNTYSGSSJDJD-QXSJWSMHSA-N 2 1 323.278 3.344 20 0 DGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2F)s1 ZINC000423427167 434420216 /nfs/dbraw/zinc/42/02/16/434420216.db2.gz IIDQFCBSKPEGDJ-JCKZUZKGSA-N 2 1 302.418 3.423 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967684 434425967 /nfs/dbraw/zinc/42/59/67/434425967.db2.gz JZUAVCUPUFSZGL-QZTJIDSGSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967684 434425975 /nfs/dbraw/zinc/42/59/75/434425975.db2.gz JZUAVCUPUFSZGL-QZTJIDSGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000397453893 434435510 /nfs/dbraw/zinc/43/55/10/434435510.db2.gz NBOLSRWTEMUIJM-WWGRRREGSA-N 2 1 301.409 3.179 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000398181656 434458404 /nfs/dbraw/zinc/45/84/04/434458404.db2.gz XDUSUHZUHQFCFY-QXAKKESOSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H](N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496490 434461631 /nfs/dbraw/zinc/46/16/31/434461631.db2.gz FAGLIUZFGAPUCR-DBVUQKKJSA-N 2 1 315.505 3.004 20 0 DGADMP Cn1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CCCCC2)n1 ZINC000359998772 434470971 /nfs/dbraw/zinc/47/09/71/434470971.db2.gz XMKUXLQGUMGIOX-ZWKOTPCHSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C2CCCCC2)n1 ZINC000359998772 434470977 /nfs/dbraw/zinc/47/09/77/434470977.db2.gz XMKUXLQGUMGIOX-ZWKOTPCHSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CCCCC2)n1 ZINC000359998772 434470988 /nfs/dbraw/zinc/47/09/88/434470988.db2.gz XMKUXLQGUMGIOX-ZWKOTPCHSA-N 2 1 316.493 3.184 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000296009830 434475105 /nfs/dbraw/zinc/47/51/05/434475105.db2.gz RAMSBSCBHNKWKF-XVLXNVKGSA-N 2 1 316.489 3.477 20 0 DGADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423534159 434480940 /nfs/dbraw/zinc/48/09/40/434480940.db2.gz VJDPQWKENAPENB-YHUYYLMFSA-N 2 1 312.379 3.453 20 0 DGADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399809211 434481341 /nfs/dbraw/zinc/48/13/41/434481341.db2.gz GIUQEDIEOUOVBY-UYAOXDASSA-N 2 1 323.484 3.433 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423536188 434482469 /nfs/dbraw/zinc/48/24/69/434482469.db2.gz YZQNFQJXCKORQB-ORYQWCPZSA-N 2 1 324.468 3.362 20 0 DGADMP C[C@H]([NH+](C)CC1(C[N@H+](C)[C@@H](C)C2(C)CC2)COC1)C1(C)CC1 ZINC000360027754 434482523 /nfs/dbraw/zinc/48/25/23/434482523.db2.gz OHTWATWPXLOWBC-HOTGVXAUSA-N 2 1 308.510 3.244 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1(N2CCCCC2)CCCCC1 ZINC000401074731 434492454 /nfs/dbraw/zinc/49/24/54/434492454.db2.gz LKURAAPTMOVRGN-GBESFXJTSA-N 2 1 319.537 3.153 20 0 DGADMP COc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2)cc1 ZINC000401719319 434500444 /nfs/dbraw/zinc/50/04/44/434500444.db2.gz ZKNKNDYDRLJCGH-HXUWFJFHSA-N 2 1 321.424 3.350 20 0 DGADMP Fc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423487309 434451743 /nfs/dbraw/zinc/45/17/43/434451743.db2.gz CKBJYPPKNCWGMD-QZTJIDSGSA-N 2 1 306.425 3.025 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423490733 434454581 /nfs/dbraw/zinc/45/45/81/434454581.db2.gz YEEQQDKUCJLBKO-IHPCNDPISA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423490733 434454591 /nfs/dbraw/zinc/45/45/91/434454591.db2.gz YEEQQDKUCJLBKO-IHPCNDPISA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423496022 434455149 /nfs/dbraw/zinc/45/51/49/434455149.db2.gz VVOSXEAGFHCMEV-QAPCUYQASA-N 2 1 302.418 3.098 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398177197 434456644 /nfs/dbraw/zinc/45/66/44/434456644.db2.gz JDDAKHGOJQYJHT-MTFMMBMASA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398177197 434456652 /nfs/dbraw/zinc/45/66/52/434456652.db2.gz JDDAKHGOJQYJHT-MTFMMBMASA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000398108208 434457788 /nfs/dbraw/zinc/45/77/88/434457788.db2.gz CCNRBPZXIUJLBC-KBAYOESNSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000398108208 434457799 /nfs/dbraw/zinc/45/77/99/434457799.db2.gz CCNRBPZXIUJLBC-KBAYOESNSA-N 2 1 302.462 3.054 20 0 DGADMP CCN(CC)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438830284 434532266 /nfs/dbraw/zinc/53/22/66/434532266.db2.gz UVQFTUQHFIWMKQ-UHFFFAOYSA-N 2 1 317.521 3.361 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000353933926 434535141 /nfs/dbraw/zinc/53/51/41/434535141.db2.gz WZNQYXPPLJCCRT-TVRKMHQQSA-N 2 1 324.509 3.208 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)nn2C)CC1)CC1CC1 ZINC000417852913 434535426 /nfs/dbraw/zinc/53/54/26/434535426.db2.gz ZTDIFSCDABZCSM-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000417880967 434541865 /nfs/dbraw/zinc/54/18/65/434541865.db2.gz QSJBBUNXILBUTM-HUUCEWRRSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000417880967 434541869 /nfs/dbraw/zinc/54/18/69/434541869.db2.gz QSJBBUNXILBUTM-HUUCEWRRSA-N 2 1 308.491 3.117 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@H]1SC ZINC000459376949 434573267 /nfs/dbraw/zinc/57/32/67/434573267.db2.gz OOROHCZZDRSGSV-MWDXBVQZSA-N 2 1 314.539 3.140 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC12CC2 ZINC000527894382 295146444 /nfs/dbraw/zinc/14/64/44/295146444.db2.gz GZSJLCULISRJHP-UHOSZYNNSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC12CC2 ZINC000527894382 295146445 /nfs/dbraw/zinc/14/64/45/295146445.db2.gz GZSJLCULISRJHP-UHOSZYNNSA-N 2 1 314.473 3.056 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@H](C)C1 ZINC000527996254 295162250 /nfs/dbraw/zinc/16/22/50/295162250.db2.gz PBIQBUPTZBLMSC-FZKQIMNGSA-N 2 1 317.452 3.478 20 0 DGADMP Clc1ccc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000459410982 434579620 /nfs/dbraw/zinc/57/96/20/434579620.db2.gz PPSNRVSUDGECFY-UHFFFAOYSA-N 2 1 322.880 3.117 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399396 295208347 /nfs/dbraw/zinc/20/83/47/295208347.db2.gz WSCHFQLNDMXNOV-JLSDUUJJSA-N 2 1 308.441 3.318 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399396 295208348 /nfs/dbraw/zinc/20/83/48/295208348.db2.gz WSCHFQLNDMXNOV-JLSDUUJJSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399396 295208350 /nfs/dbraw/zinc/20/83/50/295208350.db2.gz WSCHFQLNDMXNOV-JLSDUUJJSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC000528399396 295208353 /nfs/dbraw/zinc/20/83/53/295208353.db2.gz WSCHFQLNDMXNOV-JLSDUUJJSA-N 2 1 308.441 3.318 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407510 295209655 /nfs/dbraw/zinc/20/96/55/295209655.db2.gz QCQPJEALXQQLNJ-JSGCOSHPSA-N 2 1 313.367 3.017 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CCC(OC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423170474 295215398 /nfs/dbraw/zinc/21/53/98/295215398.db2.gz MDRXEECLZCXIDY-JDGDGYACSA-N 2 1 318.461 3.036 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423497367 295239430 /nfs/dbraw/zinc/23/94/30/295239430.db2.gz GVMHXFXISDAQJX-CKEIUWERSA-N 2 1 320.477 3.303 20 0 DGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431940 434583461 /nfs/dbraw/zinc/58/34/61/434583461.db2.gz GBGJLDVLRCPQAM-CRAIPNDOSA-N 2 1 313.445 3.373 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCCS2 ZINC000425946634 295274653 /nfs/dbraw/zinc/27/46/53/295274653.db2.gz WWHWYTIMDKAIBY-CZUORRHYSA-N 2 1 308.491 3.410 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789468 295315777 /nfs/dbraw/zinc/31/57/77/295315777.db2.gz WTDCIAGNJGWLLA-RTBURBONSA-N 3 1 301.478 3.032 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459535400 434596250 /nfs/dbraw/zinc/59/62/50/434596250.db2.gz GLPUJIJPXIYKKS-RTBURBONSA-N 2 1 316.489 3.354 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000354088231 434612991 /nfs/dbraw/zinc/61/29/91/434612991.db2.gz MQLVCIAHZHLSCB-KRWDZBQOSA-N 2 1 316.445 3.366 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000354096258 434618519 /nfs/dbraw/zinc/61/85/19/434618519.db2.gz IEMDDIUJJDGRHB-KRWDZBQOSA-N 2 1 322.518 3.341 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354100949 434618549 /nfs/dbraw/zinc/61/85/49/434618549.db2.gz PWKVWCYQSJEULA-VAMGGRTRSA-N 2 1 316.489 3.223 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncn1C(C)C ZINC000424148993 434636094 /nfs/dbraw/zinc/63/60/94/434636094.db2.gz VPKRACUGVVPXHJ-WMZOPIPTSA-N 2 1 306.498 3.454 20 0 DGADMP CC(C)C[C@@H](C)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000410339115 434642706 /nfs/dbraw/zinc/64/27/06/434642706.db2.gz RFKPCIIBNZLAON-QRVBRYPASA-N 2 1 309.542 3.159 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@H](C)[C@H]3C)sc2C1 ZINC000418132700 434598550 /nfs/dbraw/zinc/59/85/50/434598550.db2.gz ZLGJUTZWDDFWKE-HZSPNIEDSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@H](C)[C@H]3C)sc2C1 ZINC000418132700 434598556 /nfs/dbraw/zinc/59/85/56/434598556.db2.gz ZLGJUTZWDDFWKE-HZSPNIEDSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)[C@H](C)[C@H]3C)sc2C1 ZINC000418132700 434598561 /nfs/dbraw/zinc/59/85/61/434598561.db2.gz ZLGJUTZWDDFWKE-HZSPNIEDSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)[C@H](C)[C@H]3C)sc2C1 ZINC000418132700 434598563 /nfs/dbraw/zinc/59/85/63/434598563.db2.gz ZLGJUTZWDDFWKE-HZSPNIEDSA-N 2 1 307.507 3.386 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459547533 434603295 /nfs/dbraw/zinc/60/32/95/434603295.db2.gz SOYBSICGBRDPKV-GOSISDBHSA-N 2 1 313.445 3.075 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000459652038 434647005 /nfs/dbraw/zinc/64/70/05/434647005.db2.gz PVWVVXFSCQHQPY-AWEZNQCLSA-N 2 1 318.490 3.101 20 0 DGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000360619666 434648087 /nfs/dbraw/zinc/64/80/87/434648087.db2.gz LTZPEXWEQYVZSR-AEFFLSMTSA-N 2 1 321.534 3.301 20 0 DGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000360619666 434648091 /nfs/dbraw/zinc/64/80/91/434648091.db2.gz LTZPEXWEQYVZSR-AEFFLSMTSA-N 2 1 321.534 3.301 20 0 DGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000360619671 434649722 /nfs/dbraw/zinc/64/97/22/434649722.db2.gz LTZPEXWEQYVZSR-WMZOPIPTSA-N 2 1 321.534 3.301 20 0 DGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000360619671 434649732 /nfs/dbraw/zinc/64/97/32/434649732.db2.gz LTZPEXWEQYVZSR-WMZOPIPTSA-N 2 1 321.534 3.301 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000354168279 434654085 /nfs/dbraw/zinc/65/40/85/434654085.db2.gz WXWVCNWMVUBXGD-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000354168279 434654091 /nfs/dbraw/zinc/65/40/91/434654091.db2.gz WXWVCNWMVUBXGD-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc2c1 ZINC000354168279 434654098 /nfs/dbraw/zinc/65/40/98/434654098.db2.gz WXWVCNWMVUBXGD-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2c1 ZINC000354168279 434654120 /nfs/dbraw/zinc/65/41/20/434654120.db2.gz WXWVCNWMVUBXGD-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP CC(C)[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354209541 434671206 /nfs/dbraw/zinc/67/12/06/434671206.db2.gz ARVQZSUIUZHVQI-NXEWRWPSSA-N 2 1 316.489 3.179 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219870 434673218 /nfs/dbraw/zinc/67/32/18/434673218.db2.gz FRWOVNWYKKYRAA-WMZOPIPTSA-N 2 1 317.477 3.047 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226478 434676063 /nfs/dbraw/zinc/67/60/63/434676063.db2.gz WIGWXWLYDYRADW-ZFWWWQNUSA-N 2 1 303.406 3.239 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424281825 434676169 /nfs/dbraw/zinc/67/61/69/434676169.db2.gz KASFRILRRZKRNR-QGZVFWFLSA-N 2 1 313.470 3.278 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224720 434677076 /nfs/dbraw/zinc/67/70/76/434677076.db2.gz OWDVPRGCKQPMTA-WBVHZDCISA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225015 434678740 /nfs/dbraw/zinc/67/87/40/434678740.db2.gz PSJXEQISEBZULB-CJNGLKHVSA-N 2 1 323.868 3.083 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224352 434678859 /nfs/dbraw/zinc/67/88/59/434678859.db2.gz NQEIBRJFOBPJGE-DOTOQJQBSA-N 2 1 317.477 3.047 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293951 434680867 /nfs/dbraw/zinc/68/08/67/434680867.db2.gz DDVYTGOOWVHJMC-ZRSRNVLSSA-N 2 1 306.494 3.044 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293951 434680876 /nfs/dbraw/zinc/68/08/76/434680876.db2.gz DDVYTGOOWVHJMC-ZRSRNVLSSA-N 2 1 306.494 3.044 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349345228 434682776 /nfs/dbraw/zinc/68/27/76/434682776.db2.gz IZOWQXPJKMSCLQ-HNNXBMFYSA-N 2 1 320.462 3.022 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349345228 434682783 /nfs/dbraw/zinc/68/27/83/434682783.db2.gz IZOWQXPJKMSCLQ-HNNXBMFYSA-N 2 1 320.462 3.022 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000459732750 434684546 /nfs/dbraw/zinc/68/45/46/434684546.db2.gz MUXRGXHHBHPZLQ-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440820302 434745799 /nfs/dbraw/zinc/74/57/99/434745799.db2.gz FKDKRIAYWIWXQN-LBPRGKRZSA-N 2 1 318.387 3.030 20 0 DGADMP CO[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411223468 434747738 /nfs/dbraw/zinc/74/77/38/434747738.db2.gz CXMLIBYDDHFKMJ-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)C(C)C)nc1 ZINC000349387087 434702122 /nfs/dbraw/zinc/70/21/22/434702122.db2.gz URJMUURTLYYBEC-UHFFFAOYSA-N 2 1 318.509 3.234 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)C(C)C)nc1 ZINC000349387087 434702128 /nfs/dbraw/zinc/70/21/28/434702128.db2.gz URJMUURTLYYBEC-UHFFFAOYSA-N 2 1 318.509 3.234 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2ccnc2)cc1 ZINC000349387358 434703032 /nfs/dbraw/zinc/70/30/32/434703032.db2.gz VAMLLJPPCGCTMA-UHFFFAOYSA-N 2 1 312.461 3.180 20 0 DGADMP CCCOc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000371437653 434705212 /nfs/dbraw/zinc/70/52/12/434705212.db2.gz ICVQJZXLOPWBSB-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000371437653 434705219 /nfs/dbraw/zinc/70/52/19/434705219.db2.gz ICVQJZXLOPWBSB-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000371437653 434705226 /nfs/dbraw/zinc/70/52/26/434705226.db2.gz ICVQJZXLOPWBSB-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N(C)C(C)C)nc1 ZINC000349404610 434706235 /nfs/dbraw/zinc/70/62/35/434706235.db2.gz FRAKUTHRRHVMEU-UHFFFAOYSA-N 2 1 306.498 3.090 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)C(C)C)nc1 ZINC000349404610 434706240 /nfs/dbraw/zinc/70/62/40/434706240.db2.gz FRAKUTHRRHVMEU-UHFFFAOYSA-N 2 1 306.498 3.090 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000459770953 434709040 /nfs/dbraw/zinc/70/90/40/434709040.db2.gz HZGMNEMSGMYZGA-BXUZGUMPSA-N 2 1 312.379 3.413 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3c(s1)C[C@H](C)CC3)CC[NH2+]CC2 ZINC000424374624 434713129 /nfs/dbraw/zinc/71/31/29/434713129.db2.gz IKBSLSSQTMNCPV-KGLIPLIRSA-N 2 1 319.518 3.232 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424379280 434713759 /nfs/dbraw/zinc/71/37/59/434713759.db2.gz OITAXDHUNONFPS-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424375405 434713838 /nfs/dbraw/zinc/71/38/38/434713838.db2.gz JRYSMEXUPGDZMO-QGZVFWFLSA-N 2 1 324.472 3.145 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000424374540 434714010 /nfs/dbraw/zinc/71/40/10/434714010.db2.gz LJXAZRDTBVYJHL-GMTAPVOTSA-N 2 1 315.280 3.357 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(C(C)(C)C)s1)CC[NH2+]CC2 ZINC000424373377 434715317 /nfs/dbraw/zinc/71/53/17/434715317.db2.gz GRNVMLASCIATAR-ZDUSSCGKSA-N 2 1 307.507 3.405 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3c1OC(C)(C)C3)CC[NH2+]CC2 ZINC000424385758 434715667 /nfs/dbraw/zinc/71/56/67/434715667.db2.gz WQDDIUAEFGADCH-OAHLLOKOSA-N 2 1 314.473 3.364 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000459796002 434725393 /nfs/dbraw/zinc/72/53/93/434725393.db2.gz VUSKWUQONRNJRL-KRWDZBQOSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933280 434736771 /nfs/dbraw/zinc/73/67/71/434736771.db2.gz LXVXAYWPYMBYCN-HNJRGHQBSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933280 434736779 /nfs/dbraw/zinc/73/67/79/434736779.db2.gz LXVXAYWPYMBYCN-HNJRGHQBSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000360933649 434737432 /nfs/dbraw/zinc/73/74/32/434737432.db2.gz SUWSZBOAVIVPFQ-XHDPSFHLSA-N 2 1 316.367 3.144 20 0 DGADMP CC1(C)COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411187463 434742310 /nfs/dbraw/zinc/74/23/10/434742310.db2.gz SATCCIJKHLPHTA-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000419235037 434755753 /nfs/dbraw/zinc/75/57/53/434755753.db2.gz YMCMCQNBNQWJLK-GOSISDBHSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411312443 434760996 /nfs/dbraw/zinc/76/09/96/434760996.db2.gz ZJRXJEJMWRZOHL-QYZOEREBSA-N 2 1 320.452 3.114 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192590847 297139892 /nfs/dbraw/zinc/13/98/92/297139892.db2.gz FTKGZQVPTSTCCH-AESZEHBQSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192590847 297139893 /nfs/dbraw/zinc/13/98/93/297139893.db2.gz FTKGZQVPTSTCCH-AESZEHBQSA-N 2 1 308.491 3.146 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411404785 434775686 /nfs/dbraw/zinc/77/56/86/434775686.db2.gz ZJMZRUHXMPSFMS-IBGZPJMESA-N 2 1 316.489 3.408 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000411406625 434776834 /nfs/dbraw/zinc/77/68/34/434776834.db2.gz JSUATBYIQSJZFB-UXHICEINSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000361077001 434789603 /nfs/dbraw/zinc/78/96/03/434789603.db2.gz XWRWKAROCFNTNT-GNVJSZRZSA-N 2 1 315.505 3.140 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000361077001 434789618 /nfs/dbraw/zinc/78/96/18/434789618.db2.gz XWRWKAROCFNTNT-GNVJSZRZSA-N 2 1 315.505 3.140 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccncc1 ZINC000453113364 434805146 /nfs/dbraw/zinc/80/51/46/434805146.db2.gz DKDKDOHVFLSCCF-SFHVURJKSA-N 2 1 310.445 3.495 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453120354 434806922 /nfs/dbraw/zinc/80/69/22/434806922.db2.gz WREFOMYJSXSQRR-INMHGKMJSA-N 2 1 322.518 3.369 20 0 DGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453128310 434810351 /nfs/dbraw/zinc/81/03/51/434810351.db2.gz SHVLKIFAJAIQEZ-ZGXWSNOMSA-N 2 1 316.489 3.036 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453187814 434826273 /nfs/dbraw/zinc/82/62/73/434826273.db2.gz AODWSBBDOIFCPA-HNULKUCHSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453209677 434829825 /nfs/dbraw/zinc/82/98/25/434829825.db2.gz ZEROHJRKGFUUMT-IPMKNSEASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccn(C)n1 ZINC000411816997 434832976 /nfs/dbraw/zinc/83/29/76/434832976.db2.gz IQCPPJJYOYBFKY-MRXNPFEDSA-N 2 1 312.461 3.257 20 0 DGADMP C[C@@H](CCO)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453236426 434836915 /nfs/dbraw/zinc/83/69/15/434836915.db2.gz OBCJWPCZHSLCBC-QHGAOEGBSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)COc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000573167929 434879665 /nfs/dbraw/zinc/87/96/65/434879665.db2.gz FIWCJVOXUUXSKY-UHFFFAOYSA-N 2 1 304.478 3.495 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](c2nccn2C)C2CC2)CC1 ZINC000637904257 434905324 /nfs/dbraw/zinc/90/53/24/434905324.db2.gz CRAUYHPCQRLOFN-GOSISDBHSA-N 2 1 318.509 3.315 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](c2nccn2C)C2CC2)CC1 ZINC000637904268 434906540 /nfs/dbraw/zinc/90/65/40/434906540.db2.gz CRAUYHPCQRLOFN-SFHVURJKSA-N 2 1 318.509 3.315 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000573648883 434914265 /nfs/dbraw/zinc/91/42/65/434914265.db2.gz XRROMBKPCFRXDM-ZIFCJYIRSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000521063154 434869398 /nfs/dbraw/zinc/86/93/98/434869398.db2.gz KVWDKBWVKYXHJR-TZMCWYRMSA-N 2 1 316.367 3.286 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000521063153 434869456 /nfs/dbraw/zinc/86/94/56/434869456.db2.gz KVWDKBWVKYXHJR-OCCSQVGLSA-N 2 1 316.367 3.286 20 0 DGADMP CO[C@](C)(C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000638031311 434937642 /nfs/dbraw/zinc/93/76/42/434937642.db2.gz OLUWMOCGJIJHQO-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@](C)(C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000638031311 434937646 /nfs/dbraw/zinc/93/76/46/434937646.db2.gz OLUWMOCGJIJHQO-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638063796 434945290 /nfs/dbraw/zinc/94/52/90/434945290.db2.gz PXJZJQOOKSFRIE-PBHICJAKSA-N 2 1 313.445 3.047 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463127365 434946115 /nfs/dbraw/zinc/94/61/15/434946115.db2.gz NAEGROZHUWZPPO-NZSAHSFTSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463127365 434946119 /nfs/dbraw/zinc/94/61/19/434946119.db2.gz NAEGROZHUWZPPO-NZSAHSFTSA-N 2 1 318.505 3.426 20 0 DGADMP CN(CC[N@@H+](C)C[C@H]1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000554883103 434951694 /nfs/dbraw/zinc/95/16/94/434951694.db2.gz VGDRJKYKKRPDFW-KRWDZBQOSA-N 2 1 309.542 3.161 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000638180465 434973110 /nfs/dbraw/zinc/97/31/10/434973110.db2.gz VOTSVPKXERWOGM-SJLPKXTDSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000638180465 434973111 /nfs/dbraw/zinc/97/31/11/434973111.db2.gz VOTSVPKXERWOGM-SJLPKXTDSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000638180465 434973113 /nfs/dbraw/zinc/97/31/13/434973113.db2.gz VOTSVPKXERWOGM-SJLPKXTDSA-N 2 1 302.462 3.260 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000638376444 435016865 /nfs/dbraw/zinc/01/68/65/435016865.db2.gz KQMLKQGOECYAKL-CEXWTWQISA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000638448608 435033633 /nfs/dbraw/zinc/03/36/33/435033633.db2.gz VKSPBWFIRAEMTN-KFWWJZLASA-N 2 1 310.532 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000638448608 435033635 /nfs/dbraw/zinc/03/36/35/435033635.db2.gz VKSPBWFIRAEMTN-KFWWJZLASA-N 2 1 310.532 3.444 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638389316 435020350 /nfs/dbraw/zinc/02/03/50/435020350.db2.gz FEWKHEHULXMGIK-PKOBYXMFSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638389316 435020353 /nfs/dbraw/zinc/02/03/53/435020353.db2.gz FEWKHEHULXMGIK-PKOBYXMFSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638400510 435022487 /nfs/dbraw/zinc/02/24/87/435022487.db2.gz QUEPIFVPFFSMSY-POAQFYNOSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638400510 435022490 /nfs/dbraw/zinc/02/24/90/435022490.db2.gz QUEPIFVPFFSMSY-POAQFYNOSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000556776960 435023675 /nfs/dbraw/zinc/02/36/75/435023675.db2.gz HEYAZWUXYWQMSW-CALCHBBNSA-N 2 1 324.472 3.244 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000556776960 435023679 /nfs/dbraw/zinc/02/36/79/435023679.db2.gz HEYAZWUXYWQMSW-CALCHBBNSA-N 2 1 324.472 3.244 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](OC(C)C)c2ccccc2)C1 ZINC000638409679 435025813 /nfs/dbraw/zinc/02/58/13/435025813.db2.gz OIPBAVUITGHQNL-MJGOQNOKSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H](CO)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638415282 435026025 /nfs/dbraw/zinc/02/60/25/435026025.db2.gz GOPAUOIRQSHUTF-PXNSSMCTSA-N 2 1 318.505 3.143 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)cc1F ZINC000638420258 435027569 /nfs/dbraw/zinc/02/75/69/435027569.db2.gz MJTWECZUXMAWHJ-SMDDNHRTSA-N 2 1 305.422 3.303 20 0 DGADMP CC(C)CCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556062614 434994345 /nfs/dbraw/zinc/99/43/45/434994345.db2.gz VMPNOBFGGXQGLS-RBUKOAKNSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556062614 434994350 /nfs/dbraw/zinc/99/43/50/434994350.db2.gz VMPNOBFGGXQGLS-RBUKOAKNSA-N 2 1 304.478 3.474 20 0 DGADMP c1cn(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638284636 434995810 /nfs/dbraw/zinc/99/58/10/434995810.db2.gz BTWCIFUGMVZVKT-ICSRJNTNSA-N 2 1 324.472 3.231 20 0 DGADMP c1cn(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638284636 434995814 /nfs/dbraw/zinc/99/58/14/434995814.db2.gz BTWCIFUGMVZVKT-ICSRJNTNSA-N 2 1 324.472 3.231 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638293324 434997903 /nfs/dbraw/zinc/99/79/03/434997903.db2.gz JQEMDQOGDVKDQD-QRQLOZEOSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638293324 434997908 /nfs/dbraw/zinc/99/79/08/434997908.db2.gz JQEMDQOGDVKDQD-QRQLOZEOSA-N 2 1 300.446 3.123 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)C2CCCCC2)CC1 ZINC000638360916 435012835 /nfs/dbraw/zinc/01/28/35/435012835.db2.gz WVCCQQVXGNDSFB-SFHVURJKSA-N 2 1 309.542 3.210 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000530902522 435059356 /nfs/dbraw/zinc/05/93/56/435059356.db2.gz RMRNFJUPRDMOOG-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000530902522 435059359 /nfs/dbraw/zinc/05/93/59/435059359.db2.gz RMRNFJUPRDMOOG-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000530902522 435059362 /nfs/dbraw/zinc/05/93/62/435059362.db2.gz RMRNFJUPRDMOOG-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP OC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000638609276 435059899 /nfs/dbraw/zinc/05/98/99/435059899.db2.gz JIVLEOVLJQPTJT-MJGOQNOKSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000638609276 435059904 /nfs/dbraw/zinc/05/99/04/435059904.db2.gz JIVLEOVLJQPTJT-MJGOQNOKSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@@H](CCO)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638660832 435065646 /nfs/dbraw/zinc/06/56/46/435065646.db2.gz WKJIQMBCBZFSID-PXNSSMCTSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H](CCO)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638660830 435066198 /nfs/dbraw/zinc/06/61/98/435066198.db2.gz WKJIQMBCBZFSID-FXAWDEMLSA-N 2 1 318.505 3.285 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOCCc2ccccc2)C[C@H]1C ZINC000531139954 435073868 /nfs/dbraw/zinc/07/38/68/435073868.db2.gz KONKDASYTNXFBS-QUCCMNQESA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCCc2ccccc2)C[C@H]1C ZINC000531139954 435073872 /nfs/dbraw/zinc/07/38/72/435073872.db2.gz KONKDASYTNXFBS-QUCCMNQESA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCCc2ccccc2)C[C@H]1C ZINC000531139954 435073877 /nfs/dbraw/zinc/07/38/77/435073877.db2.gz KONKDASYTNXFBS-QUCCMNQESA-N 2 1 318.505 3.440 20 0 DGADMP CCOC1CC(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000638722904 435078394 /nfs/dbraw/zinc/07/83/94/435078394.db2.gz AIKUDIVKECGCTO-IVMQYODDSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccns1 ZINC000638735291 435080268 /nfs/dbraw/zinc/08/02/68/435080268.db2.gz CUZVRMOVUGXRTE-GJZGRUSLSA-N 2 1 315.486 3.389 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765090 435085875 /nfs/dbraw/zinc/08/58/75/435085875.db2.gz JLZOOBDSHZEREE-SZVBFZGTSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765090 435085879 /nfs/dbraw/zinc/08/58/79/435085879.db2.gz JLZOOBDSHZEREE-SZVBFZGTSA-N 2 1 302.462 3.105 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000556920971 435038647 /nfs/dbraw/zinc/03/86/47/435038647.db2.gz RMDIEYMXSDMBCA-WMZOPIPTSA-N 2 1 304.478 3.480 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000556920971 435038649 /nfs/dbraw/zinc/03/86/49/435038649.db2.gz RMDIEYMXSDMBCA-WMZOPIPTSA-N 2 1 304.478 3.480 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000556923340 435038796 /nfs/dbraw/zinc/03/87/96/435038796.db2.gz LFVXJYDRHHBJBW-ICSRJNTNSA-N 2 1 316.489 3.480 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000556923340 435038801 /nfs/dbraw/zinc/03/88/01/435038801.db2.gz LFVXJYDRHHBJBW-ICSRJNTNSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638588566 435055900 /nfs/dbraw/zinc/05/59/00/435055900.db2.gz IUMFDMLUGNEWTM-IHPCNDPISA-N 2 1 314.473 3.105 20 0 DGADMP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638588566 435055903 /nfs/dbraw/zinc/05/59/03/435055903.db2.gz IUMFDMLUGNEWTM-IHPCNDPISA-N 2 1 314.473 3.105 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000532188174 435146636 /nfs/dbraw/zinc/14/66/36/435146636.db2.gz BSVQRWGLVSUXQB-VQIMIIECSA-N 2 1 302.462 3.187 20 0 DGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000474472425 435148544 /nfs/dbraw/zinc/14/85/44/435148544.db2.gz OGVVFIGBMSRHBX-QUCCMNQESA-N 2 1 316.489 3.446 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474473122 435148943 /nfs/dbraw/zinc/14/89/43/435148943.db2.gz DZPYWRGEFMWIGE-HUUCEWRRSA-N 2 1 312.885 3.390 20 0 DGADMP Cc1ccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000638865230 435107904 /nfs/dbraw/zinc/10/79/04/435107904.db2.gz YDYZSONBRVUMNH-UHFFFAOYSA-N 2 1 316.489 3.162 20 0 DGADMP CCCCO[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762096 435108001 /nfs/dbraw/zinc/10/80/01/435108001.db2.gz ZDLJATASPHPJGL-IAGOWNOFSA-N 2 1 307.482 3.268 20 0 DGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762096 435108005 /nfs/dbraw/zinc/10/80/05/435108005.db2.gz ZDLJATASPHPJGL-IAGOWNOFSA-N 2 1 307.482 3.268 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000531685231 435110123 /nfs/dbraw/zinc/11/01/23/435110123.db2.gz ZZOPPETVRQVXQN-ICSRJNTNSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914445 435117385 /nfs/dbraw/zinc/11/73/85/435117385.db2.gz AIZXNEWWKPUXKB-YUKKFIBKSA-N 2 1 324.472 3.087 20 0 DGADMP CC(C)CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000558968821 435118465 /nfs/dbraw/zinc/11/84/65/435118465.db2.gz MFOGWLZZRNJPTK-LJQANCHMSA-N 2 1 309.542 3.064 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000531995028 435133797 /nfs/dbraw/zinc/13/37/97/435133797.db2.gz RQONQQDQURUNKZ-JLSDUUJJSA-N 2 1 323.912 3.263 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531995028 435133803 /nfs/dbraw/zinc/13/38/03/435133803.db2.gz RQONQQDQURUNKZ-JLSDUUJJSA-N 2 1 323.912 3.263 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531995028 435133810 /nfs/dbraw/zinc/13/38/10/435133810.db2.gz RQONQQDQURUNKZ-JLSDUUJJSA-N 2 1 323.912 3.263 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000559893577 435140743 /nfs/dbraw/zinc/14/07/43/435140743.db2.gz HBUJIKJANYNWOY-IXDOHACOSA-N 2 1 319.493 3.499 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639064854 435142922 /nfs/dbraw/zinc/14/29/22/435142922.db2.gz DKJOADHIXMBBFT-FUHWJXTLSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639064854 435142926 /nfs/dbraw/zinc/14/29/26/435142926.db2.gz DKJOADHIXMBBFT-FUHWJXTLSA-N 2 1 302.462 3.105 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000579282710 435143308 /nfs/dbraw/zinc/14/33/08/435143308.db2.gz WHKROYAZXMCAGL-YJBOKZPZSA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000579282710 435143312 /nfs/dbraw/zinc/14/33/12/435143312.db2.gz WHKROYAZXMCAGL-YJBOKZPZSA-N 2 1 304.478 3.263 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075258 435145417 /nfs/dbraw/zinc/14/54/17/435145417.db2.gz GTGRSIIKXAXUCJ-FFGOWVMKSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075258 435145422 /nfs/dbraw/zinc/14/54/22/435145422.db2.gz GTGRSIIKXAXUCJ-FFGOWVMKSA-N 2 1 314.473 3.248 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000532193790 435145516 /nfs/dbraw/zinc/14/55/16/435145516.db2.gz AMCALJDKFJBCKM-IUODEOHRSA-N 2 1 316.367 3.058 20 0 DGADMP OCCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639074849 435145704 /nfs/dbraw/zinc/14/57/04/435145704.db2.gz CTHFCLIPQZLAFT-HKUYNNGSSA-N 2 1 314.473 3.107 20 0 DGADMP OCCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639074849 435145706 /nfs/dbraw/zinc/14/57/06/435145706.db2.gz CTHFCLIPQZLAFT-HKUYNNGSSA-N 2 1 314.473 3.107 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493889830 435191869 /nfs/dbraw/zinc/19/18/69/435191869.db2.gz YTPNHNHPBKGBBP-MJGOQNOKSA-N 2 1 316.489 3.482 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639192492 435193376 /nfs/dbraw/zinc/19/33/76/435193376.db2.gz BPUAUVIOCMPOPT-FXRXJOCMSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639192492 435193378 /nfs/dbraw/zinc/19/33/78/435193378.db2.gz BPUAUVIOCMPOPT-FXRXJOCMSA-N 2 1 302.462 3.368 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205398 435197527 /nfs/dbraw/zinc/19/75/27/435197527.db2.gz YYMWUTYIWOEMEA-INIZCTEOSA-N 2 1 312.379 3.319 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639208817 435199369 /nfs/dbraw/zinc/19/93/69/435199369.db2.gz DSFFKUHRKVANQM-MISYRCLQSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639208817 435199371 /nfs/dbraw/zinc/19/93/71/435199371.db2.gz DSFFKUHRKVANQM-MISYRCLQSA-N 2 1 314.473 3.369 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000639224424 435204943 /nfs/dbraw/zinc/20/49/43/435204943.db2.gz JQEMDQOGDVKDQD-QXAKKESOSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000639224424 435204946 /nfs/dbraw/zinc/20/49/46/435204946.db2.gz JQEMDQOGDVKDQD-QXAKKESOSA-N 2 1 300.446 3.123 20 0 DGADMP FC(F)COCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639093861 435152616 /nfs/dbraw/zinc/15/26/16/435152616.db2.gz BTDGVBHXXRMCFN-WBVHZDCISA-N 2 1 324.415 3.226 20 0 DGADMP FC(F)COCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639093861 435152620 /nfs/dbraw/zinc/15/26/20/435152620.db2.gz BTDGVBHXXRMCFN-WBVHZDCISA-N 2 1 324.415 3.226 20 0 DGADMP CO[C@@](C)(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000639114478 435160438 /nfs/dbraw/zinc/16/04/38/435160438.db2.gz IPGFBTYGJTZJSS-IBGZPJMESA-N 2 1 317.477 3.214 20 0 DGADMP CC[C@H](C)[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114705 435160649 /nfs/dbraw/zinc/16/06/49/435160649.db2.gz MLHSRVNTZTUPTM-YJBOKZPZSA-N 2 1 319.493 3.460 20 0 DGADMP OCCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120649 435162389 /nfs/dbraw/zinc/16/23/89/435162389.db2.gz XWRGDHXVHQNLTE-HKUYNNGSSA-N 2 1 302.462 3.107 20 0 DGADMP OCCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120649 435162391 /nfs/dbraw/zinc/16/23/91/435162391.db2.gz XWRGDHXVHQNLTE-HKUYNNGSSA-N 2 1 302.462 3.107 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000560354310 435162893 /nfs/dbraw/zinc/16/28/93/435162893.db2.gz IVXWZPLOSGDOGY-CRAIPNDOSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CCOC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000474875044 435164801 /nfs/dbraw/zinc/16/48/01/435164801.db2.gz DANIQLYYBXKBCV-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000532479860 435169181 /nfs/dbraw/zinc/16/91/81/435169181.db2.gz UTMYDSBKBSZUJE-UWJYYQICSA-N 2 1 324.468 3.461 20 0 DGADMP CCc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000532520347 435173464 /nfs/dbraw/zinc/17/34/64/435173464.db2.gz CWNCXEWXPNGYIR-AWEZNQCLSA-N 2 1 317.433 3.028 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000639287887 435226374 /nfs/dbraw/zinc/22/63/74/435226374.db2.gz OOKPOZDBHPQNPJ-QSOKESPWSA-N 2 1 300.446 3.122 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000639287887 435226381 /nfs/dbraw/zinc/22/63/81/435226381.db2.gz OOKPOZDBHPQNPJ-QSOKESPWSA-N 2 1 300.446 3.122 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639235993 435208990 /nfs/dbraw/zinc/20/89/90/435208990.db2.gz WIKDDLNHLGMNSO-UHOSZYNNSA-N 2 1 314.473 3.369 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639235993 435208993 /nfs/dbraw/zinc/20/89/93/435208993.db2.gz WIKDDLNHLGMNSO-UHOSZYNNSA-N 2 1 314.473 3.369 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639238361 435209280 /nfs/dbraw/zinc/20/92/80/435209280.db2.gz KIQKGKHXQLZFPY-QGZVKYPTSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639238361 435209282 /nfs/dbraw/zinc/20/92/82/435209282.db2.gz KIQKGKHXQLZFPY-QGZVKYPTSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639240353 435210610 /nfs/dbraw/zinc/21/06/10/435210610.db2.gz PMWOKRKUNAYRMI-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639240353 435210613 /nfs/dbraw/zinc/21/06/13/435210613.db2.gz PMWOKRKUNAYRMI-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)C(C)(C)C)CC1)CC(C)C ZINC000561779822 435233162 /nfs/dbraw/zinc/23/31/62/435233162.db2.gz WEAZNZOFXODOIX-SFHVURJKSA-N 2 1 312.542 3.473 20 0 DGADMP C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247374723 298152405 /nfs/dbraw/zinc/15/24/05/298152405.db2.gz FNYRIKIXYROFKE-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)CC1 ZINC000561976271 435243948 /nfs/dbraw/zinc/24/39/48/435243948.db2.gz OCYQTVSEOCNBKI-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP COCC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000639360377 435265910 /nfs/dbraw/zinc/26/59/10/435265910.db2.gz WBQXEKHEWYTONG-MJGOQNOKSA-N 2 1 316.489 3.161 20 0 DGADMP Clc1ccccc1SCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000584053957 435270662 /nfs/dbraw/zinc/27/06/62/435270662.db2.gz XEARFRVPSDQFFW-KBPBESRZSA-N 2 1 310.894 3.364 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000584061692 435271538 /nfs/dbraw/zinc/27/15/38/435271538.db2.gz RZRMMVWSKZFWQT-UHFFFAOYSA-N 2 1 312.461 3.085 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000584061692 435271543 /nfs/dbraw/zinc/27/15/43/435271543.db2.gz RZRMMVWSKZFWQT-UHFFFAOYSA-N 2 1 312.461 3.085 20 0 DGADMP Clc1cnc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000648376414 435279868 /nfs/dbraw/zinc/27/98/68/435279868.db2.gz PVBBJYPOFYRCPN-ZDUSSCGKSA-N 2 1 319.836 3.399 20 0 DGADMP Clc1cnc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000648376414 435279872 /nfs/dbraw/zinc/27/98/72/435279872.db2.gz PVBBJYPOFYRCPN-ZDUSSCGKSA-N 2 1 319.836 3.399 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000584219659 435286399 /nfs/dbraw/zinc/28/63/99/435286399.db2.gz SOIMVNDCBIUMDF-HUUCEWRRSA-N 2 1 301.459 3.417 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2cc(N)ccc2O1 ZINC000584345382 435289657 /nfs/dbraw/zinc/28/96/57/435289657.db2.gz SQMKFZWBTCZEBJ-XHSDSOJGSA-N 2 1 303.450 3.121 20 0 DGADMP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1c[nH+]ccc1N ZINC000567159491 435292006 /nfs/dbraw/zinc/29/20/06/435292006.db2.gz MQEOYYRPPZLUTC-GTPINHCMSA-N 3 1 316.493 3.188 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000648427451 435296569 /nfs/dbraw/zinc/29/65/69/435296569.db2.gz IASFZICWRKFOOI-ZIAGYGMSSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000648427451 435296575 /nfs/dbraw/zinc/29/65/75/435296575.db2.gz IASFZICWRKFOOI-ZIAGYGMSSA-N 2 1 305.809 3.198 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000648444611 435303407 /nfs/dbraw/zinc/30/34/07/435303407.db2.gz IZKWELWVCCKVGT-XUVXKRRUSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccns1 ZINC000639359206 435261979 /nfs/dbraw/zinc/26/19/79/435261979.db2.gz JDRINXIAOZBQNK-HOCLYGCPSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccns1 ZINC000639359206 435261985 /nfs/dbraw/zinc/26/19/85/435261985.db2.gz JDRINXIAOZBQNK-HOCLYGCPSA-N 2 1 301.459 3.001 20 0 DGADMP COc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1OC ZINC000535082296 435319215 /nfs/dbraw/zinc/31/92/15/435319215.db2.gz WKAXDZDQGBROME-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CCCCC2)cc1 ZINC000479288811 435325046 /nfs/dbraw/zinc/32/50/46/435325046.db2.gz VKWJJETVQDFQHI-VQTJNVASSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CCCCC2)cc1 ZINC000479288811 435325051 /nfs/dbraw/zinc/32/50/51/435325051.db2.gz VKWJJETVQDFQHI-VQTJNVASSA-N 2 1 316.489 3.273 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567871516 435364688 /nfs/dbraw/zinc/36/46/88/435364688.db2.gz MCNPQFKSRPNBHJ-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567871516 435364691 /nfs/dbraw/zinc/36/46/91/435364691.db2.gz MCNPQFKSRPNBHJ-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000535314669 435326430 /nfs/dbraw/zinc/32/64/30/435326430.db2.gz QTWLBDFIUPJKHU-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@@H]1CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000535314669 435326436 /nfs/dbraw/zinc/32/64/36/435326436.db2.gz QTWLBDFIUPJKHU-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP c1ccc(Oc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)cc1 ZINC000643459886 435329828 /nfs/dbraw/zinc/32/98/28/435329828.db2.gz XQYWMPDOPYIFRN-SJPCQFCGSA-N 2 1 309.413 3.247 20 0 DGADMP CC[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457563 435329941 /nfs/dbraw/zinc/32/99/41/435329941.db2.gz MIRFCIURLKIXKB-AQNXPRMDSA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000511731510 435330356 /nfs/dbraw/zinc/33/03/56/435330356.db2.gz YWYPDKIPVLMKDS-AEFFLSMTSA-N 2 1 304.478 3.423 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000511731510 435330358 /nfs/dbraw/zinc/33/03/58/435330358.db2.gz YWYPDKIPVLMKDS-AEFFLSMTSA-N 2 1 304.478 3.423 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000567582330 435330594 /nfs/dbraw/zinc/33/05/94/435330594.db2.gz BINWXVCPBATYDT-SXLOBPIMSA-N 2 1 316.489 3.005 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000567582330 435330601 /nfs/dbraw/zinc/33/06/01/435330601.db2.gz BINWXVCPBATYDT-SXLOBPIMSA-N 2 1 316.489 3.005 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000643457511 435331130 /nfs/dbraw/zinc/33/11/30/435331130.db2.gz HKYXVCPMKUNVJP-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP CCC1(O)CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643474161 435331970 /nfs/dbraw/zinc/33/19/70/435331970.db2.gz KRAZIGHWMDUBFV-YBXZHIRMSA-N 2 1 302.462 3.153 20 0 DGADMP Cc1nc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)[nH]c1C ZINC000639545745 435338506 /nfs/dbraw/zinc/33/85/06/435338506.db2.gz ADAGHFOOIDPQJJ-OAHLLOKOSA-N 2 1 316.424 3.044 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1F ZINC000643506929 435339473 /nfs/dbraw/zinc/33/94/73/435339473.db2.gz MUZCLIUBMDDUAC-RDJZCZTQSA-N 2 1 306.425 3.202 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000643522477 435342347 /nfs/dbraw/zinc/34/23/47/435342347.db2.gz NUPONQXVTZJQDO-PWSUYJOCSA-N 2 1 302.340 3.220 20 0 DGADMP CC(C)C1CCC(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000512031147 435342495 /nfs/dbraw/zinc/34/24/95/435342495.db2.gz NIHHNFZYVPJDSC-CTWPCTMYSA-N 2 1 310.526 3.275 20 0 DGADMP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@@H](C)S1 ZINC000535724322 435342946 /nfs/dbraw/zinc/34/29/46/435342946.db2.gz JDOPNQGCPFHAAW-FPCVCCKLSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000643529082 435343748 /nfs/dbraw/zinc/34/37/48/435343748.db2.gz UOEFCMCAEPSCND-KGLIPLIRSA-N 2 1 302.393 3.403 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(N)ccc2O1 ZINC000643532782 435344322 /nfs/dbraw/zinc/34/43/22/435344322.db2.gz HVPUYAIRRLVDOA-INMHGKMJSA-N 2 1 315.461 3.087 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(N)ccc2O1 ZINC000643532782 435344330 /nfs/dbraw/zinc/34/43/30/435344330.db2.gz HVPUYAIRRLVDOA-INMHGKMJSA-N 2 1 315.461 3.087 20 0 DGADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](C)[NH3+])s2)cc1 ZINC000643528899 435344503 /nfs/dbraw/zinc/34/45/03/435344503.db2.gz QRXIVLLZSHXCMU-QWRGUYRKSA-N 2 1 305.447 3.125 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000643527378 435345205 /nfs/dbraw/zinc/34/52/05/435345205.db2.gz LWQCEHJLXXDWIT-RVBZMBCESA-N 2 1 315.280 3.169 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000643526690 435345234 /nfs/dbraw/zinc/34/52/34/435345234.db2.gz DSEBMQAPWAVMRY-XPTSAGLGSA-N 2 1 322.250 3.245 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000567703121 435345245 /nfs/dbraw/zinc/34/52/45/435345245.db2.gz BLDLLEQWMXMCFF-INIZCTEOSA-N 2 1 301.478 3.315 20 0 DGADMP Cc1ccc(C)c([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000479699761 435348581 /nfs/dbraw/zinc/34/85/81/435348581.db2.gz LIAWYVXCQKIDCV-XLIONFOSSA-N 2 1 316.489 3.455 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548031 435349244 /nfs/dbraw/zinc/34/92/44/435349244.db2.gz MBGVFUIDMVTBDA-DOTOQJQBSA-N 2 1 300.446 3.473 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546593 435349330 /nfs/dbraw/zinc/34/93/30/435349330.db2.gz RNEIHLVPALYBBR-GDBMZVCRSA-N 2 1 304.409 3.304 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548036 435349885 /nfs/dbraw/zinc/34/98/85/435349885.db2.gz MBGVFUIDMVTBDA-WBVHZDCISA-N 2 1 300.446 3.473 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546973 435350258 /nfs/dbraw/zinc/35/02/58/435350258.db2.gz XQWMZGAHVHBMTG-UONOGXRCSA-N 2 1 304.434 3.029 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546595 435350305 /nfs/dbraw/zinc/35/03/05/435350305.db2.gz RNEIHLVPALYBBR-HOCLYGCPSA-N 2 1 304.409 3.304 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000643546656 435350569 /nfs/dbraw/zinc/35/05/69/435350569.db2.gz SNJMSEYSPWHNRU-ZIAGYGMSSA-N 2 1 304.434 3.029 20 0 DGADMP COc1ccc(Oc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479951671 435358394 /nfs/dbraw/zinc/35/83/94/435358394.db2.gz CVHQZHQGTQLZIE-CALCHBBNSA-N 2 1 324.424 3.139 20 0 DGADMP COc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479951671 435358398 /nfs/dbraw/zinc/35/83/98/435358398.db2.gz CVHQZHQGTQLZIE-CALCHBBNSA-N 2 1 324.424 3.139 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512649099 435363106 /nfs/dbraw/zinc/36/31/06/435363106.db2.gz QIBUEWSLWFHQRB-GUDVDZBRSA-N 2 1 316.489 3.302 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000639758402 435410197 /nfs/dbraw/zinc/41/01/97/435410197.db2.gz RZBGLADSJJGCMK-UHFFFAOYSA-N 2 1 323.278 3.367 20 0 DGADMP COc1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc21 ZINC000639611803 435367653 /nfs/dbraw/zinc/36/76/53/435367653.db2.gz DSMKUAPJXSWEME-INIZCTEOSA-N 2 1 313.445 3.160 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc21 ZINC000639611803 435367661 /nfs/dbraw/zinc/36/76/61/435367661.db2.gz DSMKUAPJXSWEME-INIZCTEOSA-N 2 1 313.445 3.160 20 0 DGADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639641986 435376368 /nfs/dbraw/zinc/37/63/68/435376368.db2.gz OBKHWENQDIZXPU-IHPCNDPISA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639641986 435376369 /nfs/dbraw/zinc/37/63/69/435376369.db2.gz OBKHWENQDIZXPU-IHPCNDPISA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639641986 435376370 /nfs/dbraw/zinc/37/63/70/435376370.db2.gz OBKHWENQDIZXPU-IHPCNDPISA-N 2 1 314.473 3.009 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000513056687 435376470 /nfs/dbraw/zinc/37/64/70/435376470.db2.gz KGSUHGQWHXMJJX-ROUUACIJSA-N 2 1 302.462 3.017 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000513056687 435376472 /nfs/dbraw/zinc/37/64/72/435376472.db2.gz KGSUHGQWHXMJJX-ROUUACIJSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@@H](O)C[N@@H+](C)C1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000513361820 435384594 /nfs/dbraw/zinc/38/45/94/435384594.db2.gz PNXFWRONKOSEFB-ABCZVMIZSA-N 2 1 322.880 3.130 20 0 DGADMP CCC(CC)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000513454899 435389274 /nfs/dbraw/zinc/38/92/74/435389274.db2.gz IQQXGAVDCXVGFE-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513501622 435391829 /nfs/dbraw/zinc/39/18/29/435391829.db2.gz UOFUQUKEGGTFNY-FXAWDEMLSA-N 2 1 309.457 3.472 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000480695032 435391865 /nfs/dbraw/zinc/39/18/65/435391865.db2.gz ITUZRESENGYCAG-SJORKVTESA-N 2 1 304.478 3.480 20 0 DGADMP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702956 435396609 /nfs/dbraw/zinc/39/66/09/435396609.db2.gz INMLMMPISRDUMZ-HNNXBMFYSA-N 2 1 322.412 3.496 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568162049 435397334 /nfs/dbraw/zinc/39/73/34/435397334.db2.gz NDETXJVWYDMYMZ-KBXCAEBGSA-N 2 1 311.429 3.069 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568162049 435397339 /nfs/dbraw/zinc/39/73/39/435397339.db2.gz NDETXJVWYDMYMZ-KBXCAEBGSA-N 2 1 311.429 3.069 20 0 DGADMP Cc1nc2ccccn2c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652191 435398179 /nfs/dbraw/zinc/39/81/79/435398179.db2.gz HNLZFUPPVVVLHN-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000536662889 435399821 /nfs/dbraw/zinc/39/98/21/435399821.db2.gz GMFFBLGCMBJVLB-IAGOWNOFSA-N 2 1 315.505 3.447 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000639907987 435454841 /nfs/dbraw/zinc/45/48/41/435454841.db2.gz XRDLAURNSNYJKE-BBWFWOEESA-N 2 1 308.853 3.244 20 0 DGADMP c1cc(CCC[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc2c1OCC2 ZINC000482243729 435459420 /nfs/dbraw/zinc/45/94/20/435459420.db2.gz OZNOVQAOXLYPRZ-GOSISDBHSA-N 2 1 314.473 3.161 20 0 DGADMP c1cc(CCC[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc2c1OCC2 ZINC000482243729 435459427 /nfs/dbraw/zinc/45/94/27/435459427.db2.gz OZNOVQAOXLYPRZ-GOSISDBHSA-N 2 1 314.473 3.161 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249632 435461344 /nfs/dbraw/zinc/46/13/44/435461344.db2.gz ZHLUPTGIIOVCPB-SJORKVTESA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249632 435461351 /nfs/dbraw/zinc/46/13/51/435461351.db2.gz ZHLUPTGIIOVCPB-SJORKVTESA-N 2 1 316.489 3.264 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000482320458 435462985 /nfs/dbraw/zinc/46/29/85/435462985.db2.gz NWLQLFIUSJZTTO-RLLQIKCJSA-N 2 1 323.569 3.310 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2(O)CCCC2)CC1)CC(C)C ZINC000537995356 435477225 /nfs/dbraw/zinc/47/72/25/435477225.db2.gz NPJYMUOESGBLRN-UHFFFAOYSA-N 2 1 310.526 3.372 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000481559943 435432868 /nfs/dbraw/zinc/43/28/68/435432868.db2.gz HKJXYVHBMATCBE-ZBFHGGJFSA-N 2 1 310.869 3.347 20 0 DGADMP COCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000514818583 435438931 /nfs/dbraw/zinc/43/89/31/435438931.db2.gz PGDICUCORXMLDS-INIZCTEOSA-N 2 1 310.507 3.237 20 0 DGADMP C[C@H]([NH2+]CCN1CCC2(CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000514854823 435443327 /nfs/dbraw/zinc/44/33/27/435443327.db2.gz UEHJXQHYKYVZCJ-ZWKOTPCHSA-N 2 1 307.526 3.010 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000644886517 435536255 /nfs/dbraw/zinc/53/62/55/435536255.db2.gz RFMMFDLXLCBTCD-OTMARIDSSA-N 2 1 311.429 3.037 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000538554638 435506662 /nfs/dbraw/zinc/50/66/62/435506662.db2.gz WUVKMTHTVZOGEI-UHFFFAOYSA-N 2 1 302.437 3.365 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)C2(CCCCC2)C1 ZINC000515864984 435507398 /nfs/dbraw/zinc/50/73/98/435507398.db2.gz SQJXWMBLQYBOJU-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000515864984 435507402 /nfs/dbraw/zinc/50/74/02/435507402.db2.gz SQJXWMBLQYBOJU-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000515864984 435507408 /nfs/dbraw/zinc/50/74/08/435507408.db2.gz SQJXWMBLQYBOJU-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP COC1(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCCC1 ZINC000483290799 435507889 /nfs/dbraw/zinc/50/78/89/435507889.db2.gz ACZJNVJVHMFJRO-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000515992692 435509478 /nfs/dbraw/zinc/50/94/78/435509478.db2.gz YPRDBOGCKPJIOC-MWDXBVQZSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000515992692 435509482 /nfs/dbraw/zinc/50/94/82/435509482.db2.gz YPRDBOGCKPJIOC-MWDXBVQZSA-N 2 1 312.498 3.064 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000516048949 435511542 /nfs/dbraw/zinc/51/15/42/435511542.db2.gz SHWGAPHMGGCISI-NLWGTHIKSA-N 2 1 318.505 3.395 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C[C@@H](c2ccccc2)C1 ZINC000569213965 435513391 /nfs/dbraw/zinc/51/33/91/435513391.db2.gz JKRWHDLBMGEUKA-CAIZAGQASA-N 2 1 316.489 3.004 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H](c2ccccc2)C1 ZINC000569213965 435513394 /nfs/dbraw/zinc/51/33/94/435513394.db2.gz JKRWHDLBMGEUKA-CAIZAGQASA-N 2 1 316.489 3.004 20 0 DGADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000483471833 435519702 /nfs/dbraw/zinc/51/97/02/435519702.db2.gz JLMNMDZTTIQMSP-RTBURBONSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483471833 435519705 /nfs/dbraw/zinc/51/97/05/435519705.db2.gz JLMNMDZTTIQMSP-RTBURBONSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483471833 435519709 /nfs/dbraw/zinc/51/97/09/435519709.db2.gz JLMNMDZTTIQMSP-RTBURBONSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000483471393 435520710 /nfs/dbraw/zinc/52/07/10/435520710.db2.gz JLMNMDZTTIQMSP-MOPGFXCFSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483471393 435520720 /nfs/dbraw/zinc/52/07/20/435520720.db2.gz JLMNMDZTTIQMSP-MOPGFXCFSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483471393 435520724 /nfs/dbraw/zinc/52/07/24/435520724.db2.gz JLMNMDZTTIQMSP-MOPGFXCFSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483477724 435522865 /nfs/dbraw/zinc/52/28/65/435522865.db2.gz KAMJJRWDEWAVII-RTBURBONSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483477724 435522867 /nfs/dbraw/zinc/52/28/67/435522867.db2.gz KAMJJRWDEWAVII-RTBURBONSA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483477724 435522870 /nfs/dbraw/zinc/52/28/70/435522870.db2.gz KAMJJRWDEWAVII-RTBURBONSA-N 2 1 316.489 3.488 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000538868750 435526767 /nfs/dbraw/zinc/52/67/67/435526767.db2.gz IOJXSYMZMBZMBF-YJBOKZPZSA-N 2 1 304.453 3.468 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCCOc2cc(C)cc(C)c2)CC1 ZINC000482820375 435484629 /nfs/dbraw/zinc/48/46/29/435484629.db2.gz AQCRVQCNPBOSTD-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCCOc2cc(C)cc(C)c2)CC1 ZINC000482820375 435484632 /nfs/dbraw/zinc/48/46/32/435484632.db2.gz AQCRVQCNPBOSTD-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CN(c1ccccc1)c1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000569668120 435550115 /nfs/dbraw/zinc/55/01/15/435550115.db2.gz PGQFVOGFHVRVHF-GOSISDBHSA-N 2 1 324.472 3.281 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000569668120 435550127 /nfs/dbraw/zinc/55/01/27/435550127.db2.gz PGQFVOGFHVRVHF-GOSISDBHSA-N 2 1 324.472 3.281 20 0 DGADMP c1ccc(CCCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484794720 435553628 /nfs/dbraw/zinc/55/36/28/435553628.db2.gz SGQZMIDHPSBNKZ-ZCNNSNEGSA-N 2 1 316.489 3.146 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649407774 435579512 /nfs/dbraw/zinc/57/95/12/435579512.db2.gz UFWYPIWTAJJXRC-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649407774 435579517 /nfs/dbraw/zinc/57/95/17/435579517.db2.gz UFWYPIWTAJJXRC-GUDVDZBRSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000540143259 435589182 /nfs/dbraw/zinc/58/91/82/435589182.db2.gz BJFSJCMLOHLOKA-BLLLJJGKSA-N 2 1 310.844 3.441 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000539083941 435537870 /nfs/dbraw/zinc/53/78/70/435537870.db2.gz BQBSMEGAPQGADZ-NSISKUIASA-N 2 1 316.489 3.401 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c(C)c1 ZINC000569501822 435539139 /nfs/dbraw/zinc/53/91/39/435539139.db2.gz PEQITGHXLUWPPY-SFHVURJKSA-N 2 1 318.505 3.498 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000484489333 435545488 /nfs/dbraw/zinc/54/54/88/435545488.db2.gz GDHTZNMZNNHBGG-FMKPAKJESA-N 2 1 310.869 3.427 20 0 DGADMP CCO[C@H]1C[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000569600367 435546375 /nfs/dbraw/zinc/54/63/75/435546375.db2.gz ASIPCCHFGZQYMF-GMNCBBECSA-N 2 1 302.462 3.197 20 0 DGADMP CCC(CC)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570246795 435602628 /nfs/dbraw/zinc/60/26/28/435602628.db2.gz BKPQGLHGLIFJBA-KRWDZBQOSA-N 2 1 324.896 3.400 20 0 DGADMP CCC(CC)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570246795 435602630 /nfs/dbraw/zinc/60/26/30/435602630.db2.gz BKPQGLHGLIFJBA-KRWDZBQOSA-N 2 1 324.896 3.400 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCC(C(F)(F)F)CC1 ZINC000570760030 435648199 /nfs/dbraw/zinc/64/81/99/435648199.db2.gz XUGDVZGASJLZJI-PNESKVBLSA-N 2 1 303.372 3.309 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000519523042 435685654 /nfs/dbraw/zinc/68/56/54/435685654.db2.gz PNRBJGUMSMVMMR-CQSZACIVSA-N 2 1 315.461 3.096 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668425 435697894 /nfs/dbraw/zinc/69/78/94/435697894.db2.gz IUJXPKUGZJXNKG-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668425 435697898 /nfs/dbraw/zinc/69/78/98/435697898.db2.gz IUJXPKUGZJXNKG-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000519668425 435697903 /nfs/dbraw/zinc/69/79/03/435697903.db2.gz IUJXPKUGZJXNKG-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000519668425 435697908 /nfs/dbraw/zinc/69/79/08/435697908.db2.gz IUJXPKUGZJXNKG-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+](CCC[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000645828277 435701109 /nfs/dbraw/zinc/70/11/09/435701109.db2.gz JRRPZQXSUQZZRF-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](CCC[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000645828277 435701113 /nfs/dbraw/zinc/70/11/13/435701113.db2.gz JRRPZQXSUQZZRF-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655698257 435731878 /nfs/dbraw/zinc/73/18/78/435731878.db2.gz SOCISFIMYUNIHT-SFHVURJKSA-N 2 1 312.461 3.350 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCCC3)CCCO1 ZINC000491332712 435732746 /nfs/dbraw/zinc/73/27/46/435732746.db2.gz JAYFQESXMLUTJM-KRWDZBQOSA-N 2 1 316.489 3.156 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000641385966 435734090 /nfs/dbraw/zinc/73/40/90/435734090.db2.gz UHDIUEFFXNTIBU-HNNXBMFYSA-N 2 1 317.477 3.292 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CCC[NH+](C)C)s2)cc1C ZINC000655704142 435735455 /nfs/dbraw/zinc/73/54/55/435735455.db2.gz QQHNVFKPRDWNHW-UHFFFAOYSA-N 2 1 303.475 3.468 20 0 DGADMP c1ccc(CCCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655707821 435739972 /nfs/dbraw/zinc/73/99/72/435739972.db2.gz DSWYOLLYYMBGBP-HXUWFJFHSA-N 2 1 316.489 3.242 20 0 DGADMP Cc1cc(C)cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655715666 435743258 /nfs/dbraw/zinc/74/32/58/435743258.db2.gz NBLIYRWXMMZGEX-FQEVSTJZSA-N 2 1 316.489 3.079 20 0 DGADMP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655716676 435747922 /nfs/dbraw/zinc/74/79/22/435747922.db2.gz XAKYAUIFFGBVED-LMMKCTJWSA-N 2 1 308.510 3.436 20 0 DGADMP FC1(F)C[C@]12CC[NH+](C/C=C\C[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907488 435749958 /nfs/dbraw/zinc/74/99/58/435749958.db2.gz SNRUFUCNVLFFFT-GFCAHOMWSA-N 2 1 318.358 3.005 20 0 DGADMP CO[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000549350451 435757026 /nfs/dbraw/zinc/75/70/26/435757026.db2.gz XBLPPFRVOAGKFN-LJQANCHMSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)C1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655735909 435757383 /nfs/dbraw/zinc/75/73/83/435757383.db2.gz ZUCNPELOYRMCNN-FAFZWHIHSA-N 2 1 308.510 3.292 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655776354 435791496 /nfs/dbraw/zinc/79/14/96/435791496.db2.gz IETQVALZMXHTRT-OALUTQOASA-N 2 1 302.462 3.371 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC2CCC1CC2 ZINC000655779867 435792474 /nfs/dbraw/zinc/79/24/74/435792474.db2.gz SVQMQSKFGSZGCN-BXNZUYAZSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC2CCC1CC2 ZINC000655780823 435793976 /nfs/dbraw/zinc/79/39/76/435793976.db2.gz LYHQTFGKMTXFSZ-AAKURSQFSA-N 2 1 320.521 3.434 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000550142847 435794529 /nfs/dbraw/zinc/79/45/29/435794529.db2.gz KCMTVHNZJHLSNZ-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000550142847 435794535 /nfs/dbraw/zinc/79/45/35/435794535.db2.gz KCMTVHNZJHLSNZ-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC000660539769 435795935 /nfs/dbraw/zinc/79/59/35/435795935.db2.gz NTPBVTHHJBACIV-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539769 435795943 /nfs/dbraw/zinc/79/59/43/435795943.db2.gz NTPBVTHHJBACIV-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539769 435795952 /nfs/dbraw/zinc/79/59/52/435795952.db2.gz NTPBVTHHJBACIV-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@H+](CC3CC3)C2)c2ccccn21 ZINC000651708324 435799669 /nfs/dbraw/zinc/79/96/69/435799669.db2.gz NCQJVNMMHKWUOB-MRXNPFEDSA-N 2 1 312.461 3.032 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccn21 ZINC000651708324 435799675 /nfs/dbraw/zinc/79/96/75/435799675.db2.gz NCQJVNMMHKWUOB-MRXNPFEDSA-N 2 1 312.461 3.032 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655800139 435807059 /nfs/dbraw/zinc/80/70/59/435807059.db2.gz ZKONTBICMJVLPI-HUUCEWRRSA-N 2 1 323.278 3.474 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccn21 ZINC000651736268 435810746 /nfs/dbraw/zinc/81/07/46/435810746.db2.gz RVJGFSQKKVFRKJ-YOEHRIQHSA-N 2 1 312.461 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccn21 ZINC000651736268 435810751 /nfs/dbraw/zinc/81/07/51/435810751.db2.gz RVJGFSQKKVFRKJ-YOEHRIQHSA-N 2 1 312.461 3.030 20 0 DGADMP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000651758827 435818416 /nfs/dbraw/zinc/81/84/16/435818416.db2.gz PGQXFSLJAHBBOU-VAMGGRTRSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000660485279 435768485 /nfs/dbraw/zinc/76/84/85/435768485.db2.gz DYSNXGIMQUAMDU-YRPNKDGESA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000660485279 435768488 /nfs/dbraw/zinc/76/84/88/435768488.db2.gz DYSNXGIMQUAMDU-YRPNKDGESA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000660485279 435768495 /nfs/dbraw/zinc/76/84/95/435768495.db2.gz DYSNXGIMQUAMDU-YRPNKDGESA-N 2 1 316.489 3.098 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)C[NH+](C)C)s2)cc1 ZINC000491545251 435769381 /nfs/dbraw/zinc/76/93/81/435769381.db2.gz KFFWJEQPYZNPML-AWEZNQCLSA-N 2 1 303.475 3.406 20 0 DGADMP c1cc2cc[nH+]cc2c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655751922 435774583 /nfs/dbraw/zinc/77/45/83/435774583.db2.gz MJBWFERZABXBRG-QGZVFWFLSA-N 2 1 311.429 3.290 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491587869 435775509 /nfs/dbraw/zinc/77/55/09/435775509.db2.gz CKUSZTNBXAFLBZ-MRXNPFEDSA-N 2 1 314.477 3.283 20 0 DGADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OCC(C)C ZINC000491594867 435777062 /nfs/dbraw/zinc/77/70/62/435777062.db2.gz UVHCZWPGRFPMGG-HNNXBMFYSA-N 2 1 308.466 3.017 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(OC(F)F)cc1C ZINC000491594001 435778629 /nfs/dbraw/zinc/77/86/29/435778629.db2.gz LQCJIKSAHFNUIJ-LLVKDONJSA-N 2 1 300.393 3.192 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104765 435780200 /nfs/dbraw/zinc/78/02/00/435780200.db2.gz XPKQMEQAXKNODX-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1csc3ccccc13)CCO2 ZINC000646104746 435781250 /nfs/dbraw/zinc/78/12/50/435781250.db2.gz XBDBDLWVFFSSGQ-UHFFFAOYSA-N 2 1 316.470 3.198 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103574 435783169 /nfs/dbraw/zinc/78/31/69/435783169.db2.gz JPDHUADPEDTUHA-CQSZACIVSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103574 435783175 /nfs/dbraw/zinc/78/31/75/435783175.db2.gz JPDHUADPEDTUHA-CQSZACIVSA-N 2 1 308.853 3.198 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803658 435828590 /nfs/dbraw/zinc/82/85/90/435828590.db2.gz DEYOKUDQKMIFGN-NUEKZKHPSA-N 2 1 317.477 3.161 20 0 DGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000641807504 435829384 /nfs/dbraw/zinc/82/93/84/435829384.db2.gz VCIVAPVOOFRVDY-ROUUACIJSA-N 2 1 323.440 3.008 20 0 DGADMP C1CCC([NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000655848948 435838291 /nfs/dbraw/zinc/83/82/91/435838291.db2.gz MGTCLGZCNBNKJF-WOJBJXKFSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)CC1 ZINC000655848948 435838296 /nfs/dbraw/zinc/83/82/96/435838296.db2.gz MGTCLGZCNBNKJF-WOJBJXKFSA-N 2 1 319.537 3.390 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(F)cc3cccnc31)C2 ZINC000660656407 435841739 /nfs/dbraw/zinc/84/17/39/435841739.db2.gz UDSYKPLHZJQXDZ-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(F)cc3cccnc31)C2 ZINC000660656405 435841904 /nfs/dbraw/zinc/84/19/04/435841904.db2.gz UDSYKPLHZJQXDZ-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP COc1ccc([C@@H](C)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660663613 435849027 /nfs/dbraw/zinc/84/90/27/435849027.db2.gz OHIVZROHFATIRW-QFBILLFUSA-N 2 1 302.462 3.216 20 0 DGADMP CC(C)C(C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC000551806501 435854804 /nfs/dbraw/zinc/85/48/04/435854804.db2.gz NMQPKTBBBSXZTN-KDURUIRLSA-N 2 1 323.569 3.405 20 0 DGADMP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000655938535 435864023 /nfs/dbraw/zinc/86/40/23/435864023.db2.gz XGUIPGSUJWNXBK-RDTXWAMCSA-N 2 1 308.416 3.361 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000655938535 435864028 /nfs/dbraw/zinc/86/40/28/435864028.db2.gz XGUIPGSUJWNXBK-RDTXWAMCSA-N 2 1 308.416 3.361 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000641797545 435823786 /nfs/dbraw/zinc/82/37/86/435823786.db2.gz FHSLKBWZORMJQO-BBWFWOEESA-N 2 1 311.429 3.209 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000552086685 435882025 /nfs/dbraw/zinc/88/20/25/435882025.db2.gz MYMJUZDQJLBBLH-CJNGLKHVSA-N 2 1 305.853 3.225 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000552335146 435898260 /nfs/dbraw/zinc/89/82/60/435898260.db2.gz KGUTZNXNWYAWDJ-WBVHZDCISA-N 2 1 318.461 3.200 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000552335146 435898262 /nfs/dbraw/zinc/89/82/62/435898262.db2.gz KGUTZNXNWYAWDJ-WBVHZDCISA-N 2 1 318.461 3.200 20 0 DGADMP Fc1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cccc1OC1CC1 ZINC000665244227 435926155 /nfs/dbraw/zinc/92/61/55/435926155.db2.gz JIOGLVLJFPATHU-BRWVUGGUSA-N 2 1 318.436 3.377 20 0 DGADMP COC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000665240803 435926569 /nfs/dbraw/zinc/92/65/69/435926569.db2.gz SSVFBNSLDKDABA-WDYCEAGBSA-N 2 1 320.477 3.283 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)s1 ZINC000665249957 435927718 /nfs/dbraw/zinc/92/77/18/435927718.db2.gz CNUOOLCLSSBIKX-VIFPVBQESA-N 2 1 303.269 3.433 20 0 DGADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCC2)cnn1-c1ccc(F)cc1 ZINC000665249024 435929391 /nfs/dbraw/zinc/92/93/91/435929391.db2.gz HZTDIMCVFIVRSV-ZDUSSCGKSA-N 2 1 316.424 3.242 20 0 DGADMP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254740 435930023 /nfs/dbraw/zinc/93/00/23/435930023.db2.gz YQCIOYFPZNCGOV-UTRMSSBJSA-N 2 1 320.452 3.066 20 0 DGADMP CCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665258694 435931859 /nfs/dbraw/zinc/93/18/59/435931859.db2.gz JFADFKGMQSECPL-FRFSOERESA-N 2 1 308.441 3.448 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258893 435933080 /nfs/dbraw/zinc/93/30/80/435933080.db2.gz OHVKZQBZYLHUNR-WZGPROSRSA-N 2 1 320.452 3.066 20 0 DGADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665262265 435933242 /nfs/dbraw/zinc/93/32/42/435933242.db2.gz XJCSUCFFEIMDDU-JECHBYEQSA-N 2 1 318.367 3.467 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCc2cccc(F)c2)C1 ZINC000652363438 435958935 /nfs/dbraw/zinc/95/89/35/435958935.db2.gz DTBTTZYSLSKYCA-CEXWTWQISA-N 2 1 320.452 3.119 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)c1 ZINC000652361587 435960113 /nfs/dbraw/zinc/96/01/13/435960113.db2.gz KRANVGBMAOHJFQ-RLLQIKCJSA-N 2 1 316.489 3.473 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C2CCC(F)(F)CC2)[C@H](c2ccccc2)C1 ZINC000647249182 435993378 /nfs/dbraw/zinc/99/33/78/435993378.db2.gz HSTFAQHMYOZDOH-WBVHZDCISA-N 2 1 308.416 3.499 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707804 435995307 /nfs/dbraw/zinc/99/53/07/435995307.db2.gz NKVRFXCJLYPFIW-MDNKFWRPSA-N 2 1 316.489 3.084 20 0 DGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347578 435954981 /nfs/dbraw/zinc/95/49/81/435954981.db2.gz DTTJMNZTNCZYNJ-LDDOYCOJSA-N 2 1 306.425 3.105 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000652348618 435955786 /nfs/dbraw/zinc/95/57/86/435955786.db2.gz KPONLNMZGQBTPY-FXECBMLZSA-N 2 1 318.436 3.031 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000652348196 435956558 /nfs/dbraw/zinc/95/65/58/435956558.db2.gz XEVYHBMHMZVUOP-LFGUQSLTSA-N 2 1 314.473 3.282 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000652348195 435956942 /nfs/dbraw/zinc/95/69/42/435956942.db2.gz XEVYHBMHMZVUOP-JYBIWHBTSA-N 2 1 314.473 3.282 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)[C@@H]1CC[NH3+] ZINC000650711545 435998175 /nfs/dbraw/zinc/99/81/75/435998175.db2.gz WQLAIUCKYAIEIW-IUODEOHRSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)[C@@H]1CC[NH3+] ZINC000650711545 435998183 /nfs/dbraw/zinc/99/81/83/435998183.db2.gz WQLAIUCKYAIEIW-IUODEOHRSA-N 2 1 320.868 3.176 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711256 435999003 /nfs/dbraw/zinc/99/90/03/435999003.db2.gz NDYYSKVLSIRPLN-BEFAXECRSA-N 2 1 312.461 3.130 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)[C@H]1CC[NH3+] ZINC000650711434 435999175 /nfs/dbraw/zinc/99/91/75/435999175.db2.gz UDAHQCLXDVTERI-BBRMVZONSA-N 2 1 316.474 3.154 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000650715108 436002067 /nfs/dbraw/zinc/00/20/67/436002067.db2.gz PGYXAJMVAIIOGK-ZWKOTPCHSA-N 2 1 302.462 3.092 20 0 DGADMP CCCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722876 436005959 /nfs/dbraw/zinc/00/59/59/436005959.db2.gz COGQJVCFYJLJKN-ZCNNSNEGSA-N 2 1 316.489 3.500 20 0 DGADMP COc1ccc([C@@H](CC(C)C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000647300437 436008310 /nfs/dbraw/zinc/00/83/10/436008310.db2.gz QMOAIGJFQPJJJP-GOSISDBHSA-N 2 1 301.434 3.348 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000650723305 436009029 /nfs/dbraw/zinc/00/90/29/436009029.db2.gz KZYURVRZEXCDIZ-SZVBFZGTSA-N 2 1 314.429 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)CC[N@H+]1C ZINC000647320806 436013802 /nfs/dbraw/zinc/01/38/02/436013802.db2.gz FFSYEJYTOWICEG-KFWWJZLASA-N 2 1 306.475 3.002 20 0 DGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1C(C)C ZINC000650754320 436019491 /nfs/dbraw/zinc/01/94/91/436019491.db2.gz GGWWEPWMZUSDQC-GFCCVEGCSA-N 2 1 304.413 3.221 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000647344148 436025669 /nfs/dbraw/zinc/02/56/69/436025669.db2.gz KDQNAKVGWRBNAI-AABGKKOBSA-N 2 1 309.457 3.468 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)[C@H](c2ccccc2)C1 ZINC000647344563 436026744 /nfs/dbraw/zinc/02/67/44/436026744.db2.gz UIOBHLKIHFMVHM-SQNIBIBYSA-N 2 1 316.489 3.268 20 0 DGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784346 436043351 /nfs/dbraw/zinc/04/33/51/436043351.db2.gz CPMKOLMGKGIIHZ-GOSISDBHSA-N 2 1 309.457 3.446 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781966 436043457 /nfs/dbraw/zinc/04/34/57/436043457.db2.gz BBPNFZMWOUXTEC-OAHLLOKOSA-N 2 1 305.491 3.232 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000656786069 436044245 /nfs/dbraw/zinc/04/42/45/436044245.db2.gz VAAJWDYSPPTWFS-OXJNMPFZSA-N 2 1 309.457 3.412 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000656786069 436044249 /nfs/dbraw/zinc/04/42/49/436044249.db2.gz VAAJWDYSPPTWFS-OXJNMPFZSA-N 2 1 309.457 3.412 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786522 436045654 /nfs/dbraw/zinc/04/56/54/436045654.db2.gz UAWGMNIWCIIOAY-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP CC(C)(C)[NH2+]CC[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000656787696 436048428 /nfs/dbraw/zinc/04/84/28/436048428.db2.gz SBPQLSBLBUYEEX-AWEZNQCLSA-N 2 1 309.885 3.144 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000650707283 435995611 /nfs/dbraw/zinc/99/56/11/435995611.db2.gz CEYIQHVQSXRVLL-BBWFWOEESA-N 2 1 324.415 3.343 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000650705833 435996338 /nfs/dbraw/zinc/99/63/38/435996338.db2.gz XVOYIOKYHZAJKV-BFYDXBDKSA-N 2 1 308.853 3.058 20 0 DGADMP CC[NH2+]Cc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)c1 ZINC000647662765 436099129 /nfs/dbraw/zinc/09/91/29/436099129.db2.gz RFYSQEAEWHROLD-CQSZACIVSA-N 2 1 314.433 3.145 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000647479965 436059852 /nfs/dbraw/zinc/05/98/52/436059852.db2.gz ZJSGKIZTRWCKGO-AEFFLSMTSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647496564 436066766 /nfs/dbraw/zinc/06/67/66/436066766.db2.gz VMPZVPYHAAZYGF-CJNGLKHVSA-N 2 1 324.428 3.002 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647496564 436066767 /nfs/dbraw/zinc/06/67/67/436066767.db2.gz VMPZVPYHAAZYGF-CJNGLKHVSA-N 2 1 324.428 3.002 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@H]1[NH3+] ZINC000647498558 436066801 /nfs/dbraw/zinc/06/68/01/436066801.db2.gz KAOKKAYAIAIXKE-UKRRQHHQSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@H]1[NH3+] ZINC000647498558 436066802 /nfs/dbraw/zinc/06/68/02/436066802.db2.gz KAOKKAYAIAIXKE-UKRRQHHQSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OC ZINC000647505651 436068493 /nfs/dbraw/zinc/06/84/93/436068493.db2.gz PAASSYMHCTZIKN-CQSZACIVSA-N 2 1 308.466 3.289 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OCC ZINC000647531700 436074143 /nfs/dbraw/zinc/07/41/43/436074143.db2.gz UEVRBWOSVVQTIY-UHFFFAOYSA-N 2 1 306.450 3.187 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647536574 436075334 /nfs/dbraw/zinc/07/53/34/436075334.db2.gz DRURMSIEOGNIAK-LJQANCHMSA-N 2 1 324.428 3.004 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC[NH2+]C1 ZINC000647537378 436075364 /nfs/dbraw/zinc/07/53/64/436075364.db2.gz XEPRLNAUVXIPRR-KDOFPFPSSA-N 2 1 315.486 3.475 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543867 436077874 /nfs/dbraw/zinc/07/78/74/436077874.db2.gz TUJDKLAFWVFSPT-IRXDYDNUSA-N 2 1 302.462 3.297 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542951 436078317 /nfs/dbraw/zinc/07/83/17/436078317.db2.gz FDZCEHBWUXYRJP-HUUCEWRRSA-N 2 1 319.518 3.234 20 0 DGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2cn1 ZINC000647543812 436078750 /nfs/dbraw/zinc/07/87/50/436078750.db2.gz SJSIHHASKYVGHN-UYAOXDASSA-N 2 1 309.457 3.446 20 0 DGADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543152 436079114 /nfs/dbraw/zinc/07/91/14/436079114.db2.gz IGOJJHLAONQEBY-ZWKOTPCHSA-N 2 1 324.472 3.084 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC000647544396 436080672 /nfs/dbraw/zinc/08/06/72/436080672.db2.gz ZSUCZJFTBGCQRC-KBPBESRZSA-N 2 1 312.379 3.316 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000647550807 436082561 /nfs/dbraw/zinc/08/25/61/436082561.db2.gz ISFXOSPDMAICOL-DOMZBBRYSA-N 2 1 323.278 3.068 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000647551254 436083376 /nfs/dbraw/zinc/08/33/76/436083376.db2.gz DBZPJLHQEVCSAZ-DOMZBBRYSA-N 2 1 312.379 3.325 20 0 DGADMP CC[NH2+]Cc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2CC)c1 ZINC000647662764 436098997 /nfs/dbraw/zinc/09/89/97/436098997.db2.gz RFYSQEAEWHROLD-AWEZNQCLSA-N 2 1 314.433 3.145 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803183 436125287 /nfs/dbraw/zinc/12/52/87/436125287.db2.gz LCTCEVOTANFTHR-LAUBAEHRSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647803183 436125293 /nfs/dbraw/zinc/12/52/93/436125293.db2.gz LCTCEVOTANFTHR-LAUBAEHRSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647803183 436125299 /nfs/dbraw/zinc/12/52/99/436125299.db2.gz LCTCEVOTANFTHR-LAUBAEHRSA-N 2 1 323.484 3.146 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CO1 ZINC000657313275 436132650 /nfs/dbraw/zinc/13/26/50/436132650.db2.gz IKKDXJWJCAYFHD-MOPGFXCFSA-N 2 1 302.462 3.117 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647881134 436140243 /nfs/dbraw/zinc/14/02/43/436140243.db2.gz CYFXUZFXAYSSLK-LJQANCHMSA-N 2 1 316.489 3.482 20 0 DGADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666082173 436141798 /nfs/dbraw/zinc/14/17/98/436141798.db2.gz GCLUKHYVYMSHIE-HIFRSBDPSA-N 2 1 304.865 3.271 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000647908398 436144903 /nfs/dbraw/zinc/14/49/03/436144903.db2.gz QMEJXHAETQKPMS-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000657338948 436146867 /nfs/dbraw/zinc/14/68/67/436146867.db2.gz XRAGYJYMSWIVLI-ARFHVFGLSA-N 2 1 308.491 3.117 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000657338948 436146874 /nfs/dbraw/zinc/14/68/74/436146874.db2.gz XRAGYJYMSWIVLI-ARFHVFGLSA-N 2 1 308.491 3.117 20 0 DGADMP CC1([NH3+])CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000647924909 436149909 /nfs/dbraw/zinc/14/99/09/436149909.db2.gz UVHUNBJUSKTLON-UHFFFAOYSA-N 2 1 303.233 3.185 20 0 DGADMP CC[C@H](NCc1ccnn1-c1ccncc1)c1nc(C)cs1 ZINC000657350521 436151189 /nfs/dbraw/zinc/15/11/89/436151189.db2.gz DWKUTYJBXPLUHS-HNNXBMFYSA-N 2 1 313.430 3.273 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647936861 436152961 /nfs/dbraw/zinc/15/29/61/436152961.db2.gz MGKNUHLUDIGKEJ-JSGCOSHPSA-N 2 1 316.367 3.143 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@@H]1[NH3+] ZINC000647939855 436153914 /nfs/dbraw/zinc/15/39/14/436153914.db2.gz CPYMMFGVFNIJPY-AEFFLSMTSA-N 2 1 302.462 3.374 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@@H]1[NH3+] ZINC000647939855 436153917 /nfs/dbraw/zinc/15/39/17/436153917.db2.gz CPYMMFGVFNIJPY-AEFFLSMTSA-N 2 1 302.462 3.374 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000661706046 436160867 /nfs/dbraw/zinc/16/08/67/436160867.db2.gz HCSQUJXNSPYVBQ-PKOBYXMFSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@]2(C)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000661706046 436160872 /nfs/dbraw/zinc/16/08/72/436160872.db2.gz HCSQUJXNSPYVBQ-PKOBYXMFSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@]2(C)CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000661706046 436160879 /nfs/dbraw/zinc/16/08/79/436160879.db2.gz HCSQUJXNSPYVBQ-PKOBYXMFSA-N 2 1 302.462 3.143 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1CCc1c[nH+]cn1C ZINC000661798632 436192771 /nfs/dbraw/zinc/19/27/71/436192771.db2.gz NVJPSTDZQGMGGD-DYVFJYSZSA-N 2 1 319.836 3.078 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-n3ccnc3)cs1)CCOCC2 ZINC000648071332 436202694 /nfs/dbraw/zinc/20/26/94/436202694.db2.gz YNELGLISLLTNAS-CQSZACIVSA-N 2 1 317.458 3.325 20 0 DGADMP c1ccc2c(c1)onc2CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000653557963 436204689 /nfs/dbraw/zinc/20/46/89/436204689.db2.gz PXQORBDLHNCUGH-INIZCTEOSA-N 2 1 313.445 3.321 20 0 DGADMP c1ccc2c(c1)onc2CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000653557963 436204691 /nfs/dbraw/zinc/20/46/91/436204691.db2.gz PXQORBDLHNCUGH-INIZCTEOSA-N 2 1 313.445 3.321 20 0 DGADMP CC(C)[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648072109 436205486 /nfs/dbraw/zinc/20/54/86/436205486.db2.gz LVXYMDZYNBUMMJ-LJQANCHMSA-N 2 1 316.489 3.223 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2noc3ccccc32)C[C@H]1C ZINC000653564086 436206334 /nfs/dbraw/zinc/20/63/34/436206334.db2.gz OWYYYAJAGCZSDZ-HUUCEWRRSA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2noc3ccccc32)C[C@H]1C ZINC000653564086 436206338 /nfs/dbraw/zinc/20/63/38/436206338.db2.gz OWYYYAJAGCZSDZ-HUUCEWRRSA-N 2 1 301.434 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2noc3ccccc32)C[C@H]1C ZINC000653564086 436206340 /nfs/dbraw/zinc/20/63/40/436206340.db2.gz OWYYYAJAGCZSDZ-HUUCEWRRSA-N 2 1 301.434 3.175 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461025 436213035 /nfs/dbraw/zinc/21/30/35/436213035.db2.gz CWLRCBMZVZJMAN-OTWHNJEPSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461025 436213037 /nfs/dbraw/zinc/21/30/37/436213037.db2.gz CWLRCBMZVZJMAN-OTWHNJEPSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](c1cccc2ccccc21)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154533 436288149 /nfs/dbraw/zinc/28/81/49/436288149.db2.gz GKWQCUUCXRRRJT-APWZRJJASA-N 2 1 324.468 3.432 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000666852112 436293827 /nfs/dbraw/zinc/29/38/27/436293827.db2.gz HVGRHDYOCLBHAZ-KBPBESRZSA-N 2 1 317.458 3.178 20 0 DGADMP C[C@H](O)C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000653904158 436294553 /nfs/dbraw/zinc/29/45/53/436294553.db2.gz OHNMDCOLUSJXMR-INIZCTEOSA-N 2 1 302.462 3.018 20 0 DGADMP C[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751886 436294755 /nfs/dbraw/zinc/29/47/55/436294755.db2.gz VHDIRFJKNBTJHY-FXAWDEMLSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000657561332 436244707 /nfs/dbraw/zinc/24/47/07/436244707.db2.gz FSYRSMQZYPTRSQ-QRQLOZEOSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000657561332 436244711 /nfs/dbraw/zinc/24/47/11/436244711.db2.gz FSYRSMQZYPTRSQ-QRQLOZEOSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561332 436244714 /nfs/dbraw/zinc/24/47/14/436244714.db2.gz FSYRSMQZYPTRSQ-QRQLOZEOSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561332 436244719 /nfs/dbraw/zinc/24/47/19/436244719.db2.gz FSYRSMQZYPTRSQ-QRQLOZEOSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662022427 436249861 /nfs/dbraw/zinc/24/98/61/436249861.db2.gz UOSPWDQWXOETSP-IBGZPJMESA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662022427 436249865 /nfs/dbraw/zinc/24/98/65/436249865.db2.gz UOSPWDQWXOETSP-IBGZPJMESA-N 2 1 312.461 3.182 20 0 DGADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000666654387 436261631 /nfs/dbraw/zinc/26/16/31/436261631.db2.gz FDSYPSFYDAMSOP-KRWDZBQOSA-N 2 1 308.441 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657619894 436263352 /nfs/dbraw/zinc/26/33/52/436263352.db2.gz WDRHDINMDPWCIZ-HYVNUMGLSA-N 2 1 324.415 3.053 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000657619894 436263354 /nfs/dbraw/zinc/26/33/54/436263354.db2.gz WDRHDINMDPWCIZ-HYVNUMGLSA-N 2 1 324.415 3.053 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cs2)cc1 ZINC000666743770 436274617 /nfs/dbraw/zinc/27/46/17/436274617.db2.gz BEMJAMKIMGKNPK-XJKSGUPXSA-N 2 1 317.458 3.036 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657772266 436300889 /nfs/dbraw/zinc/30/08/89/436300889.db2.gz LGTFDKFIDKTORJ-BHIYHBOVSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244672 436310355 /nfs/dbraw/zinc/31/03/55/436310355.db2.gz JOJYVDWRDMXEGW-NEPJUHHUSA-N 2 1 300.418 3.116 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662244672 436310359 /nfs/dbraw/zinc/31/03/59/436310359.db2.gz JOJYVDWRDMXEGW-NEPJUHHUSA-N 2 1 300.418 3.116 20 0 DGADMP Cc1ccccc1OCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248582 436310889 /nfs/dbraw/zinc/31/08/89/436310889.db2.gz GQKSUNCRDODVSF-UHFFFAOYSA-N 2 1 310.441 3.152 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253224 436312865 /nfs/dbraw/zinc/31/28/65/436312865.db2.gz UKBZMSNXYUQTKD-CXAGYDPISA-N 2 1 320.864 3.386 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250182 436313514 /nfs/dbraw/zinc/31/35/14/436313514.db2.gz AFDAFSGRDLELQP-DZGCQCFKSA-N 2 1 320.864 3.386 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662258282 436313791 /nfs/dbraw/zinc/31/37/91/436313791.db2.gz VFVGAVDLCHOGDP-MJGOQNOKSA-N 2 1 314.473 3.351 20 0 DGADMP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCCO1 ZINC000662255760 436313821 /nfs/dbraw/zinc/31/38/21/436313821.db2.gz DGZVQUBJNJWGGF-SFHVURJKSA-N 2 1 302.462 3.113 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662258684 436314087 /nfs/dbraw/zinc/31/40/87/436314087.db2.gz ZBPHIXKTYGKWKS-CEXWTWQISA-N 2 1 314.473 3.084 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCSc3ccc(F)cc3F)C[C@H]21 ZINC000662267156 436317098 /nfs/dbraw/zinc/31/70/98/436317098.db2.gz SSDAOEJBXWYDHJ-NJZAAPMLSA-N 2 1 312.429 3.116 20 0 DGADMP CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662278730 436322086 /nfs/dbraw/zinc/32/20/86/436322086.db2.gz LNTJZTRXOOFHFM-IBGZPJMESA-N 2 1 324.472 3.276 20 0 DGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662278730 436322089 /nfs/dbraw/zinc/32/20/89/436322089.db2.gz LNTJZTRXOOFHFM-IBGZPJMESA-N 2 1 324.472 3.276 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cncc(Br)c1 ZINC000657839755 436323124 /nfs/dbraw/zinc/32/31/24/436323124.db2.gz FUDUDDWQOTZGOA-NILFDRSVSA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cncc(Br)c1 ZINC000657839755 436323128 /nfs/dbraw/zinc/32/31/28/436323128.db2.gz FUDUDDWQOTZGOA-NILFDRSVSA-N 2 1 324.266 3.122 20 0 DGADMP c1coc(-c2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)no2)c1 ZINC000662291883 436324033 /nfs/dbraw/zinc/32/40/33/436324033.db2.gz YUVPCBIHNJTJST-HNNXBMFYSA-N 2 1 315.417 3.146 20 0 DGADMP c1coc(-c2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)no2)c1 ZINC000662297166 436325316 /nfs/dbraw/zinc/32/53/16/436325316.db2.gz OBBARSDGYDFJFR-HNNXBMFYSA-N 2 1 315.417 3.146 20 0 DGADMP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662296478 436325906 /nfs/dbraw/zinc/32/59/06/436325906.db2.gz QKVDYXPGZZZBFZ-AWEZNQCLSA-N 2 1 314.433 3.217 20 0 DGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662296478 436325910 /nfs/dbraw/zinc/32/59/10/436325910.db2.gz QKVDYXPGZZZBFZ-AWEZNQCLSA-N 2 1 314.433 3.217 20 0 DGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323382 436331459 /nfs/dbraw/zinc/33/14/59/436331459.db2.gz QASZDRBPLFFDHY-PKOBYXMFSA-N 2 1 304.478 3.050 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1COC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000657900602 436336488 /nfs/dbraw/zinc/33/64/88/436336488.db2.gz RGQRLUKMWFRGDK-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP COC1([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657899198 436337131 /nfs/dbraw/zinc/33/71/31/436337131.db2.gz IGBPKQAEGUTHQU-IAGOWNOFSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658092721 436371721 /nfs/dbraw/zinc/37/17/21/436371721.db2.gz RKKSUJQQLTZBQS-BHIYHBOVSA-N 2 1 321.553 3.492 20 0 DGADMP CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136103 436384590 /nfs/dbraw/zinc/38/45/90/436384590.db2.gz BOUDRSKWAVAKBW-OALUTQOASA-N 2 1 316.489 3.312 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143509 436386673 /nfs/dbraw/zinc/38/66/73/436386673.db2.gz ZDMVXXSFHYIOHK-XLIONFOSSA-N 2 1 324.468 3.412 20 0 DGADMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658141575 436387025 /nfs/dbraw/zinc/38/70/25/436387025.db2.gz XAASNCPNFFIVKT-VQTJNVASSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658146039 436387062 /nfs/dbraw/zinc/38/70/62/436387062.db2.gz UBLUBUPNMSKZBS-UTKZUKDTSA-N 2 1 324.468 3.412 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)C1 ZINC000658144966 436387625 /nfs/dbraw/zinc/38/76/25/436387625.db2.gz PNBQAROQODRDBB-FPOVZHCZSA-N 2 1 322.452 3.030 20 0 DGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1(CO)CC1 ZINC000658155337 436389227 /nfs/dbraw/zinc/38/92/27/436389227.db2.gz PEZMPUAZWAAUJI-IVMQYODDSA-N 2 1 316.489 3.180 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000658194555 436398400 /nfs/dbraw/zinc/39/84/00/436398400.db2.gz PEIAGQARUJEAJS-GBBGEASQSA-N 2 1 300.446 3.059 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@H]2CCC[C@H]21 ZINC000658206611 436400655 /nfs/dbraw/zinc/40/06/55/436400655.db2.gz JRZOHSMQUWKPSX-UHZRXMQZSA-N 2 1 314.473 3.022 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C)C1 ZINC000658208199 436401402 /nfs/dbraw/zinc/40/14/02/436401402.db2.gz YRDTYGLHCYXGEI-PJVZLEMVSA-N 2 1 308.510 3.149 20 0 DGADMP CCOC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320145 436429302 /nfs/dbraw/zinc/42/93/02/436429302.db2.gz OEWOTWLWSNYUST-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP c1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[nH]nc1-c1ccccc1 ZINC000663346960 436442669 /nfs/dbraw/zinc/44/26/69/436442669.db2.gz YTFSSDFBLRKYBM-KRWDZBQOSA-N 2 1 324.472 3.288 20 0 DGADMP c1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH]nc1-c1ccccc1 ZINC000663346960 436442671 /nfs/dbraw/zinc/44/26/71/436442671.db2.gz YTFSSDFBLRKYBM-KRWDZBQOSA-N 2 1 324.472 3.288 20 0 DGADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346188 436442722 /nfs/dbraw/zinc/44/27/22/436442722.db2.gz QGQOHMRTAQAGPM-CQSZACIVSA-N 2 1 305.491 3.232 20 0 DGADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346188 436442725 /nfs/dbraw/zinc/44/27/25/436442725.db2.gz QGQOHMRTAQAGPM-CQSZACIVSA-N 2 1 305.491 3.232 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343756 436443754 /nfs/dbraw/zinc/44/37/54/436443754.db2.gz DPZSJXBGHBLXBM-KRWDZBQOSA-N 2 1 320.452 3.436 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663343756 436443757 /nfs/dbraw/zinc/44/37/57/436443757.db2.gz DPZSJXBGHBLXBM-KRWDZBQOSA-N 2 1 320.452 3.436 20 0 DGADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347891 436444982 /nfs/dbraw/zinc/44/49/82/436444982.db2.gz ZIRGLIRBOAWQGK-GOSISDBHSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000663351254 436445577 /nfs/dbraw/zinc/44/55/77/436445577.db2.gz IMIWRICVRDWRDA-UHFFFAOYSA-N 2 1 322.334 3.130 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOCCF)CC1 ZINC000663461306 436462222 /nfs/dbraw/zinc/46/22/22/436462222.db2.gz YEZJGEYJAZXPNN-UHFFFAOYSA-N 2 1 308.441 3.005 20 0 DGADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465988 436464093 /nfs/dbraw/zinc/46/40/93/436464093.db2.gz MPSMMXCIMBIKDC-QFBILLFUSA-N 2 1 314.473 3.481 20 0 DGADMP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466706 436464798 /nfs/dbraw/zinc/46/47/98/436464798.db2.gz XFXKDVFVFQHCAD-KXBFYZLASA-N 2 1 317.452 3.383 20 0 DGADMP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466706 436464803 /nfs/dbraw/zinc/46/48/03/436464803.db2.gz XFXKDVFVFQHCAD-KXBFYZLASA-N 2 1 317.452 3.383 20 0 DGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663467052 436465657 /nfs/dbraw/zinc/46/56/57/436465657.db2.gz ZIFATAQVRRNXKU-KZNAEPCWSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663467056 436465679 /nfs/dbraw/zinc/46/56/79/436465679.db2.gz ZIFATAQVRRNXKU-RCCFBDPRSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)[C@H](O)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000658287683 436418881 /nfs/dbraw/zinc/41/88/81/436418881.db2.gz ISDUWNDQVBZWNC-PMACEKPBSA-N 2 1 316.489 3.209 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000663505051 436472071 /nfs/dbraw/zinc/47/20/71/436472071.db2.gz GYJQDSIOVJJQSW-QZTJIDSGSA-N 2 1 314.404 3.233 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009916 436579086 /nfs/dbraw/zinc/57/90/86/436579086.db2.gz CYMSALTTZAWGBE-XJKSGUPXSA-N 2 1 301.459 3.212 20 0 DGADMP Cc1cc(N2CCC3(CCC([NH+](C)C)CC3)CC2)nc(C)[nH+]1 ZINC000663945483 436532025 /nfs/dbraw/zinc/53/20/25/436532025.db2.gz KUYGVFPWZASHKT-UHFFFAOYSA-N 2 1 302.466 3.184 20 0 DGADMP c1ccc(SCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655682610 436573140 /nfs/dbraw/zinc/57/31/40/436573140.db2.gz HVRIDNXFZIVHOK-KRWDZBQOSA-N 2 1 320.502 3.012 20 0 DGADMP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655686528 436574128 /nfs/dbraw/zinc/57/41/28/436574128.db2.gz KEOQDMGUCHKLSK-PMACEKPBSA-N 2 1 316.489 3.269 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655690933 436575757 /nfs/dbraw/zinc/57/57/57/436575757.db2.gz AHLZBNNXUPPGOA-GOSISDBHSA-N 2 1 312.461 3.350 20 0 DGADMP c1cn2c(n1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000655692055 436575997 /nfs/dbraw/zinc/57/59/97/436575997.db2.gz CZIKKBHEAGSSCV-GOSISDBHSA-N 2 1 310.445 3.104 20 0 DGADMP CC(C)c1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000660074541 436586581 /nfs/dbraw/zinc/58/65/81/436586581.db2.gz OYOVZIBUQCIMOK-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)c1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000660074541 436586584 /nfs/dbraw/zinc/58/65/84/436586584.db2.gz OYOVZIBUQCIMOK-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000660114728 436589682 /nfs/dbraw/zinc/58/96/82/436589682.db2.gz JZWDYJIELSPQMZ-QXAKKESOSA-N 2 1 306.494 3.140 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000660114728 436589686 /nfs/dbraw/zinc/58/96/86/436589686.db2.gz JZWDYJIELSPQMZ-QXAKKESOSA-N 2 1 306.494 3.140 20 0 DGADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000664362882 436590071 /nfs/dbraw/zinc/59/00/71/436590071.db2.gz CSQBSRNVCJKCQY-INIZCTEOSA-N 2 1 315.848 3.488 20 0 DGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000664362882 436590074 /nfs/dbraw/zinc/59/00/74/436590074.db2.gz CSQBSRNVCJKCQY-INIZCTEOSA-N 2 1 315.848 3.488 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000660114717 436590468 /nfs/dbraw/zinc/59/04/68/436590468.db2.gz JZWDYJIELSPQMZ-BHIYHBOVSA-N 2 1 306.494 3.140 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000660114717 436590470 /nfs/dbraw/zinc/59/04/70/436590470.db2.gz JZWDYJIELSPQMZ-BHIYHBOVSA-N 2 1 306.494 3.140 20 0 DGADMP Cc1nccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000664562411 436618142 /nfs/dbraw/zinc/61/81/42/436618142.db2.gz GNHAUBPCZIZMNF-SFHVURJKSA-N 2 1 322.456 3.499 20 0 DGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000377268249 313035214 /nfs/dbraw/zinc/03/52/14/313035214.db2.gz SEPWRZYYIASUOF-CYBMUJFWSA-N 2 1 312.442 3.409 20 0 DGADMP Cn1ccnc1[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000377268249 313035216 /nfs/dbraw/zinc/03/52/16/313035216.db2.gz SEPWRZYYIASUOF-CYBMUJFWSA-N 2 1 312.442 3.409 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1SC ZINC000530407477 313367108 /nfs/dbraw/zinc/36/71/08/313367108.db2.gz LWXJZJGYKNWAJX-LBPRGKRZSA-N 2 1 305.447 3.044 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCCS2 ZINC000530407421 313367263 /nfs/dbraw/zinc/36/72/63/313367263.db2.gz GKBBLYDKPRQGPE-INIZCTEOSA-N 2 1 317.458 3.188 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665835 313393805 /nfs/dbraw/zinc/39/38/05/313393805.db2.gz DLFOMRUOQGFDOR-JSGCOSHPSA-N 2 1 324.852 3.373 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665835 313393807 /nfs/dbraw/zinc/39/38/07/313393807.db2.gz DLFOMRUOQGFDOR-JSGCOSHPSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665835 313393812 /nfs/dbraw/zinc/39/38/12/313393812.db2.gz DLFOMRUOQGFDOR-JSGCOSHPSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665835 313393813 /nfs/dbraw/zinc/39/38/13/313393813.db2.gz DLFOMRUOQGFDOR-JSGCOSHPSA-N 2 1 324.852 3.373 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000544580540 314200814 /nfs/dbraw/zinc/20/08/14/314200814.db2.gz YKPVOOLLUBITIX-BACDZXNISA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000544580540 314200816 /nfs/dbraw/zinc/20/08/16/314200816.db2.gz YKPVOOLLUBITIX-BACDZXNISA-N 2 1 322.493 3.103 20 0 DGADMP COc1ccc(C)cc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000559870338 314893431 /nfs/dbraw/zinc/89/34/31/314893431.db2.gz KGBOKYBAQFMQNA-IAGOWNOFSA-N 2 1 304.478 3.461 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC000562679899 315042762 /nfs/dbraw/zinc/04/27/62/315042762.db2.gz HRZOKSWXYRPUJI-MRXNPFEDSA-N 2 1 310.445 3.141 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC000562679899 315042764 /nfs/dbraw/zinc/04/27/64/315042764.db2.gz HRZOKSWXYRPUJI-MRXNPFEDSA-N 2 1 310.445 3.141 20 0 DGADMP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000563061402 315075442 /nfs/dbraw/zinc/07/54/42/315075442.db2.gz HYGDODVLTNNQKI-IAGOWNOFSA-N 2 1 301.478 3.175 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000563688971 315132259 /nfs/dbraw/zinc/13/22/59/315132259.db2.gz CKKPDGLMOLCCAI-RDTXWAMCSA-N 2 1 314.477 3.252 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000563688969 315132328 /nfs/dbraw/zinc/13/23/28/315132328.db2.gz CKKPDGLMOLCCAI-KSSFIOAISA-N 2 1 314.477 3.252 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000563777283 315137130 /nfs/dbraw/zinc/13/71/30/315137130.db2.gz GMUNMRUVUDHXHU-IAGOWNOFSA-N 2 1 323.550 3.308 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)C1 ZINC000563949485 315149469 /nfs/dbraw/zinc/14/94/69/315149469.db2.gz ZDJWTRJXXXFUHG-JKSUJKDBSA-N 2 1 314.477 3.204 20 0 DGADMP CN(CCC[N@@H+](C)C/C=C/c1ccc(Cl)cc1)CC[NH+](C)C ZINC000564150372 315160139 /nfs/dbraw/zinc/16/01/39/315160139.db2.gz AUEXGGOJHQSBNE-FNORWQNLSA-N 2 1 323.912 3.169 20 0 DGADMP CC(C)C1CCC(C[NH+]2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000564299309 315167277 /nfs/dbraw/zinc/16/72/77/315167277.db2.gz VVDZQLYSVNDCLA-UHFFFAOYSA-N 2 1 310.526 3.227 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000564557121 315182321 /nfs/dbraw/zinc/18/23/21/315182321.db2.gz IBPRIJKHNUIZEJ-JTQLQIEISA-N 2 1 303.219 3.238 20 0 DGADMP O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000564698826 315192390 /nfs/dbraw/zinc/19/23/90/315192390.db2.gz BTXONDMGSNPGQL-QGZVFWFLSA-N 2 1 324.428 3.396 20 0 DGADMP O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000564698826 315192392 /nfs/dbraw/zinc/19/23/92/315192392.db2.gz BTXONDMGSNPGQL-QGZVFWFLSA-N 2 1 324.428 3.396 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000565437699 315261666 /nfs/dbraw/zinc/26/16/66/315261666.db2.gz YCLUJTJOEVLILC-MSOLQXFVSA-N 2 1 300.446 3.084 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000566170930 315319911 /nfs/dbraw/zinc/31/99/11/315319911.db2.gz WCJOXJANHBYVQQ-WMZOPIPTSA-N 3 1 301.478 3.175 20 0 DGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000568179759 315487503 /nfs/dbraw/zinc/48/75/03/315487503.db2.gz GCNGAMQKYNMHRD-DLBZAZTESA-N 2 1 321.534 3.205 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000572736734 315814046 /nfs/dbraw/zinc/81/40/46/315814046.db2.gz BENHPTHPZGEJQU-GFCCVEGCSA-N 2 1 314.271 3.227 20 0 DGADMP c1ccc2c(c1)CC[C@]1(CC[N@@H+](CCC[NH+]3CCCCC3)C1)O2 ZINC000575957636 316078654 /nfs/dbraw/zinc/07/86/54/316078654.db2.gz JNSLBHUKKRJART-HXUWFJFHSA-N 2 1 314.473 3.332 20 0 DGADMP c1ccc2c(c1)CC[C@]1(CC[N@H+](CCC[NH+]3CCCCC3)C1)O2 ZINC000575957636 316078655 /nfs/dbraw/zinc/07/86/55/316078655.db2.gz JNSLBHUKKRJART-HXUWFJFHSA-N 2 1 314.473 3.332 20 0 DGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000575999529 316085037 /nfs/dbraw/zinc/08/50/37/316085037.db2.gz IYAYAWONNPUGCE-MRXNPFEDSA-N 2 1 315.461 3.314 20 0 DGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000575999529 316085042 /nfs/dbraw/zinc/08/50/42/316085042.db2.gz IYAYAWONNPUGCE-MRXNPFEDSA-N 2 1 315.461 3.314 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000576405194 316126554 /nfs/dbraw/zinc/12/65/54/316126554.db2.gz OQWRRSNVTILGKF-KSSFIOAISA-N 2 1 322.880 3.154 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc2cccnc12 ZINC000576594572 316147060 /nfs/dbraw/zinc/14/70/60/316147060.db2.gz ODXDEQBDGMSLIE-OALUTQOASA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc2cccnc12 ZINC000576594572 316147064 /nfs/dbraw/zinc/14/70/64/316147064.db2.gz ODXDEQBDGMSLIE-OALUTQOASA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc2cccnc12 ZINC000576594572 316147069 /nfs/dbraw/zinc/14/70/69/316147069.db2.gz ODXDEQBDGMSLIE-OALUTQOASA-N 2 1 309.457 3.459 20 0 DGADMP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000576696732 316158493 /nfs/dbraw/zinc/15/84/93/316158493.db2.gz PAPUBGTWEVILBO-HZPDHXFCSA-N 2 1 304.478 3.310 20 0 DGADMP COc1cccc2c1CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000577048249 316196027 /nfs/dbraw/zinc/19/60/27/316196027.db2.gz MXSCHYMTMGRNMK-RCCFBDPRSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000577048249 316196028 /nfs/dbraw/zinc/19/60/28/316196028.db2.gz MXSCHYMTMGRNMK-RCCFBDPRSA-N 2 1 300.446 3.289 20 0 DGADMP Cn1cncc1CCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000577121670 316204106 /nfs/dbraw/zinc/20/41/06/316204106.db2.gz HHQAIKYQCCGEIT-UHFFFAOYSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000577121670 316204111 /nfs/dbraw/zinc/20/41/11/316204111.db2.gz HHQAIKYQCCGEIT-UHFFFAOYSA-N 2 1 301.409 3.199 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000577121670 316204113 /nfs/dbraw/zinc/20/41/13/316204113.db2.gz HHQAIKYQCCGEIT-UHFFFAOYSA-N 2 1 301.409 3.199 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCc2cncn2C)C1(CC)CC ZINC000577408451 316233317 /nfs/dbraw/zinc/23/33/17/316233317.db2.gz XXAJBWMJIPQVNB-SJORKVTESA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408451 316233321 /nfs/dbraw/zinc/23/33/21/316233321.db2.gz XXAJBWMJIPQVNB-SJORKVTESA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408451 316233323 /nfs/dbraw/zinc/23/33/23/316233323.db2.gz XXAJBWMJIPQVNB-SJORKVTESA-N 2 1 307.482 3.268 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562071 316247454 /nfs/dbraw/zinc/24/74/54/316247454.db2.gz PEEKGQIGRGHQHM-KBXCAEBGSA-N 2 1 301.409 3.223 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000577795599 316271217 /nfs/dbraw/zinc/27/12/17/316271217.db2.gz MZLFOCNZPYRAAB-NXOAAHMSSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000577795599 316271221 /nfs/dbraw/zinc/27/12/21/316271221.db2.gz MZLFOCNZPYRAAB-NXOAAHMSSA-N 2 1 312.498 3.064 20 0 DGADMP C[N@@H+](Cc1cccc2nccn21)[C@H]1CCCN(c2ccccc2)C1 ZINC000180322750 323226845 /nfs/dbraw/zinc/22/68/45/323226845.db2.gz FWMNTJITCWWROO-SFHVURJKSA-N 2 1 320.440 3.435 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1nccn1C ZINC000182414838 323297441 /nfs/dbraw/zinc/29/74/41/323297441.db2.gz QSEOXDOKNQVQMF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1nccn1C ZINC000182414838 323297445 /nfs/dbraw/zinc/29/74/45/323297445.db2.gz QSEOXDOKNQVQMF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCn2ccnc2)C12CCCCC2 ZINC000183181388 323328745 /nfs/dbraw/zinc/32/87/45/323328745.db2.gz VLNWYUZJBCTTGR-DLBZAZTESA-N 2 1 305.466 3.333 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000184501436 323367061 /nfs/dbraw/zinc/36/70/61/323367061.db2.gz RBAFXIVNFANNRG-JKSUJKDBSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+]CCCOCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682023 323393138 /nfs/dbraw/zinc/39/31/38/323393138.db2.gz QUQOWRCBMRMTTQ-KBPBESRZSA-N 2 1 322.415 3.198 20 0 DGADMP Cc1nccn1CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754944 323395415 /nfs/dbraw/zinc/39/54/15/323395415.db2.gz QYOMCQPIQUGTLT-FUHWJXTLSA-N 2 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754944 323395422 /nfs/dbraw/zinc/39/54/22/323395422.db2.gz QYOMCQPIQUGTLT-FUHWJXTLSA-N 3 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754944 323395427 /nfs/dbraw/zinc/39/54/27/323395427.db2.gz QYOMCQPIQUGTLT-FUHWJXTLSA-N 3 1 318.509 3.214 20 0 DGADMP C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764315 323395527 /nfs/dbraw/zinc/39/55/27/323395527.db2.gz HZENYZAHEZWNHO-MSOLQXFVSA-N 2 1 315.505 3.365 20 0 DGADMP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000388343518 323652535 /nfs/dbraw/zinc/65/25/35/323652535.db2.gz KSQRYOCIVYNVLI-OXJNMPFZSA-N 2 1 316.489 3.097 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000388541487 323653263 /nfs/dbraw/zinc/65/32/63/323653263.db2.gz WZBDKDGETMOSAR-MWLCHTKSSA-N 2 1 303.269 3.118 20 0 DGADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000578433860 323731925 /nfs/dbraw/zinc/73/19/25/323731925.db2.gz MYEXSVSIJIKWED-OWCLPIDISA-N 2 1 305.466 3.336 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000579863703 323928633 /nfs/dbraw/zinc/92/86/33/323928633.db2.gz JOMISTBPQQMCGZ-SQNIBIBYSA-N 2 1 324.896 3.268 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000580665779 324024640 /nfs/dbraw/zinc/02/46/40/324024640.db2.gz JUHDRWOFOBISHW-HSALFYBXSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@H](c2nccn2C)C1)OCc1ccccc1 ZINC000581496495 324123649 /nfs/dbraw/zinc/12/36/49/324123649.db2.gz KCJFCJFRQWPTQW-WMZOPIPTSA-N 2 1 313.445 3.205 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000582195655 324202168 /nfs/dbraw/zinc/20/21/68/324202168.db2.gz MSPGHCSZFXMWLC-XUVXKRRUSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000582195655 324202171 /nfs/dbraw/zinc/20/21/71/324202171.db2.gz MSPGHCSZFXMWLC-XUVXKRRUSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000582195653 324202545 /nfs/dbraw/zinc/20/25/45/324202545.db2.gz MSPGHCSZFXMWLC-SLFFLAALSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000582195653 324202548 /nfs/dbraw/zinc/20/25/48/324202548.db2.gz MSPGHCSZFXMWLC-SLFFLAALSA-N 2 1 322.452 3.415 20 0 DGADMP C[C@@H](c1ccc(F)cc1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000582368755 324221656 /nfs/dbraw/zinc/22/16/56/324221656.db2.gz QOSOQTOYNONJJT-CABCVRRESA-N 2 1 306.425 3.072 20 0 DGADMP C[C@@H](c1ccc(F)cc1)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000582368755 324221658 /nfs/dbraw/zinc/22/16/58/324221658.db2.gz QOSOQTOYNONJJT-CABCVRRESA-N 2 1 306.425 3.072 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCN(C)c2ccccc2)CC1 ZINC000583690362 324385730 /nfs/dbraw/zinc/38/57/30/324385730.db2.gz OOBFJWFSMJGRJP-UHFFFAOYSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000556156350 500910333 /nfs/dbraw/zinc/91/03/33/500910333.db2.gz QYJBEJMUBSTGBY-YRWFTTLQSA-N 2 1 316.489 3.239 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000435447765 533777060 /nfs/dbraw/zinc/77/70/60/533777060.db2.gz REEPFHJRMPDHSR-GOEBONIOSA-N 2 1 308.441 3.087 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000442758304 533843854 /nfs/dbraw/zinc/84/38/54/533843854.db2.gz ADTDDKJCUQYXRO-NVXWUHKLSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309886839 533851059 /nfs/dbraw/zinc/85/10/59/533851059.db2.gz ZPBPVVRTZSXMJQ-LMMKCTJWSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309886839 533851063 /nfs/dbraw/zinc/85/10/63/533851063.db2.gz ZPBPVVRTZSXMJQ-LMMKCTJWSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309886840 533851477 /nfs/dbraw/zinc/85/14/77/533851477.db2.gz ZPBPVVRTZSXMJQ-ZHALLVOQSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309886840 533851489 /nfs/dbraw/zinc/85/14/89/533851489.db2.gz ZPBPVVRTZSXMJQ-ZHALLVOQSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000432410000 533848314 /nfs/dbraw/zinc/84/83/14/533848314.db2.gz KXNLILASIQWENA-SJORKVTESA-N 2 1 316.489 3.327 20 0 DGADMP C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442720145 534087461 /nfs/dbraw/zinc/08/74/61/534087461.db2.gz SJFXZPCESUMGLS-OWCLPIDISA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442720145 534087466 /nfs/dbraw/zinc/08/74/66/534087466.db2.gz SJFXZPCESUMGLS-OWCLPIDISA-N 2 1 311.473 3.345 20 0 DGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([NH3+])CC1 ZINC000430606820 534129643 /nfs/dbraw/zinc/12/96/43/534129643.db2.gz WLTQSLIORVSJRI-OAHLLOKOSA-N 2 1 323.440 3.423 20 0 DGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442781671 534133661 /nfs/dbraw/zinc/13/36/61/534133661.db2.gz OPMJJVPBBIMGGW-WOPDTQHZSA-N 2 1 320.824 3.120 20 0 DGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442781671 534133663 /nfs/dbraw/zinc/13/36/63/534133663.db2.gz OPMJJVPBBIMGGW-WOPDTQHZSA-N 2 1 320.824 3.120 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000305804562 534397688 /nfs/dbraw/zinc/39/76/88/534397688.db2.gz YQUXVRMRDSKQED-MJGOQNOKSA-N 2 1 320.452 3.030 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000154871283 522884293 /nfs/dbraw/zinc/88/42/93/522884293.db2.gz YIQWTGCXTLRJJR-RBUKOAKNSA-N 2 1 304.478 3.432 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1CCCCC1 ZINC000420364208 534675149 /nfs/dbraw/zinc/67/51/49/534675149.db2.gz JZYXEQQWQAFDAD-MRXNPFEDSA-N 2 1 323.868 3.166 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000429718935 534712284 /nfs/dbraw/zinc/71/22/84/534712284.db2.gz NNAKUGUWCZTPHM-UHFFFAOYSA-N 2 1 318.461 3.174 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916429 524911128 /nfs/dbraw/zinc/91/11/28/524911128.db2.gz OXBXNBMPVKECLD-UWVAXJGDSA-N 3 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916429 524911139 /nfs/dbraw/zinc/91/11/39/524911139.db2.gz OXBXNBMPVKECLD-UWVAXJGDSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916429 524911149 /nfs/dbraw/zinc/91/11/49/524911149.db2.gz OXBXNBMPVKECLD-UWVAXJGDSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916429 524911160 /nfs/dbraw/zinc/91/11/60/524911160.db2.gz OXBXNBMPVKECLD-UWVAXJGDSA-N 2 1 315.505 3.101 20 0 DGADMP CC(C)(C)[NH2+]CC[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000415077712 526332975 /nfs/dbraw/zinc/33/29/75/526332975.db2.gz HXHISHMUQWBOMQ-UHFFFAOYSA-N 2 1 324.896 3.366 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000415049786 526619751 /nfs/dbraw/zinc/61/97/51/526619751.db2.gz BGTRYNPXANEHCC-GOSISDBHSA-N 2 1 313.445 3.124 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000415049787 526697263 /nfs/dbraw/zinc/69/72/63/526697263.db2.gz BGTRYNPXANEHCC-SFHVURJKSA-N 2 1 313.445 3.124 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)n1 ZINC000431101424 527259264 /nfs/dbraw/zinc/25/92/64/527259264.db2.gz OMXOZABLPCOOTR-CQSZACIVSA-N 2 1 306.454 3.198 20 0 DGADMP CC(C)CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000429048121 527703382 /nfs/dbraw/zinc/70/33/82/527703382.db2.gz RDJOCYOUPFNJRX-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689293 527848550 /nfs/dbraw/zinc/84/85/50/527848550.db2.gz CKNPBPJGKQRHPZ-NVXWUHKLSA-N 2 1 316.445 3.130 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689293 527848554 /nfs/dbraw/zinc/84/85/54/527848554.db2.gz CKNPBPJGKQRHPZ-NVXWUHKLSA-N 2 1 316.445 3.130 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689293 527848558 /nfs/dbraw/zinc/84/85/58/527848558.db2.gz CKNPBPJGKQRHPZ-NVXWUHKLSA-N 2 1 316.445 3.130 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292689293 527848562 /nfs/dbraw/zinc/84/85/62/527848562.db2.gz CKNPBPJGKQRHPZ-NVXWUHKLSA-N 2 1 316.445 3.130 20 0 DGADMP CC(C)OC1CC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000428071297 527881046 /nfs/dbraw/zinc/88/10/46/527881046.db2.gz FSUAXOLPKNWINR-IVMQYODDSA-N 2 1 304.478 3.443 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000428921167 528055246 /nfs/dbraw/zinc/05/52/46/528055246.db2.gz NIUMHXWZBZPABG-UHFFFAOYSA-N 2 1 317.477 3.025 20 0 DGADMP CCC[N@@H+](Cc1cc2cc(OC)ccc2o1)C1CC[NH2+]CC1 ZINC000435370384 528132396 /nfs/dbraw/zinc/13/23/96/528132396.db2.gz INMCNQGRYOHDSH-UHFFFAOYSA-N 2 1 302.418 3.405 20 0 DGADMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OCC ZINC000415062506 528464191 /nfs/dbraw/zinc/46/41/91/528464191.db2.gz FMTSSYZMDUKYTH-MRXNPFEDSA-N 2 1 306.450 3.091 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000442718995 528465363 /nfs/dbraw/zinc/46/53/63/528465363.db2.gz PJUCACQBRBNRBM-MGPUTAFESA-N 2 1 311.473 3.345 20 0 DGADMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000444775250 528488757 /nfs/dbraw/zinc/48/87/57/528488757.db2.gz MKFGMKXJIDOFNY-GOSISDBHSA-N 2 1 321.465 3.170 20 0 DGADMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000444775250 528488759 /nfs/dbraw/zinc/48/87/59/528488759.db2.gz MKFGMKXJIDOFNY-GOSISDBHSA-N 2 1 321.465 3.170 20 0 DGADMP CCCCOCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434680120 528589160 /nfs/dbraw/zinc/58/91/60/528589160.db2.gz HHLLHBQYHGUSIS-UHFFFAOYSA-N 2 1 305.466 3.216 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000435435769 528660635 /nfs/dbraw/zinc/66/06/35/528660635.db2.gz CCNTXBIDFRJGFD-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056144 528667460 /nfs/dbraw/zinc/66/74/60/528667460.db2.gz ROGGHJHNUPQPLZ-GOEBONIOSA-N 2 1 307.507 3.306 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056144 528667466 /nfs/dbraw/zinc/66/74/66/528667466.db2.gz ROGGHJHNUPQPLZ-GOEBONIOSA-N 2 1 307.507 3.306 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442924120 528671295 /nfs/dbraw/zinc/67/12/95/528671295.db2.gz RMBOQLMGGNTNTL-INIZCTEOSA-N 2 1 320.477 3.435 20 0 DGADMP CC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435391065 528868746 /nfs/dbraw/zinc/86/87/46/528868746.db2.gz RJJGUOUJGBODJZ-CQSZACIVSA-N 2 1 316.474 3.169 20 0 DGADMP CC[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435391065 528868753 /nfs/dbraw/zinc/86/87/53/528868753.db2.gz RJJGUOUJGBODJZ-CQSZACIVSA-N 2 1 316.474 3.169 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432447170 528962083 /nfs/dbraw/zinc/96/20/83/528962083.db2.gz OIFCEVULMCSMLN-QUCCMNQESA-N 2 1 318.505 3.488 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432447170 528962085 /nfs/dbraw/zinc/96/20/85/528962085.db2.gz OIFCEVULMCSMLN-QUCCMNQESA-N 2 1 318.505 3.488 20 0 DGADMP CCc1cccc(Cl)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441376315 529171361 /nfs/dbraw/zinc/17/13/61/529171361.db2.gz DKEBJAHWNNAIBB-UHFFFAOYSA-N 2 1 323.912 3.018 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778894 529273958 /nfs/dbraw/zinc/27/39/58/529273958.db2.gz KNTAMIXDDPZUMK-HZPDHXFCSA-N 2 1 311.473 3.489 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778894 529273960 /nfs/dbraw/zinc/27/39/60/529273960.db2.gz KNTAMIXDDPZUMK-HZPDHXFCSA-N 2 1 311.473 3.489 20 0 DGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000430712454 529336054 /nfs/dbraw/zinc/33/60/54/529336054.db2.gz ZUXXWZISVQICDA-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+](C)C ZINC000493917212 535110630 /nfs/dbraw/zinc/11/06/30/535110630.db2.gz PSXRSFYLNQMPCH-BRSBDYLESA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482566338 535243035 /nfs/dbraw/zinc/24/30/35/535243035.db2.gz MMRBBBWRWWCGGL-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000470181511 535527042 /nfs/dbraw/zinc/52/70/42/535527042.db2.gz DGVGWHIFDUQZKU-WBVHZDCISA-N 2 1 322.468 3.334 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OCC)cn2)CC1 ZINC000088520736 545810271 /nfs/dbraw/zinc/81/02/71/545810271.db2.gz CZJLCWGXWVMPCS-UHFFFAOYSA-N 2 1 319.493 3.424 20 0 DGADMP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1noc(-c2ccccc2)n1 ZINC000124514061 545912462 /nfs/dbraw/zinc/91/24/62/545912462.db2.gz QYGQKXRHJJWMED-ZIAGYGMSSA-N 2 1 314.433 3.118 20 0 DGADMP c1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)onc1-c1ccccc1 ZINC000125294186 545917202 /nfs/dbraw/zinc/91/72/02/545917202.db2.gz IGUMPYSNKIOCNG-UHFFFAOYSA-N 2 1 320.396 3.059 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151344633 545992750 /nfs/dbraw/zinc/99/27/50/545992750.db2.gz DUSDOPIDQNPELC-UHFFFAOYSA-N 2 1 311.429 3.191 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159251375 546052368 /nfs/dbraw/zinc/05/23/68/546052368.db2.gz QYVCMJBHEVVJRN-YLJYHZDGSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCN1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159251375 546052372 /nfs/dbraw/zinc/05/23/72/546052372.db2.gz QYVCMJBHEVVJRN-YLJYHZDGSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(F)cc32)C[C@H](C)O1 ZINC000162858589 546079655 /nfs/dbraw/zinc/07/96/55/546079655.db2.gz LRPJXVYAJHVVGK-ZRGWGRIASA-N 2 1 320.452 3.292 20 0 DGADMP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000164564031 546089295 /nfs/dbraw/zinc/08/92/95/546089295.db2.gz RVFPEVRGHLJOQM-MAUKXSAKSA-N 2 1 317.477 3.373 20 0 DGADMP CCN(CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166144783 546094636 /nfs/dbraw/zinc/09/46/36/546094636.db2.gz QHEALNGFDBBTAQ-RCCFBDPRSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166144783 546094643 /nfs/dbraw/zinc/09/46/43/546094643.db2.gz QHEALNGFDBBTAQ-RCCFBDPRSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166144783 546094644 /nfs/dbraw/zinc/09/46/44/546094644.db2.gz QHEALNGFDBBTAQ-RCCFBDPRSA-N 2 1 321.534 3.347 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166531525 546096046 /nfs/dbraw/zinc/09/60/46/546096046.db2.gz FDMXEZRHKXUCRT-RTBURBONSA-N 2 1 316.489 3.480 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186634438 546195973 /nfs/dbraw/zinc/19/59/73/546195973.db2.gz OPDAMAYEALUDHB-SLFFLAALSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000220777274 546265886 /nfs/dbraw/zinc/26/58/86/546265886.db2.gz AVTOKJFFUZGXLI-AAEUAGOBSA-N 2 1 302.340 3.002 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000229033347 546270822 /nfs/dbraw/zinc/27/08/22/546270822.db2.gz ZVABCZVFADTKEE-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000229033347 546270825 /nfs/dbraw/zinc/27/08/25/546270825.db2.gz ZVABCZVFADTKEE-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236740093 546280795 /nfs/dbraw/zinc/28/07/95/546280795.db2.gz KEVSYNMCKXSPMD-YJBOKZPZSA-N 2 1 317.477 3.230 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248516176 546318383 /nfs/dbraw/zinc/31/83/83/546318383.db2.gz OPDAMAYEALUDHB-XUVXKRRUSA-N 2 1 316.489 3.302 20 0 DGADMP COCC[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271378578 546355514 /nfs/dbraw/zinc/35/55/14/546355514.db2.gz SNKOLXQDXMRDRF-MRXNPFEDSA-N 2 1 305.466 3.045 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccnn1-c1ccccc1 ZINC000281782840 546389911 /nfs/dbraw/zinc/38/99/11/546389911.db2.gz XIFLRIXCPSQRRS-JZXOWHBKSA-N 2 1 312.461 3.396 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ncc[nH]1 ZINC000285665764 546398879 /nfs/dbraw/zinc/39/88/79/546398879.db2.gz NAZJAJRKIPPAKG-MRXNPFEDSA-N 2 1 312.461 3.492 20 0 DGADMP Cc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000286446975 546404215 /nfs/dbraw/zinc/40/42/15/546404215.db2.gz SZPIQMQFIRDSGT-HXUWFJFHSA-N 2 1 322.456 3.196 20 0 DGADMP Cc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000286446975 546404218 /nfs/dbraw/zinc/40/42/18/546404218.db2.gz SZPIQMQFIRDSGT-HXUWFJFHSA-N 2 1 322.456 3.196 20 0 DGADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339067586 546531425 /nfs/dbraw/zinc/53/14/25/546531425.db2.gz MQKBOKNKWCJAMF-MSOLQXFVSA-N 2 1 302.437 3.464 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339066844 546531987 /nfs/dbraw/zinc/53/19/87/546531987.db2.gz IENBLYMYHOBIFG-FGTMMUONSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339066844 546531990 /nfs/dbraw/zinc/53/19/90/546531990.db2.gz IENBLYMYHOBIFG-FGTMMUONSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339066844 546531995 /nfs/dbraw/zinc/53/19/95/546531995.db2.gz IENBLYMYHOBIFG-FGTMMUONSA-N 2 1 307.526 3.103 20 0 DGADMP c1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069424 546532953 /nfs/dbraw/zinc/53/29/53/546532953.db2.gz VQAIOGIKNHAAPY-ZRNYENFQSA-N 2 1 314.473 3.371 20 0 DGADMP Fc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339072165 546533202 /nfs/dbraw/zinc/53/32/02/546533202.db2.gz UHFAIFXKUJZPTI-JENIJYKNSA-N 2 1 317.452 3.011 20 0 DGADMP c1csc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000339068689 546533787 /nfs/dbraw/zinc/53/37/87/546533787.db2.gz MFCLAENJTNTIAO-ULQDDVLXSA-N 2 1 319.518 3.101 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000343081651 546561095 /nfs/dbraw/zinc/56/10/95/546561095.db2.gz BHQAJHGCGZUUPK-QFBILLFUSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000345066995 546573811 /nfs/dbraw/zinc/57/38/11/546573811.db2.gz LWOGLCGZTSAUGU-VKSUQKOCSA-N 2 1 302.462 3.083 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H]3C3CC3)CC2)oc1C ZINC000348122758 546586333 /nfs/dbraw/zinc/58/63/33/546586333.db2.gz UFAVCOXFNHPONV-ROUUACIJSA-N 2 1 317.477 3.282 20 0 DGADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379620087 546735082 /nfs/dbraw/zinc/73/50/82/546735082.db2.gz COHPZEFJZVZCIU-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379620087 546735088 /nfs/dbraw/zinc/73/50/88/546735088.db2.gz COHPZEFJZVZCIU-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379620087 546735095 /nfs/dbraw/zinc/73/50/95/546735095.db2.gz COHPZEFJZVZCIU-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@@H+]1CC[C@H](NCc2ccc(Cl)c3cccnc23)C1 ZINC000389404740 546752155 /nfs/dbraw/zinc/75/21/55/546752155.db2.gz QLZLHIYBUJQROJ-AWEZNQCLSA-N 2 1 303.837 3.462 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390802140 546755987 /nfs/dbraw/zinc/75/59/87/546755987.db2.gz QKIGENPCFYYFIJ-ICSRJNTNSA-N 2 1 316.489 3.303 20 0 DGADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000414183959 546780975 /nfs/dbraw/zinc/78/09/75/546780975.db2.gz NNYNBEFJCGDKET-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000414183959 546780982 /nfs/dbraw/zinc/78/09/82/546780982.db2.gz NNYNBEFJCGDKET-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC000414183959 546780990 /nfs/dbraw/zinc/78/09/90/546780990.db2.gz NNYNBEFJCGDKET-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414183959 546780995 /nfs/dbraw/zinc/78/09/95/546780995.db2.gz NNYNBEFJCGDKET-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414183959 546780999 /nfs/dbraw/zinc/78/09/99/546780999.db2.gz NNYNBEFJCGDKET-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@H](C)O1 ZINC000414258075 546782780 /nfs/dbraw/zinc/78/27/80/546782780.db2.gz LORJWGLRYPKUSP-CGHHPOIWSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@H](C)O1 ZINC000414258075 546782785 /nfs/dbraw/zinc/78/27/85/546782785.db2.gz LORJWGLRYPKUSP-CGHHPOIWSA-N 2 1 302.462 3.225 20 0 DGADMP Cc1cc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000436438730 546822979 /nfs/dbraw/zinc/82/29/79/546822979.db2.gz YKJJFYXLTJDSMT-HOTGVXAUSA-N 2 1 310.445 3.193 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000453394254 546860025 /nfs/dbraw/zinc/86/00/25/546860025.db2.gz ZXGHOZXUFVJCRR-NEWSRXKRSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000453394254 546860026 /nfs/dbraw/zinc/86/00/26/546860026.db2.gz ZXGHOZXUFVJCRR-NEWSRXKRSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486980716 546915971 /nfs/dbraw/zinc/91/59/71/546915971.db2.gz OGCHJTFHTADLQY-ZIAGYGMSSA-N 2 1 307.507 3.478 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000517580685 546959581 /nfs/dbraw/zinc/95/95/81/546959581.db2.gz FHYBVXFYGYUJJS-XYJFISCASA-N 2 1 312.461 3.361 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000551198230 546996899 /nfs/dbraw/zinc/99/68/99/546996899.db2.gz WIGKMRXYRXBMRH-YTQUADARSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198230 546996903 /nfs/dbraw/zinc/99/69/03/546996903.db2.gz WIGKMRXYRXBMRH-YTQUADARSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198230 546996907 /nfs/dbraw/zinc/99/69/07/546996907.db2.gz WIGKMRXYRXBMRH-YTQUADARSA-N 2 1 303.494 3.140 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000667670982 547269177 /nfs/dbraw/zinc/26/91/77/547269177.db2.gz DQWJSLCLAMRPPE-HNNXBMFYSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000667670982 547269179 /nfs/dbraw/zinc/26/91/79/547269179.db2.gz DQWJSLCLAMRPPE-HNNXBMFYSA-N 2 1 308.491 3.202 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667677604 547271690 /nfs/dbraw/zinc/27/16/90/547271690.db2.gz WXKGWJUMMILGIO-CQSZACIVSA-N 2 1 303.475 3.460 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667677604 547271694 /nfs/dbraw/zinc/27/16/94/547271694.db2.gz WXKGWJUMMILGIO-CQSZACIVSA-N 2 1 303.475 3.460 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667677604 547271696 /nfs/dbraw/zinc/27/16/96/547271696.db2.gz WXKGWJUMMILGIO-CQSZACIVSA-N 2 1 303.475 3.460 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667677604 547271700 /nfs/dbraw/zinc/27/17/00/547271700.db2.gz WXKGWJUMMILGIO-CQSZACIVSA-N 2 1 303.475 3.460 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667819064 547311873 /nfs/dbraw/zinc/31/18/73/547311873.db2.gz KZXMICKCIVTOOB-YZGWKJHDSA-N 2 1 314.473 3.056 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CCCC2)CC1 ZINC000667869897 547324688 /nfs/dbraw/zinc/32/46/88/547324688.db2.gz JVIHJNYTAWEQOB-BPQIPLTHSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CO[C@@H](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000667892318 547328231 /nfs/dbraw/zinc/32/82/31/547328231.db2.gz MQWGKEWGTFTDRF-ATZDWAIDSA-N 2 1 302.462 3.054 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cnc3n2CCC3)c1 ZINC000667969545 547350512 /nfs/dbraw/zinc/35/05/12/547350512.db2.gz MYLOSXOZGDIYJD-KSSFIOAISA-N 2 1 311.429 3.421 20 0 DGADMP CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)c1 ZINC000668166617 547400442 /nfs/dbraw/zinc/40/04/42/547400442.db2.gz BTFNIOJIQLRIDA-UHFFFAOYSA-N 2 1 301.434 3.421 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)c1 ZINC000668166617 547400447 /nfs/dbraw/zinc/40/04/47/547400447.db2.gz BTFNIOJIQLRIDA-UHFFFAOYSA-N 2 1 301.434 3.421 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000668169424 547400894 /nfs/dbraw/zinc/40/08/94/547400894.db2.gz QOXKGAKITZIUKL-MRXNPFEDSA-N 2 1 308.491 3.058 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccncc3s2)C1 ZINC000668172346 547402386 /nfs/dbraw/zinc/40/23/86/547402386.db2.gz LSZQIDVGQIHSDF-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172346 547402391 /nfs/dbraw/zinc/40/23/91/547402391.db2.gz LSZQIDVGQIHSDF-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172346 547402395 /nfs/dbraw/zinc/40/23/95/547402395.db2.gz LSZQIDVGQIHSDF-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCC3CCCCC3)cc2)C1 ZINC000668490171 547467591 /nfs/dbraw/zinc/46/75/91/547467591.db2.gz SBZXKSUHIKFTHM-FQEVSTJZSA-N 2 1 316.489 3.313 20 0 DGADMP CC(C)[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785029 547541337 /nfs/dbraw/zinc/54/13/37/547541337.db2.gz LQJZFGCTBREAFX-PMACEKPBSA-N 2 1 318.505 3.469 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819853 547549489 /nfs/dbraw/zinc/54/94/89/547549489.db2.gz PZMXIDOXYJMTLR-CRAIPNDOSA-N 2 1 302.462 3.035 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000670154645 547730498 /nfs/dbraw/zinc/73/04/98/547730498.db2.gz CUQJSWVIQBOWOE-GOSISDBHSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269420 547742304 /nfs/dbraw/zinc/74/23/04/547742304.db2.gz CFDZKLCOVZBMCW-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269420 547742308 /nfs/dbraw/zinc/74/23/08/547742308.db2.gz CFDZKLCOVZBMCW-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269420 547742310 /nfs/dbraw/zinc/74/23/10/547742310.db2.gz CFDZKLCOVZBMCW-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269420 547742314 /nfs/dbraw/zinc/74/23/14/547742314.db2.gz CFDZKLCOVZBMCW-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739574 547820901 /nfs/dbraw/zinc/82/09/01/547820901.db2.gz CBMXSNOIBGYMRR-ZIAGYGMSSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739574 547820906 /nfs/dbraw/zinc/82/09/06/547820906.db2.gz CBMXSNOIBGYMRR-ZIAGYGMSSA-N 2 1 317.433 3.449 20 0 DGADMP CN1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000671742413 547821946 /nfs/dbraw/zinc/82/19/46/547821946.db2.gz IPGMUCITOMYNRT-GPJFCIFZSA-N 2 1 315.505 3.113 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000671753138 547827861 /nfs/dbraw/zinc/82/78/61/547827861.db2.gz ANWGREFYQTVKSB-VDHUWJSZSA-N 2 1 322.880 3.490 20 0 DGADMP C[NH+]1CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000674048243 548027300 /nfs/dbraw/zinc/02/73/00/548027300.db2.gz GPGRQWUWGNINOQ-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000675726377 548260255 /nfs/dbraw/zinc/26/02/55/548260255.db2.gz RROWETBDCDURSX-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2OC)[C@H](C)C1 ZINC000675787811 548272344 /nfs/dbraw/zinc/27/23/44/548272344.db2.gz BUKRJDVMRRSWIE-WBVHZDCISA-N 2 1 304.478 3.293 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000675809148 548277015 /nfs/dbraw/zinc/27/70/15/548277015.db2.gz ZWRIWEIYDUEAGK-YZGWKJHDSA-N 2 1 315.505 3.286 20 0 DGADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881196 548283185 /nfs/dbraw/zinc/28/31/85/548283185.db2.gz KKBUEBPKWIDUGR-BEFAXECRSA-N 2 1 318.436 3.046 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000675881711 548283212 /nfs/dbraw/zinc/28/32/12/548283212.db2.gz MSHASDCZTXDTHP-APWZRJJASA-N 2 1 302.462 3.289 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000675881786 548283257 /nfs/dbraw/zinc/28/32/57/548283257.db2.gz NHVWKCPMBBOEOI-PKOBYXMFSA-N 2 1 318.436 3.046 20 0 DGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881812 548283458 /nfs/dbraw/zinc/28/34/58/548283458.db2.gz NRKIBZXRXNJGSH-ABSDTBQOSA-N 2 1 316.489 3.412 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882597 548284640 /nfs/dbraw/zinc/28/46/40/548284640.db2.gz SJRPFRFLPJAGCT-PXNSSMCTSA-N 2 1 314.473 3.215 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000675982455 548300909 /nfs/dbraw/zinc/30/09/09/548300909.db2.gz AGZVEMKQLWHYOG-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000675982455 548300914 /nfs/dbraw/zinc/30/09/14/548300914.db2.gz AGZVEMKQLWHYOG-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000675982455 548300918 /nfs/dbraw/zinc/30/09/18/548300918.db2.gz AGZVEMKQLWHYOG-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677132457 548457508 /nfs/dbraw/zinc/45/75/08/548457508.db2.gz ZIZOXQKFVGSSNK-DIFFPNOSSA-N 2 1 305.372 3.383 20 0 DGADMP COCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)cc1C ZINC000677818171 548561549 /nfs/dbraw/zinc/56/15/49/548561549.db2.gz GVHCQDMMMMISPV-UHFFFAOYSA-N 2 1 315.461 3.347 20 0 DGADMP COCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)cc1C ZINC000677818171 548561552 /nfs/dbraw/zinc/56/15/52/548561552.db2.gz GVHCQDMMMMISPV-UHFFFAOYSA-N 2 1 315.461 3.347 20 0 DGADMP C[C@H]1CSCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678268341 548661806 /nfs/dbraw/zinc/66/18/06/548661806.db2.gz YGJFGYFVTMMFKB-INIZCTEOSA-N 2 1 320.502 3.099 20 0 DGADMP CC1=CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678270812 548663560 /nfs/dbraw/zinc/66/35/60/548663560.db2.gz KSIVMJZDUITLPB-UHFFFAOYSA-N 2 1 300.446 3.313 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOc3ccccc32)C[C@H]1C ZINC000678277083 548666591 /nfs/dbraw/zinc/66/65/91/548666591.db2.gz QCPYJDGXOWQZJC-IKGGRYGDSA-N 2 1 302.462 3.357 20 0 DGADMP FC(F)Oc1ccc2ccccc2c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678342741 548682908 /nfs/dbraw/zinc/68/29/08/548682908.db2.gz FYJDVFVGKLLMOI-ZIAGYGMSSA-N 2 1 318.367 3.092 20 0 DGADMP CCCN1CCC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000678775060 548762344 /nfs/dbraw/zinc/76/23/44/548762344.db2.gz YTHJNZOTWWKDAG-UHFFFAOYSA-N 2 1 321.553 3.494 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC000678929145 548794879 /nfs/dbraw/zinc/79/48/79/548794879.db2.gz ATQBZCRNQJAURT-XLIONFOSSA-N 2 1 318.505 3.476 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679368488 548887897 /nfs/dbraw/zinc/88/78/97/548887897.db2.gz JZUFZGMCBGQJNA-VKJFTORMSA-N 2 1 312.461 3.279 20 0 DGADMP Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000679395758 548893265 /nfs/dbraw/zinc/89/32/65/548893265.db2.gz ZEXBNLQPGJDSAV-MRXNPFEDSA-N 2 1 316.470 3.456 20 0 DGADMP Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000679395758 548893267 /nfs/dbraw/zinc/89/32/67/548893267.db2.gz ZEXBNLQPGJDSAV-MRXNPFEDSA-N 2 1 316.470 3.456 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395969 548893371 /nfs/dbraw/zinc/89/33/71/548893371.db2.gz KSKSDQXIJVKJJS-SJLPKXTDSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395969 548893374 /nfs/dbraw/zinc/89/33/74/548893374.db2.gz KSKSDQXIJVKJJS-SJLPKXTDSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679395969 548893377 /nfs/dbraw/zinc/89/33/77/548893377.db2.gz KSKSDQXIJVKJJS-SJLPKXTDSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000679395969 548893380 /nfs/dbraw/zinc/89/33/80/548893380.db2.gz KSKSDQXIJVKJJS-SJLPKXTDSA-N 2 1 302.462 3.479 20 0 DGADMP c1cn(CC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cn1 ZINC000679405681 548894587 /nfs/dbraw/zinc/89/45/87/548894587.db2.gz KSYIFNDGRWCFLL-UHFFFAOYSA-N 2 1 313.401 3.057 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109316 548998095 /nfs/dbraw/zinc/99/80/95/548998095.db2.gz ALVMWHZYWLVVFJ-WMZOPIPTSA-N 2 1 306.425 3.153 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109316 548998098 /nfs/dbraw/zinc/99/80/98/548998098.db2.gz ALVMWHZYWLVVFJ-WMZOPIPTSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109316 548998100 /nfs/dbraw/zinc/99/81/00/548998100.db2.gz ALVMWHZYWLVVFJ-WMZOPIPTSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109316 548998102 /nfs/dbraw/zinc/99/81/02/548998102.db2.gz ALVMWHZYWLVVFJ-WMZOPIPTSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1 ZINC000680335414 549031317 /nfs/dbraw/zinc/03/13/17/549031317.db2.gz YUCHSHDMENXYPL-KRWDZBQOSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681220110 549177063 /nfs/dbraw/zinc/17/70/63/549177063.db2.gz JPGXPWKHDACGGC-AABGKKOBSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681220110 549177067 /nfs/dbraw/zinc/17/70/67/549177067.db2.gz JPGXPWKHDACGGC-AABGKKOBSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1ncc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1 ZINC000681682285 549241708 /nfs/dbraw/zinc/24/17/08/549241708.db2.gz VNUUMJKCLCTKCI-OAHLLOKOSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073413 549284000 /nfs/dbraw/zinc/28/40/00/549284000.db2.gz BAVWOEHAKNLJCG-DOMZBBRYSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073413 549284009 /nfs/dbraw/zinc/28/40/09/549284009.db2.gz BAVWOEHAKNLJCG-DOMZBBRYSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073413 549284014 /nfs/dbraw/zinc/28/40/14/549284014.db2.gz BAVWOEHAKNLJCG-DOMZBBRYSA-N 2 1 316.367 3.357 20 0 DGADMP Cc1ncc([C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074037 549284284 /nfs/dbraw/zinc/28/42/84/549284284.db2.gz CKBSOLAZIFCYDS-GMBSWORKSA-N 2 1 314.477 3.103 20 0 DGADMP C[NH+](C)C1(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000682088597 549289702 /nfs/dbraw/zinc/28/97/02/549289702.db2.gz WTAZWICSUZWQMC-SFHVURJKSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+](C)C1(CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000682088597 549289706 /nfs/dbraw/zinc/28/97/06/549289706.db2.gz WTAZWICSUZWQMC-SFHVURJKSA-N 2 1 315.505 3.113 20 0 DGADMP C=Cn1cc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)cn1 ZINC000683703170 549522818 /nfs/dbraw/zinc/52/28/18/549522818.db2.gz KRBOPLMYOQLLOA-UHFFFAOYSA-N 2 1 316.493 3.318 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1C1CC1)C1CC[NH+](C)CC1 ZINC000685454796 549762390 /nfs/dbraw/zinc/76/23/90/549762390.db2.gz RZFPMVMEQASCEW-UHFFFAOYSA-N 2 1 315.505 3.022 20 0 DGADMP CC[N@@H+](Cc1ccncc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685451176 549762703 /nfs/dbraw/zinc/76/27/03/549762703.db2.gz YRIPWJUCMXORIY-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)CC1 ZINC000685462855 549765427 /nfs/dbraw/zinc/76/54/27/549765427.db2.gz UUMBOAUKSWRXRB-QZTJIDSGSA-N 2 1 314.473 3.216 20 0 DGADMP Cc1nc(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000685580201 549777990 /nfs/dbraw/zinc/77/79/90/549777990.db2.gz YZUPWFDOZKGHTJ-UHFFFAOYSA-N 2 1 314.433 3.204 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000685664687 549786819 /nfs/dbraw/zinc/78/68/19/549786819.db2.gz CKBLHGNQACINRQ-MTQWCTHYSA-N 2 1 316.489 3.302 20 0 DGADMP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733841943 574640306 /nfs/dbraw/zinc/64/03/06/574640306.db2.gz MZRRSVARJAIYJL-QZTJIDSGSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733841943 574640309 /nfs/dbraw/zinc/64/03/09/574640309.db2.gz MZRRSVARJAIYJL-QZTJIDSGSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733841943 574640311 /nfs/dbraw/zinc/64/03/11/574640311.db2.gz MZRRSVARJAIYJL-QZTJIDSGSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733841943 574640313 /nfs/dbraw/zinc/64/03/13/574640313.db2.gz MZRRSVARJAIYJL-QZTJIDSGSA-N 2 1 324.509 3.306 20 0 DGADMP CC(C)n1ccn(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1=S ZINC000738159357 574860271 /nfs/dbraw/zinc/86/02/71/574860271.db2.gz SAOLMTQHIKUMSP-CQSZACIVSA-N 2 1 305.451 3.091 20 0 DGADMP CC(C)n1ccn(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1=S ZINC000738159357 574860275 /nfs/dbraw/zinc/86/02/75/574860275.db2.gz SAOLMTQHIKUMSP-CQSZACIVSA-N 2 1 305.451 3.091 20 0 DGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000738312887 574865715 /nfs/dbraw/zinc/86/57/15/574865715.db2.gz XRZDXFLAIZOBQG-UHFFFAOYSA-N 2 1 310.869 3.383 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738881936 574885688 /nfs/dbraw/zinc/88/56/88/574885688.db2.gz LKXWOCUXZXYSDP-IHPCNDPISA-N 2 1 316.489 3.225 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738881936 574885689 /nfs/dbraw/zinc/88/56/89/574885689.db2.gz LKXWOCUXZXYSDP-IHPCNDPISA-N 2 1 316.489 3.225 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000743857319 575066490 /nfs/dbraw/zinc/06/64/90/575066490.db2.gz PPXLISUOLSRJFD-PMACEKPBSA-N 2 1 318.505 3.095 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000743857319 575066491 /nfs/dbraw/zinc/06/64/91/575066491.db2.gz PPXLISUOLSRJFD-PMACEKPBSA-N 2 1 318.505 3.095 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000729354565 575237924 /nfs/dbraw/zinc/23/79/24/575237924.db2.gz PZZOEWVHBWUHOS-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N(C)CCCn1cc[nH+]c1C ZINC000746715159 575471672 /nfs/dbraw/zinc/47/16/72/575471672.db2.gz ZLRGIYFTSOEGSG-UHFFFAOYSA-N 2 1 310.401 3.275 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cnc1Cl ZINC000853094057 620667970 /nfs/dbraw/zinc/66/79/70/620667970.db2.gz XDJVUSHMPYSJPT-OAHLLOKOSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cnc1Cl ZINC000853094057 620667971 /nfs/dbraw/zinc/66/79/71/620667971.db2.gz XDJVUSHMPYSJPT-OAHLLOKOSA-N 2 1 307.869 3.255 20 0 DGADMP c1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000853093768 620667847 /nfs/dbraw/zinc/66/78/47/620667847.db2.gz QZMBMBPBBFNNIE-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240253 620680901 /nfs/dbraw/zinc/68/09/01/620680901.db2.gz NTTVKWKFFJSRNQ-CJNGLKHVSA-N 2 1 305.466 3.318 20 0 DGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240253 620680903 /nfs/dbraw/zinc/68/09/03/620680903.db2.gz NTTVKWKFFJSRNQ-CJNGLKHVSA-N 2 1 305.466 3.318 20 0 DGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240254 620680934 /nfs/dbraw/zinc/68/09/34/620680934.db2.gz NTTVKWKFFJSRNQ-CZUORRHYSA-N 2 1 305.466 3.318 20 0 DGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240254 620680935 /nfs/dbraw/zinc/68/09/35/620680935.db2.gz NTTVKWKFFJSRNQ-CZUORRHYSA-N 2 1 305.466 3.318 20 0 DGADMP Cc1cc(CO)cc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000853424387 620693787 /nfs/dbraw/zinc/69/37/87/620693787.db2.gz OUOODUWOPFUFPI-UHFFFAOYSA-N 2 1 303.450 3.091 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853505773 620703350 /nfs/dbraw/zinc/70/33/50/620703350.db2.gz QTKFISXBFRYUFT-UHFFFAOYSA-N 2 1 324.900 3.425 20 0 DGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325380 617939816 /nfs/dbraw/zinc/93/98/16/617939816.db2.gz LRILKRPFFDGTJN-XUVXKRRUSA-N 2 1 318.505 3.428 20 0 DGADMP CSCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000892098597 617960689 /nfs/dbraw/zinc/96/06/89/617960689.db2.gz IWFLBMMYOLEYAP-SFHVURJKSA-N 2 1 304.503 3.467 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000892098597 617960691 /nfs/dbraw/zinc/96/06/91/617960691.db2.gz IWFLBMMYOLEYAP-SFHVURJKSA-N 2 1 304.503 3.467 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133758 617971408 /nfs/dbraw/zinc/97/14/08/617971408.db2.gz SFLVBJWXPSYIQR-KRWDZBQOSA-N 2 1 302.462 3.175 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133758 617971411 /nfs/dbraw/zinc/97/14/11/617971411.db2.gz SFLVBJWXPSYIQR-KRWDZBQOSA-N 2 1 302.462 3.175 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133758 617971414 /nfs/dbraw/zinc/97/14/14/617971414.db2.gz SFLVBJWXPSYIQR-KRWDZBQOSA-N 2 1 302.462 3.175 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133758 617971419 /nfs/dbraw/zinc/97/14/19/617971419.db2.gz SFLVBJWXPSYIQR-KRWDZBQOSA-N 2 1 302.462 3.175 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752592 618109558 /nfs/dbraw/zinc/10/95/58/618109558.db2.gz BDOCYCDCDKDEQW-SJLPKXTDSA-N 3 1 303.494 3.131 20 0 DGADMP C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752592 618109559 /nfs/dbraw/zinc/10/95/59/618109559.db2.gz BDOCYCDCDKDEQW-SJLPKXTDSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752592 618109560 /nfs/dbraw/zinc/10/95/60/618109560.db2.gz BDOCYCDCDKDEQW-SJLPKXTDSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000892583778 618112839 /nfs/dbraw/zinc/11/28/39/618112839.db2.gz DXZSJOFUXXXTOY-RBSFLKMASA-N 2 1 317.315 3.262 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892588709 618113816 /nfs/dbraw/zinc/11/38/16/618113816.db2.gz IPWPPWYBQKTTBD-GASCZTMLSA-N 2 1 320.506 3.244 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892589271 618114092 /nfs/dbraw/zinc/11/40/92/618114092.db2.gz NHRAUTJQEZBIHW-OKILXGFUSA-N 2 1 322.522 3.263 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892589271 618114095 /nfs/dbraw/zinc/11/40/95/618114095.db2.gz NHRAUTJQEZBIHW-OKILXGFUSA-N 2 1 322.522 3.263 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1F ZINC000854229336 620786212 /nfs/dbraw/zinc/78/62/12/620786212.db2.gz LOKPNTQKQNPDHQ-ATLSCFEFSA-N 2 1 320.452 3.304 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(CC(C)C)nc1 ZINC000894475891 618348759 /nfs/dbraw/zinc/34/87/59/618348759.db2.gz JBFKXBMFNZMMNH-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(CC(C)C)nc1 ZINC000894475891 618348764 /nfs/dbraw/zinc/34/87/64/618348764.db2.gz JBFKXBMFNZMMNH-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(CC(C)C)nc1 ZINC000894475891 618348774 /nfs/dbraw/zinc/34/87/74/618348774.db2.gz JBFKXBMFNZMMNH-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)C2)CC1 ZINC000894478831 618350756 /nfs/dbraw/zinc/35/07/56/618350756.db2.gz DWCXYNIOHBPVOT-AWEZNQCLSA-N 2 1 322.884 3.104 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCc3ccccc3)c2)CCO1 ZINC000920410276 620799777 /nfs/dbraw/zinc/79/97/77/620799777.db2.gz UXMVVJYMIQFJNG-GOSISDBHSA-N 2 1 324.468 3.240 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCc3ccccc3)c2)CCO1 ZINC000920410276 620799778 /nfs/dbraw/zinc/79/97/78/620799778.db2.gz UXMVVJYMIQFJNG-GOSISDBHSA-N 2 1 324.468 3.240 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000893020980 618394584 /nfs/dbraw/zinc/39/45/84/618394584.db2.gz RMZCQRRDRHMQJA-FUHWJXTLSA-N 3 1 321.534 3.062 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000893020980 618394589 /nfs/dbraw/zinc/39/45/89/618394589.db2.gz RMZCQRRDRHMQJA-FUHWJXTLSA-N 3 1 321.534 3.062 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000893028590 618396728 /nfs/dbraw/zinc/39/67/28/618396728.db2.gz HANBZQFJIRJXQJ-UHFFFAOYSA-N 2 1 300.450 3.355 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[C@H](C)C1 ZINC000925078430 618430280 /nfs/dbraw/zinc/43/02/80/618430280.db2.gz MCDPSHGGTJPPEA-LFDJNIOPSA-N 2 1 306.494 3.068 20 0 DGADMP COc1cc(C)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC ZINC000894748205 618443732 /nfs/dbraw/zinc/44/37/32/618443732.db2.gz JHQRUWUHNHGSKJ-SJPCQFCGSA-N 2 1 318.461 3.069 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894767126 618452510 /nfs/dbraw/zinc/45/25/10/618452510.db2.gz SWIVAFSOZCCMOQ-CYBMUJFWSA-N 2 1 304.459 3.427 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925517823 618454279 /nfs/dbraw/zinc/45/42/79/618454279.db2.gz CFBFZPNWOINNHB-GOSISDBHSA-N 3 1 300.450 3.042 20 0 DGADMP c1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925566979 618495411 /nfs/dbraw/zinc/49/54/11/618495411.db2.gz ICVSXYFAMYLBPU-BZSNNMDCSA-N 2 1 300.446 3.029 20 0 DGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000893328596 618516802 /nfs/dbraw/zinc/51/68/02/618516802.db2.gz ZSOOSEFZWUUOCY-UHFFFAOYSA-N 2 1 302.418 3.418 20 0 DGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC000893328596 618516805 /nfs/dbraw/zinc/51/68/05/618516805.db2.gz ZSOOSEFZWUUOCY-UHFFFAOYSA-N 2 1 302.418 3.418 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925719359 618548993 /nfs/dbraw/zinc/54/89/93/618548993.db2.gz SOCPQBNVRGBXBD-QGZVFWFLSA-N 2 1 301.409 3.032 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487708 618570071 /nfs/dbraw/zinc/57/00/71/618570071.db2.gz LNXNSROYPKOVBO-HIFRSBDPSA-N 2 1 306.425 3.274 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487207 618570438 /nfs/dbraw/zinc/57/04/38/618570438.db2.gz HYBIYTOYUFATPA-HOCLYGCPSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487207 618570442 /nfs/dbraw/zinc/57/04/42/618570442.db2.gz HYBIYTOYUFATPA-HOCLYGCPSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@@H]([NH2+]Cc1cn2ccnc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487756 618571080 /nfs/dbraw/zinc/57/10/80/618571080.db2.gz MRFJMCGPZARZHR-KGLIPLIRSA-N 2 1 318.490 3.138 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)[NH+](C)C ZINC000895291886 618588618 /nfs/dbraw/zinc/58/86/18/618588618.db2.gz IYUGKRSNDHYRAN-CQSZACIVSA-N 2 1 317.408 3.443 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)[NH+](C)C ZINC000895299962 618590662 /nfs/dbraw/zinc/59/06/62/618590662.db2.gz PHWDGICNUAGLTO-LBPRGKRZSA-N 2 1 304.356 3.058 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925797586 618621843 /nfs/dbraw/zinc/62/18/43/618621843.db2.gz PBJOMMUCVKEONX-MSOLQXFVSA-N 2 1 302.462 3.132 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccccc1 ZINC000925845756 618644858 /nfs/dbraw/zinc/64/48/58/618644858.db2.gz QKAWAHUCFGBVLO-LJQANCHMSA-N 2 1 303.494 3.049 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)c2sccc21 ZINC000925848062 618645815 /nfs/dbraw/zinc/64/58/15/618645815.db2.gz ZIXTVSOUHBVPIO-DOTOQJQBSA-N 2 1 321.534 3.352 20 0 DGADMP Cc1[nH+]ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Br ZINC000893832121 618664262 /nfs/dbraw/zinc/66/42/62/618664262.db2.gz BUBIMDRDXZARLV-FUNVUKJBSA-N 2 1 324.266 3.214 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCCC34CC[NH+](C)CC4)ccc2O1 ZINC000893858211 618666882 /nfs/dbraw/zinc/66/68/82/618666882.db2.gz QXVOCKKNMFFFLM-OAHLLOKOSA-N 2 1 300.446 3.070 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050817 618700036 /nfs/dbraw/zinc/70/00/36/618700036.db2.gz UPASIDSCSBDJHE-WBVHZDCISA-N 2 1 320.477 3.174 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050817 618700038 /nfs/dbraw/zinc/70/00/38/618700038.db2.gz UPASIDSCSBDJHE-WBVHZDCISA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050817 618700039 /nfs/dbraw/zinc/70/00/39/618700039.db2.gz UPASIDSCSBDJHE-WBVHZDCISA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050817 618700040 /nfs/dbraw/zinc/70/00/40/618700040.db2.gz UPASIDSCSBDJHE-WBVHZDCISA-N 2 1 320.477 3.174 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086602 618705900 /nfs/dbraw/zinc/70/59/00/618705900.db2.gz JTHLNQJLNPYVDA-CYBMUJFWSA-N 2 1 304.459 3.381 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086602 618705901 /nfs/dbraw/zinc/70/59/01/618705901.db2.gz JTHLNQJLNPYVDA-CYBMUJFWSA-N 2 1 304.459 3.381 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086602 618705904 /nfs/dbraw/zinc/70/59/04/618705904.db2.gz JTHLNQJLNPYVDA-CYBMUJFWSA-N 2 1 304.459 3.381 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894086602 618705906 /nfs/dbraw/zinc/70/59/06/618705906.db2.gz JTHLNQJLNPYVDA-CYBMUJFWSA-N 2 1 304.459 3.381 20 0 DGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccccc1 ZINC000894144408 618720104 /nfs/dbraw/zinc/72/01/04/618720104.db2.gz ULTNDMIHPNYMQS-JEQQUTEPSA-N 2 1 302.462 3.104 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nccc4c3CCCC4)C2)CC1 ZINC000894231787 618734912 /nfs/dbraw/zinc/73/49/12/618734912.db2.gz UIOUOMOYGWUBSO-UHFFFAOYSA-N 2 1 313.489 3.268 20 0 DGADMP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2c[nH]cn2)CC1 ZINC000894233715 618735409 /nfs/dbraw/zinc/73/54/09/618735409.db2.gz LKJIPJRIGSWFNY-UHFFFAOYSA-N 2 1 318.852 3.065 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894241922 618737412 /nfs/dbraw/zinc/73/74/12/618737412.db2.gz PDUJLPHDCXWZTP-INIZCTEOSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937697 618744665 /nfs/dbraw/zinc/74/46/65/618744665.db2.gz FRDCQZUFRMJEBN-NVXWUHKLSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937697 618744667 /nfs/dbraw/zinc/74/46/67/618744667.db2.gz FRDCQZUFRMJEBN-NVXWUHKLSA-N 2 1 315.486 3.358 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2C(C)C)c1 ZINC000924956646 618748896 /nfs/dbraw/zinc/74/88/96/618748896.db2.gz AOGJZGUSZKXJGW-OALUTQOASA-N 2 1 304.478 3.289 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C(C)C)c1 ZINC000924956647 618748914 /nfs/dbraw/zinc/74/89/14/618748914.db2.gz AOGJZGUSZKXJGW-RBUKOAKNSA-N 2 1 304.478 3.289 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000924958385 618749645 /nfs/dbraw/zinc/74/96/45/618749645.db2.gz JSLCSQNPXREASY-UXHICEINSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000924959047 618749900 /nfs/dbraw/zinc/74/99/00/618749900.db2.gz RSNOZFKEZHDNQN-OHSMVPPVSA-N 2 1 315.505 3.112 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895380492 618776103 /nfs/dbraw/zinc/77/61/03/618776103.db2.gz YVNTXIVEHWFRHU-DNVCBOLYSA-N 2 1 317.477 3.197 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000895442535 618785274 /nfs/dbraw/zinc/78/52/74/618785274.db2.gz BCQMZZAUEGIJTC-UHFFFAOYSA-N 2 1 301.478 3.351 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462241 618787692 /nfs/dbraw/zinc/78/76/92/618787692.db2.gz VRCPQSPFXFSRDO-SWLSCSKDSA-N 2 1 302.443 3.133 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462241 618787693 /nfs/dbraw/zinc/78/76/93/618787693.db2.gz VRCPQSPFXFSRDO-SWLSCSKDSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462241 618787694 /nfs/dbraw/zinc/78/76/94/618787694.db2.gz VRCPQSPFXFSRDO-SWLSCSKDSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462241 618787696 /nfs/dbraw/zinc/78/76/96/618787696.db2.gz VRCPQSPFXFSRDO-SWLSCSKDSA-N 2 1 302.443 3.133 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479938 618790168 /nfs/dbraw/zinc/79/01/68/618790168.db2.gz YBBWYOALAVWUOJ-SFHVURJKSA-N 2 1 318.509 3.292 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479938 618790170 /nfs/dbraw/zinc/79/01/70/618790170.db2.gz YBBWYOALAVWUOJ-SFHVURJKSA-N 2 1 318.509 3.292 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2n[nH]cc21 ZINC000895683616 618818424 /nfs/dbraw/zinc/81/84/24/618818424.db2.gz OZWCTLFHMFDDIL-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(C(C)(C)C)nc1 ZINC000895683847 618818458 /nfs/dbraw/zinc/81/84/58/618818458.db2.gz VIBUPVAQYHRALZ-UHFFFAOYSA-N 2 1 318.509 3.472 20 0 DGADMP CCOc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccc1O ZINC000895683223 618818549 /nfs/dbraw/zinc/81/85/49/618818549.db2.gz JOXCLIUDLAYPJU-UHFFFAOYSA-N 2 1 320.477 3.489 20 0 DGADMP COC1CCC(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CC1 ZINC000895866409 618843915 /nfs/dbraw/zinc/84/39/15/618843915.db2.gz LDCIFKLGXLHGLP-UHFFFAOYSA-N 2 1 310.526 3.491 20 0 DGADMP C[NH+](C)CC[C@H](Nc1cc[nH+]c2ccsc21)c1cccnc1 ZINC000895892426 618846482 /nfs/dbraw/zinc/84/64/82/618846482.db2.gz XYYDBSLDUOJBLW-AWEZNQCLSA-N 2 1 312.442 3.218 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925133092 618904403 /nfs/dbraw/zinc/90/44/03/618904403.db2.gz BMZHRVVLJVDCQK-BBZRVKOSSA-N 2 1 322.518 3.392 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925133092 618904405 /nfs/dbraw/zinc/90/44/05/618904405.db2.gz BMZHRVVLJVDCQK-BBZRVKOSSA-N 2 1 322.518 3.392 20 0 DGADMP Fc1ccc2c(NC[C@H]3CC[N@@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896518925 618924393 /nfs/dbraw/zinc/92/43/93/618924393.db2.gz RZFFPECSGPNNMU-OAHLLOKOSA-N 2 1 315.392 3.039 20 0 DGADMP Fc1ccc2c(NC[C@H]3CC[N@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896518925 618924395 /nfs/dbraw/zinc/92/43/95/618924395.db2.gz RZFFPECSGPNNMU-OAHLLOKOSA-N 2 1 315.392 3.039 20 0 DGADMP CC[C@H](O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925282167 619134777 /nfs/dbraw/zinc/13/47/77/619134777.db2.gz OFMLGCRENDEUJY-NXEWRWPSSA-N 2 1 316.489 3.323 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)C[C@]2(C)C1 ZINC000897621836 619167595 /nfs/dbraw/zinc/16/75/95/619167595.db2.gz WCFBFPROFHVKMC-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)C[C@]2(C)C1 ZINC000897621836 619167598 /nfs/dbraw/zinc/16/75/98/619167598.db2.gz WCFBFPROFHVKMC-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)C[C@]2(C)C1 ZINC000897621836 619167600 /nfs/dbraw/zinc/16/76/00/619167600.db2.gz WCFBFPROFHVKMC-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000897969989 619196168 /nfs/dbraw/zinc/19/61/68/619196168.db2.gz QFNHNHSWRZHNPU-GOSISDBHSA-N 2 1 323.484 3.309 20 0 DGADMP OCCC1CC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000898014507 619205654 /nfs/dbraw/zinc/20/56/54/619205654.db2.gz CVKRPTPUFAGTRZ-ZXQWHALDSA-N 2 1 314.473 3.105 20 0 DGADMP OCCC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000898014507 619205658 /nfs/dbraw/zinc/20/56/58/619205658.db2.gz CVKRPTPUFAGTRZ-ZXQWHALDSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181849 619223800 /nfs/dbraw/zinc/22/38/00/619223800.db2.gz PFPKBPBLEULUNS-WMLDXEAASA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181849 619223803 /nfs/dbraw/zinc/22/38/03/619223803.db2.gz PFPKBPBLEULUNS-WMLDXEAASA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181849 619223804 /nfs/dbraw/zinc/22/38/04/619223804.db2.gz PFPKBPBLEULUNS-WMLDXEAASA-N 2 1 304.482 3.207 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181849 619223805 /nfs/dbraw/zinc/22/38/05/619223805.db2.gz PFPKBPBLEULUNS-WMLDXEAASA-N 2 1 304.482 3.207 20 0 DGADMP Cn1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c(-c2ccccc2)n1 ZINC000898307428 619236038 /nfs/dbraw/zinc/23/60/38/619236038.db2.gz BVJABFGDFHKUED-UHFFFAOYSA-N 2 1 314.477 3.107 20 0 DGADMP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c(-c2ccccc2)n1 ZINC000898307428 619236039 /nfs/dbraw/zinc/23/60/39/619236039.db2.gz BVJABFGDFHKUED-UHFFFAOYSA-N 2 1 314.477 3.107 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCC1 ZINC000841052041 619248490 /nfs/dbraw/zinc/24/84/90/619248490.db2.gz TUQDMASHHXVIBV-UHFFFAOYSA-N 2 1 314.404 3.376 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)C1 ZINC000926974131 619254406 /nfs/dbraw/zinc/25/44/06/619254406.db2.gz DIXGVFUXHFVARG-PQEBFOHHSA-N 2 1 308.416 3.355 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927020890 619257524 /nfs/dbraw/zinc/25/75/24/619257524.db2.gz ZVWACXXKYAMSSX-WDSOQIARSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924688981 619258045 /nfs/dbraw/zinc/25/80/45/619258045.db2.gz VXLLPPXSYHRDLP-QYZOEREBSA-N 3 1 307.526 3.248 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924693629 619258317 /nfs/dbraw/zinc/25/83/17/619258317.db2.gz FACJCWNKDOLYJT-QRVBRYPASA-N 2 1 308.510 3.292 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCOCC4)C[C@@H]3C2)cc1 ZINC000898522009 619284017 /nfs/dbraw/zinc/28/40/17/619284017.db2.gz IAUXPBZXYBXPGR-NSHGMRRFSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000898523131 619284134 /nfs/dbraw/zinc/28/41/34/619284134.db2.gz ZSZVFBVKAPLJPF-NMLBUPMWSA-N 2 1 314.473 3.056 20 0 DGADMP CC[NH+](CC)CCOc1cccc(NCc2c[nH+]c(C)n2C)c1 ZINC000898703250 619291269 /nfs/dbraw/zinc/29/12/69/619291269.db2.gz JFVDUJSPQMYEFG-UHFFFAOYSA-N 2 1 316.449 3.061 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902516111 619647933 /nfs/dbraw/zinc/64/79/33/619647933.db2.gz BLVNLZQALXHAKQ-GRLGQGAKSA-N 3 1 315.505 3.003 20 0 DGADMP CCNc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000902621350 619659101 /nfs/dbraw/zinc/65/91/01/619659101.db2.gz GFMRKRKEQGSLET-KRWDZBQOSA-N 2 1 301.478 3.330 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754208 619670748 /nfs/dbraw/zinc/67/07/48/619670748.db2.gz YMYUFYWRNUZULG-NWDGAFQWSA-N 2 1 301.356 3.093 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754208 619670749 /nfs/dbraw/zinc/67/07/49/619670749.db2.gz YMYUFYWRNUZULG-NWDGAFQWSA-N 2 1 301.356 3.093 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902761125 619671903 /nfs/dbraw/zinc/67/19/03/619671903.db2.gz KPYPLOPIJFCHJB-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902794507 619677897 /nfs/dbraw/zinc/67/78/97/619677897.db2.gz WXOGUMSZFKHILB-CENDIDJXSA-N 2 1 314.473 3.041 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902794508 619677903 /nfs/dbraw/zinc/67/79/03/619677903.db2.gz WXOGUMSZFKHILB-WKWVNEEDSA-N 2 1 314.473 3.041 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799618 619678616 /nfs/dbraw/zinc/67/86/16/619678616.db2.gz GGVDDEKALUHNHY-LOXVXLSQSA-N 2 1 320.521 3.290 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799618 619678618 /nfs/dbraw/zinc/67/86/18/619678618.db2.gz GGVDDEKALUHNHY-LOXVXLSQSA-N 2 1 320.521 3.290 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCOC13CCCC3)C2 ZINC000903061849 619708720 /nfs/dbraw/zinc/70/87/20/619708720.db2.gz LEHXAQINBWSBNI-LJQANCHMSA-N 2 1 314.473 3.126 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCOC13CCCC3)C2 ZINC000903061849 619708721 /nfs/dbraw/zinc/70/87/21/619708721.db2.gz LEHXAQINBWSBNI-LJQANCHMSA-N 2 1 314.473 3.126 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903067625 619709997 /nfs/dbraw/zinc/70/99/97/619709997.db2.gz RPNJICVUSAJPOC-XGSMCBPESA-N 2 1 322.456 3.120 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903067625 619710001 /nfs/dbraw/zinc/71/00/01/619710001.db2.gz RPNJICVUSAJPOC-XGSMCBPESA-N 2 1 322.456 3.120 20 0 DGADMP C[C@H]1CCCC[C@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074922 619711390 /nfs/dbraw/zinc/71/13/90/619711390.db2.gz PTXRPWUXYIFWBE-HUUCDWIBSA-N 2 1 306.494 3.329 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000903087451 619713913 /nfs/dbraw/zinc/71/39/13/619713913.db2.gz UUESEZTYZVLRBM-BHYGNILZSA-N 2 1 308.491 3.117 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000903087451 619713914 /nfs/dbraw/zinc/71/39/14/619713914.db2.gz UUESEZTYZVLRBM-BHYGNILZSA-N 2 1 308.491 3.117 20 0 DGADMP CC1CC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903068526 619714470 /nfs/dbraw/zinc/71/44/70/619714470.db2.gz HBDGCZWYRRDXOE-CTXDPNEZSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903070035 619714969 /nfs/dbraw/zinc/71/49/69/619714969.db2.gz OCMOIMVFPJIPGL-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903096757 619719577 /nfs/dbraw/zinc/71/95/77/619719577.db2.gz KFHNBGUOBZFYQQ-PNFOFYCQSA-N 2 1 302.466 3.272 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903096757 619719580 /nfs/dbraw/zinc/71/95/80/619719580.db2.gz KFHNBGUOBZFYQQ-PNFOFYCQSA-N 2 1 302.466 3.272 20 0 DGADMP C[C@@](O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903153192 619725911 /nfs/dbraw/zinc/72/59/11/619725911.db2.gz LWMAJNVPZUJULY-ZNBHLAFESA-N 2 1 314.473 3.032 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCOC34CCCC4)C2)cc1 ZINC000903166418 619727647 /nfs/dbraw/zinc/72/76/47/619727647.db2.gz XGVRJGIPGLEZMU-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151680 619729529 /nfs/dbraw/zinc/72/95/29/619729529.db2.gz HOVHDQBXICDDPG-WLFXSESQSA-N 2 1 306.494 3.328 20 0 DGADMP Cc1ccc([C@@H](O)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903169508 619732721 /nfs/dbraw/zinc/73/27/21/619732721.db2.gz BPCCURZHWYPAQK-PXWCZTGZSA-N 2 1 314.473 3.164 20 0 DGADMP Cc1cccc2c1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CO2 ZINC000903206292 619738421 /nfs/dbraw/zinc/73/84/21/619738421.db2.gz QVCLZOHVDPZYCR-PDOIAVGCSA-N 2 1 312.457 3.046 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208068 619738755 /nfs/dbraw/zinc/73/87/55/619738755.db2.gz YRHGRGIXKWIXKJ-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208068 619738756 /nfs/dbraw/zinc/73/87/56/619738756.db2.gz YRHGRGIXKWIXKJ-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000903264272 619747421 /nfs/dbraw/zinc/74/74/21/619747421.db2.gz HAFMUEFZLCWIND-QLIIJSOBSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000903264272 619747423 /nfs/dbraw/zinc/74/74/23/619747423.db2.gz HAFMUEFZLCWIND-QLIIJSOBSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903266147 619748769 /nfs/dbraw/zinc/74/87/69/619748769.db2.gz UDDPLWFNJRYHMR-XLNTUCKNSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000903299771 619753350 /nfs/dbraw/zinc/75/33/50/619753350.db2.gz DOTQDRQCYCTZGK-WQUXRXDGSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1COC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000903393503 619767066 /nfs/dbraw/zinc/76/70/66/619767066.db2.gz OBRBUDPWNWCWRC-GWFLUQINSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000903433083 619774846 /nfs/dbraw/zinc/77/48/46/619774846.db2.gz UAWKBMJVQZQKBM-WBVHZDCISA-N 2 1 313.445 3.062 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000903441501 619775801 /nfs/dbraw/zinc/77/58/01/619775801.db2.gz VKXLQXODJHIAPD-NBYUQASBSA-N 2 1 316.489 3.482 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1F ZINC000903460877 619776755 /nfs/dbraw/zinc/77/67/55/619776755.db2.gz KOIIUWLXTFVXGL-KBRIMQKVSA-N 2 1 324.415 3.134 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000903460400 619776999 /nfs/dbraw/zinc/77/69/99/619776999.db2.gz ALTFGDFJYCGFAU-NEWSRXKRSA-N 2 1 313.445 3.029 20 0 DGADMP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457730 619777035 /nfs/dbraw/zinc/77/70/35/619777035.db2.gz ZUAYFRWFBSUPKJ-RMHZUWNSSA-N 2 1 308.853 3.229 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1F ZINC000903460876 619777049 /nfs/dbraw/zinc/77/70/49/619777049.db2.gz KOIIUWLXTFVXGL-IAOVAPTHSA-N 2 1 324.415 3.134 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903476194 619780191 /nfs/dbraw/zinc/78/01/91/619780191.db2.gz QBGJGYCCZYSZEY-IKGGRYGDSA-N 2 1 302.462 3.392 20 0 DGADMP COc1cccc(SCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903481558 619780712 /nfs/dbraw/zinc/78/07/12/619780712.db2.gz GBELYNFMEKHKEN-INIZCTEOSA-N 2 1 306.475 3.052 20 0 DGADMP COc1cccc(SCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903481559 619780727 /nfs/dbraw/zinc/78/07/27/619780727.db2.gz GBELYNFMEKHKEN-MRXNPFEDSA-N 2 1 306.475 3.052 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@H]1CC[NH3+] ZINC000903499786 619781569 /nfs/dbraw/zinc/78/15/69/619781569.db2.gz NYHKCLPWLMQQHR-HZPDHXFCSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496959 619782403 /nfs/dbraw/zinc/78/24/03/619782403.db2.gz LCJQRLUCCOXDHT-JHJVBQTASA-N 2 1 322.403 3.409 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1CC[NH3+] ZINC000903496119 619782429 /nfs/dbraw/zinc/78/24/29/619782429.db2.gz GNTXGTZGBTWSAX-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903565683 619783501 /nfs/dbraw/zinc/78/35/01/619783501.db2.gz BJCPSTVFKOIHRN-NILFDRSVSA-N 2 1 324.266 3.108 20 0 DGADMP CC(C)C[N@@H+](Cc1ccccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000903575033 619784302 /nfs/dbraw/zinc/78/43/02/619784302.db2.gz CULLEEJXLRHKPN-UHFFFAOYSA-N 2 1 309.457 3.386 20 0 DGADMP C[N@@H+](CCCCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722016 619803586 /nfs/dbraw/zinc/80/35/86/619803586.db2.gz HBBUGMZZNWSHFL-LJQANCHMSA-N 2 1 316.489 3.100 20 0 DGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722495 619803869 /nfs/dbraw/zinc/80/38/69/619803869.db2.gz BKSALLSSTVRMOU-DLBZAZTESA-N 2 1 302.462 3.147 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723893 619804020 /nfs/dbraw/zinc/80/40/20/619804020.db2.gz JGUKPYOPNPRIIY-GJZGRUSLSA-N 2 1 322.880 3.492 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)cc1OC ZINC000903724634 619804152 /nfs/dbraw/zinc/80/41/52/619804152.db2.gz OTIMPLAUCPYPER-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724638 619804207 /nfs/dbraw/zinc/80/42/07/619804207.db2.gz OUVLXEWLSWDRAJ-SQNIBIBYSA-N 2 1 320.864 3.246 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722863 619804518 /nfs/dbraw/zinc/80/45/18/619804518.db2.gz DWAFHIQRJIBPOD-YOEHRIQHSA-N 2 1 322.880 3.492 20 0 DGADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903733174 619805446 /nfs/dbraw/zinc/80/54/46/619805446.db2.gz ISKTXNZHXLJWEC-HKUYNNGSSA-N 2 1 316.489 3.017 20 0 DGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903733059 619806511 /nfs/dbraw/zinc/80/65/11/619806511.db2.gz IRJCHQYYRJGTLT-RDJZCZTQSA-N 2 1 318.436 3.110 20 0 DGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903733059 619806514 /nfs/dbraw/zinc/80/65/14/619806514.db2.gz IRJCHQYYRJGTLT-RDJZCZTQSA-N 2 1 318.436 3.110 20 0 DGADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903734688 619807867 /nfs/dbraw/zinc/80/78/67/619807867.db2.gz VBTSDFCMNPJYKC-CEXWTWQISA-N 2 1 318.436 3.121 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@@H]1CCC[NH3+] ZINC000903766380 619809684 /nfs/dbraw/zinc/80/96/84/619809684.db2.gz PVZKDWLTLAFYOJ-BARDWOONSA-N 2 1 322.415 3.326 20 0 DGADMP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767597 619810231 /nfs/dbraw/zinc/81/02/31/619810231.db2.gz IQCWDZOJXPWORP-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903755549 619810621 /nfs/dbraw/zinc/81/06/21/619810621.db2.gz JFEZUSRGGIOIEZ-HOJAQTOUSA-N 2 1 314.473 3.209 20 0 DGADMP CO[C@@H](C)c1nc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cs1 ZINC000903790359 619811111 /nfs/dbraw/zinc/81/11/11/619811111.db2.gz DIZYIXJWQCGRPX-LBPRGKRZSA-N 2 1 311.495 3.047 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903780869 619812340 /nfs/dbraw/zinc/81/23/40/619812340.db2.gz MVFCHRJFBLJYCD-LSDHHAIUSA-N 2 1 318.461 3.013 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903780869 619812341 /nfs/dbraw/zinc/81/23/41/619812341.db2.gz MVFCHRJFBLJYCD-LSDHHAIUSA-N 2 1 318.461 3.013 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCSC[C@H]1C1CC1)C[NH2+]CC2 ZINC000903827250 619820115 /nfs/dbraw/zinc/82/01/15/619820115.db2.gz QUXPZQIUNZVOMW-SFHVURJKSA-N 2 1 302.487 3.050 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000903843641 619822842 /nfs/dbraw/zinc/82/28/42/619822842.db2.gz OXEHDFMWXMNSLG-XIRDDKMYSA-N 2 1 309.413 3.186 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000903847982 619823455 /nfs/dbraw/zinc/82/34/55/619823455.db2.gz NEZMNXJSWNLWSP-GLQYFDAESA-N 2 1 301.821 3.200 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000903847982 619823457 /nfs/dbraw/zinc/82/34/57/619823457.db2.gz NEZMNXJSWNLWSP-GLQYFDAESA-N 2 1 301.821 3.200 20 0 DGADMP Fc1cccc(CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000903891468 619826946 /nfs/dbraw/zinc/82/69/46/619826946.db2.gz AQELFHBZTVNFPU-ZNXRZULTSA-N 2 1 302.437 3.363 20 0 DGADMP C(C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903875533 619827294 /nfs/dbraw/zinc/82/72/94/619827294.db2.gz QAOGSBFLGNKZFF-TZOQOTQKSA-N 2 1 306.494 3.046 20 0 DGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903879631 619827944 /nfs/dbraw/zinc/82/79/44/619827944.db2.gz GEKPWCBTBUCXRF-UXDRXVOSSA-N 2 1 316.489 3.479 20 0 DGADMP c1ccc([C@@H]2CSCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879478 619828031 /nfs/dbraw/zinc/82/80/31/619828031.db2.gz BVYMAIPBOSSSED-ONQFOCNCSA-N 2 1 302.487 3.307 20 0 DGADMP C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]([NH3+])CC(F)F ZINC000903884809 619828396 /nfs/dbraw/zinc/82/83/96/619828396.db2.gz ATOBCNVVQZYDTC-GFCCVEGCSA-N 2 1 306.784 3.023 20 0 DGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]([NH3+])CC(F)F ZINC000903884809 619828399 /nfs/dbraw/zinc/82/83/99/619828399.db2.gz ATOBCNVVQZYDTC-GFCCVEGCSA-N 2 1 306.784 3.023 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903886268 619828697 /nfs/dbraw/zinc/82/86/97/619828697.db2.gz OKJXOHWCCKCLAA-XVLXNVKGSA-N 2 1 314.473 3.233 20 0 DGADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903902507 619831844 /nfs/dbraw/zinc/83/18/44/619831844.db2.gz IBURTFQQMKNXHX-WFASDCNBSA-N 2 1 312.379 3.495 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918801 619833723 /nfs/dbraw/zinc/83/37/23/619833723.db2.gz IJLXORMNDJTVER-IYHXRUFHSA-N 2 1 324.472 3.241 20 0 DGADMP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1cccc(OC(F)(F)F)c1 ZINC000903937646 619837985 /nfs/dbraw/zinc/83/79/85/619837985.db2.gz ORVXHQNAWNAAND-WPRPVWTQSA-N 2 1 312.282 3.218 20 0 DGADMP c1nc(C2CCC2)sc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960095 619840081 /nfs/dbraw/zinc/84/00/81/619840081.db2.gz WXCGHAKEXOERFO-KRWDZBQOSA-N 2 1 305.491 3.376 20 0 DGADMP c1nc(C2CCC2)sc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960095 619840084 /nfs/dbraw/zinc/84/00/84/619840084.db2.gz WXCGHAKEXOERFO-KRWDZBQOSA-N 2 1 305.491 3.376 20 0 DGADMP CC(C)[C@H](C[N@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903942845 619842489 /nfs/dbraw/zinc/84/24/89/619842489.db2.gz WIUHWMBKOCUBOS-HNNXBMFYSA-N 2 1 315.486 3.400 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000903976770 619848282 /nfs/dbraw/zinc/84/82/82/619848282.db2.gz AGQDBHFLFUAERJ-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1CC[NH3+] ZINC000903977241 619848687 /nfs/dbraw/zinc/84/86/87/619848687.db2.gz MKILTMYKCHLYKJ-VXGBXAGGSA-N 2 1 302.340 3.002 20 0 DGADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000904311868 619912309 /nfs/dbraw/zinc/91/23/09/619912309.db2.gz JJWNYVOQOSSNFP-HSALFYBXSA-N 2 1 315.505 3.100 20 0 DGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000904328512 619913707 /nfs/dbraw/zinc/91/37/07/619913707.db2.gz FZXZZGCQFXQJJT-QGZVFWFLSA-N 2 1 304.478 3.436 20 0 DGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCOc1ccc(F)cc1F ZINC000904363107 619916995 /nfs/dbraw/zinc/91/69/95/619916995.db2.gz BEVLTBIZOVAIDP-CYBMUJFWSA-N 2 1 300.393 3.087 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904378429 619918129 /nfs/dbraw/zinc/91/81/29/619918129.db2.gz CNHFDYVWQXBHQV-RBUKOAKNSA-N 2 1 302.462 3.048 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)cc1F ZINC000904381194 619918816 /nfs/dbraw/zinc/91/88/16/619918816.db2.gz LGCOUQKRLRHETA-QAPCUYQASA-N 2 1 306.425 3.013 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OCC(C)C ZINC000904411182 619920357 /nfs/dbraw/zinc/92/03/57/619920357.db2.gz JJWQZMDJQXQZGS-DOTOQJQBSA-N 2 1 320.477 3.147 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000904411938 619920736 /nfs/dbraw/zinc/92/07/36/619920736.db2.gz QPEACRIEAULAIR-PWSUYJOCSA-N 2 1 304.331 3.261 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)c1 ZINC000924828345 620266074 /nfs/dbraw/zinc/26/60/74/620266074.db2.gz IMVPQWRDGRFJDG-MNZLEMJZSA-N 2 1 304.478 3.287 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921531664 620903702 /nfs/dbraw/zinc/90/37/02/620903702.db2.gz CHDXBKRCDNABIO-QGZVFWFLSA-N 2 1 318.509 3.285 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921536834 620904597 /nfs/dbraw/zinc/90/45/97/620904597.db2.gz RYIJIAOUYXRJHB-KRWDZBQOSA-N 2 1 318.509 3.427 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921537982 620904632 /nfs/dbraw/zinc/90/46/32/620904632.db2.gz SYFVYUWVYPKOLM-IYBDPMFKSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921537982 620904635 /nfs/dbraw/zinc/90/46/35/620904635.db2.gz SYFVYUWVYPKOLM-IYBDPMFKSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921549603 620907227 /nfs/dbraw/zinc/90/72/27/620907227.db2.gz ZXIYYGVPOJHYLZ-QGZVFWFLSA-N 2 1 311.429 3.305 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2O1 ZINC000921612811 620914021 /nfs/dbraw/zinc/91/40/21/620914021.db2.gz WJHGQGTVHKRBJI-AWEZNQCLSA-N 2 1 300.446 3.117 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)c(C)nn2C)c1 ZINC000921686390 620933570 /nfs/dbraw/zinc/93/35/70/620933570.db2.gz JDGXNPSYBWQQCM-UHFFFAOYSA-N 2 1 320.868 3.123 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)c(C)nn2C)c1 ZINC000921686390 620933573 /nfs/dbraw/zinc/93/35/73/620933573.db2.gz JDGXNPSYBWQQCM-UHFFFAOYSA-N 2 1 320.868 3.123 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCC2)C1 ZINC000921688778 620934647 /nfs/dbraw/zinc/93/46/47/620934647.db2.gz FZQIFJUCASMTNK-INIZCTEOSA-N 2 1 318.509 3.288 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C2CCCC2)C1 ZINC000921688778 620934650 /nfs/dbraw/zinc/93/46/50/620934650.db2.gz FZQIFJUCASMTNK-INIZCTEOSA-N 2 1 318.509 3.288 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@@H]1c1cccs1 ZINC000921776170 620948269 /nfs/dbraw/zinc/94/82/69/620948269.db2.gz MGWARTLIFVPDTH-RHSMWYFYSA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@@H]1c1cccs1 ZINC000921776170 620948271 /nfs/dbraw/zinc/94/82/71/620948271.db2.gz MGWARTLIFVPDTH-RHSMWYFYSA-N 2 1 317.458 3.021 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1cccc2[nH]c(=O)oc21)C(C)C ZINC000921806912 620952260 /nfs/dbraw/zinc/95/22/60/620952260.db2.gz RSACZYSMVWGTPF-UHFFFAOYSA-N 2 1 305.422 3.132 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921916127 620968110 /nfs/dbraw/zinc/96/81/10/620968110.db2.gz ZRPLYJMEUYXTRK-SFHVURJKSA-N 2 1 318.509 3.141 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921916127 620968114 /nfs/dbraw/zinc/96/81/14/620968114.db2.gz ZRPLYJMEUYXTRK-SFHVURJKSA-N 2 1 318.509 3.141 20 0 DGADMP CSCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000922063561 620984727 /nfs/dbraw/zinc/98/47/27/620984727.db2.gz HLYQOPPICRXGRX-MRXNPFEDSA-N 2 1 322.518 3.140 20 0 DGADMP CC/C=C/CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856586944 621006857 /nfs/dbraw/zinc/00/68/57/621006857.db2.gz VHEWTNKINRRBOD-GHOSXJJBSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C/CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856586944 621006861 /nfs/dbraw/zinc/00/68/61/621006861.db2.gz VHEWTNKINRRBOD-GHOSXJJBSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C/CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856586944 621006866 /nfs/dbraw/zinc/00/68/66/621006866.db2.gz VHEWTNKINRRBOD-GHOSXJJBSA-N 2 1 317.477 3.343 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H]3C=CCCC3)C2)ccn1 ZINC000856591191 621006980 /nfs/dbraw/zinc/00/69/80/621006980.db2.gz JTUQIOYIYQUYGI-IEBWSBKVSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)ccn1 ZINC000856591191 621006985 /nfs/dbraw/zinc/00/69/85/621006985.db2.gz JTUQIOYIYQUYGI-IEBWSBKVSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)ccn1 ZINC000856591191 621006989 /nfs/dbraw/zinc/00/69/89/621006989.db2.gz JTUQIOYIYQUYGI-IEBWSBKVSA-N 2 1 315.461 3.095 20 0 DGADMP c1cc2c(c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)n1)CCCC2 ZINC000922269869 621015745 /nfs/dbraw/zinc/01/57/45/621015745.db2.gz PRKCFFYKBIXHPL-QGZVFWFLSA-N 2 1 313.489 3.172 20 0 DGADMP c1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)n1)CCCC2 ZINC000922269869 621015748 /nfs/dbraw/zinc/01/57/48/621015748.db2.gz PRKCFFYKBIXHPL-QGZVFWFLSA-N 2 1 313.489 3.172 20 0 DGADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000922731291 621091968 /nfs/dbraw/zinc/09/19/68/621091968.db2.gz APQZZMJMFNRZRP-GOEBONIOSA-N 2 1 312.379 3.439 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819872 621104931 /nfs/dbraw/zinc/10/49/31/621104931.db2.gz DSXWRXMVELJEAG-MOPGFXCFSA-N 2 1 316.489 3.324 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819872 621104934 /nfs/dbraw/zinc/10/49/34/621104934.db2.gz DSXWRXMVELJEAG-MOPGFXCFSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCCC1 ZINC000857901889 621129258 /nfs/dbraw/zinc/12/92/58/621129258.db2.gz NTPJDRWYEQTGII-UKRRQHHQSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)[C@H]1c1cccs1 ZINC000858145576 621157997 /nfs/dbraw/zinc/15/79/97/621157997.db2.gz YPRBNXNOAUOXLL-PBHICJAKSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)[C@H]1c1cccs1 ZINC000858145576 621157999 /nfs/dbraw/zinc/15/79/99/621157999.db2.gz YPRBNXNOAUOXLL-PBHICJAKSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000923293781 621173023 /nfs/dbraw/zinc/17/30/23/621173023.db2.gz BKZUROMNMAZTFI-KOHJWAIASA-N 2 1 317.260 3.229 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923320958 621175984 /nfs/dbraw/zinc/17/59/84/621175984.db2.gz JOWFCAYGLQDFRA-IHWFROFDSA-N 3 1 321.553 3.351 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)sc1C(C)(C)C ZINC000923332790 621176313 /nfs/dbraw/zinc/17/63/13/621176313.db2.gz NPWFDVBXJMUYQP-IHRRRGAJSA-N 2 1 307.507 3.308 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)sc1C(C)(C)C ZINC000923332790 621176318 /nfs/dbraw/zinc/17/63/18/621176318.db2.gz NPWFDVBXJMUYQP-IHRRRGAJSA-N 2 1 307.507 3.308 20 0 DGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)co1 ZINC000923390832 621180894 /nfs/dbraw/zinc/18/08/94/621180894.db2.gz WDQQODTZXKCNKO-HNNXBMFYSA-N 2 1 305.466 3.184 20 0 DGADMP CCCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1ccc(C)o1 ZINC000923429243 621183730 /nfs/dbraw/zinc/18/37/30/621183730.db2.gz XWPVZEIBAWBMNO-JKSUJKDBSA-N 2 1 306.450 3.130 20 0 DGADMP CC(C)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccn1 ZINC000923432934 621184571 /nfs/dbraw/zinc/18/45/71/621184571.db2.gz LLOTVTJFAORSDH-AYHJJNSGSA-N 2 1 301.478 3.460 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000923483083 621187367 /nfs/dbraw/zinc/18/73/67/621187367.db2.gz XFBDHECKEZNHNQ-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000923486194 621187482 /nfs/dbraw/zinc/18/74/82/621187482.db2.gz CRRYWEJKZAMAQV-APWZRJJASA-N 2 1 323.440 3.037 20 0 DGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485130 621187755 /nfs/dbraw/zinc/18/77/55/621187755.db2.gz GDOXXTAZHWEFNQ-NEPJUHHUSA-N 2 1 320.824 3.122 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923497973 621188879 /nfs/dbraw/zinc/18/88/79/621188879.db2.gz NTNQUGVWAMQQNN-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923496901 621188888 /nfs/dbraw/zinc/18/88/88/621188888.db2.gz KDYLJGYCSGJAAK-WCQYABFASA-N 2 1 300.418 3.418 20 0 DGADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498911 621188895 /nfs/dbraw/zinc/18/88/95/621188895.db2.gz QTSOZHDIHTZQPY-AGIUHOORSA-N 2 1 311.267 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923498932 621188909 /nfs/dbraw/zinc/18/89/09/621188909.db2.gz JCHHRXCBEFXQLD-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499761 621189409 /nfs/dbraw/zinc/18/94/09/621189409.db2.gz TYPUPUUSIOFBFM-CHWSQXEVSA-N 2 1 316.367 3.044 20 0 DGADMP CCc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923507827 621190256 /nfs/dbraw/zinc/19/02/56/621190256.db2.gz QOIHGWABZBLGFN-AWEZNQCLSA-N 2 1 307.507 3.307 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517224 621190979 /nfs/dbraw/zinc/19/09/79/621190979.db2.gz BTSANYCVIGQCJB-KWCYVHTRSA-N 2 1 314.351 3.188 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000859214143 621261339 /nfs/dbraw/zinc/26/13/39/621261339.db2.gz MOTJDGAOUKKMGF-LJQANCHMSA-N 2 1 316.420 3.053 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc(C3CC3)nc2)cc1 ZINC000839094781 621328318 /nfs/dbraw/zinc/32/83/18/621328318.db2.gz CCJAHNCYKTZWPQ-UHFFFAOYSA-N 2 1 310.445 3.048 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc(C3CC3)nc2)cc1 ZINC000839094781 621328322 /nfs/dbraw/zinc/32/83/22/621328322.db2.gz CCJAHNCYKTZWPQ-UHFFFAOYSA-N 2 1 310.445 3.048 20 0 DGADMP C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000753849189 621468407 /nfs/dbraw/zinc/46/84/07/621468407.db2.gz PPVKSBFIHSWTKO-QWXUZBRKSA-N 2 1 320.864 3.196 20 0 DGADMP C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000753849189 621468409 /nfs/dbraw/zinc/46/84/09/621468409.db2.gz PPVKSBFIHSWTKO-QWXUZBRKSA-N 2 1 320.864 3.196 20 0 DGADMP CCCCCCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000863482218 621677616 /nfs/dbraw/zinc/67/76/16/621677616.db2.gz WHOFRFYDXHMSGI-UHFFFAOYSA-N 2 1 320.477 3.243 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000863558202 621683459 /nfs/dbraw/zinc/68/34/59/621683459.db2.gz ABMFYVYBVBOQCY-IAGOWNOFSA-N 2 1 310.869 3.357 20 0 DGADMP CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000759339089 621847327 /nfs/dbraw/zinc/84/73/27/621847327.db2.gz UHLGAZAVIDCXAQ-VQTJNVASSA-N 2 1 316.489 3.404 20 0 DGADMP CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000759339089 621847330 /nfs/dbraw/zinc/84/73/30/621847330.db2.gz UHLGAZAVIDCXAQ-VQTJNVASSA-N 2 1 316.489 3.404 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865428209 621918066 /nfs/dbraw/zinc/91/80/66/621918066.db2.gz QGAJEYHWCSXBHF-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865428209 621918069 /nfs/dbraw/zinc/91/80/69/621918069.db2.gz QGAJEYHWCSXBHF-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865437882 621920761 /nfs/dbraw/zinc/92/07/61/621920761.db2.gz VRLHOCDUUYKHQP-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2C)CC1 ZINC000865444337 621922874 /nfs/dbraw/zinc/92/28/74/621922874.db2.gz WEDGZBRKTHZXIW-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000865448277 621923755 /nfs/dbraw/zinc/92/37/55/621923755.db2.gz DKJGEXZOELDDRC-LBPRGKRZSA-N 2 1 306.479 3.371 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865483886 621932816 /nfs/dbraw/zinc/93/28/16/621932816.db2.gz SOWCKNCSUWTVQW-HOTGVXAUSA-N 2 1 301.409 3.336 20 0 DGADMP CCOCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000789559841 625526059 /nfs/dbraw/zinc/52/60/59/625526059.db2.gz XXQOMSUALFFPDT-UHFFFAOYSA-N 2 1 318.461 3.120 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000865652280 621971583 /nfs/dbraw/zinc/97/15/83/621971583.db2.gz WBGVIIZIAHQLOV-GOSISDBHSA-N 2 1 318.530 3.426 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000865660758 621973225 /nfs/dbraw/zinc/97/32/25/621973225.db2.gz BFSYUCGEWYORKE-QAPCUYQASA-N 2 1 313.420 3.078 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000865660756 621973248 /nfs/dbraw/zinc/97/32/48/621973248.db2.gz BFSYUCGEWYORKE-CRAIPNDOSA-N 2 1 313.420 3.078 20 0 DGADMP Cc1cc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2cc1F ZINC000865741865 621986863 /nfs/dbraw/zinc/98/68/63/621986863.db2.gz KZUKHLDFTHMOBZ-HZPDHXFCSA-N 2 1 315.436 3.374 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865781691 621994630 /nfs/dbraw/zinc/99/46/30/621994630.db2.gz GLGFNZQTTQCQQW-GXTWGEPZSA-N 2 1 313.367 3.382 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCc2cccnc2)cn1 ZINC000866238096 622072736 /nfs/dbraw/zinc/07/27/36/622072736.db2.gz IYOMNOQQAZRRJD-OAHLLOKOSA-N 2 1 321.428 3.082 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000866277468 622083489 /nfs/dbraw/zinc/08/34/89/622083489.db2.gz CSOMGBDLVPSGSZ-GOSISDBHSA-N 2 1 318.505 3.405 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc2c(ccnc2Cl)o1 ZINC000866341955 622097981 /nfs/dbraw/zinc/09/79/81/622097981.db2.gz QHZOAXKXMBSGSC-SNVBAGLBSA-N 2 1 304.781 3.108 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000866381555 622107100 /nfs/dbraw/zinc/10/71/00/622107100.db2.gz NBJOODFGIRFUTH-UIFIKXQLSA-N 2 1 323.484 3.338 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000866392754 622109913 /nfs/dbraw/zinc/10/99/13/622109913.db2.gz GOVKZSSNYPNKRS-PKOBYXMFSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000866392754 622109915 /nfs/dbraw/zinc/10/99/15/622109915.db2.gz GOVKZSSNYPNKRS-PKOBYXMFSA-N 2 1 301.478 3.490 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000866474625 622123708 /nfs/dbraw/zinc/12/37/08/622123708.db2.gz YGXJXABVUZRGIV-RHSMWYFYSA-N 2 1 305.441 3.353 20 0 DGADMP Cc1cc2c(CC[NH2+]C3CC[NH+](C4CC4)CC3)c[nH]c2cc1F ZINC000866493507 622127167 /nfs/dbraw/zinc/12/71/67/622127167.db2.gz VSKOHLJGCAONSZ-UHFFFAOYSA-N 2 1 315.436 3.374 20 0 DGADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000866506904 622128788 /nfs/dbraw/zinc/12/87/88/622128788.db2.gz SLILDRBARGCAJJ-CQSZACIVSA-N 2 1 322.415 3.198 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866635511 622151345 /nfs/dbraw/zinc/15/13/45/622151345.db2.gz RDEJVHXZOHAUBE-PBWTXFEYSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1Cl ZINC000866668527 622154657 /nfs/dbraw/zinc/15/46/57/622154657.db2.gz GKMMLYOVZUAPCK-HNNXBMFYSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccccc1 ZINC000764882528 622229904 /nfs/dbraw/zinc/22/99/04/622229904.db2.gz JWHBJLWIRKBNQI-WBVHZDCISA-N 2 1 324.472 3.316 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292726 622257286 /nfs/dbraw/zinc/25/72/86/622257286.db2.gz XAMKVWXFLXMKRC-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292726 622257288 /nfs/dbraw/zinc/25/72/88/622257288.db2.gz XAMKVWXFLXMKRC-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000765878821 622292711 /nfs/dbraw/zinc/29/27/11/622292711.db2.gz ZZYRNFVTPHDPDM-WBVHZDCISA-N 2 1 312.461 3.173 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000765878821 622292714 /nfs/dbraw/zinc/29/27/14/622292714.db2.gz ZZYRNFVTPHDPDM-WBVHZDCISA-N 2 1 312.461 3.173 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000766239814 622314554 /nfs/dbraw/zinc/31/45/54/622314554.db2.gz OQTSMFHLTSHYSP-MRXNPFEDSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000766239814 622314557 /nfs/dbraw/zinc/31/45/57/622314557.db2.gz OQTSMFHLTSHYSP-MRXNPFEDSA-N 2 1 319.836 3.388 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767416974 622397132 /nfs/dbraw/zinc/39/71/32/622397132.db2.gz FSNMSSWKLIOAEN-INIZCTEOSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2cc1C ZINC000768503887 622460705 /nfs/dbraw/zinc/46/07/05/622460705.db2.gz TZNWYMBYQCLNBD-FUHWJXTLSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2cc1C ZINC000768503887 622460707 /nfs/dbraw/zinc/46/07/07/622460707.db2.gz TZNWYMBYQCLNBD-FUHWJXTLSA-N 2 1 312.461 3.027 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(C(F)F)C3)c2)CCO1 ZINC000768675885 622470740 /nfs/dbraw/zinc/47/07/40/622470740.db2.gz WXHUKIBYCORTCG-IGEOTXOUSA-N 2 1 324.415 3.041 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(C(F)F)C3)c2)CCO1 ZINC000768675885 622470741 /nfs/dbraw/zinc/47/07/41/622470741.db2.gz WXHUKIBYCORTCG-IGEOTXOUSA-N 2 1 324.415 3.041 20 0 DGADMP C[C@H](CC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1)n1ccnc1 ZINC000870731937 622504287 /nfs/dbraw/zinc/50/42/87/622504287.db2.gz CVSUUNWSLUTASE-NVXWUHKLSA-N 2 1 319.449 3.175 20 0 DGADMP C[C@@H]1COCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000769458001 622529702 /nfs/dbraw/zinc/52/97/02/622529702.db2.gz XJGWAVPTOREVKI-KRWDZBQOSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@@H]1COCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000769458001 622529703 /nfs/dbraw/zinc/52/97/03/622529703.db2.gz XJGWAVPTOREVKI-KRWDZBQOSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@@H]1COCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000769458001 622529704 /nfs/dbraw/zinc/52/97/04/622529704.db2.gz XJGWAVPTOREVKI-KRWDZBQOSA-N 2 1 304.478 3.113 20 0 DGADMP CCCCCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000770394393 622630071 /nfs/dbraw/zinc/63/00/71/622630071.db2.gz HQQKZUNZMNTVDI-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872022224 622756047 /nfs/dbraw/zinc/75/60/47/622756047.db2.gz HXBIRYRCCXNCNT-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000872088329 622798434 /nfs/dbraw/zinc/79/84/34/622798434.db2.gz QBSBMKGMHSXJRV-BZSNNMDCSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131309 622824675 /nfs/dbraw/zinc/82/46/75/622824675.db2.gz ZORUDXARJQPXOD-XBFCOCLRSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131309 622824683 /nfs/dbraw/zinc/82/46/83/622824683.db2.gz ZORUDXARJQPXOD-XBFCOCLRSA-N 2 1 313.367 3.378 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872150700 622834957 /nfs/dbraw/zinc/83/49/57/622834957.db2.gz GDYMLDXNEDBYNC-RYUDHWBXSA-N 2 1 308.294 3.193 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872150700 622834963 /nfs/dbraw/zinc/83/49/63/622834963.db2.gz GDYMLDXNEDBYNC-RYUDHWBXSA-N 2 1 308.294 3.193 20 0 DGADMP Cc1cc(-c2noc(C[N@@H+](C)CCCCCC[NH3+])n2)ccc1F ZINC000872155873 622836048 /nfs/dbraw/zinc/83/60/48/622836048.db2.gz ZHLNCGBXOLFQHI-UHFFFAOYSA-N 2 1 320.412 3.135 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156094 622836392 /nfs/dbraw/zinc/83/63/92/622836392.db2.gz DRWAGNNRBNHJTM-AEFFLSMTSA-N 2 1 324.509 3.339 20 0 DGADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000872155663 622836404 /nfs/dbraw/zinc/83/64/04/622836404.db2.gz YBJJFZUJUQGBLW-GJZGRUSLSA-N 2 1 318.461 3.013 20 0 DGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155781 622837568 /nfs/dbraw/zinc/83/75/68/622837568.db2.gz ZGZNTRGYMIOGPC-CQSZACIVSA-N 2 1 302.422 3.249 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000790057247 625598866 /nfs/dbraw/zinc/59/88/66/625598866.db2.gz ZWVGQJPYOMDULP-SFHVURJKSA-N 2 1 316.489 3.195 20 0 DGADMP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206624 623074469 /nfs/dbraw/zinc/07/44/69/623074469.db2.gz CWWFVGZFMABCIK-KBPBESRZSA-N 2 1 310.532 3.500 20 0 DGADMP Fc1ccc2c(c1)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873205525 623074926 /nfs/dbraw/zinc/07/49/26/623074926.db2.gz ODIPVECECXYOGL-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP Fc1ccc2c(c1)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873205525 623074930 /nfs/dbraw/zinc/07/49/30/623074930.db2.gz ODIPVECECXYOGL-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000873223645 623080555 /nfs/dbraw/zinc/08/05/55/623080555.db2.gz QJESEUYICKRQMG-LJQANCHMSA-N 2 1 312.461 3.274 20 0 DGADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223991 623081903 /nfs/dbraw/zinc/08/19/03/623081903.db2.gz VYLYHUCVJBNPND-KRWDZBQOSA-N 2 1 324.538 3.186 20 0 DGADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231686 623084335 /nfs/dbraw/zinc/08/43/35/623084335.db2.gz ABDXTTRBDXTZMX-MAUKXSAKSA-N 2 1 318.509 3.102 20 0 DGADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231630 623084654 /nfs/dbraw/zinc/08/46/54/623084654.db2.gz TVRDIHDFQLGDJR-LPHOPBHVSA-N 2 1 318.509 3.157 20 0 DGADMP Fc1ccc2onc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2c1 ZINC000873248761 623091097 /nfs/dbraw/zinc/09/10/97/623091097.db2.gz IDOHRIWDHNLQHM-NUEKZKHPSA-N 2 1 317.408 3.367 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873272368 623100228 /nfs/dbraw/zinc/10/02/28/623100228.db2.gz SUKNSXCYYNNJAJ-GJZGRUSLSA-N 3 1 312.461 3.219 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000873281772 623102932 /nfs/dbraw/zinc/10/29/32/623102932.db2.gz AZLCCOCSMXMWBL-UWVGGRQHSA-N 2 1 307.747 3.113 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000775305793 623251493 /nfs/dbraw/zinc/25/14/93/623251493.db2.gz RPTGCHNHXBTYTJ-WDSOQIARSA-N 2 1 306.494 3.212 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775365062 623260201 /nfs/dbraw/zinc/26/02/01/623260201.db2.gz ONCABRNMMWRVMV-FPCVCCKLSA-N 2 1 314.564 3.220 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775385529 623264047 /nfs/dbraw/zinc/26/40/47/623264047.db2.gz LKNCYRCQIRCORX-KLHDSHLOSA-N 2 1 314.564 3.076 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(F)(F)F ZINC000777009425 623484466 /nfs/dbraw/zinc/48/44/66/623484466.db2.gz IMSUTXPSIODFPZ-NWANDNLSSA-N 2 1 322.415 3.196 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000777009426 623484479 /nfs/dbraw/zinc/48/44/79/623484479.db2.gz IMSUTXPSIODFPZ-VHDGCEQUSA-N 2 1 322.415 3.196 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(F)(F)F ZINC000777013749 623485530 /nfs/dbraw/zinc/48/55/30/623485530.db2.gz WXZHHCIFFOXGSW-AEGPPILISA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765536 623701755 /nfs/dbraw/zinc/70/17/55/623701755.db2.gz SSHJSAIFPARTFY-CJNGLKHVSA-N 2 1 301.409 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765536 623701761 /nfs/dbraw/zinc/70/17/61/623701761.db2.gz SSHJSAIFPARTFY-CJNGLKHVSA-N 2 1 301.409 3.288 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000779037625 623723519 /nfs/dbraw/zinc/72/35/19/623723519.db2.gz NCJRJZCQNWAHRA-CQSZACIVSA-N 2 1 304.482 3.413 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](OC(C)C)c2ccccc2)C1 ZINC000876989438 623761384 /nfs/dbraw/zinc/76/13/84/623761384.db2.gz ZCQSNLDKPBEZFG-HKUYNNGSSA-N 2 1 304.478 3.474 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)SC)[C@H](C)C1 ZINC000877030027 623769898 /nfs/dbraw/zinc/76/98/98/623769898.db2.gz WJWGKHAMZWWVRJ-CVEARBPZSA-N 2 1 316.555 3.245 20 0 DGADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000877059958 623779456 /nfs/dbraw/zinc/77/94/56/623779456.db2.gz SJXDGBSSYJDIDD-HOJAQTOUSA-N 2 1 314.473 3.105 20 0 DGADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000877059958 623779457 /nfs/dbraw/zinc/77/94/57/623779457.db2.gz SJXDGBSSYJDIDD-HOJAQTOUSA-N 2 1 314.473 3.105 20 0 DGADMP OCCCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877138367 623804199 /nfs/dbraw/zinc/80/41/99/623804199.db2.gz WMNBRQFYOJJGMS-UYAOXDASSA-N 2 1 316.489 3.497 20 0 DGADMP OCCCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877138367 623804206 /nfs/dbraw/zinc/80/42/06/623804206.db2.gz WMNBRQFYOJJGMS-UYAOXDASSA-N 2 1 316.489 3.497 20 0 DGADMP OC1CC(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877477330 623900657 /nfs/dbraw/zinc/90/06/57/623900657.db2.gz ASWKBNKWXKEGSG-LORQMZNPSA-N 2 1 314.473 3.105 20 0 DGADMP OC1CC(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877477330 623900659 /nfs/dbraw/zinc/90/06/59/623900659.db2.gz ASWKBNKWXKEGSG-LORQMZNPSA-N 2 1 314.473 3.105 20 0 DGADMP CCOP(=O)(CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OCC ZINC000877478043 623901800 /nfs/dbraw/zinc/90/18/00/623901800.db2.gz KSVYGXFFPUZVDQ-OAHLLOKOSA-N 2 1 320.414 3.059 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNCc2cc3c(ccnc3Cl)o2)C1 ZINC000877524884 623923583 /nfs/dbraw/zinc/92/35/83/623923583.db2.gz JPVUQELMSFJKOG-LBPRGKRZSA-N 2 1 307.825 3.301 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877524884 623923587 /nfs/dbraw/zinc/92/35/87/623923587.db2.gz JPVUQELMSFJKOG-LBPRGKRZSA-N 2 1 307.825 3.301 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877524884 623923593 /nfs/dbraw/zinc/92/35/93/623923593.db2.gz JPVUQELMSFJKOG-LBPRGKRZSA-N 2 1 307.825 3.301 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c2ccccc12 ZINC000877744480 624016579 /nfs/dbraw/zinc/01/65/79/624016579.db2.gz USPJVOYIWUWHRZ-APWZRJJASA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2ccccc12 ZINC000877744480 624016581 /nfs/dbraw/zinc/01/65/81/624016581.db2.gz USPJVOYIWUWHRZ-APWZRJJASA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c2ccccc12 ZINC000877744480 624016583 /nfs/dbraw/zinc/01/65/83/624016583.db2.gz USPJVOYIWUWHRZ-APWZRJJASA-N 2 1 310.441 3.374 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@]34CCCO4)CC2)cc1 ZINC000877870784 624076283 /nfs/dbraw/zinc/07/62/83/624076283.db2.gz FPDVJQCSBBCWHM-UXHICEINSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@]34CCCO4)CC2)cc1 ZINC000877870786 624076292 /nfs/dbraw/zinc/07/62/92/624076292.db2.gz FPDVJQCSBBCWHM-WOJBJXKFSA-N 2 1 314.473 3.342 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000878314857 624243930 /nfs/dbraw/zinc/24/39/30/624243930.db2.gz YGJCNLBQFGYDOA-SFHVURJKSA-N 2 1 302.462 3.282 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nocc2C)CC1)CC1CC1 ZINC000878340639 624249160 /nfs/dbraw/zinc/24/91/60/624249160.db2.gz SJODKHGEOMJMCP-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nocc2C)CC1)CC1CC1 ZINC000878340639 624249163 /nfs/dbraw/zinc/24/91/63/624249163.db2.gz SJODKHGEOMJMCP-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP C[C@H]([NH2+]CCCOC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411391 624271236 /nfs/dbraw/zinc/27/12/36/624271236.db2.gz JBPAVIKDIVOWPX-STQMWFEESA-N 2 1 308.388 3.156 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC000878448361 624280867 /nfs/dbraw/zinc/28/08/67/624280867.db2.gz XVQOXALZGLYJOA-FUHWJXTLSA-N 2 1 308.510 3.293 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC[C@@H](O)C(C)C)C2)s1 ZINC000878573144 624311858 /nfs/dbraw/zinc/31/18/58/624311858.db2.gz HQLQIZPZYMUIFZ-SJLPKXTDSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@@H](O)C(C)C)C2)s1 ZINC000878573144 624311860 /nfs/dbraw/zinc/31/18/60/624311860.db2.gz HQLQIZPZYMUIFZ-SJLPKXTDSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@@H](O)C(C)C)C2)s1 ZINC000878573144 624311861 /nfs/dbraw/zinc/31/18/61/624311861.db2.gz HQLQIZPZYMUIFZ-SJLPKXTDSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000784392906 624518776 /nfs/dbraw/zinc/51/87/76/624518776.db2.gz QVDDCNOMSGILSI-UHFFFAOYSA-N 2 1 312.461 3.102 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569084 624593629 /nfs/dbraw/zinc/59/36/29/624593629.db2.gz IZOWQSQHCHPHGO-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569084 624593634 /nfs/dbraw/zinc/59/36/34/624593634.db2.gz IZOWQSQHCHPHGO-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569084 624593639 /nfs/dbraw/zinc/59/36/39/624593639.db2.gz IZOWQSQHCHPHGO-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569084 624593641 /nfs/dbraw/zinc/59/36/41/624593641.db2.gz IZOWQSQHCHPHGO-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569084 624593645 /nfs/dbraw/zinc/59/36/45/624593645.db2.gz IZOWQSQHCHPHGO-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879568730 624593652 /nfs/dbraw/zinc/59/36/52/624593652.db2.gz CMGLTURAJGEAGR-MJGOQNOKSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573901 624596286 /nfs/dbraw/zinc/59/62/86/624596286.db2.gz UGVLZIQGNFUWNJ-QZTJIDSGSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573901 624596288 /nfs/dbraw/zinc/59/62/88/624596288.db2.gz UGVLZIQGNFUWNJ-QZTJIDSGSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573901 624596292 /nfs/dbraw/zinc/59/62/92/624596292.db2.gz UGVLZIQGNFUWNJ-QZTJIDSGSA-N 2 1 302.462 3.098 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879674331 624635518 /nfs/dbraw/zinc/63/55/18/624635518.db2.gz FTSKXCSAMJRREJ-OALUTQOASA-N 2 1 301.478 3.257 20 0 DGADMP CC(C)C[N@H+](Cc1cc(CO)ccc1F)CC1CC[NH+](C)CC1 ZINC000879703300 624645364 /nfs/dbraw/zinc/64/53/64/624645364.db2.gz HRZFHCBQLMTRCR-UHFFFAOYSA-N 2 1 322.468 3.118 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000879951332 624730477 /nfs/dbraw/zinc/73/04/77/624730477.db2.gz KZIGCMQTWHSBPR-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)CCO1 ZINC000880023037 624759072 /nfs/dbraw/zinc/75/90/72/624759072.db2.gz MXTOJMSIXBGZFD-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)CCO1 ZINC000880023037 624759078 /nfs/dbraw/zinc/75/90/78/624759078.db2.gz MXTOJMSIXBGZFD-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CCO1 ZINC000880023037 624759080 /nfs/dbraw/zinc/75/90/80/624759080.db2.gz MXTOJMSIXBGZFD-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)CCO1 ZINC000880023037 624759082 /nfs/dbraw/zinc/75/90/82/624759082.db2.gz MXTOJMSIXBGZFD-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880060146 624771147 /nfs/dbraw/zinc/77/11/47/624771147.db2.gz ORQSVIOISWIECH-JSGCOSHPSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880060146 624771150 /nfs/dbraw/zinc/77/11/50/624771150.db2.gz ORQSVIOISWIECH-JSGCOSHPSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880103665 624789961 /nfs/dbraw/zinc/78/99/61/624789961.db2.gz WOOKGSRMKGETIH-NSHDSACASA-N 2 1 312.339 3.346 20 0 DGADMP Cn1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C(F)F)n1 ZINC000880516856 624971437 /nfs/dbraw/zinc/97/14/37/624971437.db2.gz AVGHQNWWYCSAMV-UHFFFAOYSA-N 2 1 314.424 3.056 20 0 DGADMP Cc1nccn1CCCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552425 624976281 /nfs/dbraw/zinc/97/62/81/624976281.db2.gz WELUYNKAUJMBFE-LJQANCHMSA-N 2 1 324.472 3.456 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552425 624976283 /nfs/dbraw/zinc/97/62/83/624976283.db2.gz WELUYNKAUJMBFE-LJQANCHMSA-N 2 1 324.472 3.456 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552425 624976284 /nfs/dbraw/zinc/97/62/84/624976284.db2.gz WELUYNKAUJMBFE-LJQANCHMSA-N 2 1 324.472 3.456 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000787293243 624997242 /nfs/dbraw/zinc/99/72/42/624997242.db2.gz WNGOPZRTOZZUMG-JKSUJKDBSA-N 2 1 323.444 3.364 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)cc1OC ZINC000788471306 625188056 /nfs/dbraw/zinc/18/80/56/625188056.db2.gz OPUGNAAGDNMYFH-QGZVFWFLSA-N 2 1 318.461 3.183 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000788482522 625193847 /nfs/dbraw/zinc/19/38/47/625193847.db2.gz WSKHRFVLSUJPKU-QGZVFWFLSA-N 2 1 304.503 3.442 20 0 DGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000788492155 625197803 /nfs/dbraw/zinc/19/78/03/625197803.db2.gz ASKWZAZKUVEVGM-MRXNPFEDSA-N 2 1 317.477 3.067 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000788816130 625273392 /nfs/dbraw/zinc/27/33/92/625273392.db2.gz QAMKNAOYIXMFAQ-IHPCNDPISA-N 2 1 316.489 3.446 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000788818301 625275588 /nfs/dbraw/zinc/27/55/88/625275588.db2.gz PEWNJLVXEMCQJF-HNNXBMFYSA-N 2 1 305.809 3.096 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+]1C ZINC000883192979 625964198 /nfs/dbraw/zinc/96/41/98/625964198.db2.gz LTQUZYHLXURSPO-MDASCCDHSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+]1C ZINC000883192979 625964201 /nfs/dbraw/zinc/96/42/01/625964201.db2.gz LTQUZYHLXURSPO-MDASCCDHSA-N 2 1 320.452 3.366 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC4(CC4)C3)CC2)nc(C)[nH+]1 ZINC000883195934 625966480 /nfs/dbraw/zinc/96/64/80/625966480.db2.gz GOAWHPOWZGMWLE-QGZVFWFLSA-N 2 1 314.477 3.375 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796754632 626078967 /nfs/dbraw/zinc/07/89/67/626078967.db2.gz KHDNJWSGWLFCLM-LMMKCTJWSA-N 2 1 301.478 3.105 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000796799222 626084153 /nfs/dbraw/zinc/08/41/53/626084153.db2.gz SYDBPEBBGNUVGV-QRVBRYPASA-N 2 1 302.462 3.226 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000796796888 626084231 /nfs/dbraw/zinc/08/42/31/626084231.db2.gz FMXJHRXFLSHIIR-RNUBBMKBSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000796796888 626084233 /nfs/dbraw/zinc/08/42/33/626084233.db2.gz FMXJHRXFLSHIIR-RNUBBMKBSA-N 2 1 319.537 3.246 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCCOc3ccc(F)cc3)C2)CC1 ZINC000799176838 626277703 /nfs/dbraw/zinc/27/77/03/626277703.db2.gz GHHVRCVPVUUUKX-UHFFFAOYSA-N 2 1 320.452 3.402 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178612 626277837 /nfs/dbraw/zinc/27/78/37/626277837.db2.gz XWNUOOXEDHEKJK-UHFFFAOYSA-N 2 1 316.489 3.490 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000800272009 626345909 /nfs/dbraw/zinc/34/59/09/626345909.db2.gz YYTJXDQJLOEXHE-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000800329834 626352196 /nfs/dbraw/zinc/35/21/96/626352196.db2.gz QNBZOVMDTGWZHV-SFHVURJKSA-N 2 1 315.505 3.022 20 0 DGADMP CSCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131614676 626659697 /nfs/dbraw/zinc/65/96/97/626659697.db2.gz WNOCBKFJKCHQCX-INIZCTEOSA-N 2 1 306.519 3.425 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417675 626678110 /nfs/dbraw/zinc/67/81/10/626678110.db2.gz JCNCPBUKKORCQT-UXHICEINSA-N 2 1 314.473 3.371 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C[C@@H]21 ZINC000883425033 626679404 /nfs/dbraw/zinc/67/94/04/626679404.db2.gz JZQZHYLEACZWHA-LCWAXJCOSA-N 2 1 314.473 3.356 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883432289 626680576 /nfs/dbraw/zinc/68/05/76/626680576.db2.gz OUSBBJDFLLBBIK-OQIJWPOYSA-N 2 1 302.462 3.214 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)O2)cc1 ZINC000883430143 626680899 /nfs/dbraw/zinc/68/08/99/626680899.db2.gz NUUWNQPIAYHXOU-YRPNKDGESA-N 2 1 314.473 3.371 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437868 626682143 /nfs/dbraw/zinc/68/21/43/626682143.db2.gz DCBMWGUJJPQXSS-LWYYNNOASA-N 2 1 314.473 3.228 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437868 626682144 /nfs/dbraw/zinc/68/21/44/626682144.db2.gz DCBMWGUJJPQXSS-LWYYNNOASA-N 2 1 314.473 3.228 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)O2)cc1 ZINC000883440487 626683231 /nfs/dbraw/zinc/68/32/31/626683231.db2.gz RHUFOYRZEPNDSA-NMLBUPMWSA-N 2 1 314.473 3.371 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000883447878 626683864 /nfs/dbraw/zinc/68/38/64/626683864.db2.gz NYDCWOSJOGDGCP-WMZOPIPTSA-N 2 1 324.472 3.256 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccsc3[C@@H]2C)cc1 ZINC000883461022 626686466 /nfs/dbraw/zinc/68/64/66/626686466.db2.gz MDVBOGUJTNNXCH-XJKSGUPXSA-N 2 1 316.470 3.418 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)cn2)cc1 ZINC000808378189 626819024 /nfs/dbraw/zinc/81/90/24/626819024.db2.gz GTGWNNJWXGURJC-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)cn2)cc1 ZINC000808378189 626819030 /nfs/dbraw/zinc/81/90/30/626819030.db2.gz GTGWNNJWXGURJC-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)cn2)cc1 ZINC000808378190 626819084 /nfs/dbraw/zinc/81/90/84/626819084.db2.gz GTGWNNJWXGURJC-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)cn2)cc1 ZINC000808378190 626819085 /nfs/dbraw/zinc/81/90/85/626819085.db2.gz GTGWNNJWXGURJC-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)nc1 ZINC000810209234 626988225 /nfs/dbraw/zinc/98/82/25/626988225.db2.gz OVOJIAAVOAQVPZ-YUTCNCBUSA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)nc1 ZINC000810209234 626988227 /nfs/dbraw/zinc/98/82/27/626988227.db2.gz OVOJIAAVOAQVPZ-YUTCNCBUSA-N 2 1 324.266 3.122 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000885968982 627072998 /nfs/dbraw/zinc/07/29/98/627072998.db2.gz GTFZGOBESXWOBX-UHFFFAOYSA-N 2 1 303.837 3.477 20 0 DGADMP COc1cc(C)cc(C[NH2+]CCCCn2cc[nH+]c2C)c1OC ZINC000885999811 627080140 /nfs/dbraw/zinc/08/01/40/627080140.db2.gz NQNGHVAZXMIBTD-UHFFFAOYSA-N 2 1 317.433 3.087 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886313949 627135266 /nfs/dbraw/zinc/13/52/66/627135266.db2.gz IDFOODONNWXGMV-MSOLQXFVSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+](Cc1cccnc1)[C@H]1CC[C@H]([N@@H+](C)Cc2cccnc2)CC1 ZINC000886391964 627145940 /nfs/dbraw/zinc/14/59/40/627145940.db2.gz KIABXGXOXQHBDD-MXVIHJGJSA-N 2 1 324.472 3.352 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886532892 627158128 /nfs/dbraw/zinc/15/81/28/627158128.db2.gz QJKDFEDMLHUVAW-UHFFFAOYSA-N 3 1 318.509 3.358 20 0 DGADMP C[C@]1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCOC1 ZINC000886543344 627159926 /nfs/dbraw/zinc/15/99/26/627159926.db2.gz MYVPJZRZMBHUMU-YRPNKDGESA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccnn1C ZINC000886648540 627179997 /nfs/dbraw/zinc/17/99/97/627179997.db2.gz XJRAPKQQCWTHNB-BVBHFADKSA-N 2 1 324.472 3.124 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838143 627210989 /nfs/dbraw/zinc/21/09/89/627210989.db2.gz RTMRAXXCHYMPTR-SQNIBIBYSA-N 2 1 306.494 3.047 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000886858027 627211321 /nfs/dbraw/zinc/21/13/21/627211321.db2.gz JTCDMUUHSYYKNY-HOTGVXAUSA-N 2 1 307.507 3.096 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887035795 627218930 /nfs/dbraw/zinc/21/89/30/627218930.db2.gz XJZLVSNQUTXZQK-QGZVFWFLSA-N 2 1 319.493 3.293 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887035795 627218931 /nfs/dbraw/zinc/21/89/31/627218931.db2.gz XJZLVSNQUTXZQK-QGZVFWFLSA-N 2 1 319.493 3.293 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cccc2cccnc21 ZINC000887130717 627227736 /nfs/dbraw/zinc/22/77/36/627227736.db2.gz JGWDVXNHXNBMCQ-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000924688242 627667739 /nfs/dbraw/zinc/66/77/39/627667739.db2.gz SAXDLRSRANIGFN-HZPDHXFCSA-N 2 1 307.486 3.164 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924687955 627668133 /nfs/dbraw/zinc/66/81/33/627668133.db2.gz YANPUWZSVBAEON-JFRXWTBNSA-N 2 1 308.510 3.149 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924697037 627669147 /nfs/dbraw/zinc/66/91/47/627669147.db2.gz XYGMNCABTLGGEM-RTBURBONSA-N 2 1 308.510 3.292 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924697033 627669277 /nfs/dbraw/zinc/66/92/77/627669277.db2.gz XYGMNCABTLGGEM-RBUKOAKNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCCc2c(Cl)ccnc21)C[NH+]1CCCC1 ZINC000924717799 627672924 /nfs/dbraw/zinc/67/29/24/627672924.db2.gz XDJVOMQAZQIQIW-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP O=C(OCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445621 627674513 /nfs/dbraw/zinc/67/45/13/627674513.db2.gz DLBTUXGVDZQJNX-SFHVURJKSA-N 2 1 322.493 3.203 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755846 627676384 /nfs/dbraw/zinc/67/63/84/627676384.db2.gz XNPKAYAECSCXKG-SJLPKXTDSA-N 3 1 303.494 3.131 20 0 DGADMP CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755846 627676387 /nfs/dbraw/zinc/67/63/87/627676387.db2.gz XNPKAYAECSCXKG-SJLPKXTDSA-N 2 1 303.494 3.131 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755846 627676389 /nfs/dbraw/zinc/67/63/89/627676389.db2.gz XNPKAYAECSCXKG-SJLPKXTDSA-N 2 1 303.494 3.131 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755843 627676486 /nfs/dbraw/zinc/67/64/86/627676486.db2.gz XNPKAYAECSCXKG-AEFFLSMTSA-N 3 1 303.494 3.131 20 0 DGADMP CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755843 627676487 /nfs/dbraw/zinc/67/64/87/627676487.db2.gz XNPKAYAECSCXKG-AEFFLSMTSA-N 2 1 303.494 3.131 20 0 DGADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755843 627676491 /nfs/dbraw/zinc/67/64/91/627676491.db2.gz XNPKAYAECSCXKG-AEFFLSMTSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924750228 627676663 /nfs/dbraw/zinc/67/66/63/627676663.db2.gz DJUSBXHSLVOEJW-NJAFHUGGSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924750228 627676667 /nfs/dbraw/zinc/67/66/67/627676667.db2.gz DJUSBXHSLVOEJW-NJAFHUGGSA-N 2 1 308.510 3.292 20 0 DGADMP CCON1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000924828389 627684850 /nfs/dbraw/zinc/68/48/50/627684850.db2.gz JDPHPIQVGAPFED-UHFFFAOYSA-N 2 1 319.493 3.032 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000815579633 627687023 /nfs/dbraw/zinc/68/70/23/627687023.db2.gz ROYDZSTURDNUHH-CRAIPNDOSA-N 2 1 320.452 3.428 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924952137 627696457 /nfs/dbraw/zinc/69/64/57/627696457.db2.gz NATBDJYSCWSDCJ-LSDHHAIUSA-N 2 1 315.465 3.175 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC[N@@H+]1C ZINC000925140523 627712324 /nfs/dbraw/zinc/71/23/24/627712324.db2.gz JWEDKOIFVCVKIB-JRGCBEDISA-N 2 1 323.484 3.308 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC[N@H+]1C ZINC000925140523 627712326 /nfs/dbraw/zinc/71/23/26/627712326.db2.gz JWEDKOIFVCVKIB-JRGCBEDISA-N 2 1 323.484 3.308 20 0 DGADMP Cc1ccc2nc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)[nH]c2c1 ZINC000925525794 627747775 /nfs/dbraw/zinc/74/77/75/627747775.db2.gz FHTRLYLESQMPCC-MRXNPFEDSA-N 2 1 308.429 3.441 20 0 DGADMP C[C@H]([NH3+])[C@@H](NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000925529184 627748469 /nfs/dbraw/zinc/74/84/69/627748469.db2.gz WWVITCXEUZWOFJ-RRQGHBQHSA-N 2 1 303.475 3.029 20 0 DGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925549607 627752800 /nfs/dbraw/zinc/75/28/00/627752800.db2.gz WSHHTADQELRBJW-XYVMCAHJSA-N 2 1 300.446 3.185 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)o1 ZINC000925556607 627753272 /nfs/dbraw/zinc/75/32/72/627753272.db2.gz KSFMSQMOOWYWAW-BBWFWOEESA-N 2 1 319.493 3.221 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)C[C@@H]([NH3+])C1 ZINC000925557534 627754337 /nfs/dbraw/zinc/75/43/37/627754337.db2.gz CBNSMBXUDHUBLX-NEPJUHHUSA-N 2 1 305.447 3.399 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925586506 627759230 /nfs/dbraw/zinc/75/92/30/627759230.db2.gz SSCQSIIPBDHHCW-RRQGHBQHSA-N 2 1 315.461 3.031 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000925588208 627759475 /nfs/dbraw/zinc/75/94/75/627759475.db2.gz OXKVFROHGGCVOD-BHIYHBOVSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631744 627765704 /nfs/dbraw/zinc/76/57/04/627765704.db2.gz JHAHRHKNSUFEPX-LUKYLMHMSA-N 3 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631744 627765708 /nfs/dbraw/zinc/76/57/08/627765708.db2.gz JHAHRHKNSUFEPX-LUKYLMHMSA-N 2 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631744 627765712 /nfs/dbraw/zinc/76/57/12/627765712.db2.gz JHAHRHKNSUFEPX-LUKYLMHMSA-N 2 1 307.526 3.135 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925636173 627765858 /nfs/dbraw/zinc/76/58/58/627765858.db2.gz ANIUNSPVYQFORZ-NEWSRXKRSA-N 3 1 307.526 3.009 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925641199 627768163 /nfs/dbraw/zinc/76/81/63/627768163.db2.gz WRPAZLKGLKTCTA-OKZBNKHCSA-N 2 1 300.446 3.171 20 0 DGADMP Fc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925647697 627770005 /nfs/dbraw/zinc/77/00/05/627770005.db2.gz FTCIGZDFZSHWQG-SQNIBIBYSA-N 2 1 318.436 3.310 20 0 DGADMP FC(F)Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925650754 627770648 /nfs/dbraw/zinc/77/06/48/627770648.db2.gz XVQHAWIJXBTMOO-OAHLLOKOSA-N 2 1 310.388 3.095 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000925655450 627771105 /nfs/dbraw/zinc/77/11/05/627771105.db2.gz VHTLPISEHJBFAQ-IPMKNSEASA-N 2 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000925655450 627771110 /nfs/dbraw/zinc/77/11/10/627771110.db2.gz VHTLPISEHJBFAQ-IPMKNSEASA-N 3 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000925655450 627771112 /nfs/dbraw/zinc/77/11/12/627771112.db2.gz VHTLPISEHJBFAQ-IPMKNSEASA-N 3 1 315.505 3.004 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C12CCC2 ZINC000925669114 627774125 /nfs/dbraw/zinc/77/41/25/627774125.db2.gz PDFPDGAJGTWPQP-FUMNGEBKSA-N 2 1 322.452 3.321 20 0 DGADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccn2)cc1 ZINC000925708623 627779972 /nfs/dbraw/zinc/77/99/72/627779972.db2.gz MTXGSAGPYQHSEX-FQEVSTJZSA-N 2 1 307.441 3.331 20 0 DGADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccn2)cc1 ZINC000925708623 627779975 /nfs/dbraw/zinc/77/99/75/627779975.db2.gz MTXGSAGPYQHSEX-FQEVSTJZSA-N 2 1 307.441 3.331 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000925741754 627785623 /nfs/dbraw/zinc/78/56/23/627785623.db2.gz MHIRGCQRBHQHKP-CEXWTWQISA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000925741754 627785626 /nfs/dbraw/zinc/78/56/26/627785626.db2.gz MHIRGCQRBHQHKP-CEXWTWQISA-N 3 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000925741754 627785629 /nfs/dbraw/zinc/78/56/29/627785629.db2.gz MHIRGCQRBHQHKP-CEXWTWQISA-N 3 1 315.505 3.004 20 0 DGADMP Cc1ccc(C)c([C@@H](C)N2CCc3sc(CN)nc3C2)c1 ZINC000925752418 627787550 /nfs/dbraw/zinc/78/75/50/627787550.db2.gz UZWRKAYLJICWRM-CYBMUJFWSA-N 2 1 301.459 3.338 20 0 DGADMP C[C@H](C1CCC(F)(F)CC1)N1CCc2sc(CN)nc2C1 ZINC000925750798 627787670 /nfs/dbraw/zinc/78/76/70/627787670.db2.gz HPCGOZYOYLXNRC-SNVBAGLBSA-N 2 1 315.433 3.174 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800855 627797013 /nfs/dbraw/zinc/79/70/13/627797013.db2.gz ZNPMQPAJDMVDBO-RVKKMQEKSA-N 3 1 312.461 3.077 20 0 DGADMP C[C@@H]([NH3+])[C@H](NCCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809770 627798404 /nfs/dbraw/zinc/79/84/04/627798404.db2.gz WNLJCBDFEIAOLD-APWZRJJASA-N 2 1 303.494 3.225 20 0 DGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809770 627798407 /nfs/dbraw/zinc/79/84/07/627798407.db2.gz WNLJCBDFEIAOLD-APWZRJJASA-N 3 1 303.494 3.225 20 0 DGADMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925830234 627801600 /nfs/dbraw/zinc/80/16/00/627801600.db2.gz GHTWMLBMUCIRNV-RBSFLKMASA-N 2 1 319.518 3.422 20 0 DGADMP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CC2 ZINC000925839049 627802938 /nfs/dbraw/zinc/80/29/38/627802938.db2.gz QDVQMMWIXHWFNS-OGHNNQOOSA-N 2 1 310.363 3.213 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cc1C ZINC000925849529 627805770 /nfs/dbraw/zinc/80/57/70/627805770.db2.gz PGMXMLILPXOXMR-SFHVURJKSA-N 2 1 303.494 3.030 20 0 DGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(C2CC2)c1 ZINC000925848012 627805990 /nfs/dbraw/zinc/80/59/90/627805990.db2.gz YIKGMAMXYHRQTN-QGZVFWFLSA-N 2 1 315.505 3.290 20 0 DGADMP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000926042309 627833523 /nfs/dbraw/zinc/83/35/23/627833523.db2.gz IIXZJJBQDDPOIF-MOPGFXCFSA-N 2 1 317.477 3.056 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325804 627879853 /nfs/dbraw/zinc/87/98/53/627879853.db2.gz NKXPLVXKWNBZRJ-UFYCRDLUSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)C2)CO1 ZINC000926352663 627883793 /nfs/dbraw/zinc/88/37/93/627883793.db2.gz XUOBRGWZBIFARE-YQBZFSLMSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926459701 627898636 /nfs/dbraw/zinc/89/86/36/627898636.db2.gz XLCVBDZRNZNQHA-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685582 627932626 /nfs/dbraw/zinc/93/26/26/627932626.db2.gz YFJIBIQVOAVZRN-CRAIPNDOSA-N 2 1 303.494 3.272 20 0 DGADMP C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685582 627932629 /nfs/dbraw/zinc/93/26/29/627932629.db2.gz YFJIBIQVOAVZRN-CRAIPNDOSA-N 2 1 303.494 3.272 20 0 DGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000926706630 627937065 /nfs/dbraw/zinc/93/70/65/627937065.db2.gz ISILCMOYJNKFMD-ZIFCJYIRSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000926706630 627937069 /nfs/dbraw/zinc/93/70/69/627937069.db2.gz ISILCMOYJNKFMD-ZIFCJYIRSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926718698 627939470 /nfs/dbraw/zinc/93/94/70/627939470.db2.gz LXNIZVDQXQEKHG-HHXXYDBFSA-N 2 1 306.494 3.354 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000817891080 627953708 /nfs/dbraw/zinc/95/37/08/627953708.db2.gz FORIMCSSRMQRLV-JBBXEZCESA-N 2 1 321.424 3.001 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805220 627958238 /nfs/dbraw/zinc/95/82/38/627958238.db2.gz ORJNEFUEURLIBC-RHSMWYFYSA-N 2 1 303.450 3.235 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805220 627958240 /nfs/dbraw/zinc/95/82/40/627958240.db2.gz ORJNEFUEURLIBC-RHSMWYFYSA-N 2 1 303.450 3.235 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2([C@@H](O)c3ccccc3)CC2)c2ccccc21 ZINC000817917639 627961333 /nfs/dbraw/zinc/96/13/33/627961333.db2.gz QMUSVBWYXUFHSH-QRVBRYPASA-N 2 1 308.425 3.235 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000817960569 627975479 /nfs/dbraw/zinc/97/54/79/627975479.db2.gz OKUWFBPAUAHWOS-JTQLQIEISA-N 2 1 300.244 3.012 20 0 DGADMP Cc1cc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1C ZINC000926916334 627979593 /nfs/dbraw/zinc/97/95/93/627979593.db2.gz VSAWTBCNDBVLSK-OAHLLOKOSA-N 2 1 323.444 3.116 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)nc1 ZINC000817986520 627984513 /nfs/dbraw/zinc/98/45/13/627984513.db2.gz QXMLXFFELLXGFW-WCQYABFASA-N 2 1 324.266 3.169 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)[C@H]2CCC[C@@H]21 ZINC000927121373 628020970 /nfs/dbraw/zinc/02/09/70/628020970.db2.gz URNASAXFMOOSFN-FYQPLNBISA-N 2 1 314.473 3.155 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000818959253 628067641 /nfs/dbraw/zinc/06/76/41/628067641.db2.gz GTVHEDAXEOBGGP-OXQOHEQNSA-N 2 1 318.505 3.439 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000818960989 628068031 /nfs/dbraw/zinc/06/80/31/628068031.db2.gz MSSUALZLTOMCPQ-WSTZPKSXSA-N 2 1 318.505 3.376 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc2ccccc21 ZINC000818962962 628068763 /nfs/dbraw/zinc/06/87/63/628068763.db2.gz CENRIQTYFJLCBL-UWVAXJGDSA-N 2 1 310.441 3.090 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000818984236 628073374 /nfs/dbraw/zinc/07/33/74/628073374.db2.gz BIHNIJOSFVGZKR-YOEHRIQHSA-N 2 1 310.869 3.083 20 0 DGADMP COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820805943 628298860 /nfs/dbraw/zinc/29/88/60/628298860.db2.gz VLVCHUZGYSZJED-YQQQUEKLSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)N1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820814340 628300307 /nfs/dbraw/zinc/30/03/07/628300307.db2.gz IWKMVEVTEWMOBW-INIZCTEOSA-N 2 1 303.494 3.272 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820814340 628300309 /nfs/dbraw/zinc/30/03/09/628300309.db2.gz IWKMVEVTEWMOBW-INIZCTEOSA-N 2 1 303.494 3.272 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000821736461 628393740 /nfs/dbraw/zinc/39/37/40/628393740.db2.gz FPXTYGHOLRIBLH-ROUUACIJSA-N 2 1 315.461 3.047 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000823015506 628519221 /nfs/dbraw/zinc/51/92/21/628519221.db2.gz GSYNLLVLZQMGEJ-ZDUSSCGKSA-N 2 1 305.293 3.378 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000823960672 628614151 /nfs/dbraw/zinc/61/41/51/628614151.db2.gz BPFKIGAUVFILHO-KGLIPLIRSA-N 2 1 307.825 3.444 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000824883747 628703055 /nfs/dbraw/zinc/70/30/55/628703055.db2.gz NDWDSGFPMLLVED-GOSISDBHSA-N 2 1 304.397 3.084 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000828070349 629020478 /nfs/dbraw/zinc/02/04/78/629020478.db2.gz FGAQLYVCQQSCRV-IEBWSBKVSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000828070349 629020479 /nfs/dbraw/zinc/02/04/79/629020479.db2.gz FGAQLYVCQQSCRV-IEBWSBKVSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000828070349 629020480 /nfs/dbraw/zinc/02/04/80/629020480.db2.gz FGAQLYVCQQSCRV-IEBWSBKVSA-N 2 1 303.494 3.175 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925485078 629552050 /nfs/dbraw/zinc/55/20/50/629552050.db2.gz APJVFGUDLNFPNN-RBUKOAKNSA-N 2 1 303.494 3.321 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925485078 629552056 /nfs/dbraw/zinc/55/20/56/629552056.db2.gz APJVFGUDLNFPNN-RBUKOAKNSA-N 2 1 303.494 3.321 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834792777 629781109 /nfs/dbraw/zinc/78/11/09/629781109.db2.gz QIMCMRSWTGTIFL-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000840807919 630360961 /nfs/dbraw/zinc/36/09/61/630360961.db2.gz IGEDRKNIZXILIU-HZPDHXFCSA-N 2 1 320.477 3.224 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841028063 630398185 /nfs/dbraw/zinc/39/81/85/630398185.db2.gz KREUOUPUUAHTDJ-BZUAXINKSA-N 2 1 314.564 3.268 20 0 DGADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841051528 630402499 /nfs/dbraw/zinc/40/24/99/630402499.db2.gz PKLGWVJDMCRABX-CYBMUJFWSA-N 2 1 320.868 3.029 20 0 DGADMP Cc1cccc(NC(=O)C[N@@H+](C)CCCCCCC[NH3+])c1C ZINC000842471662 630539089 /nfs/dbraw/zinc/53/90/89/630539089.db2.gz PKNQXEWEZJEHJM-UHFFFAOYSA-N 2 1 305.466 3.083 20 0 DGADMP Clc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc(Cl)n1 ZINC000842473368 630539376 /nfs/dbraw/zinc/53/93/76/630539376.db2.gz ZUOPQKQEBXSTHB-ZDUSSCGKSA-N 2 1 314.260 3.352 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000842472753 630539757 /nfs/dbraw/zinc/53/97/57/630539757.db2.gz JZQCIMDVWYVMEB-MISYRCLQSA-N 2 1 316.489 3.354 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697200 630564694 /nfs/dbraw/zinc/56/46/94/630564694.db2.gz ONOJKMMJXCKUDD-RTBURBONSA-N 2 1 312.457 3.466 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697200 630564698 /nfs/dbraw/zinc/56/46/98/630564698.db2.gz ONOJKMMJXCKUDD-RTBURBONSA-N 2 1 312.457 3.466 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000843048655 630608542 /nfs/dbraw/zinc/60/85/42/630608542.db2.gz NVUBAXGIGXCKHQ-INIZCTEOSA-N 2 1 314.404 3.185 20 0 DGADMP C[N@@H+](Cc1c(F)cccc1N1CCCC1)C1CCC([NH3+])CC1 ZINC000843056677 630609323 /nfs/dbraw/zinc/60/93/23/630609323.db2.gz VSGVEOIEOJXTPU-UHFFFAOYSA-N 2 1 305.441 3.128 20 0 DGADMP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000843055689 630609387 /nfs/dbraw/zinc/60/93/87/630609387.db2.gz KPHXRRWGAKOBNW-UHFFFAOYSA-N 2 1 316.367 3.329 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000843128364 630617207 /nfs/dbraw/zinc/61/72/07/630617207.db2.gz JGBJCTLWDGZWCV-NWDGAFQWSA-N 2 1 306.841 3.050 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000843128877 630617236 /nfs/dbraw/zinc/61/72/36/630617236.db2.gz YFUJAPHEADLDNA-HUUCEWRRSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000843128876 630617264 /nfs/dbraw/zinc/61/72/64/630617264.db2.gz YFUJAPHEADLDNA-GJZGRUSLSA-N 2 1 307.507 3.478 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(-c2ccc(F)cc2)no1 ZINC000843361063 630649900 /nfs/dbraw/zinc/64/99/00/630649900.db2.gz SLRMQHOMJMJWCO-MQVJKMGUSA-N 2 1 315.392 3.325 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccc(F)cc2)no1 ZINC000843361063 630649901 /nfs/dbraw/zinc/64/99/01/630649901.db2.gz SLRMQHOMJMJWCO-MQVJKMGUSA-N 2 1 315.392 3.325 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386996 630651653 /nfs/dbraw/zinc/65/16/53/630651653.db2.gz PINWXGRQTXYBRR-RDBSUJKOSA-N 2 1 305.293 3.282 20 0 DGADMP COc1ccc(-c2cc(C[N@@H+](C)CCCCCC[NH3+])on2)cc1 ZINC000846218578 631215292 /nfs/dbraw/zinc/21/52/92/631215292.db2.gz ZCBROBLSQMCLAX-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000846219590 631215543 /nfs/dbraw/zinc/21/55/43/631215543.db2.gz CQUHEINRNNHLMN-WOJBJXKFSA-N 3 1 317.521 3.178 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846221105 631215714 /nfs/dbraw/zinc/21/57/14/631215714.db2.gz GQYKIGDMOSXNEE-QGZVFWFLSA-N 2 1 300.450 3.229 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000848527243 631679307 /nfs/dbraw/zinc/67/93/07/631679307.db2.gz WCYUYWZQJCZMKD-KXBFYZLASA-N 2 1 320.452 3.162 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000848884519 631770121 /nfs/dbraw/zinc/77/01/21/631770121.db2.gz MOUZLHVIHGSAOX-IBGZPJMESA-N 2 1 315.505 3.022 20 0 DGADMP CCCCNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989945 631799043 /nfs/dbraw/zinc/79/90/43/631799043.db2.gz MVPSAOQQJMNCOP-SJLPKXTDSA-N 2 1 316.493 3.201 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000848992818 631799914 /nfs/dbraw/zinc/79/99/14/631799914.db2.gz WXWKQZWZVCEQPB-HUUCEWRRSA-N 2 1 302.466 3.478 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000849009931 631806099 /nfs/dbraw/zinc/80/60/99/631806099.db2.gz LUCJTGLMEBZTAF-KCQAQPDRSA-N 2 1 308.495 3.043 20 0 DGADMP CC(C)CCNC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000849026303 631811177 /nfs/dbraw/zinc/81/11/77/631811177.db2.gz TUNILWPORBYVTN-IBGZPJMESA-N 2 1 316.493 3.059 20 0 DGADMP CCC[N@H+](C)[C@@H](CNC(=[NH2+])NC(C)C)c1ccc(Cl)cc1 ZINC000849051661 631818478 /nfs/dbraw/zinc/81/84/78/631818478.db2.gz FNBLHNDFRWAONC-HNNXBMFYSA-N 2 1 310.873 3.245 20 0 DGADMP CCC[N@@H+](C)[C@@H](CNC(=[NH2+])NC(C)C)c1ccc(Cl)cc1 ZINC000849051661 631818481 /nfs/dbraw/zinc/81/84/81/631818481.db2.gz FNBLHNDFRWAONC-HNNXBMFYSA-N 2 1 310.873 3.245 20 0 DGADMP CCCNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000849052406 631820275 /nfs/dbraw/zinc/82/02/75/631820275.db2.gz VPUTXDLRKUPLTN-OAHLLOKOSA-N 2 1 310.873 3.247 20 0 DGADMP CCCNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000849052406 631820277 /nfs/dbraw/zinc/82/02/77/631820277.db2.gz VPUTXDLRKUPLTN-OAHLLOKOSA-N 2 1 310.873 3.247 20 0 DGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000849111288 631838128 /nfs/dbraw/zinc/83/81/28/631838128.db2.gz XPWNRXJXBXPATM-INIZCTEOSA-N 2 1 302.466 3.360 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)cn1 ZINC000850424522 632148389 /nfs/dbraw/zinc/14/83/89/632148389.db2.gz FNJNEMQUQDWPSR-RYRKJORJSA-N 2 1 310.445 3.490 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000850423933 632148705 /nfs/dbraw/zinc/14/87/05/632148705.db2.gz ZRKUZVHLXHDDFZ-HUUCEWRRSA-N 2 1 300.446 3.147 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850426999 632149613 /nfs/dbraw/zinc/14/96/13/632149613.db2.gz JWXQVWVWTRPISV-HOTGVXAUSA-N 2 1 302.462 3.394 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000850516576 632177290 /nfs/dbraw/zinc/17/72/90/632177290.db2.gz MTNAAEQLLSRVAT-UIAACRFSSA-N 2 1 312.457 3.193 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000851791749 632494822 /nfs/dbraw/zinc/49/48/22/632494822.db2.gz COYNBSZGYDUKBZ-IPMKNSEASA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000851791749 632494824 /nfs/dbraw/zinc/49/48/24/632494824.db2.gz COYNBSZGYDUKBZ-IPMKNSEASA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000851791749 632494829 /nfs/dbraw/zinc/49/48/29/632494829.db2.gz COYNBSZGYDUKBZ-IPMKNSEASA-N 2 1 302.462 3.008 20 0 DGADMP Cc1ccc([C@@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852115561 632558383 /nfs/dbraw/zinc/55/83/83/632558383.db2.gz QMKFHDAXZGVKQT-NRFANRHFSA-N 2 1 324.468 3.283 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCC1 ZINC000185276426 660212941 /nfs/dbraw/zinc/21/29/41/660212941.db2.gz GYDWGBPMCFHAJR-GFCCVEGCSA-N 2 1 311.813 3.070 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000453106427 660484986 /nfs/dbraw/zinc/48/49/86/660484986.db2.gz JFHFOWWDQRVWDG-MSOLQXFVSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H](c1ncccn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929264420 660483531 /nfs/dbraw/zinc/48/35/31/660483531.db2.gz SCLYRFQGJOMRFS-INIZCTEOSA-N 2 1 302.466 3.126 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C12CCC2 ZINC000453194864 660485926 /nfs/dbraw/zinc/48/59/26/660485926.db2.gz IMSNCNSHJBDZOJ-XYVMCAHJSA-N 2 1 306.494 3.187 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C(C)C)CC1 ZINC001034775924 660790693 /nfs/dbraw/zinc/79/06/93/660790693.db2.gz VNLPNARNAJUELA-BZSNNMDCSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955887 660915531 /nfs/dbraw/zinc/91/55/31/660915531.db2.gz DLHWWHRTOPDBOX-NEPJUHHUSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955887 660915533 /nfs/dbraw/zinc/91/55/33/660915533.db2.gz DLHWWHRTOPDBOX-NEPJUHHUSA-N 2 1 309.251 3.153 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cscc1Br ZINC000709979664 660931464 /nfs/dbraw/zinc/93/14/64/660931464.db2.gz JEFWQSBNJVQSKX-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC3(F)CC3)cc2)CC1 ZINC000792869986 660989984 /nfs/dbraw/zinc/98/99/84/660989984.db2.gz DPBFKFYGNGBMOO-UHFFFAOYSA-N 2 1 305.441 3.379 20 0 DGADMP CCOCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000793338353 661025446 /nfs/dbraw/zinc/02/54/46/661025446.db2.gz WUJRDQRBDRYUPU-UHFFFAOYSA-N 2 1 318.461 3.166 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cn3ccc(=S)c4ccccc43)C2)C1 ZINC000793771028 661056691 /nfs/dbraw/zinc/05/66/91/661056691.db2.gz XTMPVFOPVPTSTO-GOSISDBHSA-N 2 1 313.470 3.356 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cn3ccc(=S)c4ccccc43)C2)C1 ZINC000793771028 661056693 /nfs/dbraw/zinc/05/66/93/661056693.db2.gz XTMPVFOPVPTSTO-GOSISDBHSA-N 2 1 313.470 3.356 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cn3ccc(=S)c4ccccc43)C2)C1 ZINC000793771028 661056696 /nfs/dbraw/zinc/05/66/96/661056696.db2.gz XTMPVFOPVPTSTO-GOSISDBHSA-N 2 1 313.470 3.356 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000932335427 655536846 /nfs/dbraw/zinc/53/68/46/655536846.db2.gz KUCPVRIOPSIIOB-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067453010 655584375 /nfs/dbraw/zinc/58/43/75/655584375.db2.gz VTCDITPHLJRBRM-CALCHBBNSA-N 2 1 320.477 3.064 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(C)C ZINC000073381077 655607827 /nfs/dbraw/zinc/60/78/27/655607827.db2.gz IKPYFNRJMHZLAF-UHFFFAOYSA-N 2 1 318.461 3.199 20 0 DGADMP Cc1csc(C[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000933129862 655684790 /nfs/dbraw/zinc/68/47/90/655684790.db2.gz NQOCPTOSHJBJQJ-INIZCTEOSA-N 2 1 307.507 3.192 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000261923315 655699150 /nfs/dbraw/zinc/69/91/50/655699150.db2.gz BWELOHWGNWRYAC-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP C[N@@H+](CCC[NH2+]CC1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000795890272 661177596 /nfs/dbraw/zinc/17/75/96/661177596.db2.gz OMCPQXKPEYZOEF-UHFFFAOYSA-N 2 1 324.509 3.164 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Br)C[C@H]1CC[NH3+] ZINC000723907107 655729514 /nfs/dbraw/zinc/72/95/14/655729514.db2.gz HMFDESHHUVKERV-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735394 655731352 /nfs/dbraw/zinc/73/13/52/655731352.db2.gz XHUNKCSBWHBLDZ-ZRNYENFQSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735394 655731353 /nfs/dbraw/zinc/73/13/53/655731353.db2.gz XHUNKCSBWHBLDZ-ZRNYENFQSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735394 655731355 /nfs/dbraw/zinc/73/13/55/655731355.db2.gz XHUNKCSBWHBLDZ-ZRNYENFQSA-N 2 1 314.473 3.180 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000934320915 655767484 /nfs/dbraw/zinc/76/74/84/655767484.db2.gz PICMIWMTAJMZFW-QGZVFWFLSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000934320915 655767485 /nfs/dbraw/zinc/76/74/85/655767485.db2.gz PICMIWMTAJMZFW-QGZVFWFLSA-N 2 1 312.461 3.182 20 0 DGADMP CC(C)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCC(C)CC1 ZINC000161280392 655778211 /nfs/dbraw/zinc/77/82/11/655778211.db2.gz LNVLVJCOHIMEAG-SFHVURJKSA-N 2 1 324.509 3.018 20 0 DGADMP C[N@@H+](Cc1cc(Br)ccc1F)C1CCC([NH3+])CC1 ZINC000091844740 655845503 /nfs/dbraw/zinc/84/55/03/655845503.db2.gz XCCASTZSFYLFJM-UHFFFAOYSA-N 2 1 315.230 3.290 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309719956 655877239 /nfs/dbraw/zinc/87/72/39/655877239.db2.gz LYHCVBUDVHYYAR-ZCNNSNEGSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001025005158 655955636 /nfs/dbraw/zinc/95/56/36/655955636.db2.gz HDDLDVFGODDJBU-QGZVFWFLSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NC1CCCCCC1 ZINC000092277413 656095286 /nfs/dbraw/zinc/09/52/86/656095286.db2.gz IHTRLYFFLPZRSJ-INIZCTEOSA-N 2 1 308.514 3.268 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000313604189 656297017 /nfs/dbraw/zinc/29/70/17/656297017.db2.gz AYUPXOAZFCSGJQ-DZFGPLHGSA-N 2 1 324.468 3.363 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000313604189 656297021 /nfs/dbraw/zinc/29/70/21/656297021.db2.gz AYUPXOAZFCSGJQ-DZFGPLHGSA-N 2 1 324.468 3.363 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000717586163 661265724 /nfs/dbraw/zinc/26/57/24/661265724.db2.gz GXIVPDASBQFHJW-UHFFFAOYSA-N 3 1 317.521 3.350 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cnn(-c2ccccc2)c1 ZINC000317326363 656607482 /nfs/dbraw/zinc/60/74/82/656607482.db2.gz POYDFRBJFDHMNF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000261551309 656905384 /nfs/dbraw/zinc/90/53/84/656905384.db2.gz MCJSLCFFWGIDOC-CGRMTHRGSA-N 2 1 321.468 3.384 20 0 DGADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC(F)F ZINC000261918668 657182411 /nfs/dbraw/zinc/18/24/11/657182411.db2.gz BJHJUVVFBYIBJA-UHFFFAOYSA-N 2 1 314.351 3.003 20 0 DGADMP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC000895376869 657443626 /nfs/dbraw/zinc/44/36/26/657443626.db2.gz CRTVQMOGQSNGHM-HNAYVOBHSA-N 2 1 317.477 3.197 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882632 657509574 /nfs/dbraw/zinc/50/95/74/657509574.db2.gz RBXMQXYFMMNHPZ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000262388452 657540237 /nfs/dbraw/zinc/54/02/37/657540237.db2.gz ZNJQLHMMECQLGG-QLFBSQMISA-N 2 1 310.388 3.298 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@](C)(O)c3ccco3)CC2)C1 ZINC000305147187 657687800 /nfs/dbraw/zinc/68/78/00/657687800.db2.gz NTHMTLUCEQHYMS-SZVBFZGTSA-N 2 1 320.477 3.120 20 0 DGADMP CCC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963433356 658215966 /nfs/dbraw/zinc/21/59/66/658215966.db2.gz NIOTUBUVGCEUSE-ABHNRTSZSA-N 2 1 323.525 3.019 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 ZINC000720883909 658228656 /nfs/dbraw/zinc/22/86/56/658228656.db2.gz YWNDSWYNRFUTKS-YZGWKJHDSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764472 658404702 /nfs/dbraw/zinc/40/47/02/658404702.db2.gz DGLNECLPRCIDAE-JSGCOSHPSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCC1CC1 ZINC000261764472 658404704 /nfs/dbraw/zinc/40/47/04/658404704.db2.gz DGLNECLPRCIDAE-JSGCOSHPSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)C[NH+]1CCCC1 ZINC000322591901 658540860 /nfs/dbraw/zinc/54/08/60/658540860.db2.gz KDJTUSSPHSDCON-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683186 658561889 /nfs/dbraw/zinc/56/18/89/658561889.db2.gz HJZXWNCWVAGWEB-VDZJLULYSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683186 658561893 /nfs/dbraw/zinc/56/18/93/658561893.db2.gz HJZXWNCWVAGWEB-VDZJLULYSA-N 2 1 310.445 3.150 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ncc(Cl)c1C ZINC000156613544 658931210 /nfs/dbraw/zinc/93/12/10/658931210.db2.gz OVVPLFBIQVNZPX-UHFFFAOYSA-N 2 1 320.868 3.386 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ncc(Cl)c1C ZINC000156613544 658931213 /nfs/dbraw/zinc/93/12/13/658931213.db2.gz OVVPLFBIQVNZPX-UHFFFAOYSA-N 2 1 320.868 3.386 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCC2(CC2)CC1 ZINC000930061081 659902389 /nfs/dbraw/zinc/90/23/89/659902389.db2.gz PUWCFEQWRFNKSJ-KZNAEPCWSA-N 2 1 306.494 3.140 20 0 DGADMP c1c[nH+]c(C2CC[NH+](Cc3cnc(-c4ccccc4)o3)CC2)[nH]1 ZINC000929803841 661340337 /nfs/dbraw/zinc/34/03/37/661340337.db2.gz OQINRRPBAHBUAX-UHFFFAOYSA-N 2 1 308.385 3.444 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848719 661344351 /nfs/dbraw/zinc/34/43/51/661344351.db2.gz UBCFNJKSEFIIPU-WMZOPIPTSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848719 661344353 /nfs/dbraw/zinc/34/43/53/661344353.db2.gz UBCFNJKSEFIIPU-WMZOPIPTSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848719 661344356 /nfs/dbraw/zinc/34/43/56/661344356.db2.gz UBCFNJKSEFIIPU-WMZOPIPTSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848719 661344357 /nfs/dbraw/zinc/34/43/57/661344357.db2.gz UBCFNJKSEFIIPU-WMZOPIPTSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000929848719 661344360 /nfs/dbraw/zinc/34/43/60/661344360.db2.gz UBCFNJKSEFIIPU-WMZOPIPTSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)CC1 ZINC000930309082 661387374 /nfs/dbraw/zinc/38/73/74/661387374.db2.gz FTEQEIROUWENKF-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C1CC(OCc3ccccc3)C1)C2 ZINC000930602481 661414547 /nfs/dbraw/zinc/41/45/47/661414547.db2.gz UKGARYLPCKUHNU-MHJFOBGBSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931352703 661469906 /nfs/dbraw/zinc/46/99/06/661469906.db2.gz QVXWNBXRTFQOEE-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C(C)C)c2C1 ZINC000931725674 661502552 /nfs/dbraw/zinc/50/25/52/661502552.db2.gz CDUJUJIVUYZMRJ-GOSISDBHSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C(C)C)c2C1 ZINC000931725674 661502554 /nfs/dbraw/zinc/50/25/54/661502554.db2.gz CDUJUJIVUYZMRJ-GOSISDBHSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)c2C1 ZINC000931725674 661502557 /nfs/dbraw/zinc/50/25/57/661502557.db2.gz CDUJUJIVUYZMRJ-GOSISDBHSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C(C)C)c2C1 ZINC000931725674 661502559 /nfs/dbraw/zinc/50/25/59/661502559.db2.gz CDUJUJIVUYZMRJ-GOSISDBHSA-N 2 1 315.461 3.224 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931807793 661511402 /nfs/dbraw/zinc/51/14/02/661511402.db2.gz APIKBUVUGWXAHQ-IEBWSBKVSA-N 2 1 312.457 3.118 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931807793 661511403 /nfs/dbraw/zinc/51/14/03/661511403.db2.gz APIKBUVUGWXAHQ-IEBWSBKVSA-N 2 1 312.457 3.118 20 0 DGADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000933550698 661640506 /nfs/dbraw/zinc/64/05/06/661640506.db2.gz VLIYFPHFJVBXBQ-LJQANCHMSA-N 2 1 314.473 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934832206 661737935 /nfs/dbraw/zinc/73/79/35/661737935.db2.gz AATFWWBRKYFTCD-MSOLQXFVSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934832206 661737937 /nfs/dbraw/zinc/73/79/37/661737937.db2.gz AATFWWBRKYFTCD-MSOLQXFVSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1ccc([C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000075713406 661944536 /nfs/dbraw/zinc/94/45/36/661944536.db2.gz IJORQCLTIAINDB-IBGZPJMESA-N 2 1 304.478 3.081 20 0 DGADMP C[NH+]1CCC(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000190956287 662050598 /nfs/dbraw/zinc/05/05/98/662050598.db2.gz PMIBVRIUCVRFSO-UHFFFAOYSA-N 2 1 300.805 3.006 20 0 DGADMP Brc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000084746309 662203352 /nfs/dbraw/zinc/20/33/52/662203352.db2.gz ZGUAMOKURJAQNW-UHFFFAOYSA-N 2 1 309.251 3.025 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719500424 662290766 /nfs/dbraw/zinc/29/07/66/662290766.db2.gz MHROXMXODOAMRX-SNVBAGLBSA-N 2 1 317.658 3.273 20 0 DGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(C)C ZINC000378897612 685146220 /nfs/dbraw/zinc/14/62/20/685146220.db2.gz VKUHOTLPXOXBNL-IAGOWNOFSA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(C)C ZINC000378897612 685146224 /nfs/dbraw/zinc/14/62/24/685146224.db2.gz VKUHOTLPXOXBNL-IAGOWNOFSA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(C)C ZINC000378897612 685146227 /nfs/dbraw/zinc/14/62/27/685146227.db2.gz VKUHOTLPXOXBNL-IAGOWNOFSA-N 2 1 318.461 3.199 20 0 DGADMP COC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379633377 685148819 /nfs/dbraw/zinc/14/88/19/685148819.db2.gz UERWLFSLGXZEKG-WMZOPIPTSA-N 2 1 304.478 3.444 20 0 DGADMP COC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379633377 685148826 /nfs/dbraw/zinc/14/88/26/685148826.db2.gz UERWLFSLGXZEKG-WMZOPIPTSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381888720 685160915 /nfs/dbraw/zinc/16/09/15/685160915.db2.gz QXWYQPFWORWKPQ-QXAKKESOSA-N 2 1 300.446 3.179 20 0 DGADMP C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386048715 685176560 /nfs/dbraw/zinc/17/65/60/685176560.db2.gz UZJVSDRYVHFTRL-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C1CCC([NH3+])CC1 ZINC000388663348 685189486 /nfs/dbraw/zinc/18/94/86/685189486.db2.gz QXRBJHNOCGHEDO-UHFFFAOYSA-N 2 1 320.824 3.092 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC001576591783 1191849409 /nfs/dbraw/zinc/84/94/09/1191849409.db2.gz JZZHGEBHUSXNLU-ZIFCJYIRSA-N 2 1 303.494 3.034 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC001576591783 1191849415 /nfs/dbraw/zinc/84/94/15/1191849415.db2.gz JZZHGEBHUSXNLU-ZIFCJYIRSA-N 2 1 303.494 3.034 20 0 DGADMP C[C@@H]1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC001576598843 1191850329 /nfs/dbraw/zinc/85/03/29/1191850329.db2.gz OOPDGEXYGVFNLJ-XNFNUYLZSA-N 2 1 316.489 3.315 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC001576649990 1191859801 /nfs/dbraw/zinc/85/98/01/1191859801.db2.gz VPDJURAKOXKXEU-ZIFCJYIRSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C[C@@H]1C[NH3+] ZINC001576735239 1191866059 /nfs/dbraw/zinc/86/60/59/1191866059.db2.gz YBYHTSQGZUNLIR-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1C[NH3+] ZINC001576809174 1191870434 /nfs/dbraw/zinc/87/04/34/1191870434.db2.gz OQTVYYKIRIPBKQ-YLJYHZDGSA-N 3 1 315.505 3.089 20 0 DGADMP CC[C@](C)(O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001576959026 1191877502 /nfs/dbraw/zinc/87/75/02/1191877502.db2.gz BAKJYIFOVUJUMT-MJGOQNOKSA-N 2 1 304.478 3.039 20 0 DGADMP CCC(CC)n1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001577077657 1191883415 /nfs/dbraw/zinc/88/34/15/1191883415.db2.gz UQLCPFRZZJGLAK-UHFFFAOYSA-N 2 1 304.482 3.210 20 0 DGADMP CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001577312423 1191893051 /nfs/dbraw/zinc/89/30/51/1191893051.db2.gz DPDDTGXSVJATQN-YOEHRIQHSA-N 2 1 318.461 3.013 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H]1C[NH2+]C[C@H](C)C1)c1ccc(Cl)cc1 ZINC001577495368 1191905448 /nfs/dbraw/zinc/90/54/48/1191905448.db2.gz GUSMQASIEJSVKO-ZTFGCOKTSA-N 2 1 323.912 3.311 20 0 DGADMP CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)CC1CC[NH2+]CC1 ZINC001577743600 1191914612 /nfs/dbraw/zinc/91/46/12/1191914612.db2.gz WYLSGIXSVBZCPW-CYBMUJFWSA-N 2 1 307.507 3.089 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001578179461 1191929648 /nfs/dbraw/zinc/92/96/48/1191929648.db2.gz LIUFDLCPZIPJNX-LBPRGKRZSA-N 2 1 324.774 3.151 20 0 DGADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001578477490 1191945458 /nfs/dbraw/zinc/94/54/58/1191945458.db2.gz UYWPDJVUBPXJAY-UHFFFAOYSA-N 2 1 318.848 3.414 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c2ccccc12)C1(C[NH3+])CCOCC1 ZINC001578489444 1191946764 /nfs/dbraw/zinc/94/67/64/1191946764.db2.gz PKCVYAFKPZBLQX-UHFFFAOYSA-N 2 1 318.848 3.433 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c2ccccc12)C1(C[NH3+])CCOCC1 ZINC001578489444 1191946765 /nfs/dbraw/zinc/94/67/65/1191946765.db2.gz PKCVYAFKPZBLQX-UHFFFAOYSA-N 2 1 318.848 3.433 20 0 DGADMP COCC1(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCC1 ZINC001578981331 1191963894 /nfs/dbraw/zinc/96/38/94/1191963894.db2.gz DDWGAQKCKIRHBK-AEFFLSMTSA-N 2 1 308.510 3.423 20 0 DGADMP C[C@@H]1C[N@@H+](CCOC2CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001620543022 1191976433 /nfs/dbraw/zinc/97/64/33/1191976433.db2.gz PURWMOVPSLQUAO-QGZVFWFLSA-N 2 1 317.477 3.332 20 0 DGADMP Cc1n[nH]c(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514386 1191978460 /nfs/dbraw/zinc/97/84/60/1191978460.db2.gz OCTLBCDAAPEXGW-WBVHZDCISA-N 2 1 304.482 3.146 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC001579549714 1191979648 /nfs/dbraw/zinc/97/96/48/1191979648.db2.gz AIIKDPXNPHDGNE-RYUDHWBXSA-N 2 1 315.280 3.179 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001579548517 1191979710 /nfs/dbraw/zinc/97/97/10/1191979710.db2.gz WJQSWUKZRUQQBW-FXAWDEMLSA-N 2 1 324.472 3.145 20 0 DGADMP Fc1cccc(CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C2CCCC2)c1 ZINC001580033173 1192004189 /nfs/dbraw/zinc/00/41/89/1192004189.db2.gz BDSGSGDQGYJKAX-APWZRJJASA-N 2 1 302.437 3.222 20 0 DGADMP [NH3+]C[C@@H]1CCCC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001580260814 1192017056 /nfs/dbraw/zinc/01/70/56/1192017056.db2.gz SFKGTPBOIYUCJV-ZDUSSCGKSA-N 2 1 310.388 3.011 20 0 DGADMP c1[nH]c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001580891636 1192044554 /nfs/dbraw/zinc/04/45/54/1192044554.db2.gz DJQKLBVNZNSQCC-ZWKOTPCHSA-N 2 1 324.472 3.288 20 0 DGADMP COc1cc(C)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC001620724793 1192076825 /nfs/dbraw/zinc/07/68/25/1192076825.db2.gz KBXXXXIDMAODAV-HNNXBMFYSA-N 2 1 319.493 3.309 20 0 DGADMP COc1ccc(SCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001663691442 1196929258 /nfs/dbraw/zinc/92/92/58/1196929258.db2.gz ZYWVWRUTDQWCHO-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP COc1ccc(SCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001663691442 1196929261 /nfs/dbraw/zinc/92/92/61/1196929261.db2.gz ZYWVWRUTDQWCHO-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC(C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001663864629 1196952004 /nfs/dbraw/zinc/95/20/04/1196952004.db2.gz AXRQLPJXIVHAPI-UHFFFAOYSA-N 2 1 314.376 3.158 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCCC(=O)OC(C)(C)C ZINC001620898705 1192563348 /nfs/dbraw/zinc/56/33/48/1192563348.db2.gz CCAIPGDUJJDJQQ-UHFFFAOYSA-N 2 1 321.465 3.139 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(Br)s2)CC1 ZINC000230170697 1176500102 /nfs/dbraw/zinc/50/01/02/1176500102.db2.gz CINHUHBFIUDSPN-NSHDSACASA-N 2 1 317.296 3.127 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000252920184 1176601824 /nfs/dbraw/zinc/60/18/24/1176601824.db2.gz FKQREWFNSSAFDW-KGLIPLIRSA-N 2 1 302.340 3.287 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000252920184 1176601830 /nfs/dbraw/zinc/60/18/30/1176601830.db2.gz FKQREWFNSSAFDW-KGLIPLIRSA-N 2 1 302.340 3.287 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001691475403 1176632382 /nfs/dbraw/zinc/63/23/82/1176632382.db2.gz QBGITTHUEVKJHQ-RCCFBDPRSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001691475403 1176632386 /nfs/dbraw/zinc/63/23/86/1176632386.db2.gz QBGITTHUEVKJHQ-RCCFBDPRSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001691475403 1176632391 /nfs/dbraw/zinc/63/23/91/1176632391.db2.gz QBGITTHUEVKJHQ-RCCFBDPRSA-N 2 1 323.525 3.019 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(CC2CCCC2)CC1 ZINC001167826119 1176835924 /nfs/dbraw/zinc/83/59/24/1176835924.db2.gz MMZNXYLCPDUPPB-GOSISDBHSA-N 2 1 309.542 3.305 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168149563 1176838367 /nfs/dbraw/zinc/83/83/67/1176838367.db2.gz BSWUCCLIRZVEGC-CYBMUJFWSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168149563 1176838376 /nfs/dbraw/zinc/83/83/76/1176838376.db2.gz BSWUCCLIRZVEGC-CYBMUJFWSA-N 2 1 316.367 3.249 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001620994611 1192778208 /nfs/dbraw/zinc/77/82/08/1192778208.db2.gz OBPURYFQTCDJDL-UHFFFAOYSA-N 2 1 303.425 3.441 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001620994611 1192778212 /nfs/dbraw/zinc/77/82/12/1192778212.db2.gz OBPURYFQTCDJDL-UHFFFAOYSA-N 2 1 303.425 3.441 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168460786 1177226061 /nfs/dbraw/zinc/22/60/61/1177226061.db2.gz OYIMDGTZXQCDNB-STQMWFEESA-N 2 1 316.367 3.390 20 0 DGADMP CC(C)n1ncc2c1[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277468 1178172090 /nfs/dbraw/zinc/17/20/90/1178172090.db2.gz MSEPLJBJGFWPNC-JKSUJKDBSA-N 2 1 304.482 3.304 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277468 1178172097 /nfs/dbraw/zinc/17/20/97/1178172097.db2.gz MSEPLJBJGFWPNC-JKSUJKDBSA-N 2 1 304.482 3.304 20 0 DGADMP c1csc(-c2cnc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)o2)c1 ZINC001332520253 1178459933 /nfs/dbraw/zinc/45/99/33/1178459933.db2.gz QYQNZZICHICDTK-UHFFFAOYSA-N 2 1 317.458 3.369 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC001332834869 1178504457 /nfs/dbraw/zinc/50/44/57/1178504457.db2.gz WMUJYLSOAXWALP-WMZOPIPTSA-N 3 1 303.494 3.131 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4c(s3)CCCC4)C[C@H]2C1 ZINC001333839719 1178683719 /nfs/dbraw/zinc/68/37/19/1178683719.db2.gz BNYCJVZOIOPCQM-RBSFLKMASA-N 2 1 319.518 3.184 20 0 DGADMP C[C@H](C[NH+]1CCC([NH2+]C2CCOCC2)CC1)c1ccc(F)cc1 ZINC001334401043 1178759826 /nfs/dbraw/zinc/75/98/26/1178759826.db2.gz BQAPUVCEUKRQRA-OAHLLOKOSA-N 2 1 320.452 3.162 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@H]2C1 ZINC001335133062 1178858600 /nfs/dbraw/zinc/85/86/00/1178858600.db2.gz CZIHTLOHECPQQG-YQVWRLOYSA-N 2 1 309.457 3.397 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC001335209813 1178870890 /nfs/dbraw/zinc/87/08/90/1178870890.db2.gz DUCDGMUNOMTSJK-AOIWGVFYSA-N 2 1 301.478 3.114 20 0 DGADMP COC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001335382605 1178903060 /nfs/dbraw/zinc/90/30/60/1178903060.db2.gz PHESHUYRWSIFDY-BXWFABGCSA-N 2 1 302.462 3.010 20 0 DGADMP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c(C)c1Br ZINC001335468743 1178916614 /nfs/dbraw/zinc/91/66/14/1178916614.db2.gz UMPXFDAWABAZNX-UHFFFAOYSA-N 2 1 323.238 3.184 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCC(F)F)CC2)cc1 ZINC001335500606 1178921827 /nfs/dbraw/zinc/92/18/27/1178921827.db2.gz SBAPQLFIPNUUPX-UHFFFAOYSA-N 2 1 314.395 3.468 20 0 DGADMP Fc1ccc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC001342120189 1179106220 /nfs/dbraw/zinc/10/62/20/1179106220.db2.gz VGKOVBWUDIILQU-DNVCBOLYSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120189 1179106234 /nfs/dbraw/zinc/10/62/34/1179106234.db2.gz VGKOVBWUDIILQU-DNVCBOLYSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120189 1179106240 /nfs/dbraw/zinc/10/62/40/1179106240.db2.gz VGKOVBWUDIILQU-DNVCBOLYSA-N 2 1 320.427 3.456 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)nc3)C[C@H]2C1 ZINC001343333543 1179258144 /nfs/dbraw/zinc/25/81/44/1179258144.db2.gz POYCNOGJXWFITB-RRFJBIMHSA-N 2 1 309.404 3.181 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343335932 1179258607 /nfs/dbraw/zinc/25/86/07/1179258607.db2.gz YXPDBPWJAFGQEV-BBWFWOEESA-N 2 1 324.472 3.100 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC001344041707 1179368944 /nfs/dbraw/zinc/36/89/44/1179368944.db2.gz SMMLBDLVRCYGQW-SJORKVTESA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC001344041707 1179368951 /nfs/dbraw/zinc/36/89/51/1179368951.db2.gz SMMLBDLVRCYGQW-SJORKVTESA-N 2 1 310.457 3.204 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001345481440 1179565370 /nfs/dbraw/zinc/56/53/70/1179565370.db2.gz BVBYEVBIVNTKRM-IPJUCJBFSA-N 3 1 303.494 3.017 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1CCC(F)(F)CC1 ZINC001349673679 1179930787 /nfs/dbraw/zinc/93/07/87/1179930787.db2.gz MWRWUKIRMBCCRA-UHFFFAOYSA-N 2 1 318.452 3.102 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC001351989692 1180274527 /nfs/dbraw/zinc/27/45/27/1180274527.db2.gz HFSUJAPKTXHQDQ-KBXCAEBGSA-N 2 1 311.429 3.164 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+](C)CCCCCC[NH3+])cc2)cn1 ZINC001352178296 1180305836 /nfs/dbraw/zinc/30/58/36/1180305836.db2.gz KUXIVOKQBWYZHO-UHFFFAOYSA-N 2 1 300.450 3.038 20 0 DGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC001356623020 1181225093 /nfs/dbraw/zinc/22/50/93/1181225093.db2.gz WOXIFAHFHCHQQD-CRAIPNDOSA-N 2 1 322.880 3.085 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@@H]2C1 ZINC001651697959 1195497815 /nfs/dbraw/zinc/49/78/15/1195497815.db2.gz LZCFXSJZFWWEMS-TUAOUCFPSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@@H]2C1 ZINC001651697959 1195497818 /nfs/dbraw/zinc/49/78/18/1195497818.db2.gz LZCFXSJZFWWEMS-TUAOUCFPSA-N 2 1 304.381 3.197 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001364331963 1181679526 /nfs/dbraw/zinc/67/95/26/1181679526.db2.gz PBMWCVHUFQCXJS-OAHLLOKOSA-N 2 1 313.445 3.104 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001364331963 1181679529 /nfs/dbraw/zinc/67/95/29/1181679529.db2.gz PBMWCVHUFQCXJS-OAHLLOKOSA-N 2 1 313.445 3.104 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(Br)cc1F ZINC001579601757 1181830636 /nfs/dbraw/zinc/83/06/36/1181830636.db2.gz ZJSPGGRAQAKQKJ-NEPJUHHUSA-N 2 1 315.230 3.256 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CCCCC1 ZINC001437422167 1181934716 /nfs/dbraw/zinc/93/47/16/1181934716.db2.gz YICSAFSEVRQPNB-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001437422167 1181934724 /nfs/dbraw/zinc/93/47/24/1181934724.db2.gz YICSAFSEVRQPNB-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001437422167 1181934730 /nfs/dbraw/zinc/93/47/30/1181934730.db2.gz YICSAFSEVRQPNB-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001452748637 1182299287 /nfs/dbraw/zinc/29/92/87/1182299287.db2.gz OKINNRXKGUAVIY-GOSISDBHSA-N 2 1 324.428 3.060 20 0 DGADMP C[N@@H+]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1C(C)(C)C ZINC001458556596 1182539852 /nfs/dbraw/zinc/53/98/52/1182539852.db2.gz LXHLLRTXOHLSPO-ZDUSSCGKSA-N 2 1 301.356 3.267 20 0 DGADMP C[N@H+]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1C(C)(C)C ZINC001458556596 1182539855 /nfs/dbraw/zinc/53/98/55/1182539855.db2.gz LXHLLRTXOHLSPO-ZDUSSCGKSA-N 2 1 301.356 3.267 20 0 DGADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001459382122 1182583936 /nfs/dbraw/zinc/58/39/36/1182583936.db2.gz AQIKFFVWBLKONT-RBUKOAKNSA-N 2 1 310.526 3.491 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1c1cccc(C)c1 ZINC001459539146 1182592165 /nfs/dbraw/zinc/59/21/65/1182592165.db2.gz JPSBNCKWKXEMSP-MOPGFXCFSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC001459539146 1182592170 /nfs/dbraw/zinc/59/21/70/1182592170.db2.gz JPSBNCKWKXEMSP-MOPGFXCFSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC001459539146 1182592175 /nfs/dbraw/zinc/59/21/75/1182592175.db2.gz JPSBNCKWKXEMSP-MOPGFXCFSA-N 2 1 304.478 3.225 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC001459823927 1182619190 /nfs/dbraw/zinc/61/91/90/1182619190.db2.gz FMPQVSALPINLAF-PMACEKPBSA-N 2 1 318.505 3.238 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001459919465 1182629672 /nfs/dbraw/zinc/62/96/72/1182629672.db2.gz BZWJNXUISZSYOF-PXNSSMCTSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001459919465 1182629675 /nfs/dbraw/zinc/62/96/75/1182629675.db2.gz BZWJNXUISZSYOF-PXNSSMCTSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460568472 1182696791 /nfs/dbraw/zinc/69/67/91/1182696791.db2.gz LLPUEKSFWNSYOI-YJBOKZPZSA-N 2 1 320.477 3.158 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCc2c1cccc2F ZINC001460802807 1182725313 /nfs/dbraw/zinc/72/53/13/1182725313.db2.gz UYZUAZSDXWCRJP-KUHUBIRLSA-N 2 1 311.404 3.419 20 0 DGADMP COCC[N@H+](C)CCC[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001461053714 1182761958 /nfs/dbraw/zinc/76/19/58/1182761958.db2.gz CPLDGWYDQMUYIG-VURMDHGXSA-N 2 1 304.478 3.183 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001461053714 1182761960 /nfs/dbraw/zinc/76/19/60/1182761960.db2.gz CPLDGWYDQMUYIG-VURMDHGXSA-N 2 1 304.478 3.183 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC001461122893 1182770364 /nfs/dbraw/zinc/77/03/64/1182770364.db2.gz SXXVQGDFUOOKGZ-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC001461233714 1182783345 /nfs/dbraw/zinc/78/33/45/1182783345.db2.gz RYUYXCDTRFKXMV-UHFFFAOYSA-N 2 1 317.824 3.063 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1C ZINC001461833042 1182865051 /nfs/dbraw/zinc/86/50/51/1182865051.db2.gz CQOOBMWPIZRMMU-CQSZACIVSA-N 2 1 308.466 3.222 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC001461829365 1182865632 /nfs/dbraw/zinc/86/56/32/1182865632.db2.gz JWVWARZSJNJOJU-TUKIKUTGSA-N 2 1 319.499 3.301 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001653049112 1195684424 /nfs/dbraw/zinc/68/44/24/1195684424.db2.gz NDZQFJVWEXLMHW-QZTJIDSGSA-N 2 1 306.494 3.455 20 0 DGADMP COc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC001462079456 1182905606 /nfs/dbraw/zinc/90/56/06/1182905606.db2.gz JECBAUGOCGIGGN-JKSUJKDBSA-N 2 1 317.477 3.141 20 0 DGADMP COc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C ZINC001462079456 1182905610 /nfs/dbraw/zinc/90/56/10/1182905610.db2.gz JECBAUGOCGIGGN-JKSUJKDBSA-N 2 1 317.477 3.141 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(O)cc(Cl)c3)C2)CC1 ZINC001462202108 1182923922 /nfs/dbraw/zinc/92/39/22/1182923922.db2.gz QRDRTNSASXBPJL-HNNXBMFYSA-N 2 1 308.853 3.209 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462308874 1182936121 /nfs/dbraw/zinc/93/61/21/1182936121.db2.gz XVURGEOUZLIMLB-BMFAXAFESA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462308874 1182936122 /nfs/dbraw/zinc/93/61/22/1182936122.db2.gz XVURGEOUZLIMLB-BMFAXAFESA-N 2 1 324.509 3.208 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](SCC[NH+]3CCCC3)C2)cc1 ZINC001473049401 1183710140 /nfs/dbraw/zinc/71/01/40/1183710140.db2.gz XFKQAQBYQTUGCG-SFHVURJKSA-N 2 1 304.503 3.480 20 0 DGADMP CC[C@@]1(C)CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001473185744 1183725959 /nfs/dbraw/zinc/72/59/59/1183725959.db2.gz HWIALLVHVKSYEJ-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185744 1183725962 /nfs/dbraw/zinc/72/59/62/1183725962.db2.gz HWIALLVHVKSYEJ-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185744 1183725969 /nfs/dbraw/zinc/72/59/69/1183725969.db2.gz HWIALLVHVKSYEJ-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473185744 1183725973 /nfs/dbraw/zinc/72/59/73/1183725973.db2.gz HWIALLVHVKSYEJ-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@]1(C)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473185744 1183725976 /nfs/dbraw/zinc/72/59/76/1183725976.db2.gz HWIALLVHVKSYEJ-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCCC(F)(F)F)[C@H](C)C1 ZINC001473406193 1183754218 /nfs/dbraw/zinc/75/42/18/1183754218.db2.gz FSIWMFFABHYJJA-HUUCEWRRSA-N 2 1 324.431 3.446 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634882 1183783567 /nfs/dbraw/zinc/78/35/67/1183783567.db2.gz WWQLWEPAWYMWBM-WMZOPIPTSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634882 1183783570 /nfs/dbraw/zinc/78/35/70/1183783570.db2.gz WWQLWEPAWYMWBM-WMZOPIPTSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634882 1183783574 /nfs/dbraw/zinc/78/35/74/1183783574.db2.gz WWQLWEPAWYMWBM-WMZOPIPTSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001473634882 1183783576 /nfs/dbraw/zinc/78/35/76/1183783576.db2.gz WWQLWEPAWYMWBM-WMZOPIPTSA-N 2 1 324.896 3.050 20 0 DGADMP Cc1ccc(C)c(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001473862653 1183814498 /nfs/dbraw/zinc/81/44/98/1183814498.db2.gz INFMEQHPRHWUQN-IBGZPJMESA-N 2 1 318.505 3.184 20 0 DGADMP Cc1ccc(C)c(C2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001473862653 1183814505 /nfs/dbraw/zinc/81/45/05/1183814505.db2.gz INFMEQHPRHWUQN-IBGZPJMESA-N 2 1 318.505 3.184 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCCCOC(C)(C)C)C[C@@]2(C1)CCCC3 ZINC001473901915 1183823287 /nfs/dbraw/zinc/82/32/87/1183823287.db2.gz OXQDNKZXHYZWAS-KDURUIRLSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCCCOC(C)(C)C)C[C@@]2(C1)CCCC3 ZINC001473901915 1183823297 /nfs/dbraw/zinc/82/32/97/1183823297.db2.gz OXQDNKZXHYZWAS-KDURUIRLSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCCCOC(C)(C)C)C[C@@]2(C1)CCCC3 ZINC001473901915 1183823311 /nfs/dbraw/zinc/82/33/11/1183823311.db2.gz OXQDNKZXHYZWAS-KDURUIRLSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001473935788 1183833670 /nfs/dbraw/zinc/83/36/70/1183833670.db2.gz PCJAQQVEHHXCCX-IYBDPMFKSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001473935788 1183833673 /nfs/dbraw/zinc/83/36/73/1183833673.db2.gz PCJAQQVEHHXCCX-IYBDPMFKSA-N 2 1 314.477 3.100 20 0 DGADMP CCOc1cc(C[NH2+]CCn2cc[nH+]c2C)cc(Cl)c1OC ZINC001473966579 1183840170 /nfs/dbraw/zinc/84/01/70/1183840170.db2.gz NYHGETCILIFJMS-UHFFFAOYSA-N 2 1 323.824 3.042 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OC ZINC001473968157 1183840550 /nfs/dbraw/zinc/84/05/50/1183840550.db2.gz LUBBMSYSXRYHFQ-HUUCEWRRSA-N 2 1 308.466 3.302 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC001473988375 1183844477 /nfs/dbraw/zinc/84/44/77/1183844477.db2.gz BGRKOBRWQQFTLG-OAHLLOKOSA-N 2 1 318.490 3.144 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC001474297796 1183899965 /nfs/dbraw/zinc/89/99/65/1183899965.db2.gz HIDROIRWEOZZMJ-IAGOWNOFSA-N 2 1 316.489 3.405 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC001474301369 1183900015 /nfs/dbraw/zinc/90/00/15/1183900015.db2.gz KBYNRGOUKWULQH-QEJZJMRPSA-N 2 1 314.351 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC001474301367 1183900157 /nfs/dbraw/zinc/90/01/57/1183900157.db2.gz KBYNRGOUKWULQH-NWANDNLSSA-N 2 1 314.351 3.015 20 0 DGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)ccc2c1 ZINC001474302652 1183900689 /nfs/dbraw/zinc/90/06/89/1183900689.db2.gz CFLFGDMLMGODGW-YSIASYRMSA-N 2 1 310.441 3.278 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC001474303156 1183901402 /nfs/dbraw/zinc/90/14/02/1183901402.db2.gz RMJITJUPQGQLKA-NWANDNLSSA-N 2 1 314.351 3.015 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001474509194 1183933038 /nfs/dbraw/zinc/93/30/38/1183933038.db2.gz QWZWTJFAONFPTH-FHWLQOOXSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001474509194 1183933040 /nfs/dbraw/zinc/93/30/40/1183933040.db2.gz QWZWTJFAONFPTH-FHWLQOOXSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001474553838 1183939747 /nfs/dbraw/zinc/93/97/47/1183939747.db2.gz YOMPRQKAMOYFBB-QZTJIDSGSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001474553838 1183939756 /nfs/dbraw/zinc/93/97/56/1183939756.db2.gz YOMPRQKAMOYFBB-QZTJIDSGSA-N 2 1 303.494 3.223 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001479637394 1184281514 /nfs/dbraw/zinc/28/15/14/1184281514.db2.gz PEXMVKJSNDGFLL-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001479637394 1184281518 /nfs/dbraw/zinc/28/15/18/1184281518.db2.gz PEXMVKJSNDGFLL-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1CC ZINC001479637394 1184281523 /nfs/dbraw/zinc/28/15/23/1184281523.db2.gz PEXMVKJSNDGFLL-FGTMMUONSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001495482585 1185062691 /nfs/dbraw/zinc/06/26/91/1185062691.db2.gz WKNSNSBUCRDECZ-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC=C(C)C ZINC001506581854 1186256818 /nfs/dbraw/zinc/25/68/18/1186256818.db2.gz ZIJBTNFTAZQQQU-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C ZINC001506581854 1186256822 /nfs/dbraw/zinc/25/68/22/1186256822.db2.gz ZIJBTNFTAZQQQU-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CC=C(C)C ZINC001506581854 1186256829 /nfs/dbraw/zinc/25/68/29/1186256829.db2.gz ZIJBTNFTAZQQQU-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP CC(C)C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001615729187 1193527339 /nfs/dbraw/zinc/52/73/39/1193527339.db2.gz WLINFQSQHJNIAT-HXUWFJFHSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001615729187 1193527340 /nfs/dbraw/zinc/52/73/40/1193527340.db2.gz WLINFQSQHJNIAT-HXUWFJFHSA-N 2 1 316.489 3.387 20 0 DGADMP CC1CC[NH+](CCC[NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC001656662450 1196059659 /nfs/dbraw/zinc/05/96/59/1196059659.db2.gz DJSKAWOLYHFEBZ-UHFFFAOYSA-N 2 1 307.457 3.103 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC001656719395 1196065148 /nfs/dbraw/zinc/06/51/48/1196065148.db2.gz HGTLCJBYGGNWHM-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC001616382367 1193537538 /nfs/dbraw/zinc/53/75/38/1193537538.db2.gz KEBWIZFIFKATQG-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC001549033915 1188487926 /nfs/dbraw/zinc/48/79/26/1188487926.db2.gz HSTFAQHMYOZDOH-RDJZCZTQSA-N 2 1 308.416 3.499 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C2CCC(F)(F)CC2)[C@@H](c2ccccc2)C1 ZINC001549033914 1188488141 /nfs/dbraw/zinc/48/81/41/1188488141.db2.gz HSTFAQHMYOZDOH-NVXWUHKLSA-N 2 1 308.416 3.499 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)c1OC(C)C ZINC001549087455 1188492900 /nfs/dbraw/zinc/49/29/00/1188492900.db2.gz LLNIJHLWEBPCLP-QFBILLFUSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)c1OC(C)C ZINC001549087455 1188492902 /nfs/dbraw/zinc/49/29/02/1188492902.db2.gz LLNIJHLWEBPCLP-QFBILLFUSA-N 2 1 318.461 3.043 20 0 DGADMP c1ccc([C@@H]2C[C@@H]3[C@H](CCC[N@@H+]3CC[C@@H]3CCC[NH2+]C3)O2)cc1 ZINC001549112957 1188495797 /nfs/dbraw/zinc/49/57/97/1188495797.db2.gz GFCYVDYWSMHWTR-RNQOJCNYSA-N 2 1 314.473 3.371 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC001549114128 1188496360 /nfs/dbraw/zinc/49/63/60/1188496360.db2.gz BLCPYNJXUIHGOS-KDOFPFPSSA-N 2 1 315.392 3.042 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2[C@@H](c3ccccc3)C2(C)C)s1 ZINC001549545294 1188525570 /nfs/dbraw/zinc/52/55/70/1188525570.db2.gz FYBJZMYSROAPGP-SJORKVTESA-N 2 1 315.486 3.487 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC001549774529 1188540655 /nfs/dbraw/zinc/54/06/55/1188540655.db2.gz FNKKGCOIGOGTBX-HFSMHLIXSA-N 2 1 321.468 3.394 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001550174621 1188590321 /nfs/dbraw/zinc/59/03/21/1188590321.db2.gz FAJGLGZPWRXDQB-FYQPLNBISA-N 2 1 314.473 3.358 20 0 DGADMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC001550242844 1188597554 /nfs/dbraw/zinc/59/75/54/1188597554.db2.gz ISMALMNNVUKDDZ-GBESFXJTSA-N 2 1 307.441 3.004 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC001550242844 1188597555 /nfs/dbraw/zinc/59/75/55/1188597555.db2.gz ISMALMNNVUKDDZ-GBESFXJTSA-N 2 1 307.441 3.004 20 0 DGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC001550352328 1188608839 /nfs/dbraw/zinc/60/88/39/1188608839.db2.gz BKVCNCGOUQEXPC-KBAYOESNSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001550352328 1188608847 /nfs/dbraw/zinc/60/88/47/1188608847.db2.gz BKVCNCGOUQEXPC-KBAYOESNSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001550352328 1188608851 /nfs/dbraw/zinc/60/88/51/1188608851.db2.gz BKVCNCGOUQEXPC-KBAYOESNSA-N 2 1 324.472 3.384 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(C)o1 ZINC001550352120 1188609263 /nfs/dbraw/zinc/60/92/63/1188609263.db2.gz MTJRWYLVVORKFT-OPWSAZDFSA-N 2 1 320.477 3.027 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550353663 1188609986 /nfs/dbraw/zinc/60/99/86/1188609986.db2.gz QBGJGYCCZYSZEY-BRWVUGGUSA-N 2 1 302.462 3.392 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)C1 ZINC001550515928 1188617913 /nfs/dbraw/zinc/61/79/13/1188617913.db2.gz YNELAZLXVOEQTF-BZUAXINKSA-N 2 1 303.450 3.138 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3CC4(C3)CCCC4)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550521269 1188618416 /nfs/dbraw/zinc/61/84/16/1188618416.db2.gz CZMKFWAYUQDTDD-LXZJYRNTSA-N 2 1 320.521 3.169 20 0 DGADMP Cc1ccc(-c2cc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)on2)cc1 ZINC001550541090 1188621890 /nfs/dbraw/zinc/62/18/90/1188621890.db2.gz QIMXEHLYVXGYJS-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)on2)cc1 ZINC001550541090 1188621893 /nfs/dbraw/zinc/62/18/93/1188621893.db2.gz QIMXEHLYVXGYJS-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)on2)cc1 ZINC001550541090 1188621895 /nfs/dbraw/zinc/62/18/95/1188621895.db2.gz QIMXEHLYVXGYJS-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC001550542942 1188621924 /nfs/dbraw/zinc/62/19/24/1188621924.db2.gz BIHOHXQCMXQGFH-HOTGVXAUSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC001550542942 1188621926 /nfs/dbraw/zinc/62/19/26/1188621926.db2.gz BIHOHXQCMXQGFH-HOTGVXAUSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC001550542942 1188621928 /nfs/dbraw/zinc/62/19/28/1188621928.db2.gz BIHOHXQCMXQGFH-HOTGVXAUSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC001550542942 1188621930 /nfs/dbraw/zinc/62/19/30/1188621930.db2.gz BIHOHXQCMXQGFH-HOTGVXAUSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)C[C@H]2C1 ZINC001550541523 1188622004 /nfs/dbraw/zinc/62/20/04/1188622004.db2.gz YVLGEYXABGLKHC-UKRRQHHQSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]2C1 ZINC001550541523 1188622005 /nfs/dbraw/zinc/62/20/05/1188622005.db2.gz YVLGEYXABGLKHC-UKRRQHHQSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]2C1 ZINC001550541523 1188622006 /nfs/dbraw/zinc/62/20/06/1188622006.db2.gz YVLGEYXABGLKHC-UKRRQHHQSA-N 2 1 315.848 3.272 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001551263576 1188723178 /nfs/dbraw/zinc/72/31/78/1188723178.db2.gz XLBQKLFWSUPCOW-DZKIICNBSA-N 2 1 307.869 3.206 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001551261649 1188723336 /nfs/dbraw/zinc/72/33/36/1188723336.db2.gz OUACUCXYJPBWLY-LULLPPNCSA-N 2 1 316.489 3.461 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3F)C[C@@H]2C1 ZINC001551263505 1188723505 /nfs/dbraw/zinc/72/35/05/1188723505.db2.gz WPVCZQNIFRYINN-KWCYVHTRSA-N 2 1 311.832 3.036 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[C@@H]1O ZINC001552286886 1188830371 /nfs/dbraw/zinc/83/03/71/1188830371.db2.gz WTBOEOYLVWCRSM-MOPGFXCFSA-N 2 1 302.462 3.018 20 0 DGADMP c1cc(C[N@H+]2CC[C@@]3(CCCO3)C2)cc(C[NH+]2CCCCC2)c1 ZINC001552337318 1188838149 /nfs/dbraw/zinc/83/81/49/1188838149.db2.gz AORQSAPGNPXCQT-FQEVSTJZSA-N 2 1 314.473 3.427 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCCC(=O)OC)CC1)CC(C)C ZINC001559674444 1189229892 /nfs/dbraw/zinc/22/98/92/1189229892.db2.gz KOXGKIPEUOKKSJ-UHFFFAOYSA-N 2 1 312.498 3.020 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001559749452 1189238472 /nfs/dbraw/zinc/23/84/72/1189238472.db2.gz PWGMPCBAMGOWBU-QGZVFWFLSA-N 2 1 304.554 3.148 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001559749452 1189238475 /nfs/dbraw/zinc/23/84/75/1189238475.db2.gz PWGMPCBAMGOWBU-QGZVFWFLSA-N 2 1 304.554 3.148 20 0 DGADMP C[C@H](CCO)[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559960609 1189262728 /nfs/dbraw/zinc/26/27/28/1189262728.db2.gz VAGYDLQBTYWFEJ-GOSISDBHSA-N 2 1 318.505 3.034 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964150 1189263727 /nfs/dbraw/zinc/26/37/27/1189263727.db2.gz MNOQABIFQZWDDK-MSOLQXFVSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964150 1189263731 /nfs/dbraw/zinc/26/37/31/1189263731.db2.gz MNOQABIFQZWDDK-MSOLQXFVSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964150 1189263736 /nfs/dbraw/zinc/26/37/36/1189263736.db2.gz MNOQABIFQZWDDK-MSOLQXFVSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001559964150 1189263740 /nfs/dbraw/zinc/26/37/40/1189263740.db2.gz MNOQABIFQZWDDK-MSOLQXFVSA-N 2 1 324.896 3.050 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069641 1189274552 /nfs/dbraw/zinc/27/45/52/1189274552.db2.gz XOZYRVOQGNBEDV-IBGZPJMESA-N 2 1 318.509 3.168 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001560068749 1189275411 /nfs/dbraw/zinc/27/54/11/1189275411.db2.gz HCAQOSLLPGYORY-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CCO[C@@H](C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001560069325 1189275438 /nfs/dbraw/zinc/27/54/38/1189275438.db2.gz PZFOIPDEOHPYEI-MOPGFXCFSA-N 2 1 308.510 3.388 20 0 DGADMP c1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCN21 ZINC001560097599 1189278652 /nfs/dbraw/zinc/27/86/52/1189278652.db2.gz IMKFPLNQVQQBTO-LJQANCHMSA-N 2 1 313.489 3.347 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc3nccn32)C1 ZINC001560269824 1189303621 /nfs/dbraw/zinc/30/36/21/1189303621.db2.gz UKUBXTKOENOVBA-CALCHBBNSA-N 2 1 314.477 3.182 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC001560433762 1189328322 /nfs/dbraw/zinc/32/83/22/1189328322.db2.gz XFOYXMYFMZURJU-BQFCYCMXSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC001560433762 1189328327 /nfs/dbraw/zinc/32/83/27/1189328327.db2.gz XFOYXMYFMZURJU-BQFCYCMXSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948529 1189409906 /nfs/dbraw/zinc/40/99/06/1189409906.db2.gz ZHNVSXCSAFKBTG-RDJZCZTQSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC001560948529 1189409909 /nfs/dbraw/zinc/40/99/09/1189409909.db2.gz ZHNVSXCSAFKBTG-RDJZCZTQSA-N 2 1 318.461 3.010 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC001560956312 1189410872 /nfs/dbraw/zinc/41/08/72/1189410872.db2.gz TXPYVKKZXFELPX-KRWDZBQOSA-N 2 1 320.452 3.356 20 0 DGADMP CCOC(=O)CC(C)(C)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC001560961599 1189411624 /nfs/dbraw/zinc/41/16/24/1189411624.db2.gz KBRNIHQZFFAYTK-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP CC[NH+](CC)CC[C@H](N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001561048888 1189426234 /nfs/dbraw/zinc/42/62/34/1189426234.db2.gz HLHDNSYTEANSLB-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP C[N@H+]1C[C@@]23CN(CCc4ccc(F)cc4F)C[C@]2(C1)CCCC3 ZINC001561052943 1189428205 /nfs/dbraw/zinc/42/82/05/1189428205.db2.gz PIOHVUZBGVEFNP-KDURUIRLSA-N 2 1 320.427 3.315 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCc4ccc(F)cc4F)C[C@@]2(C1)CCCC3 ZINC001561052943 1189428219 /nfs/dbraw/zinc/42/82/19/1189428219.db2.gz PIOHVUZBGVEFNP-KDURUIRLSA-N 2 1 320.427 3.315 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCc4ccc(F)cc4F)C[C@@]2(C1)CCCC3 ZINC001561052943 1189428223 /nfs/dbraw/zinc/42/82/23/1189428223.db2.gz PIOHVUZBGVEFNP-KDURUIRLSA-N 2 1 320.427 3.315 20 0 DGADMP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001566534123 1189794296 /nfs/dbraw/zinc/79/42/96/1189794296.db2.gz IXELRZNJNNRQEZ-HNGSOEQISA-N 2 1 323.525 3.042 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(CC)CC ZINC001657322302 1196130367 /nfs/dbraw/zinc/13/03/67/1196130367.db2.gz FXNMULKDMXREQI-SJORKVTESA-N 2 1 305.466 3.221 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001566922739 1189953613 /nfs/dbraw/zinc/95/36/13/1189953613.db2.gz CVRTWBKIPBICNX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001566922739 1189953625 /nfs/dbraw/zinc/95/36/25/1189953625.db2.gz CVRTWBKIPBICNX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001566922739 1189953630 /nfs/dbraw/zinc/95/36/30/1189953630.db2.gz CVRTWBKIPBICNX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001570793224 1190949993 /nfs/dbraw/zinc/94/99/93/1190949993.db2.gz IVUGYLZQLPDSBW-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1)C(C)C ZINC001620763511 1191443679 /nfs/dbraw/zinc/44/36/79/1191443679.db2.gz AGALZRZKCAPQQY-DLBZAZTESA-N 2 1 312.498 3.208 20 0 DGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1)C(C)C ZINC001620763511 1191443680 /nfs/dbraw/zinc/44/36/80/1191443680.db2.gz AGALZRZKCAPQQY-DLBZAZTESA-N 2 1 312.498 3.208 20 0 DGADMP Brc1cccc(C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C2CC2)c1 ZINC001574447891 1191444598 /nfs/dbraw/zinc/44/45/98/1191444598.db2.gz HJWSSZBORKRLDT-CJNGLKHVSA-N 2 1 321.262 3.023 20 0 DGADMP Brc1cccc(C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C2CC2)c1 ZINC001574447891 1191444599 /nfs/dbraw/zinc/44/45/99/1191444599.db2.gz HJWSSZBORKRLDT-CJNGLKHVSA-N 2 1 321.262 3.023 20 0 DGADMP C([N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1([C@H]2CCCCO2)CCC1 ZINC001574794222 1191453140 /nfs/dbraw/zinc/45/31/40/1191453140.db2.gz BMGBXWFQDIFFDK-OKZBNKHCSA-N 2 1 306.494 3.047 20 0 DGADMP CC(C)n1cc(C2=CCC[N@@H+](CCCCCCC[NH3+])CC2)nn1 ZINC001575898355 1191515411 /nfs/dbraw/zinc/51/54/11/1191515411.db2.gz LJDDXCMFEHOJOZ-UHFFFAOYSA-N 2 1 319.497 3.247 20 0 DGADMP C[C@@H](CC[N@H+]1CCC2(C1)CC[NH2+]CC2)OCc1ccccc1 ZINC001575962362 1191519954 /nfs/dbraw/zinc/51/99/54/1191519954.db2.gz QCMDNITYWAMUCA-KRWDZBQOSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC001575975480 1191521039 /nfs/dbraw/zinc/52/10/39/1191521039.db2.gz NNTRLESBCLHSDF-UTUOFQBUSA-N 2 1 317.260 3.430 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001576053442 1191524994 /nfs/dbraw/zinc/52/49/94/1191524994.db2.gz XUCVMMYHDMQVOE-FZMZJTMJSA-N 2 1 300.368 3.224 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC3(CO1)CCCCC3)C2 ZINC001618053993 1193723346 /nfs/dbraw/zinc/72/33/46/1193723346.db2.gz AJJUYSXRKSOSEJ-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CC3(CO1)CCCCC3)C2 ZINC001618053993 1193723350 /nfs/dbraw/zinc/72/33/50/1193723350.db2.gz AJJUYSXRKSOSEJ-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CC3(CO1)CCCCC3)C2 ZINC001618053993 1193723354 /nfs/dbraw/zinc/72/33/54/1193723354.db2.gz AJJUYSXRKSOSEJ-IEBWSBKVSA-N 2 1 306.494 3.144 20 0 DGADMP Cc1[nH+]ccn1CCCN1CCO[C@@H](c2cccc(F)c2)[C@@H]1C ZINC001618785027 1193751566 /nfs/dbraw/zinc/75/15/66/1193751566.db2.gz BIZLFTOKGOQDFL-KBXCAEBGSA-N 2 1 317.408 3.183 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001621107947 1193763715 /nfs/dbraw/zinc/76/37/15/1193763715.db2.gz DEFQVRCUROLPLG-RCCFBDPRSA-N 2 1 302.462 3.151 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001621107947 1193763717 /nfs/dbraw/zinc/76/37/17/1193763717.db2.gz DEFQVRCUROLPLG-RCCFBDPRSA-N 2 1 302.462 3.151 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CC3(CO2)CCCCC3)CC1 ZINC001620531389 1193776564 /nfs/dbraw/zinc/77/65/64/1193776564.db2.gz DYXKMHJHTJWKLF-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001620531953 1193777103 /nfs/dbraw/zinc/77/71/03/1193777103.db2.gz WUNKDSMEBGEKQC-UHFFFAOYSA-N 2 1 302.462 3.324 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1ccc(F)c(F)c1 ZINC001620594076 1193782241 /nfs/dbraw/zinc/78/22/41/1193782241.db2.gz GLYMLMFGEHPOHG-AWEZNQCLSA-N 2 1 317.383 3.113 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC001620747031 1193797422 /nfs/dbraw/zinc/79/74/22/1193797422.db2.gz LYNONRFZRMWXDR-HNNXBMFYSA-N 2 1 312.404 3.152 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@@H]2C1 ZINC001621107843 1193802933 /nfs/dbraw/zinc/80/29/33/1193802933.db2.gz BDCQCUANALFFLT-BFHYXJOUSA-N 2 1 314.351 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@@H]2C1 ZINC001621107843 1193802935 /nfs/dbraw/zinc/80/29/35/1193802935.db2.gz BDCQCUANALFFLT-BFHYXJOUSA-N 2 1 314.351 3.015 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001621107944 1193802941 /nfs/dbraw/zinc/80/29/41/1193802941.db2.gz DEFQVRCUROLPLG-FGTMMUONSA-N 2 1 302.462 3.151 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001621107944 1193802942 /nfs/dbraw/zinc/80/29/42/1193802942.db2.gz DEFQVRCUROLPLG-FGTMMUONSA-N 2 1 302.462 3.151 20 0 DGADMP CC1(C)CC[N@@H+](Cc2cc(-n3ccnc3)cs2)CC(C)(C)[NH2+]1 ZINC001621570376 1193860129 /nfs/dbraw/zinc/86/01/29/1193860129.db2.gz SKKQOWOLXJTABS-UHFFFAOYSA-N 2 1 318.490 3.286 20 0 DGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001630568696 1194292318 /nfs/dbraw/zinc/29/23/18/1194292318.db2.gz KIJGXCCJIXQTKR-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CN(C)c1cc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc[nH+]1 ZINC001630582815 1194292761 /nfs/dbraw/zinc/29/27/61/1194292761.db2.gz SGEQKUCBRGDBAN-UHFFFAOYSA-N 2 1 323.400 3.004 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOCC2CCCC2)cc1 ZINC001642559999 1194919424 /nfs/dbraw/zinc/91/94/24/1194919424.db2.gz FYIJHAJSPUSTBU-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001642954650 1194956456 /nfs/dbraw/zinc/95/64/56/1194956456.db2.gz GVSJOLUKRHWIET-LBPRGKRZSA-N 2 1 313.367 3.341 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001642954650 1194956458 /nfs/dbraw/zinc/95/64/58/1194956458.db2.gz GVSJOLUKRHWIET-LBPRGKRZSA-N 2 1 313.367 3.341 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543531 1195115722 /nfs/dbraw/zinc/11/57/22/1195115722.db2.gz KPXMJHYYYGPHCZ-FXAWDEMLSA-N 2 1 312.457 3.336 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543531 1195115726 /nfs/dbraw/zinc/11/57/26/1195115726.db2.gz KPXMJHYYYGPHCZ-FXAWDEMLSA-N 2 1 312.457 3.336 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC001644571362 1195118155 /nfs/dbraw/zinc/11/81/55/1195118155.db2.gz ZRNLTYQNSDRWAJ-JKSUJKDBSA-N 2 1 317.477 3.186 20 0 DGADMP CC[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644595004 1195119857 /nfs/dbraw/zinc/11/98/57/1195119857.db2.gz NUVYABKUASPLBD-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644595004 1195119860 /nfs/dbraw/zinc/11/98/60/1195119860.db2.gz NUVYABKUASPLBD-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001644595004 1195119862 /nfs/dbraw/zinc/11/98/62/1195119862.db2.gz NUVYABKUASPLBD-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001644595004 1195119865 /nfs/dbraw/zinc/11/98/65/1195119865.db2.gz NUVYABKUASPLBD-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001645857641 1195205663 /nfs/dbraw/zinc/20/56/63/1195205663.db2.gz RJYRBNKVVMNTHI-OKZBNKHCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001645857641 1195205665 /nfs/dbraw/zinc/20/56/65/1195205665.db2.gz RJYRBNKVVMNTHI-OKZBNKHCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001645857641 1195205668 /nfs/dbraw/zinc/20/56/68/1195205668.db2.gz RJYRBNKVVMNTHI-OKZBNKHCSA-N 2 1 320.427 3.453 20 0 DGADMP CN(C)c1ccccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC001648691343 1195322577 /nfs/dbraw/zinc/32/25/77/1195322577.db2.gz NASFXNHVNBRFCG-UHFFFAOYSA-N 2 1 303.494 3.497 20 0 DGADMP CN(C)c1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC001648691343 1195322580 /nfs/dbraw/zinc/32/25/80/1195322580.db2.gz NASFXNHVNBRFCG-UHFFFAOYSA-N 2 1 303.494 3.497 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC001650376579 1195361389 /nfs/dbraw/zinc/36/13/89/1195361389.db2.gz PFJQOKLWMZSCBU-OAHLLOKOSA-N 2 1 320.462 3.070 20 0 DGADMP CCC[NH+]1CCC(CNc2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC001650718137 1195375181 /nfs/dbraw/zinc/37/51/81/1195375181.db2.gz KSUCEFXVVQMMSQ-UHFFFAOYSA-N 2 1 301.438 3.006 20 0 DGADMP CO[C@@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC001651947532 1195526930 /nfs/dbraw/zinc/52/69/30/1195526930.db2.gz TVKIAUVPMLHMFD-LPHOPBHVSA-N 2 1 308.510 3.388 20 0 DGADMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC001651980491 1195531477 /nfs/dbraw/zinc/53/14/77/1195531477.db2.gz XCCWBOFBKFYGMB-QGZVFWFLSA-N 2 1 320.477 3.018 20 0 DGADMP C[Si](C)(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC001652536062 1195615355 /nfs/dbraw/zinc/61/53/55/1195615355.db2.gz CEVDCQQZWBJUKY-GOSISDBHSA-N 2 1 316.565 3.092 20 0 DGADMP C[N@@H+](CCC1(C(=O)OC(C)(C)C)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC001652560577 1195617047 /nfs/dbraw/zinc/61/70/47/1195617047.db2.gz AOFXUVBIOJCUFY-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC001652662037 1195633986 /nfs/dbraw/zinc/63/39/86/1195633986.db2.gz IIRNOLRYAHGHJQ-FQEVSTJZSA-N 2 1 318.505 3.360 20 0 DGADMP COCC[N@@H+](CC[C@@H](C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC001652936746 1195672345 /nfs/dbraw/zinc/67/23/45/1195672345.db2.gz FNUXYUPEMCKYOB-GOSISDBHSA-N 2 1 318.505 3.470 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001653049112 1195684421 /nfs/dbraw/zinc/68/44/21/1195684421.db2.gz NDZQFJVWEXLMHW-QZTJIDSGSA-N 2 1 306.494 3.455 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2CSC2)CC[N@@H+]1Cc1ccccc1 ZINC001653270432 1195706136 /nfs/dbraw/zinc/70/61/36/1195706136.db2.gz YSEHDCLAPSMMIR-MAUKXSAKSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001653270432 1195706140 /nfs/dbraw/zinc/70/61/40/1195706140.db2.gz YSEHDCLAPSMMIR-MAUKXSAKSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCC23CCOCC3)C1 ZINC001653529707 1195731357 /nfs/dbraw/zinc/73/13/57/1195731357.db2.gz XBSUYFOMJNCXFY-RBUKOAKNSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001653529707 1195731361 /nfs/dbraw/zinc/73/13/61/1195731361.db2.gz XBSUYFOMJNCXFY-RBUKOAKNSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001653529707 1195731365 /nfs/dbraw/zinc/73/13/65/1195731365.db2.gz XBSUYFOMJNCXFY-RBUKOAKNSA-N 2 1 320.521 3.247 20 0 DGADMP CC[C@@H]1CC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218642 1195784786 /nfs/dbraw/zinc/78/47/86/1195784786.db2.gz ODRKFLLIVMMGLE-DFQSSKMNSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1ccc(Cl)cc1 ZINC001654838097 1195846616 /nfs/dbraw/zinc/84/66/16/1195846616.db2.gz OSBOUIFKLKNPKL-OAHLLOKOSA-N 2 1 315.848 3.488 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Cl)c(C)c2)CC1 ZINC001655274074 1195898676 /nfs/dbraw/zinc/89/86/76/1195898676.db2.gz NTTALBGSGDAUGM-UHFFFAOYSA-N 2 1 323.912 3.156 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCOCC1 ZINC001655486666 1195923556 /nfs/dbraw/zinc/92/35/56/1195923556.db2.gz MBQJQROBOJWSCT-UHFFFAOYSA-N 2 1 304.478 3.161 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)C2 ZINC001655517591 1195926534 /nfs/dbraw/zinc/92/65/34/1195926534.db2.gz ZKNILNRJNHBCAS-UHOSZYNNSA-N 2 1 316.489 3.405 20 0 DGADMP FC1(F)CCC[C@H]1CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001655578243 1195935158 /nfs/dbraw/zinc/93/51/58/1195935158.db2.gz GXOTZZGQOAOJTK-AWEZNQCLSA-N 2 1 316.436 3.045 20 0 DGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(F)cc1F ZINC001655707897 1195953627 /nfs/dbraw/zinc/95/36/27/1195953627.db2.gz HSWAJXJHMUCPPJ-GFCCVEGCSA-N 2 1 305.372 3.319 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001655725028 1195956802 /nfs/dbraw/zinc/95/68/02/1195956802.db2.gz MPZVTEAVRUQSBD-RSPOEFSDSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001655725028 1195956804 /nfs/dbraw/zinc/95/68/04/1195956804.db2.gz MPZVTEAVRUQSBD-RSPOEFSDSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2nccc3c2CCCC3)C1 ZINC001656061836 1195993238 /nfs/dbraw/zinc/99/32/38/1195993238.db2.gz JELPZSDIJXIAAC-CALCHBBNSA-N 2 1 315.505 3.418 20 0 DGADMP CC[N@H+]1CC[C@@H](CNCc2cnc(-c3ccsc3)s2)C1 ZINC001656077018 1195994996 /nfs/dbraw/zinc/99/49/96/1195994996.db2.gz QGHKUCVBIHRBKV-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC001656077018 1195994997 /nfs/dbraw/zinc/99/49/97/1195994997.db2.gz QGHKUCVBIHRBKV-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC001656077018 1195994998 /nfs/dbraw/zinc/99/49/98/1195994998.db2.gz QGHKUCVBIHRBKV-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001656298809 1196028190 /nfs/dbraw/zinc/02/81/90/1196028190.db2.gz NXFIDUCVIPOFKH-ICSRJNTNSA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001656298809 1196028192 /nfs/dbraw/zinc/02/81/92/1196028192.db2.gz NXFIDUCVIPOFKH-ICSRJNTNSA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001656298809 1196028195 /nfs/dbraw/zinc/02/81/95/1196028195.db2.gz NXFIDUCVIPOFKH-ICSRJNTNSA-N 2 1 312.457 3.411 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001656395703 1196036210 /nfs/dbraw/zinc/03/62/10/1196036210.db2.gz XARBUUQJUXTYIX-QGZVFWFLSA-N 2 1 320.525 3.465 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001656395703 1196036214 /nfs/dbraw/zinc/03/62/14/1196036214.db2.gz XARBUUQJUXTYIX-QGZVFWFLSA-N 2 1 320.525 3.465 20 0 DGADMP Cc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001656453438 1196041709 /nfs/dbraw/zinc/04/17/09/1196041709.db2.gz BSIGDBZWAMIKBT-GOSISDBHSA-N 2 1 322.880 3.381 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC001656582946 1196052250 /nfs/dbraw/zinc/05/22/50/1196052250.db2.gz BVKRUWQPNCIJFM-ANQUJSFKSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC001656582946 1196052252 /nfs/dbraw/zinc/05/22/52/1196052252.db2.gz BVKRUWQPNCIJFM-ANQUJSFKSA-N 2 1 308.491 3.288 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC(F)F)C1 ZINC001656632659 1196056426 /nfs/dbraw/zinc/05/64/26/1196056426.db2.gz ICYMJWXUDZYVND-HUUCEWRRSA-N 2 1 312.404 3.293 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC(F)F)C1 ZINC001656632658 1196056628 /nfs/dbraw/zinc/05/66/28/1196056628.db2.gz ICYMJWXUDZYVND-GJZGRUSLSA-N 2 1 312.404 3.293 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(OC(F)F)cc1C ZINC001656742977 1196067249 /nfs/dbraw/zinc/06/72/49/1196067249.db2.gz CRVFVHUCKGMJAX-CQSZACIVSA-N 2 1 324.415 3.479 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(OC(F)F)cc1C ZINC001656742977 1196067255 /nfs/dbraw/zinc/06/72/55/1196067255.db2.gz CRVFVHUCKGMJAX-CQSZACIVSA-N 2 1 324.415 3.479 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001656753965 1196069130 /nfs/dbraw/zinc/06/91/30/1196069130.db2.gz WLVSUWBCAWVFOQ-WOJBJXKFSA-N 2 1 316.489 3.228 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001656753965 1196069132 /nfs/dbraw/zinc/06/91/32/1196069132.db2.gz WLVSUWBCAWVFOQ-WOJBJXKFSA-N 2 1 316.489 3.228 20 0 DGADMP CC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(C)c1 ZINC001656806052 1196072468 /nfs/dbraw/zinc/07/24/68/1196072468.db2.gz QZWKIMDEUOPEGX-QGZVFWFLSA-N 2 1 313.445 3.403 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC001656812539 1196073187 /nfs/dbraw/zinc/07/31/87/1196073187.db2.gz UWTXDNYFXMDCJI-RDJZCZTQSA-N 2 1 320.477 3.304 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193828 1196117100 /nfs/dbraw/zinc/11/71/00/1196117100.db2.gz ACHXRXZWWZHUBI-AEFFLSMTSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193828 1196117105 /nfs/dbraw/zinc/11/71/05/1196117105.db2.gz ACHXRXZWWZHUBI-AEFFLSMTSA-N 2 1 314.473 3.318 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001657279329 1196126457 /nfs/dbraw/zinc/12/64/57/1196126457.db2.gz UNBQBLAAEZATQE-UHFFFAOYSA-N 2 1 323.444 3.006 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001657290651 1196127524 /nfs/dbraw/zinc/12/75/24/1196127524.db2.gz CXZGPMABQTZSCO-GOSISDBHSA-N 2 1 304.478 3.302 20 0 DGADMP CCNc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001657342955 1196132032 /nfs/dbraw/zinc/13/20/32/1196132032.db2.gz YHKVJDMITLMOGS-QGZVFWFLSA-N 2 1 301.478 3.282 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001657342955 1196132036 /nfs/dbraw/zinc/13/20/36/1196132036.db2.gz YHKVJDMITLMOGS-QGZVFWFLSA-N 2 1 301.478 3.282 20 0 DGADMP CCNc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001657342955 1196132038 /nfs/dbraw/zinc/13/20/38/1196132038.db2.gz YHKVJDMITLMOGS-QGZVFWFLSA-N 2 1 301.478 3.282 20 0 DGADMP CCNc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001657342955 1196132040 /nfs/dbraw/zinc/13/20/40/1196132040.db2.gz YHKVJDMITLMOGS-QGZVFWFLSA-N 2 1 301.478 3.282 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]2Cc2ccc(OC)cc2)CC1 ZINC001657373086 1196134542 /nfs/dbraw/zinc/13/45/42/1196134542.db2.gz QAPYIJATLMZSSM-GOSISDBHSA-N 2 1 302.462 3.044 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc([Si](C)(C)C)cc2)CC1(C)C ZINC001657469275 1196146226 /nfs/dbraw/zinc/14/62/26/1196146226.db2.gz CWKORWLKCBCPOI-MRXNPFEDSA-N 2 1 304.554 3.194 20 0 DGADMP CCCn1cncc1C[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC001657631663 1196161500 /nfs/dbraw/zinc/16/15/00/1196161500.db2.gz WRTQBVPCQVITLN-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP CCCn1cncc1C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC001657631663 1196161501 /nfs/dbraw/zinc/16/15/01/1196161501.db2.gz WRTQBVPCQVITLN-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001657744669 1196174708 /nfs/dbraw/zinc/17/47/08/1196174708.db2.gz SQMGYWFTJDDLAN-MRXNPFEDSA-N 2 1 320.452 3.436 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001657744669 1196174718 /nfs/dbraw/zinc/17/47/18/1196174718.db2.gz SQMGYWFTJDDLAN-MRXNPFEDSA-N 2 1 320.452 3.436 20 0 DGADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1cccs1)[NH+]1CCCCC1 ZINC001657768206 1196177225 /nfs/dbraw/zinc/17/72/25/1196177225.db2.gz HPXFZXCRFOOSMW-AWEZNQCLSA-N 2 1 318.490 3.492 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC001657795494 1196179193 /nfs/dbraw/zinc/17/91/93/1196179193.db2.gz HIVIGVLUAQWETB-PMACEKPBSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001657795494 1196179196 /nfs/dbraw/zinc/17/91/96/1196179196.db2.gz HIVIGVLUAQWETB-PMACEKPBSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001657795494 1196179197 /nfs/dbraw/zinc/17/91/97/1196179197.db2.gz HIVIGVLUAQWETB-PMACEKPBSA-N 2 1 318.505 3.175 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001657836867 1196182742 /nfs/dbraw/zinc/18/27/42/1196182742.db2.gz KGHCJQOZPZKGHR-GOSISDBHSA-N 2 1 316.493 3.034 20 0 DGADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001657836867 1196182744 /nfs/dbraw/zinc/18/27/44/1196182744.db2.gz KGHCJQOZPZKGHR-GOSISDBHSA-N 2 1 316.493 3.034 20 0 DGADMP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001658189637 1196222923 /nfs/dbraw/zinc/22/29/23/1196222923.db2.gz JGLAXRPWUIOGMJ-IRXDYDNUSA-N 2 1 308.510 3.314 20 0 DGADMP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001658189636 1196223336 /nfs/dbraw/zinc/22/33/36/1196223336.db2.gz JGLAXRPWUIOGMJ-IAGOWNOFSA-N 2 1 308.510 3.314 20 0 DGADMP CC(C)C(C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(C)C ZINC001658261005 1196233089 /nfs/dbraw/zinc/23/30/89/1196233089.db2.gz INUDRSPJEJHKRP-IBGZPJMESA-N 2 1 318.505 3.271 20 0 DGADMP c1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1C1CC1 ZINC001658425676 1196255536 /nfs/dbraw/zinc/25/55/36/1196255536.db2.gz XQAOQKIUWHXVLP-UHFFFAOYSA-N 2 1 316.493 3.306 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)CCC[NH+](C)Cc2ccco2)C1 ZINC001658558038 1196273833 /nfs/dbraw/zinc/27/38/33/1196273833.db2.gz VKLXOUWKTAVXSV-HDICACEKSA-N 2 1 321.509 3.011 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC001658558038 1196273837 /nfs/dbraw/zinc/27/38/37/1196273837.db2.gz VKLXOUWKTAVXSV-HDICACEKSA-N 2 1 321.509 3.011 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001658558038 1196273841 /nfs/dbraw/zinc/27/38/41/1196273841.db2.gz VKLXOUWKTAVXSV-HDICACEKSA-N 2 1 321.509 3.011 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC1 ZINC001658743208 1196295057 /nfs/dbraw/zinc/29/50/57/1196295057.db2.gz ZKWHCMFGYMNGLW-UHFFFAOYSA-N 2 1 316.493 3.036 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCC34CCOCC4)C2)C1 ZINC001658773280 1196299076 /nfs/dbraw/zinc/29/90/76/1196299076.db2.gz KXVHGVVIMWNBPQ-ROUUACIJSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCCC34CCOCC4)C2)C1 ZINC001658773280 1196299079 /nfs/dbraw/zinc/29/90/79/1196299079.db2.gz KXVHGVVIMWNBPQ-ROUUACIJSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCCC34CCOCC4)C2)C1 ZINC001658773280 1196299087 /nfs/dbraw/zinc/29/90/87/1196299087.db2.gz KXVHGVVIMWNBPQ-ROUUACIJSA-N 2 1 306.494 3.001 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[C@@H](C)C1 ZINC001659015909 1196332446 /nfs/dbraw/zinc/33/24/46/1196332446.db2.gz GTBNOJRVOIVNCM-PIKOESSRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[C@@H](C)C1 ZINC001659015909 1196332455 /nfs/dbraw/zinc/33/24/55/1196332455.db2.gz GTBNOJRVOIVNCM-PIKOESSRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@]1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCO1 ZINC001659055022 1196337946 /nfs/dbraw/zinc/33/79/46/1196337946.db2.gz RMVBLIRWRHEJOV-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054910 1196338243 /nfs/dbraw/zinc/33/82/43/1196338243.db2.gz RZOAZPWBBAAUGG-VQIMIIECSA-N 2 1 314.473 3.460 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC001659054910 1196338246 /nfs/dbraw/zinc/33/82/46/1196338246.db2.gz RZOAZPWBBAAUGG-VQIMIIECSA-N 2 1 314.473 3.460 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC001659472332 1196386500 /nfs/dbraw/zinc/38/65/00/1196386500.db2.gz RYNDECUCGGABKC-PWIZWCRZSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC001659472332 1196386504 /nfs/dbraw/zinc/38/65/04/1196386504.db2.gz RYNDECUCGGABKC-PWIZWCRZSA-N 2 1 316.489 3.302 20 0 DGADMP CCCC[N@H+](CC(=O)N(C)C1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001659619147 1196400181 /nfs/dbraw/zinc/40/01/81/1196400181.db2.gz NWTFTLXVOWJUMV-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[N@@H+](CC(=O)N(C)C1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001659619147 1196400182 /nfs/dbraw/zinc/40/01/82/1196400182.db2.gz NWTFTLXVOWJUMV-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@]1(C[NH2+]C[C@@]2(C)CCCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001659634199 1196400561 /nfs/dbraw/zinc/40/05/61/1196400561.db2.gz WWLWZBZWBPHDTB-VQTJNVASSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001659716848 1196408067 /nfs/dbraw/zinc/40/80/67/1196408067.db2.gz VAQMEKGVENXPDT-MCIONIFRSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1ccccc1Br)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001659716848 1196408073 /nfs/dbraw/zinc/40/80/73/1196408073.db2.gz VAQMEKGVENXPDT-MCIONIFRSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1ccccc1Br)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001659716848 1196408076 /nfs/dbraw/zinc/40/80/76/1196408076.db2.gz VAQMEKGVENXPDT-MCIONIFRSA-N 2 1 323.278 3.394 20 0 DGADMP CC(C)(C)[C@@]1(C[NH2+][C@H]2C[C@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001659725175 1196409011 /nfs/dbraw/zinc/40/90/11/1196409011.db2.gz KXRUWHOPKOUUIL-QWFCFKBJSA-N 2 1 316.489 3.038 20 0 DGADMP CCOCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC001659765225 1196412693 /nfs/dbraw/zinc/41/26/93/1196412693.db2.gz SWUAWGICJWHYKE-AZUAARDMSA-N 2 1 316.489 3.497 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000076397357 1196478389 /nfs/dbraw/zinc/47/83/89/1196478389.db2.gz DZWCRTBYFQRQKY-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001660407433 1196480121 /nfs/dbraw/zinc/48/01/21/1196480121.db2.gz RLFWBFUUQKBVOB-QYZOEREBSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001660407433 1196480125 /nfs/dbraw/zinc/48/01/25/1196480125.db2.gz RLFWBFUUQKBVOB-QYZOEREBSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001660407433 1196480131 /nfs/dbraw/zinc/48/01/31/1196480131.db2.gz RLFWBFUUQKBVOB-QYZOEREBSA-N 2 1 302.462 3.036 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001660773318 1196522748 /nfs/dbraw/zinc/52/27/48/1196522748.db2.gz UUEIFQOICSNOJW-UHFFFAOYSA-N 2 1 318.383 3.449 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC001660953226 1196546571 /nfs/dbraw/zinc/54/65/71/1196546571.db2.gz CICFVJZQGVXSQH-WDSOQIARSA-N 2 1 314.473 3.159 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC001660953226 1196546573 /nfs/dbraw/zinc/54/65/73/1196546573.db2.gz CICFVJZQGVXSQH-WDSOQIARSA-N 2 1 314.473 3.159 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(OC(F)F)cc1F)C[NH+]1CCCC1 ZINC001660976633 1196548514 /nfs/dbraw/zinc/54/85/14/1196548514.db2.gz NTDQQTQNAYGWOA-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CC[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001661454841 1196607295 /nfs/dbraw/zinc/60/72/95/1196607295.db2.gz WIRFRORMSLPWGT-HKUYNNGSSA-N 2 1 304.478 3.007 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC001662469587 1196723836 /nfs/dbraw/zinc/72/38/36/1196723836.db2.gz FRLRHWISMAZNPP-RBUKOAKNSA-N 2 1 318.505 3.285 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C/c1c(C)cc(C)cc1C ZINC001662788301 1196752164 /nfs/dbraw/zinc/75/21/64/1196752164.db2.gz NLKYGYIUJVFGSL-SGQUHAKNSA-N 2 1 318.505 3.307 20 0 DGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001663532957 1196898187 /nfs/dbraw/zinc/89/81/87/1196898187.db2.gz TYGFOWDOQPHHIQ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc(SCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001663691442 1196929255 /nfs/dbraw/zinc/92/92/55/1196929255.db2.gz ZYWVWRUTDQWCHO-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001664879330 1197074477 /nfs/dbraw/zinc/07/44/77/1197074477.db2.gz QVOQHNMMCAAHJX-SOLBZPMBSA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001664879330 1197074479 /nfs/dbraw/zinc/07/44/79/1197074479.db2.gz QVOQHNMMCAAHJX-SOLBZPMBSA-N 2 1 304.478 3.336 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001664897402 1197077681 /nfs/dbraw/zinc/07/76/81/1197077681.db2.gz YEALQRVUQAUXSH-JKSUJKDBSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001664897402 1197077684 /nfs/dbraw/zinc/07/76/84/1197077684.db2.gz YEALQRVUQAUXSH-JKSUJKDBSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001664984287 1197084155 /nfs/dbraw/zinc/08/41/55/1197084155.db2.gz UPFSUPJQQMWIAH-WBVHZDCISA-N 2 1 302.462 3.090 20 0 DGADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001664984287 1197084160 /nfs/dbraw/zinc/08/41/60/1197084160.db2.gz UPFSUPJQQMWIAH-WBVHZDCISA-N 2 1 302.462 3.090 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCc3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC001665937153 1197217948 /nfs/dbraw/zinc/21/79/48/1197217948.db2.gz NFWLTLRIZASWNY-APHBMKBZSA-N 2 1 313.272 3.466 20 0 DGADMP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001667258274 1197333713 /nfs/dbraw/zinc/33/37/13/1197333713.db2.gz ZYYICNHEVZQJOP-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP c1ccc(C(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000324357273 1197692760 /nfs/dbraw/zinc/69/27/60/1197692760.db2.gz HBPYXRYQUKVFHA-UXHICEINSA-N 2 1 306.453 3.360 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001676817460 1198400425 /nfs/dbraw/zinc/40/04/25/1198400425.db2.gz YKSARXRWAHMHOP-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](C(C)C)CC2 ZINC001676817460 1198400433 /nfs/dbraw/zinc/40/04/33/1198400433.db2.gz YKSARXRWAHMHOP-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](C(C)C)CC2 ZINC001676817460 1198400444 /nfs/dbraw/zinc/40/04/44/1198400444.db2.gz YKSARXRWAHMHOP-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000105456754 1199541307 /nfs/dbraw/zinc/54/13/07/1199541307.db2.gz NJZJNXMZTDDDAK-MRXNPFEDSA-N 2 1 318.461 3.058 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000105456754 1199541313 /nfs/dbraw/zinc/54/13/13/1199541313.db2.gz NJZJNXMZTDDDAK-MRXNPFEDSA-N 2 1 318.461 3.058 20 0 DGADMP COC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309741678 1199710480 /nfs/dbraw/zinc/71/04/80/1199710480.db2.gz RZXPVXWWCNNBSS-XEVCZEQESA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@](O)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310287910 1199715137 /nfs/dbraw/zinc/71/51/37/1199715137.db2.gz MVXIIHFIPJQIOU-TZIWHRDSSA-N 2 1 324.468 3.006 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120641810 1200162865 /nfs/dbraw/zinc/16/28/65/1200162865.db2.gz IATMVDNPBDVUHY-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc(OC)c1 ZINC000120801142 1200171800 /nfs/dbraw/zinc/17/18/00/1200171800.db2.gz IKYUTJLKMMOOBA-INIZCTEOSA-N 2 1 320.477 3.161 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCCCC3)c2)CCO1 ZINC000121692458 1200228030 /nfs/dbraw/zinc/22/80/30/1200228030.db2.gz BHUOTMOHNCDAJM-MRXNPFEDSA-N 2 1 302.462 3.330 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCCCC3)c2)CCO1 ZINC000121692458 1200228035 /nfs/dbraw/zinc/22/80/35/1200228035.db2.gz BHUOTMOHNCDAJM-MRXNPFEDSA-N 2 1 302.462 3.330 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)s2)o1 ZINC000125422518 1200391572 /nfs/dbraw/zinc/39/15/72/1200391572.db2.gz LQSKKHLTONBROV-CYBMUJFWSA-N 2 1 317.458 3.285 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)s2)o1 ZINC000125422518 1200391579 /nfs/dbraw/zinc/39/15/79/1200391579.db2.gz LQSKKHLTONBROV-CYBMUJFWSA-N 2 1 317.458 3.285 20 0 DGADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001755162313 1200668428 /nfs/dbraw/zinc/66/84/28/1200668428.db2.gz SSVVFKYQKFGZJY-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001755162313 1200668432 /nfs/dbraw/zinc/66/84/32/1200668432.db2.gz SSVVFKYQKFGZJY-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001755162313 1200668436 /nfs/dbraw/zinc/66/84/36/1200668436.db2.gz SSVVFKYQKFGZJY-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000127602169 1200692201 /nfs/dbraw/zinc/69/22/01/1200692201.db2.gz VIJSOAXCNIRITC-ZDUSSCGKSA-N 2 1 305.447 3.143 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)s2)o1 ZINC000127602169 1200692203 /nfs/dbraw/zinc/69/22/03/1200692203.db2.gz VIJSOAXCNIRITC-ZDUSSCGKSA-N 2 1 305.447 3.143 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001755364361 1200850266 /nfs/dbraw/zinc/85/02/66/1200850266.db2.gz TXDRPWKPJKLPEW-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001755518658 1200930984 /nfs/dbraw/zinc/93/09/84/1200930984.db2.gz RYAKPHMDQLZDBA-ZWKOTPCHSA-N 2 1 323.525 3.090 20 0 DGADMP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001755518655 1200931148 /nfs/dbraw/zinc/93/11/48/1200931148.db2.gz RYAKPHMDQLZDBA-MSOLQXFVSA-N 2 1 323.525 3.090 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001692118428 1200936435 /nfs/dbraw/zinc/93/64/35/1200936435.db2.gz OUNPEVCINRIWHD-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCSC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000132323960 1201171198 /nfs/dbraw/zinc/17/11/98/1201171198.db2.gz MKXMDQMGDWBVDG-INIZCTEOSA-N 2 1 306.519 3.425 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC000294298554 1201604042 /nfs/dbraw/zinc/60/40/42/1201604042.db2.gz WUIFWXHJQGHHFI-IRCVMFFPSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC000294298554 1201604047 /nfs/dbraw/zinc/60/40/47/1201604047.db2.gz WUIFWXHJQGHHFI-IRCVMFFPSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC000294298554 1201604053 /nfs/dbraw/zinc/60/40/53/1201604053.db2.gz WUIFWXHJQGHHFI-IRCVMFFPSA-N 2 1 314.473 3.006 20 0 DGADMP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700408680 1202264718 /nfs/dbraw/zinc/26/47/18/1202264718.db2.gz JZUPSXUAYXVQIJ-IAGOWNOFSA-N 2 1 323.525 3.090 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700528857 1202305940 /nfs/dbraw/zinc/30/59/40/1202305940.db2.gz LLJRGPADFVBHMZ-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001700531535 1202306711 /nfs/dbraw/zinc/30/67/11/1202306711.db2.gz NYZVHPIIIJOLAO-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753699733 1202316531 /nfs/dbraw/zinc/31/65/31/1202316531.db2.gz CBLAZVKNLFOISI-INIZCTEOSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000151344324 1202592155 /nfs/dbraw/zinc/59/21/55/1202592155.db2.gz AZCGCUIJBWHXFD-UHFFFAOYSA-N 2 1 301.409 3.336 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537257 1202594289 /nfs/dbraw/zinc/59/42/89/1202594289.db2.gz WTMVRKZGQKPMSB-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537257 1202594290 /nfs/dbraw/zinc/59/42/90/1202594290.db2.gz WTMVRKZGQKPMSB-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537257 1202594291 /nfs/dbraw/zinc/59/42/91/1202594291.db2.gz WTMVRKZGQKPMSB-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537257 1202594292 /nfs/dbraw/zinc/59/42/92/1202594292.db2.gz WTMVRKZGQKPMSB-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP Cc1cn2c(C[NH2+]C3CC[NH+](CC(C)C)CC3)c(C)nc2s1 ZINC000236790947 1202625350 /nfs/dbraw/zinc/62/53/50/1202625350.db2.gz WIQZAKQZYDEYJE-UHFFFAOYSA-N 2 1 320.506 3.223 20 0 DGADMP Fc1ccc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160646949 1202636952 /nfs/dbraw/zinc/63/69/52/1202636952.db2.gz ZHTKILYQOWXVLN-UHFFFAOYSA-N 2 1 319.468 3.214 20 0 DGADMP Fc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160646949 1202636953 /nfs/dbraw/zinc/63/69/53/1202636953.db2.gz ZHTKILYQOWXVLN-UHFFFAOYSA-N 2 1 319.468 3.214 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001713431001 1202649273 /nfs/dbraw/zinc/64/92/73/1202649273.db2.gz GQWGWPIQESBGFE-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713431001 1202649274 /nfs/dbraw/zinc/64/92/74/1202649274.db2.gz GQWGWPIQESBGFE-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713431001 1202649275 /nfs/dbraw/zinc/64/92/75/1202649275.db2.gz GQWGWPIQESBGFE-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000237907368 1202792508 /nfs/dbraw/zinc/79/25/08/1202792508.db2.gz UGMYGPVHXYDZON-UHFFFAOYSA-N 2 1 310.388 3.252 20 0 DGADMP CCC[N@H+](CC=C(C)C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001714658126 1203082535 /nfs/dbraw/zinc/08/25/35/1203082535.db2.gz HMMXMLIRKARZOF-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CCC[NH+](CC=C(C)C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714658126 1203082539 /nfs/dbraw/zinc/08/25/39/1203082539.db2.gz HMMXMLIRKARZOF-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CCC[NH+](CC=C(C)C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714658126 1203082543 /nfs/dbraw/zinc/08/25/43/1203082543.db2.gz HMMXMLIRKARZOF-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000163081336 1203526601 /nfs/dbraw/zinc/52/66/01/1203526601.db2.gz MVRCUPPHBOWLCN-UHFFFAOYSA-N 2 1 318.509 3.042 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000173834930 1203886347 /nfs/dbraw/zinc/88/63/47/1203886347.db2.gz MBDOIUYYEOZBMB-CALCHBBNSA-N 2 1 316.489 3.154 20 0 DGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001725619841 1204182241 /nfs/dbraw/zinc/18/22/41/1204182241.db2.gz GAKCQVZABDFKHL-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001725619841 1204182243 /nfs/dbraw/zinc/18/22/43/1204182243.db2.gz GAKCQVZABDFKHL-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001725619841 1204182246 /nfs/dbraw/zinc/18/22/46/1204182246.db2.gz GAKCQVZABDFKHL-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733212988 1205046936 /nfs/dbraw/zinc/04/69/36/1205046936.db2.gz ZFMQOUXWXQBSKK-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001733863866 1205234670 /nfs/dbraw/zinc/23/46/70/1205234670.db2.gz YIWOOUBSHPWAPZ-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164859233 720917752 /nfs/dbraw/zinc/91/77/52/720917752.db2.gz PINURSFDMXNGAM-HNNXBMFYSA-N 2 1 313.449 3.008 20 0 DGADMP Cc1cc[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164859233 720917757 /nfs/dbraw/zinc/91/77/57/720917757.db2.gz PINURSFDMXNGAM-HNNXBMFYSA-N 2 1 313.449 3.008 20 0 DGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCC(F)(F)CC1 ZINC001254213626 1106035745 /nfs/dbraw/zinc/03/57/45/1106035745.db2.gz JHMTZTDUAUVQBY-UHFFFAOYSA-N 3 1 305.457 3.040 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206767461 1081613684 /nfs/dbraw/zinc/61/36/84/1081613684.db2.gz BPMWIMVOIJIZHV-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206767461 1081613685 /nfs/dbraw/zinc/61/36/85/1081613685.db2.gz BPMWIMVOIJIZHV-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP COCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209055300 1081684846 /nfs/dbraw/zinc/68/48/46/1081684846.db2.gz USDOTURKYYEZHB-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209055300 1081684847 /nfs/dbraw/zinc/68/48/47/1081684847.db2.gz USDOTURKYYEZHB-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209055300 1081684848 /nfs/dbraw/zinc/68/48/48/1081684848.db2.gz USDOTURKYYEZHB-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206027711 1081829928 /nfs/dbraw/zinc/82/99/28/1081829928.db2.gz WRBIOOIOTSBALJ-ZYHUDNBSSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)([NH+](C)C)C1 ZINC001648895425 1081955934 /nfs/dbraw/zinc/95/59/34/1081955934.db2.gz OTKODVSVVPQOQQ-FQBWVUSXSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2cccc(Br)c2)CC[NH2+]1 ZINC001210473166 1081967630 /nfs/dbraw/zinc/96/76/30/1081967630.db2.gz BGYLYMREXDOJER-CYBMUJFWSA-N 2 1 311.267 3.066 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)CCC[NH+](C)Cc1ccco1 ZINC001170062205 1081977018 /nfs/dbraw/zinc/97/70/18/1081977018.db2.gz NHCLBLHRRWKSNK-GOSISDBHSA-N 2 1 321.509 3.296 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC001170062205 1081977021 /nfs/dbraw/zinc/97/70/21/1081977021.db2.gz NHCLBLHRRWKSNK-GOSISDBHSA-N 2 1 321.509 3.296 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC001170062205 1081977024 /nfs/dbraw/zinc/97/70/24/1081977024.db2.gz NHCLBLHRRWKSNK-GOSISDBHSA-N 2 1 321.509 3.296 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000706423834 1082006274 /nfs/dbraw/zinc/00/62/74/1082006274.db2.gz AQRSCQYRHBBENG-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP CC(C)CCC[C@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001170091586 1082071019 /nfs/dbraw/zinc/07/10/19/1082071019.db2.gz TVHKMDGGGHLCGC-SFHVURJKSA-N 2 1 309.542 3.161 20 0 DGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001170134410 1082168691 /nfs/dbraw/zinc/16/86/91/1082168691.db2.gz BXYPNUGTYFKCLE-FUHWJXTLSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001170134410 1082168698 /nfs/dbraw/zinc/16/86/98/1082168698.db2.gz BXYPNUGTYFKCLE-FUHWJXTLSA-N 2 1 318.461 3.135 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001266869496 1082288875 /nfs/dbraw/zinc/28/88/75/1082288875.db2.gz YOJSBFFYXFJCSK-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266869490 1082289000 /nfs/dbraw/zinc/28/90/00/1082289000.db2.gz YOJSBFFYXFJCSK-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001170441568 1082452488 /nfs/dbraw/zinc/45/24/88/1082452488.db2.gz HYYPGDIVZOWJTE-INIZCTEOSA-N 2 1 318.461 3.153 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001170441568 1082452491 /nfs/dbraw/zinc/45/24/91/1082452491.db2.gz HYYPGDIVZOWJTE-INIZCTEOSA-N 2 1 318.461 3.153 20 0 DGADMP CC[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC001167552947 1082504995 /nfs/dbraw/zinc/50/49/95/1082504995.db2.gz AQNLIHIBUSONRZ-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OC ZINC001167552947 1082504997 /nfs/dbraw/zinc/50/49/97/1082504997.db2.gz AQNLIHIBUSONRZ-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OC ZINC001167552947 1082505001 /nfs/dbraw/zinc/50/50/01/1082505001.db2.gz AQNLIHIBUSONRZ-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCC/C=C\CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622423 1082599289 /nfs/dbraw/zinc/59/92/89/1082599289.db2.gz HVLFHCKVFBTADU-FPLPWBNLSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000689855593 1082735904 /nfs/dbraw/zinc/73/59/04/1082735904.db2.gz YFFZTSYBIAZMDS-MISYRCLQSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000708548651 1082843413 /nfs/dbraw/zinc/84/34/13/1082843413.db2.gz BOUBYBJUKVGENQ-QRQLOZEOSA-N 2 1 300.446 3.037 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000708587663 1082868876 /nfs/dbraw/zinc/86/88/76/1082868876.db2.gz PRNGAIVMDGUOFL-BHIYHBOVSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615279 1082908338 /nfs/dbraw/zinc/90/83/38/1082908338.db2.gz HCZYQNZOEPSCKH-QAPCUYQASA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615279 1082908343 /nfs/dbraw/zinc/90/83/43/1082908343.db2.gz HCZYQNZOEPSCKH-QAPCUYQASA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)ccc2O1 ZINC001204615279 1082908349 /nfs/dbraw/zinc/90/83/49/1082908349.db2.gz HCZYQNZOEPSCKH-QAPCUYQASA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)ccc2O1 ZINC001204615279 1082908352 /nfs/dbraw/zinc/90/83/52/1082908352.db2.gz HCZYQNZOEPSCKH-QAPCUYQASA-N 2 1 302.462 3.316 20 0 DGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524877 1082934109 /nfs/dbraw/zinc/93/41/09/1082934109.db2.gz MXXQYQJUZYYYRS-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207402105 1082986748 /nfs/dbraw/zinc/98/67/48/1082986748.db2.gz WMTBOBYCAFOOEA-UHFFFAOYSA-N 3 1 307.526 3.057 20 0 DGADMP Cc1[nH+]ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1F ZINC001170631732 1082991257 /nfs/dbraw/zinc/99/12/57/1082991257.db2.gz VTHJJGRVIPCKAE-UHFFFAOYSA-N 2 1 303.425 3.263 20 0 DGADMP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772458 1083329714 /nfs/dbraw/zinc/32/97/14/1083329714.db2.gz DLXAKPDRTYSZLU-HOTGVXAUSA-N 2 1 313.530 3.170 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001134773716 1083330359 /nfs/dbraw/zinc/33/03/59/1083330359.db2.gz QSAJESDECSCBLD-HOTGVXAUSA-N 2 1 323.525 3.090 20 0 DGADMP CCn1cc(C[N@H+](CC)CCC[NH+](C)C)c(-c2ccccc2)n1 ZINC001181505678 1083480187 /nfs/dbraw/zinc/48/01/87/1083480187.db2.gz ICPZWPUKZYFVLK-UHFFFAOYSA-N 2 1 314.477 3.344 20 0 DGADMP CCn1cc(C[N@@H+](CC)CCC[NH+](C)C)c(-c2ccccc2)n1 ZINC001181505678 1083480190 /nfs/dbraw/zinc/48/01/90/1083480190.db2.gz ICPZWPUKZYFVLK-UHFFFAOYSA-N 2 1 314.477 3.344 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cnccc1/C=C/[NH+](C)C ZINC001167754016 1083631549 /nfs/dbraw/zinc/63/15/49/1083631549.db2.gz OONOYDORRUMAFU-SCZPIIQISA-N 2 1 302.466 3.290 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001205263603 1083911348 /nfs/dbraw/zinc/91/13/48/1083911348.db2.gz AGCOPOIIBLXHQS-AWEZNQCLSA-N 2 1 302.340 3.289 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@]1(C)CCCCO1 ZINC001183282973 1083922797 /nfs/dbraw/zinc/92/27/97/1083922797.db2.gz XXWRJOZSHWRLNZ-YZGWKJHDSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274280 1083972276 /nfs/dbraw/zinc/97/22/76/1083972276.db2.gz UTOJVHDAPWPJTF-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274280 1083972284 /nfs/dbraw/zinc/97/22/84/1083972284.db2.gz UTOJVHDAPWPJTF-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001167824302 1084112843 /nfs/dbraw/zinc/11/28/43/1084112843.db2.gz DIBQLEYUZJYCMC-HOTGVXAUSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001167827118 1084120671 /nfs/dbraw/zinc/12/06/71/1084120671.db2.gz SZSCXZBSBCCBOL-HOCLYGCPSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001167827118 1084120674 /nfs/dbraw/zinc/12/06/74/1084120674.db2.gz SZSCXZBSBCCBOL-HOCLYGCPSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001167827846 1084125665 /nfs/dbraw/zinc/12/56/65/1084125665.db2.gz YICIQQGUCTXOOZ-IEBWSBKVSA-N 2 1 319.493 3.435 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(c2cccnc2)CC1 ZINC001167834147 1084148180 /nfs/dbraw/zinc/14/81/80/1084148180.db2.gz IELGZSSAYFJROW-GOSISDBHSA-N 2 1 318.509 3.104 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]1C ZINC001167837223 1084161923 /nfs/dbraw/zinc/16/19/23/1084161923.db2.gz JRIDZCYMLXKUOI-BBWFWOEESA-N 2 1 312.498 3.161 20 0 DGADMP CCc1noc([C@H]2CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167837767 1084163697 /nfs/dbraw/zinc/16/36/97/1084163697.db2.gz MGYMAOAJYLMNGA-HOTGVXAUSA-N 2 1 322.497 3.322 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001167839704 1084164846 /nfs/dbraw/zinc/16/48/46/1084164846.db2.gz BKCYZFVDHCEWLO-CABCVRRESA-N 2 1 300.487 3.159 20 0 DGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184386956 1084168001 /nfs/dbraw/zinc/16/80/01/1084168001.db2.gz FIVDVUIMRVRJAV-QMCVQRASSA-N 2 1 304.503 3.269 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001167842882 1084189451 /nfs/dbraw/zinc/18/94/51/1084189451.db2.gz ZMPICFSBNPSBBP-ICSRJNTNSA-N 2 1 318.505 3.440 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305879 1084239501 /nfs/dbraw/zinc/23/95/01/1084239501.db2.gz TVQIANFCMWKYDZ-JQWIXIFHSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305879 1084239509 /nfs/dbraw/zinc/23/95/09/1084239509.db2.gz TVQIANFCMWKYDZ-JQWIXIFHSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1C(F)(F)F ZINC001186620842 1084674647 /nfs/dbraw/zinc/67/46/47/1084674647.db2.gz PZNNYLXYKZCNIT-CYBMUJFWSA-N 2 1 323.362 3.455 20 0 DGADMP CCOC(=O)c1csc2cc(NC(=[NH2+])SCC[NH3+])ccc21 ZINC001167916297 1084702326 /nfs/dbraw/zinc/70/23/26/1084702326.db2.gz QSDICJREYGYKEA-UHFFFAOYSA-N 2 1 323.443 3.117 20 0 DGADMP Clc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167958113 1085611212 /nfs/dbraw/zinc/61/12/12/1085611212.db2.gz CECSKFGHIZZABU-MQVJKMGUSA-N 2 1 305.853 3.230 20 0 DGADMP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167958113 1085611220 /nfs/dbraw/zinc/61/12/20/1085611220.db2.gz CECSKFGHIZZABU-MQVJKMGUSA-N 2 1 305.853 3.230 20 0 DGADMP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167958113 1085611223 /nfs/dbraw/zinc/61/12/23/1085611223.db2.gz CECSKFGHIZZABU-MQVJKMGUSA-N 2 1 305.853 3.230 20 0 DGADMP c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167959499 1085643909 /nfs/dbraw/zinc/64/39/09/1085643909.db2.gz QKIKPQIHSGHSHG-AYHJJNSGSA-N 2 1 300.446 3.060 20 0 DGADMP CC1CC[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961344 1085704848 /nfs/dbraw/zinc/70/48/48/1085704848.db2.gz INGZRJASTBKGKY-IHWFROFDSA-N 2 1 319.537 3.103 20 0 DGADMP CC1CC[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167961344 1085704857 /nfs/dbraw/zinc/70/48/57/1085704857.db2.gz INGZRJASTBKGKY-IHWFROFDSA-N 3 1 319.537 3.103 20 0 DGADMP CC1CC[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961344 1085704866 /nfs/dbraw/zinc/70/48/66/1085704866.db2.gz INGZRJASTBKGKY-IHWFROFDSA-N 3 1 319.537 3.103 20 0 DGADMP [NH3+]Cc1nn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167964831 1085840357 /nfs/dbraw/zinc/84/03/57/1085840357.db2.gz YNCOFWLFIPNRCN-XYPWUTKMSA-N 2 1 310.445 3.073 20 0 DGADMP [NH3+]Cc1cccc2ncn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c21 ZINC001167974402 1085913848 /nfs/dbraw/zinc/91/38/48/1085913848.db2.gz ZLSNIPZBFKOBSN-SJPCQFCGSA-N 2 1 310.445 3.073 20 0 DGADMP COCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167973159 1085913959 /nfs/dbraw/zinc/91/39/59/1085913959.db2.gz IDROYRZDGLEKJK-IHWFROFDSA-N 2 1 314.473 3.328 20 0 DGADMP FC(F)(F)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995345 1086061558 /nfs/dbraw/zinc/06/15/58/1086061558.db2.gz BTTRKJSZMOPPBZ-RDGKXADDSA-N 2 1 302.384 3.276 20 0 DGADMP FC(F)(F)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995345 1086061568 /nfs/dbraw/zinc/06/15/68/1086061568.db2.gz BTTRKJSZMOPPBZ-RDGKXADDSA-N 2 1 302.384 3.276 20 0 DGADMP FC(F)(F)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995345 1086061577 /nfs/dbraw/zinc/06/15/77/1086061577.db2.gz BTTRKJSZMOPPBZ-RDGKXADDSA-N 2 1 302.384 3.276 20 0 DGADMP c1cnc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167995573 1086063614 /nfs/dbraw/zinc/06/36/14/1086063614.db2.gz JLFSZRROPPMSKA-SUTQANCOSA-N 2 1 312.461 3.019 20 0 DGADMP c1cnc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167995573 1086063623 /nfs/dbraw/zinc/06/36/23/1086063623.db2.gz JLFSZRROPPMSKA-SUTQANCOSA-N 2 1 312.461 3.019 20 0 DGADMP c1cnc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001167995573 1086063630 /nfs/dbraw/zinc/06/36/30/1086063630.db2.gz JLFSZRROPPMSKA-SUTQANCOSA-N 2 1 312.461 3.019 20 0 DGADMP c1cnc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001167995573 1086063642 /nfs/dbraw/zinc/06/36/42/1086063642.db2.gz JLFSZRROPPMSKA-SUTQANCOSA-N 2 1 312.461 3.019 20 0 DGADMP c1cc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)ccn1 ZINC001167995626 1086064563 /nfs/dbraw/zinc/06/45/63/1086064563.db2.gz LSHFVTPJEDAYTJ-GURQWTFNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cc([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995626 1086064574 /nfs/dbraw/zinc/06/45/74/1086064574.db2.gz LSHFVTPJEDAYTJ-GURQWTFNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995626 1086064583 /nfs/dbraw/zinc/06/45/83/1086064583.db2.gz LSHFVTPJEDAYTJ-GURQWTFNSA-N 2 1 311.473 3.276 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168009121 1086175882 /nfs/dbraw/zinc/17/58/82/1086175882.db2.gz GYABSUUDNWHSBR-ROUUACIJSA-N 2 1 317.521 3.487 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168009121 1086175886 /nfs/dbraw/zinc/17/58/86/1086175886.db2.gz GYABSUUDNWHSBR-ROUUACIJSA-N 2 1 317.521 3.487 20 0 DGADMP CCCN(CCC[NH3+])[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009238 1086176918 /nfs/dbraw/zinc/17/69/18/1086176918.db2.gz HNRIIFIEEPJQQI-OPVJXMOQSA-N 2 1 317.521 3.489 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012518 1086242883 /nfs/dbraw/zinc/24/28/83/1086242883.db2.gz BHWSIVBOLCUMQY-LHDHZVESSA-N 2 1 316.489 3.321 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019353 1086341198 /nfs/dbraw/zinc/34/11/98/1086341198.db2.gz IDDPKXOXLDPBJH-HHUCQEJWSA-N 2 1 316.489 3.321 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749710 1086394653 /nfs/dbraw/zinc/39/46/53/1086394653.db2.gz VYCRXOKXQRTOKL-OKZBNKHCSA-N 2 1 323.525 3.020 20 0 DGADMP COC(C)(C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC001168025882 1086434038 /nfs/dbraw/zinc/43/40/38/1086434038.db2.gz KGHXRGWMGQXKJU-HZPDHXFCSA-N 2 1 320.477 3.027 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168026923 1086444399 /nfs/dbraw/zinc/44/43/99/1086444399.db2.gz MGLWXYUEBGSBNQ-CSFFLVESSA-N 2 1 316.489 3.177 20 0 DGADMP C[C@H]1CC([NH2+][C@H]2CCOC[C@@H]2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032105 1086465137 /nfs/dbraw/zinc/46/51/37/1086465137.db2.gz FESRTIWVXIHBCS-LNMJFAINSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3COC[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047024 1086532528 /nfs/dbraw/zinc/53/25/28/1086532528.db2.gz QAWAEAJNFGIZIW-IRCVMFFPSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047024 1086532536 /nfs/dbraw/zinc/53/25/36/1086532536.db2.gz QAWAEAJNFGIZIW-IRCVMFFPSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047024 1086532542 /nfs/dbraw/zinc/53/25/42/1086532542.db2.gz QAWAEAJNFGIZIW-IRCVMFFPSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001168093230 1086851365 /nfs/dbraw/zinc/85/13/65/1086851365.db2.gz MGOGFXDQZMLKGS-CZUORRHYSA-N 2 1 308.853 3.157 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001168121959 1086945492 /nfs/dbraw/zinc/94/54/92/1086945492.db2.gz ONUZFDKSDQSCIS-WMZOPIPTSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168136944 1086969742 /nfs/dbraw/zinc/96/97/42/1086969742.db2.gz MIMXMDFFYYBWJH-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C)CC3)C2)C1 ZINC001168211949 1087059266 /nfs/dbraw/zinc/05/92/66/1087059266.db2.gz KLTLQVUTHVRHLC-ACBHZAAOSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C)CC3)C2)C1 ZINC001168211949 1087059271 /nfs/dbraw/zinc/05/92/71/1087059271.db2.gz KLTLQVUTHVRHLC-ACBHZAAOSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(C)CC3)C2)C1 ZINC001168211949 1087059275 /nfs/dbraw/zinc/05/92/75/1087059275.db2.gz KLTLQVUTHVRHLC-ACBHZAAOSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(C)CC3)C2)C1 ZINC001168211949 1087059279 /nfs/dbraw/zinc/05/92/79/1087059279.db2.gz KLTLQVUTHVRHLC-ACBHZAAOSA-N 2 1 308.510 3.388 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001168326549 1087295638 /nfs/dbraw/zinc/29/56/38/1087295638.db2.gz AYGQDHLJMYVMPE-JMLCCBQJSA-N 2 1 324.415 3.211 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001168326549 1087295645 /nfs/dbraw/zinc/29/56/45/1087295645.db2.gz AYGQDHLJMYVMPE-JMLCCBQJSA-N 2 1 324.415 3.211 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168330315 1087296539 /nfs/dbraw/zinc/29/65/39/1087296539.db2.gz PACHRXMPYHJZMY-ABHNRTSZSA-N 2 1 317.477 3.106 20 0 DGADMP COc1cc(OC)cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168362931 1087373862 /nfs/dbraw/zinc/37/38/62/1087373862.db2.gz NGBJMCRKUUWGFF-AWEZNQCLSA-N 2 1 318.461 3.229 20 0 DGADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)ccc1F ZINC001212142382 1087519190 /nfs/dbraw/zinc/51/91/90/1087519190.db2.gz KBRWWTUKONUBLQ-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010787 1087600749 /nfs/dbraw/zinc/60/07/49/1087600749.db2.gz RDGJSQGTEFEHCD-LBPRGKRZSA-N 2 1 311.267 3.442 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@](C)(C[NH3+])C2)nc1 ZINC001158683802 1087976991 /nfs/dbraw/zinc/97/69/91/1087976991.db2.gz JKICRAZAURJCKP-PKOBYXMFSA-N 2 1 316.493 3.194 20 0 DGADMP CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153446166 1088250079 /nfs/dbraw/zinc/25/00/79/1088250079.db2.gz QPNYNAUZTMUIKR-JKSUJKDBSA-N 2 1 322.497 3.023 20 0 DGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153446166 1088250098 /nfs/dbraw/zinc/25/00/98/1088250098.db2.gz QPNYNAUZTMUIKR-JKSUJKDBSA-N 2 1 322.497 3.023 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235937934 1088482725 /nfs/dbraw/zinc/48/27/25/1088482725.db2.gz JRLBFYZXWPHYSU-ZIAGYGMSSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235937934 1088482728 /nfs/dbraw/zinc/48/27/28/1088482728.db2.gz JRLBFYZXWPHYSU-ZIAGYGMSSA-N 2 1 323.278 3.107 20 0 DGADMP c1[nH]c2ccc(Nc3cccc(O[C@H]4CCC[NH2+]C4)c3)cc2[nH+]1 ZINC001160217784 1088703310 /nfs/dbraw/zinc/70/33/10/1088703310.db2.gz BCYYQHPCCAOXGD-INIZCTEOSA-N 2 1 308.385 3.437 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219671 1088727005 /nfs/dbraw/zinc/72/70/05/1088727005.db2.gz XHVIFAPJCKTDNR-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219671 1088727016 /nfs/dbraw/zinc/72/70/16/1088727016.db2.gz XHVIFAPJCKTDNR-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(N3CCCC3)cc[nH+]1)C2 ZINC001160473412 1088826253 /nfs/dbraw/zinc/82/62/53/1088826253.db2.gz ZGYUCVTZSSGMRW-PHZGNYQRSA-N 2 1 300.450 3.109 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001155034487 1088908583 /nfs/dbraw/zinc/90/85/83/1088908583.db2.gz WVNUTDQRZQCORN-UONOGXRCSA-N 2 1 301.438 3.060 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc1 ZINC001155039716 1088912055 /nfs/dbraw/zinc/91/20/55/1088912055.db2.gz XULGMLKTOQKJBK-ULQDDVLXSA-N 2 1 320.456 3.131 20 0 DGADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@@H]1Nc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001160743891 1088939828 /nfs/dbraw/zinc/93/98/28/1088939828.db2.gz OYHNCUYFUYRTPL-YPMHNXCESA-N 2 1 324.350 3.004 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407639 1089051303 /nfs/dbraw/zinc/05/13/03/1089051303.db2.gz GITSIPLGKWPBEB-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407639 1089051317 /nfs/dbraw/zinc/05/13/17/1089051317.db2.gz GITSIPLGKWPBEB-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155599254 1089181274 /nfs/dbraw/zinc/18/12/74/1089181274.db2.gz SCYILOMBQLYYIU-HNAYVOBHSA-N 2 1 311.429 3.114 20 0 DGADMP C[C@@H](CCc1ccccc1)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001161613516 1089310901 /nfs/dbraw/zinc/31/09/01/1089310901.db2.gz YOKJRQAAVRPZKG-HNNXBMFYSA-N 2 1 320.440 3.454 20 0 DGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749744 1089384749 /nfs/dbraw/zinc/38/47/49/1089384749.db2.gz JEUDHJWKZMUCMT-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749744 1089384753 /nfs/dbraw/zinc/38/47/53/1089384753.db2.gz JEUDHJWKZMUCMT-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161749744 1089384762 /nfs/dbraw/zinc/38/47/62/1089384762.db2.gz JEUDHJWKZMUCMT-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161758636 1089385876 /nfs/dbraw/zinc/38/58/76/1089385876.db2.gz JUWZQRBPOFIPIX-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161758636 1089385886 /nfs/dbraw/zinc/38/58/86/1089385886.db2.gz JUWZQRBPOFIPIX-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161758636 1089385897 /nfs/dbraw/zinc/38/58/97/1089385897.db2.gz JUWZQRBPOFIPIX-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001162460679 1089742719 /nfs/dbraw/zinc/74/27/19/1089742719.db2.gz JTCJMRKXVFDIKQ-UONOGXRCSA-N 2 1 312.461 3.489 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001162464928 1089747681 /nfs/dbraw/zinc/74/76/81/1089747681.db2.gz AMWDDMGJSJWSHQ-QAPCUYQASA-N 2 1 313.489 3.433 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001162472043 1089751159 /nfs/dbraw/zinc/75/11/59/1089751159.db2.gz TYQNAKSMTFFYGG-STQMWFEESA-N 2 1 311.420 3.074 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCNc1nc(N2CCCCC2)cc[nH+]1 ZINC001156929740 1089754197 /nfs/dbraw/zinc/75/41/97/1089754197.db2.gz YICFKRLTCZDYRT-INIZCTEOSA-N 2 1 317.481 3.143 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1nc(N2CCCCC2)cc[nH+]1 ZINC001156929740 1089754211 /nfs/dbraw/zinc/75/42/11/1089754211.db2.gz YICFKRLTCZDYRT-INIZCTEOSA-N 2 1 317.481 3.143 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098721 1089823239 /nfs/dbraw/zinc/82/32/39/1089823239.db2.gz VLHCQNAENSSWAR-IPLHWJFFSA-N 2 1 323.525 3.045 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109760 1089826037 /nfs/dbraw/zinc/82/60/37/1089826037.db2.gz VAMWOGJKFBDDGV-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP CCC[N@@H+](Cc1csc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844466 1090072154 /nfs/dbraw/zinc/07/21/54/1090072154.db2.gz VFRHNPUXDOTKHW-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+](Cc1csc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844466 1090072163 /nfs/dbraw/zinc/07/21/63/1090072163.db2.gz VFRHNPUXDOTKHW-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC2(CC)C[NH2+]C2)nc1 ZINC001157787660 1090110875 /nfs/dbraw/zinc/11/08/75/1090110875.db2.gz KCAMLKKOWSRNRH-MRXNPFEDSA-N 2 1 302.466 3.183 20 0 DGADMP Cc1ccc2cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]cc2c1 ZINC001163273551 1090137091 /nfs/dbraw/zinc/13/70/91/1090137091.db2.gz ZMHRJHRFPMOXLU-DNVCBOLYSA-N 2 1 311.429 3.114 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(N(CCC[NH3+])C(C)C)c(C)c2)CC1 ZINC001164121649 1090347868 /nfs/dbraw/zinc/34/78/68/1090347868.db2.gz SMWNGRUQZDEAOL-UHFFFAOYSA-N 2 1 316.493 3.063 20 0 DGADMP CCCCC[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC001238176600 1090352896 /nfs/dbraw/zinc/35/28/96/1090352896.db2.gz WDSIHYHDNXEAGE-UHFFFAOYSA-N 2 1 305.466 3.015 20 0 DGADMP C[NH+](C)C1(CNc2cc(F)c3ccccc3c2)CC[NH+](C)CC1 ZINC001164216472 1090374513 /nfs/dbraw/zinc/37/45/13/1090374513.db2.gz CYHBUZYSXSHRAB-UHFFFAOYSA-N 2 1 315.436 3.417 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001165107373 1090466020 /nfs/dbraw/zinc/46/60/20/1090466020.db2.gz DYCFKLZFCKKMNX-GOSISDBHSA-N 2 1 315.461 3.039 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001165107373 1090466021 /nfs/dbraw/zinc/46/60/21/1090466021.db2.gz DYCFKLZFCKKMNX-GOSISDBHSA-N 2 1 315.461 3.039 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C[C@@H]2CC[NH2+]C2)nc1 ZINC001165126287 1090468085 /nfs/dbraw/zinc/46/80/85/1090468085.db2.gz YGNIGPNYNOEUAJ-AEFFLSMTSA-N 2 1 316.493 3.064 20 0 DGADMP Cc1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)[nH+]c1C ZINC001165303034 1090499395 /nfs/dbraw/zinc/49/93/95/1090499395.db2.gz AKFIRBUPMMAGFL-ZDUSSCGKSA-N 2 1 313.367 3.352 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC001142930558 1090531236 /nfs/dbraw/zinc/53/12/36/1090531236.db2.gz KQCLGOQQVVSAFL-UHFFFAOYSA-N 2 1 302.462 3.372 20 0 DGADMP COc1ccc([C@H]2C[C@H]([N@@H+](C)C3CCC([NH3+])CC3)CCO2)cc1 ZINC001168594376 1090595105 /nfs/dbraw/zinc/59/51/05/1090595105.db2.gz GTRLCRYFHZRTQW-HTPOPCQBSA-N 2 1 318.461 3.117 20 0 DGADMP COc1cccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c21 ZINC001276408951 1090720423 /nfs/dbraw/zinc/72/04/23/1090720423.db2.gz PZHKSXIFLUFAEP-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c21 ZINC001276408951 1090720430 /nfs/dbraw/zinc/72/04/30/1090720430.db2.gz PZHKSXIFLUFAEP-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2[nH]cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c21 ZINC001276408951 1090720434 /nfs/dbraw/zinc/72/04/34/1090720434.db2.gz PZHKSXIFLUFAEP-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2[nH]cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)c21 ZINC001276408951 1090720437 /nfs/dbraw/zinc/72/04/37/1090720437.db2.gz PZHKSXIFLUFAEP-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001203727468 1090790574 /nfs/dbraw/zinc/79/05/74/1090790574.db2.gz LMVHVZVJXDMNCO-PPRPKMEESA-N 2 1 316.464 3.467 20 0 DGADMP COc1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)cc1OC ZINC001203841716 1090818043 /nfs/dbraw/zinc/81/80/43/1090818043.db2.gz UIXZVOSTDWKGNA-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)cc(F)cc3Cl)C[C@H]2CC1 ZINC001276425198 1090822745 /nfs/dbraw/zinc/82/27/45/1090822745.db2.gz RCZIMCDFFRSRRP-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)cc(F)cc3Cl)C[C@H]2CC1 ZINC001276425198 1090822752 /nfs/dbraw/zinc/82/27/52/1090822752.db2.gz RCZIMCDFFRSRRP-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)cc(F)cc3Cl)C[C@H]2CC1 ZINC001276425198 1090822758 /nfs/dbraw/zinc/82/27/58/1090822758.db2.gz RCZIMCDFFRSRRP-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001486461796 1090846344 /nfs/dbraw/zinc/84/63/44/1090846344.db2.gz YEOPHZIDYUDYOF-ABHNRTSZSA-N 2 1 323.525 3.019 20 0 DGADMP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001203956460 1090850849 /nfs/dbraw/zinc/85/08/49/1090850849.db2.gz YXAHRZRJNMOJIH-PMACEKPBSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc2ccccc21 ZINC001203982485 1090857944 /nfs/dbraw/zinc/85/79/44/1090857944.db2.gz RJLCWZDLIYLRKH-LEWJYISDSA-N 2 1 323.484 3.050 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204004630 1090865389 /nfs/dbraw/zinc/86/53/89/1090865389.db2.gz FQDNSVZHUFCLJQ-GOSISDBHSA-N 2 1 313.445 3.484 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204065336 1090889152 /nfs/dbraw/zinc/88/91/52/1090889152.db2.gz GAYHFNCVLMFHFJ-UXHICEINSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204065336 1090889160 /nfs/dbraw/zinc/88/91/60/1090889160.db2.gz GAYHFNCVLMFHFJ-UXHICEINSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204065336 1090889164 /nfs/dbraw/zinc/88/91/64/1090889164.db2.gz GAYHFNCVLMFHFJ-UXHICEINSA-N 2 1 321.468 3.426 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccncc2)CC3)co1 ZINC001204079385 1090894634 /nfs/dbraw/zinc/89/46/34/1090894634.db2.gz XCLAPTMTOVSMPK-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@@H]2C1 ZINC001204090260 1090899731 /nfs/dbraw/zinc/89/97/31/1090899731.db2.gz VMIAMQCVLUQDHX-TUAOUCFPSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@@H]2C1 ZINC001204090260 1090899735 /nfs/dbraw/zinc/89/97/35/1090899735.db2.gz VMIAMQCVLUQDHX-TUAOUCFPSA-N 2 1 304.381 3.197 20 0 DGADMP C([C@H]1CCCCO1)[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276442383 1090904729 /nfs/dbraw/zinc/90/47/29/1090904729.db2.gz CIRSCPLWPWYZSL-ZIFCJYIRSA-N 2 1 306.494 3.142 20 0 DGADMP C([C@H]1CCCCO1)[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276442383 1090904735 /nfs/dbraw/zinc/90/47/35/1090904735.db2.gz CIRSCPLWPWYZSL-ZIFCJYIRSA-N 2 1 306.494 3.142 20 0 DGADMP C([C@H]1CCCCO1)[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276442383 1090904738 /nfs/dbraw/zinc/90/47/38/1090904738.db2.gz CIRSCPLWPWYZSL-ZIFCJYIRSA-N 2 1 306.494 3.142 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccc1O ZINC001204118575 1090905438 /nfs/dbraw/zinc/90/54/38/1090905438.db2.gz RADHEXGWSVEPTI-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccc1O ZINC001204118575 1090905443 /nfs/dbraw/zinc/90/54/43/1090905443.db2.gz RADHEXGWSVEPTI-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)ccc1O ZINC001204118575 1090905450 /nfs/dbraw/zinc/90/54/50/1090905450.db2.gz RADHEXGWSVEPTI-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)ccc1O ZINC001204118575 1090905456 /nfs/dbraw/zinc/90/54/56/1090905456.db2.gz RADHEXGWSVEPTI-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC001204269226 1090937145 /nfs/dbraw/zinc/93/71/45/1090937145.db2.gz XRXBOYRHPHBNRN-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001204271663 1090937162 /nfs/dbraw/zinc/93/71/62/1090937162.db2.gz QNMIUMDSMGYRKO-INIZCTEOSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC001204268393 1090937320 /nfs/dbraw/zinc/93/73/20/1090937320.db2.gz KDAZKQOONUKXLA-QGZVFWFLSA-N 2 1 324.415 3.248 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497078 1090983069 /nfs/dbraw/zinc/98/30/69/1090983069.db2.gz LKKXAKYLNHZYEK-ICSRJNTNSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497078 1090983075 /nfs/dbraw/zinc/98/30/75/1090983075.db2.gz LKKXAKYLNHZYEK-ICSRJNTNSA-N 2 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497078 1090983081 /nfs/dbraw/zinc/98/30/81/1090983081.db2.gz LKKXAKYLNHZYEK-ICSRJNTNSA-N 2 1 321.553 3.305 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3cc(C)cc(C)c3)CC2)CC1 ZINC001204524095 1090990439 /nfs/dbraw/zinc/99/04/39/1090990439.db2.gz HGTZSUNZFZMNNB-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP C[N@@H+](CCc1ccccc1)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204604469 1091005948 /nfs/dbraw/zinc/00/59/48/1091005948.db2.gz QFNBUAJEBQDVHK-UHFFFAOYSA-N 2 1 319.452 3.419 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC001204757268 1091031309 /nfs/dbraw/zinc/03/13/09/1091031309.db2.gz XRKNDFRFMOOKPX-LJQANCHMSA-N 2 1 312.413 3.029 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC001204757268 1091031317 /nfs/dbraw/zinc/03/13/17/1091031317.db2.gz XRKNDFRFMOOKPX-LJQANCHMSA-N 2 1 312.413 3.029 20 0 DGADMP CCCCCCc1ccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)s1 ZINC001204756430 1091031408 /nfs/dbraw/zinc/03/14/08/1091031408.db2.gz OVXKVTFFEWFUKI-OAHLLOKOSA-N 2 1 310.507 3.421 20 0 DGADMP CCCCCCc1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)s1 ZINC001204756430 1091031414 /nfs/dbraw/zinc/03/14/14/1091031414.db2.gz OVXKVTFFEWFUKI-OAHLLOKOSA-N 2 1 310.507 3.421 20 0 DGADMP CCCCCCc1ccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)s1 ZINC001204756427 1091032117 /nfs/dbraw/zinc/03/21/17/1091032117.db2.gz OVXKVTFFEWFUKI-HNNXBMFYSA-N 2 1 310.507 3.421 20 0 DGADMP CCCCCCc1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)s1 ZINC001204756427 1091032124 /nfs/dbraw/zinc/03/21/24/1091032124.db2.gz OVXKVTFFEWFUKI-HNNXBMFYSA-N 2 1 310.507 3.421 20 0 DGADMP CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870034 1091051322 /nfs/dbraw/zinc/05/13/22/1091051322.db2.gz NEKBMQJUHBXEHM-RDJZCZTQSA-N 2 1 320.477 3.063 20 0 DGADMP CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870034 1091051326 /nfs/dbraw/zinc/05/13/26/1091051326.db2.gz NEKBMQJUHBXEHM-RDJZCZTQSA-N 2 1 320.477 3.063 20 0 DGADMP CC[N@@H+](CC1(F)CC[NH2+]CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204869793 1091051492 /nfs/dbraw/zinc/05/14/92/1091051492.db2.gz JLHWHXPCEBCVAS-HNNXBMFYSA-N 2 1 308.441 3.040 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001204869528 1091051726 /nfs/dbraw/zinc/05/17/26/1091051726.db2.gz BIJYUSJMXLNROW-SJLPKXTDSA-N 2 1 304.478 3.480 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001204869526 1091052095 /nfs/dbraw/zinc/05/20/95/1091052095.db2.gz BIJYUSJMXLNROW-AEFFLSMTSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@@H]1CN(C[C@@H]([NH3+])c2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204897259 1091058133 /nfs/dbraw/zinc/05/81/33/1091058133.db2.gz VFJRFFUHKRRXDD-LVCYWYKZSA-N 2 1 323.484 3.281 20 0 DGADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)cc2)cc1 ZINC001204918768 1091063257 /nfs/dbraw/zinc/06/32/57/1091063257.db2.gz LFSLGDHBUOWFEO-MZADTFQBSA-N 2 1 321.468 3.399 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001205015375 1091084286 /nfs/dbraw/zinc/08/42/86/1091084286.db2.gz CHBGXQBITFPKEG-QGZVFWFLSA-N 2 1 309.457 3.488 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001205015375 1091084292 /nfs/dbraw/zinc/08/42/92/1091084292.db2.gz CHBGXQBITFPKEG-QGZVFWFLSA-N 2 1 309.457 3.488 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc(C)c1Br ZINC001205117720 1091106726 /nfs/dbraw/zinc/10/67/26/1091106726.db2.gz SQSLDAOMLZLTQW-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C)c1Br ZINC001205117720 1091106729 /nfs/dbraw/zinc/10/67/29/1091106729.db2.gz SQSLDAOMLZLTQW-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1OC1CCCC1 ZINC001205110757 1091105581 /nfs/dbraw/zinc/10/55/81/1091105581.db2.gz ZQWYXURBHPESBC-MRXNPFEDSA-N 2 1 318.461 3.330 20 0 DGADMP Cc1ccc2nc(Cl)c(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC001205136134 1091110998 /nfs/dbraw/zinc/11/09/98/1091110998.db2.gz QGPBLKHRWDRMEM-SWLSCSKDSA-N 2 1 303.837 3.223 20 0 DGADMP Cc1ccc2nc(Cl)c(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC001205136134 1091111004 /nfs/dbraw/zinc/11/10/04/1091111004.db2.gz QGPBLKHRWDRMEM-SWLSCSKDSA-N 2 1 303.837 3.223 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205145793 1091112351 /nfs/dbraw/zinc/11/23/51/1091112351.db2.gz HLBIJTRMRNQDOF-GXSJLCMTSA-N 2 1 306.759 3.385 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205145793 1091112355 /nfs/dbraw/zinc/11/23/55/1091112355.db2.gz HLBIJTRMRNQDOF-GXSJLCMTSA-N 2 1 306.759 3.385 20 0 DGADMP COc1cccc(F)c1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001138383829 1091159968 /nfs/dbraw/zinc/15/99/68/1091159968.db2.gz JNQOANDHJSTVEK-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP C[C@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)C[C@H]1C[NH3+] ZINC001205304044 1091174739 /nfs/dbraw/zinc/17/47/39/1091174739.db2.gz NFJVVVUWKQMILQ-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)C[C@H]1C[NH3+] ZINC001205304044 1091174746 /nfs/dbraw/zinc/17/47/46/1091174746.db2.gz NFJVVVUWKQMILQ-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305100 1091177302 /nfs/dbraw/zinc/17/73/02/1091177302.db2.gz RAPKAIGSVMDDIP-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305100 1091177309 /nfs/dbraw/zinc/17/73/09/1091177309.db2.gz RAPKAIGSVMDDIP-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C)cc3)C[C@H]2C1 ZINC001138450641 1091189798 /nfs/dbraw/zinc/18/97/98/1091189798.db2.gz VKYHEAYSEVXUMM-RTBURBONSA-N 2 1 324.472 3.159 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@@H+](C)C[C@H]1CNCCO1 ZINC001205376967 1091205344 /nfs/dbraw/zinc/20/53/44/1091205344.db2.gz PTAAUJYRBXDMGN-GOSISDBHSA-N 2 1 310.441 3.082 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)cc1 ZINC001138544665 1091223175 /nfs/dbraw/zinc/22/31/75/1091223175.db2.gz MHQXBOCZVHYWON-LJQANCHMSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)cc1 ZINC001138544665 1091223182 /nfs/dbraw/zinc/22/31/82/1091223182.db2.gz MHQXBOCZVHYWON-LJQANCHMSA-N 2 1 313.445 3.164 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cc(OC)ccc23)CC1 ZINC001138589310 1091244085 /nfs/dbraw/zinc/24/40/85/1091244085.db2.gz ZNINPRAQJWQTIG-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cc(OC)ccc23)CC1 ZINC001138589310 1091244090 /nfs/dbraw/zinc/24/40/90/1091244090.db2.gz ZNINPRAQJWQTIG-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP COc1ccc2c(C[N@H+](C)CCC[NH+]3CCCC3)c[nH]c2c1 ZINC001138588310 1091244915 /nfs/dbraw/zinc/24/49/15/1091244915.db2.gz ODGLGUVQISWUCE-UHFFFAOYSA-N 2 1 301.434 3.094 20 0 DGADMP COc1ccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)c[nH]c2c1 ZINC001138588310 1091244927 /nfs/dbraw/zinc/24/49/27/1091244927.db2.gz ODGLGUVQISWUCE-UHFFFAOYSA-N 2 1 301.434 3.094 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)[nH]1 ZINC001205558243 1091252766 /nfs/dbraw/zinc/25/27/66/1091252766.db2.gz DAQYPBOFCLMDCR-HNNXBMFYSA-N 2 1 316.852 3.059 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)[nH]1 ZINC001205558243 1091252769 /nfs/dbraw/zinc/25/27/69/1091252769.db2.gz DAQYPBOFCLMDCR-HNNXBMFYSA-N 2 1 316.852 3.059 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001205559761 1091253698 /nfs/dbraw/zinc/25/36/98/1091253698.db2.gz UOPDQBCPWXAQBN-GOSISDBHSA-N 2 1 302.393 3.198 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205560056 1091255351 /nfs/dbraw/zinc/25/53/51/1091255351.db2.gz YPOSWSPKAGLKCM-KRWDZBQOSA-N 2 1 307.388 3.268 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC001205578577 1091265083 /nfs/dbraw/zinc/26/50/83/1091265083.db2.gz GBNBBUREMUGZKN-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC001205578577 1091265086 /nfs/dbraw/zinc/26/50/86/1091265086.db2.gz GBNBBUREMUGZKN-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205582902 1091266459 /nfs/dbraw/zinc/26/64/59/1091266459.db2.gz ZNUFAMMKXUNNMR-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205582902 1091266467 /nfs/dbraw/zinc/26/64/67/1091266467.db2.gz ZNUFAMMKXUNNMR-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP CCCn1ncc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001138640105 1091270895 /nfs/dbraw/zinc/27/08/95/1091270895.db2.gz HBGXZIWIKHEFJM-OALUTQOASA-N 2 1 318.509 3.440 20 0 DGADMP CCCn1ncc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001138640105 1091270901 /nfs/dbraw/zinc/27/09/01/1091270901.db2.gz HBGXZIWIKHEFJM-OALUTQOASA-N 2 1 318.509 3.440 20 0 DGADMP CCCn1ncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001138640105 1091270908 /nfs/dbraw/zinc/27/09/08/1091270908.db2.gz HBGXZIWIKHEFJM-OALUTQOASA-N 2 1 318.509 3.440 20 0 DGADMP CCCn1ncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1C ZINC001138640105 1091270914 /nfs/dbraw/zinc/27/09/14/1091270914.db2.gz HBGXZIWIKHEFJM-OALUTQOASA-N 2 1 318.509 3.440 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001205591669 1091271050 /nfs/dbraw/zinc/27/10/50/1091271050.db2.gz NVQXRIBRPVOQNL-GOSISDBHSA-N 2 1 323.431 3.079 20 0 DGADMP CC[C@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615703 1091279180 /nfs/dbraw/zinc/27/91/80/1091279180.db2.gz VRHVEBISTRBWOP-IJXRJRJASA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@H](C)[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615703 1091279191 /nfs/dbraw/zinc/27/91/91/1091279191.db2.gz VRHVEBISTRBWOP-IJXRJRJASA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@H](C)[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615703 1091279201 /nfs/dbraw/zinc/27/92/01/1091279201.db2.gz VRHVEBISTRBWOP-IJXRJRJASA-N 2 1 316.489 3.111 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(C)C ZINC001205617200 1091280840 /nfs/dbraw/zinc/28/08/40/1091280840.db2.gz IGNBGNPYGXJCSY-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)CC[C@H]1C[NH3+] ZINC001205617662 1091281106 /nfs/dbraw/zinc/28/11/06/1091281106.db2.gz MBSQSCCWGIIOEX-CVEARBPZSA-N 2 1 315.436 3.423 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC[C@@H]1C[NH3+] ZINC001205617704 1091281481 /nfs/dbraw/zinc/28/14/81/1091281481.db2.gz MOCQUYCNECTLOM-HZPDHXFCSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)CC[C@@H]1C[NH3+] ZINC001205617665 1091281639 /nfs/dbraw/zinc/28/16/39/1091281639.db2.gz MBSQSCCWGIIOEX-JKSUJKDBSA-N 2 1 315.436 3.423 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)cc1Cl ZINC001205616860 1091281683 /nfs/dbraw/zinc/28/16/83/1091281683.db2.gz HHGCGVYFGSGJFG-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205617642 1091281845 /nfs/dbraw/zinc/28/18/45/1091281845.db2.gz LYEFDUBTROHRDP-GDBMZVCRSA-N 2 1 313.445 3.050 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(C)C ZINC001205617202 1091282004 /nfs/dbraw/zinc/28/20/04/1091282004.db2.gz IGNBGNPYGXJCSY-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205618443 1091284431 /nfs/dbraw/zinc/28/44/31/1091284431.db2.gz WBNJEFOKFREYPC-NWDGAFQWSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205618338 1091284789 /nfs/dbraw/zinc/28/47/89/1091284789.db2.gz UWMIXYXOXQIDNQ-DZGCQCFKSA-N 2 1 312.404 3.137 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205636568 1091290920 /nfs/dbraw/zinc/29/09/20/1091290920.db2.gz DNHFFFPOEGQKNL-HZPDHXFCSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205639044 1091292750 /nfs/dbraw/zinc/29/27/50/1091292750.db2.gz VFAHFMGPAZXQAY-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CC[C@@H]1C[NH3+] ZINC001205651761 1091296010 /nfs/dbraw/zinc/29/60/10/1091296010.db2.gz JQQJBURGFLCVNI-GXTWGEPZSA-N 2 1 318.852 3.090 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC[C@H]1C[NH3+] ZINC001205651342 1091296197 /nfs/dbraw/zinc/29/61/97/1091296197.db2.gz CVAYDLALICRABZ-HIFRSBDPSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC[C@@H]1C[NH3+] ZINC001205651343 1091296425 /nfs/dbraw/zinc/29/64/25/1091296425.db2.gz CVAYDLALICRABZ-UKRRQHHQSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@@H](C[N@H+]1CCCC[C@](O)(C[NH3+])C1)c1cccc2ccccc21 ZINC001205665471 1091304127 /nfs/dbraw/zinc/30/41/27/1091304127.db2.gz RNGOVEQNFMZALS-JXFKEZNVSA-N 2 1 312.457 3.119 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001205683123 1091311757 /nfs/dbraw/zinc/31/17/57/1091311757.db2.gz XYDJRWQIMCIVFO-FQEVSTJZSA-N 2 1 324.424 3.262 20 0 DGADMP Cc1c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cccc1-c1ccccc1 ZINC001205726858 1091323705 /nfs/dbraw/zinc/32/37/05/1091323705.db2.gz YPBNPMQSRAHXOJ-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ncccc4C)C[C@@H]3C2)cc1 ZINC001205779086 1091343027 /nfs/dbraw/zinc/34/30/27/1091343027.db2.gz HOMVKCFZQIBYLJ-BGYRXZFFSA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ncccc4C)C[C@@H]3C2)cc1 ZINC001205779086 1091343040 /nfs/dbraw/zinc/34/30/40/1091343040.db2.gz HOMVKCFZQIBYLJ-BGYRXZFFSA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ncccc4C)C[C@@H]3C2)cc1 ZINC001205779086 1091343049 /nfs/dbraw/zinc/34/30/49/1091343049.db2.gz HOMVKCFZQIBYLJ-BGYRXZFFSA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ncccc4C)C[C@@H]3C2)cc1 ZINC001205779086 1091343060 /nfs/dbraw/zinc/34/30/60/1091343060.db2.gz HOMVKCFZQIBYLJ-BGYRXZFFSA-N 2 1 321.468 3.262 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2-c2ccncc2)CCC1(F)F ZINC001205788674 1091348066 /nfs/dbraw/zinc/34/80/66/1091348066.db2.gz PRGVTVQYKFLWFG-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2-c2ccncc2)CCC1(F)F ZINC001205788674 1091348078 /nfs/dbraw/zinc/34/80/78/1091348078.db2.gz PRGVTVQYKFLWFG-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205901708 1091400332 /nfs/dbraw/zinc/40/03/32/1091400332.db2.gz FNDXWXZHJDOTHW-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205901708 1091400336 /nfs/dbraw/zinc/40/03/36/1091400336.db2.gz FNDXWXZHJDOTHW-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001205903438 1091401388 /nfs/dbraw/zinc/40/13/88/1091401388.db2.gz OWGVGJSUPOBXJF-PKOBYXMFSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001205903437 1091401619 /nfs/dbraw/zinc/40/16/19/1091401619.db2.gz OWGVGJSUPOBXJF-MJGOQNOKSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001205904188 1091402387 /nfs/dbraw/zinc/40/23/87/1091402387.db2.gz SRJPNPBPSPXFNK-UKRRQHHQSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001205904187 1091402456 /nfs/dbraw/zinc/40/24/56/1091402456.db2.gz SRJPNPBPSPXFNK-HIFRSBDPSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913914 1091406757 /nfs/dbraw/zinc/40/67/57/1091406757.db2.gz KNZDHSOCLHWABI-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913914 1091406762 /nfs/dbraw/zinc/40/67/62/1091406762.db2.gz KNZDHSOCLHWABI-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205913248 1091406807 /nfs/dbraw/zinc/40/68/07/1091406807.db2.gz IAAGAHMXKCLUJD-TZMCWYRMSA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205913248 1091406810 /nfs/dbraw/zinc/40/68/10/1091406810.db2.gz IAAGAHMXKCLUJD-TZMCWYRMSA-N 2 1 324.852 3.076 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001205913461 1091407120 /nfs/dbraw/zinc/40/71/20/1091407120.db2.gz IJKOIPBUQWSLMW-WBVHZDCISA-N 2 1 311.429 3.433 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914483 1091408851 /nfs/dbraw/zinc/40/88/51/1091408851.db2.gz MJWVMJLMRMKKMI-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914483 1091408858 /nfs/dbraw/zinc/40/88/58/1091408858.db2.gz MJWVMJLMRMKKMI-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205915870 1091409643 /nfs/dbraw/zinc/40/96/43/1091409643.db2.gz RELLHMVNTFHINQ-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205915870 1091409645 /nfs/dbraw/zinc/40/96/45/1091409645.db2.gz RELLHMVNTFHINQ-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205917303 1091411422 /nfs/dbraw/zinc/41/14/22/1091411422.db2.gz YHXRXOKOKAYLJR-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205917303 1091411426 /nfs/dbraw/zinc/41/14/26/1091411426.db2.gz YHXRXOKOKAYLJR-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924397 1091415534 /nfs/dbraw/zinc/41/55/34/1091415534.db2.gz SGKCWHIBBMQTSO-GOEBONIOSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924397 1091415547 /nfs/dbraw/zinc/41/55/47/1091415547.db2.gz SGKCWHIBBMQTSO-GOEBONIOSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001205925166 1091415609 /nfs/dbraw/zinc/41/56/09/1091415609.db2.gz WBGOBDUMLIXLJE-RHSMWYFYSA-N 2 1 313.420 3.447 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139039839 1091426045 /nfs/dbraw/zinc/42/60/45/1091426045.db2.gz BNZQQSOYUUXMNF-ZWKOTPCHSA-N 2 1 304.482 3.132 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139039839 1091426047 /nfs/dbraw/zinc/42/60/47/1091426047.db2.gz BNZQQSOYUUXMNF-ZWKOTPCHSA-N 2 1 304.482 3.132 20 0 DGADMP CCCn1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001139039839 1091426052 /nfs/dbraw/zinc/42/60/52/1091426052.db2.gz BNZQQSOYUUXMNF-ZWKOTPCHSA-N 2 1 304.482 3.132 20 0 DGADMP CCCn1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001139039839 1091426057 /nfs/dbraw/zinc/42/60/57/1091426057.db2.gz BNZQQSOYUUXMNF-ZWKOTPCHSA-N 2 1 304.482 3.132 20 0 DGADMP C[C@@]1(F)CCCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001139056184 1091431923 /nfs/dbraw/zinc/43/19/23/1091431923.db2.gz YQQYEDBPUYPWDS-LJQANCHMSA-N 2 1 320.452 3.233 20 0 DGADMP C[C@@H]1C[N@@H+](CC2(c3ccccc3)CCOCC2)CCC[C@H]1C[NH3+] ZINC001205984254 1091435372 /nfs/dbraw/zinc/43/53/72/1091435372.db2.gz RRENOMUUXWYMIF-MSOLQXFVSA-N 2 1 316.489 3.042 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCN(c3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205985300 1091435975 /nfs/dbraw/zinc/43/59/75/1091435975.db2.gz WXBCAKZOIJTHOX-IEBWSBKVSA-N 2 1 315.505 3.210 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CCC[C@@H]1C[NH3+] ZINC001205992143 1091439186 /nfs/dbraw/zinc/43/91/86/1091439186.db2.gz DVZPJQBIRYWJCY-UKRRQHHQSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CCC[C@H]1C[NH3+] ZINC001205992147 1091439603 /nfs/dbraw/zinc/43/96/03/1091439603.db2.gz DVZPJQBIRYWJCY-ZFWWWQNUSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205997084 1091440994 /nfs/dbraw/zinc/44/09/94/1091440994.db2.gz ZRCVWIIUTLPARB-OLZOCXBDSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)o2)CCC[C@H]1C[NH3+] ZINC001205995823 1091441625 /nfs/dbraw/zinc/44/16/25/1091441625.db2.gz QXAKRRHRDLMFLG-CVEARBPZSA-N 2 1 305.466 3.077 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1CC ZINC001206002750 1091443367 /nfs/dbraw/zinc/44/33/67/1091443367.db2.gz AIZGPHVIQWJWNY-MAUKXSAKSA-N 2 1 304.478 3.455 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c2c1 ZINC001206004689 1091445535 /nfs/dbraw/zinc/44/55/35/1091445535.db2.gz UMJYLWSSGGYXMP-CABCVRRESA-N 2 1 315.461 3.373 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CCC[C@@H]1C[NH3+] ZINC001206024356 1091454831 /nfs/dbraw/zinc/45/48/31/1091454831.db2.gz ISRFWNZJZBODHD-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CCC[C@H]1C[NH3+] ZINC001206022196 1091455560 /nfs/dbraw/zinc/45/55/60/1091455560.db2.gz BLTKFOBBTLRPSO-KBPBESRZSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CCC[C@H]1C[NH3+] ZINC001206026511 1091456869 /nfs/dbraw/zinc/45/68/69/1091456869.db2.gz SOSWZCXJLFNVQF-JSGCOSHPSA-N 2 1 318.852 3.090 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2F)CCC[C@H]1C[NH3+] ZINC001206026428 1091457281 /nfs/dbraw/zinc/45/72/81/1091457281.db2.gz RXPBOQPPCNKXAC-RYUDHWBXSA-N 2 1 316.367 3.234 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)ccnc12 ZINC001206027247 1091457914 /nfs/dbraw/zinc/45/79/14/1091457914.db2.gz VHYKJLRGHFSJLV-HUUCEWRRSA-N 2 1 313.445 3.050 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)ccnc12 ZINC001206027246 1091457919 /nfs/dbraw/zinc/45/79/19/1091457919.db2.gz VHYKJLRGHFSJLV-GJZGRUSLSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccsc2Br)CCC[C@H]1C[NH3+] ZINC001206028910 1091459467 /nfs/dbraw/zinc/45/94/67/1091459467.db2.gz ZRODGZCTBPZKST-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206035747 1091463357 /nfs/dbraw/zinc/46/33/57/1091463357.db2.gz DLMWGNJXODZXCT-CHWSQXEVSA-N 2 1 320.868 3.034 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2nonc12 ZINC001139221560 1091494174 /nfs/dbraw/zinc/49/41/74/1091494174.db2.gz LZFYNGTUVADRPB-INIZCTEOSA-N 2 1 314.433 3.063 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2nonc12 ZINC001139221560 1091494180 /nfs/dbraw/zinc/49/41/80/1091494180.db2.gz LZFYNGTUVADRPB-INIZCTEOSA-N 2 1 314.433 3.063 20 0 DGADMP COc1ccc2ccccc2c1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206157152 1091512016 /nfs/dbraw/zinc/51/20/16/1091512016.db2.gz WQSVKERIDHTUOK-SJORKVTESA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206157152 1091512022 /nfs/dbraw/zinc/51/20/22/1091512022.db2.gz WQSVKERIDHTUOK-SJORKVTESA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206157152 1091512028 /nfs/dbraw/zinc/51/20/28/1091512028.db2.gz WQSVKERIDHTUOK-SJORKVTESA-N 2 1 302.393 3.110 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206172607 1091520911 /nfs/dbraw/zinc/52/09/11/1091520911.db2.gz AXMDDRXIRWVJEI-UONOGXRCSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206172607 1091520916 /nfs/dbraw/zinc/52/09/16/1091520916.db2.gz AXMDDRXIRWVJEI-UONOGXRCSA-N 2 1 304.331 3.275 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2nccs2)CC[C@H]1F ZINC001206173500 1091520965 /nfs/dbraw/zinc/52/09/65/1091520965.db2.gz HRGCRCWLLOOHOR-HUUCEWRRSA-N 2 1 305.422 3.071 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@@H]2C1 ZINC001139340439 1091524396 /nfs/dbraw/zinc/52/43/96/1091524396.db2.gz OHRHINNKKUPXKT-KDURUIRLSA-N 2 1 310.441 3.319 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cc(O)ccc4c3)C[C@@H]2C1 ZINC001139340439 1091524405 /nfs/dbraw/zinc/52/44/05/1091524405.db2.gz OHRHINNKKUPXKT-KDURUIRLSA-N 2 1 310.441 3.319 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cc(O)ccc4c3)C[C@@H]2C1 ZINC001139340439 1091524419 /nfs/dbraw/zinc/52/44/19/1091524419.db2.gz OHRHINNKKUPXKT-KDURUIRLSA-N 2 1 310.441 3.319 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@@H]1F ZINC001206199677 1091532165 /nfs/dbraw/zinc/53/21/65/1091532165.db2.gz OWXSSUQIMJDWNQ-LSDHHAIUSA-N 2 1 323.799 3.256 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@@H]1F ZINC001206199677 1091532180 /nfs/dbraw/zinc/53/21/80/1091532180.db2.gz OWXSSUQIMJDWNQ-LSDHHAIUSA-N 2 1 323.799 3.256 20 0 DGADMP FC1(F)CC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC001139356200 1091532324 /nfs/dbraw/zinc/53/23/24/1091532324.db2.gz IHAPEHFVHSTOHO-ZBFHGGJFSA-N 2 1 303.356 3.349 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@H]1F ZINC001206199674 1091533293 /nfs/dbraw/zinc/53/32/93/1091533293.db2.gz OWXSSUQIMJDWNQ-CABCVRRESA-N 2 1 323.799 3.256 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@H]1F ZINC001206199674 1091533298 /nfs/dbraw/zinc/53/32/98/1091533298.db2.gz OWXSSUQIMJDWNQ-CABCVRRESA-N 2 1 323.799 3.256 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001206258073 1091552460 /nfs/dbraw/zinc/55/24/60/1091552460.db2.gz QBYVPUJDTOIEJD-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001206258073 1091552466 /nfs/dbraw/zinc/55/24/66/1091552466.db2.gz QBYVPUJDTOIEJD-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3c(Cl)ccnc3Cl)C2)CC1 ZINC001139480179 1091571979 /nfs/dbraw/zinc/57/19/79/1091571979.db2.gz WGVFWIAGHVGWHK-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304929 1091571921 /nfs/dbraw/zinc/57/19/21/1091571921.db2.gz RSBCKVZHFJLQAP-LJQANCHMSA-N 2 1 313.445 3.194 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(Cl)ccnc3Cl)C2)CC1 ZINC001139480179 1091571984 /nfs/dbraw/zinc/57/19/84/1091571984.db2.gz WGVFWIAGHVGWHK-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001206305378 1091572146 /nfs/dbraw/zinc/57/21/46/1091572146.db2.gz YBRXRMSGSQBCOR-SFHVURJKSA-N 2 1 316.424 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001206311337 1091573255 /nfs/dbraw/zinc/57/32/55/1091573255.db2.gz MTTXBTRCCKFHMD-CQSZACIVSA-N 2 1 302.249 3.339 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001206311198 1091573624 /nfs/dbraw/zinc/57/36/24/1091573624.db2.gz LAPLGZZIOOYZTG-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001206318999 1091577372 /nfs/dbraw/zinc/57/73/72/1091577372.db2.gz XEBGBIPEJAGECI-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP CCOc1ncc(Cl)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318485 1091577403 /nfs/dbraw/zinc/57/74/03/1091577403.db2.gz QBROKKAPYIYASG-MRXNPFEDSA-N 2 1 311.857 3.085 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206324374 1091579361 /nfs/dbraw/zinc/57/93/61/1091579361.db2.gz AJGFRQHIFHNALJ-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP COC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206327794 1091581202 /nfs/dbraw/zinc/58/12/02/1091581202.db2.gz XYIXCEGXWWEGND-QGZVFWFLSA-N 2 1 324.852 3.078 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1SC ZINC001206335974 1091585570 /nfs/dbraw/zinc/58/55/70/1091585570.db2.gz IQHJMSGLUSCHBO-KRWDZBQOSA-N 2 1 308.491 3.368 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1SC ZINC001206335975 1091585617 /nfs/dbraw/zinc/58/56/17/1091585617.db2.gz IQHJMSGLUSCHBO-QGZVFWFLSA-N 2 1 308.491 3.368 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206351372 1091590650 /nfs/dbraw/zinc/59/06/50/1091590650.db2.gz BYSPHWBTKNDGSI-SFHVURJKSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206351372 1091590655 /nfs/dbraw/zinc/59/06/55/1091590655.db2.gz BYSPHWBTKNDGSI-SFHVURJKSA-N 2 1 302.393 3.198 20 0 DGADMP C[C@@]1(F)CCCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001206406281 1091618745 /nfs/dbraw/zinc/61/87/45/1091618745.db2.gz WHTOAZDYOORIBU-LJQANCHMSA-N 2 1 315.436 3.459 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC001206548099 1091665097 /nfs/dbraw/zinc/66/50/97/1091665097.db2.gz GIHKTEFOQOKANQ-GOSISDBHSA-N 2 1 316.424 3.167 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c2ccccc21 ZINC001206547720 1091665756 /nfs/dbraw/zinc/66/57/56/1091665756.db2.gz FOLHPVMUKHCCOR-IBGZPJMESA-N 2 1 313.445 3.252 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c2ccccc21 ZINC001206564518 1091671822 /nfs/dbraw/zinc/67/18/22/1091671822.db2.gz PWSKXGMLLAUREX-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206581062 1091676442 /nfs/dbraw/zinc/67/64/42/1091676442.db2.gz HUJQUSHUDLIROB-CYBMUJFWSA-N 2 1 300.368 3.456 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc2)n1 ZINC001206582255 1091678124 /nfs/dbraw/zinc/67/81/24/1091678124.db2.gz NAZCGVRHUPJSOX-LJQANCHMSA-N 2 1 312.461 3.038 20 0 DGADMP [NH3+]C[C@@H]1CCCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206607371 1091686895 /nfs/dbraw/zinc/68/68/95/1091686895.db2.gz ZQJPNVFRHCPMBI-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607371 1091686899 /nfs/dbraw/zinc/68/68/99/1091686899.db2.gz ZQJPNVFRHCPMBI-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607371 1091686903 /nfs/dbraw/zinc/68/69/03/1091686903.db2.gz ZQJPNVFRHCPMBI-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP CSc1ncc(C)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606610 1091687724 /nfs/dbraw/zinc/68/77/24/1091687724.db2.gz RHSJEEQFQFJIRE-MRXNPFEDSA-N 2 1 307.507 3.464 20 0 DGADMP CSc1ncc(C)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606610 1091687728 /nfs/dbraw/zinc/68/77/28/1091687728.db2.gz RHSJEEQFQFJIRE-MRXNPFEDSA-N 2 1 307.507 3.464 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001206606818 1091687980 /nfs/dbraw/zinc/68/79/80/1091687980.db2.gz TUSNJRJIUCFMAU-AWEZNQCLSA-N 2 1 311.267 3.052 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206760665 1091726718 /nfs/dbraw/zinc/72/67/18/1091726718.db2.gz KAAJUYURHCLKNF-DLBZAZTESA-N 2 1 312.498 3.339 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768276 1091731648 /nfs/dbraw/zinc/73/16/48/1091731648.db2.gz IHJDECFMDCMKRS-JKSUJKDBSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768276 1091731653 /nfs/dbraw/zinc/73/16/53/1091731653.db2.gz IHJDECFMDCMKRS-JKSUJKDBSA-N 2 1 317.477 3.352 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001206768694 1091731680 /nfs/dbraw/zinc/73/16/80/1091731680.db2.gz LMAGUPYDCXOHER-GOEBONIOSA-N 2 1 306.450 3.042 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206768120 1091732369 /nfs/dbraw/zinc/73/23/69/1091732369.db2.gz HISVJTRGEGETQD-STQMWFEESA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206768120 1091732377 /nfs/dbraw/zinc/73/23/77/1091732377.db2.gz HISVJTRGEGETQD-STQMWFEESA-N 2 1 324.852 3.076 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770960 1091733072 /nfs/dbraw/zinc/73/30/72/1091733072.db2.gz VHMVEFBBZGKHQS-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770960 1091733079 /nfs/dbraw/zinc/73/30/79/1091733079.db2.gz VHMVEFBBZGKHQS-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001140028126 1091744817 /nfs/dbraw/zinc/74/48/17/1091744817.db2.gz LXGLQNHELKCSKN-IBGZPJMESA-N 2 1 324.472 3.241 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC001206801721 1091746353 /nfs/dbraw/zinc/74/63/53/1091746353.db2.gz YZQHXNRKAADRGP-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP COc1ccc2sc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206808145 1091748747 /nfs/dbraw/zinc/74/87/47/1091748747.db2.gz JVNXPEGWKSNEMY-STQMWFEESA-N 2 1 304.459 3.469 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206809936 1091749183 /nfs/dbraw/zinc/74/91/83/1091749183.db2.gz MLXHTYUGLINMKK-WCQYABFASA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206809936 1091749187 /nfs/dbraw/zinc/74/91/87/1091749187.db2.gz MLXHTYUGLINMKK-WCQYABFASA-N 2 1 311.267 3.317 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206835854 1091760317 /nfs/dbraw/zinc/76/03/17/1091760317.db2.gz CYIGGKWMHUGDJI-UHFFFAOYSA-N 2 1 314.364 3.199 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21)CC(C)(C)C ZINC001276504433 1091830626 /nfs/dbraw/zinc/83/06/26/1091830626.db2.gz SUNXIHGXZCYAAD-OKZBNKHCSA-N 2 1 309.542 3.017 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2cncnc2)cc1 ZINC001140353308 1091839136 /nfs/dbraw/zinc/83/91/36/1091839136.db2.gz BMHCCIXTFVYNCZ-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]2C1 ZINC001140379872 1091844600 /nfs/dbraw/zinc/84/46/00/1091844600.db2.gz WYYQONVNUJRPOU-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]2C1 ZINC001140379872 1091844606 /nfs/dbraw/zinc/84/46/06/1091844606.db2.gz WYYQONVNUJRPOU-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]2C1 ZINC001140379872 1091844607 /nfs/dbraw/zinc/84/46/07/1091844607.db2.gz WYYQONVNUJRPOU-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]2C1 ZINC001140382810 1091846854 /nfs/dbraw/zinc/84/68/54/1091846854.db2.gz QOLXHMBVNCBHAI-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]2C1 ZINC001140382810 1091846863 /nfs/dbraw/zinc/84/68/63/1091846863.db2.gz QOLXHMBVNCBHAI-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]2C1 ZINC001140382810 1091846869 /nfs/dbraw/zinc/84/68/69/1091846869.db2.gz QOLXHMBVNCBHAI-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)cn1 ZINC001276512015 1091863585 /nfs/dbraw/zinc/86/35/85/1091863585.db2.gz MLMKCXVYHMBDCN-YQQQUEKLSA-N 2 1 316.493 3.048 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001276513287 1091875894 /nfs/dbraw/zinc/87/58/94/1091875894.db2.gz MCAVOQVTXUDLIP-MQVJKMGUSA-N 2 1 305.491 3.337 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001276513287 1091875899 /nfs/dbraw/zinc/87/58/99/1091875899.db2.gz MCAVOQVTXUDLIP-MQVJKMGUSA-N 2 1 305.491 3.337 20 0 DGADMP c1cncc(CN2C[C@@H]3C[N@@H+](CCC4CCCCC4)C[C@@H]3C2)c1 ZINC001207255928 1091900807 /nfs/dbraw/zinc/90/08/07/1091900807.db2.gz CAJHLHTUBHXAOS-BGYRXZFFSA-N 2 1 313.489 3.416 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001207283452 1091911033 /nfs/dbraw/zinc/91/10/33/1091911033.db2.gz YOWPDNNWSBMOOC-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC001207290800 1091914046 /nfs/dbraw/zinc/91/40/46/1091914046.db2.gz GTBUWUCOJXRZLU-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP CC1(C)COCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291335 1091914150 /nfs/dbraw/zinc/91/41/50/1091914150.db2.gz NVWGHJFFRCOUBH-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207290808 1091914193 /nfs/dbraw/zinc/91/41/93/1091914193.db2.gz CHDYGDNLQKPODV-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291810 1091914782 /nfs/dbraw/zinc/91/47/82/1091914782.db2.gz ZAZAWVQVNDXDMM-GBESFXJTSA-N 2 1 302.437 3.331 20 0 DGADMP C[N@H+](CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001207378289 1091946909 /nfs/dbraw/zinc/94/69/09/1091946909.db2.gz QPKBBHSKAYJMNU-UHFFFAOYSA-N 2 1 311.267 3.018 20 0 DGADMP C[N@@H+](CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001207378289 1091946913 /nfs/dbraw/zinc/94/69/13/1091946913.db2.gz QPKBBHSKAYJMNU-UHFFFAOYSA-N 2 1 311.267 3.018 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccc(Br)cc3)C2)C1 ZINC001207385648 1091950520 /nfs/dbraw/zinc/95/05/20/1091950520.db2.gz IMHGVTPBEBLTBV-MRXNPFEDSA-N 2 1 323.278 3.019 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207385648 1091950530 /nfs/dbraw/zinc/95/05/30/1091950530.db2.gz IMHGVTPBEBLTBV-MRXNPFEDSA-N 2 1 323.278 3.019 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207385648 1091950537 /nfs/dbraw/zinc/95/05/37/1091950537.db2.gz IMHGVTPBEBLTBV-MRXNPFEDSA-N 2 1 323.278 3.019 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)c1 ZINC001207402160 1091955877 /nfs/dbraw/zinc/95/58/77/1091955877.db2.gz YCILOBWVSFBSMS-GOSISDBHSA-N 2 1 302.462 3.216 20 0 DGADMP Cc1cc(N2CC[NH+](CCc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC001207426176 1091963500 /nfs/dbraw/zinc/96/35/00/1091963500.db2.gz XHIYBGHDLCTPAK-UHFFFAOYSA-N 2 1 315.848 3.408 20 0 DGADMP CC[C@](C)(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001207458821 1091974934 /nfs/dbraw/zinc/97/49/34/1091974934.db2.gz BOGUOJAUDZHXHJ-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@](C)(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001207458821 1091974939 /nfs/dbraw/zinc/97/49/39/1091974939.db2.gz BOGUOJAUDZHXHJ-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@](C)(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001207458821 1091974945 /nfs/dbraw/zinc/97/49/45/1091974945.db2.gz BOGUOJAUDZHXHJ-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207470895 1091978959 /nfs/dbraw/zinc/97/89/59/1091978959.db2.gz WPNUYIUIIBODBP-KRWDZBQOSA-N 2 1 320.452 3.149 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207470895 1091978967 /nfs/dbraw/zinc/97/89/67/1091978967.db2.gz WPNUYIUIIBODBP-KRWDZBQOSA-N 2 1 320.452 3.149 20 0 DGADMP CC(C)OCC[NH+](CCOC(C)C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803727 1092011103 /nfs/dbraw/zinc/01/11/03/1092011103.db2.gz UGMRDFUNLBQULM-UHFFFAOYSA-N 2 1 319.449 3.215 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207539132 1092015829 /nfs/dbraw/zinc/01/58/29/1092015829.db2.gz XOTLTYLLDRLWBD-HXUWFJFHSA-N 2 1 316.489 3.113 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207539132 1092015840 /nfs/dbraw/zinc/01/58/40/1092015840.db2.gz XOTLTYLLDRLWBD-HXUWFJFHSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]n1 ZINC001203077023 1092057594 /nfs/dbraw/zinc/05/75/94/1092057594.db2.gz OEQBYXTXTPTCTB-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CC2CCSCC2)C3)c1 ZINC001207728255 1092082692 /nfs/dbraw/zinc/08/26/92/1092082692.db2.gz KVWVWPGXPZTIML-CALCHBBNSA-N 2 1 320.502 3.177 20 0 DGADMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CC2CCSCC2)C3)c1 ZINC001207728255 1092082708 /nfs/dbraw/zinc/08/27/08/1092082708.db2.gz KVWVWPGXPZTIML-CALCHBBNSA-N 2 1 320.502 3.177 20 0 DGADMP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CC4CCSCC4)C3)C2)c1 ZINC001207728255 1092082716 /nfs/dbraw/zinc/08/27/16/1092082716.db2.gz KVWVWPGXPZTIML-CALCHBBNSA-N 2 1 320.502 3.177 20 0 DGADMP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CC4CCSCC4)C3)C2)c1 ZINC001207728255 1092082724 /nfs/dbraw/zinc/08/27/24/1092082724.db2.gz KVWVWPGXPZTIML-CALCHBBNSA-N 2 1 320.502 3.177 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001140971559 1092088272 /nfs/dbraw/zinc/08/82/72/1092088272.db2.gz WPYJTYJQKZUZHD-NRFANRHFSA-N 2 1 321.468 3.385 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]n1 ZINC001203083358 1092088685 /nfs/dbraw/zinc/08/86/85/1092088685.db2.gz JQXXKWYNZIOFRP-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]n1 ZINC001203083358 1092088693 /nfs/dbraw/zinc/08/86/93/1092088693.db2.gz JQXXKWYNZIOFRP-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]n1 ZINC001203083358 1092088701 /nfs/dbraw/zinc/08/87/01/1092088701.db2.gz JQXXKWYNZIOFRP-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083358 1092088709 /nfs/dbraw/zinc/08/87/09/1092088709.db2.gz JQXXKWYNZIOFRP-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083358 1092088716 /nfs/dbraw/zinc/08/87/16/1092088716.db2.gz JQXXKWYNZIOFRP-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083358 1092088725 /nfs/dbraw/zinc/08/87/25/1092088725.db2.gz JQXXKWYNZIOFRP-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n[nH]1 ZINC001203083358 1092088734 /nfs/dbraw/zinc/08/87/34/1092088734.db2.gz JQXXKWYNZIOFRP-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1Br ZINC001141092718 1092135138 /nfs/dbraw/zinc/13/51/38/1092135138.db2.gz CCRBDKKNXCVYHU-MRXNPFEDSA-N 2 1 323.278 3.285 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@H]2CCCO2)C3)cc1 ZINC001207894631 1092131474 /nfs/dbraw/zinc/13/14/74/1092131474.db2.gz RYGGDURSKVYCER-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCO2)C3)cc1 ZINC001207894631 1092131480 /nfs/dbraw/zinc/13/14/80/1092131480.db2.gz RYGGDURSKVYCER-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCO2)C3)cc1 ZINC001207894631 1092131485 /nfs/dbraw/zinc/13/14/85/1092131485.db2.gz RYGGDURSKVYCER-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CCOCC1 ZINC001208076933 1092188133 /nfs/dbraw/zinc/18/81/33/1092188133.db2.gz MTPPVBWTIDYHQC-IBGZPJMESA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CCOCC1 ZINC001208076933 1092188140 /nfs/dbraw/zinc/18/81/40/1092188140.db2.gz MTPPVBWTIDYHQC-IBGZPJMESA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CCOCC1 ZINC001208076933 1092188149 /nfs/dbraw/zinc/18/81/49/1092188149.db2.gz MTPPVBWTIDYHQC-IBGZPJMESA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001208106779 1092196827 /nfs/dbraw/zinc/19/68/27/1092196827.db2.gz KOXIVNHWXLPMIY-KRWDZBQOSA-N 2 1 306.425 3.011 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)c1 ZINC001208112657 1092199783 /nfs/dbraw/zinc/19/97/83/1092199783.db2.gz WPPRBQSTPYXZTL-QGZVFWFLSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208113778 1092202036 /nfs/dbraw/zinc/20/20/36/1092202036.db2.gz OPTJTAUNFWXPBD-GOSISDBHSA-N 2 1 315.505 3.097 20 0 DGADMP CC/C=C\CCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001208135891 1092211352 /nfs/dbraw/zinc/21/13/52/1092211352.db2.gz MIJZQWCXCKHCHE-UNQUKWGNSA-N 2 1 320.521 3.413 20 0 DGADMP CC/C=C\CCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001208135891 1092211362 /nfs/dbraw/zinc/21/13/62/1092211362.db2.gz MIJZQWCXCKHCHE-UNQUKWGNSA-N 2 1 320.521 3.413 20 0 DGADMP CC/C=C\CCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001208135891 1092211373 /nfs/dbraw/zinc/21/13/73/1092211373.db2.gz MIJZQWCXCKHCHE-UNQUKWGNSA-N 2 1 320.521 3.413 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@@H]1C ZINC001208187864 1092248166 /nfs/dbraw/zinc/24/81/66/1092248166.db2.gz BOBBJRWIEHDSHY-IRXDYDNUSA-N 2 1 324.509 3.020 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H](c3ccccn3)C2)CCCC1 ZINC001208193071 1092254014 /nfs/dbraw/zinc/25/40/14/1092254014.db2.gz ZPPSAYRNCJYOSP-QGZVFWFLSA-N 2 1 301.478 3.383 20 0 DGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208215704 1092270335 /nfs/dbraw/zinc/27/03/35/1092270335.db2.gz DEXUVAUDRIHWQH-ZHALLVOQSA-N 2 1 310.526 3.491 20 0 DGADMP Fc1ccc2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC001141637299 1092303009 /nfs/dbraw/zinc/30/30/09/1092303009.db2.gz XGBDRILWVWAPDB-UHFFFAOYSA-N 2 1 322.387 3.091 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208361795 1092329614 /nfs/dbraw/zinc/32/96/14/1092329614.db2.gz ICSOWVAJDGNXTN-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(Cc3c(Cl)cc(O)cc3Cl)C[C@@H]2C1 ZINC001142109276 1092411512 /nfs/dbraw/zinc/41/15/12/1092411512.db2.gz KRCHLQFWSKSRSC-MNOVXSKESA-N 2 1 315.244 3.083 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2nc3ccccc3s2)CC1 ZINC001208593662 1092416438 /nfs/dbraw/zinc/41/64/38/1092416438.db2.gz YTRPAOIAYBMPOC-UHFFFAOYSA-N 2 1 303.475 3.460 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)CC1 ZINC001208599802 1092420179 /nfs/dbraw/zinc/42/01/79/1092420179.db2.gz BZNBZADRYONXDY-INIZCTEOSA-N 2 1 320.481 3.104 20 0 DGADMP COc1ccc(C2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208606930 1092424286 /nfs/dbraw/zinc/42/42/86/1092424286.db2.gz IXSRZPJNMNVLJZ-MRXNPFEDSA-N 2 1 302.462 3.216 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC001208609021 1092425568 /nfs/dbraw/zinc/42/55/68/1092425568.db2.gz SORRSSIDZMDEGS-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001208615070 1092428228 /nfs/dbraw/zinc/42/82/28/1092428228.db2.gz HHLDFUHWFSRIQI-ZWKOTPCHSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001208615070 1092428239 /nfs/dbraw/zinc/42/82/39/1092428239.db2.gz HHLDFUHWFSRIQI-ZWKOTPCHSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001208615070 1092428245 /nfs/dbraw/zinc/42/82/45/1092428245.db2.gz HHLDFUHWFSRIQI-ZWKOTPCHSA-N 2 1 304.453 3.422 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208617392 1092430999 /nfs/dbraw/zinc/43/09/99/1092430999.db2.gz OVZHIPYMSZNNTA-RTBURBONSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208617392 1092431008 /nfs/dbraw/zinc/43/10/08/1092431008.db2.gz OVZHIPYMSZNNTA-RTBURBONSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC001208617392 1092431013 /nfs/dbraw/zinc/43/10/13/1092431013.db2.gz OVZHIPYMSZNNTA-RTBURBONSA-N 2 1 316.489 3.292 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001208680570 1092452947 /nfs/dbraw/zinc/45/29/47/1092452947.db2.gz FJJDYGYAIZQFFO-QGZVFWFLSA-N 2 1 318.461 3.135 20 0 DGADMP COc1ccnc(Cl)c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276576525 1092471174 /nfs/dbraw/zinc/47/11/74/1092471174.db2.gz GYIDLVMZGCSSID-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1ccnc(Cl)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276576525 1092471183 /nfs/dbraw/zinc/47/11/83/1092471183.db2.gz GYIDLVMZGCSSID-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208785718 1092508209 /nfs/dbraw/zinc/50/82/09/1092508209.db2.gz IATSLVUWENNIIO-OKZBNKHCSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208785718 1092508225 /nfs/dbraw/zinc/50/82/25/1092508225.db2.gz IATSLVUWENNIIO-OKZBNKHCSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208785718 1092508236 /nfs/dbraw/zinc/50/82/36/1092508236.db2.gz IATSLVUWENNIIO-OKZBNKHCSA-N 2 1 324.509 3.305 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1cccnc1OC(C)C ZINC001208801640 1092515784 /nfs/dbraw/zinc/51/57/84/1092515784.db2.gz RBVOAOKTWJLQHA-UHFFFAOYSA-N 2 1 307.482 3.075 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCOCc3ccccc3)C2)C1 ZINC001208815325 1092522201 /nfs/dbraw/zinc/52/22/01/1092522201.db2.gz RXVRYCGHEYLIHT-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCOCc3ccccc3)C2)C1 ZINC001208815325 1092522214 /nfs/dbraw/zinc/52/22/14/1092522214.db2.gz RXVRYCGHEYLIHT-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCCOCc3ccccc3)C2)C1 ZINC001208815325 1092522226 /nfs/dbraw/zinc/52/22/26/1092522226.db2.gz RXVRYCGHEYLIHT-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccccc1)c1ccncc1)C2 ZINC001169094956 1092523201 /nfs/dbraw/zinc/52/32/01/1092523201.db2.gz NZHJCNIEOOONFY-YSTOQKLRSA-N 2 1 307.441 3.386 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)C2 ZINC001169094955 1092523250 /nfs/dbraw/zinc/52/32/50/1092523250.db2.gz NZHJCNIEOOONFY-YRPNKDGESA-N 2 1 307.441 3.386 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccc(Br)c1)C2 ZINC001169096912 1092527323 /nfs/dbraw/zinc/52/73/23/1092527323.db2.gz ZSCNINJUHFBXEW-MUJYYYPQSA-N 2 1 323.278 3.206 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001169098861 1092528522 /nfs/dbraw/zinc/52/85/22/1092528522.db2.gz LTJGHUDPONWNER-JGPRNRPPSA-N 2 1 315.280 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001169098861 1092528534 /nfs/dbraw/zinc/52/85/34/1092528534.db2.gz LTJGHUDPONWNER-JGPRNRPPSA-N 2 1 315.280 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC001169100068 1092529679 /nfs/dbraw/zinc/52/96/79/1092529679.db2.gz FSWKABARQBQIHL-IYWMVGAKSA-N 2 1 314.473 3.369 20 0 DGADMP CN1CCC([N@@H+](Cc2cccc3[nH]cnc32)C2CCCC2)CC1 ZINC001142696035 1092534883 /nfs/dbraw/zinc/53/48/83/1092534883.db2.gz FZRDOQZETKGQFU-UHFFFAOYSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001169091792 1092540708 /nfs/dbraw/zinc/54/07/08/1092540708.db2.gz VAZLGILAIXNLJV-YRPNKDGESA-N 2 1 313.489 3.038 20 0 DGADMP COc1ccccc1CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118346 1092541716 /nfs/dbraw/zinc/54/17/16/1092541716.db2.gz HTTACLXYGFUNOO-NNZMDNLPSA-N 2 1 316.489 3.479 20 0 DGADMP COc1cccc(CC(C)(C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169118592 1092543025 /nfs/dbraw/zinc/54/30/25/1092543025.db2.gz KZCUPVHCWOSXBZ-OSYLJGHBSA-N 2 1 302.462 3.231 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CCOCC1)C2 ZINC001169118377 1092543410 /nfs/dbraw/zinc/54/34/10/1092543410.db2.gz ISJXCABHDLOPBD-BCDXTJNWSA-N 2 1 318.436 3.046 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cncc(Cl)c1)C1CC1)C2 ZINC001169117336 1092543539 /nfs/dbraw/zinc/54/35/39/1092543539.db2.gz YSFAMZUJNGDIOZ-WCXIOVBPSA-N 2 1 305.853 3.401 20 0 DGADMP Cc1c[nH]c2nc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)[nH+]cc12 ZINC001169139758 1092550622 /nfs/dbraw/zinc/55/06/22/1092550622.db2.gz DBXPDKRTEJZPTR-SJCJKPOMSA-N 2 1 301.438 3.174 20 0 DGADMP Cc1c[nH]c2nc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)[nH+]cc12 ZINC001169139760 1092550763 /nfs/dbraw/zinc/55/07/63/1092550763.db2.gz DBXPDKRTEJZPTR-YVEFUNNKSA-N 2 1 301.438 3.174 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC001169107633 1092550943 /nfs/dbraw/zinc/55/09/43/1092550943.db2.gz IMKPFJIJXDFKLU-QKDCVEJESA-N 2 1 323.278 3.472 20 0 DGADMP Cc1c[nH]c2nc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)[nH+]cc12 ZINC001169139757 1092551740 /nfs/dbraw/zinc/55/17/40/1092551740.db2.gz DBXPDKRTEJZPTR-PXAZEXFGSA-N 2 1 301.438 3.174 20 0 DGADMP Cc1ccc2c(c1)c1c(n2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]C1 ZINC001169139314 1092552091 /nfs/dbraw/zinc/55/20/91/1092552091.db2.gz BBSYMECBGYHCTQ-ZSHCYNCHSA-N 2 1 309.457 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001169107157 1092552221 /nfs/dbraw/zinc/55/22/21/1092552221.db2.gz FJHYMYQFLOSNBR-FJIDUMEYSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001169109102 1092553859 /nfs/dbraw/zinc/55/38/59/1092553859.db2.gz HOTOLXVYIJHGLC-ACDBMABISA-N 3 1 319.537 3.103 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001169109102 1092553864 /nfs/dbraw/zinc/55/38/64/1092553864.db2.gz HOTOLXVYIJHGLC-ACDBMABISA-N 2 1 319.537 3.103 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)C2 ZINC001169108345 1092554497 /nfs/dbraw/zinc/55/44/97/1092554497.db2.gz RPRIGZBOUPRJLB-QDMKHBRRSA-N 2 1 312.379 3.463 20 0 DGADMP COc1cccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169115635 1092555879 /nfs/dbraw/zinc/55/58/79/1092555879.db2.gz LVKONKZRVOUXDQ-OSYLJGHBSA-N 2 1 300.446 3.289 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(F)c3)CCOCC1)C2 ZINC001169115049 1092556749 /nfs/dbraw/zinc/55/67/49/1092556749.db2.gz HDJDBFSCKHULTH-NNZMDNLPSA-N 2 1 318.436 3.046 20 0 DGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169115537 1092557224 /nfs/dbraw/zinc/55/72/24/1092557224.db2.gz KPXMRICZCXJTKV-GDBXOISBSA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169115537 1092557191 /nfs/dbraw/zinc/55/71/91/1092557191.db2.gz KPXMRICZCXJTKV-GDBXOISBSA-N 2 1 307.526 3.372 20 0 DGADMP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169115537 1092557201 /nfs/dbraw/zinc/55/72/01/1092557201.db2.gz KPXMRICZCXJTKV-GDBXOISBSA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169115537 1092557208 /nfs/dbraw/zinc/55/72/08/1092557208.db2.gz KPXMRICZCXJTKV-GDBXOISBSA-N 3 1 307.526 3.372 20 0 DGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169115537 1092557217 /nfs/dbraw/zinc/55/72/17/1092557217.db2.gz KPXMRICZCXJTKV-GDBXOISBSA-N 3 1 307.526 3.372 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142882 1092558286 /nfs/dbraw/zinc/55/82/86/1092558286.db2.gz XCPXBWOPIVLVSA-FZKCQIBNSA-N 2 1 322.399 3.043 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142882 1092558295 /nfs/dbraw/zinc/55/82/95/1092558295.db2.gz XCPXBWOPIVLVSA-FZKCQIBNSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142882 1092558307 /nfs/dbraw/zinc/55/83/07/1092558307.db2.gz XCPXBWOPIVLVSA-FZKCQIBNSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142882 1092558316 /nfs/dbraw/zinc/55/83/16/1092558316.db2.gz XCPXBWOPIVLVSA-FZKCQIBNSA-N 2 1 322.399 3.043 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208881877 1092563608 /nfs/dbraw/zinc/56/36/08/1092563608.db2.gz YXEYRADCVCBXHM-HSALFYBXSA-N 2 1 312.457 3.051 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208881877 1092563617 /nfs/dbraw/zinc/56/36/17/1092563617.db2.gz YXEYRADCVCBXHM-HSALFYBXSA-N 2 1 312.457 3.051 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208881877 1092563623 /nfs/dbraw/zinc/56/36/23/1092563623.db2.gz YXEYRADCVCBXHM-HSALFYBXSA-N 2 1 312.457 3.051 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCC2 ZINC001169152671 1092566682 /nfs/dbraw/zinc/56/66/82/1092566682.db2.gz CLNBMXCMALLKPO-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC001169152671 1092566687 /nfs/dbraw/zinc/56/66/87/1092566687.db2.gz CLNBMXCMALLKPO-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169152671 1092566694 /nfs/dbraw/zinc/56/66/94/1092566694.db2.gz CLNBMXCMALLKPO-BCDXTJNWSA-N 2 1 300.446 3.069 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC001208888186 1092568285 /nfs/dbraw/zinc/56/82/85/1092568285.db2.gz OBBLEUUXTIKNSY-LLVKDONJSA-N 2 1 301.356 3.127 20 0 DGADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931199 1092592271 /nfs/dbraw/zinc/59/22/71/1092592271.db2.gz HWHBHSZWAAUDDJ-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931199 1092592274 /nfs/dbraw/zinc/59/22/74/1092592274.db2.gz HWHBHSZWAAUDDJ-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931199 1092592288 /nfs/dbraw/zinc/59/22/88/1092592288.db2.gz HWHBHSZWAAUDDJ-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208931199 1092592293 /nfs/dbraw/zinc/59/22/93/1092592293.db2.gz HWHBHSZWAAUDDJ-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4OCC[C@H]4C3)C2)cc1 ZINC001208939888 1092601116 /nfs/dbraw/zinc/60/11/16/1092601116.db2.gz KXZIUSNHDSUOCN-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4OCC[C@H]4C3)C2)cc1 ZINC001208939888 1092601121 /nfs/dbraw/zinc/60/11/21/1092601121.db2.gz KXZIUSNHDSUOCN-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@H]4OCC[C@H]4C3)C2)cc1 ZINC001208939888 1092601123 /nfs/dbraw/zinc/60/11/23/1092601123.db2.gz KXZIUSNHDSUOCN-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208940038 1092602626 /nfs/dbraw/zinc/60/26/26/1092602626.db2.gz NWNHPURUYRGAIT-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940038 1092602631 /nfs/dbraw/zinc/60/26/31/1092602631.db2.gz NWNHPURUYRGAIT-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940038 1092602637 /nfs/dbraw/zinc/60/26/37/1092602637.db2.gz NWNHPURUYRGAIT-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940714 1092603176 /nfs/dbraw/zinc/60/31/76/1092603176.db2.gz VWLFZPKAIDNAPM-UXHICEINSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@@H]1COCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940714 1092603180 /nfs/dbraw/zinc/60/31/80/1092603180.db2.gz VWLFZPKAIDNAPM-UXHICEINSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940714 1092603184 /nfs/dbraw/zinc/60/31/84/1092603184.db2.gz VWLFZPKAIDNAPM-UXHICEINSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940714 1092603188 /nfs/dbraw/zinc/60/31/88/1092603188.db2.gz VWLFZPKAIDNAPM-UXHICEINSA-N 2 1 316.489 3.255 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940205 1092603818 /nfs/dbraw/zinc/60/38/18/1092603818.db2.gz BATBLINJJOKZGF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940205 1092603824 /nfs/dbraw/zinc/60/38/24/1092603824.db2.gz BATBLINJJOKZGF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940205 1092603829 /nfs/dbraw/zinc/60/38/29/1092603829.db2.gz BATBLINJJOKZGF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948447 1092605382 /nfs/dbraw/zinc/60/53/82/1092605382.db2.gz QIZPADWVVSFKDD-DOTOQJQBSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948447 1092605387 /nfs/dbraw/zinc/60/53/87/1092605387.db2.gz QIZPADWVVSFKDD-DOTOQJQBSA-N 2 1 308.416 3.486 20 0 DGADMP c1cn2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001143028714 1092606555 /nfs/dbraw/zinc/60/65/55/1092606555.db2.gz HUVCJGZFSABPOB-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001143028714 1092606560 /nfs/dbraw/zinc/60/65/60/1092606560.db2.gz HUVCJGZFSABPOB-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950960 1092609387 /nfs/dbraw/zinc/60/93/87/1092609387.db2.gz XTNGDJFRJAMBSH-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950960 1092609390 /nfs/dbraw/zinc/60/93/90/1092609390.db2.gz XTNGDJFRJAMBSH-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950960 1092609398 /nfs/dbraw/zinc/60/93/98/1092609398.db2.gz XTNGDJFRJAMBSH-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCCN(CCC[NH+](C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956254 1092611397 /nfs/dbraw/zinc/61/13/97/1092611397.db2.gz GQUYMTMVTOOAFG-HXUWFJFHSA-N 3 1 317.521 3.172 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC001143090031 1092611918 /nfs/dbraw/zinc/61/19/18/1092611918.db2.gz FZZIGRMDUNZBEX-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001169244433 1092613870 /nfs/dbraw/zinc/61/38/70/1092613870.db2.gz OISILQRLOGMRNW-HOTGVXAUSA-N 2 1 323.278 3.379 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Oc3ccc(C)cc3)CC2)CC1 ZINC001169255237 1092619274 /nfs/dbraw/zinc/61/92/74/1092619274.db2.gz NVSRHSHWOKGGJX-UHFFFAOYSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccn3Cc3ccccc3)C[C@H]2CC1 ZINC001276608187 1092624618 /nfs/dbraw/zinc/62/46/18/1092624618.db2.gz PTEAYYFEXOUIEQ-BGYRXZFFSA-N 2 1 323.484 3.310 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccn3Cc3ccccc3)C[C@H]2CC1 ZINC001276608187 1092624621 /nfs/dbraw/zinc/62/46/21/1092624621.db2.gz PTEAYYFEXOUIEQ-BGYRXZFFSA-N 2 1 323.484 3.310 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccn3Cc3ccccc3)C[C@H]2CC1 ZINC001276608187 1092624628 /nfs/dbraw/zinc/62/46/28/1092624628.db2.gz PTEAYYFEXOUIEQ-BGYRXZFFSA-N 2 1 323.484 3.310 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3sccc3C)CC2)CC1 ZINC001204024787 1092652295 /nfs/dbraw/zinc/65/22/95/1092652295.db2.gz MXFBOXFBDBOXBG-UHFFFAOYSA-N 2 1 308.491 3.132 20 0 DGADMP c1cncc(CCC[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001209172555 1092680290 /nfs/dbraw/zinc/68/02/90/1092680290.db2.gz GGZWRLYPWPSTEZ-UHFFFAOYSA-N 2 1 313.489 3.355 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1cc(F)c(F)cc1F ZINC001209257287 1092714033 /nfs/dbraw/zinc/71/40/33/1092714033.db2.gz KOSFZOJPKGECIA-UHFFFAOYSA-N 2 1 302.384 3.310 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCCCOCc3ccccc3)C2)CC1 ZINC001209265506 1092720342 /nfs/dbraw/zinc/72/03/42/1092720342.db2.gz UABHIQRDRKBKSS-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP Cc1nccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)n1 ZINC001276629574 1092722780 /nfs/dbraw/zinc/72/27/80/1092722780.db2.gz ILMZEDMFDINFGC-RBUKOAKNSA-N 2 1 314.477 3.252 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001206632094 1092723971 /nfs/dbraw/zinc/72/39/71/1092723971.db2.gz FTVAJPOVBREGIB-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001206632094 1092723974 /nfs/dbraw/zinc/72/39/74/1092723974.db2.gz FTVAJPOVBREGIB-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(C)n1 ZINC001276637651 1092745507 /nfs/dbraw/zinc/74/55/07/1092745507.db2.gz HVSMIHAVHMLKFQ-UHFFFAOYSA-N 2 1 317.477 3.097 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209414553 1092764691 /nfs/dbraw/zinc/76/46/91/1092764691.db2.gz NMJUNXCHMMDEKU-MJGOQNOKSA-N 2 1 314.473 3.009 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC001206633101 1092766291 /nfs/dbraw/zinc/76/62/91/1092766291.db2.gz SXHSUZMDGVWESM-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC001206633101 1092766296 /nfs/dbraw/zinc/76/62/96/1092766296.db2.gz SXHSUZMDGVWESM-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccon1)CC2 ZINC001209563342 1092825474 /nfs/dbraw/zinc/82/54/74/1092825474.db2.gz XFOIPYSSYCESOY-KRWDZBQOSA-N 2 1 315.417 3.144 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccon1)CC2 ZINC001209563342 1092825477 /nfs/dbraw/zinc/82/54/77/1092825477.db2.gz XFOIPYSSYCESOY-KRWDZBQOSA-N 2 1 315.417 3.144 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209660265 1092866583 /nfs/dbraw/zinc/86/65/83/1092866583.db2.gz JLQJMNWPZYMZBN-OKILXGFUSA-N 2 1 303.837 3.205 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209660265 1092866591 /nfs/dbraw/zinc/86/65/91/1092866591.db2.gz JLQJMNWPZYMZBN-OKILXGFUSA-N 2 1 303.837 3.205 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209660265 1092866603 /nfs/dbraw/zinc/86/66/03/1092866603.db2.gz JLQJMNWPZYMZBN-OKILXGFUSA-N 2 1 303.837 3.205 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209660265 1092866611 /nfs/dbraw/zinc/86/66/11/1092866611.db2.gz JLQJMNWPZYMZBN-OKILXGFUSA-N 2 1 303.837 3.205 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(OC(C)C)c1 ZINC001206639934 1092880563 /nfs/dbraw/zinc/88/05/63/1092880563.db2.gz GWAYOTPONCCZKX-OAHLLOKOSA-N 2 1 306.450 3.043 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001206640712 1092889060 /nfs/dbraw/zinc/88/90/60/1092889060.db2.gz LOGNBAKFEZDVGA-AWEZNQCLSA-N 2 1 303.837 3.449 20 0 DGADMP Cc1cc(Br)sc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640730 1092889482 /nfs/dbraw/zinc/88/94/82/1092889482.db2.gz LYRVCLREJXDZOR-LLVKDONJSA-N 2 1 317.296 3.380 20 0 DGADMP Cc1cc(Br)sc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640730 1092889489 /nfs/dbraw/zinc/88/94/89/1092889489.db2.gz LYRVCLREJXDZOR-LLVKDONJSA-N 2 1 317.296 3.380 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(-c3cccs3)n2)C1 ZINC001206640460 1092890658 /nfs/dbraw/zinc/89/06/58/1092890658.db2.gz JVLWWPYXLILGGQ-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641289 1092898904 /nfs/dbraw/zinc/89/89/04/1092898904.db2.gz VXQLNZJAWJQINE-HNNXBMFYSA-N 2 1 317.477 3.232 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cnccn3)C[C@@H]21 ZINC001209781596 1092920927 /nfs/dbraw/zinc/92/09/27/1092920927.db2.gz RBWCMTAZMYEYLQ-UFYCRDLUSA-N 2 1 322.456 3.087 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001209846898 1092945876 /nfs/dbraw/zinc/94/58/76/1092945876.db2.gz XQFBKSCGDQLZSI-IBGZPJMESA-N 2 1 324.509 3.354 20 0 DGADMP c1c2c(sc1Nc1cc[nH+]c(N3CC[NH2+]CC3)c1)CCCC2 ZINC001210264538 1093100190 /nfs/dbraw/zinc/10/01/90/1093100190.db2.gz SMHMONWZKNXWLW-UHFFFAOYSA-N 2 1 314.458 3.175 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001210475790 1093180626 /nfs/dbraw/zinc/18/06/26/1093180626.db2.gz OSODPQOVNKYJHY-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001210475790 1093180628 /nfs/dbraw/zinc/18/06/28/1093180628.db2.gz OSODPQOVNKYJHY-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC000091472141 1093460321 /nfs/dbraw/zinc/46/03/21/1093460321.db2.gz OBEOUYKGOSDNDR-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC000091472141 1093460325 /nfs/dbraw/zinc/46/03/25/1093460325.db2.gz OBEOUYKGOSDNDR-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276740059 1094193801 /nfs/dbraw/zinc/19/38/01/1094193801.db2.gz IIAZERGUAWNQOH-FQEVSTJZSA-N 2 1 316.489 3.436 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276740059 1094193803 /nfs/dbraw/zinc/19/38/03/1094193803.db2.gz IIAZERGUAWNQOH-FQEVSTJZSA-N 2 1 316.489 3.436 20 0 DGADMP COc1cccc(CCC[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276740059 1094193805 /nfs/dbraw/zinc/19/38/05/1094193805.db2.gz IIAZERGUAWNQOH-FQEVSTJZSA-N 2 1 316.489 3.436 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753422 1094346574 /nfs/dbraw/zinc/34/65/74/1094346574.db2.gz DPOFBPYWXKGRPY-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753422 1094346579 /nfs/dbraw/zinc/34/65/79/1094346579.db2.gz DPOFBPYWXKGRPY-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753422 1094346586 /nfs/dbraw/zinc/34/65/86/1094346586.db2.gz DPOFBPYWXKGRPY-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753422 1094346593 /nfs/dbraw/zinc/34/65/93/1094346593.db2.gz DPOFBPYWXKGRPY-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C1 ZINC001120072631 1094372509 /nfs/dbraw/zinc/37/25/09/1094372509.db2.gz YKDICIIEDBCGJL-JENIJYKNSA-N 2 1 324.472 3.239 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208210 1094389160 /nfs/dbraw/zinc/38/91/60/1094389160.db2.gz VPAIMNAUVFVQTQ-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CC(C)(C)c1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH3+])o2)cc1 ZINC001217698372 1094475747 /nfs/dbraw/zinc/47/57/47/1094475747.db2.gz BKIHXKZJXDCBQP-AWEZNQCLSA-N 2 1 302.422 3.163 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217721979 1094484258 /nfs/dbraw/zinc/48/42/58/1094484258.db2.gz GFZMAXOEZBQTIV-BFHYXJOUSA-N 2 1 320.824 3.123 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217768779 1094492445 /nfs/dbraw/zinc/49/24/45/1094492445.db2.gz ADIMZMUAVDIFIF-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001217823082 1094500229 /nfs/dbraw/zinc/50/02/29/1094500229.db2.gz MNYSXUZZDDUXGU-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1CC[C@@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC001217909642 1094515742 /nfs/dbraw/zinc/51/57/42/1094515742.db2.gz GRKUJUSOVGKRNP-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@@H](OCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217909305 1094515884 /nfs/dbraw/zinc/51/58/84/1094515884.db2.gz GPFMGHSEEKDOEI-CRAIPNDOSA-N 2 1 322.880 3.321 20 0 DGADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601512 1094592360 /nfs/dbraw/zinc/59/23/60/1094592360.db2.gz VEZCOQZQVXYCMT-CVEARBPZSA-N 2 1 322.497 3.070 20 0 DGADMP CCn1cc(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC001336254009 1094605004 /nfs/dbraw/zinc/60/50/04/1094605004.db2.gz PHJJKUXYPPERLM-MRXNPFEDSA-N 2 1 314.477 3.212 20 0 DGADMP CCn1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC001336254009 1094605009 /nfs/dbraw/zinc/60/50/09/1094605009.db2.gz PHJJKUXYPPERLM-MRXNPFEDSA-N 2 1 314.477 3.212 20 0 DGADMP CCn1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC001336254009 1094605013 /nfs/dbraw/zinc/60/50/13/1094605013.db2.gz PHJJKUXYPPERLM-MRXNPFEDSA-N 2 1 314.477 3.212 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@H]4CCCOCC4)C3)C2)cc1 ZINC001170831779 1094609165 /nfs/dbraw/zinc/60/91/65/1094609165.db2.gz SLBYHHRKMHWNRO-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@H]4CCCOCC4)C3)C2)cc1 ZINC001170831779 1094609177 /nfs/dbraw/zinc/60/91/77/1094609177.db2.gz SLBYHHRKMHWNRO-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@H]4CCCOCC4)C3)C2)cc1 ZINC001170831779 1094609182 /nfs/dbraw/zinc/60/91/82/1094609182.db2.gz SLBYHHRKMHWNRO-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001336284955 1094614377 /nfs/dbraw/zinc/61/43/77/1094614377.db2.gz FIQCAOMKIACYDO-TZMCWYRMSA-N 2 1 318.852 3.147 20 0 DGADMP [NH3+]CCc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001218177368 1094645086 /nfs/dbraw/zinc/64/50/86/1094645086.db2.gz MJOWGEOEFRAVSF-HXUWFJFHSA-N 2 1 310.441 3.231 20 0 DGADMP Nc1nccc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001336636922 1094683957 /nfs/dbraw/zinc/68/39/57/1094683957.db2.gz NKYBNBLHHQOHAE-ALOPSCKCSA-N 2 1 323.444 3.056 20 0 DGADMP Nc1nc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001336636922 1094683963 /nfs/dbraw/zinc/68/39/63/1094683963.db2.gz NKYBNBLHHQOHAE-ALOPSCKCSA-N 2 1 323.444 3.056 20 0 DGADMP Nc1nc(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001336636922 1094683968 /nfs/dbraw/zinc/68/39/68/1094683968.db2.gz NKYBNBLHHQOHAE-ALOPSCKCSA-N 2 1 323.444 3.056 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135861636 1094722539 /nfs/dbraw/zinc/72/25/39/1094722539.db2.gz UXTRLOALNIYWQG-HZPDHXFCSA-N 2 1 313.530 3.027 20 0 DGADMP [NH3+]Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001218390497 1094745488 /nfs/dbraw/zinc/74/54/88/1094745488.db2.gz KOZMUWNWQRVAMR-GOSISDBHSA-N 2 1 314.404 3.328 20 0 DGADMP CC[C@]1(c2cccc(O[C@@H]3C[NH2+][C@@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001218393357 1094747045 /nfs/dbraw/zinc/74/70/45/1094747045.db2.gz UPMVZFHCAZGBGU-LZQZEXGQSA-N 2 1 302.462 3.189 20 0 DGADMP CC[C@]1(c2cccc(O[C@@H]3C[NH2+][C@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001218393355 1094747622 /nfs/dbraw/zinc/74/76/22/1094747622.db2.gz UPMVZFHCAZGBGU-IPELMVKDSA-N 2 1 302.462 3.189 20 0 DGADMP [NH3+]Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001218410633 1094760651 /nfs/dbraw/zinc/76/06/51/1094760651.db2.gz HMEIUDNZSAXXJN-QGZVFWFLSA-N 2 1 316.832 3.452 20 0 DGADMP [NH3+]Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001218410632 1094760760 /nfs/dbraw/zinc/76/07/60/1094760760.db2.gz HMEIUDNZSAXXJN-KRWDZBQOSA-N 2 1 316.832 3.452 20 0 DGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC[C@@H]1[NH3+])C1CCCCC1 ZINC001219023870 1094930419 /nfs/dbraw/zinc/93/04/19/1094930419.db2.gz LYJDWPZSZCOLCT-IRXDYDNUSA-N 2 1 315.461 3.127 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(Br)c1 ZINC000311221655 1094953393 /nfs/dbraw/zinc/95/33/93/1094953393.db2.gz OHUGTYQTVMZRLL-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(Br)c1 ZINC000311221655 1094953405 /nfs/dbraw/zinc/95/34/05/1094953405.db2.gz OHUGTYQTVMZRLL-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078020 1094995757 /nfs/dbraw/zinc/99/57/57/1094995757.db2.gz HEECVQXCCDEJDG-SCRDCRAPSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246167101 1095069651 /nfs/dbraw/zinc/06/96/51/1095069651.db2.gz CPTFYCMGWIKZDL-TZMCWYRMSA-N 2 1 311.267 3.112 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000699541002 1095080169 /nfs/dbraw/zinc/08/01/69/1095080169.db2.gz IKRQIFJRPCLUCT-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000699541002 1095080184 /nfs/dbraw/zinc/08/01/84/1095080184.db2.gz IKRQIFJRPCLUCT-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316948862 1095202516 /nfs/dbraw/zinc/20/25/16/1095202516.db2.gz LGXJITLHVKKMAF-OTWHNJEPSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316948862 1095202523 /nfs/dbraw/zinc/20/25/23/1095202523.db2.gz LGXJITLHVKKMAF-OTWHNJEPSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316948862 1095202537 /nfs/dbraw/zinc/20/25/37/1095202537.db2.gz LGXJITLHVKKMAF-OTWHNJEPSA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316948862 1095202546 /nfs/dbraw/zinc/20/25/46/1095202546.db2.gz LGXJITLHVKKMAF-OTWHNJEPSA-N 2 1 302.462 3.153 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC001136942066 1095247563 /nfs/dbraw/zinc/24/75/63/1095247563.db2.gz SLZJQIXTFZOTQE-HOTGVXAUSA-N 2 1 324.415 3.104 20 0 DGADMP CCn1ccc2c1cccc2C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276827455 1095437103 /nfs/dbraw/zinc/43/71/03/1095437103.db2.gz MCUBEYPEYBUZHL-CALCHBBNSA-N 2 1 311.473 3.435 20 0 DGADMP CCn1ccc2c1cccc2C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276827455 1095437111 /nfs/dbraw/zinc/43/71/11/1095437111.db2.gz MCUBEYPEYBUZHL-CALCHBBNSA-N 2 1 311.473 3.435 20 0 DGADMP CCn1ccc2c1cccc2C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276827455 1095437119 /nfs/dbraw/zinc/43/71/19/1095437119.db2.gz MCUBEYPEYBUZHL-CALCHBBNSA-N 2 1 311.473 3.435 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2n1 ZINC001222148760 1095457652 /nfs/dbraw/zinc/45/76/52/1095457652.db2.gz SOZKQOZCONZDKV-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC001222153890 1095461602 /nfs/dbraw/zinc/46/16/02/1095461602.db2.gz CAQNSXCCSDKFKE-SFHVURJKSA-N 2 1 316.470 3.485 20 0 DGADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161622 1095467184 /nfs/dbraw/zinc/46/71/84/1095467184.db2.gz QGXRWNAZRULNBB-GOSISDBHSA-N 2 1 304.482 3.210 20 0 DGADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161622 1095467193 /nfs/dbraw/zinc/46/71/93/1095467193.db2.gz QGXRWNAZRULNBB-GOSISDBHSA-N 2 1 304.482 3.210 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]c2cc[nH+]cc12 ZINC001222166664 1095471125 /nfs/dbraw/zinc/47/11/25/1095471125.db2.gz BHMCMUBCULEWMY-IBGZPJMESA-N 3 1 312.461 3.309 20 0 DGADMP c1c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]c2cc[nH+]cc12 ZINC001222166664 1095471131 /nfs/dbraw/zinc/47/11/31/1095471131.db2.gz BHMCMUBCULEWMY-IBGZPJMESA-N 3 1 312.461 3.309 20 0 DGADMP COc1cc(O)cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166867 1095471244 /nfs/dbraw/zinc/47/12/44/1095471244.db2.gz DKOXAVUYCNHMOW-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP COc1cc(O)cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166867 1095471249 /nfs/dbraw/zinc/47/12/49/1095471249.db2.gz DKOXAVUYCNHMOW-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP c1[nH]nc2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)ccc12 ZINC001222167888 1095473895 /nfs/dbraw/zinc/47/38/95/1095473895.db2.gz UMUYNRNNVYJRMO-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167885 1095473928 /nfs/dbraw/zinc/47/39/28/1095473928.db2.gz UMFOZGHOQYARNZ-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c1)CCO2 ZINC001222168175 1095475834 /nfs/dbraw/zinc/47/58/34/1095475834.db2.gz WMILIBIYFLCKHW-HXUWFJFHSA-N 2 1 314.473 3.367 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)ncc2[nH]1 ZINC001222168265 1095476749 /nfs/dbraw/zinc/47/67/49/1095476749.db2.gz ZBBVSDCKCSVQDP-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP Nc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222173597 1095477904 /nfs/dbraw/zinc/47/79/04/1095477904.db2.gz VSLHTHJSPKKKDJ-SFHVURJKSA-N 2 1 305.441 3.154 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](CC)C2CCN(C)CC2)cc1F ZINC001144028291 1095481912 /nfs/dbraw/zinc/48/19/12/1095481912.db2.gz YWAUHJOIPLULSB-UHFFFAOYSA-N 2 1 312.404 3.280 20 0 DGADMP CCOc1c(F)cc(CN(CC)C2CC[NH+](C)CC2)cc1F ZINC001144028291 1095481916 /nfs/dbraw/zinc/48/19/16/1095481916.db2.gz YWAUHJOIPLULSB-UHFFFAOYSA-N 2 1 312.404 3.280 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171130617 1095488853 /nfs/dbraw/zinc/48/88/53/1095488853.db2.gz SCWIYUFGZJYIIX-SFHVURJKSA-N 2 1 306.881 3.471 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136202 1095500352 /nfs/dbraw/zinc/50/03/52/1095500352.db2.gz SNDPGXBJLZMVQZ-ZWKOTPCHSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136202 1095500368 /nfs/dbraw/zinc/50/03/68/1095500368.db2.gz SNDPGXBJLZMVQZ-ZWKOTPCHSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136202 1095500377 /nfs/dbraw/zinc/50/03/77/1095500377.db2.gz SNDPGXBJLZMVQZ-ZWKOTPCHSA-N 2 1 304.865 3.225 20 0 DGADMP Cc1c(O)cccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001144118640 1095516436 /nfs/dbraw/zinc/51/64/36/1095516436.db2.gz FBWZPBDOQBFQJQ-PMACEKPBSA-N 2 1 322.452 3.264 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265188 1095518057 /nfs/dbraw/zinc/51/80/57/1095518057.db2.gz PWDFZCSTDLOXHZ-IBGZPJMESA-N 2 1 314.429 3.407 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265188 1095518072 /nfs/dbraw/zinc/51/80/72/1095518072.db2.gz PWDFZCSTDLOXHZ-IBGZPJMESA-N 2 1 314.429 3.407 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222264724 1095520055 /nfs/dbraw/zinc/52/00/55/1095520055.db2.gz HIYACDLCXNONHQ-HXUWFJFHSA-N 2 1 324.472 3.351 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222264724 1095520062 /nfs/dbraw/zinc/52/00/62/1095520062.db2.gz HIYACDLCXNONHQ-HXUWFJFHSA-N 2 1 324.472 3.351 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265816 1095521354 /nfs/dbraw/zinc/52/13/54/1095521354.db2.gz ZTXFGRWWEGZZTO-HXUWFJFHSA-N 2 1 324.472 3.146 20 0 DGADMP c1nc2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001222272099 1095522581 /nfs/dbraw/zinc/52/25/81/1095522581.db2.gz NTRPPAIXDGLRTC-KRWDZBQOSA-N 2 1 301.459 3.262 20 0 DGADMP c1nc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001222272099 1095522595 /nfs/dbraw/zinc/52/25/95/1095522595.db2.gz NTRPPAIXDGLRTC-KRWDZBQOSA-N 2 1 301.459 3.262 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2[nH]ccc21 ZINC001222277143 1095526072 /nfs/dbraw/zinc/52/60/72/1095526072.db2.gz KRWLIJAYGRXTBF-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@]12CCC[NH2+]CC2)OCc1ccccc1 ZINC001222308757 1095540791 /nfs/dbraw/zinc/54/07/91/1095540791.db2.gz MBAUIFBDWGIFGG-HKUYNNGSSA-N 2 1 302.462 3.200 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222307756 1095542091 /nfs/dbraw/zinc/54/20/91/1095542091.db2.gz BDQJNELXQBOABO-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222316116 1095545675 /nfs/dbraw/zinc/54/56/75/1095545675.db2.gz SPFKLQRSSDJFFS-HXUWFJFHSA-N 2 1 324.472 3.493 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171148524 1095550836 /nfs/dbraw/zinc/55/08/36/1095550836.db2.gz POQUGRYEHDQMMK-GWCFXTLKSA-N 2 1 301.261 3.377 20 0 DGADMP CCCCc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)s1 ZINC001222400631 1095594814 /nfs/dbraw/zinc/59/48/14/1095594814.db2.gz BROKLYVBFDZKPR-UHFFFAOYSA-N 2 1 322.518 3.293 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC1CC[NH+](C)CC1 ZINC001222504199 1095643738 /nfs/dbraw/zinc/64/37/38/1095643738.db2.gz PWFSZELULYJUHQ-QFBILLFUSA-N 2 1 302.462 3.008 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001116773325 1095654586 /nfs/dbraw/zinc/65/45/86/1095654586.db2.gz KKTBJBJHOSNEAU-ROUUACIJSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001116773325 1095654591 /nfs/dbraw/zinc/65/45/91/1095654591.db2.gz KKTBJBJHOSNEAU-ROUUACIJSA-N 2 1 304.478 3.017 20 0 DGADMP CCC[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222577319 1095675167 /nfs/dbraw/zinc/67/51/67/1095675167.db2.gz YHATWDIJHONJBZ-SFHVURJKSA-N 2 1 302.462 3.200 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595471 1095683210 /nfs/dbraw/zinc/68/32/10/1095683210.db2.gz AQUDKTABDPZWII-FQEVSTJZSA-N 2 1 306.453 3.492 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@@H+]1C ZINC001116863012 1095683779 /nfs/dbraw/zinc/68/37/79/1095683779.db2.gz NAXXBKPBXMCTIE-HNAYVOBHSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[N@H+]1C ZINC001116863012 1095683782 /nfs/dbraw/zinc/68/37/82/1095683782.db2.gz NAXXBKPBXMCTIE-HNAYVOBHSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863012 1095683786 /nfs/dbraw/zinc/68/37/86/1095683786.db2.gz NAXXBKPBXMCTIE-HNAYVOBHSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC[NH+]1C ZINC001116863012 1095683789 /nfs/dbraw/zinc/68/37/89/1095683789.db2.gz NAXXBKPBXMCTIE-HNAYVOBHSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222602511 1095687091 /nfs/dbraw/zinc/68/70/91/1095687091.db2.gz RSHOYUUSCFFKMO-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222602511 1095687099 /nfs/dbraw/zinc/68/70/99/1095687099.db2.gz RSHOYUUSCFFKMO-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C ZINC001222602109 1095687977 /nfs/dbraw/zinc/68/79/77/1095687977.db2.gz IBCUUDZNLFTWGK-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C ZINC001222602109 1095687981 /nfs/dbraw/zinc/68/79/81/1095687981.db2.gz IBCUUDZNLFTWGK-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222623904 1095697611 /nfs/dbraw/zinc/69/76/11/1095697611.db2.gz PARLAUMPMCHLHZ-GASCZTMLSA-N 2 1 312.379 3.179 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1C ZINC001222623456 1095697975 /nfs/dbraw/zinc/69/79/75/1095697975.db2.gz JQTPZPBOWPNJIG-CALCHBBNSA-N 2 1 302.462 3.052 20 0 DGADMP Fc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1C(F)(F)F ZINC001222623542 1095698153 /nfs/dbraw/zinc/69/81/53/1095698153.db2.gz LWXMWVVGZMBWOR-BETUJISGSA-N 2 1 316.342 3.276 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C(C)C ZINC001222624336 1095699910 /nfs/dbraw/zinc/69/99/10/1095699910.db2.gz XRZYERCTHGICID-CALCHBBNSA-N 2 1 302.462 3.250 20 0 DGADMP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629682 1095700564 /nfs/dbraw/zinc/70/05/64/1095700564.db2.gz LKVQKKZYPUCUEA-BETUJISGSA-N 2 1 310.894 3.493 20 0 DGADMP Oc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cc1 ZINC001222629482 1095701421 /nfs/dbraw/zinc/70/14/21/1095701421.db2.gz JEYKGRFJRFHVEJ-BGYRXZFFSA-N 2 1 322.452 3.491 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(C(F)(F)F)c1 ZINC001222629232 1095701605 /nfs/dbraw/zinc/70/16/05/1095701605.db2.gz FKCXUYKGLGDUHB-GASCZTMLSA-N 2 1 312.379 3.445 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@@H]2CCC[C@H]21 ZINC001117112736 1095716941 /nfs/dbraw/zinc/71/69/41/1095716941.db2.gz NYJAZEXBOFQYDF-RWMBFGLXSA-N 2 1 313.239 3.005 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@@H]2CCC[C@H]21 ZINC001117112736 1095716952 /nfs/dbraw/zinc/71/69/52/1095716952.db2.gz NYJAZEXBOFQYDF-RWMBFGLXSA-N 2 1 313.239 3.005 20 0 DGADMP c1[nH+]c(CN2CCC[N@H+](Cc3ccccc3)CC2)c2ccccn12 ZINC001144623203 1095739177 /nfs/dbraw/zinc/73/91/77/1095739177.db2.gz SHDVTTPJFFMCRE-UHFFFAOYSA-N 2 1 320.440 3.042 20 0 DGADMP c1[nH+]c(CN2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccn12 ZINC001144623203 1095739188 /nfs/dbraw/zinc/73/91/88/1095739188.db2.gz SHDVTTPJFFMCRE-UHFFFAOYSA-N 2 1 320.440 3.042 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001137851637 1095764251 /nfs/dbraw/zinc/76/42/51/1095764251.db2.gz LMQCUCBQBIYISQ-IBGZPJMESA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001137851637 1095764257 /nfs/dbraw/zinc/76/42/57/1095764257.db2.gz LMQCUCBQBIYISQ-IBGZPJMESA-N 2 1 316.489 3.379 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001137875452 1095776161 /nfs/dbraw/zinc/77/61/61/1095776161.db2.gz WXWKUCVNCAJMOR-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001117762519 1095841053 /nfs/dbraw/zinc/84/10/53/1095841053.db2.gz SVPAONCXMVKOKO-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001117762519 1095841073 /nfs/dbraw/zinc/84/10/73/1095841073.db2.gz SVPAONCXMVKOKO-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001117762519 1095841095 /nfs/dbraw/zinc/84/10/95/1095841095.db2.gz SVPAONCXMVKOKO-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001340063405 1095844684 /nfs/dbraw/zinc/84/46/84/1095844684.db2.gz KTTNAACVNGLGLP-NWDGAFQWSA-N 2 1 300.418 3.304 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC001118059264 1095927639 /nfs/dbraw/zinc/92/76/39/1095927639.db2.gz LYBBJLVTBCYQIQ-MADCSZMMSA-N 2 1 303.631 3.027 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246638786 1095944135 /nfs/dbraw/zinc/94/41/35/1095944135.db2.gz TXICEZUXWTVULY-CJNGLKHVSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246638786 1095944140 /nfs/dbraw/zinc/94/41/40/1095944140.db2.gz TXICEZUXWTVULY-CJNGLKHVSA-N 2 1 323.278 3.208 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nn(C)cc2C)CC1)CC1CC1 ZINC001340714887 1096012912 /nfs/dbraw/zinc/01/29/12/1096012912.db2.gz WGBZJAMYZSAMBV-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1Cl ZINC001340981425 1096085920 /nfs/dbraw/zinc/08/59/20/1096085920.db2.gz UAQVRCFFTHAMGA-CQSZACIVSA-N 2 1 311.857 3.104 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001171289312 1096123820 /nfs/dbraw/zinc/12/38/20/1096123820.db2.gz RFMRSDUZSVXJJB-KGLIPLIRSA-N 2 1 322.880 3.280 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001171290928 1096128819 /nfs/dbraw/zinc/12/88/19/1096128819.db2.gz BYVJARCTELZMTA-KBPBESRZSA-N 2 1 322.880 3.137 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001224118906 1096138319 /nfs/dbraw/zinc/13/83/19/1096138319.db2.gz MFWNPPMNVDYLCR-LPHOPBHVSA-N 2 1 313.489 3.440 20 0 DGADMP C[NH+](C)CC[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224130870 1096141021 /nfs/dbraw/zinc/14/10/21/1096141021.db2.gz LIXYEKVKKJHBDW-RDGPPVDQSA-N 2 1 302.462 3.321 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H](n1c(C)c[nH+]c1CC[NH3+])CC2 ZINC001171293506 1096157341 /nfs/dbraw/zinc/15/73/41/1096157341.db2.gz QYFKBQPFUJQCHQ-LBPRGKRZSA-N 2 1 319.836 3.085 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171294490 1096165151 /nfs/dbraw/zinc/16/51/51/1096165151.db2.gz ULLDJCLKOWOZQP-ZDUSSCGKSA-N 2 1 310.869 3.267 20 0 DGADMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(C)c1 ZINC001119450937 1096204927 /nfs/dbraw/zinc/20/49/27/1096204927.db2.gz POXZBDMPHYEWNL-UHFFFAOYSA-N 2 1 302.462 3.036 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001224704572 1096268477 /nfs/dbraw/zinc/26/84/77/1096268477.db2.gz ARRQWGIHHITJDN-DLBZAZTESA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224704572 1096268483 /nfs/dbraw/zinc/26/84/83/1096268483.db2.gz ARRQWGIHHITJDN-DLBZAZTESA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224704572 1096268489 /nfs/dbraw/zinc/26/84/89/1096268489.db2.gz ARRQWGIHHITJDN-DLBZAZTESA-N 2 1 322.880 3.415 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(NC[C@@H]3CCCC[NH2+]3)c(C)c2)CC1 ZINC001171329438 1096353489 /nfs/dbraw/zinc/35/34/89/1096353489.db2.gz WFSWVRYVSYWQBA-SFHVURJKSA-N 2 1 314.477 3.053 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171379864 1096614440 /nfs/dbraw/zinc/61/44/40/1096614440.db2.gz ILCDTDGNXWEUIB-INIZCTEOSA-N 2 1 308.416 3.238 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171379864 1096614445 /nfs/dbraw/zinc/61/44/45/1096614445.db2.gz ILCDTDGNXWEUIB-INIZCTEOSA-N 2 1 308.416 3.238 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171384335 1096627953 /nfs/dbraw/zinc/62/79/53/1096627953.db2.gz VHKMBRLYABGDFB-MRXNPFEDSA-N 2 1 310.432 3.486 20 0 DGADMP Fc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001171417322 1096705289 /nfs/dbraw/zinc/70/52/89/1096705289.db2.gz ARZIPHHYTIWMNE-QGZVFWFLSA-N 2 1 302.437 3.243 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171460982 1096891385 /nfs/dbraw/zinc/89/13/85/1096891385.db2.gz VCQSOKOLQPKSCM-WBAXXEDZSA-N 2 1 308.416 3.285 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)CC1 ZINC001171492838 1096898795 /nfs/dbraw/zinc/89/87/95/1096898795.db2.gz JPMAXBXOHIGBDZ-MRXNPFEDSA-N 2 1 320.427 3.240 20 0 DGADMP COc1c(C)ccc(F)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277190609 1096899773 /nfs/dbraw/zinc/89/97/73/1096899773.db2.gz MULZMGSXPSOJBY-UHFFFAOYSA-N 2 1 320.452 3.451 20 0 DGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539295 1096910485 /nfs/dbraw/zinc/91/04/85/1096910485.db2.gz RTSLXRDCYUBKKE-FDICQLOXSA-N 2 1 323.525 3.092 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227307674 1096915195 /nfs/dbraw/zinc/91/51/95/1096915195.db2.gz HAMWVKJZMMJWOD-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171511764 1096915440 /nfs/dbraw/zinc/91/54/40/1096915440.db2.gz IRNZFTKORNNLRK-ZDUSSCGKSA-N 2 1 324.390 3.178 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554853 1096922197 /nfs/dbraw/zinc/92/21/97/1096922197.db2.gz PYTOGWCBLYGFEA-IEBWSBKVSA-N 2 1 317.477 3.189 20 0 DGADMP Cc1cccc2c1CC[C@H]([N@H+]1Cc3ccccc3C[C@H]1CN)C2 ZINC001171563004 1096924511 /nfs/dbraw/zinc/92/45/11/1096924511.db2.gz BSHQKNLXQUFJIY-PMACEKPBSA-N 2 1 306.453 3.238 20 0 DGADMP Cc1cccc2c1CC[C@H](N1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001171563004 1096924512 /nfs/dbraw/zinc/92/45/12/1096924512.db2.gz BSHQKNLXQUFJIY-PMACEKPBSA-N 2 1 306.453 3.238 20 0 DGADMP CC(C)[N@H+]1CC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171628893 1096929767 /nfs/dbraw/zinc/92/97/67/1096929767.db2.gz LPGFVMJMGQKQHK-WBVHZDCISA-N 2 1 309.542 3.346 20 0 DGADMP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171628893 1096929772 /nfs/dbraw/zinc/92/97/72/1096929772.db2.gz LPGFVMJMGQKQHK-WBVHZDCISA-N 3 1 309.542 3.346 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171628893 1096929777 /nfs/dbraw/zinc/92/97/77/1096929777.db2.gz LPGFVMJMGQKQHK-WBVHZDCISA-N 3 1 309.542 3.346 20 0 DGADMP C[NH+]1C(C)(C)CC([N@@H+](CCO)Cc2ccccc2)CC1(C)C ZINC001171628577 1096930244 /nfs/dbraw/zinc/93/02/44/1096930244.db2.gz BMWMJHQFCAETQF-UHFFFAOYSA-N 2 1 304.478 3.132 20 0 DGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171597407 1096933170 /nfs/dbraw/zinc/93/31/70/1096933170.db2.gz YHKJOERRTIHPRY-MRXNPFEDSA-N 2 1 313.530 3.172 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2c3ccccc3CC[C@H]2O)CC1(C)C ZINC001171623351 1096937221 /nfs/dbraw/zinc/93/72/21/1096937221.db2.gz VJLNCKGHJUJATO-QZTJIDSGSA-N 2 1 316.489 3.276 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncn2C2CCC2)CC1(C)C ZINC001171626846 1096938433 /nfs/dbraw/zinc/93/84/33/1096938433.db2.gz DCJOVGJGXVAYDM-UHFFFAOYSA-N 2 1 304.482 3.349 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]CC2Oc3ccccc3O2)CC1(C)C ZINC001171626324 1096938690 /nfs/dbraw/zinc/93/86/90/1096938690.db2.gz YIVLNQZNHWKBDZ-UHFFFAOYSA-N 2 1 304.434 3.025 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171780832 1096975759 /nfs/dbraw/zinc/97/57/59/1096975759.db2.gz RVFULOHMNFIZAL-RBAQFSTRSA-N 2 1 322.427 3.013 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171780832 1096975764 /nfs/dbraw/zinc/97/57/64/1096975764.db2.gz RVFULOHMNFIZAL-RBAQFSTRSA-N 2 1 322.427 3.013 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171783551 1096976479 /nfs/dbraw/zinc/97/64/79/1096976479.db2.gz TUWLDPROYLMZRD-CRAIPNDOSA-N 2 1 312.432 3.390 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962394 1097006870 /nfs/dbraw/zinc/00/68/70/1097006870.db2.gz CRRFRLFNDQCKEA-RBUKOAKNSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965097 1097007016 /nfs/dbraw/zinc/00/70/16/1097007016.db2.gz OBLZEFRGMWCBTI-ZWKOTPCHSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967182 1097007582 /nfs/dbraw/zinc/00/75/82/1097007582.db2.gz YALLGOFLQCDLIA-QGZVFWFLSA-N 2 1 304.478 3.038 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001171940257 1097012902 /nfs/dbraw/zinc/01/29/02/1097012902.db2.gz OLCINRNHLQJMOD-WIAUISJOSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001171940257 1097012910 /nfs/dbraw/zinc/01/29/10/1097012910.db2.gz OLCINRNHLQJMOD-WIAUISJOSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)C1(C)CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001171948573 1097014874 /nfs/dbraw/zinc/01/48/74/1097014874.db2.gz PRFPDAITVKLMID-LRYGQEGESA-N 2 1 324.509 3.339 20 0 DGADMP C[N@@H+](CC1COC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989188 1097015256 /nfs/dbraw/zinc/01/52/56/1097015256.db2.gz ZXIDXDLLJGAYLS-GOSISDBHSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](CC1COC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989188 1097015261 /nfs/dbraw/zinc/01/52/61/1097015261.db2.gz ZXIDXDLLJGAYLS-GOSISDBHSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](CC1COC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989188 1097015267 /nfs/dbraw/zinc/01/52/67/1097015267.db2.gz ZXIDXDLLJGAYLS-GOSISDBHSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970877 1097020358 /nfs/dbraw/zinc/02/03/58/1097020358.db2.gz FWNUDZSNMLILDJ-KZNAEPCWSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976947 1097025099 /nfs/dbraw/zinc/02/50/99/1097025099.db2.gz VZVAZLAEVDXQNI-QZTJIDSGSA-N 2 1 304.478 3.444 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977409 1097026303 /nfs/dbraw/zinc/02/63/03/1097026303.db2.gz RGIQGQIHIGSBJG-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977409 1097026312 /nfs/dbraw/zinc/02/63/12/1097026312.db2.gz RGIQGQIHIGSBJG-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCCOCC2)CC[NH+]1Cc1ccccc1 ZINC001171977409 1097026317 /nfs/dbraw/zinc/02/63/17/1097026317.db2.gz RGIQGQIHIGSBJG-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCCOCC2)CC[NH+]1Cc1ccccc1 ZINC001171977409 1097026324 /nfs/dbraw/zinc/02/63/24/1097026324.db2.gz RGIQGQIHIGSBJG-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983378 1097028390 /nfs/dbraw/zinc/02/83/90/1097028390.db2.gz WQVGTFMQALDYPE-SFHVURJKSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983378 1097028395 /nfs/dbraw/zinc/02/83/95/1097028395.db2.gz WQVGTFMQALDYPE-SFHVURJKSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983378 1097028409 /nfs/dbraw/zinc/02/84/09/1097028409.db2.gz WQVGTFMQALDYPE-SFHVURJKSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@H+]1C ZINC001171987942 1097029089 /nfs/dbraw/zinc/02/90/89/1097029089.db2.gz MJTGZKVCJWHTOY-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC001171987942 1097029093 /nfs/dbraw/zinc/02/90/93/1097029093.db2.gz MJTGZKVCJWHTOY-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH+]1C ZINC001171987942 1097029098 /nfs/dbraw/zinc/02/90/98/1097029098.db2.gz MJTGZKVCJWHTOY-MJGOQNOKSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@H+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073969 1097037382 /nfs/dbraw/zinc/03/73/82/1097037382.db2.gz FOHRFXTTXZAFPD-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073969 1097037387 /nfs/dbraw/zinc/03/73/87/1097037387.db2.gz FOHRFXTTXZAFPD-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073969 1097037392 /nfs/dbraw/zinc/03/73/92/1097037392.db2.gz FOHRFXTTXZAFPD-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073969 1097037396 /nfs/dbraw/zinc/03/73/96/1097037396.db2.gz FOHRFXTTXZAFPD-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073257 1097037437 /nfs/dbraw/zinc/03/74/37/1097037437.db2.gz PPVIKCTWZSXOBE-KANFNMMFSA-N 2 1 302.462 3.197 20 0 DGADMP [NH3+]Cc1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062756 1097042561 /nfs/dbraw/zinc/04/25/61/1097042561.db2.gz RVGBXHHFTLHEFP-PIIMJCKOSA-N 2 1 310.445 3.100 20 0 DGADMP C[N@H+](Cc1ccncc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204081920 1097042710 /nfs/dbraw/zinc/04/27/10/1097042710.db2.gz SYDQPYULPOQYQZ-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)COC1 ZINC001172064651 1097044116 /nfs/dbraw/zinc/04/41/16/1097044116.db2.gz IMMVPOHWPDNMRI-LDLYASANSA-N 2 1 314.473 3.341 20 0 DGADMP CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC001172064651 1097044121 /nfs/dbraw/zinc/04/41/21/1097044121.db2.gz IMMVPOHWPDNMRI-LDLYASANSA-N 2 1 314.473 3.341 20 0 DGADMP OC[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069427 1097045598 /nfs/dbraw/zinc/04/55/98/1097045598.db2.gz QDPARMLITJXOQE-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069427 1097045604 /nfs/dbraw/zinc/04/56/04/1097045604.db2.gz QDPARMLITJXOQE-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069427 1097045610 /nfs/dbraw/zinc/04/56/10/1097045610.db2.gz QDPARMLITJXOQE-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069427 1097045615 /nfs/dbraw/zinc/04/56/15/1097045615.db2.gz QDPARMLITJXOQE-ZGXWSNOMSA-N 2 1 314.473 3.029 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127696 1097048119 /nfs/dbraw/zinc/04/81/19/1097048119.db2.gz KUBRQLKBELDUDK-YYIAUSFCSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127696 1097048125 /nfs/dbraw/zinc/04/81/25/1097048125.db2.gz KUBRQLKBELDUDK-YYIAUSFCSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127696 1097048129 /nfs/dbraw/zinc/04/81/29/1097048129.db2.gz KUBRQLKBELDUDK-YYIAUSFCSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127696 1097048133 /nfs/dbraw/zinc/04/81/33/1097048133.db2.gz KUBRQLKBELDUDK-YYIAUSFCSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127696 1097048137 /nfs/dbraw/zinc/04/81/37/1097048137.db2.gz KUBRQLKBELDUDK-YYIAUSFCSA-N 2 1 322.493 3.198 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127694 1097048377 /nfs/dbraw/zinc/04/83/77/1097048377.db2.gz KUBRQLKBELDUDK-YVSFHVDLSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127694 1097048382 /nfs/dbraw/zinc/04/83/82/1097048382.db2.gz KUBRQLKBELDUDK-YVSFHVDLSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127694 1097048385 /nfs/dbraw/zinc/04/83/85/1097048385.db2.gz KUBRQLKBELDUDK-YVSFHVDLSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127694 1097048391 /nfs/dbraw/zinc/04/83/91/1097048391.db2.gz KUBRQLKBELDUDK-YVSFHVDLSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127694 1097048396 /nfs/dbraw/zinc/04/83/96/1097048396.db2.gz KUBRQLKBELDUDK-YVSFHVDLSA-N 2 1 322.493 3.198 20 0 DGADMP COc1cc2c(cc1OC)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172132855 1097050731 /nfs/dbraw/zinc/05/07/31/1097050731.db2.gz PAYQEOFILWKSBC-BJWYYQGGSA-N 2 1 316.445 3.035 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CCOCC1)C2 ZINC001172102003 1097052193 /nfs/dbraw/zinc/05/21/93/1097052193.db2.gz IZUVAGFPVOKWMN-REPLKXPHSA-N 2 1 314.473 3.297 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CCOCC1)C2 ZINC001172102003 1097052199 /nfs/dbraw/zinc/05/21/99/1097052199.db2.gz IZUVAGFPVOKWMN-REPLKXPHSA-N 2 1 314.473 3.297 20 0 DGADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172104082 1097052364 /nfs/dbraw/zinc/05/23/64/1097052364.db2.gz ZQOYGUBPNGDYRF-VQHPVUNQSA-N 2 1 318.461 3.067 20 0 DGADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102229 1097053609 /nfs/dbraw/zinc/05/36/09/1097053609.db2.gz LAPSTEMDTFMDSA-NNZMDNLPSA-N 2 1 302.462 3.369 20 0 DGADMP COc1cccc([C@H](C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108666 1097054592 /nfs/dbraw/zinc/05/45/92/1097054592.db2.gz CTQMXRIAKRXPAD-DDBAPUKQSA-N 2 1 302.462 3.404 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3cc(O)ccc31)C2 ZINC001172108782 1097054720 /nfs/dbraw/zinc/05/47/20/1097054720.db2.gz ZFXPTCUXVTYVIB-MUJYYYPQSA-N 2 1 313.445 3.036 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110552 1097056163 /nfs/dbraw/zinc/05/61/63/1097056163.db2.gz OKBRQSHCPQCBSZ-LOUJCGABSA-N 2 1 322.399 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110552 1097056169 /nfs/dbraw/zinc/05/61/69/1097056169.db2.gz OKBRQSHCPQCBSZ-LOUJCGABSA-N 2 1 322.399 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccn3)CCC1)C2 ZINC001172109591 1097056828 /nfs/dbraw/zinc/05/68/28/1097056828.db2.gz FLSALAGMPAXIFD-REPLKXPHSA-N 2 1 313.489 3.399 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172110120 1097057476 /nfs/dbraw/zinc/05/74/76/1097057476.db2.gz KUSCDHGYMBAEEJ-NRSFXHEJSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172110120 1097057483 /nfs/dbraw/zinc/05/74/83/1097057483.db2.gz KUSCDHGYMBAEEJ-NRSFXHEJSA-N 2 1 302.462 3.231 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1ccncc1)C2 ZINC001172110265 1097057960 /nfs/dbraw/zinc/05/79/60/1097057960.db2.gz JHHDYOLZCIKMKW-BCDXTJNWSA-N 2 1 301.478 3.255 20 0 DGADMP COc1ccc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172112131 1097058126 /nfs/dbraw/zinc/05/81/26/1097058126.db2.gz RXIHNYLRKQVOAT-YYAJDYIMSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccc3ccccc31)C2 ZINC001172112030 1097059187 /nfs/dbraw/zinc/05/91/87/1097059187.db2.gz ZLBBXZREMVYRQY-DCXXXQMHSA-N 2 1 324.468 3.478 20 0 DGADMP Cc1ccnc(C(C)(C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112390 1097059914 /nfs/dbraw/zinc/05/99/14/1097059914.db2.gz WJBSGYCTCXBUDG-OSYLJGHBSA-N 2 1 301.478 3.273 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1ccccn1)C2 ZINC001172112514 1097060050 /nfs/dbraw/zinc/06/00/50/1097060050.db2.gz WRIHJEDQUOVWDU-NNZMDNLPSA-N 2 1 301.478 3.255 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccn(Cc3ccccc3)n1)C2 ZINC001172116281 1097061395 /nfs/dbraw/zinc/06/13/95/1097061395.db2.gz GPNAAKNDFJZPBX-OWZKRDHZSA-N 2 1 324.472 3.036 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[NH+](CC3CCCCC3)C1)C2 ZINC001172114734 1097062356 /nfs/dbraw/zinc/06/23/56/1097062356.db2.gz PLTQJFWAVQOEJR-LWYYNNOASA-N 2 1 319.537 3.246 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@H+](CC3CCCCC3)C1)C2 ZINC001172114734 1097062362 /nfs/dbraw/zinc/06/23/62/1097062362.db2.gz PLTQJFWAVQOEJR-LWYYNNOASA-N 2 1 319.537 3.246 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001172114734 1097062369 /nfs/dbraw/zinc/06/23/69/1097062369.db2.gz PLTQJFWAVQOEJR-LWYYNNOASA-N 2 1 319.537 3.246 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172123979 1097065731 /nfs/dbraw/zinc/06/57/31/1097065731.db2.gz IFGVBDSMZKLLOP-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172123979 1097065734 /nfs/dbraw/zinc/06/57/34/1097065734.db2.gz IFGVBDSMZKLLOP-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172123979 1097065739 /nfs/dbraw/zinc/06/57/39/1097065739.db2.gz IFGVBDSMZKLLOP-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172123979 1097065743 /nfs/dbraw/zinc/06/57/43/1097065743.db2.gz IFGVBDSMZKLLOP-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172123979 1097065748 /nfs/dbraw/zinc/06/57/48/1097065748.db2.gz IFGVBDSMZKLLOP-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172233029 1097082893 /nfs/dbraw/zinc/08/28/93/1097082893.db2.gz OXEVOTMPFMWTFI-VJAOCGABSA-N 2 1 312.457 3.115 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172233029 1097082897 /nfs/dbraw/zinc/08/28/97/1097082897.db2.gz OXEVOTMPFMWTFI-VJAOCGABSA-N 2 1 312.457 3.115 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC001172244791 1097090430 /nfs/dbraw/zinc/09/04/30/1097090430.db2.gz YTOHFNNACUFJIN-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172372244 1097111067 /nfs/dbraw/zinc/11/10/67/1097111067.db2.gz DFKQMFLJHVGFSN-QFHJOOASSA-N 2 1 308.510 3.386 20 0 DGADMP CC[C@H](C)OCC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172335906 1097116549 /nfs/dbraw/zinc/11/65/49/1097116549.db2.gz LEAJKOLAKWIFLF-HOTGVXAUSA-N 3 1 315.546 3.055 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC001172359523 1097124944 /nfs/dbraw/zinc/12/49/44/1097124944.db2.gz JYPZGUVLCGBYLG-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP CC[C@H](CC(C)C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001172405134 1097130798 /nfs/dbraw/zinc/13/07/98/1097130798.db2.gz SGVVMFKHQGDMAJ-MRXNPFEDSA-N 2 1 304.482 3.477 20 0 DGADMP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172409554 1097131767 /nfs/dbraw/zinc/13/17/67/1097131767.db2.gz WUJASSZTMZTEPK-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172429896 1097138915 /nfs/dbraw/zinc/13/89/15/1097138915.db2.gz BBMXQUVUVWVYOW-KRWDZBQOSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172437832 1097154275 /nfs/dbraw/zinc/15/42/75/1097154275.db2.gz VXGSCAXMVKHIEN-OAHLLOKOSA-N 2 1 308.441 3.279 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001172446126 1097156682 /nfs/dbraw/zinc/15/66/82/1097156682.db2.gz IGCRHUMIFLMGIU-YESZJQIVSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172446126 1097156687 /nfs/dbraw/zinc/15/66/87/1097156687.db2.gz IGCRHUMIFLMGIU-YESZJQIVSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172446126 1097156691 /nfs/dbraw/zinc/15/66/91/1097156691.db2.gz IGCRHUMIFLMGIU-YESZJQIVSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172446126 1097156696 /nfs/dbraw/zinc/15/66/96/1097156696.db2.gz IGCRHUMIFLMGIU-YESZJQIVSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172446126 1097156700 /nfs/dbraw/zinc/15/67/00/1097156700.db2.gz IGCRHUMIFLMGIU-YESZJQIVSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172447445 1097157009 /nfs/dbraw/zinc/15/70/09/1097157009.db2.gz CPURLLLYBWZMKV-RLLQIKCJSA-N 2 1 316.489 3.254 20 0 DGADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172447445 1097157014 /nfs/dbraw/zinc/15/70/14/1097157014.db2.gz CPURLLLYBWZMKV-RLLQIKCJSA-N 2 1 316.489 3.254 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172575478 1097184716 /nfs/dbraw/zinc/18/47/16/1097184716.db2.gz IAYLVZFNBZIYLH-WDEREUQCSA-N 2 1 304.812 3.466 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172592504 1097189900 /nfs/dbraw/zinc/18/99/00/1097189900.db2.gz OAYZYXKAMCXRMS-SJORKVTESA-N 2 1 312.498 3.210 20 0 DGADMP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719094 1097215118 /nfs/dbraw/zinc/21/51/18/1097215118.db2.gz ZNRJDFUWGUAGNT-KRWDZBQOSA-N 2 1 304.865 3.401 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206175715 1097236717 /nfs/dbraw/zinc/23/67/17/1097236717.db2.gz XHBJBZOVKPUTGD-GJZGRUSLSA-N 2 1 319.449 3.380 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172854988 1097262530 /nfs/dbraw/zinc/26/25/30/1097262530.db2.gz BAKRGYXKKLVVLA-GUYCJALGSA-N 2 1 310.844 3.438 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@H]2C1 ZINC001172872992 1097270780 /nfs/dbraw/zinc/27/07/80/1097270780.db2.gz QORFAHUTOFPVHM-NWANDNLSSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)n1c[nH+]cc1CC[NH3+] ZINC001173081715 1097326155 /nfs/dbraw/zinc/32/61/55/1097326155.db2.gz GBFKPDJIFDSRFG-LLVKDONJSA-N 2 1 313.323 3.087 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001173102456 1097329069 /nfs/dbraw/zinc/32/90/69/1097329069.db2.gz YGXSBPPDTBXEFU-LMDPOFIKSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001173108609 1097331906 /nfs/dbraw/zinc/33/19/06/1097331906.db2.gz PEBWJPIWBQNCOQ-OPQOLIRYSA-N 2 1 306.494 3.473 20 0 DGADMP CCCCC[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC ZINC001173108305 1097331969 /nfs/dbraw/zinc/33/19/69/1097331969.db2.gz IQQJKTOKWAOXSU-JCYILVPMSA-N 2 1 312.498 3.351 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](c3nnc(C)o3)C2)CC1 ZINC001173113646 1097332629 /nfs/dbraw/zinc/33/26/29/1097332629.db2.gz ZAPQQRXJBNHWSE-KLAILNCOSA-N 2 1 320.481 3.210 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173121046 1097335668 /nfs/dbraw/zinc/33/56/68/1097335668.db2.gz LWZRUDIYONLBOI-HOTGVXAUSA-N 2 1 315.486 3.283 20 0 DGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229515965 1097337156 /nfs/dbraw/zinc/33/71/56/1097337156.db2.gz CNJIUOSXQBELNE-BTFXCVNISA-N 2 1 323.525 3.092 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001173174518 1097355900 /nfs/dbraw/zinc/35/59/00/1097355900.db2.gz WWUIUCNDVJKGHD-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001173174518 1097355906 /nfs/dbraw/zinc/35/59/06/1097355906.db2.gz WWUIUCNDVJKGHD-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001173174518 1097355909 /nfs/dbraw/zinc/35/59/09/1097355909.db2.gz WWUIUCNDVJKGHD-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173198605 1097360013 /nfs/dbraw/zinc/36/00/13/1097360013.db2.gz WTQKNWLIDXNJIC-LRYGQEGESA-N 2 1 302.462 3.451 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202251 1097361543 /nfs/dbraw/zinc/36/15/43/1097361543.db2.gz PBIAGGSBDQYXGH-JVGQSUMCSA-N 2 1 302.462 3.306 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202251 1097361546 /nfs/dbraw/zinc/36/15/46/1097361546.db2.gz PBIAGGSBDQYXGH-JVGQSUMCSA-N 2 1 302.462 3.306 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(CC)cc3)C[C@@H]2C1 ZINC001173245039 1097384061 /nfs/dbraw/zinc/38/40/61/1097384061.db2.gz GFWRRMRIGODQQK-FFZOFVMBSA-N 2 1 300.490 3.454 20 0 DGADMP CCSC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001173299190 1097402730 /nfs/dbraw/zinc/40/27/30/1097402730.db2.gz BRTXUCYZEWYESH-KKUMJFAQSA-N 2 1 310.532 3.253 20 0 DGADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)C1 ZINC001173276612 1097409938 /nfs/dbraw/zinc/40/99/38/1097409938.db2.gz JEDZEPFDBLFYHB-BTHPGYMESA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276612 1097409943 /nfs/dbraw/zinc/40/99/43/1097409943.db2.gz JEDZEPFDBLFYHB-BTHPGYMESA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276612 1097409949 /nfs/dbraw/zinc/40/99/49/1097409949.db2.gz JEDZEPFDBLFYHB-BTHPGYMESA-N 2 1 320.521 3.245 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001173440066 1097438858 /nfs/dbraw/zinc/43/88/58/1097438858.db2.gz CSQGHAGCADDNFR-IRXDYDNUSA-N 2 1 320.477 3.205 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001173455659 1097452145 /nfs/dbraw/zinc/45/21/45/1097452145.db2.gz SKKHUTDLMWAZSD-MSOLQXFVSA-N 2 1 324.509 3.449 20 0 DGADMP C[NH+](C)CC[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1 ZINC001230516337 1097501307 /nfs/dbraw/zinc/50/13/07/1097501307.db2.gz PLXSGHUULCWKIO-KRWDZBQOSA-N 2 1 310.401 3.217 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1cc[nH+]cc1C ZINC001174537428 1097747135 /nfs/dbraw/zinc/74/71/35/1097747135.db2.gz JFUHNDRJVIMFMS-UHFFFAOYSA-N 2 1 317.190 3.274 20 0 DGADMP CN1CCC([N@@H+](Cc2c[nH]c3cccnc23)C2CCCC2)CC1 ZINC001231494234 1097762612 /nfs/dbraw/zinc/76/26/12/1097762612.db2.gz OFQMFYYGDSNXNF-UHFFFAOYSA-N 2 1 312.461 3.402 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3cc[nH]c3cn2)CC1 ZINC001231668548 1097812759 /nfs/dbraw/zinc/81/27/59/1097812759.db2.gz ZHGYYHIIYHRTQE-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC001231684751 1097817635 /nfs/dbraw/zinc/81/76/35/1097817635.db2.gz PQPZLFABVHGJNM-UHFFFAOYSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c[nH]nc21 ZINC001231973958 1097905591 /nfs/dbraw/zinc/90/55/91/1097905591.db2.gz OQJBBBFWXKKZKC-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2c[nH]nc21 ZINC001231973958 1097905594 /nfs/dbraw/zinc/90/55/94/1097905594.db2.gz OQJBBBFWXKKZKC-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2c[nH]nc21 ZINC001231973958 1097905598 /nfs/dbraw/zinc/90/55/98/1097905598.db2.gz OQJBBBFWXKKZKC-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1c1ccccc1 ZINC001232013808 1097916167 /nfs/dbraw/zinc/91/61/67/1097916167.db2.gz FXLUBUVQPFGQTK-LJQANCHMSA-N 2 1 306.413 3.052 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1OC ZINC001232014607 1097917546 /nfs/dbraw/zinc/91/75/46/1097917546.db2.gz SHKFIBQNNGAQPY-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP C[N@@H+](Cc1cc2ncccc2[nH]1)Cc1ccc(-n2ccnc2)cc1 ZINC001232066111 1097928575 /nfs/dbraw/zinc/92/85/75/1097928575.db2.gz NFOXVHVHKGFTRN-UHFFFAOYSA-N 2 1 317.396 3.381 20 0 DGADMP CC(C)[N@@H+](Cc1cnc(-c2cccnc2)o1)C1CCN(C)CC1 ZINC001232137990 1097947130 /nfs/dbraw/zinc/94/71/30/1097947130.db2.gz OMFOUGZSNOZXPL-UHFFFAOYSA-N 2 1 314.433 3.041 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](COCC3CC3)C2)c1 ZINC001232150076 1097950972 /nfs/dbraw/zinc/95/09/72/1097950972.db2.gz RZONUVJRMFUYTM-INIZCTEOSA-N 2 1 320.452 3.136 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccnc4c(F)cccc34)C[C@@H]2C1 ZINC001232213075 1097968197 /nfs/dbraw/zinc/96/81/97/1097968197.db2.gz FAPMGLRBWMWQIN-HOTGVXAUSA-N 2 1 313.420 3.148 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)c1 ZINC001277681695 1098078009 /nfs/dbraw/zinc/07/80/09/1098078009.db2.gz XYRNUMHTKAAFAW-IBGZPJMESA-N 2 1 315.461 3.004 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)c1 ZINC001277681695 1098078013 /nfs/dbraw/zinc/07/80/13/1098078013.db2.gz XYRNUMHTKAAFAW-IBGZPJMESA-N 2 1 315.461 3.004 20 0 DGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001175643765 1098112790 /nfs/dbraw/zinc/11/27/90/1098112790.db2.gz GJRUQBLTVMGKKB-CVEARBPZSA-N 2 1 322.497 3.043 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(CCO)cc1 ZINC001232779101 1098131590 /nfs/dbraw/zinc/13/15/90/1098131590.db2.gz GOUDLXVQYHBCAS-PMACEKPBSA-N 2 1 316.489 3.060 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(CCO)cc1 ZINC001232779101 1098131596 /nfs/dbraw/zinc/13/15/96/1098131596.db2.gz GOUDLXVQYHBCAS-PMACEKPBSA-N 2 1 316.489 3.060 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(CCO)cc1 ZINC001232779101 1098131598 /nfs/dbraw/zinc/13/15/98/1098131598.db2.gz GOUDLXVQYHBCAS-PMACEKPBSA-N 2 1 316.489 3.060 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832355 1098176502 /nfs/dbraw/zinc/17/65/02/1098176502.db2.gz YNWKKEROKJLJIN-APWZRJJASA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832355 1098176509 /nfs/dbraw/zinc/17/65/09/1098176509.db2.gz YNWKKEROKJLJIN-APWZRJJASA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(c3c[nH+]cn3C)[C@@H]2C1 ZINC001277765967 1098234478 /nfs/dbraw/zinc/23/44/78/1098234478.db2.gz YVZNPFXARSWYQO-IXDOHACOSA-N 2 1 304.482 3.147 20 0 DGADMP c1nn2ccccc2c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233239593 1098261210 /nfs/dbraw/zinc/26/12/10/1098261210.db2.gz YUPJYNZQIOYHQW-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP c1nn2ccccc2c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233239593 1098261214 /nfs/dbraw/zinc/26/12/14/1098261214.db2.gz YUPJYNZQIOYHQW-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cc4ccccc4)cc3)C[C@@H]2C1 ZINC001233331226 1098290895 /nfs/dbraw/zinc/29/08/95/1098290895.db2.gz MHUCGNGXIPVZSY-OYRHEFFESA-N 2 1 306.453 3.271 20 0 DGADMP Cc1cc[nH+]c(C)c1Nc1ccc(OCCC[NH+](C)C)nc1 ZINC001176353924 1098329987 /nfs/dbraw/zinc/32/99/87/1098329987.db2.gz GXRPQPNLELECTQ-UHFFFAOYSA-N 2 1 300.406 3.168 20 0 DGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591901 1098382779 /nfs/dbraw/zinc/38/27/79/1098382779.db2.gz RUWMMDXECWDONM-MRXNPFEDSA-N 2 1 322.497 3.036 20 0 DGADMP C[NH+](C)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206286973 1098454944 /nfs/dbraw/zinc/45/49/44/1098454944.db2.gz PXXABBRFHNEMIH-ZDUSSCGKSA-N 2 1 317.260 3.146 20 0 DGADMP C[NH+](C)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206286973 1098454946 /nfs/dbraw/zinc/45/49/46/1098454946.db2.gz PXXABBRFHNEMIH-ZDUSSCGKSA-N 2 1 317.260 3.146 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC001206294966 1098484232 /nfs/dbraw/zinc/48/42/32/1098484232.db2.gz KTRLRTRCBMXETE-HNNXBMFYSA-N 2 1 311.267 3.400 20 0 DGADMP COc1cc(C)ccc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001177295223 1098505503 /nfs/dbraw/zinc/50/55/03/1098505503.db2.gz ZTRVBUWSNWKJOU-IRXDYDNUSA-N 2 1 304.478 3.461 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn2ccccc12 ZINC001177299058 1098506337 /nfs/dbraw/zinc/50/63/37/1098506337.db2.gz JQYPFGXIZRJFIQ-INIZCTEOSA-N 2 1 300.450 3.079 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)s2)CC1 ZINC001206305373 1098552449 /nfs/dbraw/zinc/55/24/49/1098552449.db2.gz YBCPRXHEBSGABU-CYBMUJFWSA-N 2 1 317.296 3.462 20 0 DGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1CC[NH+](C)C3)C2 ZINC001234425230 1098553050 /nfs/dbraw/zinc/55/30/50/1098553050.db2.gz WOYGPKIQNQFNFN-PIIMJCKOSA-N 2 1 314.473 3.457 20 0 DGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1CC[N@H+](C)C3)C2 ZINC001234425230 1098553051 /nfs/dbraw/zinc/55/30/51/1098553051.db2.gz WOYGPKIQNQFNFN-PIIMJCKOSA-N 2 1 314.473 3.457 20 0 DGADMP CCOCC[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001277856241 1098553966 /nfs/dbraw/zinc/55/39/66/1098553966.db2.gz JRRIOFWNRIZNSJ-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001177912137 1098645463 /nfs/dbraw/zinc/64/54/63/1098645463.db2.gz MNFSECAZTISWAX-UHFFFAOYSA-N 2 1 317.824 3.063 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2)[C@H]1c1cccs1 ZINC001177913357 1098646607 /nfs/dbraw/zinc/64/66/07/1098646607.db2.gz WYUFNCHQZNHPNH-RDJZCZTQSA-N 2 1 301.459 3.316 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2)[C@H]1c1cccs1 ZINC001177913357 1098646611 /nfs/dbraw/zinc/64/66/11/1098646611.db2.gz WYUFNCHQZNHPNH-RDJZCZTQSA-N 2 1 301.459 3.316 20 0 DGADMP CC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277888417 1098661593 /nfs/dbraw/zinc/66/15/93/1098661593.db2.gz JCFDCRVQKCSWFZ-CYBMUJFWSA-N 2 1 320.399 3.094 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001206317073 1098708674 /nfs/dbraw/zinc/70/86/74/1098708674.db2.gz CERSIBUDJUTMTL-OAHLLOKOSA-N 2 1 316.367 3.362 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1 ZINC001234978603 1098731826 /nfs/dbraw/zinc/73/18/26/1098731826.db2.gz AZDKLCGSMXIBMI-HDICACEKSA-N 2 1 308.425 3.439 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1 ZINC001234978603 1098731836 /nfs/dbraw/zinc/73/18/36/1098731836.db2.gz AZDKLCGSMXIBMI-HDICACEKSA-N 2 1 308.425 3.439 20 0 DGADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234983476 1098733793 /nfs/dbraw/zinc/73/37/93/1098733793.db2.gz ZOVNOFLPVFKRHG-HDICACEKSA-N 2 1 308.425 3.439 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234983384 1098734076 /nfs/dbraw/zinc/73/40/76/1098734076.db2.gz ZEVUJNVHMIJCOD-BGYRXZFFSA-N 2 1 321.468 3.071 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001234995095 1098737863 /nfs/dbraw/zinc/73/78/63/1098737863.db2.gz XLBCDSQCDXEKFH-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001234995095 1098737865 /nfs/dbraw/zinc/73/78/65/1098737865.db2.gz XLBCDSQCDXEKFH-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234994417 1098738023 /nfs/dbraw/zinc/73/80/23/1098738023.db2.gz SWAJFNJRTYPOHI-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234994417 1098738034 /nfs/dbraw/zinc/73/80/34/1098738034.db2.gz SWAJFNJRTYPOHI-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234995214 1098738747 /nfs/dbraw/zinc/73/87/47/1098738747.db2.gz YZOQDNKJFPRJIA-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP Fc1ccccc1-c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c[nH]1 ZINC001235000055 1098743639 /nfs/dbraw/zinc/74/36/39/1098743639.db2.gz NYSBETROQZORQT-IBGZPJMESA-N 2 1 313.420 3.396 20 0 DGADMP Fc1ccccc1-c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c[nH]1 ZINC001235000055 1098743649 /nfs/dbraw/zinc/74/36/49/1098743649.db2.gz NYSBETROQZORQT-IBGZPJMESA-N 2 1 313.420 3.396 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC001235001114 1098744294 /nfs/dbraw/zinc/74/42/94/1098744294.db2.gz SPJRLAZROONRGM-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC001235001114 1098744301 /nfs/dbraw/zinc/74/43/01/1098744301.db2.gz SPJRLAZROONRGM-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001235003050 1098745715 /nfs/dbraw/zinc/74/57/15/1098745715.db2.gz ZDBQPGZRXFEBAU-NRFANRHFSA-N 2 1 323.484 3.481 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235008227 1098748232 /nfs/dbraw/zinc/74/82/32/1098748232.db2.gz PFFYMAWCLYYJNL-NRFANRHFSA-N 2 1 324.468 3.350 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235008228 1098749023 /nfs/dbraw/zinc/74/90/23/1098749023.db2.gz PFFYMAWCLYYJNL-OAQYLSRUSA-N 2 1 324.468 3.350 20 0 DGADMP CC(C)c1cccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235022890 1098754348 /nfs/dbraw/zinc/75/43/48/1098754348.db2.gz RFEYFDALGSIGKR-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235022890 1098754358 /nfs/dbraw/zinc/75/43/58/1098754358.db2.gz RFEYFDALGSIGKR-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027206 1098756769 /nfs/dbraw/zinc/75/67/69/1098756769.db2.gz XGYKBBBVOWCNHW-HHXXYDBFSA-N 2 1 300.490 3.456 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032303 1098761367 /nfs/dbraw/zinc/76/13/67/1098761367.db2.gz JKELCQZEZLVBSM-OAHLLOKOSA-N 2 1 314.351 3.079 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032302 1098761390 /nfs/dbraw/zinc/76/13/90/1098761390.db2.gz JKELCQZEZLVBSM-HNNXBMFYSA-N 2 1 314.351 3.079 20 0 DGADMP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)c(F)c1 ZINC001235031818 1098762731 /nfs/dbraw/zinc/76/27/31/1098762731.db2.gz OURCOAYSCMSGHR-HNAYVOBHSA-N 2 1 314.379 3.426 20 0 DGADMP Fc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)c(F)c1 ZINC001235031818 1098762740 /nfs/dbraw/zinc/76/27/40/1098762740.db2.gz OURCOAYSCMSGHR-HNAYVOBHSA-N 2 1 314.379 3.426 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048686 1098774215 /nfs/dbraw/zinc/77/42/15/1098774215.db2.gz ZOQUIQOQAUFYBJ-LJQANCHMSA-N 2 1 318.461 3.120 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048686 1098774220 /nfs/dbraw/zinc/77/42/20/1098774220.db2.gz ZOQUIQOQAUFYBJ-LJQANCHMSA-N 2 1 318.461 3.120 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1C ZINC001235086910 1098790480 /nfs/dbraw/zinc/79/04/80/1098790480.db2.gz GBBDWILZHGTNPG-QGZVFWFLSA-N 2 1 308.416 3.433 20 0 DGADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1C(F)(F)F ZINC001235093036 1098795049 /nfs/dbraw/zinc/79/50/49/1098795049.db2.gz NXGVADQEVWCDBD-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP Fc1cc(Cl)cc(F)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093873 1098796097 /nfs/dbraw/zinc/79/60/97/1098796097.db2.gz UKFHKJICYRZXGN-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1cc(Cl)cc(F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093873 1098796111 /nfs/dbraw/zinc/79/61/11/1098796111.db2.gz UKFHKJICYRZXGN-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235109336 1098806780 /nfs/dbraw/zinc/80/67/80/1098806780.db2.gz BJSWITJODZXWRR-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235109336 1098806797 /nfs/dbraw/zinc/80/67/97/1098806797.db2.gz BJSWITJODZXWRR-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235112440 1098813045 /nfs/dbraw/zinc/81/30/45/1098813045.db2.gz OWJBCPMJCCNHDH-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235112440 1098813055 /nfs/dbraw/zinc/81/30/55/1098813055.db2.gz OWJBCPMJCCNHDH-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235112440 1098813067 /nfs/dbraw/zinc/81/30/67/1098813067.db2.gz OWJBCPMJCCNHDH-MSOLQXFVSA-N 2 1 323.440 3.257 20 0 DGADMP COc1c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc(F)c1F ZINC001235154089 1098838764 /nfs/dbraw/zinc/83/87/64/1098838764.db2.gz IDILQIKJDQJBCX-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1cc(F)cc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235153319 1098839454 /nfs/dbraw/zinc/83/94/54/1098839454.db2.gz RRKUEFXINMASGO-SFHVURJKSA-N 2 1 308.416 3.361 20 0 DGADMP Fc1cc(F)c(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235154566 1098840253 /nfs/dbraw/zinc/84/02/53/1098840253.db2.gz MPNROPATDNTEIO-INIZCTEOSA-N 2 1 312.379 3.458 20 0 DGADMP COc1ncc(Cl)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155254 1098841899 /nfs/dbraw/zinc/84/18/99/1098841899.db2.gz NPXUCHDETVGHMQ-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)cc1F ZINC001235156140 1098841917 /nfs/dbraw/zinc/84/19/17/1098841917.db2.gz MWZSQIXSGXAKNN-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178468287 1098842120 /nfs/dbraw/zinc/84/21/20/1098842120.db2.gz QZVAPKUHSBBQBD-GOSISDBHSA-N 2 1 323.525 3.092 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ncc1Cl ZINC001235155740 1098843107 /nfs/dbraw/zinc/84/31/07/1098843107.db2.gz MNZLHOHQFNTVPU-QGZVFWFLSA-N 2 1 307.869 3.398 20 0 DGADMP c1cnn(-c2ccccc2C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235159235 1098845534 /nfs/dbraw/zinc/84/55/34/1098845534.db2.gz VZAWUBJNHVBSJU-IBGZPJMESA-N 2 1 324.472 3.226 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235160863 1098846955 /nfs/dbraw/zinc/84/69/55/1098846955.db2.gz ZWDLYLDEAGATKW-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)o1 ZINC001235224898 1098895474 /nfs/dbraw/zinc/89/54/74/1098895474.db2.gz PDGYMSKBJXNDHN-ZLDLUXBVSA-N 2 1 316.367 3.165 20 0 DGADMP Cc1ccc([C@H](C)CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)o1 ZINC001235224898 1098895481 /nfs/dbraw/zinc/89/54/81/1098895481.db2.gz PDGYMSKBJXNDHN-ZLDLUXBVSA-N 2 1 316.367 3.165 20 0 DGADMP CC1=CC[C@H](CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C1(C)C ZINC001235225963 1098898575 /nfs/dbraw/zinc/89/85/75/1098898575.db2.gz WUJDRKMSZKEYFJ-YCPHGPKFSA-N 2 1 316.411 3.453 20 0 DGADMP COc1ncc(Cl)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235226754 1098900064 /nfs/dbraw/zinc/90/00/64/1098900064.db2.gz FDXYYSGONTWHOE-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP CCCCc1nc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c[nH]1 ZINC001235227344 1098901782 /nfs/dbraw/zinc/90/17/82/1098901782.db2.gz HZAUODDBMBXXGU-QGZVFWFLSA-N 2 1 304.482 3.106 20 0 DGADMP COc1nc(Cl)ccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235238501 1098912107 /nfs/dbraw/zinc/91/21/07/1098912107.db2.gz OVPAYCMZUYYDOY-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP Brc1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235254321 1098924342 /nfs/dbraw/zinc/92/43/42/1098924342.db2.gz IFBKSPLSSKZJHP-HOCLYGCPSA-N 2 1 323.278 3.066 20 0 DGADMP Brc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235253666 1098924530 /nfs/dbraw/zinc/92/45/30/1098924530.db2.gz CQSBWMXCXUQKQQ-GOEBONIOSA-N 2 1 323.278 3.066 20 0 DGADMP CCc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001235252686 1098924829 /nfs/dbraw/zinc/92/48/29/1098924829.db2.gz DEMRNOHRNFAOMQ-LJQANCHMSA-N 2 1 301.478 3.484 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001235252686 1098924836 /nfs/dbraw/zinc/92/48/36/1098924836.db2.gz DEMRNOHRNFAOMQ-LJQANCHMSA-N 2 1 301.478 3.484 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001235253069 1098925403 /nfs/dbraw/zinc/92/54/03/1098925403.db2.gz BSUJTGUKPVXMIS-IPMKNSEASA-N 2 1 320.521 3.338 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001235253069 1098925412 /nfs/dbraw/zinc/92/54/12/1098925412.db2.gz BSUJTGUKPVXMIS-IPMKNSEASA-N 2 1 320.521 3.338 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235271969 1098940324 /nfs/dbraw/zinc/94/03/24/1098940324.db2.gz PPNJISFFAXBARH-DZGCQCFKSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235271969 1098940332 /nfs/dbraw/zinc/94/03/32/1098940332.db2.gz PPNJISFFAXBARH-DZGCQCFKSA-N 2 1 314.351 3.077 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338768 1098962467 /nfs/dbraw/zinc/96/24/67/1098962467.db2.gz CGGJYHATYUFGRX-ZDUSSCGKSA-N 2 1 308.853 3.169 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235342547 1098966190 /nfs/dbraw/zinc/96/61/90/1098966190.db2.gz XSEHZFNGZJGEQV-LJQANCHMSA-N 2 1 322.452 3.404 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)[nH]1 ZINC001235351175 1098972015 /nfs/dbraw/zinc/97/20/15/1098972015.db2.gz OGOLMLZTXLKMJN-UYAOXDASSA-N 2 1 309.457 3.211 20 0 DGADMP c1csc(CC[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235350437 1098972913 /nfs/dbraw/zinc/97/29/13/1098972913.db2.gz ZOODORNYNQLJRR-RTBURBONSA-N 2 1 312.482 3.370 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1O ZINC001235356393 1098974373 /nfs/dbraw/zinc/97/43/73/1098974373.db2.gz WNESYOPLAADBQW-TZIWHRDSSA-N 2 1 322.452 3.280 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1O ZINC001235356393 1098974384 /nfs/dbraw/zinc/97/43/84/1098974384.db2.gz WNESYOPLAADBQW-TZIWHRDSSA-N 2 1 322.452 3.280 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c2ccccc12 ZINC001235369653 1098984597 /nfs/dbraw/zinc/98/45/97/1098984597.db2.gz SVPQIXOCPWSFIQ-DBXWQHBBSA-N 2 1 322.452 3.101 20 0 DGADMP c1cc2n(c1C[N@@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CCC2 ZINC001235374885 1098986023 /nfs/dbraw/zinc/98/60/23/1098986023.db2.gz IKCVOCYMZSWZIM-RTWAWAEBSA-N 2 1 321.468 3.013 20 0 DGADMP c1cc2n(c1C[N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CCC2 ZINC001235374885 1098986029 /nfs/dbraw/zinc/98/60/29/1098986029.db2.gz IKCVOCYMZSWZIM-RTWAWAEBSA-N 2 1 321.468 3.013 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1Cl ZINC001235402251 1098998754 /nfs/dbraw/zinc/99/87/54/1098998754.db2.gz WKOOZQXQPCDNIH-NVXWUHKLSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1Cl ZINC001235402251 1098998761 /nfs/dbraw/zinc/99/87/61/1098998761.db2.gz WKOOZQXQPCDNIH-NVXWUHKLSA-N 2 1 310.844 3.480 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235404987 1099001560 /nfs/dbraw/zinc/00/15/60/1099001560.db2.gz OMZWLFPUWVLPAY-RBUKOAKNSA-N 2 1 304.453 3.376 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c2occc21 ZINC001235410706 1099006097 /nfs/dbraw/zinc/00/60/97/1099006097.db2.gz YFRMXMLCSQEECU-NVXWUHKLSA-N 2 1 306.356 3.095 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c2occc21 ZINC001235410706 1099006105 /nfs/dbraw/zinc/00/61/05/1099006105.db2.gz YFRMXMLCSQEECU-NVXWUHKLSA-N 2 1 306.356 3.095 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OC(C)C ZINC001235409327 1099007985 /nfs/dbraw/zinc/00/79/85/1099007985.db2.gz WKYHZJCWKFICFR-OALUTQOASA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OC(C)C ZINC001235409327 1099007999 /nfs/dbraw/zinc/00/79/99/1099007999.db2.gz WKYHZJCWKFICFR-OALUTQOASA-N 2 1 320.452 3.306 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1csc3ccccc13)C2 ZINC001235409733 1099008077 /nfs/dbraw/zinc/00/80/77/1099008077.db2.gz WQMPFBZTMXFEEZ-IAGOWNOFSA-N 2 1 304.434 3.425 20 0 DGADMP CCOc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC001235420741 1099012971 /nfs/dbraw/zinc/01/29/71/1099012971.db2.gz AOGBECUGQHXUBS-MSOLQXFVSA-N 2 1 317.477 3.000 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235421034 1099013044 /nfs/dbraw/zinc/01/30/44/1099013044.db2.gz ARXFNATUIHAKRX-IAGOWNOFSA-N 2 1 317.477 3.080 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235421910 1099014281 /nfs/dbraw/zinc/01/42/81/1099014281.db2.gz CMTKZRNHZUNQMU-LSDHHAIUSA-N 2 1 324.415 3.185 20 0 DGADMP CCOc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC001235420745 1099014871 /nfs/dbraw/zinc/01/48/71/1099014871.db2.gz AOGBECUGQHXUBS-QZTJIDSGSA-N 2 1 317.477 3.000 20 0 DGADMP CSc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001235423850 1099015524 /nfs/dbraw/zinc/01/55/24/1099015524.db2.gz GITYEHRRIFQGOC-HZPDHXFCSA-N 2 1 319.518 3.324 20 0 DGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC001235425266 1099016393 /nfs/dbraw/zinc/01/63/93/1099016393.db2.gz IYIOZCKVWIVFAS-GJZGRUSLSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235423437 1099017820 /nfs/dbraw/zinc/01/78/20/1099017820.db2.gz GHYDXSLQUPVKTP-HZPDHXFCSA-N 2 1 312.461 3.083 20 0 DGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426112 1099020282 /nfs/dbraw/zinc/02/02/82/1099020282.db2.gz NHDKAWRIYDMPBH-QZTJIDSGSA-N 3 1 307.526 3.010 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429107 1099021841 /nfs/dbraw/zinc/02/18/41/1099021841.db2.gz XFAQVXFQLJBHRX-GJZGRUSLSA-N 2 1 308.416 3.485 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235430816 1099026691 /nfs/dbraw/zinc/02/66/91/1099026691.db2.gz YCXUKSBGEUQBAG-MOPGFXCFSA-N 2 1 302.462 3.045 20 0 DGADMP CC(C)Oc1cc(F)c(C[N@@H+](C)CC2CC[NH2+]CC2)c(F)c1 ZINC001235431700 1099027982 /nfs/dbraw/zinc/02/79/82/1099027982.db2.gz AURWOLYXOCNCQH-UHFFFAOYSA-N 2 1 312.404 3.183 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431947 1099028269 /nfs/dbraw/zinc/02/82/69/1099028269.db2.gz PORFEWUITZWPGH-JKSUJKDBSA-N 2 1 320.452 3.354 20 0 DGADMP COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431276 1099028431 /nfs/dbraw/zinc/02/84/31/1099028431.db2.gz ZGBPYDDSZIVNSG-IRXDYDNUSA-N 2 1 302.462 3.215 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431994 1099029729 /nfs/dbraw/zinc/02/97/29/1099029729.db2.gz QBURQPLYTIUOJA-CVEARBPZSA-N 2 1 320.452 3.354 20 0 DGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432384 1099029919 /nfs/dbraw/zinc/02/99/19/1099029919.db2.gz XFNWOPNBJKGQNB-CABCVRRESA-N 2 1 308.416 3.485 20 0 DGADMP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC001235433097 1099030302 /nfs/dbraw/zinc/03/03/02/1099030302.db2.gz GFPIFFROPOGYBD-UHFFFAOYSA-N 2 1 320.330 3.156 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+](C)CC3CC[NH2+]CC3)ccc2c1 ZINC001235433552 1099030670 /nfs/dbraw/zinc/03/06/70/1099030670.db2.gz LVHUMHDMGYGVQM-UHFFFAOYSA-N 2 1 311.473 3.337 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(OC(C)C)cc1C ZINC001235433160 1099032816 /nfs/dbraw/zinc/03/28/16/1099032816.db2.gz OVFSRXSLZDANFS-UHFFFAOYSA-N 2 1 307.482 3.341 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(OC(C)C)cc1C ZINC001235433160 1099032828 /nfs/dbraw/zinc/03/28/28/1099032828.db2.gz OVFSRXSLZDANFS-UHFFFAOYSA-N 2 1 307.482 3.341 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH2+]CC1 ZINC001235466002 1099051076 /nfs/dbraw/zinc/05/10/76/1099051076.db2.gz NOBVOXHIZJVVPR-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH2+]CC1 ZINC001235466002 1099051089 /nfs/dbraw/zinc/05/10/89/1099051089.db2.gz NOBVOXHIZJVVPR-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[N@H+](Cc1cccn1C(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001235630989 1099103685 /nfs/dbraw/zinc/10/36/85/1099103685.db2.gz RPNKQWSEJBMDJT-UHFFFAOYSA-N 2 1 321.465 3.045 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235673800 1099116086 /nfs/dbraw/zinc/11/60/86/1099116086.db2.gz HSWDTDZSAQMHMO-HXUWFJFHSA-N 2 1 322.452 3.294 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235672446 1099116171 /nfs/dbraw/zinc/11/61/71/1099116171.db2.gz DXOYDBLGPXUTCQ-LBPRGKRZSA-N 2 1 302.340 3.064 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235672711 1099116637 /nfs/dbraw/zinc/11/66/37/1099116637.db2.gz FPDNNDIIKNCSCA-NXHRZFHOSA-N 2 1 322.443 3.432 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235672711 1099116642 /nfs/dbraw/zinc/11/66/42/1099116642.db2.gz FPDNNDIIKNCSCA-NXHRZFHOSA-N 2 1 322.443 3.432 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2[C@@H](C)CNCC2(F)F)cc1 ZINC001235677420 1099120172 /nfs/dbraw/zinc/12/01/72/1099120172.db2.gz GYSKIQOLQGMDTR-JQFCIGGWSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677420 1099120178 /nfs/dbraw/zinc/12/01/78/1099120178.db2.gz GYSKIQOLQGMDTR-JQFCIGGWSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677420 1099120181 /nfs/dbraw/zinc/12/01/81/1099120181.db2.gz GYSKIQOLQGMDTR-JQFCIGGWSA-N 2 1 324.415 3.323 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001235678657 1099122650 /nfs/dbraw/zinc/12/26/50/1099122650.db2.gz NZUYDDCOLFYNSB-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1C[NH2+]C2 ZINC001235679914 1099124403 /nfs/dbraw/zinc/12/44/03/1099124403.db2.gz SFBKTPKYDTZNLD-HXUWFJFHSA-N 3 1 313.489 3.130 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1C[NH2+]C2 ZINC001235679914 1099124405 /nfs/dbraw/zinc/12/44/05/1099124405.db2.gz SFBKTPKYDTZNLD-HXUWFJFHSA-N 3 1 313.489 3.130 20 0 DGADMP CCC[C@H]1CCCC[N@H+]1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235693900 1099132090 /nfs/dbraw/zinc/13/20/90/1099132090.db2.gz JIVGPZGAYKTZGA-FQEVSTJZSA-N 2 1 315.505 3.246 20 0 DGADMP CCC[C@@H]1CCCC[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235694755 1099133025 /nfs/dbraw/zinc/13/30/25/1099133025.db2.gz SQSSDMDNWWOYJX-GOSISDBHSA-N 2 1 301.478 3.251 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235714113 1099141895 /nfs/dbraw/zinc/14/18/95/1099141895.db2.gz RULIVWQZAWRULM-UHFFFAOYSA-N 2 1 302.462 3.276 20 0 DGADMP Cc1cc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235714113 1099141901 /nfs/dbraw/zinc/14/19/01/1099141901.db2.gz RULIVWQZAWRULM-UHFFFAOYSA-N 2 1 302.462 3.276 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(F)c(F)c(F)c1F ZINC001235717096 1099143155 /nfs/dbraw/zinc/14/31/55/1099143155.db2.gz CYMLNESOSBDNRK-UHFFFAOYSA-N 2 1 304.331 3.065 20 0 DGADMP COc1ccc(Cl)c(C[N@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235717598 1099143957 /nfs/dbraw/zinc/14/39/57/1099143957.db2.gz VUCDNYBMHPFSPC-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP COc1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235717598 1099143962 /nfs/dbraw/zinc/14/39/62/1099143962.db2.gz VUCDNYBMHPFSPC-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235760620 1099168969 /nfs/dbraw/zinc/16/89/69/1099168969.db2.gz GNRLBQUNEZGKMR-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235760620 1099168972 /nfs/dbraw/zinc/16/89/72/1099168972.db2.gz GNRLBQUNEZGKMR-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235762994 1099170102 /nfs/dbraw/zinc/17/01/02/1099170102.db2.gz ZJRZFRTVNWZLST-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CC[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235762994 1099170105 /nfs/dbraw/zinc/17/01/05/1099170105.db2.gz ZJRZFRTVNWZLST-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CC(C)(CO)C[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277968849 1099179967 /nfs/dbraw/zinc/17/99/67/1099179967.db2.gz ZYCPCXIAQMIFDP-IBGZPJMESA-N 2 1 308.510 3.126 20 0 DGADMP CC(C)(CO)C[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277968849 1099179970 /nfs/dbraw/zinc/17/99/70/1099179970.db2.gz ZYCPCXIAQMIFDP-IBGZPJMESA-N 2 1 308.510 3.126 20 0 DGADMP COCCC[N@H+](Cc1cccc2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001235808128 1099189224 /nfs/dbraw/zinc/18/92/24/1099189224.db2.gz CGWBNUXJQHLUJW-KRWDZBQOSA-N 2 1 302.418 3.023 20 0 DGADMP COCCC[N@@H+](Cc1cccc2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001235808128 1099189231 /nfs/dbraw/zinc/18/92/31/1099189231.db2.gz CGWBNUXJQHLUJW-KRWDZBQOSA-N 2 1 302.418 3.023 20 0 DGADMP COCCC[N@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001235810067 1099191417 /nfs/dbraw/zinc/19/14/17/1099191417.db2.gz MKLQTGSOWYCEEI-INIZCTEOSA-N 2 1 318.486 3.492 20 0 DGADMP COCCC[N@@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001235810067 1099191419 /nfs/dbraw/zinc/19/14/19/1099191419.db2.gz MKLQTGSOWYCEEI-INIZCTEOSA-N 2 1 318.486 3.492 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001235841721 1099204841 /nfs/dbraw/zinc/20/48/41/1099204841.db2.gz IDAAVRCBOMUODA-LLVKDONJSA-N 2 1 317.658 3.144 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001235841721 1099204851 /nfs/dbraw/zinc/20/48/51/1099204851.db2.gz IDAAVRCBOMUODA-LLVKDONJSA-N 2 1 317.658 3.144 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235842009 1099204701 /nfs/dbraw/zinc/20/47/01/1099204701.db2.gz LTRIGXOJXVVJLA-SNVBAGLBSA-N 2 1 306.759 3.400 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235842009 1099204706 /nfs/dbraw/zinc/20/47/06/1099204706.db2.gz LTRIGXOJXVVJLA-SNVBAGLBSA-N 2 1 306.759 3.400 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)s2)cc1 ZINC001235841417 1099204810 /nfs/dbraw/zinc/20/48/10/1099204810.db2.gz FKWDZYHLOIXZKR-AWEZNQCLSA-N 2 1 316.470 3.465 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792528 1099205006 /nfs/dbraw/zinc/20/50/06/1099205006.db2.gz QPSXNGGCNQWVSM-ROUUACIJSA-N 2 1 323.525 3.070 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)s2)cc1 ZINC001235841419 1099205263 /nfs/dbraw/zinc/20/52/63/1099205263.db2.gz FKWDZYHLOIXZKR-CQSZACIVSA-N 2 1 316.470 3.465 20 0 DGADMP C[N@H+](Cc1ccc(COc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842767 1099206176 /nfs/dbraw/zinc/20/61/76/1099206176.db2.gz RDGSCKKRFJCQAQ-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)CO1 ZINC001235865131 1099228030 /nfs/dbraw/zinc/22/80/30/1099228030.db2.gz YYLATASWIHFHCA-SFHVURJKSA-N 2 1 320.452 3.195 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH2+][C@@H](CC(C)C)C2)cc1 ZINC001235880636 1099230402 /nfs/dbraw/zinc/23/04/02/1099230402.db2.gz GANOXWFBROTFAD-SFHVURJKSA-N 2 1 312.461 3.001 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001235892067 1099235965 /nfs/dbraw/zinc/23/59/65/1099235965.db2.gz LIJKSQAXQWGULV-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001235892067 1099235973 /nfs/dbraw/zinc/23/59/73/1099235973.db2.gz LIJKSQAXQWGULV-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP Cc1cc(Br)sc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925632 1099263783 /nfs/dbraw/zinc/26/37/83/1099263783.db2.gz NAZFPBNTECOHGT-JTQLQIEISA-N 2 1 303.269 3.132 20 0 DGADMP Cc1cc(Br)sc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925632 1099263794 /nfs/dbraw/zinc/26/37/94/1099263794.db2.gz NAZFPBNTECOHGT-JTQLQIEISA-N 2 1 303.269 3.132 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929089 1099265687 /nfs/dbraw/zinc/26/56/87/1099265687.db2.gz HQHSGZGAWHOBEV-ICSRJNTNSA-N 2 1 322.452 3.307 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235934134 1099268068 /nfs/dbraw/zinc/26/80/68/1099268068.db2.gz BIHZCLYXRZPXLB-STQMWFEESA-N 2 1 316.392 3.340 20 0 DGADMP COCCC[N@@H+](CCCc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001235936050 1099269292 /nfs/dbraw/zinc/26/92/92/1099269292.db2.gz ORJAFMCVRIGTGY-UHFFFAOYSA-N 2 1 324.896 3.363 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C)c1OC(C)C ZINC001235935466 1099269741 /nfs/dbraw/zinc/26/97/41/1099269741.db2.gz CQHBIIGPRFAQOC-MSOLQXFVSA-N 2 1 302.462 3.132 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)ccc21 ZINC001235935964 1099270137 /nfs/dbraw/zinc/27/01/37/1099270137.db2.gz FSYZDWDGMQFSAK-IAGOWNOFSA-N 2 1 319.452 3.373 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C)c1OC(C)C ZINC001235935468 1099271147 /nfs/dbraw/zinc/27/11/47/1099271147.db2.gz CQHBIIGPRFAQOC-ROUUACIJSA-N 2 1 302.462 3.132 20 0 DGADMP COCCC[N@H+](Cc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC001235939802 1099274189 /nfs/dbraw/zinc/27/41/89/1099274189.db2.gz KFYWCUBOTCTMIA-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCCC[N@@H+](Cc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC001235939802 1099274197 /nfs/dbraw/zinc/27/41/97/1099274197.db2.gz KFYWCUBOTCTMIA-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235941649 1099276834 /nfs/dbraw/zinc/27/68/34/1099276834.db2.gz WOJQOZOASCJKIR-PKOBYXMFSA-N 2 1 322.452 3.404 20 0 DGADMP COCC[N@@H+](Cc1c(C)c(C)c(C)c(C)c1C)C1CC[NH2+]CC1 ZINC001235941752 1099277086 /nfs/dbraw/zinc/27/70/86/1099277086.db2.gz ABOIXMPTTIQKIO-UHFFFAOYSA-N 2 1 318.505 3.429 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235941646 1099277175 /nfs/dbraw/zinc/27/71/75/1099277175.db2.gz WOJQOZOASCJKIR-HKUYNNGSSA-N 2 1 322.452 3.404 20 0 DGADMP COCC[N@@H+](CCc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC001235947146 1099278348 /nfs/dbraw/zinc/27/83/48/1099278348.db2.gz XGAINHLKMPXBQO-UHFFFAOYSA-N 2 1 304.478 3.053 20 0 DGADMP COCC[N@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001235945981 1099278773 /nfs/dbraw/zinc/27/87/73/1099278773.db2.gz HNRZOERNUNKRLD-UHFFFAOYSA-N 2 1 317.260 3.194 20 0 DGADMP COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001235945981 1099278781 /nfs/dbraw/zinc/27/87/81/1099278781.db2.gz HNRZOERNUNKRLD-UHFFFAOYSA-N 2 1 317.260 3.194 20 0 DGADMP COCC[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001235945258 1099279176 /nfs/dbraw/zinc/27/91/76/1099279176.db2.gz COOFCTAMKNBDQT-UHFFFAOYSA-N 2 1 304.478 3.185 20 0 DGADMP COCC[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH2+]CC1 ZINC001235945214 1099279433 /nfs/dbraw/zinc/27/94/33/1099279433.db2.gz BSKLIMYBEPGSSN-UHFFFAOYSA-N 2 1 304.478 3.055 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958042 1099289204 /nfs/dbraw/zinc/28/92/04/1099289204.db2.gz CUWPVMUHJWVBDB-HGKCTWBKSA-N 2 1 302.462 3.260 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235956950 1099289574 /nfs/dbraw/zinc/28/95/74/1099289574.db2.gz ISAMLNGUCSDFQA-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1 ZINC001235959058 1099291341 /nfs/dbraw/zinc/29/13/41/1099291341.db2.gz QVXMLLMEJKNOIB-HXUWFJFHSA-N 2 1 310.441 3.327 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(Oc3ccc(O)cc3)c1)C2 ZINC001235958636 1099292599 /nfs/dbraw/zinc/29/25/99/1099292599.db2.gz ODWMFHDPLVLYPV-CWPLJXCYSA-N 2 1 324.424 3.354 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235962689 1099295079 /nfs/dbraw/zinc/29/50/79/1099295079.db2.gz OZPBDYFQWOSKOI-CZUORRHYSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235962689 1099295085 /nfs/dbraw/zinc/29/50/85/1099295085.db2.gz OZPBDYFQWOSKOI-CZUORRHYSA-N 2 1 312.404 3.008 20 0 DGADMP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)CC1CCCCC1 ZINC001235961022 1099295104 /nfs/dbraw/zinc/29/51/04/1099295104.db2.gz TXWXYLPNLDWKFV-UHFFFAOYSA-N 2 1 301.478 3.108 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235981026 1099308575 /nfs/dbraw/zinc/30/85/75/1099308575.db2.gz OUGBFKUITHSINR-AZUAARDMSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235981026 1099308582 /nfs/dbraw/zinc/30/85/82/1099308582.db2.gz OUGBFKUITHSINR-AZUAARDMSA-N 2 1 308.425 3.285 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cn(C)nc1C1CCCC1 ZINC001180099359 1099313915 /nfs/dbraw/zinc/31/39/15/1099313915.db2.gz YFRCQBQYCQJOGI-SFHVURJKSA-N 2 1 318.509 3.384 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991767 1099315293 /nfs/dbraw/zinc/31/52/93/1099315293.db2.gz HRCFTXBNRUZVGR-FEWQNLEASA-N 2 1 304.400 3.081 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991767 1099315305 /nfs/dbraw/zinc/31/53/05/1099315305.db2.gz HRCFTXBNRUZVGR-FEWQNLEASA-N 2 1 304.400 3.081 20 0 DGADMP FC1CC2(C1)CCC[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235991642 1099316131 /nfs/dbraw/zinc/31/61/31/1099316131.db2.gz HANPHRQOODIUOD-UHFFFAOYSA-N 2 1 302.437 3.437 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001180123630 1099321372 /nfs/dbraw/zinc/32/13/72/1099321372.db2.gz CHRHSPRIPRYSIB-UHFFFAOYSA-N 3 1 309.542 3.162 20 0 DGADMP C[N@@H+](Cc1cnc2n1CC[NH2+]CC2)C1CCC(C(C)(C)C)CC1 ZINC001236008394 1099330003 /nfs/dbraw/zinc/33/00/03/1099330003.db2.gz KGTMUGIYLNZHCK-UHFFFAOYSA-N 2 1 318.509 3.066 20 0 DGADMP c1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012019 1099335192 /nfs/dbraw/zinc/33/51/92/1099335192.db2.gz FTDDZWHISAVJKP-NQIIRXRSSA-N 2 1 317.436 3.141 20 0 DGADMP COc1cccc(CCC[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001236040374 1099343276 /nfs/dbraw/zinc/34/32/76/1099343276.db2.gz BULXWIPOYQOYMQ-UHFFFAOYSA-N 2 1 324.468 3.406 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236041617 1099343393 /nfs/dbraw/zinc/34/33/93/1099343393.db2.gz JWVYXDJFQFQVEA-DOMZBBRYSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236041617 1099343406 /nfs/dbraw/zinc/34/34/06/1099343406.db2.gz JWVYXDJFQFQVEA-DOMZBBRYSA-N 2 1 300.368 3.138 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCC[C@@H](F)C2)cc1 ZINC001204264079 1099366056 /nfs/dbraw/zinc/36/60/56/1099366056.db2.gz RCYWLKPWWJDZEQ-QGZVFWFLSA-N 2 1 308.441 3.341 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)c2ccccc12 ZINC001236077737 1099375673 /nfs/dbraw/zinc/37/56/73/1099375673.db2.gz BCGUJSAVXQCUST-IBGZPJMESA-N 2 1 323.484 3.003 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236080461 1099377742 /nfs/dbraw/zinc/37/77/42/1099377742.db2.gz SXGGKTYFSBSPRQ-HKUYNNGSSA-N 2 1 307.526 3.114 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236100257 1099388238 /nfs/dbraw/zinc/38/82/38/1099388238.db2.gz BLZOLLWAIHLEEC-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236100670 1099389388 /nfs/dbraw/zinc/38/93/88/1099389388.db2.gz GCZNPBSHVCILEI-UHFFFAOYSA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001180369587 1099398346 /nfs/dbraw/zinc/39/83/46/1099398346.db2.gz MSOQLZMQPDVOCG-UHFFFAOYSA-N 2 1 313.530 3.029 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236113373 1099402071 /nfs/dbraw/zinc/40/20/71/1099402071.db2.gz SWUSQICYUANMGY-MRXNPFEDSA-N 2 1 324.468 3.404 20 0 DGADMP C[N@H+](CCCC[NH3+])Cc1c(F)cc(Cl)cc1Br ZINC001236140992 1099426312 /nfs/dbraw/zinc/42/63/12/1099426312.db2.gz CGFHLNYGEXKFQO-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1c(F)cc(Cl)cc1Br ZINC001236140992 1099426319 /nfs/dbraw/zinc/42/63/19/1099426319.db2.gz CGFHLNYGEXKFQO-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP Clc1ccc([C@@]23C[C@@H]2C[N@H+](C[C@H]2CC[NH2+]C2)C3)cc1Cl ZINC001236155877 1099435777 /nfs/dbraw/zinc/43/57/77/1099435777.db2.gz RLPMQWAZCRTTFK-GHJWDPDVSA-N 2 1 311.256 3.176 20 0 DGADMP Clc1ccc([C@@]23C[C@@H]2C[N@@H+](C[C@H]2CC[NH2+]C2)C3)cc1Cl ZINC001236155877 1099435781 /nfs/dbraw/zinc/43/57/81/1099435781.db2.gz RLPMQWAZCRTTFK-GHJWDPDVSA-N 2 1 311.256 3.176 20 0 DGADMP CCC[C@H]1CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001236176882 1099447832 /nfs/dbraw/zinc/44/78/32/1099447832.db2.gz LSSJZCCOKNKYTN-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP Clc1ccc([C@@H]2COCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001236182956 1099453445 /nfs/dbraw/zinc/45/34/45/1099453445.db2.gz SRXJECPBWASXBA-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccc([C@@H]2COCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001236182956 1099453449 /nfs/dbraw/zinc/45/34/49/1099453449.db2.gz SRXJECPBWASXBA-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP CCC[N@H+](Cc1cc(OC)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001236184998 1099455446 /nfs/dbraw/zinc/45/54/46/1099455446.db2.gz QVNLSXJBWPYLGS-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP CCC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001236184998 1099455450 /nfs/dbraw/zinc/45/54/50/1099455450.db2.gz QVNLSXJBWPYLGS-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236219303 1099475917 /nfs/dbraw/zinc/47/59/17/1099475917.db2.gz VBRZXJCHLXDHBH-ZWKOTPCHSA-N 2 1 320.477 3.460 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236219303 1099475923 /nfs/dbraw/zinc/47/59/23/1099475923.db2.gz VBRZXJCHLXDHBH-ZWKOTPCHSA-N 2 1 320.477 3.460 20 0 DGADMP Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC001236219434 1099477181 /nfs/dbraw/zinc/47/71/81/1099477181.db2.gz WEZWCIBKXBBSFD-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC001236219434 1099477183 /nfs/dbraw/zinc/47/71/83/1099477183.db2.gz WEZWCIBKXBBSFD-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](CCc1cccc(Br)c1)C1(C)CC[NH2+]CC1 ZINC001236225073 1099482234 /nfs/dbraw/zinc/48/22/34/1099482234.db2.gz ZFXCBJRKTMOIQK-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP C[N@@H+](Cc1cccn1-c1ccccc1F)C1(C)CC[NH2+]CC1 ZINC001236226989 1099484510 /nfs/dbraw/zinc/48/45/10/1099484510.db2.gz WFTWQLJFROFDII-UHFFFAOYSA-N 2 1 301.409 3.190 20 0 DGADMP Nc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1F ZINC001236300442 1099523525 /nfs/dbraw/zinc/52/35/25/1099523525.db2.gz CCAKOJJZPCLTPL-UHFFFAOYSA-N 2 1 313.420 3.162 20 0 DGADMP Nc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1F ZINC001236300442 1099523530 /nfs/dbraw/zinc/52/35/30/1099523530.db2.gz CCAKOJJZPCLTPL-UHFFFAOYSA-N 2 1 313.420 3.162 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001236307946 1099526837 /nfs/dbraw/zinc/52/68/37/1099526837.db2.gz QAPGBLVVFLEPLQ-QZTJIDSGSA-N 2 1 313.489 3.108 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236314355 1099528180 /nfs/dbraw/zinc/52/81/80/1099528180.db2.gz BYRWMXDGUKWVJY-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP Fc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236321841 1099536416 /nfs/dbraw/zinc/53/64/16/1099536416.db2.gz NOQGVSYPSLVMFW-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369625 1099554654 /nfs/dbraw/zinc/55/46/54/1099554654.db2.gz BATPONYMLVZITE-GOSISDBHSA-N 3 1 321.553 3.353 20 0 DGADMP C[NH+](C)CC1(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369625 1099554667 /nfs/dbraw/zinc/55/46/67/1099554667.db2.gz BATPONYMLVZITE-GOSISDBHSA-N 2 1 321.553 3.353 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(C)n1 ZINC001236374515 1099559611 /nfs/dbraw/zinc/55/96/11/1099559611.db2.gz DJUQJAJODFRDQO-QGZVFWFLSA-N 2 1 301.478 3.443 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236409802 1099583604 /nfs/dbraw/zinc/58/36/04/1099583604.db2.gz WWZZZOHTUPCVJS-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236409802 1099583613 /nfs/dbraw/zinc/58/36/13/1099583613.db2.gz WWZZZOHTUPCVJS-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411831 1099585403 /nfs/dbraw/zinc/58/54/03/1099585403.db2.gz HFRUXVDNUMACDS-AERCQKQUSA-N 2 1 322.452 3.224 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411831 1099585413 /nfs/dbraw/zinc/58/54/13/1099585413.db2.gz HFRUXVDNUMACDS-AERCQKQUSA-N 2 1 322.452 3.224 20 0 DGADMP COc1cc(F)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457965 1099620634 /nfs/dbraw/zinc/62/06/34/1099620634.db2.gz SBJRATCTAHFRSL-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CCOCC[N@@H+](CCCc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001236459901 1099623367 /nfs/dbraw/zinc/62/33/67/1099623367.db2.gz HJCQSMQSVJLQRC-UHFFFAOYSA-N 2 1 324.896 3.363 20 0 DGADMP CCOCC[N@H+](Cc1ccc(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001236460180 1099625002 /nfs/dbraw/zinc/62/50/02/1099625002.db2.gz BXECMHDFFKXNTM-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001236460180 1099625007 /nfs/dbraw/zinc/62/50/07/1099625007.db2.gz BXECMHDFFKXNTM-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CC[C@@H](C)C[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001236517088 1099655425 /nfs/dbraw/zinc/65/54/25/1099655425.db2.gz PCBPMZAFLKNIFL-CQSZACIVSA-N 2 1 308.441 3.434 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN(CC[NH3+])Cc2ccccc2)cc1 ZINC001236521313 1099657630 /nfs/dbraw/zinc/65/76/30/1099657630.db2.gz KVNKREBIROWYGE-UHFFFAOYSA-N 2 1 320.440 3.142 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3c2OCO3)CC2CCC2)CC1 ZINC001236541652 1099672453 /nfs/dbraw/zinc/67/24/53/1099672453.db2.gz IFANFRXNPXPCRS-QAQDUYKDSA-N 2 1 316.445 3.287 20 0 DGADMP CCOc1ncccc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541765 1099672552 /nfs/dbraw/zinc/67/25/52/1099672552.db2.gz SXCVISLDSFODQN-IYARVYRRSA-N 2 1 317.477 3.352 20 0 DGADMP Nc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236540968 1099673239 /nfs/dbraw/zinc/67/32/39/1099673239.db2.gz ORPYZUWJMIZPOV-WKILWMFISA-N 2 1 305.441 3.280 20 0 DGADMP COc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236552186 1099678000 /nfs/dbraw/zinc/67/80/00/1099678000.db2.gz OCJGBEAGPLVVKH-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC001236565444 1099680396 /nfs/dbraw/zinc/68/03/96/1099680396.db2.gz GQDRKXUMUMOBPX-LNLFQRSKSA-N 3 1 307.526 3.423 20 0 DGADMP Nc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236573831 1099685152 /nfs/dbraw/zinc/68/51/52/1099685152.db2.gz GINZTSACLQPFTR-KOMQPUFPSA-N 2 1 305.441 3.422 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC001236604870 1099698881 /nfs/dbraw/zinc/69/88/81/1099698881.db2.gz IHQQHZWIAAVEAI-GOSISDBHSA-N 2 1 320.502 3.175 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC001236623895 1099711746 /nfs/dbraw/zinc/71/17/46/1099711746.db2.gz VMANHNMNKNBTFT-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC001236623895 1099711755 /nfs/dbraw/zinc/71/17/55/1099711755.db2.gz VMANHNMNKNBTFT-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP Cc1cccc(C[N@@H+](Cc2ccc(N)nc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236728528 1099760986 /nfs/dbraw/zinc/76/09/86/1099760986.db2.gz APOBTPGGMUWMKD-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc3ccoc31)CC2 ZINC001236731914 1099763919 /nfs/dbraw/zinc/76/39/19/1099763919.db2.gz RIQFPFJPQYKUFV-UHFFFAOYSA-N 2 1 313.401 3.063 20 0 DGADMP Nc1cccnc1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236756387 1099772741 /nfs/dbraw/zinc/77/27/41/1099772741.db2.gz VQBZLKXWJWYKFW-QAQDUYKDSA-N 2 1 316.493 3.316 20 0 DGADMP COc1cc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(F)cn1 ZINC001236778929 1099781766 /nfs/dbraw/zinc/78/17/66/1099781766.db2.gz CFEPUYCXSYEAAA-SHTZXODSSA-N 2 1 323.456 3.347 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236820401 1099806597 /nfs/dbraw/zinc/80/65/97/1099806597.db2.gz RVIRKXGOTIFMJI-APHBMKBZSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236820401 1099806604 /nfs/dbraw/zinc/80/66/04/1099806604.db2.gz RVIRKXGOTIFMJI-APHBMKBZSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001236817207 1099807045 /nfs/dbraw/zinc/80/70/45/1099807045.db2.gz AIBCJDVYZGYWJS-OKYOBFRVSA-N 2 1 320.521 3.323 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]12 ZINC001236826791 1099810393 /nfs/dbraw/zinc/81/03/93/1099810393.db2.gz CVSQEOFERRPGFD-ORYQWCPZSA-N 2 1 304.437 3.427 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C[C@H]12 ZINC001236826699 1099811576 /nfs/dbraw/zinc/81/15/76/1099811576.db2.gz CURMOLIHKBLEOE-KWCYVHTRSA-N 2 1 316.392 3.468 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236831967 1099817779 /nfs/dbraw/zinc/81/77/79/1099817779.db2.gz SKCYWPRRCROAJG-CWRNSKLLSA-N 2 1 323.278 3.181 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236831967 1099817787 /nfs/dbraw/zinc/81/77/87/1099817787.db2.gz SKCYWPRRCROAJG-CWRNSKLLSA-N 2 1 323.278 3.181 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C(C)C ZINC001236831986 1099818000 /nfs/dbraw/zinc/81/80/00/1099818000.db2.gz SLYLGJVUKLHUTB-WBAXXEDZSA-N 2 1 302.462 3.296 20 0 DGADMP CCC[N@H+](Cc1cn(C)c2ccc(OC)cc12)C[C@H]1CC[NH2+]C1 ZINC001236833475 1099820959 /nfs/dbraw/zinc/82/09/59/1099820959.db2.gz BYQZBVDXMJXTAG-HNNXBMFYSA-N 2 1 315.461 3.008 20 0 DGADMP CCC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CC[NH2+]C1 ZINC001236835935 1099824091 /nfs/dbraw/zinc/82/40/91/1099824091.db2.gz QWLMPBQKVCSECP-OAHLLOKOSA-N 2 1 305.466 3.080 20 0 DGADMP CCC[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CC[NH2+]C1 ZINC001236835935 1099824107 /nfs/dbraw/zinc/82/41/07/1099824107.db2.gz QWLMPBQKVCSECP-OAHLLOKOSA-N 2 1 305.466 3.080 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236844088 1099830042 /nfs/dbraw/zinc/83/00/42/1099830042.db2.gz SQXKYEOHTAIYRE-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP CCCOc1cc(F)ccc1C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236844088 1099830048 /nfs/dbraw/zinc/83/00/48/1099830048.db2.gz SQXKYEOHTAIYRE-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP C[C@H]1CCCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236887313 1099850041 /nfs/dbraw/zinc/85/00/41/1099850041.db2.gz JTNSZIZJUYLKLL-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)CC1CCCCC1 ZINC001236889537 1099853293 /nfs/dbraw/zinc/85/32/93/1099853293.db2.gz IKIVDEBEBBKGOW-UHFFFAOYSA-N 2 1 315.505 3.451 20 0 DGADMP CC[C@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236890931 1099854356 /nfs/dbraw/zinc/85/43/56/1099854356.db2.gz TZJSCAAGXYPEMZ-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236892586 1099856347 /nfs/dbraw/zinc/85/63/47/1099856347.db2.gz GLNONTQETRBXPK-IBGZPJMESA-N 2 1 301.478 3.059 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC001236899429 1099860600 /nfs/dbraw/zinc/86/06/00/1099860600.db2.gz RYZIMBLABCBJPR-IAGOWNOFSA-N 2 1 301.478 3.059 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236913086 1099873233 /nfs/dbraw/zinc/87/32/33/1099873233.db2.gz ZWHAQLWSECILFW-INIZCTEOSA-N 2 1 319.836 3.261 20 0 DGADMP CC(C)[N@@H+](CCCO)Cc1ccc(-n2ccnc2)cc1Cl ZINC001236923848 1099879274 /nfs/dbraw/zinc/87/92/74/1099879274.db2.gz VZEDDEBCKVXTRL-UHFFFAOYSA-N 2 1 307.825 3.119 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001278029901 1099881756 /nfs/dbraw/zinc/88/17/56/1099881756.db2.gz XMDADCWWMXVJNV-QCLGFWRNSA-N 2 1 323.525 3.052 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001278029901 1099881763 /nfs/dbraw/zinc/88/17/63/1099881763.db2.gz XMDADCWWMXVJNV-QCLGFWRNSA-N 2 1 323.525 3.052 20 0 DGADMP CN1CCC([N@H+](C)Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236986754 1099908084 /nfs/dbraw/zinc/90/80/84/1099908084.db2.gz XRLFZRUATFODBP-UHFFFAOYSA-N 2 1 313.420 3.414 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236986754 1099908098 /nfs/dbraw/zinc/90/80/98/1099908098.db2.gz XRLFZRUATFODBP-UHFFFAOYSA-N 2 1 313.420 3.414 20 0 DGADMP C[C@@]1(C[NH3+])CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001237059254 1099949491 /nfs/dbraw/zinc/94/94/91/1099949491.db2.gz SBGGLDQZXPWJOV-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001237059859 1099949555 /nfs/dbraw/zinc/94/95/55/1099949555.db2.gz WKPWVBUIQATRHR-AWEZNQCLSA-N 2 1 302.340 3.146 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237058113 1099951166 /nfs/dbraw/zinc/95/11/66/1099951166.db2.gz PJEYORAQWSUABI-HNNXBMFYSA-N 2 1 316.367 3.454 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)cc4ccccc43)C2)CC1 ZINC001237073620 1099954608 /nfs/dbraw/zinc/95/46/08/1099954608.db2.gz JUISVVLCRFPJPQ-UHFFFAOYSA-N 2 1 310.441 3.463 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237097077 1099967829 /nfs/dbraw/zinc/96/78/29/1099967829.db2.gz WRJATDVQLRNGIP-UHFFFAOYSA-N 2 1 319.468 3.344 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237097077 1099967842 /nfs/dbraw/zinc/96/78/42/1099967842.db2.gz WRJATDVQLRNGIP-UHFFFAOYSA-N 2 1 319.468 3.344 20 0 DGADMP C[C@@H](C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC001237143314 1099994617 /nfs/dbraw/zinc/99/46/17/1099994617.db2.gz DESOYDNKKHBPSM-QFBILLFUSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H](C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC001237143314 1099994631 /nfs/dbraw/zinc/99/46/31/1099994631.db2.gz DESOYDNKKHBPSM-QFBILLFUSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237154815 1100003478 /nfs/dbraw/zinc/00/34/78/1100003478.db2.gz NAHRBRSSLXRNOL-MRXNPFEDSA-N 2 1 313.445 3.283 20 0 DGADMP COc1ccc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237154815 1100003485 /nfs/dbraw/zinc/00/34/85/1100003485.db2.gz NAHRBRSSLXRNOL-MRXNPFEDSA-N 2 1 313.445 3.283 20 0 DGADMP CCN1CCc2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc21 ZINC001237162997 1100010344 /nfs/dbraw/zinc/01/03/44/1100010344.db2.gz ZXXOEXJOKSQABS-LJQANCHMSA-N 2 1 313.489 3.176 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc21 ZINC001237162997 1100010347 /nfs/dbraw/zinc/01/03/47/1100010347.db2.gz ZXXOEXJOKSQABS-LJQANCHMSA-N 2 1 313.489 3.176 20 0 DGADMP S=C1C=COC1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001237178008 1100016248 /nfs/dbraw/zinc/01/62/48/1100016248.db2.gz VBEYLXRTIYYGMB-UHFFFAOYSA-N 2 1 306.475 3.409 20 0 DGADMP S=C1C=COC1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001237178008 1100016259 /nfs/dbraw/zinc/01/62/59/1100016259.db2.gz VBEYLXRTIYYGMB-UHFFFAOYSA-N 2 1 306.475 3.409 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CCC[C@@]4(CCc5c4cccc5F)C3)(C1)C2 ZINC001237188450 1100022608 /nfs/dbraw/zinc/02/26/08/1100022608.db2.gz OZSYBWKMIPLRHV-IOJLRTSASA-N 2 1 314.448 3.377 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CCC3CC[NH2+]CC3)CC[C@@H]1N2 ZINC001237228434 1100042193 /nfs/dbraw/zinc/04/21/93/1100042193.db2.gz AQGIERMGEVVDLL-WMZOPIPTSA-N 2 1 319.880 3.313 20 0 DGADMP CC1(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]CC1 ZINC001237234265 1100042777 /nfs/dbraw/zinc/04/27/77/1100042777.db2.gz LTPKGELRCBHEGD-NVXWUHKLSA-N 2 1 319.880 3.313 20 0 DGADMP C[C@@H]1Cc2cc(Br)ccc2C[N@H+]1CCCCC[NH3+] ZINC001237237188 1100044548 /nfs/dbraw/zinc/04/45/48/1100044548.db2.gz SWHZYORWCPWIOV-GFCCVEGCSA-N 2 1 311.267 3.325 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237381599 1100101080 /nfs/dbraw/zinc/10/10/80/1100101080.db2.gz JEBIKFHTHDKCIA-DYVFJYSZSA-N 2 1 300.402 3.015 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2c1 ZINC001237381599 1100101082 /nfs/dbraw/zinc/10/10/82/1100101082.db2.gz JEBIKFHTHDKCIA-DYVFJYSZSA-N 2 1 300.402 3.015 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C(C)C ZINC001237389100 1100104694 /nfs/dbraw/zinc/10/46/94/1100104694.db2.gz FPVWJPDSACQAMF-SJLPKXTDSA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C(C)C ZINC001237389100 1100104701 /nfs/dbraw/zinc/10/47/01/1100104701.db2.gz FPVWJPDSACQAMF-SJLPKXTDSA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237394903 1100108497 /nfs/dbraw/zinc/10/84/97/1100108497.db2.gz XAHMIMMGODGKHS-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237394903 1100108503 /nfs/dbraw/zinc/10/85/03/1100108503.db2.gz XAHMIMMGODGKHS-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)F ZINC001237409845 1100115974 /nfs/dbraw/zinc/11/59/74/1100115974.db2.gz BUFPAUMPYPWRHD-ZFWWWQNUSA-N 2 1 310.388 3.207 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)F ZINC001237409845 1100115978 /nfs/dbraw/zinc/11/59/78/1100115978.db2.gz BUFPAUMPYPWRHD-ZFWWWQNUSA-N 2 1 310.388 3.207 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc(Cl)c(F)c2)CC1 ZINC001237411361 1100118410 /nfs/dbraw/zinc/11/84/10/1100118410.db2.gz UILOOYNTEIPAST-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)c1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001237458860 1100130416 /nfs/dbraw/zinc/13/04/16/1100130416.db2.gz PSTAUEIWENRJAD-UHFFFAOYSA-N 2 1 315.461 3.440 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccn2nccc2c1 ZINC001237544256 1100166544 /nfs/dbraw/zinc/16/65/44/1100166544.db2.gz GGEYUKBQPNJFAR-UHFFFAOYSA-N 2 1 317.396 3.152 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]2C1 ZINC001237666762 1100208495 /nfs/dbraw/zinc/20/84/95/1100208495.db2.gz VDPJZHPQNVCOSK-KDURUIRLSA-N 2 1 308.425 3.053 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]2C1 ZINC001237666762 1100208502 /nfs/dbraw/zinc/20/85/02/1100208502.db2.gz VDPJZHPQNVCOSK-KDURUIRLSA-N 2 1 308.425 3.053 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@](C)(O)C3)cc21 ZINC001237880177 1100277864 /nfs/dbraw/zinc/27/78/64/1100277864.db2.gz DPPLMOOXMALNFL-FQEVSTJZSA-N 2 1 314.473 3.425 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)cc21 ZINC001237888792 1100283766 /nfs/dbraw/zinc/28/37/66/1100283766.db2.gz DYPCDYNTYODGAX-IBGZPJMESA-N 2 1 312.457 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOC[C@H]3C3CC3)cc21 ZINC001237888792 1100283772 /nfs/dbraw/zinc/28/37/72/1100283772.db2.gz DYPCDYNTYODGAX-IBGZPJMESA-N 2 1 312.457 3.299 20 0 DGADMP Cc1sccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001237967930 1100305261 /nfs/dbraw/zinc/30/52/61/1100305261.db2.gz JCRIEBRYOHNVKG-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1sccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001237967930 1100305271 /nfs/dbraw/zinc/30/52/71/1100305271.db2.gz JCRIEBRYOHNVKG-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1sccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001237967930 1100305280 /nfs/dbraw/zinc/30/52/80/1100305280.db2.gz JCRIEBRYOHNVKG-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1sccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001237967930 1100305290 /nfs/dbraw/zinc/30/52/90/1100305290.db2.gz JCRIEBRYOHNVKG-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc2c(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)cccc2n1 ZINC001278173229 1100316452 /nfs/dbraw/zinc/31/64/52/1100316452.db2.gz LBDNQXNRQWWJPR-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP CC[C@@H](C)[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001190865596 1100355681 /nfs/dbraw/zinc/35/56/81/1100355681.db2.gz YLQXGPSGCFTZFF-MOPGFXCFSA-N 2 1 317.521 3.171 20 0 DGADMP CC[N@H+](CCc1ccc(OC)cc1)Cc1cccc2c[nH+]cn21 ZINC001238105149 1100362485 /nfs/dbraw/zinc/36/24/85/1100362485.db2.gz DKPCUVLXVWTXFY-UHFFFAOYSA-N 2 1 309.413 3.408 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1cccc2c[nH+]cn21 ZINC001238105149 1100362491 /nfs/dbraw/zinc/36/24/91/1100362491.db2.gz DKPCUVLXVWTXFY-UHFFFAOYSA-N 2 1 309.413 3.408 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Br)CC[C@H]1C[NH3+] ZINC001205602547 1100627750 /nfs/dbraw/zinc/62/77/50/1100627750.db2.gz JLAKXKRDJMUCSP-OLZOCXBDSA-N 2 1 311.267 3.256 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690407 1100652309 /nfs/dbraw/zinc/65/23/09/1100652309.db2.gz RKFFXXCWFKMSKQ-SJORKVTESA-N 2 1 312.885 3.329 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690407 1100652312 /nfs/dbraw/zinc/65/23/12/1100652312.db2.gz RKFFXXCWFKMSKQ-SJORKVTESA-N 2 1 312.885 3.329 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC001192868289 1100668549 /nfs/dbraw/zinc/66/85/49/1100668549.db2.gz GDGFWIXTSWSQAL-RBUKOAKNSA-N 2 1 306.494 3.409 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cn1 ZINC001205662682 1100911868 /nfs/dbraw/zinc/91/18/68/1100911868.db2.gz DEUIIIFMRHBHOI-AAEUAGOBSA-N 2 1 315.383 3.216 20 0 DGADMP C[C@@H]([NH3+])c1ccccc1-c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001240305337 1100932741 /nfs/dbraw/zinc/93/27/41/1100932741.db2.gz NTBTYFZALMXIBU-MRXNPFEDSA-N 2 1 309.457 3.121 20 0 DGADMP c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)ccc1C[NH+]1CCOCC1 ZINC001240474335 1101012540 /nfs/dbraw/zinc/01/25/40/1101012540.db2.gz OMGFUVGHUJBWDU-IBGZPJMESA-N 2 1 323.440 3.005 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1 ZINC001278317340 1101079830 /nfs/dbraw/zinc/07/98/30/1101079830.db2.gz OCTBQRJKZGTIHG-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001278317340 1101079835 /nfs/dbraw/zinc/07/98/35/1101079835.db2.gz OCTBQRJKZGTIHG-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001278317340 1101079841 /nfs/dbraw/zinc/07/98/41/1101079841.db2.gz OCTBQRJKZGTIHG-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)N(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001195427372 1101139550 /nfs/dbraw/zinc/13/95/50/1101139550.db2.gz RPUKCSWEAOYCQH-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001195487966 1101147755 /nfs/dbraw/zinc/14/77/55/1101147755.db2.gz MKLYGEXAHXVVRV-WOJBJXKFSA-N 2 1 318.505 3.176 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001240855508 1101160004 /nfs/dbraw/zinc/16/00/04/1101160004.db2.gz TVUHJWIXYQBDFA-UHFFFAOYSA-N 2 1 323.440 3.467 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)CCC(C)C ZINC001196621959 1101352641 /nfs/dbraw/zinc/35/26/41/1101352641.db2.gz AHTJWPQMLXMBKW-IBGZPJMESA-N 2 1 306.494 3.367 20 0 DGADMP C[N@@H+]1CC=C(c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001241332024 1101379358 /nfs/dbraw/zinc/37/93/58/1101379358.db2.gz GHTQILZRNJZOBD-OALUTQOASA-N 2 1 300.446 3.192 20 0 DGADMP Oc1cccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001203860412 1101397728 /nfs/dbraw/zinc/39/77/28/1101397728.db2.gz FXCWKMGAKDJYEZ-UHFFFAOYSA-N 2 1 300.446 3.233 20 0 DGADMP C[N@H+]1CCC=C(c2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001241569579 1101553489 /nfs/dbraw/zinc/55/34/89/1101553489.db2.gz HNNLZOUTHVAPQP-QGZVFWFLSA-N 2 1 310.445 3.070 20 0 DGADMP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc4nc[nH]c4c3)c2)CC1 ZINC001241703396 1101648375 /nfs/dbraw/zinc/64/83/75/1101648375.db2.gz HXISEXWVVBZIGN-UHFFFAOYSA-N 2 1 306.413 3.153 20 0 DGADMP c1cc(C[NH+]2CCOCC2)cc(-c2ccc([C@H]3CCC[NH2+]3)cn2)c1 ZINC001241814886 1101718278 /nfs/dbraw/zinc/71/82/78/1101718278.db2.gz IIZMVTOAEBNWBC-LJQANCHMSA-N 2 1 323.440 3.005 20 0 DGADMP [NH3+][C@@H]1CCc2c1cccc2-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241818258 1101723837 /nfs/dbraw/zinc/72/38/37/1101723837.db2.gz LFMVBTRDBVMWOZ-HXUWFJFHSA-N 2 1 308.425 3.132 20 0 DGADMP CC(C)([NH3+])c1ccccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241818689 1101725061 /nfs/dbraw/zinc/72/50/61/1101725061.db2.gz XQNDHCDNFNGJAE-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP CCC[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001198431629 1101852682 /nfs/dbraw/zinc/85/26/82/1101852682.db2.gz ZHYOHOOUTCNVHX-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CCC[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001198431629 1101852700 /nfs/dbraw/zinc/85/27/00/1101852700.db2.gz ZHYOHOOUTCNVHX-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP Cc1ncsc1CCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001198822035 1101996208 /nfs/dbraw/zinc/99/62/08/1101996208.db2.gz YSNBXNOVPZOPBX-HDICACEKSA-N 2 1 319.518 3.192 20 0 DGADMP Cc1ncsc1CCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198822035 1101996212 /nfs/dbraw/zinc/99/62/12/1101996212.db2.gz YSNBXNOVPZOPBX-HDICACEKSA-N 2 1 319.518 3.192 20 0 DGADMP Cc1ncsc1CCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198822035 1101996219 /nfs/dbraw/zinc/99/62/19/1101996219.db2.gz YSNBXNOVPZOPBX-HDICACEKSA-N 2 1 319.518 3.192 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCCC4CCOCC4)C[C@@]2(C1)CCCC3 ZINC001198819288 1101997038 /nfs/dbraw/zinc/99/70/38/1101997038.db2.gz DSKODAWQHXLJPF-KDURUIRLSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCCC4CCOCC4)C[C@@]2(C1)CCCC3 ZINC001198819288 1101997046 /nfs/dbraw/zinc/99/70/46/1101997046.db2.gz DSKODAWQHXLJPF-KDURUIRLSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCCC4CCOCC4)C[C@@]2(C1)CCCC3 ZINC001198819288 1101997049 /nfs/dbraw/zinc/99/70/49/1101997049.db2.gz DSKODAWQHXLJPF-KDURUIRLSA-N 2 1 306.494 3.001 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001199950874 1102250987 /nfs/dbraw/zinc/25/09/87/1102250987.db2.gz BJDPZJBUWDMOBK-UHFFFAOYSA-N 2 1 322.412 3.135 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC(C)C)ccc1C ZINC001278353555 1102372235 /nfs/dbraw/zinc/37/22/35/1102372235.db2.gz JFFRQVVCWDZTNZ-AYHJJNSGSA-N 2 1 302.462 3.497 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912870 1102500082 /nfs/dbraw/zinc/50/00/82/1102500082.db2.gz DGXGAKVZTVQAHA-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912870 1102500091 /nfs/dbraw/zinc/50/00/91/1102500091.db2.gz DGXGAKVZTVQAHA-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913451 1102515142 /nfs/dbraw/zinc/51/51/42/1102515142.db2.gz IJFBRVWACPBAAD-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913451 1102515149 /nfs/dbraw/zinc/51/51/49/1102515149.db2.gz IJFBRVWACPBAAD-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CC(C)(C)C)CC[C@@H]21 ZINC001201435980 1102601955 /nfs/dbraw/zinc/60/19/55/1102601955.db2.gz YTVKBVCKMRDCCY-SQNIBIBYSA-N 2 1 318.509 3.102 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201508729 1102618304 /nfs/dbraw/zinc/61/83/04/1102618304.db2.gz IZHKEXYNQKYZPT-KRWDZBQOSA-N 2 1 301.478 3.416 20 0 DGADMP CC(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471231 1102623442 /nfs/dbraw/zinc/62/34/42/1102623442.db2.gz QTXDBAXLZNYKRR-WDSOQIARSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471231 1102623445 /nfs/dbraw/zinc/62/34/45/1102623445.db2.gz QTXDBAXLZNYKRR-WDSOQIARSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471231 1102623448 /nfs/dbraw/zinc/62/34/48/1102623448.db2.gz QTXDBAXLZNYKRR-WDSOQIARSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471231 1102623452 /nfs/dbraw/zinc/62/34/52/1102623452.db2.gz QTXDBAXLZNYKRR-WDSOQIARSA-N 2 1 301.478 3.270 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001201543475 1102631257 /nfs/dbraw/zinc/63/12/57/1102631257.db2.gz HAUGLGAEUHFLSA-KRWDZBQOSA-N 2 1 318.509 3.287 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001201543475 1102631259 /nfs/dbraw/zinc/63/12/59/1102631259.db2.gz HAUGLGAEUHFLSA-KRWDZBQOSA-N 2 1 318.509 3.287 20 0 DGADMP [NH3+][C@@H]1CCCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001205924839 1102684383 /nfs/dbraw/zinc/68/43/83/1102684383.db2.gz UICMKVPVTPFZGU-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001205924839 1102684387 /nfs/dbraw/zinc/68/43/87/1102684387.db2.gz UICMKVPVTPFZGU-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201707124 1102695719 /nfs/dbraw/zinc/69/57/19/1102695719.db2.gz VZEDSZFLMSHCEI-UHFFFAOYSA-N 2 1 308.491 3.215 20 0 DGADMP CCCCCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201747086 1102713152 /nfs/dbraw/zinc/71/31/52/1102713152.db2.gz UPAVYTCKOGYFPF-KRWDZBQOSA-N 2 1 324.509 3.306 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC001201917827 1102761111 /nfs/dbraw/zinc/76/11/11/1102761111.db2.gz BDSFKBXAYLNVMT-MRXNPFEDSA-N 2 1 320.502 3.213 20 0 DGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205932711 1102832591 /nfs/dbraw/zinc/83/25/91/1102832591.db2.gz TVFKRZXNHAALTN-CYBMUJFWSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205932711 1102832579 /nfs/dbraw/zinc/83/25/79/1102832579.db2.gz TVFKRZXNHAALTN-CYBMUJFWSA-N 2 1 322.250 3.244 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001243671355 1102905343 /nfs/dbraw/zinc/90/53/43/1102905343.db2.gz NDSPEFQGTUMMGQ-UHFFFAOYSA-N 2 1 323.440 3.467 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001326236395 1103241699 /nfs/dbraw/zinc/24/16/99/1103241699.db2.gz HXARMRJEUKVFMN-CVEARBPZSA-N 2 1 308.416 3.219 20 0 DGADMP c1csc(-c2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)no2)c1 ZINC001326311256 1103266858 /nfs/dbraw/zinc/26/68/58/1103266858.db2.gz SVDTXFBHCOIVQL-UHFFFAOYSA-N 2 1 317.458 3.369 20 0 DGADMP C[C@H]([NH2+]CCOC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000689072877 1103284686 /nfs/dbraw/zinc/28/46/86/1103284686.db2.gz VSKGZNSZRWSMBP-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000689072876 1103285342 /nfs/dbraw/zinc/28/53/42/1103285342.db2.gz VSKGZNSZRWSMBP-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP Fc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)cc1Cl ZINC001244302845 1103342798 /nfs/dbraw/zinc/34/27/98/1103342798.db2.gz SYLLMJRZTLHQIR-UHFFFAOYSA-N 2 1 309.747 3.090 20 0 DGADMP Cc1cc(F)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1Cl ZINC001244354075 1103387196 /nfs/dbraw/zinc/38/71/96/1103387196.db2.gz CALIXNRIZCOLOB-UHFFFAOYSA-N 2 1 305.784 3.259 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001326758839 1103430006 /nfs/dbraw/zinc/43/00/06/1103430006.db2.gz YLBIDKUUVKJHHI-OAHLLOKOSA-N 2 1 323.444 3.109 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001326758839 1103430020 /nfs/dbraw/zinc/43/00/20/1103430020.db2.gz YLBIDKUUVKJHHI-OAHLLOKOSA-N 2 1 323.444 3.109 20 0 DGADMP Cc1cc(Cl)c(N)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001244564002 1103526374 /nfs/dbraw/zinc/52/63/74/1103526374.db2.gz FRSLPIRCZLNTLP-UHFFFAOYSA-N 2 1 312.804 3.232 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001327127338 1103539694 /nfs/dbraw/zinc/53/96/94/1103539694.db2.gz VDBCGNJLORMEOZ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327127338 1103539699 /nfs/dbraw/zinc/53/96/99/1103539699.db2.gz VDBCGNJLORMEOZ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327127338 1103539705 /nfs/dbraw/zinc/53/97/05/1103539705.db2.gz VDBCGNJLORMEOZ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001327172567 1103567047 /nfs/dbraw/zinc/56/70/47/1103567047.db2.gz KVIJSUDPFJLMMA-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(F)c3F)CC2)C1 ZINC001276371746 1103688152 /nfs/dbraw/zinc/68/81/52/1103688152.db2.gz BBGLYLPYCPEZLI-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(F)c3F)CC2)C1 ZINC001276371746 1103688159 /nfs/dbraw/zinc/68/81/59/1103688159.db2.gz BBGLYLPYCPEZLI-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP COc1cccc2c(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)c[nH]c21 ZINC001276378274 1103699811 /nfs/dbraw/zinc/69/98/11/1103699811.db2.gz PFIQNMRHVCRCOW-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC001327838768 1103739012 /nfs/dbraw/zinc/73/90/12/1103739012.db2.gz CWRGEVDGRMRFGA-GHMZBOCLSA-N 2 1 300.830 3.006 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(-c2ccc([C@H]3CCC[NH2+]3)cc2)n1 ZINC001245349195 1103997626 /nfs/dbraw/zinc/99/76/26/1103997626.db2.gz SFWOUFQJBRMLNP-MRXNPFEDSA-N 2 1 305.385 3.062 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC001329022665 1104125674 /nfs/dbraw/zinc/12/56/74/1104125674.db2.gz HBVOJCFEUCPTAS-ZJUUUORDSA-N 2 1 303.219 3.237 20 0 DGADMP CN1CCC([N@H+](C)Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137220148 1104163933 /nfs/dbraw/zinc/16/39/33/1104163933.db2.gz UVLMBRMNCKZLEA-UHFFFAOYSA-N 2 1 303.837 3.414 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137220148 1104163937 /nfs/dbraw/zinc/16/39/37/1104163937.db2.gz UVLMBRMNCKZLEA-UHFFFAOYSA-N 2 1 303.837 3.414 20 0 DGADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157078 1104173126 /nfs/dbraw/zinc/17/31/26/1104173126.db2.gz VMITUHZMHOBVCD-BZSNNMDCSA-N 2 1 319.468 3.033 20 0 DGADMP CSc1ccc(F)c(C)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001245757869 1104222581 /nfs/dbraw/zinc/22/25/81/1104222581.db2.gz CGRUYKDNZYLPKY-UHFFFAOYSA-N 2 1 317.433 3.328 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[NH2+]1 ZINC001245981847 1104345314 /nfs/dbraw/zinc/34/53/14/1104345314.db2.gz NAMPKPWDRRHSED-WMZOPIPTSA-N 2 1 324.896 3.001 20 0 DGADMP C[C@@](O)(C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)c1ccccc1 ZINC001246049899 1104357165 /nfs/dbraw/zinc/35/71/65/1104357165.db2.gz CZZAKWMMGLAANI-YLJYHZDGSA-N 2 1 316.489 3.138 20 0 DGADMP CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064387 1104362730 /nfs/dbraw/zinc/36/27/30/1104362730.db2.gz CWIWUXCKHBBVTC-BZSNNMDCSA-N 2 1 322.468 3.305 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CC1(O)CC[NH2+]CC1 ZINC001246067881 1104363508 /nfs/dbraw/zinc/36/35/08/1104363508.db2.gz PRGOZXHISPJTBN-LJQANCHMSA-N 2 1 318.505 3.224 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)cc(OC)c1 ZINC001246071765 1104364056 /nfs/dbraw/zinc/36/40/56/1104364056.db2.gz DTXKRSSTQIMVRT-MRXNPFEDSA-N 2 1 318.461 3.248 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246074304 1104366503 /nfs/dbraw/zinc/36/65/03/1104366503.db2.gz NZFGKLHURFWWPI-CVEARBPZSA-N 2 1 306.450 3.104 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC001246074307 1104368297 /nfs/dbraw/zinc/36/82/97/1104368297.db2.gz NZFGKLHURFWWPI-HZPDHXFCSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C[C@H](C)[NH2+]1 ZINC001246077510 1104371361 /nfs/dbraw/zinc/37/13/61/1104371361.db2.gz UIZYFSACPQJSHX-WDAIWFPHSA-N 2 1 315.230 3.207 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246076285 1104372950 /nfs/dbraw/zinc/37/29/50/1104372950.db2.gz MGSQOMNPUCASNE-NXWXRZEISA-N 2 1 302.462 3.245 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246083413 1104376428 /nfs/dbraw/zinc/37/64/28/1104376428.db2.gz YUYUYFDENRLRTD-OLZOCXBDSA-N 2 1 302.340 3.205 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246089661 1104378457 /nfs/dbraw/zinc/37/84/57/1104378457.db2.gz RMAXYYXFTBAQAX-FQEVSTJZSA-N 2 1 317.521 3.063 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246098811 1104384409 /nfs/dbraw/zinc/38/44/09/1104384409.db2.gz SZFRBJDHJDPXAD-HICWGWBUSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001246116530 1104394920 /nfs/dbraw/zinc/39/49/20/1104394920.db2.gz NHTXSTWKUCCETF-YHAQOWFVSA-N 2 1 302.796 3.137 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246125869 1104397683 /nfs/dbraw/zinc/39/76/83/1104397683.db2.gz IDKICVYOUIJZKP-JQWIXIFHSA-N 2 1 302.796 3.281 20 0 DGADMP F[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246141947 1104403142 /nfs/dbraw/zinc/40/31/42/1104403142.db2.gz HZWCAGSOMXSPGY-WFASDCNBSA-N 2 1 317.235 3.142 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC001246162634 1104412108 /nfs/dbraw/zinc/41/21/08/1104412108.db2.gz GVFOCJPOXCOMMK-OLZOCXBDSA-N 2 1 304.331 3.465 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC001246162926 1104412398 /nfs/dbraw/zinc/41/23/98/1104412398.db2.gz JALDKDDBPVXHJT-LBPRGKRZSA-N 2 1 304.331 3.465 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246164874 1104413808 /nfs/dbraw/zinc/41/38/08/1104413808.db2.gz CNHPNGBEOOSQDK-UXHICEINSA-N 2 1 323.484 3.206 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246170051 1104416974 /nfs/dbraw/zinc/41/69/74/1104416974.db2.gz LBAQHHRQWXBRGK-INDMIFKZSA-N 3 1 309.542 3.255 20 0 DGADMP CC(C)C[C@H]([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)C(=O)OC(C)(C)C ZINC001246178046 1104422115 /nfs/dbraw/zinc/42/21/15/1104422115.db2.gz FJORTYAGVSHZIX-CVEARBPZSA-N 2 1 324.509 3.255 20 0 DGADMP CC(C)[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178280 1104424236 /nfs/dbraw/zinc/42/42/36/1104424236.db2.gz WOFJNYSGZSLRJJ-UFYCRDLUSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178280 1104424242 /nfs/dbraw/zinc/42/42/42/1104424242.db2.gz WOFJNYSGZSLRJJ-UFYCRDLUSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)C[C@H]([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246179942 1104424345 /nfs/dbraw/zinc/42/43/45/1104424345.db2.gz PCVAWMFLENMFHN-TXPKVOOTSA-N 2 1 324.509 3.255 20 0 DGADMP CCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246190188 1104429880 /nfs/dbraw/zinc/42/98/80/1104429880.db2.gz BWRCOMLSKILAHK-WBVHZDCISA-N 2 1 306.450 3.006 20 0 DGADMP CCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246190187 1104430032 /nfs/dbraw/zinc/43/00/32/1104430032.db2.gz BWRCOMLSKILAHK-RDJZCZTQSA-N 2 1 306.450 3.006 20 0 DGADMP C[C@@]1([NH2+][C@H]2CCc3cccc(Br)c3C2)CCC[NH2+]C1 ZINC001246188624 1104430430 /nfs/dbraw/zinc/43/04/30/1104430430.db2.gz JXGHTWYPUSJDPZ-XJKSGUPXSA-N 2 1 323.278 3.038 20 0 DGADMP CCCC[NH+](CCCC)CCN[C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246193692 1104432456 /nfs/dbraw/zinc/43/24/56/1104432456.db2.gz OJJWJQHQWPYWIL-LSDHHAIUSA-N 2 1 323.447 3.161 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246193692 1104432463 /nfs/dbraw/zinc/43/24/63/1104432463.db2.gz OJJWJQHQWPYWIL-LSDHHAIUSA-N 2 1 323.447 3.161 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196238 1104434416 /nfs/dbraw/zinc/43/44/16/1104434416.db2.gz RTRCSXHYGXEFIW-MSOLQXFVSA-N 2 1 307.526 3.295 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196238 1104434420 /nfs/dbraw/zinc/43/44/20/1104434420.db2.gz RTRCSXHYGXEFIW-MSOLQXFVSA-N 3 1 307.526 3.295 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196238 1104434422 /nfs/dbraw/zinc/43/44/22/1104434422.db2.gz RTRCSXHYGXEFIW-MSOLQXFVSA-N 3 1 307.526 3.295 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246204727 1104437637 /nfs/dbraw/zinc/43/76/37/1104437637.db2.gz ZBGWHNCQVQKDLK-XZKMEQPCSA-N 3 1 319.468 3.034 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC ZINC001246204100 1104437685 /nfs/dbraw/zinc/43/76/85/1104437685.db2.gz OLVACXSZEXPPII-ROUUACIJSA-N 2 1 320.477 3.048 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2cc(F)ccc2C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC001246221484 1104443273 /nfs/dbraw/zinc/44/32/73/1104443273.db2.gz CWURPDHLIIMORU-NXEZZACHSA-N 2 1 304.331 3.463 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1C(F)(F)F ZINC001246236979 1104452540 /nfs/dbraw/zinc/45/25/40/1104452540.db2.gz VOKBVOCZLZWLNQ-PTEHBNRSSA-N 2 1 316.367 3.333 20 0 DGADMP COC[C@@H]([NH3+])C[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246241177 1104454132 /nfs/dbraw/zinc/45/41/32/1104454132.db2.gz QOZXKDKJSKEXAY-APWZRJJASA-N 2 1 312.457 3.160 20 0 DGADMP CC[C@H](C)[C@H]([NH2+]C1CCC2(CC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246247140 1104457203 /nfs/dbraw/zinc/45/72/03/1104457203.db2.gz WWNACDBDJZPAAR-QCTRZYONSA-N 2 1 324.509 3.255 20 0 DGADMP CC(C)CC[C@@H]([NH2+]C1CCC2(C[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246267296 1104465459 /nfs/dbraw/zinc/46/54/59/1104465459.db2.gz HTTUBOBUQFXPDK-MRXNPFEDSA-N 2 1 324.509 3.255 20 0 DGADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246274559 1104468998 /nfs/dbraw/zinc/46/89/98/1104468998.db2.gz XLSBPVVZNMTWAK-HNNXBMFYSA-N 2 1 300.446 3.369 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246290749 1104475240 /nfs/dbraw/zinc/47/52/40/1104475240.db2.gz YXICZIGXEUEZAL-RISCZKNCSA-N 2 1 309.251 3.168 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1(C)C ZINC001246291945 1104475925 /nfs/dbraw/zinc/47/59/25/1104475925.db2.gz VPALIJGYTIPNRH-GDBMZVCRSA-N 3 1 309.542 3.394 20 0 DGADMP OCC[C@@]1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC001246294056 1104476989 /nfs/dbraw/zinc/47/69/89/1104476989.db2.gz LSICBAZZJGCPNJ-VJFUWPCTSA-N 2 1 322.880 3.070 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC001246295367 1104477031 /nfs/dbraw/zinc/47/70/31/1104477031.db2.gz WEBXLMFPZXMBFS-NXEZZACHSA-N 2 1 303.219 3.237 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246298984 1104478446 /nfs/dbraw/zinc/47/84/46/1104478446.db2.gz GANNOJSQXQUXHL-APWZRJJASA-N 2 1 312.457 3.176 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC001307796460 1104480705 /nfs/dbraw/zinc/48/07/05/1104480705.db2.gz KIQGBPGYOFSQSG-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC001307796460 1104480712 /nfs/dbraw/zinc/48/07/12/1104480712.db2.gz KIQGBPGYOFSQSG-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC001307796460 1104480719 /nfs/dbraw/zinc/48/07/19/1104480719.db2.gz KIQGBPGYOFSQSG-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP CC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246310448 1104482158 /nfs/dbraw/zinc/48/21/58/1104482158.db2.gz CPSGUKXGPTWZML-VQTJNVASSA-N 2 1 324.468 3.450 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@H]2C)C[NH2+]1 ZINC001246313449 1104483522 /nfs/dbraw/zinc/48/35/22/1104483522.db2.gz ZLKTXLBONXLIOV-NSNLRKJJSA-N 2 1 321.553 3.285 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)CN1 ZINC001246316390 1104486119 /nfs/dbraw/zinc/48/61/19/1104486119.db2.gz NJTFACJXYFDHGD-ZWNOBZJWSA-N 2 1 304.331 3.117 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC001246316390 1104486124 /nfs/dbraw/zinc/48/61/24/1104486124.db2.gz NJTFACJXYFDHGD-ZWNOBZJWSA-N 2 1 304.331 3.117 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246324425 1104488561 /nfs/dbraw/zinc/48/85/61/1104488561.db2.gz FETIUFKVZIRODO-WDSOQIARSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246324288 1104489261 /nfs/dbraw/zinc/48/92/61/1104489261.db2.gz GNHJPPIAFVUSFB-QRQLOZEOSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C[NH2+]1 ZINC001246326430 1104490595 /nfs/dbraw/zinc/49/05/95/1104490595.db2.gz UUSWJBVCOLZSQH-YJBOKZPZSA-N 2 1 306.453 3.257 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246346956 1104501094 /nfs/dbraw/zinc/50/10/94/1104501094.db2.gz NWAAOTQQRSKWRB-MSQAHXEGSA-N 2 1 323.278 3.253 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCc4ccccc4N3)CC[NH2+]2)cc1 ZINC001246345237 1104501118 /nfs/dbraw/zinc/50/11/18/1104501118.db2.gz DICIFFDMAYNARB-SBHAEUEKSA-N 2 1 321.468 3.496 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001246344915 1104501325 /nfs/dbraw/zinc/50/13/25/1104501325.db2.gz KYIFUNCZPVRQGD-JCYILVPMSA-N 2 1 318.461 3.118 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246357179 1104506160 /nfs/dbraw/zinc/50/61/60/1104506160.db2.gz JLOSRQDSAPLDFE-OAHLLOKOSA-N 2 1 306.425 3.379 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246361386 1104507868 /nfs/dbraw/zinc/50/78/68/1104507868.db2.gz NYRUAQPIRCIRPF-NUJGCVRESA-N 2 1 307.526 3.150 20 0 DGADMP CC[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246360066 1104508205 /nfs/dbraw/zinc/50/82/05/1104508205.db2.gz IGGJLMHRHOYBMN-XMTFNYHQSA-N 2 1 307.526 3.292 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246361663 1104508503 /nfs/dbraw/zinc/50/85/03/1104508503.db2.gz MVGFKTVRIYJANE-GBESFXJTSA-N 2 1 321.553 3.397 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246363056 1104510282 /nfs/dbraw/zinc/51/02/82/1104510282.db2.gz OTIDGVLGMVAAOU-DLBZAZTESA-N 2 1 318.461 3.120 20 0 DGADMP C([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383536 1104518992 /nfs/dbraw/zinc/51/89/92/1104518992.db2.gz GUULPNTXVBHICM-GOSISDBHSA-N 3 1 319.537 3.153 20 0 DGADMP C([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383536 1104518999 /nfs/dbraw/zinc/51/89/99/1104518999.db2.gz GUULPNTXVBHICM-GOSISDBHSA-N 3 1 319.537 3.153 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246392869 1104521970 /nfs/dbraw/zinc/52/19/70/1104521970.db2.gz OQDLGQNCQFUVSX-SMDDNHRTSA-N 2 1 300.368 3.367 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2OC)C2CC2)CC[NH2+]1 ZINC001246391696 1104522161 /nfs/dbraw/zinc/52/21/61/1104522161.db2.gz GQADVEWKVLWNQW-JFIYKMOQSA-N 2 1 317.477 3.442 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246392855 1104522264 /nfs/dbraw/zinc/52/22/64/1104522264.db2.gz OQDLGQNCQFUVSX-BXUZGUMPSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC[NH2+]1 ZINC001246393892 1104523885 /nfs/dbraw/zinc/52/38/85/1104523885.db2.gz LGVQPKHKHUYCPH-WDBKCZKBSA-N 2 1 313.367 3.282 20 0 DGADMP CC[C@@H]1C[C@@H](N[C@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246395054 1104524176 /nfs/dbraw/zinc/52/41/76/1104524176.db2.gz MMFYZKINJXTPEW-HSALFYBXSA-N 2 1 315.505 3.238 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246402248 1104527442 /nfs/dbraw/zinc/52/74/42/1104527442.db2.gz TZNYYHCBQZMTDT-NJAFHUGGSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@H]1CC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407883 1104528545 /nfs/dbraw/zinc/52/85/45/1104528545.db2.gz VGGNSRZAYQHDLP-DSLXNQLJSA-N 2 1 307.526 3.279 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccncc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246406865 1104529671 /nfs/dbraw/zinc/52/96/71/1104529671.db2.gz PZFANEKOEPSYSL-GDBMZVCRSA-N 2 1 323.431 3.302 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+]C1CCC2(CC[NH2+]C2)CC1)C(C)(C)C ZINC001246414130 1104532330 /nfs/dbraw/zinc/53/23/30/1104532330.db2.gz HERPAWKWLOXVGQ-XAUUPUKJSA-N 2 1 324.509 3.255 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246414963 1104532375 /nfs/dbraw/zinc/53/23/75/1104532375.db2.gz WCCDHHYJRMRZMY-QZTJIDSGSA-N 2 1 304.478 3.145 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)Cc1cccc(C(F)(F)F)c1 ZINC001246433576 1104538356 /nfs/dbraw/zinc/53/83/56/1104538356.db2.gz RNFYSZXETLCBDY-CQSZACIVSA-N 2 1 300.368 3.226 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccccc1C(F)(F)F ZINC001246431483 1104538804 /nfs/dbraw/zinc/53/88/04/1104538804.db2.gz JKTLVYNBQSGSRR-CYBMUJFWSA-N 2 1 300.368 3.226 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440221 1104539539 /nfs/dbraw/zinc/53/95/39/1104539539.db2.gz CWFKLWUQDMCLIS-AXUOBQJMSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440221 1104539542 /nfs/dbraw/zinc/53/95/42/1104539542.db2.gz CWFKLWUQDMCLIS-AXUOBQJMSA-N 3 1 319.468 3.038 20 0 DGADMP C(C1CCC1)C1([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246445739 1104542067 /nfs/dbraw/zinc/54/20/67/1104542067.db2.gz HOWSPKSHLRIZIM-SFHVURJKSA-N 3 1 319.537 3.343 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246442357 1104542531 /nfs/dbraw/zinc/54/25/31/1104542531.db2.gz NMCSNPLCFYCGBG-LEAZDLGRSA-N 2 1 315.505 3.207 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1C(F)(F)F ZINC001246441633 1104542787 /nfs/dbraw/zinc/54/27/87/1104542787.db2.gz NOEFDUPAPPWLMS-YPMHNXCESA-N 2 1 316.367 3.334 20 0 DGADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@@H](C)NC2)cc1 ZINC001246451220 1104543636 /nfs/dbraw/zinc/54/36/36/1104543636.db2.gz ZJEAADJOVONBBE-VBSBHUPXSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@@H](C)NC2)cc1 ZINC001246451220 1104543639 /nfs/dbraw/zinc/54/36/39/1104543639.db2.gz ZJEAADJOVONBBE-VBSBHUPXSA-N 2 1 315.505 3.207 20 0 DGADMP CC[C@@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC001246454650 1104544599 /nfs/dbraw/zinc/54/45/99/1104544599.db2.gz FSIDMEXKTAJZBR-RLLQIKCJSA-N 2 1 315.505 3.161 20 0 DGADMP COc1cccc2c1CC[C@H](CCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246462598 1104549610 /nfs/dbraw/zinc/54/96/10/1104549610.db2.gz BWUBDVIFDLYOJG-RYRKJORJSA-N 2 1 316.489 3.310 20 0 DGADMP CC[C@@]1(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC001246466098 1104549734 /nfs/dbraw/zinc/54/97/34/1104549734.db2.gz VODHLPUJJPCABM-AZUAARDMSA-N 2 1 315.505 3.161 20 0 DGADMP c1ccc(Oc2ccc(CC[NH2+][C@H]3CCCC[NH2+]C3)cn2)cc1 ZINC001246470371 1104553144 /nfs/dbraw/zinc/55/31/44/1104553144.db2.gz MUWXPBGYPQBVKY-KRWDZBQOSA-N 2 1 311.429 3.148 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)CN1 ZINC001246470711 1104553366 /nfs/dbraw/zinc/55/33/66/1104553366.db2.gz OUKPOLBIMLNCAV-DOTOQJQBSA-N 2 1 311.429 3.147 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C[NH2+]1 ZINC001246470711 1104553375 /nfs/dbraw/zinc/55/33/75/1104553375.db2.gz OUKPOLBIMLNCAV-DOTOQJQBSA-N 2 1 311.429 3.147 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCN4)CC[NH2+]2)cc1 ZINC001246475736 1104557570 /nfs/dbraw/zinc/55/75/70/1104557570.db2.gz VSVVIGHQXLMLAE-QUCCMNQESA-N 2 1 307.441 3.238 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001246480007 1104559103 /nfs/dbraw/zinc/55/91/03/1104559103.db2.gz XMJXFYIIISFCNX-NOXHYTERSA-N 2 1 308.878 3.184 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001246484990 1104560618 /nfs/dbraw/zinc/56/06/18/1104560618.db2.gz GDXBKBKOOLREGX-OLZOCXBDSA-N 2 1 314.807 3.032 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246493932 1104564926 /nfs/dbraw/zinc/56/49/26/1104564926.db2.gz GUHRMKDDOJRCOF-JMSVASOKSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246497211 1104565037 /nfs/dbraw/zinc/56/50/37/1104565037.db2.gz WIAFAYRUQXKPBC-DEQYAXRXSA-N 2 1 314.807 3.279 20 0 DGADMP C[C@H]1CC([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001246499757 1104566391 /nfs/dbraw/zinc/56/63/91/1104566391.db2.gz DVZQMROVMDOEAK-FMKPAKJESA-N 2 1 312.498 3.240 20 0 DGADMP C[C@@H]1CC([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001246499756 1104566592 /nfs/dbraw/zinc/56/65/92/1104566592.db2.gz DVZQMROVMDOEAK-DZKIICNBSA-N 2 1 312.498 3.240 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246501380 1104567150 /nfs/dbraw/zinc/56/71/50/1104567150.db2.gz SLRZKXRILREXJC-JKOKRWQUSA-N 2 1 324.266 3.036 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246515573 1104574003 /nfs/dbraw/zinc/57/40/03/1104574003.db2.gz SKXZEBZVPRPACE-ZACQAIPSSA-N 3 1 307.526 3.198 20 0 DGADMP CC[C@@H]1CC([NH+]2CCN(c3ccccc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246520149 1104575305 /nfs/dbraw/zinc/57/53/05/1104575305.db2.gz RBBAHCQKUSJCGS-IAGOWNOFSA-N 2 1 301.478 3.118 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)c1 ZINC001246519516 1104576090 /nfs/dbraw/zinc/57/60/90/1104576090.db2.gz BFPIVXVNDNLPER-SFHVURJKSA-N 2 1 313.489 3.100 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246524536 1104577084 /nfs/dbraw/zinc/57/70/84/1104577084.db2.gz MHVDKOJBBDUWMR-CYBMUJFWSA-N 2 1 311.267 3.066 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CS2 ZINC001246523521 1104578173 /nfs/dbraw/zinc/57/81/73/1104578173.db2.gz NEZOWTXUKJQHLF-INIZCTEOSA-N 2 1 302.487 3.169 20 0 DGADMP Clc1ccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246529259 1104579129 /nfs/dbraw/zinc/57/91/29/1104579129.db2.gz JLJVHCRCUVNCOH-QGZVFWFLSA-N 2 1 319.880 3.137 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246536560 1104581899 /nfs/dbraw/zinc/58/18/99/1104581899.db2.gz QVAFZNBPOYNXRZ-JQHSSLGASA-N 2 1 304.478 3.479 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246546449 1104588864 /nfs/dbraw/zinc/58/88/64/1104588864.db2.gz GNJWLWUFMQPUHX-PBHICJAKSA-N 2 1 310.844 3.350 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545696 1104589034 /nfs/dbraw/zinc/58/90/34/1104589034.db2.gz HXHKVNOUIUBEEK-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545696 1104589036 /nfs/dbraw/zinc/58/90/36/1104589036.db2.gz HXHKVNOUIUBEEK-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001275039947 1104589815 /nfs/dbraw/zinc/58/98/15/1104589815.db2.gz FCRJUKDOWDLMMS-HXUWFJFHSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001275039947 1104589823 /nfs/dbraw/zinc/58/98/23/1104589823.db2.gz FCRJUKDOWDLMMS-HXUWFJFHSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001275039947 1104589830 /nfs/dbraw/zinc/58/98/30/1104589830.db2.gz FCRJUKDOWDLMMS-HXUWFJFHSA-N 2 1 309.457 3.395 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246550823 1104590414 /nfs/dbraw/zinc/59/04/14/1104590414.db2.gz OHVHQSAAMQUEHM-SJORKVTESA-N 2 1 310.844 3.350 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@H]1C[NH3+] ZINC001246550148 1104591089 /nfs/dbraw/zinc/59/10/89/1104591089.db2.gz IWDLYSLWVVUPAA-HUUCEWRRSA-N 2 1 321.896 3.226 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001246555422 1104593580 /nfs/dbraw/zinc/59/35/80/1104593580.db2.gz FCQUAOGNMVUCHB-NXWXRZEISA-N 2 1 302.462 3.214 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560511 1104595257 /nfs/dbraw/zinc/59/52/57/1104595257.db2.gz VDNIEWFYOSSPNK-YPMHNXCESA-N 2 1 302.796 3.187 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560511 1104595265 /nfs/dbraw/zinc/59/52/65/1104595265.db2.gz VDNIEWFYOSSPNK-YPMHNXCESA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560510 1104596225 /nfs/dbraw/zinc/59/62/25/1104596225.db2.gz VDNIEWFYOSSPNK-WCQYABFASA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560510 1104596232 /nfs/dbraw/zinc/59/62/32/1104596232.db2.gz VDNIEWFYOSSPNK-WCQYABFASA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001246557668 1104596548 /nfs/dbraw/zinc/59/65/48/1104596548.db2.gz NDGBTTAFIVGHES-IZBJGVDFSA-N 2 1 315.505 3.099 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001246563570 1104596984 /nfs/dbraw/zinc/59/69/84/1104596984.db2.gz XHMGTMHKFOKOPZ-BQFCYCMXSA-N 2 1 304.478 3.323 20 0 DGADMP COC1(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CCC1 ZINC001330626100 1104597822 /nfs/dbraw/zinc/59/78/22/1104597822.db2.gz XCQYQUCQVHPSHL-MRXNPFEDSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246569905 1104599087 /nfs/dbraw/zinc/59/90/87/1104599087.db2.gz PRBINUYFLGXZAC-VROUVPMXSA-N 2 1 315.505 3.097 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246578409 1104603493 /nfs/dbraw/zinc/60/34/93/1104603493.db2.gz QYDMKZFUPSFOGZ-APWZRJJASA-N 2 1 318.461 3.187 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@](C)(C[NH3+])CC1)C2 ZINC001246577769 1104603941 /nfs/dbraw/zinc/60/39/41/1104603941.db2.gz PIHLUVWJKDPMMM-APWZRJJASA-N 2 1 302.462 3.003 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246589394 1104607589 /nfs/dbraw/zinc/60/75/89/1104607589.db2.gz DDWDPHMRGWTUII-GPMSIDNRSA-N 2 1 324.509 3.208 20 0 DGADMP CCC1CCC(C2CCC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)CC1 ZINC001246587937 1104608258 /nfs/dbraw/zinc/60/82/58/1104608258.db2.gz VWGROPBUFQPAOX-GJPKXRQBSA-N 2 1 308.510 3.013 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246592537 1104610066 /nfs/dbraw/zinc/61/00/66/1104610066.db2.gz KCCGBAVHBCZQNA-WMZOPIPTSA-N 2 1 304.478 3.479 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246591671 1104610218 /nfs/dbraw/zinc/61/02/18/1104610218.db2.gz NLHUZDGIKFZCBH-YJNKXOJESA-N 2 1 322.415 3.075 20 0 DGADMP CC[C@H]1CC([N@@H+]2CCc3cc4c(cc3C2)OCO4)C[C@H](CC)[NH2+]1 ZINC001246594166 1104611556 /nfs/dbraw/zinc/61/15/56/1104611556.db2.gz DSBGAZZVAFXXCZ-HOTGVXAUSA-N 2 1 316.445 3.083 20 0 DGADMP CC[C@H]1CC([N@H+]2CCc3cc4c(cc3C2)OCO4)C[C@H](CC)[NH2+]1 ZINC001246594166 1104611561 /nfs/dbraw/zinc/61/15/61/1104611561.db2.gz DSBGAZZVAFXXCZ-HOTGVXAUSA-N 2 1 316.445 3.083 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001246597606 1104614113 /nfs/dbraw/zinc/61/41/13/1104614113.db2.gz XRTBLXMVQLUJDP-YJBOKZPZSA-N 2 1 308.416 3.273 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246597319 1104614563 /nfs/dbraw/zinc/61/45/63/1104614563.db2.gz UDSGZTRNAVEOBI-QZTJIDSGSA-N 3 1 307.526 3.153 20 0 DGADMP C1CC2(C[C@@H]1[N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246600105 1104615969 /nfs/dbraw/zinc/61/59/69/1104615969.db2.gz CUAZYEWFBUDMFY-QUCCMNQESA-N 3 1 319.537 3.155 20 0 DGADMP c1nc2c(s1)C[C@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)CC2 ZINC001246599318 1104616520 /nfs/dbraw/zinc/61/65/20/1104616520.db2.gz CFXPDAIRUNNZRM-QAPCUYQASA-N 2 1 319.518 3.246 20 0 DGADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246602769 1104621012 /nfs/dbraw/zinc/62/10/12/1104621012.db2.gz JKBDUPUCPQAZML-AQNXPRMDSA-N 3 1 319.537 3.155 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]CC3)CS2 ZINC001246606049 1104622249 /nfs/dbraw/zinc/62/22/49/1104622249.db2.gz LTQLXUARPANLQM-SJLPKXTDSA-N 2 1 302.487 3.312 20 0 DGADMP CCCCC[C@@H](CC)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246606965 1104622327 /nfs/dbraw/zinc/62/23/27/1104622327.db2.gz YOVGBAQHBJDIGX-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246605515 1104622571 /nfs/dbraw/zinc/62/25/71/1104622571.db2.gz KSNCZTAQLPMRKK-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246607638 1104624467 /nfs/dbraw/zinc/62/44/67/1104624467.db2.gz GZZFHESDPMBPJP-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC(C)C)CC3)n(C)n1 ZINC001275102494 1104624999 /nfs/dbraw/zinc/62/49/99/1104624999.db2.gz OYGCTRUIIBURAD-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246611277 1104625766 /nfs/dbraw/zinc/62/57/66/1104625766.db2.gz OPCLKMDSDXXVGP-APWZRJJASA-N 2 1 320.427 3.288 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246610515 1104626160 /nfs/dbraw/zinc/62/61/60/1104626160.db2.gz BGXUIAOQZCCFDI-PXNSSMCTSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246610515 1104626167 /nfs/dbraw/zinc/62/61/67/1104626167.db2.gz BGXUIAOQZCCFDI-PXNSSMCTSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246610517 1104626447 /nfs/dbraw/zinc/62/64/47/1104626447.db2.gz BGXUIAOQZCCFDI-YLJYHZDGSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246610517 1104626452 /nfs/dbraw/zinc/62/64/52/1104626452.db2.gz BGXUIAOQZCCFDI-YLJYHZDGSA-N 2 1 314.473 3.161 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246621761 1104632595 /nfs/dbraw/zinc/63/25/95/1104632595.db2.gz GBSCLCFVEQWYPM-FAJBIJEISA-N 2 1 313.489 3.438 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)C2 ZINC001246626251 1104634232 /nfs/dbraw/zinc/63/42/32/1104634232.db2.gz HTKFATJKUOYRAC-XHSDSOJGSA-N 2 1 304.865 3.129 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C[C@H]21 ZINC001246635124 1104638425 /nfs/dbraw/zinc/63/84/25/1104638425.db2.gz SBSUHOACGVFSLQ-WQDJSCAQSA-N 2 1 311.473 3.050 20 0 DGADMP Clc1cccc2c1CC[C@@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246636643 1104638478 /nfs/dbraw/zinc/63/84/78/1104638478.db2.gz DIBJQHLTNCDEJC-OAHLLOKOSA-N 2 1 304.865 3.273 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H](C)CC1CC1)CC2 ZINC001246633030 1104638829 /nfs/dbraw/zinc/63/88/29/1104638829.db2.gz DDKSULPBFMMZDP-HNNXBMFYSA-N 2 1 314.473 3.321 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246637780 1104640809 /nfs/dbraw/zinc/64/08/09/1104640809.db2.gz KCBZSHSRGLYPCM-SJORKVTESA-N 2 1 308.416 3.328 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246636735 1104640973 /nfs/dbraw/zinc/64/09/73/1104640973.db2.gz WRSKFKGSVFFBAR-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc(N2CCC([N@@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)c1 ZINC001246641242 1104642134 /nfs/dbraw/zinc/64/21/34/1104642134.db2.gz CJCUYRXBTLRCAN-IBGZPJMESA-N 2 1 317.452 3.013 20 0 DGADMP Fc1cccc(N2CCC([N@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)c1 ZINC001246641242 1104642138 /nfs/dbraw/zinc/64/21/38/1104642138.db2.gz CJCUYRXBTLRCAN-IBGZPJMESA-N 2 1 317.452 3.013 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCCCC13CC[NH2+]CC3)CC2 ZINC001246645479 1104644418 /nfs/dbraw/zinc/64/44/18/1104644418.db2.gz BNIZZABDOVUUHQ-INIZCTEOSA-N 2 1 320.427 3.430 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C2 ZINC001246647767 1104645927 /nfs/dbraw/zinc/64/59/27/1104645927.db2.gz UBFPDYABSHFVGA-UYAOXDASSA-N 2 1 314.473 3.017 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650960 1104648025 /nfs/dbraw/zinc/64/80/25/1104648025.db2.gz KRAIZDZLGJXGPP-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650960 1104648028 /nfs/dbraw/zinc/64/80/28/1104648028.db2.gz KRAIZDZLGJXGPP-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650403 1104648071 /nfs/dbraw/zinc/64/80/71/1104648071.db2.gz HSYRHAMTNAWJMA-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650403 1104648074 /nfs/dbraw/zinc/64/80/74/1104648074.db2.gz HSYRHAMTNAWJMA-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC(C)(C)C1 ZINC001246653038 1104649193 /nfs/dbraw/zinc/64/91/93/1104649193.db2.gz CERWEKHPVFGWIX-COMQUAJESA-N 2 1 304.400 3.285 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246657767 1104651229 /nfs/dbraw/zinc/65/12/29/1104651229.db2.gz IMFROQYCMLCEPW-INWMFGNUSA-N 2 1 312.379 3.320 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001246662113 1104652619 /nfs/dbraw/zinc/65/26/19/1104652619.db2.gz VXRSFRGKWIERCH-SFHVURJKSA-N 2 1 321.553 3.492 20 0 DGADMP CN1C(C)(C)CC([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001246662113 1104652625 /nfs/dbraw/zinc/65/26/25/1104652625.db2.gz VXRSFRGKWIERCH-SFHVURJKSA-N 2 1 321.553 3.492 20 0 DGADMP CN1C(C)(C)CC([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001246662113 1104652632 /nfs/dbraw/zinc/65/26/32/1104652632.db2.gz VXRSFRGKWIERCH-SFHVURJKSA-N 2 1 321.553 3.492 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246670454 1104655827 /nfs/dbraw/zinc/65/58/27/1104655827.db2.gz CXPZKFNBMVYNTO-LMNJBCLMSA-N 2 1 324.468 3.464 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246670454 1104655829 /nfs/dbraw/zinc/65/58/29/1104655829.db2.gz CXPZKFNBMVYNTO-LMNJBCLMSA-N 2 1 324.468 3.464 20 0 DGADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+]([C@H]2CCCSC2)CC3)cc1 ZINC001246671080 1104656284 /nfs/dbraw/zinc/65/62/84/1104656284.db2.gz GOZUFDKGVOQHRL-CEXWTWQISA-N 2 1 316.514 3.135 20 0 DGADMP C1C[NH2+]C[C@@H]([C@@H]2CCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246675986 1104657175 /nfs/dbraw/zinc/65/71/75/1104657175.db2.gz GFLOPYTTZZMFAM-ZWKOTPCHSA-N 3 1 319.537 3.010 20 0 DGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679092 1104658778 /nfs/dbraw/zinc/65/87/78/1104658778.db2.gz RYHMSCZNWVLHDN-KBAYOESNSA-N 2 1 304.453 3.468 20 0 DGADMP c1cc2c(s1)CC[N@@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246683880 1104660415 /nfs/dbraw/zinc/66/04/15/1104660415.db2.gz VCVAXIHWNQRDJU-ZWKOTPCHSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)CC[N@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246683880 1104660420 /nfs/dbraw/zinc/66/04/20/1104660420.db2.gz VCVAXIHWNQRDJU-ZWKOTPCHSA-N 2 1 312.482 3.470 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001246691563 1104662589 /nfs/dbraw/zinc/66/25/89/1104662589.db2.gz LHBPCLZJAQZZQT-WOJBJXKFSA-N 2 1 324.468 3.490 20 0 DGADMP C(C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCC1)C2)C1CCOCC1 ZINC001275175991 1104664830 /nfs/dbraw/zinc/66/48/30/1104664830.db2.gz OMHHHJBHCLHHPY-YQQQUEKLSA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC[NH2+]1 ZINC001246744389 1104665448 /nfs/dbraw/zinc/66/54/48/1104665448.db2.gz MKKKIORBLAXWGP-JAZQRGJZSA-N 2 1 320.521 3.290 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1C[C@H](CC)[NH2+][C@@H](CC)C1)C2 ZINC001246707052 1104666162 /nfs/dbraw/zinc/66/61/62/1104666162.db2.gz YRRHILPDZYHBGD-DFEOGRTESA-N 2 1 308.510 3.434 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001246769217 1104667656 /nfs/dbraw/zinc/66/76/56/1104667656.db2.gz QRHOJOARKSYKKK-DPZWOIPNSA-N 2 1 314.473 3.181 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779951 1104670002 /nfs/dbraw/zinc/67/00/02/1104670002.db2.gz RLLCRAVBQQQJTJ-IRXDYDNUSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246779951 1104670006 /nfs/dbraw/zinc/67/00/06/1104670006.db2.gz RLLCRAVBQQQJTJ-IRXDYDNUSA-N 2 1 320.477 3.446 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246780327 1104670289 /nfs/dbraw/zinc/67/02/89/1104670289.db2.gz CLZYRZGWQSHOOZ-AEFFLSMTSA-N 2 1 318.436 3.201 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CC3CCC3)C[C@H]2CC1 ZINC001275182414 1104670533 /nfs/dbraw/zinc/67/05/33/1104670533.db2.gz UZQWDXYDGHORDW-CALCHBBNSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC001275182414 1104670537 /nfs/dbraw/zinc/67/05/37/1104670537.db2.gz UZQWDXYDGHORDW-CALCHBBNSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC001275182414 1104670539 /nfs/dbraw/zinc/67/05/39/1104670539.db2.gz UZQWDXYDGHORDW-CALCHBBNSA-N 2 1 319.518 3.395 20 0 DGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1OC ZINC001246783641 1104672152 /nfs/dbraw/zinc/67/21/52/1104672152.db2.gz CMPAHDRBDVAJPF-MAUKXSAKSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1OC ZINC001246783641 1104672157 /nfs/dbraw/zinc/67/21/57/1104672157.db2.gz CMPAHDRBDVAJPF-MAUKXSAKSA-N 2 1 320.477 3.302 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)c1 ZINC001246783273 1104672448 /nfs/dbraw/zinc/67/24/48/1104672448.db2.gz SPFCTHPNLMBQGV-SPYBWZPUSA-N 2 1 318.461 3.067 20 0 DGADMP C[N@@H+](CCOc1ccccc1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246782625 1104672473 /nfs/dbraw/zinc/67/24/73/1104672473.db2.gz UCDFXEMIKMIWLR-KRWDZBQOSA-N 2 1 302.462 3.452 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246784252 1104673190 /nfs/dbraw/zinc/67/31/90/1104673190.db2.gz WIBMVBFQHCYTEU-FDYSRKEFSA-N 2 1 314.473 3.370 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785666 1104674005 /nfs/dbraw/zinc/67/40/05/1104674005.db2.gz KWHDTFUBZMXFLL-FHWLQOOXSA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785666 1104674007 /nfs/dbraw/zinc/67/40/07/1104674007.db2.gz KWHDTFUBZMXFLL-FHWLQOOXSA-N 3 1 321.553 3.494 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246787568 1104675199 /nfs/dbraw/zinc/67/51/99/1104675199.db2.gz RKYYLLGDBRGIAE-XYJFISCASA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246787562 1104675407 /nfs/dbraw/zinc/67/54/07/1104675407.db2.gz RKYYLLGDBRGIAE-JFIYKMOQSA-N 2 1 302.462 3.367 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246794940 1104678896 /nfs/dbraw/zinc/67/88/96/1104678896.db2.gz GNTCKMRJHOMEFD-FAJBIJEISA-N 2 1 317.477 3.234 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804098 1104682525 /nfs/dbraw/zinc/68/25/25/1104682525.db2.gz LFTYZDZEPNVHFD-WBVHZDCISA-N 2 1 320.502 3.316 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804098 1104682528 /nfs/dbraw/zinc/68/25/28/1104682528.db2.gz LFTYZDZEPNVHFD-WBVHZDCISA-N 2 1 320.502 3.316 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246813341 1104686696 /nfs/dbraw/zinc/68/66/96/1104686696.db2.gz IIVFQOOAIRFHRP-RYUDHWBXSA-N 2 1 301.261 3.466 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246811952 1104687439 /nfs/dbraw/zinc/68/74/39/1104687439.db2.gz AVSXAVGXRCHCON-BCDXTJNWSA-N 2 1 304.478 3.479 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246814116 1104688371 /nfs/dbraw/zinc/68/83/71/1104688371.db2.gz NMVUVQXKOOFDQF-KRWDZBQOSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246814678 1104688747 /nfs/dbraw/zinc/68/87/47/1104688747.db2.gz RFCJUTDBZRQLGX-AEFFLSMTSA-N 2 1 304.478 3.336 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCc3ccc(Br)cc3C2)CC1 ZINC001246814572 1104688982 /nfs/dbraw/zinc/68/89/82/1104688982.db2.gz WGXVIZINYRHTGL-UHFFFAOYSA-N 2 1 323.278 3.338 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246815657 1104690462 /nfs/dbraw/zinc/69/04/62/1104690462.db2.gz ZUHDIYMKGFOWCT-PKOBYXMFSA-N 2 1 302.462 3.092 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001246828549 1104694892 /nfs/dbraw/zinc/69/48/92/1104694892.db2.gz CBMPXVZBLNUKKM-TZMCWYRMSA-N 2 1 300.368 3.493 20 0 DGADMP FC(F)(F)c1ccc([C@H]2CC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246829539 1104694947 /nfs/dbraw/zinc/69/49/47/1104694947.db2.gz LFVQJWOGNYKCPO-MPTYRVRUSA-N 2 1 324.390 3.493 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246838457 1104698880 /nfs/dbraw/zinc/69/88/80/1104698880.db2.gz CAJMTBKKMMSZQY-RDJZCZTQSA-N 2 1 320.477 3.063 20 0 DGADMP CC[C@H]1CC([N@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](CC)[NH2+]1 ZINC001246846067 1104705547 /nfs/dbraw/zinc/70/55/47/1104705547.db2.gz MRWAXIUDVVFGDU-GJZGRUSLSA-N 2 1 304.434 3.156 20 0 DGADMP CC[C@H]1CC([N@@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](CC)[NH2+]1 ZINC001246846067 1104705556 /nfs/dbraw/zinc/70/55/56/1104705556.db2.gz MRWAXIUDVVFGDU-GJZGRUSLSA-N 2 1 304.434 3.156 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246849283 1104706396 /nfs/dbraw/zinc/70/63/96/1104706396.db2.gz ZKWGRVRADKILSP-MGPQQGTHSA-N 2 1 310.894 3.362 20 0 DGADMP CCCCCC[C@H](CC)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856005 1104709607 /nfs/dbraw/zinc/70/96/07/1104709607.db2.gz RQCULNOOULTYMX-ZIFCJYIRSA-N 2 1 324.509 3.210 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853830 1104709676 /nfs/dbraw/zinc/70/96/76/1104709676.db2.gz NPEWEUBTSIMTIP-RBOXIYTFSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853830 1104709685 /nfs/dbraw/zinc/70/96/85/1104709685.db2.gz NPEWEUBTSIMTIP-RBOXIYTFSA-N 2 1 311.256 3.274 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2OC)C[C@H](CC)[NH2+]1 ZINC001246867389 1104714512 /nfs/dbraw/zinc/71/45/12/1104714512.db2.gz HRYGMPCSOJLUPT-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2OC)C[C@H](CC)[NH2+]1 ZINC001246867389 1104714521 /nfs/dbraw/zinc/71/45/21/1104714521.db2.gz HRYGMPCSOJLUPT-FVQHAEBGSA-N 2 1 320.477 3.445 20 0 DGADMP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246867723 1104714556 /nfs/dbraw/zinc/71/45/56/1104714556.db2.gz KGNOXEKLHXSSFJ-IAGOWNOFSA-N 2 1 322.493 3.092 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)CC1 ZINC001246871830 1104716142 /nfs/dbraw/zinc/71/61/42/1104716142.db2.gz NACJDFDWRWSDQE-ACBHZAAOSA-N 2 1 321.553 3.336 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874972 1104717104 /nfs/dbraw/zinc/71/71/04/1104717104.db2.gz LNYFQPNVTUFFNX-ZWKOTPCHSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC001246874972 1104717112 /nfs/dbraw/zinc/71/71/12/1104717112.db2.gz LNYFQPNVTUFFNX-ZWKOTPCHSA-N 2 1 318.461 3.216 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246880684 1104719883 /nfs/dbraw/zinc/71/98/83/1104719883.db2.gz KKPZSIKUFBOLDI-IXDOHACOSA-N 2 1 324.509 3.493 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246902401 1104728269 /nfs/dbraw/zinc/72/82/69/1104728269.db2.gz KKPZSIKUFBOLDI-YESZJQIVSA-N 2 1 324.509 3.493 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001246907617 1104732414 /nfs/dbraw/zinc/73/24/14/1104732414.db2.gz BUGAHSFUDAWDNI-GPANFISMSA-N 2 1 308.853 3.106 20 0 DGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246906769 1104732984 /nfs/dbraw/zinc/73/29/84/1104732984.db2.gz HBYHWXJFNDRHGF-UHFFFAOYSA-N 2 1 316.489 3.427 20 0 DGADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1Cl ZINC001275352843 1104734408 /nfs/dbraw/zinc/73/44/08/1104734408.db2.gz CFJWJIXENFWOFH-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1Cl ZINC001275352843 1104734411 /nfs/dbraw/zinc/73/44/11/1104734411.db2.gz CFJWJIXENFWOFH-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1Cl ZINC001275352843 1104734412 /nfs/dbraw/zinc/73/44/12/1104734412.db2.gz CFJWJIXENFWOFH-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920072 1104738402 /nfs/dbraw/zinc/73/84/02/1104738402.db2.gz IWPZNOPMESOANR-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H](Cc1cccnc1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920072 1104738410 /nfs/dbraw/zinc/73/84/10/1104738410.db2.gz IWPZNOPMESOANR-YLJYHZDGSA-N 2 1 309.457 3.267 20 0 DGADMP COCC[N@H+]([C@@H](C)CCc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928324 1104740194 /nfs/dbraw/zinc/74/01/94/1104740194.db2.gz KANWFIMNEMDBRQ-PKOBYXMFSA-N 2 1 304.478 3.017 20 0 DGADMP COCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246928324 1104740200 /nfs/dbraw/zinc/74/02/00/1104740200.db2.gz KANWFIMNEMDBRQ-PKOBYXMFSA-N 2 1 304.478 3.017 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933637 1104742396 /nfs/dbraw/zinc/74/23/96/1104742396.db2.gz HXZJRQDPEORDNG-CEXWTWQISA-N 2 1 320.452 3.337 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933637 1104742400 /nfs/dbraw/zinc/74/24/00/1104742400.db2.gz HXZJRQDPEORDNG-CEXWTWQISA-N 2 1 320.452 3.337 20 0 DGADMP c1nc2c(s1)C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)CC2 ZINC001246938072 1104745066 /nfs/dbraw/zinc/74/50/66/1104745066.db2.gz OPXICOPXBGUGMM-ZBFHGGJFSA-N 2 1 319.518 3.245 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246940134 1104745925 /nfs/dbraw/zinc/74/59/25/1104745925.db2.gz DFFRKPVWEKZVPR-MSOLQXFVSA-N 2 1 314.473 3.407 20 0 DGADMP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246942893 1104746223 /nfs/dbraw/zinc/74/62/23/1104746223.db2.gz RIJRYESPXCMRDW-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[C@@H]([N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CO1 ZINC001246946192 1104747082 /nfs/dbraw/zinc/74/70/82/1104747082.db2.gz JNFRLEDNBNIJKT-QGZVFWFLSA-N 2 1 322.880 3.462 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CO1 ZINC001246946192 1104747085 /nfs/dbraw/zinc/74/70/85/1104747085.db2.gz JNFRLEDNBNIJKT-QGZVFWFLSA-N 2 1 322.880 3.462 20 0 DGADMP Fc1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)ccn1 ZINC001275400525 1104747445 /nfs/dbraw/zinc/74/74/45/1104747445.db2.gz RYHKIXNHDGSTET-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](C(C)C)C1)CCC2 ZINC001246946244 1104747609 /nfs/dbraw/zinc/74/76/09/1104747609.db2.gz OLDHEKZIMRVWAI-MJGOQNOKSA-N 2 1 302.462 3.220 20 0 DGADMP Cc1cc(F)cc(C[N@H+]([C@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c1 ZINC001246952838 1104751472 /nfs/dbraw/zinc/75/14/72/1104751472.db2.gz XPRZHBSOPNVJHM-GOSISDBHSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]([C@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c1 ZINC001246952838 1104751477 /nfs/dbraw/zinc/75/14/77/1104751477.db2.gz XPRZHBSOPNVJHM-GOSISDBHSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246961813 1104752220 /nfs/dbraw/zinc/75/22/20/1104752220.db2.gz AYSHVSKJJZXXOB-KZNAEPCWSA-N 2 1 317.477 3.010 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246962697 1104752418 /nfs/dbraw/zinc/75/24/18/1104752418.db2.gz DCBQZCSQNQAFKE-FHWLQOOXSA-N 3 1 319.537 3.281 20 0 DGADMP Cc1ccc(C[N@H+]([C@@H]2CCSC2)C2CC[NH2+]CC2)c(F)c1 ZINC001246961221 1104752553 /nfs/dbraw/zinc/75/25/53/1104752553.db2.gz JPGBELQAVRQJRU-MRXNPFEDSA-N 2 1 308.466 3.194 20 0 DGADMP Cc1ccc(C[N@@H+]([C@@H]2CCSC2)C2CC[NH2+]CC2)c(F)c1 ZINC001246961221 1104752558 /nfs/dbraw/zinc/75/25/58/1104752558.db2.gz JPGBELQAVRQJRU-MRXNPFEDSA-N 2 1 308.466 3.194 20 0 DGADMP COc1cccc([C@H]2CSCC[N@@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246963339 1104754272 /nfs/dbraw/zinc/75/42/72/1104754272.db2.gz AENJULUMHXLVAN-CXHZTBPHSA-N 2 1 320.502 3.314 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246963339 1104754280 /nfs/dbraw/zinc/75/42/80/1104754280.db2.gz AENJULUMHXLVAN-CXHZTBPHSA-N 2 1 320.502 3.314 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2C2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246963341 1104754430 /nfs/dbraw/zinc/75/44/30/1104754430.db2.gz AENJULUMHXLVAN-DEYYWGMASA-N 2 1 320.502 3.314 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2C2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246963341 1104754437 /nfs/dbraw/zinc/75/44/37/1104754437.db2.gz AENJULUMHXLVAN-DEYYWGMASA-N 2 1 320.502 3.314 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246970172 1104754877 /nfs/dbraw/zinc/75/48/77/1104754877.db2.gz SRCWLTMZZGFVHI-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970678 1104755517 /nfs/dbraw/zinc/75/55/17/1104755517.db2.gz BIISBNDYMCSLES-CXAGYDPISA-N 2 1 320.427 3.286 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246973155 1104756174 /nfs/dbraw/zinc/75/61/74/1104756174.db2.gz GGXZXYWYOAXCRY-IBGZPJMESA-N 2 1 302.437 3.290 20 0 DGADMP c1ccc([C@H]2C[C@@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974979 1104758029 /nfs/dbraw/zinc/75/80/29/1104758029.db2.gz LMEWEFDGNGALRP-VQTJNVASSA-N 2 1 313.489 3.086 20 0 DGADMP c1ccc([C@H]2C[C@@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974979 1104758034 /nfs/dbraw/zinc/75/80/34/1104758034.db2.gz LMEWEFDGNGALRP-VQTJNVASSA-N 2 1 313.489 3.086 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976847 1104759967 /nfs/dbraw/zinc/75/99/67/1104759967.db2.gz YIIUFGJLORBSKG-SQNIBIBYSA-N 2 1 317.477 3.154 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976847 1104759970 /nfs/dbraw/zinc/75/99/70/1104759970.db2.gz YIIUFGJLORBSKG-SQNIBIBYSA-N 2 1 317.477 3.154 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246979310 1104760615 /nfs/dbraw/zinc/76/06/15/1104760615.db2.gz OLQLCGHLJFSBMQ-VQIMIIECSA-N 2 1 316.445 3.160 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CO2 ZINC001246979676 1104760951 /nfs/dbraw/zinc/76/09/51/1104760951.db2.gz ZDJGZEYMDHYDQK-KRWDZBQOSA-N 2 1 320.864 3.250 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246979688 1104761323 /nfs/dbraw/zinc/76/13/23/1104761323.db2.gz ZMGQBCNOCAHVFK-QGZVFWFLSA-N 2 1 320.427 3.429 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CC(C)(C)C1 ZINC001246988458 1104765325 /nfs/dbraw/zinc/76/53/25/1104765325.db2.gz HLQBQVVAEPMHKK-APWZRJJASA-N 2 1 321.553 3.349 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C2)n1 ZINC001246988302 1104765536 /nfs/dbraw/zinc/76/55/36/1104765536.db2.gz GAXLAAMSHAGTNF-KZNAEPCWSA-N 2 1 317.477 3.010 20 0 DGADMP C[N@@H+](Cc1cccc2c1OCO2)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246993744 1104767614 /nfs/dbraw/zinc/76/76/14/1104767614.db2.gz MUMHRYRVPCSIRE-UHFFFAOYSA-N 2 1 316.445 3.160 20 0 DGADMP COC1CCC([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CC1 ZINC001247001485 1104771616 /nfs/dbraw/zinc/77/16/16/1104771616.db2.gz JBCPTKFXPCZVHA-UHFFFAOYSA-N 2 1 314.473 3.081 20 0 DGADMP C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001247000960 1104771704 /nfs/dbraw/zinc/77/17/04/1104771704.db2.gz OSDFBVZZYIMHJV-HSALFYBXSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001247000960 1104771705 /nfs/dbraw/zinc/77/17/05/1104771705.db2.gz OSDFBVZZYIMHJV-HSALFYBXSA-N 2 1 322.452 3.415 20 0 DGADMP Fc1cc2c(cc1F)C[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001247006923 1104773670 /nfs/dbraw/zinc/77/36/70/1104773670.db2.gz XSUVHDCBDJCYBV-MAUKXSAKSA-N 2 1 306.400 3.245 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1Cc3ccccc3C13CC[NH2+]CC3)C2 ZINC001247007709 1104774151 /nfs/dbraw/zinc/77/41/51/1104774151.db2.gz GSAHQARISMRQPF-KRWDZBQOSA-N 2 1 322.427 3.387 20 0 DGADMP C[C@H]1CC([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C[C@H](C)O1 ZINC001247007535 1104774226 /nfs/dbraw/zinc/77/42/26/1104774226.db2.gz XOEBQGJJQOLTRH-HOTGVXAUSA-N 2 1 314.473 3.079 20 0 DGADMP Fc1cc2c(cc1F)C[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001247006931 1104774288 /nfs/dbraw/zinc/77/42/88/1104774288.db2.gz XSUVHDCBDJCYBV-YJBOKZPZSA-N 2 1 306.400 3.245 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247005657 1104774660 /nfs/dbraw/zinc/77/46/60/1104774660.db2.gz RBHVNVJQLUUQBX-QGZVFWFLSA-N 2 1 321.468 3.150 20 0 DGADMP CCCCCC[C@@H](CC)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247010892 1104775462 /nfs/dbraw/zinc/77/54/62/1104775462.db2.gz WLMYMFLWWDGGEJ-IAGOWNOFSA-N 2 1 324.509 3.210 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008925 1104775692 /nfs/dbraw/zinc/77/56/92/1104775692.db2.gz ZJMHZRFAZGDSTL-SZXPJGKVSA-N 2 1 319.880 3.454 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008925 1104775699 /nfs/dbraw/zinc/77/56/99/1104775699.db2.gz ZJMHZRFAZGDSTL-SZXPJGKVSA-N 2 1 319.880 3.454 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001275821391 1104921741 /nfs/dbraw/zinc/92/17/41/1104921741.db2.gz PDIAHFNUZPFPHA-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001275821391 1104921748 /nfs/dbraw/zinc/92/17/48/1104921748.db2.gz PDIAHFNUZPFPHA-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001275821391 1104921753 /nfs/dbraw/zinc/92/17/53/1104921753.db2.gz PDIAHFNUZPFPHA-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001275841569 1104929001 /nfs/dbraw/zinc/92/90/01/1104929001.db2.gz XLPIYUMKCMGMHO-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]3CC2)c1 ZINC001275866862 1104938530 /nfs/dbraw/zinc/93/85/30/1104938530.db2.gz UWBYAGFISOANFE-CALCHBBNSA-N 2 1 315.486 3.420 20 0 DGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccsc4)C[C@H]3CC2)c1 ZINC001275866862 1104938534 /nfs/dbraw/zinc/93/85/34/1104938534.db2.gz UWBYAGFISOANFE-CALCHBBNSA-N 2 1 315.486 3.420 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccsc4)C[C@H]3CC2)c1 ZINC001275866862 1104938537 /nfs/dbraw/zinc/93/85/37/1104938537.db2.gz UWBYAGFISOANFE-CALCHBBNSA-N 2 1 315.486 3.420 20 0 DGADMP Cc1nccn1-c1ccccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001275895914 1104946766 /nfs/dbraw/zinc/94/67/66/1104946766.db2.gz ZBPRSTNNXXQWMN-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247693728 1104957669 /nfs/dbraw/zinc/95/76/69/1104957669.db2.gz TVODGGLAZYKHKG-AWEZNQCLSA-N 2 1 302.422 3.163 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001247696964 1104958924 /nfs/dbraw/zinc/95/89/24/1104958924.db2.gz AZVVCCWRESLCHJ-LLVKDONJSA-N 2 1 315.204 3.172 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001247698914 1104958944 /nfs/dbraw/zinc/95/89/44/1104958944.db2.gz QHMOEHWXMLYDBP-OAHLLOKOSA-N 2 1 314.364 3.158 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001275960568 1104968330 /nfs/dbraw/zinc/96/83/30/1104968330.db2.gz ZLUODQMGAUGDDG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001275960568 1104968336 /nfs/dbraw/zinc/96/83/36/1104968336.db2.gz ZLUODQMGAUGDDG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001275960568 1104968341 /nfs/dbraw/zinc/96/83/41/1104968341.db2.gz ZLUODQMGAUGDDG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001275960568 1104968346 /nfs/dbraw/zinc/96/83/46/1104968346.db2.gz ZLUODQMGAUGDDG-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1C ZINC001276033129 1104992330 /nfs/dbraw/zinc/99/23/30/1104992330.db2.gz QXPHKUZAAHGRSO-IYQPLWERSA-N 2 1 305.491 3.193 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]1C ZINC001276033129 1104992335 /nfs/dbraw/zinc/99/23/35/1104992335.db2.gz QXPHKUZAAHGRSO-IYQPLWERSA-N 2 1 305.491 3.193 20 0 DGADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276077823 1105009681 /nfs/dbraw/zinc/00/96/81/1105009681.db2.gz IIJAOZXOKPQAQQ-IBGZPJMESA-N 2 1 312.461 3.179 20 0 DGADMP Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276077823 1105009688 /nfs/dbraw/zinc/00/96/88/1105009688.db2.gz IIJAOZXOKPQAQQ-IBGZPJMESA-N 2 1 312.461 3.179 20 0 DGADMP Cc1[nH]c2ncccc2c1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276077823 1105009694 /nfs/dbraw/zinc/00/96/94/1105009694.db2.gz IIJAOZXOKPQAQQ-IBGZPJMESA-N 2 1 312.461 3.179 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(N4CCCC4)c3)C[C@H]2CC1 ZINC001276157624 1105033337 /nfs/dbraw/zinc/03/33/37/1105033337.db2.gz NONLDYBROZUBGQ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(N4CCCC4)c3)C[C@H]2CC1 ZINC001276157624 1105033340 /nfs/dbraw/zinc/03/33/40/1105033340.db2.gz NONLDYBROZUBGQ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(N4CCCC4)c3)C[C@H]2CC1 ZINC001276157624 1105033345 /nfs/dbraw/zinc/03/33/45/1105033345.db2.gz NONLDYBROZUBGQ-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP C[N@H+](Cc1cccc(N)n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719932158 1105039845 /nfs/dbraw/zinc/03/98/45/1105039845.db2.gz HEFPSUDVWVFOHE-UHFFFAOYSA-N 2 1 324.472 3.008 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276206944 1105047566 /nfs/dbraw/zinc/04/75/66/1105047566.db2.gz QEPAVBRZXRGJNT-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP CCCCc1nc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c[nH]1 ZINC001276216207 1105051423 /nfs/dbraw/zinc/05/14/23/1105051423.db2.gz ZBJPWKUWSGLFKG-SFHVURJKSA-N 2 1 304.482 3.060 20 0 DGADMP CCCCc1ncc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)[nH]1 ZINC001276216207 1105051426 /nfs/dbraw/zinc/05/14/26/1105051426.db2.gz ZBJPWKUWSGLFKG-SFHVURJKSA-N 2 1 304.482 3.060 20 0 DGADMP Cc1cnccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276255706 1105064108 /nfs/dbraw/zinc/06/41/08/1105064108.db2.gz CKTOYNXJUZCPPE-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276255706 1105064115 /nfs/dbraw/zinc/06/41/15/1105064115.db2.gz CKTOYNXJUZCPPE-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276255706 1105064123 /nfs/dbraw/zinc/06/41/23/1105064123.db2.gz CKTOYNXJUZCPPE-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cccnc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276258195 1105064908 /nfs/dbraw/zinc/06/49/08/1105064908.db2.gz WSCOVRKBLVPPGT-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP Cc1cc(F)c(F)c(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1 ZINC001248195392 1105066125 /nfs/dbraw/zinc/06/61/25/1105066125.db2.gz XZHQJBZFUMPBFP-ZDUSSCGKSA-N 2 1 324.375 3.055 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)cs1 ZINC001248801979 1105165122 /nfs/dbraw/zinc/16/51/22/1105165122.db2.gz ORWDDWYUNXFGQN-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc4ccccc4c3Cl)C[C@@H]2C1 ZINC001248810941 1105168496 /nfs/dbraw/zinc/16/84/96/1105168496.db2.gz DNQGLRZKMPIQTB-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc4ccccc4c3Cl)C[C@@H]2C1 ZINC001248810941 1105168499 /nfs/dbraw/zinc/16/84/99/1105168499.db2.gz DNQGLRZKMPIQTB-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3Cl)C[C@@H]2C1 ZINC001248810941 1105168501 /nfs/dbraw/zinc/16/85/01/1105168501.db2.gz DNQGLRZKMPIQTB-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3Cl)C[C@@H]2C1 ZINC001248810941 1105168504 /nfs/dbraw/zinc/16/85/04/1105168504.db2.gz DNQGLRZKMPIQTB-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)[nH]c2c1 ZINC001248843622 1105177417 /nfs/dbraw/zinc/17/74/17/1105177417.db2.gz UPDHFONSSZWXMO-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2cccc3ccccc32)no1 ZINC001248898597 1105189077 /nfs/dbraw/zinc/18/90/77/1105189077.db2.gz MAECVTYBKQDTBI-QGZVFWFLSA-N 2 1 322.412 3.279 20 0 DGADMP Cc1cc(Nc2ccc(OCCC[NH+](C)C)cc2)c[nH+]c1N ZINC001249785104 1105379905 /nfs/dbraw/zinc/37/99/05/1105379905.db2.gz XWJKIGHMSPXTTA-UHFFFAOYSA-N 2 1 300.406 3.046 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4ccc(F)cc34)C2)CC1 ZINC001137341199 1105490869 /nfs/dbraw/zinc/49/08/69/1105490869.db2.gz CDPZUZXRZZAKRE-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP CN1CCC([N@@H+](Cc2n[nH]c3ccccc32)C2CCCC2)CC1 ZINC001137351666 1105496336 /nfs/dbraw/zinc/49/63/36/1105496336.db2.gz GEFMRBZVWYVYBA-UHFFFAOYSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H](n2cc(C[NH3+])c3ccc(Br)cc32)C1 ZINC001255474436 1105550329 /nfs/dbraw/zinc/55/03/29/1105550329.db2.gz FKSLMGVISIBGPZ-ZDUSSCGKSA-N 2 1 322.250 3.129 20 0 DGADMP CCCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252088356 1105735956 /nfs/dbraw/zinc/73/59/56/1105735956.db2.gz LCMMNRGJOPLHAO-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252088356 1105735959 /nfs/dbraw/zinc/73/59/59/1105735959.db2.gz LCMMNRGJOPLHAO-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252088356 1105735961 /nfs/dbraw/zinc/73/59/61/1105735961.db2.gz LCMMNRGJOPLHAO-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252108123 1105740815 /nfs/dbraw/zinc/74/08/15/1105740815.db2.gz KOHGVDMVZHIMPO-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252108123 1105740820 /nfs/dbraw/zinc/74/08/20/1105740820.db2.gz KOHGVDMVZHIMPO-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CC[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917866 1105855853 /nfs/dbraw/zinc/85/58/53/1105855853.db2.gz ZYZRNFSLQLTPGI-FQEVSTJZSA-N 2 1 316.489 3.278 20 0 DGADMP CC[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917866 1105855858 /nfs/dbraw/zinc/85/58/58/1105855858.db2.gz ZYZRNFSLQLTPGI-FQEVSTJZSA-N 2 1 316.489 3.278 20 0 DGADMP CC[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917866 1105855865 /nfs/dbraw/zinc/85/58/65/1105855865.db2.gz ZYZRNFSLQLTPGI-FQEVSTJZSA-N 2 1 316.489 3.278 20 0 DGADMP CC[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917866 1105855870 /nfs/dbraw/zinc/85/58/70/1105855870.db2.gz ZYZRNFSLQLTPGI-FQEVSTJZSA-N 2 1 316.489 3.278 20 0 DGADMP CC(C)(C)CC(C)(C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945809 1105857981 /nfs/dbraw/zinc/85/79/81/1105857981.db2.gz IVYKILOAMGPFTO-FQEVSTJZSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)(C)CC(C)(C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945809 1105857988 /nfs/dbraw/zinc/85/79/88/1105857988.db2.gz IVYKILOAMGPFTO-FQEVSTJZSA-N 2 1 318.505 3.428 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001253175541 1105899173 /nfs/dbraw/zinc/89/91/73/1105899173.db2.gz ONLUABRQWISFPV-LJQANCHMSA-N 2 1 312.457 3.146 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC001253214164 1105904668 /nfs/dbraw/zinc/90/46/68/1105904668.db2.gz NYPUFKMWJTUNIC-VQIMIIECSA-N 2 1 306.494 3.238 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001253393967 1105933559 /nfs/dbraw/zinc/93/35/59/1105933559.db2.gz AIKAMDWSUVUBKB-ZWKOTPCHSA-N 2 1 304.478 3.005 20 0 DGADMP OC1(C[N@H+]2CCC23CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001254034793 1106011275 /nfs/dbraw/zinc/01/12/75/1106011275.db2.gz HYQDORWHCFCMFX-UHFFFAOYSA-N 2 1 314.473 3.032 20 0 DGADMP C[C@@H]1CC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001254039017 1106012213 /nfs/dbraw/zinc/01/22/13/1106012213.db2.gz WFINWUWBDAYPOA-QZTJIDSGSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](CC1CCCC1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040735 1106012293 /nfs/dbraw/zinc/01/22/93/1106012293.db2.gz WZKBEDZXRQBBQD-UHFFFAOYSA-N 2 1 316.489 3.136 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)C2CCC3(CC3)CC2)nc(C)[nH+]1 ZINC001254448990 1106073783 /nfs/dbraw/zinc/07/37/83/1106073783.db2.gz GWLZFOAFWLWKTG-UHFFFAOYSA-N 2 1 314.477 3.375 20 0 DGADMP [NH3+]C1(c2cccnc2)CC[NH+](C2CCc3ccccc3CC2)CC1 ZINC001254454463 1106074958 /nfs/dbraw/zinc/07/49/58/1106074958.db2.gz WXBQWWWYDMIYBG-UHFFFAOYSA-N 2 1 321.468 3.279 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001254485931 1106079758 /nfs/dbraw/zinc/07/97/58/1106079758.db2.gz NZLFMUPRBNLSLF-ROUUACIJSA-N 2 1 320.477 3.048 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001254499637 1106083023 /nfs/dbraw/zinc/08/30/23/1106083023.db2.gz LPFIDAWZRWGWHI-CYBMUJFWSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001254499700 1106083647 /nfs/dbraw/zinc/08/36/47/1106083647.db2.gz NVDWAALIFNEVJY-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001254499700 1106083651 /nfs/dbraw/zinc/08/36/51/1106083651.db2.gz NVDWAALIFNEVJY-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001254502889 1106085278 /nfs/dbraw/zinc/08/52/78/1106085278.db2.gz JUXVKJSOJWWETF-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001254502889 1106085284 /nfs/dbraw/zinc/08/52/84/1106085284.db2.gz JUXVKJSOJWWETF-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254507573 1106086470 /nfs/dbraw/zinc/08/64/70/1106086470.db2.gz CIVSILPCGAEDPG-HXUWFJFHSA-N 3 1 321.553 3.353 20 0 DGADMP CN1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254507573 1106086477 /nfs/dbraw/zinc/08/64/77/1106086477.db2.gz CIVSILPCGAEDPG-HXUWFJFHSA-N 2 1 321.553 3.353 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001254515109 1106088778 /nfs/dbraw/zinc/08/87/78/1106088778.db2.gz SXPNUBZQOZAAKU-JYJNAYRXSA-N 2 1 323.278 3.379 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001254513540 1106088883 /nfs/dbraw/zinc/08/88/83/1106088883.db2.gz DBQYFQDNOCMUOI-WFASDCNBSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001254513540 1106088888 /nfs/dbraw/zinc/08/88/88/1106088888.db2.gz DBQYFQDNOCMUOI-WFASDCNBSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001254515954 1106089170 /nfs/dbraw/zinc/08/91/70/1106089170.db2.gz HJWVCHIWFZSXJQ-GOSISDBHSA-N 2 1 300.446 3.066 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001254515954 1106089175 /nfs/dbraw/zinc/08/91/75/1106089175.db2.gz HJWVCHIWFZSXJQ-GOSISDBHSA-N 2 1 300.446 3.066 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254522195 1106090656 /nfs/dbraw/zinc/09/06/56/1106090656.db2.gz DOEQQTFSCCMDPU-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254522195 1106090659 /nfs/dbraw/zinc/09/06/59/1106090659.db2.gz DOEQQTFSCCMDPU-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254522195 1106090663 /nfs/dbraw/zinc/09/06/63/1106090663.db2.gz DOEQQTFSCCMDPU-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254524399 1106092448 /nfs/dbraw/zinc/09/24/48/1106092448.db2.gz WLFOBKQDQWMMSV-ZWKOTPCHSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524399 1106092455 /nfs/dbraw/zinc/09/24/55/1106092455.db2.gz WLFOBKQDQWMMSV-ZWKOTPCHSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524399 1106092458 /nfs/dbraw/zinc/09/24/58/1106092458.db2.gz WLFOBKQDQWMMSV-ZWKOTPCHSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@H+](C)CC2)n1 ZINC001254528907 1106095235 /nfs/dbraw/zinc/09/52/35/1106095235.db2.gz JHSADPOHRRYXQS-AEFFLSMTSA-N 2 1 312.461 3.391 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@@H+](C)CC2)n1 ZINC001254528907 1106095237 /nfs/dbraw/zinc/09/52/37/1106095237.db2.gz JHSADPOHRRYXQS-AEFFLSMTSA-N 2 1 312.461 3.391 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254532839 1106095943 /nfs/dbraw/zinc/09/59/43/1106095943.db2.gz XUMDPXIJRKZEJL-JKSUJKDBSA-N 2 1 320.502 3.346 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532839 1106095951 /nfs/dbraw/zinc/09/59/51/1106095951.db2.gz XUMDPXIJRKZEJL-JKSUJKDBSA-N 2 1 320.502 3.346 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532839 1106095957 /nfs/dbraw/zinc/09/59/57/1106095957.db2.gz XUMDPXIJRKZEJL-JKSUJKDBSA-N 2 1 320.502 3.346 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001254533452 1106096912 /nfs/dbraw/zinc/09/69/12/1106096912.db2.gz KTDQWXJMUHQIJZ-INIZCTEOSA-N 2 1 312.461 3.158 20 0 DGADMP COc1cccc(C2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254532812 1106096991 /nfs/dbraw/zinc/09/69/91/1106096991.db2.gz XLQWTNZVYMFHFJ-GOSISDBHSA-N 2 1 302.462 3.359 20 0 DGADMP [NH2+]=C(N[C@H]1CC2CC[NH+](CC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001254837203 1106146521 /nfs/dbraw/zinc/14/65/21/1106146521.db2.gz SLDFXFQRVXBMMS-WCWCZOKXSA-N 2 1 301.478 3.254 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254847556 1106148091 /nfs/dbraw/zinc/14/80/91/1106148091.db2.gz GDLNOMBKCBHUKD-VAMGGRTRSA-N 2 1 319.537 3.233 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001256563462 1106157650 /nfs/dbraw/zinc/15/76/50/1106157650.db2.gz BZLSSHBYKDZERU-UHFFFAOYSA-N 3 1 309.542 3.490 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCSCC2)CC1 ZINC001255088260 1106176280 /nfs/dbraw/zinc/17/62/80/1106176280.db2.gz ZKHXAGKKTZCYIU-KOMQPUFPSA-N 2 1 305.491 3.049 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001255107925 1106181527 /nfs/dbraw/zinc/18/15/27/1106181527.db2.gz KJIQXBCDJHWINR-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001255107925 1106181532 /nfs/dbraw/zinc/18/15/32/1106181532.db2.gz KJIQXBCDJHWINR-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255107925 1106181537 /nfs/dbraw/zinc/18/15/37/1106181537.db2.gz KJIQXBCDJHWINR-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255107925 1106181542 /nfs/dbraw/zinc/18/15/42/1106181542.db2.gz KJIQXBCDJHWINR-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP COC[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136354 1106188374 /nfs/dbraw/zinc/18/83/74/1106188374.db2.gz JZMHOOFMHGUGBG-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136354 1106188377 /nfs/dbraw/zinc/18/83/77/1106188377.db2.gz JZMHOOFMHGUGBG-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136354 1106188379 /nfs/dbraw/zinc/18/83/79/1106188379.db2.gz JZMHOOFMHGUGBG-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136354 1106188382 /nfs/dbraw/zinc/18/83/82/1106188382.db2.gz JZMHOOFMHGUGBG-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@H]1CCSC1)CC2 ZINC001255285346 1106215829 /nfs/dbraw/zinc/21/58/29/1106215829.db2.gz NCAAUENALFJCMC-DOTOQJQBSA-N 2 1 320.502 3.462 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255291976 1106216384 /nfs/dbraw/zinc/21/63/84/1106216384.db2.gz CAOYDJVVTFSQSV-QGZVFWFLSA-N 2 1 308.466 3.227 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255291976 1106216388 /nfs/dbraw/zinc/21/63/88/1106216388.db2.gz CAOYDJVVTFSQSV-QGZVFWFLSA-N 2 1 308.466 3.227 20 0 DGADMP CCCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001255326067 1106222809 /nfs/dbraw/zinc/22/28/09/1106222809.db2.gz NCTXGLQDDAMUHQ-QGZVFWFLSA-N 2 1 318.509 3.429 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001255339006 1106226477 /nfs/dbraw/zinc/22/64/77/1106226477.db2.gz LAVDLRAKQWDACV-XDNAFOTISA-N 2 1 324.509 3.066 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350506 1106229611 /nfs/dbraw/zinc/22/96/11/1106229611.db2.gz UUHUIJCEGAIFGT-LAQRGFTBSA-N 2 1 322.493 3.233 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383984 1106237658 /nfs/dbraw/zinc/23/76/58/1106237658.db2.gz RBNOMGHLGPIRFQ-PMACEKPBSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383984 1106237663 /nfs/dbraw/zinc/23/76/63/1106237663.db2.gz RBNOMGHLGPIRFQ-PMACEKPBSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383984 1106237669 /nfs/dbraw/zinc/23/76/69/1106237669.db2.gz RBNOMGHLGPIRFQ-PMACEKPBSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383984 1106237674 /nfs/dbraw/zinc/23/76/74/1106237674.db2.gz RBNOMGHLGPIRFQ-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383984 1106237679 /nfs/dbraw/zinc/23/76/79/1106237679.db2.gz RBNOMGHLGPIRFQ-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383984 1106237682 /nfs/dbraw/zinc/23/76/82/1106237682.db2.gz RBNOMGHLGPIRFQ-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383984 1106237687 /nfs/dbraw/zinc/23/76/87/1106237687.db2.gz RBNOMGHLGPIRFQ-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CCCN(CCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383347 1106237953 /nfs/dbraw/zinc/23/79/53/1106237953.db2.gz HWIRRFMHPYNDKS-IBGZPJMESA-N 2 1 303.494 3.102 20 0 DGADMP CCC[N@H+](CCC[NH3+])[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383347 1106237954 /nfs/dbraw/zinc/23/79/54/1106237954.db2.gz HWIRRFMHPYNDKS-IBGZPJMESA-N 3 1 303.494 3.102 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383347 1106237955 /nfs/dbraw/zinc/23/79/55/1106237955.db2.gz HWIRRFMHPYNDKS-IBGZPJMESA-N 3 1 303.494 3.102 20 0 DGADMP CCC[NH+](CCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383347 1106237956 /nfs/dbraw/zinc/23/79/56/1106237956.db2.gz HWIRRFMHPYNDKS-IBGZPJMESA-N 3 1 303.494 3.102 20 0 DGADMP CCC[NH+](CCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383347 1106237957 /nfs/dbraw/zinc/23/79/57/1106237957.db2.gz HWIRRFMHPYNDKS-IBGZPJMESA-N 3 1 303.494 3.102 20 0 DGADMP CC(C)N(CCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384526 1106238487 /nfs/dbraw/zinc/23/84/87/1106238487.db2.gz YVGMWOYWUWHTJF-LJQANCHMSA-N 2 1 303.494 3.100 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255384526 1106238490 /nfs/dbraw/zinc/23/84/90/1106238490.db2.gz YVGMWOYWUWHTJF-LJQANCHMSA-N 3 1 303.494 3.100 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255384526 1106238494 /nfs/dbraw/zinc/23/84/94/1106238494.db2.gz YVGMWOYWUWHTJF-LJQANCHMSA-N 3 1 303.494 3.100 20 0 DGADMP CC(C)[NH+](CCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384526 1106238498 /nfs/dbraw/zinc/23/84/98/1106238498.db2.gz YVGMWOYWUWHTJF-LJQANCHMSA-N 3 1 303.494 3.100 20 0 DGADMP CC(C)[NH+](CCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384526 1106238502 /nfs/dbraw/zinc/23/85/02/1106238502.db2.gz YVGMWOYWUWHTJF-LJQANCHMSA-N 3 1 303.494 3.100 20 0 DGADMP [NH3+]Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386980 1106238640 /nfs/dbraw/zinc/23/86/40/1106238640.db2.gz DLUZHOSBXAWCOQ-OAQYLSRUSA-N 2 1 323.484 3.290 20 0 DGADMP [NH3+]Cc1ccccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255386980 1106238644 /nfs/dbraw/zinc/23/86/44/1106238644.db2.gz DLUZHOSBXAWCOQ-OAQYLSRUSA-N 2 1 323.484 3.290 20 0 DGADMP [NH3+]Cc1ccccc1CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255386980 1106238646 /nfs/dbraw/zinc/23/86/46/1106238646.db2.gz DLUZHOSBXAWCOQ-OAQYLSRUSA-N 2 1 323.484 3.290 20 0 DGADMP [NH3+]Cc1ccccc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386980 1106238650 /nfs/dbraw/zinc/23/86/50/1106238650.db2.gz DLUZHOSBXAWCOQ-OAQYLSRUSA-N 2 1 323.484 3.290 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389359 1106239079 /nfs/dbraw/zinc/23/90/79/1106239079.db2.gz LTSDKVNDZJWNBA-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255392195 1106239346 /nfs/dbraw/zinc/23/93/46/1106239346.db2.gz GRZLCKGGUQFGOS-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP [NH3+]Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255389752 1106239537 /nfs/dbraw/zinc/23/95/37/1106239537.db2.gz SATKDVAJHBWVQW-KRWDZBQOSA-N 2 1 310.445 3.007 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255390011 1106239802 /nfs/dbraw/zinc/23/98/02/1106239802.db2.gz WNNXKUSUXBPTIH-MSOLQXFVSA-N 2 1 300.446 3.142 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390011 1106239804 /nfs/dbraw/zinc/23/98/04/1106239804.db2.gz WNNXKUSUXBPTIH-MSOLQXFVSA-N 2 1 300.446 3.142 20 0 DGADMP CC(=O)CC(C)(C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389480 1106239848 /nfs/dbraw/zinc/23/98/48/1106239848.db2.gz NAIKIAPJCCGUQV-SFHVURJKSA-N 2 1 302.462 3.388 20 0 DGADMP CC(=O)CC(C)(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389480 1106239851 /nfs/dbraw/zinc/23/98/51/1106239851.db2.gz NAIKIAPJCCGUQV-SFHVURJKSA-N 2 1 302.462 3.388 20 0 DGADMP C[NH+](C)CCC(C)(C)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255394603 1106240633 /nfs/dbraw/zinc/24/06/33/1106240633.db2.gz WIHCOJBGJSFYSA-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255396741 1106241224 /nfs/dbraw/zinc/24/12/24/1106241224.db2.gz BJOPDCZBYZICTM-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255396741 1106241230 /nfs/dbraw/zinc/24/12/30/1106241230.db2.gz BJOPDCZBYZICTM-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396741 1106241233 /nfs/dbraw/zinc/24/12/33/1106241233.db2.gz BJOPDCZBYZICTM-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP [NH3+]CCCc1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255395763 1106241642 /nfs/dbraw/zinc/24/16/42/1106241642.db2.gz CSXVOFXYFMCMAU-SFHVURJKSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@]1(C)O ZINC001255398992 1106243540 /nfs/dbraw/zinc/24/35/40/1106243540.db2.gz NUDONLHULQCHOR-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@]1(C)O ZINC001255398992 1106243543 /nfs/dbraw/zinc/24/35/43/1106243543.db2.gz NUDONLHULQCHOR-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@]1(C)O ZINC001255398992 1106243547 /nfs/dbraw/zinc/24/35/47/1106243547.db2.gz NUDONLHULQCHOR-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404554 1106244637 /nfs/dbraw/zinc/24/46/37/1106244637.db2.gz KCXGRCKKLVEEDZ-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404554 1106244641 /nfs/dbraw/zinc/24/46/41/1106244641.db2.gz KCXGRCKKLVEEDZ-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404554 1106244646 /nfs/dbraw/zinc/24/46/46/1106244646.db2.gz KCXGRCKKLVEEDZ-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404554 1106244648 /nfs/dbraw/zinc/24/46/48/1106244648.db2.gz KCXGRCKKLVEEDZ-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP OCC[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255405022 1106245011 /nfs/dbraw/zinc/24/50/11/1106245011.db2.gz MIAUBIXSZOUEST-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255405022 1106245012 /nfs/dbraw/zinc/24/50/12/1106245012.db2.gz MIAUBIXSZOUEST-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255405022 1106245015 /nfs/dbraw/zinc/24/50/15/1106245015.db2.gz MIAUBIXSZOUEST-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC(C)[C@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408686 1106247041 /nfs/dbraw/zinc/24/70/41/1106247041.db2.gz PHIUTIRTXPXGHE-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408686 1106247044 /nfs/dbraw/zinc/24/70/44/1106247044.db2.gz PHIUTIRTXPXGHE-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408686 1106247048 /nfs/dbraw/zinc/24/70/48/1106247048.db2.gz PHIUTIRTXPXGHE-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408686 1106247051 /nfs/dbraw/zinc/24/70/51/1106247051.db2.gz PHIUTIRTXPXGHE-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC(C)(C)C1 ZINC001255545331 1106267174 /nfs/dbraw/zinc/26/71/74/1106267174.db2.gz GQQZRLFAIWDDJC-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC(C)(C)C1 ZINC001255545331 1106267177 /nfs/dbraw/zinc/26/71/77/1106267177.db2.gz GQQZRLFAIWDDJC-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC(C)(C)C1 ZINC001255545331 1106267179 /nfs/dbraw/zinc/26/71/79/1106267179.db2.gz GQQZRLFAIWDDJC-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H](C)[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001255583858 1106273785 /nfs/dbraw/zinc/27/37/85/1106273785.db2.gz SIOPRHBAZCZTEN-SFHVURJKSA-N 2 1 316.489 3.400 20 0 DGADMP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)CC(F)(F)F)CC2)c1 ZINC001255644020 1106283064 /nfs/dbraw/zinc/28/30/64/1106283064.db2.gz JQHHWBHTORFWTO-GFCCVEGCSA-N 2 1 316.367 3.286 20 0 DGADMP C[C@H](CC(F)(F)F)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001255658517 1106287678 /nfs/dbraw/zinc/28/76/78/1106287678.db2.gz RFCVJUFOXYFABA-KBMXLJTQSA-N 2 1 312.379 3.391 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255662876 1106289511 /nfs/dbraw/zinc/28/95/11/1106289511.db2.gz UPPBTQSAIHTIGB-TZUVLKIQSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255662876 1106289516 /nfs/dbraw/zinc/28/95/16/1106289516.db2.gz UPPBTQSAIHTIGB-TZUVLKIQSA-N 2 1 316.445 3.139 20 0 DGADMP COc1cccc(CCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255666272 1106290142 /nfs/dbraw/zinc/29/01/42/1106290142.db2.gz ZGTSSCJISKBMJS-AYHJJNSGSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255666280 1106290301 /nfs/dbraw/zinc/29/03/01/1106290301.db2.gz ZQOYGUBPNGDYRF-MGNMYUMUSA-N 2 1 318.461 3.067 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001255668033 1106290528 /nfs/dbraw/zinc/29/05/28/1106290528.db2.gz CRHZYCIMOVYCKU-BVXMROAISA-N 2 1 322.880 3.367 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001255668033 1106290531 /nfs/dbraw/zinc/29/05/31/1106290531.db2.gz CRHZYCIMOVYCKU-BVXMROAISA-N 2 1 322.880 3.367 20 0 DGADMP COc1cccc(C2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001255670833 1106290855 /nfs/dbraw/zinc/29/08/55/1106290855.db2.gz BRZOQJWRKLIGQM-ALOPSCKCSA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc(C2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001255670833 1106290859 /nfs/dbraw/zinc/29/08/59/1106290859.db2.gz BRZOQJWRKLIGQM-ALOPSCKCSA-N 2 1 300.446 3.289 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255671644 1106290906 /nfs/dbraw/zinc/29/09/06/1106290906.db2.gz NGYLHXRUVUNIMG-UDFCRJRASA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255671644 1106290909 /nfs/dbraw/zinc/29/09/09/1106290909.db2.gz NGYLHXRUVUNIMG-UDFCRJRASA-N 3 1 307.526 3.244 20 0 DGADMP Cc1cccn2c([C@H](C)[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cnc12 ZINC001255672067 1106291659 /nfs/dbraw/zinc/29/16/59/1106291659.db2.gz YGQKTHRPVJVAGB-XYTVBORESA-N 2 1 312.461 3.309 20 0 DGADMP C[NH+](C)CCN(Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674709 1106291915 /nfs/dbraw/zinc/29/19/15/1106291915.db2.gz TXQOVYSFVBMSQS-YOFSQIOKSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccccc1O[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255680339 1106293110 /nfs/dbraw/zinc/29/31/10/1106293110.db2.gz OJUOJTCMMCDCIH-SWDXFRIISA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680339 1106293111 /nfs/dbraw/zinc/29/31/11/1106293111.db2.gz OJUOJTCMMCDCIH-SWDXFRIISA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680339 1106293113 /nfs/dbraw/zinc/29/31/13/1106293113.db2.gz OJUOJTCMMCDCIH-SWDXFRIISA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3cccnc3)CC2)cc1 ZINC001255780218 1106314909 /nfs/dbraw/zinc/31/49/09/1106314909.db2.gz IAQRKQSCOXHZGU-QGZVFWFLSA-N 2 1 309.457 3.271 20 0 DGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC001255893730 1106339973 /nfs/dbraw/zinc/33/99/73/1106339973.db2.gz NTOVXDYATFRDGW-MRXNPFEDSA-N 2 1 322.493 3.059 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC001255942078 1106345530 /nfs/dbraw/zinc/34/55/30/1106345530.db2.gz BXNMEQJORZMZRS-PBHICJAKSA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC001255942170 1106345658 /nfs/dbraw/zinc/34/56/58/1106345658.db2.gz BXNMEQJORZMZRS-YOEHRIQHSA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(=O)OC)c1 ZINC001255949303 1106347377 /nfs/dbraw/zinc/34/73/77/1106347377.db2.gz VYUNCSJEIYPYHE-CABCVRRESA-N 2 1 306.450 3.244 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1cncc(OC)c1)C1CC1 ZINC001255955510 1106349785 /nfs/dbraw/zinc/34/97/85/1106349785.db2.gz VBNCZCMPJBVJPA-KDOFPFPSSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1cncc(OC)c1)C1CC1 ZINC001255955511 1106350258 /nfs/dbraw/zinc/35/02/58/1106350258.db2.gz VBNCZCMPJBVJPA-KSSFIOAISA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CCC(C2CC[NH+](C)CC2)CC1 ZINC001255963694 1106350499 /nfs/dbraw/zinc/35/04/99/1106350499.db2.gz JOVQBGUEVHFZQV-QGZVFWFLSA-N 2 1 309.542 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001255961466 1106350513 /nfs/dbraw/zinc/35/05/13/1106350513.db2.gz NBDIRWZHYXNORR-IEBWSBKVSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001255964411 1106350701 /nfs/dbraw/zinc/35/07/01/1106350701.db2.gz RZLZHFZIHVDGLH-SFHVURJKSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001255961205 1106350865 /nfs/dbraw/zinc/35/08/65/1106350865.db2.gz LAKIKTCOARENOW-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001255961205 1106350868 /nfs/dbraw/zinc/35/08/68/1106350868.db2.gz LAKIKTCOARENOW-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001255963111 1106350898 /nfs/dbraw/zinc/35/08/98/1106350898.db2.gz CNAVSNJDOOAUIV-SJLPKXTDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001255963111 1106350903 /nfs/dbraw/zinc/35/09/03/1106350903.db2.gz CNAVSNJDOOAUIV-SJLPKXTDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001255962225 1106351250 /nfs/dbraw/zinc/35/12/50/1106351250.db2.gz SFBRUKXPCARRSE-QAPCUYQASA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001255962225 1106351254 /nfs/dbraw/zinc/35/12/54/1106351254.db2.gz SFBRUKXPCARRSE-QAPCUYQASA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](CCC(=O)OC)Cc1ccccc1 ZINC001255961261 1106351322 /nfs/dbraw/zinc/35/13/22/1106351322.db2.gz LTOLNIOMARKZHC-QGZVFWFLSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC001255961261 1106351324 /nfs/dbraw/zinc/35/13/24/1106351324.db2.gz LTOLNIOMARKZHC-QGZVFWFLSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001255967848 1106352022 /nfs/dbraw/zinc/35/20/22/1106352022.db2.gz UCAGRHZUWOZWPY-MOPGFXCFSA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001255965736 1106352205 /nfs/dbraw/zinc/35/22/05/1106352205.db2.gz HWIWIBCQVOQAHZ-XLIONFOSSA-N 2 1 315.505 3.022 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965760 1106352262 /nfs/dbraw/zinc/35/22/62/1106352262.db2.gz INOMDEHJSCTFGL-CEXWTWQISA-N 2 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255965760 1106352265 /nfs/dbraw/zinc/35/22/65/1106352265.db2.gz INOMDEHJSCTFGL-CEXWTWQISA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255965760 1106352269 /nfs/dbraw/zinc/35/22/69/1106352269.db2.gz INOMDEHJSCTFGL-CEXWTWQISA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255965760 1106352271 /nfs/dbraw/zinc/35/22/71/1106352271.db2.gz INOMDEHJSCTFGL-CEXWTWQISA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965760 1106352273 /nfs/dbraw/zinc/35/22/73/1106352273.db2.gz INOMDEHJSCTFGL-CEXWTWQISA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001255966620 1106352364 /nfs/dbraw/zinc/35/23/64/1106352364.db2.gz LYJCZIGBKORPFR-KRWDZBQOSA-N 2 1 306.494 3.380 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001255972288 1106352938 /nfs/dbraw/zinc/35/29/38/1106352938.db2.gz OVPPVIWBOFAVPX-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001255972288 1106352941 /nfs/dbraw/zinc/35/29/41/1106352941.db2.gz OVPPVIWBOFAVPX-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2cccc(C)n2)CC1 ZINC001255972613 1106353028 /nfs/dbraw/zinc/35/30/28/1106353028.db2.gz VBIHMOWCARKKCW-KRWDZBQOSA-N 2 1 319.493 3.354 20 0 DGADMP COc1cccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256072068 1106364034 /nfs/dbraw/zinc/36/40/34/1106364034.db2.gz WXLLJAYEQRBNAO-UHFFFAOYSA-N 2 1 314.473 3.234 20 0 DGADMP c1ccc(OCC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256078396 1106366014 /nfs/dbraw/zinc/36/60/14/1106366014.db2.gz WSXGLEPWIFHURA-UHFFFAOYSA-N 2 1 314.473 3.404 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001256145865 1106377322 /nfs/dbraw/zinc/37/73/22/1106377322.db2.gz NFDTUEOOIIPRKL-IAGOWNOFSA-N 2 1 304.478 3.480 20 0 DGADMP C[NH+]1CCC([NH2+]C2(Cc3ccccn3)CCC(F)(F)CC2)CC1 ZINC001256198321 1106388661 /nfs/dbraw/zinc/38/86/61/1106388661.db2.gz JBVQHXUUZWZCSI-UHFFFAOYSA-N 2 1 323.431 3.256 20 0 DGADMP CCC[N@@H+](CCC[NH3+])C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256300372 1106401752 /nfs/dbraw/zinc/40/17/52/1106401752.db2.gz RSKIXUAWDMSNED-UHFFFAOYSA-N 2 1 309.885 3.370 20 0 DGADMP CC(C)N(CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522961 1106433597 /nfs/dbraw/zinc/43/35/97/1106433597.db2.gz LAOLGBMGLCMZQY-HKUYNNGSSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522961 1106433599 /nfs/dbraw/zinc/43/35/99/1106433599.db2.gz LAOLGBMGLCMZQY-HKUYNNGSSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522961 1106433600 /nfs/dbraw/zinc/43/36/00/1106433600.db2.gz LAOLGBMGLCMZQY-HKUYNNGSSA-N 2 1 303.494 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC001256525869 1106433935 /nfs/dbraw/zinc/43/39/35/1106433935.db2.gz GFIGXQPYTVZRMO-KBAYOESNSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC001256525869 1106433937 /nfs/dbraw/zinc/43/39/37/1106433937.db2.gz GFIGXQPYTVZRMO-KBAYOESNSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529093 1106434051 /nfs/dbraw/zinc/43/40/51/1106434051.db2.gz QCTWMYCNFMKPFR-UWJYYQICSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529093 1106434056 /nfs/dbraw/zinc/43/40/56/1106434056.db2.gz QCTWMYCNFMKPFR-UWJYYQICSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256526580 1106434106 /nfs/dbraw/zinc/43/41/06/1106434106.db2.gz MWXIEAQSDWQWDK-VQIMIIECSA-N 2 1 322.456 3.440 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256526602 1106434734 /nfs/dbraw/zinc/43/47/34/1106434734.db2.gz NEDLYKLVOYJBKM-CMTQZCSUSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526602 1106434735 /nfs/dbraw/zinc/43/47/35/1106434735.db2.gz NEDLYKLVOYJBKM-CMTQZCSUSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256526602 1106434736 /nfs/dbraw/zinc/43/47/36/1106434736.db2.gz NEDLYKLVOYJBKM-CMTQZCSUSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526602 1106434737 /nfs/dbraw/zinc/43/47/37/1106434737.db2.gz NEDLYKLVOYJBKM-CMTQZCSUSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526602 1106434738 /nfs/dbraw/zinc/43/47/38/1106434738.db2.gz NEDLYKLVOYJBKM-CMTQZCSUSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552280 1106440386 /nfs/dbraw/zinc/44/03/86/1106440386.db2.gz BDKPCHZNFAAGAU-BTHPGYMESA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552280 1106440389 /nfs/dbraw/zinc/44/03/89/1106440389.db2.gz BDKPCHZNFAAGAU-BTHPGYMESA-N 2 1 314.473 3.008 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551889 1106441110 /nfs/dbraw/zinc/44/11/10/1106441110.db2.gz WIWAXRMLOWFIPG-IEBWSBKVSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256551889 1106441100 /nfs/dbraw/zinc/44/11/00/1106441100.db2.gz WIWAXRMLOWFIPG-IEBWSBKVSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@H+](CCCO)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551889 1106441102 /nfs/dbraw/zinc/44/11/02/1106441102.db2.gz WIWAXRMLOWFIPG-IEBWSBKVSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551889 1106441105 /nfs/dbraw/zinc/44/11/05/1106441105.db2.gz WIWAXRMLOWFIPG-IEBWSBKVSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551889 1106441107 /nfs/dbraw/zinc/44/11/07/1106441107.db2.gz WIWAXRMLOWFIPG-IEBWSBKVSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553679 1106441842 /nfs/dbraw/zinc/44/18/42/1106441842.db2.gz IZZHUMBIWBEDNR-LEAZDLGRSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553679 1106441844 /nfs/dbraw/zinc/44/18/44/1106441844.db2.gz IZZHUMBIWBEDNR-LEAZDLGRSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553679 1106441849 /nfs/dbraw/zinc/44/18/49/1106441849.db2.gz IZZHUMBIWBEDNR-LEAZDLGRSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256553679 1106441852 /nfs/dbraw/zinc/44/18/52/1106441852.db2.gz IZZHUMBIWBEDNR-LEAZDLGRSA-N 2 1 314.473 3.293 20 0 DGADMP CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256556259 1106443490 /nfs/dbraw/zinc/44/34/90/1106443490.db2.gz YAQQWCXTAKGBKV-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001256556709 1106443872 /nfs/dbraw/zinc/44/38/72/1106443872.db2.gz IOZJLECJBCXKGC-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001256556709 1106443874 /nfs/dbraw/zinc/44/38/74/1106443874.db2.gz IOZJLECJBCXKGC-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001256556709 1106443876 /nfs/dbraw/zinc/44/38/76/1106443876.db2.gz IOZJLECJBCXKGC-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@H+](CCCC(=O)c1cccnc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573559 1106448521 /nfs/dbraw/zinc/44/85/21/1106448521.db2.gz KCMABQZHHFRXGP-UHFFFAOYSA-N 2 1 317.477 3.239 20 0 DGADMP C[N@@H+](CCCC(=O)c1cccnc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573559 1106448524 /nfs/dbraw/zinc/44/85/24/1106448524.db2.gz KCMABQZHHFRXGP-UHFFFAOYSA-N 2 1 317.477 3.239 20 0 DGADMP CCCO[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611724 1106453879 /nfs/dbraw/zinc/45/38/79/1106453879.db2.gz UZQATSSPLLXCKT-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CCCO[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611724 1106453881 /nfs/dbraw/zinc/45/38/81/1106453881.db2.gz UZQATSSPLLXCKT-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP COc1cccc(CC(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256621143 1106455432 /nfs/dbraw/zinc/45/54/32/1106455432.db2.gz KZCUPVHCWOSXBZ-ALOPSCKCSA-N 2 1 302.462 3.231 20 0 DGADMP COC1(c2ccccc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256628926 1106456786 /nfs/dbraw/zinc/45/67/86/1106456786.db2.gz RPTKIJBVGLPHKS-DFNIBXOVSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@H]1c2ccccc2CC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256688792 1106469574 /nfs/dbraw/zinc/46/95/74/1106469574.db2.gz KPDRYOWSNSABRK-IVMQYODDSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001256743257 1106477775 /nfs/dbraw/zinc/47/77/75/1106477775.db2.gz SAQQVNZCSJRVJB-MJGOQNOKSA-N 2 1 301.478 3.353 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256816240 1106488862 /nfs/dbraw/zinc/48/88/62/1106488862.db2.gz HQLZCDMPALSSHD-OALUTQOASA-N 2 1 302.462 3.180 20 0 DGADMP c1[nH+]cn([C@@H]2CCO[C@@H](c3ccccc3)C2)c1C1CC[NH2+]CC1 ZINC001256822881 1106490803 /nfs/dbraw/zinc/49/08/03/1106490803.db2.gz SPUMZHWBSSAFBH-IEBWSBKVSA-N 2 1 311.429 3.443 20 0 DGADMP CC1(C)C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC1(F)F ZINC001256856149 1106497836 /nfs/dbraw/zinc/49/78/36/1106497836.db2.gz BQGDFASLTRZHQA-UHFFFAOYSA-N 2 1 309.404 3.418 20 0 DGADMP c1cncc([C@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256855333 1106498136 /nfs/dbraw/zinc/49/81/36/1106498136.db2.gz JHVQEOHLLOURHF-LJQANCHMSA-N 2 1 308.429 3.283 20 0 DGADMP [NH2+]=C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC001256898049 1106505105 /nfs/dbraw/zinc/50/51/05/1106505105.db2.gz JEUJZVSSLDJMTF-OAHLLOKOSA-N 2 1 307.388 3.287 20 0 DGADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901876 1106505694 /nfs/dbraw/zinc/50/56/94/1106505694.db2.gz LJXOHEBXVWHWBF-MSOLQXFVSA-N 2 1 307.526 3.103 20 0 DGADMP c1ccc(CCCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)nc1 ZINC001256901714 1106506112 /nfs/dbraw/zinc/50/61/12/1106506112.db2.gz JIAHRAMKWQGYIT-SFHVURJKSA-N 2 1 301.478 3.401 20 0 DGADMP c1ccc(CCCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)nc1 ZINC001256901714 1106506115 /nfs/dbraw/zinc/50/61/15/1106506115.db2.gz JIAHRAMKWQGYIT-SFHVURJKSA-N 2 1 301.478 3.401 20 0 DGADMP [NH3+]CCc1nn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256903166 1106506784 /nfs/dbraw/zinc/50/67/84/1106506784.db2.gz YRFAZXULMLXVNR-MRXNPFEDSA-N 2 1 312.461 3.117 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908787 1106509101 /nfs/dbraw/zinc/50/91/01/1106509101.db2.gz QIMGBPGPSGSVQX-IAGOWNOFSA-N 3 1 309.542 3.384 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908787 1106509106 /nfs/dbraw/zinc/50/91/06/1106509106.db2.gz QIMGBPGPSGSVQX-IAGOWNOFSA-N 3 1 309.542 3.384 20 0 DGADMP C([C@@H]1CCCCN1[C@@H]1CCC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC001256919633 1106512275 /nfs/dbraw/zinc/51/22/75/1106512275.db2.gz YLEAKFRZMPCAGZ-VQTJNVASSA-N 2 1 319.537 3.344 20 0 DGADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256923316 1106513036 /nfs/dbraw/zinc/51/30/36/1106513036.db2.gz QOTKLKPKHDCRKL-AEFFLSMTSA-N 2 1 316.493 3.305 20 0 DGADMP COC(=O)CC1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001256974099 1106519098 /nfs/dbraw/zinc/51/90/98/1106519098.db2.gz HYTOUCMVVKSPEK-UHFFFAOYSA-N 2 1 310.482 3.092 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220730 1106554245 /nfs/dbraw/zinc/55/42/45/1106554245.db2.gz UNRFFUFTGQRPOF-KRWDZBQOSA-N 2 1 318.461 3.021 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257220730 1106554251 /nfs/dbraw/zinc/55/42/51/1106554251.db2.gz UNRFFUFTGQRPOF-KRWDZBQOSA-N 2 1 318.461 3.021 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+]CCC[N@@H+](C)CCCC ZINC001257388299 1106579821 /nfs/dbraw/zinc/57/98/21/1106579821.db2.gz MLPCMXOVMMYEFP-INIZCTEOSA-N 2 1 300.487 3.210 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+]CC[NH+](CCC)CCC ZINC001257390070 1106580364 /nfs/dbraw/zinc/58/03/64/1106580364.db2.gz XFQSDYASKXCRRM-INIZCTEOSA-N 2 1 300.487 3.210 20 0 DGADMP CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446212 1106590891 /nfs/dbraw/zinc/59/08/91/1106590891.db2.gz YYIODBWZYBFODW-NVXWUHKLSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@@H](C)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446212 1106590892 /nfs/dbraw/zinc/59/08/92/1106590892.db2.gz YYIODBWZYBFODW-NVXWUHKLSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001257446212 1106590894 /nfs/dbraw/zinc/59/08/94/1106590894.db2.gz YYIODBWZYBFODW-NVXWUHKLSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001257446212 1106590896 /nfs/dbraw/zinc/59/08/96/1106590896.db2.gz YYIODBWZYBFODW-NVXWUHKLSA-N 2 1 323.431 3.413 20 0 DGADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](C1CCCCC1)CC2 ZINC001257457086 1106592803 /nfs/dbraw/zinc/59/28/03/1106592803.db2.gz AMRPDJQWIQFZBC-UHFFFAOYSA-N 2 1 316.493 3.060 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001257456575 1106592858 /nfs/dbraw/zinc/59/28/58/1106592858.db2.gz VEZPESMXKPPCHK-INIZCTEOSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001257456575 1106592861 /nfs/dbraw/zinc/59/28/61/1106592861.db2.gz VEZPESMXKPPCHK-INIZCTEOSA-N 2 1 322.493 3.059 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCSC1 ZINC001257676928 1106619768 /nfs/dbraw/zinc/61/97/68/1106619768.db2.gz NICUIRFANOKZGB-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCSC1 ZINC001257676928 1106619769 /nfs/dbraw/zinc/61/97/69/1106619769.db2.gz NICUIRFANOKZGB-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCSC1 ZINC001257676928 1106619771 /nfs/dbraw/zinc/61/97/71/1106619771.db2.gz NICUIRFANOKZGB-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953110 1106649931 /nfs/dbraw/zinc/64/99/31/1106649931.db2.gz NMBOFTWMZOLELB-VQHPVUNQSA-N 2 1 320.864 3.248 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953110 1106649934 /nfs/dbraw/zinc/64/99/34/1106649934.db2.gz NMBOFTWMZOLELB-VQHPVUNQSA-N 2 1 320.864 3.248 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258024492 1106660854 /nfs/dbraw/zinc/66/08/54/1106660854.db2.gz XLHNIHJTUBCMIH-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CCOC(=O)CC1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001258037808 1106663106 /nfs/dbraw/zinc/66/31/06/1106663106.db2.gz XSDZKNYRUBUWGI-UHFFFAOYSA-N 2 1 319.449 3.035 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258113315 1106675593 /nfs/dbraw/zinc/67/55/93/1106675593.db2.gz RLRXHFGDXDZHSG-JKSUJKDBSA-N 2 1 310.482 3.105 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258113315 1106675595 /nfs/dbraw/zinc/67/55/95/1106675595.db2.gz RLRXHFGDXDZHSG-JKSUJKDBSA-N 2 1 310.482 3.105 20 0 DGADMP COC[C@@H]1CCCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141299 1106680160 /nfs/dbraw/zinc/68/01/60/1106680160.db2.gz XYPLAGUCBGYWJG-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141299 1106680162 /nfs/dbraw/zinc/68/01/62/1106680162.db2.gz XYPLAGUCBGYWJG-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP CCCO[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146483 1106681189 /nfs/dbraw/zinc/68/11/89/1106681189.db2.gz ZMWCOWYZRQOORR-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP CCCO[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146483 1106681190 /nfs/dbraw/zinc/68/11/90/1106681190.db2.gz ZMWCOWYZRQOORR-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC001258166534 1106684606 /nfs/dbraw/zinc/68/46/06/1106684606.db2.gz WEXMHJJNPWMYAQ-FVQHAEBGSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC001258166534 1106684607 /nfs/dbraw/zinc/68/46/07/1106684607.db2.gz WEXMHJJNPWMYAQ-FVQHAEBGSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC001258166534 1106684608 /nfs/dbraw/zinc/68/46/08/1106684608.db2.gz WEXMHJJNPWMYAQ-FVQHAEBGSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC001258166534 1106684609 /nfs/dbraw/zinc/68/46/09/1106684609.db2.gz WEXMHJJNPWMYAQ-FVQHAEBGSA-N 2 1 318.509 3.364 20 0 DGADMP CSCC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258211988 1106697964 /nfs/dbraw/zinc/69/79/64/1106697964.db2.gz PGSINHNNJGOHCQ-XIRDDKMYSA-N 2 1 307.507 3.295 20 0 DGADMP CSCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258211987 1106698181 /nfs/dbraw/zinc/69/81/81/1106698181.db2.gz PGSINHNNJGOHCQ-DJIMGWMZSA-N 2 1 307.507 3.295 20 0 DGADMP COC(=O)CC[C@@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258359339 1106723004 /nfs/dbraw/zinc/72/30/04/1106723004.db2.gz YDGDOKHMCPSMNI-KBAYOESNSA-N 2 1 324.509 3.480 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCc3ccc(OC)cc3)C[C@@H]2C1 ZINC001258407011 1106732244 /nfs/dbraw/zinc/73/22/44/1106732244.db2.gz VYVZCNICOUFWSN-YTQUADARSA-N 2 1 316.489 3.290 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCc3ccc(OC)cc3)C[C@@H]2C1 ZINC001258407011 1106732250 /nfs/dbraw/zinc/73/22/50/1106732250.db2.gz VYVZCNICOUFWSN-YTQUADARSA-N 2 1 316.489 3.290 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCc3ccc(OC)cc3)C[C@@H]2C1 ZINC001258407011 1106732256 /nfs/dbraw/zinc/73/22/56/1106732256.db2.gz VYVZCNICOUFWSN-YTQUADARSA-N 2 1 316.489 3.290 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258405366 1106732406 /nfs/dbraw/zinc/73/24/06/1106732406.db2.gz CNBCAMWFSPFAJB-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258405366 1106732411 /nfs/dbraw/zinc/73/24/11/1106732411.db2.gz CNBCAMWFSPFAJB-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258411632 1106734976 /nfs/dbraw/zinc/73/49/76/1106734976.db2.gz HTFISZGEPPZKEU-INIZCTEOSA-N 2 1 319.468 3.116 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258483527 1106773602 /nfs/dbraw/zinc/77/36/02/1106773602.db2.gz OVJKKWSNBLGVAW-BZUAXINKSA-N 2 1 312.498 3.336 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258496630 1106779866 /nfs/dbraw/zinc/77/98/66/1106779866.db2.gz UHOHGBZMRJMXHP-IRXDYDNUSA-N 2 1 310.482 3.059 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C2CCN(c3ccccc3)CC2)CC1 ZINC001258514861 1106793435 /nfs/dbraw/zinc/79/34/35/1106793435.db2.gz XGAOVSSGLBMILZ-UHFFFAOYSA-N 2 1 301.478 3.072 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C2CCN(c3ccccc3)CC2)CC1 ZINC001258514861 1106793445 /nfs/dbraw/zinc/79/34/45/1106793445.db2.gz XGAOVSSGLBMILZ-UHFFFAOYSA-N 2 1 301.478 3.072 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258624308 1106862700 /nfs/dbraw/zinc/86/27/00/1106862700.db2.gz NQODBXWKYDECJX-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258624308 1106862721 /nfs/dbraw/zinc/86/27/21/1106862721.db2.gz NQODBXWKYDECJX-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258627123 1106863097 /nfs/dbraw/zinc/86/30/97/1106863097.db2.gz IFERALQUBAWCJO-PKOBYXMFSA-N 2 1 301.478 3.353 20 0 DGADMP CCCC[C@@H](CCC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258763476 1106960418 /nfs/dbraw/zinc/96/04/18/1106960418.db2.gz QMQFQTYNJSQYGT-MRXNPFEDSA-N 2 1 300.487 3.162 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001258774172 1106967978 /nfs/dbraw/zinc/96/79/78/1106967978.db2.gz KBHFZMSZVQLNSR-IBGZPJMESA-N 2 1 302.462 3.404 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001258774172 1106967989 /nfs/dbraw/zinc/96/79/89/1106967989.db2.gz KBHFZMSZVQLNSR-IBGZPJMESA-N 2 1 302.462 3.404 20 0 DGADMP CCC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001258774148 1106968386 /nfs/dbraw/zinc/96/83/86/1106968386.db2.gz JKHPUIAICCASDE-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP COC1(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CCCCCC1 ZINC001474748845 1106997341 /nfs/dbraw/zinc/99/73/41/1106997341.db2.gz SVAPLZJPXZZMHL-KSZLIROESA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001258820865 1106999919 /nfs/dbraw/zinc/99/99/19/1106999919.db2.gz PPPCDHFZJNRPIU-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820865 1106999929 /nfs/dbraw/zinc/99/99/29/1106999929.db2.gz PPPCDHFZJNRPIU-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820865 1106999933 /nfs/dbraw/zinc/99/99/33/1106999933.db2.gz PPPCDHFZJNRPIU-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@H]1CCC[C@@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001258820863 1107001157 /nfs/dbraw/zinc/00/11/57/1107001157.db2.gz PPPCDHFZJNRPIU-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820863 1107001171 /nfs/dbraw/zinc/00/11/71/1107001171.db2.gz PPPCDHFZJNRPIU-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001258820863 1107001187 /nfs/dbraw/zinc/00/11/87/1107001187.db2.gz PPPCDHFZJNRPIU-MTFMMBMASA-N 2 1 320.521 3.245 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258903991 1107050309 /nfs/dbraw/zinc/05/03/09/1107050309.db2.gz FSPJUTIYJZZOTL-MJGOQNOKSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258903991 1107050323 /nfs/dbraw/zinc/05/03/23/1107050323.db2.gz FSPJUTIYJZZOTL-MJGOQNOKSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258908470 1107053944 /nfs/dbraw/zinc/05/39/44/1107053944.db2.gz VYTKKAKCWHAWTO-KKUMJFAQSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1ccccc1 ZINC001474751082 1107144621 /nfs/dbraw/zinc/14/46/21/1107144621.db2.gz HJZBAINXKGTNIP-MJGOQNOKSA-N 2 1 314.477 3.334 20 0 DGADMP CCCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001317457220 1107406673 /nfs/dbraw/zinc/40/66/73/1107406673.db2.gz OOVPEVCWLFWYIS-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317457220 1107406681 /nfs/dbraw/zinc/40/66/81/1107406681.db2.gz OOVPEVCWLFWYIS-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001317457220 1107406684 /nfs/dbraw/zinc/40/66/84/1107406684.db2.gz OOVPEVCWLFWYIS-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC001321859371 1107451569 /nfs/dbraw/zinc/45/15/69/1107451569.db2.gz XOHYIKMQSLWJIH-TVFCKZIOSA-N 2 1 316.493 3.304 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001261513523 1107458723 /nfs/dbraw/zinc/45/87/23/1107458723.db2.gz XSBBUMZNADIYHS-UHFFFAOYSA-N 2 1 314.477 3.155 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001261513523 1107458727 /nfs/dbraw/zinc/45/87/27/1107458727.db2.gz XSBBUMZNADIYHS-UHFFFAOYSA-N 2 1 314.477 3.155 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001261787734 1107528824 /nfs/dbraw/zinc/52/88/24/1107528824.db2.gz ZFKNJXNKRDCZBM-OAHLLOKOSA-N 2 1 310.869 3.354 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001261787733 1107529715 /nfs/dbraw/zinc/52/97/15/1107529715.db2.gz ZFKNJXNKRDCZBM-HNNXBMFYSA-N 2 1 310.869 3.354 20 0 DGADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378886816 1108000562 /nfs/dbraw/zinc/00/05/62/1108000562.db2.gz MHEUBPYHVQLCLP-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000378886816 1108000575 /nfs/dbraw/zinc/00/05/75/1108000575.db2.gz MHEUBPYHVQLCLP-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001264126760 1108388131 /nfs/dbraw/zinc/38/81/31/1108388131.db2.gz YIHLADRNXABNGM-HPFMTEOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCN(CCC[N@@H+](CC)Cc1ccncc1)Cc1ccncc1 ZINC001324674664 1108418991 /nfs/dbraw/zinc/41/89/91/1108418991.db2.gz VLGZXCXNWAVUDV-UHFFFAOYSA-N 2 1 312.461 3.211 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754950 1108623957 /nfs/dbraw/zinc/62/39/57/1108623957.db2.gz MSYKNRQHBWHMDT-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754950 1108623962 /nfs/dbraw/zinc/62/39/62/1108623962.db2.gz MSYKNRQHBWHMDT-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266002720 1109061001 /nfs/dbraw/zinc/06/10/01/1109061001.db2.gz RAKALKWZRWCGSJ-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]CC[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000393870263 1109067152 /nfs/dbraw/zinc/06/71/52/1109067152.db2.gz FRYSVKXBSQIAJY-RTBURBONSA-N 2 1 321.468 3.214 20 0 DGADMP [NH3+]CC[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000393870258 1109067388 /nfs/dbraw/zinc/06/73/88/1109067388.db2.gz FRYSVKXBSQIAJY-OALUTQOASA-N 2 1 321.468 3.214 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282667594 1109548531 /nfs/dbraw/zinc/54/85/31/1109548531.db2.gz YWYGDKJVMKRYTD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282667594 1109548534 /nfs/dbraw/zinc/54/85/34/1109548534.db2.gz YWYGDKJVMKRYTD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001282667594 1109548536 /nfs/dbraw/zinc/54/85/36/1109548536.db2.gz YWYGDKJVMKRYTD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CCC1 ZINC001307479157 1111303070 /nfs/dbraw/zinc/30/30/70/1111303070.db2.gz UEWJREATKLUJLR-ZHALLVOQSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CCC1 ZINC001307479157 1111303075 /nfs/dbraw/zinc/30/30/75/1111303075.db2.gz UEWJREATKLUJLR-ZHALLVOQSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001307483493 1111304059 /nfs/dbraw/zinc/30/40/59/1111304059.db2.gz XNIIXFPVERFHES-HKUYNNGSSA-N 2 1 320.452 3.118 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001307483493 1111304064 /nfs/dbraw/zinc/30/40/64/1111304064.db2.gz XNIIXFPVERFHES-HKUYNNGSSA-N 2 1 320.452 3.118 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001307483037 1111304524 /nfs/dbraw/zinc/30/45/24/1111304524.db2.gz LOVNSOJIHKCXLV-SFHVURJKSA-N 2 1 316.565 3.150 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001307483037 1111304530 /nfs/dbraw/zinc/30/45/30/1111304530.db2.gz LOVNSOJIHKCXLV-SFHVURJKSA-N 2 1 316.565 3.150 20 0 DGADMP COC(=O)c1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)ccc1C ZINC001307497358 1111305990 /nfs/dbraw/zinc/30/59/90/1111305990.db2.gz FBPNSXBLLDXMRY-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1C ZINC001307497358 1111305994 /nfs/dbraw/zinc/30/59/94/1111305994.db2.gz FBPNSXBLLDXMRY-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1C ZINC001307497358 1111305998 /nfs/dbraw/zinc/30/59/98/1111305998.db2.gz FBPNSXBLLDXMRY-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1C ZINC001307497358 1111306002 /nfs/dbraw/zinc/30/60/02/1111306002.db2.gz FBPNSXBLLDXMRY-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP COC(=O)c1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1C ZINC001307497358 1111306005 /nfs/dbraw/zinc/30/60/05/1111306005.db2.gz FBPNSXBLLDXMRY-KRWDZBQOSA-N 2 1 318.461 3.088 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CCN1C ZINC001307516228 1111309411 /nfs/dbraw/zinc/30/94/11/1111309411.db2.gz DVYUQQCDJDJRNK-CHWSQXEVSA-N 2 1 314.832 3.272 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001307516228 1111309413 /nfs/dbraw/zinc/30/94/13/1111309413.db2.gz DVYUQQCDJDJRNK-CHWSQXEVSA-N 2 1 314.832 3.272 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC001307516228 1111309426 /nfs/dbraw/zinc/30/94/26/1111309426.db2.gz DVYUQQCDJDJRNK-CHWSQXEVSA-N 2 1 314.832 3.272 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001307518028 1111309839 /nfs/dbraw/zinc/30/98/39/1111309839.db2.gz KVZVGEQBTPWHAX-OALUTQOASA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3([C@H]4CCCCO4)CCC3)C2)C1 ZINC001307796457 1111340979 /nfs/dbraw/zinc/34/09/79/1111340979.db2.gz KIQGBPGYOFSQSG-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3([C@H]4CCCCO4)CCC3)C2)C1 ZINC001307796457 1111340983 /nfs/dbraw/zinc/34/09/83/1111340983.db2.gz KIQGBPGYOFSQSG-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011002 1111365990 /nfs/dbraw/zinc/36/59/90/1111365990.db2.gz IGIXJKCDEZVUOU-SJLPKXTDSA-N 2 1 302.462 3.390 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011002 1111365993 /nfs/dbraw/zinc/36/59/93/1111365993.db2.gz IGIXJKCDEZVUOU-SJLPKXTDSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011002 1111365997 /nfs/dbraw/zinc/36/59/97/1111365997.db2.gz IGIXJKCDEZVUOU-SJLPKXTDSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@H]21 ZINC001308011002 1111366000 /nfs/dbraw/zinc/36/60/00/1111366000.db2.gz IGIXJKCDEZVUOU-SJLPKXTDSA-N 2 1 302.462 3.390 20 0 DGADMP C[C@@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257859 1111406025 /nfs/dbraw/zinc/40/60/25/1111406025.db2.gz VZUKMCLAIFRAMB-WMZOPIPTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C1CC1 ZINC001308257859 1111406029 /nfs/dbraw/zinc/40/60/29/1111406029.db2.gz VZUKMCLAIFRAMB-WMZOPIPTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@H+](C)C1CC1 ZINC001308257859 1111406030 /nfs/dbraw/zinc/40/60/30/1111406030.db2.gz VZUKMCLAIFRAMB-WMZOPIPTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)[N@@H+](C)C1CC1 ZINC001308257859 1111406034 /nfs/dbraw/zinc/40/60/34/1111406034.db2.gz VZUKMCLAIFRAMB-WMZOPIPTSA-N 2 1 315.505 3.112 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001308293935 1111412165 /nfs/dbraw/zinc/41/21/65/1111412165.db2.gz ZKERHXVBIHOZNC-ROUUACIJSA-N 2 1 314.473 3.407 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001308293935 1111412167 /nfs/dbraw/zinc/41/21/67/1111412167.db2.gz ZKERHXVBIHOZNC-ROUUACIJSA-N 2 1 314.473 3.407 20 0 DGADMP CC(C)C[N@@H+](C)CCCNCc1cccc2c1OC(F)(F)O2 ZINC001308458416 1111430591 /nfs/dbraw/zinc/43/05/91/1111430591.db2.gz VPPAGNBLGDEEAK-UHFFFAOYSA-N 2 1 314.376 3.076 20 0 DGADMP CC[C@H](C)CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001308551255 1111442511 /nfs/dbraw/zinc/44/25/11/1111442511.db2.gz IUXKQCYGRQOAIM-HNNXBMFYSA-N 2 1 312.461 3.445 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1C(F)(F)F ZINC001308553144 1111443220 /nfs/dbraw/zinc/44/32/20/1111443220.db2.gz HLNZFINTURDEQF-OFQRWUPVSA-N 2 1 312.379 3.444 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC001308578757 1111447556 /nfs/dbraw/zinc/44/75/56/1111447556.db2.gz XBJPNUSHVNJYJH-IAGOWNOFSA-N 2 1 322.518 3.368 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCCCO2 ZINC001308743748 1111469421 /nfs/dbraw/zinc/46/94/21/1111469421.db2.gz BPXUSQAIHGJRBC-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCCCO2 ZINC001308743748 1111469422 /nfs/dbraw/zinc/46/94/22/1111469422.db2.gz BPXUSQAIHGJRBC-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP COCC[N@H+](Cc1cccc(C2CC2)c1)CC1CC[NH+](C)CC1 ZINC001308895859 1111490141 /nfs/dbraw/zinc/49/01/41/1111490141.db2.gz UUFLLDKWXUNZAP-UHFFFAOYSA-N 2 1 316.489 3.354 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001621551372 1193856932 /nfs/dbraw/zinc/85/69/32/1193856932.db2.gz GDYKSFSUZKBWNW-OAHLLOKOSA-N 2 1 323.278 3.189 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367093 214121174 /nfs/dbraw/zinc/12/11/74/214121174.db2.gz BRORKNYSALDXDW-XLIONFOSSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367093 214121177 /nfs/dbraw/zinc/12/11/77/214121177.db2.gz BRORKNYSALDXDW-XLIONFOSSA-N 2 1 316.489 3.098 20 0 DGADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]Cc3ccccn3)C2)cc1 ZINC000310003490 231109423 /nfs/dbraw/zinc/10/94/23/231109423.db2.gz GJIRHMSTFMHWEO-LJQANCHMSA-N 2 1 309.457 3.474 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]Cc3ccccn3)C2)cc1 ZINC000310003490 231109427 /nfs/dbraw/zinc/10/94/27/231109427.db2.gz GJIRHMSTFMHWEO-LJQANCHMSA-N 2 1 309.457 3.474 20 0 DGADMP CCc1cc(NCCC[N@@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000302072251 529555075 /nfs/dbraw/zinc/55/50/75/529555075.db2.gz ZEODMUWRPIXGMZ-UHFFFAOYSA-N 2 1 310.445 3.208 20 0 DGADMP CCc1cc(NCCC[N@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000302072251 529555079 /nfs/dbraw/zinc/55/50/79/529555079.db2.gz ZEODMUWRPIXGMZ-UHFFFAOYSA-N 2 1 310.445 3.208 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000278990220 214553219 /nfs/dbraw/zinc/55/32/19/214553219.db2.gz PXVBGFOQJWRYKJ-WBMJQRKESA-N 2 1 305.372 3.465 20 0 DGADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587138 185327390 /nfs/dbraw/zinc/32/73/90/185327390.db2.gz DEHFDOHQQWEMNX-GASCZTMLSA-N 2 1 322.518 3.378 20 0 DGADMP C[N@H+](CCc1ccccn1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821225 185343936 /nfs/dbraw/zinc/34/39/36/185343936.db2.gz HIAJBOAWEIDSSR-UHFFFAOYSA-N 2 1 324.472 3.258 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000432406369 529721168 /nfs/dbraw/zinc/72/11/68/529721168.db2.gz HKGBKCVFEIQRNW-GJZGRUSLSA-N 2 1 310.507 3.462 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000432406369 529721170 /nfs/dbraw/zinc/72/11/70/529721170.db2.gz HKGBKCVFEIQRNW-GJZGRUSLSA-N 2 1 310.507 3.462 20 0 DGADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000435874600 529964851 /nfs/dbraw/zinc/96/48/51/529964851.db2.gz LTUGZCIVGBHUKL-KRWDZBQOSA-N 2 1 320.477 3.100 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435432298 529982492 /nfs/dbraw/zinc/98/24/92/529982492.db2.gz MMMPTHGFZRQOED-GOSISDBHSA-N 2 1 313.420 3.462 20 0 DGADMP C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435432298 529982494 /nfs/dbraw/zinc/98/24/94/529982494.db2.gz MMMPTHGFZRQOED-GOSISDBHSA-N 2 1 313.420 3.462 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411224156 529999838 /nfs/dbraw/zinc/99/98/38/529999838.db2.gz ZHXUDDBYGQRUNZ-UHFFFAOYSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435376311 530005266 /nfs/dbraw/zinc/00/52/66/530005266.db2.gz QOHUHJRAQBDCSJ-QGZVFWFLSA-N 2 1 310.441 3.404 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305666214 530056768 /nfs/dbraw/zinc/05/67/68/530056768.db2.gz ZXPXPLOPNQIUJY-MOPGFXCFSA-N 2 1 320.452 3.055 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305624981 530056999 /nfs/dbraw/zinc/05/69/99/530056999.db2.gz JUAJQWZPAXUBKI-GUDVDZBRSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305624981 530057000 /nfs/dbraw/zinc/05/70/00/530057000.db2.gz JUAJQWZPAXUBKI-GUDVDZBRSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305624981 530057001 /nfs/dbraw/zinc/05/70/01/530057001.db2.gz JUAJQWZPAXUBKI-GUDVDZBRSA-N 2 1 320.452 3.198 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305615031 530057029 /nfs/dbraw/zinc/05/70/29/530057029.db2.gz CDOAMQHUEQHXBA-OWCLPIDISA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305615031 530057030 /nfs/dbraw/zinc/05/70/30/530057030.db2.gz CDOAMQHUEQHXBA-OWCLPIDISA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305615031 530057031 /nfs/dbraw/zinc/05/70/31/530057031.db2.gz CDOAMQHUEQHXBA-OWCLPIDISA-N 2 1 308.491 3.120 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](COc2ccccc2)C1 ZINC000272624296 210025346 /nfs/dbraw/zinc/02/53/46/210025346.db2.gz VGHYIFHSQQZWDC-ZWKOTPCHSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272624296 210025347 /nfs/dbraw/zinc/02/53/47/210025347.db2.gz VGHYIFHSQQZWDC-ZWKOTPCHSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272624296 210025349 /nfs/dbraw/zinc/02/53/49/210025349.db2.gz VGHYIFHSQQZWDC-ZWKOTPCHSA-N 2 1 302.462 3.262 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000138400554 186016349 /nfs/dbraw/zinc/01/63/49/186016349.db2.gz RJSLLUWBDUJPDQ-OAHLLOKOSA-N 2 1 322.412 3.036 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287131961 219334274 /nfs/dbraw/zinc/33/42/74/219334274.db2.gz ADZVCMVPUGTPGF-PXNSSMCTSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000287131961 219334277 /nfs/dbraw/zinc/33/42/77/219334277.db2.gz ADZVCMVPUGTPGF-PXNSSMCTSA-N 2 1 315.505 3.112 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCOCC1 ZINC000188012692 186243209 /nfs/dbraw/zinc/24/32/09/186243209.db2.gz INNAFOFDYBRXIR-MOPGFXCFSA-N 2 1 316.489 3.197 20 0 DGADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756447 186380376 /nfs/dbraw/zinc/38/03/76/186380376.db2.gz XSEPQYLUYBNFTO-HKUYNNGSSA-N 2 1 317.521 3.217 20 0 DGADMP CCc1cccc(OCC[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130824407 432030174 /nfs/dbraw/zinc/03/01/74/432030174.db2.gz XAFLZOBZYBEMOJ-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130824407 432030177 /nfs/dbraw/zinc/03/01/77/432030177.db2.gz XAFLZOBZYBEMOJ-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000182097521 199386075 /nfs/dbraw/zinc/38/60/75/199386075.db2.gz DDXSIKBKWGTFBP-AWEZNQCLSA-N 2 1 314.433 3.281 20 0 DGADMP COC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156451 198299340 /nfs/dbraw/zinc/29/93/40/198299340.db2.gz PSWHUBSLELXONO-HNNXBMFYSA-N 2 1 302.418 3.036 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000174514670 198344462 /nfs/dbraw/zinc/34/44/62/198344462.db2.gz CGFCIXSLNCYCLM-GXTWGEPZSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C1 ZINC000067670994 432034575 /nfs/dbraw/zinc/03/45/75/432034575.db2.gz BTINKITTWKVMDP-HOTGVXAUSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163551203 432035079 /nfs/dbraw/zinc/03/50/79/432035079.db2.gz VNCSFVOXSKTROP-SQGPQFPESA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000163551203 432035082 /nfs/dbraw/zinc/03/50/82/432035082.db2.gz VNCSFVOXSKTROP-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163551203 432035085 /nfs/dbraw/zinc/03/50/85/432035085.db2.gz VNCSFVOXSKTROP-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000163551203 432035086 /nfs/dbraw/zinc/03/50/86/432035086.db2.gz VNCSFVOXSKTROP-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000277091973 213288029 /nfs/dbraw/zinc/28/80/29/213288029.db2.gz RWNHDNKUCLJTOL-CVEARBPZSA-N 2 1 323.799 3.104 20 0 DGADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1ncc[nH]1)C1CCCCC1 ZINC000067694150 432036236 /nfs/dbraw/zinc/03/62/36/432036236.db2.gz UAUYKHVDECGOAI-UHFFFAOYSA-N 2 1 312.461 3.464 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1ncc[nH]1)C1CCCCC1 ZINC000067694150 432036242 /nfs/dbraw/zinc/03/62/42/432036242.db2.gz UAUYKHVDECGOAI-UHFFFAOYSA-N 2 1 312.461 3.464 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000131399348 432036501 /nfs/dbraw/zinc/03/65/01/432036501.db2.gz ISGWHIRSLWRDRV-OAHLLOKOSA-N 2 1 308.466 3.395 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1csc(Br)c1 ZINC000163628191 432037301 /nfs/dbraw/zinc/03/73/01/432037301.db2.gz TYSINNAFMWEXGG-UHFFFAOYSA-N 2 1 305.285 3.331 20 0 DGADMP C[C@H]1CSCC[NH+]1CCCCC[N@@H+]1CCSC[C@@H]1C ZINC000172659124 291020435 /nfs/dbraw/zinc/02/04/35/291020435.db2.gz WCHWZWCEIHSMFP-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+]CCCCn1cc[nH+]c1C)CCC2 ZINC000164677755 432051353 /nfs/dbraw/zinc/05/13/53/432051353.db2.gz HOJOFKJWGRQVTP-CQSZACIVSA-N 2 1 304.463 3.404 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000080145506 192004779 /nfs/dbraw/zinc/00/47/79/192004779.db2.gz PPEKVDNBACNVHL-HNNXBMFYSA-N 2 1 324.538 3.201 20 0 DGADMP CCOCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000165111893 432053467 /nfs/dbraw/zinc/05/34/67/432053467.db2.gz BLWVLPUVAJQPIY-UHFFFAOYSA-N 2 1 322.468 3.239 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCOCCc2ccccc2)CC[N@H+]1C ZINC000165229904 432054774 /nfs/dbraw/zinc/05/47/74/432054774.db2.gz UDQVOGVKOUUDNI-MJGOQNOKSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304445 432055533 /nfs/dbraw/zinc/05/55/33/432055533.db2.gz MSRIJWOXGOXTDH-NVXWUHKLSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304445 432055535 /nfs/dbraw/zinc/05/55/35/432055535.db2.gz MSRIJWOXGOXTDH-NVXWUHKLSA-N 2 1 315.486 3.358 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236925518 202074734 /nfs/dbraw/zinc/07/47/34/202074734.db2.gz YJOSTOLVZAJZFD-DAYGRLMNSA-N 2 1 317.477 3.373 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422717666 283214215 /nfs/dbraw/zinc/21/42/15/283214215.db2.gz WADFQSWBYCDYCL-CEXWTWQISA-N 3 1 309.542 3.399 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166549611 432061601 /nfs/dbraw/zinc/06/16/01/432061601.db2.gz UYIDFPGLGKEMDC-SCTDSRPQSA-N 2 1 302.462 3.086 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000179637724 432065677 /nfs/dbraw/zinc/06/56/77/432065677.db2.gz CNIVRWNMXHVQPX-LSDHHAIUSA-N 2 1 306.450 3.147 20 0 DGADMP CC(C)COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276690549 213048843 /nfs/dbraw/zinc/04/88/43/213048843.db2.gz SACIPUXLYRACIH-OAHLLOKOSA-N 2 1 301.434 3.348 20 0 DGADMP CSC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180165987 199126359 /nfs/dbraw/zinc/12/63/59/199126359.db2.gz XHOYDKHOCILWIR-LEUOFYLZSA-N 2 1 304.503 3.238 20 0 DGADMP CSC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166002 199126407 /nfs/dbraw/zinc/12/64/07/199126407.db2.gz XHOYDKHOCILWIR-LAVFITLUSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000180678477 199194894 /nfs/dbraw/zinc/19/48/94/199194894.db2.gz BAOBKPWPAPZWRX-OLZOCXBDSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000180678477 199194896 /nfs/dbraw/zinc/19/48/96/199194896.db2.gz BAOBKPWPAPZWRX-OLZOCXBDSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)CC[N@H+]1C ZINC000180804095 199211132 /nfs/dbraw/zinc/21/11/32/199211132.db2.gz HWWCCUUEJINWPI-NVXWUHKLSA-N 2 1 313.445 3.076 20 0 DGADMP c1ccc2[nH+]c(NCC3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000180044105 432077287 /nfs/dbraw/zinc/07/72/87/432077287.db2.gz HHBQGRXDNOHBCX-UHFFFAOYSA-N 2 1 307.401 3.286 20 0 DGADMP FC(F)[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012311 237000853 /nfs/dbraw/zinc/00/08/53/237000853.db2.gz SFZQDNJAHDKKSC-YESZJQIVSA-N 2 1 308.416 3.231 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058225 237042826 /nfs/dbraw/zinc/04/28/26/237042826.db2.gz VFZMSCDQIKNZJU-GDBMZVCRSA-N 2 1 310.388 3.252 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCCO[C@H](C[NH3+])C3)c2)cc1 ZINC000415101065 237075597 /nfs/dbraw/zinc/07/55/97/237075597.db2.gz BOJLLGLCHLTKCY-HXUWFJFHSA-N 2 1 310.441 3.212 20 0 DGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415077663 237060759 /nfs/dbraw/zinc/06/07/59/237060759.db2.gz HRFAJZWPEZTUSF-ARFHVFGLSA-N 2 1 308.853 3.359 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000415082372 237063723 /nfs/dbraw/zinc/06/37/23/237063723.db2.gz LWNXZCRIPMTUMG-WBVHZDCISA-N 2 1 301.459 3.077 20 0 DGADMP C[C@H](CCCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281015847 216024272 /nfs/dbraw/zinc/02/42/72/216024272.db2.gz NXFVXEXOXCNNCZ-IPJUCJBFSA-N 2 1 304.478 3.180 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000187962353 200184210 /nfs/dbraw/zinc/18/42/10/200184210.db2.gz UVSQCKZMMOOZIS-LJQANCHMSA-N 2 1 321.484 3.140 20 0 DGADMP Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000187875894 200170711 /nfs/dbraw/zinc/17/07/11/200170711.db2.gz AGHAKFABRLWXDS-INIZCTEOSA-N 2 1 312.461 3.476 20 0 DGADMP Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000187875894 200170713 /nfs/dbraw/zinc/17/07/13/200170713.db2.gz AGHAKFABRLWXDS-INIZCTEOSA-N 2 1 312.461 3.476 20 0 DGADMP Fc1cncc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC000281088596 216072197 /nfs/dbraw/zinc/07/21/97/216072197.db2.gz AEPYFJSXKGMFTN-GOSISDBHSA-N 2 1 303.425 3.136 20 0 DGADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237733851 202341492 /nfs/dbraw/zinc/34/14/92/202341492.db2.gz WMNGYFUKNODBPQ-NRFANRHFSA-N 2 1 324.468 3.148 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@@H+]1Cc1ccccc1 ZINC000188581948 200270795 /nfs/dbraw/zinc/27/07/95/200270795.db2.gz OIBYGRFJDPLJKB-NEWSRXKRSA-N 2 1 300.446 3.322 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@H+]1Cc1ccccc1 ZINC000188581948 200270797 /nfs/dbraw/zinc/27/07/97/200270797.db2.gz OIBYGRFJDPLJKB-NEWSRXKRSA-N 2 1 300.446 3.322 20 0 DGADMP c1ccc(SC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420307602 237695323 /nfs/dbraw/zinc/69/53/23/237695323.db2.gz RNMKXIFMYGUGMC-IRXDYDNUSA-N 2 1 304.503 3.490 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134882298 432087611 /nfs/dbraw/zinc/08/76/11/432087611.db2.gz RVFNVOUWRHSIBO-GDBMZVCRSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134882298 432087613 /nfs/dbraw/zinc/08/76/13/432087613.db2.gz RVFNVOUWRHSIBO-GDBMZVCRSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000134882298 432087614 /nfs/dbraw/zinc/08/76/14/432087614.db2.gz RVFNVOUWRHSIBO-GDBMZVCRSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000134882298 432087616 /nfs/dbraw/zinc/08/76/16/432087616.db2.gz RVFNVOUWRHSIBO-GDBMZVCRSA-N 2 1 305.491 3.209 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189084263 200345556 /nfs/dbraw/zinc/34/55/56/200345556.db2.gz WQWIAACCPMBWBP-QUCCMNQESA-N 2 1 316.489 3.098 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281151414 216113498 /nfs/dbraw/zinc/11/34/98/216113498.db2.gz GOCUWBHZGJODRX-AEFFLSMTSA-N 2 1 301.478 3.490 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500233 237854444 /nfs/dbraw/zinc/85/44/44/237854444.db2.gz KGNWGGRSLMMNID-CXAGYDPISA-N 2 1 320.477 3.050 20 0 DGADMP CCOC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000189347132 200386031 /nfs/dbraw/zinc/38/60/31/200386031.db2.gz AOLMSTHWRVHPRX-FQEVSTJZSA-N 2 1 318.505 3.344 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CC=CCC2)cc1 ZINC000281175974 216132304 /nfs/dbraw/zinc/13/23/04/216132304.db2.gz QHEMVTIZKFKGET-INIZCTEOSA-N 2 1 310.445 3.093 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000425947663 237959598 /nfs/dbraw/zinc/95/95/98/237959598.db2.gz VYZMJKKTEATOMX-IUODEOHRSA-N 2 1 318.383 3.180 20 0 DGADMP C[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226758 238012589 /nfs/dbraw/zinc/01/25/89/238012589.db2.gz HLUYTMCTBKVEQN-VBSBHUPXSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1CN(c2cccc(F)c2)CCN1CC[C@H]1CCCC[N@H+]1C ZINC000429239997 238044561 /nfs/dbraw/zinc/04/45/61/238044561.db2.gz SICCZLLYXJXBFR-FUHWJXTLSA-N 2 1 319.468 3.211 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCC2 ZINC000246060138 432090479 /nfs/dbraw/zinc/09/04/79/432090479.db2.gz BGZIZGUCWASHCX-ICSRJNTNSA-N 2 1 316.489 3.199 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)COCc1ccccc1 ZINC000281263484 216195136 /nfs/dbraw/zinc/19/51/36/216195136.db2.gz FIOVWBDZVQPQPB-UHFFFAOYSA-N 2 1 301.434 3.167 20 0 DGADMP C[C@](C[NH3+])([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000430547393 238079372 /nfs/dbraw/zinc/07/93/72/238079372.db2.gz KWDYTMGRCFUPMW-HXUWFJFHSA-N 2 1 323.440 3.156 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000430582882 238080618 /nfs/dbraw/zinc/08/06/18/238080618.db2.gz MCSSDMSFSOGMSX-CYBMUJFWSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000430582882 238080620 /nfs/dbraw/zinc/08/06/20/238080620.db2.gz MCSSDMSFSOGMSX-CYBMUJFWSA-N 2 1 316.367 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1[NH3+] ZINC000430937838 238090468 /nfs/dbraw/zinc/09/04/68/238090468.db2.gz FQYIHBCFOQETEV-NVXWUHKLSA-N 2 1 320.440 3.170 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430969701 238091374 /nfs/dbraw/zinc/09/13/74/238091374.db2.gz DRSJSATVDKGDTN-DNVCBOLYSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430969701 238091375 /nfs/dbraw/zinc/09/13/75/238091375.db2.gz DRSJSATVDKGDTN-DNVCBOLYSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCO1 ZINC000432369178 238126511 /nfs/dbraw/zinc/12/65/11/238126511.db2.gz UHJVTAABKPNIOZ-RBSFLKMASA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCO1 ZINC000432369178 238126512 /nfs/dbraw/zinc/12/65/12/238126512.db2.gz UHJVTAABKPNIOZ-RBSFLKMASA-N 2 1 322.415 3.198 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)(C)C ZINC000433340014 238156518 /nfs/dbraw/zinc/15/65/18/238156518.db2.gz NUBDNJCBCOJJAJ-MRXNPFEDSA-N 2 1 304.438 3.126 20 0 DGADMP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)o1 ZINC000246073599 432091908 /nfs/dbraw/zinc/09/19/08/432091908.db2.gz SLLLVVCYBBGDGP-HUUCEWRRSA-N 2 1 320.481 3.416 20 0 DGADMP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000246073599 432091913 /nfs/dbraw/zinc/09/19/13/432091913.db2.gz SLLLVVCYBBGDGP-HUUCEWRRSA-N 2 1 320.481 3.416 20 0 DGADMP C[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1 ZINC000271972832 209351400 /nfs/dbraw/zinc/35/14/00/209351400.db2.gz IKIMFTVBJYNCCA-MRXNPFEDSA-N 2 1 320.452 3.164 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCCc3ccncc3)CC2)n2c1CCCC2 ZINC000434665646 238225928 /nfs/dbraw/zinc/22/59/28/238225928.db2.gz OSASEMNDXNRJEH-UHFFFAOYSA-N 2 1 324.472 3.427 20 0 DGADMP COCCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435694982 238339100 /nfs/dbraw/zinc/33/91/00/238339100.db2.gz MUXOXVAXXRHPDX-INIZCTEOSA-N 2 1 308.491 3.119 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000281412903 216282511 /nfs/dbraw/zinc/28/25/11/216282511.db2.gz ZLOAAXGZCDKXBC-KZNAEPCWSA-N 2 1 313.489 3.490 20 0 DGADMP C/C=C/C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193301021 201023903 /nfs/dbraw/zinc/02/39/03/201023903.db2.gz FOMQSTNUXNVGCM-RNGKQSAXSA-N 2 1 314.473 3.099 20 0 DGADMP C=Cn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000194048962 201170017 /nfs/dbraw/zinc/17/00/17/201170017.db2.gz PGDFPFWPZJIHDY-QGZVFWFLSA-N 2 1 316.493 3.460 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000171050277 432097862 /nfs/dbraw/zinc/09/78/62/432097862.db2.gz QJTQAJMNHOFEBN-UHFFFAOYSA-N 2 1 300.446 3.315 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441458575 239054385 /nfs/dbraw/zinc/05/43/85/239054385.db2.gz OYWIWZQWUGFJCH-QRVBRYPASA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441458575 239054389 /nfs/dbraw/zinc/05/43/89/239054389.db2.gz OYWIWZQWUGFJCH-QRVBRYPASA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788626 239125224 /nfs/dbraw/zinc/12/52/24/239125224.db2.gz YCZQFGYJVNBPBM-BZUAXINKSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788626 239125232 /nfs/dbraw/zinc/12/52/32/239125232.db2.gz YCZQFGYJVNBPBM-BZUAXINKSA-N 2 1 311.473 3.345 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000271855959 209272187 /nfs/dbraw/zinc/27/21/87/209272187.db2.gz UROOXIZVJLGXHK-UHFFFAOYSA-N 2 1 319.880 3.292 20 0 DGADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589714 239215843 /nfs/dbraw/zinc/21/58/43/239215843.db2.gz GSOFNFCVWIWQSJ-MRXNPFEDSA-N 2 1 324.509 3.305 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449105172 240019064 /nfs/dbraw/zinc/01/90/64/240019064.db2.gz HHPGPFCBUCXAIE-HNNXBMFYSA-N 2 1 316.445 3.064 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)CC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000449228374 240079027 /nfs/dbraw/zinc/07/90/27/240079027.db2.gz YMGVETXBGQROAL-AWEZNQCLSA-N 2 1 304.482 3.477 20 0 DGADMP Cc1cccc(CC[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000449264950 240098129 /nfs/dbraw/zinc/09/81/29/240098129.db2.gz NXEXQXRTKJWPKK-OAQYLSRUSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000449264950 240098132 /nfs/dbraw/zinc/09/81/32/240098132.db2.gz NXEXQXRTKJWPKK-OAQYLSRUSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000449264950 240098137 /nfs/dbraw/zinc/09/81/37/240098137.db2.gz NXEXQXRTKJWPKK-OAQYLSRUSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000449264950 240098143 /nfs/dbraw/zinc/09/81/43/240098143.db2.gz NXEXQXRTKJWPKK-OAQYLSRUSA-N 2 1 323.484 3.386 20 0 DGADMP Cc1cccc(CC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000449264950 240098147 /nfs/dbraw/zinc/09/81/47/240098147.db2.gz NXEXQXRTKJWPKK-OAQYLSRUSA-N 2 1 323.484 3.386 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccnn3C3CCCC3)C2)CC1 ZINC000449323886 240132531 /nfs/dbraw/zinc/13/25/31/240132531.db2.gz BJTZYPBWAZCHEC-QGZVFWFLSA-N 2 1 316.493 3.162 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000091336538 193043517 /nfs/dbraw/zinc/04/35/17/193043517.db2.gz XNLMGZQKGAUBNK-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)cc1 ZINC000091336491 193043673 /nfs/dbraw/zinc/04/36/73/193043673.db2.gz XKFIKHHCYPFVDO-UXHICEINSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000091472132 193060929 /nfs/dbraw/zinc/06/09/29/193060929.db2.gz QQPRINPGPSTEFS-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000091472132 193060931 /nfs/dbraw/zinc/06/09/31/193060931.db2.gz QQPRINPGPSTEFS-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451812517 241243847 /nfs/dbraw/zinc/24/38/47/241243847.db2.gz QXPVIMSVKNYZBH-SFHVURJKSA-N 2 1 313.445 3.164 20 0 DGADMP C[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000271785314 209214301 /nfs/dbraw/zinc/21/43/01/209214301.db2.gz FLUKVRBPIKMDHY-ZDUSSCGKSA-N 2 1 323.278 3.404 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000271780391 209207109 /nfs/dbraw/zinc/20/71/09/209207109.db2.gz DSAAVTYYNRKNJT-UHFFFAOYSA-N 2 1 301.821 3.240 20 0 DGADMP CC[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000091929864 284003875 /nfs/dbraw/zinc/00/38/75/284003875.db2.gz SGAYHWVTTPJLIQ-QGZVFWFLSA-N 2 1 315.505 3.449 20 0 DGADMP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604651 284013039 /nfs/dbraw/zinc/01/30/39/284013039.db2.gz REXSCZHFULAHBI-SFHVURJKSA-N 2 1 303.494 3.452 20 0 DGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604651 284013044 /nfs/dbraw/zinc/01/30/44/284013044.db2.gz REXSCZHFULAHBI-SFHVURJKSA-N 2 1 303.494 3.452 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000459734079 243475118 /nfs/dbraw/zinc/47/51/18/243475118.db2.gz GSEKAWXMQAIHSJ-MAUKXSAKSA-N 2 1 304.503 3.339 20 0 DGADMP Cc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016836 193195176 /nfs/dbraw/zinc/19/51/76/193195176.db2.gz WADHTBCYSSINCI-SFHVURJKSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016836 193195177 /nfs/dbraw/zinc/19/51/77/193195177.db2.gz WADHTBCYSSINCI-SFHVURJKSA-N 2 1 301.478 3.478 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000471836063 244256393 /nfs/dbraw/zinc/25/63/93/244256393.db2.gz IFQPMFRDKLTMKF-WOJBJXKFSA-N 2 1 309.457 3.254 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000181267395 432120714 /nfs/dbraw/zinc/12/07/14/432120714.db2.gz OJUCISAXQKVEPO-ZIFCJYIRSA-N 2 1 315.505 3.495 20 0 DGADMP Fc1cccc(F)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735192 193298110 /nfs/dbraw/zinc/29/81/10/193298110.db2.gz ADCXADDKRZJVQM-UHFFFAOYSA-N 2 1 324.415 3.042 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770312 193302953 /nfs/dbraw/zinc/30/29/53/193302953.db2.gz ATIKMPAQBUZZFO-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770312 193302955 /nfs/dbraw/zinc/30/29/55/193302955.db2.gz ATIKMPAQBUZZFO-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770312 193302957 /nfs/dbraw/zinc/30/29/57/193302957.db2.gz ATIKMPAQBUZZFO-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093770312 193302958 /nfs/dbraw/zinc/30/29/58/193302958.db2.gz ATIKMPAQBUZZFO-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982073 193334435 /nfs/dbraw/zinc/33/44/35/193334435.db2.gz AHDAJFGTRCAPQB-SNVBAGLBSA-N 2 1 303.219 3.018 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000093820468 193312733 /nfs/dbraw/zinc/31/27/33/193312733.db2.gz XZQCBANFEZTBKL-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000093820468 193312735 /nfs/dbraw/zinc/31/27/35/193312735.db2.gz XZQCBANFEZTBKL-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820468 193312737 /nfs/dbraw/zinc/31/27/37/193312737.db2.gz XZQCBANFEZTBKL-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093820468 193312739 /nfs/dbraw/zinc/31/27/39/193312739.db2.gz XZQCBANFEZTBKL-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP CCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000093844514 193318045 /nfs/dbraw/zinc/31/80/45/193318045.db2.gz ZQELMBDQLRZTGX-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982072 193333627 /nfs/dbraw/zinc/33/36/27/193333627.db2.gz AHDAJFGTRCAPQB-JTQLQIEISA-N 2 1 303.219 3.018 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094338787 193361509 /nfs/dbraw/zinc/36/15/09/193361509.db2.gz VCRKSBANYXVNCQ-MFKMUULPSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094338787 193361511 /nfs/dbraw/zinc/36/15/11/193361511.db2.gz VCRKSBANYXVNCQ-MFKMUULPSA-N 2 1 304.381 3.468 20 0 DGADMP CCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1F ZINC000487213328 245036120 /nfs/dbraw/zinc/03/61/20/245036120.db2.gz AVTSLQNNROKIHX-UHFFFAOYSA-N 2 1 308.441 3.436 20 0 DGADMP Cc1ccc(N2CCC([NH2+]C/C=C\c3ccncc3)CC2)[nH+]c1 ZINC000487307944 245048105 /nfs/dbraw/zinc/04/81/05/245048105.db2.gz ZUNOPLNCNOKLSH-IHWYPQMZSA-N 2 1 308.429 3.057 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122818865 284226284 /nfs/dbraw/zinc/22/62/84/284226284.db2.gz MNNVBMPEAJIFMX-FMKPAKJESA-N 2 1 318.461 3.011 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000488362176 245180647 /nfs/dbraw/zinc/18/06/47/245180647.db2.gz CCHRSZNWVMIPGD-UYAOXDASSA-N 2 1 316.489 3.413 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000282484149 217031324 /nfs/dbraw/zinc/03/13/24/217031324.db2.gz LXVFOBCBGYOPKM-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000282484149 217031326 /nfs/dbraw/zinc/03/13/26/217031326.db2.gz LXVFOBCBGYOPKM-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCO ZINC000282491342 217035893 /nfs/dbraw/zinc/03/58/93/217035893.db2.gz MNYNWAVIYHDEAN-GOSISDBHSA-N 2 1 304.478 3.039 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCO ZINC000282491342 217035896 /nfs/dbraw/zinc/03/58/96/217035896.db2.gz MNYNWAVIYHDEAN-GOSISDBHSA-N 2 1 304.478 3.039 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282573188 217098394 /nfs/dbraw/zinc/09/83/94/217098394.db2.gz ZBNDRDQAXZTKQW-LZLYRXPVSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282573188 217098397 /nfs/dbraw/zinc/09/83/97/217098397.db2.gz ZBNDRDQAXZTKQW-LZLYRXPVSA-N 2 1 304.478 3.300 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(OC)c2)[C@@H](C)C1 ZINC000246405803 432127263 /nfs/dbraw/zinc/12/72/63/432127263.db2.gz MBLPVHADRACETM-MAUKXSAKSA-N 2 1 304.478 3.293 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)no1 ZINC000282783104 217247445 /nfs/dbraw/zinc/24/74/45/217247445.db2.gz VVODKVIYJKIUQE-OAHLLOKOSA-N 2 1 317.433 3.164 20 0 DGADMP CCCc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128370552 284373381 /nfs/dbraw/zinc/37/33/81/284373381.db2.gz XGJZTKCOVYKDFT-SFHVURJKSA-N 2 1 317.521 3.317 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000268778786 432133537 /nfs/dbraw/zinc/13/35/37/432133537.db2.gz CITREZYZFQUDCX-QGZVFWFLSA-N 2 1 301.459 3.202 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916875 246097124 /nfs/dbraw/zinc/09/71/24/246097124.db2.gz NLUDNGRXDQKIIX-ZJPYXAASSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493916875 246097129 /nfs/dbraw/zinc/09/71/29/246097129.db2.gz NLUDNGRXDQKIIX-ZJPYXAASSA-N 2 1 320.521 3.434 20 0 DGADMP COc1ccc2cc(CN3CC[C@H]4CC[N@@H+](C)C[C@@H]43)ccc2c1 ZINC000495126549 246238423 /nfs/dbraw/zinc/23/84/23/246238423.db2.gz HWHKKYDTXWOUBQ-UZLBHIALSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000268795210 432136334 /nfs/dbraw/zinc/13/63/34/432136334.db2.gz ZPIMKXLAHSFLHD-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000268795210 432136337 /nfs/dbraw/zinc/13/63/37/432136337.db2.gz ZPIMKXLAHSFLHD-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000268803239 432138790 /nfs/dbraw/zinc/13/87/90/432138790.db2.gz BPWVHEPDKQSNMA-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822691 432143223 /nfs/dbraw/zinc/14/32/23/432143223.db2.gz SMRRHFRZMAYCOX-LAUBAEHRSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822691 432143226 /nfs/dbraw/zinc/14/32/26/432143226.db2.gz SMRRHFRZMAYCOX-LAUBAEHRSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000042418835 183266789 /nfs/dbraw/zinc/26/67/89/183266789.db2.gz BOKKLSJCQMAOLA-JMSVASOKSA-N 2 1 311.267 3.267 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@H](C)C1 ZINC000274099684 211354940 /nfs/dbraw/zinc/35/49/40/211354940.db2.gz YDAFMLRCRBOYFM-OTBHMBEGSA-N 2 1 316.489 3.137 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1Br ZINC000105443159 194104741 /nfs/dbraw/zinc/10/47/41/194104741.db2.gz QSWPKGRUZJWZQY-LBPRGKRZSA-N 2 1 322.250 3.380 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@H](C)C1 ZINC000268834620 207001341 /nfs/dbraw/zinc/00/13/41/207001341.db2.gz UCFWORITCMGHFC-NVXWUHKLSA-N 2 1 302.462 3.047 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CCC2 ZINC000268850108 207017218 /nfs/dbraw/zinc/01/72/18/207017218.db2.gz KDTZNGFQDIVFCE-ZDUSSCGKSA-N 2 1 304.463 3.268 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000268852021 207019783 /nfs/dbraw/zinc/01/97/83/207019783.db2.gz WRIIDNLMNTWKND-JKSUJKDBSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000110644429 194346127 /nfs/dbraw/zinc/34/61/27/194346127.db2.gz FCRNOGNWVUQJSP-JTQLQIEISA-N 2 1 315.230 3.147 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000268869370 207037384 /nfs/dbraw/zinc/03/73/84/207037384.db2.gz JRQWQUGJNASZCB-LJQANCHMSA-N 2 1 314.473 3.217 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000268880169 207052075 /nfs/dbraw/zinc/05/20/75/207052075.db2.gz LHBWONSSTOPXPQ-UHFFFAOYSA-N 2 1 318.530 3.426 20 0 DGADMP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268898545 207067981 /nfs/dbraw/zinc/06/79/81/207067981.db2.gz KXCRBEPNDLLUKM-IBGZPJMESA-N 2 1 318.505 3.080 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000268889463 207057983 /nfs/dbraw/zinc/05/79/83/207057983.db2.gz JEHVCBDJNACJOG-MJGOQNOKSA-N 2 1 304.478 3.191 20 0 DGADMP CCOCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268905258 207072380 /nfs/dbraw/zinc/07/23/80/207072380.db2.gz XPZDTWIOYUCHCN-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268905258 207072382 /nfs/dbraw/zinc/07/23/82/207072382.db2.gz XPZDTWIOYUCHCN-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268925118 207092258 /nfs/dbraw/zinc/09/22/58/207092258.db2.gz RKJBNWWJQLEDHF-CVEARBPZSA-N 2 1 323.444 3.364 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000268952717 207117622 /nfs/dbraw/zinc/11/76/22/207117622.db2.gz DUKYPMMXFHTDRH-LJQANCHMSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(Br)s1)C[NH+]1CCCC1 ZINC000057994336 184065446 /nfs/dbraw/zinc/06/54/46/184065446.db2.gz PLDJJEGTOAMEHA-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000269038621 207186679 /nfs/dbraw/zinc/18/66/79/207186679.db2.gz WHHIPCWFJRZKOF-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000269038621 207186685 /nfs/dbraw/zinc/18/66/85/207186685.db2.gz WHHIPCWFJRZKOF-PXNSSMCTSA-N 2 1 309.457 3.267 20 0 DGADMP C[N@H+](Cc1sccc1Br)CC1CC[NH+](C)CC1 ZINC000063121443 184271796 /nfs/dbraw/zinc/27/17/96/184271796.db2.gz QXGOYIHPYIVCTR-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000269130790 207264802 /nfs/dbraw/zinc/26/48/02/207264802.db2.gz JXKCTIJTRMAUBQ-LJQANCHMSA-N 2 1 313.445 3.027 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000248634158 285012831 /nfs/dbraw/zinc/01/28/31/285012831.db2.gz JKDQXJRWICXUDE-DKYLXPRQSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430579869 532984678 /nfs/dbraw/zinc/98/46/78/532984678.db2.gz ZGBQTWLOFVWMCF-HZPDHXFCSA-N 2 1 311.429 3.433 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000119972497 195073036 /nfs/dbraw/zinc/07/30/36/195073036.db2.gz OHAWZIDGAFZKJV-OAHLLOKOSA-N 2 1 306.450 3.230 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000119918998 195062767 /nfs/dbraw/zinc/06/27/67/195062767.db2.gz QRLYNTUAYSCBHH-AWEZNQCLSA-N 2 1 306.450 3.086 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000249405111 285072250 /nfs/dbraw/zinc/07/22/50/285072250.db2.gz XCDBOZJTDPQDTC-LRDDRELGSA-N 2 1 323.278 3.368 20 0 DGADMP CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249407564 285072965 /nfs/dbraw/zinc/07/29/65/285072965.db2.gz UPVHFLNDZIBNQE-AABGKKOBSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249407564 285072966 /nfs/dbraw/zinc/07/29/66/285072966.db2.gz UPVHFLNDZIBNQE-AABGKKOBSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249407564 285072967 /nfs/dbraw/zinc/07/29/67/285072967.db2.gz UPVHFLNDZIBNQE-AABGKKOBSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000336854251 253008634 /nfs/dbraw/zinc/00/86/34/253008634.db2.gz NMEPMPQZOYSQGY-TZMCWYRMSA-N 2 1 324.852 3.074 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000336854251 253008636 /nfs/dbraw/zinc/00/86/36/253008636.db2.gz NMEPMPQZOYSQGY-TZMCWYRMSA-N 2 1 324.852 3.074 20 0 DGADMP Cc1nc2sccn2c1C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336856681 253009659 /nfs/dbraw/zinc/00/96/59/253009659.db2.gz NOWQBCMZFRDUQH-UHFFFAOYSA-N 2 1 317.462 3.121 20 0 DGADMP Cc1nc2sccn2c1C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336856681 253009662 /nfs/dbraw/zinc/00/96/62/253009662.db2.gz NOWQBCMZFRDUQH-UHFFFAOYSA-N 2 1 317.462 3.121 20 0 DGADMP Cc1cc(C)n(CCN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000336873079 253016095 /nfs/dbraw/zinc/01/60/95/253016095.db2.gz RPFUVYWPWXGJMS-IEBWSBKVSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000336873079 253016097 /nfs/dbraw/zinc/01/60/97/253016097.db2.gz RPFUVYWPWXGJMS-IEBWSBKVSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000336873079 253016099 /nfs/dbraw/zinc/01/60/99/253016099.db2.gz RPFUVYWPWXGJMS-IEBWSBKVSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336873079 253016102 /nfs/dbraw/zinc/01/61/02/253016102.db2.gz RPFUVYWPWXGJMS-IEBWSBKVSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336873079 253016104 /nfs/dbraw/zinc/01/61/04/253016104.db2.gz RPFUVYWPWXGJMS-IEBWSBKVSA-N 2 1 318.509 3.086 20 0 DGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccs1 ZINC000337321319 253086220 /nfs/dbraw/zinc/08/62/20/253086220.db2.gz CBWKEFFXOGNYOD-UHFFFAOYSA-N 2 1 323.550 3.375 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337230181 253066110 /nfs/dbraw/zinc/06/61/10/253066110.db2.gz SRXOZQAKZCANAJ-UHFFFAOYSA-N 2 1 318.461 3.170 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337230181 253066111 /nfs/dbraw/zinc/06/61/11/253066111.db2.gz SRXOZQAKZCANAJ-UHFFFAOYSA-N 2 1 318.461 3.170 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373545 253100016 /nfs/dbraw/zinc/10/00/16/253100016.db2.gz FGZCFHKAUCSVCZ-JKSUJKDBSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373545 253100018 /nfs/dbraw/zinc/10/00/18/253100018.db2.gz FGZCFHKAUCSVCZ-JKSUJKDBSA-N 2 1 322.493 3.263 20 0 DGADMP CC[N@H+](CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)C(C)C ZINC000337386681 253103473 /nfs/dbraw/zinc/10/34/73/253103473.db2.gz LPWFQEIFQLBEOM-INIZCTEOSA-N 2 1 322.493 3.263 20 0 DGADMP CC[N@@H+](CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)C(C)C ZINC000337386681 253103475 /nfs/dbraw/zinc/10/34/75/253103475.db2.gz LPWFQEIFQLBEOM-INIZCTEOSA-N 2 1 322.493 3.263 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337444416 253116992 /nfs/dbraw/zinc/11/69/92/253116992.db2.gz ZLMFEKLUOSBATQ-KBPBESRZSA-N 2 1 301.381 3.112 20 0 DGADMP FC(F)O[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000337568812 253140846 /nfs/dbraw/zinc/14/08/46/253140846.db2.gz ZUOIGUCPZYXHDU-SJORKVTESA-N 2 1 324.415 3.401 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435626006 285095047 /nfs/dbraw/zinc/09/50/47/285095047.db2.gz JLMOPYMKERDVJS-QGZVFWFLSA-N 2 1 301.409 3.338 20 0 DGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000337999488 253207192 /nfs/dbraw/zinc/20/71/92/253207192.db2.gz UIJYFBUCWCLLCL-IRXDYDNUSA-N 2 1 312.473 3.139 20 0 DGADMP C[C@H](OCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000252643763 285103058 /nfs/dbraw/zinc/10/30/58/285103058.db2.gz GIESOWGBRPJLJG-LSTDLKDCSA-N 2 1 304.478 3.473 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000252715979 285104347 /nfs/dbraw/zinc/10/43/47/285104347.db2.gz XHBZSFPONJUOBW-IINYFYTJSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000252715979 285104349 /nfs/dbraw/zinc/10/43/49/285104349.db2.gz XHBZSFPONJUOBW-IINYFYTJSA-N 2 1 315.230 3.018 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338430003 253286023 /nfs/dbraw/zinc/28/60/23/253286023.db2.gz ISXZXYXVLLRUHN-XLAORIBOSA-N 2 1 323.525 3.019 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000338437688 253287059 /nfs/dbraw/zinc/28/70/59/253287059.db2.gz PHQWWUXWYNSTON-UHFFFAOYSA-N 2 1 323.444 3.080 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159280702 197341869 /nfs/dbraw/zinc/34/18/69/197341869.db2.gz UVARDIUDKZNXRS-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159280702 197341871 /nfs/dbraw/zinc/34/18/71/197341871.db2.gz UVARDIUDKZNXRS-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159280702 197341873 /nfs/dbraw/zinc/34/18/73/197341873.db2.gz UVARDIUDKZNXRS-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000159146454 197330973 /nfs/dbraw/zinc/33/09/73/197330973.db2.gz LBCHHJQHINFAKC-CYBMUJFWSA-N 2 1 312.404 3.116 20 0 DGADMP COCCOc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415086348 285119227 /nfs/dbraw/zinc/11/92/27/285119227.db2.gz UKKZWGSMFIAWRF-FUHWJXTLSA-N 2 1 320.477 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCSCc1ccccc1F ZINC000158778751 197301206 /nfs/dbraw/zinc/30/12/06/197301206.db2.gz QDFRSQZQJBHIKA-CKEIUWERSA-N 2 1 310.482 3.377 20 0 DGADMP Cc1cnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000340919108 253709670 /nfs/dbraw/zinc/70/96/70/253709670.db2.gz XRWVLLLQGSZXEV-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000340919108 253709672 /nfs/dbraw/zinc/70/96/72/253709672.db2.gz XRWVLLLQGSZXEV-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC2(C)C)[C@H](c2ccccc2)C1 ZINC000342663597 254028345 /nfs/dbraw/zinc/02/83/45/254028345.db2.gz JJDBUIZEPFINEP-RBUKOAKNSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342731551 254039448 /nfs/dbraw/zinc/03/94/48/254039448.db2.gz SDQBSNHPWUXKDI-MRXNPFEDSA-N 2 1 318.509 3.376 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncc(C)n2C)CC1 ZINC000342801040 254053529 /nfs/dbraw/zinc/05/35/29/254053529.db2.gz VWMDAGCDGGMERA-UHFFFAOYSA-N 2 1 306.498 3.063 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1C)CCS2 ZINC000343507392 254153311 /nfs/dbraw/zinc/15/33/11/254153311.db2.gz OVKIAAUTGURZKR-HNNXBMFYSA-N 2 1 303.431 3.027 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343529723 254156741 /nfs/dbraw/zinc/15/67/41/254156741.db2.gz CEEPYQSSSIXLOX-HZPDHXFCSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343529723 254156742 /nfs/dbraw/zinc/15/67/42/254156742.db2.gz CEEPYQSSSIXLOX-HZPDHXFCSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343529723 254156743 /nfs/dbraw/zinc/15/67/43/254156743.db2.gz CEEPYQSSSIXLOX-HZPDHXFCSA-N 2 1 312.498 3.303 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(-c2ccncc2)c1 ZINC000343585446 254164613 /nfs/dbraw/zinc/16/46/13/254164613.db2.gz XOHFYYNISYHIDY-PMACEKPBSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1ccnc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000343626797 254169651 /nfs/dbraw/zinc/16/96/51/254169651.db2.gz LOFXDCYVVUTWKB-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cc[nH+]c(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000343626797 254169652 /nfs/dbraw/zinc/16/96/52/254169652.db2.gz LOFXDCYVVUTWKB-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cc[nH+]c(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000343626797 254169653 /nfs/dbraw/zinc/16/96/53/254169653.db2.gz LOFXDCYVVUTWKB-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343838195 254194573 /nfs/dbraw/zinc/19/45/73/254194573.db2.gz JQGXWUUZGOTPFH-VIFPVBQESA-N 2 1 305.369 3.074 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343838195 254194575 /nfs/dbraw/zinc/19/45/75/254194575.db2.gz JQGXWUUZGOTPFH-VIFPVBQESA-N 2 1 305.369 3.074 20 0 DGADMP Cc1cc2[nH]c(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc2c(C)c1 ZINC000344065321 254219995 /nfs/dbraw/zinc/21/99/95/254219995.db2.gz OTJPRLIXABJOAL-HNNXBMFYSA-N 2 1 308.429 3.333 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1Br ZINC000344277013 254249605 /nfs/dbraw/zinc/24/96/05/254249605.db2.gz BTBWCPBEJIGTGM-GFCCVEGCSA-N 2 1 309.251 3.362 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)oc21 ZINC000344277904 254249783 /nfs/dbraw/zinc/24/97/83/254249783.db2.gz CIZZPPAPXBJWNY-CYBMUJFWSA-N 2 1 300.402 3.354 20 0 DGADMP CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000344632283 254291101 /nfs/dbraw/zinc/29/11/01/254291101.db2.gz QHRDIRDWSQSFGV-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1OCC ZINC000344632283 254291102 /nfs/dbraw/zinc/29/11/02/254291102.db2.gz QHRDIRDWSQSFGV-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000344632283 254291103 /nfs/dbraw/zinc/29/11/03/254291103.db2.gz QHRDIRDWSQSFGV-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000344632283 254291104 /nfs/dbraw/zinc/29/11/04/254291104.db2.gz QHRDIRDWSQSFGV-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[N@H+]1C ZINC000344633199 254291528 /nfs/dbraw/zinc/29/15/28/254291528.db2.gz RCSUGOIYLFYNJP-MLGOLLRUSA-N 2 1 318.852 3.302 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000157106376 197162080 /nfs/dbraw/zinc/16/20/80/197162080.db2.gz XDBPEXNUULKAOI-ZBFHGGJFSA-N 2 1 305.466 3.079 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000157106376 197162081 /nfs/dbraw/zinc/16/20/81/197162081.db2.gz XDBPEXNUULKAOI-ZBFHGGJFSA-N 2 1 305.466 3.079 20 0 DGADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664894 254294517 /nfs/dbraw/zinc/29/45/17/254294517.db2.gz IZHNEYSHMHERLQ-HKUYNNGSSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664894 254294519 /nfs/dbraw/zinc/29/45/19/254294519.db2.gz IZHNEYSHMHERLQ-HKUYNNGSSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664894 254294521 /nfs/dbraw/zinc/29/45/21/254294521.db2.gz IZHNEYSHMHERLQ-HKUYNNGSSA-N 3 1 317.521 3.217 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000345050482 254326557 /nfs/dbraw/zinc/32/65/57/254326557.db2.gz MWAIOEJYBAZSCN-FUHWJXTLSA-N 2 1 317.477 3.154 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000345172348 254336784 /nfs/dbraw/zinc/33/67/84/254336784.db2.gz WPCUEJWGAVDFJD-UHFFFAOYSA-N 2 1 300.446 3.270 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000345183611 254338490 /nfs/dbraw/zinc/33/84/90/254338490.db2.gz INNMAYRTHSXIQA-UHFFFAOYSA-N 2 1 316.836 3.082 20 0 DGADMP Cc1c([C@H](C)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cnn1C(C)(C)C ZINC000345319886 254352950 /nfs/dbraw/zinc/35/29/50/254352950.db2.gz YUXPWHIROPXMSZ-DCGLDWPTSA-N 2 1 304.482 3.080 20 0 DGADMP Cc1c([C@H](C)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cnn1C(C)(C)C ZINC000345319886 254352952 /nfs/dbraw/zinc/35/29/52/254352952.db2.gz YUXPWHIROPXMSZ-DCGLDWPTSA-N 2 1 304.482 3.080 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199564 197094469 /nfs/dbraw/zinc/09/44/69/197094469.db2.gz IHXYVLUBKUOGFZ-RVKKMQEKSA-N 2 1 302.462 3.294 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199564 197094471 /nfs/dbraw/zinc/09/44/71/197094471.db2.gz IHXYVLUBKUOGFZ-RVKKMQEKSA-N 2 1 302.462 3.294 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294690160 224169666 /nfs/dbraw/zinc/16/96/66/224169666.db2.gz ANSOLXOLEMIXTH-ZNSVDHJPSA-N 2 1 324.472 3.457 20 0 DGADMP OC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000274021489 285241818 /nfs/dbraw/zinc/24/18/18/285241818.db2.gz PLGQONWYSFOBAO-WBFXSEPVSA-N 2 1 314.473 3.033 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000290658163 285245006 /nfs/dbraw/zinc/24/50/06/285245006.db2.gz ZNKFPDOPPNXILF-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(C)(C)CO)cc1 ZINC000294837499 224255494 /nfs/dbraw/zinc/25/54/94/224255494.db2.gz QSZRYYKTEVQTDJ-AWEZNQCLSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1cnccc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000120696288 195218464 /nfs/dbraw/zinc/21/84/64/195218464.db2.gz OCUVRNGMQKYGET-QGZVFWFLSA-N 2 1 324.428 3.176 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271574434 209025806 /nfs/dbraw/zinc/02/58/06/209025806.db2.gz ZNBJWOMYSPJJJV-LNLFQRSKSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271574434 209025808 /nfs/dbraw/zinc/02/58/08/209025808.db2.gz ZNBJWOMYSPJJJV-LNLFQRSKSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271574428 209025822 /nfs/dbraw/zinc/02/58/22/209025822.db2.gz ZNBJWOMYSPJJJV-AOIWGVFYSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271574428 209025823 /nfs/dbraw/zinc/02/58/23/209025823.db2.gz ZNBJWOMYSPJJJV-AOIWGVFYSA-N 2 1 318.505 3.284 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000289525603 221039908 /nfs/dbraw/zinc/03/99/08/221039908.db2.gz VSBUGTWJPPZWSI-UHFFFAOYSA-N 2 1 322.403 3.129 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000289525603 221039911 /nfs/dbraw/zinc/03/99/11/221039911.db2.gz VSBUGTWJPPZWSI-UHFFFAOYSA-N 2 1 322.403 3.129 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000337565650 285314289 /nfs/dbraw/zinc/31/42/89/285314289.db2.gz AZCLMWYFYYNZTF-UONOGXRCSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000337565650 285314294 /nfs/dbraw/zinc/31/42/94/285314294.db2.gz AZCLMWYFYYNZTF-UONOGXRCSA-N 2 1 314.351 3.302 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289987399 221363386 /nfs/dbraw/zinc/36/33/86/221363386.db2.gz YEJNLCSKLMMKJV-AWEZNQCLSA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1F ZINC000352539677 285354697 /nfs/dbraw/zinc/35/46/97/285354697.db2.gz BRPTWKFBZNXJJJ-HOCLYGCPSA-N 2 1 308.441 3.216 20 0 DGADMP CSCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309978928 533565655 /nfs/dbraw/zinc/56/56/55/533565655.db2.gz UAAWYMYDABZKPI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309978928 533565658 /nfs/dbraw/zinc/56/56/58/533565658.db2.gz UAAWYMYDABZKPI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309978928 533565664 /nfs/dbraw/zinc/56/56/64/533565664.db2.gz UAAWYMYDABZKPI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1C(F)(F)F ZINC000414765871 533627872 /nfs/dbraw/zinc/62/78/72/533627872.db2.gz GPABDZJAPZYSGP-GASCZTMLSA-N 2 1 312.379 3.445 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000163951160 132127864 /nfs/dbraw/zinc/12/78/64/132127864.db2.gz SKWRCDUUQCGGOZ-KRWDZBQOSA-N 2 1 310.441 3.370 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Br)c1 ZINC000164119548 132129519 /nfs/dbraw/zinc/12/95/19/132129519.db2.gz YPPISIBZGOJXRP-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000447535303 292033166 /nfs/dbraw/zinc/03/31/66/292033166.db2.gz FBTFNZITRXHOMM-LSDHHAIUSA-N 2 1 322.449 3.371 20 0 DGADMP CCc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000357708583 285836588 /nfs/dbraw/zinc/83/65/88/285836588.db2.gz SJGUKKKZGUAXGS-UHFFFAOYSA-N 2 1 324.472 3.093 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975132 400085910 /nfs/dbraw/zinc/08/59/10/400085910.db2.gz CFNXDWHKCALNTH-AKNDPVLGSA-N 2 1 324.509 3.205 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751074 400097806 /nfs/dbraw/zinc/09/78/06/400097806.db2.gz UENNFNDQIBBYMU-CMKODMSKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751074 400097810 /nfs/dbraw/zinc/09/78/10/400097810.db2.gz UENNFNDQIBBYMU-CMKODMSKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751074 400097815 /nfs/dbraw/zinc/09/78/15/400097815.db2.gz UENNFNDQIBBYMU-CMKODMSKSA-N 2 1 317.521 3.215 20 0 DGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)c1[nH+]cnc2[nH]ccc21 ZINC000066816169 400122258 /nfs/dbraw/zinc/12/22/58/400122258.db2.gz LBMHYJSFKVCMBR-UHFFFAOYSA-N 2 1 309.417 3.046 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000595336418 400130292 /nfs/dbraw/zinc/13/02/92/400130292.db2.gz HMUUGMRSPOQGTB-RBUKOAKNSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000092043099 400149075 /nfs/dbraw/zinc/14/90/75/400149075.db2.gz JKAJUOOBCDBOKQ-GUYCJALGSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000092043099 400149077 /nfs/dbraw/zinc/14/90/77/400149077.db2.gz JKAJUOOBCDBOKQ-GUYCJALGSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000092043099 400149081 /nfs/dbraw/zinc/14/90/81/400149081.db2.gz JKAJUOOBCDBOKQ-GUYCJALGSA-N 2 1 302.393 3.488 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043620 400149597 /nfs/dbraw/zinc/14/95/97/400149597.db2.gz MVEWBLDMRXCSIB-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043620 400149605 /nfs/dbraw/zinc/14/96/05/400149605.db2.gz MVEWBLDMRXCSIB-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043620 400149610 /nfs/dbraw/zinc/14/96/10/400149610.db2.gz MVEWBLDMRXCSIB-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043620 400149616 /nfs/dbraw/zinc/14/96/16/400149616.db2.gz MVEWBLDMRXCSIB-ZBFHGGJFSA-N 2 1 305.491 3.327 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cn1 ZINC000092743040 400200518 /nfs/dbraw/zinc/20/05/18/400200518.db2.gz LUQQLRBGAWEWQP-AWEZNQCLSA-N 2 1 317.408 3.012 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cn1 ZINC000092743042 400200594 /nfs/dbraw/zinc/20/05/94/400200594.db2.gz LUQQLRBGAWEWQP-CQSZACIVSA-N 2 1 317.408 3.012 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(=O)OC(C)(C)C ZINC000595605505 400201388 /nfs/dbraw/zinc/20/13/88/400201388.db2.gz JVSWEAANFVTZEC-AWEZNQCLSA-N 2 1 309.454 3.024 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(=O)OC(C)(C)C ZINC000595605505 400201394 /nfs/dbraw/zinc/20/13/94/400201394.db2.gz JVSWEAANFVTZEC-AWEZNQCLSA-N 2 1 309.454 3.024 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589196485 400273918 /nfs/dbraw/zinc/27/39/18/400273918.db2.gz HTPWMPXXAXMRBR-UHFFFAOYSA-N 2 1 320.477 3.416 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589196485 400273923 /nfs/dbraw/zinc/27/39/23/400273923.db2.gz HTPWMPXXAXMRBR-UHFFFAOYSA-N 2 1 320.477 3.416 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)cs1 ZINC000401826611 400291591 /nfs/dbraw/zinc/29/15/91/400291591.db2.gz DKDYZUTVLUQWIC-VIFPVBQESA-N 2 1 314.252 3.137 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000385858256 400262148 /nfs/dbraw/zinc/26/21/48/400262148.db2.gz GCEVSXSJJZYMJM-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)[C@H](C)C1 ZINC000596118275 400321575 /nfs/dbraw/zinc/32/15/75/400321575.db2.gz VBMHVNQQYIOURR-PVAVHDDUSA-N 2 1 324.509 3.064 20 0 DGADMP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754093 400341653 /nfs/dbraw/zinc/34/16/53/400341653.db2.gz BLMDBXDHZLBHGD-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000611439303 400402005 /nfs/dbraw/zinc/40/20/05/400402005.db2.gz SXPAUXLMDDOANY-PBHICJAKSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000611439303 400402010 /nfs/dbraw/zinc/40/20/10/400402010.db2.gz SXPAUXLMDDOANY-PBHICJAKSA-N 2 1 318.461 3.214 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860471 400409469 /nfs/dbraw/zinc/40/94/69/400409469.db2.gz BHLITOPMXIAJGL-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860471 400409473 /nfs/dbraw/zinc/40/94/73/400409473.db2.gz BHLITOPMXIAJGL-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860471 400409475 /nfs/dbraw/zinc/40/94/75/400409475.db2.gz BHLITOPMXIAJGL-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000072860471 400409479 /nfs/dbraw/zinc/40/94/79/400409479.db2.gz BHLITOPMXIAJGL-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1ccc[nH+]c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000121267974 400453826 /nfs/dbraw/zinc/45/38/26/400453826.db2.gz VIGLZXSMNHTFDG-UHFFFAOYSA-N 2 1 311.429 3.477 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000591082559 400484045 /nfs/dbraw/zinc/48/40/45/400484045.db2.gz PMUAAOHVTNDHEF-KRWDZBQOSA-N 2 1 310.376 3.408 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000165908054 400753802 /nfs/dbraw/zinc/75/38/02/400753802.db2.gz CESLKRWDKURYQM-IBGZPJMESA-N 2 1 322.468 3.093 20 0 DGADMP Brc1ccc(/C=C/CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000604997456 400825580 /nfs/dbraw/zinc/82/55/80/400825580.db2.gz YNWDKBMGDROYTR-WHPAVKHQSA-N 2 1 321.262 3.004 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598980033 400919417 /nfs/dbraw/zinc/91/94/17/400919417.db2.gz GKASVNZVCVCKEB-HUUCEWRRSA-N 2 1 312.498 3.063 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000598994426 400922976 /nfs/dbraw/zinc/92/29/76/400922976.db2.gz MPVGDNILIBFMPU-BZSNNMDCSA-N 2 1 324.509 3.210 20 0 DGADMP COC(=O)CC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000599026727 400931614 /nfs/dbraw/zinc/93/16/14/400931614.db2.gz YGIOKYSLKSYQJF-WWDZGPRUSA-N 2 1 324.509 3.210 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629654887 401020947 /nfs/dbraw/zinc/02/09/47/401020947.db2.gz JFDDBSKIQGRLRZ-DZGCQCFKSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629654887 401020955 /nfs/dbraw/zinc/02/09/55/401020955.db2.gz JFDDBSKIQGRLRZ-DZGCQCFKSA-N 2 1 323.362 3.194 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629652418 401018809 /nfs/dbraw/zinc/01/88/09/401018809.db2.gz AHFJJVJOKAJAOU-SNPRPXQTSA-N 2 1 300.368 3.249 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000629656015 401020748 /nfs/dbraw/zinc/02/07/48/401020748.db2.gz MNLQKZOSTMBDIM-UXIGCNINSA-N 2 1 318.358 3.388 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)CO2 ZINC000629649543 401015960 /nfs/dbraw/zinc/01/59/60/401015960.db2.gz CRKBAUQFMPZJCH-IBGZPJMESA-N 2 1 312.457 3.174 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000629532990 400963078 /nfs/dbraw/zinc/96/30/78/400963078.db2.gz CDSJGWYCBLCGGO-MSOLQXFVSA-N 2 1 309.457 3.365 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000629549219 400971148 /nfs/dbraw/zinc/97/11/48/400971148.db2.gz SWHZVOJWCVVMOR-TZMCWYRMSA-N 2 1 315.383 3.440 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1 ZINC000629561507 400976050 /nfs/dbraw/zinc/97/60/50/400976050.db2.gz IEEGCSIRPXQYEK-HUUCEWRRSA-N 2 1 300.368 3.263 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561873 400977692 /nfs/dbraw/zinc/97/76/92/400977692.db2.gz LBPAVFNLIFLBPX-OSMZGAPFSA-N 2 1 304.331 3.346 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561873 400977697 /nfs/dbraw/zinc/97/76/97/400977697.db2.gz LBPAVFNLIFLBPX-OSMZGAPFSA-N 2 1 304.331 3.346 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@H]1C(F)(F)F ZINC000629561935 400978268 /nfs/dbraw/zinc/97/82/68/400978268.db2.gz KPHHKNQHEVXCNY-HUUCEWRRSA-N 2 1 322.415 3.042 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564828 400980515 /nfs/dbraw/zinc/98/05/15/400980515.db2.gz UNZDFHZEBOGJDV-CVEARBPZSA-N 2 1 314.395 3.387 20 0 DGADMP CC[C@H]([NH3+])Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629733516 401064632 /nfs/dbraw/zinc/06/46/32/401064632.db2.gz WKCBWCSNFUDLKJ-NRFANRHFSA-N 2 1 324.468 3.466 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248146134 401066886 /nfs/dbraw/zinc/06/68/86/401066886.db2.gz QFHZRARSQLPOBK-BBRMVZONSA-N 2 1 308.853 3.485 20 0 DGADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000629653383 401021181 /nfs/dbraw/zinc/02/11/81/401021181.db2.gz IPJLOCYDHVEVSU-WOJBJXKFSA-N 2 1 311.473 3.197 20 0 DGADMP CC(C)(C)OC(=O)CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246701126 401034691 /nfs/dbraw/zinc/03/46/91/401034691.db2.gz NCVNYWJNIFLLQU-HOTGVXAUSA-N 2 1 310.482 3.105 20 0 DGADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000629699686 401046471 /nfs/dbraw/zinc/04/64/71/401046471.db2.gz AYJRCDLZFAJLSY-CYBMUJFWSA-N 2 1 313.470 3.440 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225335 286003276 /nfs/dbraw/zinc/00/32/76/286003276.db2.gz CPEWGLXHWLNDJV-KDOFPFPSSA-N 2 1 316.470 3.132 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225335 286003277 /nfs/dbraw/zinc/00/32/77/286003277.db2.gz CPEWGLXHWLNDJV-KDOFPFPSSA-N 2 1 316.470 3.132 20 0 DGADMP COc1ccc(COCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000594720835 401159840 /nfs/dbraw/zinc/15/98/40/401159840.db2.gz RTKJCNLNEUNTTA-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000607956450 401160094 /nfs/dbraw/zinc/16/00/94/401160094.db2.gz HDGWYALOTPQZMU-CQSZACIVSA-N 2 1 306.450 3.056 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000630060981 401173616 /nfs/dbraw/zinc/17/36/16/401173616.db2.gz UZQGAZBIKNKIPZ-YSIASYRMSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000630060981 401173623 /nfs/dbraw/zinc/17/36/23/401173623.db2.gz UZQGAZBIKNKIPZ-YSIASYRMSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317607 286030025 /nfs/dbraw/zinc/03/00/25/286030025.db2.gz KYGANIHLFBSNRQ-DAXOMENPSA-N 2 1 306.425 3.358 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317607 286030027 /nfs/dbraw/zinc/03/00/27/286030027.db2.gz KYGANIHLFBSNRQ-DAXOMENPSA-N 2 1 306.425 3.358 20 0 DGADMP CCOCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000625977456 401270356 /nfs/dbraw/zinc/27/03/56/401270356.db2.gz JCWYAMOLNDBCDK-LJQANCHMSA-N 2 1 313.445 3.218 20 0 DGADMP CCOCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000625977456 401270359 /nfs/dbraw/zinc/27/03/59/401270359.db2.gz JCWYAMOLNDBCDK-LJQANCHMSA-N 2 1 313.445 3.218 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358361377 286041607 /nfs/dbraw/zinc/04/16/07/286041607.db2.gz WOADHWZXMAAQCE-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358361377 286041608 /nfs/dbraw/zinc/04/16/08/286041608.db2.gz WOADHWZXMAAQCE-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000358366250 286043016 /nfs/dbraw/zinc/04/30/16/286043016.db2.gz IDYPJAGJPGGOAN-AWEZNQCLSA-N 2 1 317.260 3.446 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000358349754 286039155 /nfs/dbraw/zinc/03/91/55/286039155.db2.gz ICVPOVFWFJTJGR-FUHWJXTLSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090087315 401255370 /nfs/dbraw/zinc/25/53/70/401255370.db2.gz HLTMVARCLDDGRU-KRWDZBQOSA-N 2 1 318.505 3.080 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1F ZINC000626123842 401306152 /nfs/dbraw/zinc/30/61/52/401306152.db2.gz AYXSVNMNQLCBQL-SJORKVTESA-N 2 1 320.452 3.498 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634686768 401334962 /nfs/dbraw/zinc/33/49/62/401334962.db2.gz RPAZVUXQZSCCIX-NEWSRXKRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634953016 401387412 /nfs/dbraw/zinc/38/74/12/401387412.db2.gz OODULOWHXPWXEL-INIZCTEOSA-N 2 1 312.461 3.374 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635005627 401400126 /nfs/dbraw/zinc/40/01/26/401400126.db2.gz JRJMTFOCCNCFOZ-QGPMSJSTSA-N 3 1 312.461 3.349 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccc4c3CCOC4)CC[NH2+]2)cc1 ZINC000635012275 401403567 /nfs/dbraw/zinc/40/35/67/401403567.db2.gz KTVWXDKOFNUDPK-FPOVZHCZSA-N 2 1 322.452 3.342 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000631195032 401422565 /nfs/dbraw/zinc/42/25/65/401422565.db2.gz AFVFCHQHHXXNIF-IEBWSBKVSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000631195032 401422569 /nfs/dbraw/zinc/42/25/69/401422569.db2.gz AFVFCHQHHXXNIF-IEBWSBKVSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000631197159 401423865 /nfs/dbraw/zinc/42/38/65/401423865.db2.gz XUNZIHMQPIDKFO-NXHRZFHOSA-N 2 1 304.503 3.097 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCCCN3C)c2C1 ZINC000635716901 401476736 /nfs/dbraw/zinc/47/67/36/401476736.db2.gz HQPLRHPYXASLKB-SFHVURJKSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCCC[NH+]3C)c2C1 ZINC000635716901 401476744 /nfs/dbraw/zinc/47/67/44/401476744.db2.gz HQPLRHPYXASLKB-SFHVURJKSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)c2C1 ZINC000635716901 401476748 /nfs/dbraw/zinc/47/67/48/401476748.db2.gz HQPLRHPYXASLKB-SFHVURJKSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCCC[N@H+]3C)c2C1 ZINC000635716901 401476752 /nfs/dbraw/zinc/47/67/52/401476752.db2.gz HQPLRHPYXASLKB-SFHVURJKSA-N 2 1 315.461 3.081 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259188 401439593 /nfs/dbraw/zinc/43/95/93/401439593.db2.gz MPHVEJPFMPVOBD-MOPGFXCFSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000631259188 401439607 /nfs/dbraw/zinc/43/96/07/401439607.db2.gz MPHVEJPFMPVOBD-MOPGFXCFSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635651315 401467889 /nfs/dbraw/zinc/46/78/89/401467889.db2.gz ITPYTGKUYDPXED-SFHVURJKSA-N 2 1 315.461 3.012 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000623361346 401500891 /nfs/dbraw/zinc/50/08/91/401500891.db2.gz YJWPLUVUTSTGGE-RYUDHWBXSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000623361346 401500893 /nfs/dbraw/zinc/50/08/93/401500893.db2.gz YJWPLUVUTSTGGE-RYUDHWBXSA-N 2 1 304.381 3.483 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Cl ZINC000623381158 401504527 /nfs/dbraw/zinc/50/45/27/401504527.db2.gz DCLFEXIRBQJSFG-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1Cl ZINC000623402633 401508989 /nfs/dbraw/zinc/50/89/89/401508989.db2.gz RKPNRQYDOROIBL-LBPRGKRZSA-N 2 1 307.825 3.279 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000631662271 401528641 /nfs/dbraw/zinc/52/86/41/401528641.db2.gz DGWOCHXEYFMNGL-QRQLOZEOSA-N 2 1 304.478 3.015 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2n[nH]cc21)Cc1ccccc1 ZINC000623343470 401495404 /nfs/dbraw/zinc/49/54/04/401495404.db2.gz VQKSZYJABUVOOE-UHFFFAOYSA-N 2 1 308.429 3.175 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000623655713 401562571 /nfs/dbraw/zinc/56/25/71/401562571.db2.gz CGEVPLKPGAPDFI-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000623656589 401563175 /nfs/dbraw/zinc/56/31/75/401563175.db2.gz XVRCFMZDGDDOKI-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656784 401563491 /nfs/dbraw/zinc/56/34/91/401563491.db2.gz BQAVEKTUBWGPEA-MRXNPFEDSA-N 2 1 306.498 3.076 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656784 401563494 /nfs/dbraw/zinc/56/34/94/401563494.db2.gz BQAVEKTUBWGPEA-MRXNPFEDSA-N 2 1 306.498 3.076 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1F ZINC000628425870 401596001 /nfs/dbraw/zinc/59/60/01/401596001.db2.gz YHUXKXYVJRVIIR-DOTOQJQBSA-N 2 1 322.468 3.334 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000628204437 401549716 /nfs/dbraw/zinc/54/97/16/401549716.db2.gz XVMHPPSQOKGLFN-JKSUJKDBSA-N 2 1 312.379 3.464 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000624119621 401628158 /nfs/dbraw/zinc/62/81/58/401628158.db2.gz GINDLTSZUNHVSY-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624123420 401629568 /nfs/dbraw/zinc/62/95/68/401629568.db2.gz LRFLNQQUEZFBPS-WMLDXEAASA-N 2 1 318.461 3.013 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624124118 401629805 /nfs/dbraw/zinc/62/98/05/401629805.db2.gz XSFGSFBSMGAPDT-JKSUJKDBSA-N 2 1 320.477 3.395 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1C(F)(F)F ZINC000623963986 401606074 /nfs/dbraw/zinc/60/60/74/401606074.db2.gz WMYWIRISJNUYFE-SNVBAGLBSA-N 2 1 315.314 3.471 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)o2)cc1 ZINC000358503769 286079487 /nfs/dbraw/zinc/07/94/87/286079487.db2.gz FMSKSWUTNCDXEL-UHFFFAOYSA-N 2 1 311.429 3.226 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358520569 286082814 /nfs/dbraw/zinc/08/28/14/286082814.db2.gz WHFGERJEZQBBTC-UHFFFAOYSA-N 2 1 302.462 3.148 20 0 DGADMP Cc1cccc(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000358519000 286082908 /nfs/dbraw/zinc/08/29/08/286082908.db2.gz SEDNVEDSXORLMV-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1cccc(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000358519000 286082910 /nfs/dbraw/zinc/08/29/10/286082910.db2.gz SEDNVEDSXORLMV-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000358564074 286094501 /nfs/dbraw/zinc/09/45/01/286094501.db2.gz WRXYFZYZEHDIDJ-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000358564074 286094502 /nfs/dbraw/zinc/09/45/02/286094502.db2.gz WRXYFZYZEHDIDJ-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000358564071 286094515 /nfs/dbraw/zinc/09/45/15/286094515.db2.gz WRXYFZYZEHDIDJ-IZBJGVDFSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000358564071 286094516 /nfs/dbraw/zinc/09/45/16/286094516.db2.gz WRXYFZYZEHDIDJ-IZBJGVDFSA-N 2 1 316.489 3.038 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000358576588 286097556 /nfs/dbraw/zinc/09/75/56/286097556.db2.gz ULUPFGWKIUYZFJ-GSEOLPGOSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670243 286120203 /nfs/dbraw/zinc/12/02/03/286120203.db2.gz WAUGABOVSNSNAF-LMMKCTJWSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670243 286120204 /nfs/dbraw/zinc/12/02/04/286120204.db2.gz WAUGABOVSNSNAF-LMMKCTJWSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670242 286120357 /nfs/dbraw/zinc/12/03/57/286120357.db2.gz WAUGABOVSNSNAF-AOIWGVFYSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670242 286120360 /nfs/dbraw/zinc/12/03/60/286120360.db2.gz WAUGABOVSNSNAF-AOIWGVFYSA-N 2 1 324.472 3.050 20 0 DGADMP CN(CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000358704791 286128453 /nfs/dbraw/zinc/12/84/53/286128453.db2.gz CECYZSDHEURRPJ-UHFFFAOYSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711392 286130490 /nfs/dbraw/zinc/13/04/90/286130490.db2.gz GUNDWLFMZJWMOV-PXNSSMCTSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000358711392 286130491 /nfs/dbraw/zinc/13/04/91/286130491.db2.gz GUNDWLFMZJWMOV-PXNSSMCTSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C)c2C)CC1)CC(C)C ZINC000358746142 286140072 /nfs/dbraw/zinc/14/00/72/286140072.db2.gz QCROFDDPTQAPKZ-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000358769358 286148802 /nfs/dbraw/zinc/14/88/02/286148802.db2.gz HEJRCOPCOJMNDS-XGXHKWSGSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000358769358 286148806 /nfs/dbraw/zinc/14/88/06/286148806.db2.gz HEJRCOPCOJMNDS-XGXHKWSGSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000358769356 286148955 /nfs/dbraw/zinc/14/89/55/286148955.db2.gz HEJRCOPCOJMNDS-OQIJWPOYSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000358769356 286148957 /nfs/dbraw/zinc/14/89/57/286148957.db2.gz HEJRCOPCOJMNDS-OQIJWPOYSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828555 286163583 /nfs/dbraw/zinc/16/35/83/286163583.db2.gz OTZMPCATBZNNQH-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000358932453 286191054 /nfs/dbraw/zinc/19/10/54/286191054.db2.gz JHDDXNPARZBGLB-QGZVFWFLSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000358932453 286191056 /nfs/dbraw/zinc/19/10/56/286191056.db2.gz JHDDXNPARZBGLB-QGZVFWFLSA-N 2 1 304.482 3.042 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102340 286237335 /nfs/dbraw/zinc/23/73/35/286237335.db2.gz FUQSDJMOWSTAFR-AZUAARDMSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102340 286237336 /nfs/dbraw/zinc/23/73/36/286237336.db2.gz FUQSDJMOWSTAFR-AZUAARDMSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102340 286237337 /nfs/dbraw/zinc/23/73/37/286237337.db2.gz FUQSDJMOWSTAFR-AZUAARDMSA-N 2 1 317.521 3.359 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(OC(F)(F)F)c1 ZINC000359208724 286261206 /nfs/dbraw/zinc/26/12/06/286261206.db2.gz KKEAKMDECBBECY-UHFFFAOYSA-N 2 1 316.367 3.407 20 0 DGADMP Brc1cccc2c1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000359197773 286259414 /nfs/dbraw/zinc/25/94/14/286259414.db2.gz VNKSOVKXFKMCMX-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000359229628 286265553 /nfs/dbraw/zinc/26/55/53/286265553.db2.gz YKRMZGKKOKKDGR-UHFFFAOYSA-N 2 1 316.367 3.407 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359223978 286264339 /nfs/dbraw/zinc/26/43/39/286264339.db2.gz RUOKJFLYYURKDY-GOSISDBHSA-N 2 1 312.461 3.100 20 0 DGADMP CC(C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000359663775 286356506 /nfs/dbraw/zinc/35/65/06/286356506.db2.gz NPPOPLKWPAPSPD-BBWFWOEESA-N 2 1 304.478 3.430 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000420317071 286357093 /nfs/dbraw/zinc/35/70/93/286357093.db2.gz MXVOZFHZUCRDMX-ZFWWWQNUSA-N 2 1 316.470 3.418 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344106437 286385470 /nfs/dbraw/zinc/38/54/70/286385470.db2.gz JYFOFAOSQICDOU-OKZBNKHCSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)n1 ZINC000359941249 286393194 /nfs/dbraw/zinc/39/31/94/286393194.db2.gz JYKYBHRCJPHSHB-HUUCEWRRSA-N 2 1 304.482 3.256 20 0 DGADMP CCCn1nc(C)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1C ZINC000360153817 286432770 /nfs/dbraw/zinc/43/27/70/286432770.db2.gz LKSRBRNVRRZQLU-UHFFFAOYSA-N 2 1 306.498 3.122 20 0 DGADMP COCCCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836144 292320666 /nfs/dbraw/zinc/32/06/66/292320666.db2.gz HYAYYMFUTDPJFN-RTBURBONSA-N 2 1 304.478 3.085 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000360836350 286541264 /nfs/dbraw/zinc/54/12/64/286541264.db2.gz MIXASQUYTDGXCP-LJQANCHMSA-N 2 1 316.489 3.236 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cn(C)nc1C ZINC000361923086 286745345 /nfs/dbraw/zinc/74/53/45/286745345.db2.gz KEOCRBGTTDOQIZ-UWWQBHOKSA-N 2 1 306.498 3.280 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000362292389 286796449 /nfs/dbraw/zinc/79/64/49/286796449.db2.gz ARBPLPKOOXIDKR-QAPCUYQASA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874474 287041188 /nfs/dbraw/zinc/04/11/88/287041188.db2.gz DASOZPGIIAUGDR-MBOZVWFJSA-N 2 1 315.505 3.291 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)C3CCSCC3)CC2)[nH+]c1 ZINC000187242866 165082406 /nfs/dbraw/zinc/08/24/06/165082406.db2.gz OPGUZMRIMZFSCD-HNNXBMFYSA-N 2 1 319.518 3.480 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccs1 ZINC000189126320 165149673 /nfs/dbraw/zinc/14/96/73/165149673.db2.gz XXBMAVKOKBYQKU-WMLDXEAASA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccs1 ZINC000189126320 165149677 /nfs/dbraw/zinc/14/96/77/165149677.db2.gz XXBMAVKOKBYQKU-WMLDXEAASA-N 2 1 319.449 3.455 20 0 DGADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000190760974 165215186 /nfs/dbraw/zinc/21/51/86/165215186.db2.gz WGFMDDFHJLMJSU-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000192075620 165280349 /nfs/dbraw/zinc/28/03/49/165280349.db2.gz GEKZHWBJYZOTOF-QUCCMNQESA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075620 165280351 /nfs/dbraw/zinc/28/03/51/165280351.db2.gz GEKZHWBJYZOTOF-QUCCMNQESA-N 2 1 324.472 3.097 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075620 165280354 /nfs/dbraw/zinc/28/03/54/165280354.db2.gz GEKZHWBJYZOTOF-QUCCMNQESA-N 2 1 324.472 3.097 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193054330 165316169 /nfs/dbraw/zinc/31/61/69/165316169.db2.gz SRIVYWJYTGSELR-CCNLRDMRSA-N 2 1 302.462 3.089 20 0 DGADMP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000193202511 165320685 /nfs/dbraw/zinc/32/06/85/165320685.db2.gz GKDBDVCSAJVHGX-RAFMOHDBSA-N 2 1 315.505 3.284 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194539344 165348076 /nfs/dbraw/zinc/34/80/76/165348076.db2.gz JQDITOVWKGYXPU-KDURUIRLSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccccc1-c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000194539344 165348078 /nfs/dbraw/zinc/34/80/78/165348078.db2.gz JQDITOVWKGYXPU-KDURUIRLSA-N 2 1 322.452 3.356 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000353433313 165913743 /nfs/dbraw/zinc/91/37/43/165913743.db2.gz FQQLZTMDTRIXEI-OAHLLOKOSA-N 2 1 308.466 3.395 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000365850184 287180537 /nfs/dbraw/zinc/18/05/37/287180537.db2.gz VNKCKLVNWKIUCK-IPMKNSEASA-N 2 1 319.493 3.377 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000365850184 287180538 /nfs/dbraw/zinc/18/05/38/287180538.db2.gz VNKCKLVNWKIUCK-IPMKNSEASA-N 2 1 319.493 3.377 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000171689585 432159672 /nfs/dbraw/zinc/15/96/72/432159672.db2.gz SABLHJDZCDZTJN-UHFFFAOYSA-N 2 1 323.868 3.131 20 0 DGADMP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182257205 432171197 /nfs/dbraw/zinc/17/11/97/432171197.db2.gz PGCNRZHVRNXMKU-FFZOFVMBSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccs1 ZINC000182261304 432174557 /nfs/dbraw/zinc/17/45/57/432174557.db2.gz XJFIALMYXACSDY-YOEHRIQHSA-N 2 1 316.470 3.166 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000190699833 432184130 /nfs/dbraw/zinc/18/41/30/432184130.db2.gz UHFDMZDDRMIKQN-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000246955349 432184342 /nfs/dbraw/zinc/18/43/42/432184342.db2.gz IHTRJAXZPOVUKR-AZUAARDMSA-N 2 1 318.505 3.488 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000246978339 432185973 /nfs/dbraw/zinc/18/59/73/432185973.db2.gz JWIWNDNFEFIMNP-NVXWUHKLSA-N 2 1 317.477 3.416 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000246978339 432185976 /nfs/dbraw/zinc/18/59/76/432185976.db2.gz JWIWNDNFEFIMNP-NVXWUHKLSA-N 2 1 317.477 3.416 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000246978368 432186573 /nfs/dbraw/zinc/18/65/73/432186573.db2.gz JWIWNDNFEFIMNP-WBVHZDCISA-N 2 1 317.477 3.416 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000246978368 432186575 /nfs/dbraw/zinc/18/65/75/432186575.db2.gz JWIWNDNFEFIMNP-WBVHZDCISA-N 2 1 317.477 3.416 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246978741 432187503 /nfs/dbraw/zinc/18/75/03/432187503.db2.gz JPAKOXJERSTTPI-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246978741 432187508 /nfs/dbraw/zinc/18/75/08/432187508.db2.gz JPAKOXJERSTTPI-VXGBXAGGSA-N 2 1 300.368 3.486 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2ccccc2OC)C1 ZINC000182519343 432198795 /nfs/dbraw/zinc/19/87/95/432198795.db2.gz XLEHCXPTEZLFBX-QGZVFWFLSA-N 2 1 304.478 3.292 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000190899966 432198918 /nfs/dbraw/zinc/19/89/18/432198918.db2.gz UIKYKHWKPIPUQZ-UHFFFAOYSA-N 2 1 318.509 3.280 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000247159990 432207267 /nfs/dbraw/zinc/20/72/67/432207267.db2.gz RYUMUGKWZBCPRC-DOPJRALCSA-N 2 1 303.450 3.168 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000247236380 432213297 /nfs/dbraw/zinc/21/32/97/432213297.db2.gz YPLNOMGWUHUTRG-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCN(c2ccccc2)C1 ZINC000247110257 432204416 /nfs/dbraw/zinc/20/44/16/432204416.db2.gz LHWFVZLEKBNQMU-MJGOQNOKSA-N 2 1 301.478 3.072 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCN(c2ccccc2)C1 ZINC000247110257 432204420 /nfs/dbraw/zinc/20/44/20/432204420.db2.gz LHWFVZLEKBNQMU-MJGOQNOKSA-N 2 1 301.478 3.072 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCCN(c2ccccc2)C1 ZINC000247110257 432204422 /nfs/dbraw/zinc/20/44/22/432204422.db2.gz LHWFVZLEKBNQMU-MJGOQNOKSA-N 2 1 301.478 3.072 20 0 DGADMP Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151155432 432224720 /nfs/dbraw/zinc/22/47/20/432224720.db2.gz NWJIXMWLBSAVOD-CYBMUJFWSA-N 2 1 323.444 3.382 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1C ZINC000247293968 432220436 /nfs/dbraw/zinc/22/04/36/432220436.db2.gz ZILAYMDBUMDQOR-SJORKVTESA-N 2 1 315.505 3.447 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728920 196194641 /nfs/dbraw/zinc/19/46/41/196194641.db2.gz AZOUJSPSFSQORN-RYUDHWBXSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728920 196194643 /nfs/dbraw/zinc/19/46/43/196194643.db2.gz AZOUJSPSFSQORN-RYUDHWBXSA-N 2 1 305.809 3.164 20 0 DGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000132221623 196236280 /nfs/dbraw/zinc/23/62/80/196236280.db2.gz SUIPLQOBXYTOLH-UHFFFAOYSA-N 2 1 316.367 3.359 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000132225072 196236893 /nfs/dbraw/zinc/23/68/93/196236893.db2.gz KBTQVELYNDKIBM-ZYHUDNBSSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000245580133 287273270 /nfs/dbraw/zinc/27/32/70/287273270.db2.gz CDWCYHBDXNNSRA-GUDVDZBRSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245580133 287273273 /nfs/dbraw/zinc/27/32/73/287273273.db2.gz CDWCYHBDXNNSRA-GUDVDZBRSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245580133 287273277 /nfs/dbraw/zinc/27/32/77/287273277.db2.gz CDWCYHBDXNNSRA-GUDVDZBRSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415066717 287276842 /nfs/dbraw/zinc/27/68/42/287276842.db2.gz ANWKBBUHNUUIDC-YLJYHZDGSA-N 3 1 315.505 3.293 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000415066717 287276844 /nfs/dbraw/zinc/27/68/44/287276844.db2.gz ANWKBBUHNUUIDC-YLJYHZDGSA-N 2 1 315.505 3.293 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000415066717 287276845 /nfs/dbraw/zinc/27/68/45/287276845.db2.gz ANWKBBUHNUUIDC-YLJYHZDGSA-N 2 1 315.505 3.293 20 0 DGADMP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000297330053 227017716 /nfs/dbraw/zinc/01/77/16/227017716.db2.gz CTPVFRDRRLJTRP-MRXNPFEDSA-N 2 1 319.880 3.135 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290900188 222005314 /nfs/dbraw/zinc/00/53/14/222005314.db2.gz NWURIOQLTYJHFI-SNVBAGLBSA-N 2 1 313.232 3.319 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000291214863 222230074 /nfs/dbraw/zinc/23/00/74/222230074.db2.gz RONCBRBZUSGGON-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000291214863 222230077 /nfs/dbraw/zinc/23/00/77/222230077.db2.gz RONCBRBZUSGGON-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP CO[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000291312149 222304131 /nfs/dbraw/zinc/30/41/31/222304131.db2.gz TYGMPEUDWXBXHC-FQEVSTJZSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000346567316 264056073 /nfs/dbraw/zinc/05/60/73/264056073.db2.gz SVSSKQNJHOVRAC-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000346567316 264056074 /nfs/dbraw/zinc/05/60/74/264056074.db2.gz SVSSKQNJHOVRAC-LCLWPZTBSA-N 2 1 316.489 3.038 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCC(C)C ZINC000346648948 264072801 /nfs/dbraw/zinc/07/28/01/264072801.db2.gz GEMBLYTUKMKCLY-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660951 264074823 /nfs/dbraw/zinc/07/48/23/264074823.db2.gz AOPMETSDEHVPDM-ONGXEEELSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660951 264074824 /nfs/dbraw/zinc/07/48/24/264074824.db2.gz AOPMETSDEHVPDM-ONGXEEELSA-N 2 1 304.768 3.111 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346663715 264075735 /nfs/dbraw/zinc/07/57/35/264075735.db2.gz CECNXXPYGCQODS-HOTGVXAUSA-N 2 1 312.461 3.165 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346668331 264076968 /nfs/dbraw/zinc/07/69/68/264076968.db2.gz IKBZYRKYCSRKJN-RDJZCZTQSA-N 2 1 320.440 3.195 20 0 DGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCC(C)C ZINC000346682589 264079302 /nfs/dbraw/zinc/07/93/02/264079302.db2.gz ODMBEJUSYOZFIK-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP C[N@H+](Cc1ccccc1OCc1ccccn1)CC(C)(C)C[NH3+] ZINC000346691755 264080691 /nfs/dbraw/zinc/08/06/91/264080691.db2.gz WBWNGCPTZOYEFP-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP C[N@@H+](Cc1ccccc1OCc1ccccn1)CC(C)(C)C[NH3+] ZINC000346691755 264080694 /nfs/dbraw/zinc/08/06/94/264080694.db2.gz WBWNGCPTZOYEFP-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1 ZINC000346797559 264099690 /nfs/dbraw/zinc/09/96/90/264099690.db2.gz OETJNSUSRYSTHU-QMTMVMCOSA-N 2 1 312.461 3.314 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1OCC ZINC000346819345 264102677 /nfs/dbraw/zinc/10/26/77/264102677.db2.gz BETISBORIMAALQ-UAGQMJEPSA-N 2 1 318.461 3.043 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(C)c1OC(F)F ZINC000346828981 264104592 /nfs/dbraw/zinc/10/45/92/264104592.db2.gz OBEGLSQVHYAEFU-XHSDSOJGSA-N 2 1 324.415 3.464 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@@H]12 ZINC000346828991 264104627 /nfs/dbraw/zinc/10/46/27/264104627.db2.gz OCJIPXVKVJPQEF-LERXQTSPSA-N 2 1 305.472 3.041 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC000346832527 264105913 /nfs/dbraw/zinc/10/59/13/264105913.db2.gz QWSPGDMYRVCNEN-IPMKNSEASA-N 2 1 307.441 3.308 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346834718 264106813 /nfs/dbraw/zinc/10/68/13/264106813.db2.gz SWPXYACCSIVOKR-WDSOQIARSA-N 2 1 302.462 3.281 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000346842065 264107252 /nfs/dbraw/zinc/10/72/52/264107252.db2.gz WJIDRJKBCXPKTC-DOTOQJQBSA-N 2 1 302.462 3.295 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC000346844836 264108351 /nfs/dbraw/zinc/10/83/51/264108351.db2.gz LQDGWIMCESETCG-SLFFLAALSA-N 2 1 307.441 3.308 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)C)c1 ZINC000346859511 264109733 /nfs/dbraw/zinc/10/97/33/264109733.db2.gz SHWMPUPZBYSFFR-HNNXBMFYSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CCC2)cc1 ZINC000346889148 264116172 /nfs/dbraw/zinc/11/61/72/264116172.db2.gz UEALLXMUSMAEFT-YJBOKZPZSA-N 2 1 302.462 3.047 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000346997148 264136223 /nfs/dbraw/zinc/13/62/23/264136223.db2.gz CKDMLELGUKUAGG-MRXNPFEDSA-N 2 1 312.461 3.037 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000346997148 264136224 /nfs/dbraw/zinc/13/62/24/264136224.db2.gz CKDMLELGUKUAGG-MRXNPFEDSA-N 2 1 312.461 3.037 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347003901 264138244 /nfs/dbraw/zinc/13/82/44/264138244.db2.gz AAEDBBJHTWQUDW-SJCJKPOMSA-N 2 1 318.852 3.003 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347003901 264138246 /nfs/dbraw/zinc/13/82/46/264138246.db2.gz AAEDBBJHTWQUDW-SJCJKPOMSA-N 2 1 318.852 3.003 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1[NH3+] ZINC000347004357 264138349 /nfs/dbraw/zinc/13/83/49/264138349.db2.gz AZNRNCDQHXUFEN-YJBOKZPZSA-N 2 1 320.440 3.195 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347075646 264152608 /nfs/dbraw/zinc/15/26/08/264152608.db2.gz UMAGOEZRGOUQDS-TZMCWYRMSA-N 2 1 316.367 3.187 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347075641 264152626 /nfs/dbraw/zinc/15/26/26/264152626.db2.gz UMAGOEZRGOUQDS-OCCSQVGLSA-N 2 1 316.367 3.187 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347093887 264155916 /nfs/dbraw/zinc/15/59/16/264155916.db2.gz HGCCGPJBUUUDLU-HIFRSBDPSA-N 2 1 301.459 3.369 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347127265 264161354 /nfs/dbraw/zinc/16/13/54/264161354.db2.gz UYOJKTFZNLSGDT-INIZCTEOSA-N 2 1 318.804 3.397 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347202622 264175066 /nfs/dbraw/zinc/17/50/66/264175066.db2.gz KUCVAKQRIVBFGX-KRWDZBQOSA-N 2 1 320.477 3.291 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347202622 264175069 /nfs/dbraw/zinc/17/50/69/264175069.db2.gz KUCVAKQRIVBFGX-KRWDZBQOSA-N 2 1 320.477 3.291 20 0 DGADMP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000347944526 264311210 /nfs/dbraw/zinc/31/12/10/264311210.db2.gz XNEDLSQWHIMKCF-DZGCQCFKSA-N 2 1 307.507 3.237 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348109835 264341872 /nfs/dbraw/zinc/34/18/72/264341872.db2.gz SWEQMMYENFUNBO-RBSFLKMASA-N 2 1 322.415 3.198 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)CC1(O)CCCC1 ZINC000348267286 264378847 /nfs/dbraw/zinc/37/88/47/264378847.db2.gz PXUHOBDOOZXGMG-IBGZPJMESA-N 2 1 316.489 3.278 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000348301794 264384581 /nfs/dbraw/zinc/38/45/81/264384581.db2.gz BBCRVMBLIVZYAR-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000348301794 264384583 /nfs/dbraw/zinc/38/45/83/264384583.db2.gz BBCRVMBLIVZYAR-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000348301794 264384585 /nfs/dbraw/zinc/38/45/85/264384585.db2.gz BBCRVMBLIVZYAR-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000348301794 264384587 /nfs/dbraw/zinc/38/45/87/264384587.db2.gz BBCRVMBLIVZYAR-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1 ZINC000348301115 264384905 /nfs/dbraw/zinc/38/49/05/264384905.db2.gz IKUSISUPSGSSPW-YOEHRIQHSA-N 2 1 301.434 3.096 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H](F)C3)CC2)cc1 ZINC000348338930 264392754 /nfs/dbraw/zinc/39/27/54/264392754.db2.gz VYUSZCVKQXXIET-SJLPKXTDSA-N 2 1 308.416 3.313 20 0 DGADMP CSC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000348378577 264399605 /nfs/dbraw/zinc/39/96/05/264399605.db2.gz JRXQDQIWWJMBEV-UHFFFAOYSA-N 2 1 305.491 3.294 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000352351547 265011031 /nfs/dbraw/zinc/01/10/31/265011031.db2.gz YLPYJFYNLXUAGP-SFHVURJKSA-N 2 1 315.461 3.321 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000352503222 265071199 /nfs/dbraw/zinc/07/11/99/265071199.db2.gz CWSKDVORRXASGH-INIZCTEOSA-N 2 1 324.472 3.064 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000352503222 265071203 /nfs/dbraw/zinc/07/12/03/265071203.db2.gz CWSKDVORRXASGH-INIZCTEOSA-N 2 1 324.472 3.064 20 0 DGADMP COc1c(C)cnc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1C ZINC000352512178 265073863 /nfs/dbraw/zinc/07/38/63/265073863.db2.gz WGDIFIJWNNOKPT-UHFFFAOYSA-N 2 1 305.466 3.048 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352637072 265111752 /nfs/dbraw/zinc/11/17/52/265111752.db2.gz MXMPAAGNVLXBTH-XFXDYTQGSA-N 2 1 302.462 3.309 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352637069 265111974 /nfs/dbraw/zinc/11/19/74/265111974.db2.gz MXMPAAGNVLXBTH-CFIUCSMOSA-N 2 1 302.462 3.309 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CCCO1 ZINC000352702604 265134046 /nfs/dbraw/zinc/13/40/46/265134046.db2.gz AAGCJCDTDCDBAQ-PRSOIBJXSA-N 2 1 324.415 3.069 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352713668 265137903 /nfs/dbraw/zinc/13/79/03/265137903.db2.gz TXQBQAYCIPQMRI-JTQLQIEISA-N 2 1 309.401 3.415 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352764121 265157348 /nfs/dbraw/zinc/15/73/48/265157348.db2.gz BICGCRMQDGUMDD-AWEZNQCLSA-N 2 1 303.475 3.234 20 0 DGADMP Cc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1 ZINC000352767364 265157920 /nfs/dbraw/zinc/15/79/20/265157920.db2.gz CGTQJZDHKFZARO-UHFFFAOYSA-N 2 1 303.475 3.154 20 0 DGADMP CC(C)[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccnc1 ZINC000352766103 265157983 /nfs/dbraw/zinc/15/79/83/265157983.db2.gz KXNOKAFTZJMPHO-MRXNPFEDSA-N 2 1 318.490 3.129 20 0 DGADMP CCSCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352816664 265179892 /nfs/dbraw/zinc/17/98/92/265179892.db2.gz PNABGBMRHKPTRD-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP CCSCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352816664 265179895 /nfs/dbraw/zinc/17/98/95/265179895.db2.gz PNABGBMRHKPTRD-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352815382 265180065 /nfs/dbraw/zinc/18/00/65/265180065.db2.gz LSCWYMXXDKGCKG-ZDUSSCGKSA-N 2 1 319.474 3.021 20 0 DGADMP c1ccc(N2CCCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000352969091 265249785 /nfs/dbraw/zinc/24/97/85/265249785.db2.gz QSXRWSJPHBUORE-RTBURBONSA-N 2 1 313.489 3.393 20 0 DGADMP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)CC[N@H+]1C ZINC000182805332 432230152 /nfs/dbraw/zinc/23/01/52/432230152.db2.gz QUUWPIDXDLFDLA-CRAIPNDOSA-N 2 1 319.518 3.130 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355219396 266003852 /nfs/dbraw/zinc/00/38/52/266003852.db2.gz IUXZJEDWTNLWAW-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355219396 266003854 /nfs/dbraw/zinc/00/38/54/266003854.db2.gz IUXZJEDWTNLWAW-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000355219396 266003858 /nfs/dbraw/zinc/00/38/58/266003858.db2.gz IUXZJEDWTNLWAW-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000355219396 266003860 /nfs/dbraw/zinc/00/38/60/266003860.db2.gz IUXZJEDWTNLWAW-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP COc1ccsc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355231687 266008830 /nfs/dbraw/zinc/00/88/30/266008830.db2.gz ZNABXDHKSYHZFY-MRXNPFEDSA-N 2 1 316.470 3.368 20 0 DGADMP CN(C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678620 266154137 /nfs/dbraw/zinc/15/41/37/266154137.db2.gz FNKOWWLMNMIAQK-PBHICJAKSA-N 2 1 316.836 3.259 20 0 DGADMP CN(C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678620 266154139 /nfs/dbraw/zinc/15/41/39/266154139.db2.gz FNKOWWLMNMIAQK-PBHICJAKSA-N 2 1 316.836 3.259 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000151359257 432239418 /nfs/dbraw/zinc/23/94/18/432239418.db2.gz YAYHOGOUALESKT-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP CCCOc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000359908185 271016353 /nfs/dbraw/zinc/01/63/53/271016353.db2.gz XNXLJLFBPSZDNA-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601713 271048125 /nfs/dbraw/zinc/04/81/25/271048125.db2.gz PAQOFHVWLRSBQP-DOTOQJQBSA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601713 271048128 /nfs/dbraw/zinc/04/81/28/271048128.db2.gz PAQOFHVWLRSBQP-DOTOQJQBSA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601713 271048131 /nfs/dbraw/zinc/04/81/31/271048131.db2.gz PAQOFHVWLRSBQP-DOTOQJQBSA-N 2 1 304.482 3.353 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000367659021 271060075 /nfs/dbraw/zinc/06/00/75/271060075.db2.gz RORSXKMHQGQJIS-UHFFFAOYSA-N 2 1 315.446 3.165 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000367659021 271060079 /nfs/dbraw/zinc/06/00/79/271060079.db2.gz RORSXKMHQGQJIS-UHFFFAOYSA-N 2 1 315.446 3.165 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000367697184 271066001 /nfs/dbraw/zinc/06/60/01/271066001.db2.gz BYDNUHZVHSZKTG-GDBMZVCRSA-N 2 1 310.388 3.204 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000367711264 271069364 /nfs/dbraw/zinc/06/93/64/271069364.db2.gz BBWFQRNNOUDSNV-KDOFPFPSSA-N 2 1 322.493 3.174 20 0 DGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058571 271126361 /nfs/dbraw/zinc/12/63/61/271126361.db2.gz XEYWICOAOBDWPR-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP COC[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000368530619 271165711 /nfs/dbraw/zinc/16/57/11/271165711.db2.gz OGCRTPRCVRPWNP-MOPGFXCFSA-N 2 1 304.478 3.159 20 0 DGADMP CC[C@@H](C)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368547688 271168277 /nfs/dbraw/zinc/16/82/77/271168277.db2.gz DSTWHAXBGMGDPW-QGZVFWFLSA-N 2 1 309.542 3.161 20 0 DGADMP CC[C@@H](C)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368547688 271168280 /nfs/dbraw/zinc/16/82/80/271168280.db2.gz DSTWHAXBGMGDPW-QGZVFWFLSA-N 3 1 309.542 3.161 20 0 DGADMP CC[C@@H](C)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368547688 271168282 /nfs/dbraw/zinc/16/82/82/271168282.db2.gz DSTWHAXBGMGDPW-QGZVFWFLSA-N 3 1 309.542 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000370652129 271378858 /nfs/dbraw/zinc/37/88/58/271378858.db2.gz MRKMIQRAWHTUEX-BFYDXBDKSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711274 271384491 /nfs/dbraw/zinc/38/44/91/271384491.db2.gz PDIYENFAWOQRFX-IEBWSBKVSA-N 2 1 321.553 3.161 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)c1 ZINC000370736880 271386560 /nfs/dbraw/zinc/38/65/60/271386560.db2.gz AZZVWMLIVNCNFJ-VQTJNVASSA-N 2 1 307.441 3.465 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000247938490 432255313 /nfs/dbraw/zinc/25/53/13/432255313.db2.gz CSZLTQOECSDVLO-UWVAXJGDSA-N 2 1 316.489 3.452 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247960490 432255897 /nfs/dbraw/zinc/25/58/97/432255897.db2.gz GDJPQDIYRPAOKZ-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247960490 432255900 /nfs/dbraw/zinc/25/59/00/432255900.db2.gz GDJPQDIYRPAOKZ-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247960490 432255904 /nfs/dbraw/zinc/25/59/04/432255904.db2.gz GDJPQDIYRPAOKZ-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1SC ZINC000270536858 432257158 /nfs/dbraw/zinc/25/71/58/432257158.db2.gz WOBMVNPJXBWKIB-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1SC ZINC000270536858 432257164 /nfs/dbraw/zinc/25/71/64/432257164.db2.gz WOBMVNPJXBWKIB-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1SC ZINC000270536858 432257167 /nfs/dbraw/zinc/25/71/67/432257167.db2.gz WOBMVNPJXBWKIB-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1SC ZINC000270536858 432257171 /nfs/dbraw/zinc/25/71/71/432257171.db2.gz WOBMVNPJXBWKIB-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP CO[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099334 274060683 /nfs/dbraw/zinc/06/06/83/274060683.db2.gz HQFUOFCFTVCPAF-IRXDYDNUSA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099334 274060685 /nfs/dbraw/zinc/06/06/85/274060685.db2.gz HQFUOFCFTVCPAF-IRXDYDNUSA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099334 274060687 /nfs/dbraw/zinc/06/06/87/274060687.db2.gz HQFUOFCFTVCPAF-IRXDYDNUSA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099334 274060689 /nfs/dbraw/zinc/06/06/89/274060689.db2.gz HQFUOFCFTVCPAF-IRXDYDNUSA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450434580 274078067 /nfs/dbraw/zinc/07/80/67/274078067.db2.gz DDIZDDZNSONLPZ-RBUKOAKNSA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@H](Cc1ccccc1)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000450434580 274078068 /nfs/dbraw/zinc/07/80/68/274078068.db2.gz DDIZDDZNSONLPZ-RBUKOAKNSA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@H](Cc1ccccc1)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000450434580 274078069 /nfs/dbraw/zinc/07/80/69/274078069.db2.gz DDIZDDZNSONLPZ-RBUKOAKNSA-N 2 1 304.478 3.050 20 0 DGADMP CS[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1[NH+](C)C ZINC000340736244 274182798 /nfs/dbraw/zinc/18/27/98/274182798.db2.gz GCBGKEGGDXKWFM-HZPDHXFCSA-N 2 1 321.877 3.370 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855531 274211788 /nfs/dbraw/zinc/21/17/88/274211788.db2.gz WVPLIHJWQBBPDI-LIRRHRJNSA-N 2 1 314.477 3.381 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000246295043 274285694 /nfs/dbraw/zinc/28/56/94/274285694.db2.gz DPPXLDAMGGMVQO-QWFCFKBJSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000246295043 274285695 /nfs/dbraw/zinc/28/56/95/274285695.db2.gz DPPXLDAMGGMVQO-QWFCFKBJSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000246295043 274285696 /nfs/dbraw/zinc/28/56/96/274285696.db2.gz DPPXLDAMGGMVQO-QWFCFKBJSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000246295043 274285697 /nfs/dbraw/zinc/28/56/97/274285697.db2.gz DPPXLDAMGGMVQO-QWFCFKBJSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488695 274355052 /nfs/dbraw/zinc/35/50/52/274355052.db2.gz VNKHPFCDFWUZIF-YZGWKJHDSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488695 274355055 /nfs/dbraw/zinc/35/50/55/274355055.db2.gz VNKHPFCDFWUZIF-YZGWKJHDSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC[C@@H]1O ZINC000422818918 274650970 /nfs/dbraw/zinc/65/09/70/274650970.db2.gz HMDRJXTZUQRLKG-AKHDSKFASA-N 2 1 302.462 3.011 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC[C@H]1O ZINC000422818920 274651194 /nfs/dbraw/zinc/65/11/94/274651194.db2.gz HMDRJXTZUQRLKG-NCXUSEDFSA-N 2 1 302.462 3.011 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247975036 432259363 /nfs/dbraw/zinc/25/93/63/432259363.db2.gz KRRNEGMWDMEEDU-ULQDDVLXSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000247975036 432259364 /nfs/dbraw/zinc/25/93/64/432259364.db2.gz KRRNEGMWDMEEDU-ULQDDVLXSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000247975036 432259371 /nfs/dbraw/zinc/25/93/71/432259371.db2.gz KRRNEGMWDMEEDU-ULQDDVLXSA-N 2 1 321.534 3.205 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453201834 275045565 /nfs/dbraw/zinc/04/55/65/275045565.db2.gz AXSYAWDELJUGHL-ZCNNSNEGSA-N 2 1 316.489 3.182 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cc(C)ccc2C)C1 ZINC000483092527 276072582 /nfs/dbraw/zinc/07/25/82/276072582.db2.gz VXGZQXWVLZKNMY-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cc(C)ccc2C)C1 ZINC000483092527 276072583 /nfs/dbraw/zinc/07/25/83/276072583.db2.gz VXGZQXWVLZKNMY-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cc(C)ccc2C)C1 ZINC000483092527 276072585 /nfs/dbraw/zinc/07/25/85/276072585.db2.gz VXGZQXWVLZKNMY-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000191806007 276096145 /nfs/dbraw/zinc/09/61/45/276096145.db2.gz VXQQBYOBPWZSBY-CVEARBPZSA-N 2 1 310.507 3.368 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000191806007 276096147 /nfs/dbraw/zinc/09/61/47/276096147.db2.gz VXQQBYOBPWZSBY-CVEARBPZSA-N 2 1 310.507 3.368 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000459420830 276105567 /nfs/dbraw/zinc/10/55/67/276105567.db2.gz GMYMTBATJVESIF-LPHOPBHVSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163759502 276110866 /nfs/dbraw/zinc/11/08/66/276110866.db2.gz TYINJIRHXFXMKZ-VQIMIIECSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000163759502 276110868 /nfs/dbraw/zinc/11/08/68/276110868.db2.gz TYINJIRHXFXMKZ-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163759502 276110869 /nfs/dbraw/zinc/11/08/69/276110869.db2.gz TYINJIRHXFXMKZ-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163759502 276110871 /nfs/dbraw/zinc/11/08/71/276110871.db2.gz TYINJIRHXFXMKZ-VQIMIIECSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269972096 276111058 /nfs/dbraw/zinc/11/10/58/276111058.db2.gz OQLZCIRWCRFZSL-PMACEKPBSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269972096 276111059 /nfs/dbraw/zinc/11/10/59/276111059.db2.gz OQLZCIRWCRFZSL-PMACEKPBSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269972096 276111060 /nfs/dbraw/zinc/11/10/60/276111060.db2.gz OQLZCIRWCRFZSL-PMACEKPBSA-N 2 1 315.505 3.245 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@H]1c1cccs1 ZINC000248753947 277073820 /nfs/dbraw/zinc/07/38/20/277073820.db2.gz CJIGBALNAYORHC-INMHGKMJSA-N 2 1 306.475 3.413 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@H]1c1cccs1 ZINC000248753947 277073822 /nfs/dbraw/zinc/07/38/22/277073822.db2.gz CJIGBALNAYORHC-INMHGKMJSA-N 2 1 306.475 3.413 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@H]1c1cccs1 ZINC000417947841 277074098 /nfs/dbraw/zinc/07/40/98/277074098.db2.gz UIHHFYCLEBGRCX-FMKPAKJESA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@H]1c1cccs1 ZINC000417947841 277074099 /nfs/dbraw/zinc/07/40/99/277074099.db2.gz UIHHFYCLEBGRCX-FMKPAKJESA-N 2 1 308.491 3.288 20 0 DGADMP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423493897 277252938 /nfs/dbraw/zinc/25/29/38/277252938.db2.gz RGVXFFHUTRIHNO-MAUKXSAKSA-N 2 1 316.445 3.488 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000435876241 277267751 /nfs/dbraw/zinc/26/77/51/277267751.db2.gz HOVFCBORJZNBOR-MRXNPFEDSA-N 2 1 314.477 3.406 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000071142039 277286462 /nfs/dbraw/zinc/28/64/62/277286462.db2.gz SVHOJSBOZQFQRL-NWDGAFQWSA-N 2 1 302.340 3.188 20 0 DGADMP CCCC[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000542767004 430223808 /nfs/dbraw/zinc/22/38/08/430223808.db2.gz UZZOYDFNZCNTAV-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000414917881 277681149 /nfs/dbraw/zinc/68/11/49/277681149.db2.gz SHSWGBVDCSOSTM-NEWSRXKRSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449095420 278002243 /nfs/dbraw/zinc/00/22/43/278002243.db2.gz YIXOWGBXGUTMHF-IXDOHACOSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193772 278370774 /nfs/dbraw/zinc/37/07/74/278370774.db2.gz IBSARLPISGJQGP-IIDMSEBBSA-N 2 1 316.493 3.040 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000163561090 279137373 /nfs/dbraw/zinc/13/73/73/279137373.db2.gz JMODVKQMQLVYPS-APWZRJJASA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000163561090 279137375 /nfs/dbraw/zinc/13/73/75/279137375.db2.gz JMODVKQMQLVYPS-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000163561090 279137377 /nfs/dbraw/zinc/13/73/77/279137377.db2.gz JMODVKQMQLVYPS-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000163561090 279137379 /nfs/dbraw/zinc/13/73/79/279137379.db2.gz JMODVKQMQLVYPS-APWZRJJASA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000336870855 279165188 /nfs/dbraw/zinc/16/51/88/279165188.db2.gz CDPBPBJPGAUTGL-YVWKXTFCSA-N 2 1 315.505 3.284 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000336870854 279165794 /nfs/dbraw/zinc/16/57/94/279165794.db2.gz CDPBPBJPGAUTGL-XKGZKEIXSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000442889443 279193132 /nfs/dbraw/zinc/19/31/32/279193132.db2.gz KGEUKTKNNOMQAX-IBGZPJMESA-N 2 1 317.521 3.389 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414660580 279320767 /nfs/dbraw/zinc/32/07/67/279320767.db2.gz OQYRNXGMQWWNFI-XUJVJEKNSA-N 2 1 300.368 3.478 20 0 DGADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191398 279353218 /nfs/dbraw/zinc/35/32/18/279353218.db2.gz OGIFORMUVVMSHR-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191398 279353222 /nfs/dbraw/zinc/35/32/22/279353222.db2.gz OGIFORMUVVMSHR-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422767599 279379885 /nfs/dbraw/zinc/37/98/85/279379885.db2.gz SZFFSYYJZCNTHR-TYNCELHUSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000122719200 279386719 /nfs/dbraw/zinc/38/67/19/279386719.db2.gz SQUYBYFTQZGPOK-INMHGKMJSA-N 2 1 318.490 3.006 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000122719200 279386722 /nfs/dbraw/zinc/38/67/22/279386722.db2.gz SQUYBYFTQZGPOK-INMHGKMJSA-N 2 1 318.490 3.006 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccco1 ZINC000069708522 431211820 /nfs/dbraw/zinc/21/18/20/431211820.db2.gz JBYRAQSCJGRIJL-UHFFFAOYSA-N 2 1 302.418 3.290 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21)C1C[NH2+]C1 ZINC000422954353 279517139 /nfs/dbraw/zinc/51/71/39/279517139.db2.gz IGWDELVALFKBEL-IFXJQAMLSA-N 2 1 308.425 3.375 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000070074240 431240201 /nfs/dbraw/zinc/24/02/01/431240201.db2.gz ZQBONQMGLBOZKW-LBPRGKRZSA-N 2 1 302.340 3.146 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC000115628835 431468005 /nfs/dbraw/zinc/46/80/05/431468005.db2.gz MNNYVPFPVNLKGJ-MJGOQNOKSA-N 2 1 304.478 3.222 20 0 DGADMP Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396195 431508121 /nfs/dbraw/zinc/50/81/21/431508121.db2.gz NATGIAJSZLNQRC-WBVHZDCISA-N 2 1 319.493 3.278 20 0 DGADMP CCOc1cc(C[NH2+]CCC[NH+](CC)CC)cc(Cl)c1O ZINC000076275306 431538119 /nfs/dbraw/zinc/53/81/19/431538119.db2.gz MVTKSVUXRXJPKL-UHFFFAOYSA-N 2 1 314.857 3.266 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000077175672 431570850 /nfs/dbraw/zinc/57/08/50/431570850.db2.gz VZMAZWVTDUDNDW-RTBURBONSA-N 2 1 307.526 3.059 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081629996 431793487 /nfs/dbraw/zinc/79/34/87/431793487.db2.gz HEQHNMXVDJYJOH-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081629996 431793494 /nfs/dbraw/zinc/79/34/94/431793494.db2.gz HEQHNMXVDJYJOH-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081629996 431793500 /nfs/dbraw/zinc/79/35/00/431793500.db2.gz HEQHNMXVDJYJOH-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081629996 431793506 /nfs/dbraw/zinc/79/35/06/431793506.db2.gz HEQHNMXVDJYJOH-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000081630884 431794889 /nfs/dbraw/zinc/79/48/89/431794889.db2.gz ZZNZENSCLSJACQ-KRWDZBQOSA-N 2 1 320.452 3.258 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000081630884 431794892 /nfs/dbraw/zinc/79/48/92/431794892.db2.gz ZZNZENSCLSJACQ-KRWDZBQOSA-N 2 1 320.452 3.258 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000081630884 431794896 /nfs/dbraw/zinc/79/48/96/431794896.db2.gz ZZNZENSCLSJACQ-KRWDZBQOSA-N 2 1 320.452 3.258 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121795926 431806447 /nfs/dbraw/zinc/80/64/47/431806447.db2.gz BAIOKNCNSIJAJI-SFHVURJKSA-N 2 1 300.446 3.073 20 0 DGADMP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000121347139 431772130 /nfs/dbraw/zinc/77/21/30/431772130.db2.gz XXZLWPPOMITCHL-BEFAXECRSA-N 2 1 314.429 3.179 20 0 DGADMP COc1ccc(Oc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC000032070056 431772832 /nfs/dbraw/zinc/77/28/32/431772832.db2.gz FWJFTUPCQUIBIP-UHFFFAOYSA-N 2 1 312.413 3.411 20 0 DGADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1cncc(F)c1 ZINC000122799264 431844106 /nfs/dbraw/zinc/84/41/06/431844106.db2.gz LJEZBNNAUYQWKJ-HNNXBMFYSA-N 2 1 313.420 3.320 20 0 DGADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1cncs1 ZINC000122773520 431844612 /nfs/dbraw/zinc/84/46/12/431844612.db2.gz PDOFNUGAKCSRLM-AWEZNQCLSA-N 2 1 301.459 3.242 20 0 DGADMP Brc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000037408174 431846592 /nfs/dbraw/zinc/84/65/92/431846592.db2.gz OPGABHMRTWYWMO-JTQLQIEISA-N 2 1 315.280 3.085 20 0 DGADMP Brc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000037408174 431846594 /nfs/dbraw/zinc/84/65/94/431846594.db2.gz OPGABHMRTWYWMO-JTQLQIEISA-N 2 1 315.280 3.085 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000037976769 431852573 /nfs/dbraw/zinc/85/25/73/431852573.db2.gz CCAFPMYKALCDQF-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123028545 431852689 /nfs/dbraw/zinc/85/26/89/431852689.db2.gz IWAQKUOQZLENTO-HLIPFELVSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123028545 431852691 /nfs/dbraw/zinc/85/26/91/431852691.db2.gz IWAQKUOQZLENTO-HLIPFELVSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123028545 431852692 /nfs/dbraw/zinc/85/26/92/431852692.db2.gz IWAQKUOQZLENTO-HLIPFELVSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123028545 431852695 /nfs/dbraw/zinc/85/26/95/431852695.db2.gz IWAQKUOQZLENTO-HLIPFELVSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018394 431853158 /nfs/dbraw/zinc/85/31/58/431853158.db2.gz ZMOWFUVLYQEDRW-CKYFFXLPSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018394 431853160 /nfs/dbraw/zinc/85/31/60/431853160.db2.gz ZMOWFUVLYQEDRW-CKYFFXLPSA-N 2 1 317.296 3.329 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089145420 431860277 /nfs/dbraw/zinc/86/02/77/431860277.db2.gz LPVOYILAYGYKCQ-QMTHXVAHSA-N 2 1 315.230 3.195 20 0 DGADMP CC(C)c1ccc(CC[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000122594851 431838555 /nfs/dbraw/zinc/83/85/55/431838555.db2.gz DQIYAFKBVRVHGV-FQEVSTJZSA-N 2 1 318.505 3.179 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125002992 431911386 /nfs/dbraw/zinc/91/13/86/431911386.db2.gz KWUMMWNDJHKFOF-SXLOBPIMSA-N 2 1 315.505 3.062 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000125145000 431915367 /nfs/dbraw/zinc/91/53/67/431915367.db2.gz GXJUGEKOBVNCSM-UHFFFAOYSA-N 2 1 323.444 3.338 20 0 DGADMP COC(=O)c1oc([C@@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000125273721 431919135 /nfs/dbraw/zinc/91/91/35/431919135.db2.gz SMAOTVPDWPRKCC-CABCVRRESA-N 2 1 322.449 3.242 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cn1 ZINC000123952925 431879336 /nfs/dbraw/zinc/87/93/36/431879336.db2.gz OXZUXIHMNKNVHR-OAHLLOKOSA-N 2 1 300.450 3.206 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000124203428 431886165 /nfs/dbraw/zinc/88/61/65/431886165.db2.gz JKDQXJRWICXUDE-TXDAXLQXSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000124286340 431889085 /nfs/dbraw/zinc/88/90/85/431889085.db2.gz UDIUPAWVBZZAJY-UHFFFAOYSA-N 2 1 313.323 3.304 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000124347658 431891067 /nfs/dbraw/zinc/89/10/67/431891067.db2.gz ZQAPGRGGUQPHAN-CHWSQXEVSA-N 2 1 310.388 3.423 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000090720934 431895097 /nfs/dbraw/zinc/89/50/97/431895097.db2.gz BFBWSEKUKOTNPW-ZYHUDNBSSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000090720934 431895099 /nfs/dbraw/zinc/89/50/99/431895099.db2.gz BFBWSEKUKOTNPW-ZYHUDNBSSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000090720936 431895210 /nfs/dbraw/zinc/89/52/10/431895210.db2.gz BFBWSEKUKOTNPW-CMPLNLGQSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000090720936 431895211 /nfs/dbraw/zinc/89/52/11/431895211.db2.gz BFBWSEKUKOTNPW-CMPLNLGQSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000090920576 431897469 /nfs/dbraw/zinc/89/74/69/431897469.db2.gz GZTLEZIUPPSNOR-KYHPRHEASA-N 2 1 319.468 3.113 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)[C@H](C)C1 ZINC000090919129 431898211 /nfs/dbraw/zinc/89/82/11/431898211.db2.gz RGECXNJOKIHKIU-CXAGYDPISA-N 2 1 308.416 3.316 20 0 DGADMP COc1ccc([C@H]2CCCN2CC[C@H]2CCC[N@H+]2C)c(OC)c1 ZINC000124749148 431903721 /nfs/dbraw/zinc/90/37/21/431903721.db2.gz FXSFDKFBBKHONA-CRAIPNDOSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c(OC)c1 ZINC000124749148 431903723 /nfs/dbraw/zinc/90/37/23/431903723.db2.gz FXSFDKFBBKHONA-CRAIPNDOSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c(OC)c1 ZINC000124749148 431903725 /nfs/dbraw/zinc/90/37/25/431903725.db2.gz FXSFDKFBBKHONA-CRAIPNDOSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000124749148 431903727 /nfs/dbraw/zinc/90/37/27/431903727.db2.gz FXSFDKFBBKHONA-CRAIPNDOSA-N 2 1 318.461 3.325 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127669927 431978270 /nfs/dbraw/zinc/97/82/70/431978270.db2.gz DTGCKOHNOIWIJH-XUVXKRRUSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000051919567 431953314 /nfs/dbraw/zinc/95/33/14/431953314.db2.gz WONKDBVGJRJPGO-ZDUSSCGKSA-N 2 1 311.267 3.271 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000128097987 431987432 /nfs/dbraw/zinc/98/74/32/431987432.db2.gz XGPILQDNRFGNBY-AWEZNQCLSA-N 2 1 301.409 3.460 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000128250019 431990178 /nfs/dbraw/zinc/99/01/78/431990178.db2.gz YOEPBSGYXZWMNX-MRXNPFEDSA-N 2 1 312.461 3.317 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000270666748 432273455 /nfs/dbraw/zinc/27/34/55/432273455.db2.gz RKDKBRDDYSDTMX-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000248174963 432273556 /nfs/dbraw/zinc/27/35/56/432273556.db2.gz VKKZERZGHLOOCA-OALUTQOASA-N 2 1 318.505 3.499 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174279 432274943 /nfs/dbraw/zinc/27/49/43/432274943.db2.gz VHEAJJVMEOKEBR-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174279 432274946 /nfs/dbraw/zinc/27/49/46/432274946.db2.gz VHEAJJVMEOKEBR-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174279 432274950 /nfs/dbraw/zinc/27/49/50/432274950.db2.gz VHEAJJVMEOKEBR-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174279 432274953 /nfs/dbraw/zinc/27/49/53/432274953.db2.gz VHEAJJVMEOKEBR-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3c(F)cccc3Cl)CC[C@H]21 ZINC000248174279 432274957 /nfs/dbraw/zinc/27/49/57/432274957.db2.gz VHEAJJVMEOKEBR-CXAGYDPISA-N 2 1 310.844 3.438 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000248403046 432287233 /nfs/dbraw/zinc/28/72/33/432287233.db2.gz OAVDYFDGAFKHSG-YRPNKDGESA-N 2 1 314.473 3.056 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248428810 432289788 /nfs/dbraw/zinc/28/97/88/432289788.db2.gz AYHJSZFHNKCHAV-LAUBAEHRSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000248438269 432291906 /nfs/dbraw/zinc/29/19/06/432291906.db2.gz HSLPSQYVNPFPQC-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000248441774 432292846 /nfs/dbraw/zinc/29/28/46/432292846.db2.gz KLFLZRUWBYLGMC-ACZWYYKOSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000151963055 432292981 /nfs/dbraw/zinc/29/29/81/432292981.db2.gz FMMIVKVJGFAVLB-QZTJIDSGSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000151963055 432292982 /nfs/dbraw/zinc/29/29/82/432292982.db2.gz FMMIVKVJGFAVLB-QZTJIDSGSA-N 2 1 315.505 3.365 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000248041407 432263491 /nfs/dbraw/zinc/26/34/91/432263491.db2.gz TUVYBDHZJMMLBY-IHPCNDPISA-N 2 1 315.505 3.143 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000248039108 432264328 /nfs/dbraw/zinc/26/43/28/432264328.db2.gz SFMKMETXLSKRCP-QAPCUYQASA-N 2 1 317.477 3.197 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183195727 432267250 /nfs/dbraw/zinc/26/72/50/432267250.db2.gz VOASQTQUCBZVJG-IIAWOOMASA-N 2 1 304.482 3.032 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183195727 432267254 /nfs/dbraw/zinc/26/72/54/432267254.db2.gz VOASQTQUCBZVJG-IIAWOOMASA-N 2 1 304.482 3.032 20 0 DGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152435678 432332733 /nfs/dbraw/zinc/33/27/33/432332733.db2.gz UKVVAZMHQBAENZ-APWZRJJASA-N 2 1 304.453 3.467 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000249045653 432335309 /nfs/dbraw/zinc/33/53/09/432335309.db2.gz NOCLSYPEAAMXBM-UJMXGEILSA-N 2 1 314.473 3.054 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000183958187 432338554 /nfs/dbraw/zinc/33/85/54/432338554.db2.gz FOPWHLSUJCMUNO-CVEARBPZSA-N 2 1 302.462 3.189 20 0 DGADMP C[C@@H]1CC[NH+](C/C=C/C[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192183026 432342082 /nfs/dbraw/zinc/34/20/82/432342082.db2.gz SZMXZVLZFBYCJO-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CC[N@H+](C/C=C/C[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192183026 432342086 /nfs/dbraw/zinc/34/20/86/432342086.db2.gz SZMXZVLZFBYCJO-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192183026 432342089 /nfs/dbraw/zinc/34/20/89/432342089.db2.gz SZMXZVLZFBYCJO-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccs1 ZINC000249489191 432348101 /nfs/dbraw/zinc/34/81/01/432348101.db2.gz XXBMAVKOKBYQKU-PBHICJAKSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccs1 ZINC000249489191 432348104 /nfs/dbraw/zinc/34/81/04/432348104.db2.gz XXBMAVKOKBYQKU-PBHICJAKSA-N 2 1 319.449 3.455 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000249456417 432349388 /nfs/dbraw/zinc/34/93/88/432349388.db2.gz YCHAYTOQTWJTSU-LRDDRELGSA-N 2 1 323.278 3.368 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271192009 432350629 /nfs/dbraw/zinc/35/06/29/432350629.db2.gz CQLJJHGEGTYXIQ-INIZCTEOSA-N 2 1 310.445 3.136 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271192009 432350633 /nfs/dbraw/zinc/35/06/33/432350633.db2.gz CQLJJHGEGTYXIQ-INIZCTEOSA-N 2 1 310.445 3.136 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271192009 432350638 /nfs/dbraw/zinc/35/06/38/432350638.db2.gz CQLJJHGEGTYXIQ-INIZCTEOSA-N 2 1 310.445 3.136 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152170366 432310312 /nfs/dbraw/zinc/31/03/12/432310312.db2.gz UFGQKCZTASLTCL-DOMZBBRYSA-N 2 1 311.267 3.330 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000173947519 432311045 /nfs/dbraw/zinc/31/10/45/432311045.db2.gz DFOPGAPJAIQYNO-INIZCTEOSA-N 2 1 305.466 3.013 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000173947519 432311048 /nfs/dbraw/zinc/31/10/48/432311048.db2.gz DFOPGAPJAIQYNO-INIZCTEOSA-N 2 1 305.466 3.013 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000248720503 432315326 /nfs/dbraw/zinc/31/53/26/432315326.db2.gz CHOVCVRUCZBRHO-NQYYFHDYSA-N 2 1 302.462 3.227 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000252982224 432388668 /nfs/dbraw/zinc/38/86/68/432388668.db2.gz VKMRLYPHHWUYCM-OFQRWUPVSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000252982224 432388673 /nfs/dbraw/zinc/38/86/73/432388673.db2.gz VKMRLYPHHWUYCM-OFQRWUPVSA-N 2 1 323.278 3.317 20 0 DGADMP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192590859 432391115 /nfs/dbraw/zinc/39/11/15/432391115.db2.gz FTKGZQVPTSTCCH-JKQORVJESA-N 2 1 308.491 3.146 20 0 DGADMP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192590859 432391119 /nfs/dbraw/zinc/39/11/19/432391119.db2.gz FTKGZQVPTSTCCH-JKQORVJESA-N 2 1 308.491 3.146 20 0 DGADMP c1ccc(CSCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000192599949 432391911 /nfs/dbraw/zinc/39/19/11/432391911.db2.gz BMNMVFWQLZKRFK-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000261553109 432430134 /nfs/dbraw/zinc/43/01/34/432430134.db2.gz ADGFOZHMDYUXOQ-ZDUSSCGKSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261583778 432433862 /nfs/dbraw/zinc/43/38/62/432433862.db2.gz RYPQCQQGMUJOOQ-WCUVEOEZSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261583778 432433867 /nfs/dbraw/zinc/43/38/67/432433867.db2.gz RYPQCQQGMUJOOQ-WCUVEOEZSA-N 2 1 309.251 3.179 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261625181 432434626 /nfs/dbraw/zinc/43/46/26/432434626.db2.gz AOLDIKWBQVWGTA-SCDSUCTJSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261625181 432434629 /nfs/dbraw/zinc/43/46/29/432434629.db2.gz AOLDIKWBQVWGTA-SCDSUCTJSA-N 2 1 315.244 3.041 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccc(-c3ccccn3)c1)C2 ZINC000193038923 432442038 /nfs/dbraw/zinc/44/20/38/432442038.db2.gz LSVTVCHRMWOBNE-YQQQUEKLSA-N 2 1 307.441 3.463 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000153789546 432442959 /nfs/dbraw/zinc/44/29/59/432442959.db2.gz CHUQCWGMSPZSEZ-GDAAHCPNSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000261770307 432449304 /nfs/dbraw/zinc/44/93/04/432449304.db2.gz MHTVSUONZJANEU-HXUWFJFHSA-N 2 1 310.441 3.436 20 0 DGADMP COC[C@@]1(CNc2cc[nH+]c3cc(Cl)ccc23)CCC[NH2+]1 ZINC000261811213 432452006 /nfs/dbraw/zinc/45/20/06/432452006.db2.gz ZTMVMBZFDCXWTK-INIZCTEOSA-N 2 1 305.809 3.069 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1Oc1cccnc1 ZINC000261809635 432452579 /nfs/dbraw/zinc/45/25/79/432452579.db2.gz ORRNVCJZMBBSST-LJQANCHMSA-N 2 1 311.429 3.353 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000192761493 432411666 /nfs/dbraw/zinc/41/16/66/432411666.db2.gz JAXJZACGQYYKHD-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258870017 432426640 /nfs/dbraw/zinc/42/66/40/432426640.db2.gz AQOVFTTUEFHKQT-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262046036 432471348 /nfs/dbraw/zinc/47/13/48/432471348.db2.gz PTQIPEBKKZJRML-LJQANCHMSA-N 2 1 300.446 3.193 20 0 DGADMP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262046036 432471351 /nfs/dbraw/zinc/47/13/51/432471351.db2.gz PTQIPEBKKZJRML-LJQANCHMSA-N 2 1 300.446 3.193 20 0 DGADMP C[C@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000262057820 432472006 /nfs/dbraw/zinc/47/20/06/432472006.db2.gz QVWNESSOYMDLIY-DJJJIMSYSA-N 2 1 316.395 3.376 20 0 DGADMP C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000262057820 432472011 /nfs/dbraw/zinc/47/20/11/432472011.db2.gz QVWNESSOYMDLIY-DJJJIMSYSA-N 2 1 316.395 3.376 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262126074 432474532 /nfs/dbraw/zinc/47/45/32/432474532.db2.gz LDEMXELCKRKUEZ-BFHYXJOUSA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262126074 432474537 /nfs/dbraw/zinc/47/45/37/432474537.db2.gz LDEMXELCKRKUEZ-BFHYXJOUSA-N 2 1 317.458 3.271 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]21 ZINC000262333884 432482471 /nfs/dbraw/zinc/48/24/71/432482471.db2.gz SRZGLGONNSJRTB-YLQAJVPDSA-N 2 1 315.848 3.447 20 0 DGADMP C[C@H]([NH2+]CCCn1ccnc1)c1nc(C2CCCCC2)no1 ZINC000185245891 432482784 /nfs/dbraw/zinc/48/27/84/432482784.db2.gz KVHDBHFNBUBQQQ-ZDUSSCGKSA-N 2 1 303.410 3.055 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000262391760 432484566 /nfs/dbraw/zinc/48/45/66/432484566.db2.gz ZYYCJMZJUBWKPJ-AEGPPILISA-N 2 1 314.351 3.144 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272371574 432489569 /nfs/dbraw/zinc/48/95/69/432489569.db2.gz UTSFBDSHLCIDLC-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272422067 432499288 /nfs/dbraw/zinc/49/92/88/432499288.db2.gz OACCQDDVSQFNOZ-YRPNKDGESA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261977839 432465553 /nfs/dbraw/zinc/46/55/53/432465553.db2.gz IWTAAFICYQIKNT-HXUWFJFHSA-N 2 1 324.472 3.181 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261977839 432465556 /nfs/dbraw/zinc/46/55/56/432465556.db2.gz IWTAAFICYQIKNT-HXUWFJFHSA-N 2 1 324.472 3.181 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1C ZINC000273097180 432549493 /nfs/dbraw/zinc/54/94/93/432549493.db2.gz TXBVQJNWKORXFU-UKRRQHHQSA-N 2 1 301.434 3.495 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1-c1ccccc1 ZINC000176756637 432549693 /nfs/dbraw/zinc/54/96/93/432549693.db2.gz SPWJELFEBQQQMY-HNNXBMFYSA-N 2 1 323.444 3.112 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273135756 432556837 /nfs/dbraw/zinc/55/68/37/432556837.db2.gz CWLLQASCMJBZQN-HZPDHXFCSA-N 2 1 302.462 3.447 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C ZINC000193987038 432515774 /nfs/dbraw/zinc/51/57/74/432515774.db2.gz MVASXDQGQFRZME-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C ZINC000193987038 432515776 /nfs/dbraw/zinc/51/57/76/432515776.db2.gz MVASXDQGQFRZME-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1C ZINC000194007973 432517236 /nfs/dbraw/zinc/51/72/36/432517236.db2.gz HEUJSBNOPMOLLK-SFHVURJKSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1C ZINC000194007973 432517239 /nfs/dbraw/zinc/51/72/39/432517239.db2.gz HEUJSBNOPMOLLK-SFHVURJKSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1C ZINC000194007957 432517693 /nfs/dbraw/zinc/51/76/93/432517693.db2.gz HEUJSBNOPMOLLK-GOSISDBHSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1C ZINC000194007957 432517695 /nfs/dbraw/zinc/51/76/95/432517695.db2.gz HEUJSBNOPMOLLK-GOSISDBHSA-N 2 1 302.462 3.311 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000154861043 432527015 /nfs/dbraw/zinc/52/70/15/432527015.db2.gz SNWLTEWNBJEZPU-APWZRJJASA-N 2 1 304.478 3.194 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272594700 432529454 /nfs/dbraw/zinc/52/94/54/432529454.db2.gz XRLNTXMFCKZQAH-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000155206383 432543549 /nfs/dbraw/zinc/54/35/49/432543549.db2.gz CGNYMWWRZOLANW-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617354 432613136 /nfs/dbraw/zinc/61/31/36/432613136.db2.gz ZVUZGDQRIKICRS-BFQNTYOBSA-N 2 1 308.853 3.093 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617354 432613139 /nfs/dbraw/zinc/61/31/39/432613139.db2.gz ZVUZGDQRIKICRS-BFQNTYOBSA-N 2 1 308.853 3.093 20 0 DGADMP CCN(CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000155856181 432577220 /nfs/dbraw/zinc/57/72/20/432577220.db2.gz WVDWONADMYFLIW-HNNXBMFYSA-N 2 1 312.461 3.316 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000273301306 432580658 /nfs/dbraw/zinc/58/06/58/432580658.db2.gz NALKPWRREBLPMP-ZFWWWQNUSA-N 2 1 304.459 3.009 20 0 DGADMP C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000155945012 432581547 /nfs/dbraw/zinc/58/15/47/432581547.db2.gz PPHAAHXFCBVLDA-ROUUACIJSA-N 2 1 321.553 3.494 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194862251 432582628 /nfs/dbraw/zinc/58/26/28/432582628.db2.gz QAGHAMQAWLUEDZ-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000273319700 432583787 /nfs/dbraw/zinc/58/37/87/432583787.db2.gz YWKBQHWSPMGRDA-QFHJOOASSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000273319689 432584568 /nfs/dbraw/zinc/58/45/68/432584568.db2.gz YWKBQHWSPMGRDA-ISARSNTHSA-N 2 1 302.462 3.054 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OC(C)C ZINC000186380451 432590101 /nfs/dbraw/zinc/59/01/01/432590101.db2.gz AVYMCLUXMMFEAC-BXWFABGCSA-N 2 1 320.477 3.234 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OC(C)C ZINC000186380451 432590104 /nfs/dbraw/zinc/59/01/04/432590104.db2.gz AVYMCLUXMMFEAC-BXWFABGCSA-N 2 1 320.477 3.234 20 0 DGADMP C[C@@H]1C[C@@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396936 432590706 /nfs/dbraw/zinc/59/07/06/432590706.db2.gz UMQONUUTYKARMM-CZUORRHYSA-N 2 1 316.445 3.047 20 0 DGADMP C[C@@H]1C[C@@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396936 432590709 /nfs/dbraw/zinc/59/07/09/432590709.db2.gz UMQONUUTYKARMM-CZUORRHYSA-N 2 1 316.445 3.047 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000156176241 432590839 /nfs/dbraw/zinc/59/08/39/432590839.db2.gz RYOMILYBWKPHLP-QAPCUYQASA-N 2 1 302.462 3.295 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000156176241 432590841 /nfs/dbraw/zinc/59/08/41/432590841.db2.gz RYOMILYBWKPHLP-QAPCUYQASA-N 2 1 302.462 3.295 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000264343543 432636712 /nfs/dbraw/zinc/63/67/12/432636712.db2.gz DYVYIPGICDKBHA-VQIMIIECSA-N 2 1 304.478 3.162 20 0 DGADMP c1cc2c(nc[nH+]c2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH]1 ZINC000264335688 432637633 /nfs/dbraw/zinc/63/76/33/432637633.db2.gz ULIJNRHCLDCNQY-HNNXBMFYSA-N 2 1 313.449 3.050 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158248909 432642099 /nfs/dbraw/zinc/64/20/99/432642099.db2.gz SSRJPGOOMWZFKR-RYUDHWBXSA-N 2 1 316.367 3.420 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158248909 432642101 /nfs/dbraw/zinc/64/21/01/432642101.db2.gz SSRJPGOOMWZFKR-RYUDHWBXSA-N 2 1 316.367 3.420 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000274443031 432668829 /nfs/dbraw/zinc/66/88/29/432668829.db2.gz QSQMDICRUZNZDD-YXJHDRRASA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000274443031 432668832 /nfs/dbraw/zinc/66/88/32/432668832.db2.gz QSQMDICRUZNZDD-YXJHDRRASA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1F ZINC000274443031 432668837 /nfs/dbraw/zinc/66/88/37/432668837.db2.gz QSQMDICRUZNZDD-YXJHDRRASA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1F ZINC000274443031 432668838 /nfs/dbraw/zinc/66/88/38/432668838.db2.gz QSQMDICRUZNZDD-YXJHDRRASA-N 2 1 320.452 3.039 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2F)[C@@H](C)C1 ZINC000265165589 432669090 /nfs/dbraw/zinc/66/90/90/432669090.db2.gz HDLQJXDPVJVPEH-MAUKXSAKSA-N 2 1 308.441 3.052 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC000265165589 432669093 /nfs/dbraw/zinc/66/90/93/432669093.db2.gz HDLQJXDPVJVPEH-MAUKXSAKSA-N 2 1 308.441 3.052 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC000265165589 432669097 /nfs/dbraw/zinc/66/90/97/432669097.db2.gz HDLQJXDPVJVPEH-MAUKXSAKSA-N 2 1 308.441 3.052 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2F)[C@H](C)C1 ZINC000158775740 432656422 /nfs/dbraw/zinc/65/64/22/432656422.db2.gz MJTMSARBQODQGD-PBHICJAKSA-N 2 1 310.482 3.379 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000158912059 432662143 /nfs/dbraw/zinc/66/21/43/432662143.db2.gz YWMJDFHXERNKHR-PKOBYXMFSA-N 2 1 304.478 3.047 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000274736864 432702455 /nfs/dbraw/zinc/70/24/55/432702455.db2.gz BZUKSCJWIYMWAM-UHFFFAOYSA-N 2 1 322.412 3.052 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178234210 432710768 /nfs/dbraw/zinc/71/07/68/432710768.db2.gz KQONPPUXASUEBN-HOTGVXAUSA-N 2 1 310.507 3.365 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178234210 432710773 /nfs/dbraw/zinc/71/07/73/432710773.db2.gz KQONPPUXASUEBN-HOTGVXAUSA-N 2 1 310.507 3.365 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3sccc3Br)C[C@H]21 ZINC000228472006 432718089 /nfs/dbraw/zinc/71/80/89/432718089.db2.gz BDRYDBOAIQJSEN-HOSYDEDBSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3sccc3Br)C[C@H]21 ZINC000228472006 432718093 /nfs/dbraw/zinc/71/80/93/432718093.db2.gz BDRYDBOAIQJSEN-HOSYDEDBSA-N 2 1 315.280 3.070 20 0 DGADMP C[NH+]1CCC([C@H]2CCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000274880385 432718401 /nfs/dbraw/zinc/71/84/01/432718401.db2.gz HKWOOPQBKVMOOF-ZDUSSCGKSA-N 2 1 324.266 3.012 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC000228476876 432718470 /nfs/dbraw/zinc/71/84/70/432718470.db2.gz ARMGQNRKMQDXMT-MVWJERBFSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC000228476876 432718472 /nfs/dbraw/zinc/71/84/72/432718472.db2.gz ARMGQNRKMQDXMT-MVWJERBFSA-N 2 1 315.280 3.070 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006456 432722234 /nfs/dbraw/zinc/72/22/34/432722234.db2.gz LYLVCCAHMAYBEO-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006456 432722237 /nfs/dbraw/zinc/72/22/37/432722237.db2.gz LYLVCCAHMAYBEO-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006456 432722241 /nfs/dbraw/zinc/72/22/41/432722241.db2.gz LYLVCCAHMAYBEO-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006456 432722245 /nfs/dbraw/zinc/72/22/45/432722245.db2.gz LYLVCCAHMAYBEO-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000159102058 432670470 /nfs/dbraw/zinc/67/04/70/432670470.db2.gz IOPDBPHAROWXIR-QGZVFWFLSA-N 2 1 320.477 3.384 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000265183949 432673695 /nfs/dbraw/zinc/67/36/95/432673695.db2.gz MNNYVPFPVNLKGJ-PKOBYXMFSA-N 2 1 304.478 3.222 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000159253557 432676956 /nfs/dbraw/zinc/67/69/56/432676956.db2.gz USMLKGSBNLFQNY-LPHOPBHVSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187714131 432679487 /nfs/dbraw/zinc/67/94/87/432679487.db2.gz SEDOBEYJYKPWPO-IAGOWNOFSA-N 2 1 310.507 3.416 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187763435 432683226 /nfs/dbraw/zinc/68/32/26/432683226.db2.gz JSWTUOQOLXWGNX-RBUKOAKNSA-N 2 1 304.478 3.055 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000178012147 432685644 /nfs/dbraw/zinc/68/56/44/432685644.db2.gz ZYVVYAYTBIHYGK-HNNXBMFYSA-N 2 1 314.477 3.420 20 0 DGADMP COCCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000178625681 432760599 /nfs/dbraw/zinc/76/05/99/432760599.db2.gz JFFSIORPSWCCQV-ZDUSSCGKSA-N 2 1 305.397 3.225 20 0 DGADMP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236853342 432767413 /nfs/dbraw/zinc/76/74/13/432767413.db2.gz HVBQEPRWJPLDKZ-QAPCUYQASA-N 2 1 317.477 3.375 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(F)c1 ZINC000178696666 432768150 /nfs/dbraw/zinc/76/81/50/432768150.db2.gz DKGPHMPUCRZPKG-CHWSQXEVSA-N 2 1 305.397 3.326 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000178703186 432768553 /nfs/dbraw/zinc/76/85/53/432768553.db2.gz VSBHBHSGPDKPOS-HZPDHXFCSA-N 3 1 323.444 3.364 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000276147615 432776017 /nfs/dbraw/zinc/77/60/17/432776017.db2.gz OIBXXJCBIYLWBK-MRXNPFEDSA-N 2 1 306.475 3.306 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000237201142 432779127 /nfs/dbraw/zinc/77/91/27/432779127.db2.gz YDBNYGHHXLQMNR-SJORKVTESA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000237255231 432780926 /nfs/dbraw/zinc/78/09/26/432780926.db2.gz KONOBYFPYZSUCD-WMZOPIPTSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000235724036 432744685 /nfs/dbraw/zinc/74/46/85/432744685.db2.gz YTTQYGGZUDLSFJ-GXTWGEPZSA-N 2 1 311.267 3.269 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC000162334933 432820609 /nfs/dbraw/zinc/82/06/09/432820609.db2.gz VDYISMUOJJVPSO-HXUWFJFHSA-N 2 1 316.489 3.242 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(OC2CCCC2)nc1 ZINC000162632042 432829483 /nfs/dbraw/zinc/82/94/83/432829483.db2.gz JVZVXCFOUMKRMK-VKJFTORMSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162632042 432829487 /nfs/dbraw/zinc/82/94/87/432829487.db2.gz JVZVXCFOUMKRMK-VKJFTORMSA-N 2 1 317.477 3.221 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277272277 432833432 /nfs/dbraw/zinc/83/34/32/432833432.db2.gz RSCQNYNYYBWQQR-MRXNPFEDSA-N 2 1 323.868 3.085 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000162885683 432837248 /nfs/dbraw/zinc/83/72/48/432837248.db2.gz VYXIPIUJDNCQED-SFHVURJKSA-N 2 1 313.445 3.470 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000162885683 432837251 /nfs/dbraw/zinc/83/72/51/432837251.db2.gz VYXIPIUJDNCQED-SFHVURJKSA-N 2 1 313.445 3.470 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(F)c1)CC(C)(C)C[NH3+] ZINC000161506458 432783146 /nfs/dbraw/zinc/78/31/46/432783146.db2.gz LNTIASRHNYGGJZ-UHFFFAOYSA-N 2 1 303.219 3.005 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719944 432795982 /nfs/dbraw/zinc/79/59/82/432795982.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719944 432795986 /nfs/dbraw/zinc/79/59/86/432795986.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719944 432795989 /nfs/dbraw/zinc/79/59/89/432795989.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719944 432795994 /nfs/dbraw/zinc/79/59/94/432795994.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719944 432795998 /nfs/dbraw/zinc/79/59/98/432795998.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719944 432796000 /nfs/dbraw/zinc/79/60/00/432796000.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719944 432796001 /nfs/dbraw/zinc/79/60/01/432796001.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000161719944 432796004 /nfs/dbraw/zinc/79/60/04/432796004.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000161719944 432796008 /nfs/dbraw/zinc/79/60/08/432796008.db2.gz ACUZSUAIZGGKCV-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161851214 432801921 /nfs/dbraw/zinc/80/19/21/432801921.db2.gz QTAALZSNHYTFTK-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161851214 432801925 /nfs/dbraw/zinc/80/19/25/432801925.db2.gz QTAALZSNHYTFTK-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000161962769 432806042 /nfs/dbraw/zinc/80/60/42/432806042.db2.gz BDEWUCVDLMZTHP-YOEHRIQHSA-N 2 1 315.486 3.282 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(Cc2c(Cl)cnn2C)CC1 ZINC000189658442 432807723 /nfs/dbraw/zinc/80/77/23/432807723.db2.gz UVTYJBGKBDLFJM-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000189658442 432807725 /nfs/dbraw/zinc/80/77/25/432807725.db2.gz UVTYJBGKBDLFJM-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000189658442 432807727 /nfs/dbraw/zinc/80/77/27/432807727.db2.gz UVTYJBGKBDLFJM-UHFFFAOYSA-N 2 1 312.889 3.017 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000245851816 432865050 /nfs/dbraw/zinc/86/50/50/432865050.db2.gz GHMKSZKKBSTOIJ-QXAKKESOSA-N 2 1 302.462 3.228 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000245895846 432868007 /nfs/dbraw/zinc/86/80/07/432868007.db2.gz DOIWMMBWASIBOH-QAPCUYQASA-N 2 1 321.896 3.113 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000245889558 432868131 /nfs/dbraw/zinc/86/81/31/432868131.db2.gz CBHIMZLSCWBPRJ-JKSUJKDBSA-N 2 1 312.498 3.208 20 0 DGADMP C[C@H](CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201221 432883651 /nfs/dbraw/zinc/88/36/51/432883651.db2.gz ZDTUOQGJBRWDCC-KDOFPFPSSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201221 432883654 /nfs/dbraw/zinc/88/36/54/432883654.db2.gz ZDTUOQGJBRWDCC-KDOFPFPSSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cc(F)cc(F)c1 ZINC000296201221 432883657 /nfs/dbraw/zinc/88/36/57/432883657.db2.gz ZDTUOQGJBRWDCC-KDOFPFPSSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1cc(F)cc(F)c1 ZINC000296201221 432883661 /nfs/dbraw/zinc/88/36/61/432883661.db2.gz ZDTUOQGJBRWDCC-KDOFPFPSSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278399142 432892792 /nfs/dbraw/zinc/89/27/92/432892792.db2.gz FLAMNLOQPLOLDL-XIKSMUEASA-N 2 1 314.473 3.197 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000163226059 432846709 /nfs/dbraw/zinc/84/67/09/432846709.db2.gz VNUNVFATTSYQNU-GJZGRUSLSA-N 2 1 306.450 3.005 20 0 DGADMP CC(C)(CO)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163194791 432847076 /nfs/dbraw/zinc/84/70/76/432847076.db2.gz JYJGYBBVBLBPIY-UHFFFAOYSA-N 2 1 318.505 3.082 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000163235946 432847531 /nfs/dbraw/zinc/84/75/31/432847531.db2.gz ANDNTVRQKLMBSN-CZUORRHYSA-N 2 1 308.853 3.485 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245604782 432849397 /nfs/dbraw/zinc/84/93/97/432849397.db2.gz JVYWTZUMYZUQCB-UKRRQHHQSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245604782 432849399 /nfs/dbraw/zinc/84/93/99/432849399.db2.gz JVYWTZUMYZUQCB-UKRRQHHQSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH+](C)CC[C@H]1CCC[N@@H+]1C)CCC2 ZINC000245604782 432849401 /nfs/dbraw/zinc/84/94/01/432849401.db2.gz JVYWTZUMYZUQCB-UKRRQHHQSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH+](C)CC[C@H]1CCC[N@H+]1C)CCC2 ZINC000245604782 432849403 /nfs/dbraw/zinc/84/94/03/432849403.db2.gz JVYWTZUMYZUQCB-UKRRQHHQSA-N 2 1 307.507 3.499 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163369213 432851324 /nfs/dbraw/zinc/85/13/24/432851324.db2.gz DESHCZBFOIABPK-KKBFJZEXSA-N 2 1 321.896 3.237 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nc2c(s1)CCCC2 ZINC000279030780 432927624 /nfs/dbraw/zinc/92/76/24/432927624.db2.gz WENVIWBHDNNKGG-QWHCGFSZSA-N 2 1 316.474 3.132 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2ccccc2n1 ZINC000279035079 432928593 /nfs/dbraw/zinc/92/85/93/432928593.db2.gz WNIUDPBIBSAECL-LSDHHAIUSA-N 2 1 306.413 3.345 20 0 DGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000279044459 432929325 /nfs/dbraw/zinc/92/93/25/432929325.db2.gz JPPJAGYKKBZDOG-DOTOQJQBSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)F)c1 ZINC000278884974 432913013 /nfs/dbraw/zinc/91/30/13/432913013.db2.gz DBBIJECKUGROKT-CHWSQXEVSA-N 2 1 321.371 3.398 20 0 DGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278903235 432915595 /nfs/dbraw/zinc/91/55/95/432915595.db2.gz FXBAPVGIADDXMO-SJLPKXTDSA-N 2 1 315.436 3.442 20 0 DGADMP Cc1ccncc1CCC[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000289360073 432950016 /nfs/dbraw/zinc/95/00/16/432950016.db2.gz YPNMEOJGSUSFMK-QGZVFWFLSA-N 2 1 303.494 3.424 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296546352 432921481 /nfs/dbraw/zinc/92/14/81/432921481.db2.gz RFGGQGJOABINFA-XQERAMJGSA-N 2 1 304.409 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000289589794 432968434 /nfs/dbraw/zinc/96/84/34/432968434.db2.gz BYMMBROFPGGBLH-LSTHTHJFSA-N 2 1 316.489 3.185 20 0 DGADMP Cc1ccc2nc(CNCC(C)(C)[N@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000341150379 432977192 /nfs/dbraw/zinc/97/71/92/432977192.db2.gz UNNFLXRABLPDCS-OAHLLOKOSA-N 2 1 314.477 3.243 20 0 DGADMP C[N@@H+](CC1CCC(=O)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000290083696 432990103 /nfs/dbraw/zinc/99/01/03/432990103.db2.gz QTUPZNNYJKRDLT-UHFFFAOYSA-N 2 1 314.473 3.342 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)CC1=Cc2ccccc2OC1 ZINC000349422896 432958840 /nfs/dbraw/zinc/95/88/40/432958840.db2.gz WFWKEEIWCCATIY-UHFFFAOYSA-N 2 1 300.446 3.270 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1=Cc2ccccc2OC1 ZINC000349422896 432958844 /nfs/dbraw/zinc/95/88/44/432958844.db2.gz WFWKEEIWCCATIY-UHFFFAOYSA-N 2 1 300.446 3.270 20 0 DGADMP CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289446969 432962026 /nfs/dbraw/zinc/96/20/26/432962026.db2.gz MQOFDWVNVRHQHL-UHFFFAOYSA-N 2 1 300.450 3.110 20 0 DGADMP C[C@H](CC1CCOCC1)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000349969459 433044662 /nfs/dbraw/zinc/04/46/62/433044662.db2.gz IGNXKONSUZCSIH-MRXNPFEDSA-N 2 1 319.493 3.127 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297663898 433003889 /nfs/dbraw/zinc/00/38/89/433003889.db2.gz OBBBQLVSRFMRNR-MRXNPFEDSA-N 2 1 314.473 3.332 20 0 DGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000280158984 433007409 /nfs/dbraw/zinc/00/74/09/433007409.db2.gz QQCFYOOWGAGHCS-UTKZUKDTSA-N 2 1 323.484 3.433 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000341277116 433013682 /nfs/dbraw/zinc/01/36/82/433013682.db2.gz FBMBUFBGCHEMFB-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000349810900 433014080 /nfs/dbraw/zinc/01/40/80/433014080.db2.gz DMCXRICDCUWHSO-SFHVURJKSA-N 2 1 304.478 3.239 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297824895 433021093 /nfs/dbraw/zinc/02/10/93/433021093.db2.gz ZEGWIGUZNBTVFI-UHFFFAOYSA-N 2 1 302.462 3.189 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC[N@@H+]1C ZINC000290267640 433023710 /nfs/dbraw/zinc/02/37/10/433023710.db2.gz VWVKYRMFPYBMOD-AYBZRNKSSA-N 2 1 314.473 3.153 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC[N@H+]1C ZINC000290267640 433023714 /nfs/dbraw/zinc/02/37/14/433023714.db2.gz VWVKYRMFPYBMOD-AYBZRNKSSA-N 2 1 314.473 3.153 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000290323559 433033036 /nfs/dbraw/zinc/03/30/36/433033036.db2.gz DENUPZOOTSBKRP-UHFFFAOYSA-N 2 1 323.444 3.114 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000290323559 433033044 /nfs/dbraw/zinc/03/30/44/433033044.db2.gz DENUPZOOTSBKRP-UHFFFAOYSA-N 2 1 323.444 3.114 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361726 433039141 /nfs/dbraw/zinc/03/91/41/433039141.db2.gz GWIQBEOGLMEWLQ-HNAYVOBHSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361726 433039146 /nfs/dbraw/zinc/03/91/46/433039146.db2.gz GWIQBEOGLMEWLQ-HNAYVOBHSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361726 433039148 /nfs/dbraw/zinc/03/91/48/433039148.db2.gz GWIQBEOGLMEWLQ-HNAYVOBHSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361726 433039151 /nfs/dbraw/zinc/03/91/51/433039151.db2.gz GWIQBEOGLMEWLQ-HNAYVOBHSA-N 2 1 302.462 3.247 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000341405492 433050264 /nfs/dbraw/zinc/05/02/64/433050264.db2.gz ONEATMDLRIJHAB-KRWDZBQOSA-N 2 1 306.498 3.230 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000341405492 433050270 /nfs/dbraw/zinc/05/02/70/433050270.db2.gz ONEATMDLRIJHAB-KRWDZBQOSA-N 2 1 306.498 3.230 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000280450956 433053314 /nfs/dbraw/zinc/05/33/14/433053314.db2.gz DJHFNKSGSFHASL-ZDUSSCGKSA-N 2 1 312.379 3.488 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453315027 433082996 /nfs/dbraw/zinc/08/29/96/433082996.db2.gz ZETIQMFUBACQMD-WQGACYEGSA-N 2 1 314.832 3.176 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]3C)sc2C1 ZINC000341495186 433093598 /nfs/dbraw/zinc/09/35/98/433093598.db2.gz YGBFWXAMPLYVTK-KGLIPLIRSA-N 2 1 307.507 3.435 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]3C)sc2C1 ZINC000341495186 433093610 /nfs/dbraw/zinc/09/36/10/433093610.db2.gz YGBFWXAMPLYVTK-KGLIPLIRSA-N 2 1 307.507 3.435 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1O ZINC000290558498 433095484 /nfs/dbraw/zinc/09/54/84/433095484.db2.gz DLQMXXPGFWRZTP-CABCVRRESA-N 2 1 306.450 3.316 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000361345246 433121882 /nfs/dbraw/zinc/12/18/82/433121882.db2.gz IGLOKMGXLFCYMO-UYAOXDASSA-N 2 1 316.489 3.137 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC[C@H]1CC[NH2+]C1 ZINC000420300316 433154840 /nfs/dbraw/zinc/15/48/40/433154840.db2.gz JYUMLQIYWUXPGA-MRXNPFEDSA-N 2 1 313.445 3.206 20 0 DGADMP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000425233665 433127155 /nfs/dbraw/zinc/12/71/55/433127155.db2.gz GRUMEEJIAITWIR-ZDUSSCGKSA-N 2 1 316.836 3.189 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000290655732 433128841 /nfs/dbraw/zinc/12/88/41/433128841.db2.gz KJSCEGDYVLHNHR-YZGWKJHDSA-N 2 1 324.472 3.108 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000446935556 433132412 /nfs/dbraw/zinc/13/24/12/433132412.db2.gz GCRZNBYIHDPJSE-IBGZPJMESA-N 2 1 302.462 3.079 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3CN(c4nc5ccccc5[nH]4)C[C@@H]32)cc1 ZINC000425281234 433146515 /nfs/dbraw/zinc/14/65/15/433146515.db2.gz ZLDJZNBPKMBYOH-APWZRJJASA-N 2 1 318.424 3.274 20 0 DGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420299097 433147035 /nfs/dbraw/zinc/14/70/35/433147035.db2.gz GGCAPCWWGQWKJJ-HBMCJLEFSA-N 2 1 324.468 3.063 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1 ZINC000420295223 433148537 /nfs/dbraw/zinc/14/85/37/433148537.db2.gz BYOZBTPYNXFPEI-KLICCBINSA-N 2 1 302.462 3.391 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000453393856 433149796 /nfs/dbraw/zinc/14/97/96/433149796.db2.gz GNXMQFKQQFYWKV-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420297277 433150118 /nfs/dbraw/zinc/15/01/18/433150118.db2.gz YKXRLVIWWZSRPB-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420297277 433150126 /nfs/dbraw/zinc/15/01/26/433150126.db2.gz YKXRLVIWWZSRPB-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP C[N@@H+](CCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000453394332 433150953 /nfs/dbraw/zinc/15/09/53/433150953.db2.gz GPTXNZZLJUOEFI-UHFFFAOYSA-N 3 1 307.526 3.248 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCCc2ccccc2)cc1 ZINC000420303566 433152842 /nfs/dbraw/zinc/15/28/42/433152842.db2.gz KRMLAZVPFOZOGE-LJQANCHMSA-N 2 1 312.457 3.302 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420310130 433154082 /nfs/dbraw/zinc/15/40/82/433154082.db2.gz MEEMMVMXPQGXGF-AWEZNQCLSA-N 2 1 311.267 3.331 20 0 DGADMP Cc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccccn2)c1 ZINC000420319199 433159979 /nfs/dbraw/zinc/15/99/79/433159979.db2.gz OXQYBZAYGUSQHD-SFHVURJKSA-N 2 1 309.457 3.392 20 0 DGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420313650 433160253 /nfs/dbraw/zinc/16/02/53/433160253.db2.gz YIIMXMPVDLODQI-JFIYKMOQSA-N 2 1 322.518 3.344 20 0 DGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329222 433165449 /nfs/dbraw/zinc/16/54/49/433165449.db2.gz OCBQTQBQTGFISV-NVXWUHKLSA-N 2 1 322.880 3.478 20 0 DGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326110 433166397 /nfs/dbraw/zinc/16/63/97/433166397.db2.gz JJVAQFYCBBNFJK-CXAGYDPISA-N 2 1 324.415 3.103 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000420327891 433167204 /nfs/dbraw/zinc/16/72/04/433167204.db2.gz ZBKMNUGMBPBBST-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328738 433168273 /nfs/dbraw/zinc/16/82/73/433168273.db2.gz MXXBKRIWFWVDJL-UONOGXRCSA-N 2 1 308.853 3.170 20 0 DGADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)n1C ZINC000425331791 433169868 /nfs/dbraw/zinc/16/98/68/433169868.db2.gz YHSPGCGVLVTDRR-QGZVFWFLSA-N 2 1 312.461 3.256 20 0 DGADMP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338299 433171195 /nfs/dbraw/zinc/17/11/95/433171195.db2.gz XSYCSCZQPKKEGG-KBPBESRZSA-N 2 1 310.844 3.343 20 0 DGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335611 433171331 /nfs/dbraw/zinc/17/13/31/433171331.db2.gz IYBLQNLYWJOKPZ-DYVFJYSZSA-N 2 1 316.424 3.208 20 0 DGADMP C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335611 433171335 /nfs/dbraw/zinc/17/13/35/433171335.db2.gz IYBLQNLYWJOKPZ-DYVFJYSZSA-N 2 1 316.424 3.208 20 0 DGADMP Clc1cccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355368 433174885 /nfs/dbraw/zinc/17/48/85/433174885.db2.gz FJWVDGXGBBQTGO-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1cccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355368 433174895 /nfs/dbraw/zinc/17/48/95/433174895.db2.gz FJWVDGXGBBQTGO-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656129 433174954 /nfs/dbraw/zinc/17/49/54/433174954.db2.gz KTSVZZPNCQEWDI-MTFMMBMASA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336697981 433177069 /nfs/dbraw/zinc/17/70/69/433177069.db2.gz JAYZNCXQUZVHDL-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336697981 433177074 /nfs/dbraw/zinc/17/70/74/433177074.db2.gz JAYZNCXQUZVHDL-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336697981 433177081 /nfs/dbraw/zinc/17/70/81/433177081.db2.gz JAYZNCXQUZVHDL-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336697981 433177087 /nfs/dbraw/zinc/17/70/87/433177087.db2.gz JAYZNCXQUZVHDL-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000420354399 433179000 /nfs/dbraw/zinc/17/90/00/433179000.db2.gz DCDIQRSJCHRAFW-KRWDZBQOSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361458923 433182122 /nfs/dbraw/zinc/18/21/22/433182122.db2.gz JFRHVTPVOBBTBR-ZFWWWQNUSA-N 2 1 316.367 3.166 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361458923 433182130 /nfs/dbraw/zinc/18/21/30/433182130.db2.gz JFRHVTPVOBBTBR-ZFWWWQNUSA-N 2 1 316.367 3.166 20 0 DGADMP CCc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420368831 433182783 /nfs/dbraw/zinc/18/27/83/433182783.db2.gz IMIKKBHUGNUTGA-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000420368307 433183254 /nfs/dbraw/zinc/18/32/54/433183254.db2.gz IAQJWOZKJKQMBF-IBGZPJMESA-N 3 1 309.542 3.066 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722113 433186032 /nfs/dbraw/zinc/18/60/32/433186032.db2.gz VNYTXJXFPXHBTJ-GDBMZVCRSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722113 433186037 /nfs/dbraw/zinc/18/60/37/433186037.db2.gz VNYTXJXFPXHBTJ-GDBMZVCRSA-N 2 1 301.459 3.316 20 0 DGADMP CC(C)n1cncc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336722273 433187093 /nfs/dbraw/zinc/18/70/93/433187093.db2.gz VPKIGTVHQBJRHL-GOSISDBHSA-N 2 1 312.461 3.076 20 0 DGADMP CC(C)n1cncc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336722273 433187103 /nfs/dbraw/zinc/18/71/03/433187103.db2.gz VPKIGTVHQBJRHL-GOSISDBHSA-N 2 1 312.461 3.076 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453439166 433188130 /nfs/dbraw/zinc/18/81/30/433188130.db2.gz VYCQTYOJJUXVKZ-CQSZACIVSA-N 2 1 306.450 3.229 20 0 DGADMP Clc1ccccc1O[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420375379 433189466 /nfs/dbraw/zinc/18/94/66/433189466.db2.gz PHIAHUUPHJVNTB-GJZGRUSLSA-N 2 1 308.853 3.183 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000374489122 433204299 /nfs/dbraw/zinc/20/42/99/433204299.db2.gz QZTUHCRKVZXSDZ-LJQANCHMSA-N 2 1 301.478 3.211 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726567 433268370 /nfs/dbraw/zinc/26/83/70/433268370.db2.gz GGJXPKGVXKJWPX-PWSUYJOCSA-N 2 1 321.412 3.324 20 0 DGADMP Cc1ncc(C[NH2+]CCCC[N@H+](C)C2CC2)n1-c1ccccc1 ZINC000453591519 433217790 /nfs/dbraw/zinc/21/77/90/433217790.db2.gz CLHUFXCAOIKOQA-UHFFFAOYSA-N 2 1 312.461 3.145 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c(C2CC2)nc2sccn12)C1CC1 ZINC000453596575 433225429 /nfs/dbraw/zinc/22/54/29/433225429.db2.gz LWAUMMMNIOHROC-UHFFFAOYSA-N 2 1 318.490 3.237 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000280945396 433236258 /nfs/dbraw/zinc/23/62/58/433236258.db2.gz REOSCBQXFBSYPQ-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000280945396 433236268 /nfs/dbraw/zinc/23/62/68/433236268.db2.gz REOSCBQXFBSYPQ-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP COCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291490288 433249413 /nfs/dbraw/zinc/24/94/13/433249413.db2.gz SMWIAKYQRORFDN-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000361572109 433254844 /nfs/dbraw/zinc/25/48/44/433254844.db2.gz QCADEINVVGAZAK-AWEZNQCLSA-N 2 1 316.898 3.334 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361572109 433254850 /nfs/dbraw/zinc/25/48/50/433254850.db2.gz QCADEINVVGAZAK-AWEZNQCLSA-N 2 1 316.898 3.334 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479681 433260962 /nfs/dbraw/zinc/26/09/62/433260962.db2.gz QHAYHKXVAWVXRO-IAGOWNOFSA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479681 433260967 /nfs/dbraw/zinc/26/09/67/433260967.db2.gz QHAYHKXVAWVXRO-IAGOWNOFSA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479681 433260973 /nfs/dbraw/zinc/26/09/73/433260973.db2.gz QHAYHKXVAWVXRO-IAGOWNOFSA-N 2 1 324.509 3.447 20 0 DGADMP CC[N@H+](CCC1CC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924428 433317585 /nfs/dbraw/zinc/31/75/85/433317585.db2.gz SQLJYDPSTYGJKY-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CC[N@@H+](CCC1CC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924428 433317598 /nfs/dbraw/zinc/31/75/98/433317598.db2.gz SQLJYDPSTYGJKY-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CC=CCC1 ZINC000420929925 433322798 /nfs/dbraw/zinc/32/27/98/433322798.db2.gz DXMYZGZVVDPJCY-SFHVURJKSA-N 2 1 314.473 3.307 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CC=CCC1 ZINC000420929925 433322804 /nfs/dbraw/zinc/32/28/04/433322804.db2.gz DXMYZGZVVDPJCY-SFHVURJKSA-N 2 1 314.473 3.307 20 0 DGADMP C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000420931015 433322905 /nfs/dbraw/zinc/32/29/05/433322905.db2.gz CZISMZDQTUYSRK-PXNSSMCTSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1cccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420905670 433303199 /nfs/dbraw/zinc/30/31/99/433303199.db2.gz RDPOATHWRDETAM-UHFFFAOYSA-N 2 1 324.468 3.459 20 0 DGADMP Cc1cccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420905670 433303208 /nfs/dbraw/zinc/30/32/08/433303208.db2.gz RDPOATHWRDETAM-UHFFFAOYSA-N 2 1 324.468 3.459 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420904704 433303956 /nfs/dbraw/zinc/30/39/56/433303956.db2.gz CEKGBXLLKAGKOA-IAGOWNOFSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420904704 433303970 /nfs/dbraw/zinc/30/39/70/433303970.db2.gz CEKGBXLLKAGKOA-IAGOWNOFSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC4(CCC4)C3)c2)CCO1 ZINC000448066973 433359106 /nfs/dbraw/zinc/35/91/06/433359106.db2.gz NPCZISFQYWVVHQ-INIZCTEOSA-N 2 1 314.473 3.330 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC4(CCC4)C3)c2)CCO1 ZINC000448066973 433359116 /nfs/dbraw/zinc/35/91/16/433359116.db2.gz NPCZISFQYWVVHQ-INIZCTEOSA-N 2 1 314.473 3.330 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC4(CCC4)C3)c2)CCO1 ZINC000448066974 433359837 /nfs/dbraw/zinc/35/98/37/433359837.db2.gz NPCZISFQYWVVHQ-MRXNPFEDSA-N 2 1 314.473 3.330 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC4(CCC4)C3)c2)CCO1 ZINC000448066974 433359844 /nfs/dbraw/zinc/35/98/44/433359844.db2.gz NPCZISFQYWVVHQ-MRXNPFEDSA-N 2 1 314.473 3.330 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000375095087 433360259 /nfs/dbraw/zinc/36/02/59/433360259.db2.gz UVUQJMQZSVBIEK-AWEZNQCLSA-N 2 1 305.372 3.349 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000375095087 433360266 /nfs/dbraw/zinc/36/02/66/433360266.db2.gz UVUQJMQZSVBIEK-AWEZNQCLSA-N 2 1 305.372 3.349 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000420986387 433366095 /nfs/dbraw/zinc/36/60/95/433366095.db2.gz YGJAWFCLULWJNR-RBUKOAKNSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@@H](CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OCc1ccccc1 ZINC000354862826 433327238 /nfs/dbraw/zinc/32/72/38/433327238.db2.gz XFQPELBNARWIRF-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OCc1ccccc1 ZINC000354862826 433327246 /nfs/dbraw/zinc/32/72/46/433327246.db2.gz XFQPELBNARWIRF-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OCc1ccccc1 ZINC000354862826 433327255 /nfs/dbraw/zinc/32/72/55/433327255.db2.gz XFQPELBNARWIRF-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000420933507 433329017 /nfs/dbraw/zinc/32/90/17/433329017.db2.gz GBJXCLGUSWPCEF-YLJYHZDGSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420934352 433330946 /nfs/dbraw/zinc/33/09/46/433330946.db2.gz XAKSCUGHMIWBDX-GDBMZVCRSA-N 2 1 321.465 3.024 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420934352 433330952 /nfs/dbraw/zinc/33/09/52/433330952.db2.gz XAKSCUGHMIWBDX-GDBMZVCRSA-N 2 1 321.465 3.024 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(Cl)c1OC ZINC000291735675 433331453 /nfs/dbraw/zinc/33/14/53/433331453.db2.gz OJPNONQXXDZOKX-LBPRGKRZSA-N 2 1 314.857 3.035 20 0 DGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066595 433336215 /nfs/dbraw/zinc/33/62/15/433336215.db2.gz GIDNGHCDCLRZEP-XYJFISCASA-N 2 1 302.487 3.233 20 0 DGADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000341891170 433339633 /nfs/dbraw/zinc/33/96/33/433339633.db2.gz HNBIAFQBPWFYNM-MSOLQXFVSA-N 2 1 317.521 3.348 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339069490 433340241 /nfs/dbraw/zinc/34/02/41/433340241.db2.gz WBINNKZQCIDEGV-PKOBYXMFSA-N 2 1 304.478 3.474 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068722 433340583 /nfs/dbraw/zinc/34/05/83/433340583.db2.gz MKDHVWQRVUSRQW-QWFCFKBJSA-N 2 1 316.489 3.476 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000355043437 433433537 /nfs/dbraw/zinc/43/35/37/433433537.db2.gz UYPHIFZQLUOGHQ-UHFFFAOYSA-N 2 1 318.461 3.072 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000414080371 433384134 /nfs/dbraw/zinc/38/41/34/433384134.db2.gz SYZLYTGIWVCWIZ-UKRRQHHQSA-N 2 1 301.434 3.495 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000300241815 433394430 /nfs/dbraw/zinc/39/44/30/433394430.db2.gz ULZHMLJFCSDMNH-GXTWGEPZSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421032542 433398805 /nfs/dbraw/zinc/39/88/05/433398805.db2.gz WVWMJGWKOGPXOK-APWZRJJASA-N 2 1 302.462 3.018 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425999530 433400171 /nfs/dbraw/zinc/40/01/71/433400171.db2.gz DKMVPNUHZUOHMQ-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425999530 433400176 /nfs/dbraw/zinc/40/01/76/433400176.db2.gz DKMVPNUHZUOHMQ-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000425999530 433400183 /nfs/dbraw/zinc/40/01/83/433400183.db2.gz DKMVPNUHZUOHMQ-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000425999530 433400188 /nfs/dbraw/zinc/40/01/88/433400188.db2.gz DKMVPNUHZUOHMQ-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414134284 433419005 /nfs/dbraw/zinc/41/90/05/433419005.db2.gz CGOLAVNDCBTZQQ-FFGOWVMKSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414134284 433419014 /nfs/dbraw/zinc/41/90/14/433419014.db2.gz CGOLAVNDCBTZQQ-FFGOWVMKSA-N 2 1 316.489 3.443 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000339185237 433424764 /nfs/dbraw/zinc/42/47/64/433424764.db2.gz LEEQWBJNRLDIPD-SJORKVTESA-N 2 1 321.465 3.073 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355058023 433441633 /nfs/dbraw/zinc/44/16/33/433441633.db2.gz CPJYAUURTCCPMI-PXNSSMCTSA-N 2 1 315.505 3.238 20 0 DGADMP CC1(C)COCC[N@H+]1CCNc1ccnc2c(Cl)cccc12 ZINC000342059223 433442305 /nfs/dbraw/zinc/44/23/05/433442305.db2.gz IFFASAUPZFMWMQ-UHFFFAOYSA-N 2 1 319.836 3.411 20 0 DGADMP CC1(C)COCCN1CCNc1ccnc2c(Cl)cccc12 ZINC000342059223 433442313 /nfs/dbraw/zinc/44/23/13/433442313.db2.gz IFFASAUPZFMWMQ-UHFFFAOYSA-N 2 1 319.836 3.411 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000414179098 433443982 /nfs/dbraw/zinc/44/39/82/433443982.db2.gz LEPWEFIRXYJGTB-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000414181932 433447322 /nfs/dbraw/zinc/44/73/22/433447322.db2.gz MOTMJXYXANMQPA-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cn(C)nc1C ZINC000361923074 433452445 /nfs/dbraw/zinc/45/24/45/433452445.db2.gz KEOCRBGTTDOQIZ-HFTRVMKXSA-N 2 1 306.498 3.280 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000361922445 433452762 /nfs/dbraw/zinc/45/27/62/433452762.db2.gz IVTOOOODIDEAND-BQFCYCMXSA-N 2 1 306.498 3.454 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194005 433454774 /nfs/dbraw/zinc/45/47/74/433454774.db2.gz UGUOERDQTMHFJQ-XJKSGUPXSA-N 2 1 306.425 3.143 20 0 DGADMP Cc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000301216951 433456035 /nfs/dbraw/zinc/45/60/35/433456035.db2.gz ZCQYEQOEYYJXEB-GOSISDBHSA-N 2 1 310.445 3.070 20 0 DGADMP Cc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000301216951 433456043 /nfs/dbraw/zinc/45/60/43/433456043.db2.gz ZCQYEQOEYYJXEB-GOSISDBHSA-N 2 1 310.445 3.070 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414200271 433457465 /nfs/dbraw/zinc/45/74/65/433457465.db2.gz XRLLXUXKQMOYEV-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@@H]21 ZINC000342101389 433467962 /nfs/dbraw/zinc/46/79/62/433467962.db2.gz KOBDVDADEHHGOZ-GRDNDAEWSA-N 2 1 315.848 3.447 20 0 DGADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423081510 290170075 /nfs/dbraw/zinc/17/00/75/290170075.db2.gz VBCSHDZGUFDCKC-ZFCZOSEKSA-N 2 1 324.468 3.351 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]21 ZINC000342101416 433469311 /nfs/dbraw/zinc/46/93/11/433469311.db2.gz KRAGBEMUIXHVPO-AYOQOUSVSA-N 2 1 323.440 3.433 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@@H]21 ZINC000342100412 433469401 /nfs/dbraw/zinc/46/94/01/433469401.db2.gz KEAYYESLIGELQU-RRQGHBQHSA-N 2 1 315.848 3.447 20 0 DGADMP C[N@@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301258952 433476023 /nfs/dbraw/zinc/47/60/23/433476023.db2.gz AVVLRSCHTHLWNP-UHFFFAOYSA-N 2 1 320.234 3.139 20 0 DGADMP C[N@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301258952 433476032 /nfs/dbraw/zinc/47/60/32/433476032.db2.gz AVVLRSCHTHLWNP-UHFFFAOYSA-N 2 1 320.234 3.139 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415125132 290393601 /nfs/dbraw/zinc/39/36/01/290393601.db2.gz RVSUGRHHMMTKBL-ZWKOTPCHSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000415125132 290393605 /nfs/dbraw/zinc/39/36/05/290393605.db2.gz RVSUGRHHMMTKBL-ZWKOTPCHSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000415125132 290393608 /nfs/dbraw/zinc/39/36/08/290393608.db2.gz RVSUGRHHMMTKBL-ZWKOTPCHSA-N 2 1 315.505 3.150 20 0 DGADMP CCN(Cc1ccc2ccccc2c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351437497 433511795 /nfs/dbraw/zinc/51/17/95/433511795.db2.gz BUDROCYLECOCKF-FQEVSTJZSA-N 2 1 312.457 3.117 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421370864 433514178 /nfs/dbraw/zinc/51/41/78/433514178.db2.gz JAVBFTWMBAUVRT-OALUTQOASA-N 2 1 321.553 3.305 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000351479241 433519605 /nfs/dbraw/zinc/51/96/05/433519605.db2.gz QWCGHXNRFSOBON-DFQSSKMNSA-N 2 1 310.441 3.278 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1 ZINC000414293772 433519609 /nfs/dbraw/zinc/51/96/09/433519609.db2.gz VYGZWPUXCZWEBS-MRXNPFEDSA-N 2 1 324.472 3.307 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1 ZINC000414293772 433519616 /nfs/dbraw/zinc/51/96/16/433519616.db2.gz VYGZWPUXCZWEBS-MRXNPFEDSA-N 2 1 324.472 3.307 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000351474797 433520935 /nfs/dbraw/zinc/52/09/35/433520935.db2.gz GYWMKUPRGLFPDB-VBNZEHGJSA-N 2 1 317.433 3.118 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000351474797 433520945 /nfs/dbraw/zinc/52/09/45/433520945.db2.gz GYWMKUPRGLFPDB-VBNZEHGJSA-N 2 1 317.433 3.118 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351475525 433521235 /nfs/dbraw/zinc/52/12/35/433521235.db2.gz IPKCRFYGTNTUDA-VAMGGRTRSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351475525 433521243 /nfs/dbraw/zinc/52/12/43/433521243.db2.gz IPKCRFYGTNTUDA-VAMGGRTRSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351475525 433521251 /nfs/dbraw/zinc/52/12/51/433521251.db2.gz IPKCRFYGTNTUDA-VAMGGRTRSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351475525 433521260 /nfs/dbraw/zinc/52/12/60/433521260.db2.gz IPKCRFYGTNTUDA-VAMGGRTRSA-N 2 1 316.489 3.100 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]12 ZINC000351474171 433524184 /nfs/dbraw/zinc/52/41/84/433524184.db2.gz FSJWHTDEEYZUEY-DAXOMENPSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@H]12 ZINC000351488285 433525896 /nfs/dbraw/zinc/52/58/96/433525896.db2.gz FCFBMUKAVZGDDH-FHLIZLRMSA-N 2 1 309.413 3.043 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)C(C)C ZINC000414305876 433530615 /nfs/dbraw/zinc/53/06/15/433530615.db2.gz XHAZBUFSCWOYBX-RSPOEFSDSA-N 2 1 318.505 3.282 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CC2(C)C)CC1 ZINC000426559005 433533310 /nfs/dbraw/zinc/53/33/10/433533310.db2.gz IEFCQTALXRCMLO-GOSISDBHSA-N 2 1 301.478 3.059 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000351501375 433536590 /nfs/dbraw/zinc/53/65/90/433536590.db2.gz XWYCBVDYNMOXKS-VHRBIJSZSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000351501375 433536597 /nfs/dbraw/zinc/53/65/97/433536597.db2.gz XWYCBVDYNMOXKS-VHRBIJSZSA-N 2 1 315.244 3.041 20 0 DGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)cc1 ZINC000282239946 433539328 /nfs/dbraw/zinc/53/93/28/433539328.db2.gz IZXHNKQEAYARQL-SFHVURJKSA-N 2 1 303.494 3.062 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC000355138070 433486045 /nfs/dbraw/zinc/48/60/45/433486045.db2.gz SBBPSRJVWNJBQY-DLBZAZTESA-N 2 1 301.478 3.059 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C)cc1O ZINC000426409101 433491207 /nfs/dbraw/zinc/49/12/07/433491207.db2.gz DKJOELHVUYGYER-MRXNPFEDSA-N 2 1 322.493 3.430 20 0 DGADMP CCc1nocc1C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000339279753 433492570 /nfs/dbraw/zinc/49/25/70/433492570.db2.gz POJSSWSDKQUWCV-GUYCJALGSA-N 2 1 319.474 3.471 20 0 DGADMP [NH3+]C1(C[NH2+]CCOc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000342136597 433492822 /nfs/dbraw/zinc/49/28/22/433492822.db2.gz QYAAHZJWARFOKZ-UHFFFAOYSA-N 2 1 312.413 3.329 20 0 DGADMP CC[NH+](CC)CCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000351407147 433506536 /nfs/dbraw/zinc/50/65/36/433506536.db2.gz FFTJUXZVIRGORN-OALUTQOASA-N 2 1 309.542 3.305 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539735 433562704 /nfs/dbraw/zinc/56/27/04/433562704.db2.gz VDWNSKYLOVALAO-LJQANCHMSA-N 2 1 320.452 3.025 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539735 433562706 /nfs/dbraw/zinc/56/27/06/433562706.db2.gz VDWNSKYLOVALAO-LJQANCHMSA-N 2 1 320.452 3.025 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539735 433562709 /nfs/dbraw/zinc/56/27/09/433562709.db2.gz VDWNSKYLOVALAO-LJQANCHMSA-N 2 1 320.452 3.025 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351539735 433562716 /nfs/dbraw/zinc/56/27/16/433562716.db2.gz VDWNSKYLOVALAO-LJQANCHMSA-N 2 1 320.452 3.025 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456282591 433569278 /nfs/dbraw/zinc/56/92/78/433569278.db2.gz SCNJDMYIXYYNNW-ZWKOTPCHSA-N 2 1 315.461 3.048 20 0 DGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc3nccn32)n1 ZINC000375827439 433580179 /nfs/dbraw/zinc/58/01/79/433580179.db2.gz ZKMZXZLMDMBUDG-INIZCTEOSA-N 2 1 321.428 3.114 20 0 DGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000282375336 433583248 /nfs/dbraw/zinc/58/32/48/433583248.db2.gz QMFQUJQSNGXSNY-LBPRGKRZSA-N 2 1 315.914 3.078 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435052 433584547 /nfs/dbraw/zinc/58/45/47/433584547.db2.gz SWBHGPYGMKDZBN-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435052 433584556 /nfs/dbraw/zinc/58/45/56/433584556.db2.gz SWBHGPYGMKDZBN-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435052 433584560 /nfs/dbraw/zinc/58/45/60/433584560.db2.gz SWBHGPYGMKDZBN-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435052 433584567 /nfs/dbraw/zinc/58/45/67/433584567.db2.gz SWBHGPYGMKDZBN-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571660 433588779 /nfs/dbraw/zinc/58/87/79/433588779.db2.gz AKUMFYRBCXCTHW-ROUUACIJSA-N 2 1 322.468 3.348 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571660 433588790 /nfs/dbraw/zinc/58/87/90/433588790.db2.gz AKUMFYRBCXCTHW-ROUUACIJSA-N 2 1 322.468 3.348 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351578155 433592266 /nfs/dbraw/zinc/59/22/66/433592266.db2.gz GXDCOQHDWMTTRQ-IEBWSBKVSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351578155 433592278 /nfs/dbraw/zinc/59/22/78/433592278.db2.gz GXDCOQHDWMTTRQ-IEBWSBKVSA-N 2 1 304.478 3.127 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000282412058 433596984 /nfs/dbraw/zinc/59/69/84/433596984.db2.gz GAWSYYAVUHDCIB-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000282412058 433596998 /nfs/dbraw/zinc/59/69/98/433596998.db2.gz GAWSYYAVUHDCIB-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP COC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000342299891 433601972 /nfs/dbraw/zinc/60/19/72/433601972.db2.gz AAVMWIGPPKNRFP-KRWDZBQOSA-N 2 1 305.397 3.088 20 0 DGADMP Cc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000414419493 433605903 /nfs/dbraw/zinc/60/59/03/433605903.db2.gz ZSIVBRXEYJKODY-KRWDZBQOSA-N 2 1 316.493 3.262 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000293038496 433608891 /nfs/dbraw/zinc/60/88/91/433608891.db2.gz SBYHTBJNCPUDFL-ROUUACIJSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038496 433608898 /nfs/dbraw/zinc/60/88/98/433608898.db2.gz SBYHTBJNCPUDFL-ROUUACIJSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038496 433608904 /nfs/dbraw/zinc/60/89/04/433608904.db2.gz SBYHTBJNCPUDFL-ROUUACIJSA-N 2 1 322.880 3.445 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccsc1Br ZINC000282444747 433609627 /nfs/dbraw/zinc/60/96/27/433609627.db2.gz NJWWOYVRPXLCEX-CKYFFXLPSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000282516479 433615440 /nfs/dbraw/zinc/61/54/40/433615440.db2.gz ZIQOVJATYUJKJX-QFBILLFUSA-N 2 1 315.505 3.241 20 0 DGADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000356703011 433656686 /nfs/dbraw/zinc/65/66/86/433656686.db2.gz UWJMSWNCDAXRFB-ZDUSSCGKSA-N 2 1 313.511 3.021 20 0 DGADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000356703011 433656696 /nfs/dbraw/zinc/65/66/96/433656696.db2.gz UWJMSWNCDAXRFB-ZDUSSCGKSA-N 2 1 313.511 3.021 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000356770023 433689177 /nfs/dbraw/zinc/68/91/77/433689177.db2.gz IHVUOOHJFCIMFB-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000356770023 433689184 /nfs/dbraw/zinc/68/91/84/433689184.db2.gz IHVUOOHJFCIMFB-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000283195702 433689198 /nfs/dbraw/zinc/68/91/98/433689198.db2.gz KYHJQAACLNISKY-SQNIBIBYSA-N 2 1 321.896 3.159 20 0 DGADMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000367082214 293022856 /nfs/dbraw/zinc/02/28/56/293022856.db2.gz YPSCZXNEUFCWFP-GUDVDZBRSA-N 2 1 308.510 3.268 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367322501 293054657 /nfs/dbraw/zinc/05/46/57/293054657.db2.gz SHZURMHSSYXQBE-CSFFLVESSA-N 2 1 302.462 3.225 20 0 DGADMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)C1 ZINC000368156713 293097785 /nfs/dbraw/zinc/09/77/85/293097785.db2.gz ALSBVZFJOADGQX-KRWDZBQOSA-N 2 1 301.821 3.420 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)C1 ZINC000368156713 293097786 /nfs/dbraw/zinc/09/77/86/293097786.db2.gz ALSBVZFJOADGQX-KRWDZBQOSA-N 2 1 301.821 3.420 20 0 DGADMP Cc1cccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000362434099 433710375 /nfs/dbraw/zinc/71/03/75/433710375.db2.gz JLLNZYVQWKQFNO-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](CCSc1ccc(F)cc1)CC2 ZINC000371688843 293225139 /nfs/dbraw/zinc/22/51/39/293225139.db2.gz KRQJSNWCLFZJTR-UHFFFAOYSA-N 2 1 308.466 3.478 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CCSc1ccc(F)cc1)CC2 ZINC000371688843 293225141 /nfs/dbraw/zinc/22/51/41/293225141.db2.gz KRQJSNWCLFZJTR-UHFFFAOYSA-N 2 1 308.466 3.478 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000373372265 293267135 /nfs/dbraw/zinc/26/71/35/293267135.db2.gz DPPXLDAMGGMVQO-CMKODMSKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000373372265 293267138 /nfs/dbraw/zinc/26/71/38/293267138.db2.gz DPPXLDAMGGMVQO-CMKODMSKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000373372265 293267141 /nfs/dbraw/zinc/26/71/41/293267141.db2.gz DPPXLDAMGGMVQO-CMKODMSKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000373372265 293267143 /nfs/dbraw/zinc/26/71/43/293267143.db2.gz DPPXLDAMGGMVQO-CMKODMSKSA-N 2 1 316.489 3.306 20 0 DGADMP COCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374064229 293348477 /nfs/dbraw/zinc/34/84/77/293348477.db2.gz IFFYAULHGOPZAA-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374064229 293348479 /nfs/dbraw/zinc/34/84/79/293348479.db2.gz IFFYAULHGOPZAA-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374064229 293348480 /nfs/dbraw/zinc/34/84/80/293348480.db2.gz IFFYAULHGOPZAA-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356854255 433732027 /nfs/dbraw/zinc/73/20/27/433732027.db2.gz UGTSAXRJPSOFHO-HKUYNNGSSA-N 2 1 316.489 3.364 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000356857940 433736596 /nfs/dbraw/zinc/73/65/96/433736596.db2.gz CCGHDKKOTPBMSX-IUODEOHRSA-N 2 1 316.367 3.058 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)[C@H]1C ZINC000449385430 433740574 /nfs/dbraw/zinc/74/05/74/433740574.db2.gz QKJKOYDGCBCKEU-XSLAGTTESA-N 2 1 324.509 3.064 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421819003 433745490 /nfs/dbraw/zinc/74/54/90/433745490.db2.gz DOLGXKRVFLCMOB-HKUYNNGSSA-N 2 1 315.505 3.431 20 0 DGADMP CC(C)(C)OC(=O)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000342709760 433749622 /nfs/dbraw/zinc/74/96/22/433749622.db2.gz PEVOKSLVOSGXGE-UHFFFAOYSA-N 2 1 324.509 3.449 20 0 DGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351844584 433750114 /nfs/dbraw/zinc/75/01/14/433750114.db2.gz JPUNJPMXMZXKJK-MHORFTMASA-N 2 1 323.525 3.017 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000356896209 433756636 /nfs/dbraw/zinc/75/66/36/433756636.db2.gz QYIOIEVSZQYZCP-SJLPKXTDSA-N 2 1 301.478 3.107 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659756 433773334 /nfs/dbraw/zinc/77/33/34/433773334.db2.gz LSZSVEXKLOCHCX-SWLSCSKDSA-N 2 1 300.368 3.493 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659756 433773338 /nfs/dbraw/zinc/77/33/38/433773338.db2.gz LSZSVEXKLOCHCX-SWLSCSKDSA-N 2 1 300.368 3.493 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852884 433776155 /nfs/dbraw/zinc/77/61/55/433776155.db2.gz IBFDESVDHUQGAX-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852884 433776165 /nfs/dbraw/zinc/77/61/65/433776165.db2.gz IBFDESVDHUQGAX-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851751 433824275 /nfs/dbraw/zinc/82/42/75/433824275.db2.gz ZNNCHCKECUAGGF-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851751 433824285 /nfs/dbraw/zinc/82/42/85/433824285.db2.gz ZNNCHCKECUAGGF-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000339851751 433824290 /nfs/dbraw/zinc/82/42/90/433824290.db2.gz ZNNCHCKECUAGGF-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2Br)C1 ZINC000339851751 433824301 /nfs/dbraw/zinc/82/43/01/433824301.db2.gz ZNNCHCKECUAGGF-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)n1-c1ccccc1 ZINC000293572191 433786075 /nfs/dbraw/zinc/78/60/75/433786075.db2.gz HBQXAXCJCJUZIQ-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH2+]1 ZINC000414683112 433788933 /nfs/dbraw/zinc/78/89/33/433788933.db2.gz SPOANHYHVBKCMP-IAGOWNOFSA-N 2 1 301.478 3.107 20 0 DGADMP CCC[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414772545 433824679 /nfs/dbraw/zinc/82/46/79/433824679.db2.gz CBOVQUPRZLZSMF-RTBURBONSA-N 2 1 316.489 3.258 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CC[NH2+]1 ZINC000414696598 433796463 /nfs/dbraw/zinc/79/64/63/433796463.db2.gz BAPUAVPJDMYOHE-BRWVUGGUSA-N 2 1 304.503 3.489 20 0 DGADMP COCc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000376669707 433796917 /nfs/dbraw/zinc/79/69/17/433796917.db2.gz DHJCSBQTMIDQBF-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000449783955 433798778 /nfs/dbraw/zinc/79/87/78/433798778.db2.gz TVKIMRDHTBKGGJ-UHFFFAOYSA-N 2 1 315.505 3.115 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CO1 ZINC000414706032 433801189 /nfs/dbraw/zinc/80/11/89/433801189.db2.gz OGEVJRSKIFZXSB-BMFAXAFESA-N 2 1 302.462 3.145 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)CO1 ZINC000414706038 433801985 /nfs/dbraw/zinc/80/19/85/433801985.db2.gz OGEVJRSKIFZXSB-NTDBWNAOSA-N 2 1 302.462 3.145 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](CCCO)C1 ZINC000449790749 433804504 /nfs/dbraw/zinc/80/45/04/433804504.db2.gz MDFKJUNMUYRNKR-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449790749 433804513 /nfs/dbraw/zinc/80/45/13/433804513.db2.gz MDFKJUNMUYRNKR-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000449790749 433804520 /nfs/dbraw/zinc/80/45/20/433804520.db2.gz MDFKJUNMUYRNKR-LJQANCHMSA-N 2 1 318.505 3.239 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000414712982 433805278 /nfs/dbraw/zinc/80/52/78/433805278.db2.gz VBSQGYIGWRCOGS-KCQAQPDRSA-N 2 1 307.507 3.403 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC[NH2+]1 ZINC000414732456 433812611 /nfs/dbraw/zinc/81/26/11/433812611.db2.gz BSAJSRGHNLENAI-DOTOQJQBSA-N 2 1 320.452 3.195 20 0 DGADMP C[N@@H+](CCC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000414738617 433812958 /nfs/dbraw/zinc/81/29/58/433812958.db2.gz DWUGXDHKZFCULS-LBPRGKRZSA-N 2 1 315.280 3.267 20 0 DGADMP Cc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302034124 433814076 /nfs/dbraw/zinc/81/40/76/433814076.db2.gz JHVIPJDIOFHCNC-DOTOQJQBSA-N 2 1 302.466 3.184 20 0 DGADMP Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302034124 433814083 /nfs/dbraw/zinc/81/40/83/433814083.db2.gz JHVIPJDIOFHCNC-DOTOQJQBSA-N 2 1 302.466 3.184 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414765330 433822159 /nfs/dbraw/zinc/82/21/59/433822159.db2.gz FOUMCGASFJFGJY-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770678 433826131 /nfs/dbraw/zinc/82/61/31/433826131.db2.gz PKCCEZLZMKWZTM-OKILXGFUSA-N 2 1 308.853 3.170 20 0 DGADMP CC(C)[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775244 433826341 /nfs/dbraw/zinc/82/63/41/433826341.db2.gz GIHMMNDHQRQMOO-OALUTQOASA-N 2 1 316.489 3.114 20 0 DGADMP CSc1cc(Br)ccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000414775585 433828211 /nfs/dbraw/zinc/82/82/11/433828211.db2.gz MEKYDEGZWVICET-UHFFFAOYSA-N 2 1 315.280 3.093 20 0 DGADMP CSc1cc(Br)ccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414775585 433828219 /nfs/dbraw/zinc/82/82/19/433828219.db2.gz MEKYDEGZWVICET-UHFFFAOYSA-N 2 1 315.280 3.093 20 0 DGADMP Fc1ccc2oc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414782453 433830345 /nfs/dbraw/zinc/83/03/45/433830345.db2.gz OOWQBDGOFSXOJO-UONOGXRCSA-N 2 1 302.393 3.393 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000339864892 433830655 /nfs/dbraw/zinc/83/06/55/433830655.db2.gz DFTBULMDTTYGAY-LJQANCHMSA-N 2 1 302.462 3.324 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc2O1 ZINC000414781951 433831722 /nfs/dbraw/zinc/83/17/22/433831722.db2.gz NUSOYVHSOHFGJK-IRXDYDNUSA-N 2 1 314.473 3.222 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2cccnc12 ZINC000414787671 433832621 /nfs/dbraw/zinc/83/26/21/433832621.db2.gz VSZLOIZKBINLGD-RBUKOAKNSA-N 2 1 309.457 3.365 20 0 DGADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000293702087 433832821 /nfs/dbraw/zinc/83/28/21/433832821.db2.gz RPSPRIBZKQYZMZ-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000293702087 433832830 /nfs/dbraw/zinc/83/28/30/433832830.db2.gz RPSPRIBZKQYZMZ-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccccc2)n1 ZINC000293702087 433832841 /nfs/dbraw/zinc/83/28/41/433832841.db2.gz RPSPRIBZKQYZMZ-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2ccccc2)n1 ZINC000293702087 433832847 /nfs/dbraw/zinc/83/28/47/433832847.db2.gz RPSPRIBZKQYZMZ-FQEVSTJZSA-N 2 1 324.472 3.005 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2csc3ccccc23)CC12CCOCC2 ZINC000414785295 433835296 /nfs/dbraw/zinc/83/52/96/433835296.db2.gz JOXZFCOGXVBDGK-HNNXBMFYSA-N 2 1 316.470 3.089 20 0 DGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414783199 433835914 /nfs/dbraw/zinc/83/59/14/433835914.db2.gz POBMBFMLESDVND-KGLIPLIRSA-N 2 1 307.507 3.262 20 0 DGADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414790522 433840223 /nfs/dbraw/zinc/84/02/23/433840223.db2.gz ZZICNPPMKVBLIX-IRXDYDNUSA-N 2 1 311.429 3.163 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414807729 433849701 /nfs/dbraw/zinc/84/97/01/433849701.db2.gz CZGXQCCGQHUSFU-QGZVFWFLSA-N 2 1 313.445 3.268 20 0 DGADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCc1ccccc1 ZINC000414806007 433849962 /nfs/dbraw/zinc/84/99/62/433849962.db2.gz PLGWGBFAXRDOCN-UHFFFAOYSA-N 2 1 314.429 3.101 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(C)c(Br)s1 ZINC000414805605 433850734 /nfs/dbraw/zinc/85/07/34/433850734.db2.gz GVPVAULSMPZANS-UHFFFAOYSA-N 2 1 305.285 3.426 20 0 DGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357069039 433852962 /nfs/dbraw/zinc/85/29/62/433852962.db2.gz FFKBMSQYVCIRCP-AWEZNQCLSA-N 2 1 307.507 3.262 20 0 DGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414813071 433853898 /nfs/dbraw/zinc/85/38/98/433853898.db2.gz LSYJGKSQLGOCLN-FUNVUKJBSA-N 2 1 316.779 3.314 20 0 DGADMP Cc1cncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338292 433855632 /nfs/dbraw/zinc/85/56/32/433855632.db2.gz WASKOFDEVCEREH-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338292 433855639 /nfs/dbraw/zinc/85/56/39/433855639.db2.gz WASKOFDEVCEREH-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338292 433855645 /nfs/dbraw/zinc/85/56/45/433855645.db2.gz WASKOFDEVCEREH-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338292 433855654 /nfs/dbraw/zinc/85/56/54/433855654.db2.gz WASKOFDEVCEREH-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP COC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000377330854 433855694 /nfs/dbraw/zinc/85/56/94/433855694.db2.gz OQQUGZPFCABLCL-KRWDZBQOSA-N 2 1 302.462 3.009 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000414818734 433856992 /nfs/dbraw/zinc/85/69/92/433856992.db2.gz WLWDHAIJDNLHEQ-HOTGVXAUSA-N 2 1 305.466 3.128 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000414823065 433863459 /nfs/dbraw/zinc/86/34/59/433863459.db2.gz AQHQJERMKXFMIT-MNOVXSKESA-N 2 1 315.230 3.066 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000284249454 433868594 /nfs/dbraw/zinc/86/85/94/433868594.db2.gz IJJLEMQUPMASAD-NWDGAFQWSA-N 2 1 322.840 3.235 20 0 DGADMP CC[C@@](C)(O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284242560 433870136 /nfs/dbraw/zinc/87/01/36/433870136.db2.gz VCWNGODZIRRZMM-CTWPCTMYSA-N 2 1 304.478 3.180 20 0 DGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414914992 433913134 /nfs/dbraw/zinc/91/31/34/433913134.db2.gz LPFDMVWZBMCBMV-LBPRGKRZSA-N 2 1 304.768 3.173 20 0 DGADMP C[C@@H]([NH2+]CC1(C)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233406 433919367 /nfs/dbraw/zinc/91/93/67/433919367.db2.gz PQMDSSRDAGZGTM-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414930776 433920997 /nfs/dbraw/zinc/92/09/97/433920997.db2.gz QMLVGZCJELCDEU-GOSISDBHSA-N 2 1 301.478 3.023 20 0 DGADMP Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1C ZINC000362953137 433924743 /nfs/dbraw/zinc/92/47/43/433924743.db2.gz XNYZDRDAHQLZTL-INIZCTEOSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1C ZINC000362953137 433924750 /nfs/dbraw/zinc/92/47/50/433924750.db2.gz XNYZDRDAHQLZTL-INIZCTEOSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1C ZINC000362953137 433924760 /nfs/dbraw/zinc/92/47/60/433924760.db2.gz XNYZDRDAHQLZTL-INIZCTEOSA-N 2 1 318.509 3.205 20 0 DGADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000414939403 433925863 /nfs/dbraw/zinc/92/58/63/433925863.db2.gz YKXGTHGJYPMGFT-GFCCVEGCSA-N 2 1 322.811 3.495 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414944932 433929012 /nfs/dbraw/zinc/92/90/12/433929012.db2.gz QSCYUVZTIFWEDE-UHFFFAOYSA-N 2 1 312.461 3.227 20 0 DGADMP CCCCCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000414949137 433930457 /nfs/dbraw/zinc/93/04/57/433930457.db2.gz NCGZBIIQYVGERJ-DOTOQJQBSA-N 2 1 320.477 3.494 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242052 433931852 /nfs/dbraw/zinc/93/18/52/433931852.db2.gz RKLZVNDOZFFZHE-VAMGGRTRSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242052 433931860 /nfs/dbraw/zinc/93/18/60/433931860.db2.gz RKLZVNDOZFFZHE-VAMGGRTRSA-N 3 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242052 433931864 /nfs/dbraw/zinc/93/18/64/433931864.db2.gz RKLZVNDOZFFZHE-VAMGGRTRSA-N 3 1 315.505 3.019 20 0 DGADMP CN(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242052 433931872 /nfs/dbraw/zinc/93/18/72/433931872.db2.gz RKLZVNDOZFFZHE-VAMGGRTRSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C[NH3+] ZINC000422640438 433933430 /nfs/dbraw/zinc/93/34/30/433933430.db2.gz VOKSIHOVWYUFJY-IPYPFGDCSA-N 2 1 317.408 3.286 20 0 DGADMP Clc1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414850225 433881954 /nfs/dbraw/zinc/88/19/54/433881954.db2.gz IBHOYQOWTDKHPT-CQSZACIVSA-N 2 1 308.853 3.218 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414855900 433886083 /nfs/dbraw/zinc/88/60/83/433886083.db2.gz XVGCIDDMPUOJBI-RHSMWYFYSA-N 2 1 320.477 3.132 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414861232 433891620 /nfs/dbraw/zinc/89/16/20/433891620.db2.gz WFPBOATZTMYDOM-WDEREUQCSA-N 2 1 317.260 3.480 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000422714378 433944749 /nfs/dbraw/zinc/94/47/49/433944749.db2.gz QVBQYIFYFAOWNM-NEPXVJNWSA-N 2 1 304.478 3.130 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422710667 433945445 /nfs/dbraw/zinc/94/54/45/433945445.db2.gz FJDJDYZLPJSYIL-MSOLQXFVSA-N 2 1 317.477 3.421 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414970361 433945918 /nfs/dbraw/zinc/94/59/18/433945918.db2.gz KJJAAYVJCYOSKI-SFHVURJKSA-N 2 1 324.472 3.327 20 0 DGADMP C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1c[nH+]ccc1N ZINC000422720683 433949849 /nfs/dbraw/zinc/94/98/49/433949849.db2.gz MRMJJEDRBOQZSH-MRXNPFEDSA-N 2 1 313.445 3.184 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422732705 433953595 /nfs/dbraw/zinc/95/35/95/433953595.db2.gz QESBJVPFLPIQFN-NCXUSEDFSA-N 2 1 307.526 3.151 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422729445 433957190 /nfs/dbraw/zinc/95/71/90/433957190.db2.gz IBMWECFWBVQVND-OWCLPIDISA-N 2 1 307.507 3.135 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422732701 433957744 /nfs/dbraw/zinc/95/77/44/433957744.db2.gz QESBJVPFLPIQFN-AKHDSKFASA-N 2 1 307.526 3.151 20 0 DGADMP C[N@@H+](Cc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422735298 433958899 /nfs/dbraw/zinc/95/88/99/433958899.db2.gz VWERQXHEVTWMQF-PMACEKPBSA-N 2 1 315.505 3.421 20 0 DGADMP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422735298 433958904 /nfs/dbraw/zinc/95/89/04/433958904.db2.gz VWERQXHEVTWMQF-PMACEKPBSA-N 3 1 315.505 3.421 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422735298 433958917 /nfs/dbraw/zinc/95/89/17/433958917.db2.gz VWERQXHEVTWMQF-PMACEKPBSA-N 3 1 315.505 3.421 20 0 DGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1c1ccccc1 ZINC000340183788 433962698 /nfs/dbraw/zinc/96/26/98/433962698.db2.gz DMOJFYPCRZITPD-ZGXWSNOMSA-N 2 1 313.489 3.038 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nc1 ZINC000414996577 433963148 /nfs/dbraw/zinc/96/31/48/433963148.db2.gz GNAYKVSWVMYNRL-QFBILLFUSA-N 2 1 313.420 3.012 20 0 DGADMP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340178913 433964662 /nfs/dbraw/zinc/96/46/62/433964662.db2.gz DRUYFPJQOKIMMC-MOPGFXCFSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340178913 433964669 /nfs/dbraw/zinc/96/46/69/433964669.db2.gz DRUYFPJQOKIMMC-MOPGFXCFSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743667 433968651 /nfs/dbraw/zinc/96/86/51/433968651.db2.gz IWGNLPDKJNGVAB-UWVAXJGDSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415005280 433968607 /nfs/dbraw/zinc/96/86/07/433968607.db2.gz RJIZZBKGZYYQEE-DGCLKSJQSA-N 2 1 302.796 3.105 20 0 DGADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191400 433974231 /nfs/dbraw/zinc/97/42/31/433974231.db2.gz OGIFORMUVVMSHR-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191400 433974241 /nfs/dbraw/zinc/97/42/41/433974241.db2.gz OGIFORMUVVMSHR-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422759676 433975118 /nfs/dbraw/zinc/97/51/18/433975118.db2.gz FYDYTDNBFBKMFA-YZGWKJHDSA-N 2 1 315.505 3.334 20 0 DGADMP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CCC[NH3+])CCCC1)c1ccccc1 ZINC000422766487 433982315 /nfs/dbraw/zinc/98/23/15/433982315.db2.gz QDQAIBAXQBJTCK-DLBZAZTESA-N 3 1 303.494 3.367 20 0 DGADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000422765790 433982884 /nfs/dbraw/zinc/98/28/84/433982884.db2.gz LFPJBLTZWOQJLP-CVEARBPZSA-N 2 1 322.518 3.307 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(C)COC1 ZINC000285532554 433983835 /nfs/dbraw/zinc/98/38/35/433983835.db2.gz SKWDCUOXJIEMTE-MRXNPFEDSA-N 2 1 302.462 3.187 20 0 DGADMP CCC[NH+]1CCC(NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436313789 433937710 /nfs/dbraw/zinc/93/77/10/433937710.db2.gz XQBQMPCDICFCPR-LJQANCHMSA-N 2 1 307.526 3.248 20 0 DGADMP CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000352246196 434003603 /nfs/dbraw/zinc/00/36/03/434003603.db2.gz NKIFHGNEXZHUAA-UHFFFAOYSA-N 2 1 309.457 3.398 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377833003 434008354 /nfs/dbraw/zinc/00/83/54/434008354.db2.gz WLYNBYYUIDDRLO-PMACEKPBSA-N 2 1 315.505 3.238 20 0 DGADMP C[N@@H+]1CC[C@H](N[C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246954 434012323 /nfs/dbraw/zinc/01/23/23/434012323.db2.gz ZGCWLPHYEDSKME-UFYCRDLUSA-N 2 1 310.441 3.145 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246954 434012331 /nfs/dbraw/zinc/01/23/31/434012331.db2.gz ZGCWLPHYEDSKME-UFYCRDLUSA-N 2 1 310.441 3.145 20 0 DGADMP COCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422801665 434015165 /nfs/dbraw/zinc/01/51/65/434015165.db2.gz CIPOUXVFTFUENQ-UXHICEINSA-N 2 1 310.441 3.416 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000340254633 434015530 /nfs/dbraw/zinc/01/55/30/434015530.db2.gz CLACUFFKIBPFSX-QZTJIDSGSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000340254633 434015540 /nfs/dbraw/zinc/01/55/40/434015540.db2.gz CLACUFFKIBPFSX-QZTJIDSGSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422806651 434020010 /nfs/dbraw/zinc/02/00/10/434020010.db2.gz IRWJZAOQTQJOHP-IINYFYTJSA-N 2 1 315.230 3.066 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422810306 434021842 /nfs/dbraw/zinc/02/18/42/434021842.db2.gz RIWFEAJUHLOJND-VAMGGRTRSA-N 2 1 315.505 3.149 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285634226 434023594 /nfs/dbraw/zinc/02/35/94/434023594.db2.gz XGTHSGPCGPTMTA-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP Cc1cccc(C)c1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285634226 434023597 /nfs/dbraw/zinc/02/35/97/434023597.db2.gz XGTHSGPCGPTMTA-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP Cc1cccc(C)c1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285634226 434023605 /nfs/dbraw/zinc/02/36/05/434023605.db2.gz XGTHSGPCGPTMTA-JWTNVVGKSA-N 2 1 302.462 3.239 20 0 DGADMP CC[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422813924 434025795 /nfs/dbraw/zinc/02/57/95/434025795.db2.gz ZCLPZXITFXHZGC-AABGKKOBSA-N 2 1 315.505 3.073 20 0 DGADMP CC[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813924 434025807 /nfs/dbraw/zinc/02/58/07/434025807.db2.gz ZCLPZXITFXHZGC-AABGKKOBSA-N 2 1 315.505 3.073 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422833430 434034137 /nfs/dbraw/zinc/03/41/37/434034137.db2.gz GVRGHXJOYDGXPF-HZPDHXFCSA-N 3 1 309.523 3.067 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422833430 434034148 /nfs/dbraw/zinc/03/41/48/434034148.db2.gz GVRGHXJOYDGXPF-HZPDHXFCSA-N 3 1 309.523 3.067 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000352301156 434035621 /nfs/dbraw/zinc/03/56/21/434035621.db2.gz HRDOEOSXAMCCOF-BRSBDYLESA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000352301156 434035629 /nfs/dbraw/zinc/03/56/29/434035629.db2.gz HRDOEOSXAMCCOF-BRSBDYLESA-N 2 1 306.494 3.044 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccncc4)C3)C2)cc1 ZINC000285675285 434035771 /nfs/dbraw/zinc/03/57/71/434035771.db2.gz UMEMMIOYMOZKBG-HXUWFJFHSA-N 2 1 307.441 3.180 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1Br)c1c[nH+]ccc1N ZINC000422835529 434040220 /nfs/dbraw/zinc/04/02/20/434040220.db2.gz YRWGGMONKDVHFO-LLVKDONJSA-N 2 1 320.234 3.150 20 0 DGADMP COc1ccc2cc([C@H](C)[NH2+]CCc3c[nH+]cn3C)ccc2c1 ZINC000401708197 293868629 /nfs/dbraw/zinc/86/86/29/293868629.db2.gz SXUBCOCJLVLJCJ-AWEZNQCLSA-N 2 1 309.413 3.475 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836388 434041811 /nfs/dbraw/zinc/04/18/11/434041811.db2.gz JXALDPIMLUSTQK-OYGLOCFBSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836388 434041824 /nfs/dbraw/zinc/04/18/24/434041824.db2.gz JXALDPIMLUSTQK-OYGLOCFBSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422836760 434042198 /nfs/dbraw/zinc/04/21/98/434042198.db2.gz RYWRHSDXXFAPSF-ZDUSSCGKSA-N 2 1 303.381 3.143 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CCC[NH+](C)C)CC1 ZINC000340291669 434043394 /nfs/dbraw/zinc/04/33/94/434043394.db2.gz SJJRTOOWHWOANA-LJQANCHMSA-N 2 1 309.542 3.303 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CCC[NH+](C)C)CC1 ZINC000340291669 434043404 /nfs/dbraw/zinc/04/34/04/434043404.db2.gz SJJRTOOWHWOANA-LJQANCHMSA-N 2 1 309.542 3.303 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)s1 ZINC000305130351 434045376 /nfs/dbraw/zinc/04/53/76/434045376.db2.gz MRLPUSURXVGFLW-HOCLYGCPSA-N 2 1 310.507 3.252 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840927 434045842 /nfs/dbraw/zinc/04/58/42/434045842.db2.gz UVDJEUDRDIHFOA-LMCOJAPRSA-N 2 1 315.505 3.160 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340228335 433997355 /nfs/dbraw/zinc/99/73/55/433997355.db2.gz AZVZFLKGLJIGTF-PCCBWWKXSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340228335 433997361 /nfs/dbraw/zinc/99/73/61/433997361.db2.gz AZVZFLKGLJIGTF-PCCBWWKXSA-N 2 1 324.468 3.015 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000422792849 434002912 /nfs/dbraw/zinc/00/29/12/434002912.db2.gz ZRDSRAKOLSMICL-UJWQCDCRSA-N 2 1 314.473 3.273 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422860026 434061068 /nfs/dbraw/zinc/06/10/68/434061068.db2.gz KYIIZXZNYXFBAF-FUHIMQAGSA-N 2 1 315.505 3.149 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414968543 293897918 /nfs/dbraw/zinc/89/79/18/293897918.db2.gz ILXKUSOYUFLBDC-ZDUSSCGKSA-N 2 1 318.795 3.419 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000414972165 293898625 /nfs/dbraw/zinc/89/86/25/293898625.db2.gz ACPQUBUWBRZLND-AWEZNQCLSA-N 2 1 320.458 3.163 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422866861 434066945 /nfs/dbraw/zinc/06/69/45/434066945.db2.gz RANQUCHXLUWQTD-OALUTQOASA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422866861 434066953 /nfs/dbraw/zinc/06/69/53/434066953.db2.gz RANQUCHXLUWQTD-OALUTQOASA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422866861 434066961 /nfs/dbraw/zinc/06/69/61/434066961.db2.gz RANQUCHXLUWQTD-OALUTQOASA-N 3 1 303.494 3.276 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422877376 434072131 /nfs/dbraw/zinc/07/21/31/434072131.db2.gz HWWHOUWOYNFIHW-JSJNYSNDSA-N 2 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422877376 434072140 /nfs/dbraw/zinc/07/21/40/434072140.db2.gz HWWHOUWOYNFIHW-JSJNYSNDSA-N 3 1 315.505 3.134 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422877376 434072146 /nfs/dbraw/zinc/07/21/46/434072146.db2.gz HWWHOUWOYNFIHW-JSJNYSNDSA-N 3 1 315.505 3.134 20 0 DGADMP CC[C@@H]([NH2+]CCc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422880587 434074626 /nfs/dbraw/zinc/07/46/26/434074626.db2.gz OPXHKVMJSIBCMS-MSOLQXFVSA-N 2 1 313.445 3.313 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422882580 434082406 /nfs/dbraw/zinc/08/24/06/434082406.db2.gz PEGNJKUNGSQGTP-SJORKVTESA-N 2 1 303.450 3.175 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCC[NH+](C)C)sc1Br ZINC000309472187 434094703 /nfs/dbraw/zinc/09/47/03/434094703.db2.gz RDXWHRPTTRMYTR-JTQLQIEISA-N 2 1 305.285 3.421 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)c1OC ZINC000285887248 434097248 /nfs/dbraw/zinc/09/72/48/434097248.db2.gz ZUXOPZYOUAUCLL-HNNXBMFYSA-N 2 1 308.466 3.393 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)c1OC ZINC000285887248 434097258 /nfs/dbraw/zinc/09/72/58/434097258.db2.gz ZUXOPZYOUAUCLL-HNNXBMFYSA-N 2 1 308.466 3.393 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422899379 434098208 /nfs/dbraw/zinc/09/82/08/434098208.db2.gz HIJIRNVVUZQIDI-CMPLNLGQSA-N 2 1 309.866 3.427 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851388 434049825 /nfs/dbraw/zinc/04/98/25/434049825.db2.gz OVEJOXSOROMAPE-DOTOQJQBSA-N 2 1 315.486 3.145 20 0 DGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851393 434050794 /nfs/dbraw/zinc/05/07/94/434050794.db2.gz OVEJOXSOROMAPE-WBVHZDCISA-N 2 1 315.486 3.145 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000340309641 434052502 /nfs/dbraw/zinc/05/25/02/434052502.db2.gz GTDZGSXUNQWCOE-OKZBNKHCSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000340309641 434052510 /nfs/dbraw/zinc/05/25/10/434052510.db2.gz GTDZGSXUNQWCOE-OKZBNKHCSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310275 434054229 /nfs/dbraw/zinc/05/42/29/434054229.db2.gz LILSFDABTJGOKM-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310275 434054239 /nfs/dbraw/zinc/05/42/39/434054239.db2.gz LILSFDABTJGOKM-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C1C[NH2+]C1 ZINC000422856790 434057176 /nfs/dbraw/zinc/05/71/76/434057176.db2.gz GNEXSMXHKDSRAG-LLVKDONJSA-N 2 1 313.426 3.254 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340316397 434057888 /nfs/dbraw/zinc/05/78/88/434057888.db2.gz RWGUMZDZBYGTDZ-XWSJACJDSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340316397 434057895 /nfs/dbraw/zinc/05/78/95/434057895.db2.gz RWGUMZDZBYGTDZ-XWSJACJDSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422855779 434058492 /nfs/dbraw/zinc/05/84/92/434058492.db2.gz FEAVOGHYAROQDX-UHFFFAOYSA-N 3 1 303.494 3.134 20 0 DGADMP CN(C)c1cccnc1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397821 434105706 /nfs/dbraw/zinc/10/57/06/434105706.db2.gz VYNXEMOSPPHEKC-YLJYHZDGSA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340397821 434105714 /nfs/dbraw/zinc/10/57/14/434105714.db2.gz VYNXEMOSPPHEKC-YLJYHZDGSA-N 2 1 324.472 3.073 20 0 DGADMP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000422919098 434106258 /nfs/dbraw/zinc/10/62/58/434106258.db2.gz JDXGCXSHZRAYGX-NIKGAXFTSA-N 2 1 316.420 3.061 20 0 DGADMP c1ccc(COc2ccccc2C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000309994403 434107001 /nfs/dbraw/zinc/10/70/01/434107001.db2.gz BEJCMOBVASBJQP-UHFFFAOYSA-N 2 1 310.441 3.497 20 0 DGADMP CCc1cccc2c(CC[NH2+][C@H](C)c3c[nH+]ccc3N)c[nH]c21 ZINC000422914598 434107567 /nfs/dbraw/zinc/10/75/67/434107567.db2.gz UXKYEBHPOLRXOD-CYBMUJFWSA-N 2 1 308.429 3.431 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000459476878 293978224 /nfs/dbraw/zinc/97/82/24/293978224.db2.gz HPSRCPBYEKNEEK-HKUYNNGSSA-N 2 1 300.446 3.123 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(C)C ZINC000310485337 434112854 /nfs/dbraw/zinc/11/28/54/434112854.db2.gz MRDHXEYIQYVMTP-UAFMIMERSA-N 2 1 316.489 3.158 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422936835 434125162 /nfs/dbraw/zinc/12/51/62/434125162.db2.gz CAVVIXIBECCTNZ-QLFBSQMISA-N 2 1 308.491 3.011 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000501429028 294140389 /nfs/dbraw/zinc/14/03/89/294140389.db2.gz WRTMIAZPPZLDTQ-UHFFFAOYSA-N 2 1 302.462 3.222 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2CC)C1 ZINC000502266852 294160607 /nfs/dbraw/zinc/16/06/07/294160607.db2.gz GOIIHAQJBCPMRW-INIZCTEOSA-N 2 1 304.478 3.421 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2CC)C1 ZINC000502266852 294160608 /nfs/dbraw/zinc/16/06/08/294160608.db2.gz GOIIHAQJBCPMRW-INIZCTEOSA-N 2 1 304.478 3.421 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2CC)C1 ZINC000502266852 294160611 /nfs/dbraw/zinc/16/06/11/294160611.db2.gz GOIIHAQJBCPMRW-INIZCTEOSA-N 2 1 304.478 3.421 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2CC)C1 ZINC000502266852 294160613 /nfs/dbraw/zinc/16/06/13/294160613.db2.gz GOIIHAQJBCPMRW-INIZCTEOSA-N 2 1 304.478 3.421 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2CC)C1 ZINC000502266853 294161097 /nfs/dbraw/zinc/16/10/97/294161097.db2.gz GOIIHAQJBCPMRW-MRXNPFEDSA-N 2 1 304.478 3.421 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2CC)C1 ZINC000502266853 294161101 /nfs/dbraw/zinc/16/11/01/294161101.db2.gz GOIIHAQJBCPMRW-MRXNPFEDSA-N 2 1 304.478 3.421 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2CC)C1 ZINC000502266853 294161105 /nfs/dbraw/zinc/16/11/05/294161105.db2.gz GOIIHAQJBCPMRW-MRXNPFEDSA-N 2 1 304.478 3.421 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2CC)C1 ZINC000502266853 294161109 /nfs/dbraw/zinc/16/11/09/294161109.db2.gz GOIIHAQJBCPMRW-MRXNPFEDSA-N 2 1 304.478 3.421 20 0 DGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422945238 434129319 /nfs/dbraw/zinc/12/93/19/434129319.db2.gz NDZIAKCWNFZRCV-DTWYCDNDSA-N 2 1 315.461 3.044 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000346123072 434129653 /nfs/dbraw/zinc/12/96/53/434129653.db2.gz PKMKIKJLHNEGKA-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP CN(Cc1conc1Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000507366739 294295773 /nfs/dbraw/zinc/29/57/73/294295773.db2.gz INWJJWTXMIKCQY-KRWDZBQOSA-N 2 1 313.445 3.039 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000509924668 294368736 /nfs/dbraw/zinc/36/87/36/294368736.db2.gz COFMBEAUTZAIGV-MLYXUHSOSA-N 2 1 314.473 3.453 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000509924668 294368739 /nfs/dbraw/zinc/36/87/39/294368739.db2.gz COFMBEAUTZAIGV-MLYXUHSOSA-N 2 1 314.473 3.453 20 0 DGADMP COc1cccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422947165 434132110 /nfs/dbraw/zinc/13/21/10/434132110.db2.gz PYFKWCAATPPHKT-JXFKEZNVSA-N 2 1 312.457 3.176 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457450 434138301 /nfs/dbraw/zinc/13/83/01/434138301.db2.gz WMXTYNGSGJJHIJ-YCPHGPKFSA-N 2 1 316.424 3.145 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340457450 434138308 /nfs/dbraw/zinc/13/83/08/434138308.db2.gz WMXTYNGSGJJHIJ-YCPHGPKFSA-N 2 1 316.424 3.145 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286044931 434143079 /nfs/dbraw/zinc/14/30/79/434143079.db2.gz JXIYWLFNEKTTIA-UHFFFAOYSA-N 2 1 312.461 3.251 20 0 DGADMP Cc1[nH]ncc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286044931 434143087 /nfs/dbraw/zinc/14/30/87/434143087.db2.gz JXIYWLFNEKTTIA-UHFFFAOYSA-N 2 1 312.461 3.251 20 0 DGADMP Cc1[nH]ncc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286044931 434143098 /nfs/dbraw/zinc/14/30/98/434143098.db2.gz JXIYWLFNEKTTIA-UHFFFAOYSA-N 2 1 312.461 3.251 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCO1 ZINC000422985036 434152240 /nfs/dbraw/zinc/15/22/40/434152240.db2.gz BUKLBCBWQXCPDV-RDGPPVDQSA-N 2 1 302.462 3.273 20 0 DGADMP CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422988128 434153649 /nfs/dbraw/zinc/15/36/49/434153649.db2.gz IGEXGBCFIYEIHW-JIARVOFWSA-N 2 1 308.510 3.196 20 0 DGADMP CC[C@@H](CCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340475292 434153717 /nfs/dbraw/zinc/15/37/17/434153717.db2.gz WWMLINHJMQZORE-VIQWUECVSA-N 2 1 304.478 3.180 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)COC4)CC[NH2+]2)cc1 ZINC000422986571 434154494 /nfs/dbraw/zinc/15/44/94/434154494.db2.gz CTKXYEBCIQKVSV-PMACEKPBSA-N 2 1 308.425 3.300 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353478655 434158494 /nfs/dbraw/zinc/15/84/94/434158494.db2.gz FQPJNWIOLFIHCP-QQFBHYJXSA-N 2 1 322.497 3.368 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353478655 434158509 /nfs/dbraw/zinc/15/85/09/434158509.db2.gz FQPJNWIOLFIHCP-QQFBHYJXSA-N 2 1 322.497 3.368 20 0 DGADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000340491078 434160571 /nfs/dbraw/zinc/16/05/71/434160571.db2.gz OFFHOQQXRRTWQO-NXEWRWPSSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423008889 434160998 /nfs/dbraw/zinc/16/09/98/434160998.db2.gz URHLWUCLSLOPED-JKSUJKDBSA-N 3 1 315.461 3.127 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423008889 434161004 /nfs/dbraw/zinc/16/10/04/434161004.db2.gz URHLWUCLSLOPED-JKSUJKDBSA-N 2 1 315.461 3.127 20 0 DGADMP CCC[C@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286106860 434165174 /nfs/dbraw/zinc/16/51/74/434165174.db2.gz UGSUSZIEWMDWFW-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450433894 434175106 /nfs/dbraw/zinc/17/51/06/434175106.db2.gz FQRPDRFVAHIHRR-MOPGFXCFSA-N 2 1 307.526 3.057 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H](C)c3c[nH+]ccc3N)CCC2)cc1 ZINC000423038736 434183963 /nfs/dbraw/zinc/18/39/63/434183963.db2.gz ZHOQPSLOTXWUFF-AWEZNQCLSA-N 2 1 311.429 3.275 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000363940437 434186817 /nfs/dbraw/zinc/18/68/17/434186817.db2.gz SYFMCYWLDAHZIT-LMMKCTJWSA-N 2 1 318.509 3.156 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423052795 434191351 /nfs/dbraw/zinc/19/13/51/434191351.db2.gz RESGJKWZKRKLLN-RTBURBONSA-N 2 1 314.404 3.374 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000316753340 434194202 /nfs/dbraw/zinc/19/42/02/434194202.db2.gz UMYCVXIPKFARNN-NNFUDEMPSA-N 2 1 300.446 3.078 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000316753340 434194209 /nfs/dbraw/zinc/19/42/09/434194209.db2.gz UMYCVXIPKFARNN-NNFUDEMPSA-N 2 1 300.446 3.078 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000353516545 434194738 /nfs/dbraw/zinc/19/47/38/434194738.db2.gz HFNYAKRYYKSTNG-MHJFOBGBSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061525 434197424 /nfs/dbraw/zinc/19/74/24/434197424.db2.gz RBMKZYOEVZTHMT-IUODEOHRSA-N 2 1 312.379 3.325 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462482 434198353 /nfs/dbraw/zinc/19/83/53/434198353.db2.gz GUURYMDLSLHPEE-MRXNPFEDSA-N 2 1 320.452 3.452 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462482 434198363 /nfs/dbraw/zinc/19/83/63/434198363.db2.gz GUURYMDLSLHPEE-MRXNPFEDSA-N 2 1 320.452 3.452 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462482 434198376 /nfs/dbraw/zinc/19/83/76/434198376.db2.gz GUURYMDLSLHPEE-MRXNPFEDSA-N 2 1 320.452 3.452 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450462482 434198384 /nfs/dbraw/zinc/19/83/84/434198384.db2.gz GUURYMDLSLHPEE-MRXNPFEDSA-N 2 1 320.452 3.452 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423066404 434204702 /nfs/dbraw/zinc/20/47/02/434204702.db2.gz WVPSRRYHJNRSTI-VAMGGRTRSA-N 3 1 315.505 3.147 20 0 DGADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423076785 434207782 /nfs/dbraw/zinc/20/77/82/434207782.db2.gz ZTDCVFVDVNHMPR-NUEKZKHPSA-N 2 1 314.429 3.452 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423099951 434217957 /nfs/dbraw/zinc/21/79/57/434217957.db2.gz FXBYQIMDLQQVEI-IXDOHACOSA-N 2 1 309.885 3.192 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000320534145 434240048 /nfs/dbraw/zinc/24/00/48/434240048.db2.gz OBONHGQGWZSUIQ-DZGCQCFKSA-N 2 1 322.415 3.341 20 0 DGADMP CCC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000295178913 434240757 /nfs/dbraw/zinc/24/07/57/434240757.db2.gz VJWYDJFBMJFBOV-NZSAHSFTSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378640866 434246650 /nfs/dbraw/zinc/24/66/50/434246650.db2.gz BQDARBUJGFWVSF-SFHVURJKSA-N 2 1 317.408 3.264 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378640866 434246656 /nfs/dbraw/zinc/24/66/56/434246656.db2.gz BQDARBUJGFWVSF-SFHVURJKSA-N 2 1 317.408 3.264 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000379616179 434256570 /nfs/dbraw/zinc/25/65/70/434256570.db2.gz BTDUOMMWZRNUSP-NZSAHSFTSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)O1 ZINC000379628945 434258088 /nfs/dbraw/zinc/25/80/88/434258088.db2.gz JGFMGYZYJGZBSP-OGWHTMIXSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)O1 ZINC000379628945 434258099 /nfs/dbraw/zinc/25/80/99/434258099.db2.gz JGFMGYZYJGZBSP-OGWHTMIXSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]([C@@H]1CCC[NH2+]1)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423163424 434258256 /nfs/dbraw/zinc/25/82/56/434258256.db2.gz RDTAEGLAKKZYND-UGSOOPFHSA-N 2 1 308.416 3.360 20 0 DGADMP COC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159882 434258414 /nfs/dbraw/zinc/25/84/14/434258414.db2.gz YPVJYCDBGBZXRW-UNEWFSDZSA-N 2 1 310.869 3.190 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCC2 ZINC000423166084 434258832 /nfs/dbraw/zinc/25/88/32/434258832.db2.gz CEQCMMUIXGUIDG-XWTMOSNGSA-N 2 1 300.446 3.027 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000423174871 434262450 /nfs/dbraw/zinc/26/24/50/434262450.db2.gz CLWJMBWFSRJIKT-CQSZACIVSA-N 2 1 304.434 3.160 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423170463 434263166 /nfs/dbraw/zinc/26/31/66/434263166.db2.gz MCEKLXAGPKRCIA-JDFRZJQESA-N 2 1 315.442 3.050 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000353602351 434263594 /nfs/dbraw/zinc/26/35/94/434263594.db2.gz DINLWNVAMPWJNG-UHFFFAOYSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181870 434265613 /nfs/dbraw/zinc/26/56/13/434265613.db2.gz DFXHQMYMJQIXRM-IFXJQAMLSA-N 2 1 313.420 3.224 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324237696 434270155 /nfs/dbraw/zinc/27/01/55/434270155.db2.gz YVMJSWHQRGLLRY-CALCHBBNSA-N 2 1 310.441 3.280 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000353563598 434228653 /nfs/dbraw/zinc/22/86/53/434228653.db2.gz FQMQDPGVMQFLPI-YJBOKZPZSA-N 2 1 310.457 3.092 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000353563598 434228661 /nfs/dbraw/zinc/22/86/61/434228661.db2.gz FQMQDPGVMQFLPI-YJBOKZPZSA-N 2 1 310.457 3.092 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353570671 434238239 /nfs/dbraw/zinc/23/82/39/434238239.db2.gz FITJEHBOZVRRDR-CQSZACIVSA-N 2 1 324.538 3.130 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353570671 434238249 /nfs/dbraw/zinc/23/82/49/434238249.db2.gz FITJEHBOZVRRDR-CQSZACIVSA-N 2 1 324.538 3.130 20 0 DGADMP OCCC[N@H+]1CCC[C@@H]1CNc1ccnc2c(Cl)cccc12 ZINC000450594876 434286039 /nfs/dbraw/zinc/28/60/39/434286039.db2.gz LLOUTDFXBMWYII-CYBMUJFWSA-N 2 1 319.836 3.147 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423207394 434286319 /nfs/dbraw/zinc/28/63/19/434286319.db2.gz GYOURWVJJBYQKZ-WDEREUQCSA-N 2 1 302.340 3.077 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000353631049 434288720 /nfs/dbraw/zinc/28/87/20/434288720.db2.gz ZIAFKSLJMMHEGB-LJQANCHMSA-N 2 1 301.478 3.130 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000384140551 434292577 /nfs/dbraw/zinc/29/25/77/434292577.db2.gz YXEIKELLOQTINQ-HXUWFJFHSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384582052 434294799 /nfs/dbraw/zinc/29/47/99/434294799.db2.gz KUROWIJDHSHDRN-JFRXWTBNSA-N 2 1 302.462 3.054 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)[C@H](C)C1 ZINC000358101660 434333661 /nfs/dbraw/zinc/33/36/61/434333661.db2.gz SVVPVPLBDWOEHW-ZYHUDNBSSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)[C@H](C)C1 ZINC000358101660 434333670 /nfs/dbraw/zinc/33/36/70/434333670.db2.gz SVVPVPLBDWOEHW-ZYHUDNBSSA-N 2 1 317.296 3.331 20 0 DGADMP CSCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000340690482 434304585 /nfs/dbraw/zinc/30/45/85/434304585.db2.gz GBBLLGLWWANREZ-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CSCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000340690482 434304593 /nfs/dbraw/zinc/30/45/93/434304593.db2.gz GBBLLGLWWANREZ-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CSCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000340690482 434304603 /nfs/dbraw/zinc/30/46/03/434304603.db2.gz GBBLLGLWWANREZ-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000423240669 434304807 /nfs/dbraw/zinc/30/48/07/434304807.db2.gz KVWOAWCTHJWWQE-OSGQAZFXSA-N 2 1 303.494 3.128 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@@H+]1Cc1ccccc1 ZINC000358064418 434311568 /nfs/dbraw/zinc/31/15/68/434311568.db2.gz QKTLJOZHQIKADI-RDJZCZTQSA-N 2 1 315.486 3.328 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@H+]1Cc1ccccc1 ZINC000358064418 434311578 /nfs/dbraw/zinc/31/15/78/434311578.db2.gz QKTLJOZHQIKADI-RDJZCZTQSA-N 2 1 315.486 3.328 20 0 DGADMP CCC(=O)CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000295329860 434314012 /nfs/dbraw/zinc/31/40/12/434314012.db2.gz OYPHOUYHDOOFQK-HXUWFJFHSA-N 2 1 314.473 3.344 20 0 DGADMP CCC(=O)CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295329860 434314025 /nfs/dbraw/zinc/31/40/25/434314025.db2.gz OYPHOUYHDOOFQK-HXUWFJFHSA-N 2 1 314.473 3.344 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423260612 434318255 /nfs/dbraw/zinc/31/82/55/434318255.db2.gz HRFJKLMBTGDXPG-HNAYVOBHSA-N 2 1 312.461 3.431 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423265452 434322471 /nfs/dbraw/zinc/32/24/71/434322471.db2.gz RCRBLJCIJDSCPF-PBHICJAKSA-N 2 1 320.481 3.241 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423265670 434323107 /nfs/dbraw/zinc/32/31/07/434323107.db2.gz RCRBLJCIJDSCPF-WMLDXEAASA-N 2 1 320.481 3.241 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423262433 434323621 /nfs/dbraw/zinc/32/36/21/434323621.db2.gz MMOZCCHJTWDZJC-LSTHTHJFSA-N 2 1 315.505 3.147 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000423268238 434324591 /nfs/dbraw/zinc/32/45/91/434324591.db2.gz UNHOBZISOSQRPO-SZMVWBNQSA-N 2 1 324.509 3.386 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c2ccccc21 ZINC000423268651 434328084 /nfs/dbraw/zinc/32/80/84/434328084.db2.gz UYOAGILHCMSGIC-BMGDILEWSA-N 2 1 318.461 3.131 20 0 DGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423270131 434328590 /nfs/dbraw/zinc/32/85/90/434328590.db2.gz GDCQQHLZYYQMLK-CABCVRRESA-N 2 1 309.251 3.153 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000358093476 434329972 /nfs/dbraw/zinc/32/99/72/434329972.db2.gz ZXOVIWUAHYPCBY-VBHSOAQHSA-N 2 1 301.409 3.490 20 0 DGADMP CSC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423190467 434278020 /nfs/dbraw/zinc/27/80/20/434278020.db2.gz SJXLSIOMFCGCER-CQSZACIVSA-N 2 1 318.408 3.451 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)C1CC1 ZINC000423320760 434361914 /nfs/dbraw/zinc/36/19/14/434361914.db2.gz MPQCWPQZUQMXRJ-MFKMUULPSA-N 2 1 315.280 3.289 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390590519 434362345 /nfs/dbraw/zinc/36/23/45/434362345.db2.gz RXDNLDICPFMEDG-AQNXPRMDSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390590519 434362355 /nfs/dbraw/zinc/36/23/55/434362355.db2.gz RXDNLDICPFMEDG-AQNXPRMDSA-N 2 1 316.489 3.446 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000366221345 434362856 /nfs/dbraw/zinc/36/28/56/434362856.db2.gz JBBWECWJQUJGBR-MOPGFXCFSA-N 2 1 304.478 3.159 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000353745244 434391546 /nfs/dbraw/zinc/39/15/46/434391546.db2.gz IBZXOOCTZIXBOZ-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000353745244 434391555 /nfs/dbraw/zinc/39/15/55/434391555.db2.gz IBZXOOCTZIXBOZ-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1OC ZINC000353745244 434391565 /nfs/dbraw/zinc/39/15/65/434391565.db2.gz IBZXOOCTZIXBOZ-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1OC ZINC000353745244 434391574 /nfs/dbraw/zinc/39/15/74/434391574.db2.gz IBZXOOCTZIXBOZ-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390811948 434371352 /nfs/dbraw/zinc/37/13/52/434371352.db2.gz WPHKMYGBUGOJOJ-DZGCQCFKSA-N 2 1 300.368 3.439 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000423370477 434383394 /nfs/dbraw/zinc/38/33/94/434383394.db2.gz GTWBAKQALZNQRV-GLQYFDAESA-N 2 1 316.367 3.123 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000423369653 434384176 /nfs/dbraw/zinc/38/41/76/434384176.db2.gz GCBKXTUQVDEJBW-CKYFFXLPSA-N 2 1 315.230 3.379 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000353745245 434390056 /nfs/dbraw/zinc/39/00/56/434390056.db2.gz IBZXOOCTZIXBOZ-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000353745245 434390068 /nfs/dbraw/zinc/39/00/68/434390068.db2.gz IBZXOOCTZIXBOZ-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)ccc1OC ZINC000353745245 434390080 /nfs/dbraw/zinc/39/00/80/434390080.db2.gz IBZXOOCTZIXBOZ-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1OC ZINC000353745245 434390088 /nfs/dbraw/zinc/39/00/88/434390088.db2.gz IBZXOOCTZIXBOZ-WBVHZDCISA-N 2 1 320.477 3.399 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423277813 434335507 /nfs/dbraw/zinc/33/55/07/434335507.db2.gz OYWDXGMOXYHWNQ-FGTMMUONSA-N 2 1 306.494 3.236 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358122026 434339065 /nfs/dbraw/zinc/33/90/65/434339065.db2.gz FFNCAQNLTSOEBH-CABCVRRESA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358122026 434339076 /nfs/dbraw/zinc/33/90/76/434339076.db2.gz FFNCAQNLTSOEBH-CABCVRRESA-N 2 1 310.388 3.047 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423281234 434340199 /nfs/dbraw/zinc/34/01/99/434340199.db2.gz AZQLFKWMYRNLAJ-LLVKDONJSA-N 2 1 315.280 3.313 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423283484 434340551 /nfs/dbraw/zinc/34/05/51/434340551.db2.gz FHDMTZIVLPHTCV-LBPRGKRZSA-N 2 1 303.475 3.430 20 0 DGADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423305980 434353505 /nfs/dbraw/zinc/35/35/05/434353505.db2.gz CYXOGZDYCIQIEX-VAMGGRTRSA-N 2 1 315.505 3.019 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc2)c1 ZINC000423315459 434356427 /nfs/dbraw/zinc/35/64/27/434356427.db2.gz ISXYUZLXEMSQCI-VQTJNVASSA-N 2 1 310.441 3.306 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000353749231 434393979 /nfs/dbraw/zinc/39/39/79/434393979.db2.gz VDULXAZEVXTDQC-QFBILLFUSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000353749231 434393988 /nfs/dbraw/zinc/39/39/88/434393988.db2.gz VDULXAZEVXTDQC-QFBILLFUSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000353749231 434394002 /nfs/dbraw/zinc/39/40/02/434394002.db2.gz VDULXAZEVXTDQC-QFBILLFUSA-N 2 1 312.461 3.177 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1Br ZINC000423391814 434400679 /nfs/dbraw/zinc/40/06/79/434400679.db2.gz LBOPKDDSOIRQIQ-CQDKDKBSSA-N 2 1 311.267 3.488 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752282 434401240 /nfs/dbraw/zinc/40/12/40/434401240.db2.gz RWDKNXGFSDZOJE-DGCLKSJQSA-N 2 1 300.368 3.409 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000423397513 434401475 /nfs/dbraw/zinc/40/14/75/434401475.db2.gz TULAENCGEHQYDT-DRZSPHRISA-N 2 1 306.841 3.147 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)C1 ZINC000358659496 434402531 /nfs/dbraw/zinc/40/25/31/434402531.db2.gz FMGUCVYYEYDKOK-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[N@H+]1C1CC1 ZINC000423391326 434402844 /nfs/dbraw/zinc/40/28/44/434402844.db2.gz KUOHHJHRWFMYNY-DJKXOVBDSA-N 2 1 309.457 3.054 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)c(OC)c1 ZINC000295942805 434448018 /nfs/dbraw/zinc/44/80/18/434448018.db2.gz LPLNOTKHHLVCFK-NPYXIHBLSA-N 2 1 318.461 3.370 20 0 DGADMP COC[C@]1(C[NH2+][C@H](C)c2cc3ccccc3s2)CCC[NH2+]1 ZINC000423409279 434410862 /nfs/dbraw/zinc/41/08/62/434410862.db2.gz BOLKIMADTBVPEF-CXAGYDPISA-N 2 1 304.459 3.321 20 0 DGADMP Cc1cnccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295551188 434411146 /nfs/dbraw/zinc/41/11/46/434411146.db2.gz YIMVFNSVKZUPGX-XLIONFOSSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000395121353 434411799 /nfs/dbraw/zinc/41/17/99/434411799.db2.gz KPPVFFNYKABIAX-HNNXBMFYSA-N 2 1 311.267 3.331 20 0 DGADMP CCCC[C@H](CC)CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000438112129 434414199 /nfs/dbraw/zinc/41/41/99/434414199.db2.gz DPVFVOODLYQFBW-RBUKOAKNSA-N 2 1 309.542 3.305 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1c1ccccc1 ZINC000423429253 434418742 /nfs/dbraw/zinc/41/87/42/434418742.db2.gz SEDAVWNHOXNSBN-HNBVOPMISA-N 3 1 315.505 3.177 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1c1ccccc1 ZINC000423429253 434418750 /nfs/dbraw/zinc/41/87/50/434418750.db2.gz SEDAVWNHOXNSBN-HNBVOPMISA-N 3 1 315.505 3.177 20 0 DGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(SCC(F)(F)F)cc1 ZINC000423437806 434422870 /nfs/dbraw/zinc/42/28/70/434422870.db2.gz QSQRVBGJEFNPED-OLRMPSLUSA-N 2 1 316.392 3.209 20 0 DGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423436594 434424197 /nfs/dbraw/zinc/42/41/97/434424197.db2.gz PXIXVZJOZLCDEY-NALNUFGESA-N 2 1 312.388 3.486 20 0 DGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OCc2ccccc2)c1 ZINC000423447561 434427009 /nfs/dbraw/zinc/42/70/09/434427009.db2.gz ZQCCTXWTRRBZGT-VVHHDAOASA-N 2 1 308.425 3.134 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423464203 434435830 /nfs/dbraw/zinc/43/58/30/434435830.db2.gz LYBPCAZKSIBKBK-BPUTZDHNSA-N 2 1 324.440 3.162 20 0 DGADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000397493829 434438215 /nfs/dbraw/zinc/43/82/15/434438215.db2.gz NVZVEVJMVDZXEZ-PXNSSMCTSA-N 2 1 315.505 3.019 20 0 DGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000423500084 434458834 /nfs/dbraw/zinc/45/88/34/434458834.db2.gz KBWHVFWEBKKGTJ-IAGOWNOFSA-N 2 1 304.434 3.031 20 0 DGADMP C[NH+](C)C1(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000438348759 434463333 /nfs/dbraw/zinc/46/33/33/434463333.db2.gz YUPYCHWAZOWAJD-UHFFFAOYSA-N 2 1 317.521 3.219 20 0 DGADMP CC(C)[C@@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C(C)C)COC1 ZINC000359991607 434465050 /nfs/dbraw/zinc/46/50/50/434465050.db2.gz JCIBDQZPNMVBJQ-ROUUACIJSA-N 2 1 308.510 3.244 20 0 DGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423527393 434474499 /nfs/dbraw/zinc/47/44/99/434474499.db2.gz VSYUECBLBJXIMX-VQIMIIECSA-N 2 1 320.477 3.141 20 0 DGADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000423522284 434475149 /nfs/dbraw/zinc/47/51/49/434475149.db2.gz UMXDBZKARPGQLS-ACBHZAAOSA-N 2 1 307.526 3.151 20 0 DGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000423529582 434477202 /nfs/dbraw/zinc/47/72/02/434477202.db2.gz ORSVDRFVALELGL-LEWJYISDSA-N 2 1 321.468 3.001 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)s1 ZINC000423533981 434479185 /nfs/dbraw/zinc/47/91/85/434479185.db2.gz ZBINYCGGADYRPI-VIFPVBQESA-N 2 1 303.269 3.303 20 0 DGADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CCCC1 ZINC000423534509 434482435 /nfs/dbraw/zinc/48/24/35/434482435.db2.gz WHFYJLCGDDBMKK-QGZVFWFLSA-N 2 1 323.431 3.041 20 0 DGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423533719 434482501 /nfs/dbraw/zinc/48/25/01/434482501.db2.gz UGRXWJXVLIJELZ-UIAACRFSSA-N 2 1 312.432 3.492 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cc1 ZINC000402110219 434497235 /nfs/dbraw/zinc/49/72/35/434497235.db2.gz ANLAUQIJORQFSJ-IBGZPJMESA-N 2 1 316.489 3.100 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423487169 434450905 /nfs/dbraw/zinc/45/09/05/434450905.db2.gz VHUOMQBKPSNQIZ-VXGBXAGGSA-N 2 1 300.418 3.304 20 0 DGADMP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423493452 434453643 /nfs/dbraw/zinc/45/36/43/434453643.db2.gz QBTUFNYNCXZOHA-SJORKVTESA-N 2 1 308.441 3.271 20 0 DGADMP Clc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423491083 434455551 /nfs/dbraw/zinc/45/55/51/434455551.db2.gz JBTAQVLKFWLZLU-SJORKVTESA-N 2 1 308.853 3.149 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000404381363 434512137 /nfs/dbraw/zinc/51/21/37/434512137.db2.gz ULNUTYOSFKZQOE-SUMWQHHRSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000404381363 434512142 /nfs/dbraw/zinc/51/21/42/434512142.db2.gz ULNUTYOSFKZQOE-SUMWQHHRSA-N 2 1 317.408 3.430 20 0 DGADMP CCn1cncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000417792807 434523606 /nfs/dbraw/zinc/52/36/06/434523606.db2.gz YZNKDKUQQMLBGV-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP CC(C)n1cc(CN[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405959254 434525498 /nfs/dbraw/zinc/52/54/98/434525498.db2.gz MEZSDSNZNPRHBK-IBGZPJMESA-N 2 1 312.461 3.218 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000353932963 434530991 /nfs/dbraw/zinc/53/09/91/434530991.db2.gz UHSVJVDMJZEVCO-OWSLCNJRSA-N 2 1 324.509 3.066 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360163147 434539100 /nfs/dbraw/zinc/53/91/00/434539100.db2.gz AXAJXGONUSHTEL-UHFFFAOYSA-N 2 1 320.525 3.467 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000353947072 434540167 /nfs/dbraw/zinc/54/01/67/434540167.db2.gz LANZPANGZNQXEU-CRAIPNDOSA-N 2 1 304.482 3.036 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000360183278 434540352 /nfs/dbraw/zinc/54/03/52/434540352.db2.gz ZPTYSDWNMWMHOS-UHFFFAOYSA-N 2 1 324.538 3.201 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417935875 434553979 /nfs/dbraw/zinc/55/39/79/434553979.db2.gz RPOPTLDSWYSQRB-YJBOKZPZSA-N 2 1 302.462 3.369 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360244092 434558643 /nfs/dbraw/zinc/55/86/43/434558643.db2.gz ZIJXXAXBWHWQAP-FUHWJXTLSA-N 2 1 322.880 3.154 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000525274934 295009011 /nfs/dbraw/zinc/00/90/11/295009011.db2.gz UDEBUCMFGOXYLG-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000525274934 295009014 /nfs/dbraw/zinc/00/90/14/295009014.db2.gz UDEBUCMFGOXYLG-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000525977560 295047069 /nfs/dbraw/zinc/04/70/69/295047069.db2.gz WIPXCFOYFUANBO-IAGOWNOFSA-N 2 1 324.509 3.162 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527229792 295085552 /nfs/dbraw/zinc/08/55/52/295085552.db2.gz WJCFSFGRRIFTPJ-UHFFFAOYSA-N 2 1 312.404 3.215 20 0 DGADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)cc(C(F)(F)F)c1 ZINC000527649840 295109782 /nfs/dbraw/zinc/10/97/82/295109782.db2.gz LJMYAHWLKXPBGW-UHFFFAOYSA-N 2 1 313.323 3.009 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527797051 295132296 /nfs/dbraw/zinc/13/22/96/295132296.db2.gz CARLZAXFSZZJAN-HOTGVXAUSA-N 2 1 315.436 3.374 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC12CC2 ZINC000527894384 295146533 /nfs/dbraw/zinc/14/65/33/295146533.db2.gz GZSJLCULISRJHP-WDSOQIARSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC12CC2 ZINC000527894384 295146534 /nfs/dbraw/zinc/14/65/34/295146534.db2.gz GZSJLCULISRJHP-WDSOQIARSA-N 2 1 314.473 3.056 20 0 DGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000528368007 295204199 /nfs/dbraw/zinc/20/41/99/295204199.db2.gz MNYSDADCWIOSEO-IBGZPJMESA-N 2 1 322.468 3.188 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401129 295209191 /nfs/dbraw/zinc/20/91/91/295209191.db2.gz VSVRZHRQBXHYDT-PKOBYXMFSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401129 295209192 /nfs/dbraw/zinc/20/91/92/295209192.db2.gz VSVRZHRQBXHYDT-PKOBYXMFSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401129 295209193 /nfs/dbraw/zinc/20/91/93/295209193.db2.gz VSVRZHRQBXHYDT-PKOBYXMFSA-N 2 1 322.468 3.047 20 0 DGADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000423342753 295249877 /nfs/dbraw/zinc/24/98/77/295249877.db2.gz VPFCDCLRPQXDDD-MOPGFXCFSA-N 2 1 314.473 3.453 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420378928 295390171 /nfs/dbraw/zinc/39/01/71/295390171.db2.gz UTKOHTFIAAXZMW-RYRKJORJSA-N 2 1 302.462 3.468 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000354100625 434618228 /nfs/dbraw/zinc/61/82/28/434618228.db2.gz OGFGHCYGAYRWAX-JZXOWHBKSA-N 2 1 320.477 3.336 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000360583432 434642211 /nfs/dbraw/zinc/64/22/11/434642211.db2.gz RYGPVIJQBMGFPV-OQIJWPOYSA-N 2 1 302.462 3.084 20 0 DGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424322390 434695916 /nfs/dbraw/zinc/69/59/16/434695916.db2.gz JRPYZBKUQQMQBV-LSDHHAIUSA-N 2 1 312.498 3.064 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3C=CCCC3)CC2)CC1 ZINC000371158252 434646734 /nfs/dbraw/zinc/64/67/34/434646734.db2.gz RINWAQXIZLQNQP-LJQANCHMSA-N 2 1 319.537 3.223 20 0 DGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1C=CCCC1 ZINC000371158252 434646744 /nfs/dbraw/zinc/64/67/44/434646744.db2.gz RINWAQXIZLQNQP-LJQANCHMSA-N 3 1 319.537 3.223 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1C=CCCC1 ZINC000371158252 434646752 /nfs/dbraw/zinc/64/67/52/434646752.db2.gz RINWAQXIZLQNQP-LJQANCHMSA-N 3 1 319.537 3.223 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000360606286 434649444 /nfs/dbraw/zinc/64/94/44/434649444.db2.gz BMEWZBJJHRTJCP-INIZCTEOSA-N 2 1 319.424 3.063 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167542 434653291 /nfs/dbraw/zinc/65/32/91/434653291.db2.gz RHIIZPHMLYZFPI-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167542 434653297 /nfs/dbraw/zinc/65/32/97/434653297.db2.gz RHIIZPHMLYZFPI-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167542 434653305 /nfs/dbraw/zinc/65/33/05/434653305.db2.gz RHIIZPHMLYZFPI-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167542 434653312 /nfs/dbraw/zinc/65/33/12/434653312.db2.gz RHIIZPHMLYZFPI-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179080 434658193 /nfs/dbraw/zinc/65/81/93/434658193.db2.gz ZLTLEZWGYRLFCE-HXUWFJFHSA-N 2 1 314.473 3.393 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179080 434658201 /nfs/dbraw/zinc/65/82/01/434658201.db2.gz ZLTLEZWGYRLFCE-HXUWFJFHSA-N 2 1 314.473 3.393 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179080 434658208 /nfs/dbraw/zinc/65/82/08/434658208.db2.gz ZLTLEZWGYRLFCE-HXUWFJFHSA-N 2 1 314.473 3.393 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179080 434658214 /nfs/dbraw/zinc/65/82/14/434658214.db2.gz ZLTLEZWGYRLFCE-HXUWFJFHSA-N 2 1 314.473 3.393 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000354179862 434659655 /nfs/dbraw/zinc/65/96/55/434659655.db2.gz FVMDXQWCMZXGDB-INECWFNRSA-N 2 1 324.509 3.208 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000354179862 434659662 /nfs/dbraw/zinc/65/96/62/434659662.db2.gz FVMDXQWCMZXGDB-INECWFNRSA-N 2 1 324.509 3.208 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000424272677 434670835 /nfs/dbraw/zinc/67/08/35/434670835.db2.gz UPGCITJANXUHOX-CHWSQXEVSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000424272677 434670846 /nfs/dbraw/zinc/67/08/46/434670846.db2.gz UPGCITJANXUHOX-CHWSQXEVSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000424272680 434673373 /nfs/dbraw/zinc/67/33/73/434673373.db2.gz UPGCITJANXUHOX-STQMWFEESA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000424272680 434673381 /nfs/dbraw/zinc/67/33/81/434673381.db2.gz UPGCITJANXUHOX-STQMWFEESA-N 2 1 308.853 3.484 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2cc(C)cn2)C[C@@H]1C ZINC000354225953 434678638 /nfs/dbraw/zinc/67/86/38/434678638.db2.gz ZUFCHTRVCKPNAK-ROUUACIJSA-N 2 1 306.498 3.166 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2cc(C)cn2)C[C@@H]1C ZINC000354225953 434678645 /nfs/dbraw/zinc/67/86/45/434678645.db2.gz ZUFCHTRVCKPNAK-ROUUACIJSA-N 2 1 306.498 3.166 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223935 434679168 /nfs/dbraw/zinc/67/91/68/434679168.db2.gz MAUWRAICXQVXMB-WMZOPIPTSA-N 2 1 317.477 3.047 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729737 434679632 /nfs/dbraw/zinc/67/96/32/434679632.db2.gz DNTUNFYHYPBXKK-FUHWJXTLSA-N 2 1 304.478 3.338 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000424289803 434679863 /nfs/dbraw/zinc/67/98/63/434679863.db2.gz CHWZBNYDUFIIHH-RTBURBONSA-N 2 1 311.429 3.020 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000459730240 434679808 /nfs/dbraw/zinc/67/98/08/434679808.db2.gz KBFXYHKZPTXQAW-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459730520 434681120 /nfs/dbraw/zinc/68/11/20/434681120.db2.gz KMENTHIRAVMYEN-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424298093 434682641 /nfs/dbraw/zinc/68/26/41/434682641.db2.gz TWXILZYOSWFQKU-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424301595 434685450 /nfs/dbraw/zinc/68/54/50/434685450.db2.gz XTDHOYPMYUVUTQ-INIZCTEOSA-N 2 1 302.462 3.438 20 0 DGADMP CCOC(=O)CC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411223088 434747652 /nfs/dbraw/zinc/74/76/52/434747652.db2.gz HJKSUTNSTAWOOV-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440491350 434706009 /nfs/dbraw/zinc/70/60/09/434706009.db2.gz WHLFQLGAXAIADK-UHFFFAOYSA-N 2 1 301.438 3.017 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440491350 434706012 /nfs/dbraw/zinc/70/60/12/434706012.db2.gz WHLFQLGAXAIADK-UHFFFAOYSA-N 2 1 301.438 3.017 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000371465342 434708732 /nfs/dbraw/zinc/70/87/32/434708732.db2.gz CCTSSAIWQCRONT-VAMGGRTRSA-N 2 1 316.489 3.295 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccccc1)CC[NH2+]CC2 ZINC000424369885 434714387 /nfs/dbraw/zinc/71/43/87/434714387.db2.gz BTRCGAFSCHBHTC-OAHLLOKOSA-N 2 1 310.445 3.041 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000424382858 434716832 /nfs/dbraw/zinc/71/68/32/434716832.db2.gz TUCXULRCHOUSQG-CHWSQXEVSA-N 2 1 314.376 3.046 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782659 434718514 /nfs/dbraw/zinc/71/85/14/434718514.db2.gz MTPVPVSFOYWWHP-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360933282 434736248 /nfs/dbraw/zinc/73/62/48/434736248.db2.gz LXVXAYWPYMBYCN-JYBIWHBTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360933282 434736255 /nfs/dbraw/zinc/73/62/55/434736255.db2.gz LXVXAYWPYMBYCN-JYBIWHBTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442634735 434769806 /nfs/dbraw/zinc/76/98/06/434769806.db2.gz HRZWADQCOWYIGR-JKSUJKDBSA-N 2 1 311.473 3.489 20 0 DGADMP OCCCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411285317 434756150 /nfs/dbraw/zinc/75/61/50/434756150.db2.gz RAIJLWZLMVTFBB-UHFFFAOYSA-N 2 1 316.489 3.409 20 0 DGADMP c1nn2ccccc2c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000371832298 434756270 /nfs/dbraw/zinc/75/62/70/434756270.db2.gz KBWSIWUHCIZDNU-UHFFFAOYSA-N 2 1 312.461 3.221 20 0 DGADMP c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH+]1CCCCC1 ZINC000411295619 434758162 /nfs/dbraw/zinc/75/81/62/434758162.db2.gz DVGSEYVRCHDWNC-KDURUIRLSA-N 2 1 300.446 3.036 20 0 DGADMP c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH+]1CCCCC1 ZINC000411295619 434758167 /nfs/dbraw/zinc/75/81/67/434758167.db2.gz DVGSEYVRCHDWNC-KDURUIRLSA-N 2 1 300.446 3.036 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371848075 434759407 /nfs/dbraw/zinc/75/94/07/434759407.db2.gz XSGLSPPEGRLQJD-RBUKOAKNSA-N 2 1 309.542 3.303 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]C2CCC3(CCCCC3)CC2)CC1(C)C ZINC000441351083 434764950 /nfs/dbraw/zinc/76/49/50/434764950.db2.gz ITCGUZIBCCYYIT-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCC2)o1 ZINC000442874779 434774488 /nfs/dbraw/zinc/77/44/88/434774488.db2.gz NUAFEGWAWDPDJJ-GOSISDBHSA-N 2 1 319.493 3.045 20 0 DGADMP C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411405441 434775722 /nfs/dbraw/zinc/77/57/22/434775722.db2.gz ZJQMIKXPHDREFH-PXNSSMCTSA-N 2 1 316.489 3.408 20 0 DGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[C@@H]1O ZINC000411409982 434776050 /nfs/dbraw/zinc/77/60/50/434776050.db2.gz VCYXETASGBDBIL-UXHICEINSA-N 2 1 316.489 3.265 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000411426323 434778489 /nfs/dbraw/zinc/77/84/89/434778489.db2.gz PLBZPFPXVBQVNQ-HXUWFJFHSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000411426323 434778492 /nfs/dbraw/zinc/77/84/92/434778492.db2.gz PLBZPFPXVBQVNQ-HXUWFJFHSA-N 2 1 314.473 3.283 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453054127 434784435 /nfs/dbraw/zinc/78/44/35/434784435.db2.gz AGZDBOKTDIKGRO-AABGKKOBSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC[N@@H+]1C ZINC000290267644 297287252 /nfs/dbraw/zinc/28/72/52/297287252.db2.gz VWVKYRMFPYBMOD-HHXXYDBFSA-N 2 1 314.473 3.153 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC[N@H+]1C ZINC000290267644 297287255 /nfs/dbraw/zinc/28/72/55/297287255.db2.gz VWVKYRMFPYBMOD-HHXXYDBFSA-N 2 1 314.473 3.153 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000411519883 434792849 /nfs/dbraw/zinc/79/28/49/434792849.db2.gz UHAKRASJVFVNLD-JKSUJKDBSA-N 2 1 317.477 3.141 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000411519883 434792854 /nfs/dbraw/zinc/79/28/54/434792854.db2.gz UHAKRASJVFVNLD-JKSUJKDBSA-N 2 1 317.477 3.141 20 0 DGADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453120520 434807946 /nfs/dbraw/zinc/80/79/46/434807946.db2.gz NOOBUXKGDWFFKK-MDNKFWRPSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453137530 434813901 /nfs/dbraw/zinc/81/39/01/434813901.db2.gz GWHOSJMFNFIEHB-VAMGGRTRSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453137530 434813904 /nfs/dbraw/zinc/81/39/04/434813904.db2.gz GWHOSJMFNFIEHB-VAMGGRTRSA-N 2 1 324.472 3.251 20 0 DGADMP c1cnn([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)c1 ZINC000411742987 434825141 /nfs/dbraw/zinc/82/51/41/434825141.db2.gz HSDMFWLAYCFFMF-HXUWFJFHSA-N 2 1 324.472 3.316 20 0 DGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000411870787 434838198 /nfs/dbraw/zinc/83/81/98/434838198.db2.gz KQXFOCILYQADBX-UHFFFAOYSA-N 2 1 323.868 3.133 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453272366 434845791 /nfs/dbraw/zinc/84/57/91/434845791.db2.gz URWJZCZZNMYZBV-BFQNTYOBSA-N 2 1 314.832 3.176 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000462114526 434900381 /nfs/dbraw/zinc/90/03/81/434900381.db2.gz WVKWECQHWUEQOM-UKRRQHHQSA-N 2 1 322.415 3.056 20 0 DGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115246 434900515 /nfs/dbraw/zinc/90/05/15/434900515.db2.gz FCPHSGUGFNYWIB-IHPCNDPISA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115246 434900517 /nfs/dbraw/zinc/90/05/17/434900517.db2.gz FCPHSGUGFNYWIB-IHPCNDPISA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412080426 434864433 /nfs/dbraw/zinc/86/44/33/434864433.db2.gz LQQXGYUYTKSZNX-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412080420 434864488 /nfs/dbraw/zinc/86/44/88/434864488.db2.gz LQQXGYUYTKSZNX-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000552893125 434873638 /nfs/dbraw/zinc/87/36/38/434873638.db2.gz MMDGNEQYNIGVGH-WFASDCNBSA-N 2 1 316.367 3.014 20 0 DGADMP C[N@@H+](CCC[C@@H]1CCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067748 434944285 /nfs/dbraw/zinc/94/42/85/434944285.db2.gz UKLWFZOEYOADLY-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@@H]1CCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067748 434944288 /nfs/dbraw/zinc/94/42/88/434944288.db2.gz UKLWFZOEYOADLY-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@@H]1CCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067748 434944291 /nfs/dbraw/zinc/94/42/91/434944291.db2.gz UKLWFZOEYOADLY-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638122612 434957408 /nfs/dbraw/zinc/95/74/08/434957408.db2.gz LIEKDPYTDKSVCP-OALUTQOASA-N 2 1 315.505 3.177 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000555415539 434972635 /nfs/dbraw/zinc/97/26/35/434972635.db2.gz ZMXQYEYDSZJQST-OQIJWPOYSA-N 2 1 308.510 3.386 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638370950 435015441 /nfs/dbraw/zinc/01/54/41/435015441.db2.gz HLKUNHUNLUAUDH-IEBWSBKVSA-N 2 1 302.462 3.371 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638370950 435015447 /nfs/dbraw/zinc/01/54/47/435015447.db2.gz HLKUNHUNLUAUDH-IEBWSBKVSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000638377329 435018103 /nfs/dbraw/zinc/01/81/03/435018103.db2.gz HMDHXFWVQQTYBQ-YJBOKZPZSA-N 2 1 304.503 3.443 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)c1 ZINC000638448352 435033677 /nfs/dbraw/zinc/03/36/77/435033677.db2.gz TZXWABYFXLZTHF-CVEARBPZSA-N 2 1 308.491 3.119 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)c1 ZINC000638448352 435033681 /nfs/dbraw/zinc/03/36/81/435033681.db2.gz TZXWABYFXLZTHF-CVEARBPZSA-N 2 1 308.491 3.119 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)cc1F ZINC000638418563 435027908 /nfs/dbraw/zinc/02/79/08/435027908.db2.gz BOKSUZBDRGQJKB-GWCFXTLKSA-N 2 1 309.335 3.453 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638447354 435032492 /nfs/dbraw/zinc/03/24/92/435032492.db2.gz CUYSTCUGNVVCNF-HKUYNNGSSA-N 2 1 316.489 3.495 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638447354 435032495 /nfs/dbraw/zinc/03/24/95/435032495.db2.gz CUYSTCUGNVVCNF-HKUYNNGSSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000524728177 434986607 /nfs/dbraw/zinc/98/66/07/434986607.db2.gz YDJMTFUHFYSNTA-BRWVUGGUSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000574629869 434991143 /nfs/dbraw/zinc/99/11/43/434991143.db2.gz AHMQNMUHCSCQDO-IEBWSBKVSA-N 2 1 303.494 3.017 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000524980139 434999690 /nfs/dbraw/zinc/99/96/90/434999690.db2.gz MCNZHNSLRUUHQC-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000464784570 435000419 /nfs/dbraw/zinc/00/04/19/435000419.db2.gz ZBCWZRRJIFZDRG-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000464784570 435000423 /nfs/dbraw/zinc/00/04/23/435000423.db2.gz ZBCWZRRJIFZDRG-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCOC1CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638302411 435000741 /nfs/dbraw/zinc/00/07/41/435000741.db2.gz UXGLXRIGFXLGJE-UHFFFAOYSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[N@H+]3CCCC[C@@H]3C2)c2ccccn21 ZINC000556270804 435003579 /nfs/dbraw/zinc/00/35/79/435003579.db2.gz SFULEPRGUDVVMM-MRXNPFEDSA-N 2 1 312.461 3.128 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)C2CCCCC2)CC1 ZINC000638360913 435011540 /nfs/dbraw/zinc/01/15/40/435011540.db2.gz WVCCQQVXGNDSFB-GOSISDBHSA-N 2 1 309.542 3.210 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638680046 435069733 /nfs/dbraw/zinc/06/97/33/435069733.db2.gz VDSRJQXWWPOVKP-ZTTFOMCMSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638680046 435069741 /nfs/dbraw/zinc/06/97/41/435069741.db2.gz VDSRJQXWWPOVKP-ZTTFOMCMSA-N 2 1 316.489 3.351 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000531140923 435074653 /nfs/dbraw/zinc/07/46/53/435074653.db2.gz RRMUBRBSUDXIMQ-UHFFFAOYSA-N 2 1 324.852 3.375 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000531140923 435074657 /nfs/dbraw/zinc/07/46/57/435074657.db2.gz RRMUBRBSUDXIMQ-UHFFFAOYSA-N 2 1 324.852 3.375 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(OC)c2)C[C@H]1C ZINC000531140229 435074870 /nfs/dbraw/zinc/07/48/70/435074870.db2.gz KNIVKIOMPQXGPL-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(OC)c2)C[C@H]1C ZINC000531140229 435074876 /nfs/dbraw/zinc/07/48/76/435074876.db2.gz KNIVKIOMPQXGPL-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(OC)c2)C[C@H]1C ZINC000531140229 435074880 /nfs/dbraw/zinc/07/48/80/435074880.db2.gz KNIVKIOMPQXGPL-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H](CC[NH2+]C1CC(n2cccn2)C1)[N@@H+](C)Cc1ccccc1 ZINC000638723601 435078373 /nfs/dbraw/zinc/07/83/73/435078373.db2.gz QGACXLRCSHJQGL-IPJUCJBFSA-N 2 1 312.461 3.087 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000531343515 435086640 /nfs/dbraw/zinc/08/66/40/435086640.db2.gz AYPZMGKTKCEFNA-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765966 435086817 /nfs/dbraw/zinc/08/68/17/435086817.db2.gz MSRZSCCPWAPEQF-NEWSRXKRSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765966 435086820 /nfs/dbraw/zinc/08/68/20/435086820.db2.gz MSRZSCCPWAPEQF-NEWSRXKRSA-N 2 1 302.462 3.105 20 0 DGADMP CO[C@H](C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638797707 435089765 /nfs/dbraw/zinc/08/97/65/435089765.db2.gz VNBCLMXOIQZYCC-ILZDJORESA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000556914843 435037943 /nfs/dbraw/zinc/03/79/43/435037943.db2.gz JYZAYCLOQKFICA-AQNXPRMDSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000638478461 435039954 /nfs/dbraw/zinc/03/99/54/435039954.db2.gz ATAXEJIAVKMQJW-YXJHDRRASA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000638478461 435039957 /nfs/dbraw/zinc/03/99/57/435039957.db2.gz ATAXEJIAVKMQJW-YXJHDRRASA-N 2 1 302.462 3.104 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638486422 435040967 /nfs/dbraw/zinc/04/09/67/435040967.db2.gz SKNPAJPUGPMNRX-SZVBFZGTSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638486422 435040971 /nfs/dbraw/zinc/04/09/71/435040971.db2.gz SKNPAJPUGPMNRX-SZVBFZGTSA-N 2 1 302.462 3.369 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474473123 435148820 /nfs/dbraw/zinc/14/88/20/435148820.db2.gz DZPYWRGEFMWIGE-LSDHHAIUSA-N 2 1 312.885 3.390 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc(C)c1F ZINC000532226230 435149132 /nfs/dbraw/zinc/14/91/32/435149132.db2.gz NIFMXVHLJZMYDA-AEFFLSMTSA-N 2 1 322.468 3.186 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000558623121 435102060 /nfs/dbraw/zinc/10/20/60/435102060.db2.gz RNOBTTUMGCDAIT-RTBURBONSA-N 2 1 314.473 3.057 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638849124 435102365 /nfs/dbraw/zinc/10/23/65/435102365.db2.gz QCOKBEWKFLPYDR-BHIYHBOVSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638849124 435102368 /nfs/dbraw/zinc/10/23/68/435102368.db2.gz QCOKBEWKFLPYDR-BHIYHBOVSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638849127 435103044 /nfs/dbraw/zinc/10/30/44/435103044.db2.gz QCOKBEWKFLPYDR-QXAKKESOSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638849127 435103048 /nfs/dbraw/zinc/10/30/48/435103048.db2.gz QCOKBEWKFLPYDR-QXAKKESOSA-N 2 1 302.462 3.105 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000531704436 435111628 /nfs/dbraw/zinc/11/16/28/435111628.db2.gz BWONPXSPHBCTFF-HXUWFJFHSA-N 2 1 315.505 3.145 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C)c2)[C@@H](C)C1 ZINC000532220111 435149882 /nfs/dbraw/zinc/14/98/82/435149882.db2.gz XEMYPEMHEXNRMA-AZUAARDMSA-N 2 1 318.505 3.264 20 0 DGADMP C[NH+]1CCN([C@H](C[NH2+]C2CCCCCC2)c2cccs2)CC1 ZINC000531931978 435127063 /nfs/dbraw/zinc/12/70/63/435127063.db2.gz COGIPZQNFMGIRA-QGZVFWFLSA-N 2 1 321.534 3.349 20 0 DGADMP COc1ccc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000579022756 435127361 /nfs/dbraw/zinc/12/73/61/435127361.db2.gz YFGZPZOTACHUKZ-UHFFFAOYSA-N 2 1 313.445 3.241 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000531945364 435128970 /nfs/dbraw/zinc/12/89/70/435128970.db2.gz KKITWAWAOBGDKY-LPHOPBHVSA-N 2 1 304.478 3.336 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000559505832 435133655 /nfs/dbraw/zinc/13/36/55/435133655.db2.gz MKAWVHZDTRIYKG-OAHLLOKOSA-N 2 1 324.415 3.452 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000559795058 435139530 /nfs/dbraw/zinc/13/95/30/435139530.db2.gz HUXIGWQPZYRELL-ZCNNSNEGSA-N 2 1 319.537 3.366 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559846514 435141075 /nfs/dbraw/zinc/14/10/75/435141075.db2.gz ZFZZHTSMZJFIDI-MSOLQXFVSA-N 2 1 304.478 3.353 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559846514 435141078 /nfs/dbraw/zinc/14/10/78/435141078.db2.gz ZFZZHTSMZJFIDI-MSOLQXFVSA-N 2 1 304.478 3.353 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639184323 435188959 /nfs/dbraw/zinc/18/89/59/435188959.db2.gz BVYJSHODBQDENO-NSHGMRRFSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639184323 435188963 /nfs/dbraw/zinc/18/89/63/435188963.db2.gz BVYJSHODBQDENO-NSHGMRRFSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639184321 435190086 /nfs/dbraw/zinc/19/00/86/435190086.db2.gz BVYJSHODBQDENO-CMKODMSKSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639184321 435190089 /nfs/dbraw/zinc/19/00/89/435190089.db2.gz BVYJSHODBQDENO-CMKODMSKSA-N 2 1 316.489 3.209 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1)CC1CC1 ZINC000475328260 435191577 /nfs/dbraw/zinc/19/15/77/435191577.db2.gz HJJAFWSTDKMXKI-QFBILLFUSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000494644200 435197776 /nfs/dbraw/zinc/19/77/76/435197776.db2.gz ZMYVMWDZENOVFS-MJGOQNOKSA-N 2 1 316.489 3.338 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC(C)(C)Oc3ccccc3)C2)C1 ZINC000639208495 435198551 /nfs/dbraw/zinc/19/85/51/435198551.db2.gz WKLDVSZWVNDAMZ-LJQANCHMSA-N 2 1 302.462 3.262 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]CC2(O)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000580063979 435202173 /nfs/dbraw/zinc/20/21/73/435202173.db2.gz DJOGNXJZULASDG-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP Cc1nocc1CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639227398 435203998 /nfs/dbraw/zinc/20/39/98/435203998.db2.gz MDWLBVBZXPDOCQ-PKOBYXMFSA-N 2 1 311.429 3.441 20 0 DGADMP Cc1nocc1C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639227398 435204001 /nfs/dbraw/zinc/20/40/01/435204001.db2.gz MDWLBVBZXPDOCQ-PKOBYXMFSA-N 2 1 311.429 3.441 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025393 435204536 /nfs/dbraw/zinc/20/45/36/435204536.db2.gz IHXXUCDPIRBTOM-RTBURBONSA-N 2 1 322.456 3.060 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532249280 435152224 /nfs/dbraw/zinc/15/22/24/435152224.db2.gz USWBSPXMCZDUAO-DTTOXWODSA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249280 435152228 /nfs/dbraw/zinc/15/22/28/435152228.db2.gz USWBSPXMCZDUAO-DTTOXWODSA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249280 435152232 /nfs/dbraw/zinc/15/22/32/435152232.db2.gz USWBSPXMCZDUAO-DTTOXWODSA-N 2 1 323.912 3.261 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCSCC2)CC1 ZINC000639110303 435157677 /nfs/dbraw/zinc/15/76/77/435157677.db2.gz NOCIQAMHADSSBG-UHFFFAOYSA-N 2 1 306.475 3.376 20 0 DGADMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)sn1 ZINC000639114307 435160396 /nfs/dbraw/zinc/16/03/96/435160396.db2.gz HOKATWYSZODSAW-UHFFFAOYSA-N 2 1 316.474 3.364 20 0 DGADMP Nc1c(F)cccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639119240 435161835 /nfs/dbraw/zinc/16/18/35/435161835.db2.gz WAXCDQZTIPDFSO-MRXNPFEDSA-N 2 1 313.420 3.020 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCOC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000474875046 435164814 /nfs/dbraw/zinc/16/48/14/435164814.db2.gz DANIQLYYBXKBCV-JYBIWHBTSA-N 2 1 316.489 3.302 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(N)ccc2O1 ZINC000579581236 435165704 /nfs/dbraw/zinc/16/57/04/435165704.db2.gz YYZYXYAVSMWEOA-QGZVFWFLSA-N 2 1 315.461 3.087 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000532455493 435167052 /nfs/dbraw/zinc/16/70/52/435167052.db2.gz WIJFKKGDZKVIFY-FRQCXROJSA-N 2 1 304.478 3.335 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000579647798 435171542 /nfs/dbraw/zinc/17/15/42/435171542.db2.gz VYBYKJYMPVANIW-AEFFLSMTSA-N 2 1 314.473 3.316 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C(C)C)C3CC3)CCCC2)CC1 ZINC000532513154 435171773 /nfs/dbraw/zinc/17/17/73/435171773.db2.gz LXEQOKPAVLGAQP-SFHVURJKSA-N 2 1 308.510 3.434 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC000639142238 435172718 /nfs/dbraw/zinc/17/27/18/435172718.db2.gz WJSZHERIYGPVAX-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC000639142238 435172723 /nfs/dbraw/zinc/17/27/23/435172723.db2.gz WJSZHERIYGPVAX-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000532524382 435173230 /nfs/dbraw/zinc/17/32/30/435173230.db2.gz CJZURLFTXORJIS-UXLLHSPISA-N 2 1 317.477 3.093 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000532524382 435173235 /nfs/dbraw/zinc/17/32/35/435173235.db2.gz CJZURLFTXORJIS-UXLLHSPISA-N 2 1 317.477 3.093 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639177298 435182901 /nfs/dbraw/zinc/18/29/01/435182901.db2.gz RKLRLRFONUGQRO-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)ccc1Br ZINC000580311324 435220483 /nfs/dbraw/zinc/22/04/83/435220483.db2.gz HRUKIXRSAYREHV-DTWKUNHWSA-N 2 1 305.647 3.318 20 0 DGADMP COc1cccc(C)c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000639287017 435226630 /nfs/dbraw/zinc/22/66/30/435226630.db2.gz WQEWLOZBVGQQHT-QUCCMNQESA-N 2 1 324.468 3.439 20 0 DGADMP COc1cccc(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000639287017 435226637 /nfs/dbraw/zinc/22/66/37/435226637.db2.gz WQEWLOZBVGQQHT-QUCCMNQESA-N 2 1 324.468 3.439 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000639287886 435227673 /nfs/dbraw/zinc/22/76/73/435227673.db2.gz OOKPOZDBHPQNPJ-NWGLXNPWSA-N 2 1 300.446 3.122 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000639287886 435227678 /nfs/dbraw/zinc/22/76/78/435227678.db2.gz OOKPOZDBHPQNPJ-NWGLXNPWSA-N 2 1 300.446 3.122 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639299576 435236626 /nfs/dbraw/zinc/23/66/26/435236626.db2.gz RWSDHBMDFXOWQS-IEBWSBKVSA-N 2 1 314.473 3.371 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639299576 435236629 /nfs/dbraw/zinc/23/66/29/435236629.db2.gz RWSDHBMDFXOWQS-IEBWSBKVSA-N 2 1 314.473 3.371 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000562040926 435249046 /nfs/dbraw/zinc/24/90/46/435249046.db2.gz GDLWXFWDZNKMNH-ZNMIVQPWSA-N 2 1 322.415 3.341 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000562040926 435249049 /nfs/dbraw/zinc/24/90/49/435249049.db2.gz GDLWXFWDZNKMNH-ZNMIVQPWSA-N 2 1 322.415 3.341 20 0 DGADMP Cn1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc2ccccc21 ZINC000639336550 435250193 /nfs/dbraw/zinc/25/01/93/435250193.db2.gz CTLDQCMWBGMWHJ-KRWDZBQOSA-N 2 1 311.473 3.390 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn21 ZINC000583876268 435251016 /nfs/dbraw/zinc/25/10/16/435251016.db2.gz LJMQHMKDECPMHD-HUUCEWRRSA-N 2 1 300.450 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn21 ZINC000583876268 435251020 /nfs/dbraw/zinc/25/10/20/435251020.db2.gz LJMQHMKDECPMHD-HUUCEWRRSA-N 2 1 300.450 3.030 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330065 435246900 /nfs/dbraw/zinc/24/69/00/435246900.db2.gz QLZUQLYXASDOFL-UHIISALHSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330064 435247171 /nfs/dbraw/zinc/24/71/71/435247171.db2.gz QLZUQLYXASDOFL-SUNKGSAMSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000534064522 435265679 /nfs/dbraw/zinc/26/56/79/435265679.db2.gz TVIJBCGTILBDPI-APAFKAMOSA-N 2 1 320.521 3.292 20 0 DGADMP Cc1ccc(CCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000639375517 435272267 /nfs/dbraw/zinc/27/22/67/435272267.db2.gz WSHTZYCPVYFZCI-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCCC(C)C ZINC000567176085 435294988 /nfs/dbraw/zinc/29/49/88/435294988.db2.gz CZRGIWPGJUHRGN-RDJZCZTQSA-N 2 1 320.477 3.432 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCCC(C)C ZINC000567176085 435294992 /nfs/dbraw/zinc/29/49/92/435294992.db2.gz CZRGIWPGJUHRGN-RDJZCZTQSA-N 2 1 320.477 3.432 20 0 DGADMP CCC[N@H+]1CC[C@H](CNCc2cc3cc(Cl)cnc3o2)C1 ZINC000648433230 435296289 /nfs/dbraw/zinc/29/62/89/435296289.db2.gz PZTFDYUZKMJMAW-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648433230 435296294 /nfs/dbraw/zinc/29/62/94/435296294.db2.gz PZTFDYUZKMJMAW-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648433230 435296300 /nfs/dbraw/zinc/29/63/00/435296300.db2.gz PZTFDYUZKMJMAW-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP O=c1[nH]cccc1CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354855 435260742 /nfs/dbraw/zinc/26/07/42/435260742.db2.gz QSAGCCAVXLKJFN-PKOBYXMFSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354855 435260745 /nfs/dbraw/zinc/26/07/45/435260745.db2.gz QSAGCCAVXLKJFN-PKOBYXMFSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354855 435260749 /nfs/dbraw/zinc/26/07/49/435260749.db2.gz QSAGCCAVXLKJFN-PKOBYXMFSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354855 435260754 /nfs/dbraw/zinc/26/07/54/435260754.db2.gz QSAGCCAVXLKJFN-PKOBYXMFSA-N 2 1 323.440 3.245 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639355748 435261444 /nfs/dbraw/zinc/26/14/44/435261444.db2.gz BUMGAUIGFKCPTE-SMMRIJLZSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639355748 435261450 /nfs/dbraw/zinc/26/14/50/435261450.db2.gz BUMGAUIGFKCPTE-SMMRIJLZSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359985 435261875 /nfs/dbraw/zinc/26/18/75/435261875.db2.gz RYHKYSAPYDWZJY-IMFGXOCKSA-N 2 1 316.489 3.159 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCCC23CCCC3)CC1(C)C ZINC000567401130 435315292 /nfs/dbraw/zinc/31/52/92/435315292.db2.gz NJLATACOVCDGPP-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567523865 435326980 /nfs/dbraw/zinc/32/69/80/435326980.db2.gz SGMFLJIBCQJMQS-AABGKKOBSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567523865 435326983 /nfs/dbraw/zinc/32/69/83/435326983.db2.gz SGMFLJIBCQJMQS-AABGKKOBSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523865 435326989 /nfs/dbraw/zinc/32/69/89/435326989.db2.gz SGMFLJIBCQJMQS-AABGKKOBSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523865 435326994 /nfs/dbraw/zinc/32/69/94/435326994.db2.gz SGMFLJIBCQJMQS-AABGKKOBSA-N 2 1 316.489 3.018 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000643461180 435329753 /nfs/dbraw/zinc/32/97/53/435329753.db2.gz MRUIJIYQOZJFFI-KBRIMQKVSA-N 2 1 305.466 3.200 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000567582328 435331638 /nfs/dbraw/zinc/33/16/38/435331638.db2.gz BINWXVCPBATYDT-MISYRCLQSA-N 2 1 316.489 3.005 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000567582328 435331640 /nfs/dbraw/zinc/33/16/40/435331640.db2.gz BINWXVCPBATYDT-MISYRCLQSA-N 2 1 316.489 3.005 20 0 DGADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000643467496 435332980 /nfs/dbraw/zinc/33/29/80/435332980.db2.gz MWUSWUZDMRKQTN-BDJLRTHQSA-N 2 1 305.809 3.186 20 0 DGADMP c1ccc2c(c1)CCC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C2 ZINC000643498312 435337655 /nfs/dbraw/zinc/33/76/55/435337655.db2.gz VSXYLBLFLSDMKZ-FQEVSTJZSA-N 2 1 309.457 3.099 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Br ZINC000643521676 435342001 /nfs/dbraw/zinc/34/20/01/435342001.db2.gz ULHRBAOMDJVRSA-PWSUYJOCSA-N 2 1 315.230 3.381 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567871517 435365219 /nfs/dbraw/zinc/36/52/19/435365219.db2.gz MCNPQFKSRPNBHJ-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567871517 435365225 /nfs/dbraw/zinc/36/52/25/435365225.db2.gz MCNPQFKSRPNBHJ-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547917 435348223 /nfs/dbraw/zinc/34/82/23/435348223.db2.gz KUWISIGHVIUTMN-JKSUJKDBSA-N 2 1 308.853 3.292 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548033 435348589 /nfs/dbraw/zinc/34/85/89/435348589.db2.gz MBGVFUIDMVTBDA-NVXWUHKLSA-N 2 1 300.446 3.473 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C2CCCC2)c1 ZINC000643547342 435348847 /nfs/dbraw/zinc/34/88/47/435348847.db2.gz DBJQSIBBMRNVCZ-HOCLYGCPSA-N 2 1 302.466 3.324 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1N(C)C ZINC000643545872 435349703 /nfs/dbraw/zinc/34/97/03/435349703.db2.gz DTJWZCSPGUPSDC-DZGCQCFKSA-N 2 1 305.441 3.217 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643547376 435350203 /nfs/dbraw/zinc/35/02/03/435350203.db2.gz DQDKDXMDMQEQIV-PBHICJAKSA-N 2 1 316.445 3.173 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)(C)C ZINC000643547625 435350353 /nfs/dbraw/zinc/35/03/53/435350353.db2.gz IIYSSJIFIVJZGE-UKRRQHHQSA-N 2 1 304.482 3.272 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccnn1-c1ccccc1 ZINC000643549069 435352744 /nfs/dbraw/zinc/35/27/44/435352744.db2.gz ZWMSEWQRAYFVLA-HZPDHXFCSA-N 2 1 310.445 3.198 20 0 DGADMP CC(=O)Nc1ccccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535811485 435357669 /nfs/dbraw/zinc/35/76/69/435357669.db2.gz SMLVQVVWEVHYBP-UHFFFAOYSA-N 2 1 317.477 3.197 20 0 DGADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000479951682 435358937 /nfs/dbraw/zinc/35/89/37/435358937.db2.gz AZUHYTMLUXFVDD-OKILXGFUSA-N 2 1 302.418 3.205 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000567864785 435362542 /nfs/dbraw/zinc/36/25/42/435362542.db2.gz PZSRUYUSDLXEQF-GOSISDBHSA-N 2 1 310.441 3.436 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000535052886 435311149 /nfs/dbraw/zinc/31/11/49/435311149.db2.gz SDPNSWCKHCXROH-QZTJIDSGSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000535052886 435311154 /nfs/dbraw/zinc/31/11/54/435311154.db2.gz SDPNSWCKHCXROH-QZTJIDSGSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000535052886 435311159 /nfs/dbraw/zinc/31/11/59/435311159.db2.gz SDPNSWCKHCXROH-QZTJIDSGSA-N 2 1 302.462 3.186 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000648731406 435401940 /nfs/dbraw/zinc/40/19/40/435401940.db2.gz VGIHHGPPAQXJMQ-AWEZNQCLSA-N 2 1 314.433 3.097 20 0 DGADMP CCCCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000481017473 435405814 /nfs/dbraw/zinc/40/58/14/435405814.db2.gz CYQQLTOGTQZLGF-QFBILLFUSA-N 2 1 304.478 3.137 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756637 435408852 /nfs/dbraw/zinc/40/88/52/435408852.db2.gz ZVTJALATAGODTQ-UHFFFAOYSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC000639755464 435408999 /nfs/dbraw/zinc/40/89/99/435408999.db2.gz LZSJCLQVYBMTJG-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3nsc4ccccc43)C2)CC1 ZINC000639755393 435409243 /nfs/dbraw/zinc/40/92/43/435409243.db2.gz JOMULQFHCAJJNY-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237756 435411209 /nfs/dbraw/zinc/41/12/09/435411209.db2.gz FJKQXYDAPCQAQE-RHSMWYFYSA-N 2 1 317.433 3.436 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237756 435411214 /nfs/dbraw/zinc/41/12/14/435411214.db2.gz FJKQXYDAPCQAQE-RHSMWYFYSA-N 2 1 317.433 3.436 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCO[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000536836230 435412907 /nfs/dbraw/zinc/41/29/07/435412907.db2.gz VTXXZPDOYFYXCN-JFRXWTBNSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000481317515 435418274 /nfs/dbraw/zinc/41/82/74/435418274.db2.gz PMRRIRNFEQKKOM-MAUKXSAKSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000481317515 435418278 /nfs/dbraw/zinc/41/82/78/435418278.db2.gz PMRRIRNFEQKKOM-MAUKXSAKSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]c3c(O)cccc23)CC[N@H+](C2CCC2)C1 ZINC000644146092 435419250 /nfs/dbraw/zinc/41/92/50/435419250.db2.gz FFEISINUEFJRQM-AWEZNQCLSA-N 2 1 311.429 3.251 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCOC2)CC1)CC(C)C ZINC000536888043 435419258 /nfs/dbraw/zinc/41/92/58/435419258.db2.gz LGAQCQRDNYTKGO-LJQANCHMSA-N 2 1 310.526 3.493 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000536998286 435422521 /nfs/dbraw/zinc/42/25/21/435422521.db2.gz NCYNIQIPKWGBOA-DYVFJYSZSA-N 2 1 317.433 3.162 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCO[C@H]3C)C2)s1 ZINC000639632471 435374232 /nfs/dbraw/zinc/37/42/32/435374232.db2.gz BDAODZXRFIJIKH-GVDBMIGSSA-N 2 1 322.518 3.235 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000513116539 435376679 /nfs/dbraw/zinc/37/66/79/435376679.db2.gz HEDIEXXQGLDUGE-IHPCNDPISA-N 2 1 315.505 3.286 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000513116539 435376685 /nfs/dbraw/zinc/37/66/85/435376685.db2.gz HEDIEXXQGLDUGE-IHPCNDPISA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000513116539 435376689 /nfs/dbraw/zinc/37/66/89/435376689.db2.gz HEDIEXXQGLDUGE-IHPCNDPISA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000513116539 435376691 /nfs/dbraw/zinc/37/66/91/435376691.db2.gz HEDIEXXQGLDUGE-IHPCNDPISA-N 2 1 315.505 3.286 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000643895265 435379464 /nfs/dbraw/zinc/37/94/64/435379464.db2.gz WNSSFRNMTXRVOW-QGZVFWFLSA-N 2 1 302.462 3.146 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000568062034 435385488 /nfs/dbraw/zinc/38/54/88/435385488.db2.gz AXBYBCFWCDUYAB-AEFFLSMTSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513511938 435392235 /nfs/dbraw/zinc/39/22/35/435392235.db2.gz MACYVYNAWJDEHD-PKOBYXMFSA-N 2 1 309.457 3.472 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000513513381 435392268 /nfs/dbraw/zinc/39/22/68/435392268.db2.gz SDRRGCNEIPWODP-PKOBYXMFSA-N 2 1 309.457 3.472 20 0 DGADMP CCCc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639682229 435392389 /nfs/dbraw/zinc/39/23/89/435392389.db2.gz OFPVERGXLFKHKR-UHFFFAOYSA-N 2 1 316.474 3.203 20 0 DGADMP C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000536662890 435397524 /nfs/dbraw/zinc/39/75/24/435397524.db2.gz GMFFBLGCMBJVLB-IRXDYDNUSA-N 2 1 315.505 3.447 20 0 DGADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000482736582 435481412 /nfs/dbraw/zinc/48/14/12/435481412.db2.gz VOASOGVUEZOVAO-UXHICEINSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000482736582 435481419 /nfs/dbraw/zinc/48/14/19/435481419.db2.gz VOASOGVUEZOVAO-UXHICEINSA-N 2 1 318.505 3.237 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644547066 435453585 /nfs/dbraw/zinc/45/35/85/435453585.db2.gz IJHLZYSHBYMJGI-GHTZIAJQSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644547066 435453593 /nfs/dbraw/zinc/45/35/93/435453593.db2.gz IJHLZYSHBYMJGI-GHTZIAJQSA-N 2 1 324.468 3.065 20 0 DGADMP C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1c[nH+]ccc1N ZINC000568740645 435465612 /nfs/dbraw/zinc/46/56/12/435465612.db2.gz PWNUXFIBCDOIRR-SJKOYZFVSA-N 2 1 318.852 3.101 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482457890 435467134 /nfs/dbraw/zinc/46/71/34/435467134.db2.gz KRMPMOPOMQUPLM-PMACEKPBSA-N 2 1 318.505 3.202 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000537966899 435474612 /nfs/dbraw/zinc/47/46/12/435474612.db2.gz JTUGEYJGTJNRPO-PBHICJAKSA-N 2 1 310.869 3.429 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000537955575 435475185 /nfs/dbraw/zinc/47/51/85/435475185.db2.gz CMPIZFOGZKVWJR-OTBWCIGPSA-N 2 1 324.509 3.207 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000644646290 435475998 /nfs/dbraw/zinc/47/59/98/435475998.db2.gz LDPMASYPHHGGAO-IBGZPJMESA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000644646290 435476003 /nfs/dbraw/zinc/47/60/03/435476003.db2.gz LDPMASYPHHGGAO-IBGZPJMESA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000537983588 435478371 /nfs/dbraw/zinc/47/83/71/435478371.db2.gz QGDPASZKZWVCKG-CRAIPNDOSA-N 2 1 304.478 3.293 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657449 435479476 /nfs/dbraw/zinc/47/94/76/435479476.db2.gz RNKGGIBEZJSGMJ-PKOBYXMFSA-N 2 1 304.478 3.204 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657449 435479481 /nfs/dbraw/zinc/47/94/81/435479481.db2.gz RNKGGIBEZJSGMJ-PKOBYXMFSA-N 2 1 304.478 3.204 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OC ZINC000644411862 435439031 /nfs/dbraw/zinc/43/90/31/435439031.db2.gz FEQLCCYIJBEODP-CABCVRRESA-N 2 1 308.466 3.160 20 0 DGADMP c1ccc([C@H](C[NH+]2CC[C@H]3C[C@H]3C2)C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000639861818 435440431 /nfs/dbraw/zinc/44/04/31/435440431.db2.gz VIOSKJBQWLULSF-JCUFNKLESA-N 2 1 310.485 3.454 20 0 DGADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3C[C@@H]3C2)C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000639861818 435440435 /nfs/dbraw/zinc/44/04/35/435440435.db2.gz VIOSKJBQWLULSF-JCUFNKLESA-N 2 1 310.485 3.454 20 0 DGADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3C[C@@H]3C2)C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000639861818 435440439 /nfs/dbraw/zinc/44/04/39/435440439.db2.gz VIOSKJBQWLULSF-JCUFNKLESA-N 2 1 310.485 3.454 20 0 DGADMP C[C@@H]([NH2+]CCN1CCC2(CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000514854820 435444039 /nfs/dbraw/zinc/44/40/39/435444039.db2.gz UEHJXQHYKYVZCJ-MSOLQXFVSA-N 2 1 307.526 3.010 20 0 DGADMP COC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000483251654 435506348 /nfs/dbraw/zinc/50/63/48/435506348.db2.gz SPLLBCYQEXJMCO-WMZOPIPTSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000483251654 435506352 /nfs/dbraw/zinc/50/63/52/435506352.db2.gz SPLLBCYQEXJMCO-WMZOPIPTSA-N 2 1 306.494 3.284 20 0 DGADMP COC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000483251654 435506356 /nfs/dbraw/zinc/50/63/56/435506356.db2.gz SPLLBCYQEXJMCO-WMZOPIPTSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)C2(CCCCC2)C1 ZINC000515864985 435506868 /nfs/dbraw/zinc/50/68/68/435506868.db2.gz SQJXWMBLQYBOJU-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000515864985 435506878 /nfs/dbraw/zinc/50/68/78/435506878.db2.gz SQJXWMBLQYBOJU-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000515864985 435506882 /nfs/dbraw/zinc/50/68/82/435506882.db2.gz SQJXWMBLQYBOJU-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000515992693 435509331 /nfs/dbraw/zinc/50/93/31/435509331.db2.gz YPRDBOGCKPJIOC-NXOAAHMSSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000515992693 435509333 /nfs/dbraw/zinc/50/93/33/435509333.db2.gz YPRDBOGCKPJIOC-NXOAAHMSSA-N 2 1 312.498 3.064 20 0 DGADMP C[N@@H+](CCOc1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000538781760 435523851 /nfs/dbraw/zinc/52/38/51/435523851.db2.gz WDXPBMSHPIKMEA-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(F)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000538781760 435523854 /nfs/dbraw/zinc/52/38/54/435523854.db2.gz WDXPBMSHPIKMEA-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(F)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000538781760 435523858 /nfs/dbraw/zinc/52/38/58/435523858.db2.gz WDXPBMSHPIKMEA-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000483713788 435528833 /nfs/dbraw/zinc/52/88/33/435528833.db2.gz OUOURCIFAXUUAM-VYDXJSESSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000483713788 435528835 /nfs/dbraw/zinc/52/88/35/435528835.db2.gz OUOURCIFAXUUAM-VYDXJSESSA-N 2 1 321.896 3.239 20 0 DGADMP CC(C)CC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482736582 435481423 /nfs/dbraw/zinc/48/14/23/435481423.db2.gz VOASOGVUEZOVAO-UXHICEINSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000482736583 435481782 /nfs/dbraw/zinc/48/17/82/435481782.db2.gz VOASOGVUEZOVAO-VQTJNVASSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000482736583 435481787 /nfs/dbraw/zinc/48/17/87/435481787.db2.gz VOASOGVUEZOVAO-VQTJNVASSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482736583 435481794 /nfs/dbraw/zinc/48/17/94/435481794.db2.gz VOASOGVUEZOVAO-VQTJNVASSA-N 2 1 318.505 3.237 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CCCc2ccncc2)CC1 ZINC000639986735 435482094 /nfs/dbraw/zinc/48/20/94/435482094.db2.gz QMPUHBGTBMUHJO-UHFFFAOYSA-N 2 1 301.478 3.355 20 0 DGADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CCCC2)c1 ZINC000482823593 435483992 /nfs/dbraw/zinc/48/39/92/435483992.db2.gz SOXUGCKBYBYRDL-QFBILLFUSA-N 2 1 316.489 3.437 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCOC1 ZINC000482891595 435485090 /nfs/dbraw/zinc/48/50/90/435485090.db2.gz XKRITGJLLACLDC-QRVBRYPASA-N 2 1 308.510 3.436 20 0 DGADMP CCC1([NH+](C)C)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000640015478 435491122 /nfs/dbraw/zinc/49/11/22/435491122.db2.gz JXLFQHJCKWHTOB-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000538405788 435497698 /nfs/dbraw/zinc/49/76/98/435497698.db2.gz FBDCWXVTPXVVML-TVFCKZIOSA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000538405788 435497705 /nfs/dbraw/zinc/49/77/05/435497705.db2.gz FBDCWXVTPXVVML-TVFCKZIOSA-N 2 1 308.510 3.290 20 0 DGADMP c1ccc(CCCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484794718 435554394 /nfs/dbraw/zinc/55/43/94/435554394.db2.gz SGQZMIDHPSBNKZ-VAMGGRTRSA-N 2 1 316.489 3.146 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649288331 435557110 /nfs/dbraw/zinc/55/71/10/435557110.db2.gz KROCYFCLKFVGMB-OAHLLOKOSA-N 2 1 317.477 3.375 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724152 435557137 /nfs/dbraw/zinc/55/71/37/435557137.db2.gz ZMLXFPMVTGMESM-LAUBAEHRSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724152 435557141 /nfs/dbraw/zinc/55/71/41/435557141.db2.gz ZMLXFPMVTGMESM-LAUBAEHRSA-N 2 1 323.484 3.146 20 0 DGADMP CCc1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc[nH+]1 ZINC000649287746 435557726 /nfs/dbraw/zinc/55/77/26/435557726.db2.gz NHNYMFVGXXXTQV-SFHVURJKSA-N 2 1 306.413 3.195 20 0 DGADMP Cc1cccc(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000569963603 435575247 /nfs/dbraw/zinc/57/52/47/435575247.db2.gz FFIVBEFVABTXFP-HXUWFJFHSA-N 2 1 323.484 3.386 20 0 DGADMP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCc1cncn1C ZINC000569985740 435577341 /nfs/dbraw/zinc/57/73/41/435577341.db2.gz RNBHWCQXDKLCRS-KBPBESRZSA-N 2 1 301.409 3.500 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649411864 435580833 /nfs/dbraw/zinc/58/08/33/435580833.db2.gz KSFVPKOOQWHINF-ICSRJNTNSA-N 3 1 321.553 3.353 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411864 435580834 /nfs/dbraw/zinc/58/08/34/435580834.db2.gz KSFVPKOOQWHINF-ICSRJNTNSA-N 3 1 321.553 3.353 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411864 435580837 /nfs/dbraw/zinc/58/08/37/435580837.db2.gz KSFVPKOOQWHINF-ICSRJNTNSA-N 3 1 321.553 3.353 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)CC[C@H]1[NH3+] ZINC000649417026 435583144 /nfs/dbraw/zinc/58/31/44/435583144.db2.gz UVNSTDQGURYPJQ-IEBWSBKVSA-N 2 1 312.461 3.048 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC(C)C ZINC000540197839 435593808 /nfs/dbraw/zinc/59/38/08/435593808.db2.gz SGICGWZIUOBHPG-MOPGFXCFSA-N 2 1 310.526 3.370 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+](C)CCCn2ccnc2)o1 ZINC000540321085 435594874 /nfs/dbraw/zinc/59/48/74/435594874.db2.gz TZPCXVGOBBHTOA-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP Cc1ccccc1-c1cnc(CN(C)CCCn2ccnc2)o1 ZINC000540321085 435594880 /nfs/dbraw/zinc/59/48/80/435594880.db2.gz TZPCXVGOBBHTOA-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000540314962 435596556 /nfs/dbraw/zinc/59/65/56/435596556.db2.gz BDISJWGGVNESFL-IZBJGVDFSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc2c[nH]nc2c1 ZINC000640535035 435597118 /nfs/dbraw/zinc/59/71/18/435597118.db2.gz YUXJKWNFRBQKOO-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000517554334 435598821 /nfs/dbraw/zinc/59/88/21/435598821.db2.gz VIAQTOXPOMEZML-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000570727169 435644961 /nfs/dbraw/zinc/64/49/61/435644961.db2.gz MGJFVKKAVCLQBN-KBAYOESNSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000570727169 435644965 /nfs/dbraw/zinc/64/49/65/435644965.db2.gz MGJFVKKAVCLQBN-KBAYOESNSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000570727169 435644970 /nfs/dbraw/zinc/64/49/70/435644970.db2.gz MGJFVKKAVCLQBN-KBAYOESNSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000570727169 435644975 /nfs/dbraw/zinc/64/49/75/435644975.db2.gz MGJFVKKAVCLQBN-KBAYOESNSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663093 435661469 /nfs/dbraw/zinc/66/14/69/435661469.db2.gz YCDVOHOYZMUBHH-SFHVURJKSA-N 2 1 301.409 3.384 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663093 435661472 /nfs/dbraw/zinc/66/14/72/435661472.db2.gz YCDVOHOYZMUBHH-SFHVURJKSA-N 2 1 301.409 3.384 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481318 435695494 /nfs/dbraw/zinc/69/54/94/435695494.db2.gz NGLJDUZKYRBKPK-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645802826 435695552 /nfs/dbraw/zinc/69/55/52/435695552.db2.gz QHRKNKOXIJBKEK-QRVBRYPASA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802826 435695557 /nfs/dbraw/zinc/69/55/57/435695557.db2.gz QHRKNKOXIJBKEK-QRVBRYPASA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802826 435695560 /nfs/dbraw/zinc/69/55/60/435695560.db2.gz QHRKNKOXIJBKEK-QRVBRYPASA-N 2 1 308.510 3.390 20 0 DGADMP C(C[C@@H]1CCOC1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000645792133 435692469 /nfs/dbraw/zinc/69/24/69/435692469.db2.gz VPEJNNYWRYZRAC-MOPGFXCFSA-N 2 1 308.510 3.391 20 0 DGADMP C(C[C@H]1CCOC1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000645792134 435692595 /nfs/dbraw/zinc/69/25/95/435692595.db2.gz VPEJNNYWRYZRAC-OALUTQOASA-N 2 1 308.510 3.391 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649886971 435731706 /nfs/dbraw/zinc/73/17/06/435731706.db2.gz WYXWKQJFGNZKTO-UHFFFAOYSA-N 2 1 309.335 3.260 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000655701002 435737329 /nfs/dbraw/zinc/73/73/29/435737329.db2.gz OEBXZVZIXFVJBN-GOSISDBHSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000655701002 435737339 /nfs/dbraw/zinc/73/73/39/435737339.db2.gz OEBXZVZIXFVJBN-GOSISDBHSA-N 2 1 312.461 3.348 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000655714369 435742650 /nfs/dbraw/zinc/74/26/50/435742650.db2.gz BQTFYRNZGVWSTQ-QGZVFWFLSA-N 2 1 324.472 3.063 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655714369 435742657 /nfs/dbraw/zinc/74/26/57/435742657.db2.gz BQTFYRNZGVWSTQ-QGZVFWFLSA-N 2 1 324.472 3.063 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000655714369 435742661 /nfs/dbraw/zinc/74/26/61/435742661.db2.gz BQTFYRNZGVWSTQ-QGZVFWFLSA-N 2 1 324.472 3.063 20 0 DGADMP C[C@@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655710895 435743655 /nfs/dbraw/zinc/74/36/55/435743655.db2.gz GUPKIYVEZSAHKU-QFBILLFUSA-N 2 1 302.462 3.023 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000549137501 435743706 /nfs/dbraw/zinc/74/37/06/435743706.db2.gz UEVXBWLSZHNUMB-ROUUACIJSA-N 2 1 306.494 3.429 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655730135 435755551 /nfs/dbraw/zinc/75/55/51/435755551.db2.gz MSEDUBGGROHQMF-LJQANCHMSA-N 2 1 316.489 3.098 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000548860838 435723469 /nfs/dbraw/zinc/72/34/69/435723469.db2.gz YSHUOOUMNDMIIZ-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CCC[C@H](C)C2)c2ccccn21 ZINC000651677845 435787587 /nfs/dbraw/zinc/78/75/87/435787587.db2.gz WSPRAHZDYTUVBY-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCC[C@H](C)C2)c2ccccn21 ZINC000651677845 435787591 /nfs/dbraw/zinc/78/75/91/435787591.db2.gz WSPRAHZDYTUVBY-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771582 435788316 /nfs/dbraw/zinc/78/83/16/435788316.db2.gz NBTFGSJAFMVPIA-ZBFHGGJFSA-N 2 1 316.436 3.045 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn21 ZINC000651680331 435791298 /nfs/dbraw/zinc/79/12/98/435791298.db2.gz HBJNCCADWIJDHA-JKSUJKDBSA-N 2 1 312.461 3.174 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn21 ZINC000651680331 435791304 /nfs/dbraw/zinc/79/13/04/435791304.db2.gz HBJNCCADWIJDHA-JKSUJKDBSA-N 2 1 312.461 3.174 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000655779538 435794512 /nfs/dbraw/zinc/79/45/12/435794512.db2.gz NGNJGNUVGNHMPY-BGTYHANMSA-N 2 1 304.503 3.206 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655800137 435807935 /nfs/dbraw/zinc/80/79/35/435807935.db2.gz ZKONTBICMJVLPI-CABCVRRESA-N 2 1 323.278 3.474 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655800138 435810158 /nfs/dbraw/zinc/81/01/58/435810158.db2.gz ZKONTBICMJVLPI-GJZGRUSLSA-N 2 1 323.278 3.474 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000551014737 435815456 /nfs/dbraw/zinc/81/54/56/435815456.db2.gz PPFMBFZLXDLIQH-UFYCRDLUSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000551014737 435815464 /nfs/dbraw/zinc/81/54/64/435815464.db2.gz PPFMBFZLXDLIQH-UFYCRDLUSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)C[C@H]1c1ccccc1 ZINC000551006701 435815588 /nfs/dbraw/zinc/81/55/88/435815588.db2.gz IKMHEYLKSDUFQJ-OALUTQOASA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)C[C@H]1c1ccccc1 ZINC000551006701 435815593 /nfs/dbraw/zinc/81/55/93/435815593.db2.gz IKMHEYLKSDUFQJ-OALUTQOASA-N 2 1 312.461 3.088 20 0 DGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660473667 435766277 /nfs/dbraw/zinc/76/62/77/435766277.db2.gz SIJSPHOHEAZUDU-AZUAARDMSA-N 2 1 316.489 3.194 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000664735828 435775580 /nfs/dbraw/zinc/77/55/80/435775580.db2.gz ZFEXVZZTAZGUPG-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP CCCOc1ccc([C@@H](C)NCc2cnc(C)n2C)cc1OC ZINC000520839985 435775913 /nfs/dbraw/zinc/77/59/13/435775913.db2.gz ZMEDTMFKHZQEAU-CYBMUJFWSA-N 2 1 317.433 3.377 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000520833057 435776926 /nfs/dbraw/zinc/77/69/26/435776926.db2.gz GXHUVWGUWLFDMD-UHFFFAOYSA-N 2 1 315.436 3.447 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OC ZINC000655754527 435778499 /nfs/dbraw/zinc/77/84/99/435778499.db2.gz AJKJYXOJXIYOAW-OAHLLOKOSA-N 2 1 306.450 3.058 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497924 435778737 /nfs/dbraw/zinc/77/87/37/435778737.db2.gz UBNODKLSGDWIRC-CVEARBPZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497924 435778738 /nfs/dbraw/zinc/77/87/38/435778738.db2.gz UBNODKLSGDWIRC-CVEARBPZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497924 435778739 /nfs/dbraw/zinc/77/87/39/435778739.db2.gz UBNODKLSGDWIRC-CVEARBPZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000660497924 435778741 /nfs/dbraw/zinc/77/87/41/435778741.db2.gz UBNODKLSGDWIRC-CVEARBPZSA-N 2 1 322.518 3.378 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000641800230 435827794 /nfs/dbraw/zinc/82/77/94/435827794.db2.gz ZIMZSADMNWVNEE-KGLIPLIRSA-N 2 1 301.459 3.118 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660642536 435837760 /nfs/dbraw/zinc/83/77/60/435837760.db2.gz SKEJCPLFWHHQEE-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660642536 435837768 /nfs/dbraw/zinc/83/77/68/435837768.db2.gz SKEJCPLFWHHQEE-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660642536 435837771 /nfs/dbraw/zinc/83/77/71/435837771.db2.gz SKEJCPLFWHHQEE-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660642536 435837777 /nfs/dbraw/zinc/83/77/77/435837777.db2.gz SKEJCPLFWHHQEE-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1Br)C2 ZINC000660654024 435843065 /nfs/dbraw/zinc/84/30/65/435843065.db2.gz FHNBZBVFQWHVCX-INIZCTEOSA-N 2 1 323.278 3.367 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664933585 435847455 /nfs/dbraw/zinc/84/74/55/435847455.db2.gz QCSZMEWSXGINLF-UXHICEINSA-N 2 1 312.457 3.220 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000664933585 435847461 /nfs/dbraw/zinc/84/74/61/435847461.db2.gz QCSZMEWSXGINLF-UXHICEINSA-N 2 1 312.457 3.220 20 0 DGADMP Fc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000651864048 435847996 /nfs/dbraw/zinc/84/79/96/435847996.db2.gz GJXSHBRICFNDLU-HZPDHXFCSA-N 2 1 302.437 3.464 20 0 DGADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000651865931 435849230 /nfs/dbraw/zinc/84/92/30/435849230.db2.gz NHNAMOGWEWAULY-UHFFFAOYSA-N 2 1 309.542 3.351 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000651866054 435851416 /nfs/dbraw/zinc/85/14/16/435851416.db2.gz RZJNIPDWOOOVBK-HNNXBMFYSA-N 2 1 323.456 3.110 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651894103 435855372 /nfs/dbraw/zinc/85/53/72/435855372.db2.gz RDWUFJUFQYVSKZ-ZULIPRJHSA-N 2 1 318.505 3.426 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651894103 435855377 /nfs/dbraw/zinc/85/53/77/435855377.db2.gz RDWUFJUFQYVSKZ-ZULIPRJHSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000572722263 435860522 /nfs/dbraw/zinc/86/05/22/435860522.db2.gz VVTJKVAGFQGLHM-VHDGCEQUSA-N 2 1 323.278 3.094 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000572722263 435860527 /nfs/dbraw/zinc/86/05/27/435860527.db2.gz VVTJKVAGFQGLHM-VHDGCEQUSA-N 2 1 323.278 3.094 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719089 435868682 /nfs/dbraw/zinc/86/86/82/435868682.db2.gz XSRYFQPOQFJDGY-UHFFFAOYSA-N 2 1 319.497 3.070 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719089 435868687 /nfs/dbraw/zinc/86/86/87/435868687.db2.gz XSRYFQPOQFJDGY-UHFFFAOYSA-N 2 1 319.497 3.070 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045293 435876548 /nfs/dbraw/zinc/87/65/48/435876548.db2.gz BVSJBRRGDLJDRD-LSDHHAIUSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045293 435876550 /nfs/dbraw/zinc/87/65/50/435876550.db2.gz BVSJBRRGDLJDRD-LSDHHAIUSA-N 2 1 322.493 3.263 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C[C@@H]1c1ccccc1 ZINC000551175812 435824607 /nfs/dbraw/zinc/82/46/07/435824607.db2.gz NVNHPLHZMMSURH-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C[C@@H]1c1ccccc1 ZINC000551175812 435824615 /nfs/dbraw/zinc/82/46/15/435824615.db2.gz NVNHPLHZMMSURH-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198312 435824925 /nfs/dbraw/zinc/82/49/25/435824925.db2.gz MBLBGRRNZVGRKE-QZTJIDSGSA-N 2 1 304.478 3.474 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198312 435824933 /nfs/dbraw/zinc/82/49/33/435824933.db2.gz MBLBGRRNZVGRKE-QZTJIDSGSA-N 2 1 304.478 3.474 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000551268452 435827281 /nfs/dbraw/zinc/82/72/81/435827281.db2.gz WQUUVOYNOYTJBT-XHSDSOJGSA-N 2 1 305.466 3.109 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000551268452 435827286 /nfs/dbraw/zinc/82/72/86/435827286.db2.gz WQUUVOYNOYTJBT-XHSDSOJGSA-N 2 1 305.466 3.109 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1N1CCCC1 ZINC000665236077 435924579 /nfs/dbraw/zinc/92/45/79/435924579.db2.gz GWKPVCZKLQODGI-SJLPKXTDSA-N 2 1 316.493 3.082 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000652222481 435926270 /nfs/dbraw/zinc/92/62/70/435926270.db2.gz POMVRQKJZVWOTL-HNNXBMFYSA-N 2 1 317.477 3.200 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259206 435932206 /nfs/dbraw/zinc/93/22/06/435932206.db2.gz YJGYUVKAFKASOO-TZDHZFECSA-N 2 1 308.441 3.304 20 0 DGADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257589 435932806 /nfs/dbraw/zinc/93/28/06/435932806.db2.gz NSRYEOAMLVKLIQ-GDIGMMSISA-N 2 1 316.420 3.475 20 0 DGADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363380 435958911 /nfs/dbraw/zinc/95/89/11/435958911.db2.gz CPXCTYSWICPPKY-IPMKNSEASA-N 2 1 302.462 3.110 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000652358495 435959683 /nfs/dbraw/zinc/95/96/83/435959683.db2.gz LHTCLNQLTVPANR-RBUKOAKNSA-N 2 1 316.489 3.482 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362799 435959719 /nfs/dbraw/zinc/95/97/19/435959719.db2.gz PWNNRGHFAQWMBA-QRQLOZEOSA-N 2 1 302.462 3.164 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363635 435959892 /nfs/dbraw/zinc/95/98/92/435959892.db2.gz JULABUBJLCVRAM-GUDVDZBRSA-N 2 1 302.462 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647186815 435965704 /nfs/dbraw/zinc/96/57/04/435965704.db2.gz WGYSEQPWPIZISD-UHFFFAOYSA-N 2 1 323.444 3.256 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707785 435994822 /nfs/dbraw/zinc/99/48/22/435994822.db2.gz NAJXYVLTZPDBIX-BQFCYCMXSA-N 2 1 322.880 3.367 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000650706953 435995294 /nfs/dbraw/zinc/99/52/94/435995294.db2.gz VVQRKEJOPGBNRH-GPMSIDNRSA-N 2 1 314.429 3.151 20 0 DGADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299076 435942809 /nfs/dbraw/zinc/94/28/09/435942809.db2.gz FVYJNVULFPCUGV-IYWMVGAKSA-N 3 1 319.537 3.009 20 0 DGADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299076 435942813 /nfs/dbraw/zinc/94/28/13/435942813.db2.gz FVYJNVULFPCUGV-IYWMVGAKSA-N 2 1 319.537 3.009 20 0 DGADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299076 435942816 /nfs/dbraw/zinc/94/28/16/435942816.db2.gz FVYJNVULFPCUGV-IYWMVGAKSA-N 2 1 319.537 3.009 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1CC[NH3+] ZINC000652354133 435957127 /nfs/dbraw/zinc/95/71/27/435957127.db2.gz NTFMGIFMJIUIEP-CZUORRHYSA-N 2 1 323.868 3.118 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348268 435957198 /nfs/dbraw/zinc/95/71/98/435957198.db2.gz ZLHRWGUAQIBZKS-ZFHGCVPZSA-N 2 1 324.415 3.244 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1SC ZINC000650710961 435997718 /nfs/dbraw/zinc/99/77/18/435997718.db2.gz DPIICRYCCIGOFL-ZFWWWQNUSA-N 2 1 308.491 3.366 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@H]1CC[NH3+] ZINC000650711059 435997923 /nfs/dbraw/zinc/99/79/23/435997923.db2.gz HIIARVDZFQJFEB-QAPCUYQASA-N 2 1 310.445 3.093 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722143 436006557 /nfs/dbraw/zinc/00/65/57/436006557.db2.gz MHDFYLONNAUSCS-GUDVDZBRSA-N 2 1 302.462 3.110 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000650722263 436007006 /nfs/dbraw/zinc/00/70/06/436007006.db2.gz ODPDUHJOUWQYON-SZVBFZGTSA-N 2 1 314.429 3.294 20 0 DGADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723814 436008541 /nfs/dbraw/zinc/00/85/41/436008541.db2.gz UIMGPDXJSSNUOR-KFWWJZLASA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723814 436008544 /nfs/dbraw/zinc/00/85/44/436008544.db2.gz UIMGPDXJSSNUOR-KFWWJZLASA-N 2 1 323.506 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2sccc2Cl)C1 ZINC000650723341 436008978 /nfs/dbraw/zinc/00/89/78/436008978.db2.gz LUJXUBDQFQXKJX-KWCYVHTRSA-N 2 1 314.882 3.262 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000650724372 436009381 /nfs/dbraw/zinc/00/93/81/436009381.db2.gz DMMJYQARNZIUIE-AQNXPRMDSA-N 2 1 314.473 3.425 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000656692149 436010053 /nfs/dbraw/zinc/01/00/53/436010053.db2.gz KVDULNBXYDQIJZ-BEFAXECRSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000656692149 436010056 /nfs/dbraw/zinc/01/00/56/436010056.db2.gz KVDULNBXYDQIJZ-BEFAXECRSA-N 2 1 300.446 3.192 20 0 DGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1C ZINC000656700410 436014188 /nfs/dbraw/zinc/01/41/88/436014188.db2.gz KBGPKDJXUCDICE-OALUTQOASA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1C ZINC000656700410 436014194 /nfs/dbraw/zinc/01/41/94/436014194.db2.gz KBGPKDJXUCDICE-OALUTQOASA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700410 436014198 /nfs/dbraw/zinc/01/41/98/436014198.db2.gz KBGPKDJXUCDICE-OALUTQOASA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700410 436014204 /nfs/dbraw/zinc/01/42/04/436014204.db2.gz KBGPKDJXUCDICE-OALUTQOASA-N 2 1 304.478 3.141 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650752541 436018709 /nfs/dbraw/zinc/01/87/09/436018709.db2.gz SXDSIHLBDLVSGC-GFCCVEGCSA-N 2 1 318.392 3.152 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Cl ZINC000650754351 436019078 /nfs/dbraw/zinc/01/90/78/436019078.db2.gz HCMHMZKZXWQLEN-SNVBAGLBSA-N 2 1 323.799 3.192 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650764116 436023872 /nfs/dbraw/zinc/02/38/72/436023872.db2.gz QOLYIOAOBMUQST-FXAWDEMLSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000650764116 436023876 /nfs/dbraw/zinc/02/38/76/436023876.db2.gz QOLYIOAOBMUQST-FXAWDEMLSA-N 3 1 315.505 3.019 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)[C@H](c2ccccc2)C1 ZINC000647344562 436024863 /nfs/dbraw/zinc/02/48/63/436024863.db2.gz UIOBHLKIHFMVHM-FGTMMUONSA-N 2 1 316.489 3.268 20 0 DGADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647344762 436025705 /nfs/dbraw/zinc/02/57/05/436025705.db2.gz YVFOPAVCICZNOJ-AHRSYUTCSA-N 2 1 309.457 3.386 20 0 DGADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344495 436026072 /nfs/dbraw/zinc/02/60/72/436026072.db2.gz RTKCXVXGEDBPPV-QYZOEREBSA-N 2 1 304.478 3.127 20 0 DGADMP c1ccc2ncc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000656783635 436043242 /nfs/dbraw/zinc/04/32/42/436043242.db2.gz RXTVFHLGNQCHPW-IBGZPJMESA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000656783041 436043638 /nfs/dbraw/zinc/04/36/38/436043638.db2.gz MKFMMTMYZVDYAP-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP c1ccc(-c2nc3c(s2)C[N@H+](C[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000656788078 436047804 /nfs/dbraw/zinc/04/78/04/436047804.db2.gz AKNRAVOLVKAPAU-AWEZNQCLSA-N 2 1 313.470 3.168 20 0 DGADMP c1ccc(-c2nc3c(s2)C[N@@H+](C[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000656788078 436047808 /nfs/dbraw/zinc/04/78/08/436047808.db2.gz AKNRAVOLVKAPAU-AWEZNQCLSA-N 2 1 313.470 3.168 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC(C)C ZINC000650708527 435995396 /nfs/dbraw/zinc/99/53/96/435995396.db2.gz BXSYDLRIMNPMJU-LPHOPBHVSA-N 2 1 318.461 3.043 20 0 DGADMP CC[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708000 435995579 /nfs/dbraw/zinc/99/55/79/435995579.db2.gz RIQRLHTWUYWCCP-GSEOLPGOSA-N 2 1 316.489 3.399 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000650707284 435995943 /nfs/dbraw/zinc/99/59/43/435995943.db2.gz CEYIQHVQSXRVLL-BRWVUGGUSA-N 2 1 324.415 3.343 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccsc3Cl)C2)C1 ZINC000650707955 435996084 /nfs/dbraw/zinc/99/60/84/435996084.db2.gz QKFXCEDGIJOOKJ-YUTCNCBUSA-N 2 1 314.882 3.120 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000650705692 435996294 /nfs/dbraw/zinc/99/62/94/435996294.db2.gz RIIYDHNGJZCIES-FHWLQOOXSA-N 2 1 302.462 3.022 20 0 DGADMP COCC[NH2+]C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000650705150 435996377 /nfs/dbraw/zinc/99/63/77/435996377.db2.gz WRIHXKODINTXKB-UHFFFAOYSA-N 2 1 304.459 3.102 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480786 436059655 /nfs/dbraw/zinc/05/96/55/436059655.db2.gz ZUZNNRUKYVFTPE-RBUKOAKNSA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480786 436059662 /nfs/dbraw/zinc/05/96/62/436059662.db2.gz ZUZNNRUKYVFTPE-RBUKOAKNSA-N 2 1 322.456 3.108 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000647480610 436060472 /nfs/dbraw/zinc/06/04/72/436060472.db2.gz UWNPSKMDOYMWPZ-MSOLQXFVSA-N 2 1 302.462 3.276 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000647480612 436061156 /nfs/dbraw/zinc/06/11/56/436061156.db2.gz UWNPSKMDOYMWPZ-ROUUACIJSA-N 2 1 302.462 3.276 20 0 DGADMP Brc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647483112 436062713 /nfs/dbraw/zinc/06/27/13/436062713.db2.gz ZVLMTLJDYNQUKY-UHFFFAOYSA-N 2 1 309.251 3.166 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000647484197 436063021 /nfs/dbraw/zinc/06/30/21/436063021.db2.gz WGKBFXUQQXEVRL-AWEZNQCLSA-N 2 1 306.450 3.056 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000647484197 436063025 /nfs/dbraw/zinc/06/30/25/436063025.db2.gz WGKBFXUQQXEVRL-AWEZNQCLSA-N 2 1 306.450 3.056 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480982 436064156 /nfs/dbraw/zinc/06/41/56/436064156.db2.gz LUTFOANKWGIHLL-IAGOWNOFSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480982 436064161 /nfs/dbraw/zinc/06/41/61/436064161.db2.gz LUTFOANKWGIHLL-IAGOWNOFSA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cccc(OC)c2OC(C)C)CC[C@H]1[NH3+] ZINC000647498276 436065584 /nfs/dbraw/zinc/06/55/84/436065584.db2.gz DMQHGBQOXAAYMG-GOEBONIOSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC(C)C)CC[C@H]1[NH3+] ZINC000647498276 436065591 /nfs/dbraw/zinc/06/55/91/436065591.db2.gz DMQHGBQOXAAYMG-GOEBONIOSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498781 436066015 /nfs/dbraw/zinc/06/60/15/436066015.db2.gz QMSRXVIBHGQYBT-GJZGRUSLSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647498863 436066303 /nfs/dbraw/zinc/06/63/03/436066303.db2.gz SFUUWOKQSNJAMD-ZFWWWQNUSA-N 2 1 316.367 3.187 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647498898 436066595 /nfs/dbraw/zinc/06/65/95/436066595.db2.gz SUCXAYTYYIMZTD-UKRRQHHQSA-N 2 1 316.367 3.187 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647509234 436068739 /nfs/dbraw/zinc/06/87/39/436068739.db2.gz WXFHOCBEQJXALT-KGLIPLIRSA-N 2 1 324.428 3.002 20 0 DGADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543177 436076826 /nfs/dbraw/zinc/07/68/26/436076826.db2.gz IUDIXZXTJMEFQN-MSOLQXFVSA-N 2 1 324.472 3.084 20 0 DGADMP c1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647542728 436076907 /nfs/dbraw/zinc/07/69/07/436076907.db2.gz AUWWZIGFKXVZAR-RTBURBONSA-N 2 1 309.457 3.446 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543012 436078080 /nfs/dbraw/zinc/07/80/80/436078080.db2.gz GLTKLKGXCBJKPU-JKSUJKDBSA-N 2 1 324.415 3.500 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543615 436078190 /nfs/dbraw/zinc/07/81/90/436078190.db2.gz QIGFNZWEMVIDBK-IRXDYDNUSA-N 2 1 320.452 3.436 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542949 436078513 /nfs/dbraw/zinc/07/85/13/436078513.db2.gz FDZCEHBWUXYRJP-CABCVRRESA-N 2 1 319.518 3.234 20 0 DGADMP C[C@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000647551529 436083695 /nfs/dbraw/zinc/08/36/95/436083695.db2.gz TVOLUKSXSOAAAO-YWPYICTPSA-N 2 1 300.368 3.397 20 0 DGADMP COc1cc(C)c([C@H](C)NCc2cnc3n2CCC3)cc1OC ZINC000657311162 436128681 /nfs/dbraw/zinc/12/86/81/436128681.db2.gz UZBXVDXDWGTDPW-ZDUSSCGKSA-N 2 1 315.417 3.006 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657313880 436132675 /nfs/dbraw/zinc/13/26/75/436132675.db2.gz WPAUOCXELJAMNO-IYBDPMFKSA-N 2 1 318.509 3.145 20 0 DGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1=CCCOC1 ZINC000661654098 436137516 /nfs/dbraw/zinc/13/75/16/436137516.db2.gz WLJQUBDBKTXJQU-UHFFFAOYSA-N 2 1 314.473 3.451 20 0 DGADMP OC1CC[NH+](CCC[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657327107 436138922 /nfs/dbraw/zinc/13/89/22/436138922.db2.gz URELMBLKBIUFHW-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647881133 436141119 /nfs/dbraw/zinc/14/11/19/436141119.db2.gz CYFXUZFXAYSSLK-IBGZPJMESA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647879486 436141455 /nfs/dbraw/zinc/14/14/55/436141455.db2.gz AHRMWACOUKZTEB-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666082172 436141833 /nfs/dbraw/zinc/14/18/33/436141833.db2.gz GCLUKHYVYMSHIE-DZGCQCFKSA-N 2 1 304.865 3.271 20 0 DGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000647888052 436142107 /nfs/dbraw/zinc/14/21/07/436142107.db2.gz FRMJTVKXOKTYLF-KURKYZTESA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657335216 436142356 /nfs/dbraw/zinc/14/23/56/436142356.db2.gz NILPTZUNGCJRCF-LBPRGKRZSA-N 2 1 316.367 3.247 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657335216 436142359 /nfs/dbraw/zinc/14/23/59/436142359.db2.gz NILPTZUNGCJRCF-LBPRGKRZSA-N 2 1 316.367 3.247 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000647908399 436144324 /nfs/dbraw/zinc/14/43/24/436144324.db2.gz QMEJXHAETQKPMS-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647903950 436144441 /nfs/dbraw/zinc/14/44/41/436144441.db2.gz SZCTXEDHXWKBDX-YJBOKZPZSA-N 2 1 320.502 3.251 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902653 436145417 /nfs/dbraw/zinc/14/54/17/436145417.db2.gz ALYRQUBFSFUITN-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647903947 436145492 /nfs/dbraw/zinc/14/54/92/436145492.db2.gz SZCTXEDHXWKBDX-CRAIPNDOSA-N 2 1 320.502 3.251 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903571 436145720 /nfs/dbraw/zinc/14/57/20/436145720.db2.gz MJWYEVWGLGRZQB-MSOLQXFVSA-N 2 1 302.462 3.092 20 0 DGADMP CSc1cc(C)ccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909338 436145730 /nfs/dbraw/zinc/14/57/30/436145730.db2.gz DDWXEPYLJPAAHI-UHFFFAOYSA-N 2 1 322.518 3.042 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789091 436119126 /nfs/dbraw/zinc/11/91/26/436119126.db2.gz YLNPBEWWIVVBTD-MISYRCLQSA-N 3 1 315.505 3.005 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@@H]1CCCC[NH2+]1 ZINC000647800401 436122733 /nfs/dbraw/zinc/12/27/33/436122733.db2.gz ASBTZGCYVLOBLN-KFWWJZLASA-N 2 1 306.475 3.050 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[C@H]1O ZINC000661623359 436123163 /nfs/dbraw/zinc/12/31/63/436123163.db2.gz ZXZBFWBVGVLRGD-YRWFTTLQSA-N 2 1 316.489 3.121 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000661705988 436160246 /nfs/dbraw/zinc/16/02/46/436160246.db2.gz HCSQUJXNSPYVBQ-MJGOQNOKSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@@]2(C)CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000661705988 436160253 /nfs/dbraw/zinc/16/02/53/436160253.db2.gz HCSQUJXNSPYVBQ-MJGOQNOKSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@@]2(C)CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000661705988 436160258 /nfs/dbraw/zinc/16/02/58/436160258.db2.gz HCSQUJXNSPYVBQ-MJGOQNOKSA-N 2 1 302.462 3.143 20 0 DGADMP CCc1ccc([C@@H]2CCCCCN2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964280 436160584 /nfs/dbraw/zinc/16/05/84/436160584.db2.gz BCPISZQSGNHJQV-WMZOPIPTSA-N 2 1 322.493 3.460 20 0 DGADMP CC[C@H]1C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@H]1[NH3+] ZINC000647939856 436155003 /nfs/dbraw/zinc/15/50/03/436155003.db2.gz CPYMMFGVFNIJPY-FUHWJXTLSA-N 2 1 302.462 3.374 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@H]1[NH3+] ZINC000647939856 436155007 /nfs/dbraw/zinc/15/50/07/436155007.db2.gz CPYMMFGVFNIJPY-FUHWJXTLSA-N 2 1 302.462 3.374 20 0 DGADMP c1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975720 436166433 /nfs/dbraw/zinc/16/64/33/436166433.db2.gz FELRXMONVHIYJW-SJORKVTESA-N 2 1 304.503 3.490 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657375282 436166756 /nfs/dbraw/zinc/16/67/56/436166756.db2.gz XOZZRUOAZAPMAT-UHFFFAOYSA-N 2 1 300.431 3.371 20 0 DGADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990929 436169957 /nfs/dbraw/zinc/16/99/57/436169957.db2.gz VYXCWLGPMKVYAU-DNVCBOLYSA-N 2 1 302.462 3.090 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CO1 ZINC000657388909 436172951 /nfs/dbraw/zinc/17/29/51/436172951.db2.gz QDWSDPMODIVOKV-WZGPROSRSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CO1 ZINC000657388909 436172957 /nfs/dbraw/zinc/17/29/57/436172957.db2.gz QDWSDPMODIVOKV-WZGPROSRSA-N 2 1 302.462 3.197 20 0 DGADMP COC1CC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657529588 436237138 /nfs/dbraw/zinc/23/71/38/436237138.db2.gz XFGBRQXYPMAGES-UHFFFAOYSA-N 2 1 316.489 3.098 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563576 436206294 /nfs/dbraw/zinc/20/62/94/436206294.db2.gz UDKTVJOUHIBRQU-CPUCHLNUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563576 436206296 /nfs/dbraw/zinc/20/62/96/436206296.db2.gz UDKTVJOUHIBRQU-CPUCHLNUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563576 436206301 /nfs/dbraw/zinc/20/63/01/436206301.db2.gz UDKTVJOUHIBRQU-CPUCHLNUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563576 436206306 /nfs/dbraw/zinc/20/63/06/436206306.db2.gz UDKTVJOUHIBRQU-CPUCHLNUSA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563576 436206309 /nfs/dbraw/zinc/20/63/09/436206309.db2.gz UDKTVJOUHIBRQU-CPUCHLNUSA-N 2 1 312.885 3.076 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000653567380 436209261 /nfs/dbraw/zinc/20/92/61/436209261.db2.gz FDABFUKDRDKGGI-UHFFFAOYSA-N 2 1 305.466 3.024 20 0 DGADMP Fc1cccc(F)c1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000653569081 436209538 /nfs/dbraw/zinc/20/95/38/436209538.db2.gz AOHODSHRTXFSCI-UHFFFAOYSA-N 2 1 317.383 3.115 20 0 DGADMP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653590457 436217449 /nfs/dbraw/zinc/21/74/49/436217449.db2.gz CHMYLYGFAAIOML-UKRRQHHQSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653590457 436217454 /nfs/dbraw/zinc/21/74/54/436217454.db2.gz CHMYLYGFAAIOML-UKRRQHHQSA-N 2 1 323.400 3.021 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878919 436220196 /nfs/dbraw/zinc/22/01/96/436220196.db2.gz RZXYTJPKOGVLJP-QZTJIDSGSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878919 436220197 /nfs/dbraw/zinc/22/01/97/436220197.db2.gz RZXYTJPKOGVLJP-QZTJIDSGSA-N 2 1 305.466 3.253 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(F)c1OC(F)F)C1CC1 ZINC000657488601 436225506 /nfs/dbraw/zinc/22/55/06/436225506.db2.gz SXABSQUFCQSSHK-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657499266 436228013 /nfs/dbraw/zinc/22/80/13/436228013.db2.gz BYWVPCVMZNDBCA-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]1(C)CO ZINC000662143010 436286566 /nfs/dbraw/zinc/28/65/66/436286566.db2.gz MQURJOSYAJQKCD-FXAWDEMLSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662153720 436289162 /nfs/dbraw/zinc/28/91/62/436289162.db2.gz TUMCWGVWNKKCMX-PKOBYXMFSA-N 2 1 316.489 3.204 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855363 436296085 /nfs/dbraw/zinc/29/60/85/436296085.db2.gz NTLCZYPBCANJER-GFCCVEGCSA-N 2 1 303.233 3.234 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751874 436296121 /nfs/dbraw/zinc/29/61/21/436296121.db2.gz UWZRFSFAKIKRMM-QGZVFWFLSA-N 2 1 322.880 3.300 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000662018462 436248951 /nfs/dbraw/zinc/24/89/51/436248951.db2.gz BTABVHBXHAJEPD-IEBWSBKVSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000662018462 436248953 /nfs/dbraw/zinc/24/89/53/436248953.db2.gz BTABVHBXHAJEPD-IEBWSBKVSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000662018462 436248957 /nfs/dbraw/zinc/24/89/57/436248957.db2.gz BTABVHBXHAJEPD-IEBWSBKVSA-N 2 1 301.478 3.072 20 0 DGADMP Cc1ccncc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657588341 436255937 /nfs/dbraw/zinc/25/59/37/436255937.db2.gz GSIOYYYJKKAVIE-UHFFFAOYSA-N 2 1 323.484 3.229 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594809 436257116 /nfs/dbraw/zinc/25/71/16/436257116.db2.gz CTCVTPQULWNVOL-OALUTQOASA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cc(C)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594218 436257202 /nfs/dbraw/zinc/25/72/02/436257202.db2.gz GSMMYOXZBRGYCD-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596169 436257534 /nfs/dbraw/zinc/25/75/34/436257534.db2.gz LVRDJLDKEJPZBE-LZQZEXGQSA-N 2 1 316.489 3.168 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)C1 ZINC000657597212 436257655 /nfs/dbraw/zinc/25/76/55/436257655.db2.gz QYBORZWGURZYKP-LJQANCHMSA-N 2 1 314.473 3.066 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)C1 ZINC000657594933 436257899 /nfs/dbraw/zinc/25/78/99/436257899.db2.gz LIPWLVDACULNSF-ANIGNSTFSA-N 2 1 322.452 3.056 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657596155 436258050 /nfs/dbraw/zinc/25/80/50/436258050.db2.gz LUABYPQGFYPMDT-LSTHTHJFSA-N 2 1 316.489 3.169 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657612414 436259948 /nfs/dbraw/zinc/25/99/48/436259948.db2.gz XHOLWQCSCQVOBG-NQYYFHDYSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657612414 436259953 /nfs/dbraw/zinc/25/99/53/436259953.db2.gz XHOLWQCSCQVOBG-NQYYFHDYSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000657666263 436272536 /nfs/dbraw/zinc/27/25/36/436272536.db2.gz NSVAELGINFWKSE-YLJYHZDGSA-N 2 1 316.489 3.241 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cs2)cc1 ZINC000666743766 436274941 /nfs/dbraw/zinc/27/49/41/436274941.db2.gz BEMJAMKIMGKNPK-CJNGLKHVSA-N 2 1 317.458 3.036 20 0 DGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770717 436279320 /nfs/dbraw/zinc/27/93/20/436279320.db2.gz SWFAZNWSARXKRP-HIFRSBDPSA-N 2 1 312.404 3.341 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000657701871 436282563 /nfs/dbraw/zinc/28/25/63/436282563.db2.gz DATYPFYTRCBFKN-IAGOWNOFSA-N 2 1 317.477 3.364 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000657786594 436304667 /nfs/dbraw/zinc/30/46/67/436304667.db2.gz OCVLSLZMTIYOBD-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657786594 436304672 /nfs/dbraw/zinc/30/46/72/436304672.db2.gz OCVLSLZMTIYOBD-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000662255150 436313243 /nfs/dbraw/zinc/31/32/43/436313243.db2.gz AIELQBGTKSFILC-QZTJIDSGSA-N 2 1 302.487 3.192 20 0 DGADMP CCCO[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662257018 436313263 /nfs/dbraw/zinc/31/32/63/436313263.db2.gz LMQYCFSKTAYHJY-GOSISDBHSA-N 2 1 302.462 3.113 20 0 DGADMP CCCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1ccccc1 ZINC000662258116 436313434 /nfs/dbraw/zinc/31/34/34/436313434.db2.gz WXWFPZHTIROJQE-SJLPKXTDSA-N 2 1 302.462 3.371 20 0 DGADMP COc1ccccc1CC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662257017 436314408 /nfs/dbraw/zinc/31/44/08/436314408.db2.gz LLOVQAUHLAPCCF-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP CC[N@H+](Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662267359 436316548 /nfs/dbraw/zinc/31/65/48/436316548.db2.gz UVRKJAJCPOOICY-CQSZACIVSA-N 2 1 316.367 3.391 20 0 DGADMP CC[N@@H+](Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662267359 436316552 /nfs/dbraw/zinc/31/65/52/436316552.db2.gz UVRKJAJCPOOICY-CQSZACIVSA-N 2 1 316.367 3.391 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OC ZINC000666981185 436319340 /nfs/dbraw/zinc/31/93/40/436319340.db2.gz ZBQOJHNQOYFJGY-GUYCJALGSA-N 2 1 308.466 3.336 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000666995367 436322194 /nfs/dbraw/zinc/32/21/94/436322194.db2.gz LNVPRRNVAOZODH-BHIYHBOVSA-N 2 1 313.489 3.086 20 0 DGADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662281197 436323659 /nfs/dbraw/zinc/32/36/59/436323659.db2.gz VXNWFHNYKHCRAL-QVKFZJNVSA-N 2 1 322.452 3.156 20 0 DGADMP CCCCc1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291622 436324308 /nfs/dbraw/zinc/32/43/08/436324308.db2.gz VVWXAUMUCRBAHB-GDBMZVCRSA-N 2 1 320.481 3.185 20 0 DGADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298246 436326170 /nfs/dbraw/zinc/32/61/70/436326170.db2.gz UYEIWNPVATYILL-DZGCQCFKSA-N 2 1 320.481 3.140 20 0 DGADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298110 436326646 /nfs/dbraw/zinc/32/66/46/436326646.db2.gz UPTIUXATYZMFCR-HOCLYGCPSA-N 2 1 320.481 3.185 20 0 DGADMP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298105 436326782 /nfs/dbraw/zinc/32/67/82/436326782.db2.gz UPTIUXATYZMFCR-GDBMZVCRSA-N 2 1 320.481 3.185 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000662311364 436327137 /nfs/dbraw/zinc/32/71/37/436327137.db2.gz SAVJILFKZSNPFV-APWZRJJASA-N 2 1 302.462 3.048 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657859954 436328066 /nfs/dbraw/zinc/32/80/66/436328066.db2.gz ZOSYHAHUOZTPCZ-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2csc(N(C)C3CC3)n2)[C@@H]1CCC[NH3+] ZINC000662313927 436328719 /nfs/dbraw/zinc/32/87/19/436328719.db2.gz NNYMPJILLQMRHB-CZUORRHYSA-N 2 1 322.522 3.081 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325652 436330716 /nfs/dbraw/zinc/33/07/16/436330716.db2.gz OUIXIMPAQVWMOG-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325652 436330720 /nfs/dbraw/zinc/33/07/20/436330720.db2.gz OUIXIMPAQVWMOG-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657875730 436332391 /nfs/dbraw/zinc/33/23/91/436332391.db2.gz ICRCNHIRTWZUNF-AEFFLSMTSA-N 2 1 300.490 3.428 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657999083 436353641 /nfs/dbraw/zinc/35/36/41/436353641.db2.gz RVPORMSIIRDOFH-QZTJIDSGSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000657920238 436341012 /nfs/dbraw/zinc/34/10/12/436341012.db2.gz ZVMNPTLPPSGRJL-WKULXVSPSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090213 436371797 /nfs/dbraw/zinc/37/17/97/436371797.db2.gz FMANPDWYNCIKCM-XJKSGUPXSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090213 436371802 /nfs/dbraw/zinc/37/18/02/436371802.db2.gz FMANPDWYNCIKCM-XJKSGUPXSA-N 2 1 321.440 3.005 20 0 DGADMP CC[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090040 436371936 /nfs/dbraw/zinc/37/19/36/436371936.db2.gz CZBWNMUUEFIUQY-HOTGVXAUSA-N 2 1 318.461 3.371 20 0 DGADMP CC[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090040 436371939 /nfs/dbraw/zinc/37/19/39/436371939.db2.gz CZBWNMUUEFIUQY-HOTGVXAUSA-N 2 1 318.461 3.371 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091008 436372333 /nfs/dbraw/zinc/37/23/33/436372333.db2.gz KBEYHYLKFISBCR-CZUORRHYSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091008 436372335 /nfs/dbraw/zinc/37/23/35/436372335.db2.gz KBEYHYLKFISBCR-CZUORRHYSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135241 436385132 /nfs/dbraw/zinc/38/51/32/436385132.db2.gz CRQXTTGQAMZHTE-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP CCCC(CCC)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658144037 436386090 /nfs/dbraw/zinc/38/60/90/436386090.db2.gz KBWPGJVBGFTTIC-IBGZPJMESA-N 2 1 304.478 3.312 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658145278 436387079 /nfs/dbraw/zinc/38/70/79/436387079.db2.gz RFHFDAKSRHAPGB-APWZRJJASA-N 2 1 304.478 3.168 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000658211264 436400758 /nfs/dbraw/zinc/40/07/58/436400758.db2.gz CYOXZZUIELEMJG-WSTZPKSXSA-N 2 1 311.473 3.183 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229842 436406831 /nfs/dbraw/zinc/40/68/31/436406831.db2.gz IJRKCPTVXVEAOJ-BCDMZGRMSA-N 2 1 306.494 3.187 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229842 436406836 /nfs/dbraw/zinc/40/68/36/436406836.db2.gz IJRKCPTVXVEAOJ-BCDMZGRMSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658361508 436439713 /nfs/dbraw/zinc/43/97/13/436439713.db2.gz NMMVASHTKJHMKS-UTKZUKDTSA-N 2 1 324.468 3.363 20 0 DGADMP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343931 436442681 /nfs/dbraw/zinc/44/26/81/436442681.db2.gz KEGVTLPDDIDBPQ-HAGHYFMRSA-N 2 1 320.521 3.293 20 0 DGADMP COCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346485 436443558 /nfs/dbraw/zinc/44/35/58/436443558.db2.gz RWUBQIGGIFVMMC-IBGZPJMESA-N 2 1 302.462 3.045 20 0 DGADMP C[C@@H](CNc1[nH+]ccc2[nH]ccc21)[N@H+]1CCc2sccc2C1 ZINC000663384778 436451188 /nfs/dbraw/zinc/45/11/88/436451188.db2.gz WPAAHTFSWKRYQC-LBPRGKRZSA-N 2 1 312.442 3.483 20 0 DGADMP C[C@H](CNc1[nH+]ccc2[nH]ccc21)[N@H+]1CCc2sccc2C1 ZINC000663384777 436451498 /nfs/dbraw/zinc/45/14/98/436451498.db2.gz WPAAHTFSWKRYQC-GFCCVEGCSA-N 2 1 312.442 3.483 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663466889 436464525 /nfs/dbraw/zinc/46/45/25/436464525.db2.gz AWXFUTTVODVITM-RCCFBDPRSA-N 2 1 306.494 3.046 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)CC1 ZINC000658287888 436419473 /nfs/dbraw/zinc/41/94/73/436419473.db2.gz KXCYTSFZBDIZQR-MOPGFXCFSA-N 2 1 304.478 3.209 20 0 DGADMP CCn1nccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663471695 436466781 /nfs/dbraw/zinc/46/67/81/436466781.db2.gz VVROVFKWUGUVEE-REPLKXPHSA-N 2 1 324.472 3.188 20 0 DGADMP CCn1nccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663471695 436466783 /nfs/dbraw/zinc/46/67/83/436466783.db2.gz VVROVFKWUGUVEE-REPLKXPHSA-N 2 1 324.472 3.188 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663498691 436470081 /nfs/dbraw/zinc/47/00/81/436470081.db2.gz DFDJGQQOBDOXPA-NZSAHSFTSA-N 3 1 303.494 3.003 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(F)cc1Br ZINC000663498657 436470791 /nfs/dbraw/zinc/47/07/91/436470791.db2.gz QZZGYFVVXKKMGY-CYBMUJFWSA-N 2 1 303.219 3.051 20 0 DGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C[NH2+]C ZINC000663513493 436473105 /nfs/dbraw/zinc/47/31/05/436473105.db2.gz KUFQMQUAXDCRMY-DOMZBBRYSA-N 2 1 313.283 3.358 20 0 DGADMP Cc1cc(CO)cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000663682894 436491255 /nfs/dbraw/zinc/49/12/55/436491255.db2.gz NSWQVAQAWZZMNP-INIZCTEOSA-N 2 1 313.445 3.205 20 0 DGADMP Cc1cc(CO)cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000663682894 436491258 /nfs/dbraw/zinc/49/12/58/436491258.db2.gz NSWQVAQAWZZMNP-INIZCTEOSA-N 2 1 313.445 3.205 20 0 DGADMP Cc1cc(CO)cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000663682894 436491259 /nfs/dbraw/zinc/49/12/59/436491259.db2.gz NSWQVAQAWZZMNP-INIZCTEOSA-N 2 1 313.445 3.205 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009912 436577556 /nfs/dbraw/zinc/57/75/56/436577556.db2.gz CYMSALTTZAWGBE-CJNGLKHVSA-N 2 1 301.459 3.212 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000659846629 436540096 /nfs/dbraw/zinc/54/00/96/436540096.db2.gz HTGUSJCYNDKENI-UHFFFAOYSA-N 2 1 305.466 3.496 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCC2CCC2)CC1 ZINC000659865173 436549466 /nfs/dbraw/zinc/54/94/66/436549466.db2.gz ONTSYRQOWXSIMK-HDICACEKSA-N 2 1 307.526 3.057 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000655693051 436575471 /nfs/dbraw/zinc/57/54/71/436575471.db2.gz ZYWCFDYCMRDSIH-XHSDSOJGSA-N 2 1 304.482 3.194 20 0 DGADMP c1ccc2c(c1)cccc2CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655689192 436575517 /nfs/dbraw/zinc/57/55/17/436575517.db2.gz YIVXTTSEUNBCSD-FQEVSTJZSA-N 2 1 324.468 3.225 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655689671 436575534 /nfs/dbraw/zinc/57/55/34/436575534.db2.gz JPOYNWVCPTUWPP-GOSISDBHSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655689671 436575536 /nfs/dbraw/zinc/57/55/36/436575536.db2.gz JPOYNWVCPTUWPP-GOSISDBHSA-N 2 1 312.461 3.348 20 0 DGADMP c1cn2c(n1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)CCC2 ZINC000655693592 436575552 /nfs/dbraw/zinc/57/55/52/436575552.db2.gz FOICZDPGMHZMQD-LJQANCHMSA-N 2 1 324.472 3.494 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000655689637 436576137 /nfs/dbraw/zinc/57/61/37/436576137.db2.gz IFYCSJCLBUXTMD-OAHLLOKOSA-N 2 1 312.461 3.476 20 0 DGADMP c1ccc(COCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660116248 436591025 /nfs/dbraw/zinc/59/10/25/436591025.db2.gz XKJYYKVJYXDTHI-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660116248 436591026 /nfs/dbraw/zinc/59/10/26/436591026.db2.gz XKJYYKVJYXDTHI-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660116248 436591031 /nfs/dbraw/zinc/59/10/31/436591031.db2.gz XKJYYKVJYXDTHI-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(CCC[NH+](C)C)CC2)C1 ZINC000660159915 436598554 /nfs/dbraw/zinc/59/85/54/436598554.db2.gz YUGOMBXVDYFPPT-HDICACEKSA-N 2 1 309.542 3.018 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1COC(C)(C)C1 ZINC000660166796 436598596 /nfs/dbraw/zinc/59/85/96/436598596.db2.gz UYACMEFJGLXPLU-GOSISDBHSA-N 2 1 317.477 3.187 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000660220085 436607817 /nfs/dbraw/zinc/60/78/17/436607817.db2.gz HFBNDKKFYJQLHC-OALUTQOASA-N 2 1 304.478 3.209 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000660220085 436607820 /nfs/dbraw/zinc/60/78/20/436607820.db2.gz HFBNDKKFYJQLHC-OALUTQOASA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H]([NH2+]Cc1cnc2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256011 436615131 /nfs/dbraw/zinc/61/51/31/436615131.db2.gz HPQKXVGCLYXRKD-JKSUJKDBSA-N 2 1 324.472 3.372 20 0 DGADMP C[C@H]([NH2+]Cc1cnc2ccccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256011 436615134 /nfs/dbraw/zinc/61/51/34/436615134.db2.gz HPQKXVGCLYXRKD-JKSUJKDBSA-N 2 1 324.472 3.372 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000660265611 436616063 /nfs/dbraw/zinc/61/60/63/436616063.db2.gz IFRVLXKNKIYDKY-ZFWWWQNUSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000660265611 436616064 /nfs/dbraw/zinc/61/60/64/436616064.db2.gz IFRVLXKNKIYDKY-ZFWWWQNUSA-N 2 1 306.475 3.253 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343728021 302174945 /nfs/dbraw/zinc/17/49/45/302174945.db2.gz IXXBBLGQQUHKOR-MSOLQXFVSA-N 2 1 315.505 3.156 20 0 DGADMP [NH3+]CC1CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000422759108 303370991 /nfs/dbraw/zinc/37/09/91/303370991.db2.gz OVYRJAQEUUBDKD-UHFFFAOYSA-N 2 1 307.526 3.282 20 0 DGADMP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)cn1 ZINC000528852262 313098429 /nfs/dbraw/zinc/09/84/29/313098429.db2.gz ZROVZXREURSBMX-FUHWJXTLSA-N 2 1 303.450 3.005 20 0 DGADMP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C2CC2)cn1 ZINC000528852262 313098431 /nfs/dbraw/zinc/09/84/31/313098431.db2.gz ZROVZXREURSBMX-FUHWJXTLSA-N 2 1 303.450 3.005 20 0 DGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)OC)c1 ZINC000530212442 313339969 /nfs/dbraw/zinc/33/99/69/313339969.db2.gz SCNJFHPEUAKOSB-QRVBRYPASA-N 2 1 312.413 3.117 20 0 DGADMP CCC[N@H+](Cc1cccnc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000530215919 313340377 /nfs/dbraw/zinc/34/03/77/313340377.db2.gz KHERAALWIVIWEL-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP CCC[N@@H+](Cc1cccnc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000530215919 313340379 /nfs/dbraw/zinc/34/03/79/313340379.db2.gz KHERAALWIVIWEL-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CC2(C)C)c1 ZINC000530230109 313344114 /nfs/dbraw/zinc/34/41/14/313344114.db2.gz CXHFOHKCBFRJGP-QAPCUYQASA-N 2 1 302.462 3.120 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000530469767 313374025 /nfs/dbraw/zinc/37/40/25/313374025.db2.gz ZFHMEGZGSUTNBB-QUCCMNQESA-N 2 1 316.489 3.303 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534972288 313687917 /nfs/dbraw/zinc/68/79/17/313687917.db2.gz MTJROEDFSOMFNQ-GOSISDBHSA-N 2 1 322.880 3.418 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000537448263 313813967 /nfs/dbraw/zinc/81/39/67/313813967.db2.gz OQBLQJCEOFCCOJ-UHFFFAOYSA-N 2 1 316.445 3.257 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000541084328 313994552 /nfs/dbraw/zinc/99/45/52/313994552.db2.gz JJXSMUMYXCZICL-UHFFFAOYSA-N 2 1 312.498 3.162 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000541534791 314020746 /nfs/dbraw/zinc/02/07/46/314020746.db2.gz FAMNLNHFXDPOSB-HVMFNXBNSA-N 2 1 308.510 3.386 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000543597036 314144225 /nfs/dbraw/zinc/14/42/25/314144225.db2.gz VMGFGTRIBMXLLO-LJQANCHMSA-N 2 1 321.428 3.141 20 0 DGADMP CC[C@@H](C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)[NH+]1CCCC1 ZINC000545601917 314259283 /nfs/dbraw/zinc/25/92/83/314259283.db2.gz PLVIBXXDHVUYOX-WBVHZDCISA-N 2 1 322.468 3.477 20 0 DGADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cc2)c1 ZINC000545860747 314271330 /nfs/dbraw/zinc/27/13/30/314271330.db2.gz WSFVBTQGYKCCAJ-OAQYLSRUSA-N 2 1 324.468 3.127 20 0 DGADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)cc2)c1 ZINC000545860747 314271332 /nfs/dbraw/zinc/27/13/32/314271332.db2.gz WSFVBTQGYKCCAJ-OAQYLSRUSA-N 2 1 324.468 3.127 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CC[N@H+](C)C2CCCC2)cc1F ZINC000546336646 314301740 /nfs/dbraw/zinc/30/17/40/314301740.db2.gz KKRGJXDADSOIAK-OAHLLOKOSA-N 2 1 322.468 3.477 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CC[N@@H+](C)C2CCCC2)cc1F ZINC000546336646 314301743 /nfs/dbraw/zinc/30/17/43/314301743.db2.gz KKRGJXDADSOIAK-OAHLLOKOSA-N 2 1 322.468 3.477 20 0 DGADMP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000546566312 314311378 /nfs/dbraw/zinc/31/13/78/314311378.db2.gz LYMOIILJASCIBU-GRTQGXPSSA-N 2 1 316.489 3.307 20 0 DGADMP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000546566312 314311381 /nfs/dbraw/zinc/31/13/81/314311381.db2.gz LYMOIILJASCIBU-GRTQGXPSSA-N 2 1 316.489 3.307 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1)[NH+]1CCCC1 ZINC000550096745 314528339 /nfs/dbraw/zinc/52/83/39/314528339.db2.gz LJPAAEMQNOZCGW-RCCFBDPRSA-N 2 1 324.509 3.353 20 0 DGADMP c1ccc2c(c1)CC(C[NH2+]CCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000562202234 315000583 /nfs/dbraw/zinc/00/05/83/315000583.db2.gz VQVXSOPPLJSFDV-UHFFFAOYSA-N 2 1 320.480 3.439 20 0 DGADMP c1ccc2c(c1)CC(C[NH2+]CCC[N@H+]1CCc3ccccc3C1)C2 ZINC000562202234 315000585 /nfs/dbraw/zinc/00/05/85/315000585.db2.gz VQVXSOPPLJSFDV-UHFFFAOYSA-N 2 1 320.480 3.439 20 0 DGADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614065 315036162 /nfs/dbraw/zinc/03/61/62/315036162.db2.gz LSGFLKDRYREYOG-WIYYLYMNSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614065 315036164 /nfs/dbraw/zinc/03/61/64/315036164.db2.gz LSGFLKDRYREYOG-WIYYLYMNSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c[nH+]ccc1N ZINC000562956736 315065274 /nfs/dbraw/zinc/06/52/74/315065274.db2.gz ZGOKYWHXVRAOSJ-IQMDTDKHSA-N 2 1 305.784 3.493 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)C1 ZINC000563135617 315082652 /nfs/dbraw/zinc/08/26/52/315082652.db2.gz RPUQWKPDQQGUKZ-OXQOHEQNSA-N 3 1 315.505 3.278 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000564211060 315162390 /nfs/dbraw/zinc/16/23/90/315162390.db2.gz OKHGBSIULSEUAJ-GJZGRUSLSA-N 2 1 315.486 3.475 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000565082938 315228603 /nfs/dbraw/zinc/22/86/03/315228603.db2.gz MMIWVTLSLQQICF-IBGZPJMESA-N 2 1 302.462 3.188 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000565082938 315228606 /nfs/dbraw/zinc/22/86/06/315228606.db2.gz MMIWVTLSLQQICF-IBGZPJMESA-N 2 1 302.462 3.188 20 0 DGADMP C[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)OCc1ccccc1 ZINC000565175297 315237917 /nfs/dbraw/zinc/23/79/17/315237917.db2.gz VLUHRMUPEGTLLQ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)OCc1ccccc1 ZINC000565175297 315237920 /nfs/dbraw/zinc/23/79/20/315237920.db2.gz VLUHRMUPEGTLLQ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H](CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)OCc1ccccc1 ZINC000565175297 315237922 /nfs/dbraw/zinc/23/79/22/315237922.db2.gz VLUHRMUPEGTLLQ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H](CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)OCc1ccccc1 ZINC000565175297 315237925 /nfs/dbraw/zinc/23/79/25/315237925.db2.gz VLUHRMUPEGTLLQ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000565259966 315248057 /nfs/dbraw/zinc/24/80/57/315248057.db2.gz RMYVEYLMZYWNOL-SLFFLAALSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000565259966 315248058 /nfs/dbraw/zinc/24/80/58/315248058.db2.gz RMYVEYLMZYWNOL-SLFFLAALSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000565290672 315250420 /nfs/dbraw/zinc/25/04/20/315250420.db2.gz QYNVHQCODFAMLR-MRXNPFEDSA-N 2 1 301.478 3.028 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000565290672 315250422 /nfs/dbraw/zinc/25/04/22/315250422.db2.gz QYNVHQCODFAMLR-MRXNPFEDSA-N 2 1 301.478 3.028 20 0 DGADMP CCC[N@H+](CCCc1c[nH+]cn1C)CCc1cccc(F)c1 ZINC000566419110 315343437 /nfs/dbraw/zinc/34/34/37/315343437.db2.gz PXXBMRCMRUBYEY-UHFFFAOYSA-N 2 1 303.425 3.447 20 0 DGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CCc1cccc(F)c1 ZINC000566419110 315343439 /nfs/dbraw/zinc/34/34/39/315343439.db2.gz PXXBMRCMRUBYEY-UHFFFAOYSA-N 2 1 303.425 3.447 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCN(CCc3c(F)cccc3Cl)C2)C1 ZINC000567029660 315391291 /nfs/dbraw/zinc/39/12/91/315391291.db2.gz GNAJPLLQGCQQFA-QGZVFWFLSA-N 2 1 310.844 3.439 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000568179761 315487327 /nfs/dbraw/zinc/48/73/27/315487327.db2.gz GCNGAMQKYNMHRD-IRXDYDNUSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000570086591 315623855 /nfs/dbraw/zinc/62/38/55/315623855.db2.gz AGJKGVQNPBMMIO-UHFFFAOYSA-N 2 1 314.433 3.122 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165465 316101426 /nfs/dbraw/zinc/10/14/26/316101426.db2.gz GRAJGBUJWCVLHJ-AWEZNQCLSA-N 2 1 324.440 3.007 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506654 316137122 /nfs/dbraw/zinc/13/71/22/316137122.db2.gz SEGCVURRSQIFGV-MSOLQXFVSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506654 316137127 /nfs/dbraw/zinc/13/71/27/316137127.db2.gz SEGCVURRSQIFGV-MSOLQXFVSA-N 2 1 304.478 3.127 20 0 DGADMP CC(C)[NH2+]CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000576976128 316189344 /nfs/dbraw/zinc/18/93/44/316189344.db2.gz NSMASHCCRCRNER-UHFFFAOYSA-N 3 1 317.521 3.407 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C12CCCC2 ZINC000181700053 323265152 /nfs/dbraw/zinc/26/51/52/323265152.db2.gz SFGVVMRVNPKALV-RCCFBDPRSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000183741323 323347017 /nfs/dbraw/zinc/34/70/17/323347017.db2.gz SMXGVAXEELAQTA-QZTJIDSGSA-N 2 1 308.510 3.437 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000183960871 323351473 /nfs/dbraw/zinc/35/14/73/323351473.db2.gz YMAZALGWOLIMIT-JFIYKMOQSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682297 323393347 /nfs/dbraw/zinc/39/33/47/323393347.db2.gz YISRRHCCYDPXEL-WMZOPIPTSA-N 2 1 315.505 3.495 20 0 DGADMP C[C@@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748656 323394517 /nfs/dbraw/zinc/39/45/17/323394517.db2.gz VMCSTHVYPNKHQB-HZPDHXFCSA-N 2 1 320.452 3.447 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000580875337 324048353 /nfs/dbraw/zinc/04/83/53/324048353.db2.gz LEAAHRBHVBQAKG-MRXNPFEDSA-N 2 1 304.478 3.433 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000581549049 324128855 /nfs/dbraw/zinc/12/88/55/324128855.db2.gz NRVGFRRNEMOHGL-RBUKOAKNSA-N 2 1 310.441 3.150 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581548435 324128947 /nfs/dbraw/zinc/12/89/47/324128947.db2.gz HOMFIUWXPIGHNV-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581548435 324128950 /nfs/dbraw/zinc/12/89/50/324128950.db2.gz HOMFIUWXPIGHNV-LJQANCHMSA-N 2 1 302.462 3.297 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000581938025 324170322 /nfs/dbraw/zinc/17/03/22/324170322.db2.gz XKWDCEXPVMUMDV-IAGOWNOFSA-N 2 1 303.450 3.153 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000582062561 324184997 /nfs/dbraw/zinc/18/49/97/324184997.db2.gz OUJASCANYCZHOS-CHWSQXEVSA-N 2 1 300.368 3.480 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000582150563 324195938 /nfs/dbraw/zinc/19/59/38/324195938.db2.gz GVBZUGZOSDZVPB-SUNYJGFJSA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000582150563 324195941 /nfs/dbraw/zinc/19/59/41/324195941.db2.gz GVBZUGZOSDZVPB-SUNYJGFJSA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000582150563 324195946 /nfs/dbraw/zinc/19/59/46/324195946.db2.gz GVBZUGZOSDZVPB-SUNYJGFJSA-N 2 1 324.896 3.219 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000582150563 324195949 /nfs/dbraw/zinc/19/59/49/324195949.db2.gz GVBZUGZOSDZVPB-SUNYJGFJSA-N 2 1 324.896 3.219 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2CCC2CCCC2)n1 ZINC000582551589 324244945 /nfs/dbraw/zinc/24/49/45/324244945.db2.gz XXZDMBWRHIEOFU-AWEZNQCLSA-N 2 1 306.454 3.198 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000584485620 337349572 /nfs/dbraw/zinc/34/95/72/337349572.db2.gz NVLIVWQNJMQCKR-RLLQIKCJSA-N 2 1 321.553 3.494 20 0 DGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)sc1Br ZINC000415053902 533735344 /nfs/dbraw/zinc/73/53/44/533735344.db2.gz KUHKFAFNAQUJSS-SNVBAGLBSA-N 2 1 305.285 3.282 20 0 DGADMP COc1cc(C[NH+]2CC[C@H](C)C2)cc(C[N@H+]2CC[C@H](C)C2)c1 ZINC000432816514 533821793 /nfs/dbraw/zinc/82/17/93/533821793.db2.gz QPCKSGUJPOUZFF-HOTGVXAUSA-N 2 1 302.462 3.379 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415013958 533951661 /nfs/dbraw/zinc/95/16/61/533951661.db2.gz ZAMJUKXLBLESST-RSPOEFSDSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415013958 533951667 /nfs/dbraw/zinc/95/16/67/533951667.db2.gz ZAMJUKXLBLESST-RSPOEFSDSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442781662 534133011 /nfs/dbraw/zinc/13/30/11/534133011.db2.gz OPMJJVPBBIMGGW-GRYCIOLGSA-N 2 1 320.824 3.120 20 0 DGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442781662 534133016 /nfs/dbraw/zinc/13/30/16/534133016.db2.gz OPMJJVPBBIMGGW-GRYCIOLGSA-N 2 1 320.824 3.120 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)s2)o1 ZINC000442919913 534217010 /nfs/dbraw/zinc/21/70/10/534217010.db2.gz KJHQULFIGUJNGW-ZDUSSCGKSA-N 2 1 305.447 3.272 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)O1 ZINC000309700452 534242841 /nfs/dbraw/zinc/24/28/41/534242841.db2.gz FVIYPBYOXPEEMU-YHUYVZNPSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309736438 534414997 /nfs/dbraw/zinc/41/49/97/534414997.db2.gz QRKSMZPKXMCWCR-IBGZPJMESA-N 2 1 309.457 3.392 20 0 DGADMP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415042940 534450677 /nfs/dbraw/zinc/45/06/77/534450677.db2.gz QYEMVUNIRSKLAI-HNNXBMFYSA-N 2 1 320.433 3.022 20 0 DGADMP C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430936655 534471287 /nfs/dbraw/zinc/47/12/87/534471287.db2.gz VPPPPNGOGXPQDQ-YLJYHZDGSA-N 2 1 324.468 3.462 20 0 DGADMP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000415078690 534488273 /nfs/dbraw/zinc/48/82/73/534488273.db2.gz GTGWVTSUCIBPQZ-SMDDNHRTSA-N 2 1 304.331 3.408 20 0 DGADMP Fc1cccc(Oc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cn2)c1 ZINC000415109571 534526357 /nfs/dbraw/zinc/52/63/57/534526357.db2.gz PSMWOBDGJUUJEV-CQSZACIVSA-N 2 1 315.392 3.102 20 0 DGADMP Clc1ccccc1C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423425718 534652507 /nfs/dbraw/zinc/65/25/07/534652507.db2.gz GXGVRNCFGMCIMN-WTTBNOFXSA-N 2 1 318.873 3.493 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000443062246 534654544 /nfs/dbraw/zinc/65/45/44/534654544.db2.gz UAXZVNTVCXTSRG-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC2CCOCC2)CC1 ZINC000292832848 534711523 /nfs/dbraw/zinc/71/15/23/534711523.db2.gz DSXMVXRRRQBFAV-UHFFFAOYSA-N 2 1 304.434 3.050 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@H+]1C ZINC000157422740 524809887 /nfs/dbraw/zinc/80/98/87/524809887.db2.gz ZWYPRKGSDYFVJB-JSGCOSHPSA-N 2 1 303.837 3.461 20 0 DGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414797477 526887438 /nfs/dbraw/zinc/88/74/38/526887438.db2.gz YPQRXKCPRSDRBS-UHFFFAOYSA-N 2 1 312.461 3.011 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000431070709 527259668 /nfs/dbraw/zinc/25/96/68/527259668.db2.gz QZBQXNJCQVUUQN-HNNXBMFYSA-N 2 1 314.433 3.033 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000431070709 527259677 /nfs/dbraw/zinc/25/96/77/527259677.db2.gz QZBQXNJCQVUUQN-HNNXBMFYSA-N 2 1 314.433 3.033 20 0 DGADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415037226 527468103 /nfs/dbraw/zinc/46/81/03/527468103.db2.gz MQAGLMFNPGLBJJ-CGDKBXKTSA-N 2 1 320.436 3.086 20 0 DGADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442875242 527858962 /nfs/dbraw/zinc/85/89/62/527858962.db2.gz NPCZFRCBWCOPSE-MSOLQXFVSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423150967 527887919 /nfs/dbraw/zinc/88/79/19/527887919.db2.gz JLXGTDKINZDAHN-HOTGVXAUSA-N 2 1 314.477 3.170 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000427872105 527986560 /nfs/dbraw/zinc/98/65/60/527986560.db2.gz WXEJMWQJKCGALG-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000427872105 527986568 /nfs/dbraw/zinc/98/65/68/527986568.db2.gz WXEJMWQJKCGALG-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000427872105 527986577 /nfs/dbraw/zinc/98/65/77/527986577.db2.gz WXEJMWQJKCGALG-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000444595009 528070498 /nfs/dbraw/zinc/07/04/98/528070498.db2.gz NBVNNCHYHCXKEN-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)c1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442873871 528140791 /nfs/dbraw/zinc/14/07/91/528140791.db2.gz PUMAUSMFUNOEMG-KRWDZBQOSA-N 2 1 317.521 3.487 20 0 DGADMP CC[NH+](CC)CCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421835409 528163399 /nfs/dbraw/zinc/16/33/99/528163399.db2.gz MMEBKJFGMBKOQJ-UHFFFAOYSA-N 2 1 322.518 3.094 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000435390954 528233619 /nfs/dbraw/zinc/23/36/19/528233619.db2.gz UVRQZAUAIVWIPZ-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000435390954 528233621 /nfs/dbraw/zinc/23/36/21/528233621.db2.gz UVRQZAUAIVWIPZ-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)c1O ZINC000297479597 528275247 /nfs/dbraw/zinc/27/52/47/528275247.db2.gz SAKCNVSNKYPBKX-AGUYFDCRSA-N 2 1 324.852 3.159 20 0 DGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)c1O ZINC000297479597 528275254 /nfs/dbraw/zinc/27/52/54/528275254.db2.gz SAKCNVSNKYPBKX-AGUYFDCRSA-N 2 1 324.852 3.159 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1OCC ZINC000415137759 528613084 /nfs/dbraw/zinc/61/30/84/528613084.db2.gz YKABMNMAVAAPEH-NVXWUHKLSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1OCC ZINC000415137759 528613085 /nfs/dbraw/zinc/61/30/85/528613085.db2.gz YKABMNMAVAAPEH-NVXWUHKLSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435446618 528624411 /nfs/dbraw/zinc/62/44/11/528624411.db2.gz KZEHLSRNGLIUDZ-MRXNPFEDSA-N 2 1 306.450 3.058 20 0 DGADMP CCCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC ZINC000415059126 528625865 /nfs/dbraw/zinc/62/58/65/528625865.db2.gz WROAMFOUZXPPKH-MRXNPFEDSA-N 2 1 306.450 3.091 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000430560252 528860593 /nfs/dbraw/zinc/86/05/93/528860593.db2.gz GJSATRZJUTXKGA-CQSZACIVSA-N 2 1 304.356 3.091 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000429230170 528862889 /nfs/dbraw/zinc/86/28/89/528862889.db2.gz KHVWMOREFPECGI-QGZVFWFLSA-N 2 1 306.498 3.032 20 0 DGADMP CCCn1ccnc1CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000429230170 528862893 /nfs/dbraw/zinc/86/28/93/528862893.db2.gz KHVWMOREFPECGI-QGZVFWFLSA-N 2 1 306.498 3.032 20 0 DGADMP CCCn1ccnc1CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000429230170 528862897 /nfs/dbraw/zinc/86/28/97/528862897.db2.gz KHVWMOREFPECGI-QGZVFWFLSA-N 2 1 306.498 3.032 20 0 DGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432409170 529033593 /nfs/dbraw/zinc/03/35/93/529033593.db2.gz FHIVLKFMLPKGKB-QUCCMNQESA-N 2 1 318.505 3.344 20 0 DGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409170 529033602 /nfs/dbraw/zinc/03/36/02/529033602.db2.gz FHIVLKFMLPKGKB-QUCCMNQESA-N 2 1 318.505 3.344 20 0 DGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000430712455 529336047 /nfs/dbraw/zinc/33/60/47/529336047.db2.gz ZUXXWZISVQICDA-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000452083421 535200183 /nfs/dbraw/zinc/20/01/83/535200183.db2.gz TYHFLFHEHXMYND-GOSISDBHSA-N 2 1 309.542 3.161 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000459389326 535282428 /nfs/dbraw/zinc/28/24/28/535282428.db2.gz HJJQSUPNVLTEBY-AWEZNQCLSA-N 2 1 317.433 3.111 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000472293804 535548822 /nfs/dbraw/zinc/54/88/22/535548822.db2.gz NQKOQLQUGMWPFT-IEBWSBKVSA-N 2 1 304.478 3.489 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2cccc(F)c2)C1 ZINC000490036146 536181090 /nfs/dbraw/zinc/18/10/90/536181090.db2.gz DYOZNXJJRFYCKI-SFHVURJKSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000490036146 536181093 /nfs/dbraw/zinc/18/10/93/536181093.db2.gz DYOZNXJJRFYCKI-SFHVURJKSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000490036146 536181100 /nfs/dbraw/zinc/18/11/00/536181100.db2.gz DYOZNXJJRFYCKI-SFHVURJKSA-N 2 1 304.453 3.422 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000449478992 536854946 /nfs/dbraw/zinc/85/49/46/536854946.db2.gz LEAIBGJWAMDGIK-CGTJXYLNSA-N 2 1 322.880 3.286 20 0 DGADMP COCC[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000088505036 545809976 /nfs/dbraw/zinc/80/99/76/545809976.db2.gz PIVUDLWBVKGVTI-KRWDZBQOSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](C1CC1)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000092009411 545843663 /nfs/dbraw/zinc/84/36/63/545843663.db2.gz UWVJWYVKTXHDDI-HNNXBMFYSA-N 2 1 302.462 3.390 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000164577395 546089103 /nfs/dbraw/zinc/08/91/03/546089103.db2.gz YNTAQOUUWXLMDT-OAHLLOKOSA-N 2 1 315.461 3.129 20 0 DGADMP CC(C)COc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166295005 546094441 /nfs/dbraw/zinc/09/44/41/546094441.db2.gz ZKYFKKCOEKQZCJ-QZTJIDSGSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166295005 546094446 /nfs/dbraw/zinc/09/44/46/546094446.db2.gz ZKYFKKCOEKQZCJ-QZTJIDSGSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166295005 546094448 /nfs/dbraw/zinc/09/44/48/546094448.db2.gz ZKYFKKCOEKQZCJ-QZTJIDSGSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000166748488 546096124 /nfs/dbraw/zinc/09/61/24/546096124.db2.gz GIJCKMNKJKEOAA-CGTJXYLNSA-N 2 1 310.445 3.150 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000180113178 546141299 /nfs/dbraw/zinc/14/12/99/546141299.db2.gz HEZWLOABRIOADP-CQSZACIVSA-N 2 1 300.450 3.409 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180337250 546144648 /nfs/dbraw/zinc/14/46/48/546144648.db2.gz UOEPNZZMWCECRK-HIFRSBDPSA-N 2 1 318.490 3.342 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180337250 546144654 /nfs/dbraw/zinc/14/46/54/546144654.db2.gz UOEPNZZMWCECRK-HIFRSBDPSA-N 2 1 318.490 3.342 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]CC(C)(C)c2ccccc2)C[C@H](C)O1 ZINC000181716863 546160035 /nfs/dbraw/zinc/16/00/35/546160035.db2.gz FVVSEGKPFXOZDT-HDICACEKSA-N 2 1 318.505 3.443 20 0 DGADMP COc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1F ZINC000192667437 546235651 /nfs/dbraw/zinc/23/56/51/546235651.db2.gz XGOXIKCCZZCJLZ-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000280073887 546378740 /nfs/dbraw/zinc/37/87/40/546378740.db2.gz LDLOXHYVIKFHGU-QUCCMNQESA-N 2 1 323.484 3.433 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000281314592 546386068 /nfs/dbraw/zinc/38/60/68/546386068.db2.gz SDUDDCFYDKANHE-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000281314592 546386073 /nfs/dbraw/zinc/38/60/73/546386073.db2.gz SDUDDCFYDKANHE-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000281378084 546386996 /nfs/dbraw/zinc/38/69/96/546386996.db2.gz XAHKZPUCBCAOGC-JKSUJKDBSA-N 2 1 323.444 3.364 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000324009832 546478574 /nfs/dbraw/zinc/47/85/74/546478574.db2.gz NUFIJAJYWHPHSF-JXFKEZNVSA-N 2 1 310.441 3.409 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000339071603 546533070 /nfs/dbraw/zinc/53/30/70/546533070.db2.gz SIIIPRYVUGVLLH-WDYCEAGBSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339073219 546533561 /nfs/dbraw/zinc/53/35/61/546533561.db2.gz BBNGASRUZVIMFT-RLLQIKCJSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000339073219 546533567 /nfs/dbraw/zinc/53/35/67/546533567.db2.gz BBNGASRUZVIMFT-RLLQIKCJSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000339073219 546533574 /nfs/dbraw/zinc/53/35/74/546533574.db2.gz BBNGASRUZVIMFT-RLLQIKCJSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339073219 546533580 /nfs/dbraw/zinc/53/35/80/546533580.db2.gz BBNGASRUZVIMFT-RLLQIKCJSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339073219 546533586 /nfs/dbraw/zinc/53/35/86/546533586.db2.gz BBNGASRUZVIMFT-RLLQIKCJSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000339073219 546533588 /nfs/dbraw/zinc/53/35/88/546533588.db2.gz BBNGASRUZVIMFT-RLLQIKCJSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000339073219 546533593 /nfs/dbraw/zinc/53/35/93/546533593.db2.gz BBNGASRUZVIMFT-RLLQIKCJSA-N 3 1 315.505 3.113 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C3CCC3)cc2)CC1(C)C ZINC000339386750 546539637 /nfs/dbraw/zinc/53/96/37/546539637.db2.gz BACXOMHBVMQDPJ-UHFFFAOYSA-N 2 1 315.505 3.070 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@@H+]1C ZINC000347201581 546583118 /nfs/dbraw/zinc/58/31/18/546583118.db2.gz LBWMFKHGHPVTIH-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000347201581 546583123 /nfs/dbraw/zinc/58/31/23/546583123.db2.gz LBWMFKHGHPVTIH-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@H]3C3CC3)CCCC2)CC1 ZINC000348119237 546586175 /nfs/dbraw/zinc/58/61/75/546586175.db2.gz NSJDDFRJXLXIJL-ROUUACIJSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@H+](CCO)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000353254276 546659657 /nfs/dbraw/zinc/65/96/57/546659657.db2.gz NFFBEAPFMFKIQG-UHFFFAOYSA-N 2 1 324.468 3.242 20 0 DGADMP C[N@@H+](CCO)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000353254276 546659664 /nfs/dbraw/zinc/65/96/64/546659664.db2.gz NFFBEAPFMFKIQG-UHFFFAOYSA-N 2 1 324.468 3.242 20 0 DGADMP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)n1 ZINC000359706283 546711937 /nfs/dbraw/zinc/71/19/37/546711937.db2.gz QDMINKVFZBKWGB-RDTXWAMCSA-N 2 1 310.445 3.416 20 0 DGADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000359706283 546711941 /nfs/dbraw/zinc/71/19/41/546711941.db2.gz QDMINKVFZBKWGB-RDTXWAMCSA-N 2 1 310.445 3.416 20 0 DGADMP OC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411768908 546772152 /nfs/dbraw/zinc/77/21/52/546772152.db2.gz JJXWIPOEEOMODY-SFHVURJKSA-N 2 1 316.489 3.267 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414138678 546780501 /nfs/dbraw/zinc/78/05/01/546780501.db2.gz HOBHJKNQUUYJBU-OKYOBFRVSA-N 2 1 302.462 3.368 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414138678 546780505 /nfs/dbraw/zinc/78/05/05/546780505.db2.gz HOBHJKNQUUYJBU-OKYOBFRVSA-N 2 1 302.462 3.368 20 0 DGADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000414183960 546780821 /nfs/dbraw/zinc/78/08/21/546780821.db2.gz NNYNBEFJCGDKET-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000414183960 546780825 /nfs/dbraw/zinc/78/08/25/546780825.db2.gz NNYNBEFJCGDKET-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000414183960 546780831 /nfs/dbraw/zinc/78/08/31/546780831.db2.gz NNYNBEFJCGDKET-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414183960 546780836 /nfs/dbraw/zinc/78/08/36/546780836.db2.gz NNYNBEFJCGDKET-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414183960 546780842 /nfs/dbraw/zinc/78/08/42/546780842.db2.gz NNYNBEFJCGDKET-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414798367 546787927 /nfs/dbraw/zinc/78/79/27/546787927.db2.gz QGZIFLPEIHASRE-AWEZNQCLSA-N 2 1 322.250 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414909019 546789688 /nfs/dbraw/zinc/78/96/88/546789688.db2.gz BTGGQUMXEOTLAO-KGLIPLIRSA-N 2 1 307.869 3.300 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000414931049 546791458 /nfs/dbraw/zinc/79/14/58/546791458.db2.gz UAQHUIICMXEUJD-VXGBXAGGSA-N 2 1 317.658 3.462 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC2 ZINC000453408189 546861472 /nfs/dbraw/zinc/86/14/72/546861472.db2.gz SKXWESTWRRFKER-QGZVFWFLSA-N 2 1 318.461 3.155 20 0 DGADMP CN1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1c1ccccc1 ZINC000453420106 546861591 /nfs/dbraw/zinc/86/15/91/546861591.db2.gz ZDDMMTZQQPXXEN-ICSRJNTNSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+](CCCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420106 546861592 /nfs/dbraw/zinc/86/15/92/546861592.db2.gz ZDDMMTZQQPXXEN-ICSRJNTNSA-N 3 1 315.505 3.286 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420106 546861595 /nfs/dbraw/zinc/86/15/95/546861595.db2.gz ZDDMMTZQQPXXEN-ICSRJNTNSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420106 546861599 /nfs/dbraw/zinc/86/15/99/546861599.db2.gz ZDDMMTZQQPXXEN-ICSRJNTNSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420106 546861602 /nfs/dbraw/zinc/86/16/02/546861602.db2.gz ZDDMMTZQQPXXEN-ICSRJNTNSA-N 3 1 315.505 3.286 20 0 DGADMP CN1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000453420105 546861686 /nfs/dbraw/zinc/86/16/86/546861686.db2.gz ZDDMMTZQQPXXEN-AZUAARDMSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+](CCCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420105 546861689 /nfs/dbraw/zinc/86/16/89/546861689.db2.gz ZDDMMTZQQPXXEN-AZUAARDMSA-N 3 1 315.505 3.286 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420105 546861691 /nfs/dbraw/zinc/86/16/91/546861691.db2.gz ZDDMMTZQQPXXEN-AZUAARDMSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420105 546861696 /nfs/dbraw/zinc/86/16/96/546861696.db2.gz ZDDMMTZQQPXXEN-AZUAARDMSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420105 546861699 /nfs/dbraw/zinc/86/16/99/546861699.db2.gz ZDDMMTZQQPXXEN-AZUAARDMSA-N 3 1 315.505 3.286 20 0 DGADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972312 546936522 /nfs/dbraw/zinc/93/65/22/546936522.db2.gz KPSRMWFAKKBSLJ-ZBFHGGJFSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972312 546936530 /nfs/dbraw/zinc/93/65/30/546936530.db2.gz KPSRMWFAKKBSLJ-ZBFHGGJFSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000494972312 546936533 /nfs/dbraw/zinc/93/65/33/546936533.db2.gz KPSRMWFAKKBSLJ-ZBFHGGJFSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000494972312 546936538 /nfs/dbraw/zinc/93/65/38/546936538.db2.gz KPSRMWFAKKBSLJ-ZBFHGGJFSA-N 2 1 317.502 3.469 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551176967 546996710 /nfs/dbraw/zinc/99/67/10/546996710.db2.gz NQGMJGPULWTMLX-NJYVYQBISA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551176967 546996714 /nfs/dbraw/zinc/99/67/14/546996714.db2.gz NQGMJGPULWTMLX-NJYVYQBISA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567066799 547006949 /nfs/dbraw/zinc/00/69/49/547006949.db2.gz AZVZFLKGLJIGTF-NJDAHSKKSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567066799 547006952 /nfs/dbraw/zinc/00/69/52/547006952.db2.gz AZVZFLKGLJIGTF-NJDAHSKKSA-N 2 1 324.468 3.015 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000667502009 547204301 /nfs/dbraw/zinc/20/43/01/547204301.db2.gz QUTPIZPITMZKQS-UHFFFAOYSA-N 2 1 318.509 3.241 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000667667147 547267718 /nfs/dbraw/zinc/26/77/18/547267718.db2.gz GJIHBGCUFLRUNP-BQFCYCMXSA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000667667147 547267726 /nfs/dbraw/zinc/26/77/26/547267726.db2.gz GJIHBGCUFLRUNP-BQFCYCMXSA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000667667147 547267728 /nfs/dbraw/zinc/26/77/28/547267728.db2.gz GJIHBGCUFLRUNP-BQFCYCMXSA-N 2 1 320.477 3.015 20 0 DGADMP Cc1[nH+]cc(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)n1C ZINC000667670740 547269025 /nfs/dbraw/zinc/26/90/25/547269025.db2.gz XSRNXNRPAAKSOU-HNAYVOBHSA-N 2 1 313.445 3.307 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(C)(C)C ZINC000668489970 547466876 /nfs/dbraw/zinc/46/68/76/547466876.db2.gz OPGDVMYDMJREFY-QAPCUYQASA-N 2 1 304.478 3.025 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000668675429 547506222 /nfs/dbraw/zinc/50/62/22/547506222.db2.gz BMNVCNVCAPENCT-ROUUACIJSA-N 2 1 300.446 3.003 20 0 DGADMP CC[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785793 547541478 /nfs/dbraw/zinc/54/14/78/547541478.db2.gz XLQAFQOHRNGYDY-IEBWSBKVSA-N 2 1 304.478 3.223 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000670268875 547742243 /nfs/dbraw/zinc/74/22/43/547742243.db2.gz GMSQVTWNVVODBK-LPHOPBHVSA-N 2 1 318.505 3.415 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671739704 547821859 /nfs/dbraw/zinc/82/18/59/547821859.db2.gz YNULDKJCIQDDOH-LBPRGKRZSA-N 2 1 303.406 3.058 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671739703 547822582 /nfs/dbraw/zinc/82/25/82/547822582.db2.gz YNULDKJCIQDDOH-GFCCVEGCSA-N 2 1 303.406 3.058 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000671750147 547825932 /nfs/dbraw/zinc/82/59/32/547825932.db2.gz YOZHMRCDAZJYOS-DLBZAZTESA-N 2 1 302.466 3.086 20 0 DGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(C)(C)O ZINC000671756061 547828209 /nfs/dbraw/zinc/82/82/09/547828209.db2.gz MZOCBCUROXGXDQ-ZLPCBKJTSA-N 2 1 304.478 3.179 20 0 DGADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000672624096 547898124 /nfs/dbraw/zinc/89/81/24/547898124.db2.gz FLNPLHTWBXGXQM-OGWHTMIXSA-N 2 1 314.473 3.449 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000674877977 548128572 /nfs/dbraw/zinc/12/85/72/548128572.db2.gz CNWQUVIOTRDDTP-CQSZACIVSA-N 2 1 316.424 3.036 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675841282 548282029 /nfs/dbraw/zinc/28/20/29/548282029.db2.gz KKQDZKSKRJCPGU-SJORKVTESA-N 3 1 309.542 3.207 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675841282 548282034 /nfs/dbraw/zinc/28/20/34/548282034.db2.gz KKQDZKSKRJCPGU-SJORKVTESA-N 3 1 309.542 3.207 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000675881497 548283074 /nfs/dbraw/zinc/28/30/74/548283074.db2.gz MIAKMFOQQFYVJM-UYAOXDASSA-N 2 1 314.473 3.215 20 0 DGADMP CC(C)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000675881421 548283331 /nfs/dbraw/zinc/28/33/31/548283331.db2.gz LCMDPOMLQHJSQS-FAFZWHIHSA-N 2 1 308.510 3.434 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000675881783 548283357 /nfs/dbraw/zinc/28/33/57/548283357.db2.gz NHVWKCPMBBOEOI-HKUYNNGSSA-N 2 1 318.436 3.046 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000675897718 548286902 /nfs/dbraw/zinc/28/69/02/548286902.db2.gz VCRNBPQGZCYMIG-IEBWSBKVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000675897718 548286905 /nfs/dbraw/zinc/28/69/05/548286905.db2.gz VCRNBPQGZCYMIG-IEBWSBKVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000675897718 548286907 /nfs/dbraw/zinc/28/69/07/548286907.db2.gz VCRNBPQGZCYMIG-IEBWSBKVSA-N 2 1 302.462 3.098 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675934677 548295070 /nfs/dbraw/zinc/29/50/70/548295070.db2.gz RIVHCRDRGXVKFK-IJXRJRJASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675934677 548295075 /nfs/dbraw/zinc/29/50/75/548295075.db2.gz RIVHCRDRGXVKFK-IJXRJRJASA-N 2 1 316.489 3.180 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236928 548472956 /nfs/dbraw/zinc/47/29/56/548472956.db2.gz LVEOFDVVPGAYNM-MSOLQXFVSA-N 2 1 302.462 3.370 20 0 DGADMP CC(C)OCc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237676 548473389 /nfs/dbraw/zinc/47/33/89/548473389.db2.gz NMSVJIFVJDIENP-OALUTQOASA-N 2 1 302.462 3.328 20 0 DGADMP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237675 548473906 /nfs/dbraw/zinc/47/39/06/548473906.db2.gz NMSVJIFVJDIENP-MOPGFXCFSA-N 2 1 302.462 3.328 20 0 DGADMP C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121469 548618088 /nfs/dbraw/zinc/61/80/88/548618088.db2.gz MNYFJAHFERYERQ-INIZCTEOSA-N 2 1 313.445 3.005 20 0 DGADMP C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121469 548618092 /nfs/dbraw/zinc/61/80/92/548618092.db2.gz MNYFJAHFERYERQ-INIZCTEOSA-N 2 1 313.445 3.005 20 0 DGADMP Clc1ccccc1-c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678342872 548684357 /nfs/dbraw/zinc/68/43/57/548684357.db2.gz DLLGFWMFCDUFRO-STQMWFEESA-N 2 1 302.805 3.251 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(C)c1 ZINC000678593901 548735618 /nfs/dbraw/zinc/73/56/18/548735618.db2.gz BCJIKUJZKORPQY-OKZBNKHCSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000678603157 548738738 /nfs/dbraw/zinc/73/87/38/548738738.db2.gz LUIJNQKGBZHLMT-PMACEKPBSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@H](CCCCO)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000679357063 548884949 /nfs/dbraw/zinc/88/49/49/548884949.db2.gz UXUBRPRGLUBDMC-QWFCFKBJSA-N 2 1 318.505 3.428 20 0 DGADMP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000679395757 548893406 /nfs/dbraw/zinc/89/34/06/548893406.db2.gz ZEXBNLQPGJDSAV-INIZCTEOSA-N 2 1 316.470 3.456 20 0 DGADMP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000679395757 548893409 /nfs/dbraw/zinc/89/34/09/548893409.db2.gz ZEXBNLQPGJDSAV-INIZCTEOSA-N 2 1 316.470 3.456 20 0 DGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CSC1 ZINC000679626414 548925669 /nfs/dbraw/zinc/92/56/69/548925669.db2.gz YQBCGUZXXUVEHG-UHFFFAOYSA-N 2 1 302.443 3.117 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000680076191 548993679 /nfs/dbraw/zinc/99/36/79/548993679.db2.gz CDSZIWIJXPKHQX-UHFFFAOYSA-N 2 1 302.462 3.242 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000680076191 548993681 /nfs/dbraw/zinc/99/36/81/548993681.db2.gz CDSZIWIJXPKHQX-UHFFFAOYSA-N 2 1 302.462 3.242 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378564 549044277 /nfs/dbraw/zinc/04/42/77/549044277.db2.gz YBNNWQDACHQMNT-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378564 549044280 /nfs/dbraw/zinc/04/42/80/549044280.db2.gz YBNNWQDACHQMNT-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP COC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000680469743 549056127 /nfs/dbraw/zinc/05/61/27/549056127.db2.gz JOOWMXVCDZSKNX-WYRHQLMOSA-N 2 1 314.473 3.054 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681220113 549177171 /nfs/dbraw/zinc/17/71/71/549177171.db2.gz JPGXPWKHDACGGC-UFYCRDLUSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681220113 549177174 /nfs/dbraw/zinc/17/71/74/549177174.db2.gz JPGXPWKHDACGGC-UFYCRDLUSA-N 2 1 318.505 3.284 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@H]2CCOc3ccccc32)CC1 ZINC000682782503 549372712 /nfs/dbraw/zinc/37/27/12/549372712.db2.gz RQXNPLDWZIPLFH-INIZCTEOSA-N 2 1 300.446 3.113 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]CC(C)(C)c2ccccc2)CCCO1 ZINC000683344069 549471172 /nfs/dbraw/zinc/47/11/72/549471172.db2.gz KJZLRMNZTKYSFB-KRWDZBQOSA-N 2 1 304.478 3.055 20 0 DGADMP CC[C@H](Cc1cccs1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000683345473 549472229 /nfs/dbraw/zinc/47/22/29/549472229.db2.gz CPWFMISMXYIFLD-HZPDHXFCSA-N 2 1 310.507 3.160 20 0 DGADMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000683345649 549472325 /nfs/dbraw/zinc/47/23/25/549472325.db2.gz HJJWCJVGQZDDHK-SQGPQFPESA-N 2 1 316.489 3.401 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000684379300 549623145 /nfs/dbraw/zinc/62/31/45/549623145.db2.gz ZPIZIRCTIPHMLH-NEWSRXKRSA-N 2 1 308.510 3.434 20 0 DGADMP [O-]c1cccc2c(N[C@@H]3CCN(c4ccccn4)C3)cc[nH+]c12 ZINC000684579350 549664070 /nfs/dbraw/zinc/66/40/70/549664070.db2.gz IUKPUPZXPLRWTD-CYBMUJFWSA-N 2 1 306.369 3.026 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455717 549762754 /nfs/dbraw/zinc/76/27/54/549762754.db2.gz TUIQCUYAZYSHSH-QWFCFKBJSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455717 549762755 /nfs/dbraw/zinc/76/27/55/549762755.db2.gz TUIQCUYAZYSHSH-QWFCFKBJSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455717 549762757 /nfs/dbraw/zinc/76/27/57/549762757.db2.gz TUIQCUYAZYSHSH-QWFCFKBJSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458399 549763452 /nfs/dbraw/zinc/76/34/52/549763452.db2.gz HDZQQQJBUQQOFH-SFHVURJKSA-N 2 1 309.542 3.162 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4cnccc4c3)C2)CC1 ZINC000685463140 549765431 /nfs/dbraw/zinc/76/54/31/549765431.db2.gz PBOBIBYQAPKWBI-HXUWFJFHSA-N 2 1 309.457 3.399 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000685462799 549765516 /nfs/dbraw/zinc/76/55/16/549765516.db2.gz HRSSQXWKXOMJSL-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000685462799 549765518 /nfs/dbraw/zinc/76/55/18/549765518.db2.gz HRSSQXWKXOMJSL-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375733 574994047 /nfs/dbraw/zinc/99/40/47/574994047.db2.gz VVFSBNQCMQCIDR-HZMBPMFUSA-N 2 1 318.490 3.189 20 0 DGADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375733 574994049 /nfs/dbraw/zinc/99/40/49/574994049.db2.gz VVFSBNQCMQCIDR-HZMBPMFUSA-N 2 1 318.490 3.189 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000743653014 575060172 /nfs/dbraw/zinc/06/01/72/575060172.db2.gz IYFABXGXESUESB-CQSZACIVSA-N 2 1 313.272 3.434 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000743857153 575065898 /nfs/dbraw/zinc/06/58/98/575065898.db2.gz OFVVLOBSNXPFRJ-AABGKKOBSA-N 2 1 316.489 3.020 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000743857153 575065899 /nfs/dbraw/zinc/06/58/99/575065899.db2.gz OFVVLOBSNXPFRJ-AABGKKOBSA-N 2 1 316.489 3.020 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000743862019 575066553 /nfs/dbraw/zinc/06/65/53/575066553.db2.gz BVKZFVWYMKUJOB-ICSRJNTNSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000743862019 575066554 /nfs/dbraw/zinc/06/65/54/575066554.db2.gz BVKZFVWYMKUJOB-ICSRJNTNSA-N 2 1 316.489 3.287 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393661870 575913735 /nfs/dbraw/zinc/91/37/35/575913735.db2.gz RZLRTGOAJRCTAE-GUDVDZBRSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc(C)[nH+]1 ZINC000310483682 575932035 /nfs/dbraw/zinc/93/20/35/575932035.db2.gz FJCLYPNGQZTWGN-GUDVDZBRSA-N 2 1 322.456 3.416 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc(C)[nH+]1 ZINC000310483682 575932039 /nfs/dbraw/zinc/93/20/39/575932039.db2.gz FJCLYPNGQZTWGN-GUDVDZBRSA-N 2 1 322.456 3.416 20 0 DGADMP Fc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1OC(F)F ZINC000852746831 620645457 /nfs/dbraw/zinc/64/54/57/620645457.db2.gz RDYJNVHHNRRXFM-UHFFFAOYSA-N 2 1 314.351 3.003 20 0 DGADMP COc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000892144714 617975664 /nfs/dbraw/zinc/97/56/64/617975664.db2.gz PFZISGRWPMUBRJ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000892144714 617975670 /nfs/dbraw/zinc/97/56/70/617975670.db2.gz PFZISGRWPMUBRJ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000892144714 617975671 /nfs/dbraw/zinc/97/56/71/617975671.db2.gz PFZISGRWPMUBRJ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000892144714 617975675 /nfs/dbraw/zinc/97/56/75/617975675.db2.gz PFZISGRWPMUBRJ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000892144714 617975679 /nfs/dbraw/zinc/97/56/79/617975679.db2.gz PFZISGRWPMUBRJ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP C[NH+]1CCC(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)CC1 ZINC000891918048 617925974 /nfs/dbraw/zinc/92/59/74/617925974.db2.gz NYXHOHNYWYTGKA-UHFFFAOYSA-N 2 1 314.429 3.329 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892122492 617967726 /nfs/dbraw/zinc/96/77/26/617967726.db2.gz WYDDGYXJOYNIRQ-MRXNPFEDSA-N 2 1 301.478 3.124 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892122492 617967728 /nfs/dbraw/zinc/96/77/28/617967728.db2.gz WYDDGYXJOYNIRQ-MRXNPFEDSA-N 2 1 301.478 3.124 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000892224412 617988961 /nfs/dbraw/zinc/98/89/61/617988961.db2.gz DHPPRODYNQDTPI-ZWKOTPCHSA-N 2 1 320.477 3.290 20 0 DGADMP COC1CCC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237442 617992385 /nfs/dbraw/zinc/99/23/85/617992385.db2.gz YXRVYYPZFFXJAN-JZRYZNKLSA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237442 617992391 /nfs/dbraw/zinc/99/23/91/617992391.db2.gz YXRVYYPZFFXJAN-JZRYZNKLSA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237442 617992394 /nfs/dbraw/zinc/99/23/94/617992394.db2.gz YXRVYYPZFFXJAN-JZRYZNKLSA-N 2 1 306.494 3.140 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000892300228 618013517 /nfs/dbraw/zinc/01/35/17/618013517.db2.gz LGHJBMMJJDITHL-CYBMUJFWSA-N 2 1 308.385 3.351 20 0 DGADMP Cn1cc(CNCCC[N@@H+](C)C2CCCCC2)c(C2CC2)n1 ZINC000892450984 618069461 /nfs/dbraw/zinc/06/94/61/618069461.db2.gz MRKARLBYGVOECM-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(C2CC2)n1 ZINC000892450984 618069464 /nfs/dbraw/zinc/06/94/64/618069464.db2.gz MRKARLBYGVOECM-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(C2CC2)n1 ZINC000892450984 618069467 /nfs/dbraw/zinc/06/94/67/618069467.db2.gz MRKARLBYGVOECM-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP COC1CCC(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000892462382 618071674 /nfs/dbraw/zinc/07/16/74/618071674.db2.gz POZYRKATTRGGEG-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP Fc1ccc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000892491918 618081303 /nfs/dbraw/zinc/08/13/03/618081303.db2.gz ICSWOFGRPDARTB-UHFFFAOYSA-N 2 1 306.400 3.427 20 0 DGADMP COC1CCC(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000892509968 618090198 /nfs/dbraw/zinc/09/01/98/618090198.db2.gz ORHDXTUMWFZXLG-UHFFFAOYSA-N 2 1 316.489 3.230 20 0 DGADMP COC1CCC(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000892509968 618090201 /nfs/dbraw/zinc/09/02/01/618090201.db2.gz ORHDXTUMWFZXLG-UHFFFAOYSA-N 2 1 316.489 3.230 20 0 DGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926718699 618094685 /nfs/dbraw/zinc/09/46/85/618094685.db2.gz LXNIZVDQXQEKHG-SUMDDJOVSA-N 2 1 306.494 3.354 20 0 DGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc2c1OCO2 ZINC000924569870 618102170 /nfs/dbraw/zinc/10/21/70/618102170.db2.gz LGDIOXKTGJDKID-LBPRGKRZSA-N 2 1 304.434 3.375 20 0 DGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739221 618103022 /nfs/dbraw/zinc/10/30/22/618103022.db2.gz PMZIDGICQDFAQJ-QYZOEREBSA-N 2 1 308.510 3.029 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000892585882 618112679 /nfs/dbraw/zinc/11/26/79/618112679.db2.gz YKSYRDIYMDMOPU-AWEZNQCLSA-N 2 1 310.511 3.406 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000892585882 618112682 /nfs/dbraw/zinc/11/26/82/618112682.db2.gz YKSYRDIYMDMOPU-AWEZNQCLSA-N 2 1 310.511 3.406 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000854230134 620786551 /nfs/dbraw/zinc/78/65/51/620786551.db2.gz HJOAGTUCORKLNC-BXKDBHETSA-N 2 1 318.234 3.007 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000920181397 620789153 /nfs/dbraw/zinc/78/91/53/620789153.db2.gz VXRANIPZGWKPQQ-GOSISDBHSA-N 2 1 315.505 3.498 20 0 DGADMP Cc1cccc2c1[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000925057231 618301247 /nfs/dbraw/zinc/30/12/47/618301247.db2.gz OTFIEPLLPNOICO-OALUTQOASA-N 2 1 314.473 3.215 20 0 DGADMP C[C@@H]1C[C@@H](Nc2nccn3cncc23)CC[N@H+]1Cc1ccccc1 ZINC000892848066 618327654 /nfs/dbraw/zinc/32/76/54/618327654.db2.gz QUUWNVKDKICFPW-WBVHZDCISA-N 2 1 321.428 3.194 20 0 DGADMP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894483540 618347533 /nfs/dbraw/zinc/34/75/33/618347533.db2.gz LLVOUHALGRMDEY-QGZVFWFLSA-N 2 1 304.482 3.285 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc(C(C)(C)C)co3)C2)CC1 ZINC000894477743 618348787 /nfs/dbraw/zinc/34/87/87/618348787.db2.gz WKQOAFRZJALJLW-OAHLLOKOSA-N 2 1 305.466 3.136 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000894478855 618349923 /nfs/dbraw/zinc/34/99/23/618349923.db2.gz FCBNLZIAVFQWOW-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C)c2C2CC2)c1 ZINC000892937686 618358377 /nfs/dbraw/zinc/35/83/77/618358377.db2.gz HGFPSHGQMZSYOA-UHFFFAOYSA-N 2 1 312.461 3.039 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000925521392 618456664 /nfs/dbraw/zinc/45/66/64/618456664.db2.gz UGSQGEAPFYVOOW-CJNGLKHVSA-N 2 1 301.459 3.083 20 0 DGADMP Cc1csc(CCCC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000925567811 618496158 /nfs/dbraw/zinc/49/61/58/618496158.db2.gz QFDNWLHALRIOCL-PBHICJAKSA-N 2 1 303.475 3.452 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000894914009 618498769 /nfs/dbraw/zinc/49/87/69/618498769.db2.gz RPPBFJOLRGWPGG-LJQANCHMSA-N 2 1 314.473 3.182 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893305719 618505758 /nfs/dbraw/zinc/50/57/58/618505758.db2.gz UHKYEFAAEDHTQY-LRCWTTKQSA-N 2 1 306.425 3.117 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925605786 618506257 /nfs/dbraw/zinc/50/62/57/618506257.db2.gz SQBOHFINYNDPAY-BPQIPLTHSA-N 2 1 318.436 3.407 20 0 DGADMP CCSc1cc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccn1 ZINC000925645013 618518605 /nfs/dbraw/zinc/51/86/05/618518605.db2.gz OWAZEGLHRJZWAH-KBMXLJTQSA-N 2 1 305.491 3.060 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(O)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487710 618570300 /nfs/dbraw/zinc/57/03/00/618570300.db2.gz LNXNSROYPKOVBO-ZFWWWQNUSA-N 2 1 306.425 3.274 20 0 DGADMP COC1CCC(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000893489253 618570855 /nfs/dbraw/zinc/57/08/55/618570855.db2.gz XZQYKZKMDUNPOY-FXQQTDPRSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cnc(-c2ccccc2F)s1)[NH+](C)C ZINC000895292510 618588838 /nfs/dbraw/zinc/58/88/38/618588838.db2.gz FWMKJEBGDRQPLI-LBPRGKRZSA-N 2 1 307.438 3.379 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc(OCc2ccccn2)c1)[NH+](C)C ZINC000895299956 618590598 /nfs/dbraw/zinc/59/05/98/618590598.db2.gz OVTCTWYDDLFBBO-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925834352 618641334 /nfs/dbraw/zinc/64/13/34/618641334.db2.gz VZMUNMZOZRPAOZ-BFHYXJOUSA-N 2 1 305.491 3.032 20 0 DGADMP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861830 618647884 /nfs/dbraw/zinc/64/78/84/618647884.db2.gz UBFPGAYGBVEIJM-IZIZEDOESA-N 3 1 301.478 3.072 20 0 DGADMP C[C@@H]([NH3+])[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861830 618647885 /nfs/dbraw/zinc/64/78/85/618647885.db2.gz UBFPGAYGBVEIJM-IZIZEDOESA-N 2 1 301.478 3.072 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)CCCN2 ZINC000894053946 618700598 /nfs/dbraw/zinc/70/05/98/618700598.db2.gz MEFOJXXOIUNNGP-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)CCCN2 ZINC000894053946 618700600 /nfs/dbraw/zinc/70/06/00/618700600.db2.gz MEFOJXXOIUNNGP-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000924955052 618748756 /nfs/dbraw/zinc/74/87/56/618748756.db2.gz ZZSWCLFQEUEFRX-BLLLJJGKSA-N 2 1 319.836 3.342 20 0 DGADMP Cc1ncoc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000894358868 618771708 /nfs/dbraw/zinc/77/17/08/618771708.db2.gz JZBNPGFPVXWNER-MAUKXSAKSA-N 2 1 313.445 3.373 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000895380024 618775892 /nfs/dbraw/zinc/77/58/92/618775892.db2.gz NRRMTLAPWNLECM-RHSMWYFYSA-N 2 1 301.434 3.380 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc2cnccc2o1 ZINC000895380024 618775894 /nfs/dbraw/zinc/77/58/94/618775894.db2.gz NRRMTLAPWNLECM-RHSMWYFYSA-N 2 1 301.434 3.380 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000895682131 618818100 /nfs/dbraw/zinc/81/81/00/618818100.db2.gz BCBSTZMLMFFQAU-UHFFFAOYSA-N 2 1 318.387 3.126 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000895682131 618818104 /nfs/dbraw/zinc/81/81/04/618818104.db2.gz BCBSTZMLMFFQAU-UHFFFAOYSA-N 2 1 318.387 3.126 20 0 DGADMP CC(=O)Nc1ccccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895682127 618818180 /nfs/dbraw/zinc/81/81/80/618818180.db2.gz AYIMERUUVMNDDU-UHFFFAOYSA-N 2 1 317.477 3.343 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCC[C@@H]4CCO4)C[C@H]3C2)cc1 ZINC000895792884 618831437 /nfs/dbraw/zinc/83/14/37/618831437.db2.gz PWERJYGPCNLPGJ-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnn(C2CCC2)c1 ZINC000896026660 618864801 /nfs/dbraw/zinc/86/48/01/618864801.db2.gz CCAYDBUWMOFXPU-UHFFFAOYSA-N 2 1 304.482 3.306 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000896058296 618868247 /nfs/dbraw/zinc/86/82/47/618868247.db2.gz MIISGQCBVCGHQA-ZIAGYGMSSA-N 2 1 315.299 3.110 20 0 DGADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(Cl)c1OC ZINC000034991706 619065305 /nfs/dbraw/zinc/06/53/05/619065305.db2.gz LONFIAHVRUQDJQ-UHFFFAOYSA-N 2 1 314.857 3.035 20 0 DGADMP C[C@@H](CC[NH2+]C1CC2(C1)CO[C@@H](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000925199303 619073511 /nfs/dbraw/zinc/07/35/11/619073511.db2.gz AGKXHPNTHLHLLX-BEEJXANESA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000841029729 619166102 /nfs/dbraw/zinc/16/61/02/619166102.db2.gz RAAVHYOIDQISMA-VIFPVBQESA-N 2 1 313.232 3.036 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000841032294 619166886 /nfs/dbraw/zinc/16/68/86/619166886.db2.gz BAVLZACMXVMMIF-WMZOPIPTSA-N 3 1 307.526 3.009 20 0 DGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000897909937 619194843 /nfs/dbraw/zinc/19/48/43/619194843.db2.gz SGBVWFADOPTRPS-DLBZAZTESA-N 2 1 315.461 3.047 20 0 DGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000897909937 619194845 /nfs/dbraw/zinc/19/48/45/619194845.db2.gz SGBVWFADOPTRPS-DLBZAZTESA-N 2 1 315.461 3.047 20 0 DGADMP FC1(F)CC[C@@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000898015186 619205955 /nfs/dbraw/zinc/20/59/55/619205955.db2.gz WDKXJLBDNJXUHA-HOCLYGCPSA-N 2 1 316.436 3.045 20 0 DGADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000898195691 619225562 /nfs/dbraw/zinc/22/55/62/619225562.db2.gz YSWWKZCPRGWXEO-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000898195691 619225563 /nfs/dbraw/zinc/22/55/63/619225563.db2.gz YSWWKZCPRGWXEO-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP Cc1ncccc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898253603 619228735 /nfs/dbraw/zinc/22/87/35/619228735.db2.gz QESMTRHYIJHSFR-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000898307982 619235986 /nfs/dbraw/zinc/23/59/86/619235986.db2.gz KVEAKWALPRKWIN-UHFFFAOYSA-N 2 1 306.479 3.158 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000898307982 619235987 /nfs/dbraw/zinc/23/59/87/619235987.db2.gz KVEAKWALPRKWIN-UHFFFAOYSA-N 2 1 306.479 3.158 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)[NH+]1CCCC1 ZINC000924638690 619251417 /nfs/dbraw/zinc/25/14/17/619251417.db2.gz KNUUHJTUGAOGKU-QXAKKESOSA-N 2 1 301.478 3.257 20 0 DGADMP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)s1 ZINC000924673693 619255856 /nfs/dbraw/zinc/25/58/56/619255856.db2.gz WOOVBVSZDATAPV-GOOCMWNKSA-N 2 1 308.491 3.042 20 0 DGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685740 619257221 /nfs/dbraw/zinc/25/72/21/619257221.db2.gz PVOLNXAFVLWPST-HCXYKTFWSA-N 2 1 310.526 3.395 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685748 619257227 /nfs/dbraw/zinc/25/72/27/619257227.db2.gz PVOLNXAFVLWPST-RDGPPVDQSA-N 2 1 310.526 3.395 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000927023671 619257923 /nfs/dbraw/zinc/25/79/23/619257923.db2.gz FNCPVPCJPWXABB-WDSOQIARSA-N 2 1 304.478 3.038 20 0 DGADMP COC[C@@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518342 619283737 /nfs/dbraw/zinc/28/37/37/619283737.db2.gz GBVMSZMGCNPSMM-OJAHFUOMSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520383 619283880 /nfs/dbraw/zinc/28/38/80/619283880.db2.gz XGWMEZPPGJYGLF-CEXWTWQISA-N 2 1 324.472 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520383 619283882 /nfs/dbraw/zinc/28/38/82/619283882.db2.gz XGWMEZPPGJYGLF-CEXWTWQISA-N 2 1 324.472 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520383 619283884 /nfs/dbraw/zinc/28/38/84/619283884.db2.gz XGWMEZPPGJYGLF-CEXWTWQISA-N 2 1 324.472 3.108 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522319 619284020 /nfs/dbraw/zinc/28/40/20/619284020.db2.gz MYDHOVHENFZOMF-HBFSDRIKSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1[nH]ncc1C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522319 619284022 /nfs/dbraw/zinc/28/40/22/619284022.db2.gz MYDHOVHENFZOMF-HBFSDRIKSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1[nH]ncc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522319 619284024 /nfs/dbraw/zinc/28/40/24/619284024.db2.gz MYDHOVHENFZOMF-HBFSDRIKSA-N 2 1 324.472 3.108 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000898523132 619284130 /nfs/dbraw/zinc/28/41/30/619284130.db2.gz ZSZVFBVKAPLJPF-YRPNKDGESA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924750638 619313528 /nfs/dbraw/zinc/31/35/28/619313528.db2.gz GSXQWGSIUSFCMH-KBAYOESNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924750638 619313532 /nfs/dbraw/zinc/31/35/32/619313532.db2.gz GSXQWGSIUSFCMH-KBAYOESNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000924769964 619391201 /nfs/dbraw/zinc/39/12/01/619391201.db2.gz MTUXNKBPFHURJX-UDFCFZJOSA-N 2 1 308.510 3.148 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000924769964 619391202 /nfs/dbraw/zinc/39/12/02/619391202.db2.gz MTUXNKBPFHURJX-UDFCFZJOSA-N 2 1 308.510 3.148 20 0 DGADMP CCn1cnc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)c1 ZINC000902040680 619579642 /nfs/dbraw/zinc/57/96/42/619579642.db2.gz HTFPJWJXVAFUMB-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348304 619620411 /nfs/dbraw/zinc/62/04/11/619620411.db2.gz UHRGDAPPWHCYCT-LSDHHAIUSA-N 2 1 314.477 3.485 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000902374926 619624971 /nfs/dbraw/zinc/62/49/71/619624971.db2.gz RVYTVUVZZJNQEM-RYQLBKOJSA-N 2 1 303.494 3.046 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000902359193 619626975 /nfs/dbraw/zinc/62/69/75/619626975.db2.gz FXBCJQAEAZHNID-IRXDYDNUSA-N 2 1 319.493 3.174 20 0 DGADMP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902431154 619634961 /nfs/dbraw/zinc/63/49/61/619634961.db2.gz RWHZPQHFNBCLLR-CWRNSKLLSA-N 2 1 308.853 3.359 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902516113 619647954 /nfs/dbraw/zinc/64/79/54/619647954.db2.gz BLVNLZQALXHAKQ-NXHKRRBXSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902516112 619648036 /nfs/dbraw/zinc/64/80/36/619648036.db2.gz BLVNLZQALXHAKQ-LERVOYGESA-N 3 1 315.505 3.003 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000902742875 619669034 /nfs/dbraw/zinc/66/90/34/619669034.db2.gz ZYNZOJXOPJCYOG-MDOVXXIYSA-N 2 1 314.473 3.393 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902750011 619670003 /nfs/dbraw/zinc/67/00/03/619670003.db2.gz YJONZRUURRYLLL-GGUSCIRSSA-N 2 1 320.521 3.148 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902754732 619670838 /nfs/dbraw/zinc/67/08/38/619670838.db2.gz HEQGEQCBZSKZGU-NSHDSACASA-N 2 1 312.339 3.346 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)[C@H](C)C1 ZINC000902806902 619675983 /nfs/dbraw/zinc/67/59/83/619675983.db2.gz QEJTZWOWCBMZIN-FQBWVUSXSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000902833112 619681884 /nfs/dbraw/zinc/68/18/84/619681884.db2.gz WFMSLCLRQCFSAK-ALXJQNPVSA-N 2 1 314.477 3.231 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903016772 619701852 /nfs/dbraw/zinc/70/18/52/619701852.db2.gz HKOWRAPVIOFOEB-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000903011286 619704577 /nfs/dbraw/zinc/70/45/77/619704577.db2.gz WKPMPDRIBIQGPV-LNRIEFBSSA-N 2 1 316.445 3.057 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000903087454 619713798 /nfs/dbraw/zinc/71/37/98/619713798.db2.gz UUESEZTYZVLRBM-HYVNUMGLSA-N 2 1 308.491 3.117 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000903087454 619713800 /nfs/dbraw/zinc/71/38/00/619713800.db2.gz UUESEZTYZVLRBM-HYVNUMGLSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091168 619714495 /nfs/dbraw/zinc/71/44/95/619714495.db2.gz OKZXHCDFOVGREM-ZVRJUHEZSA-N 2 1 300.446 3.071 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903070034 619715058 /nfs/dbraw/zinc/71/50/58/619715058.db2.gz OCMOIMVFPJIPGL-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000903097798 619715897 /nfs/dbraw/zinc/71/58/97/619715897.db2.gz JRTYVNMRRLEXBE-KFKAGJAMSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(CC2CCC2)c1 ZINC000903107419 619718003 /nfs/dbraw/zinc/71/80/03/619718003.db2.gz UCYHKSGSYJAIAW-WBAXXEDZSA-N 2 1 304.482 3.207 20 0 DGADMP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(F)c1 ZINC000903096583 619719623 /nfs/dbraw/zinc/71/96/23/619719623.db2.gz GWNKUBHTXABAJI-ZXFUBFMLSA-N 2 1 306.400 3.255 20 0 DGADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903114358 619720344 /nfs/dbraw/zinc/72/03/44/619720344.db2.gz ZNPZFESIXWPQAG-ZCTYVAAUSA-N 2 1 306.494 3.065 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(C)c1 ZINC000903126111 619722425 /nfs/dbraw/zinc/72/24/25/619722425.db2.gz QWKNLEQTZDSQTR-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@](C)(O)c1ccccc1 ZINC000903193494 619733683 /nfs/dbraw/zinc/73/36/83/619733683.db2.gz FBSLODASCXAVAP-XMMBUWISSA-N 2 1 314.473 3.030 20 0 DGADMP c1ccc([C@@H]2OCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903209019 619738908 /nfs/dbraw/zinc/73/89/08/619738908.db2.gz DJZBPMBOYTVVCY-YGDSSSOMSA-N 2 1 312.457 3.264 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccnc1 ZINC000903383354 619769048 /nfs/dbraw/zinc/76/90/48/619769048.db2.gz LYWSHANKSFXRDM-UXHICEINSA-N 2 1 309.457 3.222 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2(C3CCCCC3)CC2)CC1 ZINC000903447923 619778252 /nfs/dbraw/zinc/77/82/52/619778252.db2.gz GBRUGZTWHHBUBZ-GOSISDBHSA-N 2 1 306.494 3.332 20 0 DGADMP C[N@H+](Cc1ccc(Br)cc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476652 619780375 /nfs/dbraw/zinc/78/03/75/619780375.db2.gz DORKUWRYZUTWHC-MFKMUULPSA-N 2 1 315.230 3.147 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000903482316 619781263 /nfs/dbraw/zinc/78/12/63/619781263.db2.gz BKVCNCGOUQEXPC-RYQLBKOJSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC000903482316 619781264 /nfs/dbraw/zinc/78/12/64/619781264.db2.gz BKVCNCGOUQEXPC-RYQLBKOJSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC000903482316 619781265 /nfs/dbraw/zinc/78/12/65/619781265.db2.gz BKVCNCGOUQEXPC-RYQLBKOJSA-N 2 1 324.472 3.384 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1CC[NH3+] ZINC000903496886 619782205 /nfs/dbraw/zinc/78/22/05/619782205.db2.gz IUDZQOJEYYYFBZ-CHWSQXEVSA-N 2 1 303.837 3.305 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903565682 619783467 /nfs/dbraw/zinc/78/34/67/619783467.db2.gz BJCPSTVFKOIHRN-GLQYFDAESA-N 2 1 324.266 3.108 20 0 DGADMP C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000903566706 619783558 /nfs/dbraw/zinc/78/35/58/619783558.db2.gz YUOKTVRPZJYBEI-DZGCQCFKSA-N 2 1 314.433 3.032 20 0 DGADMP CCC[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718485 619803123 /nfs/dbraw/zinc/80/31/23/619803123.db2.gz NKQNCOLMOFKALR-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718693 619803337 /nfs/dbraw/zinc/80/33/37/619803337.db2.gz QTAMHZDHMLIZOM-PMACEKPBSA-N 2 1 310.441 3.040 20 0 DGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724351 619804514 /nfs/dbraw/zinc/80/45/14/619804514.db2.gz MUUMOQAOPZJEBZ-MJGOQNOKSA-N 2 1 314.473 3.291 20 0 DGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726236 619804776 /nfs/dbraw/zinc/80/47/76/619804776.db2.gz LCINJLLHBDYDMD-TZIWHRDSSA-N 2 1 324.468 3.083 20 0 DGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725443 619804934 /nfs/dbraw/zinc/80/49/34/619804934.db2.gz ZQNJULXSDBNAIQ-KRWDZBQOSA-N 2 1 322.880 3.321 20 0 DGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730671 619805396 /nfs/dbraw/zinc/80/53/96/619805396.db2.gz YIVPESRHCTWZHF-RTBURBONSA-N 2 1 316.489 3.474 20 0 DGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728930 619805514 /nfs/dbraw/zinc/80/55/14/619805514.db2.gz HTSJEABSAUHUFC-QRVBRYPASA-N 2 1 302.462 3.084 20 0 DGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903733175 619805590 /nfs/dbraw/zinc/80/55/90/619805590.db2.gz ISKTXNZHXLJWEC-IEBWSBKVSA-N 2 1 316.489 3.017 20 0 DGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903733177 619805598 /nfs/dbraw/zinc/80/55/98/619805598.db2.gz ISKTXNZHXLJWEC-MJGOQNOKSA-N 2 1 316.489 3.017 20 0 DGADMP Fc1ccc(C[N@@H+](C[C@H]2CCCC[NH2+]C2)C2CCOCC2)cc1 ZINC000903756851 619810655 /nfs/dbraw/zinc/81/06/55/619810655.db2.gz WVAVGOLZMZFSPZ-KRWDZBQOSA-N 2 1 320.452 3.196 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1F ZINC000903776589 619811898 /nfs/dbraw/zinc/81/18/98/619811898.db2.gz VLBXBFXPBVVIBG-GOEBONIOSA-N 2 1 306.425 3.013 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cnn(-c3ccccc3)c2)CCC1 ZINC000903814140 619813785 /nfs/dbraw/zinc/81/37/85/619813785.db2.gz KNDFFOYENFIXDS-LJQANCHMSA-N 2 1 324.472 3.356 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOc2ccccc2F)CCC1 ZINC000903816215 619815003 /nfs/dbraw/zinc/81/50/03/619815003.db2.gz WLAVHMNVBQTPBN-QGZVFWFLSA-N 2 1 306.425 3.188 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000903801964 619816322 /nfs/dbraw/zinc/81/63/22/619816322.db2.gz PZBRAROHINHAFU-ZSYWTGECSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000903801964 619816325 /nfs/dbraw/zinc/81/63/25/619816325.db2.gz PZBRAROHINHAFU-ZSYWTGECSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903872754 619827430 /nfs/dbraw/zinc/82/74/30/619827430.db2.gz BSAJYPKEPKNVEH-KTWXZFIHSA-N 2 1 300.446 3.363 20 0 DGADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894689 619829978 /nfs/dbraw/zinc/82/99/78/619829978.db2.gz BLBBLGLWDHLYQF-RAFMOHDBSA-N 2 1 316.489 3.036 20 0 DGADMP c1ccc(OC[C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000903902619 619831735 /nfs/dbraw/zinc/83/17/35/619831735.db2.gz KZGBWKWXTHBKFE-QGZVFWFLSA-N 2 1 322.452 3.233 20 0 DGADMP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1cccc(OC(F)(F)F)c1 ZINC000903937645 619838156 /nfs/dbraw/zinc/83/81/56/619838156.db2.gz ORVXHQNAWNAAND-WCBMZHEXSA-N 2 1 312.282 3.218 20 0 DGADMP CCCOc1cc(C[NH+]2CCC([NH3+])(CC)CC2)ccc1OC ZINC000903947248 619843826 /nfs/dbraw/zinc/84/38/26/619843826.db2.gz PFLQEIBOZCATNN-UHFFFAOYSA-N 2 1 306.450 3.187 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000903955382 619846343 /nfs/dbraw/zinc/84/63/43/619846343.db2.gz QKYHUCRGXHNGSN-CYBMUJFWSA-N 2 1 323.412 3.145 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000903955386 619846451 /nfs/dbraw/zinc/84/64/51/619846451.db2.gz QPMIDHVFPXYXKV-JTQLQIEISA-N 2 1 309.187 3.328 20 0 DGADMP CC(C)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954925 619846505 /nfs/dbraw/zinc/84/65/05/619846505.db2.gz IPZZZVIVQIHDMI-HNNXBMFYSA-N 2 1 312.404 3.056 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955426 619846567 /nfs/dbraw/zinc/84/65/67/619846567.db2.gz RLOQEMVZBLQGEJ-AWEZNQCLSA-N 2 1 320.383 3.183 20 0 DGADMP FC(F)Sc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956002 619846983 /nfs/dbraw/zinc/84/69/83/619846983.db2.gz FFQRZCFXVODBAQ-LLVKDONJSA-N 2 1 322.371 3.336 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973106 619847765 /nfs/dbraw/zinc/84/77/65/619847765.db2.gz OKLBXDIZAQIQPC-RBUKOAKNSA-N 2 1 316.489 3.175 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OCC(C)C ZINC000903977569 619848765 /nfs/dbraw/zinc/84/87/65/619848765.db2.gz USHLDPJCBULVQE-NVXWUHKLSA-N 2 1 320.477 3.147 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904313670 619912369 /nfs/dbraw/zinc/91/23/69/619912369.db2.gz XROYWJOZRFABCP-HKUYNNGSSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)C1 ZINC000904327026 619913682 /nfs/dbraw/zinc/91/36/82/619913682.db2.gz XGIGSKZHARWICI-IXDOHACOSA-N 2 1 316.470 3.021 20 0 DGADMP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000904327837 619913724 /nfs/dbraw/zinc/91/37/24/619913724.db2.gz JBQVCNALGZPPEW-RYRKJORJSA-N 2 1 307.526 3.089 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000904326514 619913862 /nfs/dbraw/zinc/91/38/62/619913862.db2.gz LJSLKDAZFLSIQV-MXWKQRLJSA-N 2 1 319.396 3.079 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326780 619913974 /nfs/dbraw/zinc/91/39/74/619913974.db2.gz SCSSPHWNZPYGKL-WMLDXEAASA-N 2 1 307.507 3.404 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326780 619913976 /nfs/dbraw/zinc/91/39/76/619913976.db2.gz SCSSPHWNZPYGKL-WMLDXEAASA-N 2 1 307.507 3.404 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1c(F)cccc1F ZINC000904389572 619917657 /nfs/dbraw/zinc/91/76/57/619917657.db2.gz NQHLFEQZBDNYRM-GFCCVEGCSA-N 2 1 302.368 3.461 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000904384367 619918548 /nfs/dbraw/zinc/91/85/48/619918548.db2.gz JWTPDRHFRGRSFF-AZUAARDMSA-N 3 1 315.505 3.265 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000904406912 619920216 /nfs/dbraw/zinc/92/02/16/619920216.db2.gz WVJQCCJCKKRHOR-CQSZACIVSA-N 2 1 324.428 3.004 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904411892 619920511 /nfs/dbraw/zinc/92/05/11/619920511.db2.gz PPUMMWVWFWOKJE-GXTWGEPZSA-N 2 1 318.852 3.147 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000904406987 619920680 /nfs/dbraw/zinc/92/06/80/619920680.db2.gz ZTWOVHNCAOCUNY-AWEZNQCLSA-N 2 1 307.869 3.111 20 0 DGADMP C[C@@]1(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000904473337 619924657 /nfs/dbraw/zinc/92/46/57/619924657.db2.gz IEBSSAZQNOIOAT-GOSISDBHSA-N 2 1 320.864 3.234 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000151105977 620423199 /nfs/dbraw/zinc/42/31/99/620423199.db2.gz JLIDVGXUGJMEGZ-FUHWJXTLSA-N 2 1 304.478 3.338 20 0 DGADMP Cc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151148920 620425374 /nfs/dbraw/zinc/42/53/74/620425374.db2.gz HXUQHSNHAFAFGP-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151148920 620425375 /nfs/dbraw/zinc/42/53/75/620425375.db2.gz HXUQHSNHAFAFGP-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CNCc1ccccc1N1CCCCC1 ZINC000920957044 620829304 /nfs/dbraw/zinc/82/93/04/620829304.db2.gz ZRYSXJJDEQQJCA-GOSISDBHSA-N 2 1 301.478 3.251 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921537632 620903957 /nfs/dbraw/zinc/90/39/57/620903957.db2.gz YPADIWRGSAYNPC-AWEZNQCLSA-N 2 1 317.433 3.135 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921537975 620904094 /nfs/dbraw/zinc/90/40/94/620904094.db2.gz SYFVYUWVYPKOLM-HOTGVXAUSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921536821 620904475 /nfs/dbraw/zinc/90/44/75/620904475.db2.gz RUAUTRIXDDBFCD-FCGDIQPGSA-N 2 1 308.510 3.436 20 0 DGADMP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000921560354 620909683 /nfs/dbraw/zinc/90/96/83/620909683.db2.gz AMGFDJFXSCELKG-JKSUJKDBSA-N 2 1 316.474 3.340 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921580634 620910535 /nfs/dbraw/zinc/91/05/35/620910535.db2.gz DSOYXUWWKMKVFE-BRSBDYLESA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921580634 620910538 /nfs/dbraw/zinc/91/05/38/620910538.db2.gz DSOYXUWWKMKVFE-BRSBDYLESA-N 2 1 308.510 3.292 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921774432 620947695 /nfs/dbraw/zinc/94/76/95/620947695.db2.gz GIGMWNHVJKFJMG-UHFFFAOYSA-N 2 1 315.465 3.153 20 0 DGADMP c1cc2c(c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)c1)OCC2 ZINC000921816433 620954814 /nfs/dbraw/zinc/95/48/14/620954814.db2.gz ORMVUGNSLYKBDT-UHFFFAOYSA-N 2 1 300.446 3.118 20 0 DGADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@H]1CCC[C@@H](C3CCOCC3)C1)CC2 ZINC000922064002 620985109 /nfs/dbraw/zinc/98/51/09/620985109.db2.gz PQMFTTNYQKPCFQ-NXHRZFHOSA-N 2 1 317.477 3.021 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3CC3)C2)ccn1 ZINC000856600619 621007163 /nfs/dbraw/zinc/00/71/63/621007163.db2.gz VMWLQINDQYJZGH-LJQANCHMSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CC3)C2)ccn1 ZINC000856600619 621007166 /nfs/dbraw/zinc/00/71/66/621007166.db2.gz VMWLQINDQYJZGH-LJQANCHMSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3CC3)C2)ccn1 ZINC000856600619 621007169 /nfs/dbraw/zinc/00/71/69/621007169.db2.gz VMWLQINDQYJZGH-LJQANCHMSA-N 2 1 317.477 3.175 20 0 DGADMP c1cc2c(c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)n1)CCCC2 ZINC000922269868 621015432 /nfs/dbraw/zinc/01/54/32/621015432.db2.gz PRKCFFYKBIXHPL-KRWDZBQOSA-N 2 1 313.489 3.172 20 0 DGADMP c1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)n1)CCCC2 ZINC000922269868 621015434 /nfs/dbraw/zinc/01/54/34/621015434.db2.gz PRKCFFYKBIXHPL-KRWDZBQOSA-N 2 1 313.489 3.172 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(C)nc2Cl)c1 ZINC000856766443 621017853 /nfs/dbraw/zinc/01/78/53/621017853.db2.gz YVQFGBDTXWAVRA-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP CSC1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000922420464 621035330 /nfs/dbraw/zinc/03/53/30/621035330.db2.gz FBADBQODZBKUNR-UHFFFAOYSA-N 2 1 313.536 3.216 20 0 DGADMP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000922631885 621070843 /nfs/dbraw/zinc/07/08/43/621070843.db2.gz XXTFKNKRGRZQON-ZACQAIPSSA-N 2 1 307.507 3.338 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1(C)C ZINC000922771822 621097186 /nfs/dbraw/zinc/09/71/86/621097186.db2.gz IVFPLWNNYMSCES-BZUAXINKSA-N 2 1 308.416 3.498 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847150 621121938 /nfs/dbraw/zinc/12/19/38/621121938.db2.gz WIQRKTWUEWLANC-SFHVURJKSA-N 2 1 312.461 3.419 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312213 621173977 /nfs/dbraw/zinc/17/39/77/621173977.db2.gz IGBFZRHCGIAHSH-NSEAXLEKSA-N 2 1 314.473 3.369 20 0 DGADMP Fc1cccc([C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000923312744 621174072 /nfs/dbraw/zinc/17/40/72/621174072.db2.gz PHCSDOBMIGXWKL-JVPQYHMTSA-N 2 1 318.436 3.120 20 0 DGADMP Fc1cccc([C@@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000923312744 621174074 /nfs/dbraw/zinc/17/40/74/621174074.db2.gz PHCSDOBMIGXWKL-JVPQYHMTSA-N 2 1 318.436 3.120 20 0 DGADMP Fc1cccc([C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000923312743 621174372 /nfs/dbraw/zinc/17/43/72/621174372.db2.gz PHCSDOBMIGXWKL-DPGVMXDBSA-N 2 1 318.436 3.120 20 0 DGADMP Fc1cccc([C@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000923312743 621174373 /nfs/dbraw/zinc/17/43/73/621174373.db2.gz PHCSDOBMIGXWKL-DPGVMXDBSA-N 2 1 318.436 3.120 20 0 DGADMP C[C@]1(c2ccccc2)C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923312547 621174425 /nfs/dbraw/zinc/17/44/25/621174425.db2.gz JVJCYSQEZQCDGB-ZNBHLAFESA-N 2 1 314.473 3.155 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000923311888 621175546 /nfs/dbraw/zinc/17/55/46/621175546.db2.gz ALGCKWFMKWQAME-SCDLOJPASA-N 2 1 314.473 3.405 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nc2c(s1)CCCC2 ZINC000923320984 621176014 /nfs/dbraw/zinc/17/60/14/621176014.db2.gz AWISGPMGZRWORV-GOOCMWNKSA-N 2 1 319.518 3.374 20 0 DGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923370715 621179266 /nfs/dbraw/zinc/17/92/66/621179266.db2.gz JLJURESQMMAODP-HQSKLWIPSA-N 2 1 316.493 3.351 20 0 DGADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000923374400 621179302 /nfs/dbraw/zinc/17/93/02/621179302.db2.gz SWVJEYYJHAMYNE-HZPDHXFCSA-N 2 1 314.832 3.010 20 0 DGADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000923374438 621179492 /nfs/dbraw/zinc/17/94/92/621179492.db2.gz XOAGRQBGCCHCPL-AWEZNQCLSA-N 2 1 319.518 3.343 20 0 DGADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000923374438 621179494 /nfs/dbraw/zinc/17/94/94/621179494.db2.gz XOAGRQBGCCHCPL-AWEZNQCLSA-N 2 1 319.518 3.343 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC000923386509 621180869 /nfs/dbraw/zinc/18/08/69/621180869.db2.gz CBQDMTQXGUBKEB-RCCFBDPRSA-N 2 1 306.494 3.175 20 0 DGADMP Fc1cccc([C@H]2COCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923387238 621180876 /nfs/dbraw/zinc/18/08/76/621180876.db2.gz CCOUQHYRFTZGLO-DPGVMXDBSA-N 2 1 318.436 3.120 20 0 DGADMP Fc1cccc([C@H]2COCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923387238 621180879 /nfs/dbraw/zinc/18/08/79/621180879.db2.gz CCOUQHYRFTZGLO-DPGVMXDBSA-N 2 1 318.436 3.120 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)c1 ZINC000858361869 621181165 /nfs/dbraw/zinc/18/11/65/621181165.db2.gz FYSSLEXKTWQNCO-GUDVDZBRSA-N 2 1 302.462 3.145 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)c1 ZINC000858361869 621181169 /nfs/dbraw/zinc/18/11/69/621181169.db2.gz FYSSLEXKTWQNCO-GUDVDZBRSA-N 2 1 302.462 3.145 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2CC3CCC2CC3)C1 ZINC000923392838 621181610 /nfs/dbraw/zinc/18/16/10/621181610.db2.gz LDJNPZYJLBPMRH-KQFWTADKSA-N 2 1 306.494 3.174 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923423675 621182522 /nfs/dbraw/zinc/18/25/22/621182522.db2.gz MGCKLQUWPQNNSU-QGZVFWFLSA-N 2 1 324.472 3.398 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)Cc1ccc2ccccc2c1 ZINC000923428816 621183723 /nfs/dbraw/zinc/18/37/23/621183723.db2.gz KNASLWCECVUCDV-PMACEKPBSA-N 2 1 324.468 3.008 20 0 DGADMP Cc1csc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923421298 621184097 /nfs/dbraw/zinc/18/40/97/621184097.db2.gz PIDZPPAHBBGBNR-PNRVRQOCSA-N 2 1 305.491 3.162 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000923480479 621187307 /nfs/dbraw/zinc/18/73/07/621187307.db2.gz HKVOPWVJDWLHSD-INIZCTEOSA-N 2 1 315.486 3.099 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496669 621187640 /nfs/dbraw/zinc/18/76/40/621187640.db2.gz CCKRJBVPQSTZJA-AAEUAGOBSA-N 2 1 305.447 3.128 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1C[NH3+] ZINC000923502384 621187912 /nfs/dbraw/zinc/18/79/12/621187912.db2.gz WWZXJCNBPPJMGH-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1C[NH3+] ZINC000923502387 621188117 /nfs/dbraw/zinc/18/81/17/621188117.db2.gz WWZXJCNBPPJMGH-WDEREUQCSA-N 2 1 315.230 3.005 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000923488712 621188326 /nfs/dbraw/zinc/18/83/26/621188326.db2.gz UGZMSTRKPJXLLF-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923493925 621188360 /nfs/dbraw/zinc/18/83/60/621188360.db2.gz JIRQWZBAHUMXEA-WCQYABFASA-N 2 1 302.340 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923499328 621189325 /nfs/dbraw/zinc/18/93/25/621189325.db2.gz SBWBBIUYXQJFTO-CMPLNLGQSA-N 2 1 315.230 3.005 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499866 621189398 /nfs/dbraw/zinc/18/93/98/621189398.db2.gz MTOFTHKOXYPCJU-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923500896 621189414 /nfs/dbraw/zinc/18/94/14/621189414.db2.gz RNIYKPLCUQZYMO-YPMHNXCESA-N 2 1 302.340 3.002 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492336 621215122 /nfs/dbraw/zinc/21/51/22/621215122.db2.gz HTDSLEUESWMYGW-PKOBYXMFSA-N 3 1 303.494 3.177 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000859213616 621261122 /nfs/dbraw/zinc/26/11/22/621261122.db2.gz XIEVJOCTWCHYJT-UHFFFAOYSA-N 3 1 303.494 3.056 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000859213616 621261123 /nfs/dbraw/zinc/26/11/23/621261123.db2.gz XIEVJOCTWCHYJT-UHFFFAOYSA-N 3 1 303.494 3.056 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cn2)cc1 ZINC000859213288 621261405 /nfs/dbraw/zinc/26/14/05/621261405.db2.gz UYPGYIXDAWFZJD-UHFFFAOYSA-N 2 1 303.837 3.429 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cn2)cc1 ZINC000859213288 621261406 /nfs/dbraw/zinc/26/14/06/621261406.db2.gz UYPGYIXDAWFZJD-UHFFFAOYSA-N 2 1 303.837 3.429 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000839181007 621343749 /nfs/dbraw/zinc/34/37/49/621343749.db2.gz GBPPKAOXARXUIG-LLVKDONJSA-N 2 1 302.249 3.210 20 0 DGADMP CC[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997783 621353555 /nfs/dbraw/zinc/35/35/55/621353555.db2.gz RRFUWBOPFUCUEM-SFHVURJKSA-N 2 1 320.477 3.112 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464827 621512233 /nfs/dbraw/zinc/51/22/33/621512233.db2.gz MQLFVQNJAPBBHZ-URLQWDBASA-N 2 1 320.452 3.102 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1csc2ccccc21 ZINC000754730323 621528909 /nfs/dbraw/zinc/52/89/09/621528909.db2.gz HWOPGOWNWSGCBE-KBPBESRZSA-N 2 1 304.459 3.009 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1csc2ccccc21 ZINC000754730325 621528999 /nfs/dbraw/zinc/52/89/99/621528999.db2.gz HWOPGOWNWSGCBE-KGLIPLIRSA-N 2 1 304.459 3.009 20 0 DGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000754867436 621538114 /nfs/dbraw/zinc/53/81/14/621538114.db2.gz AXURICMRGAGLTR-HNNXBMFYSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000754867436 621538116 /nfs/dbraw/zinc/53/81/16/621538116.db2.gz AXURICMRGAGLTR-HNNXBMFYSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000754867436 621538117 /nfs/dbraw/zinc/53/81/17/621538117.db2.gz AXURICMRGAGLTR-HNNXBMFYSA-N 2 1 310.482 3.057 20 0 DGADMP CC[NH+](CC)CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000755043374 621548442 /nfs/dbraw/zinc/54/84/42/621548442.db2.gz YBGYJCGKPXQDHN-SFHVURJKSA-N 2 1 308.441 3.055 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000755043374 621548443 /nfs/dbraw/zinc/54/84/43/621548443.db2.gz YBGYJCGKPXQDHN-SFHVURJKSA-N 2 1 308.441 3.055 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000863546419 621682338 /nfs/dbraw/zinc/68/23/38/621682338.db2.gz IKZNKBYBUYSPFH-VOMHLDQXSA-N 2 1 316.489 3.280 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000863568231 621684001 /nfs/dbraw/zinc/68/40/01/621684001.db2.gz IQAMZJPDQINUDK-LBPRGKRZSA-N 2 1 304.356 3.143 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000864090134 621735517 /nfs/dbraw/zinc/73/55/17/621735517.db2.gz AMWMBAGLHSPCGY-NSHDSACASA-N 2 1 301.356 3.055 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865405168 621911468 /nfs/dbraw/zinc/91/14/68/621911468.db2.gz YDDGHFAZPPQIOZ-UHFFFAOYSA-N 2 1 301.409 3.338 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C)cc1 ZINC000760865763 621969469 /nfs/dbraw/zinc/96/94/69/621969469.db2.gz VITZCSXURQVFKI-MOPGFXCFSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(C)cc1 ZINC000760865763 621969472 /nfs/dbraw/zinc/96/94/72/621969472.db2.gz VITZCSXURQVFKI-MOPGFXCFSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(C)cc1 ZINC000760865763 621969474 /nfs/dbraw/zinc/96/94/74/621969474.db2.gz VITZCSXURQVFKI-MOPGFXCFSA-N 2 1 304.478 3.225 20 0 DGADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@@H]21 ZINC000866206333 622066035 /nfs/dbraw/zinc/06/60/35/622066035.db2.gz KEFUCLJOUNMDFD-LRDDRELGSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@@H]21 ZINC000866206333 622066038 /nfs/dbraw/zinc/06/60/38/622066038.db2.gz KEFUCLJOUNMDFD-LRDDRELGSA-N 2 1 301.821 3.419 20 0 DGADMP COc1cccc2c(N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204853 622066111 /nfs/dbraw/zinc/06/61/11/622066111.db2.gz GZSMHTSQAZWSIX-GOEBONIOSA-N 2 1 311.429 3.082 20 0 DGADMP COc1cccc2c(N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204853 622066115 /nfs/dbraw/zinc/06/61/15/622066115.db2.gz GZSMHTSQAZWSIX-GOEBONIOSA-N 2 1 311.429 3.082 20 0 DGADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@@H]21 ZINC000866207970 622066920 /nfs/dbraw/zinc/06/69/20/622066920.db2.gz ZBLIJBDMKMEXFS-LRDDRELGSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@@H]21 ZINC000866207970 622066922 /nfs/dbraw/zinc/06/69/22/622066922.db2.gz ZBLIJBDMKMEXFS-LRDDRELGSA-N 2 1 301.821 3.419 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000866222812 622069427 /nfs/dbraw/zinc/06/94/27/622069427.db2.gz XNOLQEDOVWJQAA-GOSISDBHSA-N 2 1 323.484 3.441 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000866222812 622069428 /nfs/dbraw/zinc/06/94/28/622069428.db2.gz XNOLQEDOVWJQAA-GOSISDBHSA-N 2 1 323.484 3.441 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866238353 622073412 /nfs/dbraw/zinc/07/34/12/622073412.db2.gz POOGWIVJVZDPLI-DLBZAZTESA-N 2 1 311.473 3.487 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000866265927 622079668 /nfs/dbraw/zinc/07/96/68/622079668.db2.gz AHBPZOBMPXGWNL-FXAWDEMLSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762646692 622088840 /nfs/dbraw/zinc/08/88/40/622088840.db2.gz AZHUVYIFAXVAKR-APWZRJJASA-N 2 1 302.462 3.073 20 0 DGADMP CCOc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000762648955 622089311 /nfs/dbraw/zinc/08/93/11/622089311.db2.gz KEOQUTIPROXRHT-SJORKVTESA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000762648955 622089313 /nfs/dbraw/zinc/08/93/13/622089313.db2.gz KEOQUTIPROXRHT-SJORKVTESA-N 2 1 320.477 3.237 20 0 DGADMP Cc1cc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c2cc1F ZINC000866492918 622126737 /nfs/dbraw/zinc/12/67/37/622126737.db2.gz UVXYEVANSAGBBJ-UKRRQHHQSA-N 2 1 303.425 3.230 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866635706 622151515 /nfs/dbraw/zinc/15/15/15/622151515.db2.gz CTCGXWNOADPLLD-UKBAYJJMSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866635706 622151517 /nfs/dbraw/zinc/15/15/17/622151517.db2.gz CTCGXWNOADPLLD-UKBAYJJMSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704917 622157977 /nfs/dbraw/zinc/15/79/77/622157977.db2.gz QXLAPAFWJJZYIQ-KXBFYZLASA-N 2 1 317.477 3.019 20 0 DGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704917 622157979 /nfs/dbraw/zinc/15/79/79/622157979.db2.gz QXLAPAFWJJZYIQ-KXBFYZLASA-N 2 1 317.477 3.019 20 0 DGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704914 622158181 /nfs/dbraw/zinc/15/81/81/622158181.db2.gz QXLAPAFWJJZYIQ-BEFAXECRSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704914 622158184 /nfs/dbraw/zinc/15/81/84/622158184.db2.gz QXLAPAFWJJZYIQ-BEFAXECRSA-N 2 1 317.477 3.019 20 0 DGADMP CC[C@@H](C[NH2+][C@H](C)CCc1ccc(OC)cc1)[NH+]1CCCC1 ZINC000764869491 622228321 /nfs/dbraw/zinc/22/83/21/622228321.db2.gz ODUKQNACBCJMHY-AEFFLSMTSA-N 2 1 304.478 3.480 20 0 DGADMP C(C1CCCCC1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000765040562 622241585 /nfs/dbraw/zinc/24/15/85/622241585.db2.gz XRWXRWGEJVECCV-PMACEKPBSA-N 2 1 319.537 3.248 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000765141101 622249133 /nfs/dbraw/zinc/24/91/33/622249133.db2.gz JSAHYSOVZPMLLE-INIZCTEOSA-N 2 1 324.472 3.397 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000765245399 622253691 /nfs/dbraw/zinc/25/36/91/622253691.db2.gz PECNEXIADKBMKA-MJGOQNOKSA-N 2 1 315.505 3.292 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000765449310 622266145 /nfs/dbraw/zinc/26/61/45/622266145.db2.gz ILFSLCGMHHOFLL-LSDHHAIUSA-N 2 1 300.450 3.172 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(OC)ccc32)C1 ZINC000765514216 622270201 /nfs/dbraw/zinc/27/02/01/622270201.db2.gz NEFAHFHEEIZYNW-HNNXBMFYSA-N 2 1 313.445 3.412 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000765546581 622272692 /nfs/dbraw/zinc/27/26/92/622272692.db2.gz RJUQLADQIBOVSF-KDOFPFPSSA-N 2 1 311.429 3.164 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000765774542 622286251 /nfs/dbraw/zinc/28/62/51/622286251.db2.gz DWKXZRWEKPDDLO-RTBURBONSA-N 2 1 309.542 3.353 20 0 DGADMP CCN1CC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000765774542 622286255 /nfs/dbraw/zinc/28/62/55/622286255.db2.gz DWKXZRWEKPDDLO-RTBURBONSA-N 2 1 309.542 3.353 20 0 DGADMP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765979189 622297889 /nfs/dbraw/zinc/29/78/89/622297889.db2.gz WODHCPDWRZBKDK-GOEBONIOSA-N 2 1 308.491 3.351 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOc2cccc(F)c2)cc1 ZINC000768829508 622479726 /nfs/dbraw/zinc/47/97/26/622479726.db2.gz QTMUKQVZQCNVEE-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP C[C@H](CC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1)n1ccnc1 ZINC000870731940 622504172 /nfs/dbraw/zinc/50/41/72/622504172.db2.gz CVSUUNWSLUTASE-WBVHZDCISA-N 2 1 319.449 3.175 20 0 DGADMP Cc1cc(N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nc(C)[nH+]1 ZINC000871666901 622661441 /nfs/dbraw/zinc/66/14/41/622661441.db2.gz VEVUEQYEGRHKRF-WBVHZDCISA-N 2 1 302.466 3.217 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[NH+]1CCCCCC1 ZINC000871796364 622700727 /nfs/dbraw/zinc/70/07/27/622700727.db2.gz RQDZWWBBWILMLJ-AVOUXACISA-N 2 1 304.438 3.005 20 0 DGADMP [NH3+][C@@H](CC1CCCCC1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796896 622701483 /nfs/dbraw/zinc/70/14/83/622701483.db2.gz QMSPOOMLVYWAJS-DKUMPPAJSA-N 2 1 304.438 3.038 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872020470 622755208 /nfs/dbraw/zinc/75/52/08/622755208.db2.gz IIHYQANYSNVNOW-VQTJNVASSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872020470 622755209 /nfs/dbraw/zinc/75/52/09/622755209.db2.gz IIHYQANYSNVNOW-VQTJNVASSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000872019102 622755234 /nfs/dbraw/zinc/75/52/34/622755234.db2.gz SMNPNUZVEVCRGU-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000872088332 622798514 /nfs/dbraw/zinc/79/85/14/622798514.db2.gz QBSBMKGMHSXJRV-SQNIBIBYSA-N 2 1 308.510 3.292 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)C[C@@H]1C(F)(F)F ZINC000872150472 622833056 /nfs/dbraw/zinc/83/30/56/622833056.db2.gz VYKATYXPGMQSAL-UGFHNGPFSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@@H]1C(F)(F)F ZINC000872150472 622833063 /nfs/dbraw/zinc/83/30/63/622833063.db2.gz VYKATYXPGMQSAL-UGFHNGPFSA-N 2 1 316.342 3.272 20 0 DGADMP Cc1csc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000872148779 622833310 /nfs/dbraw/zinc/83/33/10/622833310.db2.gz RKMULGIETXKDDF-INIZCTEOSA-N 2 1 313.470 3.087 20 0 DGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])cc1C ZINC000872154959 622834682 /nfs/dbraw/zinc/83/46/82/622834682.db2.gz HHFHXBAQRUUIHN-INIZCTEOSA-N 2 1 305.466 3.081 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1cccc(Cl)c1 ZINC000872154976 622835166 /nfs/dbraw/zinc/83/51/66/622835166.db2.gz HWVRTEHPEFIAFM-UHFFFAOYSA-N 2 1 311.857 3.120 20 0 DGADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155241 622836994 /nfs/dbraw/zinc/83/69/94/622836994.db2.gz PAPDIVPJSJUUJJ-DLBZAZTESA-N 2 1 319.493 3.012 20 0 DGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155815 622837433 /nfs/dbraw/zinc/83/74/33/622837433.db2.gz ZZVLJMFORXQYHG-CYBMUJFWSA-N 2 1 311.857 3.118 20 0 DGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872156400 622838078 /nfs/dbraw/zinc/83/80/78/622838078.db2.gz JBBHWGWQQARMKK-GOSISDBHSA-N 2 1 319.493 3.187 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1)C1CCCC1 ZINC000872157749 622839135 /nfs/dbraw/zinc/83/91/35/622839135.db2.gz QRTHZLOTLOENDF-FVQBIDKESA-N 2 1 316.436 3.030 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000872157566 622839386 /nfs/dbraw/zinc/83/93/86/622839386.db2.gz PRRGIPAQROCVNT-ICSRJNTNSA-N 3 1 321.553 3.482 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157566 622839390 /nfs/dbraw/zinc/83/93/90/622839390.db2.gz PRRGIPAQROCVNT-ICSRJNTNSA-N 2 1 321.553 3.482 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157566 622839393 /nfs/dbraw/zinc/83/93/93/622839393.db2.gz PRRGIPAQROCVNT-ICSRJNTNSA-N 2 1 321.553 3.482 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCc2cccnc2)C1)C1CCCC1 ZINC000872158270 622839701 /nfs/dbraw/zinc/83/97/01/622839701.db2.gz UOQFAXFAPDMVGV-PKOBYXMFSA-N 2 1 301.478 3.244 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158129 622839858 /nfs/dbraw/zinc/83/98/58/622839858.db2.gz TZAASWIGNYAFRZ-QFBILLFUSA-N 2 1 318.509 3.065 20 0 DGADMP Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201424 623073299 /nfs/dbraw/zinc/07/32/99/623073299.db2.gz TXBUPJGWTNHBCI-MRXNPFEDSA-N 2 1 301.459 3.069 20 0 DGADMP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201423 623073383 /nfs/dbraw/zinc/07/33/83/623073383.db2.gz TXBUPJGWTNHBCI-INIZCTEOSA-N 2 1 301.459 3.069 20 0 DGADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208459 623076200 /nfs/dbraw/zinc/07/62/00/623076200.db2.gz OAGLQSZWQXLPAI-CXAGYDPISA-N 2 1 313.470 3.372 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000873223423 623080305 /nfs/dbraw/zinc/08/03/05/623080305.db2.gz MSRMGMSLJZZNQB-QGZVFWFLSA-N 2 1 318.490 3.335 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873222692 623080672 /nfs/dbraw/zinc/08/06/72/623080672.db2.gz AWFFIDYNWAHRBE-LJQANCHMSA-N 2 1 320.525 3.452 20 0 DGADMP CCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873227087 623081300 /nfs/dbraw/zinc/08/13/00/623081300.db2.gz GPCRYIDQLAOYDM-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873227087 623081304 /nfs/dbraw/zinc/08/13/04/623081304.db2.gz GPCRYIDQLAOYDM-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP COCCC1([NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000873225434 623081387 /nfs/dbraw/zinc/08/13/87/623081387.db2.gz YJGRJLNIAKIQSS-UHFFFAOYSA-N 2 1 314.429 3.195 20 0 DGADMP COCCC1([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000873225215 623081421 /nfs/dbraw/zinc/08/14/21/623081421.db2.gz UPHLYOOKQLVAAB-UHFFFAOYSA-N 2 1 317.260 3.242 20 0 DGADMP CCSc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873228459 623082549 /nfs/dbraw/zinc/08/25/49/623082549.db2.gz SALUMPYUYQTTOU-OCCSQVGLSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873228459 623082553 /nfs/dbraw/zinc/08/25/53/623082553.db2.gz SALUMPYUYQTTOU-OCCSQVGLSA-N 2 1 318.408 3.368 20 0 DGADMP CCc1nn(C)cc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231685 623084362 /nfs/dbraw/zinc/08/43/62/623084362.db2.gz ABDXTTRBDXTZMX-CRAIPNDOSA-N 2 1 318.509 3.102 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231626 623084930 /nfs/dbraw/zinc/08/49/30/623084930.db2.gz SWTSGBJWDZUSMN-UHFFFAOYSA-N 2 1 318.440 3.271 20 0 DGADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000873232476 623085164 /nfs/dbraw/zinc/08/51/64/623085164.db2.gz RCPAKPRYVLTGIC-NVXWUHKLSA-N 2 1 317.477 3.215 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000873240543 623087541 /nfs/dbraw/zinc/08/75/41/623087541.db2.gz BBNDWDGHJKHONO-YLJYHZDGSA-N 2 1 317.521 3.045 20 0 DGADMP C[C@H](NCCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000873242206 623088284 /nfs/dbraw/zinc/08/82/84/623088284.db2.gz NGOFDDDQURSZFA-PXNSSMCTSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873268177 623098684 /nfs/dbraw/zinc/09/86/84/623098684.db2.gz SUKNSXCYYNNJAJ-HUUCEWRRSA-N 3 1 312.461 3.219 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000774682130 623175402 /nfs/dbraw/zinc/17/54/02/623175402.db2.gz FVQJHJMJESDRTE-KBRIMQKVSA-N 2 1 310.869 3.036 20 0 DGADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000774960738 623210973 /nfs/dbraw/zinc/21/09/73/623210973.db2.gz HDRASFPIIZYMRO-CYBMUJFWSA-N 2 1 323.278 3.331 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000774974826 623212815 /nfs/dbraw/zinc/21/28/15/623212815.db2.gz GLFQDCHBIXHNKD-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000774974826 623212819 /nfs/dbraw/zinc/21/28/19/623212819.db2.gz GLFQDCHBIXHNKD-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000776026709 623366569 /nfs/dbraw/zinc/36/65/69/623366569.db2.gz ULPDQFQCVUJAGT-ZSGPHXLJSA-N 2 1 322.880 3.083 20 0 DGADMP C[N@@H+](Cc1cc2c(ccnc2Cl)o1)C[C@H]1CCC[NH+](C)C1 ZINC000876598396 623656519 /nfs/dbraw/zinc/65/65/19/623656519.db2.gz WEVPXZQMHNVFQO-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP C[N@H+](Cc1cc2c(ccnc2Cl)o1)C[C@H]1CCC[NH+](C)C1 ZINC000876598396 623656524 /nfs/dbraw/zinc/65/65/24/623656524.db2.gz WEVPXZQMHNVFQO-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000876598396 623656526 /nfs/dbraw/zinc/65/65/26/623656526.db2.gz WEVPXZQMHNVFQO-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000876598396 623656531 /nfs/dbraw/zinc/65/65/31/623656531.db2.gz WEVPXZQMHNVFQO-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP CCOP(=O)(CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OCC ZINC000876764012 623701637 /nfs/dbraw/zinc/70/16/37/623701637.db2.gz JZTDKRXHWIIGAC-GJZGRUSLSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OCC ZINC000876764012 623701640 /nfs/dbraw/zinc/70/16/40/623701640.db2.gz JZTDKRXHWIIGAC-GJZGRUSLSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OCC ZINC000876764012 623701648 /nfs/dbraw/zinc/70/16/48/623701648.db2.gz JZTDKRXHWIIGAC-GJZGRUSLSA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OCC ZINC000876764012 623701651 /nfs/dbraw/zinc/70/16/51/623701651.db2.gz JZTDKRXHWIIGAC-GJZGRUSLSA-N 2 1 320.414 3.057 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876899671 623738895 /nfs/dbraw/zinc/73/88/95/623738895.db2.gz NTTIXOSGRSTDIL-UHFFFAOYSA-N 2 1 318.852 3.262 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000876924176 623745062 /nfs/dbraw/zinc/74/50/62/623745062.db2.gz NCGKINQIFGRYEM-ZOCZFRKYSA-N 2 1 318.442 3.419 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876930085 623747175 /nfs/dbraw/zinc/74/71/75/623747175.db2.gz SAWUICNISXUQDZ-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000876988833 623760645 /nfs/dbraw/zinc/76/06/45/623760645.db2.gz NIHVZGAPWQQTAX-AVYPCKFXSA-N 2 1 304.415 3.031 20 0 DGADMP Cc1cc(C)cc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)c1 ZINC000877019365 623767550 /nfs/dbraw/zinc/76/75/50/623767550.db2.gz XEZATLBHJQPLMI-UHFFFAOYSA-N 2 1 316.489 3.081 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000877020504 623768092 /nfs/dbraw/zinc/76/80/92/623768092.db2.gz WFZPVJFRRUZALH-MRUHUIDDSA-N 2 1 318.442 3.419 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437433 623770588 /nfs/dbraw/zinc/77/05/88/623770588.db2.gz FCJLCCZVVVDBCO-YRPNKDGESA-N 2 1 316.489 3.179 20 0 DGADMP OCCCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877138364 623803894 /nfs/dbraw/zinc/80/38/94/623803894.db2.gz WMNBRQFYOJJGMS-AZUAARDMSA-N 2 1 316.489 3.497 20 0 DGADMP OCCCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877138364 623803898 /nfs/dbraw/zinc/80/38/98/623803898.db2.gz WMNBRQFYOJJGMS-AZUAARDMSA-N 2 1 316.489 3.497 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000877654001 623978714 /nfs/dbraw/zinc/97/87/14/623978714.db2.gz SXAFMUFESSNXMK-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP COCC[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000877664132 623982644 /nfs/dbraw/zinc/98/26/44/623982644.db2.gz IADQNPCRRBMTJE-VQTJNVASSA-N 2 1 316.489 3.080 20 0 DGADMP COCC[N@H+](Cc1cc(C)sc1C)CC1CC[NH+](C)CC1 ZINC000877663837 623982773 /nfs/dbraw/zinc/98/27/73/623982773.db2.gz BIKHOTYJQLLMAT-UHFFFAOYSA-N 2 1 310.507 3.155 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC[C@H]1CCO1)C2 ZINC000877818166 624049449 /nfs/dbraw/zinc/04/94/49/624049449.db2.gz XZKANLOBQAYNNA-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CCC[C@H]3CCO3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877818166 624049455 /nfs/dbraw/zinc/04/94/55/624049455.db2.gz XZKANLOBQAYNNA-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CCC[C@H]3CCO3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877818166 624049459 /nfs/dbraw/zinc/04/94/59/624049459.db2.gz XZKANLOBQAYNNA-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417131 624068806 /nfs/dbraw/zinc/06/88/06/624068806.db2.gz SQBKVCWSRFANQU-DZGCQCFKSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417131 624068809 /nfs/dbraw/zinc/06/88/09/624068809.db2.gz SQBKVCWSRFANQU-DZGCQCFKSA-N 2 1 307.869 3.478 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)CC1 ZINC000878018035 624136603 /nfs/dbraw/zinc/13/66/03/624136603.db2.gz QMODZONRNWTEOG-YRPNKDGESA-N 2 1 320.521 3.388 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)O2)cc1 ZINC000878123511 624178285 /nfs/dbraw/zinc/17/82/85/624178285.db2.gz APZRATLQMNXALL-IHPCNDPISA-N 2 1 314.473 3.324 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157378 624193446 /nfs/dbraw/zinc/19/34/46/624193446.db2.gz ZTDOSIMHNAVUCW-DLBZAZTESA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157378 624193448 /nfs/dbraw/zinc/19/34/48/624193448.db2.gz ZTDOSIMHNAVUCW-DLBZAZTESA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157378 624193451 /nfs/dbraw/zinc/19/34/51/624193451.db2.gz ZTDOSIMHNAVUCW-DLBZAZTESA-N 2 1 308.510 3.244 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878166746 624197573 /nfs/dbraw/zinc/19/75/73/624197573.db2.gz DRPFLDHPKRUBPV-UHOSZYNNSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878166746 624197575 /nfs/dbraw/zinc/19/75/75/624197575.db2.gz DRPFLDHPKRUBPV-UHOSZYNNSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878166746 624197578 /nfs/dbraw/zinc/19/75/78/624197578.db2.gz DRPFLDHPKRUBPV-UHOSZYNNSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)[C@@H](O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337251 624248100 /nfs/dbraw/zinc/24/81/00/624248100.db2.gz HFFNXWJOYCNMLB-IBGZPJMESA-N 2 1 319.493 3.027 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782762591 624281005 /nfs/dbraw/zinc/28/10/05/624281005.db2.gz SICFUKVJDPYRKT-QFBILLFUSA-N 2 1 302.462 3.086 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782775524 624281794 /nfs/dbraw/zinc/28/17/94/624281794.db2.gz VJBVQVIGURSZDS-IBGZPJMESA-N 2 1 300.446 3.006 20 0 DGADMP CCOCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000782958927 624294880 /nfs/dbraw/zinc/29/48/80/624294880.db2.gz IOGHSUAAPHDVOL-GOSISDBHSA-N 2 1 320.477 3.269 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000878668125 624335929 /nfs/dbraw/zinc/33/59/29/624335929.db2.gz LPHSEMSHCAKRGY-IBGZPJMESA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000878668126 624336100 /nfs/dbraw/zinc/33/61/00/624336100.db2.gz LPHSEMSHCAKRGY-LJQANCHMSA-N 2 1 314.473 3.342 20 0 DGADMP C[NH+](C)C1CCN(c2ccc([NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000783652702 624379975 /nfs/dbraw/zinc/37/99/75/624379975.db2.gz PDYXLMCLAQXKFV-INIZCTEOSA-N 2 1 317.477 3.056 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC3CC3)C2)ccn1 ZINC000879019518 624408982 /nfs/dbraw/zinc/40/89/82/624408982.db2.gz VHVBEBQZHNYJGF-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP COCC[N@@H+](CCCSC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879126807 624430543 /nfs/dbraw/zinc/43/05/43/624430543.db2.gz NIRJAMZHUNNOIY-UHFFFAOYSA-N 2 1 316.555 3.198 20 0 DGADMP COCC[N@H+](Cc1ccccc1SC)CC1CC[NH+](C)CC1 ZINC000879127119 624433402 /nfs/dbraw/zinc/43/34/02/624433402.db2.gz RMAYDJHWHUSLSD-UHFFFAOYSA-N 2 1 322.518 3.199 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000879210341 624452188 /nfs/dbraw/zinc/45/21/88/624452188.db2.gz ZASPHUUNOUEQPA-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552073 624586129 /nfs/dbraw/zinc/58/61/29/624586129.db2.gz PLWWMDRFYXOTAJ-INIZCTEOSA-N 2 1 318.465 3.001 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552073 624586132 /nfs/dbraw/zinc/58/61/32/624586132.db2.gz PLWWMDRFYXOTAJ-INIZCTEOSA-N 2 1 318.465 3.001 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552073 624586135 /nfs/dbraw/zinc/58/61/35/624586135.db2.gz PLWWMDRFYXOTAJ-INIZCTEOSA-N 2 1 318.465 3.001 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566249 624592324 /nfs/dbraw/zinc/59/23/24/624592324.db2.gz DLFOWKGSNFKTKX-QUCCMNQESA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566249 624592331 /nfs/dbraw/zinc/59/23/31/624592331.db2.gz DLFOWKGSNFKTKX-QUCCMNQESA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566249 624592335 /nfs/dbraw/zinc/59/23/35/624592335.db2.gz DLFOWKGSNFKTKX-QUCCMNQESA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566249 624592339 /nfs/dbraw/zinc/59/23/39/624592339.db2.gz DLFOWKGSNFKTKX-QUCCMNQESA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566249 624592343 /nfs/dbraw/zinc/59/23/43/624592343.db2.gz DLFOWKGSNFKTKX-QUCCMNQESA-N 2 1 310.441 3.245 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566856 624592845 /nfs/dbraw/zinc/59/28/45/624592845.db2.gz ZNCXQDCTQMKJTP-IRXDYDNUSA-N 2 1 313.470 3.366 20 0 DGADMP CC(=O)c1c(C)cc(C)c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000879569015 624593680 /nfs/dbraw/zinc/59/36/80/624593680.db2.gz HNBNBHIXICPGLH-HKUYNNGSSA-N 2 1 314.473 3.340 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569085 624594305 /nfs/dbraw/zinc/59/43/05/624594305.db2.gz IZOWQSQHCHPHGO-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569085 624594315 /nfs/dbraw/zinc/59/43/15/624594315.db2.gz IZOWQSQHCHPHGO-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569085 624594332 /nfs/dbraw/zinc/59/43/32/624594332.db2.gz IZOWQSQHCHPHGO-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569085 624594343 /nfs/dbraw/zinc/59/43/43/624594343.db2.gz IZOWQSQHCHPHGO-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569085 624594350 /nfs/dbraw/zinc/59/43/50/624594350.db2.gz IZOWQSQHCHPHGO-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573903 624596538 /nfs/dbraw/zinc/59/65/38/624596538.db2.gz UGVLZIQGNFUWNJ-ZWKOTPCHSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573903 624596543 /nfs/dbraw/zinc/59/65/43/624596543.db2.gz UGVLZIQGNFUWNJ-ZWKOTPCHSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573903 624596549 /nfs/dbraw/zinc/59/65/49/624596549.db2.gz UGVLZIQGNFUWNJ-ZWKOTPCHSA-N 2 1 302.462 3.098 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579193 624597113 /nfs/dbraw/zinc/59/71/13/624597113.db2.gz JQTXTRKUCKEPEI-FUMNGEBKSA-N 2 1 314.473 3.323 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579193 624597122 /nfs/dbraw/zinc/59/71/22/624597122.db2.gz JQTXTRKUCKEPEI-FUMNGEBKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579193 624597126 /nfs/dbraw/zinc/59/71/26/624597126.db2.gz JQTXTRKUCKEPEI-FUMNGEBKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579193 624597129 /nfs/dbraw/zinc/59/71/29/624597129.db2.gz JQTXTRKUCKEPEI-FUMNGEBKSA-N 2 1 314.473 3.323 20 0 DGADMP CC(C)C[N@@H+](CC[C@@H](O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879703215 624645631 /nfs/dbraw/zinc/64/56/31/624645631.db2.gz FXTDZFXKQJSYTF-HXUWFJFHSA-N 2 1 318.505 3.410 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948653 624729133 /nfs/dbraw/zinc/72/91/33/624729133.db2.gz IQAGBKZLBBLTSM-UHFFFAOYSA-N 2 1 310.482 3.060 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000879950775 624730811 /nfs/dbraw/zinc/73/08/11/624730811.db2.gz BVUUFKAQSRFPRE-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259704 624875150 /nfs/dbraw/zinc/87/51/50/624875150.db2.gz ZLEHFEMBNVIQAH-TZMCWYRMSA-N 2 1 314.260 3.176 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccsc3[C@@H]2C)CC1 ZINC000880377127 624943570 /nfs/dbraw/zinc/94/35/70/624943570.db2.gz OTSZIZJIYPVIQY-INIZCTEOSA-N 2 1 321.534 3.083 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000880476248 624964475 /nfs/dbraw/zinc/96/44/75/624964475.db2.gz ROACTAHQCFEHBZ-RBUKOAKNSA-N 2 1 314.473 3.467 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[C@H](O)c1ccccc1 ZINC000880517179 624971486 /nfs/dbraw/zinc/97/14/86/624971486.db2.gz KWHJNUNAAXNTOE-IBGZPJMESA-N 2 1 304.478 3.308 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000787305653 624999466 /nfs/dbraw/zinc/99/94/66/624999466.db2.gz UAMLSMLNVARMPM-VQIMIIECSA-N 2 1 322.468 3.383 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000788489324 625195670 /nfs/dbraw/zinc/19/56/70/625195670.db2.gz XJMDINTVFYJOTC-FQEVSTJZSA-N 2 1 309.457 3.235 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788529324 625207306 /nfs/dbraw/zinc/20/73/06/625207306.db2.gz XZFNFSNOVOAUBV-OAHLLOKOSA-N 2 1 313.445 3.478 20 0 DGADMP c1cc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186355 625960002 /nfs/dbraw/zinc/96/00/02/625960002.db2.gz QEWFUFRSDIZQBK-LJQANCHMSA-N 2 1 314.473 3.256 20 0 DGADMP c1cc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186355 625960008 /nfs/dbraw/zinc/96/00/08/625960008.db2.gz QEWFUFRSDIZQBK-LJQANCHMSA-N 2 1 314.473 3.256 20 0 DGADMP Cc1ccccc1[C@@H](O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000796419716 626048534 /nfs/dbraw/zinc/04/85/34/626048534.db2.gz TXTFSBIKBVJVNQ-ICSRJNTNSA-N 2 1 316.489 3.225 20 0 DGADMP COc1c(C)cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000796949164 626098724 /nfs/dbraw/zinc/09/87/24/626098724.db2.gz OLJKZZVYSSMSGC-GFCCVEGCSA-N 2 1 307.825 3.284 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000797583151 626154863 /nfs/dbraw/zinc/15/48/63/626154863.db2.gz YZBDQWJAGXGDQN-ISARSNTHSA-N 2 1 308.510 3.434 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000798957187 626262641 /nfs/dbraw/zinc/26/26/41/626262641.db2.gz YGPVTVXEFUEIJV-UHFFFAOYSA-N 2 1 317.477 3.015 20 0 DGADMP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179325 626277676 /nfs/dbraw/zinc/27/76/76/626277676.db2.gz IRSFXFSKDDLGIO-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179326 626278046 /nfs/dbraw/zinc/27/80/46/626278046.db2.gz IRSFXFSKDDLGIO-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)CC1 ZINC000801555992 626409551 /nfs/dbraw/zinc/40/95/51/626409551.db2.gz UDINMIHXGVCEOA-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883257796 626626041 /nfs/dbraw/zinc/62/60/41/626626041.db2.gz KTOJQSBOIODTOG-QZTJIDSGSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883257796 626626043 /nfs/dbraw/zinc/62/60/43/626626043.db2.gz KTOJQSBOIODTOG-QZTJIDSGSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883257798 626626212 /nfs/dbraw/zinc/62/62/12/626626212.db2.gz KTOJQSBOIODTOG-ZWKOTPCHSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883257798 626626215 /nfs/dbraw/zinc/62/62/15/626626215.db2.gz KTOJQSBOIODTOG-ZWKOTPCHSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883257797 626626274 /nfs/dbraw/zinc/62/62/74/626626274.db2.gz KTOJQSBOIODTOG-ROUUACIJSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883257797 626626276 /nfs/dbraw/zinc/62/62/76/626626276.db2.gz KTOJQSBOIODTOG-ROUUACIJSA-N 2 1 300.446 3.289 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@H](C)C1 ZINC000883258722 626626932 /nfs/dbraw/zinc/62/69/32/626626932.db2.gz MWYRMKHOOJZAJF-CABCVRRESA-N 2 1 320.468 3.394 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883261813 626627405 /nfs/dbraw/zinc/62/74/05/626627405.db2.gz NQAYXSWFMIOKFL-OQIJWPOYSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883261813 626627410 /nfs/dbraw/zinc/62/74/10/626627410.db2.gz NQAYXSWFMIOKFL-OQIJWPOYSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883261812 626627699 /nfs/dbraw/zinc/62/76/99/626627699.db2.gz NQAYXSWFMIOKFL-NXWXRZEISA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883261812 626627703 /nfs/dbraw/zinc/62/77/03/626627703.db2.gz NQAYXSWFMIOKFL-NXWXRZEISA-N 2 1 302.462 3.054 20 0 DGADMP FC1(F)CCC[C@H]1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883274580 626632227 /nfs/dbraw/zinc/63/22/27/626632227.db2.gz OUZJQIQALGVZFZ-HOCLYGCPSA-N 2 1 316.436 3.045 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883315676 626644113 /nfs/dbraw/zinc/64/41/13/626644113.db2.gz UJZKVFWWUSYUJT-DSLXNQLJSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883315676 626644115 /nfs/dbraw/zinc/64/41/15/626644115.db2.gz UJZKVFWWUSYUJT-DSLXNQLJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000883417927 626678199 /nfs/dbraw/zinc/67/81/99/626678199.db2.gz RRNBLVCZWFNSEX-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccccc2Br)C1 ZINC000883417927 626678200 /nfs/dbraw/zinc/67/82/00/626678200.db2.gz RRNBLVCZWFNSEX-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883417710 626678248 /nfs/dbraw/zinc/67/82/48/626678248.db2.gz KROHHWYIQFPMHU-JCHJZTRSSA-N 2 1 302.462 3.356 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424113 626679640 /nfs/dbraw/zinc/67/96/40/626679640.db2.gz GOJXGDAPPCKCKN-VEHMJYNQSA-N 2 1 300.446 3.122 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883429993 626680477 /nfs/dbraw/zinc/68/04/77/626680477.db2.gz KRIWXMLNQBRXBH-UFYCRDLUSA-N 2 1 314.473 3.372 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC[C@H]2CCCC2(F)F)C1 ZINC000883435126 626681343 /nfs/dbraw/zinc/68/13/43/626681343.db2.gz LBLKAHDTLYRXOP-WCVJEAGWSA-N 2 1 316.436 3.173 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883434922 626681406 /nfs/dbraw/zinc/68/14/06/626681406.db2.gz FAJGLGZPWRXDQB-MUGJNUQGSA-N 2 1 314.473 3.358 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134929938 626893418 /nfs/dbraw/zinc/89/34/18/626893418.db2.gz RLSKEWWPRBESEY-IEBWSBKVSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cncc4ccccc43)C2)CC1 ZINC000809755572 626947073 /nfs/dbraw/zinc/94/70/73/626947073.db2.gz KXRFFBOPPVTPRK-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc4ccccc4c3)C2)CC1 ZINC000809754722 626947553 /nfs/dbraw/zinc/94/75/53/626947553.db2.gz AEFYYXFZSQXZOQ-LJQANCHMSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1OCC(F)F ZINC000885891582 627056493 /nfs/dbraw/zinc/05/64/93/627056493.db2.gz JPGWBACPQFVSEV-UHFFFAOYSA-N 2 1 300.393 3.008 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885953789 627068170 /nfs/dbraw/zinc/06/81/70/627068170.db2.gz GDXVCFSRSVTJKP-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885953789 627068171 /nfs/dbraw/zinc/06/81/71/627068171.db2.gz GDXVCFSRSVTJKP-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP Cc1n[nH]c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1C ZINC000885954331 627068378 /nfs/dbraw/zinc/06/83/78/627068378.db2.gz VFGAFFXFBLQARI-UHFFFAOYSA-N 2 1 304.482 3.161 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885969664 627073650 /nfs/dbraw/zinc/07/36/50/627073650.db2.gz ZKCJTGFWXHZCCA-DOTOQJQBSA-N 2 1 305.466 3.299 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886041811 627091296 /nfs/dbraw/zinc/09/12/96/627091296.db2.gz QPPPZQQXTRDTQO-RLLQIKCJSA-N 2 1 320.521 3.390 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)COCc1ccccc1 ZINC000886081604 627100054 /nfs/dbraw/zinc/10/00/54/627100054.db2.gz UKSFQGOYSGNYMC-KRWDZBQOSA-N 2 1 315.461 3.366 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)COCc1ccccc1 ZINC000886081604 627100056 /nfs/dbraw/zinc/10/00/56/627100056.db2.gz UKSFQGOYSGNYMC-KRWDZBQOSA-N 2 1 315.461 3.366 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081684 627100169 /nfs/dbraw/zinc/10/01/69/627100169.db2.gz VKPDHSZXOIROQH-NZSAHSFTSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081684 627100170 /nfs/dbraw/zinc/10/01/70/627100170.db2.gz VKPDHSZXOIROQH-NZSAHSFTSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081684 627100172 /nfs/dbraw/zinc/10/01/72/627100172.db2.gz VKPDHSZXOIROQH-NZSAHSFTSA-N 2 1 318.505 3.284 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)CC1CC1 ZINC000886102927 627105898 /nfs/dbraw/zinc/10/58/98/627105898.db2.gz UUIDWWGPEINNHR-PMACEKPBSA-N 2 1 320.521 3.247 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)CC(C)C ZINC000886105412 627106002 /nfs/dbraw/zinc/10/60/02/627106002.db2.gz ZEHAFZQNRINRRJ-PMACEKPBSA-N 2 1 322.537 3.493 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1)CC(C)C ZINC000886105414 627106353 /nfs/dbraw/zinc/10/63/53/627106353.db2.gz ZEHAFZQNRINRRJ-VQTJNVASSA-N 2 1 322.537 3.493 20 0 DGADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127862 627109252 /nfs/dbraw/zinc/10/92/52/627109252.db2.gz VIJDXFWLJSXZJU-RYUDHWBXSA-N 2 1 310.429 3.482 20 0 DGADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127863 627109478 /nfs/dbraw/zinc/10/94/78/627109478.db2.gz VIJDXFWLJSXZJU-VXGBXAGGSA-N 2 1 310.429 3.482 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000886315557 627135830 /nfs/dbraw/zinc/13/58/30/627135830.db2.gz RXPXDQSKKCKLLR-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP Cc1cc(C[C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n[nH]1 ZINC000886551434 627161541 /nfs/dbraw/zinc/16/15/41/627161541.db2.gz HYWOSNHBGPSRHQ-MXWWQKGMSA-N 2 1 304.482 3.036 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cnn(C)c2)C(C)C)C1 ZINC000886553868 627162036 /nfs/dbraw/zinc/16/20/36/627162036.db2.gz WYFTYYJROVJFQS-WMZOPIPTSA-N 2 1 306.498 3.075 20 0 DGADMP COCC[C@@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886625758 627175905 /nfs/dbraw/zinc/17/59/05/627175905.db2.gz ZJARUKYCFRGUQW-GTAWCEEGSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646943 627179673 /nfs/dbraw/zinc/17/96/73/627179673.db2.gz YKSWSHIENVHIJN-FFGOWVMKSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646943 627179675 /nfs/dbraw/zinc/17/96/75/627179675.db2.gz YKSWSHIENVHIJN-FFGOWVMKSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646943 627179679 /nfs/dbraw/zinc/17/96/79/627179679.db2.gz YKSWSHIENVHIJN-FFGOWVMKSA-N 2 1 314.473 3.008 20 0 DGADMP CCOc1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)nc1 ZINC000886666193 627184341 /nfs/dbraw/zinc/18/43/41/627184341.db2.gz ONLXXTCBIITCAV-UHFFFAOYSA-N 2 1 314.433 3.200 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000886715746 627196928 /nfs/dbraw/zinc/19/69/28/627196928.db2.gz CSCJINSNMIMCSB-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP CCC1([NH+]2CCC2)CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000886717696 627197449 /nfs/dbraw/zinc/19/74/49/627197449.db2.gz GOCHWQJIQMQEKK-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000886725503 627198023 /nfs/dbraw/zinc/19/80/23/627198023.db2.gz BUANTVDOZPHNOQ-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000886840017 627211403 /nfs/dbraw/zinc/21/14/03/627211403.db2.gz REFDJQLDRLCFDL-MSOLQXFVSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000886858104 627211408 /nfs/dbraw/zinc/21/14/08/627211408.db2.gz MHKQMFPRJMKDJW-QGZVFWFLSA-N 2 1 321.534 3.486 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886869842 627211693 /nfs/dbraw/zinc/21/16/93/627211693.db2.gz JQDSQPOFFNJVQF-KRWDZBQOSA-N 2 1 310.388 3.254 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cccc2cccnc21 ZINC000887130718 627227715 /nfs/dbraw/zinc/22/77/15/627227715.db2.gz JGWDVXNHXNBMCQ-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851434 627429924 /nfs/dbraw/zinc/42/99/24/627429924.db2.gz RRSVQSFJKJJQNT-YJBOKZPZSA-N 2 1 301.434 3.026 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851434 627429926 /nfs/dbraw/zinc/42/99/26/627429926.db2.gz RRSVQSFJKJJQNT-YJBOKZPZSA-N 2 1 301.434 3.026 20 0 DGADMP C[C@@H](CCCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880629 627518334 /nfs/dbraw/zinc/51/83/34/627518334.db2.gz HMIRFDQLUZPGFF-OHSMVPPVSA-N 2 1 316.489 3.323 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CCCC1 ZINC000924578761 627651394 /nfs/dbraw/zinc/65/13/94/627651394.db2.gz RQPNYFAJFZJABH-SJLPKXTDSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)Cc1ccccc1 ZINC000924580545 627651814 /nfs/dbraw/zinc/65/18/14/627651814.db2.gz VHVPUEGYAWLDEI-WOJBJXKFSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C1CCCCC1 ZINC000924601900 627655806 /nfs/dbraw/zinc/65/58/06/627655806.db2.gz SLMSKSBAGPQZQV-HKUYNNGSSA-N 2 1 308.510 3.436 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924693626 627668552 /nfs/dbraw/zinc/66/85/52/627668552.db2.gz FACJCWNKDOLYJT-GUDVDZBRSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698596 627669288 /nfs/dbraw/zinc/66/92/88/627669288.db2.gz MUMOCDMZETWXLW-KFKAGJAMSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698596 627669290 /nfs/dbraw/zinc/66/92/90/627669290.db2.gz MUMOCDMZETWXLW-KFKAGJAMSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698596 627669292 /nfs/dbraw/zinc/66/92/92/627669292.db2.gz MUMOCDMZETWXLW-KFKAGJAMSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698598 627669442 /nfs/dbraw/zinc/66/94/42/627669442.db2.gz MUMOCDMZETWXLW-ZYSHUDEJSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698598 627669444 /nfs/dbraw/zinc/66/94/44/627669444.db2.gz MUMOCDMZETWXLW-ZYSHUDEJSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698598 627669447 /nfs/dbraw/zinc/66/94/47/627669447.db2.gz MUMOCDMZETWXLW-ZYSHUDEJSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccnn1C1CCC1)C[NH+]1CCCCC1 ZINC000924719982 627672667 /nfs/dbraw/zinc/67/26/67/627672667.db2.gz FEJRWCSDOLEPJZ-HOTGVXAUSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)ccnc21)C[NH+]1CCCC1 ZINC000924717808 627672754 /nfs/dbraw/zinc/67/27/54/627672754.db2.gz XDJVOMQAZQIQIW-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@H](CN[C@H](C)c1cccc(C[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000924718528 627672865 /nfs/dbraw/zinc/67/28/65/627672865.db2.gz ZJGLHGJWOTZEOY-IAGOWNOFSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCc2c1nccc2Cl)C[NH+]1CCCCC1 ZINC000924720195 627673290 /nfs/dbraw/zinc/67/32/90/627673290.db2.gz GULXFRXMNNUGQR-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)cc1F ZINC000924778785 627679169 /nfs/dbraw/zinc/67/91/69/627679169.db2.gz YBXMBQWEQHFYKG-STQMWFEESA-N 2 1 317.408 3.080 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000924783789 627679208 /nfs/dbraw/zinc/67/92/08/627679208.db2.gz YNCVWGIQYVDVOR-XEOGZFBHSA-N 2 1 314.473 3.084 20 0 DGADMP C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000924912871 627692970 /nfs/dbraw/zinc/69/29/70/627692970.db2.gz DVBKAVQNMDVSEO-OAHLLOKOSA-N 2 1 312.461 3.132 20 0 DGADMP CC[C@@](C)(O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924993825 627700092 /nfs/dbraw/zinc/70/00/92/627700092.db2.gz RDRKHKYYOMLRQO-RAFMOHDBSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2OCCc3sccc32)CC1 ZINC000925160941 627715299 /nfs/dbraw/zinc/71/52/99/627715299.db2.gz OACXPORMOVJTGN-QGZVFWFLSA-N 2 1 322.518 3.462 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490682 627741662 /nfs/dbraw/zinc/74/16/62/627741662.db2.gz CGCUOZINKJOFIK-XGXHKWSGSA-N 2 1 315.505 3.318 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925490682 627741663 /nfs/dbraw/zinc/74/16/63/627741663.db2.gz CGCUOZINKJOFIK-XGXHKWSGSA-N 2 1 315.505 3.318 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925490042 627741744 /nfs/dbraw/zinc/74/17/44/627741744.db2.gz AFHUEJZQMNAOSH-QYZOEREBSA-N 2 1 315.505 3.005 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925490042 627741747 /nfs/dbraw/zinc/74/17/47/627741747.db2.gz AFHUEJZQMNAOSH-QYZOEREBSA-N 3 1 315.505 3.005 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925490042 627741749 /nfs/dbraw/zinc/74/17/49/627741749.db2.gz AFHUEJZQMNAOSH-QYZOEREBSA-N 3 1 315.505 3.005 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925496395 627742361 /nfs/dbraw/zinc/74/23/61/627742361.db2.gz YQWDWVKNUQLZGG-PKOBYXMFSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000925543715 627751148 /nfs/dbraw/zinc/75/11/48/627751148.db2.gz ODMZDDPKBIYIPH-FXAWDEMLSA-N 2 1 324.468 3.413 20 0 DGADMP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925564657 627755233 /nfs/dbraw/zinc/75/52/33/627755233.db2.gz ZWDJQGLOQIGPFS-CQSZACIVSA-N 2 1 314.351 3.002 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000925587717 627759428 /nfs/dbraw/zinc/75/94/28/627759428.db2.gz JDBMLNQGQOZOGM-QRQLOZEOSA-N 2 1 308.510 3.149 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)C12CCC2 ZINC000925607557 627762239 /nfs/dbraw/zinc/76/22/39/627762239.db2.gz VVOXQTNNQSPHPA-QZTJIDSGSA-N 2 1 323.440 3.020 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620935 627764346 /nfs/dbraw/zinc/76/43/46/627764346.db2.gz DRDHKAXQHNUHGK-QRQLOZEOSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H](CCN[C@H]2CC[NH2+]C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000925620935 627764348 /nfs/dbraw/zinc/76/43/48/627764348.db2.gz DRDHKAXQHNUHGK-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H](CCN[C@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620935 627764351 /nfs/dbraw/zinc/76/43/51/627764351.db2.gz DRDHKAXQHNUHGK-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP COc1cccc2[nH]cc(CC[NH2+][C@H](c3ccccc3)[C@H](C)[NH3+])c21 ZINC000925629509 627765459 /nfs/dbraw/zinc/76/54/59/627765459.db2.gz NOCNDTVJRHVLIM-XOBRGWDASA-N 2 1 323.440 3.397 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CCO2 ZINC000925643565 627768484 /nfs/dbraw/zinc/76/84/84/627768484.db2.gz FVGKNTAJENCJJZ-OKZBNKHCSA-N 2 1 318.436 3.407 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925641201 627768562 /nfs/dbraw/zinc/76/85/62/627768562.db2.gz WRPAZLKGLKTCTA-SQNIBIBYSA-N 2 1 300.446 3.171 20 0 DGADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925644567 627768880 /nfs/dbraw/zinc/76/88/80/627768880.db2.gz NFCHCFIYDVAFHJ-OLZOCXBDSA-N 2 1 320.868 3.222 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925646094 627768932 /nfs/dbraw/zinc/76/89/32/627768932.db2.gz SQBOHFINYNDPAY-NXHRZFHOSA-N 2 1 318.436 3.407 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925646097 627768993 /nfs/dbraw/zinc/76/89/93/627768993.db2.gz SQBOHFINYNDPAY-SZMVWBNQSA-N 2 1 318.436 3.407 20 0 DGADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925686503 627776657 /nfs/dbraw/zinc/77/66/57/627776657.db2.gz VMNIXHINEJNJBN-GUYCJALGSA-N 2 1 306.425 3.030 20 0 DGADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1Br ZINC000925741859 627785763 /nfs/dbraw/zinc/78/57/63/627785763.db2.gz VKZWZOVFRVUEQC-SECBINFHSA-N 2 1 303.219 3.366 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000925759961 627790637 /nfs/dbraw/zinc/79/06/37/627790637.db2.gz JHSPNGCAGPDZBD-HNNXBMFYSA-N 2 1 312.461 3.351 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000925770435 627792332 /nfs/dbraw/zinc/79/23/32/627792332.db2.gz TXRYUJLRGMUWLF-YRXWBPOGSA-N 2 1 302.462 3.275 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Oc2ccccc2)cn1 ZINC000925786547 627795615 /nfs/dbraw/zinc/79/56/15/627795615.db2.gz TXSPNLGMWSZGQR-PMPSAXMXSA-N 2 1 311.429 3.380 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCCC[NH+]2CCNCC2)C2CC2)cc1 ZINC000925843096 627805168 /nfs/dbraw/zinc/80/51/68/627805168.db2.gz CGUBUNXMFHSQLV-FQEVSTJZSA-N 2 1 315.505 3.111 20 0 DGADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925891079 627812974 /nfs/dbraw/zinc/81/29/74/627812974.db2.gz RSKUAMNSVCPLIA-PMXSJFBMSA-N 2 1 322.452 3.118 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119739 627847332 /nfs/dbraw/zinc/84/73/32/627847332.db2.gz PZNDQGJWPXLRSC-ZWJWXYIHSA-N 2 1 320.521 3.434 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000926185675 627856775 /nfs/dbraw/zinc/85/67/75/627856775.db2.gz UZJHWQGXOZTSBV-YOFSQIOKSA-N 2 1 307.441 3.178 20 0 DGADMP CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926532521 627909496 /nfs/dbraw/zinc/90/94/96/627909496.db2.gz MLAALILFWBAKAJ-HUUCEWRRSA-N 2 1 300.450 3.376 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000926559469 627914049 /nfs/dbraw/zinc/91/40/49/627914049.db2.gz OMOGQEJGUQYLAZ-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736613 627943369 /nfs/dbraw/zinc/94/33/69/627943369.db2.gz ZVSATNWYYJBKSO-DZGCQCFKSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736613 627943378 /nfs/dbraw/zinc/94/33/78/627943378.db2.gz ZVSATNWYYJBKSO-DZGCQCFKSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736613 627943382 /nfs/dbraw/zinc/94/33/82/627943382.db2.gz ZVSATNWYYJBKSO-DZGCQCFKSA-N 2 1 306.425 3.304 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752909 627946764 /nfs/dbraw/zinc/94/67/64/627946764.db2.gz DJYFFETYLXVBLM-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752909 627946765 /nfs/dbraw/zinc/94/67/65/627946765.db2.gz DJYFFETYLXVBLM-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752909 627946767 /nfs/dbraw/zinc/94/67/67/627946767.db2.gz DJYFFETYLXVBLM-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926778245 627951838 /nfs/dbraw/zinc/95/18/38/627951838.db2.gz OQAHRTLEYMLLCF-MTNOOBJLSA-N 2 1 316.489 3.015 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897852 627955167 /nfs/dbraw/zinc/95/51/67/627955167.db2.gz XHECWVQBMNHCSS-AOIWGVFYSA-N 2 1 301.478 3.084 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817897375 627955313 /nfs/dbraw/zinc/95/53/13/627955313.db2.gz NBBDDTMRTBEBCN-NEWSRXKRSA-N 2 1 301.478 3.084 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2F)c2ccccc21 ZINC000817898324 627955541 /nfs/dbraw/zinc/95/55/41/627955541.db2.gz GEECVSIDCMJWTG-IAGOWNOFSA-N 2 1 300.377 3.329 20 0 DGADMP CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817897377 627955619 /nfs/dbraw/zinc/95/56/19/627955619.db2.gz NBBDDTMRTBEBCN-UHOSZYNNSA-N 2 1 301.478 3.084 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)c2ccccc21 ZINC000817917637 627961442 /nfs/dbraw/zinc/96/14/42/627961442.db2.gz QMUSVBWYXUFHSH-CEXWTWQISA-N 2 1 308.425 3.235 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817936713 627966927 /nfs/dbraw/zinc/96/69/27/627966927.db2.gz MAJVKRPIRQTOQN-YUTCNCBUSA-N 2 1 301.261 3.118 20 0 DGADMP C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926893462 627973295 /nfs/dbraw/zinc/97/32/95/627973295.db2.gz GYIPVAZIEVVVCB-RDTXWAMCSA-N 2 1 310.445 3.340 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977988 627981489 /nfs/dbraw/zinc/98/14/89/627981489.db2.gz SKMJCCUWBGIHLF-XHSDSOJGSA-N 3 1 319.493 3.067 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)nc1 ZINC000817986519 627984532 /nfs/dbraw/zinc/98/45/32/627984532.db2.gz QXMLXFFELLXGFW-DGCLKSJQSA-N 2 1 324.266 3.169 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)nc1 ZINC000817986518 627984581 /nfs/dbraw/zinc/98/45/81/627984581.db2.gz QXMLXFFELLXGFW-AAEUAGOBSA-N 2 1 324.266 3.169 20 0 DGADMP CCC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000927019426 627999134 /nfs/dbraw/zinc/99/91/34/627999134.db2.gz SJAYJFXDPYCTOF-RAFMOHDBSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)CCN1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927040601 628001649 /nfs/dbraw/zinc/00/16/49/628001649.db2.gz YYWYYLZDSKNRNP-UHFFFAOYSA-N 2 1 321.553 3.494 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCSC3(CCC3)C2)CC1 ZINC000927041499 628001777 /nfs/dbraw/zinc/00/17/77/628001777.db2.gz ZFTDJOPATVYJNQ-SJORKVTESA-N 2 1 324.534 3.038 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000818959594 628067258 /nfs/dbraw/zinc/06/72/58/628067258.db2.gz OMVKLZRODWCMHQ-HKUYNNGSSA-N 2 1 304.478 3.273 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000818959209 628067376 /nfs/dbraw/zinc/06/73/76/628067376.db2.gz FSGGDMZAIUWHLZ-APWZRJJASA-N 2 1 304.478 3.130 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000818959595 628067408 /nfs/dbraw/zinc/06/74/08/628067408.db2.gz OMVKLZRODWCMHQ-IEBWSBKVSA-N 2 1 304.478 3.273 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1F ZINC000818959292 628067541 /nfs/dbraw/zinc/06/75/41/628067541.db2.gz HNKGCECTQJBIHN-QAPCUYQASA-N 2 1 308.441 3.103 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc2ccccc21 ZINC000818959317 628067575 /nfs/dbraw/zinc/06/75/75/628067575.db2.gz HYZABLAWQHPUKB-ZCNNSNEGSA-N 2 1 310.441 3.090 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc2ccccc21 ZINC000818959317 628067578 /nfs/dbraw/zinc/06/75/78/628067578.db2.gz HYZABLAWQHPUKB-ZCNNSNEGSA-N 2 1 310.441 3.090 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818960928 628068056 /nfs/dbraw/zinc/06/80/56/628068056.db2.gz JNQWVIAKMXSEGD-YRNRMSPPSA-N 2 1 316.489 3.025 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000818969177 628069370 /nfs/dbraw/zinc/06/93/70/628069370.db2.gz NBWQCEMBMIWFQL-MRXNPFEDSA-N 2 1 316.445 3.319 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1)C(C)C ZINC000819126743 628096760 /nfs/dbraw/zinc/09/67/60/628096760.db2.gz QURZXQRNUIZNLT-QGZVFWFLSA-N 2 1 312.885 3.472 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819273773 628124985 /nfs/dbraw/zinc/12/49/85/628124985.db2.gz GEJSEIAXUIGTMQ-FPOVZHCZSA-N 2 1 324.468 3.140 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n[nH]1 ZINC000820820760 628300550 /nfs/dbraw/zinc/30/05/50/628300550.db2.gz BIEWPTAHQYDXJC-DZGCQCFKSA-N 2 1 300.450 3.062 20 0 DGADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820824582 628301060 /nfs/dbraw/zinc/30/10/60/628301060.db2.gz USHBPYDVJIMWEJ-DBKFYXDTSA-N 2 1 306.494 3.185 20 0 DGADMP CN(C)c1[nH+]ccc2cc(NC(=O)CC[NH2+]C(C)(C)C)ccc21 ZINC000821020672 628327242 /nfs/dbraw/zinc/32/72/42/628327242.db2.gz ICVBBCAHEFIQQC-UHFFFAOYSA-N 2 1 314.433 3.018 20 0 DGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000822476579 628455682 /nfs/dbraw/zinc/45/56/82/628455682.db2.gz PPYSAGKOXCJHDV-KSZLIROESA-N 2 1 304.503 3.382 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000823601906 628578552 /nfs/dbraw/zinc/57/85/52/628578552.db2.gz FTHBYMWZLADNQO-UHFFFAOYSA-N 2 1 319.399 3.491 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccnc(Cl)c3F)C2)CC1 ZINC000824388463 628657259 /nfs/dbraw/zinc/65/72/59/628657259.db2.gz DFLGTXLBMMKETC-CYBMUJFWSA-N 2 1 311.832 3.038 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3F)C2)CC1 ZINC000824388463 628657261 /nfs/dbraw/zinc/65/72/61/628657261.db2.gz DFLGTXLBMMKETC-CYBMUJFWSA-N 2 1 311.832 3.038 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000830227209 629241104 /nfs/dbraw/zinc/24/11/04/629241104.db2.gz CIIYRMIZQIFTGP-KRWDZBQOSA-N 2 1 304.478 3.124 20 0 DGADMP Cc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)o1 ZINC000121390557 629258926 /nfs/dbraw/zinc/25/89/26/629258926.db2.gz RSFYCSFQQZGTJI-UHFFFAOYSA-N 2 1 314.433 3.062 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925485080 629568142 /nfs/dbraw/zinc/56/81/42/629568142.db2.gz APJVFGUDLNFPNN-RTBURBONSA-N 2 1 303.494 3.321 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925485080 629568145 /nfs/dbraw/zinc/56/81/45/629568145.db2.gz APJVFGUDLNFPNN-RTBURBONSA-N 2 1 303.494 3.321 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000834831983 629787147 /nfs/dbraw/zinc/78/71/47/629787147.db2.gz LZEOYWYCGAVJEM-CTWPCTMYSA-N 2 1 324.472 3.361 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000840808173 630360644 /nfs/dbraw/zinc/36/06/44/630360644.db2.gz IXYZNHDOXWWYJS-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840808626 630360742 /nfs/dbraw/zinc/36/07/42/630360742.db2.gz NFCFYHSPKWMHSO-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841049155 630402525 /nfs/dbraw/zinc/40/25/25/630402525.db2.gz NQEWWYJNDHEBML-CYBMUJFWSA-N 2 1 320.868 3.334 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000841054565 630403217 /nfs/dbraw/zinc/40/32/17/630403217.db2.gz FMIFEDIXMAVEJW-KBPBESRZSA-N 2 1 318.852 3.194 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843044034 630607604 /nfs/dbraw/zinc/60/76/04/630607604.db2.gz AGJNWSJUKVAXGZ-ZDUSSCGKSA-N 2 1 300.418 3.433 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843044034 630607607 /nfs/dbraw/zinc/60/76/07/630607607.db2.gz AGJNWSJUKVAXGZ-ZDUSSCGKSA-N 2 1 300.418 3.433 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000843053558 630608896 /nfs/dbraw/zinc/60/88/96/630608896.db2.gz CFRJNLFIZCOAKC-AGUYFDCRSA-N 2 1 314.351 3.429 20 0 DGADMP FC(F)(F)c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000843119152 630615786 /nfs/dbraw/zinc/61/57/86/630615786.db2.gz HFGDHPJUIBPDPJ-UKRRQHHQSA-N 2 1 312.379 3.494 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cnc1Cl ZINC000843128435 630617343 /nfs/dbraw/zinc/61/73/43/630617343.db2.gz XKYGZAKWWSUNTP-JKSUJKDBSA-N 2 1 307.869 3.255 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000843359041 630649105 /nfs/dbraw/zinc/64/91/05/630649105.db2.gz FDSFKAQJECMPFE-BZUAXINKSA-N 2 1 308.491 3.026 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c2cc1C ZINC000843355387 630649272 /nfs/dbraw/zinc/64/92/72/630649272.db2.gz ZLQLHENDEZUQBC-QGZVFWFLSA-N 2 1 316.445 3.215 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c2cc1C ZINC000843355387 630649276 /nfs/dbraw/zinc/64/92/76/630649276.db2.gz ZLQLHENDEZUQBC-QGZVFWFLSA-N 2 1 316.445 3.215 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCCCCO ZINC000843376419 630650960 /nfs/dbraw/zinc/65/09/60/630650960.db2.gz IAXLHYNMKVMDCY-UXHICEINSA-N 2 1 318.505 3.211 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCCCCO ZINC000843376420 630651043 /nfs/dbraw/zinc/65/10/43/630651043.db2.gz IAXLHYNMKVMDCY-VQTJNVASSA-N 2 1 318.505 3.211 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000844202349 630712121 /nfs/dbraw/zinc/71/21/21/630712121.db2.gz DAXMUZVIEOSRIZ-KRWDZBQOSA-N 2 1 323.525 3.009 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])[C@@H]1CCCN(c2ccccc2)C1 ZINC000844221788 630712916 /nfs/dbraw/zinc/71/29/16/630712916.db2.gz KJUZTKMJGKXBPY-LJQANCHMSA-N 2 1 303.494 3.496 20 0 DGADMP Cc1ccccc1CN1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000844221587 630712918 /nfs/dbraw/zinc/71/29/18/630712918.db2.gz HAQGGYBQVOIDTJ-UHFFFAOYSA-N 2 1 317.521 3.412 20 0 DGADMP Cc1ccccc1C[N@@H+]1CCCN(CCCCCCC[NH3+])CC1 ZINC000844221587 630712919 /nfs/dbraw/zinc/71/29/19/630712919.db2.gz HAQGGYBQVOIDTJ-UHFFFAOYSA-N 2 1 317.521 3.412 20 0 DGADMP Cc1ccccc1C[N@H+]1CCCN(CCCCCCC[NH3+])CC1 ZINC000844221587 630712920 /nfs/dbraw/zinc/71/29/20/630712920.db2.gz HAQGGYBQVOIDTJ-UHFFFAOYSA-N 2 1 317.521 3.412 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000844221994 630712963 /nfs/dbraw/zinc/71/29/63/630712963.db2.gz PZVFJWWUKUQNBN-IBGZPJMESA-N 3 1 309.542 3.484 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000844904737 630973195 /nfs/dbraw/zinc/97/31/95/630973195.db2.gz PIPXNYFWVPHBLJ-UHFFFAOYSA-N 2 1 308.784 3.236 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000844913026 630978823 /nfs/dbraw/zinc/97/88/23/630978823.db2.gz XMMTUASXYFMTRV-BMFZPTHFSA-N 2 1 323.506 3.127 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846106228 631209997 /nfs/dbraw/zinc/20/99/97/631209997.db2.gz YOKNHZNDFWOGKB-GFCCVEGCSA-N 2 1 302.249 3.211 20 0 DGADMP [NH3+]CCCCCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000846221326 631215688 /nfs/dbraw/zinc/21/56/88/631215688.db2.gz XBYLDGFKOYJXML-UHFFFAOYSA-N 2 1 308.441 3.326 20 0 DGADMP CC(C)c1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000848549208 631688554 /nfs/dbraw/zinc/68/85/54/631688554.db2.gz PFLLEWNYQSOOQP-KRWDZBQOSA-N 2 1 304.478 3.401 20 0 DGADMP CC(C)CNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989167 631798862 /nfs/dbraw/zinc/79/88/62/631798862.db2.gz CFQMHSXTFDAYIU-WMZOPIPTSA-N 2 1 316.493 3.057 20 0 DGADMP CCN(CC)C(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989270 631799234 /nfs/dbraw/zinc/79/92/34/631799234.db2.gz JXLYJXNHTCCEAA-SJLPKXTDSA-N 2 1 316.493 3.153 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000848996099 631801078 /nfs/dbraw/zinc/80/10/78/631801078.db2.gz DSEAJMLTFLRZIR-OAHLLOKOSA-N 2 1 314.477 3.232 20 0 DGADMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000849005421 631803810 /nfs/dbraw/zinc/80/38/10/631803810.db2.gz DCXSTGAQSOTQMJ-UHFFFAOYSA-N 2 1 306.454 3.142 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000849023042 631808933 /nfs/dbraw/zinc/80/89/33/631808933.db2.gz HGXYQMLROXEHKP-KRWDZBQOSA-N 2 1 300.450 3.202 20 0 DGADMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000849023185 631809335 /nfs/dbraw/zinc/80/93/35/631809335.db2.gz WAMPYTMFBYGYMI-KRWDZBQOSA-N 2 1 300.450 3.202 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849023890 631809952 /nfs/dbraw/zinc/80/99/52/631809952.db2.gz KDADLPLLNLPYBL-CQSZACIVSA-N 2 1 310.392 3.021 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849029688 631812548 /nfs/dbraw/zinc/81/25/48/631812548.db2.gz HNROWLCOQVKPGO-FUHWJXTLSA-N 2 1 316.493 3.201 20 0 DGADMP CCc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000849058219 631822210 /nfs/dbraw/zinc/82/22/10/631822210.db2.gz LCOOFIMBHXRVIX-UHFFFAOYSA-N 2 1 302.466 3.450 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000849065584 631824968 /nfs/dbraw/zinc/82/49/68/631824968.db2.gz LCYSCEKZIBGUKD-INIZCTEOSA-N 2 1 316.493 3.119 20 0 DGADMP Cc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849096010 631833464 /nfs/dbraw/zinc/83/34/64/631833464.db2.gz WOTHUSZQTJGKJE-SFHVURJKSA-N 2 1 322.456 3.453 20 0 DGADMP C[C@@]1(CNC(=[NH2+])N2CCCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000849098393 631835075 /nfs/dbraw/zinc/83/50/75/631835075.db2.gz ZLURKAKXUFDDQW-IBGZPJMESA-N 2 1 314.477 3.051 20 0 DGADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCCCCC1 ZINC000849105896 631837186 /nfs/dbraw/zinc/83/71/86/631837186.db2.gz HTOZSJQQSUNYRC-KRWDZBQOSA-N 2 1 306.498 3.184 20 0 DGADMP CCCCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850506472 632174528 /nfs/dbraw/zinc/17/45/28/632174528.db2.gz DKKJGKSPQCMQDM-VQIMIIECSA-N 2 1 304.478 3.312 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852115300 632558275 /nfs/dbraw/zinc/55/82/75/632558275.db2.gz NXRGQFOLRXXTLJ-NRFANRHFSA-N 2 1 324.468 3.283 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000453106428 660484931 /nfs/dbraw/zinc/48/49/31/660484931.db2.gz JFHFOWWDQRVWDG-QZTJIDSGSA-N 2 1 302.462 3.186 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C12CCC2 ZINC000453194863 660485932 /nfs/dbraw/zinc/48/59/32/660485932.db2.gz IMSNCNSHJBDZOJ-UOVPBQLFSA-N 2 1 306.494 3.187 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000700615663 660630888 /nfs/dbraw/zinc/63/08/88/660630888.db2.gz APHUMPBOTDBJIU-IBGZPJMESA-N 2 1 304.478 3.161 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000709476833 660928507 /nfs/dbraw/zinc/92/85/07/660928507.db2.gz FKYVXVYURZVKOL-UHFFFAOYSA-N 2 1 319.449 3.217 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795900175 661177878 /nfs/dbraw/zinc/17/78/78/661177878.db2.gz SDTMPMADOQONBW-QGZVFWFLSA-N 2 1 324.509 3.164 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000723674887 655715731 /nfs/dbraw/zinc/71/57/31/655715731.db2.gz GCQPJBREZJHAJZ-SNVBAGLBSA-N 2 1 317.658 3.273 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C1CCC([NH3+])CC1 ZINC000091844720 655737581 /nfs/dbraw/zinc/73/75/81/655737581.db2.gz FEUUXZUCQQBTRZ-UHFFFAOYSA-N 2 1 315.230 3.290 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161296036 655780524 /nfs/dbraw/zinc/78/05/24/655780524.db2.gz CKWVSTVXKNXUFZ-CALCHBBNSA-N 2 1 324.509 3.020 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554101 655786579 /nfs/dbraw/zinc/78/65/79/655786579.db2.gz AAOYLGFGIQQIRJ-MAUKXSAKSA-N 2 1 304.482 3.208 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554101 655786581 /nfs/dbraw/zinc/78/65/81/655786581.db2.gz AAOYLGFGIQQIRJ-MAUKXSAKSA-N 2 1 304.482 3.208 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1Br ZINC000051919512 655794537 /nfs/dbraw/zinc/79/45/37/655794537.db2.gz QXBYHJPUMGOMGH-ZDUSSCGKSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000161421111 655795317 /nfs/dbraw/zinc/79/53/17/655795317.db2.gz PYUPBXNPDOFNGV-HCKVZZMMSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000161421111 655795318 /nfs/dbraw/zinc/79/53/18/655795318.db2.gz PYUPBXNPDOFNGV-HCKVZZMMSA-N 2 1 317.260 3.099 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1c1ccccc1 ZINC000261620104 655804908 /nfs/dbraw/zinc/80/49/08/655804908.db2.gz CXNLOEGQERBBPW-WBVHZDCISA-N 2 1 323.396 3.109 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1c1ccccc1 ZINC000261620104 655804910 /nfs/dbraw/zinc/80/49/10/655804910.db2.gz CXNLOEGQERBBPW-WBVHZDCISA-N 2 1 323.396 3.109 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000248144427 655807455 /nfs/dbraw/zinc/80/74/55/655807455.db2.gz PYUPBXNPDOFNGV-IXPVHAAZSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000248144427 655807456 /nfs/dbraw/zinc/80/74/56/655807456.db2.gz PYUPBXNPDOFNGV-IXPVHAAZSA-N 2 1 317.260 3.099 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC ZINC001024752035 655935660 /nfs/dbraw/zinc/93/56/60/655935660.db2.gz ODQXUCWQUAJMQF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC ZINC001024752035 655935661 /nfs/dbraw/zinc/93/56/61/655935661.db2.gz ODQXUCWQUAJMQF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC ZINC001024752035 655935662 /nfs/dbraw/zinc/93/56/62/655935662.db2.gz ODQXUCWQUAJMQF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892624862 655965269 /nfs/dbraw/zinc/96/52/69/655965269.db2.gz XVHOBFMRCVHIAX-UHFFFAOYSA-N 2 1 305.372 3.396 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000181456552 656099250 /nfs/dbraw/zinc/09/92/50/656099250.db2.gz LYWFHGATSKFDOT-UHFFFAOYSA-N 2 1 322.522 3.404 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764393 656763936 /nfs/dbraw/zinc/76/39/36/656763936.db2.gz NWRULBOOUNZMAE-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000900005024 657064884 /nfs/dbraw/zinc/06/48/84/657064884.db2.gz WIDMYCDVXWTLMS-IUODEOHRSA-N 2 1 302.422 3.234 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000067222792 657065260 /nfs/dbraw/zinc/06/52/60/657065260.db2.gz VSFXBWWVSNWAHN-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000067222792 657065266 /nfs/dbraw/zinc/06/52/66/657065266.db2.gz VSFXBWWVSNWAHN-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000261996992 657276785 /nfs/dbraw/zinc/27/67/85/657276785.db2.gz SXRRBDDVJMQFFF-OAHLLOKOSA-N 2 1 300.377 3.399 20 0 DGADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262104962 657363520 /nfs/dbraw/zinc/36/35/20/657363520.db2.gz VWYZLBPUQFCYOL-UHFFFAOYSA-N 2 1 317.452 3.001 20 0 DGADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000067453113 657392294 /nfs/dbraw/zinc/39/22/94/657392294.db2.gz YCOKNKNZOVIEDN-HDICACEKSA-N 2 1 304.478 3.282 20 0 DGADMP COC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319130682 659604657 /nfs/dbraw/zinc/60/46/57/659604657.db2.gz FPWOWFRFMMMQGZ-IBGZPJMESA-N 2 1 316.489 3.447 20 0 DGADMP c1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000929509312 661313837 /nfs/dbraw/zinc/31/38/37/661313837.db2.gz IRXVSRZYXCVWJJ-INIZCTEOSA-N 2 1 307.507 3.274 20 0 DGADMP c1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000929509312 661313841 /nfs/dbraw/zinc/31/38/41/661313841.db2.gz IRXVSRZYXCVWJJ-INIZCTEOSA-N 2 1 307.507 3.274 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929505359 661313885 /nfs/dbraw/zinc/31/38/85/661313885.db2.gz HRZPOSLYHJDKQV-MUJYYYPQSA-N 2 1 300.437 3.330 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929762338 661335775 /nfs/dbraw/zinc/33/57/75/661335775.db2.gz FHHPAIONRADTAL-QZTJIDSGSA-N 2 1 306.494 3.142 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930061633 661362478 /nfs/dbraw/zinc/36/24/78/661362478.db2.gz ULHLOCBKQLHRME-BHIYHBOVSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930061633 661362480 /nfs/dbraw/zinc/36/24/80/661362480.db2.gz ULHLOCBKQLHRME-BHIYHBOVSA-N 2 1 318.505 3.427 20 0 DGADMP C[C@H](c1ccc(F)nc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117731 661368180 /nfs/dbraw/zinc/36/81/80/661368180.db2.gz WPAFEYMCBRJHBP-CQSZACIVSA-N 2 1 301.409 3.475 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930558961 661410828 /nfs/dbraw/zinc/41/08/28/661410828.db2.gz RWEPGTUATTUCSN-BRWVUGGUSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930558961 661410829 /nfs/dbraw/zinc/41/08/29/661410829.db2.gz RWEPGTUATTUCSN-BRWVUGGUSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930558961 661410830 /nfs/dbraw/zinc/41/08/30/661410830.db2.gz RWEPGTUATTUCSN-BRWVUGGUSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930578250 661412503 /nfs/dbraw/zinc/41/25/03/661412503.db2.gz RJYRBNKVVMNTHI-KURKYZTESA-N 2 1 320.427 3.453 20 0 DGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930678332 661421079 /nfs/dbraw/zinc/42/10/79/661421079.db2.gz WPLQPJOPRFPRDI-HZPDHXFCSA-N 2 1 308.416 3.499 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)C3CC3)C2)ccn1 ZINC000931095075 661451874 /nfs/dbraw/zinc/45/18/74/661451874.db2.gz ROAQQWOUEHMWNC-KXBFYZLASA-N 2 1 317.477 3.173 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)C3CC3)C2)ccn1 ZINC000931095075 661451875 /nfs/dbraw/zinc/45/18/75/661451875.db2.gz ROAQQWOUEHMWNC-KXBFYZLASA-N 2 1 317.477 3.173 20 0 DGADMP C[N@H+]1C[C@@]2(C)CN(C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@@]2(C)C1 ZINC000931316146 661466083 /nfs/dbraw/zinc/46/60/83/661466083.db2.gz GLGUODMMPROXFE-TVFCKZIOSA-N 2 1 320.427 3.309 20 0 DGADMP CN1C[C@]2(C)C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC000931316146 661466085 /nfs/dbraw/zinc/46/60/85/661466085.db2.gz GLGUODMMPROXFE-TVFCKZIOSA-N 2 1 320.427 3.309 20 0 DGADMP CN1C[C@]2(C)C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC000931316146 661466087 /nfs/dbraw/zinc/46/60/87/661466087.db2.gz GLGUODMMPROXFE-TVFCKZIOSA-N 2 1 320.427 3.309 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC000931316146 661466088 /nfs/dbraw/zinc/46/60/88/661466088.db2.gz GLGUODMMPROXFE-TVFCKZIOSA-N 2 1 320.427 3.309 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC000931316146 661466090 /nfs/dbraw/zinc/46/60/90/661466090.db2.gz GLGUODMMPROXFE-TVFCKZIOSA-N 2 1 320.427 3.309 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC000931316146 661466093 /nfs/dbraw/zinc/46/60/93/661466093.db2.gz GLGUODMMPROXFE-TVFCKZIOSA-N 2 1 320.427 3.309 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC000931316146 661466095 /nfs/dbraw/zinc/46/60/95/661466095.db2.gz GLGUODMMPROXFE-TVFCKZIOSA-N 2 1 320.427 3.309 20 0 DGADMP C[C@@H](CC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314893 661466243 /nfs/dbraw/zinc/46/62/43/661466243.db2.gz RNILWMWUGTZRSM-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H](CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314893 661466246 /nfs/dbraw/zinc/46/62/46/661466246.db2.gz RNILWMWUGTZRSM-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H](CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314893 661466247 /nfs/dbraw/zinc/46/62/47/661466247.db2.gz RNILWMWUGTZRSM-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H](CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314893 661466249 /nfs/dbraw/zinc/46/62/49/661466249.db2.gz RNILWMWUGTZRSM-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H](CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)OCc1ccccc1 ZINC000931314893 661466250 /nfs/dbraw/zinc/46/62/50/661466250.db2.gz RNILWMWUGTZRSM-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313310 661466585 /nfs/dbraw/zinc/46/65/85/661466585.db2.gz AJLNXCUAGIBOEI-LWYYNNOASA-N 2 1 314.473 3.180 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313310 661466588 /nfs/dbraw/zinc/46/65/88/661466588.db2.gz AJLNXCUAGIBOEI-LWYYNNOASA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313310 661466591 /nfs/dbraw/zinc/46/65/91/661466591.db2.gz AJLNXCUAGIBOEI-LWYYNNOASA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000931313310 661466592 /nfs/dbraw/zinc/46/65/92/661466592.db2.gz AJLNXCUAGIBOEI-LWYYNNOASA-N 2 1 314.473 3.180 20 0 DGADMP CN1C[C@]2(C)C[N@H+](C[C@H](O)c3cccc4ccccc43)C[C@]2(C)C1 ZINC000931314923 661466606 /nfs/dbraw/zinc/46/66/06/661466606.db2.gz SFMGQABSVWKNRO-PCCBWWKXSA-N 2 1 324.468 3.147 20 0 DGADMP CN1C[C@]2(C)C[N@@H+](C[C@H](O)c3cccc4ccccc43)C[C@]2(C)C1 ZINC000931314923 661466608 /nfs/dbraw/zinc/46/66/08/661466608.db2.gz SFMGQABSVWKNRO-PCCBWWKXSA-N 2 1 324.468 3.147 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2cccc(C)c2)CC1 ZINC000931463913 661479476 /nfs/dbraw/zinc/47/94/76/661479476.db2.gz GVRXYPWOHNXJSW-LJQANCHMSA-N 2 1 316.489 3.369 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545916 661487202 /nfs/dbraw/zinc/48/72/02/661487202.db2.gz IUIMJPSSGHXHDY-VVLHAWIVSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545916 661487204 /nfs/dbraw/zinc/48/72/04/661487204.db2.gz IUIMJPSSGHXHDY-VVLHAWIVSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545916 661487206 /nfs/dbraw/zinc/48/72/06/661487206.db2.gz IUIMJPSSGHXHDY-VVLHAWIVSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000931545916 661487208 /nfs/dbraw/zinc/48/72/08/661487208.db2.gz IUIMJPSSGHXHDY-VVLHAWIVSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547849 661487271 /nfs/dbraw/zinc/48/72/71/661487271.db2.gz UIMMHIOFDKPPST-KURKYZTESA-N 2 1 306.494 3.284 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547849 661487273 /nfs/dbraw/zinc/48/72/73/661487273.db2.gz UIMMHIOFDKPPST-KURKYZTESA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547849 661487275 /nfs/dbraw/zinc/48/72/75/661487275.db2.gz UIMMHIOFDKPPST-KURKYZTESA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)CC[C@@H]21 ZINC000931547849 661487277 /nfs/dbraw/zinc/48/72/77/661487277.db2.gz UIMMHIOFDKPPST-KURKYZTESA-N 2 1 306.494 3.284 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000931764746 661506221 /nfs/dbraw/zinc/50/62/21/661506221.db2.gz SPUJWFZREIEFLY-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC000931765405 661506514 /nfs/dbraw/zinc/50/65/14/661506514.db2.gz WYWUBTWNXZMDTQ-FUHWJXTLSA-N 2 1 315.461 3.084 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933551658 661640385 /nfs/dbraw/zinc/64/03/85/661640385.db2.gz YTGUZJDXKOSZCI-LJQANCHMSA-N 2 1 316.489 3.235 20 0 DGADMP CCC[N@@H+](CC[C@@H](C)O)C1CCN(Cc2ccccc2)CC1 ZINC000934186204 661685274 /nfs/dbraw/zinc/68/52/74/661685274.db2.gz RAXALHXSKHHLAX-QGZVFWFLSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1CSCCC[NH+]1C/C=C/C[N@@H+]1CCCSC[C@H]1C ZINC000934296464 661694076 /nfs/dbraw/zinc/69/40/76/661694076.db2.gz IEKYSJJIGPFIJK-OBMMGQTPSA-N 2 1 314.564 3.197 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Br)cs1 ZINC000042402391 661840337 /nfs/dbraw/zinc/84/03/37/661840337.db2.gz QYEDDXYQMNGCBB-UHFFFAOYSA-N 2 1 305.285 3.462 20 0 DGADMP Cc1nc(C[N@H+](C)CCCCCC[NH3+])sc1Br ZINC000719273736 662272181 /nfs/dbraw/zinc/27/21/81/662272181.db2.gz MABIMURHJFMPQH-UHFFFAOYSA-N 2 1 320.300 3.165 20 0 DGADMP Cc1nc(C[N@@H+](C)CCCCCC[NH3+])sc1Br ZINC000719273736 662272183 /nfs/dbraw/zinc/27/21/83/662272183.db2.gz MABIMURHJFMPQH-UHFFFAOYSA-N 2 1 320.300 3.165 20 0 DGADMP CCC[N@@H+](C[C@@H](C)COCc1ccccc1)C1CC[NH2+]CC1 ZINC000719510985 662291097 /nfs/dbraw/zinc/29/10/97/662291097.db2.gz VKULUBLEPPZQME-QGZVFWFLSA-N 2 1 304.478 3.303 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000248143577 662335233 /nfs/dbraw/zinc/33/52/33/662335233.db2.gz PXPZSDJBHWOLPJ-AYOQOUSVSA-N 2 1 318.505 3.337 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1=Cc2ccccc2OC1 ZINC000093660063 662358363 /nfs/dbraw/zinc/35/83/63/662358363.db2.gz MQNYLCOVHXHYRI-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1=Cc2ccccc2OC1 ZINC000093660063 662358364 /nfs/dbraw/zinc/35/83/64/662358364.db2.gz MQNYLCOVHXHYRI-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1=Cc2ccccc2OC1 ZINC000093660063 662358365 /nfs/dbraw/zinc/35/83/65/662358365.db2.gz MQNYLCOVHXHYRI-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1=Cc2ccccc2OC1 ZINC000093660063 662358366 /nfs/dbraw/zinc/35/83/66/662358366.db2.gz MQNYLCOVHXHYRI-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2CCOC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380930109 685153789 /nfs/dbraw/zinc/15/37/89/685153789.db2.gz FSXNDZUTAZCZPM-ICSRJNTNSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2CCCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380911950 685154168 /nfs/dbraw/zinc/15/41/68/685154168.db2.gz NAPYONHWOLRKBH-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2CCOC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380930110 685154228 /nfs/dbraw/zinc/15/42/28/685154228.db2.gz FSXNDZUTAZCZPM-QUCCMNQESA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381960702 685161825 /nfs/dbraw/zinc/16/18/25/685161825.db2.gz GWDOLMWBCNUMBB-SFHVURJKSA-N 2 1 316.493 3.059 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382087174 685162254 /nfs/dbraw/zinc/16/22/54/685162254.db2.gz XVKJEUMFTRQHGA-MJGOQNOKSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC[NH2+]1 ZINC001576623256 1191856030 /nfs/dbraw/zinc/85/60/30/1191856030.db2.gz IZFAWSYJEQXZRP-BBRMVZONSA-N 2 1 315.392 3.243 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576731595 1191866692 /nfs/dbraw/zinc/86/66/92/1191866692.db2.gz MKMDBRATMOFUQI-VQHPVUNQSA-N 2 1 324.509 3.051 20 0 DGADMP CC[C@H](O)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC001577181819 1191887473 /nfs/dbraw/zinc/88/74/73/1191887473.db2.gz IKBUDTXNADBXJP-NXEWRWPSSA-N 2 1 316.489 3.180 20 0 DGADMP CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001577312695 1191893082 /nfs/dbraw/zinc/89/30/82/1191893082.db2.gz KYVACHDCVBZZAD-QGZVFWFLSA-N 2 1 318.461 3.013 20 0 DGADMP CCCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC001577458037 1191903201 /nfs/dbraw/zinc/90/32/01/1191903201.db2.gz PSPPDWRXYRPLFE-PMACEKPBSA-N 2 1 318.505 3.352 20 0 DGADMP CCCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC001577458037 1191903203 /nfs/dbraw/zinc/90/32/03/1191903203.db2.gz PSPPDWRXYRPLFE-PMACEKPBSA-N 2 1 318.505 3.352 20 0 DGADMP CCCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC001577458037 1191903205 /nfs/dbraw/zinc/90/32/05/1191903205.db2.gz PSPPDWRXYRPLFE-PMACEKPBSA-N 2 1 318.505 3.352 20 0 DGADMP CCCc1ccc(C[N@H+]2CCOC3(CCC([NH3+])CC3)C2)s1 ZINC001577608310 1191909097 /nfs/dbraw/zinc/90/90/97/1191909097.db2.gz AXCZTHBWZWCAKJ-UHFFFAOYSA-N 2 1 308.491 3.173 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC001577734796 1191914141 /nfs/dbraw/zinc/91/41/41/1191914141.db2.gz VSEJZUSFLWJHPH-UHFFFAOYSA-N 3 1 315.505 3.246 20 0 DGADMP CCN(Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC001577734796 1191914144 /nfs/dbraw/zinc/91/41/44/1191914144.db2.gz VSEJZUSFLWJHPH-UHFFFAOYSA-N 2 1 315.505 3.246 20 0 DGADMP CC[NH2+]CCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC001577846162 1191917000 /nfs/dbraw/zinc/91/70/00/1191917000.db2.gz ZFQVXKHHRZOEGV-UHFFFAOYSA-N 2 1 303.475 3.018 20 0 DGADMP C[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)C1CC([NH3+])C1 ZINC001578477193 1191945776 /nfs/dbraw/zinc/94/57/76/1191945776.db2.gz QTHHFBFANIIYSS-UHFFFAOYSA-N 2 1 312.413 3.279 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CNCC(C)(C)C[NH3+])CCCCC1 ZINC001578494370 1191946509 /nfs/dbraw/zinc/94/65/09/1191946509.db2.gz SISZCTYVKJIOBJ-UHFFFAOYSA-N 2 1 317.521 3.396 20 0 DGADMP C[N@H+](Cc1ccc(Br)cc1F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578485386 1191946769 /nfs/dbraw/zinc/94/67/69/1191946769.db2.gz DORKUWRYZUTWHC-GXFFZTMASA-N 2 1 315.230 3.147 20 0 DGADMP C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578502350 1191946782 /nfs/dbraw/zinc/94/67/82/1191946782.db2.gz PXRLJWKSGSNSCE-WKILWMFISA-N 2 1 312.461 3.274 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)ccn1 ZINC001579149237 1191967124 /nfs/dbraw/zinc/96/71/24/1191967124.db2.gz RIABBXWHDMCSJY-CRAIPNDOSA-N 2 1 317.477 3.210 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C(C)C ZINC001579306284 1191973560 /nfs/dbraw/zinc/97/35/60/1191973560.db2.gz LIVGYMHPHMRCIC-ZIAGYGMSSA-N 2 1 318.383 3.132 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001579499390 1191977967 /nfs/dbraw/zinc/97/79/67/1191977967.db2.gz LTMFXEDKCVZZDK-VUBSUSDNSA-N 2 1 313.489 3.085 20 0 DGADMP Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC001579576013 1191980513 /nfs/dbraw/zinc/98/05/13/1191980513.db2.gz BWDSSIMDIHSWGU-MRXNPFEDSA-N 2 1 319.493 3.294 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC001579708574 1191988405 /nfs/dbraw/zinc/98/84/05/1191988405.db2.gz ZYSFMCBQRNDESQ-NLWGTHIKSA-N 2 1 315.505 3.284 20 0 DGADMP Cc1ccc2c(C[NH2+][C@@]3(C[NH3+])CCCC[C@@H]3C)cc(=O)oc2c1 ZINC001579736896 1191990016 /nfs/dbraw/zinc/99/00/16/1191990016.db2.gz BQKNPNPPXOTZNC-IFXJQAMLSA-N 2 1 314.429 3.099 20 0 DGADMP FC1(F)CC[C@@H](C[N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C1 ZINC001580023981 1192002952 /nfs/dbraw/zinc/00/29/52/1192002952.db2.gz MABAKOXNYBMLRY-CQSZACIVSA-N 2 1 309.404 3.071 20 0 DGADMP FC(F)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC001580023893 1192003189 /nfs/dbraw/zinc/00/31/89/1192003189.db2.gz JGZLXGOSSZHQFA-HNNXBMFYSA-N 2 1 309.404 3.231 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)C12CCC2 ZINC001580164813 1192011326 /nfs/dbraw/zinc/01/13/26/1192011326.db2.gz SAPNLMWGEVDCNE-OALUTQOASA-N 2 1 323.440 3.020 20 0 DGADMP [NH3+]CC1(C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC001580244426 1192015699 /nfs/dbraw/zinc/01/56/99/1192015699.db2.gz WWUNBPUUDLAAAV-LLVKDONJSA-N 2 1 301.217 3.146 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001580287129 1192019437 /nfs/dbraw/zinc/01/94/37/1192019437.db2.gz QSJQNXHRGYATGV-OAHLLOKOSA-N 2 1 303.381 3.184 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001580287129 1192019439 /nfs/dbraw/zinc/01/94/39/1192019439.db2.gz QSJQNXHRGYATGV-OAHLLOKOSA-N 2 1 303.381 3.184 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC001580342910 1192022654 /nfs/dbraw/zinc/02/26/54/1192022654.db2.gz OAEYHAFOLPBFLI-GOSISDBHSA-N 2 1 324.424 3.254 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]2c2ccc(Br)cc2)C1 ZINC001580387385 1192024448 /nfs/dbraw/zinc/02/44/48/1192024448.db2.gz CIHKDJPKLLENBR-GLQYFDAESA-N 2 1 309.251 3.323 20 0 DGADMP O[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580878295 1192043310 /nfs/dbraw/zinc/04/33/10/1192043310.db2.gz NRERRUUYRZPTPP-FPVZDTGUSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001580878437 1192043594 /nfs/dbraw/zinc/04/35/94/1192043594.db2.gz OXCSPVOSNGJLDD-CTNGQTDRSA-N 2 1 324.468 3.222 20 0 DGADMP Oc1ccc(C[C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001580888693 1192043755 /nfs/dbraw/zinc/04/37/55/1192043755.db2.gz WAEWMEDVHNUSQE-QZTJIDSGSA-N 2 1 302.462 3.179 20 0 DGADMP OC[C@@H](C1CCC1)[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC001580882637 1192043810 /nfs/dbraw/zinc/04/38/10/1192043810.db2.gz WAQBAFXUGOLDSJ-QUCCMNQESA-N 2 1 316.489 3.039 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC001580892362 1192044567 /nfs/dbraw/zinc/04/45/67/1192044567.db2.gz SFQJJLLCIOSVJM-YSTOQKLRSA-N 2 1 314.473 3.275 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001620831572 1192308964 /nfs/dbraw/zinc/30/89/64/1192308964.db2.gz YYANAUBOQWZBAR-RMKNXTFCSA-N 2 1 302.462 3.179 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(C)n1 ZINC001620897676 1192562387 /nfs/dbraw/zinc/56/23/87/1192562387.db2.gz RLPRHZRZXVCHKP-WMZOPIPTSA-N 2 1 301.478 3.441 20 0 DGADMP Brc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435487 1176490627 /nfs/dbraw/zinc/49/06/27/1176490627.db2.gz JTKGIQGGPIYODZ-AWEZNQCLSA-N 2 1 323.278 3.413 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000323296806 1176638147 /nfs/dbraw/zinc/63/81/47/1176638147.db2.gz NDOATGHASWYKDJ-SJLPKXTDSA-N 2 1 316.489 3.480 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000378899214 1176750637 /nfs/dbraw/zinc/75/06/37/1176750637.db2.gz BMKGYTDEEBDQIA-GFCCVEGCSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000378899214 1176750644 /nfs/dbraw/zinc/75/06/44/1176750644.db2.gz BMKGYTDEEBDQIA-GFCCVEGCSA-N 2 1 314.351 3.159 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000378916605 1176753334 /nfs/dbraw/zinc/75/33/34/1176753334.db2.gz MNIQIFYEFVTCQV-LJQANCHMSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000395179443 1176758880 /nfs/dbraw/zinc/75/88/80/1176758880.db2.gz HATNINGBFCEJKP-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000395179443 1176758883 /nfs/dbraw/zinc/75/88/83/1176758883.db2.gz HATNINGBFCEJKP-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cscc3Br)C[C@H]21 ZINC000383391289 1177037714 /nfs/dbraw/zinc/03/77/14/1177037714.db2.gz KJUPANFDENLWFJ-UFGOTCBOSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cscc3Br)C[C@H]21 ZINC000383391289 1177037723 /nfs/dbraw/zinc/03/77/23/1177037723.db2.gz KJUPANFDENLWFJ-UFGOTCBOSA-N 2 1 315.280 3.070 20 0 DGADMP CC[NH+](CC)C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000384244685 1177093236 /nfs/dbraw/zinc/09/32/36/1177093236.db2.gz KAQGQDBOTYRSKR-UHFFFAOYSA-N 2 1 312.255 3.155 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CNCC[NH2+]C(C)(C)C)CCC1 ZINC000386889710 1177427284 /nfs/dbraw/zinc/42/72/84/1177427284.db2.gz NIGAFOHVCKEJSM-UHFFFAOYSA-N 2 1 303.494 3.019 20 0 DGADMP C[C@@H]1CC([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000339013345 1177787985 /nfs/dbraw/zinc/78/79/85/1177787985.db2.gz WPEPAODQMZWXTA-LMMKCTJWSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000339013345 1177787994 /nfs/dbraw/zinc/78/79/94/1177787994.db2.gz WPEPAODQMZWXTA-LMMKCTJWSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000339013345 1177788001 /nfs/dbraw/zinc/78/80/01/1177788001.db2.gz WPEPAODQMZWXTA-LMMKCTJWSA-N 2 1 316.489 3.396 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC001182444427 1177819879 /nfs/dbraw/zinc/81/98/79/1177819879.db2.gz QXOOOAWMBCMUAW-QGZVFWFLSA-N 2 1 308.416 3.314 20 0 DGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC001331510709 1178231464 /nfs/dbraw/zinc/23/14/64/1178231464.db2.gz KCUOHHHDPMQCMM-OKZBNKHCSA-N 2 1 304.478 3.351 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC1(C)C ZINC001331693865 1178271505 /nfs/dbraw/zinc/27/15/05/1178271505.db2.gz YKWZYWKPBOQMQW-WBVHZDCISA-N 2 1 310.869 3.010 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC1(C)C ZINC001331693864 1178272008 /nfs/dbraw/zinc/27/20/08/1178272008.db2.gz YKWZYWKPBOQMQW-RDJZCZTQSA-N 2 1 310.869 3.010 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964649 1178321898 /nfs/dbraw/zinc/32/18/98/1178321898.db2.gz JRGNKVRNCCKVMF-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964649 1178321905 /nfs/dbraw/zinc/32/19/05/1178321905.db2.gz JRGNKVRNCCKVMF-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])sc2C1 ZINC001332556646 1178462058 /nfs/dbraw/zinc/46/20/58/1178462058.db2.gz RKMLDECRMAFHLW-IPYPFGDCSA-N 2 1 307.507 3.217 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])sc2C1 ZINC001332556646 1178462061 /nfs/dbraw/zinc/46/20/61/1178462061.db2.gz RKMLDECRMAFHLW-IPYPFGDCSA-N 2 1 307.507 3.217 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC001333331703 1178589992 /nfs/dbraw/zinc/58/99/92/1178589992.db2.gz FTKGQIJUWVLPBS-SFHVURJKSA-N 2 1 317.477 3.260 20 0 DGADMP c1oc(-c2ccccc2)nc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001333596221 1178634967 /nfs/dbraw/zinc/63/49/67/1178634967.db2.gz IXYRARQVISCDFS-KRWDZBQOSA-N 2 1 311.429 3.148 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccncc4s3)C[C@H]2C1 ZINC001334356256 1178753837 /nfs/dbraw/zinc/75/38/37/1178753837.db2.gz KNIGBZWUFJRKPV-BZUAXINKSA-N 2 1 315.486 3.458 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC001335150589 1178861804 /nfs/dbraw/zinc/86/18/04/1178861804.db2.gz RNUKYRLUYUQPPK-CEXWTWQISA-N 2 1 314.473 3.174 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC001335209819 1178870849 /nfs/dbraw/zinc/87/08/49/1178870849.db2.gz DUCDGMUNOMTSJK-ZIFCJYIRSA-N 2 1 301.478 3.114 20 0 DGADMP COCCCC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC001335421392 1178907423 /nfs/dbraw/zinc/90/74/23/1178907423.db2.gz LKNUEEWEALEZNU-GOSISDBHSA-N 2 1 308.510 3.391 20 0 DGADMP COCCCC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC001335421394 1178907904 /nfs/dbraw/zinc/90/79/04/1178907904.db2.gz LKNUEEWEALEZNU-SFHVURJKSA-N 2 1 308.510 3.391 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335582649 1178933995 /nfs/dbraw/zinc/93/39/95/1178933995.db2.gz NOKWFZCRELHLHX-HDMKZQKVSA-N 2 1 319.468 3.054 20 0 DGADMP Cc1ncc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)o1 ZINC001336077455 1178989976 /nfs/dbraw/zinc/98/99/76/1178989976.db2.gz KRNLFYQWWMRFIQ-INIZCTEOSA-N 2 1 309.360 3.221 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001342758779 1179183744 /nfs/dbraw/zinc/18/37/44/1179183744.db2.gz NYIBIVRFZGQHEH-BPIHKTFHSA-N 2 1 313.489 3.043 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001344639180 1179461619 /nfs/dbraw/zinc/46/16/19/1179461619.db2.gz FNPQQKWQSAXVDE-UHFFFAOYSA-N 2 1 306.841 3.091 20 0 DGADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)n(C2CC2)c1 ZINC001349761943 1179945869 /nfs/dbraw/zinc/94/58/69/1179945869.db2.gz OPTISVLHTVRNLJ-LJQANCHMSA-N 2 1 323.484 3.477 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)CC1 ZINC001351400547 1180209372 /nfs/dbraw/zinc/20/93/72/1180209372.db2.gz VJXJKRSTUAKYDY-VIQWUECVSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cs1 ZINC001352111389 1180297915 /nfs/dbraw/zinc/29/79/15/1180297915.db2.gz FXJCTTPKFQGMCO-LZWOXQAQSA-N 2 1 307.507 3.429 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1C ZINC001352112749 1180297931 /nfs/dbraw/zinc/29/79/31/1180297931.db2.gz OWABUBMAVJYHNS-BZSNNMDCSA-N 2 1 302.462 3.166 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352113923 1180298741 /nfs/dbraw/zinc/29/87/41/1180298741.db2.gz VPFFEHAVGASBKE-MAPSCULWSA-N 2 1 314.473 3.371 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001352849515 1180409596 /nfs/dbraw/zinc/40/95/96/1180409596.db2.gz MMHNELIJGOCHSX-CJXDPKRBSA-N 2 1 304.415 3.172 20 0 DGADMP CC(C)C1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001200212635 1180455322 /nfs/dbraw/zinc/45/53/22/1180455322.db2.gz ALXRXHGPXPDMMX-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H]1CCC[C@@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001200244308 1180480925 /nfs/dbraw/zinc/48/09/25/1180480925.db2.gz RHMVSCCCTDZPJV-PKOBYXMFSA-N 2 1 309.542 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC001355263664 1181023542 /nfs/dbraw/zinc/02/35/42/1181023542.db2.gz MUGHLCOSBKCIFH-GHMZBOCLSA-N 2 1 321.412 3.210 20 0 DGADMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001355372948 1181045625 /nfs/dbraw/zinc/04/56/25/1181045625.db2.gz HITCJQYMSLNYNI-RYQLBKOJSA-N 2 1 302.462 3.247 20 0 DGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC001356623021 1181224432 /nfs/dbraw/zinc/22/44/32/1181224432.db2.gz WOXIFAHFHCHQQD-MAUKXSAKSA-N 2 1 322.880 3.085 20 0 DGADMP CCNc1nc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cs1 ZINC001559484518 1181603265 /nfs/dbraw/zinc/60/32/65/1181603265.db2.gz XNKQSNPZLHXTGN-UHFFFAOYSA-N 2 1 310.511 3.129 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001364331945 1181679332 /nfs/dbraw/zinc/67/93/32/1181679332.db2.gz PBMWCVHUFQCXJS-HNNXBMFYSA-N 2 1 313.445 3.104 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001364331945 1181679338 /nfs/dbraw/zinc/67/93/38/1181679338.db2.gz PBMWCVHUFQCXJS-HNNXBMFYSA-N 2 1 313.445 3.104 20 0 DGADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001459382127 1182583077 /nfs/dbraw/zinc/58/30/77/1182583077.db2.gz AQIKFFVWBLKONT-RTBURBONSA-N 2 1 310.526 3.491 20 0 DGADMP CC(C)[C@](O)(C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC001459586448 1182596935 /nfs/dbraw/zinc/59/69/35/1182596935.db2.gz TZUNDPGWWGGTRL-WOJBJXKFSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@](O)(C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001459586448 1182596945 /nfs/dbraw/zinc/59/69/45/1182596945.db2.gz TZUNDPGWWGGTRL-WOJBJXKFSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@](O)(C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001459586448 1182596949 /nfs/dbraw/zinc/59/69/49/1182596949.db2.gz TZUNDPGWWGGTRL-WOJBJXKFSA-N 2 1 318.505 3.336 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC001459718341 1182610023 /nfs/dbraw/zinc/61/00/23/1182610023.db2.gz JXYHKRBMRDWUGR-MOPGFXCFSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC001459718341 1182610027 /nfs/dbraw/zinc/61/00/27/1182610027.db2.gz JXYHKRBMRDWUGR-MOPGFXCFSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](CC(C)C)C[C@H](O)C[N@H+](C)CC ZINC001459718341 1182610029 /nfs/dbraw/zinc/61/00/29/1182610029.db2.gz JXYHKRBMRDWUGR-MOPGFXCFSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)CC ZINC001459718341 1182610035 /nfs/dbraw/zinc/61/00/35/1182610035.db2.gz JXYHKRBMRDWUGR-MOPGFXCFSA-N 2 1 306.494 3.408 20 0 DGADMP C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C[N@H+]1C ZINC001459779714 1182615153 /nfs/dbraw/zinc/61/51/53/1182615153.db2.gz QKIQFZLSQGDAJZ-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CN1C ZINC001459779714 1182615156 /nfs/dbraw/zinc/61/51/56/1182615156.db2.gz QKIQFZLSQGDAJZ-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CN1C ZINC001459779714 1182615160 /nfs/dbraw/zinc/61/51/60/1182615160.db2.gz QKIQFZLSQGDAJZ-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP CC[N@H+](CCC1CC[NH+](CC(=O)OCC(C)C)CC1)CC1CC1 ZINC001459822159 1182619052 /nfs/dbraw/zinc/61/90/52/1182619052.db2.gz ZQMDQDNHUCEZKV-UHFFFAOYSA-N 2 1 324.509 3.020 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)OCC(C)C)CC1)CC1CC1 ZINC001459822159 1182619059 /nfs/dbraw/zinc/61/90/59/1182619059.db2.gz ZQMDQDNHUCEZKV-UHFFFAOYSA-N 2 1 324.509 3.020 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC001459823929 1182619223 /nfs/dbraw/zinc/61/92/23/1182619223.db2.gz FMPQVSALPINLAF-UXHICEINSA-N 2 1 318.505 3.238 20 0 DGADMP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001460237937 1182666281 /nfs/dbraw/zinc/66/62/81/1182666281.db2.gz BXSJRSLWEIGCAK-LJQANCHMSA-N 2 1 315.505 3.069 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCOCC2CCC2)CC1 ZINC001460627170 1182702163 /nfs/dbraw/zinc/70/21/63/1182702163.db2.gz PICOTWVWJLDEOF-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1cccc([C@H](O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001460670263 1182706578 /nfs/dbraw/zinc/70/65/78/1182706578.db2.gz GGNVSVVELXCSFH-HXUWFJFHSA-N 2 1 318.505 3.328 20 0 DGADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460688084 1182708265 /nfs/dbraw/zinc/70/82/65/1182708265.db2.gz FBNXZFKIJQYMKF-ICSRJNTNSA-N 2 1 318.505 3.349 20 0 DGADMP CN(C)c1ccccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460690636 1182710071 /nfs/dbraw/zinc/71/00/71/1182710071.db2.gz KHIZZNQAHPSOCC-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCc1ccsc1 ZINC001460803654 1182725108 /nfs/dbraw/zinc/72/51/08/1182725108.db2.gz ZECNGCDFTLZEPO-OAHLLOKOSA-N 2 1 301.459 3.286 20 0 DGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)COCc1ccccc1 ZINC001461129238 1182771911 /nfs/dbraw/zinc/77/19/11/1182771911.db2.gz VNULKCKVBHIMQJ-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP C([NH2+]C1CCC2(CCC2)CC1)C1([NH+]2CCCC2)CCOCC1 ZINC001461164781 1182776931 /nfs/dbraw/zinc/77/69/31/1182776931.db2.gz ADTDLGMSKURLCV-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001461181803 1182779763 /nfs/dbraw/zinc/77/97/63/1182779763.db2.gz MPXICSAAVKOXBA-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001461181803 1182779766 /nfs/dbraw/zinc/77/97/66/1182779766.db2.gz MPXICSAAVKOXBA-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001461258066 1182786760 /nfs/dbraw/zinc/78/67/60/1182786760.db2.gz RVSDFWLNKYBRMC-QZTJIDSGSA-N 2 1 310.445 3.106 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC001461258665 1182788871 /nfs/dbraw/zinc/78/88/71/1182788871.db2.gz APUFFCLRQGIKCI-HCXYKTFWSA-N 2 1 306.494 3.046 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC001461258665 1182788875 /nfs/dbraw/zinc/78/88/75/1182788875.db2.gz APUFFCLRQGIKCI-HCXYKTFWSA-N 2 1 306.494 3.046 20 0 DGADMP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC001461372665 1182801878 /nfs/dbraw/zinc/80/18/78/1182801878.db2.gz IONGAPIKPOFFHQ-KRWDZBQOSA-N 2 1 319.493 3.165 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC001461829352 1182864026 /nfs/dbraw/zinc/86/40/26/1182864026.db2.gz JWVWARZSJNJOJU-GLQYFDAESA-N 2 1 319.499 3.301 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462199271 1182921830 /nfs/dbraw/zinc/92/18/30/1182921830.db2.gz HAYJALZMPJNLRR-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462199271 1182921831 /nfs/dbraw/zinc/92/18/31/1182921831.db2.gz HAYJALZMPJNLRR-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001462199271 1182921832 /nfs/dbraw/zinc/92/18/32/1182921832.db2.gz HAYJALZMPJNLRR-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001462199271 1182921834 /nfs/dbraw/zinc/92/18/34/1182921834.db2.gz HAYJALZMPJNLRR-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001462203232 1182923206 /nfs/dbraw/zinc/92/32/06/1182923206.db2.gz VNBRBPMDADAPCW-ZDUSSCGKSA-N 2 1 311.832 3.038 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001462203232 1182923212 /nfs/dbraw/zinc/92/32/12/1182923212.db2.gz VNBRBPMDADAPCW-ZDUSSCGKSA-N 2 1 311.832 3.038 20 0 DGADMP COc1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C(C)(C)C ZINC001462619254 1182975970 /nfs/dbraw/zinc/97/59/70/1182975970.db2.gz QUFUJKYBBKZCEB-UZLBHIALSA-N 2 1 316.489 3.376 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)CC1 ZINC001462616349 1182976626 /nfs/dbraw/zinc/97/66/26/1182976626.db2.gz GVBLUQOMRMBVAC-HXUWFJFHSA-N 2 1 312.457 3.269 20 0 DGADMP C[C@]1(Br)C[C@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001462671119 1182984058 /nfs/dbraw/zinc/98/40/58/1182984058.db2.gz WHZIQAOSUCTVPV-FZMZJTMJSA-N 2 1 303.288 3.012 20 0 DGADMP C[C@@]1(Br)C[C@@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001462671116 1182984716 /nfs/dbraw/zinc/98/47/16/1182984716.db2.gz WHZIQAOSUCTVPV-BXUZGUMPSA-N 2 1 303.288 3.012 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(CC)(CC)c1ccc(Cl)cc1 ZINC001473225274 1183732290 /nfs/dbraw/zinc/73/22/90/1183732290.db2.gz MOEJKNIDFJBSBE-MRXNPFEDSA-N 2 1 312.885 3.258 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC23CCOCC3)[C@H](C)C1 ZINC001473228514 1183733027 /nfs/dbraw/zinc/73/30/27/1183733027.db2.gz SZDNTXYHWWSGBY-KURKYZTESA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC23CCOCC3)[C@H](C)C1 ZINC001473228514 1183733029 /nfs/dbraw/zinc/73/30/29/1183733029.db2.gz SZDNTXYHWWSGBY-KURKYZTESA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC23CCOCC3)[C@H](C)C1 ZINC001473228514 1183733032 /nfs/dbraw/zinc/73/30/32/1183733032.db2.gz SZDNTXYHWWSGBY-KURKYZTESA-N 2 1 308.510 3.245 20 0 DGADMP COCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)c(C)c1 ZINC001473802257 1183804783 /nfs/dbraw/zinc/80/47/83/1183804783.db2.gz NJPFKBMZDDHMLX-UHFFFAOYSA-N 2 1 315.461 3.347 20 0 DGADMP COCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)c(C)c1 ZINC001473802257 1183804792 /nfs/dbraw/zinc/80/47/92/1183804792.db2.gz NJPFKBMZDDHMLX-UHFFFAOYSA-N 2 1 315.461 3.347 20 0 DGADMP CSc1cc(Br)ccc1C[NH2+]CCC[NH+](C)C ZINC001473911013 1183825651 /nfs/dbraw/zinc/82/56/51/1183825651.db2.gz OLXLKJVVMDXAMY-UHFFFAOYSA-N 2 1 317.296 3.212 20 0 DGADMP Cc1cccn2c(C[NH2+]CCC[N@@H+](C)C3CCCCC3)cnc12 ZINC001473910658 1183825906 /nfs/dbraw/zinc/82/59/06/1183825906.db2.gz WRMCFDMEIKWNOC-UHFFFAOYSA-N 2 1 314.477 3.387 20 0 DGADMP Cc1cccn2c(C[NH2+]CCC[N@H+](C)C3CCCCC3)cnc12 ZINC001473910658 1183825915 /nfs/dbraw/zinc/82/59/15/1183825915.db2.gz WRMCFDMEIKWNOC-UHFFFAOYSA-N 2 1 314.477 3.387 20 0 DGADMP COCC[N@H+](C)CCC[NH2+]C/C=C\c1c(C)cc(C)cc1C ZINC001473930033 1183831853 /nfs/dbraw/zinc/83/18/53/1183831853.db2.gz OWPNFMIPQVTTFT-VURMDHGXSA-N 2 1 304.478 3.183 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]C/C=C\c1c(C)cc(C)cc1C ZINC001473930033 1183831856 /nfs/dbraw/zinc/83/18/56/1183831856.db2.gz OWPNFMIPQVTTFT-VURMDHGXSA-N 2 1 304.478 3.183 20 0 DGADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC001473940517 1183832758 /nfs/dbraw/zinc/83/27/58/1183832758.db2.gz GYWSWLIVPKMJGR-UPHRSURJSA-N 2 1 306.400 3.442 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC001473937437 1183833843 /nfs/dbraw/zinc/83/38/43/1183833843.db2.gz SZGKVAZNUCTOMP-ZHRRBRCNSA-N 2 1 322.518 3.026 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)ncn3C)c1 ZINC001473988117 1183843968 /nfs/dbraw/zinc/84/39/68/1183843968.db2.gz CGFXDNHIDLGONI-UHFFFAOYSA-N 2 1 322.456 3.315 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001473993677 1183845976 /nfs/dbraw/zinc/84/59/76/1183845976.db2.gz KIBBHFQZMRSCLY-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473993677 1183845977 /nfs/dbraw/zinc/84/59/77/1183845977.db2.gz KIBBHFQZMRSCLY-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473993677 1183845978 /nfs/dbraw/zinc/84/59/78/1183845978.db2.gz KIBBHFQZMRSCLY-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001473995996 1183846764 /nfs/dbraw/zinc/84/67/64/1183846764.db2.gz NDTNKEZRTIUKFF-IBGZPJMESA-N 2 1 302.462 3.036 20 0 DGADMP CCC[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001474380935 1183913060 /nfs/dbraw/zinc/91/30/60/1183913060.db2.gz HHJXNUSMAMKUNC-RTBURBONSA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001474380935 1183913062 /nfs/dbraw/zinc/91/30/62/1183913062.db2.gz HHJXNUSMAMKUNC-RTBURBONSA-N 2 1 304.478 3.255 20 0 DGADMP CCC[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001474380935 1183913065 /nfs/dbraw/zinc/91/30/65/1183913065.db2.gz HHJXNUSMAMKUNC-RTBURBONSA-N 2 1 304.478 3.255 20 0 DGADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001474488126 1183929419 /nfs/dbraw/zinc/92/94/19/1183929419.db2.gz YXASTLRXYPHFKX-ICSRJNTNSA-N 2 1 316.489 3.303 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)CC1 ZINC001474503799 1183931970 /nfs/dbraw/zinc/93/19/70/1183931970.db2.gz RJKJHVNYWFIFSU-UTKZUKDTSA-N 2 1 312.501 3.455 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001474557310 1183939777 /nfs/dbraw/zinc/93/97/77/1183939777.db2.gz QYYHNAAEJMUMMR-ROUUACIJSA-N 2 1 303.494 3.223 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001474557310 1183939781 /nfs/dbraw/zinc/93/97/81/1183939781.db2.gz QYYHNAAEJMUMMR-ROUUACIJSA-N 2 1 303.494 3.223 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001474561715 1183941103 /nfs/dbraw/zinc/94/11/03/1183941103.db2.gz UMQCQKNLRRFABG-HBFSDRIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474561715 1183941107 /nfs/dbraw/zinc/94/11/07/1183941107.db2.gz UMQCQKNLRRFABG-HBFSDRIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474561715 1183941114 /nfs/dbraw/zinc/94/11/14/1183941114.db2.gz UMQCQKNLRRFABG-HBFSDRIKSA-N 2 1 317.521 3.358 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC001474757769 1183974022 /nfs/dbraw/zinc/97/40/22/1183974022.db2.gz ZMDMDYYMSYBIMN-RVSPLBMKSA-N 2 1 310.844 3.342 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001495482583 1185062289 /nfs/dbraw/zinc/06/22/89/1185062289.db2.gz WKNSNSBUCRDECZ-BZSNNMDCSA-N 2 1 323.525 3.068 20 0 DGADMP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502126909 1185957333 /nfs/dbraw/zinc/95/73/33/1185957333.db2.gz DOOLCELVXICFOI-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC001656077017 1195994666 /nfs/dbraw/zinc/99/46/66/1195994666.db2.gz QGHKUCVBIHRBKV-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC001656077017 1195994668 /nfs/dbraw/zinc/99/46/68/1195994668.db2.gz QGHKUCVBIHRBKV-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2CC([NH3+])C2)cc1 ZINC001521433911 1187023495 /nfs/dbraw/zinc/02/34/95/1187023495.db2.gz QZTSJMSQACIPKO-ODIFPOPNSA-N 2 1 315.461 3.127 20 0 DGADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C[C@H]1CCC[NH+](C)C1 ZINC001615634625 1193524975 /nfs/dbraw/zinc/52/49/75/1193524975.db2.gz GPFRCVRNLMHMPK-WDSOQIARSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C[C@H]1CCC[N@H+](C)C1 ZINC001615634625 1193524977 /nfs/dbraw/zinc/52/49/77/1193524977.db2.gz GPFRCVRNLMHMPK-WDSOQIARSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC001615634625 1193524979 /nfs/dbraw/zinc/52/49/79/1193524979.db2.gz GPFRCVRNLMHMPK-WDSOQIARSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001615674621 1193525603 /nfs/dbraw/zinc/52/56/03/1193525603.db2.gz SKIVUKFPHHFMOB-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001615674544 1193526032 /nfs/dbraw/zinc/52/60/32/1193526032.db2.gz QHXAOIQUOKZXNU-INIZCTEOSA-N 2 1 312.498 3.020 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC001656663627 1196059479 /nfs/dbraw/zinc/05/94/79/1196059479.db2.gz YXDAOZYXLVHZJQ-UHFFFAOYSA-N 2 1 306.498 3.219 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC001615988254 1193531207 /nfs/dbraw/zinc/53/12/07/1193531207.db2.gz AHCKNKLJVRGVPG-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988254 1193531209 /nfs/dbraw/zinc/53/12/09/1193531209.db2.gz AHCKNKLJVRGVPG-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988254 1193531210 /nfs/dbraw/zinc/53/12/10/1193531210.db2.gz AHCKNKLJVRGVPG-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001615988254 1193531212 /nfs/dbraw/zinc/53/12/12/1193531212.db2.gz AHCKNKLJVRGVPG-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001615988254 1193531213 /nfs/dbraw/zinc/53/12/13/1193531213.db2.gz AHCKNKLJVRGVPG-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001616462842 1193539915 /nfs/dbraw/zinc/53/99/15/1193539915.db2.gz NLPYXOINLGQXOF-UHFFFAOYSA-N 2 1 319.493 3.445 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(c1)COC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001617104896 1193557658 /nfs/dbraw/zinc/55/76/58/1193557658.db2.gz ZUVFNRKWAMLSPL-RDJZCZTQSA-N 2 1 314.473 3.459 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC001549087737 1188493667 /nfs/dbraw/zinc/49/36/67/1188493667.db2.gz YFWVDURQFKWLRN-WOJBJXKFSA-N 2 1 307.441 3.309 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC001549087695 1188493854 /nfs/dbraw/zinc/49/38/54/1188493854.db2.gz XWMQOLLEBQNUPX-BLLLJJGKSA-N 2 1 319.499 3.432 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC001549087695 1188493856 /nfs/dbraw/zinc/49/38/56/1188493856.db2.gz XWMQOLLEBQNUPX-BLLLJJGKSA-N 2 1 319.499 3.432 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1CCC[C@@H](c2cncn2C)C1 ZINC001550059523 1188576218 /nfs/dbraw/zinc/57/62/18/1188576218.db2.gz UDXNWJSOAGWWBF-CQSZACIVSA-N 2 1 317.408 3.338 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2cncn2C)C1 ZINC001550060838 1188576427 /nfs/dbraw/zinc/57/64/27/1188576427.db2.gz YAYLNLPNDSLNDT-CQSZACIVSA-N 2 1 316.424 3.005 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001550175691 1188591109 /nfs/dbraw/zinc/59/11/09/1188591109.db2.gz UOIOTDNKOOUIDL-VQIMIIECSA-N 2 1 311.429 3.211 20 0 DGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550351199 1188608831 /nfs/dbraw/zinc/60/88/31/1188608831.db2.gz JIRWOEYTQGTMOU-CRCOGDFISA-N 2 1 322.518 3.187 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550352878 1188609305 /nfs/dbraw/zinc/60/93/05/1188609305.db2.gz HIMKPFRQRTWPSU-GVDBMIGSSA-N 2 1 302.462 3.120 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3ccccc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550355215 1188609988 /nfs/dbraw/zinc/60/99/88/1188609988.db2.gz QJHWEJWOQAQRKX-ZDNSCYFHSA-N 2 1 316.489 3.207 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]CC1CCCCCC1)C2 ZINC001550421900 1188614187 /nfs/dbraw/zinc/61/41/87/1188614187.db2.gz ICMQVHPMWUQLTI-RDGPPVDQSA-N 2 1 308.510 3.026 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3sccc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423845 1188615170 /nfs/dbraw/zinc/61/51/70/1188615170.db2.gz SSPFCFSKCATATA-FZCLSBEQSA-N 2 1 322.518 3.016 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)C1 ZINC001550520998 1188618681 /nfs/dbraw/zinc/61/86/81/1188618681.db2.gz RINWNMLTCNMVMY-PMPSAXMXSA-N 2 1 303.450 3.138 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543235 1188621492 /nfs/dbraw/zinc/62/14/92/1188621492.db2.gz JTWRMFJSJYUOPU-WBVHZDCISA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543235 1188621496 /nfs/dbraw/zinc/62/14/96/1188621496.db2.gz JTWRMFJSJYUOPU-WBVHZDCISA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550543235 1188621499 /nfs/dbraw/zinc/62/14/99/1188621499.db2.gz JTWRMFJSJYUOPU-WBVHZDCISA-N 2 1 301.478 3.151 20 0 DGADMP c1cc2c(cccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC001552212640 1188825426 /nfs/dbraw/zinc/82/54/26/1188825426.db2.gz DGMKKYSHFFBQET-QGZVFWFLSA-N 2 1 314.429 3.166 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[C@@H]1O ZINC001552286887 1188830644 /nfs/dbraw/zinc/83/06/44/1188830644.db2.gz WTBOEOYLVWCRSM-OALUTQOASA-N 2 1 302.462 3.018 20 0 DGADMP CO[C@@H]1C[C@H](CF)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317575 1188835673 /nfs/dbraw/zinc/83/56/73/1188835673.db2.gz QBSYGRFEPAXPHH-RTBURBONSA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@@H]1C[C@H](CF)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317575 1188835677 /nfs/dbraw/zinc/83/56/77/1188835677.db2.gz QBSYGRFEPAXPHH-RTBURBONSA-N 2 1 320.452 3.231 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001553021914 1188890179 /nfs/dbraw/zinc/89/01/79/1188890179.db2.gz AFHUEJZQMNAOSH-IPMKNSEASA-N 2 1 315.505 3.005 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001553021914 1188890182 /nfs/dbraw/zinc/89/01/82/1188890182.db2.gz AFHUEJZQMNAOSH-IPMKNSEASA-N 3 1 315.505 3.005 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001553021914 1188890186 /nfs/dbraw/zinc/89/01/86/1188890186.db2.gz AFHUEJZQMNAOSH-IPMKNSEASA-N 3 1 315.505 3.005 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1[C@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC001553024053 1188890399 /nfs/dbraw/zinc/89/03/99/1188890399.db2.gz BIMBUJUAYAGUPX-CIRFHOKZSA-N 2 1 316.493 3.208 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@H]2CCC[NH2+][C@H]21 ZINC001553021937 1188890529 /nfs/dbraw/zinc/89/05/29/1188890529.db2.gz RZWXAUIISMQRQS-NWANDNLSSA-N 2 1 310.388 3.154 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)[C@@H]2CCC[NH2+][C@H]21 ZINC001553021924 1188890582 /nfs/dbraw/zinc/89/05/82/1188890582.db2.gz AKUWUSILCWJEHZ-RBSFLKMASA-N 2 1 310.388 3.154 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001559587806 1189220133 /nfs/dbraw/zinc/22/01/33/1189220133.db2.gz KHYYUNSJXFXEOD-GOSISDBHSA-N 2 1 324.896 3.315 20 0 DGADMP CCCCCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001559828731 1189247607 /nfs/dbraw/zinc/24/76/07/1189247607.db2.gz ZLOVRRPDMZQDON-UHFFFAOYSA-N 2 1 317.521 3.316 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H]2CC(C)(C)CO2)CC1 ZINC001560069707 1189275000 /nfs/dbraw/zinc/27/50/00/1189275000.db2.gz ZCWSBRHDNHCMRQ-QZTJIDSGSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1nc(C)c(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)s1 ZINC001560238514 1189296963 /nfs/dbraw/zinc/29/69/63/1189296963.db2.gz QDTNNUGSHCOYRD-CALCHBBNSA-N 2 1 305.491 3.068 20 0 DGADMP Cc1nc(C)c(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)s1 ZINC001560238514 1189296965 /nfs/dbraw/zinc/29/69/65/1189296965.db2.gz QDTNNUGSHCOYRD-CALCHBBNSA-N 2 1 305.491 3.068 20 0 DGADMP Cc1nc(C)c(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)s1 ZINC001560238514 1189296967 /nfs/dbraw/zinc/29/69/67/1189296967.db2.gz QDTNNUGSHCOYRD-CALCHBBNSA-N 2 1 305.491 3.068 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)s1 ZINC001560238514 1189296969 /nfs/dbraw/zinc/29/69/69/1189296969.db2.gz QDTNNUGSHCOYRD-CALCHBBNSA-N 2 1 305.491 3.068 20 0 DGADMP CC(C)[NH+](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001560245585 1189297727 /nfs/dbraw/zinc/29/77/27/1189297727.db2.gz HSQLFEONUGCEKG-UYAOXDASSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC001560260891 1189301674 /nfs/dbraw/zinc/30/16/74/1189301674.db2.gz ZXNQMBBJFRLVLA-SJLPKXTDSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001560266936 1189301880 /nfs/dbraw/zinc/30/18/80/1189301880.db2.gz XBYJZJFVOTYLSS-ZACQAIPSSA-N 2 1 317.477 3.114 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001560266936 1189301883 /nfs/dbraw/zinc/30/18/83/1189301883.db2.gz XBYJZJFVOTYLSS-ZACQAIPSSA-N 2 1 317.477 3.114 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCOCC1 ZINC001560265878 1189302542 /nfs/dbraw/zinc/30/25/42/1189302542.db2.gz IGWXRPMQFGRKPD-MRXNPFEDSA-N 2 1 302.462 3.330 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001560291234 1189306372 /nfs/dbraw/zinc/30/63/72/1189306372.db2.gz IBQYYMVRCYCGLR-MUYFXNHWSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001560362575 1189318115 /nfs/dbraw/zinc/31/81/15/1189318115.db2.gz PXAKUEPVNNRJCA-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560362575 1189318120 /nfs/dbraw/zinc/31/81/20/1189318120.db2.gz PXAKUEPVNNRJCA-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560362575 1189318123 /nfs/dbraw/zinc/31/81/23/1189318123.db2.gz PXAKUEPVNNRJCA-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001560406851 1189324831 /nfs/dbraw/zinc/32/48/31/1189324831.db2.gz UDFKESVNWZXBMQ-QGZVFWFLSA-N 2 1 315.505 3.418 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001560406851 1189324835 /nfs/dbraw/zinc/32/48/35/1189324835.db2.gz UDFKESVNWZXBMQ-QGZVFWFLSA-N 2 1 315.505 3.418 20 0 DGADMP CCCn1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC001560435192 1189328464 /nfs/dbraw/zinc/32/84/64/1189328464.db2.gz ANSQTZVAMJOUJX-DOTOQJQBSA-N 2 1 318.509 3.344 20 0 DGADMP CCCn1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC001560435192 1189328469 /nfs/dbraw/zinc/32/84/69/1189328469.db2.gz ANSQTZVAMJOUJX-DOTOQJQBSA-N 2 1 318.509 3.344 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001560615957 1189347792 /nfs/dbraw/zinc/34/77/92/1189347792.db2.gz IAUXPBZXYBXPGR-WSTZPKSXSA-N 2 1 314.473 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2Cc2cccc(OC)c2)CC1 ZINC001560646174 1189354592 /nfs/dbraw/zinc/35/45/92/1189354592.db2.gz RXDSQVNYEDYDHY-LJQANCHMSA-N 2 1 316.489 3.434 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC001560657475 1189355709 /nfs/dbraw/zinc/35/57/09/1189355709.db2.gz NZGUJQDORMRMQS-YQVWRLOYSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC001560657475 1189355712 /nfs/dbraw/zinc/35/57/12/1189355712.db2.gz NZGUJQDORMRMQS-YQVWRLOYSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC001560657475 1189355716 /nfs/dbraw/zinc/35/57/16/1189355716.db2.gz NZGUJQDORMRMQS-YQVWRLOYSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749814 1189373973 /nfs/dbraw/zinc/37/39/73/1189373973.db2.gz YDGJQZSMNOPWAS-AEFFLSMTSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749814 1189373980 /nfs/dbraw/zinc/37/39/80/1189373980.db2.gz YDGJQZSMNOPWAS-AEFFLSMTSA-N 3 1 319.537 3.103 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749814 1189373986 /nfs/dbraw/zinc/37/39/86/1189373986.db2.gz YDGJQZSMNOPWAS-AEFFLSMTSA-N 3 1 319.537 3.103 20 0 DGADMP CCO[C@@H](C[NH2+][C@H](C)CCc1ccc(Cl)s1)C[NH+](C)C ZINC001561002853 1189418677 /nfs/dbraw/zinc/41/86/77/1189418677.db2.gz ZLIIMLCNKPFMSF-OLZOCXBDSA-N 2 1 318.914 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001561048890 1189426878 /nfs/dbraw/zinc/42/68/78/1189426878.db2.gz HLHDNSYTEANSLB-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001570262306 1190831864 /nfs/dbraw/zinc/83/18/64/1190831864.db2.gz NHMYVLGDZPQGSS-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570726411 1190932689 /nfs/dbraw/zinc/93/26/89/1190932689.db2.gz QWUOOWNPJUOESD-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001570726411 1190932690 /nfs/dbraw/zinc/93/26/90/1190932690.db2.gz QWUOOWNPJUOESD-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001570726411 1190932691 /nfs/dbraw/zinc/93/26/91/1190932691.db2.gz QWUOOWNPJUOESD-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001574775010 1191451639 /nfs/dbraw/zinc/45/16/39/1191451639.db2.gz UENNZGWGKQVUSW-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C([N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1([C@H]2CCCCO2)CCC1 ZINC001574794217 1191453279 /nfs/dbraw/zinc/45/32/79/1191453279.db2.gz BMGBXWFQDIFFDK-FGTMMUONSA-N 2 1 306.494 3.047 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC001575453546 1191483588 /nfs/dbraw/zinc/48/35/88/1191483588.db2.gz RKMNODCGSZRUJX-UXHICEINSA-N 2 1 314.473 3.048 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1c2ccccc2CC[C@H]1C[NH3+] ZINC001575699620 1191503258 /nfs/dbraw/zinc/50/32/58/1191503258.db2.gz HWWHVVYAJNHYNJ-ZWKOTPCHSA-N 2 1 301.478 3.029 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001575700331 1191503931 /nfs/dbraw/zinc/50/39/31/1191503931.db2.gz QCFNLPXHASEZAL-OALUTQOASA-N 2 1 319.537 3.103 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001575700331 1191503933 /nfs/dbraw/zinc/50/39/33/1191503933.db2.gz QCFNLPXHASEZAL-OALUTQOASA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117473 1191531069 /nfs/dbraw/zinc/53/10/69/1191531069.db2.gz PTKQRDFEUSXWTA-PXNSSMCTSA-N 3 1 315.505 3.232 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117472 1191532068 /nfs/dbraw/zinc/53/20/68/1191532068.db2.gz PTKQRDFEUSXWTA-FXAWDEMLSA-N 3 1 315.505 3.232 20 0 DGADMP C[C@H](NCC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240149 1191547401 /nfs/dbraw/zinc/54/74/01/1191547401.db2.gz VQDHBWQRVJUMCV-HKUYNNGSSA-N 2 1 317.521 3.122 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240149 1191547404 /nfs/dbraw/zinc/54/74/04/1191547404.db2.gz VQDHBWQRVJUMCV-HKUYNNGSSA-N 3 1 317.521 3.122 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240149 1191547417 /nfs/dbraw/zinc/54/74/17/1191547417.db2.gz VQDHBWQRVJUMCV-HKUYNNGSSA-N 3 1 317.521 3.122 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001620584682 1193781369 /nfs/dbraw/zinc/78/13/69/1193781369.db2.gz ZNCBROHZUFPMHH-HKUYNNGSSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001620584682 1193781372 /nfs/dbraw/zinc/78/13/72/1193781372.db2.gz ZNCBROHZUFPMHH-HKUYNNGSSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001620584682 1193781374 /nfs/dbraw/zinc/78/13/74/1193781374.db2.gz ZNCBROHZUFPMHH-HKUYNNGSSA-N 2 1 307.526 3.198 20 0 DGADMP c1ccc(C[NH+]2CCC[N@@H+](CCC3CCC3)CCOCC2)cc1 ZINC001620616180 1193783991 /nfs/dbraw/zinc/78/39/91/1193783991.db2.gz SLJMMQHCMFMXSK-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[NH+]2CCC[N@H+](CCC3CCC3)CCOCC2)cc1 ZINC001620616180 1193783992 /nfs/dbraw/zinc/78/39/92/1193783992.db2.gz SLJMMQHCMFMXSK-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[N@H+]2CCC[NH+](CCC3CCC3)CCOCC2)cc1 ZINC001620616180 1193783993 /nfs/dbraw/zinc/78/39/93/1193783993.db2.gz SLJMMQHCMFMXSK-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[N@@H+]2CCC[NH+](CCC3CCC3)CCOCC2)cc1 ZINC001620616180 1193783994 /nfs/dbraw/zinc/78/39/94/1193783994.db2.gz SLJMMQHCMFMXSK-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP COCC[NH+]1CCC([NH2+]C/C=C\c2cc(C)c(C)cc2C)CC1 ZINC001620748795 1193797914 /nfs/dbraw/zinc/79/79/14/1193797914.db2.gz QOFAMTGEYVNDQV-WAYWQWQTSA-N 2 1 316.489 3.325 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCOC)[C@@H](C)c2ccccc2)CC1 ZINC001621129008 1193805746 /nfs/dbraw/zinc/80/57/46/1193805746.db2.gz YSCJTZWXNNRVCP-KRWDZBQOSA-N 2 1 304.478 3.428 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC001621387450 1193836820 /nfs/dbraw/zinc/83/68/20/1193836820.db2.gz GTNIUTXVHMVTBV-IEBWSBKVSA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001621424254 1193840799 /nfs/dbraw/zinc/84/07/99/1193840799.db2.gz RZYVRUTVARSCFR-UHFFFAOYSA-N 2 1 318.461 3.014 20 0 DGADMP COc1ccc(SCC[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC001621440387 1193842846 /nfs/dbraw/zinc/84/28/46/1193842846.db2.gz UZHSEQRJXQWXAS-OAHLLOKOSA-N 2 1 308.491 3.109 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1C ZINC001621457992 1193845286 /nfs/dbraw/zinc/84/52/86/1193845286.db2.gz TVGVANBIOVWLBF-MAUKXSAKSA-N 2 1 319.493 3.259 20 0 DGADMP CC[N@@H+](CCOc1ccccc1OC)CC1CC[NH+](CC)CC1 ZINC001621458805 1193845613 /nfs/dbraw/zinc/84/56/13/1193845613.db2.gz OYVCYGSABFGWQX-UHFFFAOYSA-N 2 1 320.477 3.128 20 0 DGADMP CC(C)Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC001621499913 1193850122 /nfs/dbraw/zinc/85/01/22/1193850122.db2.gz PFASBDAOQIVBPO-KRWDZBQOSA-N 2 1 324.472 3.386 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC001621499913 1193850125 /nfs/dbraw/zinc/85/01/25/1193850125.db2.gz PFASBDAOQIVBPO-KRWDZBQOSA-N 2 1 324.472 3.386 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)ccc2NC)CC1 ZINC001621527893 1193854419 /nfs/dbraw/zinc/85/44/19/1193854419.db2.gz FWKSAJUQAPVXFQ-UHFFFAOYSA-N 2 1 301.478 3.487 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001621551371 1193857044 /nfs/dbraw/zinc/85/70/44/1193857044.db2.gz GDYKSFSUZKBWNW-HNNXBMFYSA-N 2 1 323.278 3.189 20 0 DGADMP CC[NH+](CC)CCOc1cccc(N[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001621563496 1193858604 /nfs/dbraw/zinc/85/86/04/1193858604.db2.gz AOWZDPBUJCJDDU-GOSISDBHSA-N 2 1 319.493 3.303 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC[C@@H](C4CC4)O3)C2)CC1 ZINC001641633814 1194863821 /nfs/dbraw/zinc/86/38/21/1194863821.db2.gz LZAJKXIRWBEGLM-SXLOBPIMSA-N 2 1 320.521 3.388 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC[C@@H](C4CC4)O3)C2)CC1 ZINC001641633814 1194863824 /nfs/dbraw/zinc/86/38/24/1194863824.db2.gz LZAJKXIRWBEGLM-SXLOBPIMSA-N 2 1 320.521 3.388 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC[C@H](C4CC4)O3)C2)CC1 ZINC001641633815 1194864210 /nfs/dbraw/zinc/86/42/10/1194864210.db2.gz LZAJKXIRWBEGLM-YSIASYRMSA-N 2 1 320.521 3.388 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC[C@H](C4CC4)O3)C2)CC1 ZINC001641633815 1194864211 /nfs/dbraw/zinc/86/42/11/1194864211.db2.gz LZAJKXIRWBEGLM-YSIASYRMSA-N 2 1 320.521 3.388 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C1(CO)CCCC1 ZINC001643216335 1195005353 /nfs/dbraw/zinc/00/53/53/1195005353.db2.gz SUQBNMGYWNEBFI-LJQANCHMSA-N 2 1 316.489 3.278 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001643216335 1195005357 /nfs/dbraw/zinc/00/53/57/1195005357.db2.gz SUQBNMGYWNEBFI-LJQANCHMSA-N 2 1 316.489 3.278 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001643216335 1195005361 /nfs/dbraw/zinc/00/53/61/1195005361.db2.gz SUQBNMGYWNEBFI-LJQANCHMSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CCC(F)(F)CC1 ZINC001644570583 1195118276 /nfs/dbraw/zinc/11/82/76/1195118276.db2.gz LTUKAPGAOSTLPW-CQSZACIVSA-N 2 1 309.404 3.418 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001644762354 1195133010 /nfs/dbraw/zinc/13/30/10/1195133010.db2.gz ZLPUGBWMHKTDSH-JKSUJKDBSA-N 2 1 318.452 3.245 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001644965046 1195146325 /nfs/dbraw/zinc/14/63/25/1195146325.db2.gz JMIXLIFIMRVWBL-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)CN1C ZINC001644965046 1195146332 /nfs/dbraw/zinc/14/63/32/1195146332.db2.gz JMIXLIFIMRVWBL-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)CN1C ZINC001644965046 1195146336 /nfs/dbraw/zinc/14/63/36/1195146336.db2.gz JMIXLIFIMRVWBL-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001645365037 1195177964 /nfs/dbraw/zinc/17/79/64/1195177964.db2.gz MQXJFPWFVHPROL-AQNXPRMDSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001645365037 1195177967 /nfs/dbraw/zinc/17/79/67/1195177967.db2.gz MQXJFPWFVHPROL-AQNXPRMDSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001645365039 1195178223 /nfs/dbraw/zinc/17/82/23/1195178223.db2.gz MQXJFPWFVHPROL-VAMGGRTRSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001645365039 1195178229 /nfs/dbraw/zinc/17/82/29/1195178229.db2.gz MQXJFPWFVHPROL-VAMGGRTRSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3)c2)CCO1 ZINC000063524709 1195298219 /nfs/dbraw/zinc/29/82/19/1195298219.db2.gz MIRZRZDQZOIOQW-KRWDZBQOSA-N 2 1 310.441 3.197 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3)c2)CCO1 ZINC000063524709 1195298222 /nfs/dbraw/zinc/29/82/22/1195298222.db2.gz MIRZRZDQZOIOQW-KRWDZBQOSA-N 2 1 310.441 3.197 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001648492963 1195304923 /nfs/dbraw/zinc/30/49/23/1195304923.db2.gz FVOPJRPNTRXLIK-APWZRJJASA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC001648492963 1195304927 /nfs/dbraw/zinc/30/49/27/1195304927.db2.gz FVOPJRPNTRXLIK-APWZRJJASA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC001648492963 1195304932 /nfs/dbraw/zinc/30/49/32/1195304932.db2.gz FVOPJRPNTRXLIK-APWZRJJASA-N 2 1 324.509 3.305 20 0 DGADMP Cn1cnc2cc(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)ccc21 ZINC001648728381 1195326253 /nfs/dbraw/zinc/32/62/53/1195326253.db2.gz RUJQKTRPIQEGNJ-UHFFFAOYSA-N 2 1 322.456 3.185 20 0 DGADMP CCC(CC)[C@H](CNCc1c[nH+]ccc1N(C)C)[NH+]1CCCC1 ZINC001648761932 1195329468 /nfs/dbraw/zinc/32/94/68/1195329468.db2.gz QGEWCNMKHUQSMY-IBGZPJMESA-N 2 1 318.509 3.138 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001649268231 1195331296 /nfs/dbraw/zinc/33/12/96/1195331296.db2.gz OJSBWHHAAOXGAG-NRFANRHFSA-N 2 1 324.468 3.283 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@@H]1c1cccs1 ZINC001650376604 1195361149 /nfs/dbraw/zinc/36/11/49/1195361149.db2.gz PWZKAXFXNFWMOT-BFYDXBDKSA-N 2 1 308.491 3.147 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@@H]1c1cccs1 ZINC001650376604 1195361152 /nfs/dbraw/zinc/36/11/52/1195361152.db2.gz PWZKAXFXNFWMOT-BFYDXBDKSA-N 2 1 308.491 3.147 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1N(C)C)[NH+]1CCCCC1 ZINC001650935304 1195396996 /nfs/dbraw/zinc/39/69/96/1195396996.db2.gz FCTHEHCXXHZHLG-HNNXBMFYSA-N 2 1 307.457 3.246 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C2 ZINC001651176389 1195423457 /nfs/dbraw/zinc/42/34/57/1195423457.db2.gz PXVJWGDGHZQNHO-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP CCc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001651309155 1195442025 /nfs/dbraw/zinc/44/20/25/1195442025.db2.gz ZLNIVHWVFDAVDJ-NRFANRHFSA-N 2 1 324.468 3.105 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc2ccccc21 ZINC001651697938 1195497981 /nfs/dbraw/zinc/49/79/81/1195497981.db2.gz LWIZZVPWZHVOBL-BHIYHBOVSA-N 2 1 310.441 3.278 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC001651697623 1195498245 /nfs/dbraw/zinc/49/82/45/1195498245.db2.gz DSTWCYGMYGEIFN-JQFCIGGWSA-N 2 1 315.848 3.318 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001651847272 1195515549 /nfs/dbraw/zinc/51/55/49/1195515549.db2.gz AZNSGMAFWHCWCG-QGZVFWFLSA-N 2 1 315.505 3.433 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001651847272 1195515555 /nfs/dbraw/zinc/51/55/55/1195515555.db2.gz AZNSGMAFWHCWCG-QGZVFWFLSA-N 2 1 315.505 3.433 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC001651943350 1195526448 /nfs/dbraw/zinc/52/64/48/1195526448.db2.gz BWZOIBDPPNZUGI-OAHLLOKOSA-N 2 1 308.853 3.135 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001652177361 1195557225 /nfs/dbraw/zinc/55/72/25/1195557225.db2.gz XXDMNCPMRYMBJD-NUJGCVRESA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)Cc1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC001652502498 1195607213 /nfs/dbraw/zinc/60/72/13/1195607213.db2.gz YWYSSFVSDPTONA-UHFFFAOYSA-N 2 1 318.505 3.164 20 0 DGADMP CC(C)Cc1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC001652502498 1195607216 /nfs/dbraw/zinc/60/72/16/1195607216.db2.gz YWYSSFVSDPTONA-UHFFFAOYSA-N 2 1 318.505 3.164 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]CCc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC001652719392 1195640452 /nfs/dbraw/zinc/64/04/52/1195640452.db2.gz QKEWAHIWDAUNTK-QUCCMNQESA-N 2 1 312.432 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653263480 1195704807 /nfs/dbraw/zinc/70/48/07/1195704807.db2.gz RULFXRAGBPKGDA-HOJAQTOUSA-N 2 1 323.484 3.480 20 0 DGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001653268794 1195705613 /nfs/dbraw/zinc/70/56/13/1195705613.db2.gz AVHCTYCJECKBIK-CGRMTHRGSA-N 2 1 312.501 3.426 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001653510337 1195729649 /nfs/dbraw/zinc/72/96/49/1195729649.db2.gz SQJSKSWFCXRDFO-PVAVHDDUSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001653510337 1195729653 /nfs/dbraw/zinc/72/96/53/1195729653.db2.gz SQJSKSWFCXRDFO-PVAVHDDUSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001653510337 1195729656 /nfs/dbraw/zinc/72/96/56/1195729656.db2.gz SQJSKSWFCXRDFO-PVAVHDDUSA-N 2 1 308.416 3.309 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)ccc1OC ZINC000069160418 1195777221 /nfs/dbraw/zinc/77/72/21/1195777221.db2.gz MMQLIMGUPQQGGV-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540713 1195815436 /nfs/dbraw/zinc/81/54/36/1195815436.db2.gz IUIMJPSSGHXHDY-TWMKSMIVSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540713 1195815439 /nfs/dbraw/zinc/81/54/39/1195815439.db2.gz IUIMJPSSGHXHDY-TWMKSMIVSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540713 1195815443 /nfs/dbraw/zinc/81/54/43/1195815443.db2.gz IUIMJPSSGHXHDY-TWMKSMIVSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540713 1195815446 /nfs/dbraw/zinc/81/54/46/1195815446.db2.gz IUIMJPSSGHXHDY-TWMKSMIVSA-N 2 1 306.400 3.061 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N[C@H](C)CCC[NH+](CC)CC)c12 ZINC001654896461 1195852550 /nfs/dbraw/zinc/85/25/50/1195852550.db2.gz UGFVTEWBHBQIBJ-CYBMUJFWSA-N 2 1 303.454 3.443 20 0 DGADMP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC001655282802 1195899584 /nfs/dbraw/zinc/89/95/84/1195899584.db2.gz PAYPDZKMMXOAFE-BRWVUGGUSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC001655282802 1195899587 /nfs/dbraw/zinc/89/95/87/1195899587.db2.gz PAYPDZKMMXOAFE-BRWVUGGUSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CCCOC2)C1 ZINC001655282927 1195899927 /nfs/dbraw/zinc/89/99/27/1195899927.db2.gz SZBBNMOOLDMTKW-QZTJIDSGSA-N 2 1 316.489 3.435 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001655343420 1195905724 /nfs/dbraw/zinc/90/57/24/1195905724.db2.gz BLCZSLCRGJUYAX-HOTGVXAUSA-N 2 1 308.416 3.451 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC001655451909 1195919514 /nfs/dbraw/zinc/91/95/14/1195919514.db2.gz ZKTWCJYYGBKIAZ-GOSISDBHSA-N 2 1 315.505 3.498 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001655725026 1195956446 /nfs/dbraw/zinc/95/64/46/1195956446.db2.gz MPZVTEAVRUQSBD-BTHPGYMESA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001655725026 1195956449 /nfs/dbraw/zinc/95/64/49/1195956449.db2.gz MPZVTEAVRUQSBD-BTHPGYMESA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001655727140 1195957655 /nfs/dbraw/zinc/95/76/55/1195957655.db2.gz RTZITWGTFHDLDE-OALUTQOASA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001655727140 1195957657 /nfs/dbraw/zinc/95/76/57/1195957657.db2.gz RTZITWGTFHDLDE-OALUTQOASA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001655727140 1195957660 /nfs/dbraw/zinc/95/76/60/1195957660.db2.gz RTZITWGTFHDLDE-OALUTQOASA-N 2 1 318.505 3.203 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001655959700 1195982314 /nfs/dbraw/zinc/98/23/14/1195982314.db2.gz KPZMBKQPKASCQE-UHFFFAOYSA-N 2 1 320.477 3.463 20 0 DGADMP CC[N@H+]1CC[C@H](CNCc2cnc(-c3ccsc3)s2)C1 ZINC001656077017 1195994664 /nfs/dbraw/zinc/99/46/64/1195994664.db2.gz QGHKUCVBIHRBKV-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1 ZINC001656573965 1196051439 /nfs/dbraw/zinc/05/14/39/1196051439.db2.gz KWMRETIXUVRCHY-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1 ZINC001656573965 1196051442 /nfs/dbraw/zinc/05/14/42/1196051442.db2.gz KWMRETIXUVRCHY-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP COc1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cc1 ZINC001656573965 1196051446 /nfs/dbraw/zinc/05/14/46/1196051446.db2.gz KWMRETIXUVRCHY-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP COc1ccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)cc1 ZINC001656573965 1196051451 /nfs/dbraw/zinc/05/14/51/1196051451.db2.gz KWMRETIXUVRCHY-KDURUIRLSA-N 2 1 300.446 3.003 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001656798311 1196072146 /nfs/dbraw/zinc/07/21/46/1196072146.db2.gz ACMAYHUBSTWRLA-HOTGVXAUSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC001656798311 1196072148 /nfs/dbraw/zinc/07/21/48/1196072148.db2.gz ACMAYHUBSTWRLA-HOTGVXAUSA-N 2 1 310.388 3.047 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2c(n1)CCCC2 ZINC001657146801 1196110889 /nfs/dbraw/zinc/11/08/89/1196110889.db2.gz JJWSCTLCMNRAHR-KRWDZBQOSA-N 2 1 315.505 3.479 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(C)c1 ZINC001657148625 1196111394 /nfs/dbraw/zinc/11/13/94/1196111394.db2.gz JZSCLPKOUDWJED-YTQUADARSA-N 2 1 302.462 3.214 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001657148326 1196111766 /nfs/dbraw/zinc/11/17/66/1196111766.db2.gz CIPQIPIDSXUNNZ-QXAKKESOSA-N 2 1 310.441 3.278 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001657148326 1196111768 /nfs/dbraw/zinc/11/17/68/1196111768.db2.gz CIPQIPIDSXUNNZ-QXAKKESOSA-N 2 1 310.441 3.278 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193830 1196116644 /nfs/dbraw/zinc/11/66/44/1196116644.db2.gz ACHXRXZWWZHUBI-SJLPKXTDSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193830 1196116646 /nfs/dbraw/zinc/11/66/46/1196116646.db2.gz ACHXRXZWWZHUBI-SJLPKXTDSA-N 2 1 314.473 3.318 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC001657192073 1196117275 /nfs/dbraw/zinc/11/72/75/1196117275.db2.gz BCISULJDMJWEFA-MOPGFXCFSA-N 2 1 310.526 3.493 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001657230832 1196120976 /nfs/dbraw/zinc/12/09/76/1196120976.db2.gz DAJGQJGTIBMZRD-IRXDYDNUSA-N 2 1 302.462 3.228 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@]3(C)CCCCO3)C2)CC1 ZINC001657304743 1196128912 /nfs/dbraw/zinc/12/89/12/1196128912.db2.gz VOABUQVXXOCSPF-RTBURBONSA-N 2 1 308.510 3.390 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC001657350484 1196133112 /nfs/dbraw/zinc/13/31/12/1196133112.db2.gz FNRHATDAZBVQBI-UHFFFAOYSA-N 3 1 316.493 3.034 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657427781 1196140267 /nfs/dbraw/zinc/14/02/67/1196140267.db2.gz KDDOGPYIERFVJT-ICSRJNTNSA-N 2 1 318.505 3.194 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001657455724 1196143118 /nfs/dbraw/zinc/14/31/18/1196143118.db2.gz CVMBYOBGVHWGCL-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001657455724 1196143122 /nfs/dbraw/zinc/14/31/22/1196143122.db2.gz CVMBYOBGVHWGCL-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001657455724 1196143127 /nfs/dbraw/zinc/14/31/27/1196143127.db2.gz CVMBYOBGVHWGCL-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC001657611897 1196160523 /nfs/dbraw/zinc/16/05/23/1196160523.db2.gz QXUYFSPRMPWQSS-MRXNPFEDSA-N 2 1 312.885 3.139 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCCCC1 ZINC001657638315 1196162560 /nfs/dbraw/zinc/16/25/60/1196162560.db2.gz LCEMWBQXQRUJAH-LJQANCHMSA-N 2 1 302.462 3.066 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(N2CCCC2)nc1)[NH+]1CCCCC1 ZINC001657768365 1196177191 /nfs/dbraw/zinc/17/71/91/1196177191.db2.gz JCHNYLIWTNCNOR-QGZVFWFLSA-N 2 1 316.493 3.036 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC001658185172 1196222331 /nfs/dbraw/zinc/22/23/31/1196222331.db2.gz ANTFHWHUZVHXRF-MRXNPFEDSA-N 2 1 306.498 3.136 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001658438284 1196256125 /nfs/dbraw/zinc/25/61/25/1196256125.db2.gz PLJSNORNMMKIQR-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001658438284 1196256131 /nfs/dbraw/zinc/25/61/31/1196256131.db2.gz PLJSNORNMMKIQR-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001658438287 1196256424 /nfs/dbraw/zinc/25/64/24/1196256424.db2.gz PLJSNORNMMKIQR-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001658438287 1196256428 /nfs/dbraw/zinc/25/64/28/1196256428.db2.gz PLJSNORNMMKIQR-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCSC4)[C@H]3C2)cc1 ZINC001658576970 1196275658 /nfs/dbraw/zinc/27/56/58/1196275658.db2.gz BZNNKOQWGWCHOE-RDGPPVDQSA-N 2 1 316.514 3.382 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC001658777951 1196299847 /nfs/dbraw/zinc/29/98/47/1196299847.db2.gz MUUUAGXJJWRQSQ-XKGZKEIXSA-N 2 1 316.489 3.188 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001658898946 1196316823 /nfs/dbraw/zinc/31/68/23/1196316823.db2.gz BTHSBMMBBYHZGN-IVZQSRNASA-N 2 1 322.518 3.149 20 0 DGADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001659026420 1196333577 /nfs/dbraw/zinc/33/35/77/1196333577.db2.gz WPRQYIXDXCTJCL-QGZVFWFLSA-N 2 1 324.509 3.353 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(C(=O)OC)c1 ZINC001659120340 1196347747 /nfs/dbraw/zinc/34/77/47/1196347747.db2.gz KNYVDLGMBWADAB-UHFFFAOYSA-N 2 1 306.450 3.027 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(C(=O)OC)c1 ZINC001659120340 1196347755 /nfs/dbraw/zinc/34/77/55/1196347755.db2.gz KNYVDLGMBWADAB-UHFFFAOYSA-N 2 1 306.450 3.027 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1N(C)C ZINC001659135920 1196349075 /nfs/dbraw/zinc/34/90/75/1196349075.db2.gz LITJCTREBFVPPD-WWTUQBGBSA-N 2 1 305.441 3.168 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1N(C)C ZINC001659135920 1196349079 /nfs/dbraw/zinc/34/90/79/1196349079.db2.gz LITJCTREBFVPPD-WWTUQBGBSA-N 2 1 305.441 3.168 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001659156105 1196353364 /nfs/dbraw/zinc/35/33/64/1196353364.db2.gz VNDIEENLDUBPGQ-CVEARBPZSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001659156105 1196353370 /nfs/dbraw/zinc/35/33/70/1196353370.db2.gz VNDIEENLDUBPGQ-CVEARBPZSA-N 2 1 312.498 3.018 20 0 DGADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001659292359 1196368103 /nfs/dbraw/zinc/36/81/03/1196368103.db2.gz FKVCKYDQFGHISL-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@@H]1C1CCC1 ZINC001659292359 1196368105 /nfs/dbraw/zinc/36/81/05/1196368105.db2.gz FKVCKYDQFGHISL-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@@H]1C1CCC1 ZINC001659292359 1196368108 /nfs/dbraw/zinc/36/81/08/1196368108.db2.gz FKVCKYDQFGHISL-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC001659292359 1196368116 /nfs/dbraw/zinc/36/81/16/1196368116.db2.gz FKVCKYDQFGHISL-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001659292359 1196368121 /nfs/dbraw/zinc/36/81/21/1196368121.db2.gz FKVCKYDQFGHISL-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](CCCO)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001659571771 1196395601 /nfs/dbraw/zinc/39/56/01/1196395601.db2.gz HGLSONXMXHRVQV-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](CCCO)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001659571771 1196395603 /nfs/dbraw/zinc/39/56/03/1196395603.db2.gz HGLSONXMXHRVQV-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](CCCO)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001659571771 1196395605 /nfs/dbraw/zinc/39/56/05/1196395605.db2.gz HGLSONXMXHRVQV-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP C[N@H+]1CCC[C@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001659577811 1196397150 /nfs/dbraw/zinc/39/71/50/1196397150.db2.gz LCGHPXLRXFNOBX-KRWDZBQOSA-N 2 1 319.518 3.381 20 0 DGADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C)c1Br ZINC001659723794 1196408991 /nfs/dbraw/zinc/40/89/91/1196408991.db2.gz SNXBEOMYCUGEGV-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(C)c1Br ZINC001659723794 1196408994 /nfs/dbraw/zinc/40/89/94/1196408994.db2.gz SNXBEOMYCUGEGV-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001659846886 1196421272 /nfs/dbraw/zinc/42/12/72/1196421272.db2.gz KWHQMKBLDGNPHN-JCYILVPMSA-N 2 1 324.509 3.207 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950306 1196432011 /nfs/dbraw/zinc/43/20/11/1196432011.db2.gz CYACBECKBJOWTM-GDBMZVCRSA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950306 1196432013 /nfs/dbraw/zinc/43/20/13/1196432013.db2.gz CYACBECKBJOWTM-GDBMZVCRSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950306 1196432016 /nfs/dbraw/zinc/43/20/16/1196432016.db2.gz CYACBECKBJOWTM-GDBMZVCRSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001659950306 1196432021 /nfs/dbraw/zinc/43/20/21/1196432021.db2.gz CYACBECKBJOWTM-GDBMZVCRSA-N 2 1 324.896 3.221 20 0 DGADMP CC1(C)CCC(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001660004707 1196436708 /nfs/dbraw/zinc/43/67/08/1196436708.db2.gz ZXFJOQJHRWJWOQ-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001660004707 1196436714 /nfs/dbraw/zinc/43/67/14/1196436714.db2.gz ZXFJOQJHRWJWOQ-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001660225174 1196459213 /nfs/dbraw/zinc/45/92/13/1196459213.db2.gz YKSWSHIENVHIJN-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001660225174 1196459214 /nfs/dbraw/zinc/45/92/14/1196459214.db2.gz YKSWSHIENVHIJN-OJAHFUOMSA-N 2 1 314.473 3.008 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCCc3cccnc3)CC2)cc1 ZINC000076276979 1196468720 /nfs/dbraw/zinc/46/87/20/1196468720.db2.gz AMQQHOMUIZDSNJ-UHFFFAOYSA-N 2 1 309.457 3.268 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C ZINC001660915050 1196542333 /nfs/dbraw/zinc/54/23/33/1196542333.db2.gz CFNUXDJARUICMB-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C ZINC001660915050 1196542342 /nfs/dbraw/zinc/54/23/42/1196542342.db2.gz CFNUXDJARUICMB-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1 ZINC001660945339 1196544438 /nfs/dbraw/zinc/54/44/38/1196544438.db2.gz NMXFDTSOARIOJN-HUUCEWRRSA-N 2 1 319.493 3.165 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC001660949494 1196545717 /nfs/dbraw/zinc/54/57/17/1196545717.db2.gz SLAQOERRWPEJTE-INIZCTEOSA-N 2 1 314.477 3.387 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C2 ZINC001660976607 1196548961 /nfs/dbraw/zinc/54/89/61/1196548961.db2.gz LWDIECMNUUJLHQ-QGZVFWFLSA-N 2 1 313.445 3.127 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001661183663 1196576710 /nfs/dbraw/zinc/57/67/10/1196576710.db2.gz HFGSUDKJAQYDAK-WMZOPIPTSA-N 2 1 316.489 3.264 20 0 DGADMP CCCn1cncc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188163 1196692360 /nfs/dbraw/zinc/69/23/60/1196692360.db2.gz NQNHLTOXAGRCSZ-CVEARBPZSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1cncc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188163 1196692362 /nfs/dbraw/zinc/69/23/62/1196692362.db2.gz NQNHLTOXAGRCSZ-CVEARBPZSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cnn(-c2ccccc2)c1)[NH+]1CCCCC1 ZINC001662194315 1196692739 /nfs/dbraw/zinc/69/27/39/1196692739.db2.gz TZKUPLPMDQHSRZ-KRWDZBQOSA-N 2 1 312.461 3.226 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1Br ZINC001663484034 1196885082 /nfs/dbraw/zinc/88/50/82/1196885082.db2.gz QWTKINXXNZMQGU-IIAWOOMASA-N 2 1 323.278 3.187 20 0 DGADMP CC[N@@H+](CCO)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001664087927 1196969997 /nfs/dbraw/zinc/96/99/97/1196969997.db2.gz JXJXJUREZOHAIF-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP CC[NH+](CCO)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001664087927 1196969998 /nfs/dbraw/zinc/96/99/98/1196969998.db2.gz JXJXJUREZOHAIF-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP CC[NH+](CCO)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001664087927 1196970000 /nfs/dbraw/zinc/97/00/00/1196970000.db2.gz JXJXJUREZOHAIF-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP CCC[C@@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001664686218 1197034679 /nfs/dbraw/zinc/03/46/79/1197034679.db2.gz KNHRHVATHBJUOX-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001664686218 1197034682 /nfs/dbraw/zinc/03/46/82/1197034682.db2.gz KNHRHVATHBJUOX-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001664686218 1197034685 /nfs/dbraw/zinc/03/46/85/1197034685.db2.gz KNHRHVATHBJUOX-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000080204789 1197043793 /nfs/dbraw/zinc/04/37/93/1197043793.db2.gz VUHXYMVGVXUPLF-RTBURBONSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H](O)C[C@H](C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080204316 1197043849 /nfs/dbraw/zinc/04/38/49/1197043849.db2.gz NYNYXHAPJLZBMG-DLBZAZTESA-N 2 1 306.494 3.141 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001664910198 1197079080 /nfs/dbraw/zinc/07/90/80/1197079080.db2.gz UMQCQKNLRRFABG-BJLQDIEVSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001664910198 1197079081 /nfs/dbraw/zinc/07/90/81/1197079081.db2.gz UMQCQKNLRRFABG-BJLQDIEVSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001664910198 1197079083 /nfs/dbraw/zinc/07/90/83/1197079083.db2.gz UMQCQKNLRRFABG-BJLQDIEVSA-N 2 1 317.521 3.358 20 0 DGADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001664984286 1197083831 /nfs/dbraw/zinc/08/38/31/1197083831.db2.gz UPFSUPJQQMWIAH-RDJZCZTQSA-N 2 1 302.462 3.090 20 0 DGADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001664984286 1197083835 /nfs/dbraw/zinc/08/38/35/1197083835.db2.gz UPFSUPJQQMWIAH-RDJZCZTQSA-N 2 1 302.462 3.090 20 0 DGADMP CCCCCCN1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001665157258 1197103546 /nfs/dbraw/zinc/10/35/46/1197103546.db2.gz OYDNTNIDPXOJJF-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001665157258 1197103549 /nfs/dbraw/zinc/10/35/49/1197103549.db2.gz OYDNTNIDPXOJJF-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001665157258 1197103551 /nfs/dbraw/zinc/10/35/51/1197103551.db2.gz OYDNTNIDPXOJJF-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C2 ZINC001665160994 1197104299 /nfs/dbraw/zinc/10/42/99/1197104299.db2.gz XVQHBAWGVZMOTH-QGZVFWFLSA-N 2 1 304.478 3.120 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001665494675 1197144107 /nfs/dbraw/zinc/14/41/07/1197144107.db2.gz OMYYUZZVIHSNFU-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccncc1CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001665601150 1197156609 /nfs/dbraw/zinc/15/66/09/1197156609.db2.gz ULABKVGXRPDIIC-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000323078745 1197689938 /nfs/dbraw/zinc/68/99/38/1197689938.db2.gz QXOPYKGMKBDVEA-VIFPVBQESA-N 2 1 305.647 3.190 20 0 DGADMP CCc1cc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000379682121 1197703298 /nfs/dbraw/zinc/70/32/98/1197703298.db2.gz VWCFWHKKHQSAEX-OAHLLOKOSA-N 2 1 312.461 3.092 20 0 DGADMP CCc1cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000379682121 1197703303 /nfs/dbraw/zinc/70/33/03/1197703303.db2.gz VWCFWHKKHQSAEX-OAHLLOKOSA-N 2 1 312.461 3.092 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+](C)C2CCCC2)C1 ZINC000088715473 1197769145 /nfs/dbraw/zinc/76/91/45/1197769145.db2.gz KKGRFKIWJKKWPE-MJGOQNOKSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC000088715473 1197769153 /nfs/dbraw/zinc/76/91/53/1197769153.db2.gz KKGRFKIWJKKWPE-MJGOQNOKSA-N 2 1 315.505 3.286 20 0 DGADMP CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001674981588 1197946517 /nfs/dbraw/zinc/94/65/17/1197946517.db2.gz XOYOUCKCJULZBY-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001674981588 1197946520 /nfs/dbraw/zinc/94/65/20/1197946520.db2.gz XOYOUCKCJULZBY-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001674981588 1197946524 /nfs/dbraw/zinc/94/65/24/1197946524.db2.gz XOYOUCKCJULZBY-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000091870914 1198481566 /nfs/dbraw/zinc/48/15/66/1198481566.db2.gz SIOKZJIFFRQFQI-UHFFFAOYSA-N 2 1 311.267 3.412 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCSCC1 ZINC000093336799 1198678343 /nfs/dbraw/zinc/67/83/43/1198678343.db2.gz YCCRJSJDPWSSKO-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000093336799 1198678351 /nfs/dbraw/zinc/67/83/51/1198678351.db2.gz YCCRJSJDPWSSKO-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000093336799 1198678356 /nfs/dbraw/zinc/67/83/56/1198678356.db2.gz YCCRJSJDPWSSKO-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1F ZINC000093465461 1198693645 /nfs/dbraw/zinc/69/36/45/1198693645.db2.gz YRFSDSICBGUPTL-GXFFZTMASA-N 2 1 315.230 3.208 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400170611 1199345765 /nfs/dbraw/zinc/34/57/65/1199345765.db2.gz KIYDXYWSMLSKQN-AZUAARDMSA-N 2 1 316.489 3.303 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccccn23)c1 ZINC000105449067 1199540722 /nfs/dbraw/zinc/54/07/22/1199540722.db2.gz NOGZQNKHEFYPFJ-UHFFFAOYSA-N 2 1 308.429 3.076 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000105456759 1199541393 /nfs/dbraw/zinc/54/13/93/1199541393.db2.gz NJZJNXMZTDDDAK-INIZCTEOSA-N 2 1 318.461 3.058 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000105456759 1199541397 /nfs/dbraw/zinc/54/13/97/1199541397.db2.gz NJZJNXMZTDDDAK-INIZCTEOSA-N 2 1 318.461 3.058 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000105457018 1199542478 /nfs/dbraw/zinc/54/24/78/1199542478.db2.gz ZHURFKAHTFZNQH-SFHVURJKSA-N 2 1 312.461 3.082 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000105457648 1199542688 /nfs/dbraw/zinc/54/26/88/1199542688.db2.gz LJTOOCWTPVIHDX-CQSZACIVSA-N 2 1 312.404 3.498 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000105457648 1199542690 /nfs/dbraw/zinc/54/26/90/1199542690.db2.gz LJTOOCWTPVIHDX-CQSZACIVSA-N 2 1 312.404 3.498 20 0 DGADMP Cc1n[nH]c(C)c1CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309716508 1199708197 /nfs/dbraw/zinc/70/81/97/1199708197.db2.gz KYGBWCXXWBYHQY-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309716508 1199708202 /nfs/dbraw/zinc/70/82/02/1199708202.db2.gz KYGBWCXXWBYHQY-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000421839312 1199772006 /nfs/dbraw/zinc/77/20/06/1199772006.db2.gz WRGWJVQPCBIFGC-MOPGFXCFSA-N 2 1 313.489 3.183 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000421839312 1199772009 /nfs/dbraw/zinc/77/20/09/1199772009.db2.gz WRGWJVQPCBIFGC-MOPGFXCFSA-N 2 1 313.489 3.183 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116367362 1199797717 /nfs/dbraw/zinc/79/77/17/1199797717.db2.gz IJXMEGNDNCZLLD-INIZCTEOSA-N 2 1 312.461 3.342 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000430571226 1199829173 /nfs/dbraw/zinc/82/91/73/1199829173.db2.gz LQNVMKGGDVFJPQ-OAHLLOKOSA-N 2 1 318.383 3.389 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000318582799 1199833074 /nfs/dbraw/zinc/83/30/74/1199833074.db2.gz DOLMXNKCEVXORP-LPHOPBHVSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000318859850 1199835221 /nfs/dbraw/zinc/83/52/21/1199835221.db2.gz OTIOTTSYONPMKC-HZPDHXFCSA-N 2 1 302.462 3.090 20 0 DGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccccc1F ZINC000119753041 1200115252 /nfs/dbraw/zinc/11/52/52/1200115252.db2.gz MZAFEDJWZXCJKT-UHFFFAOYSA-N 2 1 302.393 3.056 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000120190477 1200136923 /nfs/dbraw/zinc/13/69/23/1200136923.db2.gz KGZNIDYGONWDKW-OALUTQOASA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000120785015 1200170823 /nfs/dbraw/zinc/17/08/23/1200170823.db2.gz ZWKJKVAUQOWTIE-AWEZNQCLSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000120785015 1200170825 /nfs/dbraw/zinc/17/08/25/1200170825.db2.gz ZWKJKVAUQOWTIE-AWEZNQCLSA-N 2 1 307.507 3.478 20 0 DGADMP Brc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000120968900 1200185984 /nfs/dbraw/zinc/18/59/84/1200185984.db2.gz ZEFFRTBMIZTMIS-UHFFFAOYSA-N 2 1 323.278 3.413 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCCCC3)c2)CCO1 ZINC000121692616 1200227039 /nfs/dbraw/zinc/22/70/39/1200227039.db2.gz BHUOTMOHNCDAJM-INIZCTEOSA-N 2 1 302.462 3.330 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCCCC3)c2)CCO1 ZINC000121692616 1200227052 /nfs/dbraw/zinc/22/70/52/1200227052.db2.gz BHUOTMOHNCDAJM-INIZCTEOSA-N 2 1 302.462 3.330 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000121826521 1200240428 /nfs/dbraw/zinc/24/04/28/1200240428.db2.gz VZGJQFSEIVEGAB-JKSUJKDBSA-N 2 1 318.461 3.230 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000123637397 1200281722 /nfs/dbraw/zinc/28/17/22/1200281722.db2.gz GDLYGYHFOFCXRS-HNNXBMFYSA-N 2 1 313.445 3.150 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000123637397 1200281728 /nfs/dbraw/zinc/28/17/28/1200281728.db2.gz GDLYGYHFOFCXRS-HNNXBMFYSA-N 2 1 313.445 3.150 20 0 DGADMP c1ccc(NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000125165008 1200365676 /nfs/dbraw/zinc/36/56/76/1200365676.db2.gz UXWWUHSZVRPVLE-UHFFFAOYSA-N 2 1 301.478 3.439 20 0 DGADMP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001690345014 1200504596 /nfs/dbraw/zinc/50/45/96/1200504596.db2.gz GJFUPXQFQVOJND-IYBDPMFKSA-N 2 1 323.525 3.066 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755024965 1200586210 /nfs/dbraw/zinc/58/62/10/1200586210.db2.gz LZTBJVNQYRPGKS-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755024965 1200586214 /nfs/dbraw/zinc/58/62/14/1200586214.db2.gz LZTBJVNQYRPGKS-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024965 1200586218 /nfs/dbraw/zinc/58/62/18/1200586218.db2.gz LZTBJVNQYRPGKS-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001755701521 1201026368 /nfs/dbraw/zinc/02/63/68/1201026368.db2.gz PKIUKJLQDVMHTR-ZHALLVOQSA-N 2 1 323.525 3.020 20 0 DGADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000135870922 1201206249 /nfs/dbraw/zinc/20/62/49/1201206249.db2.gz NOPGNMAPYJTWIS-ZDUSSCGKSA-N 2 1 305.491 3.375 20 0 DGADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000135870922 1201206252 /nfs/dbraw/zinc/20/62/52/1201206252.db2.gz NOPGNMAPYJTWIS-ZDUSSCGKSA-N 2 1 305.491 3.375 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001700184028 1202200006 /nfs/dbraw/zinc/20/00/06/1202200006.db2.gz IBXQCHUIFGLPFD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001700184028 1202200009 /nfs/dbraw/zinc/20/00/09/1202200009.db2.gz IBXQCHUIFGLPFD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001700184028 1202200010 /nfs/dbraw/zinc/20/00/10/1202200010.db2.gz IBXQCHUIFGLPFD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700408682 1202264387 /nfs/dbraw/zinc/26/43/87/1202264387.db2.gz JZUPSXUAYXVQIJ-IRXDYDNUSA-N 2 1 323.525 3.090 20 0 DGADMP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001700758317 1202349454 /nfs/dbraw/zinc/34/94/54/1202349454.db2.gz BBQDQNQPLGXVKX-MRXNPFEDSA-N 2 1 323.525 3.042 20 0 DGADMP c1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000236581799 1202612708 /nfs/dbraw/zinc/61/27/08/1202612708.db2.gz QDZAZRGIZKPXPG-HNNXBMFYSA-N 2 1 314.429 3.023 20 0 DGADMP CCCOc1cccc(C[NH2+]C2CC[NH+](CCCOC)CC2)c1 ZINC000236875752 1202631421 /nfs/dbraw/zinc/63/14/21/1202631421.db2.gz PFNRKDACFYHWNK-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCCCC3)cc2)CC1 ZINC000236960475 1202637694 /nfs/dbraw/zinc/63/76/94/1202637694.db2.gz DZBJJDIDFMUAHS-UHFFFAOYSA-N 2 1 315.505 3.246 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCCO1 ZINC000237132216 1202649397 /nfs/dbraw/zinc/64/93/97/1202649397.db2.gz VGOYCOHTKCTOPT-GOSISDBHSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1ccc(-c2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2)cc1 ZINC000237728018 1202692532 /nfs/dbraw/zinc/69/25/32/1202692532.db2.gz DZQKMRBDKJNVMA-NRFANRHFSA-N 2 1 324.468 3.208 20 0 DGADMP CCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001716795350 1203544007 /nfs/dbraw/zinc/54/40/07/1203544007.db2.gz NEYMXLNZWVRYNM-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001716795351 1203544141 /nfs/dbraw/zinc/54/41/41/1203544141.db2.gz NEYMXLNZWVRYNM-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001717856353 1203722846 /nfs/dbraw/zinc/72/28/46/1203722846.db2.gz RUOSVKYDUNVERB-RDJZCZTQSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001717856353 1203722847 /nfs/dbraw/zinc/72/28/47/1203722847.db2.gz RUOSVKYDUNVERB-RDJZCZTQSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001717856353 1203722848 /nfs/dbraw/zinc/72/28/48/1203722848.db2.gz RUOSVKYDUNVERB-RDJZCZTQSA-N 2 1 323.525 3.019 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC(C)C)c1 ZINC000166820471 1203810396 /nfs/dbraw/zinc/81/03/96/1203810396.db2.gz QGFDYNITUAENGB-ZWKOTPCHSA-N 2 1 302.462 3.499 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC(C)C)c1 ZINC000166820471 1203810398 /nfs/dbraw/zinc/81/03/98/1203810398.db2.gz QGFDYNITUAENGB-ZWKOTPCHSA-N 2 1 302.462 3.499 20 0 DGADMP CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723101877 1203957808 /nfs/dbraw/zinc/95/78/08/1203957808.db2.gz YDKYSEVKTWNBKY-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001733046396 1204999310 /nfs/dbraw/zinc/99/93/10/1204999310.db2.gz XHFGICBTAJGDSM-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001733046396 1204999313 /nfs/dbraw/zinc/99/93/13/1204999313.db2.gz XHFGICBTAJGDSM-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001733046396 1204999321 /nfs/dbraw/zinc/99/93/21/1204999321.db2.gz XHFGICBTAJGDSM-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)[C@@H]1CCCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001165034271 721897001 /nfs/dbraw/zinc/89/70/01/721897001.db2.gz AGOKDPGOAPPISG-QGZVFWFLSA-N 2 1 324.472 3.365 20 0 DGADMP Cc1cc[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955516 722012211 /nfs/dbraw/zinc/01/22/11/722012211.db2.gz VQQZNOIFXWMZMJ-UHFFFAOYSA-N 2 1 322.456 3.278 20 0 DGADMP Cc1cc[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955516 722012215 /nfs/dbraw/zinc/01/22/15/722012215.db2.gz VQQZNOIFXWMZMJ-UHFFFAOYSA-N 2 1 322.456 3.278 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)n1c[nH+]cc1CC[NH3+] ZINC001256214465 1106391815 /nfs/dbraw/zinc/39/18/15/1106391815.db2.gz JKWQLBMPFJXABV-LBPRGKRZSA-N 2 1 322.250 3.341 20 0 DGADMP CC(C)C1(C)CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001169507284 1081578881 /nfs/dbraw/zinc/57/88/81/1081578881.db2.gz LSTRJIQQAYKWGX-IBGZPJMESA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001169507284 1081578888 /nfs/dbraw/zinc/57/88/88/1081578888.db2.gz LSTRJIQQAYKWGX-IBGZPJMESA-N 2 1 318.505 3.237 20 0 DGADMP Cc1ccc2c(c1)[nH+]ccc2N1CCCc2ccc(C[NH3+])nc21 ZINC001169591474 1081600517 /nfs/dbraw/zinc/60/05/17/1081600517.db2.gz KTWHOWFOVMOMSQ-UHFFFAOYSA-N 2 1 304.397 3.481 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC001169668073 1081623788 /nfs/dbraw/zinc/62/37/88/1081623788.db2.gz ZROBEZKGQMUOGM-MJGOQNOKSA-N 2 1 318.505 3.381 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC001169668073 1081623791 /nfs/dbraw/zinc/62/37/91/1081623791.db2.gz ZROBEZKGQMUOGM-MJGOQNOKSA-N 2 1 318.505 3.381 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC001169668076 1081623928 /nfs/dbraw/zinc/62/39/28/1081623928.db2.gz ZROBEZKGQMUOGM-PKOBYXMFSA-N 2 1 318.505 3.381 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC001169668076 1081623931 /nfs/dbraw/zinc/62/39/31/1081623931.db2.gz ZROBEZKGQMUOGM-PKOBYXMFSA-N 2 1 318.505 3.381 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cs1)CC2 ZINC001204028746 1081626242 /nfs/dbraw/zinc/62/62/42/1081626242.db2.gz XURSOHRYHJYFOK-UHFFFAOYSA-N 2 1 315.280 3.038 20 0 DGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169811673 1081659084 /nfs/dbraw/zinc/65/90/84/1081659084.db2.gz WHKSIMFRVOIICL-PLQXZHKYSA-N 2 1 323.525 3.092 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266461812 1081857679 /nfs/dbraw/zinc/85/76/79/1081857679.db2.gz XCANLNZNJXMYCX-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266461812 1081857682 /nfs/dbraw/zinc/85/76/82/1081857682.db2.gz XCANLNZNJXMYCX-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000398029006 1082059486 /nfs/dbraw/zinc/05/94/86/1082059486.db2.gz MSVATTLHLGOJMP-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000398029006 1082059489 /nfs/dbraw/zinc/05/94/89/1082059489.db2.gz MSVATTLHLGOJMP-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001170147717 1082223829 /nfs/dbraw/zinc/22/38/29/1082223829.db2.gz AWJILOUTGBHMHJ-KDURUIRLSA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC001648913596 1082289436 /nfs/dbraw/zinc/28/94/36/1082289436.db2.gz AKANFBQKTHKRIM-SJORKVTESA-N 2 1 310.526 3.418 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001170235251 1082323341 /nfs/dbraw/zinc/32/33/41/1082323341.db2.gz LIWJXFKCZDOEIJ-SLFFLAALSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001170235251 1082323346 /nfs/dbraw/zinc/32/33/46/1082323346.db2.gz LIWJXFKCZDOEIJ-SLFFLAALSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001170235251 1082323354 /nfs/dbraw/zinc/32/33/54/1082323354.db2.gz LIWJXFKCZDOEIJ-SLFFLAALSA-N 2 1 316.489 3.398 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170413123 1082370783 /nfs/dbraw/zinc/37/07/83/1082370783.db2.gz USODKBGPRZLZLM-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170413123 1082370790 /nfs/dbraw/zinc/37/07/90/1082370790.db2.gz USODKBGPRZLZLM-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(C)(C)C[NH+](C)C ZINC001207288196 1082527286 /nfs/dbraw/zinc/52/72/86/1082527286.db2.gz JENXZYLCRVBXRU-IBGZPJMESA-N 2 1 317.521 3.171 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC23CCOCC3)C[C@H]1C ZINC001167586631 1082566393 /nfs/dbraw/zinc/56/63/93/1082566393.db2.gz PBJKYWRLVHFNAH-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC23CCOCC3)C[C@H]1C ZINC001167586631 1082566395 /nfs/dbraw/zinc/56/63/95/1082566395.db2.gz PBJKYWRLVHFNAH-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132110906 1082820700 /nfs/dbraw/zinc/82/07/00/1082820700.db2.gz MZGNWMGPCYVTNG-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110906 1082820703 /nfs/dbraw/zinc/82/07/03/1082820703.db2.gz MZGNWMGPCYVTNG-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110906 1082820705 /nfs/dbraw/zinc/82/07/05/1082820705.db2.gz MZGNWMGPCYVTNG-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001493309315 1082828347 /nfs/dbraw/zinc/82/83/47/1082828347.db2.gz LEUYSUDKBKSKOF-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537538 1082836789 /nfs/dbraw/zinc/83/67/89/1082836789.db2.gz KYKZMTNSHNLRSG-ZBFHGGJFSA-N 2 1 321.428 3.138 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537538 1082836798 /nfs/dbraw/zinc/83/67/98/1082836798.db2.gz KYKZMTNSHNLRSG-ZBFHGGJFSA-N 2 1 321.428 3.138 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269585 1082863788 /nfs/dbraw/zinc/86/37/88/1082863788.db2.gz MFKDMHQDMKRAAQ-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000708587670 1082868722 /nfs/dbraw/zinc/86/87/22/1082868722.db2.gz PRNGAIVMDGUOFL-QXAKKESOSA-N 2 1 304.478 3.159 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410429 1082905100 /nfs/dbraw/zinc/90/51/00/1082905100.db2.gz LMWCMMBZLVKZMD-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410429 1082905104 /nfs/dbraw/zinc/90/51/04/1082905104.db2.gz LMWCMMBZLVKZMD-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410429 1082905109 /nfs/dbraw/zinc/90/51/09/1082905109.db2.gz LMWCMMBZLVKZMD-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517460 1082928132 /nfs/dbraw/zinc/92/81/32/1082928132.db2.gz CNXKTAVHZSYJTK-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548817 1082942763 /nfs/dbraw/zinc/94/27/63/1082942763.db2.gz JOTFCLPYLNNYMB-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170667495 1083070153 /nfs/dbraw/zinc/07/01/53/1083070153.db2.gz WAEREULBUDCNAM-WBAXXEDZSA-N 2 1 308.416 3.285 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170750933 1083288260 /nfs/dbraw/zinc/28/82/60/1083288260.db2.gz OIDGUBBVYNAEGP-QZTJIDSGSA-N 2 1 323.525 3.090 20 0 DGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612467 1083311804 /nfs/dbraw/zinc/31/18/04/1083311804.db2.gz MQWNLCNUMBHLCX-PMKBXARWSA-N 2 1 323.525 3.090 20 0 DGADMP Cc1cc(N([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001170767954 1083319678 /nfs/dbraw/zinc/31/96/78/1083319678.db2.gz UQXNQDKRLDLUJN-BJWYYQGGSA-N 2 1 314.477 3.086 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC001134772823 1083329599 /nfs/dbraw/zinc/32/95/99/1083329599.db2.gz HXNCGIQNNARDLK-HZPDHXFCSA-N 2 1 313.530 3.026 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@](C)(OC)C1CC1 ZINC001181487744 1083483039 /nfs/dbraw/zinc/48/30/39/1083483039.db2.gz QHHJEXSZCDJJCW-LJQANCHMSA-N 2 1 304.478 3.385 20 0 DGADMP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1C ZINC001204355342 1083788158 /nfs/dbraw/zinc/78/81/58/1083788158.db2.gz LPMGWEOJOJNDHM-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1C ZINC001204355342 1083788166 /nfs/dbraw/zinc/78/81/66/1083788166.db2.gz LPMGWEOJOJNDHM-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1 ZINC001183064994 1083871640 /nfs/dbraw/zinc/87/16/40/1083871640.db2.gz CDKCSVAZVRYYQY-CRAIPNDOSA-N 2 1 318.461 3.025 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001205255069 1083876634 /nfs/dbraw/zinc/87/66/34/1083876634.db2.gz FWHZBAVQBFTISR-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCN1c1cc[nH+]cc1 ZINC001183550653 1083969016 /nfs/dbraw/zinc/96/90/16/1083969016.db2.gz KNQNALPKSFZVRA-WOMSROEHSA-N 2 1 311.404 3.445 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205281052 1084024657 /nfs/dbraw/zinc/02/46/57/1084024657.db2.gz OWERNXWKZRXGGP-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205281052 1084024663 /nfs/dbraw/zinc/02/46/63/1084024663.db2.gz OWERNXWKZRXGGP-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001167838205 1084163350 /nfs/dbraw/zinc/16/33/50/1084163350.db2.gz RNADZBGEJKMZGD-SJLPKXTDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001167842884 1084189786 /nfs/dbraw/zinc/18/97/86/1084189786.db2.gz ZMPICFSBNPSBBP-QUCCMNQESA-N 2 1 318.505 3.440 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(C)cc2)CC1 ZINC000154816369 1084641454 /nfs/dbraw/zinc/64/14/54/1084641454.db2.gz JUIKJYUWLBNJRA-QGZVFWFLSA-N 2 1 304.478 3.017 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204937195 1084861861 /nfs/dbraw/zinc/86/18/61/1084861861.db2.gz AFUQOHYIAMGWDH-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204937195 1084861866 /nfs/dbraw/zinc/86/18/66/1084861866.db2.gz AFUQOHYIAMGWDH-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001204727526 1084862159 /nfs/dbraw/zinc/86/21/59/1084862159.db2.gz BZZKJBZQLYAPGT-UHFFFAOYSA-N 2 1 302.462 3.278 20 0 DGADMP Fc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961684 1085717367 /nfs/dbraw/zinc/71/73/67/1085717367.db2.gz MXRPAJOKZBZODX-ALOPSCKCSA-N 2 1 318.436 3.200 20 0 DGADMP CCC[NH+](CCC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961969 1085728114 /nfs/dbraw/zinc/72/81/14/1085728114.db2.gz RFQWATNNMQQVDL-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1(CC3CC3)CCOCC1)C2 ZINC001167979044 1085931498 /nfs/dbraw/zinc/93/14/98/1085931498.db2.gz SZYSHUICKQSSQB-YQQQUEKLSA-N 2 1 318.505 3.331 20 0 DGADMP CN(Cc1cnc2ccccn12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167983354 1085938313 /nfs/dbraw/zinc/93/83/13/1085938313.db2.gz GMSKWCOFWSSPMX-JWTNVVGKSA-N 2 1 324.472 3.172 20 0 DGADMP CCCOC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995463 1086063426 /nfs/dbraw/zinc/06/34/26/1086063426.db2.gz GKMHFLLDVJOTOU-JWTNVVGKSA-N 2 1 306.494 3.283 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995722 1086064316 /nfs/dbraw/zinc/06/43/16/1086064316.db2.gz OWICELLVKNBBPQ-WFFDWFOESA-N 2 1 306.494 3.281 20 0 DGADMP COC(C)(C)[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995722 1086064332 /nfs/dbraw/zinc/06/43/32/1086064332.db2.gz OWICELLVKNBBPQ-WFFDWFOESA-N 2 1 306.494 3.281 20 0 DGADMP COC(C)(C)[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995722 1086064338 /nfs/dbraw/zinc/06/43/38/1086064338.db2.gz OWICELLVKNBBPQ-WFFDWFOESA-N 2 1 306.494 3.281 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756089 1086164215 /nfs/dbraw/zinc/16/42/15/1086164215.db2.gz LIDDIDRWWDFSMB-SFHVURJKSA-N 2 1 310.441 3.212 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008489 1086169823 /nfs/dbraw/zinc/16/98/23/1086169823.db2.gz XGEFMRSRCKYVCG-IZZQQSIFSA-N 2 1 304.478 3.443 20 0 DGADMP C[C@H]1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012421 1086242837 /nfs/dbraw/zinc/24/28/37/1086242837.db2.gz ZUIOQEKUVHDEIA-PBWTXFEYSA-N 3 1 315.505 3.288 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749622 1086395209 /nfs/dbraw/zinc/39/52/09/1086395209.db2.gz RUIQMGQGVAFYFG-RCCFBDPRSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749622 1086395221 /nfs/dbraw/zinc/39/52/21/1086395221.db2.gz RUIQMGQGVAFYFG-RCCFBDPRSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749622 1086395232 /nfs/dbraw/zinc/39/52/32/1086395232.db2.gz RUIQMGQGVAFYFG-RCCFBDPRSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)CC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040034 1086500381 /nfs/dbraw/zinc/50/03/81/1086500381.db2.gz JXLLLBGMBZFPJX-VROUVPMXSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)CC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040034 1086500385 /nfs/dbraw/zinc/50/03/85/1086500385.db2.gz JXLLLBGMBZFPJX-VROUVPMXSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040034 1086500387 /nfs/dbraw/zinc/50/03/87/1086500387.db2.gz JXLLLBGMBZFPJX-VROUVPMXSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040034 1086500394 /nfs/dbraw/zinc/50/03/94/1086500394.db2.gz JXLLLBGMBZFPJX-VROUVPMXSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@@H+](C)CC2COC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065453 1086661514 /nfs/dbraw/zinc/66/15/14/1086661514.db2.gz WHEGGCHILUGJOY-HZPDHXFCSA-N 2 1 302.462 3.006 20 0 DGADMP C[C@@H]1C[C@@H](N(C)Cc2ccncn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168066643 1086686335 /nfs/dbraw/zinc/68/63/35/1086686335.db2.gz QRQBBTSVHWKOFJ-XEMDLRDOSA-N 2 1 324.472 3.350 20 0 DGADMP C[N@@H+](Cc1c(Cl)cc(O)cc1Cl)CC1CC[NH+](C)CC1 ZINC001142115057 1086815224 /nfs/dbraw/zinc/81/52/24/1086815224.db2.gz VJXJAGULLAZOQD-UHFFFAOYSA-N 2 1 317.260 3.473 20 0 DGADMP C[N@H+](Cc1c(Cl)cc(O)cc1Cl)CC1CC[NH+](C)CC1 ZINC001142115057 1086815235 /nfs/dbraw/zinc/81/52/35/1086815235.db2.gz VJXJAGULLAZOQD-UHFFFAOYSA-N 2 1 317.260 3.473 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168100664 1086876060 /nfs/dbraw/zinc/87/60/60/1086876060.db2.gz DCXCVMXSUHVKMW-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103668 1086888326 /nfs/dbraw/zinc/88/83/26/1086888326.db2.gz SIXJFDBBUHMDQJ-QZHFEQFPSA-N 2 1 320.452 3.465 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001168252157 1087073822 /nfs/dbraw/zinc/07/38/22/1087073822.db2.gz NKTXZQGECCBZSB-OALUTQOASA-N 2 1 314.473 3.017 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001168252157 1087073829 /nfs/dbraw/zinc/07/38/29/1087073829.db2.gz NKTXZQGECCBZSB-OALUTQOASA-N 2 1 314.473 3.017 20 0 DGADMP COc1cccc(CCC[N@@H+](C)C2CCC([NH+](C)C)CC2)c1 ZINC001168327641 1087295654 /nfs/dbraw/zinc/29/56/54/1087295654.db2.gz QIHJPOQEAGLQIL-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001168329613 1087296506 /nfs/dbraw/zinc/29/65/06/1087296506.db2.gz YPDGFPLETSWJQS-MGULZYLOSA-N 2 1 316.371 3.216 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001168331029 1087296838 /nfs/dbraw/zinc/29/68/38/1087296838.db2.gz WXEHDGWZFGZOAT-ABHNRTSZSA-N 2 1 306.425 3.072 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001168331029 1087296841 /nfs/dbraw/zinc/29/68/41/1087296841.db2.gz WXEHDGWZFGZOAT-ABHNRTSZSA-N 2 1 306.425 3.072 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168331043 1087297468 /nfs/dbraw/zinc/29/74/68/1087297468.db2.gz XCWOQGMAPUFWCG-DAWZGUTISA-N 2 1 317.477 3.106 20 0 DGADMP OC1([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)CCC1 ZINC001168363349 1087379105 /nfs/dbraw/zinc/37/91/05/1087379105.db2.gz YKWWCXXJICBGSL-LJQANCHMSA-N 2 1 314.473 3.107 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168365800 1087388359 /nfs/dbraw/zinc/38/83/59/1087388359.db2.gz XBOZVJWJBXQJMZ-IBGZPJMESA-N 2 1 315.461 3.005 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CCN(CC3CC3)CC2)CC1 ZINC001168368147 1087425228 /nfs/dbraw/zinc/42/52/28/1087425228.db2.gz AYXTZAPBTGNSDY-UAPYVXQJSA-N 2 1 319.537 3.375 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCC2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368147 1087425231 /nfs/dbraw/zinc/42/52/31/1087425231.db2.gz AYXTZAPBTGNSDY-UAPYVXQJSA-N 3 1 319.537 3.375 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368147 1087425234 /nfs/dbraw/zinc/42/52/34/1087425234.db2.gz AYXTZAPBTGNSDY-UAPYVXQJSA-N 3 1 319.537 3.375 20 0 DGADMP Cc1[nH+]c2c(Br)cc(C)cn2c1NC1=CC[NH2+]CC1 ZINC001159372454 1088323280 /nfs/dbraw/zinc/32/32/80/1088323280.db2.gz YFQUBBKTUNVTDU-UHFFFAOYSA-N 2 1 321.222 3.003 20 0 DGADMP Cc1c[nH]c2nc[nH+]c(NC3CC(C)(C)[NH+](C)C(C)(C)C3)c12 ZINC001159392169 1088331572 /nfs/dbraw/zinc/33/15/72/1088331572.db2.gz YQWYYCDSLWGSLE-UHFFFAOYSA-N 2 1 301.438 3.330 20 0 DGADMP Cn1ccc2c1nc[nH+]c2NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001159391783 1088331933 /nfs/dbraw/zinc/33/19/33/1088331933.db2.gz OFQWAPWAWVKKKA-UHFFFAOYSA-N 2 1 301.438 3.032 20 0 DGADMP c1ccc(C[N@@H+]2CC=C(Nc3cccc4c3C[NH2+]C4)CC2)cc1 ZINC001159767922 1088476905 /nfs/dbraw/zinc/47/69/05/1088476905.db2.gz UYNLGMHTZKRNGU-UHFFFAOYSA-N 2 1 305.425 3.492 20 0 DGADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159910741 1088543707 /nfs/dbraw/zinc/54/37/07/1088543707.db2.gz UJALSSJPYDIDCX-HPFMTEOYSA-N 2 1 323.525 3.092 20 0 DGADMP CC(C)c1ccc(NCc2ccccc2N2CC[NH2+]CC2)[nH+]c1 ZINC001160109689 1088643016 /nfs/dbraw/zinc/64/30/16/1088643016.db2.gz NIYZGDXGJUMKRU-UHFFFAOYSA-N 2 1 310.445 3.227 20 0 DGADMP c1cc2c(c(Nc3ccc4c[nH+]ccc4c3)c1)[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394356 1088778595 /nfs/dbraw/zinc/77/85/95/1088778595.db2.gz IDDAVCVJLDASRC-YJBOKZPZSA-N 2 1 303.365 3.426 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H](C[NH3+])C(C)(C)C)nc1 ZINC001160916700 1089017699 /nfs/dbraw/zinc/01/76/99/1089017699.db2.gz GHSZPUPCPYWVLM-HOTGVXAUSA-N 2 1 304.482 3.414 20 0 DGADMP Nc1cccc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)[nH+]1 ZINC001161180755 1089144200 /nfs/dbraw/zinc/14/42/00/1089144200.db2.gz GQJJRCMCFJSBPG-AWEZNQCLSA-N 2 1 302.809 3.004 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621834 1089190642 /nfs/dbraw/zinc/19/06/42/1089190642.db2.gz POTKGMGNHQQPSM-QZTJIDSGSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155621834 1089190654 /nfs/dbraw/zinc/19/06/54/1089190654.db2.gz POTKGMGNHQQPSM-QZTJIDSGSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155621834 1089190660 /nfs/dbraw/zinc/19/06/60/1089190660.db2.gz POTKGMGNHQQPSM-QZTJIDSGSA-N 2 1 323.525 3.042 20 0 DGADMP FC(F)(F)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001161629444 1089323244 /nfs/dbraw/zinc/32/32/44/1089323244.db2.gz APYZXWFBPQBIIH-GFCCVEGCSA-N 2 1 312.339 3.325 20 0 DGADMP C[NH+](C)Cc1cccc(CNc2ccc(C[N@@H+](C)C3CC3)cn2)c1 ZINC001156052619 1089367105 /nfs/dbraw/zinc/36/71/05/1089367105.db2.gz XMAQEGAWHASHNV-UHFFFAOYSA-N 2 1 324.472 3.350 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C2CC[NH2+]CC2)nc1 ZINC001156180529 1089424140 /nfs/dbraw/zinc/42/41/40/1089424140.db2.gz JKQSEVNSCFVUMC-GOSISDBHSA-N 2 1 316.493 3.207 20 0 DGADMP Cc1ccc2c(c1)nc(Cl)cc2NCC[NH+]1CCC([NH3+])CC1 ZINC001161867991 1089445246 /nfs/dbraw/zinc/44/52/46/1089445246.db2.gz ZOJACNUQHAGYCD-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP Cc1ccc2cc(Cl)nc(NCC[NH+]3CCC([NH3+])CC3)c2c1 ZINC001161870794 1089446007 /nfs/dbraw/zinc/44/60/07/1089446007.db2.gz OLHKTDZNZMWNDJ-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NCC[C@@H]1CCC[N@H+](C)C1 ZINC001156388440 1089500415 /nfs/dbraw/zinc/50/04/15/1089500415.db2.gz JNCAAZMVQUEYPQ-AWEZNQCLSA-N 2 1 301.438 3.156 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001156388440 1089500432 /nfs/dbraw/zinc/50/04/32/1089500432.db2.gz JNCAAZMVQUEYPQ-AWEZNQCLSA-N 2 1 301.438 3.156 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109759 1089827181 /nfs/dbraw/zinc/82/71/81/1089827181.db2.gz VAMWOGJKFBDDGV-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)([NH2+]CC[C@@H]1CC[NH2+]CC1(F)F)c1ccnc(Cl)c1 ZINC001162814148 1089971354 /nfs/dbraw/zinc/97/13/54/1089971354.db2.gz JUUJPMLBLODJCF-NSHDSACASA-N 2 1 317.811 3.195 20 0 DGADMP CCC[N@@H+](Cc1csc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236844473 1090071268 /nfs/dbraw/zinc/07/12/68/1090071268.db2.gz VFRHNPUXDOTKHW-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+](Cc1csc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236844473 1090071279 /nfs/dbraw/zinc/07/12/79/1090071279.db2.gz VFRHNPUXDOTKHW-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(N[C@H]3C[NH2+]Cc4ccsc43)cc2)C1 ZINC001163236663 1090129181 /nfs/dbraw/zinc/12/91/81/1090129181.db2.gz GNNAKKDILKBNFV-RDJZCZTQSA-N 2 1 313.470 3.424 20 0 DGADMP Cc1ccc2cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]cc2c1 ZINC001163273552 1090137255 /nfs/dbraw/zinc/13/72/55/1090137255.db2.gz ZMHRJHRFPMOXLU-HNAYVOBHSA-N 2 1 311.429 3.114 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(C(C)C)[C@H]2CC[NH2+]C2)nc1 ZINC001158035111 1090176822 /nfs/dbraw/zinc/17/68/22/1090176822.db2.gz PRFOYCQRHMWOAE-ROUUACIJSA-N 2 1 316.493 3.205 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CCC[NH+](C)C)nc1 ZINC001163600972 1090217564 /nfs/dbraw/zinc/21/75/64/1090217564.db2.gz WHEWQCJDSOIGDG-GOSISDBHSA-N 2 1 318.509 3.407 20 0 DGADMP C[N@H+]1CCN(c2cc(N3CCCC3)cc[nH+]2)[C@@H](c2ccccc2)C1 ZINC001163671260 1090229065 /nfs/dbraw/zinc/22/90/65/1090229065.db2.gz AQJLJHOEMHHXIU-LJQANCHMSA-N 2 1 322.456 3.175 20 0 DGADMP c1cc2cc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)c2[nH]1 ZINC001163914925 1090285662 /nfs/dbraw/zinc/28/56/62/1090285662.db2.gz LLCBLCDACITXNZ-UHFFFAOYSA-N 2 1 307.401 3.037 20 0 DGADMP Brc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237374233 1090303472 /nfs/dbraw/zinc/30/34/72/1090303472.db2.gz CRDAAGHMPDLTGM-ZBFHGGJFSA-N 2 1 323.278 3.066 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)CC[C@@H]2C[NH3+])nc1 ZINC001164078086 1090335502 /nfs/dbraw/zinc/33/55/02/1090335502.db2.gz MGYXOAVTLUIEQA-KBAYOESNSA-N 2 1 316.493 3.192 20 0 DGADMP C[NH+](C)C1(CNc2cccnc2-c2ccccc2)CC[NH+](C)CC1 ZINC001164212811 1090373347 /nfs/dbraw/zinc/37/33/47/1090373347.db2.gz DYMDAVOBVWIXLZ-UHFFFAOYSA-N 2 1 324.472 3.187 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C[NH3+])CC[C@@H]2C)nc1 ZINC001164473283 1090428479 /nfs/dbraw/zinc/42/84/79/1090428479.db2.gz DZEANRLQZHONNL-LZLYRXPVSA-N 2 1 316.493 3.192 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(N)cc[nH+]1 ZINC001165181537 1090475833 /nfs/dbraw/zinc/47/58/33/1090475833.db2.gz JHBQIEUDGQIYSF-QAPCUYQASA-N 2 1 310.445 3.011 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cccc(N)[nH+]1 ZINC001165184553 1090476471 /nfs/dbraw/zinc/47/64/71/1090476471.db2.gz WUPHYVBKOCFOMB-NVXWUHKLSA-N 2 1 310.445 3.011 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cccc(N)[nH+]1 ZINC001165184553 1090476473 /nfs/dbraw/zinc/47/64/73/1090476473.db2.gz WUPHYVBKOCFOMB-NVXWUHKLSA-N 2 1 310.445 3.011 20 0 DGADMP C[NH+]1CCCC[C@H]1c1ccc(NCC[C@H]2CCC[N@H+](C)C2)nc1 ZINC001165272951 1090494060 /nfs/dbraw/zinc/49/40/60/1090494060.db2.gz NIEFDJYRUXZRPP-AEFFLSMTSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@H](CCNc2ccc([C@@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001165272951 1090494061 /nfs/dbraw/zinc/49/40/61/1090494061.db2.gz NIEFDJYRUXZRPP-AEFFLSMTSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@H](CCNc2ccc([C@@H]3CCCC[N@H+]3C)cn2)C1 ZINC001165272951 1090494065 /nfs/dbraw/zinc/49/40/65/1090494065.db2.gz NIEFDJYRUXZRPP-AEFFLSMTSA-N 2 1 316.493 3.382 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(NCC[C@H]3CCC[NH+](C)C3)cc2)C1 ZINC001165300938 1090499789 /nfs/dbraw/zinc/49/97/89/1090499789.db2.gz VBNFCYAHGIVKKA-AEFFLSMTSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@H](c2ccc(NCC[C@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001165300938 1090499793 /nfs/dbraw/zinc/49/97/93/1090499793.db2.gz VBNFCYAHGIVKKA-AEFFLSMTSA-N 2 1 301.478 3.250 20 0 DGADMP C[NH+]1CC[C@H](c2ccc(NCC[C@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001165300938 1090499795 /nfs/dbraw/zinc/49/97/95/1090499795.db2.gz VBNFCYAHGIVKKA-AEFFLSMTSA-N 2 1 301.478 3.250 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001203306297 1090716782 /nfs/dbraw/zinc/71/67/82/1090716782.db2.gz OHHHIPVKEQAIEN-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001203306297 1090716784 /nfs/dbraw/zinc/71/67/84/1090716784.db2.gz OHHHIPVKEQAIEN-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001203306297 1090716786 /nfs/dbraw/zinc/71/67/86/1090716786.db2.gz OHHHIPVKEQAIEN-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001203306297 1090716788 /nfs/dbraw/zinc/71/67/88/1090716788.db2.gz OHHHIPVKEQAIEN-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1OC ZINC001203449466 1090737752 /nfs/dbraw/zinc/73/77/52/1090737752.db2.gz LGVLADKAQHKXLP-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N(CCCc1cccc(C(F)(F)F)c1)C2 ZINC001276425237 1090822991 /nfs/dbraw/zinc/82/29/91/1090822991.db2.gz SSTDQKMDXJVFHR-ZBFHGGJFSA-N 2 1 312.379 3.274 20 0 DGADMP C[N@H+]1C[C@H]2C[C@@H](C1)N(CCCc1cccc(C(F)(F)F)c1)C2 ZINC001276425237 1090822994 /nfs/dbraw/zinc/82/29/94/1090822994.db2.gz SSTDQKMDXJVFHR-ZBFHGGJFSA-N 2 1 312.379 3.274 20 0 DGADMP CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001486461797 1090846302 /nfs/dbraw/zinc/84/63/02/1090846302.db2.gz YEOPHZIDYUDYOF-DAWZGUTISA-N 2 1 323.525 3.019 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(O)cc4)C[C@@H]3C2)cc1 ZINC001204091671 1090900323 /nfs/dbraw/zinc/90/03/23/1090900323.db2.gz HCCTXVLMKRUVAU-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(O)cc4)C[C@@H]3C2)cc1 ZINC001204091671 1090900329 /nfs/dbraw/zinc/90/03/29/1090900329.db2.gz HCCTXVLMKRUVAU-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(O)cc4)C[C@@H]3C2)cc1 ZINC001204091671 1090900338 /nfs/dbraw/zinc/90/03/38/1090900338.db2.gz HCCTXVLMKRUVAU-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(O)cc4)C[C@@H]3C2)cc1 ZINC001204091671 1090900344 /nfs/dbraw/zinc/90/03/44/1090900344.db2.gz HCCTXVLMKRUVAU-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Oc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097186 1090902623 /nfs/dbraw/zinc/90/26/23/1090902623.db2.gz SUBOWBCJNURKRI-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097186 1090902628 /nfs/dbraw/zinc/90/26/28/1090902628.db2.gz SUBOWBCJNURKRI-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097186 1090902636 /nfs/dbraw/zinc/90/26/36/1090902636.db2.gz SUBOWBCJNURKRI-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097186 1090902642 /nfs/dbraw/zinc/90/26/42/1090902642.db2.gz SUBOWBCJNURKRI-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204097186 1090902650 /nfs/dbraw/zinc/90/26/50/1090902650.db2.gz SUBOWBCJNURKRI-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP COCC[N@H+](Cc1ccc(F)c(Cl)c1)C1CCN(C)CC1 ZINC001204283350 1090939220 /nfs/dbraw/zinc/93/92/20/1090939220.db2.gz RPPPJSUYOLXQCR-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CCN(C)CC1 ZINC001204283350 1090939225 /nfs/dbraw/zinc/93/92/25/1090939225.db2.gz RPPPJSUYOLXQCR-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC001276452047 1090942599 /nfs/dbraw/zinc/94/25/99/1090942599.db2.gz RCQAQPMYQQRHNE-FQEVSTJZSA-N 2 1 321.553 3.306 20 0 DGADMP CC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)C1CCCCC1 ZINC001204598720 1091004018 /nfs/dbraw/zinc/00/40/18/1091004018.db2.gz NXQAVYOSDAYEPC-UHFFFAOYSA-N 2 1 315.505 3.246 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001204735043 1091024940 /nfs/dbraw/zinc/02/49/40/1091024940.db2.gz KDGROTYYWOWTHD-UHFFFAOYSA-N 2 1 302.462 3.278 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204735585 1091025241 /nfs/dbraw/zinc/02/52/41/1091025241.db2.gz YUFRAHWHFUQOGV-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP Cc1c(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cccc1-c1ccccc1 ZINC001204756631 1091031723 /nfs/dbraw/zinc/03/17/23/1091031723.db2.gz QZVFJXPYDYONPJ-IBGZPJMESA-N 2 1 310.441 3.212 20 0 DGADMP Cc1cccc(C[N@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001204848054 1091046848 /nfs/dbraw/zinc/04/68/48/1091046848.db2.gz JTMYJRFTHWUHES-UHFFFAOYSA-N 2 1 309.457 3.037 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001205015725 1091084267 /nfs/dbraw/zinc/08/42/67/1091084267.db2.gz DLZANYHDBPYDEW-QGZVFWFLSA-N 2 1 320.477 3.190 20 0 DGADMP Cc1cccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1C ZINC001205089437 1091100331 /nfs/dbraw/zinc/10/03/31/1091100331.db2.gz PNEAAAWWFHMVKB-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1cccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1C ZINC001205089437 1091100334 /nfs/dbraw/zinc/10/03/34/1091100334.db2.gz PNEAAAWWFHMVKB-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001205093641 1091100807 /nfs/dbraw/zinc/10/08/07/1091100807.db2.gz CZHKWQVAQVAYET-CQSZACIVSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001205109088 1091104407 /nfs/dbraw/zinc/10/44/07/1091104407.db2.gz AOJPLETUQYVYHF-OAHLLOKOSA-N 2 1 316.836 3.110 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205110706 1091105826 /nfs/dbraw/zinc/10/58/26/1091105826.db2.gz YRGQCTNAQNOBBQ-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205110706 1091105828 /nfs/dbraw/zinc/10/58/28/1091105828.db2.gz YRGQCTNAQNOBBQ-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Br)CC1 ZINC001205116495 1091106518 /nfs/dbraw/zinc/10/65/18/1091106518.db2.gz ALOLLUKYDLPSCT-GFCCVEGCSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Br)CC1 ZINC001205116495 1091106520 /nfs/dbraw/zinc/10/65/20/1091106520.db2.gz ALOLLUKYDLPSCT-GFCCVEGCSA-N 2 1 322.250 3.244 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(C)cc1Br ZINC001205124342 1091108248 /nfs/dbraw/zinc/10/82/48/1091108248.db2.gz OPPWUCGHAKXKGO-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)cc1Br ZINC001205124342 1091108250 /nfs/dbraw/zinc/10/82/50/1091108250.db2.gz OPPWUCGHAKXKGO-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC001205150719 1091113586 /nfs/dbraw/zinc/11/35/86/1091113586.db2.gz IOSDPZMSVPYWJF-GXTWGEPZSA-N 2 1 311.267 3.093 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC001205150719 1091113595 /nfs/dbraw/zinc/11/35/95/1091113595.db2.gz IOSDPZMSVPYWJF-GXTWGEPZSA-N 2 1 311.267 3.093 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc3c4ccccc4oc32)CC1 ZINC001205230683 1091140433 /nfs/dbraw/zinc/14/04/33/1091140433.db2.gz TWBICGFCFLCZML-HXUWFJFHSA-N 2 1 324.424 3.262 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264793 1091154545 /nfs/dbraw/zinc/15/45/45/1091154545.db2.gz MOJCMNSPDHCTMA-IBGZPJMESA-N 2 1 312.461 3.192 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1OCC1CC1 ZINC001205274101 1091160030 /nfs/dbraw/zinc/16/00/30/1091160030.db2.gz UBLFHBWMYGFJIF-IBGZPJMESA-N 2 1 318.461 3.187 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274393 1091160447 /nfs/dbraw/zinc/16/04/47/1091160447.db2.gz WXZXXWVAGGJLQJ-CQSZACIVSA-N 2 1 301.356 3.112 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205281004 1091163520 /nfs/dbraw/zinc/16/35/20/1091163520.db2.gz NYQRYQPMSYYVPQ-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205281004 1091163527 /nfs/dbraw/zinc/16/35/27/1091163527.db2.gz NYQRYQPMSYYVPQ-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1C(F)(F)F ZINC001205281660 1091163688 /nfs/dbraw/zinc/16/36/88/1091163688.db2.gz XFZYALJVSMVKDU-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305104 1091177494 /nfs/dbraw/zinc/17/74/94/1091177494.db2.gz RAPKAIGSVMDDIP-YPMHNXCESA-N 2 1 316.367 3.131 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305104 1091177499 /nfs/dbraw/zinc/17/74/99/1091177499.db2.gz RAPKAIGSVMDDIP-YPMHNXCESA-N 2 1 316.367 3.131 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC001205315865 1091180427 /nfs/dbraw/zinc/18/04/27/1091180427.db2.gz HWAWXDPTIHCYOB-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC001205315865 1091180432 /nfs/dbraw/zinc/18/04/32/1091180432.db2.gz HWAWXDPTIHCYOB-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205316488 1091180904 /nfs/dbraw/zinc/18/09/04/1091180904.db2.gz KBKRGEHZCXHMAE-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205316488 1091180912 /nfs/dbraw/zinc/18/09/12/1091180912.db2.gz KBKRGEHZCXHMAE-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC001205316898 1091181980 /nfs/dbraw/zinc/18/19/80/1091181980.db2.gz MAROMHXLMLMQOD-VXGBXAGGSA-N 2 1 319.836 3.011 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001205405108 1091213751 /nfs/dbraw/zinc/21/37/51/1091213751.db2.gz CUICUOQTDSRPAI-ROUUACIJSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001205405108 1091213756 /nfs/dbraw/zinc/21/37/56/1091213756.db2.gz CUICUOQTDSRPAI-ROUUACIJSA-N 2 1 304.478 3.017 20 0 DGADMP CN1CCC([N@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC001138528882 1091218052 /nfs/dbraw/zinc/21/80/52/1091218052.db2.gz KUOUJUSVLDDSLZ-UHFFFAOYSA-N 2 1 301.459 3.336 20 0 DGADMP CN1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC001138528882 1091218058 /nfs/dbraw/zinc/21/80/58/1091218058.db2.gz KUOUJUSVLDDSLZ-UHFFFAOYSA-N 2 1 301.459 3.336 20 0 DGADMP CC[C@@H](CO)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001205435249 1091221468 /nfs/dbraw/zinc/22/14/68/1091221468.db2.gz ZXBMUMHGMHIPHZ-AZUAARDMSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)cc1 ZINC001138542095 1091222604 /nfs/dbraw/zinc/22/26/04/1091222604.db2.gz ACGXUEXQHTXAKV-HNAYVOBHSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)cc1 ZINC001138542095 1091222613 /nfs/dbraw/zinc/22/26/13/1091222613.db2.gz ACGXUEXQHTXAKV-HNAYVOBHSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1nccn1-c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001138548548 1091224380 /nfs/dbraw/zinc/22/43/80/1091224380.db2.gz HUCYRKALQCWKJA-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001138548548 1091224389 /nfs/dbraw/zinc/22/43/89/1091224389.db2.gz HUCYRKALQCWKJA-UHFFFAOYSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001138548548 1091224400 /nfs/dbraw/zinc/22/44/00/1091224400.db2.gz HUCYRKALQCWKJA-UHFFFAOYSA-N 3 1 324.472 3.098 20 0 DGADMP CC[NH+](CC)[C@H]1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138549269 1091225097 /nfs/dbraw/zinc/22/50/97/1091225097.db2.gz UJCDHQGXKWZVSV-IBGZPJMESA-N 2 1 312.461 3.097 20 0 DGADMP CCCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547535 1091225162 /nfs/dbraw/zinc/22/51/62/1091225162.db2.gz OODLLQVDTKBSKF-UHFFFAOYSA-N 2 1 312.461 3.098 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001205545329 1091247883 /nfs/dbraw/zinc/24/78/83/1091247883.db2.gz DIEUKAFBOVRLSA-KRWDZBQOSA-N 2 1 321.371 3.134 20 0 DGADMP CCc1cccc2c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c[nH]c21 ZINC001205559041 1091252909 /nfs/dbraw/zinc/25/29/09/1091252909.db2.gz NFZGYRWWQBPVOJ-SFHVURJKSA-N 2 1 303.425 3.383 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cc21 ZINC001205559126 1091253135 /nfs/dbraw/zinc/25/31/35/1091253135.db2.gz OBJPGGWOVDFKBC-SFHVURJKSA-N 2 1 303.425 3.314 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205559044 1091253745 /nfs/dbraw/zinc/25/37/45/1091253745.db2.gz NHTFRNPKHKJLOS-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559742 1091254120 /nfs/dbraw/zinc/25/41/20/1091254120.db2.gz UHUZREYNPAFEDZ-MRXNPFEDSA-N 2 1 314.832 3.392 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138615676 1091257460 /nfs/dbraw/zinc/25/74/60/1091257460.db2.gz QKIALOVZINRBTA-OALUTQOASA-N 2 1 313.489 3.060 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc2n1 ZINC001205570567 1091259778 /nfs/dbraw/zinc/25/97/78/1091259778.db2.gz LXQZNBBCHOUZBM-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205581349 1091264600 /nfs/dbraw/zinc/26/46/00/1091264600.db2.gz SSCVYEIZIFWMGB-HNNXBMFYSA-N 2 1 320.330 3.080 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1SC ZINC001205591314 1091269609 /nfs/dbraw/zinc/26/96/09/1091269609.db2.gz KFLRXTWBHRVVEU-INIZCTEOSA-N 2 1 312.454 3.070 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001205591212 1091269736 /nfs/dbraw/zinc/26/97/36/1091269736.db2.gz HJARZZCJVLJJSD-KRWDZBQOSA-N 2 1 321.371 3.134 20 0 DGADMP CCn1nc(C)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001138646423 1091272304 /nfs/dbraw/zinc/27/23/04/1091272304.db2.gz MZEPPDGNKPARKH-ROUUACIJSA-N 2 1 318.509 3.359 20 0 DGADMP CCn1nc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001138646423 1091272309 /nfs/dbraw/zinc/27/23/09/1091272309.db2.gz MZEPPDGNKPARKH-ROUUACIJSA-N 2 1 318.509 3.359 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cc2)C1 ZINC001205599659 1091274197 /nfs/dbraw/zinc/27/41/97/1091274197.db2.gz BUGYKLDSJNQYSX-HXUWFJFHSA-N 2 1 321.468 3.182 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)s2)CC[C@@H]1C[NH3+] ZINC001205616203 1091281717 /nfs/dbraw/zinc/28/17/17/1091281717.db2.gz DKLZCTBSUQCMLY-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205626651 1091285436 /nfs/dbraw/zinc/28/54/36/1091285436.db2.gz HRDWYCLXUBPUIR-DGCLKSJQSA-N 2 1 316.367 3.218 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc3cccnc3cc2F)CC[C@@H]1C[NH3+] ZINC001205626869 1091287043 /nfs/dbraw/zinc/28/70/43/1091287043.db2.gz JZEFAQJGTMUGOV-DZGCQCFKSA-N 2 1 301.409 3.181 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205636570 1091290606 /nfs/dbraw/zinc/29/06/06/1091290606.db2.gz DNHFFFPOEGQKNL-JKSUJKDBSA-N 2 1 320.477 3.289 20 0 DGADMP COc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c2ccccc21 ZINC001205639027 1091292271 /nfs/dbraw/zinc/29/22/71/1091292271.db2.gz UZUMKDVEGBMEAR-LSDHHAIUSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CC[C@H]1C[NH3+] ZINC001205651141 1091296600 /nfs/dbraw/zinc/29/66/00/1091296600.db2.gz AOFGJQARLSPOJX-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC[C@@H]1C[NH3+] ZINC001205652989 1091298914 /nfs/dbraw/zinc/29/89/14/1091298914.db2.gz RSNYYDHRTKDLAT-DOTOQJQBSA-N 2 1 319.468 3.233 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1SC ZINC001205653904 1091299052 /nfs/dbraw/zinc/29/90/52/1091299052.db2.gz VTMFNYZOHLQSEE-HIFRSBDPSA-N 2 1 308.491 3.224 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205655307 1091299152 /nfs/dbraw/zinc/29/91/52/1091299152.db2.gz ZDVRVIQSGDRRLS-CHWSQXEVSA-N 2 1 320.868 3.034 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205688580 1091314946 /nfs/dbraw/zinc/31/49/46/1091314946.db2.gz JFWVCTCDXGDNPN-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP c1nocc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001205696630 1091317358 /nfs/dbraw/zinc/31/73/58/1091317358.db2.gz DDFVVQRRZGLTHL-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205726254 1091323166 /nfs/dbraw/zinc/32/31/66/1091323166.db2.gz RYEXXQDCMDUMLC-INIZCTEOSA-N 2 1 322.499 3.152 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001138769745 1091323592 /nfs/dbraw/zinc/32/35/92/1091323592.db2.gz YQKNVZPEBWGBKV-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP CCc1cccc2c(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001205769244 1091339330 /nfs/dbraw/zinc/33/93/30/1091339330.db2.gz IHHTXRGUEBXDOH-AWEZNQCLSA-N 2 1 307.388 3.146 20 0 DGADMP CCc1cccc2c(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001205769244 1091339339 /nfs/dbraw/zinc/33/93/39/1091339339.db2.gz IHHTXRGUEBXDOH-AWEZNQCLSA-N 2 1 307.388 3.146 20 0 DGADMP CCCCOc1cccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)c1 ZINC001138958050 1091392075 /nfs/dbraw/zinc/39/20/75/1091392075.db2.gz SMZBGOKRHIYPAR-ROUUACIJSA-N 2 1 302.462 3.249 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902498 1091400276 /nfs/dbraw/zinc/40/02/76/1091400276.db2.gz JXUPDSYNECFKSO-PWSUYJOCSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902498 1091400282 /nfs/dbraw/zinc/40/02/82/1091400282.db2.gz JXUPDSYNECFKSO-PWSUYJOCSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904669 1091401519 /nfs/dbraw/zinc/40/15/19/1091401519.db2.gz WHZZPWOLDIYFRR-DOTOQJQBSA-N 2 1 311.429 3.433 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904669 1091401530 /nfs/dbraw/zinc/40/15/30/1091401530.db2.gz WHZZPWOLDIYFRR-DOTOQJQBSA-N 2 1 311.429 3.433 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001205904654 1091401805 /nfs/dbraw/zinc/40/18/05/1091401805.db2.gz WELGKNIMMJJGRD-GJZGRUSLSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccn1-c1ccccc1F ZINC001205904654 1091401814 /nfs/dbraw/zinc/40/18/14/1091401814.db2.gz WELGKNIMMJJGRD-GJZGRUSLSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001205903682 1091402009 /nfs/dbraw/zinc/40/20/09/1091402009.db2.gz QSADJVDWEYVNJD-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205912783 1091407056 /nfs/dbraw/zinc/40/70/56/1091407056.db2.gz CIDBJSQZXHNYTP-GDBMZVCRSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205914744 1091409891 /nfs/dbraw/zinc/40/98/91/1091409891.db2.gz NEZCBRSWQBQMGN-GOEBONIOSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCN(c3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205985301 1091436077 /nfs/dbraw/zinc/43/60/77/1091436077.db2.gz WXBCAKZOIJTHOX-MJGOQNOKSA-N 2 1 315.505 3.210 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001139069634 1091437709 /nfs/dbraw/zinc/43/77/09/1091437709.db2.gz SDQSAMHDHHBMGO-KDURUIRLSA-N 2 1 310.416 3.486 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001139069634 1091437714 /nfs/dbraw/zinc/43/77/14/1091437714.db2.gz SDQSAMHDHHBMGO-KDURUIRLSA-N 2 1 310.416 3.486 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001139069634 1091437718 /nfs/dbraw/zinc/43/77/18/1091437718.db2.gz SDQSAMHDHHBMGO-KDURUIRLSA-N 2 1 310.416 3.486 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205994442 1091442095 /nfs/dbraw/zinc/44/20/95/1091442095.db2.gz LRANGQBPOUQOOC-ZBFHGGJFSA-N 2 1 313.445 3.050 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205994330 1091442159 /nfs/dbraw/zinc/44/21/59/1091442159.db2.gz KUUMTQWBRLWPAQ-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC001205995455 1091442194 /nfs/dbraw/zinc/44/21/94/1091442194.db2.gz OGSHDAGAWFPGFB-ZBFHGGJFSA-N 2 1 313.445 3.108 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004457 1091445808 /nfs/dbraw/zinc/44/58/08/1091445808.db2.gz SMTXHCWMHVBUDF-PBHICJAKSA-N 2 1 313.445 3.457 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(CC)c1O ZINC001206011544 1091449495 /nfs/dbraw/zinc/44/94/95/1091449495.db2.gz DOSXOCDSMDUWSN-RDTXWAMCSA-N 2 1 304.478 3.324 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CCC[C@H]1C[NH3+] ZINC001206012331 1091449855 /nfs/dbraw/zinc/44/98/55/1091449855.db2.gz KPZQBCAUNPQLQP-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206012771 1091450161 /nfs/dbraw/zinc/45/01/61/1091450161.db2.gz NRHPHKFYTNJYKA-RYUDHWBXSA-N 2 1 316.367 3.218 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(Cl)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011382 1091450170 /nfs/dbraw/zinc/45/01/70/1091450170.db2.gz CBQLTBGHRIOMOK-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012083 1091450236 /nfs/dbraw/zinc/45/02/36/1091450236.db2.gz ITARYGKPKRJSEI-WCQYABFASA-N 2 1 314.832 3.295 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206015026 1091452225 /nfs/dbraw/zinc/45/22/25/1091452225.db2.gz ZODZREBTEMFZCD-OCCSQVGLSA-N 2 1 312.404 3.170 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001206014863 1091452323 /nfs/dbraw/zinc/45/23/23/1091452323.db2.gz YHJILIPKLVXENH-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CCC[C@H]1C[NH3+] ZINC001206024355 1091455833 /nfs/dbraw/zinc/45/58/33/1091455833.db2.gz ISRFWNZJZBODHD-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1C(F)F ZINC001206024540 1091455938 /nfs/dbraw/zinc/45/59/38/1091455938.db2.gz JYGUSJGUPRJWPF-TZMCWYRMSA-N 2 1 312.404 3.440 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CCC[C@@H]1C[NH3+] ZINC001206028783 1091456996 /nfs/dbraw/zinc/45/69/96/1091456996.db2.gz ZCFPSYALOOGXHP-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CCC[C@H]1C[NH3+] ZINC001206028776 1091457568 /nfs/dbraw/zinc/45/75/68/1091457568.db2.gz ZCFPSYALOOGXHP-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1F ZINC001206037502 1091463123 /nfs/dbraw/zinc/46/31/23/1091463123.db2.gz VTRKFHRIISLILD-ZBFHGGJFSA-N 2 1 308.441 3.420 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c2ccccc12 ZINC001206156247 1091512807 /nfs/dbraw/zinc/51/28/07/1091512807.db2.gz PHIJKUCFGRAWSJ-IRXDYDNUSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206156247 1091512816 /nfs/dbraw/zinc/51/28/16/1091512816.db2.gz PHIJKUCFGRAWSJ-IRXDYDNUSA-N 2 1 302.393 3.110 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(OC(F)(F)F)c1 ZINC001206185244 1091524420 /nfs/dbraw/zinc/52/44/20/1091524420.db2.gz MEANBCDMMRTSLA-UONOGXRCSA-N 2 1 320.330 3.155 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cscc1Br)CC2 ZINC001139349457 1091530271 /nfs/dbraw/zinc/53/02/71/1091530271.db2.gz ARBBAHIOZRCMQX-UHFFFAOYSA-N 2 1 315.280 3.038 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1Cc2ccccc2O1 ZINC001139363817 1091536752 /nfs/dbraw/zinc/53/67/52/1091536752.db2.gz KHGJXKUXVXMNBM-IBGZPJMESA-N 2 1 319.408 3.308 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)s2)cc1 ZINC001206277027 1091559658 /nfs/dbraw/zinc/55/96/58/1091559658.db2.gz LXWWNMWVGCJIJU-AWEZNQCLSA-N 2 1 316.470 3.465 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)s2)cc1 ZINC001206277027 1091559666 /nfs/dbraw/zinc/55/96/66/1091559666.db2.gz LXWWNMWVGCJIJU-AWEZNQCLSA-N 2 1 316.470 3.465 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206286413 1091563278 /nfs/dbraw/zinc/56/32/78/1091563278.db2.gz UNGFAQMOIUUBQS-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206286413 1091563288 /nfs/dbraw/zinc/56/32/88/1091563288.db2.gz UNGFAQMOIUUBQS-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[NH+]1CCCC1 ZINC001206303117 1091569165 /nfs/dbraw/zinc/56/91/65/1091569165.db2.gz XAHXKAKLZXWCDN-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001206304250 1091570062 /nfs/dbraw/zinc/57/00/62/1091570062.db2.gz IHUWFQLCRVBEOB-INIZCTEOSA-N 2 1 306.841 3.119 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001206303112 1091570172 /nfs/dbraw/zinc/57/01/72/1091570172.db2.gz BFXRTVYRHZBBME-MRXNPFEDSA-N 2 1 316.367 3.378 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206305210 1091571627 /nfs/dbraw/zinc/57/16/27/1091571627.db2.gz WCQCUQNZTGECMO-LJQANCHMSA-N 2 1 312.461 3.336 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC001206318620 1091576810 /nfs/dbraw/zinc/57/68/10/1091576810.db2.gz SASOZFUQXWCMBH-AWEZNQCLSA-N 2 1 302.249 3.339 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506041 1091581104 /nfs/dbraw/zinc/58/11/04/1091581104.db2.gz YRTJBCGPJXYGEB-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506041 1091581117 /nfs/dbraw/zinc/58/11/17/1091581117.db2.gz YRTJBCGPJXYGEB-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506041 1091581125 /nfs/dbraw/zinc/58/11/25/1091581125.db2.gz YRTJBCGPJXYGEB-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506041 1091581136 /nfs/dbraw/zinc/58/11/36/1091581136.db2.gz YRTJBCGPJXYGEB-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506041 1091581150 /nfs/dbraw/zinc/58/11/50/1091581150.db2.gz YRTJBCGPJXYGEB-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP CCc1cccc2c(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344293 1091587111 /nfs/dbraw/zinc/58/71/11/1091587111.db2.gz QOWXUHFNMIYOMK-GOSISDBHSA-N 2 1 303.425 3.383 20 0 DGADMP CCc1cccc2c(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344293 1091587121 /nfs/dbraw/zinc/58/71/21/1091587121.db2.gz QOWXUHFNMIYOMK-GOSISDBHSA-N 2 1 303.425 3.383 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206351371 1091591514 /nfs/dbraw/zinc/59/15/14/1091591514.db2.gz BYSPHWBTKNDGSI-GOSISDBHSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206351371 1091591524 /nfs/dbraw/zinc/59/15/24/1091591524.db2.gz BYSPHWBTKNDGSI-GOSISDBHSA-N 2 1 302.393 3.198 20 0 DGADMP CCn1ccc2ccc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)cc21 ZINC001206351993 1091591642 /nfs/dbraw/zinc/59/16/42/1091591642.db2.gz LRSGDSRINFGFSR-SFHVURJKSA-N 2 1 303.425 3.314 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)cc21 ZINC001206351993 1091591650 /nfs/dbraw/zinc/59/16/50/1091591650.db2.gz LRSGDSRINFGFSR-SFHVURJKSA-N 2 1 303.425 3.314 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001206352454 1091592788 /nfs/dbraw/zinc/59/27/88/1091592788.db2.gz XUQRYYYSSQCOQH-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001206352454 1091592796 /nfs/dbraw/zinc/59/27/96/1091592796.db2.gz XUQRYYYSSQCOQH-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP CC(C)(C)c1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)c1 ZINC001206469518 1091641264 /nfs/dbraw/zinc/64/12/64/1091641264.db2.gz QTHANRVLSUPPMS-MAUKXSAKSA-N 2 1 318.505 3.033 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)c1 ZINC001206469518 1091641267 /nfs/dbraw/zinc/64/12/67/1091641267.db2.gz QTHANRVLSUPPMS-MAUKXSAKSA-N 2 1 318.505 3.033 20 0 DGADMP CCOc1c(F)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1Cl ZINC001206500756 1091650962 /nfs/dbraw/zinc/65/09/62/1091650962.db2.gz RCSWKWMCHZAYME-UHFFFAOYSA-N 2 1 314.832 3.439 20 0 DGADMP [NH3+]CCC1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001206500798 1091651182 /nfs/dbraw/zinc/65/11/82/1091651182.db2.gz RTCYCGSJZKDPEB-HXUWFJFHSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]CCC1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001206500798 1091651187 /nfs/dbraw/zinc/65/11/87/1091651187.db2.gz RTCYCGSJZKDPEB-HXUWFJFHSA-N 2 1 315.505 3.102 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc3cccnc3c2)CC1 ZINC001139740551 1091660077 /nfs/dbraw/zinc/66/00/77/1091660077.db2.gz CUOCCAFQPLTPGF-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccccc2Br)C1 ZINC001206541186 1091661818 /nfs/dbraw/zinc/66/18/18/1091661818.db2.gz FRVWXTJEINEYEY-HNNXBMFYSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2Br)C1 ZINC001206541186 1091661821 /nfs/dbraw/zinc/66/18/21/1091661821.db2.gz FRVWXTJEINEYEY-HNNXBMFYSA-N 2 1 311.267 3.400 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001139742348 1091661878 /nfs/dbraw/zinc/66/18/78/1091661878.db2.gz XLCHLHOBTXQTMO-GOSISDBHSA-N 2 1 324.472 3.470 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001139742348 1091661879 /nfs/dbraw/zinc/66/18/79/1091661879.db2.gz XLCHLHOBTXQTMO-GOSISDBHSA-N 2 1 324.472 3.470 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001206550066 1091665283 /nfs/dbraw/zinc/66/52/83/1091665283.db2.gz UQLYZRHWOVTIQD-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001206550066 1091665289 /nfs/dbraw/zinc/66/52/89/1091665289.db2.gz UQLYZRHWOVTIQD-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC001206550302 1091665373 /nfs/dbraw/zinc/66/53/73/1091665373.db2.gz ZTLBXGWPOCEMAS-QGZVFWFLSA-N 2 1 312.404 3.281 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001206550011 1091665494 /nfs/dbraw/zinc/66/54/94/1091665494.db2.gz TUFNVIOHKHPTGP-MRXNPFEDSA-N 2 1 306.841 3.119 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001206550011 1091665497 /nfs/dbraw/zinc/66/54/97/1091665497.db2.gz TUFNVIOHKHPTGP-MRXNPFEDSA-N 2 1 306.841 3.119 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001206572083 1091673573 /nfs/dbraw/zinc/67/35/73/1091673573.db2.gz AOGQLBQXEJWBPU-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N3CCCCC3)n2)C1 ZINC001206575788 1091674855 /nfs/dbraw/zinc/67/48/55/1091674855.db2.gz YSMDJLUFUMMLPY-LJQANCHMSA-N 2 1 316.493 3.023 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206592269 1091681385 /nfs/dbraw/zinc/68/13/85/1091681385.db2.gz ZZHUMNFYZCPDAH-SFHVURJKSA-N 2 1 318.461 3.216 20 0 DGADMP CC(C)[N@H+](Cc1cc2c(cc1Cl)OCO2)[C@H]1CCC[NH2+]CC1 ZINC001206590002 1091681730 /nfs/dbraw/zinc/68/17/30/1091681730.db2.gz KFDYRKOFWILWIQ-AWEZNQCLSA-N 2 1 324.852 3.421 20 0 DGADMP CC(C)[N@@H+](Cc1cc2c(cc1Cl)OCO2)[C@H]1CCC[NH2+]CC1 ZINC001206590002 1091681733 /nfs/dbraw/zinc/68/17/33/1091681733.db2.gz KFDYRKOFWILWIQ-AWEZNQCLSA-N 2 1 324.852 3.421 20 0 DGADMP CCOC(=O)c1ccccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599712 1091684373 /nfs/dbraw/zinc/68/43/73/1091684373.db2.gz VZCCFFDGVYGNKB-KRWDZBQOSA-N 2 1 318.461 3.216 20 0 DGADMP CCOC(=O)c1ccccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599712 1091684378 /nfs/dbraw/zinc/68/43/78/1091684378.db2.gz VZCCFFDGVYGNKB-KRWDZBQOSA-N 2 1 318.461 3.216 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206616821 1091690458 /nfs/dbraw/zinc/69/04/58/1091690458.db2.gz QUWYWRXXZMKAMK-LLVKDONJSA-N 2 1 304.331 3.405 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206616821 1091690464 /nfs/dbraw/zinc/69/04/64/1091690464.db2.gz QUWYWRXXZMKAMK-LLVKDONJSA-N 2 1 304.331 3.405 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206615925 1091690632 /nfs/dbraw/zinc/69/06/32/1091690632.db2.gz KLHPMHIUOZRJKW-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206615925 1091690636 /nfs/dbraw/zinc/69/06/36/1091690636.db2.gz KLHPMHIUOZRJKW-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1OCC1CC1 ZINC001206624257 1091692861 /nfs/dbraw/zinc/69/28/61/1091692861.db2.gz SCNSFQGOAIISQG-KRWDZBQOSA-N 2 1 318.461 3.045 20 0 DGADMP Nc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)n1 ZINC001276491468 1091704423 /nfs/dbraw/zinc/70/44/23/1091704423.db2.gz DSWWZJQADXXTHT-RBUKOAKNSA-N 2 1 314.477 3.131 20 0 DGADMP COC(=O)C1(C)CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168768668 1091711862 /nfs/dbraw/zinc/71/18/62/1091711862.db2.gz VUHYBNAZDQIBPR-PUSDAICGSA-N 2 1 310.482 3.089 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(cnn3C)c2)CC1 ZINC001139953599 1091723059 /nfs/dbraw/zinc/72/30/59/1091723059.db2.gz QKEYSUVXVHDGHB-UHFFFAOYSA-N 2 1 314.477 3.270 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCc1cccc(Br)c1 ZINC001206760945 1091728914 /nfs/dbraw/zinc/72/89/14/1091728914.db2.gz PAVWGHNWMUZSBP-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1cccc(Br)c1 ZINC001206760945 1091728918 /nfs/dbraw/zinc/72/89/18/1091728918.db2.gz PAVWGHNWMUZSBP-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206768117 1091731809 /nfs/dbraw/zinc/73/18/09/1091731809.db2.gz HISVJTRGEGETQD-CHWSQXEVSA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206768117 1091731814 /nfs/dbraw/zinc/73/18/14/1091731814.db2.gz HISVJTRGEGETQD-CHWSQXEVSA-N 2 1 324.852 3.076 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769772 1091734142 /nfs/dbraw/zinc/73/41/42/1091734142.db2.gz QFTKBJRVDOAYDG-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769772 1091734149 /nfs/dbraw/zinc/73/41/49/1091734149.db2.gz QFTKBJRVDOAYDG-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1C(F)(F)F ZINC001206769781 1091734183 /nfs/dbraw/zinc/73/41/83/1091734183.db2.gz QGHRFXDPXZAYDW-WCQYABFASA-N 2 1 316.367 3.273 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cc4ccccc4cn3)CC2)cc[nH+]1 ZINC001140000596 1091735808 /nfs/dbraw/zinc/73/58/08/1091735808.db2.gz KWUVWSKGKRMZEI-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCc1cccnc1 ZINC001140028072 1091744739 /nfs/dbraw/zinc/74/47/39/1091744739.db2.gz JBZPNKFMBRFJTH-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCc1cccnc1 ZINC001140028072 1091744743 /nfs/dbraw/zinc/74/47/43/1091744743.db2.gz JBZPNKFMBRFJTH-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP O[C@]1(C(F)(F)F)CCCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206810583 1091749785 /nfs/dbraw/zinc/74/97/85/1091749785.db2.gz OQBYOWVTCBSWHA-OAHLLOKOSA-N 2 1 322.415 3.078 20 0 DGADMP O[C@]1(C(F)(F)F)CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206810583 1091749793 /nfs/dbraw/zinc/74/97/93/1091749793.db2.gz OQBYOWVTCBSWHA-OAHLLOKOSA-N 2 1 322.415 3.078 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206811837 1091751557 /nfs/dbraw/zinc/75/15/57/1091751557.db2.gz WKQIGMACIWBBLC-WBVHZDCISA-N 2 1 320.477 3.317 20 0 DGADMP C[N@H+]1CCC[C@H](CN2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498216 1091771715 /nfs/dbraw/zinc/77/17/15/1091771715.db2.gz SUWRQINOAOBGJI-ICSRJNTNSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001276498216 1091771720 /nfs/dbraw/zinc/77/17/20/1091771720.db2.gz SUWRQINOAOBGJI-ICSRJNTNSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)C1 ZINC001276498216 1091771726 /nfs/dbraw/zinc/77/17/26/1091771726.db2.gz SUWRQINOAOBGJI-ICSRJNTNSA-N 2 1 319.537 3.059 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140318952 1091824449 /nfs/dbraw/zinc/82/44/49/1091824449.db2.gz QTSJQQDRGWRFEZ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140318952 1091824454 /nfs/dbraw/zinc/82/44/54/1091824454.db2.gz QTSJQQDRGWRFEZ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140318952 1091824461 /nfs/dbraw/zinc/82/44/61/1091824461.db2.gz QTSJQQDRGWRFEZ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2n[nH]cc2c1 ZINC001140388028 1091848703 /nfs/dbraw/zinc/84/87/03/1091848703.db2.gz FXKKUTKTUUFCRW-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2n[nH]cc2c1 ZINC001140388028 1091848705 /nfs/dbraw/zinc/84/87/05/1091848705.db2.gz FXKKUTKTUUFCRW-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2n[nH]cc2c1 ZINC001140388028 1091848708 /nfs/dbraw/zinc/84/87/08/1091848708.db2.gz FXKKUTKTUUFCRW-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+](Cc1c(F)cccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC001207112205 1091849989 /nfs/dbraw/zinc/84/99/89/1091849989.db2.gz HSDFERIDMOLVDY-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001203032137 1091850116 /nfs/dbraw/zinc/85/01/16/1091850116.db2.gz NRHLDAQRRSEWOH-QUCCMNQESA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001203032137 1091850123 /nfs/dbraw/zinc/85/01/23/1091850123.db2.gz NRHLDAQRRSEWOH-QUCCMNQESA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001203032137 1091850134 /nfs/dbraw/zinc/85/01/34/1091850134.db2.gz NRHLDAQRRSEWOH-QUCCMNQESA-N 2 1 317.521 3.074 20 0 DGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193128 1091883134 /nfs/dbraw/zinc/88/31/34/1091883134.db2.gz RSBGUBVBGOAYPK-HOCLYGCPSA-N 2 1 301.821 3.198 20 0 DGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193128 1091883138 /nfs/dbraw/zinc/88/31/38/1091883138.db2.gz RSBGUBVBGOAYPK-HOCLYGCPSA-N 2 1 301.821 3.198 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207285921 1091912746 /nfs/dbraw/zinc/91/27/46/1091912746.db2.gz QNOSDSBZVMXEGX-SFHVURJKSA-N 2 1 320.477 3.126 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207285921 1091912749 /nfs/dbraw/zinc/91/27/49/1091912749.db2.gz QNOSDSBZVMXEGX-SFHVURJKSA-N 2 1 320.477 3.126 20 0 DGADMP CCO[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290846 1091914409 /nfs/dbraw/zinc/91/44/09/1091914409.db2.gz HLNFOVMDBPKBEL-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC001207360405 1091937530 /nfs/dbraw/zinc/93/75/30/1091937530.db2.gz YUPASNDOHBTEHF-MRXNPFEDSA-N 2 1 317.477 3.134 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001207401716 1091954998 /nfs/dbraw/zinc/95/49/98/1091954998.db2.gz RZOLHISIVTVBJF-GOSISDBHSA-N 2 1 320.502 3.127 20 0 DGADMP COc1cccc(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001207434738 1091968347 /nfs/dbraw/zinc/96/83/47/1091968347.db2.gz VNMVRQMDDLWAIL-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207438722 1091969698 /nfs/dbraw/zinc/96/96/98/1091969698.db2.gz FOIFTMAWHOVGNU-QGZVFWFLSA-N 2 1 308.853 3.183 20 0 DGADMP Cc1cc(Br)ccc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001140815519 1092016702 /nfs/dbraw/zinc/01/67/02/1092016702.db2.gz CFQXUENOKGQNNH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)ccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001140815519 1092016713 /nfs/dbraw/zinc/01/67/13/1092016713.db2.gz CFQXUENOKGQNNH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)ccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001140815519 1092016721 /nfs/dbraw/zinc/01/67/21/1092016721.db2.gz CFQXUENOKGQNNH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140815519 1092016732 /nfs/dbraw/zinc/01/67/32/1092016732.db2.gz CFQXUENOKGQNNH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140815519 1092016739 /nfs/dbraw/zinc/01/67/39/1092016739.db2.gz CFQXUENOKGQNNH-CABCVRRESA-N 2 1 323.278 3.141 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276403456 1092037919 /nfs/dbraw/zinc/03/79/19/1092037919.db2.gz AMTXJPXZLRZLNP-UHFFFAOYSA-N 2 1 310.445 3.013 20 0 DGADMP Cc1nccnc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140938077 1092068387 /nfs/dbraw/zinc/06/83/87/1092068387.db2.gz SLTUDFATEHBGIR-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)CCC[NH+](C)C ZINC001140963419 1092085693 /nfs/dbraw/zinc/08/56/93/1092085693.db2.gz VDUZGRTXWNCTLV-UHFFFAOYSA-N 2 1 304.356 3.277 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C)CCC[NH+](C)C ZINC001140963419 1092085704 /nfs/dbraw/zinc/08/57/04/1092085704.db2.gz VDUZGRTXWNCTLV-UHFFFAOYSA-N 2 1 304.356 3.277 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001140973692 1092090348 /nfs/dbraw/zinc/09/03/48/1092090348.db2.gz PAIYSQIUCNHSTR-IAGOWNOFSA-N 2 1 301.478 3.059 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC3(CCCC3)C2)CC1 ZINC001140974321 1092091662 /nfs/dbraw/zinc/09/16/62/1092091662.db2.gz ZOZICQXMPDRJPX-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012378 1092106271 /nfs/dbraw/zinc/10/62/71/1092106271.db2.gz JXENKSBUYPHYIM-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012378 1092106277 /nfs/dbraw/zinc/10/62/77/1092106277.db2.gz JXENKSBUYPHYIM-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012378 1092106282 /nfs/dbraw/zinc/10/62/82/1092106282.db2.gz JXENKSBUYPHYIM-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012378 1092106291 /nfs/dbraw/zinc/10/62/91/1092106291.db2.gz JXENKSBUYPHYIM-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP C[C@H]1CC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001207814570 1092107821 /nfs/dbraw/zinc/10/78/21/1092107821.db2.gz YNNCYPUPCJORHD-WMLDXEAASA-N 2 1 310.445 3.197 20 0 DGADMP CC(C)N(C)c1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC001207838437 1092113666 /nfs/dbraw/zinc/11/36/66/1092113666.db2.gz YINDGXPOXCTHBZ-UHFFFAOYSA-N 2 1 318.509 3.279 20 0 DGADMP CC(C)N(C)c1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC001207838437 1092113677 /nfs/dbraw/zinc/11/36/77/1092113677.db2.gz YINDGXPOXCTHBZ-UHFFFAOYSA-N 2 1 318.509 3.279 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCO4)CC[C@@H]3C2)cc1 ZINC001207896657 1092132575 /nfs/dbraw/zinc/13/25/75/1092132575.db2.gz RUAROUXOODALNS-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@@H]3C2)cc1 ZINC001207896657 1092132578 /nfs/dbraw/zinc/13/25/78/1092132578.db2.gz RUAROUXOODALNS-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@@H]3C2)cc1 ZINC001207896657 1092132583 /nfs/dbraw/zinc/13/25/83/1092132583.db2.gz RUAROUXOODALNS-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013128 1092174818 /nfs/dbraw/zinc/17/48/18/1092174818.db2.gz AUCQLIOERTVEPD-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001141211378 1092180354 /nfs/dbraw/zinc/18/03/54/1092180354.db2.gz WJPPIJRZZJPSRT-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001141211378 1092180358 /nfs/dbraw/zinc/18/03/58/1092180358.db2.gz WJPPIJRZZJPSRT-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001141211378 1092180361 /nfs/dbraw/zinc/18/03/61/1092180361.db2.gz WJPPIJRZZJPSRT-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001141211378 1092180366 /nfs/dbraw/zinc/18/03/66/1092180366.db2.gz WJPPIJRZZJPSRT-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[C@H](CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000088684296 1092191920 /nfs/dbraw/zinc/19/19/20/1092191920.db2.gz TUDHCAOVDLDOMT-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000088684296 1092191926 /nfs/dbraw/zinc/19/19/26/1092191926.db2.gz TUDHCAOVDLDOMT-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP CC/C=C\CCC[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001208132631 1092207648 /nfs/dbraw/zinc/20/76/48/1092207648.db2.gz MHZJXBNXOIYNJE-SREVYHEPSA-N 2 1 319.497 3.070 20 0 DGADMP CC/C=C\CCCN1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001208132631 1092207660 /nfs/dbraw/zinc/20/76/60/1092207660.db2.gz MHZJXBNXOIYNJE-SREVYHEPSA-N 2 1 319.497 3.070 20 0 DGADMP CS[C@H](C)CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208142049 1092216975 /nfs/dbraw/zinc/21/69/75/1092216975.db2.gz CNXSPSKFROUFIX-OAGGEKHMSA-N 2 1 308.491 3.175 20 0 DGADMP CS[C@H](C)CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208142049 1092216988 /nfs/dbraw/zinc/21/69/88/1092216988.db2.gz CNXSPSKFROUFIX-OAGGEKHMSA-N 2 1 308.491 3.175 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001208142049 1092217000 /nfs/dbraw/zinc/21/70/00/1092217000.db2.gz CNXSPSKFROUFIX-OAGGEKHMSA-N 2 1 308.491 3.175 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001208142049 1092217011 /nfs/dbraw/zinc/21/70/11/1092217011.db2.gz CNXSPSKFROUFIX-OAGGEKHMSA-N 2 1 308.491 3.175 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208187346 1092247761 /nfs/dbraw/zinc/24/77/61/1092247761.db2.gz JFXMEQWNJDYHEP-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCCC1 ZINC001208191646 1092252315 /nfs/dbraw/zinc/25/23/15/1092252315.db2.gz MSGNMDACACAHMT-IBGZPJMESA-N 3 1 321.553 3.449 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCCC1 ZINC001208191646 1092252318 /nfs/dbraw/zinc/25/23/18/1092252318.db2.gz MSGNMDACACAHMT-IBGZPJMESA-N 3 1 321.553 3.449 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC001208223518 1092279603 /nfs/dbraw/zinc/27/96/03/1092279603.db2.gz BCUSYDZTKUAWLT-INIZCTEOSA-N 2 1 320.477 3.258 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001208583613 1092408419 /nfs/dbraw/zinc/40/84/19/1092408419.db2.gz BOKBJZKOIUHEAA-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208583613 1092408425 /nfs/dbraw/zinc/40/84/25/1092408425.db2.gz BOKBJZKOIUHEAA-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208583613 1092408432 /nfs/dbraw/zinc/40/84/32/1092408432.db2.gz BOKBJZKOIUHEAA-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCC(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208596050 1092420122 /nfs/dbraw/zinc/42/01/22/1092420122.db2.gz AGKPRXBDYNBINZ-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001208596050 1092420132 /nfs/dbraw/zinc/42/01/32/1092420132.db2.gz AGKPRXBDYNBINZ-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208596050 1092420138 /nfs/dbraw/zinc/42/01/38/1092420138.db2.gz AGKPRXBDYNBINZ-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP COc1ccccc1C1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608082 1092425655 /nfs/dbraw/zinc/42/56/55/1092425655.db2.gz FWLSZTAQNRQGNT-MRXNPFEDSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@H]1OC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208615251 1092427588 /nfs/dbraw/zinc/42/75/88/1092427588.db2.gz TXWYWEVIICHYSK-SJORKVTESA-N 2 1 314.473 3.411 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Cc3ccccc3F)CC2)C1 ZINC001208613099 1092428915 /nfs/dbraw/zinc/42/89/15/1092428915.db2.gz OYIAJCUQXOLSBA-QGZVFWFLSA-N 2 1 304.453 3.422 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(n3cnc4ccccc43)CC2)C1 ZINC001208616286 1092431414 /nfs/dbraw/zinc/43/14/14/1092431414.db2.gz ZWDLNMSZAJOERV-INIZCTEOSA-N 2 1 312.461 3.015 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619646 1092432187 /nfs/dbraw/zinc/43/21/87/1092432187.db2.gz YTTVWWHZOAZXIP-HXUWFJFHSA-N 2 1 318.505 3.383 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619646 1092432196 /nfs/dbraw/zinc/43/21/96/1092432196.db2.gz YTTVWWHZOAZXIP-HXUWFJFHSA-N 2 1 318.505 3.383 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619646 1092432201 /nfs/dbraw/zinc/43/22/01/1092432201.db2.gz YTTVWWHZOAZXIP-HXUWFJFHSA-N 2 1 318.505 3.383 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619646 1092432207 /nfs/dbraw/zinc/43/22/07/1092432207.db2.gz YTTVWWHZOAZXIP-HXUWFJFHSA-N 2 1 318.505 3.383 20 0 DGADMP CCCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208760261 1092493445 /nfs/dbraw/zinc/49/34/45/1092493445.db2.gz YLVPKQVUZMJZOH-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099756 1092528128 /nfs/dbraw/zinc/52/81/28/1092528128.db2.gz VBYPVZMXWGQYOG-XLAORIBOSA-N 2 1 302.462 3.286 20 0 DGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099754 1092528193 /nfs/dbraw/zinc/52/81/93/1092528193.db2.gz VBYPVZMXWGQYOG-FJIDUMEYSA-N 2 1 302.462 3.286 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]1OCc1ccccc1)C2 ZINC001169102263 1092531365 /nfs/dbraw/zinc/53/13/65/1092531365.db2.gz YRZZOXMAVWATOX-WPVAHCMFSA-N 2 1 314.473 3.339 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3cccc4nc[nH]c43)CC2)CC1 ZINC001142687174 1092532238 /nfs/dbraw/zinc/53/22/38/1092532238.db2.gz OFRMCZOIYJRRAQ-UHFFFAOYSA-N 2 1 312.461 3.117 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)C2 ZINC001169089294 1092537891 /nfs/dbraw/zinc/53/78/91/1092537891.db2.gz AVFCCKAXWVBVRG-MUJYYYPQSA-N 2 1 308.853 3.324 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169122948 1092544937 /nfs/dbraw/zinc/54/49/37/1092544937.db2.gz GJOQRDQFEBFOKM-YYAJDYIMSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107805 1092551958 /nfs/dbraw/zinc/55/19/58/1092551958.db2.gz KKTHAXHYGRNAEY-QMCVQRASSA-N 2 1 310.445 3.368 20 0 DGADMP CC1(C)C[C@H](Nc2cc[nH+]c(N3CCCC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169142668 1092557839 /nfs/dbraw/zinc/55/78/39/1092557839.db2.gz NMRNNBVAKSEEOI-KBXCAEBGSA-N 2 1 317.481 3.032 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccnc2Cl)CCC[C@H]1C[NH3+] ZINC001206002819 1092565008 /nfs/dbraw/zinc/56/50/08/1092565008.db2.gz BOQNYFVVRIQCTJ-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H](C)C(F)(F)F)CC1 ZINC001208888187 1092568127 /nfs/dbraw/zinc/56/81/27/1092568127.db2.gz OBBLEUUXTIKNSY-NSHDSACASA-N 2 1 301.356 3.127 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888648 1092568687 /nfs/dbraw/zinc/56/86/87/1092568687.db2.gz SRZJCBRYQXFUMT-LSDHHAIUSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888648 1092568695 /nfs/dbraw/zinc/56/86/95/1092568695.db2.gz SRZJCBRYQXFUMT-LSDHHAIUSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888648 1092568707 /nfs/dbraw/zinc/56/87/07/1092568707.db2.gz SRZJCBRYQXFUMT-LSDHHAIUSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888648 1092568716 /nfs/dbraw/zinc/56/87/16/1092568716.db2.gz SRZJCBRYQXFUMT-LSDHHAIUSA-N 2 1 322.415 3.008 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169154999 1092569965 /nfs/dbraw/zinc/56/99/65/1092569965.db2.gz VOOIHMODWGWJEA-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169154999 1092569972 /nfs/dbraw/zinc/56/99/72/1092569972.db2.gz VOOIHMODWGWJEA-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169154999 1092569980 /nfs/dbraw/zinc/56/99/80/1092569980.db2.gz VOOIHMODWGWJEA-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1Cc1ccc(F)cc1)C2 ZINC001169160716 1092571459 /nfs/dbraw/zinc/57/14/59/1092571459.db2.gz LDSAGFKXRJDLTG-ZSYWTGECSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)C2 ZINC001169160716 1092571470 /nfs/dbraw/zinc/57/14/70/1092571470.db2.gz LDSAGFKXRJDLTG-ZSYWTGECSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1Cc1ccc(F)cc1)C2 ZINC001169160716 1092571473 /nfs/dbraw/zinc/57/14/73/1092571473.db2.gz LDSAGFKXRJDLTG-ZSYWTGECSA-N 2 1 302.437 3.458 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(n3cnc4ccccc43)CC1)C2 ZINC001169162530 1092574023 /nfs/dbraw/zinc/57/40/23/1092574023.db2.gz UOTPFOZOXYHUEJ-PIIMJCKOSA-N 2 1 324.472 3.298 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(OCC4CC4)C3)CC1)C2 ZINC001169140574 1092574893 /nfs/dbraw/zinc/57/48/93/1092574893.db2.gz SEFSUDKPVBFOMC-BCDXTJNWSA-N 2 1 318.505 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(OCC4CC4)C3)CC1)C2 ZINC001169140574 1092574902 /nfs/dbraw/zinc/57/49/02/1092574902.db2.gz SEFSUDKPVBFOMC-BCDXTJNWSA-N 2 1 318.505 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001169140253 1092575291 /nfs/dbraw/zinc/57/52/91/1092575291.db2.gz QGXYBXLNGVBDHW-MILMJNAHSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001169140253 1092575293 /nfs/dbraw/zinc/57/52/93/1092575293.db2.gz QGXYBXLNGVBDHW-MILMJNAHSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001169140253 1092575303 /nfs/dbraw/zinc/57/53/03/1092575303.db2.gz QGXYBXLNGVBDHW-MILMJNAHSA-N 2 1 318.505 3.139 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004039 1092578917 /nfs/dbraw/zinc/57/89/17/1092578917.db2.gz PCTDQAHXXXIPGL-CJNGLKHVSA-N 2 1 306.498 3.062 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001169189064 1092579015 /nfs/dbraw/zinc/57/90/15/1092579015.db2.gz PRFPBEXCGWEJAR-QGZVFWFLSA-N 2 1 321.428 3.036 20 0 DGADMP C[NH+](CCc1ccccn1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927726 1092591056 /nfs/dbraw/zinc/59/10/56/1092591056.db2.gz DLRMJBVQCPQUFV-FQEVSTJZSA-N 2 1 323.484 3.468 20 0 DGADMP C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208932382 1092595710 /nfs/dbraw/zinc/59/57/10/1092595710.db2.gz PLPHEFXHROETRK-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208932382 1092595721 /nfs/dbraw/zinc/59/57/21/1092595721.db2.gz PLPHEFXHROETRK-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@]1(O)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932382 1092595730 /nfs/dbraw/zinc/59/57/30/1092595730.db2.gz PLPHEFXHROETRK-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208933550 1092596005 /nfs/dbraw/zinc/59/60/05/1092596005.db2.gz WECVICFITHZXIF-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933550 1092596014 /nfs/dbraw/zinc/59/60/14/1092596014.db2.gz WECVICFITHZXIF-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933550 1092596023 /nfs/dbraw/zinc/59/60/23/1092596023.db2.gz WECVICFITHZXIF-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@H]4CCO[C@H]4C3)C2)cc1 ZINC001208933729 1092596674 /nfs/dbraw/zinc/59/66/74/1092596674.db2.gz GFJVPRIZTYAFJE-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)C2)cc1 ZINC001208933729 1092596681 /nfs/dbraw/zinc/59/66/81/1092596681.db2.gz GFJVPRIZTYAFJE-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@H]4CCO[C@H]4C3)C2)cc1 ZINC001208933729 1092596687 /nfs/dbraw/zinc/59/66/87/1092596687.db2.gz GFJVPRIZTYAFJE-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(COC4)CC3)C2)cc1 ZINC001208932855 1092597049 /nfs/dbraw/zinc/59/70/49/1092597049.db2.gz RIRZBWHCLWJRGT-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP CCCO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937911 1092600621 /nfs/dbraw/zinc/60/06/21/1092600621.db2.gz WGLHTUQFTJGHMN-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208937911 1092600625 /nfs/dbraw/zinc/60/06/25/1092600625.db2.gz WGLHTUQFTJGHMN-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208937911 1092600633 /nfs/dbraw/zinc/60/06/33/1092600633.db2.gz WGLHTUQFTJGHMN-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[C@H]1COCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940715 1092603995 /nfs/dbraw/zinc/60/39/95/1092603995.db2.gz VWLFZPKAIDNAPM-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@H]1COCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940715 1092603998 /nfs/dbraw/zinc/60/39/98/1092603998.db2.gz VWLFZPKAIDNAPM-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940715 1092604000 /nfs/dbraw/zinc/60/40/00/1092604000.db2.gz VWLFZPKAIDNAPM-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940715 1092604002 /nfs/dbraw/zinc/60/40/02/1092604002.db2.gz VWLFZPKAIDNAPM-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001169262324 1092605823 /nfs/dbraw/zinc/60/58/23/1092605823.db2.gz XOFKAHPIJJHRAR-GOSISDBHSA-N 2 1 316.489 3.434 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001169262324 1092605829 /nfs/dbraw/zinc/60/58/29/1092605829.db2.gz XOFKAHPIJJHRAR-GOSISDBHSA-N 2 1 316.489 3.434 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001169264082 1092607927 /nfs/dbraw/zinc/60/79/27/1092607927.db2.gz HDDDHUCEUPIKIG-SFHVURJKSA-N 2 1 316.445 3.094 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001169264082 1092607932 /nfs/dbraw/zinc/60/79/32/1092607932.db2.gz HDDDHUCEUPIKIG-SFHVURJKSA-N 2 1 316.445 3.094 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208950613 1092609501 /nfs/dbraw/zinc/60/95/01/1092609501.db2.gz VTRPLKMGMCTFTM-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208950613 1092609503 /nfs/dbraw/zinc/60/95/03/1092609503.db2.gz VTRPLKMGMCTFTM-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208950613 1092609507 /nfs/dbraw/zinc/60/95/07/1092609507.db2.gz VTRPLKMGMCTFTM-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP c1nscc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276603953 1092610980 /nfs/dbraw/zinc/61/09/80/1092610980.db2.gz GHGMIQPAQUECQE-UHFFFAOYSA-N 2 1 305.491 3.374 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC001169258616 1092621335 /nfs/dbraw/zinc/62/13/35/1092621335.db2.gz OSCDETFCFNMAQX-UHFFFAOYSA-N 2 1 320.452 3.291 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001276611179 1092632915 /nfs/dbraw/zinc/63/29/15/1092632915.db2.gz ZHXFOKHDCRSXJU-UHFFFAOYSA-N 2 1 324.472 3.303 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2cccnc2[nH]1 ZINC001143221762 1092637109 /nfs/dbraw/zinc/63/71/09/1092637109.db2.gz KLUPFDGUGRWDSR-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2cccnc2[nH]1 ZINC001143221762 1092637116 /nfs/dbraw/zinc/63/71/16/1092637116.db2.gz KLUPFDGUGRWDSR-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2cccnc2[nH]1 ZINC001143221762 1092637119 /nfs/dbraw/zinc/63/71/19/1092637119.db2.gz KLUPFDGUGRWDSR-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143221762 1092637125 /nfs/dbraw/zinc/63/71/25/1092637125.db2.gz KLUPFDGUGRWDSR-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)CCCC(C)(C)OC(C)=O)CC1 ZINC001209159898 1092676576 /nfs/dbraw/zinc/67/65/76/1092676576.db2.gz SXYYDQWNXRCEMH-UHFFFAOYSA-N 2 1 312.498 3.305 20 0 DGADMP Cc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276623376 1092690090 /nfs/dbraw/zinc/69/00/90/1092690090.db2.gz UTCJJVCKZCXTBT-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276630794 1092729347 /nfs/dbraw/zinc/72/93/47/1092729347.db2.gz AHLRORULVBVNFY-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001206633352 1092767635 /nfs/dbraw/zinc/76/76/35/1092767635.db2.gz WOSGCKALPZYNPX-NSHDSACASA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001206633352 1092767637 /nfs/dbraw/zinc/76/76/37/1092767637.db2.gz WOSGCKALPZYNPX-NSHDSACASA-N 2 1 320.330 3.285 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209602413 1092844759 /nfs/dbraw/zinc/84/47/59/1092844759.db2.gz LXGZLGPWVJUJBE-UHFFFAOYSA-N 2 1 308.857 3.380 20 0 DGADMP Cc1nccn1-c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276664573 1092877566 /nfs/dbraw/zinc/87/75/66/1092877566.db2.gz YFWRILGQTLCGKT-FQEVSTJZSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001276664573 1092877576 /nfs/dbraw/zinc/87/75/76/1092877576.db2.gz YFWRILGQTLCGKT-FQEVSTJZSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001276664573 1092877585 /nfs/dbraw/zinc/87/75/85/1092877585.db2.gz YFWRILGQTLCGKT-FQEVSTJZSA-N 3 1 324.472 3.098 20 0 DGADMP COc1c(Cl)ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC001209700242 1092885622 /nfs/dbraw/zinc/88/56/22/1092885622.db2.gz DJBNDFAAOVBFGS-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001206640750 1092889286 /nfs/dbraw/zinc/88/92/86/1092889286.db2.gz MTWDMNGLHNTVRW-AWEZNQCLSA-N 2 1 301.409 3.382 20 0 DGADMP C[NH+](C)CCOc1cc(F)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209852251 1092949020 /nfs/dbraw/zinc/94/90/20/1092949020.db2.gz YQMBCGWNNPWLBQ-UHFFFAOYSA-N 2 1 314.364 3.386 20 0 DGADMP Fc1cccc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267202 1093101312 /nfs/dbraw/zinc/10/13/12/1093101312.db2.gz YMIAYNIIXISXPE-UHFFFAOYSA-N 2 1 306.772 3.027 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001210474642 1093180372 /nfs/dbraw/zinc/18/03/72/1093180372.db2.gz HMTHXZHMINZAOH-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001210474642 1093180377 /nfs/dbraw/zinc/18/03/77/1093180377.db2.gz HMTHXZHMINZAOH-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP COc1ccc(CC[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001276722043 1093977407 /nfs/dbraw/zinc/97/74/07/1093977407.db2.gz VAXKIJBUICRREB-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001276741052 1094203102 /nfs/dbraw/zinc/20/31/02/1094203102.db2.gz PPVGOAYMOACWSN-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276741052 1094203105 /nfs/dbraw/zinc/20/31/05/1094203105.db2.gz PPVGOAYMOACWSN-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001276741052 1094203109 /nfs/dbraw/zinc/20/31/09/1094203109.db2.gz PPVGOAYMOACWSN-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC001119948956 1094318563 /nfs/dbraw/zinc/31/85/63/1094318563.db2.gz VMVIZOIVCWAUMR-PPDQVPDSSA-N 2 1 316.489 3.495 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC)CCCCC1 ZINC001119990492 1094337950 /nfs/dbraw/zinc/33/79/50/1094337950.db2.gz ZSUAVPRFNRWZDB-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CCCOCC2)CC1 ZINC001170800185 1094428955 /nfs/dbraw/zinc/42/89/55/1094428955.db2.gz VHVSSWBZVRNKMI-FHWLQOOXSA-N 2 1 302.462 3.328 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001120573183 1094459692 /nfs/dbraw/zinc/45/96/92/1094459692.db2.gz AIXPFHSPIHQKJJ-QHGAOEGBSA-N 2 1 316.489 3.007 20 0 DGADMP CC1(CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001217912937 1094516785 /nfs/dbraw/zinc/51/67/85/1094516785.db2.gz WZYOJSRFAUFEIR-QGZVFWFLSA-N 2 1 322.880 3.321 20 0 DGADMP CC[C@@]1(c2cccc(O[C@@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218038694 1094574003 /nfs/dbraw/zinc/57/40/03/1094574003.db2.gz SEMUSZLRIORNEL-RTBURBONSA-N 2 1 302.462 3.191 20 0 DGADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586244 1094585148 /nfs/dbraw/zinc/58/51/48/1094585148.db2.gz ZJZMKRPJHFHWIS-HOTGVXAUSA-N 2 1 322.497 3.070 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1Oc2ccccc2[C@@H]1C ZINC001336737311 1094716848 /nfs/dbraw/zinc/71/68/48/1094716848.db2.gz XXFLQQLAFFSMNT-RCJKZCPDSA-N 2 1 300.446 3.154 20 0 DGADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001336889181 1094774526 /nfs/dbraw/zinc/77/45/26/1094774526.db2.gz PBDGKVOJSXUGSQ-ZNMIVQPWSA-N 2 1 307.507 3.429 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@H]2C1 ZINC001336889263 1094774982 /nfs/dbraw/zinc/77/49/82/1094774982.db2.gz QKQFWKIJWGQDPZ-CGTJXYLNSA-N 2 1 309.457 3.397 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC000693115721 1094981059 /nfs/dbraw/zinc/98/10/59/1094981059.db2.gz IUIOZKKOXNIQHJ-GOSISDBHSA-N 2 1 322.452 3.233 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC000693115721 1094981065 /nfs/dbraw/zinc/98/10/65/1094981065.db2.gz IUIOZKKOXNIQHJ-GOSISDBHSA-N 2 1 322.452 3.233 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534908 1095010500 /nfs/dbraw/zinc/01/05/00/1095010500.db2.gz NNDXAMDYPATPRP-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534908 1095010514 /nfs/dbraw/zinc/01/05/14/1095010514.db2.gz NNDXAMDYPATPRP-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000314709578 1095061709 /nfs/dbraw/zinc/06/17/09/1095061709.db2.gz LWYZEKMLALBTAD-GFCCVEGCSA-N 2 1 302.340 3.146 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000314709578 1095061722 /nfs/dbraw/zinc/06/17/22/1095061722.db2.gz LWYZEKMLALBTAD-GFCCVEGCSA-N 2 1 302.340 3.146 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cccc(F)c3C1)C2 ZINC001170973913 1095063182 /nfs/dbraw/zinc/06/31/82/1095063182.db2.gz SFWHXBZBKOWOPO-VQHPVUNQSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cccc(F)c3C1)C2 ZINC001170973913 1095063198 /nfs/dbraw/zinc/06/31/98/1095063198.db2.gz SFWHXBZBKOWOPO-VQHPVUNQSA-N 2 1 302.437 3.288 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)[C@H](C)C1 ZINC001170977279 1095067173 /nfs/dbraw/zinc/06/71/73/1095067173.db2.gz NSBHLRVXASSYSS-OGWOLHLISA-N 2 1 304.453 3.391 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246187264 1095085611 /nfs/dbraw/zinc/08/56/11/1095085611.db2.gz FNQZQARYBQFFOH-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000316487621 1095176881 /nfs/dbraw/zinc/17/68/81/1095176881.db2.gz XOAAQNKIRHLRPY-MRXNPFEDSA-N 2 1 302.462 3.220 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326433 1095212073 /nfs/dbraw/zinc/21/20/73/1095212073.db2.gz OPEIAXBOJSGHBA-JMSVASOKSA-N 2 1 311.267 3.110 20 0 DGADMP c1cc2[nH+]ccc(NC3CCN(c4cc[nH+]cc4)CC3)c2s1 ZINC001338180312 1095212911 /nfs/dbraw/zinc/21/29/11/1095212911.db2.gz VTHGFZIVRPSFDQ-UHFFFAOYSA-N 2 1 310.426 3.194 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535098 1095269431 /nfs/dbraw/zinc/26/94/31/1095269431.db2.gz JROAQAZKCNUFKV-QGZVFWFLSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246452761 1095284991 /nfs/dbraw/zinc/28/49/91/1095284991.db2.gz MFNVZLBRRHUMQZ-CYBMUJFWSA-N 2 1 301.261 3.438 20 0 DGADMP Cc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c2[nH+]ccn2c1 ZINC001171095395 1095337493 /nfs/dbraw/zinc/33/74/93/1095337493.db2.gz SPLYULMEKHTMAV-AWEZNQCLSA-N 2 1 316.408 3.403 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171095890 1095339449 /nfs/dbraw/zinc/33/94/49/1095339449.db2.gz VAVQNMIWNCBWOA-CQSZACIVSA-N 2 1 320.440 3.216 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001115996751 1095432789 /nfs/dbraw/zinc/43/27/89/1095432789.db2.gz LMMVYFSEIJDEDV-GOSISDBHSA-N 2 1 315.461 3.095 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC(C)C ZINC001222148047 1095456895 /nfs/dbraw/zinc/45/68/95/1095456895.db2.gz IMHRTYWWNNDZIO-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC(C)C ZINC001222148047 1095456899 /nfs/dbraw/zinc/45/68/99/1095456899.db2.gz IMHRTYWWNNDZIO-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c21 ZINC001222147832 1095457308 /nfs/dbraw/zinc/45/73/08/1095457308.db2.gz BRWFHVBMJTYVDP-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2[nH]cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c21 ZINC001222147832 1095457312 /nfs/dbraw/zinc/45/73/12/1095457312.db2.gz BRWFHVBMJTYVDP-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149080 1095459250 /nfs/dbraw/zinc/45/92/50/1095459250.db2.gz WKHCIMZKRUJEPX-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149080 1095459257 /nfs/dbraw/zinc/45/92/57/1095459257.db2.gz WKHCIMZKRUJEPX-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC(C)C ZINC001222154410 1095461368 /nfs/dbraw/zinc/46/13/68/1095461368.db2.gz LARDEGXPQABPKT-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC001222154979 1095462836 /nfs/dbraw/zinc/46/28/36/1095462836.db2.gz VBWCXXUVYDEVTN-GOSISDBHSA-N 2 1 313.470 3.386 20 0 DGADMP c1csc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC001222154979 1095462840 /nfs/dbraw/zinc/46/28/40/1095462840.db2.gz VBWCXXUVYDEVTN-GOSISDBHSA-N 2 1 313.470 3.386 20 0 DGADMP COc1cc(O)ccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222159937 1095466152 /nfs/dbraw/zinc/46/61/52/1095466152.db2.gz AFBDGHUVLNBOGM-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP COc1cc(O)ccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222159937 1095466159 /nfs/dbraw/zinc/46/61/59/1095466159.db2.gz AFBDGHUVLNBOGM-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161407 1095467119 /nfs/dbraw/zinc/46/71/19/1095467119.db2.gz NUOQGHPYRMVWBQ-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1N ZINC001222167269 1095472760 /nfs/dbraw/zinc/47/27/60/1095472760.db2.gz JOANUSYFNDMSEV-LJQANCHMSA-N 2 1 317.477 3.023 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cnc1C ZINC001222167805 1095473037 /nfs/dbraw/zinc/47/30/37/1095473037.db2.gz RSIIJMUBOGELNR-LJQANCHMSA-N 2 1 301.478 3.444 20 0 DGADMP c1[nH]nc2cccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c12 ZINC001222167902 1095474486 /nfs/dbraw/zinc/47/44/86/1095474486.db2.gz UVMINRUUKUIDLF-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c1)CCN2 ZINC001222173750 1095479038 /nfs/dbraw/zinc/47/90/38/1095479038.db2.gz XDCWLLVWMDPJID-FQEVSTJZSA-N 2 1 313.489 3.400 20 0 DGADMP C[C@@H](C[N@H+]1CCOC2(CC[NH2+]CC2)C1)c1cccc2ccccc21 ZINC001222181508 1095480949 /nfs/dbraw/zinc/48/09/49/1095480949.db2.gz LGEFGZQWNRQKKJ-KRWDZBQOSA-N 2 1 324.468 3.398 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136200 1095501103 /nfs/dbraw/zinc/50/11/03/1095501103.db2.gz SNDPGXBJLZMVQZ-QZTJIDSGSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136200 1095501110 /nfs/dbraw/zinc/50/11/10/1095501110.db2.gz SNDPGXBJLZMVQZ-QZTJIDSGSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136200 1095501122 /nfs/dbraw/zinc/50/11/22/1095501122.db2.gz SNDPGXBJLZMVQZ-QZTJIDSGSA-N 2 1 304.865 3.225 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246540394 1095504895 /nfs/dbraw/zinc/50/48/95/1095504895.db2.gz GQCYFVOKKAQUEF-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246540394 1095504903 /nfs/dbraw/zinc/50/49/03/1095504903.db2.gz GQCYFVOKKAQUEF-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC001116288961 1095505988 /nfs/dbraw/zinc/50/59/88/1095505988.db2.gz KFEPDILOKLLJES-QAPCUYQASA-N 2 1 313.445 3.204 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC001116293579 1095506982 /nfs/dbraw/zinc/50/69/82/1095506982.db2.gz SZOWRBJMFXVFRR-CABCVRRESA-N 2 1 307.457 3.274 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC001116293579 1095506991 /nfs/dbraw/zinc/50/69/91/1095506991.db2.gz SZOWRBJMFXVFRR-CABCVRRESA-N 2 1 307.457 3.274 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC001116292686 1095508533 /nfs/dbraw/zinc/50/85/33/1095508533.db2.gz BAQUPCJORBHIMC-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP Fc1ccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001222265332 1095518382 /nfs/dbraw/zinc/51/83/82/1095518382.db2.gz RJTRXBQTPHJBPH-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222264948 1095518520 /nfs/dbraw/zinc/51/85/20/1095518520.db2.gz LNJNOFWAJDHOMV-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222264948 1095518530 /nfs/dbraw/zinc/51/85/30/1095518530.db2.gz LNJNOFWAJDHOMV-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265197 1095518879 /nfs/dbraw/zinc/51/88/79/1095518879.db2.gz PWDFZCSTDLOXHZ-LJQANCHMSA-N 2 1 314.429 3.407 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265197 1095518888 /nfs/dbraw/zinc/51/88/88/1095518888.db2.gz PWDFZCSTDLOXHZ-LJQANCHMSA-N 2 1 314.429 3.407 20 0 DGADMP c1ccc(COCCCC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222264496 1095519990 /nfs/dbraw/zinc/51/99/90/1095519990.db2.gz BXALTEQROOLAQR-HXUWFJFHSA-N 2 1 316.489 3.449 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1C ZINC001222293305 1095533168 /nfs/dbraw/zinc/53/31/68/1095533168.db2.gz ULKVXMSFMLJFFG-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316387 1095545019 /nfs/dbraw/zinc/54/50/19/1095545019.db2.gz VPCFOYGOQITQFC-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316387 1095545025 /nfs/dbraw/zinc/54/50/25/1095545025.db2.gz VPCFOYGOQITQFC-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320339 1095549936 /nfs/dbraw/zinc/54/99/36/1095549936.db2.gz GWOHBXABNNIPAG-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320339 1095549945 /nfs/dbraw/zinc/54/99/45/1095549945.db2.gz GWOHBXABNNIPAG-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171148526 1095550464 /nfs/dbraw/zinc/55/04/64/1095550464.db2.gz POQUGRYEHDQMMK-MFKMUULPSA-N 2 1 301.261 3.377 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cnc1OC(C)C ZINC001222321207 1095550541 /nfs/dbraw/zinc/55/05/41/1095550541.db2.gz RZABYLGGYRUXSF-LJQANCHMSA-N 2 1 317.477 3.285 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3cc[nH]c3n2)CC1 ZINC001144187085 1095555268 /nfs/dbraw/zinc/55/52/68/1095555268.db2.gz VHWRAZGXMGAQHI-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3cc[nH]c3n2)CC1 ZINC001144187085 1095555281 /nfs/dbraw/zinc/55/52/81/1095555281.db2.gz VHWRAZGXMGAQHI-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554876 1095600078 /nfs/dbraw/zinc/60/00/78/1095600078.db2.gz FGNQQFWAYBUDGT-WCQYABFASA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554876 1095600089 /nfs/dbraw/zinc/60/00/89/1095600089.db2.gz FGNQQFWAYBUDGT-WCQYABFASA-N 2 1 302.796 3.187 20 0 DGADMP C[NH+]1CCC(O[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001222504327 1095642938 /nfs/dbraw/zinc/64/29/38/1095642938.db2.gz QSVCXIFYSDWIRX-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP c1ccc([C@@H]2C[N@H+](CC3(c4ccccc4)CC3)CC23C[NH2+]C3)cc1 ZINC001222596132 1095683180 /nfs/dbraw/zinc/68/31/80/1095683180.db2.gz QIQSIDWDPGJOSW-FQEVSTJZSA-N 2 1 318.464 3.407 20 0 DGADMP C[C@@H](C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1)c1ccccc1 ZINC001222596175 1095683525 /nfs/dbraw/zinc/68/35/25/1095683525.db2.gz RLVCTDZPCWOPEA-PXNSSMCTSA-N 2 1 306.453 3.479 20 0 DGADMP CCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602197 1095686677 /nfs/dbraw/zinc/68/66/77/1095686677.db2.gz KCAFTZHHPIDYLT-FQEVSTJZSA-N 2 1 322.452 3.274 20 0 DGADMP CCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602197 1095686680 /nfs/dbraw/zinc/68/66/80/1095686680.db2.gz KCAFTZHHPIDYLT-FQEVSTJZSA-N 2 1 322.452 3.274 20 0 DGADMP c1cc2cc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc2[nH]1 ZINC001222602698 1095687657 /nfs/dbraw/zinc/68/76/57/1095687657.db2.gz XOAZCOQTUMKFCX-LJQANCHMSA-N 2 1 317.436 3.357 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1 ZINC001222602625 1095688307 /nfs/dbraw/zinc/68/83/07/1095688307.db2.gz VRSIHXWINQCEOE-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1 ZINC001222602625 1095688312 /nfs/dbraw/zinc/68/83/12/1095688312.db2.gz VRSIHXWINQCEOE-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP c1cc2c(cccc2C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)[nH]1 ZINC001222602018 1095688446 /nfs/dbraw/zinc/68/84/46/1095688446.db2.gz GBNCPMQFOWRKLH-LJQANCHMSA-N 2 1 317.436 3.357 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602259 1095688470 /nfs/dbraw/zinc/68/84/70/1095688470.db2.gz LXYBSCLWOKWDPN-FQEVSTJZSA-N 2 1 306.453 3.492 20 0 DGADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602224 1095688499 /nfs/dbraw/zinc/68/84/99/1095688499.db2.gz KZFSWXJPLQCMBI-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602224 1095688505 /nfs/dbraw/zinc/68/85/05/1095688505.db2.gz KZFSWXJPLQCMBI-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601921 1095688515 /nfs/dbraw/zinc/68/85/15/1095688515.db2.gz CYPOHJAZHVGULJ-IBGZPJMESA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601921 1095688521 /nfs/dbraw/zinc/68/85/21/1095688521.db2.gz CYPOHJAZHVGULJ-IBGZPJMESA-N 2 1 310.416 3.323 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629805 1095700759 /nfs/dbraw/zinc/70/07/59/1095700759.db2.gz PUGNPKWSFOQHDW-IYBDPMFKSA-N 2 1 302.462 3.295 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(-c4cncnc4)c3)C2)CC1 ZINC001137770368 1095735988 /nfs/dbraw/zinc/73/59/88/1095735988.db2.gz IVZSGBWTOCTKBA-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP Cn1ccc2ccc(C[NH+]3CCC4(CCC[N@@H+](C)C4)CC3)cc21 ZINC001276845857 1095772477 /nfs/dbraw/zinc/77/24/77/1095772477.db2.gz HYRZLQWRYHFBCH-UHFFFAOYSA-N 2 1 311.473 3.486 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(O)c4ccccc34)C2)CC1 ZINC001138061690 1095859167 /nfs/dbraw/zinc/85/91/67/1095859167.db2.gz RFZLQEMZOKYMEK-UHFFFAOYSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(N4CCCCC4)o3)C2)CC1 ZINC001138177203 1095914441 /nfs/dbraw/zinc/91/44/41/1095914441.db2.gz JYBNVLLLKSDRGJ-UHFFFAOYSA-N 2 1 317.477 3.188 20 0 DGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171246618 1095915700 /nfs/dbraw/zinc/91/57/00/1095915700.db2.gz GIIKYIHMSXYQAH-SJLPKXTDSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001118017915 1095922843 /nfs/dbraw/zinc/92/28/43/1095922843.db2.gz COHIFNGIOYBZKU-LSDHHAIUSA-N 2 1 300.450 3.116 20 0 DGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001118017915 1095922851 /nfs/dbraw/zinc/92/28/51/1095922851.db2.gz COHIFNGIOYBZKU-LSDHHAIUSA-N 2 1 300.450 3.116 20 0 DGADMP CC(C)n1ncc2c1[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC001118034050 1095926375 /nfs/dbraw/zinc/92/63/75/1095926375.db2.gz VMVFWBJEXVIGLU-IXDOHACOSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC001118034050 1095926382 /nfs/dbraw/zinc/92/63/82/1095926382.db2.gz VMVFWBJEXVIGLU-IXDOHACOSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC001118034050 1095926388 /nfs/dbraw/zinc/92/63/88/1095926388.db2.gz VMVFWBJEXVIGLU-IXDOHACOSA-N 2 1 302.466 3.058 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC001118059262 1095926903 /nfs/dbraw/zinc/92/69/03/1095926903.db2.gz LYBBJLVTBCYQIQ-KRTXAFLBSA-N 2 1 303.631 3.027 20 0 DGADMP C[NH2+]C1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCC1 ZINC001340805542 1096038038 /nfs/dbraw/zinc/03/80/38/1096038038.db2.gz XXNLPBWFYWHNPS-OAHLLOKOSA-N 2 1 315.461 3.142 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001146594559 1096067645 /nfs/dbraw/zinc/06/76/45/1096067645.db2.gz UONITSJZGJHLQA-CVEARBPZSA-N 2 1 313.530 3.026 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC001340989132 1096088691 /nfs/dbraw/zinc/08/86/91/1096088691.db2.gz BFYSVIPPIYXMBW-BBWFWOEESA-N 2 1 322.880 3.354 20 0 DGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147358560 1096208943 /nfs/dbraw/zinc/20/89/43/1096208943.db2.gz GTWLKXBPCAPZBN-ZEVQVBBLSA-N 2 1 323.525 3.093 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224705972 1096268367 /nfs/dbraw/zinc/26/83/67/1096268367.db2.gz IBZMLDHFUYJZQU-FGTMMUONSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224705972 1096268372 /nfs/dbraw/zinc/26/83/72/1096268372.db2.gz IBZMLDHFUYJZQU-FGTMMUONSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224705972 1096268379 /nfs/dbraw/zinc/26/83/79/1096268379.db2.gz IBZMLDHFUYJZQU-FGTMMUONSA-N 2 1 317.477 3.108 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224751580 1096278757 /nfs/dbraw/zinc/27/87/57/1096278757.db2.gz ZUTPBLSOHNYJEJ-SFHVURJKSA-N 2 1 320.452 3.293 20 0 DGADMP CC[N@H+]1CCC[C@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224825826 1096293797 /nfs/dbraw/zinc/29/37/97/1096293797.db2.gz MKEDHGDFMQDAEC-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224825826 1096293805 /nfs/dbraw/zinc/29/38/05/1096293805.db2.gz MKEDHGDFMQDAEC-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224825826 1096293812 /nfs/dbraw/zinc/29/38/12/1096293812.db2.gz MKEDHGDFMQDAEC-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)(C)[NH+]1CC(OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830093 1096296040 /nfs/dbraw/zinc/29/60/40/1096296040.db2.gz MFPITCLAODEBET-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001224832965 1096296092 /nfs/dbraw/zinc/29/60/92/1096296092.db2.gz ZCMQQFVECWTWQP-HOTGVXAUSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224832965 1096296098 /nfs/dbraw/zinc/29/60/98/1096296098.db2.gz ZCMQQFVECWTWQP-HOTGVXAUSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224832965 1096296104 /nfs/dbraw/zinc/29/61/04/1096296104.db2.gz ZCMQQFVECWTWQP-HOTGVXAUSA-N 2 1 308.853 3.025 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC001224833109 1096297039 /nfs/dbraw/zinc/29/70/39/1096297039.db2.gz ZLPFGHKZXZGUJX-FUMNGEBKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001224833109 1096297049 /nfs/dbraw/zinc/29/70/49/1096297049.db2.gz ZLPFGHKZXZGUJX-FUMNGEBKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001224833109 1096297058 /nfs/dbraw/zinc/29/70/58/1096297058.db2.gz ZLPFGHKZXZGUJX-FUMNGEBKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+](C)Cc1ccccc1N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001277007511 1096317729 /nfs/dbraw/zinc/31/77/29/1096317729.db2.gz SUTKLXVYECFXHD-FXAWDEMLSA-N 2 1 313.489 3.201 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171339260 1096456648 /nfs/dbraw/zinc/45/66/48/1096456648.db2.gz DKEBOOCWIIXKJK-BBRMVZONSA-N 2 1 308.416 3.144 20 0 DGADMP Cc1cc(N2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)cc[nH+]1 ZINC001277065441 1096509246 /nfs/dbraw/zinc/50/92/46/1096509246.db2.gz XNUCRBPJAKUWPX-IBGZPJMESA-N 2 1 315.461 3.004 20 0 DGADMP Nc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2[nH+]1 ZINC001226418485 1096685094 /nfs/dbraw/zinc/68/50/94/1096685094.db2.gz OGCFBAWLSRULAY-MRXNPFEDSA-N 2 1 319.408 3.470 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cc[nH+]c(N)c1 ZINC001226657012 1096743653 /nfs/dbraw/zinc/74/36/53/1096743653.db2.gz NNXPBLFGAOGBFY-QGZVFWFLSA-N 2 1 311.429 3.343 20 0 DGADMP CCOc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1CC ZINC001226785442 1096777102 /nfs/dbraw/zinc/77/71/02/1096777102.db2.gz UMNYLBUXMKHFEG-UHFFFAOYSA-N 2 1 302.462 3.366 20 0 DGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227149664 1096880236 /nfs/dbraw/zinc/88/02/36/1096880236.db2.gz BGSBGRFKNHGWAS-MGSINWNPSA-N 2 1 323.525 3.090 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506170 1096913675 /nfs/dbraw/zinc/91/36/75/1096913675.db2.gz SRBSFBRPPZBXMD-QWHCGFSZSA-N 2 1 312.379 3.035 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513703 1096915093 /nfs/dbraw/zinc/91/50/93/1096915093.db2.gz XOLVWIANWIFCTM-OLZOCXBDSA-N 2 1 312.379 3.035 20 0 DGADMP Cc1cccc2ncc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)n21 ZINC001171612932 1096934630 /nfs/dbraw/zinc/93/46/30/1096934630.db2.gz ABDZCAQRVHKUHV-UHFFFAOYSA-N 2 1 314.477 3.384 20 0 DGADMP COc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1OC ZINC001171616898 1096934715 /nfs/dbraw/zinc/93/47/15/1096934715.db2.gz DJGCTPFAKCZGNN-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP C[NH+](C)Cc1cccc(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171618799 1096935454 /nfs/dbraw/zinc/93/54/54/1096935454.db2.gz COXBZNWDWWTDDK-UHFFFAOYSA-N 2 1 317.521 3.489 20 0 DGADMP Cc1ccc(CC[C@@H](C)[N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001171667093 1096943430 /nfs/dbraw/zinc/94/34/30/1096943430.db2.gz TZSUTSSBRBXALN-BHIYHBOVSA-N 2 1 316.489 3.287 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171725607 1096954746 /nfs/dbraw/zinc/95/47/46/1096954746.db2.gz NKBUIVCJYAFJON-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171725607 1096954751 /nfs/dbraw/zinc/95/47/51/1096954751.db2.gz NKBUIVCJYAFJON-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725607 1096954758 /nfs/dbraw/zinc/95/47/58/1096954758.db2.gz NKBUIVCJYAFJON-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171725607 1096954760 /nfs/dbraw/zinc/95/47/60/1096954760.db2.gz NKBUIVCJYAFJON-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171725607 1096954765 /nfs/dbraw/zinc/95/47/65/1096954765.db2.gz NKBUIVCJYAFJON-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171762742 1096965349 /nfs/dbraw/zinc/96/53/49/1096965349.db2.gz MFSNFLKERRPITI-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[N@H+]1CCN([C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001171767977 1096967557 /nfs/dbraw/zinc/96/75/57/1096967557.db2.gz QPJTWRJYYYWLEN-CMKODMSKSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)N([C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH3+] ZINC001171741237 1096973158 /nfs/dbraw/zinc/97/31/58/1096973158.db2.gz OUEVKJMAPGOMKF-AEFFLSMTSA-N 2 1 303.494 3.097 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001171785125 1096977074 /nfs/dbraw/zinc/97/70/74/1096977074.db2.gz KPPFOPWFLZWJNB-HZPDHXFCSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001171785125 1096977079 /nfs/dbraw/zinc/97/70/79/1096977079.db2.gz KPPFOPWFLZWJNB-HZPDHXFCSA-N 2 1 302.437 3.290 20 0 DGADMP COCC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967654 1097008557 /nfs/dbraw/zinc/00/85/57/1097008557.db2.gz MOYGMQDYJKIYAX-QGZVFWFLSA-N 2 1 304.478 3.444 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001171948258 1097015239 /nfs/dbraw/zinc/01/52/39/1097015239.db2.gz BZHSMJOXICNUOV-FXQQTDPRSA-N 2 1 324.509 3.207 20 0 DGADMP CC(C)N1CC(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972650 1097021565 /nfs/dbraw/zinc/02/15/65/1097021565.db2.gz SACCCDSDABDNRM-SFHVURJKSA-N 2 1 315.505 3.112 20 0 DGADMP CC1(C)C[C@H]([NH2+]C2CC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171972930 1097021749 /nfs/dbraw/zinc/02/17/49/1097021749.db2.gz UPVDQCTYTBJWBS-QGZVFWFLSA-N 2 1 314.473 3.198 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2CC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171972929 1097021973 /nfs/dbraw/zinc/02/19/73/1097021973.db2.gz UPVDQCTYTBJWBS-KRWDZBQOSA-N 2 1 314.473 3.198 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976019 1097023138 /nfs/dbraw/zinc/02/31/38/1097023138.db2.gz OONVLMWLJZCQQT-OKZBNKHCSA-N 2 1 316.489 3.179 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976924 1097025123 /nfs/dbraw/zinc/02/51/23/1097025123.db2.gz OOQAEHLPVLJIEK-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976924 1097025128 /nfs/dbraw/zinc/02/51/28/1097025128.db2.gz OOQAEHLPVLJIEK-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976924 1097025132 /nfs/dbraw/zinc/02/51/32/1097025132.db2.gz OOQAEHLPVLJIEK-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCCC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976924 1097025138 /nfs/dbraw/zinc/02/51/38/1097025138.db2.gz OOQAEHLPVLJIEK-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978580 1097026954 /nfs/dbraw/zinc/02/69/54/1097026954.db2.gz ZSEAXLRZCWPGNC-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978580 1097026960 /nfs/dbraw/zinc/02/69/60/1097026960.db2.gz ZSEAXLRZCWPGNC-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978580 1097026967 /nfs/dbraw/zinc/02/69/67/1097026967.db2.gz ZSEAXLRZCWPGNC-RTBURBONSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171979609 1097027163 /nfs/dbraw/zinc/02/71/63/1097027163.db2.gz PGRKQYHUOCIHLI-QUCCMNQESA-N 2 1 316.489 3.446 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC001171981374 1097027272 /nfs/dbraw/zinc/02/72/72/1097027272.db2.gz WVPSPHRNVBBODC-RBUKOAKNSA-N 2 1 316.489 3.444 20 0 DGADMP COC(C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001171983029 1097028029 /nfs/dbraw/zinc/02/80/29/1097028029.db2.gz MDBCSSBYNWQLSS-KRWDZBQOSA-N 2 1 320.477 3.028 20 0 DGADMP COC(C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001171983029 1097028036 /nfs/dbraw/zinc/02/80/36/1097028036.db2.gz MDBCSSBYNWQLSS-KRWDZBQOSA-N 2 1 320.477 3.028 20 0 DGADMP C[NH+](C)C1(C)CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986256 1097029463 /nfs/dbraw/zinc/02/94/63/1097029463.db2.gz GEMKDYAXRGCEGY-GOSISDBHSA-N 2 1 315.505 3.066 20 0 DGADMP CO[C@@H](C)C1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987254 1097029797 /nfs/dbraw/zinc/02/97/97/1097029797.db2.gz SFKLGXYTTBMJOB-LPHOPBHVSA-N 2 1 316.489 3.396 20 0 DGADMP Cc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061341 1097041891 /nfs/dbraw/zinc/04/18/91/1097041891.db2.gz GKMMHEULEOYSNR-ACDBMABISA-N 2 1 324.472 3.408 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCOC2)C3)cc1 ZINC001172066088 1097043760 /nfs/dbraw/zinc/04/37/60/1097043760.db2.gz TXXGQZCQLCDQNU-HAGHYFMRSA-N 2 1 314.473 3.198 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064555 1097044970 /nfs/dbraw/zinc/04/49/70/1097044970.db2.gz HHFYLZPLWDVZAD-FSGKZVOOSA-N 2 1 314.473 3.075 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Cc3ccncc3)CC1)C2 ZINC001172128357 1097047913 /nfs/dbraw/zinc/04/79/13/1097047913.db2.gz RHGDQXLLPYQORB-ACDBMABISA-N 2 1 313.489 3.351 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Cc3ccncc3)CC1)C2 ZINC001172128357 1097047919 /nfs/dbraw/zinc/04/79/19/1097047919.db2.gz RHGDQXLLPYQORB-ACDBMABISA-N 2 1 313.489 3.351 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nc(-c3ccccc3)cc1C[NH3+])C2 ZINC001172101959 1097052671 /nfs/dbraw/zinc/05/26/71/1097052671.db2.gz IMGTWSTVRSXKDX-BJWYYQGGSA-N 2 1 310.445 3.197 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)C2 ZINC001172107998 1097054535 /nfs/dbraw/zinc/05/45/35/1097054535.db2.gz NGPIPFAWJDJKDU-QKDCVEJESA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)C2 ZINC001172107998 1097054539 /nfs/dbraw/zinc/05/45/39/1097054539.db2.gz NGPIPFAWJDJKDU-QKDCVEJESA-N 2 1 313.367 3.205 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108918 1097054703 /nfs/dbraw/zinc/05/47/03/1097054703.db2.gz AGLVKBZKULKARP-XMTFNYHQSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108918 1097054709 /nfs/dbraw/zinc/05/47/09/1097054709.db2.gz AGLVKBZKULKARP-XMTFNYHQSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3c(F)cccc31)C2 ZINC001172107987 1097055068 /nfs/dbraw/zinc/05/50/68/1097055068.db2.gz NFOZFAAOMAHATA-LOUJCGABSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001172107534 1097055598 /nfs/dbraw/zinc/05/55/98/1097055598.db2.gz ZFIPXAPWUBKKRD-XYYAHUGASA-N 2 1 314.260 3.493 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001172107534 1097055601 /nfs/dbraw/zinc/05/56/01/1097055601.db2.gz ZFIPXAPWUBKKRD-XYYAHUGASA-N 2 1 314.260 3.493 20 0 DGADMP COc1cccnc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172109108 1097056737 /nfs/dbraw/zinc/05/67/37/1097056737.db2.gz GNJOYQZDQDRYRF-XLMAVXFVSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccnc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172109108 1097056742 /nfs/dbraw/zinc/05/67/42/1097056742.db2.gz GNJOYQZDQDRYRF-XLMAVXFVSA-N 2 1 315.461 3.146 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCO2 ZINC001172110589 1097057007 /nfs/dbraw/zinc/05/70/07/1097057007.db2.gz OVPLQPJQFZBYPX-PILAGYSTSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCO2 ZINC001172110589 1097057013 /nfs/dbraw/zinc/05/70/13/1097057013.db2.gz OVPLQPJQFZBYPX-PILAGYSTSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109249 1097057127 /nfs/dbraw/zinc/05/71/27/1097057127.db2.gz JBSUQKFGZJESPH-DDBAPUKQSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109249 1097057133 /nfs/dbraw/zinc/05/71/33/1097057133.db2.gz JBSUQKFGZJESPH-DDBAPUKQSA-N 2 1 302.462 3.318 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)C2 ZINC001172110877 1097057942 /nfs/dbraw/zinc/05/79/42/1097057942.db2.gz QJODIDOHMSGKIG-BTTYYORXSA-N 2 1 313.367 3.205 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001172112828 1097058290 /nfs/dbraw/zinc/05/82/90/1097058290.db2.gz AKRWWVSYQJYKJM-KYHPRHEASA-N 2 1 300.446 3.424 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172112828 1097058297 /nfs/dbraw/zinc/05/82/97/1097058297.db2.gz AKRWWVSYQJYKJM-KYHPRHEASA-N 2 1 300.446 3.424 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]1COCc1ccccc1)C2 ZINC001172120939 1097063171 /nfs/dbraw/zinc/06/31/71/1097063171.db2.gz AEPGTPACMDVVMS-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]1COCc1ccccc1)C2 ZINC001172120939 1097063177 /nfs/dbraw/zinc/06/31/77/1097063177.db2.gz AEPGTPACMDVVMS-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]1COCc1ccccc1)C2 ZINC001172120939 1097063184 /nfs/dbraw/zinc/06/31/84/1097063184.db2.gz AEPGTPACMDVVMS-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001172121514 1097063404 /nfs/dbraw/zinc/06/34/04/1097063404.db2.gz KFBNFSXUXGMXOH-SFNKJDCFSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001172121514 1097063410 /nfs/dbraw/zinc/06/34/10/1097063410.db2.gz KFBNFSXUXGMXOH-SFNKJDCFSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001172121514 1097063417 /nfs/dbraw/zinc/06/34/17/1097063417.db2.gz KFBNFSXUXGMXOH-SFNKJDCFSA-N 2 1 300.446 3.155 20 0 DGADMP C[C@H](C[NH3+])CN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118192 1097063671 /nfs/dbraw/zinc/06/36/71/1097063671.db2.gz PEIUDAQJUYJPIB-LMCOJAPRSA-N 2 1 315.505 3.099 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001172121516 1097063941 /nfs/dbraw/zinc/06/39/41/1097063941.db2.gz KFBNFSXUXGMXOH-ZMMAXQRCSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001172121516 1097063947 /nfs/dbraw/zinc/06/39/47/1097063947.db2.gz KFBNFSXUXGMXOH-ZMMAXQRCSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001172121516 1097063952 /nfs/dbraw/zinc/06/39/52/1097063952.db2.gz KFBNFSXUXGMXOH-ZMMAXQRCSA-N 2 1 300.446 3.155 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172118480 1097064444 /nfs/dbraw/zinc/06/44/44/1097064444.db2.gz OQZULTKNMTXADT-GFEQUFNTSA-N 2 1 306.494 3.140 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172118480 1097064451 /nfs/dbraw/zinc/06/44/51/1097064451.db2.gz OQZULTKNMTXADT-GFEQUFNTSA-N 2 1 306.494 3.140 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172118480 1097064457 /nfs/dbraw/zinc/06/44/57/1097064457.db2.gz OQZULTKNMTXADT-GFEQUFNTSA-N 2 1 306.494 3.140 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124348 1097065880 /nfs/dbraw/zinc/06/58/80/1097065880.db2.gz KTKCLEYUNLDZKL-RDGPPVDQSA-N 2 1 300.446 3.075 20 0 DGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172222502 1097080313 /nfs/dbraw/zinc/08/03/13/1097080313.db2.gz GBETZFIHOBDKCX-ALOPSCKCSA-N 2 1 320.864 3.300 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001172249634 1097091992 /nfs/dbraw/zinc/09/19/92/1097091992.db2.gz MFVLWMIBKCWMPZ-INIZCTEOSA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001172249634 1097091999 /nfs/dbraw/zinc/09/19/99/1097091999.db2.gz MFVLWMIBKCWMPZ-INIZCTEOSA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001172255762 1097093289 /nfs/dbraw/zinc/09/32/89/1097093289.db2.gz MZUVPKIMDZQYSF-LJQANCHMSA-N 2 1 316.489 3.052 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001172255762 1097093295 /nfs/dbraw/zinc/09/32/95/1097093295.db2.gz MZUVPKIMDZQYSF-LJQANCHMSA-N 2 1 316.489 3.052 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172372243 1097110444 /nfs/dbraw/zinc/11/04/44/1097110444.db2.gz DFKQMFLJHVGFSN-ISARSNTHSA-N 2 1 308.510 3.386 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001172409151 1097131660 /nfs/dbraw/zinc/13/16/60/1097131660.db2.gz QRAADXDVAUIROA-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172400919 1097145648 /nfs/dbraw/zinc/14/56/48/1097145648.db2.gz DOWJMCQSQXYJDG-IRXDYDNUSA-N 2 1 324.509 3.161 20 0 DGADMP Cc1ccc[nH+]c1N([C@@H](C)CCOC(C)C)C1CC[NH2+]CC1 ZINC001172460491 1097161698 /nfs/dbraw/zinc/16/16/98/1097161698.db2.gz OILWACCXZOIKNI-INIZCTEOSA-N 2 1 305.466 3.152 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172575477 1097185216 /nfs/dbraw/zinc/18/52/16/1097185216.db2.gz IAYLVZFNBZIYLH-QWRGUYRKSA-N 2 1 304.812 3.466 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172773329 1097237809 /nfs/dbraw/zinc/23/78/09/1097237809.db2.gz NDKPKPQWKBIAKZ-FGTMMUONSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172773329 1097237812 /nfs/dbraw/zinc/23/78/12/1097237812.db2.gz NDKPKPQWKBIAKZ-FGTMMUONSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172773329 1097237815 /nfs/dbraw/zinc/23/78/15/1097237815.db2.gz NDKPKPQWKBIAKZ-FGTMMUONSA-N 2 1 324.509 3.446 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927044 1097283262 /nfs/dbraw/zinc/28/32/62/1097283262.db2.gz CWEXDKJYRRBEFS-DSLXNQLJSA-N 2 1 317.477 3.111 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001173079387 1097325751 /nfs/dbraw/zinc/32/57/51/1097325751.db2.gz RMFJQJMZWGAXEM-ZDUSSCGKSA-N 2 1 318.383 3.400 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC001173112216 1097332546 /nfs/dbraw/zinc/33/25/46/1097332546.db2.gz STSOCGQXULYLJV-TVPLGVNVSA-N 2 1 317.477 3.188 20 0 DGADMP CC[NH+](CC)C1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001173113073 1097332592 /nfs/dbraw/zinc/33/25/92/1097332592.db2.gz HVVMLDKCWQMPJG-UHFFFAOYSA-N 3 1 304.482 3.176 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2c2ncccn2)CC1 ZINC001173117834 1097334357 /nfs/dbraw/zinc/33/43/57/1097334357.db2.gz ZIMGQYHUKLMIMQ-JCYILVPMSA-N 2 1 302.466 3.267 20 0 DGADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001173205215 1097379044 /nfs/dbraw/zinc/37/90/44/1097379044.db2.gz NYWNHTQRRWVPDK-XLIONFOSSA-N 2 1 324.468 3.257 20 0 DGADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001173205215 1097379048 /nfs/dbraw/zinc/37/90/48/1097379048.db2.gz NYWNHTQRRWVPDK-XLIONFOSSA-N 2 1 324.468 3.257 20 0 DGADMP CCSC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299913 1097402536 /nfs/dbraw/zinc/40/25/36/1097402536.db2.gz WZNKXRLHNSFKFV-DJIMGWMZSA-N 2 1 307.507 3.295 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)C1 ZINC001173276614 1097410068 /nfs/dbraw/zinc/41/00/68/1097410068.db2.gz JEDZEPFDBLFYHB-GSEOLPGOSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276614 1097410071 /nfs/dbraw/zinc/41/00/71/1097410071.db2.gz JEDZEPFDBLFYHB-GSEOLPGOSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)C1 ZINC001173276614 1097410077 /nfs/dbraw/zinc/41/00/77/1097410077.db2.gz JEDZEPFDBLFYHB-GSEOLPGOSA-N 2 1 320.521 3.245 20 0 DGADMP CC[N@H+]1CC[C@@H](N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001173349332 1097424853 /nfs/dbraw/zinc/42/48/53/1097424853.db2.gz GCMSWGSDPPZPRY-VAMGGRTRSA-N 2 1 309.457 3.112 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001173445895 1097449371 /nfs/dbraw/zinc/44/93/71/1097449371.db2.gz PBOQQNSJOJVOQI-AEFFLSMTSA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001173445895 1097449373 /nfs/dbraw/zinc/44/93/73/1097449373.db2.gz PBOQQNSJOJVOQI-AEFFLSMTSA-N 2 1 324.509 3.353 20 0 DGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284525 1097468706 /nfs/dbraw/zinc/46/87/06/1097468706.db2.gz JNZKUFKUAKWUCV-HNGSOEQISA-N 2 1 323.525 3.090 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173626537 1097475018 /nfs/dbraw/zinc/47/50/18/1097475018.db2.gz KARDLFQRWLEJAH-TVRKMHQQSA-N 2 1 324.509 3.162 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cccnc23)CC1 ZINC001231494213 1097763040 /nfs/dbraw/zinc/76/30/40/1097763040.db2.gz NJNPNQAJOPNWIJ-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ncc2[nH]1 ZINC001231668067 1097810393 /nfs/dbraw/zinc/81/03/93/1097810393.db2.gz KDYQFDOIWRLVTH-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP c1cc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ncc2[nH]1 ZINC001231668067 1097810398 /nfs/dbraw/zinc/81/03/98/1097810398.db2.gz KDYQFDOIWRLVTH-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001231666596 1097810674 /nfs/dbraw/zinc/81/06/74/1097810674.db2.gz OOYUYSNYZXMPGJ-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP CCOc1ncccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001231765202 1097835659 /nfs/dbraw/zinc/83/56/59/1097835659.db2.gz PKFUYPBDSQOTID-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808843 1097851723 /nfs/dbraw/zinc/85/17/23/1097851723.db2.gz XHSZRMJGAIWASS-IRXDYDNUSA-N 2 1 302.462 3.247 20 0 DGADMP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001174805465 1097857804 /nfs/dbraw/zinc/85/78/04/1097857804.db2.gz RTSLXRDCYUBKKE-VGRIIWOTSA-N 2 1 323.525 3.092 20 0 DGADMP CCCOc1ncccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001231863078 1097868737 /nfs/dbraw/zinc/86/87/37/1097868737.db2.gz MSVCNBCGOCMOLI-UHFFFAOYSA-N 2 1 319.493 3.423 20 0 DGADMP c1[nH]nc2c1cccc2C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231972895 1097903333 /nfs/dbraw/zinc/90/33/33/1097903333.db2.gz YVJZOUUTGODHJB-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP c1c(C[N@H+]2CC[C@H]2COCc2ccccc2)[nH]c2cc[nH+]cc12 ZINC001232014892 1097918329 /nfs/dbraw/zinc/91/83/29/1097918329.db2.gz WJBRVRIDCFLVBN-SFHVURJKSA-N 2 1 307.397 3.354 20 0 DGADMP c1c(C[N@@H+]2CC[C@H]2COCc2ccccc2)[nH]c2cc[nH+]cc12 ZINC001232014892 1097918335 /nfs/dbraw/zinc/91/83/35/1097918335.db2.gz WJBRVRIDCFLVBN-SFHVURJKSA-N 2 1 307.397 3.354 20 0 DGADMP c1c2ccncc2[nH]c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232093709 1097936294 /nfs/dbraw/zinc/93/62/94/1097936294.db2.gz YWUVZCVZQKXOMH-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP c1c2ccncc2[nH]c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232093709 1097936298 /nfs/dbraw/zinc/93/62/98/1097936298.db2.gz YWUVZCVZQKXOMH-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP Cc1ncncc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277610405 1097937208 /nfs/dbraw/zinc/93/72/08/1097937208.db2.gz SXTOUHIWZYJIMJ-RBUKOAKNSA-N 2 1 314.477 3.252 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC001232145843 1097949160 /nfs/dbraw/zinc/94/91/60/1097949160.db2.gz BUCCMUYPRPTHCH-SFHVURJKSA-N 2 1 313.420 3.272 20 0 DGADMP Cn1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(C2CC2)n1 ZINC001232175111 1097958161 /nfs/dbraw/zinc/95/81/61/1097958161.db2.gz WFRISAZNFSPKJQ-ZWKOTPCHSA-N 2 1 316.493 3.136 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(C2CC2)n1 ZINC001232175111 1097958166 /nfs/dbraw/zinc/95/81/66/1097958166.db2.gz WFRISAZNFSPKJQ-ZWKOTPCHSA-N 2 1 316.493 3.136 20 0 DGADMP Cn1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(C2CC2)n1 ZINC001232175111 1097958172 /nfs/dbraw/zinc/95/81/72/1097958172.db2.gz WFRISAZNFSPKJQ-ZWKOTPCHSA-N 2 1 316.493 3.136 20 0 DGADMP Cn1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(C2CC2)n1 ZINC001232175111 1097958178 /nfs/dbraw/zinc/95/81/78/1097958178.db2.gz WFRISAZNFSPKJQ-ZWKOTPCHSA-N 2 1 316.493 3.136 20 0 DGADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CC(F)F)CC2 ZINC001277645271 1097998535 /nfs/dbraw/zinc/99/85/35/1097998535.db2.gz NLFCUZXIPFJCKF-UHFFFAOYSA-N 2 1 315.433 3.005 20 0 DGADMP OCCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001232778066 1098130866 /nfs/dbraw/zinc/13/08/66/1098130866.db2.gz RTJWCKUKEWKFSI-FQEVSTJZSA-N 2 1 316.489 3.062 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232866478 1098156552 /nfs/dbraw/zinc/15/65/52/1098156552.db2.gz NICKKNUUKZRQLQ-UHFFFAOYSA-N 2 1 315.461 3.426 20 0 DGADMP Cc1cn2cc(Nc3ccc(OCC[NH+](C)C)cc3)ccc2[nH+]1 ZINC001176224051 1098288244 /nfs/dbraw/zinc/28/82/44/1098288244.db2.gz ORLFAJBUSUINJR-UHFFFAOYSA-N 2 1 310.401 3.327 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N)cc2Cl)CC1 ZINC001233375914 1098306949 /nfs/dbraw/zinc/30/69/49/1098306949.db2.gz IEMDPCOPFPHCSV-UHFFFAOYSA-N 2 1 309.885 3.474 20 0 DGADMP CO[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263201 1098309032 /nfs/dbraw/zinc/30/90/32/1098309032.db2.gz RAJRAVHLFLFYRL-FYQPLNBISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263201 1098309037 /nfs/dbraw/zinc/30/90/37/1098309037.db2.gz RAJRAVHLFLFYRL-FYQPLNBISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263201 1098309041 /nfs/dbraw/zinc/30/90/41/1098309041.db2.gz RAJRAVHLFLFYRL-FYQPLNBISA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1csc(Br)c1)CC2 ZINC001233414924 1098321015 /nfs/dbraw/zinc/32/10/15/1098321015.db2.gz RXFSIWGZLSKVKX-UHFFFAOYSA-N 2 1 315.280 3.038 20 0 DGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176759921 1098434090 /nfs/dbraw/zinc/43/40/90/1098434090.db2.gz OOKYLIVWUVECGS-QGZVFWFLSA-N 2 1 313.530 3.172 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CC(=O)OC)C[C@H]2CC1 ZINC001277820833 1098466659 /nfs/dbraw/zinc/46/66/59/1098466659.db2.gz HFAPFMQLEZRJQC-KURKYZTESA-N 2 1 324.509 3.020 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CC(=O)OC)C[C@H]2CC1 ZINC001277820833 1098466662 /nfs/dbraw/zinc/46/66/62/1098466662.db2.gz HFAPFMQLEZRJQC-KURKYZTESA-N 2 1 324.509 3.020 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](CC(=O)OC)C[C@H]2CC1 ZINC001277820833 1098466664 /nfs/dbraw/zinc/46/66/64/1098466664.db2.gz HFAPFMQLEZRJQC-KURKYZTESA-N 2 1 324.509 3.020 20 0 DGADMP C[NH+](C)C1(C[NH2+]C[C@H]2CCOc3ccccc32)CCCCC1 ZINC001177065614 1098470554 /nfs/dbraw/zinc/47/05/54/1098470554.db2.gz CFOKFOQPKXUNQG-MRXNPFEDSA-N 2 1 302.462 3.407 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177231568 1098498399 /nfs/dbraw/zinc/49/83/99/1098498399.db2.gz VVKYJKJAQMTEPR-MJGOQNOKSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001177231568 1098498404 /nfs/dbraw/zinc/49/84/04/1098498404.db2.gz VVKYJKJAQMTEPR-MJGOQNOKSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001177231568 1098498406 /nfs/dbraw/zinc/49/84/06/1098498406.db2.gz VVKYJKJAQMTEPR-MJGOQNOKSA-N 2 1 303.494 3.142 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001206308700 1098574113 /nfs/dbraw/zinc/57/41/13/1098574113.db2.gz GOUYUKPBXQLXLT-QGZVFWFLSA-N 2 1 308.853 3.027 20 0 DGADMP CC(C)n1c2ccccc2nc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC001177795278 1098616960 /nfs/dbraw/zinc/61/69/60/1098616960.db2.gz QTGPLLCWTGCTNX-OAHLLOKOSA-N 2 1 300.450 3.049 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311179 1098670308 /nfs/dbraw/zinc/67/03/08/1098670308.db2.gz KQCNVMHDFHGRTR-SFHVURJKSA-N 2 1 306.498 3.206 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1O ZINC001206317599 1098730644 /nfs/dbraw/zinc/73/06/44/1098730644.db2.gz HYLIUWKCNPKPJR-INIZCTEOSA-N 2 1 312.841 3.005 20 0 DGADMP COc1ccc(Oc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234978102 1098732071 /nfs/dbraw/zinc/73/20/71/1098732071.db2.gz GCWOHFOIDPIXKO-CALCHBBNSA-N 2 1 324.424 3.139 20 0 DGADMP COc1ccc(Oc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234978102 1098732077 /nfs/dbraw/zinc/73/20/77/1098732077.db2.gz GCWOHFOIDPIXKO-CALCHBBNSA-N 2 1 324.424 3.139 20 0 DGADMP CC1=CC[C@H](CC[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001235006612 1098746854 /nfs/dbraw/zinc/74/68/54/1098746854.db2.gz JIFZNVYXPQVPPW-MJGOQNOKSA-N 2 1 306.494 3.071 20 0 DGADMP CC(C)(CC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1)c1ccccc1 ZINC001235009147 1098751411 /nfs/dbraw/zinc/75/14/11/1098751411.db2.gz XQBGETPZASKEAR-FQEVSTJZSA-N 2 1 316.489 3.056 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccccc1)CC2 ZINC001235019056 1098753340 /nfs/dbraw/zinc/75/33/40/1098753340.db2.gz LFPQUPMMEOGEGJ-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccccc1)CC2 ZINC001235019056 1098753356 /nfs/dbraw/zinc/75/33/56/1098753356.db2.gz LFPQUPMMEOGEGJ-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP c1cc2c(cccc2C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001235023785 1098754182 /nfs/dbraw/zinc/75/41/82/1098754182.db2.gz XAUJHIIJCOXVJY-GOSISDBHSA-N 2 1 316.470 3.103 20 0 DGADMP c1cc2c(cccc2C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001235023785 1098754193 /nfs/dbraw/zinc/75/41/93/1098754193.db2.gz XAUJHIIJCOXVJY-GOSISDBHSA-N 2 1 316.470 3.103 20 0 DGADMP CCCCc1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022593 1098755791 /nfs/dbraw/zinc/75/57/91/1098755791.db2.gz OXPNLMJFHPHXOC-HXUWFJFHSA-N 2 1 316.489 3.231 20 0 DGADMP CCCCc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022593 1098755802 /nfs/dbraw/zinc/75/58/02/1098755802.db2.gz OXPNLMJFHPHXOC-HXUWFJFHSA-N 2 1 316.489 3.231 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025125 1098757207 /nfs/dbraw/zinc/75/72/07/1098757207.db2.gz WGTZEOZVSBLAAV-INIZCTEOSA-N 2 1 300.490 3.458 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235033230 1098762160 /nfs/dbraw/zinc/76/21/60/1098762160.db2.gz VYPNKCAYFHJANF-PZJWPPBQSA-N 2 1 322.452 3.368 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235033230 1098762172 /nfs/dbraw/zinc/76/21/72/1098762172.db2.gz VYPNKCAYFHJANF-PZJWPPBQSA-N 2 1 322.452 3.368 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235038398 1098765605 /nfs/dbraw/zinc/76/56/05/1098765605.db2.gz IZNJFJIJMYCTBU-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235038398 1098765617 /nfs/dbraw/zinc/76/56/17/1098765617.db2.gz IZNJFJIJMYCTBU-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](C3CC3)CC2)C1 ZINC001277921451 1098788663 /nfs/dbraw/zinc/78/86/63/1098788663.db2.gz DGNOTOUDLIWHID-UHFFFAOYSA-N 2 1 305.491 3.292 20 0 DGADMP FC1(F)CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235090098 1098792806 /nfs/dbraw/zinc/79/28/06/1098792806.db2.gz AQDLYRHQDZLCBK-GOSISDBHSA-N 2 1 320.427 3.386 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235094031 1098795626 /nfs/dbraw/zinc/79/56/26/1098795626.db2.gz WRPWZWGDTUVFHD-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001235092333 1098796828 /nfs/dbraw/zinc/79/68/28/1098796828.db2.gz MFVIOKSHLPYDRF-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(N4CCCC4)c3)C2)CC1 ZINC001235097231 1098798045 /nfs/dbraw/zinc/79/80/45/1098798045.db2.gz SNSHBWUBHVUWFF-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC001235104955 1098804217 /nfs/dbraw/zinc/80/42/17/1098804217.db2.gz YJEORFSDRHNNQM-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP CC(C)Oc1ncc(Cl)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235104555 1098806050 /nfs/dbraw/zinc/80/60/50/1098806050.db2.gz SSUFNEACCMULCL-UHFFFAOYSA-N 2 1 323.868 3.098 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235111106 1098810733 /nfs/dbraw/zinc/81/07/33/1098810733.db2.gz OTOJQXKUWPLCCL-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235112284 1098813225 /nfs/dbraw/zinc/81/32/25/1098813225.db2.gz ZSJZCZPXWHOBRT-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235112284 1098813235 /nfs/dbraw/zinc/81/32/35/1098813235.db2.gz ZSJZCZPXWHOBRT-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126171 1098826090 /nfs/dbraw/zinc/82/60/90/1098826090.db2.gz SIEVCZWDZHOTPT-LJQANCHMSA-N 2 1 324.509 3.498 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126171 1098826108 /nfs/dbraw/zinc/82/61/08/1098826108.db2.gz SIEVCZWDZHOTPT-LJQANCHMSA-N 2 1 324.509 3.498 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128554 1098826159 /nfs/dbraw/zinc/82/61/59/1098826159.db2.gz HXXZKTUHPUIICR-UHFFFAOYSA-N 2 1 318.505 3.047 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128554 1098826172 /nfs/dbraw/zinc/82/61/72/1098826172.db2.gz HXXZKTUHPUIICR-UHFFFAOYSA-N 2 1 318.505 3.047 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235131307 1098829024 /nfs/dbraw/zinc/82/90/24/1098829024.db2.gz XSZSZWVDMLZLIV-ROUUACIJSA-N 2 1 323.440 3.257 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235140177 1098833277 /nfs/dbraw/zinc/83/32/77/1098833277.db2.gz FYVYQXZHWQLQHM-UHFFFAOYSA-N 2 1 312.379 3.466 20 0 DGADMP Fc1ccccc1-n1cccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235141736 1098834207 /nfs/dbraw/zinc/83/42/07/1098834207.db2.gz XKABIVVECJVXSO-UHFFFAOYSA-N 2 1 313.420 3.334 20 0 DGADMP Fc1ccccc1-n1cccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141736 1098834217 /nfs/dbraw/zinc/83/42/17/1098834217.db2.gz XKABIVVECJVXSO-UHFFFAOYSA-N 2 1 313.420 3.334 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC001235138620 1098834266 /nfs/dbraw/zinc/83/42/66/1098834266.db2.gz BOLXQKPVCWLUKI-GOSISDBHSA-N 2 1 321.468 3.016 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152376 1098837883 /nfs/dbraw/zinc/83/78/83/1098837883.db2.gz MKEUHVACOSCECT-SFHVURJKSA-N 2 1 324.509 3.354 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152365 1098838036 /nfs/dbraw/zinc/83/80/36/1098838036.db2.gz MIRMEJUTSTWXJT-GOSISDBHSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155058 1098838999 /nfs/dbraw/zinc/83/89/99/1098838999.db2.gz NDXFBZLLSBUILO-KRWDZBQOSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153233 1098840205 /nfs/dbraw/zinc/84/02/05/1098840205.db2.gz ISDLSWPCXUZYET-SFHVURJKSA-N 2 1 302.462 3.358 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235158076 1098844355 /nfs/dbraw/zinc/84/43/55/1098844355.db2.gz UHHCHZSXUICLKE-KRWDZBQOSA-N 2 1 306.425 3.188 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158043 1098844413 /nfs/dbraw/zinc/84/44/13/1098844413.db2.gz UBVSPKVTCNNNPD-IBGZPJMESA-N 2 1 302.462 3.363 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235160866 1098846883 /nfs/dbraw/zinc/84/68/83/1098846883.db2.gz ZWDLYLDEAGATKW-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP c1cn(CC[N@@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001277930561 1098876774 /nfs/dbraw/zinc/87/67/74/1098876774.db2.gz OICFERSHSMNLBI-LJQANCHMSA-N 2 1 316.493 3.004 20 0 DGADMP c1cn(CC[N@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001277930561 1098876785 /nfs/dbraw/zinc/87/67/85/1098876785.db2.gz OICFERSHSMNLBI-LJQANCHMSA-N 2 1 316.493 3.004 20 0 DGADMP c1cn(CC[NH+]2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)cn1 ZINC001277930561 1098876793 /nfs/dbraw/zinc/87/67/93/1098876793.db2.gz OICFERSHSMNLBI-LJQANCHMSA-N 2 1 316.493 3.004 20 0 DGADMP c1cn(CC[NH+]2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)cn1 ZINC001277930561 1098876802 /nfs/dbraw/zinc/87/68/02/1098876802.db2.gz OICFERSHSMNLBI-LJQANCHMSA-N 2 1 316.493 3.004 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3cccc(OCC4CCCCC4)c3)C[C@H]21 ZINC001235210589 1098881098 /nfs/dbraw/zinc/88/10/98/1098881098.db2.gz NVBVSQNXAPQHSR-BWTSREIZSA-N 2 1 300.446 3.035 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3cccc(OCC4CCCCC4)c3)C[C@H]21 ZINC001235210589 1098881112 /nfs/dbraw/zinc/88/11/12/1098881112.db2.gz NVBVSQNXAPQHSR-BWTSREIZSA-N 2 1 300.446 3.035 20 0 DGADMP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)ccc21 ZINC001235210017 1098881936 /nfs/dbraw/zinc/88/19/36/1098881936.db2.gz IRDVPEPIZXARSN-YRWFTTLQSA-N 2 1 305.425 3.203 20 0 DGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235224492 1098894402 /nfs/dbraw/zinc/89/44/02/1098894402.db2.gz MSBXLWCRXLDFOQ-KKUMJFAQSA-N 2 1 304.400 3.453 20 0 DGADMP COc1ncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1Cl ZINC001235236197 1098909182 /nfs/dbraw/zinc/90/91/82/1098909182.db2.gz CRVQGVCSPAPVGU-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235238737 1098911623 /nfs/dbraw/zinc/91/16/23/1098911623.db2.gz HSBHOCHXGAAAMY-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1ccc2[nH]c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235237900 1098912251 /nfs/dbraw/zinc/91/22/51/1098912251.db2.gz NSAKEWCBOQKJGG-OAHLLOKOSA-N 2 1 316.424 3.056 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248873 1098921954 /nfs/dbraw/zinc/92/19/54/1098921954.db2.gz ZOPCPMDFUWIFDU-JOZSIVFUSA-N 2 1 308.469 3.420 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235258242 1098929432 /nfs/dbraw/zinc/92/94/32/1098929432.db2.gz PPXDVYJBGJNQHU-FPOVZHCZSA-N 2 1 321.468 3.213 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235258242 1098929437 /nfs/dbraw/zinc/92/94/37/1098929437.db2.gz PPXDVYJBGJNQHU-FPOVZHCZSA-N 2 1 321.468 3.213 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])c2)cc1 ZINC001235256971 1098929506 /nfs/dbraw/zinc/92/95/06/1098929506.db2.gz VLHRXNKPGCVURZ-BJLQDIEVSA-N 2 1 308.425 3.284 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)cc1 ZINC001235257001 1098929679 /nfs/dbraw/zinc/92/96/79/1098929679.db2.gz VXSGTZSTMCYYLO-BJLQDIEVSA-N 2 1 308.425 3.284 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235261519 1098932920 /nfs/dbraw/zinc/93/29/20/1098932920.db2.gz ITGVPNGTEBDFPT-APWZRJJASA-N 2 1 302.462 3.274 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341212 1098963980 /nfs/dbraw/zinc/96/39/80/1098963980.db2.gz PHVANOZBUXIUTG-CQSZACIVSA-N 2 1 323.278 3.053 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc(C)c1Br ZINC001235342509 1098967531 /nfs/dbraw/zinc/96/75/31/1098967531.db2.gz WINROCFYUVNOLF-AWEZNQCLSA-N 2 1 323.278 3.107 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc1-2 ZINC001235265686 1098937531 /nfs/dbraw/zinc/93/75/31/1098937531.db2.gz DBDNQJYICOWIMM-LAUBAEHRSA-N 2 1 304.437 3.442 20 0 DGADMP Cn1c2ccccc2c(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1-c1ccccc1 ZINC001235284625 1098942888 /nfs/dbraw/zinc/94/28/88/1098942888.db2.gz OOTGTYZXXMOPKB-XEMDLRDOSA-N 2 1 317.436 3.234 20 0 DGADMP CCCCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853346 1098953303 /nfs/dbraw/zinc/95/33/03/1098953303.db2.gz HLHZFNJWNHNCPX-UHFFFAOYSA-N 2 1 313.530 3.173 20 0 DGADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891579 1098960923 /nfs/dbraw/zinc/96/09/23/1098960923.db2.gz UPRCYTFMBUYYIV-KSZLIROESA-N 2 1 323.525 3.019 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339973 1098962050 /nfs/dbraw/zinc/96/20/50/1098962050.db2.gz GIOAFNUMXBGYTJ-INIZCTEOSA-N 2 1 310.441 3.280 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)c2)cc1 ZINC001235338810 1098963352 /nfs/dbraw/zinc/96/33/52/1098963352.db2.gz CJSMLZCWSHICJB-LJQANCHMSA-N 2 1 322.452 3.404 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)o1 ZINC001235369396 1098984268 /nfs/dbraw/zinc/98/42/68/1098984268.db2.gz YNXTXMGNOPLYBJ-QUCCMNQESA-N 2 1 310.441 3.341 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)o1 ZINC001235369396 1098984279 /nfs/dbraw/zinc/98/42/79/1098984279.db2.gz YNXTXMGNOPLYBJ-QUCCMNQESA-N 2 1 310.441 3.341 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235380758 1098988023 /nfs/dbraw/zinc/98/80/23/1098988023.db2.gz KQMCJXBYPIKIQT-TZIWHRDSSA-N 2 1 321.468 3.022 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001235401604 1098997389 /nfs/dbraw/zinc/99/73/89/1098997389.db2.gz HJJNWZCKHOOQOD-RBUKOAKNSA-N 2 1 313.420 3.001 20 0 DGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403000 1098999491 /nfs/dbraw/zinc/99/94/91/1098999491.db2.gz ZDELFLTZYHEUTD-DLBZAZTESA-N 2 1 308.466 3.240 20 0 DGADMP CSc1cc(C)cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403000 1098999502 /nfs/dbraw/zinc/99/95/02/1098999502.db2.gz ZDELFLTZYHEUTD-DLBZAZTESA-N 2 1 308.466 3.240 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)cc21 ZINC001235407723 1099004000 /nfs/dbraw/zinc/00/40/00/1099004000.db2.gz TWGRYWUYETYUEZ-OALUTQOASA-N 2 1 315.436 3.185 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)cc21 ZINC001235407721 1099004178 /nfs/dbraw/zinc/00/41/78/1099004178.db2.gz TWGRYWUYETYUEZ-MOPGFXCFSA-N 2 1 315.436 3.185 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235409868 1099005938 /nfs/dbraw/zinc/00/59/38/1099005938.db2.gz XLNFFDYPRJYJCD-RBUKOAKNSA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235409868 1099005950 /nfs/dbraw/zinc/00/59/50/1099005950.db2.gz XLNFFDYPRJYJCD-RBUKOAKNSA-N 2 1 320.452 3.389 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1OC(C)C ZINC001235409324 1099006912 /nfs/dbraw/zinc/00/69/12/1099006912.db2.gz WKYHZJCWKFICFR-MOPGFXCFSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1OC(C)C ZINC001235409324 1099006926 /nfs/dbraw/zinc/00/69/26/1099006926.db2.gz WKYHZJCWKFICFR-MOPGFXCFSA-N 2 1 320.452 3.306 20 0 DGADMP COc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235421571 1099012397 /nfs/dbraw/zinc/01/23/97/1099012397.db2.gz BJWMWWOQZOGUGT-GJZGRUSLSA-N 2 1 306.425 3.046 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)n[nH]1 ZINC001235420792 1099014215 /nfs/dbraw/zinc/01/42/15/1099014215.db2.gz BDDCWTPTQAPSFR-RTBURBONSA-N 2 1 324.472 3.288 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424487 1099015757 /nfs/dbraw/zinc/01/57/57/1099015757.db2.gz IGSZOTYRPLDUOV-MSOLQXFVSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1ccc2n[nH]c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425318 1099016521 /nfs/dbraw/zinc/01/65/21/1099016521.db2.gz ITTQLCORIBAJEB-HZPDHXFCSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425318 1099016534 /nfs/dbraw/zinc/01/65/34/1099016534.db2.gz ITTQLCORIBAJEB-HZPDHXFCSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235425318 1099016546 /nfs/dbraw/zinc/01/65/46/1099016546.db2.gz ITTQLCORIBAJEB-HZPDHXFCSA-N 2 1 312.461 3.083 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427389 1099020218 /nfs/dbraw/zinc/02/02/18/1099020218.db2.gz RLQRZZMIUCTGRO-IAGOWNOFSA-N 2 1 302.462 3.215 20 0 DGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426115 1099020246 /nfs/dbraw/zinc/02/02/46/1099020246.db2.gz NHDKAWRIYDMPBH-ROUUACIJSA-N 3 1 307.526 3.010 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(C)c1O ZINC001235429743 1099024155 /nfs/dbraw/zinc/02/41/55/1099024155.db2.gz REUJRZIADPKJGZ-ZWKOTPCHSA-N 2 1 302.462 3.221 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)cc1O ZINC001235430306 1099024541 /nfs/dbraw/zinc/02/45/41/1099024541.db2.gz SAEXAWMBFWPPDH-DLBZAZTESA-N 2 1 302.462 3.221 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)cc1O ZINC001235430308 1099026442 /nfs/dbraw/zinc/02/64/42/1099026442.db2.gz SAEXAWMBFWPPDH-IAGOWNOFSA-N 2 1 302.462 3.221 20 0 DGADMP COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432321 1099028620 /nfs/dbraw/zinc/02/86/20/1099028620.db2.gz XASSGLKGNFQWSF-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431272 1099028802 /nfs/dbraw/zinc/02/88/02/1099028802.db2.gz ZGBPYDDSZIVNSG-DLBZAZTESA-N 2 1 302.462 3.215 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235433220 1099030511 /nfs/dbraw/zinc/03/05/11/1099030511.db2.gz YBHAQQBQJJDGLS-CABCVRRESA-N 2 1 307.869 3.255 20 0 DGADMP C[N@@H+](CCc1ccc(Cl)cc1Cl)CC1CC[NH2+]CC1 ZINC001235433625 1099030725 /nfs/dbraw/zinc/03/07/25/1099030725.db2.gz LLPOOURAXSBLNT-UHFFFAOYSA-N 2 1 301.261 3.467 20 0 DGADMP COc1ccc(OCc2ccccc2)c(C[N@H+](C)CCC[NH3+])c1 ZINC001235435523 1099035288 /nfs/dbraw/zinc/03/52/88/1099035288.db2.gz NEKXOXQQIWLDMP-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1ccc(OCc2ccccc2)c(C[N@@H+](C)CCC[NH3+])c1 ZINC001235435523 1099035300 /nfs/dbraw/zinc/03/53/00/1099035300.db2.gz NEKXOXQQIWLDMP-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235673647 1099115885 /nfs/dbraw/zinc/11/58/85/1099115885.db2.gz DUQNRLGAZPMRBS-GOSISDBHSA-N 2 1 314.473 3.228 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](CCC3C[NH2+]C3)C2)c1 ZINC001235675733 1099118226 /nfs/dbraw/zinc/11/82/26/1099118226.db2.gz SABCAOXEPGWZCD-HNNXBMFYSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235676091 1099118848 /nfs/dbraw/zinc/11/88/48/1099118848.db2.gz VNUKKJLHVNYEPN-HOTGVXAUSA-N 2 1 322.880 3.491 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235676091 1099118852 /nfs/dbraw/zinc/11/88/52/1099118852.db2.gz VNUKKJLHVNYEPN-HOTGVXAUSA-N 2 1 322.880 3.491 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2[C@@H](C)CNCC2(F)F)cc1 ZINC001235677424 1099120473 /nfs/dbraw/zinc/12/04/73/1099120473.db2.gz GYSKIQOLQGMDTR-XKQJLSEDSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677424 1099120476 /nfs/dbraw/zinc/12/04/76/1099120476.db2.gz GYSKIQOLQGMDTR-XKQJLSEDSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677424 1099120481 /nfs/dbraw/zinc/12/04/81/1099120481.db2.gz GYSKIQOLQGMDTR-XKQJLSEDSA-N 2 1 324.415 3.323 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001235678814 1099121907 /nfs/dbraw/zinc/12/19/07/1099121907.db2.gz GCLDUYAOGLFFEH-UHFFFAOYSA-N 2 1 322.321 3.415 20 0 DGADMP C[NH2+]CCC[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235688887 1099129259 /nfs/dbraw/zinc/12/92/59/1099129259.db2.gz UVRCBNMKNZHGOJ-HNNXBMFYSA-N 2 1 316.367 3.158 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235688887 1099129262 /nfs/dbraw/zinc/12/92/62/1099129262.db2.gz UVRCBNMKNZHGOJ-HNNXBMFYSA-N 2 1 316.367 3.158 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001235690069 1099130533 /nfs/dbraw/zinc/13/05/33/1099130533.db2.gz FTZFUDOBRTXVGH-DJIMGWMZSA-N 2 1 324.415 3.021 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001235690069 1099130537 /nfs/dbraw/zinc/13/05/37/1099130537.db2.gz FTZFUDOBRTXVGH-DJIMGWMZSA-N 2 1 324.415 3.021 20 0 DGADMP c1ccc(Cc2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235714517 1099141699 /nfs/dbraw/zinc/14/16/99/1099141699.db2.gz XQXOYWWVPNSXNP-UHFFFAOYSA-N 2 1 306.453 3.463 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235714517 1099141707 /nfs/dbraw/zinc/14/17/07/1099141707.db2.gz XQXOYWWVPNSXNP-UHFFFAOYSA-N 2 1 306.453 3.463 20 0 DGADMP C[NH+]1CCC(C2CCN(CCC[NH2+]C3CCCCC3)CC2)CC1 ZINC001235724065 1099147064 /nfs/dbraw/zinc/14/70/64/1099147064.db2.gz APUISJVWGXXBLA-UHFFFAOYSA-N 2 1 321.553 3.353 20 0 DGADMP COc1cccc([C@@H]2CCCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001235726031 1099148709 /nfs/dbraw/zinc/14/87/09/1099148709.db2.gz LWQBGAAGVZVRSF-WMZOPIPTSA-N 2 1 318.461 3.337 20 0 DGADMP COc1cccc([C@@H]2CCCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001235726031 1099148712 /nfs/dbraw/zinc/14/87/12/1099148712.db2.gz LWQBGAAGVZVRSF-WMZOPIPTSA-N 2 1 318.461 3.337 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730300 1099186717 /nfs/dbraw/zinc/18/67/17/1099186717.db2.gz VKKWAVIPRVANDS-JFIYKMOQSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001179730300 1099186722 /nfs/dbraw/zinc/18/67/22/1099186722.db2.gz VKKWAVIPRVANDS-JFIYKMOQSA-N 2 1 304.478 3.036 20 0 DGADMP C[N@H+](Cc1cccc(Oc2ccc(O)cc2)c1)C[C@H]1CC[NH2+]C1 ZINC001235839833 1099202529 /nfs/dbraw/zinc/20/25/29/1099202529.db2.gz AQGZAFHSTRXBFM-INIZCTEOSA-N 2 1 312.413 3.226 20 0 DGADMP Cc1cccc(CC[N@H+](C)Cc2cc3c(s2)C[NH2+]CC3)c1 ZINC001235838990 1099202829 /nfs/dbraw/zinc/20/28/29/1099202829.db2.gz FXFDOMXHOHUCFK-UHFFFAOYSA-N 2 1 300.471 3.377 20 0 DGADMP COc1ccc(CC[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001235840464 1099203000 /nfs/dbraw/zinc/20/30/00/1099203000.db2.gz MCQCUZILKSQABS-UHFFFAOYSA-N 2 1 316.470 3.077 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001235855459 1099216130 /nfs/dbraw/zinc/21/61/30/1099216130.db2.gz QAPGBLVVFLEPLQ-MSOLQXFVSA-N 2 1 313.489 3.108 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCC ZINC001179838804 1099216670 /nfs/dbraw/zinc/21/66/70/1099216670.db2.gz QPKTVYNADUCQEK-UHFFFAOYSA-N 2 1 313.530 3.175 20 0 DGADMP Cc1nc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc2s1 ZINC001235856800 1099219585 /nfs/dbraw/zinc/21/95/85/1099219585.db2.gz FIPVPVRQSIHOIH-QGZVFWFLSA-N 2 1 301.459 3.132 20 0 DGADMP Cc1nc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)ccc2s1 ZINC001235856800 1099219594 /nfs/dbraw/zinc/21/95/94/1099219594.db2.gz FIPVPVRQSIHOIH-QGZVFWFLSA-N 2 1 301.459 3.132 20 0 DGADMP Cc1nc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2s1 ZINC001235856800 1099219603 /nfs/dbraw/zinc/21/96/03/1099219603.db2.gz FIPVPVRQSIHOIH-QGZVFWFLSA-N 2 1 301.459 3.132 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2s1 ZINC001235856800 1099219611 /nfs/dbraw/zinc/21/96/11/1099219611.db2.gz FIPVPVRQSIHOIH-QGZVFWFLSA-N 2 1 301.459 3.132 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc21 ZINC001235935961 1099270260 /nfs/dbraw/zinc/27/02/60/1099270260.db2.gz FSYZDWDGMQFSAK-DLBZAZTESA-N 2 1 319.452 3.373 20 0 DGADMP COCC[N@@H+](Cc1c(C)ccc2ccccc21)C1CC[NH2+]CC1 ZINC001235942214 1099276930 /nfs/dbraw/zinc/27/69/30/1099276930.db2.gz CDFXTZMYYGRSGS-UHFFFAOYSA-N 2 1 312.457 3.349 20 0 DGADMP COCC[N@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH2+]CC1 ZINC001235942478 1099277521 /nfs/dbraw/zinc/27/75/21/1099277521.db2.gz DMLWSKXGUCOHIM-UHFFFAOYSA-N 2 1 304.478 3.185 20 0 DGADMP COCC[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH2+]CC1 ZINC001235942478 1099277531 /nfs/dbraw/zinc/27/75/31/1099277531.db2.gz DMLWSKXGUCOHIM-UHFFFAOYSA-N 2 1 304.478 3.185 20 0 DGADMP CCN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947828 1099280322 /nfs/dbraw/zinc/28/03/22/1099280322.db2.gz GRIMLRMQWGJYRB-LEWJYISDSA-N 2 1 323.484 3.283 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001235949841 1099282305 /nfs/dbraw/zinc/28/23/05/1099282305.db2.gz UUQJOVXHCSQIBO-FZMZJTMJSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC001235949841 1099282314 /nfs/dbraw/zinc/28/23/14/1099282314.db2.gz UUQJOVXHCSQIBO-FZMZJTMJSA-N 2 1 314.807 3.189 20 0 DGADMP Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)c(C)c1 ZINC001235948796 1099282592 /nfs/dbraw/zinc/28/25/92/1099282592.db2.gz VSSKENDRQKTMEK-UHFFFAOYSA-N 2 1 321.468 3.229 20 0 DGADMP Fc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235949528 1099283200 /nfs/dbraw/zinc/28/32/00/1099283200.db2.gz NVOYWIDHONPFAY-LJQANCHMSA-N 2 1 310.416 3.461 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235949336 1099283472 /nfs/dbraw/zinc/28/34/72/1099283472.db2.gz FCKWYCNEHXUEHB-VNQPRFMTSA-N 2 1 300.437 3.379 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235949336 1099283476 /nfs/dbraw/zinc/28/34/76/1099283476.db2.gz FCKWYCNEHXUEHB-VNQPRFMTSA-N 2 1 300.437 3.379 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235956173 1099286646 /nfs/dbraw/zinc/28/66/46/1099286646.db2.gz AKCVOJZOJLVEDZ-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP CCCCOc1ncc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1C ZINC001235956721 1099287685 /nfs/dbraw/zinc/28/76/85/1099287685.db2.gz GMLWEVRKDZALMT-INIZCTEOSA-N 2 1 305.466 3.000 20 0 DGADMP CCCCOc1ncc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1C ZINC001235956721 1099287694 /nfs/dbraw/zinc/28/76/94/1099287694.db2.gz GMLWEVRKDZALMT-INIZCTEOSA-N 2 1 305.466 3.000 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957002 1099288667 /nfs/dbraw/zinc/28/86/67/1099288667.db2.gz JJHWEBFPXYYKOZ-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957002 1099288674 /nfs/dbraw/zinc/28/86/74/1099288674.db2.gz JJHWEBFPXYYKOZ-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958775 1099292745 /nfs/dbraw/zinc/29/27/45/1099292745.db2.gz DRBOZKPADCGSTH-SCAQPMJSSA-N 2 1 313.470 3.288 20 0 DGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001235962788 1099294026 /nfs/dbraw/zinc/29/40/26/1099294026.db2.gz QHGUOFGHBMQTIA-CVEARBPZSA-N 2 1 300.462 3.341 20 0 DGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235962788 1099294029 /nfs/dbraw/zinc/29/40/29/1099294029.db2.gz QHGUOFGHBMQTIA-CVEARBPZSA-N 2 1 300.462 3.341 20 0 DGADMP CCC[N@@H+](CCC1C[NH2+]C1)Cc1cccc(Br)c1 ZINC001235961768 1099294970 /nfs/dbraw/zinc/29/49/70/1099294970.db2.gz FQSMAOVHIUUWRV-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c1NCC2 ZINC001235971860 1099300776 /nfs/dbraw/zinc/30/07/76/1099300776.db2.gz BGDKEJUQPUFZMW-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2c1NCC2 ZINC001235971860 1099300784 /nfs/dbraw/zinc/30/07/84/1099300784.db2.gz BGDKEJUQPUFZMW-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2c1NCC2 ZINC001235971860 1099300799 /nfs/dbraw/zinc/30/07/99/1099300799.db2.gz BGDKEJUQPUFZMW-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@H](C)CC ZINC001180118137 1099320248 /nfs/dbraw/zinc/32/02/48/1099320248.db2.gz XRALOWTVYIANIB-QGZVFWFLSA-N 2 1 313.530 3.031 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1F ZINC001236012339 1099335227 /nfs/dbraw/zinc/33/52/27/1099335227.db2.gz IKPNJEKNSPRXSY-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1F ZINC001236012339 1099335238 /nfs/dbraw/zinc/33/52/38/1099335238.db2.gz IKPNJEKNSPRXSY-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)c1ccccc1 ZINC001236011906 1099335783 /nfs/dbraw/zinc/33/57/83/1099335783.db2.gz DJEJTNHQMZYNPI-WMQCIHAUSA-N 2 1 306.453 3.263 20 0 DGADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236080019 1099374829 /nfs/dbraw/zinc/37/48/29/1099374829.db2.gz PNYOGGFYFRXEFR-LLHWWHOWSA-N 2 1 307.526 3.258 20 0 DGADMP CC1(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]CC1 ZINC001236086331 1099379655 /nfs/dbraw/zinc/37/96/55/1099379655.db2.gz HNAQQYCSBSHANX-UHFFFAOYSA-N 2 1 312.379 3.453 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236100896 1099388317 /nfs/dbraw/zinc/38/83/17/1099388317.db2.gz KEHIHGQKFKIFIL-BBRMVZONSA-N 2 1 312.404 3.008 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236100896 1099388328 /nfs/dbraw/zinc/38/83/28/1099388328.db2.gz KEHIHGQKFKIFIL-BBRMVZONSA-N 2 1 312.404 3.008 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(COc3ccccc3)cc2)CCC[NH2+]1 ZINC001236100049 1099388630 /nfs/dbraw/zinc/38/86/30/1099388630.db2.gz BSBYNFWNUOANTQ-KRWDZBQOSA-N 2 1 310.441 3.449 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(COc3ccccc3)cc2)CCC[NH2+]1 ZINC001236100049 1099388643 /nfs/dbraw/zinc/38/86/43/1099388643.db2.gz BSBYNFWNUOANTQ-KRWDZBQOSA-N 2 1 310.441 3.449 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236113943 1099402186 /nfs/dbraw/zinc/40/21/86/1099402186.db2.gz WDXGUOAHCBWOMY-UHFFFAOYSA-N 2 1 324.468 3.105 20 0 DGADMP CCCC[C@@H]1CN(Cc2ccccc2-n2cc[nH+]c2C)CC[NH2+]1 ZINC001236138184 1099425121 /nfs/dbraw/zinc/42/51/21/1099425121.db2.gz GCQLBZCRNFPGDR-GOSISDBHSA-N 2 1 312.461 3.145 20 0 DGADMP CCC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001236183176 1099452715 /nfs/dbraw/zinc/45/27/15/1099452715.db2.gz WNFDHLNTFQRHLH-UHFFFAOYSA-N 2 1 316.367 3.375 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236222655 1099479959 /nfs/dbraw/zinc/47/99/59/1099479959.db2.gz KDFJPSKUYQJVIB-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236221870 1099480115 /nfs/dbraw/zinc/48/01/15/1099480115.db2.gz HVJIWAWRMANHEO-HDJSIYSDSA-N 2 1 311.267 3.459 20 0 DGADMP COc1cc(C)cc(F)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001236224241 1099481551 /nfs/dbraw/zinc/48/15/51/1099481551.db2.gz XSBSUWTVORRZRF-UHFFFAOYSA-N 2 1 311.360 3.144 20 0 DGADMP Cc1csc2nc(C)c(C[N@H+]3CCCC34CC[NH+](C)CC4)n12 ZINC001180885293 1099511601 /nfs/dbraw/zinc/51/16/01/1099511601.db2.gz OTCUFUQOQBLTJZ-UHFFFAOYSA-N 2 1 318.490 3.073 20 0 DGADMP Cc1csc2nc(C)c(C[N@@H+]3CCCC34CC[NH+](C)CC4)n12 ZINC001180885293 1099511615 /nfs/dbraw/zinc/51/16/15/1099511615.db2.gz OTCUFUQOQBLTJZ-UHFFFAOYSA-N 2 1 318.490 3.073 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001236305044 1099524875 /nfs/dbraw/zinc/52/48/75/1099524875.db2.gz RKNLFGKEFIJZRO-MJGOQNOKSA-N 2 1 316.489 3.339 20 0 DGADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(-c2ccncc2)c1 ZINC001236314390 1099529222 /nfs/dbraw/zinc/52/92/22/1099529222.db2.gz CPNLDBVOCJSWLM-BGYRXZFFSA-N 2 1 307.441 3.180 20 0 DGADMP Fc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315000 1099530641 /nfs/dbraw/zinc/53/06/41/1099530641.db2.gz JGINHVXHCPSKHL-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320950 1099534751 /nfs/dbraw/zinc/53/47/51/1099534751.db2.gz IOASJVDESIEMNU-BETUJISGSA-N 2 1 310.894 3.493 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321316 1099535621 /nfs/dbraw/zinc/53/56/21/1099535621.db2.gz HZLBNBOLYHYEKW-CALCHBBNSA-N 2 1 302.462 3.214 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C ZINC001236321450 1099536523 /nfs/dbraw/zinc/53/65/23/1099536523.db2.gz MRUOIJDBNCSRTL-HDICACEKSA-N 2 1 317.477 3.000 20 0 DGADMP CCOC(C)(C)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236369036 1099555821 /nfs/dbraw/zinc/55/58/21/1099555821.db2.gz YDBGZJIEAYLDKK-UHFFFAOYSA-N 2 1 308.441 3.195 20 0 DGADMP CCOC(C)(C)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236369036 1099555830 /nfs/dbraw/zinc/55/58/30/1099555830.db2.gz YDBGZJIEAYLDKK-UHFFFAOYSA-N 2 1 308.441 3.195 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1NCC2 ZINC001236377321 1099563413 /nfs/dbraw/zinc/56/34/13/1099563413.db2.gz ZCCWDCTZJDOQKV-QGZVFWFLSA-N 2 1 313.489 3.399 20 0 DGADMP Cc1cnc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(C)c1 ZINC001236376314 1099563635 /nfs/dbraw/zinc/56/36/35/1099563635.db2.gz RWHXOUMGZQATCT-KRWDZBQOSA-N 2 1 301.478 3.443 20 0 DGADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1O ZINC001236375989 1099564296 /nfs/dbraw/zinc/56/42/96/1099564296.db2.gz OCWHDJSQMGWIEF-KRWDZBQOSA-N 2 1 302.462 3.445 20 0 DGADMP [NH3+]CCCCCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383830 1099566239 /nfs/dbraw/zinc/56/62/39/1099566239.db2.gz XXISOBHJTLFGTC-UHFFFAOYSA-N 3 1 321.484 3.146 20 0 DGADMP CC[N@H+](Cc1ccc2cc(N(C)C)ccc2c1)C[C@H]1CC[NH2+]C1 ZINC001236409012 1099581726 /nfs/dbraw/zinc/58/17/26/1099581726.db2.gz RBEVNWITXNBDDA-KRWDZBQOSA-N 2 1 311.473 3.337 20 0 DGADMP CC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407863 1099582379 /nfs/dbraw/zinc/58/23/79/1099582379.db2.gz IXQJYBXORZQHKW-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407813 1099582952 /nfs/dbraw/zinc/58/29/52/1099582952.db2.gz HYLMJPPVWVMRIF-LLVKDONJSA-N 2 1 320.330 3.156 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407813 1099582965 /nfs/dbraw/zinc/58/29/65/1099582965.db2.gz HYLMJPPVWVMRIF-LLVKDONJSA-N 2 1 320.330 3.156 20 0 DGADMP CCCCOc1ncc(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)cc1C ZINC001236409536 1099583921 /nfs/dbraw/zinc/58/39/21/1099583921.db2.gz BJJORDGQEKRMFW-MRXNPFEDSA-N 2 1 305.466 3.000 20 0 DGADMP CCCCOc1ncc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1C ZINC001236409536 1099583929 /nfs/dbraw/zinc/58/39/29/1099583929.db2.gz BJJORDGQEKRMFW-MRXNPFEDSA-N 2 1 305.466 3.000 20 0 DGADMP COc1ccc(C2=CC[N@H+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236410675 1099583961 /nfs/dbraw/zinc/58/39/61/1099583961.db2.gz IODXCZGPDWLVCC-SFHVURJKSA-N 2 1 300.446 3.317 20 0 DGADMP COc1ccc(C2=CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236410675 1099583970 /nfs/dbraw/zinc/58/39/70/1099583970.db2.gz IODXCZGPDWLVCC-SFHVURJKSA-N 2 1 300.446 3.317 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236410289 1099584452 /nfs/dbraw/zinc/58/44/52/1099584452.db2.gz YEYNUPKFECNFRA-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C[N@@H+](CC2CCCC2)C2CC[NH2+]CC2)cc1 ZINC001236439441 1099613566 /nfs/dbraw/zinc/61/35/66/1099613566.db2.gz GAISDAJRBVXDSL-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2nsnc2c1)C1CC[NH2+]CC1 ZINC001236458040 1099621769 /nfs/dbraw/zinc/62/17/69/1099621769.db2.gz PURAADJHUPAQKB-UHFFFAOYSA-N 2 1 318.490 3.291 20 0 DGADMP CCOCC[N@@H+](Cc1c(C)cc(C)cc1C)C1CC[NH2+]CC1 ZINC001236461491 1099624666 /nfs/dbraw/zinc/62/46/66/1099624666.db2.gz YCADBCQVCFZRJG-UHFFFAOYSA-N 2 1 304.478 3.202 20 0 DGADMP [NH3+]Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001236475421 1099633452 /nfs/dbraw/zinc/63/34/52/1099633452.db2.gz RXEYTRHTWMSJGC-UXHICEINSA-N 2 1 305.425 3.361 20 0 DGADMP Cc1cccc(C[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)C2CC2)c1C ZINC001236535646 1099669198 /nfs/dbraw/zinc/66/91/98/1099669198.db2.gz YGPMTFGNNPHMOL-KRWDZBQOSA-N 2 1 302.462 3.382 20 0 DGADMP Cc1cccc(C[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)C2CC2)c1C ZINC001236535646 1099669202 /nfs/dbraw/zinc/66/92/02/1099669202.db2.gz YGPMTFGNNPHMOL-KRWDZBQOSA-N 2 1 302.462 3.382 20 0 DGADMP [NH3+]Cc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542945 1099672683 /nfs/dbraw/zinc/67/26/83/1099672683.db2.gz YDSKHYVROBHFEL-WGSAOQKQSA-N 3 1 301.478 3.017 20 0 DGADMP CC(C)C[N@@H+](Cc1c(F)ccc(N)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550964 1099677302 /nfs/dbraw/zinc/67/73/02/1099677302.db2.gz GCYNMBVDBXGVEC-JOCQHMNTSA-N 2 1 311.420 3.275 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc(Cl)nc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554480 1099677440 /nfs/dbraw/zinc/67/74/40/1099677440.db2.gz GXAWANUUFNXZDQ-HDJSIYSDSA-N 2 1 310.873 3.045 20 0 DGADMP CC(C)C[N@@H+](Cc1[nH]nc2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550982 1099677564 /nfs/dbraw/zinc/67/75/64/1099677564.db2.gz GRRSNLXJBHUCPR-SHTZXODSSA-N 2 1 318.440 3.430 20 0 DGADMP CC(C)C[N@H+](Cc1n[nH]c2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550982 1099677573 /nfs/dbraw/zinc/67/75/73/1099677573.db2.gz GRRSNLXJBHUCPR-SHTZXODSSA-N 2 1 318.440 3.430 20 0 DGADMP CC(C)C[N@@H+](Cc1n[nH]c2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550982 1099677578 /nfs/dbraw/zinc/67/75/78/1099677578.db2.gz GRRSNLXJBHUCPR-SHTZXODSSA-N 2 1 318.440 3.430 20 0 DGADMP COc1cccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236565710 1099680470 /nfs/dbraw/zinc/68/04/70/1099680470.db2.gz NSSQIWFQMMUXBJ-RZDIXWSQSA-N 2 1 317.477 3.495 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC001236565445 1099680996 /nfs/dbraw/zinc/68/09/96/1099680996.db2.gz GQDRKXUMUMOBPX-ZHALLVOQSA-N 3 1 307.526 3.423 20 0 DGADMP Fc1cccc2cc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)[nH]c21 ZINC001236599814 1099694754 /nfs/dbraw/zinc/69/47/54/1099694754.db2.gz DSXKUEIUBNPGQK-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP Fc1cccc2cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)[nH]c21 ZINC001236599814 1099694756 /nfs/dbraw/zinc/69/47/56/1099694756.db2.gz DSXKUEIUBNPGQK-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP COc1cc(C)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(C)c1 ZINC001236599145 1099695814 /nfs/dbraw/zinc/69/58/14/1099695814.db2.gz RFWUXMPIMJGNFW-MRXNPFEDSA-N 2 1 302.462 3.276 20 0 DGADMP CCOc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC001236600745 1099697200 /nfs/dbraw/zinc/69/72/00/1099697200.db2.gz IVHCXPZROCAMEE-HNNXBMFYSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC001236600745 1099697205 /nfs/dbraw/zinc/69/72/05/1099697205.db2.gz IVHCXPZROCAMEE-HNNXBMFYSA-N 2 1 306.425 3.188 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236614731 1099704575 /nfs/dbraw/zinc/70/45/75/1099704575.db2.gz BCGOZCOZBZCDJK-OAHLLOKOSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236614731 1099704585 /nfs/dbraw/zinc/70/45/85/1099704585.db2.gz BCGOZCOZBZCDJK-OAHLLOKOSA-N 2 1 311.267 3.237 20 0 DGADMP CCOc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236637479 1099714865 /nfs/dbraw/zinc/71/48/65/1099714865.db2.gz QNPGKLUURJERBO-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP CCOc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236637479 1099714876 /nfs/dbraw/zinc/71/48/76/1099714876.db2.gz QNPGKLUURJERBO-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP COc1ccc2sc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2c1 ZINC001236656866 1099728019 /nfs/dbraw/zinc/72/80/19/1099728019.db2.gz DVHXBZYOJXIILA-HIFRSBDPSA-N 2 1 316.470 3.293 20 0 DGADMP COc1ccc2sc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cc2c1 ZINC001236656866 1099728028 /nfs/dbraw/zinc/72/80/28/1099728028.db2.gz DVHXBZYOJXIILA-HIFRSBDPSA-N 2 1 316.470 3.293 20 0 DGADMP COc1ccc2sc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2c1 ZINC001236656866 1099728039 /nfs/dbraw/zinc/72/80/39/1099728039.db2.gz DVHXBZYOJXIILA-HIFRSBDPSA-N 2 1 316.470 3.293 20 0 DGADMP Cc1ccc(C[N@@H+](Cc2cccc(N)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236726417 1099760310 /nfs/dbraw/zinc/76/03/10/1099760310.db2.gz KUWSMTDNTZWYCQ-UAPYVXQJSA-N 2 1 324.472 3.244 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@@H]2CCCCN2)CC1 ZINC001236754525 1099772664 /nfs/dbraw/zinc/77/26/64/1099772664.db2.gz HGCZOBDYGAJMJI-FHWLQOOXSA-N 2 1 307.526 3.281 20 0 DGADMP [NH3+][C@H]1CC[C@H](N(CC2CCCCC2)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236754525 1099772668 /nfs/dbraw/zinc/77/26/68/1099772668.db2.gz HGCZOBDYGAJMJI-FHWLQOOXSA-N 2 1 307.526 3.281 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1nc(Cl)ccc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768103 1099776747 /nfs/dbraw/zinc/77/67/47/1099776747.db2.gz RJVQEFKVRWJUHE-JOCQHMNTSA-N 2 1 324.900 3.435 20 0 DGADMP CCC(CC)[N@@H+](Cc1cccc(C[NH3+])c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790852 1099788212 /nfs/dbraw/zinc/78/82/12/1099788212.db2.gz LNQISVSSSPEDRX-UAPYVXQJSA-N 3 1 303.494 3.406 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236817222 1099806401 /nfs/dbraw/zinc/80/64/01/1099806401.db2.gz AKODBMBVAAAZNN-AEGPPILISA-N 2 1 314.351 3.063 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)c1Br ZINC001236825796 1099812422 /nfs/dbraw/zinc/81/24/22/1099812422.db2.gz APUSSXYEMQVNFE-SOUVJXGZSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)c1Br ZINC001236825796 1099812427 /nfs/dbraw/zinc/81/24/27/1099812427.db2.gz APUSSXYEMQVNFE-SOUVJXGZSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1OC(C)C ZINC001236829924 1099814895 /nfs/dbraw/zinc/81/48/95/1099814895.db2.gz LRHAQNDXNSVTQK-RCCFBDPRSA-N 2 1 302.462 3.260 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C(C)C ZINC001236831977 1099816615 /nfs/dbraw/zinc/81/66/15/1099816615.db2.gz SLYLGJVUKLHUTB-BMGDILEWSA-N 2 1 302.462 3.296 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cc4ccccc4)cc3)C[C@H]12 ZINC001236832032 1099817824 /nfs/dbraw/zinc/81/78/24/1099817824.db2.gz SWUUHYCCYZSQHZ-PCCBWWKXSA-N 2 1 306.453 3.447 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@H]12 ZINC001236832359 1099817981 /nfs/dbraw/zinc/81/79/81/1099817981.db2.gz VDYYOSMUPDEDEB-YZGWKJHDSA-N 2 1 308.425 3.228 20 0 DGADMP CCC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236844049 1099829433 /nfs/dbraw/zinc/82/94/33/1099829433.db2.gz SLMOMGNCBGWQIO-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP CCC[N@H+](Cc1[nH]nc2cc(Cl)ccc21)C[C@H]1CC[NH2+]C1 ZINC001236845109 1099830009 /nfs/dbraw/zinc/83/00/09/1099830009.db2.gz YRXFQXQIJJKZTM-LBPRGKRZSA-N 2 1 306.841 3.038 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001236850163 1099834682 /nfs/dbraw/zinc/83/46/82/1099834682.db2.gz ZJICZJDNZFBQTA-UHFFFAOYSA-N 3 1 315.505 3.029 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001236850163 1099834693 /nfs/dbraw/zinc/83/46/93/1099834693.db2.gz ZJICZJDNZFBQTA-UHFFFAOYSA-N 2 1 315.505 3.029 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001278021493 1099845589 /nfs/dbraw/zinc/84/55/89/1099845589.db2.gz KXSPUDQDGOSWKL-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCCC4(CCC4)C3)c2)CC1 ZINC001236892823 1099855328 /nfs/dbraw/zinc/85/53/28/1099855328.db2.gz GJAKUSLCRLYNFR-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP Cc1ccccc1C[N@@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236898832 1099861099 /nfs/dbraw/zinc/86/10/99/1099861099.db2.gz PJPUSRZEBGZNNM-UHFFFAOYSA-N 2 1 323.484 3.379 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001236914103 1099874189 /nfs/dbraw/zinc/87/41/89/1099874189.db2.gz QEIODGRLJLNEAA-ZIAGYGMSSA-N 2 1 319.836 3.119 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@H]1O ZINC001236913250 1099874409 /nfs/dbraw/zinc/87/44/09/1099874409.db2.gz JPSVTPKLLRWTFW-CXAGYDPISA-N 2 1 319.836 3.119 20 0 DGADMP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965496 1099892732 /nfs/dbraw/zinc/89/27/32/1099892732.db2.gz CSOIUAARGQNQLW-HZPDHXFCSA-N 2 1 319.468 3.340 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236971543 1099896667 /nfs/dbraw/zinc/89/66/67/1099896667.db2.gz FLHQVNMBGTWNDP-QGZVFWFLSA-N 2 1 319.468 3.342 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236971543 1099896680 /nfs/dbraw/zinc/89/66/80/1099896680.db2.gz FLHQVNMBGTWNDP-QGZVFWFLSA-N 2 1 319.468 3.342 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)ccc2O1 ZINC001237056095 1099948565 /nfs/dbraw/zinc/94/85/65/1099948565.db2.gz GNGHOXKDIGLCIA-IBGZPJMESA-N 2 1 302.462 3.351 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001237056032 1099948789 /nfs/dbraw/zinc/94/87/89/1099948789.db2.gz FQLVQZZGIVTAGV-OAHLLOKOSA-N 2 1 316.367 3.454 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001237057368 1099949321 /nfs/dbraw/zinc/94/93/21/1099949321.db2.gz LBMISOABVLXCEA-SFHVURJKSA-N 2 1 301.409 3.177 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001237057368 1099949335 /nfs/dbraw/zinc/94/93/35/1099949335.db2.gz LBMISOABVLXCEA-SFHVURJKSA-N 2 1 301.409 3.177 20 0 DGADMP Brc1ccc(C2=CC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC001237204005 1100031426 /nfs/dbraw/zinc/03/14/26/1100031426.db2.gz JSTOXEJPFDLJHV-ZDUSSCGKSA-N 2 1 321.262 3.148 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC001237231501 1100042132 /nfs/dbraw/zinc/04/21/32/1100042132.db2.gz HTWYOEKGMUBCOI-NVXWUHKLSA-N 2 1 307.869 3.443 20 0 DGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237257998 1100050124 /nfs/dbraw/zinc/05/01/24/1100050124.db2.gz JOKSDWYFRFUJLN-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)F)c(OC)c1 ZINC001237279194 1100056172 /nfs/dbraw/zinc/05/61/72/1100056172.db2.gz GYLFPCVNNVOKQS-UHFFFAOYSA-N 2 1 300.393 3.406 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)F)c(OC)c1 ZINC001237279194 1100056174 /nfs/dbraw/zinc/05/61/74/1100056174.db2.gz GYLFPCVNNVOKQS-UHFFFAOYSA-N 2 1 300.393 3.406 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001237309740 1100070114 /nfs/dbraw/zinc/07/01/14/1100070114.db2.gz HJBACVQOOJHFHY-KDURUIRLSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC001237309740 1100070119 /nfs/dbraw/zinc/07/01/19/1100070119.db2.gz HJBACVQOOJHFHY-KDURUIRLSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC001237309740 1100070126 /nfs/dbraw/zinc/07/01/26/1100070126.db2.gz HJBACVQOOJHFHY-KDURUIRLSA-N 2 1 322.452 3.356 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCNc4ccccc43)CC2)C1 ZINC001237318107 1100075093 /nfs/dbraw/zinc/07/50/93/1100075093.db2.gz CMBSGDJBKNYIKW-KRWDZBQOSA-N 2 1 313.489 3.178 20 0 DGADMP CCc1cccc(C)c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001237327364 1100079402 /nfs/dbraw/zinc/07/94/02/1100079402.db2.gz QXYWRNAHWTUJBM-UHFFFAOYSA-N 2 1 315.461 3.187 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380232 1100098652 /nfs/dbraw/zinc/09/86/52/1100098652.db2.gz GILKJFBJVNXOGV-ROUUACIJSA-N 2 1 324.509 3.354 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237379915 1100099003 /nfs/dbraw/zinc/09/90/03/1100099003.db2.gz DPUVWBNCZGMNHT-ZBFHGGJFSA-N 2 1 312.379 3.322 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)c1C ZINC001237390483 1100104574 /nfs/dbraw/zinc/10/45/74/1100104574.db2.gz IRUCJSJHTSVVDJ-FUHWJXTLSA-N 2 1 302.462 3.194 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(-c2ccncc2)c1 ZINC001237393410 1100106390 /nfs/dbraw/zinc/10/63/90/1100106390.db2.gz SDZJSCKTBUIHQI-PMACEKPBSA-N 2 1 307.441 3.323 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237401631 1100111132 /nfs/dbraw/zinc/11/11/32/1100111132.db2.gz DVIDFJCFHOPNAW-GDBMZVCRSA-N 2 1 313.470 3.384 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237401631 1100111137 /nfs/dbraw/zinc/11/11/37/1100111137.db2.gz DVIDFJCFHOPNAW-GDBMZVCRSA-N 2 1 313.470 3.384 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237405479 1100113803 /nfs/dbraw/zinc/11/38/03/1100113803.db2.gz QRVKBFKWKLXQBX-SJLPKXTDSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237405479 1100113810 /nfs/dbraw/zinc/11/38/10/1100113810.db2.gz QRVKBFKWKLXQBX-SJLPKXTDSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1c(Cl)cccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001237733947 1100231697 /nfs/dbraw/zinc/23/16/97/1100231697.db2.gz PFFDTABPQPPYMU-UHFFFAOYSA-N 2 1 321.852 3.278 20 0 DGADMP CCc1ncc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)s1 ZINC001237826835 1100260274 /nfs/dbraw/zinc/26/02/74/1100260274.db2.gz YCXABHPYFWMCNX-UHFFFAOYSA-N 2 1 316.474 3.148 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC(=O)[C@@H](C)CC3)cc21 ZINC001237881477 1100280076 /nfs/dbraw/zinc/28/00/76/1100280076.db2.gz SYINECJOQVBRNF-HNNXBMFYSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC(=O)[C@@H](C)CC3)cc21 ZINC001237881477 1100280084 /nfs/dbraw/zinc/28/00/84/1100280084.db2.gz SYINECJOQVBRNF-HNNXBMFYSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)[C@@H](O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001190790718 1100338155 /nfs/dbraw/zinc/33/81/55/1100338155.db2.gz CZDTYIFBQZTMNG-FQEVSTJZSA-N 2 1 318.505 3.237 20 0 DGADMP Oc1cccc(C2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c1 ZINC001238117342 1100367667 /nfs/dbraw/zinc/36/76/67/1100367667.db2.gz XWSCKFGLOFMKTO-UHFFFAOYSA-N 2 1 307.397 3.420 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCCOCc2ccccc2)CC1 ZINC001205546268 1100375769 /nfs/dbraw/zinc/37/57/69/1100375769.db2.gz TXMDNTHGFUIPGL-SFHVURJKSA-N 2 1 308.441 3.136 20 0 DGADMP CCC[N@H+]1CC[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001203236241 1100378712 /nfs/dbraw/zinc/37/87/12/1100378712.db2.gz ZGGAGTRRVRYNJD-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+]1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001203236241 1100378716 /nfs/dbraw/zinc/37/87/16/1100378716.db2.gz ZGGAGTRRVRYNJD-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+]1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001203236241 1100378728 /nfs/dbraw/zinc/37/87/28/1100378728.db2.gz ZGGAGTRRVRYNJD-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205559847 1100428679 /nfs/dbraw/zinc/42/86/79/1100428679.db2.gz VPWYYVMIFQNWOH-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP CC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC001191521804 1100478520 /nfs/dbraw/zinc/47/85/20/1100478520.db2.gz VZFNQSDUCBAHJO-ZCNNSNEGSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)OC ZINC001191521804 1100478522 /nfs/dbraw/zinc/47/85/22/1100478522.db2.gz VZFNQSDUCBAHJO-ZCNNSNEGSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)OC ZINC001191521804 1100478525 /nfs/dbraw/zinc/47/85/25/1100478525.db2.gz VZFNQSDUCBAHJO-ZCNNSNEGSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cc(OC(C)C)cc3C)C[C@@H]2C1 ZINC001238668446 1100496829 /nfs/dbraw/zinc/49/68/29/1100496829.db2.gz BRQVGZWELITJGV-HDICACEKSA-N 2 1 316.489 3.474 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205569927 1100498089 /nfs/dbraw/zinc/49/80/89/1100498089.db2.gz AKEBAOHNZFAUJJ-CQSZACIVSA-N 2 1 320.330 3.064 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238713716 1100510128 /nfs/dbraw/zinc/51/01/28/1100510128.db2.gz KUKZNSXXSJSTTB-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238713716 1100510130 /nfs/dbraw/zinc/51/01/30/1100510130.db2.gz KUKZNSXXSJSTTB-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205591752 1100606051 /nfs/dbraw/zinc/60/60/51/1100606051.db2.gz OVEWZXBSWFRDDR-KRWDZBQOSA-N 2 1 312.404 3.266 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205605118 1100654429 /nfs/dbraw/zinc/65/44/29/1100654429.db2.gz ZDXCKFNAVWULKV-TZMCWYRMSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)CC[C@@H]1C[NH3+] ZINC001205618529 1100692196 /nfs/dbraw/zinc/69/21/96/1100692196.db2.gz WWOKUVSGINERKX-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1cccc(CN2CCC([NH3+])CC2)c1 ZINC001239684963 1100724994 /nfs/dbraw/zinc/72/49/94/1100724994.db2.gz VWGMZNOYVDELNP-UHFFFAOYSA-N 2 1 323.484 3.338 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccsc2Br)CC[C@@H]1C[NH3+] ZINC001205638979 1100786356 /nfs/dbraw/zinc/78/63/56/1100786356.db2.gz UDZVYSARYMSAPR-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1cnc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(C)c1 ZINC001278306921 1100845016 /nfs/dbraw/zinc/84/50/16/1100845016.db2.gz UBIARCIPRBGSOW-UHFFFAOYSA-N 2 1 324.472 3.125 20 0 DGADMP C[NH+](C)Cc1cccc(-c2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001240292711 1100928759 /nfs/dbraw/zinc/92/87/59/1100928759.db2.gz HNBGKDFFHJKFQO-UHFFFAOYSA-N 2 1 323.484 3.163 20 0 DGADMP C[NH+](C)Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001240386218 1100969614 /nfs/dbraw/zinc/96/96/14/1100969614.db2.gz FYLNYGLEKUKZAG-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP CCc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001205677673 1101031727 /nfs/dbraw/zinc/03/17/27/1101031727.db2.gz FLUMYIAZFOXJIP-FQEVSTJZSA-N 2 1 317.521 3.097 20 0 DGADMP Cc1cc(C2=CCC[NH2+]C2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001240645722 1101081739 /nfs/dbraw/zinc/08/17/39/1101081739.db2.gz NLOKMTVEUGMLPN-UHFFFAOYSA-N 2 1 319.452 3.325 20 0 DGADMP C(=C1CC[NH2+]CC1)c1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001240874774 1101167160 /nfs/dbraw/zinc/16/71/60/1101167160.db2.gz YDKZQYIDILQXTJ-UHFFFAOYSA-N 2 1 319.452 3.407 20 0 DGADMP COc1cccc(F)c1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001241015674 1101221665 /nfs/dbraw/zinc/22/16/65/1101221665.db2.gz XLRFIBILEOKVMD-UHFFFAOYSA-N 2 1 314.404 3.424 20 0 DGADMP CC(C)C[N@@H+](CCC[NH+]1CCCCC1)CC1CC[NH+](C)CC1 ZINC001197194306 1101496483 /nfs/dbraw/zinc/49/64/83/1101496483.db2.gz LFEPBKNUOUHQJQ-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP CC(C)C[N@H+](CCCN1CCCCC1)CC1CC[NH+](C)CC1 ZINC001197194306 1101496493 /nfs/dbraw/zinc/49/64/93/1101496493.db2.gz LFEPBKNUOUHQJQ-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP CC(C)C[N@@H+](CCCN1CCCCC1)CC1CC[NH+](C)CC1 ZINC001197194306 1101496497 /nfs/dbraw/zinc/49/64/97/1101496497.db2.gz LFEPBKNUOUHQJQ-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP C[NH+](C)Cc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001241502611 1101515967 /nfs/dbraw/zinc/51/59/67/1101515967.db2.gz OHCKTSRURDMXBQ-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP C[N@H+]1CCC=C(c2ccc(-c3ccc(-n4ccnc4)cc3)nn2)C1 ZINC001241568519 1101550880 /nfs/dbraw/zinc/55/08/80/1101550880.db2.gz FHTNXMBNOSDMDJ-UHFFFAOYSA-N 2 1 317.396 3.048 20 0 DGADMP C[N@H+]1CCC=C(c2nccc3c2CC[NH+](Cc2ccccc2)C3)C1 ZINC001241567156 1101551742 /nfs/dbraw/zinc/55/17/42/1101551742.db2.gz NTPVGAIJVSSUDI-UHFFFAOYSA-N 2 1 319.452 3.359 20 0 DGADMP C[N@H+]1CCC=C(c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC001241571000 1101552881 /nfs/dbraw/zinc/55/28/81/1101552881.db2.gz TTZSJPBIEWBJEE-RTBURBONSA-N 2 1 300.446 3.192 20 0 DGADMP C[N@H+]1CCC=C(c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)C1 ZINC001241570471 1101553207 /nfs/dbraw/zinc/55/32/07/1101553207.db2.gz JMTNMKSBZLLEIC-OALUTQOASA-N 2 1 318.436 3.331 20 0 DGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC001203891938 1101731285 /nfs/dbraw/zinc/73/12/85/1101731285.db2.gz CJRRKNUJPGTVNY-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP CC(C)([NH3+])c1cccc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001241993767 1101841029 /nfs/dbraw/zinc/84/10/29/1101841029.db2.gz OQPRREXPAIGKID-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199144669 1102069544 /nfs/dbraw/zinc/06/95/44/1102069544.db2.gz UTMVDLNCHJFTPT-MISYRCLQSA-N 2 1 317.521 3.073 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199144669 1102069557 /nfs/dbraw/zinc/06/95/57/1102069557.db2.gz UTMVDLNCHJFTPT-MISYRCLQSA-N 2 1 317.521 3.073 20 0 DGADMP CC(C)n1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC001199320752 1102116366 /nfs/dbraw/zinc/11/63/66/1102116366.db2.gz QUTGYCJDZZWVIQ-CALCHBBNSA-N 2 1 306.498 3.312 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1cccc2ccccc21 ZINC001199419915 1102128374 /nfs/dbraw/zinc/12/83/74/1102128374.db2.gz FIDJKBIONSEZKW-UHFFFAOYSA-N 2 1 321.424 3.469 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205902017 1102402766 /nfs/dbraw/zinc/40/27/66/1102402766.db2.gz GYUNRHMDLBTSSA-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205902017 1102402769 /nfs/dbraw/zinc/40/27/69/1102402769.db2.gz GYUNRHMDLBTSSA-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205902016 1102402856 /nfs/dbraw/zinc/40/28/56/1102402856.db2.gz GYUNRHMDLBTSSA-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205902016 1102402859 /nfs/dbraw/zinc/40/28/59/1102402859.db2.gz GYUNRHMDLBTSSA-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001205902608 1102442206 /nfs/dbraw/zinc/44/22/06/1102442206.db2.gz KWFLDDBWLAQMJO-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccc1F ZINC001200972101 1102451392 /nfs/dbraw/zinc/45/13/92/1102451392.db2.gz UYJGWNKENRMNKI-UHFFFAOYSA-N 2 1 308.441 3.113 20 0 DGADMP CCCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201379192 1102573640 /nfs/dbraw/zinc/57/36/40/1102573640.db2.gz WUIGQUMJDXAAOU-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CC3CCCCC3)C2)C1 ZINC001201388656 1102576406 /nfs/dbraw/zinc/57/64/06/1102576406.db2.gz DBESCIDQAAONKS-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CC3CCCCC3)C2)C1 ZINC001201388656 1102576414 /nfs/dbraw/zinc/57/64/14/1102576414.db2.gz DBESCIDQAAONKS-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001201388656 1102576426 /nfs/dbraw/zinc/57/64/26/1102576426.db2.gz DBESCIDQAAONKS-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001201388656 1102576435 /nfs/dbraw/zinc/57/64/35/1102576435.db2.gz DBESCIDQAAONKS-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916641 1102581510 /nfs/dbraw/zinc/58/15/10/1102581510.db2.gz VJFPSALEBRWNCF-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916641 1102581517 /nfs/dbraw/zinc/58/15/17/1102581517.db2.gz VJFPSALEBRWNCF-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201543642 1102631178 /nfs/dbraw/zinc/63/11/78/1102631178.db2.gz IZHIDKVFQXIXAJ-KRWDZBQOSA-N 2 1 318.509 3.287 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001201566156 1102653823 /nfs/dbraw/zinc/65/38/23/1102653823.db2.gz QUPICMMPTGBGDF-MRXNPFEDSA-N 2 1 300.487 3.020 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2cccc(O)c2F)CC1 ZINC001243545917 1102793689 /nfs/dbraw/zinc/79/36/89/1102793689.db2.gz RBFZPNOGSIZZHB-UHFFFAOYSA-N 2 1 300.377 3.121 20 0 DGADMP FC(F)(F)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202355987 1102955585 /nfs/dbraw/zinc/95/55/85/1102955585.db2.gz HZSFQSKOPSJSAX-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202355987 1102955594 /nfs/dbraw/zinc/95/55/94/1102955594.db2.gz HZSFQSKOPSJSAX-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC001325743423 1103114470 /nfs/dbraw/zinc/11/44/70/1103114470.db2.gz NAQYQUOLVBSSML-VHSXEESVSA-N 2 1 303.219 3.237 20 0 DGADMP FC(F)(F)[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000688022514 1103189443 /nfs/dbraw/zinc/18/94/43/1103189443.db2.gz BBZJUAVGFIUQKI-NSHDSACASA-N 2 1 304.381 3.168 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC001326037584 1103190943 /nfs/dbraw/zinc/19/09/43/1103190943.db2.gz MZGOIYZWYHUZGC-XMTFNYHQSA-N 2 1 316.493 3.352 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326278454 1103253207 /nfs/dbraw/zinc/25/32/07/1103253207.db2.gz WIOQBLHMXCVKJL-UHFFFAOYSA-N 2 1 302.462 3.148 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000689000510 1103277165 /nfs/dbraw/zinc/27/71/65/1103277165.db2.gz ZHKMVEYLASVMQT-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000689000510 1103277176 /nfs/dbraw/zinc/27/71/76/1103277176.db2.gz ZHKMVEYLASVMQT-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1cc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc2[nH]1 ZINC001244241794 1103307451 /nfs/dbraw/zinc/30/74/51/1103307451.db2.gz LHOPCDFXTZASLN-UHFFFAOYSA-N 2 1 302.381 3.478 20 0 DGADMP CCCCC[C@@H](CC)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258442677 1103332729 /nfs/dbraw/zinc/33/27/29/1103332729.db2.gz HAEIYKLCWWTDMY-LJQANCHMSA-N 2 1 309.542 3.305 20 0 DGADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326520053 1103351658 /nfs/dbraw/zinc/35/16/58/1103351658.db2.gz VANLAWHDLDMUQX-UHFFFAOYSA-N 2 1 311.429 3.307 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(OCC[NH3+])c2)nc1 ZINC001244323490 1103361034 /nfs/dbraw/zinc/36/10/34/1103361034.db2.gz KEBYILDNCPXWIT-IBGZPJMESA-N 2 1 311.429 3.243 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001326940190 1103484895 /nfs/dbraw/zinc/48/48/95/1103484895.db2.gz GMBCWPBSKHSJQF-AWEZNQCLSA-N 2 1 302.466 3.442 20 0 DGADMP CC(C)c1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(Cl)n1 ZINC001245102937 1103861436 /nfs/dbraw/zinc/86/14/36/1103861436.db2.gz RFJGNYPPDAQNNW-UHFFFAOYSA-N 2 1 316.836 3.330 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001328266280 1103894453 /nfs/dbraw/zinc/89/44/53/1103894453.db2.gz HZWJDPSNVIZYQF-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001137080529 1103960545 /nfs/dbraw/zinc/96/05/45/1103960545.db2.gz KIMNVPOTUGUFRF-ZWKOTPCHSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001137080529 1103960552 /nfs/dbraw/zinc/96/05/52/1103960552.db2.gz KIMNVPOTUGUFRF-ZWKOTPCHSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001137080529 1103960561 /nfs/dbraw/zinc/96/05/61/1103960561.db2.gz KIMNVPOTUGUFRF-ZWKOTPCHSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001137080529 1103960566 /nfs/dbraw/zinc/96/05/66/1103960566.db2.gz KIMNVPOTUGUFRF-ZWKOTPCHSA-N 2 1 304.482 3.303 20 0 DGADMP Cc1[nH+]ccn1-c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)ncn1 ZINC001245347469 1103997764 /nfs/dbraw/zinc/99/77/64/1103997764.db2.gz SMPFZSQGNBPXMC-INIZCTEOSA-N 2 1 305.385 3.062 20 0 DGADMP Cc1cccc2c(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)[nH]nc21 ZINC001137146304 1104010940 /nfs/dbraw/zinc/01/09/40/1104010940.db2.gz GKLMWKTVOAODTJ-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP CSc1ccc(F)cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001205975657 1104113624 /nfs/dbraw/zinc/11/36/24/1104113624.db2.gz XCEOIAKHZMGJRY-UHFFFAOYSA-N 2 1 303.406 3.019 20 0 DGADMP Cc1ccc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC001329233015 1104195984 /nfs/dbraw/zinc/19/59/84/1104195984.db2.gz GNGPKTDTBPFLBZ-UHFFFAOYSA-N 2 1 322.456 3.030 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329433642 1104264223 /nfs/dbraw/zinc/26/42/23/1104264223.db2.gz QFQVAWGXNGENPC-UHFFFAOYSA-N 2 1 314.473 3.441 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001329433144 1104264268 /nfs/dbraw/zinc/26/42/68/1104264268.db2.gz ICTPNAQVFGBFFN-UHFFFAOYSA-N 2 1 307.507 3.406 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC001329433416 1104264820 /nfs/dbraw/zinc/26/48/20/1104264820.db2.gz NQHNWAGMKGCEKV-ZWKOTPCHSA-N 2 1 313.489 3.108 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001245998117 1104348229 /nfs/dbraw/zinc/34/82/29/1104348229.db2.gz LHDVELIVOLFFFY-QGZVFWFLSA-N 2 1 324.896 3.450 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246113051 1104391340 /nfs/dbraw/zinc/39/13/40/1104391340.db2.gz WVXXMTOGWYDGPU-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP CCCCC[C@H](O)CN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246062207 1104361922 /nfs/dbraw/zinc/36/19/22/1104361922.db2.gz ZGUFCFMZZFICHI-KRWDZBQOSA-N 2 1 302.462 3.022 20 0 DGADMP CCCCC[C@H](O)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246057613 1104362105 /nfs/dbraw/zinc/36/21/05/1104362105.db2.gz ZXUNJTLXSSBWKG-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065172 1104363532 /nfs/dbraw/zinc/36/35/32/1104363532.db2.gz HJPIZRSNGFLNHZ-FHWLQOOXSA-N 2 1 322.468 3.449 20 0 DGADMP CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246071167 1104364476 /nfs/dbraw/zinc/36/44/76/1104364476.db2.gz XTBHFLMHZKGCPH-KRWDZBQOSA-N 2 1 324.896 3.301 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072474 1104368115 /nfs/dbraw/zinc/36/81/15/1104368115.db2.gz HVLUQNAPTGMFDL-FXAWDEMLSA-N 3 1 315.505 3.019 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246074859 1104369447 /nfs/dbraw/zinc/36/94/47/1104369447.db2.gz RAUKKDWOEBTMMG-JKSUJKDBSA-N 2 1 306.450 3.104 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)CC[NH2+]1 ZINC001246077870 1104371048 /nfs/dbraw/zinc/37/10/48/1104371048.db2.gz XEIFBGMINHSDND-WCQYABFASA-N 2 1 317.296 3.377 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078346 1104373041 /nfs/dbraw/zinc/37/30/41/1104373041.db2.gz HRERVSMXZLDKEA-ZOWXZIJZSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091795 1104381007 /nfs/dbraw/zinc/38/10/07/1104381007.db2.gz HOZOHQQEHPVLIY-LCLWPZTBSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091795 1104381017 /nfs/dbraw/zinc/38/10/17/1104381017.db2.gz HOZOHQQEHPVLIY-LCLWPZTBSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091795 1104381027 /nfs/dbraw/zinc/38/10/27/1104381027.db2.gz HOZOHQQEHPVLIY-LCLWPZTBSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091795 1104381039 /nfs/dbraw/zinc/38/10/39/1104381039.db2.gz HOZOHQQEHPVLIY-LCLWPZTBSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097522 1104383978 /nfs/dbraw/zinc/38/39/78/1104383978.db2.gz ORDQUQYBUZRKQR-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097522 1104383987 /nfs/dbraw/zinc/38/39/87/1104383987.db2.gz ORDQUQYBUZRKQR-RLLQIKCJSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097522 1104383996 /nfs/dbraw/zinc/38/39/96/1104383996.db2.gz ORDQUQYBUZRKQR-RLLQIKCJSA-N 3 1 315.505 3.019 20 0 DGADMP F[C@]1(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107247 1104388095 /nfs/dbraw/zinc/38/80/95/1104388095.db2.gz FQQUANAQNMVCOS-RHSMWYFYSA-N 2 1 310.844 3.269 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@@H]3C[NH2+]C[C@@H]3C)ccc2c1 ZINC001246115358 1104392524 /nfs/dbraw/zinc/39/25/24/1104392524.db2.gz HNOQMYTZPMZWCC-AUSJPIAWSA-N 2 1 312.457 3.367 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114299 1104392994 /nfs/dbraw/zinc/39/29/94/1104392994.db2.gz VWKNHPJOASTBEH-YSIASYRMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246114299 1104393006 /nfs/dbraw/zinc/39/30/06/1104393006.db2.gz VWKNHPJOASTBEH-YSIASYRMSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114299 1104393018 /nfs/dbraw/zinc/39/30/18/1104393018.db2.gz VWKNHPJOASTBEH-YSIASYRMSA-N 3 1 315.505 3.019 20 0 DGADMP CCOC(=O)C[C@@]1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC001246128373 1104398198 /nfs/dbraw/zinc/39/81/98/1104398198.db2.gz SMZBNQQTIFMJFG-APWZRJJASA-N 2 1 322.493 3.154 20 0 DGADMP CCOC(=O)C[C@]1([NH2+]C2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC001246129262 1104400370 /nfs/dbraw/zinc/40/03/70/1104400370.db2.gz VFFBXHRNFMINLN-LJQANCHMSA-N 2 1 322.493 3.154 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157945 1104410116 /nfs/dbraw/zinc/41/01/16/1104410116.db2.gz CWVMNFGDAYICJV-BMGDILEWSA-N 2 1 322.880 3.162 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157956 1104410465 /nfs/dbraw/zinc/41/04/65/1104410465.db2.gz CWVMNFGDAYICJV-JCGIZDLHSA-N 2 1 322.880 3.162 20 0 DGADMP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001329893873 1104412032 /nfs/dbraw/zinc/41/20/32/1104412032.db2.gz YRIOGIQJWSDKBX-UHFFFAOYSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246190242 1104429901 /nfs/dbraw/zinc/42/99/01/1104429901.db2.gz QIEAZPXVYKZEGL-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP Clc1ccccc1N1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC001246170892 1104417442 /nfs/dbraw/zinc/41/74/42/1104417442.db2.gz UPJXIIWIRBZKBH-HNNXBMFYSA-N 2 1 307.869 3.041 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246171959 1104418876 /nfs/dbraw/zinc/41/88/76/1104418876.db2.gz XWPOJEIWEHLLSW-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246172911 1104420484 /nfs/dbraw/zinc/42/04/84/1104420484.db2.gz YEOYQZIBVSTNOL-GHTZIAJQSA-N 2 1 323.484 3.029 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[NH2+]1 ZINC001246177350 1104422182 /nfs/dbraw/zinc/42/21/82/1104422182.db2.gz JJLKGCOACXEAQG-IAGOWNOFSA-N 2 1 318.461 3.262 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC001246184163 1104426558 /nfs/dbraw/zinc/42/65/58/1104426558.db2.gz ZWPFTJTXURRPBH-AOIWGVFYSA-N 2 1 319.468 3.001 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246195754 1104431803 /nfs/dbraw/zinc/43/18/03/1104431803.db2.gz OYIFZJVBBSKDEH-LMDPOFIKSA-N 3 1 307.526 3.153 20 0 DGADMP CC1(C)C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196591 1104433506 /nfs/dbraw/zinc/43/35/06/1104433506.db2.gz HBLLGSYZUMVGLB-MOPGFXCFSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC001246196591 1104433510 /nfs/dbraw/zinc/43/35/10/1104433510.db2.gz HBLLGSYZUMVGLB-MOPGFXCFSA-N 3 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196591 1104433517 /nfs/dbraw/zinc/43/35/17/1104433517.db2.gz HBLLGSYZUMVGLB-MOPGFXCFSA-N 3 1 315.505 3.019 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246201671 1104436098 /nfs/dbraw/zinc/43/60/98/1104436098.db2.gz IRTDZUWBEQQGAG-CABCVRRESA-N 2 1 300.487 3.240 20 0 DGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206654 1104436996 /nfs/dbraw/zinc/43/69/96/1104436996.db2.gz KFUXWLMUTDUWDB-CABCVRRESA-N 2 1 300.487 3.240 20 0 DGADMP C[C@@]1(C[NH2+]C2CCc3ccccc3CC2)CC[NH2+]CC1(F)F ZINC001246218720 1104441962 /nfs/dbraw/zinc/44/19/62/1104441962.db2.gz CCGKDTARIYMASU-KRWDZBQOSA-N 2 1 308.416 3.159 20 0 DGADMP C[C@]1(C[NH2+]C2CCc3ccccc3CC2)CC[NH2+]CC1(F)F ZINC001246218721 1104442009 /nfs/dbraw/zinc/44/20/09/1104442009.db2.gz CCGKDTARIYMASU-QGZVFWFLSA-N 2 1 308.416 3.159 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246220059 1104443447 /nfs/dbraw/zinc/44/34/47/1104443447.db2.gz CKCWOLJUAREDAZ-LKCYJCQHSA-N 3 1 319.468 3.034 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246233957 1104450833 /nfs/dbraw/zinc/45/08/33/1104450833.db2.gz VMWUMMHMVREUBP-ZYHUDNBSSA-N 2 1 320.786 3.245 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001246235543 1104450991 /nfs/dbraw/zinc/45/09/91/1104450991.db2.gz YLSNOKJVOVMCKI-HIFRSBDPSA-N 2 1 314.807 3.032 20 0 DGADMP C[C@@H]1C[C@@H](NCC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243601 1104455771 /nfs/dbraw/zinc/45/57/71/1104455771.db2.gz JNQLOSRBZWSFDF-HOJAQTOUSA-N 2 1 315.505 3.161 20 0 DGADMP CC[C@@H]1CC([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@@H](CC)[NH2+]1 ZINC001246259376 1104461825 /nfs/dbraw/zinc/46/18/25/1104461825.db2.gz OJJGXPZGEBOFCR-INMHGKMJSA-N 2 1 310.869 3.272 20 0 DGADMP COc1cc(F)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246264589 1104465716 /nfs/dbraw/zinc/46/57/16/1104465716.db2.gz NCVCRNKFANPCOK-MRXNPFEDSA-N 2 1 306.425 3.379 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CN1 ZINC001246272802 1104469311 /nfs/dbraw/zinc/46/93/11/1104469311.db2.gz WKCMCOAVDXJGMU-BVGQSLNGSA-N 2 1 306.425 3.024 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+]C1(C[NH3+])CCCC1 ZINC001246280806 1104472788 /nfs/dbraw/zinc/47/27/88/1104472788.db2.gz XIGKAJPOINLOEC-LBPRGKRZSA-N 2 1 311.267 3.241 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C1(C[NH3+])CCCC1)CC2 ZINC001246284553 1104473853 /nfs/dbraw/zinc/47/38/53/1104473853.db2.gz ANRDCDJUVJPNDM-GFCCVEGCSA-N 2 1 308.853 3.067 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246298692 1104478782 /nfs/dbraw/zinc/47/87/82/1104478782.db2.gz DDJQOZDHZJVQAN-PBHICJAKSA-N 2 1 302.849 3.431 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246308674 1104482348 /nfs/dbraw/zinc/48/23/48/1104482348.db2.gz HDSSRQVTGHREKD-WDSOQIARSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246311641 1104483840 /nfs/dbraw/zinc/48/38/40/1104483840.db2.gz QLXVTTPGGRPHQU-RTBURBONSA-N 2 1 317.521 3.393 20 0 DGADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246317369 1104485435 /nfs/dbraw/zinc/48/54/35/1104485435.db2.gz MGCQLGSTWORACM-MRXNPFEDSA-N 2 1 306.425 3.379 20 0 DGADMP CC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246318129 1104485936 /nfs/dbraw/zinc/48/59/36/1104485936.db2.gz QOGJFIHTRNEEKB-RDTXWAMCSA-N 2 1 300.446 3.496 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)CN1 ZINC001246316379 1104486378 /nfs/dbraw/zinc/48/63/78/1104486378.db2.gz NJTFACJXYFDHGD-GWCFXTLKSA-N 2 1 304.331 3.117 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C[NH2+]1 ZINC001246316379 1104486382 /nfs/dbraw/zinc/48/63/82/1104486382.db2.gz NJTFACJXYFDHGD-GWCFXTLKSA-N 2 1 304.331 3.117 20 0 DGADMP CCC(C)(C)C1CCC([NH2+][C@@H](C(=O)OC)C2CC[NH2+]CC2)CC1 ZINC001246329533 1104492472 /nfs/dbraw/zinc/49/24/72/1104492472.db2.gz QHXCLTFZBCAHAY-OFLPRAFFSA-N 2 1 324.509 3.112 20 0 DGADMP CCCCCC(CCCCC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246330139 1104492946 /nfs/dbraw/zinc/49/29/46/1104492946.db2.gz RXGRSXNKPCSWBG-SJORKVTESA-N 2 1 312.498 3.256 20 0 DGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246333143 1104496186 /nfs/dbraw/zinc/49/61/86/1104496186.db2.gz USWOQQBROLUPPN-QGZVFWFLSA-N 2 1 321.896 3.287 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246336268 1104497409 /nfs/dbraw/zinc/49/74/09/1104497409.db2.gz NZLBJFGHOZOPGF-MISYRCLQSA-N 3 1 315.505 3.006 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)C2 ZINC001246344790 1104501185 /nfs/dbraw/zinc/50/11/85/1104501185.db2.gz KZTHMZZTLXJFLW-NOXHYTERSA-N 2 1 311.256 3.333 20 0 DGADMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)N2 ZINC001246351345 1104503876 /nfs/dbraw/zinc/50/38/76/1104503876.db2.gz MNQHDHWBRRFNBC-ZWKOTPCHSA-N 2 1 313.489 3.410 20 0 DGADMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)N2 ZINC001246351345 1104503886 /nfs/dbraw/zinc/50/38/86/1104503886.db2.gz MNQHDHWBRRFNBC-ZWKOTPCHSA-N 2 1 313.489 3.410 20 0 DGADMP CC(C)[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246360709 1104507827 /nfs/dbraw/zinc/50/78/27/1104507827.db2.gz IMQPBTLVFSJSKU-GBESFXJTSA-N 2 1 307.526 3.007 20 0 DGADMP Clc1ccccc1C1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)COC1 ZINC001246364370 1104509107 /nfs/dbraw/zinc/50/91/07/1104509107.db2.gz WCUBXKNLZNZJLP-YOEHRIQHSA-N 2 1 320.864 3.077 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+]C2(c3ccccc3OC)CC[NH2+]CC2)C1 ZINC001246378828 1104514753 /nfs/dbraw/zinc/51/47/53/1104514753.db2.gz ZBRZPHUMASMLDY-HOTGVXAUSA-N 2 1 302.462 3.442 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]CC1 ZINC001246378316 1104515359 /nfs/dbraw/zinc/51/53/59/1104515359.db2.gz VYNGOUIYIDGJTR-XGBSXSJOSA-N 2 1 314.473 3.298 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccncc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246398758 1104526103 /nfs/dbraw/zinc/52/61/03/1104526103.db2.gz WJMRLJWHLBEDLY-IFUGULHKSA-N 2 1 313.367 3.282 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CCCCNC2)CC1 ZINC001246402152 1104527561 /nfs/dbraw/zinc/52/75/61/1104527561.db2.gz JWSKBWZDRCXYPV-FHWLQOOXSA-N 2 1 307.526 3.281 20 0 DGADMP [NH3+][C@H]1CC[C@H](N(CC2CCCCC2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246402152 1104527571 /nfs/dbraw/zinc/52/75/71/1104527571.db2.gz JWSKBWZDRCXYPV-FHWLQOOXSA-N 2 1 307.526 3.281 20 0 DGADMP CCCCCC[C@@H](CCCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401106 1104527742 /nfs/dbraw/zinc/52/77/42/1104527742.db2.gz KBNVWNZQHKHTHS-CVEARBPZSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407884 1104528698 /nfs/dbraw/zinc/52/86/98/1104528698.db2.gz VGGNSRZAYQHDLP-NXWXRZEISA-N 2 1 307.526 3.279 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+][C@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC001246411131 1104530823 /nfs/dbraw/zinc/53/08/23/1104530823.db2.gz OPWMWHSTCIZYFN-GWCFXTLKSA-N 2 1 302.340 3.117 20 0 DGADMP Fc1ccc(CC2([NH2+][C@H]3CC[NH2+]C3)CCC(F)(F)CC2)cc1 ZINC001246409421 1104531347 /nfs/dbraw/zinc/53/13/47/1104531347.db2.gz YRYAWXIQIMTFRN-HNNXBMFYSA-N 2 1 312.379 3.268 20 0 DGADMP Fc1ccccc1CC1([NH2+][C@H]2CC[NH2+]C2)CCC(F)(F)CC1 ZINC001246417372 1104532743 /nfs/dbraw/zinc/53/27/43/1104532743.db2.gz UTNRPBGAMCZTEA-AWEZNQCLSA-N 2 1 312.379 3.268 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246433533 1104538074 /nfs/dbraw/zinc/53/80/74/1104538074.db2.gz LBKNHFAROQEVLT-FZMZJTMJSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246439662 1104539446 /nfs/dbraw/zinc/53/94/46/1104539446.db2.gz PMXJQUXYLXFQRP-GOEBONIOSA-N 2 1 322.880 3.162 20 0 DGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246445075 1104541941 /nfs/dbraw/zinc/54/19/41/1104541941.db2.gz GMKUCRHPEQBWSQ-WDSOQIARSA-N 2 1 303.494 3.065 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246451833 1104543947 /nfs/dbraw/zinc/54/39/47/1104543947.db2.gz IARWWTOCHDVDTB-ZDUSSCGKSA-N 2 1 301.261 3.438 20 0 DGADMP CC[C@@]1([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC[NH2+]C1 ZINC001246456458 1104546573 /nfs/dbraw/zinc/54/65/73/1104546573.db2.gz ARDZODALURPWPK-CZUORRHYSA-N 2 1 323.278 3.038 20 0 DGADMP c1ccc([C@H](CC2CCOCC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246459841 1104548116 /nfs/dbraw/zinc/54/81/16/1104548116.db2.gz SRTZUANHCLBEQT-OALUTQOASA-N 2 1 302.462 3.276 20 0 DGADMP CC[C@]1([NH2+][C@@H](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC001246466542 1104551174 /nfs/dbraw/zinc/55/11/74/1104551174.db2.gz WHVVKIVLLILPIR-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CCCC[NH2+]C2)CCCCC1 ZINC001246472933 1104555303 /nfs/dbraw/zinc/55/53/03/1104555303.db2.gz HSCLUGHYTAESDT-OAHLLOKOSA-N 2 1 310.482 3.010 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001246484992 1104561486 /nfs/dbraw/zinc/56/14/86/1104561486.db2.gz GDXBKBKOOLREGX-STQMWFEESA-N 2 1 314.807 3.032 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001246488869 1104562499 /nfs/dbraw/zinc/56/24/99/1104562499.db2.gz ONWUHBGZZVBLIZ-ZFWWWQNUSA-N 2 1 314.807 3.032 20 0 DGADMP CCC[C@H](C)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246488026 1104563592 /nfs/dbraw/zinc/56/35/92/1104563592.db2.gz VLGGMUYCGUOEMX-DOTOQJQBSA-N 2 1 306.450 3.006 20 0 DGADMP COCC[N@H+]1CCC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001274980826 1104565448 /nfs/dbraw/zinc/56/54/48/1104565448.db2.gz TVLJXFRAVQAXHX-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP COCC[NH+]1CCC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001274980826 1104565458 /nfs/dbraw/zinc/56/54/58/1104565458.db2.gz TVLJXFRAVQAXHX-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP COCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001274980826 1104565469 /nfs/dbraw/zinc/56/54/69/1104565469.db2.gz TVLJXFRAVQAXHX-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP C[C@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246508671 1104570661 /nfs/dbraw/zinc/57/06/61/1104570661.db2.gz WPNDUVVGSCMPMF-DZFGPLHGSA-N 2 1 323.484 3.329 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C[NH2+]1 ZINC001246515852 1104574134 /nfs/dbraw/zinc/57/41/34/1104574134.db2.gz UOMCQACQKXZGOK-DYESRHJHSA-N 2 1 308.469 3.354 20 0 DGADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC001246520625 1104575769 /nfs/dbraw/zinc/57/57/69/1104575769.db2.gz UELKGGWTGSWRFP-PKOBYXMFSA-N 2 1 301.478 3.119 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246519001 1104576177 /nfs/dbraw/zinc/57/61/77/1104576177.db2.gz KWCMAHAOSHXVOH-SFTDATJTSA-N 2 1 321.468 3.302 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246519812 1104576202 /nfs/dbraw/zinc/57/62/02/1104576202.db2.gz ULSFOSJFDOVXQG-SCDSUCTJSA-N 2 1 313.367 3.282 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CO2 ZINC001246523553 1104577251 /nfs/dbraw/zinc/57/72/51/1104577251.db2.gz NTVOVNGLLUFXGS-MRXNPFEDSA-N 2 1 320.864 3.109 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)[C@@H](c2ccccc2)C1 ZINC001246530467 1104579549 /nfs/dbraw/zinc/57/95/49/1104579549.db2.gz YLIGPHIQRJQXBU-QRVBRYPASA-N 2 1 315.505 3.142 20 0 DGADMP C[N@@H+](Cc1ccccc1Br)C1CCC2(C[NH2+]C2)CC1 ZINC001246537359 1104581093 /nfs/dbraw/zinc/58/10/93/1104581093.db2.gz VMFDMGZQDUEKAI-UHFFFAOYSA-N 2 1 323.278 3.413 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001246536498 1104582130 /nfs/dbraw/zinc/58/21/30/1104582130.db2.gz FYYJFPFSSLNDMW-GPJFCIFZSA-N 2 1 314.473 3.433 20 0 DGADMP O=C(c1ccc(F)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246534288 1104582569 /nfs/dbraw/zinc/58/25/69/1104582569.db2.gz RORNFMDGEVLNRC-JWTNVVGKSA-N 2 1 316.420 3.003 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246539258 1104583889 /nfs/dbraw/zinc/58/38/89/1104583889.db2.gz GOMJTSREURYIIT-DMDPSCGWSA-N 2 1 301.261 3.451 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539987 1104584075 /nfs/dbraw/zinc/58/40/75/1104584075.db2.gz JEPKNQQPVYVVBW-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001275040381 1104586150 /nfs/dbraw/zinc/58/61/50/1104586150.db2.gz JSROACGFHQMZNZ-QGZVFWFLSA-N 2 1 314.477 3.054 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246546632 1104587502 /nfs/dbraw/zinc/58/75/02/1104587502.db2.gz BAFATXFUHKDIGD-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246546054 1104587805 /nfs/dbraw/zinc/58/78/05/1104587805.db2.gz FCHIMGBAXQREQU-WMLDXEAASA-N 2 1 310.844 3.350 20 0 DGADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CC3CCCCC3)(C1)CCC2 ZINC001275039340 1104589797 /nfs/dbraw/zinc/58/97/97/1104589797.db2.gz NVGWGIJZEDOECL-RBUKOAKNSA-N 2 1 307.526 3.153 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246552564 1104590694 /nfs/dbraw/zinc/59/06/94/1104590694.db2.gz QEJHGXRQQKEXAH-AAILRHKWSA-N 2 1 302.462 3.293 20 0 DGADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@](C)([NH3+])CC3)CCO2)cc1 ZINC001246552042 1104591161 /nfs/dbraw/zinc/59/11/61/1104591161.db2.gz NNVZJGSSFXZVBC-WDSOQIARSA-N 2 1 318.461 3.119 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246552795 1104591509 /nfs/dbraw/zinc/59/15/09/1104591509.db2.gz VIQCVYOXHADPRL-YJBOKZPZSA-N 2 1 308.441 3.169 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246550815 1104591527 /nfs/dbraw/zinc/59/15/27/1104591527.db2.gz OHVHQSAAMQUEHM-DLBZAZTESA-N 2 1 310.844 3.350 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246549616 1104591649 /nfs/dbraw/zinc/59/16/49/1104591649.db2.gz HNSMPHQECLEYME-BCDXTJNWSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246549616 1104591657 /nfs/dbraw/zinc/59/16/57/1104591657.db2.gz HNSMPHQECLEYME-BCDXTJNWSA-N 2 1 302.462 3.363 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246556113 1104592734 /nfs/dbraw/zinc/59/27/34/1104592734.db2.gz BDGVOMJTIHCWDN-PIKOESSRSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001246556283 1104593731 /nfs/dbraw/zinc/59/37/31/1104593731.db2.gz YVVYDINCAMZBIM-SJKOYZFVSA-N 2 1 312.379 3.165 20 0 DGADMP C[C@@]1([NH3+])CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553394 1104593932 /nfs/dbraw/zinc/59/39/32/1104593932.db2.gz RKDZFFNEMZERSM-VQTJNVASSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553394 1104593936 /nfs/dbraw/zinc/59/39/36/1104593936.db2.gz RKDZFFNEMZERSM-VQTJNVASSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001246553394 1104593941 /nfs/dbraw/zinc/59/39/41/1104593941.db2.gz RKDZFFNEMZERSM-VQTJNVASSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001246553394 1104593945 /nfs/dbraw/zinc/59/39/45/1104593945.db2.gz RKDZFFNEMZERSM-VQTJNVASSA-N 3 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001246553394 1104593948 /nfs/dbraw/zinc/59/39/48/1104593948.db2.gz RKDZFFNEMZERSM-VQTJNVASSA-N 3 1 315.505 3.244 20 0 DGADMP CC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275051045 1104594205 /nfs/dbraw/zinc/59/42/05/1104594205.db2.gz LGAMXIYOTUUWIS-UHFFFAOYSA-N 2 1 317.477 3.121 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561224 1104595583 /nfs/dbraw/zinc/59/55/83/1104595583.db2.gz FOPRFPSZGKVFCR-JMSVASOKSA-N 2 1 300.368 3.306 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561224 1104595587 /nfs/dbraw/zinc/59/55/87/1104595587.db2.gz FOPRFPSZGKVFCR-JMSVASOKSA-N 2 1 300.368 3.306 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246564522 1104597966 /nfs/dbraw/zinc/59/79/66/1104597966.db2.gz XQLXFIUVSXOPQL-TYNCELHUSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246564522 1104597976 /nfs/dbraw/zinc/59/79/76/1104597976.db2.gz XQLXFIUVSXOPQL-TYNCELHUSA-N 2 1 316.367 3.185 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246564084 1104598073 /nfs/dbraw/zinc/59/80/73/1104598073.db2.gz YUAJHWQVNWNEPN-DJIMGWMZSA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CCC[C@H]1C[NH3+] ZINC001246566610 1104598329 /nfs/dbraw/zinc/59/83/29/1104598329.db2.gz JGICTNMOSAYWSO-INWMFGNUSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246570752 1104600135 /nfs/dbraw/zinc/60/01/35/1104600135.db2.gz VECUQGLXZZVCPC-HZPDHXFCSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccccc2Cl)CC1 ZINC001246567741 1104600250 /nfs/dbraw/zinc/60/02/50/1104600250.db2.gz XQPYFTPTFWRDHQ-CABCVRRESA-N 2 1 321.896 3.368 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(c3ccccc3)CC2)CC1 ZINC001246577313 1104601370 /nfs/dbraw/zinc/60/13/70/1104601370.db2.gz OCZUHHRUASGCMR-LJQANCHMSA-N 2 1 301.478 3.106 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246575713 1104601733 /nfs/dbraw/zinc/60/17/33/1104601733.db2.gz LADLQZLBXYQJGU-YJBOKZPZSA-N 2 1 308.416 3.273 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)CC1 ZINC001246582264 1104603502 /nfs/dbraw/zinc/60/35/02/1104603502.db2.gz VWGROPBUFQPAOX-HIQGEDKISA-N 2 1 308.510 3.013 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246580562 1104604081 /nfs/dbraw/zinc/60/40/81/1104604081.db2.gz XDDCYGLIZGKLFO-LADRWXRNSA-N 2 1 324.509 3.338 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001246581708 1104604223 /nfs/dbraw/zinc/60/42/23/1104604223.db2.gz ABFDVDSRICCRDQ-QAPCUYQASA-N 2 1 308.416 3.273 20 0 DGADMP COC[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246583316 1104605769 /nfs/dbraw/zinc/60/57/69/1104605769.db2.gz QJJQGIRWZSXAFY-LNLFQRSKSA-N 2 1 320.452 3.428 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246583316 1104605775 /nfs/dbraw/zinc/60/57/75/1104605775.db2.gz QJJQGIRWZSXAFY-LNLFQRSKSA-N 2 1 320.452 3.428 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](C2CCC(OCc3ccccc3)CC2)CC[C@@H]1F ZINC001246590670 1104608229 /nfs/dbraw/zinc/60/82/29/1104608229.db2.gz UZJUUEVTOXZQHE-BTRQGYIVSA-N 2 1 320.452 3.276 20 0 DGADMP [NH3+][C@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)CC[C@@H]1F ZINC001246590670 1104608233 /nfs/dbraw/zinc/60/82/33/1104608233.db2.gz UZJUUEVTOXZQHE-BTRQGYIVSA-N 2 1 320.452 3.276 20 0 DGADMP CC(C)N([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246593750 1104612511 /nfs/dbraw/zinc/61/25/11/1104612511.db2.gz NWTANDBDXHAUFR-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246593750 1104612516 /nfs/dbraw/zinc/61/25/16/1104612516.db2.gz NWTANDBDXHAUFR-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246593750 1104612521 /nfs/dbraw/zinc/61/25/21/1104612521.db2.gz NWTANDBDXHAUFR-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593930 1104613077 /nfs/dbraw/zinc/61/30/77/1104613077.db2.gz PEFXWTQWYHAJHA-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593930 1104613084 /nfs/dbraw/zinc/61/30/84/1104613084.db2.gz PEFXWTQWYHAJHA-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593930 1104613091 /nfs/dbraw/zinc/61/30/91/1104613091.db2.gz PEFXWTQWYHAJHA-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H](C)CCCC(C)C)CC[NH2+]CC2 ZINC001246600040 1104616082 /nfs/dbraw/zinc/61/60/82/1104616082.db2.gz FDICOESOQCHRRA-IAGOWNOFSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599225 1104616108 /nfs/dbraw/zinc/61/61/08/1104616108.db2.gz BICKPMUHYYDQIU-IBGZPJMESA-N 3 1 307.526 3.107 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599225 1104616113 /nfs/dbraw/zinc/61/61/13/1104616113.db2.gz BICKPMUHYYDQIU-IBGZPJMESA-N 3 1 307.526 3.107 20 0 DGADMP CCCN1CCC([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599225 1104616116 /nfs/dbraw/zinc/61/61/16/1104616116.db2.gz BICKPMUHYYDQIU-IBGZPJMESA-N 2 1 307.526 3.107 20 0 DGADMP CCCN1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599225 1104616120 /nfs/dbraw/zinc/61/61/20/1104616120.db2.gz BICKPMUHYYDQIU-IBGZPJMESA-N 2 1 307.526 3.107 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246598491 1104616201 /nfs/dbraw/zinc/61/62/01/1104616201.db2.gz ALFLPFLWNQRUDC-LJQANCHMSA-N 2 1 316.489 3.098 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](C)CCCC(C)C)C[C@@H]1C[NH2+]CCC2 ZINC001246600014 1104616835 /nfs/dbraw/zinc/61/68/35/1104616835.db2.gz COAAOZXQXABBMC-LNLFQRSKSA-N 2 1 324.509 3.066 20 0 DGADMP CC[NH+]1CCC2(CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001275084847 1104616890 /nfs/dbraw/zinc/61/68/90/1104616890.db2.gz IUPLWHMZLOVEKF-UHFFFAOYSA-N 2 1 312.461 3.261 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246602890 1104619637 /nfs/dbraw/zinc/61/96/37/1104619637.db2.gz DJPGLEIAHQFGHP-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246602938 1104620621 /nfs/dbraw/zinc/62/06/21/1104620621.db2.gz FGSVZHXIUVDOPK-QFBILLFUSA-N 2 1 320.427 3.430 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246603669 1104620682 /nfs/dbraw/zinc/62/06/82/1104620682.db2.gz FPAIPVSQQQNBLR-CRAIPNDOSA-N 2 1 304.865 3.415 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246605333 1104622411 /nfs/dbraw/zinc/62/24/11/1104622411.db2.gz BFFKUOJNELECOR-XLIONFOSSA-N 2 1 314.473 3.018 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246606108 1104622425 /nfs/dbraw/zinc/62/24/25/1104622425.db2.gz LXZWPPXBTWOPPP-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc(N2CCC([N@H+]3CCC[C@@]34CCC[NH2+]C4)CC2)c1 ZINC001246608259 1104623981 /nfs/dbraw/zinc/62/39/81/1104623981.db2.gz IRBJCDIEDVLZFP-LJQANCHMSA-N 2 1 317.452 3.013 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609781 1104624624 /nfs/dbraw/zinc/62/46/24/1104624624.db2.gz NRJRNUDWUBTDGK-FZKQIMNGSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609781 1104624628 /nfs/dbraw/zinc/62/46/28/1104624628.db2.gz NRJRNUDWUBTDGK-FZKQIMNGSA-N 2 1 324.390 3.037 20 0 DGADMP CCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4ccccc4[nH]3)(C1)CCC2 ZINC001275104113 1104626041 /nfs/dbraw/zinc/62/60/41/1104626041.db2.gz YNTJTUBCFKSCEN-RBUKOAKNSA-N 2 1 312.461 3.498 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246610912 1104626003 /nfs/dbraw/zinc/62/60/03/1104626003.db2.gz SLHXZCTVYJZYMB-LPHOPBHVSA-N 2 1 302.462 3.092 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615743 1104630062 /nfs/dbraw/zinc/63/00/62/1104630062.db2.gz SISSOTNWTGTSNI-RBUKOAKNSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615743 1104630064 /nfs/dbraw/zinc/63/00/64/1104630064.db2.gz SISSOTNWTGTSNI-RBUKOAKNSA-N 2 1 302.437 3.291 20 0 DGADMP CSCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275110190 1104630857 /nfs/dbraw/zinc/63/08/57/1104630857.db2.gz ZIHYYZKQWBCUAS-UHFFFAOYSA-N 2 1 307.507 3.056 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246624205 1104633322 /nfs/dbraw/zinc/63/33/22/1104633322.db2.gz CPLPPILNXCZVNA-UUKMXZOPSA-N 2 1 314.473 3.452 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246625137 1104633361 /nfs/dbraw/zinc/63/33/61/1104633361.db2.gz RIDCXTYFZCLQEI-OXJNMPFZSA-N 2 1 324.443 3.446 20 0 DGADMP C[C@H](Cc1ccccc1F)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246626500 1104633968 /nfs/dbraw/zinc/63/39/68/1104633968.db2.gz USPBBJHUIAQOPT-VQIMIIECSA-N 2 1 324.443 3.446 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246627953 1104634772 /nfs/dbraw/zinc/63/47/72/1104634772.db2.gz BEAVWCUYEDXFSC-MAUKXSAKSA-N 2 1 304.865 3.415 20 0 DGADMP CCC(C)(C)C1CCC([N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246627801 1104634798 /nfs/dbraw/zinc/63/47/98/1104634798.db2.gz ZSNWTEXKVKYEOC-FAFZWHIHSA-N 2 1 308.510 3.436 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246627801 1104634800 /nfs/dbraw/zinc/63/48/00/1104634800.db2.gz ZSNWTEXKVKYEOC-FAFZWHIHSA-N 2 1 308.510 3.436 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CS2 ZINC001246629770 1104636056 /nfs/dbraw/zinc/63/60/56/1104636056.db2.gz GLLNIVLPBGADJE-AEFFLSMTSA-N 2 1 302.487 3.312 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634417 1104638669 /nfs/dbraw/zinc/63/86/69/1104638669.db2.gz NMHAGJYNFSPPSC-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246635056 1104639022 /nfs/dbraw/zinc/63/90/22/1104639022.db2.gz JFKBCFPKIMMHFF-UYAOXDASSA-N 2 1 316.489 3.018 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246637777 1104640028 /nfs/dbraw/zinc/64/00/28/1104640028.db2.gz KCBZSHSRGLYPCM-DLBZAZTESA-N 2 1 308.416 3.328 20 0 DGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)C2)cc1 ZINC001246638465 1104640082 /nfs/dbraw/zinc/64/00/82/1104640082.db2.gz OVAGNLDQYCXEEZ-AQNXPRMDSA-N 2 1 314.473 3.025 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640717 1104640361 /nfs/dbraw/zinc/64/03/61/1104640361.db2.gz BZHJEDOTDGOTRP-IBGZPJMESA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640717 1104640365 /nfs/dbraw/zinc/64/03/65/1104640365.db2.gz BZHJEDOTDGOTRP-IBGZPJMESA-N 2 1 316.489 3.098 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246641211 1104641553 /nfs/dbraw/zinc/64/15/53/1104641553.db2.gz WMIGLSGFPHQHFO-QGZVFWFLSA-N 2 1 304.865 3.273 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646302 1104643419 /nfs/dbraw/zinc/64/34/19/1104643419.db2.gz YIQFPNFDUVKIMM-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646302 1104643420 /nfs/dbraw/zinc/64/34/20/1104643420.db2.gz YIQFPNFDUVKIMM-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246646830 1104644098 /nfs/dbraw/zinc/64/40/98/1104644098.db2.gz IGMGLPKPJKJOKZ-MCIONIFRSA-N 2 1 310.894 3.362 20 0 DGADMP C1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@@H](C2CC[NH2+]CC2)C1 ZINC001246646175 1104644124 /nfs/dbraw/zinc/64/41/24/1104644124.db2.gz OTILINQTWARKEA-LJQANCHMSA-N 3 1 319.537 3.153 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001246651167 1104647183 /nfs/dbraw/zinc/64/71/83/1104647183.db2.gz FDEHAMUKEAKUQL-MRXNPFEDSA-N 2 1 302.462 3.234 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001246650470 1104647308 /nfs/dbraw/zinc/64/73/08/1104647308.db2.gz INSFTSSCHGXZLR-CTWPCTMYSA-N 3 1 307.526 3.248 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001246650470 1104647313 /nfs/dbraw/zinc/64/73/13/1104647313.db2.gz INSFTSSCHGXZLR-CTWPCTMYSA-N 2 1 307.526 3.248 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246652484 1104649152 /nfs/dbraw/zinc/64/91/52/1104649152.db2.gz PWLBWXBJLURCMX-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246652484 1104649157 /nfs/dbraw/zinc/64/91/57/1104649157.db2.gz PWLBWXBJLURCMX-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246656222 1104650993 /nfs/dbraw/zinc/65/09/93/1104650993.db2.gz CCXHBBYJQWCEOA-QXWDQEIOSA-N 2 1 310.485 3.497 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246656222 1104650995 /nfs/dbraw/zinc/65/09/95/1104650995.db2.gz CCXHBBYJQWCEOA-QXWDQEIOSA-N 2 1 310.485 3.497 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275146446 1104651069 /nfs/dbraw/zinc/65/10/69/1104651069.db2.gz ZCHMYURCHFJKKB-SLFFLAALSA-N 2 1 321.553 3.327 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001246656220 1104651176 /nfs/dbraw/zinc/65/11/76/1104651176.db2.gz CCXHBBYJQWCEOA-KJJOEJEFSA-N 2 1 310.485 3.497 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001246656220 1104651182 /nfs/dbraw/zinc/65/11/82/1104651182.db2.gz CCXHBBYJQWCEOA-KJJOEJEFSA-N 2 1 310.485 3.497 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246661502 1104653276 /nfs/dbraw/zinc/65/32/76/1104653276.db2.gz RHWYUCNRKHZVDT-MZGVZZPPSA-N 2 1 323.278 3.192 20 0 DGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@H+]3C2Cc3ccccc3C2)cc1 ZINC001246671682 1104655722 /nfs/dbraw/zinc/65/57/22/1104655722.db2.gz GPSSQVCUJVSXCP-FGZHOGPDSA-N 2 1 318.464 3.375 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CC1 ZINC001246680957 1104660028 /nfs/dbraw/zinc/66/00/28/1104660028.db2.gz YDCNOTWYJYKJAR-FQVISZRSSA-N 2 1 310.485 3.355 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@H](CC)C[C@@H](C)CC)C[C@@H]1CC[NH2+]CC2 ZINC001246683849 1104660584 /nfs/dbraw/zinc/66/05/84/1104660584.db2.gz UXPDJNCJBNVQHU-BMFAXAFESA-N 2 1 324.509 3.066 20 0 DGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC1 ZINC001246686272 1104661945 /nfs/dbraw/zinc/66/19/45/1104661945.db2.gz QKVCCMJRBVVPMP-BEWYENAOSA-N 2 1 306.494 3.044 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001246691703 1104662059 /nfs/dbraw/zinc/66/20/59/1104662059.db2.gz MBRYVTWXNIQVEA-QGTPRVQTSA-N 2 1 322.855 3.221 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246687777 1104662364 /nfs/dbraw/zinc/66/23/64/1104662364.db2.gz FVRXJNWAKHWJIM-QYZOEREBSA-N 2 1 304.453 3.421 20 0 DGADMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246770992 1104666885 /nfs/dbraw/zinc/66/68/85/1104666885.db2.gz URDYOHGXNILVJF-VQTJNVASSA-N 2 1 324.468 3.490 20 0 DGADMP CC[C@@H]1CC([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246780964 1104670246 /nfs/dbraw/zinc/67/02/46/1104670246.db2.gz APDOCMIOJMCNIK-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246780964 1104670252 /nfs/dbraw/zinc/67/02/52/1104670252.db2.gz APDOCMIOJMCNIK-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246781444 1104670372 /nfs/dbraw/zinc/67/03/72/1104670372.db2.gz FIYUENGHIUYPMZ-NXHRZFHOSA-N 2 1 320.452 3.446 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246780284 1104670429 /nfs/dbraw/zinc/67/04/29/1104670429.db2.gz CDTLVBYROSUGFR-RZRMAFQFSA-N 2 1 300.446 3.121 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246780328 1104670613 /nfs/dbraw/zinc/67/06/13/1104670613.db2.gz CLZYRZGWQSHOOZ-FUHWJXTLSA-N 2 1 318.436 3.201 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246781621 1104670901 /nfs/dbraw/zinc/67/09/01/1104670901.db2.gz GEWPTIWXCXQVIO-AOIWGVFYSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246780853 1104671030 /nfs/dbraw/zinc/67/10/30/1104671030.db2.gz MMYWBMMHISASKE-UHFFFAOYSA-N 3 1 321.553 3.351 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246782494 1104672356 /nfs/dbraw/zinc/67/23/56/1104672356.db2.gz QGZFHAUPOHNDIG-MDZRGWNJSA-N 2 1 318.461 3.069 20 0 DGADMP CC[C@@H]1CC([N@@H+](CCC(=O)OC)C2CCCC2)C[C@@H](CC)[NH2+]1 ZINC001246782440 1104672613 /nfs/dbraw/zinc/67/26/13/1104672613.db2.gz JVXZRKKDMWQIES-HUUCEWRRSA-N 2 1 310.482 3.103 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246784931 1104673474 /nfs/dbraw/zinc/67/34/74/1104673474.db2.gz HMYDRHMJMUMBRN-SZMVWBNQSA-N 2 1 306.425 3.055 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC1 ZINC001246784797 1104673493 /nfs/dbraw/zinc/67/34/93/1104673493.db2.gz GYBAWZHJJWWIIY-FAFZWHIHSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@@H](Oc3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246784392 1104673723 /nfs/dbraw/zinc/67/37/23/1104673723.db2.gz GGHCVQPOGYVWNW-GPMSIDNRSA-N 2 1 302.462 3.449 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@H](Oc3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246784393 1104674079 /nfs/dbraw/zinc/67/40/79/1104674079.db2.gz GGHCVQPOGYVWNW-MDZRGWNJSA-N 2 1 302.462 3.449 20 0 DGADMP c1cc2c(s1)C[N@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246793711 1104679056 /nfs/dbraw/zinc/67/90/56/1104679056.db2.gz CYQLBRWSBDEUEG-ROUUACIJSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)C[N@@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246793711 1104679062 /nfs/dbraw/zinc/67/90/62/1104679062.db2.gz CYQLBRWSBDEUEG-ROUUACIJSA-N 2 1 312.482 3.470 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246795374 1104679075 /nfs/dbraw/zinc/67/90/75/1104679075.db2.gz AXYBPPVRQVJHPE-CVEARBPZSA-N 2 1 322.493 3.105 20 0 DGADMP c1ccc([C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)CCO2)cc1 ZINC001246798708 1104681119 /nfs/dbraw/zinc/68/11/19/1104681119.db2.gz QTBOTABUWIOYKP-GPJFCIFZSA-N 2 1 314.473 3.372 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246810995 1104685114 /nfs/dbraw/zinc/68/51/14/1104685114.db2.gz PMFNUSLJJJAXTA-QYZOEREBSA-N 2 1 316.489 3.239 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246812919 1104687571 /nfs/dbraw/zinc/68/75/71/1104687571.db2.gz FPTISMWMDVMUJS-BXUZGUMPSA-N 2 1 313.272 3.392 20 0 DGADMP COc1cccc(CC[N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246814778 1104688778 /nfs/dbraw/zinc/68/87/78/1104688778.db2.gz RYLFREBJCCYGAS-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814159 1104688941 /nfs/dbraw/zinc/68/89/41/1104688941.db2.gz OBRYEVRTKYZJOW-JSGCOSHPSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@H]([NH3+])CC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246820700 1104691471 /nfs/dbraw/zinc/69/14/71/1104691471.db2.gz JPNDMYPZEFSTLP-OIGVQNGMSA-N 2 1 315.505 3.240 20 0 DGADMP C[C@@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246823992 1104693307 /nfs/dbraw/zinc/69/33/07/1104693307.db2.gz IFRPEOGSOLBBCJ-UEDFBRSZSA-N 2 1 315.505 3.110 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H](C)COC)CC[NH2+]1 ZINC001246840845 1104700536 /nfs/dbraw/zinc/70/05/36/1104700536.db2.gz RMKHKNZOKMMUNI-NXHRZFHOSA-N 2 1 320.477 3.063 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246841853 1104700974 /nfs/dbraw/zinc/70/09/74/1104700974.db2.gz PCGZIXAPGZWQQO-ROUUACIJSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC[NH2+]1 ZINC001246840842 1104701511 /nfs/dbraw/zinc/70/15/11/1104701511.db2.gz RMKHKNZOKMMUNI-CGTJXYLNSA-N 2 1 320.477 3.063 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](CC)[NH2+]1 ZINC001246846082 1104705023 /nfs/dbraw/zinc/70/50/23/1104705023.db2.gz MRWAXIUDVVFGDU-ZSHCYNCHSA-N 2 1 304.434 3.156 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](CC)[NH2+]1 ZINC001246846082 1104705030 /nfs/dbraw/zinc/70/50/30/1104705030.db2.gz MRWAXIUDVVFGDU-ZSHCYNCHSA-N 2 1 304.434 3.156 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](CC)[NH2+]1 ZINC001246846079 1104705049 /nfs/dbraw/zinc/70/50/49/1104705049.db2.gz MRWAXIUDVVFGDU-MUJYYYPQSA-N 2 1 304.434 3.156 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](CC)[NH2+]1 ZINC001246846079 1104705053 /nfs/dbraw/zinc/70/50/53/1104705053.db2.gz MRWAXIUDVVFGDU-MUJYYYPQSA-N 2 1 304.434 3.156 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848573 1104707492 /nfs/dbraw/zinc/70/74/92/1104707492.db2.gz CIUPVZFUZHQDQY-QRTARXTBSA-N 2 1 308.853 3.324 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246853112 1104708356 /nfs/dbraw/zinc/70/83/56/1104708356.db2.gz TVUGCGBCWMPLSE-DOTOQJQBSA-N 2 1 308.853 3.325 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccnn3-c3ccccc3)CC2)C1 ZINC001275290962 1104708637 /nfs/dbraw/zinc/70/86/37/1104708637.db2.gz HLLKDKUXSZJRKE-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC001275291625 1104709753 /nfs/dbraw/zinc/70/97/53/1104709753.db2.gz QAWINZBPOFBDED-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC001275291625 1104709760 /nfs/dbraw/zinc/70/97/60/1104709760.db2.gz QAWINZBPOFBDED-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001275291625 1104709769 /nfs/dbraw/zinc/70/97/69/1104709769.db2.gz QAWINZBPOFBDED-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP CCSC[C@H](C)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246860388 1104710732 /nfs/dbraw/zinc/71/07/32/1104710732.db2.gz MJIZQVMNCHANPP-HNNXBMFYSA-N 2 1 304.503 3.265 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001246865588 1104713084 /nfs/dbraw/zinc/71/30/84/1104713084.db2.gz ZCVRHSPXATWWFG-NLPMXTIOSA-N 2 1 315.505 3.097 20 0 DGADMP CSC(C)(C)C[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246871217 1104713909 /nfs/dbraw/zinc/71/39/09/1104713909.db2.gz DIWCDUGFCIZBKP-SUMDDJOVSA-N 2 1 318.530 3.380 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CCc2ccc(Cl)cc21 ZINC001246868974 1104714029 /nfs/dbraw/zinc/71/40/29/1104714029.db2.gz DSFRUGMBXTUHQQ-XJKSGUPXSA-N 2 1 304.865 3.444 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC001246871155 1104714538 /nfs/dbraw/zinc/71/45/38/1104714538.db2.gz OXDBEMJWPGSVKE-QAPCUYQASA-N 2 1 302.462 3.090 20 0 DGADMP CCC(C)(C)C1CCC([NH+]2CCC([C@H]([NH3+])C(=O)OC)CC2)CC1 ZINC001246870611 1104714681 /nfs/dbraw/zinc/71/46/81/1104714681.db2.gz WAUHJZUEWWAAME-JCYILVPMSA-N 2 1 324.509 3.194 20 0 DGADMP Fc1ccc(CC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c(F)c1 ZINC001246872004 1104716874 /nfs/dbraw/zinc/71/68/74/1104716874.db2.gz TVYHXAOOZSNWQG-KRWDZBQOSA-N 2 1 308.416 3.361 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)C2)cc1 ZINC001246878633 1104718215 /nfs/dbraw/zinc/71/82/15/1104718215.db2.gz SJBFRSJFWFRBLN-AOIWGVFYSA-N 2 1 302.462 3.261 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246881095 1104719351 /nfs/dbraw/zinc/71/93/51/1104719351.db2.gz XQCFDBQZBOYQPO-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246880483 1104719605 /nfs/dbraw/zinc/71/96/05/1104719605.db2.gz FVYLUEARQKFSJA-MSOLQXFVSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC[NH2+]1 ZINC001246882834 1104721874 /nfs/dbraw/zinc/72/18/74/1104721874.db2.gz OODBZZHDIDFUAK-IPMKNSEASA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H](C)N1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246884222 1104721999 /nfs/dbraw/zinc/72/19/99/1104721999.db2.gz RVCZEVRDRYOAQT-KWXDATOUSA-N 2 1 315.505 3.110 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246886736 1104722562 /nfs/dbraw/zinc/72/25/62/1104722562.db2.gz IBGMTWVRLOGAIN-ICSRJNTNSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246889343 1104725103 /nfs/dbraw/zinc/72/51/03/1104725103.db2.gz OHOSTRPLXHHBLP-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246890230 1104725674 /nfs/dbraw/zinc/72/56/74/1104725674.db2.gz SSSUXCTZTFVKHM-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc(-c2cccc(N3CC[NH+](C4CC[NH2+]CC4)CC3)c2)cc1 ZINC001246899859 1104728884 /nfs/dbraw/zinc/72/88/84/1104728884.db2.gz RVYHQDOESVBHQT-UHFFFAOYSA-N 2 1 321.468 3.228 20 0 DGADMP CCCC[C@H]1CN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246904292 1104730595 /nfs/dbraw/zinc/73/05/95/1104730595.db2.gz VMCJNMZEOPJDFZ-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)[C@]1(C)CCC[NH2+]C1 ZINC001246906408 1104730843 /nfs/dbraw/zinc/73/08/43/1104730843.db2.gz BIIYCFREMWMZOM-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCSCC2)cc1 ZINC001246908342 1104731582 /nfs/dbraw/zinc/73/15/82/1104731582.db2.gz APKKWMUMFMTGLG-IZZQQSIFSA-N 2 1 316.514 3.382 20 0 DGADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246912755 1104733476 /nfs/dbraw/zinc/73/34/76/1104733476.db2.gz VIYMUABDLMQGNU-NGRHZWBJSA-N 3 1 313.489 3.042 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246912795 1104734435 /nfs/dbraw/zinc/73/44/35/1104734435.db2.gz GKLVHKXXILCQAF-KRWDZBQOSA-N 2 1 304.478 3.444 20 0 DGADMP C[NH2+]C1CCC([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001246913331 1104735506 /nfs/dbraw/zinc/73/55/06/1104735506.db2.gz WDSHSYBWUXMJEN-UHFFFAOYSA-N 3 1 315.505 3.289 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](Cc3cccc(OC)c3)C2)CC1 ZINC001246914099 1104735844 /nfs/dbraw/zinc/73/58/44/1104735844.db2.gz JUGRRDROEBDFDZ-LMDPOFIKSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](CCCCCCO)Cc2ccccc2)CC[NH2+]1 ZINC001246925229 1104740145 /nfs/dbraw/zinc/74/01/45/1104740145.db2.gz LSXITCHBRCYHEN-HKUYNNGSSA-N 2 1 304.478 3.182 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933638 1104742981 /nfs/dbraw/zinc/74/29/81/1104742981.db2.gz HXZJRQDPEORDNG-GBESFXJTSA-N 2 1 320.452 3.337 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933638 1104742986 /nfs/dbraw/zinc/74/29/86/1104742986.db2.gz HXZJRQDPEORDNG-GBESFXJTSA-N 2 1 320.452 3.337 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934643 1104743084 /nfs/dbraw/zinc/74/30/84/1104743084.db2.gz ORUHIOPSHTVXIG-QZTJIDSGSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934643 1104743086 /nfs/dbraw/zinc/74/30/86/1104743086.db2.gz ORUHIOPSHTVXIG-QZTJIDSGSA-N 2 1 309.542 3.351 20 0 DGADMP CCCC[C@@H]1CN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246935712 1104743101 /nfs/dbraw/zinc/74/31/01/1104743101.db2.gz VMCJNMZEOPJDFZ-SXLOBPIMSA-N 2 1 315.505 3.113 20 0 DGADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001246945311 1104746976 /nfs/dbraw/zinc/74/69/76/1104746976.db2.gz LAANCAXIMCVZMM-CEXWTWQISA-N 2 1 306.494 3.190 20 0 DGADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246948479 1104748372 /nfs/dbraw/zinc/74/83/72/1104748372.db2.gz QQDFEBKHTMFPGA-UYHMYPTGSA-N 2 1 311.256 3.000 20 0 DGADMP CC(C)(C)C[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246951323 1104749640 /nfs/dbraw/zinc/74/96/40/1104749640.db2.gz UHZPDEAFEZVVHT-IAGOWNOFSA-N 3 1 309.542 3.253 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246951323 1104749645 /nfs/dbraw/zinc/74/96/45/1104749645.db2.gz UHZPDEAFEZVVHT-IAGOWNOFSA-N 3 1 309.542 3.253 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246951185 1104750167 /nfs/dbraw/zinc/75/01/67/1104750167.db2.gz XZUQWWFRJRTMSP-REPLKXPHSA-N 2 1 313.489 3.099 20 0 DGADMP CC(C)N([C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246956106 1104752483 /nfs/dbraw/zinc/75/24/83/1104752483.db2.gz VXJYQWCNEDNVHH-DFQSSKMNSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc(C[N@@H+]([C@@H](C)CC2CC2)C2CC[NH2+]CC2)cc1 ZINC001246956633 1104753051 /nfs/dbraw/zinc/75/30/51/1104753051.db2.gz ZIDYYWUZLSOTQY-HNNXBMFYSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246962227 1104753072 /nfs/dbraw/zinc/75/30/72/1104753072.db2.gz AXTQZABUPGSQRR-VJANTYMQSA-N 3 1 307.526 3.135 20 0 DGADMP CC[C@@H]1C[C@@H](N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246963173 1104754119 /nfs/dbraw/zinc/75/41/19/1104754119.db2.gz GKPPWAJUFMVLQN-HSALFYBXSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246965907 1104754329 /nfs/dbraw/zinc/75/43/29/1104754329.db2.gz RYKKZFKIOBYDKZ-KBAYOESNSA-N 2 1 324.509 3.479 20 0 DGADMP C[C@@H]1CC(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246970173 1104755226 /nfs/dbraw/zinc/75/52/26/1104755226.db2.gz SRCWLTMZZGFVHI-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)C2)c1 ZINC001246968497 1104755569 /nfs/dbraw/zinc/75/55/69/1104755569.db2.gz QCEIFXLAXZHCCS-KSZLIROESA-N 2 1 317.477 3.010 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246971657 1104755962 /nfs/dbraw/zinc/75/59/62/1104755962.db2.gz WQEMSPONZQWPMY-BHIYHBOVSA-N 3 1 309.542 3.479 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001275426895 1104756874 /nfs/dbraw/zinc/75/68/74/1104756874.db2.gz DJQIQZFDBACRFR-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001275426895 1104756877 /nfs/dbraw/zinc/75/68/77/1104756877.db2.gz DJQIQZFDBACRFR-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3ncccn3)cc1)C2 ZINC001275426895 1104756884 /nfs/dbraw/zinc/75/68/84/1104756884.db2.gz DJQIQZFDBACRFR-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973591 1104757076 /nfs/dbraw/zinc/75/70/76/1104757076.db2.gz OOPUAJSIMWGBKZ-IFXJQAMLSA-N 2 1 302.437 3.147 20 0 DGADMP C1C[C@H]([N@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)CN1 ZINC001246975285 1104758465 /nfs/dbraw/zinc/75/84/65/1104758465.db2.gz BQDZTEAFQUTTOV-GPJFCIFZSA-N 2 1 319.537 3.295 20 0 DGADMP C1C[C@H]([N@@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)CN1 ZINC001246975285 1104758469 /nfs/dbraw/zinc/75/84/69/1104758469.db2.gz BQDZTEAFQUTTOV-GPJFCIFZSA-N 2 1 319.537 3.295 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246980571 1104760830 /nfs/dbraw/zinc/76/08/30/1104760830.db2.gz SDCKBUNAXVFXKG-HOTGVXAUSA-N 2 1 304.434 3.014 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CO2 ZINC001246979677 1104761240 /nfs/dbraw/zinc/76/12/40/1104761240.db2.gz ZDJGZEYMDHYDQK-QGZVFWFLSA-N 2 1 320.864 3.250 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246987967 1104763499 /nfs/dbraw/zinc/76/34/99/1104763499.db2.gz VRBATFAPDXYGHW-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1ccc2cc(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)ccc2n1 ZINC001275456973 1104764842 /nfs/dbraw/zinc/76/48/42/1104764842.db2.gz LKWXSAQENVCSIQ-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996454 1104768655 /nfs/dbraw/zinc/76/86/55/1104768655.db2.gz XVSKVTXNIMDOQI-WCQYABFASA-N 2 1 302.340 3.158 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996454 1104768660 /nfs/dbraw/zinc/76/86/60/1104768660.db2.gz XVSKVTXNIMDOQI-WCQYABFASA-N 2 1 302.340 3.158 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC001246998094 1104770180 /nfs/dbraw/zinc/77/01/80/1104770180.db2.gz DTPSARQRUAKOEN-FGTMMUONSA-N 2 1 302.462 3.233 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3cccnc3cc1F)CC2 ZINC001275471972 1104770409 /nfs/dbraw/zinc/77/04/09/1104770409.db2.gz QAGPCHWKWQSNIN-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)C[C@H]2Cc3ccccc3O2)C[C@@H](CC)[NH2+]1 ZINC001246999454 1104770762 /nfs/dbraw/zinc/77/07/62/1104770762.db2.gz JEIULMFUNCMMAB-JFIYKMOQSA-N 2 1 302.462 3.231 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247000998 1104771446 /nfs/dbraw/zinc/77/14/46/1104771446.db2.gz YQZKJIGCRGVGNK-UIVXKWKOSA-N 2 1 314.448 3.389 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001247000404 1104771861 /nfs/dbraw/zinc/77/18/61/1104771861.db2.gz MAVIAFURYBFZHT-XYJFISCASA-N 2 1 302.462 3.089 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003043 1104772703 /nfs/dbraw/zinc/77/27/03/1104772703.db2.gz MPZGTTMAQKYXLW-MAQMMGONSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003043 1104772706 /nfs/dbraw/zinc/77/27/06/1104772706.db2.gz MPZGTTMAQKYXLW-MAQMMGONSA-N 2 1 305.853 3.064 20 0 DGADMP C[N@@H+](C[C@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001247003404 1104773011 /nfs/dbraw/zinc/77/30/11/1104773011.db2.gz VRYJHJQSEMQCNH-QZTJIDSGSA-N 2 1 314.473 3.377 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010908 1104775206 /nfs/dbraw/zinc/77/52/06/1104775206.db2.gz WPQDSJJPDSDUIG-UGUYLWEFSA-N 2 1 319.880 3.134 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010908 1104775213 /nfs/dbraw/zinc/77/52/13/1104775213.db2.gz WPQDSJJPDSDUIG-UGUYLWEFSA-N 2 1 319.880 3.134 20 0 DGADMP c1ccc(OC2CCC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247014531 1104777736 /nfs/dbraw/zinc/77/77/36/1104777736.db2.gz KQDFGBZOVBZGFX-KTLDDFEXSA-N 2 1 314.473 3.451 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247014531 1104777741 /nfs/dbraw/zinc/77/77/41/1104777741.db2.gz KQDFGBZOVBZGFX-KTLDDFEXSA-N 2 1 314.473 3.451 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247016862 1104779196 /nfs/dbraw/zinc/77/91/96/1104779196.db2.gz YKAQGTQKUNSICO-KVSKMBFKSA-N 2 1 302.462 3.090 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577553 1104817261 /nfs/dbraw/zinc/81/72/61/1104817261.db2.gz DMYUWQDAJIGGOC-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577553 1104817268 /nfs/dbraw/zinc/81/72/68/1104817268.db2.gz DMYUWQDAJIGGOC-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577553 1104817276 /nfs/dbraw/zinc/81/72/76/1104817276.db2.gz DMYUWQDAJIGGOC-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577553 1104817281 /nfs/dbraw/zinc/81/72/81/1104817281.db2.gz DMYUWQDAJIGGOC-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001275592245 1104824027 /nfs/dbraw/zinc/82/40/27/1104824027.db2.gz HLUDXFQCVPOWSF-INIZCTEOSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001275592245 1104824033 /nfs/dbraw/zinc/82/40/33/1104824033.db2.gz HLUDXFQCVPOWSF-INIZCTEOSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001275592245 1104824040 /nfs/dbraw/zinc/82/40/40/1104824040.db2.gz HLUDXFQCVPOWSF-INIZCTEOSA-N 2 1 323.525 3.042 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1OC(F)F)CC2 ZINC001275681080 1104860065 /nfs/dbraw/zinc/86/00/65/1104860065.db2.gz RASBNDNKGKJLOK-UHFFFAOYSA-N 2 1 310.388 3.206 20 0 DGADMP COc1cc(C)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001275802514 1104914021 /nfs/dbraw/zinc/91/40/21/1104914021.db2.gz FPFRCXNAFHEDSP-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(OC)cc(C)cc3OC)(C1)CCC2 ZINC001275802561 1104915047 /nfs/dbraw/zinc/91/50/47/1104915047.db2.gz GSDMEKJASBSCNV-RBUKOAKNSA-N 2 1 318.461 3.167 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001247698895 1104958897 /nfs/dbraw/zinc/95/88/97/1104958897.db2.gz PLYIKCYKZLOZOP-GFCCVEGCSA-N 2 1 320.780 3.265 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001280777192 1104985745 /nfs/dbraw/zinc/98/57/45/1104985745.db2.gz NWVGGOGZZPHBOE-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP COC1CCC(C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)CC1 ZINC001276023010 1104990643 /nfs/dbraw/zinc/99/06/43/1104990643.db2.gz NNDVMXMQJBXAHL-UHFFFAOYSA-N 2 1 306.494 3.142 20 0 DGADMP COC1CCC(C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)CC1 ZINC001276023010 1104990647 /nfs/dbraw/zinc/99/06/47/1104990647.db2.gz NNDVMXMQJBXAHL-UHFFFAOYSA-N 2 1 306.494 3.142 20 0 DGADMP c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001276060892 1105006732 /nfs/dbraw/zinc/00/67/32/1105006732.db2.gz WSCAMHORVVUVNU-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP c1ncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001276060892 1105006740 /nfs/dbraw/zinc/00/67/40/1105006740.db2.gz WSCAMHORVVUVNU-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001276060892 1105006748 /nfs/dbraw/zinc/00/67/48/1105006748.db2.gz WSCAMHORVVUVNU-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092188 1105015202 /nfs/dbraw/zinc/01/52/02/1105015202.db2.gz HBAGAMFMYGAJHC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092188 1105015209 /nfs/dbraw/zinc/01/52/09/1105015209.db2.gz HBAGAMFMYGAJHC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092188 1105015218 /nfs/dbraw/zinc/01/52/18/1105015218.db2.gz HBAGAMFMYGAJHC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092188 1105015226 /nfs/dbraw/zinc/01/52/26/1105015226.db2.gz HBAGAMFMYGAJHC-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH]cnc1C ZINC001276207087 1105048064 /nfs/dbraw/zinc/04/80/64/1105048064.db2.gz REDLHMHWVJMONI-ZACQAIPSSA-N 2 1 304.482 3.193 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@H]2CC1 ZINC001276217449 1105052106 /nfs/dbraw/zinc/05/21/06/1105052106.db2.gz IJBDSHKQZVDVBP-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@H]2CC1 ZINC001276217449 1105052112 /nfs/dbraw/zinc/05/21/12/1105052112.db2.gz IJBDSHKQZVDVBP-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)C[C@H]2CC1 ZINC001276217449 1105052120 /nfs/dbraw/zinc/05/21/20/1105052120.db2.gz IJBDSHKQZVDVBP-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP c1nc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)co1 ZINC001276238931 1105057980 /nfs/dbraw/zinc/05/79/80/1105057980.db2.gz SBDQYEUQJBDNSS-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP c1nc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)co1 ZINC001276238931 1105057987 /nfs/dbraw/zinc/05/79/87/1105057987.db2.gz SBDQYEUQJBDNSS-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP c1nocc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276253846 1105062918 /nfs/dbraw/zinc/06/29/18/1105062918.db2.gz MYWGOBUZBULWII-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC001248195008 1105065734 /nfs/dbraw/zinc/06/57/34/1105065734.db2.gz RGGRMMPTNCIPHA-ZDUSSCGKSA-N 2 1 308.813 3.122 20 0 DGADMP CCCC[C@H](C[NH2+]CC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001276261980 1105066685 /nfs/dbraw/zinc/06/66/85/1105066685.db2.gz RGYRXNSQQDDQKM-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cc[nH]c43)C[C@H]2C1 ZINC001248818697 1105170617 /nfs/dbraw/zinc/17/06/17/1105170617.db2.gz YEQYZYBIDXSTCP-HUUCEWRRSA-N 2 1 301.409 3.081 20 0 DGADMP CC(C)(C)c1ccc(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)cc1 ZINC001249328214 1105269207 /nfs/dbraw/zinc/26/92/07/1105269207.db2.gz QWNILJQDTJLTSR-OAHLLOKOSA-N 2 1 314.433 3.034 20 0 DGADMP CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)cc1 ZINC001249328212 1105269285 /nfs/dbraw/zinc/26/92/85/1105269285.db2.gz QWNILJQDTJLTSR-HNNXBMFYSA-N 2 1 314.433 3.034 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(SC)c(OC)c3)C[C@H]2C1 ZINC001249378597 1105277275 /nfs/dbraw/zinc/27/72/75/1105277275.db2.gz OJGQOSQETJDCEQ-IYBDPMFKSA-N 2 1 320.502 3.191 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000469884387 1105295734 /nfs/dbraw/zinc/29/57/34/1105295734.db2.gz NGHCSFVNUVUXAJ-QXAKKESOSA-N 2 1 302.462 3.425 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@@H]2C1 ZINC001249504270 1105300231 /nfs/dbraw/zinc/30/02/31/1105300231.db2.gz BEALOHHVUADPTO-CALCHBBNSA-N 2 1 324.424 3.178 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@@H]2C1 ZINC001249504270 1105300238 /nfs/dbraw/zinc/30/02/38/1105300238.db2.gz BEALOHHVUADPTO-CALCHBBNSA-N 2 1 324.424 3.178 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@@H]2C1 ZINC001249504270 1105300242 /nfs/dbraw/zinc/30/02/42/1105300242.db2.gz BEALOHHVUADPTO-CALCHBBNSA-N 2 1 324.424 3.178 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Oc4ccc(O)cc4)c3)C[C@@H]2C1 ZINC001249504270 1105300248 /nfs/dbraw/zinc/30/02/48/1105300248.db2.gz BEALOHHVUADPTO-CALCHBBNSA-N 2 1 324.424 3.178 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)cc4cc[nH]c43)C2)CC1 ZINC001249525136 1105304189 /nfs/dbraw/zinc/30/41/89/1105304189.db2.gz AFJINYLJJFOPJW-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP Cc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c(C)c1Cl ZINC001250204160 1105468937 /nfs/dbraw/zinc/46/89/37/1105468937.db2.gz QVZZSOCNEQMBKS-UHFFFAOYSA-N 2 1 323.912 3.026 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ncccc23)CC1 ZINC001137405908 1105516462 /nfs/dbraw/zinc/51/64/62/1105516462.db2.gz UASPEXWCZBDBQK-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP O[C@@H](C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001251988132 1105719944 /nfs/dbraw/zinc/71/99/44/1105719944.db2.gz IBUHJIGBXUGFIH-OALUTQOASA-N 2 1 302.462 3.060 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001252120326 1105743833 /nfs/dbraw/zinc/74/38/33/1105743833.db2.gz SVAFLRRPHZLBJV-WDSOQIARSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC(C)(C)O)CC1 ZINC001252356050 1105771417 /nfs/dbraw/zinc/77/14/17/1105771417.db2.gz RDYAZUMNMYUGOB-UHFFFAOYSA-N 2 1 310.869 3.007 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC(C)(C)O)CC1 ZINC001252356050 1105771418 /nfs/dbraw/zinc/77/14/18/1105771418.db2.gz RDYAZUMNMYUGOB-UHFFFAOYSA-N 2 1 310.869 3.007 20 0 DGADMP CCC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252789831 1105832605 /nfs/dbraw/zinc/83/26/05/1105832605.db2.gz OSEDPNNEJGDATR-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252789831 1105832612 /nfs/dbraw/zinc/83/26/12/1105832612.db2.gz OSEDPNNEJGDATR-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252789831 1105832618 /nfs/dbraw/zinc/83/26/18/1105832618.db2.gz OSEDPNNEJGDATR-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916621 1105854737 /nfs/dbraw/zinc/85/47/37/1105854737.db2.gz GAFYWEDNGFFBRK-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916621 1105854739 /nfs/dbraw/zinc/85/47/39/1105854739.db2.gz GAFYWEDNGFFBRK-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916621 1105854744 /nfs/dbraw/zinc/85/47/44/1105854744.db2.gz GAFYWEDNGFFBRK-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP CCC[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)CC ZINC001252916621 1105854748 /nfs/dbraw/zinc/85/47/48/1105854748.db2.gz GAFYWEDNGFFBRK-PKOBYXMFSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC001252935870 1105856335 /nfs/dbraw/zinc/85/63/35/1105856335.db2.gz CJCGGQQUHWYJRX-IHPCNDPISA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252935870 1105856342 /nfs/dbraw/zinc/85/63/42/1105856342.db2.gz CJCGGQQUHWYJRX-IHPCNDPISA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252935870 1105856348 /nfs/dbraw/zinc/85/63/48/1105856348.db2.gz CJCGGQQUHWYJRX-IHPCNDPISA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252935870 1105856354 /nfs/dbraw/zinc/85/63/54/1105856354.db2.gz CJCGGQQUHWYJRX-IHPCNDPISA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252935870 1105856362 /nfs/dbraw/zinc/85/63/62/1105856362.db2.gz CJCGGQQUHWYJRX-IHPCNDPISA-N 2 1 316.489 3.134 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001253181286 1105900251 /nfs/dbraw/zinc/90/02/51/1105900251.db2.gz SICDNSJAKCZLDY-GOSISDBHSA-N 2 1 324.896 3.222 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001253192795 1105901472 /nfs/dbraw/zinc/90/14/72/1105901472.db2.gz XXMLHQKJMWMXLQ-MOPGFXCFSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC001253216566 1105904856 /nfs/dbraw/zinc/90/48/56/1105904856.db2.gz NPTHMVRGLFNNNC-DYVFJYSZSA-N 2 1 310.869 3.010 20 0 DGADMP C[C@H]1C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)CCc2ccc(Cl)cc21 ZINC001253394075 1105933926 /nfs/dbraw/zinc/93/39/26/1105933926.db2.gz FNGOHTBTAVTQIB-XJKSGUPXSA-N 2 1 324.896 3.051 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)CCc2ccc(Cl)cc21 ZINC001253394075 1105933930 /nfs/dbraw/zinc/93/39/30/1105933930.db2.gz FNGOHTBTAVTQIB-XJKSGUPXSA-N 2 1 324.896 3.051 20 0 DGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC001253395886 1105934887 /nfs/dbraw/zinc/93/48/87/1105934887.db2.gz ORNHDRZLYOSUMP-MSOLQXFVSA-N 2 1 304.478 3.189 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cccc(-c2cccs2)c1 ZINC001253407167 1105935960 /nfs/dbraw/zinc/93/59/60/1105935960.db2.gz GBSQKNHKCINZNE-INIZCTEOSA-N 2 1 318.486 3.254 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1cccc(F)c1 ZINC001253410067 1105936089 /nfs/dbraw/zinc/93/60/89/1105936089.db2.gz AOCWQAFJAJJJPI-ZWKOTPCHSA-N 2 1 322.468 3.396 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001253549014 1105956832 /nfs/dbraw/zinc/95/68/32/1105956832.db2.gz KLFCEPJNEOHNEX-UXHICEINSA-N 2 1 318.505 3.429 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC001253613240 1105964174 /nfs/dbraw/zinc/96/41/74/1105964174.db2.gz ZSGFWDDTGYBULS-GGPKGHCWSA-N 2 1 316.489 3.476 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253730689 1105975446 /nfs/dbraw/zinc/97/54/46/1105975446.db2.gz GSDPGVGLMQWFJC-GOSISDBHSA-N 2 1 322.468 3.129 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253730689 1105975447 /nfs/dbraw/zinc/97/54/47/1105975447.db2.gz GSDPGVGLMQWFJC-GOSISDBHSA-N 2 1 322.468 3.129 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC001253748487 1105979248 /nfs/dbraw/zinc/97/92/48/1105979248.db2.gz IPSFSFDOGYXKHG-NZSAHSFTSA-N 2 1 318.505 3.141 20 0 DGADMP C1=C2CCC[NH+]([C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001254385296 1106064086 /nfs/dbraw/zinc/06/40/86/1106064086.db2.gz BWKYUQXDYQNLNU-OMQSBVIBSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[NH+]([C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001254385296 1106064092 /nfs/dbraw/zinc/06/40/92/1106064092.db2.gz BWKYUQXDYQNLNU-OMQSBVIBSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[N@H+]([C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001254385296 1106064098 /nfs/dbraw/zinc/06/40/98/1106064098.db2.gz BWKYUQXDYQNLNU-OMQSBVIBSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[N@@H+]([C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001254385296 1106064105 /nfs/dbraw/zinc/06/41/05/1106064105.db2.gz BWKYUQXDYQNLNU-OMQSBVIBSA-N 2 1 316.489 3.060 20 0 DGADMP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1C1CCc2ccccc2CC1 ZINC001254456272 1106074925 /nfs/dbraw/zinc/07/49/25/1106074925.db2.gz WBIQZRDDFUSXLT-OAQYLSRUSA-N 2 1 306.453 3.320 20 0 DGADMP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1C1CCc2ccccc2CC1 ZINC001254456272 1106074931 /nfs/dbraw/zinc/07/49/31/1106074931.db2.gz WBIQZRDDFUSXLT-OAQYLSRUSA-N 2 1 306.453 3.320 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001254486549 1106079636 /nfs/dbraw/zinc/07/96/36/1106079636.db2.gz CMBSMRAMEBGDNM-HXUWFJFHSA-N 2 1 317.521 3.015 20 0 DGADMP C[N@H+]1CCC[C@H](NCc2cccc(Br)c2F)CC1 ZINC001254498324 1106081937 /nfs/dbraw/zinc/08/19/37/1106081937.db2.gz VSBGSWIMWDYJNF-LBPRGKRZSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(Br)c2F)CC1 ZINC001254498324 1106081941 /nfs/dbraw/zinc/08/19/41/1106081941.db2.gz VSBGSWIMWDYJNF-LBPRGKRZSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(Br)c2F)CC1 ZINC001254498324 1106081945 /nfs/dbraw/zinc/08/19/45/1106081945.db2.gz VSBGSWIMWDYJNF-LBPRGKRZSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(N3CCCCC3)c2)CC1 ZINC001254500840 1106082971 /nfs/dbraw/zinc/08/29/71/1106082971.db2.gz MCNKLQIGEWCNQJ-GOSISDBHSA-N 2 1 301.478 3.251 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506763 1106084614 /nfs/dbraw/zinc/08/46/14/1106084614.db2.gz ZEEXPUVGBOPETC-LSDHHAIUSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506763 1106084617 /nfs/dbraw/zinc/08/46/17/1106084617.db2.gz ZEEXPUVGBOPETC-LSDHHAIUSA-N 2 1 317.260 3.101 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC001254506393 1106084712 /nfs/dbraw/zinc/08/47/12/1106084712.db2.gz RJNWEVMBKKWSSZ-CVEARBPZSA-N 2 1 324.852 3.018 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC001254506393 1106084716 /nfs/dbraw/zinc/08/47/16/1106084716.db2.gz RJNWEVMBKKWSSZ-CVEARBPZSA-N 2 1 324.852 3.018 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254502593 1106085655 /nfs/dbraw/zinc/08/56/55/1106085655.db2.gz GSKLZMYTNCACAY-GFCCVEGCSA-N 2 1 316.367 3.288 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254502593 1106085661 /nfs/dbraw/zinc/08/56/61/1106085661.db2.gz GSKLZMYTNCACAY-GFCCVEGCSA-N 2 1 316.367 3.288 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001254509274 1106087427 /nfs/dbraw/zinc/08/74/27/1106087427.db2.gz XWBMKYBIOWDTMT-RTBURBONSA-N 2 1 320.452 3.367 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254510843 1106087735 /nfs/dbraw/zinc/08/77/35/1106087735.db2.gz YHUAYWAJPHJJKS-AWEZNQCLSA-N 2 1 311.267 3.331 20 0 DGADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254519510 1106090717 /nfs/dbraw/zinc/09/07/17/1106090717.db2.gz IWZOWWHNYHHNMQ-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254517262 1106091038 /nfs/dbraw/zinc/09/10/38/1106091038.db2.gz SSFUVYJKCFMAJQ-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254517262 1106091046 /nfs/dbraw/zinc/09/10/46/1106091046.db2.gz SSFUVYJKCFMAJQ-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254517262 1106091051 /nfs/dbraw/zinc/09/10/51/1106091051.db2.gz SSFUVYJKCFMAJQ-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254517262 1106091057 /nfs/dbraw/zinc/09/10/57/1106091057.db2.gz SSFUVYJKCFMAJQ-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc(C2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254523587 1106093526 /nfs/dbraw/zinc/09/35/26/1106093526.db2.gz PKTDJNHADZHMNB-GOSISDBHSA-N 2 1 302.462 3.359 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001254531380 1106095992 /nfs/dbraw/zinc/09/59/92/1106095992.db2.gz KGOOEGNTPQPBJH-WBVHZDCISA-N 2 1 308.466 3.476 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001254531380 1106095998 /nfs/dbraw/zinc/09/59/98/1106095998.db2.gz KGOOEGNTPQPBJH-WBVHZDCISA-N 2 1 308.466 3.476 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001254531380 1106096004 /nfs/dbraw/zinc/09/60/04/1106096004.db2.gz KGOOEGNTPQPBJH-WBVHZDCISA-N 2 1 308.466 3.476 20 0 DGADMP COc1cccc(C2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254532813 1106096662 /nfs/dbraw/zinc/09/66/62/1106096662.db2.gz XLQWTNZVYMFHFJ-SFHVURJKSA-N 2 1 302.462 3.359 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2Cc3ccccc3C2)CC1 ZINC001255016966 1106165968 /nfs/dbraw/zinc/16/59/68/1106165968.db2.gz ZIXVEURUGGIRII-MXVIHJGJSA-N 2 1 321.468 3.321 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC001255037074 1106171275 /nfs/dbraw/zinc/17/12/75/1106171275.db2.gz OXVOGXOKWKDMAQ-QAQDUYKDSA-N 2 1 306.425 3.077 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255089043 1106176793 /nfs/dbraw/zinc/17/67/93/1106176793.db2.gz LRSZSYATROSVMK-ROUUACIJSA-N 2 1 316.514 3.254 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](C2CCSCC2)CC3)co1 ZINC001255092640 1106177031 /nfs/dbraw/zinc/17/70/31/1106177031.db2.gz BJWPQOAECUFEAO-UHFFFAOYSA-N 2 1 320.502 3.463 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCSCC4)C[C@H]3C2)cc1 ZINC001255093937 1106178161 /nfs/dbraw/zinc/17/81/61/1106178161.db2.gz BGCRPXUPTRPGGX-ZWKOTPCHSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCSCC4)C[C@H]3C2)cc1 ZINC001255093937 1106178164 /nfs/dbraw/zinc/17/81/64/1106178164.db2.gz BGCRPXUPTRPGGX-ZWKOTPCHSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCSCC4)C[C@H]3C2)cc1 ZINC001255093937 1106178167 /nfs/dbraw/zinc/17/81/67/1106178167.db2.gz BGCRPXUPTRPGGX-ZWKOTPCHSA-N 2 1 316.514 3.336 20 0 DGADMP c1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001255122574 1106183931 /nfs/dbraw/zinc/18/39/31/1106183931.db2.gz RODBQCIJRFMYDV-OSYLJGHBSA-N 2 1 313.470 3.428 20 0 DGADMP c1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001255122574 1106183935 /nfs/dbraw/zinc/18/39/35/1106183935.db2.gz RODBQCIJRFMYDV-OSYLJGHBSA-N 2 1 313.470 3.428 20 0 DGADMP Cc1cnc(CC[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124239 1106184005 /nfs/dbraw/zinc/18/40/05/1106184005.db2.gz IMDPENLWJYOJDV-BWTSREIZSA-N 2 1 324.472 3.061 20 0 DGADMP [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255123166 1106184237 /nfs/dbraw/zinc/18/42/37/1106184237.db2.gz ZPEYZYUXRJNOJK-YHDCXSKOSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255123166 1106184239 /nfs/dbraw/zinc/18/42/39/1106184239.db2.gz ZPEYZYUXRJNOJK-YHDCXSKOSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255123166 1106184241 /nfs/dbraw/zinc/18/42/41/1106184241.db2.gz ZPEYZYUXRJNOJK-YHDCXSKOSA-N 3 1 313.489 3.042 20 0 DGADMP O[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255125127 1106185023 /nfs/dbraw/zinc/18/50/23/1106185023.db2.gz BFYHRLFLDDCUGZ-NCQGUEQISA-N 2 1 314.473 3.075 20 0 DGADMP CC(C)N(CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124890 1106185052 /nfs/dbraw/zinc/18/50/52/1106185052.db2.gz PJFGZCARKTUSES-ACDBMABISA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]([NH3+])c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255127737 1106185089 /nfs/dbraw/zinc/18/50/89/1106185089.db2.gz CDWCKFYKYWPTKP-BGTYHANMSA-N 2 1 310.445 3.271 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127143 1106185379 /nfs/dbraw/zinc/18/53/79/1106185379.db2.gz RCBPVYCIMSUBBT-XLNTUCKNSA-N 2 1 322.456 3.323 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127143 1106185380 /nfs/dbraw/zinc/18/53/80/1106185380.db2.gz RCBPVYCIMSUBBT-XLNTUCKNSA-N 2 1 322.456 3.323 20 0 DGADMP CC(C)(O)C(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133526 1106186017 /nfs/dbraw/zinc/18/60/17/1106186017.db2.gz UEXFFRUFZSMCIH-BCDXTJNWSA-N 2 1 316.489 3.321 20 0 DGADMP [NH3+]Cc1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255130056 1106186172 /nfs/dbraw/zinc/18/61/72/1106186172.db2.gz QSPYKDNEMFQEIC-ACDBMABISA-N 2 1 322.456 3.148 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151344 1106191217 /nfs/dbraw/zinc/19/12/17/1106191217.db2.gz XDZJEFNJIIECFA-GEALJGNFSA-N 2 1 314.473 3.149 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCSC4)CC[C@H]3C2)cc1 ZINC001255295753 1106217859 /nfs/dbraw/zinc/21/78/59/1106217859.db2.gz PVGSVJCKTMENAM-IPMKNSEASA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCSC4)CC[C@H]3C2)cc1 ZINC001255295753 1106217865 /nfs/dbraw/zinc/21/78/65/1106217865.db2.gz PVGSVJCKTMENAM-IPMKNSEASA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCSC4)CC[C@H]3C2)cc1 ZINC001255295753 1106217868 /nfs/dbraw/zinc/21/78/68/1106217868.db2.gz PVGSVJCKTMENAM-IPMKNSEASA-N 2 1 316.514 3.336 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351722 1106230131 /nfs/dbraw/zinc/23/01/31/1106230131.db2.gz YKHXXKRGLUFCFL-BRSBDYLESA-N 2 1 322.493 3.090 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001255376331 1106235096 /nfs/dbraw/zinc/23/50/96/1106235096.db2.gz BFZHRUYGHYITNR-RTBURBONSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@]1(O)CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255376501 1106235559 /nfs/dbraw/zinc/23/55/59/1106235559.db2.gz BYBXRYCLNXQJOK-VAMGGRTRSA-N 2 1 316.489 3.324 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CCOCC3)CC2)cc1 ZINC001255380215 1106236885 /nfs/dbraw/zinc/23/68/85/1106236885.db2.gz IYHAOOOPWAFJSR-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP CC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC001255392631 1106238929 /nfs/dbraw/zinc/23/89/29/1106238929.db2.gz HJLSFDYMKOQPAE-IBGZPJMESA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389657 1106238976 /nfs/dbraw/zinc/23/89/76/1106238976.db2.gz PCDMIQBMYJXVIP-MOPGFXCFSA-N 2 1 304.478 3.038 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC001255390583 1106239417 /nfs/dbraw/zinc/23/94/17/1106239417.db2.gz JDYXWANESPDMJD-MSOLQXFVSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC001255390585 1106239927 /nfs/dbraw/zinc/23/99/27/1106239927.db2.gz JDYXWANESPDMJD-ROUUACIJSA-N 2 1 302.462 3.198 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001255392895 1106241727 /nfs/dbraw/zinc/24/17/27/1106241727.db2.gz MTQCWERTOZEBBV-MOPGFXCFSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394618 1106241786 /nfs/dbraw/zinc/24/17/86/1106241786.db2.gz WPBUTXZPNVNPEM-APWZRJJASA-N 2 1 312.461 3.125 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC001255394618 1106241788 /nfs/dbraw/zinc/24/17/88/1106241788.db2.gz WPBUTXZPNVNPEM-APWZRJJASA-N 2 1 312.461 3.125 20 0 DGADMP C[C@]1(O)CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397768 1106242779 /nfs/dbraw/zinc/24/27/79/1106242779.db2.gz GVQHSEAOMPCLCA-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397768 1106242781 /nfs/dbraw/zinc/24/27/81/1106242781.db2.gz GVQHSEAOMPCLCA-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397768 1106242784 /nfs/dbraw/zinc/24/27/84/1106242784.db2.gz GVQHSEAOMPCLCA-PMACEKPBSA-N 2 1 316.489 3.278 20 0 DGADMP CC(=O)C1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255406977 1106246342 /nfs/dbraw/zinc/24/63/42/1106246342.db2.gz VFAIEUXXFLEKAW-HXUWFJFHSA-N 2 1 314.473 3.342 20 0 DGADMP CC(=O)C1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406977 1106246344 /nfs/dbraw/zinc/24/63/44/1106246344.db2.gz VFAIEUXXFLEKAW-HXUWFJFHSA-N 2 1 314.473 3.342 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(C)C1 ZINC001255476557 1106256396 /nfs/dbraw/zinc/25/63/96/1106256396.db2.gz FXMLYFUFWQKVQX-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255534067 1106265430 /nfs/dbraw/zinc/26/54/30/1106265430.db2.gz OYXWMFWZMBKDCG-KZNAEPCWSA-N 2 1 317.477 3.111 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001255548273 1106267464 /nfs/dbraw/zinc/26/74/64/1106267464.db2.gz CEKWCGXLCWGPQK-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001255548273 1106267466 /nfs/dbraw/zinc/26/74/66/1106267466.db2.gz CEKWCGXLCWGPQK-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001255548273 1106267471 /nfs/dbraw/zinc/26/74/71/1106267471.db2.gz CEKWCGXLCWGPQK-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP COc1c(F)cc(F)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255661347 1106288339 /nfs/dbraw/zinc/28/83/39/1106288339.db2.gz ADLLLOVXBVBVQV-GOOCMWNKSA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)cc(F)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661347 1106288342 /nfs/dbraw/zinc/28/83/42/1106288342.db2.gz ADLLLOVXBVBVQV-GOOCMWNKSA-N 2 1 310.388 3.078 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001255667830 1106290166 /nfs/dbraw/zinc/29/01/66/1106290166.db2.gz AKRWWVSYQJYKJM-YCXXCVGLSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001255667830 1106290168 /nfs/dbraw/zinc/29/01/68/1106290168.db2.gz AKRWWVSYQJYKJM-YCXXCVGLSA-N 2 1 300.446 3.424 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681731 1106293552 /nfs/dbraw/zinc/29/35/52/1106293552.db2.gz DKSBYBGEFDIIPF-YOFSQIOKSA-N 2 1 315.505 3.066 20 0 DGADMP CN(CC[NH+](C)Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681731 1106293556 /nfs/dbraw/zinc/29/35/56/1106293556.db2.gz DKSBYBGEFDIIPF-YOFSQIOKSA-N 2 1 315.505 3.066 20 0 DGADMP CN(CC[NH+](C)Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681731 1106293558 /nfs/dbraw/zinc/29/35/58/1106293558.db2.gz DKSBYBGEFDIIPF-YOFSQIOKSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)cc1 ZINC001255782613 1106315584 /nfs/dbraw/zinc/31/55/84/1106315584.db2.gz XYLQUTFGNCOSHM-FXAWDEMLSA-N 2 1 316.489 3.017 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)cc1 ZINC001255782613 1106315586 /nfs/dbraw/zinc/31/55/86/1106315586.db2.gz XYLQUTFGNCOSHM-FXAWDEMLSA-N 2 1 316.489 3.017 20 0 DGADMP c1cn(Cc2noc3c2C[N@H+](C2CCCCCC2)CC3)cn1 ZINC001255888379 1106339198 /nfs/dbraw/zinc/33/91/98/1106339198.db2.gz HNYILPCTJPPPGG-UHFFFAOYSA-N 2 1 300.406 3.000 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC001255942923 1106346304 /nfs/dbraw/zinc/34/63/04/1106346304.db2.gz JDNMLXMOBIKQBS-LSDHHAIUSA-N 2 1 308.466 3.475 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1cccc(C(=O)OC)c1 ZINC001255949312 1106347131 /nfs/dbraw/zinc/34/71/31/1106347131.db2.gz VYUNCSJEIYPYHE-LSDHHAIUSA-N 2 1 306.450 3.244 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC001255948953 1106347561 /nfs/dbraw/zinc/34/75/61/1106347561.db2.gz RWQWFABFEJTNBJ-GFCCVEGCSA-N 2 1 303.372 3.310 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC001255952143 1106347834 /nfs/dbraw/zinc/34/78/34/1106347834.db2.gz TUYKXOSMACYESY-WMLDXEAASA-N 2 1 306.450 3.229 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1cnc2c(C)cccn12 ZINC001255953220 1106348192 /nfs/dbraw/zinc/34/81/92/1106348192.db2.gz ZFWOZPVUDYVRIL-HOTGVXAUSA-N 2 1 302.466 3.414 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001255952167 1106348358 /nfs/dbraw/zinc/34/83/58/1106348358.db2.gz CXTIYMZAYQYACM-ICSRJNTNSA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2C)C1 ZINC001255952167 1106348359 /nfs/dbraw/zinc/34/83/59/1106348359.db2.gz CXTIYMZAYQYACM-ICSRJNTNSA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001255952170 1106348365 /nfs/dbraw/zinc/34/83/65/1106348365.db2.gz CXTIYMZAYQYACM-QUCCMNQESA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2C)C1 ZINC001255952170 1106348366 /nfs/dbraw/zinc/34/83/66/1106348366.db2.gz CXTIYMZAYQYACM-QUCCMNQESA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255960481 1106349890 /nfs/dbraw/zinc/34/98/90/1106349890.db2.gz HWOSWALXOKHKSK-LJQANCHMSA-N 2 1 317.521 3.315 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001255961468 1106350542 /nfs/dbraw/zinc/35/05/42/1106350542.db2.gz NBDIRWZHYXNORR-PKOBYXMFSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CCC(C2CC[NH+](C)CC2)CC1 ZINC001255963693 1106350613 /nfs/dbraw/zinc/35/06/13/1106350613.db2.gz JOVQBGUEVHFZQV-KRWDZBQOSA-N 2 1 309.542 3.161 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@H](C)CC[NH+](CC)CC)C[C@H]1C ZINC001255968598 1106351671 /nfs/dbraw/zinc/35/16/71/1106351671.db2.gz CSDGBSNLKOCTKU-ZACQAIPSSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001255971841 1106353275 /nfs/dbraw/zinc/35/32/75/1106353275.db2.gz LMTSGTVLJCXJKB-OAHLLOKOSA-N 2 1 323.456 3.184 20 0 DGADMP c1cc(S[C@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)ccn1 ZINC001256078371 1106366252 /nfs/dbraw/zinc/36/62/52/1106366252.db2.gz WIGJJWTTYGZJLK-SFHVURJKSA-N 2 1 317.502 3.265 20 0 DGADMP c1cc(S[C@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)ccn1 ZINC001256078371 1106366255 /nfs/dbraw/zinc/36/62/55/1106366255.db2.gz WIGJJWTTYGZJLK-SFHVURJKSA-N 2 1 317.502 3.265 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001256150136 1106379030 /nfs/dbraw/zinc/37/90/30/1106379030.db2.gz WNRYRAHWHNGNGR-NRSFXHEJSA-N 2 1 302.462 3.231 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001256150136 1106379036 /nfs/dbraw/zinc/37/90/36/1106379036.db2.gz WNRYRAHWHNGNGR-NRSFXHEJSA-N 2 1 302.462 3.231 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001256154569 1106380278 /nfs/dbraw/zinc/38/02/78/1106380278.db2.gz WNRYRAHWHNGNGR-DDBAPUKQSA-N 2 1 302.462 3.231 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001256154569 1106380283 /nfs/dbraw/zinc/38/02/83/1106380283.db2.gz WNRYRAHWHNGNGR-DDBAPUKQSA-N 2 1 302.462 3.231 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2cccc(OC)c2)CC1 ZINC001256163818 1106381730 /nfs/dbraw/zinc/38/17/30/1106381730.db2.gz GWCUHYBZEPZGPJ-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256300126 1106401650 /nfs/dbraw/zinc/40/16/50/1106401650.db2.gz AYWCCUQVSOIPRW-MRXNPFEDSA-N 2 1 321.896 3.383 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520458 1106433017 /nfs/dbraw/zinc/43/30/17/1106433017.db2.gz OVEZXEFQJCJIMB-FRYIKTPZSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520458 1106433019 /nfs/dbraw/zinc/43/30/19/1106433019.db2.gz OVEZXEFQJCJIMB-FRYIKTPZSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520463 1106433592 /nfs/dbraw/zinc/43/35/92/1106433592.db2.gz OVEZXEFQJCJIMB-VBSBHUPXSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520463 1106433594 /nfs/dbraw/zinc/43/35/94/1106433594.db2.gz OVEZXEFQJCJIMB-VBSBHUPXSA-N 2 1 316.489 3.323 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536973 1106436249 /nfs/dbraw/zinc/43/62/49/1106436249.db2.gz LUPHPZJBVJGVTN-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536973 1106436251 /nfs/dbraw/zinc/43/62/51/1106436251.db2.gz LUPHPZJBVJGVTN-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[N@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537596 1106436544 /nfs/dbraw/zinc/43/65/44/1106436544.db2.gz OOZWJXACZMGWGY-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[N@@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537596 1106436548 /nfs/dbraw/zinc/43/65/48/1106436548.db2.gz OOZWJXACZMGWGY-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537596 1106436551 /nfs/dbraw/zinc/43/65/51/1106436551.db2.gz OOZWJXACZMGWGY-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537596 1106436556 /nfs/dbraw/zinc/43/65/56/1106436556.db2.gz OOZWJXACZMGWGY-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535987 1106436845 /nfs/dbraw/zinc/43/68/45/1106436845.db2.gz BKFIDWKIJGLKRM-FFGOWVMKSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535987 1106436848 /nfs/dbraw/zinc/43/68/48/1106436848.db2.gz BKFIDWKIJGLKRM-FFGOWVMKSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535987 1106436851 /nfs/dbraw/zinc/43/68/51/1106436851.db2.gz BKFIDWKIJGLKRM-FFGOWVMKSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535987 1106436854 /nfs/dbraw/zinc/43/68/54/1106436854.db2.gz BKFIDWKIJGLKRM-FFGOWVMKSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536122 1106437067 /nfs/dbraw/zinc/43/70/67/1106437067.db2.gz FKLKDOYROPQCIK-APWZRJJASA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536122 1106437068 /nfs/dbraw/zinc/43/70/68/1106437068.db2.gz FKLKDOYROPQCIK-APWZRJJASA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536122 1106437071 /nfs/dbraw/zinc/43/70/71/1106437071.db2.gz FKLKDOYROPQCIK-APWZRJJASA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536122 1106437073 /nfs/dbraw/zinc/43/70/73/1106437073.db2.gz FKLKDOYROPQCIK-APWZRJJASA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCO1 ZINC001256537378 1106437203 /nfs/dbraw/zinc/43/72/03/1106437203.db2.gz MPUWPZGYHIZNCU-CAMMJAKZSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCO1 ZINC001256537378 1106437205 /nfs/dbraw/zinc/43/72/05/1106437205.db2.gz MPUWPZGYHIZNCU-CAMMJAKZSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256538670 1106438055 /nfs/dbraw/zinc/43/80/55/1106438055.db2.gz VBCFRZSKACBIFC-AZUAARDMSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CCCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541799 1106439352 /nfs/dbraw/zinc/43/93/52/1106439352.db2.gz NJYSSPANLRGBPM-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541799 1106439354 /nfs/dbraw/zinc/43/93/54/1106439354.db2.gz NJYSSPANLRGBPM-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541799 1106439357 /nfs/dbraw/zinc/43/93/57/1106439357.db2.gz NJYSSPANLRGBPM-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541799 1106439359 /nfs/dbraw/zinc/43/93/59/1106439359.db2.gz NJYSSPANLRGBPM-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCO3)C2)CCN1Cc1ccccc1 ZINC001256552931 1106440841 /nfs/dbraw/zinc/44/08/41/1106440841.db2.gz FRAJPUAGNKAIDQ-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552931 1106440845 /nfs/dbraw/zinc/44/08/45/1106440845.db2.gz FRAJPUAGNKAIDQ-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552931 1106440849 /nfs/dbraw/zinc/44/08/49/1106440849.db2.gz FRAJPUAGNKAIDQ-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552931 1106440851 /nfs/dbraw/zinc/44/08/51/1106440851.db2.gz FRAJPUAGNKAIDQ-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552931 1106440854 /nfs/dbraw/zinc/44/08/54/1106440854.db2.gz FRAJPUAGNKAIDQ-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP COc1cc([C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)ccn1 ZINC001256565618 1106446652 /nfs/dbraw/zinc/44/66/52/1106446652.db2.gz FBQDEPNABMWKAL-SFHVURJKSA-N 2 1 317.477 3.394 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001256571963 1106447815 /nfs/dbraw/zinc/44/78/15/1106447815.db2.gz NGBIZIXHBYHPBC-GOSISDBHSA-N 2 1 302.462 3.403 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001256571963 1106447817 /nfs/dbraw/zinc/44/78/17/1106447817.db2.gz NGBIZIXHBYHPBC-GOSISDBHSA-N 2 1 302.462 3.403 20 0 DGADMP [NH3+]CCCCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256600772 1106452132 /nfs/dbraw/zinc/45/21/32/1106452132.db2.gz FRUBBDUEDDTYOP-UHFFFAOYSA-N 3 1 303.494 3.150 20 0 DGADMP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001256604561 1106453094 /nfs/dbraw/zinc/45/30/94/1106453094.db2.gz SGLKVEIIAUKEPS-PXNSSMCTSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001256604561 1106453095 /nfs/dbraw/zinc/45/30/95/1106453095.db2.gz SGLKVEIIAUKEPS-PXNSSMCTSA-N 2 1 316.489 3.134 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256619433 1106455418 /nfs/dbraw/zinc/45/54/18/1106455418.db2.gz ZJGHUWPYVFQSSP-JLYLLQBASA-N 3 1 307.526 3.102 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001256619433 1106455423 /nfs/dbraw/zinc/45/54/23/1106455423.db2.gz ZJGHUWPYVFQSSP-JLYLLQBASA-N 2 1 307.526 3.102 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001256626787 1106456040 /nfs/dbraw/zinc/45/60/40/1106456040.db2.gz UCJQPGPUPHRBNN-SUTQANCOSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256626787 1106456043 /nfs/dbraw/zinc/45/60/43/1106456043.db2.gz UCJQPGPUPHRBNN-SUTQANCOSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256626787 1106456048 /nfs/dbraw/zinc/45/60/48/1106456048.db2.gz UCJQPGPUPHRBNN-SUTQANCOSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001256643528 1106460684 /nfs/dbraw/zinc/46/06/84/1106460684.db2.gz NLDCSSMROGEEMK-SJLPKXTDSA-N 2 1 316.489 3.394 20 0 DGADMP C[C@H]1Cc2ccccc2C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696122 1106470581 /nfs/dbraw/zinc/47/05/81/1106470581.db2.gz VXFRNCLESYBEQI-DZIBYMRMSA-N 2 1 314.473 3.077 20 0 DGADMP C1CC2(C[N@H+]1C1CCC([NH+]3CCOCC3)CC1)CCCCC2 ZINC001256699766 1106470911 /nfs/dbraw/zinc/47/09/11/1106470911.db2.gz NWNUPUKIQCPPIV-UHFFFAOYSA-N 2 1 306.494 3.286 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccccc1Br ZINC001256826288 1106492458 /nfs/dbraw/zinc/49/24/58/1106492458.db2.gz IOCGNQRPQAZLJN-CYBMUJFWSA-N 2 1 313.283 3.439 20 0 DGADMP FC1(F)CC[C@@H]2C[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC001256857624 1106498593 /nfs/dbraw/zinc/49/85/93/1106498593.db2.gz VSZLOAGSTPGLCG-CJNGLKHVSA-N 2 1 307.388 3.028 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)nc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860696 1106499196 /nfs/dbraw/zinc/49/91/96/1106499196.db2.gz CNFSUFDSAOLIPS-UHFFFAOYSA-N 2 1 316.836 3.231 20 0 DGADMP COc1ccccc1CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895337 1106503848 /nfs/dbraw/zinc/50/38/48/1106503848.db2.gz BAPMKSHIKSLBSS-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccccc1CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895337 1106503851 /nfs/dbraw/zinc/50/38/51/1106503851.db2.gz BAPMKSHIKSLBSS-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256897917 1106504754 /nfs/dbraw/zinc/50/47/54/1106504754.db2.gz VMACGUWJEVDKPW-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256897917 1106504757 /nfs/dbraw/zinc/50/47/57/1106504757.db2.gz VMACGUWJEVDKPW-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP [NH2+]=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(Cl)nc1 ZINC001256896704 1106504774 /nfs/dbraw/zinc/50/47/74/1106504774.db2.gz DHPDOUVAYZJUJN-ZDUSSCGKSA-N 2 1 306.841 3.057 20 0 DGADMP [NH3+]CC[C@H]1CN([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256900801 1106505594 /nfs/dbraw/zinc/50/55/94/1106505594.db2.gz BLNZJZWQQGMCPV-FUHWJXTLSA-N 2 1 313.489 3.346 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900482 1106505754 /nfs/dbraw/zinc/50/57/54/1106505754.db2.gz NHRCPHAJDUTXCV-MSOLQXFVSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900482 1106505758 /nfs/dbraw/zinc/50/57/58/1106505758.db2.gz NHRCPHAJDUTXCV-MSOLQXFVSA-N 3 1 309.542 3.494 20 0 DGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901878 1106505818 /nfs/dbraw/zinc/50/58/18/1106505818.db2.gz LJXOHEBXVWHWBF-ROUUACIJSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901877 1106506128 /nfs/dbraw/zinc/50/61/28/1106506128.db2.gz LJXOHEBXVWHWBF-QZTJIDSGSA-N 2 1 307.526 3.103 20 0 DGADMP [NH3+]CCc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c2cc[nH+]cc12 ZINC001256907143 1106508289 /nfs/dbraw/zinc/50/82/89/1106508289.db2.gz GEUOZFHCGZBKRA-KRWDZBQOSA-N 3 1 312.461 3.117 20 0 DGADMP [NH3+]CCc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2ccncc12 ZINC001256907143 1106508292 /nfs/dbraw/zinc/50/82/92/1106508292.db2.gz GEUOZFHCGZBKRA-KRWDZBQOSA-N 2 1 312.461 3.117 20 0 DGADMP [NH3+]CCc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccncc12 ZINC001256907143 1106508296 /nfs/dbraw/zinc/50/82/96/1106508296.db2.gz GEUOZFHCGZBKRA-KRWDZBQOSA-N 2 1 312.461 3.117 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256908133 1106508963 /nfs/dbraw/zinc/50/89/63/1106508963.db2.gz LOQLYZKNDQZZSQ-SJORKVTESA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908133 1106508966 /nfs/dbraw/zinc/50/89/66/1106508966.db2.gz LOQLYZKNDQZZSQ-SJORKVTESA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908133 1106508969 /nfs/dbraw/zinc/50/89/69/1106508969.db2.gz LOQLYZKNDQZZSQ-SJORKVTESA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)OC(=O)C(C)(C)C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908937 1106509329 /nfs/dbraw/zinc/50/93/29/1106509329.db2.gz OZVDZXYWMZIMDZ-HNNXBMFYSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)(C)OC(=O)C(C)(C)C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908937 1106509331 /nfs/dbraw/zinc/50/93/31/1106509331.db2.gz OZVDZXYWMZIMDZ-HNNXBMFYSA-N 2 1 324.509 3.351 20 0 DGADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257049568 1106530743 /nfs/dbraw/zinc/53/07/43/1106530743.db2.gz XIVIBQJXBAZPSU-LUKYLMHMSA-N 2 1 324.509 3.336 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+]CCC[N@@H+](C)CCCC ZINC001257388300 1106579480 /nfs/dbraw/zinc/57/94/80/1106579480.db2.gz MLPCMXOVMMYEFP-MRXNPFEDSA-N 2 1 300.487 3.210 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257084823 1106535948 /nfs/dbraw/zinc/53/59/48/1106535948.db2.gz GBALTIBEPJMBEH-PNMMWPKQSA-N 2 1 317.477 3.110 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C[C@H](C)O1 ZINC001257092426 1106536832 /nfs/dbraw/zinc/53/68/32/1106536832.db2.gz NWKWTQNRDAQENR-ALXJQNPVSA-N 2 1 306.494 3.283 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C[C@H](C)O1 ZINC001257092426 1106536837 /nfs/dbraw/zinc/53/68/37/1106536837.db2.gz NWKWTQNRDAQENR-ALXJQNPVSA-N 2 1 306.494 3.283 20 0 DGADMP COc1cc(OC)cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC001257208744 1106551535 /nfs/dbraw/zinc/55/15/35/1106551535.db2.gz RNCQBXPESLROJL-AWEZNQCLSA-N 2 1 306.450 3.227 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2cccc3ccccc32)CC1 ZINC001257213441 1106552872 /nfs/dbraw/zinc/55/28/72/1106552872.db2.gz NMTQNLDFYFBAGP-HXUWFJFHSA-N 2 1 312.457 3.336 20 0 DGADMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001257216739 1106553533 /nfs/dbraw/zinc/55/35/33/1106553533.db2.gz HXPQVWRXAMKIAS-GOSISDBHSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)OCC[NH+](CCOC(C)C)C1CC[NH+](C(C)C)CC1 ZINC001257220429 1106553613 /nfs/dbraw/zinc/55/36/13/1106553613.db2.gz PAGNQQXJJPJENE-UHFFFAOYSA-N 2 1 314.514 3.011 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001257220701 1106554464 /nfs/dbraw/zinc/55/44/64/1106554464.db2.gz SQIHJBFDMVKDDD-LJQANCHMSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001257220701 1106554468 /nfs/dbraw/zinc/55/44/68/1106554468.db2.gz SQIHJBFDMVKDDD-LJQANCHMSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)[NH+]1CCC([NH+]2CCC3(Cc4ccccc4O3)CC2)CC1 ZINC001257222181 1106554707 /nfs/dbraw/zinc/55/47/07/1106554707.db2.gz VTSJPJOITNHXMO-UHFFFAOYSA-N 2 1 314.473 3.329 20 0 DGADMP CCC[C@@H](CC)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001257246338 1106555928 /nfs/dbraw/zinc/55/59/28/1106555928.db2.gz HIVWFLDPBOZVAM-LJQANCHMSA-N 2 1 303.494 3.102 20 0 DGADMP CCC[C@H](CC)[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001257262873 1106558452 /nfs/dbraw/zinc/55/84/52/1106558452.db2.gz NRHCFNQTTRBPIK-GBESFXJTSA-N 2 1 308.510 3.388 20 0 DGADMP CCC[C@H](CC)[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001257262873 1106558454 /nfs/dbraw/zinc/55/84/54/1106558454.db2.gz NRHCFNQTTRBPIK-GBESFXJTSA-N 2 1 308.510 3.388 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[NH2+]C(C)(C)C[NH3+])ccc2c1 ZINC001257268452 1106560100 /nfs/dbraw/zinc/56/01/00/1106560100.db2.gz GEYNAIMASULUBB-AWEZNQCLSA-N 2 1 300.446 3.496 20 0 DGADMP CCC[C@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001257326930 1106568906 /nfs/dbraw/zinc/56/89/06/1106568906.db2.gz FFOLLWFQJQQJOO-HNNXBMFYSA-N 2 1 318.461 3.216 20 0 DGADMP CCCCCC[C@@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001257373672 1106575807 /nfs/dbraw/zinc/57/58/07/1106575807.db2.gz UPSBRFNOQGBZRB-GOSISDBHSA-N 2 1 309.542 3.305 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001257380861 1106577367 /nfs/dbraw/zinc/57/73/67/1106577367.db2.gz DVKOSUAJIUOGGD-NXOAAHMSSA-N 2 1 310.482 3.103 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001257380861 1106577371 /nfs/dbraw/zinc/57/73/71/1106577371.db2.gz DVKOSUAJIUOGGD-NXOAAHMSSA-N 2 1 310.482 3.103 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001257385175 1106578320 /nfs/dbraw/zinc/57/83/20/1106578320.db2.gz DVKOSUAJIUOGGD-VQHPVUNQSA-N 2 1 310.482 3.103 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001257385175 1106578323 /nfs/dbraw/zinc/57/83/23/1106578323.db2.gz DVKOSUAJIUOGGD-VQHPVUNQSA-N 2 1 310.482 3.103 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC001257387365 1106578886 /nfs/dbraw/zinc/57/88/86/1106578886.db2.gz GPAMIWAKGRMHPH-MRXNPFEDSA-N 2 1 300.487 3.207 20 0 DGADMP CC[C@@H](C)[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257435488 1106588215 /nfs/dbraw/zinc/58/82/15/1106588215.db2.gz FAGKMUXHFBLPFU-ZTFGCOKTSA-N 2 1 318.461 3.344 20 0 DGADMP CCCCC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514573 1106600927 /nfs/dbraw/zinc/60/09/27/1106600927.db2.gz JZFKRKWBZIBCGJ-BHIYHBOVSA-N 2 1 318.509 3.143 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001257561768 1106605763 /nfs/dbraw/zinc/60/57/63/1106605763.db2.gz TVVZRGSVPZLECN-LBPRGKRZSA-N 2 1 322.250 3.341 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCCSC2)CC1 ZINC001257666706 1106617137 /nfs/dbraw/zinc/61/71/37/1106617137.db2.gz PVHBCJHBHNNSGM-ULQDDVLXSA-N 2 1 305.491 3.049 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCSC1 ZINC001257676926 1106619850 /nfs/dbraw/zinc/61/98/50/1106619850.db2.gz NICUIRFANOKZGB-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCSC1 ZINC001257676926 1106619852 /nfs/dbraw/zinc/61/98/52/1106619852.db2.gz NICUIRFANOKZGB-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCSC1 ZINC001257676926 1106619854 /nfs/dbraw/zinc/61/98/54/1106619854.db2.gz NICUIRFANOKZGB-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829142 1106632183 /nfs/dbraw/zinc/63/21/83/1106632183.db2.gz IRRHDQOCRRNUQT-CMTQZCSUSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829142 1106632186 /nfs/dbraw/zinc/63/21/86/1106632186.db2.gz IRRHDQOCRRNUQT-CMTQZCSUSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953212 1106649984 /nfs/dbraw/zinc/64/99/84/1106649984.db2.gz NMBOFTWMZOLELB-WCXIOVBPSA-N 2 1 320.864 3.248 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953212 1106649986 /nfs/dbraw/zinc/64/99/86/1106649986.db2.gz NMBOFTWMZOLELB-WCXIOVBPSA-N 2 1 320.864 3.248 20 0 DGADMP COc1cc(C[N@H+](C)C2CC[NH+](CC(C)C)CC2)cc(OC)c1 ZINC001258014582 1106658226 /nfs/dbraw/zinc/65/82/26/1106658226.db2.gz NZQXOSQNIMRGTO-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cc(C[N@@H+](C)C2CC[NH+](CC(C)C)CC2)cc(OC)c1 ZINC001258014582 1106658228 /nfs/dbraw/zinc/65/82/28/1106658228.db2.gz NZQXOSQNIMRGTO-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CC(C)C[C@@H](C)C[C@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258074631 1106668310 /nfs/dbraw/zinc/66/83/10/1106668310.db2.gz LISVWECCDKVMHJ-MOPGFXCFSA-N 2 1 323.569 3.407 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258113303 1106675346 /nfs/dbraw/zinc/67/53/46/1106675346.db2.gz RDOABEMTMYJZBL-ZOBUZTSGSA-N 2 1 310.482 3.233 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258142273 1106679740 /nfs/dbraw/zinc/67/97/40/1106679740.db2.gz WLFHDQBYFAQNRB-YTQUADARSA-N 2 1 302.437 3.126 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258142273 1106679744 /nfs/dbraw/zinc/67/97/44/1106679744.db2.gz WLFHDQBYFAQNRB-YTQUADARSA-N 2 1 302.437 3.126 20 0 DGADMP COC[C@H]1CCCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141300 1106680111 /nfs/dbraw/zinc/68/01/11/1106680111.db2.gz XYPLAGUCBGYWJG-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP COC[C@H]1CCCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141300 1106680112 /nfs/dbraw/zinc/68/01/12/1106680112.db2.gz XYPLAGUCBGYWJG-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP COC(=O)CC[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258362732 1106722821 /nfs/dbraw/zinc/72/28/21/1106722821.db2.gz ZWNFNOJJRHNTFL-XIRDDKMYSA-N 2 1 310.482 3.090 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)C1CCN(c2cccc(F)c2)CC1 ZINC001258427584 1106741886 /nfs/dbraw/zinc/74/18/86/1106741886.db2.gz NGHJVWVBQIRGEK-UHFFFAOYSA-N 2 1 307.457 3.068 20 0 DGADMP CCCCC[C@@H](CC)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001258439052 1106744576 /nfs/dbraw/zinc/74/45/76/1106744576.db2.gz GNNGXYAUTPJEFU-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[C@@H](CC)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001258439052 1106744586 /nfs/dbraw/zinc/74/45/86/1106744586.db2.gz GNNGXYAUTPJEFU-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001258500739 1106781934 /nfs/dbraw/zinc/78/19/34/1106781934.db2.gz NXBLTKQGPYPXAW-INIZCTEOSA-N 2 1 324.509 3.447 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC(C)(C)C1 ZINC001258697827 1106911826 /nfs/dbraw/zinc/91/18/26/1106911826.db2.gz MQSMLLLIAIKUPK-GJZGRUSLSA-N 2 1 307.482 3.331 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)CC1 ZINC001258769674 1106963504 /nfs/dbraw/zinc/96/35/04/1106963504.db2.gz ATMFLMSAPQIBFS-FQEVSTJZSA-N 2 1 315.505 3.033 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3cccc(C)c3)C2)CC1 ZINC001258769674 1106963516 /nfs/dbraw/zinc/96/35/16/1106963516.db2.gz ATMFLMSAPQIBFS-FQEVSTJZSA-N 2 1 315.505 3.033 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001258774582 1106966212 /nfs/dbraw/zinc/96/62/12/1106966212.db2.gz SMYAMVPBGVXATA-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001258774582 1106966232 /nfs/dbraw/zinc/96/62/32/1106966232.db2.gz SMYAMVPBGVXATA-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC001258771715 1106967492 /nfs/dbraw/zinc/96/74/92/1106967492.db2.gz QKYPHZKEWHUQSP-MRXNPFEDSA-N 2 1 302.462 3.359 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccccc3C)C2)CC1 ZINC001258773748 1106968080 /nfs/dbraw/zinc/96/80/80/1106968080.db2.gz AQBLBSZXRVVERQ-SFHVURJKSA-N 2 1 302.462 3.323 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3C)C2)CC1 ZINC001258773748 1106968089 /nfs/dbraw/zinc/96/80/89/1106968089.db2.gz AQBLBSZXRVVERQ-SFHVURJKSA-N 2 1 302.462 3.323 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001258774318 1106968545 /nfs/dbraw/zinc/96/85/45/1106968545.db2.gz MTVYVLBCBRBUNC-QGZVFWFLSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001258774318 1106968557 /nfs/dbraw/zinc/96/85/57/1106968557.db2.gz MTVYVLBCBRBUNC-QGZVFWFLSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001258775048 1106968917 /nfs/dbraw/zinc/96/89/17/1106968917.db2.gz YAZSZOGLKNUTMG-HOJAQTOUSA-N 2 1 320.521 3.388 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001258776082 1106971045 /nfs/dbraw/zinc/97/10/45/1106971045.db2.gz SICXZRHSNRDZAG-KRWDZBQOSA-N 2 1 302.462 3.359 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813671 1106995809 /nfs/dbraw/zinc/99/58/09/1106995809.db2.gz LJEQTWDYVVDBJO-AFYVEPGGSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813671 1106995816 /nfs/dbraw/zinc/99/58/16/1106995816.db2.gz LJEQTWDYVVDBJO-AFYVEPGGSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CCC[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001258819038 1106998217 /nfs/dbraw/zinc/99/82/17/1106998217.db2.gz BWXRWLHMYAOVBH-LSDHHAIUSA-N 2 1 304.482 3.120 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258842331 1107020284 /nfs/dbraw/zinc/02/02/84/1107020284.db2.gz HIQLMGKKASRQBI-IBGZPJMESA-N 2 1 309.457 3.353 20 0 DGADMP CCCCC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C(=O)OC ZINC001258907739 1107054008 /nfs/dbraw/zinc/05/40/08/1107054008.db2.gz TVYMRTKAFJMUEV-CVEARBPZSA-N 2 1 300.487 3.208 20 0 DGADMP CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258900663 1107048885 /nfs/dbraw/zinc/04/88/85/1107048885.db2.gz BVPIXGUIMYNUMN-DOTOQJQBSA-N 2 1 312.498 3.208 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001258907134 1107054925 /nfs/dbraw/zinc/05/49/25/1107054925.db2.gz GIXNERUGXUZMNS-HUUCEWRRSA-N 2 1 324.431 3.276 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001258907132 1107055860 /nfs/dbraw/zinc/05/58/60/1107055860.db2.gz GIXNERUGXUZMNS-GJZGRUSLSA-N 2 1 324.431 3.276 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948396 1107199413 /nfs/dbraw/zinc/19/94/13/1107199413.db2.gz DIRZRMCYXCRQSE-ZBFHGGJFSA-N 2 1 306.498 3.329 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC001320948396 1107199418 /nfs/dbraw/zinc/19/94/18/1107199418.db2.gz DIRZRMCYXCRQSE-ZBFHGGJFSA-N 2 1 306.498 3.329 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCOc2ccccc2)s1 ZINC001261170047 1107354239 /nfs/dbraw/zinc/35/42/39/1107354239.db2.gz ATBVCSPFQPXYTK-UHFFFAOYSA-N 2 1 319.474 3.154 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483229 1107443645 /nfs/dbraw/zinc/44/36/45/1107443645.db2.gz MPINBYSBLURXOC-MRXNPFEDSA-N 2 1 300.446 3.018 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932098 1107467409 /nfs/dbraw/zinc/46/74/09/1107467409.db2.gz BQCZWAAEJVDEHF-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932098 1107467412 /nfs/dbraw/zinc/46/74/12/1107467412.db2.gz BQCZWAAEJVDEHF-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001322403842 1107663982 /nfs/dbraw/zinc/66/39/82/1107663982.db2.gz IMVHHNDMSSMPPU-UHFFFAOYSA-N 2 1 312.461 3.050 20 0 DGADMP COc1ccc(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC001262363667 1107694068 /nfs/dbraw/zinc/69/40/68/1107694068.db2.gz ZUOUCLDEARAEMH-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC001262671415 1107774071 /nfs/dbraw/zinc/77/40/71/1107774071.db2.gz CXGDJCVYXWOMGX-SXLOBPIMSA-N 2 1 307.441 3.216 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCC ZINC001318146036 1107860990 /nfs/dbraw/zinc/86/09/90/1107860990.db2.gz ONSHVWUPLPBHDJ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCC ZINC001318146036 1107861008 /nfs/dbraw/zinc/86/10/08/1107861008.db2.gz ONSHVWUPLPBHDJ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001318146036 1107861027 /nfs/dbraw/zinc/86/10/27/1107861027.db2.gz ONSHVWUPLPBHDJ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH2+]CCCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001263094925 1107943982 /nfs/dbraw/zinc/94/39/82/1107943982.db2.gz WYIGYESBDGTMBO-MRXNPFEDSA-N 2 1 317.477 3.389 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2N2CCCC2)CC1 ZINC000378889373 1108000715 /nfs/dbraw/zinc/00/07/15/1108000715.db2.gz QDHRELLQBLEXJQ-UHFFFAOYSA-N 2 1 301.478 3.251 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566809 1108015951 /nfs/dbraw/zinc/01/59/51/1108015951.db2.gz HNGCYZUCMVDDOU-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566809 1108015964 /nfs/dbraw/zinc/01/59/64/1108015964.db2.gz HNGCYZUCMVDDOU-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001323566809 1108015980 /nfs/dbraw/zinc/01/59/80/1108015980.db2.gz HNGCYZUCMVDDOU-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001323566809 1108015996 /nfs/dbraw/zinc/01/59/96/1108015996.db2.gz HNGCYZUCMVDDOU-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCc3ccc(F)cc3F)C2)CC1 ZINC001323809794 1108091157 /nfs/dbraw/zinc/09/11/57/1108091157.db2.gz YNBPDVJQWXJFFH-INIZCTEOSA-N 2 1 308.416 3.171 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC001319199204 1108361975 /nfs/dbraw/zinc/36/19/75/1108361975.db2.gz SDKYNJLSZQKZQB-IAGOWNOFSA-N 2 1 320.477 3.094 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319207396 1108366741 /nfs/dbraw/zinc/36/67/41/1108366741.db2.gz LGKJZZMAODDNAD-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP CC[NH2+]C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC000386855807 1108449813 /nfs/dbraw/zinc/44/98/13/1108449813.db2.gz TZPAWZPBMDSFIO-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001264162058 1108408512 /nfs/dbraw/zinc/40/85/12/1108408512.db2.gz GVXYCNUMGITANZ-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319391559 1108443187 /nfs/dbraw/zinc/44/31/87/1108443187.db2.gz CKAUOMHUTOYZGB-XOKHGSTOSA-N 2 1 321.440 3.005 20 0 DGADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]n1 ZINC001319717068 1108607875 /nfs/dbraw/zinc/60/78/75/1108607875.db2.gz SWLMGKSFUOSUEK-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756780 1108624393 /nfs/dbraw/zinc/62/43/93/1108624393.db2.gz ZOPJLUYRAGYCQG-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756780 1108624398 /nfs/dbraw/zinc/62/43/98/1108624398.db2.gz ZOPJLUYRAGYCQG-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP CC(C)CC[NH+](CCC(C)C)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000391099411 1108685901 /nfs/dbraw/zinc/68/59/01/1108685901.db2.gz YHBDCKZELZGBLV-VQTJNVASSA-N 2 1 320.521 3.312 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001265648153 1108947496 /nfs/dbraw/zinc/94/74/96/1108947496.db2.gz YPBLSDVZBWVYHR-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001265648153 1108947499 /nfs/dbraw/zinc/94/74/99/1108947499.db2.gz YPBLSDVZBWVYHR-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001265648153 1108947503 /nfs/dbraw/zinc/94/75/03/1108947503.db2.gz YPBLSDVZBWVYHR-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394058806 1109089962 /nfs/dbraw/zinc/08/99/62/1109089962.db2.gz DUKKVXLZWOSPJT-XNRPHZJLSA-N 2 1 323.278 3.064 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001266240524 1109137413 /nfs/dbraw/zinc/13/74/13/1109137413.db2.gz WVBJBHVVAFMJPZ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266240524 1109137416 /nfs/dbraw/zinc/13/74/16/1109137416.db2.gz WVBJBHVVAFMJPZ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266240524 1109137417 /nfs/dbraw/zinc/13/74/17/1109137417.db2.gz WVBJBHVVAFMJPZ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C\c2ccccc2)C[C@H](C)O1 ZINC000822443921 1110100156 /nfs/dbraw/zinc/10/01/56/1110100156.db2.gz OLWDTVXUUPMWFP-CSAPWXOBSA-N 2 1 302.462 3.179 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC001306932335 1111251921 /nfs/dbraw/zinc/25/19/21/1111251921.db2.gz SFMPIQVURAFFJS-VXGBXAGGSA-N 2 1 301.356 3.197 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCCC[C@H]1C ZINC001306932335 1111251923 /nfs/dbraw/zinc/25/19/23/1111251923.db2.gz SFMPIQVURAFFJS-VXGBXAGGSA-N 2 1 301.356 3.197 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001306967881 1111256251 /nfs/dbraw/zinc/25/62/51/1111256251.db2.gz LNCYHPGSRUTAOI-ZDUSSCGKSA-N 2 1 323.362 3.455 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001307483032 1111304374 /nfs/dbraw/zinc/30/43/74/1111304374.db2.gz LOVNSOJIHKCXLV-GOSISDBHSA-N 2 1 316.565 3.150 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001307483032 1111304375 /nfs/dbraw/zinc/30/43/75/1111304375.db2.gz LOVNSOJIHKCXLV-GOSISDBHSA-N 2 1 316.565 3.150 20 0 DGADMP c1c[nH+]c(N2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)[nH]1 ZINC001307735474 1111333160 /nfs/dbraw/zinc/33/31/60/1111333160.db2.gz XSMRIWNLWUMODS-SJLPKXTDSA-N 2 1 310.445 3.116 20 0 DGADMP CC(C)(C)SCCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001308072524 1111374001 /nfs/dbraw/zinc/37/40/01/1111374001.db2.gz BRFYZGSHMFTSFS-UHFFFAOYSA-N 2 1 314.539 3.141 20 0 DGADMP Cn1c[nH+]c2c1ccc1c2CCCN1CCC[NH+]1CCCCC1 ZINC001308154978 1111386066 /nfs/dbraw/zinc/38/60/66/1111386066.db2.gz GKSPIBCQCNULEK-UHFFFAOYSA-N 2 1 312.461 3.202 20 0 DGADMP CC(C)(C)n1cncc1[C@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC001308165660 1111388357 /nfs/dbraw/zinc/38/83/57/1111388357.db2.gz PZNYDVVSSRASIQ-KRWDZBQOSA-N 2 1 312.461 3.455 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cccnc1 ZINC001308193575 1111394810 /nfs/dbraw/zinc/39/48/10/1111394810.db2.gz ILDXFMFHDWBLEE-UHFFFAOYSA-N 2 1 311.473 3.372 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2ccccc2n1 ZINC001308202835 1111397232 /nfs/dbraw/zinc/39/72/32/1111397232.db2.gz LXPTVEPYGRWIKG-INIZCTEOSA-N 2 1 300.450 3.079 20 0 DGADMP Cc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC001308261175 1111407192 /nfs/dbraw/zinc/40/71/92/1111407192.db2.gz ORSVEVYXLAQNEJ-LJQANCHMSA-N 2 1 302.462 3.036 20 0 DGADMP C[N@H+](CCc1cccc(NCc2c[nH+]c3n2CCC3)c1)C1CC1 ZINC001308354348 1111420259 /nfs/dbraw/zinc/42/02/59/1111420259.db2.gz YHTHSSXNARIMBJ-UHFFFAOYSA-N 2 1 310.445 3.078 20 0 DGADMP C[N@@H+](CCc1cccc(NCc2c[nH+]c3n2CCC3)c1)C1CC1 ZINC001308354348 1111420262 /nfs/dbraw/zinc/42/02/62/1111420262.db2.gz YHTHSSXNARIMBJ-UHFFFAOYSA-N 2 1 310.445 3.078 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001308368033 1111422401 /nfs/dbraw/zinc/42/24/01/1111422401.db2.gz ZMXLAQCOXVVZBN-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC001308389654 1111424383 /nfs/dbraw/zinc/42/43/83/1111424383.db2.gz FIBPNQAXOUEECX-LJQANCHMSA-N 2 1 309.457 3.310 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1OC ZINC001308479678 1111433378 /nfs/dbraw/zinc/43/33/78/1111433378.db2.gz SVASQLWIUDAXNG-GJZGRUSLSA-N 2 1 308.466 3.302 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC001308661806 1111457598 /nfs/dbraw/zinc/45/75/98/1111457598.db2.gz CXOPDUBBHVSLJQ-QGZVFWFLSA-N 2 1 322.518 3.461 20 0 DGADMP CC1=CCCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001308724600 1111466191 /nfs/dbraw/zinc/46/61/91/1111466191.db2.gz XUDHIIWAGSANOO-UHFFFAOYSA-N 2 1 324.371 3.222 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](OC)C2CC2)CC1)CC(C)C ZINC001308745500 1111469062 /nfs/dbraw/zinc/46/90/62/1111469062.db2.gz YMNWAVYNNYLYQU-LJQANCHMSA-N 2 1 310.526 3.491 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904895 1111491387 /nfs/dbraw/zinc/49/13/87/1111491387.db2.gz XOPGIAAAQDUABK-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904895 1111491390 /nfs/dbraw/zinc/49/13/90/1111491390.db2.gz XOPGIAAAQDUABK-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001308904895 1111491393 /nfs/dbraw/zinc/49/13/93/1111491393.db2.gz XOPGIAAAQDUABK-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1 ZINC001308904895 1111491395 /nfs/dbraw/zinc/49/13/95/1111491395.db2.gz XOPGIAAAQDUABK-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP Clc1cc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c(Cl)s1 ZINC001308966711 1111501531 /nfs/dbraw/zinc/50/15/31/1111501531.db2.gz YQEXGGJMPHZWEV-NSHDSACASA-N 2 1 305.274 3.486 20 0 DGADMP CC1(C)CC[N@@H+](Cc2cccc3c2CCOC3)CC(C)(C)[NH2+]1 ZINC001308983625 1111504755 /nfs/dbraw/zinc/50/47/55/1111504755.db2.gz GJAUOMTXZWBTJC-UHFFFAOYSA-N 2 1 302.462 3.112 20 0 DGADMP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)n1 ZINC001310834912 1111573063 /nfs/dbraw/zinc/57/30/63/1111573063.db2.gz QSZZTNMMUISFLG-AWEZNQCLSA-N 2 1 304.438 3.001 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000278529290 214215579 /nfs/dbraw/zinc/21/55/79/214215579.db2.gz RJIWAYNKEZTBSL-LSDHHAIUSA-N 2 1 310.532 3.303 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000278529290 214215582 /nfs/dbraw/zinc/21/55/82/214215582.db2.gz RJIWAYNKEZTBSL-LSDHHAIUSA-N 2 1 310.532 3.303 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000181281230 199274910 /nfs/dbraw/zinc/27/49/10/199274910.db2.gz FZDMVIGQIMZILN-TZMCWYRMSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626377 214285041 /nfs/dbraw/zinc/28/50/41/214285041.db2.gz RSMHXPKSDRECBF-KBPBESRZSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626377 214285043 /nfs/dbraw/zinc/28/50/43/214285043.db2.gz RSMHXPKSDRECBF-KBPBESRZSA-N 2 1 312.404 3.116 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000305804557 231061420 /nfs/dbraw/zinc/06/14/20/231061420.db2.gz YQUXVRMRDSKQED-HKUYNNGSSA-N 2 1 320.452 3.030 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000309712927 231101847 /nfs/dbraw/zinc/10/18/47/231101847.db2.gz JWOUQRGJJBYZDS-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCSC3)C2)cc1 ZINC000309982250 231110244 /nfs/dbraw/zinc/11/02/44/231110244.db2.gz VQJQNAJWVKMKEE-ZWKOTPCHSA-N 2 1 304.503 3.384 20 0 DGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278739990 214368492 /nfs/dbraw/zinc/36/84/92/214368492.db2.gz WOMPJQBCTHOZIL-WMZOPIPTSA-N 2 1 305.466 3.013 20 0 DGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278739990 214368496 /nfs/dbraw/zinc/36/84/96/214368496.db2.gz WOMPJQBCTHOZIL-WMZOPIPTSA-N 2 1 305.466 3.013 20 0 DGADMP COC1(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000319393438 231184025 /nfs/dbraw/zinc/18/40/25/231184025.db2.gz LFIYYKIJVATCNT-UHFFFAOYSA-N 2 1 304.478 3.447 20 0 DGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000442789611 529417820 /nfs/dbraw/zinc/41/78/20/529417820.db2.gz YJOSTOLVZAJZFD-RKVPGOIHSA-N 2 1 317.477 3.373 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423455452 529453314 /nfs/dbraw/zinc/45/33/14/529453314.db2.gz CMDUTVFMDFZBNQ-IRXDYDNUSA-N 2 1 303.837 3.346 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000088164277 185240806 /nfs/dbraw/zinc/24/08/06/185240806.db2.gz VRECYMGVDPAYLY-GOOCMWNKSA-N 2 1 308.853 3.454 20 0 DGADMP CCc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000292959072 529578346 /nfs/dbraw/zinc/57/83/46/529578346.db2.gz FOKAPCVVFCVUQJ-YOFSQIOKSA-N 2 1 316.489 3.323 20 0 DGADMP CCc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000292959072 529578347 /nfs/dbraw/zinc/57/83/47/529578347.db2.gz FOKAPCVVFCVUQJ-YOFSQIOKSA-N 2 1 316.489 3.323 20 0 DGADMP CCc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000292959072 529578350 /nfs/dbraw/zinc/57/83/50/529578350.db2.gz FOKAPCVVFCVUQJ-YOFSQIOKSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCO2 ZINC000295870285 529586047 /nfs/dbraw/zinc/58/60/47/529586047.db2.gz GDDFLXARYQOGJS-FBVQUNGASA-N 2 1 300.446 3.287 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC ZINC000432420497 529597671 /nfs/dbraw/zinc/59/76/71/529597671.db2.gz BURKGJDJWITKKB-AEFFLSMTSA-N 2 1 320.477 3.237 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC ZINC000432420497 529597673 /nfs/dbraw/zinc/59/76/73/529597673.db2.gz BURKGJDJWITKKB-AEFFLSMTSA-N 2 1 320.477 3.237 20 0 DGADMP COCC[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000088549862 185257565 /nfs/dbraw/zinc/25/75/65/185257565.db2.gz LGSPOUTWJVAPNQ-MRXNPFEDSA-N 2 1 319.493 3.302 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000271812203 282209598 /nfs/dbraw/zinc/20/95/98/282209598.db2.gz YTXHFXBLSWEPMK-HNNXBMFYSA-N 2 1 320.234 3.231 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000121497219 282210274 /nfs/dbraw/zinc/21/02/74/282210274.db2.gz VLVHYUAFAFFCEN-KBPBESRZSA-N 2 1 318.440 3.384 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272837568 210235664 /nfs/dbraw/zinc/23/56/64/210235664.db2.gz QSKIJRFQRGGLRT-YQVWRLOYSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000317428710 529671905 /nfs/dbraw/zinc/67/19/05/529671905.db2.gz PFPFEIUZBFQXJG-KSZLIROESA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000090116863 185283136 /nfs/dbraw/zinc/28/31/36/185283136.db2.gz IAHJWZHNNCSSAQ-CTASWTNQSA-N 2 1 310.869 3.426 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C)CC1 ZINC000090400620 185294409 /nfs/dbraw/zinc/29/44/09/185294409.db2.gz RNKSSXJXUGIADW-GFCCVEGCSA-N 2 1 311.267 3.064 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000090577604 185304716 /nfs/dbraw/zinc/30/47/16/185304716.db2.gz WFWNLBGFYGWMOW-QFBILLFUSA-N 2 1 304.478 3.338 20 0 DGADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)s1 ZINC000092664901 185332282 /nfs/dbraw/zinc/33/22/82/185332282.db2.gz QLAJUEQWNGLFBV-HOTGVXAUSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000092664897 185332576 /nfs/dbraw/zinc/33/25/76/185332576.db2.gz QLAJUEQWNGLFBV-IYBDPMFKSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000092664897 185332577 /nfs/dbraw/zinc/33/25/77/185332577.db2.gz QLAJUEQWNGLFBV-IYBDPMFKSA-N 2 1 321.534 3.047 20 0 DGADMP CCc1nc(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000323856623 529730397 /nfs/dbraw/zinc/73/03/97/529730397.db2.gz ZQSNVLUDEPWAQU-INIZCTEOSA-N 2 1 314.433 3.071 20 0 DGADMP CCc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309796810 529730531 /nfs/dbraw/zinc/73/05/31/529730531.db2.gz IZKLWPCSPCMZDS-KRWDZBQOSA-N 2 1 310.445 3.281 20 0 DGADMP CCc1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309796810 529730532 /nfs/dbraw/zinc/73/05/32/529730532.db2.gz IZKLWPCSPCMZDS-KRWDZBQOSA-N 2 1 310.445 3.281 20 0 DGADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435436190 529995715 /nfs/dbraw/zinc/99/57/15/529995715.db2.gz DVXCPMAJPZKRRN-CQSZACIVSA-N 2 1 316.367 3.202 20 0 DGADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000297340362 530009168 /nfs/dbraw/zinc/00/91/68/530009168.db2.gz YKYDLVKDMFOOSZ-IBGZPJMESA-N 2 1 323.440 3.009 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676454 210081223 /nfs/dbraw/zinc/08/12/23/210081223.db2.gz QYYPYRHHMWVDMA-UYAOXDASSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676454 210081226 /nfs/dbraw/zinc/08/12/26/210081226.db2.gz QYYPYRHHMWVDMA-UYAOXDASSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676454 210081230 /nfs/dbraw/zinc/08/12/30/210081230.db2.gz QYYPYRHHMWVDMA-UYAOXDASSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676454 210081232 /nfs/dbraw/zinc/08/12/32/210081232.db2.gz QYYPYRHHMWVDMA-UYAOXDASSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676454 210081236 /nfs/dbraw/zinc/08/12/36/210081236.db2.gz QYYPYRHHMWVDMA-UYAOXDASSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676454 210081238 /nfs/dbraw/zinc/08/12/38/210081238.db2.gz QYYPYRHHMWVDMA-UYAOXDASSA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676454 210081222 /nfs/dbraw/zinc/08/12/22/210081222.db2.gz QYYPYRHHMWVDMA-UYAOXDASSA-N 2 1 317.521 3.217 20 0 DGADMP CCOCCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272666577 210071870 /nfs/dbraw/zinc/07/18/70/210071870.db2.gz OBRXKWQIGDZAKF-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287067575 219295421 /nfs/dbraw/zinc/29/54/21/219295421.db2.gz NWRIQPJZQAYCEH-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287131952 219334539 /nfs/dbraw/zinc/33/45/39/219334539.db2.gz ADZVCMVPUGTPGF-FXAWDEMLSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000287131952 219334542 /nfs/dbraw/zinc/33/45/42/219334542.db2.gz ADZVCMVPUGTPGF-FXAWDEMLSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152464228 186075978 /nfs/dbraw/zinc/07/59/78/186075978.db2.gz OSXGIFFYWNPEJO-OLZOCXBDSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152464228 186075980 /nfs/dbraw/zinc/07/59/80/186075980.db2.gz OSXGIFFYWNPEJO-OLZOCXBDSA-N 2 1 308.853 3.484 20 0 DGADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000155868491 186119758 /nfs/dbraw/zinc/11/97/58/186119758.db2.gz XUFJZKYMKLMMRN-DAYGRLMNSA-N 2 1 314.477 3.053 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443206 209844877 /nfs/dbraw/zinc/84/48/77/209844877.db2.gz UITMCAUYKLKACN-MVJPYGJCSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443206 209844879 /nfs/dbraw/zinc/84/48/79/209844879.db2.gz UITMCAUYKLKACN-MVJPYGJCSA-N 2 1 324.472 3.266 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCOCC1 ZINC000188012666 186243220 /nfs/dbraw/zinc/24/32/20/186243220.db2.gz INNAFOFDYBRXIR-RBUKOAKNSA-N 2 1 316.489 3.197 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000172196775 198056478 /nfs/dbraw/zinc/05/64/78/198056478.db2.gz CYTLDFVTQDOQAK-CYBMUJFWSA-N 2 1 300.418 3.385 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000172196775 198056480 /nfs/dbraw/zinc/05/64/80/198056480.db2.gz CYTLDFVTQDOQAK-CYBMUJFWSA-N 2 1 300.418 3.385 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000172574339 198118420 /nfs/dbraw/zinc/11/84/20/198118420.db2.gz BHJCTNVBBDKWAZ-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000172574339 198118421 /nfs/dbraw/zinc/11/84/21/198118421.db2.gz BHJCTNVBBDKWAZ-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574339 198118422 /nfs/dbraw/zinc/11/84/22/198118422.db2.gz BHJCTNVBBDKWAZ-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000172574339 198118423 /nfs/dbraw/zinc/11/84/23/198118423.db2.gz BHJCTNVBBDKWAZ-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP CCCCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000072726290 191223267 /nfs/dbraw/zinc/22/32/67/191223267.db2.gz QCFHEZRKRIXESN-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000072803505 191231973 /nfs/dbraw/zinc/23/19/73/191231973.db2.gz MZDRMGCULWHTFC-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000072965749 191259598 /nfs/dbraw/zinc/25/95/98/191259598.db2.gz LHWZSKOBFRNRAO-QZTJIDSGSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000072965749 191259601 /nfs/dbraw/zinc/25/96/01/191259601.db2.gz LHWZSKOBFRNRAO-QZTJIDSGSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072965749 191259602 /nfs/dbraw/zinc/25/96/02/191259602.db2.gz LHWZSKOBFRNRAO-QZTJIDSGSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000072965749 191259606 /nfs/dbraw/zinc/25/96/06/191259606.db2.gz LHWZSKOBFRNRAO-QZTJIDSGSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000072965751 191259616 /nfs/dbraw/zinc/25/96/16/191259616.db2.gz LHWZSKOBFRNRAO-ZWKOTPCHSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccccn2)C1 ZINC000072965751 191259619 /nfs/dbraw/zinc/25/96/19/191259619.db2.gz LHWZSKOBFRNRAO-ZWKOTPCHSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072965751 191259621 /nfs/dbraw/zinc/25/96/21/191259621.db2.gz LHWZSKOBFRNRAO-ZWKOTPCHSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000072965751 191259623 /nfs/dbraw/zinc/25/96/23/191259623.db2.gz LHWZSKOBFRNRAO-ZWKOTPCHSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000173427886 198213704 /nfs/dbraw/zinc/21/37/04/198213704.db2.gz MBBYDIXPSGWSHV-KBPBESRZSA-N 2 1 324.415 3.116 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000277131255 213314853 /nfs/dbraw/zinc/31/48/53/213314853.db2.gz YSSUVPADMGEAAA-IRXDYDNUSA-N 2 1 319.836 3.355 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000174514363 198344802 /nfs/dbraw/zinc/34/48/02/198344802.db2.gz CLEXNYNFMDEJEM-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000174514363 198344804 /nfs/dbraw/zinc/34/48/04/198344804.db2.gz CLEXNYNFMDEJEM-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000131337055 432034337 /nfs/dbraw/zinc/03/43/37/432034337.db2.gz WIRPKCXKMUUSOT-LJQANCHMSA-N 2 1 323.440 3.139 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000277005295 213233684 /nfs/dbraw/zinc/23/36/84/213233684.db2.gz XBZGVAUQRSFDJB-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000277005295 213233686 /nfs/dbraw/zinc/23/36/86/213233686.db2.gz XBZGVAUQRSFDJB-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164807698 432052122 /nfs/dbraw/zinc/05/21/22/432052122.db2.gz PMRRIRNFEQKKOM-QAPCUYQASA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164807698 432052126 /nfs/dbraw/zinc/05/21/26/432052126.db2.gz PMRRIRNFEQKKOM-QAPCUYQASA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164807698 432052127 /nfs/dbraw/zinc/05/21/27/432052127.db2.gz PMRRIRNFEQKKOM-QAPCUYQASA-N 2 1 302.462 3.438 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2C1 ZINC000166720269 432061937 /nfs/dbraw/zinc/06/19/37/432061937.db2.gz OOBILLKDRUJOCH-UHFFFAOYSA-N 2 1 309.413 3.123 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2C1 ZINC000166720269 432061940 /nfs/dbraw/zinc/06/19/40/432061940.db2.gz OOBILLKDRUJOCH-UHFFFAOYSA-N 2 1 309.413 3.123 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000276884580 213155702 /nfs/dbraw/zinc/15/57/02/213155702.db2.gz LIGODEBYNLKQQN-UHOSZYNNSA-N 2 1 318.505 3.425 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000276884580 213155706 /nfs/dbraw/zinc/15/57/06/213155706.db2.gz LIGODEBYNLKQQN-UHOSZYNNSA-N 2 1 318.505 3.425 20 0 DGADMP CC(C)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)O ZINC000276765541 213094660 /nfs/dbraw/zinc/09/46/60/213094660.db2.gz JLCHYMBMKUPCCN-IBGZPJMESA-N 2 1 318.505 3.079 20 0 DGADMP COCc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000179223521 199001605 /nfs/dbraw/zinc/00/16/05/199001605.db2.gz YDJFRCHNSBFOKT-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP COCc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000179223521 199001608 /nfs/dbraw/zinc/00/16/08/199001608.db2.gz YDJFRCHNSBFOKT-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276738497 213077907 /nfs/dbraw/zinc/07/79/07/213077907.db2.gz YURUUHFYFWVCNL-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179782191 199080291 /nfs/dbraw/zinc/08/02/91/199080291.db2.gz PUFOWHQUXONRAA-KBXCAEBGSA-N 2 1 315.461 3.170 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000134158665 432074219 /nfs/dbraw/zinc/07/42/19/432074219.db2.gz YYEFNEXMSICUMV-UHFFFAOYSA-N 2 1 320.525 3.464 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1N(C)C ZINC000179402328 299272909 /nfs/dbraw/zinc/27/29/09/299272909.db2.gz XECGSOAGKZYUJC-HNNXBMFYSA-N 2 1 301.478 3.278 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180149338 199123570 /nfs/dbraw/zinc/12/35/70/199123570.db2.gz HMTBJNNHLPJVNR-XBPNIJIESA-N 2 1 316.489 3.179 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180446161 199160810 /nfs/dbraw/zinc/16/08/10/199160810.db2.gz CZUUIHOPULQEOL-BZUAXINKSA-N 2 1 322.518 3.496 20 0 DGADMP CCn1nccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000180182545 432080180 /nfs/dbraw/zinc/08/01/80/432080180.db2.gz LRZXBPTVHBTSRU-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP FC(F)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414905153 236940998 /nfs/dbraw/zinc/94/09/98/236940998.db2.gz MZPUZPPNNVCVOJ-LLVKDONJSA-N 2 1 304.768 3.173 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415051975 237038834 /nfs/dbraw/zinc/03/88/34/237038834.db2.gz MRQKFDXTPYPKCF-FXAWDEMLSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1cccc(OCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415109557 237085222 /nfs/dbraw/zinc/08/52/22/237085222.db2.gz PSBWYOTYGPZRCV-AZUAARDMSA-N 2 1 310.441 3.457 20 0 DGADMP COCc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415085418 237066971 /nfs/dbraw/zinc/06/69/71/237066971.db2.gz QNXFVGJVLOFYEY-VQTJNVASSA-N 2 1 310.441 3.416 20 0 DGADMP COCc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415085419 237066997 /nfs/dbraw/zinc/06/69/97/237066997.db2.gz QNXFVGJVLOFYEY-WOJBJXKFSA-N 2 1 310.441 3.416 20 0 DGADMP COCc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415085415 237068076 /nfs/dbraw/zinc/06/80/76/237068076.db2.gz QNXFVGJVLOFYEY-PMACEKPBSA-N 2 1 310.441 3.416 20 0 DGADMP OCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415121125 237094055 /nfs/dbraw/zinc/09/40/55/237094055.db2.gz MJZLFDZULYWJFG-VAMGGRTRSA-N 2 1 310.441 3.193 20 0 DGADMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc2n1 ZINC000187469166 200115896 /nfs/dbraw/zinc/11/58/96/200115896.db2.gz PINHYZFHXHGBEI-QUCCMNQESA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2n1 ZINC000187469166 200115897 /nfs/dbraw/zinc/11/58/97/200115897.db2.gz PINHYZFHXHGBEI-QUCCMNQESA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2n1 ZINC000187469166 200115898 /nfs/dbraw/zinc/11/58/98/200115898.db2.gz PINHYZFHXHGBEI-QUCCMNQESA-N 2 1 309.457 3.459 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cc2ccccc2F)cn1 ZINC000187803938 200159304 /nfs/dbraw/zinc/15/93/04/200159304.db2.gz WCFCUEVMNKANDQ-AWEZNQCLSA-N 2 1 324.403 3.436 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCCO2 ZINC000180406564 432085112 /nfs/dbraw/zinc/08/51/12/432085112.db2.gz QZKINCRVJCDUGX-GOSISDBHSA-N 2 1 318.461 3.371 20 0 DGADMP CN(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134882787 432088379 /nfs/dbraw/zinc/08/83/79/432088379.db2.gz CUTHNPTZAAOYDR-YLJYHZDGSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134882787 432088381 /nfs/dbraw/zinc/08/83/81/432088381.db2.gz CUTHNPTZAAOYDR-YLJYHZDGSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134882787 432088382 /nfs/dbraw/zinc/08/83/82/432088382.db2.gz CUTHNPTZAAOYDR-YLJYHZDGSA-N 2 1 313.489 3.072 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134891491 432088583 /nfs/dbraw/zinc/08/85/83/432088583.db2.gz BAHIIMDFDRFBFF-APWZRJJASA-N 2 1 300.446 3.144 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134891491 432088584 /nfs/dbraw/zinc/08/85/84/432088584.db2.gz BAHIIMDFDRFBFF-APWZRJJASA-N 2 1 300.446 3.144 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134891491 432088587 /nfs/dbraw/zinc/08/85/87/432088587.db2.gz BAHIIMDFDRFBFF-APWZRJJASA-N 2 1 300.446 3.144 20 0 DGADMP COCCCOc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281213630 216158034 /nfs/dbraw/zinc/15/80/34/216158034.db2.gz JXDOEWFLBQVDBJ-UHFFFAOYSA-N 2 1 320.477 3.020 20 0 DGADMP COCCCOc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281213630 216158039 /nfs/dbraw/zinc/15/80/39/216158039.db2.gz JXDOEWFLBQVDBJ-UHFFFAOYSA-N 2 1 320.477 3.020 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033412 238007377 /nfs/dbraw/zinc/00/73/77/238007377.db2.gz MNZVUTQBUIXWNC-PKOBYXMFSA-N 2 1 310.441 3.293 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428849679 238032191 /nfs/dbraw/zinc/03/21/91/238032191.db2.gz JEWVSUPLSNWUFK-LLVKDONJSA-N 2 1 318.421 3.366 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593251 238080572 /nfs/dbraw/zinc/08/05/72/238080572.db2.gz SAVMTOMWWKEHMK-KRWDZBQOSA-N 2 1 323.440 3.105 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593251 238080573 /nfs/dbraw/zinc/08/05/73/238080573.db2.gz SAVMTOMWWKEHMK-KRWDZBQOSA-N 2 1 323.440 3.105 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430625311 238081786 /nfs/dbraw/zinc/08/17/86/238081786.db2.gz JWFGRUYYPIVVBP-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH3+])CC1 ZINC000430623366 238081800 /nfs/dbraw/zinc/08/18/00/238081800.db2.gz NBMPWMZURMFVFI-NSHDSACASA-N 2 1 308.376 3.163 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430917376 238089865 /nfs/dbraw/zinc/08/98/65/238089865.db2.gz JTXBOSQDTUJILS-KXBFYZLASA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000430955328 238091015 /nfs/dbraw/zinc/09/10/15/238091015.db2.gz LYEMOKGJAHYZPR-CRAIPNDOSA-N 2 1 304.478 3.422 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000432812551 238137002 /nfs/dbraw/zinc/13/70/02/238137002.db2.gz IQBVGTIGTZOTBS-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000432812551 238137004 /nfs/dbraw/zinc/13/70/04/238137004.db2.gz IQBVGTIGTZOTBS-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000434768684 238242816 /nfs/dbraw/zinc/24/28/16/238242816.db2.gz ZONZQFWOTAEZEM-VQIMIIECSA-N 2 1 316.489 3.433 20 0 DGADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000435387175 238299399 /nfs/dbraw/zinc/29/93/99/238299399.db2.gz XUBNULPELUFSBD-MRXNPFEDSA-N 2 1 312.413 3.268 20 0 DGADMP Cn1cnc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc21 ZINC000271897869 209307302 /nfs/dbraw/zinc/30/73/02/209307302.db2.gz YOXGHVPXUOSZBA-QGZVFWFLSA-N 2 1 312.461 3.024 20 0 DGADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc21 ZINC000271897869 209307303 /nfs/dbraw/zinc/30/73/03/209307303.db2.gz YOXGHVPXUOSZBA-QGZVFWFLSA-N 2 1 312.461 3.024 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000271885093 209295442 /nfs/dbraw/zinc/29/54/42/209295442.db2.gz NEAVTJZYCFKLMN-UHFFFAOYSA-N 2 1 301.821 3.240 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000193159786 201001187 /nfs/dbraw/zinc/00/11/87/201001187.db2.gz YCHAYTOQTWJTSU-BLLLJJGKSA-N 2 1 323.278 3.368 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000271879860 209290587 /nfs/dbraw/zinc/29/05/87/209290587.db2.gz PEHPZLZUFLJORR-BORJPKMPSA-N 2 1 306.425 3.118 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292872418 223284628 /nfs/dbraw/zinc/28/46/28/223284628.db2.gz XFWQZSHWFOIJIN-GOSISDBHSA-N 2 1 313.445 3.075 20 0 DGADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441463088 239054034 /nfs/dbraw/zinc/05/40/34/239054034.db2.gz KEGCGLOKZVFMQX-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441463088 239054040 /nfs/dbraw/zinc/05/40/40/239054040.db2.gz KEGCGLOKZVFMQX-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000442779098 239122778 /nfs/dbraw/zinc/12/27/78/239122778.db2.gz LKQHCLSGPSZRCI-JKSUJKDBSA-N 2 1 304.478 3.422 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000292933470 223314870 /nfs/dbraw/zinc/31/48/70/223314870.db2.gz HEXYLEMVJBMSAA-ATZDWAIDSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000292933470 223314873 /nfs/dbraw/zinc/31/48/73/223314873.db2.gz HEXYLEMVJBMSAA-ATZDWAIDSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000271819282 209243115 /nfs/dbraw/zinc/24/31/15/209243115.db2.gz MNOWOULVYXKEPZ-UHFFFAOYSA-N 2 1 302.390 3.087 20 0 DGADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc21 ZINC000271813006 209237806 /nfs/dbraw/zinc/23/78/06/209237806.db2.gz JOZKNLIDMWRRSH-QFBILLFUSA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000271813006 209237810 /nfs/dbraw/zinc/23/78/10/209237810.db2.gz JOZKNLIDMWRRSH-QFBILLFUSA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000271813006 209237815 /nfs/dbraw/zinc/23/78/15/209237815.db2.gz JOZKNLIDMWRRSH-QFBILLFUSA-N 2 1 324.472 3.022 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)O1 ZINC000449107742 240022309 /nfs/dbraw/zinc/02/23/09/240022309.db2.gz RELLEMHPWZUMRC-DLTWYDFYSA-N 2 1 308.491 3.116 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)O1 ZINC000449107742 240022315 /nfs/dbraw/zinc/02/23/15/240022315.db2.gz RELLEMHPWZUMRC-DLTWYDFYSA-N 2 1 308.491 3.116 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(C)c2)[C@@H](C)C1 ZINC000449138116 240034632 /nfs/dbraw/zinc/03/46/32/240034632.db2.gz HFHPKOOPQKNPQY-YOEHRIQHSA-N 2 1 310.507 3.283 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449081862 240007958 /nfs/dbraw/zinc/00/79/58/240007958.db2.gz IPFUFTTYEIDLQC-IAGOWNOFSA-N 2 1 318.509 3.456 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449162082 240047241 /nfs/dbraw/zinc/04/72/41/240047241.db2.gz IADUCVYEGYXFFS-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449162082 240047246 /nfs/dbraw/zinc/04/72/46/240047246.db2.gz IADUCVYEGYXFFS-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)[nH+]c1 ZINC000449163910 240047510 /nfs/dbraw/zinc/04/75/10/240047510.db2.gz OBZOHIWBPZNKQB-KRWDZBQOSA-N 2 1 315.461 3.050 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000449228312 240079960 /nfs/dbraw/zinc/07/99/60/240079960.db2.gz XYTBCPVKYANUGC-QWQRMKEZSA-N 2 1 316.493 3.477 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000449233542 240081950 /nfs/dbraw/zinc/08/19/50/240081950.db2.gz MALCBIDWAMYUMT-VQTJNVASSA-N 2 1 316.489 3.312 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC000449341304 240143181 /nfs/dbraw/zinc/14/31/81/240143181.db2.gz SXDMJATZRZJFAI-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC000449341304 240143187 /nfs/dbraw/zinc/14/31/87/240143187.db2.gz SXDMJATZRZJFAI-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc2ccccc21 ZINC000449341304 240143194 /nfs/dbraw/zinc/14/31/94/240143194.db2.gz SXDMJATZRZJFAI-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc2ccccc21 ZINC000449341304 240143200 /nfs/dbraw/zinc/14/32/00/240143200.db2.gz SXDMJATZRZJFAI-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000246196990 432105328 /nfs/dbraw/zinc/10/53/28/432105328.db2.gz XNLMGZQKGAUBNK-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560579 240291024 /nfs/dbraw/zinc/29/10/24/240291024.db2.gz MXTDBHCFLJEGDZ-QFMLELGNSA-N 2 1 319.537 3.244 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000449618860 240322100 /nfs/dbraw/zinc/32/21/00/240322100.db2.gz MDIXOGVOROKCSH-MYZZLAAOSA-N 2 1 302.462 3.261 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)[C@H](C)C1 ZINC000449623276 240326864 /nfs/dbraw/zinc/32/68/64/240326864.db2.gz LLHYQTCCYZEJGO-LVQVYYBASA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@@H](O)[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000449636070 240337015 /nfs/dbraw/zinc/33/70/15/240337015.db2.gz CPRSYKICPMQTDD-OLPBJYBYSA-N 2 1 316.489 3.321 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000271788131 209215336 /nfs/dbraw/zinc/21/53/36/209215336.db2.gz FZEBYJUTFLQPKD-UHFFFAOYSA-N 2 1 323.440 3.012 20 0 DGADMP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000453428106 241782559 /nfs/dbraw/zinc/78/25/59/241782559.db2.gz PMODGATWOAKUAN-SFHVURJKSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000246956284 299377403 /nfs/dbraw/zinc/37/74/03/299377403.db2.gz HQAJJISYTXWBFD-NUEKZKHPSA-N 2 1 307.457 3.415 20 0 DGADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253491 193180330 /nfs/dbraw/zinc/18/03/30/193180330.db2.gz RHYULCDWVMHJHN-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253491 193180331 /nfs/dbraw/zinc/18/03/31/193180331.db2.gz RHYULCDWVMHJHN-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253491 193180332 /nfs/dbraw/zinc/18/03/32/193180332.db2.gz RHYULCDWVMHJHN-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSCc3ccccc3)CC[C@@H]21 ZINC000190055591 432117551 /nfs/dbraw/zinc/11/75/51/432117551.db2.gz UGLFIAQKOOUTMY-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSCc3ccccc3)CC[C@@H]21 ZINC000190055591 432117554 /nfs/dbraw/zinc/11/75/54/432117554.db2.gz UGLFIAQKOOUTMY-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSCc3ccccc3)CC[C@@H]21 ZINC000190055591 432117558 /nfs/dbraw/zinc/11/75/58/432117558.db2.gz UGLFIAQKOOUTMY-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233744 299389192 /nfs/dbraw/zinc/38/91/92/299389192.db2.gz MVEMBDOWEVIURP-YESZJQIVSA-N 2 1 306.494 3.331 20 0 DGADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OCC1CCCC1 ZINC000459360103 243348172 /nfs/dbraw/zinc/34/81/72/243348172.db2.gz DRCCPOHLDMDUOU-HKUYNNGSSA-N 2 1 306.494 3.142 20 0 DGADMP CCOc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000459423413 243364387 /nfs/dbraw/zinc/36/43/87/243364387.db2.gz JPQJJGWBKUJFDL-YPMHNXCESA-N 2 1 312.841 3.017 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc(Cl)c1O ZINC000459423413 243364394 /nfs/dbraw/zinc/36/43/94/243364394.db2.gz JPQJJGWBKUJFDL-YPMHNXCESA-N 2 1 312.841 3.017 20 0 DGADMP Cc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016834 193195073 /nfs/dbraw/zinc/19/50/73/193195073.db2.gz WADHTBCYSSINCI-GOSISDBHSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016834 193195075 /nfs/dbraw/zinc/19/50/75/193195075.db2.gz WADHTBCYSSINCI-GOSISDBHSA-N 2 1 301.478 3.478 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000468963273 244077437 /nfs/dbraw/zinc/07/74/37/244077437.db2.gz MHNHILZUCWVTSP-QYZOEREBSA-N 2 1 309.542 3.063 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000469860684 244130888 /nfs/dbraw/zinc/13/08/88/244130888.db2.gz GPIMJYRVHFAVKA-FRRDWIJNSA-N 2 1 311.267 3.222 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000293258241 223469209 /nfs/dbraw/zinc/46/92/09/223469209.db2.gz BWNWVDKGRVMUSP-KRWDZBQOSA-N 2 1 303.837 3.456 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000470258238 244162654 /nfs/dbraw/zinc/16/26/54/244162654.db2.gz GEPUANCHMAGKRL-DZKIICNBSA-N 2 1 308.441 3.085 20 0 DGADMP COC1CC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000470260540 244163336 /nfs/dbraw/zinc/16/33/36/244163336.db2.gz DMCWFWVRVFFMPX-XMZVIZOASA-N 2 1 302.462 3.054 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839865 244256416 /nfs/dbraw/zinc/25/64/16/244256416.db2.gz PROIVWAVUKJICY-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839865 244256422 /nfs/dbraw/zinc/25/64/22/244256422.db2.gz PROIVWAVUKJICY-IEBWSBKVSA-N 2 1 313.445 3.155 20 0 DGADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858375 244258153 /nfs/dbraw/zinc/25/81/53/244258153.db2.gz HFBFGGSNCVGURP-PZJWPPBQSA-N 2 1 323.484 3.441 20 0 DGADMP Cc1cnc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873611 244260787 /nfs/dbraw/zinc/26/07/87/244260787.db2.gz UBOTXRRVXYCJCB-ROUUACIJSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cnc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873611 244260789 /nfs/dbraw/zinc/26/07/89/244260789.db2.gz UBOTXRRVXYCJCB-ROUUACIJSA-N 2 1 313.445 3.155 20 0 DGADMP C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105579 284134810 /nfs/dbraw/zinc/13/48/10/284134810.db2.gz JNYSSPWTLYPVOE-MSOLQXFVSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119105579 284134813 /nfs/dbraw/zinc/13/48/13/284134813.db2.gz JNYSSPWTLYPVOE-MSOLQXFVSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105579 284134815 /nfs/dbraw/zinc/13/48/15/284134815.db2.gz JNYSSPWTLYPVOE-MSOLQXFVSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471582 244306322 /nfs/dbraw/zinc/30/63/22/244306322.db2.gz TWKSYXCIVHIMAQ-NEWSRXKRSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472471582 244306325 /nfs/dbraw/zinc/30/63/25/244306325.db2.gz TWKSYXCIVHIMAQ-NEWSRXKRSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472471582 244306330 /nfs/dbraw/zinc/30/63/30/244306330.db2.gz TWKSYXCIVHIMAQ-NEWSRXKRSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472471582 244306336 /nfs/dbraw/zinc/30/63/36/244306336.db2.gz TWKSYXCIVHIMAQ-NEWSRXKRSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471582 244306341 /nfs/dbraw/zinc/30/63/41/244306341.db2.gz TWKSYXCIVHIMAQ-NEWSRXKRSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000119510987 284144491 /nfs/dbraw/zinc/14/44/91/284144491.db2.gz ATBPSFFXCBSWQU-KRWDZBQOSA-N 2 1 321.534 3.303 20 0 DGADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000093482855 193258383 /nfs/dbraw/zinc/25/83/83/193258383.db2.gz MYDMOKGIXQYUPE-HKUYNNGSSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093482855 193258384 /nfs/dbraw/zinc/25/83/84/193258384.db2.gz MYDMOKGIXQYUPE-HKUYNNGSSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093482855 193258386 /nfs/dbraw/zinc/25/83/86/193258386.db2.gz MYDMOKGIXQYUPE-HKUYNNGSSA-N 2 1 318.505 3.380 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596913 193271123 /nfs/dbraw/zinc/27/11/23/193271123.db2.gz NWLUBLWVTMJTEQ-QGZVFWFLSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596913 193271125 /nfs/dbraw/zinc/27/11/25/193271125.db2.gz NWLUBLWVTMJTEQ-QGZVFWFLSA-N 2 1 324.472 3.303 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659987 193285378 /nfs/dbraw/zinc/28/53/78/193285378.db2.gz LAAOTHMQPKQESN-HNNXBMFYSA-N 2 1 318.490 3.444 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659987 193285380 /nfs/dbraw/zinc/28/53/80/193285380.db2.gz LAAOTHMQPKQESN-HNNXBMFYSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659987 193285382 /nfs/dbraw/zinc/28/53/82/193285382.db2.gz LAAOTHMQPKQESN-HNNXBMFYSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1cccs1 ZINC000093659987 193285384 /nfs/dbraw/zinc/28/53/84/193285384.db2.gz LAAOTHMQPKQESN-HNNXBMFYSA-N 2 1 318.490 3.444 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC1CC[NH2+]CC1 ZINC000094011079 193338116 /nfs/dbraw/zinc/33/81/16/193338116.db2.gz SMMFAUOMOWKGTL-UHFFFAOYSA-N 2 1 302.340 3.017 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000093820469 193313581 /nfs/dbraw/zinc/31/35/81/193313581.db2.gz XZQCBANFEZTBKL-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000093820469 193313583 /nfs/dbraw/zinc/31/35/83/193313583.db2.gz XZQCBANFEZTBKL-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820469 193313585 /nfs/dbraw/zinc/31/35/85/193313585.db2.gz XZQCBANFEZTBKL-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820469 193313586 /nfs/dbraw/zinc/31/35/86/193313586.db2.gz XZQCBANFEZTBKL-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)CC(C)(C)C[NH3+] ZINC000093873136 193321549 /nfs/dbraw/zinc/32/15/49/193321549.db2.gz ULVHLSXYVBXEEC-UHFFFAOYSA-N 2 1 303.219 3.005 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000094070283 193343028 /nfs/dbraw/zinc/34/30/28/193343028.db2.gz QJVSWKXCLOYKTD-UHFFFAOYSA-N 2 1 317.260 3.323 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000120979757 284183960 /nfs/dbraw/zinc/18/39/60/284183960.db2.gz DYNNIUVKLXZTQI-HXUWFJFHSA-N 2 1 314.473 3.233 20 0 DGADMP Cc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121896839 284208213 /nfs/dbraw/zinc/20/82/13/284208213.db2.gz MFSKMNFKHRILRJ-CQSZACIVSA-N 2 1 306.454 3.027 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486975685 245007105 /nfs/dbraw/zinc/00/71/05/245007105.db2.gz YOSXTIRQGPGZSU-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486975685 245007108 /nfs/dbraw/zinc/00/71/08/245007108.db2.gz YOSXTIRQGPGZSU-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP CCOc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1F ZINC000486952496 245003970 /nfs/dbraw/zinc/00/39/70/245003970.db2.gz BXQTYSGMZYKSEQ-UHFFFAOYSA-N 2 1 308.441 3.436 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124320618 284257214 /nfs/dbraw/zinc/25/72/14/284257214.db2.gz NURMRWGLNYQVAR-GOSISDBHSA-N 2 1 317.521 3.228 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000282484145 217030681 /nfs/dbraw/zinc/03/06/81/217030681.db2.gz LXVFOBCBGYOPKM-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000282484145 217030684 /nfs/dbraw/zinc/03/06/84/217030684.db2.gz LXVFOBCBGYOPKM-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282589325 217108687 /nfs/dbraw/zinc/10/86/87/217108687.db2.gz WVSUODJNSZARPA-KRWDZBQOSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282589325 217108691 /nfs/dbraw/zinc/10/86/91/217108691.db2.gz WVSUODJNSZARPA-KRWDZBQOSA-N 2 1 304.478 3.038 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000282838276 217284398 /nfs/dbraw/zinc/28/43/98/217284398.db2.gz SQLLEZSIFNJEAI-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128350002 284372453 /nfs/dbraw/zinc/37/24/53/284372453.db2.gz ZMKJLYNGNWDHRG-HXUWFJFHSA-N 2 1 317.521 3.015 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128349822 284372589 /nfs/dbraw/zinc/37/25/89/284372589.db2.gz ZMKJLYNGNWDHRG-FQEVSTJZSA-N 2 1 317.521 3.015 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cncc(F)c2)c1 ZINC000494542954 246162089 /nfs/dbraw/zinc/16/20/89/246162089.db2.gz AGPSUBWSYITEBU-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246457474 432134971 /nfs/dbraw/zinc/13/49/71/432134971.db2.gz POYNAVIGOKCGQR-ZQIUZPCESA-N 2 1 310.869 3.427 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000268795212 432136173 /nfs/dbraw/zinc/13/61/73/432136173.db2.gz ZPIMKXLAHSFLHD-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000268795212 432136178 /nfs/dbraw/zinc/13/61/78/432136178.db2.gz ZPIMKXLAHSFLHD-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000268802009 432136746 /nfs/dbraw/zinc/13/67/46/432136746.db2.gz BFNOJXUKGUGXMJ-JSGCOSHPSA-N 2 1 300.368 3.320 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000268796929 432137561 /nfs/dbraw/zinc/13/75/61/432137561.db2.gz IAAVLSFPWPIBBY-LLVKDONJSA-N 2 1 313.323 3.441 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268803224 432139351 /nfs/dbraw/zinc/13/93/51/432139351.db2.gz ZIVBESJENQYFGV-SNRMKQJTSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268803224 432139354 /nfs/dbraw/zinc/13/93/54/432139354.db2.gz ZIVBESJENQYFGV-SNRMKQJTSA-N 2 1 302.462 3.233 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000268807476 432139431 /nfs/dbraw/zinc/13/94/31/432139431.db2.gz GEOGLTVUPQHVDI-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246549894 432142537 /nfs/dbraw/zinc/14/25/37/432142537.db2.gz WLRPCXLYALRIAD-IAGOWNOFSA-N 2 1 306.498 3.483 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246549894 432142540 /nfs/dbraw/zinc/14/25/40/432142540.db2.gz WLRPCXLYALRIAD-IAGOWNOFSA-N 2 1 306.498 3.483 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(C)c1 ZINC000246596707 432147227 /nfs/dbraw/zinc/14/72/27/432147227.db2.gz ZVKOQEROEKBZRY-DODZYUBVSA-N 2 1 304.478 3.471 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000284422835 218020299 /nfs/dbraw/zinc/02/02/99/218020299.db2.gz QXBCIESXFTUBAU-CYBMUJFWSA-N 2 1 311.857 3.270 20 0 DGADMP COc1ncc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000284422836 218020758 /nfs/dbraw/zinc/02/07/58/218020758.db2.gz QXBCIESXFTUBAU-ZDUSSCGKSA-N 2 1 311.857 3.270 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000105443546 194103869 /nfs/dbraw/zinc/10/38/69/194103869.db2.gz XPTZRSQDUXZIHG-GFCCVEGCSA-N 2 1 309.360 3.219 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443559 194105043 /nfs/dbraw/zinc/10/50/43/194105043.db2.gz PPLONGBZHMLKPK-AWEZNQCLSA-N 2 1 317.433 3.025 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000105480286 194105243 /nfs/dbraw/zinc/10/52/43/194105243.db2.gz YOJXANVNKLBTIE-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000105480286 194105246 /nfs/dbraw/zinc/10/52/46/194105246.db2.gz YOJXANVNKLBTIE-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H](O)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285146375 218308778 /nfs/dbraw/zinc/30/87/78/218308778.db2.gz MBIFJTVZPHADLG-IVMQYODDSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422879982 296311029 /nfs/dbraw/zinc/31/10/29/296311029.db2.gz LFQUTZNSGZMJLE-MKXGPGLRSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415116816 296314349 /nfs/dbraw/zinc/31/43/49/296314349.db2.gz IFLIBXQDGPSZPR-YLJYHZDGSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@]1(C)CC[NH2+]C1 ZINC000415116816 296314350 /nfs/dbraw/zinc/31/43/50/296314350.db2.gz IFLIBXQDGPSZPR-YLJYHZDGSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@]1(C)CC[NH2+]C1 ZINC000415116816 296314351 /nfs/dbraw/zinc/31/43/51/296314351.db2.gz IFLIBXQDGPSZPR-YLJYHZDGSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000415126704 296314195 /nfs/dbraw/zinc/31/41/95/296314195.db2.gz UXNMIMDOJXNBTN-PBPGXSGUSA-N 3 1 315.505 3.421 20 0 DGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000268879633 207048795 /nfs/dbraw/zinc/04/87/95/207048795.db2.gz RCVZZZWPCGUKQU-INIZCTEOSA-N 2 1 315.417 3.094 20 0 DGADMP CC(C)(C)C[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268898549 207067825 /nfs/dbraw/zinc/06/78/25/207067825.db2.gz KXCRBEPNDLLUKM-LJQANCHMSA-N 2 1 318.505 3.080 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccco1 ZINC000268899775 207068388 /nfs/dbraw/zinc/06/83/88/207068388.db2.gz BDLFOCKXFBGOCT-HNNXBMFYSA-N 2 1 314.429 3.087 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268910941 207078868 /nfs/dbraw/zinc/07/88/68/207078868.db2.gz RASHGUCOSCYICT-UHOSZYNNSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268910941 207078872 /nfs/dbraw/zinc/07/88/72/207078872.db2.gz RASHGUCOSCYICT-UHOSZYNNSA-N 2 1 304.478 3.036 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268926799 207094069 /nfs/dbraw/zinc/09/40/69/207094069.db2.gz YBSRHWCFWIAGEK-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268926799 207094073 /nfs/dbraw/zinc/09/40/73/207094073.db2.gz YBSRHWCFWIAGEK-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000268966996 207129957 /nfs/dbraw/zinc/12/99/57/207129957.db2.gz YQYIMOGAJCYNBB-WMLDXEAASA-N 2 1 310.869 3.228 20 0 DGADMP COc1ccc(OC)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000061003132 184159403 /nfs/dbraw/zinc/15/94/03/184159403.db2.gz YKKLKIWOQGAZEO-UHFFFAOYSA-N 2 1 306.450 3.103 20 0 DGADMP COc1ccc(CCC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000269128742 207261840 /nfs/dbraw/zinc/26/18/40/207261840.db2.gz HQLULIKQENHLTF-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP COc1ccc(CCC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000269128742 207261842 /nfs/dbraw/zinc/26/18/42/207261842.db2.gz HQLULIKQENHLTF-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294439888 224029743 /nfs/dbraw/zinc/02/97/43/224029743.db2.gz XSKLVUMUPWTWBX-ZDUSSCGKSA-N 2 1 312.404 3.415 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294439888 224029744 /nfs/dbraw/zinc/02/97/44/224029744.db2.gz XSKLVUMUPWTWBX-ZDUSSCGKSA-N 2 1 312.404 3.415 20 0 DGADMP COC1(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000294555167 224086445 /nfs/dbraw/zinc/08/64/45/224086445.db2.gz LBOJHQMMDXQKLB-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000248585798 285008082 /nfs/dbraw/zinc/00/80/82/285008082.db2.gz XOEPDEVYTKIVJU-VSZNYVQBSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H]1C ZINC000248649227 285014045 /nfs/dbraw/zinc/01/40/45/285014045.db2.gz RFWLHCBHBVWGDL-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000119652667 195009849 /nfs/dbraw/zinc/00/98/49/195009849.db2.gz BDXLUNLHKSOOEE-AWEZNQCLSA-N 2 1 318.461 3.290 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])OC(C)C ZINC000423052785 533013960 /nfs/dbraw/zinc/01/39/60/533013960.db2.gz QMCASCNGOFDBQJ-SCTDSRPQSA-N 2 1 320.477 3.411 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC(F)F ZINC000336853781 253007991 /nfs/dbraw/zinc/00/79/91/253007991.db2.gz KAXABHPGBCSZQK-ZDUSSCGKSA-N 2 1 316.392 3.102 20 0 DGADMP Cc1ccc(-c2cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)on2)cc1 ZINC000336855628 253008495 /nfs/dbraw/zinc/00/84/95/253008495.db2.gz XRCHEUVDEPZRGM-KRWDZBQOSA-N 2 1 301.434 3.455 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)on2)cc1 ZINC000336855628 253008497 /nfs/dbraw/zinc/00/84/97/253008497.db2.gz XRCHEUVDEPZRGM-KRWDZBQOSA-N 2 1 301.434 3.455 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCC4)c2)CCO1 ZINC000337524656 253133147 /nfs/dbraw/zinc/13/31/47/253133147.db2.gz RHUMFCNABBSRKS-LPHOPBHVSA-N 2 1 314.473 3.330 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCC4)c2)CCO1 ZINC000337524656 253133149 /nfs/dbraw/zinc/13/31/49/253133149.db2.gz RHUMFCNABBSRKS-LPHOPBHVSA-N 2 1 314.473 3.330 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000338015896 253211084 /nfs/dbraw/zinc/21/10/84/253211084.db2.gz XVBFGWCOCSJYQV-APWZRJJASA-N 3 1 318.509 3.214 20 0 DGADMP CC[NH+](CC)CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302084 253261827 /nfs/dbraw/zinc/26/18/27/253261827.db2.gz IJYBWKJMWOUMJE-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000338302084 253261828 /nfs/dbraw/zinc/26/18/28/253261828.db2.gz IJYBWKJMWOUMJE-QUCCMNQESA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302084 253261829 /nfs/dbraw/zinc/26/18/29/253261829.db2.gz IJYBWKJMWOUMJE-QUCCMNQESA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338323492 253266207 /nfs/dbraw/zinc/26/62/07/253266207.db2.gz ZYGZRRVFOZOSJM-CVEARBPZSA-N 2 1 318.452 3.245 20 0 DGADMP CC[C@@H](F)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338631545 253322979 /nfs/dbraw/zinc/32/29/79/253322979.db2.gz GFBATKHXEZKGQG-KGLIPLIRSA-N 2 1 311.470 3.178 20 0 DGADMP CC[C@@H](F)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338631545 253322980 /nfs/dbraw/zinc/32/29/80/253322980.db2.gz GFBATKHXEZKGQG-KGLIPLIRSA-N 2 1 311.470 3.178 20 0 DGADMP O[C@H](CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000286474077 219008435 /nfs/dbraw/zinc/00/84/35/219008435.db2.gz PJLGCWAXWZXOSB-RBUKOAKNSA-N 2 1 302.462 3.060 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158616040 197288475 /nfs/dbraw/zinc/28/84/75/197288475.db2.gz MGBAXVPAMABZCH-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158616040 197288477 /nfs/dbraw/zinc/28/84/77/197288477.db2.gz MGBAXVPAMABZCH-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158616040 197288479 /nfs/dbraw/zinc/28/84/79/197288479.db2.gz MGBAXVPAMABZCH-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282358375 285148492 /nfs/dbraw/zinc/14/84/92/285148492.db2.gz WBIDMEKSEKXDBF-AZUAARDMSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000158196119 197252573 /nfs/dbraw/zinc/25/25/73/197252573.db2.gz CHOVCVRUCZBRHO-YSHGAJCASA-N 2 1 302.462 3.227 20 0 DGADMP Cc1cccc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000157896821 197224540 /nfs/dbraw/zinc/22/45/40/197224540.db2.gz SQRZBMSXCAXZCD-IRXDYDNUSA-N 2 1 317.477 3.106 20 0 DGADMP CC[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC000342873396 254069187 /nfs/dbraw/zinc/06/91/87/254069187.db2.gz LZKLPWGDGVJAMO-CQSZACIVSA-N 2 1 309.454 3.024 20 0 DGADMP CC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC000342873396 254069190 /nfs/dbraw/zinc/06/91/90/254069190.db2.gz LZKLPWGDGVJAMO-CQSZACIVSA-N 2 1 309.454 3.024 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000342929325 254076448 /nfs/dbraw/zinc/07/64/48/254076448.db2.gz RDBZFVHGBXXDDM-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000342929325 254076450 /nfs/dbraw/zinc/07/64/50/254076450.db2.gz RDBZFVHGBXXDDM-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000342929325 254076453 /nfs/dbraw/zinc/07/64/53/254076453.db2.gz RDBZFVHGBXXDDM-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP CCC1CC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000342738592 254040147 /nfs/dbraw/zinc/04/01/47/254040147.db2.gz SEEYYTSMMHCAAF-MDCZIUGASA-N 2 1 302.462 3.186 20 0 DGADMP CCC1CC([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000342738592 254040149 /nfs/dbraw/zinc/04/01/49/254040149.db2.gz SEEYYTSMMHCAAF-MDCZIUGASA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1ccnc1 ZINC000342746732 254041731 /nfs/dbraw/zinc/04/17/31/254041731.db2.gz GXIXTTFRCNKRKZ-DOMZBBRYSA-N 2 1 302.447 3.300 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1ccnc1 ZINC000342746732 254041733 /nfs/dbraw/zinc/04/17/33/254041733.db2.gz GXIXTTFRCNKRKZ-DOMZBBRYSA-N 2 1 302.447 3.300 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342826054 254060579 /nfs/dbraw/zinc/06/05/79/254060579.db2.gz SACAGVZRNYSVKQ-CRAIPNDOSA-N 2 1 324.472 3.092 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342826054 254060581 /nfs/dbraw/zinc/06/05/81/254060581.db2.gz SACAGVZRNYSVKQ-CRAIPNDOSA-N 2 1 324.472 3.092 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000343520560 254155452 /nfs/dbraw/zinc/15/54/52/254155452.db2.gz UGJPXIXOSQKGDQ-INIZCTEOSA-N 2 1 306.425 3.286 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343529722 254156559 /nfs/dbraw/zinc/15/65/59/254156559.db2.gz CEEPYQSSSIXLOX-HOTGVXAUSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343529722 254156560 /nfs/dbraw/zinc/15/65/60/254156560.db2.gz CEEPYQSSSIXLOX-HOTGVXAUSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343529722 254156562 /nfs/dbraw/zinc/15/65/62/254156562.db2.gz CEEPYQSSSIXLOX-HOTGVXAUSA-N 2 1 312.498 3.303 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000343559440 254160403 /nfs/dbraw/zinc/16/04/03/254160403.db2.gz DIKHDCOJCNWUCV-INIZCTEOSA-N 2 1 317.477 3.197 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000343559440 254160405 /nfs/dbraw/zinc/16/04/05/254160405.db2.gz DIKHDCOJCNWUCV-INIZCTEOSA-N 2 1 317.477 3.197 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000343559440 254160406 /nfs/dbraw/zinc/16/04/06/254160406.db2.gz DIKHDCOJCNWUCV-INIZCTEOSA-N 2 1 317.477 3.197 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343869435 254197662 /nfs/dbraw/zinc/19/76/62/254197662.db2.gz VFPUIEVTLIDGSX-MRXNPFEDSA-N 2 1 323.868 3.215 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343869435 254197663 /nfs/dbraw/zinc/19/76/63/254197663.db2.gz VFPUIEVTLIDGSX-MRXNPFEDSA-N 2 1 323.868 3.215 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044831 254217738 /nfs/dbraw/zinc/21/77/38/254217738.db2.gz XORRYXFXEIVKDJ-OAHLLOKOSA-N 2 1 311.901 3.216 20 0 DGADMP Cc1cnccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000294656896 224147954 /nfs/dbraw/zinc/14/79/54/224147954.db2.gz AAPQMTWMINYSIR-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cnccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000294656896 224147957 /nfs/dbraw/zinc/14/79/57/224147957.db2.gz AAPQMTWMINYSIR-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cnccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000294656896 224147959 /nfs/dbraw/zinc/14/79/59/224147959.db2.gz AAPQMTWMINYSIR-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cnccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000294656896 224147962 /nfs/dbraw/zinc/14/79/62/224147962.db2.gz AAPQMTWMINYSIR-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000344624216 254289918 /nfs/dbraw/zinc/28/99/18/254289918.db2.gz IGJUTCOGWYOBLQ-BLLLJJGKSA-N 2 1 318.852 3.302 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000344548248 254281679 /nfs/dbraw/zinc/28/16/79/254281679.db2.gz NFBCCIUMXVELMD-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000344548248 254281681 /nfs/dbraw/zinc/28/16/81/254281681.db2.gz NFBCCIUMXVELMD-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000344690223 254295731 /nfs/dbraw/zinc/29/57/31/254295731.db2.gz WMGDYYLFPIPALC-WDEREUQCSA-N 2 1 317.296 3.391 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345192342 254339351 /nfs/dbraw/zinc/33/93/51/254339351.db2.gz STBMKDMHIFSPIL-HNNXBMFYSA-N 2 1 311.267 3.413 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344775368 254304102 /nfs/dbraw/zinc/30/41/02/254304102.db2.gz WPAPSXCQXBZCHE-MJGOQNOKSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344775368 254304103 /nfs/dbraw/zinc/30/41/03/254304103.db2.gz WPAPSXCQXBZCHE-MJGOQNOKSA-N 2 1 304.478 3.038 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000344798461 254307187 /nfs/dbraw/zinc/30/71/87/254307187.db2.gz CTMRQJKNCAIILW-ZWKOTPCHSA-N 2 1 306.498 3.454 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(COC)o1 ZINC000344814509 254307921 /nfs/dbraw/zinc/30/79/21/254307921.db2.gz JVNDNZSXDAYUGL-CRAIPNDOSA-N 2 1 308.466 3.416 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000344844598 254310318 /nfs/dbraw/zinc/31/03/18/254310318.db2.gz SBMBJFFIHPEMSP-GOEBONIOSA-N 2 1 324.538 3.199 20 0 DGADMP CCCCOCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272367726 285210802 /nfs/dbraw/zinc/21/08/02/285210802.db2.gz ALYLJADGGUGBJW-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000120573445 195194203 /nfs/dbraw/zinc/19/42/03/195194203.db2.gz BWFJBNKRSARWFA-INIZCTEOSA-N 2 1 320.477 3.476 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnccc2C)[C@H](C)C1 ZINC000271574510 209024895 /nfs/dbraw/zinc/02/48/95/209024895.db2.gz QEFCZTLNSFMNGD-AOIWGVFYSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnccc2C)[C@H](C)C1 ZINC000271574510 209024896 /nfs/dbraw/zinc/02/48/96/209024896.db2.gz QEFCZTLNSFMNGD-AOIWGVFYSA-N 2 1 319.493 3.178 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271574437 209025777 /nfs/dbraw/zinc/02/57/77/209025777.db2.gz ZNBJWOMYSPJJJV-ZIFCJYIRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271574437 209025780 /nfs/dbraw/zinc/02/57/80/209025780.db2.gz ZNBJWOMYSPJJJV-ZIFCJYIRSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)OCCc2ccccc21 ZINC000289799411 221235511 /nfs/dbraw/zinc/23/55/11/221235511.db2.gz NRELYLREOYAMBG-QWFCFKBJSA-N 2 1 314.473 3.081 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000353535631 285360901 /nfs/dbraw/zinc/36/09/01/285360901.db2.gz KQIHVINASQODOK-OWCLPIDISA-N 2 1 312.498 3.064 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000121587585 195311540 /nfs/dbraw/zinc/31/15/40/195311540.db2.gz IBQOHEVLCXUUQO-HOTGVXAUSA-N 2 1 317.477 3.418 20 0 DGADMP CC(C)c1ncc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000121758859 195342061 /nfs/dbraw/zinc/34/20/61/195342061.db2.gz NPTGUFDOHTVAIF-UHFFFAOYSA-N 2 1 318.490 3.455 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000415040514 533353140 /nfs/dbraw/zinc/35/31/40/533353140.db2.gz KBQZPIKDVUPGLP-RDTXWAMCSA-N 2 1 314.429 3.405 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCCC34CCOCC4)CC[NH2+]2)cc1 ZINC000423113236 285490451 /nfs/dbraw/zinc/49/04/51/285490451.db2.gz KQOKAZRYLFCZIN-CEXWTWQISA-N 2 1 314.473 3.419 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1F ZINC000356846799 285520338 /nfs/dbraw/zinc/52/03/38/285520338.db2.gz IZTJFOAITYZCDR-CJNGLKHVSA-N 2 1 317.408 3.225 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414776324 292031334 /nfs/dbraw/zinc/03/13/34/292031334.db2.gz HAAPVLUGWBYTNF-QZTJIDSGSA-N 2 1 324.472 3.207 20 0 DGADMP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000447535302 292033273 /nfs/dbraw/zinc/03/32/73/292033273.db2.gz FBTFNZITRXHOMM-HUUCEWRRSA-N 2 1 322.449 3.371 20 0 DGADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000595081592 400101699 /nfs/dbraw/zinc/10/16/99/400101699.db2.gz SMRNJPGVZQUTOZ-JCYILVPMSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000595081592 400101701 /nfs/dbraw/zinc/10/17/01/400101701.db2.gz SMRNJPGVZQUTOZ-JCYILVPMSA-N 2 1 322.493 3.105 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000067507191 400174712 /nfs/dbraw/zinc/17/47/12/400174712.db2.gz NGOMTYGCTRRPPK-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000067507199 400174978 /nfs/dbraw/zinc/17/49/78/400174978.db2.gz CJEKEELSIXISDY-CQSZACIVSA-N 2 1 316.424 3.036 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000092471466 400175369 /nfs/dbraw/zinc/17/53/69/400175369.db2.gz MQFMUFVSDXKHGP-INIZCTEOSA-N 2 1 301.478 3.059 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000322823319 400175483 /nfs/dbraw/zinc/17/54/83/400175483.db2.gz HKBCIRIOQNXPNG-FVQBIDKESA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000322823319 400175491 /nfs/dbraw/zinc/17/54/91/400175491.db2.gz HKBCIRIOQNXPNG-FVQBIDKESA-N 2 1 315.392 3.040 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCCn2ccnc2C)[C@@H]1C ZINC000595553990 400186730 /nfs/dbraw/zinc/18/67/30/400186730.db2.gz CSCBAEBRDBKLFM-ZMSDIMECSA-N 2 1 321.465 3.024 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCCn2cc[nH+]c2C)[C@@H]1C ZINC000595553990 400186733 /nfs/dbraw/zinc/18/67/33/400186733.db2.gz CSCBAEBRDBKLFM-ZMSDIMECSA-N 2 1 321.465 3.024 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCCn2cc[nH+]c2C)[C@@H]1C ZINC000595553990 400186738 /nfs/dbraw/zinc/18/67/38/400186738.db2.gz CSCBAEBRDBKLFM-ZMSDIMECSA-N 2 1 321.465 3.024 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690226 400224177 /nfs/dbraw/zinc/22/41/77/400224177.db2.gz CURTUZOABXDNOX-TZIWHRDSSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690226 400224180 /nfs/dbraw/zinc/22/41/80/400224180.db2.gz CURTUZOABXDNOX-TZIWHRDSSA-N 2 1 324.468 3.065 20 0 DGADMP C[N@@H+](CCCCCCO)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821699 400206999 /nfs/dbraw/zinc/20/69/99/400206999.db2.gz OIDCVEANQUCDQM-UHFFFAOYSA-N 2 1 319.493 3.173 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]CC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000589639617 400313062 /nfs/dbraw/zinc/31/30/62/400313062.db2.gz RIMBNNLOLVOBTH-SFHVURJKSA-N 2 1 303.494 3.001 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641163 400315745 /nfs/dbraw/zinc/31/57/45/400315745.db2.gz HIHZBECAPJIVCW-OAHLLOKOSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641163 400315748 /nfs/dbraw/zinc/31/57/48/400315748.db2.gz HIHZBECAPJIVCW-OAHLLOKOSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641163 400315750 /nfs/dbraw/zinc/31/57/50/400315750.db2.gz HIHZBECAPJIVCW-OAHLLOKOSA-N 2 1 300.450 3.165 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000072966241 400420603 /nfs/dbraw/zinc/42/06/03/400420603.db2.gz RPFUVYWPWXGJMS-PKOBYXMFSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000072966241 400420605 /nfs/dbraw/zinc/42/06/05/400420605.db2.gz RPFUVYWPWXGJMS-PKOBYXMFSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000072966241 400420606 /nfs/dbraw/zinc/42/06/06/400420606.db2.gz RPFUVYWPWXGJMS-PKOBYXMFSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000072966241 400420607 /nfs/dbraw/zinc/42/06/07/400420607.db2.gz RPFUVYWPWXGJMS-PKOBYXMFSA-N 2 1 318.509 3.086 20 0 DGADMP CC[N@H+]1CCC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000121802393 400457639 /nfs/dbraw/zinc/45/76/39/400457639.db2.gz DKEHKPOSBFYWQS-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000121802393 400457643 /nfs/dbraw/zinc/45/76/43/400457643.db2.gz DKEHKPOSBFYWQS-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000121802393 400457648 /nfs/dbraw/zinc/45/76/48/400457648.db2.gz DKEHKPOSBFYWQS-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP CSC[C@H]1CCC[N@H+]1C/C=C/C[NH+]1CCC[C@H]1CSC ZINC000135419411 400586121 /nfs/dbraw/zinc/58/61/21/400586121.db2.gz HGIZCSVRGOHWJS-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP CSC[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1CSC ZINC000135419411 400586124 /nfs/dbraw/zinc/58/61/24/400586124.db2.gz HGIZCSVRGOHWJS-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP CSC[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1CSC ZINC000135419411 400586127 /nfs/dbraw/zinc/58/61/27/400586127.db2.gz HGIZCSVRGOHWJS-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000602876329 400596701 /nfs/dbraw/zinc/59/67/01/400596701.db2.gz JEPKCAYRJMMMOI-UHFFFAOYSA-N 2 1 321.465 3.216 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150799172 400666906 /nfs/dbraw/zinc/66/69/06/400666906.db2.gz XTGYALRHUGOYHZ-SFHVURJKSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150841093 400667789 /nfs/dbraw/zinc/66/77/89/400667789.db2.gz BDXSAYNNWNQNOG-GOSISDBHSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150841093 400667792 /nfs/dbraw/zinc/66/77/92/400667792.db2.gz BDXSAYNNWNQNOG-GOSISDBHSA-N 2 1 302.462 3.100 20 0 DGADMP Clc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517459 400697204 /nfs/dbraw/zinc/69/72/04/400697204.db2.gz XSMFLHQRZGSANY-KRWDZBQOSA-N 2 1 308.853 3.073 20 0 DGADMP Cc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157372507 400716752 /nfs/dbraw/zinc/71/67/52/400716752.db2.gz KTTQDFKOJOMIMP-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1cccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157372507 400716759 /nfs/dbraw/zinc/71/67/59/400716759.db2.gz KTTQDFKOJOMIMP-GOSISDBHSA-N 2 1 302.462 3.324 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468948 400918118 /nfs/dbraw/zinc/91/81/18/400918118.db2.gz PFOBGZYLGYRHTB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468948 400918121 /nfs/dbraw/zinc/91/81/21/400918121.db2.gz PFOBGZYLGYRHTB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606468948 400918123 /nfs/dbraw/zinc/91/81/23/400918123.db2.gz PFOBGZYLGYRHTB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606468948 400918125 /nfs/dbraw/zinc/91/81/25/400918125.db2.gz PFOBGZYLGYRHTB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598980029 400920038 /nfs/dbraw/zinc/92/00/38/400920038.db2.gz GKASVNZVCVCKEB-CABCVRRESA-N 2 1 312.498 3.063 20 0 DGADMP COC(=O)CC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000599025773 400931145 /nfs/dbraw/zinc/93/11/45/400931145.db2.gz QJBOWUNNCVPWLE-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP COC(=O)CC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000599025773 400931151 /nfs/dbraw/zinc/93/11/51/400931151.db2.gz QJBOWUNNCVPWLE-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000629580413 400981750 /nfs/dbraw/zinc/98/17/50/400981750.db2.gz BBBIIZUSOIRHDQ-UHFFFAOYSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1cccc3ccccc31)C2 ZINC000629585142 400983246 /nfs/dbraw/zinc/98/32/46/400983246.db2.gz LJKWFYDLZYGGJB-BGYRXZFFSA-N 2 1 310.441 3.150 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1cccc3ccccc31)C2 ZINC000629585142 400983252 /nfs/dbraw/zinc/98/32/52/400983252.db2.gz LJKWFYDLZYGGJB-BGYRXZFFSA-N 2 1 310.441 3.150 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629589866 400984548 /nfs/dbraw/zinc/98/45/48/400984548.db2.gz BTQUJINCUVIIHL-FCEWJHQRSA-N 2 1 302.462 3.010 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000629589449 400984873 /nfs/dbraw/zinc/98/48/73/400984873.db2.gz WSVJHRIEJLAWGE-GOEBONIOSA-N 2 1 306.425 3.013 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@@H]1C(F)(F)F ZINC000629654697 401020131 /nfs/dbraw/zinc/02/01/31/401020131.db2.gz PQYMJGWXGYOXGE-HOCLYGCPSA-N 2 1 312.379 3.134 20 0 DGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000599301867 401016818 /nfs/dbraw/zinc/01/68/18/401016818.db2.gz DBAMIQPTMBGASY-RBUKOAKNSA-N 2 1 309.542 3.303 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1=Cc2ccccc2OC1 ZINC000629653832 401020866 /nfs/dbraw/zinc/02/08/66/401020866.db2.gz KKFUPYFIXVRSEP-UHFFFAOYSA-N 2 1 308.425 3.313 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629655981 401020917 /nfs/dbraw/zinc/02/09/17/401020917.db2.gz ZFZNMBJUCDEWSU-XUWVNRHRSA-N 2 1 312.379 3.249 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccsc2)CC[C@@H]1C(F)(F)F ZINC000629562462 400976911 /nfs/dbraw/zinc/97/69/11/400976911.db2.gz NHWMZYPXCVLHOU-OLZOCXBDSA-N 2 1 306.397 3.140 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563931 400977014 /nfs/dbraw/zinc/97/70/14/400977014.db2.gz SFNMGXRYCARXHM-KBXIAJHMSA-N 2 1 322.415 3.041 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563931 400977017 /nfs/dbraw/zinc/97/70/17/400977017.db2.gz SFNMGXRYCARXHM-KBXIAJHMSA-N 2 1 322.415 3.041 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@H]1C(F)(F)F ZINC000629562637 400977799 /nfs/dbraw/zinc/97/77/99/400977799.db2.gz ONCRCPSIXDENBM-KCPJHIHWSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@H]1C(F)(F)F ZINC000629562637 400977805 /nfs/dbraw/zinc/97/78/05/400977805.db2.gz ONCRCPSIXDENBM-KCPJHIHWSA-N 2 1 316.342 3.272 20 0 DGADMP CCOCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629575742 400979466 /nfs/dbraw/zinc/97/94/66/400979466.db2.gz QIRJRMPPLUIDAX-QFBILLFUSA-N 2 1 302.462 3.012 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000081292954 401050542 /nfs/dbraw/zinc/05/05/42/401050542.db2.gz IWMSLWDLPHOVFC-UHFFFAOYSA-N 2 1 300.450 3.002 20 0 DGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000629707429 401052448 /nfs/dbraw/zinc/05/24/48/401052448.db2.gz LBPKYPGTADYKKV-IBGZPJMESA-N 2 1 312.461 3.273 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(O)ccc2Cl)C1 ZINC000625212483 401060851 /nfs/dbraw/zinc/06/08/51/401060851.db2.gz QFPLACLFQRZYNS-CQSZACIVSA-N 2 1 308.853 3.209 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586914 401085612 /nfs/dbraw/zinc/08/56/12/401085612.db2.gz BHZNGTVGCUIDME-IRXDYDNUSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586914 401085619 /nfs/dbraw/zinc/08/56/19/401085619.db2.gz BHZNGTVGCUIDME-IRXDYDNUSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223221 286002221 /nfs/dbraw/zinc/00/22/21/286002221.db2.gz AHHGTMDHMVMXDJ-OXJNMPFZSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223221 286002223 /nfs/dbraw/zinc/00/22/23/286002223.db2.gz AHHGTMDHMVMXDJ-OXJNMPFZSA-N 2 1 310.441 3.071 20 0 DGADMP CC(C)CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254047 286012009 /nfs/dbraw/zinc/01/20/09/286012009.db2.gz PKAHOMZMILTTIJ-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254047 286012010 /nfs/dbraw/zinc/01/20/10/286012010.db2.gz PKAHOMZMILTTIJ-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP CCCc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000621350783 401179223 /nfs/dbraw/zinc/17/92/23/401179223.db2.gz TVUYJWMCSPQAPR-HNNXBMFYSA-N 2 1 310.507 3.291 20 0 DGADMP CCCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000621350783 401179225 /nfs/dbraw/zinc/17/92/25/401179225.db2.gz TVUYJWMCSPQAPR-HNNXBMFYSA-N 2 1 310.507 3.291 20 0 DGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1SC ZINC000063915430 401223928 /nfs/dbraw/zinc/22/39/28/401223928.db2.gz REENRKXDWGJSRO-UHFFFAOYSA-N 2 1 305.447 3.102 20 0 DGADMP O[C@@H]1CC[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]12 ZINC000626140368 401311024 /nfs/dbraw/zinc/31/10/24/401311024.db2.gz ZDPMTNRFLIBDSW-XUVXKRRUSA-N 2 1 314.473 3.018 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1F ZINC000634679431 401331994 /nfs/dbraw/zinc/33/19/94/401331994.db2.gz UVHXBZJDAYSACE-HNNXBMFYSA-N 2 1 317.408 3.367 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634733122 401341267 /nfs/dbraw/zinc/34/12/67/401341267.db2.gz XIBAWXXWSLHBBV-BHIYHBOVSA-N 3 1 321.553 3.397 20 0 DGADMP CC[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063316 401292691 /nfs/dbraw/zinc/29/26/91/401292691.db2.gz ZGRSBJRHBFKFGX-LJQANCHMSA-N 2 1 320.477 3.113 20 0 DGADMP Nc1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])n2)cc1 ZINC000634994475 401397634 /nfs/dbraw/zinc/39/76/34/401397634.db2.gz DXMXJBTYYWCJDG-GOSISDBHSA-N 2 1 310.445 3.034 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000635004768 401399734 /nfs/dbraw/zinc/39/97/34/401399734.db2.gz FBKSJFVAMXBYHC-DGCLKSJQSA-N 2 1 312.379 3.459 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005680 401399897 /nfs/dbraw/zinc/39/98/97/401399897.db2.gz JXALDPIMLUSTQK-LFGUQSLTSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005680 401399899 /nfs/dbraw/zinc/39/98/99/401399899.db2.gz JXALDPIMLUSTQK-LFGUQSLTSA-N 3 1 315.505 3.004 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Br ZINC000635010520 401402816 /nfs/dbraw/zinc/40/28/16/401402816.db2.gz AEFYCYKJHRTKQB-LLVKDONJSA-N 2 1 320.234 3.416 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000635012864 401403335 /nfs/dbraw/zinc/40/33/35/401403335.db2.gz WKYPNSHXYCQZSL-CVEARBPZSA-N 2 1 304.482 3.399 20 0 DGADMP C[NH+]1CCC([NH2+]CCc2ccccc2OCc2ccccc2)CC1 ZINC000631188311 401419977 /nfs/dbraw/zinc/41/99/77/401419977.db2.gz AUZIOMNQOYUMTP-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631192953 401421681 /nfs/dbraw/zinc/42/16/81/401421681.db2.gz BLMUNFVXPAOXJJ-FXAWDEMLSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631193899 401422145 /nfs/dbraw/zinc/42/21/45/401422145.db2.gz HCZDENNRXRHHIQ-HPUSYDDDSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC000631196277 401423741 /nfs/dbraw/zinc/42/37/41/401423741.db2.gz PSLCURWQXQTOMT-HOCLYGCPSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC000631196277 401423743 /nfs/dbraw/zinc/42/37/43/401423743.db2.gz PSLCURWQXQTOMT-HOCLYGCPSA-N 2 1 301.459 3.001 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631199824 401424519 /nfs/dbraw/zinc/42/45/19/401424519.db2.gz RPXYQNJNCCOMAC-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631199824 401424522 /nfs/dbraw/zinc/42/45/22/401424522.db2.gz RPXYQNJNCCOMAC-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635651310 401468103 /nfs/dbraw/zinc/46/81/03/401468103.db2.gz ITPYTGKUYDPXED-GOSISDBHSA-N 2 1 315.461 3.012 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635653173 401468752 /nfs/dbraw/zinc/46/87/52/401468752.db2.gz VVRJFJARBLGXNC-UHFFFAOYSA-N 2 1 314.433 3.015 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(C2CCC2)cc1 ZINC000631610197 401513651 /nfs/dbraw/zinc/51/36/51/401513651.db2.gz SUVNBBFMMHTVGA-HNNXBMFYSA-N 2 1 302.462 3.061 20 0 DGADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647823 401523298 /nfs/dbraw/zinc/52/32/98/401523298.db2.gz INRDZXIOXUINNG-XWSJACJDSA-N 2 1 318.505 3.046 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(OC)c1OC ZINC000631652546 401524468 /nfs/dbraw/zinc/52/44/68/401524468.db2.gz RUAQABDOQJJILL-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631652546 401524471 /nfs/dbraw/zinc/52/44/71/401524471.db2.gz RUAQABDOQJJILL-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000631652223 401524676 /nfs/dbraw/zinc/52/46/76/401524676.db2.gz OWHNJJBSONFYRQ-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000631652223 401524679 /nfs/dbraw/zinc/52/46/79/401524679.db2.gz OWHNJJBSONFYRQ-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000631652224 401524877 /nfs/dbraw/zinc/52/48/77/401524877.db2.gz OWHNJJBSONFYRQ-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000631652224 401524878 /nfs/dbraw/zinc/52/48/78/401524878.db2.gz OWHNJJBSONFYRQ-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000631662272 401528193 /nfs/dbraw/zinc/52/81/93/401528193.db2.gz DGWOCHXEYFMNGL-UHOSZYNNSA-N 2 1 304.478 3.015 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000631665353 401529115 /nfs/dbraw/zinc/52/91/15/401529115.db2.gz WLNKKQASHSNZJR-FUHIMQAGSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1ncncc1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631666093 401529678 /nfs/dbraw/zinc/52/96/78/401529678.db2.gz ZVPRKTZWLAXVFD-JTDSTZFVSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631666093 401529680 /nfs/dbraw/zinc/52/96/80/401529680.db2.gz ZVPRKTZWLAXVFD-JTDSTZFVSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631666093 401529685 /nfs/dbraw/zinc/52/96/85/401529685.db2.gz ZVPRKTZWLAXVFD-JTDSTZFVSA-N 2 1 324.472 3.204 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654620 401562614 /nfs/dbraw/zinc/56/26/14/401562614.db2.gz DPQIKJFQOUISLC-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000623657283 401563396 /nfs/dbraw/zinc/56/33/96/401563396.db2.gz MQUQFQRTJJEDGK-LMMKCTJWSA-N 2 1 301.478 3.429 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000623657049 401563430 /nfs/dbraw/zinc/56/34/30/401563430.db2.gz IXBKQYDGGJAZDE-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000623657049 401563432 /nfs/dbraw/zinc/56/34/32/401563432.db2.gz IXBKQYDGGJAZDE-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000623656004 401563596 /nfs/dbraw/zinc/56/35/96/401563596.db2.gz KVOOHBFERBYDDT-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000623656004 401563597 /nfs/dbraw/zinc/56/35/97/401563597.db2.gz KVOOHBFERBYDDT-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000623656625 401563808 /nfs/dbraw/zinc/56/38/08/401563808.db2.gz YNAQVPKRZIRZCZ-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623656625 401563810 /nfs/dbraw/zinc/56/38/10/401563810.db2.gz YNAQVPKRZIRZCZ-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656625 401563813 /nfs/dbraw/zinc/56/38/13/401563813.db2.gz YNAQVPKRZIRZCZ-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623656625 401563815 /nfs/dbraw/zinc/56/38/15/401563815.db2.gz YNAQVPKRZIRZCZ-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656625 401563819 /nfs/dbraw/zinc/56/38/19/401563819.db2.gz YNAQVPKRZIRZCZ-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000623888511 401594534 /nfs/dbraw/zinc/59/45/34/401594534.db2.gz JOWXZCMJLALYER-HXUWFJFHSA-N 2 1 317.521 3.015 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000628188294 401545444 /nfs/dbraw/zinc/54/54/44/401545444.db2.gz VMZLPADUQILKFY-MRXNPFEDSA-N 2 1 304.482 3.195 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000628188294 401545446 /nfs/dbraw/zinc/54/54/46/401545446.db2.gz VMZLPADUQILKFY-MRXNPFEDSA-N 2 1 304.482 3.195 20 0 DGADMP c1[nH]nc2cccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c12 ZINC000628190866 401546636 /nfs/dbraw/zinc/54/66/36/401546636.db2.gz STTAQPFLOMUJOA-HNAYVOBHSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c12 ZINC000628190866 401546640 /nfs/dbraw/zinc/54/66/40/401546640.db2.gz STTAQPFLOMUJOA-HNAYVOBHSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000628190866 401546642 /nfs/dbraw/zinc/54/66/42/401546642.db2.gz STTAQPFLOMUJOA-HNAYVOBHSA-N 2 1 310.445 3.012 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH+](C)C1 ZINC000628243523 401558626 /nfs/dbraw/zinc/55/86/26/401558626.db2.gz WMZCKEHQMQEZCN-CQSZACIVSA-N 2 1 300.368 3.131 20 0 DGADMP C[NH+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CC[N@H+](C)C1 ZINC000628243523 401558629 /nfs/dbraw/zinc/55/86/29/401558629.db2.gz WMZCKEHQMQEZCN-CQSZACIVSA-N 2 1 300.368 3.131 20 0 DGADMP C[NH+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000628243523 401558633 /nfs/dbraw/zinc/55/86/33/401558633.db2.gz WMZCKEHQMQEZCN-CQSZACIVSA-N 2 1 300.368 3.131 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122532 401628890 /nfs/dbraw/zinc/62/88/90/401628890.db2.gz UCWKQLGHSHLGJY-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122532 401628892 /nfs/dbraw/zinc/62/88/92/401628892.db2.gz UCWKQLGHSHLGJY-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122532 401628894 /nfs/dbraw/zinc/62/88/94/401628894.db2.gz UCWKQLGHSHLGJY-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121756 401629000 /nfs/dbraw/zinc/62/90/00/401629000.db2.gz CLSKYLPJOVFWIF-HOTGVXAUSA-N 2 1 314.477 3.206 20 0 DGADMP C[NH+]1CCC(N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288306 401646461 /nfs/dbraw/zinc/64/64/61/401646461.db2.gz GURLDHDKHMQAFT-OAHLLOKOSA-N 2 1 317.260 3.101 20 0 DGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C)ccc1C ZINC000623978395 401608012 /nfs/dbraw/zinc/60/80/12/401608012.db2.gz RTJMDYZESLTRDP-LJQANCHMSA-N 2 1 317.521 3.370 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000358660482 286118019 /nfs/dbraw/zinc/11/80/19/286118019.db2.gz GLGGFZPCRCTWPB-RWQQGDIJSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715066 286131231 /nfs/dbraw/zinc/13/12/31/286131231.db2.gz MHSFPEIZVLXNOJ-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715066 286131232 /nfs/dbraw/zinc/13/12/32/286131232.db2.gz MHSFPEIZVLXNOJ-QRQLOZEOSA-N 2 1 304.478 3.036 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCn2ccnc2C)CC1)CC(C)C ZINC000358751143 286141704 /nfs/dbraw/zinc/14/17/04/286141704.db2.gz MVLWAYKZQTVPFW-UHFFFAOYSA-N 2 1 320.525 3.272 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340392768 286146327 /nfs/dbraw/zinc/14/63/27/286146327.db2.gz ZYTHOPIVNDMGQL-CEXWTWQISA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340392768 286146329 /nfs/dbraw/zinc/14/63/29/286146329.db2.gz ZYTHOPIVNDMGQL-CEXWTWQISA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000291080418 286146367 /nfs/dbraw/zinc/14/63/67/286146367.db2.gz BYCWBYKIGHDJJH-FFZOFVMBSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000291080418 286146372 /nfs/dbraw/zinc/14/63/72/286146372.db2.gz BYCWBYKIGHDJJH-FFZOFVMBSA-N 2 1 316.489 3.444 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cs1 ZINC000420316729 286193247 /nfs/dbraw/zinc/19/32/47/286193247.db2.gz MFUADCVLGYIHHJ-UONOGXRCSA-N 2 1 311.495 3.062 20 0 DGADMP CCO[C@@H](C)c1nc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cs1 ZINC000420316729 286193248 /nfs/dbraw/zinc/19/32/48/286193248.db2.gz MFUADCVLGYIHHJ-UONOGXRCSA-N 2 1 311.495 3.062 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359039569 286221606 /nfs/dbraw/zinc/22/16/06/286221606.db2.gz VCWXMPSBOSDIDM-UHOSZYNNSA-N 2 1 304.478 3.097 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359039569 286221607 /nfs/dbraw/zinc/22/16/07/286221607.db2.gz VCWXMPSBOSDIDM-UHOSZYNNSA-N 2 1 304.478 3.097 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000359089638 286234246 /nfs/dbraw/zinc/23/42/46/286234246.db2.gz YSLDZQQTXICQIB-ZWKOTPCHSA-N 2 1 306.494 3.213 20 0 DGADMP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359114884 286240528 /nfs/dbraw/zinc/24/05/28/286240528.db2.gz LNOFZYPTDLYSEV-GOSISDBHSA-N 2 1 302.462 3.187 20 0 DGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359218992 286262958 /nfs/dbraw/zinc/26/29/58/286262958.db2.gz MJWDPXAIFDGROZ-KRWDZBQOSA-N 2 1 318.436 3.110 20 0 DGADMP Clc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000359227442 286264939 /nfs/dbraw/zinc/26/49/39/286264939.db2.gz WILQUPWZMBKFED-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP COCC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000449235464 292266058 /nfs/dbraw/zinc/26/60/58/292266058.db2.gz URTPOQBGKDIDPX-RZZCCWGQSA-N 2 1 308.510 3.434 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000359684064 286360332 /nfs/dbraw/zinc/36/03/32/286360332.db2.gz KBPUQEJDFSAHJV-LJQANCHMSA-N 2 1 304.478 3.086 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000359684064 286360333 /nfs/dbraw/zinc/36/03/33/286360333.db2.gz KBPUQEJDFSAHJV-LJQANCHMSA-N 2 1 304.478 3.086 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000423342754 286362629 /nfs/dbraw/zinc/36/26/29/286362629.db2.gz VPFCDCLRPQXDDD-OALUTQOASA-N 2 1 314.473 3.453 20 0 DGADMP CSC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423287704 286676277 /nfs/dbraw/zinc/67/62/77/286676277.db2.gz NXJNIKRTYCQPSI-GFCCVEGCSA-N 2 1 306.397 3.436 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000363940439 286973589 /nfs/dbraw/zinc/97/35/89/286973589.db2.gz SYFMCYWLDAHZIT-SCTDSRPQSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364312623 287011024 /nfs/dbraw/zinc/01/10/24/287011024.db2.gz CDXPHUXLITXUCT-YJBOKZPZSA-N 2 1 313.420 3.221 20 0 DGADMP CC(C)N(C)c1ccc(CNCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000190697654 165212385 /nfs/dbraw/zinc/21/23/85/165212385.db2.gz YVLYLFRXKXZDTG-KRWDZBQOSA-N 2 1 318.509 3.280 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000190697654 165212390 /nfs/dbraw/zinc/21/23/90/165212390.db2.gz YVLYLFRXKXZDTG-KRWDZBQOSA-N 2 1 318.509 3.280 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000190697654 165212392 /nfs/dbraw/zinc/21/23/92/165212392.db2.gz YVLYLFRXKXZDTG-KRWDZBQOSA-N 2 1 318.509 3.280 20 0 DGADMP CCN(C)c1ccc(CNCCC[N@@H+](C)C2CCCCC2)cn1 ZINC000190719848 165213174 /nfs/dbraw/zinc/21/31/74/165213174.db2.gz ZZKVAUNPYSGPOF-UHFFFAOYSA-N 2 1 318.509 3.282 20 0 DGADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000190719848 165213179 /nfs/dbraw/zinc/21/31/79/165213179.db2.gz ZZKVAUNPYSGPOF-UHFFFAOYSA-N 2 1 318.509 3.282 20 0 DGADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000190719848 165213181 /nfs/dbraw/zinc/21/31/81/165213181.db2.gz ZZKVAUNPYSGPOF-UHFFFAOYSA-N 2 1 318.509 3.282 20 0 DGADMP COc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000190889749 165219510 /nfs/dbraw/zinc/21/95/10/165219510.db2.gz YCCCCKXMZJLYKU-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP COC[C@H](Cc1ccccc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000191487426 165251938 /nfs/dbraw/zinc/25/19/38/165251938.db2.gz RALNTNVWCAIINE-IBGZPJMESA-N 2 1 315.461 3.161 20 0 DGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000191487426 165251941 /nfs/dbraw/zinc/25/19/41/165251941.db2.gz RALNTNVWCAIINE-IBGZPJMESA-N 2 1 315.461 3.161 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000192166677 165284905 /nfs/dbraw/zinc/28/49/05/165284905.db2.gz JNZOHBRPBUEAET-OAHLLOKOSA-N 2 1 309.417 3.107 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(Cl)c1 ZINC000193009742 165314782 /nfs/dbraw/zinc/31/47/82/165314782.db2.gz OWKLTQUXBHQIJZ-WWTUQBGBSA-N 2 1 308.853 3.322 20 0 DGADMP COc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000193287642 165322751 /nfs/dbraw/zinc/32/27/51/165322751.db2.gz YBGKINIICQMNOP-ALOPSCKCSA-N 2 1 314.473 3.332 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000221790699 165379795 /nfs/dbraw/zinc/37/97/95/165379795.db2.gz DZDQQJWWIUXZRD-UHFFFAOYSA-N 2 1 304.356 3.405 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000221790699 165379798 /nfs/dbraw/zinc/37/97/98/165379798.db2.gz DZDQQJWWIUXZRD-UHFFFAOYSA-N 2 1 304.356 3.405 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)s2)c1 ZINC000365956408 287191941 /nfs/dbraw/zinc/19/19/41/287191941.db2.gz REXUZQYVRPJNJA-OLZOCXBDSA-N 2 1 303.431 3.120 20 0 DGADMP c1coc(-c2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)s2)c1 ZINC000365956408 287191943 /nfs/dbraw/zinc/19/19/43/287191943.db2.gz REXUZQYVRPJNJA-OLZOCXBDSA-N 2 1 303.431 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCSc1ccccc1F ZINC000136291102 432152750 /nfs/dbraw/zinc/15/27/50/432152750.db2.gz AIRBXBURTINRPT-UHFFFAOYSA-N 2 1 307.438 3.445 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCSc1ccccc1F ZINC000136291102 432152754 /nfs/dbraw/zinc/15/27/54/432152754.db2.gz AIRBXBURTINRPT-UHFFFAOYSA-N 2 1 307.438 3.445 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000129466276 196050799 /nfs/dbraw/zinc/05/07/99/196050799.db2.gz FKSHZHPGWLCXNT-IINYFYTJSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000129466276 196050801 /nfs/dbraw/zinc/05/08/01/196050801.db2.gz FKSHZHPGWLCXNT-IINYFYTJSA-N 2 1 304.331 3.417 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000246886237 432177664 /nfs/dbraw/zinc/17/76/64/432177664.db2.gz FEESBLHSVOGZOX-BZUAXINKSA-N 2 1 302.462 3.261 20 0 DGADMP CCn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000171835298 432178145 /nfs/dbraw/zinc/17/81/45/432178145.db2.gz BATVLGCVLRHYRN-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246910928 432179514 /nfs/dbraw/zinc/17/95/14/432179514.db2.gz FWWNZFSGDPZALI-SZMVWBNQSA-N 2 1 319.493 3.045 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246908645 432180289 /nfs/dbraw/zinc/18/02/89/432180289.db2.gz FTAYEEUVOMPEOH-GXTWGEPZSA-N 2 1 323.868 3.049 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246868594 432174343 /nfs/dbraw/zinc/17/43/43/432174343.db2.gz CVJCHTWJSPHOLZ-MJQMVNBJSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000246956514 432184895 /nfs/dbraw/zinc/18/48/95/432184895.db2.gz IJODXQQIDOQEEG-ZWJWXYIHSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000246956514 432184897 /nfs/dbraw/zinc/18/48/97/432184897.db2.gz IJODXQQIDOQEEG-ZWJWXYIHSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000246956514 432184900 /nfs/dbraw/zinc/18/49/00/432184900.db2.gz IJODXQQIDOQEEG-ZWJWXYIHSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)C1 ZINC000246956514 432184902 /nfs/dbraw/zinc/18/49/02/432184902.db2.gz IJODXQQIDOQEEG-ZWJWXYIHSA-N 2 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)C1 ZINC000246956514 432184903 /nfs/dbraw/zinc/18/49/03/432184903.db2.gz IJODXQQIDOQEEG-ZWJWXYIHSA-N 2 1 309.542 3.063 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182405539 432187728 /nfs/dbraw/zinc/18/77/28/432187728.db2.gz ZLHMKAWGVRPJLD-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP Cc1ccc(F)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000172043986 432192798 /nfs/dbraw/zinc/19/27/98/432192798.db2.gz HENJEZIFIUDHCW-IYBDPMFKSA-N 2 1 308.441 3.113 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N(C)C)cc1 ZINC000182492144 432195745 /nfs/dbraw/zinc/19/57/45/432195745.db2.gz VHSZFNQLRNWSGX-UZLBHIALSA-N 2 1 324.472 3.470 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000247064598 432197887 /nfs/dbraw/zinc/19/78/87/432197887.db2.gz NZXHQUCTUYZEKN-CRAIPNDOSA-N 2 1 317.477 3.245 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(Cc2cn3ccsc3n2)CC1 ZINC000172190009 432201013 /nfs/dbraw/zinc/20/10/13/432201013.db2.gz DWPMXUBLJYDCTB-UHFFFAOYSA-N 2 1 320.506 3.340 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000172190009 432201016 /nfs/dbraw/zinc/20/10/16/432201016.db2.gz DWPMXUBLJYDCTB-UHFFFAOYSA-N 2 1 320.506 3.340 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000172190009 432201020 /nfs/dbraw/zinc/20/10/20/432201020.db2.gz DWPMXUBLJYDCTB-UHFFFAOYSA-N 2 1 320.506 3.340 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000247092813 432201122 /nfs/dbraw/zinc/20/11/22/432201122.db2.gz WNLUBZWLHABIOS-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccncc2)C1 ZINC000247092813 432201127 /nfs/dbraw/zinc/20/11/27/432201127.db2.gz WNLUBZWLHABIOS-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000247092813 432201129 /nfs/dbraw/zinc/20/11/29/432201129.db2.gz WNLUBZWLHABIOS-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000247092813 432201134 /nfs/dbraw/zinc/20/11/34/432201134.db2.gz WNLUBZWLHABIOS-HKUYNNGSSA-N 2 1 301.478 3.211 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000247102547 432201473 /nfs/dbraw/zinc/20/14/73/432201473.db2.gz SMDBYFGSWHARBJ-IXDOHACOSA-N 2 1 320.477 3.235 20 0 DGADMP COC[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000247069745 432200687 /nfs/dbraw/zinc/20/06/87/432200687.db2.gz MXUVATFBMURIAR-BWPNAZKDSA-N 2 1 318.505 3.404 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000247224548 432212557 /nfs/dbraw/zinc/21/25/57/432212557.db2.gz XWEWNSPZZRZPSM-QRQLOZEOSA-N 2 1 309.542 3.207 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247146497 432206090 /nfs/dbraw/zinc/20/60/90/432206090.db2.gz SPLMWIYUYDYQJN-NEPJUHHUSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247146497 432206093 /nfs/dbraw/zinc/20/60/93/432206093.db2.gz SPLMWIYUYDYQJN-NEPJUHHUSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)[C@H](C)C1 ZINC000247144085 432206334 /nfs/dbraw/zinc/20/63/34/432206334.db2.gz RBIUPZIMIQDWFQ-KEYYUXOJSA-N 2 1 310.869 3.427 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000151195346 432228168 /nfs/dbraw/zinc/22/81/68/432228168.db2.gz OFNGPWWUTIJMOV-RHSMWYFYSA-N 2 1 301.434 3.238 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000151101035 432219346 /nfs/dbraw/zinc/21/93/46/432219346.db2.gz WROJVKIZOLLBFL-JKSUJKDBSA-N 2 1 320.477 3.395 20 0 DGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000151114471 432219455 /nfs/dbraw/zinc/21/94/55/432219455.db2.gz JPAKOXJERSTTPI-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000151114471 432219458 /nfs/dbraw/zinc/21/94/58/432219458.db2.gz JPAKOXJERSTTPI-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000151114471 432219463 /nfs/dbraw/zinc/21/94/63/432219463.db2.gz JPAKOXJERSTTPI-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191132025 432224605 /nfs/dbraw/zinc/22/46/05/432224605.db2.gz URIQTMNVYKCPSU-OAHLLOKOSA-N 2 1 306.498 3.473 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131595661 196183037 /nfs/dbraw/zinc/18/30/37/196183037.db2.gz HAQAQJLSDQZVJP-GRYCIOLGSA-N 2 1 302.340 3.315 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728735 196194868 /nfs/dbraw/zinc/19/48/68/196194868.db2.gz AZOUJSPSFSQORN-NEPJUHHUSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728735 196194869 /nfs/dbraw/zinc/19/48/69/196194869.db2.gz AZOUJSPSFSQORN-NEPJUHHUSA-N 2 1 305.809 3.164 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Br)cs1 ZINC000133305262 196329028 /nfs/dbraw/zinc/32/90/28/196329028.db2.gz HVDBGFZZVMOABK-GFCCVEGCSA-N 2 1 305.285 3.316 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000133305262 196329030 /nfs/dbraw/zinc/32/90/30/196329030.db2.gz HVDBGFZZVMOABK-GFCCVEGCSA-N 2 1 305.285 3.316 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cccnc2)cc1 ZINC000133505378 196330739 /nfs/dbraw/zinc/33/07/39/196330739.db2.gz DVGHMMCDVYTOIN-HNNXBMFYSA-N 2 1 306.413 3.469 20 0 DGADMP c1cn2c(n1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000296024377 225484760 /nfs/dbraw/zinc/48/47/60/225484760.db2.gz PRGYATLEKZVBSA-GOSISDBHSA-N 2 1 310.445 3.104 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290900178 222005096 /nfs/dbraw/zinc/00/50/96/222005096.db2.gz NWURIOQLTYJHFI-JTQLQIEISA-N 2 1 313.232 3.319 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C(F)F)c1 ZINC000291115036 222146954 /nfs/dbraw/zinc/14/69/54/222146954.db2.gz CKBWHIIRFOTNOT-UHFFFAOYSA-N 2 1 322.403 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000291214862 222229439 /nfs/dbraw/zinc/22/94/39/222229439.db2.gz RONCBRBZUSGGON-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000291214862 222229443 /nfs/dbraw/zinc/22/94/43/222229443.db2.gz RONCBRBZUSGGON-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000297592419 227341076 /nfs/dbraw/zinc/34/10/76/227341076.db2.gz JIMLBQXIAKNJOS-QGZVFWFLSA-N 2 1 308.853 3.244 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(C)(c3ccccc3)C2)CCCO1 ZINC000298144394 228380090 /nfs/dbraw/zinc/38/00/90/228380090.db2.gz QZMIVWVIQYTBLP-QHGAOEGBSA-N 2 1 316.489 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(C)(c3ccccc3)C2)CCCO1 ZINC000298144394 228380092 /nfs/dbraw/zinc/38/00/92/228380092.db2.gz QZMIVWVIQYTBLP-QHGAOEGBSA-N 2 1 316.489 3.197 20 0 DGADMP c1cnn([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)c1 ZINC000411742985 229827761 /nfs/dbraw/zinc/82/77/61/229827761.db2.gz HSDMFWLAYCFFMF-FQEVSTJZSA-N 2 1 324.472 3.316 20 0 DGADMP Cc1ccc([C@@H](CNc2cc[nH+]c(C)c2)[NH+]2CCOCC2)cc1 ZINC000302579394 230307345 /nfs/dbraw/zinc/30/73/45/230307345.db2.gz SACIOEMGEYBERA-LJQANCHMSA-N 2 1 311.429 3.184 20 0 DGADMP COCCCC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000346310763 264006850 /nfs/dbraw/zinc/00/68/50/264006850.db2.gz NSEIQRFFEARFTE-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP COCCCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000346310763 264006851 /nfs/dbraw/zinc/00/68/51/264006851.db2.gz NSEIQRFFEARFTE-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000346469350 264037751 /nfs/dbraw/zinc/03/77/51/264037751.db2.gz BALLBGIZFIOOQD-LPHOPBHVSA-N 2 1 302.462 3.117 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCC(C)C ZINC000346648944 264073182 /nfs/dbraw/zinc/07/31/82/264073182.db2.gz GEMBLYTUKMKCLY-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656697 264074714 /nfs/dbraw/zinc/07/47/14/264074714.db2.gz GXECVTWNSULRNB-GXSJLCMTSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656697 264074716 /nfs/dbraw/zinc/07/47/16/264074716.db2.gz GXECVTWNSULRNB-GXSJLCMTSA-N 2 1 304.768 3.111 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346662168 264075321 /nfs/dbraw/zinc/07/53/21/264075321.db2.gz WGUOPLGVWLMEFA-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000346668264 264076371 /nfs/dbraw/zinc/07/63/71/264076371.db2.gz IFKVEBBWATYPDX-AEFFLSMTSA-N 2 1 310.441 3.435 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346669903 264076469 /nfs/dbraw/zinc/07/64/69/264076469.db2.gz JEUOWWWVQRWTNA-KRWDZBQOSA-N 2 1 300.450 3.190 20 0 DGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC(C)(C)C[NH3+] ZINC000346682643 264079478 /nfs/dbraw/zinc/07/94/78/264079478.db2.gz OHNGHLRFLUWMMH-UHFFFAOYSA-N 2 1 304.356 3.044 20 0 DGADMP CCCOc1c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cccc1OCC ZINC000346692608 264080378 /nfs/dbraw/zinc/08/03/78/264080378.db2.gz HVJONAPCEOAWOS-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cccc1OCC ZINC000346692608 264080379 /nfs/dbraw/zinc/08/03/79/264080379.db2.gz HVJONAPCEOAWOS-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1OC(F)F ZINC000346828976 264104488 /nfs/dbraw/zinc/10/44/88/264104488.db2.gz OBEGLSQVHYAEFU-ARFHVFGLSA-N 2 1 324.415 3.464 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833817 264105621 /nfs/dbraw/zinc/10/56/21/264105621.db2.gz MPRIYBYEYFLJFT-ZIAGYGMSSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833817 264105624 /nfs/dbraw/zinc/10/56/24/264105624.db2.gz MPRIYBYEYFLJFT-ZIAGYGMSSA-N 2 1 307.869 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)C[C@@H]21 ZINC000346838859 264106572 /nfs/dbraw/zinc/10/65/72/264106572.db2.gz RTFKGMLTMOJIGF-HSALFYBXSA-N 2 1 307.441 3.308 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Oc1cccnc1 ZINC000346856394 264109710 /nfs/dbraw/zinc/10/97/10/264109710.db2.gz VZCRINDKJYDEGD-YTQUADARSA-N 2 1 323.440 3.351 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Oc1cccnc1 ZINC000346856392 264109759 /nfs/dbraw/zinc/10/97/59/264109759.db2.gz VZCRINDKJYDEGD-UHOSZYNNSA-N 2 1 323.440 3.351 20 0 DGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C2CCCCC2)n1 ZINC000346856851 264110114 /nfs/dbraw/zinc/11/01/14/264110114.db2.gz PSFKMSHILGBETR-CGTJXYLNSA-N 2 1 316.493 3.027 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@H]1CCC[NH2+]C1 ZINC000346859982 264110659 /nfs/dbraw/zinc/11/06/59/264110659.db2.gz ZPFJENVVQKAIGW-INIZCTEOSA-N 2 1 313.445 3.206 20 0 DGADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)cc1 ZINC000346885409 264115261 /nfs/dbraw/zinc/11/52/61/264115261.db2.gz RERDUODXFOFIEW-RDJZCZTQSA-N 2 1 302.462 3.189 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1cccc(Br)c1 ZINC000347014341 264139626 /nfs/dbraw/zinc/13/96/26/264139626.db2.gz WZEWGYVMTKQFDF-JMSVASOKSA-N 2 1 311.267 3.222 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1cccc(Br)c1 ZINC000347014341 264139630 /nfs/dbraw/zinc/13/96/30/264139630.db2.gz WZEWGYVMTKQFDF-JMSVASOKSA-N 2 1 311.267 3.222 20 0 DGADMP c1cc2c(c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)NCC2 ZINC000347011323 264140315 /nfs/dbraw/zinc/14/03/15/264140315.db2.gz UOTKPWSGFQSKAP-QFBILLFUSA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c1)NCC2 ZINC000347011323 264140316 /nfs/dbraw/zinc/14/03/16/264140316.db2.gz UOTKPWSGFQSKAP-QFBILLFUSA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1)NCC2 ZINC000347011323 264140318 /nfs/dbraw/zinc/14/03/18/264140318.db2.gz UOTKPWSGFQSKAP-QFBILLFUSA-N 2 1 311.473 3.103 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347034070 264144051 /nfs/dbraw/zinc/14/40/51/264144051.db2.gz CGECXGHCGBCWQQ-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347034070 264144054 /nfs/dbraw/zinc/14/40/54/264144054.db2.gz CGECXGHCGBCWQQ-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347055843 264148533 /nfs/dbraw/zinc/14/85/33/264148533.db2.gz UIIWEQYNIXLTHB-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347055843 264148537 /nfs/dbraw/zinc/14/85/37/264148537.db2.gz UIIWEQYNIXLTHB-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000347061407 264150029 /nfs/dbraw/zinc/15/00/29/264150029.db2.gz UOQFSLJCONFRTB-JCGIZDLHSA-N 2 1 324.896 3.048 20 0 DGADMP c1ccc(CSCC[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000347106056 264157535 /nfs/dbraw/zinc/15/75/35/264157535.db2.gz UGBMGVZANLSGJM-SFHVURJKSA-N 2 1 314.454 3.468 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000347109736 264158560 /nfs/dbraw/zinc/15/85/60/264158560.db2.gz PCJZRCADGWHSQK-UHFFFAOYSA-N 2 1 307.488 3.303 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2SCCc3ccccc32)[C@@H](C)C1 ZINC000347425201 264218685 /nfs/dbraw/zinc/21/86/85/264218685.db2.gz XXESFGBLBXSFMA-WBAXXEDZSA-N 2 1 304.503 3.337 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000347901620 264302499 /nfs/dbraw/zinc/30/24/99/264302499.db2.gz LILCVNPRVIRQMF-QFBILLFUSA-N 2 1 303.494 3.423 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000348084827 264336743 /nfs/dbraw/zinc/33/67/43/264336743.db2.gz SMDVWDHBGDXYRI-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000348084827 264336745 /nfs/dbraw/zinc/33/67/45/264336745.db2.gz SMDVWDHBGDXYRI-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000348084827 264336746 /nfs/dbraw/zinc/33/67/46/264336746.db2.gz SMDVWDHBGDXYRI-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP CCc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000348173373 264357648 /nfs/dbraw/zinc/35/76/48/264357648.db2.gz IZTILXUKLMSUSS-ICSRJNTNSA-N 2 1 324.472 3.164 20 0 DGADMP CCc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000348173373 264357650 /nfs/dbraw/zinc/35/76/50/264357650.db2.gz IZTILXUKLMSUSS-ICSRJNTNSA-N 2 1 324.472 3.164 20 0 DGADMP COCC[N@@H+](CCCc1cnccc1C)[C@H]1CCCSC1 ZINC000348361175 264397189 /nfs/dbraw/zinc/39/71/89/264397189.db2.gz RYQOGECYRJOZQM-KRWDZBQOSA-N 2 1 308.491 3.167 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348378702 264399578 /nfs/dbraw/zinc/39/95/78/264399578.db2.gz OGKHWQNXWJBFQG-ILXRZTDVSA-N 2 1 322.415 3.054 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccc(-n2cccn2)cc1)CC1CCCC1 ZINC000352477587 265064070 /nfs/dbraw/zinc/06/40/70/265064070.db2.gz NHQNZMWSXJKMQC-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc2)n1 ZINC000352503007 265071518 /nfs/dbraw/zinc/07/15/18/265071518.db2.gz AWSZVUVLPSQCNA-GOSISDBHSA-N 2 1 312.461 3.192 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000352609915 265103731 /nfs/dbraw/zinc/10/37/31/265103731.db2.gz XDIFDGUVMGCKLF-SFHVURJKSA-N 2 1 308.441 3.067 20 0 DGADMP CCS[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352758718 265154137 /nfs/dbraw/zinc/15/41/37/265154137.db2.gz HXFODQBXGARDDZ-QWHCGFSZSA-N 2 1 313.536 3.359 20 0 DGADMP Cc1ccc(N2CCC([NH2+]C3CC(OC(C)(C)C)C3)CC2)[nH+]c1 ZINC000352784424 265165994 /nfs/dbraw/zinc/16/59/94/265165994.db2.gz UHMJSDVZGNZEQF-UHFFFAOYSA-N 2 1 317.477 3.295 20 0 DGADMP CCSCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352816657 265178825 /nfs/dbraw/zinc/17/88/25/265178825.db2.gz PNABGBMRHKPTRD-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP CCSCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352816657 265178828 /nfs/dbraw/zinc/17/88/28/265178828.db2.gz PNABGBMRHKPTRD-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352819986 265181080 /nfs/dbraw/zinc/18/10/80/265181080.db2.gz BQRCRVNHWLXGRY-KGLIPLIRSA-N 2 1 316.367 3.373 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC(F)(F)CC1 ZINC000353247398 265360455 /nfs/dbraw/zinc/36/04/55/265360455.db2.gz ZDAGTGGUYHUKID-GOEBONIOSA-N 2 1 318.452 3.027 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000353332315 265391180 /nfs/dbraw/zinc/39/11/80/265391180.db2.gz PSXKSYPUEBZGAK-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000353332312 265392308 /nfs/dbraw/zinc/39/23/08/265392308.db2.gz PSXKSYPUEBZGAK-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000353579355 265475241 /nfs/dbraw/zinc/47/52/41/265475241.db2.gz USOPNCFQKNTDHL-NVXWUHKLSA-N 2 1 322.493 3.343 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000353579355 265475243 /nfs/dbraw/zinc/47/52/43/265475243.db2.gz USOPNCFQKNTDHL-NVXWUHKLSA-N 2 1 322.493 3.343 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221555 266005663 /nfs/dbraw/zinc/00/56/63/266005663.db2.gz MVEWBLDMRXCSIB-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221555 266005668 /nfs/dbraw/zinc/00/56/68/266005668.db2.gz MVEWBLDMRXCSIB-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221555 266005670 /nfs/dbraw/zinc/00/56/70/266005670.db2.gz MVEWBLDMRXCSIB-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221555 266005675 /nfs/dbraw/zinc/00/56/75/266005675.db2.gz MVEWBLDMRXCSIB-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)s1 ZINC000355360352 266049742 /nfs/dbraw/zinc/04/97/42/266049742.db2.gz DXKDAMJCUWFIBE-AWEZNQCLSA-N 2 1 318.490 3.455 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C)c2C)CC1)CC1CC1 ZINC000355900771 266223103 /nfs/dbraw/zinc/22/31/03/266223103.db2.gz KHZAQEMPZSCUOU-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000356175464 266308470 /nfs/dbraw/zinc/30/84/70/266308470.db2.gz LJQGUHFONJNELE-LBPRGKRZSA-N 2 1 309.816 3.452 20 0 DGADMP CC1(C)C[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1[C@H]1CCCO1 ZINC000356243148 266330864 /nfs/dbraw/zinc/33/08/64/266330864.db2.gz GQJSJMKREFQDRN-HZPDHXFCSA-N 2 1 317.458 3.323 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1C(C)(C)C ZINC000191189288 432232713 /nfs/dbraw/zinc/23/27/13/432232713.db2.gz FYOOLQUTTGGLQE-CABCVRRESA-N 2 1 306.498 3.329 20 0 DGADMP COC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000182825669 432234031 /nfs/dbraw/zinc/23/40/31/432234031.db2.gz TZLQFRSNVGHCFQ-SJCJKPOMSA-N 2 1 323.387 3.083 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccs1 ZINC000151372712 432240917 /nfs/dbraw/zinc/24/09/17/432240917.db2.gz XPDDQYWYMHZELQ-MRXNPFEDSA-N 2 1 310.507 3.272 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191267111 432242325 /nfs/dbraw/zinc/24/23/25/432242325.db2.gz YOSWFPKBHSLPRV-UHFFFAOYSA-N 2 1 312.461 3.036 20 0 DGADMP Cc1cccc(CCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000367950095 271102763 /nfs/dbraw/zinc/10/27/63/271102763.db2.gz JYBLJNMQHNKUFB-SLFFLAALSA-N 2 1 316.489 3.111 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000368137455 271142414 /nfs/dbraw/zinc/14/24/14/271142414.db2.gz ACTXSCCJWPAJJK-DYVFJYSZSA-N 2 1 308.491 3.214 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000368378860 271151257 /nfs/dbraw/zinc/15/12/57/271151257.db2.gz RWFTVZOQFQULNM-QBBMROGASA-N 2 1 320.481 3.114 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000368378860 271151262 /nfs/dbraw/zinc/15/12/62/271151262.db2.gz RWFTVZOQFQULNM-QBBMROGASA-N 2 1 320.481 3.114 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000368378859 271151986 /nfs/dbraw/zinc/15/19/86/271151986.db2.gz RWFTVZOQFQULNM-JCAIJIATSA-N 2 1 320.481 3.114 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000368378859 271151989 /nfs/dbraw/zinc/15/19/89/271151989.db2.gz RWFTVZOQFQULNM-JCAIJIATSA-N 2 1 320.481 3.114 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000369199058 271251222 /nfs/dbraw/zinc/25/12/22/271251222.db2.gz RWNFUPJQHHHHJH-GOSISDBHSA-N 2 1 321.534 3.301 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000369649099 271304451 /nfs/dbraw/zinc/30/44/51/271304451.db2.gz POGLWNWLSQCUCQ-XSYGEPLQSA-N 2 1 315.505 3.221 20 0 DGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000369722439 271313069 /nfs/dbraw/zinc/31/30/69/271313069.db2.gz RUCYBJGPGPBRJB-UHFFFAOYSA-N 2 1 318.509 3.025 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369722827 271313260 /nfs/dbraw/zinc/31/32/60/271313260.db2.gz UCHQEICUXWHVMC-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP COc1nc(C)cc(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370743612 271387571 /nfs/dbraw/zinc/38/75/71/271387571.db2.gz ZGTDPLWBCPCQNS-UHFFFAOYSA-N 2 1 317.477 3.015 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000247950107 432256078 /nfs/dbraw/zinc/25/60/78/432256078.db2.gz DYRRMHGIIKISKT-WBVHZDCISA-N 2 1 300.446 3.364 20 0 DGADMP CC[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]1 ZINC000422862999 273722182 /nfs/dbraw/zinc/72/21/82/273722182.db2.gz QWULUARQOAKQCV-ZBFHGGJFSA-N 2 1 323.868 3.097 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247958991 432257156 /nfs/dbraw/zinc/25/71/56/432257156.db2.gz FYLMHXSAEGCEMJ-LSTDLKDCSA-N 2 1 317.521 3.434 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C2 ZINC000453407030 274153354 /nfs/dbraw/zinc/15/33/54/274153354.db2.gz RRYTWEVPWSVYFL-INIZCTEOSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423132592 274306973 /nfs/dbraw/zinc/30/69/73/274306973.db2.gz JLHGFOIWHNDETL-YUELXQCFSA-N 2 1 300.368 3.310 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163369343 274340633 /nfs/dbraw/zinc/34/06/33/274340633.db2.gz DESHCZBFOIABPK-GZOSKZMVSA-N 2 1 321.896 3.237 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCC[NH2+]C1 ZINC000414914183 274450686 /nfs/dbraw/zinc/45/06/86/274450686.db2.gz XKZLXSTYWKOOOZ-CQSZACIVSA-N 2 1 304.331 3.324 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423031037 274521885 /nfs/dbraw/zinc/52/18/85/274521885.db2.gz CTGWFMVIPQSLPI-WBHUJUFNSA-N 2 1 315.392 3.204 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)[C@H](C)C1 ZINC000247974777 432259784 /nfs/dbraw/zinc/25/97/84/432259784.db2.gz HQWHIKASWQULCW-AYBZRNKSSA-N 2 1 319.468 3.114 20 0 DGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCC2 ZINC000423003111 274824607 /nfs/dbraw/zinc/82/46/07/274824607.db2.gz GZEUETMTUGSENN-IPMKNSEASA-N 2 1 324.472 3.152 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000422980631 275068291 /nfs/dbraw/zinc/06/82/91/275068291.db2.gz MCWBPEYBJANNFT-SFTDATJTSA-N 2 1 306.453 3.484 20 0 DGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCC2 ZINC000423432260 275372235 /nfs/dbraw/zinc/37/22/35/275372235.db2.gz OJFJSDNQDYTPBB-QXSJWSMHSA-N 2 1 321.262 3.024 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000191397786 432260283 /nfs/dbraw/zinc/26/02/83/432260283.db2.gz MTFRAXOZKKXRKB-UHFFFAOYSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[NH+]1CCCC1 ZINC000421820303 275700496 /nfs/dbraw/zinc/70/04/96/275700496.db2.gz LUVYDPZEXVGVLL-MJGOQNOKSA-N 2 1 301.478 3.039 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000261770366 276000503 /nfs/dbraw/zinc/00/05/03/276000503.db2.gz DQNCNQMZYLGROP-DLBZAZTESA-N 2 1 317.477 3.115 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000483195588 276100646 /nfs/dbraw/zinc/10/06/46/276100646.db2.gz BYXYJKLXLHGDCE-MSOLQXFVSA-N 2 1 304.478 3.489 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC000104142946 276110560 /nfs/dbraw/zinc/11/05/60/276110560.db2.gz SNDZJJJWDNFCHS-GOSISDBHSA-N 2 1 317.477 3.341 20 0 DGADMP CC1CCN([C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415078800 276199510 /nfs/dbraw/zinc/19/95/10/276199510.db2.gz HASMSPDZDDFOSH-IAGOWNOFSA-N 2 1 321.534 3.110 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423512897 276532833 /nfs/dbraw/zinc/53/28/33/276532833.db2.gz LEEZLXXQGMPMCC-SWLSCSKDSA-N 2 1 317.260 3.413 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000161525493 277031393 /nfs/dbraw/zinc/03/13/93/277031393.db2.gz SVRVYVDRKOFWQV-OAHLLOKOSA-N 2 1 314.351 3.256 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265811 277083679 /nfs/dbraw/zinc/08/36/79/277083679.db2.gz RJRMJHJNXZDRRB-SCLBCKFNSA-N 2 1 303.450 3.203 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414770031 278266179 /nfs/dbraw/zinc/26/61/79/278266179.db2.gz XKNGYPLSUQXQTF-XJKSGUPXSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000173346030 278344601 /nfs/dbraw/zinc/34/46/01/278344601.db2.gz SAHZHHQPYUFJIS-MRXNPFEDSA-N 2 1 318.505 3.482 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000453077394 288039003 /nfs/dbraw/zinc/03/90/03/288039003.db2.gz HACNVECFOPARJZ-JZXOWHBKSA-N 2 1 305.466 3.012 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000178479151 288073997 /nfs/dbraw/zinc/07/39/97/288073997.db2.gz VWFHTKFZYAEHKT-NXNVCVFFSA-N 2 1 318.461 3.227 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422817391 278869831 /nfs/dbraw/zinc/86/98/31/278869831.db2.gz HMXUBKUZROGPOY-CEXWTWQISA-N 3 1 307.526 3.007 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424327831 288101253 /nfs/dbraw/zinc/10/12/53/288101253.db2.gz PBPJWEXXKFPVON-ILXRZTDVSA-N 2 1 312.498 3.063 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153812999 288102190 /nfs/dbraw/zinc/10/21/90/288102190.db2.gz PUXFVDKOTKNICK-XIHRTOKZSA-N 2 1 316.489 3.473 20 0 DGADMP Cc1ncsc1C[N@@H+](CCC1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000435734939 279180611 /nfs/dbraw/zinc/18/06/11/279180611.db2.gz ZCUJGAHQGGNJEX-MRXNPFEDSA-N 2 1 307.507 3.443 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423034422 279256285 /nfs/dbraw/zinc/25/62/85/279256285.db2.gz PXCVPBRAGNAQCD-VBSBHUPXSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293738408 279258289 /nfs/dbraw/zinc/25/82/89/279258289.db2.gz NISGBENMGKFWOY-MWLCHTKSSA-N 2 1 317.296 3.428 20 0 DGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432407529 279272764 /nfs/dbraw/zinc/27/27/64/279272764.db2.gz MPEKPPGPETXRCT-SJORKVTESA-N 2 1 322.468 3.237 20 0 DGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432407529 279272765 /nfs/dbraw/zinc/27/27/65/279272765.db2.gz MPEKPPGPETXRCT-SJORKVTESA-N 2 1 322.468 3.237 20 0 DGADMP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000415078684 279463376 /nfs/dbraw/zinc/46/33/76/279463376.db2.gz GTGWVTSUCIBPQZ-BXUZGUMPSA-N 2 1 304.331 3.408 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000069707701 431213895 /nfs/dbraw/zinc/21/38/95/431213895.db2.gz DWFRZEITCASHHX-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000069723889 431215494 /nfs/dbraw/zinc/21/54/94/431215494.db2.gz YZHIZUUZGMOAEQ-JTQLQIEISA-N 2 1 303.269 3.071 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000070171158 431240745 /nfs/dbraw/zinc/24/07/45/431240745.db2.gz FPEQJFRHYNNNSZ-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000070171159 431242300 /nfs/dbraw/zinc/24/23/00/431242300.db2.gz FPEQJFRHYNNNSZ-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173801 431242342 /nfs/dbraw/zinc/24/23/42/431242342.db2.gz BPILZEJAGCFWSX-RYUDHWBXSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173801 431242349 /nfs/dbraw/zinc/24/23/49/431242349.db2.gz BPILZEJAGCFWSX-RYUDHWBXSA-N 2 1 317.260 3.431 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000113513577 431350484 /nfs/dbraw/zinc/35/04/84/431350484.db2.gz ZPAJKXOXMFTJHG-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2c(C)cccc2C)C1 ZINC000072858543 431356741 /nfs/dbraw/zinc/35/67/41/431356741.db2.gz TWHXXBPOYXUGPR-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC000072858543 431356747 /nfs/dbraw/zinc/35/67/47/431356747.db2.gz TWHXXBPOYXUGPR-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2c(C)cccc2C)C1 ZINC000072858543 431356757 /nfs/dbraw/zinc/35/67/57/431356757.db2.gz TWHXXBPOYXUGPR-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP C[C@@H]1CCN(CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000076120073 431528431 /nfs/dbraw/zinc/52/84/31/431528431.db2.gz GRGXXYSDEASTPB-LJQANCHMSA-N 2 1 315.505 3.069 20 0 DGADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)c1 ZINC000075834610 431499150 /nfs/dbraw/zinc/49/91/50/431499150.db2.gz CUAIEGRCIXJKLU-LJQANCHMSA-N 2 1 324.472 3.180 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000075834328 431499174 /nfs/dbraw/zinc/49/91/74/431499174.db2.gz MXFKCMXJRVVVBV-KRWDZBQOSA-N 2 1 317.477 3.015 20 0 DGADMP COCCCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000116879690 431534060 /nfs/dbraw/zinc/53/40/60/431534060.db2.gz CFOGDEWODYDXMQ-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP COCCCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000116879690 431534071 /nfs/dbraw/zinc/53/40/71/431534071.db2.gz CFOGDEWODYDXMQ-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000414169763 280188095 /nfs/dbraw/zinc/18/80/95/280188095.db2.gz BMEMBYGCTQMGHD-MAUKXSAKSA-N 2 1 318.461 3.246 20 0 DGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000430719480 280319007 /nfs/dbraw/zinc/31/90/07/280319007.db2.gz FLZDRKNJFJQNBE-QRVBRYPASA-N 2 1 309.542 3.209 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccn1CCC(C)C ZINC000119070286 431643541 /nfs/dbraw/zinc/64/35/41/431643541.db2.gz RORCWQSDIDSSHO-MRXNPFEDSA-N 2 1 302.466 3.465 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(CO)c1 ZINC000121094681 431742695 /nfs/dbraw/zinc/74/26/95/431742695.db2.gz QJONXEJGFYLFAU-QGZVFWFLSA-N 2 1 324.468 3.278 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(CO)c1 ZINC000121094681 431742700 /nfs/dbraw/zinc/74/27/00/431742700.db2.gz QJONXEJGFYLFAU-QGZVFWFLSA-N 2 1 324.468 3.278 20 0 DGADMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000121469459 431788335 /nfs/dbraw/zinc/78/83/35/431788335.db2.gz ZCKKNROVEQOZNW-INIZCTEOSA-N 2 1 304.478 3.444 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081630779 431794824 /nfs/dbraw/zinc/79/48/24/431794824.db2.gz ZATWZAGHFFRIFE-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081630779 431794828 /nfs/dbraw/zinc/79/48/28/431794828.db2.gz ZATWZAGHFFRIFE-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081630779 431794833 /nfs/dbraw/zinc/79/48/33/431794833.db2.gz ZATWZAGHFFRIFE-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081630779 431794837 /nfs/dbraw/zinc/79/48/37/431794837.db2.gz ZATWZAGHFFRIFE-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121691373 431803927 /nfs/dbraw/zinc/80/39/27/431803927.db2.gz IKLRCMORKQASGD-FHWLQOOXSA-N 2 1 314.473 3.186 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000121439989 431786821 /nfs/dbraw/zinc/78/68/21/431786821.db2.gz MAJIJCPWMBSHAC-QWHCGFSZSA-N 2 1 305.397 3.326 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CCOCC1 ZINC000123246969 431859218 /nfs/dbraw/zinc/85/92/18/431859218.db2.gz IBFGUPXLUISLGE-ZWKOTPCHSA-N 2 1 316.489 3.269 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000123318492 431861699 /nfs/dbraw/zinc/86/16/99/431861699.db2.gz BCKGQDXMLIIOHU-UHFFFAOYSA-N 2 1 317.433 3.488 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000125065808 431912817 /nfs/dbraw/zinc/91/28/17/431912817.db2.gz NPSKDTDDPQNOMG-XYJFISCASA-N 2 1 302.462 3.227 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CSCCS3)CC2)cc1 ZINC000125231739 431918127 /nfs/dbraw/zinc/91/81/27/431918127.db2.gz BARIIFXXJUDHNN-QGZVFWFLSA-N 2 1 322.543 3.089 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1C ZINC000090218951 431889983 /nfs/dbraw/zinc/88/99/83/431889983.db2.gz NQNSCAMQLWXELB-WNRNVDISSA-N 2 1 304.478 3.471 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000124342888 431890878 /nfs/dbraw/zinc/89/08/78/431890878.db2.gz WXZOQLIWBCJVRS-OAHLLOKOSA-N 2 1 323.550 3.289 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124366441 431891721 /nfs/dbraw/zinc/89/17/21/431891721.db2.gz RCRQIVUMZGBZNA-QWHCGFSZSA-N 2 1 310.388 3.423 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124366441 431891722 /nfs/dbraw/zinc/89/17/22/431891722.db2.gz RCRQIVUMZGBZNA-QWHCGFSZSA-N 2 1 310.388 3.423 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733011 431902296 /nfs/dbraw/zinc/90/22/96/431902296.db2.gz YRNJGLNNCHLKJD-CVEARBPZSA-N 2 1 308.491 3.213 20 0 DGADMP CC[C@@H](COC)[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000124726652 431902694 /nfs/dbraw/zinc/90/26/94/431902694.db2.gz ZCHJBTKEMWXSAP-GKMDZDJDSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000091469199 431904740 /nfs/dbraw/zinc/90/47/40/431904740.db2.gz LEQNPCNIMYXNME-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1Br ZINC000091469199 431904742 /nfs/dbraw/zinc/90/47/42/431904742.db2.gz LEQNPCNIMYXNME-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000124844629 431905880 /nfs/dbraw/zinc/90/58/80/431905880.db2.gz QKAKMYLMHQRYEJ-UHFFFAOYSA-N 2 1 311.429 3.177 20 0 DGADMP c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000127743329 431979682 /nfs/dbraw/zinc/97/96/82/431979682.db2.gz PUQBAYOUEAJJBL-ZCNNSNEGSA-N 2 1 313.489 3.040 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125617062 431931498 /nfs/dbraw/zinc/93/14/98/431931498.db2.gz NNGSEMDVHRKLCT-GFIVTLFCSA-N 2 1 319.468 3.113 20 0 DGADMP Cc1csc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000126219891 431945465 /nfs/dbraw/zinc/94/54/65/431945465.db2.gz TUIMXWAREQBLCD-CQSZACIVSA-N 2 1 319.474 3.243 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126775723 431957602 /nfs/dbraw/zinc/95/76/02/431957602.db2.gz RGWIQZCSVHZQDM-IXDOHACOSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775723 431957605 /nfs/dbraw/zinc/95/76/05/431957605.db2.gz RGWIQZCSVHZQDM-IXDOHACOSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775723 431957606 /nfs/dbraw/zinc/95/76/06/431957606.db2.gz RGWIQZCSVHZQDM-IXDOHACOSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126908552 431960349 /nfs/dbraw/zinc/96/03/49/431960349.db2.gz PTWANBZHMALZPN-HOTGVXAUSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000126908552 431960350 /nfs/dbraw/zinc/96/03/50/431960350.db2.gz PTWANBZHMALZPN-HOTGVXAUSA-N 2 1 322.518 3.365 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cncs3)CC2)[nH+]1 ZINC000128128304 431987810 /nfs/dbraw/zinc/98/78/10/431987810.db2.gz HFGGUWBIHGNQEL-CYBMUJFWSA-N 2 1 302.447 3.166 20 0 DGADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000423144843 281299239 /nfs/dbraw/zinc/29/92/39/281299239.db2.gz ZPRYJZZIJQLRCW-VAMGGRTRSA-N 2 1 322.452 3.381 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000191513519 432272163 /nfs/dbraw/zinc/27/21/63/432272163.db2.gz JTQZLOMWXWOXDJ-QGZVFWFLSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000191513519 432272168 /nfs/dbraw/zinc/27/21/68/432272168.db2.gz JTQZLOMWXWOXDJ-QGZVFWFLSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1scnc1C ZINC000191511527 432272811 /nfs/dbraw/zinc/27/28/11/432272811.db2.gz JHYWJJFWVNHEPB-UHFFFAOYSA-N 2 1 306.479 3.165 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1scnc1C ZINC000191511527 432272814 /nfs/dbraw/zinc/27/28/14/432272814.db2.gz JHYWJJFWVNHEPB-UHFFFAOYSA-N 2 1 306.479 3.165 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC)[C@H](C)C1 ZINC000248199392 432276153 /nfs/dbraw/zinc/27/61/53/432276153.db2.gz YCUJALOTCKCSJX-YLJYHZDGSA-N 2 1 318.505 3.476 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1(C)C ZINC000248411801 432287730 /nfs/dbraw/zinc/28/77/30/432287730.db2.gz ZRSCIWGZLPPAHG-UOVPBQLFSA-N 2 1 308.510 3.433 20 0 DGADMP O[C@@H](C[C@H]1CCCCC[N@H+]1CCn1ccnc1)c1ccccc1 ZINC000270881645 432298205 /nfs/dbraw/zinc/29/82/05/432298205.db2.gz NNVVPQKWQPCZAO-MOPGFXCFSA-N 2 1 313.445 3.251 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000247995871 432261997 /nfs/dbraw/zinc/26/19/97/432261997.db2.gz JVWGSOYTMUILGI-GOEBONIOSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000247995871 432262003 /nfs/dbraw/zinc/26/20/03/432262003.db2.gz JVWGSOYTMUILGI-GOEBONIOSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000247995871 432262009 /nfs/dbraw/zinc/26/20/09/432262009.db2.gz JVWGSOYTMUILGI-GOEBONIOSA-N 2 1 310.388 3.204 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]([NH2+]C[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000183125550 432262614 /nfs/dbraw/zinc/26/26/14/432262614.db2.gz OAVDYFDGAFKHSG-WCIQWLHISA-N 2 1 314.473 3.056 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000248041411 432263245 /nfs/dbraw/zinc/26/32/45/432263245.db2.gz TUVYBDHZJMMLBY-YSIASYRMSA-N 2 1 315.505 3.143 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000270597182 432263996 /nfs/dbraw/zinc/26/39/96/432263996.db2.gz GGDSAIUKADOFGP-FPTDNZKUSA-N 2 1 319.474 3.012 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000270597182 432264000 /nfs/dbraw/zinc/26/40/00/432264000.db2.gz GGDSAIUKADOFGP-FPTDNZKUSA-N 2 1 319.474 3.012 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)[C@@H](C)C1 ZINC000248039177 432264427 /nfs/dbraw/zinc/26/44/27/432264427.db2.gz SHQCENRJJPRZPC-UAGQMJEPSA-N 2 1 308.466 3.376 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)[C@@H](C)C1 ZINC000248039177 432264428 /nfs/dbraw/zinc/26/44/28/432264428.db2.gz SHQCENRJJPRZPC-UAGQMJEPSA-N 2 1 308.466 3.376 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183195681 432267174 /nfs/dbraw/zinc/26/71/74/432267174.db2.gz VOASQTQUCBZVJG-SQWLQELKSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183195681 432267176 /nfs/dbraw/zinc/26/71/76/432267176.db2.gz VOASQTQUCBZVJG-SQWLQELKSA-N 2 1 304.482 3.032 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000191453894 432267747 /nfs/dbraw/zinc/26/77/47/432267747.db2.gz UUUQJQGAXBYLBL-KRWDZBQOSA-N 2 1 321.484 3.235 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)cc1OC ZINC000270630095 432268094 /nfs/dbraw/zinc/26/80/94/432268094.db2.gz LLNXVLSZILNNNF-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)cc1OC ZINC000270630095 432268097 /nfs/dbraw/zinc/26/80/97/432268097.db2.gz LLNXVLSZILNNNF-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CCS2 ZINC000191484180 432268727 /nfs/dbraw/zinc/26/87/27/432268727.db2.gz JMFAJJAFCATZDG-OAHLLOKOSA-N 2 1 308.491 3.410 20 0 DGADMP C([C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1)[NH+]1CCCC1 ZINC000248819292 432320468 /nfs/dbraw/zinc/32/04/68/432320468.db2.gz IVXHVEDQBOOEAK-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823556 432320618 /nfs/dbraw/zinc/32/06/18/432320618.db2.gz FOMQSTNUXNVGCM-YEOLBDKBSA-N 2 1 314.473 3.099 20 0 DGADMP CN(Cc1cc(-c2cccs2)on1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152377572 432329467 /nfs/dbraw/zinc/32/94/67/432329467.db2.gz WQNVSSHMUHTVEC-CYBMUJFWSA-N 2 1 305.447 3.177 20 0 DGADMP CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000271152730 432339254 /nfs/dbraw/zinc/33/92/54/432339254.db2.gz LJJUOJPDWMUTPT-UHFFFAOYSA-N 2 1 314.477 3.121 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000174355093 432340210 /nfs/dbraw/zinc/34/02/10/432340210.db2.gz FECMRZYVSRINMH-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP FC(F)OCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249286223 432342692 /nfs/dbraw/zinc/34/26/92/432342692.db2.gz OFZNRJSFANXWQQ-GVDBMIGSSA-N 2 1 324.415 3.116 20 0 DGADMP Fc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000152104359 432305478 /nfs/dbraw/zinc/30/54/78/432305478.db2.gz BJDMJPMWKXYDBZ-INIZCTEOSA-N 2 1 308.416 3.458 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000152104359 432305482 /nfs/dbraw/zinc/30/54/82/432305482.db2.gz BJDMJPMWKXYDBZ-INIZCTEOSA-N 2 1 308.416 3.458 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152170290 432310194 /nfs/dbraw/zinc/31/01/94/432310194.db2.gz UFGQKCZTASLTCL-IUODEOHRSA-N 2 1 311.267 3.330 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H](C)CCC=C(C)C)C2)CC1 ZINC000248658897 432311930 /nfs/dbraw/zinc/31/19/30/432311930.db2.gz CASKSCUEHIKEQY-WOJBJXKFSA-N 2 1 321.553 3.471 20 0 DGADMP CC[C@@H](C[NH2+][C@@H]1CCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC000192438960 432373579 /nfs/dbraw/zinc/37/35/79/432373579.db2.gz MEGIDBQPEDJLCI-SJORKVTESA-N 2 1 302.462 3.017 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192442309 432375280 /nfs/dbraw/zinc/37/52/80/432375280.db2.gz WSBOVKZZVPRZRG-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192442309 432375283 /nfs/dbraw/zinc/37/52/83/432375283.db2.gz WSBOVKZZVPRZRG-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697381 432386731 /nfs/dbraw/zinc/38/67/31/432386731.db2.gz HAQAQJLSDQZVJP-IJLUTSLNSA-N 2 1 302.340 3.315 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@H]2CCCOC2)C3)cc1 ZINC000192708516 432403245 /nfs/dbraw/zinc/40/32/45/432403245.db2.gz DQSCUJUFICWLRN-XUBOLADHSA-N 2 1 314.473 3.198 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000271907248 432428341 /nfs/dbraw/zinc/42/83/41/432428341.db2.gz XCTKYULWHBFGQQ-INIZCTEOSA-N 2 1 306.837 3.405 20 0 DGADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935914 432430657 /nfs/dbraw/zinc/43/06/57/432430657.db2.gz CFSFFKFBOIJGTF-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622804 432435447 /nfs/dbraw/zinc/43/54/47/432435447.db2.gz DOJRBGMOKCLRPK-DOMZBBRYSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622804 432435450 /nfs/dbraw/zinc/43/54/50/432435450.db2.gz DOJRBGMOKCLRPK-DOMZBBRYSA-N 2 1 311.267 3.223 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000153763720 432441369 /nfs/dbraw/zinc/44/13/69/432441369.db2.gz TWOAXSIBYMWCLC-LBPRGKRZSA-N 2 1 302.821 3.098 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)[C@@H](C)C1 ZINC000271518966 432413496 /nfs/dbraw/zinc/41/34/96/432413496.db2.gz PHVRFXIYJWOXFQ-WDSOQIARSA-N 2 1 318.505 3.109 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000184678241 432419474 /nfs/dbraw/zinc/41/94/74/432419474.db2.gz KXRKIZZWUOHSLQ-UHFFFAOYSA-N 2 1 322.250 3.114 20 0 DGADMP CCC[C@](C)([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000262095456 432474091 /nfs/dbraw/zinc/47/40/91/432474091.db2.gz BOHVVBJHOYHFGA-APWZRJJASA-N 2 1 323.525 3.007 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000262123955 432475193 /nfs/dbraw/zinc/47/51/93/432475193.db2.gz KYAABBIISYJICQ-UHFFFAOYSA-N 2 1 316.474 3.027 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)CC[N@H+]1C ZINC000154185685 432479779 /nfs/dbraw/zinc/47/97/79/432479779.db2.gz ZVZNOSUYXWSDAH-MNOVXSKESA-N 2 1 317.296 3.125 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000154411580 432497489 /nfs/dbraw/zinc/49/74/89/432497489.db2.gz QXLWVTVHJWUVOE-UHFFFAOYSA-N 3 1 306.498 3.026 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000154479673 432500878 /nfs/dbraw/zinc/50/08/78/432500878.db2.gz PPUWYROCTOZTBP-RBUKOAKNSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H]([NH2+]CCc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272481394 432508358 /nfs/dbraw/zinc/50/83/58/432508358.db2.gz MFEYTEMUCDNSFZ-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH2+]CCc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272481391 432509422 /nfs/dbraw/zinc/50/94/22/432509422.db2.gz MFEYTEMUCDNSFZ-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP Clc1ccccc1O[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261918488 432460240 /nfs/dbraw/zinc/46/02/40/432460240.db2.gz KEAPCTYEYSDNEZ-HNNXBMFYSA-N 2 1 308.853 3.183 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCC(C)C ZINC000261913432 432460303 /nfs/dbraw/zinc/46/03/03/432460303.db2.gz XWPNFGPFRPMUCO-IBGZPJMESA-N 2 1 320.477 3.291 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCC(C)C ZINC000261913432 432460307 /nfs/dbraw/zinc/46/03/07/432460307.db2.gz XWPNFGPFRPMUCO-IBGZPJMESA-N 2 1 320.477 3.291 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254928 432461647 /nfs/dbraw/zinc/46/16/47/432461647.db2.gz MIDITJUCJIVTJT-GOSISDBHSA-N 2 1 316.489 3.218 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254928 432461652 /nfs/dbraw/zinc/46/16/52/432461652.db2.gz MIDITJUCJIVTJT-GOSISDBHSA-N 2 1 316.489 3.218 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254928 432461653 /nfs/dbraw/zinc/46/16/53/432461653.db2.gz MIDITJUCJIVTJT-GOSISDBHSA-N 2 1 316.489 3.218 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193292349 432462897 /nfs/dbraw/zinc/46/28/97/432462897.db2.gz UXRVPFPVOVSSDT-GOSISDBHSA-N 2 1 316.489 3.264 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261953897 432462925 /nfs/dbraw/zinc/46/29/25/432462925.db2.gz GHBXPHLZZIJDAU-OAQYLSRUSA-N 2 1 322.452 3.451 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261953897 432462930 /nfs/dbraw/zinc/46/29/30/432462930.db2.gz GHBXPHLZZIJDAU-OAQYLSRUSA-N 2 1 322.452 3.451 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018656 432465476 /nfs/dbraw/zinc/46/54/76/432465476.db2.gz KIOZIFARNIGLSH-XIRDDKMYSA-N 2 1 309.523 3.061 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272246812 432470647 /nfs/dbraw/zinc/47/06/47/432470647.db2.gz XKMJBZPAJPYSPV-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273135758 432556523 /nfs/dbraw/zinc/55/65/23/432556523.db2.gz CWLLQASCMJBZQN-JKSUJKDBSA-N 2 1 302.462 3.447 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000193982621 432513819 /nfs/dbraw/zinc/51/38/19/432513819.db2.gz LIUDBWVKFWSCHO-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000154858749 432525157 /nfs/dbraw/zinc/52/51/57/432525157.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000154858749 432525160 /nfs/dbraw/zinc/52/51/60/432525160.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000154858749 432525162 /nfs/dbraw/zinc/52/51/62/432525162.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000154858749 432525165 /nfs/dbraw/zinc/52/51/65/432525165.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000154858749 432525168 /nfs/dbraw/zinc/52/51/68/432525168.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000154858749 432525171 /nfs/dbraw/zinc/52/51/71/432525171.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000154858749 432525174 /nfs/dbraw/zinc/52/51/74/432525174.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000154858749 432525177 /nfs/dbraw/zinc/52/51/77/432525177.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000154858749 432525179 /nfs/dbraw/zinc/52/51/79/432525179.db2.gz QDFOYBHXTXRNMS-UWVAXJGDSA-N 2 1 317.521 3.345 20 0 DGADMP Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155116727 432538802 /nfs/dbraw/zinc/53/88/02/432538802.db2.gz FBUDPRQPAQRWCY-YJBOKZPZSA-N 2 1 313.445 3.122 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000156176354 432591329 /nfs/dbraw/zinc/59/13/29/432591329.db2.gz RYOMILYBWKPHLP-CRAIPNDOSA-N 2 1 302.462 3.295 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000156176354 432591332 /nfs/dbraw/zinc/59/13/32/432591332.db2.gz RYOMILYBWKPHLP-CRAIPNDOSA-N 2 1 302.462 3.295 20 0 DGADMP C[C@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396919 432591515 /nfs/dbraw/zinc/59/15/15/432591515.db2.gz UMQONUUTYKARMM-BBRMVZONSA-N 2 1 316.445 3.047 20 0 DGADMP C[C@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396919 432591519 /nfs/dbraw/zinc/59/15/19/432591519.db2.gz UMQONUUTYKARMM-BBRMVZONSA-N 2 1 316.445 3.047 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000186479632 432599397 /nfs/dbraw/zinc/59/93/97/432599397.db2.gz LFPNJPJVLRDJKJ-OAHLLOKOSA-N 2 1 313.445 3.384 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000195632329 432630816 /nfs/dbraw/zinc/63/08/16/432630816.db2.gz IPLUZJBFNCNZFS-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000195632329 432630819 /nfs/dbraw/zinc/63/08/19/432630819.db2.gz IPLUZJBFNCNZFS-KRWDZBQOSA-N 2 1 318.461 3.024 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)C2CC2)CC1 ZINC000158089016 432636831 /nfs/dbraw/zinc/63/68/31/432636831.db2.gz BJXKMJDARFODGP-INIZCTEOSA-N 2 1 301.478 3.059 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)CC[C@@H]21 ZINC000158483208 432645638 /nfs/dbraw/zinc/64/56/38/432645638.db2.gz JVWGSOYTMUILGI-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CC[C@@H]21 ZINC000158483208 432645642 /nfs/dbraw/zinc/64/56/42/432645642.db2.gz JVWGSOYTMUILGI-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CC[C@@H]21 ZINC000158483208 432645645 /nfs/dbraw/zinc/64/56/45/432645645.db2.gz JVWGSOYTMUILGI-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691325 432655855 /nfs/dbraw/zinc/65/58/55/432655855.db2.gz BFGZBMHTBAJWHO-KBPBESRZSA-N 2 1 317.458 3.319 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOCC2CC2)CC1 ZINC000158832334 432658668 /nfs/dbraw/zinc/65/86/68/432658668.db2.gz GNHNOWCMPIZFPU-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccoc3)CC2)oc1C ZINC000178106348 432694342 /nfs/dbraw/zinc/69/43/42/432694342.db2.gz HLCXNDWWAISQOM-CQSZACIVSA-N 2 1 317.433 3.447 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178234235 432710682 /nfs/dbraw/zinc/71/06/82/432710682.db2.gz KQONPPUXASUEBN-JKSUJKDBSA-N 2 1 310.507 3.365 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178234235 432710685 /nfs/dbraw/zinc/71/06/85/432710685.db2.gz KQONPPUXASUEBN-JKSUJKDBSA-N 2 1 310.507 3.365 20 0 DGADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274845706 432714798 /nfs/dbraw/zinc/71/47/98/432714798.db2.gz PTMBVWKODTZEGZ-PXNSSMCTSA-N 2 1 309.457 3.390 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000274840543 432714875 /nfs/dbraw/zinc/71/48/75/432714875.db2.gz WACJTRFPZYCFFY-UHFFFAOYSA-N 2 1 323.440 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)cs3)C[C@H]21 ZINC000228473520 432719034 /nfs/dbraw/zinc/71/90/34/432719034.db2.gz RKCOWNYZJNJNDV-OASPWFOLSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@H]21 ZINC000228473520 432719039 /nfs/dbraw/zinc/71/90/39/432719039.db2.gz RKCOWNYZJNJNDV-OASPWFOLSA-N 2 1 315.280 3.070 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccoc3)CC2)nc(C)[nH+]1 ZINC000178322761 432720873 /nfs/dbraw/zinc/72/08/73/432720873.db2.gz QEDIKKVZPAKQRV-ZDUSSCGKSA-N 2 1 300.406 3.006 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccsc3)CC2)nc(C)[nH+]1 ZINC000178322451 432721014 /nfs/dbraw/zinc/72/10/14/432721014.db2.gz MWBZOCLRECUTIV-ZDUSSCGKSA-N 2 1 316.474 3.475 20 0 DGADMP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159201680 432675171 /nfs/dbraw/zinc/67/51/71/432675171.db2.gz DNBUOONSCNMEGN-MRXNPFEDSA-N 2 1 320.477 3.237 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000275770548 432747295 /nfs/dbraw/zinc/74/72/95/432747295.db2.gz UXEBIHLLPOQUKH-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000178633542 432761046 /nfs/dbraw/zinc/76/10/46/432761046.db2.gz VCMRRKQJNYVNFD-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000178633542 432761050 /nfs/dbraw/zinc/76/10/50/432761050.db2.gz VCMRRKQJNYVNFD-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000178633542 432761053 /nfs/dbraw/zinc/76/10/53/432761053.db2.gz VCMRRKQJNYVNFD-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236822768 432765578 /nfs/dbraw/zinc/76/55/78/432765578.db2.gz HVBQEPRWJPLDKZ-CRAIPNDOSA-N 2 1 317.477 3.375 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000178697859 432767662 /nfs/dbraw/zinc/76/76/62/432767662.db2.gz ZDOYARIPFKGHDK-GUYCJALGSA-N 2 1 317.408 3.470 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696536 432767761 /nfs/dbraw/zinc/76/77/61/432767761.db2.gz JFGSNPUBDOHBJJ-HUUCEWRRSA-N 2 1 301.434 3.057 20 0 DGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178700619 432768297 /nfs/dbraw/zinc/76/82/97/432768297.db2.gz YFMXSHKVQTXBMB-GJZGRUSLSA-N 2 1 301.434 3.495 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000178696560 432768538 /nfs/dbraw/zinc/76/85/38/432768538.db2.gz BXLKNNXYTJNEMT-KBPBESRZSA-N 2 1 317.433 3.196 20 0 DGADMP C[N@@H+](CCN[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000237171760 432779426 /nfs/dbraw/zinc/77/94/26/432779426.db2.gz NQZBWWCZRRUQFV-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000237171760 432779432 /nfs/dbraw/zinc/77/94/32/432779432.db2.gz NQZBWWCZRRUQFV-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000237171760 432779435 /nfs/dbraw/zinc/77/94/35/432779435.db2.gz NQZBWWCZRRUQFV-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296298 432730639 /nfs/dbraw/zinc/73/06/39/432730639.db2.gz BDWWFFPZHHBWOF-AAEUAGOBSA-N 2 1 314.260 3.305 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178392356 432730660 /nfs/dbraw/zinc/73/06/60/432730660.db2.gz GCZMGSBHDXPQPV-NSHDSACASA-N 2 1 302.340 3.330 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2)CC[N@H+]1C ZINC000178424479 432733319 /nfs/dbraw/zinc/73/33/19/432733319.db2.gz GCGAYMBYCBAING-IUODEOHRSA-N 2 1 311.267 3.064 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000178440534 432736916 /nfs/dbraw/zinc/73/69/16/432736916.db2.gz NJKSPVDWWSGHCX-UHFFFAOYSA-N 2 1 300.431 3.323 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000178440534 432736918 /nfs/dbraw/zinc/73/69/18/432736918.db2.gz NJKSPVDWWSGHCX-UHFFFAOYSA-N 2 1 300.431 3.323 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000178439871 432737296 /nfs/dbraw/zinc/73/72/96/432737296.db2.gz YZGPXHYGSTWRMS-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000178439871 432737298 /nfs/dbraw/zinc/73/72/98/432737298.db2.gz YZGPXHYGSTWRMS-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275661377 432738456 /nfs/dbraw/zinc/73/84/56/432738456.db2.gz GCNHFOZXAGDIIC-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2Br)CC[NH2+]1 ZINC000235365902 432742045 /nfs/dbraw/zinc/74/20/45/432742045.db2.gz GKEDHSOVJHUUHC-CHWSQXEVSA-N 2 1 311.267 3.269 20 0 DGADMP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000178479184 432742075 /nfs/dbraw/zinc/74/20/75/432742075.db2.gz VWFHTKFZYAEHKT-DIECFANBSA-N 2 1 318.461 3.227 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000162247711 432817472 /nfs/dbraw/zinc/81/74/72/432817472.db2.gz FVUSIEGEEZZZJH-OAHLLOKOSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000162247711 432817477 /nfs/dbraw/zinc/81/74/77/432817477.db2.gz FVUSIEGEEZZZJH-OAHLLOKOSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000162247711 432817478 /nfs/dbraw/zinc/81/74/78/432817478.db2.gz FVUSIEGEEZZZJH-OAHLLOKOSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3[C@@H](C)CCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000162283020 432819390 /nfs/dbraw/zinc/81/93/90/432819390.db2.gz KWDXRMRGVPFWTH-KBPBESRZSA-N 2 1 316.493 3.477 20 0 DGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1OC(F)F ZINC000276611464 432823754 /nfs/dbraw/zinc/82/37/54/432823754.db2.gz GVCAGPYTPYGGLU-AWEZNQCLSA-N 2 1 309.360 3.305 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000245464942 432834706 /nfs/dbraw/zinc/83/47/06/432834706.db2.gz PYUZCSBGBDXCPH-WBVHZDCISA-N 2 1 322.518 3.296 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000266757677 432784847 /nfs/dbraw/zinc/78/48/47/432784847.db2.gz SALRXSDEFYAJAE-KRWDZBQOSA-N 2 1 310.869 3.180 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000266757677 432784851 /nfs/dbraw/zinc/78/48/51/432784851.db2.gz SALRXSDEFYAJAE-KRWDZBQOSA-N 2 1 310.869 3.180 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000237363196 432784974 /nfs/dbraw/zinc/78/49/74/432784974.db2.gz KCCPFRUGPOHRQH-HNNXBMFYSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000237363196 432784980 /nfs/dbraw/zinc/78/49/80/432784980.db2.gz KCCPFRUGPOHRQH-HNNXBMFYSA-N 2 1 318.461 3.200 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000161526019 432785209 /nfs/dbraw/zinc/78/52/09/432785209.db2.gz COHNVWMSDWRTBT-LNLFQRSKSA-N 2 1 304.478 3.472 20 0 DGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000266828279 432791932 /nfs/dbraw/zinc/79/19/32/432791932.db2.gz DHSANYCAJQVFIZ-QGZVFWFLSA-N 2 1 310.869 3.228 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277570742 432861780 /nfs/dbraw/zinc/86/17/80/432861780.db2.gz SOLBSRXDJTUYRA-SFHVURJKSA-N 2 1 312.461 3.301 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277570742 432861782 /nfs/dbraw/zinc/86/17/82/432861782.db2.gz SOLBSRXDJTUYRA-SFHVURJKSA-N 2 1 312.461 3.301 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3o2)CCCO1 ZINC000277817348 432877065 /nfs/dbraw/zinc/87/70/65/432877065.db2.gz KXMRQLWFQYSKHH-HNNXBMFYSA-N 2 1 302.418 3.023 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3o2)CCCO1 ZINC000277817348 432877067 /nfs/dbraw/zinc/87/70/67/432877067.db2.gz KXMRQLWFQYSKHH-HNNXBMFYSA-N 2 1 302.418 3.023 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c(F)c2)CCCO1 ZINC000277997891 432880433 /nfs/dbraw/zinc/88/04/33/432880433.db2.gz UYXGIBRQGMNRBR-ZDUSSCGKSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(F)c2)CCCO1 ZINC000277997891 432880434 /nfs/dbraw/zinc/88/04/34/432880434.db2.gz UYXGIBRQGMNRBR-ZDUSSCGKSA-N 2 1 314.832 3.070 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278073190 432883121 /nfs/dbraw/zinc/88/31/21/432883121.db2.gz ZKPBPRONNOEMFV-MSOLQXFVSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278073190 432883122 /nfs/dbraw/zinc/88/31/22/432883122.db2.gz ZKPBPRONNOEMFV-MSOLQXFVSA-N 2 1 304.478 3.017 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278399151 432893307 /nfs/dbraw/zinc/89/33/07/432893307.db2.gz FLAMNLOQPLOLDL-XLSIIYIISA-N 2 1 314.473 3.197 20 0 DGADMP Cc1nc2c(s1)[C@H]([N@H+](C)CCCn1cc[nH+]c1C)CCC2 ZINC000162986642 432839917 /nfs/dbraw/zinc/83/99/17/432839917.db2.gz VMFVSDZEWTXTRE-OAHLLOKOSA-N 2 1 304.463 3.356 20 0 DGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CCCn1cc[nH+]c1C)CCC2 ZINC000162986642 432839919 /nfs/dbraw/zinc/83/99/19/432839919.db2.gz VMFVSDZEWTXTRE-OAHLLOKOSA-N 2 1 304.463 3.356 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596280 432847649 /nfs/dbraw/zinc/84/76/49/432847649.db2.gz HOZPEUKGCUURLC-RDJZCZTQSA-N 2 1 316.445 3.079 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596280 432847651 /nfs/dbraw/zinc/84/76/51/432847651.db2.gz HOZPEUKGCUURLC-RDJZCZTQSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596280 432847653 /nfs/dbraw/zinc/84/76/53/432847653.db2.gz HOZPEUKGCUURLC-RDJZCZTQSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000245596280 432847658 /nfs/dbraw/zinc/84/76/58/432847658.db2.gz HOZPEUKGCUURLC-RDJZCZTQSA-N 2 1 316.445 3.079 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263069 432848303 /nfs/dbraw/zinc/84/83/03/432848303.db2.gz AQUYEKSNSKVHNO-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263069 432848306 /nfs/dbraw/zinc/84/83/06/432848306.db2.gz AQUYEKSNSKVHNO-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP COCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245676095 432853949 /nfs/dbraw/zinc/85/39/49/432853949.db2.gz ICAKQYXMRHUJRD-OQIJWPOYSA-N 2 1 302.462 3.197 20 0 DGADMP COCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245676102 432854729 /nfs/dbraw/zinc/85/47/29/432854729.db2.gz ICAKQYXMRHUJRD-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)[C@H]1c1cccs1 ZINC000245687699 432855248 /nfs/dbraw/zinc/85/52/48/432855248.db2.gz NQAXOAZEHRFMDH-RDJZCZTQSA-N 2 1 306.475 3.067 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)[C@H]1c1cccs1 ZINC000245687699 432855250 /nfs/dbraw/zinc/85/52/50/432855250.db2.gz NQAXOAZEHRFMDH-RDJZCZTQSA-N 2 1 306.475 3.067 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CSC[C@H]2C)cc1F ZINC000296559907 432922537 /nfs/dbraw/zinc/92/25/37/432922537.db2.gz VCRCHLHZCOLKDU-IAQYHMDHSA-N 2 1 305.422 3.161 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000289102736 432922690 /nfs/dbraw/zinc/92/26/90/432922690.db2.gz CHQNAAKRGBQFFQ-KRWDZBQOSA-N 2 1 318.436 3.428 20 0 DGADMP CSC1(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000289173880 432930185 /nfs/dbraw/zinc/93/01/85/432930185.db2.gz FKNAHFATIUXYCG-UHFFFAOYSA-N 2 1 304.503 3.445 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205286 432933687 /nfs/dbraw/zinc/93/36/87/432933687.db2.gz IBADXPFIHHUWKA-PQPFEFOTSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205286 432933690 /nfs/dbraw/zinc/93/36/90/432933690.db2.gz IBADXPFIHHUWKA-PQPFEFOTSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205286 432933692 /nfs/dbraw/zinc/93/36/92/432933692.db2.gz IBADXPFIHHUWKA-PQPFEFOTSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205286 432933696 /nfs/dbraw/zinc/93/36/96/432933696.db2.gz IBADXPFIHHUWKA-PQPFEFOTSA-N 2 1 306.400 3.394 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000289307747 432942911 /nfs/dbraw/zinc/94/29/11/432942911.db2.gz STJBFDZLDHWUKO-LRDDRELGSA-N 2 1 317.408 3.252 20 0 DGADMP CCC(=O)CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296334896 432897163 /nfs/dbraw/zinc/89/71/63/432897163.db2.gz POTQXQMRBIDHNK-UHFFFAOYSA-N 2 1 317.477 3.379 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CC2)CCCO1 ZINC000278633930 432898004 /nfs/dbraw/zinc/89/80/04/432898004.db2.gz SAHLYMYRCLWWJD-QFBILLFUSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCSC2)C3)cc1 ZINC000278795684 432901782 /nfs/dbraw/zinc/90/17/82/432901782.db2.gz QTVLPLLEUWTPRT-XLAORIBOSA-N 2 1 302.487 3.277 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3ccccc3)C2)CCCO1 ZINC000278797796 432901878 /nfs/dbraw/zinc/90/18/78/432901878.db2.gz YZQOAVSGRXXQME-IVMQYODDSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccccc3)C2)CCCO1 ZINC000278797796 432901880 /nfs/dbraw/zinc/90/18/80/432901880.db2.gz YZQOAVSGRXXQME-IVMQYODDSA-N 2 1 302.462 3.023 20 0 DGADMP COc1ncc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000296442734 432908779 /nfs/dbraw/zinc/90/87/79/432908779.db2.gz MJKZPLPKURQVGD-NDNKKMJESA-N 2 1 309.841 3.019 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000296442734 432908782 /nfs/dbraw/zinc/90/87/82/432908782.db2.gz MJKZPLPKURQVGD-NDNKKMJESA-N 2 1 309.841 3.019 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)F)c1 ZINC000278884986 432912937 /nfs/dbraw/zinc/91/29/37/432912937.db2.gz DBBIJECKUGROKT-STQMWFEESA-N 2 1 321.371 3.398 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(=O)OC)cc1 ZINC000296508473 432916504 /nfs/dbraw/zinc/91/65/04/432916504.db2.gz PKWQYYNVAQEKSQ-FBVQUNGASA-N 2 1 316.445 3.139 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000296514595 432917550 /nfs/dbraw/zinc/91/75/50/432917550.db2.gz PQJLBLBXFPTSSQ-OKYOBFRVSA-N 2 1 314.473 3.054 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289085571 432920228 /nfs/dbraw/zinc/92/02/28/432920228.db2.gz BEJQTVFNQPFLPQ-FXAWDEMLSA-N 2 1 315.505 3.242 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000289090946 432921181 /nfs/dbraw/zinc/92/11/81/432921181.db2.gz UMUWYBNLOFKOSA-VQTJNVASSA-N 2 1 321.424 3.256 20 0 DGADMP Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000278947796 432921338 /nfs/dbraw/zinc/92/13/38/432921338.db2.gz LABMSGHNYGAVOX-PKOBYXMFSA-N 2 1 309.457 3.365 20 0 DGADMP Cc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000349496680 432967942 /nfs/dbraw/zinc/96/79/42/432967942.db2.gz LHXNOIMJRAZXEP-KXBFYZLASA-N 2 1 319.493 3.045 20 0 DGADMP C[C@H]1C[C@@H](NCc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239775 432979226 /nfs/dbraw/zinc/97/92/26/432979226.db2.gz ILOVMAPUMBMYGW-KBPBESRZSA-N 3 1 318.852 3.098 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CCN1C ZINC000297239775 432979231 /nfs/dbraw/zinc/97/92/31/432979231.db2.gz ILOVMAPUMBMYGW-KBPBESRZSA-N 2 1 318.852 3.098 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000341178679 432985025 /nfs/dbraw/zinc/98/50/25/432985025.db2.gz WHGRWQOVXIIOKP-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP CCn1nc(C[NH2+]CCCCn2cc[nH+]c2C)c2ccccc21 ZINC000349704636 432995158 /nfs/dbraw/zinc/99/51/58/432995158.db2.gz SHYBNGYWZDRDSI-UHFFFAOYSA-N 2 1 311.433 3.131 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331723186 432959831 /nfs/dbraw/zinc/95/98/31/432959831.db2.gz UZGSIRPNVLPCBN-QAPCUYQASA-N 2 1 315.461 3.209 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331725141 432960292 /nfs/dbraw/zinc/96/02/92/432960292.db2.gz WPNDZMOPBYEHHE-QGPMSJSTSA-N 2 1 315.461 3.147 20 0 DGADMP OC1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290155866 433004385 /nfs/dbraw/zinc/00/43/85/433004385.db2.gz LQFNBNFBHBQGPJ-XEVCZEQESA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290195020 433010489 /nfs/dbraw/zinc/01/04/89/433010489.db2.gz OQXXDSYGQHRYHU-FFZOFVMBSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000297754470 433013622 /nfs/dbraw/zinc/01/36/22/433013622.db2.gz ULSVXTPDCHYJQP-SFHVURJKSA-N 2 1 313.489 3.180 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000349817873 433014962 /nfs/dbraw/zinc/01/49/62/433014962.db2.gz CMCNMJISPGDIJT-UHFFFAOYSA-N 2 1 316.449 3.283 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000349817873 433014967 /nfs/dbraw/zinc/01/49/67/433014967.db2.gz CMCNMJISPGDIJT-UHFFFAOYSA-N 2 1 316.449 3.283 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250256 433020009 /nfs/dbraw/zinc/02/00/09/433020009.db2.gz UENNFNDQIBBYMU-WSTZPKSXSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290250256 433020012 /nfs/dbraw/zinc/02/00/12/433020012.db2.gz UENNFNDQIBBYMU-WSTZPKSXSA-N 3 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250256 433020015 /nfs/dbraw/zinc/02/00/15/433020015.db2.gz UENNFNDQIBBYMU-WSTZPKSXSA-N 3 1 317.521 3.215 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000290312254 433030642 /nfs/dbraw/zinc/03/06/42/433030642.db2.gz CGNBHKLZKKYUSQ-UHFFFAOYSA-N 2 1 323.387 3.358 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000290312254 433030645 /nfs/dbraw/zinc/03/06/45/433030645.db2.gz CGNBHKLZKKYUSQ-UHFFFAOYSA-N 2 1 323.387 3.358 20 0 DGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290342379 433034258 /nfs/dbraw/zinc/03/42/58/433034258.db2.gz FNJBZPUIMCJDBU-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290342379 433034261 /nfs/dbraw/zinc/03/42/61/433034261.db2.gz FNJBZPUIMCJDBU-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000290342379 433034265 /nfs/dbraw/zinc/03/42/65/433034265.db2.gz FNJBZPUIMCJDBU-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000290342379 433034267 /nfs/dbraw/zinc/03/42/67/433034267.db2.gz FNJBZPUIMCJDBU-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCC[N@@H+](CCc1cncn1C)[C@@H](C)c1ccccc1OC ZINC000297980988 433038413 /nfs/dbraw/zinc/03/84/13/433038413.db2.gz XZIQTEUMXOAREZ-HNNXBMFYSA-N 2 1 301.434 3.444 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1OC ZINC000290419799 433048605 /nfs/dbraw/zinc/04/86/05/433048605.db2.gz KOUSOAHYYNNDTQ-YJBOKZPZSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290419799 433048610 /nfs/dbraw/zinc/04/86/10/433048610.db2.gz KOUSOAHYYNNDTQ-YJBOKZPZSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290419799 433048613 /nfs/dbraw/zinc/04/86/13/433048613.db2.gz KOUSOAHYYNNDTQ-YJBOKZPZSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000290419799 433048620 /nfs/dbraw/zinc/04/86/20/433048620.db2.gz KOUSOAHYYNNDTQ-YJBOKZPZSA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000350012957 433051382 /nfs/dbraw/zinc/05/13/82/433051382.db2.gz SMHOHAVWBYGHFK-UHFFFAOYSA-N 2 1 320.477 3.148 20 0 DGADMP CCOCc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000350012957 433051386 /nfs/dbraw/zinc/05/13/86/433051386.db2.gz SMHOHAVWBYGHFK-UHFFFAOYSA-N 2 1 320.477 3.148 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2c1OCO2 ZINC000290416233 433047466 /nfs/dbraw/zinc/04/74/66/433047466.db2.gz KJANCJZTUHXKRL-UHFFFAOYSA-N 2 1 315.417 3.086 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2c1OCO2 ZINC000290416233 433047473 /nfs/dbraw/zinc/04/74/73/433047473.db2.gz KJANCJZTUHXKRL-UHFFFAOYSA-N 2 1 315.417 3.086 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000290484695 433062325 /nfs/dbraw/zinc/06/23/25/433062325.db2.gz OFZFNLXWNNXRGV-SFHVURJKSA-N 2 1 324.472 3.240 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290536025 433083293 /nfs/dbraw/zinc/08/32/93/433083293.db2.gz QZQSIKONFMXGBX-UHFFFAOYSA-N 2 1 317.481 3.282 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290536025 433083299 /nfs/dbraw/zinc/08/32/99/433083299.db2.gz QZQSIKONFMXGBX-UHFFFAOYSA-N 2 1 317.481 3.282 20 0 DGADMP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354452326 433093571 /nfs/dbraw/zinc/09/35/71/433093571.db2.gz HLHUTQXUQKQJMK-GFCCVEGCSA-N 2 1 320.462 3.133 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cc2c1 ZINC000290652826 433130839 /nfs/dbraw/zinc/13/08/39/433130839.db2.gz ZEEBDZHYECRLRP-KBXCAEBGSA-N 2 1 314.429 3.358 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc2c1 ZINC000290652867 433131261 /nfs/dbraw/zinc/13/12/61/433131261.db2.gz ZEEBDZHYECRLRP-RDTXWAMCSA-N 2 1 314.429 3.358 20 0 DGADMP c1cc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000420295963 433148362 /nfs/dbraw/zinc/14/83/62/433148362.db2.gz CSXBPGIAEZTLOG-MRXNPFEDSA-N 2 1 314.473 3.366 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000453393861 433149189 /nfs/dbraw/zinc/14/91/89/433149189.db2.gz GNXMQFKQQFYWKV-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000420299532 433151232 /nfs/dbraw/zinc/15/12/32/433151232.db2.gz GUHSPNCYJNSNSC-INIZCTEOSA-N 2 1 315.461 3.111 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1N(C)C ZINC000453397871 433152380 /nfs/dbraw/zinc/15/23/80/433152380.db2.gz KDDHDTWKSQTIJA-AWEZNQCLSA-N 2 1 307.457 3.417 20 0 DGADMP c1ccc(C[N@H+](CCCc2ccncc2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420302227 433152691 /nfs/dbraw/zinc/15/26/91/433152691.db2.gz BMVYFFQJURKXAQ-HXUWFJFHSA-N 2 1 324.472 3.054 20 0 DGADMP CC(C)CC[C@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000361316585 433102784 /nfs/dbraw/zinc/10/27/84/433102784.db2.gz RJVTZZLCVCBPFJ-FQEVSTJZSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361316585 433102795 /nfs/dbraw/zinc/10/27/95/433102795.db2.gz RJVTZZLCVCBPFJ-FQEVSTJZSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361316585 433102802 /nfs/dbraw/zinc/10/28/02/433102802.db2.gz RJVTZZLCVCBPFJ-FQEVSTJZSA-N 2 1 318.505 3.380 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000373139115 433103680 /nfs/dbraw/zinc/10/36/80/433103680.db2.gz KARRXQOSZBPKTF-QZTJIDSGSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000373139115 433103685 /nfs/dbraw/zinc/10/36/85/433103685.db2.gz KARRXQOSZBPKTF-QZTJIDSGSA-N 2 1 305.466 3.110 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1C ZINC000290585420 433105718 /nfs/dbraw/zinc/10/57/18/433105718.db2.gz UXFPZBPVWKQVEE-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCCc2ccccc2)cc1 ZINC000420303564 433153865 /nfs/dbraw/zinc/15/38/65/433153865.db2.gz KRMLAZVPFOZOGE-IBGZPJMESA-N 2 1 312.457 3.302 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361348333 433119548 /nfs/dbraw/zinc/11/95/48/433119548.db2.gz JMZBITDAOBRTBV-VQIMIIECSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000361348333 433119558 /nfs/dbraw/zinc/11/95/58/433119558.db2.gz JMZBITDAOBRTBV-VQIMIIECSA-N 2 1 302.462 3.056 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000361347579 433120297 /nfs/dbraw/zinc/12/02/97/433120297.db2.gz WJMNAAGNHHLSPY-APWZRJJASA-N 2 1 316.489 3.091 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000361343856 433120962 /nfs/dbraw/zinc/12/09/62/433120962.db2.gz MOUNUNSRZSNJHQ-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000361343856 433120970 /nfs/dbraw/zinc/12/09/70/433120970.db2.gz MOUNUNSRZSNJHQ-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP Cn1ccnc1C[N@@H+](CCCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000420302196 433154932 /nfs/dbraw/zinc/15/49/32/433154932.db2.gz BKHRTQHEGAXFAE-MRXNPFEDSA-N 2 1 318.509 3.191 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1O ZINC000290747933 433155811 /nfs/dbraw/zinc/15/58/11/433155811.db2.gz QOESUMUDHIOWLC-ZDUSSCGKSA-N 2 1 306.450 3.314 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000420305320 433156960 /nfs/dbraw/zinc/15/69/60/433156960.db2.gz PKMJRYSWNCUWQV-KRWDZBQOSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@H](c2cccs2)C1 ZINC000453401647 433157281 /nfs/dbraw/zinc/15/72/81/433157281.db2.gz ZFTCYXDJHJAAIL-OWYFMNJBSA-N 2 1 308.491 3.287 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000420318238 433159137 /nfs/dbraw/zinc/15/91/37/433159137.db2.gz ODRZTJGDSDDOKN-OAHLLOKOSA-N 2 1 320.383 3.148 20 0 DGADMP Cc1nc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)sc1C ZINC000420315689 433160875 /nfs/dbraw/zinc/16/08/75/433160875.db2.gz LCSXJUPLIPSKEO-HZPDHXFCSA-N 2 1 307.507 3.329 20 0 DGADMP c1csc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420315977 433161899 /nfs/dbraw/zinc/16/18/99/433161899.db2.gz MBCROZPZVADNKY-HOTGVXAUSA-N 2 1 308.491 3.119 20 0 DGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420313654 433162323 /nfs/dbraw/zinc/16/23/23/433162323.db2.gz YIIMXMPVDLODQI-XYJFISCASA-N 2 1 322.518 3.344 20 0 DGADMP c1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000420318736 433162582 /nfs/dbraw/zinc/16/25/82/433162582.db2.gz ORLHCZDSAAIMIG-MJGOQNOKSA-N 2 1 302.462 3.057 20 0 DGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)n1C ZINC000425324266 433163811 /nfs/dbraw/zinc/16/38/11/433163811.db2.gz KFBJWDBYLVUFQN-MRXNPFEDSA-N 2 1 318.852 3.477 20 0 DGADMP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420325746 433165411 /nfs/dbraw/zinc/16/54/11/433165411.db2.gz DFVIUOQMMZXSQI-UHFFFAOYSA-N 2 1 316.836 3.027 20 0 DGADMP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420325746 433165415 /nfs/dbraw/zinc/16/54/15/433165415.db2.gz DFVIUOQMMZXSQI-UHFFFAOYSA-N 2 1 316.836 3.027 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000420325067 433166427 /nfs/dbraw/zinc/16/64/27/433166427.db2.gz WCLVOZXXVBFQFC-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1OC(F)(F)F ZINC000420324597 433166452 /nfs/dbraw/zinc/16/64/52/433166452.db2.gz VTQGMIMOXKQJKI-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP Clc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331582 433167754 /nfs/dbraw/zinc/16/77/54/433167754.db2.gz QZHRPYCTUYHVIB-NWDGAFQWSA-N 2 1 314.260 3.210 20 0 DGADMP Clc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331582 433167761 /nfs/dbraw/zinc/16/77/61/433167761.db2.gz QZHRPYCTUYHVIB-NWDGAFQWSA-N 2 1 314.260 3.210 20 0 DGADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000354588363 433167968 /nfs/dbraw/zinc/16/79/68/433167968.db2.gz WHQQZBRAEOJELC-UHFFFAOYSA-N 2 1 320.477 3.206 20 0 DGADMP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338302 433170254 /nfs/dbraw/zinc/17/02/54/433170254.db2.gz XSYCSCZQPKKEGG-KGLIPLIRSA-N 2 1 310.844 3.343 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)nc2C)C[C@H]1C ZINC000447177295 433170712 /nfs/dbraw/zinc/17/07/12/433170712.db2.gz NCEXOHJCIIIENU-HIFRSBDPSA-N 2 1 304.438 3.035 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000453420425 433170799 /nfs/dbraw/zinc/17/07/99/433170799.db2.gz KJEIUUDABWWZRL-UHFFFAOYSA-N 2 1 323.484 3.229 20 0 DGADMP Clc1cccc(O[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000420354293 433174814 /nfs/dbraw/zinc/17/48/14/433174814.db2.gz CUWLQLRWFJMOTM-KRWDZBQOSA-N 2 1 308.853 3.183 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697976 433179935 /nfs/dbraw/zinc/17/99/35/433179935.db2.gz JAYZNCXQUZVHDL-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697976 433179943 /nfs/dbraw/zinc/17/99/43/433179943.db2.gz JAYZNCXQUZVHDL-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697976 433179951 /nfs/dbraw/zinc/17/99/51/433179951.db2.gz JAYZNCXQUZVHDL-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336697976 433179959 /nfs/dbraw/zinc/17/99/59/433179959.db2.gz JAYZNCXQUZVHDL-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361459937 433181855 /nfs/dbraw/zinc/18/18/55/433181855.db2.gz OMPPKSYWVJNZBZ-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361459937 433181866 /nfs/dbraw/zinc/18/18/66/433181866.db2.gz OMPPKSYWVJNZBZ-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP CSc1ccc(OCC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369694 433184242 /nfs/dbraw/zinc/18/42/42/433184242.db2.gz OKCMAALFZMRICL-QGZVFWFLSA-N 2 1 308.491 3.285 20 0 DGADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336722315 433188930 /nfs/dbraw/zinc/18/89/30/433188930.db2.gz VSAPBQMCLYYALR-PMACEKPBSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336722315 433188939 /nfs/dbraw/zinc/18/89/39/433188939.db2.gz VSAPBQMCLYYALR-PMACEKPBSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336722315 433188945 /nfs/dbraw/zinc/18/89/45/433188945.db2.gz VSAPBQMCLYYALR-PMACEKPBSA-N 2 1 316.489 3.255 20 0 DGADMP c1ccc2cc(OCC[NH2+]C3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000298589847 433190264 /nfs/dbraw/zinc/19/02/64/433190264.db2.gz YKWVMYLRNWHYBX-UHFFFAOYSA-N 2 1 310.441 3.435 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000420400487 433197985 /nfs/dbraw/zinc/19/79/85/433197985.db2.gz INSKGPUONSZBKR-OCCSQVGLSA-N 2 1 320.383 3.367 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420396642 433198802 /nfs/dbraw/zinc/19/88/02/433198802.db2.gz MBJOSRWAULIGGU-LPHOPBHVSA-N 2 1 311.429 3.306 20 0 DGADMP c1c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420396642 433198806 /nfs/dbraw/zinc/19/88/06/433198806.db2.gz MBJOSRWAULIGGU-LPHOPBHVSA-N 2 1 311.429 3.306 20 0 DGADMP Cc1cc(F)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000425378183 433212097 /nfs/dbraw/zinc/21/20/97/433212097.db2.gz IWZZFOPLAFXOOV-HNNXBMFYSA-N 2 1 308.416 3.437 20 0 DGADMP C[C@@H]1CCc2nc(C[NH2+]CCCC[N@@H+](C)C3CC3)sc2C1 ZINC000453591483 433217634 /nfs/dbraw/zinc/21/76/34/433217634.db2.gz CHFOGGOXEBWYLY-CYBMUJFWSA-N 2 1 307.507 3.232 20 0 DGADMP Cc1cc(Br)c(C[NH2+]CCn2cc[nH+]c2C)s1 ZINC000453590481 433218962 /nfs/dbraw/zinc/21/89/62/433218962.db2.gz OLVHCUGHWPWUSI-UHFFFAOYSA-N 2 1 314.252 3.114 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cnc(-c2ccco2)s1)C1CC1 ZINC000453598076 433226232 /nfs/dbraw/zinc/22/62/32/433226232.db2.gz PDUPSFACLBNLSM-UHFFFAOYSA-N 2 1 305.447 3.367 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000453602566 433231203 /nfs/dbraw/zinc/23/12/03/433231203.db2.gz WWXSKUTXXJLVGO-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP COc1ccc2oc(C[NH2+]CCCC[N@@H+](C)C3CC3)cc2c1 ZINC000453599456 433231776 /nfs/dbraw/zinc/23/17/76/433231776.db2.gz RHQPPTWFSKBJQG-UHFFFAOYSA-N 2 1 302.418 3.405 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)o1 ZINC000447581042 433234540 /nfs/dbraw/zinc/23/45/40/433234540.db2.gz RVSSDSWATWWXJC-ZOCIIQOWSA-N 2 1 320.477 3.315 20 0 DGADMP C[C@H](O)CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354724498 433239139 /nfs/dbraw/zinc/23/91/39/433239139.db2.gz DGXBWKMNTUSNOV-SFHVURJKSA-N 2 1 316.489 3.136 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](OC)C2CC2)CC1)CC1CC1 ZINC000425451789 433247772 /nfs/dbraw/zinc/24/77/72/433247772.db2.gz CAXXIWKQANQOPJ-IBGZPJMESA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H](C(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338040830 433271278 /nfs/dbraw/zinc/27/12/78/433271278.db2.gz SMCPNYOECJARAB-BBWFWOEESA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338040830 433271287 /nfs/dbraw/zinc/27/12/87/433271287.db2.gz SMCPNYOECJARAB-BBWFWOEESA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338040830 433271294 /nfs/dbraw/zinc/27/12/94/433271294.db2.gz SMCPNYOECJARAB-BBWFWOEESA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000350801480 433287491 /nfs/dbraw/zinc/28/74/91/433287491.db2.gz JVLHEDMPRXPGOF-GQGLESIBSA-N 2 1 322.493 3.103 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000354823935 433296696 /nfs/dbraw/zinc/29/66/96/433296696.db2.gz YUBHOKYDQLRYQV-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420899096 433298373 /nfs/dbraw/zinc/29/83/73/433298373.db2.gz GHQLQIIGSDCSJU-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP CC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420899096 433298386 /nfs/dbraw/zinc/29/83/86/433298386.db2.gz GHQLQIIGSDCSJU-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP Cc1sccc1CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000350829944 433299125 /nfs/dbraw/zinc/29/91/25/433299125.db2.gz KDUWKGXGUPYYSK-IYBDPMFKSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1sccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000350829944 433299133 /nfs/dbraw/zinc/29/91/33/433299133.db2.gz KDUWKGXGUPYYSK-IYBDPMFKSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1sccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000350829944 433299143 /nfs/dbraw/zinc/29/91/43/433299143.db2.gz KDUWKGXGUPYYSK-IYBDPMFKSA-N 2 1 321.534 3.047 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900575 433304972 /nfs/dbraw/zinc/30/49/72/433304972.db2.gz JKJWQNFEEIIAAV-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900575 433304984 /nfs/dbraw/zinc/30/49/84/433304984.db2.gz JKJWQNFEEIIAAV-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341844623 433312658 /nfs/dbraw/zinc/31/26/58/433312658.db2.gz CDYACWUDBMCLIR-AWEZNQCLSA-N 2 1 314.433 3.071 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000420961302 433349572 /nfs/dbraw/zinc/34/95/72/433349572.db2.gz JBCILUBWXLKJJD-UHFFFAOYSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC000420961302 433349575 /nfs/dbraw/zinc/34/95/75/433349575.db2.gz JBCILUBWXLKJJD-UHFFFAOYSA-N 2 1 314.473 3.283 20 0 DGADMP CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)CC1CCC1 ZINC000420965063 433357479 /nfs/dbraw/zinc/35/74/79/433357479.db2.gz OUTNGKOUJOQBOK-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000420965063 433357488 /nfs/dbraw/zinc/35/74/88/433357488.db2.gz OUTNGKOUJOQBOK-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000420965063 433357493 /nfs/dbraw/zinc/35/74/93/433357493.db2.gz OUTNGKOUJOQBOK-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000361762765 433376658 /nfs/dbraw/zinc/37/66/58/433376658.db2.gz CJIANVIUSHJFEW-CBZIJGRNSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000361762765 433376671 /nfs/dbraw/zinc/37/66/71/433376671.db2.gz CJIANVIUSHJFEW-CBZIJGRNSA-N 3 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000361762765 433376680 /nfs/dbraw/zinc/37/66/80/433376680.db2.gz CJIANVIUSHJFEW-CBZIJGRNSA-N 3 1 321.534 3.061 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000281626198 433329410 /nfs/dbraw/zinc/32/94/10/433329410.db2.gz CQWRRWPFHPWCPL-HOTGVXAUSA-N 2 1 311.473 3.345 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000341885467 433335222 /nfs/dbraw/zinc/33/52/22/433335222.db2.gz AOTBKQJCGVVANA-ULQDDVLXSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000341885467 433335233 /nfs/dbraw/zinc/33/52/33/433335233.db2.gz AOTBKQJCGVVANA-ULQDDVLXSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361671665 433335380 /nfs/dbraw/zinc/33/53/80/433335380.db2.gz VCRHGLOMGOWQLN-GMBSWORKSA-N 2 1 302.462 3.045 20 0 DGADMP Cc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000354878766 433338027 /nfs/dbraw/zinc/33/80/27/433338027.db2.gz JXCYGLMADURYPQ-UHFFFAOYSA-N 2 1 310.445 3.133 20 0 DGADMP C[N@@H+](CCC(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354884807 433339950 /nfs/dbraw/zinc/33/99/50/433339950.db2.gz YURWEAHZVKFJEH-UHFFFAOYSA-N 2 1 301.356 3.182 20 0 DGADMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000339067798 433342602 /nfs/dbraw/zinc/34/26/02/433342602.db2.gz IQLSWRZKZOUNKH-HLIPFELVSA-N 2 1 314.473 3.228 20 0 DGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000339067799 433343069 /nfs/dbraw/zinc/34/30/69/433343069.db2.gz IQLSWRZKZOUNKH-QKLQHJQFSA-N 2 1 314.473 3.228 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339067970 433343282 /nfs/dbraw/zinc/34/32/82/433343282.db2.gz OSAQYNPEDKNYIO-JYJNAYRXSA-N 2 1 318.461 3.290 20 0 DGADMP Cc1ncccc1Cc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000351228194 433425337 /nfs/dbraw/zinc/42/53/37/433425337.db2.gz GGAWLBBHQASKGT-SCRDCRAPSA-N 2 1 300.406 3.298 20 0 DGADMP Cc1ncccc1Cc1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000351228194 433425348 /nfs/dbraw/zinc/42/53/48/433425348.db2.gz GGAWLBBHQASKGT-SCRDCRAPSA-N 2 1 300.406 3.298 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000355039200 433431472 /nfs/dbraw/zinc/43/14/72/433431472.db2.gz MCNLHZDNDGAYHR-UHFFFAOYSA-N 2 1 320.864 3.335 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000355039200 433431476 /nfs/dbraw/zinc/43/14/76/433431476.db2.gz MCNLHZDNDGAYHR-UHFFFAOYSA-N 2 1 320.864 3.335 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C2 ZINC000425930006 433379378 /nfs/dbraw/zinc/37/93/78/433379378.db2.gz WBXQUEXOZGEVPB-BQFCYCMXSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000425930006 433379391 /nfs/dbraw/zinc/37/93/91/433379391.db2.gz WBXQUEXOZGEVPB-BQFCYCMXSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+](C)C ZINC000425943854 433381701 /nfs/dbraw/zinc/38/17/01/433381701.db2.gz KEZCNGGMSXDRTH-RISCZKNCSA-N 2 1 315.383 3.265 20 0 DGADMP Cc1cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000301065335 433397903 /nfs/dbraw/zinc/39/79/03/433397903.db2.gz CXFSGWBMOQIIEU-GFCCVEGCSA-N 2 1 302.447 3.014 20 0 DGADMP Cc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000301065335 433397912 /nfs/dbraw/zinc/39/79/12/433397912.db2.gz CXFSGWBMOQIIEU-GFCCVEGCSA-N 2 1 302.447 3.014 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000339175881 433415696 /nfs/dbraw/zinc/41/56/96/433415696.db2.gz WPRAMBBCWMIVNZ-NVXWUHKLSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000339175885 433417982 /nfs/dbraw/zinc/41/79/82/433417982.db2.gz WPRAMBBCWMIVNZ-WBVHZDCISA-N 2 1 322.493 3.105 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000355030240 433423136 /nfs/dbraw/zinc/42/31/36/433423136.db2.gz KTXOXJYZQLCHMJ-MSOLQXFVSA-N 2 1 315.505 3.156 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000339185235 433424476 /nfs/dbraw/zinc/42/44/76/433424476.db2.gz LEEQWBJNRLDIPD-IAGOWNOFSA-N 2 1 321.465 3.073 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000361878495 433434256 /nfs/dbraw/zinc/43/42/56/433434256.db2.gz BGEBKNIHBOWZNL-GHTZIAJQSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000361878495 433434269 /nfs/dbraw/zinc/43/42/69/433434269.db2.gz BGEBKNIHBOWZNL-GHTZIAJQSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000361878496 433434792 /nfs/dbraw/zinc/43/47/92/433434792.db2.gz BGEBKNIHBOWZNL-NQIIRXRSSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000361878496 433434798 /nfs/dbraw/zinc/43/47/98/433434798.db2.gz BGEBKNIHBOWZNL-NQIIRXRSSA-N 2 1 324.468 3.283 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414209485 433461918 /nfs/dbraw/zinc/46/19/18/433461918.db2.gz MQKOYNLFIMSEMU-WAPOTWQKSA-N 2 1 314.473 3.054 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414169623 433438950 /nfs/dbraw/zinc/43/89/50/433438950.db2.gz BDVRLPMEKXANDY-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055389 433444061 /nfs/dbraw/zinc/44/40/61/433444061.db2.gz BXJVRJPDDNUDQL-SFHVURJKSA-N 2 1 315.848 3.416 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414183015 433445132 /nfs/dbraw/zinc/44/51/32/433445132.db2.gz NLXBREOEJIVGHJ-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cn(C)nc1C ZINC000361923087 433452254 /nfs/dbraw/zinc/45/22/54/433452254.db2.gz KEOCRBGTTDOQIZ-ZVZYQTTQSA-N 2 1 306.498 3.280 20 0 DGADMP COCC[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414193007 433453251 /nfs/dbraw/zinc/45/32/51/433453251.db2.gz IBPLKOXJNMZHFQ-MRXNPFEDSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)c1ccc(CN(C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000351292909 433457568 /nfs/dbraw/zinc/45/75/68/433457568.db2.gz VTVKJWUZFAQHFW-HXUWFJFHSA-N 2 1 316.489 3.230 20 0 DGADMP CC(C)c1ccc(C[N@H+](C[C@H](O)CN(C)C2CC2)C2CC2)cc1 ZINC000351292909 433457576 /nfs/dbraw/zinc/45/75/76/433457576.db2.gz VTVKJWUZFAQHFW-HXUWFJFHSA-N 2 1 316.489 3.230 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C[C@H](O)CN(C)C2CC2)C2CC2)cc1 ZINC000351292909 433457584 /nfs/dbraw/zinc/45/75/84/433457584.db2.gz VTVKJWUZFAQHFW-HXUWFJFHSA-N 2 1 316.489 3.230 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000342125347 433485103 /nfs/dbraw/zinc/48/51/03/433485103.db2.gz DOWYRBWIVUDRMU-HNNXBMFYSA-N 2 1 323.440 3.471 20 0 DGADMP Cc1ccc(CCC[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000351336737 433479606 /nfs/dbraw/zinc/47/96/06/433479606.db2.gz ZVJJKHARXKQNJA-UHFFFAOYSA-N 2 1 324.472 3.285 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375510729 433482337 /nfs/dbraw/zinc/48/23/37/433482337.db2.gz YZCIBOKWKXVWDL-INIZCTEOSA-N 2 1 302.462 3.359 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC000355138075 433483941 /nfs/dbraw/zinc/48/39/41/433483941.db2.gz SBBPSRJVWNJBQY-IRXDYDNUSA-N 2 1 301.478 3.059 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000292226158 433513692 /nfs/dbraw/zinc/51/36/92/433513692.db2.gz QUGOHARFLUYKRC-VQIMIIECSA-N 2 1 318.436 3.145 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3cccc4ccccc43)C[C@@H]12 ZINC000351479586 433521919 /nfs/dbraw/zinc/52/19/19/433521919.db2.gz SBZXYFMHRCJLHC-BHIYHBOVSA-N 2 1 310.441 3.278 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@H]12 ZINC000351474469 433524122 /nfs/dbraw/zinc/52/41/22/433524122.db2.gz GDDUYCNSCUVMDI-UHOFOFEASA-N 2 1 301.821 3.057 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C3CC3)c2)CCCO1 ZINC000421378199 433524764 /nfs/dbraw/zinc/52/47/64/433524764.db2.gz GLXHSKOHQRFYNW-INIZCTEOSA-N 2 1 302.462 3.155 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](O)C(C)C ZINC000414299906 433524846 /nfs/dbraw/zinc/52/48/46/433524846.db2.gz RONQYSWKQCJBKZ-VQTJNVASSA-N 2 1 318.505 3.079 20 0 DGADMP CCc1cc(NC[C@H](c2cccc(OC)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000301374310 433524991 /nfs/dbraw/zinc/52/49/91/433524991.db2.gz WTRYQKMPKJJGML-QGZVFWFLSA-N 2 1 314.433 3.071 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCSc3ccccc3Cl)C[C@H]12 ZINC000351488839 433526715 /nfs/dbraw/zinc/52/67/15/433526715.db2.gz GGDJIQBKWGGAAJ-VNHYZAJKSA-N 2 1 310.894 3.491 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2CC2(C)C)CC1 ZINC000426559006 433531367 /nfs/dbraw/zinc/53/13/67/433531367.db2.gz IEFCQTALXRCMLO-SFHVURJKSA-N 2 1 301.478 3.059 20 0 DGADMP CC[N@H+](CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1)C(C)C ZINC000426417874 433490567 /nfs/dbraw/zinc/49/05/67/433490567.db2.gz UOJASHZXGVIMLV-OAHLLOKOSA-N 2 1 308.466 3.042 20 0 DGADMP CC[N@@H+](CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1)C(C)C ZINC000426417874 433490578 /nfs/dbraw/zinc/49/05/78/433490578.db2.gz UOJASHZXGVIMLV-OAHLLOKOSA-N 2 1 308.466 3.042 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342135857 433490999 /nfs/dbraw/zinc/49/09/99/433490999.db2.gz QKCYMTHTVARKKO-AEGPPILISA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342135857 433491010 /nfs/dbraw/zinc/49/10/10/433491010.db2.gz QKCYMTHTVARKKO-AEGPPILISA-N 2 1 317.458 3.271 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@@H]1n1ccnc1 ZINC000375615382 433507059 /nfs/dbraw/zinc/50/70/59/433507059.db2.gz WPKXRXKBCQYWRJ-AEFFLSMTSA-N 2 1 305.466 3.363 20 0 DGADMP C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@H]1n1ccnc1 ZINC000375615383 433507116 /nfs/dbraw/zinc/50/71/16/433507116.db2.gz WPKXRXKBCQYWRJ-FUHWJXTLSA-N 2 1 305.466 3.363 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H](C)C1 ZINC000414338253 433550759 /nfs/dbraw/zinc/55/07/59/433550759.db2.gz KBEBNDRAIZTXOD-XIVBQZFQSA-N 2 1 302.462 3.119 20 0 DGADMP Cc1cc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000301433157 433554653 /nfs/dbraw/zinc/55/46/53/433554653.db2.gz KYIATVLCGAQRMX-GOSISDBHSA-N 2 1 310.445 3.194 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414339721 433555198 /nfs/dbraw/zinc/55/51/98/433555198.db2.gz LXDKAGSYHHLXMT-BMFAXAFESA-N 2 1 300.446 3.015 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764338 433556541 /nfs/dbraw/zinc/55/65/41/433556541.db2.gz PURSDHDMOWOOBU-UFRUDQCGSA-N 2 1 324.472 3.238 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375764338 433556550 /nfs/dbraw/zinc/55/65/50/433556550.db2.gz PURSDHDMOWOOBU-UFRUDQCGSA-N 2 1 324.472 3.238 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375764338 433556559 /nfs/dbraw/zinc/55/65/59/433556559.db2.gz PURSDHDMOWOOBU-UFRUDQCGSA-N 2 1 324.472 3.238 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 ZINC000414346587 433558957 /nfs/dbraw/zinc/55/89/57/433558957.db2.gz MHPPGPQJZBLWGW-CQSZACIVSA-N 2 1 317.452 3.322 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456276759 433569654 /nfs/dbraw/zinc/56/96/54/433569654.db2.gz OBEZDIBYYMPKDE-IYOUNJFTSA-N 2 1 315.461 3.047 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000339428147 433574226 /nfs/dbraw/zinc/57/42/26/433574226.db2.gz MZVYIKRTVDKUFR-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428147 433574235 /nfs/dbraw/zinc/57/42/35/433574235.db2.gz MZVYIKRTVDKUFR-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428147 433574243 /nfs/dbraw/zinc/57/42/43/433574243.db2.gz MZVYIKRTVDKUFR-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428147 433574250 /nfs/dbraw/zinc/57/42/50/433574250.db2.gz MZVYIKRTVDKUFR-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428147 433574258 /nfs/dbraw/zinc/57/42/58/433574258.db2.gz MZVYIKRTVDKUFR-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282366404 433579736 /nfs/dbraw/zinc/57/97/36/433579736.db2.gz IBBZZKBXYINASL-BHIYHBOVSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282366404 433579748 /nfs/dbraw/zinc/57/97/48/433579748.db2.gz IBBZZKBXYINASL-BHIYHBOVSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000375840406 433584632 /nfs/dbraw/zinc/58/46/32/433584632.db2.gz PFSMMGZXBIXQSR-PMPSAXMXSA-N 2 1 310.388 3.250 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571658 433587974 /nfs/dbraw/zinc/58/79/74/433587974.db2.gz AKUMFYRBCXCTHW-MSOLQXFVSA-N 2 1 322.468 3.348 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571658 433587982 /nfs/dbraw/zinc/58/79/82/433587982.db2.gz AKUMFYRBCXCTHW-MSOLQXFVSA-N 2 1 322.468 3.348 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571661 433588320 /nfs/dbraw/zinc/58/83/20/433588320.db2.gz AKUMFYRBCXCTHW-ZWKOTPCHSA-N 2 1 322.468 3.348 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571661 433588326 /nfs/dbraw/zinc/58/83/26/433588326.db2.gz AKUMFYRBCXCTHW-ZWKOTPCHSA-N 2 1 322.468 3.348 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577095 433593222 /nfs/dbraw/zinc/59/32/22/433593222.db2.gz ZDNQGDCYWBUKKG-RTBURBONSA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577095 433593234 /nfs/dbraw/zinc/59/32/34/433593234.db2.gz ZDNQGDCYWBUKKG-RTBURBONSA-N 2 1 320.452 3.102 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCOC1 ZINC000162155699 292847866 /nfs/dbraw/zinc/84/78/66/292847866.db2.gz AUHFRCKTBQBKAD-ICSRJNTNSA-N 2 1 316.489 3.364 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCOC1 ZINC000162155434 292847997 /nfs/dbraw/zinc/84/79/97/292847997.db2.gz AUHFRCKTBQBKAD-QUCCMNQESA-N 2 1 316.489 3.364 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000293153429 433635818 /nfs/dbraw/zinc/63/58/18/433635818.db2.gz RBWSXAPQACRVHN-QGZVFWFLSA-N 2 1 316.445 3.271 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000293153429 433635826 /nfs/dbraw/zinc/63/58/26/433635826.db2.gz RBWSXAPQACRVHN-QGZVFWFLSA-N 2 1 316.445 3.271 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000362314668 433640132 /nfs/dbraw/zinc/64/01/32/433640132.db2.gz GHNGEDFBSKZWFO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000362314668 433640140 /nfs/dbraw/zinc/64/01/40/433640140.db2.gz GHNGEDFBSKZWFO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000362314668 433640147 /nfs/dbraw/zinc/64/01/47/433640147.db2.gz GHNGEDFBSKZWFO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP COCC[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000282398799 433594554 /nfs/dbraw/zinc/59/45/54/433594554.db2.gz XUBNZRCVTJYQLQ-UYAOXDASSA-N 2 1 316.489 3.230 20 0 DGADMP COCC[C@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000282398799 433594562 /nfs/dbraw/zinc/59/45/62/433594562.db2.gz XUBNZRCVTJYQLQ-UYAOXDASSA-N 2 1 316.489 3.230 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591573 433601487 /nfs/dbraw/zinc/60/14/87/433601487.db2.gz FTAODXKOXFSSCA-OALUTQOASA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351591573 433601496 /nfs/dbraw/zinc/60/14/96/433601496.db2.gz FTAODXKOXFSSCA-OALUTQOASA-N 2 1 320.452 3.102 20 0 DGADMP Cc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000414419494 433606140 /nfs/dbraw/zinc/60/61/40/433606140.db2.gz ZSIVBRXEYJKODY-QGZVFWFLSA-N 2 1 316.493 3.262 20 0 DGADMP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C[C@@H]1CCC[NH+](C)C1 ZINC000351601522 433607476 /nfs/dbraw/zinc/60/74/76/433607476.db2.gz HXBDGICRGOCIQG-OAHLLOKOSA-N 2 1 302.462 3.174 20 0 DGADMP C[N@H+](Cc1cccc2c1OC(C)(C)C2)C[C@@H]1CCC[NH+](C)C1 ZINC000351601522 433607483 /nfs/dbraw/zinc/60/74/83/433607483.db2.gz HXBDGICRGOCIQG-OAHLLOKOSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1cccc2c1OC(C)(C)C2)C[C@@H]1CCC[N@H+](C)C1 ZINC000351601522 433607494 /nfs/dbraw/zinc/60/74/94/433607494.db2.gz HXBDGICRGOCIQG-OAHLLOKOSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1cccc2c1OC(C)(C)C2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351601522 433607505 /nfs/dbraw/zinc/60/75/05/433607505.db2.gz HXBDGICRGOCIQG-OAHLLOKOSA-N 2 1 302.462 3.174 20 0 DGADMP CC1CC[NH+](C[C@H]2CCCN(CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609732 433612526 /nfs/dbraw/zinc/61/25/26/433612526.db2.gz TUGABBIUBKZKJI-VQTJNVASSA-N 3 1 321.553 3.305 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000427132676 433657484 /nfs/dbraw/zinc/65/74/84/433657484.db2.gz GAHCWSCNPBKAEM-VQIMIIECSA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000427132676 433657491 /nfs/dbraw/zinc/65/74/91/433657491.db2.gz GAHCWSCNPBKAEM-VQIMIIECSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000376084141 433660534 /nfs/dbraw/zinc/66/05/34/433660534.db2.gz SMRSERVPXHXDGZ-KZNAEPCWSA-N 2 1 318.509 3.156 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4CCOC4)C3)CC2)cc1 ZINC000362395208 433686263 /nfs/dbraw/zinc/68/62/63/433686263.db2.gz HOTROPMJJQHNQQ-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2C1 ZINC000427288705 433688043 /nfs/dbraw/zinc/68/80/43/433688043.db2.gz MWCPMEIBMRIVDD-OAHLLOKOSA-N 2 1 315.461 3.131 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2C1 ZINC000427288705 433688054 /nfs/dbraw/zinc/68/80/54/433688054.db2.gz MWCPMEIBMRIVDD-OAHLLOKOSA-N 2 1 315.461 3.131 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000376044023 433649881 /nfs/dbraw/zinc/64/98/81/433649881.db2.gz ANYSXHZSMAFOOA-HBFSDRIKSA-N 2 1 315.505 3.223 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000367067705 293019825 /nfs/dbraw/zinc/01/98/25/293019825.db2.gz SSWZUBCACACAEJ-ZIFCJYIRSA-N 2 1 304.478 3.443 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000367067705 293019830 /nfs/dbraw/zinc/01/98/30/293019830.db2.gz SSWZUBCACACAEJ-ZIFCJYIRSA-N 2 1 304.478 3.443 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000367067694 293020059 /nfs/dbraw/zinc/02/00/59/293020059.db2.gz SSWZUBCACACAEJ-AOIWGVFYSA-N 2 1 304.478 3.443 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000367067694 293020063 /nfs/dbraw/zinc/02/00/63/293020063.db2.gz SSWZUBCACACAEJ-AOIWGVFYSA-N 2 1 304.478 3.443 20 0 DGADMP CC(C)c1cc(N2CCC[N@H+]3CCC[C@@H]3C2)nc(C(C)C)n1 ZINC000367129317 293028297 /nfs/dbraw/zinc/02/82/97/293028297.db2.gz PSTPHRJQHHOTPN-OAHLLOKOSA-N 2 1 302.466 3.398 20 0 DGADMP CC(C)c1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(C(C)C)n1 ZINC000368299781 293113357 /nfs/dbraw/zinc/11/33/57/293113357.db2.gz RZIBSHCKTNMHIU-SFHVURJKSA-N 2 1 302.466 3.255 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CCn3ccnc3)C2)c1 ZINC000372350387 293237105 /nfs/dbraw/zinc/23/71/05/293237105.db2.gz RNYQYIHLIBNOMI-CQSZACIVSA-N 2 1 309.335 3.391 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000423002726 293260723 /nfs/dbraw/zinc/26/07/23/293260723.db2.gz ZJPSIXMSRJNJTP-YJBOKZPZSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1CC(C)C ZINC000423002726 293260725 /nfs/dbraw/zinc/26/07/25/293260725.db2.gz ZJPSIXMSRJNJTP-YJBOKZPZSA-N 2 1 318.509 3.010 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCc1ccccc1 ZINC000373450642 293276753 /nfs/dbraw/zinc/27/67/53/293276753.db2.gz BIFYICMWZFYPSI-HSALFYBXSA-N 2 1 316.489 3.193 20 0 DGADMP C[C@]1(CNCc2ccc(F)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000374278047 293376029 /nfs/dbraw/zinc/37/60/29/293376029.db2.gz DCMPTEGSBHDBKV-LJQANCHMSA-N 2 1 313.420 3.223 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccc(F)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000374278047 293376034 /nfs/dbraw/zinc/37/60/34/293376034.db2.gz DCMPTEGSBHDBKV-LJQANCHMSA-N 2 1 313.420 3.223 20 0 DGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1SC ZINC000374322728 293384019 /nfs/dbraw/zinc/38/40/19/293384019.db2.gz FJQTXWNKUUFZGQ-UHFFFAOYSA-N 2 1 320.502 3.477 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374375568 293391203 /nfs/dbraw/zinc/39/12/03/293391203.db2.gz SDLJJENAYPHFMZ-QZTJIDSGSA-N 2 1 308.510 3.293 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCc2cccnc2CC1)[NH+]1CCCCC1 ZINC000421802831 433736203 /nfs/dbraw/zinc/73/62/03/433736203.db2.gz OSJBNPWUUZCUME-QGZVFWFLSA-N 2 1 301.478 3.183 20 0 DGADMP COc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)C2CC2)c(F)c1 ZINC000421819191 433744895 /nfs/dbraw/zinc/74/48/95/433744895.db2.gz FQJQNGPKUMOZHP-GOSISDBHSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000351855356 433755669 /nfs/dbraw/zinc/75/56/69/433755669.db2.gz SYXCVMIDJGICMM-MAUKXSAKSA-N 2 1 323.440 3.108 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414664981 433779238 /nfs/dbraw/zinc/77/92/38/433779238.db2.gz DDPLBDGWMPNYDT-CHWSQXEVSA-N 2 1 300.368 3.350 20 0 DGADMP CC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000421878563 433788925 /nfs/dbraw/zinc/78/89/25/433788925.db2.gz NMYZLMCRRMXBDO-VNTMZGSJSA-N 2 1 316.489 3.038 20 0 DGADMP Brc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414773159 433824757 /nfs/dbraw/zinc/82/47/57/433824757.db2.gz DCDHIJJMJQNVJS-GJZGRUSLSA-N 2 1 323.278 3.271 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449782866 433792085 /nfs/dbraw/zinc/79/20/85/433792085.db2.gz MHIXZRYEZFSUJQ-MRXNPFEDSA-N 2 1 317.477 3.176 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449782866 433792092 /nfs/dbraw/zinc/79/20/92/433792092.db2.gz MHIXZRYEZFSUJQ-MRXNPFEDSA-N 2 1 317.477 3.176 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783923 433795938 /nfs/dbraw/zinc/79/59/38/433795938.db2.gz SRCPBMDRXOXHLT-HNNXBMFYSA-N 2 1 314.477 3.348 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783923 433795945 /nfs/dbraw/zinc/79/59/45/433795945.db2.gz SRCPBMDRXOXHLT-HNNXBMFYSA-N 2 1 314.477 3.348 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)ccc1SC ZINC000414693398 433797195 /nfs/dbraw/zinc/79/71/95/433797195.db2.gz MRYVXMUEHIBYRQ-UKRRQHHQSA-N 2 1 308.491 3.237 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414704326 433800383 /nfs/dbraw/zinc/80/03/83/433800383.db2.gz MZNKWERDIONHKY-RYRKJORJSA-N 2 1 304.503 3.473 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414705334 433801936 /nfs/dbraw/zinc/80/19/36/433801936.db2.gz LJUGYFOEAQDGAC-QGZVFWFLSA-N 3 1 309.542 3.351 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000414742575 433813858 /nfs/dbraw/zinc/81/38/58/433813858.db2.gz UNGMNPLWXJKAPD-NSHDSACASA-N 2 1 317.296 3.380 20 0 DGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000414835445 433875233 /nfs/dbraw/zinc/87/52/33/433875233.db2.gz UASNUKRXRVSPBD-FUNVUKJBSA-N 2 1 302.315 3.217 20 0 DGADMP CCC(C)(C)CC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699271 433875415 /nfs/dbraw/zinc/87/54/15/433875415.db2.gz ZIPPKKMJUHWFAR-MRXNPFEDSA-N 2 1 318.509 3.191 20 0 DGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1SC ZINC000414840895 433877030 /nfs/dbraw/zinc/87/70/30/433877030.db2.gz MSSQPSDWPNFGNA-HNNXBMFYSA-N 2 1 308.491 3.414 20 0 DGADMP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414772121 433826374 /nfs/dbraw/zinc/82/63/74/433826374.db2.gz SZBYBKDEWNTIEB-CALCHBBNSA-N 2 1 314.473 3.439 20 0 DGADMP COCC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000293676636 433826499 /nfs/dbraw/zinc/82/64/99/433826499.db2.gz MYNWFEXESJNUQZ-REPLKXPHSA-N 2 1 316.489 3.444 20 0 DGADMP CSCc1cnc(C[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000293681263 433828183 /nfs/dbraw/zinc/82/81/83/433828183.db2.gz VOLOMWGRWZOILI-UHFFFAOYSA-N 2 1 310.492 3.081 20 0 DGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414782061 433828375 /nfs/dbraw/zinc/82/83/75/433828375.db2.gz NYQNFHUVLWESFS-NXZBXPOISA-N 2 1 306.400 3.300 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc2n1 ZINC000414780003 433828750 /nfs/dbraw/zinc/82/87/50/433828750.db2.gz LAXJWKKWQROQPT-MOPGFXCFSA-N 2 1 309.457 3.365 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414781555 433829289 /nfs/dbraw/zinc/82/92/89/433829289.db2.gz NEOLSYSGFSLKSP-QWHCGFSZSA-N 2 1 319.449 3.257 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414776759 433830267 /nfs/dbraw/zinc/83/02/67/433830267.db2.gz HPYRPZSPAZSRJN-HUUCEWRRSA-N 2 1 313.420 3.195 20 0 DGADMP C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414782754 433830798 /nfs/dbraw/zinc/83/07/98/433830798.db2.gz OUCNMPHQSROEAO-SJLPKXTDSA-N 2 1 308.510 3.280 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCC(C)C ZINC000414792107 433838593 /nfs/dbraw/zinc/83/85/93/433838593.db2.gz IOXSGBDMYUAHOK-INIZCTEOSA-N 2 1 308.466 3.193 20 0 DGADMP COc1ccc(Oc2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)cc2)cc1 ZINC000414814014 433852608 /nfs/dbraw/zinc/85/26/08/433852608.db2.gz RGVNLNWUMAKRGX-IBGZPJMESA-N 2 1 312.413 3.314 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414809992 433853134 /nfs/dbraw/zinc/85/31/34/433853134.db2.gz WGLMEAPOQAESKB-UHFFFAOYSA-N 2 1 303.219 3.195 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000344292733 433857513 /nfs/dbraw/zinc/85/75/13/433857513.db2.gz GJEAWMULPXGEBB-DACLVMHWSA-N 2 1 322.399 3.011 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2F)c1)C1CC1 ZINC000414815010 433860693 /nfs/dbraw/zinc/86/06/93/433860693.db2.gz ZSEPJYMOOOQETM-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211256 433861122 /nfs/dbraw/zinc/86/11/22/433861122.db2.gz TUUWMUUXWBIQGZ-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(OCCC)c1 ZINC000414821327 433864441 /nfs/dbraw/zinc/86/44/41/433864441.db2.gz BDHFFDWPBGNWSD-MRXNPFEDSA-N 2 1 320.477 3.353 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000414826767 433864727 /nfs/dbraw/zinc/86/47/27/433864727.db2.gz WNEVLZILPQYVSF-MNOVXSKESA-N 2 1 317.296 3.297 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414896470 433903899 /nfs/dbraw/zinc/90/38/99/433903899.db2.gz BYOIVAUMZHURSO-MJGOQNOKSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414896470 433903908 /nfs/dbraw/zinc/90/39/08/433903908.db2.gz BYOIVAUMZHURSO-MJGOQNOKSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000414899075 433906059 /nfs/dbraw/zinc/90/60/59/433906059.db2.gz GUAWDJJTBVDCQD-CQSZACIVSA-N 2 1 304.331 3.324 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436233849 433912753 /nfs/dbraw/zinc/91/27/53/433912753.db2.gz VARAZGSRUQCKTM-GFCCVEGCSA-N 2 1 315.446 3.069 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)sc2C1 ZINC000422561472 433918007 /nfs/dbraw/zinc/91/80/07/433918007.db2.gz LIUINVUEQATZRW-SYQHCUMBSA-N 2 1 307.507 3.073 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)sc2C1 ZINC000422561472 433918023 /nfs/dbraw/zinc/91/80/23/433918023.db2.gz LIUINVUEQATZRW-SYQHCUMBSA-N 2 1 307.507 3.073 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000414934007 433920419 /nfs/dbraw/zinc/92/04/19/433920419.db2.gz XOTZVIIHPNIJJB-NEPJUHHUSA-N 2 1 317.658 3.462 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OCC(C)C ZINC000414928291 433922502 /nfs/dbraw/zinc/92/25/02/433922502.db2.gz AOUICFXYQAOBQK-RDJZCZTQSA-N 2 1 320.477 3.350 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293643 433929067 /nfs/dbraw/zinc/92/90/67/433929067.db2.gz OSNCFBJCEGJLHC-UHOSZYNNSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293643 433929080 /nfs/dbraw/zinc/92/90/80/433929080.db2.gz OSNCFBJCEGJLHC-UHOSZYNNSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293643 433929088 /nfs/dbraw/zinc/92/90/88/433929088.db2.gz OSNCFBJCEGJLHC-UHOSZYNNSA-N 2 1 307.526 3.103 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1OCC(C)C ZINC000414852330 433882823 /nfs/dbraw/zinc/88/28/23/433882823.db2.gz QZIHONWXLBHRTP-MRXNPFEDSA-N 2 1 308.466 3.193 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856157 433885584 /nfs/dbraw/zinc/88/55/84/433885584.db2.gz YIQGBUAXHGMJCM-YOEHRIQHSA-N 2 1 318.461 3.234 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414856175 433885804 /nfs/dbraw/zinc/88/58/04/433885804.db2.gz YLEDNLSKBBZOMA-CYBMUJFWSA-N 2 1 304.356 3.091 20 0 DGADMP Cc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302870900 433890765 /nfs/dbraw/zinc/89/07/65/433890765.db2.gz YSZURHMNYHBKOY-IYBDPMFKSA-N 2 1 313.445 3.089 20 0 DGADMP Cc1ccc(C(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285560751 433992364 /nfs/dbraw/zinc/99/23/64/433992364.db2.gz RNQUTHNFPIYKCA-JWTNVVGKSA-N 2 1 300.446 3.125 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000422714377 433943653 /nfs/dbraw/zinc/94/36/53/433943653.db2.gz QVBQYIFYFAOWNM-KCITZHQASA-N 2 1 304.478 3.130 20 0 DGADMP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422718172 433944464 /nfs/dbraw/zinc/94/44/64/433944464.db2.gz PGAZXEHAJPBRIM-LPTQZCDUSA-N 2 1 321.468 3.168 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422717668 433945301 /nfs/dbraw/zinc/94/53/01/433945301.db2.gz WADFQSWBYCDYCL-GUDVDZBRSA-N 3 1 309.542 3.399 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422726905 433951807 /nfs/dbraw/zinc/95/18/07/433951807.db2.gz ASNHSCFCBXRRGV-NZSAHSFTSA-N 2 1 303.494 3.047 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000340168580 433952543 /nfs/dbraw/zinc/95/25/43/433952543.db2.gz SDCAVZFPDNLCJK-ROUUACIJSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000340168580 433952550 /nfs/dbraw/zinc/95/25/50/433952550.db2.gz SDCAVZFPDNLCJK-ROUUACIJSA-N 2 1 324.424 3.340 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340172822 433953195 /nfs/dbraw/zinc/95/31/95/433953195.db2.gz NJSNNCCQZCHKAV-MOPGFXCFSA-N 2 1 324.472 3.073 20 0 DGADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340172822 433953206 /nfs/dbraw/zinc/95/32/06/433953206.db2.gz NJSNNCCQZCHKAV-MOPGFXCFSA-N 2 1 324.472 3.073 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000422730980 433954184 /nfs/dbraw/zinc/95/41/84/433954184.db2.gz GAFLBBUBOPMQHF-XUVXKRRUSA-N 2 1 315.505 3.177 20 0 DGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171995 433955024 /nfs/dbraw/zinc/95/50/24/433955024.db2.gz DXXBJZJLVAGHDK-MISYRCLQSA-N 2 1 315.505 3.286 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)c2ccccc21 ZINC000422728098 433957524 /nfs/dbraw/zinc/95/75/24/433957524.db2.gz FBOFTQKOKXXFLS-WOJBJXKFSA-N 2 1 318.424 3.166 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422733044 433960154 /nfs/dbraw/zinc/96/01/54/433960154.db2.gz AQKXRLINKDKLIG-AKHDSKFASA-N 2 1 307.526 3.151 20 0 DGADMP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422733044 433960163 /nfs/dbraw/zinc/96/01/63/433960163.db2.gz AQKXRLINKDKLIG-AKHDSKFASA-N 2 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340183322 433961972 /nfs/dbraw/zinc/96/19/72/433961972.db2.gz BDEWRXDRRAAXBO-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340183322 433961979 /nfs/dbraw/zinc/96/19/79/433961979.db2.gz BDEWRXDRRAAXBO-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340183322 433961992 /nfs/dbraw/zinc/96/19/92/433961992.db2.gz BDEWRXDRRAAXBO-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP CN(C)C(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285476443 433963274 /nfs/dbraw/zinc/96/32/74/433963274.db2.gz BEQOKXQJIZFXFE-UHFFFAOYSA-N 3 1 317.521 3.359 20 0 DGADMP CC(C)COCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178915 433966701 /nfs/dbraw/zinc/96/67/01/433966701.db2.gz DRUYFPJQOKIMMC-RBUKOAKNSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)COCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178915 433966713 /nfs/dbraw/zinc/96/67/13/433966713.db2.gz DRUYFPJQOKIMMC-RBUKOAKNSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415005283 433970066 /nfs/dbraw/zinc/97/00/66/433970066.db2.gz RJIZZBKGZYYQEE-WCQYABFASA-N 2 1 302.796 3.105 20 0 DGADMP CC1CCN([C@H](C[NH2+]C[C@@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000415085336 433973082 /nfs/dbraw/zinc/97/30/82/433973082.db2.gz PXUJKQOYDIXIKQ-AEFFLSMTSA-N 2 1 321.534 3.110 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOC1CCCCCC1 ZINC000422750682 433974176 /nfs/dbraw/zinc/97/41/76/433974176.db2.gz AHPOILGHBFFHJI-QFBILLFUSA-N 2 1 304.478 3.274 20 0 DGADMP COCCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285512743 433976231 /nfs/dbraw/zinc/97/62/31/433976231.db2.gz JXPSIUXRAFYCKB-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285512743 433976238 /nfs/dbraw/zinc/97/62/38/433976238.db2.gz JXPSIUXRAFYCKB-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285512743 433976246 /nfs/dbraw/zinc/97/62/46/433976246.db2.gz JXPSIUXRAFYCKB-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415123698 433977410 /nfs/dbraw/zinc/97/74/10/433977410.db2.gz QDVFZVJCGGBTQH-KRWDZBQOSA-N 3 1 315.505 3.150 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000422752474 433978494 /nfs/dbraw/zinc/97/84/94/433978494.db2.gz HDJKYDFNPYBRFM-QZTJIDSGSA-N 2 1 324.424 3.041 20 0 DGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000285531570 433983712 /nfs/dbraw/zinc/98/37/12/433983712.db2.gz PCRCUYVTKCWQSR-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000285531570 433983723 /nfs/dbraw/zinc/98/37/23/433983723.db2.gz PCRCUYVTKCWQSR-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000285531570 433983733 /nfs/dbraw/zinc/98/37/33/433983733.db2.gz PCRCUYVTKCWQSR-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000285531570 433983738 /nfs/dbraw/zinc/98/37/38/433983738.db2.gz PCRCUYVTKCWQSR-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)C[C@H]1c1ccccc1 ZINC000340216918 433989924 /nfs/dbraw/zinc/98/99/24/433989924.db2.gz FQMNNONQZSSBKD-ROUUACIJSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)C[C@H]1c1ccccc1 ZINC000340216918 433989938 /nfs/dbraw/zinc/98/99/38/433989938.db2.gz FQMNNONQZSSBKD-ROUUACIJSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294084199 433991388 /nfs/dbraw/zinc/99/13/88/433991388.db2.gz RFIQCSDOJYWROL-QGZVKYPTSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C[NH3+] ZINC000422633847 433936565 /nfs/dbraw/zinc/93/65/65/433936565.db2.gz IUHGPJGTETVKMW-UMVBOHGHSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C[NH3+] ZINC000422633847 433936574 /nfs/dbraw/zinc/93/65/74/433936574.db2.gz IUHGPJGTETVKMW-UMVBOHGHSA-N 2 1 317.408 3.286 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000345826495 433939999 /nfs/dbraw/zinc/93/99/99/433939999.db2.gz GOUKDTBMWFZMBH-QWHCGFSZSA-N 2 1 318.490 3.199 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1)C1C[NH2+]C1 ZINC000422790408 434003743 /nfs/dbraw/zinc/00/37/43/434003743.db2.gz UCLIKBMOBWBRPM-GFCCVEGCSA-N 2 1 318.367 3.455 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C2CC2)c1 ZINC000340238914 434007572 /nfs/dbraw/zinc/00/75/72/434007572.db2.gz LLXIIKZESADUTI-UZLBHIALSA-N 2 1 316.489 3.452 20 0 DGADMP CC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357420549 434008279 /nfs/dbraw/zinc/00/82/79/434008279.db2.gz XAXYPEKGLDVZKL-ZACQAIPSSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352256385 434009314 /nfs/dbraw/zinc/00/93/14/434009314.db2.gz IHNZJMMJRQLDFB-AWEZNQCLSA-N 2 1 303.475 3.488 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)c2ccccc21 ZINC000422800110 434010332 /nfs/dbraw/zinc/01/03/32/434010332.db2.gz AUGAQLNMXPOLNW-WOJBJXKFSA-N 2 1 318.424 3.166 20 0 DGADMP COCc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422801666 434015573 /nfs/dbraw/zinc/01/55/73/434015573.db2.gz CIPOUXVFTFUENQ-VQTJNVASSA-N 2 1 310.441 3.416 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340254490 434016936 /nfs/dbraw/zinc/01/69/36/434016936.db2.gz ONEPLSCBNGDMKQ-WZGPROSRSA-N 2 1 304.478 3.209 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340254490 434016944 /nfs/dbraw/zinc/01/69/44/434016944.db2.gz ONEPLSCBNGDMKQ-WZGPROSRSA-N 2 1 304.478 3.209 20 0 DGADMP [NH3+][C@H]1C[C@H](NCCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422804305 434018148 /nfs/dbraw/zinc/01/81/48/434018148.db2.gz HHLBKMZRUFANAJ-SFTDATJTSA-N 2 1 321.468 3.169 20 0 DGADMP c1cnn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422811105 434021660 /nfs/dbraw/zinc/02/16/60/434021660.db2.gz OJICFBTZSDYZKZ-FYQPLNBISA-N 2 1 324.472 3.450 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+](C)C1CCCCC1 ZINC000422812049 434022110 /nfs/dbraw/zinc/02/21/10/434022110.db2.gz XAMFJRZGUFQAGO-PXNSSMCTSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC[C@@H]1O ZINC000422818921 434026034 /nfs/dbraw/zinc/02/60/34/434026034.db2.gz HMDRJXTZUQRLKG-YDZRNGNQSA-N 2 1 302.462 3.011 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000397932674 293850285 /nfs/dbraw/zinc/85/02/85/293850285.db2.gz MTIULSOOIKPZHS-CRAIPNDOSA-N 2 1 304.503 3.177 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[NH+]1CCC(C)CC1 ZINC000352291054 434031854 /nfs/dbraw/zinc/03/18/54/434031854.db2.gz WEKYLLYOHYIRBA-WJFTUGDTSA-N 2 1 320.521 3.290 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000377910607 434032793 /nfs/dbraw/zinc/03/27/93/434032793.db2.gz XDEBFTNDYQBFDZ-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCc2cscn2)C1 ZINC000340281294 434033363 /nfs/dbraw/zinc/03/33/63/434033363.db2.gz OIPJOCKGMGVAMD-HOTGVXAUSA-N 2 1 307.507 3.272 20 0 DGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377912836 434034665 /nfs/dbraw/zinc/03/46/65/434034665.db2.gz OSPVMTYXFJBJSD-QUCCMNQESA-N 2 1 315.505 3.156 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000340283558 434034844 /nfs/dbraw/zinc/03/48/44/434034844.db2.gz LQMUCTVHLLPBLY-VQTJNVASSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000340283558 434034852 /nfs/dbraw/zinc/03/48/52/434034852.db2.gz LQMUCTVHLLPBLY-VQTJNVASSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000340283558 434034860 /nfs/dbraw/zinc/03/48/60/434034860.db2.gz LQMUCTVHLLPBLY-VQTJNVASSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000340283558 434034867 /nfs/dbraw/zinc/03/48/67/434034867.db2.gz LQMUCTVHLLPBLY-VQTJNVASSA-N 2 1 315.505 3.238 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](O)C(C)C)cc1 ZINC000305101634 434036131 /nfs/dbraw/zinc/03/61/31/434036131.db2.gz AEMWZCYDNRNFRP-KDOFPFPSSA-N 2 1 301.434 3.238 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422831769 434036434 /nfs/dbraw/zinc/03/64/34/434036434.db2.gz UFPPWOOTFJRUHR-CVEARBPZSA-N 2 1 306.450 3.234 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cc1 ZINC000400520928 293864870 /nfs/dbraw/zinc/86/48/70/293864870.db2.gz DQBKMANIOWIUEZ-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837797 434042828 /nfs/dbraw/zinc/04/28/28/434042828.db2.gz MVBSMSLTSFIIPS-VBSBHUPXSA-N 2 1 315.505 3.289 20 0 DGADMP C([NH2+][C@@H]1CCCC12CCCC2)C1([NH+]2CCCC2)CCOCC1 ZINC000340230927 433999610 /nfs/dbraw/zinc/99/96/10/433999610.db2.gz JVWRGLNYEWEXJN-QGZVFWFLSA-N 2 1 306.494 3.334 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1C ZINC000414283421 293886924 /nfs/dbraw/zinc/88/69/24/293886924.db2.gz PELIDSPVCYWFCW-UHFFFAOYSA-N 2 1 312.461 3.004 20 0 DGADMP CC[C@@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000357415042 434001466 /nfs/dbraw/zinc/00/14/66/434001466.db2.gz HMGBNQNGOFBPHN-MJGOQNOKSA-N 2 1 303.494 3.001 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414791246 293891828 /nfs/dbraw/zinc/89/18/28/293891828.db2.gz BDAIJVHOJXLENZ-CABCVRRESA-N 2 1 301.459 3.417 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000450267653 434064947 /nfs/dbraw/zinc/06/49/47/434064947.db2.gz BNQAELXYADJVNF-YLJYHZDGSA-N 2 1 316.489 3.101 20 0 DGADMP CCN(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000422870592 434065192 /nfs/dbraw/zinc/06/51/92/434065192.db2.gz YZZFSZAVPHKFCX-FCLJQHQZSA-N 2 1 307.507 3.004 20 0 DGADMP [O-]c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000294302624 434075609 /nfs/dbraw/zinc/07/56/09/434075609.db2.gz PZKWPTBAVYCLMY-XJKSGUPXSA-N 2 1 320.864 3.494 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363547521 434085763 /nfs/dbraw/zinc/08/57/63/434085763.db2.gz VTIIQXRYGOQHJK-RYRKJORJSA-N 2 1 302.487 3.233 20 0 DGADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422898975 434096646 /nfs/dbraw/zinc/09/66/46/434096646.db2.gz GJMSVPSPOOVGBQ-WOJBJXKFSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161556 434096936 /nfs/dbraw/zinc/09/69/36/434096936.db2.gz RDDSDNPPAPRTQL-HSALFYBXSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000378161556 434096951 /nfs/dbraw/zinc/09/69/51/434096951.db2.gz RDDSDNPPAPRTQL-HSALFYBXSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000378161556 434096962 /nfs/dbraw/zinc/09/69/62/434096962.db2.gz RDDSDNPPAPRTQL-HSALFYBXSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000422841071 434048269 /nfs/dbraw/zinc/04/82/69/434048269.db2.gz VCPNXGYIOSIOTN-OQUMVOOASA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000422841071 434048276 /nfs/dbraw/zinc/04/82/76/434048276.db2.gz VCPNXGYIOSIOTN-OQUMVOOASA-N 3 1 315.505 3.147 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422850270 434052690 /nfs/dbraw/zinc/05/26/90/434052690.db2.gz VUPXJIIEHBHDMR-ROUUACIJSA-N 2 1 316.424 3.069 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317346 434053957 /nfs/dbraw/zinc/05/39/57/434053957.db2.gz PAWDRTJGVNYGIA-AKHDSKFASA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317346 434053969 /nfs/dbraw/zinc/05/39/69/434053969.db2.gz PAWDRTJGVNYGIA-AKHDSKFASA-N 2 1 302.462 3.227 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285746997 434055594 /nfs/dbraw/zinc/05/55/94/434055594.db2.gz RKSKONIYTNMQGZ-AWEZNQCLSA-N 2 1 306.450 3.147 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422856758 434056398 /nfs/dbraw/zinc/05/63/98/434056398.db2.gz GIRBJZRBAYIPMC-YESZJQIVSA-N 3 1 303.494 3.134 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000422863330 434059794 /nfs/dbraw/zinc/05/97/94/434059794.db2.gz OOYUYJLEFWJRRE-USXIJHARSA-N 2 1 309.523 3.109 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnc2ccccc2c1 ZINC000422911018 434103086 /nfs/dbraw/zinc/10/30/86/434103086.db2.gz JVBPFHRHFLJDAK-YWZLYKJASA-N 2 1 305.425 3.283 20 0 DGADMP Cc1cccnc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310159007 434108024 /nfs/dbraw/zinc/10/80/24/434108024.db2.gz PIVKHJMIOUBECP-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310159007 434108030 /nfs/dbraw/zinc/10/80/30/434108030.db2.gz PIVKHJMIOUBECP-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310159007 434108041 /nfs/dbraw/zinc/10/80/41/434108041.db2.gz PIVKHJMIOUBECP-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310159007 434108050 /nfs/dbraw/zinc/10/80/50/434108050.db2.gz PIVKHJMIOUBECP-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422914051 434108268 /nfs/dbraw/zinc/10/82/68/434108268.db2.gz ZYNSSJUTEADBCD-NCXUSEDFSA-N 2 1 321.553 3.397 20 0 DGADMP FC(F)(F)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309979838 434108350 /nfs/dbraw/zinc/10/83/50/434108350.db2.gz UGWCSQBQGPFQLS-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309979838 434108359 /nfs/dbraw/zinc/10/83/59/434108359.db2.gz UGWCSQBQGPFQLS-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309979838 434108367 /nfs/dbraw/zinc/10/83/67/434108367.db2.gz UGWCSQBQGPFQLS-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309979838 434108375 /nfs/dbraw/zinc/10/83/75/434108375.db2.gz UGWCSQBQGPFQLS-CVEARBPZSA-N 2 1 312.379 3.393 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000346094045 434111852 /nfs/dbraw/zinc/11/18/52/434111852.db2.gz YWDWTDHQLWQYGZ-AWEZNQCLSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000346094045 434111868 /nfs/dbraw/zinc/11/18/68/434111868.db2.gz YWDWTDHQLWQYGZ-AWEZNQCLSA-N 2 1 316.367 3.288 20 0 DGADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1Cl ZINC000422934454 434116970 /nfs/dbraw/zinc/11/69/70/434116970.db2.gz FZSNMIYNLNPAMK-DYVFJYSZSA-N 2 1 318.848 3.397 20 0 DGADMP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000353413041 434117369 /nfs/dbraw/zinc/11/73/69/434117369.db2.gz NZIFPYDKRUXVOX-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000285973539 434121821 /nfs/dbraw/zinc/12/18/21/434121821.db2.gz HHCQOKHRMGDXRU-VHDGCEQUSA-N 2 1 306.450 3.146 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1OC ZINC000285973539 434121834 /nfs/dbraw/zinc/12/18/34/434121834.db2.gz HHCQOKHRMGDXRU-VHDGCEQUSA-N 2 1 306.450 3.146 20 0 DGADMP CC(C)(C)OCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309825322 434101248 /nfs/dbraw/zinc/10/12/48/434101248.db2.gz BBCNCVMERIAXDU-GBESFXJTSA-N 2 1 316.489 3.302 20 0 DGADMP OC1(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309875702 434101932 /nfs/dbraw/zinc/10/19/32/434101932.db2.gz TVXCLHSRKMYNTC-IBGZPJMESA-N 2 1 316.489 3.183 20 0 DGADMP CCC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000499657159 294090573 /nfs/dbraw/zinc/09/05/73/294090573.db2.gz MLBJGLAQPUFDPK-MRXNPFEDSA-N 2 1 313.445 3.172 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000502693621 294172778 /nfs/dbraw/zinc/17/27/78/294172778.db2.gz KBRGCAAVJVLLAE-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000502693621 294172780 /nfs/dbraw/zinc/17/27/80/294172780.db2.gz KBRGCAAVJVLLAE-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000502693621 294172785 /nfs/dbraw/zinc/17/27/85/294172785.db2.gz KBRGCAAVJVLLAE-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000502868581 294178114 /nfs/dbraw/zinc/17/81/14/294178114.db2.gz IXWKVYJYYIHCQJ-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000502868581 294178115 /nfs/dbraw/zinc/17/81/15/294178115.db2.gz IXWKVYJYYIHCQJ-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000502868581 294178117 /nfs/dbraw/zinc/17/81/17/294178117.db2.gz IXWKVYJYYIHCQJ-RBUKOAKNSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1F ZINC000503863224 294202320 /nfs/dbraw/zinc/20/23/20/294202320.db2.gz ZGWMEPMWZGTJES-VQHPVUNQSA-N 2 1 318.436 3.297 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422944391 434129234 /nfs/dbraw/zinc/12/92/34/434129234.db2.gz MFYPPYWMUAMHBO-JCGIZDLHSA-N 2 1 317.477 3.421 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000507948246 294313689 /nfs/dbraw/zinc/31/36/89/294313689.db2.gz IIAPZKHHBBKHIX-FHERZECASA-N 2 1 312.498 3.207 20 0 DGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000510697002 294389696 /nfs/dbraw/zinc/38/96/96/294389696.db2.gz BJVSULBZGMPPIG-KGLIPLIRSA-N 2 1 308.416 3.360 20 0 DGADMP COC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301643 434133922 /nfs/dbraw/zinc/13/39/22/434133922.db2.gz NRUXBRFBQDPGBM-QGZVFWFLSA-N 2 1 302.462 3.009 20 0 DGADMP COc1cccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422947168 434133877 /nfs/dbraw/zinc/13/38/77/434133877.db2.gz PYFKWCAATPPHKT-UZLBHIALSA-N 2 1 312.457 3.176 20 0 DGADMP C[C@H]([NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21)C1C[NH2+]C1 ZINC000422954355 434136043 /nfs/dbraw/zinc/13/60/43/434136043.db2.gz IGWDELVALFKBEL-LIRRHRJNSA-N 2 1 308.425 3.375 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422965536 434143390 /nfs/dbraw/zinc/14/33/90/434143390.db2.gz LIPVCIPBUCVOIG-YRXWBPOGSA-N 2 1 302.462 3.130 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000353447511 434143571 /nfs/dbraw/zinc/14/35/71/434143571.db2.gz MMAPQQHCEUQMIN-KGLIPLIRSA-N 2 1 324.490 3.450 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000353447511 434143580 /nfs/dbraw/zinc/14/35/80/434143580.db2.gz MMAPQQHCEUQMIN-KGLIPLIRSA-N 2 1 324.490 3.450 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)cc1F ZINC000340465808 434148352 /nfs/dbraw/zinc/14/83/52/434148352.db2.gz UURFHMCOELEQGM-FZKQIMNGSA-N 2 1 317.408 3.367 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000422977745 434148447 /nfs/dbraw/zinc/14/84/47/434148447.db2.gz XOHFMDWGQMQXDU-DOTOQJQBSA-N 2 1 305.466 3.269 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000363790503 434149909 /nfs/dbraw/zinc/14/99/09/434149909.db2.gz GLCMVCZSWJKYHL-MELADBBJSA-N 2 1 305.491 3.299 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000363790503 434149919 /nfs/dbraw/zinc/14/99/19/434149919.db2.gz GLCMVCZSWJKYHL-MELADBBJSA-N 2 1 305.491 3.299 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000353470157 434156456 /nfs/dbraw/zinc/15/64/56/434156456.db2.gz CZAJUHSSZKDGTP-CQSZACIVSA-N 2 1 319.474 3.233 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998422 434156963 /nfs/dbraw/zinc/15/69/63/434156963.db2.gz CQLKRFYNQQFMTF-UMGGQSCQSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998422 434156968 /nfs/dbraw/zinc/15/69/68/434156968.db2.gz CQLKRFYNQQFMTF-UMGGQSCQSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422998422 434156974 /nfs/dbraw/zinc/15/69/74/434156974.db2.gz CQLKRFYNQQFMTF-UMGGQSCQSA-N 2 1 315.505 3.017 20 0 DGADMP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000423009241 434163197 /nfs/dbraw/zinc/16/31/97/434163197.db2.gz VHJAKUBRNKAKJW-PKOBYXMFSA-N 2 1 319.408 3.478 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000423006859 434164838 /nfs/dbraw/zinc/16/48/38/434164838.db2.gz PGEYCAOXZNXIMU-HNNXBMFYSA-N 3 1 306.498 3.008 20 0 DGADMP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(-c2ccccc2)n1 ZINC000423028531 434171557 /nfs/dbraw/zinc/17/15/57/434171557.db2.gz GOVSHNHGRZKSQN-OALUTQOASA-N 2 1 318.424 3.322 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000353495144 434173468 /nfs/dbraw/zinc/17/34/68/434173468.db2.gz MYNGQRLMESRCFI-WMLDXEAASA-N 2 1 318.440 3.348 20 0 DGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)sc1C ZINC000353492057 434176165 /nfs/dbraw/zinc/17/61/65/434176165.db2.gz NFVWHDFMVVXZIN-IMJJTQAJSA-N 2 1 307.507 3.019 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000340518509 434180187 /nfs/dbraw/zinc/18/01/87/434180187.db2.gz KOKZDJLTKKKPJQ-BSDSXHPESA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340519915 434181395 /nfs/dbraw/zinc/18/13/95/434181395.db2.gz RRNIJYCHWAGKOA-YYIAUSFCSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340519915 434181406 /nfs/dbraw/zinc/18/14/06/434181406.db2.gz RRNIJYCHWAGKOA-YYIAUSFCSA-N 2 1 306.494 3.044 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000353510920 434188337 /nfs/dbraw/zinc/18/83/37/434188337.db2.gz AMXPQYUWVUEOJM-YUTCNCBUSA-N 2 1 310.463 3.058 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357801289 434190375 /nfs/dbraw/zinc/19/03/75/434190375.db2.gz UUVZTCQTAFZXSE-ZWKOTPCHSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357801289 434190385 /nfs/dbraw/zinc/19/03/85/434190385.db2.gz UUVZTCQTAFZXSE-ZWKOTPCHSA-N 2 1 312.461 3.158 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357801289 434190392 /nfs/dbraw/zinc/19/03/92/434190392.db2.gz UUVZTCQTAFZXSE-ZWKOTPCHSA-N 2 1 312.461 3.158 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000286190758 434192843 /nfs/dbraw/zinc/19/28/43/434192843.db2.gz RHHFTLHJUNWCAM-CYBMUJFWSA-N 2 1 324.490 3.450 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061403 434198606 /nfs/dbraw/zinc/19/86/06/434198606.db2.gz KQMKDWSXXFXOSA-XUVXKRRUSA-N 2 1 315.505 3.004 20 0 DGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061403 434198614 /nfs/dbraw/zinc/19/86/14/434198614.db2.gz KQMKDWSXXFXOSA-XUVXKRRUSA-N 2 1 315.505 3.004 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450461143 434198744 /nfs/dbraw/zinc/19/87/44/434198744.db2.gz UTMIUKXWFXMJLA-MRXNPFEDSA-N 2 1 320.452 3.452 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450461143 434198755 /nfs/dbraw/zinc/19/87/55/434198755.db2.gz UTMIUKXWFXMJLA-MRXNPFEDSA-N 2 1 320.452 3.452 20 0 DGADMP C[N@@H+](CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000317187148 434201696 /nfs/dbraw/zinc/20/16/96/434201696.db2.gz WREZIKUBNBKWKM-MOPGFXCFSA-N 2 1 301.478 3.375 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccccc2)OC)C[C@H]1C ZINC000450465062 434205020 /nfs/dbraw/zinc/20/50/20/434205020.db2.gz CZMKZOCIVAEMDL-NZSAHSFTSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccccc2)OC)C[C@H]1C ZINC000450465062 434205022 /nfs/dbraw/zinc/20/50/22/434205022.db2.gz CZMKZOCIVAEMDL-NZSAHSFTSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccccc2)OC)C[C@H]1C ZINC000450465062 434205026 /nfs/dbraw/zinc/20/50/26/434205026.db2.gz CZMKZOCIVAEMDL-NZSAHSFTSA-N 2 1 304.478 3.049 20 0 DGADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423076786 434207341 /nfs/dbraw/zinc/20/73/41/434207341.db2.gz ZTDCVFVDVNHMPR-VNQPRFMTSA-N 2 1 314.429 3.452 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000437107038 434214063 /nfs/dbraw/zinc/21/40/63/434214063.db2.gz JTXXLTDXKDIQQL-MSOLQXFVSA-N 2 1 301.478 3.248 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353548075 434215311 /nfs/dbraw/zinc/21/53/11/434215311.db2.gz UYOCQEYYRZKHBQ-IBGZPJMESA-N 2 1 320.452 3.320 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000437107059 434216908 /nfs/dbraw/zinc/21/69/08/434216908.db2.gz JTXXLTDXKDIQQL-ROUUACIJSA-N 2 1 301.478 3.248 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499358 434166742 /nfs/dbraw/zinc/16/67/42/434166742.db2.gz NAZMDJJXIVZTQX-WBVHZDCISA-N 2 1 313.420 3.393 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499358 434166751 /nfs/dbraw/zinc/16/67/51/434166751.db2.gz NAZMDJJXIVZTQX-WBVHZDCISA-N 2 1 313.420 3.393 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353570670 434239846 /nfs/dbraw/zinc/23/98/46/434239846.db2.gz FITJEHBOZVRRDR-AWEZNQCLSA-N 2 1 324.538 3.130 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353570670 434239851 /nfs/dbraw/zinc/23/98/51/434239851.db2.gz FITJEHBOZVRRDR-AWEZNQCLSA-N 2 1 324.538 3.130 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)c(C)c1OC ZINC000353578408 434242684 /nfs/dbraw/zinc/24/26/84/434242684.db2.gz RFKWRSSEXUMUKS-CABCVRRESA-N 2 1 322.493 3.262 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c(C)c1OC ZINC000353578408 434242691 /nfs/dbraw/zinc/24/26/91/434242691.db2.gz RFKWRSSEXUMUKS-CABCVRRESA-N 2 1 322.493 3.262 20 0 DGADMP COc1cc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1Cl ZINC000423140413 434244638 /nfs/dbraw/zinc/24/46/38/434244638.db2.gz YDUYRXBNBJHTFV-NSHDSACASA-N 2 1 305.809 3.049 20 0 DGADMP CSc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423146228 434249106 /nfs/dbraw/zinc/24/91/06/434249106.db2.gz OSJSWXTUNFTXKE-BZSNNMDCSA-N 2 1 321.534 3.261 20 0 DGADMP C[C@@H]([C@H]1CCC[NH2+]1)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423163423 434255756 /nfs/dbraw/zinc/25/57/56/434255756.db2.gz RDTAEGLAKKZYND-SCLBCKFNSA-N 2 1 308.416 3.360 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172548 434262087 /nfs/dbraw/zinc/26/20/87/434262087.db2.gz UCAFXQQQNKSSPP-PWRODBHTSA-N 2 1 324.468 3.395 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000353601070 434262934 /nfs/dbraw/zinc/26/29/34/434262934.db2.gz AEDOFXKSDMIIMN-ZDUSSCGKSA-N 2 1 324.490 3.307 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1F ZINC000423178304 434264874 /nfs/dbraw/zinc/26/48/74/434264874.db2.gz BSJKLEPUYCQQAB-YQQAZPJKSA-N 2 1 306.425 3.202 20 0 DGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423180752 434268693 /nfs/dbraw/zinc/26/86/93/434268693.db2.gz IWKORMZPBIEPPM-VIFPVBQESA-N 2 1 304.768 3.344 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000319466514 434224468 /nfs/dbraw/zinc/22/44/68/434224468.db2.gz PUPSVLXVJHPBAC-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000319478480 434226047 /nfs/dbraw/zinc/22/60/47/434226047.db2.gz RXBQAFYXJPSUPF-QXAKKESOSA-N 2 1 304.478 3.444 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000319478480 434226056 /nfs/dbraw/zinc/22/60/56/434226056.db2.gz RXBQAFYXJPSUPF-QXAKKESOSA-N 2 1 304.478 3.444 20 0 DGADMP COC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000286304606 434226686 /nfs/dbraw/zinc/22/66/86/434226686.db2.gz XFTSZIUWXJFHEL-SOAGJPPSSA-N 2 1 316.489 3.444 20 0 DGADMP COC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000319780978 434226666 /nfs/dbraw/zinc/22/66/66/434226666.db2.gz ZDZNKBRZBHEHOV-LJQANCHMSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423119050 434227443 /nfs/dbraw/zinc/22/74/43/434227443.db2.gz CXVTUMULUUUYOJ-WBVHZDCISA-N 2 1 319.493 3.374 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)cc1F ZINC000423117167 434227981 /nfs/dbraw/zinc/22/79/81/434227981.db2.gz UCLSAHPHTRPMPS-DNNBLBMLSA-N 2 1 306.425 3.201 20 0 DGADMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000340600063 434234857 /nfs/dbraw/zinc/23/48/57/434234857.db2.gz DRGFFIPLBZSJEQ-UHFFFAOYSA-N 2 1 321.484 3.065 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000353573010 434238191 /nfs/dbraw/zinc/23/81/91/434238191.db2.gz JSUMLGZSZYGMQC-IYWMVGAKSA-N 2 1 316.489 3.412 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000423131783 434238933 /nfs/dbraw/zinc/23/89/33/434238933.db2.gz OJNMHMJJUDVGPV-BXWFABGCSA-N 2 1 305.510 3.347 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@H]1c1ccccc1 ZINC000328323932 434284576 /nfs/dbraw/zinc/28/45/76/434284576.db2.gz FMYWHCIRODRNFZ-QRVBRYPASA-N 2 1 314.473 3.153 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423207389 434285496 /nfs/dbraw/zinc/28/54/96/434285496.db2.gz GYOURWVJJBYQKZ-GHMZBOCLSA-N 2 1 302.340 3.077 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000384032965 434290373 /nfs/dbraw/zinc/29/03/73/434290373.db2.gz LRQVAEXOHBJOAP-FXAWDEMLSA-N 2 1 324.468 3.435 20 0 DGADMP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000286880183 434298380 /nfs/dbraw/zinc/29/83/80/434298380.db2.gz CITLTMGKJYZIAS-YNBHDNDASA-N 2 1 310.485 3.396 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@H]1CCCC[NH2+]1 ZINC000385994541 434303703 /nfs/dbraw/zinc/30/37/03/434303703.db2.gz FKIUWJQAFPWIMP-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H](NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423235066 434306588 /nfs/dbraw/zinc/30/65/88/434306588.db2.gz GEPIVJNHXJYWBH-WMQCIHAUSA-N 2 1 323.484 3.187 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOC2CCC2)CC1 ZINC000287246246 434311654 /nfs/dbraw/zinc/31/16/54/434311654.db2.gz KDQOHPNYJLVAKH-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](CC1CC(F)(F)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450642833 434312411 /nfs/dbraw/zinc/31/24/11/434312411.db2.gz PZXHSLFBQIRSEA-UHFFFAOYSA-N 2 1 309.404 3.275 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423262435 434325075 /nfs/dbraw/zinc/32/50/75/434325075.db2.gz MMOZCCHJTWDZJC-UXPWSPDFSA-N 2 1 315.505 3.147 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358091044 434326213 /nfs/dbraw/zinc/32/62/13/434326213.db2.gz XHEVYLVNTHRSSF-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423269292 434327108 /nfs/dbraw/zinc/32/71/08/434327108.db2.gz FHCWDGCVISJDEW-UONOGXRCSA-N 2 1 302.340 3.363 20 0 DGADMP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)sc1Br ZINC000423275285 434332242 /nfs/dbraw/zinc/33/22/42/434332242.db2.gz LLEMUSQSABPORY-PSASIEDQSA-N 2 1 303.269 3.207 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000417353247 434361718 /nfs/dbraw/zinc/36/17/18/434361718.db2.gz IIGPVAICKQTLQB-HNNXBMFYSA-N 2 1 302.462 3.325 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423330892 434363509 /nfs/dbraw/zinc/36/35/09/434363509.db2.gz UJJDLXWEMXGPKR-CABCVRRESA-N 2 1 309.251 3.153 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000390672794 434366033 /nfs/dbraw/zinc/36/60/33/434366033.db2.gz SNHARZNEVMPFBK-FHWLQOOXSA-N 2 1 315.505 3.147 20 0 DGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000390672794 434366046 /nfs/dbraw/zinc/36/60/46/434366046.db2.gz SNHARZNEVMPFBK-FHWLQOOXSA-N 2 1 315.505 3.147 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722214 434366529 /nfs/dbraw/zinc/36/65/29/434366529.db2.gz KKQRVZBRQRPNBL-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722214 434366538 /nfs/dbraw/zinc/36/65/38/434366538.db2.gz KKQRVZBRQRPNBL-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000390836571 434370683 /nfs/dbraw/zinc/37/06/83/434370683.db2.gz ABVYVYSWFVTVDP-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000390836571 434370691 /nfs/dbraw/zinc/37/06/91/434370691.db2.gz ABVYVYSWFVTVDP-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)c2cccc(Br)c21 ZINC000423333556 434370902 /nfs/dbraw/zinc/37/09/02/434370902.db2.gz RWTNVWIWWXYCOG-ZWNOBZJWSA-N 2 1 309.251 3.468 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC(C)C ZINC000417380913 434373434 /nfs/dbraw/zinc/37/34/34/434373434.db2.gz UXFNMGVQAZCWFH-FQEVSTJZSA-N 2 1 318.505 3.344 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390906410 434375551 /nfs/dbraw/zinc/37/55/51/434375551.db2.gz LATKFPIQORBUMU-FUMNGEBKSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390906410 434375564 /nfs/dbraw/zinc/37/55/64/434375564.db2.gz LATKFPIQORBUMU-FUMNGEBKSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423369874 434386575 /nfs/dbraw/zinc/38/65/75/434386575.db2.gz CHLNFZOCLLHVCN-OXHPOLQJSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000423373763 434390616 /nfs/dbraw/zinc/39/06/16/434390616.db2.gz JLZFEPCCVDUYCS-JFGNBEQYSA-N 2 1 315.230 3.379 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423279649 434336011 /nfs/dbraw/zinc/33/60/11/434336011.db2.gz RWLDIOSQIVRVQU-FNHZYXHNSA-N 3 1 312.461 3.349 20 0 DGADMP CCOc1ccc([C@@H](CC)[NH2+][C@@H](C[NH3+])C2CC2)cc1OCC ZINC000423285820 434337773 /nfs/dbraw/zinc/33/77/73/434337773.db2.gz YUMAJSMXPMBAGB-CVEARBPZSA-N 2 1 306.450 3.262 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423285237 434339089 /nfs/dbraw/zinc/33/90/89/434339089.db2.gz ZGJSINQSEDEGNW-UWVGGRQHSA-N 2 1 303.219 3.094 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423286371 434339392 /nfs/dbraw/zinc/33/93/92/434339392.db2.gz GVUQMLDBRZYMIC-ZDUSSCGKSA-N 2 1 302.340 3.363 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423296997 434348470 /nfs/dbraw/zinc/34/84/70/434348470.db2.gz IHTUINUBLBNCMN-ZGXWSNOMSA-N 3 1 315.505 3.004 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423303099 434350397 /nfs/dbraw/zinc/35/03/97/434350397.db2.gz WNEHRXPVISROCX-SQWLQELKSA-N 2 1 308.466 3.303 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)sc1Br ZINC000423311257 434354376 /nfs/dbraw/zinc/35/43/76/434354376.db2.gz BNSBHPJTYZUHRZ-PSASIEDQSA-N 2 1 303.269 3.207 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1OCCC ZINC000423309460 434355518 /nfs/dbraw/zinc/35/55/18/434355518.db2.gz ZVJPSTAGYJZCOK-AWEZNQCLSA-N 2 1 306.450 3.134 20 0 DGADMP [NH3+]C1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCC1 ZINC000423322891 434359133 /nfs/dbraw/zinc/35/91/33/434359133.db2.gz JCSFTESJUCWMAX-LBPRGKRZSA-N 2 1 315.280 3.433 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000366221346 434359378 /nfs/dbraw/zinc/35/93/78/434359378.db2.gz JBBWECWJQUJGBR-OALUTQOASA-N 2 1 304.478 3.159 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000450762006 434397088 /nfs/dbraw/zinc/39/70/88/434397088.db2.gz SAPJANCXUKMMAM-PMPSAXMXSA-N 2 1 318.452 3.148 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)cc2)C[C@H]1C ZINC000353749528 434397178 /nfs/dbraw/zinc/39/71/78/434397178.db2.gz LPLVRKSNTMSLAV-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCCOC)cc2)C[C@H]1C ZINC000353749528 434397185 /nfs/dbraw/zinc/39/71/85/434397185.db2.gz LPLVRKSNTMSLAV-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)C[C@H]1C ZINC000353749528 434397189 /nfs/dbraw/zinc/39/71/89/434397189.db2.gz LPLVRKSNTMSLAV-SJLPKXTDSA-N 2 1 320.477 3.016 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C[N@H+]1C1CC1 ZINC000423391328 434403638 /nfs/dbraw/zinc/40/36/38/434403638.db2.gz KUOHHJHRWFMYNY-LXGCGDOSSA-N 2 1 309.457 3.054 20 0 DGADMP COC[C@]1(C[NH2+][C@@H](c2ccccc2)C2CCCC2)CCC[NH2+]1 ZINC000423416131 434410137 /nfs/dbraw/zinc/41/01/37/434410137.db2.gz QDGNDTUAMYMDIC-RBUKOAKNSA-N 2 1 302.462 3.276 20 0 DGADMP COC[C@]1(C[NH2+][C@H](c2cccs2)C2CCCC2)CCC[NH2+]1 ZINC000423414216 434411318 /nfs/dbraw/zinc/41/13/18/434411318.db2.gz MGZCINRLYRCVDK-DLBZAZTESA-N 2 1 308.491 3.338 20 0 DGADMP COC[C@@]1(C[NH2+][C@H](c2ccccc2)C2CCCC2)CCC[NH2+]1 ZINC000423416129 434411519 /nfs/dbraw/zinc/41/15/19/434411519.db2.gz QDGNDTUAMYMDIC-MOPGFXCFSA-N 2 1 302.462 3.276 20 0 DGADMP Clc1c[nH+]ccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397509062 434436987 /nfs/dbraw/zinc/43/69/87/434436987.db2.gz LOELMPSXFYYJMJ-UHFFFAOYSA-N 2 1 315.848 3.481 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C[NH3+] ZINC000397411471 434438673 /nfs/dbraw/zinc/43/86/73/434438673.db2.gz QZDHZXBLENJZIO-UMVBOHGHSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C[NH3+] ZINC000397411471 434438679 /nfs/dbraw/zinc/43/86/79/434438679.db2.gz QZDHZXBLENJZIO-UMVBOHGHSA-N 2 1 317.408 3.286 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000353800420 434438891 /nfs/dbraw/zinc/43/88/91/434438891.db2.gz CKJCPNHODWTXJU-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000353800420 434438899 /nfs/dbraw/zinc/43/88/99/434438899.db2.gz CKJCPNHODWTXJU-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497659 434462253 /nfs/dbraw/zinc/46/22/53/434462253.db2.gz AKUDZHWAOMIUBX-AEGPPILISA-N 2 1 300.368 3.453 20 0 DGADMP CC(C)[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H]2C(C)C)COC1 ZINC000359991605 434466334 /nfs/dbraw/zinc/46/63/34/434466334.db2.gz JCIBDQZPNMVBJQ-QZTJIDSGSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000423515460 434470979 /nfs/dbraw/zinc/47/09/79/434470979.db2.gz NHBKRKZWEANJQK-OXJNMPFZSA-N 2 1 310.441 3.383 20 0 DGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1OC(F)F ZINC000423521992 434474602 /nfs/dbraw/zinc/47/46/02/434474602.db2.gz GWGNKQCIUIVXHG-SNVBAGLBSA-N 2 1 302.340 3.220 20 0 DGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423527388 434474928 /nfs/dbraw/zinc/47/49/28/434474928.db2.gz VSYUECBLBJXIMX-APWZRJJASA-N 2 1 320.477 3.141 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H](C)C1 ZINC000348756886 434476734 /nfs/dbraw/zinc/47/67/34/434476734.db2.gz QZCQDUKFUOURRK-VXGQWTEUSA-N 2 1 322.415 3.054 20 0 DGADMP [NH3+]C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CCCC1 ZINC000423534508 434482053 /nfs/dbraw/zinc/48/20/53/434482053.db2.gz WHFYJLCGDDBMKK-KRWDZBQOSA-N 2 1 323.431 3.041 20 0 DGADMP c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000296024378 434484158 /nfs/dbraw/zinc/48/41/58/434484158.db2.gz PRGYATLEKZVBSA-SFHVURJKSA-N 2 1 310.445 3.104 20 0 DGADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423571946 434491263 /nfs/dbraw/zinc/49/12/63/434491263.db2.gz YAEJRNQWYDPXBQ-AWEZNQCLSA-N 2 1 313.367 3.210 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000401797761 434499035 /nfs/dbraw/zinc/49/90/35/434499035.db2.gz ZUVRVZALJKERQU-CQSZACIVSA-N 2 1 307.850 3.443 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000398072598 434450256 /nfs/dbraw/zinc/45/02/56/434450256.db2.gz ZEAMMCPTCJBACT-GWKIZSTFSA-N 2 1 321.468 3.384 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423492457 434455207 /nfs/dbraw/zinc/45/52/07/434455207.db2.gz NDTRYGNENBJRTB-IRXDYDNUSA-N 2 1 310.869 3.395 20 0 DGADMP Fc1ccccc1[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423493738 434455372 /nfs/dbraw/zinc/45/53/72/434455372.db2.gz QZDRZWYCYZUXFE-MAUKXSAKSA-N 2 1 306.425 3.025 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cccn2)cc1 ZINC000296103032 434509309 /nfs/dbraw/zinc/50/93/09/434509309.db2.gz YVXUDHJUMTXLIH-DJXYKJKZSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@@H]1CC[NH3+] ZINC000404351054 434511277 /nfs/dbraw/zinc/51/12/77/434511277.db2.gz JHFFONUBLULZMT-XJKSGUPXSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@@H]1CC[NH3+] ZINC000404351054 434511282 /nfs/dbraw/zinc/51/12/82/434511282.db2.gz JHFFONUBLULZMT-XJKSGUPXSA-N 2 1 317.408 3.430 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834055 434517816 /nfs/dbraw/zinc/51/78/16/434517816.db2.gz PGDUZTHAYVALEE-RDJZCZTQSA-N 2 1 320.477 3.186 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834055 434517824 /nfs/dbraw/zinc/51/78/24/434517824.db2.gz PGDUZTHAYVALEE-RDJZCZTQSA-N 2 1 320.477 3.186 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C3CCC3)cc2)CC1 ZINC000353915627 434522427 /nfs/dbraw/zinc/52/24/27/434522427.db2.gz MWKYHXPPJBAJSE-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccc(CCC[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000353935982 434535239 /nfs/dbraw/zinc/53/52/39/434535239.db2.gz YPHJOJMAKVBPDF-UHFFFAOYSA-N 2 1 311.473 3.434 20 0 DGADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000348880874 434541390 /nfs/dbraw/zinc/54/13/90/434541390.db2.gz WDZGZBGYVZEVGQ-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000348880874 434541398 /nfs/dbraw/zinc/54/13/98/434541398.db2.gz WDZGZBGYVZEVGQ-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000348880874 434541404 /nfs/dbraw/zinc/54/14/04/434541404.db2.gz WDZGZBGYVZEVGQ-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000348880874 434541409 /nfs/dbraw/zinc/54/14/09/434541409.db2.gz WDZGZBGYVZEVGQ-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1Cl ZINC000451068570 434552925 /nfs/dbraw/zinc/55/29/25/434552925.db2.gz IVZIIFVZIIRADP-QGZVFWFLSA-N 2 1 308.853 3.266 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527349938 295093854 /nfs/dbraw/zinc/09/38/54/295093854.db2.gz LAOOSMZKOMASQG-UHFFFAOYSA-N 2 1 315.505 3.495 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000089516831 295101535 /nfs/dbraw/zinc/10/15/35/295101535.db2.gz KOMJRMRGGZWUNG-IIDMSEBBSA-N 2 1 304.478 3.291 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538763 295102586 /nfs/dbraw/zinc/10/25/86/295102586.db2.gz HEYKUMMHIQRQDS-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538763 295102588 /nfs/dbraw/zinc/10/25/88/295102588.db2.gz HEYKUMMHIQRQDS-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538763 295102590 /nfs/dbraw/zinc/10/25/90/295102590.db2.gz HEYKUMMHIQRQDS-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538763 295102592 /nfs/dbraw/zinc/10/25/92/295102592.db2.gz HEYKUMMHIQRQDS-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP COc1cc(CNC[C@@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000527656776 295110981 /nfs/dbraw/zinc/11/09/81/295110981.db2.gz KKYZKKYCQREQLA-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000527656776 295110983 /nfs/dbraw/zinc/11/09/83/295110983.db2.gz KKYZKKYCQREQLA-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663946 295111932 /nfs/dbraw/zinc/11/19/32/295111932.db2.gz ARDWFMIZVVOWOK-SMDDNHRTSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663946 295111936 /nfs/dbraw/zinc/11/19/36/295111936.db2.gz ARDWFMIZVVOWOK-SMDDNHRTSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663946 295111938 /nfs/dbraw/zinc/11/19/38/295111938.db2.gz ARDWFMIZVVOWOK-SMDDNHRTSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663944 295112005 /nfs/dbraw/zinc/11/20/05/295112005.db2.gz ARDWFMIZVVOWOK-FZMZJTMJSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663944 295112009 /nfs/dbraw/zinc/11/20/09/295112009.db2.gz ARDWFMIZVVOWOK-FZMZJTMJSA-N 2 1 316.367 3.286 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527663944 295112012 /nfs/dbraw/zinc/11/20/12/295112012.db2.gz ARDWFMIZVVOWOK-FZMZJTMJSA-N 2 1 316.367 3.286 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000459378093 434573080 /nfs/dbraw/zinc/57/30/80/434573080.db2.gz PYMZTGSPZUGNHM-HZPDHXFCSA-N 2 1 324.900 3.123 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925367 295151052 /nfs/dbraw/zinc/15/10/52/295151052.db2.gz ARRIZOWRZGCZSW-GQIGUUNPSA-N 2 1 300.490 3.500 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3occc32)C2CC3CC(C2)CC1C3 ZINC000333893970 295208866 /nfs/dbraw/zinc/20/88/66/295208866.db2.gz YSHDDBKGRXJOFJ-ABRWGSHYSA-N 2 1 300.446 3.400 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401128 295208997 /nfs/dbraw/zinc/20/89/97/295208997.db2.gz VSVRZHRQBXHYDT-MJGOQNOKSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401128 295208998 /nfs/dbraw/zinc/20/89/98/295208998.db2.gz VSVRZHRQBXHYDT-MJGOQNOKSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401128 295209000 /nfs/dbraw/zinc/20/90/00/295209000.db2.gz VSVRZHRQBXHYDT-MJGOQNOKSA-N 2 1 322.468 3.047 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500487 295209357 /nfs/dbraw/zinc/20/93/57/295209357.db2.gz KIBVGZPTZLSVHT-CJNGLKHVSA-N 2 1 306.450 3.180 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000528414048 295210885 /nfs/dbraw/zinc/21/08/85/295210885.db2.gz ASLSNYBKOXJCJB-WBAXXEDZSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000528414048 295210886 /nfs/dbraw/zinc/21/08/86/295210886.db2.gz ASLSNYBKOXJCJB-WBAXXEDZSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000528414048 295210887 /nfs/dbraw/zinc/21/08/87/295210887.db2.gz ASLSNYBKOXJCJB-WBAXXEDZSA-N 2 1 308.441 3.175 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000459476882 434588306 /nfs/dbraw/zinc/58/83/06/434588306.db2.gz HPSRCPBYEKNEEK-MJGOQNOKSA-N 2 1 300.446 3.123 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422729442 295296937 /nfs/dbraw/zinc/29/69/37/295296937.db2.gz IBMWECFWBVQVND-BZUAXINKSA-N 2 1 307.507 3.135 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000166403516 295366160 /nfs/dbraw/zinc/36/61/60/295366160.db2.gz QWFKWDFQPQTHCA-NXHRZFHOSA-N 2 1 304.478 3.335 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000166403516 295366163 /nfs/dbraw/zinc/36/61/63/295366163.db2.gz QWFKWDFQPQTHCA-NXHRZFHOSA-N 2 1 304.478 3.335 20 0 DGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000424320577 434693196 /nfs/dbraw/zinc/69/31/96/434693196.db2.gz ICPILKNJKDGUAL-GJZGRUSLSA-N 2 1 312.498 3.207 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000424317170 434693379 /nfs/dbraw/zinc/69/33/79/434693379.db2.gz DQMBFWCGIBYIRG-LSDHHAIUSA-N 2 1 312.498 3.064 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424327834 434698924 /nfs/dbraw/zinc/69/89/24/434698924.db2.gz PBPJWEXXKFPVON-QLFBSQMISA-N 2 1 312.498 3.063 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219867 434673859 /nfs/dbraw/zinc/67/38/59/434673859.db2.gz FRWOVNWYKKYRAA-AEFFLSMTSA-N 2 1 317.477 3.047 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000459724331 434677179 /nfs/dbraw/zinc/67/71/79/434677179.db2.gz ANMVREDDTSKKKB-ZIFCJYIRSA-N 2 1 301.478 3.429 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424286617 434677528 /nfs/dbraw/zinc/67/75/28/434677528.db2.gz HMKSGCUMYHMJAZ-INIZCTEOSA-N 2 1 302.462 3.438 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2cc(C)cn2)C[C@H]1C ZINC000354225952 434678084 /nfs/dbraw/zinc/67/80/84/434678084.db2.gz ZUFCHTRVCKPNAK-QZTJIDSGSA-N 2 1 306.498 3.166 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2cc(C)cn2)C[C@H]1C ZINC000354225952 434678092 /nfs/dbraw/zinc/67/80/92/434678092.db2.gz ZUFCHTRVCKPNAK-QZTJIDSGSA-N 2 1 306.498 3.166 20 0 DGADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1SC ZINC000424284127 434678093 /nfs/dbraw/zinc/67/80/93/434678093.db2.gz CQGMIVFPZRKDBP-CQSZACIVSA-N 2 1 320.502 3.381 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440108716 434678411 /nfs/dbraw/zinc/67/84/11/434678411.db2.gz RUBOQVSNBCXBQE-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000349341000 434678732 /nfs/dbraw/zinc/67/87/32/434678732.db2.gz ALKDBBALJCNLIP-UHFFFAOYSA-N 2 1 315.446 3.165 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000349341000 434678741 /nfs/dbraw/zinc/67/87/41/434678741.db2.gz ALKDBBALJCNLIP-UHFFFAOYSA-N 2 1 315.446 3.165 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293949 434680588 /nfs/dbraw/zinc/68/05/88/434680588.db2.gz DDVYTGOOWVHJMC-LFDJNIOPSA-N 2 1 306.494 3.044 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293949 434680596 /nfs/dbraw/zinc/68/05/96/434680596.db2.gz DDVYTGOOWVHJMC-LFDJNIOPSA-N 2 1 306.494 3.044 20 0 DGADMP CCOc1cc(C[N@H+](CC)CCC[NH+]2CCCC2)ccc1OC ZINC000349349458 434684591 /nfs/dbraw/zinc/68/45/91/434684591.db2.gz OHNYUXWGCXVIKY-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCOc1cc(C[N@@H+](CC)CCC[NH+]2CCCC2)ccc1OC ZINC000349349458 434684597 /nfs/dbraw/zinc/68/45/97/434684597.db2.gz OHNYUXWGCXVIKY-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424301707 434685798 /nfs/dbraw/zinc/68/57/98/434685798.db2.gz YBHOHHMSXRVHSU-UONOGXRCSA-N 2 1 323.506 3.205 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(Br)c2)C1 ZINC000459740273 434686113 /nfs/dbraw/zinc/68/61/13/434686113.db2.gz UAMYBWYZUOFJBY-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP OCC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411218576 434746548 /nfs/dbraw/zinc/74/65/48/434746548.db2.gz BTXXJARCCVXVIO-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440820301 434746748 /nfs/dbraw/zinc/74/67/48/434746748.db2.gz FKDKRIAYWIWXQN-GFCCVEGCSA-N 2 1 318.387 3.030 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000411220817 434748213 /nfs/dbraw/zinc/74/82/13/434748213.db2.gz TUBDKBLONURHPB-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP C[N@@H+](CCOCC1CCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000419225734 434755604 /nfs/dbraw/zinc/75/56/04/434755604.db2.gz HRIGQBPXQCAVOE-UHFFFAOYSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(C(C)(C)C)s1)CC[NH2+]CC2 ZINC000424373375 434715298 /nfs/dbraw/zinc/71/52/98/434715298.db2.gz GRNVMLASCIATAR-CYBMUJFWSA-N 2 1 307.507 3.405 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)s1 ZINC000424379938 434716208 /nfs/dbraw/zinc/71/62/08/434716208.db2.gz WETVANJPCWHGJK-IVZWLZJFSA-N 2 1 303.269 3.431 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424385677 434717164 /nfs/dbraw/zinc/71/71/64/434717164.db2.gz WIKXLZOWGJESKZ-INIZCTEOSA-N 2 1 324.472 3.349 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000459791891 434721184 /nfs/dbraw/zinc/72/11/84/434721184.db2.gz SBUBKTYBHSJQJZ-HOTGVXAUSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285642 434755178 /nfs/dbraw/zinc/75/51/78/434755178.db2.gz VJSRZJJMIAYHPW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cncs2)C1 ZINC000411285642 434755182 /nfs/dbraw/zinc/75/51/82/434755182.db2.gz VJSRZJJMIAYHPW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000411285642 434755184 /nfs/dbraw/zinc/75/51/84/434755184.db2.gz VJSRZJJMIAYHPW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cncs2)C1 ZINC000411285642 434755190 /nfs/dbraw/zinc/75/51/90/434755190.db2.gz VJSRZJJMIAYHPW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317465 434760474 /nfs/dbraw/zinc/76/04/74/434760474.db2.gz YMKYVFBSIURREN-ZYSHUDEJSA-N 2 1 302.437 3.489 20 0 DGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317465 434760477 /nfs/dbraw/zinc/76/04/77/434760477.db2.gz YMKYVFBSIURREN-ZYSHUDEJSA-N 2 1 302.437 3.489 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000361034483 434773869 /nfs/dbraw/zinc/77/38/69/434773869.db2.gz XJOALFYBLYNAOM-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000361034483 434773872 /nfs/dbraw/zinc/77/38/72/434773872.db2.gz XJOALFYBLYNAOM-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000442918661 434773989 /nfs/dbraw/zinc/77/39/89/434773989.db2.gz HRHFJHWDQGZUPS-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453061610 434788856 /nfs/dbraw/zinc/78/88/56/434788856.db2.gz LBDCNWYDGNICGN-IPMKNSEASA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453099510 434800876 /nfs/dbraw/zinc/80/08/76/434800876.db2.gz WCMRBVNOSDUUSO-FQEVSTJZSA-N 2 1 314.473 3.187 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414692134 297396212 /nfs/dbraw/zinc/39/62/12/297396212.db2.gz KUNXGBYVGJSAMY-SZVBFZGTSA-N 2 1 320.452 3.195 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453069293 434790603 /nfs/dbraw/zinc/79/06/03/434790603.db2.gz LVLJXIBBXOSRJP-GSEOLPGOSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)O ZINC000411778492 434828589 /nfs/dbraw/zinc/82/85/89/434828589.db2.gz CAEAQXCDVLVCOM-INIZCTEOSA-N 2 1 304.478 3.264 20 0 DGADMP C[C@H](c1cccnc1)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524230 434837627 /nfs/dbraw/zinc/83/76/27/434837627.db2.gz UMXDVOKIEIKWDY-MNEFBYGVSA-N 2 1 310.445 3.162 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1SC ZINC000372560303 434840134 /nfs/dbraw/zinc/84/01/34/434840134.db2.gz RRZHWPOSFNFPSL-GJZGRUSLSA-N 2 1 306.475 3.134 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1SC ZINC000372560303 434840138 /nfs/dbraw/zinc/84/01/38/434840138.db2.gz RRZHWPOSFNFPSL-GJZGRUSLSA-N 2 1 306.475 3.134 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453272374 434846590 /nfs/dbraw/zinc/84/65/90/434846590.db2.gz URWJZCZZNMYZBV-XHBSWPGZSA-N 2 1 314.832 3.176 20 0 DGADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411986605 434850793 /nfs/dbraw/zinc/85/07/93/434850793.db2.gz RPABKVFMYVJMGO-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411986605 434850795 /nfs/dbraw/zinc/85/07/95/434850795.db2.gz RPABKVFMYVJMGO-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411986605 434850797 /nfs/dbraw/zinc/85/07/97/434850797.db2.gz RPABKVFMYVJMGO-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc(O[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000411983401 434851659 /nfs/dbraw/zinc/85/16/59/434851659.db2.gz LPGNIOAXANGKMW-IBGZPJMESA-N 2 1 302.462 3.406 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000411983401 434851661 /nfs/dbraw/zinc/85/16/61/434851661.db2.gz LPGNIOAXANGKMW-IBGZPJMESA-N 2 1 302.462 3.406 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000521583104 434889428 /nfs/dbraw/zinc/88/94/28/434889428.db2.gz FCKFVFPIYPFLNK-NXHRZFHOSA-N 2 1 302.462 3.090 20 0 DGADMP CSc1ccc([C@@H](CNCc2nc(C)c(C)[nH]2)[NH+](C)C)cc1 ZINC000521669042 434892497 /nfs/dbraw/zinc/89/24/97/434892497.db2.gz RUQBPKCGDVLQKK-MRXNPFEDSA-N 2 1 318.490 3.141 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000637856648 434893872 /nfs/dbraw/zinc/89/38/72/434893872.db2.gz HGOCFCYJSIVGEA-MAUKXSAKSA-N 2 1 323.440 3.167 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637886986 434901998 /nfs/dbraw/zinc/90/19/98/434901998.db2.gz OAMDYJNUOWNKLU-QGZVFWFLSA-N 2 1 318.461 3.107 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637886986 434902001 /nfs/dbraw/zinc/90/20/01/434902001.db2.gz OAMDYJNUOWNKLU-QGZVFWFLSA-N 2 1 318.461 3.107 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000573105330 434874504 /nfs/dbraw/zinc/87/45/04/434874504.db2.gz BDWOBLYWZFQRRI-GTAWCEEGSA-N 3 1 315.505 3.147 20 0 DGADMP Cc1cnccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000573958480 434938998 /nfs/dbraw/zinc/93/89/98/434938998.db2.gz AINLXXMQXMKNQM-IBGZPJMESA-N 2 1 315.505 3.376 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463127362 434946848 /nfs/dbraw/zinc/94/68/48/434946848.db2.gz NAEGROZHUWZPPO-BHIYHBOVSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463127362 434946853 /nfs/dbraw/zinc/94/68/53/434946853.db2.gz NAEGROZHUWZPPO-BHIYHBOVSA-N 2 1 318.505 3.426 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890904 434952149 /nfs/dbraw/zinc/95/21/49/434952149.db2.gz ZSOHXFKZGFVHDJ-AZUAARDMSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890904 434952154 /nfs/dbraw/zinc/95/21/54/434952154.db2.gz ZSOHXFKZGFVHDJ-AZUAARDMSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890904 434952157 /nfs/dbraw/zinc/95/21/57/434952157.db2.gz ZSOHXFKZGFVHDJ-AZUAARDMSA-N 2 1 314.473 3.392 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128590 434959457 /nfs/dbraw/zinc/95/94/57/434959457.db2.gz UTYROTJOCOIISI-AWEZNQCLSA-N 2 1 324.440 3.007 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000524156150 434970833 /nfs/dbraw/zinc/97/08/33/434970833.db2.gz NKFWAPBAIZCQPG-CYBMUJFWSA-N 2 1 306.454 3.060 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000524156150 434970838 /nfs/dbraw/zinc/97/08/38/434970838.db2.gz NKFWAPBAIZCQPG-CYBMUJFWSA-N 2 1 306.454 3.060 20 0 DGADMP c1cnc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2n1 ZINC000638181801 434972459 /nfs/dbraw/zinc/97/24/59/434972459.db2.gz ODERSGRAPLOLEM-OXQOHEQNSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2n1 ZINC000638181801 434972464 /nfs/dbraw/zinc/97/24/64/434972464.db2.gz ODERSGRAPLOLEM-OXQOHEQNSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2n1 ZINC000638181801 434972466 /nfs/dbraw/zinc/97/24/66/434972466.db2.gz ODERSGRAPLOLEM-OXQOHEQNSA-N 2 1 322.456 3.079 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc(F)c2N)C1 ZINC000638372252 435015644 /nfs/dbraw/zinc/01/56/44/435015644.db2.gz VZHVKVBDUOLCJP-GASCZTMLSA-N 2 1 307.457 3.256 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)OC ZINC000638377370 435017072 /nfs/dbraw/zinc/01/70/72/435017072.db2.gz IDCJUYKCJROYAS-LJQANCHMSA-N 2 1 304.478 3.364 20 0 DGADMP CC[N@H+]1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2N)C1 ZINC000638382665 435019385 /nfs/dbraw/zinc/01/93/85/435019385.db2.gz YVVTXMWXFRCIMJ-JTQLQIEISA-N 2 1 302.249 3.007 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638382665 435019387 /nfs/dbraw/zinc/01/93/87/435019387.db2.gz YVVTXMWXFRCIMJ-JTQLQIEISA-N 2 1 302.249 3.007 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638382665 435019391 /nfs/dbraw/zinc/01/93/91/435019391.db2.gz YVVTXMWXFRCIMJ-JTQLQIEISA-N 2 1 302.249 3.007 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000638409680 435026035 /nfs/dbraw/zinc/02/60/35/435026035.db2.gz OIPBAVUITGHQNL-PKOBYXMFSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC(n3cccn3)C2)c1 ZINC000638433931 435030770 /nfs/dbraw/zinc/03/07/70/435030770.db2.gz FRFLWIOKHPFBTE-UHFFFAOYSA-N 2 1 312.461 3.217 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3Cl)CCCO1 ZINC000555760391 434986360 /nfs/dbraw/zinc/98/63/60/434986360.db2.gz ZWONCVRGIKULRV-KSSFIOAISA-N 2 1 322.880 3.418 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC[C@H]2CCO2)CC1)CC1CC1 ZINC000638277027 434995052 /nfs/dbraw/zinc/99/50/52/434995052.db2.gz WZKQGZZHBQCRPA-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000556094583 434996715 /nfs/dbraw/zinc/99/67/15/434996715.db2.gz XJENBUQDAVPURJ-FKSLSLAPSA-N 2 1 314.473 3.225 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000556094583 434996717 /nfs/dbraw/zinc/99/67/17/434996717.db2.gz XJENBUQDAVPURJ-FKSLSLAPSA-N 2 1 314.473 3.225 20 0 DGADMP CC(C)O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000638358815 435012497 /nfs/dbraw/zinc/01/24/97/435012497.db2.gz KLUNBGXGTZRMDM-LPHOPBHVSA-N 2 1 302.462 3.227 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000558423504 435090568 /nfs/dbraw/zinc/09/05/68/435090568.db2.gz LSEXDTFDFMZGPO-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000558423504 435090570 /nfs/dbraw/zinc/09/05/70/435090570.db2.gz LSEXDTFDFMZGPO-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000558423504 435090573 /nfs/dbraw/zinc/09/05/73/435090573.db2.gz LSEXDTFDFMZGPO-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H](CCO)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638660834 435065739 /nfs/dbraw/zinc/06/57/39/435065739.db2.gz WKJIQMBCBZFSID-XLIONFOSSA-N 2 1 318.505 3.285 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)[C@H]1c1cccs1 ZINC000638669769 435068187 /nfs/dbraw/zinc/06/81/87/435068187.db2.gz BHTGSMQXYKVFNN-INMHGKMJSA-N 2 1 308.491 3.290 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)[C@H]1c1cccs1 ZINC000638669769 435068191 /nfs/dbraw/zinc/06/81/91/435068191.db2.gz BHTGSMQXYKVFNN-INMHGKMJSA-N 2 1 308.491 3.290 20 0 DGADMP Cc1nc2ccccc2nc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638701879 435075287 /nfs/dbraw/zinc/07/52/87/435075287.db2.gz WNTYRHNRLUCTIH-MQVJKMGUSA-N 2 1 310.445 3.043 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638701879 435075290 /nfs/dbraw/zinc/07/52/90/435075290.db2.gz WNTYRHNRLUCTIH-MQVJKMGUSA-N 2 1 310.445 3.043 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638701879 435075294 /nfs/dbraw/zinc/07/52/94/435075294.db2.gz WNTYRHNRLUCTIH-MQVJKMGUSA-N 2 1 310.445 3.043 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719440 435075957 /nfs/dbraw/zinc/07/59/57/435075957.db2.gz PTFLXYGWQAKMNE-CMTQZCSUSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719440 435075961 /nfs/dbraw/zinc/07/59/61/435075961.db2.gz PTFLXYGWQAKMNE-CMTQZCSUSA-N 2 1 324.472 3.087 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638449032 435034421 /nfs/dbraw/zinc/03/44/21/435034421.db2.gz ZQALKEOTCIDKOB-QAPCUYQASA-N 2 1 322.518 3.365 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638449032 435034425 /nfs/dbraw/zinc/03/44/25/435034425.db2.gz ZQALKEOTCIDKOB-QAPCUYQASA-N 2 1 322.518 3.365 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638476460 435039805 /nfs/dbraw/zinc/03/98/05/435039805.db2.gz NUBHNAZWORWREW-WDYCEAGBSA-N 2 1 302.462 3.369 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638476460 435039808 /nfs/dbraw/zinc/03/98/08/435039808.db2.gz NUBHNAZWORWREW-WDYCEAGBSA-N 2 1 302.462 3.369 20 0 DGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639074429 435146211 /nfs/dbraw/zinc/14/62/11/435146211.db2.gz PDFNWOMMXLZASG-WDYCEAGBSA-N 2 1 302.462 3.369 20 0 DGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639074429 435146213 /nfs/dbraw/zinc/14/62/13/435146213.db2.gz PDFNWOMMXLZASG-WDYCEAGBSA-N 2 1 302.462 3.369 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639081193 435148030 /nfs/dbraw/zinc/14/80/30/435148030.db2.gz FAEMYXKBBZCJRQ-GOSISDBHSA-N 2 1 313.489 3.073 20 0 DGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000474475153 435149135 /nfs/dbraw/zinc/14/91/35/435149135.db2.gz IBKRSGDKZNOUFB-SOLBZPMBSA-N 2 1 324.509 3.208 20 0 DGADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000578617076 435096466 /nfs/dbraw/zinc/09/64/66/435096466.db2.gz RVCJRRYCQKIMFB-XUVXKRRUSA-N 2 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000578617076 435096468 /nfs/dbraw/zinc/09/64/68/435096468.db2.gz RVCJRRYCQKIMFB-XUVXKRRUSA-N 3 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000578617076 435096473 /nfs/dbraw/zinc/09/64/73/435096473.db2.gz RVCJRRYCQKIMFB-XUVXKRRUSA-N 3 1 315.505 3.019 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC000558571613 435098542 /nfs/dbraw/zinc/09/85/42/435098542.db2.gz JBSQGTRZWSFTLF-CMKODMSKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000558571613 435098550 /nfs/dbraw/zinc/09/85/50/435098550.db2.gz JBSQGTRZWSFTLF-CMKODMSKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000558571613 435098556 /nfs/dbraw/zinc/09/85/56/435098556.db2.gz JBSQGTRZWSFTLF-CMKODMSKSA-N 2 1 317.521 3.215 20 0 DGADMP CO[C@](C)(C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000638853314 435104055 /nfs/dbraw/zinc/10/40/55/435104055.db2.gz DXJRIKWINWDWAV-LJQANCHMSA-N 2 1 304.478 3.432 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639089691 435149679 /nfs/dbraw/zinc/14/96/79/435149679.db2.gz BPUAUVIOCMPOPT-HIRMHNASSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639089691 435149683 /nfs/dbraw/zinc/14/96/83/435149683.db2.gz BPUAUVIOCMPOPT-HIRMHNASSA-N 2 1 302.462 3.368 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000531722034 435113953 /nfs/dbraw/zinc/11/39/53/435113953.db2.gz YGPGLAPFIMIFDK-MJGOQNOKSA-N 3 1 309.542 3.349 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000578997510 435125613 /nfs/dbraw/zinc/12/56/13/435125613.db2.gz HAEGMMSESHBSMC-NLWGTHIKSA-N 2 1 318.505 3.109 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000559310713 435128480 /nfs/dbraw/zinc/12/84/80/435128480.db2.gz BRJIXBGJANKSQY-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000559310713 435128486 /nfs/dbraw/zinc/12/84/86/435128486.db2.gz BRJIXBGJANKSQY-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000559310713 435128489 /nfs/dbraw/zinc/12/84/89/435128489.db2.gz BRJIXBGJANKSQY-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP CC1(C)CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531976496 435130946 /nfs/dbraw/zinc/13/09/46/435130946.db2.gz PYZGMHIMZVIMAY-QUCCMNQESA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531976496 435130950 /nfs/dbraw/zinc/13/09/50/435130950.db2.gz PYZGMHIMZVIMAY-QUCCMNQESA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639038104 435132901 /nfs/dbraw/zinc/13/29/01/435132901.db2.gz OSWUURMUWVIDEN-QRFRQXIXSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639038104 435132903 /nfs/dbraw/zinc/13/29/03/435132903.db2.gz OSWUURMUWVIDEN-QRFRQXIXSA-N 2 1 314.473 3.371 20 0 DGADMP OC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639059801 435139834 /nfs/dbraw/zinc/13/98/34/435139834.db2.gz BYLKHQQTXJAOBQ-LNXHZJMOSA-N 2 1 314.473 3.248 20 0 DGADMP OC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639059801 435139837 /nfs/dbraw/zinc/13/98/37/435139837.db2.gz BYLKHQQTXJAOBQ-LNXHZJMOSA-N 2 1 314.473 3.248 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000559916188 435143304 /nfs/dbraw/zinc/14/33/04/435143304.db2.gz RXTPSYMHGIGADQ-JKSUJKDBSA-N 2 1 305.466 3.109 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000559916188 435143306 /nfs/dbraw/zinc/14/33/06/435143306.db2.gz RXTPSYMHGIGADQ-JKSUJKDBSA-N 2 1 305.466 3.109 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000474053736 435144611 /nfs/dbraw/zinc/14/46/11/435144611.db2.gz MTFIBZVMVCPPHC-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075261 435145687 /nfs/dbraw/zinc/14/56/87/435145687.db2.gz GTGRSIIKXAXUCJ-MDNKFWRPSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075261 435145691 /nfs/dbraw/zinc/14/56/91/435145691.db2.gz GTGRSIIKXAXUCJ-MDNKFWRPSA-N 2 1 314.473 3.248 20 0 DGADMP OCCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639074850 435145698 /nfs/dbraw/zinc/14/56/98/435145698.db2.gz CTHFCLIPQZLAFT-IEBWSBKVSA-N 2 1 314.473 3.107 20 0 DGADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639074850 435145699 /nfs/dbraw/zinc/14/56/99/435145699.db2.gz CTHFCLIPQZLAFT-IEBWSBKVSA-N 2 1 314.473 3.107 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2nccnc2c1 ZINC000639176775 435184041 /nfs/dbraw/zinc/18/40/41/435184041.db2.gz KBSHEUQAWBHGEE-UHFFFAOYSA-N 2 1 323.444 3.301 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639176775 435184046 /nfs/dbraw/zinc/18/40/46/435184046.db2.gz KBSHEUQAWBHGEE-UHFFFAOYSA-N 2 1 323.444 3.301 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475271367 435185685 /nfs/dbraw/zinc/18/56/85/435185685.db2.gz WNGCWSITMLUDKE-HSALFYBXSA-N 2 1 316.489 3.303 20 0 DGADMP COCC1(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CCC1 ZINC000639180282 435186675 /nfs/dbraw/zinc/18/66/75/435186675.db2.gz XJAYAZZMIXPRCU-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP COCC1(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CCC1 ZINC000639180282 435186678 /nfs/dbraw/zinc/18/66/78/435186678.db2.gz XJAYAZZMIXPRCU-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP COC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000475337810 435192350 /nfs/dbraw/zinc/19/23/50/435192350.db2.gz QQPVZALLSTWRMT-KDURUIRLSA-N 2 1 314.473 3.009 20 0 DGADMP COC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000475337810 435192355 /nfs/dbraw/zinc/19/23/55/435192355.db2.gz QQPVZALLSTWRMT-KDURUIRLSA-N 2 1 314.473 3.009 20 0 DGADMP COC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000475337810 435192358 /nfs/dbraw/zinc/19/23/58/435192358.db2.gz QQPVZALLSTWRMT-KDURUIRLSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639192497 435193727 /nfs/dbraw/zinc/19/37/27/435193727.db2.gz BPUAUVIOCMPOPT-RRIFGTCXSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639192497 435193731 /nfs/dbraw/zinc/19/37/31/435193731.db2.gz BPUAUVIOCMPOPT-RRIFGTCXSA-N 2 1 302.462 3.368 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025390 435204886 /nfs/dbraw/zinc/20/48/86/435204886.db2.gz IHXXUCDPIRBTOM-MOPGFXCFSA-N 2 1 322.456 3.060 20 0 DGADMP C[C@H]1CC[N@H+](CCN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240700 435151080 /nfs/dbraw/zinc/15/10/80/435151080.db2.gz OAEHNMSYQHSWHO-XJKSGUPXSA-N 2 1 308.853 3.485 20 0 DGADMP C[C@H]1CC[N@@H+](CCN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240700 435151084 /nfs/dbraw/zinc/15/10/84/435151084.db2.gz OAEHNMSYQHSWHO-XJKSGUPXSA-N 2 1 308.853 3.485 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000579369453 435151247 /nfs/dbraw/zinc/15/12/47/435151247.db2.gz CVBJPHNWDBKZNV-UHFFFAOYSA-N 2 1 309.360 3.086 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000579369453 435151249 /nfs/dbraw/zinc/15/12/49/435151249.db2.gz CVBJPHNWDBKZNV-UHFFFAOYSA-N 2 1 309.360 3.086 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000532450167 435166364 /nfs/dbraw/zinc/16/63/64/435166364.db2.gz TUOHOWNBAIRWES-BJLQDIEVSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)c1[nH+]c(CNCC[NH+]2CCC(C)CC2)c2ccccn21 ZINC000579601023 435167499 /nfs/dbraw/zinc/16/74/99/435167499.db2.gz VEZYVGJINYSXOX-UHFFFAOYSA-N 2 1 314.477 3.279 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000579601182 435167627 /nfs/dbraw/zinc/16/76/27/435167627.db2.gz BQQNBXOAIAHEIG-OAHLLOKOSA-N 2 1 302.466 3.278 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(C(F)F)nc3)C2)CC1 ZINC000639176793 435183597 /nfs/dbraw/zinc/18/35/97/435183597.db2.gz KVHSVIRXOJOSOO-OAHLLOKOSA-N 2 1 309.404 3.183 20 0 DGADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000561434564 435218625 /nfs/dbraw/zinc/21/86/25/435218625.db2.gz JBMWWLHMPZHTJM-JTQLQIEISA-N 2 1 308.223 3.359 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000533307876 435222258 /nfs/dbraw/zinc/22/22/58/435222258.db2.gz UIHVXNIQFTYXGI-INIZCTEOSA-N 2 1 300.450 3.021 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533307876 435222263 /nfs/dbraw/zinc/22/22/63/435222263.db2.gz UIHVXNIQFTYXGI-INIZCTEOSA-N 2 1 300.450 3.021 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533307876 435222266 /nfs/dbraw/zinc/22/22/66/435222266.db2.gz UIHVXNIQFTYXGI-INIZCTEOSA-N 2 1 300.450 3.021 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000580208391 435212208 /nfs/dbraw/zinc/21/22/08/435212208.db2.gz BFXHVUVKNHDGOJ-DLBZAZTESA-N 2 1 319.836 3.126 20 0 DGADMP OCC1(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639245930 435213209 /nfs/dbraw/zinc/21/32/09/435213209.db2.gz OGUWOBPKFHKFKR-PKOBYXMFSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639245930 435213212 /nfs/dbraw/zinc/21/32/12/435213212.db2.gz OGUWOBPKFHKFKR-PKOBYXMFSA-N 2 1 314.473 3.107 20 0 DGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639327195 435247371 /nfs/dbraw/zinc/24/73/71/435247371.db2.gz LPZLCPNAKGTBFH-QGZVFWFLSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639327195 435247375 /nfs/dbraw/zinc/24/73/75/435247375.db2.gz LPZLCPNAKGTBFH-QGZVFWFLSA-N 2 1 303.494 3.223 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CS1 ZINC000639360277 435264932 /nfs/dbraw/zinc/26/49/32/435264932.db2.gz UQYMCUWIZHAXRX-AHCXZYCDSA-N 2 1 304.503 3.238 20 0 DGADMP COCC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000639360375 435265434 /nfs/dbraw/zinc/26/54/34/435265434.db2.gz WBQXEKHEWYTONG-HKUYNNGSSA-N 2 1 316.489 3.161 20 0 DGADMP Fc1cnccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000648357778 435274208 /nfs/dbraw/zinc/27/42/08/435274208.db2.gz CEBQLWZNYAFJKP-UHFFFAOYSA-N 2 1 305.441 3.309 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000477910053 435282707 /nfs/dbraw/zinc/28/27/07/435282707.db2.gz DPPPXHAXJZAOAY-HNNXBMFYSA-N 2 1 320.477 3.476 20 0 DGADMP Cc1ccc(CCC[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)cn1 ZINC000639398319 435284529 /nfs/dbraw/zinc/28/45/29/435284529.db2.gz OVWPFWXWFYKTNC-HNNXBMFYSA-N 2 1 309.413 3.165 20 0 DGADMP Cc1ccc(CCC[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)cn1 ZINC000639398319 435284533 /nfs/dbraw/zinc/28/45/33/435284533.db2.gz OVWPFWXWFYKTNC-HNNXBMFYSA-N 2 1 309.413 3.165 20 0 DGADMP COc1cc(C[N@H+](C)[C@H]2CN3CCC2CC3)ccc1OC(C)C ZINC000639397729 435285840 /nfs/dbraw/zinc/28/58/40/435285840.db2.gz ONGWPHQGEQRBNB-KRWDZBQOSA-N 2 1 318.461 3.008 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CN3CCC2CC3)ccc1OC(C)C ZINC000639397729 435285847 /nfs/dbraw/zinc/28/58/47/435285847.db2.gz ONGWPHQGEQRBNB-KRWDZBQOSA-N 2 1 318.461 3.008 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000639515557 435325999 /nfs/dbraw/zinc/32/59/99/435325999.db2.gz UFDRLYULMZBMKF-XEYPJELSSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515557 435326003 /nfs/dbraw/zinc/32/60/03/435326003.db2.gz UFDRLYULMZBMKF-XEYPJELSSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515557 435326006 /nfs/dbraw/zinc/32/60/06/435326006.db2.gz UFDRLYULMZBMKF-XEYPJELSSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515557 435326012 /nfs/dbraw/zinc/32/60/12/435326012.db2.gz UFDRLYULMZBMKF-XEYPJELSSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000639515557 435326016 /nfs/dbraw/zinc/32/60/16/435326016.db2.gz UFDRLYULMZBMKF-XEYPJELSSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000643456337 435328005 /nfs/dbraw/zinc/32/80/05/435328005.db2.gz QKQMGOWUZOZCBZ-CABCVRRESA-N 2 1 316.367 3.125 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000643456548 435328099 /nfs/dbraw/zinc/32/80/99/435328099.db2.gz DHWSGHVOJUZSEG-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643472457 435332316 /nfs/dbraw/zinc/33/23/16/435332316.db2.gz ABRLIJHJQVQEOI-GOEBONIOSA-N 2 1 305.466 3.107 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530640 435333424 /nfs/dbraw/zinc/33/34/24/435333424.db2.gz FZXRKMSJKWOVSR-FUHWJXTLSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639530640 435333427 /nfs/dbraw/zinc/33/34/27/435333427.db2.gz FZXRKMSJKWOVSR-FUHWJXTLSA-N 2 1 302.462 3.008 20 0 DGADMP Fc1cc2c(c(F)c1)CC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000643498201 435336675 /nfs/dbraw/zinc/33/66/75/435336675.db2.gz UWOJRBLEDKFOHR-GOSISDBHSA-N 2 1 317.383 3.117 20 0 DGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000643498201 435336681 /nfs/dbraw/zinc/33/66/81/435336681.db2.gz UWOJRBLEDKFOHR-GOSISDBHSA-N 2 1 317.383 3.117 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000567628872 435337760 /nfs/dbraw/zinc/33/77/60/435337760.db2.gz GQPDWRSPTOVJSG-ACJLOTCBSA-N 2 1 306.425 3.217 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CC2)c(F)c1 ZINC000567628872 435337764 /nfs/dbraw/zinc/33/77/64/435337764.db2.gz GQPDWRSPTOVJSG-ACJLOTCBSA-N 2 1 306.425 3.217 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000567662326 435339919 /nfs/dbraw/zinc/33/99/19/435339919.db2.gz HWIVDTSSANFFKY-SJORKVTESA-N 2 1 315.486 3.358 20 0 DGADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1F ZINC000643506930 435340022 /nfs/dbraw/zinc/34/00/22/435340022.db2.gz MUZCLIUBMDDUAC-WBVHZDCISA-N 2 1 306.425 3.202 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000643527380 435342900 /nfs/dbraw/zinc/34/29/00/435342900.db2.gz LWQCEHJLXXDWIT-ZDMBXUJBSA-N 2 1 315.280 3.169 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000643529083 435343350 /nfs/dbraw/zinc/34/33/50/435343350.db2.gz UOEFCMCAEPSCND-UONOGXRCSA-N 2 1 302.393 3.403 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCS2 ZINC000643547478 435348392 /nfs/dbraw/zinc/34/83/92/435348392.db2.gz FZMFQJMQKYSHEA-CZUORRHYSA-N 2 1 318.486 3.496 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547915 435349457 /nfs/dbraw/zinc/34/94/57/435349457.db2.gz KUWISIGHVIUTMN-HOTGVXAUSA-N 2 1 308.853 3.292 20 0 DGADMP CCn1nc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000535813254 435357460 /nfs/dbraw/zinc/35/74/60/435357460.db2.gz XFJCIMRTFTXGDJ-UHFFFAOYSA-N 2 1 306.498 3.072 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCc3nsc4ccccc43)C2)CC1 ZINC000639756557 435408915 /nfs/dbraw/zinc/40/89/15/435408915.db2.gz WXJBAKURDOPMIC-UHFFFAOYSA-N 2 1 315.486 3.257 20 0 DGADMP COc1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc21 ZINC000639611804 435366261 /nfs/dbraw/zinc/36/62/61/435366261.db2.gz DSMKUAPJXSWEME-MRXNPFEDSA-N 2 1 313.445 3.160 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc21 ZINC000639611804 435366265 /nfs/dbraw/zinc/36/62/65/435366265.db2.gz DSMKUAPJXSWEME-MRXNPFEDSA-N 2 1 313.445 3.160 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000512895064 435373078 /nfs/dbraw/zinc/37/30/78/435373078.db2.gz NMYUJAYRQFNJLZ-IEBWSBKVSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000639656392 435380819 /nfs/dbraw/zinc/38/08/19/435380819.db2.gz ZUMXRXOLSDKHTO-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000639656392 435380822 /nfs/dbraw/zinc/38/08/22/435380822.db2.gz ZUMXRXOLSDKHTO-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639656392 435380828 /nfs/dbraw/zinc/38/08/28/435380828.db2.gz ZUMXRXOLSDKHTO-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639656392 435380831 /nfs/dbraw/zinc/38/08/31/435380831.db2.gz ZUMXRXOLSDKHTO-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP CC(C)c1[nH+]c(CNCCC[N@H+](C)C(C)C)c2ccccn21 ZINC000568030134 435381849 /nfs/dbraw/zinc/38/18/49/435381849.db2.gz JQWDERHURYFKRA-UHFFFAOYSA-N 2 1 302.466 3.278 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513239065 435383212 /nfs/dbraw/zinc/38/32/12/435383212.db2.gz UBNJFOOVCBNFOG-FFZOFVMBSA-N 2 1 318.505 3.426 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513239065 435383219 /nfs/dbraw/zinc/38/32/19/435383219.db2.gz UBNJFOOVCBNFOG-FFZOFVMBSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)CO[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000639659901 435384553 /nfs/dbraw/zinc/38/45/53/435384553.db2.gz DFXPOKJNAKLXRJ-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C2CC2)c1 ZINC000513393477 435386223 /nfs/dbraw/zinc/38/62/23/435386223.db2.gz GLENAUGHPMHMHR-FQEVSTJZSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C2CC2)c1 ZINC000513393477 435386230 /nfs/dbraw/zinc/38/62/30/435386230.db2.gz GLENAUGHPMHMHR-FQEVSTJZSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCOc3ccccc31)CC[NH2+]CC2 ZINC000643973784 435388691 /nfs/dbraw/zinc/38/86/91/435388691.db2.gz QCYVEBZRMZIEFB-HZPDHXFCSA-N 2 1 300.446 3.017 20 0 DGADMP Fc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000639681987 435392078 /nfs/dbraw/zinc/39/20/78/435392078.db2.gz DFEQUCMISKLGOC-UHFFFAOYSA-N 2 1 303.356 3.072 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccn2C)C[N@H+]1Cc1ccccc1 ZINC000513544086 435394944 /nfs/dbraw/zinc/39/49/44/435394944.db2.gz CVXBXELYMARMOH-MJGOQNOKSA-N 2 1 311.473 3.415 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000514877311 435445595 /nfs/dbraw/zinc/44/55/95/435445595.db2.gz HSZUFMOPZXPKJU-MSOLQXFVSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000514877311 435445600 /nfs/dbraw/zinc/44/56/00/435445600.db2.gz HSZUFMOPZXPKJU-MSOLQXFVSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000514877311 435445605 /nfs/dbraw/zinc/44/56/05/435445605.db2.gz HSZUFMOPZXPKJU-MSOLQXFVSA-N 2 1 306.494 3.142 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)CC12CCCCC2 ZINC000568540857 435447390 /nfs/dbraw/zinc/44/73/90/435447390.db2.gz RUGHGFKVNITLEI-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)CC12CCCCC2 ZINC000568540857 435447394 /nfs/dbraw/zinc/44/73/94/435447394.db2.gz RUGHGFKVNITLEI-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)CC12CCCCC2 ZINC000568540857 435447398 /nfs/dbraw/zinc/44/73/98/435447398.db2.gz RUGHGFKVNITLEI-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000515050088 435459225 /nfs/dbraw/zinc/45/92/25/435459225.db2.gz BIBQLBMUOFBJJS-AWEZNQCLSA-N 2 1 300.368 3.091 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCCC(C)(C)C1 ZINC000537691592 435463000 /nfs/dbraw/zinc/46/30/00/435463000.db2.gz ACXZIRIGQPWYAL-BSDSXHPESA-N 2 1 308.510 3.386 20 0 DGADMP CCC(CC)(C[NH2+]CC1(O)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000515166372 435465920 /nfs/dbraw/zinc/46/59/20/435465920.db2.gz MXCXBCRATMDNAM-INIZCTEOSA-N 2 1 304.478 3.401 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482566336 435471626 /nfs/dbraw/zinc/47/16/26/435471626.db2.gz MMRBBBWRWWCGGL-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000537971785 435478531 /nfs/dbraw/zinc/47/85/31/435478531.db2.gz GZODGQWESOKVSP-CRAIPNDOSA-N 2 1 304.478 3.293 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000482686997 435478937 /nfs/dbraw/zinc/47/89/37/435478937.db2.gz XEZATWSHCUAURB-OALUTQOASA-N 2 1 310.526 3.227 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000568472844 435439110 /nfs/dbraw/zinc/43/91/10/435439110.db2.gz FNDZVRUENDFUSN-VXNCWWDNSA-N 2 1 304.478 3.443 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000516048951 435510521 /nfs/dbraw/zinc/51/05/21/435510521.db2.gz SHWGAPHMGGCISI-QWFCFKBJSA-N 2 1 318.505 3.395 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000483713785 435528042 /nfs/dbraw/zinc/52/80/42/435528042.db2.gz OUOURCIFAXUUAM-HLLBOEOZSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000483713785 435528045 /nfs/dbraw/zinc/52/80/45/435528045.db2.gz OUOURCIFAXUUAM-HLLBOEOZSA-N 2 1 321.896 3.239 20 0 DGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000482891975 435486355 /nfs/dbraw/zinc/48/63/55/435486355.db2.gz SQBZONUECYUSMH-XYJFISCASA-N 2 1 319.493 3.325 20 0 DGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000482891975 435486358 /nfs/dbraw/zinc/48/63/58/435486358.db2.gz SQBZONUECYUSMH-XYJFISCASA-N 2 1 319.493 3.325 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085601 435493744 /nfs/dbraw/zinc/49/37/44/435493744.db2.gz GUAZVRNVDXSDTG-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085601 435493750 /nfs/dbraw/zinc/49/37/50/435493750.db2.gz GUAZVRNVDXSDTG-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085601 435493767 /nfs/dbraw/zinc/49/37/67/435493767.db2.gz GUAZVRNVDXSDTG-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000483085601 435493772 /nfs/dbraw/zinc/49/37/72/435493772.db2.gz GUAZVRNVDXSDTG-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724157 435556180 /nfs/dbraw/zinc/55/61/80/435556180.db2.gz ZMLXFPMVTGMESM-UWJYYQICSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569724157 435556184 /nfs/dbraw/zinc/55/61/84/435556184.db2.gz ZMLXFPMVTGMESM-UWJYYQICSA-N 2 1 323.484 3.146 20 0 DGADMP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484910310 435556547 /nfs/dbraw/zinc/55/65/47/435556547.db2.gz XOHBFCHZXYIJKW-KZNAEPCWSA-N 2 1 322.880 3.019 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCSC4)C[C@H]3C2)cc1 ZINC000517022874 435569460 /nfs/dbraw/zinc/56/94/60/435569460.db2.gz HNRSQRCYPJCPSJ-IPMKNSEASA-N 2 1 316.514 3.193 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850746 435577130 /nfs/dbraw/zinc/57/71/30/435577130.db2.gz HWFYKASUZXQXMD-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850746 435577134 /nfs/dbraw/zinc/57/71/34/435577134.db2.gz HWFYKASUZXQXMD-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000539850746 435577136 /nfs/dbraw/zinc/57/71/36/435577136.db2.gz HWFYKASUZXQXMD-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000539850746 435577139 /nfs/dbraw/zinc/57/71/39/435577139.db2.gz HWFYKASUZXQXMD-SFHVURJKSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCCc1cncn1C ZINC000569985744 435577931 /nfs/dbraw/zinc/57/79/31/435577931.db2.gz RNBHWCQXDKLCRS-ZIAGYGMSSA-N 2 1 301.409 3.500 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000649413610 435580155 /nfs/dbraw/zinc/58/01/55/435580155.db2.gz QESLWRZMSLAXOH-FQEVSTJZSA-N 2 1 315.505 3.367 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649407772 435580507 /nfs/dbraw/zinc/58/05/07/435580507.db2.gz UFWYPIWTAJJXRC-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649407772 435580510 /nfs/dbraw/zinc/58/05/10/435580510.db2.gz UFWYPIWTAJJXRC-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000649412222 435581328 /nfs/dbraw/zinc/58/13/28/435581328.db2.gz XRMRXNMATIWJJL-FQEVSTJZSA-N 3 1 321.553 3.354 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000540188835 435593629 /nfs/dbraw/zinc/59/36/29/435593629.db2.gz PLFVWPYNYOIERQ-RISCZKNCSA-N 2 1 301.261 3.466 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000540285848 435596020 /nfs/dbraw/zinc/59/60/20/435596020.db2.gz QNPRKBQCKFJBSE-ZBFHGGJFSA-N 2 1 306.413 3.232 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1ccccc1 ZINC000640530111 435598989 /nfs/dbraw/zinc/59/89/89/435598989.db2.gz ACRJOHBPRDXWLL-UHFFFAOYSA-N 2 1 317.477 3.213 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000517554333 435599799 /nfs/dbraw/zinc/59/97/99/435599799.db2.gz VIAQTOXPOMEZML-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000517537236 435600535 /nfs/dbraw/zinc/60/05/35/435600535.db2.gz MLZPZMOVVQLVKI-IRXDYDNUSA-N 2 1 314.473 3.420 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813520 435653122 /nfs/dbraw/zinc/65/31/22/435653122.db2.gz QJCOPQGYEBFVAH-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813520 435653130 /nfs/dbraw/zinc/65/31/30/435653130.db2.gz QJCOPQGYEBFVAH-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813520 435653132 /nfs/dbraw/zinc/65/31/32/435653132.db2.gz QJCOPQGYEBFVAH-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813520 435653138 /nfs/dbraw/zinc/65/31/38/435653138.db2.gz QJCOPQGYEBFVAH-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106347 435678697 /nfs/dbraw/zinc/67/86/97/435678697.db2.gz GJDUQBCECCFUEZ-RBUKOAKNSA-N 2 1 316.489 3.305 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC000645786830 435689620 /nfs/dbraw/zinc/68/96/20/435689620.db2.gz DGMSBLJHLXXHKL-RBUKOAKNSA-N 2 1 308.510 3.247 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC000645786829 435689922 /nfs/dbraw/zinc/68/99/22/435689922.db2.gz DGMSBLJHLXXHKL-OALUTQOASA-N 2 1 308.510 3.247 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC[C@@H]3CCOC3)C2)CC1 ZINC000645786831 435690627 /nfs/dbraw/zinc/69/06/27/435690627.db2.gz DGMSBLJHLXXHKL-RTBURBONSA-N 2 1 308.510 3.247 20 0 DGADMP C(C[C@@H]1CCOC1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000645792136 435691871 /nfs/dbraw/zinc/69/18/71/435691871.db2.gz VPEJNNYWRYZRAC-RTBURBONSA-N 2 1 308.510 3.391 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668424 435696384 /nfs/dbraw/zinc/69/63/84/435696384.db2.gz IUJXPKUGZJXNKG-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668424 435696392 /nfs/dbraw/zinc/69/63/92/435696392.db2.gz IUJXPKUGZJXNKG-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000519668424 435696400 /nfs/dbraw/zinc/69/64/00/435696400.db2.gz IUJXPKUGZJXNKG-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000519668424 435696402 /nfs/dbraw/zinc/69/64/02/435696402.db2.gz IUJXPKUGZJXNKG-GOEBONIOSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@@H+](CCC[C@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000645810958 435697759 /nfs/dbraw/zinc/69/77/59/435697759.db2.gz NABHGMDPGJWJJT-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@H]1CCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000645810958 435697763 /nfs/dbraw/zinc/69/77/63/435697763.db2.gz NABHGMDPGJWJJT-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000645810958 435697769 /nfs/dbraw/zinc/69/77/69/435697769.db2.gz NABHGMDPGJWJJT-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1cnc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000645808605 435694167 /nfs/dbraw/zinc/69/41/67/435694167.db2.gz ZUDVVRWBJIOMBS-GOSISDBHSA-N 2 1 301.478 3.049 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000571368137 435701585 /nfs/dbraw/zinc/70/15/85/435701585.db2.gz QDMDSFBKCZKMJE-IKGGRYGDSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000571368137 435701589 /nfs/dbraw/zinc/70/15/89/435701589.db2.gz QDMDSFBKCZKMJE-IKGGRYGDSA-N 2 1 306.498 3.156 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701072 435701651 /nfs/dbraw/zinc/70/16/51/435701651.db2.gz CNFSBCPHPDTEMV-RISCZKNCSA-N 2 1 305.809 3.307 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701072 435701653 /nfs/dbraw/zinc/70/16/53/435701653.db2.gz CNFSBCPHPDTEMV-RISCZKNCSA-N 2 1 305.809 3.307 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571394868 435702883 /nfs/dbraw/zinc/70/28/83/435702883.db2.gz RQQUNTCNVGPCIW-GRDNDAEWSA-N 2 1 309.885 3.192 20 0 DGADMP Fc1cccc(F)c1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000645837833 435703157 /nfs/dbraw/zinc/70/31/57/435703157.db2.gz GRLVTLHKUAVOPS-KUHUBIRLSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1cccc(F)c1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000645837833 435703171 /nfs/dbraw/zinc/70/31/71/435703171.db2.gz GRLVTLHKUAVOPS-KUHUBIRLSA-N 2 1 320.427 3.456 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894298 435733946 /nfs/dbraw/zinc/73/39/46/435733946.db2.gz HJZNDRWFNGKYAM-CQSZACIVSA-N 2 1 301.409 3.383 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894298 435733954 /nfs/dbraw/zinc/73/39/54/435733954.db2.gz HJZNDRWFNGKYAM-CQSZACIVSA-N 2 1 301.409 3.383 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894298 435733959 /nfs/dbraw/zinc/73/39/59/435733959.db2.gz HJZNDRWFNGKYAM-CQSZACIVSA-N 2 1 301.409 3.383 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655703874 435735333 /nfs/dbraw/zinc/73/53/33/435735333.db2.gz XHHXMMIRUSAXKV-VQIMIIECSA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655703874 435735338 /nfs/dbraw/zinc/73/53/38/435735338.db2.gz XHHXMMIRUSAXKV-VQIMIIECSA-N 2 1 324.472 3.348 20 0 DGADMP c1ccc2c(c1)cccc2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655703400 435736706 /nfs/dbraw/zinc/73/67/06/435736706.db2.gz GEBDCBRURUVYMU-IBGZPJMESA-N 2 1 310.441 3.183 20 0 DGADMP Clc1ccccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655704037 435737931 /nfs/dbraw/zinc/73/79/31/435737931.db2.gz YWSNWQHMFOLZQH-KRWDZBQOSA-N 2 1 322.880 3.116 20 0 DGADMP Cc1cc(C)cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655715667 435742703 /nfs/dbraw/zinc/74/27/03/435742703.db2.gz NBLIYRWXMMZGEX-HXUWFJFHSA-N 2 1 316.489 3.079 20 0 DGADMP C[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655710893 435743958 /nfs/dbraw/zinc/74/39/58/435743958.db2.gz GUPKIYVEZSAHKU-APWZRJJASA-N 2 1 302.462 3.023 20 0 DGADMP CO[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000549350450 435756912 /nfs/dbraw/zinc/75/69/12/435756912.db2.gz XBLPPFRVOAGKFN-IBGZPJMESA-N 2 1 304.478 3.426 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000651682074 435789058 /nfs/dbraw/zinc/78/90/58/435789058.db2.gz LFTUTGJSWBFBMH-UHFFFAOYSA-N 2 1 323.444 3.174 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655774689 435790077 /nfs/dbraw/zinc/79/00/77/435790077.db2.gz ZWXQZCJFXXMDOS-ZHALLVOQSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3N)cc2)C1 ZINC000641707312 435792469 /nfs/dbraw/zinc/79/24/69/435792469.db2.gz IZSOVUGFVUJOJV-INIZCTEOSA-N 2 1 324.472 3.186 20 0 DGADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c(-c2ccccc2)n1 ZINC000641708533 435793517 /nfs/dbraw/zinc/79/35/17/435793517.db2.gz TXWPCSFHLBNALA-INIZCTEOSA-N 2 1 312.461 3.001 20 0 DGADMP CCn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641707414 435794177 /nfs/dbraw/zinc/79/41/77/435794177.db2.gz LDGZOOCUOVFYLB-MRXNPFEDSA-N 2 1 324.472 3.144 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000550142846 435795271 /nfs/dbraw/zinc/79/52/71/435795271.db2.gz KCMTVHNZJHLSNZ-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000550142846 435795278 /nfs/dbraw/zinc/79/52/78/435795278.db2.gz KCMTVHNZJHLSNZ-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)CC1 ZINC000550200251 435798056 /nfs/dbraw/zinc/79/80/56/435798056.db2.gz CKYAZHJZTUPEJZ-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP CCn1cc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733177 435801905 /nfs/dbraw/zinc/80/19/05/435801905.db2.gz GRVBVFVJQVGYJY-MAUKXSAKSA-N 2 1 324.472 3.285 20 0 DGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000550606555 435807820 /nfs/dbraw/zinc/80/78/20/435807820.db2.gz XCPCNQBZDLATEU-RTBURBONSA-N 2 1 315.505 3.286 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000550885043 435814014 /nfs/dbraw/zinc/81/40/14/435814014.db2.gz CBXCYPBCTMJRNB-XLIONFOSSA-N 2 1 314.473 3.496 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000550885043 435814019 /nfs/dbraw/zinc/81/40/19/435814019.db2.gz CBXCYPBCTMJRNB-XLIONFOSSA-N 2 1 314.473 3.496 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1COc2ccccc2C1 ZINC000551004750 435817020 /nfs/dbraw/zinc/81/70/20/435817020.db2.gz FEPIVWCJJHNHPV-WMZOPIPTSA-N 2 1 302.462 3.234 20 0 DGADMP COC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(C(F)(F)F)c1 ZINC000520792894 435773899 /nfs/dbraw/zinc/77/38/99/435773899.db2.gz VCCIZQAYFJDJEO-OAHLLOKOSA-N 2 1 318.383 3.371 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)C[NH+](C)C ZINC000491596953 435777626 /nfs/dbraw/zinc/77/76/26/435777626.db2.gz PNFGYOVTXDSKTA-MRXNPFEDSA-N 2 1 312.461 3.137 20 0 DGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000655758637 435780721 /nfs/dbraw/zinc/78/07/21/435780721.db2.gz CCINAZYSXCLAMR-MJGOQNOKSA-N 2 1 316.489 3.381 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C\c1ccc(Cl)cc1)CCO2 ZINC000646106297 435780781 /nfs/dbraw/zinc/78/07/81/435780781.db2.gz SYMXXCMNUPAQHF-IHWYPQMZSA-N 2 1 320.864 3.150 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C\c1ccc(Cl)cc1)CCO2 ZINC000646106297 435780787 /nfs/dbraw/zinc/78/07/87/435780787.db2.gz SYMXXCMNUPAQHF-IHWYPQMZSA-N 2 1 320.864 3.150 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651678178 435785596 /nfs/dbraw/zinc/78/55/96/435785596.db2.gz FFNDTJMIGXNMPY-HNNXBMFYSA-N 2 1 301.434 3.430 20 0 DGADMP FC1(F)CCCC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655769467 435786639 /nfs/dbraw/zinc/78/66/39/435786639.db2.gz ISMZHEHJDVDDHO-ZBFHGGJFSA-N 2 1 316.436 3.045 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000641808712 435827898 /nfs/dbraw/zinc/82/78/98/435827898.db2.gz ZZEBYNGSYUUYJI-MAZHCROVSA-N 2 1 317.477 3.027 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000641800828 435828871 /nfs/dbraw/zinc/82/88/71/435828871.db2.gz GPKXTCQIYMRNCH-IAGOWNOFSA-N 2 1 311.429 3.224 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000641800828 435828874 /nfs/dbraw/zinc/82/88/74/435828874.db2.gz GPKXTCQIYMRNCH-IAGOWNOFSA-N 2 1 311.429 3.224 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000655839157 435833481 /nfs/dbraw/zinc/83/34/81/435833481.db2.gz SPBBJJFVYLQCSU-GOSISDBHSA-N 2 1 323.484 3.309 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1ccccc1Cl)C2 ZINC000660654367 435841068 /nfs/dbraw/zinc/84/10/68/435841068.db2.gz HEGKQLFVEOTKHS-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP Cc1ccc(C)c(OCCN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657564 435844646 /nfs/dbraw/zinc/84/46/46/435844646.db2.gz YCZAPDVWASHAIS-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657564 435844652 /nfs/dbraw/zinc/84/46/52/435844652.db2.gz YCZAPDVWASHAIS-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657564 435844657 /nfs/dbraw/zinc/84/46/57/435844657.db2.gz YCZAPDVWASHAIS-IBGZPJMESA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC000660661377 435849391 /nfs/dbraw/zinc/84/93/91/435849391.db2.gz CZURUTBSIUJNBJ-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC000660661377 435849398 /nfs/dbraw/zinc/84/93/98/435849398.db2.gz CZURUTBSIUJNBJ-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000660661377 435849404 /nfs/dbraw/zinc/84/94/04/435849404.db2.gz CZURUTBSIUJNBJ-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000660661377 435849416 /nfs/dbraw/zinc/84/94/16/435849416.db2.gz CZURUTBSIUJNBJ-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000651866044 435850817 /nfs/dbraw/zinc/85/08/17/435850817.db2.gz RUCQIIKTKMRTOP-UHFFFAOYSA-N 2 1 314.477 3.155 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000651866044 435850823 /nfs/dbraw/zinc/85/08/23/435850823.db2.gz RUCQIIKTKMRTOP-UHFFFAOYSA-N 2 1 314.477 3.155 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665211 435851293 /nfs/dbraw/zinc/85/12/93/435851293.db2.gz VWNRFAPZQAQKMD-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000651866966 435851969 /nfs/dbraw/zinc/85/19/69/435851969.db2.gz XLGWEPGOKGZJNA-UHFFFAOYSA-N 2 1 306.479 3.206 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000651866966 435851977 /nfs/dbraw/zinc/85/19/77/435851977.db2.gz XLGWEPGOKGZJNA-UHFFFAOYSA-N 2 1 306.479 3.206 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665209 435852486 /nfs/dbraw/zinc/85/24/86/435852486.db2.gz VWNRFAPZQAQKMD-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](CCCc3ccncc3)CC2)cc1 ZINC000660678347 435856861 /nfs/dbraw/zinc/85/68/61/435856861.db2.gz SGQIXYDMQYZFCJ-UHFFFAOYSA-N 2 1 309.457 3.268 20 0 DGADMP O[C@@H](CC1CCCC1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678645 435858317 /nfs/dbraw/zinc/85/83/17/435858317.db2.gz XKLRRKAMKLLHHY-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)CCn1cccn1)C1CCCCC1 ZINC000651909942 435861678 /nfs/dbraw/zinc/86/16/78/435861678.db2.gz AZBBIYDHYTZENE-QGZVFWFLSA-N 2 1 306.498 3.296 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)O ZINC000572751554 435861761 /nfs/dbraw/zinc/86/17/61/435861761.db2.gz MKLFEWJOZPCRND-TWMKSMIVSA-N 2 1 304.478 3.023 20 0 DGADMP CC[N@@H+](CCCNCc1c[nH+]ccc1N(C)C)C1CCCCC1 ZINC000651910454 435861742 /nfs/dbraw/zinc/86/17/42/435861742.db2.gz UJVVDUBWBJVVHP-UHFFFAOYSA-N 2 1 318.509 3.282 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045291 435875552 /nfs/dbraw/zinc/87/55/52/435875552.db2.gz BVSJBRRGDLJDRD-GJZGRUSLSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045291 435875557 /nfs/dbraw/zinc/87/55/57/435875557.db2.gz BVSJBRRGDLJDRD-GJZGRUSLSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045290 435875896 /nfs/dbraw/zinc/87/58/96/435875896.db2.gz BVSJBRRGDLJDRD-CABCVRRESA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552045290 435875900 /nfs/dbraw/zinc/87/59/00/435875900.db2.gz BVSJBRRGDLJDRD-CABCVRRESA-N 2 1 322.493 3.263 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552048942 435876587 /nfs/dbraw/zinc/87/65/87/435876587.db2.gz DXIPFKFZMHNMTD-CABCVRRESA-N 2 1 322.493 3.263 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552055034 435876821 /nfs/dbraw/zinc/87/68/21/435876821.db2.gz YHGUIJRCNPQJIF-WPVAHCMFSA-N 2 1 314.473 3.227 20 0 DGADMP CCc1ccc(C[NH+]2CCN(c3nc(C)ncc3C)CC2)s1 ZINC000656127424 435897033 /nfs/dbraw/zinc/89/70/33/435897033.db2.gz FUOHSNZIYIDYJO-UHFFFAOYSA-N 2 1 316.474 3.040 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CC2 ZINC000652222172 435925637 /nfs/dbraw/zinc/92/56/37/435925637.db2.gz GXSCQGVJZWSNJP-QGZVFWFLSA-N 2 1 320.477 3.259 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)CC2 ZINC000652222172 435925641 /nfs/dbraw/zinc/92/56/41/435925641.db2.gz GXSCQGVJZWSNJP-QGZVFWFLSA-N 2 1 320.477 3.259 20 0 DGADMP Fc1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cccc1OC1CC1 ZINC000665244230 435926243 /nfs/dbraw/zinc/92/62/43/435926243.db2.gz JIOGLVLJFPATHU-YESZJQIVSA-N 2 1 318.436 3.377 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000652222395 435926623 /nfs/dbraw/zinc/92/66/23/435926623.db2.gz NIVMJZRYDLCZSE-IAGOWNOFSA-N 2 1 306.498 3.014 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCCC1 ZINC000665249733 435928343 /nfs/dbraw/zinc/92/83/43/435928343.db2.gz XZCIMVQYTBKSEK-CQSZACIVSA-N 2 1 314.351 3.434 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254739 435930893 /nfs/dbraw/zinc/93/08/93/435930893.db2.gz YQCIOYFPZNCGOV-KLIQENQMSA-N 2 1 320.452 3.066 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000652237085 435931653 /nfs/dbraw/zinc/93/16/53/435931653.db2.gz GJEVSQIHRWEGIY-QGZVFWFLSA-N 3 1 309.542 3.351 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCCC2)cc1F ZINC000665259231 435932041 /nfs/dbraw/zinc/93/20/41/435932041.db2.gz ZATLUFQCVDDZQE-RDJZCZTQSA-N 2 1 306.425 3.202 20 0 DGADMP COCc1csc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000665263215 435932137 /nfs/dbraw/zinc/93/21/37/435932137.db2.gz INWLMDBIKOREQF-AEFFLSMTSA-N 2 1 316.470 3.477 20 0 DGADMP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259204 435932147 /nfs/dbraw/zinc/93/21/47/435932147.db2.gz YJGYUVKAFKASOO-GKLJAUDBSA-N 2 1 308.441 3.304 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259207 435933067 /nfs/dbraw/zinc/93/30/67/435933067.db2.gz YJGYUVKAFKASOO-YOKBYHGQSA-N 2 1 308.441 3.304 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H]2C)cc1F ZINC000665258588 435933196 /nfs/dbraw/zinc/93/31/96/435933196.db2.gz FJRCZUIKHCGLHY-QCPWZWHMSA-N 2 1 306.425 3.058 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCSCC1 ZINC000665257278 435933423 /nfs/dbraw/zinc/93/34/23/435933423.db2.gz DTGMUNQYLPBZCD-FSPWUOQZSA-N 2 1 322.493 3.393 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000665266970 435933997 /nfs/dbraw/zinc/93/39/97/435933997.db2.gz MTGGPDNUKWWOQU-CABZTGNLSA-N 2 1 317.296 3.297 20 0 DGADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3[C@@H](C)CCC3(C)C)c2cc1C ZINC000650286448 435879543 /nfs/dbraw/zinc/87/95/43/435879543.db2.gz PJGUIQHGDMOGEJ-HOTGVXAUSA-N 2 1 315.461 3.277 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362800 435959138 /nfs/dbraw/zinc/95/91/38/435959138.db2.gz PWNNRGHFAQWMBA-QXAKKESOSA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)C1 ZINC000650708132 435994721 /nfs/dbraw/zinc/99/47/21/435994721.db2.gz UDKCRSQLZVXBHT-IDHHARJASA-N 2 1 314.429 3.151 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000650705748 435995022 /nfs/dbraw/zinc/99/50/22/435995022.db2.gz UJIRMNPUMIRAKU-UAGQMJEPSA-N 2 1 308.853 3.058 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000647244529 435988076 /nfs/dbraw/zinc/98/80/76/435988076.db2.gz BCXLXUOQEHJAJF-QGZVKYPTSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000647244529 435988078 /nfs/dbraw/zinc/98/80/78/435988078.db2.gz BCXLXUOQEHJAJF-QGZVKYPTSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707801 435995265 /nfs/dbraw/zinc/99/52/65/435995265.db2.gz NKVRFXCJLYPFIW-BTHPGYMESA-N 2 1 316.489 3.084 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)o2)cc1 ZINC000652352424 435955552 /nfs/dbraw/zinc/95/55/52/435955552.db2.gz VGKJNXDYFUPSCD-LPHOPBHVSA-N 2 1 311.429 3.211 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)o2)cc1 ZINC000652352424 435955556 /nfs/dbraw/zinc/95/55/56/435955556.db2.gz VGKJNXDYFUPSCD-LPHOPBHVSA-N 2 1 311.429 3.211 20 0 DGADMP CCc1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348495 435956319 /nfs/dbraw/zinc/95/63/19/435956319.db2.gz GGXTXTWSBGDFJN-SLFFLAALSA-N 2 1 316.489 3.010 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652348917 435957004 /nfs/dbraw/zinc/95/70/04/435957004.db2.gz WAKZVMVCFYGYCV-ZSXDVEMLSA-N 2 1 308.510 3.421 20 0 DGADMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709954 435997577 /nfs/dbraw/zinc/99/75/77/435997577.db2.gz ZDVXMDNKPICLBP-YOEHRIQHSA-N 2 1 308.853 3.300 20 0 DGADMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709954 435997584 /nfs/dbraw/zinc/99/75/84/435997584.db2.gz ZDVXMDNKPICLBP-YOEHRIQHSA-N 2 1 308.853 3.300 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1SC ZINC000650710959 435997637 /nfs/dbraw/zinc/99/76/37/435997637.db2.gz DPIICRYCCIGOFL-HIFRSBDPSA-N 2 1 308.491 3.366 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000650708933 435997654 /nfs/dbraw/zinc/99/76/54/435997654.db2.gz VYTITMVNOZVBFJ-UHZRXMQZSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)[C@H]1CC[NH3+] ZINC000650711014 435998849 /nfs/dbraw/zinc/99/88/49/435998849.db2.gz GKWVZLBGWOUIRG-BBRMVZONSA-N 2 1 316.474 3.154 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)[C@H]1CC[NH3+] ZINC000650710949 435999793 /nfs/dbraw/zinc/99/97/93/435999793.db2.gz DHDNQYKLSUOLDB-DOMZBBRYSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)[C@H]1CC[NH3+] ZINC000650710949 435999796 /nfs/dbraw/zinc/99/97/96/435999796.db2.gz DHDNQYKLSUOLDB-DOMZBBRYSA-N 2 1 320.868 3.176 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000650722526 436006426 /nfs/dbraw/zinc/00/64/26/436006426.db2.gz WAOGBLGTRIDENE-DJIMGWMZSA-N 2 1 308.853 3.201 20 0 DGADMP CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722056 436006547 /nfs/dbraw/zinc/00/65/47/436006547.db2.gz JQONSBVODRSGPT-NUEKZKHPSA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722056 436006549 /nfs/dbraw/zinc/00/65/49/436006549.db2.gz JQONSBVODRSGPT-NUEKZKHPSA-N 2 1 323.506 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000650724470 436007796 /nfs/dbraw/zinc/00/77/96/436007796.db2.gz GUYCDIGKCVHJJF-PXTPFGJHSA-N 2 1 314.473 3.151 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000650723303 436008339 /nfs/dbraw/zinc/00/83/39/436008339.db2.gz KZYURVRZEXCDIZ-HHXXYDBFSA-N 2 1 314.429 3.294 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2sccc2Cl)C1 ZINC000650723340 436009253 /nfs/dbraw/zinc/00/92/53/436009253.db2.gz LUJXUBDQFQXKJX-BNOWGMLFSA-N 2 1 314.882 3.262 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c(F)c1 ZINC000650753653 436019536 /nfs/dbraw/zinc/01/95/36/436019536.db2.gz SDDGNPLXLOOFMA-KRWDZBQOSA-N 2 1 318.367 3.427 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(F)c1 ZINC000650751867 436019687 /nfs/dbraw/zinc/01/96/87/436019687.db2.gz CZQNINDSVDIIMW-LLVKDONJSA-N 2 1 306.356 3.283 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cn1 ZINC000650754053 436019950 /nfs/dbraw/zinc/01/99/50/436019950.db2.gz ACIJWAWVVPTBDM-KRWDZBQOSA-N 2 1 305.372 3.305 20 0 DGADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(F)c1 ZINC000650751868 436020287 /nfs/dbraw/zinc/02/02/87/436020287.db2.gz CZQNINDSVDIIMW-NSHDSACASA-N 2 1 306.356 3.283 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@H]2CCC[C@H]21 ZINC000650759893 436021281 /nfs/dbraw/zinc/02/12/81/436021281.db2.gz SKFQLKPYEQWDBU-KVPLUYHFSA-N 2 1 313.489 3.266 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c(F)c1 ZINC000650755922 436022459 /nfs/dbraw/zinc/02/24/59/436022459.db2.gz PLHYXXSKFILHOY-CQSZACIVSA-N 2 1 324.321 3.479 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650764119 436023920 /nfs/dbraw/zinc/02/39/20/436023920.db2.gz QOLYIOAOBMUQST-YLJYHZDGSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000650764119 436023924 /nfs/dbraw/zinc/02/39/24/436023924.db2.gz QOLYIOAOBMUQST-YLJYHZDGSA-N 3 1 315.505 3.019 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344096 436025530 /nfs/dbraw/zinc/02/55/30/436025530.db2.gz IXYYRVNESIYLKD-XKQJLSEDSA-N 2 1 315.486 3.448 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344096 436025535 /nfs/dbraw/zinc/02/55/35/436025535.db2.gz IXYYRVNESIYLKD-XKQJLSEDSA-N 2 1 315.486 3.448 20 0 DGADMP C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)CC(C)(C)[NH3+] ZINC000656782308 436043657 /nfs/dbraw/zinc/04/36/57/436043657.db2.gz DURTXVSQGZZWLW-UHFFFAOYSA-N 2 1 308.429 3.195 20 0 DGADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)CC(C)(C)[NH3+] ZINC000656782308 436043662 /nfs/dbraw/zinc/04/36/62/436043662.db2.gz DURTXVSQGZZWLW-UHFFFAOYSA-N 2 1 308.429 3.195 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000656784935 436044361 /nfs/dbraw/zinc/04/43/61/436044361.db2.gz IFWZEIJJKSDXKG-GOSISDBHSA-N 2 1 302.462 3.215 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786727 436046292 /nfs/dbraw/zinc/04/62/92/436046292.db2.gz XBLLLPKAOCRPJZ-IBGZPJMESA-N 2 1 324.472 3.084 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000656792799 436050022 /nfs/dbraw/zinc/05/00/22/436050022.db2.gz XPPQDOISJSBYJQ-FRQCXROJSA-N 2 1 302.462 3.047 20 0 DGADMP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647258655 435996009 /nfs/dbraw/zinc/99/60/09/435996009.db2.gz MNTNGNUQMDSSKO-KSSFIOAISA-N 2 1 322.493 3.316 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000650703841 435996698 /nfs/dbraw/zinc/99/66/98/435996698.db2.gz UWQLVFSPSJBKGF-CABCVRRESA-N 2 1 306.425 3.046 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480182 436059637 /nfs/dbraw/zinc/05/96/37/436059637.db2.gz GBEMAFDVSURUJC-XLIONFOSSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480182 436059643 /nfs/dbraw/zinc/05/96/43/436059643.db2.gz GBEMAFDVSURUJC-XLIONFOSSA-N 2 1 324.472 3.145 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480732 436059932 /nfs/dbraw/zinc/05/99/32/436059932.db2.gz YCGWNUNDKFRYAO-NVXWUHKLSA-N 2 1 324.415 3.295 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000647479613 436060355 /nfs/dbraw/zinc/06/03/55/436060355.db2.gz NEUNUTGLUOMXMJ-CJNGLKHVSA-N 2 1 316.474 3.102 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000647479613 436060359 /nfs/dbraw/zinc/06/03/59/436060359.db2.gz NEUNUTGLUOMXMJ-CJNGLKHVSA-N 2 1 316.474 3.102 20 0 DGADMP Cc1ccc(-n2cc(C[N@H+](C)CCC[NH3+])c(C(C)(C)C)n2)cc1 ZINC000647496977 436065108 /nfs/dbraw/zinc/06/51/08/436065108.db2.gz AVBSDPSXCRGEML-UHFFFAOYSA-N 2 1 314.477 3.259 20 0 DGADMP Cc1ccc(-n2cc(C[N@@H+](C)CCC[NH3+])c(C(C)(C)C)n2)cc1 ZINC000647496977 436065114 /nfs/dbraw/zinc/06/51/14/436065114.db2.gz AVBSDPSXCRGEML-UHFFFAOYSA-N 2 1 314.477 3.259 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)CC[C@H]1[NH3+] ZINC000647497711 436065533 /nfs/dbraw/zinc/06/55/33/436065533.db2.gz SHPLNTSZFGATLF-FRFSOERESA-N 2 1 308.441 3.072 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000647498600 436066722 /nfs/dbraw/zinc/06/67/22/436066722.db2.gz KYEMBRRJTYOMDG-BLLLJJGKSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000647498600 436066725 /nfs/dbraw/zinc/06/67/25/436066725.db2.gz KYEMBRRJTYOMDG-BLLLJJGKSA-N 2 1 303.837 3.447 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498498 436067266 /nfs/dbraw/zinc/06/72/66/436067266.db2.gz IZQAYQCNAOTFKF-IRXDYDNUSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498498 436067272 /nfs/dbraw/zinc/06/72/72/436067272.db2.gz IZQAYQCNAOTFKF-IRXDYDNUSA-N 2 1 320.477 3.433 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000647542804 436077127 /nfs/dbraw/zinc/07/71/27/436077127.db2.gz CABIDJPBUXYHTD-ZWKOTPCHSA-N 2 1 324.472 3.084 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647543597 436078774 /nfs/dbraw/zinc/07/87/74/436078774.db2.gz PYLUNEVPOXTRGU-MSOLQXFVSA-N 2 1 302.462 3.215 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543390 436079349 /nfs/dbraw/zinc/07/93/49/436079349.db2.gz MGZBKCOWLAOMSB-QZTJIDSGSA-N 2 1 324.472 3.288 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544210 436080074 /nfs/dbraw/zinc/08/00/74/436080074.db2.gz YFKIOFCLCUSUPG-IRXDYDNUSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3C[NH2+]C[C@@H](C)C3)s2)cs1 ZINC000647548643 436081176 /nfs/dbraw/zinc/08/11/76/436081176.db2.gz MNKKXRZGDVLHDO-AAEUAGOBSA-N 2 1 321.515 3.310 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1cccc(F)c1OC(F)F ZINC000657304427 436126640 /nfs/dbraw/zinc/12/66/40/436126640.db2.gz HGKOZEPDTSAWAV-UHFFFAOYSA-N 2 1 304.356 3.247 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000647840253 436131831 /nfs/dbraw/zinc/13/18/31/436131831.db2.gz XIOXCMMAULGFBT-OLZOCXBDSA-N 2 1 300.406 3.055 20 0 DGADMP COCc1csc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000657312164 436132304 /nfs/dbraw/zinc/13/23/04/436132304.db2.gz DMJGTHKWECKJHF-HUUCEWRRSA-N 2 1 310.507 3.352 20 0 DGADMP CCCn1nccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657313392 436132513 /nfs/dbraw/zinc/13/25/13/436132513.db2.gz QBBXZBQJCMHUNH-CALCHBBNSA-N 2 1 306.498 3.141 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000647883533 436140557 /nfs/dbraw/zinc/14/05/57/436140557.db2.gz ZRFAPQMDXJRRAZ-SFHVURJKSA-N 2 1 302.462 3.264 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647882607 436140739 /nfs/dbraw/zinc/14/07/39/436140739.db2.gz CMJPCTUXKUNXMB-IBGZPJMESA-N 2 1 316.489 3.482 20 0 DGADMP Clc1ccc(O[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647890692 436143352 /nfs/dbraw/zinc/14/33/52/436143352.db2.gz DZYKNXQNNPDJOT-AAEUAGOBSA-N 2 1 315.244 3.056 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902882 436144198 /nfs/dbraw/zinc/14/41/98/436144198.db2.gz DDULHOUOFILZCV-MSOLQXFVSA-N 2 1 302.462 3.146 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899324 436145453 /nfs/dbraw/zinc/14/54/53/436145453.db2.gz GSQMGQCNKDIGQU-MJGOQNOKSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647906600 436145585 /nfs/dbraw/zinc/14/55/85/436145585.db2.gz OHRKBFAUECUJOA-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657346540 436151205 /nfs/dbraw/zinc/15/12/05/436151205.db2.gz FUBPDZJJYKSJRW-GFCCVEGCSA-N 2 1 300.431 3.227 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@@H]1[NH3+] ZINC000647936993 436152104 /nfs/dbraw/zinc/15/21/04/436152104.db2.gz PCKSFYPBCUSYPL-WBMJQRKESA-N 2 1 303.381 3.040 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@@H]1[NH3+] ZINC000647936993 436152108 /nfs/dbraw/zinc/15/21/08/436152108.db2.gz PCKSFYPBCUSYPL-WBMJQRKESA-N 2 1 303.381 3.040 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cccc(Br)c2C)CC[C@@H]1[NH3+] ZINC000647934651 436152313 /nfs/dbraw/zinc/15/23/13/436152313.db2.gz LICLRURFTULVEE-WFASDCNBSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(Br)c2C)CC[C@@H]1[NH3+] ZINC000647934651 436152317 /nfs/dbraw/zinc/15/23/17/436152317.db2.gz LICLRURFTULVEE-WFASDCNBSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)s2)cc1 ZINC000653279620 436152513 /nfs/dbraw/zinc/15/25/13/436152513.db2.gz UQULDKYITQJWRH-HIFRSBDPSA-N 2 1 301.459 3.430 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)s2)cc1 ZINC000653279620 436152517 /nfs/dbraw/zinc/15/25/17/436152517.db2.gz UQULDKYITQJWRH-HIFRSBDPSA-N 2 1 301.459 3.430 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647936862 436153212 /nfs/dbraw/zinc/15/32/12/436153212.db2.gz MGKNUHLUDIGKEJ-OCCSQVGLSA-N 2 1 316.367 3.143 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000647789332 436119372 /nfs/dbraw/zinc/11/93/72/436119372.db2.gz ARPSCQAGQAQFCB-UAFMIMERSA-N 3 1 319.537 3.009 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1CC1CCCCC1 ZINC000647789332 436119387 /nfs/dbraw/zinc/11/93/87/436119387.db2.gz ARPSCQAGQAQFCB-UAFMIMERSA-N 2 1 319.537 3.009 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@H]1CCCC[NH2+]1 ZINC000647800406 436123589 /nfs/dbraw/zinc/12/35/89/436123589.db2.gz ASBTZGCYVLOBLN-SOUVJXGZSA-N 2 1 306.475 3.050 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000653298739 436155827 /nfs/dbraw/zinc/15/58/27/436155827.db2.gz FMNNNXSMLIVVKZ-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP CC[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000647938653 436155794 /nfs/dbraw/zinc/15/57/94/436155794.db2.gz RENRHRVWGVSYDM-FZMZJTMJSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000647938653 436155801 /nfs/dbraw/zinc/15/58/01/436155801.db2.gz RENRHRVWGVSYDM-FZMZJTMJSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CO1 ZINC000657374847 436166611 /nfs/dbraw/zinc/16/66/11/436166611.db2.gz SCQJTNMRZQHRJQ-JYYAWHABSA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CO1 ZINC000657374847 436166615 /nfs/dbraw/zinc/16/66/15/436166615.db2.gz SCQJTNMRZQHRJQ-JYYAWHABSA-N 2 1 308.491 3.288 20 0 DGADMP Cc1ccc([C@@H]2CCCCCN2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964362 436162158 /nfs/dbraw/zinc/16/21/58/436162158.db2.gz GBFJMMDONONNOA-SJORKVTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964362 436162166 /nfs/dbraw/zinc/16/21/66/436162166.db2.gz GBFJMMDONONNOA-SJORKVTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964362 436162168 /nfs/dbraw/zinc/16/21/68/436162168.db2.gz GBFJMMDONONNOA-SJORKVTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964362 436162171 /nfs/dbraw/zinc/16/21/71/436162171.db2.gz GBFJMMDONONNOA-SJORKVTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964362 436162176 /nfs/dbraw/zinc/16/21/76/436162176.db2.gz GBFJMMDONONNOA-SJORKVTESA-N 2 1 308.466 3.206 20 0 DGADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647990871 436168655 /nfs/dbraw/zinc/16/86/55/436168655.db2.gz QFLSIXDMHLMXJW-UHFFFAOYSA-N 2 1 314.473 3.070 20 0 DGADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990928 436170090 /nfs/dbraw/zinc/17/00/90/436170090.db2.gz VYXCWLGPMKVYAU-BEFAXECRSA-N 2 1 302.462 3.090 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976868 436167809 /nfs/dbraw/zinc/16/78/09/436167809.db2.gz VKVORALWRINFFK-MSOLQXFVSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000661768514 436184118 /nfs/dbraw/zinc/18/41/18/436184118.db2.gz XVJVXZKQFFLBMD-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP CCc1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000666295153 436194216 /nfs/dbraw/zinc/19/42/16/436194216.db2.gz VZEOSWNLTJMKSW-UHFFFAOYSA-N 2 1 316.493 3.127 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000648068366 436200559 /nfs/dbraw/zinc/20/05/59/436200559.db2.gz UXFZNSIVEYQUQG-AKHDSKFASA-N 2 1 318.530 3.452 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000653557307 436203701 /nfs/dbraw/zinc/20/37/01/436203701.db2.gz NEDBZMWQMCGYRT-KRWDZBQOSA-N 2 1 301.459 3.143 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000653557307 436203707 /nfs/dbraw/zinc/20/37/07/436203707.db2.gz NEDBZMWQMCGYRT-KRWDZBQOSA-N 2 1 301.459 3.143 20 0 DGADMP CC1CCC([N@H+](CCCc2c[nH+]cn2C)C[C@@H]2CCCO2)CC1 ZINC000653559625 436204832 /nfs/dbraw/zinc/20/48/32/436204832.db2.gz LXFLVZASJWILQD-TVPLGVNVSA-N 2 1 319.493 3.412 20 0 DGADMP CC1CCC([N@@H+](CCCc2c[nH+]cn2C)C[C@@H]2CCCO2)CC1 ZINC000653559625 436204837 /nfs/dbraw/zinc/20/48/37/436204837.db2.gz LXFLVZASJWILQD-TVPLGVNVSA-N 2 1 319.493 3.412 20 0 DGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072320 436205697 /nfs/dbraw/zinc/20/56/97/436205697.db2.gz XZKBETMUHMPLBV-GOSISDBHSA-N 2 1 316.489 3.052 20 0 DGADMP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653590455 436218759 /nfs/dbraw/zinc/21/87/59/436218759.db2.gz CHMYLYGFAAIOML-DZGCQCFKSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653590455 436218761 /nfs/dbraw/zinc/21/87/61/436218761.db2.gz CHMYLYGFAAIOML-DZGCQCFKSA-N 2 1 323.400 3.021 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000657734748 436289910 /nfs/dbraw/zinc/28/99/10/436289910.db2.gz TYFNKKPKDQEXLU-REPLKXPHSA-N 2 1 302.437 3.221 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657561356 436246136 /nfs/dbraw/zinc/24/61/36/436246136.db2.gz FVKAHKWUFYXWPH-IBGZPJMESA-N 2 1 315.505 3.113 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccnc2ccccc12 ZINC000657590423 436255065 /nfs/dbraw/zinc/25/50/65/436255065.db2.gz WMKCQAPLSCVWSL-UHFFFAOYSA-N 2 1 306.413 3.028 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594646 436256703 /nfs/dbraw/zinc/25/67/03/436256703.db2.gz JSCAYOCDGXRPCB-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@H](C)C1 ZINC000657596198 436257960 /nfs/dbraw/zinc/25/79/60/436257960.db2.gz MCCLNQIPRSQTOF-QINHECLXSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657630966 436265410 /nfs/dbraw/zinc/26/54/10/436265410.db2.gz SQMPIRVSRPDGSC-NEWSRXKRSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000657630966 436265414 /nfs/dbraw/zinc/26/54/14/436265414.db2.gz SQMPIRVSRPDGSC-NEWSRXKRSA-N 2 1 314.473 3.341 20 0 DGADMP CCc1csc(CC2CC[NH+](CCn3cc[nH+]c3C)CC2)n1 ZINC000653802466 436268754 /nfs/dbraw/zinc/26/87/54/436268754.db2.gz HFWSFPAEYHJTKX-UHFFFAOYSA-N 2 1 318.490 3.165 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000657998679 436352264 /nfs/dbraw/zinc/35/22/64/436352264.db2.gz NPFJETHPYIJWOK-MRXNPFEDSA-N 2 1 308.416 3.186 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771614 436301282 /nfs/dbraw/zinc/30/12/82/436301282.db2.gz LGUWBLRFGFFATQ-LJQANCHMSA-N 2 1 324.472 3.110 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3ccncc3)C3(CCC3)C2)cc1 ZINC000657771447 436301722 /nfs/dbraw/zinc/30/17/22/436301722.db2.gz IMQQURPGTFTPCL-FQEVSTJZSA-N 2 1 321.468 3.474 20 0 DGADMP C[C@]1(c2ccccc2)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662255111 436312703 /nfs/dbraw/zinc/31/27/03/436312703.db2.gz OSKSQXGBYOHQGQ-OAQYLSRUSA-N 2 1 322.452 3.080 20 0 DGADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](CC)c1ccccc1 ZINC000662251817 436315019 /nfs/dbraw/zinc/31/50/19/436315019.db2.gz JZBLQGDYGZYDNZ-QZTJIDSGSA-N 2 1 302.462 3.371 20 0 DGADMP COc1cccc(SCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000662265655 436315990 /nfs/dbraw/zinc/31/59/90/436315990.db2.gz SOUHMWSTCIAKLL-YIONKMFJSA-N 2 1 306.475 3.002 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1oc2ccccc2c1Br ZINC000662265198 436317091 /nfs/dbraw/zinc/31/70/91/436317091.db2.gz NXLUVZTXCDWMAV-MNOVXSKESA-N 2 1 323.234 3.364 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1oc2ccccc2c1Br ZINC000662265198 436317093 /nfs/dbraw/zinc/31/70/93/436317093.db2.gz NXLUVZTXCDWMAV-MNOVXSKESA-N 2 1 323.234 3.364 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968960 436317171 /nfs/dbraw/zinc/31/71/71/436317171.db2.gz NOVXHSGFMOCGAE-NUJGCVRESA-N 2 1 300.446 3.017 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC ZINC000666969725 436317709 /nfs/dbraw/zinc/31/77/09/436317709.db2.gz NXEAVWRVWCCIGZ-RHSMWYFYSA-N 2 1 320.477 3.480 20 0 DGADMP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000662275482 436320958 /nfs/dbraw/zinc/32/09/58/436320958.db2.gz DIMMTEVFNMYOKC-DZGCQCFKSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000662275482 436320963 /nfs/dbraw/zinc/32/09/63/436320963.db2.gz DIMMTEVFNMYOKC-DZGCQCFKSA-N 2 1 308.853 3.313 20 0 DGADMP C[C@@H](C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2)c1nccs1 ZINC000662279555 436321092 /nfs/dbraw/zinc/32/10/92/436321092.db2.gz UZTROMAISKZUBF-ZDUSSCGKSA-N 2 1 301.459 3.024 20 0 DGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662279870 436321485 /nfs/dbraw/zinc/32/14/85/436321485.db2.gz MXACVYPCAKAQCW-HXUWFJFHSA-N 2 1 324.468 3.022 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000662273335 436321568 /nfs/dbraw/zinc/32/15/68/436321568.db2.gz MDQDNEFKBXLOMZ-HUUCEWRRSA-N 2 1 315.486 3.160 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000662276198 436322251 /nfs/dbraw/zinc/32/22/51/436322251.db2.gz KSXLDWLEPHIQBN-PBHICJAKSA-N 2 1 308.466 3.382 20 0 DGADMP COc1cccc(SCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000662282392 436322968 /nfs/dbraw/zinc/32/29/68/436322968.db2.gz HAJOJTVHZLQRMP-HNNXBMFYSA-N 2 1 320.502 3.251 20 0 DGADMP Clc1ccccc1C[N@@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281450 436324085 /nfs/dbraw/zinc/32/40/85/436324085.db2.gz XADALXXNTISNAB-MRXNPFEDSA-N 2 1 320.864 3.073 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662292364 436324355 /nfs/dbraw/zinc/32/43/55/436324355.db2.gz DYPBKHUNLDKUJG-RTBURBONSA-N 2 1 302.462 3.086 20 0 DGADMP CCCc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662292024 436324673 /nfs/dbraw/zinc/32/46/73/436324673.db2.gz KYESGXPNNQKRSS-HNNXBMFYSA-N 2 1 307.507 3.307 20 0 DGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294088 436325378 /nfs/dbraw/zinc/32/53/78/436325378.db2.gz OWZZBNXMERGXPS-QAPCUYQASA-N 2 1 302.462 3.468 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298033 436325534 /nfs/dbraw/zinc/32/55/34/436325534.db2.gz UEIVSTVTWBPXGY-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000662299014 436325684 /nfs/dbraw/zinc/32/56/84/436325684.db2.gz IQJBGEGDKVQMOP-UHFFFAOYSA-N 2 1 317.436 3.372 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000662299014 436325686 /nfs/dbraw/zinc/32/56/86/436325686.db2.gz IQJBGEGDKVQMOP-UHFFFAOYSA-N 2 1 317.436 3.372 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657859953 436328109 /nfs/dbraw/zinc/32/81/09/436328109.db2.gz ZOSYHAHUOZTPCZ-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000662317422 436328569 /nfs/dbraw/zinc/32/85/69/436328569.db2.gz OYSURNUWAKLPBT-FQEVSTJZSA-N 2 1 312.457 3.382 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662317467 436328610 /nfs/dbraw/zinc/32/86/10/436328610.db2.gz PUCQHDMAQXSWNN-NRFANRHFSA-N 2 1 321.468 3.043 20 0 DGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C ZINC000662313142 436329165 /nfs/dbraw/zinc/32/91/65/436329165.db2.gz KDOZEKNAGOSSHH-CRAIPNDOSA-N 2 1 317.477 3.081 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@@H]1CCC[NH3+] ZINC000662316475 436329258 /nfs/dbraw/zinc/32/92/58/436329258.db2.gz VBNJMCHDHJNVJP-VQIMIIECSA-N 2 1 324.472 3.483 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CCCn3nccc32)C1 ZINC000657870976 436329976 /nfs/dbraw/zinc/32/99/76/436329976.db2.gz HLHBHGRWVZCIAY-NXHRZFHOSA-N 2 1 310.445 3.143 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@H]2CCc3ccccc32)cc1 ZINC000662321804 436331924 /nfs/dbraw/zinc/33/19/24/436331924.db2.gz JOYBMQCYOJVNMI-MOPGFXCFSA-N 2 1 324.468 3.399 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000657901487 436336066 /nfs/dbraw/zinc/33/60/66/436336066.db2.gz UJIRCYZMVHUCRG-QRQLOZEOSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000657901487 436336071 /nfs/dbraw/zinc/33/60/71/436336071.db2.gz UJIRCYZMVHUCRG-QRQLOZEOSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C(F)F ZINC000657920023 436340880 /nfs/dbraw/zinc/34/08/80/436340880.db2.gz URGKQWKHDYHCHK-HZSPNIEDSA-N 2 1 306.441 3.145 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000658058179 436361659 /nfs/dbraw/zinc/36/16/59/436361659.db2.gz LTXMKKCFCSSLIR-MKXGPGLRSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658060299 436363267 /nfs/dbraw/zinc/36/32/67/436363267.db2.gz YPPLVCMWXLVXLF-QRQLOZEOSA-N 2 1 321.553 3.492 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658060298 436363937 /nfs/dbraw/zinc/36/39/37/436363937.db2.gz YPPLVCMWXLVXLF-NZSAHSFTSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662621723 436370289 /nfs/dbraw/zinc/37/02/89/436370289.db2.gz JMDYZZLTKINPDO-DLBZAZTESA-N 2 1 323.525 3.053 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)cc1 ZINC000658249331 436410392 /nfs/dbraw/zinc/41/03/92/436410392.db2.gz AHBGUEAXWSUBCX-KKXDTOCCSA-N 2 1 311.429 3.135 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCCCC1 ZINC000658144645 436386370 /nfs/dbraw/zinc/38/63/70/436386370.db2.gz NHFNSJOGZMTBNJ-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658143222 436386553 /nfs/dbraw/zinc/38/65/53/436386553.db2.gz GHBBBCOCHBFYTO-SFTDATJTSA-N 2 1 324.468 3.494 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142650 436386769 /nfs/dbraw/zinc/38/67/69/436386769.db2.gz VYJGGUSONTYZDZ-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC000658222455 436403490 /nfs/dbraw/zinc/40/34/90/436403490.db2.gz XFHXRWIPWGTDQZ-HNBVOPMISA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658227781 436404793 /nfs/dbraw/zinc/40/47/93/436404793.db2.gz CVBNGJLARGCENI-SJLPKXTDSA-N 2 1 318.509 3.392 20 0 DGADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658227781 436404798 /nfs/dbraw/zinc/40/47/98/436404798.db2.gz CVBNGJLARGCENI-SJLPKXTDSA-N 2 1 318.509 3.392 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000658320353 436430081 /nfs/dbraw/zinc/43/00/81/436430081.db2.gz SVVHESUUVNLFFK-MSOLQXFVSA-N 2 1 316.514 3.384 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346919 436442404 /nfs/dbraw/zinc/44/24/04/436442404.db2.gz XQZQHEMGKGWPKT-QZTJIDSGSA-N 2 1 314.473 3.264 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347021 436442537 /nfs/dbraw/zinc/44/25/37/436442537.db2.gz FSBHYAVXGYZOJY-SFHVURJKSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC000663396456 436452397 /nfs/dbraw/zinc/45/23/97/436452397.db2.gz AUXXONITFDJIQQ-UHFFFAOYSA-N 2 1 301.356 3.187 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467281 436465575 /nfs/dbraw/zinc/46/55/75/436465575.db2.gz ZWKUNJCDGZLLJH-IAGOWNOFSA-N 2 1 323.484 3.347 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467280 436465667 /nfs/dbraw/zinc/46/56/67/436465667.db2.gz ZWKUNJCDGZLLJH-DLBZAZTESA-N 2 1 323.484 3.347 20 0 DGADMP CC(C)[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000658287686 436419259 /nfs/dbraw/zinc/41/92/59/436419259.db2.gz ISDUWNDQVBZWNC-VQTJNVASSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1[nH+]ccc3[nH]ccc31)C2 ZINC000663499393 436470148 /nfs/dbraw/zinc/47/01/48/436470148.db2.gz ZLPXMYAQNXXKCU-GFCCVEGCSA-N 2 1 309.417 3.484 20 0 DGADMP CC(C)[C@H]([NH3+])CCNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000663498914 436470988 /nfs/dbraw/zinc/47/09/88/436470988.db2.gz TVKBLSBXMHGODH-GOSISDBHSA-N 3 1 305.510 3.108 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000663498914 436470990 /nfs/dbraw/zinc/47/09/90/436470990.db2.gz TVKBLSBXMHGODH-GOSISDBHSA-N 3 1 305.510 3.108 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000663498914 436470994 /nfs/dbraw/zinc/47/09/94/436470994.db2.gz TVKBLSBXMHGODH-GOSISDBHSA-N 3 1 305.510 3.108 20 0 DGADMP C[NH2+]C[C@H](C)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000663514750 436473082 /nfs/dbraw/zinc/47/30/82/436473082.db2.gz SNFHMFLLIUXYHN-ZDUSSCGKSA-N 2 1 304.384 3.294 20 0 DGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C[NH2+]C ZINC000663513501 436473135 /nfs/dbraw/zinc/47/31/35/436473135.db2.gz KUFQMQUAXDCRMY-IUODEOHRSA-N 2 1 313.283 3.358 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009914 436578385 /nfs/dbraw/zinc/57/83/85/436578385.db2.gz CYMSALTTZAWGBE-CZUORRHYSA-N 2 1 301.459 3.212 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659847249 436540713 /nfs/dbraw/zinc/54/07/13/436540713.db2.gz LVKNGUSPENLSPM-RTBURBONSA-N 2 1 323.569 3.408 20 0 DGADMP COc1cccc(SCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000659948573 436565889 /nfs/dbraw/zinc/56/58/89/436565889.db2.gz PXDSIWACONTYLV-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP COc1cccc(SCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000659948573 436565892 /nfs/dbraw/zinc/56/58/92/436565892.db2.gz PXDSIWACONTYLV-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP COc1cccc(SCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000659948573 436565894 /nfs/dbraw/zinc/56/58/94/436565894.db2.gz PXDSIWACONTYLV-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP c1ccc2c(CC[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659945601 436566294 /nfs/dbraw/zinc/56/62/94/436566294.db2.gz AFYVZLVNPJHHRC-HNNXBMFYSA-N 2 1 315.486 3.257 20 0 DGADMP c1ccc2c(CC[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659945601 436566297 /nfs/dbraw/zinc/56/62/97/436566297.db2.gz AFYVZLVNPJHHRC-HNNXBMFYSA-N 2 1 315.486 3.257 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC3CCC3)CC2)CC1 ZINC000659991723 436574800 /nfs/dbraw/zinc/57/48/00/436574800.db2.gz AQUZGEBATLVVFL-UHFFFAOYSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@H+](CCC1CCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659991723 436574804 /nfs/dbraw/zinc/57/48/04/436574804.db2.gz AQUZGEBATLVVFL-UHFFFAOYSA-N 3 1 321.553 3.305 20 0 DGADMP C[N@@H+](CCC1CCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659991723 436574807 /nfs/dbraw/zinc/57/48/07/436574807.db2.gz AQUZGEBATLVVFL-UHFFFAOYSA-N 3 1 321.553 3.305 20 0 DGADMP Cc1cccc(C2([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCCC2)c1 ZINC000660064520 436583496 /nfs/dbraw/zinc/58/34/96/436583496.db2.gz PVOFUTVFXKICJB-GOSISDBHSA-N 2 1 304.478 3.055 20 0 DGADMP Cc1cccc(C2([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCCC2)c1 ZINC000660064520 436583499 /nfs/dbraw/zinc/58/34/99/436583499.db2.gz PVOFUTVFXKICJB-GOSISDBHSA-N 2 1 304.478 3.055 20 0 DGADMP CC(C)c1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000660074542 436586009 /nfs/dbraw/zinc/58/60/09/436586009.db2.gz OYOVZIBUQCIMOK-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)c1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000660074542 436586011 /nfs/dbraw/zinc/58/60/11/436586011.db2.gz OYOVZIBUQCIMOK-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000660115487 436590209 /nfs/dbraw/zinc/59/02/09/436590209.db2.gz AJEILDYXDDVXBP-XUVXKRRUSA-N 2 1 316.489 3.494 20 0 DGADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000660114723 436590956 /nfs/dbraw/zinc/59/09/56/436590956.db2.gz JZWDYJIELSPQMZ-NZSAHSFTSA-N 2 1 306.494 3.140 20 0 DGADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000660114723 436590957 /nfs/dbraw/zinc/59/09/57/436590957.db2.gz JZWDYJIELSPQMZ-NZSAHSFTSA-N 2 1 306.494 3.140 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000660130549 436592640 /nfs/dbraw/zinc/59/26/40/436592640.db2.gz YGOBJLXXKABGFO-LBPRGKRZSA-N 2 1 323.412 3.280 20 0 DGADMP CC(C)c1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000660138911 436594625 /nfs/dbraw/zinc/59/46/25/436594625.db2.gz AUFCFBGDKKITNT-UHFFFAOYSA-N 2 1 317.521 3.268 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220940 436607194 /nfs/dbraw/zinc/60/71/94/436607194.db2.gz NDBWMULAQVLGDN-QFBILLFUSA-N 2 1 309.457 3.269 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000660224129 436608651 /nfs/dbraw/zinc/60/86/51/436608651.db2.gz IWIDPQZOBGATQT-QFBILLFUSA-N 2 1 322.468 3.096 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000660224129 436608654 /nfs/dbraw/zinc/60/86/54/436608654.db2.gz IWIDPQZOBGATQT-QFBILLFUSA-N 2 1 322.468 3.096 20 0 DGADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000660255731 436613926 /nfs/dbraw/zinc/61/39/26/436613926.db2.gz FRUHMEVRRUKVLR-HHXXYDBFSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256010 436615363 /nfs/dbraw/zinc/61/53/63/436615363.db2.gz HPQKXVGCLYXRKD-HZPDHXFCSA-N 2 1 324.472 3.372 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc2ccccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256010 436615365 /nfs/dbraw/zinc/61/53/65/436615365.db2.gz HPQKXVGCLYXRKD-HZPDHXFCSA-N 2 1 324.472 3.372 20 0 DGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCC2 ZINC000423489816 302887127 /nfs/dbraw/zinc/88/71/27/302887127.db2.gz GZZRWJGDQYXEBA-WBVHZDCISA-N 2 1 308.853 3.076 20 0 DGADMP CC(C)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000132997982 312656650 /nfs/dbraw/zinc/65/66/50/312656650.db2.gz VLROPOLUMYPVEM-FQEVSTJZSA-N 2 1 315.505 3.365 20 0 DGADMP C[N@@H+](Cc1c(F)ccc(F)c1Cl)CC1CC[NH+](C)CC1 ZINC000529530451 313218819 /nfs/dbraw/zinc/21/88/19/313218819.db2.gz PRSIDOXADRKPHV-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP C[N@H+](Cc1c(F)ccc(F)c1Cl)CC1CC[NH+](C)CC1 ZINC000529530451 313218821 /nfs/dbraw/zinc/21/88/21/313218821.db2.gz PRSIDOXADRKPHV-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000530714472 313398847 /nfs/dbraw/zinc/39/88/47/313398847.db2.gz YKTQQOFSHVWNHT-WMZOPIPTSA-N 2 1 314.477 3.325 20 0 DGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000532187895 313524681 /nfs/dbraw/zinc/52/46/81/313524681.db2.gz FCMRAZUWOUHXTP-HUUCEWRRSA-N 2 1 309.523 3.061 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCCCC1 ZINC000534798380 313681991 /nfs/dbraw/zinc/68/19/91/313681991.db2.gz JLJXZHPADNVYTE-ZACQAIPSSA-N 2 1 306.494 3.188 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000541221313 314001119 /nfs/dbraw/zinc/00/11/19/314001119.db2.gz DMIHUDMUSLHPHD-DOTOQJQBSA-N 2 1 310.507 3.112 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CCC2)o1 ZINC000541731895 314034366 /nfs/dbraw/zinc/03/43/66/314034366.db2.gz COGUYLBWQAREMJ-MJGOQNOKSA-N 2 1 320.477 3.256 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000541915143 314048725 /nfs/dbraw/zinc/04/87/25/314048725.db2.gz ZJXDQIXCMFIYPS-PMACEKPBSA-N 2 1 316.489 3.168 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000542518117 314082167 /nfs/dbraw/zinc/08/21/67/314082167.db2.gz NOEFDIZHSRGNBS-IBGZPJMESA-N 2 1 318.505 3.488 20 0 DGADMP CCc1cccc(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000543196581 314119935 /nfs/dbraw/zinc/11/99/35/314119935.db2.gz LOVZONRWHYXEIR-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP CCc1cccc(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000543196581 314119937 /nfs/dbraw/zinc/11/99/37/314119937.db2.gz LOVZONRWHYXEIR-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000543405374 314131168 /nfs/dbraw/zinc/13/11/68/314131168.db2.gz QBQQDKRVLXFQBF-SQIBXOBRSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCO1 ZINC000543405375 314131608 /nfs/dbraw/zinc/13/16/08/314131608.db2.gz QBQQDKRVLXFQBF-YQXATGRUSA-N 2 1 316.489 3.300 20 0 DGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000543407609 314131999 /nfs/dbraw/zinc/13/19/99/314131999.db2.gz VWKQVYREGZDBRH-JKSUJKDBSA-N 2 1 321.534 3.205 20 0 DGADMP C[C@H]1C[N@@H+](CC2(C[NH+]3C[C@@H](C)CC3(C)C)COC2)C(C)(C)C1 ZINC000543858520 314161521 /nfs/dbraw/zinc/16/15/21/314161521.db2.gz UOODUNVZXFVXCV-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H]1C[NH+](CC2(C[N@@H+]3C[C@@H](C)CC3(C)C)COC2)C(C)(C)C1 ZINC000543858520 314161526 /nfs/dbraw/zinc/16/15/26/314161526.db2.gz UOODUNVZXFVXCV-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H]1C[NH+](CC2(C[N@H+]3C[C@@H](C)CC3(C)C)COC2)C(C)(C)C1 ZINC000543858520 314161530 /nfs/dbraw/zinc/16/15/30/314161530.db2.gz UOODUNVZXFVXCV-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000546689530 314322132 /nfs/dbraw/zinc/32/21/32/314322132.db2.gz GNSBOFFXWUUCGL-RCCFBDPRSA-N 2 1 301.478 3.348 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000562959734 315065107 /nfs/dbraw/zinc/06/51/07/315065107.db2.gz OPADOISAAZACGQ-MSOLQXFVSA-N 2 1 320.440 3.054 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C(C)(C)C)cs1 ZINC000563351812 315105020 /nfs/dbraw/zinc/10/50/20/315105020.db2.gz AKYGJJDDYCCKAH-LBPRGKRZSA-N 2 1 306.479 3.458 20 0 DGADMP CC(C)c1nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccn21 ZINC000563630837 315128944 /nfs/dbraw/zinc/12/89/44/315128944.db2.gz NDUQBXGERCMOPG-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000565155580 315235477 /nfs/dbraw/zinc/23/54/77/315235477.db2.gz FIIDRPODQJJHKX-HXUWFJFHSA-N 2 1 320.440 3.259 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000565155580 315235480 /nfs/dbraw/zinc/23/54/80/315235480.db2.gz FIIDRPODQJJHKX-HXUWFJFHSA-N 2 1 320.440 3.259 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000565259974 315248042 /nfs/dbraw/zinc/24/80/42/315248042.db2.gz RMYVEYLMZYWNOL-UFYCRDLUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000565259974 315248045 /nfs/dbraw/zinc/24/80/45/315248045.db2.gz RMYVEYLMZYWNOL-UFYCRDLUSA-N 2 1 316.489 3.353 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000565508711 315266588 /nfs/dbraw/zinc/26/65/88/315266588.db2.gz RVDQTXYZHIAYIY-UHFFFAOYSA-N 2 1 324.428 3.270 20 0 DGADMP COc1nc2ccccc2cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000565508711 315266591 /nfs/dbraw/zinc/26/65/91/315266591.db2.gz RVDQTXYZHIAYIY-UHFFFAOYSA-N 2 1 324.428 3.270 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@H]3CCOC3)C2)s1 ZINC000565719311 315282780 /nfs/dbraw/zinc/28/27/80/315282780.db2.gz IHSKZAZRMASDEY-DLBZAZTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@H]3CCOC3)C2)s1 ZINC000565719311 315282783 /nfs/dbraw/zinc/28/27/83/315282783.db2.gz IHSKZAZRMASDEY-DLBZAZTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@H]3CCOC3)C2)s1 ZINC000565719311 315282786 /nfs/dbraw/zinc/28/27/86/315282786.db2.gz IHSKZAZRMASDEY-DLBZAZTESA-N 2 1 322.518 3.237 20 0 DGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@@H+]1C1CC1 ZINC000565982468 315301770 /nfs/dbraw/zinc/30/17/70/315301770.db2.gz BOPKYBUJBSUEGH-YPMHNXCESA-N 2 1 301.821 3.347 20 0 DGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@H+]1C1CC1 ZINC000565982468 315301773 /nfs/dbraw/zinc/30/17/73/315301773.db2.gz BOPKYBUJBSUEGH-YPMHNXCESA-N 2 1 301.821 3.347 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000566690694 315367932 /nfs/dbraw/zinc/36/79/32/315367932.db2.gz GWUJUIHJCQXYPZ-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000566975741 315387260 /nfs/dbraw/zinc/38/72/60/315387260.db2.gz IWKHGWGRXQRIED-XHSDSOJGSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000566975741 315387262 /nfs/dbraw/zinc/38/72/62/315387262.db2.gz IWKHGWGRXQRIED-XHSDSOJGSA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000575828417 316066548 /nfs/dbraw/zinc/06/65/48/316066548.db2.gz PILRVHVGGLKWQA-BWPNAZKDSA-N 2 1 316.489 3.097 20 0 DGADMP c1ccc2c(c1)CC[C@@]1(CC[N@@H+](CCC[NH+]3CCCCC3)C1)O2 ZINC000575957635 316078703 /nfs/dbraw/zinc/07/87/03/316078703.db2.gz JNSLBHUKKRJART-FQEVSTJZSA-N 2 1 314.473 3.332 20 0 DGADMP c1ccc2c(c1)CC[C@@]1(CC[N@H+](CCC[NH+]3CCCCC3)C1)O2 ZINC000575957635 316078706 /nfs/dbraw/zinc/07/87/06/316078706.db2.gz JNSLBHUKKRJART-FQEVSTJZSA-N 2 1 314.473 3.332 20 0 DGADMP CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c2ccccn21 ZINC000576830707 316172963 /nfs/dbraw/zinc/17/29/63/316172963.db2.gz WAVCANZEDRSHSU-MRXNPFEDSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c2ccccn21 ZINC000576830707 316172964 /nfs/dbraw/zinc/17/29/64/316172964.db2.gz WAVCANZEDRSHSU-MRXNPFEDSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c2ccccn21 ZINC000576830707 316172966 /nfs/dbraw/zinc/17/29/66/316172966.db2.gz WAVCANZEDRSHSU-MRXNPFEDSA-N 2 1 314.477 3.372 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCc2cncn2C)C1(CC)CC ZINC000577408449 316233617 /nfs/dbraw/zinc/23/36/17/316233617.db2.gz XXAJBWMJIPQVNB-IAGOWNOFSA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408449 316233620 /nfs/dbraw/zinc/23/36/20/316233620.db2.gz XXAJBWMJIPQVNB-IAGOWNOFSA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408449 316233622 /nfs/dbraw/zinc/23/36/22/316233622.db2.gz XXAJBWMJIPQVNB-IAGOWNOFSA-N 2 1 307.482 3.268 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000577561470 316247589 /nfs/dbraw/zinc/24/75/89/316247589.db2.gz QEODMROMHDVOTE-HNNXBMFYSA-N 2 1 316.367 3.366 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000577989510 316291735 /nfs/dbraw/zinc/29/17/35/316291735.db2.gz GDTJGVQMXLQCOW-QAPCUYQASA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000577989510 316291740 /nfs/dbraw/zinc/29/17/40/316291740.db2.gz GDTJGVQMXLQCOW-QAPCUYQASA-N 2 1 304.478 3.263 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc2nccn21 ZINC000180062848 323220943 /nfs/dbraw/zinc/22/09/43/323220943.db2.gz WTDBZFCYNTXEKY-HNNXBMFYSA-N 2 1 309.413 3.406 20 0 DGADMP CCC[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000180248417 323224160 /nfs/dbraw/zinc/22/41/60/323224160.db2.gz SFCWEBFGQFKFJZ-IBGZPJMESA-N 2 1 318.505 3.349 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CC3 ZINC000180507314 323231094 /nfs/dbraw/zinc/23/10/94/323231094.db2.gz PBWJGPCLNGPZST-HZPDHXFCSA-N 2 1 311.473 3.265 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000580311326 323982376 /nfs/dbraw/zinc/98/23/76/323982376.db2.gz HRUKIXRSAYREHV-RKDXNWHRSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000581938050 324170274 /nfs/dbraw/zinc/17/02/74/324170274.db2.gz ZLTILXKHBHLXKU-XJKSGUPXSA-N 2 1 323.868 3.179 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117393 324191301 /nfs/dbraw/zinc/19/13/01/324191301.db2.gz OTYASSMVNWFWIB-QILLFSRXSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117393 324191308 /nfs/dbraw/zinc/19/13/08/324191308.db2.gz OTYASSMVNWFWIB-QILLFSRXSA-N 2 1 322.880 3.021 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000582366491 324221954 /nfs/dbraw/zinc/22/19/54/324221954.db2.gz SEKWMGDZIHCHED-MRXNPFEDSA-N 2 1 304.478 3.264 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000582366491 324221956 /nfs/dbraw/zinc/22/19/56/324221956.db2.gz SEKWMGDZIHCHED-MRXNPFEDSA-N 2 1 304.478 3.264 20 0 DGADMP Cc1ccncc1CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000583050824 324306459 /nfs/dbraw/zinc/30/64/59/324306459.db2.gz KPYMUGYHXPOPKK-UHFFFAOYSA-N 2 1 303.494 3.375 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000292797701 533779517 /nfs/dbraw/zinc/77/95/17/533779517.db2.gz NDGLMQVPGDATBR-HNAYVOBHSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292797701 533779524 /nfs/dbraw/zinc/77/95/24/533779524.db2.gz NDGLMQVPGDATBR-HNAYVOBHSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000292797701 533779533 /nfs/dbraw/zinc/77/95/33/533779533.db2.gz NDGLMQVPGDATBR-HNAYVOBHSA-N 2 1 320.452 3.041 20 0 DGADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCc1ccccc1 ZINC000435381139 533781837 /nfs/dbraw/zinc/78/18/37/533781837.db2.gz ROQBCUTWSMHOIW-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(Cc2ccccc2)c1 ZINC000295938667 533815497 /nfs/dbraw/zinc/81/54/97/533815497.db2.gz LIPRICTVHNWPGW-FAXKSRBJSA-N 2 1 324.472 3.207 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(Cc2ccccc2)c1 ZINC000295938667 533815503 /nfs/dbraw/zinc/81/55/03/533815503.db2.gz LIPRICTVHNWPGW-FAXKSRBJSA-N 2 1 324.472 3.207 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309886838 533851131 /nfs/dbraw/zinc/85/11/31/533851131.db2.gz ZPBPVVRTZSXMJQ-AOIWGVFYSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309886838 533851140 /nfs/dbraw/zinc/85/11/40/533851140.db2.gz ZPBPVVRTZSXMJQ-AOIWGVFYSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2F)CCCO1 ZINC000432350990 533939605 /nfs/dbraw/zinc/93/96/05/533939605.db2.gz HMLGQNUNIAPUJN-PRSOIBJXSA-N 2 1 324.415 3.069 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415086754 533992260 /nfs/dbraw/zinc/99/22/60/533992260.db2.gz KEQDWEUTKRECTK-AVGNSLFASA-N 2 1 310.413 3.024 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423024419 534208434 /nfs/dbraw/zinc/20/84/34/534208434.db2.gz JGCBFFZJPKKLEM-GOEBONIOSA-N 2 1 316.445 3.305 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309736440 534419543 /nfs/dbraw/zinc/41/95/43/534419543.db2.gz QRKSMZPKXMCWCR-LJQANCHMSA-N 2 1 309.457 3.392 20 0 DGADMP c1ccc(CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCOC2)cc1 ZINC000444590399 534486484 /nfs/dbraw/zinc/48/64/84/534486484.db2.gz ALHRTMMRCDPSHK-FQEVSTJZSA-N 2 1 316.489 3.196 20 0 DGADMP c1ccc(CC[N@H+](CCC[NH+]2CCCCC2)[C@H]2CCOC2)cc1 ZINC000444590399 534486492 /nfs/dbraw/zinc/48/64/92/534486492.db2.gz ALHRTMMRCDPSHK-FQEVSTJZSA-N 2 1 316.489 3.196 20 0 DGADMP Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000415051049 534529896 /nfs/dbraw/zinc/52/98/96/534529896.db2.gz ZGUQECIRXJMHPV-CYBMUJFWSA-N 2 1 320.433 3.022 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157779874 523248790 /nfs/dbraw/zinc/24/87/90/523248790.db2.gz QCHSGJSMSBCSGH-DLBZAZTESA-N 2 1 306.498 3.152 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157779874 523248794 /nfs/dbraw/zinc/24/87/94/523248794.db2.gz QCHSGJSMSBCSGH-DLBZAZTESA-N 2 1 306.498 3.152 20 0 DGADMP Cc1cnn(CCCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157490894 526260819 /nfs/dbraw/zinc/26/08/19/526260819.db2.gz VIXOBUGZQVBSSA-IBGZPJMESA-N 2 1 318.509 3.312 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000430601452 527170575 /nfs/dbraw/zinc/17/05/75/527170575.db2.gz UIMHPALHLQWKCO-RDJZCZTQSA-N 2 1 302.462 3.374 20 0 DGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423211764 527446205 /nfs/dbraw/zinc/44/62/05/527446205.db2.gz YUNJKUDBMCEJNZ-WMZOPIPTSA-N 2 1 302.462 3.304 20 0 DGADMP CC(C)OC1CC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000428071294 527881336 /nfs/dbraw/zinc/88/13/36/527881336.db2.gz FSUAXOLPKNWINR-IPJUCJBFSA-N 2 1 304.478 3.443 20 0 DGADMP CC(C)CCn1cccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432350931 527886981 /nfs/dbraw/zinc/88/69/81/527886981.db2.gz GSKGBQIMIDUMOJ-SFHVURJKSA-N 2 1 321.509 3.125 20 0 DGADMP CC(C)CCn1cccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432350931 527886986 /nfs/dbraw/zinc/88/69/86/527886986.db2.gz GSKGBQIMIDUMOJ-SFHVURJKSA-N 2 1 321.509 3.125 20 0 DGADMP CC(C)OCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434680989 527937889 /nfs/dbraw/zinc/93/78/89/527937889.db2.gz MLAUJNVGPOAEBZ-UHFFFAOYSA-N 2 1 305.466 3.214 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000295024339 528150948 /nfs/dbraw/zinc/15/09/48/528150948.db2.gz CPOFZLZXOFIAON-LJQANCHMSA-N 2 1 322.468 3.237 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060111 528197493 /nfs/dbraw/zinc/19/74/93/528197493.db2.gz ODKJNIOYZLRFCE-HOTGVXAUSA-N 2 1 317.477 3.198 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000317193640 528508823 /nfs/dbraw/zinc/50/88/23/528508823.db2.gz KNUWVYNLFSYLAJ-ZDUSSCGKSA-N 2 1 322.478 3.036 20 0 DGADMP CCCOc1c(Cl)cc(C[N@H+](C)CCC[NH2+]C)cc1OC ZINC000415127982 528613438 /nfs/dbraw/zinc/61/34/38/528613438.db2.gz JDHDTORGGWOWCV-UHFFFAOYSA-N 2 1 314.857 3.179 20 0 DGADMP CCCOc1c(Cl)cc(C[N@@H+](C)CCC[NH2+]C)cc1OC ZINC000415127982 528613443 /nfs/dbraw/zinc/61/34/43/528613443.db2.gz JDHDTORGGWOWCV-UHFFFAOYSA-N 2 1 314.857 3.179 20 0 DGADMP CCCc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442874010 528630326 /nfs/dbraw/zinc/63/03/26/528630326.db2.gz LLBQXUQHDJDJIV-KRWDZBQOSA-N 2 1 317.521 3.316 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414944322 528675756 /nfs/dbraw/zinc/67/57/56/528675756.db2.gz GPMVMOCOXKQVJF-GOEBONIOSA-N 2 1 306.450 3.104 20 0 DGADMP CCCCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422967800 528711055 /nfs/dbraw/zinc/71/10/55/528711055.db2.gz COSMTQDDTTWTBH-RCCFBDPRSA-N 2 1 317.477 3.271 20 0 DGADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429547415 528713216 /nfs/dbraw/zinc/71/32/16/528713216.db2.gz LXGBPMNHIRKLME-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCCOc1ccc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429547415 528713220 /nfs/dbraw/zinc/71/32/20/528713220.db2.gz LXGBPMNHIRKLME-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435616287 528763157 /nfs/dbraw/zinc/76/31/57/528763157.db2.gz KIVYAXULCXIBGF-MRXNPFEDSA-N 2 1 317.408 3.445 20 0 DGADMP CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435616287 528763160 /nfs/dbraw/zinc/76/31/60/528763160.db2.gz KIVYAXULCXIBGF-MRXNPFEDSA-N 2 1 317.408 3.445 20 0 DGADMP CC[N@@H+](Cc1cc(Br)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435387566 528764325 /nfs/dbraw/zinc/76/43/25/528764325.db2.gz AQOBQUKRMLJYTA-LBPRGKRZSA-N 2 1 317.296 3.475 20 0 DGADMP CC[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435382678 528768166 /nfs/dbraw/zinc/76/81/66/528768166.db2.gz FBNJSDYRHILTBK-OAHLLOKOSA-N 2 1 302.418 3.405 20 0 DGADMP CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435382282 528788545 /nfs/dbraw/zinc/78/85/45/528788545.db2.gz CWWXWTVGCLILQQ-ZDUSSCGKSA-N 2 1 316.367 3.391 20 0 DGADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442916864 528825542 /nfs/dbraw/zinc/82/55/42/528825542.db2.gz DWDJRSHWARWUNZ-HNNXBMFYSA-N 2 1 300.450 3.007 20 0 DGADMP CC[N@H+](Cc1cn(-c2ccccc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435388526 528863287 /nfs/dbraw/zinc/86/32/87/528863287.db2.gz GFZCXXXIOKDRDU-SFHVURJKSA-N 2 1 312.461 3.145 20 0 DGADMP CC[N@@H+](Cc1cn(-c2ccccc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435388526 528863293 /nfs/dbraw/zinc/86/32/93/528863293.db2.gz GFZCXXXIOKDRDU-SFHVURJKSA-N 2 1 312.461 3.145 20 0 DGADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000433138990 528994069 /nfs/dbraw/zinc/99/40/69/528994069.db2.gz UYYJBSLYDKNXKQ-YJBOKZPZSA-N 2 1 317.477 3.230 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2CNc2cc[nH+]c(C)c2)CC1 ZINC000302258907 529149764 /nfs/dbraw/zinc/14/97/64/529149764.db2.gz COKGVYUIDQOGJE-UHFFFAOYSA-N 2 1 324.472 3.140 20 0 DGADMP CC[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432347104 529361097 /nfs/dbraw/zinc/36/10/97/529361097.db2.gz NSLQYAFNMJTICR-ZWKOTPCHSA-N 2 1 304.478 3.271 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)c2C1 ZINC000449341075 535001751 /nfs/dbraw/zinc/00/17/51/535001751.db2.gz ROPPXFWBYBINMF-KRWDZBQOSA-N 2 1 317.477 3.375 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)c2C1 ZINC000449341075 535001759 /nfs/dbraw/zinc/00/17/59/535001759.db2.gz ROPPXFWBYBINMF-KRWDZBQOSA-N 2 1 317.477 3.375 20 0 DGADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449079008 535703741 /nfs/dbraw/zinc/70/37/41/535703741.db2.gz NMSXIEKMFBFFTK-IBGZPJMESA-N 2 1 309.542 3.353 20 0 DGADMP C[NH+]1CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000449452459 536343567 /nfs/dbraw/zinc/34/35/67/536343567.db2.gz FYFLZAAYXJVXTC-NSCUHMNNSA-N 2 1 309.251 3.146 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000470108037 536521461 /nfs/dbraw/zinc/52/14/61/536521461.db2.gz SCRNAQNKDVGDPH-QGTPRVQTSA-N 2 1 320.452 3.229 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000470108037 536521468 /nfs/dbraw/zinc/52/14/68/536521468.db2.gz SCRNAQNKDVGDPH-QGTPRVQTSA-N 2 1 320.452 3.229 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081630650 545773416 /nfs/dbraw/zinc/77/34/16/545773416.db2.gz MHWOSCHQTBBDQP-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081630650 545773421 /nfs/dbraw/zinc/77/34/21/545773421.db2.gz MHWOSCHQTBBDQP-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000081630650 545773425 /nfs/dbraw/zinc/77/34/25/545773425.db2.gz MHWOSCHQTBBDQP-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000081630650 545773427 /nfs/dbraw/zinc/77/34/27/545773427.db2.gz MHWOSCHQTBBDQP-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000088670591 545811848 /nfs/dbraw/zinc/81/18/48/545811848.db2.gz YGENCMXJUXIBIZ-FXAWDEMLSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(Cl)c1 ZINC000090115791 545823154 /nfs/dbraw/zinc/82/31/54/545823154.db2.gz KRCGOEFRMVJBTH-VNQPRFMTSA-N 2 1 308.853 3.324 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1C ZINC000090218841 545824421 /nfs/dbraw/zinc/82/44/21/545824421.db2.gz UUGOLORNKZOPRL-RCCFBDPRSA-N 2 1 302.462 3.369 20 0 DGADMP CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000119094904 545876290 /nfs/dbraw/zinc/87/62/90/545876290.db2.gz FYDDNWBUQQISKY-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000119094904 545876293 /nfs/dbraw/zinc/87/62/93/545876293.db2.gz FYDDNWBUQQISKY-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000137380697 545984188 /nfs/dbraw/zinc/98/41/88/545984188.db2.gz AACQZQVQOLRDKC-LJQANCHMSA-N 2 1 310.441 3.436 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000154883721 546022476 /nfs/dbraw/zinc/02/24/76/546022476.db2.gz URALIUCKTADZOK-KRWDZBQOSA-N 3 1 317.521 3.347 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000156873924 546036884 /nfs/dbraw/zinc/03/68/84/546036884.db2.gz CCLHZVGSQXWOST-DOMZBBRYSA-N 2 1 300.368 3.320 20 0 DGADMP c1coc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)c1 ZINC000165967311 546094268 /nfs/dbraw/zinc/09/42/68/546094268.db2.gz VBBOVEPSRCWTHL-KSZLIROESA-N 2 1 317.477 3.023 20 0 DGADMP CCC(CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000166107044 546095044 /nfs/dbraw/zinc/09/50/44/546095044.db2.gz RKINOLYTRJWBGI-OTWHNJEPSA-N 3 1 307.526 3.103 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000180298928 546143165 /nfs/dbraw/zinc/14/31/65/546143165.db2.gz WQWOAEGPGYYDFI-AWEZNQCLSA-N 2 1 300.450 3.409 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000189183625 546210243 /nfs/dbraw/zinc/21/02/43/546210243.db2.gz IOZDPOQEUSMWGO-GOSISDBHSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000189183625 546210248 /nfs/dbraw/zinc/21/02/48/546210248.db2.gz IOZDPOQEUSMWGO-GOSISDBHSA-N 2 1 306.425 3.155 20 0 DGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC(C)(C)[NH3+])c1 ZINC000236726592 546281162 /nfs/dbraw/zinc/28/11/62/546281162.db2.gz WSTXLRWEFGVDBM-UHFFFAOYSA-N 2 1 319.493 3.052 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)CCO2 ZINC000247040939 546308168 /nfs/dbraw/zinc/30/81/68/546308168.db2.gz LTDJXMMTLALJJN-JCGIZDLHSA-N 2 1 318.461 3.229 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)CCO2 ZINC000247040939 546308169 /nfs/dbraw/zinc/30/81/69/546308169.db2.gz LTDJXMMTLALJJN-JCGIZDLHSA-N 2 1 318.461 3.229 20 0 DGADMP c1coc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCCC2)c1 ZINC000247041662 546308202 /nfs/dbraw/zinc/30/82/02/546308202.db2.gz VBBOVEPSRCWTHL-BZSNNMDCSA-N 2 1 317.477 3.023 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]4CC[C@@H]2O4)C3)cc1 ZINC000249036228 546323776 /nfs/dbraw/zinc/32/37/76/546323776.db2.gz SRHNRUBWMOBFRC-BGSOWLKRSA-N 2 1 312.457 3.092 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176535 546386315 /nfs/dbraw/zinc/38/63/15/546386315.db2.gz IHIWDEISSVGYRC-HZPDHXFCSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176535 546386319 /nfs/dbraw/zinc/38/63/19/546386319.db2.gz IHIWDEISSVGYRC-HZPDHXFCSA-N 2 1 310.445 3.007 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312127 546386327 /nfs/dbraw/zinc/38/63/27/546386327.db2.gz RVLDRSQWIGFMKX-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312127 546386328 /nfs/dbraw/zinc/38/63/28/546386328.db2.gz RVLDRSQWIGFMKX-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[N@H+](Cc1cscc1Br)CC1CC[NH+](C)CC1 ZINC000289441617 546412922 /nfs/dbraw/zinc/41/29/22/546412922.db2.gz WOUVMSOFCVQRAR-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000288819405 546411078 /nfs/dbraw/zinc/41/10/78/546411078.db2.gz MZKOQCMUAIUJPX-MRXNPFEDSA-N 2 1 307.825 3.212 20 0 DGADMP C[N@@H+](Cc1cscc1Br)CC1CC[NH+](C)CC1 ZINC000289441617 546412918 /nfs/dbraw/zinc/41/29/18/546412918.db2.gz WOUVMSOFCVQRAR-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763046 546451470 /nfs/dbraw/zinc/45/14/70/546451470.db2.gz FEVPVFBGFCFXAC-UOVPBQLFSA-N 2 1 304.503 3.381 20 0 DGADMP CCN(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339068115 546532147 /nfs/dbraw/zinc/53/21/47/546532147.db2.gz OBMMECUBCSQHJU-HKUYNNGSSA-N 2 1 301.478 3.119 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072634 546532924 /nfs/dbraw/zinc/53/29/24/546532924.db2.gz XWCRHNLWTKMILA-MOPGFXCFSA-N 2 1 302.462 3.330 20 0 DGADMP CN(C)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000339070273 546533656 /nfs/dbraw/zinc/53/36/56/546533656.db2.gz KQZINSNIPYBMQU-SJORKVTESA-N 2 1 324.472 3.017 20 0 DGADMP c1ccc([C@H](C[NH+]2CCCC2)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339071062 546533706 /nfs/dbraw/zinc/53/37/06/546533706.db2.gz PZPZPVVSKXZQQK-AABGKKOBSA-N 2 1 313.489 3.040 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnn1-c1ccccc1 ZINC000342727139 546558412 /nfs/dbraw/zinc/55/84/12/546558412.db2.gz CEENLWSPWWVNQE-QGZVFWFLSA-N 2 1 312.461 3.399 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1OC ZINC000347191536 546582675 /nfs/dbraw/zinc/58/26/75/546582675.db2.gz HMXSYIDKCMOXMG-RDJZCZTQSA-N 2 1 305.466 3.080 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H]3C3CC3)CCCC2)CC1 ZINC000348119236 546586378 /nfs/dbraw/zinc/58/63/78/546586378.db2.gz NSJDDFRJXLXIJL-QZTJIDSGSA-N 2 1 306.494 3.188 20 0 DGADMP Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000383756911 546741836 /nfs/dbraw/zinc/74/18/36/546741836.db2.gz DCNKOILCZFMLLY-HLAWJBBLSA-N 2 1 322.452 3.392 20 0 DGADMP CCC[N@@H+]1CC[C@@H](NCc2ccc(Cl)c3cccnc23)C1 ZINC000389404741 546752133 /nfs/dbraw/zinc/75/21/33/546752133.db2.gz QLZLHIYBUJQROJ-CQSZACIVSA-N 2 1 303.837 3.462 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000414181126 546781098 /nfs/dbraw/zinc/78/10/98/546781098.db2.gz LTYVNZUFRLNQRY-ZSYWTGECSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000414181126 546781102 /nfs/dbraw/zinc/78/11/02/546781102.db2.gz LTYVNZUFRLNQRY-ZSYWTGECSA-N 2 1 314.473 3.369 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000521054641 546964627 /nfs/dbraw/zinc/96/46/27/546964627.db2.gz HAYOQJBJQKQOME-NQYYFHDYSA-N 2 1 304.478 3.209 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000521054641 546964634 /nfs/dbraw/zinc/96/46/34/546964634.db2.gz HAYOQJBJQKQOME-NQYYFHDYSA-N 2 1 304.478 3.209 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000559857021 547001065 /nfs/dbraw/zinc/00/10/65/547001065.db2.gz NLOZUFKVESCAQV-AABGKKOBSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559857021 547001067 /nfs/dbraw/zinc/00/10/67/547001067.db2.gz NLOZUFKVESCAQV-AABGKKOBSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559857021 547001070 /nfs/dbraw/zinc/00/10/70/547001070.db2.gz NLOZUFKVESCAQV-AABGKKOBSA-N 2 1 315.505 3.286 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660660132 547080876 /nfs/dbraw/zinc/08/08/76/547080876.db2.gz URTQWJROVBEFME-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660660132 547080880 /nfs/dbraw/zinc/08/08/80/547080880.db2.gz URTQWJROVBEFME-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660660132 547080885 /nfs/dbraw/zinc/08/08/85/547080885.db2.gz URTQWJROVBEFME-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660660132 547080889 /nfs/dbraw/zinc/08/08/89/547080889.db2.gz URTQWJROVBEFME-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2CCC)CC1 ZINC000667501617 547204353 /nfs/dbraw/zinc/20/43/53/547204353.db2.gz DAOHQKDFSNAFAX-UHFFFAOYSA-N 2 1 306.498 3.237 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000667809550 547308490 /nfs/dbraw/zinc/30/84/90/547308490.db2.gz LKIYXNLYSRJCOE-OALUTQOASA-N 2 1 302.462 3.184 20 0 DGADMP COCc1csc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000668150747 547395898 /nfs/dbraw/zinc/39/58/98/547395898.db2.gz GJUWHBBEMAHSCU-UHFFFAOYSA-N 2 1 322.474 3.441 20 0 DGADMP COCc1csc(CN(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000668150747 547395905 /nfs/dbraw/zinc/39/59/05/547395905.db2.gz GJUWHBBEMAHSCU-UHFFFAOYSA-N 2 1 322.474 3.441 20 0 DGADMP COCc1csc(CN(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000668150747 547395909 /nfs/dbraw/zinc/39/59/09/547395909.db2.gz GJUWHBBEMAHSCU-UHFFFAOYSA-N 2 1 322.474 3.441 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cncc(OC)c1 ZINC000668160989 547398398 /nfs/dbraw/zinc/39/83/98/547398398.db2.gz NRPMUTBPLJHUED-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000668169423 547401159 /nfs/dbraw/zinc/40/11/59/547401159.db2.gz QOXKGAKITZIUKL-INIZCTEOSA-N 2 1 308.491 3.058 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccncc3s2)C1 ZINC000668172348 547403248 /nfs/dbraw/zinc/40/32/48/547403248.db2.gz LSZQIDVGQIHSDF-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172348 547403251 /nfs/dbraw/zinc/40/32/51/547403251.db2.gz LSZQIDVGQIHSDF-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172348 547403255 /nfs/dbraw/zinc/40/32/55/547403255.db2.gz LSZQIDVGQIHSDF-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP CCC[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740329 547526448 /nfs/dbraw/zinc/52/64/48/547526448.db2.gz TZTMOXJBTUTAJZ-QUCCMNQESA-N 2 1 316.489 3.101 20 0 DGADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCc2ccccc21 ZINC000668756218 547531961 /nfs/dbraw/zinc/53/19/61/547531961.db2.gz WZZXJOPEXTWDPE-KRWDZBQOSA-N 2 1 318.424 3.429 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCC3)CCO1 ZINC000668784452 547540113 /nfs/dbraw/zinc/54/01/13/547540113.db2.gz CSOHWZKYBUCQHG-HXUWFJFHSA-N 2 1 316.489 3.108 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CCO1 ZINC000668784452 547540115 /nfs/dbraw/zinc/54/01/15/547540115.db2.gz CSOHWZKYBUCQHG-HXUWFJFHSA-N 2 1 316.489 3.108 20 0 DGADMP C[C@@H](CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785011 547541093 /nfs/dbraw/zinc/54/10/93/547541093.db2.gz LHQZTLOPQVYUMQ-HKUYNNGSSA-N 2 1 304.478 3.223 20 0 DGADMP C[C@@H](CCCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000669851620 547694745 /nfs/dbraw/zinc/69/47/45/547694745.db2.gz KPJHKDCZZHZZNN-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H](CCCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000669851620 547694748 /nfs/dbraw/zinc/69/47/48/547694748.db2.gz KPJHKDCZZHZZNN-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1Oc1ccccc1 ZINC000671294810 547784552 /nfs/dbraw/zinc/78/45/52/547784552.db2.gz FLNPLHTWBXGXQM-RWQQGDIJSA-N 2 1 314.473 3.449 20 0 DGADMP CCOC1CC(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671686258 547808978 /nfs/dbraw/zinc/80/89/78/547808978.db2.gz FVCBRZHKIIHFQO-IHJVYAAUSA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1Cl ZINC000671753139 547827533 /nfs/dbraw/zinc/82/75/33/547827533.db2.gz ANWGREFYQTVKSB-XOYOTBSWSA-N 2 1 322.880 3.490 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671762236 547829670 /nfs/dbraw/zinc/82/96/70/547829670.db2.gz LIBVOZYBFLDSMR-CYBMUJFWSA-N 2 1 317.433 3.306 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000671770668 547831398 /nfs/dbraw/zinc/83/13/98/547831398.db2.gz WNSVJOQFEBRLFN-PBHICJAKSA-N 2 1 321.440 3.007 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000671770668 547831401 /nfs/dbraw/zinc/83/14/01/547831401.db2.gz WNSVJOQFEBRLFN-PBHICJAKSA-N 2 1 321.440 3.007 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301979 548059147 /nfs/dbraw/zinc/05/91/47/548059147.db2.gz IHOQPCOZJCVBRC-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301979 548059149 /nfs/dbraw/zinc/05/91/49/548059149.db2.gz IHOQPCOZJCVBRC-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301979 548059152 /nfs/dbraw/zinc/05/91/52/548059152.db2.gz IHOQPCOZJCVBRC-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301979 548059155 /nfs/dbraw/zinc/05/91/55/548059155.db2.gz IHOQPCOZJCVBRC-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000675780460 548269685 /nfs/dbraw/zinc/26/96/85/548269685.db2.gz OXENYYZHXGNVGF-QGZVFWFLSA-N 3 1 317.521 3.347 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881182 548283553 /nfs/dbraw/zinc/28/35/53/548283553.db2.gz KJSIYZHLMGLEJX-CEXWTWQISA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881185 548283562 /nfs/dbraw/zinc/28/35/62/548283562.db2.gz KJSIYZHLMGLEJX-QYZOEREBSA-N 2 1 308.510 3.434 20 0 DGADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881197 548283573 /nfs/dbraw/zinc/28/35/73/548283573.db2.gz KKBUEBPKWIDUGR-DNVCBOLYSA-N 2 1 318.436 3.046 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncs1 ZINC000676044781 548310860 /nfs/dbraw/zinc/31/08/60/548310860.db2.gz JPNFNPMSUFEBPV-HWWDLCQESA-N 2 1 315.486 3.389 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncs1 ZINC000676044781 548310865 /nfs/dbraw/zinc/31/08/65/548310865.db2.gz JPNFNPMSUFEBPV-HWWDLCQESA-N 2 1 315.486 3.389 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237460 548473820 /nfs/dbraw/zinc/47/38/20/548473820.db2.gz ISNNWAZPEDFQON-JKSUJKDBSA-N 2 1 302.462 3.189 20 0 DGADMP c1ccc2c(c1)cccc2OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238172 548474080 /nfs/dbraw/zinc/47/40/80/548474080.db2.gz WHRWZKGCGRHNRC-ROUUACIJSA-N 2 1 310.441 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000678073351 548607218 /nfs/dbraw/zinc/60/72/18/548607218.db2.gz RSFMHAFFWQBLBS-KDURUIRLSA-N 2 1 324.472 3.040 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000678073351 548607222 /nfs/dbraw/zinc/60/72/22/548607222.db2.gz RSFMHAFFWQBLBS-KDURUIRLSA-N 2 1 324.472 3.040 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000678212603 548640437 /nfs/dbraw/zinc/64/04/37/548640437.db2.gz ANOXLXMPOPEEAA-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678284778 548670130 /nfs/dbraw/zinc/67/01/30/548670130.db2.gz HMDUXJSKMVJBMM-IBGZPJMESA-N 2 1 316.489 3.497 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C\c1ccc(F)cc1 ZINC000678340534 548683179 /nfs/dbraw/zinc/68/31/79/548683179.db2.gz TYRBZQHGEYMNEP-ROOWYXCHSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C\c1ccc(F)cc1 ZINC000678340534 548683180 /nfs/dbraw/zinc/68/31/80/548683180.db2.gz TYRBZQHGEYMNEP-ROOWYXCHSA-N 2 1 318.436 3.022 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1C ZINC000678595588 548735544 /nfs/dbraw/zinc/73/55/44/548735544.db2.gz UUGOLORNKZOPRL-FGTMMUONSA-N 2 1 302.462 3.369 20 0 DGADMP c1csc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000678685641 548751303 /nfs/dbraw/zinc/75/13/03/548751303.db2.gz KBMXWPRTXGWMMW-FUHWJXTLSA-N 2 1 320.502 3.432 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000679349531 548883169 /nfs/dbraw/zinc/88/31/69/548883169.db2.gz SHYPBKUPQUWDGW-RMJJICAUSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721498 548944020 /nfs/dbraw/zinc/94/40/20/548944020.db2.gz PCTYTUNHYISUDG-HUUCEWRRSA-N 2 1 312.461 3.306 20 0 DGADMP C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721498 548944023 /nfs/dbraw/zinc/94/40/23/548944023.db2.gz PCTYTUNHYISUDG-HUUCEWRRSA-N 2 1 312.461 3.306 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000681089675 549158026 /nfs/dbraw/zinc/15/80/26/549158026.db2.gz SDUVKHPIMFZDDP-AWEZNQCLSA-N 2 1 317.408 3.443 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681220111 549177299 /nfs/dbraw/zinc/17/72/99/549177299.db2.gz JPGXPWKHDACGGC-HSALFYBXSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681220111 549177300 /nfs/dbraw/zinc/17/73/00/549177300.db2.gz JPGXPWKHDACGGC-HSALFYBXSA-N 2 1 318.505 3.284 20 0 DGADMP C[NH+](C)CCOc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000683721634 549525523 /nfs/dbraw/zinc/52/55/23/549525523.db2.gz HVCBQSZIXTZTMA-UHFFFAOYSA-N 2 1 310.401 3.115 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000683844534 549546409 /nfs/dbraw/zinc/54/64/09/549546409.db2.gz QQFQRFFYHVEWNH-KDURUIRLSA-N 2 1 321.468 3.448 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000683844534 549546413 /nfs/dbraw/zinc/54/64/13/549546413.db2.gz QQFQRFFYHVEWNH-KDURUIRLSA-N 2 1 321.468 3.448 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000683844534 549546420 /nfs/dbraw/zinc/54/64/20/549546420.db2.gz QQFQRFFYHVEWNH-KDURUIRLSA-N 2 1 321.468 3.448 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000684410269 549631519 /nfs/dbraw/zinc/63/15/19/549631519.db2.gz CVLSHFFDZVLMTD-KRWDZBQOSA-N 2 1 320.440 3.175 20 0 DGADMP COc1ccccc1/C=C\C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684425245 549635628 /nfs/dbraw/zinc/63/56/28/549635628.db2.gz HUTCDHWYLPERQJ-CLFYSBASSA-N 2 1 300.446 3.315 20 0 DGADMP CN(CC[N@@H+](C)CCC1CCCCCC1)C1CC[NH+](C)CC1 ZINC000685454736 549762501 /nfs/dbraw/zinc/76/25/01/549762501.db2.gz ARTBITXKJALBIU-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP Cc1cn[nH]c1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619425 549781808 /nfs/dbraw/zinc/78/18/08/549781808.db2.gz NSMMKSUYGUDPRU-FUHWJXTLSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000685619425 549781811 /nfs/dbraw/zinc/78/18/11/549781811.db2.gz NSMMKSUYGUDPRU-FUHWJXTLSA-N 2 1 312.461 3.108 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000685619425 549781814 /nfs/dbraw/zinc/78/18/14/549781814.db2.gz NSMMKSUYGUDPRU-FUHWJXTLSA-N 2 1 312.461 3.108 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000685664690 549786904 /nfs/dbraw/zinc/78/69/04/549786904.db2.gz CKBLHGNQACINRQ-ZGXWSNOMSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@H](C[NH2+][C@H](CC)Cc1ccc(Cl)cc1)C[NH+](C)C ZINC001658880085 1196313289 /nfs/dbraw/zinc/31/32/89/1196313289.db2.gz NJZSSDGEMQLEOZ-IAGOWNOFSA-N 2 1 312.885 3.217 20 0 DGADMP CCCCCCN(C)CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000732264467 574569250 /nfs/dbraw/zinc/56/92/50/574569250.db2.gz SHRNMFKHZJIPOE-UHFFFAOYSA-N 2 1 302.422 3.322 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738881939 574885714 /nfs/dbraw/zinc/88/57/14/574885714.db2.gz LKXWOCUXZXYSDP-SXLOBPIMSA-N 2 1 316.489 3.225 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738881939 574885715 /nfs/dbraw/zinc/88/57/15/574885715.db2.gz LKXWOCUXZXYSDP-SXLOBPIMSA-N 2 1 316.489 3.225 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)oc21 ZINC000749287725 575642746 /nfs/dbraw/zinc/64/27/46/575642746.db2.gz NSWLYXACAYPUAX-HUUCEWRRSA-N 2 1 302.418 3.404 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000916832260 620646015 /nfs/dbraw/zinc/64/60/15/620646015.db2.gz YDRSJEIQIUYONP-UHFFFAOYSA-N 2 1 311.429 3.191 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cnc1Cl ZINC000853094050 620668113 /nfs/dbraw/zinc/66/81/13/620668113.db2.gz XDJVUSHMPYSJPT-HNNXBMFYSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cnc1Cl ZINC000853094050 620668115 /nfs/dbraw/zinc/66/81/15/620668115.db2.gz XDJVUSHMPYSJPT-HNNXBMFYSA-N 2 1 307.869 3.255 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccnn2C2CCC2)CC1 ZINC000891745516 617888413 /nfs/dbraw/zinc/88/84/13/617888413.db2.gz JZMIPBUYJXFHJM-UHFFFAOYSA-N 2 1 304.482 3.160 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106834 617963964 /nfs/dbraw/zinc/96/39/64/617963964.db2.gz YBZAPLCOLXCAGO-RDTXWAMCSA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106834 617963965 /nfs/dbraw/zinc/96/39/65/617963965.db2.gz YBZAPLCOLXCAGO-RDTXWAMCSA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106834 617963967 /nfs/dbraw/zinc/96/39/67/617963967.db2.gz YBZAPLCOLXCAGO-RDTXWAMCSA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106834 617963969 /nfs/dbraw/zinc/96/39/69/617963969.db2.gz YBZAPLCOLXCAGO-RDTXWAMCSA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@H](C)C1 ZINC000892106834 617963971 /nfs/dbraw/zinc/96/39/71/617963971.db2.gz YBZAPLCOLXCAGO-RDTXWAMCSA-N 2 1 306.498 3.243 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)CC1 ZINC000892118059 617965640 /nfs/dbraw/zinc/96/56/40/617965640.db2.gz TYWVMWJMDDDYRP-GOSISDBHSA-N 2 1 300.446 3.066 20 0 DGADMP Cc1[nH+]ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1Br ZINC000892152658 617975962 /nfs/dbraw/zinc/97/59/62/617975962.db2.gz VJGGAWMZQFBIFR-UHFFFAOYSA-N 2 1 321.222 3.260 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000892225099 617989159 /nfs/dbraw/zinc/98/91/59/617989159.db2.gz MCJNDJLXCJAJLX-OALUTQOASA-N 2 1 320.452 3.055 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926574088 618051808 /nfs/dbraw/zinc/05/18/08/618051808.db2.gz UNSFJHXQHOHFOC-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)(C[NH2+]C[C@H]1C[C@]1(C)Br)[NH+]1CCCCC1 ZINC000892433093 618065128 /nfs/dbraw/zinc/06/51/28/618065128.db2.gz RDDHYORILLYXNN-OCCSQVGLSA-N 2 1 303.288 3.014 20 0 DGADMP CC(C)(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000926688946 618088743 /nfs/dbraw/zinc/08/87/43/618088743.db2.gz HZMDWTCBDJCFCQ-OALUTQOASA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)C[NH+]1CCCC1 ZINC000892620505 618120722 /nfs/dbraw/zinc/12/07/22/618120722.db2.gz AYORTFOXXFBFNN-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C ZINC000892633429 618122691 /nfs/dbraw/zinc/12/26/91/618122691.db2.gz VRADPMNBDVSGMU-UHFFFAOYSA-N 2 1 318.461 3.134 20 0 DGADMP CC1(O)CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000892737364 618151359 /nfs/dbraw/zinc/15/13/59/618151359.db2.gz CHANHYMEWYGEKF-KLHKWILBSA-N 2 1 322.518 3.243 20 0 DGADMP CC1(O)CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000892737364 618151361 /nfs/dbraw/zinc/15/13/61/618151361.db2.gz CHANHYMEWYGEKF-KLHKWILBSA-N 2 1 322.518 3.243 20 0 DGADMP CCCCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000854233314 620787281 /nfs/dbraw/zinc/78/72/81/620787281.db2.gz XTYMCBCAGNEZIK-MRXNPFEDSA-N 2 1 314.433 3.052 20 0 DGADMP CCc1c[nH]c2ncnc(NC[C@H]3CC[N@H+](C(C)(C)C)C3)c12 ZINC000894475880 618348689 /nfs/dbraw/zinc/34/86/89/618348689.db2.gz IRTAYOHBMGGBSP-GFCCVEGCSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CC[N@@H+](C(C)(C)C)C3)c12 ZINC000894475880 618348694 /nfs/dbraw/zinc/34/86/94/618348694.db2.gz IRTAYOHBMGGBSP-GFCCVEGCSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CC[N@H+](C(C)(C)C)C3)c12 ZINC000894475880 618348697 /nfs/dbraw/zinc/34/86/97/618348697.db2.gz IRTAYOHBMGGBSP-GFCCVEGCSA-N 2 1 301.438 3.004 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894479448 618350624 /nfs/dbraw/zinc/35/06/24/618350624.db2.gz PTGWRMGZEJTMKP-SFHVURJKSA-N 2 1 318.509 3.245 20 0 DGADMP COCCCC1(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000894479897 618350927 /nfs/dbraw/zinc/35/09/27/618350927.db2.gz VETHRPCKHHOCIZ-GOSISDBHSA-N 2 1 308.510 3.247 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000892946647 618363264 /nfs/dbraw/zinc/36/32/64/618363264.db2.gz JGFYDHAERIHXML-KRWDZBQOSA-N 2 1 301.478 3.108 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2cccn2)c1 ZINC000893085083 618418933 /nfs/dbraw/zinc/41/89/33/618418933.db2.gz FHOKGRYDTPFRKT-MIGBEJBISA-N 2 1 310.445 3.148 20 0 DGADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000925516176 618453301 /nfs/dbraw/zinc/45/33/01/618453301.db2.gz VZIMVVBTYLHQDA-KRWDZBQOSA-N 2 1 321.896 3.035 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000894914006 618498790 /nfs/dbraw/zinc/49/87/90/618498790.db2.gz RPPBFJOLRGWPGG-IBGZPJMESA-N 2 1 314.473 3.182 20 0 DGADMP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893305721 618505769 /nfs/dbraw/zinc/50/57/69/618505769.db2.gz UHKYEFAAEDHTQY-XWIXUBGPSA-N 2 1 306.425 3.117 20 0 DGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925631795 618515478 /nfs/dbraw/zinc/51/54/78/618515478.db2.gz KKRCHLSFIUOHCF-XTBFLFJDSA-N 2 1 305.491 3.195 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925631792 618515617 /nfs/dbraw/zinc/51/56/17/618515617.db2.gz KKRCHLSFIUOHCF-OYNZBZHQSA-N 2 1 305.491 3.195 20 0 DGADMP CCCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2ncsc2C1 ZINC000895125800 618543903 /nfs/dbraw/zinc/54/39/03/618543903.db2.gz NUJOJNKMYAYJRV-INIZCTEOSA-N 2 1 321.534 3.444 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487209 618570199 /nfs/dbraw/zinc/57/01/99/618570199.db2.gz HYBIYTOYUFATPA-ZBFHGGJFSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487209 618570204 /nfs/dbraw/zinc/57/02/04/618570204.db2.gz HYBIYTOYUFATPA-ZBFHGGJFSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(O)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487707 618570217 /nfs/dbraw/zinc/57/02/17/618570217.db2.gz LNXNSROYPKOVBO-DZGCQCFKSA-N 2 1 306.425 3.274 20 0 DGADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1)[NH+](C)C ZINC000895297163 618590532 /nfs/dbraw/zinc/59/05/32/618590532.db2.gz UGIIIKDCLPWSAA-LBPRGKRZSA-N 2 1 306.841 3.160 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000925763805 618604153 /nfs/dbraw/zinc/60/41/53/618604153.db2.gz FBTXQOVYPNMQLH-BZUAXINKSA-N 2 1 307.869 3.444 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925797593 618621790 /nfs/dbraw/zinc/62/17/90/618621790.db2.gz PBJOMMUCVKEONX-ROUUACIJSA-N 2 1 302.462 3.132 20 0 DGADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCC2 ZINC000925810996 618624697 /nfs/dbraw/zinc/62/46/97/618624697.db2.gz BQTJVFFLYJINEM-BFHYXJOUSA-N 2 1 305.491 3.032 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCCC[NH+]1CCCC1 ZINC000920761873 620821611 /nfs/dbraw/zinc/82/16/11/620821611.db2.gz AZEZIYPUCRNQPY-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP C[N@H+](Cc1cc2c(cccc2O)s1)CC1CC[NH+](C)CC1 ZINC000894002244 618692743 /nfs/dbraw/zinc/69/27/43/618692743.db2.gz OCEBLPRMRNDCHJ-UHFFFAOYSA-N 2 1 304.459 3.381 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C/c1cccc(F)c1 ZINC000894094539 618708308 /nfs/dbraw/zinc/70/83/08/618708308.db2.gz LXRWHNGIMADGAA-WFQODNKSSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C/c1cccc(F)c1 ZINC000894094539 618708310 /nfs/dbraw/zinc/70/83/10/618708310.db2.gz LXRWHNGIMADGAA-WFQODNKSSA-N 2 1 318.436 3.022 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894102343 618710768 /nfs/dbraw/zinc/71/07/68/618710768.db2.gz MLMVDHXOAZYEPH-KRWDZBQOSA-N 2 1 310.869 3.301 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894139904 618718863 /nfs/dbraw/zinc/71/88/63/618718863.db2.gz CBOFNSUVGGJBDQ-XUBOLADHSA-N 2 1 316.489 3.239 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000894260206 618743898 /nfs/dbraw/zinc/74/38/98/618743898.db2.gz LPJRCFZGCFVDQJ-MAUKXSAKSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937694 618744580 /nfs/dbraw/zinc/74/45/80/618744580.db2.gz FRDCQZUFRMJEBN-DOTOQJQBSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937694 618744583 /nfs/dbraw/zinc/74/45/83/618744583.db2.gz FRDCQZUFRMJEBN-DOTOQJQBSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937701 618744659 /nfs/dbraw/zinc/74/46/59/618744659.db2.gz FRDCQZUFRMJEBN-WBVHZDCISA-N 2 1 315.486 3.358 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccns1 ZINC000924937701 618744660 /nfs/dbraw/zinc/74/46/60/618744660.db2.gz FRDCQZUFRMJEBN-WBVHZDCISA-N 2 1 315.486 3.358 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C(C)C)c1 ZINC000924956645 618749028 /nfs/dbraw/zinc/74/90/28/618749028.db2.gz AOGJZGUSZKXJGW-MOPGFXCFSA-N 2 1 304.478 3.289 20 0 DGADMP C[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000924959049 618749696 /nfs/dbraw/zinc/74/96/96/618749696.db2.gz RSNOZFKEZHDNQN-VOBGVNJCSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959218 618749845 /nfs/dbraw/zinc/74/98/45/618749845.db2.gz JCZPCRQMORTXTF-FUHWJXTLSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924959218 618749849 /nfs/dbraw/zinc/74/98/49/618749849.db2.gz JCZPCRQMORTXTF-FUHWJXTLSA-N 2 1 318.509 3.454 20 0 DGADMP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000894282905 618751606 /nfs/dbraw/zinc/75/16/06/618751606.db2.gz LRWDRKPUDBLNRI-FBVQUNGASA-N 2 1 321.896 3.158 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508341 618792556 /nfs/dbraw/zinc/79/25/56/618792556.db2.gz FZHKBSQVOZNPSX-BBRMVZONSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508341 618792558 /nfs/dbraw/zinc/79/25/58/618792558.db2.gz FZHKBSQVOZNPSX-BBRMVZONSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CCN1c1cc[nH+]cc1 ZINC000895555840 618798206 /nfs/dbraw/zinc/79/82/06/618798206.db2.gz CHXRJQBIJFWATP-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000895601690 618804528 /nfs/dbraw/zinc/80/45/28/618804528.db2.gz PFPLIWMYGWJYNX-KRWDZBQOSA-N 2 1 315.461 3.094 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000895601690 618804529 /nfs/dbraw/zinc/80/45/29/618804529.db2.gz PFPLIWMYGWJYNX-KRWDZBQOSA-N 2 1 315.461 3.094 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895622624 618808453 /nfs/dbraw/zinc/80/84/53/618808453.db2.gz HOOJTSCYFCVEME-LBKNJMOBSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895622624 618808455 /nfs/dbraw/zinc/80/84/55/618808455.db2.gz HOOJTSCYFCVEME-LBKNJMOBSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccnn1CC1CCC1 ZINC000895682147 618817998 /nfs/dbraw/zinc/81/79/98/618817998.db2.gz BNIWZDZJLGNECT-UHFFFAOYSA-N 2 1 318.509 3.381 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(C2CC2)nc1 ZINC000895683407 618818330 /nfs/dbraw/zinc/81/83/30/618818330.db2.gz LBUSKTZGWUPXMX-UHFFFAOYSA-N 2 1 302.466 3.052 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnn2ccccc12 ZINC000895685074 618818931 /nfs/dbraw/zinc/81/89/31/618818931.db2.gz IXVQDEBUZZXSKO-UHFFFAOYSA-N 2 1 300.450 3.032 20 0 DGADMP COc1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1OC ZINC000895684526 618819007 /nfs/dbraw/zinc/81/90/07/618819007.db2.gz DNCLIBQLYDTUPT-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000895735914 618826274 /nfs/dbraw/zinc/82/62/74/618826274.db2.gz IDNOQWYZJGXASL-UKRRQHHQSA-N 2 1 315.299 3.110 20 0 DGADMP CC(C)C[N@H+](Cc1cnn(C2CCC2)c1)CC1CC[NH+](C)CC1 ZINC000895866809 618844556 /nfs/dbraw/zinc/84/45/56/618844556.db2.gz NZROPDOJCUQIRL-UHFFFAOYSA-N 2 1 318.509 3.408 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)nc1 ZINC000895942330 618853078 /nfs/dbraw/zinc/85/30/78/618853078.db2.gz HZMJMBZTJKESKG-NDNKKMJESA-N 2 1 313.367 3.376 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)nc1 ZINC000895942330 618853079 /nfs/dbraw/zinc/85/30/79/618853079.db2.gz HZMJMBZTJKESKG-NDNKKMJESA-N 2 1 313.367 3.376 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](CCN(C)C)c2cccnc2)CS1 ZINC000896720965 618948312 /nfs/dbraw/zinc/94/83/12/618948312.db2.gz KIROQTPZSQQDKI-ULQDDVLXSA-N 2 1 307.507 3.194 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000897882847 619191082 /nfs/dbraw/zinc/19/10/82/619191082.db2.gz WODZQFBQCBJCEM-NNUKFRKNSA-N 2 1 317.383 3.462 20 0 DGADMP C1=CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000898032558 619207956 /nfs/dbraw/zinc/20/79/56/619207956.db2.gz UIKQNKOXXRKADQ-HKUYNNGSSA-N 2 1 306.494 3.356 20 0 DGADMP C1=CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000898032561 619208125 /nfs/dbraw/zinc/20/81/25/619208125.db2.gz UIKQNKOXXRKADQ-MJGOQNOKSA-N 2 1 306.494 3.356 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC34CCCC4)CC2)cc1 ZINC000898111778 619214815 /nfs/dbraw/zinc/21/48/15/619214815.db2.gz LXDUDQIDBWSVMY-IBGZPJMESA-N 2 1 314.473 3.342 20 0 DGADMP Cc1ncccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000898255917 619228150 /nfs/dbraw/zinc/22/81/50/619228150.db2.gz OQURFOJZKIXUHB-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC000898380845 619240767 /nfs/dbraw/zinc/24/07/67/619240767.db2.gz WGJNQWGJNZABTH-FASAQXTFSA-N 2 1 311.429 3.256 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841054572 619249113 /nfs/dbraw/zinc/24/91/13/619249113.db2.gz FMIFEDIXMAVEJW-ZIAGYGMSSA-N 2 1 318.852 3.194 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)[NH+]1CCCC1 ZINC000924638686 619251457 /nfs/dbraw/zinc/25/14/57/619251457.db2.gz KNUUHJTUGAOGKU-BHIYHBOVSA-N 2 1 301.478 3.257 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000924654148 619254167 /nfs/dbraw/zinc/25/41/67/619254167.db2.gz QEYWKBFURPCTGB-LLVKDONJSA-N 2 1 324.412 3.386 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000924654148 619254168 /nfs/dbraw/zinc/25/41/68/619254168.db2.gz QEYWKBFURPCTGB-LLVKDONJSA-N 2 1 324.412 3.386 20 0 DGADMP COC[C@H](C)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518341 619283485 /nfs/dbraw/zinc/28/34/85/619283485.db2.gz GBVMSZMGCNPSMM-LMCOJAPRSA-N 2 1 316.489 3.159 20 0 DGADMP COCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519994 619284146 /nfs/dbraw/zinc/28/41/46/619284146.db2.gz RSAPVKHWNFHNDX-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP [NH3+]Cc1ccc(-c2noc([C@@H]([NH3+])C3CCCCCC3)n2)cc1 ZINC000900011254 619389694 /nfs/dbraw/zinc/38/96/94/619389694.db2.gz AEPAFGWNJZDLHJ-HNNXBMFYSA-N 2 1 300.406 3.166 20 0 DGADMP [NH3+]Cc1ccc(-c2noc([C@H]([NH3+])C3CCCCCC3)n2)cc1 ZINC000900011255 619389741 /nfs/dbraw/zinc/38/97/41/619389741.db2.gz AEPAFGWNJZDLHJ-OAHLLOKOSA-N 2 1 300.406 3.166 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900953632 619461056 /nfs/dbraw/zinc/46/10/56/619461056.db2.gz BWVSNCFZPZMZJJ-AEFFLSMTSA-N 2 1 315.461 3.012 20 0 DGADMP CCn1cnc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000902123592 619593012 /nfs/dbraw/zinc/59/30/12/619593012.db2.gz YNRLILWZIZGYQV-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCn1cnc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000902123592 619593013 /nfs/dbraw/zinc/59/30/13/619593013.db2.gz YNRLILWZIZGYQV-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347930 619619838 /nfs/dbraw/zinc/61/98/38/619619838.db2.gz QPFFVZIGGOLVMD-IBGZPJMESA-N 3 1 317.521 3.395 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347930 619619839 /nfs/dbraw/zinc/61/98/39/619619839.db2.gz QPFFVZIGGOLVMD-IBGZPJMESA-N 2 1 317.521 3.395 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347930 619619841 /nfs/dbraw/zinc/61/98/41/619619841.db2.gz QPFFVZIGGOLVMD-IBGZPJMESA-N 2 1 317.521 3.395 20 0 DGADMP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CCO2 ZINC000902374405 619625026 /nfs/dbraw/zinc/62/50/26/619625026.db2.gz LPMWWGGSTLSAGY-YOEHRIQHSA-N 2 1 318.461 3.277 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000902407599 619628136 /nfs/dbraw/zinc/62/81/36/619628136.db2.gz RPVPBGJEWCXXGC-CYBMUJFWSA-N 2 1 300.324 3.117 20 0 DGADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1F ZINC000902479045 619639154 /nfs/dbraw/zinc/63/91/54/619639154.db2.gz ZTRBQPCPMCUWOM-UDCKQINGSA-N 2 1 318.436 3.343 20 0 DGADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902747742 619669410 /nfs/dbraw/zinc/66/94/10/619669410.db2.gz IAKGNUAQFHVIAK-FCGDIQPGSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902747742 619669411 /nfs/dbraw/zinc/66/94/11/619669411.db2.gz IAKGNUAQFHVIAK-FCGDIQPGSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902754538 619670770 /nfs/dbraw/zinc/67/07/70/619670770.db2.gz FHEJWOWVNYYFTF-ROUUACIJSA-N 2 1 305.466 3.157 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902788991 619676516 /nfs/dbraw/zinc/67/65/16/619676516.db2.gz BSKSQSYNMJAEEV-AYOQOUSVSA-N 2 1 319.493 3.403 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000902819924 619678859 /nfs/dbraw/zinc/67/88/59/619678859.db2.gz XVBPZODNJNEGOI-MVWRLGRASA-N 2 1 302.462 3.391 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000902819924 619678861 /nfs/dbraw/zinc/67/88/61/619678861.db2.gz XVBPZODNJNEGOI-MVWRLGRASA-N 2 1 302.462 3.391 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902818416 619678874 /nfs/dbraw/zinc/67/88/74/619678874.db2.gz NIHMJNPETYJUJZ-SFHVURJKSA-N 2 1 307.482 3.403 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccs1 ZINC000903059490 619707676 /nfs/dbraw/zinc/70/76/76/619707676.db2.gz YOHOIQSKHMGLFX-YQAQFAQXSA-N 2 1 319.518 3.098 20 0 DGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccs1 ZINC000903059490 619707678 /nfs/dbraw/zinc/70/76/78/619707678.db2.gz YOHOIQSKHMGLFX-YQAQFAQXSA-N 2 1 319.518 3.098 20 0 DGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccs1 ZINC000903059490 619707679 /nfs/dbraw/zinc/70/76/79/619707679.db2.gz YOHOIQSKHMGLFX-YQAQFAQXSA-N 2 1 319.518 3.098 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903075725 619711931 /nfs/dbraw/zinc/71/19/31/619711931.db2.gz CHKFWUVXCUNIAB-BTBDMLMUSA-N 2 1 319.537 3.100 20 0 DGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903075725 619711932 /nfs/dbraw/zinc/71/19/32/619711932.db2.gz CHKFWUVXCUNIAB-BTBDMLMUSA-N 2 1 319.537 3.100 20 0 DGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075725 619711935 /nfs/dbraw/zinc/71/19/35/619711935.db2.gz CHKFWUVXCUNIAB-BTBDMLMUSA-N 2 1 319.537 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903081767 619712674 /nfs/dbraw/zinc/71/26/74/619712674.db2.gz NXGDPJFIORSIEU-JLYLLQBASA-N 2 1 314.473 3.430 20 0 DGADMP C[C@@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084474 619713517 /nfs/dbraw/zinc/71/35/17/619713517.db2.gz YQWZKJMGQASOBD-UNPWZGGWSA-N 2 1 300.446 3.201 20 0 DGADMP c1ccc(NCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000903090247 619714491 /nfs/dbraw/zinc/71/44/91/619714491.db2.gz XSKZEQPCOPEKMD-ZNXRZULTSA-N 2 1 314.477 3.021 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903070032 619715068 /nfs/dbraw/zinc/71/50/68/619715068.db2.gz OCMOIMVFPJIPGL-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](C3CCCC3)CC1)C2 ZINC000903107603 619718024 /nfs/dbraw/zinc/71/80/24/619718024.db2.gz ZABRELFIIQQBPP-XGSMCBPESA-N 2 1 317.521 3.141 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903132008 619722031 /nfs/dbraw/zinc/72/20/31/619722031.db2.gz VRDRQZPTAJDMGO-LHCMDFTLSA-N 2 1 306.494 3.328 20 0 DGADMP CCC1(CC)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1OC ZINC000903125659 619722091 /nfs/dbraw/zinc/72/20/91/619722091.db2.gz NEQOCRLWHQSPBP-LLPGRJKPSA-N 2 1 306.494 3.328 20 0 DGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]1OC ZINC000903125660 619722292 /nfs/dbraw/zinc/72/22/92/619722292.db2.gz NEQOCRLWHQSPBP-MOUFXGFKSA-N 2 1 306.494 3.328 20 0 DGADMP FC(F)(F)CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903130710 619723028 /nfs/dbraw/zinc/72/30/28/619723028.db2.gz NXZCJQKOTQKKHN-VGPLMAKISA-N 2 1 308.413 3.029 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903132821 619723425 /nfs/dbraw/zinc/72/34/25/619723425.db2.gz YQGYLFBEZOWWBS-IBGZPJMESA-N 2 1 318.436 3.145 20 0 DGADMP CC(C)(O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903154025 619726038 /nfs/dbraw/zinc/72/60/38/619726038.db2.gz VNIXPGUTXZHKRU-JLYLLQBASA-N 2 1 314.473 3.161 20 0 DGADMP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903157691 619726853 /nfs/dbraw/zinc/72/68/53/619726853.db2.gz MOYXBOVGRDOWJF-VHRNVKJDSA-N 2 1 306.400 3.255 20 0 DGADMP C[C@H](C[NH2+][C@@H](c1ccccc1F)C1CCOCC1)C[NH+](C)C ZINC000903174102 619729850 /nfs/dbraw/zinc/72/98/50/619729850.db2.gz DERHIPVTXWNNKZ-RDTXWAMCSA-N 2 1 308.441 3.081 20 0 DGADMP CO[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903178946 619730918 /nfs/dbraw/zinc/73/09/18/619730918.db2.gz KJJXGJCLHKRQGT-QZNYNHHHSA-N 2 1 314.473 3.296 20 0 DGADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903179633 619731526 /nfs/dbraw/zinc/73/15/26/619731526.db2.gz RWMHZRNNGZEFKB-PQCNYSFFSA-N 2 1 306.494 3.185 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC2(CCC2)CO1 ZINC000903219858 619741121 /nfs/dbraw/zinc/74/11/21/619741121.db2.gz KDLMBAYUIDQIRQ-NXCDMZCRSA-N 2 1 304.478 3.083 20 0 DGADMP C(C[C@H]1CCC2(CCC2)O1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903228051 619743869 /nfs/dbraw/zinc/74/38/69/619743869.db2.gz SHYYLLDRTUGTIF-NXCDMZCRSA-N 2 1 304.478 3.226 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265415 619748243 /nfs/dbraw/zinc/74/82/43/619748243.db2.gz ZFYPBLBUKLGNNL-NMLACTOBSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265415 619748245 /nfs/dbraw/zinc/74/82/45/619748245.db2.gz ZFYPBLBUKLGNNL-NMLACTOBSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000903301480 619753739 /nfs/dbraw/zinc/75/37/39/619753739.db2.gz RBLGOSOFSADRRT-WBVHZDCISA-N 2 1 309.542 3.348 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCN1C ZINC000903301480 619753740 /nfs/dbraw/zinc/75/37/40/619753740.db2.gz RBLGOSOFSADRRT-WBVHZDCISA-N 2 1 309.542 3.348 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000903329730 619762123 /nfs/dbraw/zinc/76/21/23/619762123.db2.gz FUHMODUULDFHQM-OAHLLOKOSA-N 2 1 322.468 3.236 20 0 DGADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903380702 619768831 /nfs/dbraw/zinc/76/88/31/619768831.db2.gz OIDDEXBUDXKRFL-JSGCOSHPSA-N 2 1 303.372 3.395 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccnc1 ZINC000903383356 619769397 /nfs/dbraw/zinc/76/93/97/619769397.db2.gz LYWSHANKSFXRDM-WOJBJXKFSA-N 2 1 309.457 3.222 20 0 DGADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000903416837 619773097 /nfs/dbraw/zinc/77/30/97/619773097.db2.gz WIKVVMSLVFZSKC-UWJYYQICSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000903416837 619773099 /nfs/dbraw/zinc/77/30/99/619773099.db2.gz WIKVVMSLVFZSKC-UWJYYQICSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]2CCCO2)cc1 ZINC000903439522 619775428 /nfs/dbraw/zinc/77/54/28/619775428.db2.gz JKNXARXIJKYAAE-HSALFYBXSA-N 2 1 316.489 3.146 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463838 619777232 /nfs/dbraw/zinc/77/72/32/619777232.db2.gz PDHPFBXUWMOJSA-XOKHGSTOSA-N 2 1 306.425 3.105 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903464316 619777242 /nfs/dbraw/zinc/77/72/42/619777242.db2.gz IHSIUPLGCIADDS-YPMHNXCESA-N 2 1 309.251 3.201 20 0 DGADMP C[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1CC[NH3+] ZINC000903461470 619777372 /nfs/dbraw/zinc/77/73/72/619777372.db2.gz UVUTYYIGKOSYOH-PQEBFOHHSA-N 2 1 308.416 3.485 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000903452211 619779289 /nfs/dbraw/zinc/77/92/89/619779289.db2.gz IZROBYGXXUGOKF-YESZJQIVSA-N 2 1 306.400 3.111 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903453623 619779299 /nfs/dbraw/zinc/77/92/99/619779299.db2.gz FHJDLXYJRAUIBS-BDXSIMOUSA-N 2 1 320.427 3.357 20 0 DGADMP COC[C@@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCc2ccccc21 ZINC000903474748 619780114 /nfs/dbraw/zinc/78/01/14/619780114.db2.gz SDZFZRUSNPEPKI-RRIFGTCXSA-N 2 1 302.462 3.138 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482649 619781046 /nfs/dbraw/zinc/78/10/46/619781046.db2.gz OCRPVDLIKBDEQN-VYDXJSESSA-N 2 1 320.502 3.303 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCc2ccns2)C1)C1CCCC1 ZINC000903482813 619781187 /nfs/dbraw/zinc/78/11/87/619781187.db2.gz UKMYLALCNIRTPP-WMLDXEAASA-N 2 1 307.507 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@H]1CC[NH3+] ZINC000903497284 619782280 /nfs/dbraw/zinc/78/22/80/619782280.db2.gz TXWGHWIXAVJSLJ-TZMCWYRMSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496832 619782408 /nfs/dbraw/zinc/78/24/08/619782408.db2.gz GOHYQBUGVPTQTM-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c(C)c1 ZINC000903722865 619804316 /nfs/dbraw/zinc/80/43/16/619804316.db2.gz DXKLBHHZSAQZHC-MSOLQXFVSA-N 2 1 316.489 3.455 20 0 DGADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725156 619804958 /nfs/dbraw/zinc/80/49/58/619804958.db2.gz XJSKYPZJPZZIHF-QGZVFWFLSA-N 2 1 322.880 3.321 20 0 DGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725432 619804995 /nfs/dbraw/zinc/80/49/95/619804995.db2.gz ZOGIPEUMCMMTEP-LJQANCHMSA-N 2 1 324.468 3.430 20 0 DGADMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724882 619805088 /nfs/dbraw/zinc/80/50/88/619805088.db2.gz RTWQZSOMDWBIQZ-HNNXBMFYSA-N 2 1 308.491 3.117 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729670 619805688 /nfs/dbraw/zinc/80/56/88/619805688.db2.gz QIWHKDLRPJGCIV-PKOBYXMFSA-N 2 1 314.473 3.155 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000903766700 619810235 /nfs/dbraw/zinc/81/02/35/619810235.db2.gz QXZSPKSRFUHUSV-QZTJIDSGSA-N 2 1 306.494 3.047 20 0 DGADMP CCCCc1noc([C@@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903790603 619811126 /nfs/dbraw/zinc/81/11/26/619811126.db2.gz QWVRGDOSDMTYOY-CYBMUJFWSA-N 2 1 308.470 3.170 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1F ZINC000903776587 619812092 /nfs/dbraw/zinc/81/20/92/619812092.db2.gz VLBXBFXPBVVIBG-GDBMZVCRSA-N 2 1 306.425 3.013 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cnn(-c3ccccc3)c2)CCC1 ZINC000903814138 619814019 /nfs/dbraw/zinc/81/40/19/619814019.db2.gz KNDFFOYENFIXDS-IBGZPJMESA-N 2 1 324.472 3.356 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903816233 619814669 /nfs/dbraw/zinc/81/46/69/619814669.db2.gz VLDPESAIVDMCBI-UHFFFAOYSA-N 2 1 316.489 3.329 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc2ccccc21)C1(C[NH3+])CCOCC1 ZINC000903810170 619818016 /nfs/dbraw/zinc/81/80/16/619818016.db2.gz ZZCYVRYIMMYION-UHFFFAOYSA-N 2 1 318.848 3.433 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc2ccccc21)C1(C[NH3+])CCOCC1 ZINC000903810170 619818017 /nfs/dbraw/zinc/81/80/17/619818017.db2.gz ZZCYVRYIMMYION-UHFFFAOYSA-N 2 1 318.848 3.433 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819694 619818931 /nfs/dbraw/zinc/81/89/31/619818931.db2.gz MFQHEVDONIYTDA-UHFFFAOYSA-N 2 1 302.462 3.155 20 0 DGADMP Fc1ccc(CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000903893038 619829234 /nfs/dbraw/zinc/82/92/34/619829234.db2.gz OWTTVNUEVXPRCT-ZNXRZULTSA-N 2 1 302.437 3.363 20 0 DGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccsc2)O1 ZINC000903898800 619830680 /nfs/dbraw/zinc/83/06/80/619830680.db2.gz QBRMIQLSLDRXFH-IBWRZXHSSA-N 2 1 306.475 3.041 20 0 DGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CCC(C)C)cnn1C ZINC000903900008 619830696 /nfs/dbraw/zinc/83/06/96/619830696.db2.gz XWWDZBCWFFBXIR-IEBWSBKVSA-N 2 1 320.525 3.137 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903898785 619830780 /nfs/dbraw/zinc/83/07/80/619830780.db2.gz PXFFYAJGWGRCRY-BPIHKTFHSA-N 2 1 316.489 3.336 20 0 DGADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903902505 619831664 /nfs/dbraw/zinc/83/16/64/619831664.db2.gz IBURTFQQMKNXHX-IUODEOHRSA-N 2 1 312.379 3.495 20 0 DGADMP COc1cccc(Cl)c1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903925578 619834797 /nfs/dbraw/zinc/83/47/97/619834797.db2.gz GZYORWDBSPDOEP-UHFFFAOYSA-N 2 1 316.832 3.284 20 0 DGADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903932596 619836336 /nfs/dbraw/zinc/83/63/36/619836336.db2.gz SLPZNXSUSLHCMO-DPGVMXDBSA-N 2 1 302.437 3.320 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000903959609 619839740 /nfs/dbraw/zinc/83/97/40/619839740.db2.gz KUACXNWENUTGBT-QGZVFWFLSA-N 2 1 316.474 3.104 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000903959609 619839742 /nfs/dbraw/zinc/83/97/42/619839742.db2.gz KUACXNWENUTGBT-QGZVFWFLSA-N 2 1 316.474 3.104 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903940690 619841161 /nfs/dbraw/zinc/84/11/61/619841161.db2.gz ABASCXKMLZRBBO-UHFFFAOYSA-N 2 1 306.841 3.051 20 0 DGADMP CCOc1ccc(C[NH+]2CCC([NH3+])(CC)CC2)cc1OCC ZINC000903947004 619843618 /nfs/dbraw/zinc/84/36/18/619843618.db2.gz ICQIGTGWANOBJR-UHFFFAOYSA-N 2 1 306.450 3.187 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000903946842 619843655 /nfs/dbraw/zinc/84/36/55/619843655.db2.gz DBCLGHLKYHGJOG-UHFFFAOYSA-N 2 1 306.450 3.186 20 0 DGADMP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973146 619847694 /nfs/dbraw/zinc/84/76/94/619847694.db2.gz OYTSECTVCPYDEX-PKOBYXMFSA-N 2 1 316.489 3.004 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973104 619847708 /nfs/dbraw/zinc/84/77/08/619847708.db2.gz OKLBXDIZAQIQPC-MOPGFXCFSA-N 2 1 316.489 3.175 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CC[NH2+]1 ZINC000903987762 619852478 /nfs/dbraw/zinc/85/24/78/619852478.db2.gz IPGGIPGELKAPEW-ILXRZTDVSA-N 2 1 319.518 3.199 20 0 DGADMP COc1cc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1SC ZINC000904314080 619912212 /nfs/dbraw/zinc/91/22/12/619912212.db2.gz RNTPQJRJLBJEMG-KRWDZBQOSA-N 2 1 308.491 3.239 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1SC ZINC000904314080 619912214 /nfs/dbraw/zinc/91/22/14/619912214.db2.gz RNTPQJRJLBJEMG-KRWDZBQOSA-N 2 1 308.491 3.239 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000904327973 619913928 /nfs/dbraw/zinc/91/39/28/619913928.db2.gz KOAYZSYHVAOGGG-QKPAOTATSA-N 2 1 308.491 3.154 20 0 DGADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C3)cs1 ZINC000904330065 619914244 /nfs/dbraw/zinc/91/42/44/619914244.db2.gz XVUHNMAKQNFVNP-BJHJDKERSA-N 2 1 319.499 3.275 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000904351569 619915451 /nfs/dbraw/zinc/91/54/51/619915451.db2.gz YNLDQAQBBBJLHV-GLQYFDAESA-N 2 1 316.342 3.313 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](CNc3ccc(Cl)cc3)C2)C1 ZINC000904389027 619917638 /nfs/dbraw/zinc/91/76/38/619917638.db2.gz RIFSULRVPFEWIN-FMKPAKJESA-N 2 1 307.869 3.201 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CCC[NH2+]C1 ZINC000904376661 619918346 /nfs/dbraw/zinc/91/83/46/619918346.db2.gz WOSOGMZYFDPFDH-MUGJNUQGSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)[nH]n1 ZINC000904385435 619918802 /nfs/dbraw/zinc/91/88/02/619918802.db2.gz VUHVLUVVXJHZGN-YJBOKZPZSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385435 619918804 /nfs/dbraw/zinc/91/88/04/619918804.db2.gz VUHVLUVVXJHZGN-YJBOKZPZSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385435 619918805 /nfs/dbraw/zinc/91/88/05/619918805.db2.gz VUHVLUVVXJHZGN-YJBOKZPZSA-N 2 1 304.482 3.102 20 0 DGADMP CCOc1ccc(CC[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000904476906 619924647 /nfs/dbraw/zinc/92/46/47/619924647.db2.gz SUBYQOYXWLNBAY-AYHJJNSGSA-N 2 1 302.462 3.090 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@@H]2CCC[C@H]21 ZINC000906524569 620102876 /nfs/dbraw/zinc/10/28/76/620102876.db2.gz FNVBLMPYBLKIOM-OKZBNKHCSA-N 2 1 311.429 3.304 20 0 DGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)C1 ZINC000907147235 620141188 /nfs/dbraw/zinc/14/11/88/620141188.db2.gz SLDIUEWZFCLCOR-KRWDZBQOSA-N 2 1 317.477 3.117 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000841100306 620450100 /nfs/dbraw/zinc/45/01/00/620450100.db2.gz CDIGTAOJQBEFKN-YPMHNXCESA-N 2 1 300.418 3.418 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)C3CC3)cc2)C1 ZINC000840744256 620455921 /nfs/dbraw/zinc/45/59/21/620455921.db2.gz DJGJPLNSQMRIMP-YRNRMSPPSA-N 2 1 316.489 3.025 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000032070994 620540838 /nfs/dbraw/zinc/54/08/38/620540838.db2.gz YJRINQDUUILQJL-UHFFFAOYSA-N 2 1 314.404 3.328 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000915223804 620574622 /nfs/dbraw/zinc/57/46/22/620574622.db2.gz KNUMHKFLGSMBPE-UHFFFAOYSA-N 2 1 318.490 3.190 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000153697430 620594578 /nfs/dbraw/zinc/59/45/78/620594578.db2.gz YQEIBURXGSPCAM-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921537568 620904065 /nfs/dbraw/zinc/90/40/65/620904065.db2.gz YDPOWKXHOVBMEX-INIZCTEOSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000921580640 620911445 /nfs/dbraw/zinc/91/14/45/620911445.db2.gz DSOYXUWWKMKVFE-ZJPYXAASSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000921580640 620911446 /nfs/dbraw/zinc/91/14/46/620911446.db2.gz DSOYXUWWKMKVFE-ZJPYXAASSA-N 2 1 308.510 3.292 20 0 DGADMP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000921811143 620953205 /nfs/dbraw/zinc/95/32/05/620953205.db2.gz ZDYHZTRMFWYPLS-SJORKVTESA-N 2 1 314.539 3.140 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(C)CC3)C2)ccn1 ZINC000856558588 621004693 /nfs/dbraw/zinc/00/46/93/621004693.db2.gz KJYBDBPENIGDGA-GOSISDBHSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3(C)CC3)C2)ccn1 ZINC000856558588 621004697 /nfs/dbraw/zinc/00/46/97/621004697.db2.gz KJYBDBPENIGDGA-GOSISDBHSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3(C)CC3)C2)ccn1 ZINC000856558588 621004699 /nfs/dbraw/zinc/00/46/99/621004699.db2.gz KJYBDBPENIGDGA-GOSISDBHSA-N 2 1 317.477 3.175 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3CCC3)C2)ccn1 ZINC000856583943 621005793 /nfs/dbraw/zinc/00/57/93/621005793.db2.gz UXGPGHPZAVCJBP-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3CCC3)C2)ccn1 ZINC000856583943 621005796 /nfs/dbraw/zinc/00/57/96/621005796.db2.gz UXGPGHPZAVCJBP-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC3CCC3)C2)ccn1 ZINC000856583943 621005799 /nfs/dbraw/zinc/00/57/99/621005799.db2.gz UXGPGHPZAVCJBP-IBGZPJMESA-N 2 1 317.477 3.177 20 0 DGADMP CCCc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000856771100 621018269 /nfs/dbraw/zinc/01/82/69/621018269.db2.gz ZFIAVVXLGZUXKQ-INIZCTEOSA-N 2 1 322.518 3.434 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccsc3C)C2)[C@@H]1C(C)C ZINC000922392628 621033020 /nfs/dbraw/zinc/03/30/20/621033020.db2.gz FAVGIOOSEQOHNH-BDXSIMOUSA-N 2 1 322.518 3.016 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3sccc3C)C2)[C@H]1C(C)C ZINC000922393709 621033190 /nfs/dbraw/zinc/03/31/90/621033190.db2.gz SSPFCFSKCATATA-AHCXZYCDSA-N 2 1 322.518 3.016 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCSC3(CCC3)C2)s1 ZINC000922840089 621106705 /nfs/dbraw/zinc/10/67/05/621106705.db2.gz KAQBXZYUZLUYEQ-LBPRGKRZSA-N 2 1 311.520 3.113 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000857850456 621122574 /nfs/dbraw/zinc/12/25/74/621122574.db2.gz XYLSABRAMXNDEJ-SFHVURJKSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000857850456 621122576 /nfs/dbraw/zinc/12/25/76/621122576.db2.gz XYLSABRAMXNDEJ-SFHVURJKSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857850456 621122577 /nfs/dbraw/zinc/12/25/77/621122577.db2.gz XYLSABRAMXNDEJ-SFHVURJKSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857850456 621122579 /nfs/dbraw/zinc/12/25/79/621122579.db2.gz XYLSABRAMXNDEJ-SFHVURJKSA-N 2 1 312.461 3.417 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1(C)C ZINC000858133357 621156231 /nfs/dbraw/zinc/15/62/31/621156231.db2.gz SWUFMWGUWMBNMO-OALUTQOASA-N 2 1 312.457 3.336 20 0 DGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307673 621173754 /nfs/dbraw/zinc/17/37/54/621173754.db2.gz YXJOOUOYBGRIJM-IBGZPJMESA-N 2 1 322.452 3.164 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000923313147 621174300 /nfs/dbraw/zinc/17/43/00/621174300.db2.gz VUUNHVLCDWWPCQ-ZNXRZULTSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC[NH2+]C4CC4)C3)nc2c1 ZINC000923369794 621179389 /nfs/dbraw/zinc/17/93/89/621179389.db2.gz OQMRMWWYZODHBZ-OAHLLOKOSA-N 2 1 312.461 3.193 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CCC[NH2+]C4CC4)C3)[nH]c2c1 ZINC000923369794 621179392 /nfs/dbraw/zinc/17/93/92/621179392.db2.gz OQMRMWWYZODHBZ-OAHLLOKOSA-N 2 1 312.461 3.193 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC[NH2+]C4CC4)C3)[nH]c2c1 ZINC000923369794 621179396 /nfs/dbraw/zinc/17/93/96/621179396.db2.gz OQMRMWWYZODHBZ-OAHLLOKOSA-N 2 1 312.461 3.193 20 0 DGADMP COc1nc(C)cc(C)c1C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923398600 621181291 /nfs/dbraw/zinc/18/12/91/621181291.db2.gz LUWTWQGRHFPSBO-ALOPSCKCSA-N 2 1 317.477 3.060 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000923423947 621182488 /nfs/dbraw/zinc/18/24/88/621182488.db2.gz CWOGEIYKWRNJPQ-OAHLLOKOSA-N 2 1 319.276 3.478 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)sn1 ZINC000923424037 621182589 /nfs/dbraw/zinc/18/25/89/621182589.db2.gz FKVXJPPEPWVCFV-CZUORRHYSA-N 2 1 323.506 3.271 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cc1ccc2ccccc2c1 ZINC000923428819 621183414 /nfs/dbraw/zinc/18/34/14/621183414.db2.gz KNASLWCECVUCDV-WOJBJXKFSA-N 2 1 324.468 3.008 20 0 DGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485133 621187745 /nfs/dbraw/zinc/18/77/45/621187745.db2.gz GDOXXTAZHWEFNQ-VXGBXAGGSA-N 2 1 320.824 3.122 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1C[NH3+] ZINC000923502162 621188038 /nfs/dbraw/zinc/18/80/38/621188038.db2.gz XTPQIBDFCLSBKR-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923493923 621188098 /nfs/dbraw/zinc/18/80/98/621188098.db2.gz JIRQWZBAHUMXEA-DGCLKSJQSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Nc3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923496653 621188152 /nfs/dbraw/zinc/18/81/52/621188152.db2.gz IJZBNAZDUZZINM-KGLIPLIRSA-N 2 1 316.474 3.303 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000923488080 621188234 /nfs/dbraw/zinc/18/82/34/621188234.db2.gz PPDIVFDIMJXEMB-SFHVURJKSA-N 2 1 324.468 3.463 20 0 DGADMP CCCCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923502790 621188484 /nfs/dbraw/zinc/18/84/84/621188484.db2.gz ATCIDIFDMJLOLE-HNNXBMFYSA-N 2 1 320.481 3.014 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923496969 621188899 /nfs/dbraw/zinc/18/88/99/621188899.db2.gz KRHIGRGRGRYYJG-GXTWGEPZSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501107 621189132 /nfs/dbraw/zinc/18/91/32/621189132.db2.gz YYXXYAFDQKBXMU-JSGCOSHPSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1C[NH3+] ZINC000923499802 621189346 /nfs/dbraw/zinc/18/93/46/621189346.db2.gz UFYKZEVUZJOCBR-HIFRSBDPSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@H]1C[NH3+] ZINC000923501850 621189442 /nfs/dbraw/zinc/18/94/42/621189442.db2.gz WECCDQIUWSXYTF-MNOVXSKESA-N 2 1 315.230 3.005 20 0 DGADMP Fc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccn1 ZINC000859074299 621245813 /nfs/dbraw/zinc/24/58/13/621245813.db2.gz CUCANVXNICABLQ-UHFFFAOYSA-N 2 1 305.441 3.309 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cncc(Cl)c2)cc1 ZINC000859212044 621260548 /nfs/dbraw/zinc/26/05/48/621260548.db2.gz CFZYSDVYCUVFIF-UHFFFAOYSA-N 2 1 303.837 3.429 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1O ZINC000839074460 621322601 /nfs/dbraw/zinc/32/26/01/621322601.db2.gz VWWRHBJCLYHSIK-UHFFFAOYSA-N 2 1 318.461 3.099 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(F)c1 ZINC000859997667 621353393 /nfs/dbraw/zinc/35/33/93/621353393.db2.gz OZIULIDLPRGSPY-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP C(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CCC[NH+]1CCCC1 ZINC000754795700 621533152 /nfs/dbraw/zinc/53/31/52/621533152.db2.gz ONGMYWAEDAVFEB-RBUKOAKNSA-N 3 1 307.526 3.249 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(F)c2C)CC1 ZINC000862221321 621563363 /nfs/dbraw/zinc/56/33/63/621563363.db2.gz YLJFWJFWQFLBRR-UHFFFAOYSA-N 2 1 307.457 3.473 20 0 DGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000756574532 621650226 /nfs/dbraw/zinc/65/02/26/621650226.db2.gz MXECRGRLDFRJIY-RTBURBONSA-N 2 1 317.477 3.156 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@H]1C(F)(F)F ZINC000863646358 621693160 /nfs/dbraw/zinc/69/31/60/621693160.db2.gz RWIUMXMFENDTGL-XJKSGUPXSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cncc3ccccc32)CC[C@H]1C(F)(F)F ZINC000863646358 621693161 /nfs/dbraw/zinc/69/31/61/621693161.db2.gz RWIUMXMFENDTGL-XJKSGUPXSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@H]1C(F)(F)F ZINC000863646356 621693310 /nfs/dbraw/zinc/69/33/10/621693310.db2.gz RWIUMXMFENDTGL-CZUORRHYSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)CC[C@H]1C(F)(F)F ZINC000863646356 621693311 /nfs/dbraw/zinc/69/33/11/621693311.db2.gz RWIUMXMFENDTGL-CZUORRHYSA-N 2 1 323.362 3.194 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865404267 621911050 /nfs/dbraw/zinc/91/10/50/621911050.db2.gz HHQSGXJEMZVPSD-UHFFFAOYSA-N 2 1 301.409 3.336 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC000865600717 621959594 /nfs/dbraw/zinc/95/95/94/621959594.db2.gz RUDOWBQWRQEYIJ-LLVKDONJSA-N 2 1 302.249 3.210 20 0 DGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865782527 621994500 /nfs/dbraw/zinc/99/45/00/621994500.db2.gz XINFLKBCABMDEX-ZQDZILKHSA-N 2 1 302.384 3.348 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000865874097 622013082 /nfs/dbraw/zinc/01/30/82/622013082.db2.gz QUOHKLYFCJNINQ-RNIPGJKVSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000865874097 622013083 /nfs/dbraw/zinc/01/30/83/622013083.db2.gz QUOHKLYFCJNINQ-RNIPGJKVSA-N 2 1 304.478 3.179 20 0 DGADMP C[NH+](C)C1(C)CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000866148729 622055500 /nfs/dbraw/zinc/05/55/00/622055500.db2.gz QQOVKYOFHUPVTL-UHFFFAOYSA-N 2 1 317.481 3.142 20 0 DGADMP COc1cccc2c(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204854 622066376 /nfs/dbraw/zinc/06/63/76/622066376.db2.gz GZSMHTSQAZWSIX-HOCLYGCPSA-N 2 1 311.429 3.082 20 0 DGADMP COc1cccc2c(N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204854 622066378 /nfs/dbraw/zinc/06/63/78/622066378.db2.gz GZSMHTSQAZWSIX-HOCLYGCPSA-N 2 1 311.429 3.082 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866238355 622073625 /nfs/dbraw/zinc/07/36/25/622073625.db2.gz POOGWIVJVZDPLI-IRXDYDNUSA-N 2 1 311.473 3.487 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866245280 622075156 /nfs/dbraw/zinc/07/51/56/622075156.db2.gz ZFBWIAZABQYGGO-FQEVSTJZSA-N 2 1 324.468 3.264 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263549 622078995 /nfs/dbraw/zinc/07/89/95/622078995.db2.gz QGKISIFCIUOFLY-NEPJUHHUSA-N 2 1 307.825 3.474 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263549 622078998 /nfs/dbraw/zinc/07/89/98/622078998.db2.gz QGKISIFCIUOFLY-NEPJUHHUSA-N 2 1 307.825 3.474 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866272605 622081972 /nfs/dbraw/zinc/08/19/72/622081972.db2.gz RJTSKYSVZZIGJP-DOTOQJQBSA-N 2 1 303.381 3.033 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762646702 622088908 /nfs/dbraw/zinc/08/89/08/622088908.db2.gz AZHUVYIFAXVAKR-VQIMIIECSA-N 2 1 302.462 3.073 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866308658 622090196 /nfs/dbraw/zinc/09/01/96/622090196.db2.gz ZJBBBZGOXHLKRJ-PKOBYXMFSA-N 2 1 303.494 3.360 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000866446150 622120100 /nfs/dbraw/zinc/12/01/00/622120100.db2.gz UBIARIDEWYTSMO-QRIIJPHXSA-N 2 1 323.440 3.255 20 0 DGADMP Cc1cc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c2cc1F ZINC000866492919 622126694 /nfs/dbraw/zinc/12/66/94/622126694.db2.gz UVXYEVANSAGBBJ-ZFWWWQNUSA-N 2 1 303.425 3.230 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866561171 622138451 /nfs/dbraw/zinc/13/84/51/622138451.db2.gz AZUCBEUKOPMBGF-LEOMRAHMSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866561171 622138452 /nfs/dbraw/zinc/13/84/52/622138452.db2.gz AZUCBEUKOPMBGF-LEOMRAHMSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866588959 622143174 /nfs/dbraw/zinc/14/31/74/622143174.db2.gz CGOFODDPVMSVDO-HNNXBMFYSA-N 2 1 321.896 3.113 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614300 622147735 /nfs/dbraw/zinc/14/77/35/622147735.db2.gz MJJNMVYPVNYRDG-OQIJWPOYSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614300 622147736 /nfs/dbraw/zinc/14/77/36/622147736.db2.gz MJJNMVYPVNYRDG-OQIJWPOYSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614299 622147757 /nfs/dbraw/zinc/14/77/57/622147757.db2.gz MJJNMVYPVNYRDG-KANFNMMFSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000866614299 622147759 /nfs/dbraw/zinc/14/77/59/622147759.db2.gz MJJNMVYPVNYRDG-KANFNMMFSA-N 2 1 324.472 3.266 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000866707590 622158608 /nfs/dbraw/zinc/15/86/08/622158608.db2.gz VAZCRQGCMSGWER-KRWDZBQOSA-N 2 1 320.868 3.185 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000866707590 622158610 /nfs/dbraw/zinc/15/86/10/622158610.db2.gz VAZCRQGCMSGWER-KRWDZBQOSA-N 2 1 320.868 3.185 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000866717339 622159548 /nfs/dbraw/zinc/15/95/48/622159548.db2.gz BZJCTCIRBZMDDR-SJORKVTESA-N 2 1 302.462 3.264 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000765290396 622257468 /nfs/dbraw/zinc/25/74/68/622257468.db2.gz JLIDVGXUGJMEGZ-SJLPKXTDSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000765546582 622272607 /nfs/dbraw/zinc/27/26/07/622272607.db2.gz RJUQLADQIBOVSF-KSSFIOAISA-N 2 1 311.429 3.164 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000765757368 622285273 /nfs/dbraw/zinc/28/52/73/622285273.db2.gz DDVMEHBKKKNODF-JKSUJKDBSA-N 2 1 323.444 3.364 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000765802256 622288426 /nfs/dbraw/zinc/28/84/26/622288426.db2.gz JXEKYPNYYMFDDK-LJQANCHMSA-N 2 1 314.473 3.217 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000765979251 622297810 /nfs/dbraw/zinc/29/78/10/622297810.db2.gz WWTQTQRUVKJKGL-RDTXWAMCSA-N 2 1 306.425 3.120 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000766139921 622308548 /nfs/dbraw/zinc/30/85/48/622308548.db2.gz JQBLXZXVUFSMIC-FHLIZLRMSA-N 2 1 320.477 3.254 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000767354995 622392560 /nfs/dbraw/zinc/39/25/60/622392560.db2.gz OKVCYRSKECZZNZ-OALUTQOASA-N 2 1 318.424 3.469 20 0 DGADMP Cc1ccc(F)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784968 622697262 /nfs/dbraw/zinc/69/72/62/622697262.db2.gz MRVCDJRGBKVAGX-SFESLNEESA-N 2 1 305.397 3.005 20 0 DGADMP Cc1ccc(F)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784968 622697267 /nfs/dbraw/zinc/69/72/67/622697267.db2.gz MRVCDJRGBKVAGX-SFESLNEESA-N 2 1 305.397 3.005 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871798004 622702319 /nfs/dbraw/zinc/70/23/19/622702319.db2.gz ABNBPOLEQRZLOV-NQKGRLOXSA-N 2 1 316.449 3.147 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1F ZINC000872046352 622772694 /nfs/dbraw/zinc/77/26/94/622772694.db2.gz WVDOPVUHULSOPL-ZNMIVQPWSA-N 2 1 324.440 3.071 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872067387 622787810 /nfs/dbraw/zinc/78/78/10/622787810.db2.gz QISPEMUUUHTEIY-AQNXPRMDSA-N 2 1 316.489 3.303 20 0 DGADMP C1CCC2(C1)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000872085604 622796529 /nfs/dbraw/zinc/79/65/29/622796529.db2.gz NYGLQVLCOFTFEQ-SJORKVTESA-N 2 1 306.494 3.475 20 0 DGADMP C1CCC2(C1)C[C@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000872085604 622796531 /nfs/dbraw/zinc/79/65/31/622796531.db2.gz NYGLQVLCOFTFEQ-SJORKVTESA-N 2 1 306.494 3.475 20 0 DGADMP Cc1csc([C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000872150179 622833288 /nfs/dbraw/zinc/83/32/88/622833288.db2.gz YTROMTOUPBPRFN-MRXNPFEDSA-N 2 1 313.470 3.087 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)C[C@H]1C(F)(F)F ZINC000872149171 622833292 /nfs/dbraw/zinc/83/32/92/622833292.db2.gz MNYONAGWACRUTR-GAJTVXKRSA-N 2 1 318.770 3.396 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)C[C@H]1C(F)(F)F ZINC000872149171 622833295 /nfs/dbraw/zinc/83/32/95/622833295.db2.gz MNYONAGWACRUTR-GAJTVXKRSA-N 2 1 318.770 3.396 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000872148457 622833300 /nfs/dbraw/zinc/83/33/00/622833300.db2.gz PJLYGHDMNJBWLA-HIFRSBDPSA-N 2 1 316.367 3.012 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148484 622833667 /nfs/dbraw/zinc/83/36/67/622833667.db2.gz JIKBCUOJAGTRJI-MRVWCRGKSA-N 2 1 304.331 3.346 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148484 622833673 /nfs/dbraw/zinc/83/36/73/622833673.db2.gz JIKBCUOJAGTRJI-MRVWCRGKSA-N 2 1 304.331 3.346 20 0 DGADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155243 622835982 /nfs/dbraw/zinc/83/59/82/622835982.db2.gz PAPDIVPJSJUUJJ-IRXDYDNUSA-N 2 1 319.493 3.012 20 0 DGADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872155564 622836746 /nfs/dbraw/zinc/83/67/46/622836746.db2.gz QDOMPLYQMALPSX-UHFFFAOYSA-N 2 1 308.857 3.178 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1)C1CCCC1 ZINC000872157750 622838015 /nfs/dbraw/zinc/83/80/15/622838015.db2.gz QRTHZLOTLOENDF-IMJJTQAJSA-N 2 1 316.436 3.030 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCOC2=O)CC1)CC(C)C ZINC000773732579 623064937 /nfs/dbraw/zinc/06/49/37/623064937.db2.gz RTYOOIDKDQDDPI-SFHVURJKSA-N 2 1 324.509 3.020 20 0 DGADMP CCOc1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873200956 623072951 /nfs/dbraw/zinc/07/29/51/623072951.db2.gz PLCLZVGNPAQONG-UHFFFAOYSA-N 2 1 316.470 3.425 20 0 DGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206626 623074757 /nfs/dbraw/zinc/07/47/57/623074757.db2.gz CWWFVGZFMABCIK-UONOGXRCSA-N 2 1 310.532 3.500 20 0 DGADMP Cc1nc([C@H]2CCC[N@@H+]2Cc2cc3c(s2)CC[NH2+]C3)cs1 ZINC000873208564 623075422 /nfs/dbraw/zinc/07/54/22/623075422.db2.gz RDYWEKJYIQJODA-OAHLLOKOSA-N 2 1 319.499 3.496 20 0 DGADMP Cc1nc([C@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)cs1 ZINC000873208564 623075427 /nfs/dbraw/zinc/07/54/27/623075427.db2.gz RDYWEKJYIQJODA-OAHLLOKOSA-N 2 1 319.499 3.496 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000873222892 623080585 /nfs/dbraw/zinc/08/05/85/623080585.db2.gz DLADZAVNLGNTBH-IBGZPJMESA-N 2 1 318.461 3.045 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)[nH]n1 ZINC000873226727 623081085 /nfs/dbraw/zinc/08/10/85/623081085.db2.gz AEKWKWFFTFYDEJ-BZUAXINKSA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226727 623081093 /nfs/dbraw/zinc/08/10/93/623081093.db2.gz AEKWKWFFTFYDEJ-BZUAXINKSA-N 2 1 304.482 3.101 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n[nH]1 ZINC000873226727 623081100 /nfs/dbraw/zinc/08/11/00/623081100.db2.gz AEKWKWFFTFYDEJ-BZUAXINKSA-N 2 1 304.482 3.101 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000873228095 623083247 /nfs/dbraw/zinc/08/32/47/623083247.db2.gz PNKSOZVRXIWMJE-GJZGRUSLSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000873228095 623083251 /nfs/dbraw/zinc/08/32/51/623083251.db2.gz PNKSOZVRXIWMJE-GJZGRUSLSA-N 2 1 323.362 3.112 20 0 DGADMP CCc1nn(C)cc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231687 623084761 /nfs/dbraw/zinc/08/47/61/623084761.db2.gz ABDXTTRBDXTZMX-QAPCUYQASA-N 2 1 318.509 3.102 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1c(F)cccc1N1CCCC1 ZINC000873231578 623084820 /nfs/dbraw/zinc/08/48/20/623084820.db2.gz PCPHYITWICNUQW-UHFFFAOYSA-N 2 1 307.457 3.377 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1Cl ZINC000873235656 623086765 /nfs/dbraw/zinc/08/67/65/623086765.db2.gz RGYZNYMGUPPZEO-UKRRQHHQSA-N 2 1 303.837 3.346 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cccnc1Cl ZINC000873235655 623086973 /nfs/dbraw/zinc/08/69/73/623086973.db2.gz RGYZNYMGUPPZEO-HIFRSBDPSA-N 2 1 303.837 3.346 20 0 DGADMP Fc1ccc2onc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2c1 ZINC000873248760 623091080 /nfs/dbraw/zinc/09/10/80/623091080.db2.gz IDOHRIWDHNLQHM-FVQBIDKESA-N 2 1 317.408 3.367 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775523565 623284292 /nfs/dbraw/zinc/28/42/92/623284292.db2.gz LDOMESUPACMSJK-NVXWUHKLSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523565 623284295 /nfs/dbraw/zinc/28/42/95/623284295.db2.gz LDOMESUPACMSJK-NVXWUHKLSA-N 2 1 313.420 3.221 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCO2 ZINC000125105403 623317329 /nfs/dbraw/zinc/31/73/29/623317329.db2.gz HSIUKIMTCOULSR-SFHVURJKSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000776026706 623366372 /nfs/dbraw/zinc/36/63/72/623366372.db2.gz ULPDQFQCVUJAGT-NKGKWGDASA-N 2 1 322.880 3.083 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876730754 623690967 /nfs/dbraw/zinc/69/09/67/623690967.db2.gz LDAMPRJAHOUHAO-NSHDSACASA-N 2 1 309.866 3.333 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876730754 623690972 /nfs/dbraw/zinc/69/09/72/623690972.db2.gz LDAMPRJAHOUHAO-NSHDSACASA-N 2 1 309.866 3.333 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876730753 623690990 /nfs/dbraw/zinc/69/09/90/623690990.db2.gz LDAMPRJAHOUHAO-LLVKDONJSA-N 2 1 309.866 3.333 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876730753 623690991 /nfs/dbraw/zinc/69/09/91/623690991.db2.gz LDAMPRJAHOUHAO-LLVKDONJSA-N 2 1 309.866 3.333 20 0 DGADMP Cc1cc(C)cc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000876812365 623713577 /nfs/dbraw/zinc/71/35/77/623713577.db2.gz TTXQVRRJOVZMLN-HSALFYBXSA-N 2 1 316.489 3.029 20 0 DGADMP Clc1nccc2oc(C[NH2+]CCC[NH+]3CCCCC3)cc21 ZINC000876901029 623739939 /nfs/dbraw/zinc/73/99/39/623739939.db2.gz WVNBNEDLKCEPPB-UHFFFAOYSA-N 2 1 307.825 3.447 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc2c(ccnc2Cl)o1)C[NH+]1CCCC1 ZINC000876946469 623751153 /nfs/dbraw/zinc/75/11/53/623751153.db2.gz ROUGKDHSLOMPCG-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000876963922 623756637 /nfs/dbraw/zinc/75/66/37/623756637.db2.gz LEKQTFYOMRDIJK-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876990256 623761023 /nfs/dbraw/zinc/76/10/23/623761023.db2.gz VSYZIWNSZLDPIY-YSIASYRMSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876990256 623761027 /nfs/dbraw/zinc/76/10/27/623761027.db2.gz VSYZIWNSZLDPIY-YSIASYRMSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H](CCO)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000779394014 623765762 /nfs/dbraw/zinc/76/57/62/623765762.db2.gz UNNSLNTWSQBWPG-MRXNPFEDSA-N 2 1 304.478 3.312 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877026909 623768630 /nfs/dbraw/zinc/76/86/30/623768630.db2.gz HUMCIMGSUQBUOF-NSHDSACASA-N 2 1 309.866 3.381 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877115623 623794108 /nfs/dbraw/zinc/79/41/08/623794108.db2.gz RGPBPFZOSWSYCI-CQSZACIVSA-N 2 1 309.885 3.380 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877115623 623794110 /nfs/dbraw/zinc/79/41/10/623794110.db2.gz RGPBPFZOSWSYCI-CQSZACIVSA-N 2 1 309.885 3.380 20 0 DGADMP OC1CC(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877477328 623901160 /nfs/dbraw/zinc/90/11/60/623901160.db2.gz ASWKBNKWXKEGSG-DYENIDHDSA-N 2 1 314.473 3.105 20 0 DGADMP OC1CC(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877477328 623901164 /nfs/dbraw/zinc/90/11/64/623901164.db2.gz ASWKBNKWXKEGSG-DYENIDHDSA-N 2 1 314.473 3.105 20 0 DGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877487502 623908114 /nfs/dbraw/zinc/90/81/14/623908114.db2.gz VKGBDRRXQCXLAI-CABCVRRESA-N 2 1 313.272 3.292 20 0 DGADMP COc1cccc(OC)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497678 623911648 /nfs/dbraw/zinc/91/16/48/623911648.db2.gz XGBUNFHNNRZICF-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C(F)F)nc3)C2)CC1 ZINC000877496003 623911858 /nfs/dbraw/zinc/91/18/58/623911858.db2.gz KSNWOMFBUYUWTD-UHFFFAOYSA-N 2 1 309.404 3.327 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877521176 623921859 /nfs/dbraw/zinc/92/18/59/623921859.db2.gz RZMLXEASASXNHD-QEEYODRMSA-N 2 1 304.415 3.173 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877521176 623921861 /nfs/dbraw/zinc/92/18/61/623921861.db2.gz RZMLXEASASXNHD-QEEYODRMSA-N 2 1 304.415 3.173 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737443 624011146 /nfs/dbraw/zinc/01/11/46/624011146.db2.gz GFJJGJPCOPMQQF-CVEARBPZSA-N 2 1 312.379 3.317 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737443 624011150 /nfs/dbraw/zinc/01/11/50/624011150.db2.gz GFJJGJPCOPMQQF-CVEARBPZSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737443 624011152 /nfs/dbraw/zinc/01/11/52/624011152.db2.gz GFJJGJPCOPMQQF-CVEARBPZSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737443 624011154 /nfs/dbraw/zinc/01/11/54/624011154.db2.gz GFJJGJPCOPMQQF-CVEARBPZSA-N 2 1 312.379 3.317 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741260 624014127 /nfs/dbraw/zinc/01/41/27/624014127.db2.gz AEIBXFWSFBJVNS-ICSRJNTNSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741260 624014131 /nfs/dbraw/zinc/01/41/31/624014131.db2.gz AEIBXFWSFBJVNS-ICSRJNTNSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)ccc2c1 ZINC000877741260 624014135 /nfs/dbraw/zinc/01/41/35/624014135.db2.gz AEIBXFWSFBJVNS-ICSRJNTNSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)ccc2c1 ZINC000877741260 624014139 /nfs/dbraw/zinc/01/41/39/624014139.db2.gz AEIBXFWSFBJVNS-ICSRJNTNSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1O ZINC000877767373 624028829 /nfs/dbraw/zinc/02/88/29/624028829.db2.gz GKTLBSDHQSKWRQ-UHFFFAOYSA-N 2 1 320.477 3.201 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000877989433 624128021 /nfs/dbraw/zinc/12/80/21/624128021.db2.gz UREVGHPSVGQOMN-UHFFFAOYSA-N 2 1 304.356 3.462 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000878041289 624145928 /nfs/dbraw/zinc/14/59/28/624145928.db2.gz SGNLMJPMBIETPT-BGYRXZFFSA-N 2 1 316.489 3.255 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)O2)cc1 ZINC000878123510 624178121 /nfs/dbraw/zinc/17/81/21/624178121.db2.gz APZRATLQMNXALL-HOJAQTOUSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157381 624193780 /nfs/dbraw/zinc/19/37/80/624193780.db2.gz ZTDOSIMHNAVUCW-SJORKVTESA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157381 624193783 /nfs/dbraw/zinc/19/37/83/624193783.db2.gz ZTDOSIMHNAVUCW-SJORKVTESA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878157381 624193784 /nfs/dbraw/zinc/19/37/84/624193784.db2.gz ZTDOSIMHNAVUCW-SJORKVTESA-N 2 1 308.510 3.244 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878166748 624197764 /nfs/dbraw/zinc/19/77/64/624197764.db2.gz DRPFLDHPKRUBPV-YTQUADARSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878166748 624197765 /nfs/dbraw/zinc/19/77/65/624197765.db2.gz DRPFLDHPKRUBPV-YTQUADARSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878166748 624197766 /nfs/dbraw/zinc/19/77/66/624197766.db2.gz DRPFLDHPKRUBPV-YTQUADARSA-N 2 1 302.462 3.180 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCCCC2 ZINC000782184011 624215939 /nfs/dbraw/zinc/21/59/39/624215939.db2.gz PQSLEFKVVRMIRP-ROUUACIJSA-N 2 1 308.510 3.388 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782755797 624280104 /nfs/dbraw/zinc/28/01/04/624280104.db2.gz AOHVEWRVRSJEHX-YLJYHZDGSA-N 2 1 316.489 3.476 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC000878448362 624280439 /nfs/dbraw/zinc/28/04/39/624280439.db2.gz XVQOXALZGLYJOA-SJLPKXTDSA-N 2 1 308.510 3.293 20 0 DGADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000782950308 624293764 /nfs/dbraw/zinc/29/37/64/624293764.db2.gz MGYWMKUXMMQMGE-UHFFFAOYSA-N 2 1 320.477 3.269 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878511449 624293920 /nfs/dbraw/zinc/29/39/20/624293920.db2.gz CHNLSDVFSMSAIO-ULQDDVLXSA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878511449 624293922 /nfs/dbraw/zinc/29/39/22/624293922.db2.gz CHNLSDVFSMSAIO-ULQDDVLXSA-N 2 1 305.466 3.115 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000878562919 624308509 /nfs/dbraw/zinc/30/85/09/624308509.db2.gz INPVCVWWJIFAPT-RBUKOAKNSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000878562919 624308510 /nfs/dbraw/zinc/30/85/10/624308510.db2.gz INPVCVWWJIFAPT-RBUKOAKNSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC[C@@H](O)C(C)C)C2)s1 ZINC000878573142 624311822 /nfs/dbraw/zinc/31/18/22/624311822.db2.gz HQLQIZPZYMUIFZ-FUHWJXTLSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@@H](O)C(C)C)C2)s1 ZINC000878573142 624311823 /nfs/dbraw/zinc/31/18/23/624311823.db2.gz HQLQIZPZYMUIFZ-FUHWJXTLSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@@H](O)C(C)C)C2)s1 ZINC000878573142 624311824 /nfs/dbraw/zinc/31/18/24/624311824.db2.gz HQLQIZPZYMUIFZ-FUHWJXTLSA-N 2 1 324.534 3.217 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652231 624331903 /nfs/dbraw/zinc/33/19/03/624331903.db2.gz NHOXIVJFLTWRPY-UFYCRDLUSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652231 624331904 /nfs/dbraw/zinc/33/19/04/624331904.db2.gz NHOXIVJFLTWRPY-UFYCRDLUSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652231 624331905 /nfs/dbraw/zinc/33/19/05/624331905.db2.gz NHOXIVJFLTWRPY-UFYCRDLUSA-N 2 1 314.473 3.324 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000878668470 624335986 /nfs/dbraw/zinc/33/59/86/624335986.db2.gz WZEOXUKGSYALHY-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000783493131 624358248 /nfs/dbraw/zinc/35/82/48/624358248.db2.gz QTFGIWRDZUXEBN-SJLPKXTDSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000783493131 624358252 /nfs/dbraw/zinc/35/82/52/624358252.db2.gz QTFGIWRDZUXEBN-SJLPKXTDSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000783493131 624358256 /nfs/dbraw/zinc/35/82/56/624358256.db2.gz QTFGIWRDZUXEBN-SJLPKXTDSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000783493131 624358259 /nfs/dbraw/zinc/35/82/59/624358259.db2.gz QTFGIWRDZUXEBN-SJLPKXTDSA-N 2 1 320.477 3.364 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cc2)n1 ZINC000879578766 624598085 /nfs/dbraw/zinc/59/80/85/624598085.db2.gz WCKAEAHVCDAUDA-ICSRJNTNSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)cc2)n1 ZINC000879578766 624598089 /nfs/dbraw/zinc/59/80/89/624598089.db2.gz WCKAEAHVCDAUDA-ICSRJNTNSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578766 624598091 /nfs/dbraw/zinc/59/80/91/624598091.db2.gz WCKAEAHVCDAUDA-ICSRJNTNSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578766 624598095 /nfs/dbraw/zinc/59/80/95/624598095.db2.gz WCKAEAHVCDAUDA-ICSRJNTNSA-N 2 1 324.472 3.015 20 0 DGADMP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580754 624598718 /nfs/dbraw/zinc/59/87/18/624598718.db2.gz JWTNEOWHRAVYPB-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580754 624598725 /nfs/dbraw/zinc/59/87/25/624598725.db2.gz JWTNEOWHRAVYPB-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OCc1ccccc1 ZINC000879580754 624598728 /nfs/dbraw/zinc/59/87/28/624598728.db2.gz JWTNEOWHRAVYPB-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OCc1ccccc1 ZINC000879580754 624598732 /nfs/dbraw/zinc/59/87/32/624598732.db2.gz JWTNEOWHRAVYPB-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)C[N@@H+](CCCc1ccncc1)CC1CC[NH+](C)CC1 ZINC000879703862 624645661 /nfs/dbraw/zinc/64/56/61/624645661.db2.gz DHSXRBNLNJWYQJ-UHFFFAOYSA-N 2 1 303.494 3.314 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)[nH+]c2c1 ZINC000785802027 624735361 /nfs/dbraw/zinc/73/53/61/624735361.db2.gz UTRRPHCJOYBIHU-HZPDHXFCSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)[nH+]c2c1 ZINC000785802027 624735365 /nfs/dbraw/zinc/73/53/65/624735365.db2.gz UTRRPHCJOYBIHU-HZPDHXFCSA-N 2 1 311.429 3.127 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCc2cncn2C)CC1 ZINC000880254809 624871563 /nfs/dbraw/zinc/87/15/63/624871563.db2.gz OJHCULVMYQVYPC-UHFFFAOYSA-N 2 1 318.509 3.083 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCN1c1cc[nH+]cc1 ZINC000880260552 624874800 /nfs/dbraw/zinc/87/48/00/624874800.db2.gz QCKPQMUNHKNBLA-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)n1 ZINC000880259625 624875080 /nfs/dbraw/zinc/87/50/80/624875080.db2.gz XISAJENXMLFHTN-MRXNPFEDSA-N 2 1 310.445 3.113 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1ccccc1F ZINC000880516934 624971295 /nfs/dbraw/zinc/97/12/95/624971295.db2.gz FBYMBDZPFWOWMO-SFHVURJKSA-N 2 1 308.441 3.057 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880568810 624979434 /nfs/dbraw/zinc/97/94/34/624979434.db2.gz DBSWFAXAHWUOBR-LJQANCHMSA-N 2 1 323.444 3.199 20 0 DGADMP C[NH+]1CCC(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000788481158 625193577 /nfs/dbraw/zinc/19/35/77/625193577.db2.gz FGWNFLJCBHEYEZ-HXUWFJFHSA-N 2 1 316.489 3.090 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000788481067 625193701 /nfs/dbraw/zinc/19/37/01/625193701.db2.gz PNRJDIYHMUNLEY-UHFFFAOYSA-N 2 1 318.305 3.145 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788609116 625227682 /nfs/dbraw/zinc/22/76/82/625227682.db2.gz IMLOAPSXPKBMSD-JKSUJKDBSA-N 2 1 313.445 3.348 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000788818305 625275807 /nfs/dbraw/zinc/27/58/07/625275807.db2.gz PEWNJLVXEMCQJF-OAHLLOKOSA-N 2 1 305.809 3.096 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883073267 625916384 /nfs/dbraw/zinc/91/63/84/625916384.db2.gz LBVPIYDPSHKPTR-KRWDZBQOSA-N 2 1 316.489 3.217 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883173323 625953055 /nfs/dbraw/zinc/95/30/55/625953055.db2.gz ILCCIYANBIXDKT-DNVCBOLYSA-N 2 1 320.452 3.225 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCc2ccccc2)s1 ZINC000796258672 626032950 /nfs/dbraw/zinc/03/29/50/626032950.db2.gz QXIRWVUJLMMIJP-UHFFFAOYSA-N 2 1 303.475 3.317 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCO)C2CC2)CC1 ZINC000796819513 626086586 /nfs/dbraw/zinc/08/65/86/626086586.db2.gz SCRRAFZZEGMTQN-SOAGJPPSSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000796943456 626097833 /nfs/dbraw/zinc/09/78/33/626097833.db2.gz YTPRUQQPNXXIRC-TVFCKZIOSA-N 2 1 316.493 3.304 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000796943456 626097834 /nfs/dbraw/zinc/09/78/34/626097834.db2.gz YTPRUQQPNXXIRC-TVFCKZIOSA-N 2 1 316.493 3.304 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000798956679 626262645 /nfs/dbraw/zinc/26/26/45/626262645.db2.gz JSCZBCYWNQMUBZ-KRWDZBQOSA-N 2 1 314.473 3.361 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000800337660 626352666 /nfs/dbraw/zinc/35/26/66/626352666.db2.gz CSIXWVZLGJTJKV-SFHVURJKSA-N 2 1 324.896 3.426 20 0 DGADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000802303207 626558408 /nfs/dbraw/zinc/55/84/08/626558408.db2.gz ZXXBNXWSTHDUJD-MOPGFXCFSA-N 2 1 308.510 3.434 20 0 DGADMP FC1(F)CCC[C@@H]1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883274578 626632120 /nfs/dbraw/zinc/63/21/20/626632120.db2.gz OUZJQIQALGVZFZ-GDBMZVCRSA-N 2 1 316.436 3.045 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883315278 626643498 /nfs/dbraw/zinc/64/34/98/626643498.db2.gz FEFVTZAHTOXCTE-GBESFXJTSA-N 2 1 314.473 3.198 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883315278 626643499 /nfs/dbraw/zinc/64/34/99/626643499.db2.gz FEFVTZAHTOXCTE-GBESFXJTSA-N 2 1 314.473 3.198 20 0 DGADMP c1cn(C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)cn1 ZINC000883386858 626668691 /nfs/dbraw/zinc/66/86/91/626668691.db2.gz NUZBDFMFSOHBCW-FQEVSTJZSA-N 2 1 324.472 3.088 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883424144 626679458 /nfs/dbraw/zinc/67/94/58/626679458.db2.gz IAHZNCDLIRDRAO-OALUTQOASA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883434896 626681481 /nfs/dbraw/zinc/68/14/81/626681481.db2.gz DKOBZXORSSKBHZ-DLBZAZTESA-N 2 1 308.510 3.292 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)CC[C@H]1C(F)(F)F ZINC000883437465 626682095 /nfs/dbraw/zinc/68/20/95/626682095.db2.gz SQJUVWHECLPTBL-GRYCIOLGSA-N 2 1 314.342 3.271 20 0 DGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439434 626682653 /nfs/dbraw/zinc/68/26/53/626682653.db2.gz RDTFTMSVUKCSPA-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439434 626682654 /nfs/dbraw/zinc/68/26/54/626682654.db2.gz RDTFTMSVUKCSPA-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134930976 626893453 /nfs/dbraw/zinc/89/34/53/626893453.db2.gz MHQWXBSZCLQOSL-YLJYHZDGSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1c(C[N@@H+](C)CCC[NH+](C)C)sc2nc(C)nc(C)c12 ZINC000809729254 626942671 /nfs/dbraw/zinc/94/26/71/626942671.db2.gz BZURIJSHQKYPNR-UHFFFAOYSA-N 2 1 306.479 3.000 20 0 DGADMP Cc1c(C[N@H+](C)CCC[NH+](C)C)sc2nc(C)nc(C)c12 ZINC000809729254 626942673 /nfs/dbraw/zinc/94/26/73/626942673.db2.gz BZURIJSHQKYPNR-UHFFFAOYSA-N 2 1 306.479 3.000 20 0 DGADMP COc1cc(C)nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809739106 626944469 /nfs/dbraw/zinc/94/44/69/626944469.db2.gz XOGFHGFCBOBXQR-UHFFFAOYSA-N 2 1 313.445 3.092 20 0 DGADMP COc1cc(C)nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809739106 626944471 /nfs/dbraw/zinc/94/44/71/626944471.db2.gz XOGFHGFCBOBXQR-UHFFFAOYSA-N 2 1 313.445 3.092 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000885929184 627062445 /nfs/dbraw/zinc/06/24/45/627062445.db2.gz MBBHCIWOLHOITB-DLBZAZTESA-N 2 1 314.433 3.013 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885953788 627068349 /nfs/dbraw/zinc/06/83/49/627068349.db2.gz GDXVCFSRSVTJKP-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885953788 627068353 /nfs/dbraw/zinc/06/83/53/627068353.db2.gz GDXVCFSRSVTJKP-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1OC ZINC000885969445 627073735 /nfs/dbraw/zinc/07/37/35/627073735.db2.gz SKFXLGIKCAMKCB-INIZCTEOSA-N 2 1 320.477 3.222 20 0 DGADMP COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1OC ZINC000885969445 627073740 /nfs/dbraw/zinc/07/37/40/627073740.db2.gz SKFXLGIKCAMKCB-INIZCTEOSA-N 2 1 320.477 3.222 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000886172035 627117337 /nfs/dbraw/zinc/11/73/37/627117337.db2.gz UVWUYCKYUVBTMB-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)[nH+]c1C ZINC000886659674 627182394 /nfs/dbraw/zinc/18/23/94/627182394.db2.gz SACSNTAVTSUWNH-GOSISDBHSA-N 2 1 313.445 3.330 20 0 DGADMP Cc1[nH]c(C2CC[NH+](Cc3cc(C4CC4)no3)CC2)[nH+]c1C ZINC000886659945 627182760 /nfs/dbraw/zinc/18/27/60/627182760.db2.gz ZBPFMRNXUINWHG-UHFFFAOYSA-N 2 1 300.406 3.272 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)CC3CCCC3)CC2)[nH+]c1C ZINC000886662798 627183435 /nfs/dbraw/zinc/18/34/35/627183435.db2.gz MGJGOCRVTQNPQK-QGZVFWFLSA-N 2 1 305.466 3.147 20 0 DGADMP Cc1nc(CC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC000886664473 627183739 /nfs/dbraw/zinc/18/37/39/627183739.db2.gz NOSWJUSJZVHTFM-UHFFFAOYSA-N 2 1 304.463 3.214 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838141 627210962 /nfs/dbraw/zinc/21/09/62/627210962.db2.gz RTMRAXXCHYMPTR-KURKYZTESA-N 2 1 306.494 3.047 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1SC ZINC000886872632 627212203 /nfs/dbraw/zinc/21/22/03/627212203.db2.gz XOVLSUBTQDGZOA-SFHVURJKSA-N 2 1 320.502 3.383 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1SC ZINC000886872632 627212205 /nfs/dbraw/zinc/21/22/05/627212205.db2.gz XOVLSUBTQDGZOA-SFHVURJKSA-N 2 1 320.502 3.383 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000887134232 627227708 /nfs/dbraw/zinc/22/77/08/627227708.db2.gz FTJIVVNAZTUPRQ-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000887135177 627228230 /nfs/dbraw/zinc/22/82/30/627228230.db2.gz XSISTYCMPJSEBG-OLZOCXBDSA-N 2 1 314.260 3.176 20 0 DGADMP COC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000814173678 627546357 /nfs/dbraw/zinc/54/63/57/627546357.db2.gz VQFOACJSPRSZEG-PFNPZRIDSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(C[NH+](C)C)c1 ZINC000924570896 627650685 /nfs/dbraw/zinc/65/06/85/627650685.db2.gz RUYKVSHLYSTHLX-HNNXBMFYSA-N 2 1 308.429 3.247 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924660144 627664371 /nfs/dbraw/zinc/66/43/71/627664371.db2.gz XECQMOTXDKESLX-HOTGVXAUSA-N 2 1 304.478 3.287 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924684209 627666193 /nfs/dbraw/zinc/66/61/93/627666193.db2.gz JVILZTFYSXZZME-UKBAYJJMSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924684204 627666496 /nfs/dbraw/zinc/66/64/96/627666496.db2.gz JVILZTFYSXZZME-JFRXWTBNSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)n1 ZINC000924697448 627669488 /nfs/dbraw/zinc/66/94/88/627669488.db2.gz TVPWFUJGEYSITI-YNEHKIRRSA-N 2 1 324.266 3.122 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000815579635 627687027 /nfs/dbraw/zinc/68/70/27/627687027.db2.gz ROYDZSTURDNUHH-QAPCUYQASA-N 2 1 320.452 3.428 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000924855149 627688084 /nfs/dbraw/zinc/68/80/84/627688084.db2.gz VTSBLRJZIWNQPS-KVPLUYHFSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616210 627691090 /nfs/dbraw/zinc/69/10/90/627691090.db2.gz JABDIQQLUHBKHN-KDOFPFPSSA-N 2 1 322.518 3.294 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1SC(C)(C)C ZINC000815616210 627691094 /nfs/dbraw/zinc/69/10/94/627691094.db2.gz JABDIQQLUHBKHN-KDOFPFPSSA-N 2 1 322.518 3.294 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924936510 627694871 /nfs/dbraw/zinc/69/48/71/627694871.db2.gz DPTIKCVAOYMWJS-QUCCMNQESA-N 2 1 323.484 3.167 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(Cl)CC1 ZINC000924941115 627695272 /nfs/dbraw/zinc/69/52/72/627695272.db2.gz SZFMHIDBNYAIHP-DOTOQJQBSA-N 2 1 306.881 3.301 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(Cl)CC1 ZINC000924941119 627695745 /nfs/dbraw/zinc/69/57/45/627695745.db2.gz SZFMHIDBNYAIHP-RDJZCZTQSA-N 2 1 306.881 3.301 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(Cl)CC1 ZINC000924941117 627695778 /nfs/dbraw/zinc/69/57/78/627695778.db2.gz SZFMHIDBNYAIHP-NVXWUHKLSA-N 2 1 306.881 3.301 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924948611 627696185 /nfs/dbraw/zinc/69/61/85/627696185.db2.gz DWZYMBCKJJILKC-HOTGVXAUSA-N 3 1 314.477 3.240 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924950232 627696434 /nfs/dbraw/zinc/69/64/34/627696434.db2.gz IMZPCNSVMAFNDR-IAQYHMDHSA-N 2 1 304.825 3.153 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924954942 627697504 /nfs/dbraw/zinc/69/75/04/627697504.db2.gz YILHXZGYVSWXOW-KBPBESRZSA-N 2 1 301.438 3.100 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000925079309 627706502 /nfs/dbraw/zinc/70/65/02/627706502.db2.gz JARQDBBWCZJZLK-CVEARBPZSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1ncc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925083987 627706685 /nfs/dbraw/zinc/70/66/85/627706685.db2.gz RJNAPLINHKTQHU-LJQANCHMSA-N 2 1 316.493 3.263 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)(C)CO ZINC000925079312 627706919 /nfs/dbraw/zinc/70/69/19/627706919.db2.gz JARQDBBWCZJZLK-JKSUJKDBSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)CC2)nc(C)[nH+]1 ZINC000925222830 627720821 /nfs/dbraw/zinc/72/08/21/627720821.db2.gz DDERBZDYXVVQEA-JZXOWHBKSA-N 2 1 312.461 3.007 20 0 DGADMP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925281616 627727392 /nfs/dbraw/zinc/72/73/92/627727392.db2.gz ZDJUBPVKAWLENX-ULQDDVLXSA-N 2 1 324.472 3.284 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CC[NH2+]C3(C)C)s2)cs1 ZINC000925524503 627746839 /nfs/dbraw/zinc/74/68/39/627746839.db2.gz UNYRQMZRAFUPCQ-HNNXBMFYSA-N 2 1 321.515 3.453 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000925528938 627748384 /nfs/dbraw/zinc/74/83/84/627748384.db2.gz GPVTZDVUKFXBSP-DOTOQJQBSA-N 3 1 307.526 3.279 20 0 DGADMP C[C@H]([NH3+])[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000925529178 627748504 /nfs/dbraw/zinc/74/85/04/627748504.db2.gz WWVITCXEUZWOFJ-JQFCIGGWSA-N 2 1 303.475 3.029 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925552972 627752574 /nfs/dbraw/zinc/75/25/74/627752574.db2.gz LWLCWSDHLQOWIT-XDNAFOTISA-N 3 1 307.526 3.007 20 0 DGADMP Cc1sc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)nc1-c1ccccc1 ZINC000925589333 627759839 /nfs/dbraw/zinc/75/98/39/627759839.db2.gz XIHSEKYBRYCZDY-CJNGLKHVSA-N 2 1 315.486 3.391 20 0 DGADMP Cc1sc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)nc1-c1ccccc1 ZINC000925589334 627760146 /nfs/dbraw/zinc/76/01/46/627760146.db2.gz XIHSEKYBRYCZDY-CZUORRHYSA-N 2 1 315.486 3.391 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925606634 627761614 /nfs/dbraw/zinc/76/16/14/627761614.db2.gz PDQQDWSGMNJZKA-QZTJIDSGSA-N 2 1 317.477 3.127 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925615887 627763307 /nfs/dbraw/zinc/76/33/07/627763307.db2.gz ISSPKJSTEVMEEX-YQVWRLOYSA-N 2 1 303.494 3.033 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620930 627764324 /nfs/dbraw/zinc/76/43/24/627764324.db2.gz DRDHKAXQHNUHGK-NEWSRXKRSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H](CCN[C@H]2CC[NH2+]C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000925620930 627764326 /nfs/dbraw/zinc/76/43/26/627764326.db2.gz DRDHKAXQHNUHGK-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H](CCN[C@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620930 627764330 /nfs/dbraw/zinc/76/43/30/627764330.db2.gz DRDHKAXQHNUHGK-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H](CCN[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000925647917 627769596 /nfs/dbraw/zinc/76/95/96/627769596.db2.gz KIUGBXAMFXJPQD-PKOBYXMFSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@H](CCN[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000925647916 627769952 /nfs/dbraw/zinc/76/99/52/627769952.db2.gz KIUGBXAMFXJPQD-MJGOQNOKSA-N 2 1 303.494 3.321 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925715922 627780379 /nfs/dbraw/zinc/78/03/79/627780379.db2.gz KNBKYPDPKXMAMB-AEFFLSMTSA-N 2 1 306.425 3.092 20 0 DGADMP CCSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000925731137 627783821 /nfs/dbraw/zinc/78/38/21/627783821.db2.gz JYPDMISGOBQSKP-KURKYZTESA-N 2 1 320.502 3.045 20 0 DGADMP CCC1([NH3+])CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000925759781 627789759 /nfs/dbraw/zinc/78/97/59/627789759.db2.gz LQDKGQMNNYNZIS-IEBWSBKVSA-N 2 1 315.505 3.243 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000925760236 627790332 /nfs/dbraw/zinc/79/03/32/627790332.db2.gz VRGTVZRGJCLVAW-HNNXBMFYSA-N 2 1 312.461 3.445 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(F)c1 ZINC000925781994 627794664 /nfs/dbraw/zinc/79/46/64/627794664.db2.gz JQIAUIFJYVQWKP-ONGXEEELSA-N 2 1 306.759 3.375 20 0 DGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925782498 627794911 /nfs/dbraw/zinc/79/49/11/627794911.db2.gz LXVIXNVFEBPHND-CMPLNLGQSA-N 2 1 317.449 3.470 20 0 DGADMP C1CC[C@H]2CC[C@@H]([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)C[C@H]2C1 ZINC000925796618 627796896 /nfs/dbraw/zinc/79/68/96/627796896.db2.gz SGOMPXKKTJZCKT-BSDSXHPESA-N 2 1 306.494 3.094 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC[NH2+]2)cc1 ZINC000925833055 627802216 /nfs/dbraw/zinc/80/22/16/627802216.db2.gz QDAKHLPPVMXPJW-WJFTUGDTSA-N 2 1 300.446 3.029 20 0 DGADMP CC(C)n1cc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119656 627846908 /nfs/dbraw/zinc/84/69/08/627846908.db2.gz OLLYXTGIUXVVTC-JYJNAYRXSA-N 2 1 319.497 3.163 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926324922 627879757 /nfs/dbraw/zinc/87/97/57/627879757.db2.gz HOINWYIOOIIMPF-YUKKFIBKSA-N 2 1 314.473 3.056 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1COCc2cccc(Cl)c21)C1CC1 ZINC000926561578 627914987 /nfs/dbraw/zinc/91/49/87/627914987.db2.gz ZFXFCSXGLVPWGC-MRXNPFEDSA-N 2 1 308.853 3.375 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnn1CC1CCC1 ZINC000926561609 627915064 /nfs/dbraw/zinc/91/50/64/627915064.db2.gz ZKQCQOOPPTUHTI-HNNXBMFYSA-N 2 1 304.482 3.208 20 0 DGADMP C[N@@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@@H]1c1cccnc1 ZINC000926582428 627917870 /nfs/dbraw/zinc/91/78/70/627917870.db2.gz YALIHSWDHALPJK-VGUREELVSA-N 2 1 317.502 3.091 20 0 DGADMP C[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@@H]1c1cccnc1 ZINC000926582428 627917873 /nfs/dbraw/zinc/91/78/73/627917873.db2.gz YALIHSWDHALPJK-VGUREELVSA-N 2 1 317.502 3.091 20 0 DGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635353 627924309 /nfs/dbraw/zinc/92/43/09/627924309.db2.gz NTDATLLDBQTEFC-YSTOQKLRSA-N 2 1 318.505 3.251 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@H]2COCc3cccc(Cl)c32)C1 ZINC000926753165 627946744 /nfs/dbraw/zinc/94/67/44/627946744.db2.gz FQFBZIIDHJIJIC-BBRMVZONSA-N 2 1 308.853 3.233 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000926766661 627949655 /nfs/dbraw/zinc/94/96/55/627949655.db2.gz YHVAMOSTVYMQGD-IBGZPJMESA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817891853 627953335 /nfs/dbraw/zinc/95/33/35/627953335.db2.gz OKCUYXDYNMSRCM-QMTHXVAHSA-N 2 1 315.230 3.066 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817896852 627955288 /nfs/dbraw/zinc/95/52/88/627955288.db2.gz WVUJIZJZANLACN-RBSFLKMASA-N 2 1 317.260 3.276 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897857 627955361 /nfs/dbraw/zinc/95/53/61/627955361.db2.gz XHECWVQBMNHCSS-LMMKCTJWSA-N 2 1 301.478 3.084 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000817905687 627958120 /nfs/dbraw/zinc/95/81/20/627958120.db2.gz MEDVTXFDYZRRPI-MCIONIFRSA-N 2 1 317.260 3.276 20 0 DGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817905432 627958258 /nfs/dbraw/zinc/95/82/58/627958258.db2.gz NAHBTXLNPRAGBO-JNPHEJMOSA-N 2 1 314.404 3.372 20 0 DGADMP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000817913608 627960304 /nfs/dbraw/zinc/96/03/04/627960304.db2.gz LRXRPTKSOVKSHH-MRXNPFEDSA-N 3 1 304.482 3.191 20 0 DGADMP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000817913607 627960834 /nfs/dbraw/zinc/96/08/34/627960834.db2.gz LRXRPTKSOVKSHH-INIZCTEOSA-N 3 1 304.482 3.191 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC000817927356 627963927 /nfs/dbraw/zinc/96/39/27/627963927.db2.gz JXJSBMMBNLRYRW-IXDOHACOSA-N 2 1 320.795 3.247 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)ncn3C)CC1 ZINC000926883563 627969171 /nfs/dbraw/zinc/96/91/71/627969171.db2.gz BPZBKFIIWMNWCT-UHFFFAOYSA-N 2 1 314.477 3.173 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCC[NH2+]C(C)C)cnn1-c1ccccc1 ZINC000817952859 627972819 /nfs/dbraw/zinc/97/28/19/627972819.db2.gz IGVHGYNIOBBWLC-HNNXBMFYSA-N 2 1 300.450 3.219 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1ccccc1 ZINC000817964638 627976875 /nfs/dbraw/zinc/97/68/75/627976875.db2.gz GWHJJKJSQYGYPR-BEFAXECRSA-N 2 1 312.461 3.221 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SC(F)F)cc1 ZINC000817982078 627982802 /nfs/dbraw/zinc/98/28/02/627982802.db2.gz PLAYQHURDNITQG-AAEUAGOBSA-N 2 1 316.417 3.030 20 0 DGADMP C1CC[C@@H]2C[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC[C@H]2C1 ZINC000817983263 627983501 /nfs/dbraw/zinc/98/35/01/627983501.db2.gz LGLXTRFZGWUZCI-ZPTVKNSZSA-N 2 1 319.537 3.151 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cnn1-c1ccccc1 ZINC000817983137 627983821 /nfs/dbraw/zinc/98/38/21/627983821.db2.gz YUVUKFFYIQWXPR-AUUYWEPGSA-N 2 1 312.461 3.349 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(-c2ccccc2)c1 ZINC000817986496 627984639 /nfs/dbraw/zinc/98/46/39/627984639.db2.gz QQMULWUTFSYOGS-RDJZCZTQSA-N 2 1 310.445 3.198 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927015354 627998240 /nfs/dbraw/zinc/99/82/40/627998240.db2.gz BEQXFUCYXKEOCH-SXLOBPIMSA-N 2 1 316.489 3.446 20 0 DGADMP COC(OC)c1ccc(F)c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000818196551 628003225 /nfs/dbraw/zinc/00/32/25/628003225.db2.gz YVPUGKDFGNQVEH-JKSUJKDBSA-N 2 1 324.440 3.080 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000818959589 628067026 /nfs/dbraw/zinc/06/70/26/628067026.db2.gz OLBPDSUKWDCQRU-IEBWSBKVSA-N 2 1 304.478 3.130 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000818960080 628067236 /nfs/dbraw/zinc/06/72/36/628067236.db2.gz XHZNICKLAYDWSX-MJGOQNOKSA-N 2 1 304.478 3.273 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000818960229 628067243 /nfs/dbraw/zinc/06/72/43/628067243.db2.gz DWJRWYZICIVSLN-FUHIMQAGSA-N 2 1 318.505 3.376 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000818959234 628067351 /nfs/dbraw/zinc/06/73/51/628067351.db2.gz GBVQFOQEPQDYQC-LPHOPBHVSA-N 2 1 322.468 3.412 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000818971612 628070492 /nfs/dbraw/zinc/07/04/92/628070492.db2.gz ZFKJJPHJZAJYTK-IBGZPJMESA-N 2 1 316.420 3.101 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000819183326 628108088 /nfs/dbraw/zinc/10/80/88/628108088.db2.gz VBONHDVOCLWIRY-ICSRJNTNSA-N 2 1 318.505 3.294 20 0 DGADMP c1cn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000820808421 628299000 /nfs/dbraw/zinc/29/90/00/628299000.db2.gz FKJCQSCDHOIBIM-JLYLLQBASA-N 3 1 322.456 3.120 20 0 DGADMP c1cn(-c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000820808421 628299003 /nfs/dbraw/zinc/29/90/03/628299003.db2.gz FKJCQSCDHOIBIM-JLYLLQBASA-N 3 1 322.456 3.120 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820806689 628299117 /nfs/dbraw/zinc/29/91/17/628299117.db2.gz OIGBUVCIIJCKDJ-OAHLLOKOSA-N 3 1 301.478 3.026 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000835064449 629842927 /nfs/dbraw/zinc/84/29/27/629842927.db2.gz WCCXGLPQDDVDLB-UHFFFAOYSA-N 2 1 318.461 3.296 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000840808807 630360619 /nfs/dbraw/zinc/36/06/19/630360619.db2.gz FHTIJURYXXACTQ-FXAWDEMLSA-N 2 1 316.489 3.476 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841008728 630395105 /nfs/dbraw/zinc/39/51/05/630395105.db2.gz BCXYOEGEHLKBDY-OKZBNKHCSA-N 2 1 308.441 3.087 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841008728 630395108 /nfs/dbraw/zinc/39/51/08/630395108.db2.gz BCXYOEGEHLKBDY-OKZBNKHCSA-N 2 1 308.441 3.087 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000841091381 630406921 /nfs/dbraw/zinc/40/69/21/630406921.db2.gz YPQWBOFNQGYZNF-IAQYHMDHSA-N 2 1 300.418 3.418 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000842472106 630538588 /nfs/dbraw/zinc/53/85/88/630538588.db2.gz QUGHKJGVZWWCDA-MOPGFXCFSA-N 2 1 304.478 3.484 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)oc21 ZINC000843046536 630608052 /nfs/dbraw/zinc/60/80/52/630608052.db2.gz YMSFOOPIJOCDCH-RDJZCZTQSA-N 2 1 314.429 3.405 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)oc21 ZINC000843046536 630608054 /nfs/dbraw/zinc/60/80/54/630608054.db2.gz YMSFOOPIJOCDCH-RDJZCZTQSA-N 2 1 314.429 3.405 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1Cl ZINC000843113508 630615053 /nfs/dbraw/zinc/61/50/53/630615053.db2.gz VYHNEXCSWQDINL-CQSZACIVSA-N 2 1 312.889 3.206 20 0 DGADMP C[C@@]1(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]C1 ZINC000843119583 630615598 /nfs/dbraw/zinc/61/55/98/630615598.db2.gz UESDYEDOPUVEJT-GDBMZVCRSA-N 2 1 312.379 3.494 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)oc21 ZINC000843118865 630615984 /nfs/dbraw/zinc/61/59/84/630615984.db2.gz PUEQVBDHHJLTPB-GOSISDBHSA-N 2 1 300.402 3.017 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)oc21 ZINC000843118865 630615986 /nfs/dbraw/zinc/61/59/86/630615986.db2.gz PUEQVBDHHJLTPB-GOSISDBHSA-N 2 1 300.402 3.017 20 0 DGADMP CC(C)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843181766 630628781 /nfs/dbraw/zinc/62/87/81/630628781.db2.gz PXNAEHUSHBTTAH-INIZCTEOSA-N 2 1 314.433 3.378 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000843359043 630649625 /nfs/dbraw/zinc/64/96/25/630649625.db2.gz FDSFKAQJECMPFE-OWCLPIDISA-N 2 1 308.491 3.026 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(Cl)cc1 ZINC000843360536 630649854 /nfs/dbraw/zinc/64/98/54/630649854.db2.gz BUNRXVRUOHOJBR-VHRNVKJDSA-N 2 1 321.852 3.013 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Cl)cc1 ZINC000843360536 630649856 /nfs/dbraw/zinc/64/98/56/630649856.db2.gz BUNRXVRUOHOJBR-VHRNVKJDSA-N 2 1 321.852 3.013 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000843360162 630649869 /nfs/dbraw/zinc/64/98/69/630649869.db2.gz CETSHQCFVNCIAJ-YHWZYXNKSA-N 2 1 312.816 3.202 20 0 DGADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000843377745 630650973 /nfs/dbraw/zinc/65/09/73/630650973.db2.gz JARNOSZCDAEVIR-HOTGVXAUSA-N 2 1 317.477 3.199 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000844220674 630712812 /nfs/dbraw/zinc/71/28/12/630712812.db2.gz JIDJQPXESCNEPS-UHFFFAOYSA-N 2 1 305.447 3.413 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846106231 631209785 /nfs/dbraw/zinc/20/97/85/631209785.db2.gz YOKNHZNDFWOGKB-LBPRGKRZSA-N 2 1 302.249 3.211 20 0 DGADMP CCOc1cc2c(cc1OCC)C[N@@H+](CCCCCC[NH3+])CC2 ZINC000846217760 631215478 /nfs/dbraw/zinc/21/54/78/631215478.db2.gz PIKWIEPHCMFSCA-UHFFFAOYSA-N 2 1 320.477 3.361 20 0 DGADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000846224361 631215664 /nfs/dbraw/zinc/21/56/64/631215664.db2.gz VQIRJXSDEUYKPM-INIZCTEOSA-N 2 1 313.449 3.128 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000846224361 631215665 /nfs/dbraw/zinc/21/56/65/631215665.db2.gz VQIRJXSDEUYKPM-INIZCTEOSA-N 2 1 313.449 3.128 20 0 DGADMP C[C@@H]([NH2+]CC1(Br)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853634 631329105 /nfs/dbraw/zinc/32/91/05/631329105.db2.gz GGYWCVCLWKAPPK-CHWSQXEVSA-N 2 1 315.299 3.157 20 0 DGADMP c1cc(N2CCCCC2)ccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925485887 631478045 /nfs/dbraw/zinc/47/80/45/631478045.db2.gz PJKZHGKZSFFMRK-IBGZPJMESA-N 2 1 313.489 3.094 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccccc2C(C)C)CC1 ZINC000848529615 631680172 /nfs/dbraw/zinc/68/01/72/631680172.db2.gz YUGCYNUBSDTPND-UHFFFAOYSA-N 2 1 317.521 3.317 20 0 DGADMP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000848985370 631797289 /nfs/dbraw/zinc/79/72/89/631797289.db2.gz AAJXIDKLOQMRBK-JKSUJKDBSA-N 2 1 316.493 3.331 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1 ZINC000848985423 631797450 /nfs/dbraw/zinc/79/74/50/631797450.db2.gz YPORONVLTSMSSY-HNNXBMFYSA-N 2 1 314.477 3.085 20 0 DGADMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000849053874 631819797 /nfs/dbraw/zinc/81/97/97/631819797.db2.gz TVJRMRUVFYPQIX-HNNXBMFYSA-N 2 1 302.466 3.450 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000849071320 631826398 /nfs/dbraw/zinc/82/63/98/631826398.db2.gz GLDJXTFOASPBAW-LJQANCHMSA-N 2 1 324.472 3.220 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000850361026 632125862 /nfs/dbraw/zinc/12/58/62/632125862.db2.gz MTBMPFYGVAZQEU-HXUWFJFHSA-N 2 1 321.424 3.124 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850433992 632152095 /nfs/dbraw/zinc/15/20/95/632152095.db2.gz SZGHJPAQIQGQKL-KZNAEPCWSA-N 2 1 322.880 3.114 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850433992 632152099 /nfs/dbraw/zinc/15/20/99/632152099.db2.gz SZGHJPAQIQGQKL-KZNAEPCWSA-N 2 1 322.880 3.114 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850474291 632163859 /nfs/dbraw/zinc/16/38/59/632163859.db2.gz LGWRSPHIRVVZQG-JKSUJKDBSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000850514454 632176079 /nfs/dbraw/zinc/17/60/79/632176079.db2.gz FWYNESNEUBBFOW-ANULTFPQSA-N 2 1 324.468 3.336 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000703017969 660755530 /nfs/dbraw/zinc/75/55/30/660755530.db2.gz OVEZXEFQJCJIMB-OXHPOLQJSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000703017969 660755531 /nfs/dbraw/zinc/75/55/31/660755531.db2.gz OVEZXEFQJCJIMB-OXHPOLQJSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000708541447 660924117 /nfs/dbraw/zinc/92/41/17/660924117.db2.gz JZKDAFAOVAJOFB-OXQOHEQNSA-N 2 1 309.457 3.248 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cscc1Br ZINC000709990471 660931758 /nfs/dbraw/zinc/93/17/58/660931758.db2.gz CJROGSCZGFYWFW-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793206474 661012589 /nfs/dbraw/zinc/01/25/89/661012589.db2.gz IOLLBIAOFBLQNO-KRWDZBQOSA-N 2 1 313.420 3.141 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCCC1 ZINC000806130765 655584209 /nfs/dbraw/zinc/58/42/09/655584209.db2.gz DELXEEPPJLZNQO-HIFRSBDPSA-N 2 1 307.869 3.434 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000723687240 655716392 /nfs/dbraw/zinc/71/63/92/655716392.db2.gz SDMXOUVKBBIWLE-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)CC(C)C ZINC000161268354 655776530 /nfs/dbraw/zinc/77/65/30/655776530.db2.gz OXXWFQPGYKYICY-KRWDZBQOSA-N 2 1 312.498 3.018 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000892624835 655965274 /nfs/dbraw/zinc/96/52/74/655965274.db2.gz WZSGYJXGIHOXTJ-UHFFFAOYSA-N 2 1 304.482 3.045 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000309748434 656117347 /nfs/dbraw/zinc/11/73/47/656117347.db2.gz YNXPFFZQYDGURJ-RACLHMPKSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000310019827 656132135 /nfs/dbraw/zinc/13/21/35/656132135.db2.gz QRKFDDDMGHWKFN-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP CCCC[N@@H+](C[C@H]1CCC(=O)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033122 656161710 /nfs/dbraw/zinc/16/17/10/656161710.db2.gz DYBHJGVXXOLJGI-OAHLLOKOSA-N 2 1 310.482 3.103 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000723679645 656499027 /nfs/dbraw/zinc/49/90/27/656499027.db2.gz FCTZGUGDGROCGK-KRWDZBQOSA-N 2 1 310.441 3.436 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000317213675 656582963 /nfs/dbraw/zinc/58/29/63/656582963.db2.gz KECBFWAMOQFPAG-MRXNPFEDSA-N 2 1 300.450 3.255 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC)CC1 ZINC001052860563 656777516 /nfs/dbraw/zinc/77/75/16/656777516.db2.gz UUPWYRYTEHHLIA-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC)CC1 ZINC001052860563 656777519 /nfs/dbraw/zinc/77/75/19/656777519.db2.gz UUPWYRYTEHHLIA-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC)CC1 ZINC001052860563 656777523 /nfs/dbraw/zinc/77/75/23/656777523.db2.gz UUPWYRYTEHHLIA-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Brc1c[nH+]ccc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261582670 656919482 /nfs/dbraw/zinc/91/94/82/656919482.db2.gz GUCYGQFODNENKJ-HNNXBMFYSA-N 2 1 318.218 3.143 20 0 DGADMP CCC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)C1CC[NH2+]CC1 ZINC000261788796 657096653 /nfs/dbraw/zinc/09/66/53/657096653.db2.gz SUPSVCFIGDKATG-UHFFFAOYSA-N 2 1 314.429 3.065 20 0 DGADMP O[C@@H](C[C@@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1cccs1 ZINC000178977085 657377714 /nfs/dbraw/zinc/37/77/14/657377714.db2.gz FKHAGNVEHOIAEO-IRXDYDNUSA-N 2 1 322.518 3.416 20 0 DGADMP CCCn1c2ccccc2nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262125387 657384632 /nfs/dbraw/zinc/38/46/32/657384632.db2.gz XRGCPOOENNRFGZ-UHFFFAOYSA-N 2 1 312.461 3.022 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251634785 657526449 /nfs/dbraw/zinc/52/64/49/657526449.db2.gz FPDCTUBCEBAUIO-UHIISALHSA-N 2 1 302.340 3.315 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252791116 657633491 /nfs/dbraw/zinc/63/34/91/657633491.db2.gz ZMBTUIIIWDTWDY-DMDPSCGWSA-N 2 1 302.340 3.315 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562128 657639336 /nfs/dbraw/zinc/63/93/36/657639336.db2.gz ISPCTLAZANGBGN-RHSMWYFYSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562128 657639343 /nfs/dbraw/zinc/63/93/43/657639343.db2.gz ISPCTLAZANGBGN-RHSMWYFYSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562128 657639350 /nfs/dbraw/zinc/63/93/50/657639350.db2.gz ISPCTLAZANGBGN-RHSMWYFYSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562128 657639354 /nfs/dbraw/zinc/63/93/54/657639354.db2.gz ISPCTLAZANGBGN-RHSMWYFYSA-N 2 1 310.869 3.037 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2s1 ZINC000305297346 657704000 /nfs/dbraw/zinc/70/40/00/657704000.db2.gz GVBRGYFKWIRUFE-BZUAXINKSA-N 2 1 316.470 3.151 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2s1 ZINC000305297346 657704010 /nfs/dbraw/zinc/70/40/10/657704010.db2.gz GVBRGYFKWIRUFE-BZUAXINKSA-N 2 1 316.470 3.151 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000321660644 658275316 /nfs/dbraw/zinc/27/53/16/658275316.db2.gz QWLHATXMOFQFKR-GJYPPUQNSA-N 2 1 314.473 3.252 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000321660644 658275320 /nfs/dbraw/zinc/27/53/20/658275320.db2.gz QWLHATXMOFQFKR-GJYPPUQNSA-N 2 1 314.473 3.252 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000321660641 658275356 /nfs/dbraw/zinc/27/53/56/658275356.db2.gz QWLHATXMOFQFKR-FCEWJHQRSA-N 2 1 314.473 3.252 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000321660641 658275362 /nfs/dbraw/zinc/27/53/62/658275362.db2.gz QWLHATXMOFQFKR-FCEWJHQRSA-N 2 1 314.473 3.252 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOC2CC2)CC1 ZINC000929485260 661311130 /nfs/dbraw/zinc/31/11/30/661311130.db2.gz GLFIJAPNPLSSKB-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1nc(C)c(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[nH]1 ZINC000929754907 661334595 /nfs/dbraw/zinc/33/45/95/661334595.db2.gz IHILJHXEQYDFHZ-OAHLLOKOSA-N 2 1 312.461 3.123 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCN1C ZINC000929782360 661337925 /nfs/dbraw/zinc/33/79/25/661337925.db2.gz MDGTVWWHLYMIKZ-QMCVQRASSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782360 661337928 /nfs/dbraw/zinc/33/79/28/661337928.db2.gz MDGTVWWHLYMIKZ-QMCVQRASSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782360 661337930 /nfs/dbraw/zinc/33/79/30/661337930.db2.gz MDGTVWWHLYMIKZ-QMCVQRASSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782360 661337933 /nfs/dbraw/zinc/33/79/33/661337933.db2.gz MDGTVWWHLYMIKZ-QMCVQRASSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782360 661337935 /nfs/dbraw/zinc/33/79/35/661337935.db2.gz MDGTVWWHLYMIKZ-QMCVQRASSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782360 661337937 /nfs/dbraw/zinc/33/79/37/661337937.db2.gz MDGTVWWHLYMIKZ-QMCVQRASSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782360 661337939 /nfs/dbraw/zinc/33/79/39/661337939.db2.gz MDGTVWWHLYMIKZ-QMCVQRASSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CCN1C ZINC000929779484 661337953 /nfs/dbraw/zinc/33/79/53/661337953.db2.gz ADVRLQAECYCZQD-HZPDHXFCSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929779484 661337954 /nfs/dbraw/zinc/33/79/54/661337954.db2.gz ADVRLQAECYCZQD-HZPDHXFCSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929779484 661337957 /nfs/dbraw/zinc/33/79/57/661337957.db2.gz ADVRLQAECYCZQD-HZPDHXFCSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779484 661337958 /nfs/dbraw/zinc/33/79/58/661337958.db2.gz ADVRLQAECYCZQD-HZPDHXFCSA-N 2 1 324.509 3.303 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2(C(=O)OC(C)(C)C)CCC2)CC[NH+]1C ZINC000929779484 661337961 /nfs/dbraw/zinc/33/79/61/661337961.db2.gz ADVRLQAECYCZQD-HZPDHXFCSA-N 2 1 324.509 3.303 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842012 661343915 /nfs/dbraw/zinc/34/39/15/661343915.db2.gz AVTXLTCHDZSCGO-OAHAVBBTSA-N 2 1 314.473 3.150 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842012 661343918 /nfs/dbraw/zinc/34/39/18/661343918.db2.gz AVTXLTCHDZSCGO-OAHAVBBTSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842012 661343919 /nfs/dbraw/zinc/34/39/19/661343919.db2.gz AVTXLTCHDZSCGO-OAHAVBBTSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842012 661343922 /nfs/dbraw/zinc/34/39/22/661343922.db2.gz AVTXLTCHDZSCGO-OAHAVBBTSA-N 2 1 314.473 3.150 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000930001775 661356981 /nfs/dbraw/zinc/35/69/81/661356981.db2.gz WFBHHUSVGZYPLZ-QPSCCSFWSA-N 2 1 322.415 3.149 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930061473 661362342 /nfs/dbraw/zinc/36/23/42/661362342.db2.gz RIHILRXJEXBDPA-KBPBESRZSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930061473 661362344 /nfs/dbraw/zinc/36/23/44/661362344.db2.gz RIHILRXJEXBDPA-KBPBESRZSA-N 2 1 319.371 3.013 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000930116885 661367931 /nfs/dbraw/zinc/36/79/31/661367931.db2.gz AJJYANQOXOOPRE-MNZLEMJZSA-N 2 1 304.478 3.384 20 0 DGADMP c1cc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)sn1 ZINC000930267334 661383341 /nfs/dbraw/zinc/38/33/41/661383341.db2.gz SCTVROWDVZJROB-UHFFFAOYSA-N 2 1 316.474 3.098 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C3CC(OCc4ccccc4)C3)C2)C1 ZINC000930576579 661412523 /nfs/dbraw/zinc/41/25/23/661412523.db2.gz FLQCCLPZADETQU-MHJFOBGBSA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C3CC(OCc4ccccc4)C3)C2)C1 ZINC000930576579 661412525 /nfs/dbraw/zinc/41/25/25/661412525.db2.gz FLQCCLPZADETQU-MHJFOBGBSA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C3CC(OCc4ccccc4)C3)C2)C1 ZINC000930576579 661412527 /nfs/dbraw/zinc/41/25/27/661412527.db2.gz FLQCCLPZADETQU-MHJFOBGBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](CCCc3cccnc3)CC2)cc1 ZINC000930614961 661415587 /nfs/dbraw/zinc/41/55/87/661415587.db2.gz LCFDLLVKQZVAPK-UHFFFAOYSA-N 2 1 309.457 3.268 20 0 DGADMP c1cc(N2CCC[N@H+](C[C@@H]3CCCC4(CCC4)O3)CC2)cc[nH+]1 ZINC000930805679 661431515 /nfs/dbraw/zinc/43/15/15/661431515.db2.gz HUMVQLBWCKDJIR-SFHVURJKSA-N 2 1 315.461 3.086 20 0 DGADMP CCSc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931074411 661449655 /nfs/dbraw/zinc/44/96/55/661449655.db2.gz FGLCCWSSFCIHDJ-QGZVFWFLSA-N 2 1 322.518 3.341 20 0 DGADMP CCSc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931074411 661449657 /nfs/dbraw/zinc/44/96/57/661449657.db2.gz FGLCCWSSFCIHDJ-QGZVFWFLSA-N 2 1 322.518 3.341 20 0 DGADMP c1ccc(CCCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931286758 661464195 /nfs/dbraw/zinc/46/41/95/661464195.db2.gz IZZBXBSFUQEFEP-UHFFFAOYSA-N 2 1 316.489 3.196 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931318413 661466227 /nfs/dbraw/zinc/46/62/27/661466227.db2.gz TWIGTCLCPSHMEI-IHPCNDPISA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+]1C[C@@]2(C)C[NH+](C3CC(OCc4ccccc4)C3)C[C@]2(C)C1 ZINC000931313690 661466571 /nfs/dbraw/zinc/46/65/71/661466571.db2.gz FPPLNBVZDJCRLI-GUMHCPJTSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931427034 661475710 /nfs/dbraw/zinc/47/57/10/661475710.db2.gz PMXQEWAEVBBKNB-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931427034 661475713 /nfs/dbraw/zinc/47/57/13/661475713.db2.gz PMXQEWAEVBBKNB-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931427034 661475714 /nfs/dbraw/zinc/47/57/14/661475714.db2.gz PMXQEWAEVBBKNB-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931427034 661475715 /nfs/dbraw/zinc/47/57/15/661475715.db2.gz PMXQEWAEVBBKNB-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP CC[C@@H](OCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccccc1 ZINC000931442098 661476545 /nfs/dbraw/zinc/47/65/45/661476545.db2.gz UNACXXGZSFQVKB-IPMKNSEASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931442098 661476547 /nfs/dbraw/zinc/47/65/47/661476547.db2.gz UNACXXGZSFQVKB-IPMKNSEASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931442098 661476548 /nfs/dbraw/zinc/47/65/48/661476548.db2.gz UNACXXGZSFQVKB-IPMKNSEASA-N 2 1 302.462 3.038 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3cccc(C)c3)CC2)[nH+]c1C ZINC000931748168 661504878 /nfs/dbraw/zinc/50/48/78/661504878.db2.gz JVBUXIYAMPAGQZ-GOSISDBHSA-N 2 1 313.445 3.248 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932189639 661546452 /nfs/dbraw/zinc/54/64/52/661546452.db2.gz CYRHQZOXQSUBKZ-AWEZNQCLSA-N 2 1 316.474 3.016 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932189639 661546453 /nfs/dbraw/zinc/54/64/53/661546453.db2.gz CYRHQZOXQSUBKZ-AWEZNQCLSA-N 2 1 316.474 3.016 20 0 DGADMP Cc1csc(C[C@H]2CC[N@@H+](CCCCn3ccnc3C)C2)n1 ZINC000933130148 661618824 /nfs/dbraw/zinc/61/88/24/661618824.db2.gz PVAKBQURNZDRDK-MRXNPFEDSA-N 2 1 318.490 3.301 20 0 DGADMP Cc1csc(C[C@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000933130148 661618825 /nfs/dbraw/zinc/61/88/25/661618825.db2.gz PVAKBQURNZDRDK-MRXNPFEDSA-N 2 1 318.490 3.301 20 0 DGADMP Cc1csc(C[C@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000933130148 661618826 /nfs/dbraw/zinc/61/88/26/661618826.db2.gz PVAKBQURNZDRDK-MRXNPFEDSA-N 2 1 318.490 3.301 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(Cl)cc2c1OCC2 ZINC000933272809 661627331 /nfs/dbraw/zinc/62/73/31/661627331.db2.gz LQMTVTFVHXQKEO-GFCCVEGCSA-N 2 1 319.836 3.292 20 0 DGADMP C[C@@H](CCSc1ccccc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735346 661654905 /nfs/dbraw/zinc/65/49/05/661654905.db2.gz HNPJDKBYFVWWMI-XYJFISCASA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735346 661654907 /nfs/dbraw/zinc/65/49/07/661654907.db2.gz HNPJDKBYFVWWMI-XYJFISCASA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735346 661654909 /nfs/dbraw/zinc/65/49/09/661654909.db2.gz HNPJDKBYFVWWMI-XYJFISCASA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735346 661654911 /nfs/dbraw/zinc/65/49/11/661654911.db2.gz HNPJDKBYFVWWMI-XYJFISCASA-N 2 1 304.503 3.441 20 0 DGADMP CCC[N@@H+](C[C@@H](O)CC)C1CCN(Cc2ccccc2)CC1 ZINC000934185579 661685414 /nfs/dbraw/zinc/68/54/14/661685414.db2.gz MQTVNFUBICUKNI-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934561309 661715110 /nfs/dbraw/zinc/71/51/10/661715110.db2.gz DIKBDYHXTGXSAC-LSDHHAIUSA-N 2 1 315.465 3.175 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000935761727 661808220 /nfs/dbraw/zinc/80/82/20/661808220.db2.gz VSPWVGRPTVHYPY-MRXNPFEDSA-N 2 1 323.868 3.213 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000935761727 661808222 /nfs/dbraw/zinc/80/82/22/661808222.db2.gz VSPWVGRPTVHYPY-MRXNPFEDSA-N 2 1 323.868 3.213 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340468 662311858 /nfs/dbraw/zinc/31/18/58/662311858.db2.gz FZWMONLTLPVGQL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340468 662311860 /nfs/dbraw/zinc/31/18/60/662311860.db2.gz FZWMONLTLPVGQL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340468 662311863 /nfs/dbraw/zinc/31/18/63/662311863.db2.gz FZWMONLTLPVGQL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340468 662311866 /nfs/dbraw/zinc/31/18/66/662311866.db2.gz FZWMONLTLPVGQL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(Cl)c1 ZINC000247340468 662311869 /nfs/dbraw/zinc/31/18/69/662311869.db2.gz FZWMONLTLPVGQL-IAGOWNOFSA-N 2 1 310.869 3.180 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)c(C)s1 ZINC000383918512 685169808 /nfs/dbraw/zinc/16/98/08/685169808.db2.gz ZGFGPWLWNMCMOW-UHFFFAOYSA-N 2 1 314.252 3.114 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000384958503 685173117 /nfs/dbraw/zinc/17/31/17/685173117.db2.gz NAQTZAVRRNGKJK-FQEVSTJZSA-N 2 1 309.457 3.392 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc3ccccc32)CC1 ZINC000390715552 685204083 /nfs/dbraw/zinc/20/40/83/685204083.db2.gz XZSCIZKQPLTNIO-FQEVSTJZSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc3ccccc32)CC1 ZINC000390715552 685204086 /nfs/dbraw/zinc/20/40/86/685204086.db2.gz XZSCIZKQPLTNIO-FQEVSTJZSA-N 2 1 312.457 3.289 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001576478583 1191822788 /nfs/dbraw/zinc/82/27/88/1191822788.db2.gz DZFPHRRCPYQLHB-AEFFLSMTSA-N 2 1 307.526 3.151 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H]2CCC[NH2+][C@H]21 ZINC001576487488 1191830310 /nfs/dbraw/zinc/83/03/10/1191830310.db2.gz BEMYSRFRJOONQS-CGTJXYLNSA-N 2 1 314.473 3.266 20 0 DGADMP C[C@]1(C[N@@H+](CCC[NH3+])Cc2ccccc2)CC1(Cl)Cl ZINC001576501551 1191830662 /nfs/dbraw/zinc/83/06/62/1191830662.db2.gz WQPCVULGKLMDBV-CQSZACIVSA-N 2 1 301.261 3.421 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC001576591781 1191848286 /nfs/dbraw/zinc/84/82/86/1191848286.db2.gz JZZHGEBHUSXNLU-ZHALLVOQSA-N 2 1 303.494 3.034 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)C1 ZINC001576671316 1191861824 /nfs/dbraw/zinc/86/18/24/1191861824.db2.gz XXCBAOOJYYNZQB-FQBWVUSXSA-N 2 1 308.510 3.028 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001576730979 1191866636 /nfs/dbraw/zinc/86/66/36/1191866636.db2.gz BLRQKNMYVUQXNV-DOMZBBRYSA-N 2 1 300.368 3.208 20 0 DGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001576750970 1191867630 /nfs/dbraw/zinc/86/76/30/1191867630.db2.gz XLPIDJIZXFTTSC-VKSUQKOCSA-N 2 1 302.462 3.273 20 0 DGADMP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](c2ccc(OC)cc2)[C@H](N)C1 ZINC001577043493 1191881596 /nfs/dbraw/zinc/88/15/96/1191881596.db2.gz HPOZTYUJWROOLO-VBNZEHGJSA-N 2 1 312.404 3.103 20 0 DGADMP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@H](N)C1 ZINC001577043493 1191881597 /nfs/dbraw/zinc/88/15/97/1191881597.db2.gz HPOZTYUJWROOLO-VBNZEHGJSA-N 2 1 312.404 3.103 20 0 DGADMP CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC001577734817 1191914391 /nfs/dbraw/zinc/91/43/91/1191914391.db2.gz WXXSTPJHJQYEAY-HNNXBMFYSA-N 2 1 317.260 3.101 20 0 DGADMP CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC001577734817 1191914393 /nfs/dbraw/zinc/91/43/93/1191914393.db2.gz WXXSTPJHJQYEAY-HNNXBMFYSA-N 2 1 317.260 3.101 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001578427072 1191943061 /nfs/dbraw/zinc/94/30/61/1191943061.db2.gz NXFKEMAZYWPDHI-MJGOQNOKSA-N 2 1 301.478 3.107 20 0 DGADMP C[N@H+](CCC[NH2+]C1CC1)Cc1cccc(OC(F)(F)F)c1 ZINC001578469371 1191945035 /nfs/dbraw/zinc/94/50/35/1191945035.db2.gz ZBBFYUPHDRFNLA-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CC1)Cc1cccc(OC(F)(F)F)c1 ZINC001578469371 1191945038 /nfs/dbraw/zinc/94/50/38/1191945038.db2.gz ZBBFYUPHDRFNLA-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP COCC[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001579000731 1191964090 /nfs/dbraw/zinc/96/40/90/1191964090.db2.gz BMSXLTWJFAVNEO-FPOVZHCZSA-N 2 1 324.468 3.192 20 0 DGADMP COCC[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001579000731 1191964093 /nfs/dbraw/zinc/96/40/93/1191964093.db2.gz BMSXLTWJFAVNEO-FPOVZHCZSA-N 2 1 324.468 3.192 20 0 DGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC001579194512 1191968919 /nfs/dbraw/zinc/96/89/19/1191968919.db2.gz QLDBOVWZCOIAGG-GJZGRUSLSA-N 2 1 320.477 3.041 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001579552974 1191979675 /nfs/dbraw/zinc/97/96/75/1191979675.db2.gz SSCUHHWYFKBCMZ-QWHCGFSZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001579548522 1191979686 /nfs/dbraw/zinc/97/96/86/1191979686.db2.gz WJQSWUKZRUQQBW-XLIONFOSSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579605254 1191982018 /nfs/dbraw/zinc/98/20/18/1191982018.db2.gz MIJOCHWXGDJOPP-OAHLLOKOSA-N 2 1 322.880 3.300 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC001579685325 1191986640 /nfs/dbraw/zinc/98/66/40/1191986640.db2.gz KTMXTASKOVQTGO-CVEARBPZSA-N 2 1 314.395 3.387 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC001579785089 1191993277 /nfs/dbraw/zinc/99/32/77/1191993277.db2.gz XYSMXBGQCSRSQZ-GOSISDBHSA-N 2 1 310.441 3.212 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579789796 1191993610 /nfs/dbraw/zinc/99/36/10/1191993610.db2.gz AFFQVRCZKKKMRI-LSTDLKDCSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001579873263 1191997355 /nfs/dbraw/zinc/99/73/55/1191997355.db2.gz HZXWBLNFIKGNFO-UHFFFAOYSA-N 2 1 318.490 3.013 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1-c1ccccc1 ZINC001579877891 1191997844 /nfs/dbraw/zinc/99/78/44/1191997844.db2.gz GPKXHBSYPSECKI-CEXWTWQISA-N 2 1 324.472 3.047 20 0 DGADMP FC(F)(F)c1cscc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001580021529 1192003116 /nfs/dbraw/zinc/00/31/16/1192003116.db2.gz RZGNCUGHLGDUES-VIFPVBQESA-N 2 1 314.323 3.101 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1)C1CCCC1 ZINC001580128392 1192008896 /nfs/dbraw/zinc/00/88/96/1192008896.db2.gz TUIADRVNWSLCBV-QRQLOZEOSA-N 2 1 324.509 3.149 20 0 DGADMP [NH3+][C@@H](C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)CC(F)F ZINC001580133426 1192009207 /nfs/dbraw/zinc/00/92/07/1192009207.db2.gz YGPQIPIXZQZWGO-CYBMUJFWSA-N 2 1 302.796 3.235 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC001580199958 1192012682 /nfs/dbraw/zinc/01/26/82/1192012682.db2.gz OBGJINPAWOANSR-KZNAEPCWSA-N 2 1 322.880 3.243 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c(Br)cccc23)C1 ZINC001580265619 1192018060 /nfs/dbraw/zinc/01/80/60/1192018060.db2.gz NLNMVDOTDFPPHW-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c(Br)cccc23)C1 ZINC001580265619 1192018063 /nfs/dbraw/zinc/01/80/63/1192018063.db2.gz NLNMVDOTDFPPHW-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC3(CCCCCC3)O1)C2 ZINC001580334921 1192021998 /nfs/dbraw/zinc/02/19/98/1192021998.db2.gz INXIWDRPXXGEBP-BZSNNMDCSA-N 2 1 306.494 3.319 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)C1 ZINC001580387386 1192024928 /nfs/dbraw/zinc/02/49/28/1192024928.db2.gz CIHKDJPKLLENBR-NILFDRSVSA-N 2 1 309.251 3.323 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC001580876835 1192043347 /nfs/dbraw/zinc/04/33/47/1192043347.db2.gz WXFNQXKRPRDKPB-OKZBNKHCSA-N 2 1 320.477 3.337 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC[NH2+]2)cc1 ZINC001580892361 1192044477 /nfs/dbraw/zinc/04/44/77/1192044477.db2.gz SFQJJLLCIOSVJM-YRPNKDGESA-N 2 1 314.473 3.275 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCn1cc[nH+]c1C ZINC001661195265 1196578947 /nfs/dbraw/zinc/57/89/47/1196578947.db2.gz OXJWVYXGGAUZMD-UHFFFAOYSA-N 2 1 314.216 3.297 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001620823585 1192190729 /nfs/dbraw/zinc/19/07/29/1192190729.db2.gz AIQBEIAWWRIJKG-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001620823585 1192190732 /nfs/dbraw/zinc/19/07/32/1192190732.db2.gz AIQBEIAWWRIJKG-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001620823585 1192190734 /nfs/dbraw/zinc/19/07/34/1192190734.db2.gz AIQBEIAWWRIJKG-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001594797947 1192648898 /nfs/dbraw/zinc/64/88/98/1192648898.db2.gz WBTKXMHAAOEHNA-UHFFFAOYSA-N 2 1 319.493 3.445 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001691480184 1176643138 /nfs/dbraw/zinc/64/31/38/1176643138.db2.gz UGWYZXVWOIHHJY-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000393944756 1176735718 /nfs/dbraw/zinc/73/57/18/1176735718.db2.gz LEBWRTBZUFAAJL-SFHVURJKSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)CC2 ZINC000378906251 1176750168 /nfs/dbraw/zinc/75/01/68/1176750168.db2.gz FKOYPCAVNSPADH-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP Cc1cnccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000397523468 1177007050 /nfs/dbraw/zinc/00/70/50/1177007050.db2.gz LFFUYOKTGGSOQD-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP C[N@H+]1CCC[C@@H](NCc2cc(Br)ccc2F)CC1 ZINC000086818894 1177545148 /nfs/dbraw/zinc/54/51/48/1177545148.db2.gz AQFFHENGYFQHFQ-CYBMUJFWSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000086818894 1177545163 /nfs/dbraw/zinc/54/51/63/1177545163.db2.gz AQFFHENGYFQHFQ-CYBMUJFWSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000086818894 1177545177 /nfs/dbraw/zinc/54/51/77/1177545177.db2.gz AQFFHENGYFQHFQ-CYBMUJFWSA-N 2 1 315.230 3.162 20 0 DGADMP Cc1ccnc(N)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001331994716 1178332418 /nfs/dbraw/zinc/33/24/18/1178332418.db2.gz PNSICKMNTCSFMA-INIZCTEOSA-N 2 1 324.472 3.287 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001333312086 1178586878 /nfs/dbraw/zinc/58/68/78/1178586878.db2.gz JOSQTWRLCGNXEP-YVWKXTFCSA-N 2 1 316.489 3.271 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]2C1 ZINC001333891058 1178691700 /nfs/dbraw/zinc/69/17/00/1178691700.db2.gz IVWZVSUWRGAQLN-MBOZVWFJSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC001334355251 1178753808 /nfs/dbraw/zinc/75/38/08/1178753808.db2.gz BAXSUFJGYOQNOX-CEXWTWQISA-N 2 1 309.457 3.397 20 0 DGADMP C[C@@H](C[NH+]1CCC([NH2+]C2CCOCC2)CC1)c1ccc(F)cc1 ZINC001334401042 1178759345 /nfs/dbraw/zinc/75/93/45/1178759345.db2.gz BQAPUVCEUKRQRA-HNNXBMFYSA-N 2 1 320.452 3.162 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@@H]2C1 ZINC001335134569 1178858749 /nfs/dbraw/zinc/85/87/49/1178858749.db2.gz TVABLSKBNOBCBR-OFQRWUPVSA-N 2 1 305.491 3.183 20 0 DGADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC001335254860 1178878934 /nfs/dbraw/zinc/87/89/34/1178878934.db2.gz LJNQQAGYJVCHIC-ZCTYVAAUSA-N 2 1 318.436 3.261 20 0 DGADMP Fc1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC001342120190 1179106119 /nfs/dbraw/zinc/10/61/19/1179106119.db2.gz VGKOVBWUDIILQU-HNAYVOBHSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120190 1179106124 /nfs/dbraw/zinc/10/61/24/1179106124.db2.gz VGKOVBWUDIILQU-HNAYVOBHSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC001342120190 1179106128 /nfs/dbraw/zinc/10/61/28/1179106128.db2.gz VGKOVBWUDIILQU-HNAYVOBHSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001342118240 1179106435 /nfs/dbraw/zinc/10/64/35/1179106435.db2.gz JCZXJZHIOPPTFR-HNNXBMFYSA-N 2 1 308.416 3.315 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001342118240 1179106438 /nfs/dbraw/zinc/10/64/38/1179106438.db2.gz JCZXJZHIOPPTFR-HNNXBMFYSA-N 2 1 308.416 3.315 20 0 DGADMP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001342381838 1179135387 /nfs/dbraw/zinc/13/53/87/1179135387.db2.gz XGGPCIQTWPDXRJ-XHDPSFHLSA-N 2 1 311.857 3.104 20 0 DGADMP C[NH+](C)[C@H](C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccccc1 ZINC001343019175 1179225863 /nfs/dbraw/zinc/22/58/63/1179225863.db2.gz KPWUZBCNVJIYEJ-KRWDZBQOSA-N 2 1 311.429 3.122 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343335945 1179258591 /nfs/dbraw/zinc/25/85/91/1179258591.db2.gz ZBHQSHOVSMJOHD-BQFCYCMXSA-N 2 1 302.462 3.166 20 0 DGADMP CCc1ccccc1C(=O)Nc1cnccc1-n1ccnc1C ZINC001343750753 1179326553 /nfs/dbraw/zinc/32/65/53/1179326553.db2.gz FEZAEQNEPDYPFN-UHFFFAOYSA-N 2 1 306.369 3.390 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001345205656 1179543208 /nfs/dbraw/zinc/54/32/08/1179543208.db2.gz WPBQUNRLCLXODK-BPQIPLTHSA-N 2 1 302.462 3.250 20 0 DGADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316067 1193002769 /nfs/dbraw/zinc/00/27/69/1193002769.db2.gz WZUHLEGBCZLUEG-UZLBHIALSA-N 2 1 313.489 3.185 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001354461335 1180801403 /nfs/dbraw/zinc/80/14/03/1180801403.db2.gz WTPXFHBRTWWCMV-IAGOWNOFSA-N 2 1 317.477 3.166 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)c1 ZINC001355372864 1181045548 /nfs/dbraw/zinc/04/55/48/1181045548.db2.gz GSGZYVNYDVYAHH-OKZBNKHCSA-N 2 1 302.462 3.166 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)C[C@@H]2C1 ZINC001355373721 1181047158 /nfs/dbraw/zinc/04/71/58/1181047158.db2.gz QLJGATWYSYHWIN-KWCYVHTRSA-N 2 1 312.379 3.266 20 0 DGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC001356623022 1181224241 /nfs/dbraw/zinc/22/42/41/1181224241.db2.gz WOXIFAHFHCHQQD-QAPCUYQASA-N 2 1 322.880 3.085 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001474576590 1181592150 /nfs/dbraw/zinc/59/21/50/1181592150.db2.gz ZVLJYQFDZXQSQI-QGZVFWFLSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001474576590 1181592158 /nfs/dbraw/zinc/59/21/58/1181592158.db2.gz ZVLJYQFDZXQSQI-QGZVFWFLSA-N 2 1 304.478 3.446 20 0 DGADMP CC[N@H+](CCCNc1[nH+]cnc2[nH]ccc21)C1CCCCC1 ZINC001458472810 1182528276 /nfs/dbraw/zinc/52/82/76/1182528276.db2.gz QTWGVEKISOUUGD-UHFFFAOYSA-N 2 1 301.438 3.366 20 0 DGADMP CC[N@@H+](CCCNc1[nH+]cnc2[nH]ccc21)C1CCCCC1 ZINC001458472810 1182528279 /nfs/dbraw/zinc/52/82/79/1182528279.db2.gz QTWGVEKISOUUGD-UHFFFAOYSA-N 2 1 301.438 3.366 20 0 DGADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC001458544002 1182537892 /nfs/dbraw/zinc/53/78/92/1182537892.db2.gz GBYWYGBPYFRIJI-HNNXBMFYSA-N 2 1 307.319 3.121 20 0 DGADMP C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC001458544002 1182537896 /nfs/dbraw/zinc/53/78/96/1182537896.db2.gz GBYWYGBPYFRIJI-HNNXBMFYSA-N 2 1 307.319 3.121 20 0 DGADMP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC001459930411 1182631727 /nfs/dbraw/zinc/63/17/27/1182631727.db2.gz GDWPCYWKIVFVNW-CVEARBPZSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001459930411 1182631732 /nfs/dbraw/zinc/63/17/32/1182631732.db2.gz GDWPCYWKIVFVNW-CVEARBPZSA-N 2 1 317.477 3.223 20 0 DGADMP CCCN(CC[NH+]1CCCCC1)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001460083928 1182649855 /nfs/dbraw/zinc/64/98/55/1182649855.db2.gz XCGUHUPJLAPVBI-KDURUIRLSA-N 2 1 309.542 3.162 20 0 DGADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC001460307138 1182675523 /nfs/dbraw/zinc/67/55/23/1182675523.db2.gz YZBUOIBMMDEZQU-UHFFFAOYSA-N 2 1 301.459 3.472 20 0 DGADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC001460509815 1182692305 /nfs/dbraw/zinc/69/23/05/1182692305.db2.gz RPWYBCVZVLNHTB-JTDSTZFVSA-N 2 1 317.477 3.033 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC001460509815 1182692307 /nfs/dbraw/zinc/69/23/07/1182692307.db2.gz RPWYBCVZVLNHTB-JTDSTZFVSA-N 2 1 317.477 3.033 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC001460509815 1182692312 /nfs/dbraw/zinc/69/23/12/1182692312.db2.gz RPWYBCVZVLNHTB-JTDSTZFVSA-N 2 1 317.477 3.033 20 0 DGADMP C[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCN1c1cc[nH+]cc1 ZINC001460706618 1182710768 /nfs/dbraw/zinc/71/07/68/1182710768.db2.gz HVTDFLGRVDMIHB-AWEZNQCLSA-N 2 1 309.404 3.418 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC001460803393 1182725263 /nfs/dbraw/zinc/72/52/63/1182725263.db2.gz XPNBXGHZXIZHNR-KUHUBIRLSA-N 2 1 311.404 3.419 20 0 DGADMP C[N@@H+]1C[C@]23C[NH+](CCc4ccccc4F)C[C@@]2(C1)CCCC3 ZINC001460981545 1182751342 /nfs/dbraw/zinc/75/13/42/1182751342.db2.gz XYWMNQWSTTXQJJ-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCc4ccccc4F)C[C@@]2(C1)CCCC3 ZINC001460981545 1182751345 /nfs/dbraw/zinc/75/13/45/1182751345.db2.gz XYWMNQWSTTXQJJ-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCc4ccccc4F)C[C@@]2(C1)CCCC3 ZINC001460981545 1182751349 /nfs/dbraw/zinc/75/13/49/1182751349.db2.gz XYWMNQWSTTXQJJ-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCc4ccccc4F)C[C@@]2(C1)CCCC3 ZINC001460981545 1182751354 /nfs/dbraw/zinc/75/13/54/1182751354.db2.gz XYWMNQWSTTXQJJ-KDURUIRLSA-N 2 1 302.437 3.176 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC001461004003 1182754470 /nfs/dbraw/zinc/75/44/70/1182754470.db2.gz DLBJQPHSMWMKBW-UHFFFAOYSA-N 2 1 317.408 3.044 20 0 DGADMP COCC[N@H+](C)CCC[NH2+]C/C=C/c1cc(C)c(C)cc1C ZINC001461053709 1182761848 /nfs/dbraw/zinc/76/18/48/1182761848.db2.gz CPLDGWYDQMUYIG-SOFGYWHQSA-N 2 1 304.478 3.183 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]C/C=C/c1cc(C)c(C)cc1C ZINC001461053709 1182761851 /nfs/dbraw/zinc/76/18/51/1182761851.db2.gz CPLDGWYDQMUYIG-SOFGYWHQSA-N 2 1 304.478 3.183 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnn3ccccc23)C1 ZINC001461049217 1182761941 /nfs/dbraw/zinc/76/19/41/1182761941.db2.gz DKNPWBRAIFEYEO-CALCHBBNSA-N 2 1 314.477 3.182 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC001461122871 1182770858 /nfs/dbraw/zinc/77/08/58/1182770858.db2.gz SXXVQGDFUOOKGZ-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP CC[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC001461167612 1182776912 /nfs/dbraw/zinc/77/69/12/1182776912.db2.gz SLIXNIZCFVHRII-GOSISDBHSA-N 2 1 316.489 3.415 20 0 DGADMP CCCn1nc(C)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1C ZINC001461431573 1182812099 /nfs/dbraw/zinc/81/20/99/1182812099.db2.gz ORIMTVHCYGJBAR-OAHLLOKOSA-N 2 1 306.498 3.264 20 0 DGADMP CCOc1c(Cl)cccc1CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001461827260 1182863400 /nfs/dbraw/zinc/86/34/00/1182863400.db2.gz GMRPYRDBHXPSOJ-IJEWVQPXSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001461827260 1182863410 /nfs/dbraw/zinc/86/34/10/1182863410.db2.gz GMRPYRDBHXPSOJ-IJEWVQPXSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001461827260 1182863419 /nfs/dbraw/zinc/86/34/19/1182863419.db2.gz GMRPYRDBHXPSOJ-IJEWVQPXSA-N 2 1 308.853 3.169 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001461833795 1182864991 /nfs/dbraw/zinc/86/49/91/1182864991.db2.gz CNFRAVDDVKYPHP-RCCFBDPRSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCCO1 ZINC001462173777 1182917817 /nfs/dbraw/zinc/91/78/17/1182917817.db2.gz BOVVOLQAPMWKPV-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@]1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCCO1 ZINC001462173777 1182917822 /nfs/dbraw/zinc/91/78/22/1182917822.db2.gz BOVVOLQAPMWKPV-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@]1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCCCO1 ZINC001462173777 1182917827 /nfs/dbraw/zinc/91/78/27/1182917827.db2.gz BOVVOLQAPMWKPV-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462308877 1182936424 /nfs/dbraw/zinc/93/64/24/1182936424.db2.gz XVURGEOUZLIMLB-DODZYUBVSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462308877 1182936427 /nfs/dbraw/zinc/93/64/27/1182936427.db2.gz XVURGEOUZLIMLB-DODZYUBVSA-N 2 1 324.509 3.208 20 0 DGADMP CCC1(C)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001473135395 1183719961 /nfs/dbraw/zinc/71/99/61/1183719961.db2.gz QTLHSDNCMFUILM-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(C)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001473135395 1183719963 /nfs/dbraw/zinc/71/99/63/1183719963.db2.gz QTLHSDNCMFUILM-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210029 1183730818 /nfs/dbraw/zinc/73/08/18/1183730818.db2.gz BEHXEHJZWOPCRF-GOEBONIOSA-N 2 1 313.445 3.245 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210029 1183730821 /nfs/dbraw/zinc/73/08/21/1183730821.db2.gz BEHXEHJZWOPCRF-GOEBONIOSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210029 1183730824 /nfs/dbraw/zinc/73/08/24/1183730824.db2.gz BEHXEHJZWOPCRF-GOEBONIOSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210029 1183730826 /nfs/dbraw/zinc/73/08/26/1183730826.db2.gz BEHXEHJZWOPCRF-GOEBONIOSA-N 2 1 313.445 3.245 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC23CCOCC3)[C@H](C)C1 ZINC001473228515 1183733968 /nfs/dbraw/zinc/73/39/68/1183733968.db2.gz SZDNTXYHWWSGBY-SQNIBIBYSA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC23CCOCC3)[C@H](C)C1 ZINC001473228515 1183733969 /nfs/dbraw/zinc/73/39/69/1183733969.db2.gz SZDNTXYHWWSGBY-SQNIBIBYSA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC23CCOCC3)[C@H](C)C1 ZINC001473228515 1183733970 /nfs/dbraw/zinc/73/39/70/1183733970.db2.gz SZDNTXYHWWSGBY-SQNIBIBYSA-N 2 1 308.510 3.245 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261739 1183737602 /nfs/dbraw/zinc/73/76/02/1183737602.db2.gz MYJDYINRQXJIHP-IBGZPJMESA-N 2 1 322.468 3.271 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261739 1183737606 /nfs/dbraw/zinc/73/76/06/1183737606.db2.gz MYJDYINRQXJIHP-IBGZPJMESA-N 2 1 322.468 3.271 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261739 1183737609 /nfs/dbraw/zinc/73/76/09/1183737609.db2.gz MYJDYINRQXJIHP-IBGZPJMESA-N 2 1 322.468 3.271 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261739 1183737612 /nfs/dbraw/zinc/73/76/12/1183737612.db2.gz MYJDYINRQXJIHP-IBGZPJMESA-N 2 1 322.468 3.271 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473300162 1183740553 /nfs/dbraw/zinc/74/05/53/1183740553.db2.gz XPFIZIIMHGUECY-UXHICEINSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473300162 1183740557 /nfs/dbraw/zinc/74/05/57/1183740557.db2.gz XPFIZIIMHGUECY-UXHICEINSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473300162 1183740560 /nfs/dbraw/zinc/74/05/60/1183740560.db2.gz XPFIZIIMHGUECY-UXHICEINSA-N 2 1 318.505 3.176 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC001473333390 1183745438 /nfs/dbraw/zinc/74/54/38/1183745438.db2.gz ZQZIPVRWNCDHAZ-IEBWSBKVSA-N 2 1 306.494 3.373 20 0 DGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC001473333390 1183745441 /nfs/dbraw/zinc/74/54/41/1183745441.db2.gz ZQZIPVRWNCDHAZ-IEBWSBKVSA-N 2 1 306.494 3.373 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2nsnc21)C1CCCCC1 ZINC001473910469 1183825689 /nfs/dbraw/zinc/82/56/89/1183825689.db2.gz PYNUYVGBYPRUTM-UHFFFAOYSA-N 2 1 318.490 3.436 20 0 DGADMP c1csc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001473915632 1183827388 /nfs/dbraw/zinc/82/73/88/1183827388.db2.gz DOZQTKUZLVAOCQ-UHFFFAOYSA-N 2 1 301.459 3.419 20 0 DGADMP CC(C)[C@H](CNCc1c[nH+]ccc1N(C)C)[NH+]1CCCCCC1 ZINC001473925024 1183829697 /nfs/dbraw/zinc/82/96/97/1183829697.db2.gz CGHCDVVZFDEUGI-IBGZPJMESA-N 2 1 318.509 3.138 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2O1 ZINC001473935374 1183833837 /nfs/dbraw/zinc/83/38/37/1183833837.db2.gz CFUFFJQAFCNEDH-BBWFWOEESA-N 2 1 316.489 3.468 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC001474040683 1183856224 /nfs/dbraw/zinc/85/62/24/1183856224.db2.gz DNMIJQKQXHZYCJ-UHFFFAOYSA-N 2 1 304.478 3.282 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001474174490 1183877844 /nfs/dbraw/zinc/87/78/44/1183877844.db2.gz RDVUOQIPNAIPDA-WMZOPIPTSA-N 2 1 316.489 3.264 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc(C)c1OC(F)F ZINC001474301098 1183899749 /nfs/dbraw/zinc/89/97/49/1183899749.db2.gz FAABNXZUJLYYJM-BZUAXINKSA-N 2 1 324.415 3.335 20 0 DGADMP C[C@H](Cc1ccsc1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC001474344922 1183907123 /nfs/dbraw/zinc/90/71/23/1183907123.db2.gz XLAFWQMCELQZMF-CQSZACIVSA-N 2 1 312.442 3.392 20 0 DGADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001474479998 1183927804 /nfs/dbraw/zinc/92/78/04/1183927804.db2.gz NBZNQZGXOCAPGU-RMXPPQQLSA-N 2 1 322.493 3.105 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC001474546700 1183938553 /nfs/dbraw/zinc/93/85/53/1183938553.db2.gz POQUHQHSVYGWCD-SFHVURJKSA-N 2 1 306.425 3.142 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001474557312 1183939248 /nfs/dbraw/zinc/93/92/48/1183939248.db2.gz QYYHNAAEJMUMMR-ZWKOTPCHSA-N 2 1 303.494 3.223 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001474557312 1183939251 /nfs/dbraw/zinc/93/92/51/1183939251.db2.gz QYYHNAAEJMUMMR-ZWKOTPCHSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001474560400 1183940847 /nfs/dbraw/zinc/94/08/47/1183940847.db2.gz REXXMMBMMGNNGP-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001474560400 1183940851 /nfs/dbraw/zinc/94/08/51/1183940851.db2.gz REXXMMBMMGNNGP-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001474560400 1183940856 /nfs/dbraw/zinc/94/08/56/1183940856.db2.gz REXXMMBMMGNNGP-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC001474705468 1183965428 /nfs/dbraw/zinc/96/54/28/1183965428.db2.gz MSOMGFKIEAJOSF-CYBMUJFWSA-N 2 1 308.363 3.085 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC001615988255 1193531634 /nfs/dbraw/zinc/53/16/34/1193531634.db2.gz AHCKNKLJVRGVPG-MISYRCLQSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988255 1193531636 /nfs/dbraw/zinc/53/16/36/1193531636.db2.gz AHCKNKLJVRGVPG-MISYRCLQSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988255 1193531641 /nfs/dbraw/zinc/53/16/41/1193531641.db2.gz AHCKNKLJVRGVPG-MISYRCLQSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001615988255 1193531643 /nfs/dbraw/zinc/53/16/43/1193531643.db2.gz AHCKNKLJVRGVPG-MISYRCLQSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001615988255 1193531647 /nfs/dbraw/zinc/53/16/47/1193531647.db2.gz AHCKNKLJVRGVPG-MISYRCLQSA-N 2 1 318.505 3.380 20 0 DGADMP COCC1CCC([NH2+]C[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001549034131 1188487982 /nfs/dbraw/zinc/48/79/82/1188487982.db2.gz JPCUVUHNRQVEHB-XUUQEUKMSA-N 2 1 316.489 3.127 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC001549087736 1188493313 /nfs/dbraw/zinc/49/33/13/1188493313.db2.gz YFWVDURQFKWLRN-VQTJNVASSA-N 2 1 307.441 3.309 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117167 1188497103 /nfs/dbraw/zinc/49/71/03/1188497103.db2.gz QLXKVULINCJLHR-QFBILLFUSA-N 2 1 311.429 3.211 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117167 1188497105 /nfs/dbraw/zinc/49/71/05/1188497105.db2.gz QLXKVULINCJLHR-QFBILLFUSA-N 2 1 311.429 3.211 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC001549118118 1188497212 /nfs/dbraw/zinc/49/72/12/1188497212.db2.gz VUCZUBNASSOAAW-FXAWDEMLSA-N 2 1 323.440 3.435 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549117164 1188497247 /nfs/dbraw/zinc/49/72/47/1188497247.db2.gz QLXKVULINCJLHR-APWZRJJASA-N 2 1 311.429 3.211 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549117164 1188497249 /nfs/dbraw/zinc/49/72/49/1188497249.db2.gz QLXKVULINCJLHR-APWZRJJASA-N 2 1 311.429 3.211 20 0 DGADMP CCOC1CCC([NH2+]C[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001549189145 1188502881 /nfs/dbraw/zinc/50/28/81/1188502881.db2.gz VLJHVJILIHFKNP-DCCYDQLOSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550351217 1188608987 /nfs/dbraw/zinc/60/89/87/1188608987.db2.gz JIRWOEYTQGTMOU-FZMWSMFESA-N 2 1 322.518 3.187 20 0 DGADMP CC[C@H](C)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC001550350638 1188609323 /nfs/dbraw/zinc/60/93/23/1188609323.db2.gz FMJFOXAOWMCUHY-BEZVJNGGSA-N 2 1 322.537 3.271 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3sccc3C)C2)[C@H]1C(C)C ZINC001550423847 1188614787 /nfs/dbraw/zinc/61/47/87/1188614787.db2.gz SSPFCFSKCATATA-ONIAQPFYSA-N 2 1 322.518 3.016 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3ccsc3C)C2)[C@@H]1C(C)C ZINC001550422900 1188615219 /nfs/dbraw/zinc/61/52/19/1188615219.db2.gz FAVGIOOSEQOHNH-XSLAGTTESA-N 2 1 322.518 3.016 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543233 1188622434 /nfs/dbraw/zinc/62/24/34/1188622434.db2.gz JTWRMFJSJYUOPU-NVXWUHKLSA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550543233 1188622436 /nfs/dbraw/zinc/62/24/36/1188622436.db2.gz JTWRMFJSJYUOPU-NVXWUHKLSA-N 2 1 301.478 3.151 20 0 DGADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550543233 1188622444 /nfs/dbraw/zinc/62/24/44/1188622444.db2.gz JTWRMFJSJYUOPU-NVXWUHKLSA-N 2 1 301.478 3.151 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550543652 1188622584 /nfs/dbraw/zinc/62/25/84/1188622584.db2.gz UGNKLNOAKKCQHD-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543652 1188622586 /nfs/dbraw/zinc/62/25/86/1188622586.db2.gz UGNKLNOAKKCQHD-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543652 1188622588 /nfs/dbraw/zinc/62/25/88/1188622588.db2.gz UGNKLNOAKKCQHD-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@H]32)CCC[NH2+]C1 ZINC001550705422 1188643332 /nfs/dbraw/zinc/64/33/32/1188643332.db2.gz WOSOGMZYFDPFDH-WCIQWLHISA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC001550702624 1188643749 /nfs/dbraw/zinc/64/37/49/1188643749.db2.gz NYDJVOCWPWECKO-HUUCEWRRSA-N 2 1 316.367 3.206 20 0 DGADMP FC1(F)[C@@H](c2ccccc2)[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001550943162 1188672661 /nfs/dbraw/zinc/67/26/61/1188672661.db2.gz BHWQLWMRMAPENM-PMPSAXMXSA-N 2 1 306.400 3.300 20 0 DGADMP FC1(F)[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)[C@H]1c1ccccc1 ZINC001550943158 1188673152 /nfs/dbraw/zinc/67/31/52/1188673152.db2.gz BHWQLWMRMAPENM-BZUAXINKSA-N 2 1 306.400 3.300 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC001551009697 1188682501 /nfs/dbraw/zinc/68/25/01/1188682501.db2.gz XHUNKCSBWHBLDZ-FUMNGEBKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC001551009697 1188682503 /nfs/dbraw/zinc/68/25/03/1188682503.db2.gz XHUNKCSBWHBLDZ-FUMNGEBKSA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@@]2(C)C1 ZINC001551009697 1188682505 /nfs/dbraw/zinc/68/25/05/1188682505.db2.gz XHUNKCSBWHBLDZ-FUMNGEBKSA-N 2 1 314.473 3.180 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(F)cc1C ZINC001551261667 1188722903 /nfs/dbraw/zinc/72/29/03/1188722903.db2.gz OUNSYURSPGFOPA-ZOBUZTSGSA-N 2 1 320.452 3.305 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)o3)C[C@@H]2C1 ZINC001551280807 1188724802 /nfs/dbraw/zinc/72/48/02/1188724802.db2.gz NNNVPZNUSKNYJQ-YESZJQIVSA-N 2 1 317.477 3.042 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001551286106 1188725429 /nfs/dbraw/zinc/72/54/29/1188725429.db2.gz ZSZFYXCKZJRXRV-GBESFXJTSA-N 2 1 309.457 3.397 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCC(O)CC1 ZINC001552061300 1188813535 /nfs/dbraw/zinc/81/35/35/1188813535.db2.gz VZIQYGWPABUNQN-UHFFFAOYSA-N 2 1 316.489 3.408 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@@H]2CCOC[C@H]2C1 ZINC001552169242 1188822084 /nfs/dbraw/zinc/82/20/84/1188822084.db2.gz GGWYUWWMDQOLPJ-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001552186614 1188822714 /nfs/dbraw/zinc/82/27/14/1188822714.db2.gz DESNTZSXMAGCQS-OALUTQOASA-N 2 1 311.429 3.020 20 0 DGADMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001552186615 1188823034 /nfs/dbraw/zinc/82/30/34/1188823034.db2.gz DESNTZSXMAGCQS-RBUKOAKNSA-N 2 1 311.429 3.020 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[C@@H]1O ZINC001552286538 1188830286 /nfs/dbraw/zinc/83/02/86/1188830286.db2.gz UKFJAATWKXVDCB-MOPGFXCFSA-N 2 1 302.462 3.018 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@@H]2CCC[NH2+][C@H]21 ZINC001553023497 1188890442 /nfs/dbraw/zinc/89/04/42/1188890442.db2.gz QUEVSGFZFYOCIZ-DJIMGWMZSA-N 2 1 324.415 3.197 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001553864729 1188952635 /nfs/dbraw/zinc/95/26/35/1188952635.db2.gz WPPLGGGSLBWFHA-INIZCTEOSA-N 2 1 324.403 3.487 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001553864481 1188952652 /nfs/dbraw/zinc/95/26/52/1188952652.db2.gz FFBMAVXTWMRREC-MRXNPFEDSA-N 2 1 308.429 3.291 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H]2CC(C)(C)CO2)CC1 ZINC001560069708 1189275324 /nfs/dbraw/zinc/27/53/24/1189275324.db2.gz ZCWSBRHDNHCMRQ-ROUUACIJSA-N 2 1 308.510 3.388 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001560068747 1189275373 /nfs/dbraw/zinc/27/53/73/1189275373.db2.gz HCAQOSLLPGYORY-OTWHNJEPSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1c(F)cccc1F ZINC001560155570 1189285554 /nfs/dbraw/zinc/28/55/54/1189285554.db2.gz OMOUFCOFIQMWLR-CQSZACIVSA-N 2 1 317.383 3.113 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1c(F)cccc1F ZINC001560155570 1189285558 /nfs/dbraw/zinc/28/55/58/1189285558.db2.gz OMOUFCOFIQMWLR-CQSZACIVSA-N 2 1 317.383 3.113 20 0 DGADMP CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001560222223 1189293581 /nfs/dbraw/zinc/29/35/81/1189293581.db2.gz WJVMVCOKHAGRKN-RTBURBONSA-N 2 1 302.462 3.282 20 0 DGADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001560222222 1189294188 /nfs/dbraw/zinc/29/41/88/1189294188.db2.gz WJVMVCOKHAGRKN-RBUKOAKNSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@H]1CCC[C@@H](C[NH2+]CCCCN2CC[NH+](CC)CC2)C1 ZINC001560264800 1189302217 /nfs/dbraw/zinc/30/22/17/1189302217.db2.gz OYWCVJXZUPXUPA-RBUKOAKNSA-N 2 1 309.542 3.210 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CCCCN2CC[NH+](CC)CC2)C1 ZINC001560264801 1189302781 /nfs/dbraw/zinc/30/27/81/1189302781.db2.gz OYWCVJXZUPXUPA-RTBURBONSA-N 2 1 309.542 3.210 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC001560282774 1189305016 /nfs/dbraw/zinc/30/50/16/1189305016.db2.gz DZODFZHGFQNWGF-QGZVFWFLSA-N 2 1 303.494 3.492 20 0 DGADMP COCC[NH+]1CCC([NH2+]C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC001560292906 1189307563 /nfs/dbraw/zinc/30/75/63/1189307563.db2.gz DBIUXVLPOFIRGT-AATRIKPKSA-N 2 1 316.489 3.325 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001560312915 1189309137 /nfs/dbraw/zinc/30/91/37/1189309137.db2.gz YIIQNQXKWKXMCT-QGZVFWFLSA-N 2 1 315.486 3.106 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001560312915 1189309141 /nfs/dbraw/zinc/30/91/41/1189309141.db2.gz YIIQNQXKWKXMCT-QGZVFWFLSA-N 2 1 315.486 3.106 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC001560436331 1189328042 /nfs/dbraw/zinc/32/80/42/1189328042.db2.gz BLFYNQPTIJZDFE-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001560438246 1189329716 /nfs/dbraw/zinc/32/97/16/1189329716.db2.gz PHNZCRKNUYFIIJ-GOSISDBHSA-N 2 1 318.505 3.476 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCCC2)CC1(C)C ZINC001560562347 1189340712 /nfs/dbraw/zinc/34/07/12/1189340712.db2.gz SPJOHGMYDRTOOC-FUHWJXTLSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1(C)C ZINC001560562347 1189340727 /nfs/dbraw/zinc/34/07/27/1189340727.db2.gz SPJOHGMYDRTOOC-FUHWJXTLSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1(C)C ZINC001560562347 1189340737 /nfs/dbraw/zinc/34/07/37/1189340737.db2.gz SPJOHGMYDRTOOC-FUHWJXTLSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CCN(c2ccc(NCc3ccco3)c3c[nH+]ccc32)CC1 ZINC001560620512 1189350411 /nfs/dbraw/zinc/35/04/11/1189350411.db2.gz ACMFMOYHIFPJRT-UHFFFAOYSA-N 2 1 322.412 3.192 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001560665617 1189356335 /nfs/dbraw/zinc/35/63/35/1189356335.db2.gz DSTDUGGZWJQDTE-SFHVURJKSA-N 2 1 324.896 3.315 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC001560956313 1189410374 /nfs/dbraw/zinc/41/03/74/1189410374.db2.gz TXPYVKKZXFELPX-QGZVFWFLSA-N 2 1 320.452 3.356 20 0 DGADMP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001566534124 1189794188 /nfs/dbraw/zinc/79/41/88/1189794188.db2.gz IXELRZNJNNRQEZ-JKCVZHOFSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001567549986 1190216392 /nfs/dbraw/zinc/21/63/92/1190216392.db2.gz XQNUQDJKUJXHPC-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001570374265 1190846826 /nfs/dbraw/zinc/84/68/26/1190846826.db2.gz MARGIHLPJMBQJB-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570667404 1190913930 /nfs/dbraw/zinc/91/39/30/1190913930.db2.gz HHKNOUUZBDULJU-BQYQJAHWSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001575131679 1191467753 /nfs/dbraw/zinc/46/77/53/1191467753.db2.gz BCQXNZSFQDDJEP-MQVJKMGUSA-N 2 1 324.509 3.207 20 0 DGADMP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC001575423490 1191481416 /nfs/dbraw/zinc/48/14/16/1191481416.db2.gz VIKREUFYNWHZNW-JTQLQIEISA-N 2 1 310.310 3.304 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC001575699617 1191504231 /nfs/dbraw/zinc/50/42/31/1191504231.db2.gz HWWHVVYAJNHYNJ-MSOLQXFVSA-N 2 1 301.478 3.029 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001575740960 1191505762 /nfs/dbraw/zinc/50/57/62/1191505762.db2.gz KLCIEIUGNMDJCM-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001576117396 1191531109 /nfs/dbraw/zinc/53/11/09/1191531109.db2.gz NYKUXYHMUNEQMB-UEKVPHQBSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001576117396 1191531110 /nfs/dbraw/zinc/53/11/10/1191531110.db2.gz NYKUXYHMUNEQMB-UEKVPHQBSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117474 1191531482 /nfs/dbraw/zinc/53/14/82/1191531482.db2.gz PTKQRDFEUSXWTA-XLIONFOSSA-N 3 1 315.505 3.232 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001576167366 1191536367 /nfs/dbraw/zinc/53/63/67/1191536367.db2.gz DRRFIMTUQSKQQA-ACJLOTCBSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001576167366 1191536373 /nfs/dbraw/zinc/53/63/73/1191536373.db2.gz DRRFIMTUQSKQQA-ACJLOTCBSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH3+])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251124 1191547788 /nfs/dbraw/zinc/54/77/88/1191547788.db2.gz JRTMOTSPLNQFOU-UWJYYQICSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1cccc(C[NH3+])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001576251124 1191547789 /nfs/dbraw/zinc/54/77/89/1191547789.db2.gz JRTMOTSPLNQFOU-UWJYYQICSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1cccc(C[NH3+])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251124 1191547790 /nfs/dbraw/zinc/54/77/90/1191547790.db2.gz JRTMOTSPLNQFOU-UWJYYQICSA-N 2 1 323.484 3.146 20 0 DGADMP CCc1ccc(C[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC)cc1 ZINC001618767904 1193750480 /nfs/dbraw/zinc/75/04/80/1193750480.db2.gz PPQJAEUZTUOYBU-IBGZPJMESA-N 2 1 306.494 3.020 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)CC)cc1 ZINC001618767904 1193750475 /nfs/dbraw/zinc/75/04/75/1193750475.db2.gz PPQJAEUZTUOYBU-IBGZPJMESA-N 2 1 306.494 3.020 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)CC)cc1 ZINC001618767904 1193750477 /nfs/dbraw/zinc/75/04/77/1193750477.db2.gz PPQJAEUZTUOYBU-IBGZPJMESA-N 2 1 306.494 3.020 20 0 DGADMP CCc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC)cc1 ZINC001618767904 1193750479 /nfs/dbraw/zinc/75/04/79/1193750479.db2.gz PPQJAEUZTUOYBU-IBGZPJMESA-N 2 1 306.494 3.020 20 0 DGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC001619463078 1193758756 /nfs/dbraw/zinc/75/87/56/1193758756.db2.gz QBSUCDMUPSLODV-OTWHNJEPSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCOc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001620471733 1193771341 /nfs/dbraw/zinc/77/13/41/1193771341.db2.gz YCGLYUZNJPWCAD-HDICACEKSA-N 2 1 322.880 3.383 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](CCCOc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001620471733 1193771343 /nfs/dbraw/zinc/77/13/43/1193771343.db2.gz YCGLYUZNJPWCAD-HDICACEKSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](CCCOc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001620471733 1193771346 /nfs/dbraw/zinc/77/13/46/1193771346.db2.gz YCGLYUZNJPWCAD-HDICACEKSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCOc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001620471733 1193771349 /nfs/dbraw/zinc/77/13/49/1193771349.db2.gz YCGLYUZNJPWCAD-HDICACEKSA-N 2 1 322.880 3.383 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC001620717161 1193794707 /nfs/dbraw/zinc/79/47/07/1193794707.db2.gz QFQNEUPRVYKUCJ-UHFFFAOYSA-N 2 1 304.413 3.036 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC001620717161 1193794712 /nfs/dbraw/zinc/79/47/12/1193794712.db2.gz QFQNEUPRVYKUCJ-UHFFFAOYSA-N 2 1 304.413 3.036 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1OCC(F)F)C[NH+]1CCCC1 ZINC001620728555 1193795389 /nfs/dbraw/zinc/79/53/89/1193795389.db2.gz XZYUHHPXMUTIMM-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP CCCC(CCC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001621245474 1193821536 /nfs/dbraw/zinc/82/15/36/1193821536.db2.gz PSMZEXLZIXIRLU-IBGZPJMESA-N 2 1 304.478 3.312 20 0 DGADMP CCCCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001621245787 1193822791 /nfs/dbraw/zinc/82/27/91/1193822791.db2.gz XOEVSPYSHQFPQV-QFBILLFUSA-N 2 1 304.478 3.312 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001621287989 1193827211 /nfs/dbraw/zinc/82/72/11/1193827211.db2.gz SPHZIIKXVIUJNO-UHFFFAOYSA-N 2 1 301.478 3.345 20 0 DGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001621288434 1193827718 /nfs/dbraw/zinc/82/77/18/1193827718.db2.gz IDMOQKJFBGGQDL-KRWDZBQOSA-N 2 1 304.482 3.162 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001621351477 1193831920 /nfs/dbraw/zinc/83/19/20/1193831920.db2.gz OHFYGCYMSJUPOW-SFHVURJKSA-N 2 1 322.880 3.445 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2c(n1)CCCC2 ZINC001621356799 1193832701 /nfs/dbraw/zinc/83/27/01/1193832701.db2.gz KKYGLRMLPJRRPM-FQEVSTJZSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c2c(n1)CCCC2 ZINC001621356799 1193832706 /nfs/dbraw/zinc/83/27/06/1193832706.db2.gz KKYGLRMLPJRRPM-FQEVSTJZSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2c(n1)CCCC2 ZINC001621356799 1193832711 /nfs/dbraw/zinc/83/27/11/1193832711.db2.gz KKYGLRMLPJRRPM-FQEVSTJZSA-N 2 1 313.489 3.187 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2c(n1)CCCC2 ZINC001621356799 1193832716 /nfs/dbraw/zinc/83/27/16/1193832716.db2.gz KKYGLRMLPJRRPM-FQEVSTJZSA-N 2 1 313.489 3.187 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001621368973 1193833768 /nfs/dbraw/zinc/83/37/68/1193833768.db2.gz YEALQRVUQAUXSH-HOTGVXAUSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001621368973 1193833772 /nfs/dbraw/zinc/83/37/72/1193833772.db2.gz YEALQRVUQAUXSH-HOTGVXAUSA-N 2 1 320.477 3.446 20 0 DGADMP COc1cccc(C2CC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001621384636 1193836045 /nfs/dbraw/zinc/83/60/45/1193836045.db2.gz VGDARZTXLGZHEZ-ZLPCBKJTSA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@H]2C1 ZINC001621564182 1193859472 /nfs/dbraw/zinc/85/94/72/1193859472.db2.gz XAKDVGUXNZASPX-ZHALLVOQSA-N 2 1 324.472 3.034 20 0 DGADMP Cn1cc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C2CCCC2)n1 ZINC001621570606 1193860566 /nfs/dbraw/zinc/86/05/66/1193860566.db2.gz XXNQJKRABOFGMG-UHFFFAOYSA-N 2 1 318.509 3.430 20 0 DGADMP Cn1cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C2CCCC2)n1 ZINC001621570606 1193860572 /nfs/dbraw/zinc/86/05/72/1193860572.db2.gz XXNQJKRABOFGMG-UHFFFAOYSA-N 2 1 318.509 3.430 20 0 DGADMP c1ccn(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC000031995310 1193893962 /nfs/dbraw/zinc/89/39/62/1193893962.db2.gz MWNNHHBTUMDOJZ-HXUWFJFHSA-N 2 1 309.457 3.443 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+](C)C2CCCC2)C1 ZINC001649210136 1194102343 /nfs/dbraw/zinc/10/23/43/1194102343.db2.gz KKGRFKIWJKKWPE-PKOBYXMFSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+](C)C2CCCC2)C1 ZINC001649210136 1194102344 /nfs/dbraw/zinc/10/23/44/1194102344.db2.gz KKGRFKIWJKKWPE-PKOBYXMFSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC001649210136 1194102349 /nfs/dbraw/zinc/10/23/49/1194102349.db2.gz KKGRFKIWJKKWPE-PKOBYXMFSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001630568697 1194291897 /nfs/dbraw/zinc/29/18/97/1194291897.db2.gz KIJGXCCJIXQTKR-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001642954649 1194956520 /nfs/dbraw/zinc/95/65/20/1194956520.db2.gz GVSJOLUKRHWIET-GFCCVEGCSA-N 2 1 313.367 3.341 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001642954649 1194956523 /nfs/dbraw/zinc/95/65/23/1194956523.db2.gz GVSJOLUKRHWIET-GFCCVEGCSA-N 2 1 313.367 3.341 20 0 DGADMP C[C@@H]1c2ccccc2CN1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001643948084 1195066177 /nfs/dbraw/zinc/06/61/77/1195066177.db2.gz FWQMELJJYNQSAG-DYESRHJHSA-N 2 1 322.452 3.200 20 0 DGADMP C[C@@H]1c2ccccc2C[N@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001643948084 1195066182 /nfs/dbraw/zinc/06/61/82/1195066182.db2.gz FWQMELJJYNQSAG-DYESRHJHSA-N 2 1 322.452 3.200 20 0 DGADMP C[C@@H]1c2ccccc2C[N@@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001643948084 1195066187 /nfs/dbraw/zinc/06/61/87/1195066187.db2.gz FWQMELJJYNQSAG-DYESRHJHSA-N 2 1 322.452 3.200 20 0 DGADMP CCCOc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000060816780 1195157945 /nfs/dbraw/zinc/15/79/45/1195157945.db2.gz QUSSKTCEDODDDS-UHFFFAOYSA-N 2 1 308.466 3.161 20 0 DGADMP CO[C@H](C)C[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001645524121 1195191338 /nfs/dbraw/zinc/19/13/38/1195191338.db2.gz BOSAMSAQKZQXRV-GOSISDBHSA-N 2 1 318.505 3.298 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001650630367 1195367409 /nfs/dbraw/zinc/36/74/09/1195367409.db2.gz MZLDOTBPYMUQSW-KURKYZTESA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001650630367 1195367415 /nfs/dbraw/zinc/36/74/15/1195367415.db2.gz MZLDOTBPYMUQSW-KURKYZTESA-N 2 1 308.510 3.434 20 0 DGADMP Fc1ccc(OC(F)F)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC001651194021 1195425590 /nfs/dbraw/zinc/42/55/90/1195425590.db2.gz HAJDQUAPMKVKLJ-UHFFFAOYSA-N 2 1 321.302 3.365 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](C)CC ZINC001651226814 1195429105 /nfs/dbraw/zinc/42/91/05/1195429105.db2.gz CSPOKQPLOKZKGG-QXAKKESOSA-N 2 1 304.478 3.159 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](C)CC ZINC001651226814 1195429107 /nfs/dbraw/zinc/42/91/07/1195429107.db2.gz CSPOKQPLOKZKGG-QXAKKESOSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706013 1195500404 /nfs/dbraw/zinc/50/04/04/1195500404.db2.gz HACHEPQDARHUGM-ZFWWWQNUSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706013 1195500407 /nfs/dbraw/zinc/50/04/07/1195500407.db2.gz HACHEPQDARHUGM-ZFWWWQNUSA-N 2 1 307.457 3.415 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001651838227 1195514604 /nfs/dbraw/zinc/51/46/04/1195514604.db2.gz GGEIAXOIPFXWQP-LMMKCTJWSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001651838227 1195514608 /nfs/dbraw/zinc/51/46/08/1195514608.db2.gz GGEIAXOIPFXWQP-LMMKCTJWSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC001652114426 1195548773 /nfs/dbraw/zinc/54/87/73/1195548773.db2.gz VMXKTMPYUIZHBB-KRWDZBQOSA-N 2 1 306.450 3.295 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000067222770 1195609100 /nfs/dbraw/zinc/60/91/00/1195609100.db2.gz WEBUAPCONYPVMH-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC001652890250 1195666775 /nfs/dbraw/zinc/66/67/75/1195666775.db2.gz NXBUVSLBOHAIGT-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890250 1195666782 /nfs/dbraw/zinc/66/67/82/1195666782.db2.gz NXBUVSLBOHAIGT-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890250 1195666786 /nfs/dbraw/zinc/66/67/86/1195666786.db2.gz NXBUVSLBOHAIGT-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001652890250 1195666789 /nfs/dbraw/zinc/66/67/89/1195666789.db2.gz NXBUVSLBOHAIGT-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001652890250 1195666794 /nfs/dbraw/zinc/66/67/94/1195666794.db2.gz NXBUVSLBOHAIGT-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP COCC[N@@H+](CC[C@H](C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC001652936747 1195672163 /nfs/dbraw/zinc/67/21/63/1195672163.db2.gz FNUXYUPEMCKYOB-SFHVURJKSA-N 2 1 318.505 3.470 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)ccc2O1 ZINC001653025952 1195681394 /nfs/dbraw/zinc/68/13/94/1195681394.db2.gz SEDNRPDWYURYIT-HOTGVXAUSA-N 2 1 323.440 3.116 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+][C@@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001653234406 1195701432 /nfs/dbraw/zinc/70/14/32/1195701432.db2.gz WRXNCBMLVUTVCK-FCGDIQPGSA-N 2 1 316.514 3.382 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCOC(F)(F)F)C2)CC1 ZINC001653255048 1195704408 /nfs/dbraw/zinc/70/44/08/1195704408.db2.gz FNEHESZZWLCIOI-HNNXBMFYSA-N 2 1 322.415 3.357 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCOC(F)(F)F)C2)CC1 ZINC001653255048 1195704409 /nfs/dbraw/zinc/70/44/09/1195704409.db2.gz FNEHESZZWLCIOI-HNNXBMFYSA-N 2 1 322.415 3.357 20 0 DGADMP CCN(C[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001653286543 1195707342 /nfs/dbraw/zinc/70/73/42/1195707342.db2.gz QERSURXXYUTGPM-MISYRCLQSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001653286543 1195707346 /nfs/dbraw/zinc/70/73/46/1195707346.db2.gz QERSURXXYUTGPM-MISYRCLQSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001653286543 1195707349 /nfs/dbraw/zinc/70/73/49/1195707349.db2.gz QERSURXXYUTGPM-MISYRCLQSA-N 2 1 315.505 3.238 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001653501015 1195728739 /nfs/dbraw/zinc/72/87/39/1195728739.db2.gz IVLUQMCVNJCKCB-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001653501015 1195728743 /nfs/dbraw/zinc/72/87/43/1195728743.db2.gz IVLUQMCVNJCKCB-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001653501015 1195728748 /nfs/dbraw/zinc/72/87/48/1195728748.db2.gz IVLUQMCVNJCKCB-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC001653532120 1195731755 /nfs/dbraw/zinc/73/17/55/1195731755.db2.gz DXIGMFBXAPUEFF-HXUWFJFHSA-N 2 1 318.505 3.360 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001654414940 1195802245 /nfs/dbraw/zinc/80/22/45/1195802245.db2.gz LQQXQMJGITXELF-OYRHEFFESA-N 2 1 324.468 3.492 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001654414940 1195802247 /nfs/dbraw/zinc/80/22/47/1195802247.db2.gz LQQXQMJGITXELF-OYRHEFFESA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001654414940 1195802249 /nfs/dbraw/zinc/80/22/49/1195802249.db2.gz LQQXQMJGITXELF-OYRHEFFESA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001654414940 1195802251 /nfs/dbraw/zinc/80/22/51/1195802251.db2.gz LQQXQMJGITXELF-OYRHEFFESA-N 2 1 324.468 3.492 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001654465946 1195806884 /nfs/dbraw/zinc/80/68/84/1195806884.db2.gz IBGBVBHWCKUNMM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001654465946 1195806887 /nfs/dbraw/zinc/80/68/87/1195806887.db2.gz IBGBVBHWCKUNMM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001654465946 1195806892 /nfs/dbraw/zinc/80/68/92/1195806892.db2.gz IBGBVBHWCKUNMM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001654465946 1195806895 /nfs/dbraw/zinc/80/68/95/1195806895.db2.gz IBGBVBHWCKUNMM-KGLIPLIRSA-N 2 1 313.272 3.419 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1([C@H]3CCCCO3)CCC1)C2 ZINC001654511659 1195811202 /nfs/dbraw/zinc/81/12/02/1195811202.db2.gz WORUWWLQPWSKIM-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1([C@H]3CCCCO3)CCC1)C2 ZINC001654511659 1195811211 /nfs/dbraw/zinc/81/12/11/1195811211.db2.gz WORUWWLQPWSKIM-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1([C@H]3CCCCO3)CCC1)C2 ZINC001654511659 1195811213 /nfs/dbraw/zinc/81/12/13/1195811213.db2.gz WORUWWLQPWSKIM-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC2(O)CCCCC2)CC1 ZINC001654512525 1195811403 /nfs/dbraw/zinc/81/14/03/1195811403.db2.gz RBWOMWFBKRHBQI-SFHVURJKSA-N 2 1 308.510 3.268 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543928 1195814597 /nfs/dbraw/zinc/81/45/97/1195814597.db2.gz WYRSSWOSMYSOJX-NVXWUHKLSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543928 1195814601 /nfs/dbraw/zinc/81/46/01/1195814601.db2.gz WYRSSWOSMYSOJX-NVXWUHKLSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543928 1195814604 /nfs/dbraw/zinc/81/46/04/1195814604.db2.gz WYRSSWOSMYSOJX-NVXWUHKLSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543928 1195814606 /nfs/dbraw/zinc/81/46/06/1195814606.db2.gz WYRSSWOSMYSOJX-NVXWUHKLSA-N 2 1 322.468 3.095 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)nc1)C[NH+]1CCCCC1 ZINC000069784026 1195820373 /nfs/dbraw/zinc/82/03/73/1195820373.db2.gz XFZRALFKEWTHLC-KRWDZBQOSA-N 2 1 324.472 3.355 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728184 1195833255 /nfs/dbraw/zinc/83/32/55/1195833255.db2.gz WAKUNDUILBXOQA-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728184 1195833260 /nfs/dbraw/zinc/83/32/60/1195833260.db2.gz WAKUNDUILBXOQA-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728184 1195833264 /nfs/dbraw/zinc/83/32/64/1195833264.db2.gz WAKUNDUILBXOQA-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728184 1195833270 /nfs/dbraw/zinc/83/32/70/1195833270.db2.gz WAKUNDUILBXOQA-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(CC2CCCCC2)CC1)C1CC1 ZINC001654932571 1195856003 /nfs/dbraw/zinc/85/60/03/1195856003.db2.gz JQARKVWIHVJTIT-LJQANCHMSA-N 2 1 308.510 3.124 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CC2CCCCC2)CC1)C1CC1 ZINC001654932571 1195856009 /nfs/dbraw/zinc/85/60/09/1195856009.db2.gz JQARKVWIHVJTIT-LJQANCHMSA-N 2 1 308.510 3.124 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC001655302136 1195901458 /nfs/dbraw/zinc/90/14/58/1195901458.db2.gz MDQUBZBYYSJAFL-IYBDPMFKSA-N 2 1 304.478 3.461 20 0 DGADMP Cc1cccn2c(C[NH2+]CCC[NH+]3C[C@@H](C)C[C@H](C)C3)cnc12 ZINC001655302454 1195901579 /nfs/dbraw/zinc/90/15/79/1195901579.db2.gz ZLXYHDLYSCBESB-HOTGVXAUSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC001655468649 1195920878 /nfs/dbraw/zinc/92/08/78/1195920878.db2.gz WOQNXEKIALXZDH-CYBMUJFWSA-N 2 1 320.868 3.264 20 0 DGADMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1C ZINC001655633956 1195943534 /nfs/dbraw/zinc/94/35/34/1195943534.db2.gz CQUWJJAUUDPPLW-MRXNPFEDSA-N 2 1 311.429 3.109 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663872 1195946095 /nfs/dbraw/zinc/94/60/95/1195946095.db2.gz OLVGNLQAEHJIAN-SJORKVTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663872 1195946099 /nfs/dbraw/zinc/94/60/99/1195946099.db2.gz OLVGNLQAEHJIAN-SJORKVTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663872 1195946101 /nfs/dbraw/zinc/94/61/01/1195946101.db2.gz OLVGNLQAEHJIAN-SJORKVTESA-N 2 1 324.896 3.221 20 0 DGADMP Cc1ccccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001655977194 1195984178 /nfs/dbraw/zinc/98/41/78/1195984178.db2.gz IBUHTGDRZWGYKF-OAQYLSRUSA-N 2 1 324.468 3.242 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC001656031310 1195989598 /nfs/dbraw/zinc/98/95/98/1195989598.db2.gz FWSCDGIBCZJBDX-NVXWUHKLSA-N 2 1 314.473 3.017 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)CC1CCC1 ZINC001656296299 1196027770 /nfs/dbraw/zinc/02/77/70/1196027770.db2.gz ISVQGSFYKACLON-LJQANCHMSA-N 2 1 318.505 3.285 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001656395140 1196035788 /nfs/dbraw/zinc/03/57/88/1196035788.db2.gz HYZMXAVJDZRZBQ-AWEZNQCLSA-N 2 1 320.868 3.198 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001656395140 1196035791 /nfs/dbraw/zinc/03/57/91/1196035791.db2.gz HYZMXAVJDZRZBQ-AWEZNQCLSA-N 2 1 320.868 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC001656582947 1196051831 /nfs/dbraw/zinc/05/18/31/1196051831.db2.gz BVKRUWQPNCIJFM-DLTWYDFYSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC001656582947 1196051833 /nfs/dbraw/zinc/05/18/33/1196051833.db2.gz BVKRUWQPNCIJFM-DLTWYDFYSA-N 2 1 308.491 3.288 20 0 DGADMP CCC[N@H+](C)CC(C)(C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001656689859 1196062530 /nfs/dbraw/zinc/06/25/30/1196062530.db2.gz BRHDUODCOZIRBK-KRWDZBQOSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001656689859 1196062533 /nfs/dbraw/zinc/06/25/33/1196062533.db2.gz BRHDUODCOZIRBK-KRWDZBQOSA-N 2 1 304.478 3.263 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c2c(n1)CCCC2 ZINC001656719562 1196064911 /nfs/dbraw/zinc/06/49/11/1196064911.db2.gz RWYCFMDBMSDHIA-UHFFFAOYSA-N 2 1 315.505 3.479 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC001656798367 1196071897 /nfs/dbraw/zinc/07/18/97/1196071897.db2.gz CMSPSCYOCKIPBH-PMACEKPBSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC001656798367 1196071898 /nfs/dbraw/zinc/07/18/98/1196071898.db2.gz CMSPSCYOCKIPBH-PMACEKPBSA-N 2 1 307.441 3.465 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001656794832 1196071970 /nfs/dbraw/zinc/07/19/70/1196071970.db2.gz LBAKBICCHZXZEF-KRWDZBQOSA-N 2 1 303.494 3.354 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001657056918 1196098044 /nfs/dbraw/zinc/09/80/44/1196098044.db2.gz MBYGMDQQZCGKCI-YESZJQIVSA-N 2 1 312.498 3.208 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001657056918 1196098046 /nfs/dbraw/zinc/09/80/46/1196098046.db2.gz MBYGMDQQZCGKCI-YESZJQIVSA-N 2 1 312.498 3.208 20 0 DGADMP C[C@@H](O)C(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001657078780 1196101643 /nfs/dbraw/zinc/10/16/43/1196101643.db2.gz UPZRUDMDXRPXMB-MRXNPFEDSA-N 2 1 306.494 3.141 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193831 1196117048 /nfs/dbraw/zinc/11/70/48/1196117048.db2.gz ACHXRXZWWZHUBI-WMZOPIPTSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193831 1196117052 /nfs/dbraw/zinc/11/70/52/1196117052.db2.gz ACHXRXZWWZHUBI-WMZOPIPTSA-N 2 1 314.473 3.318 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC001657279221 1196126894 /nfs/dbraw/zinc/12/68/94/1196126894.db2.gz QPMFAANAROBCCF-UHFFFAOYSA-N 2 1 309.417 3.152 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001657405451 1196137852 /nfs/dbraw/zinc/13/78/52/1196137852.db2.gz XFFSQXRQLGQDOA-GOSISDBHSA-N 2 1 301.478 3.487 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001657455725 1196143565 /nfs/dbraw/zinc/14/35/65/1196143565.db2.gz CVMBYOBGVHWGCL-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001657455725 1196143568 /nfs/dbraw/zinc/14/35/68/1196143568.db2.gz CVMBYOBGVHWGCL-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001657455725 1196143573 /nfs/dbraw/zinc/14/35/73/1196143573.db2.gz CVMBYOBGVHWGCL-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([Si](C)(C)C)cc2)CC1(C)C ZINC001657469274 1196145927 /nfs/dbraw/zinc/14/59/27/1196145927.db2.gz CWKORWLKCBCPOI-INIZCTEOSA-N 2 1 304.554 3.194 20 0 DGADMP Clc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC001657728426 1196172937 /nfs/dbraw/zinc/17/29/37/1196172937.db2.gz LIPDCOAHFABQEF-UHFFFAOYSA-N 2 1 307.869 3.479 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](CC3CC[NH+](CC)CC3)CCO2)cc1 ZINC001657776894 1196177308 /nfs/dbraw/zinc/17/73/08/1196177308.db2.gz DETJRLAQKDJXLW-FQEVSTJZSA-N 2 1 316.489 3.354 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1)CC(C)C ZINC001658020868 1196203037 /nfs/dbraw/zinc/20/30/37/1196203037.db2.gz YABSHSBUFRYQMN-UHFFFAOYSA-N 2 1 319.493 3.367 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC001658185875 1196222597 /nfs/dbraw/zinc/22/25/97/1196222597.db2.gz IQHZBGZBBKTQKE-KRWDZBQOSA-N 2 1 314.477 3.391 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001658188528 1196223531 /nfs/dbraw/zinc/22/35/31/1196223531.db2.gz AUEIHQKFJIZBGQ-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP Cc1cc(C)c(/C=C\C[N@H+](CCO)C2CCN(C)CC2)c(C)c1 ZINC001658201947 1196224839 /nfs/dbraw/zinc/22/48/39/1196224839.db2.gz KUEGYXQQIPDXQU-WAYWQWQTSA-N 2 1 316.489 3.014 20 0 DGADMP Cc1cc(C)c(/C=C\CN(CCO)C2CC[NH+](C)CC2)c(C)c1 ZINC001658201947 1196224843 /nfs/dbraw/zinc/22/48/43/1196224843.db2.gz KUEGYXQQIPDXQU-WAYWQWQTSA-N 2 1 316.489 3.014 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC001658392991 1196250163 /nfs/dbraw/zinc/25/01/63/1196250163.db2.gz SZJOKLJYOWCISU-MONCILHSSA-N 2 1 320.452 3.272 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001658487324 1196263470 /nfs/dbraw/zinc/26/34/70/1196263470.db2.gz ZGRTVSQQUJZTGL-FUHWJXTLSA-N 2 1 304.478 3.194 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC001658503561 1196266063 /nfs/dbraw/zinc/26/60/63/1196266063.db2.gz SZSXFLYTJXFGOK-KRWDZBQOSA-N 2 1 316.445 3.284 20 0 DGADMP CCCN(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001658593853 1196277850 /nfs/dbraw/zinc/27/78/50/1196277850.db2.gz RYFBFAQJSCIYKL-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[N@@H+]1C ZINC001658823031 1196304988 /nfs/dbraw/zinc/30/49/88/1196304988.db2.gz XVLHNEWTOIQKJU-HDICACEKSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)N1C ZINC001658823031 1196304990 /nfs/dbraw/zinc/30/49/90/1196304990.db2.gz XVLHNEWTOIQKJU-HDICACEKSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)N1C ZINC001658823031 1196304995 /nfs/dbraw/zinc/30/49/95/1196304995.db2.gz XVLHNEWTOIQKJU-HDICACEKSA-N 2 1 315.505 3.197 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001658840089 1196308064 /nfs/dbraw/zinc/30/80/64/1196308064.db2.gz NGCUXNICOABNDO-KXBFYZLASA-N 2 1 302.462 3.420 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C2 ZINC001659110528 1196347313 /nfs/dbraw/zinc/34/73/13/1196347313.db2.gz ZQWUYBCXHMQURP-AEFFLSMTSA-N 2 1 316.489 3.263 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CC(O)(c3cccc4ccccc43)C2)CC1 ZINC001659549021 1196395035 /nfs/dbraw/zinc/39/50/35/1196395035.db2.gz JOSJTYYRAYPWGA-UHFFFAOYSA-N 2 1 324.468 3.075 20 0 DGADMP CCCC[N@@H+](CCC(=O)OCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001659618775 1196399865 /nfs/dbraw/zinc/39/98/65/1196399865.db2.gz BWLJEYJGSYPVSE-UHFFFAOYSA-N 2 1 312.498 3.351 20 0 DGADMP Cc1ccccc1SC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001659656319 1196403771 /nfs/dbraw/zinc/40/37/71/1196403771.db2.gz MCAAFBFCIXALNO-KMANFZQXSA-N 2 1 304.503 3.215 20 0 DGADMP Cc1ccccc1SC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001659656319 1196403774 /nfs/dbraw/zinc/40/37/74/1196403774.db2.gz MCAAFBFCIXALNO-KMANFZQXSA-N 2 1 304.503 3.215 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCc2cccnc2)CC1 ZINC001659785572 1196414387 /nfs/dbraw/zinc/41/43/87/1196414387.db2.gz RFNPQOWGPQENPU-IBGZPJMESA-N 2 1 301.478 3.211 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000075780636 1196421074 /nfs/dbraw/zinc/42/10/74/1196421074.db2.gz JYQRAZXBFKAHPD-MRXNPFEDSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2(C)C)cc1 ZINC001659950950 1196431961 /nfs/dbraw/zinc/43/19/61/1196431961.db2.gz SOXNXAZIGPIBEL-MOPGFXCFSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950950 1196431962 /nfs/dbraw/zinc/43/19/62/1196431962.db2.gz SOXNXAZIGPIBEL-MOPGFXCFSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950950 1196431965 /nfs/dbraw/zinc/43/19/65/1196431965.db2.gz SOXNXAZIGPIBEL-MOPGFXCFSA-N 2 1 318.505 3.264 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@@H]1CC ZINC001660053293 1196440818 /nfs/dbraw/zinc/44/08/18/1196440818.db2.gz FKVITMGIBVJKOS-MTQWCTHYSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@@H]1CC ZINC001660053293 1196440822 /nfs/dbraw/zinc/44/08/22/1196440822.db2.gz FKVITMGIBVJKOS-MTQWCTHYSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2c1OCC2 ZINC001660369420 1196475787 /nfs/dbraw/zinc/47/57/87/1196475787.db2.gz BAKHRVHPNTYMQJ-CRAIPNDOSA-N 2 1 302.462 3.174 20 0 DGADMP COc1ccccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443439 1196481054 /nfs/dbraw/zinc/48/10/54/1196481054.db2.gz SHQGJFYMOYOMEI-LJQANCHMSA-N 2 1 324.468 3.349 20 0 DGADMP COc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000076443439 1196481057 /nfs/dbraw/zinc/48/10/57/1196481057.db2.gz SHQGJFYMOYOMEI-LJQANCHMSA-N 2 1 324.468 3.349 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001660886957 1196539398 /nfs/dbraw/zinc/53/93/98/1196539398.db2.gz OGLZWXJOMMNOBY-GBESFXJTSA-N 2 1 316.489 3.420 20 0 DGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(F)c1 ZINC001660893091 1196539784 /nfs/dbraw/zinc/53/97/84/1196539784.db2.gz NQLXVXIFSZYDLZ-SOUVJXGZSA-N 2 1 308.416 3.435 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC001660953224 1196546397 /nfs/dbraw/zinc/54/63/97/1196546397.db2.gz CICFVJZQGVXSQH-UHOSZYNNSA-N 2 1 314.473 3.159 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC001660953224 1196546401 /nfs/dbraw/zinc/54/64/01/1196546401.db2.gz CICFVJZQGVXSQH-UHOSZYNNSA-N 2 1 314.473 3.159 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC001662044791 1196676945 /nfs/dbraw/zinc/67/69/45/1196676945.db2.gz YOCQJOBBLLEHLN-UHFFFAOYSA-N 2 1 303.431 3.063 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001662044791 1196676946 /nfs/dbraw/zinc/67/69/46/1196676946.db2.gz YOCQJOBBLLEHLN-UHFFFAOYSA-N 2 1 303.431 3.063 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCCC1 ZINC001662173679 1196690174 /nfs/dbraw/zinc/69/01/74/1196690174.db2.gz NDXQDADDAXREHF-UHFFFAOYSA-N 2 1 324.472 3.355 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1COC(C)(C)C1 ZINC001663414385 1196861880 /nfs/dbraw/zinc/86/18/80/1196861880.db2.gz RQXQPFAXRCMPBY-QGZVFWFLSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)ccc1Br ZINC001663482462 1196882919 /nfs/dbraw/zinc/88/29/19/1196882919.db2.gz CGLTZRCHYVMLEN-IIAWOOMASA-N 2 1 323.278 3.187 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC001663484036 1196884835 /nfs/dbraw/zinc/88/48/35/1196884835.db2.gz QWTKINXXNZMQGU-OFQRWUPVSA-N 2 1 323.278 3.187 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@H]2C1 ZINC001663489019 1196884937 /nfs/dbraw/zinc/88/49/37/1196884937.db2.gz GUXSXDCDLMDGRJ-WFBYXXMGSA-N 2 1 314.260 3.005 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@H]2C1 ZINC001663489019 1196884940 /nfs/dbraw/zinc/88/49/40/1196884940.db2.gz GUXSXDCDLMDGRJ-WFBYXXMGSA-N 2 1 314.260 3.005 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001664617254 1197021775 /nfs/dbraw/zinc/02/17/75/1197021775.db2.gz BMUIZZYEVKTZLO-RHSMWYFYSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001664617254 1197021780 /nfs/dbraw/zinc/02/17/80/1197021780.db2.gz BMUIZZYEVKTZLO-RHSMWYFYSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001664617254 1197021785 /nfs/dbraw/zinc/02/17/85/1197021785.db2.gz BMUIZZYEVKTZLO-RHSMWYFYSA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001664617254 1197021787 /nfs/dbraw/zinc/02/17/87/1197021787.db2.gz BMUIZZYEVKTZLO-RHSMWYFYSA-N 2 1 308.491 3.059 20 0 DGADMP CSCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC001664618940 1197022289 /nfs/dbraw/zinc/02/22/89/1197022289.db2.gz VVOGBZQGNZIYQT-ZWKOTPCHSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC001664618940 1197022293 /nfs/dbraw/zinc/02/22/93/1197022293.db2.gz VVOGBZQGNZIYQT-ZWKOTPCHSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC001664618940 1197022299 /nfs/dbraw/zinc/02/22/99/1197022299.db2.gz VVOGBZQGNZIYQT-ZWKOTPCHSA-N 2 1 304.503 3.466 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001664897401 1197077854 /nfs/dbraw/zinc/07/78/54/1197077854.db2.gz YEALQRVUQAUXSH-HZPDHXFCSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001664897401 1197077855 /nfs/dbraw/zinc/07/78/55/1197077855.db2.gz YEALQRVUQAUXSH-HZPDHXFCSA-N 2 1 320.477 3.446 20 0 DGADMP c1[nH]nc2c1cccc2C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000083997412 1197455739 /nfs/dbraw/zinc/45/57/39/1197455739.db2.gz SQZDRESDYQPNPS-UHFFFAOYSA-N 2 1 320.440 3.317 20 0 DGADMP c1ccc(C(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000324357279 1197692747 /nfs/dbraw/zinc/69/27/47/1197692747.db2.gz HBPYXRYQUKVFHA-WOJBJXKFSA-N 2 1 306.453 3.360 20 0 DGADMP C[N@@H+](Cc1c(F)cccc1Br)CC1CC[NH2+]CC1 ZINC000394711034 1197722056 /nfs/dbraw/zinc/72/20/56/1197722056.db2.gz PVDQSMPEWXMPNK-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1c(F)cccc1Br)CC1CC[NH2+]CC1 ZINC000394711034 1197722064 /nfs/dbraw/zinc/72/20/64/1197722064.db2.gz PVDQSMPEWXMPNK-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001676817461 1198399222 /nfs/dbraw/zinc/39/92/22/1198399222.db2.gz YKSARXRWAHMHOP-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](C(C)C)CC2 ZINC001676817461 1198399232 /nfs/dbraw/zinc/39/92/32/1198399232.db2.gz YKSARXRWAHMHOP-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](C(C)C)CC2 ZINC001676817461 1198399238 /nfs/dbraw/zinc/39/92/38/1198399238.db2.gz YKSARXRWAHMHOP-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@](C)(CO)C1 ZINC000093340990 1198679720 /nfs/dbraw/zinc/67/97/20/1198679720.db2.gz BYUJACZOKNKNDV-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@](C)(CO)C1 ZINC000093340990 1198679721 /nfs/dbraw/zinc/67/97/21/1198679721.db2.gz BYUJACZOKNKNDV-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@](C)(CO)C1 ZINC000093340990 1198679724 /nfs/dbraw/zinc/67/97/24/1198679724.db2.gz BYUJACZOKNKNDV-FQEVSTJZSA-N 2 1 318.505 3.239 20 0 DGADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1F ZINC000093465459 1198693683 /nfs/dbraw/zinc/69/36/83/1198693683.db2.gz YRFSDSICBGUPTL-GWCFXTLKSA-N 2 1 315.230 3.208 20 0 DGADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000103173879 1199483324 /nfs/dbraw/zinc/48/33/24/1199483324.db2.gz UPRNAOLREMXTMS-QGZVFWFLSA-N 2 1 300.471 3.402 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000103343628 1199490324 /nfs/dbraw/zinc/49/03/24/1199490324.db2.gz CWXWZGFFLLVKBO-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP CCn1nc(C)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1C ZINC000105425005 1199539660 /nfs/dbraw/zinc/53/96/60/1199539660.db2.gz KTPLFMFFTYEJMF-UHFFFAOYSA-N 2 1 318.509 3.264 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000303230026 1199589564 /nfs/dbraw/zinc/58/95/64/1199589564.db2.gz SXABLDWMGULCQO-SOAGJPPSSA-N 2 1 315.505 3.113 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000304258763 1199637289 /nfs/dbraw/zinc/63/72/89/1199637289.db2.gz BDVNJQUAINVEMX-SFHVURJKSA-N 2 1 316.470 3.036 20 0 DGADMP COc1cccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1OC ZINC000116379163 1199797576 /nfs/dbraw/zinc/79/75/76/1199797576.db2.gz UDGZIVCGKFHEET-INIZCTEOSA-N 2 1 308.466 3.160 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116367365 1199797596 /nfs/dbraw/zinc/79/75/96/1199797596.db2.gz IJXMEGNDNCZLLD-MRXNPFEDSA-N 2 1 312.461 3.342 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000318347278 1199831159 /nfs/dbraw/zinc/83/11/59/1199831159.db2.gz CKUJMNMVLCZHFA-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000318347278 1199831163 /nfs/dbraw/zinc/83/11/63/1199831163.db2.gz CKUJMNMVLCZHFA-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP FC(F)Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000318900607 1199835296 /nfs/dbraw/zinc/83/52/96/1199835296.db2.gz RTUWBQZTCPHGBK-KRWDZBQOSA-N 2 1 310.388 3.254 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000318900607 1199835297 /nfs/dbraw/zinc/83/52/97/1199835297.db2.gz RTUWBQZTCPHGBK-KRWDZBQOSA-N 2 1 310.388 3.254 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000119522467 1200085342 /nfs/dbraw/zinc/08/53/42/1200085342.db2.gz APARXBYTAMCFHE-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000120856733 1200176012 /nfs/dbraw/zinc/17/60/12/1200176012.db2.gz IDSDEAXBABQNLI-KRWDZBQOSA-N 2 1 304.478 3.461 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120856733 1200176017 /nfs/dbraw/zinc/17/60/17/1200176017.db2.gz IDSDEAXBABQNLI-KRWDZBQOSA-N 2 1 304.478 3.461 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000121285670 1200206385 /nfs/dbraw/zinc/20/63/85/1200206385.db2.gz SYAWTMQCQYCCEN-QFBILLFUSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000121716104 1200227251 /nfs/dbraw/zinc/22/72/51/1200227251.db2.gz ZRRQHHFVMYDFOB-KRWDZBQOSA-N 2 1 309.457 3.439 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000121819370 1200239069 /nfs/dbraw/zinc/23/90/69/1200239069.db2.gz PWAUHQWQLXGEDJ-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000121854304 1200243355 /nfs/dbraw/zinc/24/33/55/1200243355.db2.gz KDZYSODLSHDIDA-CRAIPNDOSA-N 2 1 304.503 3.339 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001690459974 1200575399 /nfs/dbraw/zinc/57/53/99/1200575399.db2.gz WUZVSXGBKDIFSF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001690459974 1200575404 /nfs/dbraw/zinc/57/54/04/1200575404.db2.gz WUZVSXGBKDIFSF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001690459974 1200575408 /nfs/dbraw/zinc/57/54/08/1200575408.db2.gz WUZVSXGBKDIFSF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000130530972 1201009337 /nfs/dbraw/zinc/00/93/37/1201009337.db2.gz SFFBLRHAIPWQGI-CYBMUJFWSA-N 2 1 315.848 3.462 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131815599 1201159748 /nfs/dbraw/zinc/15/97/48/1201159748.db2.gz JBSUQKFGZJESPH-MIGBEJBISA-N 2 1 302.462 3.318 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131815599 1201159754 /nfs/dbraw/zinc/15/97/54/1201159754.db2.gz JBSUQKFGZJESPH-MIGBEJBISA-N 2 1 302.462 3.318 20 0 DGADMP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000136483732 1201213739 /nfs/dbraw/zinc/21/37/39/1201213739.db2.gz OMBFSEITCMFSKE-NRFANRHFSA-N 2 1 324.468 3.283 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001699635211 1202001425 /nfs/dbraw/zinc/00/14/25/1202001425.db2.gz OOGFVCGGRFBFMW-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001699635211 1202001429 /nfs/dbraw/zinc/00/14/29/1202001429.db2.gz OOGFVCGGRFBFMW-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001699635211 1202001433 /nfs/dbraw/zinc/00/14/33/1202001433.db2.gz OOGFVCGGRFBFMW-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001700324614 1202237082 /nfs/dbraw/zinc/23/70/82/1202237082.db2.gz WDZXXZDKGMSJGL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001700324433 1202237171 /nfs/dbraw/zinc/23/71/71/1202237171.db2.gz UTYDDNIVWCZQSM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+]1CCC(n2cc(Nc3cc[nH+]c4ccccc34)cn2)CC1 ZINC000219356582 1202565033 /nfs/dbraw/zinc/56/50/33/1202565033.db2.gz RTAANIOSBHXHRN-UHFFFAOYSA-N 2 1 307.401 3.442 20 0 DGADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1CC ZINC001707198826 1202576103 /nfs/dbraw/zinc/57/61/03/1202576103.db2.gz WJHRBXXXIWNOIZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1CC ZINC001707198826 1202576104 /nfs/dbraw/zinc/57/61/04/1202576104.db2.gz WJHRBXXXIWNOIZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1CC ZINC001707198826 1202576105 /nfs/dbraw/zinc/57/61/05/1202576105.db2.gz WJHRBXXXIWNOIZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151798759 1202593110 /nfs/dbraw/zinc/59/31/10/1202593110.db2.gz AUHWDOLATWFGBT-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP Cc1ccc2ncc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)n2c1 ZINC000156920806 1202601739 /nfs/dbraw/zinc/60/17/39/1202601739.db2.gz UZXKATURYOFXJQ-MRXNPFEDSA-N 2 1 302.466 3.099 20 0 DGADMP C[NH2+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC000234375045 1202603632 /nfs/dbraw/zinc/60/36/32/1202603632.db2.gz QTGMRTWVVJKTSY-KRWDZBQOSA-N 2 1 304.554 3.196 20 0 DGADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC000234375045 1202603633 /nfs/dbraw/zinc/60/36/33/1202603633.db2.gz QTGMRTWVVJKTSY-KRWDZBQOSA-N 2 1 304.554 3.196 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000237532617 1202676425 /nfs/dbraw/zinc/67/64/25/1202676425.db2.gz XQGWUWIRESBWSN-CQSZACIVSA-N 2 1 312.404 3.418 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000237551330 1202677784 /nfs/dbraw/zinc/67/77/84/1202677784.db2.gz XALICUVXQMJIHK-LBPRGKRZSA-N 2 1 304.356 3.058 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000259145499 1203416000 /nfs/dbraw/zinc/41/60/00/1203416000.db2.gz UTCITQAZYTYZER-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000259145499 1203416001 /nfs/dbraw/zinc/41/60/01/1203416001.db2.gz UTCITQAZYTYZER-GJZGRUSLSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c(Br)c1 ZINC000164125258 1203621365 /nfs/dbraw/zinc/62/13/65/1203621365.db2.gz XZTADDNAASLGKY-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP CCCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001717539901 1203677247 /nfs/dbraw/zinc/67/72/47/1203677247.db2.gz FESTXHMKXOIKTE-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733055146 1205007009 /nfs/dbraw/zinc/00/70/09/1205007009.db2.gz SSBSNVLBWVPMPT-OPDSQHBBSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733055146 1205007012 /nfs/dbraw/zinc/00/70/12/1205007012.db2.gz SSBSNVLBWVPMPT-OPDSQHBBSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733055146 1205007017 /nfs/dbraw/zinc/00/70/17/1205007017.db2.gz SSBSNVLBWVPMPT-OPDSQHBBSA-N 2 1 323.525 3.042 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[NH+](C)C[C@H]2C)nc1 ZINC001164633277 719250848 /nfs/dbraw/zinc/25/08/48/719250848.db2.gz KPKNMRYDBGMDQQ-JFIYKMOQSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc1 ZINC001164633277 719250850 /nfs/dbraw/zinc/25/08/50/719250850.db2.gz KPKNMRYDBGMDQQ-JFIYKMOQSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC001164633277 719250853 /nfs/dbraw/zinc/25/08/53/719250853.db2.gz KPKNMRYDBGMDQQ-JFIYKMOQSA-N 2 1 316.493 3.157 20 0 DGADMP C[NH+](C)[C@H]1CCCN(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001165034270 721896850 /nfs/dbraw/zinc/89/68/50/721896850.db2.gz AGOKDPGOAPPISG-KRWDZBQOSA-N 2 1 324.472 3.365 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(N3CCCc4ccc(C[NH3+])nc43)cc2)C1 ZINC001169591930 1081600171 /nfs/dbraw/zinc/60/01/71/1081600171.db2.gz PWPXHJVIPKWGEN-QGZVFWFLSA-N 2 1 322.456 3.044 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001208614729 1081637488 /nfs/dbraw/zinc/63/74/88/1081637488.db2.gz FPMQRKDSUAFRCC-HXUWFJFHSA-N 3 1 321.553 3.162 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](C[C@@H]3CCCN(C)C3)CC2)CC1 ZINC001208614729 1081637490 /nfs/dbraw/zinc/63/74/90/1081637490.db2.gz FPMQRKDSUAFRCC-HXUWFJFHSA-N 2 1 321.553 3.162 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc(Cl)c(F)c1 ZINC001169761194 1081650524 /nfs/dbraw/zinc/65/05/24/1081650524.db2.gz DSJOUPZDSQSPSH-UHFFFAOYSA-N 2 1 314.832 3.276 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc(Cl)c(F)c1 ZINC001169761194 1081650527 /nfs/dbraw/zinc/65/05/27/1081650527.db2.gz DSJOUPZDSQSPSH-UHFFFAOYSA-N 2 1 314.832 3.276 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926838 1081682367 /nfs/dbraw/zinc/68/23/67/1081682367.db2.gz IIVJTYUXSASYPJ-KBAYOESNSA-N 2 1 322.493 3.187 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453011 1081757105 /nfs/dbraw/zinc/75/71/05/1081757105.db2.gz CCNMACAJEMHYBC-SFHVURJKSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453011 1081757110 /nfs/dbraw/zinc/75/71/10/1081757110.db2.gz CCNMACAJEMHYBC-SFHVURJKSA-N 2 1 317.477 3.109 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266461813 1081858536 /nfs/dbraw/zinc/85/85/36/1081858536.db2.gz XCANLNZNJXMYCX-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266461813 1081858545 /nfs/dbraw/zinc/85/85/45/1081858545.db2.gz XCANLNZNJXMYCX-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCc2ncc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)cc2C1 ZINC001210705806 1082010199 /nfs/dbraw/zinc/01/01/99/1082010199.db2.gz QXNIEINJDMIUFF-GOSISDBHSA-N 2 1 312.461 3.014 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398015460 1082053739 /nfs/dbraw/zinc/05/37/39/1082053739.db2.gz GEBQWZMIYAXPTI-ISARSNTHSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398015460 1082053745 /nfs/dbraw/zinc/05/37/45/1082053745.db2.gz GEBQWZMIYAXPTI-ISARSNTHSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2ccccn12 ZINC001203155625 1082095953 /nfs/dbraw/zinc/09/59/53/1082095953.db2.gz ZSJJYLXZWUGEFG-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2ccccn12 ZINC001203155625 1082095959 /nfs/dbraw/zinc/09/59/59/1082095959.db2.gz ZSJJYLXZWUGEFG-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC001203155625 1082095967 /nfs/dbraw/zinc/09/59/67/1082095967.db2.gz ZSJJYLXZWUGEFG-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC001203155625 1082095975 /nfs/dbraw/zinc/09/59/75/1082095975.db2.gz ZSJJYLXZWUGEFG-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc(C)c1F ZINC001143380830 1082100339 /nfs/dbraw/zinc/10/03/39/1082100339.db2.gz XTQSFHRXSIXXGZ-UHFFFAOYSA-N 2 1 319.424 3.073 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170111166 1082109286 /nfs/dbraw/zinc/10/92/86/1082109286.db2.gz AYQAONUZVDNYCB-APWZRJJASA-N 2 1 316.489 3.480 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215041 1082314079 /nfs/dbraw/zinc/31/40/79/1082314079.db2.gz XOKBAZFEPGANQM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215041 1082314084 /nfs/dbraw/zinc/31/40/84/1082314084.db2.gz XOKBAZFEPGANQM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215041 1082314089 /nfs/dbraw/zinc/31/40/89/1082314089.db2.gz XOKBAZFEPGANQM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215041 1082314095 /nfs/dbraw/zinc/31/40/95/1082314095.db2.gz XOKBAZFEPGANQM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001170410723 1082369746 /nfs/dbraw/zinc/36/97/46/1082369746.db2.gz GNNHCYYXCMHCAY-WBVHZDCISA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001170444986 1082460132 /nfs/dbraw/zinc/46/01/32/1082460132.db2.gz WJAGYXHOGMBXNB-QGZVFWFLSA-N 2 1 318.461 3.154 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC23CCOCC3)C[C@H]1C ZINC001167586632 1082566559 /nfs/dbraw/zinc/56/65/59/1082566559.db2.gz PBJKYWRLVHFNAH-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC23CCOCC3)C[C@H]1C ZINC001167586632 1082566563 /nfs/dbraw/zinc/56/65/63/1082566563.db2.gz PBJKYWRLVHFNAH-SQNIBIBYSA-N 2 1 308.510 3.388 20 0 DGADMP COc1ccc2[nH+]ccc(N3C(C)(C)CC([NH3+])CC3(C)C)c2n1 ZINC001167624651 1082618011 /nfs/dbraw/zinc/61/80/11/1082618011.db2.gz CUQFXSHXSNLNJN-UHFFFAOYSA-N 2 1 314.433 3.123 20 0 DGADMP CCC(CC)[N@@H+]([C@@H]1CC[C@@H](C(=O)OC)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170526726 1082631107 /nfs/dbraw/zinc/63/11/07/1082631107.db2.gz QXRABWULQROTBG-MUIFIZLQSA-N 2 1 310.482 3.089 20 0 DGADMP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207706 1082839683 /nfs/dbraw/zinc/83/96/83/1082839683.db2.gz VZIJZBGJLFDSJK-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207706 1082839687 /nfs/dbraw/zinc/83/96/87/1082839687.db2.gz VZIJZBGJLFDSJK-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207706 1082839691 /nfs/dbraw/zinc/83/96/91/1082839691.db2.gz VZIJZBGJLFDSJK-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207705 1082839725 /nfs/dbraw/zinc/83/97/25/1082839725.db2.gz VZIJZBGJLFDSJK-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207705 1082839729 /nfs/dbraw/zinc/83/97/29/1082839729.db2.gz VZIJZBGJLFDSJK-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207705 1082839732 /nfs/dbraw/zinc/83/97/32/1082839732.db2.gz VZIJZBGJLFDSJK-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309707636 1082897388 /nfs/dbraw/zinc/89/73/88/1082897388.db2.gz IGWYGZHMKATMJD-KBAYOESNSA-N 2 1 304.503 3.240 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001493106329 1083052789 /nfs/dbraw/zinc/05/27/89/1083052789.db2.gz RAZYULABELQNKL-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170703412 1083178307 /nfs/dbraw/zinc/17/83/07/1083178307.db2.gz XCZJKDYPASHXSO-MRXNPFEDSA-N 2 1 308.416 3.240 20 0 DGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170736580 1083255248 /nfs/dbraw/zinc/25/52/48/1083255248.db2.gz AQDMRDAAKOTNMT-ACHSLPGTSA-N 2 1 314.473 3.380 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001167750678 1083621501 /nfs/dbraw/zinc/62/15/01/1083621501.db2.gz BTWODCXNVPPTPH-WBVHZDCISA-N 2 1 302.466 3.183 20 0 DGADMP CC[NH+]1CCC(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC001182160286 1083635646 /nfs/dbraw/zinc/63/56/46/1083635646.db2.gz GNROWDKJTMVYGP-IBGZPJMESA-N 2 1 313.489 3.203 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222538925 1083714970 /nfs/dbraw/zinc/71/49/70/1083714970.db2.gz RNLZMBHWAYAUGW-UHFFFAOYSA-N 2 1 314.832 3.390 20 0 DGADMP Cc1ncc(CN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)n1C ZINC001182666030 1083769348 /nfs/dbraw/zinc/76/93/48/1083769348.db2.gz JZSRFEUGDIBICE-GUDVDZBRSA-N 2 1 311.429 3.223 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC001183065549 1083871189 /nfs/dbraw/zinc/87/11/89/1083871189.db2.gz LWTDCXUOPMZOEK-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC001183065549 1083871201 /nfs/dbraw/zinc/87/12/01/1083871201.db2.gz LWTDCXUOPMZOEK-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001167787743 1083956302 /nfs/dbraw/zinc/95/63/02/1083956302.db2.gz GHINVAKEEQGZAB-UHFFFAOYSA-N 2 1 314.408 3.319 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001167834155 1084149565 /nfs/dbraw/zinc/14/95/65/1084149565.db2.gz IHYGXAOZXQXNCG-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001167835229 1084157127 /nfs/dbraw/zinc/15/71/27/1084157127.db2.gz PIIIUEVOAZXEPD-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184386958 1084168298 /nfs/dbraw/zinc/16/82/98/1084168298.db2.gz FIVDVUIMRVRJAV-RKTXRCNFSA-N 2 1 304.503 3.269 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(c4ccc(O)cc4)CC3)[C@@H]2C1 ZINC001184387080 1084168434 /nfs/dbraw/zinc/16/84/34/1084168434.db2.gz HCINNMIMPQASPR-VYUGGJHGSA-N 2 1 314.473 3.348 20 0 DGADMP CCOC(=O)[C@@]1(C)CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167840663 1084173333 /nfs/dbraw/zinc/17/33/33/1084173333.db2.gz HCZZQTDZZXFYLO-AEFFLSMTSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001167841083 1084176799 /nfs/dbraw/zinc/17/67/99/1084176799.db2.gz KCVBQXSRFUQSQR-UYAOXDASSA-N 2 1 318.505 3.440 20 0 DGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167842007 1084183554 /nfs/dbraw/zinc/18/35/54/1084183554.db2.gz VRSXLJAITVXJQY-OWSLCNJRSA-N 2 1 324.509 3.161 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C)o2)C1 ZINC001167842421 1084188578 /nfs/dbraw/zinc/18/85/78/1084188578.db2.gz XCCDLBJHJJYWNV-ZBFHGGJFSA-N 2 1 308.470 3.068 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303174 1084226251 /nfs/dbraw/zinc/22/62/51/1084226251.db2.gz AJXFVYUHGDMKEI-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303174 1084226259 /nfs/dbraw/zinc/22/62/59/1084226259.db2.gz AJXFVYUHGDMKEI-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C)c(C)n1 ZINC001268741236 1085013535 /nfs/dbraw/zinc/01/35/35/1085013535.db2.gz XQNUNOWJUFZYND-OAHLLOKOSA-N 2 1 319.493 3.493 20 0 DGADMP CC(C)[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)C ZINC001167962480 1085768993 /nfs/dbraw/zinc/76/89/93/1085768993.db2.gz YGZZRCFHDNBBQY-YQQQUEKLSA-N 2 1 307.526 3.100 20 0 DGADMP [NH3+]CCCN(C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963689 1085818153 /nfs/dbraw/zinc/81/81/53/1085818153.db2.gz BDOHMHGFFLEEIV-YOFSQIOKSA-N 2 1 319.537 3.375 20 0 DGADMP [NH3+]CCC[N@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963689 1085818161 /nfs/dbraw/zinc/81/81/61/1085818161.db2.gz BDOHMHGFFLEEIV-YOFSQIOKSA-N 3 1 319.537 3.375 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963689 1085818172 /nfs/dbraw/zinc/81/81/72/1085818172.db2.gz BDOHMHGFFLEEIV-YOFSQIOKSA-N 3 1 319.537 3.375 20 0 DGADMP [NH3+]CCC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963689 1085818178 /nfs/dbraw/zinc/81/81/78/1085818178.db2.gz BDOHMHGFFLEEIV-YOFSQIOKSA-N 3 1 319.537 3.375 20 0 DGADMP [NH3+]CCC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963689 1085818185 /nfs/dbraw/zinc/81/81/85/1085818185.db2.gz BDOHMHGFFLEEIV-YOFSQIOKSA-N 3 1 319.537 3.375 20 0 DGADMP C[C@H](C[NH+]1CCC(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967097 1085887796 /nfs/dbraw/zinc/88/77/96/1085887796.db2.gz BHEDXCHDGCBISX-VOBGVNJCSA-N 2 1 319.537 3.102 20 0 DGADMP Cc1ccnc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167967477 1085890122 /nfs/dbraw/zinc/89/01/22/1085890122.db2.gz FERVXQUPKGIBTR-IHWFROFDSA-N 2 1 313.489 3.318 20 0 DGADMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C(C)(C)N1O ZINC001167969292 1085900043 /nfs/dbraw/zinc/90/00/43/1085900043.db2.gz BEPYDSSHSNEIJT-HMQMGEFJSA-N 2 1 321.509 3.002 20 0 DGADMP C[C@H](Cc1cccc(O)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974254 1085913760 /nfs/dbraw/zinc/91/37/60/1085913760.db2.gz SNJNCQNBJJFBEF-FMJMRLDVSA-N 2 1 314.473 3.318 20 0 DGADMP F[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1(F)F ZINC001167983339 1085937512 /nfs/dbraw/zinc/93/75/12/1085937512.db2.gz GBEIGGWCGXDOOC-VFSICIBPSA-N 2 1 316.411 3.461 20 0 DGADMP F[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1(F)F ZINC001167983339 1085937524 /nfs/dbraw/zinc/93/75/24/1085937524.db2.gz GBEIGGWCGXDOOC-VFSICIBPSA-N 2 1 316.411 3.461 20 0 DGADMP c1ccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)nc1 ZINC001167996071 1086067755 /nfs/dbraw/zinc/06/77/55/1086067755.db2.gz WDDMACUYDZHKNE-HTUJPFKRSA-N 2 1 311.473 3.276 20 0 DGADMP c1ccc([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001167996071 1086067763 /nfs/dbraw/zinc/06/77/63/1086067763.db2.gz WDDMACUYDZHKNE-HTUJPFKRSA-N 2 1 311.473 3.276 20 0 DGADMP c1ccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001167996071 1086067768 /nfs/dbraw/zinc/06/77/68/1086067768.db2.gz WDDMACUYDZHKNE-HTUJPFKRSA-N 2 1 311.473 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017883 1086324580 /nfs/dbraw/zinc/32/45/80/1086324580.db2.gz XTEDNGABHLTNRM-NBMJBFSESA-N 2 1 318.505 3.425 20 0 DGADMP C[C@H]1CC([NH+]2CCC(C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039649 1086498469 /nfs/dbraw/zinc/49/84/69/1086498469.db2.gz GUUUJGGMUWTDBY-IRXDYDNUSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1O ZINC001168040253 1086501952 /nfs/dbraw/zinc/50/19/52/1086501952.db2.gz LRKSOXSSMKNKRK-WOCWXWTJSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1O ZINC001168040253 1086501959 /nfs/dbraw/zinc/50/19/59/1086501959.db2.gz LRKSOXSSMKNKRK-WOCWXWTJSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C[C@H]1O ZINC001168040249 1086502069 /nfs/dbraw/zinc/50/20/69/1086502069.db2.gz LRKSOXSSMKNKRK-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1O ZINC001168040249 1086502078 /nfs/dbraw/zinc/50/20/78/1086502078.db2.gz LRKSOXSSMKNKRK-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1O ZINC001168040249 1086502084 /nfs/dbraw/zinc/50/20/84/1086502084.db2.gz LRKSOXSSMKNKRK-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1O ZINC001168040249 1086502090 /nfs/dbraw/zinc/50/20/90/1086502090.db2.gz LRKSOXSSMKNKRK-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1O ZINC001168040249 1086502095 /nfs/dbraw/zinc/50/20/95/1086502095.db2.gz LRKSOXSSMKNKRK-HPUSYDDDSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[C@@H](n2cnc3c2C[NH2+]CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041601 1086510443 /nfs/dbraw/zinc/51/04/43/1086510443.db2.gz UFSKPBLDRXBKLY-ALXJQNPVSA-N 2 1 324.472 3.143 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042044 1086511867 /nfs/dbraw/zinc/51/18/67/1086511867.db2.gz YFSDPZQSOARNEZ-DWRORGKVSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042044 1086511870 /nfs/dbraw/zinc/51/18/70/1086511870.db2.gz YFSDPZQSOARNEZ-DWRORGKVSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC001648968621 1086518731 /nfs/dbraw/zinc/51/87/31/1086518731.db2.gz GBSJKZBKCMUGGZ-UHFFFAOYSA-N 2 1 309.360 3.200 20 0 DGADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OCC(C)C ZINC001648969226 1086518861 /nfs/dbraw/zinc/51/88/61/1086518861.db2.gz LOXQXTPTWCKERI-UHFFFAOYSA-N 2 1 317.433 3.025 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056887 1086627641 /nfs/dbraw/zinc/62/76/41/1086627641.db2.gz JODWKGDNNSTDQS-AXVVYFOYSA-N 2 1 316.489 3.395 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001168070144 1086724825 /nfs/dbraw/zinc/72/48/25/1086724825.db2.gz BYSYWFRYXNZQFJ-XCZFOBESSA-N 2 1 314.473 3.339 20 0 DGADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088327512 1086795968 /nfs/dbraw/zinc/79/59/68/1086795968.db2.gz OUEREZFAAHTVOL-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168166895 1087008491 /nfs/dbraw/zinc/00/84/91/1087008491.db2.gz NMXZNMPRCXHKLM-KBRIMQKVSA-N 2 1 322.880 3.242 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001168183573 1087029136 /nfs/dbraw/zinc/02/91/36/1087029136.db2.gz GNJYQXSBQNZWHY-OAHLLOKOSA-N 2 1 302.466 3.010 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)C2CCC(C)CC2)nc(C)[nH+]1 ZINC001168224345 1087062210 /nfs/dbraw/zinc/06/22/10/1087062210.db2.gz MCCNXOCGIOLMHP-UHFFFAOYSA-N 2 1 302.466 3.231 20 0 DGADMP CC(C)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001168295086 1087285342 /nfs/dbraw/zinc/28/53/42/1087285342.db2.gz UJMREEKPMSUYBN-GPANFISMSA-N 2 1 312.498 3.205 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC001168306114 1087288591 /nfs/dbraw/zinc/28/85/91/1087288591.db2.gz QONDVTUVHONUBD-YMAMQOFZSA-N 2 1 312.498 3.205 20 0 DGADMP c1coc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC001168369116 1087432475 /nfs/dbraw/zinc/43/24/75/1087432475.db2.gz XBEAMFBQUUUDQO-UHFFFAOYSA-N 2 1 311.429 3.306 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C1CC[NH+](CC2CC2)CC1 ZINC001168387628 1087547923 /nfs/dbraw/zinc/54/79/23/1087547923.db2.gz MSKCAICXWQNAJC-PMACEKPBSA-N 2 1 319.537 3.200 20 0 DGADMP COc1ccccc1CC[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168390304 1087548961 /nfs/dbraw/zinc/54/89/61/1087548961.db2.gz GSADUUVTGQTUDC-UHFFFAOYSA-N 2 1 302.462 3.044 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168391665 1087550008 /nfs/dbraw/zinc/55/00/08/1087550008.db2.gz MLOBPANITCJEJE-FQEVSTJZSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168391665 1087550010 /nfs/dbraw/zinc/55/00/10/1087550010.db2.gz MLOBPANITCJEJE-FQEVSTJZSA-N 2 1 314.473 3.152 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168411117 1087574501 /nfs/dbraw/zinc/57/45/01/1087574501.db2.gz GDDPEMWHWPMZKC-MKXGPGLRSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168411117 1087574502 /nfs/dbraw/zinc/57/45/02/1087574502.db2.gz GDDPEMWHWPMZKC-MKXGPGLRSA-N 2 1 302.437 3.288 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc1NC1CC1 ZINC001158259728 1087747775 /nfs/dbraw/zinc/74/77/75/1087747775.db2.gz SFCAHGVDOIIRCL-KDOFPFPSSA-N 2 1 317.481 3.315 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@](C)(C[NH3+])C2)nc1 ZINC001158683799 1087978309 /nfs/dbraw/zinc/97/83/09/1087978309.db2.gz JKICRAZAURJCKP-HKUYNNGSSA-N 2 1 316.493 3.194 20 0 DGADMP CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153446164 1088249580 /nfs/dbraw/zinc/24/95/80/1088249580.db2.gz QPNYNAUZTMUIKR-HZPDHXFCSA-N 2 1 322.497 3.023 20 0 DGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153446164 1088249587 /nfs/dbraw/zinc/24/95/87/1088249587.db2.gz QPNYNAUZTMUIKR-HZPDHXFCSA-N 2 1 322.497 3.023 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153728944 1088339014 /nfs/dbraw/zinc/33/90/14/1088339014.db2.gz VOMZYPJCIOINTG-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153728944 1088339027 /nfs/dbraw/zinc/33/90/27/1088339027.db2.gz VOMZYPJCIOINTG-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153728944 1088339038 /nfs/dbraw/zinc/33/90/38/1088339038.db2.gz VOMZYPJCIOINTG-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001159538245 1088383966 /nfs/dbraw/zinc/38/39/66/1088383966.db2.gz NGEBQCBJHQMKKZ-BBWFWOEESA-N 2 1 302.466 3.310 20 0 DGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033480 1088446487 /nfs/dbraw/zinc/44/64/87/1088446487.db2.gz AIGLWSFILOXAOJ-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033480 1088446501 /nfs/dbraw/zinc/44/65/01/1088446501.db2.gz AIGLWSFILOXAOJ-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033480 1088446514 /nfs/dbraw/zinc/44/65/14/1088446514.db2.gz AIGLWSFILOXAOJ-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033483 1088446719 /nfs/dbraw/zinc/44/67/19/1088446719.db2.gz AIGLWSFILOXAOJ-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033483 1088446730 /nfs/dbraw/zinc/44/67/30/1088446730.db2.gz AIGLWSFILOXAOJ-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033483 1088446740 /nfs/dbraw/zinc/44/67/40/1088446740.db2.gz AIGLWSFILOXAOJ-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c(Br)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC001235938453 1088482896 /nfs/dbraw/zinc/48/28/96/1088482896.db2.gz KKKNJEGOKOFHDY-LSDHHAIUSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1c(Br)ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC001235938453 1088482900 /nfs/dbraw/zinc/48/29/00/1088482900.db2.gz KKKNJEGOKOFHDY-LSDHHAIUSA-N 2 1 323.278 3.107 20 0 DGADMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001235963106 1088494340 /nfs/dbraw/zinc/49/43/40/1088494340.db2.gz QHGUOFGHBMQTIA-JKSUJKDBSA-N 2 1 300.462 3.341 20 0 DGADMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235963106 1088494346 /nfs/dbraw/zinc/49/43/46/1088494346.db2.gz QHGUOFGHBMQTIA-JKSUJKDBSA-N 2 1 300.462 3.341 20 0 DGADMP c1[nH]c2ccc(Nc3ccccc3OC3CC[NH2+]CC3)cc2[nH+]1 ZINC001159806200 1088496505 /nfs/dbraw/zinc/49/65/05/1088496505.db2.gz YYAGBQRYCLJZKN-UHFFFAOYSA-N 2 1 308.385 3.437 20 0 DGADMP c1ccc2c(Nc3ccc(O[C@H]4CC[NH2+]C4)cc3)cc[nH+]c2c1 ZINC001159919507 1088549050 /nfs/dbraw/zinc/54/90/50/1088549050.db2.gz LKOYWOJDNQJUJU-INIZCTEOSA-N 2 1 305.381 3.141 20 0 DGADMP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc4[nH]ccc4c[nH+]3)c2C1 ZINC001159948626 1088565724 /nfs/dbraw/zinc/56/57/24/1088565724.db2.gz WKHKOTMCKWTEFH-ZDUSSCGKSA-N 2 1 302.381 3.323 20 0 DGADMP Fc1cc(Nc2cc[nH+]c3ccccc23)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160162648 1088679721 /nfs/dbraw/zinc/67/97/21/1088679721.db2.gz PNPUWFYJCCJJFU-CQSZACIVSA-N 2 1 323.371 3.280 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236215171 1088712972 /nfs/dbraw/zinc/71/29/72/1088712972.db2.gz WQPMXFWEQNNIHL-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236215171 1088712991 /nfs/dbraw/zinc/71/29/91/1088712991.db2.gz WQPMXFWEQNNIHL-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1[nH]c2nc[nH+]c(N(Cc3ccccc3)C[C@@H](C)C[NH3+])c2c1C ZINC001160661930 1088908130 /nfs/dbraw/zinc/90/81/30/1088908130.db2.gz LDRGOJVOMXMWBQ-ZDUSSCGKSA-N 2 1 323.444 3.176 20 0 DGADMP COc1ccc2c(C)cc(NC[C@@]3(F)CCCC[NH2+]C3)[nH+]c2c1 ZINC001155116403 1088955950 /nfs/dbraw/zinc/95/59/50/1088955950.db2.gz ITRQLTPIWCETSQ-GOSISDBHSA-N 2 1 317.408 3.446 20 0 DGADMP c1cc(C[NH+]2CCC(Nc3ccc4c([nH+]3)CCC4)CC2)ccn1 ZINC001161101362 1089114503 /nfs/dbraw/zinc/11/45/03/1089114503.db2.gz YINWFOANDQGRIO-UHFFFAOYSA-N 2 1 308.429 3.042 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](Nc3cc4[nH]ccc4c[nH+]3)C2)c1 ZINC001161188401 1089147228 /nfs/dbraw/zinc/14/72/28/1089147228.db2.gz XLHCXIPFFUEYTO-INIZCTEOSA-N 2 1 322.412 3.258 20 0 DGADMP Nc1ccc(NCC2CC[NH+](Cc3ccccc3F)CC2)[nH+]c1 ZINC001161193262 1089150751 /nfs/dbraw/zinc/15/07/51/1089150751.db2.gz HIDYNLHEIPCFEK-UHFFFAOYSA-N 2 1 314.408 3.127 20 0 DGADMP CCc1nc(NCC2CC[NH+](CC3CCC3)CC2)cc(C)[nH+]1 ZINC001161234526 1089162893 /nfs/dbraw/zinc/16/28/93/1089162893.db2.gz SIDMNLLCKAORLK-UHFFFAOYSA-N 2 1 302.466 3.271 20 0 DGADMP Cc1c[nH+]c(NCC2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC001161242937 1089165888 /nfs/dbraw/zinc/16/58/88/1089165888.db2.gz KEFZBVSNTWHQAU-UHFFFAOYSA-N 2 1 310.445 3.418 20 0 DGADMP Cc1cc2ccccc2c(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]1 ZINC001161280826 1089175402 /nfs/dbraw/zinc/17/54/02/1089175402.db2.gz KCPJPDHHPXPGQO-WKILWMFISA-N 2 1 311.429 3.018 20 0 DGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155598561 1089180825 /nfs/dbraw/zinc/18/08/25/1089180825.db2.gz QKAYKKNCIICXOA-HNAYVOBHSA-N 2 1 311.429 3.114 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612250 1089185349 /nfs/dbraw/zinc/18/53/49/1089185349.db2.gz RGDYLMRMCSTWSA-MSOLQXFVSA-N 2 1 323.525 3.044 20 0 DGADMP c1ccc(CC2(Nc3cc(C4CC4)cc[nH+]3)CC[NH2+]CC2)nc1 ZINC001161495562 1089264061 /nfs/dbraw/zinc/26/40/61/1089264061.db2.gz VMFGMJBYRLMNOD-UHFFFAOYSA-N 2 1 308.429 3.131 20 0 DGADMP c1cnc(C2CC[NH2+]CC2)c(CNc2cccc(C3CC3)[nH+]2)c1 ZINC001156001022 1089339703 /nfs/dbraw/zinc/33/97/03/1089339703.db2.gz HNYDVXHLRUKMNZ-UHFFFAOYSA-N 2 1 308.429 3.433 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2CC[NH+](C)C2)nc1 ZINC001156581485 1089592588 /nfs/dbraw/zinc/59/25/88/1089592588.db2.gz QOSOJLINWNIEOU-DLBZAZTESA-N 2 1 302.466 3.135 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N[C@H]2CC[N@H+](C)C2)nc1 ZINC001156581485 1089592604 /nfs/dbraw/zinc/59/26/04/1089592604.db2.gz QOSOJLINWNIEOU-DLBZAZTESA-N 2 1 302.466 3.135 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N[C@H]2CC[N@@H+](C)C2)nc1 ZINC001156581485 1089592618 /nfs/dbraw/zinc/59/26/18/1089592618.db2.gz QOSOJLINWNIEOU-DLBZAZTESA-N 2 1 302.466 3.135 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cccc1C1CCOCC1 ZINC001162461727 1089745940 /nfs/dbraw/zinc/74/59/40/1089745940.db2.gz QWBLEWJRXBWXOL-GDBMZVCRSA-N 2 1 303.450 3.023 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc3c2CC[NH2+]C3)nc1 ZINC001157453924 1089973236 /nfs/dbraw/zinc/97/32/36/1089973236.db2.gz NYITWSVAXXUFQT-QGZVFWFLSA-N 2 1 310.445 3.065 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H]([NH3+])Cc3ccccc32)nc1 ZINC001162847574 1089990684 /nfs/dbraw/zinc/99/06/84/1089990684.db2.gz UDMQSONLASRHMR-MSOLQXFVSA-N 2 1 322.456 3.260 20 0 DGADMP COc1cc2[nH+]ccn2cc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162908857 1090017640 /nfs/dbraw/zinc/01/76/40/1090017640.db2.gz RWBJDVHBNDLRKL-LBPRGKRZSA-N 2 1 306.369 3.307 20 0 DGADMP COC(=O)c1c(C)cc(C)nc1N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163361062 1090162456 /nfs/dbraw/zinc/16/24/56/1090162456.db2.gz GPTVCSIVHAYLBF-DZGCQCFKSA-N 2 1 319.449 3.016 20 0 DGADMP CCN(c1ccc([C@@H]2CCCC[N@H+]2CC)cn1)[C@@H]1CCC[NH2+]C1 ZINC001158207531 1090201612 /nfs/dbraw/zinc/20/16/12/1090201612.db2.gz OHOXJDZYNMZTDI-MSOLQXFVSA-N 2 1 316.493 3.207 20 0 DGADMP CC[NH+](CC)Cc1cc(OC)ccc1NCCn1cc[nH+]c1C ZINC001163933071 1090291107 /nfs/dbraw/zinc/29/11/07/1090291107.db2.gz MFMRVBITLRHXCL-UHFFFAOYSA-N 2 1 316.449 3.154 20 0 DGADMP CC[NH+](CC)Cc1cc(NCCn2cc[nH+]c2C)ccc1OC ZINC001163933785 1090291546 /nfs/dbraw/zinc/29/15/46/1090291546.db2.gz YEEZOUHJKMBALB-UHFFFAOYSA-N 2 1 316.449 3.154 20 0 DGADMP Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1N ZINC001164486485 1090431778 /nfs/dbraw/zinc/43/17/78/1090431778.db2.gz ONIJFDYVRSGUNL-OKZBNKHCSA-N 2 1 322.456 3.295 20 0 DGADMP COc1ccc2c[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)cc2c1 ZINC001165246590 1090487838 /nfs/dbraw/zinc/48/78/38/1090487838.db2.gz IPCMGZBVLSWULR-UHFFFAOYSA-N 2 1 311.429 3.356 20 0 DGADMP COc1ccc2[nH+]c(C)cc(NCC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC001165289912 1090496976 /nfs/dbraw/zinc/49/69/76/1090496976.db2.gz LRMZFTWEMPJMIZ-HNNXBMFYSA-N 2 1 313.445 3.118 20 0 DGADMP C[NH+]1CCC(COc2ccc(Nc3ccc[nH+]c3N)cc2)CC1 ZINC001212408841 1090630488 /nfs/dbraw/zinc/63/04/88/1090630488.db2.gz OULLRYJQKAKBMN-UHFFFAOYSA-N 2 1 312.417 3.128 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168667972 1090688831 /nfs/dbraw/zinc/68/88/31/1090688831.db2.gz BKPMLFAHGORONQ-MJGOQNOKSA-N 2 1 320.477 3.189 20 0 DGADMP NCC[N@H+](Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168676143 1090699824 /nfs/dbraw/zinc/69/98/24/1090699824.db2.gz ITJVWACCAVKSLB-INIZCTEOSA-N 2 1 300.833 3.268 20 0 DGADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCO1 ZINC001276428185 1090835301 /nfs/dbraw/zinc/83/53/01/1090835301.db2.gz CSUUUEBRMNNGIT-DKUMPPAJSA-N 2 1 320.399 3.093 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(NC(C)=O)cc2)CC1 ZINC001203929236 1090841641 /nfs/dbraw/zinc/84/16/41/1090841641.db2.gz DMUUTGBFRCGDIS-UHFFFAOYSA-N 2 1 317.477 3.341 20 0 DGADMP C([C@H]1CCCO1)[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276434440 1090863932 /nfs/dbraw/zinc/86/39/32/1090863932.db2.gz RRSFGOOZANQEIH-RTBURBONSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276434440 1090863942 /nfs/dbraw/zinc/86/39/42/1090863942.db2.gz RRSFGOOZANQEIH-RTBURBONSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276434440 1090863949 /nfs/dbraw/zinc/86/39/49/1090863949.db2.gz RRSFGOOZANQEIH-RTBURBONSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1ccsc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001204019520 1090871454 /nfs/dbraw/zinc/87/14/54/1090871454.db2.gz HRWGUYCKVCAYCU-UHFFFAOYSA-N 2 1 301.459 3.499 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(C)s2)CC1 ZINC001204033065 1090877614 /nfs/dbraw/zinc/87/76/14/1090877614.db2.gz FLFAKIWTPLMVCL-INIZCTEOSA-N 2 1 308.491 3.132 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCCCO1)Cc1ccccc12 ZINC001276445136 1090910450 /nfs/dbraw/zinc/91/04/50/1090910450.db2.gz ZASYBJFGVSGMAO-GOSISDBHSA-N 2 1 314.473 3.035 20 0 DGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)cc1 ZINC001204166576 1090911752 /nfs/dbraw/zinc/91/17/52/1090911752.db2.gz YDVCDILFUSHYEI-UHFFFAOYSA-N 2 1 320.477 3.127 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)cc1 ZINC001204166576 1090911755 /nfs/dbraw/zinc/91/17/55/1090911755.db2.gz YDVCDILFUSHYEI-UHFFFAOYSA-N 2 1 320.477 3.127 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C2CC(F)(F)C2)cc1 ZINC001204266817 1090937433 /nfs/dbraw/zinc/93/74/33/1090937433.db2.gz NJFWUOVNNRPJLC-UHFFFAOYSA-N 2 1 312.404 3.247 20 0 DGADMP CCCO[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204266872 1090937530 /nfs/dbraw/zinc/93/75/30/1090937530.db2.gz AKIQXFUHVJJLCE-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP CC/C=C\CCC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276465334 1090970644 /nfs/dbraw/zinc/97/06/44/1090970644.db2.gz GRLHYGZVCFIIQI-ARJAWSKDSA-N 2 1 316.493 3.444 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(C)C)cc3)C[C@@H]2C1 ZINC001204457483 1090974124 /nfs/dbraw/zinc/97/41/24/1090974124.db2.gz HHVNJGSOIDZYFA-ROUUACIJSA-N 2 1 302.462 3.247 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC001204497080 1090983128 /nfs/dbraw/zinc/98/31/28/1090983128.db2.gz LKKXAKYLNHZYEK-QUCCMNQESA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497080 1090983137 /nfs/dbraw/zinc/98/31/37/1090983137.db2.gz LKKXAKYLNHZYEK-QUCCMNQESA-N 2 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497080 1090983140 /nfs/dbraw/zinc/98/31/40/1090983140.db2.gz LKKXAKYLNHZYEK-QUCCMNQESA-N 2 1 321.553 3.305 20 0 DGADMP CC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)C1CCCCC1 ZINC001204599162 1091005224 /nfs/dbraw/zinc/00/52/24/1091005224.db2.gz SAPMGRQESYRBMD-UHFFFAOYSA-N 2 1 301.478 3.251 20 0 DGADMP Brc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727733 1091023208 /nfs/dbraw/zinc/02/32/08/1091023208.db2.gz MERKQKGUNJRUJL-UHFFFAOYSA-N 2 1 323.278 3.415 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204748633 1091028625 /nfs/dbraw/zinc/02/86/25/1091028625.db2.gz NOSYQLGXEAGSAR-UHFFFAOYSA-N 2 1 302.462 3.278 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CCO1 ZINC001204755682 1091031040 /nfs/dbraw/zinc/03/10/40/1091031040.db2.gz HMIAZJPIGWEHAS-LJQANCHMSA-N 2 1 314.404 3.042 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001204919092 1091063359 /nfs/dbraw/zinc/06/33/59/1091063359.db2.gz UOBOWLBCONYXJX-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001204919092 1091063367 /nfs/dbraw/zinc/06/33/67/1091063367.db2.gz UOBOWLBCONYXJX-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001204919093 1091063506 /nfs/dbraw/zinc/06/35/06/1091063506.db2.gz UOBOWLBCONYXJX-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001204919093 1091063514 /nfs/dbraw/zinc/06/35/14/1091063514.db2.gz UOBOWLBCONYXJX-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150697 1091113503 /nfs/dbraw/zinc/11/35/03/1091113503.db2.gz HQHOTOALFUSOQN-QWHCGFSZSA-N 2 1 311.267 3.093 20 0 DGADMP Cc1ccc2cc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc2c1 ZINC001205135940 1091110111 /nfs/dbraw/zinc/11/01/11/1091110111.db2.gz IODKEHNLSZGUGF-SWLSCSKDSA-N 2 1 303.837 3.223 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc2c1 ZINC001205135940 1091110112 /nfs/dbraw/zinc/11/01/12/1091110112.db2.gz IODKEHNLSZGUGF-SWLSCSKDSA-N 2 1 303.837 3.223 20 0 DGADMP CCc1cccc2cc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc21 ZINC001205135864 1091110150 /nfs/dbraw/zinc/11/01/50/1091110150.db2.gz ADLALDJKFQUGGP-BLLLJJGKSA-N 2 1 317.864 3.477 20 0 DGADMP CCc1cccc2cc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc21 ZINC001205135864 1091110152 /nfs/dbraw/zinc/11/01/52/1091110152.db2.gz ADLALDJKFQUGGP-BLLLJJGKSA-N 2 1 317.864 3.477 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150697 1091113500 /nfs/dbraw/zinc/11/35/00/1091113500.db2.gz HQHOTOALFUSOQN-QWHCGFSZSA-N 2 1 311.267 3.093 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C[C@H]1C[NH3+] ZINC001205156053 1091114528 /nfs/dbraw/zinc/11/45/28/1091114528.db2.gz MVTGJGDCGVZUIK-GOEBONIOSA-N 2 1 312.413 3.211 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)Cc2ccccc21 ZINC001205164253 1091116185 /nfs/dbraw/zinc/11/61/85/1091116185.db2.gz BMGQJDFOVWLQFT-KRWDZBQOSA-N 2 1 321.468 3.216 20 0 DGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001205164415 1091116541 /nfs/dbraw/zinc/11/65/41/1091116541.db2.gz FQJPERFFMSVRKD-QGZVFWFLSA-N 2 1 321.468 3.216 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3nccnc23)CC1 ZINC001138307709 1091135622 /nfs/dbraw/zinc/13/56/22/1091135622.db2.gz IQPIGBBYTVXIIR-UHFFFAOYSA-N 2 1 310.445 3.080 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](CCc2cccc(Br)c2)CC1 ZINC001205254773 1091151838 /nfs/dbraw/zinc/15/18/38/1091151838.db2.gz BBMAZAGLUQAGFK-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2cccc(Br)c2)CC1 ZINC001205254773 1091151844 /nfs/dbraw/zinc/15/18/44/1091151844.db2.gz BBMAZAGLUQAGFK-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205273205 1091159112 /nfs/dbraw/zinc/15/91/12/1091159112.db2.gz HTTFEMQAAYEZKZ-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205273205 1091159121 /nfs/dbraw/zinc/15/91/21/1091159121.db2.gz HTTFEMQAAYEZKZ-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nc3ccccc3n2C)CC1 ZINC001138379582 1091159916 /nfs/dbraw/zinc/15/99/16/1091159916.db2.gz YCRKQSMKSQJTSA-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Br ZINC001205274116 1091160795 /nfs/dbraw/zinc/16/07/95/1091160795.db2.gz UHFSNARHEBUVGF-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Br ZINC001205274116 1091160797 /nfs/dbraw/zinc/16/07/97/1091160797.db2.gz UHFSNARHEBUVGF-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC001205296706 1091169938 /nfs/dbraw/zinc/16/99/38/1091169938.db2.gz SSZAAAZUVGXCSD-IEBWSBKVSA-N 2 1 304.478 3.290 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305141 1091176643 /nfs/dbraw/zinc/17/66/43/1091176643.db2.gz RFHBRMLOXLKUCE-JSGCOSHPSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305141 1091176646 /nfs/dbraw/zinc/17/66/46/1091176646.db2.gz RFHBRMLOXLKUCE-JSGCOSHPSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC001205314924 1091179773 /nfs/dbraw/zinc/17/97/73/1091179773.db2.gz DOVCIJKILHKGHN-YOEHRIQHSA-N 2 1 313.420 3.304 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC001205315401 1091180602 /nfs/dbraw/zinc/18/06/02/1091180602.db2.gz FXXLECPTHFWYNU-TZMCWYRMSA-N 2 1 304.459 3.327 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205330908 1091188473 /nfs/dbraw/zinc/18/84/73/1091188473.db2.gz AGRJAFFQZQHUCY-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205330908 1091188477 /nfs/dbraw/zinc/18/84/77/1091188477.db2.gz AGRJAFFQZQHUCY-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC1CC[NH+](C)CC1)[C@@H]2C ZINC001205353049 1091196792 /nfs/dbraw/zinc/19/67/92/1091196792.db2.gz AZBDSSLVJGFZRJ-LSDHHAIUSA-N 2 1 302.462 3.345 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)cc1 ZINC001138517308 1091212536 /nfs/dbraw/zinc/21/25/36/1091212536.db2.gz CTESUHPOWXADSQ-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc2)cc1 ZINC001138517308 1091212544 /nfs/dbraw/zinc/21/25/44/1091212544.db2.gz CTESUHPOWXADSQ-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc2)cc1 ZINC001138517308 1091212557 /nfs/dbraw/zinc/21/25/57/1091212557.db2.gz CTESUHPOWXADSQ-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001138550389 1091224498 /nfs/dbraw/zinc/22/44/98/1091224498.db2.gz RUXVXTINEKPPDS-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001138550389 1091224506 /nfs/dbraw/zinc/22/45/06/1091224506.db2.gz RUXVXTINEKPPDS-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCc2cccnc2)cc1 ZINC001138547977 1091225068 /nfs/dbraw/zinc/22/50/68/1091225068.db2.gz YNAGBUOWQZWPKL-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCc2cccnc2)cc1 ZINC001138547977 1091225080 /nfs/dbraw/zinc/22/50/80/1091225080.db2.gz YNAGBUOWQZWPKL-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC(c3cccnc3)C2)cc1 ZINC001138549097 1091226033 /nfs/dbraw/zinc/22/60/33/1091226033.db2.gz QYPZDJUHLYCGCF-UHFFFAOYSA-N 2 1 304.397 3.175 20 0 DGADMP COc1ccc2c(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)c[nH]c2c1 ZINC001138589744 1091244121 /nfs/dbraw/zinc/24/41/21/1091244121.db2.gz JCQLXLBPWRXKQU-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205545390 1091247349 /nfs/dbraw/zinc/24/73/49/1091247349.db2.gz GDLHBXRFHCXJSI-OAHLLOKOSA-N 2 1 318.358 3.401 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001205545844 1091247584 /nfs/dbraw/zinc/24/75/84/1091247584.db2.gz NTNVBRKXGKWHCR-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2OC(F)(F)F)CC1 ZINC001205546044 1091247790 /nfs/dbraw/zinc/24/77/90/1091247790.db2.gz PLEAUICOJZLBBU-CQSZACIVSA-N 2 1 320.330 3.238 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001205545200 1091248557 /nfs/dbraw/zinc/24/85/57/1091248557.db2.gz AJUVFOKCRLOVCZ-LJQANCHMSA-N 2 1 319.468 3.056 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Cl ZINC001205559025 1091252928 /nfs/dbraw/zinc/25/29/28/1091252928.db2.gz NCXNTUGKCBUOLY-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001205559474 1091252999 /nfs/dbraw/zinc/25/29/99/1091252999.db2.gz RLSLZPRZJFJFOF-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1OCC ZINC001205559013 1091253462 /nfs/dbraw/zinc/25/34/62/1091253462.db2.gz NBEGGXIAWZQJFD-GOSISDBHSA-N 2 1 324.440 3.137 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001205560024 1091255293 /nfs/dbraw/zinc/25/52/93/1091255293.db2.gz YHIRGPHSCIHFOY-LBPRGKRZSA-N 2 1 321.259 3.164 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205570717 1091259327 /nfs/dbraw/zinc/25/93/27/1091259327.db2.gz NACQGTPJTBZAEV-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001205570453 1091260177 /nfs/dbraw/zinc/26/01/77/1091260177.db2.gz KDYITXGLLKZSGQ-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205579301 1091265259 /nfs/dbraw/zinc/26/52/59/1091265259.db2.gz MOXUVAGGEUPOBM-AWEZNQCLSA-N 2 1 320.239 3.350 20 0 DGADMP Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205579301 1091265264 /nfs/dbraw/zinc/26/52/64/1091265264.db2.gz MOXUVAGGEUPOBM-AWEZNQCLSA-N 2 1 320.239 3.350 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591284 1091270143 /nfs/dbraw/zinc/27/01/43/1091270143.db2.gz JPYRBGAUBXIGEI-KRWDZBQOSA-N 2 1 312.404 3.266 20 0 DGADMP Cn1ccc2c1cc[nH+]c2-c1ccc(CC[NH+]2CCOCC2)cc1 ZINC001205606930 1091275718 /nfs/dbraw/zinc/27/57/18/1091275718.db2.gz OEZHLJLICZTDTG-UHFFFAOYSA-N 2 1 321.424 3.115 20 0 DGADMP CCSc1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001138654752 1091277468 /nfs/dbraw/zinc/27/74/68/1091277468.db2.gz FEVIQOFCECBOLD-UHFFFAOYSA-N 2 1 322.522 3.141 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(C)C ZINC001205617204 1091280689 /nfs/dbraw/zinc/28/06/89/1091280689.db2.gz IGNBGNPYGXJCSY-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2c(F)cc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205617682 1091282423 /nfs/dbraw/zinc/28/24/23/1091282423.db2.gz MIUDELPLXZDTHC-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205617682 1091282440 /nfs/dbraw/zinc/28/24/40/1091282440.db2.gz MIUDELPLXZDTHC-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC001205618195 1091283391 /nfs/dbraw/zinc/28/33/91/1091283391.db2.gz SOXRWXDXYKQUOE-GJZGRUSLSA-N 2 1 305.466 3.066 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC001205618812 1091283640 /nfs/dbraw/zinc/28/36/40/1091283640.db2.gz YYTKPUDGDAHYPG-HIFRSBDPSA-N 2 1 316.424 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@@H]1C[NH3+] ZINC001205618389 1091284526 /nfs/dbraw/zinc/28/45/26/1091284526.db2.gz VREUTIWIIXPSON-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1CC ZINC001205618693 1091284604 /nfs/dbraw/zinc/28/46/04/1091284604.db2.gz YGPMWITXMCXPQX-QAPCUYQASA-N 2 1 304.478 3.455 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC[C@@H]1C[NH3+] ZINC001205625225 1091285646 /nfs/dbraw/zinc/28/56/46/1091285646.db2.gz ACWHRNPZKQVZAT-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c2c1 ZINC001205627149 1091286359 /nfs/dbraw/zinc/28/63/59/1091286359.db2.gz NCXBAQOGIZUQNJ-CABCVRRESA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccsc2Br)CC[C@@H]1C[NH3+] ZINC001205638976 1091290243 /nfs/dbraw/zinc/29/02/43/1091290243.db2.gz UDZVYSARYMSAPR-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205639046 1091292595 /nfs/dbraw/zinc/29/25/95/1091292595.db2.gz VFAHFMGPAZXQAY-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2csc(-c3ccncc3)n2)CC[C@H]1C[NH3+] ZINC001205653372 1091299215 /nfs/dbraw/zinc/29/92/15/1091299215.db2.gz TZLAPSAQFDZTNH-ZFWWWQNUSA-N 2 1 316.474 3.012 20 0 DGADMP COc1cc(C)c(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)c1C ZINC001138727914 1091304822 /nfs/dbraw/zinc/30/48/22/1091304822.db2.gz XCSKWTRPNFBHLT-FUHWJXTLSA-N 2 1 302.462 3.146 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276395366 1091304891 /nfs/dbraw/zinc/30/48/91/1091304891.db2.gz GUZQYWWBCGWCSJ-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001205688399 1091313646 /nfs/dbraw/zinc/31/36/46/1091313646.db2.gz HLOBPEUAKMEKQM-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC001138772098 1091322258 /nfs/dbraw/zinc/32/22/58/1091322258.db2.gz OQJSAMOSGFWJJM-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP Cc1ccc2c(c1)CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138774062 1091324663 /nfs/dbraw/zinc/32/46/63/1091324663.db2.gz XEBOAQLUFVCMST-UHFFFAOYSA-N 2 1 324.468 3.494 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772421 1091325685 /nfs/dbraw/zinc/32/56/85/1091325685.db2.gz LNHHGDDJUAGUTE-SFHVURJKSA-N 2 1 320.477 3.016 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc4c3OC(F)(F)O4)(C1)CCC2 ZINC001276395623 1091327720 /nfs/dbraw/zinc/32/77/20/1091327720.db2.gz RCRAPKDKJBCEOO-JKSUJKDBSA-N 2 1 324.371 3.163 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccn3)cc2)CCC1(F)F ZINC001205769601 1091339459 /nfs/dbraw/zinc/33/94/59/1091339459.db2.gz JLFNJUWLNXPPHI-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccn3)cc2)CCC1(F)F ZINC001205769601 1091339462 /nfs/dbraw/zinc/33/94/62/1091339462.db2.gz JLFNJUWLNXPPHI-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccc(Br)cc1 ZINC001205902214 1091400081 /nfs/dbraw/zinc/40/00/81/1091400081.db2.gz IXPKSSQSZWOOFY-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913920 1091406613 /nfs/dbraw/zinc/40/66/13/1091406613.db2.gz KNZDHSOCLHWABI-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913920 1091406615 /nfs/dbraw/zinc/40/66/15/1091406615.db2.gz KNZDHSOCLHWABI-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205913203 1091406709 /nfs/dbraw/zinc/40/67/09/1091406709.db2.gz HOYLUEFDXUDCDT-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205913203 1091406712 /nfs/dbraw/zinc/40/67/12/1091406712.db2.gz HOYLUEFDXUDCDT-RYUDHWBXSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205913167 1091406840 /nfs/dbraw/zinc/40/68/40/1091406840.db2.gz HGQIWAPTWMKPQS-ZFWWWQNUSA-N 2 1 301.409 3.380 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205914109 1091406886 /nfs/dbraw/zinc/40/68/86/1091406886.db2.gz LAFQLGGIXKEFKW-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205916190 1091411470 /nfs/dbraw/zinc/41/14/70/1091411470.db2.gz SOHYEAOYAHALDB-STQMWFEESA-N 2 1 316.367 3.453 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924401 1091415039 /nfs/dbraw/zinc/41/50/39/1091415039.db2.gz SGKCWHIBBMQTSO-ZBFHGGJFSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924401 1091415048 /nfs/dbraw/zinc/41/50/48/1091415048.db2.gz SGKCWHIBBMQTSO-ZBFHGGJFSA-N 2 1 313.420 3.447 20 0 DGADMP CCOc1ccc(Cl)cc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001139007683 1091415692 /nfs/dbraw/zinc/41/56/92/1091415692.db2.gz MNYYLDDFIIAABM-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139007683 1091415697 /nfs/dbraw/zinc/41/56/97/1091415697.db2.gz MNYYLDDFIIAABM-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139007683 1091415704 /nfs/dbraw/zinc/41/57/04/1091415704.db2.gz MNYYLDDFIIAABM-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001139007683 1091415708 /nfs/dbraw/zinc/41/57/08/1091415708.db2.gz MNYYLDDFIIAABM-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001139007683 1091415715 /nfs/dbraw/zinc/41/57/15/1091415715.db2.gz MNYYLDDFIIAABM-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001205925165 1091416102 /nfs/dbraw/zinc/41/61/02/1091416102.db2.gz WBGOBDUMLIXLJE-PBHICJAKSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1C[N@@H+](CC2(c3ccccc3)CCOCC2)CCC[C@H]1C[NH3+] ZINC001205984256 1091436129 /nfs/dbraw/zinc/43/61/29/1091436129.db2.gz RRENOMUUXWYMIF-ROUUACIJSA-N 2 1 316.489 3.042 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CCC[C@H]1C[NH3+] ZINC001205992065 1091439915 /nfs/dbraw/zinc/43/99/15/1091439915.db2.gz DFJWTIISRVEHSC-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CCC[C@H]1C[NH3+] ZINC001205996201 1091441866 /nfs/dbraw/zinc/44/18/66/1091441866.db2.gz WACLFCSPWFLSJV-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@H]1C[NH3+] ZINC001205996201 1091441871 /nfs/dbraw/zinc/44/18/71/1091441871.db2.gz WACLFCSPWFLSJV-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@H]1C[NH3+] ZINC001205996201 1091441878 /nfs/dbraw/zinc/44/18/78/1091441878.db2.gz WACLFCSPWFLSJV-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205995170 1091442083 /nfs/dbraw/zinc/44/20/83/1091442083.db2.gz NGNTXBWVGYLZAK-TZMCWYRMSA-N 2 1 316.367 3.392 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc21 ZINC001205995453 1091442266 /nfs/dbraw/zinc/44/22/66/1091442266.db2.gz OGSHDAGAWFPGFB-HOCLYGCPSA-N 2 1 313.445 3.108 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCC[C@@H]1C[NH3+] ZINC001206003346 1091443623 /nfs/dbraw/zinc/44/36/23/1091443623.db2.gz HACLOCXWIPONSY-DZGCQCFKSA-N 2 1 316.424 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3cccnc3cc2F)CCC[C@H]1C[NH3+] ZINC001206003567 1091446442 /nfs/dbraw/zinc/44/64/42/1091446442.db2.gz JUKTVQALJDFIDJ-HIFRSBDPSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccnc3c(F)cccc23)CCC[C@@H]1C[NH3+] ZINC001206014507 1091451412 /nfs/dbraw/zinc/45/14/12/1091451412.db2.gz XBUFRMIJVIHVFV-UONOGXRCSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cncc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001206023650 1091455075 /nfs/dbraw/zinc/45/50/75/1091455075.db2.gz FYVPOYUDQUKIPW-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001206023555 1091455153 /nfs/dbraw/zinc/45/51/53/1091455153.db2.gz SNQZVRQSRNRRIO-KRWDZBQOSA-N 2 1 308.853 3.135 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001206023647 1091455617 /nfs/dbraw/zinc/45/56/17/1091455617.db2.gz FYVPOYUDQUKIPW-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206023675 1091456014 /nfs/dbraw/zinc/45/60/14/1091456014.db2.gz GBXBERVVXFPPRR-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206028283 1091457025 /nfs/dbraw/zinc/45/70/25/1091457025.db2.gz XZUHJKHWFKKXRA-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CCC[C@@H]1C[NH3+] ZINC001206026514 1091457868 /nfs/dbraw/zinc/45/78/68/1091457868.db2.gz SOSWZCXJLFNVQF-TZMCWYRMSA-N 2 1 318.852 3.090 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206037859 1091462782 /nfs/dbraw/zinc/46/27/82/1091462782.db2.gz YHJXDOCIJPPIBL-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206163698 1091516934 /nfs/dbraw/zinc/51/69/34/1091516934.db2.gz DUGJAWJHBYIWNS-ROUUACIJSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206163698 1091516940 /nfs/dbraw/zinc/51/69/40/1091516940.db2.gz DUGJAWJHBYIWNS-ROUUACIJSA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[C@@H]1F ZINC001206173161 1091519453 /nfs/dbraw/zinc/51/94/53/1091519453.db2.gz FMTWWGSVABHIFQ-IRXDYDNUSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206172909 1091519900 /nfs/dbraw/zinc/51/99/00/1091519900.db2.gz CLKZYONYJQNZBY-IRXDYDNUSA-N 2 1 321.827 3.392 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206172909 1091519903 /nfs/dbraw/zinc/51/99/03/1091519903.db2.gz CLKZYONYJQNZBY-IRXDYDNUSA-N 2 1 321.827 3.392 20 0 DGADMP Cc1c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cccc1C(F)(F)F ZINC001206188178 1091527177 /nfs/dbraw/zinc/52/71/77/1091527177.db2.gz UQRMJJRIDQXHHF-KGLIPLIRSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cccc1C(F)(F)F ZINC001206188178 1091527180 /nfs/dbraw/zinc/52/71/80/1091527180.db2.gz UQRMJJRIDQXHHF-KGLIPLIRSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cccc1C(F)(F)F ZINC001206188184 1091527219 /nfs/dbraw/zinc/52/72/19/1091527219.db2.gz UQRMJJRIDQXHHF-ZIAGYGMSSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cccc1C(F)(F)F ZINC001206188184 1091527224 /nfs/dbraw/zinc/52/72/24/1091527224.db2.gz UQRMJJRIDQXHHF-ZIAGYGMSSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2)cc1 ZINC001206198257 1091532949 /nfs/dbraw/zinc/53/29/49/1091532949.db2.gz LYGDYSFMQLXAAD-MOPGFXCFSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2)cc1 ZINC001206198257 1091532957 /nfs/dbraw/zinc/53/29/57/1091532957.db2.gz LYGDYSFMQLXAAD-MOPGFXCFSA-N 2 1 313.420 3.318 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC[C@H]1F ZINC001206198668 1091533514 /nfs/dbraw/zinc/53/35/14/1091533514.db2.gz NHQYTDXTGZMWQK-IAGOWNOFSA-N 2 1 317.383 3.149 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206209934 1091535964 /nfs/dbraw/zinc/53/59/64/1091535964.db2.gz ITSWBUJPUGCCRY-KBPBESRZSA-N 2 1 315.230 3.019 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206209934 1091535974 /nfs/dbraw/zinc/53/59/74/1091535974.db2.gz ITSWBUJPUGCCRY-KBPBESRZSA-N 2 1 315.230 3.019 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139394133 1091544824 /nfs/dbraw/zinc/54/48/24/1091544824.db2.gz WITCKJKLIBDZJP-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139394133 1091544831 /nfs/dbraw/zinc/54/48/31/1091544831.db2.gz WITCKJKLIBDZJP-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001206269776 1091558605 /nfs/dbraw/zinc/55/86/05/1091558605.db2.gz VZQLJXJWAVWIST-MRXNPFEDSA-N 2 1 320.440 3.067 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001206269776 1091558611 /nfs/dbraw/zinc/55/86/11/1091558611.db2.gz VZQLJXJWAVWIST-MRXNPFEDSA-N 2 1 320.440 3.067 20 0 DGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297251 1091565234 /nfs/dbraw/zinc/56/52/34/1091565234.db2.gz WYQIHIKAHQIPMV-KXBFYZLASA-N 2 1 318.461 3.045 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC001206297003 1091565989 /nfs/dbraw/zinc/56/59/89/1091565989.db2.gz WENJICWKLOHSOA-OAHLLOKOSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001206303060 1091570097 /nfs/dbraw/zinc/57/00/97/1091570097.db2.gz AXQXVQXVGLZZQE-SFHVURJKSA-N 2 1 317.408 3.432 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001206311657 1091574073 /nfs/dbraw/zinc/57/40/73/1091574073.db2.gz SBLHXLZZFIWYQR-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c21 ZINC001206317784 1091576681 /nfs/dbraw/zinc/57/66/81/1091576681.db2.gz IQDSYVGOKMBLHP-SFHVURJKSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC001206324401 1091578613 /nfs/dbraw/zinc/57/86/13/1091578613.db2.gz ASPKCHXYOPTQMR-GFCCVEGCSA-N 2 1 307.385 3.113 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001206337309 1091585446 /nfs/dbraw/zinc/58/54/46/1091585446.db2.gz SUJGFBHXGVFCRG-QGZVFWFLSA-N 2 1 316.474 3.156 20 0 DGADMP CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206352568 1091593371 /nfs/dbraw/zinc/59/33/71/1091593371.db2.gz YFVNSRGKWYLRJH-SFHVURJKSA-N 2 1 303.425 3.314 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206352568 1091593380 /nfs/dbraw/zinc/59/33/80/1091593380.db2.gz YFVNSRGKWYLRJH-SFHVURJKSA-N 2 1 303.425 3.314 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001206352583 1091593566 /nfs/dbraw/zinc/59/35/66/1091593566.db2.gz YMVVRORORQWRHE-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001206352583 1091593572 /nfs/dbraw/zinc/59/35/72/1091593572.db2.gz YMVVRORORQWRHE-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP Cc1ccnc2cccc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)c12 ZINC001206371363 1091603809 /nfs/dbraw/zinc/60/38/09/1091603809.db2.gz UCDOPINNQZFGPP-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccnc2cccc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c12 ZINC001206371363 1091603814 /nfs/dbraw/zinc/60/38/14/1091603814.db2.gz UCDOPINNQZFGPP-SFHVURJKSA-N 2 1 301.409 3.196 20 0 DGADMP CCOc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001139602184 1091617241 /nfs/dbraw/zinc/61/72/41/1091617241.db2.gz DVLGSRYPHXDZID-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1CC ZINC001139619951 1091622551 /nfs/dbraw/zinc/62/25/51/1091622551.db2.gz MPNULERBPKQGBA-MSOLQXFVSA-N 2 1 302.462 3.031 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1CC ZINC001139619951 1091622554 /nfs/dbraw/zinc/62/25/54/1091622554.db2.gz MPNULERBPKQGBA-MSOLQXFVSA-N 2 1 302.462 3.031 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C(C)C ZINC001139624120 1091624727 /nfs/dbraw/zinc/62/47/27/1091624727.db2.gz IQNAHLXVWSCOTP-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C(C)C ZINC001139624120 1091624733 /nfs/dbraw/zinc/62/47/33/1091624733.db2.gz IQNAHLXVWSCOTP-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C(C)C ZINC001139624120 1091624735 /nfs/dbraw/zinc/62/47/35/1091624735.db2.gz IQNAHLXVWSCOTP-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C(C)C ZINC001139624120 1091624740 /nfs/dbraw/zinc/62/47/40/1091624740.db2.gz IQNAHLXVWSCOTP-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001206431178 1091628056 /nfs/dbraw/zinc/62/80/56/1091628056.db2.gz ZXWJVXUITCHJMI-NVXWUHKLSA-N 2 1 324.509 3.018 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001206548823 1091665577 /nfs/dbraw/zinc/66/55/77/1091665577.db2.gz JICQCZUQQMWIAL-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001206548823 1091665578 /nfs/dbraw/zinc/66/55/78/1091665578.db2.gz JICQCZUQQMWIAL-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001206556860 1091668416 /nfs/dbraw/zinc/66/84/16/1091668416.db2.gz YNDGVNPUWAXLQN-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206563535 1091669923 /nfs/dbraw/zinc/66/99/23/1091669923.db2.gz FYUXQJSGJLZPKM-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206563535 1091669935 /nfs/dbraw/zinc/66/99/35/1091669935.db2.gz FYUXQJSGJLZPKM-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP CCOc1ccc(OC)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563735 1091671414 /nfs/dbraw/zinc/67/14/14/1091671414.db2.gz IEBKFHXWDFZBHY-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563735 1091671419 /nfs/dbraw/zinc/67/14/19/1091671419.db2.gz IEBKFHXWDFZBHY-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c21 ZINC001206564480 1091671787 /nfs/dbraw/zinc/67/17/87/1091671787.db2.gz OQUCFUGFNYYCOO-GOSISDBHSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001206575727 1091674369 /nfs/dbraw/zinc/67/43/69/1091674369.db2.gz XDNASTFVRQZOBO-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP CC(C)[N@H+](C[C@H](C)OCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001206583746 1091678174 /nfs/dbraw/zinc/67/81/74/1091678174.db2.gz WCISYZJPOFKEBT-HKUYNNGSSA-N 2 1 304.478 3.444 20 0 DGADMP CCOc1ccc(OC)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599541 1091684212 /nfs/dbraw/zinc/68/42/12/1091684212.db2.gz UONAAWFOWWTATI-QGZVFWFLSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[NH+]1CCCCC1 ZINC001206701358 1091706932 /nfs/dbraw/zinc/70/69/32/1091706932.db2.gz WRSKRJDYFXHCLE-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC001206717680 1091710344 /nfs/dbraw/zinc/71/03/44/1091710344.db2.gz ZQVOQYURKCXXDC-IRXDYDNUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC001206717680 1091710348 /nfs/dbraw/zinc/71/03/48/1091710348.db2.gz ZQVOQYURKCXXDC-IRXDYDNUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC001206717680 1091710352 /nfs/dbraw/zinc/71/03/52/1091710352.db2.gz ZQVOQYURKCXXDC-IRXDYDNUSA-N 2 1 302.462 3.139 20 0 DGADMP COC(=O)C1(C)CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168768707 1091713579 /nfs/dbraw/zinc/71/35/79/1091713579.db2.gz WKXKNIFPVIGOER-CSGOCMEYSA-N 2 1 322.493 3.090 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206767641 1091730277 /nfs/dbraw/zinc/73/02/77/1091730277.db2.gz CYAMDYQRCXTTIG-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770666 1091734314 /nfs/dbraw/zinc/73/43/14/1091734314.db2.gz SZYPBXPMGVAVJM-QWHCGFSZSA-N 2 1 316.367 3.453 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1-c1cncnc1 ZINC001140019219 1091739422 /nfs/dbraw/zinc/73/94/22/1091739422.db2.gz ZIIGUNKUQDUELC-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001140023558 1091742290 /nfs/dbraw/zinc/74/22/90/1091742290.db2.gz QMBDNKBQRBTAFX-MJGOQNOKSA-N 2 1 311.429 3.182 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC001206801720 1091745361 /nfs/dbraw/zinc/74/53/61/1091745361.db2.gz YZQHXNRKAADRGP-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001206800843 1091745505 /nfs/dbraw/zinc/74/55/05/1091745505.db2.gz ORLYXEXLDRBIAI-DFQSSKMNSA-N 2 1 318.505 3.296 20 0 DGADMP COc1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001206799233 1091746324 /nfs/dbraw/zinc/74/63/24/1091746324.db2.gz CQRZQYNSUGDWMU-KDOFPFPSSA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001206799233 1091746328 /nfs/dbraw/zinc/74/63/28/1091746328.db2.gz CQRZQYNSUGDWMU-KDOFPFPSSA-N 2 1 308.441 3.387 20 0 DGADMP C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498218 1091772194 /nfs/dbraw/zinc/77/21/94/1091772194.db2.gz SUWRQINOAOBGJI-UYAOXDASSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001276498218 1091772200 /nfs/dbraw/zinc/77/22/00/1091772200.db2.gz SUWRQINOAOBGJI-UYAOXDASSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)C1 ZINC001276498218 1091772209 /nfs/dbraw/zinc/77/22/09/1091772209.db2.gz SUWRQINOAOBGJI-UYAOXDASSA-N 2 1 319.537 3.059 20 0 DGADMP CCCC[NH+]1CCC(N(C)Cc2[nH+]cc3ccccn32)CC1 ZINC001207055153 1091830460 /nfs/dbraw/zinc/83/04/60/1091830460.db2.gz FYRQDRPXVYCIAC-UHFFFAOYSA-N 2 1 300.450 3.031 20 0 DGADMP c1[nH]nc2ccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)cc12 ZINC001140386896 1091845227 /nfs/dbraw/zinc/84/52/27/1091845227.db2.gz PKPUZHNFZWTGLL-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]nc2ccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc12 ZINC001140386896 1091845234 /nfs/dbraw/zinc/84/52/34/1091845234.db2.gz PKPUZHNFZWTGLL-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1(C)C ZINC001207278564 1091907540 /nfs/dbraw/zinc/90/75/40/1091907540.db2.gz FWLXCKJFQDLRET-OTWHNJEPSA-N 2 1 319.537 3.079 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001207285187 1091911329 /nfs/dbraw/zinc/91/13/29/1091911329.db2.gz BZYZKDFDSLCERM-UHFFFAOYSA-N 2 1 308.441 3.257 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC001207287322 1091912864 /nfs/dbraw/zinc/91/28/64/1091912864.db2.gz SNVIKQVSYUSTDN-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001207293372 1091913814 /nfs/dbraw/zinc/91/38/14/1091913814.db2.gz ILJCPZAJADGTOG-FQEVSTJZSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC001207360404 1091937277 /nfs/dbraw/zinc/93/72/77/1091937277.db2.gz YUPASNDOHBTEHF-INIZCTEOSA-N 2 1 317.477 3.134 20 0 DGADMP Clc1ccc(CO[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207438071 1091968535 /nfs/dbraw/zinc/96/85/35/1091968535.db2.gz VBAXLOFZNCEHHX-GOSISDBHSA-N 2 1 322.880 3.321 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)CC1CC[NH2+]CC1 ZINC001207443684 1091971057 /nfs/dbraw/zinc/97/10/57/1091971057.db2.gz YELKDEAFOMVABO-UHFFFAOYSA-N 2 1 300.368 3.179 20 0 DGADMP CC(C)CCC[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001276530150 1091971798 /nfs/dbraw/zinc/97/17/98/1091971798.db2.gz MRKHHGSKMOVHOP-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP C[NH+]1CCC(CC[NH+](Cc2ccccn2)Cc2ccccn2)CC1 ZINC001207480286 1091983010 /nfs/dbraw/zinc/98/30/10/1091983010.db2.gz ZTVMRUWSUKNTDX-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP CCO[C@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)C[NH+](C)C ZINC001207501477 1091992245 /nfs/dbraw/zinc/99/22/45/1091992245.db2.gz FNAREWVVCPNUAR-QRVBRYPASA-N 2 1 304.478 3.053 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140806886 1092012700 /nfs/dbraw/zinc/01/27/00/1092012700.db2.gz VYDXQHKFBQPMMO-MRXNPFEDSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140806886 1092012711 /nfs/dbraw/zinc/01/27/11/1092012711.db2.gz VYDXQHKFBQPMMO-MRXNPFEDSA-N 2 1 311.360 3.355 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001140807177 1092014749 /nfs/dbraw/zinc/01/47/49/1092014749.db2.gz PLYDZSZCWIUMDK-QGZVFWFLSA-N 2 1 307.397 3.354 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001140807177 1092014757 /nfs/dbraw/zinc/01/47/57/1092014757.db2.gz PLYDZSZCWIUMDK-QGZVFWFLSA-N 2 1 307.397 3.354 20 0 DGADMP Cc1cc(Br)ccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001140818766 1092015594 /nfs/dbraw/zinc/01/55/94/1092015594.db2.gz XHPXAEKWOKOKNP-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)C1CCN(C)CC1 ZINC001140815340 1092015919 /nfs/dbraw/zinc/01/59/19/1092015919.db2.gz PWWCKXBBUKNONT-UHFFFAOYSA-N 2 1 311.267 3.284 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001140815340 1092015936 /nfs/dbraw/zinc/01/59/36/1092015936.db2.gz PWWCKXBBUKNONT-UHFFFAOYSA-N 2 1 311.267 3.284 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620022 1092045444 /nfs/dbraw/zinc/04/54/44/1092045444.db2.gz GOSHBWSYENGMKX-OBVSXPTNSA-N 2 1 314.498 3.324 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620022 1092045455 /nfs/dbraw/zinc/04/54/55/1092045455.db2.gz GOSHBWSYENGMKX-OBVSXPTNSA-N 2 1 314.498 3.324 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620022 1092045463 /nfs/dbraw/zinc/04/54/63/1092045463.db2.gz GOSHBWSYENGMKX-OBVSXPTNSA-N 2 1 314.498 3.324 20 0 DGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620022 1092045474 /nfs/dbraw/zinc/04/54/74/1092045474.db2.gz GOSHBWSYENGMKX-OBVSXPTNSA-N 2 1 314.498 3.324 20 0 DGADMP Cc1cccc2c1C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C2 ZINC001140970006 1092087561 /nfs/dbraw/zinc/08/75/61/1092087561.db2.gz BWOMFWSOYWZYBG-UHFFFAOYSA-N 2 1 321.468 3.263 20 0 DGADMP CC(C)[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC1CC1 ZINC001140973424 1092090422 /nfs/dbraw/zinc/09/04/22/1092090422.db2.gz KDKZCFGVNOYVOR-UHFFFAOYSA-N 2 1 301.478 3.059 20 0 DGADMP c1coc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC001141009195 1092104891 /nfs/dbraw/zinc/10/48/91/1092104891.db2.gz ZYKTTWBUFXESGN-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP c1coc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC001141009195 1092104894 /nfs/dbraw/zinc/10/48/94/1092104894.db2.gz ZYKTTWBUFXESGN-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C34CCC4)[C@@H]2C1 ZINC001207837881 1092113805 /nfs/dbraw/zinc/11/38/05/1092113805.db2.gz VCOQVENBIDGAMK-DMRKSPOLSA-N 2 1 306.494 3.043 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccn2ccnc2c1 ZINC001141046472 1092117649 /nfs/dbraw/zinc/11/76/49/1092117649.db2.gz BIUNVQZKMKOIAV-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141046472 1092117654 /nfs/dbraw/zinc/11/76/54/1092117654.db2.gz BIUNVQZKMKOIAV-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccn2ccnc2c1 ZINC001141046472 1092117657 /nfs/dbraw/zinc/11/76/57/1092117657.db2.gz BIUNVQZKMKOIAV-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP c1cn2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2n1 ZINC001141044529 1092117695 /nfs/dbraw/zinc/11/76/95/1092117695.db2.gz NFUMKCFJWAICBQ-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2n1 ZINC001141044529 1092117701 /nfs/dbraw/zinc/11/77/01/1092117701.db2.gz NFUMKCFJWAICBQ-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@@H]2CCCO2)C3)cc1 ZINC001207894630 1092131243 /nfs/dbraw/zinc/13/12/43/1092131243.db2.gz RYGGDURSKVYCER-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCO2)C3)cc1 ZINC001207894630 1092131248 /nfs/dbraw/zinc/13/12/48/1092131248.db2.gz RYGGDURSKVYCER-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCO2)C3)cc1 ZINC001207894630 1092131250 /nfs/dbraw/zinc/13/12/50/1092131250.db2.gz RYGGDURSKVYCER-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-c4ncccn4)cc3)C2)CC1 ZINC001141187549 1092166338 /nfs/dbraw/zinc/16/63/38/1092166338.db2.gz JEMYUGSSLCYJKU-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000088688661 1092197383 /nfs/dbraw/zinc/19/73/83/1092197383.db2.gz ZYWCKGLVCPKESK-FCEWJHQRSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000088688661 1092197386 /nfs/dbraw/zinc/19/73/86/1092197386.db2.gz ZYWCKGLVCPKESK-FCEWJHQRSA-N 2 1 302.462 3.186 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCCC1 ZINC001208191648 1092251540 /nfs/dbraw/zinc/25/15/40/1092251540.db2.gz MSGNMDACACAHMT-LJQANCHMSA-N 3 1 321.553 3.449 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCCC1 ZINC001208191648 1092251549 /nfs/dbraw/zinc/25/15/49/1092251549.db2.gz MSGNMDACACAHMT-LJQANCHMSA-N 3 1 321.553 3.449 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CCCC1 ZINC001208188761 1092251657 /nfs/dbraw/zinc/25/16/57/1092251657.db2.gz NJGVLPDVTVRWRC-GOSISDBHSA-N 2 1 320.452 3.401 20 0 DGADMP C[NH+](C)CC1(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC001208189885 1092252555 /nfs/dbraw/zinc/25/25/55/1092252555.db2.gz BTWBKELMASPLFI-LJQANCHMSA-N 2 1 315.505 3.097 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CCCC1 ZINC001208188162 1092253537 /nfs/dbraw/zinc/25/35/37/1092253537.db2.gz ULEGIOFLBSEYCT-GOSISDBHSA-N 2 1 320.452 3.401 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001141980641 1092376415 /nfs/dbraw/zinc/37/64/15/1092376415.db2.gz AAAUFFJBUVUEBO-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141980641 1092376422 /nfs/dbraw/zinc/37/64/22/1092376422.db2.gz AAAUFFJBUVUEBO-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP C[C@H]1C[N@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205993687 1092395026 /nfs/dbraw/zinc/39/50/26/1092395026.db2.gz IJLMYMCQCHTETR-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205993687 1092395031 /nfs/dbraw/zinc/39/50/31/1092395031.db2.gz IJLMYMCQCHTETR-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492164318 1092416088 /nfs/dbraw/zinc/41/60/88/1092416088.db2.gz VRSWUZNUHRWIHR-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208609719 1092425198 /nfs/dbraw/zinc/42/51/98/1092425198.db2.gz WRVSYAAFMRUVIQ-HKUYNNGSSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609719 1092425203 /nfs/dbraw/zinc/42/52/03/1092425203.db2.gz WRVSYAAFMRUVIQ-HKUYNNGSSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609719 1092425207 /nfs/dbraw/zinc/42/52/07/1092425207.db2.gz WRVSYAAFMRUVIQ-HKUYNNGSSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2[nH]cnc2C(C)(C)C)CC1 ZINC001142226031 1092442399 /nfs/dbraw/zinc/44/23/99/1092442399.db2.gz FJOLJTITGKTBKV-UHFFFAOYSA-N 2 1 306.498 3.259 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001208683448 1092454127 /nfs/dbraw/zinc/45/41/27/1092454127.db2.gz HMCCPKMOWXAIRK-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001208683448 1092454129 /nfs/dbraw/zinc/45/41/29/1092454129.db2.gz HMCCPKMOWXAIRK-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001208683448 1092454136 /nfs/dbraw/zinc/45/41/36/1092454136.db2.gz HMCCPKMOWXAIRK-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001208683448 1092454145 /nfs/dbraw/zinc/45/41/45/1092454145.db2.gz HMCCPKMOWXAIRK-YZGWKJHDSA-N 2 1 313.489 3.414 20 0 DGADMP C[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)OCc1ccccc1 ZINC001208698996 1092464840 /nfs/dbraw/zinc/46/48/40/1092464840.db2.gz PGPHQAAAAAXKQS-KRWDZBQOSA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169100020 1092528990 /nfs/dbraw/zinc/52/89/90/1092528990.db2.gz ZKXXUVNJLNVKPN-BCDXTJNWSA-N 2 1 302.462 3.231 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001169098862 1092530614 /nfs/dbraw/zinc/53/06/14/1092530614.db2.gz LTJGHUDPONWNER-RTCCRHLQSA-N 2 1 315.280 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001169098862 1092530631 /nfs/dbraw/zinc/53/06/31/1092530631.db2.gz LTJGHUDPONWNER-RTCCRHLQSA-N 2 1 315.280 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC001169100070 1092530682 /nfs/dbraw/zinc/53/06/82/1092530682.db2.gz FSWKABARQBQIHL-YSTOQKLRSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC001169089632 1092538415 /nfs/dbraw/zinc/53/84/15/1092538415.db2.gz FAQSJDIMLVWYMQ-QDMKHBRRSA-N 2 1 309.251 3.164 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cc(F)ccc31)C2 ZINC001169091155 1092538807 /nfs/dbraw/zinc/53/88/07/1092538807.db2.gz OJYUVCJTJPTPDS-ZSHCYNCHSA-N 2 1 301.409 3.079 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC001169124735 1092546127 /nfs/dbraw/zinc/54/61/27/1092546127.db2.gz SOXDPXIOUPZJTF-RUYXUALKSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC001169124735 1092546135 /nfs/dbraw/zinc/54/61/35/1092546135.db2.gz SOXDPXIOUPZJTF-RUYXUALKSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169109019 1092553463 /nfs/dbraw/zinc/55/34/63/1092553463.db2.gz GDWLVJVGOKIDCR-OWZKRDHZSA-N 2 1 319.537 3.246 20 0 DGADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110184 1092554610 /nfs/dbraw/zinc/55/46/10/1092554610.db2.gz LJJNJDIFUILKKG-NXOAAHMSSA-N 2 1 324.509 3.348 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccnc2Cl)CCC[C@H]1C[NH3+] ZINC001206002818 1092565401 /nfs/dbraw/zinc/56/54/01/1092565401.db2.gz BOQNYFVVRIQCTJ-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888646 1092567747 /nfs/dbraw/zinc/56/77/47/1092567747.db2.gz SRZJCBRYQXFUMT-GJZGRUSLSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888646 1092567758 /nfs/dbraw/zinc/56/77/58/1092567758.db2.gz SRZJCBRYQXFUMT-GJZGRUSLSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888646 1092567769 /nfs/dbraw/zinc/56/77/69/1092567769.db2.gz SRZJCBRYQXFUMT-GJZGRUSLSA-N 2 1 322.415 3.008 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H](C)C(F)(F)F)C2)C1 ZINC001208888646 1092567778 /nfs/dbraw/zinc/56/77/78/1092567778.db2.gz SRZJCBRYQXFUMT-GJZGRUSLSA-N 2 1 322.415 3.008 20 0 DGADMP COc1cccc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169153882 1092568136 /nfs/dbraw/zinc/56/81/36/1092568136.db2.gz LONMBTXFKPGFMZ-REPLKXPHSA-N 2 1 314.473 3.500 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@H]2C1 ZINC001142852687 1092568207 /nfs/dbraw/zinc/56/82/07/1092568207.db2.gz IXMPGAHVMLTJLU-RTBURBONSA-N 2 1 307.441 3.132 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169156280 1092569716 /nfs/dbraw/zinc/56/97/16/1092569716.db2.gz WPHIDYIWPBXHJZ-OWLYRPNTSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156280 1092569726 /nfs/dbraw/zinc/56/97/26/1092569726.db2.gz WPHIDYIWPBXHJZ-OWLYRPNTSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156280 1092569735 /nfs/dbraw/zinc/56/97/35/1092569735.db2.gz WPHIDYIWPBXHJZ-OWLYRPNTSA-N 2 1 302.462 3.183 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccnc4c(F)cccc34)C[C@H]2CC1 ZINC001276597534 1092576786 /nfs/dbraw/zinc/57/67/86/1092576786.db2.gz LMBNQODERINZFD-GASCZTMLSA-N 2 1 313.420 3.148 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccnc4c(F)cccc34)C[C@H]2CC1 ZINC001276597534 1092576793 /nfs/dbraw/zinc/57/67/93/1092576793.db2.gz LMBNQODERINZFD-GASCZTMLSA-N 2 1 313.420 3.148 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccnc4c(F)cccc34)C[C@H]2CC1 ZINC001276597534 1092576806 /nfs/dbraw/zinc/57/68/06/1092576806.db2.gz LMBNQODERINZFD-GASCZTMLSA-N 2 1 313.420 3.148 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnc2[nH]ccc21 ZINC001142882589 1092577146 /nfs/dbraw/zinc/57/71/46/1092577146.db2.gz SMNHPISTHIZBKW-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccnc2[nH]ccc21 ZINC001142882589 1092577154 /nfs/dbraw/zinc/57/71/54/1092577154.db2.gz SMNHPISTHIZBKW-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccnc2[nH]ccc21 ZINC001142882589 1092577160 /nfs/dbraw/zinc/57/71/60/1092577160.db2.gz SMNHPISTHIZBKW-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004040 1092578964 /nfs/dbraw/zinc/57/89/64/1092578964.db2.gz PCTDQAHXXXIPGL-CZUORRHYSA-N 2 1 306.498 3.062 20 0 DGADMP Cc1scnc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276598980 1092587819 /nfs/dbraw/zinc/58/78/19/1092587819.db2.gz JYCBLMJKXUUBFL-UHFFFAOYSA-N 2 1 305.491 3.292 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@]4(CCOC4)C3)C2)cc1 ZINC001208930842 1092592962 /nfs/dbraw/zinc/59/29/62/1092592962.db2.gz FOWHCDIDKBZKEO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@]4(CCOC4)C3)C2)cc1 ZINC001208930842 1092592974 /nfs/dbraw/zinc/59/29/74/1092592974.db2.gz FOWHCDIDKBZKEO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@]4(CCOC4)C3)C2)cc1 ZINC001208930842 1092592983 /nfs/dbraw/zinc/59/29/83/1092592983.db2.gz FOWHCDIDKBZKEO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP COC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933884 1092596400 /nfs/dbraw/zinc/59/64/00/1092596400.db2.gz WQTAWNDEWYHDFP-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933884 1092596406 /nfs/dbraw/zinc/59/64/06/1092596406.db2.gz WQTAWNDEWYHDFP-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933884 1092596411 /nfs/dbraw/zinc/59/64/11/1092596411.db2.gz WQTAWNDEWYHDFP-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933884 1092596419 /nfs/dbraw/zinc/59/64/19/1092596419.db2.gz WQTAWNDEWYHDFP-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001169221505 1092597897 /nfs/dbraw/zinc/59/78/97/1092597897.db2.gz JDESQIJRJFVATJ-UHFFFAOYSA-N 2 1 322.452 3.492 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939952 1092601189 /nfs/dbraw/zinc/60/11/89/1092601189.db2.gz MHIHAXWIHSKVSR-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939952 1092601191 /nfs/dbraw/zinc/60/11/91/1092601191.db2.gz MHIHAXWIHSKVSR-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939952 1092601193 /nfs/dbraw/zinc/60/11/93/1092601193.db2.gz MHIHAXWIHSKVSR-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939952 1092601195 /nfs/dbraw/zinc/60/11/95/1092601195.db2.gz MHIHAXWIHSKVSR-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP Oc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942007 1092603453 /nfs/dbraw/zinc/60/34/53/1092603453.db2.gz OECYZUCDOBFYEQ-SFHVURJKSA-N 2 1 322.452 3.272 20 0 DGADMP Oc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942007 1092603458 /nfs/dbraw/zinc/60/34/58/1092603458.db2.gz OECYZUCDOBFYEQ-SFHVURJKSA-N 2 1 322.452 3.272 20 0 DGADMP Oc1ccc2c(c1)CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942007 1092603463 /nfs/dbraw/zinc/60/34/63/1092603463.db2.gz OECYZUCDOBFYEQ-SFHVURJKSA-N 2 1 322.452 3.272 20 0 DGADMP Oc1ccc2c(c1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942007 1092603471 /nfs/dbraw/zinc/60/34/71/1092603471.db2.gz OECYZUCDOBFYEQ-SFHVURJKSA-N 2 1 322.452 3.272 20 0 DGADMP CC(C)[C@@H]1COCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940713 1092603612 /nfs/dbraw/zinc/60/36/12/1092603612.db2.gz VWLFZPKAIDNAPM-PMACEKPBSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@@H]1COCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940713 1092603617 /nfs/dbraw/zinc/60/36/17/1092603617.db2.gz VWLFZPKAIDNAPM-PMACEKPBSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940713 1092603621 /nfs/dbraw/zinc/60/36/21/1092603621.db2.gz VWLFZPKAIDNAPM-PMACEKPBSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@@H]1COCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940713 1092603625 /nfs/dbraw/zinc/60/36/25/1092603625.db2.gz VWLFZPKAIDNAPM-PMACEKPBSA-N 2 1 316.489 3.255 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208942364 1092604045 /nfs/dbraw/zinc/60/40/45/1092604045.db2.gz PPLOSEXCFQRJOO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208942364 1092604047 /nfs/dbraw/zinc/60/40/47/1092604047.db2.gz PPLOSEXCFQRJOO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208942364 1092604051 /nfs/dbraw/zinc/60/40/51/1092604051.db2.gz PPLOSEXCFQRJOO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC001169231129 1092604147 /nfs/dbraw/zinc/60/41/47/1092604147.db2.gz QEJVOKBTVVQLLP-OALUTQOASA-N 2 1 302.462 3.198 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Cc3cccc(OC)c3)C2)CC1 ZINC001169262139 1092605772 /nfs/dbraw/zinc/60/57/72/1092605772.db2.gz SYUMBGIBSBQJQT-GOSISDBHSA-N 2 1 316.489 3.434 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Cc3cccc(OC)c3)C2)CC1 ZINC001169262139 1092605776 /nfs/dbraw/zinc/60/57/76/1092605776.db2.gz SYUMBGIBSBQJQT-GOSISDBHSA-N 2 1 316.489 3.434 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H](c4cccnc4)C3)C2)cc1 ZINC001208947230 1092606392 /nfs/dbraw/zinc/60/63/92/1092606392.db2.gz AAIFLJVEFCQWJS-FPOVZHCZSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H](c4cccnc4)C3)C2)cc1 ZINC001208947230 1092606395 /nfs/dbraw/zinc/60/63/95/1092606395.db2.gz AAIFLJVEFCQWJS-FPOVZHCZSA-N 2 1 321.468 3.393 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(COc3ccc(F)cc3)CC2)CC1 ZINC001169265032 1092607340 /nfs/dbraw/zinc/60/73/40/1092607340.db2.gz LAFZNXQIUWNRSK-UHFFFAOYSA-N 2 1 320.452 3.401 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001169264994 1092607370 /nfs/dbraw/zinc/60/73/70/1092607370.db2.gz KBETUCINJWNNMI-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001169264994 1092607372 /nfs/dbraw/zinc/60/73/72/1092607372.db2.gz KBETUCINJWNNMI-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP COCCC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951190 1092608072 /nfs/dbraw/zinc/60/80/72/1092608072.db2.gz ZIMAOKZBILGMQO-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208954002 1092608176 /nfs/dbraw/zinc/60/81/76/1092608176.db2.gz RZPQSSZEALIJQO-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208954002 1092608180 /nfs/dbraw/zinc/60/81/80/1092608180.db2.gz RZPQSSZEALIJQO-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954002 1092608184 /nfs/dbraw/zinc/60/81/84/1092608184.db2.gz RZPQSSZEALIJQO-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP FC(F)(F)[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949211 1092608334 /nfs/dbraw/zinc/60/83/34/1092608334.db2.gz IZYRKAIYURSIDY-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949211 1092608337 /nfs/dbraw/zinc/60/83/37/1092608337.db2.gz IZYRKAIYURSIDY-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949211 1092608340 /nfs/dbraw/zinc/60/83/40/1092608340.db2.gz IZYRKAIYURSIDY-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949211 1092608342 /nfs/dbraw/zinc/60/83/42/1092608342.db2.gz IZYRKAIYURSIDY-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP CC(C)OC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950876 1092608511 /nfs/dbraw/zinc/60/85/11/1092608511.db2.gz XIQGTBWVGINKAF-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP FC(F)(F)[C@@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949215 1092608698 /nfs/dbraw/zinc/60/86/98/1092608698.db2.gz IZYRKAIYURSIDY-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949215 1092608703 /nfs/dbraw/zinc/60/87/03/1092608703.db2.gz IZYRKAIYURSIDY-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949215 1092608712 /nfs/dbraw/zinc/60/87/12/1092608712.db2.gz IZYRKAIYURSIDY-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949215 1092608718 /nfs/dbraw/zinc/60/87/18/1092608718.db2.gz IZYRKAIYURSIDY-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208965026 1092613128 /nfs/dbraw/zinc/61/31/28/1092613128.db2.gz VJNOVUUQBNTPRM-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208965026 1092613131 /nfs/dbraw/zinc/61/31/31/1092613131.db2.gz VJNOVUUQBNTPRM-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208965026 1092613133 /nfs/dbraw/zinc/61/31/33/1092613133.db2.gz VJNOVUUQBNTPRM-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC001169256221 1092619168 /nfs/dbraw/zinc/61/91/68/1092619168.db2.gz YWQJFSSXQYXOID-KRWDZBQOSA-N 2 1 318.461 3.325 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC001169256221 1092619170 /nfs/dbraw/zinc/61/91/70/1092619170.db2.gz YWQJFSSXQYXOID-KRWDZBQOSA-N 2 1 318.461 3.325 20 0 DGADMP FC(F)(F)[C@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)C1CCC1 ZINC001169287835 1092629656 /nfs/dbraw/zinc/62/96/56/1092629656.db2.gz VCMMOPVPZADCCI-OAHLLOKOSA-N 2 1 324.350 3.164 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1F ZINC001143278360 1092649964 /nfs/dbraw/zinc/64/99/64/1092649964.db2.gz FXQHVPPKOVPPKY-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276622954 1092687084 /nfs/dbraw/zinc/68/70/84/1092687084.db2.gz PVLMLGJWCKPPGW-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276622954 1092687087 /nfs/dbraw/zinc/68/70/87/1092687087.db2.gz PVLMLGJWCKPPGW-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276622954 1092687091 /nfs/dbraw/zinc/68/70/91/1092687091.db2.gz PVLMLGJWCKPPGW-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCCc1ccncc1 ZINC001209189503 1092688126 /nfs/dbraw/zinc/68/81/26/1092688126.db2.gz YGHNSLCGVUTRKH-OALUTQOASA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC001209189503 1092688130 /nfs/dbraw/zinc/68/81/30/1092688130.db2.gz YGHNSLCGVUTRKH-OALUTQOASA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC001209189503 1092688136 /nfs/dbraw/zinc/68/81/36/1092688136.db2.gz YGHNSLCGVUTRKH-OALUTQOASA-N 2 1 301.478 3.353 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001206011740 1092688371 /nfs/dbraw/zinc/68/83/71/1092688371.db2.gz FWYRWAONYLOFQC-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP COCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209215684 1092696876 /nfs/dbraw/zinc/69/68/76/1092696876.db2.gz PHMYIABHVYXKBH-UHFFFAOYSA-N 2 1 322.518 3.463 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCCOCc3ccccc3)C[C@@H]2C1 ZINC001209264718 1092720239 /nfs/dbraw/zinc/72/02/39/1092720239.db2.gz YBOUHWBJQMGPAI-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCCOCc3ccccc3)C[C@@H]2C1 ZINC001209264718 1092720245 /nfs/dbraw/zinc/72/02/45/1092720245.db2.gz YBOUHWBJQMGPAI-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCCOCc3ccccc3)C[C@@H]2C1 ZINC001209264718 1092720250 /nfs/dbraw/zinc/72/02/50/1092720250.db2.gz YBOUHWBJQMGPAI-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001206632209 1092724638 /nfs/dbraw/zinc/72/46/38/1092724638.db2.gz HDCVORWGAVNUSG-ZDUSSCGKSA-N 2 1 316.367 3.275 20 0 DGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@H]1C[C@H]1C)CC2 ZINC001209413340 1092763942 /nfs/dbraw/zinc/76/39/42/1092763942.db2.gz KFNGXCCRMGNRGA-RHSMWYFYSA-N 2 1 317.477 3.378 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209414552 1092764354 /nfs/dbraw/zinc/76/43/54/1092764354.db2.gz NMJUNXCHMMDEKU-IEBWSBKVSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412961 1092764466 /nfs/dbraw/zinc/76/44/66/1092764466.db2.gz JBUSAOIXVSDKJD-YSDSKTICSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412961 1092764471 /nfs/dbraw/zinc/76/44/71/1092764471.db2.gz JBUSAOIXVSDKJD-YSDSKTICSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412961 1092764480 /nfs/dbraw/zinc/76/44/80/1092764480.db2.gz JBUSAOIXVSDKJD-YSDSKTICSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412961 1092764485 /nfs/dbraw/zinc/76/44/85/1092764485.db2.gz JBUSAOIXVSDKJD-YSDSKTICSA-N 2 1 313.489 3.270 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001206633039 1092766785 /nfs/dbraw/zinc/76/67/85/1092766785.db2.gz RUSGEQVYRGRZHB-MRXNPFEDSA-N 2 1 317.477 3.354 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209418580 1092767928 /nfs/dbraw/zinc/76/79/28/1092767928.db2.gz ZVMBDUABSHBHCZ-SJLPKXTDSA-N 2 1 313.489 3.414 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209454756 1092781265 /nfs/dbraw/zinc/78/12/65/1092781265.db2.gz TYDLUJHYTNABMD-GOSISDBHSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209454756 1092781274 /nfs/dbraw/zinc/78/12/74/1092781274.db2.gz TYDLUJHYTNABMD-GOSISDBHSA-N 2 1 317.477 3.109 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c3ccccc3nn2C)CC1 ZINC001209537838 1092814644 /nfs/dbraw/zinc/81/46/44/1092814644.db2.gz XTNYLQXCNWHBFR-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001209725394 1092893059 /nfs/dbraw/zinc/89/30/59/1092893059.db2.gz JUEFPRZSNTXWAQ-YLJYHZDGSA-N 2 1 323.440 3.033 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001209725394 1092893065 /nfs/dbraw/zinc/89/30/65/1092893065.db2.gz JUEFPRZSNTXWAQ-YLJYHZDGSA-N 2 1 323.440 3.033 20 0 DGADMP C[C@H]1OC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)c2ccccc21 ZINC001209733411 1092895832 /nfs/dbraw/zinc/89/58/32/1092895832.db2.gz LLLLGMXJMUHHMN-CQSZACIVSA-N 2 1 309.413 3.077 20 0 DGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209730708 1092896035 /nfs/dbraw/zinc/89/60/35/1092896035.db2.gz NRDILPUOGOYUSG-UHFFFAOYSA-N 2 1 307.441 3.283 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnccc2N)CCc2ccc(Cl)cc21 ZINC001209737607 1092897540 /nfs/dbraw/zinc/89/75/40/1092897540.db2.gz QBROZTZYQZQYSE-LBPRGKRZSA-N 2 1 301.821 3.309 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH+]ccc2N)CCc2ccc(Cl)cc21 ZINC001209737607 1092897558 /nfs/dbraw/zinc/89/75/58/1092897558.db2.gz QBROZTZYQZQYSE-LBPRGKRZSA-N 2 1 301.821 3.309 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC001209782155 1092921066 /nfs/dbraw/zinc/92/10/66/1092921066.db2.gz PRQTXBZHIWYWOC-UHFFFAOYSA-N 2 1 303.494 3.449 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC001209782155 1092921073 /nfs/dbraw/zinc/92/10/73/1092921073.db2.gz PRQTXBZHIWYWOC-UHFFFAOYSA-N 2 1 303.494 3.449 20 0 DGADMP COc1ccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c[nH]c2c1 ZINC001276676636 1093008761 /nfs/dbraw/zinc/00/87/61/1093008761.db2.gz KMESDDNIHVFTOQ-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c[nH]c2c1 ZINC001276676636 1093008771 /nfs/dbraw/zinc/00/87/71/1093008771.db2.gz KMESDDNIHVFTOQ-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP COc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)c[nH]c2c1 ZINC001276676636 1093008779 /nfs/dbraw/zinc/00/87/79/1093008779.db2.gz KMESDDNIHVFTOQ-IBGZPJMESA-N 2 1 313.445 3.094 20 0 DGADMP CCC[C@H](C)c1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)on1 ZINC001210261562 1093100471 /nfs/dbraw/zinc/10/04/71/1093100471.db2.gz BQQZIMLNIDBYIM-ZDUSSCGKSA-N 2 1 315.421 3.126 20 0 DGADMP Fc1cc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Cl ZINC001210267149 1093101216 /nfs/dbraw/zinc/10/12/16/1093101216.db2.gz UWDRCWMBRIHQJU-UHFFFAOYSA-N 2 1 324.762 3.166 20 0 DGADMP Cc1cc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Cl ZINC001210268020 1093103556 /nfs/dbraw/zinc/10/35/56/1093103556.db2.gz RPKRCMBTZHRACZ-UHFFFAOYSA-N 2 1 320.799 3.336 20 0 DGADMP c1cc(OC2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)ccn1 ZINC001210580228 1093216317 /nfs/dbraw/zinc/21/63/17/1093216317.db2.gz GPVKSQJLQMTHAI-UHFFFAOYSA-N 2 1 317.477 3.237 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC000091472143 1093459923 /nfs/dbraw/zinc/45/99/23/1093459923.db2.gz OBEOUYKGOSDNDR-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC000091472143 1093459929 /nfs/dbraw/zinc/45/99/29/1093459929.db2.gz OBEOUYKGOSDNDR-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)[NH+](CCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000303377415 1093805303 /nfs/dbraw/zinc/80/53/03/1093805303.db2.gz ZHXFYDXNQOCCQZ-AZUAARDMSA-N 2 1 317.521 3.358 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(OCC(F)F)cc1)C2 ZINC001276746992 1094258737 /nfs/dbraw/zinc/25/87/37/1094258737.db2.gz UTGOERGXYKBYKM-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001276746992 1094258744 /nfs/dbraw/zinc/25/87/44/1094258744.db2.gz UTGOERGXYKBYKM-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001276746992 1094258748 /nfs/dbraw/zinc/25/87/48/1094258748.db2.gz UTGOERGXYKBYKM-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP Cc1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)sn1 ZINC000404485615 1094259549 /nfs/dbraw/zinc/25/95/49/1094259549.db2.gz KYFFFXDNPLYGCE-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404485615 1094259554 /nfs/dbraw/zinc/25/95/54/1094259554.db2.gz KYFFFXDNPLYGCE-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404485615 1094259563 /nfs/dbraw/zinc/25/95/63/1094259563.db2.gz KYFFFXDNPLYGCE-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1C ZINC001119988164 1094336513 /nfs/dbraw/zinc/33/65/13/1094336513.db2.gz GDONRVAQCRKWST-OKZBNKHCSA-N 2 1 302.462 3.166 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCCOCC2)CC1 ZINC001170800586 1094434878 /nfs/dbraw/zinc/43/48/78/1094434878.db2.gz FQCAIOCCGGLVPQ-FHWLQOOXSA-N 2 1 320.452 3.467 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217694858 1094473871 /nfs/dbraw/zinc/47/38/71/1094473871.db2.gz MKNVGFLALIQQGF-BPUTZDHNSA-N 2 1 314.433 3.105 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217694858 1094473877 /nfs/dbraw/zinc/47/38/77/1094473877.db2.gz MKNVGFLALIQQGF-BPUTZDHNSA-N 2 1 314.433 3.105 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(CCC2CCCCC2)o1 ZINC001217715181 1094481196 /nfs/dbraw/zinc/48/11/96/1094481196.db2.gz SIDDWIWIRSNNLC-HNNXBMFYSA-N 2 1 308.470 3.314 20 0 DGADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217725871 1094484653 /nfs/dbraw/zinc/48/46/53/1094484653.db2.gz VDXYVTCVMOSJMI-KRWDZBQOSA-N 2 1 322.412 3.279 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCC1CC[NH2+]CC1 ZINC001217769767 1094492319 /nfs/dbraw/zinc/49/23/19/1094492319.db2.gz YNFNMEVWXGLVOQ-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217769765 1094492720 /nfs/dbraw/zinc/49/27/20/1094492720.db2.gz YNFNMEVWXGLVOQ-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC[NH2+]1 ZINC001217850425 1094504625 /nfs/dbraw/zinc/50/46/25/1094504625.db2.gz RWZASEKHYIKWTJ-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@@H](OCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217909311 1094515195 /nfs/dbraw/zinc/51/51/95/1094515195.db2.gz GPFMGHSEEKDOEI-MAUKXSAKSA-N 2 1 322.880 3.321 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@H](OCCC2CC[NH2+]CC2)C1 ZINC001217912601 1094516154 /nfs/dbraw/zinc/51/61/54/1094516154.db2.gz RIKOXDZKEGQZQP-SFHVURJKSA-N 2 1 320.452 3.196 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@@H](OCCC3CC[NH2+]CC3)C2)cc1 ZINC001217913081 1094517037 /nfs/dbraw/zinc/51/70/37/1094517037.db2.gz YJBCCQMYMFZKOS-GOSISDBHSA-N 2 1 322.880 3.321 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1ccccc1C[NH3+] ZINC001217939193 1094521424 /nfs/dbraw/zinc/52/14/24/1094521424.db2.gz NRWNCVTUFVPACI-JXFKEZNVSA-N 2 1 310.441 3.182 20 0 DGADMP [NH3+][C@@H]1C[C@H]1c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217946546 1094526008 /nfs/dbraw/zinc/52/60/08/1094526008.db2.gz PEAYUFJXJYLXOD-SLFFLAALSA-N 2 1 308.425 3.155 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001217968232 1094533720 /nfs/dbraw/zinc/53/37/20/1094533720.db2.gz XTVPXQVCYZBVCG-UZLBHIALSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH3+] ZINC001217968213 1094533977 /nfs/dbraw/zinc/53/39/77/1094533977.db2.gz XNGITQGVECXJDL-UZLBHIALSA-N 2 1 310.441 3.435 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOCC1 ZINC001170831411 1094609284 /nfs/dbraw/zinc/60/92/84/1094609284.db2.gz ONUYLZQKSJJMEP-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOCC1 ZINC001170831411 1094609296 /nfs/dbraw/zinc/60/92/96/1094609296.db2.gz ONUYLZQKSJJMEP-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOCC1 ZINC001170831411 1094609299 /nfs/dbraw/zinc/60/92/99/1094609299.db2.gz ONUYLZQKSJJMEP-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218334474 1094723534 /nfs/dbraw/zinc/72/35/34/1094723534.db2.gz AQQPTZGBAFJGSA-JXFKEZNVSA-N 2 1 310.441 3.435 20 0 DGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC001336797066 1094741914 /nfs/dbraw/zinc/74/19/14/1094741914.db2.gz CAFZSUNNGNWOTG-YJBOKZPZSA-N 2 1 322.880 3.085 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218410983 1094759560 /nfs/dbraw/zinc/75/95/60/1094759560.db2.gz SJGMDGCHOIGUNF-YJBOKZPZSA-N 2 1 311.429 3.145 20 0 DGADMP [NH3+]Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001218410620 1094760492 /nfs/dbraw/zinc/76/04/92/1094760492.db2.gz HDRYENHKQWXGBI-MRXNPFEDSA-N 2 1 316.832 3.452 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nccc4c3CCCC4)C[C@@H]2C1 ZINC001336888393 1094772245 /nfs/dbraw/zinc/77/22/45/1094772245.db2.gz JPXFZRLKEMVEHG-OKZBNKHCSA-N 2 1 313.489 3.123 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135980550 1094774547 /nfs/dbraw/zinc/77/45/47/1094774547.db2.gz QAYQEDRPKXBUJN-HOTGVXAUSA-N 2 1 313.530 3.027 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796677 1094884014 /nfs/dbraw/zinc/88/40/14/1094884014.db2.gz WCFUKGVFHQNVBW-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796677 1094884031 /nfs/dbraw/zinc/88/40/31/1094884031.db2.gz WCFUKGVFHQNVBW-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796677 1094884048 /nfs/dbraw/zinc/88/40/48/1094884048.db2.gz WCFUKGVFHQNVBW-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796677 1094884065 /nfs/dbraw/zinc/88/40/65/1094884065.db2.gz WCFUKGVFHQNVBW-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796676 1094885554 /nfs/dbraw/zinc/88/55/54/1094885554.db2.gz WCFUKGVFHQNVBW-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796676 1094885565 /nfs/dbraw/zinc/88/55/65/1094885565.db2.gz WCFUKGVFHQNVBW-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796676 1094885577 /nfs/dbraw/zinc/88/55/77/1094885577.db2.gz WCFUKGVFHQNVBW-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796676 1094885592 /nfs/dbraw/zinc/88/55/92/1094885592.db2.gz WCFUKGVFHQNVBW-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001122370822 1094960804 /nfs/dbraw/zinc/96/08/04/1094960804.db2.gz AHLRZOBFCFCRHT-OAHLLOKOSA-N 2 1 318.465 3.035 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000316275094 1095166334 /nfs/dbraw/zinc/16/63/34/1095166334.db2.gz ZYQBXFVCVGBUFU-UHFFFAOYSA-N 2 1 301.478 3.399 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(N2CCCC2)c1 ZINC001276818650 1095196338 /nfs/dbraw/zinc/19/63/38/1095196338.db2.gz GTMHWYLLOBRWSL-ALOPSCKCSA-N 2 1 317.452 3.141 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(N2CCCC2)c1 ZINC001276818650 1095196346 /nfs/dbraw/zinc/19/63/46/1095196346.db2.gz GTMHWYLLOBRWSL-ALOPSCKCSA-N 2 1 317.452 3.141 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1CC ZINC001222148005 1095456913 /nfs/dbraw/zinc/45/69/13/1095456913.db2.gz HOAFELVMLZDWRK-IBGZPJMESA-N 2 1 302.462 3.223 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1CC ZINC001222148005 1095456918 /nfs/dbraw/zinc/45/69/18/1095456918.db2.gz HOAFELVMLZDWRK-IBGZPJMESA-N 2 1 302.462 3.223 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148769 1095459529 /nfs/dbraw/zinc/45/95/29/1095459529.db2.gz SSPILPIUOJUYMA-GOSISDBHSA-N 2 1 301.409 3.191 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148769 1095459533 /nfs/dbraw/zinc/45/95/33/1095459533.db2.gz SSPILPIUOJUYMA-GOSISDBHSA-N 2 1 301.409 3.191 20 0 DGADMP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222154119 1095461466 /nfs/dbraw/zinc/46/14/66/1095461466.db2.gz FSHFYJUINDMXTG-IBGZPJMESA-N 2 1 317.452 3.001 20 0 DGADMP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222154119 1095461471 /nfs/dbraw/zinc/46/14/71/1095461471.db2.gz FSHFYJUINDMXTG-IBGZPJMESA-N 2 1 317.452 3.001 20 0 DGADMP CC1(C)C[C@@H](C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001222155261 1095463469 /nfs/dbraw/zinc/46/34/69/1095463469.db2.gz YXDCAFXDULRCES-HKUYNNGSSA-N 2 1 308.510 3.437 20 0 DGADMP COc1cc(O)ccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222159936 1095466584 /nfs/dbraw/zinc/46/65/84/1095466584.db2.gz AFBDGHUVLNBOGM-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP COc1cc(O)ccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222159936 1095466586 /nfs/dbraw/zinc/46/65/86/1095466586.db2.gz AFBDGHUVLNBOGM-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP c1[nH+]c(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c2ccccn12 ZINC001222166676 1095471226 /nfs/dbraw/zinc/47/12/26/1095471226.db2.gz BOQDRFLIVCULKT-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP c1[nH]nc2cccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c12 ZINC001222167903 1095472706 /nfs/dbraw/zinc/47/27/06/1095472706.db2.gz UVMINRUUKUIDLF-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1cc2ccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)nc2[nH]1 ZINC001222167354 1095474435 /nfs/dbraw/zinc/47/44/35/1095474435.db2.gz KSHYTTGYFXWDCB-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)ncc2[nH]1 ZINC001222168264 1095475689 /nfs/dbraw/zinc/47/56/89/1095475689.db2.gz ZBBVSDCKCSVQDP-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP COc1cncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1C ZINC001222173736 1095477771 /nfs/dbraw/zinc/47/77/71/1095477771.db2.gz WUCGMMBDYXYKQB-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP COc1cncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1C ZINC001222173736 1095477774 /nfs/dbraw/zinc/47/77/74/1095477774.db2.gz WUCGMMBDYXYKQB-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC001116288041 1095505193 /nfs/dbraw/zinc/50/51/93/1095505193.db2.gz BLMXQZZBOPWIFU-HNAYVOBHSA-N 2 1 302.462 3.394 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC001116288043 1095505740 /nfs/dbraw/zinc/50/57/40/1095505740.db2.gz BLMXQZZBOPWIFU-KXBFYZLASA-N 2 1 302.462 3.394 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222259091 1095514551 /nfs/dbraw/zinc/51/45/51/1095514551.db2.gz JYKZFYVOVAFBGD-HXUWFJFHSA-N 2 1 314.473 3.299 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222259091 1095514559 /nfs/dbraw/zinc/51/45/59/1095514559.db2.gz JYKZFYVOVAFBGD-HXUWFJFHSA-N 2 1 314.473 3.299 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222264723 1095518293 /nfs/dbraw/zinc/51/82/93/1095518293.db2.gz HIYACDLCXNONHQ-FQEVSTJZSA-N 2 1 324.472 3.351 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222264723 1095518304 /nfs/dbraw/zinc/51/83/04/1095518304.db2.gz HIYACDLCXNONHQ-FQEVSTJZSA-N 2 1 324.472 3.351 20 0 DGADMP COc1ccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001222265049 1095519012 /nfs/dbraw/zinc/51/90/12/1095519012.db2.gz MQUGZCMJOWKQCJ-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1C ZINC001222264743 1095519288 /nfs/dbraw/zinc/51/92/88/1095519288.db2.gz IMTCZEFKKALOOC-IBGZPJMESA-N 2 1 302.462 3.278 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC001222272365 1095523057 /nfs/dbraw/zinc/52/30/57/1095523057.db2.gz SGBFIYXBULXOMA-IBGZPJMESA-N 2 1 302.462 3.278 20 0 DGADMP Fc1cccc2c(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccnc12 ZINC001222271763 1095524145 /nfs/dbraw/zinc/52/41/45/1095524145.db2.gz JQTQYULTYVDXAV-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP Fc1cccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccnc12 ZINC001222271763 1095524158 /nfs/dbraw/zinc/52/41/58/1095524158.db2.gz JQTQYULTYVDXAV-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP CCc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(CC)c1O ZINC001144148190 1095536780 /nfs/dbraw/zinc/53/67/80/1095536780.db2.gz OGEVNWCVIXTOBQ-UHFFFAOYSA-N 2 1 304.478 3.435 20 0 DGADMP CCc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(CC)c1O ZINC001144148190 1095536786 /nfs/dbraw/zinc/53/67/86/1095536786.db2.gz OGEVNWCVIXTOBQ-UHFFFAOYSA-N 2 1 304.478 3.435 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222308551 1095542271 /nfs/dbraw/zinc/54/22/71/1095542271.db2.gz JPXXICIYUVKOLM-GOSISDBHSA-N 2 1 324.415 3.439 20 0 DGADMP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314027 1095545436 /nfs/dbraw/zinc/54/54/36/1095545436.db2.gz AOYOXWDOVYWQAV-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314027 1095545446 /nfs/dbraw/zinc/54/54/46/1095545446.db2.gz AOYOXWDOVYWQAV-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222316115 1095546836 /nfs/dbraw/zinc/54/68/36/1095546836.db2.gz SPFKLQRSSDJFFS-FQEVSTJZSA-N 2 1 324.472 3.493 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116430668 1095549088 /nfs/dbraw/zinc/54/90/88/1095549088.db2.gz FUUHNMLGPUBPBI-HOTGVXAUSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116430668 1095549098 /nfs/dbraw/zinc/54/90/98/1095549098.db2.gz FUUHNMLGPUBPBI-HOTGVXAUSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116430668 1095549108 /nfs/dbraw/zinc/54/91/08/1095549108.db2.gz FUUHNMLGPUBPBI-HOTGVXAUSA-N 2 1 312.461 3.227 20 0 DGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320921 1095549566 /nfs/dbraw/zinc/54/95/66/1095549566.db2.gz OESYLONGFLNJLD-QGZVFWFLSA-N 2 1 318.852 3.324 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222465799 1095629191 /nfs/dbraw/zinc/62/91/91/1095629191.db2.gz YWPKCTWUBDPMQT-QUCCMNQESA-N 2 1 320.521 3.482 20 0 DGADMP C[NH+]1CCC(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001222508974 1095644705 /nfs/dbraw/zinc/64/47/05/1095644705.db2.gz GWTMPNQSJVUULR-QGZVFWFLSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC001222509677 1095644948 /nfs/dbraw/zinc/64/49/48/1095644948.db2.gz QZJRKSLTJYWAEF-YZGWKJHDSA-N 2 1 314.473 3.008 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C ZINC001222595640 1095681968 /nfs/dbraw/zinc/68/19/68/1095681968.db2.gz FTKVQUAXWJPSQS-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602260 1095687166 /nfs/dbraw/zinc/68/71/66/1095687166.db2.gz LXYBSCLWOKWDPN-HXUWFJFHSA-N 2 1 306.453 3.492 20 0 DGADMP CN(Cc1[nH+]cn2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144611563 1095731510 /nfs/dbraw/zinc/73/15/10/1095731510.db2.gz QWRFSYPGAZLECL-GOSISDBHSA-N 2 1 320.440 3.041 20 0 DGADMP CN(Cc1[nH+]cn2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144611563 1095731526 /nfs/dbraw/zinc/73/15/26/1095731526.db2.gz QWRFSYPGAZLECL-GOSISDBHSA-N 2 1 320.440 3.041 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1[nH+]cn2ccccc12 ZINC001144625379 1095736459 /nfs/dbraw/zinc/73/64/59/1095736459.db2.gz KWEXIWIDHRFGDY-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1[nH+]cn2ccccc12 ZINC001144625379 1095736468 /nfs/dbraw/zinc/73/64/68/1095736468.db2.gz KWEXIWIDHRFGDY-IRXDYDNUSA-N 2 1 312.461 3.173 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC001117748719 1095833292 /nfs/dbraw/zinc/83/32/92/1095833292.db2.gz JPMLVSKXDJCIDN-CRAIPNDOSA-N 2 1 318.461 3.246 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001340063403 1095845163 /nfs/dbraw/zinc/84/51/63/1095845163.db2.gz KTTNAACVNGLGLP-NEPJUHHUSA-N 2 1 300.418 3.304 20 0 DGADMP CC(=O)Oc1cccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001138043041 1095852370 /nfs/dbraw/zinc/85/23/70/1095852370.db2.gz MCGWXLFJYCBHJZ-UHFFFAOYSA-N 2 1 318.461 3.164 20 0 DGADMP CCCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC001118314934 1095982663 /nfs/dbraw/zinc/98/26/63/1095982663.db2.gz DUURMLMCIMLAPF-XUVXKRRUSA-N 2 1 316.489 3.500 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001246818879 1095996652 /nfs/dbraw/zinc/99/66/52/1095996652.db2.gz BYXOLIXWJAEWLB-OCCSQVGLSA-N 2 1 311.267 3.236 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@H]1CCc2cccc(Br)c2C1 ZINC001246833961 1096003894 /nfs/dbraw/zinc/00/38/94/1096003894.db2.gz SDYDCNXCNQOAIJ-KBPBESRZSA-N 2 1 323.278 3.120 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001341042923 1096104267 /nfs/dbraw/zinc/10/42/67/1096104267.db2.gz CVPDGKHAIUJNJH-DLBZAZTESA-N 2 1 301.478 3.441 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001341042923 1096104272 /nfs/dbraw/zinc/10/42/72/1096104272.db2.gz CVPDGKHAIUJNJH-DLBZAZTESA-N 2 1 301.478 3.441 20 0 DGADMP CC(C)C[N@H+](Cc1cnc(N(C)C)s1)CC1CC[NH+](C)CC1 ZINC001119303587 1096158966 /nfs/dbraw/zinc/15/89/66/1096158966.db2.gz DHOWHFZLHKGXRF-UHFFFAOYSA-N 2 1 324.538 3.009 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC001119629877 1096237146 /nfs/dbraw/zinc/23/71/46/1096237146.db2.gz BIMBUJUAYAGUPX-XYVMCAHJSA-N 2 1 316.493 3.208 20 0 DGADMP Cc1cccc(N[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)[nH+]1 ZINC001276981241 1096240434 /nfs/dbraw/zinc/24/04/34/1096240434.db2.gz UUFQBDCWRCIKIK-MSOLQXFVSA-N 2 1 311.433 3.160 20 0 DGADMP C[C@@H]([NH2+]CCSc1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119731274 1096251694 /nfs/dbraw/zinc/25/16/94/1096251694.db2.gz CRVXAIASSXODKD-CVEARBPZSA-N 2 1 319.518 3.416 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCCC[NH+]1C ZINC001224706661 1096267843 /nfs/dbraw/zinc/26/78/43/1096267843.db2.gz KXMPTKKDQCOZTG-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCCC[N@@H+]1C ZINC001224706661 1096267846 /nfs/dbraw/zinc/26/78/46/1096267846.db2.gz KXMPTKKDQCOZTG-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224706661 1096267850 /nfs/dbraw/zinc/26/78/50/1096267850.db2.gz KXMPTKKDQCOZTG-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@H]1CCCC[NH+]1C ZINC001224706520 1096268242 /nfs/dbraw/zinc/26/82/42/1096268242.db2.gz KXMPTKKDQCOZTG-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@H]1CCCC[N@@H+]1C ZINC001224706520 1096268251 /nfs/dbraw/zinc/26/82/51/1096268251.db2.gz KXMPTKKDQCOZTG-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224706520 1096268256 /nfs/dbraw/zinc/26/82/56/1096268256.db2.gz KXMPTKKDQCOZTG-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001224704577 1096268595 /nfs/dbraw/zinc/26/85/95/1096268595.db2.gz ARRQWGIHHITJDN-SJORKVTESA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224704577 1096268600 /nfs/dbraw/zinc/26/86/00/1096268600.db2.gz ARRQWGIHHITJDN-SJORKVTESA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224704577 1096268605 /nfs/dbraw/zinc/26/86/05/1096268605.db2.gz ARRQWGIHHITJDN-SJORKVTESA-N 2 1 322.880 3.415 20 0 DGADMP C[N@H+]1CCCC[C@@H]1COC1CC[NH+](CCc2ccccc2)CC1 ZINC001224706339 1096268757 /nfs/dbraw/zinc/26/87/57/1096268757.db2.gz JMIDSMXAGNLKEG-LJQANCHMSA-N 2 1 316.489 3.194 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(NC[C@H]3CCCC[NH2+]3)c(C)c2)CC1 ZINC001171329437 1096353438 /nfs/dbraw/zinc/35/34/38/1096353438.db2.gz WFSWVRYVSYWQBA-GOSISDBHSA-N 2 1 314.477 3.053 20 0 DGADMP Nc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001226653325 1096744033 /nfs/dbraw/zinc/74/40/33/1096744033.db2.gz HBZPUYHAKBPEHT-VQFNDLOPSA-N 2 1 309.413 3.238 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506171 1096913757 /nfs/dbraw/zinc/91/37/57/1096913757.db2.gz SRBSFBRPPZBXMD-STQMWFEESA-N 2 1 312.379 3.035 20 0 DGADMP Cc1cccc2c1CC[C@@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001171566529 1096925454 /nfs/dbraw/zinc/92/54/54/1096925454.db2.gz JZTIOQNZPJLZPU-LJQANCHMSA-N 2 1 310.485 3.270 20 0 DGADMP Cc1cccc2c1CC[C@@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001171566529 1096925459 /nfs/dbraw/zinc/92/54/59/1096925459.db2.gz JZTIOQNZPJLZPU-LJQANCHMSA-N 2 1 310.485 3.270 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171628890 1096930157 /nfs/dbraw/zinc/93/01/57/1096930157.db2.gz LPGFVMJMGQKQHK-DOTOQJQBSA-N 2 1 309.542 3.346 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171628890 1096930160 /nfs/dbraw/zinc/93/01/60/1096930160.db2.gz LPGFVMJMGQKQHK-DOTOQJQBSA-N 3 1 309.542 3.346 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171628890 1096930163 /nfs/dbraw/zinc/93/01/63/1096930163.db2.gz LPGFVMJMGQKQHK-DOTOQJQBSA-N 3 1 309.542 3.346 20 0 DGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171597406 1096932541 /nfs/dbraw/zinc/93/25/41/1096932541.db2.gz YHKJOERRTIHPRY-INIZCTEOSA-N 2 1 313.530 3.172 20 0 DGADMP CN(CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC001171622047 1096936179 /nfs/dbraw/zinc/93/61/79/1096936179.db2.gz RZJKVUTXCSURIF-UHFFFAOYSA-N 2 1 317.521 3.359 20 0 DGADMP C[NH+]1C(C)(C)CC(N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1(C)C ZINC001171627360 1096938892 /nfs/dbraw/zinc/93/88/92/1096938892.db2.gz QUAGCGMTTDVVGF-OAHLLOKOSA-N 2 1 307.526 3.244 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](Oc3ccncc3)C2)CC1(C)C ZINC001171643934 1096950183 /nfs/dbraw/zinc/95/01/83/1096950183.db2.gz YMSBJMUMSJYWIT-KRWDZBQOSA-N 2 1 317.477 3.186 20 0 DGADMP C[C@H]1C[C@H](n2cnc3ccc(C[NH3+])cc32)C[N@H+]1Cc1ccccc1 ZINC001171729940 1096956682 /nfs/dbraw/zinc/95/66/82/1096956682.db2.gz VKQAUBZANRSNIW-YJBOKZPZSA-N 2 1 320.440 3.331 20 0 DGADMP C[NH2+]Cc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001171758637 1096962974 /nfs/dbraw/zinc/96/29/74/1096962974.db2.gz ZMMAVIKMFNZHLJ-OXQOHEQNSA-N 2 1 309.457 3.481 20 0 DGADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171759664 1096964202 /nfs/dbraw/zinc/96/42/02/1096964202.db2.gz LNZPAXIGQDSFIV-MISYRCLQSA-N 2 1 315.505 3.066 20 0 DGADMP CCCC[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760836 1096965082 /nfs/dbraw/zinc/96/50/82/1096965082.db2.gz AVVLJWMTNOFORQ-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1C[C@@H](N(C)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171761094 1096965529 /nfs/dbraw/zinc/96/55/29/1096965529.db2.gz BTEQZXGWIIAEAN-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CCCN(CCC[NH+](C)C)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171765938 1096966138 /nfs/dbraw/zinc/96/61/38/1096966138.db2.gz AOXDYJICQVTPQZ-ICSRJNTNSA-N 2 1 317.521 3.313 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785130 1096977712 /nfs/dbraw/zinc/97/77/12/1096977712.db2.gz KSBMNXJWCDRVSE-DJIMGWMZSA-N 2 1 302.437 3.417 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786221 1096978277 /nfs/dbraw/zinc/97/82/77/1096978277.db2.gz YWKVSSBDHMXQCA-ULQDDVLXSA-N 2 1 302.437 3.275 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001171860744 1096993090 /nfs/dbraw/zinc/99/30/90/1096993090.db2.gz JHQMRXQOXDMMEC-NVXWUHKLSA-N 2 1 323.525 3.066 20 0 DGADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962028 1097005175 /nfs/dbraw/zinc/00/51/75/1097005175.db2.gz BCZUZGUTDZMVPP-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962028 1097005182 /nfs/dbraw/zinc/00/51/82/1097005182.db2.gz BCZUZGUTDZMVPP-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962028 1097005189 /nfs/dbraw/zinc/00/51/89/1097005189.db2.gz BCZUZGUTDZMVPP-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962028 1097005196 /nfs/dbraw/zinc/00/51/96/1097005196.db2.gz BCZUZGUTDZMVPP-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962028 1097005201 /nfs/dbraw/zinc/00/52/01/1097005201.db2.gz BCZUZGUTDZMVPP-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001171963137 1097006565 /nfs/dbraw/zinc/00/65/65/1097006565.db2.gz DQEWPSGGRIKYDT-CYBMUJFWSA-N 2 1 323.362 3.391 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001171963137 1097006572 /nfs/dbraw/zinc/00/65/72/1097006572.db2.gz DQEWPSGGRIKYDT-CYBMUJFWSA-N 2 1 323.362 3.391 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966749 1097007837 /nfs/dbraw/zinc/00/78/37/1097007837.db2.gz WOHJTHLJYVWCMO-SFHVURJKSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)(CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967177 1097008102 /nfs/dbraw/zinc/00/81/02/1097008102.db2.gz YALLGOFLQCDLIA-KRWDZBQOSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc(C[NH3+])nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968087 1097008429 /nfs/dbraw/zinc/00/84/29/1097008429.db2.gz ODDSCBOTSYFTOB-GOSISDBHSA-N 2 1 312.461 3.266 20 0 DGADMP CN(Cc1ccncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991527 1097016607 /nfs/dbraw/zinc/01/66/07/1097016607.db2.gz ZNHFZBPOMOSBSS-LJQANCHMSA-N 2 1 324.472 3.352 20 0 DGADMP CCCN(CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969558 1097019244 /nfs/dbraw/zinc/01/92/44/1097019244.db2.gz VDWITLPQKKMTEU-IBGZPJMESA-N 2 1 317.521 3.490 20 0 DGADMP CC(C)(CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971940 1097022031 /nfs/dbraw/zinc/02/20/31/1097022031.db2.gz LINXZSVAOUHLCI-QGZVFWFLSA-N 2 1 304.478 3.180 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC(C3COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974954 1097023877 /nfs/dbraw/zinc/02/38/77/1097023877.db2.gz BFEQUPUTXACVQZ-IBGZPJMESA-N 2 1 314.473 3.008 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976520 1097024696 /nfs/dbraw/zinc/02/46/96/1097024696.db2.gz SJLYNQWFVAIHAZ-MOPGFXCFSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977473 1097025753 /nfs/dbraw/zinc/02/57/53/1097025753.db2.gz RLXIQBVGKMDBBT-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977473 1097025761 /nfs/dbraw/zinc/02/57/61/1097025761.db2.gz RLXIQBVGKMDBBT-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977473 1097025766 /nfs/dbraw/zinc/02/57/66/1097025766.db2.gz RLXIQBVGKMDBBT-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977473 1097025769 /nfs/dbraw/zinc/02/57/69/1097025769.db2.gz RLXIQBVGKMDBBT-QRQLOZEOSA-N 2 1 316.489 3.132 20 0 DGADMP CO[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978536 1097026498 /nfs/dbraw/zinc/02/64/98/1097026498.db2.gz ZEECMDPJLFDWAT-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978536 1097026504 /nfs/dbraw/zinc/02/65/04/1097026504.db2.gz ZEECMDPJLFDWAT-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978536 1097026508 /nfs/dbraw/zinc/02/65/08/1097026508.db2.gz ZEECMDPJLFDWAT-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP CC1(C)C[C@@H]([NH+]2C[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171983441 1097027947 /nfs/dbraw/zinc/02/79/47/1097027947.db2.gz XEZUNJWGQLNLMN-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983441 1097027953 /nfs/dbraw/zinc/02/79/53/1097027953.db2.gz XEZUNJWGQLNLMN-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983441 1097027956 /nfs/dbraw/zinc/02/79/56/1097027956.db2.gz XEZUNJWGQLNLMN-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+]([C@H]1CCOC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987939 1097028998 /nfs/dbraw/zinc/02/89/98/1097028998.db2.gz MIIHIPCSGLVBIX-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+]([C@H]1CCOC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987939 1097029004 /nfs/dbraw/zinc/02/90/04/1097029004.db2.gz MIIHIPCSGLVBIX-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987939 1097029009 /nfs/dbraw/zinc/02/90/09/1097029009.db2.gz MIIHIPCSGLVBIX-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987939 1097029011 /nfs/dbraw/zinc/02/90/11/1097029011.db2.gz MIIHIPCSGLVBIX-ROUUACIJSA-N 2 1 302.462 3.150 20 0 DGADMP CCN(C1COC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988496 1097029157 /nfs/dbraw/zinc/02/91/57/1097029157.db2.gz RZKMAMISARCPQD-KRWDZBQOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988469 1097030349 /nfs/dbraw/zinc/03/03/49/1097030349.db2.gz RUARJGXPHFOGDV-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988469 1097030356 /nfs/dbraw/zinc/03/03/56/1097030356.db2.gz RUARJGXPHFOGDV-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988469 1097030363 /nfs/dbraw/zinc/03/03/63/1097030363.db2.gz RUARJGXPHFOGDV-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988469 1097030370 /nfs/dbraw/zinc/03/03/70/1097030370.db2.gz RUARJGXPHFOGDV-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988469 1097030377 /nfs/dbraw/zinc/03/03/77/1097030377.db2.gz RUARJGXPHFOGDV-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072749 1097038878 /nfs/dbraw/zinc/03/88/78/1097038878.db2.gz MVZBTDLJLPRQIS-HAGHYFMRSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069355 1097045232 /nfs/dbraw/zinc/04/52/32/1097045232.db2.gz TXGFFISGCXYMSS-YSTOQKLRSA-N 2 1 316.489 3.179 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1C[NH2+]Cc1ccccc1)C2 ZINC001172130007 1097049451 /nfs/dbraw/zinc/04/94/51/1097049451.db2.gz MYGXJFMVBHCOFG-BWTSREIZSA-N 2 1 324.472 3.361 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130831 1097049506 /nfs/dbraw/zinc/04/95/06/1097049506.db2.gz SHZXLDSOXBAPBN-FVQHAEBGSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130831 1097049508 /nfs/dbraw/zinc/04/95/08/1097049508.db2.gz SHZXLDSOXBAPBN-FVQHAEBGSA-N 2 1 322.493 3.057 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)C2 ZINC001172103090 1097052134 /nfs/dbraw/zinc/05/21/34/1097052134.db2.gz RNUXNSIHTMASNH-QKDCVEJESA-N 2 1 310.388 3.393 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172104600 1097053201 /nfs/dbraw/zinc/05/32/01/1097053201.db2.gz DIYKAYCZXRVRNV-BCDXTJNWSA-N 2 1 311.473 3.326 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001172102273 1097053528 /nfs/dbraw/zinc/05/35/28/1097053528.db2.gz LOVUBPWZVOJWHT-BJWYYQGGSA-N 2 1 311.429 3.447 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001172102273 1097053532 /nfs/dbraw/zinc/05/35/32/1097053532.db2.gz LOVUBPWZVOJWHT-BJWYYQGGSA-N 2 1 311.429 3.447 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105535 1097054544 /nfs/dbraw/zinc/05/45/44/1097054544.db2.gz IYBKMBQAALNHPK-AFIMGQEJSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105535 1097054548 /nfs/dbraw/zinc/05/45/48/1097054548.db2.gz IYBKMBQAALNHPK-AFIMGQEJSA-N 2 1 300.446 3.287 20 0 DGADMP COc1c(F)ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172105803 1097054583 /nfs/dbraw/zinc/05/45/83/1097054583.db2.gz KMUFDHLPSKOSAZ-ZSOGYDGISA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172105803 1097054586 /nfs/dbraw/zinc/05/45/86/1097054586.db2.gz KMUFDHLPSKOSAZ-ZSOGYDGISA-N 2 1 310.388 3.078 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001172108458 1097054805 /nfs/dbraw/zinc/05/48/05/1097054805.db2.gz AKRWWVSYQJYKJM-DFGXFYAUSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172108458 1097054811 /nfs/dbraw/zinc/05/48/11/1097054811.db2.gz AKRWWVSYQJYKJM-DFGXFYAUSA-N 2 1 300.446 3.424 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1-c1ccc(C[NH3+])cc1)C2 ZINC001172108647 1097055270 /nfs/dbraw/zinc/05/52/70/1097055270.db2.gz CPZXXOXXWKGZCO-PIIMJCKOSA-N 2 1 310.445 3.197 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105479 1097055460 /nfs/dbraw/zinc/05/54/60/1097055460.db2.gz HZOSHVGAZNCBED-ZJPYXAASSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105479 1097055464 /nfs/dbraw/zinc/05/54/64/1097055464.db2.gz HZOSHVGAZNCBED-ZJPYXAASSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3c(F)cccc31)C2 ZINC001172107988 1097055661 /nfs/dbraw/zinc/05/56/61/1097055661.db2.gz NFOZFAAOMAHATA-UMPJEAMMSA-N 2 1 304.409 3.254 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110540 1097057333 /nfs/dbraw/zinc/05/73/33/1097057333.db2.gz KDLPVQZALOLQTJ-GDBXOISBSA-N 2 1 305.510 3.126 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110540 1097057337 /nfs/dbraw/zinc/05/73/37/1097057337.db2.gz KDLPVQZALOLQTJ-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110540 1097057343 /nfs/dbraw/zinc/05/73/43/1097057343.db2.gz KDLPVQZALOLQTJ-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110540 1097057347 /nfs/dbraw/zinc/05/73/47/1097057347.db2.gz KDLPVQZALOLQTJ-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110540 1097057350 /nfs/dbraw/zinc/05/73/50/1097057350.db2.gz KDLPVQZALOLQTJ-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157205 1097057739 /nfs/dbraw/zinc/05/77/39/1097057739.db2.gz XMEQYXQMDLXWSW-CABCVRRESA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157205 1097057743 /nfs/dbraw/zinc/05/77/43/1097057743.db2.gz XMEQYXQMDLXWSW-CABCVRRESA-N 2 1 318.358 3.399 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ncccn3)cc1)C2 ZINC001172112653 1097058102 /nfs/dbraw/zinc/05/81/02/1097058102.db2.gz YMIAUJNWEZBHSB-LDLYASANSA-N 2 1 322.456 3.249 20 0 DGADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172112138 1097058157 /nfs/dbraw/zinc/05/81/57/1097058157.db2.gz SASFIDOBGQVVBP-BJWYYQGGSA-N 2 1 301.478 3.273 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)C2 ZINC001172113441 1097059453 /nfs/dbraw/zinc/05/94/53/1097059453.db2.gz HDJIKYQNRVQCMD-OWZKRDHZSA-N 3 1 319.537 3.103 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)C2 ZINC001172113441 1097059458 /nfs/dbraw/zinc/05/94/58/1097059458.db2.gz HDJIKYQNRVQCMD-OWZKRDHZSA-N 2 1 319.537 3.103 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1([C@@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112885 1097059926 /nfs/dbraw/zinc/05/99/26/1097059926.db2.gz GMGGJONRODXFQV-VQHPVUNQSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1([C@@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112885 1097059930 /nfs/dbraw/zinc/05/99/30/1097059930.db2.gz GMGGJONRODXFQV-VQHPVUNQSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114638 1097061460 /nfs/dbraw/zinc/06/14/60/1097061460.db2.gz RPGWWUXZRUIEOQ-FZKCQIBNSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114638 1097061465 /nfs/dbraw/zinc/06/14/65/1097061465.db2.gz RPGWWUXZRUIEOQ-FZKCQIBNSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114638 1097061471 /nfs/dbraw/zinc/06/14/71/1097061471.db2.gz RPGWWUXZRUIEOQ-FZKCQIBNSA-N 2 1 324.465 3.028 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)OCO2 ZINC001172114618 1097061526 /nfs/dbraw/zinc/06/15/26/1097061526.db2.gz OVBHAUSASLWPJF-MIGQKNRLSA-N 2 1 302.418 3.081 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCO2 ZINC001172114618 1097061532 /nfs/dbraw/zinc/06/15/32/1097061532.db2.gz OVBHAUSASLWPJF-MIGQKNRLSA-N 2 1 302.418 3.081 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157307 1097061589 /nfs/dbraw/zinc/06/15/89/1097061589.db2.gz XMEQYXQMDLXWSW-HUUCEWRRSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157307 1097061596 /nfs/dbraw/zinc/06/15/96/1097061596.db2.gz XMEQYXQMDLXWSW-HUUCEWRRSA-N 2 1 318.358 3.399 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172116270 1097062531 /nfs/dbraw/zinc/06/25/31/1097062531.db2.gz ZTCNYWYRHWHOLP-FNLKRUPLSA-N 3 1 319.537 3.388 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172120431 1097064102 /nfs/dbraw/zinc/06/41/02/1097064102.db2.gz FJMHEQBLMKKNMR-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172120431 1097064108 /nfs/dbraw/zinc/06/41/08/1097064108.db2.gz FJMHEQBLMKKNMR-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172120431 1097064113 /nfs/dbraw/zinc/06/41/13/1097064113.db2.gz FJMHEQBLMKKNMR-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001172123495 1097066296 /nfs/dbraw/zinc/06/62/96/1097066296.db2.gz DKUDRTDYHPQTKY-UHZRXMQZSA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)C2 ZINC001172123495 1097066301 /nfs/dbraw/zinc/06/63/01/1097066301.db2.gz DKUDRTDYHPQTKY-UHZRXMQZSA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)C2 ZINC001172123495 1097066306 /nfs/dbraw/zinc/06/63/06/1097066306.db2.gz DKUDRTDYHPQTKY-UHZRXMQZSA-N 3 1 319.537 3.341 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc(OC)c1 ZINC001172122881 1097067055 /nfs/dbraw/zinc/06/70/55/1097067055.db2.gz UQHPCTCETYWRLC-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC001172122881 1097067061 /nfs/dbraw/zinc/06/70/61/1097067061.db2.gz UQHPCTCETYWRLC-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC001172122881 1097067068 /nfs/dbraw/zinc/06/70/68/1097067068.db2.gz UQHPCTCETYWRLC-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CSc3ccccc3C2)[C@H](C)C1 ZINC001172194618 1097084676 /nfs/dbraw/zinc/08/46/76/1097084676.db2.gz VRBCRTAEFWLLCS-DJIMGWMZSA-N 2 1 304.503 3.412 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001172253043 1097092539 /nfs/dbraw/zinc/09/25/39/1097092539.db2.gz ZYYNZBMOJSFAOO-LJQANCHMSA-N 2 1 320.452 3.464 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001172253043 1097092546 /nfs/dbraw/zinc/09/25/46/1097092546.db2.gz ZYYNZBMOJSFAOO-LJQANCHMSA-N 2 1 320.452 3.464 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)CCCc2ccccc2)CC1 ZINC001172255432 1097092905 /nfs/dbraw/zinc/09/29/05/1097092905.db2.gz QVKQDGQPNBROEN-UHFFFAOYSA-N 2 1 304.478 3.052 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)CCCc2ccccc2)CC1 ZINC001172255432 1097092910 /nfs/dbraw/zinc/09/29/10/1097092910.db2.gz QVKQDGQPNBROEN-UHFFFAOYSA-N 2 1 304.478 3.052 20 0 DGADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001172402940 1097128907 /nfs/dbraw/zinc/12/89/07/1097128907.db2.gz PYWLDHJRVCNUSB-HSALFYBXSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001172402940 1097128909 /nfs/dbraw/zinc/12/89/09/1097128909.db2.gz PYWLDHJRVCNUSB-HSALFYBXSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001172402940 1097128911 /nfs/dbraw/zinc/12/89/11/1097128911.db2.gz PYWLDHJRVCNUSB-HSALFYBXSA-N 2 1 322.537 3.491 20 0 DGADMP CCOCC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001172411217 1097132460 /nfs/dbraw/zinc/13/24/60/1097132460.db2.gz GCQGYTKZNLBMMI-AWEZNQCLSA-N 2 1 310.869 3.405 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172429471 1097138408 /nfs/dbraw/zinc/13/84/08/1097138408.db2.gz ZCQATHUJQIJTHV-QGZVFWFLSA-N 2 1 304.478 3.398 20 0 DGADMP Cc1ccc[nH+]c1N([C@H](C)CCOC(C)C)C1CC[NH2+]CC1 ZINC001172460492 1097162123 /nfs/dbraw/zinc/16/21/23/1097162123.db2.gz OILWACCXZOIKNI-MRXNPFEDSA-N 2 1 305.466 3.152 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172724106 1097218623 /nfs/dbraw/zinc/21/86/23/1097218623.db2.gz KCJJHHNMJZLNPU-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172724106 1097218626 /nfs/dbraw/zinc/21/86/26/1097218626.db2.gz KCJJHHNMJZLNPU-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172724106 1097218627 /nfs/dbraw/zinc/21/86/27/1097218627.db2.gz KCJJHHNMJZLNPU-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001228931399 1097219808 /nfs/dbraw/zinc/21/98/08/1097219808.db2.gz AUYXBBOVRYYQNK-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172751029 1097225911 /nfs/dbraw/zinc/22/59/11/1097225911.db2.gz IDJNSHJFWXCTRK-XIRDDKMYSA-N 2 1 310.482 3.089 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000323745461 1097226468 /nfs/dbraw/zinc/22/64/68/1097226468.db2.gz RVRHYDGGPTVMPU-MRXNPFEDSA-N 2 1 317.477 3.258 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172755910 1097231094 /nfs/dbraw/zinc/23/10/94/1097231094.db2.gz LCEJGWGGBJNVNV-FUHWJXTLSA-N 2 1 320.477 3.389 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001172764305 1097233943 /nfs/dbraw/zinc/23/39/43/1097233943.db2.gz AJHAQQYOFDAOJU-XMTFNYHQSA-N 2 1 324.509 3.066 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172775075 1097237507 /nfs/dbraw/zinc/23/75/07/1097237507.db2.gz FGBYXFINGWBPLH-BRSBDYLESA-N 2 1 324.509 3.336 20 0 DGADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928863 1097284008 /nfs/dbraw/zinc/28/40/08/1097284008.db2.gz LYNOQQSUBBQAQX-VJANTYMQSA-N 2 1 317.477 3.111 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928598 1097284266 /nfs/dbraw/zinc/28/42/66/1097284266.db2.gz LYNOQQSUBBQAQX-CADBVGFASA-N 2 1 317.477 3.111 20 0 DGADMP NC[C@H]1Cc2ccccc2C[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046669 1097311186 /nfs/dbraw/zinc/31/11/86/1097311186.db2.gz UHIXIUKQMCCOPI-LJQANCHMSA-N 2 1 314.473 3.111 20 0 DGADMP NC[C@H]1Cc2ccccc2C[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046669 1097311192 /nfs/dbraw/zinc/31/11/92/1097311192.db2.gz UHIXIUKQMCCOPI-LJQANCHMSA-N 2 1 314.473 3.111 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173101618 1097329039 /nfs/dbraw/zinc/32/90/39/1097329039.db2.gz LKSQJDAXMIWXMA-OFLPRAFFSA-N 2 1 312.498 3.207 20 0 DGADMP CC[NH+](CC)C1CCC([NH+]2CCN(CC3CCCC3)CC2)CC1 ZINC001173111397 1097333104 /nfs/dbraw/zinc/33/31/04/1097333104.db2.gz DHNMORUXDUCTPN-UHFFFAOYSA-N 2 1 321.553 3.447 20 0 DGADMP CCCCOC(=O)[C@@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173117436 1097333843 /nfs/dbraw/zinc/33/38/43/1097333843.db2.gz LMRUXJIHSOICMX-WWDZGPRUSA-N 2 1 324.509 3.305 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001173117835 1097334409 /nfs/dbraw/zinc/33/44/09/1097334409.db2.gz ZIMGQYHUKLMIMQ-OFLPRAFFSA-N 2 1 302.466 3.267 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC001173168728 1097363481 /nfs/dbraw/zinc/36/34/81/1097363481.db2.gz YNXPFFZQYDGURJ-LFAQGZIKSA-N 2 1 314.473 3.054 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)C1 ZINC001173276619 1097409738 /nfs/dbraw/zinc/40/97/38/1097409738.db2.gz JEDZEPFDBLFYHB-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276619 1097409740 /nfs/dbraw/zinc/40/97/40/1097409740.db2.gz JEDZEPFDBLFYHB-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276619 1097409742 /nfs/dbraw/zinc/40/97/42/1097409742.db2.gz JEDZEPFDBLFYHB-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277155 1097410168 /nfs/dbraw/zinc/41/01/68/1097410168.db2.gz JNQXTHWMAJIHRP-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@@H]1CC[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277155 1097410170 /nfs/dbraw/zinc/41/01/70/1097410170.db2.gz JNQXTHWMAJIHRP-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)C1 ZINC001173277155 1097410173 /nfs/dbraw/zinc/41/01/73/1097410173.db2.gz JNQXTHWMAJIHRP-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)C1 ZINC001173277155 1097410178 /nfs/dbraw/zinc/41/01/78/1097410178.db2.gz JNQXTHWMAJIHRP-CVEARBPZSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278928 1097411033 /nfs/dbraw/zinc/41/10/33/1097411033.db2.gz IWEVERYBHLPJDB-IJXRJRJASA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278928 1097411037 /nfs/dbraw/zinc/41/10/37/1097411037.db2.gz IWEVERYBHLPJDB-IJXRJRJASA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278928 1097411039 /nfs/dbraw/zinc/41/10/39/1097411039.db2.gz IWEVERYBHLPJDB-IJXRJRJASA-N 2 1 320.521 3.388 20 0 DGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCCC2(CCCCC2)C1 ZINC001173340690 1097422956 /nfs/dbraw/zinc/42/29/56/1097422956.db2.gz FROAYLLCYSTBNR-GOSISDBHSA-N 3 1 309.542 3.482 20 0 DGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CCCC2(CCCCC2)C1 ZINC001173340690 1097422960 /nfs/dbraw/zinc/42/29/60/1097422960.db2.gz FROAYLLCYSTBNR-GOSISDBHSA-N 3 1 309.542 3.482 20 0 DGADMP Fc1cc2c(cc1F)CC([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001173476100 1097444966 /nfs/dbraw/zinc/44/49/66/1097444966.db2.gz PBUCYYQYMUUXFT-OAHLLOKOSA-N 2 1 320.427 3.429 20 0 DGADMP Fc1cc2c(cc1F)CC([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001173476100 1097444971 /nfs/dbraw/zinc/44/49/71/1097444971.db2.gz PBUCYYQYMUUXFT-OAHLLOKOSA-N 2 1 320.427 3.429 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001173458632 1097453317 /nfs/dbraw/zinc/45/33/17/1097453317.db2.gz XCUZIPYXTVJCSA-FGTMMUONSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173458632 1097453320 /nfs/dbraw/zinc/45/33/20/1097453320.db2.gz XCUZIPYXTVJCSA-FGTMMUONSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001173458632 1097453321 /nfs/dbraw/zinc/45/33/21/1097453321.db2.gz XCUZIPYXTVJCSA-FGTMMUONSA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+](C)CCOc1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001174039240 1097596842 /nfs/dbraw/zinc/59/68/42/1097596842.db2.gz ZVSHNCGGBBJPLS-UHFFFAOYSA-N 2 1 307.397 3.341 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCOc1ccccc1F)C2 ZINC001277499122 1097700364 /nfs/dbraw/zinc/70/03/64/1097700364.db2.gz KEHZHARABIQDKC-GOSISDBHSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCOc1ccccc1F)C2 ZINC001277499122 1097700372 /nfs/dbraw/zinc/70/03/72/1097700372.db2.gz KEHZHARABIQDKC-GOSISDBHSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCOc1ccccc1F)C2 ZINC001277499122 1097700379 /nfs/dbraw/zinc/70/03/79/1097700379.db2.gz KEHZHARABIQDKC-GOSISDBHSA-N 2 1 306.425 3.012 20 0 DGADMP COCC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CCN(C)CC1 ZINC001231788745 1097842792 /nfs/dbraw/zinc/84/27/92/1097842792.db2.gz WJDAQKSWRHFZMG-UHFFFAOYSA-N 2 1 318.505 3.428 20 0 DGADMP COCCN(Cc1ccc(CC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001231788745 1097842798 /nfs/dbraw/zinc/84/27/98/1097842798.db2.gz WJDAQKSWRHFZMG-UHFFFAOYSA-N 2 1 318.505 3.428 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2c[nH]c3c2cccc3OC)CC1 ZINC001231900317 1097884540 /nfs/dbraw/zinc/88/45/40/1097884540.db2.gz HULQZHBFTMCZPJ-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3c2cccc3OC)CC1 ZINC001231900317 1097884546 /nfs/dbraw/zinc/88/45/46/1097884546.db2.gz HULQZHBFTMCZPJ-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c[nH]nc3c2)CC1 ZINC001231906557 1097887943 /nfs/dbraw/zinc/88/79/43/1097887943.db2.gz CFEYZOSPLJFDLP-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP Cc1cc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)cnc1F ZINC001231926050 1097893681 /nfs/dbraw/zinc/89/36/81/1097893681.db2.gz HEMHGWQQUZZGSJ-UHFFFAOYSA-N 2 1 310.376 3.347 20 0 DGADMP Cc1cc(CN(C)Cc2ccc(-n3ccnc3)cc2)cnc1F ZINC001231926050 1097893689 /nfs/dbraw/zinc/89/36/89/1097893689.db2.gz HEMHGWQQUZZGSJ-UHFFFAOYSA-N 2 1 310.376 3.347 20 0 DGADMP COc1cccc2[nH]cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)c21 ZINC001232037649 1097922560 /nfs/dbraw/zinc/92/25/60/1097922560.db2.gz ZPBOYJUPLZXONW-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(OC)c12 ZINC001232040606 1097923826 /nfs/dbraw/zinc/92/38/26/1097923826.db2.gz ZXYGQEJFVKFNHU-UHFFFAOYSA-N 2 1 303.450 3.340 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001232144251 1097949111 /nfs/dbraw/zinc/94/91/11/1097949111.db2.gz KZDNFVSAAHMVJQ-OAHLLOKOSA-N 2 1 318.358 3.457 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147696 1097950149 /nfs/dbraw/zinc/95/01/49/1097950149.db2.gz SEWYBTBUIGSIID-SFHVURJKSA-N 2 1 308.441 3.278 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1 ZINC001232143720 1097950540 /nfs/dbraw/zinc/95/05/40/1097950540.db2.gz BYYXEHSOFHMFMD-GOSISDBHSA-N 2 1 306.425 3.032 20 0 DGADMP CCC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CCOCC1 ZINC001232149933 1097951818 /nfs/dbraw/zinc/95/18/18/1097951818.db2.gz QHNBULJINGGCOO-UHFFFAOYSA-N 2 1 308.441 3.278 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232219179 1097971965 /nfs/dbraw/zinc/97/19/65/1097971965.db2.gz MPEDOAZNKGFILH-UHFFFAOYSA-N 2 1 324.472 3.405 20 0 DGADMP C[N@H+](Cc1cccn1Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001232232255 1097975687 /nfs/dbraw/zinc/97/56/87/1097975687.db2.gz KPZICQHHJRMISA-UHFFFAOYSA-N 2 1 311.473 3.310 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238406 1097979120 /nfs/dbraw/zinc/97/91/20/1097979120.db2.gz LSBQVCKHLLJIAX-HXUWFJFHSA-N 2 1 309.457 3.064 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238406 1097979126 /nfs/dbraw/zinc/97/91/26/1097979126.db2.gz LSBQVCKHLLJIAX-HXUWFJFHSA-N 2 1 309.457 3.064 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238406 1097979132 /nfs/dbraw/zinc/97/91/32/1097979132.db2.gz LSBQVCKHLLJIAX-HXUWFJFHSA-N 2 1 309.457 3.064 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238406 1097979137 /nfs/dbraw/zinc/97/91/37/1097979137.db2.gz LSBQVCKHLLJIAX-HXUWFJFHSA-N 2 1 309.457 3.064 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232238406 1097979143 /nfs/dbraw/zinc/97/91/43/1097979143.db2.gz LSBQVCKHLLJIAX-HXUWFJFHSA-N 2 1 309.457 3.064 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(-c4cc[nH]n4)c3)C2)C1 ZINC001277635822 1097981063 /nfs/dbraw/zinc/98/10/63/1097981063.db2.gz CBQRXWDSBDHVMU-FQEVSTJZSA-N 2 1 324.472 3.385 20 0 DGADMP CC[C@@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001175250068 1097985205 /nfs/dbraw/zinc/98/52/05/1097985205.db2.gz MOSJDDDQKNCHGP-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257002 1097994177 /nfs/dbraw/zinc/99/41/77/1097994177.db2.gz RRXHBYIBPCUGBN-HQYUYXFKSA-N 2 1 323.525 3.092 20 0 DGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257004 1097994792 /nfs/dbraw/zinc/99/47/92/1097994792.db2.gz RRXHBYIBPCUGBN-ZBKUBXTQSA-N 2 1 323.525 3.092 20 0 DGADMP CC(C)OCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277657278 1098017496 /nfs/dbraw/zinc/01/74/96/1098017496.db2.gz GTJGWIDLHSFJRY-UHFFFAOYSA-N 2 1 319.493 3.118 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001232468910 1098048146 /nfs/dbraw/zinc/04/81/46/1098048146.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001232468910 1098048151 /nfs/dbraw/zinc/04/81/51/1098048151.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001232468910 1098048157 /nfs/dbraw/zinc/04/81/57/1098048157.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468910 1098048162 /nfs/dbraw/zinc/04/81/62/1098048162.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468910 1098048167 /nfs/dbraw/zinc/04/81/67/1098048167.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468910 1098048174 /nfs/dbraw/zinc/04/81/74/1098048174.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468910 1098048180 /nfs/dbraw/zinc/04/81/80/1098048180.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)ccc1N ZINC001232512565 1098064108 /nfs/dbraw/zinc/06/41/08/1098064108.db2.gz WTFGKQPUVNHAKZ-IRXDYDNUSA-N 2 1 305.441 3.247 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)ccc1N ZINC001232512565 1098064113 /nfs/dbraw/zinc/06/41/13/1098064113.db2.gz WTFGKQPUVNHAKZ-IRXDYDNUSA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1N ZINC001232512565 1098064117 /nfs/dbraw/zinc/06/41/17/1098064117.db2.gz WTFGKQPUVNHAKZ-IRXDYDNUSA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1N ZINC001232512565 1098064122 /nfs/dbraw/zinc/06/41/22/1098064122.db2.gz WTFGKQPUVNHAKZ-IRXDYDNUSA-N 2 1 305.441 3.247 20 0 DGADMP [NH3+]Cc1ccc(Nc2c[nH+]c3ccc(Br)cn23)cc1 ZINC001175966836 1098213424 /nfs/dbraw/zinc/21/34/24/1098213424.db2.gz ROUCRCKTHSYHKM-UHFFFAOYSA-N 2 1 317.190 3.299 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165484 1098224380 /nfs/dbraw/zinc/22/43/80/1098224380.db2.gz CCSGPRRUEHDZNW-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165484 1098224383 /nfs/dbraw/zinc/22/43/83/1098224383.db2.gz CCSGPRRUEHDZNW-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165484 1098224385 /nfs/dbraw/zinc/22/43/85/1098224385.db2.gz CCSGPRRUEHDZNW-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165484 1098224388 /nfs/dbraw/zinc/22/43/88/1098224388.db2.gz CCSGPRRUEHDZNW-GASCZTMLSA-N 2 1 312.379 3.479 20 0 DGADMP COc1c(O)cccc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001233257385 1098265521 /nfs/dbraw/zinc/26/55/21/1098265521.db2.gz FDCCCFROHADEHV-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001233257385 1098265526 /nfs/dbraw/zinc/26/55/26/1098265526.db2.gz FDCCCFROHADEHV-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001233257385 1098265533 /nfs/dbraw/zinc/26/55/33/1098265533.db2.gz FDCCCFROHADEHV-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001233257385 1098265540 /nfs/dbraw/zinc/26/55/40/1098265540.db2.gz FDCCCFROHADEHV-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001233257385 1098265547 /nfs/dbraw/zinc/26/55/47/1098265547.db2.gz FDCCCFROHADEHV-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP CCc1ccc(C)[nH+]c1Nc1ccc(OCCC[NH+](C)C)nc1 ZINC001176351725 1098329357 /nfs/dbraw/zinc/32/93/57/1098329357.db2.gz ISEFDHFQNZQTGD-UHFFFAOYSA-N 2 1 314.433 3.422 20 0 DGADMP CC(C)[N@H+]1Cc2ccccc2C2(CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC001277797067 1098395574 /nfs/dbraw/zinc/39/55/74/1098395574.db2.gz ONNVLCITCPACCO-UHFFFAOYSA-N 2 1 324.472 3.168 20 0 DGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753304 1098434137 /nfs/dbraw/zinc/43/41/37/1098434137.db2.gz FQDIQIBXBGELRG-KRWDZBQOSA-N 2 1 313.530 3.027 20 0 DGADMP C[N@H+]1CCc2c(cccc2OC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001234424520 1098552958 /nfs/dbraw/zinc/55/29/58/1098552958.db2.gz RJDIWALWCNCXRW-UHFFFAOYSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638088 1098571242 /nfs/dbraw/zinc/57/12/42/1098571242.db2.gz SZMILLHLLHFEFY-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP C[N@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)CC1(C)C ZINC001177669336 1098574522 /nfs/dbraw/zinc/57/45/22/1098574522.db2.gz VOCRFFNYROMFOZ-RTBURBONSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1(C)C ZINC001177669336 1098574529 /nfs/dbraw/zinc/57/45/29/1098574529.db2.gz VOCRFFNYROMFOZ-RTBURBONSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1(C)C ZINC001177669336 1098574536 /nfs/dbraw/zinc/57/45/36/1098574536.db2.gz VOCRFFNYROMFOZ-RTBURBONSA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC001177742530 1098597799 /nfs/dbraw/zinc/59/77/99/1098597799.db2.gz JDRMNHCXARBQTF-ZBFHGGJFSA-N 2 1 323.506 3.205 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC001177742530 1098597808 /nfs/dbraw/zinc/59/78/08/1098597808.db2.gz JDRMNHCXARBQTF-ZBFHGGJFSA-N 2 1 323.506 3.205 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCOc3ccccc3)C2)C1 ZINC001277870650 1098623335 /nfs/dbraw/zinc/62/33/35/1098623335.db2.gz WQJBOLQCJPXRCZ-IBGZPJMESA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCCOc3ccccc3)C2)C1 ZINC001277870650 1098623337 /nfs/dbraw/zinc/62/33/37/1098623337.db2.gz WQJBOLQCJPXRCZ-IBGZPJMESA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC001277870650 1098623340 /nfs/dbraw/zinc/62/33/40/1098623340.db2.gz WQJBOLQCJPXRCZ-IBGZPJMESA-N 2 1 302.462 3.263 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206311746 1098661206 /nfs/dbraw/zinc/66/12/06/1098661206.db2.gz UFOVECUSWIOFAX-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206312000 1098684237 /nfs/dbraw/zinc/68/42/37/1098684237.db2.gz XTEYACZAKFCREV-HNNXBMFYSA-N 2 1 315.383 3.360 20 0 DGADMP CCSCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277913362 1098730851 /nfs/dbraw/zinc/73/08/51/1098730851.db2.gz IADSBYAELBVUSS-UHFFFAOYSA-N 2 1 307.507 3.056 20 0 DGADMP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)c(F)c1 ZINC001234979359 1098731489 /nfs/dbraw/zinc/73/14/89/1098731489.db2.gz DSWAVOLWXVPSEZ-IYBDPMFKSA-N 2 1 314.379 3.283 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993746 1098739446 /nfs/dbraw/zinc/73/94/46/1098739446.db2.gz RLGUYPOUAPDVBE-LJQANCHMSA-N 2 1 324.509 3.356 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234999722 1098742540 /nfs/dbraw/zinc/74/25/40/1098742540.db2.gz NUQAPCBDIICKGC-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234999722 1098742547 /nfs/dbraw/zinc/74/25/47/1098742547.db2.gz NUQAPCBDIICKGC-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP CC1=CC[C@@H](CC[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001235006619 1098746587 /nfs/dbraw/zinc/74/65/87/1098746587.db2.gz JIFZNVYXPQVPPW-PKOBYXMFSA-N 2 1 306.494 3.071 20 0 DGADMP Brc1cccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235030006 1098758933 /nfs/dbraw/zinc/75/89/33/1098758933.db2.gz DGNNBJLLTZMJCK-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235031665 1098759885 /nfs/dbraw/zinc/75/98/85/1098759885.db2.gz NIXSKYMOULYDDV-FXAWDEMLSA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235031665 1098759897 /nfs/dbraw/zinc/75/98/97/1098759897.db2.gz NIXSKYMOULYDDV-FXAWDEMLSA-N 2 1 308.425 3.156 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001235031998 1098761852 /nfs/dbraw/zinc/76/18/52/1098761852.db2.gz ILUKFLWELAMBJN-OAHLLOKOSA-N 2 1 314.351 3.079 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001235031998 1098761857 /nfs/dbraw/zinc/76/18/57/1098761857.db2.gz ILUKFLWELAMBJN-OAHLLOKOSA-N 2 1 314.351 3.079 20 0 DGADMP Fc1cc(F)c(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235039988 1098766197 /nfs/dbraw/zinc/76/61/97/1098766197.db2.gz JZDVGHPYOBSJDG-KRWDZBQOSA-N 2 1 312.379 3.255 20 0 DGADMP Fc1cc(F)c(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235039988 1098766205 /nfs/dbraw/zinc/76/62/05/1098766205.db2.gz JZDVGHPYOBSJDG-KRWDZBQOSA-N 2 1 312.379 3.255 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235041188 1098769582 /nfs/dbraw/zinc/76/95/82/1098769582.db2.gz XUTUIKLFCLXGNN-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235041188 1098769593 /nfs/dbraw/zinc/76/95/93/1098769593.db2.gz XUTUIKLFCLXGNN-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235091544 1098792532 /nfs/dbraw/zinc/79/25/32/1098792532.db2.gz FGUBMONTQAGNSS-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C1 ZINC001277919122 1098795479 /nfs/dbraw/zinc/79/54/79/1098795479.db2.gz DGAJPQBQMMPGGX-UHFFFAOYSA-N 2 1 318.436 3.206 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094038 1098795795 /nfs/dbraw/zinc/79/57/95/1098795795.db2.gz XAXCYDVRNJBDFY-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235094827 1098797510 /nfs/dbraw/zinc/79/75/10/1098797510.db2.gz REJIWMHELHVIKH-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235094827 1098797520 /nfs/dbraw/zinc/79/75/20/1098797520.db2.gz REJIWMHELHVIKH-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP Fc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(F)c1Cl ZINC001235103890 1098802195 /nfs/dbraw/zinc/80/21/95/1098802195.db2.gz MMCBZOPYORLUBP-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1Cl ZINC001235104971 1098804427 /nfs/dbraw/zinc/80/44/27/1098804427.db2.gz YXVAOAMHVXOIEI-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP c1ccc(-c2ccccc2C[N@H+]2CCC[C@@]3(CNCCO3)C2)cc1 ZINC001235117299 1098818820 /nfs/dbraw/zinc/81/88/20/1098818820.db2.gz KYZUWJMCMLWHMI-OAQYLSRUSA-N 2 1 322.452 3.308 20 0 DGADMP c1ccc(COCCCC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125429 1098823349 /nfs/dbraw/zinc/82/33/49/1098823349.db2.gz POAOYWJSXGSRPH-IBGZPJMESA-N 2 1 302.462 3.201 20 0 DGADMP c1ccc(COCCCC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125429 1098823354 /nfs/dbraw/zinc/82/33/54/1098823354.db2.gz POAOYWJSXGSRPH-IBGZPJMESA-N 2 1 302.462 3.201 20 0 DGADMP C[C@@H](C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)OCc1ccccc1 ZINC001235152388 1098837671 /nfs/dbraw/zinc/83/76/71/1098837671.db2.gz MOVQIUZRZTUPNW-FXAWDEMLSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1nc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1Cl ZINC001235153051 1098840322 /nfs/dbraw/zinc/84/03/22/1098840322.db2.gz DAVSDGJLTKTBRP-KRWDZBQOSA-N 2 1 307.869 3.398 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Cl)n1 ZINC001235154950 1098841427 /nfs/dbraw/zinc/84/14/27/1098841427.db2.gz BTQFHAOYVGMNMJ-MRXNPFEDSA-N 2 1 307.869 3.398 20 0 DGADMP Cc1ccnc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155102 1098842517 /nfs/dbraw/zinc/84/25/17/1098842517.db2.gz CKIKAXJILHGHBV-MRXNPFEDSA-N 2 1 307.869 3.398 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1C ZINC001235155507 1098842747 /nfs/dbraw/zinc/84/27/47/1098842747.db2.gz OXCCKQSGDKBQMJ-GOSISDBHSA-N 2 1 302.462 3.358 20 0 DGADMP CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159867 1098843903 /nfs/dbraw/zinc/84/39/03/1098843903.db2.gz XGEQDJBIDQNVMN-QAPCUYQASA-N 2 1 318.509 3.288 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159787 1098844997 /nfs/dbraw/zinc/84/49/97/1098844997.db2.gz ONSJDBSMFYGXED-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CCCN2 ZINC001235159672 1098845298 /nfs/dbraw/zinc/84/52/98/1098845298.db2.gz NGPXAQRDFDGPOZ-HXUWFJFHSA-N 2 1 313.489 3.399 20 0 DGADMP COc1nccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1Cl ZINC001235158074 1098845467 /nfs/dbraw/zinc/84/54/67/1098845467.db2.gz UHXCBKVLULZJIA-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235161642 1098847206 /nfs/dbraw/zinc/84/72/06/1098847206.db2.gz UDVRZTTVRKNNGO-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235160453 1098847333 /nfs/dbraw/zinc/84/73/33/1098847333.db2.gz XIACEXMVKWWQQX-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)n(-c2ccccc2)n1 ZINC001235160530 1098847462 /nfs/dbraw/zinc/84/74/62/1098847462.db2.gz XTVSZBLGJPLMBV-FQEVSTJZSA-N 2 1 324.472 3.226 20 0 DGADMP COc1ccc(CCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235174698 1098855537 /nfs/dbraw/zinc/85/55/37/1098855537.db2.gz VCFWGHRZLINSFE-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccc(CCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235174698 1098855541 /nfs/dbraw/zinc/85/55/41/1098855541.db2.gz VCFWGHRZLINSFE-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP CCOc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)ccc1F ZINC001235190140 1098866839 /nfs/dbraw/zinc/86/68/39/1098866839.db2.gz FCIGLIDMCIABDQ-UHFFFAOYSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1F ZINC001235190140 1098866849 /nfs/dbraw/zinc/86/68/49/1098866849.db2.gz FCIGLIDMCIABDQ-UHFFFAOYSA-N 2 1 306.425 3.333 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001206343958 1098909592 /nfs/dbraw/zinc/90/95/92/1098909592.db2.gz XGEBTAACQKZQTM-WBVHZDCISA-N 2 1 324.509 3.161 20 0 DGADMP Brc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235253665 1098924204 /nfs/dbraw/zinc/92/42/04/1098924204.db2.gz CQSBWMXCXUQKQQ-GDBMZVCRSA-N 2 1 323.278 3.066 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C(C)C ZINC001235267803 1098940448 /nfs/dbraw/zinc/94/04/48/1098940448.db2.gz JDSMJWDMDCKMCO-QAPCUYQASA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C(C)C ZINC001235267803 1098940450 /nfs/dbraw/zinc/94/04/50/1098940450.db2.gz JDSMJWDMDCKMCO-QAPCUYQASA-N 2 1 302.462 3.311 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3c4ccccc4[nH]c3-c3ccccc3)C[C@@H]12 ZINC001235285426 1098941951 /nfs/dbraw/zinc/94/19/51/1098941951.db2.gz RHTOVCOLDIMIRM-HGKCTWBKSA-N 2 1 303.409 3.224 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926382 1098964223 /nfs/dbraw/zinc/96/42/23/1098964223.db2.gz TTWOUKRUQHOJFS-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235340847 1098964550 /nfs/dbraw/zinc/96/45/50/1098964550.db2.gz MVYOMVMQIJIDAR-SFHVURJKSA-N 2 1 322.452 3.307 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378814 1098988492 /nfs/dbraw/zinc/98/84/92/1098988492.db2.gz LGFMRVDWIIKQFC-XLIONFOSSA-N 2 1 314.473 3.071 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235393545 1098993736 /nfs/dbraw/zinc/99/37/36/1098993736.db2.gz BFZGPRQAAHSSJM-NVXWUHKLSA-N 2 1 304.453 3.493 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401525 1098996756 /nfs/dbraw/zinc/99/67/56/1098996756.db2.gz GWDPDLCEELUMFX-RBUKOAKNSA-N 2 1 304.453 3.409 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1C(C)C ZINC001235403592 1098999943 /nfs/dbraw/zinc/99/99/43/1098999943.db2.gz LHFRYKDBUXLRQE-MOPGFXCFSA-N 2 1 320.452 3.342 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1C(C)C ZINC001235403592 1098999948 /nfs/dbraw/zinc/99/99/48/1098999948.db2.gz LHFRYKDBUXLRQE-MOPGFXCFSA-N 2 1 320.452 3.342 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](CCCc1ccccc1Cl)C2 ZINC001235405476 1099002765 /nfs/dbraw/zinc/00/27/65/1099002765.db2.gz PCPVDYFWEFLHGG-SJORKVTESA-N 2 1 310.844 3.296 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001235405476 1099002778 /nfs/dbraw/zinc/00/27/78/1099002778.db2.gz PCPVDYFWEFLHGG-SJORKVTESA-N 2 1 310.844 3.296 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411315 1099008261 /nfs/dbraw/zinc/00/82/61/1099008261.db2.gz ZLJNJBHTLLQQJN-IAGOWNOFSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411315 1099008275 /nfs/dbraw/zinc/00/82/75/1099008275.db2.gz ZLJNJBHTLLQQJN-IAGOWNOFSA-N 2 1 310.844 3.480 20 0 DGADMP CSc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001235423848 1099017656 /nfs/dbraw/zinc/01/76/56/1099017656.db2.gz GITYEHRRIFQGOC-CVEARBPZSA-N 2 1 319.518 3.324 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429826 1099024666 /nfs/dbraw/zinc/02/46/66/1099024666.db2.gz ZYMMAJBQOPYZBK-CABCVRRESA-N 2 1 306.425 3.046 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430458 1099025896 /nfs/dbraw/zinc/02/58/96/1099025896.db2.gz TUWNDNIUFGNDPH-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)cc1O ZINC001235430310 1099026128 /nfs/dbraw/zinc/02/61/28/1099026128.db2.gz SAEXAWMBFWPPDH-IRXDYDNUSA-N 2 1 302.462 3.221 20 0 DGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc21 ZINC001235432757 1099029372 /nfs/dbraw/zinc/02/93/72/1099029372.db2.gz YDXQWZMUGOTOMU-OALUTQOASA-N 2 1 311.473 3.390 20 0 DGADMP COc1cc(Cl)c(C[N@@H+](C)CC2CC[NH2+]CC2)c(Cl)c1 ZINC001235433985 1099030462 /nfs/dbraw/zinc/03/04/62/1099030462.db2.gz VDSLXEXTJVMNAG-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235433222 1099032276 /nfs/dbraw/zinc/03/22/76/1099032276.db2.gz YBHAQQBQJJDGLS-GJZGRUSLSA-N 2 1 307.869 3.255 20 0 DGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1F)CC1CC[NH2+]CC1 ZINC001235434028 1099032779 /nfs/dbraw/zinc/03/27/79/1099032779.db2.gz XUNFNEGQGPNIKL-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001235465416 1099050367 /nfs/dbraw/zinc/05/03/67/1099050367.db2.gz JKPCTLGRWYYAQZ-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001235465416 1099050381 /nfs/dbraw/zinc/05/03/81/1099050381.db2.gz JKPCTLGRWYYAQZ-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235676093 1099119675 /nfs/dbraw/zinc/11/96/75/1099119675.db2.gz VNUKKJLHVNYEPN-JKSUJKDBSA-N 2 1 322.880 3.491 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235676093 1099119681 /nfs/dbraw/zinc/11/96/81/1099119681.db2.gz VNUKKJLHVNYEPN-JKSUJKDBSA-N 2 1 322.880 3.491 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1CCN2 ZINC001235680547 1099123676 /nfs/dbraw/zinc/12/36/76/1099123676.db2.gz TXWXJYUHDIZMIG-IBGZPJMESA-N 2 1 313.489 3.495 20 0 DGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235680666 1099124941 /nfs/dbraw/zinc/12/49/41/1099124941.db2.gz VTFCXMKLLZJOMK-LJQANCHMSA-N 3 1 319.537 3.107 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001235689999 1099130466 /nfs/dbraw/zinc/13/04/66/1099130466.db2.gz FCPKSCYAPHGPGY-KRWDZBQOSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235693642 1099132814 /nfs/dbraw/zinc/13/28/14/1099132814.db2.gz YMGZHWWCNSFXBR-ROUUACIJSA-N 2 1 302.462 3.370 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235694372 1099132834 /nfs/dbraw/zinc/13/28/34/1099132834.db2.gz DHMNNUDHROQXKO-INIZCTEOSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235694372 1099132841 /nfs/dbraw/zinc/13/28/41/1099132841.db2.gz DHMNNUDHROQXKO-INIZCTEOSA-N 2 1 324.509 3.353 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)ccc1-2 ZINC001235710811 1099139831 /nfs/dbraw/zinc/13/98/31/1099139831.db2.gz GFOZBDCAVOICGI-UHFFFAOYSA-N 2 1 304.437 3.443 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)ccc1-2 ZINC001235710811 1099139834 /nfs/dbraw/zinc/13/98/34/1099139834.db2.gz GFOZBDCAVOICGI-UHFFFAOYSA-N 2 1 304.437 3.443 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235714087 1099141106 /nfs/dbraw/zinc/14/11/06/1099141106.db2.gz GUDLJHNORNPDAN-IMJJTQAJSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235714087 1099141110 /nfs/dbraw/zinc/14/11/10/1099141110.db2.gz GUDLJHNORNPDAN-IMJJTQAJSA-N 2 1 324.415 3.323 20 0 DGADMP Fc1ccc(F)c([C@H]2CCC[N@@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235715760 1099143904 /nfs/dbraw/zinc/14/39/04/1099143904.db2.gz VJYWERTVAVYNIO-GOSISDBHSA-N 2 1 317.383 3.207 20 0 DGADMP Fc1ccc(F)c([C@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235715760 1099143909 /nfs/dbraw/zinc/14/39/09/1099143909.db2.gz VJYWERTVAVYNIO-GOSISDBHSA-N 2 1 317.383 3.207 20 0 DGADMP CCc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc(CC)c1O ZINC001235717330 1099144156 /nfs/dbraw/zinc/14/41/56/1099144156.db2.gz RFYCPZPNHUODAR-UHFFFAOYSA-N 2 1 304.478 3.339 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717143 1099144477 /nfs/dbraw/zinc/14/44/77/1099144477.db2.gz FJEPIKSABQGPDN-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235726764 1099148806 /nfs/dbraw/zinc/14/88/06/1099148806.db2.gz PNMCKZOJDVDNEY-GOSISDBHSA-N 2 1 310.416 3.461 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235726084 1099149667 /nfs/dbraw/zinc/14/96/67/1099149667.db2.gz MMZXEIHRANVJDW-VNHYZAJKSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235726084 1099149671 /nfs/dbraw/zinc/14/96/71/1099149671.db2.gz MMZXEIHRANVJDW-VNHYZAJKSA-N 2 1 312.379 3.106 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001235748910 1099164027 /nfs/dbraw/zinc/16/40/27/1099164027.db2.gz FHPVODGJWCRCDO-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001235748910 1099164032 /nfs/dbraw/zinc/16/40/32/1099164032.db2.gz FHPVODGJWCRCDO-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP CC(C)(CO)C[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277968850 1099182111 /nfs/dbraw/zinc/18/21/11/1099182111.db2.gz ZYCPCXIAQMIFDP-LJQANCHMSA-N 2 1 308.510 3.126 20 0 DGADMP CC(C)(CO)C[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277968850 1099182114 /nfs/dbraw/zinc/18/21/14/1099182114.db2.gz ZYCPCXIAQMIFDP-LJQANCHMSA-N 2 1 308.510 3.126 20 0 DGADMP CC(C)(CO)C[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277968850 1099182117 /nfs/dbraw/zinc/18/21/17/1099182117.db2.gz ZYCPCXIAQMIFDP-LJQANCHMSA-N 2 1 308.510 3.126 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235793501 1099183643 /nfs/dbraw/zinc/18/36/43/1099183643.db2.gz XZIWHSQTLSCRGB-GOSISDBHSA-N 2 1 321.896 3.018 20 0 DGADMP CC[NH+]1CCC(CN2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235793501 1099183647 /nfs/dbraw/zinc/18/36/47/1099183647.db2.gz XZIWHSQTLSCRGB-GOSISDBHSA-N 2 1 321.896 3.018 20 0 DGADMP Brc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC001235817732 1099194000 /nfs/dbraw/zinc/19/40/00/1099194000.db2.gz DVKLMDJPOYEDES-CYBMUJFWSA-N 2 1 323.278 3.197 20 0 DGADMP COc1ccc(CC[N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001235841130 1099205589 /nfs/dbraw/zinc/20/55/89/1099205589.db2.gz WWIQGSADWDWRDU-UHFFFAOYSA-N 2 1 316.470 3.077 20 0 DGADMP [NH3+]CCCCC[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001235883015 1099232419 /nfs/dbraw/zinc/23/24/19/1099232419.db2.gz WPAVBVDFNXUXDG-AWEZNQCLSA-N 2 1 311.267 3.367 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001235863652 1099225922 /nfs/dbraw/zinc/22/59/22/1099225922.db2.gz GWOMWGQDUQCDCG-KRWDZBQOSA-N 2 1 309.457 3.024 20 0 DGADMP Fc1ccc([C@@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001235864511 1099226292 /nfs/dbraw/zinc/22/62/92/1099226292.db2.gz IHBPKPUNPXFSJV-KRWDZBQOSA-N 2 1 308.466 3.305 20 0 DGADMP Clc1ccc([C@H]2CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1Cl ZINC001235882938 1099232300 /nfs/dbraw/zinc/23/23/00/1099232300.db2.gz UMZNADYIDXWQAH-IGQOVBAYSA-N 2 1 311.256 3.248 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001235925162 1099260864 /nfs/dbraw/zinc/26/08/64/1099260864.db2.gz JUYSUVZVLQYERD-AWEZNQCLSA-N 2 1 322.250 3.244 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCC[C@H]2CC[NH3+])CC1 ZINC001235925583 1099261437 /nfs/dbraw/zinc/26/14/37/1099261437.db2.gz WGXBPSOEGUHTDT-ROUUACIJSA-N 2 1 308.510 3.467 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235929809 1099265663 /nfs/dbraw/zinc/26/56/63/1099265663.db2.gz UQCDTYDVZXMODN-PMACEKPBSA-N 2 1 322.452 3.307 20 0 DGADMP COCCC[N@@H+](CCCCCc1ccccc1)C1CC[NH2+]CC1 ZINC001235937743 1099272279 /nfs/dbraw/zinc/27/22/79/1099272279.db2.gz QADRVTVKWYBTBV-UHFFFAOYSA-N 2 1 318.505 3.490 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939809 1099274629 /nfs/dbraw/zinc/27/46/29/1099274629.db2.gz KMQAJMPBFPEFJN-IAQYHMDHSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001235939809 1099274636 /nfs/dbraw/zinc/27/46/36/1099274636.db2.gz KMQAJMPBFPEFJN-IAQYHMDHSA-N 2 1 314.807 3.189 20 0 DGADMP CCSc1ccccc1C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235940776 1099274717 /nfs/dbraw/zinc/27/47/17/1099274717.db2.gz ZFVQROKWNQLTJZ-UHFFFAOYSA-N 2 1 322.518 3.389 20 0 DGADMP CCc1cccc(C)c1C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235940047 1099275350 /nfs/dbraw/zinc/27/53/50/1099275350.db2.gz OCBATDIZOOMFSU-UHFFFAOYSA-N 2 1 304.478 3.148 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235943867 1099277440 /nfs/dbraw/zinc/27/74/40/1099277440.db2.gz ZMIYYIBZMBNRRW-RBUKOAKNSA-N 2 1 308.425 3.101 20 0 DGADMP CCN(CC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947494 1099281491 /nfs/dbraw/zinc/28/14/91/1099281491.db2.gz CNJNYTFRFBOVJK-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc([C@H]2CC[N@@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235949959 1099283922 /nfs/dbraw/zinc/28/39/22/1099283922.db2.gz XVTTXSDGQOXFDY-OAQYLSRUSA-N 2 1 321.468 3.039 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C[C@@H]1CCC[NH2+]C1 ZINC001235957641 1099289297 /nfs/dbraw/zinc/28/92/97/1099289297.db2.gz QZGVZUKJKYJYMZ-MRXNPFEDSA-N 2 1 302.462 3.222 20 0 DGADMP CC1(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH2+]CC1 ZINC001235958092 1099289555 /nfs/dbraw/zinc/28/95/55/1099289555.db2.gz GAHRGIVHMLSLNC-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP CC[N@@H+](Cc1ccccc1F)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235959931 1099290791 /nfs/dbraw/zinc/29/07/91/1099290791.db2.gz FDTNZUQDENAESM-GXTWGEPZSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccccc1F)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235959931 1099290802 /nfs/dbraw/zinc/29/08/02/1099290802.db2.gz FDTNZUQDENAESM-GXTWGEPZSA-N 2 1 300.368 3.138 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(OC(F)(F)F)c1 ZINC001235960341 1099290895 /nfs/dbraw/zinc/29/08/95/1099290895.db2.gz UFZQPGIQFCWOTF-AGGWBTHJSA-N 2 1 314.351 3.063 20 0 DGADMP CCc1ccc(C[N@@H+](C)Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235958991 1099291145 /nfs/dbraw/zinc/29/11/45/1099291145.db2.gz DVNFOVVTYPZEHP-UHFFFAOYSA-N 2 1 323.484 3.291 20 0 DGADMP CC[N@@H+](Cc1ccccc1F)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235959936 1099291516 /nfs/dbraw/zinc/29/15/16/1099291516.db2.gz FDTNZUQDENAESM-TZMCWYRMSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccccc1F)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235959936 1099291525 /nfs/dbraw/zinc/29/15/25/1099291525.db2.gz FDTNZUQDENAESM-TZMCWYRMSA-N 2 1 300.368 3.138 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)cc1 ZINC001235959057 1099292216 /nfs/dbraw/zinc/29/22/16/1099292216.db2.gz QVXMLLMEJKNOIB-FQEVSTJZSA-N 2 1 310.441 3.327 20 0 DGADMP COC[C@@H](C)[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963103 1099294080 /nfs/dbraw/zinc/29/40/80/1099294080.db2.gz UKDIHVNURHOYHT-AEFFLSMTSA-N 2 1 320.477 3.064 20 0 DGADMP COC[C@@H](C)[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963103 1099294085 /nfs/dbraw/zinc/29/40/85/1099294085.db2.gz UKDIHVNURHOYHT-AEFFLSMTSA-N 2 1 320.477 3.064 20 0 DGADMP C[C@]1(c2ccc(Cl)cc2)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC001235969165 1099297820 /nfs/dbraw/zinc/29/78/20/1099297820.db2.gz OWUWHAIOTMUZQC-MAUKXSAKSA-N 2 1 322.880 3.277 20 0 DGADMP Fc1cccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235972723 1099302337 /nfs/dbraw/zinc/30/23/37/1099302337.db2.gz AGMARHMKFLQTSP-UHFFFAOYSA-N 2 1 310.416 3.463 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)CCN2 ZINC001235973794 1099304880 /nfs/dbraw/zinc/30/48/80/1099304880.db2.gz NGAMWWIOWPFPSP-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001235973794 1099304890 /nfs/dbraw/zinc/30/48/90/1099304890.db2.gz NGAMWWIOWPFPSP-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001235973794 1099304900 /nfs/dbraw/zinc/30/49/00/1099304900.db2.gz NGAMWWIOWPFPSP-RBUKOAKNSA-N 2 1 313.489 3.493 20 0 DGADMP CCCCC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CCC ZINC001180121853 1099321676 /nfs/dbraw/zinc/32/16/76/1099321676.db2.gz ZDUFESOFOBWBPO-UHFFFAOYSA-N 2 1 313.530 3.175 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](CC3(F)CC[NH2+]CC3)C2)cc1 ZINC001236008876 1099331291 /nfs/dbraw/zinc/33/12/91/1099331291.db2.gz NANFBDOYJSTGQH-INIZCTEOSA-N 2 1 308.416 3.172 20 0 DGADMP Fc1ccc(C(F)(F)F)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236009668 1099333419 /nfs/dbraw/zinc/33/34/19/1099333419.db2.gz ORHQCULVKPCOQX-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044048 1099344396 /nfs/dbraw/zinc/34/43/96/1099344396.db2.gz ISXQLGJCKJCGPN-SWLSCSKDSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044048 1099344408 /nfs/dbraw/zinc/34/44/08/1099344408.db2.gz ISXQLGJCKJCGPN-SWLSCSKDSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044188 1099344595 /nfs/dbraw/zinc/34/45/95/1099344595.db2.gz KLJCSXIMZZNFJV-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044188 1099344610 /nfs/dbraw/zinc/34/46/10/1099344610.db2.gz KLJCSXIMZZNFJV-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP C(c1nc2c(s1)C[NH2+]CC2)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001236043305 1099346275 /nfs/dbraw/zinc/34/62/75/1099346275.db2.gz WKKWRGKRWZBRIE-HNNXBMFYSA-N 2 1 305.491 3.334 20 0 DGADMP COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC001236065462 1099364203 /nfs/dbraw/zinc/36/42/03/1099364203.db2.gz AGJGLFKLQLDPKO-XLIONFOSSA-N 2 1 324.468 3.388 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001236069210 1099368073 /nfs/dbraw/zinc/36/80/73/1099368073.db2.gz XPHWYNVQRZOZKR-BHYGNILZSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001236069210 1099368084 /nfs/dbraw/zinc/36/80/84/1099368084.db2.gz XPHWYNVQRZOZKR-BHYGNILZSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001236079790 1099375572 /nfs/dbraw/zinc/37/55/72/1099375572.db2.gz YPPQZGVHKPWZCE-FZMZJTMJSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001236079790 1099375584 /nfs/dbraw/zinc/37/55/84/1099375584.db2.gz YPPQZGVHKPWZCE-FZMZJTMJSA-N 2 1 314.807 3.189 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236080467 1099376792 /nfs/dbraw/zinc/37/67/92/1099376792.db2.gz SXGGKTYFSBSPRQ-PKOBYXMFSA-N 2 1 307.526 3.114 20 0 DGADMP Fc1ccc2c(c1)CC[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001236094209 1099384089 /nfs/dbraw/zinc/38/40/89/1099384089.db2.gz TUSQXIKQQFKCAX-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP Fc1ccc2c(c1)CC[N@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001236094209 1099384096 /nfs/dbraw/zinc/38/40/96/1099384096.db2.gz TUSQXIKQQFKCAX-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP CCC[N@@H+](Cc1cc2c(c(OC)c1)OCC=C2)C1CC[NH2+]CC1 ZINC001236183435 1099453057 /nfs/dbraw/zinc/45/30/57/1099453057.db2.gz FSROTDVRXWKAKW-UHFFFAOYSA-N 2 1 316.445 3.065 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C[C@H]2CCC[NH2+]C2)CC1 ZINC001236199939 1099460490 /nfs/dbraw/zinc/46/04/90/1099460490.db2.gz GPTSLSZFGGJUIW-BZSNNMDCSA-N 2 1 324.509 3.068 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219578 1099477393 /nfs/dbraw/zinc/47/73/93/1099477393.db2.gz WGCMQQNRXPWREC-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219578 1099477397 /nfs/dbraw/zinc/47/73/97/1099477397.db2.gz WGCMQQNRXPWREC-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](CCc1cccc(F)c1)Cc1cc2c(s1)CC[NH2+]C2 ZINC001236265618 1099508295 /nfs/dbraw/zinc/50/82/95/1099508295.db2.gz IQEDMXARDOMFKL-UHFFFAOYSA-N 2 1 304.434 3.207 20 0 DGADMP CCOC(=O)C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001236267006 1099508362 /nfs/dbraw/zinc/50/83/62/1099508362.db2.gz VMRKGJPDHGRMKO-IAGOWNOFSA-N 2 1 318.461 3.002 20 0 DGADMP CCOC(=O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001236267006 1099508373 /nfs/dbraw/zinc/50/83/73/1099508373.db2.gz VMRKGJPDHGRMKO-IAGOWNOFSA-N 2 1 318.461 3.002 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001236307615 1099527472 /nfs/dbraw/zinc/52/74/72/1099527472.db2.gz LRXDRSSEGZLNTG-RTBURBONSA-N 2 1 313.489 3.108 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C(C)C ZINC001236320235 1099533843 /nfs/dbraw/zinc/53/38/43/1099533843.db2.gz NJVXJSFJXJUXHC-CALCHBBNSA-N 2 1 302.462 3.250 20 0 DGADMP c1ccc(Oc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001236321172 1099534769 /nfs/dbraw/zinc/53/47/69/1099534769.db2.gz XKBDZMGPZLICPP-HDICACEKSA-N 2 1 323.440 3.305 20 0 DGADMP Fc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236321341 1099535588 /nfs/dbraw/zinc/53/55/88/1099535588.db2.gz IPGLNHYXEURWNR-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322114 1099535749 /nfs/dbraw/zinc/53/57/49/1099535749.db2.gz PYZMINOVJPOZHW-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP Fc1c(Cl)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236321737 1099536548 /nfs/dbraw/zinc/53/65/48/1099536548.db2.gz LZGMCHBVBWFKES-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001236333928 1099543576 /nfs/dbraw/zinc/54/35/76/1099543576.db2.gz FOOURWOGAZTWLM-SFHVURJKSA-N 2 1 302.462 3.264 20 0 DGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371299 1099556880 /nfs/dbraw/zinc/55/68/80/1099556880.db2.gz KMEOAKVEOVYLIU-QGZVFWFLSA-N 3 1 319.537 3.010 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374509 1099559195 /nfs/dbraw/zinc/55/91/95/1099559195.db2.gz DIRYPSIKIFUMHO-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP Nc1c(F)cccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374880 1099560387 /nfs/dbraw/zinc/56/03/87/1099560387.db2.gz GBJSYKGZMMDSCG-AWEZNQCLSA-N 2 1 305.441 3.152 20 0 DGADMP c1cc2n(c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)CCC2 ZINC001236374067 1099560607 /nfs/dbraw/zinc/56/06/07/1099560607.db2.gz AKZTXCLBOSJAEF-MRXNPFEDSA-N 2 1 301.478 3.179 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(C)n1 ZINC001236376601 1099562846 /nfs/dbraw/zinc/56/28/46/1099562846.db2.gz UGNFXPHEAJFDGJ-INIZCTEOSA-N 2 1 317.477 3.143 20 0 DGADMP CNc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376507 1099565641 /nfs/dbraw/zinc/56/56/41/1099565641.db2.gz SCIYFLZUXJSBKH-MRXNPFEDSA-N 2 1 301.478 3.473 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]2CCC=CO2)cc1 ZINC001236381617 1099566386 /nfs/dbraw/zinc/56/63/86/1099566386.db2.gz LEKIHDLRQONDQX-IBGZPJMESA-N 2 1 318.436 3.320 20 0 DGADMP COC(C)(C)CC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379509 1099566659 /nfs/dbraw/zinc/56/66/59/1099566659.db2.gz BCRCDUNQZDKGES-UHFFFAOYSA-N 2 1 322.468 3.442 20 0 DGADMP Fc1ccc(C[N@H+](Cc2ccoc2)CC2CC[NH2+]CC2)cc1 ZINC001236380360 1099567023 /nfs/dbraw/zinc/56/70/23/1099567023.db2.gz GLJCOYUGYPSCCX-UHFFFAOYSA-N 2 1 302.393 3.421 20 0 DGADMP CC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407482 1099581218 /nfs/dbraw/zinc/58/12/18/1099581218.db2.gz GCCMMRDBSLQSKY-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236408298 1099582036 /nfs/dbraw/zinc/58/20/36/1099582036.db2.gz MVNODZDVLHWAJL-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP CC[N@@H+](Cc1cc(C(F)(F)F)ccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236410366 1099583456 /nfs/dbraw/zinc/58/34/56/1099583456.db2.gz ZHHMGRARRHVIPV-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1cc(C(F)(F)F)ccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236410366 1099583464 /nfs/dbraw/zinc/58/34/64/1099583464.db2.gz ZHHMGRARRHVIPV-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@@H]1CC[NH2+]C1 ZINC001236410698 1099584172 /nfs/dbraw/zinc/58/41/72/1099584172.db2.gz JFSAQLOJWDIMMV-GFCCVEGCSA-N 2 1 319.836 3.025 20 0 DGADMP CC[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@@H]1CC[NH2+]C1 ZINC001236410698 1099584182 /nfs/dbraw/zinc/58/41/82/1099584182.db2.gz JFSAQLOJWDIMMV-GFCCVEGCSA-N 2 1 319.836 3.025 20 0 DGADMP CC[N@@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410317 1099584270 /nfs/dbraw/zinc/58/42/70/1099584270.db2.gz YPDXSDGYXHHIIH-SNVBAGLBSA-N 2 1 322.321 3.415 20 0 DGADMP CC[N@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410317 1099584279 /nfs/dbraw/zinc/58/42/79/1099584279.db2.gz YPDXSDGYXHHIIH-SNVBAGLBSA-N 2 1 322.321 3.415 20 0 DGADMP C[N@H+](Cc1cccc(Oc2ccc(F)cc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412266 1099585856 /nfs/dbraw/zinc/58/58/56/1099585856.db2.gz JQVRPIDFNCKTLT-BWTSREIZSA-N 2 1 312.388 3.268 20 0 DGADMP C[N@@H+](Cc1cccc(Oc2ccc(F)cc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412266 1099585864 /nfs/dbraw/zinc/58/58/64/1099585864.db2.gz JQVRPIDFNCKTLT-BWTSREIZSA-N 2 1 312.388 3.268 20 0 DGADMP O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001236432762 1099608721 /nfs/dbraw/zinc/60/87/21/1099608721.db2.gz BNOYHMUIXIWPLP-LJQANCHMSA-N 2 1 320.436 3.037 20 0 DGADMP CCOc1cc(O)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459213 1099621647 /nfs/dbraw/zinc/62/16/47/1099621647.db2.gz IGJATWZKMNGRFR-UHFFFAOYSA-N 2 1 320.477 3.391 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2c(c1)NCC2)C1CC[NH2+]CC1 ZINC001236459805 1099623413 /nfs/dbraw/zinc/62/34/13/1099623413.db2.gz ZNTNHBOYCPRPCK-UHFFFAOYSA-N 2 1 301.478 3.255 20 0 DGADMP COc1c(C)cnc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1C ZINC001236459420 1099623810 /nfs/dbraw/zinc/62/38/10/1099623810.db2.gz NNTVSAXRQIDAOO-UHFFFAOYSA-N 2 1 319.493 3.307 20 0 DGADMP COc1c(C)cnc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1C ZINC001236459420 1099623812 /nfs/dbraw/zinc/62/38/12/1099623812.db2.gz NNTVSAXRQIDAOO-UHFFFAOYSA-N 2 1 319.493 3.307 20 0 DGADMP CCOCC[N@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH2+]CC1 ZINC001236464392 1099626696 /nfs/dbraw/zinc/62/66/96/1099626696.db2.gz CVFPWHMEBMPHAR-UHFFFAOYSA-N 2 1 320.452 3.294 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH2+]CC1 ZINC001236464392 1099626704 /nfs/dbraw/zinc/62/67/04/1099626704.db2.gz CVFPWHMEBMPHAR-UHFFFAOYSA-N 2 1 320.452 3.294 20 0 DGADMP CC(C)[N@H+](Cc1c[nH]c2cc(Cl)ncc12)[C@@H]1CCC[NH2+]C1 ZINC001236470813 1099629969 /nfs/dbraw/zinc/62/99/69/1099629969.db2.gz QJIFXXWAINPIKL-CYBMUJFWSA-N 2 1 306.841 3.179 20 0 DGADMP CC(C)[N@@H+](Cc1c[nH]c2cc(Cl)ncc12)[C@@H]1CCC[NH2+]C1 ZINC001236470813 1099629972 /nfs/dbraw/zinc/62/99/72/1099629972.db2.gz QJIFXXWAINPIKL-CYBMUJFWSA-N 2 1 306.841 3.179 20 0 DGADMP Cc1ccc(C[N@H+](CCCCCC[NH3+])C2CC[NH2+]CC2)c(F)c1 ZINC001236491983 1099642158 /nfs/dbraw/zinc/64/21/58/1099642158.db2.gz JLSGBAURFSQJFG-UHFFFAOYSA-N 3 1 321.484 3.207 20 0 DGADMP Cc1ccc(C[N@@H+](CCCCCC[NH3+])C2CC[NH2+]CC2)c(F)c1 ZINC001236491983 1099642164 /nfs/dbraw/zinc/64/21/64/1099642164.db2.gz JLSGBAURFSQJFG-UHFFFAOYSA-N 3 1 321.484 3.207 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2C[C@H]2C)C2CC[NH2+]CC2)cc1F ZINC001236516185 1099654539 /nfs/dbraw/zinc/65/45/39/1099654539.db2.gz MUCDZLMQULOVHZ-HIFRSBDPSA-N 2 1 306.425 3.044 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc(O)cc(F)c2)CC2CCC2)CC1 ZINC001236540902 1099672636 /nfs/dbraw/zinc/67/26/36/1099672636.db2.gz MKFVOQWFVFVDRI-QAQDUYKDSA-N 2 1 306.425 3.403 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3c2CCO3)CC2CCC2)CC1 ZINC001236542170 1099672875 /nfs/dbraw/zinc/67/28/75/1099672875.db2.gz YNIQWLYEDFQQEW-IYARVYRRSA-N 2 1 314.473 3.494 20 0 DGADMP COc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236551321 1099677199 /nfs/dbraw/zinc/67/71/99/1099677199.db2.gz PQCHUJWHETUTNB-QAQDUYKDSA-N 2 1 320.477 3.432 20 0 DGADMP COc1c(C)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1C ZINC001236599578 1099695759 /nfs/dbraw/zinc/69/57/59/1099695759.db2.gz SUEPFNJFTOPKMC-INIZCTEOSA-N 2 1 302.462 3.276 20 0 DGADMP c1ccn(-c2ccc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)cc2)c1 ZINC001236600766 1099696985 /nfs/dbraw/zinc/69/69/85/1099696985.db2.gz JBPYAYAXWJFLRM-GOSISDBHSA-N 2 1 309.457 3.441 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236605428 1099700800 /nfs/dbraw/zinc/70/08/00/1099700800.db2.gz NFOFVRAZHYMTKO-CQSZACIVSA-N 2 1 306.425 3.107 20 0 DGADMP COc1cc(F)c(C)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236605428 1099700804 /nfs/dbraw/zinc/70/08/04/1099700804.db2.gz NFOFVRAZHYMTKO-CQSZACIVSA-N 2 1 306.425 3.107 20 0 DGADMP Fc1cc(CN2CCC(n3ccnc3)CC2)c2c(c1)CCCO2 ZINC001236629008 1099713508 /nfs/dbraw/zinc/71/35/08/1099713508.db2.gz GDJFQCHFFSSOJD-UHFFFAOYSA-N 2 1 315.392 3.184 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637516 1099715948 /nfs/dbraw/zinc/71/59/48/1099715948.db2.gz QYMHQZYLEGMFCV-UHFFFAOYSA-N 2 1 317.477 3.284 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637516 1099715956 /nfs/dbraw/zinc/71/59/56/1099715956.db2.gz QYMHQZYLEGMFCV-UHFFFAOYSA-N 2 1 317.477 3.284 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CC[C@@H]1C[NH2+]CCO1 ZINC001236661232 1099729780 /nfs/dbraw/zinc/72/97/80/1099729780.db2.gz ABIDOXYETPVYTF-WOJBJXKFSA-N 2 1 318.505 3.488 20 0 DGADMP CNc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236676467 1099735959 /nfs/dbraw/zinc/73/59/59/1099735959.db2.gz HCPNOXNVNJTKQP-IRJFHVNHSA-N 2 1 324.472 3.395 20 0 DGADMP [NH3+]Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236690231 1099742735 /nfs/dbraw/zinc/74/27/35/1099742735.db2.gz NCGDDZNCXZUTAP-MEMLXQNLSA-N 3 1 323.484 3.417 20 0 DGADMP Cc1cccc(C[N@@H+](CCCCC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236727089 1099761862 /nfs/dbraw/zinc/76/18/62/1099761862.db2.gz RZRXSOFDQACSCN-WGSAOQKQSA-N 3 1 303.494 3.196 20 0 DGADMP CC(C)(C)C[N@@H+](C[C@@H](N)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768357 1099775492 /nfs/dbraw/zinc/77/54/92/1099775492.db2.gz NEJXQYAQGRAGJD-KZNAEPCWSA-N 2 1 303.494 3.304 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1Br ZINC001236825795 1099811738 /nfs/dbraw/zinc/81/17/38/1099811738.db2.gz APUSSXYEMQVNFE-RRFJBIMHSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1Br ZINC001236825795 1099811749 /nfs/dbraw/zinc/81/17/49/1099811749.db2.gz APUSSXYEMQVNFE-RRFJBIMHSA-N 2 1 323.278 3.235 20 0 DGADMP CCC[N@H+](Cc1[nH]c2ccc(F)cc2c1C)C[C@H]1CC[NH2+]C1 ZINC001236835315 1099820529 /nfs/dbraw/zinc/82/05/29/1099820529.db2.gz KYURHQMFUNMXCZ-AWEZNQCLSA-N 2 1 303.425 3.437 20 0 DGADMP CCC[N@@H+](Cc1cc(OC)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236835312 1099820907 /nfs/dbraw/zinc/82/09/07/1099820907.db2.gz KXGPWLMBLNWJAA-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1cc(OC)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236835312 1099820913 /nfs/dbraw/zinc/82/09/13/1099820913.db2.gz KXGPWLMBLNWJAA-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@@H+](Cc1cccc(F)c1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236844080 1099828992 /nfs/dbraw/zinc/82/89/92/1099828992.db2.gz SPZVNRUOOFLXFK-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1cccc(F)c1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236844080 1099829003 /nfs/dbraw/zinc/82/90/03/1099829003.db2.gz SPZVNRUOOFLXFK-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@]1(C)O ZINC001236913006 1099872668 /nfs/dbraw/zinc/87/26/68/1099872668.db2.gz GMFMKFLHLTWVDM-SUMWQHHRSA-N 2 1 319.836 3.119 20 0 DGADMP c1cc2n(c1C[N@@H+]1CCC[C@H](CCc3ccccc3)C1)CC[NH2+]C2 ZINC001236948397 1099887481 /nfs/dbraw/zinc/88/74/81/1099887481.db2.gz DMDUAUQPPPINLD-LJQANCHMSA-N 2 1 323.484 3.436 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236974599 1099897030 /nfs/dbraw/zinc/89/70/30/1099897030.db2.gz UBCPYYFQJUNEOF-JKSUJKDBSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236974599 1099897035 /nfs/dbraw/zinc/89/70/35/1099897035.db2.gz UBCPYYFQJUNEOF-JKSUJKDBSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001237057435 1099951327 /nfs/dbraw/zinc/95/13/27/1099951327.db2.gz MPGIPTIFBXBHJW-OAHLLOKOSA-N 2 1 300.368 3.309 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC001278055889 1099982713 /nfs/dbraw/zinc/98/27/13/1099982713.db2.gz NKRZDXZUGJPICX-HSALFYBXSA-N 2 1 321.553 3.305 20 0 DGADMP C(C[NH+]1CCCC1)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278060472 1100012795 /nfs/dbraw/zinc/01/27/95/1100012795.db2.gz UEUQSIYBCORAJN-FQEVSTJZSA-N 2 1 319.537 3.203 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001237187734 1100022295 /nfs/dbraw/zinc/02/22/95/1100022295.db2.gz JPZYNRXEILEPRX-KXBFYZLASA-N 2 1 302.437 3.105 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CCC[C@]4(CCc5c4cccc5F)C3)(C1)C2 ZINC001237188447 1100022523 /nfs/dbraw/zinc/02/25/23/1100022523.db2.gz OZSYBWKMIPLRHV-GPJFCIFZSA-N 2 1 314.448 3.377 20 0 DGADMP CC1(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]CC1 ZINC001237234260 1100041825 /nfs/dbraw/zinc/04/18/25/1100041825.db2.gz LTPKGELRCBHEGD-DOTOQJQBSA-N 2 1 319.880 3.313 20 0 DGADMP FC1(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]CC1 ZINC001237237461 1100044745 /nfs/dbraw/zinc/04/47/45/1100044745.db2.gz VHLZYKKCWHUBSQ-GDBMZVCRSA-N 2 1 323.843 3.015 20 0 DGADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001237264418 1100050066 /nfs/dbraw/zinc/05/00/66/1100050066.db2.gz HGEKVNCXLMCVGE-NVXWUHKLSA-N 2 1 302.462 3.263 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237384434 1100103397 /nfs/dbraw/zinc/10/33/97/1100103397.db2.gz WWETYPGCVBXBGT-HIFRSBDPSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237384434 1100103401 /nfs/dbraw/zinc/10/34/01/1100103401.db2.gz WWETYPGCVBXBGT-HIFRSBDPSA-N 2 1 314.351 3.159 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237401240 1100110563 /nfs/dbraw/zinc/11/05/63/1100110563.db2.gz CHRASXFWYPVMJT-TZIWHRDSSA-N 2 1 323.484 3.480 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237401209 1100111039 /nfs/dbraw/zinc/11/10/39/1100111039.db2.gz BZZHHKNBAJJYNF-QUCCMNQESA-N 2 1 307.441 3.323 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237415242 1100120357 /nfs/dbraw/zinc/12/03/57/1100120357.db2.gz PKRRAQZSFWJISE-FUHWJXTLSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237415242 1100120360 /nfs/dbraw/zinc/12/03/60/1100120360.db2.gz PKRRAQZSFWJISE-FUHWJXTLSA-N 2 1 302.462 3.438 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2n1 ZINC001237418932 1100120842 /nfs/dbraw/zinc/12/08/42/1100120842.db2.gz YSXCMCKLKUHXSS-JKSUJKDBSA-N 2 1 315.848 3.462 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2n1 ZINC001237418932 1100120846 /nfs/dbraw/zinc/12/08/46/1100120846.db2.gz YSXCMCKLKUHXSS-JKSUJKDBSA-N 2 1 315.848 3.462 20 0 DGADMP Cc1ccc(OCC[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001278126527 1100201966 /nfs/dbraw/zinc/20/19/66/1100201966.db2.gz KITOYGJQQLQTIB-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001278126527 1100201975 /nfs/dbraw/zinc/20/19/75/1100201975.db2.gz KITOYGJQQLQTIB-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278126527 1100201983 /nfs/dbraw/zinc/20/19/83/1100201983.db2.gz KITOYGJQQLQTIB-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278126527 1100201989 /nfs/dbraw/zinc/20/19/89/1100201989.db2.gz KITOYGJQQLQTIB-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC001237741731 1100234899 /nfs/dbraw/zinc/23/48/99/1100234899.db2.gz HAZNCMPHZBWKRX-UHFFFAOYSA-N 2 1 323.440 3.064 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c1OCC2 ZINC001237749698 1100236191 /nfs/dbraw/zinc/23/61/91/1100236191.db2.gz SLATZTXCWUYRMI-OALUTQOASA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCC2 ZINC001237749698 1100236196 /nfs/dbraw/zinc/23/61/96/1100236196.db2.gz SLATZTXCWUYRMI-OALUTQOASA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCC2 ZINC001237749698 1100236200 /nfs/dbraw/zinc/23/62/00/1100236200.db2.gz SLATZTXCWUYRMI-OALUTQOASA-N 2 1 314.473 3.460 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(CC[NH+]1CCCCC1)C2 ZINC001278147701 1100251128 /nfs/dbraw/zinc/25/11/28/1100251128.db2.gz ZGKLRBKMXQGGPF-LJQANCHMSA-N 2 1 321.553 3.449 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(-c4ccccn4)n3)C2)CC1 ZINC001237839338 1100265144 /nfs/dbraw/zinc/26/51/44/1100265144.db2.gz XGIABPUUXPPFSZ-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3[C@@H](C)CC[C@H]3CO)cc21 ZINC001237880128 1100276926 /nfs/dbraw/zinc/27/69/26/1100276926.db2.gz CWPZMWBXAXXOJF-YOEHRIQHSA-N 2 1 300.446 3.033 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@@](C)(O)C3)cc21 ZINC001237880534 1100278005 /nfs/dbraw/zinc/27/80/05/1100278005.db2.gz GZMMRTVXUFTNJU-QRWLVFNGSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC(=O)[C@H](C)CC3)cc21 ZINC001237881478 1100280036 /nfs/dbraw/zinc/28/00/36/1100280036.db2.gz SYINECJOQVBRNF-OAHLLOKOSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC(=O)[C@H](C)CC3)cc21 ZINC001237881478 1100280042 /nfs/dbraw/zinc/28/00/42/1100280042.db2.gz SYINECJOQVBRNF-OAHLLOKOSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)C3CCN(C)CC3)cc21 ZINC001237881452 1100280106 /nfs/dbraw/zinc/28/01/06/1100280106.db2.gz RULNMPITCBOXHW-UHFFFAOYSA-N 2 1 313.489 3.214 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN(C)C3CC[NH+](C)CC3)cc21 ZINC001237881452 1100280111 /nfs/dbraw/zinc/28/01/11/1100280111.db2.gz RULNMPITCBOXHW-UHFFFAOYSA-N 2 1 313.489 3.214 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)cc21 ZINC001237886473 1100282682 /nfs/dbraw/zinc/28/26/82/1100282682.db2.gz NQHQJWOCYMBJTK-NIKGAXFTSA-N 2 1 312.457 3.155 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](O)C[C@H]3C)cc21 ZINC001237888038 1100283803 /nfs/dbraw/zinc/28/38/03/1100283803.db2.gz ZDKZNRLNUNGWEU-PBHICJAKSA-N 2 1 300.446 3.033 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](O)C[C@@H]3C)cc21 ZINC001237888041 1100284041 /nfs/dbraw/zinc/28/40/41/1100284041.db2.gz ZDKZNRLNUNGWEU-YOEHRIQHSA-N 2 1 300.446 3.033 20 0 DGADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(COc4ccccc4)cc3)C[C@H]2C1 ZINC001237921501 1100295085 /nfs/dbraw/zinc/29/50/85/1100295085.db2.gz RKZQZNTZCFGBHB-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(COc4ccccc4)cc3)C[C@@H]2C1 ZINC001237921501 1100295099 /nfs/dbraw/zinc/29/50/99/1100295099.db2.gz RKZQZNTZCFGBHB-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(COc4ccccc4)cc3)C[C@@H]2C1 ZINC001237921501 1100295102 /nfs/dbraw/zinc/29/51/02/1100295102.db2.gz RKZQZNTZCFGBHB-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP CN(Cc1cccc2c[nH+]cn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001238102460 1100362988 /nfs/dbraw/zinc/36/29/88/1100362988.db2.gz CWPSDEOBMDAEDK-LJQANCHMSA-N 2 1 320.440 3.041 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238111728 1100365404 /nfs/dbraw/zinc/36/54/04/1100365404.db2.gz WZBOEZKUQCOZIF-HNNXBMFYSA-N 2 1 309.413 3.406 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001205545591 1100366269 /nfs/dbraw/zinc/36/62/69/1100366269.db2.gz JSZHLUOPENSEIG-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001205545594 1100367954 /nfs/dbraw/zinc/36/79/54/1100367954.db2.gz JUCBXDWLOUTENH-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC001205546453 1100377559 /nfs/dbraw/zinc/37/75/59/1100377559.db2.gz VUFCCJZGSWWIOR-AWEZNQCLSA-N 2 1 315.230 3.102 20 0 DGADMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCCCF)(C2)CCC3)n(C)n1 ZINC001278209537 1100405530 /nfs/dbraw/zinc/40/55/30/1100405530.db2.gz OKOLMLPAHIHHHT-MSOLQXFVSA-N 2 1 322.472 3.003 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001238478791 1100454161 /nfs/dbraw/zinc/45/41/61/1100454161.db2.gz BDDTWRAMDQUNRG-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001238478791 1100454163 /nfs/dbraw/zinc/45/41/63/1100454163.db2.gz BDDTWRAMDQUNRG-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001238478791 1100454164 /nfs/dbraw/zinc/45/41/64/1100454164.db2.gz BDDTWRAMDQUNRG-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001238478791 1100454165 /nfs/dbraw/zinc/45/41/65/1100454165.db2.gz BDDTWRAMDQUNRG-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238708785 1100508891 /nfs/dbraw/zinc/50/88/91/1100508891.db2.gz YFWKVZFNTBLHMM-UHFFFAOYSA-N 2 1 319.468 3.344 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238708785 1100508896 /nfs/dbraw/zinc/50/88/96/1100508896.db2.gz YFWKVZFNTBLHMM-UHFFFAOYSA-N 2 1 319.468 3.344 20 0 DGADMP CC(C)c1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(Cl)n1 ZINC001238725027 1100513476 /nfs/dbraw/zinc/51/34/76/1100513476.db2.gz YXKIDVGXXCRVFU-HIFRSBDPSA-N 2 1 307.869 3.242 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(CC)c1O ZINC001205571965 1100528692 /nfs/dbraw/zinc/52/86/92/1100528692.db2.gz ZZOCAYOADUIPTN-SFHVURJKSA-N 2 1 308.441 3.170 20 0 DGADMP c1cc(C2=CCC[NH2+]CC2)cc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc12 ZINC001238947167 1100561824 /nfs/dbraw/zinc/56/18/24/1100561824.db2.gz LCDBQUGPURYGFE-DAYGRLMNSA-N 2 1 308.429 3.143 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205627909 1100724412 /nfs/dbraw/zinc/72/44/12/1100724412.db2.gz SUEKBDJWFFRFRC-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP Cn1ccc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc21 ZINC001239940787 1100805512 /nfs/dbraw/zinc/80/55/12/1100805512.db2.gz OPXVNBJXBVMYCR-UHFFFAOYSA-N 2 1 302.381 3.180 20 0 DGADMP c1cc2c[nH+]c(-c3cccc(CC[NH+]4CCOCC4)c3)cc2[nH]1 ZINC001240254438 1100913097 /nfs/dbraw/zinc/91/30/97/1100913097.db2.gz LDEDMRVTBZILEN-UHFFFAOYSA-N 2 1 307.397 3.105 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205671310 1100977889 /nfs/dbraw/zinc/97/78/89/1100977889.db2.gz ACAYUQMLHOGCMW-MRXNPFEDSA-N 2 1 322.499 3.152 20 0 DGADMP CCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1C ZINC001241197242 1101292048 /nfs/dbraw/zinc/29/20/48/1101292048.db2.gz HJHOEXXJOANHFE-UHFFFAOYSA-N 2 1 307.397 3.395 20 0 DGADMP CCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)c1 ZINC001241271112 1101338611 /nfs/dbraw/zinc/33/86/11/1101338611.db2.gz KNPWLWGDBNBRCT-UHFFFAOYSA-N 2 1 307.397 3.395 20 0 DGADMP CC[NH+]1CCN(c2ccc(-c3cccc(C(=[NH2+])OC)c3)cc2)CC1 ZINC001241744621 1101676519 /nfs/dbraw/zinc/67/65/19/1101676519.db2.gz YHYRYYQRSCFDPD-UHFFFAOYSA-N 2 1 323.440 3.467 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCN(C)c1ccccc1 ZINC001197930598 1101702956 /nfs/dbraw/zinc/70/29/56/1101702956.db2.gz RFXCSBITIGBYCK-GOSISDBHSA-N 2 1 324.472 3.119 20 0 DGADMP Cn1ccc2c1cc[nH+]c2-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241814423 1101718884 /nfs/dbraw/zinc/71/88/84/1101718884.db2.gz JUGYOWBMFDAJPU-UHFFFAOYSA-N 2 1 307.397 3.073 20 0 DGADMP c1nn(C2CCCCC2)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241840638 1101742444 /nfs/dbraw/zinc/74/24/44/1101742444.db2.gz GOPHNFRAZYTOHL-UHFFFAOYSA-N 2 1 321.428 3.390 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2nccn21 ZINC001199335713 1102118137 /nfs/dbraw/zinc/11/81/37/1102118137.db2.gz ANYWSZCDHUXXBW-MRXNPFEDSA-N 2 1 300.450 3.079 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCc1cccc(Br)c1 ZINC001205901180 1102398745 /nfs/dbraw/zinc/39/87/45/1102398745.db2.gz BPXUSUWEPIDQKH-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1cccc(Br)c1 ZINC001205901180 1102398759 /nfs/dbraw/zinc/39/87/59/1102398759.db2.gz BPXUSUWEPIDQKH-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200894746 1102426183 /nfs/dbraw/zinc/42/61/83/1102426183.db2.gz XJGHAYBBLHVEEF-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1c[nH]nc1-c1cccnc1)C(C)C ZINC001200923567 1102438589 /nfs/dbraw/zinc/43/85/89/1102438589.db2.gz SVIRDZKDMYTMAC-UHFFFAOYSA-N 2 1 315.465 3.070 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408419 1102573055 /nfs/dbraw/zinc/57/30/55/1102573055.db2.gz GGKUQOUOXJEASK-YESZJQIVSA-N 2 1 302.487 3.468 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408419 1102573059 /nfs/dbraw/zinc/57/30/59/1102573059.db2.gz GGKUQOUOXJEASK-YESZJQIVSA-N 2 1 302.487 3.468 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408419 1102573067 /nfs/dbraw/zinc/57/30/67/1102573067.db2.gz GGKUQOUOXJEASK-YESZJQIVSA-N 2 1 302.487 3.468 20 0 DGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408419 1102573072 /nfs/dbraw/zinc/57/30/72/1102573072.db2.gz GGKUQOUOXJEASK-YESZJQIVSA-N 2 1 302.487 3.468 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Br ZINC001205916639 1102579495 /nfs/dbraw/zinc/57/94/95/1102579495.db2.gz VEEXXUWLXDMORC-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Br ZINC001205916639 1102579500 /nfs/dbraw/zinc/57/95/00/1102579500.db2.gz VEEXXUWLXDMORC-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201509079 1102619430 /nfs/dbraw/zinc/61/94/30/1102619430.db2.gz MOKPAFFMGYNUJS-GOSISDBHSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201544479 1102633811 /nfs/dbraw/zinc/63/38/11/1102633811.db2.gz XSKWHKNTWTWAAF-BHIYHBOVSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001201544479 1102633821 /nfs/dbraw/zinc/63/38/21/1102633821.db2.gz XSKWHKNTWTWAAF-BHIYHBOVSA-N 2 1 308.510 3.103 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001201544479 1102633823 /nfs/dbraw/zinc/63/38/23/1102633823.db2.gz XSKWHKNTWTWAAF-BHIYHBOVSA-N 2 1 308.510 3.103 20 0 DGADMP CSCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201696229 1102692278 /nfs/dbraw/zinc/69/22/78/1102692278.db2.gz ISXMHXRFYCSOEI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201696229 1102692287 /nfs/dbraw/zinc/69/22/87/1102692287.db2.gz ISXMHXRFYCSOEI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201696229 1102692293 /nfs/dbraw/zinc/69/22/93/1102692293.db2.gz ISXMHXRFYCSOEI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP C/C=C\C[C@@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001202100739 1102830433 /nfs/dbraw/zinc/83/04/33/1102830433.db2.gz AMFJEKCAKCYPCI-XFHJGTJQSA-N 2 1 304.478 3.061 20 0 DGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CCC(C)(C)C)CC3)n1 ZINC001202077123 1102837402 /nfs/dbraw/zinc/83/74/02/1102837402.db2.gz BAXQZVYZWWTBEU-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CCC(C)(C)C)CC3)n1 ZINC001202077123 1102837424 /nfs/dbraw/zinc/83/74/24/1102837424.db2.gz BAXQZVYZWWTBEU-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP COC(=[NH2+])c1cccc(-c2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001243670424 1102904320 /nfs/dbraw/zinc/90/43/20/1102904320.db2.gz FVIUGKUKNLJNTP-UHFFFAOYSA-N 2 1 309.413 3.077 20 0 DGADMP C[NH+](C)CCOc1cccc(-c2ccc3c(c2)CC[N@H+](C)C3)c1 ZINC001243752801 1102960811 /nfs/dbraw/zinc/96/08/11/1102960811.db2.gz ZAOASUWZFSKVRS-UHFFFAOYSA-N 2 1 310.441 3.282 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591038 1103155805 /nfs/dbraw/zinc/15/58/05/1103155805.db2.gz PLYZWGWKMKMSNH-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(F)c(F)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591038 1103155823 /nfs/dbraw/zinc/15/58/23/1103155823.db2.gz PLYZWGWKMKMSNH-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)C1 ZINC001325968362 1103171714 /nfs/dbraw/zinc/17/17/14/1103171714.db2.gz GMCQNRKFUXOCGS-HNNXBMFYSA-N 2 1 317.477 3.245 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC001326037577 1103190526 /nfs/dbraw/zinc/19/05/26/1103190526.db2.gz MZGOIYZWYHUZGC-BRSBDYLESA-N 2 1 316.493 3.352 20 0 DGADMP COc1c(C)cc(C)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244107617 1103216653 /nfs/dbraw/zinc/21/66/53/1103216653.db2.gz ZUWBWVDZRBIALJ-UHFFFAOYSA-N 2 1 307.397 3.314 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326236039 1103242432 /nfs/dbraw/zinc/24/24/32/1103242432.db2.gz AOIOZLFNACSVRA-QPJJXVBHSA-N 2 1 300.446 3.174 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001326236400 1103242972 /nfs/dbraw/zinc/24/29/72/1103242972.db2.gz HXARMRJEUKVFMN-HZPDHXFCSA-N 2 1 308.416 3.219 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000689000517 1103277641 /nfs/dbraw/zinc/27/76/41/1103277641.db2.gz ZHKMVEYLASVMQT-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000689000517 1103277648 /nfs/dbraw/zinc/27/76/48/1103277648.db2.gz ZHKMVEYLASVMQT-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001326906471 1103476833 /nfs/dbraw/zinc/47/68/33/1103476833.db2.gz KDIYAIPTSLWMMJ-MRXNPFEDSA-N 2 1 312.417 3.361 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC001327838773 1103739502 /nfs/dbraw/zinc/73/95/02/1103739502.db2.gz CWRGEVDGRMRFGA-WDEREUQCSA-N 2 1 300.830 3.006 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(OCCC[NH+](C)C)cc1 ZINC001245336273 1103990793 /nfs/dbraw/zinc/99/07/93/1103990793.db2.gz FSYSLVJUUVIEKW-UHFFFAOYSA-N 2 1 313.445 3.454 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC001246078067 1104371384 /nfs/dbraw/zinc/37/13/84/1104371384.db2.gz ZYDZHTNMNJYNRA-CYBMUJFWSA-N 2 1 315.230 3.208 20 0 DGADMP CCCC[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246002605 1104350841 /nfs/dbraw/zinc/35/08/41/1104350841.db2.gz UZEDMVJCOFHTGR-MRXNPFEDSA-N 2 1 310.869 3.059 20 0 DGADMP CCCCC[C@H](O)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246030808 1104354358 /nfs/dbraw/zinc/35/43/58/1104354358.db2.gz AXSMTIYBERGSBK-ZCNNSNEGSA-N 2 1 316.489 3.007 20 0 DGADMP CC(C)(C)[C@H](O)C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246055863 1104358990 /nfs/dbraw/zinc/35/89/90/1104358990.db2.gz PGLLHPMDFXRNCO-JFIYKMOQSA-N 2 1 322.468 3.305 20 0 DGADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246071137 1104364671 /nfs/dbraw/zinc/36/46/71/1104364671.db2.gz HPBNUBJGXJSEGP-RTBURBONSA-N 2 1 310.441 3.148 20 0 DGADMP CCC(CC)[N@@H+](C[C@]1(O)CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001246065782 1104364742 /nfs/dbraw/zinc/36/47/42/1104364742.db2.gz JFEPDITYBHEMDN-APWZRJJASA-N 2 1 304.478 3.353 20 0 DGADMP Cc1ccccc1C[N@@H+](C[C@H](O)C(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071460 1104364908 /nfs/dbraw/zinc/36/49/08/1104364908.db2.gz SDVDNNRIUHRDNV-FHWLQOOXSA-N 2 1 318.505 3.474 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072476 1104366691 /nfs/dbraw/zinc/36/66/91/1104366691.db2.gz HVLUQNAPTGMFDL-PXNSSMCTSA-N 3 1 315.505 3.019 20 0 DGADMP CC[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246073807 1104367833 /nfs/dbraw/zinc/36/78/33/1104367833.db2.gz KEZGDXVIJYTIKR-IYWMVGAKSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246073807 1104367842 /nfs/dbraw/zinc/36/78/42/1104367842.db2.gz KEZGDXVIJYTIKR-IYWMVGAKSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072478 1104368222 /nfs/dbraw/zinc/36/82/22/1104368222.db2.gz HVLUQNAPTGMFDL-XLIONFOSSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246075588 1104368856 /nfs/dbraw/zinc/36/88/56/1104368856.db2.gz KTHRZRYHXMDJOQ-IZZQQSIFSA-N 2 1 315.505 3.289 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC001246074867 1104368876 /nfs/dbraw/zinc/36/88/76/1104368876.db2.gz FISWUVYFRYSQSK-UONOGXRCSA-N 2 1 315.230 3.208 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246074992 1104370379 /nfs/dbraw/zinc/37/03/79/1104370379.db2.gz RZURGYOJQHJWAD-JENIJYKNSA-N 2 1 319.468 3.001 20 0 DGADMP CC[C@@H]1CC([NH2+]Cc2ccc(OC)cc2OC)C[C@@H](CC)[NH2+]1 ZINC001246075553 1104370444 /nfs/dbraw/zinc/37/04/44/1104370444.db2.gz VROGBYWWRWLBHV-HUUCEWRRSA-N 2 1 306.450 3.103 20 0 DGADMP c1ccc(CO[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246074931 1104370855 /nfs/dbraw/zinc/37/08/55/1104370855.db2.gz GIWDOPNDSHOVNB-IPMKNSEASA-N 2 1 302.462 3.246 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246083414 1104376319 /nfs/dbraw/zinc/37/63/19/1104376319.db2.gz YUYUYFDENRLRTD-QWHCGFSZSA-N 2 1 302.340 3.205 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246120986 1104396641 /nfs/dbraw/zinc/39/66/41/1104396641.db2.gz UGWDQRZIDQPNQE-PKOBYXMFSA-N 2 1 313.420 3.299 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@H]1C[NH2+]CC13CC3)C2 ZINC001246127323 1104397886 /nfs/dbraw/zinc/39/78/86/1104397886.db2.gz BNWDOKLDFBWJGU-DOMZBBRYSA-N 2 1 311.256 3.192 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@@H]1C[NH2+]CC13CC3)C2 ZINC001246127334 1104398612 /nfs/dbraw/zinc/39/86/12/1104398612.db2.gz BNWDOKLDFBWJGU-IUODEOHRSA-N 2 1 311.256 3.192 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246129633 1104399930 /nfs/dbraw/zinc/39/99/30/1104399930.db2.gz GTWHIEIZEBWPKV-MEBBXXQBSA-N 2 1 314.807 3.281 20 0 DGADMP F[C@]1(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246141935 1104403317 /nfs/dbraw/zinc/40/33/17/1104403317.db2.gz HZWCAGSOMXSPGY-SWLSCSKDSA-N 2 1 317.235 3.142 20 0 DGADMP F[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246141896 1104403402 /nfs/dbraw/zinc/40/34/02/1104403402.db2.gz HZWCAGSOMXSPGY-DOMZBBRYSA-N 2 1 317.235 3.142 20 0 DGADMP C1CCC2(C1)CCC([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246158672 1104409776 /nfs/dbraw/zinc/40/97/76/1104409776.db2.gz GSDKFYLVXSCRNI-IEBWSBKVSA-N 2 1 306.494 3.380 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246157767 1104410435 /nfs/dbraw/zinc/41/04/35/1104410435.db2.gz DTADICBWBJREMD-KBPBESRZSA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC001246160465 1104412388 /nfs/dbraw/zinc/41/23/88/1104412388.db2.gz UIWXMGITJRQIHS-WDAIWFPHSA-N 2 1 304.331 3.463 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246165539 1104413242 /nfs/dbraw/zinc/41/32/42/1104413242.db2.gz JCZRXDOUJYGTEK-DNVCBOLYSA-N 2 1 308.425 3.148 20 0 DGADMP F[C@@]1(C[NH2+]C2CCC(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC001246168433 1104415697 /nfs/dbraw/zinc/41/56/97/1104415697.db2.gz DDKXDSQEDPZCCZ-ACBHZAAOSA-N 2 1 304.453 3.469 20 0 DGADMP Clc1ccc(N2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246167187 1104415928 /nfs/dbraw/zinc/41/59/28/1104415928.db2.gz DPXIVGSCVMAGMR-MRXNPFEDSA-N 2 1 307.869 3.041 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246172092 1104418833 /nfs/dbraw/zinc/41/88/33/1104418833.db2.gz ZAEWTUZKLDABOP-HNJRGHQBSA-N 2 1 315.505 3.160 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001274623917 1104425458 /nfs/dbraw/zinc/42/54/58/1104425458.db2.gz NYJIUOPZYOICFA-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC001246184168 1104426776 /nfs/dbraw/zinc/42/67/76/1104426776.db2.gz ZWPFTJTXURRPBH-LNLFQRSKSA-N 2 1 319.468 3.001 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001246190503 1104429555 /nfs/dbraw/zinc/42/95/55/1104429555.db2.gz NYFNZRKNEIYKFX-CEXWTWQISA-N 2 1 303.494 3.190 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246191919 1104432515 /nfs/dbraw/zinc/43/25/15/1104432515.db2.gz AXGNJGLUBHQEAZ-UHFFFAOYSA-N 3 1 309.542 3.401 20 0 DGADMP CCCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246191874 1104432710 /nfs/dbraw/zinc/43/27/10/1104432710.db2.gz RGAAFTRHQHVCNP-WMZOPIPTSA-N 2 1 320.477 3.396 20 0 DGADMP Cc1cc2c(s1)N(C1CC[NH2+]CC1)c1ccccc1NC2=[NH2+] ZINC001246193024 1104432833 /nfs/dbraw/zinc/43/28/33/1104432833.db2.gz DVLAHWNRXJNXFZ-UHFFFAOYSA-N 2 1 312.442 3.297 20 0 DGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001329953759 1104436988 /nfs/dbraw/zinc/43/69/88/1104436988.db2.gz PPTHAHWWHRGNPJ-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@H]3CN[C@H](CO)C3)CC2)CC1 ZINC001246213313 1104439177 /nfs/dbraw/zinc/43/91/77/1104439177.db2.gz QAEYBYDGSSWVMA-YQLLWQDDSA-N 2 1 308.510 3.074 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@H]3C[NH2+][C@H](CO)C3)CC2)CC1 ZINC001246213313 1104439180 /nfs/dbraw/zinc/43/91/80/1104439180.db2.gz QAEYBYDGSSWVMA-YQLLWQDDSA-N 2 1 308.510 3.074 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246220065 1104443474 /nfs/dbraw/zinc/44/34/74/1104443474.db2.gz CKCWOLJUAREDAZ-XZKMEQPCSA-N 3 1 319.468 3.034 20 0 DGADMP C[C@H]1CC([NH2+]Cc2cc(F)ccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246221486 1104443483 /nfs/dbraw/zinc/44/34/83/1104443483.db2.gz CWURPDHLIIMORU-UWVGGRQHSA-N 2 1 304.331 3.463 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1F ZINC001246228488 1104447349 /nfs/dbraw/zinc/44/73/49/1104447349.db2.gz XRMSHUFCTGWICF-OAHLLOKOSA-N 2 1 306.425 3.379 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246233953 1104450331 /nfs/dbraw/zinc/45/03/31/1104450331.db2.gz VMWUMMHMVREUBP-CMPLNLGQSA-N 2 1 320.786 3.245 20 0 DGADMP COC(=O)[C@H](CC1CCCCC1)[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246238684 1104452018 /nfs/dbraw/zinc/45/20/18/1104452018.db2.gz GCHUGGXLCHUTBC-JENIJYKNSA-N 2 1 322.493 3.010 20 0 DGADMP COC(=O)[C@H](CC1CCCCC1)[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246238688 1104452395 /nfs/dbraw/zinc/45/23/95/1104452395.db2.gz GCHUGGXLCHUTBC-LNLFQRSKSA-N 2 1 322.493 3.010 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246238178 1104452747 /nfs/dbraw/zinc/45/27/47/1104452747.db2.gz YLOAUYLEDZVEAQ-OLZOCXBDSA-N 2 1 316.367 3.334 20 0 DGADMP CC(C)([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC001246251023 1104458878 /nfs/dbraw/zinc/45/88/78/1104458878.db2.gz BFVXSUXOSKHSOE-GFCCVEGCSA-N 2 1 311.267 3.416 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1ccc2ccccc2c1 ZINC001246253578 1104461281 /nfs/dbraw/zinc/46/12/81/1104461281.db2.gz VDZCUAUAURGSFQ-ICCJLLLJSA-N 2 1 323.440 3.039 20 0 DGADMP CCC[C@H]1CC[C@H](C2CCC([NH2+][C@H]3C[NH2+][C@@H](CO)C3)CC2)CC1 ZINC001246261101 1104464742 /nfs/dbraw/zinc/46/47/42/1104464742.db2.gz JUDBOAPIFZKJRN-UUMMCEDOSA-N 2 1 322.537 3.464 20 0 DGADMP CCC1CCC(C2CCC([NH2+][C@]3(CO)CC[NH2+]C3)CC2)CC1 ZINC001246286968 1104475960 /nfs/dbraw/zinc/47/59/60/1104475960.db2.gz ITKUEFNHTLGKSS-PHDXLQKJSA-N 2 1 308.510 3.076 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c(Cl)cccc2C1)Cc1ccccc1 ZINC001246299604 1104478766 /nfs/dbraw/zinc/47/87/66/1104478766.db2.gz LCHPVDKAAVLPJM-DLBZAZTESA-N 2 1 314.860 3.357 20 0 DGADMP Brc1cccc(C2(C[NH2+][C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246324399 1104488925 /nfs/dbraw/zinc/48/89/25/1104488925.db2.gz NSKJYSAGGFQRJN-OAHLLOKOSA-N 2 1 323.278 3.212 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001246328897 1104492980 /nfs/dbraw/zinc/49/29/80/1104492980.db2.gz ZOVSMKGGLFQZSC-LYRGGWFBSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246329467 1104493424 /nfs/dbraw/zinc/49/34/24/1104493424.db2.gz QUVLCDPADZWXQS-YWPYICTPSA-N 2 1 316.367 3.246 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246332952 1104496424 /nfs/dbraw/zinc/49/64/24/1104496424.db2.gz SZFRBJDHJDPXAD-WNMQOVRZSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001246345716 1104500716 /nfs/dbraw/zinc/50/07/16/1104500716.db2.gz HEECVQXCCDEJDG-BZPMIXESSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345716 1104500723 /nfs/dbraw/zinc/50/07/23/1104500723.db2.gz HEECVQXCCDEJDG-BZPMIXESSA-N 2 1 311.267 3.110 20 0 DGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)N2 ZINC001246351340 1104504386 /nfs/dbraw/zinc/50/43/86/1104504386.db2.gz MNQHDHWBRRFNBC-QZTJIDSGSA-N 2 1 313.489 3.410 20 0 DGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)N2 ZINC001246351340 1104504395 /nfs/dbraw/zinc/50/43/95/1104504395.db2.gz MNQHDHWBRRFNBC-QZTJIDSGSA-N 2 1 313.489 3.410 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246356667 1104506204 /nfs/dbraw/zinc/50/62/04/1104506204.db2.gz OQEWRGWDYYRYOY-LBPRGKRZSA-N 2 1 311.267 3.241 20 0 DGADMP CC(C)[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246360708 1104507579 /nfs/dbraw/zinc/50/75/79/1104507579.db2.gz IMQPBTLVFSJSKU-FHWLQOOXSA-N 2 1 307.526 3.007 20 0 DGADMP CC[C@H]1CC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246363184 1104510400 /nfs/dbraw/zinc/51/04/00/1104510400.db2.gz QTLDIBOWLGYSDZ-BZSNNMDCSA-N 2 1 307.526 3.150 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246374074 1104512781 /nfs/dbraw/zinc/51/27/81/1104512781.db2.gz FFYFNQPGYXTMHB-HUUCEWRRSA-N 2 1 322.880 3.466 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2OC)C2CC2)CC[NH2+]1 ZINC001246391701 1104521985 /nfs/dbraw/zinc/52/19/85/1104521985.db2.gz GQADVEWKVLWNQW-NUJGCVRESA-N 2 1 317.477 3.442 20 0 DGADMP CC[C@@H]1C[C@@H](N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246395041 1104523738 /nfs/dbraw/zinc/52/37/38/1104523738.db2.gz MMFYZKINJXTPEW-AABGKKOBSA-N 2 1 315.505 3.238 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246403278 1104527863 /nfs/dbraw/zinc/52/78/63/1104527863.db2.gz CKMJCBNVVOJVSK-AEFFLSMTSA-N 2 1 320.477 3.252 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407886 1104529598 /nfs/dbraw/zinc/52/95/98/1104529598.db2.gz VGGNSRZAYQHDLP-WNHJNPCNSA-N 2 1 307.526 3.279 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+][C@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC001246411133 1104531045 /nfs/dbraw/zinc/53/10/45/1104531045.db2.gz OPWMWHSTCIZYFN-MFKMUULPSA-N 2 1 302.340 3.117 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246407893 1104531581 /nfs/dbraw/zinc/53/15/81/1104531581.db2.gz VIYMUABDLMQGNU-FLQXLDSJSA-N 3 1 313.489 3.042 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccnc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410032 1104531682 /nfs/dbraw/zinc/53/16/82/1104531682.db2.gz FKQBOTOHRXAREO-ZBFHGGJFSA-N 2 1 323.431 3.302 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CCC2)c1 ZINC001246429561 1104535800 /nfs/dbraw/zinc/53/58/00/1104535800.db2.gz AIJPGWCFGHBPHQ-WBVHZDCISA-N 2 1 302.462 3.138 20 0 DGADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)Cc1cccc(C(F)(F)F)c1 ZINC001246433575 1104537685 /nfs/dbraw/zinc/53/76/85/1104537685.db2.gz RNFYSZXETLCBDY-AWEZNQCLSA-N 2 1 300.368 3.226 20 0 DGADMP CC1(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)CCCCC1 ZINC001274906495 1104538817 /nfs/dbraw/zinc/53/88/17/1104538817.db2.gz YRDHYDSOABRSHR-UHFFFAOYSA-N 2 1 316.493 3.278 20 0 DGADMP C[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440224 1104539660 /nfs/dbraw/zinc/53/96/60/1104539660.db2.gz CWFKLWUQDMCLIS-QZHFEQFPSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246440224 1104539665 /nfs/dbraw/zinc/53/96/65/1104539665.db2.gz CWFKLWUQDMCLIS-QZHFEQFPSA-N 3 1 319.468 3.038 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCN(c2ccccc2)CC1 ZINC001274908467 1104540305 /nfs/dbraw/zinc/54/03/05/1104540305.db2.gz UAOMWQHZEFXXSL-CTXDPNEZSA-N 2 1 313.489 3.118 20 0 DGADMP CC[C@@]1([NH2+][C@H]2CCc3cccc(Br)c3C2)CC[NH2+]C1 ZINC001246456459 1104546558 /nfs/dbraw/zinc/54/65/58/1104546558.db2.gz ARDZODALURPWPK-XJKSGUPXSA-N 2 1 323.278 3.038 20 0 DGADMP CC[C@@]1([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC[NH2+]C1 ZINC001246457906 1104548104 /nfs/dbraw/zinc/54/81/04/1104548104.db2.gz FPJDAUSEYBIXHR-JKSUJKDBSA-N 2 1 323.278 3.038 20 0 DGADMP c1ccc([C@H](CC2CCOCC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246459830 1104548215 /nfs/dbraw/zinc/54/82/15/1104548215.db2.gz SRTZUANHCLBEQT-MOPGFXCFSA-N 2 1 302.462 3.276 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246462440 1104549536 /nfs/dbraw/zinc/54/95/36/1104549536.db2.gz SBIGPAULQWRJQU-MAUKXSAKSA-N 2 1 310.482 3.010 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001246480002 1104558541 /nfs/dbraw/zinc/55/85/41/1104558541.db2.gz XMJXFYIIISFCNX-CZPYZCIJSA-N 2 1 308.878 3.184 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001246479998 1104559039 /nfs/dbraw/zinc/55/90/39/1104559039.db2.gz XMJXFYIIISFCNX-AVRGHOLYSA-N 2 1 308.878 3.184 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CC[NH2+]CC1(F)F)CC2 ZINC001246493284 1104565612 /nfs/dbraw/zinc/56/56/12/1104565612.db2.gz YAHJWHXPLIRKOB-IAGOWNOFSA-N 2 1 308.416 3.077 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001246499037 1104565643 /nfs/dbraw/zinc/56/56/43/1104565643.db2.gz AFCFQVUICLIHAL-PQUAAJSLSA-N 2 1 324.509 3.386 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC001246502490 1104568780 /nfs/dbraw/zinc/56/87/80/1104568780.db2.gz FGOSMNXOUMUBPY-DOMZBBRYSA-N 2 1 313.283 3.343 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246502419 1104569111 /nfs/dbraw/zinc/56/91/11/1104569111.db2.gz FDZNRLWPXIVNMI-NEWSRXKRSA-N 2 1 303.494 3.003 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c1 ZINC001246521707 1104576343 /nfs/dbraw/zinc/57/63/43/1104576343.db2.gz PYNYIZYBLOWSMH-RBUKOAKNSA-N 2 1 315.505 3.202 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(F)c1F ZINC001275018492 1104578287 /nfs/dbraw/zinc/57/82/87/1104578287.db2.gz YHDDHGIMDOIAJL-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(F)c1F ZINC001275018492 1104578294 /nfs/dbraw/zinc/57/82/94/1104578294.db2.gz YHDDHGIMDOIAJL-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC[C@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC[NH2+]1 ZINC001246533985 1104580299 /nfs/dbraw/zinc/58/02/99/1104580299.db2.gz PHLOFQPOCITEBB-DLBZAZTESA-N 2 1 321.896 3.301 20 0 DGADMP CCOc1c(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1F ZINC001275025688 1104582439 /nfs/dbraw/zinc/58/24/39/1104582439.db2.gz WSCAHGGPMHZLMT-GASCZTMLSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1c(F)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1F ZINC001275025688 1104582448 /nfs/dbraw/zinc/58/24/48/1104582448.db2.gz WSCAHGGPMHZLMT-GASCZTMLSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1c(F)cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1F ZINC001275025688 1104582457 /nfs/dbraw/zinc/58/24/57/1104582457.db2.gz WSCAHGGPMHZLMT-GASCZTMLSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1c(F)cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1F ZINC001275025620 1104583315 /nfs/dbraw/zinc/58/33/15/1104583315.db2.gz UCPTWUPPFKJOPR-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCOc1c(F)cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1F ZINC001275025620 1104583325 /nfs/dbraw/zinc/58/33/25/1104583325.db2.gz UCPTWUPPFKJOPR-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC1(C)C[C@H](N2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246537833 1104583617 /nfs/dbraw/zinc/58/36/17/1104583617.db2.gz DFTFCONIYRCYEC-RTBURBONSA-N 2 1 315.505 3.243 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@@H]([NH3+])CC1)CC2 ZINC001246538491 1104583642 /nfs/dbraw/zinc/58/36/42/1104583642.db2.gz CERJUDWBIDXLNP-OLZOCXBDSA-N 2 1 308.853 3.019 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246546046 1104587665 /nfs/dbraw/zinc/58/76/65/1104587665.db2.gz MMYQCNOWNFJDTB-TZMCWYRMSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]1C[NH3+] ZINC001246547904 1104588052 /nfs/dbraw/zinc/58/80/52/1104588052.db2.gz DBQAIIKBJZMHKJ-GJZGRUSLSA-N 2 1 321.896 3.226 20 0 DGADMP C[C@@H]1CC[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246548731 1104589025 /nfs/dbraw/zinc/58/90/25/1104589025.db2.gz GCNFDMJUFKNKOS-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H]1CC([N@@H+]2CCc3ccc(OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246549628 1104589917 /nfs/dbraw/zinc/58/99/17/1104589917.db2.gz HNSMPHQECLEYME-IRXDYDNUSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@H]1CC([N@H+]2CCc3ccc(OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246549628 1104589926 /nfs/dbraw/zinc/58/99/26/1104589926.db2.gz HNSMPHQECLEYME-IRXDYDNUSA-N 2 1 302.462 3.363 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001246549307 1104591072 /nfs/dbraw/zinc/59/10/72/1104591072.db2.gz WQFONLQXHMFLHL-HNNXBMFYSA-N 2 1 307.869 3.122 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551369 1104591180 /nfs/dbraw/zinc/59/11/80/1104591180.db2.gz QCTJVHXSAYSZQV-UONOGXRCSA-N 2 1 322.880 3.137 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551369 1104591189 /nfs/dbraw/zinc/59/11/89/1104591189.db2.gz QCTJVHXSAYSZQV-UONOGXRCSA-N 2 1 322.880 3.137 20 0 DGADMP CC(C)(C)C[N@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275051374 1104594427 /nfs/dbraw/zinc/59/44/27/1104594427.db2.gz YUHCALBVWWNNMV-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)C[NH+]1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275051374 1104594439 /nfs/dbraw/zinc/59/44/39/1104594439.db2.gz YUHCALBVWWNNMV-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)(C)C[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275051374 1104594448 /nfs/dbraw/zinc/59/44/48/1104594448.db2.gz YUHCALBVWWNNMV-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001246559432 1104595349 /nfs/dbraw/zinc/59/53/49/1104595349.db2.gz BGDQPSTWUQPZRB-HNXFYBAISA-N 2 1 302.462 3.436 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001246559434 1104595675 /nfs/dbraw/zinc/59/56/75/1104595675.db2.gz BGDQPSTWUQPZRB-XNYRCJLNSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1[NH3+] ZINC001246563831 1104598445 /nfs/dbraw/zinc/59/84/45/1104598445.db2.gz VAGRFRNVBVHLAT-NZSAHSFTSA-N 2 1 315.505 3.099 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275066221 1104603840 /nfs/dbraw/zinc/60/38/40/1104603840.db2.gz SWHOYDSBNSRHKD-SFHVURJKSA-N 2 1 318.509 3.107 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001246578835 1104603907 /nfs/dbraw/zinc/60/39/07/1104603907.db2.gz CSMVACDCMOODBH-CEXWTWQISA-N 2 1 302.462 3.358 20 0 DGADMP COC[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246583314 1104605643 /nfs/dbraw/zinc/60/56/43/1104605643.db2.gz QJJQGIRWZSXAFY-JENIJYKNSA-N 2 1 320.452 3.428 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246583314 1104605649 /nfs/dbraw/zinc/60/56/49/1104605649.db2.gz QJJQGIRWZSXAFY-JENIJYKNSA-N 2 1 320.452 3.428 20 0 DGADMP C[C@H]1CC([N@@H+](C)Cc2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC001246586725 1104606727 /nfs/dbraw/zinc/60/67/27/1104606727.db2.gz NSHDQPRXRXQUTM-RYUDHWBXSA-N 2 1 311.267 3.410 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001275073415 1104608328 /nfs/dbraw/zinc/60/83/28/1104608328.db2.gz MBSRPCCSJSCSBK-SFHVURJKSA-N 2 1 309.542 3.162 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246589396 1104608397 /nfs/dbraw/zinc/60/83/97/1104608397.db2.gz DDWDPHMRGWTUII-TXPKVOOTSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH2+][C@H](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246592823 1104610941 /nfs/dbraw/zinc/61/09/41/1104610941.db2.gz HGOCGDBCXXVOHY-FTEYMNFISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1CC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)C[C@H](C)[NH2+]1 ZINC001246593604 1104611779 /nfs/dbraw/zinc/61/17/79/1104611779.db2.gz HKBNHMDCTANBFR-IRXDYDNUSA-N 3 1 307.526 3.151 20 0 DGADMP CCCC[C@H](CCC)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246605602 1104621599 /nfs/dbraw/zinc/62/15/99/1104621599.db2.gz VMHPXNPXNXCIJQ-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096419 1104622886 /nfs/dbraw/zinc/62/28/86/1104622886.db2.gz HYZIKBMUUPGWEQ-LJQANCHMSA-N 2 1 317.477 3.121 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246607639 1104624026 /nfs/dbraw/zinc/62/40/26/1104624026.db2.gz GZZFHESDPMBPJP-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609264 1104624546 /nfs/dbraw/zinc/62/45/46/1104624546.db2.gz MBRUSPBLEWULDM-MJGOQNOKSA-N 2 1 301.478 3.258 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246610911 1104626342 /nfs/dbraw/zinc/62/63/42/1104626342.db2.gz SLHXZCTVYJZYMB-APWZRJJASA-N 2 1 302.462 3.092 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610859 1104626694 /nfs/dbraw/zinc/62/66/94/1104626694.db2.gz OGNXXOUVZAQYRI-QFBILLFUSA-N 2 1 302.437 3.149 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246611321 1104626712 /nfs/dbraw/zinc/62/67/12/1104626712.db2.gz UMIAVRKZFGNWKG-MOPGFXCFSA-N 3 1 309.542 3.353 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246611321 1104626718 /nfs/dbraw/zinc/62/67/18/1104626718.db2.gz UMIAVRKZFGNWKG-MOPGFXCFSA-N 3 1 309.542 3.353 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246619904 1104631368 /nfs/dbraw/zinc/63/13/68/1104631368.db2.gz MQNGRNYXVCIRJP-PMACEKPBSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246619904 1104631369 /nfs/dbraw/zinc/63/13/69/1104631369.db2.gz MQNGRNYXVCIRJP-PMACEKPBSA-N 2 1 316.489 3.098 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246621755 1104632449 /nfs/dbraw/zinc/63/24/49/1104632449.db2.gz GBSCLCFVEQWYPM-BMFAXAFESA-N 2 1 313.489 3.438 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246627833 1104635026 /nfs/dbraw/zinc/63/50/26/1104635026.db2.gz AGNYBWKRRMICHE-FXAWDEMLSA-N 2 1 314.473 3.161 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CCC4(C[NH2+]C4)C3)ccc2c1 ZINC001246630657 1104635965 /nfs/dbraw/zinc/63/59/65/1104635965.db2.gz KGDMDXOINZFWAX-MRXNPFEDSA-N 2 1 324.468 3.465 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CS2 ZINC001246629775 1104637061 /nfs/dbraw/zinc/63/70/61/1104637061.db2.gz GLLNIVLPBGADJE-WMZOPIPTSA-N 2 1 302.487 3.312 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CCC3(C[NH2+]C3)C1)CC2 ZINC001246628983 1104637291 /nfs/dbraw/zinc/63/72/91/1104637291.db2.gz FFQDSTGYOPYTCL-ZDUSSCGKSA-N 2 1 311.256 3.146 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CCC3(C[NH2+]C3)C1)CC2 ZINC001246628983 1104637297 /nfs/dbraw/zinc/63/72/97/1104637297.db2.gz FFQDSTGYOPYTCL-ZDUSSCGKSA-N 2 1 311.256 3.146 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634507 1104637898 /nfs/dbraw/zinc/63/78/98/1104637898.db2.gz OBEUBTWGUVJEPG-FUHWJXTLSA-N 2 1 310.482 3.107 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001246644831 1104643783 /nfs/dbraw/zinc/64/37/83/1104643783.db2.gz LYXBMGMMTOAZIZ-UZLBHIALSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246646833 1104644262 /nfs/dbraw/zinc/64/42/62/1104644262.db2.gz IGMGLPKPJKJOKZ-MJBXVCDLSA-N 2 1 310.894 3.362 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246649112 1104644961 /nfs/dbraw/zinc/64/49/61/1104644961.db2.gz VGRQESRLDHCRGH-YCPHGPKFSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246649112 1104644965 /nfs/dbraw/zinc/64/49/65/1104644965.db2.gz VGRQESRLDHCRGH-YCPHGPKFSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648332 1104645105 /nfs/dbraw/zinc/64/51/05/1104645105.db2.gz XRWJLSQFNJOCAS-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648332 1104645109 /nfs/dbraw/zinc/64/51/09/1104645109.db2.gz XRWJLSQFNJOCAS-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP c1[nH]c2ccccc2c1CC[N@@H+]1CCC2(C[NH+](CC3CC3)C2)C1 ZINC001275138704 1104645077 /nfs/dbraw/zinc/64/50/77/1104645077.db2.gz XLNZJVVUDXUZGY-UHFFFAOYSA-N 2 1 309.457 3.128 20 0 DGADMP c1[nH]c2ccccc2c1CC[N@H+]1CCC2(C[NH+](CC3CC3)C2)C1 ZINC001275138704 1104645085 /nfs/dbraw/zinc/64/50/85/1104645085.db2.gz XLNZJVVUDXUZGY-UHFFFAOYSA-N 2 1 309.457 3.128 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648445 1104646137 /nfs/dbraw/zinc/64/61/37/1104646137.db2.gz YTUODXJKMLKGIY-IJEWVQPXSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648445 1104646141 /nfs/dbraw/zinc/64/61/41/1104646141.db2.gz YTUODXJKMLKGIY-IJEWVQPXSA-N 2 1 308.491 3.364 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246650467 1104647434 /nfs/dbraw/zinc/64/74/34/1104647434.db2.gz INFCXZCGVIBQCW-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246650467 1104647440 /nfs/dbraw/zinc/64/74/40/1104647440.db2.gz INFCXZCGVIBQCW-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)CCCCCC[NH3+] ZINC001330794018 1104648227 /nfs/dbraw/zinc/64/82/27/1104648227.db2.gz NHUXIIVMXHRDGI-UHFFFAOYSA-N 2 1 324.538 3.393 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246652660 1104648754 /nfs/dbraw/zinc/64/87/54/1104648754.db2.gz GWZSASGGRXAUPJ-MANSERQUSA-N 3 1 307.526 3.150 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246652691 1104649135 /nfs/dbraw/zinc/64/91/35/1104649135.db2.gz HAYYKQRDZVKZDW-SQNIBIBYSA-N 3 1 307.526 3.007 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246652486 1104649206 /nfs/dbraw/zinc/64/92/06/1104649206.db2.gz PWLBWXBJLURCMX-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246652486 1104649211 /nfs/dbraw/zinc/64/92/11/1104649211.db2.gz PWLBWXBJLURCMX-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246652689 1104649341 /nfs/dbraw/zinc/64/93/41/1104649341.db2.gz HAYYKQRDZVKZDW-KURKYZTESA-N 3 1 307.526 3.007 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246652982 1104649640 /nfs/dbraw/zinc/64/96/40/1104649640.db2.gz BSBLRHSPGTXELM-QZWWFDLISA-N 2 1 324.390 3.406 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666234 1104654105 /nfs/dbraw/zinc/65/41/05/1104654105.db2.gz IGMGLPKPJKJOKZ-BFHYXJOUSA-N 2 1 310.894 3.362 20 0 DGADMP CCSC[C@@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246672696 1104657095 /nfs/dbraw/zinc/65/70/95/1104657095.db2.gz KOJVFVBDUVNVRR-KBAYOESNSA-N 2 1 304.503 3.350 20 0 DGADMP CCSC[C@@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246672696 1104657097 /nfs/dbraw/zinc/65/70/97/1104657097.db2.gz KOJVFVBDUVNVRR-KBAYOESNSA-N 2 1 304.503 3.350 20 0 DGADMP C1C[NH2+]C[C@H]([C@@H]2CCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246675977 1104657259 /nfs/dbraw/zinc/65/72/59/1104657259.db2.gz GFLOPYTTZZMFAM-QZTJIDSGSA-N 3 1 319.537 3.010 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CC2 ZINC001246676547 1104657291 /nfs/dbraw/zinc/65/72/91/1104657291.db2.gz CCEABZCURNXZKT-OKZBNKHCSA-N 2 1 316.464 3.395 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001246679289 1104658440 /nfs/dbraw/zinc/65/84/40/1104658440.db2.gz TUXOMIYVPTUOFL-UHOSZYNNSA-N 2 1 316.489 3.338 20 0 DGADMP C1C[NH2+]C[C@@H]([C@@H]2CCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)C1 ZINC001246679073 1104658656 /nfs/dbraw/zinc/65/86/56/1104658656.db2.gz RSBLSMUBNXOGNJ-WBYGSUFKSA-N 3 1 319.537 3.010 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246678442 1104658713 /nfs/dbraw/zinc/65/87/13/1104658713.db2.gz NNAICCHRPAQYAY-RCCFBDPRSA-N 2 1 324.509 3.210 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246678104 1104658755 /nfs/dbraw/zinc/65/87/55/1104658755.db2.gz NANXOIZVXGYIBL-IXDOHACOSA-N 2 1 302.437 3.005 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CS2 ZINC001246677700 1104659017 /nfs/dbraw/zinc/65/90/17/1104659017.db2.gz LJHNCHAPHOIHDY-BZSNNMDCSA-N 2 1 316.514 3.415 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+](C)CCC[NH3+])ccc2c1 ZINC001246680110 1104659889 /nfs/dbraw/zinc/65/98/89/1104659889.db2.gz HVNXIECCCAQJNZ-OAHLLOKOSA-N 2 1 300.446 3.450 20 0 DGADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246682007 1104660203 /nfs/dbraw/zinc/66/02/03/1104660203.db2.gz AWCCKGUEMMGULJ-SXLOBPIMSA-N 2 1 316.489 3.269 20 0 DGADMP C[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246694074 1104663949 /nfs/dbraw/zinc/66/39/49/1104663949.db2.gz UUVDVPSCHOJPQX-IPLXSBJHSA-N 2 1 315.505 3.110 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC[NH2+]1 ZINC001246744386 1104665291 /nfs/dbraw/zinc/66/52/91/1104665291.db2.gz MKKKIORBLAXWGP-DEPCRRQNSA-N 2 1 320.521 3.290 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246780151 1104670227 /nfs/dbraw/zinc/67/02/27/1104670227.db2.gz AKUCUMJFPGRHAE-SLFFLAALSA-N 2 1 316.489 3.241 20 0 DGADMP COC(=O)CC[N@@H+](C1CCCC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246780237 1104670529 /nfs/dbraw/zinc/67/05/29/1104670529.db2.gz BHNCOFPUGJGZEZ-KRWDZBQOSA-N 2 1 322.493 3.249 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)cc1 ZINC001246781232 1104671091 /nfs/dbraw/zinc/67/10/91/1104671091.db2.gz BXSXITYTVPEPLK-IBGZPJMESA-N 2 1 314.473 3.452 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+](C3C[C@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246783275 1104671850 /nfs/dbraw/zinc/67/18/50/1104671850.db2.gz SPFCTHPNLMBQGV-YZVOILCLSA-N 2 1 318.461 3.067 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246782213 1104672269 /nfs/dbraw/zinc/67/22/69/1104672269.db2.gz QHZSNOPNXFTIKP-UHFFFAOYSA-N 3 1 321.553 3.351 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246782598 1104672480 /nfs/dbraw/zinc/67/24/80/1104672480.db2.gz RACGBGJTPSTOHZ-MSOLQXFVSA-N 2 1 314.473 3.370 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246781626 1104672526 /nfs/dbraw/zinc/67/25/26/1104672526.db2.gz GEWPTIWXCXQVIO-ZHALLVOQSA-N 2 1 302.462 3.369 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC1 ZINC001246784798 1104673714 /nfs/dbraw/zinc/67/37/14/1104673714.db2.gz GYBAWZHJJWWIIY-TVPLGVNVSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246784254 1104673799 /nfs/dbraw/zinc/67/37/99/1104673799.db2.gz WIBMVBFQHCYTEU-QPIRBTGLSA-N 2 1 314.473 3.370 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246786990 1104674870 /nfs/dbraw/zinc/67/48/70/1104674870.db2.gz OQXAXKJSXJZHOZ-SYYJFZTOSA-N 2 1 314.473 3.452 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246787552 1104674928 /nfs/dbraw/zinc/67/49/28/1104674928.db2.gz RJMMCGRADHBPRU-AVAKVYKDSA-N 2 1 318.436 3.201 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246794941 1104679735 /nfs/dbraw/zinc/67/97/35/1104679735.db2.gz GNTCKMRJHOMEFD-GPMSIDNRSA-N 2 1 317.477 3.234 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246798264 1104680610 /nfs/dbraw/zinc/68/06/10/1104680610.db2.gz NQKZIADYUFWNOT-QGTPRVQTSA-N 2 1 322.880 3.462 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001246796935 1104680710 /nfs/dbraw/zinc/68/07/10/1104680710.db2.gz OMRCLDCDVFUPPP-MRXNPFEDSA-N 2 1 304.478 3.338 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246799420 1104680936 /nfs/dbraw/zinc/68/09/36/1104680936.db2.gz ULCREYMOELVIEN-MRXNPFEDSA-N 2 1 308.416 3.144 20 0 DGADMP Cc1cncc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001275223725 1104682499 /nfs/dbraw/zinc/68/24/99/1104682499.db2.gz XESLLJHTFYGQML-UHFFFAOYSA-N 2 1 314.477 3.016 20 0 DGADMP CCc1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)on1 ZINC001275228780 1104683221 /nfs/dbraw/zinc/68/32/21/1104683221.db2.gz KDVPDYRKVWUSHA-UHFFFAOYSA-N 2 1 317.477 3.468 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246810195 1104685526 /nfs/dbraw/zinc/68/55/26/1104685526.db2.gz ZOIRZLHPDLNYGX-INIZCTEOSA-N 2 1 322.493 3.105 20 0 DGADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC001275235748 1104685680 /nfs/dbraw/zinc/68/56/80/1104685680.db2.gz FQWKAHUOELYMJS-UHFFFAOYSA-N 2 1 317.458 3.143 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246815101 1104688901 /nfs/dbraw/zinc/68/89/01/1104688901.db2.gz WADYXUUBZNBUGQ-RISCZKNCSA-N 2 1 313.272 3.392 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCNC[C@@H]1Cc1ccccc1 ZINC001246819100 1104690290 /nfs/dbraw/zinc/69/02/90/1104690290.db2.gz QTQBRVBRYRHPAD-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001246819100 1104690293 /nfs/dbraw/zinc/69/02/93/1104690293.db2.gz QTQBRVBRYRHPAD-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP C[N@H+](CCC(=O)c1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246819643 1104690314 /nfs/dbraw/zinc/69/03/14/1104690314.db2.gz DMIRVBMPKVCQLH-FUHWJXTLSA-N 2 1 302.462 3.358 20 0 DGADMP C[N@@H+](CCC(=O)c1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246819643 1104690315 /nfs/dbraw/zinc/69/03/15/1104690315.db2.gz DMIRVBMPKVCQLH-FUHWJXTLSA-N 2 1 302.462 3.358 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820559 1104691328 /nfs/dbraw/zinc/69/13/28/1104691328.db2.gz HWYMOYHHHATFRQ-BJJXKVORSA-N 2 1 323.278 3.379 20 0 DGADMP COc1cccc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1OC ZINC001275255228 1104692517 /nfs/dbraw/zinc/69/25/17/1104692517.db2.gz GOMCWTPHLKULFX-LJQANCHMSA-N 2 1 318.461 3.012 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835629 1104697747 /nfs/dbraw/zinc/69/77/47/1104697747.db2.gz KPONLSLWPSSQJS-FQEVSTJZSA-N 2 1 318.505 3.488 20 0 DGADMP COCCC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246835293 1104697966 /nfs/dbraw/zinc/69/79/66/1104697966.db2.gz IJSUXNRGYQBLBG-HNNXBMFYSA-N 2 1 324.896 3.362 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246841850 1104700600 /nfs/dbraw/zinc/70/06/00/1104700600.db2.gz PCGZIXAPGZWQQO-QZTJIDSGSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246842425 1104702987 /nfs/dbraw/zinc/70/29/87/1104702987.db2.gz RWMXZJDUNKIRQW-CEXWTWQISA-N 2 1 302.462 3.198 20 0 DGADMP CC[N@@H+](CCN1CCCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246847256 1104704736 /nfs/dbraw/zinc/70/47/36/1104704736.db2.gz RFWLTNRDMGJXNC-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP Cc1ccccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001275281164 1104704853 /nfs/dbraw/zinc/70/48/53/1104704853.db2.gz PUWGEBKSRQGICK-UXHICEINSA-N 2 1 315.505 3.081 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1C ZINC001275281257 1104705311 /nfs/dbraw/zinc/70/53/11/1104705311.db2.gz UBUBKGXPRXLOJH-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1C ZINC001275281257 1104705318 /nfs/dbraw/zinc/70/53/18/1104705318.db2.gz UBUBKGXPRXLOJH-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1C ZINC001275281257 1104705324 /nfs/dbraw/zinc/70/53/24/1104705324.db2.gz UBUBKGXPRXLOJH-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850467 1104707674 /nfs/dbraw/zinc/70/76/74/1104707674.db2.gz KKGQPMTXJZCVTP-VJANTYMQSA-N 2 1 321.553 3.492 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850467 1104707682 /nfs/dbraw/zinc/70/76/82/1104707682.db2.gz KKGQPMTXJZCVTP-VJANTYMQSA-N 3 1 321.553 3.492 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850467 1104707687 /nfs/dbraw/zinc/70/76/87/1104707687.db2.gz KKGQPMTXJZCVTP-VJANTYMQSA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850467 1104707691 /nfs/dbraw/zinc/70/76/91/1104707691.db2.gz KKGQPMTXJZCVTP-VJANTYMQSA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246850467 1104707699 /nfs/dbraw/zinc/70/76/99/1104707699.db2.gz KKGQPMTXJZCVTP-VJANTYMQSA-N 3 1 321.553 3.492 20 0 DGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246853952 1104708431 /nfs/dbraw/zinc/70/84/31/1104708431.db2.gz AKOAZGXSZJXYCD-ZHALLVOQSA-N 2 1 324.509 3.066 20 0 DGADMP CCN([C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246855121 1104708916 /nfs/dbraw/zinc/70/89/16/1104708916.db2.gz TXOWEKPPWSIKMS-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C1C[C@@H](C2CCCCC2)[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001246866469 1104712598 /nfs/dbraw/zinc/71/25/98/1104712598.db2.gz ULOULQNXNXFGIX-XBMUEBEBSA-N 2 1 306.494 3.332 20 0 DGADMP C1C[C@H](C2CCCCC2)[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001246866468 1104713330 /nfs/dbraw/zinc/71/33/30/1104713330.db2.gz ULOULQNXNXFGIX-JLAWEPINSA-N 2 1 306.494 3.332 20 0 DGADMP Fc1ccc(CC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c(F)c1 ZINC001246872005 1104716519 /nfs/dbraw/zinc/71/65/19/1104716519.db2.gz TVYHXAOOZSNWQG-QGZVFWFLSA-N 2 1 308.416 3.361 20 0 DGADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246875410 1104716659 /nfs/dbraw/zinc/71/66/59/1104716659.db2.gz VKEVEUGCONBGPI-MOPGFXCFSA-N 2 1 309.542 3.480 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)cc1 ZINC001246878690 1104718345 /nfs/dbraw/zinc/71/83/45/1104718345.db2.gz AFMPEQQTTFDRDH-NUJGCVRESA-N 2 1 316.489 3.479 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246881259 1104720074 /nfs/dbraw/zinc/72/00/74/1104720074.db2.gz LWQGDXIPZIOBCM-OAGGEKHMSA-N 2 1 324.509 3.492 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246884059 1104721518 /nfs/dbraw/zinc/72/15/18/1104721518.db2.gz SEQQJIXMLFPREZ-MSOLQXFVSA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246884062 1104722115 /nfs/dbraw/zinc/72/21/15/1104722115.db2.gz SEQQJIXMLFPREZ-ZWKOTPCHSA-N 2 1 316.489 3.480 20 0 DGADMP CCN(CC[NH2+]C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246889872 1104724550 /nfs/dbraw/zinc/72/45/50/1104724550.db2.gz GQSBNFZKPBEOSX-ACDBMABISA-N 2 1 315.505 3.113 20 0 DGADMP c1csc([C@H]2CNCC[N@@H+]2C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246887549 1104725048 /nfs/dbraw/zinc/72/50/48/1104725048.db2.gz WQALPDNKQMEMST-UPTPFMHGSA-N 2 1 319.518 3.007 20 0 DGADMP c1csc([C@H]2C[NH2+]CCN2C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246887549 1104725053 /nfs/dbraw/zinc/72/50/53/1104725053.db2.gz WQALPDNKQMEMST-UPTPFMHGSA-N 2 1 319.518 3.007 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001246899190 1104726869 /nfs/dbraw/zinc/72/68/69/1104726869.db2.gz XCJGOTBTQCYYEX-SQGPQFPESA-N 2 1 315.505 3.142 20 0 DGADMP C[NH2+]CC[C@H](C)[N@@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001246899190 1104726872 /nfs/dbraw/zinc/72/68/72/1104726872.db2.gz XCJGOTBTQCYYEX-SQGPQFPESA-N 2 1 315.505 3.142 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246902400 1104729054 /nfs/dbraw/zinc/72/90/54/1104729054.db2.gz KKPZSIKUFBOLDI-ULQDDVLXSA-N 2 1 324.509 3.493 20 0 DGADMP CCOc1ccc(C)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275345480 1104730554 /nfs/dbraw/zinc/73/05/54/1104730554.db2.gz BOQMUSGWWZULIU-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275345480 1104730558 /nfs/dbraw/zinc/73/05/58/1104730558.db2.gz BOQMUSGWWZULIU-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275345480 1104730565 /nfs/dbraw/zinc/73/05/65/1104730565.db2.gz BOQMUSGWWZULIU-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001275345480 1104730573 /nfs/dbraw/zinc/73/05/73/1104730573.db2.gz BOQMUSGWWZULIU-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001246913433 1104735850 /nfs/dbraw/zinc/73/58/50/1104735850.db2.gz XCRAWGWFKMWIGX-IHRRRGAJSA-N 2 1 322.880 3.408 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001246913436 1104736157 /nfs/dbraw/zinc/73/61/57/1104736157.db2.gz XCRAWGWFKMWIGX-MGPQQGTHSA-N 2 1 322.880 3.408 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246918074 1104736482 /nfs/dbraw/zinc/73/64/82/1104736482.db2.gz UPZCSDPFGVFBKO-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246925375 1104739577 /nfs/dbraw/zinc/73/95/77/1104739577.db2.gz XHZDOIDZJMBSIX-SFHVURJKSA-N 2 1 316.489 3.482 20 0 DGADMP COCC[N@H+](C1CCC(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246926669 1104740214 /nfs/dbraw/zinc/74/02/14/1104740214.db2.gz DKCVPIYYFDTXDT-SOAGJPPSSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@@H+](C1CCC(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246926669 1104740216 /nfs/dbraw/zinc/74/02/16/1104740216.db2.gz DKCVPIYYFDTXDT-SOAGJPPSSA-N 2 1 316.489 3.413 20 0 DGADMP C[NH2+]C[C@H]1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246936550 1104744383 /nfs/dbraw/zinc/74/43/83/1104744383.db2.gz FCCPHUHBOOGMTA-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]C[C@H]1CCCN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246939875 1104745400 /nfs/dbraw/zinc/74/54/00/1104745400.db2.gz SVYGMBVANVZZNT-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246940147 1104745695 /nfs/dbraw/zinc/74/56/95/1104745695.db2.gz DFFRKPVWEKZVPR-ZWKOTPCHSA-N 2 1 314.473 3.407 20 0 DGADMP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246942895 1104746085 /nfs/dbraw/zinc/74/60/85/1104746085.db2.gz RIJRYESPXCMRDW-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246945107 1104747153 /nfs/dbraw/zinc/74/71/53/1104747153.db2.gz FMUHSSGBCXKOKL-DOTOQJQBSA-N 2 1 324.509 3.208 20 0 DGADMP CCOCC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246948689 1104747906 /nfs/dbraw/zinc/74/79/06/1104747906.db2.gz FIDZWZJPQSIMNC-OAHLLOKOSA-N 2 1 324.896 3.362 20 0 DGADMP C1CC2(C[C@@H]1[N@H+]1CCOC[C@@H]1C1CCCCC1)CC[NH2+]CC2 ZINC001246947377 1104748728 /nfs/dbraw/zinc/74/87/28/1104748728.db2.gz XHFAZHTYELYSKL-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP CCOCC[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246949777 1104749340 /nfs/dbraw/zinc/74/93/40/1104749340.db2.gz LLBQEHYTTHPGGG-QUCCMNQESA-N 2 1 316.489 3.413 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246951179 1104749794 /nfs/dbraw/zinc/74/97/94/1104749794.db2.gz XZUQWWFRJRTMSP-BWTSREIZSA-N 2 1 313.489 3.099 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246950465 1104749872 /nfs/dbraw/zinc/74/98/72/1104749872.db2.gz PTPZMPKNHJFHIU-VQFNDLOPSA-N 3 1 309.542 3.396 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246950465 1104749878 /nfs/dbraw/zinc/74/98/78/1104749878.db2.gz PTPZMPKNHJFHIU-VQFNDLOPSA-N 3 1 309.542 3.396 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246964401 1104753931 /nfs/dbraw/zinc/75/39/31/1104753931.db2.gz KQDNIVSGBWLUBU-CCWDJLKJSA-N 2 1 302.437 3.487 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246971381 1104755391 /nfs/dbraw/zinc/75/53/91/1104755391.db2.gz AYOFRUXMWUXNGH-DSRCVFDASA-N 2 1 323.278 3.049 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970679 1104755466 /nfs/dbraw/zinc/75/54/66/1104755466.db2.gz BIISBNDYMCSLES-DYVFJYSZSA-N 2 1 320.427 3.286 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246969874 1104755488 /nfs/dbraw/zinc/75/54/88/1104755488.db2.gz XSGZLIGYQGPZAG-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@@H](C)NC2)c1 ZINC001246974711 1104758810 /nfs/dbraw/zinc/75/88/10/1104758810.db2.gz RJJGMELGCZKVIJ-AFYVEPGGSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@@H](C)NC2)c1 ZINC001246974711 1104758812 /nfs/dbraw/zinc/75/88/12/1104758812.db2.gz RJJGMELGCZKVIJ-AFYVEPGGSA-N 2 1 315.505 3.207 20 0 DGADMP CN(C)CC[N@H+](C1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC001246986565 1104763268 /nfs/dbraw/zinc/76/32/68/1104763268.db2.gz LNYHBCKYUCWVCL-UHFFFAOYSA-N 2 1 309.542 3.207 20 0 DGADMP CN(C)CC[N@@H+](C1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC001246986565 1104763273 /nfs/dbraw/zinc/76/32/73/1104763273.db2.gz LNYHBCKYUCWVCL-UHFFFAOYSA-N 2 1 309.542 3.207 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@@H]1C ZINC001246991710 1104766020 /nfs/dbraw/zinc/76/60/20/1104766020.db2.gz KSXSDTCGZCSWSF-MWDXBVQZSA-N 2 1 324.509 3.064 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@H]1C ZINC001246991714 1104766440 /nfs/dbraw/zinc/76/64/40/1104766440.db2.gz KSXSDTCGZCSWSF-YYIAUSFCSA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246994399 1104767489 /nfs/dbraw/zinc/76/74/89/1104767489.db2.gz PTEHZICPBMCUGC-LBTNJELSSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246994396 1104767766 /nfs/dbraw/zinc/76/77/66/1104767766.db2.gz PTEHZICPBMCUGC-DACLVMHWSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246997443 1104768871 /nfs/dbraw/zinc/76/88/71/1104768871.db2.gz VPGYJBKAXQYFSW-IRXDYDNUSA-N 2 1 316.445 3.141 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996974 1104768927 /nfs/dbraw/zinc/76/89/27/1104768927.db2.gz JEOBCQGQFWBFGQ-YZVOILCLSA-N 2 1 302.437 3.246 20 0 DGADMP Brc1ccc(C[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC001246997707 1104770239 /nfs/dbraw/zinc/77/02/39/1104770239.db2.gz AWSMLDHGVXOMKG-INIZCTEOSA-N 2 1 323.278 3.208 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC1 ZINC001246998280 1104770383 /nfs/dbraw/zinc/77/03/83/1104770383.db2.gz CFSIATKWDILASK-TXVKYFBMSA-N 2 1 319.880 3.454 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001247001228 1104771227 /nfs/dbraw/zinc/77/12/27/1104771227.db2.gz ZDIGYALPFMARPL-HNAYVOBHSA-N 2 1 302.437 3.248 20 0 DGADMP CC[C@@H]1C[C@@H](N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000621 1104771643 /nfs/dbraw/zinc/77/16/43/1104771643.db2.gz FWBOTQWCSSXHBS-IPELMVKDSA-N 2 1 319.468 3.035 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015828 1104779749 /nfs/dbraw/zinc/77/97/49/1104779749.db2.gz QHVSQEMUVRUQKN-IFIJOSMWSA-N 2 1 310.844 3.484 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015828 1104779751 /nfs/dbraw/zinc/77/97/51/1104779751.db2.gz QHVSQEMUVRUQKN-IFIJOSMWSA-N 2 1 310.844 3.484 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1-n1cccc1)C2 ZINC001275602049 1104829324 /nfs/dbraw/zinc/82/93/24/1104829324.db2.gz RRUYXJHDIUJQPO-HXUWFJFHSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1-n1cccc1)C2 ZINC001275602049 1104829331 /nfs/dbraw/zinc/82/93/31/1104829331.db2.gz RRUYXJHDIUJQPO-HXUWFJFHSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001275602049 1104829341 /nfs/dbraw/zinc/82/93/41/1104829341.db2.gz RRUYXJHDIUJQPO-HXUWFJFHSA-N 2 1 309.457 3.395 20 0 DGADMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001247507187 1104914887 /nfs/dbraw/zinc/91/48/87/1104914887.db2.gz JDUQAOWGNWNRAN-INIZCTEOSA-N 2 1 308.385 3.142 20 0 DGADMP [NH3+]CCC[C@@H]([NH3+])c1nc(-c2ccccc2Oc2ccccc2)no1 ZINC001247506347 1104915109 /nfs/dbraw/zinc/91/51/09/1104915109.db2.gz BPRNWJHSILMBDU-OAHLLOKOSA-N 2 1 324.384 3.268 20 0 DGADMP CC(C)(C)Oc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247694062 1104957681 /nfs/dbraw/zinc/95/76/81/1104957681.db2.gz XAOGLWKWHMXAFH-AWEZNQCLSA-N 2 1 318.421 3.043 20 0 DGADMP CCCCc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247693263 1104957794 /nfs/dbraw/zinc/95/77/94/1104957794.db2.gz NELJNINWXIGIDP-HNNXBMFYSA-N 2 1 302.422 3.208 20 0 DGADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC001275943116 1104964526 /nfs/dbraw/zinc/96/45/26/1104964526.db2.gz AJPVUVHIROEGMS-UHFFFAOYSA-N 2 1 317.458 3.143 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c2ccccc21 ZINC001275959798 1104968233 /nfs/dbraw/zinc/96/82/33/1104968233.db2.gz HIKAIKAHUNNVAK-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c2ccccc21 ZINC001275959798 1104968238 /nfs/dbraw/zinc/96/82/38/1104968238.db2.gz HIKAIKAHUNNVAK-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c2ccccc21 ZINC001275959798 1104968246 /nfs/dbraw/zinc/96/82/46/1104968246.db2.gz HIKAIKAHUNNVAK-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCOCc1ccccc1)C2 ZINC001275971917 1104974177 /nfs/dbraw/zinc/97/41/77/1104974177.db2.gz ZNRAFVKIHQWTGS-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCOCc1ccccc1)C2 ZINC001275971917 1104974183 /nfs/dbraw/zinc/97/41/83/1104974183.db2.gz ZNRAFVKIHQWTGS-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCOCc1ccccc1)C2 ZINC001275971917 1104974191 /nfs/dbraw/zinc/97/41/91/1104974191.db2.gz ZNRAFVKIHQWTGS-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276078119 1105009124 /nfs/dbraw/zinc/00/91/24/1105009124.db2.gz JRHWOWCJNBRSPW-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP OCc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)o1 ZINC001276098354 1105016125 /nfs/dbraw/zinc/01/61/25/1105016125.db2.gz XMAWAJVTFRAYHG-UHFFFAOYSA-N 2 1 318.461 3.002 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001276129383 1105025796 /nfs/dbraw/zinc/02/57/96/1105025796.db2.gz QSVGLFCYVACDRL-OALUTQOASA-N 2 1 310.445 3.154 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001276129383 1105025803 /nfs/dbraw/zinc/02/58/03/1105025803.db2.gz QSVGLFCYVACDRL-OALUTQOASA-N 2 1 310.445 3.154 20 0 DGADMP CCCCc1nc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c[nH]1 ZINC001276216206 1105051654 /nfs/dbraw/zinc/05/16/54/1105051654.db2.gz ZBJPWKUWSGLFKG-GOSISDBHSA-N 2 1 304.482 3.060 20 0 DGADMP CCCCc1ncc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)[nH]1 ZINC001276216206 1105051661 /nfs/dbraw/zinc/05/16/61/1105051661.db2.gz ZBJPWKUWSGLFKG-GOSISDBHSA-N 2 1 304.482 3.060 20 0 DGADMP Cc1c(F)cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1F ZINC001248195385 1105065535 /nfs/dbraw/zinc/06/55/35/1105065535.db2.gz XWWOWUIBRSDABF-AWEZNQCLSA-N 2 1 324.375 3.055 20 0 DGADMP Cn1nccc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276281888 1105075884 /nfs/dbraw/zinc/07/58/84/1105075884.db2.gz YBQKZBOLCMJZEJ-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP COc1ncc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1Cl ZINC001276295358 1105081869 /nfs/dbraw/zinc/08/18/69/1105081869.db2.gz YHPOHNYICPXBOR-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP C[NH+]1CCC2(CCN(c3cc[nH+]cc3Br)CC2)CC1 ZINC000691890713 1105123596 /nfs/dbraw/zinc/12/35/96/1105123596.db2.gz DDOBESJFYOYSAD-UHFFFAOYSA-N 2 1 324.266 3.156 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc2)n1 ZINC001248766705 1105158193 /nfs/dbraw/zinc/15/81/93/1105158193.db2.gz CKYQMVDNULFPNE-UHFFFAOYSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c2c1ccnc2Cl ZINC001248837293 1105175584 /nfs/dbraw/zinc/17/55/84/1105175584.db2.gz XDBDEULYBRNQOV-UHFFFAOYSA-N 2 1 320.868 3.144 20 0 DGADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c2c1ccnc2Cl ZINC001248837293 1105175588 /nfs/dbraw/zinc/17/55/88/1105175588.db2.gz XDBDEULYBRNQOV-UHFFFAOYSA-N 2 1 320.868 3.144 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)cc1Cl ZINC001248895156 1105189031 /nfs/dbraw/zinc/18/90/31/1105189031.db2.gz AQFQYFGZITVDPB-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP CCCCc1ccc(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)cc1 ZINC001249327788 1105269023 /nfs/dbraw/zinc/26/90/23/1105269023.db2.gz LWLIRDIWPKEDSC-INIZCTEOSA-N 2 1 314.433 3.079 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(SC)c(OC)c1 ZINC001249378738 1105276937 /nfs/dbraw/zinc/27/69/37/1105276937.db2.gz VNEPNARMDPFRBZ-UHFFFAOYSA-N 2 1 305.447 3.136 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(F)cc4cc[nH]c43)C[C@@H]2C1 ZINC001249525975 1105306384 /nfs/dbraw/zinc/30/63/84/1105306384.db2.gz JWOJOKVCXXMLDZ-IYBDPMFKSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(F)cc4cc[nH]c43)C[C@@H]2C1 ZINC001249525975 1105306391 /nfs/dbraw/zinc/30/63/91/1105306391.db2.gz JWOJOKVCXXMLDZ-IYBDPMFKSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(F)cc4cc[nH]c43)C[C@@H]2C1 ZINC001249525975 1105306396 /nfs/dbraw/zinc/30/63/96/1105306396.db2.gz JWOJOKVCXXMLDZ-IYBDPMFKSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(F)cc4cc[nH]c43)C[C@@H]2C1 ZINC001249525975 1105306402 /nfs/dbraw/zinc/30/64/02/1105306402.db2.gz JWOJOKVCXXMLDZ-IYBDPMFKSA-N 2 1 301.409 3.081 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001252089603 1105736068 /nfs/dbraw/zinc/73/60/68/1105736068.db2.gz CYHVKOUXXMSZSZ-GOSISDBHSA-N 2 1 320.477 3.119 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001252106824 1105740981 /nfs/dbraw/zinc/74/09/81/1105740981.db2.gz CAWNZKSFNRNDIS-VNTMZGSJSA-N 2 1 316.489 3.038 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001252780924 1105829508 /nfs/dbraw/zinc/82/95/08/1105829508.db2.gz RBRUOOURNWQGIO-INIZCTEOSA-N 2 1 322.518 3.197 20 0 DGADMP CCC[C@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001252784315 1105829874 /nfs/dbraw/zinc/82/98/74/1105829874.db2.gz WPTWFZLOPVXNOC-KNTRFNDTSA-N 2 1 316.489 3.258 20 0 DGADMP CCC[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001252784315 1105829879 /nfs/dbraw/zinc/82/98/79/1105829879.db2.gz WPTWFZLOPVXNOC-KNTRFNDTSA-N 2 1 316.489 3.258 20 0 DGADMP CCC[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001252784315 1105829885 /nfs/dbraw/zinc/82/98/85/1105829885.db2.gz WPTWFZLOPVXNOC-KNTRFNDTSA-N 2 1 316.489 3.258 20 0 DGADMP O[C@@]1(CNc2cc[nH+]c(C3CC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252921216 1105855414 /nfs/dbraw/zinc/85/54/14/1105855414.db2.gz PANRDNQSXGQBFV-HXUWFJFHSA-N 2 1 323.440 3.008 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@](C)(O)c1ccccc1 ZINC001253103289 1105888481 /nfs/dbraw/zinc/88/84/81/1105888481.db2.gz COZIUXRMLOKNQT-XUVXKRRUSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC001253103289 1105888486 /nfs/dbraw/zinc/88/84/86/1105888486.db2.gz COZIUXRMLOKNQT-XUVXKRRUSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@](C)(O)c1ccccc1 ZINC001253103289 1105888493 /nfs/dbraw/zinc/88/84/93/1105888493.db2.gz COZIUXRMLOKNQT-XUVXKRRUSA-N 2 1 316.489 3.233 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC001253181077 1105900188 /nfs/dbraw/zinc/90/01/88/1105900188.db2.gz PPMGERBQOQAGSR-SFHVURJKSA-N 2 1 324.896 3.222 20 0 DGADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253400510 1105935113 /nfs/dbraw/zinc/93/51/13/1105935113.db2.gz DBAMCOMSSHTOHC-KRWDZBQOSA-N 2 1 319.493 3.146 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC001253407218 1105936157 /nfs/dbraw/zinc/93/61/57/1105936157.db2.gz IHENUVPEUGGXDE-IRXDYDNUSA-N 2 1 308.441 3.006 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccc(F)cc1 ZINC001253410838 1105936936 /nfs/dbraw/zinc/93/69/36/1105936936.db2.gz SZZYIHKKPYTTGY-ROUUACIJSA-N 2 1 322.468 3.396 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001253521152 1105949329 /nfs/dbraw/zinc/94/93/29/1105949329.db2.gz AKOLKZWVZMQASC-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CC(C)[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001253769276 1105983301 /nfs/dbraw/zinc/98/33/01/1105983301.db2.gz YPKLEAXKGFUEFL-GOSISDBHSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001253769276 1105983303 /nfs/dbraw/zinc/98/33/03/1105983303.db2.gz YPKLEAXKGFUEFL-GOSISDBHSA-N 2 1 324.896 3.253 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC001254111849 1106018688 /nfs/dbraw/zinc/01/86/88/1106018688.db2.gz YMSPSERAWZQWGO-CZUORRHYSA-N 2 1 310.869 3.211 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001254387182 1106064359 /nfs/dbraw/zinc/06/43/59/1106064359.db2.gz GCJNIPFWEUOBQO-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001254387182 1106064361 /nfs/dbraw/zinc/06/43/61/1106064361.db2.gz GCJNIPFWEUOBQO-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001254387182 1106064368 /nfs/dbraw/zinc/06/43/68/1106064368.db2.gz GCJNIPFWEUOBQO-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCCc2cncc(C(F)(F)F)c2)CC1 ZINC001254497429 1106081618 /nfs/dbraw/zinc/08/16/18/1106081618.db2.gz JEQQIAOGGMGFHG-HNNXBMFYSA-N 2 1 315.383 3.107 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1 ZINC001254506818 1106084468 /nfs/dbraw/zinc/08/44/68/1106084468.db2.gz AVQOCVQZHHECTA-AWEZNQCLSA-N 2 1 318.358 3.461 20 0 DGADMP COc1cccc(CC(C)(C)C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254511116 1106086575 /nfs/dbraw/zinc/08/65/75/1106086575.db2.gz VZXIIXATOAQTOD-KRWDZBQOSA-N 2 1 304.478 3.338 20 0 DGADMP COCCC1([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC(F)(F)CC1 ZINC001254511713 1106087613 /nfs/dbraw/zinc/08/76/13/1106087613.db2.gz DDJMKMQOUOVYSB-CQSZACIVSA-N 2 1 304.425 3.045 20 0 DGADMP Cc1ccc(OC2CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254522438 1106090417 /nfs/dbraw/zinc/09/04/17/1106090417.db2.gz GCYGGERSRGGCLX-KRWDZBQOSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001254524641 1106092297 /nfs/dbraw/zinc/09/22/97/1106092297.db2.gz YFGVHDJBUKRDBO-GOSISDBHSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001254527522 1106094588 /nfs/dbraw/zinc/09/45/88/1106094588.db2.gz ZATHVIHXWNXLRX-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001254527522 1106094594 /nfs/dbraw/zinc/09/45/94/1106094594.db2.gz ZATHVIHXWNXLRX-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001254527522 1106094599 /nfs/dbraw/zinc/09/45/99/1106094599.db2.gz ZATHVIHXWNXLRX-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254530029 1106094803 /nfs/dbraw/zinc/09/48/03/1106094803.db2.gz TWZCVSBQJHSZIY-LJQANCHMSA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254529239 1106095005 /nfs/dbraw/zinc/09/50/05/1106095005.db2.gz FKIZJSVBJOZOIS-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254529239 1106095008 /nfs/dbraw/zinc/09/50/08/1106095008.db2.gz FKIZJSVBJOZOIS-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254529239 1106095017 /nfs/dbraw/zinc/09/50/17/1106095017.db2.gz FKIZJSVBJOZOIS-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254529239 1106095022 /nfs/dbraw/zinc/09/50/22/1106095022.db2.gz FKIZJSVBJOZOIS-WMZOPIPTSA-N 2 1 320.502 3.269 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254533620 1106096932 /nfs/dbraw/zinc/09/69/32/1106096932.db2.gz NTIBSYYPESECCZ-ZWKOTPCHSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254533620 1106096937 /nfs/dbraw/zinc/09/69/37/1106096937.db2.gz NTIBSYYPESECCZ-ZWKOTPCHSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254533620 1106096943 /nfs/dbraw/zinc/09/69/43/1106096943.db2.gz NTIBSYYPESECCZ-ZWKOTPCHSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254533617 1106097418 /nfs/dbraw/zinc/09/74/18/1106097418.db2.gz NTIBSYYPESECCZ-MSOLQXFVSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254533617 1106097423 /nfs/dbraw/zinc/09/74/23/1106097423.db2.gz NTIBSYYPESECCZ-MSOLQXFVSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254533617 1106097426 /nfs/dbraw/zinc/09/74/26/1106097426.db2.gz NTIBSYYPESECCZ-MSOLQXFVSA-N 2 1 316.445 3.094 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001254612823 1106113209 /nfs/dbraw/zinc/11/32/09/1106113209.db2.gz MKFFYVZXHWLXMW-GGPHIMKMSA-N 2 1 317.452 3.009 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC2CCN(CC2)C1 ZINC001254843068 1106146650 /nfs/dbraw/zinc/14/66/50/1106146650.db2.gz FABCDYPTRJNTKL-WDSOQIARSA-N 2 1 307.526 3.231 20 0 DGADMP C[C@@H]([NH3+])c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122403 1106183505 /nfs/dbraw/zinc/18/35/05/1106183505.db2.gz PQVMBJVQNSICIN-BGTYHANMSA-N 2 1 310.445 3.271 20 0 DGADMP CC(C)[C@H]1[NH2+]CCc2ncn([C@H]3CC[N@@H+](Cc4ccccc4)C3)c21 ZINC001255119620 1106184124 /nfs/dbraw/zinc/18/41/24/1106184124.db2.gz XIAOEPBDKICXEK-PKOBYXMFSA-N 2 1 324.472 3.173 20 0 DGADMP C[C@@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122405 1106184281 /nfs/dbraw/zinc/18/42/81/1106184281.db2.gz PQVMBJVQNSICIN-NRSFXHEJSA-N 2 1 310.445 3.271 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CSC2)C3)cc1 ZINC001255126090 1106184938 /nfs/dbraw/zinc/18/49/38/1106184938.db2.gz JEEGJKJUVWEBQF-BCDXTJNWSA-N 2 1 302.487 3.135 20 0 DGADMP OCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001255126633 1106185216 /nfs/dbraw/zinc/18/52/16/1106185216.db2.gz OSNHAHQWRVPOAT-LDLYASANSA-N 2 1 314.473 3.077 20 0 DGADMP CC1(C)C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001255125801 1106185226 /nfs/dbraw/zinc/18/52/26/1106185226.db2.gz FZGQLYFDIAHSFF-RDGPPVDQSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]([NH3+])c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255127739 1106185425 /nfs/dbraw/zinc/18/54/25/1106185425.db2.gz CDWCKFYKYWPTKP-NRSFXHEJSA-N 2 1 310.445 3.271 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136479 1106187952 /nfs/dbraw/zinc/18/79/52/1106187952.db2.gz LJXYIVPTEXGJEU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136479 1106187957 /nfs/dbraw/zinc/18/79/57/1106187957.db2.gz LJXYIVPTEXGJEU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136479 1106187960 /nfs/dbraw/zinc/18/79/60/1106187960.db2.gz LJXYIVPTEXGJEU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136479 1106187967 /nfs/dbraw/zinc/18/79/67/1106187967.db2.gz LJXYIVPTEXGJEU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255137695 1106188094 /nfs/dbraw/zinc/18/80/94/1106188094.db2.gz WBJMNIUXMBYQMX-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137695 1106188099 /nfs/dbraw/zinc/18/80/99/1106188099.db2.gz WBJMNIUXMBYQMX-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255137695 1106188105 /nfs/dbraw/zinc/18/81/05/1106188105.db2.gz WBJMNIUXMBYQMX-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001255137784 1106188410 /nfs/dbraw/zinc/18/84/10/1106188410.db2.gz XISVGIOZZVEWOC-RSPOEFSDSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001255137784 1106188414 /nfs/dbraw/zinc/18/84/14/1106188414.db2.gz XISVGIOZZVEWOC-RSPOEFSDSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001255137784 1106188416 /nfs/dbraw/zinc/18/84/16/1106188416.db2.gz XISVGIOZZVEWOC-RSPOEFSDSA-N 2 1 314.473 3.293 20 0 DGADMP CCN(CC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255138002 1106188468 /nfs/dbraw/zinc/18/84/68/1106188468.db2.gz ZNWDAJJGFQQLKJ-PMOLBWCYSA-N 2 1 315.505 3.066 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141493 1106189278 /nfs/dbraw/zinc/18/92/78/1106189278.db2.gz MZLSWEWRKUVZOR-LCWAXJCOSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141493 1106189281 /nfs/dbraw/zinc/18/92/81/1106189281.db2.gz MZLSWEWRKUVZOR-LCWAXJCOSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141493 1106189286 /nfs/dbraw/zinc/18/92/86/1106189286.db2.gz MZLSWEWRKUVZOR-LCWAXJCOSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141493 1106189289 /nfs/dbraw/zinc/18/92/89/1106189289.db2.gz MZLSWEWRKUVZOR-LCWAXJCOSA-N 2 1 312.457 3.045 20 0 DGADMP FC[C@H]1[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001255148266 1106190535 /nfs/dbraw/zinc/19/05/35/1106190535.db2.gz SUONHOBIVHPBEP-XAWFRAJHSA-N 2 1 314.448 3.329 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001255148266 1106190538 /nfs/dbraw/zinc/19/05/38/1106190538.db2.gz SUONHOBIVHPBEP-XAWFRAJHSA-N 2 1 314.448 3.329 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001255148266 1106190541 /nfs/dbraw/zinc/19/05/41/1106190541.db2.gz SUONHOBIVHPBEP-XAWFRAJHSA-N 2 1 314.448 3.329 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145783 1106190938 /nfs/dbraw/zinc/19/09/38/1106190938.db2.gz UVLWCFASLYZZAU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145783 1106190940 /nfs/dbraw/zinc/19/09/40/1106190940.db2.gz UVLWCFASLYZZAU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255145783 1106190945 /nfs/dbraw/zinc/19/09/45/1106190945.db2.gz UVLWCFASLYZZAU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255145783 1106190949 /nfs/dbraw/zinc/19/09/49/1106190949.db2.gz UVLWCFASLYZZAU-PKOFMYQESA-N 2 1 314.473 3.027 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151348 1106192019 /nfs/dbraw/zinc/19/20/19/1106192019.db2.gz XDZJEFNJIIECFA-XCLNPWKQSA-N 2 1 314.473 3.149 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255254601 1106211179 /nfs/dbraw/zinc/21/11/79/1106211179.db2.gz HBGXXBPILGUKKH-PBGYJZAOSA-N 2 1 322.493 3.233 20 0 DGADMP CCCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001255311478 1106221074 /nfs/dbraw/zinc/22/10/74/1106221074.db2.gz CDRHCQVAXGSOIT-QGZVFWFLSA-N 2 1 303.494 3.102 20 0 DGADMP CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001255324143 1106221640 /nfs/dbraw/zinc/22/16/40/1106221640.db2.gz AGSLFGSNLMSLFF-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001255324143 1106221643 /nfs/dbraw/zinc/22/16/43/1106221643.db2.gz AGSLFGSNLMSLFF-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350505 1106229578 /nfs/dbraw/zinc/22/95/78/1106229578.db2.gz UUHUIJCEGAIFGT-JOCBIADPSA-N 2 1 322.493 3.233 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381583 1106236594 /nfs/dbraw/zinc/23/65/94/1106236594.db2.gz QTYLITZJCZZNAR-RBUKOAKNSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385448 1106237697 /nfs/dbraw/zinc/23/76/97/1106237697.db2.gz HQQJFCLUBXCMIB-QFBILLFUSA-N 2 1 310.445 3.182 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385448 1106237703 /nfs/dbraw/zinc/23/77/03/1106237703.db2.gz HQQJFCLUBXCMIB-QFBILLFUSA-N 2 1 310.445 3.182 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255386305 1106237946 /nfs/dbraw/zinc/23/79/46/1106237946.db2.gz LWJDRLSBNBLUJX-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386305 1106237947 /nfs/dbraw/zinc/23/79/47/1106237947.db2.gz LWJDRLSBNBLUJX-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255386305 1106237948 /nfs/dbraw/zinc/23/79/48/1106237948.db2.gz LWJDRLSBNBLUJX-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386305 1106237949 /nfs/dbraw/zinc/23/79/49/1106237949.db2.gz LWJDRLSBNBLUJX-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP OCCCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384189 1106238046 /nfs/dbraw/zinc/23/80/46/1106238046.db2.gz VFDYLVSMQMFLCQ-IBGZPJMESA-N 2 1 304.478 3.183 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388006 1106239356 /nfs/dbraw/zinc/23/93/56/1106239356.db2.gz XESUSEXYLVVVFE-OALUTQOASA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393277 1106241015 /nfs/dbraw/zinc/24/10/15/1106241015.db2.gz NBCCLCZIIMPAIR-HKUYNNGSSA-N 2 1 324.472 3.052 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CC34CCOCC4)CC2)cc1 ZINC001255394161 1106241846 /nfs/dbraw/zinc/24/18/46/1106241846.db2.gz SNVSXGUZAWAYRY-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP C[N@@H+]([C@H]1CCCOC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409163 1106246039 /nfs/dbraw/zinc/24/60/39/1106246039.db2.gz GVVITLHPOQVNDY-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@H]1CCCOC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409163 1106246044 /nfs/dbraw/zinc/24/60/44/1106246044.db2.gz GVVITLHPOQVNDY-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@H]1CCCOC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409163 1106246048 /nfs/dbraw/zinc/24/60/48/1106246048.db2.gz GVVITLHPOQVNDY-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+]([C@@H]1CCCOC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409167 1106246269 /nfs/dbraw/zinc/24/62/69/1106246269.db2.gz GVVITLHPOQVNDY-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409167 1106246271 /nfs/dbraw/zinc/24/62/71/1106246271.db2.gz GVVITLHPOQVNDY-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409167 1106246273 /nfs/dbraw/zinc/24/62/73/1106246273.db2.gz GVVITLHPOQVNDY-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408262 1106246934 /nfs/dbraw/zinc/24/69/34/1106246934.db2.gz JGAIPFHXINHNAO-PMACEKPBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408262 1106246938 /nfs/dbraw/zinc/24/69/38/1106246938.db2.gz JGAIPFHXINHNAO-PMACEKPBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408262 1106246940 /nfs/dbraw/zinc/24/69/40/1106246940.db2.gz JGAIPFHXINHNAO-PMACEKPBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001255408262 1106246945 /nfs/dbraw/zinc/24/69/45/1106246945.db2.gz JGAIPFHXINHNAO-PMACEKPBSA-N 2 1 314.473 3.152 20 0 DGADMP COC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001255583557 1106273827 /nfs/dbraw/zinc/27/38/27/1106273827.db2.gz OWHSOHIXEDULEG-AWEZNQCLSA-N 2 1 310.869 3.271 20 0 DGADMP COC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001255583557 1106273832 /nfs/dbraw/zinc/27/38/32/1106273832.db2.gz OWHSOHIXEDULEG-AWEZNQCLSA-N 2 1 310.869 3.271 20 0 DGADMP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001255643365 1106283077 /nfs/dbraw/zinc/28/30/77/1106283077.db2.gz DOBKHXSNNUHBOA-ZDUSSCGKSA-N 2 1 300.368 3.363 20 0 DGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc(OC)c1 ZINC001255680442 1106293290 /nfs/dbraw/zinc/29/32/90/1106293290.db2.gz UQHPCTCETYWRLC-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC001255680442 1106293295 /nfs/dbraw/zinc/29/32/95/1106293295.db2.gz UQHPCTCETYWRLC-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC001255680442 1106293299 /nfs/dbraw/zinc/29/32/99/1106293299.db2.gz UQHPCTCETYWRLC-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP C[C@H](Cc1ccccc1F)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001255841637 1106326390 /nfs/dbraw/zinc/32/63/90/1106326390.db2.gz WIILBXWKXFMNTQ-OAHLLOKOSA-N 3 1 323.500 3.232 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC001255942921 1106345581 /nfs/dbraw/zinc/34/55/81/1106345581.db2.gz JDNMLXMOBIKQBS-HUUCEWRRSA-N 2 1 308.466 3.475 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC001255941235 1106345625 /nfs/dbraw/zinc/34/56/25/1106345625.db2.gz LVAUMRQAQSXURK-LSDHHAIUSA-N 2 1 306.450 3.229 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)cc(OC)c1 ZINC001255948211 1106347223 /nfs/dbraw/zinc/34/72/23/1106347223.db2.gz HEPJVTLMJVXUPN-CABCVRRESA-N 2 1 308.466 3.475 20 0 DGADMP CCOC(=O)C[C@H]([NH2+][C@@H](C)CC[NH+](CC)CC)c1ccccc1 ZINC001255948518 1106347573 /nfs/dbraw/zinc/34/75/73/1106347573.db2.gz MQRXUKGFGDJADP-WMZOPIPTSA-N 2 1 320.477 3.391 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001255955468 1106349715 /nfs/dbraw/zinc/34/97/15/1106349715.db2.gz UONNKYNJBXFCRF-HKUYNNGSSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC001255959927 1106349993 /nfs/dbraw/zinc/34/99/93/1106349993.db2.gz BSDLJVKUHDWZFL-SFHVURJKSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001255959927 1106349996 /nfs/dbraw/zinc/34/99/96/1106349996.db2.gz BSDLJVKUHDWZFL-SFHVURJKSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](CCC(=O)OC)Cc1ccccc1 ZINC001255961260 1106350821 /nfs/dbraw/zinc/35/08/21/1106350821.db2.gz LTOLNIOMARKZHC-KRWDZBQOSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC001255961260 1106350822 /nfs/dbraw/zinc/35/08/22/1106350822.db2.gz LTOLNIOMARKZHC-KRWDZBQOSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001255961988 1106351359 /nfs/dbraw/zinc/35/13/59/1106351359.db2.gz RNPDGWTUNJZJPR-HNNXBMFYSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001255961988 1106351360 /nfs/dbraw/zinc/35/13/60/1106351360.db2.gz RNPDGWTUNJZJPR-HNNXBMFYSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001255965737 1106351635 /nfs/dbraw/zinc/35/16/35/1106351635.db2.gz HWIWIBCQVOQAHZ-YLJYHZDGSA-N 2 1 315.505 3.022 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001255972316 1106352919 /nfs/dbraw/zinc/35/29/19/1106352919.db2.gz POJYVFYPVMNSEF-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001255972316 1106352922 /nfs/dbraw/zinc/35/29/22/1106352922.db2.gz POJYVFYPVMNSEF-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001255972492 1106353050 /nfs/dbraw/zinc/35/30/50/1106353050.db2.gz SHKHAMHDCKSUSV-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001255972492 1106353052 /nfs/dbraw/zinc/35/30/52/1106353052.db2.gz SHKHAMHDCKSUSV-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP COc1cccc(CCC[N@H+](C)C2CC[NH+](C3CC3)CC2)c1 ZINC001256080786 1106366580 /nfs/dbraw/zinc/36/65/80/1106366580.db2.gz BITSWUDLNJVBFY-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(CCC[N@@H+](C)C2CC[NH+](C3CC3)CC2)c1 ZINC001256080786 1106366584 /nfs/dbraw/zinc/36/65/84/1106366584.db2.gz BITSWUDLNJVBFY-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001256155398 1106380575 /nfs/dbraw/zinc/38/05/75/1106380575.db2.gz GNMRQVIVEOIWTR-TXPKVOOTSA-N 2 1 304.478 3.335 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1cccc(Br)c1 ZINC001256175965 1106384051 /nfs/dbraw/zinc/38/40/51/1106384051.db2.gz XSTOOFKHLDJRBZ-NSHDSACASA-N 2 1 322.250 3.259 20 0 DGADMP C[NH+]1CCC([N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001256205098 1106390649 /nfs/dbraw/zinc/39/06/49/1106390649.db2.gz PSFCJRBLJSHMPB-QUCCMNQESA-N 2 1 314.473 3.119 20 0 DGADMP C[NH+]1CCC([N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001256205098 1106390655 /nfs/dbraw/zinc/39/06/55/1106390655.db2.gz PSFCJRBLJSHMPB-QUCCMNQESA-N 2 1 314.473 3.119 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001256211396 1106391333 /nfs/dbraw/zinc/39/13/33/1106391333.db2.gz WCOMBJOYBVPAQP-QGZVFWFLSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001256211396 1106391339 /nfs/dbraw/zinc/39/13/39/1106391339.db2.gz WCOMBJOYBVPAQP-QGZVFWFLSA-N 2 1 302.462 3.044 20 0 DGADMP CCOC1CCC([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256434766 1106422202 /nfs/dbraw/zinc/42/22/02/1106422202.db2.gz RVKMGGGDGTYYCG-CSGOCMEYSA-N 2 1 324.509 3.085 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523035 1106432734 /nfs/dbraw/zinc/43/27/34/1106432734.db2.gz LUPHPZJBVJGVTN-YTQUADARSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523035 1106432735 /nfs/dbraw/zinc/43/27/35/1106432735.db2.gz LUPHPZJBVJGVTN-YTQUADARSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522175 1106432769 /nfs/dbraw/zinc/43/27/69/1106432769.db2.gz FABPUYINZCZKQL-WSTZPKSXSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520461 1106433607 /nfs/dbraw/zinc/43/36/07/1106433607.db2.gz OVEZXEFQJCJIMB-LMCOJAPRSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520461 1106433609 /nfs/dbraw/zinc/43/36/09/1106433609.db2.gz OVEZXEFQJCJIMB-LMCOJAPRSA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)N([C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C[NH3+] ZINC001256536607 1106436193 /nfs/dbraw/zinc/43/61/93/1106436193.db2.gz IHBAZFBXASQQQF-PKOBYXMFSA-N 2 1 317.521 3.487 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536968 1106436296 /nfs/dbraw/zinc/43/62/96/1106436296.db2.gz LUPHPZJBVJGVTN-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536968 1106436299 /nfs/dbraw/zinc/43/62/99/1106436299.db2.gz LUPHPZJBVJGVTN-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC[C@H](O)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536047 1106436356 /nfs/dbraw/zinc/43/63/56/1106436356.db2.gz BZFRXKOHRPNRGF-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC[C@H](O)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536047 1106436358 /nfs/dbraw/zinc/43/63/58/1106436358.db2.gz BZFRXKOHRPNRGF-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536047 1106436361 /nfs/dbraw/zinc/43/63/61/1106436361.db2.gz BZFRXKOHRPNRGF-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536047 1106436363 /nfs/dbraw/zinc/43/63/63/1106436363.db2.gz BZFRXKOHRPNRGF-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP CC[N@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536942 1106436435 /nfs/dbraw/zinc/43/64/35/1106436435.db2.gz KFACXKKMZUHTLP-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536942 1106436438 /nfs/dbraw/zinc/43/64/38/1106436438.db2.gz KFACXKKMZUHTLP-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536942 1106436439 /nfs/dbraw/zinc/43/64/39/1106436439.db2.gz KFACXKKMZUHTLP-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536124 1106436579 /nfs/dbraw/zinc/43/65/79/1106436579.db2.gz FKLKDOYROPQCIK-QFBILLFUSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536124 1106436581 /nfs/dbraw/zinc/43/65/81/1106436581.db2.gz FKLKDOYROPQCIK-QFBILLFUSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536124 1106436585 /nfs/dbraw/zinc/43/65/85/1106436585.db2.gz FKLKDOYROPQCIK-QFBILLFUSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536124 1106436588 /nfs/dbraw/zinc/43/65/88/1106436588.db2.gz FKLKDOYROPQCIK-QFBILLFUSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H](N[C@]2(C)CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536602 1106437047 /nfs/dbraw/zinc/43/70/47/1106437047.db2.gz KTYPUTRRBHUYCN-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@]2(C)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536602 1106437048 /nfs/dbraw/zinc/43/70/48/1106437048.db2.gz KTYPUTRRBHUYCN-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@]2(C)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536602 1106437051 /nfs/dbraw/zinc/43/70/51/1106437051.db2.gz KTYPUTRRBHUYCN-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@]2(C)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536602 1106437054 /nfs/dbraw/zinc/43/70/54/1106437054.db2.gz KTYPUTRRBHUYCN-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540515 1106437915 /nfs/dbraw/zinc/43/79/15/1106437915.db2.gz IQJIUOXQROEOMI-UMGGQSCQSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540515 1106437918 /nfs/dbraw/zinc/43/79/18/1106437918.db2.gz IQJIUOXQROEOMI-UMGGQSCQSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540515 1106437919 /nfs/dbraw/zinc/43/79/19/1106437919.db2.gz IQJIUOXQROEOMI-UMGGQSCQSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001256540515 1106437922 /nfs/dbraw/zinc/43/79/22/1106437922.db2.gz IQJIUOXQROEOMI-UMGGQSCQSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H](N2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538617 1106437982 /nfs/dbraw/zinc/43/79/82/1106437982.db2.gz UNMKXKRDFMQNPO-YLJYHZDGSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256543879 1106439377 /nfs/dbraw/zinc/43/93/77/1106439377.db2.gz VBSJMLAILYWVLY-LMCOJAPRSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256543879 1106439378 /nfs/dbraw/zinc/43/93/78/1106439378.db2.gz VBSJMLAILYWVLY-LMCOJAPRSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543879 1106439381 /nfs/dbraw/zinc/43/93/81/1106439381.db2.gz VBSJMLAILYWVLY-LMCOJAPRSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543879 1106439385 /nfs/dbraw/zinc/43/93/85/1106439385.db2.gz VBSJMLAILYWVLY-LMCOJAPRSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CCCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541801 1106439494 /nfs/dbraw/zinc/43/94/94/1106439494.db2.gz NJYSSPANLRGBPM-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541801 1106439497 /nfs/dbraw/zinc/43/94/97/1106439497.db2.gz NJYSSPANLRGBPM-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541801 1106439498 /nfs/dbraw/zinc/43/94/98/1106439498.db2.gz NJYSSPANLRGBPM-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541801 1106439501 /nfs/dbraw/zinc/43/95/01/1106439501.db2.gz NJYSSPANLRGBPM-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H](CO)CC[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC001256544416 1106439559 /nfs/dbraw/zinc/43/95/59/1106439559.db2.gz YCRPUDFAPCTOLO-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@H](CO)CC[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001256544416 1106439562 /nfs/dbraw/zinc/43/95/62/1106439562.db2.gz YCRPUDFAPCTOLO-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H](CO)CC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544416 1106439564 /nfs/dbraw/zinc/43/95/64/1106439564.db2.gz YCRPUDFAPCTOLO-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](CO)CC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544416 1106439566 /nfs/dbraw/zinc/43/95/66/1106439566.db2.gz YCRPUDFAPCTOLO-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1Cc1ccccc1 ZINC001256551645 1106441047 /nfs/dbraw/zinc/44/10/47/1106441047.db2.gz SWWNRCZWJQWIOI-XFUTXVRSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256551645 1106441051 /nfs/dbraw/zinc/44/10/51/1106441051.db2.gz SWWNRCZWJQWIOI-XFUTXVRSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256551645 1106441052 /nfs/dbraw/zinc/44/10/52/1106441052.db2.gz SWWNRCZWJQWIOI-XFUTXVRSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551645 1106441055 /nfs/dbraw/zinc/44/10/55/1106441055.db2.gz SWWNRCZWJQWIOI-XFUTXVRSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551645 1106441057 /nfs/dbraw/zinc/44/10/57/1106441057.db2.gz SWWNRCZWJQWIOI-XFUTXVRSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](CCO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256556368 1106443619 /nfs/dbraw/zinc/44/36/19/1106443619.db2.gz ZENGIDFJNMNBPN-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556368 1106443622 /nfs/dbraw/zinc/44/36/22/1106443622.db2.gz ZENGIDFJNMNBPN-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556368 1106443624 /nfs/dbraw/zinc/44/36/24/1106443624.db2.gz ZENGIDFJNMNBPN-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556368 1106443628 /nfs/dbraw/zinc/44/36/28/1106443628.db2.gz ZENGIDFJNMNBPN-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1C[C@H](n2ccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256557209 1106444016 /nfs/dbraw/zinc/44/40/16/1106444016.db2.gz IGPKQICTSVLYAV-QFBILLFUSA-N 2 1 309.457 3.359 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560899 1106444673 /nfs/dbraw/zinc/44/46/73/1106444673.db2.gz UQAHFJRSVVOSSN-FRQCXROJSA-N 2 1 302.462 3.006 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560899 1106444674 /nfs/dbraw/zinc/44/46/74/1106444674.db2.gz UQAHFJRSVVOSSN-FRQCXROJSA-N 2 1 302.462 3.006 20 0 DGADMP Cc1nc2c(n1[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C[NH2+]CC2 ZINC001256561663 1106444853 /nfs/dbraw/zinc/44/48/53/1106444853.db2.gz ZDPMVENIDRGYFP-YJBOKZPZSA-N 2 1 324.472 3.063 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](CCO)c2ccc(F)cc2)CC1 ZINC001256561992 1106445642 /nfs/dbraw/zinc/44/56/42/1106445642.db2.gz SSVNAIHOIHSYHC-QGZVFWFLSA-N 2 1 308.441 3.102 20 0 DGADMP CC(C)(C)N1CCC([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001256562608 1106445882 /nfs/dbraw/zinc/44/58/82/1106445882.db2.gz XPZMMPSKBAYGNV-VQIMIIECSA-N 2 1 309.542 3.383 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001256564105 1106445958 /nfs/dbraw/zinc/44/59/58/1106445958.db2.gz RQTYDFMGUSWQHM-SFHVURJKSA-N 2 1 316.489 3.495 20 0 DGADMP COc1ccccc1CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621032 1106455131 /nfs/dbraw/zinc/45/51/31/1106455131.db2.gz HTTACLXYGFUNOO-AYHJJNSGSA-N 2 1 316.489 3.479 20 0 DGADMP COc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001256621691 1106455866 /nfs/dbraw/zinc/45/58/66/1106455866.db2.gz ZQAOWSFJKHOQBV-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP COc1cccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001256621601 1106455937 /nfs/dbraw/zinc/45/59/37/1106455937.db2.gz WQCVVMFKGRPMBB-AYHJJNSGSA-N 2 1 314.473 3.233 20 0 DGADMP COc1ccccc1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256628840 1106456734 /nfs/dbraw/zinc/45/67/34/1106456734.db2.gz QNSLFANSBQLRMK-JWTNVVGKSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001256638723 1106459874 /nfs/dbraw/zinc/45/98/74/1106459874.db2.gz FYAAPXNOIPJTTI-TVFCKZIOSA-N 2 1 314.473 3.157 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001256638723 1106459876 /nfs/dbraw/zinc/45/98/76/1106459876.db2.gz FYAAPXNOIPJTTI-TVFCKZIOSA-N 2 1 314.473 3.157 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001256643526 1106460940 /nfs/dbraw/zinc/46/09/40/1106460940.db2.gz NLDCSSMROGEEMK-AEFFLSMTSA-N 2 1 316.489 3.394 20 0 DGADMP C[N@@H+]([C@@H]1CCc2ccccc21)C1CCC([NH+]2CCOCC2)CC1 ZINC001256700193 1106470829 /nfs/dbraw/zinc/47/08/29/1106470829.db2.gz SFBQQTAHXLWEKF-AFMYVXGZSA-N 2 1 314.473 3.249 20 0 DGADMP C1CC[C@@H]2[C@H](C1)CCC[N@H+]2C1CCC([NH+]2CCOCC2)CC1 ZINC001256697679 1106470951 /nfs/dbraw/zinc/47/09/51/1106470951.db2.gz HDWMBNCIMDTSIQ-LWSMDNFKSA-N 2 1 306.494 3.284 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256732847 1106476169 /nfs/dbraw/zinc/47/61/69/1106476169.db2.gz WHCCCPCZIYAMOB-VDGAXYAQSA-N 2 1 324.472 3.180 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001256821392 1106490770 /nfs/dbraw/zinc/49/07/70/1106490770.db2.gz AFORSIWUDVGFOX-RTBURBONSA-N 2 1 300.446 3.077 20 0 DGADMP COc1cccc2c1C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256855754 1106498002 /nfs/dbraw/zinc/49/80/02/1106498002.db2.gz VDRMIFKHJHQFEE-UHFFFAOYSA-N 2 1 323.440 3.117 20 0 DGADMP F[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC1(F)F ZINC001256855154 1106498145 /nfs/dbraw/zinc/49/81/45/1106498145.db2.gz GBOUFFSSBPTKRW-HNNXBMFYSA-N 2 1 313.367 3.120 20 0 DGADMP C[N@@H+](CCc1cccs1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861237 1106498540 /nfs/dbraw/zinc/49/85/40/1106498540.db2.gz TXRRBMDVJJCDCN-UHFFFAOYSA-N 2 1 301.459 3.286 20 0 DGADMP c1ccc(C[C@@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC001256860818 1106499056 /nfs/dbraw/zinc/49/90/56/1106499056.db2.gz JSRSFXBRHZIAES-FQEVSTJZSA-N 2 1 322.456 3.153 20 0 DGADMP c1ccc2c(c1)CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256861020 1106499174 /nfs/dbraw/zinc/49/91/74/1106499174.db2.gz KORQNHSRPHKUJO-UHFFFAOYSA-N 2 1 307.441 3.499 20 0 DGADMP C[NH+](C)[C@@H](CN[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899184 1106504982 /nfs/dbraw/zinc/50/49/82/1106504982.db2.gz RVSLTWBLJNZTEX-QUCCMNQESA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](C)[C@@H](CN[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899184 1106504986 /nfs/dbraw/zinc/50/49/86/1106504986.db2.gz RVSLTWBLJNZTEX-QUCCMNQESA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899182 1106505167 /nfs/dbraw/zinc/50/51/67/1106505167.db2.gz RVSLTWBLJNZTEX-AZUAARDMSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899182 1106505171 /nfs/dbraw/zinc/50/51/71/1106505171.db2.gz RVSLTWBLJNZTEX-AZUAARDMSA-N 2 1 315.505 3.286 20 0 DGADMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)CO2 ZINC001256904556 1106506697 /nfs/dbraw/zinc/50/66/97/1106506697.db2.gz JDJSEBHCGNSMLP-SJLPKXTDSA-N 2 1 314.473 3.234 20 0 DGADMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)CO2 ZINC001256904556 1106506700 /nfs/dbraw/zinc/50/67/00/1106506700.db2.gz JDJSEBHCGNSMLP-SJLPKXTDSA-N 2 1 314.473 3.234 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC001256906469 1106508548 /nfs/dbraw/zinc/50/85/48/1106508548.db2.gz BKIGAFSPTZZKMZ-MRXNPFEDSA-N 2 1 320.452 3.373 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)c(F)c1 ZINC001256906469 1106508550 /nfs/dbraw/zinc/50/85/50/1106508550.db2.gz BKIGAFSPTZZKMZ-MRXNPFEDSA-N 2 1 320.452 3.373 20 0 DGADMP [NH3+]CCc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2cc[nH+]cc12 ZINC001256907144 1106508568 /nfs/dbraw/zinc/50/85/68/1106508568.db2.gz GEUOZFHCGZBKRA-QGZVFWFLSA-N 3 1 312.461 3.117 20 0 DGADMP [NH3+]CCc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2ccncc12 ZINC001256907144 1106508570 /nfs/dbraw/zinc/50/85/70/1106508570.db2.gz GEUOZFHCGZBKRA-QGZVFWFLSA-N 2 1 312.461 3.117 20 0 DGADMP [NH3+]CCc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccncc12 ZINC001256907144 1106508573 /nfs/dbraw/zinc/50/85/73/1106508573.db2.gz GEUOZFHCGZBKRA-QGZVFWFLSA-N 2 1 312.461 3.117 20 0 DGADMP C[NH+]1CCC(CCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256908377 1106509150 /nfs/dbraw/zinc/50/91/50/1106509150.db2.gz NAVODNWOBMDEHA-GOSISDBHSA-N 3 1 307.526 3.105 20 0 DGADMP C[NH+]1CCC(CCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256908377 1106509155 /nfs/dbraw/zinc/50/91/55/1106509155.db2.gz NAVODNWOBMDEHA-GOSISDBHSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908781 1106509248 /nfs/dbraw/zinc/50/92/48/1106509248.db2.gz QIMGBPGPSGSVQX-DLBZAZTESA-N 3 1 309.542 3.384 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908781 1106509250 /nfs/dbraw/zinc/50/92/50/1106509250.db2.gz QIMGBPGPSGSVQX-DLBZAZTESA-N 3 1 309.542 3.384 20 0 DGADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256910048 1106509635 /nfs/dbraw/zinc/50/96/35/1106509635.db2.gz WSVDNUSBEPNJLG-QZTJIDSGSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256910048 1106509639 /nfs/dbraw/zinc/50/96/39/1106509639.db2.gz WSVDNUSBEPNJLG-QZTJIDSGSA-N 2 1 302.437 3.290 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257038645 1106528263 /nfs/dbraw/zinc/52/82/63/1106528263.db2.gz QYMKADLQCKPXCV-SJORKVTESA-N 2 1 312.498 3.210 20 0 DGADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257043003 1106528956 /nfs/dbraw/zinc/52/89/56/1106528956.db2.gz GLIPOOXWHKDZDC-UOVPBQLFSA-N 2 1 322.493 3.233 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257047424 1106529864 /nfs/dbraw/zinc/52/98/64/1106529864.db2.gz KNISHBYUZUGIDF-AHCXZYCDSA-N 2 1 324.509 3.479 20 0 DGADMP CC(C)N1CCC([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001257211364 1106551867 /nfs/dbraw/zinc/55/18/67/1106551867.db2.gz IITJHUJVXKUEIO-UHFFFAOYSA-N 2 1 309.542 3.207 20 0 DGADMP CCC[C@H](CC)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001257259813 1106557325 /nfs/dbraw/zinc/55/73/25/1106557325.db2.gz NIZCBYVHOMXDSN-GBESFXJTSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@H](CC)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001257259813 1106557328 /nfs/dbraw/zinc/55/73/28/1106557328.db2.gz NIZCBYVHOMXDSN-GBESFXJTSA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@H](CC)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001257259813 1106557329 /nfs/dbraw/zinc/55/73/29/1106557329.db2.gz NIZCBYVHOMXDSN-GBESFXJTSA-N 2 1 308.510 3.245 20 0 DGADMP CCC(CC)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001257290791 1106562069 /nfs/dbraw/zinc/56/20/69/1106562069.db2.gz FJVQJXLMACFZGI-UHFFFAOYSA-N 2 1 304.478 3.480 20 0 DGADMP CCCC(CCC)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001257328873 1106569154 /nfs/dbraw/zinc/56/91/54/1106569154.db2.gz LWZZKHVVZJQGHM-UHFFFAOYSA-N 2 1 317.521 3.492 20 0 DGADMP CCCCCC1CCC([NH2+][C@H](CCCC[NH3+])C(=O)OC)CC1 ZINC001257370553 1106575085 /nfs/dbraw/zinc/57/50/85/1106575085.db2.gz PVUDFEQNXNMWLE-OFLPRAFFSA-N 2 1 312.498 3.386 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@@H+](CCC)CCC[NH+](C)C ZINC001257401920 1106581927 /nfs/dbraw/zinc/58/19/27/1106581927.db2.gz FCLYCAFGLSRTKN-INIZCTEOSA-N 2 1 300.487 3.162 20 0 DGADMP CCC(C)(C)C1CCC([N@@H+](C)CCN2CC[NH+](C)CC2)CC1 ZINC001257407196 1106583338 /nfs/dbraw/zinc/58/33/38/1106583338.db2.gz BTSPFVVMNVQWND-UHFFFAOYSA-N 2 1 309.542 3.161 20 0 DGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001257456576 1106593205 /nfs/dbraw/zinc/59/32/05/1106593205.db2.gz VEZPESMXKPPCHK-MRXNPFEDSA-N 2 1 322.493 3.059 20 0 DGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001257456576 1106593208 /nfs/dbraw/zinc/59/32/08/1106593208.db2.gz VEZPESMXKPPCHK-MRXNPFEDSA-N 2 1 322.493 3.059 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(Br)cc1 ZINC001257554939 1106604096 /nfs/dbraw/zinc/60/40/96/1106604096.db2.gz FQZLXLOAIIZWGJ-CYBMUJFWSA-N 2 1 313.283 3.441 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccc(Br)cc1 ZINC001257555836 1106605116 /nfs/dbraw/zinc/60/51/16/1106605116.db2.gz ROVVMIRGTXLQFA-NSHDSACASA-N 2 1 322.250 3.259 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257675139 1106618682 /nfs/dbraw/zinc/61/86/82/1106618682.db2.gz XXTVPZXJULVNQH-QRVBRYPASA-N 2 1 316.514 3.254 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257684934 1106621489 /nfs/dbraw/zinc/62/14/89/1106621489.db2.gz YWCWBCQGNZOAAQ-IPMKNSEASA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257684934 1106621490 /nfs/dbraw/zinc/62/14/90/1106621490.db2.gz YWCWBCQGNZOAAQ-IPMKNSEASA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257684934 1106621492 /nfs/dbraw/zinc/62/14/92/1106621492.db2.gz YWCWBCQGNZOAAQ-IPMKNSEASA-N 2 1 316.514 3.336 20 0 DGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257909812 1106645868 /nfs/dbraw/zinc/64/58/68/1106645868.db2.gz NUOHQIGIBDBADU-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953105 1106649765 /nfs/dbraw/zinc/64/97/65/1106649765.db2.gz NMBOFTWMZOLELB-LUKYLMHMSA-N 2 1 320.864 3.248 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC001257953105 1106649769 /nfs/dbraw/zinc/64/97/69/1106649769.db2.gz NMBOFTWMZOLELB-LUKYLMHMSA-N 2 1 320.864 3.248 20 0 DGADMP Cc1cccn2c([C@H](C)[NH2+]C3CC[NH+](CC(C)C)CC3)cnc12 ZINC001258005457 1106656622 /nfs/dbraw/zinc/65/66/22/1106656622.db2.gz RTRKJASBSMKWSP-INIZCTEOSA-N 2 1 314.477 3.414 20 0 DGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258068829 1106666932 /nfs/dbraw/zinc/66/69/32/1106666932.db2.gz GBEUBCXXBZTISO-ZSYWTGECSA-N 2 1 309.542 3.157 20 0 DGADMP F[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258132030 1106679247 /nfs/dbraw/zinc/67/92/47/1106679247.db2.gz CKBFSULRBMIYAU-QZTJIDSGSA-N 2 1 304.453 3.421 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258181569 1106689280 /nfs/dbraw/zinc/68/92/80/1106689280.db2.gz DKKFOIXXXLJDDT-SZMVWBNQSA-N 2 1 313.445 3.378 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001258405413 1106732498 /nfs/dbraw/zinc/73/24/98/1106732498.db2.gz DHRSLGMNWDEYOS-KRWDZBQOSA-N 2 1 316.489 3.434 20 0 DGADMP C[C@H](CC1CC1)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001258467090 1106765699 /nfs/dbraw/zinc/76/56/99/1106765699.db2.gz WKKNNLWVRHRVBY-MRXNPFEDSA-N 2 1 316.493 3.039 20 0 DGADMP C[C@@H](CC1CC1)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001258467089 1106766238 /nfs/dbraw/zinc/76/62/38/1106766238.db2.gz WKKNNLWVRHRVBY-INIZCTEOSA-N 2 1 316.493 3.039 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001258476384 1106770472 /nfs/dbraw/zinc/77/04/72/1106770472.db2.gz RISGKGVQDDAGNB-DOTOQJQBSA-N 2 1 306.450 3.001 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258483528 1106773021 /nfs/dbraw/zinc/77/30/21/1106773021.db2.gz OVJKKWSNBLGVAW-JYJNAYRXSA-N 2 1 312.498 3.336 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258499988 1106783855 /nfs/dbraw/zinc/78/38/55/1106783855.db2.gz VTABPFGIKQYNNB-ULQDDVLXSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258499988 1106783866 /nfs/dbraw/zinc/78/38/66/1106783866.db2.gz VTABPFGIKQYNNB-ULQDDVLXSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258499988 1106783877 /nfs/dbraw/zinc/78/38/77/1106783877.db2.gz VTABPFGIKQYNNB-ULQDDVLXSA-N 2 1 310.482 3.057 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258526132 1106796173 /nfs/dbraw/zinc/79/61/73/1106796173.db2.gz WKLDHIIVULHXEX-UHFFFAOYSA-N 2 1 324.509 3.116 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258537403 1106808551 /nfs/dbraw/zinc/80/85/51/1106808551.db2.gz MHSUOTMHMLOCLV-INIZCTEOSA-N 2 1 321.896 3.383 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541277 1106811603 /nfs/dbraw/zinc/81/16/03/1106811603.db2.gz FKFADOHMXXSVFK-YOEHRIQHSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541277 1106811613 /nfs/dbraw/zinc/81/16/13/1106811613.db2.gz FKFADOHMXXSVFK-YOEHRIQHSA-N 2 1 321.896 3.239 20 0 DGADMP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258598993 1106837411 /nfs/dbraw/zinc/83/74/11/1106837411.db2.gz OSEFRAKQUIOVDO-QRVBRYPASA-N 2 1 316.489 3.038 20 0 DGADMP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258598993 1106837419 /nfs/dbraw/zinc/83/74/19/1106837419.db2.gz OSEFRAKQUIOVDO-QRVBRYPASA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1C[N@H+]([C@@H]1CCC(C)(C)C1)CC2 ZINC001258601327 1106839835 /nfs/dbraw/zinc/83/98/35/1106839835.db2.gz UVHXYFPHMQXBTC-OAHLLOKOSA-N 2 1 318.509 3.462 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1CN([C@@H]1CCC(C)(C)C1)CC2 ZINC001258601327 1106839843 /nfs/dbraw/zinc/83/98/43/1106839843.db2.gz UVHXYFPHMQXBTC-OAHLLOKOSA-N 2 1 318.509 3.462 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258629572 1106865061 /nfs/dbraw/zinc/86/50/61/1106865061.db2.gz CTHWEUPLALWFMD-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258629572 1106865074 /nfs/dbraw/zinc/86/50/74/1106865074.db2.gz CTHWEUPLALWFMD-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258629572 1106865088 /nfs/dbraw/zinc/86/50/88/1106865088.db2.gz CTHWEUPLALWFMD-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP CCC1CCC(C2CCC([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC2)CC1 ZINC001258631272 1106866488 /nfs/dbraw/zinc/86/64/88/1106866488.db2.gz FZGZARGRMYWVJA-AWDGRILASA-N 2 1 324.509 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690443 1106907933 /nfs/dbraw/zinc/90/79/33/1106907933.db2.gz RHJXSDVYMZIBNL-KBAYOESNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC(C)(C)C1 ZINC001258690443 1106907943 /nfs/dbraw/zinc/90/79/43/1106907943.db2.gz RHJXSDVYMZIBNL-KBAYOESNSA-N 2 1 308.510 3.292 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258708205 1106921980 /nfs/dbraw/zinc/92/19/80/1106921980.db2.gz SMIRHKMHMJMZKQ-FQEVSTJZSA-N 2 1 318.505 3.488 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(Cl)c2)CC1 ZINC001258766880 1106961801 /nfs/dbraw/zinc/96/18/01/1106961801.db2.gz IFPMSSKTOFXJBT-KRWDZBQOSA-N 2 1 310.869 3.228 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001258764906 1106962040 /nfs/dbraw/zinc/96/20/40/1106962040.db2.gz WKPPXAWDVXUFFL-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP CC[C@@H](C)C[C@@H](CC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258795022 1106981955 /nfs/dbraw/zinc/98/19/55/1106981955.db2.gz NXJOUAHTPSLBHE-HZPDHXFCSA-N 2 1 300.487 3.018 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258824856 1107007189 /nfs/dbraw/zinc/00/71/89/1107007189.db2.gz UDPLPDHDBXUJTJ-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258824856 1107007201 /nfs/dbraw/zinc/00/72/01/1107007201.db2.gz UDPLPDHDBXUJTJ-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258824856 1107007215 /nfs/dbraw/zinc/00/72/15/1107007215.db2.gz UDPLPDHDBXUJTJ-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258886432 1107038193 /nfs/dbraw/zinc/03/81/93/1107038193.db2.gz LAMNTJIVDPVBKJ-XYJFISCASA-N 2 1 304.478 3.335 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258898606 1107045950 /nfs/dbraw/zinc/04/59/50/1107045950.db2.gz MVYMJEGNWGRSAU-HZPDHXFCSA-N 2 1 300.487 3.064 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001258908277 1107055883 /nfs/dbraw/zinc/05/58/83/1107055883.db2.gz UHQYYWSEALUIFO-ZBFHGGJFSA-N 2 1 308.470 3.068 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001258910703 1107058016 /nfs/dbraw/zinc/05/80/16/1107058016.db2.gz UISURGSXNYEWRW-SNRMKQJTSA-N 2 1 314.473 3.409 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC001320601810 1107068481 /nfs/dbraw/zinc/06/84/81/1107068481.db2.gz FVQJHJMJESDRTE-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC001320601810 1107068493 /nfs/dbraw/zinc/06/84/93/1107068493.db2.gz FVQJHJMJESDRTE-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC001320601810 1107068504 /nfs/dbraw/zinc/06/85/04/1107068504.db2.gz FVQJHJMJESDRTE-JQFCIGGWSA-N 2 1 310.869 3.036 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)CC2 ZINC001321163244 1107270788 /nfs/dbraw/zinc/27/07/88/1107270788.db2.gz NTRBTFGKMLXYEE-NEWSRXKRSA-N 2 1 302.462 3.015 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC001261201401 1107358061 /nfs/dbraw/zinc/35/80/61/1107358061.db2.gz AUCPHIYMADSVAV-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC001261201401 1107358076 /nfs/dbraw/zinc/35/80/76/1107358076.db2.gz AUCPHIYMADSVAV-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCC[NH2+]C2)cc1 ZINC001261642365 1107491430 /nfs/dbraw/zinc/49/14/30/1107491430.db2.gz GDYFJVKQPLTNTN-IAZCMVOBSA-N 2 1 300.446 3.060 20 0 DGADMP CCOCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001261837295 1107542178 /nfs/dbraw/zinc/54/21/78/1107542178.db2.gz ZIPKVXXRMNDOLN-QFBILLFUSA-N 2 1 302.462 3.012 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1snnc1C ZINC001262276059 1107667011 /nfs/dbraw/zinc/66/70/11/1107667011.db2.gz SVJSVORLPZUBCN-CYBMUJFWSA-N 2 1 307.467 3.079 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1snnc1C ZINC001262276059 1107667017 /nfs/dbraw/zinc/66/70/17/1107667017.db2.gz SVJSVORLPZUBCN-CYBMUJFWSA-N 2 1 307.467 3.079 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1snnc1C ZINC001262276060 1107667200 /nfs/dbraw/zinc/66/72/00/1107667200.db2.gz SVJSVORLPZUBCN-ZDUSSCGKSA-N 2 1 307.467 3.079 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1snnc1C ZINC001262276060 1107667202 /nfs/dbraw/zinc/66/72/02/1107667202.db2.gz SVJSVORLPZUBCN-ZDUSSCGKSA-N 2 1 307.467 3.079 20 0 DGADMP [NH3+]C[C@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)C1CCCCCC1 ZINC001262384255 1107710196 /nfs/dbraw/zinc/71/01/96/1107710196.db2.gz ZNYYREWCCJCKTD-HOTGVXAUSA-N 2 1 314.433 3.130 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566801 1108015638 /nfs/dbraw/zinc/01/56/38/1108015638.db2.gz HNGCYZUCMVDDOU-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC001323566801 1108015654 /nfs/dbraw/zinc/01/56/54/1108015654.db2.gz HNGCYZUCMVDDOU-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001323566801 1108015665 /nfs/dbraw/zinc/01/56/65/1108015665.db2.gz HNGCYZUCMVDDOU-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001323566801 1108015680 /nfs/dbraw/zinc/01/56/80/1108015680.db2.gz HNGCYZUCMVDDOU-LPHOPBHVSA-N 2 1 302.437 3.317 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000384081442 1108242854 /nfs/dbraw/zinc/24/28/54/1108242854.db2.gz XCWGDOXQJKECOI-OAQYLSRUSA-N 2 1 322.452 3.123 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001318959395 1108253726 /nfs/dbraw/zinc/25/37/26/1108253726.db2.gz PULQZVSCQQHMCH-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2o1 ZINC001324424740 1108282504 /nfs/dbraw/zinc/28/25/04/1108282504.db2.gz LSPNXHVGZXPING-GOSISDBHSA-N 2 1 314.429 3.166 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319201301 1108364714 /nfs/dbraw/zinc/36/47/14/1108364714.db2.gz PSCMOKNKAXSROG-QYZOEREBSA-N 2 1 322.468 3.236 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281860 1108398657 /nfs/dbraw/zinc/39/86/57/1108398657.db2.gz DTLNGMGDUFADLM-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC001319281860 1108398669 /nfs/dbraw/zinc/39/86/69/1108398669.db2.gz DTLNGMGDUFADLM-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388576811 1108574915 /nfs/dbraw/zinc/57/49/15/1108574915.db2.gz FEFOJBCSUPWJBJ-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1ccc(C[NH3+])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388576811 1108574922 /nfs/dbraw/zinc/57/49/22/1108574922.db2.gz FEFOJBCSUPWJBJ-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1ccc(C[NH3+])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388576811 1108574934 /nfs/dbraw/zinc/57/49/34/1108574934.db2.gz FEFOJBCSUPWJBJ-NRFANRHFSA-N 2 1 323.484 3.242 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Br)cc1SC ZINC001325267730 1108608852 /nfs/dbraw/zinc/60/88/52/1108608852.db2.gz OETZIXBQFSPLCU-SNVBAGLBSA-N 2 1 317.296 3.259 20 0 DGADMP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282678232 1109549941 /nfs/dbraw/zinc/54/99/41/1109549941.db2.gz PTVLSSSQJOYIFH-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001284127619 1109742563 /nfs/dbraw/zinc/74/25/63/1109742563.db2.gz CIMRXEJYKAKWMF-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001284127619 1109742566 /nfs/dbraw/zinc/74/25/66/1109742566.db2.gz CIMRXEJYKAKWMF-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001284127619 1109742570 /nfs/dbraw/zinc/74/25/70/1109742570.db2.gz CIMRXEJYKAKWMF-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC(C)C ZINC001307517838 1111309918 /nfs/dbraw/zinc/30/99/18/1111309918.db2.gz ZKVXYJPJFRGSGL-KDURUIRLSA-N 2 1 311.558 3.264 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C(=O)OC)c2)C[C@@H]1C ZINC001307517382 1111309946 /nfs/dbraw/zinc/30/99/46/1111309946.db2.gz ZAQZICSRTFWYTC-RDJZCZTQSA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@@H]1C ZINC001307517382 1111309950 /nfs/dbraw/zinc/30/99/50/1111309950.db2.gz ZAQZICSRTFWYTC-RDJZCZTQSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@@H]1C ZINC001307517382 1111309963 /nfs/dbraw/zinc/30/99/63/1111309963.db2.gz ZAQZICSRTFWYTC-RDJZCZTQSA-N 2 1 318.461 3.086 20 0 DGADMP CN(CC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001307525585 1111312159 /nfs/dbraw/zinc/31/21/59/1111312159.db2.gz IWIGFZXYLLOOQB-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765766 1111336601 /nfs/dbraw/zinc/33/66/01/1111336601.db2.gz DKURYLZPRKZXLA-ROUUACIJSA-N 2 1 306.494 3.327 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765766 1111336602 /nfs/dbraw/zinc/33/66/02/1111336602.db2.gz DKURYLZPRKZXLA-ROUUACIJSA-N 2 1 306.494 3.327 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765766 1111336604 /nfs/dbraw/zinc/33/66/04/1111336604.db2.gz DKURYLZPRKZXLA-ROUUACIJSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765766 1111336606 /nfs/dbraw/zinc/33/66/06/1111336606.db2.gz DKURYLZPRKZXLA-ROUUACIJSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765766 1111336607 /nfs/dbraw/zinc/33/66/07/1111336607.db2.gz DKURYLZPRKZXLA-ROUUACIJSA-N 2 1 306.494 3.327 20 0 DGADMP C[NH+]1C[C@@]2(C)C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C[C@]2(C)C1 ZINC001307977812 1111361837 /nfs/dbraw/zinc/36/18/37/1111361837.db2.gz GLGUODMMPROXFE-XSLAGTTESA-N 2 1 320.427 3.309 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)ncn3C)C1 ZINC001308204241 1111397546 /nfs/dbraw/zinc/39/75/46/1111397546.db2.gz VVZQHBUXOYHCRS-MRXNPFEDSA-N 2 1 314.477 3.175 20 0 DGADMP CC[C@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001308254548 1111405523 /nfs/dbraw/zinc/40/55/23/1111405523.db2.gz UAMBTFIZIAWOBO-PKOBYXMFSA-N 2 1 309.542 3.209 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC001308293197 1111412189 /nfs/dbraw/zinc/41/21/89/1111412189.db2.gz KFLZDDKBPLWBAQ-HYVNUMGLSA-N 2 1 302.462 3.015 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC001308293197 1111412191 /nfs/dbraw/zinc/41/21/91/1111412191.db2.gz KFLZDDKBPLWBAQ-HYVNUMGLSA-N 2 1 302.462 3.015 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001308368032 1111422206 /nfs/dbraw/zinc/42/22/06/1111422206.db2.gz ZMXLAQCOXVVZBN-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c(OC(F)F)cc1C ZINC001308553176 1111443069 /nfs/dbraw/zinc/44/30/69/1111443069.db2.gz IFKRWYHQMKHUSP-FVQBIDKESA-N 2 1 324.415 3.335 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c(OC(F)F)cc1C ZINC001308553176 1111443072 /nfs/dbraw/zinc/44/30/72/1111443072.db2.gz IFKRWYHQMKHUSP-FVQBIDKESA-N 2 1 324.415 3.335 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001308598568 1111449427 /nfs/dbraw/zinc/44/94/27/1111449427.db2.gz LMFQDYVVHGFLHU-IBGZPJMESA-N 2 1 316.489 3.108 20 0 DGADMP CC[C@H](C)[C@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC001308731699 1111466884 /nfs/dbraw/zinc/46/68/84/1111466884.db2.gz MGMAUUQDHBIGAI-KSSFIOAISA-N 2 1 306.450 3.294 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)CC1 ZINC001308981463 1111504317 /nfs/dbraw/zinc/50/43/17/1111504317.db2.gz IXIRMXVHXLPUNW-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP CCCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316872345 1111786711 /nfs/dbraw/zinc/78/67/11/1111786711.db2.gz BMXJOTRORYFQNP-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC001620695907 1193792623 /nfs/dbraw/zinc/79/26/23/1193792623.db2.gz XJUDPMCAVPTTCQ-UHFFFAOYSA-N 2 1 306.498 3.289 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000278511260 214201349 /nfs/dbraw/zinc/20/13/49/214201349.db2.gz OXOFTBIGUGGOEU-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000278511260 214201351 /nfs/dbraw/zinc/20/13/51/214201351.db2.gz OXOFTBIGUGGOEU-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@H+](C[C@@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278494273 214190896 /nfs/dbraw/zinc/19/08/96/214190896.db2.gz UOOBLGXDLFJCPQ-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+](C[C@@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278494273 214190898 /nfs/dbraw/zinc/19/08/98/214190898.db2.gz UOOBLGXDLFJCPQ-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3cccc(F)c3)C2)CCCO1 ZINC000278538443 214221376 /nfs/dbraw/zinc/22/13/76/214221376.db2.gz NWKLEQNGPINSNO-DMKPSLHHSA-N 2 1 320.452 3.162 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3cccc(F)c3)C2)CCCO1 ZINC000278538443 214221377 /nfs/dbraw/zinc/22/13/77/214221377.db2.gz NWKLEQNGPINSNO-DMKPSLHHSA-N 2 1 320.452 3.162 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278604597 214268811 /nfs/dbraw/zinc/26/88/11/214268811.db2.gz CLEJNBDLLBODGP-SZMVWBNQSA-N 2 1 304.503 3.240 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000309712919 231102595 /nfs/dbraw/zinc/10/25/95/231102595.db2.gz JWOUQRGJJBYZDS-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]Cc3ccncc3)C2)cc1 ZINC000309829597 231103799 /nfs/dbraw/zinc/10/37/99/231103799.db2.gz FYLUYDCCBUPHGD-HXUWFJFHSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000278731837 214361588 /nfs/dbraw/zinc/36/15/88/214361588.db2.gz WIRZQIPHUQZDPO-LSDHHAIUSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000278731837 214361589 /nfs/dbraw/zinc/36/15/89/214361589.db2.gz WIRZQIPHUQZDPO-LSDHHAIUSA-N 2 1 310.869 3.492 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000309982249 231108840 /nfs/dbraw/zinc/10/88/40/231108840.db2.gz VQJQNAJWVKMKEE-ROUUACIJSA-N 2 1 304.503 3.384 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015373 231110212 /nfs/dbraw/zinc/11/02/12/231110212.db2.gz NNKYQKTUAILJMF-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015373 231110216 /nfs/dbraw/zinc/11/02/16/231110216.db2.gz NNKYQKTUAILJMF-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015373 231110220 /nfs/dbraw/zinc/11/02/20/231110220.db2.gz NNKYQKTUAILJMF-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015373 231110223 /nfs/dbraw/zinc/11/02/23/231110223.db2.gz NNKYQKTUAILJMF-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414880198 529471587 /nfs/dbraw/zinc/47/15/87/529471587.db2.gz JUDCFMXBXILXFB-GJZGRUSLSA-N 2 1 311.267 3.112 20 0 DGADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000278886492 214469699 /nfs/dbraw/zinc/46/96/99/214469699.db2.gz PTVHIPGJEFLCNY-MRXNPFEDSA-N 2 1 307.825 3.212 20 0 DGADMP CC[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432347102 529489584 /nfs/dbraw/zinc/48/95/84/529489584.db2.gz NSLQYAFNMJTICR-ROUUACIJSA-N 2 1 304.478 3.271 20 0 DGADMP CCc1cc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000302056540 529556521 /nfs/dbraw/zinc/55/65/21/529556521.db2.gz QVWJCULRGMFOBU-INIZCTEOSA-N 2 1 302.397 3.201 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000132351526 529584880 /nfs/dbraw/zinc/58/48/80/529584880.db2.gz SXEWFBFLVDEOKC-HKUYNNGSSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000314373428 529681790 /nfs/dbraw/zinc/68/17/90/529681790.db2.gz RYDCVJFYYPDHJJ-MRXNPFEDSA-N 2 1 306.450 3.229 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027894 185278969 /nfs/dbraw/zinc/27/89/69/185278969.db2.gz MTSALIHTOWPEGU-RKVPGOIHSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027894 185278970 /nfs/dbraw/zinc/27/89/70/185278970.db2.gz MTSALIHTOWPEGU-RKVPGOIHSA-N 2 1 302.462 3.436 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCO2 ZINC000279049084 214599224 /nfs/dbraw/zinc/59/92/24/214599224.db2.gz XXZMDJDXZWQQOM-YOEHRIQHSA-N 2 1 311.429 3.121 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827790 210227201 /nfs/dbraw/zinc/22/72/01/210227201.db2.gz PNAHKUJQZRBSFN-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c(C)c1OC ZINC000286738103 219137373 /nfs/dbraw/zinc/13/73/73/219137373.db2.gz HSLNMZFYSJDSLK-CABCVRRESA-N 2 1 306.450 3.147 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430636972 529988549 /nfs/dbraw/zinc/98/85/49/529988549.db2.gz BNQYKNPRWVZBMM-INIZCTEOSA-N 2 1 311.429 3.305 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430636972 529988550 /nfs/dbraw/zinc/98/85/50/529988550.db2.gz BNQYKNPRWVZBMM-INIZCTEOSA-N 2 1 311.429 3.305 20 0 DGADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000428457466 529999103 /nfs/dbraw/zinc/99/91/03/529999103.db2.gz XAGCEKNPRDIUIR-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000428457466 529999104 /nfs/dbraw/zinc/99/91/04/529999104.db2.gz XAGCEKNPRDIUIR-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000428457466 529999105 /nfs/dbraw/zinc/99/91/05/529999105.db2.gz XAGCEKNPRDIUIR-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000428457466 529999106 /nfs/dbraw/zinc/99/91/06/529999106.db2.gz XAGCEKNPRDIUIR-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614620 530004076 /nfs/dbraw/zinc/00/40/76/530004076.db2.gz GGKMYJOYOVPFLO-QGZVFWFLSA-N 2 1 311.429 3.448 20 0 DGADMP C[N@@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614620 530004077 /nfs/dbraw/zinc/00/40/77/530004077.db2.gz GGKMYJOYOVPFLO-QGZVFWFLSA-N 2 1 311.429 3.448 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432256433 530047588 /nfs/dbraw/zinc/04/75/88/530047588.db2.gz CQICJCQBVOKPPB-UHFFFAOYSA-N 2 1 303.208 3.484 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272741915 210146369 /nfs/dbraw/zinc/14/63/69/210146369.db2.gz INXJPPHWTZIHKE-YTQUADARSA-N 2 1 318.505 3.284 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000130089290 432014906 /nfs/dbraw/zinc/01/49/06/432014906.db2.gz UBNIZSHHHQPUIT-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CCOCCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272666581 210072333 /nfs/dbraw/zinc/07/23/33/210072333.db2.gz OBRXKWQIGDZAKF-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)cs1 ZINC000279722377 215091427 /nfs/dbraw/zinc/09/14/27/215091427.db2.gz MIJCYAYCOVHZSJ-SNVBAGLBSA-N 2 1 315.280 3.423 20 0 DGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000279726647 215094446 /nfs/dbraw/zinc/09/44/46/215094446.db2.gz MXYXYGRTDUICKE-CRAIPNDOSA-N 2 1 301.434 3.338 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000286959199 219245287 /nfs/dbraw/zinc/24/52/87/219245287.db2.gz BYFRNMXZEJLYPW-IUODEOHRSA-N 2 1 312.404 3.195 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000279795309 215152374 /nfs/dbraw/zinc/15/23/74/215152374.db2.gz VQSRTSNBVLIXKT-VKJFTORMSA-N 2 1 301.434 3.193 20 0 DGADMP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649403 545672648 /nfs/dbraw/zinc/67/26/48/545672648.db2.gz GXYHHIRKLOXUPT-MLGOLLRUSA-N 2 1 306.450 3.437 20 0 DGADMP Brc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106869046 432023387 /nfs/dbraw/zinc/02/33/87/432023387.db2.gz ZJTXDNLQWFEPLP-GHMZBOCLSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106869046 432023389 /nfs/dbraw/zinc/02/33/89/432023389.db2.gz ZJTXDNLQWFEPLP-GHMZBOCLSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106869046 432023391 /nfs/dbraw/zinc/02/33/91/432023391.db2.gz ZJTXDNLQWFEPLP-GHMZBOCLSA-N 2 1 315.280 3.227 20 0 DGADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150752105 186063662 /nfs/dbraw/zinc/06/36/62/186063662.db2.gz AZUVOXDZBCSLGF-OAHLLOKOSA-N 2 1 313.420 3.292 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150752105 186063664 /nfs/dbraw/zinc/06/36/64/186063664.db2.gz AZUVOXDZBCSLGF-OAHLLOKOSA-N 2 1 313.420 3.292 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)n2c1 ZINC000155684451 186103328 /nfs/dbraw/zinc/10/33/28/186103328.db2.gz SLZNKEHQFZEEBM-UHFFFAOYSA-N 2 1 300.450 3.042 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000155767996 186110691 /nfs/dbraw/zinc/11/06/91/186110691.db2.gz YPLNOMGWUHUTRG-ABSDTBQOSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925243 186143149 /nfs/dbraw/zinc/14/31/49/186143149.db2.gz OMWVKRQBXKCTKY-FXAWDEMLSA-N 3 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000163925243 186143151 /nfs/dbraw/zinc/14/31/51/186143151.db2.gz OMWVKRQBXKCTKY-FXAWDEMLSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000163925243 186143153 /nfs/dbraw/zinc/14/31/53/186143153.db2.gz OMWVKRQBXKCTKY-FXAWDEMLSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000163925243 186143154 /nfs/dbraw/zinc/14/31/54/186143154.db2.gz OMWVKRQBXKCTKY-FXAWDEMLSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177902735 186201365 /nfs/dbraw/zinc/20/13/65/186201365.db2.gz QUXZWYGWEUXFIH-JSGCOSHPSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177902735 186201366 /nfs/dbraw/zinc/20/13/66/186201366.db2.gz QUXZWYGWEUXFIH-JSGCOSHPSA-N 2 1 316.367 3.157 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCOCC1 ZINC000188012714 186243346 /nfs/dbraw/zinc/24/33/46/186243346.db2.gz INNAFOFDYBRXIR-RTBURBONSA-N 2 1 316.489 3.197 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268760029 186381439 /nfs/dbraw/zinc/38/14/39/186381439.db2.gz ZLHBVQBZAINLHY-FXAWDEMLSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268760029 186381440 /nfs/dbraw/zinc/38/14/40/186381440.db2.gz ZLHBVQBZAINLHY-FXAWDEMLSA-N 2 1 316.489 3.446 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000171931071 198010101 /nfs/dbraw/zinc/01/01/01/198010101.db2.gz QDPUVOFQPYUIOY-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C)c2)[C@H](C)C1 ZINC000130728531 432029448 /nfs/dbraw/zinc/02/94/48/432029448.db2.gz XEMYPEMHEXNRMA-UYAOXDASSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725128 191223052 /nfs/dbraw/zinc/22/30/52/191223052.db2.gz XCERONDNKOSEHQ-KRWDZBQOSA-N 2 1 317.477 3.130 20 0 DGADMP Cc1ccccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725128 191223055 /nfs/dbraw/zinc/22/30/55/191223055.db2.gz XCERONDNKOSEHQ-KRWDZBQOSA-N 2 1 317.477 3.130 20 0 DGADMP Cc1ccccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725128 191223057 /nfs/dbraw/zinc/22/30/57/191223057.db2.gz XCERONDNKOSEHQ-KRWDZBQOSA-N 2 1 317.477 3.130 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000173441859 198215152 /nfs/dbraw/zinc/21/51/52/198215152.db2.gz QFYRNAHJMMKCNO-CQSZACIVSA-N 2 1 317.433 3.340 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000131245332 432033510 /nfs/dbraw/zinc/03/35/10/432033510.db2.gz NCESDQPGUUEHHI-ABAIWWIYSA-N 2 1 301.261 3.466 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277091979 213287449 /nfs/dbraw/zinc/28/74/49/213287449.db2.gz RWNHDNKUCLJTOL-HZPDHXFCSA-N 2 1 323.799 3.104 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000163563588 432035442 /nfs/dbraw/zinc/03/54/42/432035442.db2.gz NOLYUVGJPQRVBQ-XLIONFOSSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000163563588 432035444 /nfs/dbraw/zinc/03/54/44/432035444.db2.gz NOLYUVGJPQRVBQ-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000163563588 432035449 /nfs/dbraw/zinc/03/54/49/432035449.db2.gz NOLYUVGJPQRVBQ-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)[C@H](C)C1 ZINC000163563588 432035453 /nfs/dbraw/zinc/03/54/53/432035453.db2.gz NOLYUVGJPQRVBQ-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164976179 432053049 /nfs/dbraw/zinc/05/30/49/432053049.db2.gz CJIANVIUSHJFEW-OVWQWFNUSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164976179 432053050 /nfs/dbraw/zinc/05/30/50/432053050.db2.gz CJIANVIUSHJFEW-OVWQWFNUSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164976179 432053053 /nfs/dbraw/zinc/05/30/53/432053053.db2.gz CJIANVIUSHJFEW-OVWQWFNUSA-N 2 1 321.534 3.061 20 0 DGADMP CCC[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165339747 432055510 /nfs/dbraw/zinc/05/55/10/432055510.db2.gz QMAUDCSMNXEGOE-MRXNPFEDSA-N 2 1 314.433 3.121 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCCn2cc(C)cn2)C1 ZINC000081516633 192277551 /nfs/dbraw/zinc/27/75/51/192277551.db2.gz XJIRVUHMTQVVDC-GOSISDBHSA-N 2 1 306.498 3.026 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000081516633 192277553 /nfs/dbraw/zinc/27/75/53/192277553.db2.gz XJIRVUHMTQVVDC-GOSISDBHSA-N 2 1 306.498 3.026 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCCn2cc(C)cn2)C1 ZINC000081516633 192277555 /nfs/dbraw/zinc/27/75/55/192277555.db2.gz XJIRVUHMTQVVDC-GOSISDBHSA-N 2 1 306.498 3.026 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000168680341 432069811 /nfs/dbraw/zinc/06/98/11/432069811.db2.gz GWOGAKXUEQNYPM-GOSISDBHSA-N 2 1 322.493 3.318 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1F ZINC000180577253 199179055 /nfs/dbraw/zinc/17/90/55/199179055.db2.gz MUXNWQJKIDHUGA-KXBFYZLASA-N 2 1 320.452 3.367 20 0 DGADMP Cc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)c(C)c(C)[nH+]1 ZINC000180044582 432077013 /nfs/dbraw/zinc/07/70/13/432077013.db2.gz SCLQHFJFLZUYSX-UHFFFAOYSA-N 2 1 311.433 3.125 20 0 DGADMP CCn1nccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000180182522 432080489 /nfs/dbraw/zinc/08/04/89/432080489.db2.gz LRZXBPTVHBTSRU-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000180170390 432080466 /nfs/dbraw/zinc/08/04/66/432080466.db2.gz ZPBNZTCPIZZXHC-LWYYNNOASA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415076376 237059479 /nfs/dbraw/zinc/05/94/79/237059479.db2.gz GIWCFQSJMAAJJS-SNPRPXQTSA-N 2 1 316.367 3.037 20 0 DGADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000415129107 237101446 /nfs/dbraw/zinc/10/14/46/237101446.db2.gz YQWOGQOVJMZQIG-FQEVSTJZSA-N 2 1 315.505 3.294 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000415128870 237102306 /nfs/dbraw/zinc/10/23/06/237102306.db2.gz OLQZBGODAHTEAK-OCCSQVGLSA-N 2 1 318.852 3.147 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187842023 200165032 /nfs/dbraw/zinc/16/50/32/200165032.db2.gz COROSCVRQCLJMP-PMACEKPBSA-N 2 1 316.489 3.197 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@@H+]1Cc1ccccc1 ZINC000188581923 200270585 /nfs/dbraw/zinc/27/05/85/200270585.db2.gz OIBYGRFJDPLJKB-UHOSZYNNSA-N 2 1 300.446 3.322 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@H+]1Cc1ccccc1 ZINC000188581923 200270587 /nfs/dbraw/zinc/27/05/87/200270587.db2.gz OIBYGRFJDPLJKB-UHOSZYNNSA-N 2 1 300.446 3.322 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189068173 200344087 /nfs/dbraw/zinc/34/40/87/200344087.db2.gz DXLFGRXPOMKMEL-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423029757 237818758 /nfs/dbraw/zinc/81/87/58/237818758.db2.gz VIUNZYCKCNRHDF-CEXWTWQISA-N 2 1 302.462 3.011 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCCOCc1ccccc1)CC[NH2+]CC2 ZINC000424302377 237890962 /nfs/dbraw/zinc/89/09/62/237890962.db2.gz ZHXKNMGKQIGWFX-KRWDZBQOSA-N 2 1 302.462 3.057 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccccc1F ZINC000281173279 216129240 /nfs/dbraw/zinc/12/92/40/216129240.db2.gz GZIMKZVVVBRCJD-UHFFFAOYSA-N 2 1 316.424 3.134 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccccc1F ZINC000281173279 216129242 /nfs/dbraw/zinc/12/92/42/216129242.db2.gz GZIMKZVVVBRCJD-UHFFFAOYSA-N 2 1 316.424 3.134 20 0 DGADMP Fc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134897829 432089106 /nfs/dbraw/zinc/08/91/06/432089106.db2.gz NYLRNHPSKWGEAF-CRAIPNDOSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134897829 432089108 /nfs/dbraw/zinc/08/91/08/432089108.db2.gz NYLRNHPSKWGEAF-CRAIPNDOSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134897829 432089110 /nfs/dbraw/zinc/08/91/10/432089110.db2.gz NYLRNHPSKWGEAF-CRAIPNDOSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134897829 432089113 /nfs/dbraw/zinc/08/91/13/432089113.db2.gz NYLRNHPSKWGEAF-CRAIPNDOSA-N 2 1 318.436 3.153 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428849680 238032330 /nfs/dbraw/zinc/03/23/30/238032330.db2.gz JEWVSUPLSNWUFK-NSHDSACASA-N 2 1 318.421 3.366 20 0 DGADMP Cc1ccoc1C[NH+](C)CCOCC[N@H+](C)Cc1occc1C ZINC000429397257 238050836 /nfs/dbraw/zinc/05/08/36/238050836.db2.gz IDAMTMWJYUVQNJ-UHFFFAOYSA-N 2 1 320.433 3.070 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545368 238079275 /nfs/dbraw/zinc/07/92/75/238079275.db2.gz QAIPBRHNTMKZQS-GXTWGEPZSA-N 2 1 303.381 3.040 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545368 238079276 /nfs/dbraw/zinc/07/92/76/238079276.db2.gz QAIPBRHNTMKZQS-GXTWGEPZSA-N 2 1 303.381 3.040 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2)n1 ZINC000430608106 238081183 /nfs/dbraw/zinc/08/11/83/238081183.db2.gz DOBCTNVHIUGVNV-APWZRJJASA-N 2 1 312.461 3.191 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2)n1 ZINC000430608106 238081184 /nfs/dbraw/zinc/08/11/84/238081184.db2.gz DOBCTNVHIUGVNV-APWZRJJASA-N 2 1 312.461 3.191 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601876 238081609 /nfs/dbraw/zinc/08/16/09/238081609.db2.gz VIAFDEMEDLSJNJ-NWDGAFQWSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430601876 238081610 /nfs/dbraw/zinc/08/16/10/238081610.db2.gz VIAFDEMEDLSJNJ-NWDGAFQWSA-N 2 1 317.260 3.431 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000281260577 216193597 /nfs/dbraw/zinc/19/35/97/216193597.db2.gz WMOQKGUCMHFRTL-KDOFPFPSSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430917370 238089878 /nfs/dbraw/zinc/08/98/78/238089878.db2.gz JTXBOSQDTUJILS-BEFAXECRSA-N 2 1 323.440 3.108 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)(C)C ZINC000433340013 238156572 /nfs/dbraw/zinc/15/65/72/238156572.db2.gz NUBDNJCBCOJJAJ-INIZCTEOSA-N 2 1 304.438 3.126 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807196 432092365 /nfs/dbraw/zinc/09/23/65/432092365.db2.gz UOGQJDGARNAYKW-IBGZPJMESA-N 2 1 317.477 3.189 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000442754369 239117190 /nfs/dbraw/zinc/11/71/90/239117190.db2.gz IEBFFYMDKRUVOR-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000442754374 239117390 /nfs/dbraw/zinc/11/73/90/239117390.db2.gz IEBFFYMDKRUVOR-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C2CCCCC2)n1 ZINC000442929558 239153708 /nfs/dbraw/zinc/15/37/08/239153708.db2.gz RPQJTPXKFIJIKF-OAHLLOKOSA-N 2 1 304.482 3.029 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000442931190 239154296 /nfs/dbraw/zinc/15/42/96/239154296.db2.gz VKOGPKFTNDQVNL-LBPRGKRZSA-N 2 1 307.488 3.432 20 0 DGADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443057356 239169092 /nfs/dbraw/zinc/16/90/92/239169092.db2.gz GKQCMIYXMIROAD-HUUCEWRRSA-N 2 1 314.433 3.167 20 0 DGADMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000443989327 239245645 /nfs/dbraw/zinc/24/56/45/239245645.db2.gz OYAWBPBKRKILST-HNNXBMFYSA-N 2 1 310.869 3.239 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000246151744 432100600 /nfs/dbraw/zinc/10/06/00/432100600.db2.gz HQLDNYBOVFZKKE-ZIFCJYIRSA-N 2 1 306.494 3.306 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(C)c2)[C@H](C)C1 ZINC000449138097 240035424 /nfs/dbraw/zinc/03/54/24/240035424.db2.gz HFHPKOOPQKNPQY-PBHICJAKSA-N 2 1 310.507 3.283 20 0 DGADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449079009 240006847 /nfs/dbraw/zinc/00/68/47/240006847.db2.gz NMSXIEKMFBFFTK-LJQANCHMSA-N 2 1 309.542 3.353 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449224077 240076914 /nfs/dbraw/zinc/07/69/14/240076914.db2.gz ZPIJSAOTPWAZLA-UHFFFAOYSA-N 2 1 318.440 3.048 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)co2)CC1 ZINC000171109404 432104341 /nfs/dbraw/zinc/10/43/41/432104341.db2.gz ZZBMMWNZPUULCP-UHFFFAOYSA-N 2 1 322.449 3.010 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000449228184 240079638 /nfs/dbraw/zinc/07/96/38/240079638.db2.gz XUKFLSHSUROAPY-MRXNPFEDSA-N 2 1 302.466 3.231 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cccc12 ZINC000449337916 240140402 /nfs/dbraw/zinc/14/04/02/240140402.db2.gz DHZSJRTWYGITPP-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cccc12 ZINC000449337916 240140404 /nfs/dbraw/zinc/14/04/04/240140404.db2.gz DHZSJRTWYGITPP-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cccc12 ZINC000449337916 240140408 /nfs/dbraw/zinc/14/04/08/240140408.db2.gz DHZSJRTWYGITPP-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(C)cc3C)CC2)CC1 ZINC000449380797 240165047 /nfs/dbraw/zinc/16/50/47/240165047.db2.gz WYHZGNBUUHGBLV-UHFFFAOYSA-N 2 1 316.489 3.035 20 0 DGADMP CCOC(=O)C1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449382342 240167986 /nfs/dbraw/zinc/16/79/86/240167986.db2.gz CEYRHVLCEXKMDL-ABHNRTSZSA-N 2 1 324.509 3.208 20 0 DGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000449325654 240131133 /nfs/dbraw/zinc/13/11/33/240131133.db2.gz OMOASTRBLLPJPX-KRWDZBQOSA-N 2 1 313.445 3.444 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449482150 240232343 /nfs/dbraw/zinc/23/23/43/240232343.db2.gz ASEGFHULTRQOFX-SJORKVTESA-N 2 1 304.453 3.468 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449578934 240302033 /nfs/dbraw/zinc/30/20/33/240302033.db2.gz UINXWFUVYKREQJ-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000246196472 432105289 /nfs/dbraw/zinc/10/52/89/432105289.db2.gz IMPRJFZQAKTBJD-DLBZAZTESA-N 2 1 304.478 3.433 20 0 DGADMP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000246196484 432105422 /nfs/dbraw/zinc/10/54/22/432105422.db2.gz IMPRJFZQAKTBJD-IAGOWNOFSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560625 240289113 /nfs/dbraw/zinc/28/91/13/240289113.db2.gz NPHYUURLPXKTRI-WZYMTQMTSA-N 2 1 312.461 3.099 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)[C@@H](C)C1 ZINC000449623278 240327353 /nfs/dbraw/zinc/32/73/53/240327353.db2.gz LLHYQTCCYZEJGO-XUWVNRHRSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000449724185 240384153 /nfs/dbraw/zinc/38/41/53/240384153.db2.gz MLWIDWMCVLXMQM-FUHWJXTLSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000449724185 240384158 /nfs/dbraw/zinc/38/41/58/240384158.db2.gz MLWIDWMCVLXMQM-FUHWJXTLSA-N 2 1 318.505 3.426 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC000449596194 240312262 /nfs/dbraw/zinc/31/22/62/240312262.db2.gz ABBZEYCUNMKOAY-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC000449596194 240312267 /nfs/dbraw/zinc/31/22/67/240312267.db2.gz ABBZEYCUNMKOAY-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091333152 193041429 /nfs/dbraw/zinc/04/14/29/193041429.db2.gz GSWSZCUWGVQGJB-FQEVSTJZSA-N 2 1 315.505 3.001 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Br ZINC000092001079 193139185 /nfs/dbraw/zinc/13/91/85/193139185.db2.gz ATMREDVLLLKWPZ-OCCSQVGLSA-N 2 1 311.267 3.330 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc(CCc2ccccc2)s1)C[NH+](C)C ZINC000451171626 241031422 /nfs/dbraw/zinc/03/14/22/241031422.db2.gz JQSVXXQWWFTGOQ-OAHLLOKOSA-N 2 1 317.502 3.216 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180980834 432110036 /nfs/dbraw/zinc/11/00/36/432110036.db2.gz OFDMLYLVYSEZEZ-PYTWLRIVSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180980834 432110039 /nfs/dbraw/zinc/11/00/39/432110039.db2.gz OFDMLYLVYSEZEZ-PYTWLRIVSA-N 2 1 310.869 3.488 20 0 DGADMP C[C@@H]([NH2+]C1(C[NH2+]CC2(C)COC2)CCCC1)c1ccccc1 ZINC000286536706 296112542 /nfs/dbraw/zinc/11/25/42/296112542.db2.gz OAFLNZPDEAIECD-MRXNPFEDSA-N 2 1 302.462 3.276 20 0 DGADMP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459446980 243374700 /nfs/dbraw/zinc/37/47/00/243374700.db2.gz QGTDSUYTMOKYNQ-VQTJNVASSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(CO[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459446974 243375330 /nfs/dbraw/zinc/37/53/30/243375330.db2.gz QGTDSUYTMOKYNQ-PMACEKPBSA-N 2 1 314.473 3.341 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459435167 243368392 /nfs/dbraw/zinc/36/83/92/243368392.db2.gz WPIYPLFBQFZVPQ-FZMZJTMJSA-N 2 1 318.490 3.154 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000459435167 243368395 /nfs/dbraw/zinc/36/83/95/243368395.db2.gz WPIYPLFBQFZVPQ-FZMZJTMJSA-N 2 1 318.490 3.154 20 0 DGADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1C ZINC000469027600 244081141 /nfs/dbraw/zinc/08/11/41/244081141.db2.gz NDBLZFBBGFBADL-QZTJIDSGSA-N 2 1 303.494 3.141 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OCCC(C)C ZINC000469860076 244130019 /nfs/dbraw/zinc/13/00/19/244130019.db2.gz FAUTXVGPRJJJEG-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000469866857 244130186 /nfs/dbraw/zinc/13/01/86/244130186.db2.gz OUWGMMIUUNSDOG-SJLPKXTDSA-N 2 1 310.441 3.435 20 0 DGADMP COC1CC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000470260537 244163280 /nfs/dbraw/zinc/16/32/80/244163280.db2.gz DMCWFWVRVFFMPX-BJMVHTGZSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-c2ccncc2)cc1 ZINC000471757058 244241439 /nfs/dbraw/zinc/24/14/39/244241439.db2.gz GKTIOOJIDNRHOL-OAHLLOKOSA-N 2 1 306.413 3.375 20 0 DGADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858376 244259111 /nfs/dbraw/zinc/25/91/11/244259111.db2.gz HFBFGGSNCVGURP-TZIWHRDSSA-N 2 1 323.484 3.441 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000472350428 244302740 /nfs/dbraw/zinc/30/27/40/244302740.db2.gz QFFUZTGMXWKACH-UXHICEINSA-N 2 1 309.457 3.254 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCOCCc2ccccc2)CC1 ZINC000119607567 284146756 /nfs/dbraw/zinc/14/67/56/284146756.db2.gz VRIIAPXCGPZENJ-UHFFFAOYSA-N 2 1 318.505 3.442 20 0 DGADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564106 193269878 /nfs/dbraw/zinc/26/98/78/193269878.db2.gz ULQHAJVKTNNVQF-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564106 193269880 /nfs/dbraw/zinc/26/98/80/193269880.db2.gz ULQHAJVKTNNVQF-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093693469 193291002 /nfs/dbraw/zinc/29/10/02/193291002.db2.gz XEIOLLPLFOFBMJ-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093693469 193291005 /nfs/dbraw/zinc/29/10/05/193291005.db2.gz XEIOLLPLFOFBMJ-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659974 193284897 /nfs/dbraw/zinc/28/48/97/193284897.db2.gz OVQJZGJGUNBNTR-GOSISDBHSA-N 2 1 312.461 3.383 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659974 193284899 /nfs/dbraw/zinc/28/48/99/193284899.db2.gz OVQJZGJGUNBNTR-GOSISDBHSA-N 2 1 312.461 3.383 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659974 193284901 /nfs/dbraw/zinc/28/49/01/193284901.db2.gz OVQJZGJGUNBNTR-GOSISDBHSA-N 2 1 312.461 3.383 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659974 193284902 /nfs/dbraw/zinc/28/49/02/193284902.db2.gz OVQJZGJGUNBNTR-GOSISDBHSA-N 2 1 312.461 3.383 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246340213 432121201 /nfs/dbraw/zinc/12/12/01/432121201.db2.gz GVRPLOVXHNKBDC-YOEHRIQHSA-N 2 1 310.869 3.177 20 0 DGADMP Fc1cc(Br)cc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000093982305 193333924 /nfs/dbraw/zinc/33/39/24/193333924.db2.gz GXNYOBIZFSWZEC-UHFFFAOYSA-N 2 1 315.230 3.164 20 0 DGADMP Cc1ccc(-c2ncc(CN(C)C[C@H]3CC[N@@H+](C)C3)s2)o1 ZINC000120910485 284181422 /nfs/dbraw/zinc/18/14/22/284181422.db2.gz VLPXBJZRJRROML-ZDUSSCGKSA-N 2 1 305.447 3.095 20 0 DGADMP C[C@@H]1C[C@H](NCc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122295762 284216540 /nfs/dbraw/zinc/21/65/40/284216540.db2.gz AFTGCJGRTSNTBZ-RISCZKNCSA-N 2 1 309.251 3.164 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000488362170 245180534 /nfs/dbraw/zinc/18/05/34/245180534.db2.gz CCHRSZNWVMIPGD-AZUAARDMSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282462634 217013296 /nfs/dbraw/zinc/01/32/96/217013296.db2.gz OQPRGLPYVKOMFP-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282462634 217013298 /nfs/dbraw/zinc/01/32/98/217013298.db2.gz OQPRGLPYVKOMFP-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268705309 432123746 /nfs/dbraw/zinc/12/37/46/432123746.db2.gz IARMFGOZIYGPSL-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268705309 432123749 /nfs/dbraw/zinc/12/37/49/432123749.db2.gz IARMFGOZIYGPSL-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCOC1 ZINC000124260720 284255657 /nfs/dbraw/zinc/25/56/57/284255657.db2.gz YFESBKXIPSHZBX-FRYIKTPZSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCOC1 ZINC000124260720 284255661 /nfs/dbraw/zinc/25/56/61/284255661.db2.gz YFESBKXIPSHZBX-FRYIKTPZSA-N 2 1 316.489 3.302 20 0 DGADMP C[NH+](C)C1(CNc2cc[nH+]c3cc(Cl)ccc23)CCOCC1 ZINC000265020942 204347346 /nfs/dbraw/zinc/34/73/46/204347346.db2.gz HEBVKKIRMUXUGF-UHFFFAOYSA-N 2 1 319.836 3.411 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126289585 284299891 /nfs/dbraw/zinc/29/98/91/284299891.db2.gz CZBLZRLRRMRJKC-HNNXBMFYSA-N 3 1 312.461 3.173 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(C)c1 ZINC000246386358 432125398 /nfs/dbraw/zinc/12/53/98/432125398.db2.gz AKKPIQXBCIYILI-YQVWRLOYSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282591114 217110297 /nfs/dbraw/zinc/11/02/97/217110297.db2.gz WZSDPESQUPDHFM-SFHVURJKSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282591114 217110299 /nfs/dbraw/zinc/11/02/99/217110299.db2.gz WZSDPESQUPDHFM-SFHVURJKSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282591111 217110310 /nfs/dbraw/zinc/11/03/10/217110310.db2.gz WZSDPESQUPDHFM-GOSISDBHSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282591111 217110313 /nfs/dbraw/zinc/11/03/13/217110313.db2.gz WZSDPESQUPDHFM-GOSISDBHSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000126868501 284319254 /nfs/dbraw/zinc/31/92/54/284319254.db2.gz JOBSYYIJISPJLV-BQFCYCMXSA-N 2 1 322.518 3.365 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000126868501 284319258 /nfs/dbraw/zinc/31/92/58/284319258.db2.gz JOBSYYIJISPJLV-BQFCYCMXSA-N 2 1 322.518 3.365 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268726980 432127405 /nfs/dbraw/zinc/12/74/05/432127405.db2.gz RKBPTCYIAOKYEW-MJGOQNOKSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268726980 432127407 /nfs/dbraw/zinc/12/74/07/432127407.db2.gz RKBPTCYIAOKYEW-MJGOQNOKSA-N 2 1 304.478 3.444 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1 ZINC000182633053 284355099 /nfs/dbraw/zinc/35/50/99/284355099.db2.gz FTNUKPCVNDMOTK-OAHLLOKOSA-N 2 1 320.477 3.348 20 0 DGADMP FC(F)COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000266198692 205176600 /nfs/dbraw/zinc/17/66/00/205176600.db2.gz KLEMIMXYDDAVQK-UHFFFAOYSA-N 2 1 324.415 3.437 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000266231012 205202720 /nfs/dbraw/zinc/20/27/20/205202720.db2.gz UQMBMNOBTISSHN-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000282978746 217366627 /nfs/dbraw/zinc/36/66/27/217366627.db2.gz LWRTXGWKGHYAMS-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000282978746 217366629 /nfs/dbraw/zinc/36/66/29/217366629.db2.gz LWRTXGWKGHYAMS-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268774824 432131579 /nfs/dbraw/zinc/13/15/79/432131579.db2.gz AVUQXXLEAAGDNV-HNNXBMFYSA-N 2 1 301.434 3.201 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000495045383 246226408 /nfs/dbraw/zinc/22/64/08/246226408.db2.gz LWEWFWKBWYMWNQ-OHQAAIJDSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@H+]1C ZINC000495045383 246226410 /nfs/dbraw/zinc/22/64/10/246226410.db2.gz LWEWFWKBWYMWNQ-OHQAAIJDSA-N 2 1 320.452 3.366 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000495125731 246238643 /nfs/dbraw/zinc/23/86/43/246238643.db2.gz CBSGFXVZPLPIJX-PKOBYXMFSA-N 2 1 302.462 3.247 20 0 DGADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000496220408 246367431 /nfs/dbraw/zinc/36/74/31/246367431.db2.gz XQOKSLGMHTUJHW-IAGOWNOFSA-N 2 1 311.385 3.099 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000271844194 209261949 /nfs/dbraw/zinc/26/19/49/209261949.db2.gz HMIJZOZZBKWUFQ-GFCCVEGCSA-N 2 1 314.351 3.498 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@@H](C)C1 ZINC000246582160 432146072 /nfs/dbraw/zinc/14/60/72/432146072.db2.gz YSQSGGXDCMAWLT-XJKSGUPXSA-N 2 1 312.404 3.150 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284060354 217865538 /nfs/dbraw/zinc/86/55/38/217865538.db2.gz AIOXDFSOKULTCV-HXUWFJFHSA-N 2 1 316.489 3.017 20 0 DGADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000154895385 197003516 /nfs/dbraw/zinc/00/35/16/197003516.db2.gz PHGOIQIBSGYXIJ-WBVHZDCISA-N 2 1 320.477 3.099 20 0 DGADMP CC(C)[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285396134 218414310 /nfs/dbraw/zinc/41/43/10/218414310.db2.gz WYDJDWKCTFEAEH-ACBHZAAOSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000268835774 207000117 /nfs/dbraw/zinc/00/01/17/207000117.db2.gz UFEXAHRTMSNJFI-VIFPVBQESA-N 2 1 314.252 3.366 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@H](C)C1 ZINC000268834625 207000913 /nfs/dbraw/zinc/00/09/13/207000913.db2.gz UCFWORITCMGHFC-WBVHZDCISA-N 2 1 302.462 3.047 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268836413 207000925 /nfs/dbraw/zinc/00/09/25/207000925.db2.gz LYTWTASXEHIVDI-YTQUADARSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268836413 207000927 /nfs/dbraw/zinc/00/09/27/207000927.db2.gz LYTWTASXEHIVDI-YTQUADARSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268891697 207062174 /nfs/dbraw/zinc/06/21/74/207062174.db2.gz DDEZIUIBDMBFCQ-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1Cc1ccccc1 ZINC000268891697 207062179 /nfs/dbraw/zinc/06/21/79/207062179.db2.gz DDEZIUIBDMBFCQ-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000100 207155509 /nfs/dbraw/zinc/15/55/09/207155509.db2.gz OUZJPTFYHQTVIC-VQIMIIECSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000100 207155512 /nfs/dbraw/zinc/15/55/12/207155512.db2.gz OUZJPTFYHQTVIC-VQIMIIECSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000100 207155513 /nfs/dbraw/zinc/15/55/13/207155513.db2.gz OUZJPTFYHQTVIC-VQIMIIECSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000269000100 207155517 /nfs/dbraw/zinc/15/55/17/207155517.db2.gz OUZJPTFYHQTVIC-VQIMIIECSA-N 2 1 311.429 3.258 20 0 DGADMP COC1(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000294555160 224086670 /nfs/dbraw/zinc/08/66/70/224086670.db2.gz LBOJHQMMDXQKLB-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248660844 285015785 /nfs/dbraw/zinc/01/57/85/285015785.db2.gz WOGPBABNSGSJMM-RCCFBDPRSA-N 2 1 316.514 3.382 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@@H](C)C1 ZINC000248643241 285013434 /nfs/dbraw/zinc/01/34/34/285013434.db2.gz PFYYEVKXACLEHV-KBXCAEBGSA-N 2 1 317.452 3.180 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430555166 532984083 /nfs/dbraw/zinc/98/40/83/532984083.db2.gz SDNUMRJBSAUYLK-CHWSQXEVSA-N 2 1 316.367 3.143 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3occc32)C[C@H](C)O1 ZINC000248887224 285036281 /nfs/dbraw/zinc/03/62/81/285036281.db2.gz MMRDYQFXMUAFLV-UXLLHSPISA-N 2 1 306.450 3.136 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000249108153 285056267 /nfs/dbraw/zinc/05/62/67/285056267.db2.gz QDJZXYDBFROAMX-CEXWTWQISA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC(F)F ZINC000336853780 253007707 /nfs/dbraw/zinc/00/77/07/253007707.db2.gz KAXABHPGBCSZQK-CYBMUJFWSA-N 2 1 316.392 3.102 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249575699 285081085 /nfs/dbraw/zinc/08/10/85/285081085.db2.gz PMZBYSKBCRVGKK-NQIIRXRSSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249575699 285081090 /nfs/dbraw/zinc/08/10/90/285081090.db2.gz PMZBYSKBCRVGKK-NQIIRXRSSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249575699 285081092 /nfs/dbraw/zinc/08/10/92/285081092.db2.gz PMZBYSKBCRVGKK-NQIIRXRSSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249575699 285081096 /nfs/dbraw/zinc/08/10/96/285081096.db2.gz PMZBYSKBCRVGKK-NQIIRXRSSA-N 2 1 324.468 3.316 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249595251 285082248 /nfs/dbraw/zinc/08/22/48/285082248.db2.gz PQUYNTVIJMRWQQ-HOTGVXAUSA-N 2 1 322.518 3.296 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337332002 253089579 /nfs/dbraw/zinc/08/95/79/253089579.db2.gz HWLHDKSFRIFRNP-ZHALLVOQSA-N 2 1 301.478 3.429 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)COC(C)C)cc1F ZINC000337333649 253090377 /nfs/dbraw/zinc/09/03/77/253090377.db2.gz JWYODSTYLCYWSB-CYBMUJFWSA-N 2 1 305.397 3.223 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000337344209 253092716 /nfs/dbraw/zinc/09/27/16/253092716.db2.gz SZRGSOJMBXQVNJ-LMMKCTJWSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000337344209 253092717 /nfs/dbraw/zinc/09/27/17/253092717.db2.gz SZRGSOJMBXQVNJ-LMMKCTJWSA-N 2 1 304.478 3.300 20 0 DGADMP COc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1F ZINC000337567918 253140894 /nfs/dbraw/zinc/14/08/94/253140894.db2.gz ZLWLCBZESAOZHN-SMOPSLFNSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1F ZINC000337567918 253140897 /nfs/dbraw/zinc/14/08/97/253140897.db2.gz ZLWLCBZESAOZHN-SMOPSLFNSA-N 2 1 306.425 3.153 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000338016815 253211189 /nfs/dbraw/zinc/21/11/89/253211189.db2.gz ZEMMASSATUWSQS-IBGZPJMESA-N 2 1 315.461 3.413 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000337947793 253198395 /nfs/dbraw/zinc/19/83/95/253198395.db2.gz BFWFQDHTOBEKRK-UHFFFAOYSA-N 2 1 309.417 3.070 20 0 DGADMP C[C@H](OCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000252643764 285103178 /nfs/dbraw/zinc/10/31/78/285103178.db2.gz GIESOWGBRPJLJG-MJQMVNBJSA-N 2 1 304.478 3.473 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338196253 253240828 /nfs/dbraw/zinc/24/08/28/253240828.db2.gz OHYOXGPAJNXIDX-LJQANCHMSA-N 2 1 312.461 3.082 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000338271002 253253050 /nfs/dbraw/zinc/25/30/50/253253050.db2.gz QUNWXTNHOZTWLD-KRWDZBQOSA-N 2 1 314.477 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000338289318 253258240 /nfs/dbraw/zinc/25/82/40/253258240.db2.gz ZCYAXWLSLAYXQK-UHFFFAOYSA-N 2 1 324.428 3.276 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000338289318 253258241 /nfs/dbraw/zinc/25/82/41/253258241.db2.gz ZCYAXWLSLAYXQK-UHFFFAOYSA-N 2 1 324.428 3.276 20 0 DGADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000338294649 253259416 /nfs/dbraw/zinc/25/94/16/253259416.db2.gz KSSZPFQDLDXDRF-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP C[C@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000338217386 253244397 /nfs/dbraw/zinc/24/43/97/253244397.db2.gz QXAVHIFNFYUAJS-YLJYHZDGSA-N 2 1 324.472 3.082 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)ccc(O)c2n1 ZINC000338351544 253271061 /nfs/dbraw/zinc/27/10/61/253271061.db2.gz FIOCKEUOHGSNFF-INIZCTEOSA-N 2 1 313.445 3.165 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000158886723 197308577 /nfs/dbraw/zinc/30/85/77/197308577.db2.gz WCVYYDTZRLJXIG-MPGHIAIKSA-N 2 1 317.477 3.244 20 0 DGADMP COC1(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCC1 ZINC000339009373 253389609 /nfs/dbraw/zinc/38/96/09/253389609.db2.gz BFDWXYUPKOYEFE-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP O[C@H](CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000286474080 219007861 /nfs/dbraw/zinc/00/78/61/219007861.db2.gz PJLGCWAXWZXOSB-RTBURBONSA-N 2 1 302.462 3.060 20 0 DGADMP Cc1ccnc(OC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000272894715 210282573 /nfs/dbraw/zinc/28/25/73/210282573.db2.gz FJEKGELXZOAFMW-QGZVFWFLSA-N 2 1 317.477 3.108 20 0 DGADMP Cc1ccnc(OC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000272894715 210282575 /nfs/dbraw/zinc/28/25/75/210282575.db2.gz FJEKGELXZOAFMW-QGZVFWFLSA-N 2 1 317.477 3.108 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000286512877 219029605 /nfs/dbraw/zinc/02/96/05/219029605.db2.gz QHTAWLPBOLNUSF-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000286512877 219029607 /nfs/dbraw/zinc/02/96/07/219029607.db2.gz QHTAWLPBOLNUSF-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000286512877 219029609 /nfs/dbraw/zinc/02/96/09/219029609.db2.gz QHTAWLPBOLNUSF-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000286512877 219029611 /nfs/dbraw/zinc/02/96/11/219029611.db2.gz QHTAWLPBOLNUSF-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CC(C)[NH+](CCCNc1cc[nH+]cc1Br)C(C)C ZINC000342784234 254049719 /nfs/dbraw/zinc/04/97/19/254049719.db2.gz JTTYUQSRIKFUJU-UHFFFAOYSA-N 2 1 314.271 3.187 20 0 DGADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034130 254089076 /nfs/dbraw/zinc/08/90/76/254089076.db2.gz MHRQJTOMJCPNBY-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034130 254089079 /nfs/dbraw/zinc/08/90/79/254089079.db2.gz MHRQJTOMJCPNBY-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000343467136 254148104 /nfs/dbraw/zinc/14/81/04/254148104.db2.gz JZRRIKFRLJLRIK-KURKYZTESA-N 2 1 301.478 3.346 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000343505420 254152996 /nfs/dbraw/zinc/15/29/96/254152996.db2.gz DVOINKGLYRVFSK-UHFFFAOYSA-N 2 1 319.399 3.196 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000343600840 254166082 /nfs/dbraw/zinc/16/60/82/254166082.db2.gz FKAOEUIYJXUAHG-KRWDZBQOSA-N 2 1 319.424 3.414 20 0 DGADMP CCCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000343604991 254166618 /nfs/dbraw/zinc/16/66/18/254166618.db2.gz OSRSEFWBWLZWNK-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000343604991 254166619 /nfs/dbraw/zinc/16/66/19/254166619.db2.gz OSRSEFWBWLZWNK-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000343612346 254167942 /nfs/dbraw/zinc/16/79/42/254167942.db2.gz GSYAEZZDYBYZLO-UHFFFAOYSA-N 2 1 302.462 3.318 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000343612346 254167943 /nfs/dbraw/zinc/16/79/43/254167943.db2.gz GSYAEZZDYBYZLO-UHFFFAOYSA-N 2 1 302.462 3.318 20 0 DGADMP CCCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000343922611 254202858 /nfs/dbraw/zinc/20/28/58/254202858.db2.gz HSDSCESNOMTIMD-LJQANCHMSA-N 2 1 304.478 3.354 20 0 DGADMP CCC1(CC)[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H](C)[C@@H]1OC ZINC000344082493 254222541 /nfs/dbraw/zinc/22/25/41/254222541.db2.gz ZEJOACISRFVOHX-OIISXLGYSA-N 2 1 307.482 3.401 20 0 DGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664896 254294197 /nfs/dbraw/zinc/29/41/97/254294197.db2.gz IZHNEYSHMHERLQ-MJGOQNOKSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664896 254294198 /nfs/dbraw/zinc/29/41/98/254294198.db2.gz IZHNEYSHMHERLQ-MJGOQNOKSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664896 254294199 /nfs/dbraw/zinc/29/41/99/254294199.db2.gz IZHNEYSHMHERLQ-MJGOQNOKSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@H](NCc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664929 254294492 /nfs/dbraw/zinc/29/44/92/254294492.db2.gz JMCGNSTZLUVYAV-DGCLKSJQSA-N 2 1 307.488 3.444 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(C)CCOC1 ZINC000344381911 254264172 /nfs/dbraw/zinc/26/41/72/254264172.db2.gz NJCYLPSRJXSESY-LJQANCHMSA-N 2 1 304.478 3.161 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344528609 254279972 /nfs/dbraw/zinc/27/99/72/254279972.db2.gz MGJMBNFHTNJAMJ-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344528609 254279974 /nfs/dbraw/zinc/27/99/74/254279974.db2.gz MGJMBNFHTNJAMJ-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000345050483 254326643 /nfs/dbraw/zinc/32/66/43/254326643.db2.gz MWAIOEJYBAZSCN-SJLPKXTDSA-N 2 1 317.477 3.154 20 0 DGADMP Cc1c([C@H](C)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cnn1C(C)(C)C ZINC000345320489 254353263 /nfs/dbraw/zinc/35/32/63/254353263.db2.gz YUXPWHIROPXMSZ-IIYDPXPESA-N 2 1 304.482 3.080 20 0 DGADMP Cc1c([C@H](C)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cnn1C(C)(C)C ZINC000345320489 254353264 /nfs/dbraw/zinc/35/32/64/254353264.db2.gz YUXPWHIROPXMSZ-IIYDPXPESA-N 2 1 304.482 3.080 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272367416 285210847 /nfs/dbraw/zinc/21/08/47/285210847.db2.gz ARVQZSUIUZHVQI-YRPNKDGESA-N 2 1 316.489 3.179 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737313 224202468 /nfs/dbraw/zinc/20/24/68/224202468.db2.gz HDFVISDWNKUKQL-GLJUWKHASA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737313 224202471 /nfs/dbraw/zinc/20/24/71/224202471.db2.gz HDFVISDWNKUKQL-GLJUWKHASA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737313 224202473 /nfs/dbraw/zinc/20/24/73/224202473.db2.gz HDFVISDWNKUKQL-GLJUWKHASA-N 2 1 308.416 3.484 20 0 DGADMP COc1ccc([C@@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289626068 221111752 /nfs/dbraw/zinc/11/17/52/221111752.db2.gz LSJRIJPDTJUMMK-QTXGHNMQSA-N 2 1 302.462 3.356 20 0 DGADMP COc1ccc([C@@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289626068 221111755 /nfs/dbraw/zinc/11/17/55/221111755.db2.gz LSJRIJPDTJUMMK-QTXGHNMQSA-N 2 1 302.462 3.356 20 0 DGADMP COc1ccc([C@@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289626068 221111757 /nfs/dbraw/zinc/11/17/57/221111757.db2.gz LSJRIJPDTJUMMK-QTXGHNMQSA-N 2 1 302.462 3.356 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000289786575 221224128 /nfs/dbraw/zinc/22/41/28/221224128.db2.gz KYWAXSRWWKQUBP-IBGZPJMESA-N 2 1 314.473 3.225 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000295039757 224397483 /nfs/dbraw/zinc/39/74/83/224397483.db2.gz MMUJZNOCJIYIGJ-ZIAGYGMSSA-N 2 1 301.434 3.381 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000353535552 285360128 /nfs/dbraw/zinc/36/01/28/285360128.db2.gz KMOIVFGZLVANIH-QGZVFWFLSA-N 2 1 304.413 3.493 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000121774973 195344889 /nfs/dbraw/zinc/34/48/89/195344889.db2.gz UVSIUWSIJQXMON-UHFFFAOYSA-N 2 1 320.440 3.423 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783383 195346504 /nfs/dbraw/zinc/34/65/04/195346504.db2.gz ZZWYPPJIVIECAW-SUNYJGFJSA-N 2 1 315.461 3.168 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783383 195346507 /nfs/dbraw/zinc/34/65/07/195346507.db2.gz ZZWYPPJIVIECAW-SUNYJGFJSA-N 2 1 315.461 3.168 20 0 DGADMP CCCc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121621196 195318012 /nfs/dbraw/zinc/31/80/12/195318012.db2.gz BSURXAWBXZVOSQ-UHFFFAOYSA-N 2 1 320.481 3.110 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000294864098 533375621 /nfs/dbraw/zinc/37/56/21/533375621.db2.gz DFHPDRCHMDNEMK-PMACEKPBSA-N 2 1 316.489 3.194 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802680 533529085 /nfs/dbraw/zinc/52/90/85/533529085.db2.gz SKWVJXHDIZLQJF-JEIKXUOUSA-N 2 1 316.489 3.443 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415079349 533499403 /nfs/dbraw/zinc/49/94/03/533499403.db2.gz JXXIPLSKHAQUAZ-UYAOXDASSA-N 2 1 310.441 3.321 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)sc1Br ZINC000442924166 533605085 /nfs/dbraw/zinc/60/50/85/533605085.db2.gz RSUNIDDFBOTQJA-LLVKDONJSA-N 2 1 317.296 3.380 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000584809470 400106624 /nfs/dbraw/zinc/10/66/24/400106624.db2.gz JDNOHVZSOURHPN-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000584809470 400106629 /nfs/dbraw/zinc/10/66/29/400106629.db2.gz JDNOHVZSOURHPN-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000584809470 400106636 /nfs/dbraw/zinc/10/66/36/400106636.db2.gz JDNOHVZSOURHPN-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[C@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608991491 400135490 /nfs/dbraw/zinc/13/54/90/400135490.db2.gz ZRXUZXNIJIUGBS-GOSISDBHSA-N 2 1 324.509 3.306 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314705182 400140232 /nfs/dbraw/zinc/14/02/32/400140232.db2.gz BDQKCPCWWLIIFS-SJLPKXTDSA-N 2 1 304.478 3.336 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690223 400222879 /nfs/dbraw/zinc/22/28/79/400222879.db2.gz CURTUZOABXDNOX-CTNGQTDRSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690223 400222882 /nfs/dbraw/zinc/22/28/82/400222882.db2.gz CURTUZOABXDNOX-CTNGQTDRSA-N 2 1 324.468 3.065 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000588688194 400223075 /nfs/dbraw/zinc/22/30/75/400223075.db2.gz QTEJSRLMCJLIEP-LEWJYISDSA-N 2 1 324.468 3.220 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000588688194 400223081 /nfs/dbraw/zinc/22/30/81/400223081.db2.gz QTEJSRLMCJLIEP-LEWJYISDSA-N 2 1 324.468 3.220 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000595564615 400189934 /nfs/dbraw/zinc/18/99/34/400189934.db2.gz LCPMZIUFGAPQHE-UHFFFAOYSA-N 2 1 305.466 3.106 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000595564615 400189939 /nfs/dbraw/zinc/18/99/39/400189939.db2.gz LCPMZIUFGAPQHE-UHFFFAOYSA-N 2 1 305.466 3.106 20 0 DGADMP Clc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093734886 400253813 /nfs/dbraw/zinc/25/38/13/400253813.db2.gz MDLVKMVXCNDJIT-UHFFFAOYSA-N 2 1 312.841 3.010 20 0 DGADMP CCS[C@H]1CCCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595884046 400286489 /nfs/dbraw/zinc/28/64/89/400286489.db2.gz BCCWLYWYIJDGQR-KRWDZBQOSA-N 2 1 304.503 3.440 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589641904 400315233 /nfs/dbraw/zinc/31/52/33/400315233.db2.gz USVMLTJYUPPASF-INIZCTEOSA-N 2 1 314.477 3.318 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641530 400315828 /nfs/dbraw/zinc/31/58/28/400315828.db2.gz NJHVEXJJRKPZQX-HZPDHXFCSA-N 2 1 314.477 3.411 20 0 DGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC(C)C ZINC000069754375 400341278 /nfs/dbraw/zinc/34/12/78/400341278.db2.gz UCTJELBOPCQDDD-UHFFFAOYSA-N 2 1 317.433 3.167 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC000124401487 400475598 /nfs/dbraw/zinc/47/55/98/400475598.db2.gz CCTXXWOECMYLSB-GOSISDBHSA-N 2 1 317.521 3.228 20 0 DGADMP Clc1ccc(OCC[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000591082364 400484847 /nfs/dbraw/zinc/48/48/47/400484847.db2.gz FUNFSPZNCNNUEO-HNNXBMFYSA-N 2 1 305.809 3.252 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000591709795 400551091 /nfs/dbraw/zinc/55/10/91/400551091.db2.gz WDMGQOIIVBTNND-UHFFFAOYSA-N 2 1 322.456 3.315 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000591709795 400551094 /nfs/dbraw/zinc/55/10/94/400551094.db2.gz WDMGQOIIVBTNND-UHFFFAOYSA-N 2 1 322.456 3.315 20 0 DGADMP CSC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000602726843 400552892 /nfs/dbraw/zinc/55/28/92/400552892.db2.gz CDMVUEUACVLTHJ-RDJZCZTQSA-N 2 1 304.503 3.240 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836035 400613415 /nfs/dbraw/zinc/61/34/15/400613415.db2.gz CELMPUJXRKZWBK-GOSISDBHSA-N 2 1 301.478 3.060 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000052584880 400739214 /nfs/dbraw/zinc/73/92/14/400739214.db2.gz ISOOOUULYWNAHX-UHFFFAOYSA-N 2 1 315.505 3.023 20 0 DGADMP Clc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517352 400697078 /nfs/dbraw/zinc/69/70/78/400697078.db2.gz RBORPQYYWJITCU-KRWDZBQOSA-N 2 1 308.853 3.073 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000629517959 400954621 /nfs/dbraw/zinc/95/46/21/400954621.db2.gz BTWHJLJSNWXABU-BHYGNILZSA-N 2 1 301.478 3.327 20 0 DGADMP COC(=O)CC1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000599049258 400938462 /nfs/dbraw/zinc/93/84/62/400938462.db2.gz WCJUDLKWLABFGJ-ABHNRTSZSA-N 2 1 324.509 3.208 20 0 DGADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CO2 ZINC000629512432 400950643 /nfs/dbraw/zinc/95/06/43/400950643.db2.gz ABWMLWMEETVHEH-HBFSDRIKSA-N 2 1 322.452 3.381 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598954744 400910865 /nfs/dbraw/zinc/91/08/65/400910865.db2.gz GIVIPJBJOLXKFT-ZDUSSCGKSA-N 2 1 324.490 3.135 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598954744 400910870 /nfs/dbraw/zinc/91/08/70/400910870.db2.gz GIVIPJBJOLXKFT-ZDUSSCGKSA-N 2 1 324.490 3.135 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000629656009 401019576 /nfs/dbraw/zinc/01/95/76/401019576.db2.gz MNLQKZOSTMBDIM-KYOSRNDESA-N 2 1 318.358 3.388 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629654888 401020608 /nfs/dbraw/zinc/02/06/08/401020608.db2.gz JFDDBSKIQGRLRZ-HIFRSBDPSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629654888 401020611 /nfs/dbraw/zinc/02/06/11/401020611.db2.gz JFDDBSKIQGRLRZ-HIFRSBDPSA-N 2 1 323.362 3.194 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629654923 401020843 /nfs/dbraw/zinc/02/08/43/401020843.db2.gz JOXLZAUGRSGJID-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629654923 401020849 /nfs/dbraw/zinc/02/08/49/401020849.db2.gz JOXLZAUGRSGJID-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)CO2 ZINC000629649548 401015940 /nfs/dbraw/zinc/01/59/40/401015940.db2.gz CRKBAUQFMPZJCH-LJQANCHMSA-N 2 1 312.457 3.174 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)C[C@H]21 ZINC000228476427 400964850 /nfs/dbraw/zinc/96/48/50/400964850.db2.gz VVIPDADLLOUKFN-IAOVAPTHSA-N 2 1 308.853 3.168 20 0 DGADMP CCOCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629576937 400979940 /nfs/dbraw/zinc/97/99/40/400979940.db2.gz WXYGLAJNEFMNAR-HXUWFJFHSA-N 2 1 316.489 3.402 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)cc1F ZINC000629671436 401031172 /nfs/dbraw/zinc/03/11/72/401031172.db2.gz AOPXLOPIRKURLM-IJEWVQPXSA-N 2 1 306.425 3.012 20 0 DGADMP Oc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000625379677 401115017 /nfs/dbraw/zinc/11/50/17/401115017.db2.gz ASHLMDAGPSZSJU-OAHLLOKOSA-N 2 1 304.777 3.094 20 0 DGADMP Oc1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000625379677 401115020 /nfs/dbraw/zinc/11/50/20/401115020.db2.gz ASHLMDAGPSZSJU-OAHLLOKOSA-N 2 1 304.777 3.094 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000358250806 286011052 /nfs/dbraw/zinc/01/10/52/286011052.db2.gz LYHNVULCEUCEHU-NBDWZHNGSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317611 286029970 /nfs/dbraw/zinc/02/99/70/286029970.db2.gz KYGANIHLFBSNRQ-WQVCFCJDSA-N 2 1 306.425 3.358 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317611 286029972 /nfs/dbraw/zinc/02/99/72/286029972.db2.gz KYGANIHLFBSNRQ-WQVCFCJDSA-N 2 1 306.425 3.358 20 0 DGADMP Cc1cncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000358362186 286042038 /nfs/dbraw/zinc/04/20/38/286042038.db2.gz DTYUBNJCFFLGDE-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000358366303 286043103 /nfs/dbraw/zinc/04/31/03/286043103.db2.gz KTJLWNQBPBINLQ-GJZGRUSLSA-N 2 1 306.400 3.213 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000358348613 286038671 /nfs/dbraw/zinc/03/86/71/286038671.db2.gz CMQFQGUQFWKOEM-HOCLYGCPSA-N 2 1 318.452 3.291 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358348061 286038727 /nfs/dbraw/zinc/03/87/27/286038727.db2.gz HAFMUEFZLCWIND-XLNTUCKNSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358348061 286038729 /nfs/dbraw/zinc/03/87/29/286038729.db2.gz HAFMUEFZLCWIND-XLNTUCKNSA-N 2 1 314.473 3.197 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@H](C)C1 ZINC000358349752 286039124 /nfs/dbraw/zinc/03/91/24/286039124.db2.gz ICVPOVFWFJTJGR-AEFFLSMTSA-N 2 1 308.510 3.293 20 0 DGADMP c1cnc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC000634687936 401335048 /nfs/dbraw/zinc/33/50/48/401335048.db2.gz DCDNXFFJTMMEKS-SJORKVTESA-N 2 1 309.457 3.446 20 0 DGADMP Cn1c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc2cc(Cl)ccc21 ZINC000634732349 401340271 /nfs/dbraw/zinc/34/02/71/401340271.db2.gz DLVXHULWJBVZSN-CYBMUJFWSA-N 2 1 320.868 3.095 20 0 DGADMP CC[N@H+](CCN1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062088 401291427 /nfs/dbraw/zinc/29/14/27/401291427.db2.gz GEFQPEGFAHWUNM-UHFFFAOYSA-N 2 1 303.494 3.056 20 0 DGADMP CC[N@@H+](CCN1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062088 401291430 /nfs/dbraw/zinc/29/14/30/401291430.db2.gz GEFQPEGFAHWUNM-UHFFFAOYSA-N 2 1 303.494 3.056 20 0 DGADMP CC[N@@H+](CCn1cc(Cl)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063986 401292662 /nfs/dbraw/zinc/29/26/62/401292662.db2.gz YBPBROCROBLGKE-UHFFFAOYSA-N 2 1 320.868 3.120 20 0 DGADMP Cc1cc(C)c(/C=C\C[NH2+]C2(CCO)CC[NH+](C)CC2)c(C)c1 ZINC000631166107 401413240 /nfs/dbraw/zinc/41/32/40/401413240.db2.gz GLFMCNVLUJSHDU-WAYWQWQTSA-N 2 1 316.489 3.061 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000631042937 401376331 /nfs/dbraw/zinc/37/63/31/401376331.db2.gz NWPBABUDFYAUJJ-INIZCTEOSA-N 2 1 317.477 3.247 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634952932 401387340 /nfs/dbraw/zinc/38/73/40/401387340.db2.gz MFERXCPKRYIPRW-IYBDPMFKSA-N 2 1 312.461 3.087 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991972 401397471 /nfs/dbraw/zinc/39/74/71/401397471.db2.gz YGPNSJJNWLWEGC-SFHVURJKSA-N 2 1 312.461 3.136 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991972 401397475 /nfs/dbraw/zinc/39/74/75/401397475.db2.gz YGPNSJJNWLWEGC-SFHVURJKSA-N 2 1 312.461 3.136 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635008362 401400904 /nfs/dbraw/zinc/40/09/04/401400904.db2.gz DDUYVVKRXFRIJI-KGLIPLIRSA-N 2 1 306.450 3.133 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nc2c(s1)CCCC2 ZINC000635009499 401401905 /nfs/dbraw/zinc/40/19/05/401401905.db2.gz HGPICPMIUDWEHF-STQMWFEESA-N 2 1 307.507 3.451 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000635010349 401402229 /nfs/dbraw/zinc/40/22/29/401402229.db2.gz JWHCSYFZUHXGDO-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CN1Cc1ccccc1 ZINC000635010349 401402232 /nfs/dbraw/zinc/40/22/32/401402232.db2.gz JWHCSYFZUHXGDO-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000631195033 401422879 /nfs/dbraw/zinc/42/28/79/401422879.db2.gz AFVFCHQHHXXNIF-MJGOQNOKSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000631195033 401422884 /nfs/dbraw/zinc/42/28/84/401422884.db2.gz AFVFCHQHHXXNIF-MJGOQNOKSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196023 401423939 /nfs/dbraw/zinc/42/39/39/401423939.db2.gz MXXXUXZDLTXCFU-OXJNMPFZSA-N 2 1 309.457 3.248 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623361386 401500356 /nfs/dbraw/zinc/50/03/56/401500356.db2.gz ZRJIHNKUUQZFKZ-NEPJUHHUSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623361386 401500361 /nfs/dbraw/zinc/50/03/61/401500361.db2.gz ZRJIHNKUUQZFKZ-NEPJUHHUSA-N 2 1 304.381 3.483 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631579066 401504279 /nfs/dbraw/zinc/50/42/79/401504279.db2.gz BUJVECSCAKSUSV-ZBFHGGJFSA-N 2 1 306.450 3.086 20 0 DGADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(C(F)(F)F)c1 ZINC000623384169 401505380 /nfs/dbraw/zinc/50/53/80/401505380.db2.gz RAULDPKQCAWQOD-LLVKDONJSA-N 2 1 304.356 3.144 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3cc[nH]c3c2)C[C@H](C)O1 ZINC000623425030 401514061 /nfs/dbraw/zinc/51/40/61/401514061.db2.gz OELIQGNRAVUEEK-IYBDPMFKSA-N 2 1 315.461 3.147 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623468734 401524733 /nfs/dbraw/zinc/52/47/33/401524733.db2.gz DIRDOFNFAXMQQX-OAHLLOKOSA-N 2 1 300.450 3.021 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631665383 401529533 /nfs/dbraw/zinc/52/95/33/401529533.db2.gz WXVGGSFMZWNBMH-ZIFCJYIRSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1ncncc1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666094 401529628 /nfs/dbraw/zinc/52/96/28/401529628.db2.gz ZVPRKTZWLAXVFD-TXPKVOOTSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666094 401529631 /nfs/dbraw/zinc/52/96/31/401529631.db2.gz ZVPRKTZWLAXVFD-TXPKVOOTSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666094 401529634 /nfs/dbraw/zinc/52/96/34/401529634.db2.gz ZVPRKTZWLAXVFD-TXPKVOOTSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623655987 401563193 /nfs/dbraw/zinc/56/31/93/401563193.db2.gz KOSZIGHMBXZWTN-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000623656517 401563415 /nfs/dbraw/zinc/56/34/15/401563415.db2.gz VYIZIPSHZSRRPA-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP C[N@H+]1CCCC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623657447 401563649 /nfs/dbraw/zinc/56/36/49/401563649.db2.gz RAQFGPGZSQYJOX-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623657447 401563651 /nfs/dbraw/zinc/56/36/51/401563651.db2.gz RAQFGPGZSQYJOX-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623657447 401563655 /nfs/dbraw/zinc/56/36/55/401563655.db2.gz RAQFGPGZSQYJOX-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000628293316 401568959 /nfs/dbraw/zinc/56/89/59/401568959.db2.gz WRYFVOYZJIUKRJ-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000628293316 401568961 /nfs/dbraw/zinc/56/89/61/401568961.db2.gz WRYFVOYZJIUKRJ-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000623888731 401594327 /nfs/dbraw/zinc/59/43/27/401594327.db2.gz RMUZIVNKCCVFRM-HXUWFJFHSA-N 2 1 317.521 3.372 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186305 401544542 /nfs/dbraw/zinc/54/45/42/401544542.db2.gz FUGYRVRHNUGEIQ-GOSISDBHSA-N 2 1 315.461 3.101 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000628202176 401549735 /nfs/dbraw/zinc/54/97/35/401549735.db2.gz KKNBGJHFTHHHFR-CQSZACIVSA-N 2 1 312.379 3.322 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000628252660 401561075 /nfs/dbraw/zinc/56/10/75/401561075.db2.gz CBYNRTFUQZWPNM-AWEZNQCLSA-N 2 1 323.362 3.297 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000624119351 401627976 /nfs/dbraw/zinc/62/79/76/401627976.db2.gz AEKYEICQXLWXKI-DLBZAZTESA-N 3 1 312.461 3.255 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121951 401628983 /nfs/dbraw/zinc/62/89/83/401628983.db2.gz GMECHBSRBYEXDX-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121441 401629192 /nfs/dbraw/zinc/62/91/92/401629192.db2.gz WMNYJPGUNSLITP-IAGOWNOFSA-N 2 1 320.477 3.094 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124113 401629816 /nfs/dbraw/zinc/62/98/16/401629816.db2.gz XRNWBQYUQWKJEI-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124113 401629817 /nfs/dbraw/zinc/62/98/17/401629817.db2.gz XRNWBQYUQWKJEI-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP Cc1ccc(SCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358507103 286080137 /nfs/dbraw/zinc/08/01/37/286080137.db2.gz NDUVKAYPEPWQII-UHFFFAOYSA-N 2 1 304.503 3.471 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000623971030 401607281 /nfs/dbraw/zinc/60/72/81/401607281.db2.gz IBGQZRGSZHRCBR-UYAOXDASSA-N 2 1 318.505 3.488 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000623971030 401607283 /nfs/dbraw/zinc/60/72/83/401607283.db2.gz IBGQZRGSZHRCBR-UYAOXDASSA-N 2 1 318.505 3.488 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512130 286081260 /nfs/dbraw/zinc/08/12/60/286081260.db2.gz UOLSUBAZHWSPEL-HNNXBMFYSA-N 2 1 311.429 3.478 20 0 DGADMP Cc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000124988518 292202748 /nfs/dbraw/zinc/20/27/48/292202748.db2.gz SUTFCEIECJOIKY-YZGWKJHDSA-N 2 1 315.505 3.204 20 0 DGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397349 401683943 /nfs/dbraw/zinc/68/39/43/401683943.db2.gz ZVLMABBWTDGMQS-VNHYZAJKSA-N 2 1 312.404 3.339 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358648348 286116731 /nfs/dbraw/zinc/11/67/31/286116731.db2.gz IOAXOHDJKPHFRW-XEYPJELSSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358648348 286116732 /nfs/dbraw/zinc/11/67/32/286116732.db2.gz IOAXOHDJKPHFRW-XEYPJELSSA-N 2 1 318.505 3.426 20 0 DGADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358678670 286122165 /nfs/dbraw/zinc/12/21/65/286122165.db2.gz MLJKSQSKFCXNAI-PMACEKPBSA-N 2 1 314.473 3.031 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C)cn2)CC1)CC(C)C ZINC000358738102 286137828 /nfs/dbraw/zinc/13/78/28/286137828.db2.gz RWMZJNJFSDOBEC-UHFFFAOYSA-N 2 1 318.509 3.365 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nccc(C)n2)CC1)CC(C)C ZINC000358746112 286139977 /nfs/dbraw/zinc/13/99/77/286139977.db2.gz PWYOAMGOJDOZJY-UHFFFAOYSA-N 2 1 318.509 3.365 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nccc(C)n2)CC1)CC(C)C ZINC000358746112 286139979 /nfs/dbraw/zinc/13/99/79/286139979.db2.gz PWYOAMGOJDOZJY-UHFFFAOYSA-N 2 1 318.509 3.365 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000358924121 286188714 /nfs/dbraw/zinc/18/87/14/286188714.db2.gz DAAPPBFKIMDDIS-KRWDZBQOSA-N 2 1 314.420 3.220 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000358924121 286188716 /nfs/dbraw/zinc/18/87/16/286188716.db2.gz DAAPPBFKIMDDIS-KRWDZBQOSA-N 2 1 314.420 3.220 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000359117813 286241031 /nfs/dbraw/zinc/24/10/31/286241031.db2.gz SXIIQXNYKVXFHZ-RSPOEFSDSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000359117811 286241041 /nfs/dbraw/zinc/24/10/41/286241041.db2.gz SXIIQXNYKVXFHZ-GTAWCEEGSA-N 2 1 319.537 3.246 20 0 DGADMP CCc1csc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359210941 286261891 /nfs/dbraw/zinc/26/18/91/286261891.db2.gz DYSAMMURODIBNX-OAHLLOKOSA-N 2 1 307.507 3.275 20 0 DGADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359200592 286260172 /nfs/dbraw/zinc/26/01/72/286260172.db2.gz GAWFBKJHFIBHRY-SFHVURJKSA-N 2 1 318.461 3.230 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000359275581 286273917 /nfs/dbraw/zinc/27/39/17/286273917.db2.gz PSRNBLONLMMSIO-QGZVFWFLSA-N 2 1 317.433 3.304 20 0 DGADMP COc1cc2c(NCC[N@@H+]3CC=C(C)CC3)cc[nH+]c2cc1F ZINC000359567199 286337472 /nfs/dbraw/zinc/33/74/72/286337472.db2.gz USFGYSYAAFQNJL-UHFFFAOYSA-N 2 1 315.392 3.446 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808776 286384188 /nfs/dbraw/zinc/38/41/88/286384188.db2.gz RYZPRVZWGZBYFK-FXAWDEMLSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808776 286384189 /nfs/dbraw/zinc/38/41/89/286384189.db2.gz RYZPRVZWGZBYFK-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000359925245 286389574 /nfs/dbraw/zinc/38/95/74/286389574.db2.gz LISLCNFYSYFDGG-YESZJQIVSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000359937723 286392608 /nfs/dbraw/zinc/39/26/08/286392608.db2.gz WXFJWVGPRQFCTH-VQIMIIECSA-N 2 1 304.478 3.433 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359972259 286399986 /nfs/dbraw/zinc/39/99/86/286399986.db2.gz VNBXDEXKQZPHDP-MOPGFXCFSA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359972259 286399987 /nfs/dbraw/zinc/39/99/87/286399987.db2.gz VNBXDEXKQZPHDP-MOPGFXCFSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)(C[NH2+]Cc1cnn(-c2ccccc2)c1)C[NH+]1CCCC1 ZINC000360153840 286432768 /nfs/dbraw/zinc/43/27/68/286432768.db2.gz LQNMEPMDFRGXHZ-UHFFFAOYSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000360245582 286449523 /nfs/dbraw/zinc/44/95/23/286449523.db2.gz PBMFDVQDHMOGHW-GOSISDBHSA-N 2 1 323.484 3.309 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000362022117 286758701 /nfs/dbraw/zinc/75/87/01/286758701.db2.gz GGXZLFLOWOGBIR-HKUYNNGSSA-N 2 1 313.445 3.480 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21)C1C[NH2+]C1 ZINC000422954352 287060791 /nfs/dbraw/zinc/06/07/91/287060791.db2.gz IGWDELVALFKBEL-AUUYWEPGSA-N 2 1 308.425 3.375 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000182226550 164934250 /nfs/dbraw/zinc/93/42/50/164934250.db2.gz QXHRUSMLGPFGJQ-RTBURBONSA-N 2 1 304.478 3.168 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccs1 ZINC000189126299 165150079 /nfs/dbraw/zinc/15/00/79/165150079.db2.gz XXBMAVKOKBYQKU-RHSMWYFYSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccs1 ZINC000189126299 165150081 /nfs/dbraw/zinc/15/00/81/165150081.db2.gz XXBMAVKOKBYQKU-RHSMWYFYSA-N 2 1 319.449 3.455 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOCC(F)F)CC1 ZINC000189560779 165166333 /nfs/dbraw/zinc/16/63/33/165166333.db2.gz XLOUSCXECRKNTK-HNNXBMFYSA-N 2 1 318.452 3.245 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000191834165 165271984 /nfs/dbraw/zinc/27/19/84/165271984.db2.gz IXKUZVANOMMHKW-IBGZPJMESA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000191834165 165271988 /nfs/dbraw/zinc/27/19/88/165271988.db2.gz IXKUZVANOMMHKW-IBGZPJMESA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000192574238 165296538 /nfs/dbraw/zinc/29/65/38/165296538.db2.gz DJYIVTMBLHJZBH-TXPKVOOTSA-N 2 1 302.462 3.227 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000192933367 165310254 /nfs/dbraw/zinc/31/02/54/165310254.db2.gz DUETVJXMDAMMJA-QGZVFWFLSA-N 2 1 324.424 3.027 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000192933367 165310259 /nfs/dbraw/zinc/31/02/59/165310259.db2.gz DUETVJXMDAMMJA-QGZVFWFLSA-N 2 1 324.424 3.027 20 0 DGADMP C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192924284 165311091 /nfs/dbraw/zinc/31/10/91/165311091.db2.gz SZIVVRCPTZXKJN-OHSMVPPVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000192924284 165311096 /nfs/dbraw/zinc/31/10/96/165311096.db2.gz SZIVVRCPTZXKJN-OHSMVPPVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000192924284 165311098 /nfs/dbraw/zinc/31/10/98/165311098.db2.gz SZIVVRCPTZXKJN-OHSMVPPVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192924284 165311102 /nfs/dbraw/zinc/31/11/02/165311102.db2.gz SZIVVRCPTZXKJN-OHSMVPPVSA-N 3 1 315.505 3.112 20 0 DGADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192924284 165311104 /nfs/dbraw/zinc/31/11/04/165311104.db2.gz SZIVVRCPTZXKJN-OHSMVPPVSA-N 3 1 315.505 3.112 20 0 DGADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000192924284 165311108 /nfs/dbraw/zinc/31/11/08/165311108.db2.gz SZIVVRCPTZXKJN-OHSMVPPVSA-N 3 1 315.505 3.112 20 0 DGADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000192924284 165311112 /nfs/dbraw/zinc/31/11/12/165311112.db2.gz SZIVVRCPTZXKJN-OHSMVPPVSA-N 3 1 315.505 3.112 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000193045935 165316761 /nfs/dbraw/zinc/31/67/61/165316761.db2.gz TXBPSNXZIOBYRW-DXTJYYCRSA-N 3 1 319.537 3.244 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)CC1 ZINC000193045935 165316764 /nfs/dbraw/zinc/31/67/64/165316764.db2.gz TXBPSNXZIOBYRW-DXTJYYCRSA-N 2 1 319.537 3.244 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000193465993 165327401 /nfs/dbraw/zinc/32/74/01/165327401.db2.gz UOXUTRSJHCRSNK-UHFFFAOYSA-N 2 1 317.477 3.069 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccccc1Cl ZINC000136295161 432151780 /nfs/dbraw/zinc/15/17/80/432151780.db2.gz JJSPWAUVWXEUFA-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccccc1Cl ZINC000136295161 432151784 /nfs/dbraw/zinc/15/17/84/432151784.db2.gz JJSPWAUVWXEUFA-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129436083 196048288 /nfs/dbraw/zinc/04/82/88/196048288.db2.gz PCEXJUYHYAFOSM-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129436083 196048290 /nfs/dbraw/zinc/04/82/90/196048290.db2.gz PCEXJUYHYAFOSM-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP c1sc(C2CC2)nc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000136736555 432161135 /nfs/dbraw/zinc/16/11/35/432161135.db2.gz RJJZGOPMLUKPPO-RHSMWYFYSA-N 2 1 317.502 3.469 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000181966023 432153326 /nfs/dbraw/zinc/15/33/26/432153326.db2.gz UBKUHAJNWLETLP-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000181966044 432153666 /nfs/dbraw/zinc/15/36/66/432153666.db2.gz UBKUHAJNWLETLP-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246843875 432171459 /nfs/dbraw/zinc/17/14/59/432171459.db2.gz CGTNNJPMBRZYEM-FXAWDEMLSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246843875 432171463 /nfs/dbraw/zinc/17/14/63/432171463.db2.gz CGTNNJPMBRZYEM-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246843875 432171466 /nfs/dbraw/zinc/17/14/66/432171466.db2.gz CGTNNJPMBRZYEM-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)[C@@H](C)C1 ZINC000246843875 432171471 /nfs/dbraw/zinc/17/14/71/432171471.db2.gz CGTNNJPMBRZYEM-FXAWDEMLSA-N 2 1 317.521 3.348 20 0 DGADMP CC[N@H+]1CC[C@H](NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246886782 432178531 /nfs/dbraw/zinc/17/85/31/432178531.db2.gz DQTVWKDMCAXQEG-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246886782 432178533 /nfs/dbraw/zinc/17/85/33/432178533.db2.gz DQTVWKDMCAXQEG-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246886782 432178537 /nfs/dbraw/zinc/17/85/37/432178537.db2.gz DQTVWKDMCAXQEG-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246886782 432178539 /nfs/dbraw/zinc/17/85/39/432178539.db2.gz DQTVWKDMCAXQEG-HBFSDRIKSA-N 3 1 317.521 3.217 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246886782 432178544 /nfs/dbraw/zinc/17/85/44/432178544.db2.gz DQTVWKDMCAXQEG-HBFSDRIKSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246886782 432178548 /nfs/dbraw/zinc/17/85/48/432178548.db2.gz DQTVWKDMCAXQEG-HBFSDRIKSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246886782 432178551 /nfs/dbraw/zinc/17/85/51/432178551.db2.gz DQTVWKDMCAXQEG-HBFSDRIKSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000246907148 432179044 /nfs/dbraw/zinc/17/90/44/432179044.db2.gz FMITXSMQPIYGGD-YQXATGRUSA-N 2 1 316.489 3.158 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)[C@H](C)C1 ZINC000246910853 432180242 /nfs/dbraw/zinc/18/02/42/432180242.db2.gz FWWNZFSGDPZALI-BPQIPLTHSA-N 2 1 319.493 3.045 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000182273992 432172963 /nfs/dbraw/zinc/17/29/63/432172963.db2.gz KSEXUVAJAJNPHK-QAPCUYQASA-N 2 1 314.429 3.005 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000182273992 432172965 /nfs/dbraw/zinc/17/29/65/432172965.db2.gz KSEXUVAJAJNPHK-QAPCUYQASA-N 2 1 314.429 3.005 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000246959900 432185300 /nfs/dbraw/zinc/18/53/00/432185300.db2.gz IOJUVWBENTWGJM-IGKNDFSCSA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000246959900 432185302 /nfs/dbraw/zinc/18/53/02/432185302.db2.gz IOJUVWBENTWGJM-IGKNDFSCSA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000246959900 432185305 /nfs/dbraw/zinc/18/53/05/432185305.db2.gz IOJUVWBENTWGJM-IGKNDFSCSA-N 2 1 309.542 3.061 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000190743307 432186588 /nfs/dbraw/zinc/18/65/88/432186588.db2.gz XQCOWROCESVQDC-UHFFFAOYSA-N 2 1 318.509 3.136 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182424137 432188637 /nfs/dbraw/zinc/18/86/37/432188637.db2.gz IHRDNPHMTGVDQR-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247028678 432193355 /nfs/dbraw/zinc/19/33/55/432193355.db2.gz MAZRCPZCSYBTFA-IIDMSEBBSA-N 2 1 317.477 3.244 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247028678 432193363 /nfs/dbraw/zinc/19/33/63/432193363.db2.gz MAZRCPZCSYBTFA-IIDMSEBBSA-N 2 1 317.477 3.244 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000182508523 432198054 /nfs/dbraw/zinc/19/80/54/432198054.db2.gz SJRLRJBMRHFZKV-SFHVURJKSA-N 2 1 316.489 3.436 20 0 DGADMP C[C@@H](CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247093957 432202568 /nfs/dbraw/zinc/20/25/68/432202568.db2.gz OGOLPJBPXRRHQH-RMJJICAUSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@@H](CCN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000247093957 432202572 /nfs/dbraw/zinc/20/25/72/432202572.db2.gz OGOLPJBPXRRHQH-RMJJICAUSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@@H](CCN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247093957 432202575 /nfs/dbraw/zinc/20/25/75/432202575.db2.gz OGOLPJBPXRRHQH-RMJJICAUSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247093957 432202576 /nfs/dbraw/zinc/20/25/76/432202576.db2.gz OGOLPJBPXRRHQH-RMJJICAUSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247093957 432202579 /nfs/dbraw/zinc/20/25/79/432202579.db2.gz OGOLPJBPXRRHQH-RMJJICAUSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000247093957 432202581 /nfs/dbraw/zinc/20/25/81/432202581.db2.gz OGOLPJBPXRRHQH-RMJJICAUSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247093957 432202583 /nfs/dbraw/zinc/20/25/83/432202583.db2.gz OGOLPJBPXRRHQH-RMJJICAUSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000131251675 196153981 /nfs/dbraw/zinc/15/39/81/196153981.db2.gz YDDHNJAGUCKLJC-VQISRLSMSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000131251675 196153983 /nfs/dbraw/zinc/15/39/83/196153983.db2.gz YDDHNJAGUCKLJC-VQISRLSMSA-N 2 1 317.260 3.099 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000247136709 432206474 /nfs/dbraw/zinc/20/64/74/432206474.db2.gz QPZBCTPIFOXONF-OGHNNQOOSA-N 2 1 310.869 3.209 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247196580 432210617 /nfs/dbraw/zinc/21/06/17/432210617.db2.gz WCVYYDTZRLJXIG-IIDMSEBBSA-N 2 1 317.477 3.244 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247196593 432211914 /nfs/dbraw/zinc/21/19/14/432211914.db2.gz WCVYYDTZRLJXIG-RVKKMQEKSA-N 2 1 317.477 3.244 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000247222020 432213675 /nfs/dbraw/zinc/21/36/75/432213675.db2.gz XQTALJUABJRQCN-LEAZDLGRSA-N 2 1 316.489 3.474 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000247219752 432213846 /nfs/dbraw/zinc/21/38/46/432213846.db2.gz WHVDEQPAGMCJIC-HKUYNNGSSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000247219752 432213849 /nfs/dbraw/zinc/21/38/49/432213849.db2.gz WHVDEQPAGMCJIC-HKUYNNGSSA-N 2 1 309.542 3.064 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000247234641 432213908 /nfs/dbraw/zinc/21/39/08/432213908.db2.gz YNXUGSSYFHTOTI-MAUKXSAKSA-N 2 1 308.441 3.305 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000247242279 432214585 /nfs/dbraw/zinc/21/45/85/432214585.db2.gz ZAJNKFJGYVBMEQ-HZPDHXFCSA-N 2 1 320.477 3.476 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000190956931 432204884 /nfs/dbraw/zinc/20/48/84/432204884.db2.gz MOEPJTJHYBYKBY-SFHVURJKSA-N 2 1 318.509 3.136 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000190956931 432204888 /nfs/dbraw/zinc/20/48/88/432204888.db2.gz MOEPJTJHYBYKBY-SFHVURJKSA-N 2 1 318.509 3.136 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000182748520 432224757 /nfs/dbraw/zinc/22/47/57/432224757.db2.gz OPTQNGSOKUDGQU-LJQANCHMSA-N 2 1 309.542 3.305 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000182748520 432224760 /nfs/dbraw/zinc/22/47/60/432224760.db2.gz OPTQNGSOKUDGQU-LJQANCHMSA-N 2 1 309.542 3.305 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000131439803 196168334 /nfs/dbraw/zinc/16/83/34/196168334.db2.gz MAWFRAJDKPTPEC-VAMGGRTRSA-N 2 1 316.489 3.149 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131440004 196169021 /nfs/dbraw/zinc/16/90/21/196169021.db2.gz MAWFRAJDKPTPEC-XUVXKRRUSA-N 2 1 316.489 3.149 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)CC(C)C)cc1 ZINC000151195286 432228253 /nfs/dbraw/zinc/22/82/53/432228253.db2.gz OFNGPWWUTIJMOV-YOEHRIQHSA-N 2 1 301.434 3.238 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000247314272 432222034 /nfs/dbraw/zinc/22/20/34/432222034.db2.gz RMIKENKPOAMURY-HZPDHXFCSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000247314272 432222036 /nfs/dbraw/zinc/22/20/36/432222036.db2.gz RMIKENKPOAMURY-HZPDHXFCSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000247314272 432222038 /nfs/dbraw/zinc/22/20/38/432222038.db2.gz RMIKENKPOAMURY-HZPDHXFCSA-N 2 1 313.445 3.492 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131614922 196184347 /nfs/dbraw/zinc/18/43/47/196184347.db2.gz SSFBKEIMXZUNDO-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131614922 196184349 /nfs/dbraw/zinc/18/43/49/196184349.db2.gz SSFBKEIMXZUNDO-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000131734852 196195188 /nfs/dbraw/zinc/19/51/88/196195188.db2.gz WELLLELSYMBADX-UHFFFAOYSA-N 2 1 304.503 3.179 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000342510672 287267189 /nfs/dbraw/zinc/26/71/89/287267189.db2.gz VGGGGRPASHWLGA-NVXWUHKLSA-N 2 1 304.482 3.115 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245878510 287347795 /nfs/dbraw/zinc/34/77/95/287347795.db2.gz KKNFVLQYIVCPMA-TVFCKZIOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422875667 287355712 /nfs/dbraw/zinc/35/57/12/287355712.db2.gz FOEZCQAJMGAKDT-HLIPFELVSA-N 3 1 315.505 3.136 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1OC ZINC000296601090 226036796 /nfs/dbraw/zinc/03/67/96/226036796.db2.gz VQFUHWJSOWWBST-WZYMTQMTSA-N 2 1 318.461 3.288 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000296777522 226221712 /nfs/dbraw/zinc/22/17/12/226221712.db2.gz RWDNHSYRMNHLLR-INIZCTEOSA-N 2 1 304.478 3.268 20 0 DGADMP CO[C@@H](C)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291453712 222398859 /nfs/dbraw/zinc/39/88/59/222398859.db2.gz MKOSBBDERKRICY-KRWDZBQOSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000178219879 228338213 /nfs/dbraw/zinc/33/82/13/228338213.db2.gz NTHSJBOLOAYLAJ-LSDHHAIUSA-N 2 1 323.440 3.092 20 0 DGADMP C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000178219879 228338216 /nfs/dbraw/zinc/33/82/16/228338216.db2.gz NTHSJBOLOAYLAJ-LSDHHAIUSA-N 2 1 323.440 3.092 20 0 DGADMP Cc1cccc(NCCC[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000302241944 230196001 /nfs/dbraw/zinc/19/60/01/230196001.db2.gz OXTCTUAUFNMEKX-UHFFFAOYSA-N 2 1 310.445 3.014 20 0 DGADMP CCC(CC)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OC ZINC000324547388 263905305 /nfs/dbraw/zinc/90/53/05/263905305.db2.gz PEDWQWOPCWCFOM-UHFFFAOYSA-N 2 1 318.505 3.488 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000346567313 264055932 /nfs/dbraw/zinc/05/59/32/264055932.db2.gz SVSSKQNJHOVRAC-JYBIWHBTSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000346567313 264055933 /nfs/dbraw/zinc/05/59/33/264055933.db2.gz SVSSKQNJHOVRAC-JYBIWHBTSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000346631822 264069671 /nfs/dbraw/zinc/06/96/71/264069671.db2.gz CMUKMSCDKDSFDA-HNNXBMFYSA-N 2 1 300.393 3.136 20 0 DGADMP CCOCc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000346649028 264072854 /nfs/dbraw/zinc/07/28/54/264072854.db2.gz BWDUTZKOKALOIM-QGZVFWFLSA-N 2 1 308.466 3.037 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000346670604 264077869 /nfs/dbraw/zinc/07/78/69/264077869.db2.gz GOVNBKYRIVZLKO-QGZVFWFLSA-N 2 1 306.498 3.273 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000346670604 264077872 /nfs/dbraw/zinc/07/78/72/264077872.db2.gz GOVNBKYRIVZLKO-QGZVFWFLSA-N 2 1 306.498 3.273 20 0 DGADMP COc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1OC(F)F ZINC000346679482 264078416 /nfs/dbraw/zinc/07/84/16/264078416.db2.gz NCSALGJDTPGDMK-ZDUSSCGKSA-N 2 1 316.392 3.102 20 0 DGADMP COc1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1OC(F)F ZINC000346679482 264078417 /nfs/dbraw/zinc/07/84/17/264078417.db2.gz NCSALGJDTPGDMK-ZDUSSCGKSA-N 2 1 316.392 3.102 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000346677960 264078762 /nfs/dbraw/zinc/07/87/62/264078762.db2.gz LEXYMKKCTYNSNR-OAHLLOKOSA-N 2 1 304.463 3.010 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000346677960 264078764 /nfs/dbraw/zinc/07/87/64/264078764.db2.gz LEXYMKKCTYNSNR-OAHLLOKOSA-N 2 1 304.463 3.010 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000346687871 264079346 /nfs/dbraw/zinc/07/93/46/264079346.db2.gz WZORUGINRMVLSU-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000346687871 264079347 /nfs/dbraw/zinc/07/93/47/264079347.db2.gz WZORUGINRMVLSU-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]12 ZINC000346814339 264103136 /nfs/dbraw/zinc/10/31/36/264103136.db2.gz ASWMBOFKZRMUAV-ZYSHUDEJSA-N 2 1 300.446 3.177 20 0 DGADMP CCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346821068 264103684 /nfs/dbraw/zinc/10/36/84/264103684.db2.gz LERPIAGFLWXEPA-GVDBMIGSSA-N 2 1 318.461 3.043 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(OC(F)F)cc1C ZINC000346830227 264105464 /nfs/dbraw/zinc/10/54/64/264105464.db2.gz KFWNLOFGHVIKCT-IMJJTQAJSA-N 2 1 324.415 3.464 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833804 264105614 /nfs/dbraw/zinc/10/56/14/264105614.db2.gz MPRIYBYEYFLJFT-KGLIPLIRSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833804 264105616 /nfs/dbraw/zinc/10/56/16/264105616.db2.gz MPRIYBYEYFLJFT-KGLIPLIRSA-N 2 1 307.869 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)C[C@@H]21 ZINC000346838863 264106343 /nfs/dbraw/zinc/10/63/43/264106343.db2.gz RTFKGMLTMOJIGF-SLFFLAALSA-N 2 1 307.441 3.308 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346838041 264106743 /nfs/dbraw/zinc/10/67/43/264106743.db2.gz PXPOGWHSHMBFJG-GVDBMIGSSA-N 2 1 318.461 3.043 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000346844190 264107108 /nfs/dbraw/zinc/10/71/08/264107108.db2.gz LDEPOPBMYFPZKR-ZFWWWQNUSA-N 2 1 301.459 3.433 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000346844190 264107109 /nfs/dbraw/zinc/10/71/09/264107109.db2.gz LDEPOPBMYFPZKR-ZFWWWQNUSA-N 2 1 301.459 3.433 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000346844186 264107493 /nfs/dbraw/zinc/10/74/93/264107493.db2.gz LDEPOPBMYFPZKR-UKRRQHHQSA-N 2 1 301.459 3.433 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000346844186 264107496 /nfs/dbraw/zinc/10/74/96/264107496.db2.gz LDEPOPBMYFPZKR-UKRRQHHQSA-N 2 1 301.459 3.433 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]12 ZINC000346848755 264108497 /nfs/dbraw/zinc/10/84/97/264108497.db2.gz QTHBHTNZFRMRNQ-SRCQZFHVSA-N 2 1 300.377 3.255 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](CC2CC[NH2+]CC2)C(C)(C)C)c1 ZINC000346858716 264110185 /nfs/dbraw/zinc/11/01/85/264110185.db2.gz RRJJTGBOLSBKOC-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC000346863775 264111008 /nfs/dbraw/zinc/11/10/08/264111008.db2.gz YHCOGLVSRVRMIH-GVDBMIGSSA-N 2 1 318.461 3.042 20 0 DGADMP c1cc2c(c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)NCC2 ZINC000347011325 264139716 /nfs/dbraw/zinc/13/97/16/264139716.db2.gz UOTKPWSGFQSKAP-VQIMIIECSA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c1)NCC2 ZINC000347011325 264139718 /nfs/dbraw/zinc/13/97/18/264139718.db2.gz UOTKPWSGFQSKAP-VQIMIIECSA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1)NCC2 ZINC000347011325 264139720 /nfs/dbraw/zinc/13/97/20/264139720.db2.gz UOTKPWSGFQSKAP-VQIMIIECSA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)NCC2 ZINC000347011317 264139876 /nfs/dbraw/zinc/13/98/76/264139876.db2.gz UOTKPWSGFQSKAP-APWZRJJASA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c1)NCC2 ZINC000347011317 264139878 /nfs/dbraw/zinc/13/98/78/264139878.db2.gz UOTKPWSGFQSKAP-APWZRJJASA-N 2 1 311.473 3.103 20 0 DGADMP c1cc2c(c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1)NCC2 ZINC000347011317 264139879 /nfs/dbraw/zinc/13/98/79/264139879.db2.gz UOTKPWSGFQSKAP-APWZRJJASA-N 2 1 311.473 3.103 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347012284 264140273 /nfs/dbraw/zinc/14/02/73/264140273.db2.gz HCYCAQFBBBDVJN-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347012284 264140282 /nfs/dbraw/zinc/14/02/82/264140282.db2.gz HCYCAQFBBBDVJN-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347038962 264144545 /nfs/dbraw/zinc/14/45/45/264144545.db2.gz JDCRXXVZWXFZIX-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347038962 264144547 /nfs/dbraw/zinc/14/45/47/264144547.db2.gz JDCRXXVZWXFZIX-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347034850 264144851 /nfs/dbraw/zinc/14/48/51/264144851.db2.gz DAODZXINZSSHDD-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347034850 264144852 /nfs/dbraw/zinc/14/48/52/264144852.db2.gz DAODZXINZSSHDD-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCC(C)(C)CC(=O)OCC)CC1 ZINC000347047526 264147213 /nfs/dbraw/zinc/14/72/13/264147213.db2.gz HISIDTNQMPCRDT-UHFFFAOYSA-N 2 1 312.498 3.162 20 0 DGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347125106 264161266 /nfs/dbraw/zinc/16/12/66/264161266.db2.gz XMOUESFPXTZJIG-YOFSQIOKSA-N 2 1 307.441 3.463 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347152817 264166099 /nfs/dbraw/zinc/16/60/99/264166099.db2.gz BHWNOXXLLRMZNU-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347152817 264166101 /nfs/dbraw/zinc/16/61/01/264166101.db2.gz BHWNOXXLLRMZNU-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347182124 264171228 /nfs/dbraw/zinc/17/12/28/264171228.db2.gz WEDSLZLZTCVICK-HNNXBMFYSA-N 2 1 313.420 3.319 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347182124 264171230 /nfs/dbraw/zinc/17/12/30/264171230.db2.gz WEDSLZLZTCVICK-HNNXBMFYSA-N 2 1 313.420 3.319 20 0 DGADMP COC1CC([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000347196772 264173909 /nfs/dbraw/zinc/17/39/09/264173909.db2.gz UYFBYDYZVKKHBC-VNCLNFNDSA-N 2 1 302.462 3.186 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347194474 264174121 /nfs/dbraw/zinc/17/41/21/264174121.db2.gz GYQAKTZAFDWJPV-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347207363 264175913 /nfs/dbraw/zinc/17/59/13/264175913.db2.gz MYMAYTOWRDETBL-JSGCOSHPSA-N 2 1 318.852 3.289 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347211776 264176301 /nfs/dbraw/zinc/17/63/01/264176301.db2.gz PDMUMXNZWCAKKJ-RHSMWYFYSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217910 264177193 /nfs/dbraw/zinc/17/71/93/264177193.db2.gz SAQKBNGKCJWYAE-HOCLYGCPSA-N 2 1 304.482 3.027 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217910 264177195 /nfs/dbraw/zinc/17/71/95/264177195.db2.gz SAQKBNGKCJWYAE-HOCLYGCPSA-N 2 1 304.482 3.027 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1Oc1cccnc1 ZINC000347228082 264179000 /nfs/dbraw/zinc/17/90/00/264179000.db2.gz XAJJMDQFSRQTCG-KRWDZBQOSA-N 2 1 311.429 3.353 20 0 DGADMP CN1CC[C@H](C[N@@H+](C)C[C@@H]2Cc3ccccc32)[C@@H]1c1cccnc1 ZINC000347259234 264184801 /nfs/dbraw/zinc/18/48/01/264184801.db2.gz YJDASOZNIARNEJ-DYXWJJEUSA-N 2 1 321.468 3.346 20 0 DGADMP CN1CC[C@H](C[N@@H+](C)C[C@@H]2Cc3ccccc32)[C@H]1c1cccnc1 ZINC000347259246 264184900 /nfs/dbraw/zinc/18/49/00/264184900.db2.gz YJDASOZNIARNEJ-SVFBPWRDSA-N 2 1 321.468 3.346 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347320518 264196175 /nfs/dbraw/zinc/19/61/75/264196175.db2.gz AIUPGKXXNTUIPL-VYDXJSESSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347320518 264196177 /nfs/dbraw/zinc/19/61/77/264196177.db2.gz AIUPGKXXNTUIPL-VYDXJSESSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347320518 264196180 /nfs/dbraw/zinc/19/61/80/264196180.db2.gz AIUPGKXXNTUIPL-VYDXJSESSA-N 2 1 304.409 3.256 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000347420771 264218304 /nfs/dbraw/zinc/21/83/04/264218304.db2.gz DKFQDCPCTOELIT-QGZVFWFLSA-N 2 1 321.852 3.338 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2SCCc3ccccc32)[C@H](C)C1 ZINC000347425189 264218842 /nfs/dbraw/zinc/21/88/42/264218842.db2.gz XXESFGBLBXSFMA-FHLIZLRMSA-N 2 1 304.503 3.337 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000347575710 264244451 /nfs/dbraw/zinc/24/44/51/264244451.db2.gz XUDZVMSWWDZRBH-UHFFFAOYSA-N 2 1 322.468 3.396 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347901613 264302506 /nfs/dbraw/zinc/30/25/06/264302506.db2.gz LILCVNPRVIRQMF-APWZRJJASA-N 2 1 303.494 3.423 20 0 DGADMP Cc1nc(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000347944529 264310745 /nfs/dbraw/zinc/31/07/45/264310745.db2.gz XNEDLSQWHIMKCF-HIFRSBDPSA-N 2 1 307.507 3.237 20 0 DGADMP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043039 264327553 /nfs/dbraw/zinc/32/75/53/264327553.db2.gz KRXYCALGYSRJIN-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043039 264327556 /nfs/dbraw/zinc/32/75/56/264327556.db2.gz KRXYCALGYSRJIN-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043039 264327557 /nfs/dbraw/zinc/32/75/57/264327557.db2.gz KRXYCALGYSRJIN-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043039 264327559 /nfs/dbraw/zinc/32/75/59/264327559.db2.gz KRXYCALGYSRJIN-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000348057911 264330581 /nfs/dbraw/zinc/33/05/81/264330581.db2.gz UWZINJDOODUISF-DZGCQCFKSA-N 2 1 316.367 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000348057911 264330583 /nfs/dbraw/zinc/33/05/83/264330583.db2.gz UWZINJDOODUISF-DZGCQCFKSA-N 2 1 316.367 3.023 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348088663 264337589 /nfs/dbraw/zinc/33/75/89/264337589.db2.gz RSPBSPTWROLIHP-HZSPNIEDSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348088663 264337591 /nfs/dbraw/zinc/33/75/91/264337591.db2.gz RSPBSPTWROLIHP-HZSPNIEDSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@H]([NH2+][C@@]1(C)CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348129753 264348392 /nfs/dbraw/zinc/34/83/92/264348392.db2.gz IGEVLALSNJIWEW-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000348217723 264367790 /nfs/dbraw/zinc/36/77/90/264367790.db2.gz GQKJDDNDJBPIBI-KRWDZBQOSA-N 2 1 324.472 3.483 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H](F)C3)CC2)cc1 ZINC000348338929 264393131 /nfs/dbraw/zinc/39/31/31/264393131.db2.gz VYUSZCVKQXXIET-FUHWJXTLSA-N 2 1 308.416 3.313 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000351857776 264837321 /nfs/dbraw/zinc/83/73/21/264837321.db2.gz YLIZIOAKZBOWPG-QAPCUYQASA-N 2 1 323.440 3.108 20 0 DGADMP Cc1ccnc(N2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)c1 ZINC000352344256 265009102 /nfs/dbraw/zinc/00/91/02/265009102.db2.gz DFUMAYCTKIEDIJ-WBVHZDCISA-N 2 1 311.429 3.429 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352504578 265072507 /nfs/dbraw/zinc/07/25/07/265072507.db2.gz RSJQXLIFAVTZMI-UHFFFAOYSA-N 2 1 312.461 3.279 20 0 DGADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1Cl)CC1CCCC1 ZINC000352512729 265075129 /nfs/dbraw/zinc/07/51/29/265075129.db2.gz ZQQCIFIYEFKOEW-UHFFFAOYSA-N 2 1 323.868 3.120 20 0 DGADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1Cl)CC1CCCC1 ZINC000352512729 265075133 /nfs/dbraw/zinc/07/51/33/265075133.db2.gz ZQQCIFIYEFKOEW-UHFFFAOYSA-N 2 1 323.868 3.120 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccsc2)no1)CC1CCCC1 ZINC000352517916 265077307 /nfs/dbraw/zinc/07/73/07/265077307.db2.gz FZKAXZSLVHDWOU-UHFFFAOYSA-N 2 1 320.462 3.139 20 0 DGADMP [NH3+]CCC[N@H+](Cc1nc(-c2ccsc2)no1)CC1CCCC1 ZINC000352517916 265077309 /nfs/dbraw/zinc/07/73/09/265077309.db2.gz FZKAXZSLVHDWOU-UHFFFAOYSA-N 2 1 320.462 3.139 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000352534025 265080609 /nfs/dbraw/zinc/08/06/09/265080609.db2.gz CJHNGZLHRWZREM-BEFAXECRSA-N 2 1 320.452 3.088 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000352527394 265081205 /nfs/dbraw/zinc/08/12/05/265081205.db2.gz ZWKBMSQHDYDZPJ-INIZCTEOSA-N 2 1 318.852 3.229 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000352527394 265081207 /nfs/dbraw/zinc/08/12/07/265081207.db2.gz ZWKBMSQHDYDZPJ-INIZCTEOSA-N 2 1 318.852 3.229 20 0 DGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352705864 265135795 /nfs/dbraw/zinc/13/57/95/265135795.db2.gz RSTIYZPDJSQUBX-IBGZPJMESA-N 2 1 309.457 3.256 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2Cc3ccccc3C2)s1 ZINC000352713942 265137749 /nfs/dbraw/zinc/13/77/49/265137749.db2.gz UZUHQFNPEQLDSY-UHFFFAOYSA-N 2 1 315.486 3.099 20 0 DGADMP CCc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000352754782 265152408 /nfs/dbraw/zinc/15/24/08/265152408.db2.gz JVFNYPPIRIEODL-UHFFFAOYSA-N 2 1 310.445 3.106 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3ccccc3)CCC2)s1 ZINC000352754758 265152759 /nfs/dbraw/zinc/15/27/59/265152759.db2.gz JRNDQKYBNBNXMQ-UHFFFAOYSA-N 2 1 315.486 3.460 20 0 DGADMP Cc1cccc(C)c1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352769500 265159439 /nfs/dbraw/zinc/15/94/39/265159439.db2.gz NIZJIUPXILKYPL-UHFFFAOYSA-N 2 1 303.475 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000352813509 265178617 /nfs/dbraw/zinc/17/86/17/265178617.db2.gz BUMARCMRVMYCMT-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000352813509 265178621 /nfs/dbraw/zinc/17/86/21/265178621.db2.gz BUMARCMRVMYCMT-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000352813509 265178623 /nfs/dbraw/zinc/17/86/23/265178623.db2.gz BUMARCMRVMYCMT-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCOCC4CC4)C3)C2)cc1 ZINC000352826733 265182621 /nfs/dbraw/zinc/18/26/21/265182621.db2.gz SOEBXAATSLWSLP-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCOCC4CC4)C3)C2)cc1 ZINC000352826733 265182623 /nfs/dbraw/zinc/18/26/23/265182623.db2.gz SOEBXAATSLWSLP-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000352826733 265182624 /nfs/dbraw/zinc/18/26/24/265182624.db2.gz SOEBXAATSLWSLP-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000352826733 265182627 /nfs/dbraw/zinc/18/26/27/265182627.db2.gz SOEBXAATSLWSLP-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000352822831 265183981 /nfs/dbraw/zinc/18/39/81/265183981.db2.gz HIBKEMMTWYNCNF-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000352822831 265183986 /nfs/dbraw/zinc/18/39/86/265183986.db2.gz HIBKEMMTWYNCNF-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP C[C@H](CC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352828132 265185924 /nfs/dbraw/zinc/18/59/24/265185924.db2.gz UFFHRQUVVJTLRY-CQSZACIVSA-N 2 1 303.475 3.488 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]C2CCC3(CCCC3)CC2)CC1(C)C ZINC000352863457 265204417 /nfs/dbraw/zinc/20/44/17/265204417.db2.gz VBDFDOMFBPYTSQ-UHFFFAOYSA-N 2 1 307.526 3.105 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128559 265310199 /nfs/dbraw/zinc/31/01/99/265310199.db2.gz ROXKDAFVYQMFHF-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128559 265310201 /nfs/dbraw/zinc/31/02/01/265310201.db2.gz ROXKDAFVYQMFHF-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353128559 265310203 /nfs/dbraw/zinc/31/02/03/265310203.db2.gz ROXKDAFVYQMFHF-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353128559 265310205 /nfs/dbraw/zinc/31/02/05/265310205.db2.gz ROXKDAFVYQMFHF-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C)cc1 ZINC000353321384 265389084 /nfs/dbraw/zinc/38/90/84/265389084.db2.gz PSHHZDYLKFJCTN-RBUKOAKNSA-N 2 1 304.478 3.129 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000353932960 265602253 /nfs/dbraw/zinc/60/22/53/265602253.db2.gz UHSVJVDMJZEVCO-BDXSIMOUSA-N 2 1 324.509 3.066 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354486770 265787200 /nfs/dbraw/zinc/78/72/00/265787200.db2.gz BKHNUVUGIIJUCV-IAGOWNOFSA-N 2 1 312.461 3.143 20 0 DGADMP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213557 266002245 /nfs/dbraw/zinc/00/22/45/266002245.db2.gz FIRZEWODZONHMI-WWPOYFSUSA-N 2 1 307.441 3.207 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000355229117 266007927 /nfs/dbraw/zinc/00/79/27/266007927.db2.gz YGFFNKTZMVOYHF-SZVBFZGTSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2ccccc2o1 ZINC000355229117 266007937 /nfs/dbraw/zinc/00/79/37/266007937.db2.gz YGFFNKTZMVOYHF-SZVBFZGTSA-N 2 1 314.429 3.116 20 0 DGADMP C(=C\c1ccncc1)\C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355286259 266027265 /nfs/dbraw/zinc/02/72/65/266027265.db2.gz HRKRERAEMRLZOK-VPELESPFSA-N 2 1 319.452 3.159 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](CCCOC)Cc2ccccc2)CC1 ZINC000355326831 266038513 /nfs/dbraw/zinc/03/85/13/266038513.db2.gz DLDVQXMJQLZNIL-LJQANCHMSA-N 2 1 304.478 3.098 20 0 DGADMP CCOCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355782537 266182770 /nfs/dbraw/zinc/18/27/70/266182770.db2.gz LRBXWSRDJCRWCS-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CCOCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355782537 266182772 /nfs/dbraw/zinc/18/27/72/266182772.db2.gz LRBXWSRDJCRWCS-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CCOCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355782537 266182774 /nfs/dbraw/zinc/18/27/74/266182774.db2.gz LRBXWSRDJCRWCS-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CCN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904429 266224633 /nfs/dbraw/zinc/22/46/33/266224633.db2.gz FGXIXBFIRSXDPP-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904429 266224634 /nfs/dbraw/zinc/22/46/34/266224634.db2.gz FGXIXBFIRSXDPP-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904429 266224637 /nfs/dbraw/zinc/22/46/37/266224637.db2.gz FGXIXBFIRSXDPP-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904429 266224638 /nfs/dbraw/zinc/22/46/38/266224638.db2.gz FGXIXBFIRSXDPP-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000355904429 266224640 /nfs/dbraw/zinc/22/46/40/266224640.db2.gz FGXIXBFIRSXDPP-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccn(C)c2)CC1)CC1CC1 ZINC000355901476 266224799 /nfs/dbraw/zinc/22/47/99/266224799.db2.gz NJBHUYNXJJNDLF-UHFFFAOYSA-N 2 1 303.494 3.359 20 0 DGADMP COC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000368530621 271165885 /nfs/dbraw/zinc/16/58/85/271165885.db2.gz OGCRTPRCVRPWNP-RBUKOAKNSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1C(C)(C)C ZINC000191349662 432254185 /nfs/dbraw/zinc/25/41/85/432254185.db2.gz ZCGVDZZTUYSQGA-AWEZNQCLSA-N 2 1 306.498 3.470 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000247932046 432254563 /nfs/dbraw/zinc/25/45/63/432254563.db2.gz CCJBBPUJZAWIOI-VYDXJSESSA-N 2 1 308.491 3.146 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000247932046 432254567 /nfs/dbraw/zinc/25/45/67/432254567.db2.gz CCJBBPUJZAWIOI-VYDXJSESSA-N 2 1 308.491 3.146 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1SC ZINC000270537862 432256280 /nfs/dbraw/zinc/25/62/80/432256280.db2.gz WOBMVNPJXBWKIB-JKSUJKDBSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1SC ZINC000270537862 432256285 /nfs/dbraw/zinc/25/62/85/432256285.db2.gz WOBMVNPJXBWKIB-JKSUJKDBSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1SC ZINC000270537862 432256290 /nfs/dbraw/zinc/25/62/90/432256290.db2.gz WOBMVNPJXBWKIB-JKSUJKDBSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1SC ZINC000270537862 432256293 /nfs/dbraw/zinc/25/62/93/432256293.db2.gz WOBMVNPJXBWKIB-JKSUJKDBSA-N 2 1 320.502 3.333 20 0 DGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278903238 273554000 /nfs/dbraw/zinc/55/40/00/273554000.db2.gz FXBAPVGIADDXMO-WMZOPIPTSA-N 2 1 315.436 3.442 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCOC1 ZINC000247958183 432257350 /nfs/dbraw/zinc/25/73/50/432257350.db2.gz FWDYSHBGEJTUDF-LJIGWXMPSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCOC1 ZINC000247958183 432257352 /nfs/dbraw/zinc/25/73/52/432257352.db2.gz FWDYSHBGEJTUDF-LJIGWXMPSA-N 2 1 308.491 3.146 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C2 ZINC000192441999 274151940 /nfs/dbraw/zinc/15/19/40/274151940.db2.gz FPQDVZVXLKNWBK-MRXNPFEDSA-N 2 1 302.462 3.017 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C2 ZINC000192441999 274151943 /nfs/dbraw/zinc/15/19/43/274151943.db2.gz FPQDVZVXLKNWBK-MRXNPFEDSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409711 274347731 /nfs/dbraw/zinc/34/77/31/274347731.db2.gz IIFCTDGLMFHJKN-WBVHZDCISA-N 2 1 320.477 3.384 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409711 274347734 /nfs/dbraw/zinc/34/77/34/274347734.db2.gz IIFCTDGLMFHJKN-WBVHZDCISA-N 2 1 320.477 3.384 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCO[C@@H](C(C)C)C3)CC2)[nH+]1 ZINC000345052255 274793621 /nfs/dbraw/zinc/79/36/21/274793621.db2.gz BKHVSUOLBWYVCV-QZTJIDSGSA-N 2 1 317.477 3.152 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423004719 287793605 /nfs/dbraw/zinc/79/36/05/287793605.db2.gz PWRAYAQJBAZXGM-KATXQCMRSA-N 2 1 314.473 3.372 20 0 DGADMP CC(C)Oc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247978381 432260052 /nfs/dbraw/zinc/26/00/52/432260052.db2.gz IBMMNINKSGEENN-WMZOPIPTSA-N 2 1 302.462 3.390 20 0 DGADMP c1ccc(CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423495227 275066891 /nfs/dbraw/zinc/06/68/91/275066891.db2.gz UCNLXCONACCDNM-NHCUHLMSSA-N 2 1 324.468 3.329 20 0 DGADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414785365 275369012 /nfs/dbraw/zinc/36/90/12/275369012.db2.gz SNHXIJYPTXDUTR-LSDHHAIUSA-N 2 1 323.278 3.271 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453132245 276046366 /nfs/dbraw/zinc/04/63/66/276046366.db2.gz XWKMCRRRGWMVPZ-MTQWCTHYSA-N 2 1 316.489 3.180 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000124008364 276076181 /nfs/dbraw/zinc/07/61/81/276076181.db2.gz GPPWKUHNLVDGAR-SFHVURJKSA-N 2 1 312.461 3.039 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247971816 276110102 /nfs/dbraw/zinc/11/01/02/276110102.db2.gz JMODVKQMQLVYPS-LPHOPBHVSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247971816 276110104 /nfs/dbraw/zinc/11/01/04/276110104.db2.gz JMODVKQMQLVYPS-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247971816 276110105 /nfs/dbraw/zinc/11/01/05/276110105.db2.gz JMODVKQMQLVYPS-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247971816 276110106 /nfs/dbraw/zinc/11/01/06/276110106.db2.gz JMODVKQMQLVYPS-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000163766760 276110835 /nfs/dbraw/zinc/11/08/35/276110835.db2.gz CENJLHVIWSXUMJ-YLJYHZDGSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000163766760 276110836 /nfs/dbraw/zinc/11/08/36/276110836.db2.gz CENJLHVIWSXUMJ-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000163766760 276110837 /nfs/dbraw/zinc/11/08/37/276110837.db2.gz CENJLHVIWSXUMJ-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)[C@H](C)C1 ZINC000163766760 276110838 /nfs/dbraw/zinc/11/08/38/276110838.db2.gz CENJLHVIWSXUMJ-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011762 277059793 /nfs/dbraw/zinc/05/97/93/277059793.db2.gz KWESLIPKISCXOC-RTBURBONSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011762 277059794 /nfs/dbraw/zinc/05/97/94/277059794.db2.gz KWESLIPKISCXOC-RTBURBONSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011762 277059795 /nfs/dbraw/zinc/05/97/95/277059795.db2.gz KWESLIPKISCXOC-RTBURBONSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011762 277059796 /nfs/dbraw/zinc/05/97/96/277059796.db2.gz KWESLIPKISCXOC-RTBURBONSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459533429 277060171 /nfs/dbraw/zinc/06/01/71/277060171.db2.gz VPEJSIXDUGVCDW-GOSISDBHSA-N 2 1 314.473 3.035 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145850 277160901 /nfs/dbraw/zinc/16/09/01/277160901.db2.gz FSZBHQCZTONDAW-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145850 277160902 /nfs/dbraw/zinc/16/09/02/277160902.db2.gz FSZBHQCZTONDAW-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145850 277160903 /nfs/dbraw/zinc/16/09/03/277160903.db2.gz FSZBHQCZTONDAW-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC000430145850 277160904 /nfs/dbraw/zinc/16/09/04/277160904.db2.gz FSZBHQCZTONDAW-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423197713 277268436 /nfs/dbraw/zinc/26/84/36/277268436.db2.gz ATLCFBJZKHPAQT-ZDUSSCGKSA-N 2 1 306.397 3.309 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000261976633 277283319 /nfs/dbraw/zinc/28/33/19/277283319.db2.gz QXGVAMBZURIAEA-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000414917883 277686036 /nfs/dbraw/zinc/68/60/36/277686036.db2.gz SHSWGBVDCSOSTM-QRQLOZEOSA-N 3 1 307.526 3.009 20 0 DGADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423079185 278215574 /nfs/dbraw/zinc/21/55/74/278215574.db2.gz XOTWICGIQNQWMY-OKZBNKHCSA-N 2 1 307.526 3.009 20 0 DGADMP CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423079185 278215575 /nfs/dbraw/zinc/21/55/75/278215575.db2.gz XOTWICGIQNQWMY-OKZBNKHCSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000336719375 278228055 /nfs/dbraw/zinc/22/80/55/278228055.db2.gz RYRUPTDLASMXCQ-PKOBYXMFSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422842091 278294796 /nfs/dbraw/zinc/29/47/96/278294796.db2.gz XOKHKCXKPVDYHF-FUHWJXTLSA-N 3 1 307.526 3.294 20 0 DGADMP C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411249581 278299695 /nfs/dbraw/zinc/29/96/95/278299695.db2.gz DFYNFNYYEQGRBP-PXNSSMCTSA-N 2 1 316.489 3.408 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422726972 278358678 /nfs/dbraw/zinc/35/86/78/278358678.db2.gz BAWFWFWEXKQSTL-MRXNPFEDSA-N 3 1 315.505 3.149 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422726972 278358679 /nfs/dbraw/zinc/35/86/79/278358679.db2.gz BAWFWFWEXKQSTL-MRXNPFEDSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422726972 278358680 /nfs/dbraw/zinc/35/86/80/278358680.db2.gz BAWFWFWEXKQSTL-MRXNPFEDSA-N 2 1 315.505 3.149 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000340214885 279094114 /nfs/dbraw/zinc/09/41/14/279094114.db2.gz ZDZCSEQOUSXCBA-OKYOBFRVSA-N 2 1 310.526 3.370 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916539 288107198 /nfs/dbraw/zinc/10/71/98/288107198.db2.gz OXBXNBMPVKECLD-MBOZVWFJSA-N 3 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916539 288107199 /nfs/dbraw/zinc/10/71/99/288107199.db2.gz OXBXNBMPVKECLD-MBOZVWFJSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916539 288107200 /nfs/dbraw/zinc/10/72/00/288107200.db2.gz OXBXNBMPVKECLD-MBOZVWFJSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916539 288107202 /nfs/dbraw/zinc/10/72/02/288107202.db2.gz OXBXNBMPVKECLD-MBOZVWFJSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467361125 279306435 /nfs/dbraw/zinc/30/64/35/279306435.db2.gz ZCMOHDYGHJPELF-NCXUSEDFSA-N 2 1 308.510 3.436 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000070170695 431241098 /nfs/dbraw/zinc/24/10/98/431241098.db2.gz TZEIGQPNDIPKKI-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP c1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834431 431499602 /nfs/dbraw/zinc/49/96/02/431499602.db2.gz SCJGMCSYUONEAW-SFHVURJKSA-N 2 1 302.462 3.263 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000076003620 431515503 /nfs/dbraw/zinc/51/55/03/431515503.db2.gz IZSIYBFRNVDVIX-MRXNPFEDSA-N 2 1 308.441 3.258 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000484725397 280254736 /nfs/dbraw/zinc/25/47/36/280254736.db2.gz CUIRWXRBEJNTMS-VNTMZGSJSA-N 2 1 316.489 3.173 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000430719479 280328804 /nfs/dbraw/zinc/32/88/04/280328804.db2.gz FLZDRKNJFJQNBE-OTWHNJEPSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119166989 431657190 /nfs/dbraw/zinc/65/71/90/431657190.db2.gz BXIFYCGRFCRPKL-BZPMIXESSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119166989 431657194 /nfs/dbraw/zinc/65/71/94/431657194.db2.gz BXIFYCGRFCRPKL-BZPMIXESSA-N 2 1 316.367 3.404 20 0 DGADMP C[N@H+](Cc1ccc(F)c2cccnc12)C[C@@H]1CCC[NH+](C)C1 ZINC000118841341 431619472 /nfs/dbraw/zinc/61/94/72/431619472.db2.gz AVHWKGVFDHHXSN-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841341 431619476 /nfs/dbraw/zinc/61/94/76/431619476.db2.gz AVHWKGVFDHHXSN-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841341 431619480 /nfs/dbraw/zinc/61/94/80/431619480.db2.gz AVHWKGVFDHHXSN-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000121481376 431790880 /nfs/dbraw/zinc/79/08/80/431790880.db2.gz BBQNWCYBSYTRPZ-MRXNPFEDSA-N 2 1 312.461 3.086 20 0 DGADMP Cc1cnccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000121411626 431782887 /nfs/dbraw/zinc/78/28/87/431782887.db2.gz JYRYVWCTQKJPIS-QGZVFWFLSA-N 2 1 324.428 3.176 20 0 DGADMP COCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122663101 431841181 /nfs/dbraw/zinc/84/11/81/431841181.db2.gz UHJROECYOFFRPS-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CC=CCC3)CC2)oc1C ZINC000122738922 431843420 /nfs/dbraw/zinc/84/34/20/431843420.db2.gz MALYYWLTFPVXOD-QGZVFWFLSA-N 2 1 317.477 3.449 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122821516 431845479 /nfs/dbraw/zinc/84/54/79/431845479.db2.gz CMALNBBLJMBNSY-LPHOPBHVSA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000122867383 431846869 /nfs/dbraw/zinc/84/68/69/431846869.db2.gz TXLPLHMYFAPLDB-FZMZJTMJSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000122867383 431846873 /nfs/dbraw/zinc/84/68/73/431846873.db2.gz TXLPLHMYFAPLDB-FZMZJTMJSA-N 2 1 317.260 3.431 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000124988326 431910354 /nfs/dbraw/zinc/91/03/54/431910354.db2.gz SUTFCEIECJOIKY-RLLQIKCJSA-N 2 1 315.505 3.204 20 0 DGADMP COc1cc(CN(C)CC[C@@H]2CCC[N@H+]2C)ccc1SC ZINC000125042358 431911939 /nfs/dbraw/zinc/91/19/39/431911939.db2.gz KJVXQDQTNSUEOL-HNNXBMFYSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1SC ZINC000125042358 431911941 /nfs/dbraw/zinc/91/19/41/431911941.db2.gz KJVXQDQTNSUEOL-HNNXBMFYSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1SC ZINC000125042358 431911944 /nfs/dbraw/zinc/91/19/44/431911944.db2.gz KJVXQDQTNSUEOL-HNNXBMFYSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)ccc1SC ZINC000125042358 431911947 /nfs/dbraw/zinc/91/19/47/431911947.db2.gz KJVXQDQTNSUEOL-HNNXBMFYSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)ccc1SC ZINC000125042358 431911948 /nfs/dbraw/zinc/91/19/48/431911948.db2.gz KJVXQDQTNSUEOL-HNNXBMFYSA-N 2 1 308.491 3.333 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000125144271 431915245 /nfs/dbraw/zinc/91/52/45/431915245.db2.gz CLHFTEAMBOZLGA-INIZCTEOSA-N 2 1 312.461 3.227 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000125213134 431917804 /nfs/dbraw/zinc/91/78/04/431917804.db2.gz IPOHHRUXFCSLPI-KXBFYZLASA-N 2 1 302.462 3.227 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1 ZINC000124343533 431891160 /nfs/dbraw/zinc/89/11/60/431891160.db2.gz NFJJSIXCKUWZOA-HXUWFJFHSA-N 2 1 317.521 3.309 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000124348863 431891211 /nfs/dbraw/zinc/89/12/11/431891211.db2.gz ADRNBGPZMZMNSM-HOTGVXAUSA-N 2 1 310.445 3.007 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000124360747 431891846 /nfs/dbraw/zinc/89/18/46/431891846.db2.gz RLURXZIKCHLFDU-WMLDXEAASA-N 2 1 318.461 3.229 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCO2 ZINC000124387910 431892510 /nfs/dbraw/zinc/89/25/10/431892510.db2.gz UTCZOPWLXFYREE-KBXCAEBGSA-N 2 1 300.446 3.147 20 0 DGADMP Cc1cccc(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000091058319 431901498 /nfs/dbraw/zinc/90/14/98/431901498.db2.gz LPONQQMAVZDCMM-HDICACEKSA-N 2 1 304.478 3.282 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000124852583 431906631 /nfs/dbraw/zinc/90/66/31/431906631.db2.gz SFMKMETXLSKRCP-MAUKXSAKSA-N 2 1 317.477 3.197 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000127388677 431970759 /nfs/dbraw/zinc/97/07/59/431970759.db2.gz GGDSAIUKADOFGP-JLCFBVMHSA-N 2 1 319.474 3.012 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000127388677 431970762 /nfs/dbraw/zinc/97/07/62/431970762.db2.gz GGDSAIUKADOFGP-JLCFBVMHSA-N 2 1 319.474 3.012 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000127449789 431972275 /nfs/dbraw/zinc/97/22/75/431972275.db2.gz OHCAWAQGYCRNQM-OAHLLOKOSA-N 2 1 317.458 3.381 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000127449789 431972278 /nfs/dbraw/zinc/97/22/78/431972278.db2.gz OHCAWAQGYCRNQM-OAHLLOKOSA-N 2 1 317.458 3.381 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000125979350 431939730 /nfs/dbraw/zinc/93/97/30/431939730.db2.gz FPYBBRZRAGWIIW-GJZGRUSLSA-N 2 1 304.434 3.186 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2=CCCOC2)C1 ZINC000126508898 431952140 /nfs/dbraw/zinc/95/21/40/431952140.db2.gz URPRCZSYJLWHQH-QGZVFWFLSA-N 2 1 314.473 3.355 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127779608 431980649 /nfs/dbraw/zinc/98/06/49/431980649.db2.gz LIDDIBJWVFCCKZ-IGCXYCKISA-N 2 1 303.425 3.168 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000128098231 431987490 /nfs/dbraw/zinc/98/74/90/431987490.db2.gz XGPILQDNRFGNBY-CQSZACIVSA-N 2 1 301.409 3.460 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432412628 281272474 /nfs/dbraw/zinc/27/24/74/281272474.db2.gz CJGKKKSCORKQOM-VQIMIIECSA-N 2 1 302.462 3.073 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000128250264 431990830 /nfs/dbraw/zinc/99/08/30/431990830.db2.gz YOEPBSGYXZWMNX-INIZCTEOSA-N 2 1 312.461 3.317 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000183197738 432268915 /nfs/dbraw/zinc/26/89/15/432268915.db2.gz JBSBRZQGZAPCED-OWCLPIDISA-N 2 1 304.482 3.207 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000183197738 432268918 /nfs/dbraw/zinc/26/89/18/432268918.db2.gz JBSBRZQGZAPCED-OWCLPIDISA-N 2 1 304.482 3.207 20 0 DGADMP CCn1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000183197668 432269151 /nfs/dbraw/zinc/26/91/51/432269151.db2.gz JBSBRZQGZAPCED-ARFHVFGLSA-N 2 1 304.482 3.207 20 0 DGADMP CCn1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000183197668 432269155 /nfs/dbraw/zinc/26/91/55/432269155.db2.gz JBSBRZQGZAPCED-ARFHVFGLSA-N 2 1 304.482 3.207 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000191489415 432271670 /nfs/dbraw/zinc/27/16/70/432271670.db2.gz SJYSAXLQMQGSFL-INIZCTEOSA-N 2 1 306.475 3.308 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000151731952 432271941 /nfs/dbraw/zinc/27/19/41/432271941.db2.gz ZQAFDACJZXFONM-OTWHNJEPSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000248185710 432273571 /nfs/dbraw/zinc/27/35/71/432273571.db2.gz XHJTUPCGILOLKN-OAGGEKHMSA-N 2 1 321.896 3.381 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000248185710 432273576 /nfs/dbraw/zinc/27/35/76/432273576.db2.gz XHJTUPCGILOLKN-OAGGEKHMSA-N 2 1 321.896 3.381 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000248174961 432274088 /nfs/dbraw/zinc/27/40/88/432274088.db2.gz VKKZERZGHLOOCA-MOPGFXCFSA-N 2 1 318.505 3.499 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000248175996 432274163 /nfs/dbraw/zinc/27/41/63/432274163.db2.gz VOHSATNYOCYSKA-KZNAEPCWSA-N 2 1 309.542 3.207 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000248175996 432274167 /nfs/dbraw/zinc/27/41/67/432274167.db2.gz VOHSATNYOCYSKA-KZNAEPCWSA-N 2 1 309.542 3.207 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000248175996 432274172 /nfs/dbraw/zinc/27/41/72/432274172.db2.gz VOHSATNYOCYSKA-KZNAEPCWSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000191529731 432274651 /nfs/dbraw/zinc/27/46/51/432274651.db2.gz PVWAQNKLQVPIDH-QUCCMNQESA-N 2 1 315.505 3.096 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000248452518 432294675 /nfs/dbraw/zinc/29/46/75/432294675.db2.gz PWBJYBLLQBLSRR-TZIWHRDSSA-N 2 1 322.452 3.030 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)CCn1cc[nH+]c1C)CCC2 ZINC000270838362 432295739 /nfs/dbraw/zinc/29/57/39/432295739.db2.gz FKCMNNSYMYWHSE-AWEZNQCLSA-N 2 1 304.463 3.220 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCn1cc[nH+]c1C)CCC2 ZINC000270838362 432295742 /nfs/dbraw/zinc/29/57/42/432295742.db2.gz FKCMNNSYMYWHSE-AWEZNQCLSA-N 2 1 304.463 3.220 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000248049289 432263561 /nfs/dbraw/zinc/26/35/61/432263561.db2.gz VXBQQJVQRCPGCM-RDJZCZTQSA-N 2 1 314.477 3.055 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271038544 432319570 /nfs/dbraw/zinc/31/95/70/432319570.db2.gz LJQYZMBTCOMEQB-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271038544 432319575 /nfs/dbraw/zinc/31/95/75/432319575.db2.gz LJQYZMBTCOMEQB-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000248824174 432320430 /nfs/dbraw/zinc/32/04/30/432320430.db2.gz CMMKVTXHMPYBTG-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152364177 432327239 /nfs/dbraw/zinc/32/72/39/432327239.db2.gz RXDPIGKWOSJVOZ-MLGOLLRUSA-N 2 1 306.450 3.437 20 0 DGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152435386 432331653 /nfs/dbraw/zinc/33/16/53/432331653.db2.gz UKVVAZMHQBAENZ-QFBILLFUSA-N 2 1 304.453 3.467 20 0 DGADMP C[C@@H]1CC[C@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000248979847 432333054 /nfs/dbraw/zinc/33/30/54/432333054.db2.gz VCTWIEFBCUBHEF-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000248979847 432333057 /nfs/dbraw/zinc/33/30/57/432333057.db2.gz VCTWIEFBCUBHEF-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000248979847 432333063 /nfs/dbraw/zinc/33/30/63/432333063.db2.gz VCTWIEFBCUBHEF-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152448108 432333857 /nfs/dbraw/zinc/33/38/57/432333857.db2.gz FEESBLHSVOGZOX-JYJNAYRXSA-N 2 1 302.462 3.261 20 0 DGADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832729 432305829 /nfs/dbraw/zinc/30/58/29/432305829.db2.gz VIUGWOGMBFJGIX-APWZRJJASA-N 2 1 314.429 3.221 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832729 432305831 /nfs/dbraw/zinc/30/58/31/432305831.db2.gz VIUGWOGMBFJGIX-APWZRJJASA-N 2 1 314.429 3.221 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833501 432306440 /nfs/dbraw/zinc/30/64/40/432306440.db2.gz QSYOSTYRNVHRRV-PXNSSMCTSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833501 432306443 /nfs/dbraw/zinc/30/64/43/432306443.db2.gz QSYOSTYRNVHRRV-PXNSSMCTSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000184266996 432372919 /nfs/dbraw/zinc/37/29/19/432372919.db2.gz GBDPRWJFVJWWQG-QGZVFWFLSA-N 2 1 309.457 3.489 20 0 DGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000184266996 432372922 /nfs/dbraw/zinc/37/29/22/432372922.db2.gz GBDPRWJFVJWWQG-QGZVFWFLSA-N 2 1 309.457 3.489 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C2 ZINC000192443471 432374507 /nfs/dbraw/zinc/37/45/07/432374507.db2.gz OLCKCZMDOCWJDD-KRWDZBQOSA-N 2 1 313.445 3.127 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cc2)C1 ZINC000192475462 432378253 /nfs/dbraw/zinc/37/82/53/432378253.db2.gz IPOJLJJWLBTSEX-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H](CC[NH2+]CC1=Cc2ccccc2OC1)[NH+]1CCCCC1 ZINC000184333384 432379765 /nfs/dbraw/zinc/37/97/65/432379765.db2.gz GDVFUAACWUHBPQ-INIZCTEOSA-N 2 1 300.446 3.317 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697382 432386707 /nfs/dbraw/zinc/38/67/07/432386707.db2.gz HAQAQJLSDQZVJP-UTUOFQBUSA-N 2 1 302.340 3.315 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271393632 432388059 /nfs/dbraw/zinc/38/80/59/432388059.db2.gz MHVAZLFESGPHFW-KRWDZBQOSA-N 2 1 323.444 3.096 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271393632 432388061 /nfs/dbraw/zinc/38/80/61/432388061.db2.gz MHVAZLFESGPHFW-KRWDZBQOSA-N 2 1 323.444 3.096 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153346593 432401261 /nfs/dbraw/zinc/40/12/61/432401261.db2.gz COVBEVGVYICLML-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153346593 432401264 /nfs/dbraw/zinc/40/12/64/432401264.db2.gz COVBEVGVYICLML-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472377 432402616 /nfs/dbraw/zinc/40/26/16/432402616.db2.gz HPRUMVLBQWEHAN-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472377 432402620 /nfs/dbraw/zinc/40/26/20/432402620.db2.gz HPRUMVLBQWEHAN-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000261564998 432430297 /nfs/dbraw/zinc/43/02/97/432430297.db2.gz XYNRQXQPEXKOKL-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000261564998 432430300 /nfs/dbraw/zinc/43/03/00/432430300.db2.gz XYNRQXQPEXKOKL-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539587 432430786 /nfs/dbraw/zinc/43/07/86/432430786.db2.gz CUQXEDWPZLPZIV-YZGWKJHDSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000261539587 432430790 /nfs/dbraw/zinc/43/07/90/432430790.db2.gz CUQXEDWPZLPZIV-YZGWKJHDSA-N 2 1 315.505 3.161 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000261564999 432431274 /nfs/dbraw/zinc/43/12/74/432431274.db2.gz XYNRQXQPEXKOKL-VQTJNVASSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000261564999 432431277 /nfs/dbraw/zinc/43/12/77/432431277.db2.gz XYNRQXQPEXKOKL-VQTJNVASSA-N 2 1 322.452 3.307 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000261563713 432431528 /nfs/dbraw/zinc/43/15/28/432431528.db2.gz XEYSVICYDZFYGA-CYBMUJFWSA-N 2 1 303.219 3.051 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000261745224 432446694 /nfs/dbraw/zinc/44/66/94/432446694.db2.gz PPUNRXZLONAJHF-KRWDZBQOSA-N 2 1 307.869 3.111 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000261745224 432446699 /nfs/dbraw/zinc/44/66/99/432446699.db2.gz PPUNRXZLONAJHF-KRWDZBQOSA-N 2 1 307.869 3.111 20 0 DGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000261833405 432454940 /nfs/dbraw/zinc/45/49/40/432454940.db2.gz YXUYMXQMCDPZGT-MRXNPFEDSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000261833405 432454943 /nfs/dbraw/zinc/45/49/43/432454943.db2.gz YXUYMXQMCDPZGT-MRXNPFEDSA-N 2 1 305.809 3.166 20 0 DGADMP NC1(c2noc([C@@H]3CCCN3Cc3ccccc3)n2)CCCC1 ZINC000261859040 432455842 /nfs/dbraw/zinc/45/58/42/432455842.db2.gz UELIUQFHLXLLFF-HNNXBMFYSA-N 2 1 312.417 3.135 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1(C)CC1 ZINC000153493917 432413898 /nfs/dbraw/zinc/41/38/98/432413898.db2.gz HHTOOZKWFRQFQH-HOTGVXAUSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1(C)CC1 ZINC000153493917 432413902 /nfs/dbraw/zinc/41/39/02/432413902.db2.gz HHTOOZKWFRQFQH-HOTGVXAUSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C ZINC000153493655 432414025 /nfs/dbraw/zinc/41/40/25/432414025.db2.gz VHLHDVGAHYAHQG-HOTGVXAUSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C ZINC000153493655 432414028 /nfs/dbraw/zinc/41/40/28/432414028.db2.gz VHLHDVGAHYAHQG-HOTGVXAUSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000153500069 432415959 /nfs/dbraw/zinc/41/59/59/432415959.db2.gz RCDVMQCNBGGTBS-DNVCBOLYSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000153500069 432415962 /nfs/dbraw/zinc/41/59/62/432415962.db2.gz RCDVMQCNBGGTBS-DNVCBOLYSA-N 2 1 302.462 3.186 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000184657115 432417395 /nfs/dbraw/zinc/41/73/95/432417395.db2.gz ZHDJJIZENVPDSM-ROUUACIJSA-N 2 1 308.510 3.388 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000271804391 432423608 /nfs/dbraw/zinc/42/36/08/432423608.db2.gz JSFLFIJNVDLBFX-UHFFFAOYSA-N 2 1 302.315 3.196 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Br)s1 ZINC000258904376 432426877 /nfs/dbraw/zinc/42/68/77/432426877.db2.gz DRPCCGNEKZNNTL-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262095393 432472583 /nfs/dbraw/zinc/47/25/83/432472583.db2.gz VBSHUNOODAJFJK-KRWDZBQOSA-N 2 1 301.821 3.074 20 0 DGADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262095393 432472587 /nfs/dbraw/zinc/47/25/87/432472587.db2.gz VBSHUNOODAJFJK-KRWDZBQOSA-N 2 1 301.821 3.074 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000262086565 432472857 /nfs/dbraw/zinc/47/28/57/432472857.db2.gz UIUGCHVEEJCNOS-FQEVSTJZSA-N 2 1 322.456 3.035 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000262086565 432472861 /nfs/dbraw/zinc/47/28/61/432472861.db2.gz UIUGCHVEEJCNOS-FQEVSTJZSA-N 2 1 322.456 3.035 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000262105311 432474143 /nfs/dbraw/zinc/47/41/43/432474143.db2.gz JFWFZPNCKVFOOQ-GUDVDZBRSA-N 2 1 303.494 3.177 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262126077 432474837 /nfs/dbraw/zinc/47/48/37/432474837.db2.gz LDEMXELCKRKUEZ-MELADBBJSA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262126077 432474841 /nfs/dbraw/zinc/47/48/41/432474841.db2.gz LDEMXELCKRKUEZ-MELADBBJSA-N 2 1 317.458 3.271 20 0 DGADMP CCOC1CC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272308582 432479954 /nfs/dbraw/zinc/47/99/54/432479954.db2.gz IFZJKQNYODKQND-XMZVIZOASA-N 2 1 302.462 3.054 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]21 ZINC000262333881 432482945 /nfs/dbraw/zinc/48/29/45/432482945.db2.gz SRZGLGONNSJRTB-XGWLTEMNSA-N 2 1 315.848 3.447 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272369547 432489773 /nfs/dbraw/zinc/48/97/73/432489773.db2.gz GIGVIVQZDQARHQ-AOIWGVFYSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272369547 432489779 /nfs/dbraw/zinc/48/97/79/432489779.db2.gz GIGVIVQZDQARHQ-AOIWGVFYSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376115 432490170 /nfs/dbraw/zinc/49/01/70/432490170.db2.gz VNCLVDODHQCIAI-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000262565497 432491243 /nfs/dbraw/zinc/49/12/43/432491243.db2.gz WLVYHTPGVHMROC-QEJZJMRPSA-N 2 1 315.848 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000262565497 432491249 /nfs/dbraw/zinc/49/12/49/432491249.db2.gz WLVYHTPGVHMROC-QEJZJMRPSA-N 2 1 315.848 3.366 20 0 DGADMP C[N@@H+](CCCNC(=O)CC1(C[NH3+])CCCCC1)C1CCCCC1 ZINC000185351230 432495211 /nfs/dbraw/zinc/49/52/11/432495211.db2.gz DJIXKXOTQOZGFR-UHFFFAOYSA-N 2 1 323.525 3.057 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487157 432510368 /nfs/dbraw/zinc/51/03/68/432510368.db2.gz MRDBASOMDSGOCM-RDTXWAMCSA-N 2 1 313.445 3.292 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272487157 432510373 /nfs/dbraw/zinc/51/03/73/432510373.db2.gz MRDBASOMDSGOCM-RDTXWAMCSA-N 2 1 313.445 3.292 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195195 432461118 /nfs/dbraw/zinc/46/11/18/432461118.db2.gz NITRMTASULPQLE-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000154021525 432464296 /nfs/dbraw/zinc/46/42/96/432464296.db2.gz ULLOIDPNVXJRMW-HDICACEKSA-N 2 1 307.526 3.057 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018445 432464818 /nfs/dbraw/zinc/46/48/18/432464818.db2.gz KIOZIFARNIGLSH-UAGQMJEPSA-N 2 1 309.523 3.061 20 0 DGADMP CCn1ccnc1C[N@@H+](CCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000262000911 432467996 /nfs/dbraw/zinc/46/79/96/432467996.db2.gz UBZXXDJIHBBXAT-INIZCTEOSA-N 2 1 318.509 3.283 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272246816 432470536 /nfs/dbraw/zinc/47/05/36/432470536.db2.gz XKMJBZPAJPYSPV-HNBVOPMISA-N 2 1 316.489 3.302 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC([NH+]3CCCCC3)CC2)c1C ZINC000263661560 432562860 /nfs/dbraw/zinc/56/28/60/432562860.db2.gz QWRGHVZJCYRSGD-UHFFFAOYSA-N 2 1 317.477 3.157 20 0 DGADMP COc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000155206154 432544571 /nfs/dbraw/zinc/54/45/71/432544571.db2.gz ADQLELHPZKIRMO-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000155206154 432544576 /nfs/dbraw/zinc/54/45/76/432544576.db2.gz ADQLELHPZKIRMO-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000155206154 432544578 /nfs/dbraw/zinc/54/45/78/432544578.db2.gz ADQLELHPZKIRMO-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000155206154 432544581 /nfs/dbraw/zinc/54/45/81/432544581.db2.gz ADQLELHPZKIRMO-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000155206154 432544585 /nfs/dbraw/zinc/54/45/85/432544585.db2.gz ADQLELHPZKIRMO-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000195134506 432607182 /nfs/dbraw/zinc/60/71/82/432607182.db2.gz JKPPYKLWPOICBA-ROUUACIJSA-N 2 1 316.489 3.444 20 0 DGADMP COCCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000156990033 432611588 /nfs/dbraw/zinc/61/15/88/432611588.db2.gz VFGBBKDQWRUEQW-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156990033 432611591 /nfs/dbraw/zinc/61/15/91/432611591.db2.gz VFGBBKDQWRUEQW-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156990033 432611594 /nfs/dbraw/zinc/61/15/94/432611594.db2.gz VFGBBKDQWRUEQW-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156990033 432611596 /nfs/dbraw/zinc/61/15/96/432611596.db2.gz VFGBBKDQWRUEQW-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156990033 432611599 /nfs/dbraw/zinc/61/15/99/432611599.db2.gz VFGBBKDQWRUEQW-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(O)c1 ZINC000194840291 432580679 /nfs/dbraw/zinc/58/06/79/432580679.db2.gz XUWLWPGYFYKFHN-MRXNPFEDSA-N 2 1 310.441 3.491 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(O)c1 ZINC000194840291 432580683 /nfs/dbraw/zinc/58/06/83/432580683.db2.gz XUWLWPGYFYKFHN-MRXNPFEDSA-N 2 1 310.441 3.491 20 0 DGADMP c1nc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)oc1-c1ccccc1 ZINC000156345227 432595415 /nfs/dbraw/zinc/59/54/15/432595415.db2.gz UBXMFBRBOHLMMK-KRWDZBQOSA-N 2 1 321.380 3.390 20 0 DGADMP c1nc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)oc1-c1ccccc1 ZINC000156345227 432595418 /nfs/dbraw/zinc/59/54/18/432595418.db2.gz UBXMFBRBOHLMMK-KRWDZBQOSA-N 2 1 321.380 3.390 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000273656612 432622425 /nfs/dbraw/zinc/62/24/25/432622425.db2.gz DHRLSLYVNDXHKU-BHIYHBOVSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000273656612 432622428 /nfs/dbraw/zinc/62/24/28/432622428.db2.gz DHRLSLYVNDXHKU-BHIYHBOVSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000177489539 432629453 /nfs/dbraw/zinc/62/94/53/432629453.db2.gz KSVADRCYXOEHCJ-HNNXBMFYSA-N 2 1 308.441 3.366 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000157863070 432630759 /nfs/dbraw/zinc/63/07/59/432630759.db2.gz LFDZCGIRNDOFME-LSDHHAIUSA-N 2 1 304.482 3.399 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000157874847 432631139 /nfs/dbraw/zinc/63/11/39/432631139.db2.gz IHTRJAXZPOVUKR-ICSRJNTNSA-N 2 1 318.505 3.488 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158085078 432636604 /nfs/dbraw/zinc/63/66/04/432636604.db2.gz MLNXSAKDOQCLIO-CGHHPOIWSA-N 2 1 302.462 3.225 20 0 DGADMP COc1ccnc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000274222706 432639212 /nfs/dbraw/zinc/63/92/12/432639212.db2.gz ZGQCYZQOSVZQFP-CQSZACIVSA-N 2 1 317.458 3.031 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381467 432618149 /nfs/dbraw/zinc/61/81/49/432618149.db2.gz QGVVFYGOZUXMOX-HNNXBMFYSA-N 2 1 323.912 3.359 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](NCc2ccccc2F)[C@@H](C)C1 ZINC000265165592 432669619 /nfs/dbraw/zinc/66/96/19/432669619.db2.gz HDLQJXDPVJVPEH-YJBOKZPZSA-N 2 1 308.441 3.052 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC000265165592 432669624 /nfs/dbraw/zinc/66/96/24/432669624.db2.gz HDLQJXDPVJVPEH-YJBOKZPZSA-N 2 1 308.441 3.052 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC000265165592 432669627 /nfs/dbraw/zinc/66/96/27/432669627.db2.gz HDLQJXDPVJVPEH-YJBOKZPZSA-N 2 1 308.441 3.052 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000158683202 432654647 /nfs/dbraw/zinc/65/46/47/432654647.db2.gz WVQWJHZJVHXVTG-BBWFWOEESA-N 2 1 306.498 3.483 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000158683202 432654653 /nfs/dbraw/zinc/65/46/53/432654653.db2.gz WVQWJHZJVHXVTG-BBWFWOEESA-N 2 1 306.498 3.483 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000158883104 432661264 /nfs/dbraw/zinc/66/12/64/432661264.db2.gz BANYEWZFZFBNNQ-QZTJIDSGSA-N 2 1 304.478 3.047 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000158905978 432663527 /nfs/dbraw/zinc/66/35/27/432663527.db2.gz DUYJZZKWKRDZNT-MSOLQXFVSA-N 2 1 314.477 3.162 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000177836549 432666143 /nfs/dbraw/zinc/66/61/43/432666143.db2.gz UEDKREWYMJBOOK-QRQCRPRQSA-N 2 1 322.518 3.195 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274637741 432692282 /nfs/dbraw/zinc/69/22/82/432692282.db2.gz JIIQGKNSOVTSSK-UHFFFAOYSA-N 2 1 315.417 3.017 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH+]ccc2N)cc1 ZINC000188059846 432701486 /nfs/dbraw/zinc/70/14/86/432701486.db2.gz XQYORMUFUIUJPO-CQSZACIVSA-N 2 1 324.428 3.291 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000178224626 432708336 /nfs/dbraw/zinc/70/83/36/432708336.db2.gz ZEFKHLHSHGHJOS-JKSUJKDBSA-N 2 1 314.477 3.290 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178224626 432708339 /nfs/dbraw/zinc/70/83/39/432708339.db2.gz ZEFKHLHSHGHJOS-JKSUJKDBSA-N 2 1 314.477 3.290 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000178260396 432713363 /nfs/dbraw/zinc/71/33/63/432713363.db2.gz FLCYXUFTMNTPGP-DNVCBOLYSA-N 2 1 323.440 3.309 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274864583 432718559 /nfs/dbraw/zinc/71/85/59/432718559.db2.gz DOHXCBQQLHDXOM-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274864586 432719231 /nfs/dbraw/zinc/71/92/31/432719231.db2.gz DOHXCBQQLHDXOM-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937817 432720724 /nfs/dbraw/zinc/72/07/24/432720724.db2.gz SKONAIZZTNIGAP-YYWHXJBOSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937817 432720728 /nfs/dbraw/zinc/72/07/28/432720728.db2.gz SKONAIZZTNIGAP-YYWHXJBOSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937801 432721363 /nfs/dbraw/zinc/72/13/63/432721363.db2.gz SKONAIZZTNIGAP-DZFGPLHGSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937801 432721366 /nfs/dbraw/zinc/72/13/66/432721366.db2.gz SKONAIZZTNIGAP-DZFGPLHGSA-N 2 1 324.468 3.220 20 0 DGADMP CCOCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159240777 432677139 /nfs/dbraw/zinc/67/71/39/432677139.db2.gz HYSREAQTOQIQKK-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159240777 432677142 /nfs/dbraw/zinc/67/71/42/432677142.db2.gz HYSREAQTOQIQKK-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159240777 432677145 /nfs/dbraw/zinc/67/71/45/432677145.db2.gz HYSREAQTOQIQKK-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159240777 432677146 /nfs/dbraw/zinc/67/71/46/432677146.db2.gz HYSREAQTOQIQKK-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038698 432688479 /nfs/dbraw/zinc/68/84/79/432688479.db2.gz RWURPOQUJDCTDZ-WSTZPKSXSA-N 2 1 318.505 3.487 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236692457 432758816 /nfs/dbraw/zinc/75/88/16/432758816.db2.gz UENDEPPHGQTFDB-LJQANCHMSA-N 2 1 306.494 3.141 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000178784993 432776181 /nfs/dbraw/zinc/77/61/81/432776181.db2.gz SNAAPEPFOVZYDQ-CQSZACIVSA-N 2 1 317.433 3.340 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(C)CCCO1 ZINC000237132416 432778515 /nfs/dbraw/zinc/77/85/15/432778515.db2.gz MGAJGPRDUIYBOD-IBGZPJMESA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178371211 432728234 /nfs/dbraw/zinc/72/82/34/432728234.db2.gz VQUBQCWXXNMSRX-WCJKSRRJSA-N 2 1 322.518 3.339 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178371211 432728239 /nfs/dbraw/zinc/72/82/39/432728239.db2.gz VQUBQCWXXNMSRX-WCJKSRRJSA-N 2 1 322.518 3.339 20 0 DGADMP CCCN(CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C ZINC000178441650 432737106 /nfs/dbraw/zinc/73/71/06/432737106.db2.gz PCUXXZFOXBXKEI-KRWDZBQOSA-N 2 1 317.477 3.130 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OCC ZINC000276643237 432823846 /nfs/dbraw/zinc/82/38/46/432823846.db2.gz LDFJDTDOJGKLCK-CQSZACIVSA-N 2 1 317.433 3.111 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623732 432829416 /nfs/dbraw/zinc/82/94/16/432829416.db2.gz VWFRVWQKSWVTTB-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP CN1CCC[C@@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623732 432829421 /nfs/dbraw/zinc/82/94/21/432829421.db2.gz VWFRVWQKSWVTTB-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178977118 432792918 /nfs/dbraw/zinc/79/29/18/432792918.db2.gz GFSQQNNHYKZJGM-VQTJNVASSA-N 2 1 316.489 3.354 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@H](C)C1 ZINC000162959125 432838567 /nfs/dbraw/zinc/83/85/67/432838567.db2.gz UELNXLQFJIIKJM-APWZRJJASA-N 2 1 322.468 3.095 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000238121965 432813584 /nfs/dbraw/zinc/81/35/84/432813584.db2.gz XJJPBBFWTHGBEZ-OAQYLSRUSA-N 2 1 324.468 3.017 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000162195970 432815309 /nfs/dbraw/zinc/81/53/09/432815309.db2.gz JERCIELCDGMSML-HXUWFJFHSA-N 2 1 318.505 3.080 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000277611220 432863845 /nfs/dbraw/zinc/86/38/45/432863845.db2.gz WLRCDBPWOVXBEG-SFHVURJKSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000277611220 432863848 /nfs/dbraw/zinc/86/38/48/432863848.db2.gz WLRCDBPWOVXBEG-SFHVURJKSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245851053 432865028 /nfs/dbraw/zinc/86/50/28/432865028.db2.gz GJSFYQJEFHMPAV-IGKNDFSCSA-N 2 1 308.510 3.148 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)CCCO1 ZINC000277978910 432880180 /nfs/dbraw/zinc/88/01/80/432880180.db2.gz TWFLTVIOYQEBRQ-ZDUSSCGKSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)CCCO1 ZINC000277978910 432880181 /nfs/dbraw/zinc/88/01/81/432880181.db2.gz TWFLTVIOYQEBRQ-ZDUSSCGKSA-N 2 1 314.832 3.070 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)CCOc1ccccc1C ZINC000163319585 432849611 /nfs/dbraw/zinc/84/96/11/432849611.db2.gz NXRPBQAUZIKFBS-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOc1ccccc1C ZINC000163319585 432849613 /nfs/dbraw/zinc/84/96/13/432849613.db2.gz NXRPBQAUZIKFBS-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOc1ccccc1C ZINC000163319585 432849614 /nfs/dbraw/zinc/84/96/14/432849614.db2.gz NXRPBQAUZIKFBS-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245683564 432855389 /nfs/dbraw/zinc/85/53/89/432855389.db2.gz UQYHDVUROYUXNO-KZNAEPCWSA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245683564 432855391 /nfs/dbraw/zinc/85/53/91/432855391.db2.gz UQYHDVUROYUXNO-KZNAEPCWSA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245683564 432855394 /nfs/dbraw/zinc/85/53/94/432855394.db2.gz UQYHDVUROYUXNO-KZNAEPCWSA-N 2 1 320.477 3.432 20 0 DGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000278963696 432922196 /nfs/dbraw/zinc/92/21/96/432922196.db2.gz MRGVEJOEEZXXBX-AAEUAGOBSA-N 2 1 304.463 3.124 20 0 DGADMP CSC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000278976865 432922758 /nfs/dbraw/zinc/92/27/58/432922758.db2.gz CPGWGYFNOUKFIL-NVXWUHKLSA-N 2 1 304.503 3.382 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCO2 ZINC000279049077 432930251 /nfs/dbraw/zinc/93/02/51/432930251.db2.gz XXZMDJDXZWQQOM-PBHICJAKSA-N 2 1 311.429 3.121 20 0 DGADMP Cc1ccncc1CCC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000289228449 432935318 /nfs/dbraw/zinc/93/53/18/432935318.db2.gz YJHKDGIJPQLUCA-KRWDZBQOSA-N 2 1 312.413 3.094 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000289307734 432942993 /nfs/dbraw/zinc/94/29/93/432942993.db2.gz STJBFDZLDHWUKO-BLLLJJGKSA-N 2 1 317.408 3.252 20 0 DGADMP Cc1ccncc1CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000289019209 432913646 /nfs/dbraw/zinc/91/36/46/432913646.db2.gz ANXDAACZNVYJJT-LJQANCHMSA-N 3 1 301.478 3.273 20 0 DGADMP C/C(=C\c1ccccc1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289541927 432966485 /nfs/dbraw/zinc/96/64/85/432966485.db2.gz WXDRLJYKKGRKGG-FBMGVBCBSA-N 2 1 315.505 3.048 20 0 DGADMP CC(C)COc1ccccc1C[N@@H+](C)CCCn1ccnc1 ZINC000341135632 432972477 /nfs/dbraw/zinc/97/24/77/432972477.db2.gz KYAXBLYKFJPKBZ-UHFFFAOYSA-N 2 1 301.434 3.440 20 0 DGADMP C[C@H]1C[C@H](NCc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239785 432979309 /nfs/dbraw/zinc/97/93/09/432979309.db2.gz ILOVMAPUMBMYGW-UONOGXRCSA-N 3 1 318.852 3.098 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CCN1C ZINC000297239785 432979313 /nfs/dbraw/zinc/97/93/13/432979313.db2.gz ILOVMAPUMBMYGW-UONOGXRCSA-N 2 1 318.852 3.098 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000332219891 432986664 /nfs/dbraw/zinc/98/66/64/432986664.db2.gz LZOGJZGNNCRGCC-UTJXIGIESA-N 2 1 317.477 3.189 20 0 DGADMP CCC[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000289382587 432952449 /nfs/dbraw/zinc/95/24/49/432952449.db2.gz CRMZGWJOWRRZTH-FQEVSTJZSA-N 2 1 317.521 3.140 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1F ZINC000297723122 433010827 /nfs/dbraw/zinc/01/08/27/433010827.db2.gz RYCAFPJSWJHBCQ-MRXNPFEDSA-N 2 1 306.425 3.200 20 0 DGADMP C[C@H](CCN[C@H]1C[C@H](C)n2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000297883315 433026806 /nfs/dbraw/zinc/02/68/06/433026806.db2.gz VCWQLPOCYMUSQR-RYRKJORJSA-N 2 1 312.461 3.389 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290300223 433028899 /nfs/dbraw/zinc/02/88/99/433028899.db2.gz BGIVYBPMYWQQKF-QGZVFWFLSA-N 2 1 302.462 3.249 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2CCSCc2ccccc2)C1 ZINC000290324838 433031965 /nfs/dbraw/zinc/03/19/65/433031965.db2.gz DIMUIONSTJWOMQ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324838 433031969 /nfs/dbraw/zinc/03/19/69/433031969.db2.gz DIMUIONSTJWOMQ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324838 433031972 /nfs/dbraw/zinc/03/19/72/433031972.db2.gz DIMUIONSTJWOMQ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000290324838 433031974 /nfs/dbraw/zinc/03/19/74/433031974.db2.gz DIMUIONSTJWOMQ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCSCc2ccccc2)C1 ZINC000290324838 433031977 /nfs/dbraw/zinc/03/19/77/433031977.db2.gz DIMUIONSTJWOMQ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1ccc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)ccc2n1 ZINC000290430359 433051248 /nfs/dbraw/zinc/05/12/48/433051248.db2.gz LGFIALFPKVEUHW-ICSRJNTNSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)ccc2n1 ZINC000290430359 433051252 /nfs/dbraw/zinc/05/12/52/433051252.db2.gz LGFIALFPKVEUHW-ICSRJNTNSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)ccc2n1 ZINC000290430359 433051254 /nfs/dbraw/zinc/05/12/54/433051254.db2.gz LGFIALFPKVEUHW-ICSRJNTNSA-N 2 1 309.457 3.459 20 0 DGADMP CC(C)(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000341449940 433062351 /nfs/dbraw/zinc/06/23/51/433062351.db2.gz FKJBCZHIDUXWGR-ROUUACIJSA-N 2 1 322.468 3.349 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)CC3 ZINC000156318109 292727886 /nfs/dbraw/zinc/72/78/86/292727886.db2.gz YLCCCJHJTKKMGU-FOIQADDNSA-N 2 1 311.473 3.263 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OCC ZINC000290512675 433075776 /nfs/dbraw/zinc/07/57/76/433075776.db2.gz PPLYRSLVSXOTMR-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000290512675 433075787 /nfs/dbraw/zinc/07/57/87/433075787.db2.gz PPLYRSLVSXOTMR-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000290512675 433075795 /nfs/dbraw/zinc/07/57/95/433075795.db2.gz PPLYRSLVSXOTMR-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000290512675 433075806 /nfs/dbraw/zinc/07/58/06/433075806.db2.gz PPLYRSLVSXOTMR-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP COc1ccc(F)cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000341473331 433078685 /nfs/dbraw/zinc/07/86/85/433078685.db2.gz QDPUKHYSLYONOP-ZDUSSCGKSA-N 2 1 305.397 3.470 20 0 DGADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000453319324 433085018 /nfs/dbraw/zinc/08/50/18/433085018.db2.gz KLVLNIBRQYCXES-QRTARXTBSA-N 2 1 310.869 3.142 20 0 DGADMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)[NH+]1C ZINC000354445757 433087144 /nfs/dbraw/zinc/08/71/44/433087144.db2.gz LUDXFUCRAPHOBX-ROUUACIJSA-N 2 1 317.521 3.169 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000453336683 433098705 /nfs/dbraw/zinc/09/87/05/433098705.db2.gz AMGACNDSTBZZFV-OLIUUXKNSA-N 2 1 302.462 3.260 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000354517159 433123521 /nfs/dbraw/zinc/12/35/21/433123521.db2.gz WXBGMPXTPBKWTD-AIANPOQGSA-N 2 1 320.477 3.268 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000354517159 433123525 /nfs/dbraw/zinc/12/35/25/433123525.db2.gz WXBGMPXTPBKWTD-AIANPOQGSA-N 2 1 320.477 3.268 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H](Cc1ccccn1)c1cccnc1)C1CC1 ZINC000453400362 433154522 /nfs/dbraw/zinc/15/45/22/433154522.db2.gz LUPMSPGFBVNOHK-HXUWFJFHSA-N 2 1 324.472 3.224 20 0 DGADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000453387562 433144313 /nfs/dbraw/zinc/14/43/13/433144313.db2.gz FLDCUMHKJBZTBJ-UYAYXHRUSA-N 2 1 308.441 3.084 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000298459347 433146580 /nfs/dbraw/zinc/14/65/80/433146580.db2.gz HZTPNWNCLQXHAF-SFHVURJKSA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000298459347 433146585 /nfs/dbraw/zinc/14/65/85/433146585.db2.gz HZTPNWNCLQXHAF-SFHVURJKSA-N 2 1 324.472 3.054 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000420296288 433146824 /nfs/dbraw/zinc/14/68/24/433146824.db2.gz BIJTVZNKMIIBFZ-WOJBJXKFSA-N 2 1 324.468 3.445 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@@H]2C)cc1 ZINC000420295757 433147474 /nfs/dbraw/zinc/14/74/74/433147474.db2.gz CPXCDNDXJNQCKX-HNAYVOBHSA-N 2 1 310.441 3.184 20 0 DGADMP CCN(CC)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298228 433147866 /nfs/dbraw/zinc/14/78/66/433147866.db2.gz HDCHEURSGHAXCU-KRWDZBQOSA-N 2 1 323.550 3.282 20 0 DGADMP CCN(CC)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298228 433147875 /nfs/dbraw/zinc/14/78/75/433147875.db2.gz HDCHEURSGHAXCU-KRWDZBQOSA-N 2 1 323.550 3.282 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000420296285 433148660 /nfs/dbraw/zinc/14/86/60/433148660.db2.gz BIJTVZNKMIIBFZ-UXHICEINSA-N 2 1 324.468 3.445 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(OC(F)(F)F)c1 ZINC000420299647 433151845 /nfs/dbraw/zinc/15/18/45/433151845.db2.gz JDFFUGJHTPKEDY-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304889 433151879 /nfs/dbraw/zinc/15/18/79/433151879.db2.gz OVUHHVPFLLWXNL-RVKKMQEKSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304889 433151887 /nfs/dbraw/zinc/15/18/87/433151887.db2.gz OVUHHVPFLLWXNL-RVKKMQEKSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000420299911 433152467 /nfs/dbraw/zinc/15/24/67/433152467.db2.gz JRNOUMDJIGHVBJ-OAHLLOKOSA-N 2 1 301.434 3.333 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(C)s2)cc1 ZINC000420300355 433153700 /nfs/dbraw/zinc/15/37/00/433153700.db2.gz KDARGHQSJZJIRW-HNNXBMFYSA-N 2 1 304.459 3.239 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000350182523 433107864 /nfs/dbraw/zinc/10/78/64/433107864.db2.gz ZMOFCAFWKSHSKG-CRAIPNDOSA-N 2 1 308.441 3.319 20 0 DGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Nc1ccccc1 ZINC000298359995 433108031 /nfs/dbraw/zinc/10/80/31/433108031.db2.gz KDGRRPASZDZNRI-IBGZPJMESA-N 2 1 301.478 3.340 20 0 DGADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453343914 433109727 /nfs/dbraw/zinc/10/97/27/433109727.db2.gz DMTINKCOOJKHDZ-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453343914 433109734 /nfs/dbraw/zinc/10/97/34/433109734.db2.gz DMTINKCOOJKHDZ-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000290603036 433113758 /nfs/dbraw/zinc/11/37/58/433113758.db2.gz WADFJSWLADCDCQ-UHFFFAOYSA-N 2 1 323.444 3.412 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000290603036 433113769 /nfs/dbraw/zinc/11/37/69/433113769.db2.gz WADFJSWLADCDCQ-UHFFFAOYSA-N 2 1 323.444 3.412 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc(Cl)c1O ZINC000298374567 433115631 /nfs/dbraw/zinc/11/56/31/433115631.db2.gz AAAWTFPZKIRLPT-UHFFFAOYSA-N 2 1 314.857 3.264 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc(Cl)c1O ZINC000298374567 433115638 /nfs/dbraw/zinc/11/56/38/433115638.db2.gz AAAWTFPZKIRLPT-UHFFFAOYSA-N 2 1 314.857 3.264 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000420304846 433156274 /nfs/dbraw/zinc/15/62/74/433156274.db2.gz OTVUKURULDUPHG-WMLDXEAASA-N 2 1 314.429 3.136 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000420318755 433157879 /nfs/dbraw/zinc/15/78/79/433157879.db2.gz OSZSUGJCOMOYLU-HNNXBMFYSA-N 2 1 316.470 3.464 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000354573650 433158101 /nfs/dbraw/zinc/15/81/01/433158101.db2.gz NCPCLBPXTVPWOA-IBGZPJMESA-N 2 1 303.494 3.280 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000420319463 433159786 /nfs/dbraw/zinc/15/97/86/433159786.db2.gz ADPHOBORJPMOHR-IAGOWNOFSA-N 2 1 311.429 3.163 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420310921 433160336 /nfs/dbraw/zinc/16/03/36/433160336.db2.gz QJHLJJDOKZVVBS-SQWLQELKSA-N 2 1 323.278 3.317 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453407141 433161553 /nfs/dbraw/zinc/16/15/53/433161553.db2.gz DISYNEMYTFBLQB-AWEZNQCLSA-N 2 1 321.440 3.007 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000420311046 433162655 /nfs/dbraw/zinc/16/26/55/433162655.db2.gz MWVJEBTUOLXTPQ-CQSZACIVSA-N 2 1 301.356 3.064 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000420311046 433162662 /nfs/dbraw/zinc/16/26/62/433162662.db2.gz MWVJEBTUOLXTPQ-CQSZACIVSA-N 2 1 301.356 3.064 20 0 DGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)n1C ZINC000425324264 433162830 /nfs/dbraw/zinc/16/28/30/433162830.db2.gz KFBJWDBYLVUFQN-INIZCTEOSA-N 2 1 318.852 3.477 20 0 DGADMP c1cc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)co1 ZINC000420324999 433167253 /nfs/dbraw/zinc/16/72/53/433167253.db2.gz HTOPCVLUWATARL-UONOGXRCSA-N 2 1 317.458 3.225 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420322340 433167947 /nfs/dbraw/zinc/16/79/47/433167947.db2.gz DTQYQMXHVFJOIS-ILXRZTDVSA-N 2 1 323.506 3.062 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)nc2C)C[C@@H]1C ZINC000447177297 433169005 /nfs/dbraw/zinc/16/90/05/433169005.db2.gz NCEXOHJCIIIENU-ZFWWWQNUSA-N 2 1 304.438 3.035 20 0 DGADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)n1C ZINC000425328481 433170068 /nfs/dbraw/zinc/17/00/68/433170068.db2.gz RMMXHYDHFZWQDM-QGZVFWFLSA-N 2 1 312.461 3.083 20 0 DGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339986 433170692 /nfs/dbraw/zinc/17/06/92/433170692.db2.gz RTDDQVJYYVGXTA-DZGCQCFKSA-N 2 1 305.466 3.497 20 0 DGADMP CCO[C@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000420339130 433171049 /nfs/dbraw/zinc/17/10/49/433171049.db2.gz QNMRVMKARDNZLJ-CZUORRHYSA-N 2 1 323.506 3.205 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656135 433173504 /nfs/dbraw/zinc/17/35/04/433173504.db2.gz KTSVZZPNCQEWDI-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336658958 433174191 /nfs/dbraw/zinc/17/41/91/433174191.db2.gz WVCBASQMCFJRRI-ZAWLATJESA-N 2 1 302.462 3.054 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000336708642 433177635 /nfs/dbraw/zinc/17/76/35/433177635.db2.gz JZKZAWGSGSSCHJ-UHFFFAOYSA-N 2 1 313.445 3.120 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000336708642 433177648 /nfs/dbraw/zinc/17/76/48/433177648.db2.gz JZKZAWGSGSSCHJ-UHFFFAOYSA-N 2 1 313.445 3.120 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1 ZINC000350481719 433182562 /nfs/dbraw/zinc/18/25/62/433182562.db2.gz RHPJNDZPSMDPSR-LSDHHAIUSA-N 2 1 323.444 3.196 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccccc1C(F)(F)F ZINC000420365412 433183056 /nfs/dbraw/zinc/18/30/56/433183056.db2.gz PZMWZAWKRBKRNF-ZDUSSCGKSA-N 2 1 304.356 3.047 20 0 DGADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420371106 433183810 /nfs/dbraw/zinc/18/38/10/433183810.db2.gz KHFZFGXJHCMKKM-AEFFLSMTSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000420409281 433201406 /nfs/dbraw/zinc/20/14/06/433201406.db2.gz QKHHRSQDXUCQLN-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000420409281 433201414 /nfs/dbraw/zinc/20/14/14/433201414.db2.gz QKHHRSQDXUCQLN-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374604920 433232703 /nfs/dbraw/zinc/23/27/03/433232703.db2.gz OGHCHLMAQSZVPF-SLFFLAALSA-N 2 1 309.457 3.405 20 0 DGADMP CCc1nc(NCc2cccc(C[NH+](CC)CC)c2)cc(C)[nH+]1 ZINC000341723952 433235888 /nfs/dbraw/zinc/23/58/88/433235888.db2.gz UKWFPVQDXKLLMV-UHFFFAOYSA-N 2 1 312.461 3.801 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337489240 433238567 /nfs/dbraw/zinc/23/85/67/433238567.db2.gz VCZKVFGOWQAOBD-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337489240 433238575 /nfs/dbraw/zinc/23/85/75/433238575.db2.gz VCZKVFGOWQAOBD-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412558946 433241285 /nfs/dbraw/zinc/24/12/85/433241285.db2.gz MESCCOSMZUDAQN-HZSPNIEDSA-N 2 1 321.440 3.087 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](OC)C2CC2)CC1)CC1CC1 ZINC000425451791 433249708 /nfs/dbraw/zinc/24/97/08/433249708.db2.gz CAXXIWKQANQOPJ-LJQANCHMSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458526 433249907 /nfs/dbraw/zinc/24/99/07/433249907.db2.gz MYGMHFZACKHMSD-OXQOHEQNSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458526 433249916 /nfs/dbraw/zinc/24/99/16/433249916.db2.gz MYGMHFZACKHMSD-OXQOHEQNSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000425458526 433249929 /nfs/dbraw/zinc/24/99/29/433249929.db2.gz MYGMHFZACKHMSD-OXQOHEQNSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000425458526 433249933 /nfs/dbraw/zinc/24/99/33/433249933.db2.gz MYGMHFZACKHMSD-OXQOHEQNSA-N 2 1 316.489 3.447 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000281138845 433264769 /nfs/dbraw/zinc/26/47/69/433264769.db2.gz DNTPTZBPITXGBB-UHFFFAOYSA-N 2 1 318.461 3.249 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000281138845 433264780 /nfs/dbraw/zinc/26/47/80/433264780.db2.gz DNTPTZBPITXGBB-UHFFFAOYSA-N 2 1 318.461 3.249 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000165283302 289697895 /nfs/dbraw/zinc/69/78/95/289697895.db2.gz KPHLNRWYYONRSG-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354859933 433324968 /nfs/dbraw/zinc/32/49/68/433324968.db2.gz DDJZAUWKQVEXTD-UHFFFAOYSA-N 2 1 307.482 3.270 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425542913 433294131 /nfs/dbraw/zinc/29/41/31/433294131.db2.gz AOHFGLILZBFZDX-SFHVURJKSA-N 2 1 317.477 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425542913 433294138 /nfs/dbraw/zinc/29/41/38/433294138.db2.gz AOHFGLILZBFZDX-SFHVURJKSA-N 2 1 317.477 3.253 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000281412905 433298044 /nfs/dbraw/zinc/29/80/44/433298044.db2.gz ZLOAAXGZCDKXBC-RCCFBDPRSA-N 2 1 313.489 3.490 20 0 DGADMP Cc1csc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895244 433300149 /nfs/dbraw/zinc/30/01/49/433300149.db2.gz MRQJJDNDJMMCSW-DOTOQJQBSA-N 2 1 315.486 3.452 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000420958508 433347125 /nfs/dbraw/zinc/34/71/25/433347125.db2.gz CZBHUNXEHMEOJU-BGYRXZFFSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000420958508 433347138 /nfs/dbraw/zinc/34/71/38/433347138.db2.gz CZBHUNXEHMEOJU-BGYRXZFFSA-N 2 1 314.473 3.141 20 0 DGADMP CC1=C(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420966763 433354638 /nfs/dbraw/zinc/35/46/38/433354638.db2.gz RNHPIHROFDGNFM-UHFFFAOYSA-N 2 1 300.446 3.061 20 0 DGADMP CC1=C(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420966763 433354647 /nfs/dbraw/zinc/35/46/47/433354647.db2.gz RNHPIHROFDGNFM-UHFFFAOYSA-N 2 1 300.446 3.061 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C2 ZINC000425914334 433372800 /nfs/dbraw/zinc/37/28/00/433372800.db2.gz IJXOWXRCESVZNJ-INIZCTEOSA-N 2 1 302.462 3.017 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000374988253 433329575 /nfs/dbraw/zinc/32/95/75/433329575.db2.gz NOUQPQUNGXYPPT-UHFFFAOYSA-N 2 1 311.429 3.001 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000374988253 433329586 /nfs/dbraw/zinc/32/95/86/433329586.db2.gz NOUQPQUNGXYPPT-UHFFFAOYSA-N 2 1 311.429 3.001 20 0 DGADMP COCCCCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354865334 433329864 /nfs/dbraw/zinc/32/98/64/433329864.db2.gz WSVXZIVMRGHDOA-UHFFFAOYSA-N 2 1 305.466 3.047 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361669786 433331794 /nfs/dbraw/zinc/33/17/94/433331794.db2.gz FAYPPNOXWUWZKS-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361669786 433331802 /nfs/dbraw/zinc/33/18/02/433331802.db2.gz FAYPPNOXWUWZKS-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361669786 433331809 /nfs/dbraw/zinc/33/18/09/433331809.db2.gz FAYPPNOXWUWZKS-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361671667 433334101 /nfs/dbraw/zinc/33/41/01/433334101.db2.gz VCRHGLOMGOWQLN-OGWOLHLISA-N 2 1 302.462 3.045 20 0 DGADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950511 433341601 /nfs/dbraw/zinc/34/16/01/433341601.db2.gz RIFIWRIKTOEGJX-VQIMIIECSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950511 433341604 /nfs/dbraw/zinc/34/16/04/433341604.db2.gz RIFIWRIKTOEGJX-VQIMIIECSA-N 2 1 302.462 3.282 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000354963945 433379820 /nfs/dbraw/zinc/37/98/20/433379820.db2.gz XHPMSQAGOSXUBS-GUYCJALGSA-N 2 1 310.869 3.490 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000421015842 433387650 /nfs/dbraw/zinc/38/76/50/433387650.db2.gz LFTSPYBMQVTJMQ-IKGGRYGDSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000421015842 433387658 /nfs/dbraw/zinc/38/76/58/433387658.db2.gz LFTSPYBMQVTJMQ-IKGGRYGDSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000421015842 433387666 /nfs/dbraw/zinc/38/76/66/433387666.db2.gz LFTSPYBMQVTJMQ-IKGGRYGDSA-N 2 1 324.509 3.161 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000300241816 433392418 /nfs/dbraw/zinc/39/24/18/433392418.db2.gz ULZHMLJFCSDMNH-TZMCWYRMSA-N 2 1 302.340 3.144 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1CC1(C)C ZINC000414115962 433404008 /nfs/dbraw/zinc/40/40/08/433404008.db2.gz PZRDFKWDKHVWRX-IRXDYDNUSA-N 2 1 316.493 3.477 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000361879912 433433939 /nfs/dbraw/zinc/43/39/39/433433939.db2.gz JKAQHWMIRUXFCW-GHTZIAJQSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000361879912 433433947 /nfs/dbraw/zinc/43/39/47/433433947.db2.gz JKAQHWMIRUXFCW-GHTZIAJQSA-N 2 1 324.468 3.283 20 0 DGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887834 433440223 /nfs/dbraw/zinc/44/02/23/433440223.db2.gz GDRXPRZPCKQQQA-RTWAWAEBSA-N 2 1 324.468 3.364 20 0 DGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887834 433440231 /nfs/dbraw/zinc/44/02/31/433440231.db2.gz GDRXPRZPCKQQQA-RTWAWAEBSA-N 2 1 324.468 3.364 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000414177109 433441973 /nfs/dbraw/zinc/44/19/73/433441973.db2.gz JPQYOWZCECHPMI-CABCVRRESA-N 2 1 307.457 3.274 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000414179099 433444113 /nfs/dbraw/zinc/44/41/13/433444113.db2.gz LEPWEFIRXYJGTB-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)c1OC ZINC000342067615 433446716 /nfs/dbraw/zinc/44/67/16/433446716.db2.gz WLDZBIKJRLHTFL-UHFFFAOYSA-N 2 1 320.477 3.365 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000414195050 433452482 /nfs/dbraw/zinc/45/24/82/433452482.db2.gz UPWXUXZBCMULLO-KGLIPLIRSA-N 2 1 307.507 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC000342085323 433457678 /nfs/dbraw/zinc/45/76/78/433457678.db2.gz MPIYLQIEJHCYKO-NUEKZKHPSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]21 ZINC000342085323 433457686 /nfs/dbraw/zinc/45/76/86/433457686.db2.gz MPIYLQIEJHCYKO-NUEKZKHPSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]21 ZINC000342095281 433466480 /nfs/dbraw/zinc/46/64/80/433466480.db2.gz FTLYWDJIIXDOGD-BHYGNILZSA-N 2 1 313.470 3.369 20 0 DGADMP COCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(C)cc2C)CC1 ZINC000426316171 433462671 /nfs/dbraw/zinc/46/26/71/433462671.db2.gz BUPNPKWAZZSOSP-UHFFFAOYSA-N 2 1 318.505 3.281 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000426341920 433468690 /nfs/dbraw/zinc/46/86/90/433468690.db2.gz GXMZGXFUELJLTN-GBESFXJTSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000361967515 433473757 /nfs/dbraw/zinc/47/37/57/433473757.db2.gz USSMRTNKLRLMOR-KNCCTNLNSA-N 2 1 304.503 3.335 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262530511 290238462 /nfs/dbraw/zinc/23/84/62/290238462.db2.gz PLYYBYQXHJTTLH-DOMZBBRYSA-N 2 1 314.351 3.332 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000342111848 433477716 /nfs/dbraw/zinc/47/77/16/433477716.db2.gz URQVSHTXJKAWKW-GVDBMIGSSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000342111848 433477722 /nfs/dbraw/zinc/47/77/22/433477722.db2.gz URQVSHTXJKAWKW-GVDBMIGSSA-N 2 1 311.429 3.209 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414238517 433478488 /nfs/dbraw/zinc/47/84/88/433478488.db2.gz HXDYPBSDKHNCHZ-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128649 433479343 /nfs/dbraw/zinc/47/93/43/433479343.db2.gz VOHHNQNKMZFFGB-HUUCEWRRSA-N 2 1 318.452 3.291 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128649 433479350 /nfs/dbraw/zinc/47/93/50/433479350.db2.gz VOHHNQNKMZFFGB-HUUCEWRRSA-N 2 1 318.452 3.291 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)O1 ZINC000414285487 433512181 /nfs/dbraw/zinc/51/21/81/433512181.db2.gz RSSYGINOYMAIOH-AZNNDXHDSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)O1 ZINC000414285487 433512190 /nfs/dbraw/zinc/51/21/90/433512190.db2.gz RSSYGINOYMAIOH-AZNNDXHDSA-N 2 1 316.489 3.443 20 0 DGADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(C)c1OC ZINC000342171236 433516192 /nfs/dbraw/zinc/51/61/92/433516192.db2.gz RAFTZTRZJKATHX-OAHLLOKOSA-N 2 1 320.477 3.366 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCSc3ccccc3Cl)C[C@@H]12 ZINC000351488836 433525372 /nfs/dbraw/zinc/52/53/72/433525372.db2.gz GGDJIQBKWGGAAJ-GZBFAFLISA-N 2 1 310.894 3.491 20 0 DGADMP C[C@H]1C[NH+](CCCNc2cc[nH+]c3ccsc32)C[C@H](C)O1 ZINC000301368422 433527693 /nfs/dbraw/zinc/52/76/93/433527693.db2.gz RJOVUVRNKAFWPI-STQMWFEESA-N 2 1 305.447 3.208 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000375704455 433536402 /nfs/dbraw/zinc/53/64/02/433536402.db2.gz CCHSRKWJPQIECV-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ncn1 ZINC000301286852 433489876 /nfs/dbraw/zinc/48/98/76/433489876.db2.gz ZPEGORZUGZCTKQ-UHFFFAOYSA-N 2 1 318.371 3.140 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342135860 433490857 /nfs/dbraw/zinc/49/08/57/433490857.db2.gz QKCYMTHTVARKKO-NWANDNLSSA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342135860 433490863 /nfs/dbraw/zinc/49/08/63/433490863.db2.gz QKCYMTHTVARKKO-NWANDNLSSA-N 2 1 317.458 3.271 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000375584836 433499332 /nfs/dbraw/zinc/49/93/32/433499332.db2.gz RYEJLHVPUHKCDM-HUUCEWRRSA-N 2 1 309.457 3.242 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000375584836 433499343 /nfs/dbraw/zinc/49/93/43/433499343.db2.gz RYEJLHVPUHKCDM-HUUCEWRRSA-N 2 1 309.457 3.242 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000414280145 433508897 /nfs/dbraw/zinc/50/88/97/433508897.db2.gz KPGZHWMDDCWCKA-AZNNDXHDSA-N 2 1 316.489 3.300 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)nn1 ZINC000414280119 433509655 /nfs/dbraw/zinc/50/96/55/433509655.db2.gz CCMRYTVERLZJOU-UHFFFAOYSA-N 2 1 324.472 3.307 20 0 DGADMP C[N@H+](C[C@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526449 433551441 /nfs/dbraw/zinc/55/14/41/433551441.db2.gz WXEPUJMKGRXYLM-RTWAWAEBSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526449 433551449 /nfs/dbraw/zinc/55/14/49/433551449.db2.gz WXEPUJMKGRXYLM-RTWAWAEBSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526449 433551460 /nfs/dbraw/zinc/55/14/60/433551460.db2.gz WXEPUJMKGRXYLM-RTWAWAEBSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526449 433551471 /nfs/dbraw/zinc/55/14/71/433551471.db2.gz WXEPUJMKGRXYLM-RTWAWAEBSA-N 2 1 324.468 3.015 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H](C)C1 ZINC000414338250 433551950 /nfs/dbraw/zinc/55/19/50/433551950.db2.gz KBEBNDRAIZTXOD-TWKWOARYSA-N 2 1 302.462 3.119 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000339416242 433565970 /nfs/dbraw/zinc/56/59/70/433565970.db2.gz ZHQNDYDJWHHAQI-SLFFLAALSA-N 2 1 316.489 3.085 20 0 DGADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(Br)cc3)C2)C1 ZINC000339433016 433579737 /nfs/dbraw/zinc/57/97/37/433579737.db2.gz HKHMLLURTSEZJX-INIZCTEOSA-N 2 1 323.278 3.367 20 0 DGADMP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)nn1 ZINC000414328946 433546172 /nfs/dbraw/zinc/54/61/72/433546172.db2.gz OIUDLPXGDYIKKP-UHFFFAOYSA-N 2 1 324.472 3.307 20 0 DGADMP CC1(C)CC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC(C)(C)[NH2+]1 ZINC000339517962 433632268 /nfs/dbraw/zinc/63/22/68/433632268.db2.gz USQGHVGYANEVPN-AWEZNQCLSA-N 2 1 323.506 3.393 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000282839964 433632283 /nfs/dbraw/zinc/63/22/83/433632283.db2.gz SQLLEZSIFNJEAI-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)CC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC(C)(C)[NH2+]1 ZINC000339517963 433634451 /nfs/dbraw/zinc/63/44/51/433634451.db2.gz USQGHVGYANEVPN-CQSZACIVSA-N 2 1 323.506 3.393 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342356000 433635399 /nfs/dbraw/zinc/63/53/99/433635399.db2.gz KAZFYMVZODCFSS-WFASDCNBSA-N 2 1 305.397 3.129 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999889 433643217 /nfs/dbraw/zinc/64/32/17/433643217.db2.gz NTITXENNBBBJEE-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999889 433643225 /nfs/dbraw/zinc/64/32/25/433643225.db2.gz NTITXENNBBBJEE-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP CSC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000356521401 433601736 /nfs/dbraw/zinc/60/17/36/433601736.db2.gz HFRCEZRQIXYZEX-ZWKOTPCHSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000356521401 433601745 /nfs/dbraw/zinc/60/17/45/433601745.db2.gz HFRCEZRQIXYZEX-ZWKOTPCHSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000356521401 433601758 /nfs/dbraw/zinc/60/17/58/433601758.db2.gz HFRCEZRQIXYZEX-ZWKOTPCHSA-N 2 1 316.514 3.336 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351596971 433602411 /nfs/dbraw/zinc/60/24/11/433602411.db2.gz HMKHQAWUXQMNFS-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351596971 433602418 /nfs/dbraw/zinc/60/24/18/433602418.db2.gz HMKHQAWUXQMNFS-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351596971 433602428 /nfs/dbraw/zinc/60/24/28/433602428.db2.gz HMKHQAWUXQMNFS-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351596971 433602438 /nfs/dbraw/zinc/60/24/38/433602438.db2.gz HMKHQAWUXQMNFS-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CC=CCC1 ZINC000362252361 433603427 /nfs/dbraw/zinc/60/34/27/433603427.db2.gz PGTHSXUPBHJJOR-GOSISDBHSA-N 2 1 305.466 3.276 20 0 DGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CC=CCC1 ZINC000362252361 433603434 /nfs/dbraw/zinc/60/34/34/433603434.db2.gz PGTHSXUPBHJJOR-GOSISDBHSA-N 2 1 305.466 3.276 20 0 DGADMP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482432 433612978 /nfs/dbraw/zinc/61/29/78/433612978.db2.gz LUWJLZXKCIMHLW-DLBZAZTESA-N 2 1 310.869 3.444 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482432 433612988 /nfs/dbraw/zinc/61/29/88/433612988.db2.gz LUWJLZXKCIMHLW-DLBZAZTESA-N 2 1 310.869 3.444 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)o1 ZINC000427107838 433653572 /nfs/dbraw/zinc/65/35/72/433653572.db2.gz APUNRFZHFRJDGD-SUMWQHHRSA-N 2 1 300.377 3.270 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)o1 ZINC000427107838 433653581 /nfs/dbraw/zinc/65/35/81/433653581.db2.gz APUNRFZHFRJDGD-SUMWQHHRSA-N 2 1 300.377 3.270 20 0 DGADMP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n(C2CCCC2)n1 ZINC000449007991 433655707 /nfs/dbraw/zinc/65/57/07/433655707.db2.gz BVUMSFFXFWHSKG-UHFFFAOYSA-N 2 1 316.493 3.306 20 0 DGADMP Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000301686456 433679729 /nfs/dbraw/zinc/67/97/29/433679729.db2.gz UTAWPPYJFZKLQY-UONOGXRCSA-N 2 1 317.408 3.203 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966291 293009067 /nfs/dbraw/zinc/00/90/67/293009067.db2.gz MTHIQJCBVLGMJX-XYJFISCASA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966291 293009068 /nfs/dbraw/zinc/00/90/68/293009068.db2.gz MTHIQJCBVLGMJX-XYJFISCASA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966288 293009226 /nfs/dbraw/zinc/00/92/26/293009226.db2.gz MTHIQJCBVLGMJX-BQFCYCMXSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966288 293009227 /nfs/dbraw/zinc/00/92/27/293009227.db2.gz MTHIQJCBVLGMJX-BQFCYCMXSA-N 2 1 310.445 3.150 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000367041747 293015627 /nfs/dbraw/zinc/01/56/27/293015627.db2.gz ADIKJYODPZNZMX-HZPDHXFCSA-N 2 1 310.507 3.363 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000367041747 293015629 /nfs/dbraw/zinc/01/56/29/293015629.db2.gz ADIKJYODPZNZMX-HZPDHXFCSA-N 2 1 310.507 3.363 20 0 DGADMP CCOC1CC(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000367545276 293086638 /nfs/dbraw/zinc/08/66/38/293086638.db2.gz UOMDGAPHSORGNC-YXWAVELNSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)c1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(C(C)C)n1 ZINC000368299780 293113500 /nfs/dbraw/zinc/11/35/00/293113500.db2.gz RZIBSHCKTNMHIU-GOSISDBHSA-N 2 1 302.466 3.255 20 0 DGADMP C(CC1CCOCC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000368495723 293127503 /nfs/dbraw/zinc/12/75/03/293127503.db2.gz WVJHZGJYBYZNMW-IEBWSBKVSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000368495723 293127507 /nfs/dbraw/zinc/12/75/07/293127507.db2.gz WVJHZGJYBYZNMW-IEBWSBKVSA-N 2 1 306.494 3.142 20 0 DGADMP C(CC1CCOCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000368495723 293127509 /nfs/dbraw/zinc/12/75/09/293127509.db2.gz WVJHZGJYBYZNMW-IEBWSBKVSA-N 2 1 306.494 3.142 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000370662818 293182487 /nfs/dbraw/zinc/18/24/87/293182487.db2.gz OQKOCYSGMHHCIN-MBOZVWFJSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000370662818 293182488 /nfs/dbraw/zinc/18/24/88/293182488.db2.gz OQKOCYSGMHHCIN-MBOZVWFJSA-N 2 1 316.489 3.302 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000370675956 293185066 /nfs/dbraw/zinc/18/50/66/293185066.db2.gz GYSMGKLIYANDPY-ZMSDIMECSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCCO2 ZINC000370675956 293185067 /nfs/dbraw/zinc/18/50/67/293185067.db2.gz GYSMGKLIYANDPY-ZMSDIMECSA-N 2 1 304.409 3.256 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000371329771 293210766 /nfs/dbraw/zinc/21/07/66/293210766.db2.gz NLUACBJSAYMMOW-SFHVURJKSA-N 2 1 305.441 3.186 20 0 DGADMP Cc1cccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000362434100 433710180 /nfs/dbraw/zinc/71/01/80/433710180.db2.gz JLLNZYVQWKQFNO-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP COC[C@]1(C[NH2+][C@@H](c2cccs2)C2CCCC2)CCC[NH2+]1 ZINC000423414217 293294221 /nfs/dbraw/zinc/29/42/21/293294221.db2.gz MGZCINRLYRCVDK-IAGOWNOFSA-N 2 1 308.491 3.338 20 0 DGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373905234 293330315 /nfs/dbraw/zinc/33/03/15/293330315.db2.gz PIXTTWDTBMAZLT-GOSISDBHSA-N 2 1 322.493 3.059 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000374279570 293376935 /nfs/dbraw/zinc/37/69/35/293376935.db2.gz KWQPJEXYFLKWDL-HNJRGHQBSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1 ZINC000374423804 293398514 /nfs/dbraw/zinc/39/85/14/293398514.db2.gz XVSWNWLASKCOHP-ZACQAIPSSA-N 2 1 308.853 3.024 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1 ZINC000374423804 293398516 /nfs/dbraw/zinc/39/85/16/293398516.db2.gz XVSWNWLASKCOHP-ZACQAIPSSA-N 2 1 308.853 3.024 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCC1 ZINC000449060379 433716331 /nfs/dbraw/zinc/71/63/31/433716331.db2.gz FHGKTADUZXDDCU-IBGZPJMESA-N 2 1 302.462 3.187 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000356857950 433737555 /nfs/dbraw/zinc/73/75/55/433737555.db2.gz CCGHDKKOTPBMSX-SWLSCSKDSA-N 2 1 316.367 3.058 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000449383122 433737954 /nfs/dbraw/zinc/73/79/54/433737954.db2.gz FFUOQOUPTGNCNO-QLFBSQMISA-N 2 1 322.415 3.196 20 0 DGADMP CC(C)C[C@@H](N)c1noc([C@@H](C)N(C)Cc2ccccc2)n1 ZINC000414610295 433742978 /nfs/dbraw/zinc/74/29/78/433742978.db2.gz ARQDGFVLWDMAFB-UKRRQHHQSA-N 2 1 302.422 3.309 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000293461238 433748586 /nfs/dbraw/zinc/74/85/86/433748586.db2.gz WSAKDEIGEBQHAU-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)C1 ZINC000421823230 433750245 /nfs/dbraw/zinc/75/02/45/433750245.db2.gz YXQGSBZVCNRNKJ-RDTXWAMCSA-N 2 1 308.441 3.463 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000356901469 433756366 /nfs/dbraw/zinc/75/63/66/433756366.db2.gz PPPGQTJZRICGJI-BBWFWOEESA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000356901469 433756376 /nfs/dbraw/zinc/75/63/76/433756376.db2.gz PPPGQTJZRICGJI-BBWFWOEESA-N 2 1 322.518 3.365 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000376515218 433760574 /nfs/dbraw/zinc/76/05/74/433760574.db2.gz OOXLMKGJNLKNMP-QGZVFWFLSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414771240 433823262 /nfs/dbraw/zinc/82/32/62/433823262.db2.gz QPNPGQCMGNORHI-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP CC[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432347101 433823407 /nfs/dbraw/zinc/82/34/07/433823407.db2.gz NSLQYAFNMJTICR-QZTJIDSGSA-N 2 1 304.478 3.271 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095207 433774235 /nfs/dbraw/zinc/77/42/35/433774235.db2.gz ILKOFLZBNUZLMI-WMZOPIPTSA-N 2 1 322.880 3.010 20 0 DGADMP c1csc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000414774977 433824255 /nfs/dbraw/zinc/82/42/55/433824255.db2.gz YZGXIPHWRUVOHI-BETUJISGSA-N 2 1 319.499 3.303 20 0 DGADMP CC(C)[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775247 433824373 /nfs/dbraw/zinc/82/43/73/433824373.db2.gz GIHMMNDHQRQMOO-RBUKOAKNSA-N 2 1 316.489 3.114 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000421869305 433785634 /nfs/dbraw/zinc/78/56/34/433785634.db2.gz DGNKSDDBNOXZOZ-NBDWZHNGSA-N 3 1 315.505 3.284 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000421869305 433785639 /nfs/dbraw/zinc/78/56/39/433785639.db2.gz DGNKSDDBNOXZOZ-NBDWZHNGSA-N 3 1 315.505 3.284 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000421869304 433786295 /nfs/dbraw/zinc/78/62/95/433786295.db2.gz DGNKSDDBNOXZOZ-CQJJOKNBSA-N 3 1 315.505 3.284 20 0 DGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000421869304 433786302 /nfs/dbraw/zinc/78/63/02/433786302.db2.gz DGNKSDDBNOXZOZ-CQJJOKNBSA-N 3 1 315.505 3.284 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414678629 433788205 /nfs/dbraw/zinc/78/82/05/433788205.db2.gz KXMIUHDQOMGYTH-WDEREUQCSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449778698 433788644 /nfs/dbraw/zinc/78/86/44/433788644.db2.gz BXJYCGFASIQEFF-CQSZACIVSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449778698 433788649 /nfs/dbraw/zinc/78/86/49/433788649.db2.gz BXJYCGFASIQEFF-CQSZACIVSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414710396 433805693 /nfs/dbraw/zinc/80/56/93/433805693.db2.gz QVIMTDQDNXCUHL-CKEIUWERSA-N 2 1 308.853 3.181 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302034126 433813785 /nfs/dbraw/zinc/81/37/85/433813785.db2.gz JHVIPJDIOFHCNC-RDJZCZTQSA-N 2 1 302.466 3.184 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302034126 433813790 /nfs/dbraw/zinc/81/37/90/433813790.db2.gz JHVIPJDIOFHCNC-RDJZCZTQSA-N 2 1 302.466 3.184 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]2C ZINC000414756531 433816583 /nfs/dbraw/zinc/81/65/83/433816583.db2.gz JYKICIIOVMJTCS-QKPAOTATSA-N 2 1 302.462 3.391 20 0 DGADMP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000431833004 433816741 /nfs/dbraw/zinc/81/67/41/433816741.db2.gz IJNAOINFCIXZRN-GDBMZVCRSA-N 2 1 321.428 3.423 20 0 DGADMP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000431833004 433816751 /nfs/dbraw/zinc/81/67/51/433816751.db2.gz IJNAOINFCIXZRN-GDBMZVCRSA-N 2 1 321.428 3.423 20 0 DGADMP COCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293655530 433818744 /nfs/dbraw/zinc/81/87/44/433818744.db2.gz LPQPHCSGULAYHB-SJLPKXTDSA-N 2 1 304.478 3.159 20 0 DGADMP c1cc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cs1 ZINC000414766623 433820898 /nfs/dbraw/zinc/82/08/98/433820898.db2.gz IAGQNIFDRXHAII-BETUJISGSA-N 2 1 319.499 3.303 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000414836445 433873916 /nfs/dbraw/zinc/87/39/16/433873916.db2.gz SLNPJNWKUCPLHJ-UIFIKXQLSA-N 2 1 323.484 3.329 20 0 DGADMP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459473526 293576451 /nfs/dbraw/zinc/57/64/51/293576451.db2.gz WYHBUKOGJDNWPF-SCLBCKFNSA-N 2 1 306.425 3.118 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414773981 433826184 /nfs/dbraw/zinc/82/61/84/433826184.db2.gz FAWCRSOZHOYKIO-AWEZNQCLSA-N 2 1 322.518 3.233 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414776769 433829375 /nfs/dbraw/zinc/82/93/75/433829375.db2.gz HRLRXBHWLGATBY-KFWWJZLASA-N 2 1 319.518 3.089 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778868 433830461 /nfs/dbraw/zinc/83/04/61/433830461.db2.gz JMHMKSDIJWCLIV-JLLHVBAKSA-N 2 1 300.446 3.030 20 0 DGADMP C[C@@H](CC1CCCCC1)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414782751 433830495 /nfs/dbraw/zinc/83/04/95/433830495.db2.gz OUCNMPHQSROEAO-FUHWJXTLSA-N 2 1 308.510 3.280 20 0 DGADMP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776386 433830744 /nfs/dbraw/zinc/83/07/44/433830744.db2.gz HFRKQANQNOVSRI-LSDHHAIUSA-N 2 1 305.491 3.232 20 0 DGADMP Fc1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414782456 433831163 /nfs/dbraw/zinc/83/11/63/433831163.db2.gz OOWQBDGOFSXOJO-ZIAGYGMSSA-N 2 1 302.393 3.393 20 0 DGADMP C[C@H](CC1CCCCC1)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414782748 433831277 /nfs/dbraw/zinc/83/12/77/433831277.db2.gz OUCNMPHQSROEAO-AEFFLSMTSA-N 2 1 308.510 3.280 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789656 433833207 /nfs/dbraw/zinc/83/32/07/433833207.db2.gz YJXUHJCBAIVOFQ-KGLIPLIRSA-N 2 1 310.388 3.110 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789661 433833523 /nfs/dbraw/zinc/83/35/23/433833523.db2.gz YJXUHJCBAIVOFQ-ZIAGYGMSSA-N 2 1 310.388 3.110 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414788105 433834966 /nfs/dbraw/zinc/83/49/66/433834966.db2.gz WGBXWJMBBVSYAH-LSDHHAIUSA-N 2 1 310.388 3.110 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414788811 433835349 /nfs/dbraw/zinc/83/53/49/433835349.db2.gz MYJXXFNDGFAQOC-CQSZACIVSA-N 2 1 307.457 3.150 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414786824 433836855 /nfs/dbraw/zinc/83/68/55/433836855.db2.gz UYHNIYVXTZLAGY-HUUCEWRRSA-N 2 1 314.429 3.263 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000357038889 433840090 /nfs/dbraw/zinc/84/00/90/433840090.db2.gz AEPBFERKDZDDGX-QZTJIDSGSA-N 2 1 323.440 3.224 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000357038889 433840095 /nfs/dbraw/zinc/84/00/95/433840095.db2.gz AEPBFERKDZDDGX-QZTJIDSGSA-N 2 1 323.440 3.224 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1O ZINC000414841121 433877729 /nfs/dbraw/zinc/87/77/29/433877729.db2.gz MZSNKFKTXYSDJV-WMLDXEAASA-N 2 1 320.477 3.219 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000414800249 433843702 /nfs/dbraw/zinc/84/37/02/433843702.db2.gz ZCOYJLKHLOMKKE-QGZVFWFLSA-N 2 1 316.424 3.023 20 0 DGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357048450 433846189 /nfs/dbraw/zinc/84/61/89/433846189.db2.gz KJMJTGIGDRLCIC-CQSZACIVSA-N 2 1 307.507 3.262 20 0 DGADMP COC[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284173507 433851733 /nfs/dbraw/zinc/85/17/33/433851733.db2.gz QNDRMDMOCVNFAV-IPJUCJBFSA-N 2 1 304.478 3.302 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nccc(C)n2)CC1)CC1CC1 ZINC000357070785 433851972 /nfs/dbraw/zinc/85/19/72/433851972.db2.gz BNRKVZSDFCRSEI-UHFFFAOYSA-N 2 1 316.493 3.119 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nccc(C)n2)CC1)CC1CC1 ZINC000357070785 433851981 /nfs/dbraw/zinc/85/19/81/433851981.db2.gz BNRKVZSDFCRSEI-UHFFFAOYSA-N 2 1 316.493 3.119 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000284191386 433854077 /nfs/dbraw/zinc/85/40/77/433854077.db2.gz RQVGOADVMRLFDT-HNAYVOBHSA-N 2 1 302.462 3.480 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1)CC1CC1 ZINC000357082780 433855621 /nfs/dbraw/zinc/85/56/21/433855621.db2.gz JKLOIOSHWYBUTE-CQSZACIVSA-N 2 1 320.481 3.273 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1)CC1CC1 ZINC000357082780 433855634 /nfs/dbraw/zinc/85/56/34/433855634.db2.gz JKLOIOSHWYBUTE-CQSZACIVSA-N 2 1 320.481 3.273 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414815014 433857979 /nfs/dbraw/zinc/85/79/79/433857979.db2.gz OWOIVFTYGOOXLB-CYBMUJFWSA-N 2 1 304.356 3.235 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414819322 433860652 /nfs/dbraw/zinc/86/06/52/433860652.db2.gz YKXOZWCICZSQOM-DOMZBBRYSA-N 2 1 313.283 3.487 20 0 DGADMP C[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000357115546 433868526 /nfs/dbraw/zinc/86/85/26/433868526.db2.gz KSXXJNBQPALFGU-TVFCKZIOSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414831528 433869525 /nfs/dbraw/zinc/86/95/25/433869525.db2.gz CJCSVSYNDPOOML-SWLSCSKDSA-N 2 1 311.857 3.020 20 0 DGADMP Clc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000345246207 433904300 /nfs/dbraw/zinc/90/43/00/433904300.db2.gz ABCBHFCFBBSHNY-XYJFISCASA-N 2 1 319.880 3.135 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CCC[NH2+]C1 ZINC000414912108 433914023 /nfs/dbraw/zinc/91/40/23/433914023.db2.gz UXVOFCUPMPAYEX-QGZVFWFLSA-N 2 1 301.459 3.289 20 0 DGADMP CCOCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC ZINC000422559183 433919321 /nfs/dbraw/zinc/91/93/21/433919321.db2.gz CPEQZHZVGPHHAX-RKVPGOIHSA-N 2 1 320.477 3.037 20 0 DGADMP C[C@@H](C[NH3+])[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000414947134 433930142 /nfs/dbraw/zinc/93/01/42/433930142.db2.gz UNYWPJWNUVDVSV-ZDUSSCGKSA-N 2 1 304.384 3.055 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856152 433886745 /nfs/dbraw/zinc/88/67/45/433886745.db2.gz YIQGBUAXHGMJCM-PBHICJAKSA-N 2 1 318.461 3.234 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414861930 433890688 /nfs/dbraw/zinc/89/06/88/433890688.db2.gz WYTRQIBDXZMQIE-QWHCGFSZSA-N 2 1 311.267 3.235 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414860462 433892124 /nfs/dbraw/zinc/89/21/24/433892124.db2.gz VNTXLRZEFNJLFH-NTDBWNAOSA-N 3 1 307.526 3.007 20 0 DGADMP Fc1ccc(C(C[NH2+][C@@H]2CC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000414863481 433892475 /nfs/dbraw/zinc/89/24/75/433892475.db2.gz AQVQSASPUFQSRS-QGZVFWFLSA-N 2 1 302.368 3.048 20 0 DGADMP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704838 433941938 /nfs/dbraw/zinc/94/19/38/433941938.db2.gz QJMVMNWZFULHCY-WFASDCNBSA-N 2 1 312.379 3.467 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422717669 433947632 /nfs/dbraw/zinc/94/76/32/433947632.db2.gz WADFQSWBYCDYCL-IPMKNSEASA-N 3 1 309.542 3.399 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1OC ZINC000422725628 433949737 /nfs/dbraw/zinc/94/97/37/433949737.db2.gz YGIALBROWQQRRA-BRWVUGGUSA-N 2 1 318.461 3.104 20 0 DGADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422720076 433950751 /nfs/dbraw/zinc/95/07/51/433950751.db2.gz SBGWULJYOYWLOH-QUCCMNQESA-N 2 1 309.457 3.336 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422725607 433951488 /nfs/dbraw/zinc/95/14/88/433951488.db2.gz BZJSTZYONBBPBZ-CGTJXYLNSA-N 2 1 303.494 3.223 20 0 DGADMP COc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1OC ZINC000422725732 433951680 /nfs/dbraw/zinc/95/16/80/433951680.db2.gz YPBQKPBREHTOEE-GOEBONIOSA-N 2 1 306.450 3.104 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414980909 433952689 /nfs/dbraw/zinc/95/26/89/433952689.db2.gz XHKRGSWKOFCRFU-CYBMUJFWSA-N 2 1 315.230 3.066 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2nccs2)C[C@@H]1c1ccccc1 ZINC000340215674 433992527 /nfs/dbraw/zinc/99/25/27/433992527.db2.gz WTYBSTZLJJJTGK-HZPDHXFCSA-N 2 1 301.459 3.111 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2nccs2)C[C@@H]1c1ccccc1 ZINC000340215674 433992532 /nfs/dbraw/zinc/99/25/32/433992532.db2.gz WTYBSTZLJJJTGK-HZPDHXFCSA-N 2 1 301.459 3.111 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340173351 433956521 /nfs/dbraw/zinc/95/65/21/433956521.db2.gz GISRZIBWINQSLY-MOPGFXCFSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340173351 433956530 /nfs/dbraw/zinc/95/65/30/433956530.db2.gz GISRZIBWINQSLY-MOPGFXCFSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340173351 433956538 /nfs/dbraw/zinc/95/65/38/433956538.db2.gz GISRZIBWINQSLY-MOPGFXCFSA-N 2 1 303.494 3.142 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@H]4CCCCO4)C3)C2)cc1 ZINC000285471604 433960664 /nfs/dbraw/zinc/96/06/64/433960664.db2.gz HMYXJQDGMPJYLS-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCCCO4)C3)C2)cc1 ZINC000285471604 433960674 /nfs/dbraw/zinc/96/06/74/433960674.db2.gz HMYXJQDGMPJYLS-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCCCO4)C3)C2)cc1 ZINC000285471604 433960683 /nfs/dbraw/zinc/96/06/83/433960683.db2.gz HMYXJQDGMPJYLS-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1c1ccccc1 ZINC000340183785 433965425 /nfs/dbraw/zinc/96/54/25/433965425.db2.gz DMOJFYPCRZITPD-MTQWCTHYSA-N 2 1 313.489 3.038 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000340186324 433968621 /nfs/dbraw/zinc/96/86/21/433968621.db2.gz ILLHYHPYESWLRH-INIZCTEOSA-N 2 1 304.478 3.363 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340186929 433969603 /nfs/dbraw/zinc/96/96/03/433969603.db2.gz YQBNEDGNTWLQPT-UXHICEINSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415013956 433969672 /nfs/dbraw/zinc/96/96/72/433969672.db2.gz ZAMJUKXLBLESST-GSEOLPGOSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415013956 433969681 /nfs/dbraw/zinc/96/96/81/433969681.db2.gz ZAMJUKXLBLESST-GSEOLPGOSA-N 3 1 315.505 3.147 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285498277 433972849 /nfs/dbraw/zinc/97/28/49/433972849.db2.gz JCMJFGSUKDZLNO-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)OCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285498277 433972857 /nfs/dbraw/zinc/97/28/57/433972857.db2.gz JCMJFGSUKDZLNO-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)OCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285498277 433972865 /nfs/dbraw/zinc/97/28/65/433972865.db2.gz JCMJFGSUKDZLNO-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422752713 433979552 /nfs/dbraw/zinc/97/95/52/433979552.db2.gz FFGQWBCWLMAPQE-HUUCEWRRSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422752713 433979561 /nfs/dbraw/zinc/97/95/61/433979561.db2.gz FFGQWBCWLMAPQE-HUUCEWRRSA-N 2 1 318.509 3.010 20 0 DGADMP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1c[nH+]ccc1N ZINC000422762118 433983226 /nfs/dbraw/zinc/98/32/26/433983226.db2.gz NNTICDHBPCCPEH-SJKOYZFVSA-N 2 1 318.852 3.101 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294084202 433990774 /nfs/dbraw/zinc/99/07/74/433990774.db2.gz RFIQCSDOJYWROL-RAUXBKROSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422778529 433991253 /nfs/dbraw/zinc/99/12/53/433991253.db2.gz HQMDDHMHTOEREP-DOMZBBRYSA-N 2 1 323.278 3.068 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000352151262 433940827 /nfs/dbraw/zinc/94/08/27/433940827.db2.gz PIVQDPZALSWTEG-ZFOVBUMHSA-N 2 1 302.462 3.168 20 0 DGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699827 433941085 /nfs/dbraw/zinc/94/10/85/433941085.db2.gz BGFXDGBFNGKLTC-SWLSCSKDSA-N 2 1 300.368 3.226 20 0 DGADMP C[C@@H]([NH2+]CC1(c2ccccc2Br)CC1)[C@@H]1CCC[NH2+]1 ZINC000422788668 434004083 /nfs/dbraw/zinc/00/40/83/434004083.db2.gz SORPRKSTKLLNHJ-DOMZBBRYSA-N 2 1 323.278 3.211 20 0 DGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422790946 434006844 /nfs/dbraw/zinc/00/68/44/434006844.db2.gz CJVLGVNSRIKGLZ-DLBZAZTESA-N 2 1 303.450 3.031 20 0 DGADMP CC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352256386 434009708 /nfs/dbraw/zinc/00/97/08/434009708.db2.gz IHNZJMMJRQLDFB-CQSZACIVSA-N 2 1 303.475 3.488 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)c2C1 ZINC000345936252 434010699 /nfs/dbraw/zinc/01/06/99/434010699.db2.gz OPCXUEATEQAMTR-HUUCEWRRSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)c2C1 ZINC000345936252 434010712 /nfs/dbraw/zinc/01/07/12/434010712.db2.gz OPCXUEATEQAMTR-HUUCEWRRSA-N 2 1 315.461 3.224 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3ccnc32)C[C@H]1c1ccccc1 ZINC000340253069 434015853 /nfs/dbraw/zinc/01/58/53/434015853.db2.gz MICLEAIXOWBLLR-QYZOEREBSA-N 2 1 324.472 3.186 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3ccnc32)C[C@H]1c1ccccc1 ZINC000340253069 434015863 /nfs/dbraw/zinc/01/58/63/434015863.db2.gz MICLEAIXOWBLLR-QYZOEREBSA-N 2 1 324.472 3.186 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422806694 434019097 /nfs/dbraw/zinc/01/90/97/434019097.db2.gz LANVNADORMWOHP-OWYHZJEWSA-N 2 1 302.462 3.050 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809422 434021395 /nfs/dbraw/zinc/02/13/95/434021395.db2.gz PRIFTWOUGLZEEK-VQIMIIECSA-N 2 1 303.494 3.149 20 0 DGADMP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000294162233 434021767 /nfs/dbraw/zinc/02/17/67/434021767.db2.gz ILJFKIIMJNIIKS-APWZRJJASA-N 2 1 304.478 3.302 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340262025 434022018 /nfs/dbraw/zinc/02/20/18/434022018.db2.gz UQAOECIICWUCEQ-RBUKOAKNSA-N 2 1 324.472 3.309 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340262025 434022026 /nfs/dbraw/zinc/02/20/26/434022026.db2.gz UQAOECIICWUCEQ-RBUKOAKNSA-N 2 1 324.472 3.309 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340272041 434027811 /nfs/dbraw/zinc/02/78/11/434027811.db2.gz HDSSTCYMKCEAHB-VQTJNVASSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000285698680 434046872 /nfs/dbraw/zinc/04/68/72/434046872.db2.gz OTBVOZWCLJNQRV-LGRHPFTQSA-N 2 1 324.415 3.337 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000285698680 434046885 /nfs/dbraw/zinc/04/68/85/434046885.db2.gz OTBVOZWCLJNQRV-LGRHPFTQSA-N 2 1 324.415 3.337 20 0 DGADMP C1C[NH2+][C@@H]([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000422823836 434029516 /nfs/dbraw/zinc/02/95/16/434029516.db2.gz MJGBBUREBPRDCL-XUVXKRRUSA-N 3 1 319.537 3.294 20 0 DGADMP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000422823834 434031284 /nfs/dbraw/zinc/03/12/84/434031284.db2.gz MJGBBUREBPRDCL-SLFFLAALSA-N 3 1 319.537 3.294 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](O)C(C)C)cc1 ZINC000305101632 434036044 /nfs/dbraw/zinc/03/60/44/434036044.db2.gz AEMWZCYDNRNFRP-KBXCAEBGSA-N 2 1 301.434 3.238 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422829774 434036122 /nfs/dbraw/zinc/03/61/22/434036122.db2.gz BYTHRUMCBWVPLB-RTBURBONSA-N 2 1 308.425 3.258 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422833428 434037549 /nfs/dbraw/zinc/03/75/49/434037549.db2.gz GVRGHXJOYDGXPF-CVEARBPZSA-N 3 1 309.523 3.067 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422833428 434037562 /nfs/dbraw/zinc/03/75/62/434037562.db2.gz GVRGHXJOYDGXPF-CVEARBPZSA-N 3 1 309.523 3.067 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422839010 434039396 /nfs/dbraw/zinc/03/93/96/434039396.db2.gz PLHRYUAMSVDELP-UMGGQSCQSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422836759 434041948 /nfs/dbraw/zinc/04/19/48/434041948.db2.gz RYWRHSDXXFAPSF-CYBMUJFWSA-N 2 1 303.381 3.143 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837796 434042765 /nfs/dbraw/zinc/04/27/65/434042765.db2.gz MVBSMSLTSFIIPS-RSPOEFSDSA-N 2 1 315.505 3.289 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000422840415 434045138 /nfs/dbraw/zinc/04/51/38/434045138.db2.gz SUUHENGGKOZDSK-ZCNNSNEGSA-N 3 1 319.537 3.294 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340299602 434045262 /nfs/dbraw/zinc/04/52/62/434045262.db2.gz HGBSUTZLZUHOIS-RYQLBKOJSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340299602 434045273 /nfs/dbraw/zinc/04/52/73/434045273.db2.gz HGBSUTZLZUHOIS-RYQLBKOJSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)s1 ZINC000305130349 434046106 /nfs/dbraw/zinc/04/61/06/434046106.db2.gz MRLPUSURXVGFLW-GDBMZVCRSA-N 2 1 310.507 3.252 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340228336 433997506 /nfs/dbraw/zinc/99/75/06/433997506.db2.gz AZVZFLKGLJIGTF-PWRODBHTSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340228336 433997513 /nfs/dbraw/zinc/99/75/13/433997513.db2.gz AZVZFLKGLJIGTF-PWRODBHTSA-N 2 1 324.468 3.015 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOc2ccc(F)cc2)c2ccccc21 ZINC000422788583 433998693 /nfs/dbraw/zinc/99/86/93/433998693.db2.gz VOHKTVPJNTTYBL-QZTJIDSGSA-N 2 1 300.377 3.329 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840444 434046276 /nfs/dbraw/zinc/04/62/76/434046276.db2.gz SYGXCIPQWXEEDU-JFIYKMOQSA-N 2 1 321.534 3.080 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(O)CC3)cc2)C1 ZINC000285570535 434000019 /nfs/dbraw/zinc/00/00/19/434000019.db2.gz HXQUYZSKPIQUML-DZIBYMRMSA-N 2 1 316.489 3.312 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000422861872 434063405 /nfs/dbraw/zinc/06/34/05/434063405.db2.gz NBCCWPHRCKJRCM-HYVNUMGLSA-N 2 1 309.523 3.238 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422866189 434064929 /nfs/dbraw/zinc/06/49/29/434064929.db2.gz QALRBEZCWMEWCY-CABCVRRESA-N 3 1 300.450 3.349 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867927 434065836 /nfs/dbraw/zinc/06/58/36/434065836.db2.gz UEARNZUMRKQZPA-CXAGYDPISA-N 2 1 318.490 3.289 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422875385 434070035 /nfs/dbraw/zinc/07/00/35/434070035.db2.gz FCJDSCIKQWLSBC-CVEARBPZSA-N 3 1 318.509 3.011 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422879981 434077755 /nfs/dbraw/zinc/07/77/55/434077755.db2.gz LFQUTZNSGZMJLE-HCXYKTFWSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000340351102 434080576 /nfs/dbraw/zinc/08/05/76/434080576.db2.gz NFPUXHBTBHBFPR-AITUJVMLSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000340351102 434080585 /nfs/dbraw/zinc/08/05/85/434080585.db2.gz NFPUXHBTBHBFPR-AITUJVMLSA-N 2 1 302.462 3.227 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[C@@H]1c1ccccc1 ZINC000340359466 434083429 /nfs/dbraw/zinc/08/34/29/434083429.db2.gz VAZMTNMYCONAEN-OKZBNKHCSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[C@@H]1c1ccccc1 ZINC000340359466 434083438 /nfs/dbraw/zinc/08/34/38/434083438.db2.gz VAZMTNMYCONAEN-OKZBNKHCSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[C@H]1c1ccccc1 ZINC000340359464 434084564 /nfs/dbraw/zinc/08/45/64/434084564.db2.gz VAZMTNMYCONAEN-BZSNNMDCSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[C@H]1c1ccccc1 ZINC000340359464 434084572 /nfs/dbraw/zinc/08/45/72/434084572.db2.gz VAZMTNMYCONAEN-BZSNNMDCSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346057678 434087285 /nfs/dbraw/zinc/08/72/85/434087285.db2.gz VMLBSKMAQGOVGW-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422895712 434093704 /nfs/dbraw/zinc/09/37/04/434093704.db2.gz GJIFGGYNQBKSDY-RYUDHWBXSA-N 2 1 303.269 3.260 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309765621 434094484 /nfs/dbraw/zinc/09/44/84/434094484.db2.gz ZKESYGMVWALJEO-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422899382 434094972 /nfs/dbraw/zinc/09/49/72/434094972.db2.gz HIJIRNVVUZQIDI-ZYHUDNBSSA-N 2 1 309.866 3.427 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422899380 434095121 /nfs/dbraw/zinc/09/51/21/434095121.db2.gz HIJIRNVVUZQIDI-JQWIXIFHSA-N 2 1 309.866 3.427 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309756403 434097408 /nfs/dbraw/zinc/09/74/08/434097408.db2.gz XCPUALUHGPOZKP-GBESFXJTSA-N 2 1 302.462 3.056 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340380278 434097477 /nfs/dbraw/zinc/09/74/77/434097477.db2.gz KBOWPBMMAFKNCA-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340380278 434097485 /nfs/dbraw/zinc/09/74/85/434097485.db2.gz KBOWPBMMAFKNCA-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840443 434047641 /nfs/dbraw/zinc/04/76/41/434047641.db2.gz SYGXCIPQWXEEDU-BQFCYCMXSA-N 2 1 321.534 3.080 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422842437 434047927 /nfs/dbraw/zinc/04/79/27/434047927.db2.gz FWIOCYLJJCBGOL-JQHSSLGASA-N 2 1 321.896 3.194 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000305151057 434050509 /nfs/dbraw/zinc/05/05/09/434050509.db2.gz ORHRWVUUGDHMRM-QOKNQOGYSA-N 2 1 313.445 3.382 20 0 DGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422850050 434052229 /nfs/dbraw/zinc/05/22/29/434052229.db2.gz CRLYDCMTDPALHA-QZTJIDSGSA-N 2 1 320.477 3.160 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3cscn3)C2)CC1 ZINC000450324022 434099932 /nfs/dbraw/zinc/09/99/32/434099932.db2.gz MABSCVRFEFVOIF-INIZCTEOSA-N 2 1 307.507 3.130 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3cscn3)C2)CC1 ZINC000450324022 434099940 /nfs/dbraw/zinc/09/99/40/434099940.db2.gz MABSCVRFEFVOIF-INIZCTEOSA-N 2 1 307.507 3.130 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858102 434055959 /nfs/dbraw/zinc/05/59/59/434055959.db2.gz IJPIRQJFLREKFZ-QFBILLFUSA-N 2 1 303.494 3.147 20 0 DGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCC2CC2)c1 ZINC000422863457 434060469 /nfs/dbraw/zinc/06/04/69/434060469.db2.gz LMJFMJJWOXMSGP-JWTNVVGKSA-N 2 1 300.446 3.156 20 0 DGADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964810 434102251 /nfs/dbraw/zinc/10/22/51/434102251.db2.gz KGYJXEGWUOZYDU-ZCNNSNEGSA-N 2 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309964810 434102256 /nfs/dbraw/zinc/10/22/56/434102256.db2.gz KGYJXEGWUOZYDU-ZCNNSNEGSA-N 3 1 315.505 3.148 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309964810 434102263 /nfs/dbraw/zinc/10/22/63/434102263.db2.gz KGYJXEGWUOZYDU-ZCNNSNEGSA-N 3 1 315.505 3.148 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1c[nH+]ccc1N ZINC000422912247 434102889 /nfs/dbraw/zinc/10/28/89/434102889.db2.gz VPYNQXVTYLWWFK-RDJZCZTQSA-N 2 1 316.493 3.189 20 0 DGADMP CC(C)COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309945889 434103634 /nfs/dbraw/zinc/10/36/34/434103634.db2.gz DHDXDQCBVZUKOK-WOJBJXKFSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309945889 434103643 /nfs/dbraw/zinc/10/36/43/434103643.db2.gz DHDXDQCBVZUKOK-WOJBJXKFSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309945889 434103653 /nfs/dbraw/zinc/10/36/53/434103653.db2.gz DHDXDQCBVZUKOK-WOJBJXKFSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1cccnc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310159012 434107173 /nfs/dbraw/zinc/10/71/73/434107173.db2.gz PIVKHJMIOUBECP-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310159012 434107184 /nfs/dbraw/zinc/10/71/84/434107184.db2.gz PIVKHJMIOUBECP-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310159012 434107190 /nfs/dbraw/zinc/10/71/90/434107190.db2.gz PIVKHJMIOUBECP-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310159012 434107197 /nfs/dbraw/zinc/10/71/97/434107197.db2.gz PIVKHJMIOUBECP-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP CCOC1CC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000310019031 434107235 /nfs/dbraw/zinc/10/72/35/434107235.db2.gz QEHHIKPCUXQVCF-XEVCZEQESA-N 2 1 316.489 3.446 20 0 DGADMP FC(F)(F)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309979839 434108281 /nfs/dbraw/zinc/10/82/81/434108281.db2.gz UGWCSQBQGPFQLS-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309979839 434108289 /nfs/dbraw/zinc/10/82/89/434108289.db2.gz UGWCSQBQGPFQLS-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309979839 434108297 /nfs/dbraw/zinc/10/82/97/434108297.db2.gz UGWCSQBQGPFQLS-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309979839 434108301 /nfs/dbraw/zinc/10/83/01/434108301.db2.gz UGWCSQBQGPFQLS-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459511579 293980084 /nfs/dbraw/zinc/98/00/84/293980084.db2.gz MJMMHHBVLVSZLU-INIZCTEOSA-N 2 1 307.800 3.496 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1c[nH+]ccc1N ZINC000422918416 434109154 /nfs/dbraw/zinc/10/91/54/434109154.db2.gz HZHCQLXONDVIEC-NWDGAFQWSA-N 2 1 305.809 3.266 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459547534 293981713 /nfs/dbraw/zinc/98/17/13/293981713.db2.gz SOYBSICGBRDPKV-SFHVURJKSA-N 2 1 313.445 3.075 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422928048 434114659 /nfs/dbraw/zinc/11/46/59/434114659.db2.gz IQDLCSNOIQAZOL-SLEUVZQESA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422910137 434101132 /nfs/dbraw/zinc/10/11/32/434101132.db2.gz HHFKPEWGTVWDFZ-ZFWWWQNUSA-N 2 1 307.507 3.321 20 0 DGADMP CC(C)CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422940368 434123646 /nfs/dbraw/zinc/12/36/46/434123646.db2.gz SQZUOTARNKURFS-JWTNVVGKSA-N 2 1 302.462 3.484 20 0 DGADMP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000500130698 294106107 /nfs/dbraw/zinc/10/61/07/294106107.db2.gz AFNDYMJBGIEQPT-IRXDYDNUSA-N 2 1 316.489 3.433 20 0 DGADMP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000502287024 294161729 /nfs/dbraw/zinc/16/17/29/294161729.db2.gz RDSHWAXNECJWKW-HNAYVOBHSA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000502287024 294161731 /nfs/dbraw/zinc/16/17/31/294161731.db2.gz RDSHWAXNECJWKW-HNAYVOBHSA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000502287024 294161735 /nfs/dbraw/zinc/16/17/35/294161735.db2.gz RDSHWAXNECJWKW-HNAYVOBHSA-N 2 1 304.478 3.420 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422945237 434129000 /nfs/dbraw/zinc/12/90/00/434129000.db2.gz NDZIAKCWNFZRCV-BXEVVDMOSA-N 2 1 315.461 3.044 20 0 DGADMP CCC[C@H](C)[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000507005628 294278687 /nfs/dbraw/zinc/27/86/87/294278687.db2.gz CDABDMXPJRWTTE-KRWDZBQOSA-N 2 1 303.494 3.449 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507479978 294300727 /nfs/dbraw/zinc/30/07/27/294300727.db2.gz AAQYSDRLOYCGHA-WTGUMLROSA-N 2 1 316.489 3.038 20 0 DGADMP c1ccc(N2CCN(CCC[N@H+]3CC[C@H]4CCC[C@H]43)CC2)cc1 ZINC000509181819 294342336 /nfs/dbraw/zinc/34/23/36/294342336.db2.gz SIKIMRGTPGMQRI-UYAOXDASSA-N 2 1 313.489 3.073 20 0 DGADMP CCOC(=O)C(C)(C)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000510127776 294375045 /nfs/dbraw/zinc/37/50/45/294375045.db2.gz OWIJILXQMBMEKF-KRWDZBQOSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950971 434135146 /nfs/dbraw/zinc/13/51/46/434135146.db2.gz ZGWKEUKFSZZKGY-DYVFJYSZSA-N 2 1 320.383 3.336 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422961835 434143769 /nfs/dbraw/zinc/14/37/69/434143769.db2.gz BDYXULCFWDAMIE-RTWAWAEBSA-N 2 1 323.484 3.385 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422961835 434143779 /nfs/dbraw/zinc/14/37/79/434143779.db2.gz BDYXULCFWDAMIE-RTWAWAEBSA-N 2 1 323.484 3.385 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CC=CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422972465 434150386 /nfs/dbraw/zinc/15/03/86/434150386.db2.gz LSUTXWRJYONZGV-IPELMVKDSA-N 2 1 300.446 3.434 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340497074 434163369 /nfs/dbraw/zinc/16/33/69/434163369.db2.gz GOCQSLVQTWRYBJ-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353483727 434164333 /nfs/dbraw/zinc/16/43/33/434164333.db2.gz PFRAOWPQAKKNAS-KLHKWILBSA-N 2 1 312.498 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353483727 434164337 /nfs/dbraw/zinc/16/43/37/434164337.db2.gz PFRAOWPQAKKNAS-KLHKWILBSA-N 2 1 312.498 3.208 20 0 DGADMP c1c[nH]c([C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)n1 ZINC000363862063 434166030 /nfs/dbraw/zinc/16/60/30/434166030.db2.gz GKWKFTWLVPGHIL-FUHWJXTLSA-N 2 1 310.445 3.106 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099986 434220207 /nfs/dbraw/zinc/22/02/07/434220207.db2.gz GBKZOZUOYDGXSV-ZACQAIPSSA-N 2 1 308.853 3.277 20 0 DGADMP CC[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCCC[NH2+]1 ZINC000423023137 434172067 /nfs/dbraw/zinc/17/20/67/434172067.db2.gz JDIKBODZGGLRDY-CABCVRRESA-N 2 1 309.523 3.493 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000423023165 434174388 /nfs/dbraw/zinc/17/43/88/434174388.db2.gz JGEOVYKXIBADEX-KSZLIROESA-N 2 1 308.510 3.340 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450433897 434174758 /nfs/dbraw/zinc/17/47/58/434174758.db2.gz FQRPDRFVAHIHRR-RBUKOAKNSA-N 2 1 307.526 3.057 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC[NH2+]2)cc1 ZINC000423045359 434187410 /nfs/dbraw/zinc/18/74/10/434187410.db2.gz CTSJMRLVHFQWOU-AKHDSKFASA-N 2 1 300.446 3.027 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC[NH2+]2)cc1 ZINC000423045361 434188433 /nfs/dbraw/zinc/18/84/33/434188433.db2.gz CTSJMRLVHFQWOU-YDZRNGNQSA-N 2 1 300.446 3.027 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000316612178 434189555 /nfs/dbraw/zinc/18/95/55/434189555.db2.gz ZRFLGMIRUWYMIH-FCGDIQPGSA-N 3 1 307.526 3.009 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000353518029 434191956 /nfs/dbraw/zinc/19/19/56/434191956.db2.gz KGPSLZBRVGEQIH-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP CCSc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccn1 ZINC000423060024 434198804 /nfs/dbraw/zinc/19/88/04/434198804.db2.gz HDZGXWSRRGPTMP-PBHICJAKSA-N 2 1 315.486 3.242 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000423083863 434207198 /nfs/dbraw/zinc/20/71/98/434207198.db2.gz ZHIYXFXYNLRJHT-RCCFBDPRSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000437086628 434211212 /nfs/dbraw/zinc/21/12/12/434211212.db2.gz LCNKXBDEYBEKPY-JFIYKMOQSA-N 2 1 303.494 3.350 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423090061 434213562 /nfs/dbraw/zinc/21/35/62/434213562.db2.gz WQQKLNKKGCZNOK-HZPDHXFCSA-N 2 1 310.445 3.061 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000437100752 434213957 /nfs/dbraw/zinc/21/39/57/434213957.db2.gz XCAFGKQIEVABPN-UHFFFAOYSA-N 2 1 303.494 3.494 20 0 DGADMP CO[C@@H](C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286277652 434216346 /nfs/dbraw/zinc/21/63/46/434216346.db2.gz VQBJQONNOJOIJY-IVMQYODDSA-N 2 1 304.478 3.444 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099985 434217471 /nfs/dbraw/zinc/21/74/71/434217471.db2.gz GBKZOZUOYDGXSV-IXDOHACOSA-N 2 1 308.853 3.277 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353551940 434219723 /nfs/dbraw/zinc/21/97/23/434219723.db2.gz MFZHWVPBICDUGI-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP C[N@H+]1CCCC12CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC000450419820 434166475 /nfs/dbraw/zinc/16/64/75/434166475.db2.gz PGEMZEWUXXPCDO-UHFFFAOYSA-N 2 1 321.428 3.176 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353575981 434244447 /nfs/dbraw/zinc/24/44/47/434244447.db2.gz MBQIQEUOJMIXFH-QQFBHYJXSA-N 2 1 322.497 3.368 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353575981 434244454 /nfs/dbraw/zinc/24/44/54/434244454.db2.gz MBQIQEUOJMIXFH-QQFBHYJXSA-N 2 1 322.497 3.368 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H]1C ZINC000321029110 434245763 /nfs/dbraw/zinc/24/57/63/434245763.db2.gz CNVRYFFMIBILGG-RNQOJCNYSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H]1C ZINC000321029110 434245775 /nfs/dbraw/zinc/24/57/75/434245775.db2.gz CNVRYFFMIBILGG-RNQOJCNYSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138725 434245837 /nfs/dbraw/zinc/24/58/37/434245837.db2.gz JXGXKKRPWZOSEK-LNLFQRSKSA-N 3 1 303.494 3.004 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353579884 434245886 /nfs/dbraw/zinc/24/58/86/434245886.db2.gz VWLTZQSDYWFXJC-DLBZAZTESA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353579884 434245895 /nfs/dbraw/zinc/24/58/95/434245895.db2.gz VWLTZQSDYWFXJC-DLBZAZTESA-N 2 1 321.509 3.006 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423138725 434245847 /nfs/dbraw/zinc/24/58/47/434245847.db2.gz JXGXKKRPWZOSEK-LNLFQRSKSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138725 434245857 /nfs/dbraw/zinc/24/58/57/434245857.db2.gz JXGXKKRPWZOSEK-LNLFQRSKSA-N 3 1 303.494 3.004 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423149473 434246190 /nfs/dbraw/zinc/24/61/90/434246190.db2.gz AWPOKLMXUUBVHZ-RHSMWYFYSA-N 2 1 305.491 3.129 20 0 DGADMP COC[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159881 434257212 /nfs/dbraw/zinc/25/72/12/434257212.db2.gz YPVJYCDBGBZXRW-UKPHBRMFSA-N 2 1 310.869 3.190 20 0 DGADMP COc1ncc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1Cl ZINC000423165492 434258715 /nfs/dbraw/zinc/25/87/15/434258715.db2.gz YDHNNJRFNCVVJJ-OCCSQVGLSA-N 2 1 311.857 3.144 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657656 434260430 /nfs/dbraw/zinc/26/04/30/434260430.db2.gz UFGZUPDIDYDVHV-LAUBAEHRSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657656 434260436 /nfs/dbraw/zinc/26/04/36/434260436.db2.gz UFGZUPDIDYDVHV-LAUBAEHRSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000423167866 434263129 /nfs/dbraw/zinc/26/31/29/434263129.db2.gz FWNGCBHVHGWDQB-HNAYVOBHSA-N 2 1 311.473 3.427 20 0 DGADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000323160350 434263470 /nfs/dbraw/zinc/26/34/70/434263470.db2.gz IHQMPJXJRKEHTK-OALUTQOASA-N 2 1 316.489 3.097 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380948777 434267781 /nfs/dbraw/zinc/26/77/81/434267781.db2.gz QFKSZLIRTLREHD-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423187895 434272050 /nfs/dbraw/zinc/27/20/50/434272050.db2.gz YKWQTAVDNJATFR-PKOBYXMFSA-N 2 1 315.505 3.148 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382068325 434275100 /nfs/dbraw/zinc/27/51/00/434275100.db2.gz ROLMUIPQKYTSBT-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423106056 434222998 /nfs/dbraw/zinc/22/29/98/434222998.db2.gz JHNWMOFVHCOZCN-SXXASDTRSA-N 2 1 302.462 3.068 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423132590 434236469 /nfs/dbraw/zinc/23/64/69/434236469.db2.gz JLHGFOIWHNDETL-SNPRPXQTSA-N 2 1 300.368 3.310 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000320343410 434237301 /nfs/dbraw/zinc/23/73/01/434237301.db2.gz OPSZSHYXUHAJTL-INIZCTEOSA-N 2 1 320.477 3.476 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000353573017 434237996 /nfs/dbraw/zinc/23/79/96/434237996.db2.gz JSUMLGZSZYGMQC-UAFMIMERSA-N 2 1 316.489 3.412 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000353573023 434239231 /nfs/dbraw/zinc/23/92/31/434239231.db2.gz GWSRAOGJGAPHPS-HBFSDRIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353573023 434239237 /nfs/dbraw/zinc/23/92/37/434239237.db2.gz GWSRAOGJGAPHPS-HBFSDRIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353573023 434239243 /nfs/dbraw/zinc/23/92/43/434239243.db2.gz GWSRAOGJGAPHPS-HBFSDRIKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573018 434239329 /nfs/dbraw/zinc/23/93/29/434239329.db2.gz UBWYYUPZBAWHHO-SJORKVTESA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573018 434239336 /nfs/dbraw/zinc/23/93/36/434239336.db2.gz UBWYYUPZBAWHHO-SJORKVTESA-N 2 1 321.509 3.006 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000353620412 434281812 /nfs/dbraw/zinc/28/18/12/434281812.db2.gz KEBXPJYASSMRON-UHFFFAOYSA-N 2 1 316.489 3.323 20 0 DGADMP C[NH2+]CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423199836 434282092 /nfs/dbraw/zinc/28/20/92/434282092.db2.gz KULFADIYMILNAW-LBPRGKRZSA-N 2 1 315.280 3.185 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@H]1c1ccccc1 ZINC000328323933 434282508 /nfs/dbraw/zinc/28/25/08/434282508.db2.gz FMYWHCIRODRNFZ-QYZOEREBSA-N 2 1 314.473 3.153 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000382834994 434282902 /nfs/dbraw/zinc/28/29/02/434282902.db2.gz NCESDQPGUUEHHI-IAQYHMDHSA-N 2 1 301.261 3.466 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000328376801 434283021 /nfs/dbraw/zinc/28/30/21/434283021.db2.gz KTGXTDJRXGPPII-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000423209730 434283728 /nfs/dbraw/zinc/28/37/28/434283728.db2.gz JKHRFBAMTNFBSJ-WFASDCNBSA-N 2 1 311.267 3.489 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423211007 434285236 /nfs/dbraw/zinc/28/52/36/434285236.db2.gz KLQVCSUFKAAWGM-QWRGUYRKSA-N 2 1 315.230 3.238 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423211005 434286190 /nfs/dbraw/zinc/28/61/90/434286190.db2.gz KLQVCSUFKAAWGM-GHMZBOCLSA-N 2 1 315.230 3.238 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000358011213 434286338 /nfs/dbraw/zinc/28/63/38/434286338.db2.gz YSMUUAUSSUZNJH-OFQRWUPVSA-N 2 1 306.450 3.227 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000358011213 434286349 /nfs/dbraw/zinc/28/63/49/434286349.db2.gz YSMUUAUSSUZNJH-OFQRWUPVSA-N 2 1 306.450 3.227 20 0 DGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1Cl ZINC000450599435 434288879 /nfs/dbraw/zinc/28/88/79/434288879.db2.gz LDQJXVFLYDVYPN-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1Cl ZINC000450599435 434288886 /nfs/dbraw/zinc/28/88/86/434288886.db2.gz LDQJXVFLYDVYPN-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423214368 434289766 /nfs/dbraw/zinc/28/97/66/434289766.db2.gz OUDHQEBDAYEMNV-GHMZBOCLSA-N 2 1 315.230 3.238 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423214369 434292417 /nfs/dbraw/zinc/29/24/17/434292417.db2.gz OUDHQEBDAYEMNV-MNOVXSKESA-N 2 1 315.230 3.238 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)CC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348392659 434298983 /nfs/dbraw/zinc/29/89/83/434298983.db2.gz PUCGNCJCAGPQND-FFZOFVMBSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000358066364 434313686 /nfs/dbraw/zinc/31/36/86/434313686.db2.gz UYGBFOYVTVEKCM-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000423253631 434314593 /nfs/dbraw/zinc/31/45/93/434314593.db2.gz ZFEYPQYBJRVXPM-CEXWTWQISA-N 2 1 301.478 3.026 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000423262936 434322387 /nfs/dbraw/zinc/32/23/87/434322387.db2.gz ABOILDAKUJDTFD-NOZJJQNGSA-N 2 1 303.219 3.222 20 0 DGADMP CC[NH+]1CCC(NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000387456765 434322764 /nfs/dbraw/zinc/32/27/64/434322764.db2.gz RIBSXPPUPFTJSU-UHFFFAOYSA-N 2 1 315.505 3.115 20 0 DGADMP CC[NH+]1CCC([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000387456765 434322772 /nfs/dbraw/zinc/32/27/72/434322772.db2.gz RIBSXPPUPFTJSU-UHFFFAOYSA-N 2 1 315.505 3.115 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358091043 434324231 /nfs/dbraw/zinc/32/42/31/434324231.db2.gz XHEVYLVNTHRSSF-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423272029 434327146 /nfs/dbraw/zinc/32/71/46/434327146.db2.gz HUYRWSKNXKUYDA-IINYFYTJSA-N 2 1 302.340 3.016 20 0 DGADMP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423271468 434327233 /nfs/dbraw/zinc/32/72/33/434327233.db2.gz HOSVCDLBWGNIDE-BBRMVZONSA-N 2 1 306.450 3.262 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)CC[N@H+]1C ZINC000358163542 434362746 /nfs/dbraw/zinc/36/27/46/434362746.db2.gz ZRNZUWAEGIEXMZ-STQMWFEESA-N 2 1 322.403 3.046 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)CC[N@H+]1C ZINC000287466233 434364599 /nfs/dbraw/zinc/36/45/99/434364599.db2.gz MDYAZEQVFZTKHC-CZUORRHYSA-N 2 1 305.853 3.367 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423329537 434364912 /nfs/dbraw/zinc/36/49/12/434364912.db2.gz SXUVFHQCOJORAT-LSDHHAIUSA-N 2 1 309.251 3.153 20 0 DGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423330096 434366361 /nfs/dbraw/zinc/36/63/61/434366361.db2.gz TXBKKCXJUYVBIN-CZUORRHYSA-N 2 1 306.450 3.262 20 0 DGADMP C[C@@H](Nc1cc[nH+]cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390816294 434371524 /nfs/dbraw/zinc/37/15/24/434371524.db2.gz LIJPXPPSYHSCSJ-GDBMZVCRSA-N 2 1 315.848 3.479 20 0 DGADMP C[C@@H](Nc1cc[nH+]cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390816294 434371536 /nfs/dbraw/zinc/37/15/36/434371536.db2.gz LIJPXPPSYHSCSJ-GDBMZVCRSA-N 2 1 315.848 3.479 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)C1CC1 ZINC000423333757 434371994 /nfs/dbraw/zinc/37/19/94/434371994.db2.gz VXDCOWBBGCQQQU-MSOLQXFVSA-N 2 1 315.848 3.346 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423340903 434372352 /nfs/dbraw/zinc/37/23/52/434372352.db2.gz VZENLSYOBWILLG-DOMZBBRYSA-N 2 1 311.267 3.489 20 0 DGADMP CC(C)(C)[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390885562 434374763 /nfs/dbraw/zinc/37/47/63/434374763.db2.gz BOVAOOAEFFOQIG-ROUUACIJSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)(C)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390885562 434374771 /nfs/dbraw/zinc/37/47/71/434374771.db2.gz BOVAOOAEFFOQIG-ROUUACIJSA-N 2 1 318.505 3.284 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000417387480 434377570 /nfs/dbraw/zinc/37/75/70/434377570.db2.gz ZENCYWLIKJOAFG-LJQANCHMSA-N 2 1 304.478 3.302 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423356509 434378696 /nfs/dbraw/zinc/37/86/96/434378696.db2.gz KAXFYEKJOFHAIU-UHFFFAOYSA-N 3 1 321.468 3.044 20 0 DGADMP c1ccc(C[NH+]2CCC(NCc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423356509 434378706 /nfs/dbraw/zinc/37/87/06/434378706.db2.gz KAXFYEKJOFHAIU-UHFFFAOYSA-N 2 1 321.468 3.044 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000423369191 434384972 /nfs/dbraw/zinc/38/49/72/434384972.db2.gz FQSKLJCYKYIFOZ-WOPDTQHZSA-N 2 1 302.340 3.376 20 0 DGADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423283806 434338265 /nfs/dbraw/zinc/33/82/65/434338265.db2.gz WHLGBRLJSRKRNS-UWXNHABZSA-N 2 1 302.462 3.290 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000366145794 434342745 /nfs/dbraw/zinc/34/27/45/434342745.db2.gz CYPRVEYXPOUEKI-SFHVURJKSA-N 2 1 314.473 3.382 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423288661 434342933 /nfs/dbraw/zinc/34/29/33/434342933.db2.gz UEFRWKOAFYZEQI-FUHWJXTLSA-N 2 1 303.494 3.004 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000389170919 434344763 /nfs/dbraw/zinc/34/47/63/434344763.db2.gz JCXIELPHUURKRS-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293772 434345943 /nfs/dbraw/zinc/34/59/43/434345943.db2.gz ASCVCLWBOKHNHM-NZSAHSFTSA-N 2 1 303.494 3.004 20 0 DGADMP CC(C)([NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423289045 434346447 /nfs/dbraw/zinc/34/64/47/434346447.db2.gz VXPYLNCUKQWSAV-IPMKNSEASA-N 2 1 315.505 3.004 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423302274 434351795 /nfs/dbraw/zinc/35/17/95/434351795.db2.gz VGHWCFSQVYCSJU-RHSMWYFYSA-N 2 1 320.481 3.385 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423304950 434356552 /nfs/dbraw/zinc/35/65/52/434356552.db2.gz ZTBIHSOOQQWEMC-OCCSQVGLSA-N 2 1 303.450 3.084 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337730 434358495 /nfs/dbraw/zinc/35/84/95/434358495.db2.gz XJODQWYAAYWQCZ-WCXIOVBPSA-N 2 1 322.518 3.331 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417337730 434358506 /nfs/dbraw/zinc/35/85/06/434358506.db2.gz XJODQWYAAYWQCZ-WCXIOVBPSA-N 2 1 322.518 3.331 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000423322778 434358863 /nfs/dbraw/zinc/35/88/63/434358863.db2.gz GYMKOUVUHACEFS-MUGJNUQGSA-N 2 1 314.473 3.309 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)CC[N@H+]1C ZINC000358163536 434360413 /nfs/dbraw/zinc/36/04/13/434360413.db2.gz ZRNZUWAEGIEXMZ-QWHCGFSZSA-N 2 1 322.403 3.046 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423322412 434360455 /nfs/dbraw/zinc/36/04/55/434360455.db2.gz HCCRYWQYLLAJSG-HNNXBMFYSA-N 3 1 312.461 3.221 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCOC2)CC1)CC1CC1 ZINC000438083268 434399292 /nfs/dbraw/zinc/39/92/92/434399292.db2.gz FETHHOXCBMTGBK-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750695 434400533 /nfs/dbraw/zinc/40/05/33/434400533.db2.gz YKNRPENTBSACKI-DOTOQJQBSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750695 434400543 /nfs/dbraw/zinc/40/05/43/434400543.db2.gz YKNRPENTBSACKI-DOTOQJQBSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750695 434400550 /nfs/dbraw/zinc/40/05/50/434400550.db2.gz YKNRPENTBSACKI-DOTOQJQBSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2C)C[C@@H]1C ZINC000353750695 434400555 /nfs/dbraw/zinc/40/05/55/434400555.db2.gz YKNRPENTBSACKI-DOTOQJQBSA-N 2 1 320.477 3.317 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000394440607 434401823 /nfs/dbraw/zinc/40/18/23/434401823.db2.gz MQAILDMIWZJFJZ-VQTJNVASSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000394440607 434401833 /nfs/dbraw/zinc/40/18/33/434401833.db2.gz MQAILDMIWZJFJZ-VQTJNVASSA-N 2 1 322.452 3.307 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000358657576 434401703 /nfs/dbraw/zinc/40/17/03/434401703.db2.gz CKJMCQPIVLIDAK-AZUAARDMSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000358657576 434401711 /nfs/dbraw/zinc/40/17/11/434401711.db2.gz CKJMCQPIVLIDAK-AZUAARDMSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000358657576 434401718 /nfs/dbraw/zinc/40/17/18/434401718.db2.gz CKJMCQPIVLIDAK-AZUAARDMSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1F ZINC000423390914 434402824 /nfs/dbraw/zinc/40/28/24/434402824.db2.gz WMEBCJXGDIUDKP-SCVCMEIPSA-N 2 1 315.230 3.379 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000287592891 434403506 /nfs/dbraw/zinc/40/35/06/434403506.db2.gz RQYLLPJCHUWZHO-HNBVOPMISA-N 2 1 316.489 3.159 20 0 DGADMP COC[C@]1(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CCC[NH2+]1 ZINC000423415131 434409781 /nfs/dbraw/zinc/40/97/81/434409781.db2.gz OQGQFSZDERKOHE-RBUKOAKNSA-N 2 1 302.462 3.276 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@H]1C ZINC000353764821 434411978 /nfs/dbraw/zinc/41/19/78/434411978.db2.gz ALUVJRUVLLCWPY-CZUORRHYSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@H]1C ZINC000353764821 434411983 /nfs/dbraw/zinc/41/19/83/434411983.db2.gz ALUVJRUVLLCWPY-CZUORRHYSA-N 2 1 316.449 3.283 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2)n1 ZINC000366546747 434448174 /nfs/dbraw/zinc/44/81/74/434448174.db2.gz WAYNEFZRHWNYNB-HXUWFJFHSA-N 2 1 324.472 3.017 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@H]1C ZINC000353764821 434411990 /nfs/dbraw/zinc/41/19/90/434411990.db2.gz ALUVJRUVLLCWPY-CZUORRHYSA-N 2 1 316.449 3.283 20 0 DGADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000438112130 434412876 /nfs/dbraw/zinc/41/28/76/434412876.db2.gz DPVFVOODLYQFBW-RTBURBONSA-N 2 1 309.542 3.305 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000366546747 434448185 /nfs/dbraw/zinc/44/81/85/434448185.db2.gz WAYNEFZRHWNYNB-HXUWFJFHSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000366546747 434448194 /nfs/dbraw/zinc/44/81/94/434448194.db2.gz WAYNEFZRHWNYNB-HXUWFJFHSA-N 2 1 324.472 3.017 20 0 DGADMP C[C@@H]([NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000423438161 434423697 /nfs/dbraw/zinc/42/36/97/434423697.db2.gz GXSGDXNWCNJYNT-AHIWAGSCSA-N 2 1 303.837 3.344 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000348641443 434426750 /nfs/dbraw/zinc/42/67/50/434426750.db2.gz JHVWAMNZYSFXSK-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000348641443 434426755 /nfs/dbraw/zinc/42/67/55/434426755.db2.gz JHVWAMNZYSFXSK-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000348641443 434426761 /nfs/dbraw/zinc/42/67/61/434426761.db2.gz JHVWAMNZYSFXSK-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000348641443 434426771 /nfs/dbraw/zinc/42/67/71/434426771.db2.gz JHVWAMNZYSFXSK-NRFANRHFSA-N 2 1 322.452 3.490 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423449526 434428282 /nfs/dbraw/zinc/42/82/82/434428282.db2.gz GEUMCQYSDIKCNZ-MDNKFWRPSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423449526 434428291 /nfs/dbraw/zinc/42/82/91/434428291.db2.gz GEUMCQYSDIKCNZ-MDNKFWRPSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000397314724 434438976 /nfs/dbraw/zinc/43/89/76/434438976.db2.gz QKCRNIZCMBRGHE-VWYCJHECSA-N 2 1 317.296 3.316 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2sccc2Br)C[C@@H]1C[NH3+] ZINC000397314724 434438977 /nfs/dbraw/zinc/43/89/77/434438977.db2.gz QKCRNIZCMBRGHE-VWYCJHECSA-N 2 1 317.296 3.316 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423476190 434439328 /nfs/dbraw/zinc/43/93/28/434439328.db2.gz QVFHTOIRHDRSEC-YXJHDRRASA-N 3 1 312.461 3.349 20 0 DGADMP C[N@@H+](CCOC1CCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000287737429 434439626 /nfs/dbraw/zinc/43/96/26/434439626.db2.gz KZAFZZHAWKWJJS-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCOC1CCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287737429 434439636 /nfs/dbraw/zinc/43/96/36/434439636.db2.gz KZAFZZHAWKWJJS-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCOC1CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287737429 434439640 /nfs/dbraw/zinc/43/96/40/434439640.db2.gz KZAFZZHAWKWJJS-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000353800417 434440696 /nfs/dbraw/zinc/44/06/96/434440696.db2.gz CKJCPNHODWTXJU-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000353800417 434440705 /nfs/dbraw/zinc/44/07/05/434440705.db2.gz CKJCPNHODWTXJU-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450851470 434441704 /nfs/dbraw/zinc/44/17/04/434441704.db2.gz BNKDSGOSOYSIDY-SFHVURJKSA-N 2 1 320.525 3.420 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450851470 434441711 /nfs/dbraw/zinc/44/17/11/434441711.db2.gz BNKDSGOSOYSIDY-SFHVURJKSA-N 2 1 320.525 3.420 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423509330 434465608 /nfs/dbraw/zinc/46/56/08/434465608.db2.gz JMGDGVXNRMDFIQ-FFZOFVMBSA-N 2 1 309.457 3.138 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2nc3cccc(Cl)c3n2C)[C@H](C)C1 ZINC000359996216 434469486 /nfs/dbraw/zinc/46/94/86/434469486.db2.gz VUIZYUVBNMIWQI-OCCSQVGLSA-N 2 1 320.868 3.047 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000348756088 434474667 /nfs/dbraw/zinc/47/46/67/434474667.db2.gz LTHOXPKJCJBKKT-SJORKVTESA-N 2 1 315.486 3.315 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC000348756088 434474678 /nfs/dbraw/zinc/47/46/78/434474678.db2.gz LTHOXPKJCJBKKT-SJORKVTESA-N 2 1 315.486 3.315 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1OC(F)(F)F ZINC000423528576 434475434 /nfs/dbraw/zinc/47/54/34/434475434.db2.gz OOMPPUKAVOJOOP-NSHDSACASA-N 2 1 302.340 3.378 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000296009826 434476068 /nfs/dbraw/zinc/47/60/68/434476068.db2.gz RAMSBSCBHNKWKF-IPQPSQTFSA-N 2 1 316.489 3.477 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@@H+]1C ZINC000360022748 434477093 /nfs/dbraw/zinc/47/70/93/434477093.db2.gz IMZIKENPDDDJMY-SJLPKXTDSA-N 2 1 324.472 3.422 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@H+]1C ZINC000360022748 434477104 /nfs/dbraw/zinc/47/71/04/434477104.db2.gz IMZIKENPDDDJMY-SJLPKXTDSA-N 2 1 324.472 3.422 20 0 DGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000423534655 434481221 /nfs/dbraw/zinc/48/12/21/434481221.db2.gz WMJYAZWLSZJYLU-JKSUJKDBSA-N 2 1 306.450 3.262 20 0 DGADMP FC(F)(F)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423533962 434481784 /nfs/dbraw/zinc/48/17/84/434481784.db2.gz UXESPDRQYHZNFO-SSHXOBKSSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400368911 434485615 /nfs/dbraw/zinc/48/56/15/434485615.db2.gz SWBXCQUCTSZCKZ-YTQUADARSA-N 2 1 315.505 3.017 20 0 DGADMP CO[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252891 434487206 /nfs/dbraw/zinc/48/72/06/434487206.db2.gz DCSUPLKYNCDDSE-OALUTQOASA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252891 434487215 /nfs/dbraw/zinc/48/72/15/434487215.db2.gz DCSUPLKYNCDDSE-OALUTQOASA-N 2 1 316.489 3.302 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398147751 434453911 /nfs/dbraw/zinc/45/39/11/434453911.db2.gz OLFMITWSHGJWRM-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398147751 434453923 /nfs/dbraw/zinc/45/39/23/434453923.db2.gz OLFMITWSHGJWRM-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497660 434458044 /nfs/dbraw/zinc/45/80/44/434458044.db2.gz AKUDZHWAOMIUBX-VHDGCEQUSA-N 2 1 300.368 3.453 20 0 DGADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348866175 434533208 /nfs/dbraw/zinc/53/32/08/434533208.db2.gz GHRFJMHWZIAVIG-YIONKMFJSA-N 2 1 316.474 3.195 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348866175 434533217 /nfs/dbraw/zinc/53/32/17/434533217.db2.gz GHRFJMHWZIAVIG-YIONKMFJSA-N 2 1 316.474 3.195 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348866175 434533223 /nfs/dbraw/zinc/53/32/23/434533223.db2.gz GHRFJMHWZIAVIG-YIONKMFJSA-N 2 1 316.474 3.195 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348866175 434533231 /nfs/dbraw/zinc/53/32/31/434533231.db2.gz GHRFJMHWZIAVIG-YIONKMFJSA-N 2 1 316.474 3.195 20 0 DGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000353935130 434535583 /nfs/dbraw/zinc/53/55/83/434535583.db2.gz YPKRQWVLKCEVQC-WOJBJXKFSA-N 2 1 316.489 3.230 20 0 DGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000353935130 434535590 /nfs/dbraw/zinc/53/55/90/434535590.db2.gz YPKRQWVLKCEVQC-WOJBJXKFSA-N 2 1 316.489 3.230 20 0 DGADMP CCOC(=O)c1coc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000353935173 434536552 /nfs/dbraw/zinc/53/65/52/434536552.db2.gz ZADWRWAHMYOSSZ-HNNXBMFYSA-N 2 1 322.449 3.058 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000524728178 294984272 /nfs/dbraw/zinc/98/42/72/294984272.db2.gz YDJMTFUHFYSNTA-IKGGRYGDSA-N 2 1 321.534 3.205 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@H]1c1cccs1 ZINC000417947844 434555311 /nfs/dbraw/zinc/55/53/11/434555311.db2.gz UIHHFYCLEBGRCX-YCPHGPKFSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@H]1c1cccs1 ZINC000417947844 434555321 /nfs/dbraw/zinc/55/53/21/434555321.db2.gz UIHHFYCLEBGRCX-YCPHGPKFSA-N 2 1 308.491 3.288 20 0 DGADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417951786 434555730 /nfs/dbraw/zinc/55/57/30/434555730.db2.gz ZEWAFPWLRWNKMF-PBHICJAKSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417951786 434555736 /nfs/dbraw/zinc/55/57/36/434555736.db2.gz ZEWAFPWLRWNKMF-PBHICJAKSA-N 2 1 318.490 3.137 20 0 DGADMP C[NH+]1CCN([C@@H](C[NH2+]CCC(C)(C)C)c2cccs2)CC1 ZINC000526124171 295059787 /nfs/dbraw/zinc/05/97/87/295059787.db2.gz IGCXEOHBCTYJCQ-HNNXBMFYSA-N 2 1 309.523 3.062 20 0 DGADMP CCC[N@@H+](C)CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000527000284 295069339 /nfs/dbraw/zinc/06/93/39/295069339.db2.gz CUVDLUVHOSJNLP-UHFFFAOYSA-N 2 1 302.422 3.141 20 0 DGADMP CCCN(C)CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000527000284 295069340 /nfs/dbraw/zinc/06/93/40/295069340.db2.gz CUVDLUVHOSJNLP-UHFFFAOYSA-N 2 1 302.422 3.141 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1Sc1ccccc1 ZINC000459370882 434570859 /nfs/dbraw/zinc/57/08/59/434570859.db2.gz GWQZHPQZHVASHU-RCCFBDPRSA-N 2 1 320.502 3.009 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540978 295102978 /nfs/dbraw/zinc/10/29/78/295102978.db2.gz WPMYVICXZKCWNQ-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540978 295102980 /nfs/dbraw/zinc/10/29/80/295102980.db2.gz WPMYVICXZKCWNQ-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540978 295102982 /nfs/dbraw/zinc/10/29/82/295102982.db2.gz WPMYVICXZKCWNQ-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540978 295102984 /nfs/dbraw/zinc/10/29/84/295102984.db2.gz WPMYVICXZKCWNQ-NRFANRHFSA-N 2 1 321.468 3.488 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H]1SC ZINC000459384427 434573618 /nfs/dbraw/zinc/57/36/18/434573618.db2.gz WAFAMUPPYOYMDD-GVDBMIGSSA-N 2 1 314.539 3.140 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@H]3CC34CC4)CCCC2)CC1 ZINC000527859179 295141442 /nfs/dbraw/zinc/14/14/42/295141442.db2.gz DFAXJEDZMZAZCM-DOTOQJQBSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CC34CC4)CC2)oc1C ZINC000527864889 295142876 /nfs/dbraw/zinc/14/28/76/295142876.db2.gz UDUJCHMVPQSIMI-YOEHRIQHSA-N 2 1 317.477 3.282 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C2CC2)cc1 ZINC000459368000 434568490 /nfs/dbraw/zinc/56/84/90/434568490.db2.gz VXKHYYOQOLMYLF-AABGKKOBSA-N 2 1 314.473 3.248 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000459403587 434578899 /nfs/dbraw/zinc/57/88/99/434578899.db2.gz HLJWIXSYCGEWNV-UHFFFAOYSA-N 2 1 310.445 3.096 20 0 DGADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1nc2c(s1)CCCC2 ZINC000459414366 434581242 /nfs/dbraw/zinc/58/12/42/434581242.db2.gz YTJSYGJNBAHLQF-UHFFFAOYSA-N 2 1 319.518 3.171 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500489 295209851 /nfs/dbraw/zinc/20/98/51/295209851.db2.gz KIBVGZPTZLSVHT-CZUORRHYSA-N 2 1 306.450 3.180 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000459579853 434617553 /nfs/dbraw/zinc/61/75/53/434617553.db2.gz ZVZPQYXDYDIRRG-JCNLHEQBSA-N 2 1 300.446 3.158 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000354100950 434619003 /nfs/dbraw/zinc/61/90/03/434619003.db2.gz PWKVWCYQSJEULA-XUVXKRRUSA-N 2 1 316.489 3.223 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000354106964 434620093 /nfs/dbraw/zinc/62/00/93/434620093.db2.gz NCSRGFCTEDSIRD-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(CC)nc1 ZINC000349146012 434621267 /nfs/dbraw/zinc/62/12/67/434621267.db2.gz GYCYMCXYBYLZTR-UHFFFAOYSA-N 2 1 300.450 3.315 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(CC)nc1 ZINC000349146012 434621273 /nfs/dbraw/zinc/62/12/73/434621273.db2.gz GYCYMCXYBYLZTR-UHFFFAOYSA-N 2 1 300.450 3.315 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000360498680 434622878 /nfs/dbraw/zinc/62/28/78/434622878.db2.gz BXSWRQPNJAKQFR-MRXNPFEDSA-N 2 1 305.491 3.435 20 0 DGADMP CCc1ccc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)o1 ZINC000354108294 434623078 /nfs/dbraw/zinc/62/30/78/434623078.db2.gz URSQWINXBRVHPJ-UHFFFAOYSA-N 2 1 322.493 3.412 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000354108693 434623403 /nfs/dbraw/zinc/62/34/03/434623403.db2.gz WUOFINBQRVQOGR-QGZVFWFLSA-N 2 1 310.507 3.298 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360568112 434640186 /nfs/dbraw/zinc/64/01/86/434640186.db2.gz JNBIWBLHSBOTFY-OAHLLOKOSA-N 2 1 315.244 3.058 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360568112 434640192 /nfs/dbraw/zinc/64/01/92/434640192.db2.gz JNBIWBLHSBOTFY-OAHLLOKOSA-N 2 1 315.244 3.058 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000418132701 434597636 /nfs/dbraw/zinc/59/76/36/434597636.db2.gz ZLGJUTZWDDFWKE-MCIONIFRSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000418132701 434597642 /nfs/dbraw/zinc/59/76/42/434597642.db2.gz ZLGJUTZWDDFWKE-MCIONIFRSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000418132701 434597649 /nfs/dbraw/zinc/59/76/49/434597649.db2.gz ZLGJUTZWDDFWKE-MCIONIFRSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000418132701 434597654 /nfs/dbraw/zinc/59/76/54/434597654.db2.gz ZLGJUTZWDDFWKE-MCIONIFRSA-N 2 1 307.507 3.386 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000459555567 434607702 /nfs/dbraw/zinc/60/77/02/434607702.db2.gz GKFRPGRXGQYWGR-UHFFFAOYSA-N 2 1 315.505 3.022 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3ncccc3c2)C1 ZINC000354085595 434611680 /nfs/dbraw/zinc/61/16/80/434611680.db2.gz XDQJUXWRFWXBCL-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Br)c2)C1 ZINC000459745875 434691710 /nfs/dbraw/zinc/69/17/10/434691710.db2.gz YPJVNLJIOPMBML-ZDUSSCGKSA-N 2 1 311.267 3.271 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000349367199 434692364 /nfs/dbraw/zinc/69/23/64/434692364.db2.gz LFIXSXDQCYJUKE-UHFFFAOYSA-N 2 1 304.438 3.142 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000349367199 434692367 /nfs/dbraw/zinc/69/23/67/434692367.db2.gz LFIXSXDQCYJUKE-UHFFFAOYSA-N 2 1 304.438 3.142 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000349383835 434698935 /nfs/dbraw/zinc/69/89/35/434698935.db2.gz MOKADKITWLNDRO-UHFFFAOYSA-N 2 1 300.450 3.159 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H]3C=CCCC3)CC2)CC1 ZINC000371158251 434647027 /nfs/dbraw/zinc/64/70/27/434647027.db2.gz RINWAQXIZLQNQP-IBGZPJMESA-N 2 1 319.537 3.223 20 0 DGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1C=CCCC1 ZINC000371158251 434647034 /nfs/dbraw/zinc/64/70/34/434647034.db2.gz RINWAQXIZLQNQP-IBGZPJMESA-N 3 1 319.537 3.223 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1C=CCCC1 ZINC000371158251 434647041 /nfs/dbraw/zinc/64/70/41/434647041.db2.gz RINWAQXIZLQNQP-IBGZPJMESA-N 3 1 319.537 3.223 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000349383835 434698940 /nfs/dbraw/zinc/69/89/40/434698940.db2.gz MOKADKITWLNDRO-UHFFFAOYSA-N 2 1 300.450 3.159 20 0 DGADMP Cc1[nH+]ccc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1Cl ZINC000354163487 434651124 /nfs/dbraw/zinc/65/11/24/434651124.db2.gz MOQXIKAMBZSTBY-ZDUSSCGKSA-N 2 1 304.825 3.236 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000354181385 434659922 /nfs/dbraw/zinc/65/99/22/434659922.db2.gz LYPLNNZLBWJOBT-XYJFISCASA-N 2 1 303.494 3.279 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000354179861 434660081 /nfs/dbraw/zinc/66/00/81/434660081.db2.gz FVMDXQWCMZXGDB-HNXFYBAISA-N 2 1 324.509 3.208 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000354179861 434660087 /nfs/dbraw/zinc/66/00/87/434660087.db2.gz FVMDXQWCMZXGDB-HNXFYBAISA-N 2 1 324.509 3.208 20 0 DGADMP CC(C)[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354188620 434662264 /nfs/dbraw/zinc/66/22/64/434662264.db2.gz MMAODDAJBWXSMU-RAFMOHDBSA-N 2 1 316.489 3.179 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371301091 434666388 /nfs/dbraw/zinc/66/63/88/434666388.db2.gz DEJSGRLYPUIQSO-MISYRCLQSA-N 2 1 315.505 3.096 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424260864 434670305 /nfs/dbraw/zinc/67/03/05/434670305.db2.gz BPQHSWPGOJYBIK-INIZCTEOSA-N 2 1 312.442 3.222 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220400 434674049 /nfs/dbraw/zinc/67/40/49/434674049.db2.gz FNOSMMADESGPSO-IRXDYDNUSA-N 2 1 317.477 3.047 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459722903 434675188 /nfs/dbraw/zinc/67/51/88/434675188.db2.gz CFTZVDPHLLIIKB-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2cc(C)cn2)C[C@H]1C ZINC000354225951 434676961 /nfs/dbraw/zinc/67/69/61/434676961.db2.gz ZUFCHTRVCKPNAK-MSOLQXFVSA-N 2 1 306.498 3.166 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2cc(C)cn2)C[C@H]1C ZINC000354225951 434676967 /nfs/dbraw/zinc/67/69/67/434676967.db2.gz ZUFCHTRVCKPNAK-MSOLQXFVSA-N 2 1 306.498 3.166 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226054 434676988 /nfs/dbraw/zinc/67/69/88/434676988.db2.gz UYPCEFQUDFXYCJ-GOEBONIOSA-N 2 1 312.461 3.243 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3ccccc3s1)CC[NH2+]CC2 ZINC000424283741 434677171 /nfs/dbraw/zinc/67/71/71/434677171.db2.gz BUVNFUWFWQNMCS-ZDUSSCGKSA-N 2 1 301.459 3.260 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424285995 434678542 /nfs/dbraw/zinc/67/85/42/434678542.db2.gz GPVKLOYCCDJKHW-ZDUSSCGKSA-N 2 1 310.844 3.486 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1C ZINC000349381947 434699894 /nfs/dbraw/zinc/69/98/94/434699894.db2.gz IUTOJNSDTOYEQR-UHFFFAOYSA-N 2 1 308.466 3.176 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1coc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424292905 434679971 /nfs/dbraw/zinc/67/99/71/434679971.db2.gz ORIYIXOOEGTMRQ-OAHLLOKOSA-N 2 1 311.429 3.306 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459733195 434685293 /nfs/dbraw/zinc/68/52/93/434685293.db2.gz GLQIRIVXURVZSO-RDJZCZTQSA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@@](C)([NH2+]C[C@H](C[NH3+])c1ccc(F)cc1)c1nccs1 ZINC000424303133 434685382 /nfs/dbraw/zinc/68/53/82/434685382.db2.gz NJJCOAIHWAJJMM-XJKSGUPXSA-N 2 1 307.438 3.240 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(Br)c2)C1 ZINC000459740274 434688949 /nfs/dbraw/zinc/68/89/49/434688949.db2.gz UAMYBWYZUOFJBY-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@@H+](CCC(=O)OC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411220631 434748342 /nfs/dbraw/zinc/74/83/42/434748342.db2.gz MBFVWKCFNCGKAO-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204101 434751355 /nfs/dbraw/zinc/75/13/55/434751355.db2.gz ITBQECVTTINJNX-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204101 434751360 /nfs/dbraw/zinc/75/13/60/434751360.db2.gz ITBQECVTTINJNX-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000419204101 434751364 /nfs/dbraw/zinc/75/13/64/434751364.db2.gz ITBQECVTTINJNX-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOCC2CCC2)C1 ZINC000419204101 434751368 /nfs/dbraw/zinc/75/13/68/434751368.db2.gz ITBQECVTTINJNX-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+](CCOCC1CCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000419224252 434754065 /nfs/dbraw/zinc/75/40/65/434754065.db2.gz ZKIDWOJQHSIVFE-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCOCC1CCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419224252 434754072 /nfs/dbraw/zinc/75/40/72/434754072.db2.gz ZKIDWOJQHSIVFE-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCOCC1CCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419224252 434754077 /nfs/dbraw/zinc/75/40/77/434754077.db2.gz ZKIDWOJQHSIVFE-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1cccs1)CC[NH2+]CC2 ZINC000424368528 434713167 /nfs/dbraw/zinc/71/31/67/434713167.db2.gz AHNJAPPVJCNSAD-CYBMUJFWSA-N 2 1 316.474 3.102 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424378064 434713339 /nfs/dbraw/zinc/71/33/39/434713339.db2.gz MUOGZKCISXRLSC-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP CCOc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424374643 434713824 /nfs/dbraw/zinc/71/38/24/434713824.db2.gz INNMDYLHHYIMJJ-OAHLLOKOSA-N 2 1 318.461 3.058 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000424373378 434714682 /nfs/dbraw/zinc/71/46/82/434714682.db2.gz XUQXQMYEGYWAGD-CHWSQXEVSA-N 2 1 320.330 3.126 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCSCc1ccccc1)CC[NH2+]CC2 ZINC000424387965 434717584 /nfs/dbraw/zinc/71/75/84/434717584.db2.gz YSFZVFJXRFHSOM-INIZCTEOSA-N 2 1 304.503 3.384 20 0 DGADMP CC(C)[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000354350327 434731424 /nfs/dbraw/zinc/73/14/24/434731424.db2.gz CAJIPWATENUGKY-VQTJNVASSA-N 2 1 318.505 3.253 20 0 DGADMP OC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411163899 434735109 /nfs/dbraw/zinc/73/51/09/434735109.db2.gz GQMKJWFGJWQVEK-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933406 434736032 /nfs/dbraw/zinc/73/60/32/434736032.db2.gz OIGJCNYTSQAOKT-MAUKXSAKSA-N 2 1 311.429 3.304 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933406 434736037 /nfs/dbraw/zinc/73/60/37/434736037.db2.gz OIGJCNYTSQAOKT-MAUKXSAKSA-N 2 1 311.429 3.304 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc(C)c1F ZINC000442861248 434773270 /nfs/dbraw/zinc/77/32/70/434773270.db2.gz DDNZFWQTQSVYIO-INIZCTEOSA-N 2 1 321.484 3.119 20 0 DGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[C@@H]1O ZINC000411409980 434774765 /nfs/dbraw/zinc/77/47/65/434774765.db2.gz VCYXETASGBDBIL-PMACEKPBSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411405440 434775201 /nfs/dbraw/zinc/77/52/01/434775201.db2.gz ZJQMIKXPHDREFH-FXAWDEMLSA-N 2 1 316.489 3.408 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453054138 434784808 /nfs/dbraw/zinc/78/48/08/434784808.db2.gz AGZDBOKTDIKGRO-HSALFYBXSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000444567957 434788920 /nfs/dbraw/zinc/78/89/20/434788920.db2.gz IIIQXDQNOAOAMG-OTWHNJEPSA-N 2 1 307.526 3.200 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000361108164 434799468 /nfs/dbraw/zinc/79/94/68/434799468.db2.gz JPCVUDYQPKKNNW-SJLPKXTDSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000361108164 434799471 /nfs/dbraw/zinc/79/94/71/434799471.db2.gz JPCVUDYQPKKNNW-SJLPKXTDSA-N 2 1 304.478 3.474 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000411510574 434790590 /nfs/dbraw/zinc/79/05/90/434790590.db2.gz YZNTXQBHVKHYHD-CQSZACIVSA-N 2 1 307.486 3.008 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000445487936 434804705 /nfs/dbraw/zinc/80/47/05/434804705.db2.gz GULVFMQTSDQXRM-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453116670 434805264 /nfs/dbraw/zinc/80/52/64/434805264.db2.gz YDSIARMDGCHHCD-HZPDHXFCSA-N 2 1 300.450 3.224 20 0 DGADMP C([NH2+][C@@H](C1CC1)C1CCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000453155142 434817345 /nfs/dbraw/zinc/81/73/45/434817345.db2.gz YOCWJLWGNZHGDG-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453193465 434825222 /nfs/dbraw/zinc/82/52/22/434825222.db2.gz IDZIFDUNRRMZBB-XUVXKRRUSA-N 2 1 316.489 3.444 20 0 DGADMP O[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411773575 434828886 /nfs/dbraw/zinc/82/88/86/434828886.db2.gz TUSUDTSZGASNKE-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411803989 434829831 /nfs/dbraw/zinc/82/98/31/434829831.db2.gz PBIRSCYKGFJBGD-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453209679 434829945 /nfs/dbraw/zinc/82/99/45/434829945.db2.gz ZEROHJRKGFUUMT-OTWHNJEPSA-N 2 1 316.489 3.180 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)OC ZINC000453245997 434839187 /nfs/dbraw/zinc/83/91/87/434839187.db2.gz GOGGOHMRKWDBJN-WCIQWLHISA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453284994 434849025 /nfs/dbraw/zinc/84/90/25/434849025.db2.gz NQBQKPDMILGTDQ-FYQPLNBISA-N 2 1 314.473 3.198 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412067821 434863773 /nfs/dbraw/zinc/86/37/73/434863773.db2.gz MGEMWHXBJHFXDT-MRXNPFEDSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412067821 434863774 /nfs/dbraw/zinc/86/37/74/434863774.db2.gz MGEMWHXBJHFXDT-MRXNPFEDSA-N 2 1 321.465 3.025 20 0 DGADMP C[C@H]1CC(C)(C)C[NH+]1CC1(C[N@@H+]2CC(C)(C)C[C@@H]2C)COC1 ZINC000412042548 434859384 /nfs/dbraw/zinc/85/93/84/434859384.db2.gz MMXNSESPWYXHAT-HOTGVXAUSA-N 2 1 308.510 3.244 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000521281337 434879080 /nfs/dbraw/zinc/87/90/80/434879080.db2.gz NDVDALHSJDXCFQ-RBUKOAKNSA-N 2 1 318.509 3.294 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000521583101 434889118 /nfs/dbraw/zinc/88/91/18/434889118.db2.gz FCKFVFPIYPFLNK-JQHSSLGASA-N 2 1 302.462 3.090 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335026 434891589 /nfs/dbraw/zinc/89/15/89/434891589.db2.gz DGPQTNPPJKYSDI-GWCFXTLKSA-N 2 1 303.233 3.184 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335026 434891590 /nfs/dbraw/zinc/89/15/90/434891590.db2.gz DGPQTNPPJKYSDI-GWCFXTLKSA-N 2 1 303.233 3.184 20 0 DGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115245 434900283 /nfs/dbraw/zinc/90/02/83/434900283.db2.gz FCPHSGUGFNYWIB-DFQSSKMNSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115245 434900290 /nfs/dbraw/zinc/90/02/90/434900290.db2.gz FCPHSGUGFNYWIB-DFQSSKMNSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)c1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccn21 ZINC000573450555 434901091 /nfs/dbraw/zinc/90/10/91/434901091.db2.gz VPYDENZLCOSHJQ-UHFFFAOYSA-N 2 1 314.477 3.231 20 0 DGADMP CC(C)c1[nH+]c(CN(C)CC2CC[NH+](C)CC2)c2ccccn21 ZINC000573450555 434901095 /nfs/dbraw/zinc/90/10/95/434901095.db2.gz VPYDENZLCOSHJQ-UHFFFAOYSA-N 2 1 314.477 3.231 20 0 DGADMP CC(C)[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995075 434905557 /nfs/dbraw/zinc/90/55/57/434905557.db2.gz DOFQWFHGKMIMIE-ROUUACIJSA-N 2 1 324.896 3.124 20 0 DGADMP CC(C)[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000521995075 434905560 /nfs/dbraw/zinc/90/55/60/434905560.db2.gz DOFQWFHGKMIMIE-ROUUACIJSA-N 2 1 324.896 3.124 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036419 434907169 /nfs/dbraw/zinc/90/71/69/434907169.db2.gz SFKAZMJVPXINQU-NVXWUHKLSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036419 434907170 /nfs/dbraw/zinc/90/71/70/434907170.db2.gz SFKAZMJVPXINQU-NVXWUHKLSA-N 2 1 324.415 3.247 20 0 DGADMP CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000552648053 434867149 /nfs/dbraw/zinc/86/71/49/434867149.db2.gz KYILFBGJDNDWMA-KRWDZBQOSA-N 2 1 312.498 3.018 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000573952470 434938209 /nfs/dbraw/zinc/93/82/09/434938209.db2.gz JHIBJJRXJXLOLS-HUUCEWRRSA-N 2 1 324.852 3.251 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638063797 434945883 /nfs/dbraw/zinc/94/58/83/434945883.db2.gz PXJZJQOOKSFRIE-RHSMWYFYSA-N 2 1 313.445 3.047 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)CN(C)C1CC1 ZINC000554939393 434954099 /nfs/dbraw/zinc/95/40/99/434954099.db2.gz UBBIBYHBVBBWTO-ICSRJNTNSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000554939393 434954101 /nfs/dbraw/zinc/95/41/01/434954101.db2.gz UBBIBYHBVBBWTO-ICSRJNTNSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000554939393 434954104 /nfs/dbraw/zinc/95/41/04/434954104.db2.gz UBBIBYHBVBBWTO-ICSRJNTNSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000554939393 434954108 /nfs/dbraw/zinc/95/41/08/434954108.db2.gz UBBIBYHBVBBWTO-ICSRJNTNSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000554939393 434954109 /nfs/dbraw/zinc/95/41/09/434954109.db2.gz UBBIBYHBVBBWTO-ICSRJNTNSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)CN(C)C1CC1 ZINC000554939394 434954937 /nfs/dbraw/zinc/95/49/37/434954937.db2.gz UBBIBYHBVBBWTO-QUCCMNQESA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000554939394 434954938 /nfs/dbraw/zinc/95/49/38/434954938.db2.gz UBBIBYHBVBBWTO-QUCCMNQESA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000554939394 434954942 /nfs/dbraw/zinc/95/49/42/434954942.db2.gz UBBIBYHBVBBWTO-QUCCMNQESA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000554939394 434954944 /nfs/dbraw/zinc/95/49/44/434954944.db2.gz UBBIBYHBVBBWTO-QUCCMNQESA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000554939394 434954948 /nfs/dbraw/zinc/95/49/48/434954948.db2.gz UBBIBYHBVBBWTO-QUCCMNQESA-N 2 1 318.505 3.093 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638122614 434957355 /nfs/dbraw/zinc/95/73/55/434957355.db2.gz LIEKDPYTDKSVCP-RTBURBONSA-N 2 1 315.505 3.177 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638122613 434958949 /nfs/dbraw/zinc/95/89/49/434958949.db2.gz LIEKDPYTDKSVCP-RBUKOAKNSA-N 2 1 315.505 3.177 20 0 DGADMP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000555228726 434965032 /nfs/dbraw/zinc/96/50/32/434965032.db2.gz HMAUMPPKLDMYMK-FJIDUMEYSA-N 2 1 316.514 3.381 20 0 DGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000555332627 434969507 /nfs/dbraw/zinc/96/95/07/434969507.db2.gz GYANQAMPPJUTLC-GFCCVEGCSA-N 2 1 309.360 3.223 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCc1c[nH+]cn1C ZINC000574389867 434974245 /nfs/dbraw/zinc/97/42/45/434974245.db2.gz ZDUSIHABFJWXJB-SFHVURJKSA-N 2 1 308.429 3.420 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3CCCCCC3)CC2)nc(C)[nH+]1 ZINC000554320424 434921513 /nfs/dbraw/zinc/92/15/13/434921513.db2.gz ZDXHLBFPNANLHH-UHFFFAOYSA-N 2 1 302.466 3.375 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1Oc1ccccc1 ZINC000556589297 435013354 /nfs/dbraw/zinc/01/33/54/435013354.db2.gz SKIXEPROEGFBER-RTBURBONSA-N 2 1 314.473 3.449 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)ccn1 ZINC000638367377 435014436 /nfs/dbraw/zinc/01/44/36/435014436.db2.gz UYRVRYUKIXDNMZ-IAGOWNOFSA-N 2 1 319.493 3.265 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1F ZINC000638376364 435017635 /nfs/dbraw/zinc/01/76/35/435017635.db2.gz JVUPPUTUNSDSJV-UKRRQHHQSA-N 2 1 317.383 3.229 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1F ZINC000638376364 435017639 /nfs/dbraw/zinc/01/76/39/435017639.db2.gz JVUPPUTUNSDSJV-UKRRQHHQSA-N 2 1 317.383 3.229 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638376715 435018028 /nfs/dbraw/zinc/01/80/28/435018028.db2.gz CJBMGVSFFFPHHQ-UHFFFAOYSA-N 2 1 316.489 3.366 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000638448610 435033822 /nfs/dbraw/zinc/03/38/22/435033822.db2.gz VKSPBWFIRAEMTN-RBSFLKMASA-N 2 1 310.532 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000638448610 435033823 /nfs/dbraw/zinc/03/38/23/435033823.db2.gz VKSPBWFIRAEMTN-RBSFLKMASA-N 2 1 310.532 3.444 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638409861 435025319 /nfs/dbraw/zinc/02/53/19/435025319.db2.gz QYYBPJDDGGAPRU-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638409861 435025322 /nfs/dbraw/zinc/02/53/22/435025322.db2.gz QYYBPJDDGGAPRU-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000556868056 435032250 /nfs/dbraw/zinc/03/22/50/435032250.db2.gz GGULHGQKTYAGMR-GJZGRUSLSA-N 2 1 306.450 3.005 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638447359 435032511 /nfs/dbraw/zinc/03/25/11/435032511.db2.gz CUYSTCUGNVVCNF-PKOBYXMFSA-N 2 1 316.489 3.495 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638447359 435032513 /nfs/dbraw/zinc/03/25/13/435032513.db2.gz CUYSTCUGNVVCNF-PKOBYXMFSA-N 2 1 316.489 3.495 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638293337 434997635 /nfs/dbraw/zinc/99/76/35/434997635.db2.gz JQEMDQOGDVKDQD-WDSOQIARSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638293337 434997638 /nfs/dbraw/zinc/99/76/38/434997638.db2.gz JQEMDQOGDVKDQD-WDSOQIARSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638293323 434997797 /nfs/dbraw/zinc/99/77/97/434997797.db2.gz JQEMDQOGDVKDQD-NEWSRXKRSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638293323 434997802 /nfs/dbraw/zinc/99/78/02/434997802.db2.gz JQEMDQOGDVKDQD-NEWSRXKRSA-N 2 1 300.446 3.123 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000464784571 434999190 /nfs/dbraw/zinc/99/91/90/434999190.db2.gz ZBCWZRRJIFZDRG-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000464784571 434999193 /nfs/dbraw/zinc/99/91/93/434999193.db2.gz ZBCWZRRJIFZDRG-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000638359725 435011817 /nfs/dbraw/zinc/01/18/17/435011817.db2.gz MLFILTFUICPWHB-DCCYDQLOSA-N 2 1 321.553 3.209 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638620962 435060599 /nfs/dbraw/zinc/06/05/99/435060599.db2.gz UVBJAXDXUTWAQR-LJQANCHMSA-N 2 1 306.494 3.236 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638620960 435061154 /nfs/dbraw/zinc/06/11/54/435061154.db2.gz UVBJAXDXUTWAQR-IBGZPJMESA-N 2 1 306.494 3.236 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638666476 435065102 /nfs/dbraw/zinc/06/51/02/435065102.db2.gz KUVZEEDFNCLANR-ZHALLVOQSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638666476 435065107 /nfs/dbraw/zinc/06/51/07/435065107.db2.gz KUVZEEDFNCLANR-ZHALLVOQSA-N 2 1 302.462 3.105 20 0 DGADMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)c(Cl)cc1O ZINC000638675254 435068087 /nfs/dbraw/zinc/06/80/87/435068087.db2.gz ROEPJIOBJYQZSH-UHFFFAOYSA-N 2 1 323.824 3.129 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000638721427 435075946 /nfs/dbraw/zinc/07/59/46/435075946.db2.gz NVAQICDGPXFMRL-HSFDUWRESA-N 2 1 324.472 3.229 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000638721427 435075950 /nfs/dbraw/zinc/07/59/50/435075950.db2.gz NVAQICDGPXFMRL-HSFDUWRESA-N 2 1 324.472 3.229 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719442 435076207 /nfs/dbraw/zinc/07/62/07/435076207.db2.gz PTFLXYGWQAKMNE-WQUXRXDGSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719442 435076213 /nfs/dbraw/zinc/07/62/13/435076213.db2.gz PTFLXYGWQAKMNE-WQUXRXDGSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765087 435085150 /nfs/dbraw/zinc/08/51/50/435085150.db2.gz JLZOOBDSHZEREE-AYBZRNKSSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765087 435085154 /nfs/dbraw/zinc/08/51/54/435085154.db2.gz JLZOOBDSHZEREE-AYBZRNKSSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638766017 435086507 /nfs/dbraw/zinc/08/65/07/435086507.db2.gz NVUALDDUFNCRBY-KPFFTGBYSA-N 2 1 316.489 3.353 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638766017 435086512 /nfs/dbraw/zinc/08/65/12/435086512.db2.gz NVUALDDUFNCRBY-KPFFTGBYSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000556886584 435037288 /nfs/dbraw/zinc/03/72/88/435037288.db2.gz NIEQVYSNWDPJST-FVPXHTFXSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)sn1 ZINC000638522011 435045467 /nfs/dbraw/zinc/04/54/67/435045467.db2.gz UIBOMQKHHNADOI-KRWDZBQOSA-N 2 1 315.486 3.106 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)sn1 ZINC000638522011 435045470 /nfs/dbraw/zinc/04/54/70/435045470.db2.gz UIBOMQKHHNADOI-KRWDZBQOSA-N 2 1 315.486 3.106 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638587659 435054459 /nfs/dbraw/zinc/05/44/59/435054459.db2.gz GYEMTOMAZZYHCW-SXLOBPIMSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638587659 435054463 /nfs/dbraw/zinc/05/44/63/435054463.db2.gz GYEMTOMAZZYHCW-SXLOBPIMSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638588568 435055700 /nfs/dbraw/zinc/05/57/00/435055700.db2.gz IUMFDMLUGNEWTM-SXLOBPIMSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638588568 435055706 /nfs/dbraw/zinc/05/57/06/435055706.db2.gz IUMFDMLUGNEWTM-SXLOBPIMSA-N 2 1 314.473 3.105 20 0 DGADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000578766600 435110176 /nfs/dbraw/zinc/11/01/76/435110176.db2.gz BLTTYCXTFZJHRS-IHPCNDPISA-N 2 1 307.441 3.339 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677702 435110164 /nfs/dbraw/zinc/11/01/64/435110164.db2.gz QKULUIWJLFCDTI-AEFFLSMTSA-N 2 1 321.534 3.061 20 0 DGADMP Cc1cc(N2CCC([NH2+]CC3(C(C)C)CC3)CC2)nc(C)[nH+]1 ZINC000638873325 435110335 /nfs/dbraw/zinc/11/03/35/435110335.db2.gz GSCZRNHBSTZKDL-UHFFFAOYSA-N 2 1 302.466 3.088 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000531788791 435118547 /nfs/dbraw/zinc/11/85/47/435118547.db2.gz JMKDMUGOBTYFNW-CYBMUJFWSA-N 2 1 303.837 3.452 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000531788791 435118551 /nfs/dbraw/zinc/11/85/51/435118551.db2.gz JMKDMUGOBTYFNW-CYBMUJFWSA-N 2 1 303.837 3.452 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638980452 435126191 /nfs/dbraw/zinc/12/61/91/435126191.db2.gz DJHUKXOTENICAU-MRHSLFKSSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638980452 435126193 /nfs/dbraw/zinc/12/61/93/435126193.db2.gz DJHUKXOTENICAU-MRHSLFKSSA-N 2 1 302.462 3.104 20 0 DGADMP CCCC[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932326 435127294 /nfs/dbraw/zinc/12/72/94/435127294.db2.gz KBWJBQZRQXNTGO-HZPDHXFCSA-N 2 1 309.523 3.205 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000531944713 435128653 /nfs/dbraw/zinc/12/86/53/435128653.db2.gz BQXIHUZAEYYMOC-IBGZPJMESA-N 2 1 304.478 3.303 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2)[C@@H](C)C1 ZINC000531944997 435129212 /nfs/dbraw/zinc/12/92/12/435129212.db2.gz UELNXLQFJIIKJM-QFBILLFUSA-N 2 1 322.468 3.095 20 0 DGADMP OCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639037678 435133042 /nfs/dbraw/zinc/13/30/42/435133042.db2.gz LKJAYYXIGDMBLE-MJGOQNOKSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639037678 435133045 /nfs/dbraw/zinc/13/30/45/435133045.db2.gz LKJAYYXIGDMBLE-MJGOQNOKSA-N 2 1 314.473 3.107 20 0 DGADMP C[N@@H+](CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000559751882 435139047 /nfs/dbraw/zinc/13/90/47/435139047.db2.gz OHXHUKJNBOEZRZ-ICSRJNTNSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000559751882 435139050 /nfs/dbraw/zinc/13/90/50/435139050.db2.gz OHXHUKJNBOEZRZ-ICSRJNTNSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000559751882 435139055 /nfs/dbraw/zinc/13/90/55/435139055.db2.gz OHXHUKJNBOEZRZ-ICSRJNTNSA-N 2 1 315.505 3.286 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCOC1 ZINC000472351938 435140891 /nfs/dbraw/zinc/14/08/91/435140891.db2.gz XQKPYFPSDMHNBN-UFYCRDLUSA-N 2 1 316.489 3.085 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000579863702 435189158 /nfs/dbraw/zinc/18/91/58/435189158.db2.gz JOMISTBPQQMCGZ-KZNAEPCWSA-N 2 1 324.896 3.268 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3=CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639182681 435190029 /nfs/dbraw/zinc/19/00/29/435190029.db2.gz MEZGMFJKJXSHPF-UYAOXDASSA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3=CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639182681 435190033 /nfs/dbraw/zinc/19/00/33/435190033.db2.gz MEZGMFJKJXSHPF-UYAOXDASSA-N 2 1 312.457 3.291 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(CO)o2)CC1)CC(C)C ZINC000580129214 435207588 /nfs/dbraw/zinc/20/75/88/435207588.db2.gz QMWXITHXQIYSQF-UHFFFAOYSA-N 2 1 322.493 3.352 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000579944615 435193351 /nfs/dbraw/zinc/19/33/51/435193351.db2.gz HBMUIBFPVRHVEU-QAPCUYQASA-N 2 1 317.477 3.209 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]CC2(O)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000580063978 435201804 /nfs/dbraw/zinc/20/18/04/435201804.db2.gz DJOGNXJZULASDG-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000474708911 435156822 /nfs/dbraw/zinc/15/68/22/435156822.db2.gz LZWFGGCMNUESEN-HNNXBMFYSA-N 2 1 312.498 3.066 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000579652331 435170507 /nfs/dbraw/zinc/17/05/07/435170507.db2.gz YERODYNZVPVZOY-IKGGRYGDSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000579652331 435170509 /nfs/dbraw/zinc/17/05/09/435170509.db2.gz YERODYNZVPVZOY-IKGGRYGDSA-N 2 1 306.498 3.156 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532524472 435173239 /nfs/dbraw/zinc/17/32/39/435173239.db2.gz ULXGBHTZIDNDDU-ZOBUZTSGSA-N 2 1 317.477 3.038 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532524472 435173244 /nfs/dbraw/zinc/17/32/44/435173244.db2.gz ULXGBHTZIDNDDU-ZOBUZTSGSA-N 2 1 317.477 3.038 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532516948 435173724 /nfs/dbraw/zinc/17/37/24/435173724.db2.gz VHPFCCWBOMJVJQ-ICSRJNTNSA-N 2 1 316.489 3.348 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532516948 435173730 /nfs/dbraw/zinc/17/37/30/435173730.db2.gz VHPFCCWBOMJVJQ-ICSRJNTNSA-N 2 1 316.489 3.348 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532524470 435174407 /nfs/dbraw/zinc/17/44/07/435174407.db2.gz ULXGBHTZIDNDDU-YQQAZPJKSA-N 2 1 317.477 3.038 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532524470 435174412 /nfs/dbraw/zinc/17/44/12/435174412.db2.gz ULXGBHTZIDNDDU-YQQAZPJKSA-N 2 1 317.477 3.038 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+](C1CC1)C1CCCC1 ZINC000579698960 435175490 /nfs/dbraw/zinc/17/54/90/435175490.db2.gz XXZXRVHPLGTJGK-UHFFFAOYSA-N 2 1 314.473 3.426 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000579698960 435175495 /nfs/dbraw/zinc/17/54/95/435175495.db2.gz XXZXRVHPLGTJGK-UHFFFAOYSA-N 2 1 314.473 3.426 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639169564 435181458 /nfs/dbraw/zinc/18/14/58/435181458.db2.gz FPDAHCKKVDCENG-ZDUSSCGKSA-N 2 1 319.399 3.333 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639169564 435181461 /nfs/dbraw/zinc/18/14/61/435181461.db2.gz FPDAHCKKVDCENG-ZDUSSCGKSA-N 2 1 319.399 3.333 20 0 DGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(Cl)cc1O ZINC000639175304 435183572 /nfs/dbraw/zinc/18/35/72/435183572.db2.gz LZPPUGPCJMTIKE-UHFFFAOYSA-N 2 1 323.824 3.081 20 0 DGADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(Cl)cc1O ZINC000639175304 435183574 /nfs/dbraw/zinc/18/35/74/435183574.db2.gz LZPPUGPCJMTIKE-UHFFFAOYSA-N 2 1 323.824 3.081 20 0 DGADMP OCC1(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639245928 435213640 /nfs/dbraw/zinc/21/36/40/435213640.db2.gz OGUWOBPKFHKFKR-IEBWSBKVSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639245928 435213645 /nfs/dbraw/zinc/21/36/45/435213645.db2.gz OGUWOBPKFHKFKR-IEBWSBKVSA-N 2 1 314.473 3.107 20 0 DGADMP CC(C)O[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000639259970 435216199 /nfs/dbraw/zinc/21/61/99/435216199.db2.gz YLRLJDADDDFWQN-PKOBYXMFSA-N 2 1 304.478 3.474 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639257756 435216322 /nfs/dbraw/zinc/21/63/22/435216322.db2.gz RDVFCPRPMKKFIX-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP CCCc1ccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000642342897 435224950 /nfs/dbraw/zinc/22/49/50/435224950.db2.gz IOBWZHCLKVQYOQ-UHFFFAOYSA-N 2 1 317.521 3.146 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000580342089 435226332 /nfs/dbraw/zinc/22/63/32/435226332.db2.gz RHMVQJRGOWSNIF-IBGZPJMESA-N 2 1 306.413 3.127 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639240352 435210224 /nfs/dbraw/zinc/21/02/24/435210224.db2.gz PMWOKRKUNAYRMI-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639240352 435210228 /nfs/dbraw/zinc/21/02/28/435210228.db2.gz PMWOKRKUNAYRMI-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639240350 435210791 /nfs/dbraw/zinc/21/07/91/435210791.db2.gz PMWOKRKUNAYRMI-DFQSSKMNSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639240350 435210794 /nfs/dbraw/zinc/21/07/94/435210794.db2.gz PMWOKRKUNAYRMI-DFQSSKMNSA-N 2 1 314.473 3.105 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000580208392 435212376 /nfs/dbraw/zinc/21/23/76/435212376.db2.gz BFXHVUVKNHDGOJ-IAGOWNOFSA-N 2 1 319.836 3.126 20 0 DGADMP OC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639305993 435238708 /nfs/dbraw/zinc/23/87/08/435238708.db2.gz ZFBTZVYTDOVBBM-IHPCNDPISA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCC1 ZINC000639305993 435238714 /nfs/dbraw/zinc/23/87/14/435238714.db2.gz ZFBTZVYTDOVBBM-IHPCNDPISA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639305994 435239495 /nfs/dbraw/zinc/23/94/95/435239495.db2.gz ZFBTZVYTDOVBBM-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639305994 435239501 /nfs/dbraw/zinc/23/95/01/435239501.db2.gz ZFBTZVYTDOVBBM-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](Cc2ccccc2)OC)CC1 ZINC000639378740 435273999 /nfs/dbraw/zinc/27/39/99/435273999.db2.gz RRZBXDUMKCDGDK-GOSISDBHSA-N 2 1 304.478 3.050 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648377000 435279997 /nfs/dbraw/zinc/27/99/97/435279997.db2.gz VPFYGGXXPUEUPN-FZMZJTMJSA-N 2 1 307.825 3.396 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384085 435281110 /nfs/dbraw/zinc/28/11/10/435281110.db2.gz JGWXFWDOGPDZPB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384085 435281114 /nfs/dbraw/zinc/28/11/14/435281114.db2.gz JGWXFWDOGPDZPB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384085 435281117 /nfs/dbraw/zinc/28/11/17/435281117.db2.gz JGWXFWDOGPDZPB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384085 435281122 /nfs/dbraw/zinc/28/11/22/435281122.db2.gz JGWXFWDOGPDZPB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000648384085 435281125 /nfs/dbraw/zinc/28/11/25/435281125.db2.gz JGWXFWDOGPDZPB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1CN2CCC1CC2 ZINC000639396864 435284477 /nfs/dbraw/zinc/28/44/77/435284477.db2.gz KRIPCMACRZYMAN-QGZVFWFLSA-N 2 1 313.470 3.336 20 0 DGADMP C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1CN2CCC1CC2 ZINC000639396864 435284478 /nfs/dbraw/zinc/28/44/78/435284478.db2.gz KRIPCMACRZYMAN-QGZVFWFLSA-N 2 1 313.470 3.336 20 0 DGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)cc1OC ZINC000639395512 435284646 /nfs/dbraw/zinc/28/46/46/435284646.db2.gz AZWZCYGMJHQBIR-KRWDZBQOSA-N 2 1 318.461 3.010 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)cc1OC ZINC000639395512 435284650 /nfs/dbraw/zinc/28/46/50/435284650.db2.gz AZWZCYGMJHQBIR-KRWDZBQOSA-N 2 1 318.461 3.010 20 0 DGADMP CCCOc1cc(C[N@H+](C)[C@@H]2CN3CCC2CC3)ccc1OC ZINC000639398528 435285144 /nfs/dbraw/zinc/28/51/44/435285144.db2.gz QKDWNYBSQRDLMY-QGZVFWFLSA-N 2 1 318.461 3.010 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)ccc1OC ZINC000639398528 435285146 /nfs/dbraw/zinc/28/51/46/435285146.db2.gz QKDWNYBSQRDLMY-QGZVFWFLSA-N 2 1 318.461 3.010 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000567315857 435307175 /nfs/dbraw/zinc/30/71/75/435307175.db2.gz HNLQGIJMGPBHGX-KRWDZBQOSA-N 2 1 309.542 3.494 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C2CCCCC2)cc1 ZINC000479263934 435325144 /nfs/dbraw/zinc/32/51/44/435325144.db2.gz AELPLNWFTYUTSH-RTBURBONSA-N 2 1 304.478 3.129 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000643456547 435327769 /nfs/dbraw/zinc/32/77/69/435327769.db2.gz DHWSGHVOJUZSEG-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000639515554 435327897 /nfs/dbraw/zinc/32/78/97/435327897.db2.gz UFDRLYULMZBMKF-BWPNAZKDSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000639515554 435327901 /nfs/dbraw/zinc/32/79/01/435327901.db2.gz UFDRLYULMZBMKF-BWPNAZKDSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000639515554 435327904 /nfs/dbraw/zinc/32/79/04/435327904.db2.gz UFDRLYULMZBMKF-BWPNAZKDSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000639515554 435327909 /nfs/dbraw/zinc/32/79/09/435327909.db2.gz UFDRLYULMZBMKF-BWPNAZKDSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000639515554 435327914 /nfs/dbraw/zinc/32/79/14/435327914.db2.gz UFDRLYULMZBMKF-BWPNAZKDSA-N 2 1 316.489 3.396 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000643457539 435329556 /nfs/dbraw/zinc/32/95/56/435329556.db2.gz JROVINPUTSSAOI-SYYJFZTOSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000643457539 435329558 /nfs/dbraw/zinc/32/95/58/435329558.db2.gz JROVINPUTSSAOI-SYYJFZTOSA-N 2 1 315.505 3.006 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1COc2c1cccc2Cl ZINC000643466763 435331657 /nfs/dbraw/zinc/33/16/57/435331657.db2.gz MOIQIBFPEQWTQZ-BZNIZROVSA-N 2 1 317.820 3.286 20 0 DGADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000643467499 435332042 /nfs/dbraw/zinc/33/20/42/435332042.db2.gz MWUSWUZDMRKQTN-ZBEGNZNMSA-N 2 1 305.809 3.186 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567651522 435336123 /nfs/dbraw/zinc/33/61/23/435336123.db2.gz ZUDSRYYBVUSSDQ-DLBZAZTESA-N 2 1 317.477 3.032 20 0 DGADMP Fc1cc2c(c(F)c1)CC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000643498202 435337058 /nfs/dbraw/zinc/33/70/58/435337058.db2.gz UWOJRBLEDKFOHR-SFHVURJKSA-N 2 1 317.383 3.117 20 0 DGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000643498202 435337059 /nfs/dbraw/zinc/33/70/59/435337059.db2.gz UWOJRBLEDKFOHR-SFHVURJKSA-N 2 1 317.383 3.117 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1)CC1CC1 ZINC000639558032 435345384 /nfs/dbraw/zinc/34/53/84/435345384.db2.gz BBSDKVWBNJLUIF-VQIMIIECSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000643547047 435348256 /nfs/dbraw/zinc/34/82/56/435348256.db2.gz YXGQVVXRAYHTJU-VQIMIIECSA-N 2 1 324.472 3.257 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546974 435348301 /nfs/dbraw/zinc/34/83/01/435348301.db2.gz XQWMZGAHVHBMTG-ZIAGYGMSSA-N 2 1 304.434 3.029 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546770 435348418 /nfs/dbraw/zinc/34/84/18/435348418.db2.gz UPDKWBCCBZTUSO-NVXWUHKLSA-N 2 1 300.446 3.473 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccnn1-c1ccccc1 ZINC000643549068 435351622 /nfs/dbraw/zinc/35/16/22/435351622.db2.gz ZWMSEWQRAYFVLA-HOTGVXAUSA-N 2 1 310.445 3.198 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccnn1-c1ccccc1 ZINC000643549067 435351770 /nfs/dbraw/zinc/35/17/70/435351770.db2.gz ZWMSEWQRAYFVLA-CVEARBPZSA-N 2 1 310.445 3.198 20 0 DGADMP COCC[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512330580 435354081 /nfs/dbraw/zinc/35/40/81/435354081.db2.gz KGIGVYZZIOLZMZ-YQVWRLOYSA-N 2 1 304.478 3.302 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512649097 435363770 /nfs/dbraw/zinc/36/37/70/435363770.db2.gz QIBUEWSLWFHQRB-CEXWTWQISA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(CC(=O)c2ccccc2F)CC1 ZINC000639472882 435312596 /nfs/dbraw/zinc/31/25/96/435312596.db2.gz BYNNZTBCCCCNKP-UHFFFAOYSA-N 2 1 306.425 3.061 20 0 DGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000478917798 435313539 /nfs/dbraw/zinc/31/35/39/435313539.db2.gz QFKMAIUZRHMMOX-OALUTQOASA-N 2 1 309.542 3.209 20 0 DGADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000481017469 435407463 /nfs/dbraw/zinc/40/74/63/435407463.db2.gz CYQQLTOGTQZLGF-APWZRJJASA-N 2 1 304.478 3.137 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)cc4cccnc43)C2)CC1 ZINC000639757649 435408782 /nfs/dbraw/zinc/40/87/82/435408782.db2.gz KQAZDAZMJWWTSS-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)CC1 ZINC000639758031 435409981 /nfs/dbraw/zinc/40/99/81/435409981.db2.gz OOHQPHRCLOJMPB-UHFFFAOYSA-N 2 1 317.458 3.321 20 0 DGADMP CCCCc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639759876 435410154 /nfs/dbraw/zinc/41/01/54/435410154.db2.gz MQDVILYUKDANSU-UHFFFAOYSA-N 2 1 307.507 3.403 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000648762186 435411454 /nfs/dbraw/zinc/41/14/54/435411454.db2.gz UUTXNIQQAOZYFI-PMACEKPBSA-N 2 1 314.473 3.247 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790470 435421234 /nfs/dbraw/zinc/42/12/34/435421234.db2.gz BABIRVKLRXZEJR-QGZVFWFLSA-N 2 1 312.461 3.151 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790470 435421239 /nfs/dbraw/zinc/42/12/39/435421239.db2.gz BABIRVKLRXZEJR-QGZVFWFLSA-N 2 1 312.461 3.151 20 0 DGADMP CC(C)n1cncc1CN[C@@H](Cc1nccn1C)c1ccccc1 ZINC000643766490 435366981 /nfs/dbraw/zinc/36/69/81/435366981.db2.gz GIEVLOFELHQAIO-SFHVURJKSA-N 2 1 323.444 3.271 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000639630247 435371870 /nfs/dbraw/zinc/37/18/70/435371870.db2.gz UGCNMPFAFYPYSL-QXAKKESOSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000639630247 435371875 /nfs/dbraw/zinc/37/18/75/435371875.db2.gz UGCNMPFAFYPYSL-QXAKKESOSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000513056686 435376375 /nfs/dbraw/zinc/37/63/75/435376375.db2.gz KGSUHGQWHXMJJX-MSOLQXFVSA-N 2 1 302.462 3.017 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000513056686 435376377 /nfs/dbraw/zinc/37/63/77/435376377.db2.gz KGSUHGQWHXMJJX-MSOLQXFVSA-N 2 1 302.462 3.017 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@H]4CCCOC4)C3)CC2)cc1 ZINC000643902102 435382704 /nfs/dbraw/zinc/38/27/04/435382704.db2.gz WNNYRWZWQRFHSX-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000568051334 435383427 /nfs/dbraw/zinc/38/34/27/435383427.db2.gz DDUPRJZZGOOWDA-LJQANCHMSA-N 2 1 306.453 3.397 20 0 DGADMP C[C@@H](O)C[N@@H+](C)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000513361823 435383911 /nfs/dbraw/zinc/38/39/11/435383911.db2.gz PNXFWRONKOSEFB-NHZBNJEXSA-N 2 1 322.880 3.130 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000513331498 435384742 /nfs/dbraw/zinc/38/47/42/435384742.db2.gz TZCBQSXVEPHTBU-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513331498 435384750 /nfs/dbraw/zinc/38/47/50/435384750.db2.gz TZCBQSXVEPHTBU-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606420 435386474 /nfs/dbraw/zinc/38/64/74/435386474.db2.gz XTWGZESTAVVBRJ-OWCLPIDISA-N 2 1 318.461 3.434 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606420 435386480 /nfs/dbraw/zinc/38/64/80/435386480.db2.gz XTWGZESTAVVBRJ-OWCLPIDISA-N 2 1 318.461 3.434 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606420 435386486 /nfs/dbraw/zinc/38/64/86/435386486.db2.gz XTWGZESTAVVBRJ-OWCLPIDISA-N 2 1 318.461 3.434 20 0 DGADMP C[C@H](c1nc2ccccc2o1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702957 435395993 /nfs/dbraw/zinc/39/59/93/435395993.db2.gz INMLMMPISRDUMZ-OAHLLOKOSA-N 2 1 322.412 3.496 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000568162636 435397963 /nfs/dbraw/zinc/39/79/63/435397963.db2.gz BNDMWMDGXPHYBV-KRWDZBQOSA-N 2 1 321.852 3.326 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568162636 435397968 /nfs/dbraw/zinc/39/79/68/435397968.db2.gz BNDMWMDGXPHYBV-KRWDZBQOSA-N 2 1 321.852 3.326 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568162050 435398357 /nfs/dbraw/zinc/39/83/57/435398357.db2.gz NDETXJVWYDMYMZ-KDOFPFPSSA-N 2 1 311.429 3.069 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568162050 435398359 /nfs/dbraw/zinc/39/83/59/435398359.db2.gz NDETXJVWYDMYMZ-KDOFPFPSSA-N 2 1 311.429 3.069 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000536662888 435399926 /nfs/dbraw/zinc/39/99/26/435399926.db2.gz GMFFBLGCMBJVLB-DLBZAZTESA-N 2 1 315.505 3.447 20 0 DGADMP COc1nc2ccccc2cc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000514971703 435451562 /nfs/dbraw/zinc/45/15/62/435451562.db2.gz CGBGPNKNYBZSJU-KDOFPFPSSA-N 2 1 313.445 3.015 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000644666561 435481406 /nfs/dbraw/zinc/48/14/06/435481406.db2.gz GPFGVUZFDPZHBJ-LJQANCHMSA-N 2 1 316.489 3.205 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000644666561 435481411 /nfs/dbraw/zinc/48/14/11/435481411.db2.gz GPFGVUZFDPZHBJ-LJQANCHMSA-N 2 1 316.489 3.205 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644561234 435457362 /nfs/dbraw/zinc/45/73/62/435457362.db2.gz VGLXCSPQIUAGLN-PBEJRMEISA-N 2 1 324.468 3.002 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644561234 435457365 /nfs/dbraw/zinc/45/73/65/435457365.db2.gz VGLXCSPQIUAGLN-PBEJRMEISA-N 2 1 324.468 3.002 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649317 435459910 /nfs/dbraw/zinc/45/99/10/435459910.db2.gz KRWWIAXDEPWRMF-CRAIPNDOSA-N 2 1 323.440 3.251 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649317 435459916 /nfs/dbraw/zinc/45/99/16/435459916.db2.gz KRWWIAXDEPWRMF-CRAIPNDOSA-N 2 1 323.440 3.251 20 0 DGADMP CC[N@@H+](CCNCc1[nH+]c(C(C)C)n2ccccc12)C(C)C ZINC000515065697 435460814 /nfs/dbraw/zinc/46/08/14/435460814.db2.gz ZTMJGRGMBSGICF-UHFFFAOYSA-N 2 1 302.466 3.278 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482253356 435461739 /nfs/dbraw/zinc/46/17/39/435461739.db2.gz QCVZSICDHBQBQK-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482253356 435461746 /nfs/dbraw/zinc/46/17/46/435461746.db2.gz QCVZSICDHBQBQK-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482253356 435461752 /nfs/dbraw/zinc/46/17/52/435461752.db2.gz QCVZSICDHBQBQK-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482253370 435461951 /nfs/dbraw/zinc/46/19/51/435461951.db2.gz QCVZSICDHBQBQK-WSTZPKSXSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482253370 435461957 /nfs/dbraw/zinc/46/19/57/435461957.db2.gz QCVZSICDHBQBQK-WSTZPKSXSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482253370 435461963 /nfs/dbraw/zinc/46/19/63/435461963.db2.gz QCVZSICDHBQBQK-WSTZPKSXSA-N 2 1 317.521 3.217 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482457893 435468900 /nfs/dbraw/zinc/46/89/00/435468900.db2.gz KRMPMOPOMQUPLM-WOJBJXKFSA-N 2 1 318.505 3.202 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCCO2)CC1)CC1CC1 ZINC000537848843 435471653 /nfs/dbraw/zinc/47/16/53/435471653.db2.gz BKYIVRJAMQVWOI-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ncc(C)cn2)cc1 ZINC000537950049 435474835 /nfs/dbraw/zinc/47/48/35/435474835.db2.gz GUAMTAAZUSGQOF-HNNXBMFYSA-N 2 1 321.428 3.172 20 0 DGADMP CC[C@H](COC)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537939911 435476565 /nfs/dbraw/zinc/47/65/65/435476565.db2.gz KZLYLAUPEJDYKJ-QXAKKESOSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC000514833659 435441496 /nfs/dbraw/zinc/44/14/96/435441496.db2.gz HYBHHEQSIMZCBF-LJQANCHMSA-N 2 1 307.526 3.057 20 0 DGADMP COc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000538524436 435504262 /nfs/dbraw/zinc/50/42/62/435504262.db2.gz UTECDZPTLYJVBT-UHFFFAOYSA-N 2 1 300.446 3.148 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000539045586 435534951 /nfs/dbraw/zinc/53/49/51/435534951.db2.gz BPBNYHRARRAGEM-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000644886516 435535245 /nfs/dbraw/zinc/53/52/45/435535245.db2.gz RFMMFDLXLCBTCD-HAZIXKIPSA-N 2 1 311.429 3.037 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000482891036 435486324 /nfs/dbraw/zinc/48/63/24/435486324.db2.gz OCKIQWAOBAWQKA-FCGDIQPGSA-N 2 1 310.526 3.274 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000515466919 435486911 /nfs/dbraw/zinc/48/69/11/435486911.db2.gz FFOZNTCCVUVAFG-DLBZAZTESA-N 2 1 324.534 3.347 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000515466919 435486916 /nfs/dbraw/zinc/48/69/16/435486916.db2.gz FFOZNTCCVUVAFG-DLBZAZTESA-N 2 1 324.534 3.347 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000569617688 435547208 /nfs/dbraw/zinc/54/72/08/435547208.db2.gz MXYUBFXIZDFJII-SFHVURJKSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000569622609 435548578 /nfs/dbraw/zinc/54/85/78/435548578.db2.gz GUSDKWFAGHTGCN-AHRSYUTCSA-N 3 1 315.505 3.278 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000569713605 435554624 /nfs/dbraw/zinc/55/46/24/435554624.db2.gz WIPQRGFWSGBWAL-UXHICEINSA-N 2 1 323.440 3.228 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649288330 435557038 /nfs/dbraw/zinc/55/70/38/435557038.db2.gz KROCYFCLKFVGMB-HNNXBMFYSA-N 2 1 317.477 3.375 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000539816379 435569968 /nfs/dbraw/zinc/56/99/68/435569968.db2.gz XAGBUJCUXRMYCN-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000539816379 435569972 /nfs/dbraw/zinc/56/99/72/435569972.db2.gz XAGBUJCUXRMYCN-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)[nH+]1 ZINC000539816379 435569976 /nfs/dbraw/zinc/56/99/76/435569976.db2.gz XAGBUJCUXRMYCN-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)[nH+]1 ZINC000539816379 435569980 /nfs/dbraw/zinc/56/99/80/435569980.db2.gz XAGBUJCUXRMYCN-INIZCTEOSA-N 2 1 321.428 3.200 20 0 DGADMP c1ccc2oc([C@@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000649411601 435580047 /nfs/dbraw/zinc/58/00/47/435580047.db2.gz KABYUBIUQMOVRM-HZPDHXFCSA-N 2 1 313.445 3.397 20 0 DGADMP c1ccc2oc([C@@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC000649411523 435580058 /nfs/dbraw/zinc/58/00/58/435580058.db2.gz AOCZNCGIWLOTBD-MRXNPFEDSA-N 2 1 313.445 3.397 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000517168288 435580120 /nfs/dbraw/zinc/58/01/20/435580120.db2.gz YBHPYRVDBKQXGC-AWEZNQCLSA-N 2 1 317.458 3.152 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000517168288 435580124 /nfs/dbraw/zinc/58/01/24/435580124.db2.gz YBHPYRVDBKQXGC-AWEZNQCLSA-N 2 1 317.458 3.152 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000486088363 435588239 /nfs/dbraw/zinc/58/82/39/435588239.db2.gz RKIXVMMRIRVNSP-SNPRPXQTSA-N 2 1 300.368 3.262 20 0 DGADMP C[NH+]1CCC([NH2+]CCOc2cccc(Cl)c2Cl)CC1 ZINC000539093199 435540206 /nfs/dbraw/zinc/54/02/06/435540206.db2.gz LXUCKJXGIKQAPK-UHFFFAOYSA-N 2 1 303.233 3.056 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152299 435540385 /nfs/dbraw/zinc/54/03/85/435540385.db2.gz QKXOFNQPMSSBDZ-GTAWCEEGSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152299 435540393 /nfs/dbraw/zinc/54/03/93/435540393.db2.gz QKXOFNQPMSSBDZ-GTAWCEEGSA-N 2 1 316.489 3.038 20 0 DGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168078 435540406 /nfs/dbraw/zinc/54/04/06/435540406.db2.gz ABXXLFPEQQSNJS-YSIASYRMSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168078 435540413 /nfs/dbraw/zinc/54/04/13/435540413.db2.gz ABXXLFPEQQSNJS-YSIASYRMSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@@H+](C[C@H](OC)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000644924997 435542366 /nfs/dbraw/zinc/54/23/66/435542366.db2.gz CYLRMEYEACUNAJ-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@H](OC)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644924997 435542369 /nfs/dbraw/zinc/54/23/69/435542369.db2.gz CYLRMEYEACUNAJ-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@H](OC)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644924997 435542374 /nfs/dbraw/zinc/54/23/74/435542374.db2.gz CYLRMEYEACUNAJ-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)Oc1ccnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000649507866 435610486 /nfs/dbraw/zinc/61/04/86/435610486.db2.gz FLWKOLXZPXBLNB-UHFFFAOYSA-N 2 1 319.493 3.421 20 0 DGADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354143 435612526 /nfs/dbraw/zinc/61/25/26/435612526.db2.gz RBRYCPHBTBFYIR-XLIONFOSSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354143 435612530 /nfs/dbraw/zinc/61/25/30/435612530.db2.gz RBRYCPHBTBFYIR-XLIONFOSSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354143 435612534 /nfs/dbraw/zinc/61/25/34/435612534.db2.gz RBRYCPHBTBFYIR-XLIONFOSSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354143 435612536 /nfs/dbraw/zinc/61/25/36/435612536.db2.gz RBRYCPHBTBFYIR-XLIONFOSSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354143 435612539 /nfs/dbraw/zinc/61/25/39/435612539.db2.gz RBRYCPHBTBFYIR-XLIONFOSSA-N 2 1 312.457 3.289 20 0 DGADMP Cc1cc(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c(C)[nH]1 ZINC000640532629 435598466 /nfs/dbraw/zinc/59/84/66/435598466.db2.gz HDQJBAGKXGOYPW-UHFFFAOYSA-N 2 1 305.466 3.012 20 0 DGADMP Cc1cc(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C)[nH]1 ZINC000640532629 435598472 /nfs/dbraw/zinc/59/84/72/435598472.db2.gz HDQJBAGKXGOYPW-UHFFFAOYSA-N 2 1 305.466 3.012 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(CO)ccc1F ZINC000640534082 435599059 /nfs/dbraw/zinc/59/90/59/435599059.db2.gz KZPIXNDJQFHVPZ-UHFFFAOYSA-N 2 1 308.441 3.016 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2ccccc2n1 ZINC000660417403 435733473 /nfs/dbraw/zinc/73/34/73/435733473.db2.gz YKPCPOGDJVEEAJ-UHFFFAOYSA-N 2 1 323.444 3.301 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000660417403 435733478 /nfs/dbraw/zinc/73/34/78/435733478.db2.gz YKPCPOGDJVEEAJ-UHFFFAOYSA-N 2 1 323.444 3.301 20 0 DGADMP Cc1cccc(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655703297 435735070 /nfs/dbraw/zinc/73/50/70/435735070.db2.gz DWJMOGDANZDGNI-IBGZPJMESA-N 2 1 316.489 3.116 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000655708770 435740564 /nfs/dbraw/zinc/74/05/64/435740564.db2.gz OHQCQGQQUXDYNB-BHIYHBOVSA-N 2 1 318.530 3.425 20 0 DGADMP Nc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000660435126 435742763 /nfs/dbraw/zinc/74/27/63/435742763.db2.gz LBPCBRQRJYAQQB-UHFFFAOYSA-N 2 1 310.445 3.181 20 0 DGADMP C[NH+](C)CCCOC1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641445935 435744708 /nfs/dbraw/zinc/74/47/08/435744708.db2.gz XRZCRLKIXMACEL-UHFFFAOYSA-N 2 1 319.493 3.316 20 0 DGADMP FC1(F)C[C@@]12CC[NH+](CCCC[N@@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649906687 435747192 /nfs/dbraw/zinc/74/71/92/435747192.db2.gz AIBFRXBXTGPMNR-ZIAGYGMSSA-N 2 1 320.374 3.229 20 0 DGADMP Cc1cc(Cl)cc(CNC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000571898537 435752780 /nfs/dbraw/zinc/75/27/80/435752780.db2.gz CKWNQMOJVMKMCJ-KRWDZBQOSA-N 2 1 310.869 3.095 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655725955 435753876 /nfs/dbraw/zinc/75/38/76/435753876.db2.gz OGPXIAFLEMONIK-YOEHRIQHSA-N 2 1 322.518 3.221 20 0 DGADMP CC(C)C(C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C(C)C ZINC000519754581 435706139 /nfs/dbraw/zinc/70/61/39/435706139.db2.gz WPLSNHYBJBKWTM-IBGZPJMESA-N 2 1 318.505 3.271 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645893677 435714142 /nfs/dbraw/zinc/71/41/42/435714142.db2.gz TZGIWSCGTNDAHM-MRXNPFEDSA-N 2 1 304.434 3.050 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1(C2CCC2)CCC1 ZINC000655775066 435790169 /nfs/dbraw/zinc/79/01/69/435790169.db2.gz NXGBFKJRMCFTAA-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP CCC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655774685 435791273 /nfs/dbraw/zinc/79/12/73/435791273.db2.gz ZWXQZCJFXXMDOS-AOIWGVFYSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC000660539768 435795752 /nfs/dbraw/zinc/79/57/52/435795752.db2.gz NTPBVTHHJBACIV-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539768 435795761 /nfs/dbraw/zinc/79/57/61/435795761.db2.gz NTPBVTHHJBACIV-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539768 435795768 /nfs/dbraw/zinc/79/57/68/435795768.db2.gz NTPBVTHHJBACIV-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550237950 435797973 /nfs/dbraw/zinc/79/79/73/435797973.db2.gz IKANMYFISFTNAN-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237950 435797977 /nfs/dbraw/zinc/79/79/77/435797977.db2.gz IKANMYFISFTNAN-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237950 435797980 /nfs/dbraw/zinc/79/79/80/435797980.db2.gz IKANMYFISFTNAN-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000655819181 435821734 /nfs/dbraw/zinc/82/17/34/435821734.db2.gz WVRJGGYVVOMYFN-LDLYASANSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000651758871 435817602 /nfs/dbraw/zinc/81/76/02/435817602.db2.gz QJPZNTXTDATROY-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660473671 435764590 /nfs/dbraw/zinc/76/45/90/435764590.db2.gz SJQHVQCUDCXGAI-GDBMZVCRSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473671 435764596 /nfs/dbraw/zinc/76/45/96/435764596.db2.gz SJQHVQCUDCXGAI-GDBMZVCRSA-N 2 1 324.415 3.213 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551032563 435821037 /nfs/dbraw/zinc/82/10/37/435821037.db2.gz VXLUXKSEWAVKJF-DFQSSKMNSA-N 2 1 318.505 3.456 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551032563 435821043 /nfs/dbraw/zinc/82/10/43/435821043.db2.gz VXLUXKSEWAVKJF-DFQSSKMNSA-N 2 1 318.505 3.456 20 0 DGADMP CC1CCC(C)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655765107 435783312 /nfs/dbraw/zinc/78/33/12/435783312.db2.gz YSBOSKOCQIYGPJ-CUYAVPTFSA-N 2 1 308.510 3.436 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000641799220 435829641 /nfs/dbraw/zinc/82/96/41/435829641.db2.gz OIVYWMKOBBSOOB-HZPDHXFCSA-N 2 1 305.466 3.147 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000641823149 435834949 /nfs/dbraw/zinc/83/49/49/435834949.db2.gz REPCQURZNXDDAC-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660642539 435836659 /nfs/dbraw/zinc/83/66/59/435836659.db2.gz SKEJCPLFWHHQEE-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660642539 435836661 /nfs/dbraw/zinc/83/66/61/435836661.db2.gz SKEJCPLFWHHQEE-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660642539 435836666 /nfs/dbraw/zinc/83/66/66/435836666.db2.gz SKEJCPLFWHHQEE-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660642539 435836669 /nfs/dbraw/zinc/83/66/69/435836669.db2.gz SKEJCPLFWHHQEE-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCc1c(F)cccc1Cl)C2 ZINC000660658672 435843222 /nfs/dbraw/zinc/84/32/22/435843222.db2.gz ITGTWXXKJQHSEL-KRWDZBQOSA-N 2 1 310.844 3.439 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000572631845 435848517 /nfs/dbraw/zinc/84/85/17/435848517.db2.gz JEDDMHOZKXFVBR-GOEBONIOSA-N 2 1 308.491 3.026 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000572631845 435848524 /nfs/dbraw/zinc/84/85/24/435848524.db2.gz JEDDMHOZKXFVBR-GOEBONIOSA-N 2 1 308.491 3.026 20 0 DGADMP Cc1cnc(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c(C)c1 ZINC000660680645 435856964 /nfs/dbraw/zinc/85/69/64/435856964.db2.gz VHYYOVBJAKXLQL-UHFFFAOYSA-N 2 1 323.484 3.495 20 0 DGADMP Cc1ccccc1CCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696331 435862349 /nfs/dbraw/zinc/86/23/49/435862349.db2.gz JNIFKVPKYVWMOC-UHFFFAOYSA-N 2 1 318.505 3.000 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000655937561 435865178 /nfs/dbraw/zinc/86/51/78/435865178.db2.gz AESWTJPFJUARMI-SZMVWBNQSA-N 2 1 302.462 3.378 20 0 DGADMP CCC[NH+]1CCC(NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000651910599 435865873 /nfs/dbraw/zinc/86/58/73/435865873.db2.gz ZZXSDGHHGKYRFR-UHFFFAOYSA-N 2 1 309.542 3.495 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCCc1c(F)cccc1F)CC[NH2+]CC2 ZINC000655940049 435865959 /nfs/dbraw/zinc/86/59/59/435865959.db2.gz OBHLLERXQSQVDI-AWEZNQCLSA-N 2 1 308.416 3.361 20 0 DGADMP c1ccc2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)nsc2c1 ZINC000641799693 435827361 /nfs/dbraw/zinc/82/73/61/435827361.db2.gz PJCIWTYWKAHTTL-CJNGLKHVSA-N 2 1 301.459 3.260 20 0 DGADMP c1ccc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)nsc2c1 ZINC000641799693 435827366 /nfs/dbraw/zinc/82/73/66/435827366.db2.gz PJCIWTYWKAHTTL-CJNGLKHVSA-N 2 1 301.459 3.260 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616790 435827542 /nfs/dbraw/zinc/82/75/42/435827542.db2.gz QKCVBDLXZUBTNX-MRXNPFEDSA-N 2 1 310.894 3.460 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616790 435827549 /nfs/dbraw/zinc/82/75/49/435827549.db2.gz QKCVBDLXZUBTNX-MRXNPFEDSA-N 2 1 310.894 3.460 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616790 435827554 /nfs/dbraw/zinc/82/75/54/435827554.db2.gz QKCVBDLXZUBTNX-MRXNPFEDSA-N 2 1 310.894 3.460 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616790 435827560 /nfs/dbraw/zinc/82/75/60/435827560.db2.gz QKCVBDLXZUBTNX-MRXNPFEDSA-N 2 1 310.894 3.460 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000652037820 435893545 /nfs/dbraw/zinc/89/35/45/435893545.db2.gz ZQLLFSRFGGMKBG-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000652037820 435893548 /nfs/dbraw/zinc/89/35/48/435893548.db2.gz ZQLLFSRFGGMKBG-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2(CO)CCC2)cc1 ZINC000652038310 435894406 /nfs/dbraw/zinc/89/44/06/435894406.db2.gz PQIZIRIPWQCYBQ-HNNXBMFYSA-N 2 1 313.445 3.384 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273720 435936338 /nfs/dbraw/zinc/93/63/38/435936338.db2.gz CIJIAFHAQUKCRS-GDBMZVCRSA-N 2 1 304.482 3.088 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1Cl ZINC000652222419 435925896 /nfs/dbraw/zinc/92/58/96/435925896.db2.gz OFLLVDHABBWSAP-CYBMUJFWSA-N 2 1 313.873 3.372 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1Cl ZINC000652222419 435925898 /nfs/dbraw/zinc/92/58/98/435925898.db2.gz OFLLVDHABBWSAP-CYBMUJFWSA-N 2 1 313.873 3.372 20 0 DGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248713 435928650 /nfs/dbraw/zinc/92/86/50/435928650.db2.gz AWJAZOWNLVRYOX-AWEZNQCLSA-N 2 1 318.465 3.139 20 0 DGADMP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000665247646 435928685 /nfs/dbraw/zinc/92/86/85/435928685.db2.gz GVIQJOZFHTZGMT-REPLKXPHSA-N 3 1 313.489 3.043 20 0 DGADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1OC(F)F ZINC000665249088 435929025 /nfs/dbraw/zinc/92/90/25/435929025.db2.gz JMOLGKOCCRHLAL-NSHDSACASA-N 2 1 314.376 3.219 20 0 DGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248714 435929226 /nfs/dbraw/zinc/92/92/26/435929226.db2.gz AWJAZOWNLVRYOX-CQSZACIVSA-N 2 1 318.465 3.139 20 0 DGADMP CC[N@H+](CCC[NH2+][C@H](C)c1cn(C)nc1C)C1CCCCC1 ZINC000652237138 435931186 /nfs/dbraw/zinc/93/11/86/435931186.db2.gz ITMNBMMSSHZXQA-OAHLLOKOSA-N 2 1 306.498 3.424 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cn(C)nc1C)C1CCCCC1 ZINC000652237138 435931188 /nfs/dbraw/zinc/93/11/88/435931188.db2.gz ITMNBMMSSHZXQA-OAHLLOKOSA-N 2 1 306.498 3.424 20 0 DGADMP COCc1csc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000665263216 435932240 /nfs/dbraw/zinc/93/22/40/435932240.db2.gz INWLMDBIKOREQF-FUHWJXTLSA-N 2 1 316.470 3.477 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H]2C)cc1F ZINC000665258589 435933459 /nfs/dbraw/zinc/93/34/59/435933459.db2.gz FJRCZUIKHCGLHY-SDNTUTLCSA-N 2 1 306.425 3.058 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000650707201 435994928 /nfs/dbraw/zinc/99/49/28/435994928.db2.gz ACPYOITXYWUVGS-WNRNVDISSA-N 2 1 308.510 3.421 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249164 435992238 /nfs/dbraw/zinc/99/22/38/435992238.db2.gz GEZJKPRGXFFIFG-UXHICEINSA-N 2 1 324.468 3.439 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249164 435992243 /nfs/dbraw/zinc/99/22/43/435992243.db2.gz GEZJKPRGXFFIFG-UXHICEINSA-N 2 1 324.468 3.439 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249176 435993500 /nfs/dbraw/zinc/99/35/00/435993500.db2.gz HCMIGYFYEJGZDE-ZRNYENFQSA-N 2 1 316.489 3.125 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000665282419 435938200 /nfs/dbraw/zinc/93/82/00/435938200.db2.gz XVKNOENFPJWHOK-UHOSZYNNSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(CO)CCC1 ZINC000652310433 435946091 /nfs/dbraw/zinc/94/60/91/435946091.db2.gz GTCNADRFTIJOAJ-HKUYNNGSSA-N 2 1 316.489 3.039 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000652335868 435953701 /nfs/dbraw/zinc/95/37/01/435953701.db2.gz MUCXRNPUIDNUGX-LJQANCHMSA-N 2 1 313.445 3.124 20 0 DGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347576 435954990 /nfs/dbraw/zinc/95/49/90/435954990.db2.gz DTTJMNZTNCZYNJ-BASYENTBSA-N 2 1 306.425 3.105 20 0 DGADMP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000656466449 435955137 /nfs/dbraw/zinc/95/51/37/435955137.db2.gz MBBKDSTXTOBQGJ-UHFFFAOYSA-N 2 1 312.379 3.464 20 0 DGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349136 435955835 /nfs/dbraw/zinc/95/58/35/435955835.db2.gz BXCUTOWZEIUJMF-BHYGNILZSA-N 2 1 320.502 3.127 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348267 435955950 /nfs/dbraw/zinc/95/59/50/435955950.db2.gz ZLHRWGUAQIBZKS-VAGZCVSGSA-N 2 1 324.415 3.244 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)[C@@H]1CC[NH3+] ZINC000652355665 435956298 /nfs/dbraw/zinc/95/62/98/435956298.db2.gz CIKQLEFKROMASN-CZUORRHYSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)[C@@H]1CC[NH3+] ZINC000652355665 435956302 /nfs/dbraw/zinc/95/63/02/435956302.db2.gz CIKQLEFKROMASN-CZUORRHYSA-N 2 1 317.408 3.430 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000650709168 435998028 /nfs/dbraw/zinc/99/80/28/435998028.db2.gz IBSJUCVDUOFLIF-YJBOKZPZSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000650709168 435998035 /nfs/dbraw/zinc/99/80/35/435998035.db2.gz IBSJUCVDUOFLIF-YJBOKZPZSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000650708934 435999121 /nfs/dbraw/zinc/99/91/21/435999121.db2.gz VYTITMVNOZVBFJ-UJMXGEILSA-N 2 1 314.473 3.008 20 0 DGADMP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711172 435999232 /nfs/dbraw/zinc/99/92/32/435999232.db2.gz KRAOZWBALOFXMY-HOCLYGCPSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711172 435999236 /nfs/dbraw/zinc/99/92/36/435999236.db2.gz KRAOZWBALOFXMY-HOCLYGCPSA-N 2 1 300.450 3.006 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000650715148 436001105 /nfs/dbraw/zinc/00/11/05/436001105.db2.gz RLXUFIKLLLEZSG-UHOSZYNNSA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccc2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])sc2c1 ZINC000650712131 436001880 /nfs/dbraw/zinc/00/18/80/436001880.db2.gz RKBJLKAGXOOKOM-IUODEOHRSA-N 2 1 319.474 3.254 20 0 DGADMP COc1ccc2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])sc2c1 ZINC000650712131 436001882 /nfs/dbraw/zinc/00/18/82/436001882.db2.gz RKBJLKAGXOOKOM-IUODEOHRSA-N 2 1 319.474 3.254 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000650724469 436008802 /nfs/dbraw/zinc/00/88/02/436008802.db2.gz GUYCDIGKCVHJJF-LJDSDSDDSA-N 2 1 314.473 3.151 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000656693398 436013531 /nfs/dbraw/zinc/01/35/31/436013531.db2.gz GFFOLMHUVHCVDB-DOTOQJQBSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000656693398 436013534 /nfs/dbraw/zinc/01/35/34/436013534.db2.gz GFFOLMHUVHCVDB-DOTOQJQBSA-N 2 1 300.446 3.192 20 0 DGADMP c1ccc2c(c1)O[C@H](CC[NH2+]C1CC[NH+](C3CC3)CC1)CS2 ZINC000647321385 436013698 /nfs/dbraw/zinc/01/36/98/436013698.db2.gz MNYJJFXXLYWYNX-MRXNPFEDSA-N 2 1 318.486 3.146 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)CC[N@H+]1C ZINC000647320808 436013945 /nfs/dbraw/zinc/01/39/45/436013945.db2.gz FFSYEJYTOWICEG-RBSFLKMASA-N 2 1 306.475 3.002 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)c(F)c1 ZINC000650756236 436022553 /nfs/dbraw/zinc/02/25/53/436022553.db2.gz XDGYAXZKNNBAHJ-QGZVFWFLSA-N 2 1 316.424 3.419 20 0 DGADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786403 436045768 /nfs/dbraw/zinc/04/57/68/436045768.db2.gz SETSZACCTHYJHV-HNNXBMFYSA-N 2 1 305.491 3.232 20 0 DGADMP CC1(C)CCC(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650708258 435995534 /nfs/dbraw/zinc/99/55/34/435995534.db2.gz WHTHSTNCQLPPHD-BZSNNMDCSA-N 2 1 308.510 3.421 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706260 435996176 /nfs/dbraw/zinc/99/61/76/435996176.db2.gz HOHMQMBWJPOHSL-GBESFXJTSA-N 2 1 302.462 3.022 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707732 435996388 /nfs/dbraw/zinc/99/63/88/435996388.db2.gz LZQJWQXUAYTKBH-SCTDSRPQSA-N 2 1 302.462 3.022 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C)s1 ZINC000650707280 435996450 /nfs/dbraw/zinc/99/64/50/435996450.db2.gz CBOUAHYPHPBHNH-USXIJHARSA-N 2 1 308.491 3.083 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000650706954 435996632 /nfs/dbraw/zinc/99/66/32/435996632.db2.gz VVQRKEJOPGBNRH-MDZRGWNJSA-N 2 1 314.429 3.151 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000647479614 436059243 /nfs/dbraw/zinc/05/92/43/436059243.db2.gz NEUNUTGLUOMXMJ-CZUORRHYSA-N 2 1 316.474 3.102 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000647479614 436059247 /nfs/dbraw/zinc/05/92/47/436059247.db2.gz NEUNUTGLUOMXMJ-CZUORRHYSA-N 2 1 316.474 3.102 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479445 436061317 /nfs/dbraw/zinc/06/13/17/436061317.db2.gz HCVSJUINRRGCTH-AZUAARDMSA-N 2 1 314.473 3.439 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647485604 436062935 /nfs/dbraw/zinc/06/29/35/436062935.db2.gz IEYDFUDJPJTOGP-RDJZCZTQSA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647485604 436062941 /nfs/dbraw/zinc/06/29/41/436062941.db2.gz IEYDFUDJPJTOGP-RDJZCZTQSA-N 2 1 320.477 3.304 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1[NH3+] ZINC000647498595 436064927 /nfs/dbraw/zinc/06/49/27/436064927.db2.gz KWFQAZQFRVTFQD-TZMCWYRMSA-N 2 1 316.367 3.187 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498271 436065454 /nfs/dbraw/zinc/06/54/54/436065454.db2.gz DLFHSQDZHSERGY-PBHICJAKSA-N 2 1 321.896 3.499 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498271 436065461 /nfs/dbraw/zinc/06/54/61/436065461.db2.gz DLFHSQDZHSERGY-PBHICJAKSA-N 2 1 321.896 3.499 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000647497722 436065525 /nfs/dbraw/zinc/06/55/25/436065525.db2.gz SMEWBEZIVNSHBX-PKOBYXMFSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000647497722 436065530 /nfs/dbraw/zinc/06/55/30/436065530.db2.gz SMEWBEZIVNSHBX-PKOBYXMFSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CC[C@@H]1[NH3+] ZINC000647497712 436066551 /nfs/dbraw/zinc/06/65/51/436066551.db2.gz SHPLNTSZFGATLF-LXZKKBNFSA-N 2 1 308.441 3.072 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498698 436066812 /nfs/dbraw/zinc/06/68/12/436066812.db2.gz NLWWUOJIYXPLOW-IRXDYDNUSA-N 2 1 320.477 3.289 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498698 436066819 /nfs/dbraw/zinc/06/68/19/436066819.db2.gz NLWWUOJIYXPLOW-IRXDYDNUSA-N 2 1 320.477 3.289 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000647536688 436075188 /nfs/dbraw/zinc/07/51/88/436075188.db2.gz WAHLKJOSQUEOCY-KBXCAEBGSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000647536688 436075192 /nfs/dbraw/zinc/07/51/92/436075192.db2.gz WAHLKJOSQUEOCY-KBXCAEBGSA-N 2 1 306.450 3.043 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647543600 436077095 /nfs/dbraw/zinc/07/70/95/436077095.db2.gz PYLUNEVPOXTRGU-ZWKOTPCHSA-N 2 1 302.462 3.215 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543451 436078225 /nfs/dbraw/zinc/07/82/25/436078225.db2.gz NRJUANZQSPEGIJ-HUUCEWRRSA-N 2 1 305.491 3.232 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543970 436078533 /nfs/dbraw/zinc/07/85/33/436078533.db2.gz VBZPOHQUGIVLHF-GJZGRUSLSA-N 2 1 324.415 3.500 20 0 DGADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543085 436079484 /nfs/dbraw/zinc/07/94/84/436079484.db2.gz HMLMCIPNIZIVIY-CABCVRRESA-N 2 1 305.491 3.232 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549051 436080739 /nfs/dbraw/zinc/08/07/39/436080739.db2.gz GUHRMKDDOJRCOF-SLEUVZQESA-N 2 1 300.368 3.224 20 0 DGADMP Cc1c[nH]c(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000657311536 436129451 /nfs/dbraw/zinc/12/94/51/436129451.db2.gz MYYCNXUZYBHVAW-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000647840252 436132319 /nfs/dbraw/zinc/13/23/19/436132319.db2.gz XIOXCMMAULGFBT-CHWSQXEVSA-N 2 1 300.406 3.055 20 0 DGADMP c1[nH+]c2n(c1CNc1cccc(C[NH+]3CCCCC3)c1)CCC2 ZINC000657322237 436134163 /nfs/dbraw/zinc/13/41/63/436134163.db2.gz SFGZQSYSWKLONQ-UHFFFAOYSA-N 2 1 310.445 3.427 20 0 DGADMP COCC[N@@H+](CCCC1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000647879501 436140026 /nfs/dbraw/zinc/14/00/26/436140026.db2.gz BLNVHOITNSGRDK-QGZVFWFLSA-N 2 1 304.478 3.476 20 0 DGADMP Brc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890738 436142475 /nfs/dbraw/zinc/14/24/75/436142475.db2.gz LZYAQKKRMOCUCL-WFASDCNBSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647890738 436142479 /nfs/dbraw/zinc/14/24/79/436142479.db2.gz LZYAQKKRMOCUCL-WFASDCNBSA-N 2 1 309.251 3.196 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](c2ccsc2)O1 ZINC000647889978 436142809 /nfs/dbraw/zinc/14/28/09/436142809.db2.gz CFPXTFYVPBWNMZ-RHSMWYFYSA-N 2 1 308.491 3.290 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657336926 436144611 /nfs/dbraw/zinc/14/46/11/436144611.db2.gz ATSVMRDRVGSROO-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657336926 436144614 /nfs/dbraw/zinc/14/46/14/436144614.db2.gz ATSVMRDRVGSROO-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902816 436144595 /nfs/dbraw/zinc/14/45/95/436144595.db2.gz CHECEPVJTPAGPV-IEBWSBKVSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903573 436144821 /nfs/dbraw/zinc/14/48/21/436144821.db2.gz MJWYEVWGLGRZQB-ROUUACIJSA-N 2 1 302.462 3.092 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899325 436144997 /nfs/dbraw/zinc/14/49/97/436144997.db2.gz GSQMGQCNKDIGQU-PKOBYXMFSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647936860 436151511 /nfs/dbraw/zinc/15/15/11/436151511.db2.gz MGKNUHLUDIGKEJ-GXTWGEPZSA-N 2 1 316.367 3.143 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000647937403 436152290 /nfs/dbraw/zinc/15/22/90/436152290.db2.gz XYABHCFOGFWOPV-XHDPSFHLSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000647934650 436153017 /nfs/dbraw/zinc/15/30/17/436153017.db2.gz LICLRURFTULVEE-SWLSCSKDSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000647934650 436153019 /nfs/dbraw/zinc/15/30/19/436153019.db2.gz LICLRURFTULVEE-SWLSCSKDSA-N 2 1 311.267 3.317 20 0 DGADMP Fc1c(C[NH2+]C2CCN(C3CC3)CC2)cccc1OC1CC1 ZINC000657295269 436120671 /nfs/dbraw/zinc/12/06/71/436120671.db2.gz MOKCKWAUBYPIPV-UHFFFAOYSA-N 2 1 304.409 3.083 20 0 DGADMP CCc1ccc([C@@H]2CCCCCN2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964277 436160101 /nfs/dbraw/zinc/16/01/01/436160101.db2.gz BCPISZQSGNHJQV-AEFFLSMTSA-N 2 1 322.493 3.460 20 0 DGADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1C ZINC000647965383 436161666 /nfs/dbraw/zinc/16/16/66/436161666.db2.gz UVJGNICAJHLPSO-MJGOQNOKSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1C ZINC000647965383 436161671 /nfs/dbraw/zinc/16/16/71/436161671.db2.gz UVJGNICAJHLPSO-MJGOQNOKSA-N 2 1 304.478 3.141 20 0 DGADMP CC[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000647938654 436156124 /nfs/dbraw/zinc/15/61/24/436156124.db2.gz RENRHRVWGVSYDM-RISCZKNCSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000647938654 436156126 /nfs/dbraw/zinc/15/61/26/436156126.db2.gz RENRHRVWGVSYDM-RISCZKNCSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000653298738 436156142 /nfs/dbraw/zinc/15/61/42/436156142.db2.gz FMNNNXSMLIVVKZ-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977920 436167563 /nfs/dbraw/zinc/16/75/63/436167563.db2.gz JVIBWLKLZHHBRX-MOPGFXCFSA-N 2 1 316.489 3.339 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977922 436167766 /nfs/dbraw/zinc/16/77/66/436167766.db2.gz JVIBWLKLZHHBRX-RBUKOAKNSA-N 2 1 316.489 3.339 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530336 436236677 /nfs/dbraw/zinc/23/66/77/436236677.db2.gz AXPOVQILNKOSJZ-ZWKOTPCHSA-N 2 1 314.473 3.341 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530336 436236681 /nfs/dbraw/zinc/23/66/81/436236681.db2.gz AXPOVQILNKOSJZ-ZWKOTPCHSA-N 2 1 314.473 3.341 20 0 DGADMP CCCn1nccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429882 436198319 /nfs/dbraw/zinc/19/83/19/436198319.db2.gz MIMBWXGRKKRXJY-CVEARBPZSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1nccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429882 436198323 /nfs/dbraw/zinc/19/83/23/436198323.db2.gz MIMBWXGRKKRXJY-CVEARBPZSA-N 2 1 304.482 3.036 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000648068369 436200839 /nfs/dbraw/zinc/20/08/39/436200839.db2.gz UXFZNSIVEYQUQG-YRXWBPOGSA-N 2 1 318.530 3.452 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657491918 436224330 /nfs/dbraw/zinc/22/43/30/436224330.db2.gz NFSSSZUVCNCXJQ-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159782 436288697 /nfs/dbraw/zinc/28/86/97/436288697.db2.gz KVJRAXRPTSYULT-IIBYNOLFSA-N 2 1 324.468 3.432 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159782 436288701 /nfs/dbraw/zinc/28/87/01/436288701.db2.gz KVJRAXRPTSYULT-IIBYNOLFSA-N 2 1 324.468 3.432 20 0 DGADMP C[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751889 436295224 /nfs/dbraw/zinc/29/52/24/436295224.db2.gz VHDIRFJKNBTJHY-YLJYHZDGSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000657750296 436295514 /nfs/dbraw/zinc/29/55/14/436295514.db2.gz GIPWIMMGSWOOKV-HNNXBMFYSA-N 2 1 322.518 3.389 20 0 DGADMP CCCC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000657750616 436295969 /nfs/dbraw/zinc/29/59/69/436295969.db2.gz KHPDCLKZHJUJBC-FAFZWHIHSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000657561318 436245688 /nfs/dbraw/zinc/24/56/88/436245688.db2.gz FSYRSMQZYPTRSQ-BHIYHBOVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000657561318 436245693 /nfs/dbraw/zinc/24/56/93/436245693.db2.gz FSYRSMQZYPTRSQ-BHIYHBOVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561318 436245697 /nfs/dbraw/zinc/24/56/97/436245697.db2.gz FSYRSMQZYPTRSQ-BHIYHBOVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561318 436245702 /nfs/dbraw/zinc/24/57/02/436245702.db2.gz FSYRSMQZYPTRSQ-BHIYHBOVSA-N 2 1 315.505 3.112 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000662017171 436248647 /nfs/dbraw/zinc/24/86/47/436248647.db2.gz NEARZTIHPSRERA-IBGZPJMESA-N 2 1 301.478 3.073 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662022428 436249876 /nfs/dbraw/zinc/24/98/76/436249876.db2.gz UOSPWDQWXOETSP-LJQANCHMSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662022428 436249881 /nfs/dbraw/zinc/24/98/81/436249881.db2.gz UOSPWDQWXOETSP-LJQANCHMSA-N 2 1 312.461 3.182 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@H]1C ZINC000657596410 436256301 /nfs/dbraw/zinc/25/63/01/436256301.db2.gz MYDVTDKGEJFEJF-YKCBXCCJSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657596154 436257074 /nfs/dbraw/zinc/25/70/74/436257074.db2.gz LUABYPQGFYPMDT-AHRSYUTCSA-N 2 1 316.489 3.169 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657612417 436260023 /nfs/dbraw/zinc/26/00/23/436260023.db2.gz XHOLWQCSCQVOBG-QXCFHYIPSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657612417 436260025 /nfs/dbraw/zinc/26/00/25/436260025.db2.gz XHOLWQCSCQVOBG-QXCFHYIPSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000666654388 436262059 /nfs/dbraw/zinc/26/20/59/436262059.db2.gz FDSYPSFYDAMSOP-QGZVFWFLSA-N 2 1 308.441 3.180 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770565 436278755 /nfs/dbraw/zinc/27/87/55/436278755.db2.gz JOOXSGBQXUICPX-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770720 436279982 /nfs/dbraw/zinc/27/99/82/436279982.db2.gz SWFAZNWSARXKRP-ZFWWWQNUSA-N 2 1 312.404 3.341 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000657768123 436298911 /nfs/dbraw/zinc/29/89/11/436298911.db2.gz VRWRHGPPXDRNFN-FQEVSTJZSA-N 2 1 316.489 3.446 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000657773601 436301425 /nfs/dbraw/zinc/30/14/25/436301425.db2.gz TXXWWIAWSVJFEE-LJQANCHMSA-N 2 1 309.457 3.407 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3cccnc3)C3(CCC3)C2)cc1 ZINC000657772069 436301614 /nfs/dbraw/zinc/30/16/14/436301614.db2.gz RALVWHOZQTUPAM-HXUWFJFHSA-N 2 1 321.468 3.474 20 0 DGADMP COc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000657778378 436303589 /nfs/dbraw/zinc/30/35/89/436303589.db2.gz GFLXQBRJWBIKMS-SJORKVTESA-N 2 1 300.446 3.291 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657999081 436353078 /nfs/dbraw/zinc/35/30/78/436353078.db2.gz RVPORMSIIRDOFH-MSOLQXFVSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662258419 436312379 /nfs/dbraw/zinc/31/23/79/436312379.db2.gz UNBFFAJYOCVDPP-IERDGZPVSA-N 2 1 322.452 3.294 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000662257981 436312577 /nfs/dbraw/zinc/31/25/77/436312577.db2.gz UDJZTWXDHIGYCG-IIBYNOLFSA-N 2 1 322.452 3.294 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000662257981 436312582 /nfs/dbraw/zinc/31/25/82/436312582.db2.gz UDJZTWXDHIGYCG-IIBYNOLFSA-N 2 1 322.452 3.294 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256904 436313136 /nfs/dbraw/zinc/31/31/36/436313136.db2.gz ZFXSLDGIPGELMM-MSOLQXFVSA-N 2 1 300.446 3.043 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252698 436313289 /nfs/dbraw/zinc/31/32/89/436313289.db2.gz RXFPVXJDYYWKQW-IBGZPJMESA-N 2 1 310.441 3.183 20 0 DGADMP c1ccc(C[C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662251840 436314140 /nfs/dbraw/zinc/31/41/40/436314140.db2.gz KBVRSUMOAOBJBD-SFHVURJKSA-N 2 1 306.453 3.397 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267021 436316766 /nfs/dbraw/zinc/31/67/66/436316766.db2.gz RTRGPGKDMATOMA-GHMZBOCLSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267021 436316771 /nfs/dbraw/zinc/31/67/71/436316771.db2.gz RTRGPGKDMATOMA-GHMZBOCLSA-N 2 1 323.234 3.364 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000662264774 436316866 /nfs/dbraw/zinc/31/68/66/436316866.db2.gz LNZBQZKEFNCVGU-MAUKXSAKSA-N 2 1 320.502 3.251 20 0 DGADMP CCC[N@@H+](CCSc1cccc(OC)c1)C1CC[NH2+]CC1 ZINC000662262031 436317472 /nfs/dbraw/zinc/31/74/72/436317472.db2.gz CXCQQFAMAMYXPX-UHFFFAOYSA-N 2 1 308.491 3.251 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC ZINC000666969727 436317945 /nfs/dbraw/zinc/31/79/45/436317945.db2.gz NXEAVWRVWCCIGZ-YOEHRIQHSA-N 2 1 320.477 3.480 20 0 DGADMP c1ccc2c(CC[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)nsc2c1 ZINC000662276468 436322554 /nfs/dbraw/zinc/32/25/54/436322554.db2.gz NHRRHQDZDPGTII-PBHICJAKSA-N 2 1 315.486 3.303 20 0 DGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000657849901 436324489 /nfs/dbraw/zinc/32/44/89/436324489.db2.gz NLXLSJDPSMJFNE-KRWDZBQOSA-N 2 1 324.896 3.362 20 0 DGADMP CCCCc1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291623 436324786 /nfs/dbraw/zinc/32/47/86/436324786.db2.gz VVWXAUMUCRBAHB-GOEBONIOSA-N 2 1 320.481 3.185 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662310056 436328110 /nfs/dbraw/zinc/32/81/10/436328110.db2.gz GRJRROFRLMSGPJ-QAPCUYQASA-N 2 1 320.452 3.367 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)[C@@H]1CCC[NH3+] ZINC000662317038 436329297 /nfs/dbraw/zinc/32/92/97/436329297.db2.gz YVWKZGMKANBPAN-VQIMIIECSA-N 2 1 312.461 3.212 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)[C@@H]1CCC[NH3+] ZINC000662311985 436329575 /nfs/dbraw/zinc/32/95/75/436329575.db2.gz FEQGQPDPVOCVEK-CZUORRHYSA-N 2 1 320.868 3.327 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657869182 436329757 /nfs/dbraw/zinc/32/97/57/436329757.db2.gz ZJFAIQDKEOILQO-MOPGFXCFSA-N 2 1 318.530 3.426 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000657868525 436330210 /nfs/dbraw/zinc/33/02/10/436330210.db2.gz VCDXVDASPCQECK-MJGOQNOKSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322921 436331432 /nfs/dbraw/zinc/33/14/32/436331432.db2.gz JPLHZXGSJRPISX-CRAIPNDOSA-N 2 1 324.896 3.486 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322921 436331436 /nfs/dbraw/zinc/33/14/36/436331436.db2.gz JPLHZXGSJRPISX-CRAIPNDOSA-N 2 1 324.896 3.486 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325653 436331942 /nfs/dbraw/zinc/33/19/42/436331942.db2.gz OUIXIMPAQVWMOG-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325653 436331943 /nfs/dbraw/zinc/33/19/43/436331943.db2.gz OUIXIMPAQVWMOG-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)[C@H](C)C1 ZINC000658123783 436381877 /nfs/dbraw/zinc/38/18/77/436381877.db2.gz NRXBXPXEVNZRFI-VHDGCEQUSA-N 2 1 322.415 3.196 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)[C@H](C)C1 ZINC000658123783 436381879 /nfs/dbraw/zinc/38/18/79/436381879.db2.gz NRXBXPXEVNZRFI-VHDGCEQUSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137602 436384718 /nfs/dbraw/zinc/38/47/18/436384718.db2.gz KIYKSIYGBKINIO-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135871 436385378 /nfs/dbraw/zinc/38/53/78/436385378.db2.gz FPGYXORWEUGSGC-GUDVDZBRSA-N 2 1 316.489 3.168 20 0 DGADMP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139424 436386470 /nfs/dbraw/zinc/38/64/70/436386470.db2.gz RJCDRTIQDSZCFU-XUVXKRRUSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCCCC1 ZINC000658144647 436386630 /nfs/dbraw/zinc/38/66/30/436386630.db2.gz NHFNSJOGZMTBNJ-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143508 436386909 /nfs/dbraw/zinc/38/69/09/436386909.db2.gz ZDMVXXSFHYIOHK-PXNSSMCTSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658144454 436387376 /nfs/dbraw/zinc/38/73/76/436387376.db2.gz MCXCEQQGCDEWGM-UZLBHIALSA-N 2 1 310.441 3.104 20 0 DGADMP OCCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000662923655 436400487 /nfs/dbraw/zinc/40/04/87/436400487.db2.gz NBDWXZASQKNJKF-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658227779 436405374 /nfs/dbraw/zinc/40/53/74/436405374.db2.gz CVBNGJLARGCENI-AEFFLSMTSA-N 2 1 318.509 3.392 20 0 DGADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658227779 436405377 /nfs/dbraw/zinc/40/53/77/436405377.db2.gz CVBNGJLARGCENI-AEFFLSMTSA-N 2 1 318.509 3.392 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320363 436429526 /nfs/dbraw/zinc/42/95/26/436429526.db2.gz UGSWOQHGFIJKNU-LMMKCTJWSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)c1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000663318025 436437231 /nfs/dbraw/zinc/43/72/31/436437231.db2.gz RGKRKLLATZKNOJ-LJQANCHMSA-N 2 1 304.478 3.137 20 0 DGADMP c1ccc2c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccnc2c1 ZINC000663345648 436442267 /nfs/dbraw/zinc/44/22/67/436442267.db2.gz MJTSQTTYYDOPLC-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344507 436442507 /nfs/dbraw/zinc/44/25/07/436442507.db2.gz UOQCPRGUHDOJLW-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344507 436442511 /nfs/dbraw/zinc/44/25/11/436442511.db2.gz UOQCPRGUHDOJLW-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CO2 ZINC000663346941 436443217 /nfs/dbraw/zinc/44/32/17/436443217.db2.gz YDHNHGZIAGSWBK-QGZVFWFLSA-N 2 1 312.457 3.174 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344558 436443304 /nfs/dbraw/zinc/44/33/04/436443304.db2.gz AMUWMCNCWCQEIL-MAUKXSAKSA-N 2 1 304.453 3.468 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663347314 436443808 /nfs/dbraw/zinc/44/38/08/436443808.db2.gz KDNXJLLWMPKAFX-INIZCTEOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663347314 436443811 /nfs/dbraw/zinc/44/38/11/436443811.db2.gz KDNXJLLWMPKAFX-INIZCTEOSA-N 2 1 306.425 3.046 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467282 436465349 /nfs/dbraw/zinc/46/53/49/436465349.db2.gz ZWKUNJCDGZLLJH-IRXDYDNUSA-N 2 1 323.484 3.347 20 0 DGADMP CC(C)[C@H](O)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000658288111 436418792 /nfs/dbraw/zinc/41/87/92/436418792.db2.gz NBAIRQUZKDKLAC-OALUTQOASA-N 2 1 304.478 3.207 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000658288771 436419718 /nfs/dbraw/zinc/41/97/18/436419718.db2.gz ZCLURDHUHSNILI-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000658314486 436427928 /nfs/dbraw/zinc/42/79/28/436427928.db2.gz HFUMABVKURIDCD-QRTARXTBSA-N 2 1 315.486 3.301 20 0 DGADMP CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1[nH+]ccc3[nH]ccc31)C2 ZINC000663499397 436470156 /nfs/dbraw/zinc/47/01/56/436470156.db2.gz ZLPXMYAQNXXKCU-LBPRGKRZSA-N 2 1 309.417 3.484 20 0 DGADMP COc1cc(Cl)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663498812 436470730 /nfs/dbraw/zinc/47/07/30/436470730.db2.gz GQJVWVZJNTWKSB-CYBMUJFWSA-N 2 1 305.249 3.465 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000660011026 436578614 /nfs/dbraw/zinc/57/86/14/436578614.db2.gz NFDMGKYMOVRGBD-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP COc1cccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000660011026 436578617 /nfs/dbraw/zinc/57/86/17/436578617.db2.gz NFDMGKYMOVRGBD-CRAIPNDOSA-N 2 1 320.502 3.203 20 0 DGADMP CC[NH+](CC)CC1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659842459 436538127 /nfs/dbraw/zinc/53/81/27/436538127.db2.gz AAAAFPZYSBFKMK-HDICACEKSA-N 2 1 309.542 3.018 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659847245 436540911 /nfs/dbraw/zinc/54/09/11/436540911.db2.gz LVKNGUSPENLSPM-OALUTQOASA-N 2 1 323.569 3.408 20 0 DGADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000659858439 436546715 /nfs/dbraw/zinc/54/67/15/436546715.db2.gz DNIPRXWOUBXTCE-HKUYNNGSSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000659858439 436546720 /nfs/dbraw/zinc/54/67/20/436546720.db2.gz DNIPRXWOUBXTCE-HKUYNNGSSA-N 2 1 304.478 3.087 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000659858439 436546724 /nfs/dbraw/zinc/54/67/24/436546724.db2.gz DNIPRXWOUBXTCE-HKUYNNGSSA-N 2 1 304.478 3.087 20 0 DGADMP Cc1cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929338 436561449 /nfs/dbraw/zinc/56/14/49/436561449.db2.gz RETDGDKSNNVVJC-AEFFLSMTSA-N 2 1 316.493 3.180 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1COC(C)(C)C1 ZINC000659970290 436569397 /nfs/dbraw/zinc/56/93/97/436569397.db2.gz IUIROIUOFGGNTP-MSOLQXFVSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1COC(C)(C)C1 ZINC000659970290 436569400 /nfs/dbraw/zinc/56/94/00/436569400.db2.gz IUIROIUOFGGNTP-MSOLQXFVSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1COC(C)(C)C1 ZINC000659970290 436569403 /nfs/dbraw/zinc/56/94/03/436569403.db2.gz IUIROIUOFGGNTP-MSOLQXFVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000659984273 436573211 /nfs/dbraw/zinc/57/32/11/436573211.db2.gz GWYIQIIJZINLJZ-ZIAGYGMSSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCc2nsc3ccccc32)CC[N@H+]1C ZINC000659984273 436573215 /nfs/dbraw/zinc/57/32/15/436573215.db2.gz GWYIQIIJZINLJZ-ZIAGYGMSSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984273 436573218 /nfs/dbraw/zinc/57/32/18/436573218.db2.gz GWYIQIIJZINLJZ-ZIAGYGMSSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984273 436573221 /nfs/dbraw/zinc/57/32/21/436573221.db2.gz GWYIQIIJZINLJZ-ZIAGYGMSSA-N 2 1 303.475 3.253 20 0 DGADMP c1ccc(SCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655690937 436576028 /nfs/dbraw/zinc/57/60/28/436576028.db2.gz QFXUGXBSKQNFOZ-QGZVFWFLSA-N 2 1 320.502 3.012 20 0 DGADMP CSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000660118750 436591762 /nfs/dbraw/zinc/59/17/62/436591762.db2.gz VWLWXDOOASFAKS-RYQLBKOJSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000660118750 436591765 /nfs/dbraw/zinc/59/17/65/436591765.db2.gz VWLWXDOOASFAKS-RYQLBKOJSA-N 2 1 320.502 3.092 20 0 DGADMP CCc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000660120803 436592012 /nfs/dbraw/zinc/59/20/12/436592012.db2.gz IGSFOLVBLAOSBV-OAHLLOKOSA-N 2 1 319.497 3.016 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000660128439 436594133 /nfs/dbraw/zinc/59/41/33/436594133.db2.gz MGPFULIBXHMAJE-CYBMUJFWSA-N 2 1 312.442 3.062 20 0 DGADMP Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)C[N@H+](C)C(C)C ZINC000660263706 436616197 /nfs/dbraw/zinc/61/61/97/436616197.db2.gz MAFLOVXRJKDWCB-CABCVRRESA-N 2 1 304.434 3.093 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC[NH2+]2)cc1 ZINC000415103676 304855917 /nfs/dbraw/zinc/85/59/17/304855917.db2.gz KRMPIGQZKDCYBD-SPOLIRPYSA-N 2 1 312.457 3.027 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727701 313066819 /nfs/dbraw/zinc/06/68/19/313066819.db2.gz HRVGZBXVGPORHS-UYAOXDASSA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727701 313066823 /nfs/dbraw/zinc/06/68/23/313066823.db2.gz HRVGZBXVGPORHS-UYAOXDASSA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727701 313066824 /nfs/dbraw/zinc/06/68/24/313066824.db2.gz HRVGZBXVGPORHS-UYAOXDASSA-N 2 1 314.473 3.331 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)cn1 ZINC000528815020 313089780 /nfs/dbraw/zinc/08/97/80/313089780.db2.gz QMSPKJMVWMJSLF-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(-c2ccncc2)c1 ZINC000530460459 313372665 /nfs/dbraw/zinc/37/26/65/313372665.db2.gz VYZANMIZXQAXOE-OAHLLOKOSA-N 2 1 306.413 3.375 20 0 DGADMP Cc1cc([C@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)ccc1F ZINC000530460314 313372697 /nfs/dbraw/zinc/37/26/97/313372697.db2.gz KAUBZDHQOLWWQA-IBGZPJMESA-N 2 1 324.403 3.184 20 0 DGADMP CCC[C@@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000530619054 313389130 /nfs/dbraw/zinc/38/91/30/313389130.db2.gz CWWQFQVKXQCYFF-LJQANCHMSA-N 2 1 306.494 3.285 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCCOc2c(C)cccc2C)CC1 ZINC000530666118 313394858 /nfs/dbraw/zinc/39/48/58/313394858.db2.gz OTNZGIPBQIDPFJ-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCCOc2c(C)cccc2C)CC1 ZINC000530666118 313394860 /nfs/dbraw/zinc/39/48/60/313394860.db2.gz OTNZGIPBQIDPFJ-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000532187894 313524586 /nfs/dbraw/zinc/52/45/86/313524586.db2.gz FCMRAZUWOUHXTP-GJZGRUSLSA-N 2 1 309.523 3.061 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532204854 313527335 /nfs/dbraw/zinc/52/73/35/313527335.db2.gz QXFLFYDLFRLQND-LJQANCHMSA-N 2 1 302.462 3.228 20 0 DGADMP CCOC1CC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000541216002 314000086 /nfs/dbraw/zinc/00/00/86/314000086.db2.gz OIJCETCYSFJQGV-FVPXHTFXSA-N 2 1 316.489 3.444 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000541221327 314001112 /nfs/dbraw/zinc/00/11/12/314001112.db2.gz DMIHUDMUSLHPHD-WBVHZDCISA-N 2 1 310.507 3.112 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000542277092 314067110 /nfs/dbraw/zinc/06/71/10/314067110.db2.gz JWRDATOIQMWGKX-UHFFFAOYSA-N 2 1 312.498 3.161 20 0 DGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000543405376 314131404 /nfs/dbraw/zinc/13/14/04/314131404.db2.gz QBQQDKRVLXFQBF-YSDSKTICSA-N 2 1 316.489 3.300 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC(C)CC1 ZINC000543944623 314165500 /nfs/dbraw/zinc/16/55/00/314165500.db2.gz OOPOCLUOMRITFA-IVJQXSGXSA-N 2 1 318.505 3.375 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504795 314375027 /nfs/dbraw/zinc/37/50/27/314375027.db2.gz JBISKTJABIJZDU-LSTHTHJFSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1CNc1cc(C2CC2)cc[nH+]1 ZINC000558492832 314847039 /nfs/dbraw/zinc/84/70/39/314847039.db2.gz OWGJGYPPFAZESK-UHFFFAOYSA-N 2 1 305.385 3.460 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000562955642 315064789 /nfs/dbraw/zinc/06/47/89/315064789.db2.gz FGICFDXMSRHWBD-SCLBCKFNSA-N 2 1 315.461 3.130 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000563524247 315121776 /nfs/dbraw/zinc/12/17/76/315121776.db2.gz UAXGNFXIFTZANW-IBGZPJMESA-N 2 1 310.441 3.186 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000563777273 315137284 /nfs/dbraw/zinc/13/72/84/315137284.db2.gz GMUNMRUVUDHXHU-DLBZAZTESA-N 2 1 323.550 3.308 20 0 DGADMP CCC[N@H+](Cc1cc2ccccc2nc1OC)C1CC[NH2+]CC1 ZINC000564968720 315215557 /nfs/dbraw/zinc/21/55/57/315215557.db2.gz FOQWSKSYQPEDBG-UHFFFAOYSA-N 2 1 313.445 3.207 20 0 DGADMP CCC[N@@H+](Cc1cc2ccccc2nc1OC)C1CC[NH2+]CC1 ZINC000564968720 315215558 /nfs/dbraw/zinc/21/55/58/315215558.db2.gz FOQWSKSYQPEDBG-UHFFFAOYSA-N 2 1 313.445 3.207 20 0 DGADMP CCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[N@@H+](C)CC ZINC000565160732 315236146 /nfs/dbraw/zinc/23/61/46/315236146.db2.gz DJMALPJMBLHMBH-ZDUSSCGKSA-N 2 1 319.276 3.128 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncccc2O)CC1 ZINC000565507555 315266068 /nfs/dbraw/zinc/26/60/68/315266068.db2.gz CVKLGMVAYSOPHH-INIZCTEOSA-N 2 1 317.477 3.264 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000565782668 315287216 /nfs/dbraw/zinc/28/72/16/315287216.db2.gz IQGNFXYJACBCEU-HNNXBMFYSA-N 2 1 318.490 3.381 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000565782668 315287220 /nfs/dbraw/zinc/28/72/20/315287220.db2.gz IQGNFXYJACBCEU-HNNXBMFYSA-N 2 1 318.490 3.381 20 0 DGADMP COc1cccc([C@H]2C[C@H]([N@H+](C)CCCc3c[nH+]cn3C)C2)c1 ZINC000566017761 315305075 /nfs/dbraw/zinc/30/50/75/315305075.db2.gz KFXPHBPFVICYOT-SAABIXHNSA-N 2 1 313.445 3.239 20 0 DGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCc3c[nH+]cn3C)C2)c1 ZINC000566017761 315305077 /nfs/dbraw/zinc/30/50/77/315305077.db2.gz KFXPHBPFVICYOT-SAABIXHNSA-N 2 1 313.445 3.239 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000566414294 315343178 /nfs/dbraw/zinc/34/31/78/315343178.db2.gz NJXQLEOFSRSJCU-MRXNPFEDSA-N 2 1 315.486 3.467 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000566414294 315343180 /nfs/dbraw/zinc/34/31/80/315343180.db2.gz NJXQLEOFSRSJCU-MRXNPFEDSA-N 2 1 315.486 3.467 20 0 DGADMP C[C@@H]([N@H+](Cc1ccccc1)C[C@H](O)CN(C)C1CC1)C(C)(C)C ZINC000566648003 315364599 /nfs/dbraw/zinc/36/45/99/315364599.db2.gz ZBCYODZDIXVTNN-VQIMIIECSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648003 315364601 /nfs/dbraw/zinc/36/46/01/315364601.db2.gz ZBCYODZDIXVTNN-VQIMIIECSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648003 315364603 /nfs/dbraw/zinc/36/46/03/315364603.db2.gz ZBCYODZDIXVTNN-VQIMIIECSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000566648003 315364604 /nfs/dbraw/zinc/36/46/04/315364604.db2.gz ZBCYODZDIXVTNN-VQIMIIECSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@@H]([NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000566648003 315364605 /nfs/dbraw/zinc/36/46/05/315364605.db2.gz ZBCYODZDIXVTNN-VQIMIIECSA-N 2 1 318.505 3.378 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000566975738 315387529 /nfs/dbraw/zinc/38/75/29/315387529.db2.gz IWKHGWGRXQRIED-JYJNAYRXSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000566975738 315387531 /nfs/dbraw/zinc/38/75/31/315387531.db2.gz IWKHGWGRXQRIED-JYJNAYRXSA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000568985114 315550058 /nfs/dbraw/zinc/55/00/58/315550058.db2.gz ZXPQAFGGENKOJY-UZLBHIALSA-N 3 1 315.505 3.278 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251241 316045997 /nfs/dbraw/zinc/04/59/97/316045997.db2.gz AMBGHZOYYKVLFC-QILLFSRXSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251241 316046001 /nfs/dbraw/zinc/04/60/01/316046001.db2.gz AMBGHZOYYKVLFC-QILLFSRXSA-N 2 1 322.880 3.021 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(F)F)c1 ZINC000576074879 316091458 /nfs/dbraw/zinc/09/14/58/316091458.db2.gz ZNIPJZPJZUBESX-UHFFFAOYSA-N 2 1 300.393 3.452 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169365 316102734 /nfs/dbraw/zinc/10/27/34/316102734.db2.gz HHKXIQDVWDYBSA-LPHOPBHVSA-N 2 1 304.478 3.162 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169365 316102737 /nfs/dbraw/zinc/10/27/37/316102737.db2.gz HHKXIQDVWDYBSA-LPHOPBHVSA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169365 316102741 /nfs/dbraw/zinc/10/27/41/316102741.db2.gz HHKXIQDVWDYBSA-LPHOPBHVSA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169365 316102743 /nfs/dbraw/zinc/10/27/43/316102743.db2.gz HHKXIQDVWDYBSA-LPHOPBHVSA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000576486068 316135662 /nfs/dbraw/zinc/13/56/62/316135662.db2.gz ALFNETZZUZFPRT-ROUUACIJSA-N 2 1 302.462 3.306 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802175 316168979 /nfs/dbraw/zinc/16/89/79/316168979.db2.gz JEHGLUHAPNLCRP-UZLBHIALSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802175 316168982 /nfs/dbraw/zinc/16/89/82/316168982.db2.gz JEHGLUHAPNLCRP-UZLBHIALSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802175 316168984 /nfs/dbraw/zinc/16/89/84/316168984.db2.gz JEHGLUHAPNLCRP-UZLBHIALSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802175 316168987 /nfs/dbraw/zinc/16/89/87/316168987.db2.gz JEHGLUHAPNLCRP-UZLBHIALSA-N 2 1 311.473 3.019 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCOC2)CC1)CC(C)C ZINC000576984676 316190192 /nfs/dbraw/zinc/19/01/92/316190192.db2.gz OXXSGKHCTJGPRM-LJQANCHMSA-N 2 1 310.526 3.493 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000577330947 316224509 /nfs/dbraw/zinc/22/45/09/316224509.db2.gz KORVECLYAGEBJT-MXYRBXQYSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000577330947 316224511 /nfs/dbraw/zinc/22/45/11/316224511.db2.gz KORVECLYAGEBJT-MXYRBXQYSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000577330947 316224512 /nfs/dbraw/zinc/22/45/12/316224512.db2.gz KORVECLYAGEBJT-MXYRBXQYSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000577330947 316224514 /nfs/dbraw/zinc/22/45/14/316224514.db2.gz KORVECLYAGEBJT-MXYRBXQYSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000577330947 316224516 /nfs/dbraw/zinc/22/45/16/316224516.db2.gz KORVECLYAGEBJT-MXYRBXQYSA-N 2 1 322.399 3.185 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1nccn1C ZINC000182414862 323297574 /nfs/dbraw/zinc/29/75/74/323297574.db2.gz QSEOXDOKNQVQMF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1nccn1C ZINC000182414862 323297576 /nfs/dbraw/zinc/29/75/76/323297576.db2.gz QSEOXDOKNQVQMF-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)c2ccccc21 ZINC000580301834 323981845 /nfs/dbraw/zinc/98/18/45/323981845.db2.gz QSFZYHLBLXGEQL-WOJBJXKFSA-N 2 1 318.424 3.166 20 0 DGADMP CC1CCC(O)(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000580947892 324056359 /nfs/dbraw/zinc/05/63/59/324056359.db2.gz SBGGXRTYLIBSTH-SYYJFZTOSA-N 2 1 316.489 3.039 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000581041700 324066811 /nfs/dbraw/zinc/06/68/11/324066811.db2.gz YPRDBOGCKPJIOC-HZMVEIRTSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000581041700 324066814 /nfs/dbraw/zinc/06/68/14/324066814.db2.gz YPRDBOGCKPJIOC-HZMVEIRTSA-N 2 1 312.498 3.064 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000582601907 324250972 /nfs/dbraw/zinc/25/09/72/324250972.db2.gz ZUESBRJRMHJGKD-NLPFYKDJSA-N 2 1 316.489 3.005 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000582601907 324250974 /nfs/dbraw/zinc/25/09/74/324250974.db2.gz ZUESBRJRMHJGKD-NLPFYKDJSA-N 2 1 316.489 3.005 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c2ccccn21 ZINC000582670658 324260188 /nfs/dbraw/zinc/26/01/88/324260188.db2.gz ICOPOLGNIKEAAV-HOTGVXAUSA-N 2 1 312.461 3.126 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c2ccccn21 ZINC000582670658 324260192 /nfs/dbraw/zinc/26/01/92/324260192.db2.gz ICOPOLGNIKEAAV-HOTGVXAUSA-N 2 1 312.461 3.126 20 0 DGADMP C[C@@H]([N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000584584023 337368666 /nfs/dbraw/zinc/36/86/66/337368666.db2.gz PHTSUXAOCMCSRP-MRXNPFEDSA-N 2 1 304.478 3.385 20 0 DGADMP C[C@@H]([N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000584584023 337368667 /nfs/dbraw/zinc/36/86/67/337368667.db2.gz PHTSUXAOCMCSRP-MRXNPFEDSA-N 2 1 304.478 3.385 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000395122291 1176784847 /nfs/dbraw/zinc/78/48/47/1176784847.db2.gz LMENJHMURJAYEV-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000395122291 1176784855 /nfs/dbraw/zinc/78/48/55/1176784855.db2.gz LMENJHMURJAYEV-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000395111660 1176785929 /nfs/dbraw/zinc/78/59/29/1176785929.db2.gz CIFBMIBRFYNGBF-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000395111660 1176785932 /nfs/dbraw/zinc/78/59/32/1176785932.db2.gz CIFBMIBRFYNGBF-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294935856 533729634 /nfs/dbraw/zinc/72/96/34/533729634.db2.gz BWZKWAMLPZKWIU-NUJGCVRESA-N 2 1 304.478 3.036 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1F ZINC000292797690 533744367 /nfs/dbraw/zinc/74/43/67/533744367.db2.gz NDGLMQVPGDATBR-BEFAXECRSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292797690 533744374 /nfs/dbraw/zinc/74/43/74/533744374.db2.gz NDGLMQVPGDATBR-BEFAXECRSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000292797690 533744375 /nfs/dbraw/zinc/74/43/75/533744375.db2.gz NDGLMQVPGDATBR-BEFAXECRSA-N 2 1 320.452 3.041 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000435447766 533776451 /nfs/dbraw/zinc/77/64/51/533776451.db2.gz REEPFHJRMPDHSR-HOCLYGCPSA-N 2 1 308.441 3.087 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000432786095 533777338 /nfs/dbraw/zinc/77/73/38/533777338.db2.gz NRZUCPBKYSKHOC-DOTOQJQBSA-N 2 1 322.468 3.429 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000442782396 533843999 /nfs/dbraw/zinc/84/39/99/533843999.db2.gz RCMREFQRIDARRU-CHWSQXEVSA-N 2 1 316.367 3.143 20 0 DGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC(C)C ZINC000415037106 533894229 /nfs/dbraw/zinc/89/42/29/533894229.db2.gz GDTDPPKMKSWWDL-INIZCTEOSA-N 2 1 306.450 3.090 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000434768681 534145558 /nfs/dbraw/zinc/14/55/58/534145558.db2.gz ZONZQFWOTAEZEM-APWZRJJASA-N 2 1 316.489 3.433 20 0 DGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)nc2c1 ZINC000297604653 534360879 /nfs/dbraw/zinc/36/08/79/534360879.db2.gz ZWKZVVOJUVBZEY-MRXNPFEDSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000297604653 534360886 /nfs/dbraw/zinc/36/08/86/534360886.db2.gz ZWKZVVOJUVBZEY-MRXNPFEDSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000297604653 534360893 /nfs/dbraw/zinc/36/08/93/534360893.db2.gz ZWKZVVOJUVBZEY-MRXNPFEDSA-N 2 1 312.461 3.050 20 0 DGADMP Fc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441447317 534481966 /nfs/dbraw/zinc/48/19/66/534481966.db2.gz MSIXFMZKAKBVLS-QGZVFWFLSA-N 2 1 320.452 3.402 20 0 DGADMP Fc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441447316 534482008 /nfs/dbraw/zinc/48/20/08/534482008.db2.gz MSIXFMZKAKBVLS-KRWDZBQOSA-N 2 1 320.452 3.402 20 0 DGADMP c1ccc(COCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415090848 534489061 /nfs/dbraw/zinc/48/90/61/534489061.db2.gz PIPDWUDPRFRBCJ-VQTJNVASSA-N 2 1 310.441 3.286 20 0 DGADMP c1csc(C[N@H+](CC2CCCC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435424359 534520099 /nfs/dbraw/zinc/52/00/99/534520099.db2.gz VFBDECOFNDGIHX-HNNXBMFYSA-N 2 1 305.491 3.277 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000158124064 521708106 /nfs/dbraw/zinc/70/81/06/521708106.db2.gz SHQCENRJJPRZPC-PVAVHDDUSA-N 2 1 308.466 3.376 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000158124064 521708108 /nfs/dbraw/zinc/70/81/08/521708108.db2.gz SHQCENRJJPRZPC-PVAVHDDUSA-N 2 1 308.466 3.376 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442764729 534643800 /nfs/dbraw/zinc/64/38/00/534643800.db2.gz DFWZVJHRGMCUNF-PMPSAXMXSA-N 2 1 317.477 3.115 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442764729 534643802 /nfs/dbraw/zinc/64/38/02/534643802.db2.gz DFWZVJHRGMCUNF-PMPSAXMXSA-N 2 1 317.477 3.115 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cnn(C)c1 ZINC000157514162 522812976 /nfs/dbraw/zinc/81/29/76/522812976.db2.gz JUADXGIFKUOURZ-GOSISDBHSA-N 2 1 304.482 3.258 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430950179 534692336 /nfs/dbraw/zinc/69/23/36/534692336.db2.gz GMKVYQJNQMPBSJ-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@@H+]1C ZINC000156100969 524813907 /nfs/dbraw/zinc/81/39/07/524813907.db2.gz SWMCHSOBBPUDEN-WMZOPIPTSA-N 2 1 316.493 3.034 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@H+]1C ZINC000156100969 524813920 /nfs/dbraw/zinc/81/39/20/524813920.db2.gz SWMCHSOBBPUDEN-WMZOPIPTSA-N 2 1 316.493 3.034 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)nc(C)[nH+]1 ZINC000189146116 525058787 /nfs/dbraw/zinc/05/87/87/525058787.db2.gz OORLJRMFRLUKQW-QGZVFWFLSA-N 2 1 314.477 3.375 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000183125528 526471575 /nfs/dbraw/zinc/47/15/75/526471575.db2.gz OAVDYFDGAFKHSG-HAGHYFMRSA-N 2 1 314.473 3.056 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000415080723 527059882 /nfs/dbraw/zinc/05/98/82/527059882.db2.gz JNISAAKDBYBNBA-RHSMWYFYSA-N 2 1 303.450 3.045 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000163274658 527394355 /nfs/dbraw/zinc/39/43/55/527394355.db2.gz IDLCXMJTQWRTMG-IRXDYDNUSA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000163274658 527394361 /nfs/dbraw/zinc/39/43/61/527394361.db2.gz IDLCXMJTQWRTMG-IRXDYDNUSA-N 2 1 317.433 3.153 20 0 DGADMP C(CC1CC[NH+](CCCN2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000162024491 527475978 /nfs/dbraw/zinc/47/59/78/527475978.db2.gz QPUUOJFOEOSENL-UHFFFAOYSA-N 2 1 321.553 3.450 20 0 DGADMP C(CC1CCN(CCC[NH+]2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000162024491 527475982 /nfs/dbraw/zinc/47/59/82/527475982.db2.gz QPUUOJFOEOSENL-UHFFFAOYSA-N 2 1 321.553 3.450 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433311739 527846688 /nfs/dbraw/zinc/84/66/88/527846688.db2.gz ITUFGIQVFRGNBH-UHFFFAOYSA-N 2 1 324.428 3.411 20 0 DGADMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000444775251 527916885 /nfs/dbraw/zinc/91/68/85/527916885.db2.gz MKFGMKXJIDOFNY-SFHVURJKSA-N 2 1 321.465 3.170 20 0 DGADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000444775251 527916890 /nfs/dbraw/zinc/91/68/90/527916890.db2.gz MKFGMKXJIDOFNY-SFHVURJKSA-N 2 1 321.465 3.170 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC000434473433 528095615 /nfs/dbraw/zinc/09/56/15/528095615.db2.gz GACLSYGRYRPWCN-UHFFFAOYSA-N 2 1 321.513 3.193 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874875 528162916 /nfs/dbraw/zinc/16/29/16/528162916.db2.gz MUSOTCABBLAZGA-LJQANCHMSA-N 2 1 317.521 3.013 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435385054 528432589 /nfs/dbraw/zinc/43/25/89/528432589.db2.gz PJCVKIZEUUNKKU-MRXNPFEDSA-N 2 1 306.450 3.058 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC ZINC000442917801 528623990 /nfs/dbraw/zinc/62/39/90/528623990.db2.gz BKADGGZFPYNVJK-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC ZINC000442918107 528653555 /nfs/dbraw/zinc/65/35/55/528653555.db2.gz FUVKSLMSOVDNNS-MRXNPFEDSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415132326 528671723 /nfs/dbraw/zinc/67/17/23/528671723.db2.gz TZPQMUBGYKZMLA-WBVHZDCISA-N 2 1 320.477 3.291 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1ccncc1 ZINC000429261103 528862696 /nfs/dbraw/zinc/86/26/96/528862696.db2.gz PGDJIAIUFLOUJU-UHFFFAOYSA-N 2 1 300.450 3.185 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1ccncc1 ZINC000429261103 528862702 /nfs/dbraw/zinc/86/27/02/528862702.db2.gz PGDJIAIUFLOUJU-UHFFFAOYSA-N 2 1 300.450 3.185 20 0 DGADMP CCC[C@@H](C)C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427886 528876409 /nfs/dbraw/zinc/87/64/09/528876409.db2.gz OYBCIXDJRLORQS-IAGOWNOFSA-N 2 1 318.509 3.283 20 0 DGADMP CC[N@H+](Cc1csc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435386311 528881315 /nfs/dbraw/zinc/88/13/15/528881315.db2.gz UGKAZKCNGUUUKP-LBPRGKRZSA-N 2 1 317.296 3.475 20 0 DGADMP CC[N@@H+](Cc1csc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435386311 528881319 /nfs/dbraw/zinc/88/13/19/528881319.db2.gz UGKAZKCNGUUUKP-LBPRGKRZSA-N 2 1 317.296 3.475 20 0 DGADMP CCn1nc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000435370191 528891117 /nfs/dbraw/zinc/89/11/17/528891117.db2.gz HRSFSSUFZGRPSM-HNNXBMFYSA-N 2 1 300.450 3.020 20 0 DGADMP CCn1nc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000435370191 528891123 /nfs/dbraw/zinc/89/11/23/528891123.db2.gz HRSFSSUFZGRPSM-HNNXBMFYSA-N 2 1 300.450 3.020 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874873 528962353 /nfs/dbraw/zinc/96/23/53/528962353.db2.gz MUSOTCABBLAZGA-IBGZPJMESA-N 2 1 317.521 3.013 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449105463 535526933 /nfs/dbraw/zinc/52/69/33/535526933.db2.gz IBCYPHQWTHZLOJ-KRWDZBQOSA-N 2 1 318.461 3.060 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1OC ZINC000493602323 535594174 /nfs/dbraw/zinc/59/41/74/535594174.db2.gz MYLPJTJFISSDKQ-IAGOWNOFSA-N 2 1 320.477 3.391 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449650317 536011160 /nfs/dbraw/zinc/01/11/60/536011160.db2.gz UBKXLEZOYXAKPO-YSHGAJCASA-N 2 1 304.478 3.036 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000449625045 536551801 /nfs/dbraw/zinc/55/18/01/536551801.db2.gz AOPMVEVMTYAYGX-GJJHYRHESA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000449625045 536551811 /nfs/dbraw/zinc/55/18/11/536551811.db2.gz AOPMVEVMTYAYGX-GJJHYRHESA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459461040 536567902 /nfs/dbraw/zinc/56/79/02/536567902.db2.gz JNJXXZANWJHAGS-SCLBCKFNSA-N 2 1 306.425 3.118 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560134 536906116 /nfs/dbraw/zinc/90/61/16/536906116.db2.gz GPYRSXDRYSFWGW-ODLRDIKDSA-N 2 1 302.462 3.402 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000088670592 545811984 /nfs/dbraw/zinc/81/19/84/545811984.db2.gz YGENCMXJUXIBIZ-PXNSSMCTSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1C ZINC000090218839 545824380 /nfs/dbraw/zinc/82/43/80/545824380.db2.gz UUGOLORNKZOPRL-KZNAEPCWSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000090966435 545832935 /nfs/dbraw/zinc/83/29/35/545832935.db2.gz QYJBEJMUBSTGBY-IRXDYDNUSA-N 2 1 316.489 3.239 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000152002478 545998901 /nfs/dbraw/zinc/99/89/01/545998901.db2.gz GQCCQIFTJYXKJY-HUUCEWRRSA-N 2 1 310.388 3.313 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000152002478 545998904 /nfs/dbraw/zinc/99/89/04/545998904.db2.gz GQCCQIFTJYXKJY-HUUCEWRRSA-N 2 1 310.388 3.313 20 0 DGADMP CCc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000165947542 546093567 /nfs/dbraw/zinc/09/35/67/546093567.db2.gz CZKXMOVZDLHZHB-ZCNNSNEGSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000165947542 546093572 /nfs/dbraw/zinc/09/35/72/546093572.db2.gz CZKXMOVZDLHZHB-ZCNNSNEGSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000165947542 546093578 /nfs/dbraw/zinc/09/35/78/546093578.db2.gz CZKXMOVZDLHZHB-ZCNNSNEGSA-N 2 1 315.505 3.068 20 0 DGADMP C[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166756783 546095938 /nfs/dbraw/zinc/09/59/38/546095938.db2.gz BBNGASRUZVIMFT-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000166756783 546095940 /nfs/dbraw/zinc/09/59/40/546095940.db2.gz BBNGASRUZVIMFT-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000166756783 546095943 /nfs/dbraw/zinc/09/59/43/546095943.db2.gz BBNGASRUZVIMFT-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166756783 546095948 /nfs/dbraw/zinc/09/59/48/546095948.db2.gz BBNGASRUZVIMFT-YZGWKJHDSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166756783 546095951 /nfs/dbraw/zinc/09/59/51/546095951.db2.gz BBNGASRUZVIMFT-YZGWKJHDSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000166756783 546095956 /nfs/dbraw/zinc/09/59/56/546095956.db2.gz BBNGASRUZVIMFT-YZGWKJHDSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000166756783 546095961 /nfs/dbraw/zinc/09/59/61/546095961.db2.gz BBNGASRUZVIMFT-YZGWKJHDSA-N 3 1 315.505 3.113 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000166850509 546096885 /nfs/dbraw/zinc/09/68/85/546096885.db2.gz ILFQJSMULJZQRP-RBUKOAKNSA-N 2 1 324.472 3.206 20 0 DGADMP C[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)CC1CCCCC1 ZINC000185222018 546186590 /nfs/dbraw/zinc/18/65/90/546186590.db2.gz MZGGCYPXOSSMQN-GOSISDBHSA-N 2 1 309.542 3.210 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000280245512 546380487 /nfs/dbraw/zinc/38/04/87/546380487.db2.gz WESLYLKCRUQKJG-QGZVFWFLSA-N 2 1 318.461 3.154 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280293849 546382183 /nfs/dbraw/zinc/38/21/83/546382183.db2.gz ZKCDGTFSGNMZKO-RHSMWYFYSA-N 2 1 318.461 3.013 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000281314591 546386355 /nfs/dbraw/zinc/38/63/55/546386355.db2.gz SDUDDCFYDKANHE-INIZCTEOSA-N 2 1 300.450 3.253 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000281314591 546386356 /nfs/dbraw/zinc/38/63/56/546386356.db2.gz SDUDDCFYDKANHE-INIZCTEOSA-N 2 1 300.450 3.253 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500755 546397024 /nfs/dbraw/zinc/39/70/24/546397024.db2.gz CPJCBTCVECDVRK-HZPDHXFCSA-N 2 1 312.461 3.492 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000285500755 546397027 /nfs/dbraw/zinc/39/70/27/546397027.db2.gz CPJCBTCVECDVRK-HZPDHXFCSA-N 2 1 312.461 3.492 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069130 546533767 /nfs/dbraw/zinc/53/37/67/546533767.db2.gz WLJKARLZFRRYIF-MSOLQXFVSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069130 546533775 /nfs/dbraw/zinc/53/37/75/546533775.db2.gz WLJKARLZFRRYIF-MSOLQXFVSA-N 2 1 302.462 3.438 20 0 DGADMP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339072159 546533901 /nfs/dbraw/zinc/53/39/01/546533901.db2.gz UHFAIFXKUJZPTI-AOIWGVFYSA-N 2 1 317.452 3.011 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000342735955 546558488 /nfs/dbraw/zinc/55/84/88/546558488.db2.gz LXHSDRDTLSDHGC-MRXNPFEDSA-N 2 1 312.461 3.397 20 0 DGADMP c1ccc(COCCC2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000347218902 546583285 /nfs/dbraw/zinc/58/32/85/546583285.db2.gz BWMUOGFNCVXJFN-OALUTQOASA-N 2 1 314.473 3.342 20 0 DGADMP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000386521544 546745902 /nfs/dbraw/zinc/74/59/02/546745902.db2.gz UYROZBCHXSMVEW-MAUKXSAKSA-N 2 1 304.503 3.177 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929181 546789969 /nfs/dbraw/zinc/78/99/69/546789969.db2.gz RDRZDFRDJLUSFU-QZTJIDSGSA-N 2 1 303.494 3.004 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929181 546789976 /nfs/dbraw/zinc/78/99/76/546789976.db2.gz RDRZDFRDJLUSFU-QZTJIDSGSA-N 3 1 303.494 3.004 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929181 546789981 /nfs/dbraw/zinc/78/99/81/546789981.db2.gz RDRZDFRDJLUSFU-QZTJIDSGSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnn1-c1ccccc1 ZINC000453415177 546860990 /nfs/dbraw/zinc/86/09/90/546860990.db2.gz XETAPGQLZXMSHI-MRXNPFEDSA-N 2 1 312.461 3.397 20 0 DGADMP CN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000453420108 546861521 /nfs/dbraw/zinc/86/15/21/546861521.db2.gz ZDDMMTZQQPXXEN-UYAOXDASSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420108 546861524 /nfs/dbraw/zinc/86/15/24/546861524.db2.gz ZDDMMTZQQPXXEN-UYAOXDASSA-N 3 1 315.505 3.286 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420108 546861529 /nfs/dbraw/zinc/86/15/29/546861529.db2.gz ZDDMMTZQQPXXEN-UYAOXDASSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420108 546861531 /nfs/dbraw/zinc/86/15/31/546861531.db2.gz ZDDMMTZQQPXXEN-UYAOXDASSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453420108 546861534 /nfs/dbraw/zinc/86/15/34/546861534.db2.gz ZDDMMTZQQPXXEN-UYAOXDASSA-N 3 1 315.505 3.286 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000521054642 546964745 /nfs/dbraw/zinc/96/47/45/546964745.db2.gz HAYOQJBJQKQOME-WNHJNPCNSA-N 2 1 304.478 3.209 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000521054642 546964751 /nfs/dbraw/zinc/96/47/51/546964751.db2.gz HAYOQJBJQKQOME-WNHJNPCNSA-N 2 1 304.478 3.209 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000559857032 547001021 /nfs/dbraw/zinc/00/10/21/547001021.db2.gz NLOZUFKVESCAQV-UFYCRDLUSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559857032 547001023 /nfs/dbraw/zinc/00/10/23/547001023.db2.gz NLOZUFKVESCAQV-UFYCRDLUSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559857032 547001025 /nfs/dbraw/zinc/00/10/25/547001025.db2.gz NLOZUFKVESCAQV-UFYCRDLUSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000559853671 547001095 /nfs/dbraw/zinc/00/10/95/547001095.db2.gz AZVZFLKGLJIGTF-HKBOAZHASA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000559853671 547001097 /nfs/dbraw/zinc/00/10/97/547001097.db2.gz AZVZFLKGLJIGTF-HKBOAZHASA-N 2 1 324.468 3.015 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667508062 547206751 /nfs/dbraw/zinc/20/67/51/547206751.db2.gz RPVMXVCRJXTIAO-QGZVFWFLSA-N 2 1 304.397 3.257 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667508062 547206756 /nfs/dbraw/zinc/20/67/56/547206756.db2.gz RPVMXVCRJXTIAO-QGZVFWFLSA-N 2 1 304.397 3.257 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667619334 547244730 /nfs/dbraw/zinc/24/47/30/547244730.db2.gz ZZGQDBINXDDEMY-OAHLLOKOSA-N 2 1 322.412 3.036 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000667681876 547272921 /nfs/dbraw/zinc/27/29/21/547272921.db2.gz UJCOVDZPTZJINY-OAHLLOKOSA-N 2 1 308.491 3.058 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000667681876 547272924 /nfs/dbraw/zinc/27/29/24/547272924.db2.gz UJCOVDZPTZJINY-OAHLLOKOSA-N 2 1 308.491 3.058 20 0 DGADMP COCc1csc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000667681876 547272925 /nfs/dbraw/zinc/27/29/25/547272925.db2.gz UJCOVDZPTZJINY-OAHLLOKOSA-N 2 1 308.491 3.058 20 0 DGADMP COCc1csc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000667681876 547272928 /nfs/dbraw/zinc/27/29/28/547272928.db2.gz UJCOVDZPTZJINY-OAHLLOKOSA-N 2 1 308.491 3.058 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@H]1c1cccs1 ZINC000667872633 547325637 /nfs/dbraw/zinc/32/56/37/547325637.db2.gz FYTANAWPHVKRLC-CVYDXHPNSA-N 2 1 320.502 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@H]1c1cccs1 ZINC000667872633 547325639 /nfs/dbraw/zinc/32/56/39/547325639.db2.gz FYTANAWPHVKRLC-CVYDXHPNSA-N 2 1 320.502 3.288 20 0 DGADMP C[C@@H]1COc2ccccc2CN1Cc1ccnn1-c1ccncc1 ZINC000667965760 547350116 /nfs/dbraw/zinc/35/01/16/547350116.db2.gz QINANZIZGXREEK-OAHLLOKOSA-N 2 1 320.396 3.050 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)CC1 ZINC000668169129 547401742 /nfs/dbraw/zinc/40/17/42/547401742.db2.gz JNBGAWLCILKZAM-ZDUSSCGKSA-N 2 1 312.379 3.268 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000668677653 547506918 /nfs/dbraw/zinc/50/69/18/547506918.db2.gz UPWKRYBPNWMNMY-IEBWSBKVSA-N 2 1 313.489 3.060 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740760 547526021 /nfs/dbraw/zinc/52/60/21/547526021.db2.gz XFPJXOZGVQQKFL-IEBWSBKVSA-N 2 1 308.510 3.290 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000668786186 547540894 /nfs/dbraw/zinc/54/08/94/547540894.db2.gz WTAFCTYPPNNCRL-IBGZPJMESA-N 2 1 304.478 3.154 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819856 547548894 /nfs/dbraw/zinc/54/88/94/547548894.db2.gz PZMXIDOXYJMTLR-QAPCUYQASA-N 2 1 302.462 3.035 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000670268877 547741865 /nfs/dbraw/zinc/74/18/65/547741865.db2.gz GMSQVTWNVVODBK-VQIMIIECSA-N 2 1 318.505 3.415 20 0 DGADMP CCOC1CC(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671686261 547809374 /nfs/dbraw/zinc/80/93/74/547809374.db2.gz FVCBRZHKIIHFQO-VHBXLISGSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741860 547822193 /nfs/dbraw/zinc/82/21/93/547822193.db2.gz DOWJNMNVPWFBDH-GFCCVEGCSA-N 2 1 315.417 3.058 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671740462 547822505 /nfs/dbraw/zinc/82/25/05/547822505.db2.gz FLYIAENNLNDXJH-CYBMUJFWSA-N 2 1 317.433 3.304 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760434 547829537 /nfs/dbraw/zinc/82/95/37/547829537.db2.gz IJOAPQQZOOZELR-UONOGXRCSA-N 2 1 317.433 3.449 20 0 DGADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760711 547829709 /nfs/dbraw/zinc/82/97/09/547829709.db2.gz PEBMWQLPTUDISE-CYBMUJFWSA-N 2 1 317.433 3.306 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000675497768 548226392 /nfs/dbraw/zinc/22/63/92/548226392.db2.gz PRHOWAVENAGICN-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000675497768 548226395 /nfs/dbraw/zinc/22/63/95/548226395.db2.gz PRHOWAVENAGICN-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000675497768 548226398 /nfs/dbraw/zinc/22/63/98/548226398.db2.gz PRHOWAVENAGICN-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000675497766 548226760 /nfs/dbraw/zinc/22/67/60/548226760.db2.gz PRHOWAVENAGICN-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000675497766 548226765 /nfs/dbraw/zinc/22/67/65/548226765.db2.gz PRHOWAVENAGICN-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000675497766 548226767 /nfs/dbraw/zinc/22/67/67/548226767.db2.gz PRHOWAVENAGICN-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237968 548473925 /nfs/dbraw/zinc/47/39/25/548473925.db2.gz SHHMBDOABXGHHK-OKZBNKHCSA-N 2 1 302.462 3.287 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000678045379 548599675 /nfs/dbraw/zinc/59/96/75/548599675.db2.gz GTUJVVDYJGHUKV-KRWDZBQOSA-N 2 1 319.493 3.213 20 0 DGADMP COCC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C)cc1C ZINC000678075083 548607809 /nfs/dbraw/zinc/60/78/09/548607809.db2.gz OZOVQEPIBQVQIE-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C)cc1C ZINC000678075083 548607813 /nfs/dbraw/zinc/60/78/13/548607813.db2.gz OZOVQEPIBQVQIE-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C)cc1C ZINC000678075083 548607817 /nfs/dbraw/zinc/60/78/17/548607817.db2.gz OZOVQEPIBQVQIE-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C)cc1C ZINC000678075083 548607820 /nfs/dbraw/zinc/60/78/20/548607820.db2.gz OZOVQEPIBQVQIE-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000678285242 548670193 /nfs/dbraw/zinc/67/01/93/548670193.db2.gz QKRJCFLLQMCNFV-LJQANCHMSA-N 2 1 314.473 3.393 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000678837361 548775960 /nfs/dbraw/zinc/77/59/60/548775960.db2.gz WCZNYMKVPURWFT-IBGZPJMESA-N 2 1 318.505 3.397 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000678956872 548800481 /nfs/dbraw/zinc/80/04/81/548800481.db2.gz OPOUWHAYSFJJCG-DNVCBOLYSA-N 2 1 320.452 3.162 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679136044 548836190 /nfs/dbraw/zinc/83/61/90/548836190.db2.gz HYVGEFRNZMLMKC-SJORKVTESA-N 2 1 319.493 3.302 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395967 548893350 /nfs/dbraw/zinc/89/33/50/548893350.db2.gz KSKSDQXIJVKJJS-AEFFLSMTSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(O)cc2)C1 ZINC000679395967 548893352 /nfs/dbraw/zinc/89/33/52/548893352.db2.gz KSKSDQXIJVKJJS-AEFFLSMTSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000679395967 548893356 /nfs/dbraw/zinc/89/33/56/548893356.db2.gz KSKSDQXIJVKJJS-AEFFLSMTSA-N 2 1 302.462 3.479 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000679395967 548893358 /nfs/dbraw/zinc/89/33/58/548893358.db2.gz KSKSDQXIJVKJJS-AEFFLSMTSA-N 2 1 302.462 3.479 20 0 DGADMP COc1ccc(Oc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000680328155 549028665 /nfs/dbraw/zinc/02/86/65/549028665.db2.gz CVHQZHQGTQLZIE-IRXDYDNUSA-N 2 1 324.424 3.139 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000680333567 549031018 /nfs/dbraw/zinc/03/10/18/549031018.db2.gz BPMUASMLJCWXNC-KRWDZBQOSA-N 2 1 302.462 3.415 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681392010 549201754 /nfs/dbraw/zinc/20/17/54/549201754.db2.gz NFTZQLKKUWBQRS-AFYVEPGGSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681412092 549205531 /nfs/dbraw/zinc/20/55/31/549205531.db2.gz DWLPOZDQAGUPPP-GUDVDZBRSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681412092 549205534 /nfs/dbraw/zinc/20/55/34/549205534.db2.gz DWLPOZDQAGUPPP-GUDVDZBRSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681412093 549205676 /nfs/dbraw/zinc/20/56/76/549205676.db2.gz DWLPOZDQAGUPPP-QRVBRYPASA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681412093 549205680 /nfs/dbraw/zinc/20/56/80/549205680.db2.gz DWLPOZDQAGUPPP-QRVBRYPASA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)o1 ZINC000683691204 549519732 /nfs/dbraw/zinc/51/97/32/549519732.db2.gz XKEZFMJRFDTCKS-GOEBONIOSA-N 2 1 306.450 3.048 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021680 549568421 /nfs/dbraw/zinc/56/84/21/549568421.db2.gz RPQBOSFLYXJLEQ-SFHVURJKSA-N 2 1 315.461 3.101 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]CCC2CCCCCC2)CC1 ZINC000685421211 549757198 /nfs/dbraw/zinc/75/71/98/549757198.db2.gz XMPORXHYNZDFCR-UHFFFAOYSA-N 2 1 309.542 3.354 20 0 DGADMP C[C@@H]1C[NH+](C/C=C/C[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000685590609 549779530 /nfs/dbraw/zinc/77/95/30/549779530.db2.gz IMXSCUASJODGPB-ISANGGDFSA-N 2 1 322.390 3.497 20 0 DGADMP C[C@@H]1C[N@H+](C/C=C/C[NH+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000685590609 549779533 /nfs/dbraw/zinc/77/95/33/549779533.db2.gz IMXSCUASJODGPB-ISANGGDFSA-N 2 1 322.390 3.497 20 0 DGADMP C[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000685590609 549779536 /nfs/dbraw/zinc/77/95/36/549779536.db2.gz IMXSCUASJODGPB-ISANGGDFSA-N 2 1 322.390 3.497 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000685658035 549786648 /nfs/dbraw/zinc/78/66/48/549786648.db2.gz XZDQDWLVOSPMQL-HKUYNNGSSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685658035 549786650 /nfs/dbraw/zinc/78/66/50/549786650.db2.gz XZDQDWLVOSPMQL-HKUYNNGSSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685658035 549786651 /nfs/dbraw/zinc/78/66/51/549786651.db2.gz XZDQDWLVOSPMQL-HKUYNNGSSA-N 2 1 317.521 3.358 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000685850037 549799357 /nfs/dbraw/zinc/79/93/57/549799357.db2.gz MWSNSZDDVPSWCC-IBGZPJMESA-N 2 1 314.473 3.392 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738881935 574885648 /nfs/dbraw/zinc/88/56/48/574885648.db2.gz LKXWOCUXZXYSDP-HOJAQTOUSA-N 2 1 316.489 3.225 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738881935 574885649 /nfs/dbraw/zinc/88/56/49/574885649.db2.gz LKXWOCUXZXYSDP-HOJAQTOUSA-N 2 1 316.489 3.225 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746494504 575455319 /nfs/dbraw/zinc/45/53/19/575455319.db2.gz IIWYCRMZCTWIOH-QUCCMNQESA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000746494504 575455321 /nfs/dbraw/zinc/45/53/21/575455321.db2.gz IIWYCRMZCTWIOH-QUCCMNQESA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494504 575455324 /nfs/dbraw/zinc/45/53/24/575455324.db2.gz IIWYCRMZCTWIOH-QUCCMNQESA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494504 575455329 /nfs/dbraw/zinc/45/53/29/575455329.db2.gz IIWYCRMZCTWIOH-QUCCMNQESA-N 2 1 316.489 3.001 20 0 DGADMP CCc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393876628 575935332 /nfs/dbraw/zinc/93/53/32/575935332.db2.gz GQEDMFWQNCQJKO-GOSISDBHSA-N 2 1 324.472 3.093 20 0 DGADMP CCc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393876628 575935335 /nfs/dbraw/zinc/93/53/35/575935335.db2.gz GQEDMFWQNCQJKO-GOSISDBHSA-N 2 1 324.472 3.093 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc2c1CC[NH2+]C2 ZINC000852744403 620644919 /nfs/dbraw/zinc/64/49/19/620644919.db2.gz BODMDINOKKUYEQ-UHFFFAOYSA-N 2 1 301.821 3.013 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000916835380 620646734 /nfs/dbraw/zinc/64/67/34/620646734.db2.gz XZFOAPYQNGBELG-QGZVFWFLSA-N 2 1 301.478 3.108 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000917014648 620652360 /nfs/dbraw/zinc/65/23/60/620652360.db2.gz ATVNAEQVCZTWHQ-OALUTQOASA-N 2 1 302.462 3.060 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000917014648 620652363 /nfs/dbraw/zinc/65/23/63/620652363.db2.gz ATVNAEQVCZTWHQ-OALUTQOASA-N 2 1 302.462 3.060 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000154404393 620669915 /nfs/dbraw/zinc/66/99/15/620669915.db2.gz RBTAYAPUTQGHPE-QGZVFWFLSA-N 2 1 308.491 3.168 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000111240838 620688939 /nfs/dbraw/zinc/68/89/39/620688939.db2.gz ZKFQDVNTKWOELI-KRWDZBQOSA-N 2 1 310.869 3.180 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000111240838 620688940 /nfs/dbraw/zinc/68/89/40/620688940.db2.gz ZKFQDVNTKWOELI-KRWDZBQOSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892033491 617948329 /nfs/dbraw/zinc/94/83/29/617948329.db2.gz GDWCTYRHRBIMJI-KRWDZBQOSA-N 2 1 311.429 3.257 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892033491 617948332 /nfs/dbraw/zinc/94/83/32/617948332.db2.gz GDWCTYRHRBIMJI-KRWDZBQOSA-N 2 1 311.429 3.257 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(CC3CCC3)c2)CC1 ZINC000891746162 617888733 /nfs/dbraw/zinc/88/87/33/617888733.db2.gz QNARFPWUCPZOQK-UHFFFAOYSA-N 2 1 318.509 3.235 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nccc3c2CCCC3)[C@@H](C)C1 ZINC000892106702 617964210 /nfs/dbraw/zinc/96/42/10/617964210.db2.gz WVBSNKXGJHIIEU-HNAYVOBHSA-N 2 1 301.478 3.123 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc3c2CCCC3)[C@@H](C)C1 ZINC000892106702 617964214 /nfs/dbraw/zinc/96/42/14/617964214.db2.gz WVBSNKXGJHIIEU-HNAYVOBHSA-N 2 1 301.478 3.123 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc3c2CCCC3)[C@@H](C)C1 ZINC000892106702 617964221 /nfs/dbraw/zinc/96/42/21/617964221.db2.gz WVBSNKXGJHIIEU-HNAYVOBHSA-N 2 1 301.478 3.123 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926573965 618052076 /nfs/dbraw/zinc/05/20/76/618052076.db2.gz QYKCPEMYWBMQPG-JKSUJKDBSA-N 2 1 304.478 3.297 20 0 DGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926718701 618094802 /nfs/dbraw/zinc/09/48/02/618094802.db2.gz LXNIZVDQXQEKHG-SZVBFZGTSA-N 2 1 306.494 3.354 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892583333 618112876 /nfs/dbraw/zinc/11/28/76/618112876.db2.gz CEVIUASCYHMAMW-OAHLLOKOSA-N 2 1 304.482 3.042 20 0 DGADMP COC(=O)c1sccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000892585172 618113300 /nfs/dbraw/zinc/11/33/00/618113300.db2.gz QRGLKRBBMXRYHY-CQSZACIVSA-N 2 1 324.490 3.279 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(OC)o2)c1 ZINC000892612654 618118584 /nfs/dbraw/zinc/11/85/84/618118584.db2.gz KVMHHXKECLVDKS-UHFFFAOYSA-N 2 1 302.418 3.420 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000854222576 620785659 /nfs/dbraw/zinc/78/56/59/620785659.db2.gz IWNOHCBYXMAIIA-WCIQWLHISA-N 2 1 314.473 3.309 20 0 DGADMP COc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000892739528 618298985 /nfs/dbraw/zinc/29/89/85/618298985.db2.gz HWGXRUMZAIBSLI-KRWDZBQOSA-N 2 1 314.429 3.290 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1F ZINC000924605376 618313515 /nfs/dbraw/zinc/31/35/15/618313515.db2.gz DIWRAYYPLVUWCY-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(O)c(F)c2)cc1 ZINC000894455641 618339297 /nfs/dbraw/zinc/33/92/97/618339297.db2.gz GXTYPYHXIWDKSL-UHFFFAOYSA-N 2 1 302.393 3.225 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CCCn1ccnc1C ZINC000894475681 618348966 /nfs/dbraw/zinc/34/89/66/618348966.db2.gz HWOWFOSSKQYEAP-UHFFFAOYSA-N 2 1 303.454 3.108 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000894475681 618348972 /nfs/dbraw/zinc/34/89/72/618348972.db2.gz HWOWFOSSKQYEAP-UHFFFAOYSA-N 2 1 303.454 3.108 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCC(OC)CC1 ZINC000894479326 618350317 /nfs/dbraw/zinc/35/03/17/618350317.db2.gz OAWDVFOQOPXKLU-UHFFFAOYSA-N 2 1 307.482 3.363 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCC(OC)CC1 ZINC000894479326 618350324 /nfs/dbraw/zinc/35/03/24/618350324.db2.gz OAWDVFOQOPXKLU-UHFFFAOYSA-N 2 1 307.482 3.363 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(F)cc2C)c1 ZINC000892938341 618357940 /nfs/dbraw/zinc/35/79/40/618357940.db2.gz LTJPWMYOQDGUDN-UHFFFAOYSA-N 2 1 301.409 3.271 20 0 DGADMP C[N@H+]1CC[C@H](Nc2cc(N)[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000893009109 618387902 /nfs/dbraw/zinc/38/79/02/618387902.db2.gz PPPCOLCXQGSLJX-BBRMVZONSA-N 2 1 302.809 3.175 20 0 DGADMP COc1cc2c(cc1Cl)C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC000894646420 618410810 /nfs/dbraw/zinc/41/08/10/618410810.db2.gz DSPFIBBDHUMKJA-UHFFFAOYSA-N 2 1 308.853 3.049 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000925504243 618424917 /nfs/dbraw/zinc/42/49/17/618424917.db2.gz KXUUXOCDHAUYSM-QFIPXVFZSA-N 2 1 322.518 3.024 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c1CCOC2 ZINC000894775746 618451308 /nfs/dbraw/zinc/45/13/08/618451308.db2.gz BQDSZMCXLFMEBC-UHFFFAOYSA-N 2 1 302.462 3.067 20 0 DGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CC3CC[NH+](C)CC3)C2)c1 ZINC000894784314 618457313 /nfs/dbraw/zinc/45/73/13/618457313.db2.gz MNVPJEVLDRRNHQ-IYARVYRRSA-N 2 1 302.462 3.215 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893305717 618505805 /nfs/dbraw/zinc/50/58/05/618505805.db2.gz UHKYEFAAEDHTQY-BVXMROAISA-N 2 1 306.425 3.117 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925619754 618511722 /nfs/dbraw/zinc/51/17/22/618511722.db2.gz ARHIMIBRHRGPDN-QZTJIDSGSA-N 3 1 307.526 3.007 20 0 DGADMP [NH3+][C@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C12CCC2 ZINC000925721780 618551436 /nfs/dbraw/zinc/55/14/36/618551436.db2.gz FTQMBUPHTFEOMY-PMPSAXMXSA-N 2 1 306.837 3.063 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)OC1 ZINC000925730307 618580830 /nfs/dbraw/zinc/58/08/30/618580830.db2.gz DSDJCCCDQGNKQD-KSZLIROESA-N 2 1 302.462 3.275 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)[NH+](C)C ZINC000895295011 618589342 /nfs/dbraw/zinc/58/93/42/618589342.db2.gz YFRKYLXRPGXWJV-LLVKDONJSA-N 2 1 322.346 3.197 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc(OCc2ccccn2)c1)[NH+](C)C ZINC000895299955 618590418 /nfs/dbraw/zinc/59/04/18/618590418.db2.gz OVTCTWYDDLFBBO-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)[NH+](C)C ZINC000895296821 618590624 /nfs/dbraw/zinc/59/06/24/618590624.db2.gz FJBTTWZALAROSU-JTQLQIEISA-N 2 1 306.784 3.371 20 0 DGADMP CC1=NO[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000895305417 618591290 /nfs/dbraw/zinc/59/12/90/618591290.db2.gz SDMFSCRNPLLFBM-INIZCTEOSA-N 2 1 309.498 3.420 20 0 DGADMP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925834354 618641271 /nfs/dbraw/zinc/64/12/71/618641271.db2.gz VZMUNMZOZRPAOZ-HZSPNIEDSA-N 2 1 305.491 3.032 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCNCC2)c2sccc21 ZINC000925848064 618645872 /nfs/dbraw/zinc/64/58/72/618645872.db2.gz ZIXTVSOUHBVPIO-RDJZCZTQSA-N 2 1 321.534 3.352 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3([C@@H]4CCCCO4)CC3)CC[NH2+]2)cc1 ZINC000925892597 618653833 /nfs/dbraw/zinc/65/38/33/618653833.db2.gz CBJNAHKIVFAKFF-BZSNNMDCSA-N 2 1 300.446 3.171 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894102345 618710822 /nfs/dbraw/zinc/71/08/22/618710822.db2.gz MLMVDHXOAZYEPH-QGZVFWFLSA-N 2 1 310.869 3.301 20 0 DGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccccc1 ZINC000894144407 618720057 /nfs/dbraw/zinc/72/00/57/618720057.db2.gz ULTNDMIHPNYMQS-HDDXRBDOSA-N 2 1 302.462 3.104 20 0 DGADMP Oc1cccc2sc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000894186951 618725906 /nfs/dbraw/zinc/72/59/06/618725906.db2.gz FKMQDTQWVVPZOJ-STQMWFEESA-N 2 1 302.443 3.323 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3c2NCCC3)CCN1c1cc[nH+]cc1 ZINC000895556717 618798695 /nfs/dbraw/zinc/79/86/95/618798695.db2.gz IRYLWAQLXUVMIU-INIZCTEOSA-N 2 1 322.456 3.150 20 0 DGADMP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)c1 ZINC000895736626 618826409 /nfs/dbraw/zinc/82/64/09/618826409.db2.gz NWMHWGDKUCGYJU-UHFFFAOYSA-N 2 1 302.462 3.454 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cccnc1 ZINC000896720663 618948068 /nfs/dbraw/zinc/94/80/68/618948068.db2.gz INCZXCMJTFDHJL-XLIONFOSSA-N 2 1 309.457 3.394 20 0 DGADMP C[NH+](C)CC[C@H](NC[C@H]1C[C@H]1c1ccccc1)c1cccnc1 ZINC000896722010 618948355 /nfs/dbraw/zinc/94/83/55/618948355.db2.gz XJDXMBPLQFEVPT-AABGKKOBSA-N 2 1 309.457 3.468 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1cccnc1 ZINC000896722010 618948357 /nfs/dbraw/zinc/94/83/57/618948357.db2.gz XJDXMBPLQFEVPT-AABGKKOBSA-N 2 1 309.457 3.468 20 0 DGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)cc2C)C1 ZINC000909596185 619043628 /nfs/dbraw/zinc/04/36/28/619043628.db2.gz LCFVEIJHIGZFMW-QGZVFWFLSA-N 2 1 317.477 3.117 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000897520220 619144313 /nfs/dbraw/zinc/14/43/13/619144313.db2.gz CHYZVCQBWIVTNC-QGZVFWFLSA-N 2 1 317.477 3.340 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000897520220 619144315 /nfs/dbraw/zinc/14/43/15/619144315.db2.gz CHYZVCQBWIVTNC-QGZVFWFLSA-N 2 1 317.477 3.340 20 0 DGADMP O[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000897535860 619151139 /nfs/dbraw/zinc/15/11/39/619151139.db2.gz GIESNVUBGKUSNF-UYAOXDASSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@H+]2C2CC2)cc1 ZINC000897809597 619184533 /nfs/dbraw/zinc/18/45/33/619184533.db2.gz KYDUKRZIFPNFNT-NBUKQQEXSA-N 2 1 324.468 3.120 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@@H+]2C2CC2)cc1 ZINC000897809597 619184534 /nfs/dbraw/zinc/18/45/34/619184534.db2.gz KYDUKRZIFPNFNT-NBUKQQEXSA-N 2 1 324.468 3.120 20 0 DGADMP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc2nonc12 ZINC000897990936 619204033 /nfs/dbraw/zinc/20/40/33/619204033.db2.gz HHVMMVASPSUFDB-UHFFFAOYSA-N 2 1 314.433 3.110 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)s1 ZINC000898015549 619205962 /nfs/dbraw/zinc/20/59/62/619205962.db2.gz ZCAGYBFIRYSVBK-NSHDSACASA-N 2 1 303.422 3.120 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924628929 619248847 /nfs/dbraw/zinc/24/88/47/619248847.db2.gz NGLIUSBSUQSFKG-INIZCTEOSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685734 619257378 /nfs/dbraw/zinc/25/73/78/619257378.db2.gz PVOLNXAFVLWPST-FCGDIQPGSA-N 2 1 310.526 3.395 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccnn1CC1CCC1 ZINC000924715201 619264347 /nfs/dbraw/zinc/26/43/47/619264347.db2.gz KSRYRQFUUKOVEF-JKSUJKDBSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC000898517677 619283442 /nfs/dbraw/zinc/28/34/42/619283442.db2.gz BKVZPKQFXTXPQT-PKOFMYQESA-N 2 1 314.473 3.054 20 0 DGADMP COC1CC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898518710 619283458 /nfs/dbraw/zinc/28/34/58/619283458.db2.gz JSZNEBJVNNLDBZ-VXSNHJRBSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1F ZINC000924775718 619433654 /nfs/dbraw/zinc/43/36/54/619433654.db2.gz LDOKCAINZHAOKM-CQSZACIVSA-N 2 1 324.403 3.436 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1cc(-c2ccccc2C(F)(F)F)no1 ZINC000901397998 619495364 /nfs/dbraw/zinc/49/53/64/619495364.db2.gz IHHJDMNXOUBISI-UHFFFAOYSA-N 2 1 313.323 3.141 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2ccccc2C(F)(F)F)no1 ZINC000901397998 619495365 /nfs/dbraw/zinc/49/53/65/619495365.db2.gz IHHJDMNXOUBISI-UHFFFAOYSA-N 2 1 313.323 3.141 20 0 DGADMP CCn1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000902041760 619579736 /nfs/dbraw/zinc/57/97/36/619579736.db2.gz PBPIKVMGHNKSJU-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CCn1cnc(C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000902042222 619580086 /nfs/dbraw/zinc/58/00/86/619580086.db2.gz RRTSKRKTKLLXDO-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348300 619620391 /nfs/dbraw/zinc/62/03/91/619620391.db2.gz UHRGDAPPWHCYCT-GJZGRUSLSA-N 2 1 314.477 3.485 20 0 DGADMP Cn1c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc2cccc(Cl)c21 ZINC000902373459 619624624 /nfs/dbraw/zinc/62/46/24/619624624.db2.gz DSAAXCUOYZWBGT-LBPRGKRZSA-N 2 1 320.868 3.095 20 0 DGADMP C[C@@H]1[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000902384982 619629401 /nfs/dbraw/zinc/62/94/01/619629401.db2.gz QMKVGCHWNPIFTN-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000902384982 619629402 /nfs/dbraw/zinc/62/94/02/619629402.db2.gz QMKVGCHWNPIFTN-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1F ZINC000902472267 619638010 /nfs/dbraw/zinc/63/80/10/619638010.db2.gz ZTRBQPCPMCUWOM-WSWKGWCUSA-N 2 1 318.436 3.343 20 0 DGADMP C[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902481798 619645213 /nfs/dbraw/zinc/64/52/13/619645213.db2.gz HDIQTNJSVKPNFK-IHPCNDPISA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902484229 619645613 /nfs/dbraw/zinc/64/56/13/619645613.db2.gz VAGMFJCOVYCMQY-CABCVRRESA-N 2 1 300.450 3.006 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnc2)c1 ZINC000902742648 619669053 /nfs/dbraw/zinc/66/90/53/619669053.db2.gz VEQOWPLPTMSKGR-HOTGVXAUSA-N 2 1 310.445 3.007 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000902742874 619669064 /nfs/dbraw/zinc/66/90/64/619669064.db2.gz ZYNZOJXOPJCYOG-BXTJHSDWSA-N 2 1 314.473 3.393 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753486 619670318 /nfs/dbraw/zinc/67/03/18/619670318.db2.gz QENCXEUHRDDGLY-UBHSHLNASA-N 2 1 313.367 3.378 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)C[NH+]1CCCC1 ZINC000902754343 619670719 /nfs/dbraw/zinc/67/07/19/619670719.db2.gz ABACAFCPBPOQPV-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1 ZINC000902755595 619670801 /nfs/dbraw/zinc/67/08/01/619670801.db2.gz RTDVQWNFUBTGAG-CQSZACIVSA-N 2 1 315.417 3.027 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902761126 619672018 /nfs/dbraw/zinc/67/20/18/619672018.db2.gz KPYPLOPIJFCHJB-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000902797086 619678085 /nfs/dbraw/zinc/67/80/85/619678085.db2.gz TUZKRWXKWSNPKR-YZVOILCLSA-N 2 1 302.462 3.250 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902818121 619678928 /nfs/dbraw/zinc/67/89/28/619678928.db2.gz JVYFIOFWEVSRPC-YJBOKZPZSA-N 2 1 313.445 3.201 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1COc2ccccc2C1 ZINC000902822011 619679707 /nfs/dbraw/zinc/67/97/07/619679707.db2.gz OPKQQWSQWVOCBW-ZUWIJXEISA-N 2 1 314.473 3.231 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1COc2ccccc2C1 ZINC000902822011 619679709 /nfs/dbraw/zinc/67/97/09/619679709.db2.gz OPKQQWSQWVOCBW-ZUWIJXEISA-N 2 1 314.473 3.231 20 0 DGADMP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000902895836 619690109 /nfs/dbraw/zinc/69/01/09/619690109.db2.gz DGPONWNDQSLVOO-KUHUBIRLSA-N 2 1 300.446 3.170 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C1CC1 ZINC000903017620 619702391 /nfs/dbraw/zinc/70/23/91/619702391.db2.gz WNKDQGVXVFFKAT-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCOC13CCCC3)C2 ZINC000903061848 619708648 /nfs/dbraw/zinc/70/86/48/619708648.db2.gz LEHXAQINBWSBNI-IBGZPJMESA-N 2 1 314.473 3.126 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCOC13CCCC3)C2 ZINC000903061848 619708649 /nfs/dbraw/zinc/70/86/49/619708649.db2.gz LEHXAQINBWSBNI-IBGZPJMESA-N 2 1 314.473 3.126 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1F)C1CCOCC1 ZINC000903086117 619713309 /nfs/dbraw/zinc/71/33/09/619713309.db2.gz KCHNXTSXIVSJMK-SFHVURJKSA-N 2 1 317.408 3.088 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903090036 619714015 /nfs/dbraw/zinc/71/40/15/619714015.db2.gz VNHZIQBNNIQXBH-NMACRGETSA-N 2 1 314.473 3.461 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000903090907 619714437 /nfs/dbraw/zinc/71/44/37/619714437.db2.gz IYWROVRKGCYTNH-SFHVURJKSA-N 2 1 302.462 3.330 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000903071333 619715190 /nfs/dbraw/zinc/71/51/90/619715190.db2.gz BDECEORTWWRDSP-GDIGMMSISA-N 2 1 316.445 3.027 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000903097796 619715893 /nfs/dbraw/zinc/71/58/93/619715893.db2.gz JRTYVNMRRLEXBE-ATZDWAIDSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@@H+]1C ZINC000903098806 619715971 /nfs/dbraw/zinc/71/59/71/619715971.db2.gz AFRDKGNTVCCZPC-ALKREAHSSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@H+]1C ZINC000903098806 619715972 /nfs/dbraw/zinc/71/59/72/619715972.db2.gz AFRDKGNTVCCZPC-ALKREAHSSA-N 2 1 320.452 3.366 20 0 DGADMP COc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903132469 619723282 /nfs/dbraw/zinc/72/32/82/619723282.db2.gz ZDUQOSLEGUOGCC-ZXFUBFMLSA-N 2 1 304.409 3.082 20 0 DGADMP COc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903132469 619723283 /nfs/dbraw/zinc/72/32/83/619723283.db2.gz ZDUQOSLEGUOGCC-ZXFUBFMLSA-N 2 1 304.409 3.082 20 0 DGADMP COC1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903153718 619725933 /nfs/dbraw/zinc/72/59/33/619725933.db2.gz RGABLGMWLZBTKA-JTEKQCGQSA-N 2 1 306.494 3.329 20 0 DGADMP CC(C)O[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(C)C ZINC000903153794 619726001 /nfs/dbraw/zinc/72/60/01/619726001.db2.gz SYKUHBLGTJPBFD-LLPGRJKPSA-N 2 1 306.494 3.326 20 0 DGADMP COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000903153374 619726058 /nfs/dbraw/zinc/72/60/58/619726058.db2.gz RRVRQLIRSDEWRE-HNNXBMFYSA-N 2 1 319.836 3.292 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903164445 619728454 /nfs/dbraw/zinc/72/84/54/619728454.db2.gz HNORZWQYZQUXSQ-ZNBHLAFESA-N 2 1 314.473 3.084 20 0 DGADMP CC(C)[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903179632 619731444 /nfs/dbraw/zinc/73/14/44/619731444.db2.gz RWMHZRNNGZEFKB-HUUCDWIBSA-N 2 1 306.494 3.185 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208065 619739006 /nfs/dbraw/zinc/73/90/06/619739006.db2.gz YRHGRGIXKWIXKJ-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208065 619739007 /nfs/dbraw/zinc/73/90/07/619739007.db2.gz YRHGRGIXKWIXKJ-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CC1(C)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)O1 ZINC000903229101 619744037 /nfs/dbraw/zinc/74/40/37/619744037.db2.gz ZBVZKWZNIWSMPL-ZBSSRIJBSA-N 2 1 306.494 3.328 20 0 DGADMP C[C@H]1[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000903299769 619753456 /nfs/dbraw/zinc/75/34/56/619753456.db2.gz DOTQDRQCYCTZGK-CMTQZCSUSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434284 619774856 /nfs/dbraw/zinc/77/48/56/619774856.db2.gz AEGCTEHVIUBJND-MFKMUULPSA-N 2 1 315.230 3.147 20 0 DGADMP FC1(F)[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000903421038 619776217 /nfs/dbraw/zinc/77/62/17/619776217.db2.gz KBGCNFFMXYNERA-IRXDYDNUSA-N 2 1 306.400 3.252 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1[C@@H](c3ccccc3)C1(F)F)CC[NH2+]CC2 ZINC000903460166 619776828 /nfs/dbraw/zinc/77/68/28/619776828.db2.gz YTGHPZDBTBXVNH-DJIMGWMZSA-N 2 1 320.427 3.499 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903476195 619780129 /nfs/dbraw/zinc/78/01/29/619780129.db2.gz QBGJGYCCZYSZEY-ZACQAIPSSA-N 2 1 302.462 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1C(F)(F)F ZINC000903474441 619780148 /nfs/dbraw/zinc/78/01/48/619780148.db2.gz MBOICOXZUOMSKP-ZIAGYGMSSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1C(F)(F)F ZINC000903474441 619780149 /nfs/dbraw/zinc/78/01/49/619780149.db2.gz MBOICOXZUOMSKP-ZIAGYGMSSA-N 2 1 311.351 3.127 20 0 DGADMP COC[C@@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCc2ccccc21 ZINC000903474746 619780203 /nfs/dbraw/zinc/78/02/03/619780203.db2.gz SDZFZRUSNPEPKI-IIHSZXCVSA-N 2 1 302.462 3.138 20 0 DGADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903565831 619783783 /nfs/dbraw/zinc/78/37/83/619783783.db2.gz SFFYLQPYHGUWQJ-KRWDZBQOSA-N 2 1 302.462 3.112 20 0 DGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718913 619803172 /nfs/dbraw/zinc/80/31/72/619803172.db2.gz TUPJNLHYJVFJBC-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718671 619803254 /nfs/dbraw/zinc/80/32/54/619803254.db2.gz QNGZTDHJISPKCV-NSISKUIASA-N 2 1 314.473 3.056 20 0 DGADMP C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCCC[NH2+]C1 ZINC000903719026 619803301 /nfs/dbraw/zinc/80/33/01/619803301.db2.gz UEYNOEFHVIEZSP-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)C[C@H]1CCCC[NH2+]C1 ZINC000903719026 619803303 /nfs/dbraw/zinc/80/33/03/619803303.db2.gz UEYNOEFHVIEZSP-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723257 619804342 /nfs/dbraw/zinc/80/43/42/619804342.db2.gz GOAGLZIOJBYBSL-KRWDZBQOSA-N 2 1 320.452 3.195 20 0 DGADMP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723391 619804401 /nfs/dbraw/zinc/80/44/01/619804401.db2.gz WPPDHOWNVPHIJY-ZBFHGGJFSA-N 2 1 320.502 3.216 20 0 DGADMP C[N@H+](Cc1csc2ccccc12)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723209 619804477 /nfs/dbraw/zinc/80/44/77/619804477.db2.gz FSKTWCQXGFLIGA-QAPCUYQASA-N 2 1 316.470 3.102 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c(C)c1 ZINC000903725081 619805081 /nfs/dbraw/zinc/80/50/81/619805081.db2.gz WCQWKLFHSBNFGY-SCTDSRPQSA-N 2 1 302.462 3.065 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1C ZINC000903734597 619807833 /nfs/dbraw/zinc/80/78/33/619807833.db2.gz SLJBDVTWVYEJQT-IHPCNDPISA-N 2 1 314.473 3.209 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733934 619807888 /nfs/dbraw/zinc/80/78/88/619807888.db2.gz MZLTVRJTOKKFHY-RTBURBONSA-N 2 1 316.489 3.098 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000903755298 619810464 /nfs/dbraw/zinc/81/04/64/619810464.db2.gz FBOIYUXGIOPNQU-UKRRQHHQSA-N 2 1 307.507 3.404 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903780868 619812508 /nfs/dbraw/zinc/81/25/08/619812508.db2.gz MVFCHRJFBLJYCD-HUUCEWRRSA-N 2 1 318.461 3.013 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903780868 619812512 /nfs/dbraw/zinc/81/25/12/619812512.db2.gz MVFCHRJFBLJYCD-HUUCEWRRSA-N 2 1 318.461 3.013 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)[nH]n1 ZINC000903781065 619813098 /nfs/dbraw/zinc/81/30/98/619813098.db2.gz NGBRRVLGGGZFIQ-JKSUJKDBSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781065 619813101 /nfs/dbraw/zinc/81/31/01/619813101.db2.gz NGBRRVLGGGZFIQ-JKSUJKDBSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781065 619813104 /nfs/dbraw/zinc/81/31/04/619813104.db2.gz NGBRRVLGGGZFIQ-JKSUJKDBSA-N 2 1 304.482 3.102 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOCc2ccccc2)CCC1 ZINC000903811523 619817830 /nfs/dbraw/zinc/81/78/30/619817830.db2.gz MEDYILFKVKHICQ-GOSISDBHSA-N 2 1 302.462 3.187 20 0 DGADMP COc1ccccc1N1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000903830150 619820906 /nfs/dbraw/zinc/82/09/06/619820906.db2.gz UXQPCTCQEXJOIZ-UHFFFAOYSA-N 2 1 319.493 3.117 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889353 619826075 /nfs/dbraw/zinc/82/60/75/619826075.db2.gz RGDKOPHMXAHLBQ-XIBWBMNSSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889353 619826077 /nfs/dbraw/zinc/82/60/77/619826077.db2.gz RGDKOPHMXAHLBQ-XIBWBMNSSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889353 619826078 /nfs/dbraw/zinc/82/60/78/619826078.db2.gz RGDKOPHMXAHLBQ-XIBWBMNSSA-N 3 1 319.537 3.103 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903872755 619827384 /nfs/dbraw/zinc/82/73/84/619827384.db2.gz BSAJYPKEPKNVEH-SOXMVSPVSA-N 2 1 300.446 3.363 20 0 DGADMP Fc1ccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c(F)c1 ZINC000903879886 619828178 /nfs/dbraw/zinc/82/81/78/619828178.db2.gz LLSGTAUZGXSKDC-SFESLNEESA-N 2 1 306.400 3.460 20 0 DGADMP C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H]([NH3+])CC(F)F ZINC000903884814 619828885 /nfs/dbraw/zinc/82/88/85/619828885.db2.gz ATOBCNVVQZYDTC-LBPRGKRZSA-N 2 1 306.784 3.023 20 0 DGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]([NH3+])CC(F)F ZINC000903884814 619828888 /nfs/dbraw/zinc/82/88/88/619828888.db2.gz ATOBCNVVQZYDTC-LBPRGKRZSA-N 2 1 306.784 3.023 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903892505 619829024 /nfs/dbraw/zinc/82/90/24/619829024.db2.gz UCXIZRFQFPOSCQ-MUSFGAPCSA-N 2 1 320.864 3.244 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903892505 619829027 /nfs/dbraw/zinc/82/90/27/619829027.db2.gz UCXIZRFQFPOSCQ-MUSFGAPCSA-N 2 1 320.864 3.244 20 0 DGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000903892724 619829175 /nfs/dbraw/zinc/82/91/75/619829175.db2.gz MDDJQVYYFVARSX-NQKGRLOXSA-N 2 1 305.491 3.291 20 0 DGADMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903907975 619833121 /nfs/dbraw/zinc/83/31/21/619833121.db2.gz BUQDPAKSFQGTSI-QRWLVFNGSA-N 2 1 307.441 3.310 20 0 DGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903959740 619839696 /nfs/dbraw/zinc/83/96/96/619839696.db2.gz NFEAUWAGVOCAEK-QGZVFWFLSA-N 2 1 307.507 3.307 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903959740 619839698 /nfs/dbraw/zinc/83/96/98/619839698.db2.gz NFEAUWAGVOCAEK-QGZVFWFLSA-N 2 1 307.507 3.307 20 0 DGADMP CCn1nc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC000903959906 619839773 /nfs/dbraw/zinc/83/97/73/619839773.db2.gz RPJBARCBAOYBNH-LJQANCHMSA-N 2 1 312.461 3.022 20 0 DGADMP CCn1nc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC000903959906 619839775 /nfs/dbraw/zinc/83/97/75/619839775.db2.gz RPJBARCBAOYBNH-LJQANCHMSA-N 2 1 312.461 3.022 20 0 DGADMP CCn1nc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC000903959905 619840112 /nfs/dbraw/zinc/84/01/12/619840112.db2.gz RPJBARCBAOYBNH-IBGZPJMESA-N 2 1 312.461 3.022 20 0 DGADMP CCn1nc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC000903959905 619840116 /nfs/dbraw/zinc/84/01/16/619840116.db2.gz RPJBARCBAOYBNH-IBGZPJMESA-N 2 1 312.461 3.022 20 0 DGADMP FC(F)Sc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956003 619847077 /nfs/dbraw/zinc/84/70/77/619847077.db2.gz FFQRZCFXVODBAQ-NSHDSACASA-N 2 1 322.371 3.336 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973107 619847643 /nfs/dbraw/zinc/84/76/43/619847643.db2.gz OKLBXDIZAQIQPC-RTBURBONSA-N 2 1 316.489 3.175 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1CC[NH3+] ZINC000903978149 619848629 /nfs/dbraw/zinc/84/86/29/619848629.db2.gz GWQVLELQWRTTBT-SJLPKXTDSA-N 2 1 324.472 3.266 20 0 DGADMP [NH3+][C@@H](CC1CC1)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904089336 619874535 /nfs/dbraw/zinc/87/45/35/619874535.db2.gz IITFYSZBTOIGPK-INIZCTEOSA-N 2 1 312.417 3.132 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CCC[NH2+]C1 ZINC000904306821 619911808 /nfs/dbraw/zinc/91/18/08/619911808.db2.gz DSTZNKDCRKBQKY-KXBFYZLASA-N 2 1 313.445 3.397 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000904326513 619913919 /nfs/dbraw/zinc/91/39/19/619913919.db2.gz LJSLKDAZFLSIQV-GARJFASQSA-N 2 1 319.396 3.079 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904342280 619914689 /nfs/dbraw/zinc/91/46/89/619914689.db2.gz BSRSAPUFADKFNR-DLBZAZTESA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904342280 619914692 /nfs/dbraw/zinc/91/46/92/619914692.db2.gz BSRSAPUFADKFNR-DLBZAZTESA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904339904 619914797 /nfs/dbraw/zinc/91/47/97/619914797.db2.gz ALNZLVUKNQHASO-GRDNDAEWSA-N 2 1 322.880 3.340 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)CCC[NH2+]C1 ZINC000904376040 619918096 /nfs/dbraw/zinc/91/80/96/619918096.db2.gz KTYNTTMGAFKEGX-IBGZPJMESA-N 2 1 311.429 3.353 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OC ZINC000904406340 619920021 /nfs/dbraw/zinc/92/00/21/619920021.db2.gz QHMAEDBZTDEHNE-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OCC(C)C ZINC000904409794 619920647 /nfs/dbraw/zinc/92/06/47/619920647.db2.gz ITZGEJSSVJLRKA-INIZCTEOSA-N 2 1 320.477 3.291 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC000904412494 619920877 /nfs/dbraw/zinc/92/08/77/619920877.db2.gz VABYPUCHNVLHCU-GXTWGEPZSA-N 2 1 312.889 3.062 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000904412810 619920992 /nfs/dbraw/zinc/92/09/92/619920992.db2.gz ZLRXRBOAYSPIQU-JQWIXIFHSA-N 2 1 304.331 3.261 20 0 DGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2([NH3+])CC2)o1 ZINC000904451057 619923494 /nfs/dbraw/zinc/92/34/94/619923494.db2.gz VNJBNWAFPSIKEG-UHFFFAOYSA-N 2 1 322.412 3.022 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000921688667 620934349 /nfs/dbraw/zinc/93/43/49/620934349.db2.gz AVMNLVIEEXXOEF-RDJZCZTQSA-N 2 1 302.462 3.220 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C2CCCC2)n1 ZINC000921817586 620954823 /nfs/dbraw/zinc/95/48/23/620954823.db2.gz LJBVPBYQUODHKG-IAGOWNOFSA-N 2 1 304.482 3.040 20 0 DGADMP CC[C@@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856551800 621004968 /nfs/dbraw/zinc/00/49/68/621004968.db2.gz ZVTJJMCXOGJGNT-QAPCUYQASA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551800 621004972 /nfs/dbraw/zinc/00/49/72/621004972.db2.gz ZVTJJMCXOGJGNT-QAPCUYQASA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551800 621004976 /nfs/dbraw/zinc/00/49/76/621004976.db2.gz ZVTJJMCXOGJGNT-QAPCUYQASA-N 2 1 305.466 3.033 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC=C(C)C)C2)ccn1 ZINC000856583533 621006451 /nfs/dbraw/zinc/00/64/51/621006451.db2.gz JAMGYIHBPKEGED-IBGZPJMESA-N 2 1 317.477 3.343 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC=C(C)C)C2)ccn1 ZINC000856583533 621006454 /nfs/dbraw/zinc/00/64/54/621006454.db2.gz JAMGYIHBPKEGED-IBGZPJMESA-N 2 1 317.477 3.343 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC=C(C)C)C2)ccn1 ZINC000856583533 621006456 /nfs/dbraw/zinc/00/64/56/621006456.db2.gz JAMGYIHBPKEGED-IBGZPJMESA-N 2 1 317.477 3.343 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCCF)C2)ccn1 ZINC000856605741 621006951 /nfs/dbraw/zinc/00/69/51/621006951.db2.gz YMUOCPSHFWPYJB-SFHVURJKSA-N 2 1 323.456 3.125 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCCF)C2)ccn1 ZINC000856605741 621006954 /nfs/dbraw/zinc/00/69/54/621006954.db2.gz YMUOCPSHFWPYJB-SFHVURJKSA-N 2 1 323.456 3.125 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCCF)C2)ccn1 ZINC000856605741 621006959 /nfs/dbraw/zinc/00/69/59/621006959.db2.gz YMUOCPSHFWPYJB-SFHVURJKSA-N 2 1 323.456 3.125 20 0 DGADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000922248560 621012777 /nfs/dbraw/zinc/01/27/77/621012777.db2.gz DRKFZNMZAHGYJI-MLHJIOFPSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000922248560 621012781 /nfs/dbraw/zinc/01/27/81/621012781.db2.gz DRKFZNMZAHGYJI-MLHJIOFPSA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)s3)C2)[C@@H]1C(C)C ZINC000922391277 621032577 /nfs/dbraw/zinc/03/25/77/621032577.db2.gz BBQFHISCIDNASY-BDXSIMOUSA-N 2 1 322.518 3.016 20 0 DGADMP FC1(F)[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000922773656 621098541 /nfs/dbraw/zinc/09/85/41/621098541.db2.gz YWTJQVQQKRONKR-QAETUUGQSA-N 2 1 306.400 3.252 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847149 621122040 /nfs/dbraw/zinc/12/20/40/621122040.db2.gz WIQRKTWUEWLANC-GOSISDBHSA-N 2 1 312.461 3.419 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857905083 621130177 /nfs/dbraw/zinc/13/01/77/621130177.db2.gz XNHOUXVBCYTNPH-SMDDNHRTSA-N 2 1 304.825 3.153 20 0 DGADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000857913737 621131520 /nfs/dbraw/zinc/13/15/20/621131520.db2.gz FLKQTDRYXVZHRH-GDBMZVCRSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000857913737 621131523 /nfs/dbraw/zinc/13/15/23/621131523.db2.gz FLKQTDRYXVZHRH-GDBMZVCRSA-N 2 1 319.880 3.434 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000858116671 621154737 /nfs/dbraw/zinc/15/47/37/621154737.db2.gz VACBJFIVTJXUGV-SFHVURJKSA-N 2 1 313.420 3.223 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000858116671 621154741 /nfs/dbraw/zinc/15/47/41/621154741.db2.gz VACBJFIVTJXUGV-SFHVURJKSA-N 2 1 313.420 3.223 20 0 DGADMP C[C@@H](CCNCc1ccnc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000858148166 621158251 /nfs/dbraw/zinc/15/82/51/621158251.db2.gz OHUTZNDVHYDSLR-HNNXBMFYSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccnc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000858148166 621158255 /nfs/dbraw/zinc/15/82/55/621158255.db2.gz OHUTZNDVHYDSLR-HNNXBMFYSA-N 2 1 301.409 3.221 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccnc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000858148166 621158258 /nfs/dbraw/zinc/15/82/58/621158258.db2.gz OHUTZNDVHYDSLR-HNNXBMFYSA-N 2 1 301.409 3.221 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1(C)C ZINC000858155949 621159915 /nfs/dbraw/zinc/15/99/15/621159915.db2.gz CBFLEILQIYLJFX-FDYSRKEFSA-N 2 1 316.489 3.279 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)CC1(C)C ZINC000858189034 621163237 /nfs/dbraw/zinc/16/32/37/621163237.db2.gz LIOCPZSPDHHJKJ-VQIMIIECSA-N 2 1 312.457 3.336 20 0 DGADMP Fc1ccc([C@@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000923305094 621174405 /nfs/dbraw/zinc/17/44/05/621174405.db2.gz FCUYZLROBZPJHV-JVPQYHMTSA-N 2 1 318.436 3.120 20 0 DGADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1cc2ccccc2o1 ZINC000923309330 621175430 /nfs/dbraw/zinc/17/54/30/621175430.db2.gz UMDDFNZPZGFJLW-ZBFHGGJFSA-N 2 1 314.429 3.194 20 0 DGADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309112 621175436 /nfs/dbraw/zinc/17/54/36/621175436.db2.gz REWGVCAQZRNISB-PXNSSMCTSA-N 2 1 322.452 3.355 20 0 DGADMP CCc1nc([C@@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923309583 621175459 /nfs/dbraw/zinc/17/54/59/621175459.db2.gz WWTVRZXYMMSWRW-UYTSQGDYSA-N 2 1 318.465 3.080 20 0 DGADMP CCc1nc([C@@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923309583 621175461 /nfs/dbraw/zinc/17/54/61/621175461.db2.gz WWTVRZXYMMSWRW-UYTSQGDYSA-N 2 1 318.465 3.080 20 0 DGADMP CCc1nccn1[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923323415 621176490 /nfs/dbraw/zinc/17/64/90/621176490.db2.gz UGZHBJPPWQAEMG-FBVQUNGASA-N 3 1 316.493 3.003 20 0 DGADMP Cc1nc2sccn2c1C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923369911 621179670 /nfs/dbraw/zinc/17/96/70/621179670.db2.gz RAYKVDSHTVOVCB-GOOCMWNKSA-N 2 1 318.490 3.057 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)c1 ZINC000858361868 621181223 /nfs/dbraw/zinc/18/12/23/621181223.db2.gz FYSSLEXKTWQNCO-GBESFXJTSA-N 2 1 302.462 3.145 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)c1 ZINC000858361868 621181225 /nfs/dbraw/zinc/18/12/25/621181225.db2.gz FYSSLEXKTWQNCO-GBESFXJTSA-N 2 1 302.462 3.145 20 0 DGADMP FC1(F)C[C@@]2(CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1(F)F ZINC000923428517 621183470 /nfs/dbraw/zinc/18/34/70/621183470.db2.gz HYWAAJMBACVRBR-WTUNAVPPSA-N 2 1 320.374 3.274 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487796 621186939 /nfs/dbraw/zinc/18/69/39/621186939.db2.gz NVFDPPPBOIUIPQ-CQSZACIVSA-N 2 1 318.852 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1C[NH3+] ZINC000923495392 621187347 /nfs/dbraw/zinc/18/73/47/621187347.db2.gz BSIAWDNXGSSONI-JQWIXIFHSA-N 2 1 315.230 3.005 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000923480576 621187525 /nfs/dbraw/zinc/18/75/25/621187525.db2.gz AIXNDEGTXJXROE-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482082 621187626 /nfs/dbraw/zinc/18/76/26/621187626.db2.gz NVQGGEXXJBCRQR-VXGBXAGGSA-N 2 1 302.340 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC[C@@H]1C[NH3+] ZINC000923493703 621187958 /nfs/dbraw/zinc/18/79/58/621187958.db2.gz UCHLBTUUQUYTBX-YSHGAJCASA-N 2 1 302.462 3.214 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@H]1C[NH3+] ZINC000923496553 621188168 /nfs/dbraw/zinc/18/81/68/621188168.db2.gz ATJLRCUPXIQUFF-AAEUAGOBSA-N 2 1 321.371 3.037 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@H]1C[NH3+] ZINC000923502743 621188562 /nfs/dbraw/zinc/18/85/62/621188562.db2.gz YZJLRRRTRZFLHI-OLZOCXBDSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1C[NH3+] ZINC000923497857 621188576 /nfs/dbraw/zinc/18/85/76/621188576.db2.gz MUDNAMVYFAHWDN-PWSUYJOCSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@H]1C[NH3+] ZINC000923499095 621188840 /nfs/dbraw/zinc/18/88/40/621188840.db2.gz JPIZXJPDVBJABU-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923497693 621188917 /nfs/dbraw/zinc/18/89/17/621188917.db2.gz JBHMZPMAMJXWAN-ILXRZTDVSA-N 2 1 314.433 3.023 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923504652 621189780 /nfs/dbraw/zinc/18/97/80/621189780.db2.gz SCWGWWSCGGPOOK-WMLDXEAASA-N 2 1 302.462 3.231 20 0 DGADMP CC(C)n1ccnc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507471 621190289 /nfs/dbraw/zinc/19/02/89/621190289.db2.gz OLCQKWQUDWSADB-INIZCTEOSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000858439982 621191347 /nfs/dbraw/zinc/19/13/47/621191347.db2.gz VDWZFDKVCGYFPX-CRAIPNDOSA-N 2 1 311.429 3.039 20 0 DGADMP C[C@@H](c1ccccc1Br)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519600 621191517 /nfs/dbraw/zinc/19/15/17/621191517.db2.gz VMEPHJSVUVKHHZ-RWMBFGLXSA-N 2 1 309.251 3.051 20 0 DGADMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519600 621191518 /nfs/dbraw/zinc/19/15/18/621191518.db2.gz VMEPHJSVUVKHHZ-RWMBFGLXSA-N 2 1 309.251 3.051 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000858491069 621197508 /nfs/dbraw/zinc/19/75/08/621197508.db2.gz XADJGSBWTNOYFV-XLIONFOSSA-N 2 1 316.489 3.476 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1csc2ccccc21 ZINC000754730327 621529081 /nfs/dbraw/zinc/52/90/81/621529081.db2.gz HWOPGOWNWSGCBE-UONOGXRCSA-N 2 1 304.459 3.009 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCOCC2)cc1 ZINC000754792426 621533437 /nfs/dbraw/zinc/53/34/37/621533437.db2.gz BLMYWIYLBNTRJN-AQNXPRMDSA-N 2 1 314.473 3.371 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cc(-c4ccccc4)cn3)C2)CC1 ZINC000755779747 621593197 /nfs/dbraw/zinc/59/31/97/621593197.db2.gz UILSOQVTWVFQOI-LJQANCHMSA-N 2 1 324.472 3.171 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000863646351 621693467 /nfs/dbraw/zinc/69/34/67/621693467.db2.gz RWIUMXMFENDTGL-BBRMVZONSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cncc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000863646351 621693469 /nfs/dbraw/zinc/69/34/69/621693469.db2.gz RWIUMXMFENDTGL-BBRMVZONSA-N 2 1 323.362 3.194 20 0 DGADMP CCOc1ccccc1C[N@H+](CCF)CCCn1ccnc1 ZINC000759344528 621847525 /nfs/dbraw/zinc/84/75/25/621847525.db2.gz ZMOCDYHHEDDAAA-UHFFFAOYSA-N 2 1 305.397 3.144 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000759782881 621889524 /nfs/dbraw/zinc/88/95/24/621889524.db2.gz LYWRHUWDXRNWGF-QGZVFWFLSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000759782881 621889528 /nfs/dbraw/zinc/88/95/28/621889528.db2.gz LYWRHUWDXRNWGF-QGZVFWFLSA-N 2 1 319.424 3.030 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865435720 621920186 /nfs/dbraw/zinc/92/01/86/621920186.db2.gz OFLUQQSEBRIIIC-LBPRGKRZSA-N 2 1 316.367 3.247 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865435720 621920188 /nfs/dbraw/zinc/92/01/88/621920188.db2.gz OFLUQQSEBRIIIC-LBPRGKRZSA-N 2 1 316.367 3.247 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865483884 621932649 /nfs/dbraw/zinc/93/26/49/621932649.db2.gz SOWCKNCSUWTVQW-CVEARBPZSA-N 2 1 301.409 3.336 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000865652281 621971677 /nfs/dbraw/zinc/97/16/77/621971677.db2.gz WBGVIIZIAHQLOV-SFHVURJKSA-N 2 1 318.530 3.426 20 0 DGADMP Cc1[nH]ncc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718245 621982457 /nfs/dbraw/zinc/98/24/57/621982457.db2.gz WOOKIQHCLCBCLS-UHFFFAOYSA-N 2 1 312.461 3.110 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)s1 ZINC000865726025 621983961 /nfs/dbraw/zinc/98/39/61/621983961.db2.gz IGCZLJUHXDOKFE-OAHLLOKOSA-N 2 1 323.506 3.034 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866272609 622082145 /nfs/dbraw/zinc/08/21/45/622082145.db2.gz RJTSKYSVZZIGJP-RDJZCZTQSA-N 2 1 303.381 3.033 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000866390790 622109272 /nfs/dbraw/zinc/10/92/72/622109272.db2.gz SUYAWSGODJNSDG-FUHWJXTLSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000866390790 622109274 /nfs/dbraw/zinc/10/92/74/622109274.db2.gz SUYAWSGODJNSDG-FUHWJXTLSA-N 2 1 301.478 3.399 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000866446151 622120001 /nfs/dbraw/zinc/12/00/01/622120001.db2.gz UBIARIDEWYTSMO-SEXNRBKUSA-N 2 1 323.440 3.255 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000866488881 622126149 /nfs/dbraw/zinc/12/61/49/622126149.db2.gz WKLNEWMNWXOAEG-RANZSIQMSA-N 2 1 304.503 3.381 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)[C@H](C)C1 ZINC000866492641 622126701 /nfs/dbraw/zinc/12/67/01/622126701.db2.gz QVUTXPPCLNTRPT-RDTXWAMCSA-N 2 1 317.452 3.478 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582587 622142090 /nfs/dbraw/zinc/14/20/90/622142090.db2.gz GNERFTUYNJGPNG-XNRPHZJLSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866582587 622142092 /nfs/dbraw/zinc/14/20/92/622142092.db2.gz GNERFTUYNJGPNG-XNRPHZJLSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866582587 622142094 /nfs/dbraw/zinc/14/20/94/622142094.db2.gz GNERFTUYNJGPNG-XNRPHZJLSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866582587 622142096 /nfs/dbraw/zinc/14/20/96/622142096.db2.gz GNERFTUYNJGPNG-XNRPHZJLSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582587 622142097 /nfs/dbraw/zinc/14/20/97/622142097.db2.gz GNERFTUYNJGPNG-XNRPHZJLSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccnn1C ZINC000866612309 622146659 /nfs/dbraw/zinc/14/66/59/622146659.db2.gz GPPSDTVDVICXIX-YQQAZPJKSA-N 2 1 304.482 3.114 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1Cl ZINC000866666297 622154174 /nfs/dbraw/zinc/15/41/74/622154174.db2.gz PNCRCYVUDWSPGP-HUUCEWRRSA-N 2 1 307.869 3.255 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1c(Cl)cncc1Cl)CC[NH2+]CC2 ZINC000866667323 622154612 /nfs/dbraw/zinc/15/46/12/622154612.db2.gz IYIJQWCKRRJBSG-LLVKDONJSA-N 2 1 314.260 3.352 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000866705617 622158874 /nfs/dbraw/zinc/15/88/74/622158874.db2.gz FAXODMIDYKZFNA-IBGZPJMESA-N 2 1 313.445 3.137 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000866717787 622159648 /nfs/dbraw/zinc/15/96/48/622159648.db2.gz OZAGGKILRLRIJO-DLBZAZTESA-N 2 1 302.462 3.264 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000866717871 622159681 /nfs/dbraw/zinc/15/96/81/622159681.db2.gz SAYQWWSQFWMXOA-GOSISDBHSA-N 2 1 323.440 3.351 20 0 DGADMP Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000866721745 622159718 /nfs/dbraw/zinc/15/97/18/622159718.db2.gz YMJCHRLOYSLMTA-FQEVSTJZSA-N 2 1 307.441 3.373 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cnn1-c1ccccc1 ZINC000764433027 622193817 /nfs/dbraw/zinc/19/38/17/622193817.db2.gz PFDJQYPPVJKQMG-OAHLLOKOSA-N 2 1 314.477 3.419 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292730 622257389 /nfs/dbraw/zinc/25/73/89/622257389.db2.gz XAMKVWXFLXMKRC-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292730 622257392 /nfs/dbraw/zinc/25/73/92/622257392.db2.gz XAMKVWXFLXMKRC-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454010 622265867 /nfs/dbraw/zinc/26/58/67/622265867.db2.gz WKUNRIXDVOTISU-APWZRJJASA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H]1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454011 622266092 /nfs/dbraw/zinc/26/60/92/622266092.db2.gz WKUNRIXDVOTISU-LPHOPBHVSA-N 2 1 307.526 3.103 20 0 DGADMP Cc1ccc(N2CC[N@H+](CC[C@@H]3CCC[NH+]3C)[C@H](C)C2)cc1C ZINC000767416929 622397178 /nfs/dbraw/zinc/39/71/78/622397178.db2.gz ZIUYXRHZOKGSLX-MOPGFXCFSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)[C@H](C)C2)cc1C ZINC000767416929 622397180 /nfs/dbraw/zinc/39/71/80/622397180.db2.gz ZIUYXRHZOKGSLX-MOPGFXCFSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1C ZINC000767416929 622397183 /nfs/dbraw/zinc/39/71/83/622397183.db2.gz ZIUYXRHZOKGSLX-MOPGFXCFSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)[C@H](C)C2)cc1C ZINC000767416929 622397186 /nfs/dbraw/zinc/39/71/86/622397186.db2.gz ZIUYXRHZOKGSLX-MOPGFXCFSA-N 2 1 315.505 3.298 20 0 DGADMP CC(C)C[C@@H](C[NH+](C)C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000123105192 622463777 /nfs/dbraw/zinc/46/37/77/622463777.db2.gz LCUNBGUELPZIQK-FQEVSTJZSA-N 2 1 317.521 3.217 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000769013882 622492269 /nfs/dbraw/zinc/49/22/69/622492269.db2.gz VYUUKPDBMGLMKD-MSOLQXFVSA-N 2 1 304.503 3.036 20 0 DGADMP C[C@@H](CC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1)n1ccnc1 ZINC000870731938 622504128 /nfs/dbraw/zinc/50/41/28/622504128.db2.gz CVSUUNWSLUTASE-RDJZCZTQSA-N 2 1 319.449 3.175 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCCC1)CC1CC[NH+](C)CC1 ZINC000769328524 622518198 /nfs/dbraw/zinc/51/81/98/622518198.db2.gz JGEIBICADYXPIB-UHFFFAOYSA-N 2 1 315.505 3.451 20 0 DGADMP CCc1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000769390215 622523564 /nfs/dbraw/zinc/52/35/64/622523564.db2.gz RNFZMRYVROECKK-UHFFFAOYSA-N 2 1 303.475 3.399 20 0 DGADMP CCc1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000769390215 622523567 /nfs/dbraw/zinc/52/35/67/622523567.db2.gz RNFZMRYVROECKK-UHFFFAOYSA-N 2 1 303.475 3.399 20 0 DGADMP FC(F)C1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000769494012 622534107 /nfs/dbraw/zinc/53/41/07/622534107.db2.gz DKBWPNFKUQBLJU-UHFFFAOYSA-N 2 1 308.416 3.327 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)oc21 ZINC000770354666 622624260 /nfs/dbraw/zinc/62/42/60/622624260.db2.gz ZJTNUCIMQCEMAD-DOTOQJQBSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)oc21 ZINC000770354666 622624263 /nfs/dbraw/zinc/62/42/63/622624263.db2.gz ZJTNUCIMQCEMAD-DOTOQJQBSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)oc21 ZINC000770354666 622624267 /nfs/dbraw/zinc/62/42/67/622624267.db2.gz ZJTNUCIMQCEMAD-DOTOQJQBSA-N 2 1 314.429 3.358 20 0 DGADMP CCCCCCOc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000770394744 622629821 /nfs/dbraw/zinc/62/98/21/622629821.db2.gz LSZSOGBSSIVZJA-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1)C1CCCC1 ZINC000871667739 622662158 /nfs/dbraw/zinc/66/21/58/622662158.db2.gz PPPFTRPDGGBHGO-BBRMVZONSA-N 2 1 313.449 3.082 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000871798607 622702608 /nfs/dbraw/zinc/70/26/08/622702608.db2.gz MZEYRPFSVSHYCQ-BXTFTQNJSA-N 2 1 304.438 3.001 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026369 622760047 /nfs/dbraw/zinc/76/00/47/622760047.db2.gz DYLGAMOCKONWHB-XMTFNYHQSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026369 622760051 /nfs/dbraw/zinc/76/00/51/622760051.db2.gz DYLGAMOCKONWHB-XMTFNYHQSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872051994 622777546 /nfs/dbraw/zinc/77/75/46/622777546.db2.gz MAJFUAHONSGTLC-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586015 622778321 /nfs/dbraw/zinc/77/83/21/622778321.db2.gz JCRODRXTZSPADQ-XKQJLSEDSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586015 622778324 /nfs/dbraw/zinc/77/83/24/622778324.db2.gz JCRODRXTZSPADQ-XKQJLSEDSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586015 622778326 /nfs/dbraw/zinc/77/83/26/622778326.db2.gz JCRODRXTZSPADQ-XKQJLSEDSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586015 622778331 /nfs/dbraw/zinc/77/83/31/622778331.db2.gz JCRODRXTZSPADQ-XKQJLSEDSA-N 2 1 310.869 3.178 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872067391 622787829 /nfs/dbraw/zinc/78/78/29/622787829.db2.gz QISPEMUUUHTEIY-ZCNNSNEGSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131686 622825434 /nfs/dbraw/zinc/82/54/34/622825434.db2.gz ZORUDXARJQPXOD-FPMFFAJLSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131686 622825436 /nfs/dbraw/zinc/82/54/36/622825436.db2.gz ZORUDXARJQPXOD-FPMFFAJLSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131306 622825510 /nfs/dbraw/zinc/82/55/10/622825510.db2.gz ZORUDXARJQPXOD-BNOWGMLFSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131306 622825512 /nfs/dbraw/zinc/82/55/12/622825512.db2.gz ZORUDXARJQPXOD-BNOWGMLFSA-N 2 1 313.367 3.378 20 0 DGADMP Cc1conc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000872144154 622831462 /nfs/dbraw/zinc/83/14/62/622831462.db2.gz WCQNHMGCDGAJCF-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1conc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000872144154 622831468 /nfs/dbraw/zinc/83/14/68/622831468.db2.gz WCQNHMGCDGAJCF-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1conc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000872144156 622832052 /nfs/dbraw/zinc/83/20/52/622832052.db2.gz WCQNHMGCDGAJCF-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1conc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000872144156 622832060 /nfs/dbraw/zinc/83/20/60/622832060.db2.gz WCQNHMGCDGAJCF-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000872148459 622832683 /nfs/dbraw/zinc/83/26/83/622832683.db2.gz PJLYGHDMNJBWLA-ZFWWWQNUSA-N 2 1 316.367 3.012 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@H]1C(F)(F)F ZINC000872147080 622833737 /nfs/dbraw/zinc/83/37/37/622833737.db2.gz CWQVTGCTRLHRRE-GDBMZVCRSA-N 2 1 308.347 3.409 20 0 DGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000872155119 622834353 /nfs/dbraw/zinc/83/43/53/622834353.db2.gz LMEDIJCJQVTDEE-QGZVFWFLSA-N 2 1 319.493 3.390 20 0 DGADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155489 622836112 /nfs/dbraw/zinc/83/61/12/622836112.db2.gz UQHLMMPVFGNICP-GFCCVEGCSA-N 2 1 308.451 3.310 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1coc(-c2ccc(F)cc2)n1 ZINC000872155405 622836681 /nfs/dbraw/zinc/83/66/81/622836681.db2.gz RCHMDDWQAMXMPO-UHFFFAOYSA-N 2 1 305.397 3.432 20 0 DGADMP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155279 622836821 /nfs/dbraw/zinc/83/68/21/622836821.db2.gz QFKVVNHBQOMNLX-AWEZNQCLSA-N 2 1 323.506 3.186 20 0 DGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155887 622837110 /nfs/dbraw/zinc/83/71/10/622837110.db2.gz ZQYOHBZMRLESPU-OAHLLOKOSA-N 2 1 305.466 3.027 20 0 DGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155431 622837295 /nfs/dbraw/zinc/83/72/95/622837295.db2.gz ROTQWLIPZJLWTN-CYBMUJFWSA-N 2 1 311.857 3.118 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@@H](C)C1 ZINC000772950240 622956507 /nfs/dbraw/zinc/95/65/07/622956507.db2.gz HENWGQTVFQUDIN-HOTGVXAUSA-N 2 1 316.555 3.245 20 0 DGADMP Cc1cnc(=S)n(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000872743426 622965614 /nfs/dbraw/zinc/96/56/14/622965614.db2.gz CEJRIVWVSDCSDN-UHFFFAOYSA-N 2 1 322.522 3.178 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872781358 622977840 /nfs/dbraw/zinc/97/78/40/622977840.db2.gz SHYNAWBGFFFRHQ-SJORKVTESA-N 2 1 315.392 3.055 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872781358 622977844 /nfs/dbraw/zinc/97/78/44/622977844.db2.gz SHYNAWBGFFFRHQ-SJORKVTESA-N 2 1 315.392 3.055 20 0 DGADMP C[N@@H+](Cc1cccc(-c2ccc(N)cc2)n1)C1CCC([NH3+])CC1 ZINC000873200409 623073636 /nfs/dbraw/zinc/07/36/36/623073636.db2.gz ALQJKLSVOGXHBZ-UHFFFAOYSA-N 2 1 310.445 3.033 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2)c1nccs1 ZINC000873209757 623075614 /nfs/dbraw/zinc/07/56/14/623075614.db2.gz PZGRYNCFZCBAAW-LLVKDONJSA-N 2 1 307.488 3.086 20 0 DGADMP Cc1ccc(F)c(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873209934 623075690 /nfs/dbraw/zinc/07/56/90/623075690.db2.gz WHUSNONNUXHBIK-UHFFFAOYSA-N 2 1 304.434 3.473 20 0 DGADMP Cc1ccc(F)c(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873209934 623075695 /nfs/dbraw/zinc/07/56/95/623075695.db2.gz WHUSNONNUXHBIK-UHFFFAOYSA-N 2 1 304.434 3.473 20 0 DGADMP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CC[C@@H](C)C1 ZINC000873209873 623075733 /nfs/dbraw/zinc/07/57/33/623075733.db2.gz UWVBCWPLHZLFRN-UKRRQHHQSA-N 2 1 308.491 3.031 20 0 DGADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000873218896 623077803 /nfs/dbraw/zinc/07/78/03/623077803.db2.gz BIYKBDSFBIHRQD-FUFFSDJGSA-N 3 1 315.505 3.332 20 0 DGADMP CC(C)(C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000873229131 623083082 /nfs/dbraw/zinc/08/30/82/623083082.db2.gz XVEPOHXXZAZTDG-GXTWGEPZSA-N 2 1 300.368 3.033 20 0 DGADMP Cc1cc2c(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)c[nH]c2cc1F ZINC000873246777 623090141 /nfs/dbraw/zinc/09/01/41/623090141.db2.gz AZECMSPUTXCTGP-LBPRGKRZSA-N 2 1 312.392 3.316 20 0 DGADMP Fc1ccc2c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)noc2c1 ZINC000873274649 623101070 /nfs/dbraw/zinc/10/10/70/623101070.db2.gz FMDSUIGFXFHDOX-CWRNSKLLSA-N 2 1 317.408 3.367 20 0 DGADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC000774258921 623125798 /nfs/dbraw/zinc/12/57/98/623125798.db2.gz UTISBYGEKSNHSP-PLTIAYLTSA-N 2 1 308.853 3.242 20 0 DGADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000774258921 623125799 /nfs/dbraw/zinc/12/57/99/623125799.db2.gz UTISBYGEKSNHSP-PLTIAYLTSA-N 2 1 308.853 3.242 20 0 DGADMP C[NH+](C)CCCOc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000774351635 623135744 /nfs/dbraw/zinc/13/57/44/623135744.db2.gz HLWONGIBWNIVCZ-AYHJJNSGSA-N 2 1 317.477 3.054 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000774605891 623164894 /nfs/dbraw/zinc/16/48/94/623164894.db2.gz CNLUQIWLGGBAGD-GOSISDBHSA-N 2 1 324.896 3.426 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CCCCC1 ZINC000775367536 623261279 /nfs/dbraw/zinc/26/12/79/623261279.db2.gz WYJQKXQMLNESRY-KFWWJZLASA-N 2 1 314.564 3.220 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775523564 623284230 /nfs/dbraw/zinc/28/42/30/623284230.db2.gz LDOMESUPACMSJK-DOTOQJQBSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523564 623284233 /nfs/dbraw/zinc/28/42/33/623284233.db2.gz LDOMESUPACMSJK-DOTOQJQBSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000776026708 623366491 /nfs/dbraw/zinc/36/64/91/623366491.db2.gz ULPDQFQCVUJAGT-XFKAJCMBSA-N 2 1 322.880 3.083 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000776266612 623404263 /nfs/dbraw/zinc/40/42/63/623404263.db2.gz WPDMKXYWTXYOTG-SECBINFHSA-N 2 1 313.232 3.202 20 0 DGADMP CCC[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000776350882 623414944 /nfs/dbraw/zinc/41/49/44/623414944.db2.gz OYMMOYQEJFFONB-FQEVSTJZSA-N 2 1 317.521 3.188 20 0 DGADMP COc1cnc(F)c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000876935131 623749074 /nfs/dbraw/zinc/74/90/74/623749074.db2.gz QLEBIHICMHHKBL-GASCZTMLSA-N 2 1 323.456 3.077 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc21 ZINC000876938898 623749706 /nfs/dbraw/zinc/74/97/06/623749706.db2.gz BIGCJJPYXJGFHS-NEPJUHHUSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000876938898 623749712 /nfs/dbraw/zinc/74/97/12/623749712.db2.gz BIGCJJPYXJGFHS-NEPJUHHUSA-N 2 1 305.809 3.198 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000876964718 623756745 /nfs/dbraw/zinc/75/67/45/623756745.db2.gz NZEVDWVOFPDJRU-OSAWLIQMSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000876964718 623756748 /nfs/dbraw/zinc/75/67/48/623756748.db2.gz NZEVDWVOFPDJRU-OSAWLIQMSA-N 2 1 318.442 3.419 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(Cl)nn2)c1 ZINC000876981002 623759155 /nfs/dbraw/zinc/75/91/55/623759155.db2.gz LJBMUDKLZCIBFQ-UHFFFAOYSA-N 2 1 318.852 3.260 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)nn2)c1 ZINC000876981002 623759158 /nfs/dbraw/zinc/75/91/58/623759158.db2.gz LJBMUDKLZCIBFQ-UHFFFAOYSA-N 2 1 318.852 3.260 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)nn2)c1 ZINC000876981002 623759164 /nfs/dbraw/zinc/75/91/64/623759164.db2.gz LJBMUDKLZCIBFQ-UHFFFAOYSA-N 2 1 318.852 3.260 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876990255 623761455 /nfs/dbraw/zinc/76/14/55/623761455.db2.gz VSYZIWNSZLDPIY-IHPCNDPISA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876990255 623761457 /nfs/dbraw/zinc/76/14/57/623761457.db2.gz VSYZIWNSZLDPIY-IHPCNDPISA-N 2 1 316.489 3.351 20 0 DGADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877027168 623769122 /nfs/dbraw/zinc/76/91/22/623769122.db2.gz KFKKSVYSOLGAQY-YTQUADARSA-N 2 1 302.462 3.105 20 0 DGADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877027168 623769124 /nfs/dbraw/zinc/76/91/24/623769124.db2.gz KFKKSVYSOLGAQY-YTQUADARSA-N 2 1 302.462 3.105 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000877496722 623911711 /nfs/dbraw/zinc/91/17/11/623911711.db2.gz XKCHIOXOLQTBCL-UXHICEINSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@]1(C[NH2+]CCC[C@@H]2CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496768 623912320 /nfs/dbraw/zinc/91/23/20/623912320.db2.gz YDZVBKFLMXBTPD-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877528372 623926590 /nfs/dbraw/zinc/92/65/90/623926590.db2.gz YJEGFDGWSCYZSU-UHFFFAOYSA-N 2 1 312.392 3.401 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877528372 623926593 /nfs/dbraw/zinc/92/65/93/623926593.db2.gz YJEGFDGWSCYZSU-UHFFFAOYSA-N 2 1 312.392 3.401 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530327 623927569 /nfs/dbraw/zinc/92/75/69/623927569.db2.gz CSCXPTXVKBXAON-WFASDCNBSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530327 623927577 /nfs/dbraw/zinc/92/75/77/623927577.db2.gz CSCXPTXVKBXAON-WFASDCNBSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530327 623927580 /nfs/dbraw/zinc/92/75/80/623927580.db2.gz CSCXPTXVKBXAON-WFASDCNBSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530327 623927587 /nfs/dbraw/zinc/92/75/87/623927587.db2.gz CSCXPTXVKBXAON-WFASDCNBSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530325 623928242 /nfs/dbraw/zinc/92/82/42/623928242.db2.gz CSCXPTXVKBXAON-SWLSCSKDSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530325 623928248 /nfs/dbraw/zinc/92/82/48/623928248.db2.gz CSCXPTXVKBXAON-SWLSCSKDSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530325 623928251 /nfs/dbraw/zinc/92/82/51/623928251.db2.gz CSCXPTXVKBXAON-SWLSCSKDSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530325 623928256 /nfs/dbraw/zinc/92/82/56/623928256.db2.gz CSCXPTXVKBXAON-SWLSCSKDSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551455 623938232 /nfs/dbraw/zinc/93/82/32/623938232.db2.gz AGNHYGKZSMBUBW-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551455 623938234 /nfs/dbraw/zinc/93/82/34/623938234.db2.gz AGNHYGKZSMBUBW-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551455 623938240 /nfs/dbraw/zinc/93/82/40/623938240.db2.gz AGNHYGKZSMBUBW-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc4c(F)cccc4c3)C2)C1 ZINC000877551455 623938244 /nfs/dbraw/zinc/93/82/44/623938244.db2.gz AGNHYGKZSMBUBW-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744458 624016117 /nfs/dbraw/zinc/01/61/17/624016117.db2.gz TYVSQMOFCDPIMZ-RBUKOAKNSA-N 2 1 313.489 3.203 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744458 624016123 /nfs/dbraw/zinc/01/61/23/624016123.db2.gz TYVSQMOFCDPIMZ-RBUKOAKNSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744458 624016127 /nfs/dbraw/zinc/01/61/27/624016127.db2.gz TYVSQMOFCDPIMZ-RBUKOAKNSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000877744458 624016132 /nfs/dbraw/zinc/01/61/32/624016132.db2.gz TYVSQMOFCDPIMZ-RBUKOAKNSA-N 2 1 313.489 3.203 20 0 DGADMP CC(C)C[N@H+](Cc1nc2ccccc2[nH]1)CC1CC[NH+](C)CC1 ZINC000877767420 624028758 /nfs/dbraw/zinc/02/87/58/624028758.db2.gz IDNAITWVXMTGOW-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP CC(C)C[N@H+](Cc1ccc2c[nH]nc2c1)CC1CC[NH+](C)CC1 ZINC000877767925 624028803 /nfs/dbraw/zinc/02/88/03/624028803.db2.gz ZEFVMWAYVAWJOJ-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000877968060 624115506 /nfs/dbraw/zinc/11/55/06/624115506.db2.gz ICAPNDZUFVGPFW-UHFFFAOYSA-N 2 1 305.466 3.107 20 0 DGADMP Cc1conc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000878041755 624146438 /nfs/dbraw/zinc/14/64/38/624146438.db2.gz XSQDRYNULHJSBX-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Cc1conc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000878041755 624146442 /nfs/dbraw/zinc/14/64/42/624146442.db2.gz XSQDRYNULHJSBX-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP C=C/C=C\CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000878174103 624201824 /nfs/dbraw/zinc/20/18/24/624201824.db2.gz JDQJSBLHRDKEFE-WAYWQWQTSA-N 2 1 319.537 3.247 20 0 DGADMP C=C/C=C\CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174103 624201826 /nfs/dbraw/zinc/20/18/26/624201826.db2.gz JDQJSBLHRDKEFE-WAYWQWQTSA-N 3 1 319.537 3.247 20 0 DGADMP C=C/C=C\CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174103 624201828 /nfs/dbraw/zinc/20/18/28/624201828.db2.gz JDQJSBLHRDKEFE-WAYWQWQTSA-N 3 1 319.537 3.247 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000878422224 624274021 /nfs/dbraw/zinc/27/40/21/624274021.db2.gz HXJJLIRJRCFGMW-KVPLUYHFSA-N 2 1 318.505 3.140 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782761508 624280848 /nfs/dbraw/zinc/28/08/48/624280848.db2.gz ZXLRYQLVEUKMCO-VQIMIIECSA-N 2 1 302.462 3.086 20 0 DGADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000878606337 624320093 /nfs/dbraw/zinc/32/00/93/624320093.db2.gz ODYNDTJAVYBSPA-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000878606337 624320094 /nfs/dbraw/zinc/32/00/94/624320094.db2.gz ODYNDTJAVYBSPA-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000878606337 624320100 /nfs/dbraw/zinc/32/01/00/624320100.db2.gz ODYNDTJAVYBSPA-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000878746450 624352426 /nfs/dbraw/zinc/35/24/26/624352426.db2.gz AOKBXSCJEBAMME-UHFFFAOYSA-N 2 1 316.836 3.151 20 0 DGADMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000878746450 624352433 /nfs/dbraw/zinc/35/24/33/624352433.db2.gz AOKBXSCJEBAMME-UHFFFAOYSA-N 2 1 316.836 3.151 20 0 DGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748918 624353173 /nfs/dbraw/zinc/35/31/73/624353173.db2.gz UFOCAKHCQAUUDW-OAHLLOKOSA-N 2 1 309.404 3.419 20 0 DGADMP CCOCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000783490000 624357400 /nfs/dbraw/zinc/35/74/00/624357400.db2.gz HFVSDPDLMGMOPW-SFHVURJKSA-N 2 1 320.477 3.223 20 0 DGADMP CCOCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000783490000 624357403 /nfs/dbraw/zinc/35/74/03/624357403.db2.gz HFVSDPDLMGMOPW-SFHVURJKSA-N 2 1 320.477 3.223 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000783493129 624358144 /nfs/dbraw/zinc/35/81/44/624358144.db2.gz QTFGIWRDZUXEBN-FUHWJXTLSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000783493129 624358147 /nfs/dbraw/zinc/35/81/47/624358147.db2.gz QTFGIWRDZUXEBN-FUHWJXTLSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000783493129 624358152 /nfs/dbraw/zinc/35/81/52/624358152.db2.gz QTFGIWRDZUXEBN-FUHWJXTLSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000783493129 624358155 /nfs/dbraw/zinc/35/81/55/624358155.db2.gz QTFGIWRDZUXEBN-FUHWJXTLSA-N 2 1 320.477 3.364 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573267 624596326 /nfs/dbraw/zinc/59/63/26/624596326.db2.gz VVTGRDIAZCOCGW-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573267 624596329 /nfs/dbraw/zinc/59/63/29/624596329.db2.gz VVTGRDIAZCOCGW-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573267 624596331 /nfs/dbraw/zinc/59/63/31/624596331.db2.gz VVTGRDIAZCOCGW-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573267 624596335 /nfs/dbraw/zinc/59/63/35/624596335.db2.gz VVTGRDIAZCOCGW-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579194 624598332 /nfs/dbraw/zinc/59/83/32/624598332.db2.gz JQTXTRKUCKEPEI-FYQPLNBISA-N 2 1 314.473 3.323 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579194 624598337 /nfs/dbraw/zinc/59/83/37/624598337.db2.gz JQTXTRKUCKEPEI-FYQPLNBISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579194 624598340 /nfs/dbraw/zinc/59/83/40/624598340.db2.gz JQTXTRKUCKEPEI-FYQPLNBISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000879579194 624598344 /nfs/dbraw/zinc/59/83/44/624598344.db2.gz JQTXTRKUCKEPEI-FYQPLNBISA-N 2 1 314.473 3.323 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@H](CC[N@H+]4C)C3)cc2)n1 ZINC000879578767 624598414 /nfs/dbraw/zinc/59/84/14/624598414.db2.gz WCKAEAHVCDAUDA-QUCCMNQESA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cc2)n1 ZINC000879578767 624598418 /nfs/dbraw/zinc/59/84/18/624598418.db2.gz WCKAEAHVCDAUDA-QUCCMNQESA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578767 624598423 /nfs/dbraw/zinc/59/84/23/624598423.db2.gz WCKAEAHVCDAUDA-QUCCMNQESA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578767 624598425 /nfs/dbraw/zinc/59/84/25/624598425.db2.gz WCKAEAHVCDAUDA-QUCCMNQESA-N 2 1 324.472 3.015 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879674346 624635495 /nfs/dbraw/zinc/63/54/95/624635495.db2.gz GKCCFWRZHAOUSW-IBGZPJMESA-N 2 1 312.461 3.368 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1ccccc1F)CC1CC[NH+](C)CC1 ZINC000879702131 624645243 /nfs/dbraw/zinc/64/52/43/624645243.db2.gz GVJHFZZXQAFCJM-LJQANCHMSA-N 2 1 322.468 3.159 20 0 DGADMP Cc1noc(C)c1CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702922 624645299 /nfs/dbraw/zinc/64/52/99/624645299.db2.gz ABUQDLDWJLOOTA-UHFFFAOYSA-N 2 1 307.482 3.134 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948344 624728550 /nfs/dbraw/zinc/72/85/50/624728550.db2.gz XBQFVMQOSYCXDV-GOSISDBHSA-N 2 1 307.526 3.201 20 0 DGADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142729 624806738 /nfs/dbraw/zinc/80/67/38/624806738.db2.gz TXINDTFTTKXHEB-QZTJIDSGSA-N 2 1 317.864 3.463 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000880258978 624874624 /nfs/dbraw/zinc/87/46/24/624874624.db2.gz FPZQIADSWFAVAZ-CYBMUJFWSA-N 2 1 301.356 3.325 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260622 624874848 /nfs/dbraw/zinc/87/48/48/624874848.db2.gz QRPRRWZNJCLHFG-QGZVFWFLSA-N 2 1 317.477 3.189 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CCN1c1cc[nH+]cc1 ZINC000880258582 624875344 /nfs/dbraw/zinc/87/53/44/624875344.db2.gz AWNAARPTPUSNRI-FUHWJXTLSA-N 2 1 315.461 3.084 20 0 DGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880579460 624983427 /nfs/dbraw/zinc/98/34/27/624983427.db2.gz WYCZHGUVWMMUCA-LJQANCHMSA-N 2 1 308.510 3.391 20 0 DGADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000788479315 625193776 /nfs/dbraw/zinc/19/37/76/625193776.db2.gz SEYHJPIQDDNMFU-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000788484534 625195581 /nfs/dbraw/zinc/19/55/81/625195581.db2.gz ALTIQSMHVOYMRO-SFHVURJKSA-N 2 1 318.436 3.205 20 0 DGADMP CC(C)c1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000882881052 625843593 /nfs/dbraw/zinc/84/35/93/625843593.db2.gz VVDLVNPDXUGHCD-UHFFFAOYSA-N 2 1 312.461 3.419 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000130636088 625882417 /nfs/dbraw/zinc/88/24/17/625882417.db2.gz YBMWVEFFBBGBJP-BJJXKVORSA-N 2 1 323.278 3.317 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1cccc2c1CCOC2)C(C)C ZINC000883027179 625901825 /nfs/dbraw/zinc/90/18/25/625901825.db2.gz REJGZAHWPOEZFK-UHFFFAOYSA-N 2 1 304.478 3.358 20 0 DGADMP CCOc1ccc([C@@H]2C[C@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000883174884 625953610 /nfs/dbraw/zinc/95/36/10/625953610.db2.gz URXXIKNIEGUNPH-RYQLBKOJSA-N 2 1 302.462 3.404 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CCO)C2CC2)CC1 ZINC000796819023 626086503 /nfs/dbraw/zinc/08/65/03/626086503.db2.gz SCRRAFZZEGMTQN-MHJFOBGBSA-N 2 1 316.489 3.180 20 0 DGADMP C[NH+]1CCC2(CCCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000798404699 626216175 /nfs/dbraw/zinc/21/61/75/626216175.db2.gz NYZRWHRRVNXTOH-UHFFFAOYSA-N 2 1 324.266 3.156 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000798955913 626262320 /nfs/dbraw/zinc/26/23/20/626262320.db2.gz YTXIKWJMSNTBRK-SOAGJPPSSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000798955912 626262487 /nfs/dbraw/zinc/26/24/87/626262487.db2.gz YTXIKWJMSNTBRK-MHJFOBGBSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000800272008 626346000 /nfs/dbraw/zinc/34/60/00/626346000.db2.gz YYTJXDQJLOEXHE-HKUYNNGSSA-N 2 1 304.478 3.302 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000883272075 626630850 /nfs/dbraw/zinc/63/08/50/626630850.db2.gz CPXXGWAHWCXVIS-YUNKUFCWSA-N 2 1 316.489 3.444 20 0 DGADMP FC1(F)CCC[C@@H]1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883274581 626632533 /nfs/dbraw/zinc/63/25/33/626632533.db2.gz OUZJQIQALGVZFZ-ZBFHGGJFSA-N 2 1 316.436 3.045 20 0 DGADMP CCN1CC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000883354833 626658408 /nfs/dbraw/zinc/65/84/08/626658408.db2.gz CXADFVPXFIJZFS-MHJFOBGBSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883424338 626679377 /nfs/dbraw/zinc/67/93/77/626679377.db2.gz ONFWTXKTWTVDFV-BMSWRWNDSA-N 2 1 300.446 3.251 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccc1Br ZINC000883424129 626679662 /nfs/dbraw/zinc/67/96/62/626679662.db2.gz HNLZGYOJHAXRHP-GOOCMWNKSA-N 2 1 323.278 3.336 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1Br ZINC000883424129 626679664 /nfs/dbraw/zinc/67/96/64/626679664.db2.gz HNLZGYOJHAXRHP-GOOCMWNKSA-N 2 1 323.278 3.336 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@@H]1C[NH3+] ZINC000883432288 626680736 /nfs/dbraw/zinc/68/07/36/626680736.db2.gz OUSBBJDFLLBBIK-BVBHFADKSA-N 2 1 302.462 3.214 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)CC[C@H]1C(F)(F)F ZINC000883437466 626682189 /nfs/dbraw/zinc/68/21/89/626682189.db2.gz SQJUVWHECLPTBL-IJLUTSLNSA-N 2 1 314.342 3.271 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@](C)(CC)CC2=O)CC1 ZINC000808159471 626800284 /nfs/dbraw/zinc/80/02/84/626800284.db2.gz HRVYGPXFRJVINR-LJQANCHMSA-N 2 1 323.525 3.036 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)C(C)C)CC1)CC1CC1 ZINC000808742586 626857631 /nfs/dbraw/zinc/85/76/31/626857631.db2.gz CGIRRSRZAHWZRG-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000809738854 626944358 /nfs/dbraw/zinc/94/43/58/626944358.db2.gz MVXGAFRHWXRSDK-UHFFFAOYSA-N 2 1 324.428 3.363 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000885954027 627068192 /nfs/dbraw/zinc/06/81/92/627068192.db2.gz LKRLOYZROMXORH-GOSISDBHSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000885954027 627068194 /nfs/dbraw/zinc/06/81/94/627068194.db2.gz LKRLOYZROMXORH-GOSISDBHSA-N 2 1 312.461 3.028 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000886221235 627123049 /nfs/dbraw/zinc/12/30/49/627123049.db2.gz WCIKWZZWYMCEBY-AZUAARDMSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000886221235 627123050 /nfs/dbraw/zinc/12/30/50/627123050.db2.gz WCIKWZZWYMCEBY-AZUAARDMSA-N 2 1 316.489 3.257 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886305977 627134373 /nfs/dbraw/zinc/13/43/73/627134373.db2.gz VUHMPYLOJLFAMY-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000886313058 627135290 /nfs/dbraw/zinc/13/52/90/627135290.db2.gz QPXQOSUUPRUHHR-YTQUADARSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000886313058 627135292 /nfs/dbraw/zinc/13/52/92/627135292.db2.gz QPXQOSUUPRUHHR-YTQUADARSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)CN1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886500379 627153623 /nfs/dbraw/zinc/15/36/23/627153623.db2.gz SNIGACNLAVDTHH-UHFFFAOYSA-N 2 1 321.553 3.494 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000886604967 627171675 /nfs/dbraw/zinc/17/16/75/627171675.db2.gz HALFLYMQAWYZKS-UHFFFAOYSA-N 2 1 319.537 3.390 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886612238 627173087 /nfs/dbraw/zinc/17/30/87/627173087.db2.gz GVBNCIMUFPGKMC-PTGCCPEKSA-N 2 1 302.462 3.053 20 0 DGADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646945 627179566 /nfs/dbraw/zinc/17/95/66/627179566.db2.gz YKSWSHIENVHIJN-MDNKFWRPSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646945 627179569 /nfs/dbraw/zinc/17/95/69/627179569.db2.gz YKSWSHIENVHIJN-MDNKFWRPSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646945 627179571 /nfs/dbraw/zinc/17/95/71/627179571.db2.gz YKSWSHIENVHIJN-MDNKFWRPSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1nc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)[nH]c1C ZINC000886667560 627184672 /nfs/dbraw/zinc/18/46/72/627184672.db2.gz CQPBSEYDQRFDPG-QGZVFWFLSA-N 2 1 304.482 3.080 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)[nH+]c1C ZINC000886668418 627184832 /nfs/dbraw/zinc/18/48/32/627184832.db2.gz SNKADCKHVMAWAO-QGZVFWFLSA-N 2 1 317.408 3.079 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000886707208 627195367 /nfs/dbraw/zinc/19/53/67/627195367.db2.gz APNWHOWDFDKXHF-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CCCOc2ccccc2)CC1 ZINC000886707546 627195467 /nfs/dbraw/zinc/19/54/67/627195467.db2.gz KYFRZSLGZAYVSO-UHFFFAOYSA-N 2 1 302.462 3.406 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1)C1CCCC1 ZINC000886841596 627211383 /nfs/dbraw/zinc/21/13/83/627211383.db2.gz QJVHFYFTJIZQAN-GDAAHCPNSA-N 2 1 306.494 3.033 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000887134624 627228253 /nfs/dbraw/zinc/22/82/53/627228253.db2.gz MTZKNJLEWNHTIN-WMZOPIPTSA-N 2 1 315.461 3.084 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150074 627230072 /nfs/dbraw/zinc/23/00/72/627230072.db2.gz VYGBRXWNYCBNFD-UHFFFAOYSA-N 2 1 311.429 3.170 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150074 627230073 /nfs/dbraw/zinc/23/00/73/627230073.db2.gz VYGBRXWNYCBNFD-UHFFFAOYSA-N 2 1 311.429 3.170 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850402 627429870 /nfs/dbraw/zinc/42/98/70/627429870.db2.gz MRTBKBLZXBSUHC-APWZRJJASA-N 2 1 315.461 3.416 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850402 627429871 /nfs/dbraw/zinc/42/98/71/627429871.db2.gz MRTBKBLZXBSUHC-APWZRJJASA-N 2 1 315.461 3.416 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000924569578 627650484 /nfs/dbraw/zinc/65/04/84/627650484.db2.gz HWXOJOISPIFKOR-OAQYLSRUSA-N 2 1 323.484 3.309 20 0 DGADMP C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(C[NH+](C)C)c1 ZINC000924570900 627650720 /nfs/dbraw/zinc/65/07/20/627650720.db2.gz RUYKVSHLYSTHLX-OAHLLOKOSA-N 2 1 308.429 3.247 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnn(C2CCC2)c1 ZINC000924580381 627651712 /nfs/dbraw/zinc/65/17/12/627651712.db2.gz WNOZNKKWOLAOJL-MRXNPFEDSA-N 2 1 304.482 3.381 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cn(C)cn2)cc1 ZINC000924586951 627653167 /nfs/dbraw/zinc/65/31/67/627653167.db2.gz XVEJFJBSOZYWSJ-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C1CCCCC1 ZINC000924601901 627655572 /nfs/dbraw/zinc/65/55/72/627655572.db2.gz SLMSKSBAGPQZQV-IEBWSBKVSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000924684758 627667316 /nfs/dbraw/zinc/66/73/16/627667316.db2.gz FPSXUVGUDMLRTB-ZBFHGGJFSA-N 2 1 305.466 3.462 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924689550 627667970 /nfs/dbraw/zinc/66/79/70/627667970.db2.gz YOZARYGFZJAIPA-IRXDYDNUSA-N 2 1 318.509 3.382 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cn(C)cn2)c1 ZINC000924708499 627670593 /nfs/dbraw/zinc/67/05/93/627670593.db2.gz QNORRWZXNXEEPH-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924751194 627676367 /nfs/dbraw/zinc/67/63/67/627676367.db2.gz JYECBOUKMWJPBN-ZIFCJYIRSA-N 2 1 301.478 3.114 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924931693 627694750 /nfs/dbraw/zinc/69/47/50/627694750.db2.gz KAJFBSGSBJXGQK-UMQXSMKFSA-N 2 1 316.489 3.239 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924948613 627696198 /nfs/dbraw/zinc/69/61/98/627696198.db2.gz DWZYMBCKJJILKC-HZPDHXFCSA-N 3 1 314.477 3.240 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2[nH]1 ZINC000925024495 627701627 /nfs/dbraw/zinc/70/16/27/627701627.db2.gz VNFINLVBYVYBCO-RDJZCZTQSA-N 2 1 315.461 3.055 20 0 DGADMP C[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925132554 627711651 /nfs/dbraw/zinc/71/16/51/627711651.db2.gz IFAIFOWMXVZJDZ-DNVCBOLYSA-N 2 1 314.429 3.036 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000925135239 627711751 /nfs/dbraw/zinc/71/17/51/627711751.db2.gz VWLRJDQDOGGBJD-CYBMUJFWSA-N 2 1 301.390 3.051 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2OCCc3sccc32)CC1 ZINC000925160940 627715278 /nfs/dbraw/zinc/71/52/78/627715278.db2.gz OACXPORMOVJTGN-KRWDZBQOSA-N 2 1 322.518 3.462 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccnn1CC1CCC1 ZINC000925220825 627720804 /nfs/dbraw/zinc/72/08/04/627720804.db2.gz JYKNAIAIPJEZEC-XIRDDKMYSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228043 627721418 /nfs/dbraw/zinc/72/14/18/627721418.db2.gz FWDJMCFBBOSNQW-NUJGCVRESA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228043 627721421 /nfs/dbraw/zinc/72/14/21/627721421.db2.gz FWDJMCFBBOSNQW-NUJGCVRESA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)(C)[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000925388094 627732413 /nfs/dbraw/zinc/73/24/13/627732413.db2.gz SRYPZRXPJNBDFV-KRWDZBQOSA-N 2 1 308.510 3.436 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925508989 627744290 /nfs/dbraw/zinc/74/42/90/627744290.db2.gz JVVUBFBIZYTELO-SLFFLAALSA-N 2 1 315.505 3.047 20 0 DGADMP Cc1ccc2nc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)[nH]c2c1 ZINC000925525792 627747736 /nfs/dbraw/zinc/74/77/36/627747736.db2.gz FHTRLYLESQMPCC-INIZCTEOSA-N 2 1 308.429 3.441 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)C12CCC2 ZINC000925530581 627749069 /nfs/dbraw/zinc/74/90/69/627749069.db2.gz FGQVMWDNKUXXPS-IRXDYDNUSA-N 2 1 309.413 3.233 20 0 DGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925541183 627750572 /nfs/dbraw/zinc/75/05/72/627750572.db2.gz HPAQXXYTJDUBIC-IAGOWNOFSA-N 2 1 302.487 3.281 20 0 DGADMP C[C@H]([NH3+])[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553011 627753650 /nfs/dbraw/zinc/75/36/50/627753650.db2.gz MISIXDGOSZCKLV-ZIFCJYIRSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553011 627753652 /nfs/dbraw/zinc/75/36/52/627753652.db2.gz MISIXDGOSZCKLV-ZIFCJYIRSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553011 627753653 /nfs/dbraw/zinc/75/36/53/627753653.db2.gz MISIXDGOSZCKLV-ZIFCJYIRSA-N 2 1 303.494 3.319 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925641195 627767911 /nfs/dbraw/zinc/76/79/11/627767911.db2.gz WRPAZLKGLKTCTA-BZSNNMDCSA-N 2 1 300.446 3.171 20 0 DGADMP Fc1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925647696 627769739 /nfs/dbraw/zinc/76/97/39/627769739.db2.gz FTCIGZDFZSHWQG-OKZBNKHCSA-N 2 1 318.436 3.310 20 0 DGADMP CC1(C)C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655453 627771034 /nfs/dbraw/zinc/77/10/34/627771034.db2.gz VHTLPISEHJBFAQ-OTWHNJEPSA-N 2 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655453 627771037 /nfs/dbraw/zinc/77/10/37/627771037.db2.gz VHTLPISEHJBFAQ-OTWHNJEPSA-N 3 1 315.505 3.004 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655453 627771039 /nfs/dbraw/zinc/77/10/39/627771039.db2.gz VHTLPISEHJBFAQ-OTWHNJEPSA-N 3 1 315.505 3.004 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C12CCC2 ZINC000925673843 627774828 /nfs/dbraw/zinc/77/48/28/627774828.db2.gz PDFPDGAJGTWPQP-HAGHYFMRSA-N 2 1 322.452 3.321 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000925672785 627774886 /nfs/dbraw/zinc/77/48/86/627774886.db2.gz JPRWNKKCIUWJFU-JYJNAYRXSA-N 2 1 312.461 3.429 20 0 DGADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925686502 627776525 /nfs/dbraw/zinc/77/65/25/627776525.db2.gz VMNIXHINEJNJBN-DYVFJYSZSA-N 2 1 306.425 3.030 20 0 DGADMP Cc1ccc([C@@H](C2CCC2)N2CCc3sc(CN)nc3C2)o1 ZINC000925752084 627787102 /nfs/dbraw/zinc/78/71/02/627787102.db2.gz SNSNWTNWODGSSS-QGZVFWFLSA-N 2 1 317.458 3.403 20 0 DGADMP CCC1([NH3+])CCN([C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759785 627789867 /nfs/dbraw/zinc/78/98/67/627789867.db2.gz LRRFRARYZZAMNB-IEBWSBKVSA-N 2 1 315.505 3.100 20 0 DGADMP CCC1([NH3+])CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000925759783 627790036 /nfs/dbraw/zinc/79/00/36/627790036.db2.gz LQDKGQMNNYNZIS-PKOBYXMFSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925780559 627794650 /nfs/dbraw/zinc/79/46/50/627794650.db2.gz TUCHSOLQNQBDJA-JQWIXIFHSA-N 2 1 320.330 3.183 20 0 DGADMP CCSc1ccccc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000925835916 627803119 /nfs/dbraw/zinc/80/31/19/627803119.db2.gz VNYRBPAAAQLGJF-CYBMUJFWSA-N 2 1 301.459 3.499 20 0 DGADMP CCC[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccsc1 ZINC000925848055 627805537 /nfs/dbraw/zinc/80/55/37/627805537.db2.gz ZHCJFJSEAFABBF-QGZVFWFLSA-N 2 1 309.523 3.254 20 0 DGADMP CC(C)n1cc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119655 627847583 /nfs/dbraw/zinc/84/75/83/627847583.db2.gz OLLYXTGIUXVVTC-HRCADAONSA-N 2 1 319.497 3.163 20 0 DGADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnn(C2CCC2)c1 ZINC000926172738 627854974 /nfs/dbraw/zinc/85/49/74/627854974.db2.gz XLKWPXJFTJOCNC-HNNXBMFYSA-N 2 1 304.482 3.381 20 0 DGADMP CC(C)(O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926213341 627862409 /nfs/dbraw/zinc/86/24/09/627862409.db2.gz PIFZOAKIPSUSJD-YQQQUEKLSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H](O)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926316895 627878516 /nfs/dbraw/zinc/87/85/16/627878516.db2.gz YLXOUJVVEYXEEJ-OHSMVPPVSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1c(Cl)c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nn1C ZINC000817408700 627894462 /nfs/dbraw/zinc/89/44/62/627894462.db2.gz LSGKIFPKNSWQGU-UHFFFAOYSA-N 2 1 324.900 3.269 20 0 DGADMP O[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926562119 627914984 /nfs/dbraw/zinc/91/49/84/627914984.db2.gz DEPUNUQBXRSUOO-DGDSNLKDSA-N 2 1 314.473 3.075 20 0 DGADMP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[N@H+](C)CC(C)C)n(C)n1 ZINC000926646061 627926506 /nfs/dbraw/zinc/92/65/06/627926506.db2.gz UQCVDQOJACDZGC-MJGOQNOKSA-N 2 1 320.525 3.007 20 0 DGADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C2CCC2)c1 ZINC000926676649 627931100 /nfs/dbraw/zinc/93/11/00/627931100.db2.gz VHUYHSJWMOREAV-BMGDILEWSA-N 2 1 302.466 3.276 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(Br)CC1 ZINC000926739086 627943668 /nfs/dbraw/zinc/94/36/68/627943668.db2.gz NYRQPIFIMVQQCV-JSGCOSHPSA-N 2 1 315.299 3.014 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1(Br)CC1 ZINC000926739089 627943776 /nfs/dbraw/zinc/94/37/76/627943776.db2.gz NYRQPIFIMVQQCV-TZMCWYRMSA-N 2 1 315.299 3.014 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739401 627944350 /nfs/dbraw/zinc/94/43/50/627944350.db2.gz RITNWZNEHOWFEZ-DOTOQJQBSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739401 627944353 /nfs/dbraw/zinc/94/43/53/627944353.db2.gz RITNWZNEHOWFEZ-DOTOQJQBSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739155 627944456 /nfs/dbraw/zinc/94/44/56/627944456.db2.gz OQZQWXPXFMPJSX-HOCLYGCPSA-N 2 1 316.445 3.188 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739155 627944459 /nfs/dbraw/zinc/94/44/59/627944459.db2.gz OQZQWXPXFMPJSX-HOCLYGCPSA-N 2 1 316.445 3.188 20 0 DGADMP C([NH2+][C@@H]1CCOC12CCCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739423 627944557 /nfs/dbraw/zinc/94/45/57/627944557.db2.gz RTGJYNDQUUYBJV-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739449 627944630 /nfs/dbraw/zinc/94/46/30/627944630.db2.gz SFSKOYQUTGBEIX-DOTOQJQBSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739449 627944632 /nfs/dbraw/zinc/94/46/32/627944632.db2.gz SFSKOYQUTGBEIX-DOTOQJQBSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000926779007 627951639 /nfs/dbraw/zinc/95/16/39/627951639.db2.gz UMBPWRBSSIUJDJ-GGPKGHCWSA-N 2 1 323.484 3.370 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000817893900 627954435 /nfs/dbraw/zinc/95/44/35/627954435.db2.gz HRRLVOPFVLLCTO-ACJLOTCBSA-N 2 1 313.445 3.176 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894281 627954558 /nfs/dbraw/zinc/95/45/58/627954558.db2.gz LDHSLFWTUUCYGT-BZSNNMDCSA-N 2 1 304.478 3.138 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)c2ccccc21 ZINC000817905329 627958326 /nfs/dbraw/zinc/95/83/26/627958326.db2.gz FXTLIJYDWORNOL-BZUAXINKSA-N 2 1 320.795 3.247 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000817916665 627960460 /nfs/dbraw/zinc/96/04/60/627960460.db2.gz JJPKJXXEPDIEHA-IXDOHACOSA-N 2 1 320.795 3.247 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21)C1C[NH2+]C1 ZINC000817927011 627964265 /nfs/dbraw/zinc/96/42/65/627964265.db2.gz XPUNFIALOZGSEW-PRHODGIISA-N 2 1 301.217 3.015 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C3CC4(C3)CCCC4)C2)[C@H]1C(C)C ZINC000926877698 627967832 /nfs/dbraw/zinc/96/78/32/627967832.db2.gz CZMKFWAYUQDTDD-SOAMZJECSA-N 2 1 320.521 3.169 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817959675 627974923 /nfs/dbraw/zinc/97/49/23/627974923.db2.gz FZDWMOWMXSWBLK-OAHLLOKOSA-N 3 1 319.493 3.069 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1ccccc1 ZINC000817964640 627977059 /nfs/dbraw/zinc/97/70/59/627977059.db2.gz GWHJJKJSQYGYPR-HNAYVOBHSA-N 2 1 312.461 3.221 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC000818946152 628065035 /nfs/dbraw/zinc/06/50/35/628065035.db2.gz ZLFBEOFLRZFJED-FQEVSTJZSA-N 2 1 310.441 3.090 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1F ZINC000818959293 628067535 /nfs/dbraw/zinc/06/75/35/628067535.db2.gz HNKGCECTQJBIHN-YJBOKZPZSA-N 2 1 308.441 3.103 20 0 DGADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)[nH+]c1 ZINC000819129362 628097476 /nfs/dbraw/zinc/09/74/76/628097476.db2.gz HJYPZSYYFHGUIU-GOSISDBHSA-N 2 1 313.445 3.132 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819183683 628108137 /nfs/dbraw/zinc/10/81/37/628108137.db2.gz XZJCCSURKBZZTG-MAUKXSAKSA-N 2 1 324.896 3.331 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000819183328 628108355 /nfs/dbraw/zinc/10/83/55/628108355.db2.gz VBONHDVOCLWIRY-UYAOXDASSA-N 2 1 318.505 3.294 20 0 DGADMP CC(C)N1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820814342 628300116 /nfs/dbraw/zinc/30/01/16/628300116.db2.gz IWKMVEVTEWMOBW-MRXNPFEDSA-N 2 1 303.494 3.272 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820814342 628300118 /nfs/dbraw/zinc/30/01/18/628300118.db2.gz IWKMVEVTEWMOBW-MRXNPFEDSA-N 2 1 303.494 3.272 20 0 DGADMP Fc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CCO2 ZINC000820840863 628303534 /nfs/dbraw/zinc/30/35/34/628303534.db2.gz DERVAUMMQJNPOW-NPVYPNSJSA-N 2 1 316.420 3.397 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CCO2 ZINC000820840863 628303535 /nfs/dbraw/zinc/30/35/35/628303535.db2.gz DERVAUMMQJNPOW-NPVYPNSJSA-N 2 1 316.420 3.397 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CCO2 ZINC000820840863 628303538 /nfs/dbraw/zinc/30/35/38/628303538.db2.gz DERVAUMMQJNPOW-NPVYPNSJSA-N 2 1 316.420 3.397 20 0 DGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000822476581 628455914 /nfs/dbraw/zinc/45/59/14/628455914.db2.gz PPYSAGKOXCJHDV-KZNAEPCWSA-N 2 1 304.503 3.382 20 0 DGADMP CC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000822920012 628509288 /nfs/dbraw/zinc/50/92/88/628509288.db2.gz OCBZODLFJPFTQE-MRXNPFEDSA-N 2 1 314.433 3.378 20 0 DGADMP Fc1c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489611 628567912 /nfs/dbraw/zinc/56/79/12/628567912.db2.gz JMUSJLDQJKZLGQ-IUODEOHRSA-N 2 1 323.843 3.323 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCC[C@H]1C ZINC000823850386 628602774 /nfs/dbraw/zinc/60/27/74/628602774.db2.gz BEFIOTOTNICZSQ-FPAYPSAMSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000827177146 628932100 /nfs/dbraw/zinc/93/21/00/628932100.db2.gz DNPWYGXRNMNJLR-KDOFPFPSSA-N 2 1 315.461 3.127 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000827177147 628932209 /nfs/dbraw/zinc/93/22/09/628932209.db2.gz DNPWYGXRNMNJLR-KSSFIOAISA-N 2 1 315.461 3.127 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443774 629157523 /nfs/dbraw/zinc/15/75/23/629157523.db2.gz DWQORVAGQUKISB-LJQANCHMSA-N 2 1 316.489 3.052 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000835062389 629841844 /nfs/dbraw/zinc/84/18/44/629841844.db2.gz OMAFEVBXWPKFRD-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841009946 630395271 /nfs/dbraw/zinc/39/52/71/630395271.db2.gz QYFPOHHHTUFBTE-MDZRGWNJSA-N 2 1 322.468 3.205 20 0 DGADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841051709 630402398 /nfs/dbraw/zinc/40/23/98/630402398.db2.gz QTBPCRILJGTTLS-ZDUSSCGKSA-N 2 1 320.868 3.278 20 0 DGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCc2ccccc2F)cc1)C1CC1 ZINC000841051236 630402460 /nfs/dbraw/zinc/40/24/60/630402460.db2.gz WYHPHXALKZVWHM-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000842471455 630538858 /nfs/dbraw/zinc/53/88/58/630538858.db2.gz CEVYLDIWXZUXSM-CRAIPNDOSA-N 2 1 310.441 3.357 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nc([C@H](C)C[NH2+]C)no2)cc1)C(C)C ZINC000842584857 630550465 /nfs/dbraw/zinc/55/04/65/630550465.db2.gz ZYPKNRMTXVXNOL-CQSZACIVSA-N 2 1 316.449 3.290 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673678 630561483 /nfs/dbraw/zinc/56/14/83/630561483.db2.gz PMAXQSKYRWXEPE-RTBURBONSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673678 630561484 /nfs/dbraw/zinc/56/14/84/630561484.db2.gz PMAXQSKYRWXEPE-RTBURBONSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842687449 630563214 /nfs/dbraw/zinc/56/32/14/630563214.db2.gz YPLXESAIFJOAOM-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842687449 630563217 /nfs/dbraw/zinc/56/32/17/630563217.db2.gz YPLXESAIFJOAOM-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1OC(C)C ZINC000843056584 630609240 /nfs/dbraw/zinc/60/92/40/630609240.db2.gz RDPHZXQXSVIDTC-UHFFFAOYSA-N 2 1 306.450 3.184 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000843065275 630610697 /nfs/dbraw/zinc/61/06/97/630610697.db2.gz KLFAQRRIOTVTJD-YZGWKJHDSA-N 2 1 316.489 3.354 20 0 DGADMP CCCCn1nc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC000843124830 630616433 /nfs/dbraw/zinc/61/64/33/630616433.db2.gz IMEXPEHTMIKZOY-GASCZTMLSA-N 2 1 324.900 3.076 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cnc1Cl ZINC000843128430 630617097 /nfs/dbraw/zinc/61/70/97/630617097.db2.gz XKYGZAKWWSUNTP-HOTGVXAUSA-N 2 1 307.869 3.255 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000843128875 630617326 /nfs/dbraw/zinc/61/73/26/630617326.db2.gz YFUJAPHEADLDNA-CABCVRRESA-N 2 1 307.507 3.478 20 0 DGADMP C[C@H]([NH2+]C1CC1)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843182061 630628798 /nfs/dbraw/zinc/62/87/98/630628798.db2.gz VQYPSUYQESDTFZ-ZDUSSCGKSA-N 2 1 312.417 3.145 20 0 DGADMP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843342430 630647841 /nfs/dbraw/zinc/64/78/41/630647841.db2.gz QOWBAYMQDMGVOL-PKOBYXMFSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000843342430 630647844 /nfs/dbraw/zinc/64/78/44/630647844.db2.gz QOWBAYMQDMGVOL-PKOBYXMFSA-N 2 1 303.494 3.006 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348356 630648255 /nfs/dbraw/zinc/64/82/55/630648255.db2.gz KRZNDYWYZCLNFD-LLVKDONJSA-N 2 1 320.380 3.088 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348356 630648257 /nfs/dbraw/zinc/64/82/57/630648257.db2.gz KRZNDYWYZCLNFD-LLVKDONJSA-N 2 1 320.380 3.088 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000843358856 630649134 /nfs/dbraw/zinc/64/91/34/630649134.db2.gz WNOKQIAIDZVMLC-HNNXBMFYSA-N 2 1 311.267 3.066 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(=O)oc2c1C ZINC000843354855 630649641 /nfs/dbraw/zinc/64/96/41/630649641.db2.gz QTHCRIXJWFIGJR-KRWDZBQOSA-N 2 1 316.445 3.215 20 0 DGADMP Cc1ccc2c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(=O)oc2c1C ZINC000843354855 630649644 /nfs/dbraw/zinc/64/96/44/630649644.db2.gz QTHCRIXJWFIGJR-KRWDZBQOSA-N 2 1 316.445 3.215 20 0 DGADMP C[N@@H+](Cc1csc(Cc2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000844220559 630712822 /nfs/dbraw/zinc/71/28/22/630712822.db2.gz HXNADVOOAXLOFG-UHFFFAOYSA-N 2 1 315.486 3.436 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000844910858 630977031 /nfs/dbraw/zinc/97/70/31/630977031.db2.gz KJVWBURLMFRDTH-YUELXQCFSA-N 2 1 314.882 3.262 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000846219866 631215453 /nfs/dbraw/zinc/21/54/53/631215453.db2.gz ADZLXCUIZSBNNA-ICSRJNTNSA-N 2 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000846219866 631215454 /nfs/dbraw/zinc/21/54/54/631215454.db2.gz ADZLXCUIZSBNNA-ICSRJNTNSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000846219866 631215456 /nfs/dbraw/zinc/21/54/56/631215456.db2.gz ADZLXCUIZSBNNA-ICSRJNTNSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219866 631215457 /nfs/dbraw/zinc/21/54/57/631215457.db2.gz ADZLXCUIZSBNNA-ICSRJNTNSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219866 631215458 /nfs/dbraw/zinc/21/54/58/631215458.db2.gz ADZLXCUIZSBNNA-ICSRJNTNSA-N 3 1 317.521 3.490 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000846219298 631215506 /nfs/dbraw/zinc/21/55/06/631215506.db2.gz NQJJKSGHEQTNAS-INIZCTEOSA-N 2 1 306.425 3.240 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOC2CCCCCC2)C1 ZINC000846226785 631215843 /nfs/dbraw/zinc/21/58/43/631215843.db2.gz BUJYPPNWUYKPSL-QRQLOZEOSA-N 2 1 324.509 3.087 20 0 DGADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000848514198 631673089 /nfs/dbraw/zinc/67/30/89/631673089.db2.gz LDWKSAITSNCLAR-OFGIBPIPSA-N 2 1 318.505 3.046 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000849110608 631838555 /nfs/dbraw/zinc/83/85/55/631838555.db2.gz JEHHFKZPBXCUBK-MRXNPFEDSA-N 2 1 302.466 3.306 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000849349608 631900608 /nfs/dbraw/zinc/90/06/08/631900608.db2.gz CJZPZOUDBYQXPY-WQANXHIZSA-N 2 1 320.452 3.066 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cnc1Cl ZINC000849350131 631900896 /nfs/dbraw/zinc/90/08/96/631900896.db2.gz KREXWXDSLZMSLQ-MRXNPFEDSA-N 2 1 307.869 3.255 20 0 DGADMP COc1cncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000850253220 632095003 /nfs/dbraw/zinc/09/50/03/632095003.db2.gz ZXKZCZHTMOYCSP-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC3(CC3(F)F)CC2)s1 ZINC000850391675 632136848 /nfs/dbraw/zinc/13/68/48/632136848.db2.gz WPQKRMMBOFXBFA-UHFFFAOYSA-N 2 1 315.433 3.262 20 0 DGADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850558482 632192864 /nfs/dbraw/zinc/19/28/64/632192864.db2.gz SNXYPUMRDIRSPL-OAHLLOKOSA-N 2 1 317.260 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1SCCS1 ZINC000850559741 632193682 /nfs/dbraw/zinc/19/36/82/632193682.db2.gz FSKJYQKVXOZWAB-ZBFHGGJFSA-N 2 1 322.543 3.293 20 0 DGADMP Cc1nnsc1[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929260098 660479501 /nfs/dbraw/zinc/47/95/01/660479501.db2.gz ATSNSTDQHXKZMZ-HNNXBMFYSA-N 2 1 322.522 3.496 20 0 DGADMP COc1cncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000700060893 660611936 /nfs/dbraw/zinc/61/19/36/660611936.db2.gz RYGLBYMJBHHJJH-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP COc1cncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000700060893 660611938 /nfs/dbraw/zinc/61/19/38/660611938.db2.gz RYGLBYMJBHHJJH-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034438026 660754590 /nfs/dbraw/zinc/75/45/90/660754590.db2.gz JZZGCDAHTOTGMH-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C(C)C)CC1 ZINC001034775925 660790794 /nfs/dbraw/zinc/79/07/94/660790794.db2.gz VNLPNARNAJUELA-KZNAEPCWSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708523850 660924077 /nfs/dbraw/zinc/92/40/77/660924077.db2.gz RTWXPOJJJUYIHE-KVPLUYHFSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)o1 ZINC000793242436 661017007 /nfs/dbraw/zinc/01/70/07/661017007.db2.gz QBEWZVHTOYWQGB-BGYRXZFFSA-N 2 1 310.441 3.460 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)o1 ZINC000793242436 661017008 /nfs/dbraw/zinc/01/70/08/661017008.db2.gz QBEWZVHTOYWQGB-BGYRXZFFSA-N 2 1 310.441 3.460 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)o1 ZINC000793242436 661017010 /nfs/dbraw/zinc/01/70/10/661017010.db2.gz QBEWZVHTOYWQGB-BGYRXZFFSA-N 2 1 310.441 3.460 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)o1 ZINC000793242436 661017012 /nfs/dbraw/zinc/01/70/12/661017012.db2.gz QBEWZVHTOYWQGB-BGYRXZFFSA-N 2 1 310.441 3.460 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156608 655529457 /nfs/dbraw/zinc/52/94/57/655529457.db2.gz YBZRUXIPQFEDER-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156608 655529459 /nfs/dbraw/zinc/52/94/59/655529459.db2.gz YBZRUXIPQFEDER-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156608 655529461 /nfs/dbraw/zinc/52/94/61/655529461.db2.gz YBZRUXIPQFEDER-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C1CC1[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707621 655935215 /nfs/dbraw/zinc/93/52/15/655935215.db2.gz RRSGQQNOHJIDND-HKUYNNGSSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707621 655935216 /nfs/dbraw/zinc/93/52/16/655935216.db2.gz RRSGQQNOHJIDND-HKUYNNGSSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1noc(C)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236665339 656081150 /nfs/dbraw/zinc/08/11/50/656081150.db2.gz WRKCONBEEBDSLE-UHFFFAOYSA-N 2 1 301.434 3.421 20 0 DGADMP Cc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309674352 656113596 /nfs/dbraw/zinc/11/35/96/656113596.db2.gz VMLMTLTZCLDZDD-FQEVSTJZSA-N 2 1 309.457 3.392 20 0 DGADMP C[C@H]([NH3+])[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707618 656226939 /nfs/dbraw/zinc/22/69/39/656226939.db2.gz PKOCUZPMBDGPAF-IEZWGBDMSA-N 2 1 301.478 3.072 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000318985181 656880556 /nfs/dbraw/zinc/88/05/56/656880556.db2.gz KNMIKKACFPVZNR-INIZCTEOSA-N 2 1 300.450 3.253 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000318985181 656880560 /nfs/dbraw/zinc/88/05/60/656880560.db2.gz KNMIKKACFPVZNR-INIZCTEOSA-N 2 1 300.450 3.253 20 0 DGADMP C[N@H+](Cc1cccc(N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261674462 656960545 /nfs/dbraw/zinc/96/05/45/656960545.db2.gz KWIKWNRXLCONNB-IBGZPJMESA-N 2 1 309.457 3.223 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(SC(F)(F)F)cc3)C[C@H]12 ZINC000261807863 657109590 /nfs/dbraw/zinc/10/95/90/657109590.db2.gz ZIWCLDWZUJRXKB-KWCYVHTRSA-N 2 1 316.392 3.468 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957357 657256537 /nfs/dbraw/zinc/25/65/37/657256537.db2.gz OTWVTFDUIITHHP-GXTWGEPZSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261957357 657256543 /nfs/dbraw/zinc/25/65/43/657256543.db2.gz OTWVTFDUIITHHP-GXTWGEPZSA-N 2 1 308.853 3.298 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000262132316 657392385 /nfs/dbraw/zinc/39/23/85/657392385.db2.gz LOSVKSHZRNMPLI-BHIYHBOVSA-N 2 1 303.494 3.190 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968857387 657503529 /nfs/dbraw/zinc/50/35/29/657503529.db2.gz XIVAFPGOHQWMBS-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000720883898 658228104 /nfs/dbraw/zinc/22/81/04/658228104.db2.gz YWNDSWYNRFUTKS-HOJAQTOUSA-N 2 1 314.473 3.198 20 0 DGADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964015732 658259429 /nfs/dbraw/zinc/25/94/29/658259429.db2.gz YCNDQOLZDITZQP-DAWZGUTISA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261548677 658402065 /nfs/dbraw/zinc/40/20/65/658402065.db2.gz NVGMXQNUFBQLLT-QFBILLFUSA-N 2 1 310.441 3.435 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCCCCO)C2)CC1 ZINC000173594004 659393151 /nfs/dbraw/zinc/39/31/51/659393151.db2.gz OMLLXMDVRLZTNE-IBGZPJMESA-N 2 1 310.526 3.373 20 0 DGADMP c1cc(SCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000930060495 659901903 /nfs/dbraw/zinc/90/19/03/659901903.db2.gz JNDNNXHESGXQCD-YJBOKZPZSA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000930060495 659901906 /nfs/dbraw/zinc/90/19/06/659901906.db2.gz JNDNNXHESGXQCD-YJBOKZPZSA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000930060495 659901908 /nfs/dbraw/zinc/90/19/08/659901908.db2.gz JNDNNXHESGXQCD-YJBOKZPZSA-N 2 1 317.502 3.122 20 0 DGADMP Fc1cccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930061226 659902126 /nfs/dbraw/zinc/90/21/26/659902126.db2.gz PDZCYFGDVFVBNQ-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930061226 659902127 /nfs/dbraw/zinc/90/21/27/659902127.db2.gz PDZCYFGDVFVBNQ-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930061226 659902128 /nfs/dbraw/zinc/90/21/28/659902128.db2.gz PDZCYFGDVFVBNQ-VQIMIIECSA-N 2 1 302.437 3.317 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)oc21 ZINC000069752042 660019455 /nfs/dbraw/zinc/01/94/55/660019455.db2.gz VVRUEOSOAUQJBR-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2snnc2C)CC1 ZINC000929295353 661294830 /nfs/dbraw/zinc/29/48/30/661294830.db2.gz GRXOQVZJUAWWBI-AWEZNQCLSA-N 2 1 310.511 3.351 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642942 661324112 /nfs/dbraw/zinc/32/41/12/661324112.db2.gz CKZHRBXFVAEZOW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642942 661324115 /nfs/dbraw/zinc/32/41/15/661324115.db2.gz CKZHRBXFVAEZOW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000929642942 661324118 /nfs/dbraw/zinc/32/41/18/661324118.db2.gz CKZHRBXFVAEZOW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000929642942 661324121 /nfs/dbraw/zinc/32/41/21/661324121.db2.gz CKZHRBXFVAEZOW-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929688396 661328739 /nfs/dbraw/zinc/32/87/39/661328739.db2.gz REJJHAKZAJNQLC-QZTJIDSGSA-N 2 1 306.494 3.429 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929688398 661328967 /nfs/dbraw/zinc/32/89/67/661328967.db2.gz REJJHAKZAJNQLC-ZWKOTPCHSA-N 2 1 306.494 3.429 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000929808068 661340675 /nfs/dbraw/zinc/34/06/75/661340675.db2.gz REZBVSKWVRFZCV-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000929808068 661340677 /nfs/dbraw/zinc/34/06/77/661340677.db2.gz REZBVSKWVRFZCV-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808068 661340679 /nfs/dbraw/zinc/34/06/79/661340679.db2.gz REZBVSKWVRFZCV-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC2CC2)CC[NH+]1Cc1ccccc1 ZINC000929808068 661340680 /nfs/dbraw/zinc/34/06/80/661340680.db2.gz REZBVSKWVRFZCV-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP COC/C(C)=C/C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930170052 661373134 /nfs/dbraw/zinc/37/31/34/661373134.db2.gz QXHUUDOGCKZFBS-UBKPWBPPSA-N 2 1 317.477 3.213 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000930578251 661412594 /nfs/dbraw/zinc/41/25/94/661412594.db2.gz RJYRBNKVVMNTHI-KZNAEPCWSA-N 2 1 320.427 3.453 20 0 DGADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C ZINC000930804692 661430926 /nfs/dbraw/zinc/43/09/26/661430926.db2.gz MRFQJZNUEMUANE-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP CCCC[N@@H+](Cc1cnn(C)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033397 661446950 /nfs/dbraw/zinc/44/69/50/661446950.db2.gz RDSKAKHJCXBBLS-UHFFFAOYSA-N 2 1 306.498 3.331 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931375807 661472333 /nfs/dbraw/zinc/47/23/33/661472333.db2.gz LPJIJTANNFQCRU-OAHLLOKOSA-N 2 1 323.444 3.109 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931375807 661472335 /nfs/dbraw/zinc/47/23/35/661472335.db2.gz LPJIJTANNFQCRU-OAHLLOKOSA-N 2 1 323.444 3.109 20 0 DGADMP CC(=O)c1c(C)cc(C)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1C ZINC000931431401 661475697 /nfs/dbraw/zinc/47/56/97/661475697.db2.gz XCKWDKSBVXACKD-MSOLQXFVSA-N 2 1 314.473 3.198 20 0 DGADMP CC(=O)c1c(C)cc(C)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1C ZINC000931431401 661475699 /nfs/dbraw/zinc/47/56/99/661475699.db2.gz XCKWDKSBVXACKD-MSOLQXFVSA-N 2 1 314.473 3.198 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)C[C@@H]2C1 ZINC000931437890 661476296 /nfs/dbraw/zinc/47/62/96/661476296.db2.gz DBRFYXNIKWYDJJ-AEFFLSMTSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]2C1 ZINC000931437890 661476298 /nfs/dbraw/zinc/47/62/98/661476298.db2.gz DBRFYXNIKWYDJJ-AEFFLSMTSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]2C1 ZINC000931437890 661476300 /nfs/dbraw/zinc/47/63/00/661476300.db2.gz DBRFYXNIKWYDJJ-AEFFLSMTSA-N 2 1 323.440 3.257 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)o1 ZINC000931436534 661476337 /nfs/dbraw/zinc/47/63/37/661476337.db2.gz RTOULIVKVCSBBC-CVEARBPZSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)o1 ZINC000931436534 661476339 /nfs/dbraw/zinc/47/63/39/661476339.db2.gz RTOULIVKVCSBBC-CVEARBPZSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931436534 661476340 /nfs/dbraw/zinc/47/63/40/661476340.db2.gz RTOULIVKVCSBBC-CVEARBPZSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931436534 661476342 /nfs/dbraw/zinc/47/63/42/661476342.db2.gz RTOULIVKVCSBBC-CVEARBPZSA-N 2 1 311.429 3.034 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000931703646 661499770 /nfs/dbraw/zinc/49/97/70/661499770.db2.gz LSLORRREJOYOSP-GJZGRUSLSA-N 2 1 322.415 3.294 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000931704660 661499980 /nfs/dbraw/zinc/49/99/80/661499980.db2.gz YLQYTBUYPFNICC-MUJYYYPQSA-N 2 1 300.437 3.476 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCSc3ccncc3)CC2)[nH+]c1C ZINC000931749929 661505457 /nfs/dbraw/zinc/50/54/57/661505457.db2.gz XHWYRTKEJNMUHK-UHFFFAOYSA-N 2 1 316.474 3.393 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931807794 661511307 /nfs/dbraw/zinc/51/13/07/661511307.db2.gz APIKBUVUGWXAHQ-MJGOQNOKSA-N 2 1 312.457 3.118 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931807794 661511309 /nfs/dbraw/zinc/51/13/09/661511309.db2.gz APIKBUVUGWXAHQ-MJGOQNOKSA-N 2 1 312.457 3.118 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931807796 661511414 /nfs/dbraw/zinc/51/14/14/661511414.db2.gz APIKBUVUGWXAHQ-PKOBYXMFSA-N 2 1 312.457 3.118 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931807796 661511416 /nfs/dbraw/zinc/51/14/16/661511416.db2.gz APIKBUVUGWXAHQ-PKOBYXMFSA-N 2 1 312.457 3.118 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC000935581316 661794751 /nfs/dbraw/zinc/79/47/51/661794751.db2.gz MQVUPWFSFRMOSD-SFHVURJKSA-N 2 1 317.477 3.340 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000075681715 661941888 /nfs/dbraw/zinc/94/18/88/661941888.db2.gz OCJFTEDLBVIROE-QGZVFWFLSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000075681715 661941889 /nfs/dbraw/zinc/94/18/89/661941889.db2.gz OCJFTEDLBVIROE-QGZVFWFLSA-N 2 1 310.869 3.178 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081633332 662170471 /nfs/dbraw/zinc/17/04/71/662170471.db2.gz ZTCFCDBCYJCEAR-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081633332 662170472 /nfs/dbraw/zinc/17/04/72/662170472.db2.gz ZTCFCDBCYJCEAR-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081633332 662170473 /nfs/dbraw/zinc/17/04/73/662170473.db2.gz ZTCFCDBCYJCEAR-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081633332 662170474 /nfs/dbraw/zinc/17/04/74/662170474.db2.gz ZTCFCDBCYJCEAR-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095158 662247394 /nfs/dbraw/zinc/24/73/94/662247394.db2.gz IWYVBQHUQGTFJX-DZGCQCFKSA-N 2 1 318.852 3.063 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719500423 662290898 /nfs/dbraw/zinc/29/08/98/662290898.db2.gz MHROXMXODOAMRX-JTQLQIEISA-N 2 1 317.658 3.273 20 0 DGADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)c1ccc(F)cc1 ZINC000248133033 662334863 /nfs/dbraw/zinc/33/48/63/662334863.db2.gz WVSQEHPBADNJBZ-RBUKOAKNSA-N 2 1 322.468 3.301 20 0 DGADMP CC(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1 ZINC000248133033 662334865 /nfs/dbraw/zinc/33/48/65/662334865.db2.gz WVSQEHPBADNJBZ-RBUKOAKNSA-N 2 1 322.468 3.301 20 0 DGADMP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](O)c1ccc(F)cc1 ZINC000248133033 662334866 /nfs/dbraw/zinc/33/48/66/662334866.db2.gz WVSQEHPBADNJBZ-RBUKOAKNSA-N 2 1 322.468 3.301 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000384958506 685173074 /nfs/dbraw/zinc/17/30/74/685173074.db2.gz NAQTZAVRRNGKJK-HXUWFJFHSA-N 2 1 309.457 3.392 20 0 DGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CCCC1)c1ccccc1 ZINC000385858857 685175624 /nfs/dbraw/zinc/17/56/24/685175624.db2.gz GGMXSZKGEBFRMP-QGZVFWFLSA-N 2 1 302.466 3.126 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000389953024 685198515 /nfs/dbraw/zinc/19/85/15/685198515.db2.gz VAECTHIEVWJRPT-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000389953024 685198519 /nfs/dbraw/zinc/19/85/19/685198519.db2.gz VAECTHIEVWJRPT-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000393944426 685219932 /nfs/dbraw/zinc/21/99/32/685219932.db2.gz NQHVBXQXIUQVKV-UHFFFAOYSA-N 2 1 303.494 3.102 20 0 DGADMP C[N@H+](CCCCCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000393944426 685219935 /nfs/dbraw/zinc/21/99/35/685219935.db2.gz NQHVBXQXIUQVKV-UHFFFAOYSA-N 3 1 303.494 3.102 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000393944426 685219938 /nfs/dbraw/zinc/21/99/38/685219938.db2.gz NQHVBXQXIUQVKV-UHFFFAOYSA-N 3 1 303.494 3.102 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396936978 685229079 /nfs/dbraw/zinc/22/90/79/685229079.db2.gz ZPIMBBSBLWUDIU-IEBWSBKVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC001576598840 1191851182 /nfs/dbraw/zinc/85/11/82/1191851182.db2.gz OOPDGEXYGVFNLJ-JEIKXUOUSA-N 2 1 316.489 3.315 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597305 1191852442 /nfs/dbraw/zinc/85/24/42/1191852442.db2.gz FIGKWJHJAZAVSE-IXDOHACOSA-N 2 1 318.509 3.206 20 0 DGADMP CCC(CC)([NH2+]C[C@@H](O)C[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC001577060555 1191882103 /nfs/dbraw/zinc/88/21/03/1191882103.db2.gz DTUXJPBXQOHTFE-LBPRGKRZSA-N 2 1 319.276 3.179 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCC1([NH3+])CCOCC1 ZINC001577096720 1191884101 /nfs/dbraw/zinc/88/41/01/1191884101.db2.gz WTEZGLCQIJTJMF-SFHVURJKSA-N 2 1 304.478 3.228 20 0 DGADMP CCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ncsc2C1 ZINC001577457922 1191903248 /nfs/dbraw/zinc/90/32/48/1191903248.db2.gz KAVOREMNUNWVPD-CABCVRRESA-N 2 1 307.507 3.102 20 0 DGADMP CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)CC1CC[NH2+]CC1 ZINC001577743601 1191914115 /nfs/dbraw/zinc/91/41/15/1191914115.db2.gz WYLSGIXSVBZCPW-ZDUSSCGKSA-N 2 1 307.507 3.089 20 0 DGADMP C[N@@H+](CC/C=C/c1ccc(Br)cc1)C1CC([NH3+])C1 ZINC001578463761 1191945220 /nfs/dbraw/zinc/94/52/20/1191945220.db2.gz QOVMAWKSLSNAMK-DUXPYHPUSA-N 2 1 309.251 3.274 20 0 DGADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Oc2ccccc2)c(F)c1 ZINC001578476979 1191945741 /nfs/dbraw/zinc/94/57/41/1191945741.db2.gz DCDGNBPTHWIIKU-UHFFFAOYSA-N 2 1 318.392 3.025 20 0 DGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)CC1(C[NH3+])CCC1 ZINC001578496731 1191946847 /nfs/dbraw/zinc/94/68/47/1191946847.db2.gz QPXLMZMHISMJNW-UHFFFAOYSA-N 2 1 302.340 3.146 20 0 DGADMP C[N@@H+](Cc1ccccc1OC(F)(F)F)CC1(C[NH3+])CCC1 ZINC001578496731 1191946850 /nfs/dbraw/zinc/94/68/50/1191946850.db2.gz QPXLMZMHISMJNW-UHFFFAOYSA-N 2 1 302.340 3.146 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC001578528034 1191947187 /nfs/dbraw/zinc/94/71/87/1191947187.db2.gz BJLKOOHRRNYRJO-MRXNPFEDSA-N 2 1 324.472 3.152 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC001578528034 1191947192 /nfs/dbraw/zinc/94/71/92/1191947192.db2.gz BJLKOOHRRNYRJO-MRXNPFEDSA-N 2 1 324.472 3.152 20 0 DGADMP CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C[NH3+])cc2)CC1 ZINC001578524863 1191947417 /nfs/dbraw/zinc/94/74/17/1191947417.db2.gz KRYXAEBQGGGTTP-UHFFFAOYSA-N 2 1 323.484 3.242 20 0 DGADMP C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc(C[NH3+])cc2)CC1 ZINC001578524863 1191947420 /nfs/dbraw/zinc/94/74/20/1191947420.db2.gz KRYXAEBQGGGTTP-UHFFFAOYSA-N 2 1 323.484 3.242 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1Cl ZINC001579216073 1191969363 /nfs/dbraw/zinc/96/93/63/1191969363.db2.gz BCSUMFHNFCODIF-UHOFOFEASA-N 2 1 308.853 3.215 20 0 DGADMP COc1ccc(C[NH2+]C2(C[NH3+])CCCC2)cc1OCC(C)C ZINC001579216264 1191969390 /nfs/dbraw/zinc/96/93/90/1191969390.db2.gz LFFAIALMRFJAON-UHFFFAOYSA-N 2 1 306.450 3.091 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001579223408 1191969452 /nfs/dbraw/zinc/96/94/52/1191969452.db2.gz HLEBVMMQVLSDPP-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP CSc1ccc(OCC[N@H+](C)C2(C[NH3+])CCCCC2)cc1 ZINC001579392588 1191975106 /nfs/dbraw/zinc/97/51/06/1191975106.db2.gz BPKCPGYLXKQRPF-UHFFFAOYSA-N 2 1 308.491 3.381 20 0 DGADMP CSc1ccc(OCC[N@@H+](C)C2(C[NH3+])CCCCC2)cc1 ZINC001579392588 1191975108 /nfs/dbraw/zinc/97/51/08/1191975108.db2.gz BPKCPGYLXKQRPF-UHFFFAOYSA-N 2 1 308.491 3.381 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001579552972 1191979535 /nfs/dbraw/zinc/97/95/35/1191979535.db2.gz SSCUHHWYFKBCMZ-CHWSQXEVSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1cc(C2C[NH2+]C2)no1 ZINC001579613763 1191982273 /nfs/dbraw/zinc/98/22/73/1191982273.db2.gz LDQOQCLWKXNBTQ-GOSISDBHSA-N 2 1 315.392 3.146 20 0 DGADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1cc(C2C[NH2+]C2)no1 ZINC001579613763 1191982275 /nfs/dbraw/zinc/98/22/75/1191982275.db2.gz LDQOQCLWKXNBTQ-GOSISDBHSA-N 2 1 315.392 3.146 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC001579635267 1191983005 /nfs/dbraw/zinc/98/30/05/1191983005.db2.gz CJRLQAMFALVSEB-BZUAXINKSA-N 2 1 302.466 3.321 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001579656634 1191984691 /nfs/dbraw/zinc/98/46/91/1191984691.db2.gz ZOZKGMDTDBXLRL-SFHVURJKSA-N 2 1 312.461 3.192 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001579785656 1191993466 /nfs/dbraw/zinc/99/34/66/1191993466.db2.gz WCTNSAXBPPIYBC-RTBURBONSA-N 2 1 324.472 3.157 20 0 DGADMP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1CCC1C[NH2+]C1 ZINC001579895734 1191998215 /nfs/dbraw/zinc/99/82/15/1191998215.db2.gz SMODKHYGUXLINW-OAHLLOKOSA-N 2 1 324.900 3.247 20 0 DGADMP Cc1scc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC001579937589 1191999870 /nfs/dbraw/zinc/99/98/70/1191999870.db2.gz ZCDLELKDKMRDEU-UAGQMJEPSA-N 2 1 308.491 3.083 20 0 DGADMP Clc1ncc(C[NH+]2CCC([C@@H]3[NH2+]CC34CCC4)CC2)s1 ZINC001579939939 1192000342 /nfs/dbraw/zinc/00/03/42/1192000342.db2.gz HXUOPDUHLVRAAT-ZDUSSCGKSA-N 2 1 311.882 3.151 20 0 DGADMP Cn1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccc(Cl)cc21 ZINC001579961730 1192001283 /nfs/dbraw/zinc/00/12/83/1192001283.db2.gz SNZWEUDDTXUTJH-QGZVFWFLSA-N 2 1 317.864 3.248 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c2ccc(Cl)cc21 ZINC001579961729 1192001323 /nfs/dbraw/zinc/00/13/23/1192001323.db2.gz SNZWEUDDTXUTJH-KRWDZBQOSA-N 2 1 317.864 3.248 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)C12CCC2 ZINC001580165250 1192011502 /nfs/dbraw/zinc/01/15/02/1192011502.db2.gz UIAKZTKAYWEEKZ-OTWHNJEPSA-N 2 1 307.441 3.225 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C[C@@H]21 ZINC001580177901 1192012292 /nfs/dbraw/zinc/01/22/92/1192012292.db2.gz YYGCKBMGXHUZIZ-OWCLPIDISA-N 2 1 312.379 3.351 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC001580215263 1192014033 /nfs/dbraw/zinc/01/40/33/1192014033.db2.gz GOQYECGZIMABBH-XUVXKRRUSA-N 2 1 316.489 3.228 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CCCC1 ZINC001580228758 1192014983 /nfs/dbraw/zinc/01/49/83/1192014983.db2.gz FBFPGTXPNMEUCE-GJZGRUSLSA-N 2 1 317.260 3.134 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC[C@H](O)c2ccccc2)CCC1 ZINC001580240182 1192015748 /nfs/dbraw/zinc/01/57/48/1192015748.db2.gz RYZWQEMXQIINQT-ZWKOTPCHSA-N 2 1 302.462 3.094 20 0 DGADMP [NH3+]C[C@@]12C[N@@H+](CCCOCc3ccccc3)C[C@@H]1CCCC2 ZINC001580254208 1192016157 /nfs/dbraw/zinc/01/61/57/1192016157.db2.gz BCPWEJNYBPCHDI-OALUTQOASA-N 2 1 302.462 3.044 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c(F)c1 ZINC001580339271 1192022257 /nfs/dbraw/zinc/02/22/57/1192022257.db2.gz IWITWMUDNNUMSA-UHFFFAOYSA-N 2 1 322.387 3.031 20 0 DGADMP O[C@@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC001580877654 1192043395 /nfs/dbraw/zinc/04/33/95/1192043395.db2.gz CREMZJVWVVYJEI-WMZOPIPTSA-N 2 1 322.880 3.085 20 0 DGADMP O[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580878296 1192043447 /nfs/dbraw/zinc/04/34/47/1192043447.db2.gz NRERRUUYRZPTPP-XDLUSNJSSA-N 2 1 314.473 3.105 20 0 DGADMP c1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1C[NH+]1CCCCC1 ZINC001580887657 1192043805 /nfs/dbraw/zinc/04/38/05/1192043805.db2.gz CDNBIPCPSAUKHG-UHFFFAOYSA-N 3 1 313.489 3.000 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc3c2OCC3)C1 ZINC001620724266 1192075732 /nfs/dbraw/zinc/07/57/32/1192075732.db2.gz PDNLQLCLDIGOQO-IYBDPMFKSA-N 2 1 302.462 3.079 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc3c2OCC3)C1 ZINC001620724266 1192075735 /nfs/dbraw/zinc/07/57/35/1192075735.db2.gz PDNLQLCLDIGOQO-IYBDPMFKSA-N 2 1 302.462 3.079 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001620819690 1192155931 /nfs/dbraw/zinc/15/59/31/1192155931.db2.gz ZOHWZOYQJVYJBF-HOTGVXAUSA-N 2 1 308.853 3.237 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)CC1 ZINC001663767650 1196942713 /nfs/dbraw/zinc/94/27/13/1196942713.db2.gz MFGHFSOJSXXIDL-PBHICJAKSA-N 2 1 308.491 3.242 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001620897643 1192562469 /nfs/dbraw/zinc/56/24/69/1192562469.db2.gz QJWBBFCRLVORJA-CVEARBPZSA-N 2 1 312.461 3.077 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001620897643 1192562473 /nfs/dbraw/zinc/56/24/73/1192562473.db2.gz QJWBBFCRLVORJA-CVEARBPZSA-N 2 1 312.461 3.077 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001648813847 1176117332 /nfs/dbraw/zinc/11/73/32/1176117332.db2.gz BQJCYCGTCPMXSF-IAGOWNOFSA-N 2 1 303.494 3.210 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC000378929177 1176755255 /nfs/dbraw/zinc/75/52/55/1176755255.db2.gz WNCUUNFIEBWUOT-UYAOXDASSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000388855722 1176964389 /nfs/dbraw/zinc/96/43/89/1176964389.db2.gz GOQBUYIUCOCNPQ-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP COC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001332999343 1178536230 /nfs/dbraw/zinc/53/62/30/1178536230.db2.gz JPAKZYDVQSPXIX-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]2C1 ZINC001333891056 1178691350 /nfs/dbraw/zinc/69/13/50/1178691350.db2.gz IVWZVSUWRGAQLN-ABSDTBQOSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@H]2C1 ZINC001333893030 1178691904 /nfs/dbraw/zinc/69/19/04/1178691904.db2.gz WOWCRLLEYWVKHE-KBAYOESNSA-N 2 1 309.457 3.397 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(COC(C)=O)c2)C1 ZINC001334732510 1178787027 /nfs/dbraw/zinc/78/70/27/1178787027.db2.gz QJLVRIWHSAOLHF-MAUKXSAKSA-N 2 1 318.461 3.132 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257511 1178878875 /nfs/dbraw/zinc/87/88/75/1178878875.db2.gz VYJFRNLWYQWGBJ-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC001335257511 1178878887 /nfs/dbraw/zinc/87/88/87/1178878887.db2.gz VYJFRNLWYQWGBJ-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001335346577 1178898460 /nfs/dbraw/zinc/89/84/60/1178898460.db2.gz XZWWTCABCQIFAV-CTNGQTDRSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001335346577 1178898477 /nfs/dbraw/zinc/89/84/77/1178898477.db2.gz XZWWTCABCQIFAV-CTNGQTDRSA-N 2 1 324.468 3.065 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836591 1178961838 /nfs/dbraw/zinc/96/18/38/1178961838.db2.gz COPANXZVVJGGCB-CZUORRHYSA-N 2 1 318.465 3.067 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836591 1178961843 /nfs/dbraw/zinc/96/18/43/1178961843.db2.gz COPANXZVVJGGCB-CZUORRHYSA-N 2 1 318.465 3.067 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836588 1178961910 /nfs/dbraw/zinc/96/19/10/1178961910.db2.gz COPANXZVVJGGCB-CJNGLKHVSA-N 2 1 318.465 3.067 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836588 1178961913 /nfs/dbraw/zinc/96/19/13/1178961913.db2.gz COPANXZVVJGGCB-CJNGLKHVSA-N 2 1 318.465 3.067 20 0 DGADMP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1 ZINC001342899496 1179206235 /nfs/dbraw/zinc/20/62/35/1179206235.db2.gz YNSVSVZDCDYOJV-OPFPJEHXSA-N 2 1 306.400 3.285 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001345205658 1179543241 /nfs/dbraw/zinc/54/32/41/1179543241.db2.gz WPBQUNRLCLXODK-CGTJXYLNSA-N 2 1 302.462 3.250 20 0 DGADMP CCCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC001349582227 1179918748 /nfs/dbraw/zinc/91/87/48/1179918748.db2.gz WEZOEEZHPNQQQX-ZCNNSNEGSA-N 2 1 316.489 3.357 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001350357369 1180059669 /nfs/dbraw/zinc/05/96/69/1180059669.db2.gz BQVPESUMHWOIDZ-JZXOWHBKSA-N 2 1 302.462 3.468 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001352112395 1180297508 /nfs/dbraw/zinc/29/75/08/1180297508.db2.gz MUUMRJOUNUYFJE-RCCFBDPRSA-N 2 1 302.462 3.247 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1C ZINC001352112757 1180298057 /nfs/dbraw/zinc/29/80/57/1180298057.db2.gz OWABUBMAVJYHNS-RCCFBDPRSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC001200714807 1180846628 /nfs/dbraw/zinc/84/66/28/1180846628.db2.gz MOAZQVWHSGFJSA-UHFFFAOYSA-N 2 1 323.444 3.460 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCc3ccc(CC[NH+](C)C)cc3)c12 ZINC001472758515 1180851370 /nfs/dbraw/zinc/85/13/70/1180851370.db2.gz UVQUZJMEOOEVHS-UHFFFAOYSA-N 2 1 323.444 3.188 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001200821719 1180940196 /nfs/dbraw/zinc/94/01/96/1180940196.db2.gz PTIYZCGYQHGCBV-UHFFFAOYSA-N 2 1 324.472 3.469 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001364930420 1181683172 /nfs/dbraw/zinc/68/31/72/1181683172.db2.gz HXVAPJMZFNCKEM-CYBMUJFWSA-N 2 1 319.424 3.290 20 0 DGADMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001577051151 1181766608 /nfs/dbraw/zinc/76/66/08/1181766608.db2.gz IOLOCHBLOURCTI-OAHLLOKOSA-N 2 1 312.498 3.195 20 0 DGADMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001577051143 1181767346 /nfs/dbraw/zinc/76/73/46/1181767346.db2.gz IOLOCHBLOURCTI-HNNXBMFYSA-N 2 1 312.498 3.195 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001459574727 1182594607 /nfs/dbraw/zinc/59/46/07/1182594607.db2.gz PFXYCGBZUVLIGL-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[C@](O)(C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC001459586435 1182596889 /nfs/dbraw/zinc/59/68/89/1182596889.db2.gz TZUNDPGWWGGTRL-VQTJNVASSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@](O)(C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001459586435 1182596893 /nfs/dbraw/zinc/59/68/93/1182596893.db2.gz TZUNDPGWWGGTRL-VQTJNVASSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@](O)(C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001459586435 1182596896 /nfs/dbraw/zinc/59/68/96/1182596896.db2.gz TZUNDPGWWGGTRL-VQTJNVASSA-N 2 1 318.505 3.336 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017300 1182640330 /nfs/dbraw/zinc/64/03/30/1182640330.db2.gz CBWRXGIZHODYGZ-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017300 1182640333 /nfs/dbraw/zinc/64/03/33/1182640333.db2.gz CBWRXGIZHODYGZ-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017300 1182640338 /nfs/dbraw/zinc/64/03/38/1182640338.db2.gz CBWRXGIZHODYGZ-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001460017300 1182640343 /nfs/dbraw/zinc/64/03/43/1182640343.db2.gz CBWRXGIZHODYGZ-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017297 1182640554 /nfs/dbraw/zinc/64/05/54/1182640554.db2.gz CBWRXGIZHODYGZ-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017297 1182640559 /nfs/dbraw/zinc/64/05/59/1182640559.db2.gz CBWRXGIZHODYGZ-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017297 1182640562 /nfs/dbraw/zinc/64/05/62/1182640562.db2.gz CBWRXGIZHODYGZ-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017297 1182640567 /nfs/dbraw/zinc/64/05/67/1182640567.db2.gz CBWRXGIZHODYGZ-MOPGFXCFSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001460340869 1182680735 /nfs/dbraw/zinc/68/07/35/1182680735.db2.gz IUZVEXLMHJZTHR-QGZVFWFLSA-N 2 1 324.509 3.449 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001460340869 1182680737 /nfs/dbraw/zinc/68/07/37/1182680737.db2.gz IUZVEXLMHJZTHR-QGZVFWFLSA-N 2 1 324.509 3.449 20 0 DGADMP C[C@H]1CC[C@@](CO)([NH2+]CCC[NH+]2CCCCC2)c2ccccc21 ZINC001460952272 1182746524 /nfs/dbraw/zinc/74/65/24/1182746524.db2.gz UMYCJJRYZUDMAE-PXNSSMCTSA-N 2 1 316.489 3.237 20 0 DGADMP CC[N@@H+]1CCC[C@H]1CNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001460989228 1182751706 /nfs/dbraw/zinc/75/17/06/1182751706.db2.gz LJWVNUMFYIJSII-HNNXBMFYSA-N 2 1 300.450 3.032 20 0 DGADMP CC[N@H+]1CCC[C@H]1CNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001460989228 1182751710 /nfs/dbraw/zinc/75/17/10/1182751710.db2.gz LJWVNUMFYIJSII-HNNXBMFYSA-N 2 1 300.450 3.032 20 0 DGADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C1CCCCC1)C[NH+]1CCCC1 ZINC001461063081 1182762826 /nfs/dbraw/zinc/76/28/26/1182762826.db2.gz DATJUZHTEMIRIF-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc2ccc(Cl)cn12)C[NH+]1CCCCC1 ZINC001461086189 1182765414 /nfs/dbraw/zinc/76/54/14/1182765414.db2.gz SDKCJOOEPDYFIG-AWEZNQCLSA-N 2 1 320.868 3.199 20 0 DGADMP COc1ccc([C@@H](C)CC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001461200583 1182781295 /nfs/dbraw/zinc/78/12/95/1182781295.db2.gz BKLNLJGTVGLLEA-HNNXBMFYSA-N 2 1 313.445 3.440 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001461258068 1182786913 /nfs/dbraw/zinc/78/69/13/1182786913.db2.gz RVSDFWLNKYBRMC-ZWKOTPCHSA-N 2 1 310.445 3.106 20 0 DGADMP COc1cc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC001461372666 1182801379 /nfs/dbraw/zinc/80/13/79/1182801379.db2.gz IONGAPIKPOFFHQ-QGZVFWFLSA-N 2 1 319.493 3.165 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC001462287638 1182933835 /nfs/dbraw/zinc/93/38/35/1182933835.db2.gz AKNOVXCIIDNWCA-ROUUACIJSA-N 2 1 318.505 3.205 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CC1CC1 ZINC001462356406 1182942552 /nfs/dbraw/zinc/94/25/52/1182942552.db2.gz OTFFBMHZAFMYJU-NSISKUIASA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CC1CC1 ZINC001462356406 1182942555 /nfs/dbraw/zinc/94/25/55/1182942555.db2.gz OTFFBMHZAFMYJU-NSISKUIASA-N 2 1 316.489 3.302 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)cccc12 ZINC001462520559 1182964155 /nfs/dbraw/zinc/96/41/55/1182964155.db2.gz FCOCVZASHPWDNL-APWZRJJASA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cccc12 ZINC001462520559 1182964160 /nfs/dbraw/zinc/96/41/60/1182964160.db2.gz FCOCVZASHPWDNL-APWZRJJASA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@H]4[C@H](CC[N@H+]4C)C3)cccc12 ZINC001462520559 1182964162 /nfs/dbraw/zinc/96/41/62/1182964162.db2.gz FCOCVZASHPWDNL-APWZRJJASA-N 2 1 310.441 3.374 20 0 DGADMP CCC1(CC)CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473642741 1183785443 /nfs/dbraw/zinc/78/54/43/1183785443.db2.gz IALQXXRDZITLKG-IBGZPJMESA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473642741 1183785449 /nfs/dbraw/zinc/78/54/49/1183785449.db2.gz IALQXXRDZITLKG-IBGZPJMESA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001473642741 1183785457 /nfs/dbraw/zinc/78/54/57/1183785457.db2.gz IALQXXRDZITLKG-IBGZPJMESA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001473642741 1183785467 /nfs/dbraw/zinc/78/54/67/1183785467.db2.gz IALQXXRDZITLKG-IBGZPJMESA-N 2 1 318.505 3.382 20 0 DGADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)s1 ZINC001473759564 1183798234 /nfs/dbraw/zinc/79/82/34/1183798234.db2.gz JPCDDCJFEYKMNI-CYBMUJFWSA-N 2 1 301.459 3.471 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786403 1183802690 /nfs/dbraw/zinc/80/26/90/1183802690.db2.gz ADTLONQSSTYTCK-QGZVFWFLSA-N 2 1 300.446 3.288 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786403 1183802692 /nfs/dbraw/zinc/80/26/92/1183802692.db2.gz ADTLONQSSTYTCK-QGZVFWFLSA-N 2 1 300.446 3.288 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786403 1183802695 /nfs/dbraw/zinc/80/26/95/1183802695.db2.gz ADTLONQSSTYTCK-QGZVFWFLSA-N 2 1 300.446 3.288 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786403 1183802700 /nfs/dbraw/zinc/80/27/00/1183802700.db2.gz ADTLONQSSTYTCK-QGZVFWFLSA-N 2 1 300.446 3.288 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842098 1183811365 /nfs/dbraw/zinc/81/13/65/1183811365.db2.gz JCPXKESWAHVXSL-MRRJBJDNSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842098 1183811369 /nfs/dbraw/zinc/81/13/69/1183811369.db2.gz JCPXKESWAHVXSL-MRRJBJDNSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842098 1183811373 /nfs/dbraw/zinc/81/13/73/1183811373.db2.gz JCPXKESWAHVXSL-MRRJBJDNSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842098 1183811376 /nfs/dbraw/zinc/81/13/76/1183811376.db2.gz JCPXKESWAHVXSL-MRRJBJDNSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc([C@H]2CCCO2)s1)C[NH+]1CCCCC1 ZINC001473949061 1183836444 /nfs/dbraw/zinc/83/64/44/1183836444.db2.gz LUGVYHRAUBWLIZ-GDBMZVCRSA-N 2 1 323.506 3.206 20 0 DGADMP CO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1Cl ZINC001474045196 1183857122 /nfs/dbraw/zinc/85/71/22/1183857122.db2.gz NWBMJZVKPGUMAR-QGZVFWFLSA-N 2 1 319.836 3.278 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001474204937 1183881575 /nfs/dbraw/zinc/88/15/75/1183881575.db2.gz MXWTUGMNBJKMIL-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP CC[N@@H+](CCCNCc1cnn2ccccc12)C1CCCCC1 ZINC001474200565 1183881994 /nfs/dbraw/zinc/88/19/94/1183881994.db2.gz PKNZCJJMTFSVCX-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1cnn2ccccc12)C1CCCCC1 ZINC001474200565 1183881997 /nfs/dbraw/zinc/88/19/97/1183881997.db2.gz PKNZCJJMTFSVCX-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1cnn2ccccc12)C1CCCCC1 ZINC001474200565 1183882000 /nfs/dbraw/zinc/88/20/00/1183882000.db2.gz PKNZCJJMTFSVCX-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC001474303154 1183900801 /nfs/dbraw/zinc/90/08/01/1183900801.db2.gz RMJITJUPQGQLKA-AEGPPILISA-N 2 1 314.351 3.015 20 0 DGADMP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339804 1183906463 /nfs/dbraw/zinc/90/64/63/1183906463.db2.gz NZKKAPROXQROLJ-IPMKNSEASA-N 2 1 310.526 3.491 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001474386564 1183913648 /nfs/dbraw/zinc/91/36/48/1183913648.db2.gz FANBKODSHRLXLW-MRXNPFEDSA-N 2 1 305.491 3.293 20 0 DGADMP Cc1noc(-c2ccc(C[NH2+]C3CC[NH+](C(C)C)CC3)cc2)n1 ZINC001474421572 1183918264 /nfs/dbraw/zinc/91/82/64/1183918264.db2.gz KLUKJQDTERCZCL-UHFFFAOYSA-N 2 1 314.433 3.007 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001474634763 1183953489 /nfs/dbraw/zinc/95/34/89/1183953489.db2.gz YCTKINCTMGHTCE-DOTOQJQBSA-N 2 1 324.509 3.018 20 0 DGADMP CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC001474646455 1183954494 /nfs/dbraw/zinc/95/44/94/1183954494.db2.gz DDITYANJSRUXNT-SJLPKXTDSA-N 2 1 318.509 3.090 20 0 DGADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC001474646455 1183954495 /nfs/dbraw/zinc/95/44/95/1183954495.db2.gz DDITYANJSRUXNT-SJLPKXTDSA-N 2 1 318.509 3.090 20 0 DGADMP C[C@@H](CCO)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001474698196 1183964302 /nfs/dbraw/zinc/96/43/02/1183964302.db2.gz NYPBGUIDCISLTD-KRWDZBQOSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H](CCO)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001474698196 1183964305 /nfs/dbraw/zinc/96/43/05/1183964305.db2.gz NYPBGUIDCISLTD-KRWDZBQOSA-N 2 1 304.478 3.182 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC001474705470 1183964791 /nfs/dbraw/zinc/96/47/91/1183964791.db2.gz MSOMGFKIEAJOSF-ZDUSSCGKSA-N 2 1 308.363 3.085 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001474757458 1183974015 /nfs/dbraw/zinc/97/40/15/1183974015.db2.gz WHZQKEFYBIFULN-JSHWQEIDSA-N 2 1 310.844 3.340 20 0 DGADMP CC(C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001499840969 1185704455 /nfs/dbraw/zinc/70/44/55/1185704455.db2.gz OOIQTUVOBABODI-DLBZAZTESA-N 2 1 323.525 3.019 20 0 DGADMP CCc1c[nH]c2ncnc(NC[C@@H]3CCC[N@H+](C(C)C)C3)c12 ZINC001611886191 1193442826 /nfs/dbraw/zinc/44/28/26/1193442826.db2.gz AUOUMTMHRTUABD-ZDUSSCGKSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC001611886191 1193442827 /nfs/dbraw/zinc/44/28/27/1193442827.db2.gz AUOUMTMHRTUABD-ZDUSSCGKSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@H+](C(C)C)C3)c12 ZINC001611886191 1193442829 /nfs/dbraw/zinc/44/28/29/1193442829.db2.gz AUOUMTMHRTUABD-ZDUSSCGKSA-N 2 1 301.438 3.004 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001615744121 1193527180 /nfs/dbraw/zinc/52/71/80/1193527180.db2.gz OJALVHJNYADCRX-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001615744121 1193527185 /nfs/dbraw/zinc/52/71/85/1193527185.db2.gz OJALVHJNYADCRX-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001615744121 1193527190 /nfs/dbraw/zinc/52/71/90/1193527190.db2.gz OJALVHJNYADCRX-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CC[NH+](CC)CCN(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001615791493 1193528562 /nfs/dbraw/zinc/52/85/62/1193528562.db2.gz GHWBQCKZIBGGQA-HXUWFJFHSA-N 2 1 317.521 3.315 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001549087398 1188492984 /nfs/dbraw/zinc/49/29/84/1188492984.db2.gz IOFQFHSHRRZDIS-MAUKXSAKSA-N 2 1 313.470 3.371 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@H]32)CC[NH2+]1 ZINC001549087622 1188493382 /nfs/dbraw/zinc/49/33/82/1188493382.db2.gz IGNFJBVPXKSYIH-CVYSASLGSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549115725 1188495848 /nfs/dbraw/zinc/49/58/48/1188495848.db2.gz HYFMEYUXUCARMS-OGWOLHLISA-N 2 1 311.429 3.463 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549115725 1188495851 /nfs/dbraw/zinc/49/58/51/1188495851.db2.gz HYFMEYUXUCARMS-OGWOLHLISA-N 2 1 311.429 3.463 20 0 DGADMP c1ccc([C@@H]2C[C@@H]3[C@@H](CCC[N@@H+]3CC[C@@H]3CCC[NH2+]C3)O2)cc1 ZINC001549112956 1188496007 /nfs/dbraw/zinc/49/60/07/1188496007.db2.gz GFCYVDYWSMHWTR-NBYUQASBSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)cc2)n1 ZINC001549115405 1188496105 /nfs/dbraw/zinc/49/61/05/1188496105.db2.gz FSEPIGXIHOGJFX-AZUAARDMSA-N 2 1 324.472 3.050 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC001549181936 1188500633 /nfs/dbraw/zinc/50/06/33/1188500633.db2.gz TXCNVVINGKHCHY-AFYVEPGGSA-N 2 1 316.489 3.173 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC001549285481 1188510126 /nfs/dbraw/zinc/51/01/26/1188510126.db2.gz CARHCXSVTJQBQR-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC001549285481 1188510130 /nfs/dbraw/zinc/51/01/30/1188510130.db2.gz CARHCXSVTJQBQR-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001550174630 1188590288 /nfs/dbraw/zinc/59/02/88/1188590288.db2.gz FAJGLGZPWRXDQB-ZRNYENFQSA-N 2 1 314.473 3.358 20 0 DGADMP C[C@]12C[NH2+]C[C@]1(C)C[NH+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001550174584 1188590398 /nfs/dbraw/zinc/59/03/98/1188590398.db2.gz DCBMWGUJJPQXSS-MTQWCTHYSA-N 2 1 314.473 3.228 20 0 DGADMP FC(F)(F)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC001550243992 1188597787 /nfs/dbraw/zinc/59/77/87/1188597787.db2.gz MVLONQLFKZCYMH-NVXWUHKLSA-N 2 1 324.390 3.497 20 0 DGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[C@H]3CCC[N@H+]3C)ccc21 ZINC001550318832 1188604195 /nfs/dbraw/zinc/60/41/95/1188604195.db2.gz NRPTUXMUIGIXBZ-SJLPKXTDSA-N 2 1 315.461 3.048 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3ccc(C)o3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550350810 1188608817 /nfs/dbraw/zinc/60/88/17/1188608817.db2.gz AFVPJVMAQCKXKN-SMYFESCOSA-N 2 1 320.477 3.108 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)C3CCCC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550351533 1188609081 /nfs/dbraw/zinc/60/90/81/1188609081.db2.gz DKABENFDJJHGBP-FTWQHDNSSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550351923 1188609212 /nfs/dbraw/zinc/60/92/12/1188609212.db2.gz FJFQNMNOCKGBOI-ILYVXUQDSA-N 2 1 308.510 3.025 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550352875 1188609247 /nfs/dbraw/zinc/60/92/47/1188609247.db2.gz HIMKPFRQRTWPSU-BBWFWOEESA-N 2 1 302.462 3.120 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@H]32)C1 ZINC001550350758 1188609424 /nfs/dbraw/zinc/60/94/24/1188609424.db2.gz ZCFICTXDGVVASR-SXXASDTRSA-N 2 1 300.446 3.108 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O)c1ccccc1 ZINC001550354995 1188609927 /nfs/dbraw/zinc/60/99/27/1188609927.db2.gz WWPAYUAGFXZISX-YHDCXSKOSA-N 2 1 316.489 3.207 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3csc(C)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423857 1188614927 /nfs/dbraw/zinc/61/49/27/1188614927.db2.gz SVDAZZSMIGQSSY-OWSLCNJRSA-N 2 1 322.518 3.016 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3ccsc3C)C2)[C@H]1C(C)C ZINC001550422897 1188615070 /nfs/dbraw/zinc/61/50/70/1188615070.db2.gz FAVGIOOSEQOHNH-FJIDUMEYSA-N 2 1 322.518 3.016 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@]23CCCCO3)C1 ZINC001550521374 1188619193 /nfs/dbraw/zinc/61/91/93/1188619193.db2.gz HEHQRBBICALGBV-CVYDXHPNSA-N 2 1 303.450 3.138 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550539911 1188621785 /nfs/dbraw/zinc/62/17/85/1188621785.db2.gz PMXQEWAEVBBKNB-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550539911 1188621789 /nfs/dbraw/zinc/62/17/89/1188621789.db2.gz PMXQEWAEVBBKNB-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550539911 1188621794 /nfs/dbraw/zinc/62/17/94/1188621794.db2.gz PMXQEWAEVBBKNB-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550539911 1188621802 /nfs/dbraw/zinc/62/18/02/1188621802.db2.gz PMXQEWAEVBBKNB-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540954 1188622787 /nfs/dbraw/zinc/62/27/87/1188622787.db2.gz OKLCNAXDGPEAQX-KBPBESRZSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540954 1188622789 /nfs/dbraw/zinc/62/27/89/1188622789.db2.gz OKLCNAXDGPEAQX-KBPBESRZSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540954 1188622791 /nfs/dbraw/zinc/62/27/91/1188622791.db2.gz OKLCNAXDGPEAQX-KBPBESRZSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540954 1188622793 /nfs/dbraw/zinc/62/27/93/1188622793.db2.gz OKLCNAXDGPEAQX-KBPBESRZSA-N 2 1 317.458 3.095 20 0 DGADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H](c2ccccc2)O1 ZINC001551254843 1188721481 /nfs/dbraw/zinc/72/14/81/1188721481.db2.gz CUXNKYATLPZIFW-LPHOPBHVSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3F)C[C@H]2C1 ZINC001551263507 1188722799 /nfs/dbraw/zinc/72/27/99/1188722799.db2.gz WPVCZQNIFRYINN-MRVWCRGKSA-N 2 1 311.832 3.036 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001551263582 1188723418 /nfs/dbraw/zinc/72/34/18/1188723418.db2.gz XLBQKLFWSUPCOW-SQWLQELKSA-N 2 1 307.869 3.206 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H](c2ccccc2)O1 ZINC001551393522 1188736411 /nfs/dbraw/zinc/73/64/11/1188736411.db2.gz FUXPDAHZVDZHMP-NZSAHSFTSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@H](c2ccccc2)O1 ZINC001551393522 1188736413 /nfs/dbraw/zinc/73/64/13/1188736413.db2.gz FUXPDAHZVDZHMP-NZSAHSFTSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@H](c2ccccc2)O1 ZINC001551393522 1188736415 /nfs/dbraw/zinc/73/64/15/1188736415.db2.gz FUXPDAHZVDZHMP-NZSAHSFTSA-N 2 1 302.462 3.323 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)ccc1C[NH+]1CCCCC1 ZINC001552154200 1188819896 /nfs/dbraw/zinc/81/98/96/1188819896.db2.gz DUTGSMJGBCYXAC-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP CC(C)[C@@H]1CCO[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552162807 1188821131 /nfs/dbraw/zinc/82/11/31/1188821131.db2.gz PEPQULXKUPTDQS-INDMIFKZSA-N 2 1 302.462 3.130 20 0 DGADMP CC(C)[C@@H]1CCO[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552162805 1188821657 /nfs/dbraw/zinc/82/16/57/1188821657.db2.gz PEPQULXKUPTDQS-CADBVGFASA-N 2 1 302.462 3.130 20 0 DGADMP CO[C@@H]1C[C@@H](CF)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317292 1188835450 /nfs/dbraw/zinc/83/54/50/1188835450.db2.gz LMBKMHGFVBVSTI-RBUKOAKNSA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317292 1188835455 /nfs/dbraw/zinc/83/54/55/1188835455.db2.gz LMBKMHGFVBVSTI-RBUKOAKNSA-N 2 1 320.452 3.231 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1[C@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC001553023852 1188890018 /nfs/dbraw/zinc/89/00/18/1188890018.db2.gz KKRCHLSFIUOHCF-RUAUBTSSSA-N 2 1 305.491 3.195 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1[C@H]3CCC[NH2+][C@H]3C1(C)C)CCC2 ZINC001553024052 1188890134 /nfs/dbraw/zinc/89/01/34/1188890134.db2.gz BIMBUJUAYAGUPX-BURFUSLBSA-N 2 1 316.493 3.208 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC001553021940 1188890535 /nfs/dbraw/zinc/89/05/35/1188890535.db2.gz RZWXAUIISMQRQS-YUELXQCFSA-N 2 1 310.388 3.154 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2cncn2C)C1 ZINC001553864759 1188952770 /nfs/dbraw/zinc/95/27/70/1188952770.db2.gz XXXXDIACHQFWCV-HNNXBMFYSA-N 2 1 321.428 3.051 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCC[C@H](C)[NH+]3CCCCC3)c12 ZINC001559163304 1189176677 /nfs/dbraw/zinc/17/66/77/1189176677.db2.gz PYEPCIOLUPOPSU-ZDUSSCGKSA-N 2 1 301.438 3.148 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC001559566890 1189218508 /nfs/dbraw/zinc/21/85/08/1189218508.db2.gz QFKZDVZQIGYIJM-UXHICEINSA-N 2 1 315.505 3.240 20 0 DGADMP COc1ccc(C[C@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001559592685 1189222315 /nfs/dbraw/zinc/22/23/15/1189222315.db2.gz OXUREJJJDYGHKN-GOSISDBHSA-N 2 1 302.462 3.188 20 0 DGADMP COc1ccc(C[C@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001559592685 1189222320 /nfs/dbraw/zinc/22/23/20/1189222320.db2.gz OXUREJJJDYGHKN-GOSISDBHSA-N 2 1 302.462 3.188 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696356 1189232234 /nfs/dbraw/zinc/23/22/34/1189232234.db2.gz VSAQSOWRFRSTPH-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001559946425 1189260208 /nfs/dbraw/zinc/26/02/08/1189260208.db2.gz SPQVZBOQQQGQOB-FQEVSTJZSA-N 2 1 312.457 3.037 20 0 DGADMP C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001560004626 1189267256 /nfs/dbraw/zinc/26/72/56/1189267256.db2.gz KUSUOIZEYVZYGE-KRWDZBQOSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH+]1CCCCC1 ZINC001560004626 1189267260 /nfs/dbraw/zinc/26/72/60/1189267260.db2.gz KUSUOIZEYVZYGE-KRWDZBQOSA-N 2 1 301.478 3.203 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC001560262381 1189301407 /nfs/dbraw/zinc/30/14/07/1189301407.db2.gz BFOBIBAUBONSPC-UHFFFAOYSA-N 2 1 300.393 3.150 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC001560262381 1189301412 /nfs/dbraw/zinc/30/14/12/1189301412.db2.gz BFOBIBAUBONSPC-UHFFFAOYSA-N 2 1 300.393 3.150 20 0 DGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001560320212 1189311078 /nfs/dbraw/zinc/31/10/78/1189311078.db2.gz RLZZSLXMMGVFHD-UYAOXDASSA-N 2 1 323.569 3.455 20 0 DGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001560336526 1189313491 /nfs/dbraw/zinc/31/34/91/1189313491.db2.gz RXVYRSFDKMCQNB-QYZOEREBSA-N 2 1 310.526 3.418 20 0 DGADMP c1cn2c(cccc2C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n1 ZINC001560429146 1189327706 /nfs/dbraw/zinc/32/77/06/1189327706.db2.gz URLPYETXIRXBLD-UHFFFAOYSA-N 2 1 312.461 3.079 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC001560622658 1189349706 /nfs/dbraw/zinc/34/97/06/1189349706.db2.gz MCPFQGAXSNQZLT-BJLQDIEVSA-N 2 1 307.441 3.178 20 0 DGADMP Cn1c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2ccccc21 ZINC001560633927 1189352061 /nfs/dbraw/zinc/35/20/61/1189352061.db2.gz JCZLWBFYFIIPMU-QGZVFWFLSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2ccccc21 ZINC001560633927 1189352067 /nfs/dbraw/zinc/35/20/67/1189352067.db2.gz JCZLWBFYFIIPMU-QGZVFWFLSA-N 2 1 311.473 3.486 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)nc3c2CCCC3)[C@H](C)C1 ZINC001560637750 1189352929 /nfs/dbraw/zinc/35/29/29/1189352929.db2.gz NUOZJXCXOOXFHB-QRWLVFNGSA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc3c2CCCC3)[C@H](C)C1 ZINC001560637750 1189352944 /nfs/dbraw/zinc/35/29/44/1189352944.db2.gz NUOZJXCXOOXFHB-QRWLVFNGSA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc3c2CCCC3)[C@H](C)C1 ZINC001560637750 1189352948 /nfs/dbraw/zinc/35/29/48/1189352948.db2.gz NUOZJXCXOOXFHB-QRWLVFNGSA-N 2 1 315.505 3.431 20 0 DGADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)CC1CC[NH+](CC)CC1 ZINC001560670148 1189358322 /nfs/dbraw/zinc/35/83/22/1189358322.db2.gz TYANPVUZAFUSCD-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2nc3c(s2)CCCC3)CC1 ZINC001560697323 1189361905 /nfs/dbraw/zinc/36/19/05/1189361905.db2.gz VJLUDODJHBFWOS-UHFFFAOYSA-N 2 1 307.507 3.186 20 0 DGADMP C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749818 1189374795 /nfs/dbraw/zinc/37/47/95/1189374795.db2.gz YDGJQZSMNOPWAS-SJLPKXTDSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749818 1189374800 /nfs/dbraw/zinc/37/48/00/1189374800.db2.gz YDGJQZSMNOPWAS-SJLPKXTDSA-N 3 1 319.537 3.103 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749818 1189374806 /nfs/dbraw/zinc/37/48/06/1189374806.db2.gz YDGJQZSMNOPWAS-SJLPKXTDSA-N 3 1 319.537 3.103 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC001560755805 1189375282 /nfs/dbraw/zinc/37/52/82/1189375282.db2.gz SZWSZNRPWHHIJL-JLBOEEDFSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC001560755805 1189375285 /nfs/dbraw/zinc/37/52/85/1189375285.db2.gz SZWSZNRPWHHIJL-JLBOEEDFSA-N 2 1 308.510 3.292 20 0 DGADMP COC1CC(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC001560814142 1189386617 /nfs/dbraw/zinc/38/66/17/1189386617.db2.gz QLQVKVFKGVWEDD-UHFFFAOYSA-N 2 1 302.462 3.008 20 0 DGADMP COC1CC(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC001560814142 1189386622 /nfs/dbraw/zinc/38/66/22/1189386622.db2.gz QLQVKVFKGVWEDD-UHFFFAOYSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCN(c3ccccc3F)CC2)CC1 ZINC001560817137 1189386862 /nfs/dbraw/zinc/38/68/62/1189386862.db2.gz PQNRWTLLMCSFOS-UHFFFAOYSA-N 2 1 319.468 3.070 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)CC1 ZINC001560911922 1189404803 /nfs/dbraw/zinc/40/48/03/1189404803.db2.gz PUMGSKJNBVBYMA-VAMGGRTRSA-N 2 1 314.473 3.323 20 0 DGADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001560930796 1189406795 /nfs/dbraw/zinc/40/67/95/1189406795.db2.gz OUKDORROXYGUDV-YHDCXSKOSA-N 2 1 314.473 3.197 20 0 DGADMP COCC[N@@H+](C[C@H](C)c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC001560963734 1189411353 /nfs/dbraw/zinc/41/13/53/1189411353.db2.gz VUOHGYCWMOAWRM-INIZCTEOSA-N 2 1 322.468 3.219 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001560965439 1189411399 /nfs/dbraw/zinc/41/13/99/1189411399.db2.gz REYUBZQDZSODBK-FVPXHTFXSA-N 2 1 316.489 3.300 20 0 DGADMP COCC[N@@H+](C[C@@H](C)c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC001560963736 1189411704 /nfs/dbraw/zinc/41/17/04/1189411704.db2.gz VUOHGYCWMOAWRM-MRXNPFEDSA-N 2 1 322.468 3.219 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001566983906 1189980992 /nfs/dbraw/zinc/98/09/92/1189980992.db2.gz FIUKOSZZZQPFRZ-DAWZGUTISA-N 2 1 323.525 3.068 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567248912 1190095806 /nfs/dbraw/zinc/09/58/06/1190095806.db2.gz AEBOMDGYYZSWLH-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCCCF)c(C)n1 ZINC001569130094 1190633718 /nfs/dbraw/zinc/63/37/18/1190633718.db2.gz MGMWCULPMFYRHE-HNNXBMFYSA-N 2 1 323.456 3.197 20 0 DGADMP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570726412 1190932301 /nfs/dbraw/zinc/93/23/01/1190932301.db2.gz QWUOOWNPJUOESD-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001570726412 1190932306 /nfs/dbraw/zinc/93/23/06/1190932306.db2.gz QWUOOWNPJUOESD-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001570726412 1190932309 /nfs/dbraw/zinc/93/23/09/1190932309.db2.gz QWUOOWNPJUOESD-QGZVFWFLSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)[C@H]1[N@@H+](Cc2cc(C3C[NH2+]C3)no2)CC12CCCCC2 ZINC001575521879 1191489001 /nfs/dbraw/zinc/48/90/01/1191489001.db2.gz VNYBDTJTVRSGNA-QGZVFWFLSA-N 2 1 303.450 3.152 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC001575839191 1191510146 /nfs/dbraw/zinc/51/01/46/1191510146.db2.gz TWLAJCDGHPZGLD-LLVKDONJSA-N 2 1 315.248 3.104 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC001576055854 1191526213 /nfs/dbraw/zinc/52/62/13/1191526213.db2.gz GOCQILHVFHZJPV-SGMGOOAPSA-N 2 1 300.368 3.306 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+]Cc1cccc(C[NH3+])c1)c1ccccc1 ZINC001576234548 1191545671 /nfs/dbraw/zinc/54/56/71/1191545671.db2.gz ZFTSRGQTYDKBEZ-INIZCTEOSA-N 2 1 311.473 3.364 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH3+])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251123 1191547862 /nfs/dbraw/zinc/54/78/62/1191547862.db2.gz JRTMOTSPLNQFOU-UTKZUKDTSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1cccc(C[NH3+])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001576251123 1191547866 /nfs/dbraw/zinc/54/78/66/1191547866.db2.gz JRTMOTSPLNQFOU-UTKZUKDTSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@@H](NCc1cccc(C[NH3+])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251123 1191547868 /nfs/dbraw/zinc/54/78/68/1191547868.db2.gz JRTMOTSPLNQFOU-UTKZUKDTSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH3+])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251122 1191548448 /nfs/dbraw/zinc/54/84/48/1191548448.db2.gz JRTMOTSPLNQFOU-LAUBAEHRSA-N 3 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1cccc(C[NH3+])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001576251122 1191548450 /nfs/dbraw/zinc/54/84/50/1191548450.db2.gz JRTMOTSPLNQFOU-LAUBAEHRSA-N 2 1 323.484 3.146 20 0 DGADMP C[C@H](NCc1cccc(C[NH3+])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001576251122 1191548454 /nfs/dbraw/zinc/54/84/54/1191548454.db2.gz JRTMOTSPLNQFOU-LAUBAEHRSA-N 2 1 323.484 3.146 20 0 DGADMP CC1(C)C[C@@H]([N@H+](Cc2ccccc2)C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001576395983 1191587771 /nfs/dbraw/zinc/58/77/71/1191587771.db2.gz UAXCJNCCDHWGRX-RCCFBDPRSA-N 2 1 302.462 3.184 20 0 DGADMP CCOc1cccc(CN2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001621571128 1193860504 /nfs/dbraw/zinc/86/05/04/1193860504.db2.gz LICKGNCXLUJYAU-BGYRXZFFSA-N 2 1 314.473 3.393 20 0 DGADMP CCOc1cccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001621571128 1193860512 /nfs/dbraw/zinc/86/05/12/1193860512.db2.gz LICKGNCXLUJYAU-BGYRXZFFSA-N 2 1 314.473 3.393 20 0 DGADMP CCOc1cccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001621571128 1193860514 /nfs/dbraw/zinc/86/05/14/1193860514.db2.gz LICKGNCXLUJYAU-BGYRXZFFSA-N 2 1 314.473 3.393 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC001639272089 1194758296 /nfs/dbraw/zinc/75/82/96/1194758296.db2.gz KEAPDYWKGVGJHQ-RYUDHWBXSA-N 2 1 301.356 3.055 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935238 1194880286 /nfs/dbraw/zinc/88/02/86/1194880286.db2.gz URYIAHSLGWKDLR-SFHVURJKSA-N 2 1 318.581 3.396 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935238 1194880289 /nfs/dbraw/zinc/88/02/89/1194880289.db2.gz URYIAHSLGWKDLR-SFHVURJKSA-N 2 1 318.581 3.396 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935238 1194880291 /nfs/dbraw/zinc/88/02/91/1194880291.db2.gz URYIAHSLGWKDLR-SFHVURJKSA-N 2 1 318.581 3.396 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935238 1194880296 /nfs/dbraw/zinc/88/02/96/1194880296.db2.gz URYIAHSLGWKDLR-SFHVURJKSA-N 2 1 318.581 3.396 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)CCSc1ccc(F)cc1F ZINC001642889570 1194952238 /nfs/dbraw/zinc/95/22/38/1194952238.db2.gz AEDIVNYIOXSUIM-UHFFFAOYSA-N 2 1 314.445 3.475 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)CCSc1ccc(F)cc1F ZINC001642889570 1194952240 /nfs/dbraw/zinc/95/22/40/1194952240.db2.gz AEDIVNYIOXSUIM-UHFFFAOYSA-N 2 1 314.445 3.475 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC001644635587 1195121973 /nfs/dbraw/zinc/12/19/73/1195121973.db2.gz HHZJLBMWQTXJPJ-FHWLQOOXSA-N 2 1 310.526 3.491 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC001644635587 1195121974 /nfs/dbraw/zinc/12/19/74/1195121974.db2.gz HHZJLBMWQTXJPJ-FHWLQOOXSA-N 2 1 310.526 3.491 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC001644635587 1195121978 /nfs/dbraw/zinc/12/19/78/1195121978.db2.gz HHZJLBMWQTXJPJ-FHWLQOOXSA-N 2 1 310.526 3.491 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC001644761776 1195132751 /nfs/dbraw/zinc/13/27/51/1195132751.db2.gz KSMDYOFABZMPKL-BTRQGYIVSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001644781100 1195134650 /nfs/dbraw/zinc/13/46/50/1195134650.db2.gz PZBZJRZDNJMOAM-FUHWJXTLSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001644781100 1195134653 /nfs/dbraw/zinc/13/46/53/1195134653.db2.gz PZBZJRZDNJMOAM-FUHWJXTLSA-N 2 1 324.509 3.305 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3)cc2)CC1 ZINC000061070097 1195173426 /nfs/dbraw/zinc/17/34/26/1195173426.db2.gz WXGHKMSTYWNZSE-UHFFFAOYSA-N 2 1 323.484 3.114 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856520 1195205217 /nfs/dbraw/zinc/20/52/17/1195205217.db2.gz FPPKGDQSPNPKRD-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856520 1195205220 /nfs/dbraw/zinc/20/52/20/1195205220.db2.gz FPPKGDQSPNPKRD-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856520 1195205226 /nfs/dbraw/zinc/20/52/26/1195205226.db2.gz FPPKGDQSPNPKRD-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc([Si](C)(C)C)cc3)C2)C1 ZINC001645856520 1195205227 /nfs/dbraw/zinc/20/52/27/1195205227.db2.gz FPPKGDQSPNPKRD-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001646461350 1195229740 /nfs/dbraw/zinc/22/97/40/1195229740.db2.gz CAONMVHPZQXXKK-UZLBHIALSA-N 2 1 312.457 3.289 20 0 DGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001646461350 1195229744 /nfs/dbraw/zinc/22/97/44/1195229744.db2.gz CAONMVHPZQXXKK-UZLBHIALSA-N 2 1 312.457 3.289 20 0 DGADMP CCc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001647027658 1195240959 /nfs/dbraw/zinc/24/09/59/1195240959.db2.gz ZLWNYSFIHFUEGZ-CALCHBBNSA-N 2 1 304.478 3.228 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(cccc3OC)C2)CC1 ZINC001648701360 1195323621 /nfs/dbraw/zinc/32/36/21/1195323621.db2.gz UTUWBUHNIAYCLG-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1OC ZINC000063917677 1195325434 /nfs/dbraw/zinc/32/54/34/1195325434.db2.gz LNIBZKCMYBFYCS-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP Cc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c2c(n1)CCCC2 ZINC001651028762 1195405801 /nfs/dbraw/zinc/40/58/01/1195405801.db2.gz RVEHWFKFLCXSLK-UHFFFAOYSA-N 2 1 315.505 3.480 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000065981547 1195482904 /nfs/dbraw/zinc/48/29/04/1195482904.db2.gz WHSFSJSQFNMSHQ-GFCCVEGCSA-N 2 1 314.857 3.177 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001651697762 1195498561 /nfs/dbraw/zinc/49/85/61/1195498561.db2.gz HRAFOAUDFVPHEX-AMFZTEBJSA-N 2 1 314.473 3.166 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001651847271 1195515798 /nfs/dbraw/zinc/51/57/98/1195515798.db2.gz AZNSGMAFWHCWCG-KRWDZBQOSA-N 2 1 315.505 3.433 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001651847271 1195515801 /nfs/dbraw/zinc/51/58/01/1195515801.db2.gz AZNSGMAFWHCWCG-KRWDZBQOSA-N 2 1 315.505 3.433 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC001651952105 1195528431 /nfs/dbraw/zinc/52/84/31/1195528431.db2.gz FSTUWWBUWHBCJV-HXUWFJFHSA-N 2 1 316.489 3.090 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001652513879 1195610841 /nfs/dbraw/zinc/61/08/41/1195610841.db2.gz XSQGBKRJDPUFGQ-WMZOPIPTSA-N 2 1 304.478 3.423 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC001653041973 1195683046 /nfs/dbraw/zinc/68/30/46/1195683046.db2.gz SUAYAMQOSNHKKD-QGZVFWFLSA-N 2 1 320.477 3.248 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001653230472 1195701262 /nfs/dbraw/zinc/70/12/62/1195701262.db2.gz ISTRZSBSNKAHQZ-PKOBYXMFSA-N 2 1 321.553 3.351 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC001653314426 1195710480 /nfs/dbraw/zinc/71/04/80/1195710480.db2.gz QJXLOHYBJCXCCN-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC001653367819 1195715188 /nfs/dbraw/zinc/71/51/88/1195715188.db2.gz UUBGWMWLJFHLDY-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC4(CO3)CCCCC4)CC[C@H]21 ZINC001653554379 1195733409 /nfs/dbraw/zinc/73/34/09/1195733409.db2.gz WDJSPAWSINNZAY-FGTMMUONSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CCCCC4)CC[C@H]21 ZINC001653554379 1195733411 /nfs/dbraw/zinc/73/34/11/1195733411.db2.gz WDJSPAWSINNZAY-FGTMMUONSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)CC[C@H]21 ZINC001653554379 1195733413 /nfs/dbraw/zinc/73/34/13/1195733413.db2.gz WDJSPAWSINNZAY-FGTMMUONSA-N 2 1 306.494 3.142 20 0 DGADMP Cc1cccc(C)c1C[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC001653989424 1195765397 /nfs/dbraw/zinc/76/53/97/1195765397.db2.gz BMGOVVDKKIOBCK-IBGZPJMESA-N 2 1 318.505 3.217 20 0 DGADMP Cc1cccc(C)c1C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC001653989424 1195765401 /nfs/dbraw/zinc/76/54/01/1195765401.db2.gz BMGOVVDKKIOBCK-IBGZPJMESA-N 2 1 318.505 3.217 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC001653989424 1195765404 /nfs/dbraw/zinc/76/54/04/1195765404.db2.gz BMGOVVDKKIOBCK-IBGZPJMESA-N 2 1 318.505 3.217 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001653989424 1195765407 /nfs/dbraw/zinc/76/54/07/1195765407.db2.gz BMGOVVDKKIOBCK-IBGZPJMESA-N 2 1 318.505 3.217 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C(C)C ZINC001654515449 1195812607 /nfs/dbraw/zinc/81/26/07/1195812607.db2.gz OLLMKMNNHKMQJE-OALUTQOASA-N 2 1 310.526 3.491 20 0 DGADMP CC[C@H]1C[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001654578963 1195818876 /nfs/dbraw/zinc/81/88/76/1195818876.db2.gz MMJMUPVDKLBXMJ-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CC[C@H]1CN(C)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001654578963 1195818882 /nfs/dbraw/zinc/81/88/82/1195818882.db2.gz MMJMUPVDKLBXMJ-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001654576050 1195819166 /nfs/dbraw/zinc/81/91/66/1195819166.db2.gz RWEPGTUATTUCSN-YESZJQIVSA-N 2 1 306.400 3.063 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001654576050 1195819159 /nfs/dbraw/zinc/81/91/59/1195819159.db2.gz RWEPGTUATTUCSN-YESZJQIVSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001654576050 1195819163 /nfs/dbraw/zinc/81/91/63/1195819163.db2.gz RWEPGTUATTUCSN-YESZJQIVSA-N 2 1 306.400 3.063 20 0 DGADMP C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057664 1195870732 /nfs/dbraw/zinc/87/07/32/1195870732.db2.gz RNNKBRZRJYIDQM-XLIONFOSSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@@H](N(C)C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057664 1195870735 /nfs/dbraw/zinc/87/07/35/1195870735.db2.gz RNNKBRZRJYIDQM-XLIONFOSSA-N 2 1 315.505 3.197 20 0 DGADMP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC001655067073 1195871825 /nfs/dbraw/zinc/87/18/25/1195871825.db2.gz VQTWJEDLCGYCJD-UHFFFAOYSA-N 2 1 322.880 3.153 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001655142408 1195882242 /nfs/dbraw/zinc/88/22/42/1195882242.db2.gz YNJPDYFCTXEMCI-AQNXPRMDSA-N 2 1 314.473 3.182 20 0 DGADMP CO[C@H](C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001655142408 1195882245 /nfs/dbraw/zinc/88/22/45/1195882245.db2.gz YNJPDYFCTXEMCI-AQNXPRMDSA-N 2 1 314.473 3.182 20 0 DGADMP CO[C@H](C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001655142408 1195882248 /nfs/dbraw/zinc/88/22/48/1195882248.db2.gz YNJPDYFCTXEMCI-AQNXPRMDSA-N 2 1 314.473 3.182 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC001655302131 1195901382 /nfs/dbraw/zinc/90/13/82/1195901382.db2.gz MDGPAPCLQRUMGZ-CALCHBBNSA-N 2 1 318.509 3.141 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC001655302131 1195901386 /nfs/dbraw/zinc/90/13/86/1195901386.db2.gz MDGPAPCLQRUMGZ-CALCHBBNSA-N 2 1 318.509 3.141 20 0 DGADMP CC1(C)CC2(CO1)CCC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC001655309621 1195902342 /nfs/dbraw/zinc/90/23/42/1195902342.db2.gz GSPKXWVXSRMDAV-VIHIWDAPSA-N 2 1 306.494 3.331 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)Nc1nc2ccccc2n2cncc12 ZINC001655540380 1195929406 /nfs/dbraw/zinc/92/94/06/1195929406.db2.gz YXIRBXBSAPFLEX-AWEZNQCLSA-N 2 1 311.433 3.415 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccc2ccccc21 ZINC001655616966 1195942202 /nfs/dbraw/zinc/94/22/02/1195942202.db2.gz NJRASGZIPMZGFJ-VQIMIIECSA-N 2 1 300.446 3.193 20 0 DGADMP Cc1cccc2sc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc21 ZINC001655662032 1195946484 /nfs/dbraw/zinc/94/64/84/1195946484.db2.gz MOEHVGDWVYTFMV-AWEZNQCLSA-N 2 1 320.506 3.289 20 0 DGADMP Cc1cccc2sc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc21 ZINC001655662032 1195946486 /nfs/dbraw/zinc/94/64/86/1195946486.db2.gz MOEHVGDWVYTFMV-AWEZNQCLSA-N 2 1 320.506 3.289 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663870 1195946722 /nfs/dbraw/zinc/94/67/22/1195946722.db2.gz OLVGNLQAEHJIAN-IAGOWNOFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663870 1195946725 /nfs/dbraw/zinc/94/67/25/1195946725.db2.gz OLVGNLQAEHJIAN-IAGOWNOFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663870 1195946727 /nfs/dbraw/zinc/94/67/27/1195946727.db2.gz OLVGNLQAEHJIAN-IAGOWNOFSA-N 2 1 324.896 3.221 20 0 DGADMP Cc1cn2c(C[NH2+]CC3(C[NH+](C)C)CCCC3)c(C)nc2s1 ZINC001656061025 1195992917 /nfs/dbraw/zinc/99/29/17/1195992917.db2.gz BTPNSAXUOSGOEM-UHFFFAOYSA-N 2 1 320.506 3.224 20 0 DGADMP CCn1cnc(Cl)c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC001656063819 1195994285 /nfs/dbraw/zinc/99/42/85/1195994285.db2.gz FBAOHMIVVPYRII-CQSZACIVSA-N 2 1 312.889 3.301 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CCCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001656633977 1196056340 /nfs/dbraw/zinc/05/63/40/1196056340.db2.gz XOWXZPPSJHODGK-YOEHRIQHSA-N 2 1 316.493 3.478 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC(F)F)C1 ZINC001656632657 1196056454 /nfs/dbraw/zinc/05/64/54/1196056454.db2.gz ICYMJWXUDZYVND-CABCVRRESA-N 2 1 312.404 3.293 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n1 ZINC001656680217 1196061008 /nfs/dbraw/zinc/06/10/08/1196061008.db2.gz GWUSMTWZBWVLOB-UHFFFAOYSA-N 2 1 307.482 3.306 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC001656798370 1196071581 /nfs/dbraw/zinc/07/15/81/1196071581.db2.gz CMSPSCYOCKIPBH-WOJBJXKFSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC001656798370 1196071584 /nfs/dbraw/zinc/07/15/84/1196071584.db2.gz CMSPSCYOCKIPBH-WOJBJXKFSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1cccn2c(C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)cnc12 ZINC001656794989 1196072193 /nfs/dbraw/zinc/07/21/93/1196072193.db2.gz QCGFTFVPCKZBDB-QGZVFWFLSA-N 2 1 314.477 3.387 20 0 DGADMP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ncccc12 ZINC001656819914 1196073299 /nfs/dbraw/zinc/07/32/99/1196073299.db2.gz FSVFFCXZGIEMMT-UHFFFAOYSA-N 2 1 313.420 3.338 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC001656947452 1196085971 /nfs/dbraw/zinc/08/59/71/1196085971.db2.gz YYVKPBHAQKROQB-GPMSIDNRSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1)CC2 ZINC001656947452 1196085974 /nfs/dbraw/zinc/08/59/74/1196085974.db2.gz YYVKPBHAQKROQB-GPMSIDNRSA-N 2 1 316.489 3.263 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001657040835 1196096097 /nfs/dbraw/zinc/09/60/97/1196096097.db2.gz VNFGHYDCPOTBJC-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001657056916 1196098398 /nfs/dbraw/zinc/09/83/98/1196098398.db2.gz MBYGMDQQZCGKCI-ULQDDVLXSA-N 2 1 312.498 3.208 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001657056916 1196098402 /nfs/dbraw/zinc/09/84/02/1196098402.db2.gz MBYGMDQQZCGKCI-ULQDDVLXSA-N 2 1 312.498 3.208 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1Br ZINC001657149694 1196111259 /nfs/dbraw/zinc/11/12/59/1196111259.db2.gz YFMRYCWBGCDETO-RRFJBIMHSA-N 2 1 323.278 3.187 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1Br ZINC001657149694 1196111261 /nfs/dbraw/zinc/11/12/61/1196111261.db2.gz YFMRYCWBGCDETO-RRFJBIMHSA-N 2 1 323.278 3.187 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000072727517 1196112041 /nfs/dbraw/zinc/11/20/41/1196112041.db2.gz SETLPYFUSTVRKP-QFBILLFUSA-N 2 1 302.462 3.187 20 0 DGADMP CCNc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001657194924 1196116786 /nfs/dbraw/zinc/11/67/86/1196116786.db2.gz SLRVSUOUMRRDAV-QGZVFWFLSA-N 2 1 301.478 3.426 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001657194924 1196116788 /nfs/dbraw/zinc/11/67/88/1196116788.db2.gz SLRVSUOUMRRDAV-QGZVFWFLSA-N 2 1 301.478 3.426 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001657405452 1196138078 /nfs/dbraw/zinc/13/80/78/1196138078.db2.gz XFFSQXRQLGQDOA-SFHVURJKSA-N 2 1 301.478 3.487 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC001657519296 1196150812 /nfs/dbraw/zinc/15/08/12/1196150812.db2.gz OTUNYCXOEJBJAE-INIZCTEOSA-N 2 1 316.555 3.341 20 0 DGADMP COc1ccsc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001657766168 1196176363 /nfs/dbraw/zinc/17/63/63/1196176363.db2.gz KYKVTQRPBLHUNT-KGLIPLIRSA-N 2 1 308.491 3.499 20 0 DGADMP COc1ccsc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001657766168 1196176366 /nfs/dbraw/zinc/17/63/66/1196176366.db2.gz KYKVTQRPBLHUNT-KGLIPLIRSA-N 2 1 308.491 3.499 20 0 DGADMP COc1ccsc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001657766178 1196176574 /nfs/dbraw/zinc/17/65/74/1196176574.db2.gz KYKVTQRPBLHUNT-ZIAGYGMSSA-N 2 1 308.491 3.499 20 0 DGADMP COc1ccsc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001657766178 1196176578 /nfs/dbraw/zinc/17/65/78/1196176578.db2.gz KYKVTQRPBLHUNT-ZIAGYGMSSA-N 2 1 308.491 3.499 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccccc2)C1 ZINC001657768865 1196177258 /nfs/dbraw/zinc/17/72/58/1196177258.db2.gz PIUJYRWFZSPSLE-JLXBBBJOSA-N 2 1 322.452 3.056 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)CC1 ZINC001658407687 1196253352 /nfs/dbraw/zinc/25/33/52/1196253352.db2.gz YUGOHSNXZUQIFA-KRWDZBQOSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001658823276 1196304417 /nfs/dbraw/zinc/30/44/17/1196304417.db2.gz FMMUETHDKHXTBZ-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001658823276 1196304421 /nfs/dbraw/zinc/30/44/21/1196304421.db2.gz FMMUETHDKHXTBZ-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001658840085 1196308565 /nfs/dbraw/zinc/30/85/65/1196308565.db2.gz NGCUXNICOABNDO-DNVCBOLYSA-N 2 1 302.462 3.420 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC001658868376 1196312266 /nfs/dbraw/zinc/31/22/66/1196312266.db2.gz ZDNOYVMYHMJDBE-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001658868376 1196312273 /nfs/dbraw/zinc/31/22/73/1196312273.db2.gz ZDNOYVMYHMJDBE-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001658868376 1196312274 /nfs/dbraw/zinc/31/22/74/1196312274.db2.gz ZDNOYVMYHMJDBE-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC001658868377 1196312756 /nfs/dbraw/zinc/31/27/56/1196312756.db2.gz ZDNOYVMYHMJDBE-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001658868377 1196312759 /nfs/dbraw/zinc/31/27/59/1196312759.db2.gz ZDNOYVMYHMJDBE-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001658868377 1196312763 /nfs/dbraw/zinc/31/27/63/1196312763.db2.gz ZDNOYVMYHMJDBE-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP COc1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1C ZINC001659117122 1196346804 /nfs/dbraw/zinc/34/68/04/1196346804.db2.gz VRCIUUNAIYRNKO-UHFFFAOYSA-N 2 1 313.445 3.092 20 0 DGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001659438510 1196383833 /nfs/dbraw/zinc/38/38/33/1196383833.db2.gz QVKFAAQNGPPLRN-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001659438510 1196383837 /nfs/dbraw/zinc/38/38/37/1196383837.db2.gz QVKFAAQNGPPLRN-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@]1(C[NH2+]C[C@]2(C)CCCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001659634197 1196400721 /nfs/dbraw/zinc/40/07/21/1196400721.db2.gz WWLWZBZWBPHDTB-PMACEKPBSA-N 2 1 316.489 3.447 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659665420 1196404324 /nfs/dbraw/zinc/40/43/24/1196404324.db2.gz AOTYNWKHWSQTKC-GGPKGHCWSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659665420 1196404326 /nfs/dbraw/zinc/40/43/26/1196404326.db2.gz AOTYNWKHWSQTKC-GGPKGHCWSA-N 2 1 317.521 3.359 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1C(C)=CCC[C@H]1C ZINC001659691475 1196406353 /nfs/dbraw/zinc/40/63/53/1196406353.db2.gz PAHUDZTZAOFEKB-AQNXPRMDSA-N 2 1 321.553 3.327 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc2nsnc21 ZINC001659734153 1196409886 /nfs/dbraw/zinc/40/98/86/1196409886.db2.gz RZIBWTBCVMQGOZ-XJKSGUPXSA-N 2 1 318.490 3.244 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2nsnc21 ZINC001659734153 1196409887 /nfs/dbraw/zinc/40/98/87/1196409887.db2.gz RZIBWTBCVMQGOZ-XJKSGUPXSA-N 2 1 318.490 3.244 20 0 DGADMP CCOCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC001659765226 1196412448 /nfs/dbraw/zinc/41/24/48/1196412448.db2.gz SWUAWGICJWHYKE-ICSRJNTNSA-N 2 1 316.489 3.497 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785085 1196413830 /nfs/dbraw/zinc/41/38/30/1196413830.db2.gz FTYLGDJVDQBTLM-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccnc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785085 1196413832 /nfs/dbraw/zinc/41/38/32/1196413832.db2.gz FTYLGDJVDQBTLM-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785086 1196414059 /nfs/dbraw/zinc/41/40/59/1196414059.db2.gz FTYLGDJVDQBTLM-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccnc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001659785086 1196414062 /nfs/dbraw/zinc/41/40/62/1196414062.db2.gz FTYLGDJVDQBTLM-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC001659829192 1196418652 /nfs/dbraw/zinc/41/86/52/1196418652.db2.gz ZVGSLFTXZAASKG-AEFFLSMTSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C ZINC001659829192 1196418655 /nfs/dbraw/zinc/41/86/55/1196418655.db2.gz ZVGSLFTXZAASKG-AEFFLSMTSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001659829192 1196418657 /nfs/dbraw/zinc/41/86/57/1196418657.db2.gz ZVGSLFTXZAASKG-AEFFLSMTSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001659829192 1196418660 /nfs/dbraw/zinc/41/86/60/1196418660.db2.gz ZVGSLFTXZAASKG-AEFFLSMTSA-N 2 1 304.503 3.422 20 0 DGADMP CC(C)C[N@@H+](CCN1C[C@H](C)C[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC001659898414 1196426670 /nfs/dbraw/zinc/42/66/70/1196426670.db2.gz BMFGECQHVNZIHH-RTBURBONSA-N 2 1 323.569 3.264 20 0 DGADMP C[C@H](CC1CCCCC1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001660104763 1196446266 /nfs/dbraw/zinc/44/62/66/1196446266.db2.gz AELFESSKSYPIMV-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCC2 ZINC001660369422 1196476321 /nfs/dbraw/zinc/47/63/21/1196476321.db2.gz BAKHRVHPNTYMQJ-QAPCUYQASA-N 2 1 302.462 3.174 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000076443424 1196481460 /nfs/dbraw/zinc/48/14/60/1196481460.db2.gz ZCRVSIDRTSCGQQ-IBGZPJMESA-N 2 1 312.432 3.480 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001660886959 1196539120 /nfs/dbraw/zinc/53/91/20/1196539120.db2.gz OGLZWXJOMMNOBY-OTWHNJEPSA-N 2 1 316.489 3.420 20 0 DGADMP CC[N@H+]1CC[C@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001660968461 1196547331 /nfs/dbraw/zinc/54/73/31/1196547331.db2.gz JQIJCEXUDZVKTI-LJQANCHMSA-N 2 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@H](CNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001660968461 1196547334 /nfs/dbraw/zinc/54/73/34/1196547334.db2.gz JQIJCEXUDZVKTI-LJQANCHMSA-N 2 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@H](CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001660968461 1196547337 /nfs/dbraw/zinc/54/73/37/1196547337.db2.gz JQIJCEXUDZVKTI-LJQANCHMSA-N 2 1 317.521 3.076 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001660968461 1196547339 /nfs/dbraw/zinc/54/73/39/1196547339.db2.gz JQIJCEXUDZVKTI-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001660968461 1196547342 /nfs/dbraw/zinc/54/73/42/1196547342.db2.gz JQIJCEXUDZVKTI-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001660968461 1196547343 /nfs/dbraw/zinc/54/73/43/1196547343.db2.gz JQIJCEXUDZVKTI-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP CC[NH+]1CC[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001660968461 1196547351 /nfs/dbraw/zinc/54/73/51/1196547351.db2.gz JQIJCEXUDZVKTI-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC001662169002 1196689874 /nfs/dbraw/zinc/68/98/74/1196689874.db2.gz XFOYXMYFMZURJU-LZLYRXPVSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC001662169002 1196689878 /nfs/dbraw/zinc/68/98/78/1196689878.db2.gz XFOYXMYFMZURJU-LZLYRXPVSA-N 2 1 300.446 3.289 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001662188826 1196692176 /nfs/dbraw/zinc/69/21/76/1196692176.db2.gz YCGVTJOCVMFKJE-NTDBWNAOSA-N 2 1 308.510 3.433 20 0 DGADMP CCCn1cncc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188164 1196692395 /nfs/dbraw/zinc/69/23/95/1196692395.db2.gz NQNHLTOXAGRCSZ-HOTGVXAUSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1cncc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188164 1196692397 /nfs/dbraw/zinc/69/23/97/1196692397.db2.gz NQNHLTOXAGRCSZ-HOTGVXAUSA-N 2 1 304.482 3.036 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000078911089 1196816215 /nfs/dbraw/zinc/81/62/15/1196816215.db2.gz KECLMFBXCGPWMR-INIZCTEOSA-N 2 1 318.461 3.058 20 0 DGADMP CC[N@H+](CC=C(C)C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001663397154 1196855993 /nfs/dbraw/zinc/85/59/93/1196855993.db2.gz UWUCQTZGHGVGQT-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC=C(C)C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001663397154 1196856000 /nfs/dbraw/zinc/85/60/00/1196856000.db2.gz UWUCQTZGHGVGQT-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC=C(C)C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001663397154 1196856008 /nfs/dbraw/zinc/85/60/08/1196856008.db2.gz UWUCQTZGHGVGQT-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1Br ZINC001663482463 1196883372 /nfs/dbraw/zinc/88/33/72/1196883372.db2.gz CGLTZRCHYVMLEN-IJEWVQPXSA-N 2 1 323.278 3.187 20 0 DGADMP C[C@@H](Cc1ccno1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001664515118 1197008672 /nfs/dbraw/zinc/00/86/72/1197008672.db2.gz UYQUOUNIRUOCLC-LPHOPBHVSA-N 2 1 313.445 3.107 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001664878924 1197074692 /nfs/dbraw/zinc/07/46/92/1197074692.db2.gz IYFOKKCSHFIBMJ-JKSUJKDBSA-N 2 1 320.477 3.446 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001664878924 1197074698 /nfs/dbraw/zinc/07/46/98/1197074698.db2.gz IYFOKKCSHFIBMJ-JKSUJKDBSA-N 2 1 320.477 3.446 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C2 ZINC001665160991 1197104187 /nfs/dbraw/zinc/10/41/87/1197104187.db2.gz XVQHBAWGVZMOTH-KRWDZBQOSA-N 2 1 304.478 3.120 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)CC1 ZINC001665359811 1197128665 /nfs/dbraw/zinc/12/86/65/1197128665.db2.gz SMDFEJQFWOJGIF-GOSISDBHSA-N 2 1 318.461 3.165 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC001665937155 1197218303 /nfs/dbraw/zinc/21/83/03/1197218303.db2.gz NFWLTLRIZASWNY-RCBQFDQVSA-N 2 1 313.272 3.466 20 0 DGADMP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001667258273 1197333671 /nfs/dbraw/zinc/33/36/71/1197333671.db2.gz ZYYICNHEVZQJOP-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000322965194 1197689037 /nfs/dbraw/zinc/68/90/37/1197689037.db2.gz VRFKHBSNUZVOSS-YLJYHZDGSA-N 2 1 316.489 3.482 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@H]12 ZINC000323926702 1197691430 /nfs/dbraw/zinc/69/14/30/1197691430.db2.gz WPRIFAQCOSJBCC-SESVDKBCSA-N 2 1 306.453 3.488 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000378891255 1197701379 /nfs/dbraw/zinc/70/13/79/1197701379.db2.gz QSILBJXCSBIFQG-FRQCXROJSA-N 2 1 300.446 3.289 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000093067161 1198650177 /nfs/dbraw/zinc/65/01/77/1198650177.db2.gz WVVXBWZKHKXRKG-UHFFFAOYSA-N 2 1 315.486 3.373 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000093067161 1198650185 /nfs/dbraw/zinc/65/01/85/1198650185.db2.gz WVVXBWZKHKXRKG-UHFFFAOYSA-N 2 1 315.486 3.373 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000097465639 1199135351 /nfs/dbraw/zinc/13/53/51/1199135351.db2.gz ZPHQVTWWVMCHSO-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP CO[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400170612 1199345531 /nfs/dbraw/zinc/34/55/31/1199345531.db2.gz KIYDXYWSMLSKQN-ICSRJNTNSA-N 2 1 316.489 3.303 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(Br)cc1 ZINC000300527812 1199365064 /nfs/dbraw/zinc/36/50/64/1199365064.db2.gz JFDHFIASTOCJHR-IUODEOHRSA-N 2 1 311.267 3.064 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@H](C)Cc1ccc(Br)cc1 ZINC000300527812 1199365068 /nfs/dbraw/zinc/36/50/68/1199365068.db2.gz JFDHFIASTOCJHR-IUODEOHRSA-N 2 1 311.267 3.064 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000103344490 1199490502 /nfs/dbraw/zinc/49/05/02/1199490502.db2.gz AUWBIWPHZRKIDS-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000105457751 1199542283 /nfs/dbraw/zinc/54/22/83/1199542283.db2.gz DJOIWOHTJLMCEA-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP CCC(CC)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000107801645 1199589623 /nfs/dbraw/zinc/58/96/23/1199589623.db2.gz XVZNRWXOOIFDAY-UHFFFAOYSA-N 2 1 317.521 3.350 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+](CCN)Cc2ccccc2)cc1 ZINC000303914510 1199601675 /nfs/dbraw/zinc/60/16/75/1199601675.db2.gz HSLSIVULKJKDNL-QGZVFWFLSA-N 2 1 312.457 3.477 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+](CCN)Cc2ccccc2)cc1 ZINC000303914510 1199601677 /nfs/dbraw/zinc/60/16/77/1199601677.db2.gz HSLSIVULKJKDNL-QGZVFWFLSA-N 2 1 312.457 3.477 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000303914510 1199601680 /nfs/dbraw/zinc/60/16/80/1199601680.db2.gz HSLSIVULKJKDNL-QGZVFWFLSA-N 2 1 312.457 3.477 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000303914510 1199601683 /nfs/dbraw/zinc/60/16/83/1199601683.db2.gz HSLSIVULKJKDNL-QGZVFWFLSA-N 2 1 312.457 3.477 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OCC(C)C ZINC000108428867 1199603988 /nfs/dbraw/zinc/60/39/88/1199603988.db2.gz VPQNRBFIAYOAPR-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cccc(Br)c2)CC1 ZINC000313707120 1199773149 /nfs/dbraw/zinc/77/31/49/1199773149.db2.gz YUAWBHXHQISNMP-OAHLLOKOSA-N 2 1 311.267 3.066 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C(C)(C)C ZINC000116379209 1199797680 /nfs/dbraw/zinc/79/76/80/1199797680.db2.gz GEEQNZPTBDNFKW-GOSISDBHSA-N 2 1 314.477 3.328 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc12 ZINC000119406277 1200065093 /nfs/dbraw/zinc/06/50/93/1200065093.db2.gz JCXCOTPNVXDZJT-OAHLLOKOSA-N 2 1 310.441 3.422 20 0 DGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC000119751703 1200116147 /nfs/dbraw/zinc/11/61/47/1200116147.db2.gz BTZAVNPHJNOVOM-UHFFFAOYSA-N 2 1 320.383 3.195 20 0 DGADMP COCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000120756451 1200168758 /nfs/dbraw/zinc/16/87/58/1200168758.db2.gz XCHZXVVCMMRLAW-LJQANCHMSA-N 2 1 304.478 3.291 20 0 DGADMP CC/C=C/CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754311114 1200197996 /nfs/dbraw/zinc/19/79/96/1200197996.db2.gz NDUMVBBPGHDDSR-IWAYRVGRSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000121805027 1200239284 /nfs/dbraw/zinc/23/92/84/1200239284.db2.gz VEKBMRQSCKTAFW-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000121805027 1200239287 /nfs/dbraw/zinc/23/92/87/1200239287.db2.gz VEKBMRQSCKTAFW-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000121939148 1200250149 /nfs/dbraw/zinc/25/01/49/1200250149.db2.gz HXKHHWOFJDMCJD-MRXNPFEDSA-N 2 1 317.477 3.258 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000122528924 1200268735 /nfs/dbraw/zinc/26/87/35/1200268735.db2.gz BVNPELKIPICZCN-OAHLLOKOSA-N 2 1 313.420 3.319 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000122528924 1200268742 /nfs/dbraw/zinc/26/87/42/1200268742.db2.gz BVNPELKIPICZCN-OAHLLOKOSA-N 2 1 313.420 3.319 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)s2)o1 ZINC000125422283 1200390838 /nfs/dbraw/zinc/39/08/38/1200390838.db2.gz LQSKKHLTONBROV-ZDUSSCGKSA-N 2 1 317.458 3.285 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)s2)o1 ZINC000125422283 1200390844 /nfs/dbraw/zinc/39/08/44/1200390844.db2.gz LQSKKHLTONBROV-ZDUSSCGKSA-N 2 1 317.458 3.285 20 0 DGADMP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2)nc1 ZINC000126705810 1200604180 /nfs/dbraw/zinc/60/41/80/1200604180.db2.gz DZKLAAWZNLMWOE-KRWDZBQOSA-N 2 1 307.441 3.323 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1C ZINC000133118487 1201187705 /nfs/dbraw/zinc/18/77/05/1201187705.db2.gz IWCAKWSLBCOFQC-UHFFFAOYSA-N 2 1 306.498 3.262 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000133948904 1201197649 /nfs/dbraw/zinc/19/76/49/1201197649.db2.gz LJYSISWLXNMTJM-KRWDZBQOSA-N 2 1 306.498 3.120 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000133948904 1201197653 /nfs/dbraw/zinc/19/76/53/1201197653.db2.gz LJYSISWLXNMTJM-KRWDZBQOSA-N 2 1 306.498 3.120 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000134279203 1201198810 /nfs/dbraw/zinc/19/88/10/1201198810.db2.gz YPKKFPJWELTERP-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000134279203 1201198814 /nfs/dbraw/zinc/19/88/14/1201198814.db2.gz YPKKFPJWELTERP-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001700765104 1202350381 /nfs/dbraw/zinc/35/03/81/1202350381.db2.gz MLPSOIAZZHSTEN-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C)nc2)cc1F ZINC000155577363 1202599030 /nfs/dbraw/zinc/59/90/30/1202599030.db2.gz LMHYVNIPSHNZIO-UHFFFAOYSA-N 2 1 310.376 3.313 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235155100 1202604164 /nfs/dbraw/zinc/60/41/64/1202604164.db2.gz ZEZAMLAFHSTRRQ-CHWSQXEVSA-N 2 1 311.267 3.442 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC=C(C)C ZINC001713002269 1202609432 /nfs/dbraw/zinc/60/94/32/1202609432.db2.gz JCTIACHOBPFANZ-MSOLQXFVSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236633371 1202615182 /nfs/dbraw/zinc/61/51/82/1202615182.db2.gz GEFHFLFOHYQXSG-GOSISDBHSA-N 2 1 306.494 3.141 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1)[NH+](C)C ZINC000236700074 1202621519 /nfs/dbraw/zinc/62/15/19/1202621519.db2.gz DSCRKCFLWJGMLX-QAPCUYQASA-N 2 1 319.493 3.360 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000237355833 1202672146 /nfs/dbraw/zinc/67/21/46/1202672146.db2.gz XQGWUWIRESBWSN-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000237503078 1202675664 /nfs/dbraw/zinc/67/56/64/1202675664.db2.gz KFFWPYUYGNYUJJ-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001714109016 1202782333 /nfs/dbraw/zinc/78/23/33/1202782333.db2.gz UAQZQUXXEXLKLG-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001714109016 1202782336 /nfs/dbraw/zinc/78/23/36/1202782336.db2.gz UAQZQUXXEXLKLG-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001714109016 1202782340 /nfs/dbraw/zinc/78/23/40/1202782340.db2.gz UAQZQUXXEXLKLG-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000162016381 1202934207 /nfs/dbraw/zinc/93/42/07/1202934207.db2.gz NKSPPEMQEJLDLK-LLVKDONJSA-N 2 1 316.342 3.418 20 0 DGADMP CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715074507 1203263790 /nfs/dbraw/zinc/26/37/90/1203263790.db2.gz NZUBGLKDZOTFRQ-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001731539771 1204450413 /nfs/dbraw/zinc/45/04/13/1204450413.db2.gz XGUPRGQTSSIXCY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001731539771 1204450416 /nfs/dbraw/zinc/45/04/16/1204450416.db2.gz XGUPRGQTSSIXCY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731539771 1204450418 /nfs/dbraw/zinc/45/04/18/1204450418.db2.gz XGUPRGQTSSIXCY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001731539771 1204450421 /nfs/dbraw/zinc/45/04/21/1204450421.db2.gz XGUPRGQTSSIXCY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733055145 1205007307 /nfs/dbraw/zinc/00/73/07/1205007307.db2.gz SSBSNVLBWVPMPT-MZIIKBMYSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001733055145 1205007311 /nfs/dbraw/zinc/00/73/11/1205007311.db2.gz SSBSNVLBWVPMPT-MZIIKBMYSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733055145 1205007315 /nfs/dbraw/zinc/00/73/15/1205007315.db2.gz SSBSNVLBWVPMPT-MZIIKBMYSA-N 2 1 323.525 3.042 20 0 DGADMP COc1ccc2c(C)cc(N3CCC(C[NH+](C)C)CC3)[nH+]c2c1 ZINC001165041621 721946825 /nfs/dbraw/zinc/94/68/25/721946825.db2.gz GKIRNTDLPAYFFM-UHFFFAOYSA-N 2 1 313.445 3.330 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Br ZINC001205266467 1083943144 /nfs/dbraw/zinc/94/31/44/1083943144.db2.gz VBDNZOWSSZPVTG-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Br ZINC001205266467 1083943158 /nfs/dbraw/zinc/94/31/58/1083943158.db2.gz VBDNZOWSSZPVTG-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP CC/C=C\CC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001208728056 1081644095 /nfs/dbraw/zinc/64/40/95/1081644095.db2.gz OGHBMUXTTNTHAT-ARJAWSKDSA-N 2 1 316.493 3.083 20 0 DGADMP COCc1csc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001206800810 1081655171 /nfs/dbraw/zinc/65/51/71/1081655171.db2.gz OATWKOVSGAYENQ-WMLDXEAASA-N 2 1 310.507 3.447 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169923825 1081682094 /nfs/dbraw/zinc/68/20/94/1081682094.db2.gz JGDBSIDKXLNPTP-SZMVWBNQSA-N 2 1 324.509 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2F)CCC[C@H]1C[NH3+] ZINC001206036340 1082076430 /nfs/dbraw/zinc/07/64/30/1082076430.db2.gz IRKXLQZVQDPIFL-MNOVXSKESA-N 2 1 319.346 3.046 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170111178 1082109635 /nfs/dbraw/zinc/10/96/35/1082109635.db2.gz AYQAONUZVDNYCB-VQIMIIECSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398344333 1082135643 /nfs/dbraw/zinc/13/56/43/1082135643.db2.gz WHUVUCTVVWXTET-IDCXYZFESA-N 2 1 324.443 3.477 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398344333 1082135648 /nfs/dbraw/zinc/13/56/48/1082135648.db2.gz WHUVUCTVVWXTET-IDCXYZFESA-N 2 1 324.443 3.477 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)C1 ZINC001170139728 1082183641 /nfs/dbraw/zinc/18/36/41/1082183641.db2.gz WMUMZYQZZNNIOY-FXUDXRNXSA-N 2 1 305.491 3.228 20 0 DGADMP Brc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000707910251 1082467244 /nfs/dbraw/zinc/46/72/44/1082467244.db2.gz YYWYSDOFWKLQTO-LBPRGKRZSA-N 2 1 309.251 3.154 20 0 DGADMP Brc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000707910251 1082467250 /nfs/dbraw/zinc/46/72/50/1082467250.db2.gz YYWYSDOFWKLQTO-LBPRGKRZSA-N 2 1 309.251 3.154 20 0 DGADMP CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140406 1082823847 /nfs/dbraw/zinc/82/38/47/1082823847.db2.gz IFBFYCRZXPYDAK-HZPDHXFCSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140406 1082823850 /nfs/dbraw/zinc/82/38/50/1082823850.db2.gz IFBFYCRZXPYDAK-HZPDHXFCSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140406 1082823854 /nfs/dbraw/zinc/82/38/54/1082823854.db2.gz IFBFYCRZXPYDAK-HZPDHXFCSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207703 1082840049 /nfs/dbraw/zinc/84/00/49/1082840049.db2.gz VZIJZBGJLFDSJK-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207703 1082840053 /nfs/dbraw/zinc/84/00/53/1082840053.db2.gz VZIJZBGJLFDSJK-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207703 1082840059 /nfs/dbraw/zinc/84/00/59/1082840059.db2.gz VZIJZBGJLFDSJK-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269586 1082863905 /nfs/dbraw/zinc/86/39/05/1082863905.db2.gz MFKDMHQDMKRAAQ-KBSZCIAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410426 1082905002 /nfs/dbraw/zinc/90/50/02/1082905002.db2.gz LMWCMMBZLVKZMD-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410426 1082905006 /nfs/dbraw/zinc/90/50/06/1082905006.db2.gz LMWCMMBZLVKZMD-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410426 1082905010 /nfs/dbraw/zinc/90/50/10/1082905010.db2.gz LMWCMMBZLVKZMD-CWDJHMJFSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748035 1083278890 /nfs/dbraw/zinc/27/88/90/1083278890.db2.gz WZILJFIWOPSNOL-FTEYMNFISA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748035 1083278894 /nfs/dbraw/zinc/27/88/94/1083278894.db2.gz WZILJFIWOPSNOL-FTEYMNFISA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748035 1083278898 /nfs/dbraw/zinc/27/88/98/1083278898.db2.gz WZILJFIWOPSNOL-FTEYMNFISA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748035 1083278899 /nfs/dbraw/zinc/27/88/99/1083278899.db2.gz WZILJFIWOPSNOL-FTEYMNFISA-N 2 1 320.521 3.244 20 0 DGADMP CCCC[NH+](CCCC)CCNc1cc[nH+]c(N2CCCC2)n1 ZINC001167733474 1083311128 /nfs/dbraw/zinc/31/11/28/1083311128.db2.gz WVACDLIYAAWOJT-UHFFFAOYSA-N 2 1 319.497 3.391 20 0 DGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612466 1083311886 /nfs/dbraw/zinc/31/18/86/1083311886.db2.gz MQWNLCNUMBHLCX-NXVGNOFTSA-N 2 1 323.525 3.090 20 0 DGADMP CCCCc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)s1 ZINC001222181793 1083544613 /nfs/dbraw/zinc/54/46/13/1083544613.db2.gz ZPUDTKQJYSTQLW-UHFFFAOYSA-N 2 1 308.491 3.045 20 0 DGADMP Cc1cc(NC2CC2)nc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001167748870 1083597191 /nfs/dbraw/zinc/59/71/91/1083597191.db2.gz SZROXMLVDLIZGF-CQSZACIVSA-N 2 1 303.454 3.036 20 0 DGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC000709479538 1083676929 /nfs/dbraw/zinc/67/69/29/1083676929.db2.gz CGQBDFXKAASRID-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255136 1083911714 /nfs/dbraw/zinc/91/17/14/1083911714.db2.gz KGKAMSRDBKBIOA-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1cccc(N2CCCC[C@H]2C)[nH+]1 ZINC001167786095 1083933018 /nfs/dbraw/zinc/93/30/18/1083933018.db2.gz JJMZULXGYZYCPJ-CYBMUJFWSA-N 2 1 311.433 3.358 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCC1 ZINC001268039840 1083941869 /nfs/dbraw/zinc/94/18/69/1083941869.db2.gz PBJRFRULMVAGQK-QGZVFWFLSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CCN1c1cc[nH+]cc1 ZINC001183533376 1083973182 /nfs/dbraw/zinc/97/31/82/1083973182.db2.gz KQQPQRGDJKYMKV-INIZCTEOSA-N 2 1 307.441 3.281 20 0 DGADMP CCO[C@@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC001183754755 1084026732 /nfs/dbraw/zinc/02/67/32/1084026732.db2.gz JWXDTVFMHNSBSL-HNNXBMFYSA-N 2 1 319.276 3.092 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001648930021 1084036050 /nfs/dbraw/zinc/03/60/50/1084036050.db2.gz QIMYKRPJSXUEFQ-UHFFFAOYSA-N 2 1 316.489 3.230 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001184066983 1084090664 /nfs/dbraw/zinc/09/06/64/1084090664.db2.gz POZAANMVDDUWNV-VTYIMSSISA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001184066983 1084090675 /nfs/dbraw/zinc/09/06/75/1084090675.db2.gz POZAANMVDDUWNV-VTYIMSSISA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001184066983 1084090683 /nfs/dbraw/zinc/09/06/83/1084090683.db2.gz POZAANMVDDUWNV-VTYIMSSISA-N 2 1 314.473 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001184066983 1084090692 /nfs/dbraw/zinc/09/06/92/1084090692.db2.gz POZAANMVDDUWNV-VTYIMSSISA-N 2 1 314.473 3.120 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC001184303223 1084143670 /nfs/dbraw/zinc/14/36/70/1084143670.db2.gz NSHDHGCTIWTOTE-RZXSNQJFSA-N 2 1 312.501 3.454 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001167837139 1084161228 /nfs/dbraw/zinc/16/12/28/1084161228.db2.gz ICJGMPMZAWRLND-HNNXBMFYSA-N 2 1 300.487 3.161 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC001205296849 1084184183 /nfs/dbraw/zinc/18/41/83/1084184183.db2.gz UZGRATOAWLGLHG-YPMHNXCESA-N 2 1 301.261 3.453 20 0 DGADMP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167958508 1085616924 /nfs/dbraw/zinc/61/69/24/1085616924.db2.gz GGAFEGMFRCDOLD-YQQQUEKLSA-N 2 1 302.437 3.363 20 0 DGADMP CN(C)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962597 1085772732 /nfs/dbraw/zinc/77/27/32/1085772732.db2.gz YVYVYOAURXLRRD-YQQQUEKLSA-N 2 1 313.489 3.248 20 0 DGADMP c1ccc(COCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167963873 1085822345 /nfs/dbraw/zinc/82/23/45/1085822345.db2.gz GRMJSLVALYELLG-IHWFROFDSA-N 2 1 314.473 3.198 20 0 DGADMP c1cc2c(cn1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167977817 1085929365 /nfs/dbraw/zinc/92/93/65/1085929365.db2.gz FPVXSVVTQWAJCT-DLZDZTESSA-N 2 1 311.473 3.454 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC001143575839 1085931570 /nfs/dbraw/zinc/93/15/70/1085931570.db2.gz OASFVWWDWYZHPZ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COC(C)(C)[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995721 1086064701 /nfs/dbraw/zinc/06/47/01/1086064701.db2.gz OWICELLVKNBBPQ-UJJTZGENSA-N 2 1 306.494 3.281 20 0 DGADMP COC(C)(C)[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995721 1086064709 /nfs/dbraw/zinc/06/47/09/1086064709.db2.gz OWICELLVKNBBPQ-UJJTZGENSA-N 2 1 306.494 3.281 20 0 DGADMP COC(C)(C)[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995721 1086064718 /nfs/dbraw/zinc/06/47/18/1086064718.db2.gz OWICELLVKNBBPQ-UJJTZGENSA-N 2 1 306.494 3.281 20 0 DGADMP CC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007063 1086160508 /nfs/dbraw/zinc/16/05/08/1086160508.db2.gz QQDBNJRTBAOCBC-OPVJXMOQSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204757547 1086173436 /nfs/dbraw/zinc/17/34/36/1086173436.db2.gz ZPVOZABBESMXDB-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cnccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012620 1086245833 /nfs/dbraw/zinc/24/58/33/1086245833.db2.gz DEGIVGQIUFINEJ-XEMDLRDOSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018818 1086335859 /nfs/dbraw/zinc/33/58/59/1086335859.db2.gz FESRTIWVXIHBCS-HAYURNKSSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018818 1086335870 /nfs/dbraw/zinc/33/58/70/1086335870.db2.gz FESRTIWVXIHBCS-HAYURNKSSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@H]1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168031560 1086463114 /nfs/dbraw/zinc/46/31/14/1086463114.db2.gz ZUIOQEKUVHDEIA-CAMMJAKZSA-N 3 1 315.505 3.288 20 0 DGADMP C[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1O ZINC001168040250 1086502780 /nfs/dbraw/zinc/50/27/80/1086502780.db2.gz LRKSOXSSMKNKRK-NHAYFPRASA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1O ZINC001168040250 1086502784 /nfs/dbraw/zinc/50/27/84/1086502784.db2.gz LRKSOXSSMKNKRK-NHAYFPRASA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCOC[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041091 1086506194 /nfs/dbraw/zinc/50/61/94/1086506194.db2.gz QSIYMSIHGSLEIW-RCCFBDPRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC([N@H+]2CCOC[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041091 1086506201 /nfs/dbraw/zinc/50/62/01/1086506201.db2.gz QSIYMSIHGSLEIW-RCCFBDPRSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@@H](C)C1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056892 1086627593 /nfs/dbraw/zinc/62/75/93/1086627593.db2.gz JODWKGDNNSTDQS-CLWJZODNSA-N 2 1 316.489 3.395 20 0 DGADMP C[C@@H]1CC(N(C)[C@H]2CC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065189 1086660416 /nfs/dbraw/zinc/66/04/16/1086660416.db2.gz UNWLNPBZZXNYGC-LMMKCTJWSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001168070146 1086725458 /nfs/dbraw/zinc/72/54/58/1086725458.db2.gz BYSYWFRYXNZQFJ-ZMHJYQQXSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001168121957 1086945336 /nfs/dbraw/zinc/94/53/36/1086945336.db2.gz ONUZFDKSDQSCIS-FUHWJXTLSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144007 1086984591 /nfs/dbraw/zinc/98/45/91/1086984591.db2.gz STQJGLGQYCOBKQ-HNAYVOBHSA-N 2 1 320.452 3.289 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144007 1086984594 /nfs/dbraw/zinc/98/45/94/1086984594.db2.gz STQJGLGQYCOBKQ-HNAYVOBHSA-N 2 1 320.452 3.289 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@H+](Cc1ccccc1)C[C@H](C)C[NH3+])C2 ZINC001168242662 1087069103 /nfs/dbraw/zinc/06/91/03/1087069103.db2.gz DSLKDPZRDVYQHF-OXQOHEQNSA-N 2 1 324.468 3.259 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001168252400 1087073991 /nfs/dbraw/zinc/07/39/91/1087073991.db2.gz POOFEJYWQAHZBB-QZTJIDSGSA-N 2 1 314.473 3.159 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001168252400 1087073995 /nfs/dbraw/zinc/07/39/95/1087073995.db2.gz POOFEJYWQAHZBB-QZTJIDSGSA-N 2 1 314.473 3.159 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC001168314095 1087291511 /nfs/dbraw/zinc/29/15/11/1087291511.db2.gz JSRYBBDIXDJYQF-UHFFFAOYSA-N 2 1 315.383 3.405 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001168321579 1087293378 /nfs/dbraw/zinc/29/33/78/1087293378.db2.gz IGEWVUNBMNMGIY-RDLPGAODSA-N 2 1 320.521 3.386 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168328189 1087295300 /nfs/dbraw/zinc/29/53/00/1087295300.db2.gz ZALSTZMLAANFKL-BTRQGYIVSA-N 3 1 307.526 3.198 20 0 DGADMP C[NH+](C)C1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001168328189 1087295302 /nfs/dbraw/zinc/29/53/02/1087295302.db2.gz ZALSTZMLAANFKL-BTRQGYIVSA-N 3 1 307.526 3.198 20 0 DGADMP C[NH+](C)C1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001168328189 1087295305 /nfs/dbraw/zinc/29/53/05/1087295305.db2.gz ZALSTZMLAANFKL-BTRQGYIVSA-N 3 1 307.526 3.198 20 0 DGADMP CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168328189 1087295310 /nfs/dbraw/zinc/29/53/10/1087295310.db2.gz ZALSTZMLAANFKL-BTRQGYIVSA-N 2 1 307.526 3.198 20 0 DGADMP CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168328189 1087295314 /nfs/dbraw/zinc/29/53/14/1087295314.db2.gz ZALSTZMLAANFKL-BTRQGYIVSA-N 2 1 307.526 3.198 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371367 1087446868 /nfs/dbraw/zinc/44/68/68/1087446868.db2.gz FCRQBMJXQDHGLN-QGZVFWFLSA-N 2 1 314.473 3.359 20 0 DGADMP Fc1cccc([C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168387337 1087547413 /nfs/dbraw/zinc/54/74/13/1087547413.db2.gz DSFFKHSSYFEVNQ-QGZVFWFLSA-N 2 1 302.437 3.489 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001168395082 1087551381 /nfs/dbraw/zinc/55/13/81/1087551381.db2.gz LCHWOKYCTIYJGV-LJQANCHMSA-N 2 1 306.494 3.142 20 0 DGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001168395082 1087551383 /nfs/dbraw/zinc/55/13/83/1087551383.db2.gz LCHWOKYCTIYJGV-LJQANCHMSA-N 2 1 306.494 3.142 20 0 DGADMP CCCCCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158356926 1087790024 /nfs/dbraw/zinc/79/00/24/1087790024.db2.gz WWJROPYNFCQUGR-MRXNPFEDSA-N 2 1 322.497 3.073 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205130888 1088078125 /nfs/dbraw/zinc/07/81/25/1088078125.db2.gz NUYOOTKUVUVFFW-WCQYABFASA-N 2 1 301.261 3.453 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313430 1088215259 /nfs/dbraw/zinc/21/52/59/1088215259.db2.gz QPWFFQDWUOOARK-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313430 1088215272 /nfs/dbraw/zinc/21/52/72/1088215272.db2.gz QPWFFQDWUOOARK-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313430 1088215284 /nfs/dbraw/zinc/21/52/84/1088215284.db2.gz QPWFFQDWUOOARK-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)CC1CC[NH2+]CC1 ZINC001235434001 1088340289 /nfs/dbraw/zinc/34/02/89/1088340289.db2.gz WEXQAKHUFOCVCM-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819070 1088374406 /nfs/dbraw/zinc/37/44/06/1088374406.db2.gz MDXDHGILVDKBHX-MSOLQXFVSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819070 1088374422 /nfs/dbraw/zinc/37/44/22/1088374422.db2.gz MDXDHGILVDKBHX-MSOLQXFVSA-N 2 1 323.525 3.042 20 0 DGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819070 1088374433 /nfs/dbraw/zinc/37/44/33/1088374433.db2.gz MDXDHGILVDKBHX-MSOLQXFVSA-N 2 1 323.525 3.042 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Br)c3ccccc23)C1 ZINC001235749550 1088392592 /nfs/dbraw/zinc/39/25/92/1088392592.db2.gz IBKUJEPEJSLOOC-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3ccccc23)C1 ZINC001235749550 1088392606 /nfs/dbraw/zinc/39/26/06/1088392606.db2.gz IBKUJEPEJSLOOC-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235937933 1088482134 /nfs/dbraw/zinc/48/21/34/1088482134.db2.gz JRLBFYZXWPHYSU-UONOGXRCSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235937933 1088482146 /nfs/dbraw/zinc/48/21/46/1088482146.db2.gz JRLBFYZXWPHYSU-UONOGXRCSA-N 2 1 323.278 3.107 20 0 DGADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159910739 1088544434 /nfs/dbraw/zinc/54/44/34/1088544434.db2.gz UJALSSJPYDIDCX-DKFQHHCZSA-N 2 1 323.525 3.092 20 0 DGADMP c1[nH]c2ccc(Nc3ccccc3O[C@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001160234409 1088714151 /nfs/dbraw/zinc/71/41/51/1088714151.db2.gz WOIMSQPDKRGXGY-AWEZNQCLSA-N 2 1 308.385 3.437 20 0 DGADMP CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844690 1088787917 /nfs/dbraw/zinc/78/79/17/1088787917.db2.gz VAEHSXAAMLTEMT-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844690 1088787928 /nfs/dbraw/zinc/78/79/28/1088787928.db2.gz VAEHSXAAMLTEMT-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844690 1088787940 /nfs/dbraw/zinc/78/79/40/1088787940.db2.gz VAEHSXAAMLTEMT-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP FC(F)(F)[C@H]1C[NH2+]CC[C@H]1Nc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001160743890 1088938965 /nfs/dbraw/zinc/93/89/65/1088938965.db2.gz OYHNCUYFUYRTPL-WCQYABFASA-N 2 1 324.350 3.004 20 0 DGADMP CC(C)c1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]c1 ZINC001155385109 1089087774 /nfs/dbraw/zinc/08/77/74/1089087774.db2.gz WHYREONJPNFECO-INIZCTEOSA-N 2 1 303.450 3.166 20 0 DGADMP Clc1ccc(C[NH+]2CCCC2)c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001155404153 1089095381 /nfs/dbraw/zinc/09/53/81/1089095381.db2.gz XQSRQDGKUXJIGQ-WMLDXEAASA-N 2 1 320.868 3.027 20 0 DGADMP Cc1c[nH+]c(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c(C)c1 ZINC001161130823 1089130014 /nfs/dbraw/zinc/13/00/14/1089130014.db2.gz DJJHIPMOYDPZEC-UHFFFAOYSA-N 2 1 311.429 3.481 20 0 DGADMP COCCC1(CNc2[nH+]ccc3ccc(C)cc32)CC[NH2+]CC1 ZINC001161503511 1089264638 /nfs/dbraw/zinc/26/46/38/1089264638.db2.gz LKVFCIUPLLWIFU-UHFFFAOYSA-N 2 1 313.445 3.361 20 0 DGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161651130 1089329862 /nfs/dbraw/zinc/32/98/62/1089329862.db2.gz RFXRGNAWCMVPRT-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161651130 1089329874 /nfs/dbraw/zinc/32/98/74/1089329874.db2.gz RFXRGNAWCMVPRT-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP CCCCCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161651130 1089329884 /nfs/dbraw/zinc/32/98/84/1089329884.db2.gz RFXRGNAWCMVPRT-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP Cc1c[nH+]c(NCc2cccc(C[NH+](C)C)c2)nc1NC(C)C ZINC001156044079 1089361620 /nfs/dbraw/zinc/36/16/20/1089361620.db2.gz JIEQTTDMRWPIDR-UHFFFAOYSA-N 2 1 313.449 3.279 20 0 DGADMP Cc1csc2c1nc(Cl)cc2NCC[NH+]1CCC([NH3+])CC1 ZINC001161870733 1089445990 /nfs/dbraw/zinc/44/59/90/1089445990.db2.gz NVZMKXLVGFNBQQ-UHFFFAOYSA-N 2 1 324.881 3.093 20 0 DGADMP COc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001156315182 1089475598 /nfs/dbraw/zinc/47/55/98/1089475598.db2.gz KOKHJUKZICVAAD-YTQUADARSA-N 2 1 323.440 3.413 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2C[C@@](C)([NH3+])C2)nc1 ZINC001162330552 1089675514 /nfs/dbraw/zinc/67/55/14/1089675514.db2.gz GPBBVYZSSDBLBE-NUJGCVRESA-N 2 1 302.466 3.310 20 0 DGADMP C[N@@H+](Cc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1)C1CC1 ZINC001156775636 1089690184 /nfs/dbraw/zinc/69/01/84/1089690184.db2.gz YXMVDHAEEHLMBU-UHFFFAOYSA-N 2 1 316.493 3.161 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001162355578 1089693858 /nfs/dbraw/zinc/69/38/58/1089693858.db2.gz CHLVEOUDVCCTRW-LBPRGKRZSA-N 2 1 315.383 3.445 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001162355578 1089693866 /nfs/dbraw/zinc/69/38/66/1089693866.db2.gz CHLVEOUDVCCTRW-LBPRGKRZSA-N 2 1 315.383 3.445 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092399 1089824142 /nfs/dbraw/zinc/82/41/42/1089824142.db2.gz WLVCGGCZUTUMKV-IPLHWJFFSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1 ZINC001157451619 1089973904 /nfs/dbraw/zinc/97/39/04/1089973904.db2.gz GMDZMLVLZSFCMY-IKGGRYGDSA-N 2 1 320.456 3.131 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(NCc3ccc4c(c3)CC[NH2+]C4)cc2)C1 ZINC001162816153 1089973980 /nfs/dbraw/zinc/97/39/80/1089973980.db2.gz MLADABLOFUOTAH-HXUWFJFHSA-N 2 1 321.468 3.364 20 0 DGADMP C[N@@H+](Cc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)nc1)C1CC1 ZINC001157751782 1090098301 /nfs/dbraw/zinc/09/83/01/1090098301.db2.gz MDXWXLOUVWFSFX-MRXNPFEDSA-N 2 1 322.456 3.260 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(N3CCCC3)cc[nH+]2)[C@H](C)C1 ZINC001163365839 1090165433 /nfs/dbraw/zinc/16/54/33/1090165433.db2.gz OAGFLEOALLYIDM-NVXWUHKLSA-N 2 1 302.466 3.213 20 0 DGADMP CCN(c1ccc([C@@H]2CCCC[N@H+]2CC)cn1)[C@H]1CCC[NH2+]C1 ZINC001158207533 1090201828 /nfs/dbraw/zinc/20/18/28/1090201828.db2.gz OHOXJDZYNMZTDI-ROUUACIJSA-N 2 1 316.493 3.207 20 0 DGADMP Cc1cccc2nc(CCNc3ccncc3C(F)(F)F)cn21 ZINC001163643822 1090222917 /nfs/dbraw/zinc/22/29/17/1090222917.db2.gz XALXVOJWXJKJPZ-UHFFFAOYSA-N 2 1 320.318 3.133 20 0 DGADMP CC(C)(C)c1cc[nH+]c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001163654370 1090223780 /nfs/dbraw/zinc/22/37/80/1090223780.db2.gz YXOBPXFXGQQNRY-MAUKXSAKSA-N 2 1 303.450 3.092 20 0 DGADMP Cc1c(C)n(-c2c[nH+]c(N(C)C)cc2C)c2ccc(C[NH3+])cc12 ZINC001163760890 1090250996 /nfs/dbraw/zinc/25/09/96/1090250996.db2.gz AQGCQMVOWMOLEK-UHFFFAOYSA-N 2 1 308.429 3.475 20 0 DGADMP C[NH+](C)C1(CNc2cccc(-c3cccnc3)c2)CC[NH+](C)CC1 ZINC001164212874 1090372858 /nfs/dbraw/zinc/37/28/58/1090372858.db2.gz IFMRKPZQWWGMJH-UHFFFAOYSA-N 2 1 324.472 3.187 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C[NH3+])CC[C@H]2C)nc1 ZINC001164473284 1090428395 /nfs/dbraw/zinc/42/83/95/1090428395.db2.gz DZEANRLQZHONNL-SOLBZPMBSA-N 2 1 316.493 3.192 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C[C@@H]2CC[NH2+]C2)nc1 ZINC001165126290 1090467845 /nfs/dbraw/zinc/46/78/45/1090467845.db2.gz YGNIGPNYNOEUAJ-SJLPKXTDSA-N 2 1 316.493 3.064 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001203527143 1090749568 /nfs/dbraw/zinc/74/95/68/1090749568.db2.gz JHCJHOUTVMFGSN-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001203841286 1090818277 /nfs/dbraw/zinc/81/82/77/1090818277.db2.gz NGLVCMZEUVPHNB-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001203841286 1090818282 /nfs/dbraw/zinc/81/82/82/1090818282.db2.gz NGLVCMZEUVPHNB-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP c1csc(C[NH+]2CC3C[NH+](Cc4cccs4)CC3C2)c1 ZINC001204015178 1090869991 /nfs/dbraw/zinc/86/99/91/1090869991.db2.gz YTKJZGSAJOYGBT-UHFFFAOYSA-N 2 1 304.484 3.373 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)s1 ZINC001204032512 1090876790 /nfs/dbraw/zinc/87/67/90/1090876790.db2.gz ZXLXBRKDBOCDDG-UHFFFAOYSA-N 2 1 301.459 3.499 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@](C)(CF)C2)cc1 ZINC001204262967 1090935384 /nfs/dbraw/zinc/93/53/84/1090935384.db2.gz CPSMJNBWIQBNGP-GOSISDBHSA-N 2 1 308.441 3.199 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168703896 1090957718 /nfs/dbraw/zinc/95/77/18/1090957718.db2.gz JSNKELKBGYVXJR-YHUYYLMFSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168703896 1090957721 /nfs/dbraw/zinc/95/77/21/1090957721.db2.gz JSNKELKBGYVXJR-YHUYYLMFSA-N 2 1 304.865 3.412 20 0 DGADMP CC(=O)n1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccc21 ZINC001204409335 1090962851 /nfs/dbraw/zinc/96/28/51/1090962851.db2.gz VCPADDRRKISMJE-UHFFFAOYSA-N 2 1 313.445 3.075 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470436 1090989051 /nfs/dbraw/zinc/98/90/51/1090989051.db2.gz LQFIBNFPZDQQCJ-WMZOPIPTSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@@H](C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470436 1090989056 /nfs/dbraw/zinc/98/90/56/1090989056.db2.gz LQFIBNFPZDQQCJ-WMZOPIPTSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470436 1090989061 /nfs/dbraw/zinc/98/90/61/1090989061.db2.gz LQFIBNFPZDQQCJ-WMZOPIPTSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470436 1090989064 /nfs/dbraw/zinc/98/90/64/1090989064.db2.gz LQFIBNFPZDQQCJ-WMZOPIPTSA-N 2 1 321.534 3.444 20 0 DGADMP Cc1cccc(C[NH+]2CCC([NH3+])CC2)c1OCc1ccccc1 ZINC001204645993 1091011722 /nfs/dbraw/zinc/01/17/22/1091011722.db2.gz FPUXGDSVPSEVJX-UHFFFAOYSA-N 2 1 310.441 3.497 20 0 DGADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001204734790 1091025217 /nfs/dbraw/zinc/02/52/17/1091025217.db2.gz FCDZNXFAKWGNRG-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc21 ZINC001204748729 1091029168 /nfs/dbraw/zinc/02/91/68/1091029168.db2.gz RVDJSBQOZXCTPR-UHFFFAOYSA-N 2 1 313.489 3.035 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204748731 1091029427 /nfs/dbraw/zinc/02/94/27/1091029427.db2.gz SBBGYHAYFBPKEK-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCO1 ZINC001204754869 1091031174 /nfs/dbraw/zinc/03/11/74/1091031174.db2.gz AYEWPFXJXMRWRA-HNNXBMFYSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCO1 ZINC001204754869 1091031182 /nfs/dbraw/zinc/03/11/82/1091031182.db2.gz AYEWPFXJXMRWRA-HNNXBMFYSA-N 2 1 320.820 3.150 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756088 1091032323 /nfs/dbraw/zinc/03/23/23/1091032323.db2.gz LIDDIDRWWDFSMB-GOSISDBHSA-N 2 1 310.441 3.212 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC001204851233 1091047840 /nfs/dbraw/zinc/04/78/40/1091047840.db2.gz XRWDHHJWYOAROL-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC001204851233 1091047844 /nfs/dbraw/zinc/04/78/44/1091047844.db2.gz XRWDHHJWYOAROL-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC001204851233 1091047850 /nfs/dbraw/zinc/04/78/50/1091047850.db2.gz XRWDHHJWYOAROL-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC001204851233 1091047857 /nfs/dbraw/zinc/04/78/57/1091047857.db2.gz XRWDHHJWYOAROL-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP Cc1ccc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c1F ZINC001205053909 1091091198 /nfs/dbraw/zinc/09/11/98/1091091198.db2.gz UUNZYQNHYHCULL-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC001205101801 1091103239 /nfs/dbraw/zinc/10/32/39/1091103239.db2.gz LVWDNAXATQJFFI-KRWDZBQOSA-N 2 1 320.440 3.339 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001205109087 1091104977 /nfs/dbraw/zinc/10/49/77/1091104977.db2.gz AOJPLETUQYVYHF-HNNXBMFYSA-N 2 1 316.836 3.110 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205110652 1091105252 /nfs/dbraw/zinc/10/52/52/1091105252.db2.gz XQNDWGXGFRPBAT-GFCCVEGCSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205110652 1091105254 /nfs/dbraw/zinc/10/52/54/1091105254.db2.gz XQNDWGXGFRPBAT-GFCCVEGCSA-N 2 1 306.303 3.038 20 0 DGADMP COC(=O)C1(C)CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001168754218 1091107788 /nfs/dbraw/zinc/10/77/88/1091107788.db2.gz IHRLWYKOUKHENU-UHFFFAOYSA-N 2 1 310.482 3.092 20 0 DGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)c2c1 ZINC001205123418 1091108133 /nfs/dbraw/zinc/10/81/33/1091108133.db2.gz AWGJZWGIMYYNEQ-HNNXBMFYSA-N 2 1 314.429 3.170 20 0 DGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205123903 1091108344 /nfs/dbraw/zinc/10/83/44/1091108344.db2.gz GVSATRHLJWFHOH-KRWDZBQOSA-N 2 1 311.429 3.070 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1C[NH3+] ZINC001205136100 1091110188 /nfs/dbraw/zinc/11/01/88/1091110188.db2.gz NUEDWGOVSDJADL-DOTOQJQBSA-N 2 1 320.440 3.052 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC001205136267 1091111137 /nfs/dbraw/zinc/11/11/37/1091111137.db2.gz SZUVXOZPUUABDS-HNAYVOBHSA-N 2 1 310.441 3.389 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@](O)(C[NH3+])CC1)c1cccc2ccccc21 ZINC001205208142 1091132192 /nfs/dbraw/zinc/13/21/92/1091132192.db2.gz BCMYLLUJVYJMEZ-JXFKEZNVSA-N 2 1 312.457 3.119 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001205247395 1091147619 /nfs/dbraw/zinc/14/76/19/1091147619.db2.gz GOQKICFXODAXLO-MRXNPFEDSA-N 2 1 322.499 3.152 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccc(Br)cc2)CC1 ZINC001205257553 1091153246 /nfs/dbraw/zinc/15/32/46/1091153246.db2.gz WVFYIDFJJWYLIB-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2N2CCCCC2)CC1 ZINC001205264059 1091155842 /nfs/dbraw/zinc/15/58/42/1091155842.db2.gz HINCSPRERCGOKI-IBGZPJMESA-N 2 1 301.478 3.380 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205280843 1091162627 /nfs/dbraw/zinc/16/26/27/1091162627.db2.gz JZHMYEQXFARZSE-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205280843 1091162630 /nfs/dbraw/zinc/16/26/30/1091162630.db2.gz JZHMYEQXFARZSE-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001205287953 1091165361 /nfs/dbraw/zinc/16/53/61/1091165361.db2.gz FFWTZMJWRQKAHE-KRWDZBQOSA-N 2 1 318.852 3.229 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC001205303181 1091172937 /nfs/dbraw/zinc/17/29/37/1091172937.db2.gz ASJUPODHVAYWHG-RHSMWYFYSA-N 2 1 313.420 3.304 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205304637 1091174241 /nfs/dbraw/zinc/17/42/41/1091174241.db2.gz OPMUWNORZHYIED-DGCLKSJQSA-N 2 1 316.367 3.131 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205306768 1091176401 /nfs/dbraw/zinc/17/64/01/1091176401.db2.gz ZTPLXZZVOOLZHD-BXUZGUMPSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305138 1091176689 /nfs/dbraw/zinc/17/66/89/1091176689.db2.gz RFHBRMLOXLKUCE-GXTWGEPZSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305138 1091176694 /nfs/dbraw/zinc/17/66/94/1091176694.db2.gz RFHBRMLOXLKUCE-GXTWGEPZSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C[C@@H]1C[NH3+] ZINC001205315801 1091180692 /nfs/dbraw/zinc/18/06/92/1091180692.db2.gz HESKZJDCLNIDQE-DOMZBBRYSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC001205316689 1091181926 /nfs/dbraw/zinc/18/19/26/1091181926.db2.gz KHCXMLGAJSEOJD-WBVHZDCISA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)C[C@@H]1C[NH3+] ZINC001205316841 1091182314 /nfs/dbraw/zinc/18/23/14/1091182314.db2.gz LLFJMOINEHVKEL-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)C[C@@H]1C[NH3+] ZINC001205316841 1091182319 /nfs/dbraw/zinc/18/23/19/1091182319.db2.gz LLFJMOINEHVKEL-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C)cc3)C[C@@H]2C1 ZINC001138450542 1091190208 /nfs/dbraw/zinc/19/02/08/1091190208.db2.gz VKYHEAYSEVXUMM-OALUTQOASA-N 2 1 324.472 3.159 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205545804 1091247320 /nfs/dbraw/zinc/24/73/20/1091247320.db2.gz NGTZYVZBRDEFQJ-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC001205546073 1091247387 /nfs/dbraw/zinc/24/73/87/1091247387.db2.gz QEADLNBEUUQDIG-AWEZNQCLSA-N 2 1 315.230 3.102 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001205545375 1091248236 /nfs/dbraw/zinc/24/82/36/1091248236.db2.gz FVSSEYRNABLOJD-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205545477 1091248763 /nfs/dbraw/zinc/24/87/63/1091248763.db2.gz HXXNTYJGKZEYOQ-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205558361 1091253656 /nfs/dbraw/zinc/25/36/56/1091253656.db2.gz DPIUFDXRZQIWHS-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)[nH]1 ZINC001205558256 1091253797 /nfs/dbraw/zinc/25/37/97/1091253797.db2.gz DAQYPBOFCLMDCR-OAHLLOKOSA-N 2 1 316.852 3.059 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)[nH]1 ZINC001205558256 1091253808 /nfs/dbraw/zinc/25/38/08/1091253808.db2.gz DAQYPBOFCLMDCR-OAHLLOKOSA-N 2 1 316.852 3.059 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570745 1091259088 /nfs/dbraw/zinc/25/90/88/1091259088.db2.gz NXZUSZXRZQZZMT-CQSZACIVSA-N 2 1 319.346 3.062 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001205581395 1091264969 /nfs/dbraw/zinc/26/49/69/1091264969.db2.gz SZIXUMPFXYCEHS-GFCCVEGCSA-N 2 1 321.259 3.164 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205579474 1091265446 /nfs/dbraw/zinc/26/54/46/1091265446.db2.gz NBIZJGWPRJRBCM-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP CCOC(=[NH2+])c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001205580780 1091265551 /nfs/dbraw/zinc/26/55/51/1091265551.db2.gz FUMSSKMVFHHQKW-UHFFFAOYSA-N 2 1 309.413 3.125 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Cl ZINC001205591130 1091270280 /nfs/dbraw/zinc/27/02/80/1091270280.db2.gz FEIJSWKNXYGAGU-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591766 1091270526 /nfs/dbraw/zinc/27/05/26/1091270526.db2.gz PBNRNZBXPTVSAU-KRWDZBQOSA-N 2 1 312.404 3.266 20 0 DGADMP CC[C@H](C)[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615702 1091278828 /nfs/dbraw/zinc/27/88/28/1091278828.db2.gz VRHVEBISTRBWOP-FFGOWVMKSA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@H](C)[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615702 1091278836 /nfs/dbraw/zinc/27/88/36/1091278836.db2.gz VRHVEBISTRBWOP-FFGOWVMKSA-N 2 1 316.489 3.111 20 0 DGADMP CC[C@H](C)[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001205615702 1091278842 /nfs/dbraw/zinc/27/88/42/1091278842.db2.gz VRHVEBISTRBWOP-FFGOWVMKSA-N 2 1 316.489 3.111 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)c1C ZINC001205615792 1091280820 /nfs/dbraw/zinc/28/08/20/1091280820.db2.gz BCIXTGDCAPAQPM-GUYCJALGSA-N 2 1 304.478 3.427 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OCC)c1 ZINC001205617580 1091281311 /nfs/dbraw/zinc/28/13/11/1091281311.db2.gz LCATZKNUZIOZAP-HZPDHXFCSA-N 2 1 320.477 3.291 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205616607 1091281978 /nfs/dbraw/zinc/28/19/78/1091281978.db2.gz GSSJTMPCUOCWAT-NVXWUHKLSA-N 2 1 312.461 3.192 20 0 DGADMP C[C@H]1CC[N@H+](Cc2c(F)cc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205617684 1091282393 /nfs/dbraw/zinc/28/23/93/1091282393.db2.gz MIUDELPLXZDTHC-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)cc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205617684 1091282404 /nfs/dbraw/zinc/28/24/04/1091282404.db2.gz MIUDELPLXZDTHC-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC[C@@H]1C[NH3+] ZINC001205617463 1091282661 /nfs/dbraw/zinc/28/26/61/1091282661.db2.gz KCGDIPQBCLKKQZ-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cscc2Br)CC[C@@H]1C[NH3+] ZINC001205618077 1091283669 /nfs/dbraw/zinc/28/36/69/1091283669.db2.gz RFCKXRGKFKWONX-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC[C@H]1C[NH3+] ZINC001205627375 1091285939 /nfs/dbraw/zinc/28/59/39/1091285939.db2.gz OTSYHPXCFBHWCP-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205628225 1091286725 /nfs/dbraw/zinc/28/67/25/1091286725.db2.gz UBSPHLWWECCXHT-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC[C@@H]1C[NH3+] ZINC001205627841 1091286760 /nfs/dbraw/zinc/28/67/60/1091286760.db2.gz SIBGWLCLRNFXTM-DZGCQCFKSA-N 2 1 301.409 3.181 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1F ZINC001205629143 1091288143 /nfs/dbraw/zinc/28/81/43/1091288143.db2.gz XTBKPUNRIJICLQ-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1F ZINC001205629141 1091288716 /nfs/dbraw/zinc/28/87/16/1091288716.db2.gz XTBKPUNRIJICLQ-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP CCOc1cc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1 ZINC001205628312 1091288911 /nfs/dbraw/zinc/28/89/11/1091288911.db2.gz UXJJCIZVDUEWIF-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1SC ZINC001205653906 1091299073 /nfs/dbraw/zinc/29/90/73/1091299073.db2.gz VTMFNYZOHLQSEE-UKRRQHHQSA-N 2 1 308.491 3.224 20 0 DGADMP Fc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(Cl)c1F ZINC001205682388 1091310387 /nfs/dbraw/zinc/31/03/87/1091310387.db2.gz UHLAPRQOIKLEHU-UHFFFAOYSA-N 2 1 309.747 3.090 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001205683125 1091312221 /nfs/dbraw/zinc/31/22/21/1091312221.db2.gz XYDJRWQIMCIVFO-HXUWFJFHSA-N 2 1 324.424 3.262 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCCc2ccccc2Cl)CCC1(F)F ZINC001205734961 1091326620 /nfs/dbraw/zinc/32/66/20/1091326620.db2.gz IDSNBWKRMGIOES-ZDUSSCGKSA-N 2 1 302.796 3.189 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccccc2Cl)CCC1(F)F ZINC001205734961 1091326627 /nfs/dbraw/zinc/32/66/27/1091326627.db2.gz IDSNBWKRMGIOES-ZDUSSCGKSA-N 2 1 302.796 3.189 20 0 DGADMP COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205764790 1091336902 /nfs/dbraw/zinc/33/69/02/1091336902.db2.gz YVAVNWFKFHURHO-CQSZACIVSA-N 2 1 320.383 3.264 20 0 DGADMP COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205764790 1091336910 /nfs/dbraw/zinc/33/69/10/1091336910.db2.gz YVAVNWFKFHURHO-CQSZACIVSA-N 2 1 320.383 3.264 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CCC1(F)F ZINC001205762183 1091337689 /nfs/dbraw/zinc/33/76/89/1091337689.db2.gz KKSYEEWQAIGDEM-QGZVFWFLSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CCC1(F)F ZINC001205762183 1091337702 /nfs/dbraw/zinc/33/77/02/1091337702.db2.gz KKSYEEWQAIGDEM-QGZVFWFLSA-N 2 1 317.383 3.165 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205768168 1091340497 /nfs/dbraw/zinc/34/04/97/1091340497.db2.gz DEJQYHIOTWEKBO-CQSZACIVSA-N 2 1 307.388 3.077 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2)CCC1(F)F ZINC001205771763 1091341911 /nfs/dbraw/zinc/34/19/11/1091341911.db2.gz VPVZVMQRCQCHQB-QGZVFWFLSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2)CCC1(F)F ZINC001205771763 1091341923 /nfs/dbraw/zinc/34/19/23/1091341923.db2.gz VPVZVMQRCQCHQB-QGZVFWFLSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CCC1(F)F ZINC001205779531 1091342732 /nfs/dbraw/zinc/34/27/32/1091342732.db2.gz LPQNISZSRYJSNA-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CCC1(F)F ZINC001205779531 1091342738 /nfs/dbraw/zinc/34/27/38/1091342738.db2.gz LPQNISZSRYJSNA-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CCC1(F)F ZINC001205779530 1091344184 /nfs/dbraw/zinc/34/41/84/1091344184.db2.gz LPQNISZSRYJSNA-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CCC1(F)F ZINC001205779530 1091344192 /nfs/dbraw/zinc/34/41/92/1091344192.db2.gz LPQNISZSRYJSNA-INIZCTEOSA-N 2 1 317.383 3.165 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001205802257 1091356042 /nfs/dbraw/zinc/35/60/42/1091356042.db2.gz AYNXBUFXONFEDQ-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941583 1091386299 /nfs/dbraw/zinc/38/62/99/1091386299.db2.gz KUPHMVIIQUYSHM-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941583 1091386306 /nfs/dbraw/zinc/38/63/06/1091386306.db2.gz KUPHMVIIQUYSHM-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941583 1091386314 /nfs/dbraw/zinc/38/63/14/1091386314.db2.gz KUPHMVIIQUYSHM-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001138941583 1091386323 /nfs/dbraw/zinc/38/63/23/1091386323.db2.gz KUPHMVIIQUYSHM-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205913161 1091407646 /nfs/dbraw/zinc/40/76/46/1091407646.db2.gz HGQIWAPTWMKPQS-DZGCQCFKSA-N 2 1 301.409 3.380 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205994439 1091440934 /nfs/dbraw/zinc/44/09/34/1091440934.db2.gz LRANGQBPOUQOOC-GOEBONIOSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205995164 1091441028 /nfs/dbraw/zinc/44/10/28/1091441028.db2.gz NGNTXBWVGYLZAK-GXTWGEPZSA-N 2 1 316.367 3.392 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205994440 1091441151 /nfs/dbraw/zinc/44/11/51/1091441151.db2.gz LRANGQBPOUQOOC-HOCLYGCPSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003176 1091444434 /nfs/dbraw/zinc/44/44/34/1091444434.db2.gz FRHZIFHPYMOUTR-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3cccnc3cc2F)CCC[C@@H]1C[NH3+] ZINC001206003568 1091445972 /nfs/dbraw/zinc/44/59/72/1091445972.db2.gz JUKTVQALJDFIDJ-UKRRQHHQSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1C[N@@H+](Cc2sccc2Br)CCC[C@@H]1C[NH3+] ZINC001206005838 1091446306 /nfs/dbraw/zinc/44/63/06/1091446306.db2.gz YZYNHEKEDOZGBL-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206012070 1091450085 /nfs/dbraw/zinc/45/00/85/1091450085.db2.gz IRNVFHDGVDNOPE-HOTGVXAUSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CCC[C@@H]1C[NH3+] ZINC001206012330 1091450411 /nfs/dbraw/zinc/45/04/11/1091450411.db2.gz KPZQBCAUNPQLQP-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP Cc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)o1 ZINC001276486248 1091452011 /nfs/dbraw/zinc/45/20/11/1091452011.db2.gz YCHUSAUPWCGRHY-MSOLQXFVSA-N 2 1 314.433 3.036 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CCC[C@H]1C[NH3+] ZINC001206022202 1091455692 /nfs/dbraw/zinc/45/56/92/1091455692.db2.gz BLTKFOBBTLRPSO-KGLIPLIRSA-N 2 1 301.409 3.181 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206036526 1091462931 /nfs/dbraw/zinc/46/29/31/1091462931.db2.gz KRBPDGNTRMJPJK-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206036290 1091464120 /nfs/dbraw/zinc/46/41/20/1091464120.db2.gz HRNRDJUTDQXWQN-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)CC1 ZINC001206056866 1091472636 /nfs/dbraw/zinc/47/26/36/1091472636.db2.gz VPTRWAXRAPPVKM-INIZCTEOSA-N 2 1 319.468 3.068 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@@H]1F ZINC001206173616 1091519499 /nfs/dbraw/zinc/51/94/99/1091519499.db2.gz ISEGJHMSONVXQC-LSDHHAIUSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@@H]1F ZINC001206173616 1091519507 /nfs/dbraw/zinc/51/95/07/1091519507.db2.gz ISEGJHMSONVXQC-LSDHHAIUSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@H]1F ZINC001206173615 1091519710 /nfs/dbraw/zinc/51/97/10/1091519710.db2.gz ISEGJHMSONVXQC-HUUCEWRRSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@H]1F ZINC001206173615 1091519717 /nfs/dbraw/zinc/51/97/17/1091519717.db2.gz ISEGJHMSONVXQC-HUUCEWRRSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC[C@H]1F ZINC001206200569 1091533157 /nfs/dbraw/zinc/53/31/57/1091533157.db2.gz RZDZZXIYKTWHKV-QZTJIDSGSA-N 2 1 317.383 3.149 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001206258126 1091553738 /nfs/dbraw/zinc/55/37/38/1091553738.db2.gz RYRXSOQHYSQJBS-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206286414 1091564264 /nfs/dbraw/zinc/56/42/64/1091564264.db2.gz UNGFAQMOIUUBQS-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206286414 1091564266 /nfs/dbraw/zinc/56/42/66/1091564266.db2.gz UNGFAQMOIUUBQS-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC001206297418 1091566125 /nfs/dbraw/zinc/56/61/25/1091566125.db2.gz YCKCNDIKOLTCKQ-OAHLLOKOSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(F)c(F)cc(F)c2F)CC1 ZINC001206303744 1091568625 /nfs/dbraw/zinc/56/86/25/1091568625.db2.gz GIZBWKCAELFUQK-OAHLLOKOSA-N 2 1 304.331 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)c(F)cc(F)c2F)CC1 ZINC001206303744 1091568627 /nfs/dbraw/zinc/56/86/27/1091568627.db2.gz GIZBWKCAELFUQK-OAHLLOKOSA-N 2 1 304.331 3.194 20 0 DGADMP COc1ccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206304202 1091568757 /nfs/dbraw/zinc/56/87/57/1091568757.db2.gz HETJRABXHLTPMM-GOSISDBHSA-N 2 1 301.434 3.127 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1OCC ZINC001206303723 1091570005 /nfs/dbraw/zinc/57/00/05/1091570005.db2.gz GGJXVERTVHKJPK-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206310754 1091573903 /nfs/dbraw/zinc/57/39/03/1091573903.db2.gz BQDQBVNEWBKYMQ-IBGZPJMESA-N 2 1 312.461 3.132 20 0 DGADMP COCCCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206317616 1091574719 /nfs/dbraw/zinc/57/47/19/1091574719.db2.gz IDAIHNVZGDJLBO-IBGZPJMESA-N 2 1 320.477 3.053 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001206319192 1091576785 /nfs/dbraw/zinc/57/67/85/1091576785.db2.gz ZMMCRRVERRPNSY-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001206318201 1091577787 /nfs/dbraw/zinc/57/77/87/1091577787.db2.gz NNZLJJSEUGLHIS-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2C(F)(F)F)CC1 ZINC001206325271 1091579286 /nfs/dbraw/zinc/57/92/86/1091579286.db2.gz GWZHSTAZTXRBJA-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)CC1 ZINC001206327079 1091582098 /nfs/dbraw/zinc/58/20/98/1091582098.db2.gz SEUXIGADQUJEDX-SFHVURJKSA-N 2 1 306.425 3.102 20 0 DGADMP CCc1cccc2c(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344294 1091588034 /nfs/dbraw/zinc/58/80/34/1091588034.db2.gz QOWXUHFNMIYOMK-SFHVURJKSA-N 2 1 303.425 3.383 20 0 DGADMP CCc1cccc2c(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344294 1091588038 /nfs/dbraw/zinc/58/80/38/1091588038.db2.gz QOWXUHFNMIYOMK-SFHVURJKSA-N 2 1 303.425 3.383 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001206352582 1091593687 /nfs/dbraw/zinc/59/36/87/1091593687.db2.gz YMVVRORORQWRHE-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001206352582 1091593694 /nfs/dbraw/zinc/59/36/94/1091593694.db2.gz YMVVRORORQWRHE-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP C[NH+](C)CCn1cc(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)cn1 ZINC001206367328 1091601563 /nfs/dbraw/zinc/60/15/63/1091601563.db2.gz CNISLMFSPZRJPD-UHFFFAOYSA-N 2 1 305.385 3.141 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001206371369 1091603486 /nfs/dbraw/zinc/60/34/86/1091603486.db2.gz UFXBSRVOUWRMET-LJQANCHMSA-N 2 1 320.452 3.234 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001206371369 1091603490 /nfs/dbraw/zinc/60/34/90/1091603490.db2.gz UFXBSRVOUWRMET-LJQANCHMSA-N 2 1 320.452 3.234 20 0 DGADMP CCOc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1Cl ZINC001139595752 1091612962 /nfs/dbraw/zinc/61/29/62/1091612962.db2.gz NXEAPMXOPQZWCV-CABCVRRESA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001139595752 1091612968 /nfs/dbraw/zinc/61/29/68/1091612968.db2.gz NXEAPMXOPQZWCV-CABCVRRESA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001139595752 1091612972 /nfs/dbraw/zinc/61/29/72/1091612972.db2.gz NXEAPMXOPQZWCV-CABCVRRESA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Cl ZINC001139595752 1091612980 /nfs/dbraw/zinc/61/29/80/1091612980.db2.gz NXEAPMXOPQZWCV-CABCVRRESA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Cl ZINC001139595752 1091612985 /nfs/dbraw/zinc/61/29/85/1091612985.db2.gz NXEAPMXOPQZWCV-CABCVRRESA-N 2 1 308.853 3.122 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCC)c(CC)c3)C[C@@H]2C1 ZINC001139625195 1091626827 /nfs/dbraw/zinc/62/68/27/1091626827.db2.gz BKRYKZADDVZTRX-OALUTQOASA-N 2 1 316.489 3.421 20 0 DGADMP c1cncc(-c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)c1 ZINC001139645425 1091632432 /nfs/dbraw/zinc/63/24/32/1091632432.db2.gz IOFNBOXTYUFWKQ-UHFFFAOYSA-N 2 1 307.441 3.419 20 0 DGADMP C[NH+](C)CC(C)(C)CNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001168766128 1091649205 /nfs/dbraw/zinc/64/92/05/1091649205.db2.gz BUEMYNGVHWEFBB-MRXNPFEDSA-N 2 1 304.482 3.238 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1OC ZINC001206542099 1091662273 /nfs/dbraw/zinc/66/22/73/1091662273.db2.gz RKEWWZWYIULOIS-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001206547609 1091663469 /nfs/dbraw/zinc/66/34/69/1091663469.db2.gz DKYRVOXAWKAHAT-IBGZPJMESA-N 2 1 301.478 3.238 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1OC(C)C ZINC001206547021 1091663802 /nfs/dbraw/zinc/66/38/02/1091663802.db2.gz AQEWFWHZNMDQGN-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC001206550301 1091665454 /nfs/dbraw/zinc/66/54/54/1091665454.db2.gz ZTLBXGWPOCEMAS-KRWDZBQOSA-N 2 1 312.404 3.281 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)C1 ZINC001206555392 1091667507 /nfs/dbraw/zinc/66/75/07/1091667507.db2.gz KPBDIVSQDCPEHU-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206563331 1091670003 /nfs/dbraw/zinc/67/00/03/1091670003.db2.gz CJJBILHWTUADIS-QGZVFWFLSA-N 2 1 324.852 3.078 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206563331 1091670009 /nfs/dbraw/zinc/67/00/09/1091670009.db2.gz CJJBILHWTUADIS-QGZVFWFLSA-N 2 1 324.852 3.078 20 0 DGADMP COc1ccccc1CCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206579882 1091676205 /nfs/dbraw/zinc/67/62/05/1091676205.db2.gz ALRCKXRISPYZLV-SFHVURJKSA-N 2 1 304.478 3.480 20 0 DGADMP CC(C)[N@H+](Cc1cc2c(cc1Cl)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206590003 1091680739 /nfs/dbraw/zinc/68/07/39/1091680739.db2.gz KFDYRKOFWILWIQ-CQSZACIVSA-N 2 1 324.852 3.421 20 0 DGADMP CC(C)[N@@H+](Cc1cc2c(cc1Cl)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206590003 1091680746 /nfs/dbraw/zinc/68/07/46/1091680746.db2.gz KFDYRKOFWILWIQ-CQSZACIVSA-N 2 1 324.852 3.421 20 0 DGADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(OC)cc1C ZINC001206598439 1091684151 /nfs/dbraw/zinc/68/41/51/1091684151.db2.gz JOAARWNDVQCNMT-KRWDZBQOSA-N 2 1 320.477 3.365 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)cc(N(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC001206606545 1091687103 /nfs/dbraw/zinc/68/71/03/1091687103.db2.gz OTSPJHYMEMCBTL-KRWDZBQOSA-N 2 1 307.457 3.244 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615898 1091689911 /nfs/dbraw/zinc/68/99/11/1091689911.db2.gz KCOHTVGUJQCTLG-QGZVFWFLSA-N 2 1 312.461 3.050 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC001206616891 1091691909 /nfs/dbraw/zinc/69/19/09/1091691909.db2.gz SYMLLSQGBOORFS-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206622479 1091693521 /nfs/dbraw/zinc/69/35/21/1091693521.db2.gz CNCYBCPQFHDRBV-LBPRGKRZSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206622479 1091693525 /nfs/dbraw/zinc/69/35/25/1091693525.db2.gz CNCYBCPQFHDRBV-LBPRGKRZSA-N 2 1 320.330 3.285 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[NH+]1CCCCC1 ZINC001206710192 1091708799 /nfs/dbraw/zinc/70/87/99/1091708799.db2.gz WWZJJHCWRUUVIM-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(cnn3C)c2)CC1 ZINC001139951912 1091722344 /nfs/dbraw/zinc/72/23/44/1091722344.db2.gz SIGWPZFWLBYIPV-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001206760918 1091728146 /nfs/dbraw/zinc/72/81/46/1091728146.db2.gz OAKZGRHHJVZEEY-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001206760917 1091728535 /nfs/dbraw/zinc/72/85/35/1091728535.db2.gz OAKZGRHHJVZEEY-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001206761080 1091729035 /nfs/dbraw/zinc/72/90/35/1091729035.db2.gz SSJAPYFSLLDAFI-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001206767902 1091731314 /nfs/dbraw/zinc/73/13/14/1091731314.db2.gz FZGDLLBYHHSYLV-GOEBONIOSA-N 2 1 302.462 3.349 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770912 1091733917 /nfs/dbraw/zinc/73/39/17/1091733917.db2.gz UIVQCEAOTBGFNJ-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770912 1091733923 /nfs/dbraw/zinc/73/39/23/1091733923.db2.gz UIVQCEAOTBGFNJ-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH+](C(C)(C)C)CC1 ZINC001140028137 1091743503 /nfs/dbraw/zinc/74/35/03/1091743503.db2.gz MFHZDCNJMWCVGM-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CC[N@H+](C)C1CCN(Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140027275 1091744518 /nfs/dbraw/zinc/74/45/18/1091744518.db2.gz GFRZCRHVCAIQRN-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CC[N@@H+](C)C1CCN(Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140027275 1091744524 /nfs/dbraw/zinc/74/45/24/1091744524.db2.gz GFRZCRHVCAIQRN-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OC(C)C)c1 ZINC001206810136 1091748860 /nfs/dbraw/zinc/74/88/60/1091748860.db2.gz NDHOKHHZNSHMOY-HUUCEWRRSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OC(C)C)c1 ZINC001206810136 1091748865 /nfs/dbraw/zinc/74/88/65/1091748865.db2.gz NDHOKHHZNSHMOY-HUUCEWRRSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc2sc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206808143 1091749631 /nfs/dbraw/zinc/74/96/31/1091749631.db2.gz JVNXPEGWKSNEMY-OLZOCXBDSA-N 2 1 304.459 3.469 20 0 DGADMP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)ccc1C ZINC001140162555 1091788256 /nfs/dbraw/zinc/78/82/56/1091788256.db2.gz ZDIIWLMGHFALHJ-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001203011521 1091799685 /nfs/dbraw/zinc/79/96/85/1091799685.db2.gz NCOUGWSNPSOABL-GWQNQTGSSA-N 2 1 318.505 3.307 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+](C)CCC[NH+]3CCCC3)c2c1 ZINC001140271109 1091810916 /nfs/dbraw/zinc/81/09/16/1091810916.db2.gz WZBFELDEMRILNV-UHFFFAOYSA-N 2 1 315.461 3.484 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)CCC[NH+]3CCCC3)c2c1 ZINC001140271109 1091810922 /nfs/dbraw/zinc/81/09/22/1091810922.db2.gz WZBFELDEMRILNV-UHFFFAOYSA-N 2 1 315.461 3.484 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ccncc3O)CC2)CC1 ZINC001140280108 1091815331 /nfs/dbraw/zinc/81/53/31/1091815331.db2.gz AWAVFJBFXZCURN-UHFFFAOYSA-N 2 1 317.477 3.121 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCOCc2ccccc2)CC1 ZINC001207235966 1091896198 /nfs/dbraw/zinc/89/61/98/1091896198.db2.gz TYFDNVHFQYMWQP-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP CN(CC(C)(C)C[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001207285136 1091909786 /nfs/dbraw/zinc/90/97/86/1091909786.db2.gz YMSNEVCDLOBURZ-LJQANCHMSA-N 2 1 317.521 3.171 20 0 DGADMP C[NH+](C)CC(C)(C)CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001207285366 1091910276 /nfs/dbraw/zinc/91/02/76/1091910276.db2.gz IFGKULPTLYYODU-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001207286786 1091912002 /nfs/dbraw/zinc/91/20/02/1091912002.db2.gz MKYFCNLNNBNLLG-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@@H+]3Cc4cccnc4C3)CC2)cc1 ZINC001207286795 1091912024 /nfs/dbraw/zinc/91/20/24/1091912024.db2.gz MPBSVDLMZMKUED-UHFFFAOYSA-N 2 1 307.441 3.309 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3Cc4cccnc4C3)CC2)cc1 ZINC001207286795 1091912033 /nfs/dbraw/zinc/91/20/33/1091912033.db2.gz MPBSVDLMZMKUED-UHFFFAOYSA-N 2 1 307.441 3.309 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292758 1091913937 /nfs/dbraw/zinc/91/39/37/1091913937.db2.gz ZAZAWVQVNDXDMM-FHWLQOOXSA-N 2 1 302.437 3.331 20 0 DGADMP CC/C=C\CC[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001276526431 1091935613 /nfs/dbraw/zinc/93/56/13/1091935613.db2.gz RAIIMOOUUGBMOU-LLHWWHOWSA-N 2 1 316.493 3.027 20 0 DGADMP CC/C=C\CC[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001276526431 1091935617 /nfs/dbraw/zinc/93/56/17/1091935617.db2.gz RAIIMOOUUGBMOU-LLHWWHOWSA-N 2 1 316.493 3.027 20 0 DGADMP CC[C@@](C)(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001207458820 1091974320 /nfs/dbraw/zinc/97/43/20/1091974320.db2.gz BOGUOJAUDZHXHJ-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@@](C)(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001207458820 1091974327 /nfs/dbraw/zinc/97/43/27/1091974327.db2.gz BOGUOJAUDZHXHJ-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@@](C)(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001207458820 1091974335 /nfs/dbraw/zinc/97/43/35/1091974335.db2.gz BOGUOJAUDZHXHJ-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCOC1 ZINC001207471382 1091979266 /nfs/dbraw/zinc/97/92/66/1091979266.db2.gz ICGWWKRAHOSDSZ-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC001207486797 1091984995 /nfs/dbraw/zinc/98/49/95/1091984995.db2.gz NLWSUGIKOJANGV-LJQANCHMSA-N 2 1 320.452 3.105 20 0 DGADMP Fc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001207515799 1092001592 /nfs/dbraw/zinc/00/15/92/1092001592.db2.gz ZTSQQEPDCSVDQA-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Fc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001207515799 1092001603 /nfs/dbraw/zinc/00/16/03/1092001603.db2.gz ZTSQQEPDCSVDQA-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Fc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001207515799 1092001613 /nfs/dbraw/zinc/00/16/13/1092001613.db2.gz ZTSQQEPDCSVDQA-BGYRXZFFSA-N 2 1 324.443 3.432 20 0 DGADMP Cc1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140799586 1092006957 /nfs/dbraw/zinc/00/69/57/1092006957.db2.gz GSTNDGMZAOUZOQ-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP c1[nH]c2ccncc2c1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001140801504 1092007215 /nfs/dbraw/zinc/00/72/15/1092007215.db2.gz QCGMWBDOPGWBCL-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]c2ccncc2c1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001140801504 1092007230 /nfs/dbraw/zinc/00/72/30/1092007230.db2.gz QCGMWBDOPGWBCL-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001140801504 1092007242 /nfs/dbraw/zinc/00/72/42/1092007242.db2.gz QCGMWBDOPGWBCL-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001140801504 1092007250 /nfs/dbraw/zinc/00/72/50/1092007250.db2.gz QCGMWBDOPGWBCL-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001140806157 1092011614 /nfs/dbraw/zinc/01/16/14/1092011614.db2.gz BTMYERDHRCRDGU-IRXDYDNUSA-N 2 1 318.424 3.131 20 0 DGADMP C[NH+]1CCC(CN2CC[NH+](CCCC3CCCCC3)CC2)CC1 ZINC001207608470 1092039297 /nfs/dbraw/zinc/03/92/97/1092039297.db2.gz PKPQDARXDKYCII-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620023 1092044412 /nfs/dbraw/zinc/04/44/12/1092044412.db2.gz GOSHBWSYENGMKX-PNKHAZJDSA-N 2 1 314.498 3.324 20 0 DGADMP CC[N@@H+](Cc1ccccc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140967781 1092088790 /nfs/dbraw/zinc/08/87/90/1092088790.db2.gz BWTMTNRFOGTPQJ-UHFFFAOYSA-N 2 1 323.484 3.461 20 0 DGADMP C[N@@H+](Cc1cccs1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973163 1092089290 /nfs/dbraw/zinc/08/92/90/1092089290.db2.gz FEPOLCZRVNFTAA-UHFFFAOYSA-N 2 1 315.486 3.132 20 0 DGADMP C[N@@H+](Cc1ccsc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971285 1092089777 /nfs/dbraw/zinc/08/97/77/1092089777.db2.gz OKHHHLWWRRSXCN-UHFFFAOYSA-N 2 1 315.486 3.132 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)c(O)c(F)c3)CC2)CC1 ZINC001140991217 1092097572 /nfs/dbraw/zinc/09/75/72/1092097572.db2.gz IGRKWMRCBJOMLS-UHFFFAOYSA-N 2 1 324.415 3.224 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007090 1092104787 /nfs/dbraw/zinc/10/47/87/1092104787.db2.gz WZWWVCRWUCUKNN-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007090 1092104790 /nfs/dbraw/zinc/10/47/90/1092104790.db2.gz WZWWVCRWUCUKNN-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007090 1092104793 /nfs/dbraw/zinc/10/47/93/1092104793.db2.gz WZWWVCRWUCUKNN-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007090 1092104797 /nfs/dbraw/zinc/10/47/97/1092104797.db2.gz WZWWVCRWUCUKNN-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cocn2)CC3)c1 ZINC001141128008 1092145439 /nfs/dbraw/zinc/14/54/39/1092145439.db2.gz MGDPASJSURQEOZ-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cocn2)CC3)c1 ZINC001141128008 1092145447 /nfs/dbraw/zinc/14/54/47/1092145447.db2.gz MGDPASJSURQEOZ-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC001207962286 1092159733 /nfs/dbraw/zinc/15/97/33/1092159733.db2.gz LLGNNQLJEVLXAW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC001207962286 1092159741 /nfs/dbraw/zinc/15/97/41/1092159741.db2.gz LLGNNQLJEVLXAW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](Cc1ccccc1F)C1CCN(C[C@H]2CCCCO2)CC1 ZINC001207962299 1092160695 /nfs/dbraw/zinc/16/06/95/1092160695.db2.gz MBGIRZVUOCUUKG-GOSISDBHSA-N 2 1 320.452 3.291 20 0 DGADMP C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000088688662 1092197036 /nfs/dbraw/zinc/19/70/36/1092197036.db2.gz ZYWCKGLVCPKESK-GPMSIDNRSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000088688662 1092197040 /nfs/dbraw/zinc/19/70/40/1092197040.db2.gz ZYWCKGLVCPKESK-GPMSIDNRSA-N 2 1 302.462 3.186 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001208114770 1092201634 /nfs/dbraw/zinc/20/16/34/1092201634.db2.gz BBFGCTIBNYGTAY-QGZVFWFLSA-N 2 1 306.425 3.011 20 0 DGADMP CC/C=C\CCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001208136545 1092209557 /nfs/dbraw/zinc/20/95/57/1092209557.db2.gz XWWVJENNDFSOJZ-SREVYHEPSA-N 2 1 304.482 3.285 20 0 DGADMP CC/C=C\CCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001208136545 1092209571 /nfs/dbraw/zinc/20/95/71/1092209571.db2.gz XWWVJENNDFSOJZ-SREVYHEPSA-N 2 1 304.482 3.285 20 0 DGADMP CC/C=C\CCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001208136545 1092209585 /nfs/dbraw/zinc/20/95/85/1092209585.db2.gz XWWVJENNDFSOJZ-SREVYHEPSA-N 2 1 304.482 3.285 20 0 DGADMP CC/C=C\CCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001208136545 1092209596 /nfs/dbraw/zinc/20/95/96/1092209596.db2.gz XWWVJENNDFSOJZ-SREVYHEPSA-N 2 1 304.482 3.285 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@H]1C ZINC001208187863 1092249270 /nfs/dbraw/zinc/24/92/70/1092249270.db2.gz BOBBJRWIEHDSHY-IAGOWNOFSA-N 2 1 324.509 3.020 20 0 DGADMP COc1cccc2c1CC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208188310 1092250760 /nfs/dbraw/zinc/25/07/60/1092250760.db2.gz WYFJZJJSACGMJL-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP COc1cccc2c1CC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208188310 1092250773 /nfs/dbraw/zinc/25/07/73/1092250773.db2.gz WYFJZJJSACGMJL-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H](c3ccccn3)C2)CCCC1 ZINC001208193069 1092256130 /nfs/dbraw/zinc/25/61/30/1092256130.db2.gz ZPPSAYRNCJYOSP-KRWDZBQOSA-N 2 1 301.478 3.383 20 0 DGADMP CCN1CCC([N@@H+](C)CC2(c3ccccc3)CCOCC2)CC1 ZINC001208227586 1092284134 /nfs/dbraw/zinc/28/41/34/1092284134.db2.gz NIURCBIRVXEZAY-UHFFFAOYSA-N 2 1 316.489 3.151 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CC2(c3ccccc3)CCOCC2)CC1 ZINC001208227586 1092284145 /nfs/dbraw/zinc/28/41/45/1092284145.db2.gz NIURCBIRVXEZAY-UHFFFAOYSA-N 2 1 316.489 3.151 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CC2(c3ccccc3)CCOCC2)CC1 ZINC001208227586 1092284156 /nfs/dbraw/zinc/28/41/56/1092284156.db2.gz NIURCBIRVXEZAY-UHFFFAOYSA-N 2 1 316.489 3.151 20 0 DGADMP C[N@H+](Cc1cc2cccnc2cc1F)CC1CC[NH+](C)CC1 ZINC001141628765 1092300427 /nfs/dbraw/zinc/30/04/27/1092300427.db2.gz IPMXARJQCNVVHM-UHFFFAOYSA-N 2 1 301.409 3.148 20 0 DGADMP CC(C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208582975 1092409157 /nfs/dbraw/zinc/40/91/57/1092409157.db2.gz SDZALJPGRQBXKA-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](C)C[C@@H]1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208589591 1092414281 /nfs/dbraw/zinc/41/42/81/1092414281.db2.gz WOXZLNZXKJHFBA-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC001208594328 1092417154 /nfs/dbraw/zinc/41/71/54/1092417154.db2.gz NBLJPQFLRLZDNA-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC001208594328 1092417157 /nfs/dbraw/zinc/41/71/57/1092417157.db2.gz NBLJPQFLRLZDNA-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001208597966 1092419525 /nfs/dbraw/zinc/41/95/25/1092419525.db2.gz ODSOTNQSABCKHY-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC001208609062 1092423401 /nfs/dbraw/zinc/42/34/01/1092423401.db2.gz UHAAVROAMYXINO-KRWDZBQOSA-N 2 1 320.452 3.149 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001208616455 1092430958 /nfs/dbraw/zinc/43/09/58/1092430958.db2.gz LFNBLADYSNVLIO-GOSISDBHSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001208616455 1092430962 /nfs/dbraw/zinc/43/09/62/1092430962.db2.gz LFNBLADYSNVLIO-GOSISDBHSA-N 2 1 314.473 3.009 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208666901 1092446957 /nfs/dbraw/zinc/44/69/57/1092446957.db2.gz RVERJSYMKQKMTA-PKOBYXMFSA-N 2 1 316.489 3.007 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208666901 1092446966 /nfs/dbraw/zinc/44/69/66/1092446966.db2.gz RVERJSYMKQKMTA-PKOBYXMFSA-N 2 1 316.489 3.007 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208666901 1092446970 /nfs/dbraw/zinc/44/69/70/1092446970.db2.gz RVERJSYMKQKMTA-PKOBYXMFSA-N 2 1 316.489 3.007 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208666901 1092446972 /nfs/dbraw/zinc/44/69/72/1092446972.db2.gz RVERJSYMKQKMTA-PKOBYXMFSA-N 2 1 316.489 3.007 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001208691615 1092458871 /nfs/dbraw/zinc/45/88/71/1092458871.db2.gz GZGGBDUTPRPULM-UHFFFAOYSA-N 2 1 323.362 3.393 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001208691615 1092458876 /nfs/dbraw/zinc/45/88/76/1092458876.db2.gz GZGGBDUTPRPULM-UHFFFAOYSA-N 2 1 323.362 3.393 20 0 DGADMP CC(C)CCC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001208732708 1092479458 /nfs/dbraw/zinc/47/94/58/1092479458.db2.gz KKXDVUSGUTWFND-RTBURBONSA-N 2 1 308.510 3.103 20 0 DGADMP CC(C)CCC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001208732708 1092479466 /nfs/dbraw/zinc/47/94/66/1092479466.db2.gz KKXDVUSGUTWFND-RTBURBONSA-N 2 1 308.510 3.103 20 0 DGADMP CC(C)CCC[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001208732708 1092479473 /nfs/dbraw/zinc/47/94/73/1092479473.db2.gz KKXDVUSGUTWFND-RTBURBONSA-N 2 1 308.510 3.103 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3nn(C)cc32)CC1 ZINC001142456345 1092483622 /nfs/dbraw/zinc/48/36/22/1092483622.db2.gz LICOWZMCVDHFPZ-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP CN1CCC[C@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814994 1092522590 /nfs/dbraw/zinc/52/25/90/1092522590.db2.gz MZLQOWYDCHWGQA-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCCC[NH+](CCCC)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099776 1092529424 /nfs/dbraw/zinc/52/94/24/1092529424.db2.gz VNNQPIAFNFDUBK-LDLYASANSA-N 2 1 309.542 3.494 20 0 DGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099776 1092529440 /nfs/dbraw/zinc/52/94/40/1092529440.db2.gz VNNQPIAFNFDUBK-LDLYASANSA-N 3 1 309.542 3.494 20 0 DGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099776 1092529449 /nfs/dbraw/zinc/52/94/49/1092529449.db2.gz VNNQPIAFNFDUBK-LDLYASANSA-N 3 1 309.542 3.494 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1cccc3ccccc31)C2 ZINC001169100260 1092529786 /nfs/dbraw/zinc/52/97/86/1092529786.db2.gz HNXOUDGZKSNPCY-UGNRZPKXSA-N 2 1 324.468 3.478 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC001169102297 1092532018 /nfs/dbraw/zinc/53/20/18/1092532018.db2.gz ZBCXYXCGHBLHDV-VXIBKDFQSA-N 2 1 300.446 3.361 20 0 DGADMP COc1ccc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC001169102296 1092533924 /nfs/dbraw/zinc/53/39/24/1092533924.db2.gz ZBCXYXCGHBLHDV-SFNKJDCFSA-N 2 1 300.446 3.361 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125873 1092546247 /nfs/dbraw/zinc/54/62/47/1092546247.db2.gz MVGMJQLVDWOFBX-NXOAAHMSSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125873 1092546252 /nfs/dbraw/zinc/54/62/52/1092546252.db2.gz MVGMJQLVDWOFBX-NXOAAHMSSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125873 1092546263 /nfs/dbraw/zinc/54/62/63/1092546263.db2.gz MVGMJQLVDWOFBX-NXOAAHMSSA-N 2 1 300.446 3.110 20 0 DGADMP CCCNc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169138712 1092551347 /nfs/dbraw/zinc/55/13/47/1092551347.db2.gz UBUKVRUKVFXCJO-CXAGYDPISA-N 2 1 305.470 3.254 20 0 DGADMP COc1cccc(CC(C)(C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169115333 1092556239 /nfs/dbraw/zinc/55/62/39/1092556239.db2.gz IUOAATLMPRRKHK-NNZMDNLPSA-N 2 1 316.489 3.479 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001169142615 1092559684 /nfs/dbraw/zinc/55/96/84/1092559684.db2.gz DLOHZIUIUZMIMQ-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001169142615 1092559692 /nfs/dbraw/zinc/55/96/92/1092559692.db2.gz DLOHZIUIUZMIMQ-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001169142615 1092559701 /nfs/dbraw/zinc/55/97/01/1092559701.db2.gz DLOHZIUIUZMIMQ-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001169147497 1092562649 /nfs/dbraw/zinc/56/26/49/1092562649.db2.gz UMQMOJCHRGVYPL-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001169147497 1092562656 /nfs/dbraw/zinc/56/26/56/1092562656.db2.gz UMQMOJCHRGVYPL-BWTSREIZSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169148086 1092563807 /nfs/dbraw/zinc/56/38/07/1092563807.db2.gz YHXVMCOHSLMEHF-BCDXTJNWSA-N 2 1 314.473 3.463 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208882962 1092564167 /nfs/dbraw/zinc/56/41/67/1092564167.db2.gz QASUOGNSQQPXDW-AQNXPRMDSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208882962 1092564174 /nfs/dbraw/zinc/56/41/74/1092564174.db2.gz QASUOGNSQQPXDW-AQNXPRMDSA-N 2 1 312.457 3.133 20 0 DGADMP COc1cc2[nH+]ccn2cc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169151543 1092565026 /nfs/dbraw/zinc/56/50/26/1092565026.db2.gz KYVSXHVTTPKRKJ-ACJLOTCBSA-N 2 1 316.449 3.299 20 0 DGADMP C[C@H](C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888263 1092569490 /nfs/dbraw/zinc/56/94/90/1092569490.db2.gz OXNKQKBEQAWZFY-AGIUHOORSA-N 2 1 318.408 3.310 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155155 1092570066 /nfs/dbraw/zinc/57/00/66/1092570066.db2.gz YQBRMSYAAPUQAD-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155155 1092570075 /nfs/dbraw/zinc/57/00/75/1092570075.db2.gz YQBRMSYAAPUQAD-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(CC(=O)OC(C)(C)C)CC1)C2 ZINC001169155624 1092570498 /nfs/dbraw/zinc/57/04/98/1092570498.db2.gz SPUYQEZSEHZIQK-BJWYYQGGSA-N 2 1 322.493 3.055 20 0 DGADMP CCC(=O)C(C)(C)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208916460 1092585407 /nfs/dbraw/zinc/58/54/07/1092585407.db2.gz JMYCWWJKAWNEGI-ROUUACIJSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC4(C3)CCCOC4)C2)cc1 ZINC001208930684 1092593561 /nfs/dbraw/zinc/59/35/61/1092593561.db2.gz CLCUJMXKNRFEDT-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC4(C3)CCCOC4)C2)cc1 ZINC001208930684 1092593573 /nfs/dbraw/zinc/59/35/73/1092593573.db2.gz CLCUJMXKNRFEDT-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP CCO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938974 1092600975 /nfs/dbraw/zinc/60/09/75/1092600975.db2.gz ALXCLCVGDRJLAB-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938974 1092600982 /nfs/dbraw/zinc/60/09/82/1092600982.db2.gz ALXCLCVGDRJLAB-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938974 1092600985 /nfs/dbraw/zinc/60/09/85/1092600985.db2.gz ALXCLCVGDRJLAB-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC001169230104 1092601349 /nfs/dbraw/zinc/60/13/49/1092601349.db2.gz QBLQAJQAZOFZGC-IBGZPJMESA-N 2 1 302.462 3.228 20 0 DGADMP FC1(F)CC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208940146 1092603150 /nfs/dbraw/zinc/60/31/50/1092603150.db2.gz AHEMIYSZWQJOOX-KSZLIROESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208940146 1092603155 /nfs/dbraw/zinc/60/31/55/1092603155.db2.gz AHEMIYSZWQJOOX-KSZLIROESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208940146 1092603157 /nfs/dbraw/zinc/60/31/57/1092603157.db2.gz AHEMIYSZWQJOOX-KSZLIROESA-N 2 1 320.427 3.486 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CCOC4)CC3)C2)cc1 ZINC001208947687 1092604580 /nfs/dbraw/zinc/60/45/80/1092604580.db2.gz LYBLZRRPRDGUFT-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP CCCOC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948168 1092605783 /nfs/dbraw/zinc/60/57/83/1092605783.db2.gz FIBVYQJVQVKJBG-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948082 1092605888 /nfs/dbraw/zinc/60/58/88/1092605888.db2.gz DVZZGGFEHUUKDI-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CCCO[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948082 1092605893 /nfs/dbraw/zinc/60/58/93/1092605893.db2.gz DVZZGGFEHUUKDI-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP c1cn2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001143028713 1092606966 /nfs/dbraw/zinc/60/69/66/1092606966.db2.gz HUVCJGZFSABPOB-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2n1 ZINC001143028713 1092606975 /nfs/dbraw/zinc/60/69/75/1092606975.db2.gz HUVCJGZFSABPOB-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP CC(C)[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961595 1092611031 /nfs/dbraw/zinc/61/10/31/1092611031.db2.gz GZTOTCZHJKUZMR-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961595 1092611036 /nfs/dbraw/zinc/61/10/36/1092611036.db2.gz GZTOTCZHJKUZMR-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961595 1092611041 /nfs/dbraw/zinc/61/10/41/1092611041.db2.gz GZTOTCZHJKUZMR-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961595 1092611042 /nfs/dbraw/zinc/61/10/42/1092611042.db2.gz GZTOTCZHJKUZMR-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001169244745 1092613336 /nfs/dbraw/zinc/61/33/36/1092613336.db2.gz UZYUHOHIZRBZRL-UHFFFAOYSA-N 2 1 313.445 3.492 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001169244432 1092613626 /nfs/dbraw/zinc/61/36/26/1092613626.db2.gz OISILQRLOGMRNW-CVEARBPZSA-N 2 1 323.278 3.379 20 0 DGADMP COCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209052596 1092635762 /nfs/dbraw/zinc/63/57/62/1092635762.db2.gz VTNAFUHXLXHWEZ-RYQLBKOJSA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209052596 1092635767 /nfs/dbraw/zinc/63/57/67/1092635767.db2.gz VTNAFUHXLXHWEZ-RYQLBKOJSA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209052596 1092635771 /nfs/dbraw/zinc/63/57/71/1092635771.db2.gz VTNAFUHXLXHWEZ-RYQLBKOJSA-N 2 1 322.518 3.317 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C(F)F)cc1)CC2 ZINC001143248260 1092641828 /nfs/dbraw/zinc/64/18/28/1092641828.db2.gz OPGICWSNKKSTBB-UHFFFAOYSA-N 2 1 323.387 3.254 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)c1F ZINC001143276107 1092647163 /nfs/dbraw/zinc/64/71/63/1092647163.db2.gz DSDYTAHRHFLWFK-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001209126188 1092663498 /nfs/dbraw/zinc/66/34/98/1092663498.db2.gz PDDCWWICABVRQY-UHFFFAOYSA-N 2 1 309.335 3.003 20 0 DGADMP FC(F)(F)c1ccc(CC[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001209126188 1092663500 /nfs/dbraw/zinc/66/35/00/1092663500.db2.gz PDDCWWICABVRQY-UHFFFAOYSA-N 2 1 309.335 3.003 20 0 DGADMP COCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209223827 1092702379 /nfs/dbraw/zinc/70/23/79/1092702379.db2.gz PGOHZBJXDWGAQC-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209223827 1092702385 /nfs/dbraw/zinc/70/23/85/1092702385.db2.gz PGOHZBJXDWGAQC-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209223827 1092702393 /nfs/dbraw/zinc/70/23/93/1092702393.db2.gz PGOHZBJXDWGAQC-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCc2cc(F)c(F)cc2F)CC1 ZINC001209255812 1092714777 /nfs/dbraw/zinc/71/47/77/1092714777.db2.gz UOTSZPHBAUAMDM-UHFFFAOYSA-N 2 1 300.368 3.063 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCc2cc(F)c(F)cc2F)CC1 ZINC001209255812 1092714782 /nfs/dbraw/zinc/71/47/82/1092714782.db2.gz UOTSZPHBAUAMDM-UHFFFAOYSA-N 2 1 300.368 3.063 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209410414 1092762522 /nfs/dbraw/zinc/76/25/22/1092762522.db2.gz PAGNWDFTSDRJTL-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209410414 1092762528 /nfs/dbraw/zinc/76/25/28/1092762528.db2.gz PAGNWDFTSDRJTL-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209410414 1092762532 /nfs/dbraw/zinc/76/25/32/1092762532.db2.gz PAGNWDFTSDRJTL-OALUTQOASA-N 2 1 316.489 3.255 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001206633137 1092766763 /nfs/dbraw/zinc/76/67/63/1092766763.db2.gz UOYPEILDOFUNNQ-LLVKDONJSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001206633137 1092766768 /nfs/dbraw/zinc/76/67/68/1092766768.db2.gz UOYPEILDOFUNNQ-LLVKDONJSA-N 2 1 320.330 3.285 20 0 DGADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccon1)CC2 ZINC001209563343 1092825197 /nfs/dbraw/zinc/82/51/97/1092825197.db2.gz XFOIPYSSYCESOY-QGZVFWFLSA-N 2 1 315.417 3.144 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccon1)CC2 ZINC001209563343 1092825208 /nfs/dbraw/zinc/82/52/08/1092825208.db2.gz XFOIPYSSYCESOY-QGZVFWFLSA-N 2 1 315.417 3.144 20 0 DGADMP c1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566644 1092826820 /nfs/dbraw/zinc/82/68/20/1092826820.db2.gz PMAFCTVFJNSTAV-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566644 1092826829 /nfs/dbraw/zinc/82/68/29/1092826829.db2.gz PMAFCTVFJNSTAV-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566644 1092826835 /nfs/dbraw/zinc/82/68/35/1092826835.db2.gz PMAFCTVFJNSTAV-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566644 1092826844 /nfs/dbraw/zinc/82/68/44/1092826844.db2.gz PMAFCTVFJNSTAV-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001209566644 1092826850 /nfs/dbraw/zinc/82/68/50/1092826850.db2.gz PMAFCTVFJNSTAV-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574573 1092833267 /nfs/dbraw/zinc/83/32/67/1092833267.db2.gz QRPYVYOSTSQLRN-HXUWFJFHSA-N 2 1 309.457 3.421 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574573 1092833281 /nfs/dbraw/zinc/83/32/81/1092833281.db2.gz QRPYVYOSTSQLRN-HXUWFJFHSA-N 2 1 309.457 3.421 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574573 1092833295 /nfs/dbraw/zinc/83/32/95/1092833295.db2.gz QRPYVYOSTSQLRN-HXUWFJFHSA-N 2 1 309.457 3.421 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001209574573 1092833310 /nfs/dbraw/zinc/83/33/10/1092833310.db2.gz QRPYVYOSTSQLRN-HXUWFJFHSA-N 2 1 309.457 3.421 20 0 DGADMP CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)C1(C)C ZINC001276653952 1092834113 /nfs/dbraw/zinc/83/41/13/1092834113.db2.gz YNJFZMPUMTXBCG-GBESFXJTSA-N 2 1 319.537 3.079 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4cc(F)ccc34)C[C@@H]2C1 ZINC001209696929 1092883231 /nfs/dbraw/zinc/88/32/31/1092883231.db2.gz ZLBPCUYRBNBVQW-GJZGRUSLSA-N 2 1 301.409 3.081 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001209725392 1092892354 /nfs/dbraw/zinc/89/23/54/1092892354.db2.gz JUEFPRZSNTXWAQ-XLIONFOSSA-N 2 1 323.440 3.033 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001209725392 1092892365 /nfs/dbraw/zinc/89/23/65/1092892365.db2.gz JUEFPRZSNTXWAQ-XLIONFOSSA-N 2 1 323.440 3.033 20 0 DGADMP C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1c[nH+]ccc1N ZINC001209733953 1092895979 /nfs/dbraw/zinc/89/59/79/1092895979.db2.gz XQVPUVBRZJTBAJ-UHFFFAOYSA-N 2 1 309.335 3.187 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1c[nH+]ccc1N ZINC001209733953 1092895984 /nfs/dbraw/zinc/89/59/84/1092895984.db2.gz XQVPUVBRZJTBAJ-UHFFFAOYSA-N 2 1 309.335 3.187 20 0 DGADMP CN1CCN(c2cc[nH+]cc2Nc2ccc3cnccc3c2)CC1 ZINC001210047258 1093026334 /nfs/dbraw/zinc/02/63/34/1093026334.db2.gz UFMFUJKHHCOWLK-UHFFFAOYSA-N 3 1 319.412 3.125 20 0 DGADMP Fc1cc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)c1 ZINC001210269405 1093103010 /nfs/dbraw/zinc/10/30/10/1093103010.db2.gz UJTSHFDADZVOKA-UHFFFAOYSA-N 2 1 324.762 3.166 20 0 DGADMP CSc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)c1 ZINC001210270937 1093104364 /nfs/dbraw/zinc/10/43/64/1093104364.db2.gz KJZKWUDGSWVZLE-UHFFFAOYSA-N 2 1 318.421 3.096 20 0 DGADMP Cc1nc2cc(Nc3ccnc(-c4cc(N)ccn4)c3)ccc2[nH]1 ZINC001213071515 1093507386 /nfs/dbraw/zinc/50/73/86/1093507386.db2.gz VYOVGAUIKJEQGJ-UHFFFAOYSA-N 2 1 316.368 3.076 20 0 DGADMP Fc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276699125 1093512323 /nfs/dbraw/zinc/51/23/23/1093512323.db2.gz WSFVSXRFYMJFKF-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276699125 1093512329 /nfs/dbraw/zinc/51/23/29/1093512329.db2.gz WSFVSXRFYMJFKF-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276699125 1093512334 /nfs/dbraw/zinc/51/23/34/1093512334.db2.gz WSFVSXRFYMJFKF-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP CC(C)[NH+](CCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000303377418 1093804623 /nfs/dbraw/zinc/80/46/23/1093804623.db2.gz ZHXFYDXNQOCCQZ-QUCCMNQESA-N 2 1 317.521 3.358 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC(F)F)cc1 ZINC001276746177 1094250310 /nfs/dbraw/zinc/25/03/10/1094250310.db2.gz ACEWFYANMGTXRL-GOOCMWNKSA-N 2 1 310.388 3.045 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC001276746177 1094250312 /nfs/dbraw/zinc/25/03/12/1094250312.db2.gz ACEWFYANMGTXRL-GOOCMWNKSA-N 2 1 310.388 3.045 20 0 DGADMP CC(C)c1ccc(-c2nnc([C@@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217725945 1094484363 /nfs/dbraw/zinc/48/43/63/1094484363.db2.gz WWQXLWYDLSGRSC-INIZCTEOSA-N 2 1 314.433 3.250 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217721982 1094484623 /nfs/dbraw/zinc/48/46/23/1094484623.db2.gz GFZMAXOEZBQTIV-MGPQQGTHSA-N 2 1 320.824 3.123 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Nc3cc[nH+]cc3)C2)cc1 ZINC001120779630 1094522539 /nfs/dbraw/zinc/52/25/39/1094522539.db2.gz KUOPVKTUUSCABC-INIZCTEOSA-N 2 1 321.346 3.209 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217967353 1094533764 /nfs/dbraw/zinc/53/37/64/1094533764.db2.gz REYJCKUPSNWSKH-UTKZUKDTSA-N 2 1 324.468 3.477 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH3+] ZINC001217968205 1094534423 /nfs/dbraw/zinc/53/44/23/1094534423.db2.gz XNGITQGVECXJDL-JXFKEZNVSA-N 2 1 310.441 3.435 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCOCC1 ZINC001170831410 1094608169 /nfs/dbraw/zinc/60/81/69/1094608169.db2.gz ONUYLZQKSJJMEP-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOCC1 ZINC001170831410 1094608177 /nfs/dbraw/zinc/60/81/77/1094608177.db2.gz ONUYLZQKSJJMEP-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOCC1 ZINC001170831410 1094608188 /nfs/dbraw/zinc/60/81/88/1094608188.db2.gz ONUYLZQKSJJMEP-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@@H]4CCCOCC4)C3)C2)cc1 ZINC001170831781 1094608312 /nfs/dbraw/zinc/60/83/12/1094608312.db2.gz SLBYHHRKMHWNRO-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@@H]4CCCOCC4)C3)C2)cc1 ZINC001170831781 1094608322 /nfs/dbraw/zinc/60/83/22/1094608322.db2.gz SLBYHHRKMHWNRO-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@@H]4CCCOCC4)C3)C2)cc1 ZINC001170831781 1094608334 /nfs/dbraw/zinc/60/83/34/1094608334.db2.gz SLBYHHRKMHWNRO-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001135691476 1094637480 /nfs/dbraw/zinc/63/74/80/1094637480.db2.gz VDHBYQMDDQICNC-IRXDYDNUSA-N 2 1 313.530 3.027 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3-n3cccn3)C2)C1 ZINC001276775296 1094644000 /nfs/dbraw/zinc/64/40/00/1094644000.db2.gz IDJWCDLWPAWUDG-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3-n3cccn3)C2)C1 ZINC001276775296 1094644005 /nfs/dbraw/zinc/64/40/05/1094644005.db2.gz IDJWCDLWPAWUDG-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3-n3cccn3)C2)C1 ZINC001276775296 1094644010 /nfs/dbraw/zinc/64/40/10/1094644010.db2.gz IDJWCDLWPAWUDG-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3-n3cccn3)CC2)C1 ZINC001276775240 1094644647 /nfs/dbraw/zinc/64/46/47/1094644647.db2.gz FQYFGIGJJNGWMT-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3c(c1)C(C)(C)C[NH2+]CC3)C2 ZINC001218180716 1094646053 /nfs/dbraw/zinc/64/60/53/1094646053.db2.gz BQKSUUBTIXEMNU-ALXJQNPVSA-N 2 1 314.473 3.114 20 0 DGADMP Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309692657 1094743619 /nfs/dbraw/zinc/74/36/19/1094743619.db2.gz DGHONCOALZLTKH-IBGZPJMESA-N 2 1 309.457 3.392 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309692657 1094743636 /nfs/dbraw/zinc/74/36/36/1094743636.db2.gz DGHONCOALZLTKH-IBGZPJMESA-N 2 1 309.457 3.392 20 0 DGADMP [NH3+]Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001218410619 1094760362 /nfs/dbraw/zinc/76/03/62/1094760362.db2.gz HDRYENHKQWXGBI-INIZCTEOSA-N 2 1 316.832 3.452 20 0 DGADMP Nc1nc(NCc2ccccc2C[NH+]2CCCCCC2)cc[nH+]1 ZINC001337034359 1094826241 /nfs/dbraw/zinc/82/62/41/1094826241.db2.gz QFIBROXYKOBIJH-UHFFFAOYSA-N 2 1 311.433 3.047 20 0 DGADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001122371639 1094960210 /nfs/dbraw/zinc/96/02/10/1094960210.db2.gz SVTYQMBIBFQAJI-AWEZNQCLSA-N 2 1 324.428 3.344 20 0 DGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001122370821 1094960455 /nfs/dbraw/zinc/96/04/55/1094960455.db2.gz AHLRZOBFCFCRHT-HNNXBMFYSA-N 2 1 318.465 3.035 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941392 1094975675 /nfs/dbraw/zinc/97/56/75/1094975675.db2.gz DKRRODDEFHKBDX-MAUKXSAKSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941392 1094975687 /nfs/dbraw/zinc/97/56/87/1094975687.db2.gz DKRRODDEFHKBDX-MAUKXSAKSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941392 1094975698 /nfs/dbraw/zinc/97/56/98/1094975698.db2.gz DKRRODDEFHKBDX-MAUKXSAKSA-N 2 1 304.865 3.225 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246095223 1095011789 /nfs/dbraw/zinc/01/17/89/1095011789.db2.gz DRJGHVQRZMVTRR-BMIGLBTASA-N 2 1 302.796 3.281 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000313676984 1095016089 /nfs/dbraw/zinc/01/60/89/1095016089.db2.gz JJZUHDLFYBNYEI-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000313676984 1095016100 /nfs/dbraw/zinc/01/61/00/1095016100.db2.gz JJZUHDLFYBNYEI-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000313718817 1095016843 /nfs/dbraw/zinc/01/68/43/1095016843.db2.gz VEBHSLVPWLBHMD-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000313718817 1095016858 /nfs/dbraw/zinc/01/68/58/1095016858.db2.gz VEBHSLVPWLBHMD-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000314091929 1095034821 /nfs/dbraw/zinc/03/48/21/1095034821.db2.gz XUYQLYSGIQNFST-ZDUSSCGKSA-N 2 1 302.340 3.146 20 0 DGADMP CC(C)n1ccn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001337804736 1095101815 /nfs/dbraw/zinc/10/18/15/1095101815.db2.gz FVUZYWKSSODLOG-JYJNAYRXSA-N 2 1 322.522 3.220 20 0 DGADMP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CCC2 ZINC001337805412 1095101907 /nfs/dbraw/zinc/10/19/07/1095101907.db2.gz KANXHRJNXKYRPD-CVEARBPZSA-N 2 1 304.482 3.209 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817832 1095180012 /nfs/dbraw/zinc/18/00/12/1095180012.db2.gz MQLNDSWNHPPVKU-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817832 1095180018 /nfs/dbraw/zinc/18/00/18/1095180018.db2.gz MQLNDSWNHPPVKU-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817832 1095180028 /nfs/dbraw/zinc/18/00/28/1095180028.db2.gz MQLNDSWNHPPVKU-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001276817832 1095180036 /nfs/dbraw/zinc/18/00/36/1095180036.db2.gz MQLNDSWNHPPVKU-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP CCCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316808594 1095193105 /nfs/dbraw/zinc/19/31/05/1095193105.db2.gz ODSGXQCDZSXLNU-FHWLQOOXSA-N 2 1 302.462 3.371 20 0 DGADMP CCCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316808594 1095193111 /nfs/dbraw/zinc/19/31/11/1095193111.db2.gz ODSGXQCDZSXLNU-FHWLQOOXSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055400 1095211256 /nfs/dbraw/zinc/21/12/56/1095211256.db2.gz HCROKJBQHOTCJA-MAUKXSAKSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055400 1095211262 /nfs/dbraw/zinc/21/12/62/1095211262.db2.gz HCROKJBQHOTCJA-MAUKXSAKSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055400 1095211266 /nfs/dbraw/zinc/21/12/66/1095211266.db2.gz HCROKJBQHOTCJA-MAUKXSAKSA-N 2 1 304.865 3.225 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C1(C[NH3+])CCC1 ZINC001246355626 1095246005 /nfs/dbraw/zinc/24/60/05/1095246005.db2.gz KZXXNYMYMFHKPN-SNVBAGLBSA-N 2 1 302.796 3.410 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960818 1095409053 /nfs/dbraw/zinc/40/90/53/1095409053.db2.gz HZMGRKKUPGXAJX-HOJAQTOUSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960818 1095409056 /nfs/dbraw/zinc/40/90/56/1095409056.db2.gz HZMGRKKUPGXAJX-HOJAQTOUSA-N 2 1 314.473 3.152 20 0 DGADMP C(CN1CCCC2(CCCC[NH2+]C2)CCC1)[C@H]1CCCC[NH2+]1 ZINC001222110096 1095437220 /nfs/dbraw/zinc/43/72/20/1095437220.db2.gz XDVWRYOFGGZQCT-GOSISDBHSA-N 2 1 307.526 3.155 20 0 DGADMP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c21 ZINC001222147831 1095457732 /nfs/dbraw/zinc/45/77/32/1095457732.db2.gz BRWFHVBMJTYVDP-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c21 ZINC001222147831 1095457735 /nfs/dbraw/zinc/45/77/35/1095457735.db2.gz BRWFHVBMJTYVDP-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222147849 1095457929 /nfs/dbraw/zinc/45/79/29/1095457929.db2.gz BZMCKRHXUYDYDD-FQEVSTJZSA-N 2 1 313.489 3.252 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(CC)c1O ZINC001222147813 1095457994 /nfs/dbraw/zinc/45/79/94/1095457994.db2.gz BEVDYPCVQMEFHK-IBGZPJMESA-N 2 1 302.462 3.093 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222153810 1095461343 /nfs/dbraw/zinc/46/13/43/1095461343.db2.gz ANGJXMXNVRIBHE-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222153810 1095461347 /nfs/dbraw/zinc/46/13/47/1095461347.db2.gz ANGJXMXNVRIBHE-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CCc1nc(C)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222160549 1095467141 /nfs/dbraw/zinc/46/71/41/1095467141.db2.gz FYFSJZMJBXBXOW-GOSISDBHSA-N 2 1 304.482 3.026 20 0 DGADMP CCc1nc(C)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222160549 1095467148 /nfs/dbraw/zinc/46/71/48/1095467148.db2.gz FYFSJZMJBXBXOW-GOSISDBHSA-N 2 1 304.482 3.026 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)ccc2n1 ZINC001222160266 1095467750 /nfs/dbraw/zinc/46/77/50/1095467750.db2.gz DLSXNLHWILPVRL-FQEVSTJZSA-N 2 1 324.472 3.376 20 0 DGADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161929 1095468616 /nfs/dbraw/zinc/46/86/16/1095468616.db2.gz UALLDKQEACFVOR-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161929 1095468624 /nfs/dbraw/zinc/46/86/24/1095468624.db2.gz UALLDKQEACFVOR-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP c1[nH]c2cccnc2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167376 1095473274 /nfs/dbraw/zinc/47/32/74/1095473274.db2.gz LCVHNNVEJRBNMF-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2c(cccc2C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222167450 1095474013 /nfs/dbraw/zinc/47/40/13/1095474013.db2.gz LVTXJTLFHVQNCZ-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cccc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2[nH]1 ZINC001222167450 1095474019 /nfs/dbraw/zinc/47/40/19/1095474019.db2.gz LVTXJTLFHVQNCZ-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2[nH]1 ZINC001222167450 1095474023 /nfs/dbraw/zinc/47/40/23/1095474023.db2.gz LVTXJTLFHVQNCZ-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222168220 1095476870 /nfs/dbraw/zinc/47/68/70/1095476870.db2.gz YCNFSDOGXPSWRP-IBGZPJMESA-N 2 1 301.478 3.444 20 0 DGADMP c1cn2c(cccc2C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222172621 1095478170 /nfs/dbraw/zinc/47/81/70/1095478170.db2.gz LXCWTMHDLGDXCO-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171131748 1095488807 /nfs/dbraw/zinc/48/88/07/1095488807.db2.gz AXHONBDFERELMF-GOSISDBHSA-N 2 1 304.865 3.367 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC001116288960 1095504754 /nfs/dbraw/zinc/50/47/54/1095504754.db2.gz KFEPDILOKLLJES-MAUKXSAKSA-N 2 1 313.445 3.204 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC001116288038 1095504934 /nfs/dbraw/zinc/50/49/34/1095504934.db2.gz BLMXQZZBOPWIFU-BEFAXECRSA-N 2 1 302.462 3.394 20 0 DGADMP c1cncc(-c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)c1 ZINC001222243740 1095507579 /nfs/dbraw/zinc/50/75/79/1095507579.db2.gz NVOGFQNONYBKHA-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1cncc(-c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)c1 ZINC001222243740 1095507589 /nfs/dbraw/zinc/50/75/89/1095507589.db2.gz NVOGFQNONYBKHA-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC001116294724 1095508381 /nfs/dbraw/zinc/50/83/81/1095508381.db2.gz QDPZKXIDFKXGAG-XJKSGUPXSA-N 2 1 302.418 3.261 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC001116294724 1095508387 /nfs/dbraw/zinc/50/83/87/1095508387.db2.gz QDPZKXIDFKXGAG-XJKSGUPXSA-N 2 1 302.418 3.261 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264491 1095519509 /nfs/dbraw/zinc/51/95/09/1095519509.db2.gz BOIGOQFPJWQMHT-FQEVSTJZSA-N 2 1 324.472 3.146 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278277 1095525970 /nfs/dbraw/zinc/52/59/70/1095525970.db2.gz ZREOWNXPHRPDCI-LJQANCHMSA-N 2 1 302.462 3.278 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278277 1095525979 /nfs/dbraw/zinc/52/59/79/1095525979.db2.gz ZREOWNXPHRPDCI-LJQANCHMSA-N 2 1 302.462 3.278 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222307757 1095541256 /nfs/dbraw/zinc/54/12/56/1095541256.db2.gz BDQJNELXQBOABO-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP CC(C)Oc1ncccc1CC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307862 1095542048 /nfs/dbraw/zinc/54/20/48/1095542048.db2.gz CRGCBFFTKHFXIC-LJQANCHMSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144176794 1095543691 /nfs/dbraw/zinc/54/36/91/1095543691.db2.gz LMDDFEAUYUYXDL-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1Cl ZINC001222316360 1095546002 /nfs/dbraw/zinc/54/60/02/1095546002.db2.gz UXAUIBFTMHKNSY-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1Cl ZINC001222316360 1095546016 /nfs/dbraw/zinc/54/60/16/1095546016.db2.gz UXAUIBFTMHKNSY-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP Fc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c2c(c1)CCCO2 ZINC001222320197 1095549249 /nfs/dbraw/zinc/54/92/49/1095549249.db2.gz CUTPLVQYRBBHLV-LJQANCHMSA-N 2 1 318.436 3.259 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c2c(c1)CCCO2 ZINC001222320197 1095549258 /nfs/dbraw/zinc/54/92/58/1095549258.db2.gz CUTPLVQYRBBHLV-LJQANCHMSA-N 2 1 318.436 3.259 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144200659 1095552216 /nfs/dbraw/zinc/55/22/16/1095552216.db2.gz HKEQJRUDRHLHHM-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC001116445544 1095557106 /nfs/dbraw/zinc/55/71/06/1095557106.db2.gz UHSDPBQKSSEWAI-HKUYNNGSSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC001116445544 1095557117 /nfs/dbraw/zinc/55/71/17/1095557117.db2.gz UHSDPBQKSSEWAI-HKUYNNGSSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC001116445544 1095557129 /nfs/dbraw/zinc/55/71/29/1095557129.db2.gz UHSDPBQKSSEWAI-HKUYNNGSSA-N 2 1 315.505 3.449 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@@H]2C1 ZINC001144252752 1095577226 /nfs/dbraw/zinc/57/72/26/1095577226.db2.gz WFWHSORPDZBTKG-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]2C1 ZINC001144252752 1095577233 /nfs/dbraw/zinc/57/72/33/1095577233.db2.gz WFWHSORPDZBTKG-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]2C1 ZINC001144252752 1095577246 /nfs/dbraw/zinc/57/72/46/1095577246.db2.gz WFWHSORPDZBTKG-KDURUIRLSA-N 2 1 309.457 3.251 20 0 DGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc4[nH+]c(N)[nH]c4c3)c2c1 ZINC001171168724 1095622898 /nfs/dbraw/zinc/62/28/98/1095622898.db2.gz MGEQGMAIYRKRPR-GFCCVEGCSA-N 2 1 319.412 3.287 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2cnn(CC[NH+]3CCCC3)c2)c1 ZINC001222488104 1095638047 /nfs/dbraw/zinc/63/80/47/1095638047.db2.gz JTZFBQDSSICPBD-UHFFFAOYSA-N 2 1 312.417 3.008 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC1CC[NH+](C)CC1 ZINC001222504198 1095642715 /nfs/dbraw/zinc/64/27/15/1095642715.db2.gz PWFSZELULYJUHQ-LPHOPBHVSA-N 2 1 302.462 3.008 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)cn1 ZINC001339603318 1095671982 /nfs/dbraw/zinc/67/19/82/1095671982.db2.gz FFJHYRBAWXSIMP-LJQANCHMSA-N 2 1 312.461 3.003 20 0 DGADMP c1[nH]c2ccccc2c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595660 1095682539 /nfs/dbraw/zinc/68/25/39/1095682539.db2.gz GEBSIMZVPDAEOU-LJQANCHMSA-N 2 1 317.436 3.357 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602630 1095688366 /nfs/dbraw/zinc/68/83/66/1095688366.db2.gz VUJAFRZZBAHMOZ-LJQANCHMSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602630 1095688370 /nfs/dbraw/zinc/68/83/70/1095688370.db2.gz VUJAFRZZBAHMOZ-LJQANCHMSA-N 2 1 310.416 3.323 20 0 DGADMP Brc1ccccc1CCC[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614323 1095693470 /nfs/dbraw/zinc/69/34/70/1095693470.db2.gz CVMHFDVWIASHNT-GOEBONIOSA-N 2 1 323.278 3.066 20 0 DGADMP Brc1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614323 1095693475 /nfs/dbraw/zinc/69/34/75/1095693475.db2.gz CVMHFDVWIASHNT-GOEBONIOSA-N 2 1 323.278 3.066 20 0 DGADMP Fc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)cc1Cl ZINC001222623454 1095698008 /nfs/dbraw/zinc/69/80/08/1095698008.db2.gz JOTVYSPIPMNBHT-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222630020 1095699975 /nfs/dbraw/zinc/69/99/75/1095699975.db2.gz WPNJIFVPJZRXRN-HDICACEKSA-N 2 1 310.441 3.280 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@H]2CCC[C@@H]21 ZINC001117112729 1095715368 /nfs/dbraw/zinc/71/53/68/1095715368.db2.gz NYJAZEXBOFQYDF-AGIUHOORSA-N 2 1 313.239 3.005 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@H]2CCC[C@@H]21 ZINC001117112729 1095715378 /nfs/dbraw/zinc/71/53/78/1095715378.db2.gz NYJAZEXBOFQYDF-AGIUHOORSA-N 2 1 313.239 3.005 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@@H]2CCC[C@@H]21 ZINC001117112732 1095716305 /nfs/dbraw/zinc/71/63/05/1095716305.db2.gz NYJAZEXBOFQYDF-AVGNSLFASA-N 2 1 313.239 3.005 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)o2)[C@@H]2CCC[C@@H]21 ZINC001117112732 1095716318 /nfs/dbraw/zinc/71/63/18/1095716318.db2.gz NYJAZEXBOFQYDF-AVGNSLFASA-N 2 1 313.239 3.005 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001137851638 1095764400 /nfs/dbraw/zinc/76/44/00/1095764400.db2.gz LMQCUCBQBIYISQ-LJQANCHMSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001137851638 1095764410 /nfs/dbraw/zinc/76/44/10/1095764410.db2.gz LMQCUCBQBIYISQ-LJQANCHMSA-N 2 1 316.489 3.379 20 0 DGADMP C[N@H+](Cc1cc(F)c(F)cc1Cl)CC1CC[NH+](C)CC1 ZINC001144726120 1095782549 /nfs/dbraw/zinc/78/25/49/1095782549.db2.gz FPTRAUORLKQRKU-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC001117748720 1095831300 /nfs/dbraw/zinc/83/13/00/1095831300.db2.gz JPMLVSKXDJCIDN-MAUKXSAKSA-N 2 1 318.461 3.246 20 0 DGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001118017914 1095922911 /nfs/dbraw/zinc/92/29/11/1095922911.db2.gz COHIFNGIOYBZKU-HUUCEWRRSA-N 2 1 300.450 3.116 20 0 DGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001118017914 1095922916 /nfs/dbraw/zinc/92/29/16/1095922916.db2.gz COHIFNGIOYBZKU-HUUCEWRRSA-N 2 1 300.450 3.116 20 0 DGADMP CCCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC001118314932 1095981924 /nfs/dbraw/zinc/98/19/24/1095981924.db2.gz DUURMLMCIMLAPF-AQNXPRMDSA-N 2 1 316.489 3.500 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001146593140 1096068506 /nfs/dbraw/zinc/06/85/06/1096068506.db2.gz OEZLCJHPPQHIBB-IRXDYDNUSA-N 2 1 323.525 3.090 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171292039 1096135083 /nfs/dbraw/zinc/13/50/83/1096135083.db2.gz IUQRJOLCCKTXNQ-AWEZNQCLSA-N 2 1 322.880 3.280 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)O2)cc1 ZINC001119290361 1096154542 /nfs/dbraw/zinc/15/45/42/1096154542.db2.gz SRTMZJUIPFEUFS-OALUTQOASA-N 2 1 314.473 3.372 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1cccnc1 ZINC001119542124 1096223812 /nfs/dbraw/zinc/22/38/12/1096223812.db2.gz XGQWMGBTFCEKLA-XBMUEBEBSA-N 2 1 317.477 3.156 20 0 DGADMP Cc1cccc(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)[nH+]1 ZINC001276981298 1096239961 /nfs/dbraw/zinc/23/99/61/1096239961.db2.gz XCULYWFTGTWZJC-UHFFFAOYSA-N 2 1 307.441 3.374 20 0 DGADMP Cc1cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)ns1 ZINC001276985233 1096246085 /nfs/dbraw/zinc/24/60/85/1096246085.db2.gz RVUDFIBXUKPCHR-UHFFFAOYSA-N 2 1 305.491 3.292 20 0 DGADMP C[N@H+]1CCCC[C@@H]1COC1CC[NH+](Cc2ccccc2)CC1 ZINC001224702096 1096266452 /nfs/dbraw/zinc/26/64/52/1096266452.db2.gz LAXMDLOGTFXMMA-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)[N@H+]1CC[C@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224822695 1096291821 /nfs/dbraw/zinc/29/18/21/1096291821.db2.gz BSDWYJVIEKQNNP-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224822695 1096291830 /nfs/dbraw/zinc/29/18/30/1096291830.db2.gz BSDWYJVIEKQNNP-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+]1CC[C@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224822695 1096291838 /nfs/dbraw/zinc/29/18/38/1096291838.db2.gz BSDWYJVIEKQNNP-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCC[NH+]1C ZINC001224820942 1096292177 /nfs/dbraw/zinc/29/21/77/1096292177.db2.gz XXXLOHWTLXBCGQ-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224820942 1096292184 /nfs/dbraw/zinc/29/21/84/1096292184.db2.gz XXXLOHWTLXBCGQ-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224820942 1096292190 /nfs/dbraw/zinc/29/21/90/1096292190.db2.gz XXXLOHWTLXBCGQ-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001224828195 1096294878 /nfs/dbraw/zinc/29/48/78/1096294878.db2.gz CBMOCOLVKJBCDW-DLBZAZTESA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224828195 1096294890 /nfs/dbraw/zinc/29/48/90/1096294890.db2.gz CBMOCOLVKJBCDW-DLBZAZTESA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224828195 1096294900 /nfs/dbraw/zinc/29/49/00/1096294900.db2.gz CBMOCOLVKJBCDW-DLBZAZTESA-N 2 1 308.853 3.025 20 0 DGADMP C[N@H+]1CCC[C@@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832117 1096296136 /nfs/dbraw/zinc/29/61/36/1096296136.db2.gz TUTXXPLUXNDBDF-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224832117 1096296142 /nfs/dbraw/zinc/29/61/42/1096296142.db2.gz TUTXXPLUXNDBDF-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224832117 1096296148 /nfs/dbraw/zinc/29/61/48/1096296148.db2.gz TUTXXPLUXNDBDF-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCC[NH+](C)C ZINC001224990913 1096330497 /nfs/dbraw/zinc/33/04/97/1096330497.db2.gz ITVRQPYKULRILE-PKOBYXMFSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)Cc1ncccc1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001225278830 1096382512 /nfs/dbraw/zinc/38/25/12/1096382512.db2.gz RZXJZJAZTAHCRK-UHFFFAOYSA-N 2 1 305.466 3.173 20 0 DGADMP C[NH+](C)Cc1ccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC001225332482 1096398533 /nfs/dbraw/zinc/39/85/33/1096398533.db2.gz KZYQJLBPMCGHSN-IBGZPJMESA-N 2 1 321.424 3.445 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171339108 1096453134 /nfs/dbraw/zinc/45/31/34/1096453134.db2.gz ZLXSBRFLGYWAFP-QGZVFWFLSA-N 2 1 316.395 3.283 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171339108 1096453137 /nfs/dbraw/zinc/45/31/37/1096453137.db2.gz ZLXSBRFLGYWAFP-QGZVFWFLSA-N 2 1 316.395 3.283 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171339264 1096456446 /nfs/dbraw/zinc/45/64/46/1096456446.db2.gz DKEBOOCWIIXKJK-CZUORRHYSA-N 2 1 308.416 3.144 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171347650 1096510557 /nfs/dbraw/zinc/51/05/57/1096510557.db2.gz XHMVWVKWHVJEHG-NXOAAHMSSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171347650 1096510564 /nfs/dbraw/zinc/51/05/64/1096510564.db2.gz XHMVWVKWHVJEHG-NXOAAHMSSA-N 2 1 320.427 3.427 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c(F)cccc3C2)[C@H](C)C1 ZINC001171419914 1096717600 /nfs/dbraw/zinc/71/76/00/1096717600.db2.gz WYXVCHQDWSFTHQ-SIXWZSSISA-N 2 1 304.453 3.391 20 0 DGADMP CCN(C)C[C@@H](O)C[N@H+](Cc1c(C)cccc1C)CC(C)C ZINC001171457790 1096889482 /nfs/dbraw/zinc/88/94/82/1096889482.db2.gz MBJOLLWPNXRSLE-GOSISDBHSA-N 2 1 306.494 3.074 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1c(C)cccc1C)CC(C)C ZINC001171457790 1096889490 /nfs/dbraw/zinc/88/94/90/1096889490.db2.gz MBJOLLWPNXRSLE-GOSISDBHSA-N 2 1 306.494 3.074 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1c(C)cccc1C)CC(C)C ZINC001171457790 1096889497 /nfs/dbraw/zinc/88/94/97/1096889497.db2.gz MBJOLLWPNXRSLE-GOSISDBHSA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1c(C)cccc1C)CC(C)C ZINC001171457790 1096889504 /nfs/dbraw/zinc/88/95/04/1096889504.db2.gz MBJOLLWPNXRSLE-GOSISDBHSA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1c(C)cccc1C)CC(C)C ZINC001171457790 1096889511 /nfs/dbraw/zinc/88/95/11/1096889511.db2.gz MBJOLLWPNXRSLE-GOSISDBHSA-N 2 1 306.494 3.074 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171460979 1096891222 /nfs/dbraw/zinc/89/12/22/1096891222.db2.gz VCQSOKOLQPKSCM-JLSDUUJJSA-N 2 1 308.416 3.285 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171486748 1096895846 /nfs/dbraw/zinc/89/58/46/1096895846.db2.gz GEGSKIMIMMLVJU-INIZCTEOSA-N 2 1 308.416 3.096 20 0 DGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171512014 1096915411 /nfs/dbraw/zinc/91/54/11/1096915411.db2.gz MTOMRIWLSVJQFM-WXRRBKDZSA-N 2 1 312.379 3.163 20 0 DGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCc3c(O)cccc3C2)CC1(C)C ZINC001171631963 1096930749 /nfs/dbraw/zinc/93/07/49/1096930749.db2.gz RFDUGXIZRCXLIP-UHFFFAOYSA-N 2 1 302.462 3.402 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3c(O)cccc3C2)CC1(C)C ZINC001171631963 1096930752 /nfs/dbraw/zinc/93/07/52/1096930752.db2.gz RFDUGXIZRCXLIP-UHFFFAOYSA-N 2 1 302.462 3.402 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171619365 1096935472 /nfs/dbraw/zinc/93/54/72/1096935472.db2.gz LLSSLAYJYLECTN-UHFFFAOYSA-N 2 1 317.477 3.386 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620754 1096935941 /nfs/dbraw/zinc/93/59/41/1096935941.db2.gz FGQGPBGTWWWVTN-INIZCTEOSA-N 2 1 309.542 3.492 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620754 1096935946 /nfs/dbraw/zinc/93/59/46/1096935946.db2.gz FGQGPBGTWWWVTN-INIZCTEOSA-N 3 1 309.542 3.492 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620754 1096935953 /nfs/dbraw/zinc/93/59/53/1096935953.db2.gz FGQGPBGTWWWVTN-INIZCTEOSA-N 3 1 309.542 3.492 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1(C)C ZINC001171623350 1096937084 /nfs/dbraw/zinc/93/70/84/1096937084.db2.gz VJLNCKGHJUJATO-MSOLQXFVSA-N 2 1 316.489 3.276 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2c3ccccc3CC[C@@H]2O)CC1(C)C ZINC001171623353 1096937168 /nfs/dbraw/zinc/93/71/68/1096937168.db2.gz VJLNCKGHJUJATO-ZWKOTPCHSA-N 2 1 316.489 3.276 20 0 DGADMP CO[C@H]1CCC[C@@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]21 ZINC001171636016 1096948246 /nfs/dbraw/zinc/94/82/46/1096948246.db2.gz CMIKFELHHUANQZ-PVAVHDDUSA-N 2 1 308.510 3.385 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]2c2cnccn2)CC1(C)C ZINC001171639766 1096949278 /nfs/dbraw/zinc/94/92/78/1096949278.db2.gz SRBSVIDGCNBKSF-INIZCTEOSA-N 2 1 302.466 3.265 20 0 DGADMP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171727347 1096956093 /nfs/dbraw/zinc/95/60/93/1096956093.db2.gz BYBHRJOHXWEWJX-MAUKXSAKSA-N 2 1 308.429 3.049 20 0 DGADMP C[NH2+]Cc1ccc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001171758635 1096962531 /nfs/dbraw/zinc/96/25/31/1096962531.db2.gz ZMMAVIKMFNZHLJ-JXFKEZNVSA-N 2 1 309.457 3.481 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171762745 1096965031 /nfs/dbraw/zinc/96/50/31/1096965031.db2.gz MFSNFLKERRPITI-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(N(C)[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761871 1096965360 /nfs/dbraw/zinc/96/53/60/1096965360.db2.gz GKIGPRLSCZROHU-PXNSSMCTSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)N([C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH3+] ZINC001171741240 1096973302 /nfs/dbraw/zinc/97/33/02/1096973302.db2.gz OUEVKJMAPGOMKF-SJLPKXTDSA-N 2 1 303.494 3.097 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC001277253422 1097014771 /nfs/dbraw/zinc/01/47/71/1097014771.db2.gz DNCDJWVZYZYIJQ-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc2)n1 ZINC001277253422 1097014777 /nfs/dbraw/zinc/01/47/77/1097014777.db2.gz DNCDJWVZYZYIJQ-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc2)n1 ZINC001277253422 1097014781 /nfs/dbraw/zinc/01/47/81/1097014781.db2.gz DNCDJWVZYZYIJQ-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP COC[C@@H]1CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171990150 1097015154 /nfs/dbraw/zinc/01/51/54/1097015154.db2.gz KYSIBUUIDYJLPR-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990150 1097015158 /nfs/dbraw/zinc/01/51/58/1097015158.db2.gz KYSIBUUIDYJLPR-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990150 1097015164 /nfs/dbraw/zinc/01/51/64/1097015164.db2.gz KYSIBUUIDYJLPR-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@H]1CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171990153 1097015298 /nfs/dbraw/zinc/01/52/98/1097015298.db2.gz KYSIBUUIDYJLPR-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@H]1CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990153 1097015304 /nfs/dbraw/zinc/01/53/04/1097015304.db2.gz KYSIBUUIDYJLPR-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@H]1CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990153 1097015309 /nfs/dbraw/zinc/01/53/09/1097015309.db2.gz KYSIBUUIDYJLPR-ZWKOTPCHSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@]1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171975216 1097022936 /nfs/dbraw/zinc/02/29/36/1097022936.db2.gz CTYOQKCPLZLYGH-MJGOQNOKSA-N 2 1 302.462 3.198 20 0 DGADMP CC1([NH3+])CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974994 1097023381 /nfs/dbraw/zinc/02/33/81/1097023381.db2.gz JNRYJTBCPRRNON-GOSISDBHSA-N 2 1 315.505 3.243 20 0 DGADMP COCC1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976488 1097025147 /nfs/dbraw/zinc/02/51/47/1097025147.db2.gz LPBSMRHZHVFBST-GOSISDBHSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978579 1097027474 /nfs/dbraw/zinc/02/74/74/1097027474.db2.gz ZSEAXLRZCWPGNC-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978579 1097027480 /nfs/dbraw/zinc/02/74/80/1097027480.db2.gz ZSEAXLRZCWPGNC-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978579 1097027485 /nfs/dbraw/zinc/02/74/85/1097027485.db2.gz ZSEAXLRZCWPGNC-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983377 1097028168 /nfs/dbraw/zinc/02/81/68/1097028168.db2.gz WQVGTFMQALDYPE-GOSISDBHSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983377 1097028172 /nfs/dbraw/zinc/02/81/72/1097028172.db2.gz WQVGTFMQALDYPE-GOSISDBHSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983377 1097028176 /nfs/dbraw/zinc/02/81/76/1097028176.db2.gz WQVGTFMQALDYPE-GOSISDBHSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H](N2CCn3cncc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988064 1097029819 /nfs/dbraw/zinc/02/98/19/1097029819.db2.gz OLOXCJZZCKDFBR-GOSISDBHSA-N 2 1 324.472 3.142 20 0 DGADMP O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172079747 1097038281 /nfs/dbraw/zinc/03/82/81/1097038281.db2.gz QSLKOYCAAXKPMD-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172079747 1097038288 /nfs/dbraw/zinc/03/82/88/1097038288.db2.gz QSLKOYCAAXKPMD-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172079747 1097038294 /nfs/dbraw/zinc/03/82/94/1097038294.db2.gz QSLKOYCAAXKPMD-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172079747 1097038302 /nfs/dbraw/zinc/03/83/02/1097038302.db2.gz QSLKOYCAAXKPMD-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@H]1F ZINC001206156934 1097039815 /nfs/dbraw/zinc/03/98/15/1097039815.db2.gz UHZNBTPNRZJVAQ-ZIAGYGMSSA-N 2 1 305.224 3.297 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)CC[C@H]1F ZINC001206156934 1097039822 /nfs/dbraw/zinc/03/98/22/1097039822.db2.gz UHZNBTPNRZJVAQ-ZIAGYGMSSA-N 2 1 305.224 3.297 20 0 DGADMP C[NH+](C)CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100585 1097042062 /nfs/dbraw/zinc/04/20/62/1097042062.db2.gz FNIQHECATXOHDV-HAGHYFMRSA-N 2 1 315.505 3.284 20 0 DGADMP CCN(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC001172099154 1097042304 /nfs/dbraw/zinc/04/23/04/1097042304.db2.gz FXKSIWKWFXEARW-REPLKXPHSA-N 2 1 315.505 3.426 20 0 DGADMP COC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064084 1097043560 /nfs/dbraw/zinc/04/35/60/1097043560.db2.gz FKWMTGKMUFQFAC-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP [NH3+]CCc1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172064198 1097044265 /nfs/dbraw/zinc/04/42/65/1097044265.db2.gz FTDJTSHGKDWSAB-ACDBMABISA-N 2 1 324.472 3.143 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@H]2CCOC2)C3)cc1 ZINC001172066093 1097044404 /nfs/dbraw/zinc/04/44/04/1097044404.db2.gz TXXGQZCQLCDQNU-YSTOQKLRSA-N 2 1 314.473 3.198 20 0 DGADMP COc1cccc(CCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172104059 1097052458 /nfs/dbraw/zinc/05/24/58/1097052458.db2.gz ZGTSSCJISKBMJS-BCDXTJNWSA-N 2 1 302.462 3.233 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCOCc1ccccc1)C2 ZINC001172107356 1097054683 /nfs/dbraw/zinc/05/46/83/1097054683.db2.gz VZJPTNAGJNHKSB-LDLYASANSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105815 1097055155 /nfs/dbraw/zinc/05/51/55/1097055155.db2.gz KTEWAANSUNXPCX-XMTFNYHQSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105815 1097055161 /nfs/dbraw/zinc/05/51/61/1097055161.db2.gz KTEWAANSUNXPCX-XMTFNYHQSA-N 2 1 322.880 3.368 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105537 1097055517 /nfs/dbraw/zinc/05/55/17/1097055517.db2.gz IYBKMBQAALNHPK-KRXQYRFLSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105537 1097055522 /nfs/dbraw/zinc/05/55/22/1097055522.db2.gz IYBKMBQAALNHPK-KRXQYRFLSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cccnc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172109093 1097056053 /nfs/dbraw/zinc/05/60/53/1097056053.db2.gz GNJOYQZDQDRYRF-CUSZFKRNSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccnc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172109093 1097056059 /nfs/dbraw/zinc/05/60/59/1097056059.db2.gz GNJOYQZDQDRYRF-CUSZFKRNSA-N 2 1 315.461 3.146 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001172112831 1097058796 /nfs/dbraw/zinc/05/87/96/1097058796.db2.gz AKRWWVSYQJYKJM-XLMAVXFVSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172112831 1097058801 /nfs/dbraw/zinc/05/88/01/1097058801.db2.gz AKRWWVSYQJYKJM-XLMAVXFVSA-N 2 1 300.446 3.424 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1cccnc1)C2 ZINC001172112132 1097059083 /nfs/dbraw/zinc/05/90/83/1097059083.db2.gz RXTMEJVSKDLWMF-BCDXTJNWSA-N 2 1 301.478 3.255 20 0 DGADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112548 1097059267 /nfs/dbraw/zinc/05/92/67/1097059267.db2.gz XJFQFCFZADTVAD-OSYLJGHBSA-N 2 1 301.478 3.273 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172114318 1097060509 /nfs/dbraw/zinc/06/05/09/1097060509.db2.gz NIYKIWPVSOWNEN-REPLKXPHSA-N 3 1 321.553 3.349 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172114318 1097060514 /nfs/dbraw/zinc/06/05/14/1097060514.db2.gz NIYKIWPVSOWNEN-REPLKXPHSA-N 2 1 321.553 3.349 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116233 1097061506 /nfs/dbraw/zinc/06/15/06/1097061506.db2.gz YSFXLQMLQCWYCJ-LDLYASANSA-N 3 1 307.526 3.103 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172116233 1097061513 /nfs/dbraw/zinc/06/15/13/1097061513.db2.gz YSFXLQMLQCWYCJ-LDLYASANSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113981 1097062668 /nfs/dbraw/zinc/06/26/68/1097062668.db2.gz NGYLHXRUVUNIMG-LMZXCBKASA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113981 1097062675 /nfs/dbraw/zinc/06/26/75/1097062675.db2.gz NGYLHXRUVUNIMG-LMZXCBKASA-N 3 1 307.526 3.244 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@](CF)(C(F)(F)F)C1)C2 ZINC001172122318 1097065091 /nfs/dbraw/zinc/06/50/91/1097065091.db2.gz ZXGCLNSBMUYPBJ-XJFOESAGSA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@](CF)(C(F)(F)F)C1)C2 ZINC001172122318 1097065095 /nfs/dbraw/zinc/06/50/95/1097065095.db2.gz ZXGCLNSBMUYPBJ-XJFOESAGSA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@](CF)(C(F)(F)F)C1)C2 ZINC001172122318 1097065101 /nfs/dbraw/zinc/06/51/01/1097065101.db2.gz ZXGCLNSBMUYPBJ-XJFOESAGSA-N 2 1 308.363 3.226 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001172247626 1097090366 /nfs/dbraw/zinc/09/03/66/1097090366.db2.gz NVTVXJMVQYSDFB-LJQANCHMSA-N 2 1 320.452 3.367 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC001172253273 1097091363 /nfs/dbraw/zinc/09/13/63/1097091363.db2.gz JDNRNKZUDJFDCW-MRXNPFEDSA-N 2 1 320.477 3.189 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC001172253273 1097091368 /nfs/dbraw/zinc/09/13/68/1097091368.db2.gz JDNRNKZUDJFDCW-MRXNPFEDSA-N 2 1 320.477 3.189 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001172255312 1097093014 /nfs/dbraw/zinc/09/30/14/1097093014.db2.gz NMYNHOTUXGIWTH-UHFFFAOYSA-N 2 1 320.521 3.388 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001172255312 1097093020 /nfs/dbraw/zinc/09/30/20/1097093020.db2.gz NMYNHOTUXGIWTH-UHFFFAOYSA-N 2 1 320.521 3.388 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172283045 1097104014 /nfs/dbraw/zinc/10/40/14/1097104014.db2.gz VWQJBTRWOAYUNF-BZSNNMDCSA-N 2 1 320.452 3.465 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001172446124 1097156900 /nfs/dbraw/zinc/15/69/00/1097156900.db2.gz IGCRHUMIFLMGIU-GVDBMIGSSA-N 2 1 322.518 3.315 20 0 DGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172460047 1097161583 /nfs/dbraw/zinc/16/15/83/1097161583.db2.gz DESWWLGDERBTMF-LMCOJAPRSA-N 2 1 316.489 3.158 20 0 DGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172460047 1097161585 /nfs/dbraw/zinc/16/15/85/1097161585.db2.gz DESWWLGDERBTMF-LMCOJAPRSA-N 2 1 316.489 3.158 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172570675 1097183896 /nfs/dbraw/zinc/18/38/96/1097183896.db2.gz HRPJVTFDROXXMH-NEPJUHHUSA-N 2 1 316.823 3.481 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172606687 1097193269 /nfs/dbraw/zinc/19/32/69/1097193269.db2.gz VAEJMUSYROCKMC-AHCXZYCDSA-N 2 1 324.509 3.479 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3Cc4ccc(Cl)cc4C3)C2)CC1 ZINC001172722469 1097216511 /nfs/dbraw/zinc/21/65/11/1097216511.db2.gz WARPSEVTBRVKLQ-KRWDZBQOSA-N 2 1 304.865 3.225 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172729102 1097219607 /nfs/dbraw/zinc/21/96/07/1097219607.db2.gz PQMWXUKXASMANZ-FUHWJXTLSA-N 2 1 306.494 3.142 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172729102 1097219610 /nfs/dbraw/zinc/21/96/10/1097219610.db2.gz PQMWXUKXASMANZ-FUHWJXTLSA-N 2 1 306.494 3.142 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172729102 1097219613 /nfs/dbraw/zinc/21/96/13/1097219613.db2.gz PQMWXUKXASMANZ-FUHWJXTLSA-N 2 1 306.494 3.142 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172729102 1097219614 /nfs/dbraw/zinc/21/96/14/1097219614.db2.gz PQMWXUKXASMANZ-FUHWJXTLSA-N 2 1 306.494 3.142 20 0 DGADMP C[N@H+]1CCc2cc(OC3CC[NH+](C(C)(C)C)CC3)ccc2C1 ZINC001228943646 1097223435 /nfs/dbraw/zinc/22/34/35/1097223435.db2.gz IAMSJHSBTQNSSZ-UHFFFAOYSA-N 2 1 302.462 3.316 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001172760930 1097232449 /nfs/dbraw/zinc/23/24/49/1097232449.db2.gz BYWORHMHBZLOND-MRXNPFEDSA-N 2 1 310.482 3.057 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc2c1 ZINC001206185208 1097307310 /nfs/dbraw/zinc/30/73/10/1097307310.db2.gz LQCOLQJPJKPWRG-RTBURBONSA-N 2 1 315.436 3.167 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc2c1 ZINC001206185208 1097307315 /nfs/dbraw/zinc/30/73/15/1097307315.db2.gz LQCOLQJPJKPWRG-RTBURBONSA-N 2 1 315.436 3.167 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001173073504 1097323087 /nfs/dbraw/zinc/32/30/87/1097323087.db2.gz PELAZWVPUYXAID-LBPRGKRZSA-N 2 1 316.367 3.200 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2(c3ccccc3F)COC2)CC1 ZINC001173103539 1097329833 /nfs/dbraw/zinc/32/98/33/1097329833.db2.gz LIMGYASLVBWNEA-UHFFFAOYSA-N 2 1 320.452 3.294 20 0 DGADMP CCOC(=O)[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)[C@@H](C)CC ZINC001173106698 1097330906 /nfs/dbraw/zinc/33/09/06/1097330906.db2.gz BNIJQNTYBNFXET-ZGRYLRDCSA-N 2 1 312.498 3.207 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173111810 1097332913 /nfs/dbraw/zinc/33/29/13/1097332913.db2.gz MBAYKKXUYBWIGN-KLAILNCOSA-N 2 1 324.509 3.303 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CC1 ZINC001173111415 1097333265 /nfs/dbraw/zinc/33/32/65/1097333265.db2.gz FMICIKSUEOMCMW-OOYAMKTBSA-N 2 1 308.510 3.386 20 0 DGADMP C[NH+](C)CCc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001229658308 1097360204 /nfs/dbraw/zinc/36/02/04/1097360204.db2.gz UQDAYIXAZUQWIG-OAQYLSRUSA-N 2 1 324.468 3.444 20 0 DGADMP CC[C@H]1CC[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277162 1097409838 /nfs/dbraw/zinc/40/98/38/1097409838.db2.gz JNQXTHWMAJIHRP-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H]1CC[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)C1 ZINC001173277162 1097409841 /nfs/dbraw/zinc/40/98/41/1097409841.db2.gz JNQXTHWMAJIHRP-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)C1 ZINC001173277162 1097409845 /nfs/dbraw/zinc/40/98/45/1097409845.db2.gz JNQXTHWMAJIHRP-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@H]1CC[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)C1 ZINC001173277162 1097409848 /nfs/dbraw/zinc/40/98/48/1097409848.db2.gz JNQXTHWMAJIHRP-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP CC[C@@H]1CC[C@@H](N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)C1 ZINC001173283471 1097412936 /nfs/dbraw/zinc/41/29/36/1097412936.db2.gz LTKVCXJPMYPTEP-NVXWUHKLSA-N 2 1 302.466 3.231 20 0 DGADMP [NH3+]C1(CC2CCC2)CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173475452 1097444945 /nfs/dbraw/zinc/44/49/45/1097444945.db2.gz FKDNZTCGKRNGFA-UHFFFAOYSA-N 2 1 320.427 3.416 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001173455662 1097451871 /nfs/dbraw/zinc/45/18/71/1097451871.db2.gz SKKHUTDLMWAZSD-ZWKOTPCHSA-N 2 1 324.509 3.449 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173619662 1097472463 /nfs/dbraw/zinc/47/24/63/1097472463.db2.gz BMTZKRDLIJDHKY-WBVHZDCISA-N 2 1 310.482 3.092 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173629555 1097476517 /nfs/dbraw/zinc/47/65/17/1097476517.db2.gz AYDUTSUGJVFLEL-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173629555 1097476522 /nfs/dbraw/zinc/47/65/22/1097476522.db2.gz AYDUTSUGJVFLEL-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629805 1097477477 /nfs/dbraw/zinc/47/74/77/1097477477.db2.gz BWCSJMBHOAWTIL-VQHPVUNQSA-N 2 1 310.482 3.089 20 0 DGADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881986 1097861844 /nfs/dbraw/zinc/86/18/44/1097861844.db2.gz NFTFGNTYVNWNNB-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP COC(C)(C)C[N@H+]1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001277584287 1097887189 /nfs/dbraw/zinc/88/71/89/1097887189.db2.gz DPIYCPKBHBYXNJ-LJQANCHMSA-N 2 1 319.493 3.118 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232013597 1097917026 /nfs/dbraw/zinc/91/70/26/1097917026.db2.gz CAHWJKROIXMSEI-UHFFFAOYSA-N 3 1 300.450 3.115 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001232062912 1097929109 /nfs/dbraw/zinc/92/91/09/1097929109.db2.gz KABOJNQCANGXOX-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001232146365 1097948997 /nfs/dbraw/zinc/94/89/97/1097948997.db2.gz OGSKICQDCVXXKH-CQSZACIVSA-N 2 1 300.368 3.364 20 0 DGADMP CC[N@@H+](Cc1cccnc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147330 1097950554 /nfs/dbraw/zinc/95/05/54/1097950554.db2.gz OTXLBRMRXXSWOO-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C1CC[NH+](C)CC1 ZINC001277625320 1097958763 /nfs/dbraw/zinc/95/87/63/1097958763.db2.gz UUVJFNPLHLCNMQ-IHPCNDPISA-N 2 1 321.553 3.446 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001232310916 1097999715 /nfs/dbraw/zinc/99/97/15/1097999715.db2.gz COIJOAWCAIGQBT-UHFFFAOYSA-N 2 1 319.493 3.341 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2nccc(Cl)c12 ZINC001232457530 1098043880 /nfs/dbraw/zinc/04/38/80/1098043880.db2.gz PWVJRGODBVXBNH-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2nccc(Cl)c12 ZINC001232457530 1098043882 /nfs/dbraw/zinc/04/38/82/1098043882.db2.gz PWVJRGODBVXBNH-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@@H]21 ZINC001277695464 1098107501 /nfs/dbraw/zinc/10/75/01/1098107501.db2.gz ZBKKBFPOLXBOCF-WDSOQIARSA-N 2 1 317.477 3.187 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@@H]21 ZINC001277695464 1098107503 /nfs/dbraw/zinc/10/75/03/1098107503.db2.gz ZBKKBFPOLXBOCF-WDSOQIARSA-N 2 1 317.477 3.187 20 0 DGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703990 1098158224 /nfs/dbraw/zinc/15/82/24/1098158224.db2.gz PECCOHITNNGWJH-INIZCTEOSA-N 2 1 322.497 3.036 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(c1c[nH+]cn1C)C2 ZINC001277765760 1098233185 /nfs/dbraw/zinc/23/31/85/1098233185.db2.gz QHSAQXQIIXBMJB-BBWFWOEESA-N 2 1 304.482 3.147 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(c3c[nH+]cn3C)[C@@H]2C1 ZINC001277765968 1098233909 /nfs/dbraw/zinc/23/39/09/1098233909.db2.gz YVZNPFXARSWYQO-YESZJQIVSA-N 2 1 304.482 3.147 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C)c(O)c2)CC1 ZINC001233230720 1098258598 /nfs/dbraw/zinc/25/85/98/1098258598.db2.gz BFQGAZBHDDUJHE-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4nc(Cl)ccc4c3)C[C@H]2C1 ZINC001233446344 1098336183 /nfs/dbraw/zinc/33/61/83/1098336183.db2.gz RHQXHZVQDXUOSB-HZPDHXFCSA-N 2 1 315.848 3.272 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001277807042 1098429685 /nfs/dbraw/zinc/42/96/85/1098429685.db2.gz KKFVVQFVXNGCCY-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CNCC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001177066260 1098470120 /nfs/dbraw/zinc/47/01/20/1098470120.db2.gz OUGIPLVVHYBZQH-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+]1CCC[C@@H]1CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177066260 1098470124 /nfs/dbraw/zinc/47/01/24/1098470124.db2.gz OUGIPLVVHYBZQH-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+]1CCC[C@@H]1CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001177066260 1098470126 /nfs/dbraw/zinc/47/01/26/1098470126.db2.gz OUGIPLVVHYBZQH-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CCN1CCC[C@@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177066260 1098470132 /nfs/dbraw/zinc/47/01/32/1098470132.db2.gz OUGIPLVVHYBZQH-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CCN1CCC[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001177066260 1098470135 /nfs/dbraw/zinc/47/01/35/1098470135.db2.gz OUGIPLVVHYBZQH-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP Fc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OC(F)F ZINC001177136801 1098483352 /nfs/dbraw/zinc/48/33/52/1098483352.db2.gz XDGQCDAZWPKRKV-UHFFFAOYSA-N 2 1 316.367 3.393 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001177299563 1098506137 /nfs/dbraw/zinc/50/61/37/1098506137.db2.gz VWXLLZAKAOKVQP-INIZCTEOSA-N 2 1 321.484 3.493 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC001177298413 1098506504 /nfs/dbraw/zinc/50/65/04/1098506504.db2.gz BNTXPLJNHXXHSC-INIZCTEOSA-N 2 1 314.477 3.318 20 0 DGADMP CCOCC[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001277856242 1098554040 /nfs/dbraw/zinc/55/40/40/1098554040.db2.gz JRRIOFWNRIZNSJ-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638089 1098571854 /nfs/dbraw/zinc/57/18/54/1098571854.db2.gz SZMILLHLLHFEFY-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC001277868775 1098614916 /nfs/dbraw/zinc/61/49/16/1098614916.db2.gz CMYMAELOHZXQRE-UHFFFAOYSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001206310816 1098667406 /nfs/dbraw/zinc/66/74/06/1098667406.db2.gz CWEIDJVCJSQGJE-CYBMUJFWSA-N 2 1 317.296 3.462 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206317809 1098731665 /nfs/dbraw/zinc/73/16/65/1098731665.db2.gz ITNHQBZFCDYROC-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234979567 1098731920 /nfs/dbraw/zinc/73/19/20/1098731920.db2.gz PWJYTMCINZNRBP-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234979567 1098731930 /nfs/dbraw/zinc/73/19/30/1098731930.db2.gz PWJYTMCINZNRBP-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Clc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC001234980095 1098733947 /nfs/dbraw/zinc/73/39/47/1098733947.db2.gz HYCQAVXKVRFGEY-IYBDPMFKSA-N 2 1 313.832 3.053 20 0 DGADMP Clc1ccc2[nH]c(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC001234992508 1098735628 /nfs/dbraw/zinc/73/56/28/1098735628.db2.gz JXMACZDTXFYTDX-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC001234992508 1098735637 /nfs/dbraw/zinc/73/56/37/1098735637.db2.gz JXMACZDTXFYTDX-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP CCSCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277914383 1098737103 /nfs/dbraw/zinc/73/71/03/1098737103.db2.gz SPNQPTAUUFXUAK-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP CCSCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277914383 1098737111 /nfs/dbraw/zinc/73/71/11/1098737111.db2.gz SPNQPTAUUFXUAK-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP CCSCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277914383 1098737121 /nfs/dbraw/zinc/73/71/21/1098737121.db2.gz SPNQPTAUUFXUAK-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP CCSCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277914383 1098737130 /nfs/dbraw/zinc/73/71/30/1098737130.db2.gz SPNQPTAUUFXUAK-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001206319201 1098738524 /nfs/dbraw/zinc/73/85/24/1098738524.db2.gz ZRRRIAUPIYKATK-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2O1 ZINC001234993558 1098739293 /nfs/dbraw/zinc/73/92/93/1098739293.db2.gz QFCDPLOBYYZPLU-HXUWFJFHSA-N 2 1 314.473 3.366 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2O1 ZINC001234993558 1098739302 /nfs/dbraw/zinc/73/93/02/1098739302.db2.gz QFCDPLOBYYZPLU-HXUWFJFHSA-N 2 1 314.473 3.366 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC001234997371 1098740067 /nfs/dbraw/zinc/74/00/67/1098740067.db2.gz BRLIWBCVNDOSSD-SFHVURJKSA-N 2 1 316.470 3.485 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001235003055 1098745585 /nfs/dbraw/zinc/74/55/85/1098745585.db2.gz ZDBQPGZRXFEBAU-OAQYLSRUSA-N 2 1 323.484 3.481 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235009327 1098750922 /nfs/dbraw/zinc/75/09/22/1098750922.db2.gz ZCRKQCCUFKMRAF-RTBURBONSA-N 2 1 308.510 3.461 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235032678 1098761766 /nfs/dbraw/zinc/76/17/66/1098761766.db2.gz SSIVQSDWJCWGLQ-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP c1ccc(-c2ccccc2C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235035584 1098763183 /nfs/dbraw/zinc/76/31/83/1098763183.db2.gz FVCJFCNVIHKNPL-TZIWHRDSSA-N 2 1 322.452 3.164 20 0 DGADMP Cc1c2ccccc2sc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035091 1098763982 /nfs/dbraw/zinc/76/39/82/1098763982.db2.gz ADDSAJGLMCQLBS-GDBMZVCRSA-N 2 1 316.470 3.020 20 0 DGADMP C[N@H+]1CCC[C@]2(CCCN(CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919890 1098778798 /nfs/dbraw/zinc/77/87/98/1098778798.db2.gz QILYLHFTFCKMHK-IBGZPJMESA-N 2 1 318.436 3.206 20 0 DGADMP CN1CCC[C@]2(CCC[N@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919890 1098778808 /nfs/dbraw/zinc/77/88/08/1098778808.db2.gz QILYLHFTFCKMHK-IBGZPJMESA-N 2 1 318.436 3.206 20 0 DGADMP CN1CCC[C@]2(CCC[N@@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919890 1098778815 /nfs/dbraw/zinc/77/88/15/1098778815.db2.gz QILYLHFTFCKMHK-IBGZPJMESA-N 2 1 318.436 3.206 20 0 DGADMP FC1(F)CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235090099 1098794121 /nfs/dbraw/zinc/79/41/21/1098794121.db2.gz AQDLYRHQDZLCBK-SFHVURJKSA-N 2 1 320.427 3.386 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235101637 1098799870 /nfs/dbraw/zinc/79/98/70/1098799870.db2.gz BSOBSVMJSMBWOA-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235101637 1098799878 /nfs/dbraw/zinc/79/98/78/1098799878.db2.gz BSOBSVMJSMBWOA-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC001235103058 1098803451 /nfs/dbraw/zinc/80/34/51/1098803451.db2.gz COGTZZYDVMINBQ-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(F)cc1Cl ZINC001235104279 1098806117 /nfs/dbraw/zinc/80/61/17/1098806117.db2.gz PTOXYPNNGQDCHK-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001235110660 1098809835 /nfs/dbraw/zinc/80/98/35/1098809835.db2.gz LFYKEZPBYWMLCQ-QUCCMNQESA-N 2 1 320.521 3.482 20 0 DGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151595 1098837340 /nfs/dbraw/zinc/83/73/40/1098837340.db2.gz IFHWSRXXADCGEU-IBGZPJMESA-N 3 1 307.526 3.153 20 0 DGADMP Fc1cc(F)c(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235154569 1098839303 /nfs/dbraw/zinc/83/93/03/1098839303.db2.gz MPNROPATDNTEIO-MRXNPFEDSA-N 2 1 312.379 3.458 20 0 DGADMP CN(C)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235155694 1098841229 /nfs/dbraw/zinc/84/12/29/1098841229.db2.gz MCVXUGVESIRZJR-LJQANCHMSA-N 2 1 319.468 3.246 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Cl)n1 ZINC001235154948 1098841376 /nfs/dbraw/zinc/84/13/76/1098841376.db2.gz BTQFHAOYVGMNMJ-INIZCTEOSA-N 2 1 307.869 3.398 20 0 DGADMP COc1nccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1Cl ZINC001235158080 1098843946 /nfs/dbraw/zinc/84/39/46/1098843946.db2.gz UHXCBKVLULZJIA-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP COc1ccc(F)c(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235162401 1098846091 /nfs/dbraw/zinc/84/60/91/1098846091.db2.gz VCIYCZCYPNUGRX-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235161549 1098847145 /nfs/dbraw/zinc/84/71/45/1098847145.db2.gz SSRCJIMBAUQKAC-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187531 1098865282 /nfs/dbraw/zinc/86/52/82/1098865282.db2.gz BCQMPNBTGHOOES-HHXXYDBFSA-N 2 1 300.490 3.456 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187531 1098865287 /nfs/dbraw/zinc/86/52/87/1098865287.db2.gz BCQMPNBTGHOOES-HHXXYDBFSA-N 2 1 300.490 3.456 20 0 DGADMP CC(C)Oc1ncccc1CC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191678 1098867248 /nfs/dbraw/zinc/86/72/48/1098867248.db2.gz VJPPRWNPVVLYNH-UHFFFAOYSA-N 2 1 317.477 3.019 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190885 1098867719 /nfs/dbraw/zinc/86/77/19/1098867719.db2.gz LIAYYDDPEGQMGM-UHFFFAOYSA-N 2 1 324.415 3.439 20 0 DGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001178561993 1098872315 /nfs/dbraw/zinc/87/23/15/1098872315.db2.gz YTLHGXWNACXKQX-MSOLQXFVSA-N 2 1 309.542 3.207 20 0 DGADMP Oc1c(F)cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235226602 1098900106 /nfs/dbraw/zinc/90/01/06/1098900106.db2.gz CUUDDOQZMKYGKO-INIZCTEOSA-N 2 1 310.388 3.025 20 0 DGADMP Fc1cnc(Cl)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235229491 1098903114 /nfs/dbraw/zinc/90/31/14/1098903114.db2.gz PVGICTXPWDYGDG-HNNXBMFYSA-N 2 1 311.832 3.228 20 0 DGADMP Fc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc(F)c1F ZINC001235229330 1098903952 /nfs/dbraw/zinc/90/39/52/1098903952.db2.gz LFHFFJPXAXXVGR-INIZCTEOSA-N 2 1 312.379 3.458 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001235232822 1098906458 /nfs/dbraw/zinc/90/64/58/1098906458.db2.gz YJETVDOEQIIAKM-RDJZCZTQSA-N 2 1 320.358 3.375 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235232822 1098906463 /nfs/dbraw/zinc/90/64/63/1098906463.db2.gz YJETVDOEQIIAKM-RDJZCZTQSA-N 2 1 320.358 3.375 20 0 DGADMP COc1c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc(F)c1F ZINC001235236961 1098909089 /nfs/dbraw/zinc/90/90/89/1098909089.db2.gz IGTGRYBSHUDKJF-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP COc1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235239290 1098912079 /nfs/dbraw/zinc/91/20/79/1098912079.db2.gz JPIFOOCIMCEPAY-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccc(Br)cc1)C2 ZINC001235240974 1098913650 /nfs/dbraw/zinc/91/36/50/1098913650.db2.gz OIAPXTFBHBAAPS-GDBMZVCRSA-N 2 1 323.278 3.195 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001235241003 1098914051 /nfs/dbraw/zinc/91/40/51/1098914051.db2.gz PFRPVHPUPRTCIN-QWFCFKBJSA-N 2 1 320.521 3.467 20 0 DGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178702582 1098915987 /nfs/dbraw/zinc/91/59/87/1098915987.db2.gz ROCCKIHJTGOTEZ-SNAWJCMRSA-N 2 1 323.525 3.093 20 0 DGADMP c1sc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)nc1C1CC1 ZINC001235242392 1098916535 /nfs/dbraw/zinc/91/65/35/1098916535.db2.gz XDMSWKQCZJRAGP-HNNXBMFYSA-N 2 1 305.491 3.375 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235254315 1098925225 /nfs/dbraw/zinc/92/52/25/1098925225.db2.gz HZQGBPNYYZRMEB-ZJOUEHCJSA-N 2 1 322.452 3.496 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235263623 1098936371 /nfs/dbraw/zinc/93/63/71/1098936371.db2.gz NJLXDLXFEYYYJG-OXQOHEQNSA-N 2 1 324.424 3.368 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235263623 1098936383 /nfs/dbraw/zinc/93/63/83/1098936383.db2.gz NJLXDLXFEYYYJG-OXQOHEQNSA-N 2 1 324.424 3.368 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235271980 1098939617 /nfs/dbraw/zinc/93/96/17/1098939617.db2.gz PPNJISFFAXBARH-ZFWWWQNUSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235271980 1098939628 /nfs/dbraw/zinc/93/96/28/1098939628.db2.gz PPNJISFFAXBARH-ZFWWWQNUSA-N 2 1 314.351 3.077 20 0 DGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4F)cc3)C[C@@H]12 ZINC001235285379 1098941633 /nfs/dbraw/zinc/94/16/33/1098941633.db2.gz QYSHPQLEHDLNEY-ALXJQNPVSA-N 2 1 300.352 3.021 20 0 DGADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891577 1098961258 /nfs/dbraw/zinc/96/12/58/1098961258.db2.gz UPRCYTFMBUYYIV-BZSNNMDCSA-N 2 1 323.525 3.019 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235341540 1098965443 /nfs/dbraw/zinc/96/54/43/1098965443.db2.gz QHMUJDTVPQXWGC-QGZVFWFLSA-N 2 1 322.452 3.404 20 0 DGADMP Brc1ccccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001178916437 1098970864 /nfs/dbraw/zinc/97/08/64/1098970864.db2.gz GTKWVPFYZPXMNM-UHFFFAOYSA-N 2 1 316.202 3.387 20 0 DGADMP Cc1c[nH]c(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1C ZINC001235354772 1098974997 /nfs/dbraw/zinc/97/49/97/1098974997.db2.gz HEJVWPJAMBSUCT-UYAOXDASSA-N 2 1 309.457 3.211 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235380754 1098988050 /nfs/dbraw/zinc/98/80/50/1098988050.db2.gz KQMCJXBYPIKIQT-CTNGQTDRSA-N 2 1 321.468 3.022 20 0 DGADMP Cc1c[nH]c(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1C ZINC001235379715 1098988254 /nfs/dbraw/zinc/98/82/54/1098988254.db2.gz HEJVWPJAMBSUCT-QUCCMNQESA-N 2 1 309.457 3.211 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001235401886 1098997087 /nfs/dbraw/zinc/99/70/87/1098997087.db2.gz IFZJLAMKHTWMFC-DLBZAZTESA-N 2 1 310.844 3.296 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400875 1098997363 /nfs/dbraw/zinc/99/73/63/1098997363.db2.gz LXMKMQIAZVHZLW-RTBURBONSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400875 1098997372 /nfs/dbraw/zinc/99/73/72/1098997372.db2.gz LXMKMQIAZVHZLW-RTBURBONSA-N 2 1 320.452 3.306 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001235403720 1098999266 /nfs/dbraw/zinc/99/92/66/1098999266.db2.gz LDOSULFBYBRWTA-IAGOWNOFSA-N 2 1 321.827 3.345 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235404983 1099002135 /nfs/dbraw/zinc/00/21/35/1099002135.db2.gz OMZWLFPUWVLPAY-OALUTQOASA-N 2 1 304.453 3.376 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235407455 1099003894 /nfs/dbraw/zinc/00/38/94/1099003894.db2.gz RURXAZTUNDVBAW-IEBWSBKVSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235407455 1099003906 /nfs/dbraw/zinc/00/39/06/1099003906.db2.gz RURXAZTUNDVBAW-IEBWSBKVSA-N 2 1 320.452 3.387 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411320 1099006144 /nfs/dbraw/zinc/00/61/44/1099006144.db2.gz ZLJNJBHTLLQQJN-SJORKVTESA-N 2 1 310.844 3.480 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411320 1099006156 /nfs/dbraw/zinc/00/61/56/1099006156.db2.gz ZLJNJBHTLLQQJN-SJORKVTESA-N 2 1 310.844 3.480 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)NCCC2 ZINC001235420719 1099013441 /nfs/dbraw/zinc/01/34/41/1099013441.db2.gz AMUSPLOGDHTPJD-OALUTQOASA-N 2 1 313.489 3.256 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429510 1099021182 /nfs/dbraw/zinc/02/11/82/1099021182.db2.gz YTJNDOOELFPOJA-STQMWFEESA-N 2 1 312.379 3.316 20 0 DGADMP c1cnn(-c2ccccc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429083 1099023144 /nfs/dbraw/zinc/02/31/44/1099023144.db2.gz WTRDXVYUFOOLSS-ZWKOTPCHSA-N 2 1 324.472 3.084 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235430342 1099024877 /nfs/dbraw/zinc/02/48/77/1099024877.db2.gz WUEDHXXNJVHXEW-IAGOWNOFSA-N 2 1 320.452 3.436 20 0 DGADMP COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432325 1099027883 /nfs/dbraw/zinc/02/78/83/1099027883.db2.gz XASSGLKGNFQWSF-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235433224 1099031023 /nfs/dbraw/zinc/03/10/23/1099031023.db2.gz YBHAQQBQJJDGLS-HUUCEWRRSA-N 2 1 307.869 3.255 20 0 DGADMP COc1cncc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001235471587 1099055993 /nfs/dbraw/zinc/05/59/93/1099055993.db2.gz UGGJIJABHIBNJG-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cncc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001235471587 1099056006 /nfs/dbraw/zinc/05/60/06/1099056006.db2.gz UGGJIJABHIBNJG-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001235471587 1099056010 /nfs/dbraw/zinc/05/60/10/1099056010.db2.gz UGGJIJABHIBNJG-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1cncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1C ZINC001235471587 1099056022 /nfs/dbraw/zinc/05/60/22/1099056022.db2.gz UGGJIJABHIBNJG-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP FC1(F)Oc2ccc(CNC[C@@H]3CC[N@@H+]3C3CCCC3)cc2O1 ZINC001179314798 1099067526 /nfs/dbraw/zinc/06/75/26/1099067526.db2.gz DYEDCPLTBGEVPV-AWEZNQCLSA-N 2 1 324.371 3.115 20 0 DGADMP FC1(F)Oc2ccc(CNC[C@@H]3CC[N@H+]3C3CCCC3)cc2O1 ZINC001179314798 1099067540 /nfs/dbraw/zinc/06/75/40/1099067540.db2.gz DYEDCPLTBGEVPV-AWEZNQCLSA-N 2 1 324.371 3.115 20 0 DGADMP Cc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001235534456 1099081029 /nfs/dbraw/zinc/08/10/29/1099081029.db2.gz IEICUFYPUHSZPW-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CCCC[NH3+])C[C@@H]21 ZINC001235562065 1099085024 /nfs/dbraw/zinc/08/50/24/1099085024.db2.gz WKSCIRARSLDRKZ-BPQIPLTHSA-N 2 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562065 1099085038 /nfs/dbraw/zinc/08/50/38/1099085038.db2.gz WKSCIRARSLDRKZ-BPQIPLTHSA-N 3 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562065 1099085051 /nfs/dbraw/zinc/08/50/51/1099085051.db2.gz WKSCIRARSLDRKZ-BPQIPLTHSA-N 3 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562065 1099085062 /nfs/dbraw/zinc/08/50/62/1099085062.db2.gz WKSCIRARSLDRKZ-BPQIPLTHSA-N 2 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCCC[NH3+])C[C@@H]21 ZINC001235562065 1099085074 /nfs/dbraw/zinc/08/50/74/1099085074.db2.gz WKSCIRARSLDRKZ-BPQIPLTHSA-N 2 1 321.534 3.019 20 0 DGADMP Cc1c(C)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1Br ZINC001235675078 1099118106 /nfs/dbraw/zinc/11/81/06/1099118106.db2.gz IKMJKJFXFOFBRG-CYBMUJFWSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1c(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1Br ZINC001235675078 1099118113 /nfs/dbraw/zinc/11/81/13/1099118113.db2.gz IKMJKJFXFOFBRG-CYBMUJFWSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235688617 1099128348 /nfs/dbraw/zinc/12/83/48/1099128348.db2.gz SENWSTNFFDYUAP-IEBWSBKVSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235688838 1099128458 /nfs/dbraw/zinc/12/84/58/1099128458.db2.gz TVPDRYKEIIWOEW-IEBWSBKVSA-N 2 1 302.462 3.370 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235688533 1099128763 /nfs/dbraw/zinc/12/87/63/1099128763.db2.gz QMCQLUGNJDAADO-LJQANCHMSA-N 2 1 314.473 3.057 20 0 DGADMP C[N@@H+](Cc1cccs1)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235689838 1099130684 /nfs/dbraw/zinc/13/06/84/1099130684.db2.gz HPQWGEOPCZUWQW-UHFFFAOYSA-N 2 1 311.454 3.438 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2cccs2)CC1 ZINC001235692014 1099130777 /nfs/dbraw/zinc/13/07/77/1099130777.db2.gz MWHWBLAPMSPKRG-TZMCWYRMSA-N 2 1 314.445 3.418 20 0 DGADMP CCC[C@H]1CCCC[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235694757 1099132019 /nfs/dbraw/zinc/13/20/19/1099132019.db2.gz SQSSDMDNWWOYJX-SFHVURJKSA-N 2 1 301.478 3.251 20 0 DGADMP Fc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(F)c1F ZINC001235702362 1099136609 /nfs/dbraw/zinc/13/66/09/1099136609.db2.gz SYBQDLHDKPUGJY-UHFFFAOYSA-N 2 1 312.379 3.316 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1F ZINC001235706751 1099137571 /nfs/dbraw/zinc/13/75/71/1099137571.db2.gz XGLLKDSVLXSNEN-UHFFFAOYSA-N 2 1 324.415 3.185 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(OCC(F)F)cc1 ZINC001235712805 1099141923 /nfs/dbraw/zinc/14/19/23/1099141923.db2.gz CNCKWSWCFFBDSS-UHFFFAOYSA-N 2 1 312.404 3.152 20 0 DGADMP c1cc2c(s1)C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001235718180 1099143551 /nfs/dbraw/zinc/14/35/51/1099143551.db2.gz FRZVHTWTPUVFRH-UHFFFAOYSA-N 2 1 323.465 3.364 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235716702 1099144068 /nfs/dbraw/zinc/14/40/68/1099144068.db2.gz HBICKBOTZDBJGM-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)c1 ZINC001235716988 1099144027 /nfs/dbraw/zinc/14/40/27/1099144027.db2.gz ALGDIDNRTTVVIY-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP FC(F)(F)c1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC001235759385 1099169259 /nfs/dbraw/zinc/16/92/59/1099169259.db2.gz JNKBHJAEMJYXHC-UHFFFAOYSA-N 2 1 312.379 3.453 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235793503 1099183981 /nfs/dbraw/zinc/18/39/81/1099183981.db2.gz XZIWHSQTLSCRGB-SFHVURJKSA-N 2 1 321.896 3.018 20 0 DGADMP CC[NH+]1CCC(CN2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235793503 1099183991 /nfs/dbraw/zinc/18/39/91/1099183991.db2.gz XZIWHSQTLSCRGB-SFHVURJKSA-N 2 1 321.896 3.018 20 0 DGADMP COCCC[N@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001235808130 1099189240 /nfs/dbraw/zinc/18/92/40/1099189240.db2.gz CGWBNUXJQHLUJW-QGZVFWFLSA-N 2 1 302.418 3.023 20 0 DGADMP COCCC[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001235808130 1099189247 /nfs/dbraw/zinc/18/92/47/1099189247.db2.gz CGWBNUXJQHLUJW-QGZVFWFLSA-N 2 1 302.418 3.023 20 0 DGADMP Brc1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC001235820096 1099195465 /nfs/dbraw/zinc/19/54/65/1099195465.db2.gz YWYYSIACZRJGJN-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP COc1cccc(CC[N@@H+](C)CCC[NH2+]C2CCCCC2)c1 ZINC001235839987 1099202051 /nfs/dbraw/zinc/20/20/51/1099202051.db2.gz FAWZSOJOGNJTGO-UHFFFAOYSA-N 2 1 304.478 3.482 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792529 1099205273 /nfs/dbraw/zinc/20/52/73/1099205273.db2.gz QPSXNGGCNQWVSM-ZWKOTPCHSA-N 2 1 323.525 3.070 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001235842908 1099207453 /nfs/dbraw/zinc/20/74/53/1099207453.db2.gz UAJCOXOWNUCAAN-KRWDZBQOSA-N 2 1 310.441 3.404 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001235865381 1099227617 /nfs/dbraw/zinc/22/76/17/1099227617.db2.gz CSLAAJMUWRTASH-PKOBYXMFSA-N 2 1 313.489 3.251 20 0 DGADMP [NH3+]CCCCC[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001235883017 1099232393 /nfs/dbraw/zinc/23/23/93/1099232393.db2.gz WPAVBVDFNXUXDG-CQSZACIVSA-N 2 1 311.267 3.367 20 0 DGADMP CCOc1cc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC001235889051 1099235196 /nfs/dbraw/zinc/23/51/96/1099235196.db2.gz VLSDPPMPMXIMEU-GOSISDBHSA-N 2 1 324.415 3.328 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(Br)c1 ZINC001235892436 1099237920 /nfs/dbraw/zinc/23/79/20/1099237920.db2.gz QSBLJBROSHVNTG-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001235892436 1099237932 /nfs/dbraw/zinc/23/79/32/1099237932.db2.gz QSBLJBROSHVNTG-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001235925352 1099262180 /nfs/dbraw/zinc/26/21/80/1099262180.db2.gz IYIUTJOHJBWBGC-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001235925352 1099262189 /nfs/dbraw/zinc/26/21/89/1099262189.db2.gz IYIUTJOHJBWBGC-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(C(F)(F)F)c1 ZINC001235925918 1099263196 /nfs/dbraw/zinc/26/31/96/1099263196.db2.gz RWAQWOZDWBNRLW-LBPRGKRZSA-N 2 1 302.340 3.027 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c(C(F)(F)F)c1 ZINC001235925918 1099263199 /nfs/dbraw/zinc/26/31/99/1099263199.db2.gz RWAQWOZDWBNRLW-LBPRGKRZSA-N 2 1 302.340 3.027 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC1CC[NH+](CC)CC1 ZINC001179979266 1099263614 /nfs/dbraw/zinc/26/36/14/1099263614.db2.gz DWWGIBMHBDESIC-LJQANCHMSA-N 2 1 315.505 3.449 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235928474 1099265587 /nfs/dbraw/zinc/26/55/87/1099265587.db2.gz VMRKVUGTAKMJQR-UHFFFAOYSA-N 2 1 318.505 3.046 20 0 DGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235928474 1099265595 /nfs/dbraw/zinc/26/55/95/1099265595.db2.gz VMRKVUGTAKMJQR-UHFFFAOYSA-N 2 1 318.505 3.046 20 0 DGADMP CCCCCC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179988125 1099265919 /nfs/dbraw/zinc/26/59/19/1099265919.db2.gz ASPPJQHEOOGPEU-UHFFFAOYSA-N 2 1 313.530 3.175 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235934126 1099268195 /nfs/dbraw/zinc/26/81/95/1099268195.db2.gz BIHZCLYXRZPXLB-OLZOCXBDSA-N 2 1 316.392 3.340 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001235935467 1099269705 /nfs/dbraw/zinc/26/97/05/1099269705.db2.gz CQHBIIGPRFAQOC-QZTJIDSGSA-N 2 1 302.462 3.132 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1C(C)C ZINC001235938458 1099271967 /nfs/dbraw/zinc/27/19/67/1099271967.db2.gz KKZKASFPPAGGPI-RDJZCZTQSA-N 2 1 302.462 3.168 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235939944 1099274039 /nfs/dbraw/zinc/27/40/39/1099274039.db2.gz RHGVRJIFJGRBOK-OALUTQOASA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235940273 1099274529 /nfs/dbraw/zinc/27/45/29/1099274529.db2.gz RUUADFZXYYSARF-WOJBJXKFSA-N 2 1 322.452 3.404 20 0 DGADMP COCCC[N@@H+](Cc1cccc(Cl)c1C)C1CC[NH2+]CC1 ZINC001235939405 1099274947 /nfs/dbraw/zinc/27/49/47/1099274947.db2.gz BIIFNVMBTOWMJC-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cn2)c1C ZINC001235939471 1099275570 /nfs/dbraw/zinc/27/55/70/1099275570.db2.gz PHXITXNNJDBWEV-OALUTQOASA-N 2 1 321.468 3.407 20 0 DGADMP COc1ccc([C@H](C)[N@H+](C)C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949924 1099282766 /nfs/dbraw/zinc/28/27/66/1099282766.db2.gz KGMJIVBMWHTRMF-XEZPLFJOSA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949924 1099282775 /nfs/dbraw/zinc/28/27/75/1099282775.db2.gz KGMJIVBMWHTRMF-XEZPLFJOSA-N 2 1 312.404 3.179 20 0 DGADMP Clc1cccc([C@@H]2CC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)c1 ZINC001235950284 1099282946 /nfs/dbraw/zinc/28/29/46/1099282946.db2.gz YULNHOMKUMATAX-OAHLLOKOSA-N 2 1 315.848 3.234 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001235949842 1099283298 /nfs/dbraw/zinc/28/32/98/1099283298.db2.gz UUQJOVXHCSQIBO-RISCZKNCSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC001235949842 1099283306 /nfs/dbraw/zinc/28/33/06/1099283306.db2.gz UUQJOVXHCSQIBO-RISCZKNCSA-N 2 1 314.807 3.189 20 0 DGADMP C[N@H+](Cc1ccc(Oc2ccccc2)cc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235949944 1099283625 /nfs/dbraw/zinc/28/36/25/1099283625.db2.gz KKLJKPWNKWZKGJ-PMOLBWCYSA-N 2 1 308.425 3.376 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001235950869 1099285034 /nfs/dbraw/zinc/28/50/34/1099285034.db2.gz NZKQXLONXGMWHK-ZDUSSCGKSA-N 2 1 303.837 3.438 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957001 1099290228 /nfs/dbraw/zinc/29/02/28/1099290228.db2.gz JJHWEBFPXYYKOZ-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957001 1099290234 /nfs/dbraw/zinc/29/02/34/1099290234.db2.gz JJHWEBFPXYYKOZ-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)CO1 ZINC001235960267 1099292276 /nfs/dbraw/zinc/29/22/76/1099292276.db2.gz QQJAIRXNXLIJDU-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H](c3ccccc3)CC2)CO1 ZINC001235960267 1099292284 /nfs/dbraw/zinc/29/22/84/1099292284.db2.gz QQJAIRXNXLIJDU-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235958807 1099292559 /nfs/dbraw/zinc/29/25/59/1099292559.db2.gz JSCPEEVFCPPVIO-MIFYACCESA-N 2 1 312.379 3.307 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC001180093252 1099293523 /nfs/dbraw/zinc/29/35/23/1099293523.db2.gz QRHKBSIWUMGCKJ-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC001180093252 1099293534 /nfs/dbraw/zinc/29/35/34/1099293534.db2.gz QRHKBSIWUMGCKJ-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001180093252 1099293545 /nfs/dbraw/zinc/29/35/45/1099293545.db2.gz QRHKBSIWUMGCKJ-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001180093252 1099293551 /nfs/dbraw/zinc/29/35/51/1099293551.db2.gz QRHKBSIWUMGCKJ-LSDHHAIUSA-N 2 1 308.491 3.202 20 0 DGADMP C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC1CCCCC1 ZINC001235960813 1099293640 /nfs/dbraw/zinc/29/36/40/1099293640.db2.gz PKHDXXNLWHZMCD-UHFFFAOYSA-N 2 1 301.478 3.108 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC001180093248 1099293943 /nfs/dbraw/zinc/29/39/43/1099293943.db2.gz QRHKBSIWUMGCKJ-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC001180093248 1099293949 /nfs/dbraw/zinc/29/39/49/1099293949.db2.gz QRHKBSIWUMGCKJ-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001180093248 1099293955 /nfs/dbraw/zinc/29/39/55/1099293955.db2.gz QRHKBSIWUMGCKJ-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001180093248 1099293959 /nfs/dbraw/zinc/29/39/59/1099293959.db2.gz QRHKBSIWUMGCKJ-GJZGRUSLSA-N 2 1 308.491 3.202 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235961361 1099294538 /nfs/dbraw/zinc/29/45/38/1099294538.db2.gz AMWFQXBDDYNEHH-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP CCC(CC)[N@@H+](CC)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235963528 1099296659 /nfs/dbraw/zinc/29/66/59/1099296659.db2.gz WKQYNDTVSCAYMM-UHFFFAOYSA-N 2 1 303.494 3.102 20 0 DGADMP C[N@H+](Cc1ccccc1Oc1ccccc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235969554 1099297558 /nfs/dbraw/zinc/29/75/58/1099297558.db2.gz RJPZOBIDOFWSTN-BWTSREIZSA-N 2 1 308.425 3.376 20 0 DGADMP CCc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)nc1 ZINC001235975397 1099304716 /nfs/dbraw/zinc/30/47/16/1099304716.db2.gz VJYBGNFXWLNIJB-UHFFFAOYSA-N 2 1 321.468 3.281 20 0 DGADMP COC1(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCCCCC1 ZINC001180083030 1099305672 /nfs/dbraw/zinc/30/56/72/1099305672.db2.gz WCVDWHYPCHKVFM-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP COC1(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCCCCC1 ZINC001180083030 1099305684 /nfs/dbraw/zinc/30/56/84/1099305684.db2.gz WCVDWHYPCHKVFM-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP COC1(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCCCCC1 ZINC001180083030 1099305695 /nfs/dbraw/zinc/30/56/95/1099305695.db2.gz WCVDWHYPCHKVFM-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP CC1(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001236009348 1099333377 /nfs/dbraw/zinc/33/33/77/1099333377.db2.gz SDEKOZFDZVTWMS-KRWDZBQOSA-N 2 1 304.453 3.470 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012514 1099336486 /nfs/dbraw/zinc/33/64/86/1099336486.db2.gz NOSQKHXDOPTNOQ-CTNGQTDRSA-N 2 1 322.452 3.058 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012514 1099336498 /nfs/dbraw/zinc/33/64/98/1099336498.db2.gz NOSQKHXDOPTNOQ-CTNGQTDRSA-N 2 1 322.452 3.058 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001236067715 1099365294 /nfs/dbraw/zinc/36/52/94/1099365294.db2.gz UICSUSCFAYNQFU-MRXNPFEDSA-N 2 1 318.461 3.058 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001236067715 1099365306 /nfs/dbraw/zinc/36/53/06/1099365306.db2.gz UICSUSCFAYNQFU-MRXNPFEDSA-N 2 1 318.461 3.058 20 0 DGADMP CC/C=C\CCCCCC[NH+]1CCC([C@@H]([NH3+])C(=O)OC)CC1 ZINC001236067913 1099365443 /nfs/dbraw/zinc/36/54/43/1099365443.db2.gz RNBXEEJNBSTMGN-VGOKWCNXSA-N 2 1 310.482 3.115 20 0 DGADMP C[NH2+]CCC[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103926 1099392655 /nfs/dbraw/zinc/39/26/55/1099392655.db2.gz YAOPHYVJRJMAJY-LJQANCHMSA-N 2 1 300.446 3.193 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001236143389 1099430030 /nfs/dbraw/zinc/43/00/30/1099430030.db2.gz GBZREPAEVUXGMY-CXAGYDPISA-N 2 1 324.415 3.062 20 0 DGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001204273074 1099432427 /nfs/dbraw/zinc/43/24/27/1099432427.db2.gz WSEUDAHMAZWURJ-QFBILLFUSA-N 2 1 320.477 3.016 20 0 DGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)C1 ZINC001204273075 1099432758 /nfs/dbraw/zinc/43/27/58/1099432758.db2.gz WSEUDAHMAZWURJ-VQIMIIECSA-N 2 1 320.477 3.016 20 0 DGADMP CCC[N@@H+](Cc1ccc2c(c1)N(CC)CC2)C1CC[NH2+]CC1 ZINC001236184373 1099452114 /nfs/dbraw/zinc/45/21/14/1099452114.db2.gz JYKCNUILCSJGCU-UHFFFAOYSA-N 2 1 301.478 3.033 20 0 DGADMP c1ccc(-c2cccc(N3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC001236183332 1099453284 /nfs/dbraw/zinc/45/32/84/1099453284.db2.gz WXAHSHGSMCXYBI-GOSISDBHSA-N 2 1 321.468 3.085 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CO1 ZINC001236195064 1099457961 /nfs/dbraw/zinc/45/79/61/1099457961.db2.gz YNYUNXXPKGHQSR-KBXCAEBGSA-N 2 1 313.445 3.419 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CO1 ZINC001236195064 1099457965 /nfs/dbraw/zinc/45/79/65/1099457965.db2.gz YNYUNXXPKGHQSR-KBXCAEBGSA-N 2 1 313.445 3.419 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CCCCCO)CC1 ZINC001236210340 1099466079 /nfs/dbraw/zinc/46/60/79/1099466079.db2.gz CAMZGYPNIFDYIJ-UHFFFAOYSA-N 2 1 324.896 3.399 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CCCCCO)CC1 ZINC001236210340 1099466088 /nfs/dbraw/zinc/46/60/88/1099466088.db2.gz CAMZGYPNIFDYIJ-UHFFFAOYSA-N 2 1 324.896 3.399 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213250 1099468533 /nfs/dbraw/zinc/46/85/33/1099468533.db2.gz AQTXIUUAQZUROV-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213250 1099468534 /nfs/dbraw/zinc/46/85/34/1099468534.db2.gz AQTXIUUAQZUROV-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(Br)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236223159 1099479457 /nfs/dbraw/zinc/47/94/57/1099479457.db2.gz NQDFWMPWLCVPLN-HDJSIYSDSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236224670 1099482154 /nfs/dbraw/zinc/48/21/54/1099482154.db2.gz VCWLDDGREIBODI-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP Cc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc1Br ZINC001236226371 1099483485 /nfs/dbraw/zinc/48/34/85/1099483485.db2.gz KNRYEQAVRLPSKJ-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227035 1099483659 /nfs/dbraw/zinc/48/36/59/1099483659.db2.gz YFPADWZMOBYJMZ-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236226389 1099484230 /nfs/dbraw/zinc/48/42/30/1099484230.db2.gz KSUGZOJFJROIGE-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236226389 1099484237 /nfs/dbraw/zinc/48/42/37/1099484237.db2.gz KSUGZOJFJROIGE-UHFFFAOYSA-N 2 1 320.330 3.298 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+](C)C3(C)CC[NH2+]CC3)ccc2c1 ZINC001236227105 1099484486 /nfs/dbraw/zinc/48/44/86/1099484486.db2.gz ZXJYJHOVCDBECD-UHFFFAOYSA-N 2 1 311.473 3.480 20 0 DGADMP c1ccc(COc2cccc(C[NH+]3CCC[NH2+]CCC3)c2)cc1 ZINC001236240167 1099493748 /nfs/dbraw/zinc/49/37/48/1099493748.db2.gz LXZGRYVMJMNSKL-UHFFFAOYSA-N 2 1 310.441 3.451 20 0 DGADMP Cc1ccc(C[N@@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)cc1C ZINC001236240860 1099495654 /nfs/dbraw/zinc/49/56/54/1099495654.db2.gz NGLUSXRYPSGNDI-UHFFFAOYSA-N 2 1 323.484 3.345 20 0 DGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236253677 1099503572 /nfs/dbraw/zinc/50/35/72/1099503572.db2.gz YDQWSIULTVZFOF-LJQANCHMSA-N 2 1 324.424 3.063 20 0 DGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236253677 1099503583 /nfs/dbraw/zinc/50/35/83/1099503583.db2.gz YDQWSIULTVZFOF-LJQANCHMSA-N 2 1 324.424 3.063 20 0 DGADMP C[C@@H](O)C[N@@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001180769304 1099504141 /nfs/dbraw/zinc/50/41/41/1099504141.db2.gz YHYXKMAREUUPHQ-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP CCOC(=O)C[N@H+](CCCCCC[NH3+])[C@H](C)c1ccccc1 ZINC001236265698 1099508395 /nfs/dbraw/zinc/50/83/95/1099508395.db2.gz KEDZMMIQEKVPAS-MRXNPFEDSA-N 2 1 306.450 3.132 20 0 DGADMP CCOC(=O)C[N@@H+](CCCCCC[NH3+])[C@H](C)c1ccccc1 ZINC001236265698 1099508405 /nfs/dbraw/zinc/50/84/05/1099508405.db2.gz KEDZMMIQEKVPAS-MRXNPFEDSA-N 2 1 306.450 3.132 20 0 DGADMP COc1ccc(CC[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236271272 1099513334 /nfs/dbraw/zinc/51/33/34/1099513334.db2.gz ZYEPYRBHTUOPIJ-HXUWFJFHSA-N 2 1 324.468 3.492 20 0 DGADMP COc1ccc(CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236271272 1099513339 /nfs/dbraw/zinc/51/33/39/1099513339.db2.gz ZYEPYRBHTUOPIJ-HXUWFJFHSA-N 2 1 324.468 3.492 20 0 DGADMP c1ccc(C[N@H+](CCOc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236286449 1099519256 /nfs/dbraw/zinc/51/92/56/1099519256.db2.gz KOUMZYWQUGDMRG-UHFFFAOYSA-N 2 1 310.441 3.320 20 0 DGADMP Clc1ccccc1[C@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236314241 1099528809 /nfs/dbraw/zinc/52/88/09/1099528809.db2.gz IXUMNVRRUAERAI-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236314241 1099528821 /nfs/dbraw/zinc/52/88/21/1099528821.db2.gz IXUMNVRRUAERAI-WMLDXEAASA-N 2 1 308.853 3.103 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Br ZINC001236321094 1099533397 /nfs/dbraw/zinc/53/33/97/1099533397.db2.gz VOJXWZVWXLLIMF-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321300 1099534508 /nfs/dbraw/zinc/53/45/08/1099534508.db2.gz PKKLOZBCKUCIAN-CALCHBBNSA-N 2 1 302.462 3.295 20 0 DGADMP COc1ccc2sc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2c1 ZINC001236320452 1099534788 /nfs/dbraw/zinc/53/47/88/1099534788.db2.gz HDGRCEQCXOVARE-OKILXGFUSA-N 2 1 316.470 3.341 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321808 1099535683 /nfs/dbraw/zinc/53/56/83/1099535683.db2.gz XBOFYAIJYGKKBN-HDICACEKSA-N 2 1 310.441 3.280 20 0 DGADMP Cc1ccc(C[NH+]2CCOCC2)cc1-c1cccc2c1CC[NH2+]C2 ZINC001236361087 1099552592 /nfs/dbraw/zinc/55/25/92/1099552592.db2.gz UCOYQJXICZTGJT-UHFFFAOYSA-N 2 1 322.452 3.140 20 0 DGADMP Nc1ccc(Cl)nc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374179 1099559668 /nfs/dbraw/zinc/55/96/68/1099559668.db2.gz BZMRDGMWIUWQMH-ZDUSSCGKSA-N 2 1 322.884 3.061 20 0 DGADMP c1ccc2[nH]c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236374058 1099562141 /nfs/dbraw/zinc/56/21/41/1099562141.db2.gz OPISDPYYXJUXMT-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc2[nH]c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236374058 1099562152 /nfs/dbraw/zinc/56/21/52/1099562152.db2.gz OPISDPYYXJUXMT-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cnc1C ZINC001236376267 1099564529 /nfs/dbraw/zinc/56/45/29/1099564529.db2.gz PWTKBCAWVGCLOQ-QGZVFWFLSA-N 2 1 301.478 3.443 20 0 DGADMP CCc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)n1 ZINC001236376527 1099564935 /nfs/dbraw/zinc/56/49/35/1099564935.db2.gz SZOKMTUEZCFIHZ-INIZCTEOSA-N 2 1 301.478 3.388 20 0 DGADMP Fc1ccc(C[N@H+](Cc2ccco2)CC2CC[NH2+]CC2)cc1 ZINC001236381822 1099567256 /nfs/dbraw/zinc/56/72/56/1099567256.db2.gz NDWJJCSJHMKQQS-UHFFFAOYSA-N 2 1 302.393 3.421 20 0 DGADMP CC[N@H+](Cc1ccc(Br)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236407106 1099579071 /nfs/dbraw/zinc/57/90/71/1099579071.db2.gz BVSBNJVFHVHYNZ-AWEZNQCLSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236407865 1099582736 /nfs/dbraw/zinc/58/27/36/1099582736.db2.gz IXQJYBXORZQHKW-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236409844 1099584377 /nfs/dbraw/zinc/58/43/77/1099584377.db2.gz XQYAOXWEAWAXTK-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411629 1099585797 /nfs/dbraw/zinc/58/57/97/1099585797.db2.gz OIGRENOALSIAKM-DZFIZOCASA-N 2 1 314.379 3.281 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC001236413014 1099587619 /nfs/dbraw/zinc/58/76/19/1099587619.db2.gz MSGNONHBHPTYLY-VQFNDLOPSA-N 2 1 314.454 3.073 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC001236413014 1099587628 /nfs/dbraw/zinc/58/76/28/1099587628.db2.gz MSGNONHBHPTYLY-VQFNDLOPSA-N 2 1 314.454 3.073 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1ccccc1 ZINC001236415298 1099589547 /nfs/dbraw/zinc/58/95/47/1099589547.db2.gz SKJVLHQLNASZKN-KXTWHKPSSA-N 2 1 322.452 3.224 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1ccccc1 ZINC001236415298 1099589561 /nfs/dbraw/zinc/58/95/61/1099589561.db2.gz SKJVLHQLNASZKN-KXTWHKPSSA-N 2 1 322.452 3.224 20 0 DGADMP c1cc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)cc2c1C[NH2+]C2 ZINC001236434340 1099610667 /nfs/dbraw/zinc/61/06/67/1099610667.db2.gz OUSMQFYVOLRTHG-LJQANCHMSA-N 2 1 300.446 3.071 20 0 DGADMP Cc1cc(F)cc(C[N@H+](C[C@H]2CCCCO2)C2CC[NH2+]CC2)c1 ZINC001236481588 1099638377 /nfs/dbraw/zinc/63/83/77/1099638377.db2.gz XIVUXAXVUNOHIH-LJQANCHMSA-N 2 1 320.452 3.257 20 0 DGADMP Cc1cc(F)cc(C[N@@H+](C[C@H]2CCCCO2)C2CC[NH2+]CC2)c1 ZINC001236481588 1099638380 /nfs/dbraw/zinc/63/83/80/1099638380.db2.gz XIVUXAXVUNOHIH-LJQANCHMSA-N 2 1 320.452 3.257 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)CCO3)CC2CCC2)CC1 ZINC001236541484 1099672902 /nfs/dbraw/zinc/67/29/02/1099672902.db2.gz LLWZPLQQVRRUCD-WGSAOQKQSA-N 2 1 314.473 3.494 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)NCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554767 1099677549 /nfs/dbraw/zinc/67/75/49/1099677549.db2.gz UVAFYZQBYJWRFO-IYARVYRRSA-N 2 1 301.478 3.383 20 0 DGADMP CC1(C)N[C@@H](CC[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001236565269 1099680950 /nfs/dbraw/zinc/68/09/50/1099680950.db2.gz BXJWOZHFVAUEFU-BQFCYCMXSA-N 2 1 323.525 3.006 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001236565269 1099680956 /nfs/dbraw/zinc/68/09/56/1099680956.db2.gz BXJWOZHFVAUEFU-BQFCYCMXSA-N 3 1 323.525 3.006 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001236565269 1099680965 /nfs/dbraw/zinc/68/09/65/1099680965.db2.gz BXJWOZHFVAUEFU-BQFCYCMXSA-N 3 1 323.525 3.006 20 0 DGADMP CCCOc1ncccc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571815 1099684913 /nfs/dbraw/zinc/68/49/13/1099684913.db2.gz DRRGRLDZIVVXQC-SAABIXHNSA-N 2 1 317.477 3.495 20 0 DGADMP Fc1cccc2[nH]cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c21 ZINC001236600068 1099696915 /nfs/dbraw/zinc/69/69/15/1099696915.db2.gz YKBQXIHOTSYGOZ-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP c1cc(O[C@H]2CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)ccn1 ZINC001236615434 1099704396 /nfs/dbraw/zinc/70/43/96/1099704396.db2.gz HVRCGGFGERONBH-IBGZPJMESA-N 2 1 317.477 3.237 20 0 DGADMP c1cc(O[C@H]2CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)ccn1 ZINC001236615434 1099704402 /nfs/dbraw/zinc/70/44/02/1099704402.db2.gz HVRCGGFGERONBH-IBGZPJMESA-N 2 1 317.477 3.237 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636643 1099715990 /nfs/dbraw/zinc/71/59/90/1099715990.db2.gz GWPIGMZXWZTCNT-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636643 1099716000 /nfs/dbraw/zinc/71/60/00/1099716000.db2.gz GWPIGMZXWZTCNT-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP COc1c(C)c[nH+]c(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c1C ZINC001236665510 1099733195 /nfs/dbraw/zinc/73/31/95/1099733195.db2.gz XNVIEAGXCQIVRH-QGZVFWFLSA-N 2 1 317.477 3.204 20 0 DGADMP N[C@H](C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236681563 1099739597 /nfs/dbraw/zinc/73/95/97/1099739597.db2.gz FHQRBLLHXRZBQH-NJDAHSKKSA-N 2 1 323.484 3.459 20 0 DGADMP CC1(C)OC[C@H](C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)O1 ZINC001236754086 1099771860 /nfs/dbraw/zinc/77/18/60/1099771860.db2.gz BZPSTVPQIYWRDT-BZSNNMDCSA-N 2 1 324.509 3.290 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2nonc2c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768456 1099776098 /nfs/dbraw/zinc/77/60/98/1099776098.db2.gz UPDVDRHVJCFGFB-SHTZXODSSA-N 2 1 316.449 3.341 20 0 DGADMP CCC[N@H+](Cc1ccc(Br)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835715 1099823400 /nfs/dbraw/zinc/82/34/00/1099823400.db2.gz PMNSIPOHSJKRAS-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236817226 1099806688 /nfs/dbraw/zinc/80/66/88/1099806688.db2.gz AKODBMBVAAAZNN-NWANDNLSSA-N 2 1 314.351 3.063 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236831965 1099816685 /nfs/dbraw/zinc/81/66/85/1099816685.db2.gz SKCYWPRRCROAJG-BPUTZDHNSA-N 2 1 323.278 3.181 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236831965 1099816699 /nfs/dbraw/zinc/81/66/99/1099816699.db2.gz SKCYWPRRCROAJG-BPUTZDHNSA-N 2 1 323.278 3.181 20 0 DGADMP CCOc1cncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001236837831 1099823327 /nfs/dbraw/zinc/82/33/27/1099823327.db2.gz GYFVRRFMCYCXRY-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP CCC[N@H+](Cc1cc(F)cc(N2CCCC2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844738 1099829410 /nfs/dbraw/zinc/82/94/10/1099829410.db2.gz UXVRLABJPNYILK-MRXNPFEDSA-N 2 1 319.468 3.247 20 0 DGADMP CCC[N@H+](Cc1cnc(OC)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236843457 1099829894 /nfs/dbraw/zinc/82/98/94/1099829894.db2.gz ONRQWTNVWGKAMD-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP CCC[N@@H+](Cc1cc(F)c(F)cc1OCC)C[C@H]1CC[NH2+]C1 ZINC001236844321 1099829922 /nfs/dbraw/zinc/82/99/22/1099829922.db2.gz SXAXKAUWVAHGMJ-ZDUSSCGKSA-N 2 1 312.404 3.185 20 0 DGADMP CCC[N@H+](Cc1cc(F)c(F)cc1OCC)C[C@H]1CC[NH2+]C1 ZINC001236844321 1099829933 /nfs/dbraw/zinc/82/99/33/1099829933.db2.gz SXAXKAUWVAHGMJ-ZDUSSCGKSA-N 2 1 312.404 3.185 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001236847565 1099831476 /nfs/dbraw/zinc/83/14/76/1099831476.db2.gz JWKCGTWTAMFNFQ-UHFFFAOYSA-N 2 1 315.505 3.029 20 0 DGADMP CCCC[NH+]1CCC(N(C)Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001236847565 1099831485 /nfs/dbraw/zinc/83/14/85/1099831485.db2.gz JWKCGTWTAMFNFQ-UHFFFAOYSA-N 2 1 315.505 3.029 20 0 DGADMP CCC[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)CC1CC1 ZINC001236889131 1099853377 /nfs/dbraw/zinc/85/33/77/1099853377.db2.gz YFIRNTKTZAHUEL-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@]1(C)O ZINC001236913003 1099872976 /nfs/dbraw/zinc/87/29/76/1099872976.db2.gz GMFMKFLHLTWVDM-CXAGYDPISA-N 2 1 319.836 3.119 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001236918105 1099877717 /nfs/dbraw/zinc/87/77/17/1099877717.db2.gz XJZKJPFABUAOAK-WMLDXEAASA-N 2 1 317.820 3.137 20 0 DGADMP CN(C)CC1(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)CCCC1 ZINC001236949746 1099888334 /nfs/dbraw/zinc/88/83/34/1099888334.db2.gz YIGWVNLOVDTENJ-UHFFFAOYSA-N 2 1 321.553 3.210 20 0 DGADMP CN1CCN(c2cc(C[N@@H+](C)C[C@@H]3CC3(C)C)ccc2F)CC1 ZINC001236975376 1099897894 /nfs/dbraw/zinc/89/78/94/1099897894.db2.gz YPQYWTJPHGZNFJ-INIZCTEOSA-N 2 1 319.468 3.055 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)C[C@@H]1CC1(C)C ZINC001236975376 1099897901 /nfs/dbraw/zinc/89/79/01/1099897901.db2.gz YPQYWTJPHGZNFJ-INIZCTEOSA-N 2 1 319.468 3.055 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)C[C@@H]1CC1(C)C ZINC001236975376 1099897911 /nfs/dbraw/zinc/89/79/11/1099897911.db2.gz YPQYWTJPHGZNFJ-INIZCTEOSA-N 2 1 319.468 3.055 20 0 DGADMP C[NH+](C)CCCN1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278048722 1099955301 /nfs/dbraw/zinc/95/53/01/1099955301.db2.gz AXXRQCABFXUZBP-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(CCC[NH+](C)C)C2 ZINC001278049845 1099958730 /nfs/dbraw/zinc/95/87/30/1099958730.db2.gz STRWMSMENLXCIR-QRVBRYPASA-N 2 1 309.542 3.161 20 0 DGADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237144093 1099991512 /nfs/dbraw/zinc/99/15/12/1099991512.db2.gz IXUTWLYDQMKOOU-FQEVSTJZSA-N 2 1 314.473 3.299 20 0 DGADMP c1cc(C2CCCCC2)ccc1CN1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237144093 1099991518 /nfs/dbraw/zinc/99/15/18/1099991518.db2.gz IXUTWLYDQMKOOU-FQEVSTJZSA-N 2 1 314.473 3.299 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152102 1100000688 /nfs/dbraw/zinc/00/06/88/1100000688.db2.gz JRMJSNKVGMTQEW-SFHVURJKSA-N 2 1 315.848 3.416 20 0 DGADMP c1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001237155225 1100003787 /nfs/dbraw/zinc/00/37/87/1100003787.db2.gz HJPXYSWLSJGEBI-FQEVSTJZSA-N 2 1 313.489 3.393 20 0 DGADMP c1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001237155225 1100003795 /nfs/dbraw/zinc/00/37/95/1100003795.db2.gz HJPXYSWLSJGEBI-FQEVSTJZSA-N 2 1 313.489 3.393 20 0 DGADMP C[C@@H]1C(=O)CC[N@H+](Cc2cc3c(s2)C[NH2+]CC3)C12CCCC2 ZINC001237190743 1100025691 /nfs/dbraw/zinc/02/56/91/1100025691.db2.gz IEGIMOIJUHLKPA-CYBMUJFWSA-N 2 1 318.486 3.118 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C12CCCC2 ZINC001237190743 1100025697 /nfs/dbraw/zinc/02/56/97/1100025697.db2.gz IEGIMOIJUHLKPA-CYBMUJFWSA-N 2 1 318.486 3.118 20 0 DGADMP Brc1ccc(C2=CC[N@@H+](CCC3C[NH2+]C3)CC2)cc1 ZINC001237203548 1100032323 /nfs/dbraw/zinc/03/23/23/1100032323.db2.gz FOASYRJYOJGGBD-UHFFFAOYSA-N 2 1 321.262 3.148 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384331 1100102892 /nfs/dbraw/zinc/10/28/92/1100102892.db2.gz VTZHQKPHXXFSBL-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384331 1100102893 /nfs/dbraw/zinc/10/28/93/1100102893.db2.gz VTZHQKPHXXFSBL-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237383908 1100103070 /nfs/dbraw/zinc/10/30/70/1100103070.db2.gz SNQHPIIFZGXZHZ-ICSRJNTNSA-N 2 1 310.441 3.422 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237383909 1100103799 /nfs/dbraw/zinc/10/37/99/1100103799.db2.gz SNQHPIIFZGXZHZ-QUCCMNQESA-N 2 1 310.441 3.422 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(-c2ccncc2)c1 ZINC001237393412 1100106681 /nfs/dbraw/zinc/10/66/81/1100106681.db2.gz SDZJSCKTBUIHQI-UXHICEINSA-N 2 1 307.441 3.323 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(-c2ccncc2)c1 ZINC001237393418 1100107495 /nfs/dbraw/zinc/10/74/95/1100107495.db2.gz SDZJSCKTBUIHQI-WOJBJXKFSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237401210 1100110535 /nfs/dbraw/zinc/11/05/35/1100110535.db2.gz BZZHHKNBAJJYNF-UYAOXDASSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412900 1100117103 /nfs/dbraw/zinc/11/71/03/1100117103.db2.gz HWOLNDOMAHUHQV-UYAOXDASSA-N 2 1 307.441 3.323 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237414613 1100117702 /nfs/dbraw/zinc/11/77/02/1100117702.db2.gz MPRYRABTTZRKNL-ROUUACIJSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237414613 1100117706 /nfs/dbraw/zinc/11/77/06/1100117706.db2.gz MPRYRABTTZRKNL-ROUUACIJSA-N 2 1 302.462 3.356 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2n1 ZINC001237418930 1100121511 /nfs/dbraw/zinc/12/15/11/1100121511.db2.gz YSXCMCKLKUHXSS-HOTGVXAUSA-N 2 1 315.848 3.462 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2n1 ZINC001237418930 1100121517 /nfs/dbraw/zinc/12/15/17/1100121517.db2.gz YSXCMCKLKUHXSS-HOTGVXAUSA-N 2 1 315.848 3.462 20 0 DGADMP COc1ccc2sc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237417749 1100121531 /nfs/dbraw/zinc/12/15/31/1100121531.db2.gz UVYQDODRHDUDNX-GUYCJALGSA-N 2 1 316.470 3.484 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237417749 1100121536 /nfs/dbraw/zinc/12/15/36/1100121536.db2.gz UVYQDODRHDUDNX-GUYCJALGSA-N 2 1 316.470 3.484 20 0 DGADMP C[N@H+](Cc1ccc2ncnc(Cl)c2c1)CC1CC[NH+](C)CC1 ZINC001237585909 1100179848 /nfs/dbraw/zinc/17/98/48/1100179848.db2.gz RUYINAGGGYLGRB-UHFFFAOYSA-N 2 1 318.852 3.057 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@H]3CCCOC3)cc21 ZINC001237879287 1100278407 /nfs/dbraw/zinc/27/84/07/1100278407.db2.gz KXCKCHMPFQYKHU-KRWDZBQOSA-N 2 1 300.446 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](C)[C@@H](O)CC3)cc21 ZINC001237880687 1100279745 /nfs/dbraw/zinc/27/97/45/1100279745.db2.gz IPRVZVGVCYAFCK-KXBFYZLASA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)cc21 ZINC001237886382 1100282258 /nfs/dbraw/zinc/28/22/58/1100282258.db2.gz NDGSXJJVIVZIOB-NNZMDNLPSA-N 2 1 300.421 3.335 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc21 ZINC001237887193 1100282932 /nfs/dbraw/zinc/28/29/32/1100282932.db2.gz SFZUPNYFBORCGK-JVSBHGNQSA-N 2 1 324.468 3.297 20 0 DGADMP CCOc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C ZINC001238067176 1100349232 /nfs/dbraw/zinc/34/92/32/1100349232.db2.gz GLAPJMCONDCXBY-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)cc1Cl ZINC001205545323 1100363315 /nfs/dbraw/zinc/36/33/15/1100363315.db2.gz DCELTDQZUIURBF-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cnc1OC(C)C ZINC001238380219 1100429564 /nfs/dbraw/zinc/42/95/64/1100429564.db2.gz CJOIWJOMYWFQDB-UHFFFAOYSA-N 2 1 317.477 3.095 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001238431222 1100442369 /nfs/dbraw/zinc/44/23/69/1100442369.db2.gz XOZFZZGNYOZHDQ-UHFFFAOYSA-N 2 1 306.425 3.141 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001191446145 1100469130 /nfs/dbraw/zinc/46/91/30/1100469130.db2.gz ZPFFDWGDJRGQTG-RBUKOAKNSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001191446145 1100469132 /nfs/dbraw/zinc/46/91/32/1100469132.db2.gz ZPFFDWGDJRGQTG-RBUKOAKNSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001191446145 1100469133 /nfs/dbraw/zinc/46/91/33/1100469133.db2.gz ZPFFDWGDJRGQTG-RBUKOAKNSA-N 2 1 320.521 3.390 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCc3nccn3CC2)c1 ZINC001238623940 1100486292 /nfs/dbraw/zinc/48/62/92/1100486292.db2.gz GLCBQEKBAQCZMQ-UHFFFAOYSA-N 2 1 318.424 3.312 20 0 DGADMP Cc1cnc(-c2ccccc2)c(CN2CCc3nccn3CC2)c1 ZINC001238623940 1100486296 /nfs/dbraw/zinc/48/62/96/1100486296.db2.gz GLCBQEKBAQCZMQ-UHFFFAOYSA-N 2 1 318.424 3.312 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238697894 1100504844 /nfs/dbraw/zinc/50/48/44/1100504844.db2.gz UBCXWYUXTAHQFG-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cn1 ZINC001205591438 1100605187 /nfs/dbraw/zinc/60/51/87/1100605187.db2.gz MWMAWMJXGMLHPS-AWEZNQCLSA-N 2 1 319.346 3.062 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(-c3cncc(C[NH3+])c3)c(C)c2)CC1 ZINC001239791031 1100757063 /nfs/dbraw/zinc/75/70/63/1100757063.db2.gz GEMDKOZXDVEMTM-UHFFFAOYSA-N 2 1 308.429 3.020 20 0 DGADMP CC[C@@H](C)[C@@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001194250702 1100902963 /nfs/dbraw/zinc/90/29/63/1100902963.db2.gz IYFXPYPRLBLAMM-RTBURBONSA-N 2 1 317.521 3.171 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3cccc4c3CC[C@H]4[NH3+])c2)CC1 ZINC001240300276 1100931277 /nfs/dbraw/zinc/93/12/77/1100931277.db2.gz ZKAYSVDCUWCBLI-OAQYLSRUSA-N 2 1 321.468 3.047 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3cccc4c3CC[C@@H]4[NH3+])c2)CC1 ZINC001240300270 1100931713 /nfs/dbraw/zinc/93/17/13/1100931713.db2.gz ZKAYSVDCUWCBLI-NRFANRHFSA-N 2 1 321.468 3.047 20 0 DGADMP C[C@H]([NH3+])c1cccc(-c2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001240299038 1100932102 /nfs/dbraw/zinc/93/21/02/1100932102.db2.gz LJWJRSILMRBFKI-INIZCTEOSA-N 2 1 309.457 3.121 20 0 DGADMP Nc1[nH]c2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001240388496 1100973204 /nfs/dbraw/zinc/97/32/04/1100973204.db2.gz MTWHAIKXPAIJAF-UHFFFAOYSA-N 2 1 304.397 3.434 20 0 DGADMP Nc1[nH]c2cc(C3=CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001240388496 1100973209 /nfs/dbraw/zinc/97/32/09/1100973209.db2.gz MTWHAIKXPAIJAF-UHFFFAOYSA-N 2 1 304.397 3.434 20 0 DGADMP Nc1[nH]c2cc(C3=CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001240388496 1100973214 /nfs/dbraw/zinc/97/32/14/1100973214.db2.gz MTWHAIKXPAIJAF-UHFFFAOYSA-N 2 1 304.397 3.434 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001195248533 1101105604 /nfs/dbraw/zinc/10/56/04/1101105604.db2.gz ASSLFFHONMDOJL-HOTGVXAUSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001195248533 1101105605 /nfs/dbraw/zinc/10/56/05/1101105605.db2.gz ASSLFFHONMDOJL-HOTGVXAUSA-N 2 1 312.498 3.018 20 0 DGADMP Fc1cc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1F ZINC001241110652 1101257519 /nfs/dbraw/zinc/25/75/19/1101257519.db2.gz YXFWHLYPKFKXKH-UHFFFAOYSA-N 2 1 303.287 3.105 20 0 DGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC001196631426 1101354506 /nfs/dbraw/zinc/35/45/06/1101354506.db2.gz FBGYCUOZLKUOQD-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC001196631426 1101354523 /nfs/dbraw/zinc/35/45/23/1101354523.db2.gz FBGYCUOZLKUOQD-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CCCCC1 ZINC001197376163 1101560160 /nfs/dbraw/zinc/56/01/60/1101560160.db2.gz ALLMOCWOMVRSOS-VQIMIIECSA-N 2 1 317.477 3.187 20 0 DGADMP Cc1[nH]nc2cc(-c3ccccc3C[NH+]3CCC([NH3+])CC3)ccc12 ZINC001241640886 1101600680 /nfs/dbraw/zinc/60/06/80/1101600680.db2.gz DRSNJFKOKGGGKS-UHFFFAOYSA-N 2 1 320.440 3.461 20 0 DGADMP CC(C)([NH3+])c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001241818321 1101724886 /nfs/dbraw/zinc/72/48/86/1101724886.db2.gz NYFKEYHAMGNHBD-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP C[NH+](C)/C=C/c1ccncc1-c1ccccc1C[NH+]1CCOCC1 ZINC001242000055 1101849576 /nfs/dbraw/zinc/84/95/76/1101849576.db2.gz NJUVGPLMWQQUAM-CSKARUKUSA-N 2 1 323.440 3.113 20 0 DGADMP c1cc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)cc2c1C[NH2+]C2 ZINC001242674608 1102279684 /nfs/dbraw/zinc/27/96/84/1102279684.db2.gz RBIFFKBUZZNVTR-GOSISDBHSA-N 2 1 321.449 3.416 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001205901286 1102399707 /nfs/dbraw/zinc/39/97/07/1102399707.db2.gz CHLYFFPRUJCZTC-WCQYABFASA-N 2 1 302.340 3.144 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001205904603 1102463057 /nfs/dbraw/zinc/46/30/57/1102463057.db2.gz WCABXUJDMPPCLR-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904907 1102466135 /nfs/dbraw/zinc/46/61/35/1102466135.db2.gz YHVBTWWUURMURG-IRXDYDNUSA-N 2 1 312.498 3.339 20 0 DGADMP CCCCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044387 1102481153 /nfs/dbraw/zinc/48/11/53/1102481153.db2.gz VDCYTOGEGDRNHB-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP Clc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(Cl)n1 ZINC001243085052 1102516315 /nfs/dbraw/zinc/51/63/15/1102516315.db2.gz FPVFTGQKOBLJTK-UHFFFAOYSA-N 2 1 319.195 3.390 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CC3CCCCC3)C2)C1 ZINC001201388657 1102577116 /nfs/dbraw/zinc/57/71/16/1102577116.db2.gz DBESCIDQAAONKS-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CC3CCCCC3)C2)C1 ZINC001201388657 1102577124 /nfs/dbraw/zinc/57/71/24/1102577124.db2.gz DBESCIDQAAONKS-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001201388657 1102577129 /nfs/dbraw/zinc/57/71/29/1102577129.db2.gz DBESCIDQAAONKS-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001201388657 1102577135 /nfs/dbraw/zinc/57/71/35/1102577135.db2.gz DBESCIDQAAONKS-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916642 1102580923 /nfs/dbraw/zinc/58/09/23/1102580923.db2.gz VJFPSALEBRWNCF-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001205916642 1102580925 /nfs/dbraw/zinc/58/09/25/1102580925.db2.gz VJFPSALEBRWNCF-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP CC(C)(C)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001201434455 1102600257 /nfs/dbraw/zinc/60/02/57/1102600257.db2.gz JPORMJGHCRPLSJ-UHFFFAOYSA-N 2 1 322.518 3.461 20 0 DGADMP CC(C)(C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201434455 1102600262 /nfs/dbraw/zinc/60/02/62/1102600262.db2.gz JPORMJGHCRPLSJ-UHFFFAOYSA-N 2 1 322.518 3.461 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201505087 1102615947 /nfs/dbraw/zinc/61/59/47/1102615947.db2.gz YBDCFDCLRAHHOG-SJORKVTESA-N 2 1 320.477 3.381 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201543644 1102631217 /nfs/dbraw/zinc/63/12/17/1102631217.db2.gz IZHIDKVFQXIXAJ-QGZVFWFLSA-N 2 1 318.509 3.287 20 0 DGADMP CCC[C@H](C)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001201543363 1102631407 /nfs/dbraw/zinc/63/14/07/1102631407.db2.gz FFYCHJSWLBGOAD-KRWDZBQOSA-N 2 1 318.509 3.163 20 0 DGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CC(CC)CC)CC2)CC1 ZINC001201523486 1102643145 /nfs/dbraw/zinc/64/31/45/1102643145.db2.gz OCMMYBHAYYRXTR-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP CCCCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201747088 1102711985 /nfs/dbraw/zinc/71/19/85/1102711985.db2.gz UPAVYTCKOGYFPF-QGZVFWFLSA-N 2 1 324.509 3.306 20 0 DGADMP FC(F)(F)CCN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202320245 1102941631 /nfs/dbraw/zinc/94/16/31/1102941631.db2.gz YVHNOQWTBLVXFZ-TXEJJXNPSA-N 2 1 304.381 3.064 20 0 DGADMP FC(F)(F)CC[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001202320245 1102941632 /nfs/dbraw/zinc/94/16/32/1102941632.db2.gz YVHNOQWTBLVXFZ-TXEJJXNPSA-N 2 1 304.381 3.064 20 0 DGADMP FC(F)(F)CC[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001202320245 1102941633 /nfs/dbraw/zinc/94/16/33/1102941633.db2.gz YVHNOQWTBLVXFZ-TXEJJXNPSA-N 2 1 304.381 3.064 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC001325743424 1103114934 /nfs/dbraw/zinc/11/49/34/1103114934.db2.gz NAQYQUOLVBSSML-ZJUUUORDSA-N 2 1 303.219 3.237 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)C1 ZINC001325968364 1103172863 /nfs/dbraw/zinc/17/28/63/1103172863.db2.gz GMCQNRKFUXOCGS-OAHLLOKOSA-N 2 1 317.477 3.245 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CC/C=C\c2cncc(OC)c2)CC1 ZINC001326004127 1103180823 /nfs/dbraw/zinc/18/08/23/1103180823.db2.gz BICXLTILYRYEQU-VURMDHGXSA-N 2 1 317.477 3.300 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001326230438 1103240079 /nfs/dbraw/zinc/24/00/79/1103240079.db2.gz CMWJYFKWTPZTNH-OAHLLOKOSA-N 2 1 324.538 3.247 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001326230438 1103240091 /nfs/dbraw/zinc/24/00/91/1103240091.db2.gz CMWJYFKWTPZTNH-OAHLLOKOSA-N 2 1 324.538 3.247 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001326236401 1103242725 /nfs/dbraw/zinc/24/27/25/1103242725.db2.gz HXARMRJEUKVFMN-JKSUJKDBSA-N 2 1 308.416 3.219 20 0 DGADMP c1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)noc1-c1ccccc1 ZINC001326311418 1103266543 /nfs/dbraw/zinc/26/65/43/1103266543.db2.gz VZUAAHBFSIFACD-UHFFFAOYSA-N 2 1 311.429 3.307 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C1 ZINC001276334660 1103507266 /nfs/dbraw/zinc/50/72/66/1103507266.db2.gz CWKWFAOWQUWYCE-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP O=c1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c[nH]1 ZINC001276347130 1103518469 /nfs/dbraw/zinc/51/84/69/1103518469.db2.gz QGFCXHUWPJWWGD-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001327206242 1103584756 /nfs/dbraw/zinc/58/47/56/1103584756.db2.gz NIFCQHXPKGNQCA-JKSUJKDBSA-N 2 1 312.461 3.132 20 0 DGADMP Cc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cnc1OC(C)C ZINC001244687236 1103623899 /nfs/dbraw/zinc/62/38/99/1103623899.db2.gz YQQNXWPWCYYAMO-UHFFFAOYSA-N 2 1 322.412 3.179 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccnc2N(C)C)CC1 ZINC001327345768 1103626220 /nfs/dbraw/zinc/62/62/20/1103626220.db2.gz HKKNVKNBKVYJQC-UHFFFAOYSA-N 2 1 318.509 3.092 20 0 DGADMP CSc1ncc(C)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244881150 1103741118 /nfs/dbraw/zinc/74/11/18/1103741118.db2.gz KSGSAUZNYGWNKH-UHFFFAOYSA-N 2 1 310.426 3.113 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)n1 ZINC001245349193 1103997532 /nfs/dbraw/zinc/99/75/32/1103997532.db2.gz SFWOUFQJBRMLNP-INIZCTEOSA-N 2 1 305.385 3.062 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765512 1104062042 /nfs/dbraw/zinc/06/20/42/1104062042.db2.gz XGAPPRAQYHZSFT-HUUCEWRRSA-N 2 1 318.486 3.397 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1(C)C ZINC001328765512 1104062048 /nfs/dbraw/zinc/06/20/48/1104062048.db2.gz XGAPPRAQYHZSFT-HUUCEWRRSA-N 2 1 318.486 3.397 20 0 DGADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccncc3C[NH3+])cc12 ZINC001245562953 1104125696 /nfs/dbraw/zinc/12/56/96/1104125696.db2.gz UUOBBOGZBFBRMM-QGZVFWFLSA-N 2 1 320.440 3.325 20 0 DGADMP C[C@H]1CCc2nc(CNC[C@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161566 1104174553 /nfs/dbraw/zinc/17/45/53/1104174553.db2.gz NRRQELHOSSCCAU-UONOGXRCSA-N 2 1 307.507 3.089 20 0 DGADMP CCCCC[C@@H](O)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246048181 1104356178 /nfs/dbraw/zinc/35/61/78/1104356178.db2.gz VVJUWMKCAIFXFZ-GOSISDBHSA-N 2 1 316.489 3.065 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246057140 1104361773 /nfs/dbraw/zinc/36/17/73/1104361773.db2.gz WZRYDFVMRIMRMP-LJQANCHMSA-N 2 1 322.468 3.239 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@@]1(O)CCC[NH2+]C1 ZINC001246069447 1104364002 /nfs/dbraw/zinc/36/40/02/1104364002.db2.gz XVTMZNSEBRTVSF-VQTJNVASSA-N 2 1 318.505 3.224 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CC1(O)CC[NH2+]CC1 ZINC001246067879 1104364456 /nfs/dbraw/zinc/36/44/56/1104364456.db2.gz PRGOZXHISPJTBN-IBGZPJMESA-N 2 1 318.505 3.224 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072480 1104366725 /nfs/dbraw/zinc/36/67/25/1104366725.db2.gz HVLUQNAPTGMFDL-YLJYHZDGSA-N 3 1 315.505 3.019 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073558 1104367267 /nfs/dbraw/zinc/36/72/67/1104367267.db2.gz GZCPMAVHLVGNCM-IPMKNSEASA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073558 1104367277 /nfs/dbraw/zinc/36/72/77/1104367277.db2.gz GZCPMAVHLVGNCM-IPMKNSEASA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246073907 1104367331 /nfs/dbraw/zinc/36/73/31/1104367331.db2.gz LNZNJALTRAFJQF-ZSHCYNCHSA-N 2 1 306.450 3.103 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246074857 1104368833 /nfs/dbraw/zinc/36/88/33/1104368833.db2.gz RAUKKDWOEBTMMG-HZPDHXFCSA-N 2 1 306.450 3.104 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246082025 1104375322 /nfs/dbraw/zinc/37/53/22/1104375322.db2.gz UXMSFQOHRCIFLI-MLHJIOFPSA-N 2 1 318.461 3.190 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)C[NH2+]1 ZINC001246084716 1104377413 /nfs/dbraw/zinc/37/74/13/1104377413.db2.gz MBSLIUXETFZLFQ-XZJROXQQSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246101371 1104386514 /nfs/dbraw/zinc/38/65/14/1104386514.db2.gz LANDMJWCDXDEPX-HHUCQEJWSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[NH2+]C1 ZINC001246115152 1104392899 /nfs/dbraw/zinc/39/28/99/1104392899.db2.gz REICHIORCRVTLD-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[NH2+]1 ZINC001246120985 1104396198 /nfs/dbraw/zinc/39/61/98/1104396198.db2.gz UGWDQRZIDQPNQE-MJGOQNOKSA-N 2 1 313.420 3.299 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@H]1C[NH2+]CC13CC3)C2 ZINC001246127338 1104398679 /nfs/dbraw/zinc/39/86/79/1104398679.db2.gz BNWDOKLDFBWJGU-WFASDCNBSA-N 2 1 311.256 3.192 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246129645 1104400293 /nfs/dbraw/zinc/40/02/93/1104400293.db2.gz GVUJAQJJJLHRFX-DZGCQCFKSA-N 2 1 308.491 3.412 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157874 1104409869 /nfs/dbraw/zinc/40/98/69/1104409869.db2.gz CIVYAWFQNXCOQN-ZTFGCOKTSA-N 2 1 322.880 3.162 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157872 1104410591 /nfs/dbraw/zinc/41/05/91/1104410591.db2.gz CIVYAWFQNXCOQN-FHLIZLRMSA-N 2 1 322.880 3.162 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162431 1104411872 /nfs/dbraw/zinc/41/18/72/1104411872.db2.gz YAOQQLXZWFXHBL-JCGIZDLHSA-N 2 1 322.880 3.162 20 0 DGADMP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160871 1104412172 /nfs/dbraw/zinc/41/21/72/1104412172.db2.gz PNZCRJHKBMCFAG-LSTHTHJFSA-N 2 1 316.489 3.071 20 0 DGADMP CC1CCN(CCC[NH2+]C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246162929 1104412321 /nfs/dbraw/zinc/41/23/21/1104412321.db2.gz SENQMFBPHLUMIQ-UHFFFAOYSA-N 2 1 307.526 3.010 20 0 DGADMP CC1(C)C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246167501 1104415754 /nfs/dbraw/zinc/41/57/54/1104415754.db2.gz FUEVVOVWOVWVNT-RBUKOAKNSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246169691 1104416619 /nfs/dbraw/zinc/41/66/19/1104416619.db2.gz JDTDTHIGGDXIOA-HKUYNNGSSA-N 2 1 321.484 3.249 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246184406 1104428027 /nfs/dbraw/zinc/42/80/27/1104428027.db2.gz KQYRVBTXMBTGLB-UXHICEINSA-N 2 1 317.521 3.061 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001246190504 1104429796 /nfs/dbraw/zinc/42/97/96/1104429796.db2.gz NYFNZRKNEIYKFX-GUDVDZBRSA-N 2 1 303.494 3.190 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191092 1104430562 /nfs/dbraw/zinc/43/05/62/1104430562.db2.gz TYBNNHWCXXIZIS-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191685 1104431820 /nfs/dbraw/zinc/43/18/20/1104431820.db2.gz XETSJFSLIQXWAY-SWLSCSKDSA-N 2 1 316.367 3.248 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001246199607 1104433711 /nfs/dbraw/zinc/43/37/11/1104433711.db2.gz KXINUHUNVBGYFD-ULQDDVLXSA-N 2 1 312.498 3.256 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246195755 1104434003 /nfs/dbraw/zinc/43/40/03/1104434003.db2.gz OYIFZJVBBSKDEH-VIQWUECVSA-N 3 1 307.526 3.153 20 0 DGADMP CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC001246199428 1104434118 /nfs/dbraw/zinc/43/41/18/1104434118.db2.gz JUJLCRBKIFRJNR-GQGLESIBSA-N 2 1 324.509 3.112 20 0 DGADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207068 1104436903 /nfs/dbraw/zinc/43/69/03/1104436903.db2.gz NPQBJFMIPKCAQU-KFWWJZLASA-N 2 1 300.487 3.240 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@]1(C)CC[NH2+]CC1(F)F)CC2 ZINC001246219307 1104441550 /nfs/dbraw/zinc/44/15/50/1104441550.db2.gz GYPPXBZJAQUXQO-SJORKVTESA-N 2 1 308.416 3.077 20 0 DGADMP C[C@]1(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC[NH2+]CC1(F)F ZINC001246219259 1104442185 /nfs/dbraw/zinc/44/21/85/1104442185.db2.gz GSKTXVBIGWUDPO-SWLSCSKDSA-N 2 1 314.807 3.032 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2c(OC)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246220031 1104443639 /nfs/dbraw/zinc/44/36/39/1104443639.db2.gz ITWGWHHYNPVCOH-NEPJUHHUSA-N 2 1 316.367 3.334 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246222353 1104444950 /nfs/dbraw/zinc/44/49/50/1104444950.db2.gz QTARRQIPWAPBBK-DOMZBBRYSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246222358 1104445163 /nfs/dbraw/zinc/44/51/63/1104445163.db2.gz QTARRQIPWAPBBK-SWLSCSKDSA-N 2 1 316.823 3.496 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246225621 1104446043 /nfs/dbraw/zinc/44/60/43/1104446043.db2.gz CRSHZZXHLSRVHO-IRXDYDNUSA-N 2 1 310.432 3.478 20 0 DGADMP Fc1ccc(C(F)(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246225395 1104446342 /nfs/dbraw/zinc/44/63/42/1104446342.db2.gz LDNKQJKJMHJZCT-FUNVUKJBSA-N 2 1 302.315 3.217 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246226172 1104446684 /nfs/dbraw/zinc/44/66/84/1104446684.db2.gz FUFYBRGSFDGYPP-STQMWFEESA-N 2 1 314.807 3.032 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246232348 1104448894 /nfs/dbraw/zinc/44/88/94/1104448894.db2.gz QWSLMHJRRBYUSI-WDEREUQCSA-N 2 1 320.786 3.245 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246238177 1104452115 /nfs/dbraw/zinc/45/21/15/1104452115.db2.gz YLOAUYLEDZVEAQ-CHWSQXEVSA-N 2 1 316.367 3.334 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246263217 1104464592 /nfs/dbraw/zinc/46/45/92/1104464592.db2.gz CDFXCCJUICDDJQ-RTBURBONSA-N 2 1 314.860 3.357 20 0 DGADMP C[NH2+]C1CCC([NH2+][C@H](CCC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001246267496 1104465227 /nfs/dbraw/zinc/46/52/27/1104465227.db2.gz ICIVEZHNCHUERQ-UYSNPLJNSA-N 2 1 312.498 3.253 20 0 DGADMP CCNCC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246273544 1104469039 /nfs/dbraw/zinc/46/90/39/1104469039.db2.gz JVOVCNSMKJXZJA-HXUWFJFHSA-N 2 1 324.468 3.322 20 0 DGADMP CC[NH2+]CC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246273544 1104469047 /nfs/dbraw/zinc/46/90/47/1104469047.db2.gz JVOVCNSMKJXZJA-HXUWFJFHSA-N 2 1 324.468 3.322 20 0 DGADMP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246274105 1104469355 /nfs/dbraw/zinc/46/93/55/1104469355.db2.gz SCNWAYFVMSMDCO-CGTJXYLNSA-N 2 1 302.462 3.087 20 0 DGADMP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246274107 1104469596 /nfs/dbraw/zinc/46/95/96/1104469596.db2.gz SCNWAYFVMSMDCO-RYQLBKOJSA-N 2 1 302.462 3.087 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246278240 1104470511 /nfs/dbraw/zinc/47/05/11/1104470511.db2.gz FTCOGLBVVHUQNI-LBPRGKRZSA-N 2 1 311.267 3.241 20 0 DGADMP [NH3+]C1(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001246280069 1104472350 /nfs/dbraw/zinc/47/23/50/1104472350.db2.gz QREZXFOOTSYISE-LJQANCHMSA-N 2 1 315.505 3.292 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1F ZINC001246295746 1104476756 /nfs/dbraw/zinc/47/67/56/1104476756.db2.gz WMEBCJXGDIUDKP-HOSYDEDBSA-N 2 1 315.230 3.379 20 0 DGADMP CC[C@@H]1CC(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246300354 1104479426 /nfs/dbraw/zinc/47/94/26/1104479426.db2.gz RFMSAUMFPMZQQH-GGPKGHCWSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1CC(NC[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246300354 1104479431 /nfs/dbraw/zinc/47/94/31/1104479431.db2.gz RFMSAUMFPMZQQH-GGPKGHCWSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C[NH2+]1 ZINC001246326423 1104491270 /nfs/dbraw/zinc/49/12/70/1104491270.db2.gz UUSWJBVCOLZSQH-CRAIPNDOSA-N 2 1 306.453 3.257 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001246334131 1104496321 /nfs/dbraw/zinc/49/63/21/1104496321.db2.gz YUZLKPIXVOOMGJ-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1C[NH2+]CCC1(C)C)CC2 ZINC001246333723 1104496474 /nfs/dbraw/zinc/49/64/74/1104496474.db2.gz WMTOCIYESOTPGF-SJKOYZFVSA-N 2 1 322.880 3.184 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(C(=O)OCC)cs2)CC[NH2+]1 ZINC001246344815 1104500696 /nfs/dbraw/zinc/50/06/96/1104500696.db2.gz IDCFNWJGPKEWDH-LSDHHAIUSA-N 2 1 324.490 3.325 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246357178 1104505838 /nfs/dbraw/zinc/50/58/38/1104505838.db2.gz JLOSRQDSAPLDFE-HNNXBMFYSA-N 2 1 306.425 3.379 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246359265 1104506429 /nfs/dbraw/zinc/50/64/29/1104506429.db2.gz AEDIKSAATZNWPF-MOPGFXCFSA-N 2 1 319.537 3.295 20 0 DGADMP Clc1ccccc1C1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)COC1 ZINC001246364368 1104510083 /nfs/dbraw/zinc/51/00/83/1104510083.db2.gz WCUBXKNLZNZJLP-WMLDXEAASA-N 2 1 320.864 3.077 20 0 DGADMP CO[C@H]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246374071 1104513421 /nfs/dbraw/zinc/51/34/21/1104513421.db2.gz FFYFNQPGYXTMHB-GJZGRUSLSA-N 2 1 322.880 3.466 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246394830 1104523549 /nfs/dbraw/zinc/52/35/49/1104523549.db2.gz JXRIEGRZNYTIOG-RTBURBONSA-N 2 1 315.505 3.019 20 0 DGADMP CC[C@@H]1C[C@H](N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246395048 1104524019 /nfs/dbraw/zinc/52/40/19/1104524019.db2.gz MMFYZKINJXTPEW-AQNXPRMDSA-N 2 1 315.505 3.238 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3ccncc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246406867 1104529267 /nfs/dbraw/zinc/52/92/67/1104529267.db2.gz PZFANEKOEPSYSL-HOCLYGCPSA-N 2 1 323.431 3.302 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407966 1104530871 /nfs/dbraw/zinc/53/08/71/1104530871.db2.gz WGEKGANDPZALSU-WNHJNPCNSA-N 3 1 307.526 3.279 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246416766 1104532612 /nfs/dbraw/zinc/53/26/12/1104532612.db2.gz LQQZITJBRFMVMV-KHYOSLBOSA-N 2 1 324.509 3.255 20 0 DGADMP [NH3+]CCC[C@H]([NH2+]C1CCCCCC1)C(=O)OCc1ccccc1 ZINC001246412174 1104532753 /nfs/dbraw/zinc/53/27/53/1104532753.db2.gz XQGVNVFLAVFUBA-SFHVURJKSA-N 2 1 318.461 3.150 20 0 DGADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)O1 ZINC001246413728 1104533375 /nfs/dbraw/zinc/53/33/75/1104533375.db2.gz PSOQJPSRACGRPN-RCCFBDPRSA-N 2 1 302.462 3.069 20 0 DGADMP Fc1cccc(CC2([NH2+][C@@H]3CC[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246415914 1104533460 /nfs/dbraw/zinc/53/34/60/1104533460.db2.gz PHBJUOWCNIPCAP-OAHLLOKOSA-N 2 1 312.379 3.268 20 0 DGADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CC1(C)CCCCC1)C2 ZINC001274906301 1104539118 /nfs/dbraw/zinc/53/91/18/1104539118.db2.gz VLLWKLDCNMLUEH-FQEVSTJZSA-N 2 1 321.553 3.306 20 0 DGADMP C(C1CCC1)C1(N[C@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246449828 1104544224 /nfs/dbraw/zinc/54/42/24/1104544224.db2.gz YKXKAOMACWGQQB-SFHVURJKSA-N 2 1 319.537 3.295 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001246453432 1104544348 /nfs/dbraw/zinc/54/43/48/1104544348.db2.gz OCHDJMRSONFJBG-CYBMUJFWSA-N 2 1 313.283 3.358 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246458104 1104548023 /nfs/dbraw/zinc/54/80/23/1104548023.db2.gz WIJIGHNEMJBLBG-PIKOESSRSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@]1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC001246466456 1104549511 /nfs/dbraw/zinc/54/95/11/1104549511.db2.gz VODHLPUJJPCABM-UYAOXDASSA-N 2 1 315.505 3.161 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246488867 1104562371 /nfs/dbraw/zinc/56/23/71/1104562371.db2.gz ONWUHBGZZVBLIZ-UKRRQHHQSA-N 2 1 314.807 3.032 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC001246502491 1104568567 /nfs/dbraw/zinc/56/85/67/1104568567.db2.gz FGOSMNXOUMUBPY-WFASDCNBSA-N 2 1 313.283 3.343 20 0 DGADMP CC[C@H](CC(C)C)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246503462 1104568928 /nfs/dbraw/zinc/56/89/28/1104568928.db2.gz ZBPMNJCKUCLACP-CABCVRRESA-N 2 1 300.487 3.240 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246508767 1104570130 /nfs/dbraw/zinc/57/01/30/1104570130.db2.gz CGAKFLQZJYAMMX-MHORFTMASA-N 3 1 307.526 3.340 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246506627 1104571022 /nfs/dbraw/zinc/57/10/22/1104571022.db2.gz WVNZZRMHCLJFEF-OALUTQOASA-N 2 1 317.521 3.393 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992435 1104572453 /nfs/dbraw/zinc/57/24/53/1104572453.db2.gz CFZIAVYMXNKENP-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992435 1104572459 /nfs/dbraw/zinc/57/24/59/1104572459.db2.gz CFZIAVYMXNKENP-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992435 1104572468 /nfs/dbraw/zinc/57/24/68/1104572468.db2.gz CFZIAVYMXNKENP-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001274992435 1104572476 /nfs/dbraw/zinc/57/24/76/1104572476.db2.gz CFZIAVYMXNKENP-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246524882 1104577768 /nfs/dbraw/zinc/57/77/68/1104577768.db2.gz UHJITIRWHKBXMA-MRXNPFEDSA-N 2 1 320.427 3.288 20 0 DGADMP CC(=O)Oc1ccc(C2CCC([N@H+]3CC[C@](C)([NH3+])C3)CC2)cc1 ZINC001246529507 1104580241 /nfs/dbraw/zinc/58/02/41/1104580241.db2.gz KRZGFWHOKUVBNF-KVWWFHCMSA-N 2 1 316.445 3.061 20 0 DGADMP CC[C@@H]1C[C@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528008 1104580548 /nfs/dbraw/zinc/58/05/48/1104580548.db2.gz NFOUYYJTGFGOJF-NMLBUPMWSA-N 2 1 315.505 3.284 20 0 DGADMP CC1(C)C[C@@H](N2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246537831 1104584197 /nfs/dbraw/zinc/58/41/97/1104584197.db2.gz DFTFCONIYRCYEC-OALUTQOASA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@H]2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246542405 1104585987 /nfs/dbraw/zinc/58/59/87/1104585987.db2.gz QFXAMTJTEJPJSU-HNJRGHQBSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546045 1104588606 /nfs/dbraw/zinc/58/86/06/1104588606.db2.gz ZBSVTYDTWGJDJM-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546045 1104588611 /nfs/dbraw/zinc/58/86/11/1104588611.db2.gz ZBSVTYDTWGJDJM-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)CC2 ZINC001246548774 1104588978 /nfs/dbraw/zinc/58/89/78/1104588978.db2.gz GOODYKQNUNESSP-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP c1n[nH]cc1C[NH+]1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2CC1 ZINC001275039642 1104589349 /nfs/dbraw/zinc/58/93/49/1104589349.db2.gz QCYHVQSQYTUMMI-KDURUIRLSA-N 2 1 316.493 3.134 20 0 DGADMP c1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH+](CC3CCCCC3)C[C@H]2CC1 ZINC001275039642 1104589357 /nfs/dbraw/zinc/58/93/57/1104589357.db2.gz QCYHVQSQYTUMMI-KDURUIRLSA-N 2 1 316.493 3.134 20 0 DGADMP c1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](CC3CCCCC3)C[C@H]2CC1 ZINC001275039642 1104589366 /nfs/dbraw/zinc/58/93/66/1104589366.db2.gz QCYHVQSQYTUMMI-KDURUIRLSA-N 2 1 316.493 3.134 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)CC2 ZINC001246553114 1104590024 /nfs/dbraw/zinc/59/00/24/1104590024.db2.gz RQAIQKHIPCMWRH-BFHYXJOUSA-N 2 1 322.880 3.123 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3cc(OC)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246550054 1104590420 /nfs/dbraw/zinc/59/04/20/1104590420.db2.gz NLTZOVQHKAZAAC-PIIMJCKOSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3cc(OC)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246550054 1104590427 /nfs/dbraw/zinc/59/04/27/1104590427.db2.gz NLTZOVQHKAZAAC-PIIMJCKOSA-N 2 1 302.462 3.363 20 0 DGADMP CC1(C)C[C@H](N2CCCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246558662 1104595634 /nfs/dbraw/zinc/59/56/34/1104595634.db2.gz LHHFOAKUOLCCHQ-RBUKOAKNSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246560318 1104596317 /nfs/dbraw/zinc/59/63/17/1104596317.db2.gz CLKUWLLDKVULCD-GJZGRUSLSA-N 2 1 321.896 3.368 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564330 1104597691 /nfs/dbraw/zinc/59/76/91/1104597691.db2.gz MVLOCZWRZFKRQD-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564330 1104597694 /nfs/dbraw/zinc/59/76/94/1104597694.db2.gz MVLOCZWRZFKRQD-MISYRCLQSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001246564330 1104597701 /nfs/dbraw/zinc/59/77/01/1104597701.db2.gz MVLOCZWRZFKRQD-MISYRCLQSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246564330 1104597709 /nfs/dbraw/zinc/59/77/09/1104597709.db2.gz MVLOCZWRZFKRQD-MISYRCLQSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246564330 1104597723 /nfs/dbraw/zinc/59/77/23/1104597723.db2.gz MVLOCZWRZFKRQD-MISYRCLQSA-N 3 1 315.505 3.100 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC[C@H]1C[NH3+] ZINC001246563437 1104598345 /nfs/dbraw/zinc/59/83/45/1104598345.db2.gz WYUFXVJFDABABQ-INWMFGNUSA-N 2 1 308.416 3.129 20 0 DGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275058413 1104599085 /nfs/dbraw/zinc/59/90/85/1104599085.db2.gz SBGUTQCQOFCSGC-IBGZPJMESA-N 2 1 321.553 3.328 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CN1Cc1ccccc1 ZINC001246572050 1104599105 /nfs/dbraw/zinc/59/91/05/1104599105.db2.gz CVMVJYIKTGNBGV-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CCC[C@@H]1C[NH3+] ZINC001246566630 1104600227 /nfs/dbraw/zinc/60/02/27/1104600227.db2.gz JGICTNMOSAYWSO-XPKDYRNWSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccccc2Cl)CC1 ZINC001246567744 1104600422 /nfs/dbraw/zinc/60/04/22/1104600422.db2.gz XQPYFTPTFWRDHQ-GJZGRUSLSA-N 2 1 321.896 3.368 20 0 DGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062492 1104600617 /nfs/dbraw/zinc/60/06/17/1104600617.db2.gz ZPRDQXAQWUOLDW-OKZBNKHCSA-N 2 1 318.509 3.093 20 0 DGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062492 1104600620 /nfs/dbraw/zinc/60/06/20/1104600620.db2.gz ZPRDQXAQWUOLDW-OKZBNKHCSA-N 2 1 318.509 3.093 20 0 DGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062492 1104600623 /nfs/dbraw/zinc/60/06/23/1104600623.db2.gz ZPRDQXAQWUOLDW-OKZBNKHCSA-N 2 1 318.509 3.093 20 0 DGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062492 1104600628 /nfs/dbraw/zinc/60/06/28/1104600628.db2.gz ZPRDQXAQWUOLDW-OKZBNKHCSA-N 2 1 318.509 3.093 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001246574864 1104601534 /nfs/dbraw/zinc/60/15/34/1104601534.db2.gz JHVQWFKOLLFRCX-WBVHZDCISA-N 2 1 308.853 3.094 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001246577348 1104601915 /nfs/dbraw/zinc/60/19/15/1104601915.db2.gz OWNAXFPIJTXSRF-OTWHNJEPSA-N 2 1 302.462 3.358 20 0 DGADMP [NH3+]C[C@@H]1CCCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591353 1104610603 /nfs/dbraw/zinc/61/06/03/1104610603.db2.gz IQHCNDWYYFKANX-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591353 1104610609 /nfs/dbraw/zinc/61/06/09/1104610609.db2.gz IQHCNDWYYFKANX-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001246591353 1104610616 /nfs/dbraw/zinc/61/06/16/1104610616.db2.gz IQHCNDWYYFKANX-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001246591353 1104610625 /nfs/dbraw/zinc/61/06/25/1104610625.db2.gz IQHCNDWYYFKANX-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@@H]1CCCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246591353 1104610630 /nfs/dbraw/zinc/61/06/30/1104610630.db2.gz IQHCNDWYYFKANX-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246595073 1104611758 /nfs/dbraw/zinc/61/17/58/1104611758.db2.gz XLRKVSYNYQDRGJ-ZMMAXQRCSA-N 2 1 324.509 3.351 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCNC[C@H]1c1ccccc1 ZINC001246595630 1104612700 /nfs/dbraw/zinc/61/27/00/1104612700.db2.gz UFPKAIMTXNYOIZ-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001246595630 1104612704 /nfs/dbraw/zinc/61/27/04/1104612704.db2.gz UFPKAIMTXNYOIZ-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246597442 1104614257 /nfs/dbraw/zinc/61/42/57/1104614257.db2.gz WCKFSCDKSASYHX-KRWDZBQOSA-N 3 1 307.526 3.153 20 0 DGADMP CC(C)N([C@@H]1CCC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597521 1104614739 /nfs/dbraw/zinc/61/47/39/1104614739.db2.gz XAAPWXNUXLHGGK-RTBURBONSA-N 2 1 307.526 3.246 20 0 DGADMP CC(C)[N@@H+]([C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246595946 1104614802 /nfs/dbraw/zinc/61/48/02/1104614802.db2.gz UHVZCPGICJTHBM-QZTJIDSGSA-N 3 1 307.526 3.294 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246595946 1104614806 /nfs/dbraw/zinc/61/48/06/1104614806.db2.gz UHVZCPGICJTHBM-QZTJIDSGSA-N 2 1 307.526 3.294 20 0 DGADMP c1nc2c(s1)C[C@H]([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)CC2 ZINC001246599312 1104616463 /nfs/dbraw/zinc/61/64/63/1104616463.db2.gz CFXPDAIRUNNZRM-CRAIPNDOSA-N 2 1 319.518 3.246 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246602892 1104619751 /nfs/dbraw/zinc/61/97/51/1104619751.db2.gz DJPGLEIAHQFGHP-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@]34CCC[NH2+]CC4)CCN2)cc1 ZINC001246602820 1104620071 /nfs/dbraw/zinc/62/00/71/1104620071.db2.gz CSRPFTWZGYYCGH-AABGKKOBSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602820 1104620073 /nfs/dbraw/zinc/62/00/73/1104620073.db2.gz CSRPFTWZGYYCGH-AABGKKOBSA-N 3 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602820 1104620076 /nfs/dbraw/zinc/62/00/76/1104620076.db2.gz CSRPFTWZGYYCGH-AABGKKOBSA-N 3 1 313.489 3.088 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246605325 1104621805 /nfs/dbraw/zinc/62/18/05/1104621805.db2.gz BFFKUOJNELECOR-FXAWDEMLSA-N 2 1 314.473 3.018 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246605527 1104622262 /nfs/dbraw/zinc/62/22/62/1104622262.db2.gz POBJLJWZGZJNIF-IEBWSBKVSA-N 2 1 324.509 3.354 20 0 DGADMP CC(C)CC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275096374 1104622727 /nfs/dbraw/zinc/62/27/27/1104622727.db2.gz FMISVHTWCDDTQF-UHFFFAOYSA-N 2 1 304.482 3.134 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246607612 1104624389 /nfs/dbraw/zinc/62/43/89/1104624389.db2.gz UKHQOOOWAZOTQT-IBGZPJMESA-N 2 1 316.489 3.242 20 0 DGADMP CC(C)CC[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275101675 1104624526 /nfs/dbraw/zinc/62/45/26/1104624526.db2.gz CQBPZCLIHMKNEO-IBGZPJMESA-N 2 1 318.509 3.107 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246610852 1104625986 /nfs/dbraw/zinc/62/59/86/1104625986.db2.gz OFUMWYQSOZHCGX-MRXNPFEDSA-N 2 1 320.427 3.430 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246610801 1104626276 /nfs/dbraw/zinc/62/62/76/1104626276.db2.gz NVCVDGRSRQPVSH-VQIMIIECSA-N 2 1 320.427 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611405 1104626609 /nfs/dbraw/zinc/62/66/09/1104626609.db2.gz UPTPOUIHMFJEAA-IYWMVGAKSA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611405 1104626612 /nfs/dbraw/zinc/62/66/12/1104626612.db2.gz UPTPOUIHMFJEAA-IYWMVGAKSA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611405 1104626619 /nfs/dbraw/zinc/62/66/19/1104626619.db2.gz UPTPOUIHMFJEAA-IYWMVGAKSA-N 3 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611405 1104626623 /nfs/dbraw/zinc/62/66/23/1104626623.db2.gz UPTPOUIHMFJEAA-IYWMVGAKSA-N 2 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611405 1104626628 /nfs/dbraw/zinc/62/66/28/1104626628.db2.gz UPTPOUIHMFJEAA-IYWMVGAKSA-N 2 1 319.537 3.248 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246610797 1104626929 /nfs/dbraw/zinc/62/69/29/1104626929.db2.gz NVCVDGRSRQPVSH-LPHOPBHVSA-N 2 1 320.427 3.288 20 0 DGADMP Clc1cccc2c1CC[C@@H]([NH+]1CCC3(CCC[NH2+]3)CC1)C2 ZINC001246622422 1104632758 /nfs/dbraw/zinc/63/27/58/1104632758.db2.gz ILENKCFRXPKOOJ-OAHLLOKOSA-N 2 1 304.865 3.415 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246623428 1104633192 /nfs/dbraw/zinc/63/31/92/1104633192.db2.gz SYENEAQLSGOVKX-PMACEKPBSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246623428 1104633196 /nfs/dbraw/zinc/63/31/96/1104633196.db2.gz SYENEAQLSGOVKX-PMACEKPBSA-N 2 1 316.489 3.242 20 0 DGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625961 1104634544 /nfs/dbraw/zinc/63/45/44/1104634544.db2.gz QNDYOBHPYQKHAP-FPMFFAJLSA-N 2 1 313.272 3.466 20 0 DGADMP CCCCC[NH+]1CCC2(CC[N@@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001275121306 1104634483 /nfs/dbraw/zinc/63/44/83/1104634483.db2.gz UFNZFLXDOVCPBD-UHFFFAOYSA-N 2 1 318.509 3.207 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246643406 1104642077 /nfs/dbraw/zinc/64/20/77/1104642077.db2.gz GWZSASGGRXAUPJ-FCGDIQPGSA-N 3 1 307.526 3.150 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645519 1104644233 /nfs/dbraw/zinc/64/42/33/1104644233.db2.gz BYNAYZMZFDPYJO-BNOWGMLFSA-N 2 1 313.272 3.466 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645519 1104644235 /nfs/dbraw/zinc/64/42/35/1104644235.db2.gz BYNAYZMZFDPYJO-BNOWGMLFSA-N 2 1 313.272 3.466 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246647337 1104645418 /nfs/dbraw/zinc/64/54/18/1104645418.db2.gz SCMXHOGAIGPELX-YGONEPDPSA-N 2 1 323.278 3.193 20 0 DGADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC001275136989 1104645599 /nfs/dbraw/zinc/64/55/99/1104645599.db2.gz IUJORLAQZRKWGP-GASCZTMLSA-N 2 1 304.400 3.383 20 0 DGADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC001275136989 1104645604 /nfs/dbraw/zinc/64/56/04/1104645604.db2.gz IUJORLAQZRKWGP-GASCZTMLSA-N 2 1 304.400 3.383 20 0 DGADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC001275136989 1104645608 /nfs/dbraw/zinc/64/56/08/1104645608.db2.gz IUJORLAQZRKWGP-GASCZTMLSA-N 2 1 304.400 3.383 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275146058 1104646721 /nfs/dbraw/zinc/64/67/21/1104646721.db2.gz TYJSRUIZULQTJF-UFYCRDLUSA-N 2 1 321.553 3.469 20 0 DGADMP CCOC(=O)C1(C)CCC([N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001246652500 1104649279 /nfs/dbraw/zinc/64/92/79/1104649279.db2.gz QAYLQHBUWYVVSN-NKELODKYSA-N 2 1 322.493 3.107 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275146443 1104650645 /nfs/dbraw/zinc/65/06/45/1104650645.db2.gz ZCHMYURCHFJKKB-HSALFYBXSA-N 2 1 321.553 3.327 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657768 1104650729 /nfs/dbraw/zinc/65/07/29/1104650729.db2.gz IMFROQYCMLCEPW-IVMMDQJWSA-N 2 1 312.379 3.320 20 0 DGADMP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCCC2)CC3)c1 ZINC001275152861 1104650899 /nfs/dbraw/zinc/65/08/99/1104650899.db2.gz BRHNLSJKOIOVPX-UHFFFAOYSA-N 2 1 301.478 3.493 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CC[NH2+]2 ZINC001246661083 1104653135 /nfs/dbraw/zinc/65/31/35/1104653135.db2.gz TXAFYRRPMXYCQP-RTBURBONSA-N 3 1 319.537 3.295 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001246660176 1104653246 /nfs/dbraw/zinc/65/32/46/1104653246.db2.gz SDJNLUPRFIPTGA-MHJFOBGBSA-N 3 1 321.553 3.494 20 0 DGADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001275151479 1104653838 /nfs/dbraw/zinc/65/38/38/1104653838.db2.gz GEAHWHYBBMNEAI-LJQANCHMSA-N 2 1 309.542 3.162 20 0 DGADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)n(C)n1 ZINC001275151485 1104653982 /nfs/dbraw/zinc/65/39/82/1104653982.db2.gz GSMCKPSBYRWDKW-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246672693 1104655529 /nfs/dbraw/zinc/65/55/29/1104655529.db2.gz KOHRHDZZTFSQAI-YCPHGPKFSA-N 2 1 308.491 3.364 20 0 DGADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+]([C@@H]2CCCSC2)CC3)cc1 ZINC001246671083 1104655919 /nfs/dbraw/zinc/65/59/19/1104655919.db2.gz GOZUFDKGVOQHRL-IPMKNSEASA-N 2 1 316.514 3.135 20 0 DGADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+]([C@@H]2CCCSC2)CC3)cc1 ZINC001246671082 1104656149 /nfs/dbraw/zinc/65/61/49/1104656149.db2.gz GOZUFDKGVOQHRL-GUDVDZBRSA-N 2 1 316.514 3.135 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246672691 1104656256 /nfs/dbraw/zinc/65/62/56/1104656256.db2.gz KOHRHDZZTFSQAI-IJEWVQPXSA-N 2 1 308.491 3.364 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246669905 1104656322 /nfs/dbraw/zinc/65/63/22/1104656322.db2.gz CMPMCTMYQSTLHR-MISYRCLQSA-N 2 1 316.489 3.412 20 0 DGADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246669905 1104656326 /nfs/dbraw/zinc/65/63/26/1104656326.db2.gz CMPMCTMYQSTLHR-MISYRCLQSA-N 2 1 316.489 3.412 20 0 DGADMP C[N@@H+](CCC[NH3+])[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246683097 1104660713 /nfs/dbraw/zinc/66/07/13/1104660713.db2.gz ZEUBRQCQHDHKOS-HXUWFJFHSA-N 2 1 324.468 3.404 20 0 DGADMP Oc1cnccc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001275168777 1104663696 /nfs/dbraw/zinc/66/36/96/1104663696.db2.gz NGROKWXFRLYQFK-RBUKOAKNSA-N 2 1 315.461 3.254 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692839 1104663878 /nfs/dbraw/zinc/66/38/78/1104663878.db2.gz PAUMFCIQRDFPLL-XYPHTWIQSA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692839 1104663883 /nfs/dbraw/zinc/66/38/83/1104663883.db2.gz PAUMFCIQRDFPLL-XYPHTWIQSA-N 2 1 310.844 3.295 20 0 DGADMP C(C1CCOCC1)[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275171148 1104664563 /nfs/dbraw/zinc/66/45/63/1104664563.db2.gz CDBBCILGLFPYQX-LJQANCHMSA-N 2 1 306.494 3.144 20 0 DGADMP C(C1CCOCC1)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275171148 1104664568 /nfs/dbraw/zinc/66/45/68/1104664568.db2.gz CDBBCILGLFPYQX-LJQANCHMSA-N 2 1 306.494 3.144 20 0 DGADMP C(C1CCOCC1)[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275171148 1104664574 /nfs/dbraw/zinc/66/45/74/1104664574.db2.gz CDBBCILGLFPYQX-LJQANCHMSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001246712758 1104665798 /nfs/dbraw/zinc/66/57/98/1104665798.db2.gz BVTFBIJINRNDJZ-QXAKKESOSA-N 2 1 302.462 3.023 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC[NH2+]1 ZINC001246779495 1104670169 /nfs/dbraw/zinc/67/01/69/1104670169.db2.gz IEKVVFBKEPUDDU-RBUKOAKNSA-N 3 1 309.542 3.349 20 0 DGADMP CC[C@H]1CC([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246780960 1104670672 /nfs/dbraw/zinc/67/06/72/1104670672.db2.gz APDOCMIOJMCNIK-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H]1CC([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246780960 1104670678 /nfs/dbraw/zinc/67/06/78/1104670678.db2.gz APDOCMIOJMCNIK-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246782493 1104671565 /nfs/dbraw/zinc/67/15/65/1104671565.db2.gz QGZFHAUPOHNDIG-JTDSTZFVSA-N 2 1 318.461 3.069 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246783272 1104672227 /nfs/dbraw/zinc/67/22/27/1104672227.db2.gz SPFCTHPNLMBQGV-RCJHGTSTSA-N 2 1 318.461 3.067 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246786345 1104675054 /nfs/dbraw/zinc/67/50/54/1104675054.db2.gz NWFXWQMOGVPDOC-AQNXPRMDSA-N 2 1 314.473 3.200 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246786349 1104675248 /nfs/dbraw/zinc/67/52/48/1104675248.db2.gz NXKXFSYUHUODRJ-IBGZPJMESA-N 2 1 314.473 3.370 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246789267 1104676136 /nfs/dbraw/zinc/67/61/36/1104676136.db2.gz JSVFEEZGCJUAOS-DYVFJYSZSA-N 2 1 320.864 3.375 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246795380 1104679948 /nfs/dbraw/zinc/67/99/48/1104679948.db2.gz AXYBPPVRQVJHPE-HOTGVXAUSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@H]1C[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246803184 1104682650 /nfs/dbraw/zinc/68/26/50/1104682650.db2.gz MMWHNSDTGJGWPX-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246811522 1104685476 /nfs/dbraw/zinc/68/54/76/1104685476.db2.gz FOACLMJKQCRCIS-PIIMJCKOSA-N 2 1 302.538 3.364 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246814788 1104688998 /nfs/dbraw/zinc/68/89/98/1104688998.db2.gz RZQWTOSFJAYGOA-PKOBYXMFSA-N 2 1 302.462 3.092 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccn2)cc1 ZINC001275245142 1104690007 /nfs/dbraw/zinc/69/00/07/1104690007.db2.gz CMJVCRNHRQMFIL-YQQQUEKLSA-N 2 1 307.441 3.463 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246819006 1104690168 /nfs/dbraw/zinc/69/01/68/1104690168.db2.gz DPSYVGXZJMPTBY-NZSAHSFTSA-N 2 1 315.505 3.241 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246838478 1104699286 /nfs/dbraw/zinc/69/92/86/1104699286.db2.gz CGHBZKBPQXYTPS-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP Fc1ccccc1OC1C[NH+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246841664 1104700928 /nfs/dbraw/zinc/70/09/28/1104700928.db2.gz NWTCYKXZIVDYJH-UHFFFAOYSA-N 2 1 318.436 3.201 20 0 DGADMP c1ccc(C2CCC([N@H+](C3COC3)C3CC[NH2+]CC3)CC2)cc1 ZINC001246842050 1104702509 /nfs/dbraw/zinc/70/25/09/1104702509.db2.gz ADPLVAATQRJERN-UHFFFAOYSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc(C2CCC([N@@H+](C3COC3)C3CC[NH2+]CC3)CC2)cc1 ZINC001246842050 1104702517 /nfs/dbraw/zinc/70/25/17/1104702517.db2.gz ADPLVAATQRJERN-UHFFFAOYSA-N 2 1 314.473 3.166 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246847895 1104704318 /nfs/dbraw/zinc/70/43/18/1104704318.db2.gz YVQNCHINLVUSFF-BJLQDIEVSA-N 2 1 314.473 3.370 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001246845262 1104705247 /nfs/dbraw/zinc/70/52/47/1104705247.db2.gz KVBJJJLKYLLEKC-LNLGZHKDSA-N 2 1 310.485 3.355 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246851842 1104706748 /nfs/dbraw/zinc/70/67/48/1104706748.db2.gz AHQYMMJXOWSBMS-WMZOPIPTSA-N 2 1 302.437 3.222 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848571 1104706967 /nfs/dbraw/zinc/70/69/67/1104706967.db2.gz CIUPVZFUZHQDQY-LXZKKBNFSA-N 2 1 308.853 3.324 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850465 1104707223 /nfs/dbraw/zinc/70/72/23/1104707223.db2.gz KKGQPMTXJZCVTP-INDMIFKZSA-N 2 1 321.553 3.492 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850465 1104707230 /nfs/dbraw/zinc/70/72/30/1104707230.db2.gz KKGQPMTXJZCVTP-INDMIFKZSA-N 3 1 321.553 3.492 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850465 1104707237 /nfs/dbraw/zinc/70/72/37/1104707237.db2.gz KKGQPMTXJZCVTP-INDMIFKZSA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850465 1104707241 /nfs/dbraw/zinc/70/72/41/1104707241.db2.gz KKGQPMTXJZCVTP-INDMIFKZSA-N 3 1 321.553 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246850465 1104707247 /nfs/dbraw/zinc/70/72/47/1104707247.db2.gz KKGQPMTXJZCVTP-INDMIFKZSA-N 3 1 321.553 3.492 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848817 1104707634 /nfs/dbraw/zinc/70/76/34/1104707634.db2.gz CIUPVZFUZHQDQY-UNEWFSDZSA-N 2 1 308.853 3.324 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1C ZINC001275290919 1104708057 /nfs/dbraw/zinc/70/80/57/1104708057.db2.gz GZLVHAQEHNJXHU-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001275291896 1104709833 /nfs/dbraw/zinc/70/98/33/1104709833.db2.gz RLHVGQOEZWOPEV-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1C ZINC001275291896 1104709840 /nfs/dbraw/zinc/70/98/40/1104709840.db2.gz RLHVGQOEZWOPEV-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1C ZINC001275291896 1104709845 /nfs/dbraw/zinc/70/98/45/1104709845.db2.gz RLHVGQOEZWOPEV-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP Fc1ccc(OCC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246862637 1104711667 /nfs/dbraw/zinc/71/16/67/1104711667.db2.gz LZUYRRGBIBDNKG-QGZVFWFLSA-N 2 1 306.425 3.059 20 0 DGADMP CCCCCC[C@@H](CCC)[NH+]1CCC([C@H]([NH3+])C(=O)OC)CC1 ZINC001246866727 1104712448 /nfs/dbraw/zinc/71/24/48/1104712448.db2.gz CQUTWWMNFZDUEI-SJORKVTESA-N 2 1 312.498 3.338 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246864979 1104712578 /nfs/dbraw/zinc/71/25/78/1104712578.db2.gz QZYIPWUHDXUAIF-FZMZJTMJSA-N 2 1 313.272 3.392 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246870449 1104714577 /nfs/dbraw/zinc/71/45/77/1104714577.db2.gz BRHZXFXKIIMNNY-FSSWDIPSSA-N 2 1 320.480 3.481 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)CCc2ccc(Cl)cc21 ZINC001246868972 1104715086 /nfs/dbraw/zinc/71/50/86/1104715086.db2.gz DSFRUGMBXTUHQQ-BBRMVZONSA-N 2 1 304.865 3.444 20 0 DGADMP Nc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246877460 1104718500 /nfs/dbraw/zinc/71/85/00/1104718500.db2.gz BHUFKIQRUGBTCS-UXHICEINSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246877460 1104718507 /nfs/dbraw/zinc/71/85/07/1104718507.db2.gz BHUFKIQRUGBTCS-UXHICEINSA-N 2 1 307.441 3.120 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246880486 1104720101 /nfs/dbraw/zinc/72/01/01/1104720101.db2.gz FVYLUEARQKFSJA-ZWKOTPCHSA-N 2 1 302.462 3.092 20 0 DGADMP c1csc([C@@H]2C[NH2+]CCN2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001246883681 1104721392 /nfs/dbraw/zinc/72/13/92/1104721392.db2.gz DZDXBFVLSANWOY-SJORKVTESA-N 2 1 319.518 3.101 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cnc1Cl ZINC001275327047 1104723747 /nfs/dbraw/zinc/72/37/47/1104723747.db2.gz HFDKLZUOSYKGNR-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCN(c3cccc4sccc43)CC2)CC[NH2+]1 ZINC001246899192 1104727672 /nfs/dbraw/zinc/72/76/72/1104727672.db2.gz QMLYPGHABJOSGH-GJZGRUSLSA-N 2 1 315.486 3.164 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246913521 1104735885 /nfs/dbraw/zinc/73/58/85/1104735885.db2.gz XWOSGIGZVCLCGB-ACBHZAAOSA-N 3 1 315.505 3.289 20 0 DGADMP CC(C)OCC[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918314 1104736804 /nfs/dbraw/zinc/73/68/04/1104736804.db2.gz DVAROLYVANUITG-PKOBYXMFSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246918314 1104736811 /nfs/dbraw/zinc/73/68/11/1104736811.db2.gz DVAROLYVANUITG-PKOBYXMFSA-N 2 1 304.478 3.444 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)c1 ZINC001246917782 1104737077 /nfs/dbraw/zinc/73/70/77/1104737077.db2.gz XJCBMXAVXMCHIH-MSOLQXFVSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@H]1C[C@@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC)CC[NH2+]1 ZINC001246917695 1104737351 /nfs/dbraw/zinc/73/73/51/1104737351.db2.gz SDSZACJAQZZHQP-UFYCRDLUSA-N 2 1 315.505 3.113 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246926732 1104740546 /nfs/dbraw/zinc/74/05/46/1104740546.db2.gz DXNPHHHQGXJSCJ-CYGHRXIMSA-N 2 1 302.462 3.404 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936419 1104742860 /nfs/dbraw/zinc/74/28/60/1104742860.db2.gz IRGPIDBVKPPQCU-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246934009 1104743632 /nfs/dbraw/zinc/74/36/32/1104743632.db2.gz MUDYEASICBYWHB-KKXNLOMOSA-N 3 1 319.537 3.153 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])[C@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246938953 1104744430 /nfs/dbraw/zinc/74/44/30/1104744430.db2.gz QDASOAJLTUSCPJ-DSJDWBEOSA-N 2 1 315.505 3.240 20 0 DGADMP c1nc2c(s1)C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)CC2 ZINC001246938071 1104744449 /nfs/dbraw/zinc/74/44/49/1104744449.db2.gz OPXICOPXBGUGMM-HOCLYGCPSA-N 2 1 319.518 3.245 20 0 DGADMP CC1(C)C[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CO1 ZINC001246939653 1104744609 /nfs/dbraw/zinc/74/46/09/1104744609.db2.gz BTVISZLIIWDADO-GOSISDBHSA-N 2 1 320.452 3.195 20 0 DGADMP CCCN([C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246941421 1104745503 /nfs/dbraw/zinc/74/55/03/1104745503.db2.gz KOVBVLUMZCNVPY-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246942891 1104746160 /nfs/dbraw/zinc/74/61/60/1104746160.db2.gz RIJRYESPXCMRDW-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP CCOCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246948274 1104748291 /nfs/dbraw/zinc/74/82/91/1104748291.db2.gz BBTNPNRFJNWIAD-SFHVURJKSA-N 2 1 318.505 3.407 20 0 DGADMP C[C@@H]1CC([N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246952197 1104749542 /nfs/dbraw/zinc/74/95/42/1104749542.db2.gz JPDAXLNDNNNVAD-HOTGVXAUSA-N 2 1 301.478 3.460 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]([C@H]2CCSC2)C2CC[NH2+]CC2)c1 ZINC001246951984 1104751017 /nfs/dbraw/zinc/75/10/17/1104751017.db2.gz PDVDFDFZYGKPCA-KRWDZBQOSA-N 2 1 308.466 3.194 20 0 DGADMP COc1ccc(C[N@@H+]([C@H](C)CC2CC2)C2CC[NH2+]CC2)cc1 ZINC001246956636 1104752088 /nfs/dbraw/zinc/75/20/88/1104752088.db2.gz ZIDYYWUZLSOTQY-OAHLLOKOSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246962300 1104752389 /nfs/dbraw/zinc/75/23/89/1104752389.db2.gz UDLDTIQSPXKHKW-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246966598 1104753899 /nfs/dbraw/zinc/75/38/99/1104753899.db2.gz KQYYATYZESCREQ-YZGWKJHDSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246970703 1104755378 /nfs/dbraw/zinc/75/53/78/1104755378.db2.gz CDPRVIVWMLCKRB-DYVFJYSZSA-N 2 1 320.427 3.286 20 0 DGADMP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCCNC2)c1 ZINC001246974067 1104756108 /nfs/dbraw/zinc/75/61/08/1104756108.db2.gz QCXLKPKOFUBLMI-VAMGGRTRSA-N 2 1 315.505 3.209 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCCNC2)c1 ZINC001246974067 1104756117 /nfs/dbraw/zinc/75/61/17/1104756117.db2.gz QCXLKPKOFUBLMI-VAMGGRTRSA-N 2 1 315.505 3.209 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(-c3ncccn3)cc1)CC2 ZINC001275426700 1104756355 /nfs/dbraw/zinc/75/63/55/1104756355.db2.gz AOYWEQGXCHTURE-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974976 1104757590 /nfs/dbraw/zinc/75/75/90/1104757590.db2.gz LMEWEFDGNGALRP-PMACEKPBSA-N 2 1 313.489 3.086 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974976 1104757594 /nfs/dbraw/zinc/75/75/94/1104757594.db2.gz LMEWEFDGNGALRP-PMACEKPBSA-N 2 1 313.489 3.086 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccncc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975492 1104758605 /nfs/dbraw/zinc/75/86/05/1104758605.db2.gz UHTUAUZMERMLCO-MHORFTMASA-N 2 1 317.477 3.152 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246977178 1104759823 /nfs/dbraw/zinc/75/98/23/1104759823.db2.gz CJKCLZRDFVVWRH-SZMVWBNQSA-N 2 1 306.425 3.055 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246984307 1104762659 /nfs/dbraw/zinc/76/26/59/1104762659.db2.gz KYOXQBFZVPVMRX-WNRNVDISSA-N 2 1 315.505 3.110 20 0 DGADMP CC[C@H]1C[C@@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC001246988036 1104764702 /nfs/dbraw/zinc/76/47/02/1104764702.db2.gz WJYHNPKCZISXTQ-JYBIWHBTSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3cc(F)ccc3n1)CC2 ZINC001275472398 1104770181 /nfs/dbraw/zinc/77/01/81/1104770181.db2.gz UUMJYHJPUZIMQO-UHFFFAOYSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4cc(F)ccc4n3)C[C@H]2CC1 ZINC001275472348 1104770206 /nfs/dbraw/zinc/77/02/06/1104770206.db2.gz SFRPLDRYRMJTGI-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@H]2CC1 ZINC001275472348 1104770211 /nfs/dbraw/zinc/77/02/11/1104770211.db2.gz SFRPLDRYRMJTGI-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@H]2CC1 ZINC001275472348 1104770214 /nfs/dbraw/zinc/77/02/14/1104770214.db2.gz SFRPLDRYRMJTGI-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@@](C)(C[NH3+])C1)CC2 ZINC001247000347 1104771769 /nfs/dbraw/zinc/77/17/69/1104771769.db2.gz HWXVRRGQMHQXAA-UGSOOPFHSA-N 2 1 322.880 3.267 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCO1 ZINC001247001965 1104772632 /nfs/dbraw/zinc/77/26/32/1104772632.db2.gz JWVGNYXYOICEBW-KRWDZBQOSA-N 2 1 314.473 3.081 20 0 DGADMP CC(C)OCC[C@@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006887 1104774131 /nfs/dbraw/zinc/77/41/31/1104774131.db2.gz WCAHILGPOMBCJH-QGZVFWFLSA-N 2 1 316.489 3.327 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001275693415 1104868010 /nfs/dbraw/zinc/86/80/10/1104868010.db2.gz BIWZVEWYYCOVMO-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001275789156 1104908242 /nfs/dbraw/zinc/90/82/42/1104908242.db2.gz DCBIUIJYERFHTN-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC001275789156 1104908245 /nfs/dbraw/zinc/90/82/45/1104908245.db2.gz DCBIUIJYERFHTN-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC001275789156 1104908248 /nfs/dbraw/zinc/90/82/48/1104908248.db2.gz DCBIUIJYERFHTN-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC001247508461 1104916219 /nfs/dbraw/zinc/91/62/19/1104916219.db2.gz RQEJDVICPUKMBU-INIZCTEOSA-N 2 1 324.384 3.268 20 0 DGADMP COc1cc(F)c(F)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275834935 1104926028 /nfs/dbraw/zinc/92/60/28/1104926028.db2.gz IXUGNKZNFPWFIZ-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001275852818 1104931720 /nfs/dbraw/zinc/93/17/20/1104931720.db2.gz FVWNMCXWLKQMIM-GOOCMWNKSA-N 2 1 315.383 3.442 20 0 DGADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001275852818 1104931723 /nfs/dbraw/zinc/93/17/23/1104931723.db2.gz FVWNMCXWLKQMIM-GOOCMWNKSA-N 2 1 315.383 3.442 20 0 DGADMP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275894432 1104947705 /nfs/dbraw/zinc/94/77/05/1104947705.db2.gz KABAZYFEDZQBAC-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275894432 1104947708 /nfs/dbraw/zinc/94/77/08/1104947708.db2.gz KABAZYFEDZQBAC-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275894432 1104947714 /nfs/dbraw/zinc/94/77/14/1104947714.db2.gz KABAZYFEDZQBAC-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001247697806 1104958587 /nfs/dbraw/zinc/95/85/87/1104958587.db2.gz IPKVLRCXANVAQB-LLVKDONJSA-N 2 1 315.204 3.172 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1C ZINC001275963163 1104970204 /nfs/dbraw/zinc/97/02/04/1104970204.db2.gz PVWLFJATDSRMPJ-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1C ZINC001275963163 1104970205 /nfs/dbraw/zinc/97/02/05/1104970205.db2.gz PVWLFJATDSRMPJ-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)ccc1C ZINC001275963163 1104970210 /nfs/dbraw/zinc/97/02/10/1104970210.db2.gz PVWLFJATDSRMPJ-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)ccc1C ZINC001275963163 1104970212 /nfs/dbraw/zinc/97/02/12/1104970212.db2.gz PVWLFJATDSRMPJ-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC001276032850 1104992206 /nfs/dbraw/zinc/99/22/06/1104992206.db2.gz PSOZWSJVDDABGK-ZBFHGGJFSA-N 2 1 319.518 3.395 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(O)cc(Cl)c3)CC2)C1 ZINC001276125112 1105024269 /nfs/dbraw/zinc/02/42/69/1105024269.db2.gz XPCYFGZPPREILW-UHFFFAOYSA-N 2 1 308.853 3.353 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276132095 1105026098 /nfs/dbraw/zinc/02/60/98/1105026098.db2.gz FLEBMTVSFHECSM-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276132095 1105026101 /nfs/dbraw/zinc/02/61/01/1105026101.db2.gz FLEBMTVSFHECSM-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276132095 1105026105 /nfs/dbraw/zinc/02/61/05/1105026105.db2.gz FLEBMTVSFHECSM-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnccc1C(F)(F)F)CC2 ZINC001276156043 1105032676 /nfs/dbraw/zinc/03/26/76/1105032676.db2.gz MSLDLPSNNNKSGC-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP c1nc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)c[nH]1 ZINC001276203945 1105046518 /nfs/dbraw/zinc/04/65/18/1105046518.db2.gz GFXHOAZPFGJZSH-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP c1ncc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)[nH]1 ZINC001276203945 1105046526 /nfs/dbraw/zinc/04/65/26/1105046526.db2.gz GFXHOAZPFGJZSH-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP c1ncc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)[nH]1 ZINC001276203945 1105046531 /nfs/dbraw/zinc/04/65/31/1105046531.db2.gz GFXHOAZPFGJZSH-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276294803 1105081450 /nfs/dbraw/zinc/08/14/50/1105081450.db2.gz VWWJSDUAWUMEMX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276294803 1105081455 /nfs/dbraw/zinc/08/14/55/1105081455.db2.gz VWWJSDUAWUMEMX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276294803 1105081463 /nfs/dbraw/zinc/08/14/63/1105081463.db2.gz VWWJSDUAWUMEMX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276294803 1105081470 /nfs/dbraw/zinc/08/14/70/1105081470.db2.gz VWWJSDUAWUMEMX-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]CCN2CCC[N@@H+](C)CC2)CC1 ZINC001257404808 1105134982 /nfs/dbraw/zinc/13/49/82/1105134982.db2.gz YSSJHUQRXUGTNX-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1cccc(Br)c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001248619058 1105138069 /nfs/dbraw/zinc/13/80/69/1105138069.db2.gz TVBPRBVRZBXGPD-MRXNPFEDSA-N 2 1 323.278 3.285 20 0 DGADMP Cc1c(Cl)cccc1-c1noc([C@H]([NH3+])CC2CC[NH2+]CC2)n1 ZINC001248896463 1105189146 /nfs/dbraw/zinc/18/91/46/1105189146.db2.gz PWXVDXIUKPTGQP-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP Cc1ccc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)cc1Cl ZINC001248895157 1105189170 /nfs/dbraw/zinc/18/91/70/1105189170.db2.gz AQFQYFGZITVDPB-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001278516881 1105295859 /nfs/dbraw/zinc/29/58/59/1105295859.db2.gz XHDXJDWZBNWWQS-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001278516881 1105295861 /nfs/dbraw/zinc/29/58/61/1105295861.db2.gz XHDXJDWZBNWWQS-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001278516881 1105295864 /nfs/dbraw/zinc/29/58/64/1105295864.db2.gz XHDXJDWZBNWWQS-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)cc[nH+]1 ZINC001137342921 1105491222 /nfs/dbraw/zinc/49/12/22/1105491222.db2.gz SEOAGHFBSBNQKO-UHFFFAOYSA-N 2 1 324.403 3.333 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccc(C(C)(C)C)[nH]3)CC2)cc[nH+]1 ZINC001137379096 1105505568 /nfs/dbraw/zinc/50/55/68/1105505568.db2.gz KKTLVVPVLGESPU-UHFFFAOYSA-N 2 1 312.461 3.338 20 0 DGADMP CCC[NH+](CCC)CCN1CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC001255654515 1105559202 /nfs/dbraw/zinc/55/92/02/1105559202.db2.gz FEYOERFCFJYQTQ-HNNXBMFYSA-N 2 1 323.447 3.067 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N)[nH+]cn1 ZINC001251645965 1105677288 /nfs/dbraw/zinc/67/72/88/1105677288.db2.gz UGPGNMXORIWZRM-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N)[nH+]cn1 ZINC001251645965 1105677293 /nfs/dbraw/zinc/67/72/93/1105677293.db2.gz UGPGNMXORIWZRM-CQSZACIVSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001251974453 1105717245 /nfs/dbraw/zinc/71/72/45/1105717245.db2.gz GPCZUSOVCXTZJO-YYWHXJBOSA-N 2 1 324.468 3.015 20 0 DGADMP O[C@@H](C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1)c1ccccc1 ZINC001251985982 1105719165 /nfs/dbraw/zinc/71/91/65/1105719165.db2.gz QOPWYUOTXQVGRT-IBGZPJMESA-N 2 1 314.473 3.060 20 0 DGADMP O[C@@H](C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)c1ccccc1 ZINC001251985982 1105719170 /nfs/dbraw/zinc/71/91/70/1105719170.db2.gz QOPWYUOTXQVGRT-IBGZPJMESA-N 2 1 314.473 3.060 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1cccc(Br)c1 ZINC001256172268 1105825775 /nfs/dbraw/zinc/82/57/75/1105825775.db2.gz BCFWCMMQBSLMKA-CYBMUJFWSA-N 2 1 313.283 3.441 20 0 DGADMP CCC[C@@H](O)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001252788975 1105830993 /nfs/dbraw/zinc/83/09/93/1105830993.db2.gz KXHKLAGNPWGCSZ-OMQSBVIBSA-N 2 1 318.505 3.042 20 0 DGADMP O[C@@H](C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846311 1105840915 /nfs/dbraw/zinc/84/09/15/1105840915.db2.gz KASQJDAHHFIFLQ-MOPGFXCFSA-N 2 1 320.452 3.200 20 0 DGADMP O[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846311 1105840919 /nfs/dbraw/zinc/84/09/19/1105840919.db2.gz KASQJDAHHFIFLQ-MOPGFXCFSA-N 2 1 320.452 3.200 20 0 DGADMP CC(C)C[NH+](CC(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252917166 1105853856 /nfs/dbraw/zinc/85/38/56/1105853856.db2.gz NIVMJKXWFVGFKI-FQEVSTJZSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[NH+](CC(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917166 1105853862 /nfs/dbraw/zinc/85/38/62/1105853862.db2.gz NIVMJKXWFVGFKI-FQEVSTJZSA-N 2 1 318.505 3.237 20 0 DGADMP O[C@]1(C[NH+]2CCCCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252934554 1105856479 /nfs/dbraw/zinc/85/64/79/1105856479.db2.gz VEZSUAFSLHQYDN-FQEVSTJZSA-N 2 1 316.489 3.280 20 0 DGADMP O[C@]1(C[NH+]2CCCCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252934554 1105856483 /nfs/dbraw/zinc/85/64/83/1105856483.db2.gz VEZSUAFSLHQYDN-FQEVSTJZSA-N 2 1 316.489 3.280 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001253204069 1105902614 /nfs/dbraw/zinc/90/26/14/1105902614.db2.gz PKZRDUDQOBABJD-HNAYVOBHSA-N 2 1 300.446 3.193 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001253383261 1105932820 /nfs/dbraw/zinc/93/28/20/1105932820.db2.gz CMIITTDSDRJMGI-SFHVURJKSA-N 2 1 312.457 3.192 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc2ccccc2c1 ZINC001253403710 1105935671 /nfs/dbraw/zinc/93/56/71/1105935671.db2.gz ILZLLYBTKYHIGS-KDOFPFPSSA-N 2 1 300.446 3.239 20 0 DGADMP CCCCC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001253528546 1105950263 /nfs/dbraw/zinc/95/02/63/1105950263.db2.gz NYNYYKCLWADCPE-ULQDDVLXSA-N 2 1 322.518 3.053 20 0 DGADMP C[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254034231 1106011061 /nfs/dbraw/zinc/01/10/61/1106011061.db2.gz IPVDIEVLUOYILJ-SFHVURJKSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039086 1106012717 /nfs/dbraw/zinc/01/27/17/1106012717.db2.gz YUYWYEMQYCZWDJ-ZWKOTPCHSA-N 2 1 316.489 3.134 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001254488933 1106079870 /nfs/dbraw/zinc/07/98/70/1106079870.db2.gz YSQIDJQCAXYGAR-FQEVSTJZSA-N 3 1 319.537 3.390 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001254488933 1106079874 /nfs/dbraw/zinc/07/98/74/1106079874.db2.gz YSQIDJQCAXYGAR-FQEVSTJZSA-N 3 1 319.537 3.390 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001254496949 1106081656 /nfs/dbraw/zinc/08/16/56/1106081656.db2.gz AXNLPRIKEDJARF-CYBMUJFWSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001254496949 1106081661 /nfs/dbraw/zinc/08/16/61/1106081661.db2.gz AXNLPRIKEDJARF-CYBMUJFWSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001254499638 1106083479 /nfs/dbraw/zinc/08/34/79/1106083479.db2.gz LPFIDAWZRWGWHI-ZDUSSCGKSA-N 2 1 302.340 3.159 20 0 DGADMP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@@H]1CCC[N@@H+](C)CC1 ZINC001254500476 1106083837 /nfs/dbraw/zinc/08/38/37/1106083837.db2.gz HVWAMZKYZSFKGP-GDBMZVCRSA-N 2 1 315.461 3.196 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001254499695 1106084159 /nfs/dbraw/zinc/08/41/59/1106084159.db2.gz NRQPBDMXYZNDRN-KRWDZBQOSA-N 2 1 318.461 3.216 20 0 DGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H]1CCC[N@@H+](C)CC1 ZINC001254506448 1106084731 /nfs/dbraw/zinc/08/47/31/1106084731.db2.gz SGLCVFMMORFCJZ-OAHLLOKOSA-N 2 1 315.461 3.116 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506760 1106085154 /nfs/dbraw/zinc/08/51/54/1106085154.db2.gz ZEEXPUVGBOPETC-CABCVRRESA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506760 1106085158 /nfs/dbraw/zinc/08/51/58/1106085158.db2.gz ZEEXPUVGBOPETC-CABCVRRESA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001254503608 1106086008 /nfs/dbraw/zinc/08/60/08/1106086008.db2.gz NNCGWBQWKPQFCL-GOSISDBHSA-N 3 1 307.526 3.105 20 0 DGADMP CN1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001254503608 1106086012 /nfs/dbraw/zinc/08/60/12/1106086012.db2.gz NNCGWBQWKPQFCL-GOSISDBHSA-N 2 1 307.526 3.105 20 0 DGADMP C[N@H+]1CCC[C@@H](n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001254511703 1106086329 /nfs/dbraw/zinc/08/63/29/1106086329.db2.gz DBICFMGXZHHWDW-OAHLLOKOSA-N 2 1 305.853 3.453 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513420 1106088439 /nfs/dbraw/zinc/08/84/39/1106088439.db2.gz YUPQXKJYMBBHBB-GUDVDZBRSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513420 1106088443 /nfs/dbraw/zinc/08/84/43/1106088443.db2.gz YUPQXKJYMBBHBB-GUDVDZBRSA-N 3 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513420 1106088448 /nfs/dbraw/zinc/08/84/48/1106088448.db2.gz YUPQXKJYMBBHBB-GUDVDZBRSA-N 3 1 307.526 3.233 20 0 DGADMP CN1CCC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513420 1106088452 /nfs/dbraw/zinc/08/84/52/1106088452.db2.gz YUPQXKJYMBBHBB-GUDVDZBRSA-N 2 1 307.526 3.233 20 0 DGADMP CN1CCC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254513420 1106088456 /nfs/dbraw/zinc/08/84/56/1106088456.db2.gz YUPQXKJYMBBHBB-GUDVDZBRSA-N 2 1 307.526 3.233 20 0 DGADMP COc1ccccc1CC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254512853 1106089086 /nfs/dbraw/zinc/08/90/86/1106089086.db2.gz SLLQEKOFZCOXND-QGZVFWFLSA-N 2 1 304.478 3.338 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001254521920 1106090210 /nfs/dbraw/zinc/09/02/10/1106090210.db2.gz ACMWEEFXEHRDQC-RDJZCZTQSA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001254521920 1106090214 /nfs/dbraw/zinc/09/02/14/1106090214.db2.gz ACMWEEFXEHRDQC-RDJZCZTQSA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001254521920 1106090218 /nfs/dbraw/zinc/09/02/18/1106090218.db2.gz ACMWEEFXEHRDQC-RDJZCZTQSA-N 2 1 305.491 3.122 20 0 DGADMP C[C@@H]1CN([C@@H]2CCC[NH+](C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001254516379 1106090443 /nfs/dbraw/zinc/09/04/43/1106090443.db2.gz MBLVLBAOWHZGLH-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@@H]2CCC[N@H+](C)CC2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001254516379 1106090450 /nfs/dbraw/zinc/09/04/50/1106090450.db2.gz MBLVLBAOWHZGLH-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@@H]2CCC[N@@H+](C)CC2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001254516379 1106090456 /nfs/dbraw/zinc/09/04/56/1106090456.db2.gz MBLVLBAOWHZGLH-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254519051 1106090507 /nfs/dbraw/zinc/09/05/07/1106090507.db2.gz GBACBCJVALDTGD-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254519051 1106090515 /nfs/dbraw/zinc/09/05/15/1106090515.db2.gz GBACBCJVALDTGD-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254519051 1106090521 /nfs/dbraw/zinc/09/05/21/1106090521.db2.gz GBACBCJVALDTGD-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254522190 1106090865 /nfs/dbraw/zinc/09/08/65/1106090865.db2.gz DOEQQTFSCCMDPU-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254522190 1106090869 /nfs/dbraw/zinc/09/08/69/1106090869.db2.gz DOEQQTFSCCMDPU-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254522190 1106090875 /nfs/dbraw/zinc/09/08/75/1106090875.db2.gz DOEQQTFSCCMDPU-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254523963 1106092858 /nfs/dbraw/zinc/09/28/58/1106092858.db2.gz STXSNTLQWFHKJR-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254523963 1106092862 /nfs/dbraw/zinc/09/28/62/1106092862.db2.gz STXSNTLQWFHKJR-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254523963 1106092865 /nfs/dbraw/zinc/09/28/65/1106092865.db2.gz STXSNTLQWFHKJR-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc([C@H]2CSCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254523963 1106092870 /nfs/dbraw/zinc/09/28/70/1106092870.db2.gz STXSNTLQWFHKJR-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccccc1OC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527317 1106094446 /nfs/dbraw/zinc/09/44/46/1106094446.db2.gz WSXMEYJLQVXUSS-INIZCTEOSA-N 2 1 318.461 3.023 20 0 DGADMP C[N@H+]1CCC[C@@H](n2nc(C3CC[NH2+]CC3)c3ccccc32)CC1 ZINC001254530954 1106096158 /nfs/dbraw/zinc/09/61/58/1106096158.db2.gz IHYLULCOXZCJAN-MRXNPFEDSA-N 2 1 312.461 3.160 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254533618 1106097383 /nfs/dbraw/zinc/09/73/83/1106097383.db2.gz NTIBSYYPESECCZ-QZTJIDSGSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254533618 1106097388 /nfs/dbraw/zinc/09/73/88/1106097388.db2.gz NTIBSYYPESECCZ-QZTJIDSGSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254533618 1106097389 /nfs/dbraw/zinc/09/73/89/1106097389.db2.gz NTIBSYYPESECCZ-QZTJIDSGSA-N 2 1 316.445 3.094 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1)c1ccccc1 ZINC001254922082 1106155300 /nfs/dbraw/zinc/15/53/00/1106155300.db2.gz KRUTUSNKQMLPHX-MDZRGWNJSA-N 2 1 300.446 3.027 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCSCC2)CC1 ZINC001255085758 1106176025 /nfs/dbraw/zinc/17/60/25/1106176025.db2.gz PLMAVHSSFZCXRQ-WKILWMFISA-N 2 1 305.491 3.049 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255109074 1106182089 /nfs/dbraw/zinc/18/20/89/1106182089.db2.gz NLGPSLCFKPPVME-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP CCCN(CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125593 1106185354 /nfs/dbraw/zinc/18/53/54/1106185354.db2.gz YNAXPQFLEMAHHK-PMOLBWCYSA-N 2 1 315.505 3.243 20 0 DGADMP CC1(O)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135766 1106187545 /nfs/dbraw/zinc/18/75/45/1106187545.db2.gz FLWMMCAAXKVHBS-BWTSREIZSA-N 2 1 314.473 3.029 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001255249060 1106209805 /nfs/dbraw/zinc/20/98/05/1106209805.db2.gz FNMRSKBBHLYTRW-UHFFFAOYSA-N 2 1 310.482 3.092 20 0 DGADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCSC2)CC1 ZINC001255296314 1106217420 /nfs/dbraw/zinc/21/74/20/1106217420.db2.gz SDVNUHMAUPPLSQ-KRWDZBQOSA-N 2 1 308.466 3.227 20 0 DGADMP C[C@@]1(O)CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255376494 1106235864 /nfs/dbraw/zinc/23/58/64/1106235864.db2.gz BYBXRYCLNXQJOK-SLFFLAALSA-N 2 1 316.489 3.324 20 0 DGADMP OCc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384227 1106237479 /nfs/dbraw/zinc/23/74/79/1106237479.db2.gz WFSZNUQJQIBJNG-NRFANRHFSA-N 2 1 324.468 3.323 20 0 DGADMP OCCCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384190 1106237810 /nfs/dbraw/zinc/23/78/10/1106237810.db2.gz VFDYLVSMQMFLCQ-LJQANCHMSA-N 2 1 304.478 3.183 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383985 1106238409 /nfs/dbraw/zinc/23/84/09/1106238409.db2.gz RBNOMGHLGPIRFQ-UXHICEINSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383985 1106238413 /nfs/dbraw/zinc/23/84/13/1106238413.db2.gz RBNOMGHLGPIRFQ-UXHICEINSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383985 1106238418 /nfs/dbraw/zinc/23/84/18/1106238418.db2.gz RBNOMGHLGPIRFQ-UXHICEINSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@@H](N[C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383985 1106238422 /nfs/dbraw/zinc/23/84/22/1106238422.db2.gz RBNOMGHLGPIRFQ-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@@H](N[C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255383985 1106238428 /nfs/dbraw/zinc/23/84/28/1106238428.db2.gz RBNOMGHLGPIRFQ-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255383985 1106238432 /nfs/dbraw/zinc/23/84/32/1106238432.db2.gz RBNOMGHLGPIRFQ-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383985 1106238434 /nfs/dbraw/zinc/23/84/34/1106238434.db2.gz RBNOMGHLGPIRFQ-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@@H]3CCCCO3)CC2)cc1 ZINC001255384573 1106238443 /nfs/dbraw/zinc/23/84/43/1106238443.db2.gz ZGAZEUQPCPAWEJ-MOPGFXCFSA-N 2 1 302.462 3.200 20 0 DGADMP CC(C)(O)C(C)(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255391681 1106238941 /nfs/dbraw/zinc/23/89/41/1106238941.db2.gz BIGFXCFFXFOQDA-KRWDZBQOSA-N 2 1 304.478 3.180 20 0 DGADMP CC(C)(O)C(C)(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255391682 1106239250 /nfs/dbraw/zinc/23/92/50/1106239250.db2.gz BIGFXCFFXFOQDA-QGZVFWFLSA-N 2 1 304.478 3.180 20 0 DGADMP Fc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC001255389342 1106239811 /nfs/dbraw/zinc/23/98/11/1106239811.db2.gz LNLBAKSZCWEXQG-GOSISDBHSA-N 2 1 313.420 3.365 20 0 DGADMP Fc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255389342 1106239813 /nfs/dbraw/zinc/23/98/13/1106239813.db2.gz LNLBAKSZCWEXQG-GOSISDBHSA-N 2 1 313.420 3.365 20 0 DGADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255396724 1106240681 /nfs/dbraw/zinc/24/06/81/1106240681.db2.gz AVDWJRKUQBUIFL-VAMGGRTRSA-N 2 1 316.489 3.276 20 0 DGADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255396724 1106240684 /nfs/dbraw/zinc/24/06/84/1106240684.db2.gz AVDWJRKUQBUIFL-VAMGGRTRSA-N 2 1 316.489 3.276 20 0 DGADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396724 1106240686 /nfs/dbraw/zinc/24/06/86/1106240686.db2.gz AVDWJRKUQBUIFL-VAMGGRTRSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOC1 ZINC001255394071 1106241092 /nfs/dbraw/zinc/24/10/92/1106241092.db2.gz VZNDBHHNEDFIGE-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC001255397285 1106241386 /nfs/dbraw/zinc/24/13/86/1106241386.db2.gz DUICDSOBZONXQA-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H]1CO ZINC001255397285 1106241389 /nfs/dbraw/zinc/24/13/89/1106241389.db2.gz DUICDSOBZONXQA-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H]1CO ZINC001255397285 1106241396 /nfs/dbraw/zinc/24/13/96/1106241396.db2.gz DUICDSOBZONXQA-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)O ZINC001255398993 1106243066 /nfs/dbraw/zinc/24/30/66/1106243066.db2.gz NUDONLHULQCHOR-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@]1(C)O ZINC001255398993 1106243071 /nfs/dbraw/zinc/24/30/71/1106243071.db2.gz NUDONLHULQCHOR-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@]1(C)O ZINC001255398993 1106243075 /nfs/dbraw/zinc/24/30/75/1106243075.db2.gz NUDONLHULQCHOR-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001255398267 1106243234 /nfs/dbraw/zinc/24/32/34/1106243234.db2.gz JEPLEHAPQULEHM-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001255398267 1106243239 /nfs/dbraw/zinc/24/32/39/1106243239.db2.gz JEPLEHAPQULEHM-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001255398267 1106243245 /nfs/dbraw/zinc/24/32/45/1106243245.db2.gz JEPLEHAPQULEHM-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398321 1106243763 /nfs/dbraw/zinc/24/37/63/1106243763.db2.gz JNSWTVASMAWJQM-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398321 1106243766 /nfs/dbraw/zinc/24/37/66/1106243766.db2.gz JNSWTVASMAWJQM-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398321 1106243768 /nfs/dbraw/zinc/24/37/68/1106243768.db2.gz JNSWTVASMAWJQM-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255408331 1106245803 /nfs/dbraw/zinc/24/58/03/1106245803.db2.gz KQOCYSQPNMXSKK-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255408331 1106245805 /nfs/dbraw/zinc/24/58/05/1106245805.db2.gz KQOCYSQPNMXSKK-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255408331 1106245807 /nfs/dbraw/zinc/24/58/07/1106245807.db2.gz KQOCYSQPNMXSKK-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408444 1106246323 /nfs/dbraw/zinc/24/63/23/1106246323.db2.gz MLDHFJYSUGDVCO-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408444 1106246324 /nfs/dbraw/zinc/24/63/24/1106246324.db2.gz MLDHFJYSUGDVCO-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408444 1106246327 /nfs/dbraw/zinc/24/63/27/1106246327.db2.gz MLDHFJYSUGDVCO-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCCC34COC4)CC2)cc1 ZINC001255406446 1106247193 /nfs/dbraw/zinc/24/71/93/1106247193.db2.gz SLLXKPVDTJPACO-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCCC34COC4)CC2)cc1 ZINC001255406446 1106247195 /nfs/dbraw/zinc/24/71/95/1106247195.db2.gz SLLXKPVDTJPACO-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCCCC34COC4)CC2)cc1 ZINC001255406446 1106247199 /nfs/dbraw/zinc/24/71/99/1106247199.db2.gz SLLXKPVDTJPACO-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCCCC34COC4)CC2)cc1 ZINC001255406446 1106247202 /nfs/dbraw/zinc/24/72/02/1106247202.db2.gz SLLXKPVDTJPACO-LJQANCHMSA-N 2 1 314.473 3.296 20 0 DGADMP C[C@H](CC(F)(F)F)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255644026 1106283120 /nfs/dbraw/zinc/28/31/20/1106283120.db2.gz JSGNBMGWBPABHZ-BPLDGKMQSA-N 2 1 315.383 3.494 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001255658515 1106287397 /nfs/dbraw/zinc/28/73/97/1106287397.db2.gz RFCVJUFOXYFABA-CWRNSKLLSA-N 2 1 312.379 3.391 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001255658515 1106287401 /nfs/dbraw/zinc/28/74/01/1106287401.db2.gz RFCVJUFOXYFABA-CWRNSKLLSA-N 2 1 312.379 3.391 20 0 DGADMP C[C@@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001255658515 1106287402 /nfs/dbraw/zinc/28/74/02/1106287402.db2.gz RFCVJUFOXYFABA-CWRNSKLLSA-N 2 1 312.379 3.391 20 0 DGADMP C[C@@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001255658515 1106287406 /nfs/dbraw/zinc/28/74/06/1106287406.db2.gz RFCVJUFOXYFABA-CWRNSKLLSA-N 2 1 312.379 3.391 20 0 DGADMP C[C@H](CC(F)(F)F)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001255658514 1106287850 /nfs/dbraw/zinc/28/78/50/1106287850.db2.gz RFCVJUFOXYFABA-BMFZPTHFSA-N 2 1 312.379 3.391 20 0 DGADMP C[C@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001255658514 1106287852 /nfs/dbraw/zinc/28/78/52/1106287852.db2.gz RFCVJUFOXYFABA-BMFZPTHFSA-N 2 1 312.379 3.391 20 0 DGADMP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001255658514 1106287856 /nfs/dbraw/zinc/28/78/56/1106287856.db2.gz RFCVJUFOXYFABA-BMFZPTHFSA-N 2 1 312.379 3.391 20 0 DGADMP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001255658514 1106287860 /nfs/dbraw/zinc/28/78/60/1106287860.db2.gz RFCVJUFOXYFABA-BMFZPTHFSA-N 2 1 312.379 3.391 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255677518 1106292647 /nfs/dbraw/zinc/29/26/47/1106292647.db2.gz OQZULTKNMTXADT-BBCBXFPWSA-N 2 1 306.494 3.140 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255677518 1106292652 /nfs/dbraw/zinc/29/26/52/1106292652.db2.gz OQZULTKNMTXADT-BBCBXFPWSA-N 2 1 306.494 3.140 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255677518 1106292658 /nfs/dbraw/zinc/29/26/58/1106292658.db2.gz OQZULTKNMTXADT-BBCBXFPWSA-N 2 1 306.494 3.140 20 0 DGADMP COc1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001255680051 1106293744 /nfs/dbraw/zinc/29/37/44/1106293744.db2.gz FJMHEQBLMKKNMR-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](CCO)c1cccc(Cl)c1 ZINC001255942784 1106345059 /nfs/dbraw/zinc/34/50/59/1106345059.db2.gz BAXYPRLZJHYAJZ-RHSMWYFYSA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC001255942083 1106345196 /nfs/dbraw/zinc/34/51/96/1106345196.db2.gz BXNMEQJORZMZRS-RHSMWYFYSA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001255939699 1106345357 /nfs/dbraw/zinc/34/53/57/1106345357.db2.gz IDOFBMMEOIOYLG-GOSISDBHSA-N 3 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC001255948954 1106346896 /nfs/dbraw/zinc/34/68/96/1106346896.db2.gz RWQWFABFEJTNBJ-LBPRGKRZSA-N 2 1 303.372 3.310 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255960479 1106349621 /nfs/dbraw/zinc/34/96/21/1106349621.db2.gz HWOSWALXOKHKSK-IBGZPJMESA-N 2 1 317.521 3.315 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001255955470 1106349647 /nfs/dbraw/zinc/34/96/47/1106349647.db2.gz UONNKYNJBXFCRF-MJGOQNOKSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001255955779 1106349729 /nfs/dbraw/zinc/34/97/29/1106349729.db2.gz DNNCPNBYTHCSJU-QLFBSQMISA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001255955779 1106349731 /nfs/dbraw/zinc/34/97/31/1106349731.db2.gz DNNCPNBYTHCSJU-QLFBSQMISA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1cncc(OC)c1)C1CC1 ZINC001255955509 1106350053 /nfs/dbraw/zinc/35/00/53/1106350053.db2.gz VBNCZCMPJBVJPA-KBXCAEBGSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2ccccn2)CC1 ZINC001255960793 1106350691 /nfs/dbraw/zinc/35/06/91/1106350691.db2.gz JAISWEVBHLKECT-MRXNPFEDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001255960900 1106350730 /nfs/dbraw/zinc/35/07/30/1106350730.db2.gz JOTQDIBGHCZNHP-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001255960900 1106350735 /nfs/dbraw/zinc/35/07/35/1106350735.db2.gz JOTQDIBGHCZNHP-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001255965277 1106351273 /nfs/dbraw/zinc/35/12/73/1106351273.db2.gz ZGIKWGLPUGLSHU-KRWDZBQOSA-N 2 1 319.493 3.183 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001255965277 1106351277 /nfs/dbraw/zinc/35/12/77/1106351277.db2.gz ZGIKWGLPUGLSHU-KRWDZBQOSA-N 2 1 319.493 3.183 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001255965735 1106351904 /nfs/dbraw/zinc/35/19/04/1106351904.db2.gz HWIWIBCQVOQAHZ-PXNSSMCTSA-N 2 1 315.505 3.022 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965762 1106352376 /nfs/dbraw/zinc/35/23/76/1106352376.db2.gz INOMDEHJSCTFGL-GBESFXJTSA-N 2 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255965762 1106352378 /nfs/dbraw/zinc/35/23/78/1106352378.db2.gz INOMDEHJSCTFGL-GBESFXJTSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255965762 1106352382 /nfs/dbraw/zinc/35/23/82/1106352382.db2.gz INOMDEHJSCTFGL-GBESFXJTSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255965762 1106352387 /nfs/dbraw/zinc/35/23/87/1106352387.db2.gz INOMDEHJSCTFGL-GBESFXJTSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965762 1106352391 /nfs/dbraw/zinc/35/23/91/1106352391.db2.gz INOMDEHJSCTFGL-GBESFXJTSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965761 1106352453 /nfs/dbraw/zinc/35/24/53/1106352453.db2.gz INOMDEHJSCTFGL-FHWLQOOXSA-N 2 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255965761 1106352458 /nfs/dbraw/zinc/35/24/58/1106352458.db2.gz INOMDEHJSCTFGL-FHWLQOOXSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255965761 1106352462 /nfs/dbraw/zinc/35/24/62/1106352462.db2.gz INOMDEHJSCTFGL-FHWLQOOXSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255965761 1106352465 /nfs/dbraw/zinc/35/24/65/1106352465.db2.gz INOMDEHJSCTFGL-FHWLQOOXSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255965761 1106352468 /nfs/dbraw/zinc/35/24/68/1106352468.db2.gz INOMDEHJSCTFGL-FHWLQOOXSA-N 3 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC001255970789 1106352897 /nfs/dbraw/zinc/35/28/97/1106352897.db2.gz FWGFPJIZMLQBAS-OAHLLOKOSA-N 2 1 306.450 3.358 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC001255970789 1106352899 /nfs/dbraw/zinc/35/28/99/1106352899.db2.gz FWGFPJIZMLQBAS-OAHLLOKOSA-N 2 1 306.450 3.358 20 0 DGADMP c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)nc1 ZINC001256069169 1106363874 /nfs/dbraw/zinc/36/38/74/1106363874.db2.gz UAHKHDOXVWHCGT-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP c1ccc(-c2cccnc2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256070081 1106364538 /nfs/dbraw/zinc/36/45/38/1106364538.db2.gz WYSUFZUHMGORAZ-UHFFFAOYSA-N 2 1 307.441 3.465 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@H](CCC[NH3+])C2)c1 ZINC001256156123 1106380826 /nfs/dbraw/zinc/38/08/26/1106380826.db2.gz LOVHDFGUILRUIN-DLBZAZTESA-N 2 1 304.478 3.467 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](CC2CCOCC2)c2ccccc2F)CC1 ZINC001256202069 1106390273 /nfs/dbraw/zinc/39/02/73/1106390273.db2.gz WLPWIZUBYYQNCB-IBGZPJMESA-N 2 1 320.452 3.367 20 0 DGADMP C[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001256201257 1106390293 /nfs/dbraw/zinc/39/02/93/1106390293.db2.gz AOWJHOBZPRGTHL-UHFFFAOYSA-N 2 1 308.853 3.030 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(COc3ccc(F)cc3)CC2)CC1 ZINC001256208760 1106390935 /nfs/dbraw/zinc/39/09/35/1106390935.db2.gz OPAUWZOOJXHZNE-UHFFFAOYSA-N 2 1 306.425 3.011 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256300024 1106401669 /nfs/dbraw/zinc/40/16/69/1106401669.db2.gz KNFLVFOKVRFBDO-UHFFFAOYSA-N 2 1 318.852 3.188 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001256404438 1106416110 /nfs/dbraw/zinc/41/61/10/1106416110.db2.gz CQMJVEBJXCSINN-HNNXBMFYSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001256414392 1106417674 /nfs/dbraw/zinc/41/76/74/1106417674.db2.gz LULKVUFJJRMGGW-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001256414392 1106417676 /nfs/dbraw/zinc/41/76/76/1106417676.db2.gz LULKVUFJJRMGGW-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP CCOC1CCC(N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001256446869 1106424348 /nfs/dbraw/zinc/42/43/48/1106424348.db2.gz IWUBTFYKSGPYQC-UHFFFAOYSA-N 2 1 317.477 3.296 20 0 DGADMP CCCN(CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522152 1106433091 /nfs/dbraw/zinc/43/30/91/1106433091.db2.gz DZYMHBKFAQDFSB-HKUYNNGSSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522152 1106433097 /nfs/dbraw/zinc/43/30/97/1106433097.db2.gz DZYMHBKFAQDFSB-HKUYNNGSSA-N 2 1 303.494 3.100 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256522152 1106433101 /nfs/dbraw/zinc/43/31/01/1106433101.db2.gz DZYMHBKFAQDFSB-HKUYNNGSSA-N 2 1 303.494 3.100 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523033 1106433517 /nfs/dbraw/zinc/43/35/17/1106433517.db2.gz LUPHPZJBVJGVTN-NZSAHSFTSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523033 1106433521 /nfs/dbraw/zinc/43/35/21/1106433521.db2.gz LUPHPZJBVJGVTN-NZSAHSFTSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529092 1106433845 /nfs/dbraw/zinc/43/38/45/1106433845.db2.gz QCTWMYCNFMKPFR-UTKZUKDTSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529092 1106433847 /nfs/dbraw/zinc/43/38/47/1106433847.db2.gz QCTWMYCNFMKPFR-UTKZUKDTSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC001256525864 1106434756 /nfs/dbraw/zinc/43/47/56/1106434756.db2.gz GFIGXQPYTVZRMO-BPQIPLTHSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC001256525864 1106434757 /nfs/dbraw/zinc/43/47/57/1106434757.db2.gz GFIGXQPYTVZRMO-BPQIPLTHSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)N([C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C[NH3+] ZINC001256536598 1106436186 /nfs/dbraw/zinc/43/61/86/1106436186.db2.gz IHBAZFBXASQQQF-HKUYNNGSSA-N 2 1 317.521 3.487 20 0 DGADMP C[C@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537421 1106438023 /nfs/dbraw/zinc/43/80/23/1106438023.db2.gz NXYNOUFHXDBWFE-WMZOPIPTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537421 1106438025 /nfs/dbraw/zinc/43/80/25/1106438025.db2.gz NXYNOUFHXDBWFE-WMZOPIPTSA-N 2 1 315.505 3.112 20 0 DGADMP CO[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540013 1106438419 /nfs/dbraw/zinc/43/84/19/1106438419.db2.gz ZDLDJGHKETWHCF-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540013 1106438421 /nfs/dbraw/zinc/43/84/21/1106438421.db2.gz ZDLDJGHKETWHCF-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540013 1106438424 /nfs/dbraw/zinc/43/84/24/1106438424.db2.gz ZDLDJGHKETWHCF-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256540013 1106438427 /nfs/dbraw/zinc/43/84/27/1106438427.db2.gz ZDLDJGHKETWHCF-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H](CO)CC[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC001256544415 1106439707 /nfs/dbraw/zinc/43/97/07/1106439707.db2.gz YCRPUDFAPCTOLO-KVPLUYHFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H](CO)CC[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001256544415 1106439708 /nfs/dbraw/zinc/43/97/08/1106439708.db2.gz YCRPUDFAPCTOLO-KVPLUYHFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](CO)CC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544415 1106439711 /nfs/dbraw/zinc/43/97/11/1106439711.db2.gz YCRPUDFAPCTOLO-KVPLUYHFSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](CO)CC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544415 1106439713 /nfs/dbraw/zinc/43/97/13/1106439713.db2.gz YCRPUDFAPCTOLO-KVPLUYHFSA-N 2 1 316.489 3.132 20 0 DGADMP COCC[N@@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256551701 1106440582 /nfs/dbraw/zinc/44/05/82/1106440582.db2.gz UVRMXHNTTBNMAW-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@H+](C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551701 1106440584 /nfs/dbraw/zinc/44/05/84/1106440584.db2.gz UVRMXHNTTBNMAW-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@@H+](C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551701 1106440585 /nfs/dbraw/zinc/44/05/85/1106440585.db2.gz UVRMXHNTTBNMAW-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551701 1106440588 /nfs/dbraw/zinc/44/05/88/1106440588.db2.gz UVRMXHNTTBNMAW-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551701 1106440590 /nfs/dbraw/zinc/44/05/90/1106440590.db2.gz UVRMXHNTTBNMAW-IEBWSBKVSA-N 2 1 304.478 3.396 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552834 1106440967 /nfs/dbraw/zinc/44/09/67/1106440967.db2.gz DZINTWQACFYLHO-PKOBYXMFSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552834 1106440971 /nfs/dbraw/zinc/44/09/71/1106440971.db2.gz DZINTWQACFYLHO-PKOBYXMFSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256554755 1106442045 /nfs/dbraw/zinc/44/20/45/1106442045.db2.gz QHHBAMIVZHMDIF-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256554755 1106442048 /nfs/dbraw/zinc/44/20/48/1106442048.db2.gz QHHBAMIVZHMDIF-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554755 1106442052 /nfs/dbraw/zinc/44/20/52/1106442052.db2.gz QHHBAMIVZHMDIF-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554755 1106442054 /nfs/dbraw/zinc/44/20/54/1106442054.db2.gz QHHBAMIVZHMDIF-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557753 1106443815 /nfs/dbraw/zinc/44/38/15/1106443815.db2.gz OARDALONVVQZHI-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001256557753 1106443818 /nfs/dbraw/zinc/44/38/18/1106443818.db2.gz OARDALONVVQZHI-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557753 1106443821 /nfs/dbraw/zinc/44/38/21/1106443821.db2.gz OARDALONVVQZHI-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557753 1106443822 /nfs/dbraw/zinc/44/38/22/1106443822.db2.gz OARDALONVVQZHI-QRQLOZEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256555076 1106443863 /nfs/dbraw/zinc/44/38/63/1106443863.db2.gz SWWNRCZWJQWIOI-UJCHZGTJSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256555076 1106443865 /nfs/dbraw/zinc/44/38/65/1106443865.db2.gz SWWNRCZWJQWIOI-UJCHZGTJSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555076 1106443866 /nfs/dbraw/zinc/44/38/66/1106443866.db2.gz SWWNRCZWJQWIOI-UJCHZGTJSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555076 1106443868 /nfs/dbraw/zinc/44/38/68/1106443868.db2.gz SWWNRCZWJQWIOI-UJCHZGTJSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256555074 1106443932 /nfs/dbraw/zinc/44/39/32/1106443932.db2.gz SWWNRCZWJQWIOI-GBBGEASQSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256555074 1106443934 /nfs/dbraw/zinc/44/39/34/1106443934.db2.gz SWWNRCZWJQWIOI-GBBGEASQSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555074 1106443936 /nfs/dbraw/zinc/44/39/36/1106443936.db2.gz SWWNRCZWJQWIOI-GBBGEASQSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555074 1106443937 /nfs/dbraw/zinc/44/39/37/1106443937.db2.gz SWWNRCZWJQWIOI-GBBGEASQSA-N 2 1 302.437 3.472 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256572150 1106447764 /nfs/dbraw/zinc/44/77/64/1106447764.db2.gz OVZZPBDBADDZIG-HNNXBMFYSA-N 2 1 324.509 3.303 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256572150 1106447766 /nfs/dbraw/zinc/44/77/66/1106447766.db2.gz OVZZPBDBADDZIG-HNNXBMFYSA-N 2 1 324.509 3.303 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC001256577920 1106449109 /nfs/dbraw/zinc/44/91/09/1106449109.db2.gz YMFURTUTFKHWNL-CVEARBPZSA-N 2 1 324.509 3.161 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256577256 1106449362 /nfs/dbraw/zinc/44/93/62/1106449362.db2.gz GNBRBUNDZGCTKA-QGZVFWFLSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)n1 ZINC001256577256 1106449365 /nfs/dbraw/zinc/44/93/65/1106449365.db2.gz GNBRBUNDZGCTKA-QGZVFWFLSA-N 2 1 317.477 3.106 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001256577860 1106449533 /nfs/dbraw/zinc/44/95/33/1106449533.db2.gz UPUATIQNWDCHHR-GOSISDBHSA-N 2 1 317.477 3.188 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001256577860 1106449535 /nfs/dbraw/zinc/44/95/35/1106449535.db2.gz UPUATIQNWDCHHR-GOSISDBHSA-N 2 1 317.477 3.188 20 0 DGADMP Cc1ccc(O[C@H]2CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)nc1 ZINC001256576346 1106449552 /nfs/dbraw/zinc/44/95/52/1106449552.db2.gz GVTTXXNJCOHKLG-KRWDZBQOSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1ccc(O[C@H]2CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)nc1 ZINC001256576346 1106449556 /nfs/dbraw/zinc/44/95/56/1106449556.db2.gz GVTTXXNJCOHKLG-KRWDZBQOSA-N 2 1 317.477 3.106 20 0 DGADMP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600794 1106451626 /nfs/dbraw/zinc/45/16/26/1106451626.db2.gz LFSRXRJYFLEOLG-KESTWPANSA-N 3 1 315.505 3.113 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ncccc43)CC2)cc1 ZINC001256600868 1106452149 /nfs/dbraw/zinc/45/21/49/1106452149.db2.gz ILMWLIFEOGXTJM-HXUWFJFHSA-N 2 1 307.441 3.323 20 0 DGADMP CCc1cc2c(cc1CC)CC([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256620422 1106455119 /nfs/dbraw/zinc/45/51/19/1106455119.db2.gz XHKLXWXBRCSFBV-SEJPIABJSA-N 2 1 312.501 3.493 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001256629691 1106456966 /nfs/dbraw/zinc/45/69/66/1106456966.db2.gz PHFDKUWHQKXHDK-XNHLSEOASA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001256629691 1106456970 /nfs/dbraw/zinc/45/69/70/1106456970.db2.gz PHFDKUWHQKXHDK-XNHLSEOASA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001256629691 1106456973 /nfs/dbraw/zinc/45/69/73/1106456973.db2.gz PHFDKUWHQKXHDK-XNHLSEOASA-N 2 1 300.446 3.110 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001256627590 1106457220 /nfs/dbraw/zinc/45/72/20/1106457220.db2.gz HJHSKYORTZZMKV-NHJHPMQKSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001256627590 1106457222 /nfs/dbraw/zinc/45/72/22/1106457222.db2.gz HJHSKYORTZZMKV-NHJHPMQKSA-N 2 1 314.473 3.463 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+](C(C)C)C1CCN(C)CC1)C2 ZINC001256659258 1106464311 /nfs/dbraw/zinc/46/43/11/1106464311.db2.gz WENHMKGEWWECLX-GOSISDBHSA-N 2 1 316.489 3.357 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256688469 1106469818 /nfs/dbraw/zinc/46/98/18/1106469818.db2.gz ALIHAAUPVGXGRM-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1F)C1CCC([NH+]2CCOCC2)CC1 ZINC001256696238 1106470355 /nfs/dbraw/zinc/47/03/55/1106470355.db2.gz YTLKLNJALDQVTD-UHFFFAOYSA-N 2 1 324.415 3.040 20 0 DGADMP c1ccc([C@H]2CC[N@@H+]2C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256699214 1106470414 /nfs/dbraw/zinc/47/04/14/1106470414.db2.gz VSJAGDZTTZBBEZ-CTWPCTMYSA-N 2 1 300.446 3.077 20 0 DGADMP CC[N@@H+](Cc1ccccc1F)C1CCC([NH+]2CCOCC2)CC1 ZINC001256696170 1106470514 /nfs/dbraw/zinc/47/05/14/1106470514.db2.gz XCSUOQJPYUIEKY-UHFFFAOYSA-N 2 1 320.452 3.291 20 0 DGADMP CC[N@@H+](Cc1cccs1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695734 1106470734 /nfs/dbraw/zinc/47/07/34/1106470734.db2.gz KWBMONGDZQVXEG-UHFFFAOYSA-N 2 1 308.491 3.213 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001256730534 1106475073 /nfs/dbraw/zinc/47/50/73/1106475073.db2.gz UHAIMZDQCOXPNU-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001256730534 1106475077 /nfs/dbraw/zinc/47/50/77/1106475077.db2.gz UHAIMZDQCOXPNU-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001256746318 1106478774 /nfs/dbraw/zinc/47/87/74/1106478774.db2.gz VCFQPAIPWTVGDZ-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256746318 1106478775 /nfs/dbraw/zinc/47/87/75/1106478775.db2.gz VCFQPAIPWTVGDZ-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001256746318 1106478776 /nfs/dbraw/zinc/47/87/76/1106478776.db2.gz VCFQPAIPWTVGDZ-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1ccncc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256745068 1106479145 /nfs/dbraw/zinc/47/91/45/1106479145.db2.gz GBMPEHMUNDFDID-WIYYLYMNSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256745068 1106479148 /nfs/dbraw/zinc/47/91/48/1106479148.db2.gz GBMPEHMUNDFDID-WIYYLYMNSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256745068 1106479152 /nfs/dbraw/zinc/47/91/52/1106479152.db2.gz GBMPEHMUNDFDID-WIYYLYMNSA-N 2 1 323.484 3.467 20 0 DGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccccc1Br ZINC001256826431 1106492481 /nfs/dbraw/zinc/49/24/81/1106492481.db2.gz LFZFTSARHFUJCK-ZDUSSCGKSA-N 2 1 313.283 3.441 20 0 DGADMP Clc1cc2c(cn1)C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256865561 1106499503 /nfs/dbraw/zinc/49/95/03/1106499503.db2.gz KBUXWJXSEBOXQP-UHFFFAOYSA-N 2 1 314.820 3.115 20 0 DGADMP Clc1cc2c(cn1)C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256865561 1106499505 /nfs/dbraw/zinc/49/95/05/1106499505.db2.gz KBUXWJXSEBOXQP-UHFFFAOYSA-N 2 1 314.820 3.115 20 0 DGADMP Cc1ccnc(CCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256900777 1106505540 /nfs/dbraw/zinc/50/55/40/1106505540.db2.gz AUJLSLRJUCFQQF-SFHVURJKSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1ccnc(CCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256900777 1106505542 /nfs/dbraw/zinc/50/55/42/1106505542.db2.gz AUJLSLRJUCFQQF-SFHVURJKSA-N 2 1 301.478 3.319 20 0 DGADMP CCOC(=O)CCCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900112 1106505612 /nfs/dbraw/zinc/50/56/12/1106505612.db2.gz IWBVTAAVRCKTLU-KRWDZBQOSA-N 2 1 324.509 3.497 20 0 DGADMP CCOC(=O)CCCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900112 1106505616 /nfs/dbraw/zinc/50/56/16/1106505616.db2.gz IWBVTAAVRCKTLU-KRWDZBQOSA-N 2 1 324.509 3.497 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCC[NH+](C2CCCC2)C1 ZINC001256900120 1106506300 /nfs/dbraw/zinc/50/63/00/1106506300.db2.gz JABAQYRQJPJSJW-MSOLQXFVSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900120 1106506302 /nfs/dbraw/zinc/50/63/02/1106506302.db2.gz JABAQYRQJPJSJW-MSOLQXFVSA-N 2 1 307.526 3.248 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900120 1106506303 /nfs/dbraw/zinc/50/63/03/1106506303.db2.gz JABAQYRQJPJSJW-MSOLQXFVSA-N 2 1 307.526 3.248 20 0 DGADMP Oc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256903354 1106507209 /nfs/dbraw/zinc/50/72/09/1106507209.db2.gz AVVJZRQTKFGNCU-MSOLQXFVSA-N 2 1 314.473 3.246 20 0 DGADMP Oc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC001256903354 1106507213 /nfs/dbraw/zinc/50/72/13/1106507213.db2.gz AVVJZRQTKFGNCU-MSOLQXFVSA-N 2 1 314.473 3.246 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256908132 1106509209 /nfs/dbraw/zinc/50/92/09/1106509209.db2.gz LOQLYZKNDQZZSQ-IRXDYDNUSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)C[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908132 1106509212 /nfs/dbraw/zinc/50/92/12/1106509212.db2.gz LOQLYZKNDQZZSQ-IRXDYDNUSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)C[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908132 1106509214 /nfs/dbraw/zinc/50/92/14/1106509214.db2.gz LOQLYZKNDQZZSQ-IRXDYDNUSA-N 2 1 307.526 3.103 20 0 DGADMP C(C1CCC1)[NH+]1CCC(N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909135 1106509670 /nfs/dbraw/zinc/50/96/70/1106509670.db2.gz SAXKZRPNBRGNND-IBGZPJMESA-N 2 1 319.537 3.248 20 0 DGADMP C[NH+]1CCC2(CCN([C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001256922569 1106512493 /nfs/dbraw/zinc/51/24/93/1106512493.db2.gz LLQWAXHFQTZVLJ-LJQANCHMSA-N 2 1 319.537 3.201 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001257217566 1106553512 /nfs/dbraw/zinc/55/35/12/1106553512.db2.gz SXYIIYWXTDUSPI-HOJAQTOUSA-N 2 1 320.521 3.386 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001257217566 1106553515 /nfs/dbraw/zinc/55/35/15/1106553515.db2.gz SXYIIYWXTDUSPI-HOJAQTOUSA-N 2 1 320.521 3.386 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221914 1106554078 /nfs/dbraw/zinc/55/40/78/1106554078.db2.gz KVFPFRKOQHDXII-OAHLLOKOSA-N 2 1 320.481 3.074 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221914 1106554080 /nfs/dbraw/zinc/55/40/80/1106554080.db2.gz KVFPFRKOQHDXII-OAHLLOKOSA-N 2 1 320.481 3.074 20 0 DGADMP CCC[C@@H](CC)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001257260408 1106557543 /nfs/dbraw/zinc/55/75/43/1106557543.db2.gz RYELCPXXAKXJHR-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@@H](CC)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001257260408 1106557546 /nfs/dbraw/zinc/55/75/46/1106557546.db2.gz RYELCPXXAKXJHR-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001257382153 1106578188 /nfs/dbraw/zinc/57/81/88/1106578188.db2.gz ZMUCDNDMEZMRRN-IAGOWNOFSA-N 2 1 324.509 3.495 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001257382153 1106578191 /nfs/dbraw/zinc/57/81/91/1106578191.db2.gz ZMUCDNDMEZMRRN-IAGOWNOFSA-N 2 1 324.509 3.495 20 0 DGADMP CCC(C)(C)C1CCC(N2CC[NH+](CCCC[NH3+])CC2)CC1 ZINC001257406138 1106583260 /nfs/dbraw/zinc/58/32/60/1106583260.db2.gz XEGGLKCYNGRNFT-UHFFFAOYSA-N 2 1 309.542 3.338 20 0 DGADMP CCCC[C@@H](CC)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001257409643 1106583783 /nfs/dbraw/zinc/58/37/83/1106583783.db2.gz DOKUMMLHORQIFG-HXUWFJFHSA-N 2 1 317.521 3.492 20 0 DGADMP CCCC[C@H](CC)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001257426939 1106587747 /nfs/dbraw/zinc/58/77/47/1106587747.db2.gz VWRZOYOULOLVKP-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP CCCCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001257519785 1106602207 /nfs/dbraw/zinc/60/22/07/1106602207.db2.gz MXWMMGUYTKEVMV-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(Br)cc1 ZINC001257556323 1106604828 /nfs/dbraw/zinc/60/48/28/1106604828.db2.gz YQCPZTSPCBZGIV-ZDUSSCGKSA-N 2 1 313.283 3.439 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@@H]3CCCSC3)CC1)C2 ZINC001257679222 1106620496 /nfs/dbraw/zinc/62/04/96/1106620496.db2.gz BLHAERAGYCQXBZ-LJQANCHMSA-N 2 1 316.514 3.405 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@@H]3CCCSC3)CC1)C2 ZINC001257679222 1106620500 /nfs/dbraw/zinc/62/05/00/1106620500.db2.gz BLHAERAGYCQXBZ-LJQANCHMSA-N 2 1 316.514 3.405 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001258007619 1106656771 /nfs/dbraw/zinc/65/67/71/1106656771.db2.gz JVZFZZKQOAGMGY-SFHVURJKSA-N 2 1 305.441 3.382 20 0 DGADMP CC(C)C[NH+]1CCC(N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001258012502 1106658269 /nfs/dbraw/zinc/65/82/69/1106658269.db2.gz XVAJKKIRIIGVOU-FQEVSTJZSA-N 2 1 315.505 3.096 20 0 DGADMP COc1cnccc1[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC001258010632 1106658311 /nfs/dbraw/zinc/65/83/11/1106658311.db2.gz BGWCZTIVVWDLAQ-IBGZPJMESA-N 2 1 317.477 3.251 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC001258011425 1106658407 /nfs/dbraw/zinc/65/84/07/1106658407.db2.gz MYCVDVOSZNHECZ-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC001258011425 1106658408 /nfs/dbraw/zinc/65/84/08/1106658408.db2.gz MYCVDVOSZNHECZ-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258068828 1106667077 /nfs/dbraw/zinc/66/70/77/1106667077.db2.gz GBEUBCXXBZTISO-YDZRNGNQSA-N 2 1 309.542 3.157 20 0 DGADMP CSCC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258212570 1106698110 /nfs/dbraw/zinc/69/81/10/1106698110.db2.gz UCFHQOIILMTTOR-BFYDXBDKSA-N 2 1 307.507 3.295 20 0 DGADMP CSC(C)(C)C[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258337699 1106718612 /nfs/dbraw/zinc/71/86/12/1106718612.db2.gz LSAPBFLGGRXWTO-ZDUSSCGKSA-N 2 1 313.511 3.037 20 0 DGADMP COC(=O)CC[C@@H](C)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258359383 1106723200 /nfs/dbraw/zinc/72/32/00/1106723200.db2.gz YWTPMQITZUQFRA-BFYDXBDKSA-N 2 1 310.482 3.233 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)CC3CC3)CC2)cc1 ZINC001258455325 1106752780 /nfs/dbraw/zinc/75/27/80/1106752780.db2.gz YTXNAOAPFAOALM-INIZCTEOSA-N 2 1 316.489 3.480 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258508463 1106786470 /nfs/dbraw/zinc/78/64/70/1106786470.db2.gz GLZBMJGPLOUYAU-SFHVURJKSA-N 2 1 315.505 3.496 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC001258509864 1106788666 /nfs/dbraw/zinc/78/86/66/1106788666.db2.gz JKJRMGKCFNZUMP-FXAWDEMLSA-N 2 1 315.505 3.364 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])C1CCN(c2ccccc2Cl)CC1 ZINC001258535428 1106805524 /nfs/dbraw/zinc/80/55/24/1106805524.db2.gz IVLQOPCDUZFZSM-UHFFFAOYSA-N 2 1 309.885 3.368 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600157 1106838714 /nfs/dbraw/zinc/83/87/14/1106838714.db2.gz GVOPZIGNZOOCMB-PKOBYXMFSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600157 1106838723 /nfs/dbraw/zinc/83/87/23/1106838723.db2.gz GVOPZIGNZOOCMB-PKOBYXMFSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600157 1106838732 /nfs/dbraw/zinc/83/87/32/1106838732.db2.gz GVOPZIGNZOOCMB-PKOBYXMFSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCC(C)(C)C3)C2)C1 ZINC001258600157 1106838737 /nfs/dbraw/zinc/83/87/37/1106838737.db2.gz GVOPZIGNZOOCMB-PKOBYXMFSA-N 2 1 308.510 3.388 20 0 DGADMP CC1(C)CC[C@@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258606415 1106847479 /nfs/dbraw/zinc/84/74/79/1106847479.db2.gz XFXGSJIVKCNSGL-IPMKNSEASA-N 2 1 320.521 3.388 20 0 DGADMP CC1(C)CC[C@@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258606415 1106847488 /nfs/dbraw/zinc/84/74/88/1106847488.db2.gz XFXGSJIVKCNSGL-IPMKNSEASA-N 2 1 320.521 3.388 20 0 DGADMP CC1(C)CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258606415 1106847501 /nfs/dbraw/zinc/84/75/01/1106847501.db2.gz XFXGSJIVKCNSGL-IPMKNSEASA-N 2 1 320.521 3.388 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258673285 1106895692 /nfs/dbraw/zinc/89/56/92/1106895692.db2.gz PYZHXLDDHLIDCS-NEPJUHHUSA-N 2 1 301.261 3.466 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC(C)(C)C1 ZINC001258697826 1106913336 /nfs/dbraw/zinc/91/33/36/1106913336.db2.gz MQSMLLLIAIKUPK-CABCVRRESA-N 2 1 307.482 3.331 20 0 DGADMP CCC[NH+]1CCC([NH+](CCOC(C)C)CCOC(C)C)CC1 ZINC001258773794 1106966168 /nfs/dbraw/zinc/96/61/68/1106966168.db2.gz CMWCAUKEYDEWCB-UHFFFAOYSA-N 2 1 314.514 3.013 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001258807765 1106992819 /nfs/dbraw/zinc/99/28/19/1106992819.db2.gz UMIMBRHVFZHOSN-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CCC[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001258819036 1106998307 /nfs/dbraw/zinc/99/83/07/1106998307.db2.gz BWXRWLHMYAOVBH-HUUCEWRRSA-N 2 1 304.482 3.120 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258821804 1107005471 /nfs/dbraw/zinc/00/54/71/1107005471.db2.gz CFJZSPORLLVBNV-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258821804 1107005483 /nfs/dbraw/zinc/00/54/83/1107005483.db2.gz CFJZSPORLLVBNV-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258821804 1107005498 /nfs/dbraw/zinc/00/54/98/1107005498.db2.gz CFJZSPORLLVBNV-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258821804 1107005512 /nfs/dbraw/zinc/00/55/12/1107005512.db2.gz CFJZSPORLLVBNV-HOTGVXAUSA-N 2 1 304.482 3.118 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC001258830513 1107013128 /nfs/dbraw/zinc/01/31/28/1107013128.db2.gz PYOJCEVAAHFYFI-CXAGYDPISA-N 2 1 302.466 3.231 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258884041 1107034770 /nfs/dbraw/zinc/03/47/70/1107034770.db2.gz RFPQNPHHDWLZGU-DDBAPUKQSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258884041 1107034783 /nfs/dbraw/zinc/03/47/83/1107034783.db2.gz RFPQNPHHDWLZGU-DDBAPUKQSA-N 2 1 302.462 3.231 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC001258900478 1107047730 /nfs/dbraw/zinc/04/77/30/1107047730.db2.gz MYVKBUXRRYPCRD-AWEZNQCLSA-N 2 1 300.487 3.207 20 0 DGADMP CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C(=O)OC(C)(C)C ZINC001258903184 1107050845 /nfs/dbraw/zinc/05/08/45/1107050845.db2.gz MSTITIGAOIKNGV-CABCVRRESA-N 2 1 300.487 3.207 20 0 DGADMP CCCOc1cccnc1C(=[NH2+])N[C@@H](C)CCC[NH+](CC)CC ZINC001258905613 1107053650 /nfs/dbraw/zinc/05/36/50/1107053650.db2.gz UYIWOSYJFHVYJC-HNNXBMFYSA-N 2 1 320.481 3.296 20 0 DGADMP CCOC(=O)C[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001258907370 1107055087 /nfs/dbraw/zinc/05/50/87/1107055087.db2.gz JUNHTENKZHNKDI-IRXDYDNUSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001258908533 1107056103 /nfs/dbraw/zinc/05/61/03/1107056103.db2.gz WVJJGWOEUUMLJN-ILXRZTDVSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001258910240 1107058180 /nfs/dbraw/zinc/05/81/80/1107058180.db2.gz OUCXKUQUVZRTGK-OAHLLOKOSA-N 2 1 318.461 3.284 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636515 1107080327 /nfs/dbraw/zinc/08/03/27/1107080327.db2.gz IIESSUUCZOKQGD-CQSZACIVSA-N 2 1 309.885 3.180 20 0 DGADMP COc1cc2cc[nH+]c(NCC(C)(C)C[NH+](C)C)c2cc1F ZINC000360843338 1107326551 /nfs/dbraw/zinc/32/65/51/1107326551.db2.gz VGOYBGBKIQRDNN-UHFFFAOYSA-N 2 1 305.397 3.382 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC(O)CC2)C1 ZINC001261252173 1107373534 /nfs/dbraw/zinc/37/35/34/1107373534.db2.gz ALBBJIWYQIBSCC-RRENTHDGSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCC(O)CC2)C1 ZINC001261252173 1107373545 /nfs/dbraw/zinc/37/35/45/1107373545.db2.gz ALBBJIWYQIBSCC-RRENTHDGSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC001261252173 1107373555 /nfs/dbraw/zinc/37/35/55/1107373555.db2.gz ALBBJIWYQIBSCC-RRENTHDGSA-N 2 1 308.510 3.124 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC001321696882 1107412661 /nfs/dbraw/zinc/41/26/61/1107412661.db2.gz WCZZRJJBUFKWNU-UHFFFAOYSA-N 2 1 321.484 3.064 20 0 DGADMP CC(C)C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001261502003 1107452962 /nfs/dbraw/zinc/45/29/62/1107452962.db2.gz WAZJBXBVWROIAJ-INIZCTEOSA-N 2 1 317.477 3.245 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)[C@H]1CC[NH3+] ZINC001261506200 1107454659 /nfs/dbraw/zinc/45/46/59/1107454659.db2.gz KSGRCFOIIZZBEW-KXBFYZLASA-N 2 1 312.461 3.036 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932101 1107466684 /nfs/dbraw/zinc/46/66/84/1107466684.db2.gz BQCZWAAEJVDEHF-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)C1 ZINC001321932101 1107466690 /nfs/dbraw/zinc/46/66/90/1107466690.db2.gz BQCZWAAEJVDEHF-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP CC[NH+](CC)[C@@H](CNc1cc(N)[nH+]cn1)c1ccccc1Cl ZINC001322496157 1107689551 /nfs/dbraw/zinc/68/95/51/1107689551.db2.gz MZBFCNUTEODPBN-AWEZNQCLSA-N 2 1 319.840 3.207 20 0 DGADMP COCc1csc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001262378937 1107706424 /nfs/dbraw/zinc/70/64/24/1107706424.db2.gz OWAQFLORHXVTQF-JYJNAYRXSA-N 2 1 308.491 3.057 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC001262671414 1107774287 /nfs/dbraw/zinc/77/42/87/1107774287.db2.gz CXGDJCVYXWOMGX-IHPCNDPISA-N 2 1 307.441 3.216 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH]n1 ZINC001319716048 1108607427 /nfs/dbraw/zinc/60/74/27/1108607427.db2.gz SJHWTPTUNDCQCL-MRXNPFEDSA-N 2 1 304.482 3.195 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC001325267248 1108608953 /nfs/dbraw/zinc/60/89/53/1108608953.db2.gz KWYRHJAVPVEPDM-HNNXBMFYSA-N 2 1 314.477 3.257 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001264674209 1108611350 /nfs/dbraw/zinc/61/13/50/1108611350.db2.gz YQQRHCMCZADISA-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001325341781 1108628564 /nfs/dbraw/zinc/62/85/64/1108628564.db2.gz ZIPNXCRINJBAAF-SJJHQCBESA-N 2 1 324.509 3.349 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC001319856903 1108666302 /nfs/dbraw/zinc/66/63/02/1108666302.db2.gz OIFGMCLERZENHO-HZPDHXFCSA-N 2 1 300.446 3.291 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC001319856903 1108666306 /nfs/dbraw/zinc/66/63/06/1108666306.db2.gz OIFGMCLERZENHO-HZPDHXFCSA-N 2 1 300.446 3.291 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000390878670 1108680099 /nfs/dbraw/zinc/68/00/99/1108680099.db2.gz UJFCKKZEXYSORC-HZTRTUMWSA-N 2 1 318.461 3.370 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000390878670 1108680103 /nfs/dbraw/zinc/68/01/03/1108680103.db2.gz UJFCKKZEXYSORC-HZTRTUMWSA-N 2 1 318.461 3.370 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319948714 1108710419 /nfs/dbraw/zinc/71/04/19/1108710419.db2.gz QCWULPCAFHIDAF-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319948714 1108710424 /nfs/dbraw/zinc/71/04/24/1108710424.db2.gz QCWULPCAFHIDAF-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP [NH3+]CC[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000393870255 1109067139 /nfs/dbraw/zinc/06/71/39/1109067139.db2.gz FRYSVKXBSQIAJY-MOPGFXCFSA-N 2 1 321.468 3.214 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001306967879 1111256229 /nfs/dbraw/zinc/25/62/29/1111256229.db2.gz LNCYHPGSRUTAOI-CYBMUJFWSA-N 2 1 323.362 3.455 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001307518030 1111309040 /nfs/dbraw/zinc/30/90/40/1111309040.db2.gz KVZVGEQBTPWHAX-RTBURBONSA-N 2 1 320.521 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001307518027 1111309103 /nfs/dbraw/zinc/30/91/03/1111309103.db2.gz KVZVGEQBTPWHAX-MOPGFXCFSA-N 2 1 320.521 3.390 20 0 DGADMP CCC[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564283 1111315429 /nfs/dbraw/zinc/31/54/29/1111315429.db2.gz WJNZQKDEWMHRAM-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564283 1111315433 /nfs/dbraw/zinc/31/54/33/1111315433.db2.gz WJNZQKDEWMHRAM-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307564283 1111315437 /nfs/dbraw/zinc/31/54/37/1111315437.db2.gz WJNZQKDEWMHRAM-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307564283 1111315441 /nfs/dbraw/zinc/31/54/41/1111315441.db2.gz WJNZQKDEWMHRAM-QUCCMNQESA-N 2 1 316.489 3.136 20 0 DGADMP CCCCOC(=O)[C@H](C)[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001308027986 1111368006 /nfs/dbraw/zinc/36/80/06/1111368006.db2.gz MYWAMHNNUCAJDF-INIZCTEOSA-N 2 1 312.498 3.018 20 0 DGADMP Cc1cnc(C[N@@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)o1 ZINC001308165541 1111388337 /nfs/dbraw/zinc/38/83/37/1111388337.db2.gz OOSRGYLVCNVFDB-CQSZACIVSA-N 2 1 302.422 3.314 20 0 DGADMP Cc1cnc(C[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)o1 ZINC001308165541 1111388342 /nfs/dbraw/zinc/38/83/42/1111388342.db2.gz OOSRGYLVCNVFDB-CQSZACIVSA-N 2 1 302.422 3.314 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC001308254858 1111405323 /nfs/dbraw/zinc/40/53/23/1111405323.db2.gz RXRKLKINJKPADL-HNNXBMFYSA-N 2 1 312.404 3.498 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001308293934 1111412311 /nfs/dbraw/zinc/41/23/11/1111412311.db2.gz ZKERHXVBIHOZNC-QZTJIDSGSA-N 2 1 314.473 3.407 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001308293934 1111412314 /nfs/dbraw/zinc/41/23/14/1111412314.db2.gz ZKERHXVBIHOZNC-QZTJIDSGSA-N 2 1 314.473 3.407 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001308368034 1111422279 /nfs/dbraw/zinc/42/22/79/1111422279.db2.gz ZMXLAQCOXVVZBN-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCCCC1 ZINC001308439245 1111428888 /nfs/dbraw/zinc/42/88/88/1111428888.db2.gz BNEINYIHDMMGBE-UYAOXDASSA-N 2 1 316.489 3.446 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCCCC1 ZINC001308439245 1111428890 /nfs/dbraw/zinc/42/88/90/1111428890.db2.gz BNEINYIHDMMGBE-UYAOXDASSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)C[N@@H+](C)CCCNCc1cc2ccc(F)cc2[nH]c1=O ZINC001308456206 1111430769 /nfs/dbraw/zinc/43/07/69/1111430769.db2.gz CVIQQJMWBFKXSW-UHFFFAOYSA-N 2 1 319.424 3.147 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308456206 1111430770 /nfs/dbraw/zinc/43/07/70/1111430770.db2.gz CVIQQJMWBFKXSW-UHFFFAOYSA-N 2 1 319.424 3.147 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308456206 1111430773 /nfs/dbraw/zinc/43/07/73/1111430773.db2.gz CVIQQJMWBFKXSW-UHFFFAOYSA-N 2 1 319.424 3.147 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1OC ZINC001308479677 1111433687 /nfs/dbraw/zinc/43/36/87/1111433687.db2.gz SVASQLWIUDAXNG-CABCVRRESA-N 2 1 308.466 3.302 20 0 DGADMP Cc1cc(C)c(/C=C\CN[C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485859 1111434175 /nfs/dbraw/zinc/43/41/75/1111434175.db2.gz JXBVHJQRFKDNLJ-MJRGOJFPSA-N 2 1 316.489 3.060 20 0 DGADMP Cc1cc(C)c(/C=C\CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485859 1111434176 /nfs/dbraw/zinc/43/41/76/1111434176.db2.gz JXBVHJQRFKDNLJ-MJRGOJFPSA-N 2 1 316.489 3.060 20 0 DGADMP Cc1cc(C)c(/C=C/CN[C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485833 1111434361 /nfs/dbraw/zinc/43/43/61/1111434361.db2.gz JXBVHJQRFKDNLJ-DKFQHHCZSA-N 2 1 316.489 3.060 20 0 DGADMP Cc1cc(C)c(/C=C/CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485833 1111434364 /nfs/dbraw/zinc/43/43/64/1111434364.db2.gz JXBVHJQRFKDNLJ-DKFQHHCZSA-N 2 1 316.489 3.060 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1C(C)(C)C ZINC001308554458 1111443249 /nfs/dbraw/zinc/44/32/49/1111443249.db2.gz GMGBNOJJTNHSAI-XYJFISCASA-N 2 1 316.489 3.423 20 0 DGADMP COc1ccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001308563438 1111444845 /nfs/dbraw/zinc/44/48/45/1111444845.db2.gz SVVHXAUZODQYDL-INIZCTEOSA-N 2 1 320.502 3.205 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001308563438 1111444848 /nfs/dbraw/zinc/44/48/48/1111444848.db2.gz SVVHXAUZODQYDL-INIZCTEOSA-N 2 1 320.502 3.205 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001308598569 1111449149 /nfs/dbraw/zinc/44/91/49/1111449149.db2.gz LMFQDYVVHGFLHU-LJQANCHMSA-N 2 1 316.489 3.108 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C[C@@](C)(O)CC)CC1 ZINC001308696387 1111461957 /nfs/dbraw/zinc/46/19/57/1111461957.db2.gz MMUBAJJASFCQRZ-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc2c1CCOC2 ZINC001308744411 1111469394 /nfs/dbraw/zinc/46/93/94/1111469394.db2.gz FKXRMSATGTVBLX-UHFFFAOYSA-N 2 1 304.478 3.313 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2c1CCOC2 ZINC001308744411 1111469395 /nfs/dbraw/zinc/46/93/95/1111469395.db2.gz FKXRMSATGTVBLX-UHFFFAOYSA-N 2 1 304.478 3.313 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cncc(Cl)c1Cl)C1CC1 ZINC001308804635 1111477366 /nfs/dbraw/zinc/47/73/66/1111477366.db2.gz NAXXOZSLSKNYFJ-UHFFFAOYSA-N 2 1 302.249 3.352 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278369203 214122793 /nfs/dbraw/zinc/12/27/93/214122793.db2.gz BYSYWFRYXNZQFJ-RUGGUXRKSA-N 2 1 314.473 3.339 20 0 DGADMP C[N@H+](C[C@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278494274 214190742 /nfs/dbraw/zinc/19/07/42/214190742.db2.gz UOOBLGXDLFJCPQ-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+](C[C@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278494274 214190745 /nfs/dbraw/zinc/19/07/45/214190745.db2.gz UOOBLGXDLFJCPQ-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414697273 230805154 /nfs/dbraw/zinc/80/51/54/230805154.db2.gz IKAMIJMGLRNSGS-GPMSIDNRSA-N 2 1 301.478 3.278 20 0 DGADMP Cc1ccccc1C1CC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000278599158 214266167 /nfs/dbraw/zinc/26/61/67/214266167.db2.gz QVJBFWBBBVENRI-VIQWUECVSA-N 2 1 316.489 3.332 20 0 DGADMP Cc1ccccc1C1CC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000278599158 214266168 /nfs/dbraw/zinc/26/61/68/214266168.db2.gz QVJBFWBBBVENRI-VIQWUECVSA-N 2 1 316.489 3.332 20 0 DGADMP C[C@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789999 231103851 /nfs/dbraw/zinc/10/38/51/231103851.db2.gz OKSKAWNUWNREOZ-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789999 231103855 /nfs/dbraw/zinc/10/38/55/231103855.db2.gz OKSKAWNUWNREOZ-MAUKXSAKSA-N 2 1 313.420 3.221 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015374 231109093 /nfs/dbraw/zinc/10/90/93/231109093.db2.gz NNKYQKTUAILJMF-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015374 231109095 /nfs/dbraw/zinc/10/90/95/231109095.db2.gz NNKYQKTUAILJMF-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015374 231109097 /nfs/dbraw/zinc/10/90/97/231109097.db2.gz NNKYQKTUAILJMF-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC000310015374 231109100 /nfs/dbraw/zinc/10/91/00/231109100.db2.gz NNKYQKTUAILJMF-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(F)c1 ZINC000297572763 529489790 /nfs/dbraw/zinc/48/97/90/529489790.db2.gz HZKMBOPPDWOMII-KRWDZBQOSA-N 2 1 306.425 3.200 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432417838 529539768 /nfs/dbraw/zinc/53/97/68/529539768.db2.gz XKWDUDKXVTYGHN-QUCCMNQESA-N 2 1 318.505 3.407 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432417838 529539770 /nfs/dbraw/zinc/53/97/70/529539770.db2.gz XKWDUDKXVTYGHN-QUCCMNQESA-N 2 1 318.505 3.407 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093944559 282211088 /nfs/dbraw/zinc/21/10/88/282211088.db2.gz UOUNUQJKWRUYIY-LSDHHAIUSA-N 2 1 300.450 3.244 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349042 199284178 /nfs/dbraw/zinc/28/41/78/199284178.db2.gz JVJISBSOQIJUPP-FMKPAKJESA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349042 199284179 /nfs/dbraw/zinc/28/41/79/199284179.db2.gz JVJISBSOQIJUPP-FMKPAKJESA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1C ZINC000129615787 432007589 /nfs/dbraw/zinc/00/75/89/432007589.db2.gz RFWLHCBHBVWGDL-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)CC12CCCCC2)Cc1ccccc1 ZINC000429684459 529908833 /nfs/dbraw/zinc/90/88/33/529908833.db2.gz KMTVUAJWTXRHKJ-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[NH+](CCN1CC[N@H+](C)CC12CCCCC2)Cc1ccccc1 ZINC000429684459 529908835 /nfs/dbraw/zinc/90/88/35/529908835.db2.gz KMTVUAJWTXRHKJ-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[NH+](CCN1CC[N@@H+](C)CC12CCCCC2)Cc1ccccc1 ZINC000429684459 529908836 /nfs/dbraw/zinc/90/88/36/529908836.db2.gz KMTVUAJWTXRHKJ-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423200577 529971190 /nfs/dbraw/zinc/97/11/90/529971190.db2.gz MRIRBTOZXLMGDK-ZDUSSCGKSA-N 2 1 303.475 3.302 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC(C)(C)CO ZINC000294863397 529999460 /nfs/dbraw/zinc/99/94/60/529999460.db2.gz UBKKGZZPJPTYGW-UHFFFAOYSA-N 2 1 306.494 3.143 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292901231 530065503 /nfs/dbraw/zinc/06/55/03/530065503.db2.gz GPRRELYOGQPPMB-SFHVURJKSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292901231 530065504 /nfs/dbraw/zinc/06/55/04/530065504.db2.gz GPRRELYOGQPPMB-SFHVURJKSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292901231 530065505 /nfs/dbraw/zinc/06/55/05/530065505.db2.gz GPRRELYOGQPPMB-SFHVURJKSA-N 2 1 306.425 3.012 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292695317 530047460 /nfs/dbraw/zinc/04/74/60/530047460.db2.gz NSNWLMAXNAJWSQ-UHFFFAOYSA-N 2 1 315.442 3.177 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305624983 530057101 /nfs/dbraw/zinc/05/71/01/530057101.db2.gz JUAJQWZPAXUBKI-QRVBRYPASA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305624983 530057102 /nfs/dbraw/zinc/05/71/02/530057102.db2.gz JUAJQWZPAXUBKI-QRVBRYPASA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305624983 530057103 /nfs/dbraw/zinc/05/71/03/530057103.db2.gz JUAJQWZPAXUBKI-QRVBRYPASA-N 2 1 320.452 3.198 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272648808 210053781 /nfs/dbraw/zinc/05/37/81/210053781.db2.gz JSUZWSQVSCOKEW-QWFCFKBJSA-N 2 1 318.505 3.285 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272648312 210053120 /nfs/dbraw/zinc/05/31/20/210053120.db2.gz DYIKSJRWHKKZOP-VNTMZGSJSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000105442869 432018372 /nfs/dbraw/zinc/01/83/72/432018372.db2.gz DOPFRUCYWXJITE-GFCCVEGCSA-N 2 1 323.872 3.128 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000130260031 432019534 /nfs/dbraw/zinc/01/95/34/432019534.db2.gz PMJMGMBUVTUGCJ-OWCLPIDISA-N 2 1 317.477 3.256 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000279795302 215153513 /nfs/dbraw/zinc/15/35/13/215153513.db2.gz VQSRTSNBVLIXKT-MPGHIAIKSA-N 2 1 301.434 3.193 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000279866398 215191208 /nfs/dbraw/zinc/19/12/08/215191208.db2.gz JHVGUBMOWMITNZ-MRXNPFEDSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000279866398 215191210 /nfs/dbraw/zinc/19/12/10/215191210.db2.gz JHVGUBMOWMITNZ-MRXNPFEDSA-N 2 1 315.486 3.453 20 0 DGADMP Brc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000106868476 432022661 /nfs/dbraw/zinc/02/26/61/432022661.db2.gz RYQPGENCZVAOGI-VXGBXAGGSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000106868476 432022663 /nfs/dbraw/zinc/02/26/63/432022663.db2.gz RYQPGENCZVAOGI-VXGBXAGGSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000106868476 432022665 /nfs/dbraw/zinc/02/26/65/432022665.db2.gz RYQPGENCZVAOGI-VXGBXAGGSA-N 2 1 315.280 3.227 20 0 DGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152460684 186075170 /nfs/dbraw/zinc/07/51/70/186075170.db2.gz MLEVZVPRLIDAQW-RDTXWAMCSA-N 2 1 302.487 3.091 20 0 DGADMP CC[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163965086 186144370 /nfs/dbraw/zinc/14/43/70/186144370.db2.gz LXVKHODFWYEJTG-INIZCTEOSA-N 2 1 320.477 3.064 20 0 DGADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000155868261 186118621 /nfs/dbraw/zinc/11/86/21/186118621.db2.gz XUFJZKYMKLMMRN-MPGHIAIKSA-N 2 1 314.477 3.053 20 0 DGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000155868378 186119605 /nfs/dbraw/zinc/11/96/05/186119605.db2.gz XUFJZKYMKLMMRN-HDMKZQKVSA-N 2 1 314.477 3.053 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000163892444 186141650 /nfs/dbraw/zinc/14/16/50/186141650.db2.gz NCDRLQHEYFVBLQ-KGLIPLIRSA-N 2 1 309.417 3.326 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1F ZINC000194269740 186274982 /nfs/dbraw/zinc/27/49/82/186274982.db2.gz VRFKBXZISWVUDC-HNNXBMFYSA-N 2 1 301.365 3.102 20 0 DGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275548632 282984475 /nfs/dbraw/zinc/98/44/75/282984475.db2.gz NFWYQOGKVWJPOT-XHDPSFHLSA-N 2 1 303.356 3.001 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277156181 213333557 /nfs/dbraw/zinc/33/35/57/213333557.db2.gz FJSXPKWGLXWSPK-DOTOQJQBSA-N 2 1 320.477 3.043 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182061137 199381487 /nfs/dbraw/zinc/38/14/87/199381487.db2.gz AQALAOVSMVMTNV-DYVFJYSZSA-N 2 1 317.408 3.470 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472755307 535216884 /nfs/dbraw/zinc/21/68/84/535216884.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 3 1 309.542 3.305 20 0 DGADMP CCCC[NH+](C)CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472755307 535216897 /nfs/dbraw/zinc/21/68/97/535216897.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 3 1 309.542 3.305 20 0 DGADMP CCCC[NH+](C)CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472755307 535216903 /nfs/dbraw/zinc/21/69/03/535216903.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 3 1 309.542 3.305 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000472755307 535216908 /nfs/dbraw/zinc/21/69/08/535216908.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 2 1 309.542 3.305 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000472755307 535216912 /nfs/dbraw/zinc/21/69/12/535216912.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 2 1 309.542 3.305 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000174350294 198323734 /nfs/dbraw/zinc/32/37/34/198323734.db2.gz QLMNDEJXELDXEJ-CYBMUJFWSA-N 2 1 323.387 3.261 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000174513923 198344445 /nfs/dbraw/zinc/34/44/45/198344445.db2.gz SBEFFGUVSHQRTK-AEFFLSMTSA-N 2 1 301.478 3.249 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000174514627 198345029 /nfs/dbraw/zinc/34/50/29/198345029.db2.gz VVTPVPNQSLUKBB-OCCSQVGLSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000182230617 199407376 /nfs/dbraw/zinc/40/73/76/199407376.db2.gz MRSGMRLRISCDIH-CRAIPNDOSA-N 2 1 304.478 3.168 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277029575 213249490 /nfs/dbraw/zinc/24/94/90/213249490.db2.gz AYQMTZRMQAPYMB-MRXNPFEDSA-N 2 1 314.429 3.018 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277029575 213249492 /nfs/dbraw/zinc/24/94/92/213249492.db2.gz AYQMTZRMQAPYMB-MRXNPFEDSA-N 2 1 314.429 3.018 20 0 DGADMP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287391968 219497202 /nfs/dbraw/zinc/49/72/02/219497202.db2.gz ISNPFMVMOOVPSC-ATLSCFEFSA-N 2 1 304.503 3.238 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103909 283077053 /nfs/dbraw/zinc/07/70/53/283077053.db2.gz LRXBTIIICDSPNH-BPQIPLTHSA-N 2 1 323.912 3.440 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103909 283077054 /nfs/dbraw/zinc/07/70/54/283077054.db2.gz LRXBTIIICDSPNH-BPQIPLTHSA-N 2 1 323.912 3.440 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414896468 291082561 /nfs/dbraw/zinc/08/25/61/291082561.db2.gz BYOIVAUMZHURSO-HKUYNNGSSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000414896468 291082562 /nfs/dbraw/zinc/08/25/62/291082562.db2.gz BYOIVAUMZHURSO-HKUYNNGSSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000165267152 432054224 /nfs/dbraw/zinc/05/42/24/432054224.db2.gz HZLUUFKYLYCRAJ-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165243002 432054787 /nfs/dbraw/zinc/05/47/87/432054787.db2.gz VPLNVJWESGNETC-QWFCFKBJSA-N 2 1 318.505 3.344 20 0 DGADMP CCCCOCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000236830800 202029213 /nfs/dbraw/zinc/02/92/13/202029213.db2.gz ZJYLPCIQBDQIHR-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000236888477 202054226 /nfs/dbraw/zinc/05/42/26/202054226.db2.gz GOOSBJVPNLQUKR-SFHVURJKSA-N 2 1 311.429 3.038 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000236888477 202054229 /nfs/dbraw/zinc/05/42/29/202054229.db2.gz GOOSBJVPNLQUKR-SFHVURJKSA-N 2 1 311.429 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@@H+]1C ZINC000166703801 432062421 /nfs/dbraw/zinc/06/24/21/432062421.db2.gz SISQIRRKMKXMEO-NEPXVJNWSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@H+]1C ZINC000166703801 432062423 /nfs/dbraw/zinc/06/24/23/432062423.db2.gz SISQIRRKMKXMEO-NEPXVJNWSA-N 2 1 302.462 3.227 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000166799323 432062625 /nfs/dbraw/zinc/06/26/25/432062625.db2.gz ADNLPKXBWJQDJM-GOEBONIOSA-N 2 1 301.434 3.240 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337138 432068678 /nfs/dbraw/zinc/06/86/78/432068678.db2.gz WBBKQSFOJLIXNE-SOLBZPMBSA-N 2 1 301.478 3.420 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337138 432068681 /nfs/dbraw/zinc/06/86/81/432068681.db2.gz WBBKQSFOJLIXNE-SOLBZPMBSA-N 2 1 301.478 3.420 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC000180463584 199162560 /nfs/dbraw/zinc/16/25/60/199162560.db2.gz MEPKRFPFNRXLGX-UHFFFAOYSA-N 2 1 305.466 3.221 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000237351314 202241182 /nfs/dbraw/zinc/24/11/82/202241182.db2.gz XACFIIXBGOORPL-QAPCUYQASA-N 2 1 315.461 3.142 20 0 DGADMP C[C@H]1C[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442869011 291146174 /nfs/dbraw/zinc/14/61/74/291146174.db2.gz AGDUCCATOWDSLX-ZWKOTPCHSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)CC[N@H+]1C ZINC000180804138 199210962 /nfs/dbraw/zinc/21/09/62/199210962.db2.gz HWWCCUUEJINWPI-WBVHZDCISA-N 2 1 313.445 3.076 20 0 DGADMP CCCC1CCC(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000180068793 432077147 /nfs/dbraw/zinc/07/71/47/432077147.db2.gz AXXCTQUONRNKRK-MHJFOBGBSA-N 2 1 321.553 3.305 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC000180938478 199230914 /nfs/dbraw/zinc/23/09/14/199230914.db2.gz FQHQUUNDPSZPFX-QUCCMNQESA-N 2 1 318.505 3.264 20 0 DGADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000180162326 432080234 /nfs/dbraw/zinc/08/02/34/432080234.db2.gz VYWTXURMWSLZOY-RAFMOHDBSA-N 2 1 314.473 3.341 20 0 DGADMP CC[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180163001 432080349 /nfs/dbraw/zinc/08/03/49/432080349.db2.gz DCURWBGTMIDVLQ-OHSMVPPVSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[NH2+]1 ZINC000414945975 236973112 /nfs/dbraw/zinc/97/31/12/236973112.db2.gz JAYIWVJVQQVUPW-LRDDRELGSA-N 2 1 308.853 3.359 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)sc1Br ZINC000415070722 237049629 /nfs/dbraw/zinc/04/96/29/237049629.db2.gz VJMOXLKDAGNXPP-LBPRGKRZSA-N 2 1 317.296 3.426 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000415109357 237083662 /nfs/dbraw/zinc/08/36/62/237083662.db2.gz LRPIRKUEEKLXMK-OAHLLOKOSA-N 2 1 320.433 3.104 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000415109357 237083675 /nfs/dbraw/zinc/08/36/75/237083675.db2.gz LRPIRKUEEKLXMK-OAHLLOKOSA-N 2 1 320.433 3.104 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000415130121 237099139 /nfs/dbraw/zinc/09/91/39/237099139.db2.gz QLLRDNYVAHTQJM-FUHWJXTLSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000415130121 237099148 /nfs/dbraw/zinc/09/91/48/237099148.db2.gz QLLRDNYVAHTQJM-FUHWJXTLSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H](O)C[C@@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281120233 216091437 /nfs/dbraw/zinc/09/14/37/216091437.db2.gz XNFFOXVXNFGHMT-NXMBOHNASA-N 2 1 318.505 3.426 20 0 DGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C(C)(C)C)n1 ZINC000180470967 432087356 /nfs/dbraw/zinc/08/73/56/432087356.db2.gz SSHYYLRQBVVTER-MRXNPFEDSA-N 2 1 318.509 3.025 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C(C)(C)C)n1 ZINC000180470967 432087358 /nfs/dbraw/zinc/08/73/58/432087358.db2.gz SSHYYLRQBVVTER-MRXNPFEDSA-N 2 1 318.509 3.025 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134882321 432087827 /nfs/dbraw/zinc/08/78/27/432087827.db2.gz RVFNVOUWRHSIBO-ZBFHGGJFSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000134882321 432087829 /nfs/dbraw/zinc/08/78/29/432087829.db2.gz RVFNVOUWRHSIBO-ZBFHGGJFSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000134882321 432087832 /nfs/dbraw/zinc/08/78/32/432087832.db2.gz RVFNVOUWRHSIBO-ZBFHGGJFSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134882321 432087825 /nfs/dbraw/zinc/08/78/25/432087825.db2.gz RVFNVOUWRHSIBO-ZBFHGGJFSA-N 2 1 305.491 3.209 20 0 DGADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccc2s1 ZINC000423120307 237825628 /nfs/dbraw/zinc/82/56/28/237825628.db2.gz GBJQUNGBDHKJTB-GVDBMIGSSA-N 2 1 316.470 3.148 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1csc(C(C)(C)C)n1)CC[NH2+]CC2 ZINC000424285230 237889402 /nfs/dbraw/zinc/88/94/02/237889402.db2.gz FPUWWQOOSFBDGR-ZDUSSCGKSA-N 2 1 307.507 3.405 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430546497 238079291 /nfs/dbraw/zinc/07/92/91/238079291.db2.gz XYHWMSQODAPLLB-RYUDHWBXSA-N 2 1 317.260 3.431 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430652073 238082634 /nfs/dbraw/zinc/08/26/34/238082634.db2.gz WZIXTPXUDYPGPG-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430917374 238089965 /nfs/dbraw/zinc/08/99/65/238089965.db2.gz JTXBOSQDTUJILS-HNAYVOBHSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432417394 238127913 /nfs/dbraw/zinc/12/79/13/238127913.db2.gz VKIUCOPCSZPPEP-SJORKVTESA-N 2 1 322.468 3.237 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432417394 238127915 /nfs/dbraw/zinc/12/79/15/238127915.db2.gz VKIUCOPCSZPPEP-SJORKVTESA-N 2 1 322.468 3.237 20 0 DGADMP Cc1cccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432425423 238128466 /nfs/dbraw/zinc/12/84/66/238128466.db2.gz VFWXIEPCQVABEW-MOPGFXCFSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1cccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432425423 238128468 /nfs/dbraw/zinc/12/84/68/238128468.db2.gz VFWXIEPCQVABEW-MOPGFXCFSA-N 2 1 318.505 3.407 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)(F)F ZINC000271919964 209324006 /nfs/dbraw/zinc/32/40/06/209324006.db2.gz ZXLPXVAUIFCCCV-LBPRGKRZSA-N 2 1 314.351 3.498 20 0 DGADMP CCOCc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000281342558 216236260 /nfs/dbraw/zinc/23/62/60/216236260.db2.gz SVUVPERMAJPLMY-UHFFFAOYSA-N 2 1 320.477 3.149 20 0 DGADMP CCOCc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000281342558 216236264 /nfs/dbraw/zinc/23/62/64/216236264.db2.gz SVUVPERMAJPLMY-UHFFFAOYSA-N 2 1 320.477 3.149 20 0 DGADMP c1cc(C[N@@H+](Cc2cncs2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427640 238304728 /nfs/dbraw/zinc/30/47/28/238304728.db2.gz MWQYRSYBSICBLO-OAHLLOKOSA-N 2 1 319.499 3.349 20 0 DGADMP c1cc(C[N@H+](Cc2cncs2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427640 238304734 /nfs/dbraw/zinc/30/47/34/238304734.db2.gz MWQYRSYBSICBLO-OAHLLOKOSA-N 2 1 319.499 3.349 20 0 DGADMP c1cc(C[N@@H+](Cc2ccccn2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426373 238305907 /nfs/dbraw/zinc/30/59/07/238305907.db2.gz HUZRMHZNSJUPLE-KRWDZBQOSA-N 2 1 313.470 3.287 20 0 DGADMP Cc1ncsc1C[N@@H+](CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435738561 238343762 /nfs/dbraw/zinc/34/37/62/238343762.db2.gz SOPGVYOVRBFDGB-QGZVFWFLSA-N 2 1 315.486 3.106 20 0 DGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000193300846 201024731 /nfs/dbraw/zinc/02/47/31/201024731.db2.gz HTNYAPMGIQTRHJ-AWEZNQCLSA-N 2 1 314.433 3.121 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000193495462 201062198 /nfs/dbraw/zinc/06/21/98/201062198.db2.gz NGKIKFWGZWKMGY-UONOGXRCSA-N 2 1 302.418 3.434 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)C1 ZINC000193495462 201062201 /nfs/dbraw/zinc/06/22/01/201062201.db2.gz NGKIKFWGZWKMGY-UONOGXRCSA-N 2 1 302.418 3.434 20 0 DGADMP COc1cccc(CCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441370876 239040871 /nfs/dbraw/zinc/04/08/71/239040871.db2.gz RYHHQQVNACODNW-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP COc1cccc(CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441370876 239040881 /nfs/dbraw/zinc/04/08/81/239040881.db2.gz RYHHQQVNACODNW-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP COc1cccc(CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441370876 239040888 /nfs/dbraw/zinc/04/08/88/239040888.db2.gz RYHHQQVNACODNW-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCC ZINC000442917694 239152019 /nfs/dbraw/zinc/15/20/19/239152019.db2.gz BEIDWQSPWMMRJO-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000442920737 239153201 /nfs/dbraw/zinc/15/32/01/239153201.db2.gz HLUXUJBNVVJUSI-LBPRGKRZSA-N 2 1 307.488 3.432 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000271846896 209264942 /nfs/dbraw/zinc/26/49/42/209264942.db2.gz RZKDHFRHBVPUEB-UHFFFAOYSA-N 2 1 323.440 3.012 20 0 DGADMP COCC[N@H+](CCC[NH+]1CCCCC1)CCc1ccccc1 ZINC000444579902 239300629 /nfs/dbraw/zinc/30/06/29/239300629.db2.gz AKLUGRQHHHHRHS-UHFFFAOYSA-N 2 1 304.478 3.054 20 0 DGADMP COCC[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccc1 ZINC000444579902 239300632 /nfs/dbraw/zinc/30/06/32/239300632.db2.gz AKLUGRQHHHHRHS-UHFFFAOYSA-N 2 1 304.478 3.054 20 0 DGADMP COc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1SC ZINC000271836407 209253894 /nfs/dbraw/zinc/25/38/94/209253894.db2.gz FVPRGSGZOOVSRS-ZDUSSCGKSA-N 2 1 306.475 3.330 20 0 DGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275521251 212390556 /nfs/dbraw/zinc/39/05/56/212390556.db2.gz LDGHWAFVVRCDBI-GOEBONIOSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccnc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000275497060 212374710 /nfs/dbraw/zinc/37/47/10/212374710.db2.gz UHSAKFJGDCUTBK-UHFFFAOYSA-N 2 1 317.477 3.109 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1ccnn1C1CCCC1)C(C)(C)C ZINC000449144638 240036007 /nfs/dbraw/zinc/03/60/07/240036007.db2.gz TZMKKGVKLSFCGF-KRWDZBQOSA-N 2 1 306.498 3.454 20 0 DGADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000449087481 240011271 /nfs/dbraw/zinc/01/12/71/240011271.db2.gz VVIZYMYINDRDKW-JKSUJKDBSA-N 2 1 317.477 3.245 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000449235147 240083343 /nfs/dbraw/zinc/08/33/43/240083343.db2.gz TWGSYIHZBSEUSW-RTBURBONSA-N 2 1 316.489 3.312 20 0 DGADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000449235145 240083839 /nfs/dbraw/zinc/08/38/39/240083839.db2.gz TWGSYIHZBSEUSW-RBUKOAKNSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449162085 240046300 /nfs/dbraw/zinc/04/63/00/240046300.db2.gz IADUCVYEGYXFFS-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449162085 240046303 /nfs/dbraw/zinc/04/63/03/240046303.db2.gz IADUCVYEGYXFFS-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449166909 240048276 /nfs/dbraw/zinc/04/82/76/240048276.db2.gz GZFZSSKZEQZKEJ-BHIYHBOVSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449166909 240048282 /nfs/dbraw/zinc/04/82/82/240048282.db2.gz GZFZSSKZEQZKEJ-BHIYHBOVSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000449232521 240082238 /nfs/dbraw/zinc/08/22/38/240082238.db2.gz IHPRJLBDCWNGNX-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000246184773 432104589 /nfs/dbraw/zinc/10/45/89/432104589.db2.gz HLIIEJHSNYJQAH-DLBZAZTESA-N 2 1 304.478 3.433 20 0 DGADMP COCC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449295473 240114641 /nfs/dbraw/zinc/11/46/41/240114641.db2.gz SMQKASGCTHIYPE-GPJFCIFZSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449577013 240298383 /nfs/dbraw/zinc/29/83/83/240298383.db2.gz CQCAMCVNEXCYSC-NBYUQASBSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449577013 240298390 /nfs/dbraw/zinc/29/83/90/240298390.db2.gz CQCAMCVNEXCYSC-NBYUQASBSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449577012 240300232 /nfs/dbraw/zinc/30/02/32/240300232.db2.gz CQCAMCVNEXCYSC-LMCOJAPRSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449577012 240300240 /nfs/dbraw/zinc/30/02/40/240300240.db2.gz CQCAMCVNEXCYSC-LMCOJAPRSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560624 240290371 /nfs/dbraw/zinc/29/03/71/240290371.db2.gz NPHYUURLPXKTRI-HNSVSWJLSA-N 2 1 312.461 3.099 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000092066681 193151750 /nfs/dbraw/zinc/15/17/50/193151750.db2.gz WHPKRZNCPOJWSZ-MJGOQNOKSA-N 2 1 312.457 3.070 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000092066681 193151752 /nfs/dbraw/zinc/15/17/52/193151752.db2.gz WHPKRZNCPOJWSZ-MJGOQNOKSA-N 2 1 312.457 3.070 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000092066681 193151754 /nfs/dbraw/zinc/15/17/54/193151754.db2.gz WHPKRZNCPOJWSZ-MJGOQNOKSA-N 2 1 312.457 3.070 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066853 193151857 /nfs/dbraw/zinc/15/18/57/193151857.db2.gz ZLPZRSAMGZCTCI-APWZRJJASA-N 2 1 300.446 3.144 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066853 193151858 /nfs/dbraw/zinc/15/18/58/193151858.db2.gz ZLPZRSAMGZCTCI-APWZRJJASA-N 2 1 300.446 3.144 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066853 193151860 /nfs/dbraw/zinc/15/18/60/193151860.db2.gz ZLPZRSAMGZCTCI-APWZRJJASA-N 2 1 300.446 3.144 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066462 193151971 /nfs/dbraw/zinc/15/19/71/193151971.db2.gz OPPCNXKXWTVSQZ-QUCCMNQESA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066462 193151972 /nfs/dbraw/zinc/15/19/72/193151972.db2.gz OPPCNXKXWTVSQZ-QUCCMNQESA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066462 193151973 /nfs/dbraw/zinc/15/19/73/193151973.db2.gz OPPCNXKXWTVSQZ-QUCCMNQESA-N 2 1 314.473 3.282 20 0 DGADMP FC1(F)CC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000450881485 240908389 /nfs/dbraw/zinc/90/83/89/240908389.db2.gz ROMNLJSESPKGEQ-UHFFFAOYSA-N 2 1 309.404 3.444 20 0 DGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000451132012 241018204 /nfs/dbraw/zinc/01/82/04/241018204.db2.gz UDSFAUXIJDLACS-RBUKOAKNSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451508043 241151883 /nfs/dbraw/zinc/15/18/83/241151883.db2.gz VXBVMGHFFLUFSX-ROUUACIJSA-N 2 1 313.445 3.165 20 0 DGADMP Cc1cncc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000452126251 241325330 /nfs/dbraw/zinc/32/53/30/241325330.db2.gz ZOIMQHCAJKKIGT-UHFFFAOYSA-N 2 1 315.383 3.239 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(-n3cccn3)c2)CC1 ZINC000092165335 193169602 /nfs/dbraw/zinc/16/96/02/193169602.db2.gz BIJXESQYXCYWEG-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000092165536 193170050 /nfs/dbraw/zinc/17/00/50/193170050.db2.gz NHVATANHQVUQJX-UHFFFAOYSA-N 2 1 306.450 3.010 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000092165536 193170052 /nfs/dbraw/zinc/17/00/52/193170052.db2.gz NHVATANHQVUQJX-UHFFFAOYSA-N 2 1 306.450 3.010 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000093844554 284014148 /nfs/dbraw/zinc/01/41/48/284014148.db2.gz ORVJBYVPHRIHIG-MRXNPFEDSA-N 2 1 320.477 3.248 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3CC3)cc2)CCCO1 ZINC000459512965 243396024 /nfs/dbraw/zinc/39/60/24/243396024.db2.gz RSSAXPYVFNWXQA-INIZCTEOSA-N 2 1 302.462 3.155 20 0 DGADMP CC(C)OC1CC([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000459439317 243370503 /nfs/dbraw/zinc/37/05/03/243370503.db2.gz NAKJOYPLULMFAZ-UHFFFAOYSA-N 2 1 317.477 3.355 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000184510606 296126555 /nfs/dbraw/zinc/12/65/55/296126555.db2.gz OXLUMQXBMMPGEB-DMPWYTOCSA-N 2 1 322.518 3.339 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000093067131 193199595 /nfs/dbraw/zinc/19/95/95/193199595.db2.gz LAWFKMSNEYWCMQ-HNNXBMFYSA-N 2 1 323.444 3.018 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000471835399 244257430 /nfs/dbraw/zinc/25/74/30/244257430.db2.gz NZYKHOGJXAEUFS-QUCCMNQESA-N 2 1 309.457 3.254 20 0 DGADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262110473 203201409 /nfs/dbraw/zinc/20/14/09/203201409.db2.gz GYTSOMSRKJJFGK-KXBFYZLASA-N 2 1 317.477 3.375 20 0 DGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)oc21 ZINC000471754879 244242364 /nfs/dbraw/zinc/24/23/64/244242364.db2.gz DVWLJWTYACHFJL-CYBMUJFWSA-N 2 1 313.401 3.458 20 0 DGADMP Cc1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873610 244260248 /nfs/dbraw/zinc/26/02/48/244260248.db2.gz UBOTXRRVXYCJCB-QZTJIDSGSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873610 244260253 /nfs/dbraw/zinc/26/02/53/244260253.db2.gz UBOTXRRVXYCJCB-QZTJIDSGSA-N 2 1 313.445 3.155 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000181267380 432120477 /nfs/dbraw/zinc/12/04/77/432120477.db2.gz OJUCISAXQKVEPO-ZHALLVOQSA-N 2 1 315.505 3.495 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000120175853 284162570 /nfs/dbraw/zinc/16/25/70/284162570.db2.gz FKVYEPFLTNKHSP-AWEZNQCLSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093303249 193226858 /nfs/dbraw/zinc/22/68/58/193226858.db2.gz RKWDGBTVIPWCEQ-QGZVFWFLSA-N 2 1 315.461 3.245 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093303249 193226860 /nfs/dbraw/zinc/22/68/60/193226860.db2.gz RKWDGBTVIPWCEQ-QGZVFWFLSA-N 2 1 315.461 3.245 20 0 DGADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000093482856 193258082 /nfs/dbraw/zinc/25/80/82/193258082.db2.gz MYDMOKGIXQYUPE-MJGOQNOKSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093482856 193258083 /nfs/dbraw/zinc/25/80/83/193258083.db2.gz MYDMOKGIXQYUPE-MJGOQNOKSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093482856 193258085 /nfs/dbraw/zinc/25/80/85/193258085.db2.gz MYDMOKGIXQYUPE-MJGOQNOKSA-N 2 1 318.505 3.380 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)c1 ZINC000093563652 193267948 /nfs/dbraw/zinc/26/79/48/193267948.db2.gz OIZZKRZBUZYMFO-IBGZPJMESA-N 2 1 324.472 3.323 20 0 DGADMP CCOc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC ZINC000093660023 193284352 /nfs/dbraw/zinc/28/43/52/193284352.db2.gz XNUPRYNJRHCSOV-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC ZINC000093660023 193284354 /nfs/dbraw/zinc/28/43/54/193284354.db2.gz XNUPRYNJRHCSOV-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1OC ZINC000093660023 193284355 /nfs/dbraw/zinc/28/43/55/193284355.db2.gz XNUPRYNJRHCSOV-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1OC ZINC000093660023 193284357 /nfs/dbraw/zinc/28/43/57/193284357.db2.gz XNUPRYNJRHCSOV-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP C[C@@H](c1ccccc1Br)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010796 193338156 /nfs/dbraw/zinc/33/81/56/193338156.db2.gz KWBIQDYRCSZIPT-LBPRGKRZSA-N 2 1 311.267 3.442 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093944560 193331187 /nfs/dbraw/zinc/33/11/87/193331187.db2.gz UOUNUQJKWRUYIY-HUUCEWRRSA-N 2 1 300.450 3.244 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000094070070 193343614 /nfs/dbraw/zinc/34/36/14/193343614.db2.gz RKPMRSHMBYQYAD-UHFFFAOYSA-N 2 1 317.260 3.323 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(CO)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913263 212028320 /nfs/dbraw/zinc/02/83/20/212028320.db2.gz NOTFZEUSWFFYIM-UTKZUKDTSA-N 2 1 324.468 3.179 20 0 DGADMP Cc1ccc(N2CCC([NH2+]C/C=C/c3ccncc3)CC2)[nH+]c1 ZINC000487308043 245046688 /nfs/dbraw/zinc/04/66/88/245046688.db2.gz ZUNOPLNCNOKLSH-NSCUHMNNSA-N 2 1 308.429 3.057 20 0 DGADMP Cc1cnc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000122851112 284226757 /nfs/dbraw/zinc/22/67/57/284226757.db2.gz NUBKUCZQPLRETI-CQSZACIVSA-N 2 1 319.474 3.243 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@@H]3C)CC2)cs1 ZINC000488405364 245185619 /nfs/dbraw/zinc/18/56/19/245185619.db2.gz AEDUZBVWSPQVBR-ZFWWWQNUSA-N 2 1 307.507 3.163 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)[C@H](C)C1 ZINC000124237046 284255288 /nfs/dbraw/zinc/25/52/88/284255288.db2.gz MZDSDNCPPSCPOE-SYNHAJSKSA-N 2 1 316.489 3.435 20 0 DGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000264839130 204196368 /nfs/dbraw/zinc/19/63/68/204196368.db2.gz GJRDEPOGFALLNP-SFHVURJKSA-N 2 1 302.462 3.372 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000490050384 245376710 /nfs/dbraw/zinc/37/67/10/245376710.db2.gz YURPOLTWCPNFJU-IRXDYDNUSA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000490050384 245376714 /nfs/dbraw/zinc/37/67/14/245376714.db2.gz YURPOLTWCPNFJU-IRXDYDNUSA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000490050384 245376716 /nfs/dbraw/zinc/37/67/16/245376716.db2.gz YURPOLTWCPNFJU-IRXDYDNUSA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000490050384 245376720 /nfs/dbraw/zinc/37/67/20/245376720.db2.gz YURPOLTWCPNFJU-IRXDYDNUSA-N 2 1 310.869 3.444 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274879096 212004793 /nfs/dbraw/zinc/00/47/93/212004793.db2.gz HETNNENXRXTPSR-XLIONFOSSA-N 2 1 324.468 3.435 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000268731120 432127003 /nfs/dbraw/zinc/12/70/03/432127003.db2.gz AHLXTGVAYARTPB-MRXNPFEDSA-N 2 1 308.466 3.093 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000268731120 432127006 /nfs/dbraw/zinc/12/70/06/432127006.db2.gz AHLXTGVAYARTPB-MRXNPFEDSA-N 2 1 308.466 3.093 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129152381 284399719 /nfs/dbraw/zinc/39/97/19/284399719.db2.gz SSLFDMZOQBXJIZ-YGRLFVJLSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129152381 284399722 /nfs/dbraw/zinc/39/97/22/284399722.db2.gz SSLFDMZOQBXJIZ-YGRLFVJLSA-N 2 1 315.230 3.018 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000020188931 182195466 /nfs/dbraw/zinc/19/54/66/182195466.db2.gz BOPQJMKSHRBNGQ-UHFFFAOYSA-N 2 1 311.267 3.412 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000495125730 246238049 /nfs/dbraw/zinc/23/80/49/246238049.db2.gz CBSGFXVZPLPIJX-MJGOQNOKSA-N 2 1 302.462 3.247 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1 ZINC000268788063 432135069 /nfs/dbraw/zinc/13/50/69/432135069.db2.gz CEUXGOZVGNUQGV-GJZGRUSLSA-N 2 1 309.417 3.117 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000268795487 432136464 /nfs/dbraw/zinc/13/64/64/432136464.db2.gz HUQDWNYZBDMUNQ-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000268795967 432137248 /nfs/dbraw/zinc/13/72/48/432137248.db2.gz ZWZGBJVZJQCXCL-INIZCTEOSA-N 2 1 300.450 3.253 20 0 DGADMP CC1(C)CC([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC(C)(C)[NH2+]1 ZINC000135824174 432137641 /nfs/dbraw/zinc/13/76/41/432137641.db2.gz JGCTWFXHEPRIFQ-UHFFFAOYSA-N 2 1 312.461 3.476 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OCC ZINC000268833422 432144327 /nfs/dbraw/zinc/14/43/27/432144327.db2.gz SYNLNRLXOYEPQE-CQSZACIVSA-N 2 1 317.433 3.340 20 0 DGADMP C[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C[C@@H]1n1ccnc1 ZINC000136085206 432145181 /nfs/dbraw/zinc/14/51/81/432145181.db2.gz FNOVSAJXJAGUPG-HOCLYGCPSA-N 2 1 319.836 3.498 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000193133982 296285067 /nfs/dbraw/zinc/28/50/67/296285067.db2.gz JOPFMYUMCUAFPM-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H](O)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284943814 218244168 /nfs/dbraw/zinc/24/41/68/218244168.db2.gz DXJYDUARQHLCIR-CTWPCTMYSA-N 2 1 304.478 3.180 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268774825 206946834 /nfs/dbraw/zinc/94/68/34/206946834.db2.gz AVUQXXLEAAGDNV-OAHLLOKOSA-N 2 1 301.434 3.201 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415066716 296314390 /nfs/dbraw/zinc/31/43/90/296314390.db2.gz ANWKBBUHNUUIDC-XLIONFOSSA-N 3 1 315.505 3.293 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000415066716 296314391 /nfs/dbraw/zinc/31/43/91/296314391.db2.gz ANWKBBUHNUUIDC-XLIONFOSSA-N 2 1 315.505 3.293 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000415066716 296314392 /nfs/dbraw/zinc/31/43/92/296314392.db2.gz ANWKBBUHNUUIDC-XLIONFOSSA-N 2 1 315.505 3.293 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000268871426 207039604 /nfs/dbraw/zinc/03/96/04/207039604.db2.gz PHZGCYAFTPAOFR-CYBMUJFWSA-N 2 1 304.413 3.138 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCCC2 ZINC000268861386 207029708 /nfs/dbraw/zinc/02/97/08/207029708.db2.gz SENFFLGREFCWJK-INIZCTEOSA-N 2 1 316.489 3.063 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268860784 207029828 /nfs/dbraw/zinc/02/98/28/207029828.db2.gz GADWOANETBLVKB-BPQIPLTHSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268860784 207029830 /nfs/dbraw/zinc/02/98/30/207029830.db2.gz GADWOANETBLVKB-BPQIPLTHSA-N 2 1 304.478 3.036 20 0 DGADMP CCOCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268905263 207073659 /nfs/dbraw/zinc/07/36/59/207073659.db2.gz XPZDTWIOYUCHCN-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268905263 207073661 /nfs/dbraw/zinc/07/36/61/207073661.db2.gz XPZDTWIOYUCHCN-IEBWSBKVSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCC2 ZINC000268919700 207086450 /nfs/dbraw/zinc/08/64/50/207086450.db2.gz OOSGGFAHAQSMPY-JXFKEZNVSA-N 2 1 316.489 3.063 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCC2 ZINC000268919705 207086646 /nfs/dbraw/zinc/08/66/46/207086646.db2.gz OOSGGFAHAQSMPY-UZLBHIALSA-N 2 1 316.489 3.063 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268925122 207091603 /nfs/dbraw/zinc/09/16/03/207091603.db2.gz RKJBNWWJQLEDHF-HZPDHXFCSA-N 2 1 323.444 3.364 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269003604 207157441 /nfs/dbraw/zinc/15/74/41/207157441.db2.gz VOMXYYSRPNJWKE-NLWGTHIKSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269003604 207157448 /nfs/dbraw/zinc/15/74/48/207157448.db2.gz VOMXYYSRPNJWKE-NLWGTHIKSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccncc2)cc1 ZINC000269018355 207169324 /nfs/dbraw/zinc/16/93/24/207169324.db2.gz PAGHYDYKMKZZHR-HNNXBMFYSA-N 2 1 306.413 3.469 20 0 DGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000061003128 184159771 /nfs/dbraw/zinc/15/97/71/184159771.db2.gz IHFAXAGLRAQFOM-UHFFFAOYSA-N 2 1 306.450 3.103 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1ccccn1 ZINC000269245757 207376692 /nfs/dbraw/zinc/37/66/92/207376692.db2.gz ILMVXDUSHDTCKZ-WGMWDUQUSA-N 2 1 323.484 3.370 20 0 DGADMP COC1(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000294555145 224086885 /nfs/dbraw/zinc/08/68/85/224086885.db2.gz LBOJHQMMDXQKLB-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000248585802 285007997 /nfs/dbraw/zinc/00/79/97/285007997.db2.gz XOEPDEVYTKIVJU-ZJPYXAASSA-N 2 1 324.509 3.208 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)[C@H](C)C1 ZINC000248642655 285013308 /nfs/dbraw/zinc/01/33/08/285013308.db2.gz MZDSDNCPPSCPOE-MDYRTPRTSA-N 2 1 316.489 3.435 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000248642652 285013383 /nfs/dbraw/zinc/01/33/83/285013383.db2.gz MZDSDNCPPSCPOE-KNBMTAEXSA-N 2 1 316.489 3.435 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000249330910 285068870 /nfs/dbraw/zinc/06/88/70/285068870.db2.gz WERYPHXABSVYSA-ONCXSQPRSA-N 2 1 317.521 3.388 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000249330913 285068999 /nfs/dbraw/zinc/06/89/99/285068999.db2.gz WERYPHXABSVYSA-PIKOESSRSA-N 2 1 317.521 3.388 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249595250 285082427 /nfs/dbraw/zinc/08/24/27/285082427.db2.gz PQUYNTVIJMRWQQ-CVEARBPZSA-N 2 1 322.518 3.296 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1 ZINC000337281347 253077402 /nfs/dbraw/zinc/07/74/02/253077402.db2.gz WEBHBGQLVYNMDL-UHFFFAOYSA-N 2 1 311.267 3.367 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1 ZINC000337281347 253077404 /nfs/dbraw/zinc/07/74/04/253077404.db2.gz WEBHBGQLVYNMDL-UHFFFAOYSA-N 2 1 311.267 3.367 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337398922 253106189 /nfs/dbraw/zinc/10/61/89/253106189.db2.gz CLXDTGIZJGMDFN-DWRORGKVSA-N 2 1 308.510 3.434 20 0 DGADMP OC[C@@H](CC1CCCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000338016592 253210861 /nfs/dbraw/zinc/21/08/61/253210861.db2.gz CYKRWXCHSAFTGV-HXUWFJFHSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000337995479 253206193 /nfs/dbraw/zinc/20/61/93/253206193.db2.gz NFEKYLHQERBVEU-UXHICEINSA-N 2 1 314.473 3.187 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000338008744 253209437 /nfs/dbraw/zinc/20/94/37/253209437.db2.gz DTKJSROIMYECIW-IBGZPJMESA-N 2 1 324.403 3.495 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCC[NH2+]CC1 ZINC000414715821 285103602 /nfs/dbraw/zinc/10/36/02/285103602.db2.gz NOOGXWJRARYLRY-KRWDZBQOSA-N 2 1 302.462 3.364 20 0 DGADMP CC[NH+](CC)CCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000338282120 253256446 /nfs/dbraw/zinc/25/64/46/253256446.db2.gz NWRNXKXESLSZJC-UHFFFAOYSA-N 2 1 309.542 3.306 20 0 DGADMP CC(C)CCC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000338436130 253287287 /nfs/dbraw/zinc/28/72/87/253287287.db2.gz HKAZHFBAGJPIPK-IBGZPJMESA-N 2 1 304.478 3.169 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000338545629 253308600 /nfs/dbraw/zinc/30/86/00/253308600.db2.gz BPBPQXINRHLAAY-CYBMUJFWSA-N 2 1 316.898 3.334 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3)CC[C@@H]21 ZINC000158973614 197314806 /nfs/dbraw/zinc/31/48/06/197314806.db2.gz CYLBRLUWGOPXQB-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)CC[C@@H]21 ZINC000158973614 197314808 /nfs/dbraw/zinc/31/48/08/197314808.db2.gz CYLBRLUWGOPXQB-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)CC[C@@H]21 ZINC000158973614 197314810 /nfs/dbraw/zinc/31/48/10/197314810.db2.gz CYLBRLUWGOPXQB-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000158905719 197310221 /nfs/dbraw/zinc/31/02/21/197310221.db2.gz DUYJZZKWKRDZNT-QZTJIDSGSA-N 2 1 314.477 3.162 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000286512881 219029194 /nfs/dbraw/zinc/02/91/94/219029194.db2.gz QHTAWLPBOLNUSF-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000286512881 219029197 /nfs/dbraw/zinc/02/91/97/219029197.db2.gz QHTAWLPBOLNUSF-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000286512881 219029199 /nfs/dbraw/zinc/02/91/99/219029199.db2.gz QHTAWLPBOLNUSF-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000286512881 219029202 /nfs/dbraw/zinc/02/92/02/219029202.db2.gz QHTAWLPBOLNUSF-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP CCc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000342562282 254008110 /nfs/dbraw/zinc/00/81/10/254008110.db2.gz HYNCSVMFNSCVGB-AEFFLSMTSA-N 2 1 324.472 3.234 20 0 DGADMP CCc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000342562282 254008111 /nfs/dbraw/zinc/00/81/11/254008111.db2.gz HYNCSVMFNSCVGB-AEFFLSMTSA-N 2 1 324.472 3.234 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CNCc2cnc(C(C)(C)C)nc2)C1 ZINC000342774784 254047518 /nfs/dbraw/zinc/04/75/18/254047518.db2.gz HVQDBOUDPJFIQG-MRXNPFEDSA-N 2 1 318.509 3.232 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342774784 254047519 /nfs/dbraw/zinc/04/75/19/254047519.db2.gz HVQDBOUDPJFIQG-MRXNPFEDSA-N 2 1 318.509 3.232 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342774784 254047522 /nfs/dbraw/zinc/04/75/22/254047522.db2.gz HVQDBOUDPJFIQG-MRXNPFEDSA-N 2 1 318.509 3.232 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C)n1 ZINC000342808815 254056462 /nfs/dbraw/zinc/05/64/62/254056462.db2.gz DTUQULMBBYQKDB-CQSZACIVSA-N 2 1 309.417 3.073 20 0 DGADMP CCc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342826057 254061086 /nfs/dbraw/zinc/06/10/86/254061086.db2.gz SACAGVZRNYSVKQ-YJBOKZPZSA-N 2 1 324.472 3.092 20 0 DGADMP CCc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342826057 254061088 /nfs/dbraw/zinc/06/10/88/254061088.db2.gz SACAGVZRNYSVKQ-YJBOKZPZSA-N 2 1 324.472 3.092 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000342953567 254080260 /nfs/dbraw/zinc/08/02/60/254080260.db2.gz SUFKZIDBYUJUEE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000342953567 254080262 /nfs/dbraw/zinc/08/02/62/254080262.db2.gz SUFKZIDBYUJUEE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953567 254080263 /nfs/dbraw/zinc/08/02/63/254080263.db2.gz SUFKZIDBYUJUEE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953567 254080265 /nfs/dbraw/zinc/08/02/65/254080265.db2.gz SUFKZIDBYUJUEE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP CCC1(CC)[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H](C)[C@@H]1OC ZINC000344082497 254222678 /nfs/dbraw/zinc/22/26/78/254222678.db2.gz ZEJOACISRFVOHX-UAGQMJEPSA-N 2 1 307.482 3.401 20 0 DGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1(C)C ZINC000344173987 254235303 /nfs/dbraw/zinc/23/53/03/254235303.db2.gz PZNJXRURITXCKP-USXIJHARSA-N 2 1 307.482 3.401 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000344294445 254252201 /nfs/dbraw/zinc/25/22/01/254252201.db2.gz SJZIPICIAIYYOZ-PKOBYXMFSA-N 2 1 300.446 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000344624222 254290032 /nfs/dbraw/zinc/29/00/32/254290032.db2.gz IGJUTCOGWYOBLQ-WBMJQRKESA-N 2 1 318.852 3.302 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000344624220 254290178 /nfs/dbraw/zinc/29/01/78/254290178.db2.gz IGJUTCOGWYOBLQ-LRDDRELGSA-N 2 1 318.852 3.302 20 0 DGADMP CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000344632288 254291165 /nfs/dbraw/zinc/29/11/65/254291165.db2.gz QHRDIRDWSQSFGV-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1OCC ZINC000344632288 254291166 /nfs/dbraw/zinc/29/11/66/254291166.db2.gz QHRDIRDWSQSFGV-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000344632288 254291168 /nfs/dbraw/zinc/29/11/68/254291168.db2.gz QHRDIRDWSQSFGV-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000344632288 254291170 /nfs/dbraw/zinc/29/11/70/254291170.db2.gz QHRDIRDWSQSFGV-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@@H]1C[C@@H](NCc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664931 254294545 /nfs/dbraw/zinc/29/45/45/254294545.db2.gz JMCGNSTZLUVYAV-YPMHNXCESA-N 2 1 307.488 3.444 20 0 DGADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000344526064 254279669 /nfs/dbraw/zinc/27/96/69/254279669.db2.gz KJXVEQQKSXCDET-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000344526064 254279670 /nfs/dbraw/zinc/27/96/70/254279670.db2.gz KJXVEQQKSXCDET-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP CCCOc1c(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1OCC ZINC000344686453 254295884 /nfs/dbraw/zinc/29/58/84/254295884.db2.gz RVFBUZGSYFDCHD-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cccc1OCC ZINC000344686453 254295886 /nfs/dbraw/zinc/29/58/86/254295886.db2.gz RVFBUZGSYFDCHD-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000344782791 254305596 /nfs/dbraw/zinc/30/55/96/254305596.db2.gz YMKHEUNBHCVACA-SJORKVTESA-N 2 1 302.462 3.363 20 0 DGADMP Cc1c([C@H](C)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cnn1C(C)(C)C ZINC000345320487 254353159 /nfs/dbraw/zinc/35/31/59/254353159.db2.gz YUXPWHIROPXMSZ-GDZNZVCISA-N 2 1 304.482 3.080 20 0 DGADMP Cc1c([C@H](C)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cnn1C(C)(C)C ZINC000345320487 254353160 /nfs/dbraw/zinc/35/31/60/254353160.db2.gz YUXPWHIROPXMSZ-GDZNZVCISA-N 2 1 304.482 3.080 20 0 DGADMP O[C@@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000345728337 254392307 /nfs/dbraw/zinc/39/23/07/254392307.db2.gz WKZTUAKFDYXCFR-ROUUACIJSA-N 2 1 322.880 3.228 20 0 DGADMP CC[NH+](CC)Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000345764834 254395291 /nfs/dbraw/zinc/39/52/91/254395291.db2.gz FMKZXJYGHFAYDG-UHFFFAOYSA-N 2 1 314.433 3.174 20 0 DGADMP C[C@H](CCN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208740 197095158 /nfs/dbraw/zinc/09/51/58/197095158.db2.gz OGOLPJBPXRRHQH-XSYGEPLQSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CCN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208740 197095160 /nfs/dbraw/zinc/09/51/60/197095160.db2.gz OGOLPJBPXRRHQH-XSYGEPLQSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CCN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208740 197095162 /nfs/dbraw/zinc/09/51/62/197095162.db2.gz OGOLPJBPXRRHQH-XSYGEPLQSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208740 197095164 /nfs/dbraw/zinc/09/51/64/197095164.db2.gz OGOLPJBPXRRHQH-XSYGEPLQSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208740 197095165 /nfs/dbraw/zinc/09/51/65/197095165.db2.gz OGOLPJBPXRRHQH-XSYGEPLQSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208740 197095167 /nfs/dbraw/zinc/09/51/67/197095167.db2.gz OGOLPJBPXRRHQH-XSYGEPLQSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208740 197095169 /nfs/dbraw/zinc/09/51/69/197095169.db2.gz OGOLPJBPXRRHQH-XSYGEPLQSA-N 3 1 317.521 3.215 20 0 DGADMP Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)co2)cc1 ZINC000155102429 197022832 /nfs/dbraw/zinc/02/28/32/197022832.db2.gz KHLPZSZBLOVKQU-WBVHZDCISA-N 2 1 313.445 3.265 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000271593297 209043367 /nfs/dbraw/zinc/04/33/67/209043367.db2.gz TZXHFFJZNUZZHO-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000271593297 209043369 /nfs/dbraw/zinc/04/33/69/209043369.db2.gz TZXHFFJZNUZZHO-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP COc1ccc([C@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289626066 221111487 /nfs/dbraw/zinc/11/14/87/221111487.db2.gz LSJRIJPDTJUMMK-NAZJXLNTSA-N 2 1 302.462 3.356 20 0 DGADMP COc1ccc([C@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289626066 221111491 /nfs/dbraw/zinc/11/14/91/221111491.db2.gz LSJRIJPDTJUMMK-NAZJXLNTSA-N 2 1 302.462 3.356 20 0 DGADMP COc1ccc([C@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289626066 221111493 /nfs/dbraw/zinc/11/14/93/221111493.db2.gz LSJRIJPDTJUMMK-NAZJXLNTSA-N 2 1 302.462 3.356 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC000289882952 221291041 /nfs/dbraw/zinc/29/10/41/221291041.db2.gz SQIOKYNVQKXDEY-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC000289882952 221291045 /nfs/dbraw/zinc/29/10/45/221291045.db2.gz SQIOKYNVQKXDEY-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COCCOc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120964235 195272383 /nfs/dbraw/zinc/27/23/83/195272383.db2.gz UNDHRSRXWYVVHK-UHFFFAOYSA-N 2 1 320.477 3.111 20 0 DGADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C1CCC1 ZINC000353802741 285362201 /nfs/dbraw/zinc/36/22/01/285362201.db2.gz INRHEEFPACELTC-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000121865120 195364502 /nfs/dbraw/zinc/36/45/02/195364502.db2.gz AQPBPUATWLWMLP-GOSISDBHSA-N 2 1 302.462 3.046 20 0 DGADMP COC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000125213386 195723787 /nfs/dbraw/zinc/72/37/87/195723787.db2.gz IPOHHRUXFCSLPI-BEFAXECRSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408523 533381360 /nfs/dbraw/zinc/38/13/60/533381360.db2.gz BSUVAIDUGLYRDL-QZTJIDSGSA-N 2 1 318.505 3.443 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000432408523 533381364 /nfs/dbraw/zinc/38/13/64/533381364.db2.gz BSUVAIDUGLYRDL-QZTJIDSGSA-N 2 1 318.505 3.443 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C ZINC000292388698 533412634 /nfs/dbraw/zinc/41/26/34/533412634.db2.gz SCNVRBSWONGBJL-AWEZNQCLSA-N 2 1 317.477 3.013 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C ZINC000292388698 533412640 /nfs/dbraw/zinc/41/26/40/533412640.db2.gz SCNVRBSWONGBJL-AWEZNQCLSA-N 2 1 317.477 3.013 20 0 DGADMP C[C@@H](CCCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000296587758 533561410 /nfs/dbraw/zinc/56/14/10/533561410.db2.gz UUPIOFDIJODWJQ-FRYIKTPZSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000415100422 533639625 /nfs/dbraw/zinc/63/96/25/533639625.db2.gz AGNDUHLKGIANIC-GXTWGEPZSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067830 533657268 /nfs/dbraw/zinc/65/72/68/533657268.db2.gz PYHLANZSZOCYKZ-UXPWSPDFSA-N 2 1 315.505 3.147 20 0 DGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423469443 292010131 /nfs/dbraw/zinc/01/01/31/292010131.db2.gz FWEXXOAEVBWSIQ-GOEBONIOSA-N 2 1 324.415 3.352 20 0 DGADMP COC(=O)c1cc([C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)oc1C ZINC000292598671 400094020 /nfs/dbraw/zinc/09/40/20/400094020.db2.gz KYYOVSTVBSBIIX-NSHDSACASA-N 2 1 317.389 3.038 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000091306431 400111897 /nfs/dbraw/zinc/11/18/97/400111897.db2.gz GFIBVTRJCAOXKI-HXUWFJFHSA-N 2 1 316.489 3.354 20 0 DGADMP Cc1cnn(CCCCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000600636292 400116747 /nfs/dbraw/zinc/11/67/47/400116747.db2.gz YMDLTLQRGUTQQF-UHFFFAOYSA-N 2 1 320.525 3.414 20 0 DGADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000090919119 400082813 /nfs/dbraw/zinc/08/28/13/400082813.db2.gz KTJLWNQBPBINLQ-LSDHHAIUSA-N 2 1 306.400 3.213 20 0 DGADMP CC(C)(C)c1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000090948589 400083482 /nfs/dbraw/zinc/08/34/82/400083482.db2.gz BMRZUEKKZKFOAB-DZGCQCFKSA-N 2 1 307.507 3.200 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)cs1 ZINC000401826610 400292188 /nfs/dbraw/zinc/29/21/88/400292188.db2.gz DKDYZUTVLUQWIC-SECBINFHSA-N 2 1 314.252 3.137 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1SC ZINC000069160169 400314476 /nfs/dbraw/zinc/31/44/76/400314476.db2.gz LVYIELOLYLJVDW-OAHLLOKOSA-N 2 1 308.491 3.237 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000069730082 400341226 /nfs/dbraw/zinc/34/12/26/400341226.db2.gz DZMMXJVVPKOGAV-UHFFFAOYSA-N 2 1 303.269 3.071 20 0 DGADMP OCCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000072925934 400414976 /nfs/dbraw/zinc/41/49/76/400414976.db2.gz CIAACLWYEFDKQV-UHFFFAOYSA-N 2 1 316.489 3.183 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072826033 400406949 /nfs/dbraw/zinc/40/69/49/400406949.db2.gz COOUCBMHGBKXGY-GOSISDBHSA-N 2 1 324.428 3.039 20 0 DGADMP CS[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000590656528 400410873 /nfs/dbraw/zinc/41/08/73/400410873.db2.gz ISEFYDLYTURPCJ-GOSISDBHSA-N 2 1 320.502 3.099 20 0 DGADMP CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000590777447 400433413 /nfs/dbraw/zinc/43/34/13/400433413.db2.gz HAKXTBSLQTVVIO-KZNAEPCWSA-N 2 1 304.503 3.382 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000590787185 400434256 /nfs/dbraw/zinc/43/42/56/400434256.db2.gz ZKWWYWVISQNJQU-UHFFFAOYSA-N 2 1 308.441 3.257 20 0 DGADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000603109544 400642429 /nfs/dbraw/zinc/64/24/29/400642429.db2.gz DEOUTGVKPRGDQX-HNNXBMFYSA-N 2 1 322.449 3.325 20 0 DGADMP COC(=O)c1sccc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603113174 400643760 /nfs/dbraw/zinc/64/37/60/400643760.db2.gz YZUZDBZSJDNPLS-UHFFFAOYSA-N 2 1 324.490 3.233 20 0 DGADMP COC(=O)c1sccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603113174 400643762 /nfs/dbraw/zinc/64/37/62/400643762.db2.gz YZUZDBZSJDNPLS-UHFFFAOYSA-N 2 1 324.490 3.233 20 0 DGADMP CCOc1ccccc1OCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000075681720 400604210 /nfs/dbraw/zinc/60/42/10/400604210.db2.gz WDHQYNUGOYTNNO-UHFFFAOYSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000075681720 400604214 /nfs/dbraw/zinc/60/42/14/400604214.db2.gz WDHQYNUGOYTNNO-UHFFFAOYSA-N 2 1 320.477 3.269 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000076398379 400651928 /nfs/dbraw/zinc/65/19/28/400651928.db2.gz MIRLRMMIIQXPPT-CQSZACIVSA-N 2 1 316.367 3.405 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000603516809 400696924 /nfs/dbraw/zinc/69/69/24/400696924.db2.gz DEHCXQGPIJSBIF-IBGZPJMESA-N 2 1 302.462 3.036 20 0 DGADMP Clc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517353 400697150 /nfs/dbraw/zinc/69/71/50/400697150.db2.gz RBORPQYYWJITCU-QGZVFWFLSA-N 2 1 308.853 3.073 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000078421901 400798006 /nfs/dbraw/zinc/79/80/06/400798006.db2.gz PJQJFTUOWHDEMD-UHFFFAOYSA-N 2 1 324.852 3.075 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccccc2Cl)CC1 ZINC000079815838 400898380 /nfs/dbraw/zinc/89/83/80/400898380.db2.gz URBXCOUEFXIVRE-KRWDZBQOSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccccc2Cl)CC1 ZINC000079815838 400898382 /nfs/dbraw/zinc/89/83/82/400898382.db2.gz URBXCOUEFXIVRE-KRWDZBQOSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccccc2Cl)CC1 ZINC000079815840 400898541 /nfs/dbraw/zinc/89/85/41/400898541.db2.gz URBXCOUEFXIVRE-QGZVFWFLSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccccc2Cl)CC1 ZINC000079815840 400898543 /nfs/dbraw/zinc/89/85/43/400898543.db2.gz URBXCOUEFXIVRE-QGZVFWFLSA-N 2 1 310.869 3.178 20 0 DGADMP Clc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000629513481 400952716 /nfs/dbraw/zinc/95/27/16/400952716.db2.gz GYSUHWUXXBKDJA-GARXJVFOSA-N 2 1 320.864 3.181 20 0 DGADMP COC(=O)CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960888 400912394 /nfs/dbraw/zinc/91/23/94/400912394.db2.gz PJFTWNNLEDYPHI-DLBZAZTESA-N 2 1 318.461 3.143 20 0 DGADMP COC(=O)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960888 400912401 /nfs/dbraw/zinc/91/24/01/400912401.db2.gz PJFTWNNLEDYPHI-DLBZAZTESA-N 2 1 318.461 3.143 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000598975305 400917140 /nfs/dbraw/zinc/91/71/40/400917140.db2.gz WEMHKSSGOVBMTI-GPANFISMSA-N 2 1 324.509 3.349 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000629517962 400954389 /nfs/dbraw/zinc/95/43/89/400954389.db2.gz BTWHJLJSNWXABU-XIRDDKMYSA-N 2 1 301.478 3.327 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@@H]1C(F)(F)F ZINC000629654857 401019491 /nfs/dbraw/zinc/01/94/91/401019491.db2.gz IXUQNJPZKVBKFY-HOTGVXAUSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@@H]1C(F)(F)F ZINC000629654857 401019500 /nfs/dbraw/zinc/01/95/00/401019500.db2.gz IXUQNJPZKVBKFY-HOTGVXAUSA-N 2 1 323.362 3.194 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629654922 401020258 /nfs/dbraw/zinc/02/02/58/401020258.db2.gz JOXLZAUGRSGJID-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629654922 401020266 /nfs/dbraw/zinc/02/02/66/401020266.db2.gz JOXLZAUGRSGJID-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1 ZINC000629561505 400975231 /nfs/dbraw/zinc/97/52/31/400975231.db2.gz IEEGCSIRPXQYEK-CABCVRRESA-N 2 1 300.368 3.263 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561366 400975897 /nfs/dbraw/zinc/97/58/97/400975897.db2.gz HXLIINQBDQXTNB-MXWKQRLJSA-N 2 1 302.331 3.127 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629559521 400975958 /nfs/dbraw/zinc/97/59/58/400975958.db2.gz BGXHJMOWMRFBHI-HUUCEWRRSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629559521 400975960 /nfs/dbraw/zinc/97/59/60/400975960.db2.gz BGXHJMOWMRFBHI-HUUCEWRRSA-N 2 1 300.368 3.208 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@@H]1C(F)(F)F ZINC000629563300 400978410 /nfs/dbraw/zinc/97/84/10/400978410.db2.gz OZRAPQMSKQKSJW-ZFWWWQNUSA-N 2 1 318.358 3.217 20 0 DGADMP CSc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564538 400980112 /nfs/dbraw/zinc/98/01/12/400980112.db2.gz SNSAPEYPVMHLCI-CHWSQXEVSA-N 2 1 318.408 3.368 20 0 DGADMP CSc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564538 400980115 /nfs/dbraw/zinc/98/01/15/400980115.db2.gz SNSAPEYPVMHLCI-CHWSQXEVSA-N 2 1 318.408 3.368 20 0 DGADMP CC[C@@H]([NH3+])Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629733517 401064509 /nfs/dbraw/zinc/06/45/09/401064509.db2.gz WKCBWCSNFUDLKJ-OAQYLSRUSA-N 2 1 324.468 3.466 20 0 DGADMP C[C@H](CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248885358 401079551 /nfs/dbraw/zinc/07/95/51/401079551.db2.gz LZLNREKXQHAJEH-MJGOQNOKSA-N 2 1 304.478 3.007 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656591 401022065 /nfs/dbraw/zinc/02/20/65/401022065.db2.gz PKPWYXYCOOZTNR-HIFRSBDPSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656591 401022068 /nfs/dbraw/zinc/02/20/68/401022068.db2.gz PKPWYXYCOOZTNR-HIFRSBDPSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2coc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629657368 401022757 /nfs/dbraw/zinc/02/27/57/401022757.db2.gz WZFLKLHBNQHAGZ-FZMZJTMJSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629657368 401022763 /nfs/dbraw/zinc/02/27/63/401022763.db2.gz WZFLKLHBNQHAGZ-FZMZJTMJSA-N 2 1 312.335 3.392 20 0 DGADMP Cc1nccn1CCC[N@H+](C)[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000599333897 401024906 /nfs/dbraw/zinc/02/49/06/401024906.db2.gz BLRFJPFPQMHCIO-MRXNPFEDSA-N 2 1 323.481 3.270 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000599333897 401024914 /nfs/dbraw/zinc/02/49/14/401024914.db2.gz BLRFJPFPQMHCIO-MRXNPFEDSA-N 2 1 323.481 3.270 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317608 286030014 /nfs/dbraw/zinc/03/00/14/286030014.db2.gz KYGANIHLFBSNRQ-KCXAZCMYSA-N 2 1 306.425 3.358 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317608 286030016 /nfs/dbraw/zinc/03/00/16/286030016.db2.gz KYGANIHLFBSNRQ-KCXAZCMYSA-N 2 1 306.425 3.358 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1CO ZINC000621373086 401190832 /nfs/dbraw/zinc/19/08/32/401190832.db2.gz BGDIEYNLBAEBID-PXNSSMCTSA-N 2 1 316.489 3.123 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC000621373807 401191221 /nfs/dbraw/zinc/19/12/21/401191221.db2.gz OPUMYFGYXMIHNA-YLJYHZDGSA-N 2 1 316.489 3.123 20 0 DGADMP CC1CC(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000621384512 401195613 /nfs/dbraw/zinc/19/56/13/401195613.db2.gz JOYIMMPFPDBHQB-UHFFFAOYSA-N 2 1 304.453 3.468 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000089515549 401225627 /nfs/dbraw/zinc/22/56/27/401225627.db2.gz PWWQRAONGCRYSU-OAGGEKHMSA-N 2 1 322.518 3.353 20 0 DGADMP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000090593121 401270579 /nfs/dbraw/zinc/27/05/79/401270579.db2.gz MNSMEDFRSJCEEX-PKOBYXMFSA-N 2 1 302.462 3.369 20 0 DGADMP CS[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090724956 401272263 /nfs/dbraw/zinc/27/22/63/401272263.db2.gz PLRPAITXIGAXBH-AWEZNQCLSA-N 2 1 310.482 3.174 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090801149 401273685 /nfs/dbraw/zinc/27/36/85/401273685.db2.gz WUSVNUZCENODLX-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090801149 401273692 /nfs/dbraw/zinc/27/36/92/401273692.db2.gz WUSVNUZCENODLX-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000358349492 286039097 /nfs/dbraw/zinc/03/90/97/286039097.db2.gz CPOUCBZQIRGLBF-CYBMUJFWSA-N 2 1 317.260 3.446 20 0 DGADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000358349257 286039148 /nfs/dbraw/zinc/03/91/48/286039148.db2.gz DLKROLOMTYNNJZ-XLIONFOSSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000358349257 286039149 /nfs/dbraw/zinc/03/91/49/286039149.db2.gz DLKROLOMTYNNJZ-XLIONFOSSA-N 2 1 309.457 3.390 20 0 DGADMP O[C@@H]1CC[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]12 ZINC000626139844 401311077 /nfs/dbraw/zinc/31/10/77/401311077.db2.gz BXMGQNAZZMQHJY-XUVXKRRUSA-N 2 1 314.473 3.018 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1F ZINC000634679432 401331631 /nfs/dbraw/zinc/33/16/31/401331631.db2.gz UVHXBZJDAYSACE-OAHLLOKOSA-N 2 1 317.408 3.367 20 0 DGADMP c1cnc2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC000634687935 401335190 /nfs/dbraw/zinc/33/51/90/401335190.db2.gz DCDNXFFJTMMEKS-IRXDYDNUSA-N 2 1 309.457 3.446 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732674 401341434 /nfs/dbraw/zinc/34/14/34/401341434.db2.gz LVJPSCPOBLAMMT-INIZCTEOSA-N 2 1 313.445 3.111 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)ccn1 ZINC000626062531 401291823 /nfs/dbraw/zinc/29/18/23/401291823.db2.gz VYISFKNGGKJDGN-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP Cc1cc(C)c(/C=C/C[NH2+]C2(CCO)CC[NH+](C)CC2)c(C)c1 ZINC000631166106 401413384 /nfs/dbraw/zinc/41/33/84/401413384.db2.gz GLFMCNVLUJSHDU-AATRIKPKSA-N 2 1 316.489 3.061 20 0 DGADMP CCC[N@@H+](Cc1cccc(-c2ccc(N)cc2)n1)C1CC[NH2+]CC1 ZINC000634990882 401396635 /nfs/dbraw/zinc/39/66/35/401396635.db2.gz GUJBPLLBANPUHO-UHFFFAOYSA-N 2 1 324.472 3.295 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635003087 401398499 /nfs/dbraw/zinc/39/84/99/401398499.db2.gz FSXHMBLNUSMGIA-YWPYICTPSA-N 2 1 317.399 3.024 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nc2c(s1)CCCC2 ZINC000635009497 401402014 /nfs/dbraw/zinc/40/20/14/401402014.db2.gz HGPICPMIUDWEHF-QWHCGFSZSA-N 2 1 307.507 3.451 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nc2ccccc2n1C ZINC000635010000 401402990 /nfs/dbraw/zinc/40/29/90/401402990.db2.gz IPUSDIVOUPODQZ-KBPBESRZSA-N 2 1 300.450 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCSCC1 ZINC000631196279 401423608 /nfs/dbraw/zinc/42/36/08/401423608.db2.gz PTUXIJZIUKAGHI-DOTOQJQBSA-N 2 1 304.503 3.240 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC000631196278 401423822 /nfs/dbraw/zinc/42/38/22/401423822.db2.gz PSLCURWQXQTOMT-ZBFHGGJFSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC000631196278 401423824 /nfs/dbraw/zinc/42/38/24/401423824.db2.gz PSLCURWQXQTOMT-ZBFHGGJFSA-N 2 1 301.459 3.001 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000631562906 401497826 /nfs/dbraw/zinc/49/78/26/401497826.db2.gz RRZUXHFUBBQLDG-OAHLLOKOSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623358258 401500073 /nfs/dbraw/zinc/50/00/73/401500073.db2.gz VVFSZRYQZCBGOU-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572302 401501300 /nfs/dbraw/zinc/50/13/00/401501300.db2.gz OXDGNMJWARIRNI-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572302 401501302 /nfs/dbraw/zinc/50/13/02/401501302.db2.gz OXDGNMJWARIRNI-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1Cl ZINC000623402632 401509042 /nfs/dbraw/zinc/50/90/42/401509042.db2.gz RKPNRQYDOROIBL-GFCCVEGCSA-N 2 1 307.825 3.279 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(OC)c1OC ZINC000631652548 401524587 /nfs/dbraw/zinc/52/45/87/401524587.db2.gz RUAQABDOQJJILL-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631652548 401524591 /nfs/dbraw/zinc/52/45/91/401524591.db2.gz RUAQABDOQJJILL-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000631652222 401524872 /nfs/dbraw/zinc/52/48/72/401524872.db2.gz OWHNJJBSONFYRQ-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000631652222 401524873 /nfs/dbraw/zinc/52/48/73/401524873.db2.gz OWHNJJBSONFYRQ-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631671068 401531817 /nfs/dbraw/zinc/53/18/17/401531817.db2.gz XMTIPPYLNSLONP-QXAKKESOSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cc2c1 ZINC000623656849 401563020 /nfs/dbraw/zinc/56/30/20/401563020.db2.gz DFCQPLJLXNVTDZ-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)cc2c1 ZINC000623656849 401563023 /nfs/dbraw/zinc/56/30/23/401563023.db2.gz DFCQPLJLXNVTDZ-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000623657509 401563472 /nfs/dbraw/zinc/56/34/72/401563472.db2.gz SITMDGANQBIUCE-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000623657509 401563474 /nfs/dbraw/zinc/56/34/74/401563474.db2.gz SITMDGANQBIUCE-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(C)sc1C ZINC000623871390 401591723 /nfs/dbraw/zinc/59/17/23/401591723.db2.gz COHXNHMESABDLD-DOTOQJQBSA-N 2 1 310.507 3.252 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000623888510 401594623 /nfs/dbraw/zinc/59/46/23/401594623.db2.gz JOWXZCMJLALYER-FQEVSTJZSA-N 2 1 317.521 3.015 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1O ZINC000628425954 401595734 /nfs/dbraw/zinc/59/57/34/401595734.db2.gz ZZHOAZYFLXYCME-WBVHZDCISA-N 2 1 320.477 3.043 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631755091 401550193 /nfs/dbraw/zinc/55/01/93/401550193.db2.gz YEFMVPFBUHYVAT-ARLBYUKCSA-N 2 1 312.379 3.437 20 0 DGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)cc1F ZINC000631834749 401559964 /nfs/dbraw/zinc/55/99/64/401559964.db2.gz FCTHLZUZSFKTID-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000628252661 401561415 /nfs/dbraw/zinc/56/14/15/401561415.db2.gz CBYNRTFUQZWPNM-CQSZACIVSA-N 2 1 323.362 3.297 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000624119355 401628033 /nfs/dbraw/zinc/62/80/33/401628033.db2.gz AEKYEICQXLWXKI-IRXDYDNUSA-N 3 1 312.461 3.255 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119686 401628436 /nfs/dbraw/zinc/62/84/36/401628436.db2.gz HDBUVKPGBOAARV-IAGOWNOFSA-N 2 1 317.477 3.034 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCCO2 ZINC000624121974 401628937 /nfs/dbraw/zinc/62/89/37/401628937.db2.gz HEMVEUKKOCSSBY-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624121974 401628938 /nfs/dbraw/zinc/62/89/38/401628938.db2.gz HEMVEUKKOCSSBY-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121758 401629236 /nfs/dbraw/zinc/62/92/36/401629236.db2.gz CLSKYLPJOVFWIF-JKSUJKDBSA-N 2 1 314.477 3.206 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000623977836 401608204 /nfs/dbraw/zinc/60/82/04/401608204.db2.gz BVBMHCTXZNXSPF-LJQANCHMSA-N 2 1 317.521 3.013 20 0 DGADMP c1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298338065 296618271 /nfs/dbraw/zinc/61/82/71/296618271.db2.gz JCOBLLNKDRAWLY-XLIONFOSSA-N 2 1 314.473 3.371 20 0 DGADMP [O-]c1cccc2c(NC[C@H]3CCCN3CC(F)F)cc[nH+]c12 ZINC000624519344 401667523 /nfs/dbraw/zinc/66/75/23/401667523.db2.gz DEJOPYUYLRSKBK-LLVKDONJSA-N 2 1 307.344 3.082 20 0 DGADMP OCc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000358722381 286133140 /nfs/dbraw/zinc/13/31/40/286133140.db2.gz YYQJIRWTNVVASS-UHFFFAOYSA-N 2 1 302.462 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000358835810 286165376 /nfs/dbraw/zinc/16/53/76/286165376.db2.gz VKSCZEUJPGPAFK-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000358835810 286165377 /nfs/dbraw/zinc/16/53/77/286165377.db2.gz VKSCZEUJPGPAFK-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358992762 286208811 /nfs/dbraw/zinc/20/88/11/286208811.db2.gz RBTWXOKYCKDMKK-DAYGRLMNSA-N 2 1 316.493 3.040 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000359089633 286234308 /nfs/dbraw/zinc/23/43/08/286234308.db2.gz YSLDZQQTXICQIB-ROUUACIJSA-N 2 1 306.494 3.213 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000359297751 286278000 /nfs/dbraw/zinc/27/80/00/286278000.db2.gz FLEGCMSWNUFNIM-UHFFFAOYSA-N 2 1 321.424 3.291 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@@H]2C)cc1 ZINC000420293745 286356835 /nfs/dbraw/zinc/35/68/35/286356835.db2.gz AGCIETZWLLYEQH-YJBOKZPZSA-N 2 1 310.441 3.357 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000423321241 286362708 /nfs/dbraw/zinc/36/27/08/286362708.db2.gz FDLCXQFJSAHCKA-GBESFXJTSA-N 2 1 314.473 3.453 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415034690 286367239 /nfs/dbraw/zinc/36/72/39/286367239.db2.gz CXCAVQIRFAGQJL-AYBZRNKSSA-N 2 1 302.462 3.263 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C2CC2)[NH+](C)C)cc1OC ZINC000474620465 286371209 /nfs/dbraw/zinc/37/12/09/286371209.db2.gz WPHXYNQVNUZKMH-CKEIUWERSA-N 2 1 320.477 3.126 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000359935476 286391879 /nfs/dbraw/zinc/39/18/79/286391879.db2.gz POJCEFMVACCJCV-IXDOHACOSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000359937720 286392589 /nfs/dbraw/zinc/39/25/89/286392589.db2.gz WXFJWVGPRQFCTH-APWZRJJASA-N 2 1 304.478 3.433 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(F)(F)F ZINC000360038140 286412396 /nfs/dbraw/zinc/41/23/96/286412396.db2.gz GRXHREFGUSGVOI-GJZGRUSLSA-N 2 1 322.415 3.075 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(F)(F)F ZINC000360038138 286412496 /nfs/dbraw/zinc/41/24/96/286412496.db2.gz GRXHREFGUSGVOI-CABCVRRESA-N 2 1 322.415 3.075 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000360245583 286449618 /nfs/dbraw/zinc/44/96/18/286449618.db2.gz PBMFDVQDHMOGHW-SFHVURJKSA-N 2 1 323.484 3.309 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000360412924 286477473 /nfs/dbraw/zinc/47/74/73/286477473.db2.gz JKIUTYGBBRVKBM-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP COC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364350839 287017046 /nfs/dbraw/zinc/01/70/46/287017046.db2.gz DPOCYLHTMWIUNB-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000364358392 287017746 /nfs/dbraw/zinc/01/77/46/287017746.db2.gz LSHHSFCZSBSQJT-AABGKKOBSA-N 2 1 321.553 3.303 20 0 DGADMP Cc1n[nH]cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364443487 287027526 /nfs/dbraw/zinc/02/75/26/287027526.db2.gz TXECMHBSGBNZBR-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(N2CCCC2)c1 ZINC000181893050 287029750 /nfs/dbraw/zinc/02/97/50/287029750.db2.gz SFSUDRGOAISIPZ-AEFFLSMTSA-N 2 1 301.478 3.422 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000186549076 165050669 /nfs/dbraw/zinc/05/06/69/165050669.db2.gz BVFUNZBWMDHHEA-MRXNPFEDSA-N 2 1 301.459 3.063 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000186549076 165050670 /nfs/dbraw/zinc/05/06/70/165050670.db2.gz BVFUNZBWMDHHEA-MRXNPFEDSA-N 2 1 301.459 3.063 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000190698757 165213012 /nfs/dbraw/zinc/21/30/12/165213012.db2.gz XASKYKRWDMZRSX-UHFFFAOYSA-N 2 1 320.440 3.224 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000191806025 165270471 /nfs/dbraw/zinc/27/04/71/165270471.db2.gz VXQQBYOBPWZSBY-HOTGVXAUSA-N 2 1 310.507 3.368 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000191806025 165270476 /nfs/dbraw/zinc/27/04/76/165270476.db2.gz VXQQBYOBPWZSBY-HOTGVXAUSA-N 2 1 310.507 3.368 20 0 DGADMP CC(C)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192728410 165303557 /nfs/dbraw/zinc/30/35/57/165303557.db2.gz GISVDECPKIXAJW-AYHJJNSGSA-N 2 1 302.462 3.436 20 0 DGADMP CC(C)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192728410 165303565 /nfs/dbraw/zinc/30/35/65/165303565.db2.gz GISVDECPKIXAJW-AYHJJNSGSA-N 2 1 302.462 3.436 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192932139 165309492 /nfs/dbraw/zinc/30/94/92/165309492.db2.gz NNDMFNPFVBYMNI-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(C)c1 ZINC000193014757 165314511 /nfs/dbraw/zinc/31/45/11/165314511.db2.gz UFZKVQNEWPVVIF-HQSKLWIPSA-N 2 1 302.462 3.367 20 0 DGADMP Brc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641461 165378253 /nfs/dbraw/zinc/37/82/53/165378253.db2.gz DCRWQIGOXWMBFG-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217641461 165378255 /nfs/dbraw/zinc/37/82/55/165378255.db2.gz DCRWQIGOXWMBFG-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641461 165378256 /nfs/dbraw/zinc/37/82/56/165378256.db2.gz DCRWQIGOXWMBFG-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641461 165378259 /nfs/dbraw/zinc/37/82/59/165378259.db2.gz DCRWQIGOXWMBFG-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000136380736 432154372 /nfs/dbraw/zinc/15/43/72/432154372.db2.gz LTGIBOOHOXHRPS-LJQANCHMSA-N 2 1 318.509 3.170 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCCCCC[NH3+])c1 ZINC000269259477 432154667 /nfs/dbraw/zinc/15/46/67/432154667.db2.gz VISWRYUAUBFURH-UHFFFAOYSA-N 2 1 319.493 3.052 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000182045600 432157660 /nfs/dbraw/zinc/15/76/60/432157660.db2.gz VPNLOZBZLIMKBB-XDNAFOTISA-N 2 1 308.510 3.148 20 0 DGADMP C[C@H]1CC[C@@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000190505987 432164329 /nfs/dbraw/zinc/16/43/29/432164329.db2.gz OIRCYFIALNVNDI-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP COc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246829080 432170423 /nfs/dbraw/zinc/17/04/23/432170423.db2.gz AISYBMAZGCSSAF-IXDOHACOSA-N 2 1 320.477 3.235 20 0 DGADMP CC1(C)Cc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2O1 ZINC000171762466 432170972 /nfs/dbraw/zinc/17/09/72/432170972.db2.gz ZLCKSELYCQYOKG-UHFFFAOYSA-N 2 1 314.473 3.364 20 0 DGADMP Cc1nc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cs1 ZINC000269456741 432176441 /nfs/dbraw/zinc/17/64/41/432176441.db2.gz WXAALHYBURGMTG-CYBMUJFWSA-N 2 1 319.474 3.243 20 0 DGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCOC1 ZINC000246907174 432179397 /nfs/dbraw/zinc/17/93/97/432179397.db2.gz FMITXSMQPIYGGD-YSDSKTICSA-N 2 1 316.489 3.158 20 0 DGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCOC1 ZINC000246907131 432179901 /nfs/dbraw/zinc/17/99/01/432179901.db2.gz FMITXSMQPIYGGD-SQIBXOBRSA-N 2 1 316.489 3.158 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000182266770 432173483 /nfs/dbraw/zinc/17/34/83/432173483.db2.gz PWBJYBLLQBLSRR-FPOVZHCZSA-N 2 1 322.452 3.030 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246959920 432185202 /nfs/dbraw/zinc/18/52/02/432185202.db2.gz IOJUVWBENTWGJM-MDMSPXHWSA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246959920 432185207 /nfs/dbraw/zinc/18/52/07/432185207.db2.gz IOJUVWBENTWGJM-MDMSPXHWSA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246959920 432185210 /nfs/dbraw/zinc/18/52/10/432185210.db2.gz IOJUVWBENTWGJM-MDMSPXHWSA-N 2 1 309.542 3.061 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182424160 432188939 /nfs/dbraw/zinc/18/89/39/432188939.db2.gz IHRDNPHMTGVDQR-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1Br ZINC000149035979 432189074 /nfs/dbraw/zinc/18/90/74/432189074.db2.gz KXRBITDDOFYXKA-NSHDSACASA-N 2 1 308.223 3.305 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nccn1C ZINC000172013588 432190360 /nfs/dbraw/zinc/19/03/60/432190360.db2.gz LQRVOVXXUMVCTE-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000190794882 432191205 /nfs/dbraw/zinc/19/12/05/432191205.db2.gz JIQZWEPEPZBDHP-UHFFFAOYSA-N 2 1 314.473 3.439 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000269644065 432191600 /nfs/dbraw/zinc/19/16/00/432191600.db2.gz YMCKXSQCEAAJLU-UHFFFAOYSA-N 2 1 306.413 3.433 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000247059729 432198703 /nfs/dbraw/zinc/19/87/03/432198703.db2.gz ZREBRJXCSORZJC-KXBFYZLASA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000247059729 432198707 /nfs/dbraw/zinc/19/87/07/432198707.db2.gz ZREBRJXCSORZJC-KXBFYZLASA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000247059729 432198709 /nfs/dbraw/zinc/19/87/09/432198709.db2.gz ZREBRJXCSORZJC-KXBFYZLASA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000247059729 432198714 /nfs/dbraw/zinc/19/87/14/432198714.db2.gz ZREBRJXCSORZJC-KXBFYZLASA-N 2 1 320.427 3.456 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000247060914 432198885 /nfs/dbraw/zinc/19/88/85/432198885.db2.gz VLRNZUHLVSFXDO-UXHICEINSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247060914 432198887 /nfs/dbraw/zinc/19/88/87/432198887.db2.gz VLRNZUHLVSFXDO-UXHICEINSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247060914 432198891 /nfs/dbraw/zinc/19/88/91/432198891.db2.gz VLRNZUHLVSFXDO-UXHICEINSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000247060914 432198893 /nfs/dbraw/zinc/19/88/93/432198893.db2.gz VLRNZUHLVSFXDO-UXHICEINSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000247060914 432198896 /nfs/dbraw/zinc/19/88/96/432198896.db2.gz VLRNZUHLVSFXDO-UXHICEINSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247060914 432198899 /nfs/dbraw/zinc/19/88/99/432198899.db2.gz VLRNZUHLVSFXDO-UXHICEINSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247060914 432198902 /nfs/dbraw/zinc/19/89/02/432198902.db2.gz VLRNZUHLVSFXDO-UXHICEINSA-N 2 1 315.505 3.243 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000247097244 432202058 /nfs/dbraw/zinc/20/20/58/432202058.db2.gz DZSSRTOKEIIOCF-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000247196147 432210353 /nfs/dbraw/zinc/21/03/53/432210353.db2.gz WBAPKGBFVHZBCT-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000247196147 432210356 /nfs/dbraw/zinc/21/03/56/432210356.db2.gz WBAPKGBFVHZBCT-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000247192956 432211424 /nfs/dbraw/zinc/21/14/24/432211424.db2.gz VWFHTKFZYAEHKT-TXCZRRACSA-N 2 1 318.461 3.227 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000151101101 432220369 /nfs/dbraw/zinc/22/03/69/432220369.db2.gz WROJVKIZOLLBFL-HOTGVXAUSA-N 2 1 320.477 3.395 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000151131557 432221283 /nfs/dbraw/zinc/22/12/83/432221283.db2.gz VYQHDXMBLRSGKY-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000151131557 432221287 /nfs/dbraw/zinc/22/12/87/432221287.db2.gz VYQHDXMBLRSGKY-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000151131416 432221432 /nfs/dbraw/zinc/22/14/32/432221432.db2.gz ODBSXLFJRLKMOB-CRAIPNDOSA-N 2 1 304.503 3.339 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000269923396 432222009 /nfs/dbraw/zinc/22/20/09/432222009.db2.gz BIRUULLEVPFJSN-BXUZGUMPSA-N 2 1 316.367 3.247 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000269923396 432222013 /nfs/dbraw/zinc/22/20/13/432222013.db2.gz BIRUULLEVPFJSN-BXUZGUMPSA-N 2 1 316.367 3.247 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nc(CC)sc32)C1 ZINC000151118051 432222138 /nfs/dbraw/zinc/22/21/38/432222138.db2.gz FWQRPNHRHLYPLX-UONOGXRCSA-N 2 1 307.507 3.404 20 0 DGADMP c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131859738 196204661 /nfs/dbraw/zinc/20/46/61/196204661.db2.gz PGMIAASGAUCMSL-GOSISDBHSA-N 2 1 321.380 3.390 20 0 DGADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000133887052 196343072 /nfs/dbraw/zinc/34/30/72/196343072.db2.gz HAFXDZSZLNWCFP-WBVHZDCISA-N 2 1 320.477 3.099 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000271640948 209085123 /nfs/dbraw/zinc/08/51/23/209085123.db2.gz DULZJDZBQIBQKR-NSHDSACASA-N 2 1 319.359 3.287 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885783 287355641 /nfs/dbraw/zinc/35/56/41/287355641.db2.gz VJDHCYUBBYXENI-FUHIMQAGSA-N 2 1 315.505 3.006 20 0 DGADMP Cc1cnccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295913365 225372056 /nfs/dbraw/zinc/37/20/56/225372056.db2.gz ZQJDUOHGGOYHJN-PXNSSMCTSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291222768 222234598 /nfs/dbraw/zinc/23/45/98/222234598.db2.gz SKBDZUOQTJEOOO-MJGOQNOKSA-N 2 1 316.489 3.098 20 0 DGADMP c1cnn([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC000411747443 229828322 /nfs/dbraw/zinc/82/83/22/229828322.db2.gz QBOUMCHGZUAICQ-FQEVSTJZSA-N 2 1 324.472 3.316 20 0 DGADMP CC[NH+](CC)CCN(CCn1cc[nH+]c1C)Cc1cccs1 ZINC000346309341 264006928 /nfs/dbraw/zinc/00/69/28/264006928.db2.gz LIPBEQBOPWWHAC-UHFFFAOYSA-N 2 1 320.506 3.097 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000346312248 264008434 /nfs/dbraw/zinc/00/84/34/264008434.db2.gz HHIVJNFUIXNORM-ZAWLATJESA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN(C)[C@@H]3C)CC2)C1 ZINC000346312248 264008435 /nfs/dbraw/zinc/00/84/35/264008435.db2.gz HHIVJNFUIXNORM-ZAWLATJESA-N 2 1 307.526 3.102 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346362149 264017618 /nfs/dbraw/zinc/01/76/18/264017618.db2.gz LFMGHFASJUKLFK-QZTJIDSGSA-N 2 1 314.473 3.333 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCCO2)CC1)CC1CC1 ZINC000346507713 264044562 /nfs/dbraw/zinc/04/45/62/264044562.db2.gz UQPKKDVDYPETRW-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H](C[NH+]1CCS[C@@H](C)[C@H]1C)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000346524763 264046801 /nfs/dbraw/zinc/04/68/01/264046801.db2.gz GKISPKNZSUATEO-PWFLSRTFSA-N 2 1 316.580 3.274 20 0 DGADMP C[C@@H](C[NH+]1CCS[C@H](C)[C@@H]1C)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000346524763 264046803 /nfs/dbraw/zinc/04/68/03/264046803.db2.gz GKISPKNZSUATEO-PWFLSRTFSA-N 2 1 316.580 3.274 20 0 DGADMP C[C@@H](C[NH+]1CCS[C@H](C)[C@@H]1C)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000346524763 264046804 /nfs/dbraw/zinc/04/68/04/264046804.db2.gz GKISPKNZSUATEO-PWFLSRTFSA-N 2 1 316.580 3.274 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000346692682 264080722 /nfs/dbraw/zinc/08/07/22/264080722.db2.gz IGXKTAIPKUPUGK-HNNXBMFYSA-N 2 1 318.383 3.433 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346820654 264103488 /nfs/dbraw/zinc/10/34/88/264103488.db2.gz DBVWJBJJIJCZNQ-ZYSHUDEJSA-N 2 1 324.472 3.165 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC(F)F)cc1C ZINC000346821789 264103690 /nfs/dbraw/zinc/10/36/90/264103690.db2.gz DFJOHTMSGQQXJX-CFVMTHIKSA-N 2 1 310.388 3.074 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC(F)F)cc1C ZINC000346821789 264103691 /nfs/dbraw/zinc/10/36/91/264103691.db2.gz DFJOHTMSGQQXJX-CFVMTHIKSA-N 2 1 310.388 3.074 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@@H]12 ZINC000346828995 264104635 /nfs/dbraw/zinc/10/46/35/264104635.db2.gz OCJIPXVKVJPQEF-ZLKJLUDKSA-N 2 1 305.472 3.041 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346845351 264108186 /nfs/dbraw/zinc/10/81/86/264108186.db2.gz NBEKHNFCCVYJIC-ULQDDVLXSA-N 2 1 318.461 3.043 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346851388 264108911 /nfs/dbraw/zinc/10/89/11/264108911.db2.gz JMPQWRUXNHMECJ-YTQUADARSA-N 2 1 302.462 3.281 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cccc1OCC ZINC000347004495 264137600 /nfs/dbraw/zinc/13/76/00/264137600.db2.gz OJKDILARNREALC-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cccc1OCC ZINC000347004495 264137601 /nfs/dbraw/zinc/13/76/01/264137601.db2.gz OJKDILARNREALC-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000347003776 264137719 /nfs/dbraw/zinc/13/77/19/264137719.db2.gz MEKNESSTQTUKDI-WOJBJXKFSA-N 2 1 316.489 3.018 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347009001 264139338 /nfs/dbraw/zinc/13/93/38/264139338.db2.gz FHKZASXVQRVEQD-JWTNVVGKSA-N 2 1 302.462 3.436 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC)c(COCC)c1)C1CC[NH2+]CC1 ZINC000347013266 264140237 /nfs/dbraw/zinc/14/02/37/264140237.db2.gz HSEBXIHEZHMDQM-UHFFFAOYSA-N 2 1 320.477 3.196 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347034089 264143406 /nfs/dbraw/zinc/14/34/06/264143406.db2.gz CGECXGHCGBCWQQ-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347034089 264143409 /nfs/dbraw/zinc/14/34/09/264143409.db2.gz CGECXGHCGBCWQQ-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035949 264144948 /nfs/dbraw/zinc/14/49/48/264144948.db2.gz DRUIBDFXQNAFEC-KGLIPLIRSA-N 2 1 312.404 3.464 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035949 264144951 /nfs/dbraw/zinc/14/49/51/264144951.db2.gz DRUIBDFXQNAFEC-KGLIPLIRSA-N 2 1 312.404 3.464 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000347142625 264164862 /nfs/dbraw/zinc/16/48/62/264164862.db2.gz WVDYUKNJNUDYPL-BBRMVZONSA-N 2 1 301.459 3.288 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000347142625 264164864 /nfs/dbraw/zinc/16/48/64/264164864.db2.gz WVDYUKNJNUDYPL-BBRMVZONSA-N 2 1 301.459 3.288 20 0 DGADMP C[N@@H+](CCCc1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347308012 264194102 /nfs/dbraw/zinc/19/41/02/264194102.db2.gz MUQBRRGAIRFIRX-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCCc1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347308012 264194103 /nfs/dbraw/zinc/19/41/03/264194103.db2.gz MUQBRRGAIRFIRX-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCCc1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347308012 264194106 /nfs/dbraw/zinc/19/41/06/264194106.db2.gz MUQBRRGAIRFIRX-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP Cc1ccncc1CCC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000347944084 264311184 /nfs/dbraw/zinc/31/11/84/264311184.db2.gz PNINSRUWNKNCEM-UHFFFAOYSA-N 2 1 311.473 3.434 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000347996953 264320695 /nfs/dbraw/zinc/32/06/95/264320695.db2.gz CDQKJOOCRXWDKI-PBHICJAKSA-N 2 1 310.445 3.068 20 0 DGADMP C[C@@H](NCc1ccc(F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071336 264334128 /nfs/dbraw/zinc/33/41/28/264334128.db2.gz DPIPYFCZNHPFIA-NVXWUHKLSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348071336 264334129 /nfs/dbraw/zinc/33/41/29/264334129.db2.gz DPIPYFCZNHPFIA-NVXWUHKLSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071336 264334131 /nfs/dbraw/zinc/33/41/31/264334131.db2.gz DPIPYFCZNHPFIA-NVXWUHKLSA-N 2 1 313.420 3.221 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000348100578 264339818 /nfs/dbraw/zinc/33/98/18/264339818.db2.gz GJVUKQCIPMDYJV-IPELMVKDSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000348100578 264339820 /nfs/dbraw/zinc/33/98/20/264339820.db2.gz GJVUKQCIPMDYJV-IPELMVKDSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1CCSCC[NH+]1CCC[N@@H+]1CCSCC[C@@H]1C ZINC000348168338 264355801 /nfs/dbraw/zinc/35/58/01/264355801.db2.gz QQPRMHQFSOHATP-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000348185302 264359547 /nfs/dbraw/zinc/35/95/47/264359547.db2.gz JUBVBERNXPINBJ-SFHVURJKSA-N 2 1 324.472 3.345 20 0 DGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000348203065 264363664 /nfs/dbraw/zinc/36/36/64/264363664.db2.gz NTVKZOXFMIXIML-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000348203065 264363665 /nfs/dbraw/zinc/36/36/65/264363665.db2.gz NTVKZOXFMIXIML-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP c1ccc([C@H]2C[C@@H]2C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000348242110 264372335 /nfs/dbraw/zinc/37/23/35/264372335.db2.gz KDIOUCLDYMMAQG-RTBURBONSA-N 2 1 314.473 3.025 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000348262152 264378067 /nfs/dbraw/zinc/37/80/67/264378067.db2.gz NOHDBMSIFIPFFH-UHFFFAOYSA-N 2 1 321.513 3.193 20 0 DGADMP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000348381258 264399600 /nfs/dbraw/zinc/39/96/00/264399600.db2.gz CLTGCKVPYNTXFG-ZSXDVEMLSA-N 2 1 302.437 3.377 20 0 DGADMP CC[NH+](CC)CCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000351407148 264699353 /nfs/dbraw/zinc/69/93/53/264699353.db2.gz FFTJUXZVIRGORN-RBUKOAKNSA-N 2 1 309.542 3.305 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cnn(-c2ccccc2)c1)CC1CCCC1 ZINC000352509490 265074610 /nfs/dbraw/zinc/07/46/10/265074610.db2.gz KVQKGABKWPESGA-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000352534027 265081400 /nfs/dbraw/zinc/08/14/00/265081400.db2.gz CJHNGZLHRWZREM-HNAYVOBHSA-N 2 1 320.452 3.088 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352686438 265129002 /nfs/dbraw/zinc/12/90/02/265129002.db2.gz ZJHWTAPQGNIHSA-LSTHTHJFSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352686438 265129006 /nfs/dbraw/zinc/12/90/06/265129006.db2.gz ZJHWTAPQGNIHSA-LSTHTHJFSA-N 2 1 315.505 3.142 20 0 DGADMP Cc1cccc([C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352750614 265151190 /nfs/dbraw/zinc/15/11/90/265151190.db2.gz QUJPBPLNAFFHMI-AWEZNQCLSA-N 2 1 303.475 3.406 20 0 DGADMP CCS[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352758716 265154886 /nfs/dbraw/zinc/15/48/86/265154886.db2.gz HXFODQBXGARDDZ-OLZOCXBDSA-N 2 1 313.536 3.359 20 0 DGADMP Cc1ccc(NCc2ncc(C[NH+](C)C)s2)c(C[NH+](C)C)c1 ZINC000352765634 265157862 /nfs/dbraw/zinc/15/78/62/265157862.db2.gz QFYLBTRVLOXPSZ-UHFFFAOYSA-N 2 1 318.490 3.187 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(C)(c3ccccc3)C2)s1 ZINC000352767590 265159333 /nfs/dbraw/zinc/15/93/33/265159333.db2.gz MUXUNYYHHXSYPL-UHFFFAOYSA-N 2 1 315.486 3.415 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2ccc(F)cc2)s1 ZINC000352771470 265159358 /nfs/dbraw/zinc/15/93/58/265159358.db2.gz NMIKGCZWAXIUFM-UHFFFAOYSA-N 2 1 321.465 3.411 20 0 DGADMP Cc1cc(C)cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352792102 265169767 /nfs/dbraw/zinc/16/97/67/265169767.db2.gz RNGYDLWBZAGCCU-UHFFFAOYSA-N 2 1 303.475 3.154 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352819985 265181819 /nfs/dbraw/zinc/18/18/19/265181819.db2.gz BQRCRVNHWLXGRY-KBPBESRZSA-N 2 1 316.367 3.373 20 0 DGADMP CC(C)COCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822248 265182915 /nfs/dbraw/zinc/18/29/15/265182915.db2.gz FCHQCVKZDYSAJX-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP CC(C)COCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822248 265182924 /nfs/dbraw/zinc/18/29/24/265182924.db2.gz FCHQCVKZDYSAJX-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP CC(C)COCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822248 265182927 /nfs/dbraw/zinc/18/29/27/265182927.db2.gz FCHQCVKZDYSAJX-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCn1cc[nH+]c1C ZINC000352857647 265200816 /nfs/dbraw/zinc/20/08/16/265200816.db2.gz YXGFRICKWFOBEC-QBFSEMIESA-N 2 1 321.371 3.486 20 0 DGADMP C[NH+](C)[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000353155724 265321835 /nfs/dbraw/zinc/32/18/35/265321835.db2.gz PMCCNPHEYNUROE-IBGZPJMESA-N 2 1 317.521 3.171 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000353332314 265392102 /nfs/dbraw/zinc/39/21/02/265392102.db2.gz PSXKSYPUEBZGAK-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000353336389 265393987 /nfs/dbraw/zinc/39/39/87/265393987.db2.gz XZSUNRHTMPXNJP-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1coc2ccccc12 ZINC000355219770 266004697 /nfs/dbraw/zinc/00/46/97/266004697.db2.gz ZHZUTGMSSJWQJO-SUMDDJOVSA-N 2 1 314.429 3.116 20 0 DGADMP C(=C\c1ccncc1)\C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286264 266026862 /nfs/dbraw/zinc/02/68/62/266026862.db2.gz HRKRERAEMRLZOK-XWOWGUDISA-N 2 1 319.452 3.159 20 0 DGADMP C(=C\c1ccncc1)\C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286264 266026864 /nfs/dbraw/zinc/02/68/64/266026864.db2.gz HRKRERAEMRLZOK-XWOWGUDISA-N 2 1 319.452 3.159 20 0 DGADMP C(=C\c1ccncc1)\C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286264 266026867 /nfs/dbraw/zinc/02/68/67/266026867.db2.gz HRKRERAEMRLZOK-XWOWGUDISA-N 2 1 319.452 3.159 20 0 DGADMP C(=C\c1ccncc1)\C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286264 266026868 /nfs/dbraw/zinc/02/68/68/266026868.db2.gz HRKRERAEMRLZOK-XWOWGUDISA-N 2 1 319.452 3.159 20 0 DGADMP C(=C/c1ccncc1)\C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286256 266027210 /nfs/dbraw/zinc/02/72/10/266027210.db2.gz HRKRERAEMRLZOK-SJDASUONSA-N 2 1 319.452 3.159 20 0 DGADMP C(=C/c1ccncc1)\C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286256 266027213 /nfs/dbraw/zinc/02/72/13/266027213.db2.gz HRKRERAEMRLZOK-SJDASUONSA-N 2 1 319.452 3.159 20 0 DGADMP C(=C/c1ccncc1)\C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286256 266027215 /nfs/dbraw/zinc/02/72/15/266027215.db2.gz HRKRERAEMRLZOK-SJDASUONSA-N 2 1 319.452 3.159 20 0 DGADMP C(=C/c1ccncc1)\C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000355286256 266027218 /nfs/dbraw/zinc/02/72/18/266027218.db2.gz HRKRERAEMRLZOK-SJDASUONSA-N 2 1 319.452 3.159 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000355582949 266122588 /nfs/dbraw/zinc/12/25/88/266122588.db2.gz MJZKYYVPXTWJBB-VQIMIIECSA-N 2 1 320.452 3.162 20 0 DGADMP COC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752968 266172708 /nfs/dbraw/zinc/17/27/08/266172708.db2.gz XWYZKBIWJJXUJZ-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752968 266172711 /nfs/dbraw/zinc/17/27/11/266172711.db2.gz XWYZKBIWJJXUJZ-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355752968 266172714 /nfs/dbraw/zinc/17/27/14/266172714.db2.gz XWYZKBIWJJXUJZ-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355752968 266172719 /nfs/dbraw/zinc/17/27/19/266172719.db2.gz XWYZKBIWJJXUJZ-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000355890066 266220703 /nfs/dbraw/zinc/22/07/03/266220703.db2.gz MQWUVHNWOPHAHF-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000355890066 266220706 /nfs/dbraw/zinc/22/07/06/266220706.db2.gz MQWUVHNWOPHAHF-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccccn2)CC1)CC1CC1 ZINC000355896431 266221750 /nfs/dbraw/zinc/22/17/50/266221750.db2.gz YLMSECZKXLPHFG-UHFFFAOYSA-N 2 1 301.478 3.416 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccn2C)CC1)CC1CC1 ZINC000355901479 266224675 /nfs/dbraw/zinc/22/46/75/266224675.db2.gz NJHLDXGFHGKRPA-UHFFFAOYSA-N 2 1 303.494 3.359 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1O ZINC000356236062 266327173 /nfs/dbraw/zinc/32/71/73/266327173.db2.gz HMCYRXIHUMTMCK-CABCVRRESA-N 2 1 308.466 3.040 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1O ZINC000356236062 266327175 /nfs/dbraw/zinc/32/71/75/266327175.db2.gz HMCYRXIHUMTMCK-CABCVRRESA-N 2 1 308.466 3.040 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccc(CO)cn1 ZINC000356299366 266345728 /nfs/dbraw/zinc/34/57/28/266345728.db2.gz HUNQSLBSLJGWTB-UHFFFAOYSA-N 2 1 313.445 3.144 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000356531879 266418207 /nfs/dbraw/zinc/41/82/07/266418207.db2.gz SEAWSLWZDRUURG-UXHICEINSA-N 2 1 316.489 3.305 20 0 DGADMP CCCOc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000359908190 271016136 /nfs/dbraw/zinc/01/61/36/271016136.db2.gz XNXLJLFBPSZDNA-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479340 271026999 /nfs/dbraw/zinc/02/69/99/271026999.db2.gz KZZMYKABIVXCCK-SWLSCSKDSA-N 2 1 324.490 3.148 20 0 DGADMP c1c[nH]c([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614100 271050917 /nfs/dbraw/zinc/05/09/17/271050917.db2.gz GZPQXYRSPNFKIF-YOEHRIQHSA-N 2 1 302.466 3.105 20 0 DGADMP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000367711263 271068270 /nfs/dbraw/zinc/06/82/70/271068270.db2.gz BBWFQRNNOUDSNV-KBXCAEBGSA-N 2 1 322.493 3.174 20 0 DGADMP C[C@H]([NH2+]C1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367926872 271098657 /nfs/dbraw/zinc/09/86/57/271098657.db2.gz AKBQUQGQUOGAAA-DOTOQJQBSA-N 2 1 304.503 3.382 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000369199059 271250876 /nfs/dbraw/zinc/25/08/76/271250876.db2.gz RWNFUPJQHHHHJH-SFHVURJKSA-N 2 1 321.534 3.301 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000369541138 271290275 /nfs/dbraw/zinc/29/02/75/271290275.db2.gz SBHVGMOFRIUDBE-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000369541138 271290281 /nfs/dbraw/zinc/29/02/81/271290281.db2.gz SBHVGMOFRIUDBE-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541138 271290285 /nfs/dbraw/zinc/29/02/85/271290285.db2.gz SBHVGMOFRIUDBE-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000369541138 271290288 /nfs/dbraw/zinc/29/02/88/271290288.db2.gz SBHVGMOFRIUDBE-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)oc1C ZINC000370581850 271370634 /nfs/dbraw/zinc/37/06/34/271370634.db2.gz BIXZCZYFRQVCMU-RCCFBDPRSA-N 2 1 317.477 3.282 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711275 271385513 /nfs/dbraw/zinc/38/55/13/271385513.db2.gz PDIYENFAWOQRFX-MJGOQNOKSA-N 2 1 321.553 3.161 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000247881032 432252011 /nfs/dbraw/zinc/25/20/11/432252011.db2.gz BQVRWNJNIGSCIN-YSIASYRMSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247966462 432256498 /nfs/dbraw/zinc/25/64/98/432256498.db2.gz GWLVUDMMQZSEOM-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247966462 432256501 /nfs/dbraw/zinc/25/65/01/432256501.db2.gz GWLVUDMMQZSEOM-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247966462 432256505 /nfs/dbraw/zinc/25/65/05/432256505.db2.gz GWLVUDMMQZSEOM-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP CC[C@@H](C[NH2+][C@H]1CCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC000192438963 273718571 /nfs/dbraw/zinc/71/85/71/273718571.db2.gz MEGIDBQPEDJLCI-IRXDYDNUSA-N 2 1 302.462 3.017 20 0 DGADMP COC1([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CCCC1 ZINC000421828546 274015211 /nfs/dbraw/zinc/01/52/11/274015211.db2.gz DFHKCGXREXNGEA-MRXNPFEDSA-N 2 1 317.477 3.296 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000332219881 274340518 /nfs/dbraw/zinc/34/05/18/274340518.db2.gz LZOGJZGNNCRGCC-OMNBBPDLSA-N 2 1 317.477 3.189 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nccc2ccccc21 ZINC000290712405 274514325 /nfs/dbraw/zinc/51/43/25/274514325.db2.gz OAFGTXYBUPRYHO-GJZGRUSLSA-N 2 1 306.413 3.345 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000191378668 432258992 /nfs/dbraw/zinc/25/89/92/432258992.db2.gz MXMJXWPXDRQJDD-QGZVFWFLSA-N 2 1 321.484 3.235 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000248005320 275048543 /nfs/dbraw/zinc/04/85/43/275048543.db2.gz KSXBQANKALVIMM-WMZOPIPTSA-N 2 1 322.880 3.154 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000249062162 275053158 /nfs/dbraw/zinc/05/31/58/275053158.db2.gz PVTLEMFABWNPDF-RCCFBDPRSA-N 2 1 318.461 3.015 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000249062156 275053263 /nfs/dbraw/zinc/05/32/63/275053263.db2.gz PVTLEMFABWNPDF-KZNAEPCWSA-N 2 1 318.461 3.015 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414935181 275769965 /nfs/dbraw/zinc/76/99/65/275769965.db2.gz ATYWTFCJEUULDB-CRAIPNDOSA-N 2 1 312.461 3.083 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(C)C)C1 ZINC000464789726 276073275 /nfs/dbraw/zinc/07/32/75/276073275.db2.gz OFTXXSIQUUIGKF-KRWDZBQOSA-N 2 1 304.478 3.495 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(C)C)C1 ZINC000464789726 276073277 /nfs/dbraw/zinc/07/32/77/276073277.db2.gz OFTXXSIQUUIGKF-KRWDZBQOSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464789726 276073278 /nfs/dbraw/zinc/07/32/78/276073278.db2.gz OFTXXSIQUUIGKF-KRWDZBQOSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464789726 276073281 /nfs/dbraw/zinc/07/32/81/276073281.db2.gz OFTXXSIQUUIGKF-KRWDZBQOSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000361336433 276100584 /nfs/dbraw/zinc/10/05/84/276100584.db2.gz NURFAIPYTIDCRQ-HKUYNNGSSA-N 2 1 320.452 3.246 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000246430955 276227930 /nfs/dbraw/zinc/22/79/30/276227930.db2.gz NXTFZOMEQNYNMT-FVELJTHGSA-N 3 1 321.553 3.349 20 0 DGADMP CCN1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000246430955 276227932 /nfs/dbraw/zinc/22/79/32/276227932.db2.gz NXTFZOMEQNYNMT-FVELJTHGSA-N 2 1 321.553 3.349 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCCCC2 ZINC000123514746 276345242 /nfs/dbraw/zinc/34/52/42/276345242.db2.gz VDPSSYGXXBVDKB-CGTJXYLNSA-N 2 1 306.494 3.188 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCCCC2 ZINC000247100621 276345472 /nfs/dbraw/zinc/34/54/72/276345472.db2.gz VDPSSYGXXBVDKB-KBAYOESNSA-N 2 1 306.494 3.188 20 0 DGADMP CCCCNc1cc(C)[nH+]c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000631096984 429974136 /nfs/dbraw/zinc/97/41/36/429974136.db2.gz NPGXLQRZRULRNB-CQSZACIVSA-N 2 1 314.437 3.104 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423197712 277022961 /nfs/dbraw/zinc/02/29/61/277022961.db2.gz ATLCFBJZKHPAQT-CYBMUJFWSA-N 2 1 306.397 3.309 20 0 DGADMP CCc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019062 430201157 /nfs/dbraw/zinc/20/11/57/430201157.db2.gz FFDBYDDLUFSIRI-DZGCQCFKSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019062 430201160 /nfs/dbraw/zinc/20/11/60/430201160.db2.gz FFDBYDDLUFSIRI-DZGCQCFKSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019062 430201162 /nfs/dbraw/zinc/20/11/62/430201162.db2.gz FFDBYDDLUFSIRI-DZGCQCFKSA-N 2 1 302.466 3.412 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000338544467 277279499 /nfs/dbraw/zinc/27/94/99/277279499.db2.gz BENIFYKUFYEQAG-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414839668 277282522 /nfs/dbraw/zinc/28/25/22/277282522.db2.gz MFXLADDERSWUJC-HNNXBMFYSA-N 2 1 314.477 3.115 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000482719202 277365573 /nfs/dbraw/zinc/36/55/73/277365573.db2.gz ZOZJJDQYUFGZCF-QYZOEREBSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000482719202 277365576 /nfs/dbraw/zinc/36/55/76/277365576.db2.gz ZOZJJDQYUFGZCF-QYZOEREBSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000482719202 277365577 /nfs/dbraw/zinc/36/55/77/277365577.db2.gz ZOZJJDQYUFGZCF-QYZOEREBSA-N 2 1 310.526 3.370 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000542766942 430223796 /nfs/dbraw/zinc/22/37/96/430223796.db2.gz UBFUHPSZBCYMNV-INIZCTEOSA-N 2 1 319.497 3.389 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414200265 277379969 /nfs/dbraw/zinc/37/99/69/277379969.db2.gz XRLLXUXKQMOYEV-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000290699211 278008530 /nfs/dbraw/zinc/00/85/30/278008530.db2.gz NFPCAQRATOKSQS-RLFYNMQTSA-N 2 1 302.462 3.045 20 0 DGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128235835 278049043 /nfs/dbraw/zinc/04/90/43/278049043.db2.gz ZUOXLBDHYRYYQF-SFHVURJKSA-N 2 1 317.521 3.488 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248729309 278341998 /nfs/dbraw/zinc/34/19/98/278341998.db2.gz KKHOMWHONLNPBT-XWTMOSNGSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H]([NH2+]CCc1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274894732 278349006 /nfs/dbraw/zinc/34/90/06/278349006.db2.gz KABIWPCVJFUHOY-WBVHZDCISA-N 2 1 315.486 3.186 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000422930632 279082837 /nfs/dbraw/zinc/08/28/37/279082837.db2.gz VHSPPFVIWJEBBH-BZNIZROVSA-N 2 1 317.820 3.286 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340379499 279161376 /nfs/dbraw/zinc/16/13/76/279161376.db2.gz VNYHCPLUDLRQKW-NEWSRXKRSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000422825025 279266837 /nfs/dbraw/zinc/26/68/37/279266837.db2.gz OXMHYANHUFQEKU-LRYGQEGESA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000422825025 279266839 /nfs/dbraw/zinc/26/68/39/279266839.db2.gz OXMHYANHUFQEKU-LRYGQEGESA-N 2 1 303.494 3.004 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnc2ccsc2c1 ZINC000068691298 431139168 /nfs/dbraw/zinc/13/91/68/431139168.db2.gz OOOASTGUAFCCEC-CHWSQXEVSA-N 2 1 301.459 3.431 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000069724252 431216427 /nfs/dbraw/zinc/21/64/27/431216427.db2.gz UPGKHSUHNIYFAV-SNVBAGLBSA-N 2 1 303.269 3.071 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173799 431242639 /nfs/dbraw/zinc/24/26/39/431242639.db2.gz BPILZEJAGCFWSX-NWDGAFQWSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070173799 431242647 /nfs/dbraw/zinc/24/26/47/431242647.db2.gz BPILZEJAGCFWSX-NWDGAFQWSA-N 2 1 317.260 3.431 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070171092 431242831 /nfs/dbraw/zinc/24/28/31/431242831.db2.gz AIELFZXZDTUHFZ-GFCCVEGCSA-N 2 1 307.488 3.432 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000070188120 431246463 /nfs/dbraw/zinc/24/64/63/431246463.db2.gz MYFDVNKRGTXNSU-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000113515712 431352554 /nfs/dbraw/zinc/35/25/54/431352554.db2.gz OMXSNAXHKXAEDJ-AWEZNQCLSA-N 2 1 316.367 3.011 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000113515712 431352558 /nfs/dbraw/zinc/35/25/58/431352558.db2.gz OMXSNAXHKXAEDJ-AWEZNQCLSA-N 2 1 316.367 3.011 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2cc(C)[nH]c2C)CC1 ZINC000114475851 431390907 /nfs/dbraw/zinc/39/09/07/431390907.db2.gz FLAAPMKBGMVDOG-UHFFFAOYSA-N 2 1 319.493 3.258 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2cc(C)[nH]c2C)CC1 ZINC000114475851 431390918 /nfs/dbraw/zinc/39/09/18/431390918.db2.gz FLAAPMKBGMVDOG-UHFFFAOYSA-N 2 1 319.493 3.258 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860062 431504417 /nfs/dbraw/zinc/50/44/17/431504417.db2.gz FUJZEBFBIOTPPR-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860062 431504425 /nfs/dbraw/zinc/50/44/25/431504425.db2.gz FUJZEBFBIOTPPR-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860062 431504433 /nfs/dbraw/zinc/50/44/33/431504433.db2.gz FUJZEBFBIOTPPR-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860062 431504438 /nfs/dbraw/zinc/50/44/38/431504438.db2.gz FUJZEBFBIOTPPR-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000076001358 431515553 /nfs/dbraw/zinc/51/55/53/431515553.db2.gz MOGVCLRXLJEENH-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000076001358 431515564 /nfs/dbraw/zinc/51/55/64/431515564.db2.gz MOGVCLRXLJEENH-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000154458043 280186205 /nfs/dbraw/zinc/18/62/05/280186205.db2.gz QAYUXRXIDFVQEH-HXUWFJFHSA-N 2 1 317.521 3.453 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3ccccn3)C2)CC1 ZINC000077482708 431600393 /nfs/dbraw/zinc/60/03/93/431600393.db2.gz MRFWKBZUBFOGQO-GOSISDBHSA-N 2 1 301.478 3.068 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccccn3)C2)CC1 ZINC000077482708 431600400 /nfs/dbraw/zinc/60/04/00/431600400.db2.gz MRFWKBZUBFOGQO-GOSISDBHSA-N 2 1 301.478 3.068 20 0 DGADMP Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000119489581 431698171 /nfs/dbraw/zinc/69/81/71/431698171.db2.gz RPCXYMMLEHWLAK-INIZCTEOSA-N 2 1 324.428 3.128 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121240069 431758258 /nfs/dbraw/zinc/75/82/58/431758258.db2.gz WTWWYNLDOQXVPW-FJIDUMEYSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000081630890 431796890 /nfs/dbraw/zinc/79/68/90/431796890.db2.gz ZZNZENSCLSJACQ-QGZVFWFLSA-N 2 1 320.452 3.258 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000081630890 431796896 /nfs/dbraw/zinc/79/68/96/431796896.db2.gz ZZNZENSCLSJACQ-QGZVFWFLSA-N 2 1 320.452 3.258 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000081630890 431796900 /nfs/dbraw/zinc/79/69/00/431796900.db2.gz ZZNZENSCLSJACQ-QGZVFWFLSA-N 2 1 320.452 3.258 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633023 431798558 /nfs/dbraw/zinc/79/85/58/431798558.db2.gz IPNMAIBXDKUZGU-LJQANCHMSA-N 2 1 316.489 3.428 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633023 431798568 /nfs/dbraw/zinc/79/85/68/431798568.db2.gz IPNMAIBXDKUZGU-LJQANCHMSA-N 2 1 316.489 3.428 20 0 DGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633023 431798580 /nfs/dbraw/zinc/79/85/80/431798580.db2.gz IPNMAIBXDKUZGU-LJQANCHMSA-N 2 1 316.489 3.428 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081635223 431798852 /nfs/dbraw/zinc/79/88/52/431798852.db2.gz PCTYHPSYSRYENA-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081635223 431798855 /nfs/dbraw/zinc/79/88/55/431798855.db2.gz PCTYHPSYSRYENA-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081635223 431798859 /nfs/dbraw/zinc/79/88/59/431798859.db2.gz PCTYHPSYSRYENA-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP CCC[N@H+](Cc1csc(Br)c1)C1CC[NH2+]CC1 ZINC000037538914 431847461 /nfs/dbraw/zinc/84/74/61/431847461.db2.gz ODFGRDHZBJYONQ-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP CCC[N@@H+](Cc1csc(Br)c1)C1CC[NH2+]CC1 ZINC000037538914 431847463 /nfs/dbraw/zinc/84/74/63/431847463.db2.gz ODFGRDHZBJYONQ-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000122973280 431850808 /nfs/dbraw/zinc/85/08/08/431850808.db2.gz LVUXUDZSBGENBZ-HNNXBMFYSA-N 2 1 318.461 3.373 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000122991998 431851914 /nfs/dbraw/zinc/85/19/14/431851914.db2.gz RUBXBJINGHSVRV-UHFFFAOYSA-N 2 1 302.418 3.405 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123028752 431852609 /nfs/dbraw/zinc/85/26/09/431852609.db2.gz IWAQKUOQZLENTO-UWVAXJGDSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123028752 431852610 /nfs/dbraw/zinc/85/26/10/431852610.db2.gz IWAQKUOQZLENTO-UWVAXJGDSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123028752 431852612 /nfs/dbraw/zinc/85/26/12/431852612.db2.gz IWAQKUOQZLENTO-UWVAXJGDSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123028752 431852613 /nfs/dbraw/zinc/85/26/13/431852613.db2.gz IWAQKUOQZLENTO-UWVAXJGDSA-N 2 1 315.505 3.101 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018665 431852640 /nfs/dbraw/zinc/85/26/40/431852640.db2.gz LFVJJQUZXXIEOH-YLJYHZDGSA-N 3 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018665 431852642 /nfs/dbraw/zinc/85/26/42/431852642.db2.gz LFVJJQUZXXIEOH-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018665 431852644 /nfs/dbraw/zinc/85/26/44/431852644.db2.gz LFVJJQUZXXIEOH-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000123018665 431852646 /nfs/dbraw/zinc/85/26/46/431852646.db2.gz LFVJJQUZXXIEOH-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018395 431852916 /nfs/dbraw/zinc/85/29/16/431852916.db2.gz ZMOWFUVLYQEDRW-JFGNBEQYSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018395 431852917 /nfs/dbraw/zinc/85/29/17/431852917.db2.gz ZMOWFUVLYQEDRW-JFGNBEQYSA-N 2 1 317.296 3.329 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[NH+](CC2CCCCC2)CC1 ZINC000124976321 431910291 /nfs/dbraw/zinc/91/02/91/431910291.db2.gz AYQMTQNCPLTSEG-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000124976321 431910292 /nfs/dbraw/zinc/91/02/92/431910292.db2.gz AYQMTQNCPLTSEG-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000124976321 431910294 /nfs/dbraw/zinc/91/02/94/431910294.db2.gz AYQMTQNCPLTSEG-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOCc1ccccc1 ZINC000125245814 431918258 /nfs/dbraw/zinc/91/82/58/431918258.db2.gz CJNRKFGEOPIQKO-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOCc1ccccc1 ZINC000125245814 431918261 /nfs/dbraw/zinc/91/82/61/431918261.db2.gz CJNRKFGEOPIQKO-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000125231171 431918613 /nfs/dbraw/zinc/91/86/13/431918613.db2.gz SGYGGAYAPLBVDN-UHFFFAOYSA-N 2 1 302.462 3.316 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000125231171 431918616 /nfs/dbraw/zinc/91/86/16/431918616.db2.gz SGYGGAYAPLBVDN-UHFFFAOYSA-N 2 1 302.462 3.316 20 0 DGADMP COC(=O)c1oc([C@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000125273932 431919353 /nfs/dbraw/zinc/91/93/53/431919353.db2.gz SMAOTVPDWPRKCC-GJZGRUSLSA-N 2 1 322.449 3.242 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000044529572 431874865 /nfs/dbraw/zinc/87/48/65/431874865.db2.gz QZKDCSMZCRSOPA-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000044529572 431874868 /nfs/dbraw/zinc/87/48/68/431874868.db2.gz QZKDCSMZCRSOPA-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000125449720 431925317 /nfs/dbraw/zinc/92/53/17/431925317.db2.gz NSOKSTVRTUTNLP-NVXWUHKLSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCN1C ZINC000125449720 431925319 /nfs/dbraw/zinc/92/53/19/431925319.db2.gz NSOKSTVRTUTNLP-NVXWUHKLSA-N 2 1 321.534 3.032 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1cnn(C)c1 ZINC000123894481 431877588 /nfs/dbraw/zinc/87/75/88/431877588.db2.gz IXBYTCLQGXAGQJ-GOSISDBHSA-N 2 1 300.450 3.113 20 0 DGADMP COCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000124210412 431886198 /nfs/dbraw/zinc/88/61/98/431886198.db2.gz HLIIEJHSNYJQAH-SJORKVTESA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000124347243 431890378 /nfs/dbraw/zinc/89/03/78/431890378.db2.gz ZQAPGRGGUQPHAN-OLZOCXBDSA-N 2 1 310.388 3.423 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124346564 431890923 /nfs/dbraw/zinc/89/09/23/431890923.db2.gz OLHNVZDMGDMZEV-DOTOQJQBSA-N 2 1 302.462 3.090 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000090720695 431895177 /nfs/dbraw/zinc/89/51/77/431895177.db2.gz IYHQQMULJDPEBE-DGCLKSJQSA-N 2 1 302.340 3.158 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000090806270 431895782 /nfs/dbraw/zinc/89/57/82/431895782.db2.gz BCAOVMPSULIEBY-CKEIUWERSA-N 2 1 310.869 3.175 20 0 DGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000124504886 431896733 /nfs/dbraw/zinc/89/67/33/431896733.db2.gz GHHOARVUJVKPJK-HNNXBMFYSA-N 2 1 323.912 3.264 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733399 431902342 /nfs/dbraw/zinc/90/23/42/431902342.db2.gz QJLZSYJLYYMBHS-INIZCTEOSA-N 2 1 319.474 3.324 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733399 431902345 /nfs/dbraw/zinc/90/23/45/431902345.db2.gz QJLZSYJLYYMBHS-INIZCTEOSA-N 2 1 319.474 3.324 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000127480105 431973241 /nfs/dbraw/zinc/97/32/41/431973241.db2.gz ZGJFOVNPKBNYSG-PWSUYJOCSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000127480105 431973243 /nfs/dbraw/zinc/97/32/43/431973243.db2.gz ZGJFOVNPKBNYSG-PWSUYJOCSA-N 2 1 315.230 3.161 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)[C@H](C)C1 ZINC000125605514 431931258 /nfs/dbraw/zinc/93/12/58/431931258.db2.gz HQWHIKASWQULCW-SUMDDJOVSA-N 2 1 319.468 3.114 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000049553401 431942033 /nfs/dbraw/zinc/94/20/33/431942033.db2.gz MXYRRBFSRGNTGY-JTQLQIEISA-N 2 1 303.219 3.018 20 0 DGADMP CCC[N@@H+](Cc1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000049864641 431944333 /nfs/dbraw/zinc/94/43/33/431944333.db2.gz MBDKFVCTLPHNEJ-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000126491471 431951512 /nfs/dbraw/zinc/95/15/12/431951512.db2.gz PAPFRJICRVNDHE-QGZVFWFLSA-N 2 1 314.473 3.497 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126867783 431959330 /nfs/dbraw/zinc/95/93/30/431959330.db2.gz LQPIDJOXBUVMNX-WBVHZDCISA-N 2 1 310.507 3.221 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126867783 431959332 /nfs/dbraw/zinc/95/93/32/431959332.db2.gz LQPIDJOXBUVMNX-WBVHZDCISA-N 2 1 310.507 3.221 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126867436 431959511 /nfs/dbraw/zinc/95/95/11/431959511.db2.gz LQPIDJOXBUVMNX-RDJZCZTQSA-N 2 1 310.507 3.221 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126867436 431959513 /nfs/dbraw/zinc/95/95/13/431959513.db2.gz LQPIDJOXBUVMNX-RDJZCZTQSA-N 2 1 310.507 3.221 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC3 ZINC000493232864 281035416 /nfs/dbraw/zinc/03/54/16/281035416.db2.gz SSUBKKUAALPRLH-BZUAXINKSA-N 2 1 311.473 3.406 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC3 ZINC000493232864 281035418 /nfs/dbraw/zinc/03/54/18/281035418.db2.gz SSUBKKUAALPRLH-BZUAXINKSA-N 2 1 311.473 3.406 20 0 DGADMP Cc1ccc2cc([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426023814 281142737 /nfs/dbraw/zinc/14/27/37/281142737.db2.gz UXBCNLASCJKBEX-HZPDHXFCSA-N 2 1 315.461 3.028 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000191476428 432269725 /nfs/dbraw/zinc/26/97/25/432269725.db2.gz VRDSRWGKHYZMRO-UHFFFAOYSA-N 2 1 312.417 3.499 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000191476428 432269732 /nfs/dbraw/zinc/26/97/32/432269732.db2.gz VRDSRWGKHYZMRO-UHFFFAOYSA-N 2 1 312.417 3.499 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000191494406 432271397 /nfs/dbraw/zinc/27/13/97/432271397.db2.gz JDFYOFYXTRIOOR-CXAGYDPISA-N 2 1 318.486 3.306 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc(Cl)c1 ZINC000191489075 432271420 /nfs/dbraw/zinc/27/14/20/432271420.db2.gz DZUDHVXWEFPNEB-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000191489075 432271433 /nfs/dbraw/zinc/27/14/33/432271433.db2.gz DZUDHVXWEFPNEB-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000248175994 432274100 /nfs/dbraw/zinc/27/41/00/432274100.db2.gz VOHSATNYOCYSKA-KURKYZTESA-N 2 1 309.542 3.207 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000248175994 432274104 /nfs/dbraw/zinc/27/41/04/432274104.db2.gz VOHSATNYOCYSKA-KURKYZTESA-N 2 1 309.542 3.207 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000248175994 432274109 /nfs/dbraw/zinc/27/41/09/432274109.db2.gz VOHSATNYOCYSKA-KURKYZTESA-N 2 1 309.542 3.207 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C)c(C)s1 ZINC000191522229 432274517 /nfs/dbraw/zinc/27/45/17/432274517.db2.gz CAOVWXGRDWOJBD-UHFFFAOYSA-N 2 1 306.479 3.431 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C)c(C)s1 ZINC000191522229 432274521 /nfs/dbraw/zinc/27/45/21/432274521.db2.gz CAOVWXGRDWOJBD-UHFFFAOYSA-N 2 1 306.479 3.431 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000191529746 432274983 /nfs/dbraw/zinc/27/49/83/432274983.db2.gz PVWAQNKLQVPIDH-ICSRJNTNSA-N 2 1 315.505 3.096 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000248199628 432275659 /nfs/dbraw/zinc/27/56/59/432275659.db2.gz YFMPYWCFIRVPQG-NJAFHUGGSA-N 2 1 319.468 3.175 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000248199628 432275663 /nfs/dbraw/zinc/27/56/63/432275663.db2.gz YFMPYWCFIRVPQG-NJAFHUGGSA-N 2 1 319.468 3.175 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000183270482 432276545 /nfs/dbraw/zinc/27/65/45/432276545.db2.gz IIHGMVBTFZUBPF-SFHVURJKSA-N 2 1 312.461 3.113 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000183270482 432276551 /nfs/dbraw/zinc/27/65/51/432276551.db2.gz IIHGMVBTFZUBPF-SFHVURJKSA-N 2 1 312.461 3.113 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000270703569 432278715 /nfs/dbraw/zinc/27/87/15/432278715.db2.gz YFARALKNKLCOQC-HNNXBMFYSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000270703569 432278720 /nfs/dbraw/zinc/27/87/20/432278720.db2.gz YFARALKNKLCOQC-HNNXBMFYSA-N 2 1 319.836 3.388 20 0 DGADMP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248408733 432287354 /nfs/dbraw/zinc/28/73/54/432287354.db2.gz VVFAQFFXODMADL-NMLBUPMWSA-N 2 1 316.489 3.038 20 0 DGADMP CSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248420643 432288512 /nfs/dbraw/zinc/28/85/12/432288512.db2.gz XHOYDKHOCILWIR-XOYOTBSWSA-N 2 1 304.503 3.238 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000191778462 432300397 /nfs/dbraw/zinc/30/03/97/432300397.db2.gz WIVVAVVGWUBYPB-UHFFFAOYSA-N 2 1 318.505 3.442 20 0 DGADMP COCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183129569 432261061 /nfs/dbraw/zinc/26/10/61/432261061.db2.gz YUYSEYXBLSPWLR-SLFFLAALSA-N 2 1 316.489 3.303 20 0 DGADMP CCOCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183124775 432262583 /nfs/dbraw/zinc/26/25/83/432262583.db2.gz JQPGCCYTBMRPMV-SLFFLAALSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000191447376 432265239 /nfs/dbraw/zinc/26/52/39/432265239.db2.gz RXBIHKXWZWIEMS-QUCCMNQESA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000191447376 432265244 /nfs/dbraw/zinc/26/52/44/432265244.db2.gz RXBIHKXWZWIEMS-QUCCMNQESA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000191447376 432265247 /nfs/dbraw/zinc/26/52/47/432265247.db2.gz RXBIHKXWZWIEMS-QUCCMNQESA-N 2 1 314.473 3.392 20 0 DGADMP COCCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271039949 432320261 /nfs/dbraw/zinc/32/02/61/432320261.db2.gz MHRNUPYUWIORFF-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP COCCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271039949 432320265 /nfs/dbraw/zinc/32/02/65/432320265.db2.gz MHRNUPYUWIORFF-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152407509 432330610 /nfs/dbraw/zinc/33/06/10/432330610.db2.gz CNOOOTKELLRVSI-STQMWFEESA-N 2 1 308.853 3.484 20 0 DGADMP COC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000248995602 432333389 /nfs/dbraw/zinc/33/33/89/432333389.db2.gz OXFSUVZQBZCALQ-LDLYASANSA-N 2 1 314.473 3.341 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000183958170 432338493 /nfs/dbraw/zinc/33/84/93/432338493.db2.gz FOPWHLSUJCMUNO-JKSUJKDBSA-N 2 1 302.462 3.189 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000249111573 432339663 /nfs/dbraw/zinc/33/96/63/432339663.db2.gz VXQQBYOBPWZSBY-JKSUJKDBSA-N 2 1 310.507 3.368 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000249111573 432339668 /nfs/dbraw/zinc/33/96/68/432339668.db2.gz VXQQBYOBPWZSBY-JKSUJKDBSA-N 2 1 310.507 3.368 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152615601 432343088 /nfs/dbraw/zinc/34/30/88/432343088.db2.gz DQQLALLLXGSZEE-GDBMZVCRSA-N 2 1 310.869 3.490 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152615705 432343937 /nfs/dbraw/zinc/34/39/37/432343937.db2.gz DQQLALLLXGSZEE-ZBFHGGJFSA-N 2 1 310.869 3.490 20 0 DGADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174460370 432348266 /nfs/dbraw/zinc/34/82/66/432348266.db2.gz ZKMJKMNSVLCSAX-YOEHRIQHSA-N 2 1 303.475 3.259 20 0 DGADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000174460370 432348269 /nfs/dbraw/zinc/34/82/69/432348269.db2.gz ZKMJKMNSVLCSAX-YOEHRIQHSA-N 2 1 303.475 3.259 20 0 DGADMP C[N@@H+](CC[C@H]1CCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249436474 432348506 /nfs/dbraw/zinc/34/85/06/432348506.db2.gz SIYCCLDCQSSINY-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CC[C@H]1CCCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249436474 432348513 /nfs/dbraw/zinc/34/85/13/432348513.db2.gz SIYCCLDCQSSINY-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCN(C)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000249432337 432349334 /nfs/dbraw/zinc/34/93/34/432349334.db2.gz IUNDQFLOVCSTRS-QGZVFWFLSA-N 2 1 318.509 3.139 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000270965992 432308552 /nfs/dbraw/zinc/30/85/52/432308552.db2.gz BTTPOKVRXPBQTM-QAPCUYQASA-N 2 1 312.461 3.195 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152211343 432312647 /nfs/dbraw/zinc/31/26/47/432312647.db2.gz JZRQMIJHZVTDOI-VWYCJHECSA-N 2 1 321.412 3.023 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)c(Br)c1 ZINC000271359699 432380659 /nfs/dbraw/zinc/38/06/59/432380659.db2.gz ZTPJZQHJEAVJBO-UHFFFAOYSA-N 2 1 322.250 3.442 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192614701 432393527 /nfs/dbraw/zinc/39/35/27/432393527.db2.gz SLESOKPBEPVPKX-JLYLLQBASA-N 2 1 324.472 3.204 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192614701 432393529 /nfs/dbraw/zinc/39/35/29/432393529.db2.gz SLESOKPBEPVPKX-JLYLLQBASA-N 2 1 324.472 3.204 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192614701 432393531 /nfs/dbraw/zinc/39/35/31/432393531.db2.gz SLESOKPBEPVPKX-JLYLLQBASA-N 2 1 324.472 3.204 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539573 432429738 /nfs/dbraw/zinc/42/97/38/432429738.db2.gz CUQXEDWPZLPZIV-MISYRCLQSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000261539573 432429744 /nfs/dbraw/zinc/42/97/44/432429744.db2.gz CUQXEDWPZLPZIV-MISYRCLQSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000261550167 432430346 /nfs/dbraw/zinc/43/03/46/432430346.db2.gz PJIUCFUHHILFNN-UZLBHIALSA-N 2 1 310.441 3.435 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261547055 432431301 /nfs/dbraw/zinc/43/13/01/432431301.db2.gz LRTWGEBDRIKMGC-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261547055 432431305 /nfs/dbraw/zinc/43/13/05/432431305.db2.gz LRTWGEBDRIKMGC-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261556029 432431717 /nfs/dbraw/zinc/43/17/17/432431717.db2.gz VOBOBEIZKQPGOB-IBGZPJMESA-N 2 1 310.441 3.436 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C(C)C ZINC000153723711 432436059 /nfs/dbraw/zinc/43/60/59/432436059.db2.gz ZLFHOCBWQNHIRQ-MRXNPFEDSA-N 2 1 305.397 3.080 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccco2)s1)C[NH+]1CCCC1 ZINC000193012671 432439070 /nfs/dbraw/zinc/43/90/70/432439070.db2.gz TUEFMVVYRBBNDV-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]12 ZINC000261651666 432439502 /nfs/dbraw/zinc/43/95/02/432439502.db2.gz JVPYSXWOIPWYGE-DJSGYFEHSA-N 2 1 301.821 3.057 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000261684833 432441313 /nfs/dbraw/zinc/44/13/13/432441313.db2.gz IMEXSZRQPNYQSZ-KZNAEPCWSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000261838253 432454994 /nfs/dbraw/zinc/45/49/94/432454994.db2.gz QLPHPBOYLGTVPF-FQEVSTJZSA-N 2 1 320.440 3.196 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000261845509 432455057 /nfs/dbraw/zinc/45/50/57/432455057.db2.gz RALHLBFACOXCFG-NRFANRHFSA-N 2 1 324.468 3.463 20 0 DGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC1CC[NH2+]CC1 ZINC000261851089 432456075 /nfs/dbraw/zinc/45/60/75/432456075.db2.gz STWARFBAIWOKSG-UHFFFAOYSA-N 2 1 316.367 3.016 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1 ZINC000261889405 432457919 /nfs/dbraw/zinc/45/79/19/432457919.db2.gz XFMLOPAIKCAAGQ-AWEZNQCLSA-N 2 1 316.449 3.119 20 0 DGADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192771300 432411139 /nfs/dbraw/zinc/41/11/39/432411139.db2.gz ZNEUZLOOAKMSFD-MOPGFXCFSA-N 2 1 309.542 3.303 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192771315 432411172 /nfs/dbraw/zinc/41/11/72/432411172.db2.gz ZNEUZLOOAKMSFD-RBUKOAKNSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000262051598 432471806 /nfs/dbraw/zinc/47/18/06/432471806.db2.gz ZPBCTKRINDSJOU-FUHWJXTLSA-N 2 1 324.472 3.409 20 0 DGADMP C[C@@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000262057826 432472286 /nfs/dbraw/zinc/47/22/86/432472286.db2.gz QVWNESSOYMDLIY-YJYMSZOUSA-N 2 1 316.395 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000262057826 432472291 /nfs/dbraw/zinc/47/22/91/432472291.db2.gz QVWNESSOYMDLIY-YJYMSZOUSA-N 2 1 316.395 3.376 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC3 ZINC000272266123 432473769 /nfs/dbraw/zinc/47/37/69/432473769.db2.gz BGVVWNYJIJAGMH-INIZCTEOSA-N 2 1 309.457 3.185 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000262131718 432475028 /nfs/dbraw/zinc/47/50/28/432475028.db2.gz LMRHQGYEGHYKOH-IACUBPJLSA-N 2 1 314.351 3.144 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000262131718 432475029 /nfs/dbraw/zinc/47/50/29/432475029.db2.gz LMRHQGYEGHYKOH-IACUBPJLSA-N 2 1 314.351 3.144 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000262378199 432484714 /nfs/dbraw/zinc/48/47/14/432484714.db2.gz YLWCOVBSIWFXPT-YLFCFFPRSA-N 2 1 321.534 3.251 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1C(C)C ZINC000262458954 432486031 /nfs/dbraw/zinc/48/60/31/432486031.db2.gz IKLAESCRNWDANW-LJQANCHMSA-N 2 1 302.462 3.183 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262495025 432487476 /nfs/dbraw/zinc/48/74/76/432487476.db2.gz LGUCJALLJFJCLM-KYOSRNDESA-N 2 1 314.351 3.330 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262495025 432487480 /nfs/dbraw/zinc/48/74/80/432487480.db2.gz LGUCJALLJFJCLM-KYOSRNDESA-N 2 1 314.351 3.330 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000262565493 432491650 /nfs/dbraw/zinc/49/16/50/432491650.db2.gz WLVYHTPGVHMROC-CFVMTHIKSA-N 2 1 315.848 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000262565493 432491653 /nfs/dbraw/zinc/49/16/53/432491653.db2.gz WLVYHTPGVHMROC-CFVMTHIKSA-N 2 1 315.848 3.366 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C(C)C ZINC000262585561 432493168 /nfs/dbraw/zinc/49/31/68/432493168.db2.gz ZRQMWBQRHGETEK-IAGOWNOFSA-N 2 1 302.462 3.039 20 0 DGADMP Cc1cc(NC2CC[NH+](C)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000272495177 432512784 /nfs/dbraw/zinc/51/27/84/432512784.db2.gz CYLPMZKZMKVXKU-OAHLLOKOSA-N 2 1 302.466 3.275 20 0 DGADMP Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272441467 432502674 /nfs/dbraw/zinc/50/26/74/432502674.db2.gz ITUMWPQKEXTWMF-IEBWSBKVSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441467 432502679 /nfs/dbraw/zinc/50/26/79/432502679.db2.gz ITUMWPQKEXTWMF-IEBWSBKVSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447444 432504017 /nfs/dbraw/zinc/50/40/17/432504017.db2.gz VHFXZNWBCQHFJD-RSPOEFSDSA-N 2 1 324.472 3.057 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000154539568 432504845 /nfs/dbraw/zinc/50/48/45/432504845.db2.gz XBGIHZVMAZBRMJ-SFHVURJKSA-N 2 1 303.494 3.063 20 0 DGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC000261950471 432464294 /nfs/dbraw/zinc/46/42/94/432464294.db2.gz WEYHMQVQWMQTPX-DFQSSKMNSA-N 2 1 310.441 3.408 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000261970140 432466278 /nfs/dbraw/zinc/46/62/78/432466278.db2.gz QFJHPPLFFYBOEV-MRXNPFEDSA-N 2 1 310.445 3.020 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000261970140 432466279 /nfs/dbraw/zinc/46/62/79/432466279.db2.gz QFJHPPLFFYBOEV-MRXNPFEDSA-N 2 1 310.445 3.020 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(C(C)C)c(C)c2)C1 ZINC000261995151 432467207 /nfs/dbraw/zinc/46/72/07/432467207.db2.gz UFVZMNINLMTAHI-KRWDZBQOSA-N 2 1 304.478 3.429 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000273123298 432555349 /nfs/dbraw/zinc/55/53/49/432555349.db2.gz HQDNVBAIVUORRI-UHFFFAOYSA-N 2 1 319.836 3.302 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000273123298 432555353 /nfs/dbraw/zinc/55/53/53/432555353.db2.gz HQDNVBAIVUORRI-UHFFFAOYSA-N 2 1 319.836 3.302 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000194536254 432558547 /nfs/dbraw/zinc/55/85/47/432558547.db2.gz SCHOSMCYNDXZNW-GASCZTMLSA-N 2 1 300.377 3.079 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000194536254 432558549 /nfs/dbraw/zinc/55/85/49/432558549.db2.gz SCHOSMCYNDXZNW-GASCZTMLSA-N 2 1 300.377 3.079 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000194536254 432558553 /nfs/dbraw/zinc/55/85/53/432558553.db2.gz SCHOSMCYNDXZNW-GASCZTMLSA-N 2 1 300.377 3.079 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000194536254 432558555 /nfs/dbraw/zinc/55/85/55/432558555.db2.gz SCHOSMCYNDXZNW-GASCZTMLSA-N 2 1 300.377 3.079 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185623404 432516863 /nfs/dbraw/zinc/51/68/63/432516863.db2.gz IKLXBJWBRXGGKM-UKRRQHHQSA-N 2 1 306.425 3.274 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185623404 432516865 /nfs/dbraw/zinc/51/68/65/432516865.db2.gz IKLXBJWBRXGGKM-UKRRQHHQSA-N 2 1 306.425 3.274 20 0 DGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(OC)cc1 ZINC000154825803 432523121 /nfs/dbraw/zinc/52/31/21/432523121.db2.gz KAQHILKDVCUGME-LJQANCHMSA-N 2 1 320.477 3.237 20 0 DGADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185735130 432528881 /nfs/dbraw/zinc/52/88/81/432528881.db2.gz FDVGNFVUVYEYKL-FUHWJXTLSA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185735189 432529251 /nfs/dbraw/zinc/52/92/51/432529251.db2.gz FDVGNFVUVYEYKL-AEFFLSMTSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154949471 432530936 /nfs/dbraw/zinc/53/09/36/432530936.db2.gz BZKAVCAUTZMVMY-GDBMZVCRSA-N 2 1 315.461 3.028 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177263705 432606089 /nfs/dbraw/zinc/60/60/89/432606089.db2.gz PIOVZLHVZPTWSY-GBESFXJTSA-N 2 1 318.505 3.487 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135902 432606884 /nfs/dbraw/zinc/60/68/84/432606884.db2.gz YERRLHSTVGMRML-NVXWUHKLSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135902 432606887 /nfs/dbraw/zinc/60/68/87/432606887.db2.gz YERRLHSTVGMRML-NVXWUHKLSA-N 2 1 313.420 3.393 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000194888595 432584194 /nfs/dbraw/zinc/58/41/94/432584194.db2.gz PQUYNTVIJMRWQQ-HZPDHXFCSA-N 2 1 322.518 3.296 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186369769 432588224 /nfs/dbraw/zinc/58/82/24/432588224.db2.gz CBOJIBPNPBVONU-MRXNPFEDSA-N 2 1 318.461 3.153 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000156521099 432599894 /nfs/dbraw/zinc/59/98/94/432599894.db2.gz SUWSZBOAVIVPFQ-NHYWBVRUSA-N 2 1 316.367 3.144 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000156657268 432603095 /nfs/dbraw/zinc/60/30/95/432603095.db2.gz LTGVWEKIHDORHG-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c3cccnc23)CC1 ZINC000157413386 432620455 /nfs/dbraw/zinc/62/04/55/432620455.db2.gz QOQWWOVRMVVSPW-UHFFFAOYSA-N 2 1 301.409 3.290 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c3cccnc23)CC1 ZINC000157413386 432620460 /nfs/dbraw/zinc/62/04/60/432620460.db2.gz QOQWWOVRMVVSPW-UHFFFAOYSA-N 2 1 301.409 3.290 20 0 DGADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CCCC2)c1 ZINC000157882003 432633266 /nfs/dbraw/zinc/63/32/66/432633266.db2.gz SOXUGCKBYBYRDL-APWZRJJASA-N 2 1 316.489 3.437 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000186997806 432641164 /nfs/dbraw/zinc/64/11/64/432641164.db2.gz QNQREDPYZGOSHQ-QGZVFWFLSA-N 2 1 322.518 3.398 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158249178 432641955 /nfs/dbraw/zinc/64/19/55/432641955.db2.gz SSRJPGOOMWZFKR-NWDGAFQWSA-N 2 1 316.367 3.420 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158249178 432641958 /nfs/dbraw/zinc/64/19/58/432641958.db2.gz SSRJPGOOMWZFKR-NWDGAFQWSA-N 2 1 316.367 3.420 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000158256228 432642165 /nfs/dbraw/zinc/64/21/65/432642165.db2.gz WSQPIKHMEOIBMR-CVEARBPZSA-N 2 1 320.477 3.476 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158859440 432661554 /nfs/dbraw/zinc/66/15/54/432661554.db2.gz VKQOHGQMRMZATL-HKUYNNGSSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158890547 432663123 /nfs/dbraw/zinc/66/31/23/432663123.db2.gz QEALGHKUNSOWGW-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158890547 432663128 /nfs/dbraw/zinc/66/31/28/432663128.db2.gz QEALGHKUNSOWGW-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158911253 432663466 /nfs/dbraw/zinc/66/34/66/432663466.db2.gz AUABVDFPTQQDHP-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158911253 432663468 /nfs/dbraw/zinc/66/34/68/432663468.db2.gz AUABVDFPTQQDHP-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158911253 432663472 /nfs/dbraw/zinc/66/34/72/432663472.db2.gz AUABVDFPTQQDHP-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000158960254 432664826 /nfs/dbraw/zinc/66/48/26/432664826.db2.gz ZYFAUJFQPVFBNF-QZTJIDSGSA-N 2 1 304.478 3.047 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059693 432666243 /nfs/dbraw/zinc/66/62/43/432666243.db2.gz MWVHGJQEAFIXTK-GJZGRUSLSA-N 2 1 313.449 3.049 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059693 432666247 /nfs/dbraw/zinc/66/62/47/432666247.db2.gz MWVHGJQEAFIXTK-GJZGRUSLSA-N 2 1 313.449 3.049 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000178260372 432713956 /nfs/dbraw/zinc/71/39/56/432713956.db2.gz FLCYXUFTMNTPGP-BEFAXECRSA-N 2 1 323.440 3.309 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccoc1 ZINC000178307383 432718498 /nfs/dbraw/zinc/71/84/98/432718498.db2.gz SFBQBVWMISKFFM-HNNXBMFYSA-N 2 1 314.429 3.087 20 0 DGADMP CC[NH+]1CCC([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000159290028 432678528 /nfs/dbraw/zinc/67/85/28/432678528.db2.gz RPOLIVJEUKBHMU-UHFFFAOYSA-N 2 1 321.896 3.383 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000177979429 432681781 /nfs/dbraw/zinc/68/17/81/432681781.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979429 432681785 /nfs/dbraw/zinc/68/17/85/432681785.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979429 432681789 /nfs/dbraw/zinc/68/17/89/432681789.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979429 432681790 /nfs/dbraw/zinc/68/17/90/432681790.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979429 432681794 /nfs/dbraw/zinc/68/17/94/432681794.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 2 1 315.505 3.242 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187746638 432681831 /nfs/dbraw/zinc/68/18/31/432681831.db2.gz MQIURCGNVCCBKA-AWEZNQCLSA-N 2 1 310.869 3.144 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000178036259 432685890 /nfs/dbraw/zinc/68/58/90/432685890.db2.gz QFNPUVFIAIPDFM-QLFBSQMISA-N 2 1 306.450 3.146 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000178036259 432685894 /nfs/dbraw/zinc/68/58/94/432685894.db2.gz QFNPUVFIAIPDFM-QLFBSQMISA-N 2 1 306.450 3.146 20 0 DGADMP C([NH2+][C@@H]1CCC12CCCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000189163612 432768880 /nfs/dbraw/zinc/76/88/80/432768880.db2.gz GFXNEJGBTUQNRT-QGZVFWFLSA-N 2 1 306.494 3.334 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOC(F)(F)F)cc1 ZINC000189227263 432771826 /nfs/dbraw/zinc/77/18/26/432771826.db2.gz FAXQXOUERCPYLB-NSHDSACASA-N 2 1 313.323 3.368 20 0 DGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236981844 432774793 /nfs/dbraw/zinc/77/47/93/432774793.db2.gz YJOSTOLVZAJZFD-VKJFTORMSA-N 2 1 317.477 3.373 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000237255609 432781578 /nfs/dbraw/zinc/78/15/78/432781578.db2.gz KONOBYFPYZSUCD-FUHWJXTLSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000178472608 432741284 /nfs/dbraw/zinc/74/12/84/432741284.db2.gz MZLHOHJNJALGEF-XUJVJEKNSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000275744563 432744735 /nfs/dbraw/zinc/74/47/35/432744735.db2.gz QXZDMRLVNBCRGA-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000275744559 432745262 /nfs/dbraw/zinc/74/52/62/432745262.db2.gz QXZDMRLVNBCRGA-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000162247590 432817103 /nfs/dbraw/zinc/81/71/03/432817103.db2.gz FVUSIEGEEZZZJH-HNNXBMFYSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000162247590 432817106 /nfs/dbraw/zinc/81/71/06/432817106.db2.gz FVUSIEGEEZZZJH-HNNXBMFYSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000162247590 432817109 /nfs/dbraw/zinc/81/71/09/432817109.db2.gz FVUSIEGEEZZZJH-HNNXBMFYSA-N 2 1 301.434 3.240 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162560778 432826949 /nfs/dbraw/zinc/82/69/49/432826949.db2.gz HXRAVDFOQMLLTP-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162560778 432826952 /nfs/dbraw/zinc/82/69/52/432826952.db2.gz HXRAVDFOQMLLTP-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000245503134 432837861 /nfs/dbraw/zinc/83/78/61/432837861.db2.gz HPAQYBUWJFKJJA-AOIWGVFYSA-N 2 1 316.489 3.370 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000162155305 432814756 /nfs/dbraw/zinc/81/47/56/432814756.db2.gz HVTJAJSTNKVRPL-LJQANCHMSA-N 2 1 304.478 3.220 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000245740016 432860364 /nfs/dbraw/zinc/86/03/64/432860364.db2.gz RKGJOLJBQHOZHY-UVBQOVKKSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCCO1 ZINC000277640316 432866005 /nfs/dbraw/zinc/86/60/05/432866005.db2.gz CVSQFOYBMSDYCZ-YZGWKJHDSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCCO1 ZINC000277640316 432866008 /nfs/dbraw/zinc/86/60/08/432866008.db2.gz CVSQFOYBMSDYCZ-YZGWKJHDSA-N 2 1 316.489 3.413 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000246041710 432875448 /nfs/dbraw/zinc/87/54/48/432875448.db2.gz XDBPEXNUULKAOI-GOEBONIOSA-N 2 1 305.466 3.079 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000246041710 432875451 /nfs/dbraw/zinc/87/54/51/432875451.db2.gz XDBPEXNUULKAOI-GOEBONIOSA-N 2 1 305.466 3.079 20 0 DGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000296207495 432883025 /nfs/dbraw/zinc/88/30/25/432883025.db2.gz ZOBBEUJMJPKDQI-HBUWYVDXSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000296207495 432883026 /nfs/dbraw/zinc/88/30/26/432883026.db2.gz ZOBBEUJMJPKDQI-HBUWYVDXSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000296207497 432883107 /nfs/dbraw/zinc/88/31/07/432883107.db2.gz ZOBBEUJMJPKDQI-LBTNJELSSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000296207497 432883110 /nfs/dbraw/zinc/88/31/10/432883110.db2.gz ZOBBEUJMJPKDQI-LBTNJELSSA-N 2 1 308.416 3.484 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000296316252 432894923 /nfs/dbraw/zinc/89/49/23/432894923.db2.gz GWDHOGVRPOBEQS-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000296316252 432894925 /nfs/dbraw/zinc/89/49/25/432894925.db2.gz GWDHOGVRPOBEQS-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245551226 432843754 /nfs/dbraw/zinc/84/37/54/432843754.db2.gz ILJZNWLJXBZOSE-XMTFNYHQSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000268101927 432844689 /nfs/dbraw/zinc/84/46/89/432844689.db2.gz KWCRYDKXKCAMEJ-UXHICEINSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163369091 432850593 /nfs/dbraw/zinc/85/05/93/432850593.db2.gz DESHCZBFOIABPK-SZXPJGKVSA-N 2 1 321.896 3.237 20 0 DGADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000277525424 432858051 /nfs/dbraw/zinc/85/80/51/432858051.db2.gz UBJAPDWBCPUBSD-HUUCEWRRSA-N 2 1 303.450 3.127 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279029248 432926658 /nfs/dbraw/zinc/92/66/58/432926658.db2.gz VWYRMHJIPAGUNF-OLZOCXBDSA-N 2 1 321.371 3.398 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000289150949 432927784 /nfs/dbraw/zinc/92/77/84/432927784.db2.gz GHPSIGIEVDNVCH-INIZCTEOSA-N 2 1 317.408 3.397 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2ccccc2n1 ZINC000279035073 432928358 /nfs/dbraw/zinc/92/83/58/432928358.db2.gz WNIUDPBIBSAECL-CABCVRRESA-N 2 1 306.413 3.345 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000289247852 432937928 /nfs/dbraw/zinc/93/79/28/432937928.db2.gz FAAKJMVBRHBCTM-WOJBJXKFSA-N 2 1 312.457 3.277 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000289321217 432945247 /nfs/dbraw/zinc/94/52/47/432945247.db2.gz UQCJNPFTEDSQQG-KRWDZBQOSA-N 2 1 318.436 3.286 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464403 432911182 /nfs/dbraw/zinc/91/11/82/432911182.db2.gz NLLMOSOFYJFABV-JZXOWHBKSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464403 432911184 /nfs/dbraw/zinc/91/11/84/432911184.db2.gz NLLMOSOFYJFABV-JZXOWHBKSA-N 2 1 304.478 3.036 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000296514580 432917180 /nfs/dbraw/zinc/91/71/80/432917180.db2.gz PQJLBLBXFPTSSQ-HCXYKTFWSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000278918076 432917561 /nfs/dbraw/zinc/91/75/61/432917561.db2.gz HNDMPIYKBUPZQI-ZFWWWQNUSA-N 2 1 315.465 3.056 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289774365 432975161 /nfs/dbraw/zinc/97/51/61/432975161.db2.gz XUTOKGLLQKCGOT-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000290189590 433008340 /nfs/dbraw/zinc/00/83/40/433008340.db2.gz ZXIFPUJXDGQYQT-UHFFFAOYSA-N 2 1 305.372 3.300 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000290223269 433015982 /nfs/dbraw/zinc/01/59/82/433015982.db2.gz RABPCTPDOXKTGG-SXLOBPIMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000290234253 433018931 /nfs/dbraw/zinc/01/89/31/433018931.db2.gz ITVZLUGYYRFXNC-UWJYYQICSA-N 2 1 324.468 3.363 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290287233 433028054 /nfs/dbraw/zinc/02/80/54/433028054.db2.gz XRRXNBPWJQIYJL-LMMKCTJWSA-N 2 1 304.478 3.302 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2CCSCc2ccccc2)C1 ZINC000290324843 433032813 /nfs/dbraw/zinc/03/28/13/433032813.db2.gz DIMUIONSTJWOMQ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324843 433032817 /nfs/dbraw/zinc/03/28/17/433032817.db2.gz DIMUIONSTJWOMQ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324843 433032822 /nfs/dbraw/zinc/03/28/22/433032822.db2.gz DIMUIONSTJWOMQ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000290324843 433032825 /nfs/dbraw/zinc/03/28/25/433032825.db2.gz DIMUIONSTJWOMQ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCSCc2ccccc2)C1 ZINC000290324843 433032830 /nfs/dbraw/zinc/03/28/30/433032830.db2.gz DIMUIONSTJWOMQ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP FC(F)Oc1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298030099 433042739 /nfs/dbraw/zinc/04/27/39/433042739.db2.gz FVBJJWSOKDIZQY-UHFFFAOYSA-N 2 1 310.388 3.047 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000341433793 433056785 /nfs/dbraw/zinc/05/67/85/433056785.db2.gz NZQQAHXXSDWIBW-GOEBONIOSA-N 2 1 306.450 3.229 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnn1-c1ccccc1C ZINC000290483146 433061933 /nfs/dbraw/zinc/06/19/33/433061933.db2.gz ODWANGZGVOLOEV-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1-c1ccccc1C ZINC000290483146 433061942 /nfs/dbraw/zinc/06/19/42/433061942.db2.gz ODWANGZGVOLOEV-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP Cc1cccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1C ZINC000298250979 433072451 /nfs/dbraw/zinc/07/24/51/433072451.db2.gz KNRMESMDSHIXSR-UHFFFAOYSA-N 2 1 317.521 3.151 20 0 DGADMP COCC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CCC1 ZINC000361288717 433081266 /nfs/dbraw/zinc/08/12/66/433081266.db2.gz MSINVZOXPSHFTH-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000361288717 433081272 /nfs/dbraw/zinc/08/12/72/433081272.db2.gz MSINVZOXPSHFTH-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000361288717 433081281 /nfs/dbraw/zinc/08/12/81/433081281.db2.gz MSINVZOXPSHFTH-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453315025 433081564 /nfs/dbraw/zinc/08/15/64/433081564.db2.gz ZETIQMFUBACQMD-HSMVNMDESA-N 2 1 314.832 3.176 20 0 DGADMP COCC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000361298240 433089800 /nfs/dbraw/zinc/08/98/00/433089800.db2.gz XBDIOGSWHLFFEA-GOSISDBHSA-N 2 1 308.510 3.391 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453321127 433091703 /nfs/dbraw/zinc/09/17/03/433091703.db2.gz NSUBXEBIZJNNAA-AHEZYBDSSA-N 2 1 324.896 3.388 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C(C)(C)C ZINC000453376593 433136462 /nfs/dbraw/zinc/13/64/62/433136462.db2.gz YGXOOKSPXSPSBQ-WWTUQBGBSA-N 2 1 304.482 3.222 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1C(C)(C)C ZINC000453376593 433136469 /nfs/dbraw/zinc/13/64/69/433136469.db2.gz YGXOOKSPXSPSBQ-WWTUQBGBSA-N 2 1 304.482 3.222 20 0 DGADMP Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc[nH+]1 ZINC000290679799 433137217 /nfs/dbraw/zinc/13/72/17/433137217.db2.gz SGVINIUEOSSUOU-MRXNPFEDSA-N 2 1 311.429 3.223 20 0 DGADMP Cc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc[nH+]1 ZINC000290679799 433137229 /nfs/dbraw/zinc/13/72/29/433137229.db2.gz SGVINIUEOSSUOU-MRXNPFEDSA-N 2 1 311.429 3.223 20 0 DGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(OC(F)(F)F)c1 ZINC000420294957 433146896 /nfs/dbraw/zinc/14/68/96/433146896.db2.gz BPAXNCAURSZOTL-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000420299465 433149896 /nfs/dbraw/zinc/14/98/96/433149896.db2.gz GOTJBTVPKOWKPF-YJBOKZPZSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H]2CCc3ccccc3C2)cc1 ZINC000420305851 433153117 /nfs/dbraw/zinc/15/31/17/433153117.db2.gz QCKNRDGEOVIUKF-PMACEKPBSA-N 2 1 324.468 3.227 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@@H](C)C1 ZINC000290572937 433101118 /nfs/dbraw/zinc/10/11/18/433101118.db2.gz FIXIJODVOBPTHN-MAUKXSAKSA-N 2 1 302.462 3.047 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000420300942 433154971 /nfs/dbraw/zinc/15/49/71/433154971.db2.gz IDMBMEYTZDCDKC-OAHLLOKOSA-N 2 1 300.450 3.069 20 0 DGADMP Cc1ccc(CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000420299805 433155051 /nfs/dbraw/zinc/15/50/51/433155051.db2.gz JIICUUJQJDWVGB-PMACEKPBSA-N 2 1 316.489 3.018 20 0 DGADMP Clc1ccccc1[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420301572 433155122 /nfs/dbraw/zinc/15/51/22/433155122.db2.gz LMIWWSQYMHJSHR-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420301572 433155129 /nfs/dbraw/zinc/15/51/29/433155129.db2.gz LMIWWSQYMHJSHR-RHSMWYFYSA-N 2 1 308.853 3.103 20 0 DGADMP FCCCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420301172 433156252 /nfs/dbraw/zinc/15/62/52/433156252.db2.gz AHTMJKLUWMKKRC-CQSZACIVSA-N 2 1 311.470 3.227 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420320264 433159474 /nfs/dbraw/zinc/15/94/74/433159474.db2.gz BCMZAOMOQPQVAS-CVEARBPZSA-N 2 1 320.502 3.109 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1OC(F)(F)F ZINC000420318269 433161788 /nfs/dbraw/zinc/16/17/88/433161788.db2.gz OGGOLYYTLKGWKC-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420324434 433164789 /nfs/dbraw/zinc/16/47/89/433164789.db2.gz VHXRCZYDVIMMLS-QGZVFWFLSA-N 2 1 316.420 3.399 20 0 DGADMP CN(C)c1ncc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1C ZINC000425331789 433167170 /nfs/dbraw/zinc/16/71/70/433167170.db2.gz YHSPGCGVLVTDRR-KRWDZBQOSA-N 2 1 312.461 3.256 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420322341 433167128 /nfs/dbraw/zinc/16/71/28/433167128.db2.gz DTQYQMXHVFJOIS-KFWWJZLASA-N 2 1 323.506 3.062 20 0 DGADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335229 433171013 /nfs/dbraw/zinc/17/10/13/433171013.db2.gz IEBPPVPASSSDIF-GUYCJALGSA-N 2 1 316.424 3.208 20 0 DGADMP C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335229 433171023 /nfs/dbraw/zinc/17/10/23/433171023.db2.gz IEBPPVPASSSDIF-GUYCJALGSA-N 2 1 316.424 3.208 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cnc(C)cn2)cc1 ZINC000453420103 433171557 /nfs/dbraw/zinc/17/15/57/433171557.db2.gz ZDCIALNIEURCQM-HNNXBMFYSA-N 2 1 321.428 3.172 20 0 DGADMP Clc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331588 433171895 /nfs/dbraw/zinc/17/18/95/433171895.db2.gz QZHRPYCTUYHVIB-VXGBXAGGSA-N 2 1 314.260 3.210 20 0 DGADMP Clc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331588 433171902 /nfs/dbraw/zinc/17/19/02/433171902.db2.gz QZHRPYCTUYHVIB-VXGBXAGGSA-N 2 1 314.260 3.210 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000420336080 433172131 /nfs/dbraw/zinc/17/21/31/433172131.db2.gz VKAGHKMZANLRMD-IAGOWNOFSA-N 2 1 311.429 3.163 20 0 DGADMP CC(C)[C@@H](C[NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000280784988 433172614 /nfs/dbraw/zinc/17/26/14/433172614.db2.gz FZSBNWKLNZYMGL-GOSISDBHSA-N 2 1 304.478 3.127 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000420336077 433172859 /nfs/dbraw/zinc/17/28/59/433172859.db2.gz VKAGHKMZANLRMD-DLBZAZTESA-N 2 1 311.429 3.163 20 0 DGADMP CC(C)(C)c1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298538276 433173343 /nfs/dbraw/zinc/17/33/43/433173343.db2.gz STOMERXRSGGDFO-IBGZPJMESA-N 2 1 316.489 3.234 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346108 433173996 /nfs/dbraw/zinc/17/39/96/433173996.db2.gz WGYXXHJAHUZTJU-BHYGNILZSA-N 2 1 311.429 3.334 20 0 DGADMP Clc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345946 433175772 /nfs/dbraw/zinc/17/57/72/433175772.db2.gz WYHQOCKUZKQCTD-LSDHHAIUSA-N 2 1 308.853 3.040 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000420360622 433177008 /nfs/dbraw/zinc/17/70/08/433177008.db2.gz GMFHDGRFLGHCJE-HXUWFJFHSA-N 2 1 324.472 3.065 20 0 DGADMP CC1(C)C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000453428102 433178347 /nfs/dbraw/zinc/17/83/47/433178347.db2.gz PMODGATWOAKUAN-GOSISDBHSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361459938 433181999 /nfs/dbraw/zinc/18/19/99/433181999.db2.gz OMPPKSYWVJNZBZ-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361459938 433182010 /nfs/dbraw/zinc/18/20/10/433182010.db2.gz OMPPKSYWVJNZBZ-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000361459939 433183565 /nfs/dbraw/zinc/18/35/65/433183565.db2.gz OMPPKSYWVJNZBZ-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361459939 433183572 /nfs/dbraw/zinc/18/35/72/433183572.db2.gz OMPPKSYWVJNZBZ-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC2CC[NH2+]CC2)CC1)CC1CC1 ZINC000420377555 433186907 /nfs/dbraw/zinc/18/69/07/433186907.db2.gz SMINVGYNNQKVBX-UHFFFAOYSA-N 3 1 321.553 3.210 20 0 DGADMP CC(C)COc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298585198 433186990 /nfs/dbraw/zinc/18/69/90/433186990.db2.gz YDGSRXONIAXKDU-UHFFFAOYSA-N 2 1 316.489 3.480 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381791 433193262 /nfs/dbraw/zinc/19/32/62/433193262.db2.gz CRFZZTNDFXHJBR-FUHWJXTLSA-N 2 1 302.462 3.438 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425363804 433200509 /nfs/dbraw/zinc/20/05/09/433200509.db2.gz WTFKUSOHKOODSX-BZSNNMDCSA-N 2 1 322.518 3.180 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425363804 433200520 /nfs/dbraw/zinc/20/05/20/433200520.db2.gz WTFKUSOHKOODSX-BZSNNMDCSA-N 2 1 322.518 3.180 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2c(c1)OCCCCO2)C1CC1 ZINC000453591559 433219488 /nfs/dbraw/zinc/21/94/88/433219488.db2.gz CPAOYCLWEFZDCT-UHFFFAOYSA-N 2 1 318.461 3.202 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000291107555 433224410 /nfs/dbraw/zinc/22/44/10/433224410.db2.gz FDZNMVGMSCICKI-ILZDJORESA-N 2 1 316.489 3.302 20 0 DGADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2ccccc2)n1 ZINC000453597063 433226652 /nfs/dbraw/zinc/22/66/52/433226652.db2.gz MXIBUDRNLYPTMA-UHFFFAOYSA-N 2 1 312.461 3.051 20 0 DGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374601229 433235153 /nfs/dbraw/zinc/23/51/53/433235153.db2.gz GZIWVGCLMDKWGG-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374601229 433235161 /nfs/dbraw/zinc/23/51/61/433235161.db2.gz GZIWVGCLMDKWGG-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281099816 433262924 /nfs/dbraw/zinc/26/29/24/433262924.db2.gz BITNEEZBDQBGSO-PXAZEXFGSA-N 2 1 302.397 3.103 20 0 DGADMP C[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000361497218 433211064 /nfs/dbraw/zinc/21/10/64/433211064.db2.gz OQLVILUOZNVCDG-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000361497218 433211076 /nfs/dbraw/zinc/21/10/76/433211076.db2.gz OQLVILUOZNVCDG-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000361497218 433211086 /nfs/dbraw/zinc/21/10/86/433211086.db2.gz OQLVILUOZNVCDG-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420924243 433318864 /nfs/dbraw/zinc/31/88/64/433318864.db2.gz JLMSPTWDAVADAA-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000420924243 433318867 /nfs/dbraw/zinc/31/88/67/433318867.db2.gz JLMSPTWDAVADAA-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420927826 433323592 /nfs/dbraw/zinc/32/35/92/433323592.db2.gz CIPSLZLGEJZABR-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420927826 433323600 /nfs/dbraw/zinc/32/36/00/433323600.db2.gz CIPSLZLGEJZABR-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777716 433324497 /nfs/dbraw/zinc/32/44/97/433324497.db2.gz BQGQVYJDCJNHGM-XWIAVFTESA-N 2 1 321.896 3.015 20 0 DGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338777716 433324508 /nfs/dbraw/zinc/32/45/08/433324508.db2.gz BQGQVYJDCJNHGM-XWIAVFTESA-N 2 1 321.896 3.015 20 0 DGADMP C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000420931016 433324709 /nfs/dbraw/zinc/32/47/09/433324709.db2.gz CZISMZDQTUYSRK-XLIONFOSSA-N 2 1 316.489 3.123 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000337999346 433272670 /nfs/dbraw/zinc/27/26/70/433272670.db2.gz OFUBXBGSBHSPDM-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]([NH2+]CCCO[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338294243 433287730 /nfs/dbraw/zinc/28/77/30/433287730.db2.gz XWBPJFRKRLYXBV-JENIJYKNSA-N 2 1 324.509 3.162 20 0 DGADMP CO[C@H](C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000338336499 433293854 /nfs/dbraw/zinc/29/38/54/433293854.db2.gz ALURSVDVWKVYDW-QGZVFWFLSA-N 2 1 310.869 3.445 20 0 DGADMP CO[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000338336499 433293859 /nfs/dbraw/zinc/29/38/59/433293859.db2.gz ALURSVDVWKVYDW-QGZVFWFLSA-N 2 1 310.869 3.445 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)[C@H]1C ZINC000420915955 433313270 /nfs/dbraw/zinc/31/32/70/433313270.db2.gz NIGIWOMIKXMWBK-IRXDYDNUSA-N 2 1 302.462 3.139 20 0 DGADMP COCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291812208 433361369 /nfs/dbraw/zinc/36/13/69/433361369.db2.gz YHZBAKNDXYISLN-UHFFFAOYSA-N 2 1 322.468 3.095 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361748121 433369510 /nfs/dbraw/zinc/36/95/10/433369510.db2.gz GRLPJNNIYNKIEF-WNHJNPCNSA-N 2 1 302.462 3.287 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361748121 433369520 /nfs/dbraw/zinc/36/95/20/433369520.db2.gz GRLPJNNIYNKIEF-WNHJNPCNSA-N 2 1 302.462 3.287 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000361762768 433375956 /nfs/dbraw/zinc/37/59/56/433375956.db2.gz CJIANVIUSHJFEW-XLMAVXFVSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361762768 433375967 /nfs/dbraw/zinc/37/59/67/433375967.db2.gz CJIANVIUSHJFEW-XLMAVXFVSA-N 3 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361762768 433375974 /nfs/dbraw/zinc/37/59/74/433375974.db2.gz CJIANVIUSHJFEW-XLMAVXFVSA-N 3 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000361762767 433376320 /nfs/dbraw/zinc/37/63/20/433376320.db2.gz CJIANVIUSHJFEW-MUQADHOPSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361762767 433376332 /nfs/dbraw/zinc/37/63/32/433376332.db2.gz CJIANVIUSHJFEW-MUQADHOPSA-N 3 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361762767 433376341 /nfs/dbraw/zinc/37/63/41/433376341.db2.gz CJIANVIUSHJFEW-MUQADHOPSA-N 3 1 321.534 3.061 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000425936232 433377222 /nfs/dbraw/zinc/37/72/22/433377222.db2.gz LQPFKTFKMLTECV-RYRKJORJSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C2 ZINC000425936232 433377234 /nfs/dbraw/zinc/37/72/34/433377234.db2.gz LQPFKTFKMLTECV-RYRKJORJSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C2 ZINC000425935444 433379339 /nfs/dbraw/zinc/37/93/39/433379339.db2.gz DHEYICGCAXMUAI-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000414082013 433383855 /nfs/dbraw/zinc/38/38/55/433383855.db2.gz VTUOPWAQWVAOQV-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000421015841 433386167 /nfs/dbraw/zinc/38/61/67/433386167.db2.gz LFTSPYBMQVTJMQ-BRWVUGGUSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000421015841 433386170 /nfs/dbraw/zinc/38/61/70/433386170.db2.gz LFTSPYBMQVTJMQ-BRWVUGGUSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000421015841 433386177 /nfs/dbraw/zinc/38/61/77/433386177.db2.gz LFTSPYBMQVTJMQ-BRWVUGGUSA-N 2 1 324.509 3.161 20 0 DGADMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc(C)n1 ZINC000301152902 433432471 /nfs/dbraw/zinc/43/24/71/433432471.db2.gz BLAPXWWUGWDELZ-UHFFFAOYSA-N 2 1 310.445 3.194 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421032547 433398768 /nfs/dbraw/zinc/39/87/68/433398768.db2.gz WVWMJGWKOGPXOK-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C ZINC000414113156 433403468 /nfs/dbraw/zinc/40/34/68/433403468.db2.gz RQHYDTOLOAGIIC-XLNTUCKNSA-N 2 1 316.489 3.168 20 0 DGADMP COCC[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301082741 433405257 /nfs/dbraw/zinc/40/52/57/433405257.db2.gz CVNLOECSUPSNJO-UHFFFAOYSA-N 2 1 319.836 3.411 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000339166245 433406440 /nfs/dbraw/zinc/40/64/40/433406440.db2.gz DUFTUUDHMYVXMY-UHFFFAOYSA-N 2 1 304.821 3.397 20 0 DGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887833 433436879 /nfs/dbraw/zinc/43/68/79/433436879.db2.gz GDRXPRZPCKQQQA-NHCUHLMSSA-N 2 1 324.468 3.364 20 0 DGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000361887833 433436888 /nfs/dbraw/zinc/43/68/88/433436888.db2.gz GDRXPRZPCKQQQA-NHCUHLMSSA-N 2 1 324.468 3.364 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887012 433439858 /nfs/dbraw/zinc/43/98/58/433439858.db2.gz BKKQIAPLNOIIAC-YJBOKZPZSA-N 2 1 316.470 3.036 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887012 433439865 /nfs/dbraw/zinc/43/98/65/433439865.db2.gz BKKQIAPLNOIIAC-YJBOKZPZSA-N 2 1 316.470 3.036 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355058018 433443470 /nfs/dbraw/zinc/44/34/70/433443470.db2.gz CPJYAUURTCCPMI-FXAWDEMLSA-N 2 1 315.505 3.238 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000414181935 433446079 /nfs/dbraw/zinc/44/60/79/433446079.db2.gz MOTMJXYXANMQPA-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078767 433451366 /nfs/dbraw/zinc/45/13/66/433451366.db2.gz FLIZVVPXJVDAQO-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)cc1 ZINC000281984618 433453476 /nfs/dbraw/zinc/45/34/76/433453476.db2.gz CDBWDKBKAJQAFC-MRXNPFEDSA-N 2 1 314.477 3.421 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)C[C@@H]21 ZINC000342084590 433457591 /nfs/dbraw/zinc/45/75/91/433457591.db2.gz LYKRGLBLSQAAHP-RRQGHBQHSA-N 2 1 308.853 3.168 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]21 ZINC000342101387 433468730 /nfs/dbraw/zinc/46/87/30/433468730.db2.gz KOBDVDADEHHGOZ-CKEIUWERSA-N 2 1 315.848 3.447 20 0 DGADMP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000414240309 433478017 /nfs/dbraw/zinc/47/80/17/433478017.db2.gz ZSYYKBILFVJZEQ-OXJNMPFZSA-N 2 1 316.489 3.444 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@H]2C)CC1 ZINC000355138073 433485395 /nfs/dbraw/zinc/48/53/95/433485395.db2.gz SBBPSRJVWNJBQY-IAGOWNOFSA-N 2 1 301.478 3.059 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000292226153 433516487 /nfs/dbraw/zinc/51/64/87/433516487.db2.gz QUGOHARFLUYKRC-QFBILLFUSA-N 2 1 318.436 3.145 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@H]12 ZINC000351474173 433521279 /nfs/dbraw/zinc/52/12/79/433521279.db2.gz FSJWHTDEEYZUEY-VBNZEHGJSA-N 2 1 317.820 3.164 20 0 DGADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479555 433523004 /nfs/dbraw/zinc/52/30/04/433523004.db2.gz RTGGHNYPQYRLLN-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479555 433523011 /nfs/dbraw/zinc/52/30/11/433523011.db2.gz RTGGHNYPQYRLLN-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479555 433523019 /nfs/dbraw/zinc/52/30/19/433523019.db2.gz RTGGHNYPQYRLLN-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](CC)c1ccccc1 ZINC000351479555 433523029 /nfs/dbraw/zinc/52/30/29/433523029.db2.gz RTGGHNYPQYRLLN-RTBURBONSA-N 2 1 304.478 3.305 20 0 DGADMP C[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000282196106 433529651 /nfs/dbraw/zinc/52/96/51/433529651.db2.gz CGSLLPFACJPOEX-HNNXBMFYSA-N 2 1 323.912 3.059 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000351498077 433530979 /nfs/dbraw/zinc/53/09/79/433530979.db2.gz YWWXXDZTFJNGJI-UHFFFAOYSA-N 2 1 318.461 3.154 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342135861 433492334 /nfs/dbraw/zinc/49/23/34/433492334.db2.gz QKCYMTHTVARKKO-QEJZJMRPSA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342135861 433492341 /nfs/dbraw/zinc/49/23/41/433492341.db2.gz QKCYMTHTVARKKO-QEJZJMRPSA-N 2 1 317.458 3.271 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(F)F)c1 ZINC000375607983 433503435 /nfs/dbraw/zinc/50/34/35/433503435.db2.gz PJXPTWHFNSDEPD-BRWVUGGUSA-N 2 1 324.415 3.308 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(F)F)c1 ZINC000375607983 433503444 /nfs/dbraw/zinc/50/34/44/433503444.db2.gz PJXPTWHFNSDEPD-BRWVUGGUSA-N 2 1 324.415 3.308 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@H](O)CN(C)C1CC1)CC1CCC1 ZINC000351523394 433551037 /nfs/dbraw/zinc/55/10/37/433551037.db2.gz OBWAMSCKSDMVHA-OXQOHEQNSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523394 433551044 /nfs/dbraw/zinc/55/10/44/433551044.db2.gz OBWAMSCKSDMVHA-OXQOHEQNSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523394 433551052 /nfs/dbraw/zinc/55/10/52/433551052.db2.gz OBWAMSCKSDMVHA-OXQOHEQNSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000351523394 433551061 /nfs/dbraw/zinc/55/10/61/433551061.db2.gz OBWAMSCKSDMVHA-OXQOHEQNSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000351523394 433551069 /nfs/dbraw/zinc/55/10/69/433551069.db2.gz OBWAMSCKSDMVHA-OXQOHEQNSA-N 2 1 316.489 3.305 20 0 DGADMP CC(C)[C@H](c1ccccc1Cl)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351522739 433551277 /nfs/dbraw/zinc/55/12/77/433551277.db2.gz ZKZWLEQNQBMZOL-CRAIPNDOSA-N 2 1 324.896 3.424 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282285191 433551313 /nfs/dbraw/zinc/55/13/13/433551313.db2.gz LIJCXSNPZZXZOO-OAHLLOKOSA-N 2 1 308.429 3.210 20 0 DGADMP Cc1cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nc(C)n1 ZINC000301451161 433561895 /nfs/dbraw/zinc/56/18/95/433561895.db2.gz QFCNAGHMYAIDAH-MRXNPFEDSA-N 2 1 310.445 3.194 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)c1 ZINC000282327004 433566421 /nfs/dbraw/zinc/56/64/21/433566421.db2.gz UOPGJYUGIGTFIO-MRXNPFEDSA-N 2 1 314.477 3.421 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OCc1ccccc1 ZINC000339428319 433576236 /nfs/dbraw/zinc/57/62/36/433576236.db2.gz IJPIZIYTVHGUOQ-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OCc1ccccc1 ZINC000339428319 433576247 /nfs/dbraw/zinc/57/62/47/433576247.db2.gz IJPIZIYTVHGUOQ-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282357502 433577578 /nfs/dbraw/zinc/57/75/78/433577578.db2.gz NAXWLRJHBXSRPV-LJQANCHMSA-N 2 1 317.521 3.042 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574364 433587318 /nfs/dbraw/zinc/58/73/18/433587318.db2.gz OIJWTTNDPFEGDW-ZWKOTPCHSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574364 433587331 /nfs/dbraw/zinc/58/73/31/433587331.db2.gz OIJWTTNDPFEGDW-ZWKOTPCHSA-N 2 1 324.896 3.472 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414322698 433542963 /nfs/dbraw/zinc/54/29/63/433542963.db2.gz FWLNERRWGKSRRA-BQFCYCMXSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414322698 433542970 /nfs/dbraw/zinc/54/29/70/433542970.db2.gz FWLNERRWGKSRRA-BQFCYCMXSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)CN(C)C2CC2)c1C ZINC000351519189 433547495 /nfs/dbraw/zinc/54/74/95/433547495.db2.gz NWKDTZYPMRKQLW-UYAOXDASSA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000351519189 433547520 /nfs/dbraw/zinc/54/75/20/433547520.db2.gz NWKDTZYPMRKQLW-UYAOXDASSA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000351519189 433547535 /nfs/dbraw/zinc/54/75/35/433547535.db2.gz NWKDTZYPMRKQLW-UYAOXDASSA-N 2 1 316.489 3.286 20 0 DGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351588327 433597347 /nfs/dbraw/zinc/59/73/47/433597347.db2.gz HEJDVDJOWAMGPP-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351588327 433597355 /nfs/dbraw/zinc/59/73/55/433597355.db2.gz HEJDVDJOWAMGPP-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000351588327 433597363 /nfs/dbraw/zinc/59/73/63/433597363.db2.gz HEJDVDJOWAMGPP-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351588327 433597374 /nfs/dbraw/zinc/59/73/74/433597374.db2.gz HEJDVDJOWAMGPP-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)C[C@H]1CC=CCC1 ZINC000362252364 433606563 /nfs/dbraw/zinc/60/65/63/433606563.db2.gz PGTHSXUPBHJJOR-SFHVURJKSA-N 2 1 305.466 3.276 20 0 DGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H]1CC=CCC1 ZINC000362252364 433606571 /nfs/dbraw/zinc/60/65/71/433606571.db2.gz PGTHSXUPBHJJOR-SFHVURJKSA-N 2 1 305.466 3.276 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000376084139 433660813 /nfs/dbraw/zinc/66/08/13/433660813.db2.gz SMRSERVPXHXDGZ-FGTMMUONSA-N 2 1 318.509 3.156 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376086921 433662428 /nfs/dbraw/zinc/66/24/28/433662428.db2.gz WIQBHEPFSVLCTP-IRXDYDNUSA-N 2 1 315.465 3.021 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC2CCCC2)c1 ZINC000422822589 533693372 /nfs/dbraw/zinc/69/33/72/533693372.db2.gz KEPBMJFZKHDCQF-MRXNPFEDSA-N 2 1 318.461 3.248 20 0 DGADMP Cc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000449022051 433672076 /nfs/dbraw/zinc/67/20/76/433672076.db2.gz WSJGNCAZDDWTIB-GASCZTMLSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000293258246 433674954 /nfs/dbraw/zinc/67/49/54/433674954.db2.gz BWNWVDKGRVMUSP-QGZVFWFLSA-N 2 1 303.837 3.456 20 0 DGADMP Cc1nc(NCCc2nc3ccc(F)cc3n2C)c(C)c(C)[nH+]1 ZINC000301683480 433675853 /nfs/dbraw/zinc/67/58/53/433675853.db2.gz KMDJUNHHQUNDET-UHFFFAOYSA-N 2 1 313.380 3.082 20 0 DGADMP CC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)CC(F)(F)F ZINC000414513169 433677871 /nfs/dbraw/zinc/67/78/71/433677871.db2.gz FJYSWXRZUVGCLW-JTQLQIEISA-N 2 1 309.401 3.273 20 0 DGADMP C[C@]1(C[NH2+]C[C@@H]2CCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000376148012 433678258 /nfs/dbraw/zinc/67/82/58/433678258.db2.gz JKSWJUZDXMIPLR-ZWKOTPCHSA-N 2 1 304.503 3.241 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000283207850 433689647 /nfs/dbraw/zinc/68/96/47/433689647.db2.gz LVEYVSNBRPTLCK-COXVUDFISA-N 2 1 309.885 3.015 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000367041745 293015461 /nfs/dbraw/zinc/01/54/61/293015461.db2.gz ADIKJYODPZNZMX-CVEARBPZSA-N 2 1 310.507 3.363 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000367041745 293015464 /nfs/dbraw/zinc/01/54/64/293015464.db2.gz ADIKJYODPZNZMX-CVEARBPZSA-N 2 1 310.507 3.363 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000368452582 293123801 /nfs/dbraw/zinc/12/38/01/293123801.db2.gz CEYSDGRSMHJLKF-IBGZPJMESA-N 2 1 314.473 3.456 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373389813 293268536 /nfs/dbraw/zinc/26/85/36/293268536.db2.gz AIRRBHXEHZNQGG-GBESFXJTSA-N 2 1 309.542 3.161 20 0 DGADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000373402465 293269949 /nfs/dbraw/zinc/26/99/49/293269949.db2.gz AZAQPVXEXLJEID-KRWDZBQOSA-N 2 1 317.408 3.094 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000374269141 293374647 /nfs/dbraw/zinc/37/46/47/293374647.db2.gz NFVLIPSJIAAVHI-AEFFLSMTSA-N 2 1 318.509 3.171 20 0 DGADMP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000449061380 433715627 /nfs/dbraw/zinc/71/56/27/433715627.db2.gz IJGOJOAJZRMZNB-SFHVURJKSA-N 2 1 302.462 3.187 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449070283 433726372 /nfs/dbraw/zinc/72/63/72/433726372.db2.gz BWLOVGZGHARLOO-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449070283 433726376 /nfs/dbraw/zinc/72/63/76/433726376.db2.gz BWLOVGZGHARLOO-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000356854560 433732941 /nfs/dbraw/zinc/73/29/41/433732941.db2.gz UITDPKFWSJBSCY-JYBIWHBTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000356854560 433732949 /nfs/dbraw/zinc/73/29/49/433732949.db2.gz UITDPKFWSJBSCY-JYBIWHBTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421825620 433748164 /nfs/dbraw/zinc/74/81/64/433748164.db2.gz ONMUHGBRNCNSCQ-AEFFLSMTSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421825620 433748178 /nfs/dbraw/zinc/74/81/78/433748178.db2.gz ONMUHGBRNCNSCQ-AEFFLSMTSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000351851257 433754842 /nfs/dbraw/zinc/75/48/42/433754842.db2.gz KVZCOKCJYXLWCY-DOTOQJQBSA-N 2 1 320.440 3.170 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857049 433758914 /nfs/dbraw/zinc/75/89/14/433758914.db2.gz AVVGLNOVDOVRRZ-KVSKMBFKSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000351857049 433758931 /nfs/dbraw/zinc/75/89/31/433758931.db2.gz AVVGLNOVDOVRRZ-KVSKMBFKSA-N 2 1 323.440 3.036 20 0 DGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000414649951 433769889 /nfs/dbraw/zinc/76/98/89/433769889.db2.gz CQKBFABLUZRYAN-MRXNPFEDSA-N 2 1 310.441 3.451 20 0 DGADMP CCC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC000414659897 433772579 /nfs/dbraw/zinc/77/25/79/433772579.db2.gz UIVTZYVVNCTCDY-HNNXBMFYSA-N 2 1 322.468 3.477 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000414658467 433773484 /nfs/dbraw/zinc/77/34/84/433773484.db2.gz JMSFRGOQOXAEJM-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CCCc1nccn1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283779745 433776093 /nfs/dbraw/zinc/77/60/93/433776093.db2.gz DDFDSHNRGCRCQX-GOSISDBHSA-N 2 1 313.445 3.127 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000414669007 433779283 /nfs/dbraw/zinc/77/92/83/433779283.db2.gz JWRXRUCHKLKONH-OWIUFQIYSA-N 2 1 320.452 3.072 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000414676975 433783109 /nfs/dbraw/zinc/78/31/09/433783109.db2.gz NYTZKBYMTHFTDQ-XYJFISCASA-N 2 1 304.478 3.336 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000362637418 433800044 /nfs/dbraw/zinc/80/00/44/433800044.db2.gz FPGAVMSQTBGMOX-UHFFFAOYSA-N 2 1 312.461 3.321 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000414712987 433803597 /nfs/dbraw/zinc/80/35/97/433803597.db2.gz VBSQGYIGWRCOGS-UMVBOHGHSA-N 2 1 307.507 3.403 20 0 DGADMP Brc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772848 433825017 /nfs/dbraw/zinc/82/50/17/433825017.db2.gz CPMFGVYBCHLMBF-UONOGXRCSA-N 2 1 323.278 3.271 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000351968177 433825141 /nfs/dbraw/zinc/82/51/41/433825141.db2.gz PBZIFCUTWBQLCW-INIZCTEOSA-N 2 1 321.490 3.383 20 0 DGADMP Cc1ccc2nc(C[NH2+]CCCC[N@@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000283977011 433809900 /nfs/dbraw/zinc/80/99/00/433809900.db2.gz NXUQHNBMKZFROG-MRXNPFEDSA-N 2 1 314.477 3.244 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1)CC1CC1 ZINC000414736388 433811900 /nfs/dbraw/zinc/81/19/00/433811900.db2.gz GPKMNMIVJFMHAN-PXNSSMCTSA-N 3 1 321.553 3.209 20 0 DGADMP Cc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302034125 433812957 /nfs/dbraw/zinc/81/29/57/433812957.db2.gz JHVIPJDIOFHCNC-NVXWUHKLSA-N 2 1 302.466 3.184 20 0 DGADMP Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302034125 433812963 /nfs/dbraw/zinc/81/29/63/433812963.db2.gz JHVIPJDIOFHCNC-NVXWUHKLSA-N 2 1 302.466 3.184 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC(F)F)cc1C ZINC000414772428 433825307 /nfs/dbraw/zinc/82/53/07/433825307.db2.gz UIDIDAWQVUQAOZ-GASCZTMLSA-N 2 1 324.415 3.336 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744623 433815691 /nfs/dbraw/zinc/81/56/91/433815691.db2.gz OPQOHWPHJTYNFE-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744623 433815699 /nfs/dbraw/zinc/81/56/99/433815699.db2.gz OPQOHWPHJTYNFE-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414746453 433816687 /nfs/dbraw/zinc/81/66/87/433816687.db2.gz ZEXAQPQWNAVYCX-DLBZAZTESA-N 2 1 317.477 3.034 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000362685900 433819368 /nfs/dbraw/zinc/81/93/68/433819368.db2.gz GGVBCLAZMKGHPL-SFHVURJKSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000362685900 433819377 /nfs/dbraw/zinc/81/93/77/433819377.db2.gz GGVBCLAZMKGHPL-SFHVURJKSA-N 2 1 301.409 3.428 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414763785 433822071 /nfs/dbraw/zinc/82/20/71/433822071.db2.gz XYYSUUDXQHQHOX-LTDCPUDJSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000414836441 433873617 /nfs/dbraw/zinc/87/36/17/433873617.db2.gz SLNPJNWKUCPLHJ-DUXKGJEZSA-N 2 1 323.484 3.329 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@@H+]1C ZINC000344626708 433874416 /nfs/dbraw/zinc/87/44/16/433874416.db2.gz KSNXNIFWOUNWOU-OBHHBEAMSA-N 2 1 302.462 3.491 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@H+]1C ZINC000344626708 433874424 /nfs/dbraw/zinc/87/44/24/433874424.db2.gz KSNXNIFWOUNWOU-OBHHBEAMSA-N 2 1 302.462 3.491 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414840184 433874388 /nfs/dbraw/zinc/87/43/88/433874388.db2.gz YDGDZRHJYHFUKU-INIZCTEOSA-N 2 1 310.441 3.451 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414771314 433825737 /nfs/dbraw/zinc/82/57/37/433825737.db2.gz PIJKHXAYGBKELU-BPLDGKMQSA-N 2 1 312.379 3.350 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414774756 433826616 /nfs/dbraw/zinc/82/66/16/433826616.db2.gz FWNYMXTYCCSKBW-HZPDHXFCSA-N 2 1 324.415 3.152 20 0 DGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414782056 433829697 /nfs/dbraw/zinc/82/96/97/433829697.db2.gz NYQNFHUVLWESFS-DNKSCHSHSA-N 2 1 306.400 3.300 20 0 DGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432408518 433829756 /nfs/dbraw/zinc/82/97/56/433829756.db2.gz BROUZPWBMVKHMA-SPYBWZPUSA-N 2 1 320.452 3.150 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414786199 433833107 /nfs/dbraw/zinc/83/31/07/433833107.db2.gz UHGBWFNVKDTDTR-BPQIPLTHSA-N 2 1 302.462 3.120 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788484 433835738 /nfs/dbraw/zinc/83/57/38/433835738.db2.gz WOGWOYLVIGQDDZ-SJORKVTESA-N 2 1 318.509 3.076 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC12CCOCC2 ZINC000414790581 433838946 /nfs/dbraw/zinc/83/89/46/433838946.db2.gz PNLJOVZXFHTEFL-IBGZPJMESA-N 2 1 310.441 3.027 20 0 DGADMP c1ccc(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435619890 433877642 /nfs/dbraw/zinc/87/76/42/433877642.db2.gz XKEBRFPVNFCHHC-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293722812 433842773 /nfs/dbraw/zinc/84/27/73/433842773.db2.gz UEBKJZVQBCCDEC-LPHOPBHVSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000414845413 433878006 /nfs/dbraw/zinc/87/80/06/433878006.db2.gz DJMWGQPRBXKSSR-QWRGUYRKSA-N 2 1 304.331 3.322 20 0 DGADMP CCCOc1c(Cl)cc(C[NH2+]CC(C)(C)[NH3+])cc1OCC ZINC000414806891 433849322 /nfs/dbraw/zinc/84/93/22/433849322.db2.gz QOTOYVUJVPEJHA-UHFFFAOYSA-N 2 1 314.857 3.354 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(C)c(Br)s1 ZINC000414811508 433854222 /nfs/dbraw/zinc/85/42/22/433854222.db2.gz JJJHOMSJVOENFJ-SNVBAGLBSA-N 2 1 305.285 3.426 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414810871 433854419 /nfs/dbraw/zinc/85/44/19/433854419.db2.gz OWWQBYZPZAEVLO-IPMKNSEASA-N 2 1 315.505 3.004 20 0 DGADMP c1cc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cs2)co1 ZINC000357079726 433856979 /nfs/dbraw/zinc/85/69/79/433856979.db2.gz MQRGCAUZCKSQEG-AWEZNQCLSA-N 2 1 317.458 3.225 20 0 DGADMP Cc1csc(CN2CCC[C@@H]2CNc2cccc(C)n2)n1 ZINC000362806029 433865605 /nfs/dbraw/zinc/86/56/05/433865605.db2.gz MVWKBDRLFMHLRU-CQSZACIVSA-N 2 1 302.447 3.231 20 0 DGADMP c1csc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000357107574 433866981 /nfs/dbraw/zinc/86/69/81/433866981.db2.gz RYVADEBWLLUIHX-AWEZNQCLSA-N 2 1 317.458 3.225 20 0 DGADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414832888 433867749 /nfs/dbraw/zinc/86/77/49/433867749.db2.gz FDZNRLWPXIVNMI-BHIYHBOVSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000414831519 433869045 /nfs/dbraw/zinc/86/90/45/433869045.db2.gz CIKPGTPZNBGZEO-UXPWSPDFSA-N 2 1 315.505 3.319 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362914982 433908056 /nfs/dbraw/zinc/90/80/56/433908056.db2.gz XMNSUCAHDUNFCN-LBPRGKRZSA-N 2 1 300.381 3.238 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cc(Br)ccc2F)CCC[NH2+]C1 ZINC000414905744 433908909 /nfs/dbraw/zinc/90/89/09/433908909.db2.gz ORXBLXGTFPCPEQ-CQSZACIVSA-N 2 1 315.230 3.068 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414900227 433909733 /nfs/dbraw/zinc/90/97/33/433909733.db2.gz IAVJZKHDYGMVIZ-OAHLLOKOSA-N 2 1 317.260 3.481 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000414916224 433912262 /nfs/dbraw/zinc/91/22/62/433912262.db2.gz PDNMGUSQNJDZDR-BHIYHBOVSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233404 433919339 /nfs/dbraw/zinc/91/93/39/433919339.db2.gz PQMDSSRDAGZGTM-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H](C)CC(C)C)CC2)nc(C)[nH+]1 ZINC000377649474 293689736 /nfs/dbraw/zinc/68/97/36/293689736.db2.gz MOMUWKHKMXXQNQ-AWEZNQCLSA-N 2 1 304.482 3.334 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1C[NH3+] ZINC000422562421 433924705 /nfs/dbraw/zinc/92/47/05/433924705.db2.gz PZOATLOGYFWRGR-VNHYZAJKSA-N 2 1 312.404 3.136 20 0 DGADMP CSC[C@H]1CCC[NH+]1CC(C)C[N@@H+]1CCC[C@@H]1CSC ZINC000362950909 433925404 /nfs/dbraw/zinc/92/54/04/433925404.db2.gz ITENECKGETWPEP-HZPDHXFCSA-N 2 1 316.580 3.277 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(OCCC)c1 ZINC000414940600 433926832 /nfs/dbraw/zinc/92/68/32/433926832.db2.gz BVZJXFJHQBRUOL-RDJZCZTQSA-N 2 1 320.477 3.494 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCC3CCCCC3)C2)CC1 ZINC000377614026 433927144 /nfs/dbraw/zinc/92/71/44/433927144.db2.gz GTJQOHZMJVKIAV-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000414848059 433879135 /nfs/dbraw/zinc/87/91/35/433879135.db2.gz WQSLQAOGDHWHBC-VIFPVBQESA-N 2 1 305.647 3.048 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)cc1SC ZINC000414842004 433879587 /nfs/dbraw/zinc/87/95/87/433879587.db2.gz OPRMTPLAHGNNKI-JTQLQIEISA-N 2 1 317.296 3.116 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414851633 433880971 /nfs/dbraw/zinc/88/09/71/433880971.db2.gz OONCYLJEZNGLMG-GOSISDBHSA-N 3 1 317.521 3.124 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414851633 433880979 /nfs/dbraw/zinc/88/09/79/433880979.db2.gz OONCYLJEZNGLMG-GOSISDBHSA-N 2 1 317.521 3.124 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414854121 433881869 /nfs/dbraw/zinc/88/18/69/433881869.db2.gz ULEZZKZGCLYOGW-SFHVURJKSA-N 2 1 313.445 3.124 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414851634 433883422 /nfs/dbraw/zinc/88/34/22/433883422.db2.gz OONCYLJEZNGLMG-SFHVURJKSA-N 3 1 317.521 3.124 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414851634 433883427 /nfs/dbraw/zinc/88/34/27/433883427.db2.gz OONCYLJEZNGLMG-SFHVURJKSA-N 2 1 317.521 3.124 20 0 DGADMP C[N@H+]1C[C@H]2CN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C[C@H]2C1 ZINC000302870722 433889263 /nfs/dbraw/zinc/88/92/63/433889263.db2.gz YPJKNBHEKAUHNE-TXEJJXNPSA-N 2 1 321.346 3.251 20 0 DGADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C[C@H]2C1 ZINC000302870722 433889267 /nfs/dbraw/zinc/88/92/67/433889267.db2.gz YPJKNBHEKAUHNE-TXEJJXNPSA-N 2 1 321.346 3.251 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414860442 433890236 /nfs/dbraw/zinc/89/02/36/433890236.db2.gz VLDIJHPTFKFXQJ-GHMZBOCLSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422778533 433993378 /nfs/dbraw/zinc/99/33/78/433993378.db2.gz HQMDDHMHTOEREP-IUODEOHRSA-N 2 1 323.278 3.068 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000352151261 433943942 /nfs/dbraw/zinc/94/39/42/433943942.db2.gz PIVQDPZALSWTEG-YTBHAWNYSA-N 2 1 302.462 3.168 20 0 DGADMP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422718171 433947583 /nfs/dbraw/zinc/94/75/83/433947583.db2.gz PGAZXEHAJPBRIM-IPHXSNPTSA-N 2 1 321.468 3.168 20 0 DGADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340162122 433948487 /nfs/dbraw/zinc/94/84/87/433948487.db2.gz DULBOJIMXVPUKH-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721106 433949029 /nfs/dbraw/zinc/94/90/29/433949029.db2.gz UNFZNRAPFJAVCP-RTBURBONSA-N 3 1 301.478 3.377 20 0 DGADMP N[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721106 433949041 /nfs/dbraw/zinc/94/90/41/433949041.db2.gz UNFZNRAPFJAVCP-RTBURBONSA-N 2 1 301.478 3.377 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000414987889 433955654 /nfs/dbraw/zinc/95/56/54/433955654.db2.gz ZJDPCVAHXYVDQR-QGZVFWFLSA-N 2 1 314.429 3.101 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340176943 433956213 /nfs/dbraw/zinc/95/62/13/433956213.db2.gz JBHGVEIEMQZTPF-GOSISDBHSA-N 2 1 307.526 3.107 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340173356 433959253 /nfs/dbraw/zinc/95/92/53/433959253.db2.gz GISRZIBWINQSLY-RTBURBONSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173356 433959256 /nfs/dbraw/zinc/95/92/56/433959256.db2.gz GISRZIBWINQSLY-RTBURBONSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173356 433959261 /nfs/dbraw/zinc/95/92/61/433959261.db2.gz GISRZIBWINQSLY-RTBURBONSA-N 2 1 303.494 3.142 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422738144 433960477 /nfs/dbraw/zinc/96/04/77/433960477.db2.gz JGNBRBVRNJHLOA-CRAIPNDOSA-N 2 1 318.509 3.154 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422738144 433960487 /nfs/dbraw/zinc/96/04/87/433960487.db2.gz JGNBRBVRNJHLOA-CRAIPNDOSA-N 2 1 318.509 3.154 20 0 DGADMP CCOC1CC2(C1)CC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000285473768 433962599 /nfs/dbraw/zinc/96/25/99/433962599.db2.gz KWTYFURHWCKGMN-UHFFFAOYSA-N 2 1 311.429 3.263 20 0 DGADMP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178916 433964113 /nfs/dbraw/zinc/96/41/13/433964113.db2.gz DRUYFPJQOKIMMC-RTBURBONSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178916 433964119 /nfs/dbraw/zinc/96/41/19/433964119.db2.gz DRUYFPJQOKIMMC-RTBURBONSA-N 2 1 304.478 3.474 20 0 DGADMP CC1CC[NH+](CCN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340183185 433964939 /nfs/dbraw/zinc/96/49/39/433964939.db2.gz KVZFRNUIEJKPGL-PMACEKPBSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1c[nH+]ccc1N ZINC000422744910 433965238 /nfs/dbraw/zinc/96/52/38/433965238.db2.gz UJZWQEZVVRIBCB-LLVKDONJSA-N 2 1 304.463 3.141 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422743146 433966997 /nfs/dbraw/zinc/96/69/97/433966997.db2.gz IARRRLQOICKANU-IAGOWNOFSA-N 3 1 303.494 3.319 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422743575 433967821 /nfs/dbraw/zinc/96/78/21/433967821.db2.gz UGVHPHSSFSJBLQ-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000415122588 433972408 /nfs/dbraw/zinc/97/24/08/433972408.db2.gz OIIDXDGSFUSOPK-RVKKMQEKSA-N 2 1 312.461 3.098 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415052241 433975312 /nfs/dbraw/zinc/97/53/12/433975312.db2.gz MWMCJAAKMXKEBJ-AEFFLSMTSA-N 2 1 310.445 3.041 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415052241 433975322 /nfs/dbraw/zinc/97/53/22/433975322.db2.gz MWMCJAAKMXKEBJ-AEFFLSMTSA-N 2 1 310.445 3.041 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CC3 ZINC000415063907 433975495 /nfs/dbraw/zinc/97/54/95/433975495.db2.gz JAPLSVUVSQQFON-QRWLVFNGSA-N 2 1 311.473 3.441 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000415086939 433976796 /nfs/dbraw/zinc/97/67/96/433976796.db2.gz SHVTVEMCEQMMLL-DLBZAZTESA-N 2 1 321.534 3.253 20 0 DGADMP CCc1nc(NC2CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000304279422 433993033 /nfs/dbraw/zinc/99/30/33/433993033.db2.gz FAORFKOGYBEQOP-UHFFFAOYSA-N 2 1 310.445 3.424 20 0 DGADMP CN(Cc1cc(Cl)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285521438 433979586 /nfs/dbraw/zinc/97/95/86/433979586.db2.gz OIUKWBHWZPCKOT-SJPCQFCGSA-N 2 1 320.864 3.332 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCCC2)C[C@@H]1c1ccccc1 ZINC000340199872 433981813 /nfs/dbraw/zinc/98/18/13/433981813.db2.gz AWXWGHRIEZODNC-PKOBYXMFSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)C[C@@H]1c1ccccc1 ZINC000340199872 433981820 /nfs/dbraw/zinc/98/18/20/433981820.db2.gz AWXWGHRIEZODNC-PKOBYXMFSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422766493 433982066 /nfs/dbraw/zinc/98/20/66/433982066.db2.gz QDQAIBAXQBJTCK-SJORKVTESA-N 3 1 303.494 3.367 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000377756459 433983418 /nfs/dbraw/zinc/98/34/18/433983418.db2.gz AWAWHUXQLPPEIL-GUDVDZBRSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000377756459 433983430 /nfs/dbraw/zinc/98/34/30/433983430.db2.gz AWAWHUXQLPPEIL-GUDVDZBRSA-N 2 1 324.472 3.108 20 0 DGADMP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1c[nH+]ccc1N ZINC000422762119 433983572 /nfs/dbraw/zinc/98/35/72/433983572.db2.gz NNTICDHBPCCPEH-YVEFUNNKSA-N 2 1 318.852 3.101 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363168295 433985044 /nfs/dbraw/zinc/98/50/44/433985044.db2.gz WLOPSYCAYCLQQH-GJZGRUSLSA-N 2 1 310.388 3.047 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c2ccccc21 ZINC000340202261 433985088 /nfs/dbraw/zinc/98/50/88/433985088.db2.gz ULFJEMUQHGOJBF-LSDHHAIUSA-N 2 1 316.420 3.086 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340215171 433991646 /nfs/dbraw/zinc/99/16/46/433991646.db2.gz FKZOBLLFFAQCJN-LSDHHAIUSA-N 2 1 310.507 3.363 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340215171 433991654 /nfs/dbraw/zinc/99/16/54/433991654.db2.gz FKZOBLLFFAQCJN-LSDHHAIUSA-N 2 1 310.507 3.363 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422780207 433992061 /nfs/dbraw/zinc/99/20/61/433992061.db2.gz JXQMIEUDWMMQIZ-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000422780207 433992069 /nfs/dbraw/zinc/99/20/69/433992069.db2.gz JXQMIEUDWMMQIZ-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235482 434003193 /nfs/dbraw/zinc/00/31/93/434003193.db2.gz GDXUAXAPYUMENN-PKOBYXMFSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235482 434003200 /nfs/dbraw/zinc/00/32/00/434003200.db2.gz GDXUAXAPYUMENN-PKOBYXMFSA-N 2 1 313.445 3.259 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000285583541 434004462 /nfs/dbraw/zinc/00/44/62/434004462.db2.gz IUAZXZZVRJKWCK-CYBMUJFWSA-N 2 1 324.490 3.306 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(C2CC2)c1 ZINC000340236653 434007064 /nfs/dbraw/zinc/00/70/64/434007064.db2.gz LMTYYLCBUXVQFN-OXJNMPFZSA-N 2 1 316.489 3.307 20 0 DGADMP COc1ccc(Cl)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285597297 434007839 /nfs/dbraw/zinc/00/78/39/434007839.db2.gz VADGUILHIIWPFF-XYPWUTKMSA-N 2 1 308.853 3.406 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340246856 434012964 /nfs/dbraw/zinc/01/29/64/434012964.db2.gz YBUZEJVDYIGNPN-BZSNNMDCSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340246856 434012970 /nfs/dbraw/zinc/01/29/70/434012970.db2.gz YBUZEJVDYIGNPN-BZSNNMDCSA-N 2 1 304.478 3.209 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422800562 434015003 /nfs/dbraw/zinc/01/50/03/434015003.db2.gz CFIRIUDCLPCBGF-HOCLYGCPSA-N 2 1 306.450 3.104 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000340255751 434016260 /nfs/dbraw/zinc/01/62/60/434016260.db2.gz LBLTUFUJUDYFPE-VSZNYVQBSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000340255751 434016274 /nfs/dbraw/zinc/01/62/74/434016274.db2.gz LBLTUFUJUDYFPE-VSZNYVQBSA-N 2 1 302.462 3.225 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811906 434020060 /nfs/dbraw/zinc/02/00/60/434020060.db2.gz VGJLGLBFFYPSNP-OALUTQOASA-N 3 1 301.478 3.032 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811905 434021046 /nfs/dbraw/zinc/02/10/46/434021046.db2.gz VGJLGLBFFYPSNP-MOPGFXCFSA-N 3 1 301.478 3.032 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3Cc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422808194 434021267 /nfs/dbraw/zinc/02/12/67/434021267.db2.gz NSNZAFJOMKREPI-FHWLQOOXSA-N 2 1 308.425 3.073 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)o1 ZINC000340271035 434024786 /nfs/dbraw/zinc/02/47/86/434024786.db2.gz JHGPXNBDDMYNSH-MJGOQNOKSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)o1 ZINC000340271035 434024790 /nfs/dbraw/zinc/02/47/90/434024790.db2.gz JHGPXNBDDMYNSH-MJGOQNOKSA-N 2 1 313.445 3.259 20 0 DGADMP C[C@H](CCN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000422823164 434031747 /nfs/dbraw/zinc/03/17/47/434031747.db2.gz LIURXWHGKKCEBX-LMMKCTJWSA-N 2 1 303.494 3.017 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000363381803 434032163 /nfs/dbraw/zinc/03/21/63/434032163.db2.gz KSJUFHJMBIGMFR-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000363381803 434032174 /nfs/dbraw/zinc/03/21/74/434032174.db2.gz KSJUFHJMBIGMFR-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831698 434033406 /nfs/dbraw/zinc/03/34/06/434033406.db2.gz TXXHOMJTGDGRJF-ROUUACIJSA-N 2 1 320.440 3.054 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422829772 434034173 /nfs/dbraw/zinc/03/41/73/434034173.db2.gz BYTHRUMCBWVPLB-OALUTQOASA-N 2 1 308.425 3.258 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1c[nH+]ccc1N ZINC000422829862 434034521 /nfs/dbraw/zinc/03/45/21/434034521.db2.gz CCCCHOHQFXVQEM-JSGCOSHPSA-N 2 1 316.836 3.077 20 0 DGADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCCN1 ZINC000422828259 434036224 /nfs/dbraw/zinc/03/62/24/434036224.db2.gz OESZNEKDKKXWQX-QAPCUYQASA-N 2 1 321.534 3.080 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000285679076 434037124 /nfs/dbraw/zinc/03/71/24/434037124.db2.gz NWAJMSGWBFKTOS-CYBMUJFWSA-N 2 1 310.463 3.061 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340224961 433993730 /nfs/dbraw/zinc/99/37/30/433993730.db2.gz FLWQVEJAAPSNBC-YTQUADARSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340224961 433993742 /nfs/dbraw/zinc/99/37/42/433993742.db2.gz FLWQVEJAAPSNBC-YTQUADARSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340224961 433993751 /nfs/dbraw/zinc/99/37/51/433993751.db2.gz FLWQVEJAAPSNBC-YTQUADARSA-N 2 1 303.494 3.142 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377785942 433995410 /nfs/dbraw/zinc/99/54/10/433995410.db2.gz RCVMMNQECOASRK-IAGOWNOFSA-N 2 1 303.450 3.005 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377785942 433995414 /nfs/dbraw/zinc/99/54/14/433995414.db2.gz RCVMMNQECOASRK-IAGOWNOFSA-N 2 1 303.450 3.005 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(O)CC3)cc2)C1 ZINC000285570536 433999598 /nfs/dbraw/zinc/99/95/98/433999598.db2.gz HXQUYZSKPIQUML-PBPGXSGUSA-N 2 1 316.489 3.312 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1ccsc1 ZINC000422863329 434061117 /nfs/dbraw/zinc/06/11/17/434061117.db2.gz OOYUYJLEFWJRRE-HYVNUMGLSA-N 2 1 309.523 3.109 20 0 DGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422862104 434061144 /nfs/dbraw/zinc/06/11/44/434061144.db2.gz JUZAOCVJBHEUHE-ROUUACIJSA-N 2 1 320.477 3.160 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422866924 434064755 /nfs/dbraw/zinc/06/47/55/434064755.db2.gz RDPQXWZUGWSOHQ-PMACEKPBSA-N 2 1 310.441 3.373 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422866683 434068951 /nfs/dbraw/zinc/06/89/51/434068951.db2.gz QRNQBKVNSGXATD-WOJBJXKFSA-N 2 1 310.441 3.373 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422874417 434073728 /nfs/dbraw/zinc/07/37/28/434073728.db2.gz CUPXXPMDCZGRHP-DLBZAZTESA-N 3 1 303.494 3.278 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340357863 434082624 /nfs/dbraw/zinc/08/26/24/434082624.db2.gz LJYZKCQMLDESHB-QYZOEREBSA-N 2 1 314.473 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340357863 434082634 /nfs/dbraw/zinc/08/26/34/434082634.db2.gz LJYZKCQMLDESHB-QYZOEREBSA-N 2 1 314.473 3.228 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422883234 434082894 /nfs/dbraw/zinc/08/28/94/434082894.db2.gz QEGDPABGHHYUIB-QRVBRYPASA-N 3 1 309.542 3.399 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[C@@H]1c1ccccc1 ZINC000340359467 434083391 /nfs/dbraw/zinc/08/33/91/434083391.db2.gz VAZMTNMYCONAEN-RCCFBDPRSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[C@@H]1c1ccccc1 ZINC000340359467 434083405 /nfs/dbraw/zinc/08/34/05/434083405.db2.gz VAZMTNMYCONAEN-RCCFBDPRSA-N 2 1 302.462 3.369 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363547519 434083480 /nfs/dbraw/zinc/08/34/80/434083480.db2.gz VTIIQXRYGOQHJK-JZXOWHBKSA-N 2 1 302.487 3.233 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363547518 434083823 /nfs/dbraw/zinc/08/38/23/434083823.db2.gz VTIIQXRYGOQHJK-BQFCYCMXSA-N 2 1 302.487 3.233 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422895876 434092687 /nfs/dbraw/zinc/09/26/87/434092687.db2.gz XCZKMTISTFIPKK-AUUYWEPGSA-N 2 1 318.509 3.010 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000340367966 434094235 /nfs/dbraw/zinc/09/42/35/434094235.db2.gz XQMCGHHFOLLVAY-KURKYZTESA-N 2 1 304.478 3.207 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000340367966 434094246 /nfs/dbraw/zinc/09/42/46/434094246.db2.gz XQMCGHHFOLLVAY-KURKYZTESA-N 2 1 304.478 3.207 20 0 DGADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000285718558 434050932 /nfs/dbraw/zinc/05/09/32/434050932.db2.gz WUISXHAUBHTIGK-YZGWKJHDSA-N 2 1 314.473 3.152 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000450243422 434051239 /nfs/dbraw/zinc/05/12/39/434051239.db2.gz RZZYUAVZIGSHKY-QGZVFWFLSA-N 2 1 321.534 3.129 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000450243422 434051248 /nfs/dbraw/zinc/05/12/48/434051248.db2.gz RZZYUAVZIGSHKY-QGZVFWFLSA-N 2 1 321.534 3.129 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852774 434054513 /nfs/dbraw/zinc/05/45/13/434054513.db2.gz BHHAEZAHFQKGBN-SQGPQFPESA-N 2 1 315.505 3.291 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317349 434057568 /nfs/dbraw/zinc/05/75/68/434057568.db2.gz PAWDRTJGVNYGIA-NCXUSEDFSA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317349 434057575 /nfs/dbraw/zinc/05/75/75/434057575.db2.gz PAWDRTJGVNYGIA-NCXUSEDFSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852776 434058596 /nfs/dbraw/zinc/05/85/96/434058596.db2.gz BHHAEZAHFQKGBN-ZWOKBUDYSA-N 2 1 315.505 3.291 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910223 434102323 /nfs/dbraw/zinc/10/23/23/434102323.db2.gz HQDSYWKQDKEDMI-MOPGFXCFSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000422912650 434106854 /nfs/dbraw/zinc/10/68/54/434106854.db2.gz WOQMCWYEWZHPHZ-KGLIPLIRSA-N 2 1 307.507 3.075 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000346094046 434111512 /nfs/dbraw/zinc/11/15/12/434111512.db2.gz YWDWTDHQLWQYGZ-CQSZACIVSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000346094046 434111521 /nfs/dbraw/zinc/11/15/21/434111521.db2.gz YWDWTDHQLWQYGZ-CQSZACIVSA-N 2 1 316.367 3.288 20 0 DGADMP Cc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310431352 434113621 /nfs/dbraw/zinc/11/36/21/434113621.db2.gz SSOPXGYBNJTLBW-RTBURBONSA-N 2 1 322.456 3.052 20 0 DGADMP Cc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310431352 434113634 /nfs/dbraw/zinc/11/36/34/434113634.db2.gz SSOPXGYBNJTLBW-RTBURBONSA-N 2 1 322.456 3.052 20 0 DGADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311701364 434115739 /nfs/dbraw/zinc/11/57/39/434115739.db2.gz MBZWMYLGVXWUOK-MCIONIFRSA-N 2 1 323.278 3.442 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000353415736 434119978 /nfs/dbraw/zinc/11/99/78/434119978.db2.gz IIODELBAEKHCHJ-UHFFFAOYSA-N 2 1 306.498 3.029 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)o2)cs1 ZINC000422938172 434121647 /nfs/dbraw/zinc/12/16/47/434121647.db2.gz GTHHCWSXDWSALQ-RISCZKNCSA-N 2 1 305.447 3.189 20 0 DGADMP C[C@H]1C[C@H](CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@@H](C)C1 ZINC000363615969 434101723 /nfs/dbraw/zinc/10/17/23/434101723.db2.gz WJCPCJBHQPXNPA-FUMNGEBKSA-N 2 1 321.553 3.161 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1c[nH+]ccc1N ZINC000422912245 434102089 /nfs/dbraw/zinc/10/20/89/434102089.db2.gz VPYNQXVTYLWWFK-DOTOQJQBSA-N 2 1 316.493 3.189 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC000503868846 294203444 /nfs/dbraw/zinc/20/34/44/294203444.db2.gz CANQRVHTBFPAGH-RXXJBJGQSA-N 2 1 320.452 3.399 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000340432242 434128324 /nfs/dbraw/zinc/12/83/24/434128324.db2.gz DXEJHNKVFXFFSY-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422945769 434129438 /nfs/dbraw/zinc/12/94/38/434129438.db2.gz NVGACFWHQKSAJX-QRWLVFNGSA-N 2 1 310.441 3.372 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507479975 294300910 /nfs/dbraw/zinc/30/09/10/294300910.db2.gz AAQYSDRLOYCGHA-WCIQWLHISA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H](C)C[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000509405941 294350375 /nfs/dbraw/zinc/35/03/75/294350375.db2.gz FJBTZVLUVNOOQY-KRWDZBQOSA-N 2 1 303.494 3.306 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000509737315 294363706 /nfs/dbraw/zinc/36/37/06/294363706.db2.gz WSEOXMRRADPQSZ-SSZFMOIBSA-N 2 1 314.473 3.453 20 0 DGADMP COC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340442416 434132213 /nfs/dbraw/zinc/13/22/13/434132213.db2.gz AKJXWXPLEBWDFG-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340442416 434132221 /nfs/dbraw/zinc/13/22/21/434132221.db2.gz AKJXWXPLEBWDFG-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000510697001 294389822 /nfs/dbraw/zinc/38/98/22/294389822.db2.gz BJVSULBZGMPPIG-KBPBESRZSA-N 2 1 308.416 3.360 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422947500 434133126 /nfs/dbraw/zinc/13/31/26/434133126.db2.gz QITUDNRXGSSSCV-HZMBPMFUSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@H]([NH2+]CCCOc1cccc2cccnc21)[C@H]1CCCC[NH2+]1 ZINC000422952231 434133660 /nfs/dbraw/zinc/13/36/60/434133660.db2.gz ANBMJKLGIXHAPZ-DOTOQJQBSA-N 2 1 313.445 3.124 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340443614 434134411 /nfs/dbraw/zinc/13/44/11/434134411.db2.gz YNZXMYCAXXDFKQ-APWZRJJASA-N 2 1 313.445 3.471 20 0 DGADMP FCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353454785 434143127 /nfs/dbraw/zinc/14/31/27/434143127.db2.gz LSSSUYIJBZFMKU-RBUKOAKNSA-N 2 1 320.452 3.137 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC000363785527 434143509 /nfs/dbraw/zinc/14/35/09/434143509.db2.gz FPUFDVOBIDBZQI-BEFAXECRSA-N 2 1 319.468 3.114 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422965535 434144828 /nfs/dbraw/zinc/14/48/28/434144828.db2.gz LIPVCIPBUCVOIG-XWSJACJDSA-N 2 1 302.462 3.130 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000340463762 434145036 /nfs/dbraw/zinc/14/50/36/434145036.db2.gz COGMBOYSADCHMC-IRXDYDNUSA-N 2 1 306.498 3.008 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000340463762 434145047 /nfs/dbraw/zinc/14/50/47/434145047.db2.gz COGMBOYSADCHMC-IRXDYDNUSA-N 2 1 306.498 3.008 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000422992181 434152868 /nfs/dbraw/zinc/15/28/68/434152868.db2.gz QVHCIZCXWKKMDO-WBVHZDCISA-N 2 1 318.461 3.248 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423000042 434157915 /nfs/dbraw/zinc/15/79/15/434157915.db2.gz ULQAEORLWLAAFT-AYOQOUSVSA-N 2 1 301.478 3.231 20 0 DGADMP CCc1ccc([C@H](CO)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000422997152 434159296 /nfs/dbraw/zinc/15/92/96/434159296.db2.gz AQUWJFKQHLKMJM-IPELMVKDSA-N 2 1 304.478 3.183 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353478654 434159298 /nfs/dbraw/zinc/15/92/98/434159298.db2.gz FQPJNWIOLFIHCP-FHERZECASA-N 2 1 322.497 3.368 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000353478654 434159306 /nfs/dbraw/zinc/15/93/06/434159306.db2.gz FQPJNWIOLFIHCP-FHERZECASA-N 2 1 322.497 3.368 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340497075 434162613 /nfs/dbraw/zinc/16/26/13/434162613.db2.gz GOCQSLVQTWRYBJ-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1Cl ZINC000423006466 434163111 /nfs/dbraw/zinc/16/31/11/434163111.db2.gz VILSLBPDIIUZAU-WMLDXEAASA-N 2 1 318.848 3.267 20 0 DGADMP C[C@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C1C[NH2+]C1 ZINC000423030282 434179196 /nfs/dbraw/zinc/17/91/96/434179196.db2.gz VYDWXRMVSQSBSD-UGSOOPFHSA-N 2 1 315.848 3.216 20 0 DGADMP CC[C@H](C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1)[NH+]1CCCC1 ZINC000513519890 294475858 /nfs/dbraw/zinc/47/58/58/294475858.db2.gz RNDVSNUMCZNOMO-QUCCMNQESA-N 2 1 316.489 3.480 20 0 DGADMP CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079410 434187672 /nfs/dbraw/zinc/18/76/72/434187672.db2.gz RAXMYQWNANXFJC-WDSOQIARSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079410 434187676 /nfs/dbraw/zinc/18/76/76/434187676.db2.gz RAXMYQWNANXFJC-WDSOQIARSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079410 434187685 /nfs/dbraw/zinc/18/76/85/434187685.db2.gz RAXMYQWNANXFJC-WDSOQIARSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079410 434187691 /nfs/dbraw/zinc/18/76/91/434187691.db2.gz RAXMYQWNANXFJC-WDSOQIARSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1c[nH+]ccc1N ZINC000423046708 434189907 /nfs/dbraw/zinc/18/99/07/434189907.db2.gz FCJNOUVCXRDPMY-GFCCVEGCSA-N 2 1 312.392 3.018 20 0 DGADMP Brc1cccc(C[C@@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423057223 434190827 /nfs/dbraw/zinc/19/08/27/434190827.db2.gz YUOYSYSSUXIMCJ-JKSUJKDBSA-N 2 1 323.278 3.112 20 0 DGADMP CCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450452572 434193243 /nfs/dbraw/zinc/19/32/43/434193243.db2.gz KBYWNFKTBGMYAT-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450452572 434193256 /nfs/dbraw/zinc/19/32/56/434193256.db2.gz KBYWNFKTBGMYAT-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450452572 434193260 /nfs/dbraw/zinc/19/32/60/434193260.db2.gz KBYWNFKTBGMYAT-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCO2 ZINC000423063980 434198119 /nfs/dbraw/zinc/19/81/19/434198119.db2.gz QFXMDASSZRMHBD-XLNGHYISSA-N 2 1 304.409 3.160 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000295112061 434205037 /nfs/dbraw/zinc/20/50/37/434205037.db2.gz XKPGITFFGKNDJY-XJKSGUPXSA-N 2 1 310.869 3.211 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000353543140 434212825 /nfs/dbraw/zinc/21/28/25/434212825.db2.gz FRJQCWZHGKZEDS-IEBWSBKVSA-N 2 1 318.509 3.296 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccn2)[C@H](C)C1 ZINC000286270869 434216662 /nfs/dbraw/zinc/21/66/62/434216662.db2.gz VIWPDVHHOKDDQI-SQNIBIBYSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccn2)[C@H](C)C1 ZINC000286270869 434216672 /nfs/dbraw/zinc/21/66/72/434216672.db2.gz VIWPDVHHOKDDQI-SQNIBIBYSA-N 2 1 319.493 3.178 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099983 434218496 /nfs/dbraw/zinc/21/84/96/434218496.db2.gz GBKZOZUOYDGXSV-BRWVUGGUSA-N 2 1 308.853 3.277 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138723 434244874 /nfs/dbraw/zinc/24/48/74/434244874.db2.gz JXGXKKRPWZOSEK-JENIJYKNSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423138723 434244882 /nfs/dbraw/zinc/24/48/82/434244882.db2.gz JXGXKKRPWZOSEK-JENIJYKNSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138723 434244888 /nfs/dbraw/zinc/24/48/88/434244888.db2.gz JXGXKKRPWZOSEK-JENIJYKNSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148679 434247191 /nfs/dbraw/zinc/24/71/91/434247191.db2.gz GJTUCOJQDANDDV-MJGOQNOKSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148679 434247202 /nfs/dbraw/zinc/24/72/02/434247202.db2.gz GJTUCOJQDANDDV-MJGOQNOKSA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423150969 434247392 /nfs/dbraw/zinc/24/73/92/434247392.db2.gz JLXGTDKINZDAHN-JKSUJKDBSA-N 2 1 314.477 3.170 20 0 DGADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000423156734 434251016 /nfs/dbraw/zinc/25/10/16/434251016.db2.gz UDPCQKMBJGMWLX-INIZCTEOSA-N 2 1 324.472 3.199 20 0 DGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423155055 434251139 /nfs/dbraw/zinc/25/11/39/434251139.db2.gz ISRGFHWHEQLDED-HZSPNIEDSA-N 2 1 313.367 3.111 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCC2 ZINC000423166085 434255935 /nfs/dbraw/zinc/25/59/35/434255935.db2.gz CEQCMMUIXGUIDG-ZJPYXAASSA-N 2 1 300.446 3.027 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379652679 434257032 /nfs/dbraw/zinc/25/70/32/434257032.db2.gz XRHDEUHESJFURQ-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379652679 434257042 /nfs/dbraw/zinc/25/70/42/434257042.db2.gz XRHDEUHESJFURQ-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636736 434257432 /nfs/dbraw/zinc/25/74/32/434257432.db2.gz XUQHBMATIUYVFQ-AFYVEPGGSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379636736 434257438 /nfs/dbraw/zinc/25/74/38/434257438.db2.gz XUQHBMATIUYVFQ-AFYVEPGGSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379625187 434258986 /nfs/dbraw/zinc/25/89/86/434258986.db2.gz FNDZVRUENDFUSN-VXIBKDFQSA-N 2 1 304.478 3.443 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000353597931 434259106 /nfs/dbraw/zinc/25/91/06/434259106.db2.gz VHYOCLYTXJPZIH-PGNDWZGLSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000353597931 434259115 /nfs/dbraw/zinc/25/91/15/434259115.db2.gz VHYOCLYTXJPZIH-PGNDWZGLSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000353597931 434259122 /nfs/dbraw/zinc/25/91/22/434259122.db2.gz VHYOCLYTXJPZIH-PGNDWZGLSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000353597931 434259131 /nfs/dbraw/zinc/25/91/31/434259131.db2.gz VHYOCLYTXJPZIH-PGNDWZGLSA-N 2 1 314.473 3.264 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000423167083 434260431 /nfs/dbraw/zinc/26/04/31/434260431.db2.gz WHLMTSLSLNXSRU-LDBRAYGESA-N 2 1 324.468 3.489 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000353597926 434261247 /nfs/dbraw/zinc/26/12/47/434261247.db2.gz VHYOCLYTXJPZIH-KEWOFRHOSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000353597926 434261254 /nfs/dbraw/zinc/26/12/54/434261254.db2.gz VHYOCLYTXJPZIH-KEWOFRHOSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000353597926 434261262 /nfs/dbraw/zinc/26/12/62/434261262.db2.gz VHYOCLYTXJPZIH-KEWOFRHOSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000353597926 434261269 /nfs/dbraw/zinc/26/12/69/434261269.db2.gz VHYOCLYTXJPZIH-KEWOFRHOSA-N 2 1 314.473 3.264 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(CO)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379644702 434261781 /nfs/dbraw/zinc/26/17/81/434261781.db2.gz GYGRCCVFMIOKKF-QGZVFWFLSA-N 2 1 312.457 3.179 20 0 DGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OC)c(OC)c1 ZINC000423176659 434264708 /nfs/dbraw/zinc/26/47/08/434264708.db2.gz HRJIXAIQHNQEGN-OAHLLOKOSA-N 2 1 306.450 3.406 20 0 DGADMP COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499630 434229577 /nfs/dbraw/zinc/22/95/77/434229577.db2.gz JHQFXRPWUKQNHE-HOCLYGCPSA-N 2 1 308.853 3.265 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000423123964 434232578 /nfs/dbraw/zinc/23/25/78/434232578.db2.gz NSODBQNISLGRIQ-SCTDSRPQSA-N 2 1 308.425 3.246 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423131655 434236551 /nfs/dbraw/zinc/23/65/51/434236551.db2.gz BHARRCGHCNZCTQ-MZGVZZPPSA-N 2 1 323.278 3.283 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000328376798 434284433 /nfs/dbraw/zinc/28/44/33/434284433.db2.gz KTGXTDJRXGPPII-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000340675437 434288766 /nfs/dbraw/zinc/28/87/66/434288766.db2.gz CXXZZGALSGMTHT-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2ccccc2)C2CC2)s1 ZINC000353633012 434289250 /nfs/dbraw/zinc/28/92/50/434289250.db2.gz RJCJGDPGFIEWAT-QGZVFWFLSA-N 2 1 315.486 3.488 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000450605011 434290117 /nfs/dbraw/zinc/29/01/17/434290117.db2.gz YCUOLAGWADXUDH-ZTFGCOKTSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000450605011 434290127 /nfs/dbraw/zinc/29/01/27/434290127.db2.gz YCUOLAGWADXUDH-ZTFGCOKTSA-N 2 1 322.880 3.332 20 0 DGADMP [NH3+]C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000423229854 434298837 /nfs/dbraw/zinc/29/88/37/434298837.db2.gz HYKSQHDNGCASSZ-ZYUSWAADSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+]C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000423229854 434298844 /nfs/dbraw/zinc/29/88/44/434298844.db2.gz HYKSQHDNGCASSZ-ZYUSWAADSA-N 2 1 313.489 3.042 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423276332 434333735 /nfs/dbraw/zinc/33/37/35/434333735.db2.gz OIULEZUMJWQNNH-KGLIPLIRSA-N 2 1 315.230 3.148 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000386130993 434308211 /nfs/dbraw/zinc/30/82/11/434308211.db2.gz VCHSPNANRPRQHM-AWEZNQCLSA-N 2 1 316.367 3.405 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@]1(C)CC[NH2+]C1 ZINC000340700333 434310568 /nfs/dbraw/zinc/31/05/68/434310568.db2.gz FOAIEGJCYMVZAL-IBGZPJMESA-N 2 1 313.445 3.206 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423275998 434334013 /nfs/dbraw/zinc/33/40/13/434334013.db2.gz NWLRQWNPEGOYBF-RISCZKNCSA-N 2 1 304.463 3.147 20 0 DGADMP CCC(=O)CCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000295329859 434313317 /nfs/dbraw/zinc/31/33/17/434313317.db2.gz OYPHOUYHDOOFQK-FQEVSTJZSA-N 2 1 314.473 3.344 20 0 DGADMP CCC(=O)CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295329859 434313325 /nfs/dbraw/zinc/31/33/25/434313325.db2.gz OYPHOUYHDOOFQK-FQEVSTJZSA-N 2 1 314.473 3.344 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423262941 434325561 /nfs/dbraw/zinc/32/55/61/434325561.db2.gz ABOILDAKUJDTFD-ZANVPECISA-N 2 1 303.219 3.222 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000358093574 434329138 /nfs/dbraw/zinc/32/91/38/434329138.db2.gz IOXSMMQGFKNHII-HNNXBMFYSA-N 2 1 305.466 3.157 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423269554 434329150 /nfs/dbraw/zinc/32/91/50/434329150.db2.gz HERWHSHLBMYSCH-GDBMZVCRSA-N 2 1 314.477 3.304 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000358093575 434330040 /nfs/dbraw/zinc/33/00/40/434330040.db2.gz IOXSMMQGFKNHII-OAHLLOKOSA-N 2 1 305.466 3.157 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c2ccccc21 ZINC000423268652 434330603 /nfs/dbraw/zinc/33/06/03/434330603.db2.gz UYOAGILHCMSGIC-OLMNPRSZSA-N 2 1 318.461 3.131 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584212 434361479 /nfs/dbraw/zinc/36/14/79/434361479.db2.gz QXDNPSYBBDUVHL-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584212 434361486 /nfs/dbraw/zinc/36/14/86/434361486.db2.gz QXDNPSYBBDUVHL-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000390552006 434361613 /nfs/dbraw/zinc/36/16/13/434361613.db2.gz YHICZXUIKTVBOV-DUXKGJEZSA-N 2 1 321.468 3.385 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390555797 434362527 /nfs/dbraw/zinc/36/25/27/434362527.db2.gz HFYLHHBIUPEKHI-RSPOEFSDSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390555797 434362539 /nfs/dbraw/zinc/36/25/39/434362539.db2.gz HFYLHHBIUPEKHI-RSPOEFSDSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423325617 434362629 /nfs/dbraw/zinc/36/26/29/434362629.db2.gz QIUXMFKESHUMTC-KBPBESRZSA-N 2 1 315.230 3.366 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423329536 434363421 /nfs/dbraw/zinc/36/34/21/434363421.db2.gz SXUVFHQCOJORAT-HUUCEWRRSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673763 434364780 /nfs/dbraw/zinc/36/47/80/434364780.db2.gz SUAGFZHREJEUMP-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673763 434364789 /nfs/dbraw/zinc/36/47/89/434364789.db2.gz SUAGFZHREJEUMP-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)CC[N@H+]1C ZINC000287466229 434366707 /nfs/dbraw/zinc/36/67/07/434366707.db2.gz MDYAZEQVFZTKHC-CJNGLKHVSA-N 2 1 305.853 3.367 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673764 434367076 /nfs/dbraw/zinc/36/70/76/434367076.db2.gz SUAGFZHREJEUMP-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673764 434367088 /nfs/dbraw/zinc/36/70/88/434367088.db2.gz SUAGFZHREJEUMP-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP CCOc1ccc([C@H](CC)[NH2+]C[C@H]([NH3+])C2CC2)cc1OCC ZINC000423333816 434371521 /nfs/dbraw/zinc/37/15/21/434371521.db2.gz WAVXBMNJGJTSQW-HOTGVXAUSA-N 2 1 306.450 3.262 20 0 DGADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390870980 434377154 /nfs/dbraw/zinc/37/71/54/434377154.db2.gz JNDHVRQRKHQSFH-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390870980 434377162 /nfs/dbraw/zinc/37/71/62/434377162.db2.gz JNDHVRQRKHQSFH-WMZOPIPTSA-N 2 1 304.478 3.038 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746740 434385870 /nfs/dbraw/zinc/38/58/70/434385870.db2.gz MZIRUEULLDMNCP-GOEBONIOSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746740 434385877 /nfs/dbraw/zinc/38/58/77/434385877.db2.gz MZIRUEULLDMNCP-GOEBONIOSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746740 434385884 /nfs/dbraw/zinc/38/58/84/434385884.db2.gz MZIRUEULLDMNCP-GOEBONIOSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746740 434385887 /nfs/dbraw/zinc/38/58/87/434385887.db2.gz MZIRUEULLDMNCP-GOEBONIOSA-N 2 1 306.450 3.008 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000423370475 434387291 /nfs/dbraw/zinc/38/72/91/434387291.db2.gz GTWBAKQALZNQRV-CQDKDKBSSA-N 2 1 316.367 3.123 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423276331 434335001 /nfs/dbraw/zinc/33/50/01/434335001.db2.gz OIULEZUMJWQNNH-KBPBESRZSA-N 2 1 315.230 3.148 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287335647 434335717 /nfs/dbraw/zinc/33/57/17/434335717.db2.gz GCWMAOQOUCUEMA-QAPCUYQASA-N 2 1 304.503 3.035 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423281444 434338699 /nfs/dbraw/zinc/33/86/99/434338699.db2.gz BIOYVEDIFLBDJF-HNNXBMFYSA-N 2 1 300.450 3.100 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000353745241 434390821 /nfs/dbraw/zinc/39/08/21/434390821.db2.gz IBZXOOCTZIXBOZ-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000353745241 434390834 /nfs/dbraw/zinc/39/08/34/434390834.db2.gz IBZXOOCTZIXBOZ-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)ccc1OC ZINC000353745241 434390846 /nfs/dbraw/zinc/39/08/46/434390846.db2.gz IBZXOOCTZIXBOZ-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1OC ZINC000353745241 434390856 /nfs/dbraw/zinc/39/08/56/434390856.db2.gz IBZXOOCTZIXBOZ-NVXWUHKLSA-N 2 1 320.477 3.399 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423288346 434343274 /nfs/dbraw/zinc/34/32/74/434343274.db2.gz RUBMKDACVHSTEY-DZGCQCFKSA-N 2 1 324.440 3.162 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423288622 434344495 /nfs/dbraw/zinc/34/44/95/434344495.db2.gz TZJVYYOLRJYFGB-LBPRGKRZSA-N 2 1 303.450 3.084 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000287383389 434347252 /nfs/dbraw/zinc/34/72/52/434347252.db2.gz IIUFGMKGLXTOKS-AHCXZYCDSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000287383389 434347258 /nfs/dbraw/zinc/34/72/58/434347258.db2.gz IIUFGMKGLXTOKS-AHCXZYCDSA-N 2 1 304.503 3.381 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423296337 434348592 /nfs/dbraw/zinc/34/85/92/434348592.db2.gz GQSPEFUSYLGQQM-ZTFGCOKTSA-N 2 1 308.441 3.401 20 0 DGADMP Cc1nc(C)c(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000340773553 434348730 /nfs/dbraw/zinc/34/87/30/434348730.db2.gz IQHVQNYGHPEGIV-MAUKXSAKSA-N 2 1 310.445 3.477 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423296334 434349341 /nfs/dbraw/zinc/34/93/41/434349341.db2.gz GQSPEFUSYLGQQM-BMGDILEWSA-N 2 1 308.441 3.401 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)sc1Br ZINC000423311258 434353367 /nfs/dbraw/zinc/35/33/67/434353367.db2.gz BNSBHPJTYZUHRZ-SCZZXKLOSA-N 2 1 303.269 3.207 20 0 DGADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000417320636 434354314 /nfs/dbraw/zinc/35/43/14/434354314.db2.gz KDZQJBSPPMRPAZ-MSOLQXFVSA-N 2 1 309.542 3.209 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423304949 434355727 /nfs/dbraw/zinc/35/57/27/434355727.db2.gz ZTBIHSOOQQWEMC-JSGCOSHPSA-N 2 1 303.450 3.084 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000423317891 434358058 /nfs/dbraw/zinc/35/80/58/434358058.db2.gz KUODDDFXTIYCAZ-HUUCEWRRSA-N 2 1 314.351 3.363 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)C1CC1 ZINC000423320758 434358293 /nfs/dbraw/zinc/35/82/93/434358293.db2.gz MPQCWPQZUQMXRJ-GWCFXTLKSA-N 2 1 315.280 3.289 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423322500 434358801 /nfs/dbraw/zinc/35/88/01/434358801.db2.gz HGMJOKUYZMMOEO-JKSUJKDBSA-N 2 1 317.477 3.091 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390570385 434359599 /nfs/dbraw/zinc/35/95/99/434359599.db2.gz BIOJTGIBMPORHL-FUHWJXTLSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390570385 434359605 /nfs/dbraw/zinc/35/96/05/434359605.db2.gz BIOJTGIBMPORHL-FUHWJXTLSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423324404 434359844 /nfs/dbraw/zinc/35/98/44/434359844.db2.gz PHJLLOCYVJXYGM-HZMBPMFUSA-N 2 1 300.418 3.432 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568276 434360580 /nfs/dbraw/zinc/36/05/80/434360580.db2.gz OBJLOIPZEJCPJN-QZTJIDSGSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568276 434360586 /nfs/dbraw/zinc/36/05/86/434360586.db2.gz OBJLOIPZEJCPJN-QZTJIDSGSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000423381800 434396871 /nfs/dbraw/zinc/39/68/71/434396871.db2.gz OPLWPYFKOKSHTJ-SCVCMEIPSA-N 2 1 302.340 3.218 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)C1 ZINC000438085512 434400237 /nfs/dbraw/zinc/40/02/37/434400237.db2.gz CGHDNDFYFXNWOP-XLIONFOSSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000287592896 434403821 /nfs/dbraw/zinc/40/38/21/434403821.db2.gz RQYLLPJCHUWZHO-ONCXSQPRSA-N 2 1 316.489 3.159 20 0 DGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423400147 434405489 /nfs/dbraw/zinc/40/54/89/434405489.db2.gz WSIMJRBVUOVPIJ-RYQLBKOJSA-N 2 1 301.478 3.476 20 0 DGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423400145 434407102 /nfs/dbraw/zinc/40/71/02/434407102.db2.gz WSIMJRBVUOVPIJ-KBAYOESNSA-N 2 1 301.478 3.476 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488693 434447987 /nfs/dbraw/zinc/44/79/87/434447987.db2.gz VNKHPFCDFWUZIF-MISYRCLQSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488693 434447997 /nfs/dbraw/zinc/44/79/97/434447997.db2.gz VNKHPFCDFWUZIF-MISYRCLQSA-N 3 1 315.505 3.019 20 0 DGADMP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC000423422104 434415492 /nfs/dbraw/zinc/41/54/92/434415492.db2.gz CSNZCRGUTQEVTL-JWOSDPRPSA-N 2 1 322.452 3.442 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772172 434422168 /nfs/dbraw/zinc/42/21/68/434422168.db2.gz ZLYWLQUIKRGTMO-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772172 434422175 /nfs/dbraw/zinc/42/21/75/434422175.db2.gz ZLYWLQUIKRGTMO-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772172 434422180 /nfs/dbraw/zinc/42/21/80/434422180.db2.gz ZLYWLQUIKRGTMO-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772172 434422187 /nfs/dbraw/zinc/42/21/87/434422187.db2.gz ZLYWLQUIKRGTMO-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOC1CCC1 ZINC000287665235 434424130 /nfs/dbraw/zinc/42/41/30/434424130.db2.gz HIQNPJLCFFMKMC-MRXNPFEDSA-N 2 1 313.445 3.378 20 0 DGADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423443188 434427180 /nfs/dbraw/zinc/42/71/80/434427180.db2.gz VMYMBTYGKFUPHC-GCVYGYKWSA-N 2 1 317.433 3.126 20 0 DGADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423443190 434427602 /nfs/dbraw/zinc/42/76/02/434427602.db2.gz VMYMBTYGKFUPHC-JWFUOXDNSA-N 2 1 317.433 3.126 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967689 434428882 /nfs/dbraw/zinc/42/88/82/434428882.db2.gz JZUAVCUPUFSZGL-ZWKOTPCHSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967689 434428897 /nfs/dbraw/zinc/42/88/97/434428897.db2.gz JZUAVCUPUFSZGL-ZWKOTPCHSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccc(-c2cnc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000366479476 434429153 /nfs/dbraw/zinc/42/91/53/434429153.db2.gz GUBNTQPPUSBRCR-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)C1 ZINC000295944750 434448647 /nfs/dbraw/zinc/44/86/47/434448647.db2.gz LBALRXGBNLJEPW-VQIMIIECSA-N 2 1 324.472 3.350 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)C1 ZINC000295944750 434448661 /nfs/dbraw/zinc/44/86/61/434448661.db2.gz LBALRXGBNLJEPW-VQIMIIECSA-N 2 1 324.472 3.350 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423455449 434434186 /nfs/dbraw/zinc/43/41/86/434434186.db2.gz CMDUTVFMDFZBNQ-IAGOWNOFSA-N 2 1 303.837 3.346 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)on2)cc1 ZINC000397394932 434436203 /nfs/dbraw/zinc/43/62/03/434436203.db2.gz FVHGFADTNVUMKZ-INMHGKMJSA-N 2 1 313.445 3.455 20 0 DGADMP Cn1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CCCCC2)n1 ZINC000359998770 434469795 /nfs/dbraw/zinc/46/97/95/434469795.db2.gz XMKUXLQGUMGIOX-QZTJIDSGSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C2CCCCC2)n1 ZINC000359998770 434469805 /nfs/dbraw/zinc/46/98/05/434469805.db2.gz XMKUXLQGUMGIOX-QZTJIDSGSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CCCCC2)n1 ZINC000359998770 434469813 /nfs/dbraw/zinc/46/98/13/434469813.db2.gz XMKUXLQGUMGIOX-QZTJIDSGSA-N 2 1 316.493 3.184 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)C1CC1 ZINC000360021203 434477242 /nfs/dbraw/zinc/47/72/42/434477242.db2.gz DWJGHYLPKBXPRQ-HXUWFJFHSA-N 2 1 315.505 3.102 20 0 DGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423534154 434481166 /nfs/dbraw/zinc/48/11/66/434481166.db2.gz VJDPQWKENAPENB-FXUDXRNXSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000296031301 434481573 /nfs/dbraw/zinc/48/15/73/434481573.db2.gz QDMFNEXILRKFBI-LPHOPBHVSA-N 2 1 324.472 3.492 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000296031301 434481582 /nfs/dbraw/zinc/48/15/82/434481582.db2.gz QDMFNEXILRKFBI-LPHOPBHVSA-N 2 1 324.472 3.492 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423547754 434483809 /nfs/dbraw/zinc/48/38/09/434483809.db2.gz QDLFKMFIGIKPAU-UDTPNQRGSA-N 3 1 324.472 3.219 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423490732 434453336 /nfs/dbraw/zinc/45/33/36/434453336.db2.gz YEEQQDKUCJLBKO-DFQSSKMNSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423490732 434453350 /nfs/dbraw/zinc/45/33/50/434453350.db2.gz YEEQQDKUCJLBKO-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000398148524 434456011 /nfs/dbraw/zinc/45/60/11/434456011.db2.gz OQAOLHIWWOVRDF-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000398148526 434457031 /nfs/dbraw/zinc/45/70/31/434457031.db2.gz OQAOLHIWWOVRDF-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000348710617 434457287 /nfs/dbraw/zinc/45/72/87/434457287.db2.gz OXSIDDXBGKNTST-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000348710617 434457306 /nfs/dbraw/zinc/45/73/06/434457306.db2.gz OXSIDDXBGKNTST-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@H]1CCCOC1 ZINC000348710617 434457314 /nfs/dbraw/zinc/45/73/14/434457314.db2.gz OXSIDDXBGKNTST-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@H]1CCCOC1 ZINC000348710617 434457321 /nfs/dbraw/zinc/45/73/21/434457321.db2.gz OXSIDDXBGKNTST-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000398108211 434457924 /nfs/dbraw/zinc/45/79/24/434457924.db2.gz CCNRBPZXIUJLBC-NXHRZFHOSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000398108211 434457937 /nfs/dbraw/zinc/45/79/37/434457937.db2.gz CCNRBPZXIUJLBC-NXHRZFHOSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493086 434515758 /nfs/dbraw/zinc/51/57/58/434515758.db2.gz XKRNYYHDZRSBEB-KRWDZBQOSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493086 434515779 /nfs/dbraw/zinc/51/57/79/434515779.db2.gz XKRNYYHDZRSBEB-KRWDZBQOSA-N 2 1 315.486 3.453 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834056 434517129 /nfs/dbraw/zinc/51/71/29/434517129.db2.gz PGDUZTHAYVALEE-WBVHZDCISA-N 2 1 320.477 3.186 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834056 434517138 /nfs/dbraw/zinc/51/71/38/434517138.db2.gz PGDUZTHAYVALEE-WBVHZDCISA-N 2 1 320.477 3.186 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C2CCC2)CC1 ZINC000353913563 434522308 /nfs/dbraw/zinc/52/23/08/434522308.db2.gz JOVGBSADZKGPOX-QGZVFWFLSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417865654 434538741 /nfs/dbraw/zinc/53/87/41/434538741.db2.gz COOYKYTVFYIMDP-SFHVURJKSA-N 2 1 302.462 3.117 20 0 DGADMP CC[N@H+]1C[C@H](NCc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000438905622 434541507 /nfs/dbraw/zinc/54/15/07/434541507.db2.gz RCLFMGPVEPFZJS-WFASDCNBSA-N 2 1 311.267 3.187 20 0 DGADMP CC[N@@H+]1C[C@H](NCc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000438905622 434541511 /nfs/dbraw/zinc/54/15/11/434541511.db2.gz RCLFMGPVEPFZJS-WFASDCNBSA-N 2 1 311.267 3.187 20 0 DGADMP C[C@H](C1CCC1)[NH+](C)CC1(C[N@H+](C)[C@@H](C)C2CCC2)COC1 ZINC000360211396 434548903 /nfs/dbraw/zinc/54/89/03/434548903.db2.gz DBOCBHHUPPKFJM-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H](C1CCC1)[N@@H+](C)CC1(C[NH+](C)[C@@H](C)C2CCC2)COC1 ZINC000360211396 434548910 /nfs/dbraw/zinc/54/89/10/434548910.db2.gz DBOCBHHUPPKFJM-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H](C1CCC1)[N@H+](C)CC1(C[NH+](C)[C@@H](C)C2CCC2)COC1 ZINC000360211396 434548917 /nfs/dbraw/zinc/54/89/17/434548917.db2.gz DBOCBHHUPPKFJM-IYBDPMFKSA-N 2 1 308.510 3.244 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000451058439 434549327 /nfs/dbraw/zinc/54/93/27/434549327.db2.gz VOWSIHJZRSSLTJ-MJGOQNOKSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000451058439 434549333 /nfs/dbraw/zinc/54/93/33/434549333.db2.gz VOWSIHJZRSSLTJ-MJGOQNOKSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000451058439 434549339 /nfs/dbraw/zinc/54/93/39/434549339.db2.gz VOWSIHJZRSSLTJ-MJGOQNOKSA-N 2 1 307.526 3.056 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232440 434552623 /nfs/dbraw/zinc/55/26/23/434552623.db2.gz AJDDTUOJZUHBEQ-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232440 434552629 /nfs/dbraw/zinc/55/26/29/434552629.db2.gz AJDDTUOJZUHBEQ-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232440 434552633 /nfs/dbraw/zinc/55/26/33/434552633.db2.gz AJDDTUOJZUHBEQ-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000525857279 295038380 /nfs/dbraw/zinc/03/83/80/295038380.db2.gz VPZAUERVHOPIEX-OALUTQOASA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000525857280 295038752 /nfs/dbraw/zinc/03/87/52/295038752.db2.gz VPZAUERVHOPIEX-RBUKOAKNSA-N 2 1 304.478 3.159 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H]1SC ZINC000459384423 434574113 /nfs/dbraw/zinc/57/41/13/434574113.db2.gz WAFAMUPPYOYMDD-BBWFWOEESA-N 2 1 314.539 3.140 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@@H](C)C1 ZINC000527996261 295162247 /nfs/dbraw/zinc/16/22/47/295162247.db2.gz PBIQBUPTZBLMSC-UGSOOPFHSA-N 2 1 317.452 3.478 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527996357 295162260 /nfs/dbraw/zinc/16/22/60/295162260.db2.gz QNHSMBMIQQRLIJ-UHFFFAOYSA-N 2 1 315.436 3.374 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392244 295207003 /nfs/dbraw/zinc/20/70/03/295207003.db2.gz BYCAPZFPZVZOKG-IBGZPJMESA-N 2 1 322.468 3.189 20 0 DGADMP CO[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000528506619 295220395 /nfs/dbraw/zinc/22/03/95/295220395.db2.gz RJGVIFCTIYKXPK-WFFDWFOESA-N 2 1 306.425 3.070 20 0 DGADMP CO[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(F)cc1 ZINC000528506619 295220396 /nfs/dbraw/zinc/22/03/96/295220396.db2.gz RJGVIFCTIYKXPK-WFFDWFOESA-N 2 1 306.425 3.070 20 0 DGADMP CO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(F)cc1 ZINC000528506619 295220397 /nfs/dbraw/zinc/22/03/97/295220397.db2.gz RJGVIFCTIYKXPK-WFFDWFOESA-N 2 1 306.425 3.070 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528574867 295227942 /nfs/dbraw/zinc/22/79/42/295227942.db2.gz SHILTUQKAZUZFN-INIZCTEOSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415034693 295234744 /nfs/dbraw/zinc/23/47/44/295234744.db2.gz CXCAVQIRFAGQJL-HHXXYDBFSA-N 2 1 302.462 3.263 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500490 295238675 /nfs/dbraw/zinc/23/86/75/295238675.db2.gz KIBVGZPTZLSVHT-XJKSGUPXSA-N 2 1 306.450 3.180 20 0 DGADMP COC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000459570492 434612559 /nfs/dbraw/zinc/61/25/59/434612559.db2.gz DKQBHPVUPADLTK-OAHLLOKOSA-N 2 1 322.880 3.286 20 0 DGADMP COC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000459570491 434614374 /nfs/dbraw/zinc/61/43/74/434614374.db2.gz DKQBHPVUPADLTK-HNNXBMFYSA-N 2 1 322.880 3.286 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncn1C(C)C ZINC000424148989 434637337 /nfs/dbraw/zinc/63/73/37/434637337.db2.gz VPKRACUGVVPXHJ-AEFFLSMTSA-N 2 1 306.498 3.454 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360568076 434639727 /nfs/dbraw/zinc/63/97/27/434639727.db2.gz JCGSXDGYCZZMQU-IBGZPJMESA-N 2 1 309.413 3.059 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360568076 434639733 /nfs/dbraw/zinc/63/97/33/434639733.db2.gz JCGSXDGYCZZMQU-IBGZPJMESA-N 2 1 309.413 3.059 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000354078178 434606273 /nfs/dbraw/zinc/60/62/73/434606273.db2.gz OHEBNWQSLGLHLG-KRWDZBQOSA-N 2 1 310.869 3.273 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000424317168 434693902 /nfs/dbraw/zinc/69/39/02/434693902.db2.gz DQMBFWCGIBYIRG-GJZGRUSLSA-N 2 1 312.498 3.064 20 0 DGADMP Cn1c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nc2ccc(Cl)cc21 ZINC000459747054 434695008 /nfs/dbraw/zinc/69/50/08/434695008.db2.gz ZRNZQXWOFFQJRV-CYBMUJFWSA-N 2 1 320.868 3.048 20 0 DGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000360619667 434649870 /nfs/dbraw/zinc/64/98/70/434649870.db2.gz LTZPEXWEQYVZSR-FUHWJXTLSA-N 2 1 321.534 3.301 20 0 DGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000360619667 434649877 /nfs/dbraw/zinc/64/98/77/434649877.db2.gz LTZPEXWEQYVZSR-FUHWJXTLSA-N 2 1 321.534 3.301 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc2cccnc12 ZINC000354168446 434653235 /nfs/dbraw/zinc/65/32/35/434653235.db2.gz XSPBXSHLTIEDRD-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc2cccnc12 ZINC000354168446 434653237 /nfs/dbraw/zinc/65/32/37/434653237.db2.gz XSPBXSHLTIEDRD-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc2cccnc12 ZINC000354168446 434653246 /nfs/dbraw/zinc/65/32/46/434653246.db2.gz XSPBXSHLTIEDRD-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000354215347 434673017 /nfs/dbraw/zinc/67/30/17/434673017.db2.gz IAQNKWFEAWSIAG-LSDHHAIUSA-N 2 1 324.896 3.268 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(-c3cccs3)o1)CC[NH2+]CC2 ZINC000424285719 434678864 /nfs/dbraw/zinc/67/88/64/434678864.db2.gz GIDFMCWIXICACA-CYBMUJFWSA-N 2 1 317.458 3.367 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424294362 434680227 /nfs/dbraw/zinc/68/02/27/434680227.db2.gz QAXIGAWJOYNZHF-QGZVFWFLSA-N 2 1 302.462 3.146 20 0 DGADMP CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000459731278 434682926 /nfs/dbraw/zinc/68/29/26/434682926.db2.gz LEHJYCMXBGCASW-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459734357 434682944 /nfs/dbraw/zinc/68/29/44/434682944.db2.gz HBDMHHUBLIDNHS-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000459734088 434684650 /nfs/dbraw/zinc/68/46/50/434684650.db2.gz GSEKAWXMQAIHSJ-YJBOKZPZSA-N 2 1 304.503 3.339 20 0 DGADMP CCCCc1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424300526 434686108 /nfs/dbraw/zinc/68/61/08/434686108.db2.gz WOVWQAHZLSCXMG-AWEZNQCLSA-N 2 1 307.507 3.450 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOCC3CCC3)C2)CC1 ZINC000419182633 434744959 /nfs/dbraw/zinc/74/49/59/434744959.db2.gz CQKBCVKUUJQONK-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258446 434752736 /nfs/dbraw/zinc/75/27/36/434752736.db2.gz LWLDWHWIQKZNTG-YOFSQIOKSA-N 2 1 314.473 3.160 20 0 DGADMP C[N@@H+](CCn1cccn1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258448 434753251 /nfs/dbraw/zinc/75/32/51/434753251.db2.gz LWRUUXXIXNTWTO-UHFFFAOYSA-N 2 1 312.461 3.001 20 0 DGADMP CCN(C)[C@@H](c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424351179 434707939 /nfs/dbraw/zinc/70/79/39/434707939.db2.gz YHPHWOMBOPXBAI-OAHLLOKOSA-N 2 1 314.433 3.229 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000349410930 434711099 /nfs/dbraw/zinc/71/10/99/434711099.db2.gz VEGRGLCBNWANSU-UHFFFAOYSA-N 2 1 306.479 3.302 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000349410930 434711105 /nfs/dbraw/zinc/71/11/05/434711105.db2.gz VEGRGLCBNWANSU-UHFFFAOYSA-N 2 1 306.479 3.302 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424376946 434713037 /nfs/dbraw/zinc/71/30/37/434713037.db2.gz LLPRAMJIUNWOCQ-INIZCTEOSA-N 2 1 324.472 3.145 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424379334 434713294 /nfs/dbraw/zinc/71/32/94/434713294.db2.gz VJUFSZMRNCPKQG-OUUBHVDSSA-N 3 1 313.489 3.042 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)cc3c1OCC3)CC[NH2+]CC2 ZINC000424375114 434714440 /nfs/dbraw/zinc/71/44/40/434714440.db2.gz JKENAFXTGFUYAV-CYBMUJFWSA-N 2 1 320.864 3.239 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424376949 434715025 /nfs/dbraw/zinc/71/50/25/434715025.db2.gz LLPRAMJIUNWOCQ-MRXNPFEDSA-N 2 1 324.472 3.145 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000424384806 434715841 /nfs/dbraw/zinc/71/58/41/434715841.db2.gz VQIWZLYCNJGAKS-VXGBXAGGSA-N 2 1 304.768 3.301 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCSCc1ccccc1)CC[NH2+]CC2 ZINC000424387966 434716594 /nfs/dbraw/zinc/71/65/94/434716594.db2.gz YSFZVFJXRFHSOM-MRXNPFEDSA-N 2 1 304.503 3.384 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2C(C)C)c1 ZINC000354333502 434728119 /nfs/dbraw/zinc/72/81/19/434728119.db2.gz ZFOMUAQHLYSXLB-UHFFFAOYSA-N 2 1 300.450 3.206 20 0 DGADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411141560 434729293 /nfs/dbraw/zinc/72/92/93/434729293.db2.gz FHRUILDVQWNJGG-SJORKVTESA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411141560 434729299 /nfs/dbraw/zinc/72/92/99/434729299.db2.gz FHRUILDVQWNJGG-SJORKVTESA-N 2 1 302.462 3.282 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000360933648 434737401 /nfs/dbraw/zinc/73/74/01/434737401.db2.gz SUWSZBOAVIVPFQ-IAQYHMDHSA-N 2 1 316.367 3.144 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOCC3CCC3)C2)CC1 ZINC000419182633 434744953 /nfs/dbraw/zinc/74/49/53/434744953.db2.gz CQKBCVKUUJQONK-IBGZPJMESA-N 2 1 308.510 3.247 20 0 DGADMP C[N@H+](CCc1cncs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411304288 434757233 /nfs/dbraw/zinc/75/72/33/434757233.db2.gz WKSJFAHQWSLLJU-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[N@@H+](CCc1cncs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411304288 434757238 /nfs/dbraw/zinc/75/72/38/434757238.db2.gz WKSJFAHQWSLLJU-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cncs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411304288 434757244 /nfs/dbraw/zinc/75/72/44/434757244.db2.gz WKSJFAHQWSLLJU-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cncs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411304288 434757247 /nfs/dbraw/zinc/75/72/47/434757247.db2.gz WKSJFAHQWSLLJU-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248616 434757591 /nfs/dbraw/zinc/75/75/91/434757591.db2.gz XVFXEZFWOFSHMT-NZSAHSFTSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248616 434757599 /nfs/dbraw/zinc/75/75/99/434757599.db2.gz XVFXEZFWOFSHMT-NZSAHSFTSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248616 434757606 /nfs/dbraw/zinc/75/76/06/434757606.db2.gz XVFXEZFWOFSHMT-NZSAHSFTSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248616 434757610 /nfs/dbraw/zinc/75/76/10/434757610.db2.gz XVFXEZFWOFSHMT-NZSAHSFTSA-N 2 1 304.478 3.396 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192590872 297145170 /nfs/dbraw/zinc/14/51/70/297145170.db2.gz FTKGZQVPTSTCCH-DLTWYDFYSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192590872 297145172 /nfs/dbraw/zinc/14/51/72/297145172.db2.gz FTKGZQVPTSTCCH-DLTWYDFYSA-N 2 1 308.491 3.146 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000442880604 434772860 /nfs/dbraw/zinc/77/28/60/434772860.db2.gz YVUCSBIWCDDNRO-CQSZACIVSA-N 2 1 309.523 3.042 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411398673 434773579 /nfs/dbraw/zinc/77/35/79/434773579.db2.gz JWWYREZWANEBAB-IBGZPJMESA-N 2 1 316.489 3.408 20 0 DGADMP C[C@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411427453 434778508 /nfs/dbraw/zinc/77/85/08/434778508.db2.gz OVRUYPFUEDRDBM-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453063826 434787685 /nfs/dbraw/zinc/78/76/85/434787685.db2.gz VVQJWLHXJZPPHF-ZCNNSNEGSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC2(O)CCC2)CC1)CC1CC1 ZINC000411434467 434782620 /nfs/dbraw/zinc/78/26/20/434782620.db2.gz VVDKRHGRDXCYKC-UHFFFAOYSA-N 2 1 308.510 3.126 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC1(O)CCC1 ZINC000411533692 434795724 /nfs/dbraw/zinc/79/57/24/434795724.db2.gz BUPMTKOMQDJDIA-DZFIZOCASA-N 2 1 316.489 3.038 20 0 DGADMP C([NH2+][C@H](C1CC1)C1CCCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000453089663 434796836 /nfs/dbraw/zinc/79/68/36/434796836.db2.gz BKASRKOCROUMRM-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+][C@@H](C)c1cncc(F)c1)c1cncc(F)c1 ZINC000361128820 434805410 /nfs/dbraw/zinc/80/54/10/434805410.db2.gz CWWUZLLRALUARY-STQMWFEESA-N 2 1 320.387 3.146 20 0 DGADMP OCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000411605621 434805954 /nfs/dbraw/zinc/80/59/54/434805954.db2.gz AQGNIQNYTBURGH-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP C=Cc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000361135682 434808211 /nfs/dbraw/zinc/80/82/11/434808211.db2.gz HTRWEYFAVONZFS-UHFFFAOYSA-N 2 1 301.459 3.180 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453137533 434813381 /nfs/dbraw/zinc/81/33/81/434813381.db2.gz GWHOSJMFNFIEHB-ZCNNSNEGSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453137533 434813384 /nfs/dbraw/zinc/81/33/84/434813384.db2.gz GWHOSJMFNFIEHB-ZCNNSNEGSA-N 2 1 324.472 3.251 20 0 DGADMP CC(C)C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000361176956 434822467 /nfs/dbraw/zinc/82/24/67/434822467.db2.gz YTVLSBKXDAUNQC-FQEVSTJZSA-N 2 1 317.521 3.391 20 0 DGADMP CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411745981 434824946 /nfs/dbraw/zinc/82/49/46/434824946.db2.gz NNNDKWLCFYVJBH-GOSISDBHSA-N 2 1 302.462 3.018 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1(CO)CCC1 ZINC000411759177 434826742 /nfs/dbraw/zinc/82/67/42/434826742.db2.gz PDDSUKOFILKKEL-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1SC ZINC000372560304 434840605 /nfs/dbraw/zinc/84/06/05/434840605.db2.gz RRZHWPOSFNFPSL-HUUCEWRRSA-N 2 1 306.475 3.134 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1SC ZINC000372560304 434840608 /nfs/dbraw/zinc/84/06/08/434840608.db2.gz RRZHWPOSFNFPSL-HUUCEWRRSA-N 2 1 306.475 3.134 20 0 DGADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)C[C@H]1c1ccccc1 ZINC000573127173 434876702 /nfs/dbraw/zinc/87/67/02/434876702.db2.gz VLUJZASYTBDFNL-UXHICEINSA-N 2 1 315.505 3.288 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000521222263 434877203 /nfs/dbraw/zinc/87/72/03/434877203.db2.gz QVZCBJZRLMZGHI-KRWDZBQOSA-N 2 1 309.542 3.494 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000573105325 434874131 /nfs/dbraw/zinc/87/41/31/434874131.db2.gz BDWOBLYWZFQRRI-BTHPGYMESA-N 3 1 315.505 3.147 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000554840054 434947430 /nfs/dbraw/zinc/94/74/30/434947430.db2.gz NZESPJWVVPNEDQ-LJQANCHMSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000554840054 434947435 /nfs/dbraw/zinc/94/74/35/434947435.db2.gz NZESPJWVVPNEDQ-LJQANCHMSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000554939395 434954838 /nfs/dbraw/zinc/95/48/38/434954838.db2.gz UBBIBYHBVBBWTO-UYAOXDASSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000554939395 434954841 /nfs/dbraw/zinc/95/48/41/434954841.db2.gz UBBIBYHBVBBWTO-UYAOXDASSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000554939395 434954845 /nfs/dbraw/zinc/95/48/45/434954845.db2.gz UBBIBYHBVBBWTO-UYAOXDASSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000554939395 434954847 /nfs/dbraw/zinc/95/48/47/434954847.db2.gz UBBIBYHBVBBWTO-UYAOXDASSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000554939395 434954850 /nfs/dbraw/zinc/95/48/50/434954850.db2.gz UBBIBYHBVBBWTO-UYAOXDASSA-N 2 1 318.505 3.093 20 0 DGADMP Cn1c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135713 434963525 /nfs/dbraw/zinc/96/35/25/434963525.db2.gz WFRXYSFAHNYRLL-KRWDZBQOSA-N 2 1 311.473 3.342 20 0 DGADMP Cn1c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135713 434963529 /nfs/dbraw/zinc/96/35/29/434963529.db2.gz WFRXYSFAHNYRLL-KRWDZBQOSA-N 2 1 311.473 3.342 20 0 DGADMP Cn1c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135713 434963533 /nfs/dbraw/zinc/96/35/33/434963533.db2.gz WFRXYSFAHNYRLL-KRWDZBQOSA-N 2 1 311.473 3.342 20 0 DGADMP Cn1c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135713 434963535 /nfs/dbraw/zinc/96/35/35/434963535.db2.gz WFRXYSFAHNYRLL-KRWDZBQOSA-N 2 1 311.473 3.342 20 0 DGADMP Cc1cccc(NC2CC[NH+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000573860305 434932467 /nfs/dbraw/zinc/93/24/67/434932467.db2.gz REBXTEMKYGZRDA-UHFFFAOYSA-N 2 1 312.461 3.238 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)OC ZINC000638377369 435017343 /nfs/dbraw/zinc/01/73/43/435017343.db2.gz IDCJUYKCJROYAS-IBGZPJMESA-N 2 1 304.478 3.364 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638376923 435017962 /nfs/dbraw/zinc/01/79/62/435017962.db2.gz FNHNDZZKBJGDIL-UHFFFAOYSA-N 2 1 324.472 3.149 20 0 DGADMP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638448870 435033781 /nfs/dbraw/zinc/03/37/81/435033781.db2.gz JVIBUGMDRVNBLE-HDYDNRTBSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408416 435024139 /nfs/dbraw/zinc/02/41/39/435024139.db2.gz HGOSZNDIYYYZQG-BJLQDIEVSA-N 2 1 313.489 3.038 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408416 435024141 /nfs/dbraw/zinc/02/41/41/435024141.db2.gz HGOSZNDIYYYZQG-BJLQDIEVSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408416 435024144 /nfs/dbraw/zinc/02/41/44/435024144.db2.gz HGOSZNDIYYYZQG-BJLQDIEVSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408416 435024145 /nfs/dbraw/zinc/02/41/45/435024145.db2.gz HGOSZNDIYYYZQG-BJLQDIEVSA-N 2 1 313.489 3.038 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000555534244 434977358 /nfs/dbraw/zinc/97/73/58/434977358.db2.gz QGTRHXCHUWEULQ-OKZBNKHCSA-N 2 1 324.509 3.208 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000574508495 434983086 /nfs/dbraw/zinc/98/30/86/434983086.db2.gz XALDNFALCJMFFF-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000574508495 434983089 /nfs/dbraw/zinc/98/30/89/434983089.db2.gz XALDNFALCJMFFF-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000574508495 434983093 /nfs/dbraw/zinc/98/30/93/434983093.db2.gz XALDNFALCJMFFF-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000574508496 434983695 /nfs/dbraw/zinc/98/36/95/434983695.db2.gz XALDNFALCJMFFF-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000574508496 434983700 /nfs/dbraw/zinc/98/37/00/434983700.db2.gz XALDNFALCJMFFF-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000574508496 434983702 /nfs/dbraw/zinc/98/37/02/434983702.db2.gz XALDNFALCJMFFF-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CCC3CCOCC3)C2)c1 ZINC000638447336 435032759 /nfs/dbraw/zinc/03/27/59/435032759.db2.gz IHKFOHLHGIDMBL-QGZVFWFLSA-N 2 1 322.518 3.366 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CCC3CCOCC3)C2)c1 ZINC000638447336 435032762 /nfs/dbraw/zinc/03/27/62/435032762.db2.gz IHKFOHLHGIDMBL-QGZVFWFLSA-N 2 1 322.518 3.366 20 0 DGADMP CC(C)[NH+](CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1)C(C)C ZINC000638279617 434995721 /nfs/dbraw/zinc/99/57/21/434995721.db2.gz PXRKDKRXRUUMPH-SFHVURJKSA-N 2 1 303.494 3.221 20 0 DGADMP Clc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000574691792 434996007 /nfs/dbraw/zinc/99/60/07/434996007.db2.gz RDQOQCXIPIXBGU-OKILXGFUSA-N 2 1 302.805 3.251 20 0 DGADMP Clc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000574691792 434996013 /nfs/dbraw/zinc/99/60/13/434996013.db2.gz RDQOQCXIPIXBGU-OKILXGFUSA-N 2 1 302.805 3.251 20 0 DGADMP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000556864212 435032906 /nfs/dbraw/zinc/03/29/06/435032906.db2.gz FJKRVWZLAFERPW-RTBURBONSA-N 2 1 302.462 3.043 20 0 DGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556857851 435032914 /nfs/dbraw/zinc/03/29/14/435032914.db2.gz IJFRKVGZKWOGSL-KGLIPLIRSA-N 2 1 308.416 3.360 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCCCF)CC2)C[C@H](C)O1 ZINC000556497146 435010727 /nfs/dbraw/zinc/01/07/27/435010727.db2.gz GDCCUFBAOIBYQW-CALCHBBNSA-N 2 1 314.489 3.338 20 0 DGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000530939913 435062731 /nfs/dbraw/zinc/06/27/31/435062731.db2.gz GZABKKMELOLZDE-HDICACEKSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638680043 435069469 /nfs/dbraw/zinc/06/94/69/435069469.db2.gz VDSRJQXWWPOVKP-DUPRYPCISA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638680043 435069472 /nfs/dbraw/zinc/06/94/72/435069472.db2.gz VDSRJQXWWPOVKP-DUPRYPCISA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H]1CCOC1 ZINC000638692640 435071081 /nfs/dbraw/zinc/07/10/81/435071081.db2.gz KMLKYDHEACSJAW-BOLBYERCSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H]1CCOC1 ZINC000638692640 435071086 /nfs/dbraw/zinc/07/10/86/435071086.db2.gz KMLKYDHEACSJAW-BOLBYERCSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638716449 435074074 /nfs/dbraw/zinc/07/40/74/435074074.db2.gz AWYXSKVBCYNCPL-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638716449 435074078 /nfs/dbraw/zinc/07/40/78/435074078.db2.gz AWYXSKVBCYNCPL-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000578334435 435077717 /nfs/dbraw/zinc/07/77/17/435077717.db2.gz OGIJFVOVSPYMJE-CRAIPNDOSA-N 2 1 318.461 3.341 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638791862 435089077 /nfs/dbraw/zinc/08/90/77/435089077.db2.gz WRHXUEMXXNVBSP-BJLQDIEVSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638791862 435089082 /nfs/dbraw/zinc/08/90/82/435089082.db2.gz WRHXUEMXXNVBSP-BJLQDIEVSA-N 2 1 314.473 3.105 20 0 DGADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000558419606 435089300 /nfs/dbraw/zinc/08/93/00/435089300.db2.gz RYRVIDSOGABLDQ-ROUUACIJSA-N 2 1 309.542 3.161 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)c1 ZINC000638448358 435034343 /nfs/dbraw/zinc/03/43/43/435034343.db2.gz TZXWABYFXLZTHF-JKSUJKDBSA-N 2 1 308.491 3.119 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)c1 ZINC000638448358 435034345 /nfs/dbraw/zinc/03/43/45/435034345.db2.gz TZXWABYFXLZTHF-JKSUJKDBSA-N 2 1 308.491 3.119 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000558422531 435089756 /nfs/dbraw/zinc/08/97/56/435089756.db2.gz SSVYLSRGEJYCRM-IBGZPJMESA-N 2 1 309.542 3.328 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000638521359 435046022 /nfs/dbraw/zinc/04/60/22/435046022.db2.gz IGODMKIHJQLUMY-LJQANCHMSA-N 2 1 318.530 3.284 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000578638653 435098653 /nfs/dbraw/zinc/09/86/53/435098653.db2.gz AHKISRNJAILFQQ-UHFFFAOYSA-N 3 1 320.525 3.187 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC(n2cccn2)C1 ZINC000638853700 435104346 /nfs/dbraw/zinc/10/43/46/435104346.db2.gz IODFDBUNNBLKOU-UHFFFAOYSA-N 2 1 312.461 3.217 20 0 DGADMP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)sn1 ZINC000638855060 435105661 /nfs/dbraw/zinc/10/56/61/435105661.db2.gz ZSCQHSWCUKDVDD-UHFFFAOYSA-N 2 1 319.474 3.282 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699722 435106158 /nfs/dbraw/zinc/10/61/58/435106158.db2.gz JUNMTYRDHOVAFW-NMLBUPMWSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699722 435106160 /nfs/dbraw/zinc/10/61/60/435106160.db2.gz JUNMTYRDHOVAFW-NMLBUPMWSA-N 2 1 316.489 3.474 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000578994819 435123105 /nfs/dbraw/zinc/12/31/05/435123105.db2.gz YZJPSQOFQXFUQR-IBGZPJMESA-N 2 1 322.452 3.330 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531972362 435130530 /nfs/dbraw/zinc/13/05/30/435130530.db2.gz JVTKAGZEQWDDIA-PMACEKPBSA-N 2 1 316.489 3.210 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000579108227 435131869 /nfs/dbraw/zinc/13/18/69/435131869.db2.gz IEKYCDKYTZFDIT-YESZJQIVSA-N 2 1 309.885 3.192 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559788960 435139572 /nfs/dbraw/zinc/13/95/72/435139572.db2.gz KMILBGXQTGCILA-LFEHRJTNSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559788960 435139576 /nfs/dbraw/zinc/13/95/76/435139576.db2.gz KMILBGXQTGCILA-LFEHRJTNSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178724 435186081 /nfs/dbraw/zinc/18/60/81/435186081.db2.gz NYGPIPDGHAQDKX-HZMBPMFUSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178724 435186083 /nfs/dbraw/zinc/18/60/83/435186083.db2.gz NYGPIPDGHAQDKX-HZMBPMFUSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178724 435186087 /nfs/dbraw/zinc/18/60/87/435186087.db2.gz NYGPIPDGHAQDKX-HZMBPMFUSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178724 435186089 /nfs/dbraw/zinc/18/60/89/435186089.db2.gz NYGPIPDGHAQDKX-HZMBPMFUSA-N 2 1 316.276 3.348 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639184322 435189095 /nfs/dbraw/zinc/18/90/95/435189095.db2.gz BVYJSHODBQDENO-NLWGTHIKSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639184322 435189098 /nfs/dbraw/zinc/18/90/98/435189098.db2.gz BVYJSHODBQDENO-NLWGTHIKSA-N 2 1 316.489 3.209 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1)CC1CC1 ZINC000475328261 435190717 /nfs/dbraw/zinc/19/07/17/435190717.db2.gz HJJAFWSTDKMXKI-VQIMIIECSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493900546 435191574 /nfs/dbraw/zinc/19/15/74/435191574.db2.gz MYBHBDAVRXKBIB-DUQPFJRNSA-N 2 1 320.521 3.290 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000639195284 435192905 /nfs/dbraw/zinc/19/29/05/435192905.db2.gz SJRTXMVNQGUYPJ-BHIYHBOVSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000639195284 435192907 /nfs/dbraw/zinc/19/29/07/435192907.db2.gz SJRTXMVNQGUYPJ-BHIYHBOVSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205401 435197057 /nfs/dbraw/zinc/19/70/57/435197057.db2.gz YYMWUTYIWOEMEA-MRXNPFEDSA-N 2 1 312.379 3.319 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639208819 435198375 /nfs/dbraw/zinc/19/83/75/435198375.db2.gz DSFFKUHRKVANQM-YZGWKJHDSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639208819 435198380 /nfs/dbraw/zinc/19/83/80/435198380.db2.gz DSFFKUHRKVANQM-YZGWKJHDSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222534 435203408 /nfs/dbraw/zinc/20/34/08/435203408.db2.gz LUXOYBGUAFMIMJ-KPFFTGBYSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222534 435203414 /nfs/dbraw/zinc/20/34/14/435203414.db2.gz LUXOYBGUAFMIMJ-KPFFTGBYSA-N 2 1 316.489 3.495 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019910 435204989 /nfs/dbraw/zinc/20/49/89/435204989.db2.gz FMJCZNKXMNITQD-CCLIWJKGSA-N 2 1 318.505 3.046 20 0 DGADMP C[C@@H]1CC[N@H+](CCN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240699 435152285 /nfs/dbraw/zinc/15/22/85/435152285.db2.gz OAEHNMSYQHSWHO-CZUORRHYSA-N 2 1 308.853 3.485 20 0 DGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240699 435152290 /nfs/dbraw/zinc/15/22/90/435152290.db2.gz OAEHNMSYQHSWHO-CZUORRHYSA-N 2 1 308.853 3.485 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000579411201 435152906 /nfs/dbraw/zinc/15/29/06/435152906.db2.gz JGKFYLCQVCEQHU-WMZOPIPTSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000579411201 435152909 /nfs/dbraw/zinc/15/29/09/435152909.db2.gz JGKFYLCQVCEQHU-WMZOPIPTSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000579411199 435153253 /nfs/dbraw/zinc/15/32/53/435153253.db2.gz JGKFYLCQVCEQHU-FUHWJXTLSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000579411199 435153256 /nfs/dbraw/zinc/15/32/56/435153256.db2.gz JGKFYLCQVCEQHU-FUHWJXTLSA-N 2 1 304.478 3.127 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@@H]([NH+](C)C)CC1)CC2 ZINC000639105115 435156478 /nfs/dbraw/zinc/15/64/78/435156478.db2.gz RQJCKFNPSVOMSR-WBVHZDCISA-N 2 1 318.461 3.107 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@@H]([NH+](C)C)CC1)CC2 ZINC000639105115 435156480 /nfs/dbraw/zinc/15/64/80/435156480.db2.gz RQJCKFNPSVOMSR-WBVHZDCISA-N 2 1 318.461 3.107 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000474725926 435159592 /nfs/dbraw/zinc/15/95/92/435159592.db2.gz ZMAKQCZIUVDLKN-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000579494579 435159968 /nfs/dbraw/zinc/15/99/68/435159968.db2.gz SMSDROSFWJSHOA-UFYCRDLUSA-N 2 1 317.521 3.347 20 0 DGADMP CC[C@@H](C)[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114702 435160749 /nfs/dbraw/zinc/16/07/49/435160749.db2.gz MLHSRVNTZTUPTM-CRAIPNDOSA-N 2 1 319.493 3.460 20 0 DGADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC000639118191 435162806 /nfs/dbraw/zinc/16/28/06/435162806.db2.gz OJVARPQPBVHBLO-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000579621965 435169810 /nfs/dbraw/zinc/16/98/10/435169810.db2.gz BQZJNCAJQSBATQ-UXHICEINSA-N 3 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000579621965 435169814 /nfs/dbraw/zinc/16/98/14/435169814.db2.gz BQZJNCAJQSBATQ-UXHICEINSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000579652332 435170970 /nfs/dbraw/zinc/17/09/70/435170970.db2.gz YERODYNZVPVZOY-IXDOHACOSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000579652332 435170975 /nfs/dbraw/zinc/17/09/75/435170975.db2.gz YERODYNZVPVZOY-IXDOHACOSA-N 2 1 306.498 3.156 20 0 DGADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161963 435178515 /nfs/dbraw/zinc/17/85/15/435178515.db2.gz JYAKDZYXXNZMSP-BLMTVLTRSA-N 2 1 313.489 3.070 20 0 DGADMP C[NH+](C[C@H]1CCN(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161963 435178519 /nfs/dbraw/zinc/17/85/19/435178519.db2.gz JYAKDZYXXNZMSP-BLMTVLTRSA-N 2 1 313.489 3.070 20 0 DGADMP C[NH+](C[C@H]1CCN(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161963 435178523 /nfs/dbraw/zinc/17/85/23/435178523.db2.gz JYAKDZYXXNZMSP-BLMTVLTRSA-N 2 1 313.489 3.070 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639235994 435208927 /nfs/dbraw/zinc/20/89/27/435208927.db2.gz WIKDDLNHLGMNSO-WDSOQIARSA-N 2 1 314.473 3.369 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639235994 435208928 /nfs/dbraw/zinc/20/89/28/435208928.db2.gz WIKDDLNHLGMNSO-WDSOQIARSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]CC2CCSCC2)[C@H](c2ccccc2)C1 ZINC000639285645 435227631 /nfs/dbraw/zinc/22/76/31/435227631.db2.gz HUYHLHJWZNZBHN-MSOLQXFVSA-N 2 1 304.503 3.065 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H](C)C2 ZINC000580427177 435233376 /nfs/dbraw/zinc/23/33/76/435233376.db2.gz HAJMZVZRZCILKT-SQGPQFPESA-N 2 1 316.489 3.319 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000580430759 435233521 /nfs/dbraw/zinc/23/35/21/435233521.db2.gz WJFYLMOOPDQKIQ-KRWDZBQOSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000580430759 435233524 /nfs/dbraw/zinc/23/35/24/435233524.db2.gz WJFYLMOOPDQKIQ-KRWDZBQOSA-N 2 1 320.477 3.435 20 0 DGADMP CCc1[nH+]c2ccccc2c(N[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000583831283 435245518 /nfs/dbraw/zinc/24/55/18/435245518.db2.gz UIQMJIPESQASIZ-AWEZNQCLSA-N 2 1 306.413 3.151 20 0 DGADMP C[NH+](C)CCOc1ccc(CNc2ccc3[nH]c[nH+]c3c2)cc1 ZINC000642797492 435252701 /nfs/dbraw/zinc/25/27/01/435252701.db2.gz ZZRREUQXCDQGMY-UHFFFAOYSA-N 2 1 310.401 3.115 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639347005 435254431 /nfs/dbraw/zinc/25/44/31/435254431.db2.gz KECLWCLRTXZTCP-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639347005 435254435 /nfs/dbraw/zinc/25/44/35/435254435.db2.gz KECLWCLRTXZTCP-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP COCC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000639360378 435264841 /nfs/dbraw/zinc/26/48/41/435264841.db2.gz WBQXEKHEWYTONG-PKOBYXMFSA-N 2 1 316.489 3.161 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639362880 435265896 /nfs/dbraw/zinc/26/58/96/435265896.db2.gz LLNWIKRHCDULAU-HBFSDRIKSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639362880 435265903 /nfs/dbraw/zinc/26/59/03/435265903.db2.gz LLNWIKRHCDULAU-HBFSDRIKSA-N 2 1 316.489 3.495 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](c4nccn4C)C3)o2)cc1 ZINC000534309397 435277848 /nfs/dbraw/zinc/27/78/48/435277848.db2.gz JEGHNKIARZLMPG-MRXNPFEDSA-N 2 1 322.412 3.373 20 0 DGADMP Cc1ccc(-c2cnc(CN3CC[C@@H](c4nccn4C)C3)o2)cc1 ZINC000534309397 435277852 /nfs/dbraw/zinc/27/78/52/435277852.db2.gz JEGHNKIARZLMPG-MRXNPFEDSA-N 2 1 322.412 3.373 20 0 DGADMP CC(C)O[C@@H](C[N@H+](C)[C@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396866 435283915 /nfs/dbraw/zinc/28/39/15/435283915.db2.gz KRTGYWCCMCEEKX-OALUTQOASA-N 2 1 302.462 3.179 20 0 DGADMP CC(C)O[C@@H](C[N@@H+](C)[C@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396866 435283920 /nfs/dbraw/zinc/28/39/20/435283920.db2.gz KRTGYWCCMCEEKX-OALUTQOASA-N 2 1 302.462 3.179 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCCC(C)C ZINC000567176083 435294666 /nfs/dbraw/zinc/29/46/66/435294666.db2.gz CZRGIWPGJUHRGN-DOTOQJQBSA-N 2 1 320.477 3.432 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCCC(C)C ZINC000567176083 435294671 /nfs/dbraw/zinc/29/46/71/435294671.db2.gz CZRGIWPGJUHRGN-DOTOQJQBSA-N 2 1 320.477 3.432 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639355749 435261623 /nfs/dbraw/zinc/26/16/23/435261623.db2.gz BUMGAUIGFKCPTE-UUXHPUJUSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639355749 435261628 /nfs/dbraw/zinc/26/16/28/435261628.db2.gz BUMGAUIGFKCPTE-UUXHPUJUSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000643456339 435327297 /nfs/dbraw/zinc/32/72/97/435327297.db2.gz QKQMGOWUZOZCBZ-HUUCEWRRSA-N 2 1 316.367 3.125 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000643463362 435330450 /nfs/dbraw/zinc/33/04/50/435330450.db2.gz MRDNNFSJVZOZHV-QZTJIDSGSA-N 2 1 316.493 3.212 20 0 DGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[NH2+]C(C)C)CCC2 ZINC000567639454 435337128 /nfs/dbraw/zinc/33/71/28/435337128.db2.gz PPIMXMJLMUOHNF-CQSZACIVSA-N 2 1 322.449 3.120 20 0 DGADMP CCOc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000643493827 435337414 /nfs/dbraw/zinc/33/74/14/435337414.db2.gz RCQVVRRWMFJYLF-HUUCEWRRSA-N 2 1 313.445 3.422 20 0 DGADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507378 435338910 /nfs/dbraw/zinc/33/89/10/435338910.db2.gz BGNUVECHVYVRTM-RBUKOAKNSA-N 2 1 302.462 3.452 20 0 DGADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507379 435338935 /nfs/dbraw/zinc/33/89/35/435338935.db2.gz BGNUVECHVYVRTM-RTBURBONSA-N 2 1 302.462 3.452 20 0 DGADMP CC(C)C1CCC(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000512031146 435342206 /nfs/dbraw/zinc/34/22/06/435342206.db2.gz NIHHNFZYVPJDSC-ACBHZAAOSA-N 2 1 310.526 3.275 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)ccc1F ZINC000643522780 435342242 /nfs/dbraw/zinc/34/22/42/435342242.db2.gz SKYBSPZTWZFWMH-ZYHUDNBSSA-N 2 1 315.230 3.381 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C)[NH3+])CCC3)cc1 ZINC000643526856 435343333 /nfs/dbraw/zinc/34/33/33/435343333.db2.gz ATVNWFNPOUXOGN-JSGCOSHPSA-N 2 1 301.459 3.433 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(N)ccc2O1 ZINC000643532784 435343392 /nfs/dbraw/zinc/34/33/92/435343392.db2.gz HVPUYAIRRLVDOA-VYDXJSESSA-N 2 1 315.461 3.087 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(N)ccc2O1 ZINC000643532784 435343396 /nfs/dbraw/zinc/34/33/96/435343396.db2.gz HVPUYAIRRLVDOA-VYDXJSESSA-N 2 1 315.461 3.087 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000643529048 435344297 /nfs/dbraw/zinc/34/42/97/435344297.db2.gz UAPATACZLOIWAX-ZWNOBZJWSA-N 2 1 305.422 3.263 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1N(C)C ZINC000643545875 435349552 /nfs/dbraw/zinc/34/95/52/435349552.db2.gz DTJWZCSPGUPSDC-ZFWWWQNUSA-N 2 1 305.441 3.217 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587572 435351988 /nfs/dbraw/zinc/35/19/88/435351988.db2.gz JSWUGARPPAAUGB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587572 435351991 /nfs/dbraw/zinc/35/19/91/435351991.db2.gz JSWUGARPPAAUGB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587572 435351995 /nfs/dbraw/zinc/35/19/95/435351995.db2.gz JSWUGARPPAAUGB-MLGOLLRUSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587571 435352035 /nfs/dbraw/zinc/35/20/35/435352035.db2.gz JSWUGARPPAAUGB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587571 435352038 /nfs/dbraw/zinc/35/20/38/435352038.db2.gz JSWUGARPPAAUGB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587571 435352043 /nfs/dbraw/zinc/35/20/43/435352043.db2.gz JSWUGARPPAAUGB-LRDDRELGSA-N 2 1 319.836 3.397 20 0 DGADMP CC[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000535806252 435352485 /nfs/dbraw/zinc/35/24/85/435352485.db2.gz MOSQRMATFSBQHK-VBSBHUPXSA-N 2 1 316.489 3.364 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548896 435352650 /nfs/dbraw/zinc/35/26/50/435352650.db2.gz XBUJLUZXBOTWSH-GOEBONIOSA-N 2 1 304.409 3.304 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)CC ZINC000567853799 435362635 /nfs/dbraw/zinc/36/26/35/435362635.db2.gz OPMBFGSXWKYOGK-QRVBRYPASA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)CC ZINC000567853799 435362641 /nfs/dbraw/zinc/36/26/41/435362641.db2.gz OPMBFGSXWKYOGK-QRVBRYPASA-N 2 1 316.489 3.323 20 0 DGADMP CC(C)(C[NH2+]Cc1cc(Cl)cc2c1OCC2)C[NH+]1CCCC1 ZINC000480936950 435401463 /nfs/dbraw/zinc/40/14/63/435401463.db2.gz RYTHBLFUKWIJDV-UHFFFAOYSA-N 2 1 322.880 3.487 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnc3ccccc23)C1 ZINC000536695618 435405045 /nfs/dbraw/zinc/40/50/45/435405045.db2.gz JOSXCSHEUCUWQH-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000536695618 435405051 /nfs/dbraw/zinc/40/50/51/435405051.db2.gz JOSXCSHEUCUWQH-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000536695618 435405056 /nfs/dbraw/zinc/40/50/56/435405056.db2.gz JOSXCSHEUCUWQH-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000481017475 435406795 /nfs/dbraw/zinc/40/67/95/435406795.db2.gz CYQQLTOGTQZLGF-VQIMIIECSA-N 2 1 304.478 3.137 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3C(F)(F)F)C2)CC1 ZINC000639758784 435409883 /nfs/dbraw/zinc/40/98/83/435409883.db2.gz WMPAQDOIQHOJNP-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758188 435409964 /nfs/dbraw/zinc/40/99/64/435409964.db2.gz QAUSBJJCSGRPMA-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758944 435410391 /nfs/dbraw/zinc/41/03/91/435410391.db2.gz YIHTVVTUUDAHLI-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237758 435411025 /nfs/dbraw/zinc/41/10/25/435411025.db2.gz FJKQXYDAPCQAQE-YOEHRIQHSA-N 2 1 317.433 3.436 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237758 435411028 /nfs/dbraw/zinc/41/10/28/435411028.db2.gz FJKQXYDAPCQAQE-YOEHRIQHSA-N 2 1 317.433 3.436 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568236301 435412397 /nfs/dbraw/zinc/41/23/97/435412397.db2.gz HHKRUOVNJJHDSW-HHXXYDBFSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568236301 435412402 /nfs/dbraw/zinc/41/24/02/435412402.db2.gz HHKRUOVNJJHDSW-HHXXYDBFSA-N 2 1 324.472 3.346 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2c(C)cccc2C)[C@H](C)C1 ZINC000536874941 435414925 /nfs/dbraw/zinc/41/49/25/435414925.db2.gz FRMWSPGNNLZCRE-QZTJIDSGSA-N 2 1 304.478 3.392 20 0 DGADMP C[C@H](Cc1ccsc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536858816 435417067 /nfs/dbraw/zinc/41/70/67/435417067.db2.gz QKKUKSYXVWBBSL-OAGGEKHMSA-N 2 1 310.507 3.158 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCOC2)CC1)CC(C)C ZINC000536888042 435418107 /nfs/dbraw/zinc/41/81/07/435418107.db2.gz LGAQCQRDNYTKGO-IBGZPJMESA-N 2 1 310.526 3.493 20 0 DGADMP Cc1nc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000568273460 435419437 /nfs/dbraw/zinc/41/94/37/435419437.db2.gz SAOBLRANDNZQFX-YOEHRIQHSA-N 2 1 318.490 3.261 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000639630250 435373321 /nfs/dbraw/zinc/37/33/21/435373321.db2.gz UGCNMPFAFYPYSL-YTQUADARSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000639630250 435373327 /nfs/dbraw/zinc/37/33/27/435373327.db2.gz UGCNMPFAFYPYSL-YTQUADARSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C)n1 ZINC000639650238 435380116 /nfs/dbraw/zinc/38/01/16/435380116.db2.gz TXBGITXOEIINNH-OAHLLOKOSA-N 2 1 304.825 3.304 20 0 DGADMP Cc1cc(C)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(C)n1 ZINC000639650238 435380121 /nfs/dbraw/zinc/38/01/21/435380121.db2.gz TXBGITXOEIINNH-OAHLLOKOSA-N 2 1 304.825 3.304 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375202 435387067 /nfs/dbraw/zinc/38/70/67/435387067.db2.gz ALNFWLOUUUYPTD-BEFAXECRSA-N 2 1 304.478 3.336 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375202 435387071 /nfs/dbraw/zinc/38/70/71/435387071.db2.gz ALNFWLOUUUYPTD-BEFAXECRSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513501623 435391924 /nfs/dbraw/zinc/39/19/24/435391924.db2.gz UOFUQUKEGGTFNY-PXNSSMCTSA-N 2 1 309.457 3.472 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682623 435392538 /nfs/dbraw/zinc/39/25/38/435392538.db2.gz ZZANXCWXCGBOTD-UHFFFAOYSA-N 2 1 303.356 3.072 20 0 DGADMP CCCc1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000481989018 435448446 /nfs/dbraw/zinc/44/84/46/435448446.db2.gz HSWXOWLUNMIMTL-FQEVSTJZSA-N 2 1 316.489 3.183 20 0 DGADMP COc1nc2ccccc2cc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000514971702 435450234 /nfs/dbraw/zinc/45/02/34/435450234.db2.gz CGBGPNKNYBZSJU-KBXCAEBGSA-N 2 1 313.445 3.015 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000514953372 435450971 /nfs/dbraw/zinc/45/09/71/435450971.db2.gz VJNHJZIRXYQEDN-YESZJQIVSA-N 2 1 321.534 3.381 20 0 DGADMP COc1nc2ccccc2cc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000514971704 435451123 /nfs/dbraw/zinc/45/11/23/435451123.db2.gz CGBGPNKNYBZSJU-KSSFIOAISA-N 2 1 313.445 3.015 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644547068 435453140 /nfs/dbraw/zinc/45/31/40/435453140.db2.gz IJHLZYSHBYMJGI-RXVVDRJESA-N 2 1 324.468 3.065 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644547068 435453141 /nfs/dbraw/zinc/45/31/41/435453141.db2.gz IJHLZYSHBYMJGI-RXVVDRJESA-N 2 1 324.468 3.065 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000482151879 435453907 /nfs/dbraw/zinc/45/39/07/435453907.db2.gz OYZBIULHXQMFRL-APWZRJJASA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000482151879 435453916 /nfs/dbraw/zinc/45/39/16/435453916.db2.gz OYZBIULHXQMFRL-APWZRJJASA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000482151879 435453926 /nfs/dbraw/zinc/45/39/26/435453926.db2.gz OYZBIULHXQMFRL-APWZRJJASA-N 2 1 316.489 3.359 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1c[nH+]ccc1N ZINC000568740641 435466724 /nfs/dbraw/zinc/46/67/24/435466724.db2.gz PWNUXFIBCDOIRR-PXAZEXFGSA-N 2 1 318.852 3.101 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537944799 435474663 /nfs/dbraw/zinc/47/46/63/435474663.db2.gz ODUTXRLIFQYQOP-BMFAXAFESA-N 2 1 304.478 3.300 20 0 DGADMP CC[C@H](COC)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537939912 435475040 /nfs/dbraw/zinc/47/50/40/435475040.db2.gz KZLYLAUPEJDYKJ-YTQUADARSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000482644524 435475939 /nfs/dbraw/zinc/47/59/39/435475939.db2.gz SNWLTEWNBJEZPU-VQIMIIECSA-N 2 1 304.478 3.194 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2C)[C@H](C)C1 ZINC000537957965 435476069 /nfs/dbraw/zinc/47/60/69/435476069.db2.gz AVZJHCRVRVUDMP-UYAOXDASSA-N 2 1 318.505 3.264 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000537983589 435477899 /nfs/dbraw/zinc/47/78/99/435477899.db2.gz QGDPASZKZWVCKG-MAUKXSAKSA-N 2 1 304.478 3.293 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000482686996 435478507 /nfs/dbraw/zinc/47/85/07/435478507.db2.gz XEZATWSHCUAURB-MOPGFXCFSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984409 435479357 /nfs/dbraw/zinc/47/93/57/435479357.db2.gz UUYUUGFVDFLUJE-PKOBYXMFSA-N 2 1 316.489 3.101 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000568445181 435435435 /nfs/dbraw/zinc/43/54/35/435435435.db2.gz QTABKGWVOPFSSW-DFQSSKMNSA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000568445181 435435440 /nfs/dbraw/zinc/43/54/40/435435440.db2.gz QTABKGWVOPFSSW-DFQSSKMNSA-N 2 1 318.505 3.141 20 0 DGADMP C[C@H]([NH2+]CCN1CCC2(CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000514854822 435443314 /nfs/dbraw/zinc/44/33/14/435443314.db2.gz UEHJXQHYKYVZCJ-ROUUACIJSA-N 2 1 307.526 3.010 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CO1 ZINC000514860483 435443909 /nfs/dbraw/zinc/44/39/09/435443909.db2.gz OLRGRTJIXACIKB-ZTRSQXPZSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC2CCCCC2)CC1 ZINC000483266946 435506484 /nfs/dbraw/zinc/50/64/84/435506484.db2.gz KPQKXUWQKGTUGO-KDURUIRLSA-N 2 1 321.553 3.447 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000515992695 435509207 /nfs/dbraw/zinc/50/92/07/435509207.db2.gz YPRDBOGCKPJIOC-YYIAUSFCSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000515992695 435509209 /nfs/dbraw/zinc/50/92/09/435509209.db2.gz YPRDBOGCKPJIOC-YYIAUSFCSA-N 2 1 312.498 3.064 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483464358 435520596 /nfs/dbraw/zinc/52/05/96/435520596.db2.gz DOFYCFZNWGOJKL-UYAOXDASSA-N 2 1 316.489 3.488 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000569291536 435520956 /nfs/dbraw/zinc/52/09/56/435520956.db2.gz HHBYRVYZGGPOLS-MJGOQNOKSA-N 2 1 322.468 3.093 20 0 DGADMP Cc1ccoc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000644840813 435526886 /nfs/dbraw/zinc/52/68/86/435526886.db2.gz IDCCRYJFAMCWHF-UHFFFAOYSA-N 2 1 302.418 3.160 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000516339608 435528686 /nfs/dbraw/zinc/52/86/86/435528686.db2.gz BAOYEZYYQOAZJZ-WMZOPIPTSA-N 2 1 310.526 3.370 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482872491 435485887 /nfs/dbraw/zinc/48/58/87/435485887.db2.gz ZGOOCHRVUPRUEU-NSISKUIASA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000482891045 435486222 /nfs/dbraw/zinc/48/62/22/435486222.db2.gz OCKIQWAOBAWQKA-NCXUSEDFSA-N 2 1 310.526 3.274 20 0 DGADMP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484910312 435556449 /nfs/dbraw/zinc/55/64/49/435556449.db2.gz XOHBFCHZXYIJKW-RCCFBDPRSA-N 2 1 322.880 3.019 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000484918256 435557057 /nfs/dbraw/zinc/55/70/57/435557057.db2.gz RKBLXIIYZJTOEW-CVEARBPZSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC000484986781 435558140 /nfs/dbraw/zinc/55/81/40/435558140.db2.gz IYUNBYLBGBIHEA-HOTGVXAUSA-N 2 1 304.478 3.422 20 0 DGADMP CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000569754737 435558920 /nfs/dbraw/zinc/55/89/20/435558920.db2.gz MYLCQYUOVSUWHY-IYWMVGAKSA-N 2 1 316.489 3.038 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)s1 ZINC000539851290 435576438 /nfs/dbraw/zinc/57/64/38/435576438.db2.gz XPWOGRBLUVWTMD-HNNXBMFYSA-N 2 1 310.507 3.243 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411051 435580285 /nfs/dbraw/zinc/58/02/85/435580285.db2.gz JKWNSQWFEFNGBM-ZIAGYGMSSA-N 2 1 301.459 3.085 20 0 DGADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000649508825 435612619 /nfs/dbraw/zinc/61/26/19/435612619.db2.gz GKWSKHOGTQDPJQ-GUDVDZBRSA-N 2 1 308.510 3.126 20 0 DGADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354141 435612897 /nfs/dbraw/zinc/61/28/97/435612897.db2.gz RBRYCPHBTBFYIR-PXNSSMCTSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354141 435612902 /nfs/dbraw/zinc/61/29/02/435612902.db2.gz RBRYCPHBTBFYIR-PXNSSMCTSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354141 435612908 /nfs/dbraw/zinc/61/29/08/435612908.db2.gz RBRYCPHBTBFYIR-PXNSSMCTSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354141 435612913 /nfs/dbraw/zinc/61/29/13/435612913.db2.gz RBRYCPHBTBFYIR-PXNSSMCTSA-N 2 1 312.457 3.289 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000570354141 435612918 /nfs/dbraw/zinc/61/29/18/435612918.db2.gz RBRYCPHBTBFYIR-PXNSSMCTSA-N 2 1 312.457 3.289 20 0 DGADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649548917 435622167 /nfs/dbraw/zinc/62/21/67/435622167.db2.gz LXRYBLDJRXLDKH-MISYRCLQSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649548917 435622169 /nfs/dbraw/zinc/62/21/69/435622169.db2.gz LXRYBLDJRXLDKH-MISYRCLQSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649548917 435622171 /nfs/dbraw/zinc/62/21/71/435622171.db2.gz LXRYBLDJRXLDKH-MISYRCLQSA-N 2 1 315.505 3.066 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000540982252 435632049 /nfs/dbraw/zinc/63/20/49/435632049.db2.gz RWVAFCSPZLRNKR-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000540982252 435632051 /nfs/dbraw/zinc/63/20/51/435632051.db2.gz RWVAFCSPZLRNKR-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000645397886 435635623 /nfs/dbraw/zinc/63/56/23/435635623.db2.gz HYZBGTLXXYLQJP-DFQSSKMNSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+][C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000540314963 435595840 /nfs/dbraw/zinc/59/58/40/435595840.db2.gz BDISJWGGVNESFL-KVPLUYHFSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)Oc1ccnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000649488323 435603079 /nfs/dbraw/zinc/60/30/79/435603079.db2.gz JVJIJSKJHFCSGD-UHFFFAOYSA-N 2 1 317.477 3.177 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000645415475 435640294 /nfs/dbraw/zinc/64/02/94/435640294.db2.gz ZRQCNVJXCFXUCU-WCIQWLHISA-N 2 1 316.489 3.473 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000645415475 435640297 /nfs/dbraw/zinc/64/02/97/435640297.db2.gz ZRQCNVJXCFXUCU-WCIQWLHISA-N 2 1 316.489 3.473 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000645415471 435640402 /nfs/dbraw/zinc/64/04/02/435640402.db2.gz ZRQCNVJXCFXUCU-FYQPLNBISA-N 2 1 316.489 3.473 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000645415471 435640405 /nfs/dbraw/zinc/64/04/05/435640405.db2.gz ZRQCNVJXCFXUCU-FYQPLNBISA-N 2 1 316.489 3.473 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Cl)c1 ZINC000570762424 435648865 /nfs/dbraw/zinc/64/88/65/435648865.db2.gz WQQJINGWRZFOIF-RHSMWYFYSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Cl)c1 ZINC000570762424 435648866 /nfs/dbraw/zinc/64/88/66/435648866.db2.gz WQQJINGWRZFOIF-RHSMWYFYSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Cl)c1 ZINC000570762424 435648867 /nfs/dbraw/zinc/64/88/67/435648867.db2.gz WQQJINGWRZFOIF-RHSMWYFYSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(Cl)c1 ZINC000570762424 435648869 /nfs/dbraw/zinc/64/88/69/435648869.db2.gz WQQJINGWRZFOIF-RHSMWYFYSA-N 2 1 308.853 3.265 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813522 435654105 /nfs/dbraw/zinc/65/41/05/435654105.db2.gz QJCOPQGYEBFVAH-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813522 435654109 /nfs/dbraw/zinc/65/41/09/435654109.db2.gz QJCOPQGYEBFVAH-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813522 435654116 /nfs/dbraw/zinc/65/41/16/435654116.db2.gz QJCOPQGYEBFVAH-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000570813522 435654119 /nfs/dbraw/zinc/65/41/19/435654119.db2.gz QJCOPQGYEBFVAH-QFBILLFUSA-N 2 1 304.478 3.305 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000649647477 435654811 /nfs/dbraw/zinc/65/48/11/435654811.db2.gz OLBSDKAFAPVUCO-UHFFFAOYSA-N 2 1 309.457 3.463 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571394870 435702955 /nfs/dbraw/zinc/70/29/55/435702955.db2.gz RQQUNTCNVGPCIW-VBQJREDUSA-N 2 1 309.885 3.192 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668427 435698232 /nfs/dbraw/zinc/69/82/32/435698232.db2.gz IUJXPKUGZJXNKG-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668427 435698233 /nfs/dbraw/zinc/69/82/33/435698233.db2.gz IUJXPKUGZJXNKG-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000519668427 435698236 /nfs/dbraw/zinc/69/82/36/435698236.db2.gz IUJXPKUGZJXNKG-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000519668427 435698237 /nfs/dbraw/zinc/69/82/37/435698237.db2.gz IUJXPKUGZJXNKG-ZBFHGGJFSA-N 2 1 323.278 3.365 20 0 DGADMP c1ccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2c1 ZINC000655699542 435733982 /nfs/dbraw/zinc/73/39/82/435733982.db2.gz CBJUBGYFIOBYFS-FQEVSTJZSA-N 2 1 310.441 3.183 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655704127 435737674 /nfs/dbraw/zinc/73/76/74/435737674.db2.gz QGZVCLBVRBUHTK-LJQANCHMSA-N 2 1 316.489 3.327 20 0 DGADMP c1ccc(CCCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655707820 435739649 /nfs/dbraw/zinc/73/96/49/435739649.db2.gz DSWYOLLYYMBGBP-FQEVSTJZSA-N 2 1 316.489 3.242 20 0 DGADMP Clc1cccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655724849 435751315 /nfs/dbraw/zinc/75/13/15/435751315.db2.gz IKVFWXVPZVCUDH-SFHVURJKSA-N 2 1 322.880 3.116 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000549236510 435751922 /nfs/dbraw/zinc/75/19/22/435751922.db2.gz BWEWECRLAQEPGU-DJIMGWMZSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000549236510 435751928 /nfs/dbraw/zinc/75/19/28/435751928.db2.gz BWEWECRLAQEPGU-DJIMGWMZSA-N 2 1 304.503 3.381 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000655730270 435753785 /nfs/dbraw/zinc/75/37/85/435753785.db2.gz QWWFJOXHIWSQOJ-QYZOEREBSA-N 2 1 306.494 3.188 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OCC ZINC000572158249 435789273 /nfs/dbraw/zinc/78/92/73/435789273.db2.gz HBODIZAOIZMHBO-KRWDZBQOSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OCC ZINC000572158249 435789280 /nfs/dbraw/zinc/78/92/80/435789280.db2.gz HBODIZAOIZMHBO-KRWDZBQOSA-N 2 1 320.477 3.435 20 0 DGADMP CCC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655774691 435789874 /nfs/dbraw/zinc/78/98/74/435789874.db2.gz ZWXQZCJFXXMDOS-ZIFCJYIRSA-N 2 1 308.510 3.436 20 0 DGADMP CCn1cc(C[NH2+]CCCn2cc[nH+]c2C)c(-c2ccccc2)n1 ZINC000641708500 435794481 /nfs/dbraw/zinc/79/44/81/435794481.db2.gz RWJXMFNBARSOTE-UHFFFAOYSA-N 2 1 323.444 3.255 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000655777847 435794499 /nfs/dbraw/zinc/79/44/99/435794499.db2.gz ZXLFAHLXQKYZCP-CYBMUJFWSA-N 2 1 320.868 3.121 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000655779539 435795125 /nfs/dbraw/zinc/79/51/25/435795125.db2.gz NGNJGNUVGNHMPY-DDBAPUKQSA-N 2 1 304.503 3.206 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000660539840 435795204 /nfs/dbraw/zinc/79/52/04/435795204.db2.gz OTPHMSFRWVQGOJ-NRFANRHFSA-N 2 1 321.468 3.367 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000660539840 435795210 /nfs/dbraw/zinc/79/52/10/435795210.db2.gz OTPHMSFRWVQGOJ-NRFANRHFSA-N 2 1 321.468 3.367 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000660539840 435795215 /nfs/dbraw/zinc/79/52/15/435795215.db2.gz OTPHMSFRWVQGOJ-NRFANRHFSA-N 2 1 321.468 3.367 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000641772733 435814567 /nfs/dbraw/zinc/81/45/67/435814567.db2.gz BCRHBNAPQPKFHN-UXHICEINSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000551014732 435815566 /nfs/dbraw/zinc/81/55/66/435815566.db2.gz PPFMBFZLXDLIQH-SLFFLAALSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000551014732 435815572 /nfs/dbraw/zinc/81/55/72/435815572.db2.gz PPFMBFZLXDLIQH-SLFFLAALSA-N 2 1 322.452 3.415 20 0 DGADMP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000651758828 435818236 /nfs/dbraw/zinc/81/82/36/435818236.db2.gz PGQXFSLJAHBBOU-XUVXKRRUSA-N 2 1 316.489 3.312 20 0 DGADMP c1ccc(CCCC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000660472886 435764778 /nfs/dbraw/zinc/76/47/78/435764778.db2.gz AUYYBIUKKZAGME-HXUWFJFHSA-N 2 1 316.489 3.196 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660473674 435766003 /nfs/dbraw/zinc/76/60/03/435766003.db2.gz SJQHVQCUDCXGAI-ZBFHGGJFSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473674 435766012 /nfs/dbraw/zinc/76/60/12/435766012.db2.gz SJQHVQCUDCXGAI-ZBFHGGJFSA-N 2 1 324.415 3.213 20 0 DGADMP Clc1ccccc1CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472206 435766434 /nfs/dbraw/zinc/76/64/34/435766434.db2.gz IDMBBSPFLGQYSI-KRWDZBQOSA-N 2 1 322.880 3.069 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551032568 435820909 /nfs/dbraw/zinc/82/09/09/435820909.db2.gz VXLUXKSEWAVKJF-YSIASYRMSA-N 2 1 318.505 3.456 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000549823273 435776788 /nfs/dbraw/zinc/77/67/88/435776788.db2.gz PLGVUHRYKNJJHT-BZSNNMDCSA-N 2 1 324.509 3.353 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000549823273 435776795 /nfs/dbraw/zinc/77/67/95/435776795.db2.gz PLGVUHRYKNJJHT-BZSNNMDCSA-N 2 1 324.509 3.353 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000549823284 435777617 /nfs/dbraw/zinc/77/76/17/435777617.db2.gz PLGVUHRYKNJJHT-KSZLIROESA-N 2 1 324.509 3.353 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000549823284 435777629 /nfs/dbraw/zinc/77/76/29/435777629.db2.gz PLGVUHRYKNJJHT-KSZLIROESA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551032568 435820911 /nfs/dbraw/zinc/82/09/11/435820911.db2.gz VXLUXKSEWAVKJF-YSIASYRMSA-N 2 1 318.505 3.456 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551052276 435821002 /nfs/dbraw/zinc/82/10/02/435821002.db2.gz ZFYKOZUYNCRVRK-GUDVDZBRSA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551052276 435821007 /nfs/dbraw/zinc/82/10/07/435821007.db2.gz ZFYKOZUYNCRVRK-GUDVDZBRSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000646106961 435782310 /nfs/dbraw/zinc/78/23/10/435782310.db2.gz ZNVOEJHQBNXUPI-HNNXBMFYSA-N 2 1 322.880 3.240 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3ccccc3c1)CCO2 ZINC000646102065 435782495 /nfs/dbraw/zinc/78/24/95/435782495.db2.gz CYWDZMPRMSABCS-UHFFFAOYSA-N 2 1 310.441 3.136 20 0 DGADMP c1ccc(C2CC(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655766590 435783270 /nfs/dbraw/zinc/78/32/70/435783270.db2.gz SBOQTVLVLLFQFJ-OUNSHVDWSA-N 2 1 314.473 3.023 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000655838744 435831262 /nfs/dbraw/zinc/83/12/62/435831262.db2.gz OSCUUIOUPDWQKZ-QGZVFWFLSA-N 2 1 309.457 3.267 20 0 DGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000641809930 435832230 /nfs/dbraw/zinc/83/22/30/435832230.db2.gz ZCBBILNMBUZONJ-ROUUACIJSA-N 2 1 323.440 3.154 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCOc1ccc(Cl)cc1)C2 ZINC000660653681 435843795 /nfs/dbraw/zinc/84/37/95/435843795.db2.gz CVQLKCAAPPAFLP-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000660653681 435843800 /nfs/dbraw/zinc/84/38/00/435843800.db2.gz CVQLKCAAPPAFLP-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000660653681 435843804 /nfs/dbraw/zinc/84/38/04/435843804.db2.gz CVQLKCAAPPAFLP-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP COc1ccc([C@@H](C)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660663584 435848175 /nfs/dbraw/zinc/84/81/75/435848175.db2.gz OHIVZROHFATIRW-LPHOPBHVSA-N 2 1 302.462 3.216 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCOCc1ccccc1)C2 ZINC000660662655 435848843 /nfs/dbraw/zinc/84/88/43/435848843.db2.gz KMYYQJFNQAZZPQ-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000651866152 435850743 /nfs/dbraw/zinc/85/07/43/435850743.db2.gz WXQJQRRMQJYGJQ-UHFFFAOYSA-N 2 1 318.490 3.273 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000651866152 435850746 /nfs/dbraw/zinc/85/07/46/435850746.db2.gz WXQJQRRMQJYGJQ-UHFFFAOYSA-N 2 1 318.490 3.273 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[N@H+](C)CC(C)C)cc1OC ZINC000651866141 435851705 /nfs/dbraw/zinc/85/17/05/435851705.db2.gz WOSFZYTUCBBDDJ-UHFFFAOYSA-N 2 1 308.466 3.080 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1OC ZINC000651866141 435851711 /nfs/dbraw/zinc/85/17/11/435851711.db2.gz WOSFZYTUCBBDDJ-UHFFFAOYSA-N 2 1 308.466 3.080 20 0 DGADMP CC1(C)CC[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)O1 ZINC000660674992 435853684 /nfs/dbraw/zinc/85/36/84/435853684.db2.gz FBZOTZOMROJUEF-SFHVURJKSA-N 2 1 302.462 3.198 20 0 DGADMP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000655938532 435864208 /nfs/dbraw/zinc/86/42/08/435864208.db2.gz XGUIPGSUJWNXBK-KBXCAEBGSA-N 2 1 308.416 3.361 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000655938532 435864212 /nfs/dbraw/zinc/86/42/12/435864212.db2.gz XGUIPGSUJWNXBK-KBXCAEBGSA-N 2 1 308.416 3.361 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000655937560 435865121 /nfs/dbraw/zinc/86/51/21/435865121.db2.gz AESWTJPFJUARMI-RYQLBKOJSA-N 2 1 302.462 3.378 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000552086460 435878874 /nfs/dbraw/zinc/87/88/74/435878874.db2.gz HVIOXDZTQSOWJA-LRDDRELGSA-N 2 1 312.404 3.052 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000551200385 435825548 /nfs/dbraw/zinc/82/55/48/435825548.db2.gz HGZSLVHAJHSBST-ZACQAIPSSA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000551200385 435825554 /nfs/dbraw/zinc/82/55/54/435825554.db2.gz HGZSLVHAJHSBST-ZACQAIPSSA-N 2 1 312.498 3.207 20 0 DGADMP c1ccc2c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)nsc2c1 ZINC000641799691 435826802 /nfs/dbraw/zinc/82/68/02/435826802.db2.gz PJCIWTYWKAHTTL-BBRMVZONSA-N 2 1 301.459 3.260 20 0 DGADMP c1ccc2c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)nsc2c1 ZINC000641799691 435826810 /nfs/dbraw/zinc/82/68/10/435826810.db2.gz PJCIWTYWKAHTTL-BBRMVZONSA-N 2 1 301.459 3.260 20 0 DGADMP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000651983279 435885332 /nfs/dbraw/zinc/88/53/32/435885332.db2.gz VRMVJEXVGYGYLC-QGZVFWFLSA-N 2 1 316.489 3.098 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1OC(F)F ZINC000665249087 435927857 /nfs/dbraw/zinc/92/78/57/435927857.db2.gz JMOLGKOCCRHLAL-LLVKDONJSA-N 2 1 314.376 3.219 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CCCC1 ZINC000665246603 435929180 /nfs/dbraw/zinc/92/91/80/435929180.db2.gz JMCWUSARZCVEEI-CQSZACIVSA-N 2 1 309.251 3.298 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000665255667 435931378 /nfs/dbraw/zinc/93/13/78/435931378.db2.gz YWUIZLYIVREJFU-WTWWFLFCSA-N 2 1 302.462 3.165 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@H]1CC[NH3+] ZINC000652356251 435958720 /nfs/dbraw/zinc/95/87/20/435958720.db2.gz YPDBHTNWIKUSLG-RISCZKNCSA-N 2 1 301.356 3.050 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCc2ccsc2)C1 ZINC000652363336 435958861 /nfs/dbraw/zinc/95/88/61/435958861.db2.gz BKLDZIZJFDFMAW-IKGGRYGDSA-N 2 1 308.491 3.042 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@H]1CC[NH3+] ZINC000652356005 435959757 /nfs/dbraw/zinc/95/97/57/435959757.db2.gz PWBMPOUSLFOCFD-BBRMVZONSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@H]1CC[NH3+] ZINC000652356005 435959762 /nfs/dbraw/zinc/95/97/62/435959762.db2.gz PWBMPOUSLFOCFD-BBRMVZONSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H](NCc1ccc2c(n1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534122 435966736 /nfs/dbraw/zinc/96/67/36/435966736.db2.gz AKCCHUWXIQZRHT-WBVHZDCISA-N 2 1 313.489 3.313 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000656534122 435966739 /nfs/dbraw/zinc/96/67/39/435966739.db2.gz AKCCHUWXIQZRHT-WBVHZDCISA-N 2 1 313.489 3.313 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534122 435966741 /nfs/dbraw/zinc/96/67/41/435966741.db2.gz AKCCHUWXIQZRHT-WBVHZDCISA-N 2 1 313.489 3.313 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000647200837 435972301 /nfs/dbraw/zinc/97/23/01/435972301.db2.gz IWZBSRIKFYQIGE-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000647200837 435972304 /nfs/dbraw/zinc/97/23/04/435972304.db2.gz IWZBSRIKFYQIGE-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000647200840 435972895 /nfs/dbraw/zinc/97/28/95/435972895.db2.gz IWZBSRIKFYQIGE-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000647200840 435972899 /nfs/dbraw/zinc/97/28/99/435972899.db2.gz IWZBSRIKFYQIGE-RTBURBONSA-N 2 1 314.473 3.200 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000647216470 435976373 /nfs/dbraw/zinc/97/63/73/435976373.db2.gz LOFMWJOYTAEWTG-UHFFFAOYSA-N 2 1 312.461 3.145 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000647244981 435989550 /nfs/dbraw/zinc/98/95/50/435989550.db2.gz MQSDXDVQAHLHBK-FXAWDEMLSA-N 2 1 318.505 3.080 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C3CC(OC(C)C)C3)C2)c1 ZINC000656441410 435949238 /nfs/dbraw/zinc/94/92/38/435949238.db2.gz HPERQTBIAFBWIM-KLAILNCOSA-N 2 1 303.450 3.080 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C3CC(OC(C)C)C3)C2)c1 ZINC000656441410 435949243 /nfs/dbraw/zinc/94/92/43/435949243.db2.gz HPERQTBIAFBWIM-KLAILNCOSA-N 2 1 303.450 3.080 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000650708163 435995333 /nfs/dbraw/zinc/99/53/33/435995333.db2.gz UQFHVUABHRCUSF-SZHHJMKWSA-N 2 1 318.436 3.057 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCc2ccccc2C1 ZINC000652338384 435953731 /nfs/dbraw/zinc/95/37/31/435953731.db2.gz ZUTMNNGQOIVCQI-NRFANRHFSA-N 2 1 306.453 3.322 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348135 435954184 /nfs/dbraw/zinc/95/41/84/435954184.db2.gz VLFSDYNFVHWAQO-MJXUCMMTSA-N 2 1 324.415 3.244 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@@H]1CC[NH3+] ZINC000650711058 435997600 /nfs/dbraw/zinc/99/76/00/435997600.db2.gz HIIARVDZFQJFEB-MAUKXSAKSA-N 2 1 310.445 3.093 20 0 DGADMP C[C@]1(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]C1 ZINC000650710299 435997900 /nfs/dbraw/zinc/99/79/00/435997900.db2.gz LMVGOCYVMHOTJH-SFHVURJKSA-N 2 1 315.392 3.102 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000650709241 435998220 /nfs/dbraw/zinc/99/82/20/435998220.db2.gz MBYANZCSEQHVHL-ICSRJNTNSA-N 2 1 307.441 3.309 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)[C@@H]1CC[NH3+] ZINC000650711332 435998760 /nfs/dbraw/zinc/99/87/60/435998760.db2.gz PYLPKWJTXRSZPB-BXUZGUMPSA-N 2 1 316.367 3.376 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)[C@@H]1CC[NH3+] ZINC000650711449 435999136 /nfs/dbraw/zinc/99/91/36/435999136.db2.gz UDAHQCLXDVTERI-CZUORRHYSA-N 2 1 316.474 3.154 20 0 DGADMP COc1ccc2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])sc2c1 ZINC000650712133 436001984 /nfs/dbraw/zinc/00/19/84/436001984.db2.gz RKBJLKAGXOOKOM-WFASDCNBSA-N 2 1 319.474 3.254 20 0 DGADMP COc1ccc2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])sc2c1 ZINC000650712133 436001987 /nfs/dbraw/zinc/00/19/87/436001987.db2.gz RKBJLKAGXOOKOM-WFASDCNBSA-N 2 1 319.474 3.254 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650722269 436007025 /nfs/dbraw/zinc/00/70/25/436007025.db2.gz OFEUNDIEPSMNHT-ZCNNSNEGSA-N 2 1 316.489 3.473 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650764117 436023452 /nfs/dbraw/zinc/02/34/52/436023452.db2.gz QOLYIOAOBMUQST-PXNSSMCTSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000650764117 436023458 /nfs/dbraw/zinc/02/34/58/436023458.db2.gz QOLYIOAOBMUQST-PXNSSMCTSA-N 3 1 315.505 3.019 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344024 436024365 /nfs/dbraw/zinc/02/43/65/436024365.db2.gz HVKIVHLKBZIGEN-ZGXWSNOMSA-N 2 1 316.489 3.127 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)CC2)[C@H](C)C1 ZINC000647349214 436027794 /nfs/dbraw/zinc/02/77/94/436027794.db2.gz DVFYRFOXOLJHHI-AQEOSJORSA-N 2 1 314.489 3.241 20 0 DGADMP c1cc2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc2cn1 ZINC000656783614 436043289 /nfs/dbraw/zinc/04/32/89/436043289.db2.gz RHWFUCMGAPZCMF-HXUWFJFHSA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccnc2c1 ZINC000656785117 436045561 /nfs/dbraw/zinc/04/55/61/436045561.db2.gz IVMOQLQCYPKQET-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCC(C)(C)C)cc1F ZINC000656790194 436046683 /nfs/dbraw/zinc/04/66/83/436046683.db2.gz QFNFXQNPNBDTDQ-HOCLYGCPSA-N 2 1 308.441 3.306 20 0 DGADMP CCCCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788340 436047813 /nfs/dbraw/zinc/04/78/13/436047813.db2.gz JXZVTJUPQAOHJY-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OC ZINC000656788646 436047945 /nfs/dbraw/zinc/04/79/45/436047945.db2.gz WGCDQXZPCGETNZ-CQSZACIVSA-N 2 1 306.450 3.234 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000650708565 435996550 /nfs/dbraw/zinc/99/65/50/435996550.db2.gz DTQNPUAABPIFOG-ZCNNSNEGSA-N 2 1 314.473 3.282 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480491 436059198 /nfs/dbraw/zinc/05/91/98/436059198.db2.gz PMDVFKYJBGDGNF-UKRRQHHQSA-N 2 1 316.474 3.102 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480491 436059203 /nfs/dbraw/zinc/05/92/03/436059203.db2.gz PMDVFKYJBGDGNF-UKRRQHHQSA-N 2 1 316.474 3.102 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479819 436060018 /nfs/dbraw/zinc/06/00/18/436060018.db2.gz VXAZBDDLXFDTFX-KSSFIOAISA-N 2 1 314.429 3.405 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479819 436060026 /nfs/dbraw/zinc/06/00/26/436060026.db2.gz VXAZBDDLXFDTFX-KSSFIOAISA-N 2 1 314.429 3.405 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480118 436060403 /nfs/dbraw/zinc/06/04/03/436060403.db2.gz BLVLBIBBIREKKU-PKOBYXMFSA-N 2 1 324.472 3.349 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647479503 436061137 /nfs/dbraw/zinc/06/11/37/436061137.db2.gz JRWIGZWAFWDUDF-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479817 436061523 /nfs/dbraw/zinc/06/15/23/436061523.db2.gz VXAZBDDLXFDTFX-KBXCAEBGSA-N 2 1 314.429 3.405 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479817 436061525 /nfs/dbraw/zinc/06/15/25/436061525.db2.gz VXAZBDDLXFDTFX-KBXCAEBGSA-N 2 1 314.429 3.405 20 0 DGADMP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480252 436061663 /nfs/dbraw/zinc/06/16/63/436061663.db2.gz HTBVEJCVOZGDTE-LWGXYICLSA-N 2 1 300.446 3.172 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480252 436061667 /nfs/dbraw/zinc/06/16/67/436061667.db2.gz HTBVEJCVOZGDTE-LWGXYICLSA-N 2 1 300.446 3.172 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647490823 436063386 /nfs/dbraw/zinc/06/33/86/436063386.db2.gz SPNOWXCNQDEDGP-QGZVFWFLSA-N 2 1 314.404 3.185 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498113 436065799 /nfs/dbraw/zinc/06/57/99/436065799.db2.gz ALAGDLOEASYWIA-HZPDHXFCSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498113 436065803 /nfs/dbraw/zinc/06/58/03/436065803.db2.gz ALAGDLOEASYWIA-HZPDHXFCSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647499044 436068201 /nfs/dbraw/zinc/06/82/01/436068201.db2.gz XSTIVHCCPOYJSI-DLBZAZTESA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647499044 436068204 /nfs/dbraw/zinc/06/82/04/436068204.db2.gz XSTIVHCCPOYJSI-DLBZAZTESA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647531685 436073015 /nfs/dbraw/zinc/07/30/15/436073015.db2.gz RSWCILRBZBGOPY-UHFFFAOYSA-N 2 1 306.450 3.187 20 0 DGADMP COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OCCC(C)C ZINC000647531463 436073902 /nfs/dbraw/zinc/07/39/02/436073902.db2.gz YHMYJOITFWOVHQ-UHFFFAOYSA-N 2 1 320.477 3.433 20 0 DGADMP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc2cnccc21 ZINC000647540201 436075232 /nfs/dbraw/zinc/07/52/32/436075232.db2.gz AHXVPVSUNXTOJZ-UHFFFAOYSA-N 2 1 305.425 3.238 20 0 DGADMP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc2cnccc21 ZINC000647540201 436075235 /nfs/dbraw/zinc/07/52/35/436075235.db2.gz AHXVPVSUNXTOJZ-UHFFFAOYSA-N 2 1 305.425 3.238 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC[NH2+]C1 ZINC000647537376 436075767 /nfs/dbraw/zinc/07/57/67/436075767.db2.gz XEPRLNAUVXIPRR-KBXCAEBGSA-N 2 1 315.486 3.475 20 0 DGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544091 436076975 /nfs/dbraw/zinc/07/69/75/436076975.db2.gz WODFFLAXHLTTTQ-ROUUACIJSA-N 2 1 309.457 3.446 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543389 436077072 /nfs/dbraw/zinc/07/70/72/436077072.db2.gz MGZBKCOWLAOMSB-MSOLQXFVSA-N 2 1 324.472 3.288 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647543112 436077363 /nfs/dbraw/zinc/07/73/63/436077363.db2.gz HTVYQNQFPCAEAZ-ZWKOTPCHSA-N 2 1 318.509 3.122 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543843 436078172 /nfs/dbraw/zinc/07/81/72/436078172.db2.gz STXOVNVNZLGHAE-HUUCEWRRSA-N 2 1 307.507 3.478 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543634 436079007 /nfs/dbraw/zinc/07/90/07/436079007.db2.gz QQPUJJPLHFROCR-OLZOCXBDSA-N 2 1 312.379 3.316 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543269 436079213 /nfs/dbraw/zinc/07/92/13/436079213.db2.gz KETJNHSQLKMPAH-MSOLQXFVSA-N 2 1 302.462 3.297 20 0 DGADMP Fc1ccc(C[N@H+]2CCCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000647851838 436134489 /nfs/dbraw/zinc/13/44/89/436134489.db2.gz PWXXRSUZJURILJ-UHFFFAOYSA-N 2 1 324.403 3.414 20 0 DGADMP c1cc2c(cc[nH+]c2NC[C@H](c2ccccc2)[NH+]2CCOCC2)[nH]1 ZINC000647854406 436134502 /nfs/dbraw/zinc/13/45/02/436134502.db2.gz PMJVORGIYNXCLM-GOSISDBHSA-N 2 1 322.412 3.048 20 0 DGADMP OCCC[N@@H+](C[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000647884080 436141366 /nfs/dbraw/zinc/14/13/66/436141366.db2.gz FQCGTZDBGIACHL-SFHVURJKSA-N 2 1 324.468 3.070 20 0 DGADMP Brc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647878456 436141480 /nfs/dbraw/zinc/14/14/80/436141480.db2.gz JKIOUCWDKSWQCW-DOMZBBRYSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647878456 436141483 /nfs/dbraw/zinc/14/14/83/436141483.db2.gz JKIOUCWDKSWQCW-DOMZBBRYSA-N 2 1 309.251 3.196 20 0 DGADMP OCC[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000647884861 436142345 /nfs/dbraw/zinc/14/23/45/436142345.db2.gz AJCKNRMDGFLYIC-FQEVSTJZSA-N 2 1 316.489 3.138 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657334973 436142768 /nfs/dbraw/zinc/14/27/68/436142768.db2.gz JAYWFWUDOPBOSJ-CQSZACIVSA-N 2 1 306.425 3.187 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657334973 436142775 /nfs/dbraw/zinc/14/27/75/436142775.db2.gz JAYWFWUDOPBOSJ-CQSZACIVSA-N 2 1 306.425 3.187 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000647886725 436143304 /nfs/dbraw/zinc/14/33/04/436143304.db2.gz OMAPMJLYCSFYGP-KXBFYZLASA-N 2 1 320.452 3.367 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](c1ccccc1)C2 ZINC000647890732 436143318 /nfs/dbraw/zinc/14/33/18/436143318.db2.gz LUIBIYLNFCIWMW-IERDGZPVSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](c1ccccc1)C2 ZINC000647890732 436143324 /nfs/dbraw/zinc/14/33/24/436143324.db2.gz LUIBIYLNFCIWMW-IERDGZPVSA-N 2 1 322.452 3.404 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000653279477 436152424 /nfs/dbraw/zinc/15/24/24/436152424.db2.gz GZJFBUIFWSKNHN-HOCLYGCPSA-N 2 1 306.450 3.186 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000653279477 436152429 /nfs/dbraw/zinc/15/24/29/436152429.db2.gz GZJFBUIFWSKNHN-HOCLYGCPSA-N 2 1 306.450 3.186 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1c(C2CCC2)cnn1C ZINC000657293291 436121152 /nfs/dbraw/zinc/12/11/52/436121152.db2.gz LETSLMWUQBIGKO-OAHLLOKOSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657293291 436121161 /nfs/dbraw/zinc/12/11/61/436121161.db2.gz LETSLMWUQBIGKO-OAHLLOKOSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657293291 436121165 /nfs/dbraw/zinc/12/11/65/436121165.db2.gz LETSLMWUQBIGKO-OAHLLOKOSA-N 2 1 304.482 3.042 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790371 436121283 /nfs/dbraw/zinc/12/12/83/436121283.db2.gz XBGYLVZXDJYZFQ-VAMGGRTRSA-N 3 1 315.505 3.005 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@H]1[NH3+] ZINC000647939857 436155531 /nfs/dbraw/zinc/15/55/31/436155531.db2.gz CPYMMFGVFNIJPY-SJLPKXTDSA-N 2 1 302.462 3.374 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC[C@H]1[NH3+] ZINC000647939857 436155534 /nfs/dbraw/zinc/15/55/34/436155534.db2.gz CPYMMFGVFNIJPY-SJLPKXTDSA-N 2 1 302.462 3.374 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968765 436165990 /nfs/dbraw/zinc/16/59/90/436165990.db2.gz WQTFHKJBKJNTMO-MRXNPFEDSA-N 2 1 324.468 3.389 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968765 436165995 /nfs/dbraw/zinc/16/59/95/436165995.db2.gz WQTFHKJBKJNTMO-MRXNPFEDSA-N 2 1 324.468 3.389 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968765 436165999 /nfs/dbraw/zinc/16/59/99/436165999.db2.gz WQTFHKJBKJNTMO-MRXNPFEDSA-N 2 1 324.468 3.389 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968765 436166005 /nfs/dbraw/zinc/16/60/05/436166005.db2.gz WQTFHKJBKJNTMO-MRXNPFEDSA-N 2 1 324.468 3.389 20 0 DGADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975752 436166462 /nfs/dbraw/zinc/16/64/62/436166462.db2.gz FMZZWWRJDFVNGZ-XHSDSOJGSA-N 2 1 320.481 3.185 20 0 DGADMP CCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000657376706 436166570 /nfs/dbraw/zinc/16/65/70/436166570.db2.gz IPJALCXTPLWGNR-AYHJJNSGSA-N 2 1 302.462 3.499 20 0 DGADMP CCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(C)c1 ZINC000657374463 436166688 /nfs/dbraw/zinc/16/66/88/436166688.db2.gz LPSNVWMNYNZPIS-UHFFFAOYSA-N 2 1 301.434 3.469 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977664 436166942 /nfs/dbraw/zinc/16/69/42/436166942.db2.gz FWPUQSJPRDVRBT-RTBURBONSA-N 2 1 316.489 3.339 20 0 DGADMP c1ccc(CC[C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988742 436168709 /nfs/dbraw/zinc/16/87/09/436168709.db2.gz GIKGCMGKFJTLFF-HXUWFJFHSA-N 2 1 316.489 3.100 20 0 DGADMP Cc1cc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000647989140 436168806 /nfs/dbraw/zinc/16/88/06/436168806.db2.gz NUGUIYKTPAQWPX-IBGZPJMESA-N 2 1 320.452 3.287 20 0 DGADMP Cc1cc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000647989140 436168814 /nfs/dbraw/zinc/16/88/14/436168814.db2.gz NUGUIYKTPAQWPX-IBGZPJMESA-N 2 1 320.452 3.287 20 0 DGADMP CCc1ccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647990398 436169984 /nfs/dbraw/zinc/16/99/84/436169984.db2.gz XGKLIMDOGNWYJL-HXUWFJFHSA-N 2 1 316.489 3.402 20 0 DGADMP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657385670 436170525 /nfs/dbraw/zinc/17/05/25/436170525.db2.gz XAAGLGRGRPJBNR-UHFFFAOYSA-N 2 1 316.493 3.184 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657387555 436172086 /nfs/dbraw/zinc/17/20/86/436172086.db2.gz WYSJXXYTRNAPDQ-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657387555 436172091 /nfs/dbraw/zinc/17/20/91/436172091.db2.gz WYSJXXYTRNAPDQ-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)CC1CCOCC1 ZINC000647978531 436167801 /nfs/dbraw/zinc/16/78/01/436167801.db2.gz TZNPGPYMFNQKRC-RTBURBONSA-N 2 1 308.510 3.295 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000657526165 436234042 /nfs/dbraw/zinc/23/40/42/436234042.db2.gz BMXZKKLLGKGWLY-GOSISDBHSA-N 2 1 307.526 3.246 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000648035836 436188230 /nfs/dbraw/zinc/18/82/30/436188230.db2.gz SACSNYYBZJCZIV-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000648035836 436188236 /nfs/dbraw/zinc/18/82/36/436188236.db2.gz SACSNYYBZJCZIV-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071901 436203756 /nfs/dbraw/zinc/20/37/56/436203756.db2.gz ABIDHBQIZBNKHT-UHFFFAOYSA-N 2 1 322.880 3.253 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071901 436203762 /nfs/dbraw/zinc/20/37/62/436203762.db2.gz ABIDHBQIZBNKHT-UHFFFAOYSA-N 2 1 322.880 3.253 20 0 DGADMP Cc1oc2ccccc2c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072350 436205640 /nfs/dbraw/zinc/20/56/40/436205640.db2.gz ZKBSWDUZXYSJPQ-UHFFFAOYSA-N 2 1 314.429 3.038 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653567929 436210888 /nfs/dbraw/zinc/21/08/88/436210888.db2.gz DVCFUYLEYIBEGC-QGZVFWFLSA-N 2 1 312.461 3.083 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCCc1c[nH+]cn1C ZINC000653567929 436210895 /nfs/dbraw/zinc/21/08/95/436210895.db2.gz DVCFUYLEYIBEGC-QGZVFWFLSA-N 2 1 312.461 3.083 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000653589083 436215875 /nfs/dbraw/zinc/21/58/75/436215875.db2.gz XLWGPDPJBLTGGB-HNNXBMFYSA-N 2 1 319.836 3.159 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000653589083 436215880 /nfs/dbraw/zinc/21/58/80/436215880.db2.gz XLWGPDPJBLTGGB-HNNXBMFYSA-N 2 1 319.836 3.159 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OC(F)F)cc1 ZINC000653600811 436219515 /nfs/dbraw/zinc/21/95/15/436219515.db2.gz UMZJDZCAZGULEB-LBPRGKRZSA-N 2 1 309.360 3.305 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878918 436220791 /nfs/dbraw/zinc/22/07/91/436220791.db2.gz RZXYTJPKOGVLJP-MSOLQXFVSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878918 436220794 /nfs/dbraw/zinc/22/07/94/436220794.db2.gz RZXYTJPKOGVLJP-MSOLQXFVSA-N 2 1 305.466 3.253 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657491685 436225469 /nfs/dbraw/zinc/22/54/69/436225469.db2.gz HTKMDAMXYMWEMQ-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154536 436289327 /nfs/dbraw/zinc/28/93/27/436289327.db2.gz GKWQCUUCXRRRJT-QFBILLFUSA-N 2 1 324.468 3.432 20 0 DGADMP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153476 436289779 /nfs/dbraw/zinc/28/97/79/436289779.db2.gz SBDCWTLXGPEDMG-JXFKEZNVSA-N 2 1 316.489 3.402 20 0 DGADMP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153476 436289784 /nfs/dbraw/zinc/28/97/84/436289784.db2.gz SBDCWTLXGPEDMG-JXFKEZNVSA-N 2 1 316.489 3.402 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OCCC)c1 ZINC000666855275 436295976 /nfs/dbraw/zinc/29/59/76/436295976.db2.gz IYXROGNFFMYGEO-QGZVFWFLSA-N 2 1 320.477 3.496 20 0 DGADMP COc1ccc(C(C)C)cc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000653695576 436245286 /nfs/dbraw/zinc/24/52/86/436245286.db2.gz WOGXZRPVFKCYMU-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000653695576 436245290 /nfs/dbraw/zinc/24/52/90/436245290.db2.gz WOGXZRPVFKCYMU-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000653695576 436245295 /nfs/dbraw/zinc/24/52/95/436245295.db2.gz WOGXZRPVFKCYMU-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000653695576 436245299 /nfs/dbraw/zinc/24/52/99/436245299.db2.gz WOGXZRPVFKCYMU-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000653695576 436245301 /nfs/dbraw/zinc/24/53/01/436245301.db2.gz WOGXZRPVFKCYMU-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP Cc1cccc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596413 436258067 /nfs/dbraw/zinc/25/80/67/436258067.db2.gz MZHKNCOPCTYMQR-FQEVSTJZSA-N 2 1 324.468 3.160 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657597208 436258081 /nfs/dbraw/zinc/25/80/81/436258081.db2.gz QXYOOWUPQMZNKF-UXPWSPDFSA-N 2 1 316.489 3.169 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662050122 436258669 /nfs/dbraw/zinc/25/86/69/436258669.db2.gz PKQDBHBIKZMANA-SFHVURJKSA-N 2 1 314.473 3.331 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657611015 436260182 /nfs/dbraw/zinc/26/01/82/436260182.db2.gz INCXSUKAEVAZNJ-GUDVDZBRSA-N 2 1 314.473 3.341 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657611015 436260186 /nfs/dbraw/zinc/26/01/86/436260186.db2.gz INCXSUKAEVAZNJ-GUDVDZBRSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@H]([NH2+]Cc1c(Cl)ccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000666774177 436279755 /nfs/dbraw/zinc/27/97/55/436279755.db2.gz NBFHNTFVCRWQLJ-JSGCOSHPSA-N 2 1 303.837 3.366 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C12CCC2 ZINC000657701857 436282081 /nfs/dbraw/zinc/28/20/81/436282081.db2.gz CPPQUTVFSFEVSL-LUKYLMHMSA-N 2 1 306.494 3.329 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OC ZINC000666798898 436283609 /nfs/dbraw/zinc/28/36/09/436283609.db2.gz QEUDKOBKPRKIDX-GDBMZVCRSA-N 2 1 308.466 3.336 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657966556 436348267 /nfs/dbraw/zinc/34/82/67/436348267.db2.gz HUMXZMITWXWWHG-WDSOQIARSA-N 2 1 324.472 3.218 20 0 DGADMP COc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000657778377 436303536 /nfs/dbraw/zinc/30/35/36/436303536.db2.gz GFLXQBRJWBIKMS-IRXDYDNUSA-N 2 1 300.446 3.291 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662256908 436312736 /nfs/dbraw/zinc/31/27/36/436312736.db2.gz ZGBDGWSFLRZFNK-NRFANRHFSA-N 2 1 322.452 3.214 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1c1ccccc1 ZINC000662257300 436312846 /nfs/dbraw/zinc/31/28/46/436312846.db2.gz CLSILYOILQYALV-BHIYHBOVSA-N 2 1 314.473 3.023 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254651 436312901 /nfs/dbraw/zinc/31/29/01/436312901.db2.gz RQHNOFBWZRKKGO-QRVBRYPASA-N 2 1 314.473 3.166 20 0 DGADMP COCC[N@@H+](CCc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251453 436313812 /nfs/dbraw/zinc/31/38/12/436313812.db2.gz DEGLPYDLXBWEOL-UHFFFAOYSA-N 2 1 324.468 3.023 20 0 DGADMP Oc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662253250 436314833 /nfs/dbraw/zinc/31/48/33/436314833.db2.gz GTMOQCVIXKVWQJ-HXUWFJFHSA-N 2 1 308.425 3.375 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267024 436315890 /nfs/dbraw/zinc/31/58/90/436315890.db2.gz RTRGPGKDMATOMA-WDEREUQCSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267024 436315894 /nfs/dbraw/zinc/31/58/94/436315894.db2.gz RTRGPGKDMATOMA-WDEREUQCSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cncc(Br)c1 ZINC000657817204 436316467 /nfs/dbraw/zinc/31/64/67/436316467.db2.gz QCNWPUDNUDSZGB-LLVKDONJSA-N 2 1 314.271 3.083 20 0 DGADMP Fc1ccc(F)c2c1CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662258855 436317327 /nfs/dbraw/zinc/31/73/27/436317327.db2.gz MUPMCJIIXMGSMX-UHFFFAOYSA-N 2 1 314.379 3.169 20 0 DGADMP Fc1ccc(F)c2c1CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662258855 436317330 /nfs/dbraw/zinc/31/73/30/436317330.db2.gz MUPMCJIIXMGSMX-UHFFFAOYSA-N 2 1 314.379 3.169 20 0 DGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662280706 436320810 /nfs/dbraw/zinc/32/08/10/436320810.db2.gz OVYIQYRSJRIHKY-SFHVURJKSA-N 2 1 310.445 3.009 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657836994 436321352 /nfs/dbraw/zinc/32/13/52/436321352.db2.gz WQZGPEICDPJFAG-GOSISDBHSA-N 2 1 302.462 3.328 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998318 436321947 /nfs/dbraw/zinc/32/19/47/436321947.db2.gz NOSWUKFTRDBJNH-QGZVFWFLSA-N 2 1 300.446 3.240 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000662273909 436322406 /nfs/dbraw/zinc/32/24/06/436322406.db2.gz QRJRKNMSWSIUGY-CVEARBPZSA-N 2 1 320.502 3.109 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662292360 436323426 /nfs/dbraw/zinc/32/34/26/436323426.db2.gz DYPBKHUNLDKUJG-MOPGFXCFSA-N 2 1 302.462 3.086 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCc1nsc3ccccc31)CC[NH2+]CC2 ZINC000662282685 436323707 /nfs/dbraw/zinc/32/37/07/436323707.db2.gz JDZYGLGVKKGCKE-CQSZACIVSA-N 2 1 315.486 3.303 20 0 DGADMP c1ccc(COCCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293511 436325728 /nfs/dbraw/zinc/32/57/28/436325728.db2.gz LRJRIPXSZBHQGN-FQEVSTJZSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298248 436326699 /nfs/dbraw/zinc/32/66/99/436326699.db2.gz UYEIWNPVATYILL-HIFRSBDPSA-N 2 1 320.481 3.140 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)c1 ZINC000657861628 436327796 /nfs/dbraw/zinc/32/77/96/436327796.db2.gz VCHIYLVLPUGZEZ-HZPDHXFCSA-N 2 1 320.502 3.261 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)c1 ZINC000657861628 436327800 /nfs/dbraw/zinc/32/78/00/436327800.db2.gz VCHIYLVLPUGZEZ-HZPDHXFCSA-N 2 1 320.502 3.261 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000662310212 436327782 /nfs/dbraw/zinc/32/77/82/436327782.db2.gz HYEIHKJMCIXAJJ-LJQANCHMSA-N 2 1 302.462 3.048 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)c1 ZINC000657861626 436328540 /nfs/dbraw/zinc/32/85/40/436328540.db2.gz VCHIYLVLPUGZEZ-HOTGVXAUSA-N 2 1 320.502 3.261 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)c1 ZINC000657861626 436328544 /nfs/dbraw/zinc/32/85/44/436328544.db2.gz VCHIYLVLPUGZEZ-HOTGVXAUSA-N 2 1 320.502 3.261 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCCn3nccc32)C1 ZINC000657870970 436329403 /nfs/dbraw/zinc/32/94/03/436329403.db2.gz HLHBHGRWVZCIAY-BPQIPLTHSA-N 2 1 310.445 3.143 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)[C@@H]1CCC[NH3+] ZINC000662312765 436329486 /nfs/dbraw/zinc/32/94/86/436329486.db2.gz DJZKYBJABKGSJF-VQIMIIECSA-N 2 1 312.461 3.212 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662313415 436329595 /nfs/dbraw/zinc/32/95/95/436329595.db2.gz LFQRCGFAFXZIJK-VQIMIIECSA-N 2 1 304.478 3.467 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657999085 436353572 /nfs/dbraw/zinc/35/35/72/436353572.db2.gz RVPORMSIIRDOFH-ROUUACIJSA-N 2 1 304.503 3.384 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000662324944 436330305 /nfs/dbraw/zinc/33/03/05/436330305.db2.gz FMHMXMWZDLFOKQ-MRXNPFEDSA-N 2 1 318.486 3.444 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000662324944 436330307 /nfs/dbraw/zinc/33/03/07/436330307.db2.gz FMHMXMWZDLFOKQ-MRXNPFEDSA-N 2 1 318.486 3.444 20 0 DGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322688 436330588 /nfs/dbraw/zinc/33/05/88/436330588.db2.gz WUBNEFJTILUBAL-ROUUACIJSA-N 2 1 308.441 3.319 20 0 DGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322688 436330590 /nfs/dbraw/zinc/33/05/90/436330590.db2.gz WUBNEFJTILUBAL-ROUUACIJSA-N 2 1 308.441 3.319 20 0 DGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322685 436330856 /nfs/dbraw/zinc/33/08/56/436330856.db2.gz WUBNEFJTILUBAL-MSOLQXFVSA-N 2 1 308.441 3.319 20 0 DGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322685 436330859 /nfs/dbraw/zinc/33/08/59/436330859.db2.gz WUBNEFJTILUBAL-MSOLQXFVSA-N 2 1 308.441 3.319 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCO1 ZINC000662322754 436331164 /nfs/dbraw/zinc/33/11/64/436331164.db2.gz XLZAQHUACPKYHG-SFHVURJKSA-N 2 1 324.896 3.315 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCc2ccccc2Cl)CCO1 ZINC000662326439 436331740 /nfs/dbraw/zinc/33/17/40/436331740.db2.gz ZTERYSWLWKLQBG-QGZVFWFLSA-N 2 1 324.896 3.315 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCc2ccccc2Cl)CCO1 ZINC000662326439 436331745 /nfs/dbraw/zinc/33/17/45/436331745.db2.gz ZTERYSWLWKLQBG-QGZVFWFLSA-N 2 1 324.896 3.315 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[C@H]1c1cccs1 ZINC000657889134 436334135 /nfs/dbraw/zinc/33/41/35/436334135.db2.gz OMDDSYCHRNJSPD-VYDXJSESSA-N 2 1 320.502 3.432 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[C@H]1c1cccs1 ZINC000657889134 436334137 /nfs/dbraw/zinc/33/41/37/436334137.db2.gz OMDDSYCHRNJSPD-VYDXJSESSA-N 2 1 320.502 3.432 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1CCCn2nccc21)[N@H+](C)Cc1ccccc1 ZINC000657898612 436335586 /nfs/dbraw/zinc/33/55/86/436335586.db2.gz FMTORNUYKOOYLB-WMZOPIPTSA-N 2 1 312.461 3.218 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1CCCn2nccc21)[N@@H+](C)Cc1ccccc1 ZINC000657898612 436335590 /nfs/dbraw/zinc/33/55/90/436335590.db2.gz FMTORNUYKOOYLB-WMZOPIPTSA-N 2 1 312.461 3.218 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000658058180 436361458 /nfs/dbraw/zinc/36/14/58/436361458.db2.gz LTXMKKCFCSSLIR-OKYOBFRVSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091006 436371520 /nfs/dbraw/zinc/37/15/20/436371520.db2.gz KBEYHYLKFISBCR-CJNGLKHVSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091006 436371522 /nfs/dbraw/zinc/37/15/22/436371522.db2.gz KBEYHYLKFISBCR-CJNGLKHVSA-N 2 1 321.440 3.005 20 0 DGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 ZINC000662661675 436377376 /nfs/dbraw/zinc/37/73/76/436377376.db2.gz TTWHYVNDNBIESW-WKILWMFISA-N 2 1 315.461 3.127 20 0 DGADMP CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136102 436384299 /nfs/dbraw/zinc/38/42/99/436384299.db2.gz BOUDRSKWAVAKBW-MOPGFXCFSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138091 436384662 /nfs/dbraw/zinc/38/46/62/436384662.db2.gz IRPIBQAWUCXFQP-XLIONFOSSA-N 2 1 316.489 3.478 20 0 DGADMP CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136105 436385014 /nfs/dbraw/zinc/38/50/14/436385014.db2.gz BOUDRSKWAVAKBW-RBUKOAKNSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658134795 436385245 /nfs/dbraw/zinc/38/52/45/436385245.db2.gz BPVXQJILSCJEGX-VQTJNVASSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cscn1 ZINC000658152644 436385938 /nfs/dbraw/zinc/38/59/38/436385938.db2.gz UTLAZPWIFXVGOP-UONOGXRCSA-N 2 1 319.474 3.495 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658144453 436386600 /nfs/dbraw/zinc/38/66/00/436386600.db2.gz MCXCEQQGCDEWGM-OXQOHEQNSA-N 2 1 310.441 3.104 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658142148 436386728 /nfs/dbraw/zinc/38/67/28/436386728.db2.gz DGXQKKDVRONFAU-UTKZUKDTSA-N 2 1 324.468 3.412 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658142146 436386822 /nfs/dbraw/zinc/38/68/22/436386822.db2.gz DGXQKKDVRONFAU-LAUBAEHRSA-N 2 1 324.468 3.412 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142883 436387506 /nfs/dbraw/zinc/38/75/06/436387506.db2.gz ZNMYAIWYVFDDOD-AABGKKOBSA-N 2 1 316.489 3.312 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000658320355 436429443 /nfs/dbraw/zinc/42/94/43/436429443.db2.gz SVVHESUUVNLFFK-ROUUACIJSA-N 2 1 316.514 3.384 20 0 DGADMP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347016 436443250 /nfs/dbraw/zinc/44/32/50/436443250.db2.gz FRNVJHCGSQZGLR-INIZCTEOSA-N 2 1 324.415 3.500 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663343945 436443531 /nfs/dbraw/zinc/44/35/31/436443531.db2.gz KJYSEEKUQUCEFF-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000663343945 436443535 /nfs/dbraw/zinc/44/35/35/436443535.db2.gz KJYSEEKUQUCEFF-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347711 436444205 /nfs/dbraw/zinc/44/42/05/436444205.db2.gz SXYRDKCJXLWYAF-OAHLLOKOSA-N 2 1 324.415 3.500 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347711 436444206 /nfs/dbraw/zinc/44/42/06/436444206.db2.gz SXYRDKCJXLWYAF-OAHLLOKOSA-N 2 1 324.415 3.500 20 0 DGADMP c1cc2c(cc[nH+]c2NCc2ccc(C[NH+]3CCOCC3)cc2)[nH]1 ZINC000663349341 436444817 /nfs/dbraw/zinc/44/48/17/436444817.db2.gz JNIKSYGVTUUWQR-UHFFFAOYSA-N 2 1 322.412 3.007 20 0 DGADMP c1cn(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2)cn1 ZINC000663347814 436445631 /nfs/dbraw/zinc/44/56/31/436445631.db2.gz WPXVKWWQCGYFPM-LJQANCHMSA-N 2 1 324.472 3.084 20 0 DGADMP FCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000663462074 436462104 /nfs/dbraw/zinc/46/21/04/436462104.db2.gz UXRBMCTZXVXHDL-OTWHNJEPSA-N 2 1 320.452 3.005 20 0 DGADMP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663464969 436463715 /nfs/dbraw/zinc/46/37/15/436463715.db2.gz HPOGHRVFIAEMRT-IEBWSBKVSA-N 2 1 313.489 3.041 20 0 DGADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466339 436464262 /nfs/dbraw/zinc/46/42/62/436464262.db2.gz RIGLOAABARAIOD-UAFMIMERSA-N 2 1 320.521 3.293 20 0 DGADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467297 436465292 /nfs/dbraw/zinc/46/52/92/436465292.db2.gz ZZQAZBSVCUKBKA-QZTJIDSGSA-N 2 1 306.494 3.047 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)[C@H](C)C1 ZINC000658279952 436415495 /nfs/dbraw/zinc/41/54/95/436415495.db2.gz DZLXAJUHZBERMB-QLFBSQMISA-N 2 1 318.452 3.004 20 0 DGADMP c1cc2c(cc[nH+]c2N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000663875803 436521728 /nfs/dbraw/zinc/52/17/28/436521728.db2.gz FWYXSUVPAKNHMJ-CQSZACIVSA-N 2 1 321.428 3.480 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)cc1F ZINC000663498659 436470821 /nfs/dbraw/zinc/47/08/21/436470821.db2.gz RBUWHEKUAVJHEU-CYBMUJFWSA-N 2 1 303.219 3.051 20 0 DGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH2+]C ZINC000663513503 436473193 /nfs/dbraw/zinc/47/31/93/436473193.db2.gz KUFQMQUAXDCRMY-WFASDCNBSA-N 2 1 313.283 3.358 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000660011029 436580238 /nfs/dbraw/zinc/58/02/38/436580238.db2.gz NFDMGKYMOVRGBD-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP COc1cccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000660011029 436580242 /nfs/dbraw/zinc/58/02/42/436580242.db2.gz NFDMGKYMOVRGBD-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP COc1cccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000660011029 436580245 /nfs/dbraw/zinc/58/02/45/436580245.db2.gz NFDMGKYMOVRGBD-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP c1ccc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116439 436590169 /nfs/dbraw/zinc/59/01/69/436590169.db2.gz ZGDQXOHSSGEESV-YWZLYKJASA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116439 436590173 /nfs/dbraw/zinc/59/01/73/436590173.db2.gz ZGDQXOHSSGEESV-YWZLYKJASA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc2c1 ZINC000660116439 436590174 /nfs/dbraw/zinc/59/01/74/436590174.db2.gz ZGDQXOHSSGEESV-YWZLYKJASA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnc2c1 ZINC000660116439 436590177 /nfs/dbraw/zinc/59/01/77/436590177.db2.gz ZGDQXOHSSGEESV-YWZLYKJASA-N 2 1 322.456 3.079 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000660115484 436590703 /nfs/dbraw/zinc/59/07/03/436590703.db2.gz AJEILDYXDDVXBP-SLFFLAALSA-N 2 1 316.489 3.494 20 0 DGADMP c1ccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116437 436590894 /nfs/dbraw/zinc/59/08/94/436590894.db2.gz ZGDQXOHSSGEESV-MGPUTAFESA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116437 436590896 /nfs/dbraw/zinc/59/08/96/436590896.db2.gz ZGDQXOHSSGEESV-MGPUTAFESA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc2c1 ZINC000660116437 436590899 /nfs/dbraw/zinc/59/08/99/436590899.db2.gz ZGDQXOHSSGEESV-MGPUTAFESA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnc2c1 ZINC000660116437 436590902 /nfs/dbraw/zinc/59/09/02/436590902.db2.gz ZGDQXOHSSGEESV-MGPUTAFESA-N 2 1 322.456 3.079 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)no2)CC1)CC1CC1 ZINC000660168202 436597868 /nfs/dbraw/zinc/59/78/68/436597868.db2.gz JXVFVCYRDLRKRO-UHFFFAOYSA-N 2 1 321.465 3.017 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)no2)CC1)CC(C)C ZINC000660171185 436599538 /nfs/dbraw/zinc/59/95/38/436599538.db2.gz JJFQDZFBCAYPCK-UHFFFAOYSA-N 2 1 323.481 3.263 20 0 DGADMP COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)on1 ZINC000660205432 436604970 /nfs/dbraw/zinc/60/49/70/436604970.db2.gz WNUMAXFRPJELIO-GFCCVEGCSA-N 2 1 312.373 3.028 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000660304946 436621037 /nfs/dbraw/zinc/62/10/37/436621037.db2.gz HWRJKENYOHOMQF-RSPOEFSDSA-N 2 1 316.489 3.269 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)cn1 ZINC000528848091 313097667 /nfs/dbraw/zinc/09/76/67/313097667.db2.gz AFXFLHLWYVLZOP-SFHVURJKSA-N 2 1 303.450 3.007 20 0 DGADMP COc1cccc([C@@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2(C)C)c1 ZINC000530244479 313346973 /nfs/dbraw/zinc/34/69/73/313346973.db2.gz LWLYVMVBTXBWRI-HKUYNNGSSA-N 2 1 302.462 3.120 20 0 DGADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000530355045 313360441 /nfs/dbraw/zinc/36/04/41/313360441.db2.gz ZEZLWCVXFUZXSV-LLVKDONJSA-N 2 1 312.244 3.490 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665834 313393824 /nfs/dbraw/zinc/39/38/24/313393824.db2.gz DLFOMRUOQGFDOR-GXTWGEPZSA-N 2 1 324.852 3.373 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665834 313393827 /nfs/dbraw/zinc/39/38/27/313393827.db2.gz DLFOMRUOQGFDOR-GXTWGEPZSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665834 313393830 /nfs/dbraw/zinc/39/38/30/313393830.db2.gz DLFOMRUOQGFDOR-GXTWGEPZSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C ZINC000530665834 313393831 /nfs/dbraw/zinc/39/38/31/313393831.db2.gz DLFOMRUOQGFDOR-GXTWGEPZSA-N 2 1 324.852 3.373 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188671 313525469 /nfs/dbraw/zinc/52/54/69/313525469.db2.gz XVQNRNFTQQZNOE-IXDOHACOSA-N 2 1 321.534 3.205 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ncc(C)cn2)cc1 ZINC000537950050 313841302 /nfs/dbraw/zinc/84/13/02/313841302.db2.gz GUAMTAAZUSGQOF-OAHLLOKOSA-N 2 1 321.428 3.172 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000542012881 314053068 /nfs/dbraw/zinc/05/30/68/314053068.db2.gz XDNYNUXXRXZTCY-UHFFFAOYSA-N 2 1 320.481 3.281 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCC[C@@H](C)C1 ZINC000542085568 314056213 /nfs/dbraw/zinc/05/62/13/314056213.db2.gz LKIAVNCZPAWSHQ-PHXBYCTMSA-N 2 1 318.505 3.375 20 0 DGADMP C[C@@H](CCC1CC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545279328 314240402 /nfs/dbraw/zinc/24/04/02/314240402.db2.gz DLUPVJWOFQELQM-DOTOQJQBSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@H+](CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000546335165 314301693 /nfs/dbraw/zinc/30/16/93/314301693.db2.gz IRILXLBVEIGMMO-OAHLLOKOSA-N 2 1 310.457 3.333 20 0 DGADMP CC[N@@H+](CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC000546335165 314301696 /nfs/dbraw/zinc/30/16/96/314301696.db2.gz IRILXLBVEIGMMO-OAHLLOKOSA-N 2 1 310.457 3.333 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000554140670 314668315 /nfs/dbraw/zinc/66/83/15/314668315.db2.gz HGJSWNNOJVZYTM-CQSZACIVSA-N 2 1 303.450 3.148 20 0 DGADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000560024775 314899502 /nfs/dbraw/zinc/89/95/02/314899502.db2.gz JNEBHNDOUCTRCE-DLBZAZTESA-N 2 1 318.509 3.300 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C2CC2)C2CC2)[C@H](C)C1 ZINC000562318248 315009189 /nfs/dbraw/zinc/00/91/89/315009189.db2.gz OWGTYOLGKVLQQF-DNVCBOLYSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC000562679898 315042678 /nfs/dbraw/zinc/04/26/78/315042678.db2.gz HRZOKSWXYRPUJI-INIZCTEOSA-N 2 1 310.445 3.141 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC000562679898 315042681 /nfs/dbraw/zinc/04/26/81/315042681.db2.gz HRZOKSWXYRPUJI-INIZCTEOSA-N 2 1 310.445 3.141 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000563061403 315075688 /nfs/dbraw/zinc/07/56/88/315075688.db2.gz HYGDODVLTNNQKI-IRXDYDNUSA-N 2 1 301.478 3.175 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000563353669 315105704 /nfs/dbraw/zinc/10/57/04/315105704.db2.gz KVKCMOJKDSRJMC-UHFFFAOYSA-N 2 1 305.372 3.300 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(OC(F)F)c1 ZINC000563357054 315106225 /nfs/dbraw/zinc/10/62/25/315106225.db2.gz ZQKSJHKDXHIKKA-GFCCVEGCSA-N 2 1 309.360 3.305 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccco2)cc1 ZINC000563424133 315114148 /nfs/dbraw/zinc/11/41/48/315114148.db2.gz JTFQBVNMUMJSDV-DAYGRLMNSA-N 2 1 300.402 3.237 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1nc(C(F)(F)F)cs1 ZINC000563653827 315130372 /nfs/dbraw/zinc/13/03/72/315130372.db2.gz BLRVUTPBNSMULW-JGVFFNPUSA-N 2 1 316.352 3.093 20 0 DGADMP COc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1Cl ZINC000564666068 315190139 /nfs/dbraw/zinc/19/01/39/315190139.db2.gz MAEKQNOSJFDSHP-UHFFFAOYSA-N 2 1 307.825 3.147 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1Cl ZINC000564666068 315190143 /nfs/dbraw/zinc/19/01/43/315190143.db2.gz MAEKQNOSJFDSHP-UHFFFAOYSA-N 2 1 307.825 3.147 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000565155579 315235232 /nfs/dbraw/zinc/23/52/32/315235232.db2.gz FIIDRPODQJJHKX-FQEVSTJZSA-N 2 1 320.440 3.259 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000565155579 315235236 /nfs/dbraw/zinc/23/52/36/315235236.db2.gz FIIDRPODQJJHKX-FQEVSTJZSA-N 2 1 320.440 3.259 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000565500033 315266051 /nfs/dbraw/zinc/26/60/51/315266051.db2.gz MGRBRPQNIZRZDJ-UWJYYQICSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1Cc1ccccc1 ZINC000565500033 315266053 /nfs/dbraw/zinc/26/60/53/315266053.db2.gz MGRBRPQNIZRZDJ-UWJYYQICSA-N 2 1 324.468 3.322 20 0 DGADMP COCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604481 315273876 /nfs/dbraw/zinc/27/38/76/315273876.db2.gz UJHBGVPOZUUUPD-GDBMZVCRSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604481 315273878 /nfs/dbraw/zinc/27/38/78/315273878.db2.gz UJHBGVPOZUUUPD-GDBMZVCRSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565604481 315273880 /nfs/dbraw/zinc/27/38/80/315273880.db2.gz UJHBGVPOZUUUPD-GDBMZVCRSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000565604481 315273883 /nfs/dbraw/zinc/27/38/83/315273883.db2.gz UJHBGVPOZUUUPD-GDBMZVCRSA-N 2 1 310.507 3.235 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000567086075 315395440 /nfs/dbraw/zinc/39/54/40/315395440.db2.gz XTMPGKWKNOLVFU-CQSZACIVSA-N 2 1 301.409 3.194 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC(C)C ZINC000574878168 316010572 /nfs/dbraw/zinc/01/05/72/316010572.db2.gz PKLUNJOSSLSVDQ-LJQANCHMSA-N 2 1 318.461 3.058 20 0 DGADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC(C)C ZINC000574878168 316010576 /nfs/dbraw/zinc/01/05/76/316010576.db2.gz PKLUNJOSSLSVDQ-LJQANCHMSA-N 2 1 318.461 3.058 20 0 DGADMP c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000575411782 316052485 /nfs/dbraw/zinc/05/24/85/316052485.db2.gz BSGIFFPENWVJST-HXUWFJFHSA-N 2 1 307.441 3.019 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000576405195 316126729 /nfs/dbraw/zinc/12/67/29/316126729.db2.gz OQWRRSNVTILGKF-RDTXWAMCSA-N 2 1 322.880 3.154 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000576534640 316141448 /nfs/dbraw/zinc/14/14/48/316141448.db2.gz GAMDNRUYMZXFOC-XUVXKRRUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000576534640 316141452 /nfs/dbraw/zinc/14/14/52/316141452.db2.gz GAMDNRUYMZXFOC-XUVXKRRUSA-N 2 1 316.489 3.353 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc2cccnc12 ZINC000576594574 316147149 /nfs/dbraw/zinc/14/71/49/316147149.db2.gz ODXDEQBDGMSLIE-RTBURBONSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc2cccnc12 ZINC000576594574 316147152 /nfs/dbraw/zinc/14/71/52/316147152.db2.gz ODXDEQBDGMSLIE-RTBURBONSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc2cccnc12 ZINC000576594574 316147154 /nfs/dbraw/zinc/14/71/54/316147154.db2.gz ODXDEQBDGMSLIE-RTBURBONSA-N 2 1 309.457 3.459 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000576636231 316150990 /nfs/dbraw/zinc/15/09/90/316150990.db2.gz AKTSPWABALSZPK-ZIAGYGMSSA-N 2 1 300.377 3.127 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000576636231 316150995 /nfs/dbraw/zinc/15/09/95/316150995.db2.gz AKTSPWABALSZPK-ZIAGYGMSSA-N 2 1 300.377 3.127 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C(C3CC3)C3CC3)CCCC2)CC1 ZINC000577005674 316192250 /nfs/dbraw/zinc/19/22/50/316192250.db2.gz MANCCEYRNLBAAI-UHFFFAOYSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000577795598 316270946 /nfs/dbraw/zinc/27/09/46/316270946.db2.gz MZLFOCNZPYRAAB-MWDXBVQZSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000577795598 316270950 /nfs/dbraw/zinc/27/09/50/316270950.db2.gz MZLFOCNZPYRAAB-MWDXBVQZSA-N 2 1 312.498 3.064 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000180242835 323224558 /nfs/dbraw/zinc/22/45/58/323224558.db2.gz DHMUSBSRICQFKI-UHFFFAOYSA-N 2 1 315.461 3.245 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000180242835 323224559 /nfs/dbraw/zinc/22/45/59/323224559.db2.gz DHMUSBSRICQFKI-UHFFFAOYSA-N 2 1 315.461 3.245 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000180699646 323236724 /nfs/dbraw/zinc/23/67/24/323236724.db2.gz FZLXPXGQSIIZNX-HOTGVXAUSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000180699646 323236727 /nfs/dbraw/zinc/23/67/27/323236727.db2.gz FZLXPXGQSIIZNX-HOTGVXAUSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@@H+]1C ZINC000180892610 323240717 /nfs/dbraw/zinc/24/07/17/323240717.db2.gz QGXSRUHYMUQITL-WBVHZDCISA-N 2 1 304.478 3.435 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)CC[N@H+]1C ZINC000180892610 323240721 /nfs/dbraw/zinc/24/07/21/323240721.db2.gz QGXSRUHYMUQITL-WBVHZDCISA-N 2 1 304.478 3.435 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181693127 323264091 /nfs/dbraw/zinc/26/40/91/323264091.db2.gz VWFXLXHRYZKPIH-OIISXLGYSA-N 2 1 307.482 3.257 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCn2ccnc2)C12CCCCC2 ZINC000183181440 323328388 /nfs/dbraw/zinc/32/83/88/323328388.db2.gz VLNWYUZJBCTTGR-SJORKVTESA-N 2 1 305.466 3.333 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185279405 323385671 /nfs/dbraw/zinc/38/56/71/323385671.db2.gz NSQURKJOWRKOEF-DOTOQJQBSA-N 2 1 322.468 3.334 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000194838655 323480918 /nfs/dbraw/zinc/48/09/18/323480918.db2.gz PYXOULIMFHMQFY-SFHVURJKSA-N 2 1 300.446 3.289 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(-n2cccn2)c1 ZINC000581039242 324066654 /nfs/dbraw/zinc/06/66/54/324066654.db2.gz QNJOVLLKHYWBNW-UHFFFAOYSA-N 2 1 312.461 3.180 20 0 DGADMP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000581922449 324167951 /nfs/dbraw/zinc/16/79/51/324167951.db2.gz MCTBQNBQDBPTFM-FQEVSTJZSA-N 2 1 319.537 3.248 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117392 324191337 /nfs/dbraw/zinc/19/13/37/324191337.db2.gz OTYASSMVNWFWIB-QGPMSJSTSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117392 324191339 /nfs/dbraw/zinc/19/13/39/324191339.db2.gz OTYASSMVNWFWIB-QGPMSJSTSA-N 2 1 322.880 3.021 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000582149630 324196073 /nfs/dbraw/zinc/19/60/73/324196073.db2.gz SSJRZUDUYSSDOV-QGZVFWFLSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000582149630 324196075 /nfs/dbraw/zinc/19/60/75/324196075.db2.gz SSJRZUDUYSSDOV-QGZVFWFLSA-N 3 1 307.526 3.103 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000582149630 324196078 /nfs/dbraw/zinc/19/60/78/324196078.db2.gz SSJRZUDUYSSDOV-QGZVFWFLSA-N 3 1 307.526 3.103 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000583075520 324309793 /nfs/dbraw/zinc/30/97/93/324309793.db2.gz MOBRMUXTPOHZPV-ZNMIVQPWSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC000583360155 324342409 /nfs/dbraw/zinc/34/24/09/324342409.db2.gz OWKVUZLOPZOOAJ-IYBDPMFKSA-N 2 1 315.461 3.147 20 0 DGADMP C=Cn1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000583421162 324351346 /nfs/dbraw/zinc/35/13/46/324351346.db2.gz KTCYZDZXILJSBR-IEBWSBKVSA-N 2 1 324.472 3.374 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1OC(F)F ZINC000583539803 324366772 /nfs/dbraw/zinc/36/67/72/324366772.db2.gz PIYCUMVVZHUHMZ-SNVBAGLBSA-N 2 1 313.323 3.054 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000584284239 332211095 /nfs/dbraw/zinc/21/10/95/332211095.db2.gz YHIHBOZBKMDQCX-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000584284239 332211096 /nfs/dbraw/zinc/21/10/96/332211096.db2.gz YHIHBOZBKMDQCX-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000584284239 332211097 /nfs/dbraw/zinc/21/10/97/332211097.db2.gz YHIHBOZBKMDQCX-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000442920611 533744165 /nfs/dbraw/zinc/74/41/65/533744165.db2.gz HEAGLLFSEVMJSJ-HUUCEWRRSA-N 2 1 308.441 3.074 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000441270068 533837573 /nfs/dbraw/zinc/83/75/73/533837573.db2.gz NOKPNLRKHGCMNM-IEWDOMPSSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422874077 533872304 /nfs/dbraw/zinc/87/23/04/533872304.db2.gz CDQUXWUWNSBJNC-IAGOWNOFSA-N 3 1 303.494 3.136 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331725140 534087054 /nfs/dbraw/zinc/08/70/54/534087054.db2.gz WPNDZMOPBYEHHE-KYJSFNMBSA-N 2 1 315.461 3.147 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc2)n1 ZINC000430559183 534095279 /nfs/dbraw/zinc/09/52/79/534095279.db2.gz ZVNXWOPCQBOJOJ-FUHWJXTLSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411803986 534244186 /nfs/dbraw/zinc/24/41/86/534244186.db2.gz PBIRSCYKGFJBGD-APWZRJJASA-N 2 1 302.462 3.018 20 0 DGADMP C[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430940282 534471133 /nfs/dbraw/zinc/47/11/33/534471133.db2.gz OGNWFBIAWLNMPY-YGRLFVJLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430940282 534471135 /nfs/dbraw/zinc/47/11/35/534471135.db2.gz OGNWFBIAWLNMPY-YGRLFVJLSA-N 2 1 303.233 3.041 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000156220593 522596956 /nfs/dbraw/zinc/59/69/56/522596956.db2.gz ATMXWIKKTOMXHU-QRQLOZEOSA-N 2 1 304.478 3.302 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000443058846 534653737 /nfs/dbraw/zinc/65/37/37/534653737.db2.gz AVVKEURJIMBEQI-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000442932738 534655088 /nfs/dbraw/zinc/65/50/88/534655088.db2.gz YYFNFJHBSHMMTJ-CYBMUJFWSA-N 2 1 316.367 3.189 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000154871089 522882803 /nfs/dbraw/zinc/88/28/03/522882803.db2.gz YIQWTGCXTLRJJR-RTBURBONSA-N 2 1 304.478 3.432 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)s1 ZINC000159227259 524045662 /nfs/dbraw/zinc/04/56/62/524045662.db2.gz HHMSTDHOCLTLQU-AWEZNQCLSA-N 2 1 310.507 3.462 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000156233164 524196728 /nfs/dbraw/zinc/19/67/28/524196728.db2.gz RLUYTLOHWQBKCL-IAGOWNOFSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000157628380 525461400 /nfs/dbraw/zinc/46/14/00/525461400.db2.gz ZMAIRDWOFUQQJX-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)(C)c1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000319271333 526880235 /nfs/dbraw/zinc/88/02/35/526880235.db2.gz CNUYIBSXPLOASP-UHFFFAOYSA-N 2 1 304.482 3.173 20 0 DGADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415062451 527466862 /nfs/dbraw/zinc/46/68/62/527466862.db2.gz MQAGLMFNPGLBJJ-GGAFJGOMSA-N 2 1 320.436 3.086 20 0 DGADMP CC[N@H+](C)CCNc1cc[nH+]c2ccc(Br)cc12 ZINC000301986379 527803279 /nfs/dbraw/zinc/80/32/79/527803279.db2.gz METALVDRXBIFMG-UHFFFAOYSA-N 2 1 308.223 3.361 20 0 DGADMP CC[N@@H+](C)CCNc1cc[nH+]c2ccc(Br)cc12 ZINC000301986379 527803284 /nfs/dbraw/zinc/80/32/84/527803284.db2.gz METALVDRXBIFMG-UHFFFAOYSA-N 2 1 308.223 3.361 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428204323 528146305 /nfs/dbraw/zinc/14/63/05/528146305.db2.gz FODUGUZNKQVBDB-MRXNPFEDSA-N 2 1 323.481 3.039 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000441829780 528175342 /nfs/dbraw/zinc/17/53/42/528175342.db2.gz YDAPNMRCJBBWGL-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000441829780 528175346 /nfs/dbraw/zinc/17/53/46/528175346.db2.gz YDAPNMRCJBBWGL-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCCCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000435387091 528671229 /nfs/dbraw/zinc/67/12/29/528671229.db2.gz XALIOLDCWWIUHK-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCCCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000435387091 528671234 /nfs/dbraw/zinc/67/12/34/528671234.db2.gz XALIOLDCWWIUHK-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430136919 528701936 /nfs/dbraw/zinc/70/19/36/528701936.db2.gz XIXJVWWUDIKAPV-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430136919 528701939 /nfs/dbraw/zinc/70/19/39/528701939.db2.gz XIXJVWWUDIKAPV-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430136919 528701945 /nfs/dbraw/zinc/70/19/45/528701945.db2.gz XIXJVWWUDIKAPV-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430136919 528701950 /nfs/dbraw/zinc/70/19/50/528701950.db2.gz XIXJVWWUDIKAPV-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429547414 528713485 /nfs/dbraw/zinc/71/34/85/528713485.db2.gz LXGBPMNHIRKLME-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCCOc1ccc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429547414 528713490 /nfs/dbraw/zinc/71/34/90/528713490.db2.gz LXGBPMNHIRKLME-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP CCCOc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432347649 528757207 /nfs/dbraw/zinc/75/72/07/528757207.db2.gz OBADCGADYPLSSO-QGZVFWFLSA-N 2 1 320.477 3.066 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430581569 529046972 /nfs/dbraw/zinc/04/69/72/529046972.db2.gz UKKATADSOAYUBQ-MRXNPFEDSA-N 2 1 305.397 3.286 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430581569 529046978 /nfs/dbraw/zinc/04/69/78/529046978.db2.gz UKKATADSOAYUBQ-MRXNPFEDSA-N 2 1 305.397 3.286 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000309671514 529321016 /nfs/dbraw/zinc/32/10/16/529321016.db2.gz HYTZJIRFTWBLLA-OALUTQOASA-N 2 1 302.462 3.198 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495027389 535235083 /nfs/dbraw/zinc/23/50/83/535235083.db2.gz SBLCOEDWWAFZLX-IUDNXUCKSA-N 2 1 308.470 3.114 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495027389 535235090 /nfs/dbraw/zinc/23/50/90/535235090.db2.gz SBLCOEDWWAFZLX-IUDNXUCKSA-N 2 1 308.470 3.114 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)COC1 ZINC000449596193 535296047 /nfs/dbraw/zinc/29/60/47/535296047.db2.gz ABBZEYCUNMKOAY-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)COC1 ZINC000449596193 535296053 /nfs/dbraw/zinc/29/60/53/535296053.db2.gz ABBZEYCUNMKOAY-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449650311 536011608 /nfs/dbraw/zinc/01/16/08/536011608.db2.gz UBKXLEZOYXAKPO-BVBHFADKSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000088671268 545811101 /nfs/dbraw/zinc/81/11/01/545811101.db2.gz BHQAJHGCGZUUPK-LPHOPBHVSA-N 2 1 313.489 3.038 20 0 DGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089597310 545815745 /nfs/dbraw/zinc/81/57/45/545815745.db2.gz ZJZIJUBLCWWJGT-DLBZAZTESA-N 2 1 302.462 3.405 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000121403460 545896047 /nfs/dbraw/zinc/89/60/47/545896047.db2.gz HOKRMPOSBKCINA-QILLFSRXSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1noc(-c2ccccc2)n1 ZINC000124513397 545912260 /nfs/dbraw/zinc/91/22/60/545912260.db2.gz QYGQKXRHJJWMED-KBPBESRZSA-N 2 1 314.433 3.118 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132341584 545962884 /nfs/dbraw/zinc/96/28/84/545962884.db2.gz RRZPZFCTCLBRBY-QFBILLFUSA-N 2 1 309.542 3.207 20 0 DGADMP CC[NH+](CC)CCN(CCC(F)(F)F)c1cc(C)[nH+]c(C)n1 ZINC000133600480 545968473 /nfs/dbraw/zinc/96/84/73/545968473.db2.gz AJOWBKAZQJNXFN-UHFFFAOYSA-N 2 1 318.387 3.194 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccccn1 ZINC000153586852 546010618 /nfs/dbraw/zinc/01/06/18/546010618.db2.gz UETRECMAJJFNPS-IRXDYDNUSA-N 2 1 309.457 3.328 20 0 DGADMP CN(C)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000166747660 546096302 /nfs/dbraw/zinc/09/63/02/546096302.db2.gz KQZINSNIPYBMQU-DLBZAZTESA-N 2 1 324.472 3.017 20 0 DGADMP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166795028 546096347 /nfs/dbraw/zinc/09/63/47/546096347.db2.gz QZHAKDHTYXMLOF-SOLBZPMBSA-N 2 1 319.880 3.135 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000180697240 546147624 /nfs/dbraw/zinc/14/76/24/546147624.db2.gz WRXSPYBKSGETJY-GJZGRUSLSA-N 2 1 300.450 3.279 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000180697240 546147629 /nfs/dbraw/zinc/14/76/29/546147629.db2.gz WRXSPYBKSGETJY-GJZGRUSLSA-N 2 1 300.450 3.279 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000220777209 546266008 /nfs/dbraw/zinc/26/60/08/546266008.db2.gz AVTOKJFFUZGXLI-YPMHNXCESA-N 2 1 302.340 3.002 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)CC1 ZINC000236779052 546282045 /nfs/dbraw/zinc/28/20/45/546282045.db2.gz BTGFUJGNZBXBQB-UHFFFAOYSA-N 2 1 317.477 3.245 20 0 DGADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279583226 546375632 /nfs/dbraw/zinc/37/56/32/546375632.db2.gz USSSXSDELYMQDP-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)(CO)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305770897 546446270 /nfs/dbraw/zinc/44/62/70/546446270.db2.gz PETYISDXKFJZSD-GBESFXJTSA-N 2 1 316.489 3.005 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309651571 546451335 /nfs/dbraw/zinc/45/13/35/546451335.db2.gz AGULSDGLWDGVNV-ZCNNSNEGSA-N 2 1 316.489 3.303 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319326175 546464161 /nfs/dbraw/zinc/46/41/61/546464161.db2.gz OLWXYGGPAQJDJN-IBGZPJMESA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H]([NH2+]CC1(N2CCCCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000319915373 546466169 /nfs/dbraw/zinc/46/61/69/546466169.db2.gz ZCEKLQALLCAVGI-SFHVURJKSA-N 2 1 321.553 3.495 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccnn1-c1ccccc1)C[NH+]1CCCC1 ZINC000343495379 546565089 /nfs/dbraw/zinc/56/50/89/546565089.db2.gz PTELNHDGQJKFEM-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)oc1C ZINC000348122756 546586032 /nfs/dbraw/zinc/58/60/32/546586032.db2.gz UFAVCOXFNHPONV-QZTJIDSGSA-N 2 1 317.477 3.282 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396932932 546761847 /nfs/dbraw/zinc/76/18/47/546761847.db2.gz YBFLBRWBXQQURO-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396932931 546762473 /nfs/dbraw/zinc/76/24/73/546762473.db2.gz YBFLBRWBXQQURO-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(C)C ZINC000414304758 546784220 /nfs/dbraw/zinc/78/42/20/546784220.db2.gz CZKIHVXLAPUXSJ-YDZRNGNQSA-N 2 1 304.478 3.207 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(C)C ZINC000414304758 546784223 /nfs/dbraw/zinc/78/42/23/546784223.db2.gz CZKIHVXLAPUXSJ-YDZRNGNQSA-N 2 1 304.478 3.207 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414934833 546791167 /nfs/dbraw/zinc/79/11/67/546791167.db2.gz YFKIMDKICXFFJS-QWRGUYRKSA-N 2 1 303.233 3.362 20 0 DGADMP Cc1cc(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)n1 ZINC000436438732 546823741 /nfs/dbraw/zinc/82/37/41/546823741.db2.gz YKJJFYXLTJDSMT-HZPDHXFCSA-N 2 1 310.445 3.193 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000453407105 546861659 /nfs/dbraw/zinc/86/16/59/546861659.db2.gz DGHNFMKZANCZSI-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000453407105 546861661 /nfs/dbraw/zinc/86/16/61/546861661.db2.gz DGHNFMKZANCZSI-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000521054643 546964701 /nfs/dbraw/zinc/96/47/01/546964701.db2.gz HAYOQJBJQKQOME-WZGPROSRSA-N 2 1 304.478 3.209 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000521054643 546964708 /nfs/dbraw/zinc/96/47/08/546964708.db2.gz HAYOQJBJQKQOME-WZGPROSRSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCc2ccccc21 ZINC000667494173 547201632 /nfs/dbraw/zinc/20/16/32/547201632.db2.gz PGUYPWAGYFBWHY-LJQANCHMSA-N 2 1 304.397 3.387 20 0 DGADMP c1c2ccncc2sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000667663177 547265178 /nfs/dbraw/zinc/26/51/78/547265178.db2.gz FIHKBZPQGNHYCR-CQSZACIVSA-N 2 1 301.459 3.214 20 0 DGADMP c1c2ccncc2sc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000667663177 547265183 /nfs/dbraw/zinc/26/51/83/547265183.db2.gz FIHKBZPQGNHYCR-CQSZACIVSA-N 2 1 301.459 3.214 20 0 DGADMP C[C@@H]1C[C@H](N(C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667444 547267062 /nfs/dbraw/zinc/26/70/62/547267062.db2.gz NAUCSGGMMAADCZ-UKRRQHHQSA-N 2 1 306.425 3.281 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccncc3s2)[C@@H](C)C1 ZINC000667666827 547267844 /nfs/dbraw/zinc/26/78/44/547267844.db2.gz YYKHVHRKMVYETM-XJKSGUPXSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccncc3s2)[C@@H](C)C1 ZINC000667666827 547267849 /nfs/dbraw/zinc/26/78/49/547267849.db2.gz YYKHVHRKMVYETM-XJKSGUPXSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccncc3s2)[C@@H](C)C1 ZINC000667666827 547267853 /nfs/dbraw/zinc/26/78/53/547267853.db2.gz YYKHVHRKMVYETM-XJKSGUPXSA-N 2 1 303.475 3.458 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000667667149 547267966 /nfs/dbraw/zinc/26/79/66/547267966.db2.gz GJIHBGCUFLRUNP-SOLBZPMBSA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000667667149 547267972 /nfs/dbraw/zinc/26/79/72/547267972.db2.gz GJIHBGCUFLRUNP-SOLBZPMBSA-N 2 1 320.477 3.015 20 0 DGADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000667667149 547267975 /nfs/dbraw/zinc/26/79/75/547267975.db2.gz GJIHBGCUFLRUNP-SOLBZPMBSA-N 2 1 320.477 3.015 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801539 547306447 /nfs/dbraw/zinc/30/64/47/547306447.db2.gz LWSDCLJITLZZRQ-LDTOTXGLSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801539 547306450 /nfs/dbraw/zinc/30/64/50/547306450.db2.gz LWSDCLJITLZZRQ-LDTOTXGLSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000667890050 547327926 /nfs/dbraw/zinc/32/79/26/547327926.db2.gz VAMDYVKBPVRFFB-HUYLIWGRSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000667890050 547327932 /nfs/dbraw/zinc/32/79/32/547327932.db2.gz VAMDYVKBPVRFFB-HUYLIWGRSA-N 2 1 314.473 3.197 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667928878 547337117 /nfs/dbraw/zinc/33/71/17/547337117.db2.gz LEECSWHLZSRIAA-RTBURBONSA-N 2 1 302.462 3.184 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668167923 547399470 /nfs/dbraw/zinc/39/94/70/547399470.db2.gz HXFDFYZZQATAPU-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1O ZINC000668553498 547477653 /nfs/dbraw/zinc/47/76/53/547477653.db2.gz CXOCMEVETBANME-IAGOWNOFSA-N 2 1 318.505 3.093 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000668690034 547509324 /nfs/dbraw/zinc/50/93/24/547509324.db2.gz JMAZIKOVCTYNEK-KRWDZBQOSA-N 2 1 306.413 3.045 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668706172 547513916 /nfs/dbraw/zinc/51/39/16/547513916.db2.gz QBONIYLJSSPFOQ-RBUKOAKNSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000668706172 547513921 /nfs/dbraw/zinc/51/39/21/547513921.db2.gz QBONIYLJSSPFOQ-RBUKOAKNSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000668706172 547513925 /nfs/dbraw/zinc/51/39/25/547513925.db2.gz QBONIYLJSSPFOQ-RBUKOAKNSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668706172 547513931 /nfs/dbraw/zinc/51/39/31/547513931.db2.gz QBONIYLJSSPFOQ-RBUKOAKNSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668706172 547513936 /nfs/dbraw/zinc/51/39/36/547513936.db2.gz QBONIYLJSSPFOQ-RBUKOAKNSA-N 2 1 316.489 3.113 20 0 DGADMP COC[C@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713507 547517234 /nfs/dbraw/zinc/51/72/34/547517234.db2.gz RUDUSBWYUFNMRE-MJGOQNOKSA-N 2 1 316.489 3.161 20 0 DGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668738199 547527194 /nfs/dbraw/zinc/52/71/94/547527194.db2.gz CCGPLHFFZHAJTE-LPHOPBHVSA-N 2 1 308.510 3.124 20 0 DGADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCc2ccccc21 ZINC000668756219 547532173 /nfs/dbraw/zinc/53/21/73/547532173.db2.gz WZZXJOPEXTWDPE-QGZVFWFLSA-N 2 1 318.424 3.429 20 0 DGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785649 547541013 /nfs/dbraw/zinc/54/10/13/547541013.db2.gz UITJGLYZYJQQGW-ICSRJNTNSA-N 2 1 318.505 3.298 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1O ZINC000668818788 547549403 /nfs/dbraw/zinc/54/94/03/547549403.db2.gz LJPMLQXHSYLTGK-QGZVFWFLSA-N 2 1 318.461 3.003 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819854 547549441 /nfs/dbraw/zinc/54/94/41/547549441.db2.gz PZMXIDOXYJMTLR-MAUKXSAKSA-N 2 1 302.462 3.035 20 0 DGADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000669540453 547650638 /nfs/dbraw/zinc/65/06/38/547650638.db2.gz NYJFCKCPJAUBSC-IHPCNDPISA-N 2 1 314.473 3.023 20 0 DGADMP CC(C)C1CCC(C[NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000671708352 547812492 /nfs/dbraw/zinc/81/24/92/547812492.db2.gz ZXWOJMWJWPEPEF-UHFFFAOYSA-N 2 1 309.542 3.066 20 0 DGADMP Cc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)ncn1 ZINC000671754326 547827764 /nfs/dbraw/zinc/82/77/64/547827764.db2.gz YGAHBGMDVBPJBO-UHFFFAOYSA-N 2 1 324.472 3.318 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000671770548 547830789 /nfs/dbraw/zinc/83/07/89/547830789.db2.gz MJVBTPOSTMGIHG-IBGZPJMESA-N 2 1 307.526 3.248 20 0 DGADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000672624098 547897680 /nfs/dbraw/zinc/89/76/80/547897680.db2.gz FLNPLHTWBXGXQM-ZAWLATJESA-N 2 1 314.473 3.449 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000674070425 548029959 /nfs/dbraw/zinc/02/99/59/548029959.db2.gz OUIDPFGTKVKZEQ-QGZVFWFLSA-N 2 1 309.457 3.439 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccccn1 ZINC000675478315 548223026 /nfs/dbraw/zinc/22/30/26/548223026.db2.gz UETRECMAJJFNPS-YRWFTTLQSA-N 2 1 309.457 3.328 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccccn1 ZINC000675478315 548223030 /nfs/dbraw/zinc/22/30/30/548223030.db2.gz UETRECMAJJFNPS-YRWFTTLQSA-N 2 1 309.457 3.328 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496479 548226444 /nfs/dbraw/zinc/22/64/44/548226444.db2.gz XZNPEIPEYIYWIX-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496479 548226447 /nfs/dbraw/zinc/22/64/47/548226447.db2.gz XZNPEIPEYIYWIX-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496479 548226450 /nfs/dbraw/zinc/22/64/50/548226450.db2.gz XZNPEIPEYIYWIX-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000675496479 548226452 /nfs/dbraw/zinc/22/64/52/548226452.db2.gz XZNPEIPEYIYWIX-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881442 548283520 /nfs/dbraw/zinc/28/35/20/548283520.db2.gz LHUWQWLOBJILMA-ICSRJNTNSA-N 2 1 314.473 3.297 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000675926453 548293788 /nfs/dbraw/zinc/29/37/88/548293788.db2.gz QMXNVBGXPBRWFV-SFHVURJKSA-N 2 1 323.912 3.407 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000676460773 548364073 /nfs/dbraw/zinc/36/40/73/548364073.db2.gz LFIGKPARAHJWIA-IBGZPJMESA-N 2 1 313.445 3.292 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677132459 548457907 /nfs/dbraw/zinc/45/79/07/548457907.db2.gz ZIZOXQKFVGSSNK-PIGZYNQJSA-N 2 1 305.372 3.383 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236953 548472886 /nfs/dbraw/zinc/47/28/86/548472886.db2.gz WYGWAMIJICCALI-ROUUACIJSA-N 2 1 302.462 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677816730 548561122 /nfs/dbraw/zinc/56/11/22/548561122.db2.gz AELHKRCEWTVMRD-UHFFFAOYSA-N 3 1 318.509 3.170 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678078469 548608429 /nfs/dbraw/zinc/60/84/29/548608429.db2.gz ZUWOZOBQASUYQV-ROUUACIJSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678078469 548608433 /nfs/dbraw/zinc/60/84/33/548608433.db2.gz ZUWOZOBQASUYQV-ROUUACIJSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678078469 548608435 /nfs/dbraw/zinc/60/84/35/548608435.db2.gz ZUWOZOBQASUYQV-ROUUACIJSA-N 2 1 301.478 3.201 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)n1 ZINC000678160209 548629007 /nfs/dbraw/zinc/62/90/07/548629007.db2.gz PNXHKTYFNDMEHZ-INIZCTEOSA-N 2 1 314.433 3.293 20 0 DGADMP CC(C)(C)Oc1cccc(CN2CCC[C@H](n3ccnc3)C2)n1 ZINC000678160209 548629011 /nfs/dbraw/zinc/62/90/11/548629011.db2.gz PNXHKTYFNDMEHZ-INIZCTEOSA-N 2 1 314.433 3.293 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nn(C)c3ccccc23)CC1 ZINC000678195378 548636762 /nfs/dbraw/zinc/63/67/62/548636762.db2.gz XEOGCOYIVFQOAY-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000678225900 548644513 /nfs/dbraw/zinc/64/45/13/548644513.db2.gz SIDIPWFZIMJLDX-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP Cc1ncsc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678238209 548650502 /nfs/dbraw/zinc/65/05/02/548650502.db2.gz UTSLDBSHYVGBAB-UHFFFAOYSA-N 2 1 319.474 3.024 20 0 DGADMP CC1(C)[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000678280429 548667442 /nfs/dbraw/zinc/66/74/42/548667442.db2.gz SNFQTGFRSBUGJB-KDURUIRLSA-N 2 1 314.473 3.249 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000678285212 548670419 /nfs/dbraw/zinc/67/04/19/548670419.db2.gz PREOECXUBMCTJX-AWEZNQCLSA-N 2 1 316.898 3.334 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000678285212 548670424 /nfs/dbraw/zinc/67/04/24/548670424.db2.gz PREOECXUBMCTJX-AWEZNQCLSA-N 2 1 316.898 3.334 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678284779 548671031 /nfs/dbraw/zinc/67/10/31/548671031.db2.gz HMDUXJSKMVJBMM-LJQANCHMSA-N 2 1 316.489 3.497 20 0 DGADMP COC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000678605858 548739975 /nfs/dbraw/zinc/73/99/75/548739975.db2.gz XNLIZGFIYYVPIT-KPFFTGBYSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678608713 548740510 /nfs/dbraw/zinc/74/05/10/548740510.db2.gz RRIQOWUJNAJKOD-JQHSSLGASA-N 2 1 302.462 3.090 20 0 DGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678891690 548788294 /nfs/dbraw/zinc/78/82/94/548788294.db2.gz KVRXNMWFWOBHPZ-IBGZPJMESA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H]1C[C@H](Nc2ccccc2C[NH+]2CCSCC2)CC[N@H+]1C ZINC000679142916 548837625 /nfs/dbraw/zinc/83/76/25/548837625.db2.gz NOSYBHMPRCYBJQ-DOTOQJQBSA-N 2 1 319.518 3.130 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1F ZINC000679361676 548886255 /nfs/dbraw/zinc/88/62/55/548886255.db2.gz UOJUJLJJCHQMLM-APWZRJJASA-N 2 1 320.452 3.341 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1F ZINC000679361676 548886257 /nfs/dbraw/zinc/88/62/57/548886257.db2.gz UOJUJLJJCHQMLM-APWZRJJASA-N 2 1 320.452 3.341 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680352721 549037892 /nfs/dbraw/zinc/03/78/92/549037892.db2.gz SCEZYGGBSVMEOG-UAFMIMERSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401062 549047903 /nfs/dbraw/zinc/04/79/03/549047903.db2.gz BZGZKWLOLSNRIC-ZIAGYGMSSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401062 549047906 /nfs/dbraw/zinc/04/79/06/549047906.db2.gz BZGZKWLOLSNRIC-ZIAGYGMSSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000681390443 549201374 /nfs/dbraw/zinc/20/13/74/549201374.db2.gz VCQDJVIWYQHNJD-HIFRSBDPSA-N 2 1 322.415 3.341 20 0 DGADMP Fc1cncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000681750438 549250688 /nfs/dbraw/zinc/25/06/88/549250688.db2.gz GKQPDGSZXKCNSR-UHFFFAOYSA-N 2 1 305.441 3.309 20 0 DGADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000683666624 549517879 /nfs/dbraw/zinc/51/78/79/549517879.db2.gz FDFKPZPOHSGRCW-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000683690917 549519884 /nfs/dbraw/zinc/51/98/84/549519884.db2.gz SSNJIRZUUNJZOI-LUPIEILUSA-N 2 1 310.445 3.003 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]n1 ZINC000683690917 549519888 /nfs/dbraw/zinc/51/98/88/549519888.db2.gz SSNJIRZUUNJZOI-LUPIEILUSA-N 2 1 310.445 3.003 20 0 DGADMP Fc1cccc(Oc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000683700102 549521558 /nfs/dbraw/zinc/52/15/58/549521558.db2.gz JQCAPTVQHCUOLA-HZPDHXFCSA-N 2 1 312.388 3.269 20 0 DGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000683818927 549540955 /nfs/dbraw/zinc/54/09/55/549540955.db2.gz LKAZTHPEGSRXJN-JUFRUHRKSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000683818927 549540958 /nfs/dbraw/zinc/54/09/58/549540958.db2.gz LKAZTHPEGSRXJN-JUFRUHRKSA-N 2 1 302.462 3.368 20 0 DGADMP Cc1ccnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000684004952 549567896 /nfs/dbraw/zinc/56/78/96/549567896.db2.gz ISTLHWJZLJCZSG-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773371 549691739 /nfs/dbraw/zinc/69/17/39/549691739.db2.gz KKRXEQSKSLUSFW-APWZRJJASA-N 3 1 307.526 3.103 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773371 549691741 /nfs/dbraw/zinc/69/17/41/549691741.db2.gz KKRXEQSKSLUSFW-APWZRJJASA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000685457420 549763098 /nfs/dbraw/zinc/76/30/98/549763098.db2.gz ZGKSHNOHSPOHHK-GGPKGHCWSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@@H+](CCCC1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457380 549763415 /nfs/dbraw/zinc/76/34/15/549763415.db2.gz YMTNXPWCNAGQEO-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000685470881 549767645 /nfs/dbraw/zinc/76/76/45/549767645.db2.gz ZKBARJNOZRNGIM-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000685470881 549767648 /nfs/dbraw/zinc/76/76/48/549767648.db2.gz ZKBARJNOZRNGIM-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000685470881 549767651 /nfs/dbraw/zinc/76/76/51/549767651.db2.gz ZKBARJNOZRNGIM-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000685850038 549799519 /nfs/dbraw/zinc/79/95/19/549799519.db2.gz MWSNSZDDVPSWCC-LJQANCHMSA-N 2 1 314.473 3.392 20 0 DGADMP CC[N@@H+]1CCC[C@@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000400 1196330621 /nfs/dbraw/zinc/33/06/21/1196330621.db2.gz ANSNUGPIYVHIDZ-SJORKVTESA-N 2 1 309.885 3.017 20 0 DGADMP CC[N@H+]1CCC[C@@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000400 1196330624 /nfs/dbraw/zinc/33/06/24/1196330624.db2.gz ANSNUGPIYVHIDZ-SJORKVTESA-N 2 1 309.885 3.017 20 0 DGADMP CC[N@@H+]1CCC[C@@H]1CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674882 574555179 /nfs/dbraw/zinc/55/51/79/574555179.db2.gz GUMMZLLEGJCWGA-QGZVFWFLSA-N 2 1 302.462 3.364 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674882 574555181 /nfs/dbraw/zinc/55/51/81/574555181.db2.gz GUMMZLLEGJCWGA-QGZVFWFLSA-N 2 1 302.462 3.364 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677920 574556375 /nfs/dbraw/zinc/55/63/75/574556375.db2.gz BWVKFUBRGNZQOE-MRXNPFEDSA-N 2 1 302.462 3.222 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CN2CCCC2)c1 ZINC000735563533 574707349 /nfs/dbraw/zinc/70/73/49/574707349.db2.gz VPFKXMWMGONBKJ-UXHICEINSA-N 2 1 316.489 3.369 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000735563533 574707354 /nfs/dbraw/zinc/70/73/54/574707354.db2.gz VPFKXMWMGONBKJ-UXHICEINSA-N 2 1 316.489 3.369 20 0 DGADMP C[C@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054606 574950622 /nfs/dbraw/zinc/95/06/22/574950622.db2.gz QSTPRPBMMJRPTD-XLIONFOSSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054606 574950623 /nfs/dbraw/zinc/95/06/23/574950623.db2.gz QSTPRPBMMJRPTD-XLIONFOSSA-N 2 1 316.489 3.306 20 0 DGADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398179777 575961277 /nfs/dbraw/zinc/96/12/77/575961277.db2.gz WTZBQMFKRYNPHD-OXQOHEQNSA-N 2 1 309.457 3.390 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398218172 575961662 /nfs/dbraw/zinc/96/16/62/575961662.db2.gz VKRIWAQUDOOLSW-FFGOWVMKSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398218172 575961663 /nfs/dbraw/zinc/96/16/63/575961663.db2.gz VKRIWAQUDOOLSW-FFGOWVMKSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852728718 620643377 /nfs/dbraw/zinc/64/33/77/620643377.db2.gz GERDGZSGOFOPDI-DLBZAZTESA-N 2 1 321.852 3.193 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806127424 617657898 /nfs/dbraw/zinc/65/78/98/617657898.db2.gz DZMLFOAHWLYXQM-HNNXBMFYSA-N 2 1 307.869 3.434 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(C)c2C2CC2)CC1 ZINC000891611583 617851917 /nfs/dbraw/zinc/85/19/17/617851917.db2.gz QGIVDNSOTVAYJJ-UHFFFAOYSA-N 2 1 318.509 3.241 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(CC)nc2C)CC1 ZINC000891611634 617851969 /nfs/dbraw/zinc/85/19/69/617851969.db2.gz SDSNKPFABRXWFN-UHFFFAOYSA-N 2 1 306.498 3.155 20 0 DGADMP CCSc1ccccc1C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000926202193 617855561 /nfs/dbraw/zinc/85/55/61/617855561.db2.gz CBZGOFMLXCINEX-CQSZACIVSA-N 2 1 303.475 3.295 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000892076584 617957388 /nfs/dbraw/zinc/95/73/88/617957388.db2.gz ZOXIQVBNDLTOBJ-SFHVURJKSA-N 2 1 315.461 3.094 20 0 DGADMP COCCCC1(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000892145271 617975160 /nfs/dbraw/zinc/97/51/60/617975160.db2.gz SOFODNCVKWEQEI-SFHVURJKSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926459121 618025730 /nfs/dbraw/zinc/02/57/30/618025730.db2.gz RLGAQPZXZQPUOJ-ZHALLVOQSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926459121 618025735 /nfs/dbraw/zinc/02/57/35/618025735.db2.gz RLGAQPZXZQPUOJ-ZHALLVOQSA-N 2 1 320.525 3.150 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000892449395 618069506 /nfs/dbraw/zinc/06/95/06/618069506.db2.gz RJWVQBJEXHRLPU-HNNXBMFYSA-N 2 1 306.498 3.435 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000892449395 618069510 /nfs/dbraw/zinc/06/95/10/618069510.db2.gz RJWVQBJEXHRLPU-HNNXBMFYSA-N 2 1 306.498 3.435 20 0 DGADMP CC(C)CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926673907 618082876 /nfs/dbraw/zinc/08/28/76/618082876.db2.gz MAIHNDWSVZWDTO-MOPGFXCFSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926673907 618082878 /nfs/dbraw/zinc/08/28/78/618082878.db2.gz MAIHNDWSVZWDTO-MOPGFXCFSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000926688943 618088891 /nfs/dbraw/zinc/08/88/91/618088891.db2.gz HZMDWTCBDJCFCQ-MOPGFXCFSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892520637 618097266 /nfs/dbraw/zinc/09/72/66/618097266.db2.gz BFGURZRUSZPOMG-SECBINFHSA-N 2 1 318.368 3.093 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000892585974 618113129 /nfs/dbraw/zinc/11/31/29/618113129.db2.gz ZJTGKZOKQODJSV-KFWWJZLASA-N 2 1 317.315 3.404 20 0 DGADMP CCc1onc(C)c1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000892588739 618113597 /nfs/dbraw/zinc/11/35/97/618113597.db2.gz JPAUZPYYHRKPFQ-GASCZTMLSA-N 2 1 307.482 3.393 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000892607315 618118202 /nfs/dbraw/zinc/11/82/02/618118202.db2.gz QXACKHTXSPWQME-UHFFFAOYSA-N 2 1 316.489 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nccn2C2CC2)c1 ZINC000892696414 618141090 /nfs/dbraw/zinc/14/10/90/618141090.db2.gz IQAYZPCLPIFCLG-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nccn2C2CC2)c1 ZINC000892696414 618141092 /nfs/dbraw/zinc/14/10/92/618141092.db2.gz IQAYZPCLPIFCLG-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CCCCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000854233312 620787073 /nfs/dbraw/zinc/78/70/73/620787073.db2.gz XTYMCBCAGNEZIK-INIZCTEOSA-N 2 1 314.433 3.052 20 0 DGADMP C[C@H]1C[C@@H](Nc2nccn3cncc23)CC[N@H+]1Cc1ccccc1 ZINC000892848052 618327557 /nfs/dbraw/zinc/32/75/57/618327557.db2.gz QUUWNVKDKICFPW-RDJZCZTQSA-N 2 1 321.428 3.194 20 0 DGADMP COC1CCC(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000894455693 618340102 /nfs/dbraw/zinc/34/01/02/618340102.db2.gz HNIAAXGGXVBQNN-UHFFFAOYSA-N 2 1 304.478 3.385 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000894478661 618349703 /nfs/dbraw/zinc/34/97/03/618349703.db2.gz CZUDTHGBJXMSIQ-OAHLLOKOSA-N 2 1 307.869 3.207 20 0 DGADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000925504092 618422333 /nfs/dbraw/zinc/42/23/33/618422333.db2.gz PHULLZBGFLVXJA-MRXNPFEDSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925513326 618451327 /nfs/dbraw/zinc/45/13/27/618451327.db2.gz JDQSTKWGNYNQBQ-PKOBYXMFSA-N 3 1 303.494 3.321 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925513326 618451336 /nfs/dbraw/zinc/45/13/36/618451336.db2.gz JDQSTKWGNYNQBQ-PKOBYXMFSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925513326 618451344 /nfs/dbraw/zinc/45/13/44/618451344.db2.gz JDQSTKWGNYNQBQ-PKOBYXMFSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000925079721 618457323 /nfs/dbraw/zinc/45/73/23/618457323.db2.gz NEVRYQGGZBIQHZ-ZACQAIPSSA-N 2 1 316.489 3.473 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851299 618476421 /nfs/dbraw/zinc/47/64/21/618476421.db2.gz PHOPMZCSHWVLSH-QGZVFWFLSA-N 2 1 302.443 3.135 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851299 618476423 /nfs/dbraw/zinc/47/64/23/618476423.db2.gz PHOPMZCSHWVLSH-QGZVFWFLSA-N 2 1 302.443 3.135 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851299 618476424 /nfs/dbraw/zinc/47/64/24/618476424.db2.gz PHOPMZCSHWVLSH-QGZVFWFLSA-N 2 1 302.443 3.135 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851299 618476427 /nfs/dbraw/zinc/47/64/27/618476427.db2.gz PHOPMZCSHWVLSH-QGZVFWFLSA-N 2 1 302.443 3.135 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2(Br)CC2)C1 ZINC000925588732 618501728 /nfs/dbraw/zinc/50/17/28/618501728.db2.gz STBQDNWKISFMPU-ZIAGYGMSSA-N 2 1 317.315 3.260 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000925639325 618517415 /nfs/dbraw/zinc/51/74/15/618517415.db2.gz BLFRZRIXFWHWAX-DZJNRPSUSA-N 2 1 303.494 3.173 20 0 DGADMP C[C@@H](N)[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676582 618526898 /nfs/dbraw/zinc/52/68/98/618526898.db2.gz KGRVCLLZKCWWPZ-MLGOLLRUSA-N 2 1 323.362 3.321 20 0 DGADMP COC1CCC(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000895114020 618541256 /nfs/dbraw/zinc/54/12/56/618541256.db2.gz CYHGWVJSDOOKAP-MLFFRYNPSA-N 2 1 316.489 3.127 20 0 DGADMP [NH3+][C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C12CCC2 ZINC000925721775 618551327 /nfs/dbraw/zinc/55/13/27/618551327.db2.gz FTQMBUPHTFEOMY-OAGGEKHMSA-N 2 1 306.837 3.063 20 0 DGADMP C[C@@H](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291880 618588723 /nfs/dbraw/zinc/58/87/23/618588723.db2.gz ISKOAPHTGDUUEA-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291880 618588724 /nfs/dbraw/zinc/58/87/24/618588724.db2.gz ISKOAPHTGDUUEA-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(Cl)n1 ZINC000925768034 618611573 /nfs/dbraw/zinc/61/15/73/618611573.db2.gz YKUMTMUHYPKTDW-NSHDSACASA-N 2 1 304.825 3.056 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCCC2 ZINC000925777805 618616489 /nfs/dbraw/zinc/61/64/89/618616489.db2.gz HHTZNTSJHBWJFA-DYVFJYSZSA-N 2 1 308.416 3.461 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)cc1 ZINC000925845904 618644545 /nfs/dbraw/zinc/64/45/45/618644545.db2.gz PRRDBDNRIZKEEB-INIZCTEOSA-N 2 1 321.534 3.135 20 0 DGADMP Cc1ccccc1[C@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000893913059 618675458 /nfs/dbraw/zinc/67/54/58/618675458.db2.gz LXXBWRUNKUEJTG-HBAMERQHSA-N 2 1 315.505 3.201 20 0 DGADMP COCc1c(C)cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000894021807 618694054 /nfs/dbraw/zinc/69/40/54/618694054.db2.gz WLUWBFQMBQIYJV-QGZVFWFLSA-N 2 1 304.478 3.142 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C\c1cccc(F)c1 ZINC000894094536 618708135 /nfs/dbraw/zinc/70/81/35/618708135.db2.gz LXRWHNGIMADGAA-FRSNOSKGSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C\c1cccc(F)c1 ZINC000894094536 618708138 /nfs/dbraw/zinc/70/81/38/618708138.db2.gz LXRWHNGIMADGAA-FRSNOSKGSA-N 2 1 318.436 3.022 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000894133554 618717237 /nfs/dbraw/zinc/71/72/37/618717237.db2.gz DRHGXKKKBOCHEK-KRWDZBQOSA-N 2 1 313.420 3.141 20 0 DGADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000894180553 618725085 /nfs/dbraw/zinc/72/50/85/618725085.db2.gz PBMQOFBMSPLSQC-AWEZNQCLSA-N 2 1 324.490 3.279 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c(C)ccnc2N)CC1 ZINC000894188462 618726281 /nfs/dbraw/zinc/72/62/81/618726281.db2.gz YVSFAZRZVIISAW-UHFFFAOYSA-N 2 1 324.472 3.035 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961606 618750523 /nfs/dbraw/zinc/75/05/23/618750523.db2.gz WRXPOXYHDVGRGI-HOTGVXAUSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961606 618750524 /nfs/dbraw/zinc/75/05/24/618750524.db2.gz WRXPOXYHDVGRGI-HOTGVXAUSA-N 2 1 304.482 3.379 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CSC3)CC23CC3)cc1 ZINC000895423424 618783581 /nfs/dbraw/zinc/78/35/81/618783581.db2.gz IZKDFXHLJVCSTL-QGZVFWFLSA-N 2 1 302.487 3.136 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CSC3)CC23CC3)cc1 ZINC000895423424 618783582 /nfs/dbraw/zinc/78/35/82/618783582.db2.gz IZKDFXHLJVCSTL-QGZVFWFLSA-N 2 1 302.487 3.136 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508131 618792678 /nfs/dbraw/zinc/79/26/78/618792678.db2.gz FSCWOROEMINBHL-QAPCUYQASA-N 2 1 304.482 3.160 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508131 618792680 /nfs/dbraw/zinc/79/26/80/618792680.db2.gz FSCWOROEMINBHL-QAPCUYQASA-N 2 1 304.482 3.160 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCN1c1cc[nH+]cc1 ZINC000895557900 618798560 /nfs/dbraw/zinc/79/85/60/618798560.db2.gz SJLZPXASVHLNDB-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCN1c1cc[nH+]cc1 ZINC000895557379 618798587 /nfs/dbraw/zinc/79/85/87/618798587.db2.gz OOTJDMXQEKWWCN-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP Cc1cc(F)ncc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000895862140 618840809 /nfs/dbraw/zinc/84/08/09/618840809.db2.gz VQELGBLTJKYEMG-UHFFFAOYSA-N 2 1 307.457 3.329 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC000896054132 618868762 /nfs/dbraw/zinc/86/87/62/618868762.db2.gz FMFHZPOALVMGHJ-MRXNPFEDSA-N 2 1 307.507 3.048 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](CCN(C)C)c2cccnc2)CS1 ZINC000896720966 618948140 /nfs/dbraw/zinc/94/81/40/618948140.db2.gz KIROQTPZSQQDKI-ZACQAIPSSA-N 2 1 307.507 3.194 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1cccnc1 ZINC000896720664 618948167 /nfs/dbraw/zinc/94/81/67/618948167.db2.gz INCZXCMJTFDHJL-YLJYHZDGSA-N 2 1 309.457 3.394 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3ccccc3C2)s1 ZINC000897709459 619174630 /nfs/dbraw/zinc/17/46/30/619174630.db2.gz PYGBXJYQSYDJBV-MRXNPFEDSA-N 2 1 315.486 3.242 20 0 DGADMP OCCC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000898014505 619205594 /nfs/dbraw/zinc/20/55/94/619205594.db2.gz CVKRPTPUFAGTRZ-UNFQPLIOSA-N 2 1 314.473 3.105 20 0 DGADMP OCCC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000898014505 619205597 /nfs/dbraw/zinc/20/55/97/619205597.db2.gz CVKRPTPUFAGTRZ-UNFQPLIOSA-N 2 1 314.473 3.105 20 0 DGADMP FC1(F)CC[C@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000898015187 619206222 /nfs/dbraw/zinc/20/62/22/619206222.db2.gz WDKXJLBDNJXUHA-ZBFHGGJFSA-N 2 1 316.436 3.045 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000898179917 619223180 /nfs/dbraw/zinc/22/31/80/619223180.db2.gz PPOAJROGCBHXET-INIZCTEOSA-N 2 1 318.509 3.454 20 0 DGADMP Cc1ncccc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898253605 619228685 /nfs/dbraw/zinc/22/86/85/619228685.db2.gz QESMTRHYIJHSFR-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000898308966 619235914 /nfs/dbraw/zinc/23/59/14/619235914.db2.gz HQFVMBVLVOKPDS-UHFFFAOYSA-N 2 1 306.479 3.158 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000898308966 619235916 /nfs/dbraw/zinc/23/59/16/619235916.db2.gz HQFVMBVLVOKPDS-UHFFFAOYSA-N 2 1 306.479 3.158 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)s2)cn1 ZINC000898308323 619235990 /nfs/dbraw/zinc/23/59/90/619235990.db2.gz XYDPQZSVZHWRLL-UHFFFAOYSA-N 2 1 320.506 3.168 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)s2)cn1 ZINC000898308323 619235992 /nfs/dbraw/zinc/23/59/92/619235992.db2.gz XYDPQZSVZHWRLL-UHFFFAOYSA-N 2 1 320.506 3.168 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000924629173 619248711 /nfs/dbraw/zinc/24/87/11/619248711.db2.gz OTQHHKXQFBSADK-OAHLLOKOSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000924656312 619254128 /nfs/dbraw/zinc/25/41/28/619254128.db2.gz HLEUYSKGIYYBEX-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000924656312 619254129 /nfs/dbraw/zinc/25/41/29/619254129.db2.gz HLEUYSKGIYYBEX-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000924683694 619256934 /nfs/dbraw/zinc/25/69/34/619256934.db2.gz AUQFEUAMHDQWBG-NEWSRXKRSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685751 619257411 /nfs/dbraw/zinc/25/74/11/619257411.db2.gz PVOLNXAFVLWPST-ZSYWTGECSA-N 2 1 310.526 3.395 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)C(C)C)CC1 ZINC000927068029 619261922 /nfs/dbraw/zinc/26/19/22/619261922.db2.gz SMSQESZWPDMCLJ-GOSISDBHSA-N 2 1 306.498 3.217 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518059 619283404 /nfs/dbraw/zinc/28/34/04/619283404.db2.gz XJGLMUUUIVAYBR-CVYSASLGSA-N 2 1 316.489 3.300 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520468 619284051 /nfs/dbraw/zinc/28/40/51/619284051.db2.gz ZHVREDNCLRVHBL-WCIQWLHISA-N 2 1 316.489 3.302 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751430 619316321 /nfs/dbraw/zinc/31/63/21/619316321.db2.gz KPYHBDBVOZUFMU-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751430 619316323 /nfs/dbraw/zinc/31/63/23/619316323.db2.gz KPYHBDBVOZUFMU-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CC[C@@H]1CNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899877775 619380345 /nfs/dbraw/zinc/38/03/45/619380345.db2.gz VUASCRFHFJIGDM-SNVBAGLBSA-N 2 1 311.307 3.249 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1(Cl)CC1 ZINC000924778642 619454961 /nfs/dbraw/zinc/45/49/61/619454961.db2.gz VLVAMLDRISJUMM-GJZGRUSLSA-N 2 1 322.880 3.157 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1(Cl)CC1 ZINC000924778642 619454963 /nfs/dbraw/zinc/45/49/63/619454963.db2.gz VLVAMLDRISJUMM-GJZGRUSLSA-N 2 1 322.880 3.157 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900953634 619461144 /nfs/dbraw/zinc/46/11/44/619461144.db2.gz BWVSNCFZPZMZJJ-SJLPKXTDSA-N 2 1 315.461 3.012 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C1 ZINC000902321416 619615255 /nfs/dbraw/zinc/61/52/55/619615255.db2.gz VSTFQAZTVCJOGX-HOTGVXAUSA-N 2 1 321.534 3.253 20 0 DGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902412775 619630224 /nfs/dbraw/zinc/63/02/24/619630224.db2.gz DOEAKJUNQMCXAT-SFHVURJKSA-N 2 1 314.404 3.199 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1OCCC ZINC000902414943 619637913 /nfs/dbraw/zinc/63/79/13/619637913.db2.gz HQYTXUHKPFZWAN-AWEZNQCLSA-N 2 1 306.450 3.406 20 0 DGADMP CNc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902478466 619638995 /nfs/dbraw/zinc/63/89/95/619638995.db2.gz WYGLBUICFBORTO-RDJZCZTQSA-N 2 1 301.478 3.471 20 0 DGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902731928 619667501 /nfs/dbraw/zinc/66/75/01/619667501.db2.gz SQQZXLIDWABBNH-SJLPKXTDSA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754210 619670915 /nfs/dbraw/zinc/67/09/15/619670915.db2.gz YMYUFYWRNUZULG-RYUDHWBXSA-N 2 1 301.356 3.093 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902754210 619670916 /nfs/dbraw/zinc/67/09/16/619670916.db2.gz YMYUFYWRNUZULG-RYUDHWBXSA-N 2 1 301.356 3.093 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902761636 619671912 /nfs/dbraw/zinc/67/19/12/619671912.db2.gz VSICMFVZJZMQFI-NOLQTVRTSA-N 2 1 320.521 3.146 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902761636 619671913 /nfs/dbraw/zinc/67/19/13/619671913.db2.gz VSICMFVZJZMQFI-NOLQTVRTSA-N 2 1 320.521 3.146 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761587 619672073 /nfs/dbraw/zinc/67/20/73/619672073.db2.gz SYMQTSFWQYOFTQ-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761587 619672074 /nfs/dbraw/zinc/67/20/74/619672074.db2.gz SYMQTSFWQYOFTQ-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000903017281 619701993 /nfs/dbraw/zinc/70/19/93/619701993.db2.gz MGFFQXUKVYQXDN-HOTGVXAUSA-N 2 1 318.461 3.164 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000903017775 619702187 /nfs/dbraw/zinc/70/21/87/619702187.db2.gz YEAQBNLSFWGVCU-INIZCTEOSA-N 2 1 312.461 3.397 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903017633 619702262 /nfs/dbraw/zinc/70/22/62/619702262.db2.gz QKYXQADPDAANFD-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccs1 ZINC000903059489 619707620 /nfs/dbraw/zinc/70/76/20/619707620.db2.gz YOHOIQSKHMGLFX-CVGRLMLNSA-N 2 1 319.518 3.098 20 0 DGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccs1 ZINC000903059489 619707622 /nfs/dbraw/zinc/70/76/22/619707622.db2.gz YOHOIQSKHMGLFX-CVGRLMLNSA-N 2 1 319.518 3.098 20 0 DGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccs1 ZINC000903059489 619707625 /nfs/dbraw/zinc/70/76/25/619707625.db2.gz YOHOIQSKHMGLFX-CVGRLMLNSA-N 2 1 319.518 3.098 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903068960 619714415 /nfs/dbraw/zinc/71/44/15/619714415.db2.gz AEHGYKOTXKVQKI-NZSAHSFTSA-N 2 1 308.510 3.293 20 0 DGADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903073113 619715451 /nfs/dbraw/zinc/71/54/51/619715451.db2.gz HZDJHVIWBCQKRA-DQXYTYHJSA-N 2 1 300.446 3.122 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Oc1cccc(F)c1 ZINC000903104791 619717570 /nfs/dbraw/zinc/71/75/70/619717570.db2.gz YHJMSZJBZHFPCV-ZVRJUHEZSA-N 2 1 318.436 3.340 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(CC2CCC2)c1 ZINC000903107417 619717821 /nfs/dbraw/zinc/71/78/21/619717821.db2.gz UCYHKSGSYJAIAW-JCGIZDLHSA-N 2 1 304.482 3.207 20 0 DGADMP Cc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)sc1C ZINC000903113054 619720032 /nfs/dbraw/zinc/72/00/32/619720032.db2.gz LIXLRELBAIOBQF-VHRNVKJDSA-N 2 1 305.491 3.050 20 0 DGADMP COC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903120488 619721125 /nfs/dbraw/zinc/72/11/25/619721125.db2.gz OZXWSFPWLTURNV-DQXYTYHJSA-N 2 1 300.446 3.122 20 0 DGADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903120488 619721126 /nfs/dbraw/zinc/72/11/26/619721126.db2.gz OZXWSFPWLTURNV-DQXYTYHJSA-N 2 1 300.446 3.122 20 0 DGADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903120488 619721128 /nfs/dbraw/zinc/72/11/28/619721128.db2.gz OZXWSFPWLTURNV-DQXYTYHJSA-N 2 1 300.446 3.122 20 0 DGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCCO1 ZINC000903127135 619722515 /nfs/dbraw/zinc/72/25/15/619722515.db2.gz WHQRQBCZEDFUCN-ONQFOCNCSA-N 2 1 306.494 3.329 20 0 DGADMP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903157679 619726899 /nfs/dbraw/zinc/72/68/99/619726899.db2.gz LYRXLSYSUUUTJU-DQXYTYHJSA-N 2 1 306.494 3.065 20 0 DGADMP C[C@@H](C[NH2+][C@@H](c1ccccc1F)C1CCOCC1)C[NH+](C)C ZINC000903174099 619729953 /nfs/dbraw/zinc/72/99/53/619729953.db2.gz DERHIPVTXWNNKZ-KBXCAEBGSA-N 2 1 308.441 3.081 20 0 DGADMP CC[C@@H](COCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178573 619730872 /nfs/dbraw/zinc/73/08/72/619730872.db2.gz XATOAULSYKTJBW-YPRXJGMQSA-N 2 1 320.399 3.091 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000903168554 619732714 /nfs/dbraw/zinc/73/27/14/619732714.db2.gz XIDOSKHTFJRPDP-ONQFOCNCSA-N 2 1 304.478 3.083 20 0 DGADMP C[C@@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@]1(F)Cl ZINC000903193920 619733749 /nfs/dbraw/zinc/73/37/49/619733749.db2.gz HYSABDDGJHXTPJ-HJGRSGLPSA-N 2 1 300.849 3.439 20 0 DGADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903186594 619736730 /nfs/dbraw/zinc/73/67/30/619736730.db2.gz RYVKTLHOTRAEPI-YGNXKPKLSA-N 2 1 312.457 3.046 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903187270 619736976 /nfs/dbraw/zinc/73/69/76/619736976.db2.gz ZMTVVEWSQXGCIZ-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC12CCSCC2 ZINC000903190518 619737284 /nfs/dbraw/zinc/73/72/84/619737284.db2.gz WNWASWCAACOMEO-ZBSSRIJBSA-N 2 1 306.519 3.267 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC000903232118 619744474 /nfs/dbraw/zinc/74/44/74/619744474.db2.gz TUHOMASNXIOQGR-UHFFFAOYSA-N 2 1 313.445 3.293 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000903441273 619775843 /nfs/dbraw/zinc/77/58/43/619775843.db2.gz KTUVIAQXCOSUNH-IPYPFGDCSA-N 2 1 301.459 3.289 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000903441273 619775844 /nfs/dbraw/zinc/77/58/44/619775844.db2.gz KTUVIAQXCOSUNH-IPYPFGDCSA-N 2 1 301.459 3.289 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000903441431 619775892 /nfs/dbraw/zinc/77/58/92/619775892.db2.gz RRCKPPDGKQZCAN-GSEOLPGOSA-N 2 1 316.489 3.210 20 0 DGADMP CC[N@H+](Cc1ccccc1Br)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903458643 619776744 /nfs/dbraw/zinc/77/67/44/619776744.db2.gz GDQKDNBKWNQIJG-OCCSQVGLSA-N 2 1 311.267 3.398 20 0 DGADMP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457732 619776881 /nfs/dbraw/zinc/77/68/81/619776881.db2.gz ZUAYFRWFBSUPKJ-UWWPHRKUSA-N 2 1 308.853 3.229 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000903460402 619776944 /nfs/dbraw/zinc/77/69/44/619776944.db2.gz ALTFGDFJYCGFAU-QRQLOZEOSA-N 2 1 313.445 3.029 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2(C3CCCCC3)CC2)CC1 ZINC000903447924 619778070 /nfs/dbraw/zinc/77/80/70/619778070.db2.gz GBRUGZTWHHBUBZ-SFHVURJKSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1CC[NH3+] ZINC000903497461 619782390 /nfs/dbraw/zinc/78/23/90/619782390.db2.gz XXGRWSBNIAZCMN-VXGBXAGGSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000903566707 619783722 /nfs/dbraw/zinc/78/37/22/619783722.db2.gz YUOKTVRPZJYBEI-HIFRSBDPSA-N 2 1 314.433 3.032 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Br ZINC000903717226 619803015 /nfs/dbraw/zinc/80/30/15/619803015.db2.gz KYUOOLCTUURFDE-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Br ZINC000903717226 619803019 /nfs/dbraw/zinc/80/30/19/619803019.db2.gz KYUOOLCTUURFDE-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718645 619803059 /nfs/dbraw/zinc/80/30/59/619803059.db2.gz QDLTZGHHBZKLLI-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723388 619804232 /nfs/dbraw/zinc/80/42/32/619804232.db2.gz WPPDHOWNVPHIJY-GDBMZVCRSA-N 2 1 320.502 3.216 20 0 DGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722695 619804464 /nfs/dbraw/zinc/80/44/64/619804464.db2.gz DFGAQHCGLWPXQQ-SJLPKXTDSA-N 2 1 302.462 3.147 20 0 DGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723389 619804482 /nfs/dbraw/zinc/80/44/82/619804482.db2.gz WPPDHOWNVPHIJY-GOEBONIOSA-N 2 1 320.502 3.216 20 0 DGADMP C(C1CC1)[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000903727368 619804810 /nfs/dbraw/zinc/80/48/10/619804810.db2.gz TUFBIUAHWVPQAC-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728927 619805639 /nfs/dbraw/zinc/80/56/39/619805639.db2.gz HTSJEABSAUHUFC-GUDVDZBRSA-N 2 1 302.462 3.084 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903727574 619805665 /nfs/dbraw/zinc/80/56/65/619805665.db2.gz VHNQBDPSVXUEKW-AQNXPRMDSA-N 2 1 314.473 3.025 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)cc1F ZINC000903765017 619809757 /nfs/dbraw/zinc/80/97/57/619809757.db2.gz DPBCGNYLNDADKE-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000903766702 619810094 /nfs/dbraw/zinc/81/00/94/619810094.db2.gz QXZSPKSRFUHUSV-ZWKOTPCHSA-N 2 1 306.494 3.047 20 0 DGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766940 619810116 /nfs/dbraw/zinc/81/01/16/619810116.db2.gz DGJOIQZQVGSWHF-HBFSDRIKSA-N 2 1 314.473 3.209 20 0 DGADMP CCCCc1noc([C@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903790604 619811053 /nfs/dbraw/zinc/81/10/53/619811053.db2.gz QWVRGDOSDMTYOY-ZDUSSCGKSA-N 2 1 308.470 3.170 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903777703 619812361 /nfs/dbraw/zinc/81/23/61/619812361.db2.gz CPFBDDCOSHBVRV-MSOLQXFVSA-N 2 1 306.494 3.047 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903784238 619813542 /nfs/dbraw/zinc/81/35/42/619813542.db2.gz MFYACKHLNMRXHI-HOTGVXAUSA-N 2 1 307.507 3.096 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)nc1 ZINC000903831087 619820855 /nfs/dbraw/zinc/82/08/55/619820855.db2.gz DAPBZGRBWGFUBL-FQEVSTJZSA-N 2 1 323.440 3.073 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccc(Cl)cc1Cl)C2 ZINC000903850259 619823519 /nfs/dbraw/zinc/82/35/19/619823519.db2.gz NEWTVONICYUBFL-UHTWSYAYSA-N 2 1 315.244 3.184 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccc(Cl)cc1Cl)C2 ZINC000903850259 619823524 /nfs/dbraw/zinc/82/35/24/619823524.db2.gz NEWTVONICYUBFL-UHTWSYAYSA-N 2 1 315.244 3.184 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903888620 619826112 /nfs/dbraw/zinc/82/61/12/619826112.db2.gz HLVSRHYKLSCPSL-ASDXVTRWSA-N 2 1 300.446 3.015 20 0 DGADMP COCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)c1ccccc1 ZINC000903885589 619828655 /nfs/dbraw/zinc/82/86/55/619828655.db2.gz MJULWQUMMSFKJJ-WELJNPPOSA-N 2 1 302.462 3.227 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903894787 619829906 /nfs/dbraw/zinc/82/99/06/619829906.db2.gz DTXOTYZJZIZXKR-HXUWFJFHSA-N 2 1 307.441 3.373 20 0 DGADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccsc2)O1 ZINC000903898802 619830687 /nfs/dbraw/zinc/83/06/87/619830687.db2.gz QBRMIQLSLDRXFH-SMMMKCNCSA-N 2 1 306.475 3.041 20 0 DGADMP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903907976 619832918 /nfs/dbraw/zinc/83/29/18/619832918.db2.gz BUQDPAKSFQGTSI-YWZLYKJASA-N 2 1 307.441 3.310 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903913150 619833687 /nfs/dbraw/zinc/83/36/87/619833687.db2.gz NOQGAANXDAPJTD-ZKVVCRCRSA-N 2 1 322.880 3.490 20 0 DGADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCc2ccc(F)cc21 ZINC000903932237 619836682 /nfs/dbraw/zinc/83/66/82/619836682.db2.gz PHMIOMLJPJANLV-HILARFPUSA-N 2 1 302.437 3.318 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959858 619839871 /nfs/dbraw/zinc/83/98/71/619839871.db2.gz QCYSSPGOFKNYPN-IBGZPJMESA-N 2 1 318.509 3.221 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959858 619839873 /nfs/dbraw/zinc/83/98/73/619839873.db2.gz QCYSSPGOFKNYPN-IBGZPJMESA-N 2 1 318.509 3.221 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000903947494 619843946 /nfs/dbraw/zinc/84/39/46/619843946.db2.gz XNVCQJDOFUTVNK-UHFFFAOYSA-N 2 1 302.340 3.289 20 0 DGADMP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955173 619846644 /nfs/dbraw/zinc/84/66/44/619846644.db2.gz LYTROTSKOVOUQI-LBPRGKRZSA-N 2 1 308.372 3.330 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972403 619847454 /nfs/dbraw/zinc/84/74/54/619847454.db2.gz HTSMLUDXBKDXCS-OALUTQOASA-N 2 1 316.489 3.064 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000903974952 619848103 /nfs/dbraw/zinc/84/81/03/619848103.db2.gz XOYZWHXHIWQXGZ-PBHICJAKSA-N 2 1 322.880 3.192 20 0 DGADMP C[C@@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000903974954 619848214 /nfs/dbraw/zinc/84/82/14/619848214.db2.gz XOYZWHXHIWQXGZ-WMLDXEAASA-N 2 1 322.880 3.192 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904313672 619912088 /nfs/dbraw/zinc/91/20/88/619912088.db2.gz XROYWJOZRFABCP-IEBWSBKVSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1)C1CCCC1 ZINC000904385602 619919170 /nfs/dbraw/zinc/91/91/70/619919170.db2.gz ZWUAOGAKCZBQHI-YJBOKZPZSA-N 2 1 316.493 3.338 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000904406399 619920094 /nfs/dbraw/zinc/92/00/94/619920094.db2.gz SFGKTNZHNJRHPY-OLZOCXBDSA-N 2 1 311.267 3.223 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OC ZINC000904412020 619920758 /nfs/dbraw/zinc/92/07/58/619920758.db2.gz ZPVNHADRKBWXIO-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420517 619922085 /nfs/dbraw/zinc/92/20/85/619922085.db2.gz RHGVRJIFJGRBOK-RBUKOAKNSA-N 2 1 322.452 3.404 20 0 DGADMP Cc1c(C[NH2+]CCC[N@H+](C)C(C)C)sc2nc(C)nc(C)c12 ZINC000915226888 620574795 /nfs/dbraw/zinc/57/47/95/620574795.db2.gz VCAIEFFOYRBNPI-UHFFFAOYSA-N 2 1 320.506 3.436 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000153697155 620594641 /nfs/dbraw/zinc/59/46/41/620594641.db2.gz YQEIBURXGSPCAM-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921500290 620874800 /nfs/dbraw/zinc/87/48/00/620874800.db2.gz CRGDPXNJRRWWES-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921536835 620904521 /nfs/dbraw/zinc/90/45/21/620904521.db2.gz RYIJIAOUYXRJHB-QGZVFWFLSA-N 2 1 318.509 3.427 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921580636 620910421 /nfs/dbraw/zinc/91/04/21/620910421.db2.gz DSOYXUWWKMKVFE-VSZNYVQBSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921580636 620910422 /nfs/dbraw/zinc/91/04/22/620910422.db2.gz DSOYXUWWKMKVFE-VSZNYVQBSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921689355 620934667 /nfs/dbraw/zinc/93/46/67/620934667.db2.gz SKXPLGKFNHLQBG-MRXNPFEDSA-N 2 1 301.478 3.170 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921689355 620934670 /nfs/dbraw/zinc/93/46/70/620934670.db2.gz SKXPLGKFNHLQBG-MRXNPFEDSA-N 2 1 301.478 3.170 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)C(C)(C)C ZINC000921747847 620943798 /nfs/dbraw/zinc/94/37/98/620943798.db2.gz DWAHKHNGGFOEBM-KRWDZBQOSA-N 2 1 306.498 3.139 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551843 621003766 /nfs/dbraw/zinc/00/37/66/621003766.db2.gz AWWGQZDDSBJFRO-VQIMIIECSA-N 2 1 319.493 3.423 20 0 DGADMP CCC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551843 621003770 /nfs/dbraw/zinc/00/37/70/621003770.db2.gz AWWGQZDDSBJFRO-VQIMIIECSA-N 2 1 319.493 3.423 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3C[C@H]3C)C2)ccn1 ZINC000856559148 621004407 /nfs/dbraw/zinc/00/44/07/621004407.db2.gz NKCQBMPHOVLHNO-GPMSIDNRSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3C[C@H]3C)C2)ccn1 ZINC000856559148 621004411 /nfs/dbraw/zinc/00/44/11/621004411.db2.gz NKCQBMPHOVLHNO-GPMSIDNRSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3C[C@H]3C)C2)ccn1 ZINC000856559148 621004414 /nfs/dbraw/zinc/00/44/14/621004414.db2.gz NKCQBMPHOVLHNO-GPMSIDNRSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCC3)C2)ccn1 ZINC000856598548 621007004 /nfs/dbraw/zinc/00/70/04/621007004.db2.gz BNPVQXQMHCTWDC-LJQANCHMSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCC3)C2)ccn1 ZINC000856598548 621007008 /nfs/dbraw/zinc/00/70/08/621007008.db2.gz BNPVQXQMHCTWDC-LJQANCHMSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCC3)C2)ccn1 ZINC000856598548 621007012 /nfs/dbraw/zinc/00/70/12/621007012.db2.gz BNPVQXQMHCTWDC-LJQANCHMSA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2Cl)c1 ZINC000856767428 621017881 /nfs/dbraw/zinc/01/78/81/621017881.db2.gz NXOSNOUELIZOOM-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2Cl)c1 ZINC000856767428 621017884 /nfs/dbraw/zinc/01/78/84/621017884.db2.gz NXOSNOUELIZOOM-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000922387816 621032469 /nfs/dbraw/zinc/03/24/69/621032469.db2.gz BBZUMJMKTQIISW-BWAKRKKZSA-N 2 1 320.521 3.048 20 0 DGADMP Fc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000922705728 621086801 /nfs/dbraw/zinc/08/68/01/621086801.db2.gz JVNIQDKJJQOXGK-MSOLQXFVSA-N 2 1 302.437 3.464 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819885 621105117 /nfs/dbraw/zinc/10/51/17/621105117.db2.gz DSXWRXMVELJEAG-RTBURBONSA-N 2 1 316.489 3.324 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922819885 621105118 /nfs/dbraw/zinc/10/51/18/621105118.db2.gz DSXWRXMVELJEAG-RTBURBONSA-N 2 1 316.489 3.324 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2OCCc3ccccc32)CC1(C)C ZINC000922958183 621138198 /nfs/dbraw/zinc/13/81/98/621138198.db2.gz PRKDRFUDOQWSEJ-SJLPKXTDSA-N 2 1 302.462 3.153 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2OCCc3ccccc32)CC1(C)C ZINC000922958181 621138333 /nfs/dbraw/zinc/13/83/33/621138333.db2.gz PRKDRFUDOQWSEJ-AEFFLSMTSA-N 2 1 302.462 3.153 20 0 DGADMP Fc1ccccc1[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923313423 621174325 /nfs/dbraw/zinc/17/43/25/621174325.db2.gz ZBOWPCNDJOTKBV-IYHXRUFHSA-N 2 1 318.436 3.120 20 0 DGADMP Fc1ccccc1[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923313423 621174328 /nfs/dbraw/zinc/17/43/28/621174328.db2.gz ZBOWPCNDJOTKBV-IYHXRUFHSA-N 2 1 318.436 3.120 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000923311887 621175509 /nfs/dbraw/zinc/17/55/09/621175509.db2.gz ALGCKWFMKWQAME-OTHOMEOQSA-N 2 1 314.473 3.405 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923349219 621177610 /nfs/dbraw/zinc/17/76/10/621177610.db2.gz QTDGUSAGHVANMW-NHYWBVRUSA-N 2 1 317.260 3.088 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923349218 621177810 /nfs/dbraw/zinc/17/78/10/621177810.db2.gz QTDGUSAGHVANMW-IAQYHMDHSA-N 2 1 317.260 3.088 20 0 DGADMP C(C[NH2+]C1CC1)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000923381201 621180499 /nfs/dbraw/zinc/18/04/99/621180499.db2.gz GAWGIUHYPIBIDQ-UHFFFAOYSA-N 2 1 319.518 3.343 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(C)ccc1C ZINC000858362139 621181385 /nfs/dbraw/zinc/18/13/85/621181385.db2.gz PFBFEGIPZFTUDK-AOIWGVFYSA-N 2 1 302.462 3.207 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(C)ccc1C ZINC000858362139 621181388 /nfs/dbraw/zinc/18/13/88/621181388.db2.gz PFBFEGIPZFTUDK-AOIWGVFYSA-N 2 1 302.462 3.207 20 0 DGADMP CCC1([NH+]2CCCC2)CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923410810 621182129 /nfs/dbraw/zinc/18/21/29/621182129.db2.gz JVJMKVFQDSGVAO-YQQQUEKLSA-N 2 1 319.537 3.248 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923426738 621183022 /nfs/dbraw/zinc/18/30/22/621183022.db2.gz PQGSWGVUFLODSY-FQEVSTJZSA-N 2 1 314.473 3.194 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923428033 621183712 /nfs/dbraw/zinc/18/37/12/621183712.db2.gz WZCKOFVMDNFFRP-KBAYOESNSA-N 2 1 314.473 3.022 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482080 621187351 /nfs/dbraw/zinc/18/73/51/621187351.db2.gz NVQGGEXXJBCRQR-NWDGAFQWSA-N 2 1 302.340 3.317 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1C[NH3+] ZINC000923502443 621188686 /nfs/dbraw/zinc/18/86/86/621188686.db2.gz ZCYWZQOOXYDPQV-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1C[NH3+] ZINC000923497460 621188743 /nfs/dbraw/zinc/18/87/43/621188743.db2.gz LVEIOCMHABYVNO-VXGBXAGGSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1C[NH3+] ZINC000923497489 621188758 /nfs/dbraw/zinc/18/87/58/621188758.db2.gz MJCKRKRTKZYPKZ-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923497972 621188892 /nfs/dbraw/zinc/18/88/92/621188892.db2.gz NTNQUGVWAMQQNN-OCCSQVGLSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1C[NH3+] ZINC000923498982 621189376 /nfs/dbraw/zinc/18/93/76/621189376.db2.gz JTSJZKOTAAQOEE-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501110 621189421 /nfs/dbraw/zinc/18/94/21/621189421.db2.gz YYXXYAFDQKBXMU-OCCSQVGLSA-N 2 1 319.449 3.366 20 0 DGADMP CCc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923507831 621190353 /nfs/dbraw/zinc/19/03/53/621190353.db2.gz QOIHGWABZBLGFN-CQSZACIVSA-N 2 1 307.507 3.307 20 0 DGADMP c1oc(C2CC2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508350 621190581 /nfs/dbraw/zinc/19/05/81/621190581.db2.gz USJXYACYHGDPHJ-AWEZNQCLSA-N 2 1 303.450 3.154 20 0 DGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000858439987 621191224 /nfs/dbraw/zinc/19/12/24/621191224.db2.gz VDWZFDKVCGYFPX-YJBOKZPZSA-N 2 1 311.429 3.039 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000858439986 621191259 /nfs/dbraw/zinc/19/12/59/621191259.db2.gz VDWZFDKVCGYFPX-QAPCUYQASA-N 2 1 311.429 3.039 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000858491067 621197608 /nfs/dbraw/zinc/19/76/08/621197608.db2.gz XADJGSBWTNOYFV-FXAWDEMLSA-N 2 1 316.489 3.476 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491104 621197641 /nfs/dbraw/zinc/19/76/41/621197641.db2.gz YKBUGXDODVDGCF-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491104 621197642 /nfs/dbraw/zinc/19/76/42/621197642.db2.gz YKBUGXDODVDGCF-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)CC2CCCC2)cc1 ZINC000859211920 621260683 /nfs/dbraw/zinc/26/06/83/621260683.db2.gz CUMCFWUMKRQHDQ-IBGZPJMESA-N 2 1 304.478 3.121 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@H](O)c2ccccc2)cc1 ZINC000859211910 621260714 /nfs/dbraw/zinc/26/07/14/621260714.db2.gz CQELKUOAEIJGLD-FQEVSTJZSA-N 2 1 312.457 3.304 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc3ccccc3n2)cc1 ZINC000859212508 621261272 /nfs/dbraw/zinc/26/12/72/621261272.db2.gz HETALWWEOZFQPS-UHFFFAOYSA-N 2 1 320.440 3.323 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cc2ccccc2s1 ZINC000838978605 621309385 /nfs/dbraw/zinc/30/93/85/621309385.db2.gz ACCLTVXHKAERBS-INIZCTEOSA-N 2 1 316.470 3.151 20 0 DGADMP Cc1nc(C)c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000838996583 621311850 /nfs/dbraw/zinc/31/18/50/621311850.db2.gz NLYLZBHVXHSQRW-UHFFFAOYSA-N 2 1 322.412 3.162 20 0 DGADMP Fc1cccc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cnc12 ZINC000865419233 621916266 /nfs/dbraw/zinc/91/62/66/621916266.db2.gz RQCCZSHMZJROGP-UHFFFAOYSA-N 2 1 313.420 3.338 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cnc1Cl ZINC000865635828 621967655 /nfs/dbraw/zinc/96/76/55/621967655.db2.gz HNXSSSFWGHUSQI-ZDUSSCGKSA-N 2 1 311.832 3.086 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cnc1Cl ZINC000865635828 621967657 /nfs/dbraw/zinc/96/76/57/621967657.db2.gz HNXSSSFWGHUSQI-ZDUSSCGKSA-N 2 1 311.832 3.086 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000865634837 621967947 /nfs/dbraw/zinc/96/79/47/621967947.db2.gz HHZWUULPXJVGGL-MRXNPFEDSA-N 2 1 319.468 3.103 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000865634837 621967949 /nfs/dbraw/zinc/96/79/49/621967949.db2.gz HHZWUULPXJVGGL-MRXNPFEDSA-N 2 1 319.468 3.103 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876569 622014152 /nfs/dbraw/zinc/01/41/52/622014152.db2.gz KWVIRMBQUAJGLK-UHOSZYNNSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876569 622014153 /nfs/dbraw/zinc/01/41/53/622014153.db2.gz KWVIRMBQUAJGLK-UHOSZYNNSA-N 2 1 316.489 3.323 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238234 622073611 /nfs/dbraw/zinc/07/36/11/622073611.db2.gz NSXLGBBBFDDXJF-RYUDHWBXSA-N 2 1 307.825 3.474 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)C1 ZINC000866238234 622073612 /nfs/dbraw/zinc/07/36/12/622073612.db2.gz NSXLGBBBFDDXJF-RYUDHWBXSA-N 2 1 307.825 3.474 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000866265937 622079824 /nfs/dbraw/zinc/07/98/24/622079824.db2.gz AHBPZOBMPXGWNL-YLJYHZDGSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866313917 622091556 /nfs/dbraw/zinc/09/15/56/622091556.db2.gz JLKOCDAFBPOQJH-LLVKDONJSA-N 2 1 305.809 3.394 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000866455833 622121288 /nfs/dbraw/zinc/12/12/88/622121288.db2.gz LYTTWGREYYPVBA-PBWTXFEYSA-N 2 1 306.494 3.188 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000866486724 622125756 /nfs/dbraw/zinc/12/57/56/622125756.db2.gz OYORTISAQKQZOI-VDHUWJSZSA-N 2 1 304.503 3.381 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000866486724 622125757 /nfs/dbraw/zinc/12/57/57/622125757.db2.gz OYORTISAQKQZOI-VDHUWJSZSA-N 2 1 304.503 3.381 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000866543144 622136074 /nfs/dbraw/zinc/13/60/74/622136074.db2.gz RSPHGXYUCVTCCX-FRRDWIJNSA-N 2 1 310.429 3.134 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562228 622138333 /nfs/dbraw/zinc/13/83/33/622138333.db2.gz QFWLYYMGERNXCJ-AEFFLSMTSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866562228 622138335 /nfs/dbraw/zinc/13/83/35/622138335.db2.gz QFWLYYMGERNXCJ-AEFFLSMTSA-N 2 1 304.482 3.048 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866562556 622138939 /nfs/dbraw/zinc/13/89/39/622138939.db2.gz STKDBSCXDURMHH-MRXNPFEDSA-N 2 1 300.437 3.461 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866562556 622138942 /nfs/dbraw/zinc/13/89/42/622138942.db2.gz STKDBSCXDURMHH-MRXNPFEDSA-N 2 1 300.437 3.461 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582584 622142134 /nfs/dbraw/zinc/14/21/34/622142134.db2.gz GNERFTUYNJGPNG-IVMMDQJWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582584 622142136 /nfs/dbraw/zinc/14/21/36/622142136.db2.gz GNERFTUYNJGPNG-IVMMDQJWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582584 622142138 /nfs/dbraw/zinc/14/21/38/622142138.db2.gz GNERFTUYNJGPNG-IVMMDQJWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866582584 622142139 /nfs/dbraw/zinc/14/21/39/622142139.db2.gz GNERFTUYNJGPNG-IVMMDQJWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582584 622142141 /nfs/dbraw/zinc/14/21/41/622142141.db2.gz GNERFTUYNJGPNG-IVMMDQJWSA-N 2 1 310.388 3.375 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866635704 622151205 /nfs/dbraw/zinc/15/12/05/622151205.db2.gz CTCGXWNOADPLLD-JFRXWTBNSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866635704 622151207 /nfs/dbraw/zinc/15/12/07/622151207.db2.gz CTCGXWNOADPLLD-JFRXWTBNSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664724 622154287 /nfs/dbraw/zinc/15/42/87/622154287.db2.gz KXHAKQYVLGGXEE-KGLIPLIRSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664724 622154288 /nfs/dbraw/zinc/15/42/88/622154288.db2.gz KXHAKQYVLGGXEE-KGLIPLIRSA-N 2 1 323.868 3.036 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000866706244 622158449 /nfs/dbraw/zinc/15/84/49/622158449.db2.gz GTKYTSCRTGMEOJ-HNNXBMFYSA-N 2 1 315.383 3.297 20 0 DGADMP C(C1CCCCC1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000765040572 622241555 /nfs/dbraw/zinc/24/15/55/622241555.db2.gz XRWXRWGEJVECCV-VQTJNVASSA-N 2 1 319.537 3.248 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000765290393 622257323 /nfs/dbraw/zinc/25/73/23/622257323.db2.gz JLIDVGXUGJMEGZ-AEFFLSMTSA-N 2 1 304.478 3.338 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925494276 622265366 /nfs/dbraw/zinc/26/53/66/622265366.db2.gz KCVZFFDCUPKHJL-BHIYHBOVSA-N 2 1 313.489 3.086 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000767691768 622415720 /nfs/dbraw/zinc/41/57/20/622415720.db2.gz UELPPOMLENQZSA-QGZVFWFLSA-N 2 1 322.880 3.381 20 0 DGADMP C[C@@H](CC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1)n1ccnc1 ZINC000870731935 622504081 /nfs/dbraw/zinc/50/40/81/622504081.db2.gz CVSUUNWSLUTASE-DOTOQJQBSA-N 2 1 319.449 3.175 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1)C1CCCC1 ZINC000871667751 622662034 /nfs/dbraw/zinc/66/20/34/622662034.db2.gz PPPFTRPDGGBHGO-CJNGLKHVSA-N 2 1 313.449 3.082 20 0 DGADMP Cc1cc(F)ccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785852 622697097 /nfs/dbraw/zinc/69/70/97/622697097.db2.gz YHROQTUWPZYYJF-VHRNVKJDSA-N 2 1 305.397 3.005 20 0 DGADMP Cc1cc(F)ccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785852 622697099 /nfs/dbraw/zinc/69/70/99/622697099.db2.gz YHROQTUWPZYYJF-VHRNVKJDSA-N 2 1 305.397 3.005 20 0 DGADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000871785428 622697146 /nfs/dbraw/zinc/69/71/46/622697146.db2.gz TXMRYUNTDRQHMZ-GOOCMWNKSA-N 2 1 305.397 3.005 20 0 DGADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000871785428 622697151 /nfs/dbraw/zinc/69/71/51/622697151.db2.gz TXMRYUNTDRQHMZ-GOOCMWNKSA-N 2 1 305.397 3.005 20 0 DGADMP C1CCC2(C1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000872085602 622796243 /nfs/dbraw/zinc/79/62/43/622796243.db2.gz NYGLQVLCOFTFEQ-IRXDYDNUSA-N 2 1 306.494 3.475 20 0 DGADMP C1CCC2(C1)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000872085602 622796249 /nfs/dbraw/zinc/79/62/49/622796249.db2.gz NYGLQVLCOFTFEQ-IRXDYDNUSA-N 2 1 306.494 3.475 20 0 DGADMP CC1(C)CO[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000872106646 622808810 /nfs/dbraw/zinc/80/88/10/622808810.db2.gz JKVYGLWFQVWPPB-LJQANCHMSA-N 2 1 316.489 3.098 20 0 DGADMP FC(F)(F)c1coc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000872143362 622831746 /nfs/dbraw/zinc/83/17/46/622831746.db2.gz PULBIDKRNWQTTJ-CQSZACIVSA-N 2 1 302.340 3.262 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148479 622833103 /nfs/dbraw/zinc/83/31/03/622833103.db2.gz JIKBCUOJAGTRJI-FPMFFAJLSA-N 2 1 304.331 3.346 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148479 622833109 /nfs/dbraw/zinc/83/31/09/622833109.db2.gz JIKBCUOJAGTRJI-FPMFFAJLSA-N 2 1 304.331 3.346 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1C(F)(F)F ZINC000872148581 622833784 /nfs/dbraw/zinc/83/37/84/622833784.db2.gz KHFZXBQKXPXEFF-HZPDHXFCSA-N 2 1 308.347 3.409 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1C(F)(F)F ZINC000872148581 622833792 /nfs/dbraw/zinc/83/37/92/622833792.db2.gz KHFZXBQKXPXEFF-HZPDHXFCSA-N 2 1 308.347 3.409 20 0 DGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155127 622834783 /nfs/dbraw/zinc/83/47/83/622834783.db2.gz LRMNVMDDOFIWLH-MRXNPFEDSA-N 2 1 305.466 3.081 20 0 DGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCCCCC[NH3+] ZINC000872155510 622836214 /nfs/dbraw/zinc/83/62/14/622836214.db2.gz OBIORTHWSORBPN-HNNXBMFYSA-N 2 1 316.449 3.172 20 0 DGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155510 622836220 /nfs/dbraw/zinc/83/62/20/622836220.db2.gz OBIORTHWSORBPN-HNNXBMFYSA-N 2 1 316.449 3.172 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(F)ccc1OC(F)F ZINC000872155370 622836667 /nfs/dbraw/zinc/83/66/67/622836667.db2.gz LFUBTYZUXAWQFM-UHFFFAOYSA-N 2 1 304.356 3.378 20 0 DGADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155899 622837314 /nfs/dbraw/zinc/83/73/14/622837314.db2.gz AHNBIOUTPIDFLF-HLLBOEOZSA-N 2 1 302.466 3.157 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C12CCC2 ZINC000873207587 623074509 /nfs/dbraw/zinc/07/45/09/623074509.db2.gz XIGSFRODRCTBJG-SJORKVTESA-N 2 1 320.502 3.173 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C12CCC2 ZINC000873207585 623074564 /nfs/dbraw/zinc/07/45/64/623074564.db2.gz XIGSFRODRCTBJG-IRXDYDNUSA-N 2 1 320.502 3.173 20 0 DGADMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208460 623076359 /nfs/dbraw/zinc/07/63/59/623076359.db2.gz OAGLQSZWQXLPAI-DYVFJYSZSA-N 2 1 313.470 3.372 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000873225554 623080952 /nfs/dbraw/zinc/08/09/52/623080952.db2.gz SSFDUYBOQZGYEG-APWZRJJASA-N 2 1 302.462 3.264 20 0 DGADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231688 623084876 /nfs/dbraw/zinc/08/48/76/623084876.db2.gz ABDXTTRBDXTZMX-YJBOKZPZSA-N 2 1 318.509 3.102 20 0 DGADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000873232475 623085014 /nfs/dbraw/zinc/08/50/14/623085014.db2.gz RCPAKPRYVLTGIC-DOTOQJQBSA-N 2 1 317.477 3.215 20 0 DGADMP CC1(C)CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)[NH2+]C1 ZINC000873235420 623085516 /nfs/dbraw/zinc/08/55/16/623085516.db2.gz OGSBZFDYZQXYOU-KRWDZBQOSA-N 2 1 301.478 3.023 20 0 DGADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cccnc1Cl ZINC000873235657 623087230 /nfs/dbraw/zinc/08/72/30/623087230.db2.gz RGYZNYMGUPPZEO-ZFWWWQNUSA-N 2 1 303.837 3.346 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1OC ZINC000873248254 623090374 /nfs/dbraw/zinc/09/03/74/623090374.db2.gz BXYTVTPLNJGAKP-LBEMJPCMSA-N 2 1 304.434 3.028 20 0 DGADMP Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000873280919 623102017 /nfs/dbraw/zinc/10/20/17/623102017.db2.gz FELINIUHFCCXBW-NTZNESFSSA-N 2 1 316.342 3.034 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000774407734 623140863 /nfs/dbraw/zinc/14/08/63/623140863.db2.gz DBEQMPLGOYAGIZ-KSZLIROESA-N 2 1 322.880 3.490 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000774407734 623140866 /nfs/dbraw/zinc/14/08/66/623140866.db2.gz DBEQMPLGOYAGIZ-KSZLIROESA-N 2 1 322.880 3.490 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614261 623165430 /nfs/dbraw/zinc/16/54/30/623165430.db2.gz JCRODRXTZSPADQ-KBRIMQKVSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614261 623165434 /nfs/dbraw/zinc/16/54/34/623165434.db2.gz JCRODRXTZSPADQ-KBRIMQKVSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614261 623165438 /nfs/dbraw/zinc/16/54/38/623165438.db2.gz JCRODRXTZSPADQ-KBRIMQKVSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000774614261 623165441 /nfs/dbraw/zinc/16/54/41/623165441.db2.gz JCRODRXTZSPADQ-KBRIMQKVSA-N 2 1 310.869 3.178 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCCO ZINC000775689387 623314545 /nfs/dbraw/zinc/31/45/45/623314545.db2.gz KUMYKIGXDAVXFI-UYAOXDASSA-N 2 1 318.505 3.429 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCCO ZINC000775689387 623314548 /nfs/dbraw/zinc/31/45/48/623314548.db2.gz KUMYKIGXDAVXFI-UYAOXDASSA-N 2 1 318.505 3.429 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2cnc(N(CC)CC)s2)CC1 ZINC000125143065 623336384 /nfs/dbraw/zinc/33/63/84/623336384.db2.gz SLFKXUMDTTZHME-UHFFFAOYSA-N 2 1 324.538 3.343 20 0 DGADMP C[N@H+](Cc1cc2c(ccnc2Cl)o1)CC1CC[NH+](C)CC1 ZINC000876690512 623683039 /nfs/dbraw/zinc/68/30/39/623683039.db2.gz MJWGTUAUYBYCDP-UHFFFAOYSA-N 2 1 307.825 3.255 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000876924173 623744475 /nfs/dbraw/zinc/74/44/75/623744475.db2.gz NCGKINQIFGRYEM-MRUHUIDDSA-N 2 1 318.442 3.419 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000876930087 623746459 /nfs/dbraw/zinc/74/64/59/623746459.db2.gz SAWUICNISXUQDZ-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876933496 623747975 /nfs/dbraw/zinc/74/79/75/623747975.db2.gz QUZNSFJYADGRBA-LBPRGKRZSA-N 2 1 301.887 3.398 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876964276 623756567 /nfs/dbraw/zinc/75/65/67/623756567.db2.gz WVAAIZHNGUMGJI-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876964276 623756572 /nfs/dbraw/zinc/75/65/72/623756572.db2.gz WVAAIZHNGUMGJI-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437431 623770262 /nfs/dbraw/zinc/77/02/62/623770262.db2.gz FCJLCCZVVVDBCO-HAGHYFMRSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437432 623770625 /nfs/dbraw/zinc/77/06/25/623770625.db2.gz FCJLCCZVVVDBCO-IYWMVGAKSA-N 2 1 316.489 3.179 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877073763 623784495 /nfs/dbraw/zinc/78/44/95/623784495.db2.gz RVUNAMPSVXPRRM-ZFWWWQNUSA-N 2 1 319.399 3.475 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)OCC ZINC000877623245 623967067 /nfs/dbraw/zinc/96/70/67/623967067.db2.gz ZZPRLBTYWRLEPQ-AWEZNQCLSA-N 2 1 320.414 3.105 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)OCC ZINC000877623245 623967070 /nfs/dbraw/zinc/96/70/70/623967070.db2.gz ZZPRLBTYWRLEPQ-AWEZNQCLSA-N 2 1 320.414 3.105 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742874 624015572 /nfs/dbraw/zinc/01/55/72/624015572.db2.gz RUKISYQNLYZUNH-SMDDNHRTSA-N 2 1 321.877 3.476 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742874 624015575 /nfs/dbraw/zinc/01/55/75/624015575.db2.gz RUKISYQNLYZUNH-SMDDNHRTSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742874 624015578 /nfs/dbraw/zinc/01/55/78/624015578.db2.gz RUKISYQNLYZUNH-SMDDNHRTSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@H]21 ZINC000877742874 624015579 /nfs/dbraw/zinc/01/55/79/624015579.db2.gz RUKISYQNLYZUNH-SMDDNHRTSA-N 2 1 321.877 3.476 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878198720 624211931 /nfs/dbraw/zinc/21/19/31/624211931.db2.gz YHOUMMRBHMHMLZ-IYWMVGAKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878198720 624211932 /nfs/dbraw/zinc/21/19/32/624211932.db2.gz YHOUMMRBHMHMLZ-IYWMVGAKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878198720 624211934 /nfs/dbraw/zinc/21/19/34/624211934.db2.gz YHOUMMRBHMHMLZ-IYWMVGAKSA-N 2 1 314.473 3.323 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCCCC2 ZINC000782184008 624216210 /nfs/dbraw/zinc/21/62/10/624216210.db2.gz PQSLEFKVVRMIRP-MSOLQXFVSA-N 2 1 308.510 3.388 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608189 624321043 /nfs/dbraw/zinc/32/10/43/624321043.db2.gz KQRYQSURHUHIJW-MJIXASBWSA-N 2 1 314.473 3.464 20 0 DGADMP C[NH+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608189 624321044 /nfs/dbraw/zinc/32/10/44/624321044.db2.gz KQRYQSURHUHIJW-MJIXASBWSA-N 2 1 314.473 3.464 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]3C)CC2)cs1 ZINC000783242007 624329124 /nfs/dbraw/zinc/32/91/24/624329124.db2.gz YXBRGAOPCHNPNB-XJKSGUPXSA-N 2 1 307.507 3.306 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000783492379 624358289 /nfs/dbraw/zinc/35/82/89/624358289.db2.gz IVAZQNPNEDXFLK-VQIMIIECSA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000783492379 624358293 /nfs/dbraw/zinc/35/82/93/624358293.db2.gz IVAZQNPNEDXFLK-VQIMIIECSA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000783492379 624358296 /nfs/dbraw/zinc/35/82/96/624358296.db2.gz IVAZQNPNEDXFLK-VQIMIIECSA-N 2 1 320.477 3.222 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000879210229 624452264 /nfs/dbraw/zinc/45/22/64/624452264.db2.gz WYZMGMZSQHJCMD-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000784381663 624515934 /nfs/dbraw/zinc/51/59/34/624515934.db2.gz UQPIUEGXDZZMSK-UYAOXDASSA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000784381663 624515939 /nfs/dbraw/zinc/51/59/39/624515939.db2.gz UQPIUEGXDZZMSK-UYAOXDASSA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000784381663 624515947 /nfs/dbraw/zinc/51/59/47/624515947.db2.gz UQPIUEGXDZZMSK-UYAOXDASSA-N 2 1 315.505 3.380 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569082 624594628 /nfs/dbraw/zinc/59/46/28/624594628.db2.gz IZOWQSQHCHPHGO-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569082 624594635 /nfs/dbraw/zinc/59/46/35/624594635.db2.gz IZOWQSQHCHPHGO-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569082 624594637 /nfs/dbraw/zinc/59/46/37/624594637.db2.gz IZOWQSQHCHPHGO-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569082 624594643 /nfs/dbraw/zinc/59/46/43/624594643.db2.gz IZOWQSQHCHPHGO-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879569082 624594646 /nfs/dbraw/zinc/59/46/46/624594646.db2.gz IZOWQSQHCHPHGO-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879674333 624635181 /nfs/dbraw/zinc/63/51/81/624635181.db2.gz FTSKXCSAMJRREJ-RTBURBONSA-N 2 1 301.478 3.257 20 0 DGADMP Cc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(C)n1 ZINC000879704903 624645304 /nfs/dbraw/zinc/64/53/04/624645304.db2.gz XMQXZAMEQDYNBM-UHFFFAOYSA-N 2 1 303.494 3.498 20 0 DGADMP Cc1nc(CC[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000879704856 624645403 /nfs/dbraw/zinc/64/54/03/624645403.db2.gz VVGZLNMNTBMGGB-UHFFFAOYSA-N 2 1 309.523 3.294 20 0 DGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC1(Br)CC1 ZINC000879703370 624645466 /nfs/dbraw/zinc/64/54/66/624645466.db2.gz JWUCSBKILZWKKA-UHFFFAOYSA-N 2 1 317.315 3.214 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]c2c1 ZINC000785802030 624735433 /nfs/dbraw/zinc/73/54/33/624735433.db2.gz UTRRPHCJOYBIHU-JKSUJKDBSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]c2c1 ZINC000785802030 624735440 /nfs/dbraw/zinc/73/54/40/624735440.db2.gz UTRRPHCJOYBIHU-JKSUJKDBSA-N 2 1 311.429 3.127 20 0 DGADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142731 624806568 /nfs/dbraw/zinc/80/65/68/624806568.db2.gz TXINDTFTTKXHEB-ZWKOTPCHSA-N 2 1 317.864 3.463 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000880254612 624871198 /nfs/dbraw/zinc/87/11/98/624871198.db2.gz ITXSUXNDNBEKGL-IBGZPJMESA-N 2 1 316.489 3.451 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000880254760 624871694 /nfs/dbraw/zinc/87/16/94/624871694.db2.gz MZHVFIXDCDKSDD-UHFFFAOYSA-N 2 1 306.494 3.476 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CCN1c1cc[nH+]cc1 ZINC000880258580 624874787 /nfs/dbraw/zinc/87/47/87/624874787.db2.gz AWNAARPTPUSNRI-AEFFLSMTSA-N 2 1 315.461 3.084 20 0 DGADMP C[C@H]1C[N@@H+](CCCCC(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000880258979 624874863 /nfs/dbraw/zinc/87/48/63/624874863.db2.gz FPZQIADSWFAVAZ-ZDUSSCGKSA-N 2 1 301.356 3.325 20 0 DGADMP FC[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880299040 624902505 /nfs/dbraw/zinc/90/25/05/624902505.db2.gz NIFPMRZFYVOOTM-HZPDHXFCSA-N 2 1 308.416 3.269 20 0 DGADMP Cc1nccn1CCCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445565 624957464 /nfs/dbraw/zinc/95/74/64/624957464.db2.gz IUUXAWCZGQMOHE-UHFFFAOYSA-N 2 1 305.372 3.308 20 0 DGADMP Cc1nc2ccccn2c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517800 624971259 /nfs/dbraw/zinc/97/12/59/624971259.db2.gz XFBJVYADXMDDOY-UHFFFAOYSA-N 2 1 314.477 3.341 20 0 DGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000788492154 625196025 /nfs/dbraw/zinc/19/60/25/625196025.db2.gz ASKWZAZKUVEVGM-INIZCTEOSA-N 2 1 317.477 3.067 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788538069 625210949 /nfs/dbraw/zinc/21/09/49/625210949.db2.gz DWVUCDPAWNEKQU-OWCLPIDISA-N 2 1 305.466 3.196 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000883018030 625899221 /nfs/dbraw/zinc/89/92/21/625899221.db2.gz LKKJUTUISLDJIH-DOTOQJQBSA-N 2 1 304.478 3.331 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000883083585 625920537 /nfs/dbraw/zinc/92/05/37/625920537.db2.gz QUNDUTFNHNUQBO-UHFFFAOYSA-N 2 1 302.462 3.110 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883173325 625952475 /nfs/dbraw/zinc/95/24/75/625952475.db2.gz ILCCIYANBIXDKT-KXBFYZLASA-N 2 1 320.452 3.225 20 0 DGADMP CC(C)OC1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000796339753 626040148 /nfs/dbraw/zinc/04/01/48/626040148.db2.gz ZJYYUKQBTKKYGV-UHFFFAOYSA-N 2 1 311.495 3.031 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796670034 626071643 /nfs/dbraw/zinc/07/16/43/626071643.db2.gz AFLZOHXGUVRYQB-OKZBNKHCSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000796691803 626073482 /nfs/dbraw/zinc/07/34/82/626073482.db2.gz DNBIACSOXRJOKO-PVAVHDDUSA-N 2 1 306.425 3.057 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000796746121 626078200 /nfs/dbraw/zinc/07/82/00/626078200.db2.gz PPRWETSDIFRZBZ-HSALFYBXSA-N 3 1 321.553 3.495 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000796746121 626078203 /nfs/dbraw/zinc/07/82/03/626078203.db2.gz PPRWETSDIFRZBZ-HSALFYBXSA-N 2 1 321.553 3.495 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934771 626261290 /nfs/dbraw/zinc/26/12/90/626261290.db2.gz IJCXXXJTQMRVMI-PKOBYXMFSA-N 2 1 304.478 3.039 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798936195 626261425 /nfs/dbraw/zinc/26/14/25/626261425.db2.gz ZOVXYXKBNINDOL-BEFAXECRSA-N 2 1 312.461 3.281 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798936195 626261427 /nfs/dbraw/zinc/26/14/27/626261427.db2.gz ZOVXYXKBNINDOL-BEFAXECRSA-N 2 1 312.461 3.281 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179322 626277885 /nfs/dbraw/zinc/27/78/85/626277885.db2.gz IRSFXFSKDDLGIO-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)F)[C@@H](C)C1 ZINC000883258725 626626998 /nfs/dbraw/zinc/62/69/98/626626998.db2.gz MWYRMKHOOJZAJF-LSDHHAIUSA-N 2 1 320.468 3.394 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883261811 626627323 /nfs/dbraw/zinc/62/73/23/626627323.db2.gz NQAYXSWFMIOKFL-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883261811 626627328 /nfs/dbraw/zinc/62/73/28/626627328.db2.gz NQAYXSWFMIOKFL-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+](CCc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424535 626679615 /nfs/dbraw/zinc/67/96/15/626679615.db2.gz VZZTUUZNJPLZKQ-YIONKMFJSA-N 2 1 323.278 3.206 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)O2)cc1 ZINC000883427941 626680052 /nfs/dbraw/zinc/68/00/52/626680052.db2.gz HHAONGXYELCNAN-UFYCRDLUSA-N 2 1 314.473 3.372 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)O2)cc1 ZINC000883427940 626680165 /nfs/dbraw/zinc/68/01/65/626680165.db2.gz HHAONGXYELCNAN-SLFFLAALSA-N 2 1 314.473 3.372 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000883448255 626683745 /nfs/dbraw/zinc/68/37/45/626683745.db2.gz YXRFGVFIFXMQTK-SFHVURJKSA-N 2 1 307.526 3.107 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000883448098 626683847 /nfs/dbraw/zinc/68/38/47/626683847.db2.gz UNKWHFTXUOTYRD-WMZOPIPTSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448098 626683848 /nfs/dbraw/zinc/68/38/48/626683848.db2.gz UNKWHFTXUOTYRD-WMZOPIPTSA-N 2 1 324.472 3.256 20 0 DGADMP c1c([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]c1-c1ccccc1 ZINC000883448098 626683850 /nfs/dbraw/zinc/68/38/50/626683850.db2.gz UNKWHFTXUOTYRD-WMZOPIPTSA-N 2 1 324.472 3.256 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138547 626701165 /nfs/dbraw/zinc/70/11/65/626701165.db2.gz XCFNHRWFFBMIGQ-UKRRQHHQSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138547 626701167 /nfs/dbraw/zinc/70/11/67/626701167.db2.gz XCFNHRWFFBMIGQ-UKRRQHHQSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000809735818 626943695 /nfs/dbraw/zinc/94/36/95/626943695.db2.gz UKAMSNYMERAVHX-MRXNPFEDSA-N 2 1 318.461 3.152 20 0 DGADMP Cc1nc(C)c(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000809738593 626944154 /nfs/dbraw/zinc/94/41/54/626944154.db2.gz ALYAGSFUDFRUSK-UHFFFAOYSA-N 2 1 303.475 3.454 20 0 DGADMP Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738888 626944204 /nfs/dbraw/zinc/94/42/04/626944204.db2.gz NVICRNBLKCYKDS-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cncc4ccccc43)C2)CC1 ZINC000809755573 626947274 /nfs/dbraw/zinc/94/72/74/626947274.db2.gz KXRFFBOPPVTPRK-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)nc1C ZINC000809757270 626947721 /nfs/dbraw/zinc/94/77/21/626947721.db2.gz XZLWWFSHYKGVPG-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)nc1C ZINC000809757270 626947723 /nfs/dbraw/zinc/94/77/23/626947723.db2.gz XZLWWFSHYKGVPG-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000810144739 626981022 /nfs/dbraw/zinc/98/10/22/626981022.db2.gz GMYPAEQTVSLEMY-IEZWGBDMSA-N 2 1 306.494 3.212 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885960971 627070824 /nfs/dbraw/zinc/07/08/24/627070824.db2.gz RWNDCANQCBEOPX-MOPGFXCFSA-N 2 1 308.510 3.388 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000886017070 627085193 /nfs/dbraw/zinc/08/51/93/627085193.db2.gz RIICWMMESGLKBD-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000886018518 627085791 /nfs/dbraw/zinc/08/57/91/627085791.db2.gz BNSZAIXEOONDKD-PKOBYXMFSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000886018518 627085793 /nfs/dbraw/zinc/08/57/93/627085793.db2.gz BNSZAIXEOONDKD-PKOBYXMFSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000886018518 627085795 /nfs/dbraw/zinc/08/57/95/627085795.db2.gz BNSZAIXEOONDKD-PKOBYXMFSA-N 2 1 304.478 3.113 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081685 627099617 /nfs/dbraw/zinc/09/96/17/627099617.db2.gz VKPDHSZXOIROQH-QRQLOZEOSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081685 627099618 /nfs/dbraw/zinc/09/96/18/627099618.db2.gz VKPDHSZXOIROQH-QRQLOZEOSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081685 627099620 /nfs/dbraw/zinc/09/96/20/627099620.db2.gz VKPDHSZXOIROQH-QRQLOZEOSA-N 2 1 318.505 3.284 20 0 DGADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCCCC1 ZINC000886081045 627100107 /nfs/dbraw/zinc/10/01/07/627100107.db2.gz IBIIRZJVWCFSCH-LPHOPBHVSA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886081045 627100108 /nfs/dbraw/zinc/10/01/08/627100108.db2.gz IBIIRZJVWCFSCH-LPHOPBHVSA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886081045 627100109 /nfs/dbraw/zinc/10/01/09/627100109.db2.gz IBIIRZJVWCFSCH-LPHOPBHVSA-N 2 1 306.494 3.284 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886313950 627135229 /nfs/dbraw/zinc/13/52/29/627135229.db2.gz IDFOODONNWXGMV-QZTJIDSGSA-N 2 1 306.494 3.284 20 0 DGADMP Cn1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886536556 627159057 /nfs/dbraw/zinc/15/90/57/627159057.db2.gz KMOFUUZYOYDNDL-UFYCRDLUSA-N 2 1 309.457 3.168 20 0 DGADMP Cc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000886646278 627179421 /nfs/dbraw/zinc/17/94/21/627179421.db2.gz DLYMBCUJIISWKJ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000886646278 627179423 /nfs/dbraw/zinc/17/94/23/627179423.db2.gz DLYMBCUJIISWKJ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000886646278 627179426 /nfs/dbraw/zinc/17/94/26/627179426.db2.gz DLYMBCUJIISWKJ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000886646278 627179429 /nfs/dbraw/zinc/17/94/29/627179429.db2.gz DLYMBCUJIISWKJ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccnn1C ZINC000886648542 627180259 /nfs/dbraw/zinc/18/02/59/627180259.db2.gz XJRAPKQQCWTHNB-LULLPPNCSA-N 2 1 324.472 3.124 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCc3ncc(C)cc3C)CC2)[nH+]c1C ZINC000886659821 627182376 /nfs/dbraw/zinc/18/23/76/627182376.db2.gz WIXWSRCOAXBHCL-UHFFFAOYSA-N 2 1 312.461 3.460 20 0 DGADMP Cc1[nH]c(C2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)[nH+]c1C ZINC000886660749 627182796 /nfs/dbraw/zinc/18/27/96/627182796.db2.gz FLBSOALKKLBJNO-GOSISDBHSA-N 2 1 318.509 3.469 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)[nH+]c1C ZINC000886671978 627185723 /nfs/dbraw/zinc/18/57/23/627185723.db2.gz HGKFIUSQBURSRL-QGZVFWFLSA-N 2 1 317.408 3.079 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000886694012 627192713 /nfs/dbraw/zinc/19/27/13/627192713.db2.gz MLQSEGNXORHQBP-WXJALIKYSA-N 2 1 308.510 3.005 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000886694011 627193038 /nfs/dbraw/zinc/19/30/38/627193038.db2.gz MLQSEGNXORHQBP-QKDSSNGWSA-N 2 1 308.510 3.005 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1)C1CCCC1 ZINC000886841595 627211302 /nfs/dbraw/zinc/21/13/02/627211302.db2.gz QJVHFYFTJIZQAN-AITUJVMLSA-N 2 1 306.494 3.033 20 0 DGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000886858110 627211436 /nfs/dbraw/zinc/21/14/36/627211436.db2.gz MVLONQLFKZCYMH-RDJZCZTQSA-N 2 1 324.390 3.497 20 0 DGADMP Fc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000886872154 627211856 /nfs/dbraw/zinc/21/18/56/627211856.db2.gz KWJYADQESZDSNC-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850404 627429852 /nfs/dbraw/zinc/42/98/52/627429852.db2.gz MRTBKBLZXBSUHC-QFBILLFUSA-N 2 1 315.461 3.416 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850404 627429855 /nfs/dbraw/zinc/42/98/55/627429855.db2.gz MRTBKBLZXBSUHC-QFBILLFUSA-N 2 1 315.461 3.416 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924604105 627655554 /nfs/dbraw/zinc/65/55/54/627655554.db2.gz YWYPPACGKZSMTM-QGZVFWFLSA-N 2 1 309.457 3.051 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924604105 627655556 /nfs/dbraw/zinc/65/55/56/627655556.db2.gz YWYPPACGKZSMTM-QGZVFWFLSA-N 2 1 309.457 3.051 20 0 DGADMP CCON1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000924660735 627664275 /nfs/dbraw/zinc/66/42/75/627664275.db2.gz ZUHUIIKEUJUVOE-UHFFFAOYSA-N 2 1 319.493 3.032 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924684208 627666333 /nfs/dbraw/zinc/66/63/33/627666333.db2.gz JVILZTFYSXZZME-OGWHTMIXSA-N 2 1 308.510 3.149 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000924683589 627666663 /nfs/dbraw/zinc/66/66/63/627666663.db2.gz AJUWFQZSDQSMRG-HOTGVXAUSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000924684752 627667469 /nfs/dbraw/zinc/66/74/69/627667469.db2.gz FPSXUVGUDMLRTB-GDBMZVCRSA-N 2 1 305.466 3.462 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000924687588 627667525 /nfs/dbraw/zinc/66/75/25/627667525.db2.gz WFEHGLHZOBHODJ-IXDOHACOSA-N 2 1 321.513 3.268 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccnn1C1CCC1 ZINC000924719984 627672730 /nfs/dbraw/zinc/67/27/30/627672730.db2.gz FEJRWCSDOLEPJZ-JKSUJKDBSA-N 2 1 304.482 3.381 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000815578475 627687207 /nfs/dbraw/zinc/68/72/07/627687207.db2.gz OZYDLAFLYOQAGE-DOTOQJQBSA-N 2 1 308.441 3.022 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000815621388 627691568 /nfs/dbraw/zinc/69/15/68/627691568.db2.gz SMDAMYIDSYHXOT-JKSUJKDBSA-N 2 1 308.441 3.286 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000815621386 627691871 /nfs/dbraw/zinc/69/18/71/627691871.db2.gz SMDAMYIDSYHXOT-HOTGVXAUSA-N 2 1 308.441 3.286 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924952135 627696604 /nfs/dbraw/zinc/69/66/04/627696604.db2.gz NATBDJYSCWSDCJ-HUUCEWRRSA-N 2 1 315.465 3.175 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925008500 627700486 /nfs/dbraw/zinc/70/04/86/627700486.db2.gz DDMLFLHPHOKBBA-LEWJYISDSA-N 2 1 323.484 3.167 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2[nH]1 ZINC000925024496 627702179 /nfs/dbraw/zinc/70/21/79/627702179.db2.gz VNFINLVBYVYBCO-WBVHZDCISA-N 2 1 315.461 3.055 20 0 DGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000925057625 627704916 /nfs/dbraw/zinc/70/49/16/627704916.db2.gz SGIMYYPECFISFD-YRXWBPOGSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)(C)CO ZINC000925079310 627706604 /nfs/dbraw/zinc/70/66/04/627706604.db2.gz JARQDBBWCZJZLK-HOTGVXAUSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000925134361 627711637 /nfs/dbraw/zinc/71/16/37/627711637.db2.gz PYOSXYYSRBERIS-HNNXBMFYSA-N 2 1 315.465 3.319 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnn1CC1CCC1 ZINC000925220822 627720386 /nfs/dbraw/zinc/72/03/86/627720386.db2.gz JYKNAIAIPJEZEC-BHYGNILZSA-N 2 1 304.482 3.207 20 0 DGADMP CC1(C)C[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@@H]([NH3+])C1 ZINC000925494315 627742585 /nfs/dbraw/zinc/74/25/85/627742585.db2.gz NHHHTOPYNVXETF-PMPSAXMXSA-N 2 1 321.534 3.381 20 0 DGADMP C[C@H]([NH3+])[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551586 627752436 /nfs/dbraw/zinc/75/24/36/627752436.db2.gz BWKKHELANWMHJK-AOIWGVFYSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551586 627752439 /nfs/dbraw/zinc/75/24/39/627752439.db2.gz BWKKHELANWMHJK-AOIWGVFYSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551586 627752442 /nfs/dbraw/zinc/75/24/42/627752442.db2.gz BWKKHELANWMHJK-AOIWGVFYSA-N 2 1 303.494 3.177 20 0 DGADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925580103 627757888 /nfs/dbraw/zinc/75/78/88/627757888.db2.gz KCKDUQNZPWNNTB-AWEZNQCLSA-N 2 1 314.351 3.002 20 0 DGADMP C[C@H]([NH3+])[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925655880 627771235 /nfs/dbraw/zinc/77/12/35/627771235.db2.gz XGRFJYGNSXUWGD-FBBABVLZSA-N 2 1 323.484 3.187 20 0 DGADMP FC1(c2cccc(Cl)c2)CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925657466 627772097 /nfs/dbraw/zinc/77/20/97/627772097.db2.gz SPSHFHPQINSOEM-XPHRWZIMSA-N 2 1 320.839 3.253 20 0 DGADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925686504 627776511 /nfs/dbraw/zinc/77/65/11/627776511.db2.gz VMNIXHINEJNJBN-SUMWQHHRSA-N 2 1 306.425 3.030 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)C1 ZINC000925731055 627783841 /nfs/dbraw/zinc/78/38/41/627783841.db2.gz RQXFLSKHVPSFKM-UONOGXRCSA-N 2 1 316.474 3.201 20 0 DGADMP Cc1ccc2c(c1)[C@H](N1CCc3sc(CN)nc3C1)[C@@H](C)C2 ZINC000925746455 627785777 /nfs/dbraw/zinc/78/57/77/627785777.db2.gz BYYJJECXDRBTKM-KPZWWZAWSA-N 2 1 313.470 3.202 20 0 DGADMP Cc1ccc2c(c1)[C@@H](N1CCc3sc(CN)nc3C1)[C@H](C)C2 ZINC000925746484 627786046 /nfs/dbraw/zinc/78/60/46/627786046.db2.gz BYYJJECXDRBTKM-XIKOKIGWSA-N 2 1 313.470 3.202 20 0 DGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747483 627786555 /nfs/dbraw/zinc/78/65/55/627786555.db2.gz IPWBOMIMBWXXJT-IPYPFGDCSA-N 2 1 307.507 3.421 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000925760309 627790425 /nfs/dbraw/zinc/79/04/25/627790425.db2.gz PCHVGQKNVLNQFR-LJQANCHMSA-N 2 1 324.472 3.453 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773582 627792675 /nfs/dbraw/zinc/79/26/75/627792675.db2.gz DSWKSRQFMUHSLO-FHWLQOOXSA-N 2 1 314.473 3.419 20 0 DGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925783428 627794213 /nfs/dbraw/zinc/79/42/13/627794213.db2.gz OCLWCLLNHOOBME-GDBMZVCRSA-N 2 1 324.415 3.352 20 0 DGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925783431 627794741 /nfs/dbraw/zinc/79/47/41/627794741.db2.gz OCLWCLLNHOOBME-ZBFHGGJFSA-N 2 1 324.415 3.352 20 0 DGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925782507 627794879 /nfs/dbraw/zinc/79/48/79/627794879.db2.gz LXVIXNVFEBPHND-ZYHUDNBSSA-N 2 1 317.449 3.470 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(F)c1 ZINC000925784919 627795624 /nfs/dbraw/zinc/79/56/24/627795624.db2.gz SZHKVHQAKVBJRT-DOMZBBRYSA-N 2 1 318.358 3.496 20 0 DGADMP Cc1ccc([C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793574 627796223 /nfs/dbraw/zinc/79/62/23/627796223.db2.gz FNPKPSPUPJSJAY-RBUKOAKNSA-N 2 1 314.473 3.194 20 0 DGADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)no1 ZINC000925810519 627799364 /nfs/dbraw/zinc/79/93/64/627799364.db2.gz ALPPEQMQBLNEFE-ZFWWWQNUSA-N 2 1 308.385 3.204 20 0 DGADMP Cn1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1Cl ZINC000816516619 627799708 /nfs/dbraw/zinc/79/97/08/627799708.db2.gz LLFYQWWSKXDXHB-UHFFFAOYSA-N 2 1 324.900 3.162 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](C)[C@H]2C)CC1 ZINC000816649396 627820025 /nfs/dbraw/zinc/82/00/25/627820025.db2.gz YPHXKYXOJDMQRA-DLBZAZTESA-N 2 1 301.478 3.059 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926124113 627847877 /nfs/dbraw/zinc/84/78/77/627847877.db2.gz GFWZMMMBHCIRSU-IBGZPJMESA-N 2 1 314.473 3.066 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000926288439 627875130 /nfs/dbraw/zinc/87/51/30/627875130.db2.gz VITLTBKDDAJTHJ-HZPDHXFCSA-N 2 1 315.461 3.319 20 0 DGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325375 627879887 /nfs/dbraw/zinc/87/98/87/627879887.db2.gz LRILKRPFFDGTJN-AQNXPRMDSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H](C[NH+](C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926423886 627892433 /nfs/dbraw/zinc/89/24/33/627892433.db2.gz OALVKSUFVPGTBT-OHSMVPPVSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685588 627932496 /nfs/dbraw/zinc/93/24/96/627932496.db2.gz YFJIBIQVOAVZRN-YJBOKZPZSA-N 2 1 303.494 3.272 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685588 627932498 /nfs/dbraw/zinc/93/24/98/627932498.db2.gz YFJIBIQVOAVZRN-YJBOKZPZSA-N 2 1 303.494 3.272 20 0 DGADMP COCc1csc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000926702179 627936327 /nfs/dbraw/zinc/93/63/27/627936327.db2.gz FTGUBZFCESJNKW-UHFFFAOYSA-N 2 1 310.507 3.495 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736616 627943744 /nfs/dbraw/zinc/94/37/44/627943744.db2.gz ZVSATNWYYJBKSO-ZFWWWQNUSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736616 627943746 /nfs/dbraw/zinc/94/37/46/627943746.db2.gz ZVSATNWYYJBKSO-ZFWWWQNUSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736616 627943749 /nfs/dbraw/zinc/94/37/49/627943749.db2.gz ZVSATNWYYJBKSO-ZFWWWQNUSA-N 2 1 306.425 3.304 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752910 627946698 /nfs/dbraw/zinc/94/66/98/627946698.db2.gz DJYFFETYLXVBLM-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752910 627946700 /nfs/dbraw/zinc/94/67/00/627946700.db2.gz DJYFFETYLXVBLM-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752910 627946702 /nfs/dbraw/zinc/94/67/02/627946702.db2.gz DJYFFETYLXVBLM-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897854 627955521 /nfs/dbraw/zinc/95/55/21/627955521.db2.gz XHECWVQBMNHCSS-JENIJYKNSA-N 2 1 301.478 3.084 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)c2ccccc21 ZINC000817905330 627957945 /nfs/dbraw/zinc/95/79/45/627957945.db2.gz FXTLIJYDWORNOL-OAGGEKHMSA-N 2 1 320.795 3.247 20 0 DGADMP C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000817928652 627964163 /nfs/dbraw/zinc/96/41/63/627964163.db2.gz ZPMNNHZOJJQVHE-UZLBHIALSA-N 2 1 324.472 3.057 20 0 DGADMP CC[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817928429 627964381 /nfs/dbraw/zinc/96/43/81/627964381.db2.gz WSTGNAWQODVRGD-AABGKKOBSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817932705 627966009 /nfs/dbraw/zinc/96/60/09/627966009.db2.gz WPMMFSORSKBMRE-ARFHVFGLSA-N 2 1 307.869 3.444 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C3CC4(C3)CCCC4)C2)[C@@H]1C(C)C ZINC000926877692 627968102 /nfs/dbraw/zinc/96/81/02/627968102.db2.gz CZMKFWAYUQDTDD-FTEYMNFISA-N 2 1 320.521 3.169 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817963982 627976866 /nfs/dbraw/zinc/97/68/66/627976866.db2.gz ZTTDDLPHWLGDKX-GOEBONIOSA-N 2 1 319.449 3.201 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1SC(F)F ZINC000817965814 627977793 /nfs/dbraw/zinc/97/77/93/627977793.db2.gz WJNAQRPQSZKBDL-BXKDBHETSA-N 2 1 316.417 3.398 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1SC(F)F ZINC000817978026 627981931 /nfs/dbraw/zinc/98/19/31/627981931.db2.gz UDELQNUZFCOMEC-BBBLOLIVSA-N 2 1 304.406 3.396 20 0 DGADMP CC(C)(C)N1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927037694 628000783 /nfs/dbraw/zinc/00/07/83/628000783.db2.gz KKVMOELBGLNANM-UHFFFAOYSA-N 2 1 307.526 3.246 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818959046 628067276 /nfs/dbraw/zinc/06/72/76/628067276.db2.gz BASUWRJWVHYBOU-YJBOKZPZSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000818959704 628067668 /nfs/dbraw/zinc/06/76/68/628067668.db2.gz RHNUVRFVBFELLX-QAPCUYQASA-N 2 1 324.896 3.475 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000818961821 628068204 /nfs/dbraw/zinc/06/82/04/628068204.db2.gz VFBMOUAZRMEMEC-FCEWJHQRSA-N 2 1 322.468 3.207 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000818970642 628069387 /nfs/dbraw/zinc/06/93/87/628069387.db2.gz OPYUKLJUCNLJSH-HXUWFJFHSA-N 2 1 312.457 3.270 20 0 DGADMP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819043269 628082634 /nfs/dbraw/zinc/08/26/34/628082634.db2.gz RFGZOQPKQDGCTB-KRWDZBQOSA-N 2 1 310.869 3.228 20 0 DGADMP CCC(CC)(C[NH2+]C[C@@H](O)C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000819065445 628085859 /nfs/dbraw/zinc/08/58/59/628085859.db2.gz IVBPGJPKMNJOGP-CRAIPNDOSA-N 2 1 304.478 3.257 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819182929 628107432 /nfs/dbraw/zinc/10/74/32/628107432.db2.gz SHCUEHQMZBGMSG-YJBOKZPZSA-N 2 1 324.896 3.331 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000819181892 628107515 /nfs/dbraw/zinc/10/75/15/628107515.db2.gz DASJBNCVXPATQL-LPHOPBHVSA-N 2 1 322.468 3.125 20 0 DGADMP CC1(C)CC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC(C)(C)[NH2+]1 ZINC000820805700 628298898 /nfs/dbraw/zinc/29/88/98/628298898.db2.gz PVSFVZOBEHTVOW-FUCXHRTASA-N 2 1 305.510 3.043 20 0 DGADMP CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC(C)(C)[NH2+]1 ZINC000820805700 628298899 /nfs/dbraw/zinc/29/88/99/628298899.db2.gz PVSFVZOBEHTVOW-FUCXHRTASA-N 3 1 305.510 3.043 20 0 DGADMP CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC(C)(C)[NH2+]1 ZINC000820805700 628298902 /nfs/dbraw/zinc/29/89/02/628298902.db2.gz PVSFVZOBEHTVOW-FUCXHRTASA-N 3 1 305.510 3.043 20 0 DGADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820824720 628301318 /nfs/dbraw/zinc/30/13/18/628301318.db2.gz USHBPYDVJIMWEJ-PQCNYSFFSA-N 2 1 306.494 3.185 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1c(C)noc1C ZINC000820829638 628302657 /nfs/dbraw/zinc/30/26/57/628302657.db2.gz LDEHCMNXIMKZLN-YQAQFAQXSA-N 2 1 303.450 3.490 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1c(C)noc1C ZINC000820829638 628302661 /nfs/dbraw/zinc/30/26/61/628302661.db2.gz LDEHCMNXIMKZLN-YQAQFAQXSA-N 2 1 303.450 3.490 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822659327 628476139 /nfs/dbraw/zinc/47/61/39/628476139.db2.gz OQQPWGYFOPBREW-KGLIPLIRSA-N 2 1 323.308 3.003 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)s1 ZINC000824978668 628712887 /nfs/dbraw/zinc/71/28/87/628712887.db2.gz YICUZSKVLZUJCW-GFCCVEGCSA-N 2 1 322.305 3.268 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)s1 ZINC000824978669 628712925 /nfs/dbraw/zinc/71/29/25/628712925.db2.gz YICUZSKVLZUJCW-LBPRGKRZSA-N 2 1 322.305 3.268 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000834584978 629734860 /nfs/dbraw/zinc/73/48/60/629734860.db2.gz BIBBMIZABNHGEI-PBHICJAKSA-N 2 1 308.491 3.351 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)[C@H]2CCC[C@@H]21 ZINC000834893275 629800364 /nfs/dbraw/zinc/80/03/64/629800364.db2.gz NWHYLUGWWPQZCO-ZOBORPQBSA-N 2 1 305.293 3.423 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000840808178 630360878 /nfs/dbraw/zinc/36/08/78/630360878.db2.gz IXYZNHDOXWWYJS-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841009942 630395572 /nfs/dbraw/zinc/39/55/72/630395572.db2.gz QYFPOHHHTUFBTE-FCEWJHQRSA-N 2 1 322.468 3.205 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841028066 630397865 /nfs/dbraw/zinc/39/78/65/630397865.db2.gz KREUOUPUUAHTDJ-PMPSAXMXSA-N 2 1 314.564 3.268 20 0 DGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000841078112 630404913 /nfs/dbraw/zinc/40/49/13/630404913.db2.gz GGHYYNKIOZNGRT-ZIAGYGMSSA-N 2 1 302.393 3.230 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H](C)C[NH2+]C)no2)cc1)C(C)C ZINC000842584856 630550497 /nfs/dbraw/zinc/55/04/97/630550497.db2.gz ZYPKNRMTXVXNOL-AWEZNQCLSA-N 2 1 316.449 3.290 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673675 630561805 /nfs/dbraw/zinc/56/18/05/630561805.db2.gz PMAXQSKYRWXEPE-OALUTQOASA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673675 630561808 /nfs/dbraw/zinc/56/18/08/630561808.db2.gz PMAXQSKYRWXEPE-OALUTQOASA-N 2 1 316.489 3.180 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)oc21 ZINC000843046535 630608078 /nfs/dbraw/zinc/60/80/78/630608078.db2.gz YMSFOOPIJOCDCH-NVXWUHKLSA-N 2 1 314.429 3.405 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)oc21 ZINC000843046535 630608081 /nfs/dbraw/zinc/60/80/81/630608081.db2.gz YMSFOOPIJOCDCH-NVXWUHKLSA-N 2 1 314.429 3.405 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000843047856 630608527 /nfs/dbraw/zinc/60/85/27/630608527.db2.gz ZAZJPYCMLGIMFI-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000843047856 630608528 /nfs/dbraw/zinc/60/85/28/630608528.db2.gz ZAZJPYCMLGIMFI-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843055924 630609219 /nfs/dbraw/zinc/60/92/19/630609219.db2.gz SBDOKDZPFYHNKG-UHFFFAOYSA-N 2 1 316.367 3.329 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)oc21 ZINC000843059286 630610035 /nfs/dbraw/zinc/61/00/35/630610035.db2.gz JJZXWGNHLLGTLV-CWRNSKLLSA-N 2 1 300.402 3.001 20 0 DGADMP FC(F)(F)c1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000843119153 630615572 /nfs/dbraw/zinc/61/55/72/630615572.db2.gz HFGDHPJUIBPDPJ-ZFWWWQNUSA-N 2 1 312.379 3.494 20 0 DGADMP [NH3+]CCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000843342750 630647848 /nfs/dbraw/zinc/64/78/48/630647848.db2.gz TXXARCXPQBGNDS-ACDBMABISA-N 3 1 315.505 3.291 20 0 DGADMP [NH3+]CCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000843342750 630647849 /nfs/dbraw/zinc/64/78/49/630647849.db2.gz TXXARCXPQBGNDS-ACDBMABISA-N 2 1 315.505 3.291 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000843387525 630651324 /nfs/dbraw/zinc/65/13/24/630651324.db2.gz GVMBQGDHIJWFRI-STQMWFEESA-N 2 1 314.260 3.210 20 0 DGADMP C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1CCC([NH3+])CC1 ZINC000844221143 630712786 /nfs/dbraw/zinc/71/27/86/630712786.db2.gz WQWHEIKXQJQLEZ-UHFFFAOYSA-N 2 1 321.371 3.322 20 0 DGADMP Cc1ccc(N2CCC[N@@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000844221823 630712925 /nfs/dbraw/zinc/71/29/25/630712925.db2.gz MPQKCGHSHMKENZ-UHFFFAOYSA-N 2 1 315.505 3.287 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844375862 630722745 /nfs/dbraw/zinc/72/27/45/630722745.db2.gz QUJYRONBXMIDAP-MSOLQXFVSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844375862 630722747 /nfs/dbraw/zinc/72/27/47/630722747.db2.gz QUJYRONBXMIDAP-MSOLQXFVSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844375862 630722748 /nfs/dbraw/zinc/72/27/48/630722748.db2.gz QUJYRONBXMIDAP-MSOLQXFVSA-N 2 1 322.880 3.108 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000844902794 630972688 /nfs/dbraw/zinc/97/26/88/630972688.db2.gz PUXIVKKPGPPHPC-KYOSRNDESA-N 2 1 314.882 3.120 20 0 DGADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000846218735 631215375 /nfs/dbraw/zinc/21/53/75/631215375.db2.gz SJJXJNUBCWUHNB-UHFFFAOYSA-N 2 1 305.466 3.001 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NC2CCC2)C1 ZINC000848985386 631797326 /nfs/dbraw/zinc/79/73/26/631797326.db2.gz KDPSZGGECWISMN-OAHLLOKOSA-N 2 1 314.477 3.085 20 0 DGADMP CCCCNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989943 631799303 /nfs/dbraw/zinc/79/93/03/631799303.db2.gz MVPSAOQQJMNCOP-AEFFLSMTSA-N 2 1 316.493 3.201 20 0 DGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)c1ccccc1 ZINC000849055799 631820910 /nfs/dbraw/zinc/82/09/10/631820910.db2.gz DEJWIOZWCCRGSF-AEFFLSMTSA-N 2 1 316.493 3.326 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849063986 631824274 /nfs/dbraw/zinc/82/42/74/631824274.db2.gz WTUCIGJHVJUZGG-SFHVURJKSA-N 2 1 316.493 3.264 20 0 DGADMP CCc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000849105211 631836939 /nfs/dbraw/zinc/83/69/39/631836939.db2.gz HRMNIKJULPNQDD-UHFFFAOYSA-N 2 1 302.466 3.307 20 0 DGADMP CCc1cccc(NC(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000849105401 631836957 /nfs/dbraw/zinc/83/69/57/631836957.db2.gz KKWXSZAQHAVUNX-UHFFFAOYSA-N 2 1 302.466 3.307 20 0 DGADMP CCc1cccc(NC(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000849110676 631838268 /nfs/dbraw/zinc/83/82/68/631838268.db2.gz OGBQVRAIFMHFAA-INIZCTEOSA-N 2 1 302.466 3.306 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000849349609 631900937 /nfs/dbraw/zinc/90/09/37/631900937.db2.gz CJZPZOUDBYQXPY-ZWQIFLOQSA-N 2 1 320.452 3.066 20 0 DGADMP Cc1cc(F)ccc1C[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850350125 632121752 /nfs/dbraw/zinc/12/17/52/632121752.db2.gz OKJKCSSRLUCMTN-CYBMUJFWSA-N 2 1 321.465 3.373 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2SCCS2)CC[N@H+]1Cc1ccccc1 ZINC000850401924 632140632 /nfs/dbraw/zinc/14/06/32/632140632.db2.gz JRCLTBYVSGWFTN-HOCLYGCPSA-N 2 1 322.543 3.435 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)cn1 ZINC000850426552 632149171 /nfs/dbraw/zinc/14/91/71/632149171.db2.gz WHTVLCYPRIAEII-LLVKDONJSA-N 2 1 308.376 3.345 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]2CCC[C@@H]21 ZINC000850435401 632151651 /nfs/dbraw/zinc/15/16/51/632151651.db2.gz NEMXJZJGELMMRH-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000850556751 632192926 /nfs/dbraw/zinc/19/29/26/632192926.db2.gz LQIFBDSCOCKHQW-IFUGULHKSA-N 2 1 317.260 3.099 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572365 632198393 /nfs/dbraw/zinc/19/83/93/632198393.db2.gz CFFNBLTWDUWMMH-HNONPPJISA-N 2 1 324.896 3.470 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572365 632198394 /nfs/dbraw/zinc/19/83/94/632198394.db2.gz CFFNBLTWDUWMMH-HNONPPJISA-N 2 1 324.896 3.470 20 0 DGADMP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000185268387 660212354 /nfs/dbraw/zinc/21/23/54/660212354.db2.gz WAHBILYLGZESJA-UHFFFAOYSA-N 2 1 311.813 3.214 20 0 DGADMP CCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702566590 660730087 /nfs/dbraw/zinc/73/00/87/660730087.db2.gz KFORBUMKENNRTQ-HKUYNNGSSA-N 2 1 304.478 3.182 20 0 DGADMP CCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702566590 660730089 /nfs/dbraw/zinc/73/00/89/660730089.db2.gz KFORBUMKENNRTQ-HKUYNNGSSA-N 2 1 304.478 3.182 20 0 DGADMP O[C@@]1(C[NH2+]C2CCCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000702587135 660730610 /nfs/dbraw/zinc/73/06/10/660730610.db2.gz LEBNHSAZNDAJLR-HXUWFJFHSA-N 2 1 316.489 3.326 20 0 DGADMP O[C@@]1(C[NH2+]C2CCCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702587135 660730612 /nfs/dbraw/zinc/73/06/12/660730612.db2.gz LEBNHSAZNDAJLR-HXUWFJFHSA-N 2 1 316.489 3.326 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702902599 660746978 /nfs/dbraw/zinc/74/69/78/660746978.db2.gz BASBRJUWXOPCNQ-WMZOPIPTSA-N 2 1 302.462 3.104 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034438557 660754272 /nfs/dbraw/zinc/75/42/72/660754272.db2.gz OQZZKMSOUQILNY-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034438557 660754274 /nfs/dbraw/zinc/75/42/74/660754274.db2.gz OQZZKMSOUQILNY-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034438557 660754276 /nfs/dbraw/zinc/75/42/76/660754276.db2.gz OQZZKMSOUQILNY-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000708541450 660923842 /nfs/dbraw/zinc/92/38/42/660923842.db2.gz JZKDAFAOVAJOFB-UZLBHIALSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cscc2Br)CC[NH2+]1 ZINC000709793877 660930593 /nfs/dbraw/zinc/93/05/93/660930593.db2.gz VIUPDXJWLSHPJN-MNOVXSKESA-N 2 1 317.296 3.331 20 0 DGADMP C[C@@]12CC[N@H+](CCC[NH+]3CCCCC3)C[C@@H]1C2(Cl)Cl ZINC000792904915 660992678 /nfs/dbraw/zinc/99/26/78/660992678.db2.gz MWTMSBLUWLPQNQ-UONOGXRCSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@@]12CC[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]1C2(Cl)Cl ZINC000792904915 660992680 /nfs/dbraw/zinc/99/26/80/660992680.db2.gz MWTMSBLUWLPQNQ-UONOGXRCSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000261736752 655683340 /nfs/dbraw/zinc/68/33/40/655683340.db2.gz LPUNDYTVESAKNI-CYBMUJFWSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000261736752 655683345 /nfs/dbraw/zinc/68/33/45/655683345.db2.gz LPUNDYTVESAKNI-CYBMUJFWSA-N 2 1 304.381 3.469 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCCSCc3ccccc3)C[C@]2(C)C1 ZINC000933736615 655731310 /nfs/dbraw/zinc/73/13/10/655731310.db2.gz YRZRLPKNSLWMOE-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCSCc3ccccc3)C[C@]2(C)C1 ZINC000933736615 655731312 /nfs/dbraw/zinc/73/13/12/655731312.db2.gz YRZRLPKNSLWMOE-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCSCc3ccccc3)C[C@]2(C)C1 ZINC000933736615 655731314 /nfs/dbraw/zinc/73/13/14/655731314.db2.gz YRZRLPKNSLWMOE-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP Cc1cc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000309740119 655880022 /nfs/dbraw/zinc/88/00/22/655880022.db2.gz RRBDZNXLFXTMPW-LJQANCHMSA-N 2 1 310.445 3.418 20 0 DGADMP Cc1cc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000309740119 655880023 /nfs/dbraw/zinc/88/00/23/655880023.db2.gz RRBDZNXLFXTMPW-LJQANCHMSA-N 2 1 310.445 3.418 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000309748657 655880627 /nfs/dbraw/zinc/88/06/27/655880627.db2.gz VHVOAGZPOWJZTO-ROUUACIJSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000310019829 656129575 /nfs/dbraw/zinc/12/95/75/656129575.db2.gz QRKFDDDMGHWKFN-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310023883 656133291 /nfs/dbraw/zinc/13/32/91/656133291.db2.gz SXOMJUHRMVNPIJ-MJGOQNOKSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000310023883 656133293 /nfs/dbraw/zinc/13/32/93/656133293.db2.gz SXOMJUHRMVNPIJ-MJGOQNOKSA-N 2 1 303.494 3.006 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000123754282 656183412 /nfs/dbraw/zinc/18/34/12/656183412.db2.gz ZSPPRZVELWUIIR-HNNXBMFYSA-N 2 1 324.538 3.343 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000123754282 656183413 /nfs/dbraw/zinc/18/34/13/656183413.db2.gz ZSPPRZVELWUIIR-HNNXBMFYSA-N 2 1 324.538 3.343 20 0 DGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000313570030 656292572 /nfs/dbraw/zinc/29/25/72/656292572.db2.gz XXCUHQUCXFKGEZ-FXAWDEMLSA-N 2 1 312.457 3.220 20 0 DGADMP CC(C)CCOCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000236743274 656317439 /nfs/dbraw/zinc/31/74/39/656317439.db2.gz VLVMCFRDVVGQBK-UHFFFAOYSA-N 2 1 318.505 3.346 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447227 656437138 /nfs/dbraw/zinc/43/71/38/656437138.db2.gz YWPDTVARJFTUHI-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447227 656437139 /nfs/dbraw/zinc/43/71/39/656437139.db2.gz YWPDTVARJFTUHI-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447227 656437141 /nfs/dbraw/zinc/43/71/41/656437141.db2.gz YWPDTVARJFTUHI-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052860835 656777579 /nfs/dbraw/zinc/77/75/79/656777579.db2.gz XRHBXJUFQATECB-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052860835 656777581 /nfs/dbraw/zinc/77/75/81/656777581.db2.gz XRHBXJUFQATECB-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052860835 656777585 /nfs/dbraw/zinc/77/75/85/656777585.db2.gz XRHBXJUFQATECB-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000261556557 656908944 /nfs/dbraw/zinc/90/89/44/656908944.db2.gz WCDWJBBPHKIEJL-LJQANCHMSA-N 2 1 310.441 3.497 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028253892 656946461 /nfs/dbraw/zinc/94/64/61/656946461.db2.gz IVKASYMEHSVZRF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028253892 656946464 /nfs/dbraw/zinc/94/64/64/656946464.db2.gz IVKASYMEHSVZRF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028253892 656946469 /nfs/dbraw/zinc/94/64/69/656946469.db2.gz IVKASYMEHSVZRF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000262097071 657354833 /nfs/dbraw/zinc/35/48/33/657354833.db2.gz VGGSQJLINBUZSC-UHFFFAOYSA-N 2 1 300.402 3.017 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000262132333 657392260 /nfs/dbraw/zinc/39/22/60/657392260.db2.gz LOSVKSHZRNMPLI-QRQLOZEOSA-N 2 1 303.494 3.190 20 0 DGADMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000066242816 657392810 /nfs/dbraw/zinc/39/28/10/657392810.db2.gz MNBRMSYDLNZAIA-KRWDZBQOSA-N 2 1 300.450 3.112 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1F ZINC000305165897 657691179 /nfs/dbraw/zinc/69/11/79/657691179.db2.gz YILBNMJRQOJGDP-LJQANCHMSA-N 2 1 320.452 3.246 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000320797532 657845838 /nfs/dbraw/zinc/84/58/38/657845838.db2.gz OYSZWQARUZDFKW-GHBBCFCZSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000320797532 657845845 /nfs/dbraw/zinc/84/58/45/657845845.db2.gz OYSZWQARUZDFKW-GHBBCFCZSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826844 658225049 /nfs/dbraw/zinc/22/50/49/658225049.db2.gz UYLQSOWMKGCTSY-ZMMAXQRCSA-N 2 1 315.505 3.285 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826844 658225059 /nfs/dbraw/zinc/22/50/59/658225059.db2.gz UYLQSOWMKGCTSY-ZMMAXQRCSA-N 2 1 315.505 3.285 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000156861099 658952121 /nfs/dbraw/zinc/95/21/21/658952121.db2.gz KBEQXGPHPPRMOB-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP Cc1cc(C)cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000062252834 659312121 /nfs/dbraw/zinc/31/21/21/659312121.db2.gz IBIBHJDYYVBLAV-HDICACEKSA-N 2 1 304.478 3.282 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954368 659406136 /nfs/dbraw/zinc/40/61/36/659406136.db2.gz IPSHTKMIQRIVFL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954368 659406138 /nfs/dbraw/zinc/40/61/38/659406138.db2.gz IPSHTKMIQRIVFL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954368 659406141 /nfs/dbraw/zinc/40/61/41/659406141.db2.gz IPSHTKMIQRIVFL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954368 659406144 /nfs/dbraw/zinc/40/61/44/659406144.db2.gz IPSHTKMIQRIVFL-IRXDYDNUSA-N 2 1 310.869 3.180 20 0 DGADMP Cc1cccc([C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000929504839 659459944 /nfs/dbraw/zinc/45/99/44/659459944.db2.gz BRXHXJGXQSZDLU-IBGZPJMESA-N 2 1 304.478 3.081 20 0 DGADMP CCCCn1nc(C)c(C[NH2+]CCCn2cc[nH+]c2C)c1Cl ZINC000069754292 660019444 /nfs/dbraw/zinc/01/94/44/660019444.db2.gz NPUQWGXYYUQNLU-UHFFFAOYSA-N 2 1 323.872 3.330 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000929696096 661329408 /nfs/dbraw/zinc/32/94/08/661329408.db2.gz KGHINWAPEPMAMI-NJAFHUGGSA-N 2 1 320.427 3.453 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929747455 661334440 /nfs/dbraw/zinc/33/44/40/661334440.db2.gz CWOGZUWUNIUHDX-XEVCZEQESA-N 2 1 316.489 3.398 20 0 DGADMP COc1cccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000929762047 661335984 /nfs/dbraw/zinc/33/59/84/661335984.db2.gz BQSNVWAZMZEZKV-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000929762047 661335986 /nfs/dbraw/zinc/33/59/86/661335986.db2.gz BQSNVWAZMZEZKV-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000929762047 661335988 /nfs/dbraw/zinc/33/59/88/661335988.db2.gz BQSNVWAZMZEZKV-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000929762047 661335990 /nfs/dbraw/zinc/33/59/90/661335990.db2.gz BQSNVWAZMZEZKV-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000929762047 661335992 /nfs/dbraw/zinc/33/59/92/661335992.db2.gz BQSNVWAZMZEZKV-QGZVFWFLSA-N 2 1 302.462 3.167 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000929842882 661343762 /nfs/dbraw/zinc/34/37/62/661343762.db2.gz FECCNKIWPCYBNW-XWTMOSNGSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000929842882 661343763 /nfs/dbraw/zinc/34/37/63/661343763.db2.gz FECCNKIWPCYBNW-XWTMOSNGSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000929842882 661343764 /nfs/dbraw/zinc/34/37/64/661343764.db2.gz FECCNKIWPCYBNW-XWTMOSNGSA-N 2 1 320.427 3.451 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N)nc2)CC1)CC(C)C ZINC000930179040 661374176 /nfs/dbraw/zinc/37/41/76/661374176.db2.gz GJGOYXBWZDBRBW-UHFFFAOYSA-N 2 1 318.509 3.244 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2nnc(C)o2)CC1)CC(C)C ZINC000930179405 661374210 /nfs/dbraw/zinc/37/42/10/661374210.db2.gz KMXGLLJAKNWJHP-UHFFFAOYSA-N 2 1 322.497 3.001 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930310767 661387221 /nfs/dbraw/zinc/38/72/21/661387221.db2.gz OLYOJNCMKYTYTK-IAGOWNOFSA-N 2 1 308.416 3.453 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930310767 661387223 /nfs/dbraw/zinc/38/72/23/661387223.db2.gz OLYOJNCMKYTYTK-IAGOWNOFSA-N 2 1 308.416 3.453 20 0 DGADMP CCCC[N@@H+](CC[C@H]1CCOC1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034795 661447335 /nfs/dbraw/zinc/44/73/35/661447335.db2.gz XKZTUOFHDJATLJ-HNNXBMFYSA-N 2 1 324.509 3.351 20 0 DGADMP CO[C@H](C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315275 661466354 /nfs/dbraw/zinc/46/63/54/661466354.db2.gz VWNBAYQAPPXAEB-KURKYZTESA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315275 661466356 /nfs/dbraw/zinc/46/63/56/661466356.db2.gz VWNBAYQAPPXAEB-KURKYZTESA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315275 661466358 /nfs/dbraw/zinc/46/63/58/661466358.db2.gz VWNBAYQAPPXAEB-KURKYZTESA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315275 661466361 /nfs/dbraw/zinc/46/63/61/661466361.db2.gz VWNBAYQAPPXAEB-KURKYZTESA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315275 661466363 /nfs/dbraw/zinc/46/63/63/661466363.db2.gz VWNBAYQAPPXAEB-KURKYZTESA-N 2 1 322.880 3.301 20 0 DGADMP CO[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315275 661466365 /nfs/dbraw/zinc/46/63/65/661466365.db2.gz VWNBAYQAPPXAEB-KURKYZTESA-N 2 1 322.880 3.301 20 0 DGADMP COc1ccc([C@H](C)C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931318578 661467050 /nfs/dbraw/zinc/46/70/50/661467050.db2.gz VDBQVOINLFWKDZ-LZQZEXGQSA-N 2 1 302.462 3.072 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931318578 661467052 /nfs/dbraw/zinc/46/70/52/661467052.db2.gz VDBQVOINLFWKDZ-LZQZEXGQSA-N 2 1 302.462 3.072 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000931318578 661467053 /nfs/dbraw/zinc/46/70/53/661467053.db2.gz VDBQVOINLFWKDZ-LZQZEXGQSA-N 2 1 302.462 3.072 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000931318578 661467054 /nfs/dbraw/zinc/46/70/54/661467054.db2.gz VDBQVOINLFWKDZ-LZQZEXGQSA-N 2 1 302.462 3.072 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)nc4ccccc34)C[C@@H]2C1 ZINC000931436250 661476176 /nfs/dbraw/zinc/47/61/76/661476176.db2.gz LJJBCUUTGRHSPZ-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)nc4ccccc34)C[C@@H]2C1 ZINC000931436250 661476179 /nfs/dbraw/zinc/47/61/79/661476179.db2.gz LJJBCUUTGRHSPZ-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)nc4ccccc34)C[C@@H]2C1 ZINC000931436250 661476182 /nfs/dbraw/zinc/47/61/82/661476182.db2.gz LJJBCUUTGRHSPZ-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C(C)C)c2C1 ZINC000931725675 661502658 /nfs/dbraw/zinc/50/26/58/661502658.db2.gz CDUJUJIVUYZMRJ-SFHVURJKSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C(C)C)c2C1 ZINC000931725675 661502660 /nfs/dbraw/zinc/50/26/60/661502660.db2.gz CDUJUJIVUYZMRJ-SFHVURJKSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)c2C1 ZINC000931725675 661502662 /nfs/dbraw/zinc/50/26/62/661502662.db2.gz CDUJUJIVUYZMRJ-SFHVURJKSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)c2C1 ZINC000931725675 661502663 /nfs/dbraw/zinc/50/26/63/661502663.db2.gz CDUJUJIVUYZMRJ-SFHVURJKSA-N 2 1 315.461 3.224 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000931751665 661505401 /nfs/dbraw/zinc/50/54/01/661505401.db2.gz DCLKETCQFLQJRW-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191205 661546922 /nfs/dbraw/zinc/54/69/22/661546922.db2.gz KXZPEJNBDXFZPJ-CABCVRRESA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191205 661546923 /nfs/dbraw/zinc/54/69/23/661546923.db2.gz KXZPEJNBDXFZPJ-CABCVRRESA-N 2 1 319.518 3.296 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191205 661546925 /nfs/dbraw/zinc/54/69/25/661546925.db2.gz KXZPEJNBDXFZPJ-CABCVRRESA-N 2 1 319.518 3.296 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734361 661654919 /nfs/dbraw/zinc/65/49/19/661654919.db2.gz RLFWBFUUQKBVOB-GBESFXJTSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734361 661654923 /nfs/dbraw/zinc/65/49/23/661654923.db2.gz RLFWBFUUQKBVOB-GBESFXJTSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734361 661654925 /nfs/dbraw/zinc/65/49/25/661654925.db2.gz RLFWBFUUQKBVOB-GBESFXJTSA-N 2 1 302.462 3.036 20 0 DGADMP Cc1ccc([C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000075713404 661944570 /nfs/dbraw/zinc/94/45/70/661944570.db2.gz IJORQCLTIAINDB-LJQANCHMSA-N 2 1 304.478 3.081 20 0 DGADMP C[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@H]1n1ccnc1 ZINC000246572029 662265194 /nfs/dbraw/zinc/26/51/94/662265194.db2.gz LGCMEHYEPMYHAD-QFBILLFUSA-N 2 1 321.428 3.287 20 0 DGADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248550869 662353161 /nfs/dbraw/zinc/35/31/61/662353161.db2.gz GLCKNVHGMMVDCY-SQGPQFPESA-N 2 1 316.489 3.137 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC000261970112 685122487 /nfs/dbraw/zinc/12/24/87/685122487.db2.gz YVZUUAJMNOXLOV-KBRIMQKVSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]21 ZINC000261970112 685122492 /nfs/dbraw/zinc/12/24/92/685122492.db2.gz YVZUUAJMNOXLOV-KBRIMQKVSA-N 2 1 315.392 3.040 20 0 DGADMP C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386048718 685176307 /nfs/dbraw/zinc/17/63/07/685176307.db2.gz UZJVSDRYVHFTRL-YSIASYRMSA-N 2 1 315.505 3.019 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]21 ZINC000388550839 685189926 /nfs/dbraw/zinc/18/99/26/685189926.db2.gz FXEHOPPAQIPHAS-CWRNSKLLSA-N 2 1 315.848 3.447 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]21 ZINC000388550839 685189928 /nfs/dbraw/zinc/18/99/28/685189928.db2.gz FXEHOPPAQIPHAS-CWRNSKLLSA-N 2 1 315.848 3.447 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396936975 685229219 /nfs/dbraw/zinc/22/92/19/685229219.db2.gz ZPIMBBSBLWUDIU-HKUYNNGSSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118888 685235188 /nfs/dbraw/zinc/23/51/88/685235188.db2.gz GPGRYOGXQBPSDU-KSSFIOAISA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118888 685235195 /nfs/dbraw/zinc/23/51/95/685235195.db2.gz GPGRYOGXQBPSDU-KSSFIOAISA-N 2 1 315.486 3.452 20 0 DGADMP C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1CCC[NH3+] ZINC001576524819 1191838151 /nfs/dbraw/zinc/83/81/51/1191838151.db2.gz VSSIKEOPARTZNQ-OAHLLOKOSA-N 2 1 316.367 3.331 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC[NH2+]1 ZINC001576623262 1191855330 /nfs/dbraw/zinc/85/53/30/1191855330.db2.gz IZFAWSYJEQXZRP-XJKSGUPXSA-N 2 1 315.392 3.243 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cncc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001576638192 1191858660 /nfs/dbraw/zinc/85/86/60/1191858660.db2.gz OPKZRVXUTMFUGE-GFCCVEGCSA-N 2 1 313.367 3.064 20 0 DGADMP C[C@@H]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001576671308 1191861932 /nfs/dbraw/zinc/86/19/32/1191861932.db2.gz XMRZIUPVQLDQRU-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC001576671308 1191861935 /nfs/dbraw/zinc/86/19/35/1191861935.db2.gz XMRZIUPVQLDQRU-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)C1 ZINC001576671317 1191862267 /nfs/dbraw/zinc/86/22/67/1191862267.db2.gz XXCBAOOJYYNZQB-GFEQUFNTSA-N 2 1 308.510 3.028 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)C1 ZINC001576710327 1191865444 /nfs/dbraw/zinc/86/54/44/1191865444.db2.gz ZWMSDWMHGXCZSF-KRWDZBQOSA-N 3 1 315.505 3.008 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001576731922 1191866434 /nfs/dbraw/zinc/86/64/34/1191866434.db2.gz OYRHWFOUPNEPIF-JSGCOSHPSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001576750965 1191867116 /nfs/dbraw/zinc/86/71/16/1191867116.db2.gz XLPIDJIZXFTTSC-POGZOPGASA-N 2 1 302.462 3.273 20 0 DGADMP C[C@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801271 1191870570 /nfs/dbraw/zinc/87/05/70/1191870570.db2.gz QEXZEVQEDKRHDN-BOMAWHNGSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801271 1191870573 /nfs/dbraw/zinc/87/05/73/1191870573.db2.gz QEXZEVQEDKRHDN-BOMAWHNGSA-N 2 1 308.510 3.292 20 0 DGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001577188829 1191888487 /nfs/dbraw/zinc/88/84/87/1191888487.db2.gz LXXFJHDGBQSAJV-LJISPDSOSA-N 2 1 309.251 3.050 20 0 DGADMP CCCCC[N@@H+](CCN[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001577432631 1191901261 /nfs/dbraw/zinc/90/12/61/1191901261.db2.gz KQEVAQDXRGHSSK-LJQANCHMSA-N 2 1 303.494 3.020 20 0 DGADMP CCOc1cc(C[NH2+]C2(C[NH3+])CCCC2)ccc1OC(F)F ZINC001578165950 1191929054 /nfs/dbraw/zinc/92/90/54/1191929054.db2.gz BOKWNZQHNZTDQT-UHFFFAOYSA-N 2 1 314.376 3.048 20 0 DGADMP CN(C)c1[nH+]ccc2cc(NC(=O)CCCCCC[NH3+])ccc21 ZINC001578432378 1191942951 /nfs/dbraw/zinc/94/29/51/1191942951.db2.gz JMLRAPYXGSFRLD-UHFFFAOYSA-N 2 1 314.433 3.149 20 0 DGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3cccc(C[NH3+])c3)c2)C1 ZINC001578528107 1191947575 /nfs/dbraw/zinc/94/75/75/1191947575.db2.gz DCQOZUALCMKVIX-SFHVURJKSA-N 2 1 323.440 3.207 20 0 DGADMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC001578692236 1191952266 /nfs/dbraw/zinc/95/22/66/1191952266.db2.gz YEGCZKJLBQTPGY-UHFFFAOYSA-N 2 1 320.383 3.243 20 0 DGADMP COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)o1 ZINC001579091449 1191966761 /nfs/dbraw/zinc/96/67/61/1191966761.db2.gz OXXNIDANEPBVQA-QGZVFWFLSA-N 2 1 300.402 3.222 20 0 DGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC001579194514 1191968690 /nfs/dbraw/zinc/96/86/90/1191968690.db2.gz QLDBOVWZCOIAGG-LSDHHAIUSA-N 2 1 320.477 3.041 20 0 DGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC1CC1 ZINC001579216077 1191969210 /nfs/dbraw/zinc/96/92/10/1191969210.db2.gz BFHFMVFIXQUJDD-QGZVFWFLSA-N 2 1 318.461 3.234 20 0 DGADMP CC(C)CSCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001620542981 1191976175 /nfs/dbraw/zinc/97/61/75/1191976175.db2.gz PDAMKMURNUXAQC-MRXNPFEDSA-N 2 1 307.507 3.371 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001579548520 1191979420 /nfs/dbraw/zinc/97/94/20/1191979420.db2.gz WJQSWUKZRUQQBW-PXNSSMCTSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1cc([C@@H]2CC[N@H+](C[C@@H](C[NH3+])C(C)C)C2)c(O)cc1Cl ZINC001579590979 1191981066 /nfs/dbraw/zinc/98/10/66/1191981066.db2.gz YMSHNECWCWSXCR-ZIAGYGMSSA-N 2 1 310.869 3.374 20 0 DGADMP Cc1ccc2c(C[NH2+][C@]3(C[NH3+])CCCC[C@H]3C)cc(=O)oc2c1 ZINC001579736897 1191989863 /nfs/dbraw/zinc/98/98/63/1191989863.db2.gz BQKNPNPPXOTZNC-KUHUBIRLSA-N 2 1 314.429 3.099 20 0 DGADMP FC(F)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC001580023894 1192003203 /nfs/dbraw/zinc/00/32/03/1192003203.db2.gz JGZLXGOSSZHQFA-OAHLLOKOSA-N 2 1 309.404 3.231 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCc2ccccn2)C1)C1CCCC1 ZINC001580126138 1192008722 /nfs/dbraw/zinc/00/87/22/1192008722.db2.gz GBJGNZBATYBBJZ-LPHOPBHVSA-N 2 1 301.478 3.244 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC001580215261 1192014232 /nfs/dbraw/zinc/01/42/32/1192014232.db2.gz GOQYECGZIMABBH-UFYCRDLUSA-N 2 1 316.489 3.228 20 0 DGADMP [NH3+]C[C@@]12C[N@@H+](CCCOCc3ccccc3)C[C@H]1CCCC2 ZINC001580254207 1192016267 /nfs/dbraw/zinc/01/62/67/1192016267.db2.gz BCPWEJNYBPCHDI-MOPGFXCFSA-N 2 1 302.462 3.044 20 0 DGADMP [NH3+]CC[C@H](O)C[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001580284463 1192019075 /nfs/dbraw/zinc/01/90/75/1192019075.db2.gz DLPOWTWAPXKNNC-IBGZPJMESA-N 2 1 312.457 3.294 20 0 DGADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC001580331457 1192021962 /nfs/dbraw/zinc/02/19/62/1192021962.db2.gz PKEFIIRDKUSQDB-JFIYKMOQSA-N 2 1 324.472 3.184 20 0 DGADMP [NH3+]Cc1ccc(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC001580339975 1192022152 /nfs/dbraw/zinc/02/21/52/1192022152.db2.gz ZIJFMSUYXCCLEG-FQEVSTJZSA-N 2 1 315.505 3.280 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCCN2CC2CCCCC2)cc1 ZINC001580339975 1192022154 /nfs/dbraw/zinc/02/21/54/1192022154.db2.gz ZIJFMSUYXCCLEG-FQEVSTJZSA-N 2 1 315.505 3.280 20 0 DGADMP OCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC001580881867 1192043499 /nfs/dbraw/zinc/04/34/99/1192043499.db2.gz MBNQIZOJZRYNMH-ABAIWWIYSA-N 2 1 317.260 3.006 20 0 DGADMP c1c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC001580888760 1192043960 /nfs/dbraw/zinc/04/39/60/1192043960.db2.gz YGKGLJBSMDNKTC-CABCVRRESA-N 2 1 320.502 3.032 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc3nsnc32)C1 ZINC001620724445 1192076227 /nfs/dbraw/zinc/07/62/27/1192076227.db2.gz XFVCQKIJSVHXIB-OKILXGFUSA-N 2 1 318.490 3.149 20 0 DGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001620810727 1192105593 /nfs/dbraw/zinc/10/55/93/1192105593.db2.gz ZBROEXPOMJVFGQ-VQTJNVASSA-N 2 1 316.489 3.039 20 0 DGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001620810727 1192105594 /nfs/dbraw/zinc/10/55/94/1192105594.db2.gz ZBROEXPOMJVFGQ-VQTJNVASSA-N 2 1 316.489 3.039 20 0 DGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001620810726 1192105747 /nfs/dbraw/zinc/10/57/47/1192105747.db2.gz ZBROEXPOMJVFGQ-UXHICEINSA-N 2 1 316.489 3.039 20 0 DGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001620810726 1192105750 /nfs/dbraw/zinc/10/57/50/1192105750.db2.gz ZBROEXPOMJVFGQ-UXHICEINSA-N 2 1 316.489 3.039 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001620819691 1192156106 /nfs/dbraw/zinc/15/61/06/1192156106.db2.gz ZOHWZOYQJVYJBF-HZPDHXFCSA-N 2 1 308.853 3.237 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001620823584 1192190482 /nfs/dbraw/zinc/19/04/82/1192190482.db2.gz AIQBEIAWWRIJKG-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001620823584 1192190491 /nfs/dbraw/zinc/19/04/91/1192190491.db2.gz AIQBEIAWWRIJKG-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001620823584 1192190493 /nfs/dbraw/zinc/19/04/93/1192190493.db2.gz AIQBEIAWWRIJKG-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CCO[C@H](C[NH2+][C@H](C)CC(C)(C)c1ccccc1)C[NH+](C)C ZINC001665623287 1197160201 /nfs/dbraw/zinc/16/02/01/1197160201.db2.gz DDMQTAKDFPVAAC-SJLPKXTDSA-N 2 1 306.494 3.299 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Br)cs2)CC1 ZINC000083419100 1176282657 /nfs/dbraw/zinc/28/26/57/1176282657.db2.gz VPSAUISAKOLPDG-LLVKDONJSA-N 2 1 303.269 3.085 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001691475402 1176633044 /nfs/dbraw/zinc/63/30/44/1176633044.db2.gz QBGITTHUEVKJHQ-KSZLIROESA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001691475402 1176633049 /nfs/dbraw/zinc/63/30/49/1176633049.db2.gz QBGITTHUEVKJHQ-KSZLIROESA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001691475402 1176633054 /nfs/dbraw/zinc/63/30/54/1176633054.db2.gz QBGITTHUEVKJHQ-KSZLIROESA-N 2 1 323.525 3.019 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000168042462 1176638689 /nfs/dbraw/zinc/63/86/89/1176638689.db2.gz JAXSWCIVIFFUTI-GFCCVEGCSA-N 2 1 314.351 3.001 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000161633046 1176669400 /nfs/dbraw/zinc/66/94/00/1176669400.db2.gz TXGOBFAPGISDTB-KVSKMBFKSA-N 2 1 310.445 3.150 20 0 DGADMP CC(C)(C)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000393944755 1176735509 /nfs/dbraw/zinc/73/55/09/1176735509.db2.gz LEBWRTBZUFAAJL-GOSISDBHSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)CC2 ZINC000378907719 1176749992 /nfs/dbraw/zinc/74/99/92/1176749992.db2.gz GIZOTLFJFCAWKM-GOSISDBHSA-N 2 1 316.489 3.407 20 0 DGADMP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000378916604 1176753168 /nfs/dbraw/zinc/75/31/68/1176753168.db2.gz MNIQIFYEFVTCQV-IBGZPJMESA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC000378929175 1176755338 /nfs/dbraw/zinc/75/53/38/1176755338.db2.gz WNCUUNFIEBWUOT-ICSRJNTNSA-N 2 1 316.489 3.263 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168192459 1177005668 /nfs/dbraw/zinc/00/56/68/1177005668.db2.gz WPVBHXBHAVQTMV-ZDUSSCGKSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168192459 1177005678 /nfs/dbraw/zinc/00/56/78/1177005678.db2.gz WPVBHXBHAVQTMV-ZDUSSCGKSA-N 2 1 316.367 3.249 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000292908263 1177527557 /nfs/dbraw/zinc/52/75/57/1177527557.db2.gz WPEPAODQMZWXTA-HNJRGHQBSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000292908263 1177527562 /nfs/dbraw/zinc/52/75/62/1177527562.db2.gz WPEPAODQMZWXTA-HNJRGHQBSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000292908263 1177527565 /nfs/dbraw/zinc/52/75/65/1177527565.db2.gz WPEPAODQMZWXTA-HNJRGHQBSA-N 2 1 316.489 3.396 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C1CCCCCC1 ZINC001670974395 1177558442 /nfs/dbraw/zinc/55/84/42/1177558442.db2.gz UKDUBBMNLQHLHV-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C1CCCCCC1 ZINC001670974395 1177558445 /nfs/dbraw/zinc/55/84/45/1177558445.db2.gz UKDUBBMNLQHLHV-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C1CCCCCC1 ZINC001670974395 1177558450 /nfs/dbraw/zinc/55/84/50/1177558450.db2.gz UKDUBBMNLQHLHV-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001331229035 1178160532 /nfs/dbraw/zinc/16/05/32/1178160532.db2.gz GNKQNQDGYOPQCO-IAFLDTSXSA-N 3 1 307.526 3.246 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Br)cc1Cl ZINC001331417498 1178208085 /nfs/dbraw/zinc/20/80/85/1178208085.db2.gz BPDQUYQIFSIPGP-VIFPVBQESA-N 2 1 305.647 3.190 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964648 1178322785 /nfs/dbraw/zinc/32/27/85/1178322785.db2.gz JRGNKVRNCCKVMF-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964648 1178322790 /nfs/dbraw/zinc/32/27/90/1178322790.db2.gz JRGNKVRNCCKVMF-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001332011908 1178335825 /nfs/dbraw/zinc/33/58/25/1178335825.db2.gz IYKACAFJLLXFBQ-UHFFFAOYSA-N 2 1 322.522 3.145 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001332360107 1178428092 /nfs/dbraw/zinc/42/80/92/1178428092.db2.gz RBDKQYBGDNYQPG-CABCVRRESA-N 2 1 321.896 3.228 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC001333331702 1178590545 /nfs/dbraw/zinc/59/05/45/1178590545.db2.gz FTKGQIJUWVLPBS-GOSISDBHSA-N 2 1 317.477 3.260 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)cc1OC ZINC001333477734 1178611730 /nfs/dbraw/zinc/61/17/30/1178611730.db2.gz GLQJQRDHXHCGOL-USXIJHARSA-N 2 1 320.477 3.097 20 0 DGADMP c1cc2c(c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n1)CCCC2 ZINC001333681354 1178652724 /nfs/dbraw/zinc/65/27/24/1178652724.db2.gz OJCAFYZAZYCMRL-KRWDZBQOSA-N 2 1 313.489 3.268 20 0 DGADMP c1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n1)CCCC2 ZINC001333681354 1178652729 /nfs/dbraw/zinc/65/27/29/1178652729.db2.gz OJCAFYZAZYCMRL-KRWDZBQOSA-N 2 1 313.489 3.268 20 0 DGADMP COc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)nc1 ZINC001333718964 1178659377 /nfs/dbraw/zinc/65/93/77/1178659377.db2.gz UXGBSRKZSIDWAQ-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]2C1 ZINC001333891059 1178691957 /nfs/dbraw/zinc/69/19/57/1178691957.db2.gz IVWZVSUWRGAQLN-SQGPQFPESA-N 2 1 324.472 3.034 20 0 DGADMP CC(C[NH+]1CCCSC[C@@H]1C)C[N@H+]1CCCSC[C@@H]1C ZINC001334680544 1178779500 /nfs/dbraw/zinc/77/95/00/1178779500.db2.gz XWONZUOCWICERY-HOTGVXAUSA-N 2 1 316.580 3.277 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(COC(C)=O)c2)C1 ZINC001334732513 1178787212 /nfs/dbraw/zinc/78/72/12/1178787212.db2.gz QJLVRIWHSAOLHF-QAPCUYQASA-N 2 1 318.461 3.132 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3F)C[C@@H]2C1 ZINC001335133177 1178857889 /nfs/dbraw/zinc/85/78/89/1178857889.db2.gz DEACNJACTWVFQR-YQQAZPJKSA-N 2 1 308.416 3.169 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)C[C@H]2C1 ZINC001335581910 1178932660 /nfs/dbraw/zinc/93/26/60/1178932660.db2.gz HOVIAIRAPJQILF-BRSBDYLESA-N 2 1 314.473 3.215 20 0 DGADMP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001342381833 1179135902 /nfs/dbraw/zinc/13/59/02/1179135902.db2.gz XGGPCIQTWPDXRJ-ABAIWWIYSA-N 2 1 311.857 3.104 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC001351989695 1180274671 /nfs/dbraw/zinc/27/46/71/1180274671.db2.gz HFSUJAPKTXHQDQ-RDTXWAMCSA-N 2 1 311.429 3.164 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001353942172 1180689623 /nfs/dbraw/zinc/68/96/23/1180689623.db2.gz AHZLDAGSAKRHEY-FQEVSTJZSA-N 2 1 313.489 3.252 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC001354206333 1180744907 /nfs/dbraw/zinc/74/49/07/1180744907.db2.gz YKLRWIYDCCMGNY-JKSUJKDBSA-N 2 1 304.478 3.297 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001354461336 1180801889 /nfs/dbraw/zinc/80/18/89/1180801889.db2.gz WTPXFHBRTWWCMV-IRXDYDNUSA-N 2 1 317.477 3.166 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)[C@@H](C)C1 ZINC001413959259 1181754214 /nfs/dbraw/zinc/75/42/14/1181754214.db2.gz BIEQMGUIAUSRTD-KBXCAEBGSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@@H](C)C1 ZINC001413959259 1181754217 /nfs/dbraw/zinc/75/42/17/1181754217.db2.gz BIEQMGUIAUSRTD-KBXCAEBGSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@@H](C)C1 ZINC001413959259 1181754220 /nfs/dbraw/zinc/75/42/20/1181754220.db2.gz BIEQMGUIAUSRTD-KBXCAEBGSA-N 2 1 313.445 3.103 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(Br)cc1F ZINC001579601762 1181831613 /nfs/dbraw/zinc/83/16/13/1181831613.db2.gz ZJSPGGRAQAKQKJ-VXGBXAGGSA-N 2 1 315.230 3.256 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459644563 1182602065 /nfs/dbraw/zinc/60/20/65/1182602065.db2.gz CNKUPEHKDCTCSN-LNLFQRSKSA-N 2 1 308.510 3.388 20 0 DGADMP CN(CC[N@@H+](C)C1CC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001459962554 1182633862 /nfs/dbraw/zinc/63/38/62/1182633862.db2.gz DSRFBSYNACMGPQ-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)CCc1ccccc1 ZINC001460689360 1182708439 /nfs/dbraw/zinc/70/84/39/1182708439.db2.gz ICPHBJOFIOOIDZ-FQEVSTJZSA-N 2 1 318.505 3.178 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001461182681 1182779905 /nfs/dbraw/zinc/77/99/05/1182779905.db2.gz QIGZWPBRAKLORF-IRXDYDNUSA-N 2 1 302.462 3.407 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001461182681 1182779908 /nfs/dbraw/zinc/77/99/08/1182779908.db2.gz QIGZWPBRAKLORF-IRXDYDNUSA-N 2 1 302.462 3.407 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cc2ccccc2[nH]c1=O)[NH+]1CCCCC1 ZINC001461432780 1182813987 /nfs/dbraw/zinc/81/39/87/1182813987.db2.gz SLSGAMKQTAKBCI-HNNXBMFYSA-N 2 1 313.445 3.295 20 0 DGADMP Cc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682210 1182842696 /nfs/dbraw/zinc/84/26/96/1182842696.db2.gz NEEYOIDMWYGMJF-SFHVURJKSA-N 2 1 313.489 3.375 20 0 DGADMP Cc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682210 1182842704 /nfs/dbraw/zinc/84/27/04/1182842704.db2.gz NEEYOIDMWYGMJF-SFHVURJKSA-N 2 1 313.489 3.375 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c(Br)c1 ZINC001461830774 1182864696 /nfs/dbraw/zinc/86/46/96/1182864696.db2.gz OWOBKJLHQDTCKF-IIAWOOMASA-N 2 1 323.278 3.187 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c(Br)c1 ZINC001461830774 1182864704 /nfs/dbraw/zinc/86/47/04/1182864704.db2.gz OWOBKJLHQDTCKF-IIAWOOMASA-N 2 1 323.278 3.187 20 0 DGADMP COc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC001462079449 1182904866 /nfs/dbraw/zinc/90/48/66/1182904866.db2.gz JECBAUGOCGIGGN-CVEARBPZSA-N 2 1 317.477 3.141 20 0 DGADMP COc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C ZINC001462079449 1182904871 /nfs/dbraw/zinc/90/48/71/1182904871.db2.gz JECBAUGOCGIGGN-CVEARBPZSA-N 2 1 317.477 3.141 20 0 DGADMP CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C[NH+](C)C ZINC001462573824 1182971417 /nfs/dbraw/zinc/97/14/17/1182971417.db2.gz POFZZNUTNGESRU-CEXWTWQISA-N 2 1 304.478 3.269 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001473219312 1183731487 /nfs/dbraw/zinc/73/14/87/1183731487.db2.gz FECCNKIWPCYBNW-OWSLCNJRSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001473219312 1183731491 /nfs/dbraw/zinc/73/14/91/1183731491.db2.gz FECCNKIWPCYBNW-OWSLCNJRSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001473219312 1183731494 /nfs/dbraw/zinc/73/14/94/1183731494.db2.gz FECCNKIWPCYBNW-OWSLCNJRSA-N 2 1 320.427 3.451 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](COC)C(C)C ZINC001473690867 1183790108 /nfs/dbraw/zinc/79/01/08/1183790108.db2.gz OGNIQFUNWWQNFK-IBGZPJMESA-N 2 1 306.494 3.489 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCC1(C)C ZINC001473702042 1183791438 /nfs/dbraw/zinc/79/14/38/1183791438.db2.gz AEMIXOQYGARSBX-SFHVURJKSA-N 2 1 310.526 3.493 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001473716862 1183793114 /nfs/dbraw/zinc/79/31/14/1183793114.db2.gz MLQPFNJTAJGKDC-LJQANCHMSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001473716857 1183793185 /nfs/dbraw/zinc/79/31/85/1183793185.db2.gz MLQPFNJTAJGKDC-IBGZPJMESA-N 2 1 318.509 3.086 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCc2ccccn2)CC1 ZINC001473717695 1183793404 /nfs/dbraw/zinc/79/34/04/1183793404.db2.gz ZLKFRGZMMLOGOR-IBGZPJMESA-N 2 1 301.478 3.211 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001473757213 1183798185 /nfs/dbraw/zinc/79/81/85/1183798185.db2.gz YRGZRQGNKBGNMW-WOJBJXKFSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001473757213 1183798189 /nfs/dbraw/zinc/79/81/89/1183798189.db2.gz YRGZRQGNKBGNMW-WOJBJXKFSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001473757213 1183798192 /nfs/dbraw/zinc/79/81/92/1183798192.db2.gz YRGZRQGNKBGNMW-WOJBJXKFSA-N 2 1 318.505 3.176 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCN1c1cc[nH+]cc1 ZINC001473759882 1183799620 /nfs/dbraw/zinc/79/96/20/1183799620.db2.gz QPIQELYODIGWKA-AUUYWEPGSA-N 2 1 311.404 3.419 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@]1(CO)CC[C@H](C)c2ccccc21 ZINC001473884710 1183819333 /nfs/dbraw/zinc/81/93/33/1183819333.db2.gz AALZSMNSJFJZRB-LPHOPBHVSA-N 2 1 304.478 3.093 20 0 DGADMP CCC1(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001473917481 1183827056 /nfs/dbraw/zinc/82/70/56/1183827056.db2.gz AJJFCNWZLFGDGC-UHFFFAOYSA-N 2 1 304.478 3.305 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCSc1ccccc1 ZINC001473922276 1183828874 /nfs/dbraw/zinc/82/88/74/1183828874.db2.gz JIHOISRNNXGQSK-UHFFFAOYSA-N 2 1 301.459 3.420 20 0 DGADMP CC(C)[C@@H](CNCc1c[nH+]ccc1N(C)C)[NH+]1CCCCCC1 ZINC001473925025 1183830436 /nfs/dbraw/zinc/83/04/36/1183830436.db2.gz CGHCDVVZFDEUGI-LJQANCHMSA-N 2 1 318.509 3.138 20 0 DGADMP CN(C)c1ccccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001473929316 1183830461 /nfs/dbraw/zinc/83/04/61/1183830461.db2.gz CVYRDXKKRUOOJR-UHFFFAOYSA-N 2 1 323.484 3.291 20 0 DGADMP CN(C)c1ccccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001473929316 1183830463 /nfs/dbraw/zinc/83/04/63/1183830463.db2.gz CVYRDXKKRUOOJR-UHFFFAOYSA-N 2 1 323.484 3.291 20 0 DGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC001474018849 1183851436 /nfs/dbraw/zinc/85/14/36/1183851436.db2.gz HFAXPYDABRIBGK-WBVHZDCISA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC001474018849 1183851446 /nfs/dbraw/zinc/85/14/46/1183851446.db2.gz HFAXPYDABRIBGK-WBVHZDCISA-N 2 1 318.490 3.137 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001474029491 1183853858 /nfs/dbraw/zinc/85/38/58/1183853858.db2.gz VMZQTOZOJMEWTM-HOTGVXAUSA-N 2 1 317.408 3.042 20 0 DGADMP COCCOc1ccccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001474108955 1183868339 /nfs/dbraw/zinc/86/83/39/1183868339.db2.gz MHNHAPJNUSPHKM-KRWDZBQOSA-N 2 1 320.477 3.066 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001474167360 1183876402 /nfs/dbraw/zinc/87/64/02/1183876402.db2.gz CVMBYOBGVHWGCL-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001474167360 1183876406 /nfs/dbraw/zinc/87/64/06/1183876406.db2.gz CVMBYOBGVHWGCL-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC001474320752 1183903115 /nfs/dbraw/zinc/90/31/15/1183903115.db2.gz PNAVTEGKEPERDN-MSOLQXFVSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001474320752 1183903120 /nfs/dbraw/zinc/90/31/20/1183903120.db2.gz PNAVTEGKEPERDN-MSOLQXFVSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001474320752 1183903125 /nfs/dbraw/zinc/90/31/25/1183903125.db2.gz PNAVTEGKEPERDN-MSOLQXFVSA-N 2 1 304.503 3.466 20 0 DGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC001474344921 1183907259 /nfs/dbraw/zinc/90/72/59/1183907259.db2.gz XLAFWQMCELQZMF-AWEZNQCLSA-N 2 1 312.442 3.392 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)CC1 ZINC001474503797 1183931481 /nfs/dbraw/zinc/93/14/81/1183931481.db2.gz RJKJHVNYWFIFSU-DYESRHJHSA-N 2 1 312.501 3.455 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)CC1 ZINC001474503798 1183932086 /nfs/dbraw/zinc/93/20/86/1183932086.db2.gz RJKJHVNYWFIFSU-LAUBAEHRSA-N 2 1 312.501 3.455 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001474553837 1183939570 /nfs/dbraw/zinc/93/95/70/1183939570.db2.gz YOMPRQKAMOYFBB-MSOLQXFVSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001474553837 1183939573 /nfs/dbraw/zinc/93/95/73/1183939573.db2.gz YOMPRQKAMOYFBB-MSOLQXFVSA-N 2 1 303.494 3.223 20 0 DGADMP CC(C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001499840974 1185704667 /nfs/dbraw/zinc/70/46/67/1185704667.db2.gz OOIQTUVOBABODI-SJORKVTESA-N 2 1 323.525 3.019 20 0 DGADMP CC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001502501524 1185988467 /nfs/dbraw/zinc/98/84/67/1185988467.db2.gz DGZUKKIIUBABBP-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001507088747 1186358654 /nfs/dbraw/zinc/35/86/54/1186358654.db2.gz JTJILBDEHMFEHJ-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)c2C1 ZINC001521463761 1187024787 /nfs/dbraw/zinc/02/47/87/1187024787.db2.gz NJUIWEHXHUVBQN-INIZCTEOSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)c2C1 ZINC001521463761 1187024790 /nfs/dbraw/zinc/02/47/90/1187024790.db2.gz NJUIWEHXHUVBQN-INIZCTEOSA-N 2 1 303.450 3.114 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184467 1193516657 /nfs/dbraw/zinc/51/66/57/1193516657.db2.gz KTNPJUMHKBRFRH-RTBURBONSA-N 2 1 318.505 3.434 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184467 1193516658 /nfs/dbraw/zinc/51/66/58/1193516658.db2.gz KTNPJUMHKBRFRH-RTBURBONSA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184467 1193516661 /nfs/dbraw/zinc/51/66/61/1193516661.db2.gz KTNPJUMHKBRFRH-RTBURBONSA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184467 1193516662 /nfs/dbraw/zinc/51/66/62/1193516662.db2.gz KTNPJUMHKBRFRH-RTBURBONSA-N 2 1 318.505 3.434 20 0 DGADMP C[N@H+](C[C@H]1CC(C)(C)CO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001615664856 1193525892 /nfs/dbraw/zinc/52/58/92/1193525892.db2.gz HANYTBGVXOKTSV-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@H]1CC(C)(C)CO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001615664856 1193525895 /nfs/dbraw/zinc/52/58/95/1193525895.db2.gz HANYTBGVXOKTSV-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@H]1CC(C)(C)CO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001615664856 1193525897 /nfs/dbraw/zinc/52/58/97/1193525897.db2.gz HANYTBGVXOKTSV-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC(C)(C)CO1 ZINC001615664852 1193526086 /nfs/dbraw/zinc/52/60/86/1193526086.db2.gz HANYTBGVXOKTSV-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CC(C)(C)CO1 ZINC001615664852 1193526087 /nfs/dbraw/zinc/52/60/87/1193526087.db2.gz HANYTBGVXOKTSV-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC(C)(C)CO1 ZINC001615664852 1193526089 /nfs/dbraw/zinc/52/60/89/1193526089.db2.gz HANYTBGVXOKTSV-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001615811281 1193528110 /nfs/dbraw/zinc/52/81/10/1193528110.db2.gz AXDGDJCPKDUMRW-AWEZNQCLSA-N 2 1 310.404 3.152 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001616999716 1193554487 /nfs/dbraw/zinc/55/44/87/1193554487.db2.gz ZPHWMFYHXJTHNS-KVPLUYHFSA-N 2 1 316.489 3.159 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)c1OC(C)C ZINC001549087454 1188492346 /nfs/dbraw/zinc/49/23/46/1188492346.db2.gz LLNIJHLWEBPCLP-APWZRJJASA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)c1OC(C)C ZINC001549087454 1188492350 /nfs/dbraw/zinc/49/23/50/1188492350.db2.gz LLNIJHLWEBPCLP-APWZRJJASA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001549087397 1188492454 /nfs/dbraw/zinc/49/24/54/1188492454.db2.gz IOFQFHSHRRZDIS-CRAIPNDOSA-N 2 1 313.470 3.371 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC001549181938 1188500721 /nfs/dbraw/zinc/50/07/21/1188500721.db2.gz TXCNVVINGKHCHY-LMCOJAPRSA-N 2 1 316.489 3.173 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+]C2CC(CF)(CF)C2)[C@@H](c2ccccc2)C1 ZINC001549188365 1188501757 /nfs/dbraw/zinc/50/17/57/1188501757.db2.gz QAAKPPKLLATMAX-DOTOQJQBSA-N 2 1 308.416 3.009 20 0 DGADMP C[C@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175383 1188591330 /nfs/dbraw/zinc/59/13/30/1188591330.db2.gz PSIFRIKFDFTLIH-WSTOCAFGSA-N 2 1 320.864 3.231 20 0 DGADMP C[C@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175383 1188591336 /nfs/dbraw/zinc/59/13/36/1188591336.db2.gz PSIFRIKFDFTLIH-WSTOCAFGSA-N 2 1 320.864 3.231 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)oc1C ZINC001550351011 1188609338 /nfs/dbraw/zinc/60/93/38/1188609338.db2.gz HUICGTHPSQAHNW-MCLUSKDASA-N 2 1 320.477 3.027 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+][C@H]1CCC[C@H](C3CC3)C1)[C@@H](O)C2 ZINC001550349759 1188609449 /nfs/dbraw/zinc/60/94/49/1188609449.db2.gz CACZOKCAJVKIIG-MJUPKGCFSA-N 2 1 320.521 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCCC[C@@H]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550350857 1188609464 /nfs/dbraw/zinc/60/94/64/1188609464.db2.gz AROKIQGMCRWNDO-ZOFHRBRSSA-N 2 1 308.510 3.025 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C2 ZINC001550353259 1188609990 /nfs/dbraw/zinc/60/99/90/1188609990.db2.gz QXVMTWSWNRRILC-WSRJKRBPSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3sccc3C)C2)[C@@H]1C(C)C ZINC001550423846 1188614987 /nfs/dbraw/zinc/61/49/87/1188614987.db2.gz SSPFCFSKCATATA-LAQRGFTBSA-N 2 1 322.518 3.016 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)C[C@H]2C1 ZINC001550541522 1188622953 /nfs/dbraw/zinc/62/29/53/1188622953.db2.gz YVLGEYXABGLKHC-DZGCQCFKSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]2C1 ZINC001550541522 1188622955 /nfs/dbraw/zinc/62/29/55/1188622955.db2.gz YVLGEYXABGLKHC-DZGCQCFKSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]2C1 ZINC001550541522 1188622958 /nfs/dbraw/zinc/62/29/58/1188622958.db2.gz YVLGEYXABGLKHC-DZGCQCFKSA-N 2 1 315.848 3.272 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CC(F)(F)CO2)C1)C1CCCC1 ZINC001550702198 1188642662 /nfs/dbraw/zinc/64/26/62/1188642662.db2.gz JBYGMWQPRQTTAZ-NUEKZKHPSA-N 2 1 316.436 3.030 20 0 DGADMP Cn1cc[nH+]c1[C@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001550952905 1188674671 /nfs/dbraw/zinc/67/46/71/1188674671.db2.gz PGZFZXBRWIYRSH-SDDULXJBSA-N 3 1 316.493 3.053 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CCO1 ZINC001551259627 1188722468 /nfs/dbraw/zinc/72/24/68/1188722468.db2.gz GQTQAFDPYXJKIM-SPOLIRPYSA-N 2 1 308.510 3.100 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3COCC[C@H]32)cc(C[NH+]2CCCCC2)c1 ZINC001551392002 1188735289 /nfs/dbraw/zinc/73/52/89/1188735289.db2.gz SHTSUIILLKIYSE-WOJBJXKFSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3COCC[C@H]32)cc(C[NH+]2CCCCC2)c1 ZINC001551391998 1188735364 /nfs/dbraw/zinc/73/53/64/1188735364.db2.gz SHTSUIILLKIYSE-VQTJNVASSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc2c(cccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC001552212639 1188825568 /nfs/dbraw/zinc/82/55/68/1188825568.db2.gz DGMKKYSHFFBQET-KRWDZBQOSA-N 2 1 314.429 3.166 20 0 DGADMP OCCC1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001552339404 1188837647 /nfs/dbraw/zinc/83/76/47/1188837647.db2.gz LOMBAWSSJRYGRO-SOTJZCEJSA-N 2 1 302.462 3.011 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001552895200 1188881343 /nfs/dbraw/zinc/88/13/43/1188881343.db2.gz CEKXHJGFZQSKMT-FPVZDTGUSA-N 2 1 314.473 3.499 20 0 DGADMP CC(C)[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001552928695 1188882882 /nfs/dbraw/zinc/88/28/82/1188882882.db2.gz DMNTZEAMDDQOSE-CEXWTWQISA-N 2 1 314.473 3.022 20 0 DGADMP Clc1ccccc1C1CC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC001553027827 1188891012 /nfs/dbraw/zinc/89/10/12/1188891012.db2.gz OWEVLNGOBCXNDC-BQOHILDUSA-N 2 1 302.849 3.172 20 0 DGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001553026275 1188891071 /nfs/dbraw/zinc/89/10/71/1188891071.db2.gz WSHHTADQELRBJW-CWLKWCNXSA-N 2 1 300.446 3.185 20 0 DGADMP Clc1ccccc1C1CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC001553027832 1188891739 /nfs/dbraw/zinc/89/17/39/1188891739.db2.gz OWEVLNGOBCXNDC-GRBJGEQJSA-N 2 1 302.849 3.172 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC001559743436 1189236871 /nfs/dbraw/zinc/23/68/71/1189236871.db2.gz MQUYQTVTQCBRKB-UHFFFAOYSA-N 2 1 312.498 3.020 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC001559792534 1189242636 /nfs/dbraw/zinc/24/26/36/1189242636.db2.gz MCEQTOUHJNAHAV-LJQANCHMSA-N 2 1 316.489 3.145 20 0 DGADMP CCO[C@H](C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001560069327 1189274694 /nfs/dbraw/zinc/27/46/94/1189274694.db2.gz PZFOIPDEOHPYEI-RBUKOAKNSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC001560260889 1189301045 /nfs/dbraw/zinc/30/10/45/1189301045.db2.gz ZXNQMBBJFRLVLA-AEFFLSMTSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001560266933 1189302654 /nfs/dbraw/zinc/30/26/54/1189302654.db2.gz XBYJZJFVOTYLSS-BRWVUGGUSA-N 2 1 317.477 3.114 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001560266933 1189302659 /nfs/dbraw/zinc/30/26/59/1189302659.db2.gz XBYJZJFVOTYLSS-BRWVUGGUSA-N 2 1 317.477 3.114 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001560319632 1189311279 /nfs/dbraw/zinc/31/12/79/1189311279.db2.gz QSWPXLCUYVRDFS-SCTDSRPQSA-N 2 1 303.494 3.142 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC001560433765 1189328210 /nfs/dbraw/zinc/32/82/10/1189328210.db2.gz XFOYXMYFMZURJU-RYRKJORJSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC001560433765 1189328214 /nfs/dbraw/zinc/32/82/14/1189328214.db2.gz XFOYXMYFMZURJU-RYRKJORJSA-N 2 1 300.446 3.289 20 0 DGADMP CN(C)c1ccc(F)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001560460068 1189330589 /nfs/dbraw/zinc/33/05/89/1189330589.db2.gz SDHMBLBTQXTVLK-UHFFFAOYSA-N 2 1 307.457 3.103 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC001560523655 1189335350 /nfs/dbraw/zinc/33/53/50/1189335350.db2.gz MCAQNXHNABDNGK-UHFFFAOYSA-N 2 1 314.477 3.453 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC001560523655 1189335353 /nfs/dbraw/zinc/33/53/53/1189335353.db2.gz MCAQNXHNABDNGK-UHFFFAOYSA-N 2 1 314.477 3.453 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001560523936 1189337005 /nfs/dbraw/zinc/33/70/05/1189337005.db2.gz TZHQIICAYBLAAY-UHFFFAOYSA-N 2 1 314.376 3.076 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001560523936 1189337008 /nfs/dbraw/zinc/33/70/08/1189337008.db2.gz TZHQIICAYBLAAY-UHFFFAOYSA-N 2 1 314.376 3.076 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC001560533731 1189337773 /nfs/dbraw/zinc/33/77/73/1189337773.db2.gz XDJZIWIRGZTLPP-QZTJIDSGSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)nc3c2CCCC3)[C@H](C)C1 ZINC001560637748 1189352005 /nfs/dbraw/zinc/35/20/05/1189352005.db2.gz NUOZJXCXOOXFHB-FOIQADDNSA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc3c2CCCC3)[C@H](C)C1 ZINC001560637748 1189352017 /nfs/dbraw/zinc/35/20/17/1189352017.db2.gz NUOZJXCXOOXFHB-FOIQADDNSA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc3c2CCCC3)[C@H](C)C1 ZINC001560637748 1189352021 /nfs/dbraw/zinc/35/20/21/1189352021.db2.gz NUOZJXCXOOXFHB-FOIQADDNSA-N 2 1 315.505 3.431 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638121 1189353653 /nfs/dbraw/zinc/35/36/53/1189353653.db2.gz ANMNDQLYKJYSQA-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638121 1189353655 /nfs/dbraw/zinc/35/36/55/1189353655.db2.gz ANMNDQLYKJYSQA-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638121 1189353660 /nfs/dbraw/zinc/35/36/60/1189353660.db2.gz ANMNDQLYKJYSQA-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4scnc4c3)CC[C@H]21 ZINC001560638121 1189353664 /nfs/dbraw/zinc/35/36/64/1189353664.db2.gz ANMNDQLYKJYSQA-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001560661878 1189356515 /nfs/dbraw/zinc/35/65/15/1189356515.db2.gz KIVDFLZDYBCBSL-DOTOQJQBSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001560661878 1189356518 /nfs/dbraw/zinc/35/65/18/1189356518.db2.gz KIVDFLZDYBCBSL-DOTOQJQBSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)CC1CC[NH+](C)CC1 ZINC001561051251 1189426533 /nfs/dbraw/zinc/42/65/33/1189426533.db2.gz SNHMGZZQQHNSPA-CQSZACIVSA-N 2 1 321.534 3.432 20 0 DGADMP CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570512703 1190872162 /nfs/dbraw/zinc/87/21/62/1190872162.db2.gz AJHBVUXWOUOOOC-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCOc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC001620756586 1191438919 /nfs/dbraw/zinc/43/89/19/1191438919.db2.gz ZXNQELQUOSMIOT-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP CC(C)(C)Oc1ccc(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001575258358 1191470327 /nfs/dbraw/zinc/47/03/27/1191470327.db2.gz IHYGIUSOFUNMQF-LBPRGKRZSA-N 2 1 304.356 3.233 20 0 DGADMP CC(C)[C@@H]1[N@@H+](Cc2cc(C3C[NH2+]C3)no2)CC12CCCCC2 ZINC001575521878 1191487918 /nfs/dbraw/zinc/48/79/18/1191487918.db2.gz VNYBDTJTVRSGNA-KRWDZBQOSA-N 2 1 303.450 3.152 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001575615439 1191496811 /nfs/dbraw/zinc/49/68/11/1191496811.db2.gz ZNUINMSEDHFMPE-PKOBYXMFSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC001575656373 1191500969 /nfs/dbraw/zinc/50/09/69/1191500969.db2.gz XVKCZTALSBEOMN-HKUYNNGSSA-N 2 1 301.478 3.244 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001575699943 1191504423 /nfs/dbraw/zinc/50/44/23/1191504423.db2.gz LFSZEFARUMARRM-MSOLQXFVSA-N 2 1 307.526 3.233 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CC3(CO1)CCCCC3)C2 ZINC001618053994 1193723240 /nfs/dbraw/zinc/72/32/40/1193723240.db2.gz AJJUYSXRKSOSEJ-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CC3(CO1)CCCCC3)C2 ZINC001618053994 1193723244 /nfs/dbraw/zinc/72/32/44/1193723244.db2.gz AJJUYSXRKSOSEJ-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CC3(CO1)CCCCC3)C2 ZINC001618053994 1193723246 /nfs/dbraw/zinc/72/32/46/1193723246.db2.gz AJJUYSXRKSOSEJ-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC001621099826 1193757653 /nfs/dbraw/zinc/75/76/53/1193757653.db2.gz LGJSPEFRHNZUAT-OALUTQOASA-N 2 1 316.489 3.159 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)CC1CC[NH+](C)CC1 ZINC001620524638 1193775870 /nfs/dbraw/zinc/77/58/70/1193775870.db2.gz HNJFQPCDHZWPNA-OALUTQOASA-N 2 1 308.510 3.244 20 0 DGADMP CN(CC[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC001620533415 1193776701 /nfs/dbraw/zinc/77/67/01/1193776701.db2.gz OTRWYNFDFAEZCZ-UHFFFAOYSA-N 2 1 303.494 3.321 20 0 DGADMP c1nscc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001620699771 1193793017 /nfs/dbraw/zinc/79/30/17/1193793017.db2.gz QUXHSHVHRASNRP-UHFFFAOYSA-N 2 1 301.459 3.419 20 0 DGADMP COCC[NH+]1CCC([NH2+]C/C=C/c2cc(C)c(C)cc2C)CC1 ZINC001620748794 1193797583 /nfs/dbraw/zinc/79/75/83/1193797583.db2.gz QOFAMTGEYVNDQV-AATRIKPKSA-N 2 1 316.489 3.325 20 0 DGADMP CC[NH+](CC)CC[C@@H](NCc1c[nH+]c(C)n1C)c1ccccc1 ZINC001621105685 1193802543 /nfs/dbraw/zinc/80/25/43/1193802543.db2.gz XQPORODHKANZIY-LJQANCHMSA-N 2 1 314.477 3.291 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001621107945 1193802727 /nfs/dbraw/zinc/80/27/27/1193802727.db2.gz DEFQVRCUROLPLG-KZNAEPCWSA-N 2 1 302.462 3.151 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001621107945 1193802733 /nfs/dbraw/zinc/80/27/33/1193802733.db2.gz DEFQVRCUROLPLG-KZNAEPCWSA-N 2 1 302.462 3.151 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCOC)[C@H](C)c2ccccc2)CC1 ZINC001621129009 1193806494 /nfs/dbraw/zinc/80/64/94/1193806494.db2.gz YSCJTZWXNNRVCP-QGZVFWFLSA-N 2 1 304.478 3.428 20 0 DGADMP CC(C)C[N@H+](Cc1cccc2c1OCC2)CC1CC[NH+](C)CC1 ZINC001621491464 1193849744 /nfs/dbraw/zinc/84/97/44/1193849744.db2.gz IHNCNMRNCQOJDD-UHFFFAOYSA-N 2 1 316.489 3.421 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001641721722 1194868471 /nfs/dbraw/zinc/86/84/71/1194868471.db2.gz JOOVYIVTKUTXLA-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001641721722 1194868474 /nfs/dbraw/zinc/86/84/74/1194868474.db2.gz JOOVYIVTKUTXLA-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001641721722 1194868477 /nfs/dbraw/zinc/86/84/77/1194868477.db2.gz JOOVYIVTKUTXLA-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)ccc1C[NH+](C)C ZINC001642432702 1194910541 /nfs/dbraw/zinc/91/05/41/1194910541.db2.gz CSNGHEAQIWVEDL-KRWDZBQOSA-N 2 1 317.477 3.116 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000057961409 1194928723 /nfs/dbraw/zinc/92/87/23/1194928723.db2.gz DKNCOKGYHIMVTA-UHFFFAOYSA-N 2 1 312.404 3.498 20 0 DGADMP CC[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC001643064816 1194964539 /nfs/dbraw/zinc/96/45/39/1194964539.db2.gz UQEDXJFFOWXYJR-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC001643064816 1194964545 /nfs/dbraw/zinc/96/45/45/1194964545.db2.gz UQEDXJFFOWXYJR-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC001643064816 1194964547 /nfs/dbraw/zinc/96/45/47/1194964547.db2.gz UQEDXJFFOWXYJR-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP CC(C)[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1COC1 ZINC001643195007 1195004324 /nfs/dbraw/zinc/00/43/24/1195004324.db2.gz WHSFVIBGBIRTMU-UHFFFAOYSA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1COC1 ZINC001643195007 1195004328 /nfs/dbraw/zinc/00/43/28/1195004328.db2.gz WHSFVIBGBIRTMU-UHFFFAOYSA-N 2 1 302.462 3.282 20 0 DGADMP CC1(C)CCCC[C@@H]1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC001644038388 1195075261 /nfs/dbraw/zinc/07/52/61/1195075261.db2.gz BJLHGBOJTUWEAQ-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP CC1(C)CCCC[C@@H]1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC001644038388 1195075266 /nfs/dbraw/zinc/07/52/66/1195075266.db2.gz BJLHGBOJTUWEAQ-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001644287231 1195095376 /nfs/dbraw/zinc/09/53/76/1195095376.db2.gz IRCICZVVTKQYOX-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001644287231 1195095384 /nfs/dbraw/zinc/09/53/84/1195095384.db2.gz IRCICZVVTKQYOX-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1C ZINC001644332718 1195102069 /nfs/dbraw/zinc/10/20/69/1195102069.db2.gz OQVIGIMJRWMZQF-OAHLLOKOSA-N 2 1 311.429 3.109 20 0 DGADMP CC[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644594802 1195119541 /nfs/dbraw/zinc/11/95/41/1195119541.db2.gz NUVYABKUASPLBD-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644594802 1195119542 /nfs/dbraw/zinc/11/95/42/1195119542.db2.gz NUVYABKUASPLBD-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001644594802 1195119546 /nfs/dbraw/zinc/11/95/46/1195119546.db2.gz NUVYABKUASPLBD-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001644594802 1195119548 /nfs/dbraw/zinc/11/95/48/1195119548.db2.gz NUVYABKUASPLBD-AZUAARDMSA-N 2 1 316.489 3.136 20 0 DGADMP CCOC(=O)[C@H](CC)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001644781102 1195134356 /nfs/dbraw/zinc/13/43/56/1195134356.db2.gz PZBZJRZDNJMOAM-WMZOPIPTSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@H](CC)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001644781102 1195134357 /nfs/dbraw/zinc/13/43/57/1195134357.db2.gz PZBZJRZDNJMOAM-WMZOPIPTSA-N 2 1 324.509 3.305 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001645096669 1195155956 /nfs/dbraw/zinc/15/59/56/1195155956.db2.gz CQCBZKGESZQHLU-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP CCCn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)n1 ZINC001647033907 1195241794 /nfs/dbraw/zinc/24/17/94/1195241794.db2.gz FBCMBONYGRKVET-UHFFFAOYSA-N 2 1 318.509 3.488 20 0 DGADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C)C1CCCCC1 ZINC001648366021 1195295240 /nfs/dbraw/zinc/29/52/40/1195295240.db2.gz BWGOFWIDJQRRIS-VQIMIIECSA-N 2 1 317.477 3.187 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(cccc3OC)C2)CC1 ZINC001648701361 1195323380 /nfs/dbraw/zinc/32/33/80/1195323380.db2.gz UTUWBUHNIAYCLG-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC001648761977 1195329506 /nfs/dbraw/zinc/32/95/06/1195329506.db2.gz RQUBAWJYBDSQHK-UHFFFAOYSA-N 2 1 307.457 3.102 20 0 DGADMP CCCn1cncc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001650235213 1195360657 /nfs/dbraw/zinc/36/06/57/1195360657.db2.gz LFQUBFDSGZAFTJ-UHFFFAOYSA-N 2 1 314.477 3.423 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC001650376578 1195362071 /nfs/dbraw/zinc/36/20/71/1195362071.db2.gz PFJQOKLWMZSCBU-HNNXBMFYSA-N 2 1 320.462 3.070 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c2ccccc12 ZINC001651697870 1195498046 /nfs/dbraw/zinc/49/80/46/1195498046.db2.gz KMNRQPOMAJQVOA-ZYSHUDEJSA-N 2 1 310.441 3.278 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706010 1195500125 /nfs/dbraw/zinc/50/01/25/1195500125.db2.gz HACHEPQDARHUGM-DZGCQCFKSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706010 1195500130 /nfs/dbraw/zinc/50/01/30/1195500130.db2.gz HACHEPQDARHUGM-DZGCQCFKSA-N 2 1 307.457 3.415 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@H](C)O3)C[C@H]1C ZINC001651750075 1195505626 /nfs/dbraw/zinc/50/56/26/1195505626.db2.gz AAGZSCQTXRCICP-VKJFTORMSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)C[C@H]1C ZINC001651750075 1195505631 /nfs/dbraw/zinc/50/56/31/1195505631.db2.gz AAGZSCQTXRCICP-VKJFTORMSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)C[C@H]1C ZINC001651750075 1195505637 /nfs/dbraw/zinc/50/56/37/1195505637.db2.gz AAGZSCQTXRCICP-VKJFTORMSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCc3cc(OC)ccc3C2)CC1 ZINC001651817420 1195513187 /nfs/dbraw/zinc/51/31/87/1195513187.db2.gz PGYZFRAFADBAKJ-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc(C)c1O ZINC001652719093 1195640886 /nfs/dbraw/zinc/64/08/86/1195640886.db2.gz JRAVQFDTDOPZAY-UXHICEINSA-N 2 1 324.468 3.444 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001653049111 1195684167 /nfs/dbraw/zinc/68/41/67/1195684167.db2.gz NDZQFJVWEXLMHW-MSOLQXFVSA-N 2 1 306.494 3.455 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001653049111 1195684171 /nfs/dbraw/zinc/68/41/71/1195684171.db2.gz NDZQFJVWEXLMHW-MSOLQXFVSA-N 2 1 306.494 3.455 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+][C@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001653234407 1195701655 /nfs/dbraw/zinc/70/16/55/1195701655.db2.gz WRXNCBMLVUTVCK-HCXYKTFWSA-N 2 1 316.514 3.382 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCC12CCOCC2 ZINC001653465308 1195725490 /nfs/dbraw/zinc/72/54/90/1195725490.db2.gz COJQYYVIFGSBQA-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000069160372 1195777013 /nfs/dbraw/zinc/77/70/13/1195777013.db2.gz AHFABKYMPGYOHF-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC2(O)CCCCC2)CC1 ZINC001654512524 1195811102 /nfs/dbraw/zinc/81/11/02/1195811102.db2.gz RBWOMWFBKRHBQI-GOSISDBHSA-N 2 1 308.510 3.268 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543929 1195815192 /nfs/dbraw/zinc/81/51/92/1195815192.db2.gz WYRSSWOSMYSOJX-RDJZCZTQSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543929 1195815197 /nfs/dbraw/zinc/81/51/97/1195815197.db2.gz WYRSSWOSMYSOJX-RDJZCZTQSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543929 1195815204 /nfs/dbraw/zinc/81/52/04/1195815204.db2.gz WYRSSWOSMYSOJX-RDJZCZTQSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001654543929 1195815205 /nfs/dbraw/zinc/81/52/05/1195815205.db2.gz WYRSSWOSMYSOJX-RDJZCZTQSA-N 2 1 322.468 3.095 20 0 DGADMP CCc1ccccc1CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001654659470 1195827777 /nfs/dbraw/zinc/82/77/77/1195827777.db2.gz BHGIVOFGBACKFA-QGZVFWFLSA-N 2 1 309.457 3.397 20 0 DGADMP C[C@H]1[C@H](N(C)C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057662 1195870316 /nfs/dbraw/zinc/87/03/16/1195870316.db2.gz RNNKBRZRJYIDQM-FXAWDEMLSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1[C@H](N(C)C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057662 1195870319 /nfs/dbraw/zinc/87/03/19/1195870319.db2.gz RNNKBRZRJYIDQM-FXAWDEMLSA-N 2 1 315.505 3.197 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC001655167728 1195885655 /nfs/dbraw/zinc/88/56/55/1195885655.db2.gz KXTXBVMLBHMVQP-GOSISDBHSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC001655167728 1195885667 /nfs/dbraw/zinc/88/56/67/1195885667.db2.gz KXTXBVMLBHMVQP-GOSISDBHSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC001655167728 1195885674 /nfs/dbraw/zinc/88/56/74/1195885674.db2.gz KXTXBVMLBHMVQP-GOSISDBHSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC001655167728 1195885680 /nfs/dbraw/zinc/88/56/80/1195885680.db2.gz KXTXBVMLBHMVQP-GOSISDBHSA-N 2 1 324.896 3.253 20 0 DGADMP COc1cccc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)oc21 ZINC001655325066 1195903827 /nfs/dbraw/zinc/90/38/27/1195903827.db2.gz CCSYUYUTAPCLIG-UHFFFAOYSA-N 2 1 314.429 3.405 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001655329810 1195905101 /nfs/dbraw/zinc/90/51/01/1195905101.db2.gz LMILWBAEQADCBI-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001655329810 1195905107 /nfs/dbraw/zinc/90/51/07/1195905107.db2.gz LMILWBAEQADCBI-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP C[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001655463488 1195921622 /nfs/dbraw/zinc/92/16/22/1195921622.db2.gz OZQYDDVSNZHRGG-OAHLLOKOSA-N 2 1 315.848 3.488 20 0 DGADMP CCCC1CCC(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001655631859 1195942756 /nfs/dbraw/zinc/94/27/56/1195942756.db2.gz IDPJRNHJKDMUFJ-CTWPCTMYSA-N 2 1 310.526 3.419 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC001656071597 1195995138 /nfs/dbraw/zinc/99/51/38/1195995138.db2.gz XUXAVUFZQOJATD-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001656081588 1195996218 /nfs/dbraw/zinc/99/62/18/1195996218.db2.gz FROZONBBGVMSSY-UHFFFAOYSA-N 2 1 324.472 3.349 20 0 DGADMP Cc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001656453446 1196041546 /nfs/dbraw/zinc/04/15/46/1196041546.db2.gz BSIGDBZWAMIKBT-SFHVURJKSA-N 2 1 322.880 3.381 20 0 DGADMP Cc1ccc(CSCC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001656613073 1196054675 /nfs/dbraw/zinc/05/46/75/1196054675.db2.gz LFIJIFBGMYHWSC-UHFFFAOYSA-N 2 1 315.486 3.479 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001656632646 1196056671 /nfs/dbraw/zinc/05/66/71/1196056671.db2.gz HYUJCTFSEXWNPP-SJORKVTESA-N 2 1 313.445 3.206 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001656947091 1196085738 /nfs/dbraw/zinc/08/57/38/1196085738.db2.gz KSDUJUANWKQZPH-IKGGRYGDSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001656947091 1196085740 /nfs/dbraw/zinc/08/57/40/1196085740.db2.gz KSDUJUANWKQZPH-IKGGRYGDSA-N 2 1 302.462 3.263 20 0 DGADMP CC1(C)CCC(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001657133889 1196109105 /nfs/dbraw/zinc/10/91/05/1196109105.db2.gz DLWCIDAWBOLEPA-UHFFFAOYSA-N 2 1 308.510 3.437 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000072725744 1196112326 /nfs/dbraw/zinc/11/23/26/1196112326.db2.gz XDOKKWNDLYOCKB-UHFFFAOYSA-N 2 1 314.477 3.167 20 0 DGADMP CCCC[N@@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001657183724 1196115648 /nfs/dbraw/zinc/11/56/48/1196115648.db2.gz FLECWHMIOURHBU-UHFFFAOYSA-N 2 1 304.478 3.267 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211684 1196118982 /nfs/dbraw/zinc/11/89/82/1196118982.db2.gz AKGPHARHVDEOCB-NVXWUHKLSA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211684 1196118986 /nfs/dbraw/zinc/11/89/86/1196118986.db2.gz AKGPHARHVDEOCB-NVXWUHKLSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211684 1196118990 /nfs/dbraw/zinc/11/89/90/1196118990.db2.gz AKGPHARHVDEOCB-NVXWUHKLSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@H]1C ZINC001657211684 1196118991 /nfs/dbraw/zinc/11/89/91/1196118991.db2.gz AKGPHARHVDEOCB-NVXWUHKLSA-N 2 1 318.461 3.086 20 0 DGADMP CC(C)(C)C1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001657225065 1196120521 /nfs/dbraw/zinc/12/05/21/1196120521.db2.gz SGQAHGBURWXWSK-ABHNRTSZSA-N 2 1 310.526 3.418 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)cc1 ZINC001657437279 1196140605 /nfs/dbraw/zinc/14/06/05/1196140605.db2.gz BJUMWWQQCLYUGW-UHFFFAOYSA-N 2 1 322.452 3.471 20 0 DGADMP Fc1cc(OC(F)F)ccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001657507557 1196149442 /nfs/dbraw/zinc/14/94/42/1196149442.db2.gz QOVDHLCGNDQEOZ-UHFFFAOYSA-N 2 1 321.302 3.365 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001658262141 1196232405 /nfs/dbraw/zinc/23/24/05/1196232405.db2.gz QVOQHNMMCAAHJX-JZXOWHBKSA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001658262141 1196232408 /nfs/dbraw/zinc/23/24/08/1196232408.db2.gz QVOQHNMMCAAHJX-JZXOWHBKSA-N 2 1 304.478 3.336 20 0 DGADMP CC(C)C(C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(C)C ZINC001658261006 1196232767 /nfs/dbraw/zinc/23/27/67/1196232767.db2.gz INUDRSPJEJHKRP-LJQANCHMSA-N 2 1 318.505 3.271 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC001658311415 1196240424 /nfs/dbraw/zinc/24/04/24/1196240424.db2.gz XYKJLSYOHSWCEW-RCCFBDPRSA-N 2 1 308.510 3.436 20 0 DGADMP CCN(CC)CC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001658343819 1196244142 /nfs/dbraw/zinc/24/41/42/1196244142.db2.gz DNEWZUXWVBCBSC-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CC[NH+](CC)CCN(Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001658343819 1196244150 /nfs/dbraw/zinc/24/41/50/1196244150.db2.gz DNEWZUXWVBCBSC-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CCn1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348539 1196245852 /nfs/dbraw/zinc/24/58/52/1196245852.db2.gz ZDRNOXJANMOPEP-WMZOPIPTSA-N 2 1 318.509 3.298 20 0 DGADMP CC(C)C1CCC(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC001658415068 1196253084 /nfs/dbraw/zinc/25/30/84/1196253084.db2.gz UNQLLNLDYDSUBN-UHFFFAOYSA-N 2 1 308.510 3.245 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCC34CCOCC4)C2)CC1 ZINC001658440872 1196256410 /nfs/dbraw/zinc/25/64/10/1196256410.db2.gz CNNSWENIVUAGFQ-GOSISDBHSA-N 2 1 320.521 3.391 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC001658503562 1196266360 /nfs/dbraw/zinc/26/63/60/1196266360.db2.gz SZSXFLYTJXFGOK-QGZVFWFLSA-N 2 1 316.445 3.284 20 0 DGADMP CCO[C@@H](C[NH2+]Cc1ccccc1-c1ccccc1)C[NH+](C)C ZINC001658578294 1196276180 /nfs/dbraw/zinc/27/61/80/1196276180.db2.gz XPDNKOVDUGZVCU-IBGZPJMESA-N 2 1 312.457 3.410 20 0 DGADMP CCCC[C@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001658830587 1196307164 /nfs/dbraw/zinc/30/71/64/1196307164.db2.gz PQRLGTDZFVHWRH-RBUKOAKNSA-N 2 1 304.478 3.312 20 0 DGADMP CC[N@@H+]1CCC[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000399 1196331036 /nfs/dbraw/zinc/33/10/36/1196331036.db2.gz ANSNUGPIYVHIDZ-IRXDYDNUSA-N 2 1 309.885 3.017 20 0 DGADMP CC[N@H+]1CCC[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000399 1196331039 /nfs/dbraw/zinc/33/10/39/1196331039.db2.gz ANSNUGPIYVHIDZ-IRXDYDNUSA-N 2 1 309.885 3.017 20 0 DGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001659118004 1196347353 /nfs/dbraw/zinc/34/73/53/1196347353.db2.gz GCTBHRINNROLSO-DPHWQOANSA-N 2 1 308.416 3.216 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001659156107 1196353302 /nfs/dbraw/zinc/35/33/02/1196353302.db2.gz VNDIEENLDUBPGQ-HZPDHXFCSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001659156107 1196353304 /nfs/dbraw/zinc/35/33/04/1196353304.db2.gz VNDIEENLDUBPGQ-HZPDHXFCSA-N 2 1 312.498 3.018 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCCCF)cc2)C[C@H](C)O1 ZINC001659217258 1196359517 /nfs/dbraw/zinc/35/95/17/1196359517.db2.gz ZLHKIJQQXHNZDK-CALCHBBNSA-N 2 1 322.468 3.477 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCCCF)cc2)C[C@H](C)O1 ZINC001659217258 1196359521 /nfs/dbraw/zinc/35/95/21/1196359521.db2.gz ZLHKIJQQXHNZDK-CALCHBBNSA-N 2 1 322.468 3.477 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCCCF)cc2)C[C@H](C)O1 ZINC001659217258 1196359525 /nfs/dbraw/zinc/35/95/25/1196359525.db2.gz ZLHKIJQQXHNZDK-CALCHBBNSA-N 2 1 322.468 3.477 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421364 1196382117 /nfs/dbraw/zinc/38/21/17/1196382117.db2.gz VYAGNLADHCAHNJ-IAGOWNOFSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC001659421364 1196382121 /nfs/dbraw/zinc/38/21/21/1196382121.db2.gz VYAGNLADHCAHNJ-IAGOWNOFSA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421364 1196382123 /nfs/dbraw/zinc/38/21/23/1196382123.db2.gz VYAGNLADHCAHNJ-IAGOWNOFSA-N 3 1 307.526 3.102 20 0 DGADMP COCC[N@H+](Cc1ccc(Cl)c(C)c1)CC1CC[NH+](C)CC1 ZINC001659805238 1196415464 /nfs/dbraw/zinc/41/54/64/1196415464.db2.gz TVCVZVLJPTYNIE-UHFFFAOYSA-N 2 1 324.896 3.439 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000075780993 1196421580 /nfs/dbraw/zinc/42/15/80/1196421580.db2.gz FVUQOCHJULEBTR-CYBMUJFWSA-N 2 1 314.351 3.159 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC001659883038 1196425309 /nfs/dbraw/zinc/42/53/09/1196425309.db2.gz ZVLCJEYAPHBQLD-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC001659883038 1196425310 /nfs/dbraw/zinc/42/53/10/1196425310.db2.gz ZVLCJEYAPHBQLD-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC001659883038 1196425311 /nfs/dbraw/zinc/42/53/11/1196425311.db2.gz ZVLCJEYAPHBQLD-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001659883038 1196425312 /nfs/dbraw/zinc/42/53/12/1196425312.db2.gz ZVLCJEYAPHBQLD-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP Oc1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1F ZINC001659901591 1196426650 /nfs/dbraw/zinc/42/66/50/1196426650.db2.gz AICUFFRCABIACQ-KRWDZBQOSA-N 2 1 311.360 3.259 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C2 ZINC001660011032 1196437677 /nfs/dbraw/zinc/43/76/77/1196437677.db2.gz IDWXWJAMPXNBKO-MRXNPFEDSA-N 2 1 302.462 3.017 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C2 ZINC001660011032 1196437680 /nfs/dbraw/zinc/43/76/80/1196437680.db2.gz IDWXWJAMPXNBKO-MRXNPFEDSA-N 2 1 302.462 3.017 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001660593305 1196500888 /nfs/dbraw/zinc/50/08/88/1196500888.db2.gz RQOSOUACYDTBAB-AEFFLSMTSA-N 2 1 307.441 3.322 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001660592074 1196501464 /nfs/dbraw/zinc/50/14/64/1196501464.db2.gz PQVZPBHOLMINPU-YRPNKDGESA-N 2 1 321.553 3.159 20 0 DGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(F)c1 ZINC001660893089 1196540215 /nfs/dbraw/zinc/54/02/15/1196540215.db2.gz NQLXVXIFSZYDLZ-KKUMJFAQSA-N 2 1 308.416 3.435 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001660919086 1196541672 /nfs/dbraw/zinc/54/16/72/1196541672.db2.gz RIOOBEHTVVHOKP-SFHVURJKSA-N 2 1 309.457 3.092 20 0 DGADMP CC1(C)CC[N@H+](Cc2nccc3c2CCCC3)CC(C)(C)[NH2+]1 ZINC001660924794 1196543011 /nfs/dbraw/zinc/54/30/11/1196543011.db2.gz XWYCCCSHRYINGX-UHFFFAOYSA-N 2 1 301.478 3.313 20 0 DGADMP CC1(C)CC[N@@H+](Cc2nccc3c2CCCC3)CC(C)(C)[NH2+]1 ZINC001660924794 1196543014 /nfs/dbraw/zinc/54/30/14/1196543014.db2.gz XWYCCCSHRYINGX-UHFFFAOYSA-N 2 1 301.478 3.313 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC001660953228 1196546767 /nfs/dbraw/zinc/54/67/67/1196546767.db2.gz CICFVJZQGVXSQH-YTQUADARSA-N 2 1 314.473 3.159 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC001660953228 1196546768 /nfs/dbraw/zinc/54/67/68/1196546768.db2.gz CICFVJZQGVXSQH-YTQUADARSA-N 2 1 314.473 3.159 20 0 DGADMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)ccc1SC ZINC001661545197 1196617897 /nfs/dbraw/zinc/61/78/97/1196617897.db2.gz DYVUJZGIPDXUFJ-UHFFFAOYSA-N 2 1 319.474 3.492 20 0 DGADMP c1nc2ccccn2c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001661625341 1196625444 /nfs/dbraw/zinc/62/54/44/1196625444.db2.gz FSLPYAHONKMZRQ-UHFFFAOYSA-N 2 1 312.461 3.221 20 0 DGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001661625568 1196625555 /nfs/dbraw/zinc/62/55/55/1196625555.db2.gz LEDVQQGOYPBYKN-QGZVFWFLSA-N 2 1 304.478 3.264 20 0 DGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001661625568 1196625556 /nfs/dbraw/zinc/62/55/56/1196625556.db2.gz LEDVQQGOYPBYKN-QGZVFWFLSA-N 2 1 304.478 3.264 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC001662169001 1196689670 /nfs/dbraw/zinc/68/96/70/1196689670.db2.gz XFOYXMYFMZURJU-JFIYKMOQSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC001662169001 1196689672 /nfs/dbraw/zinc/68/96/72/1196689672.db2.gz XFOYXMYFMZURJU-JFIYKMOQSA-N 2 1 300.446 3.289 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC001663810604 1196947592 /nfs/dbraw/zinc/94/75/92/1196947592.db2.gz RTJOGHJGDRJXEJ-UHFFFAOYSA-N 2 1 308.441 3.475 20 0 DGADMP C[N@@H+](CCc1ccccc1F)Cc1ccnn1-c1cc[nH+]cc1 ZINC001663865759 1196951965 /nfs/dbraw/zinc/95/19/65/1196951965.db2.gz YLBBIULVPZSLQA-UHFFFAOYSA-N 2 1 310.376 3.081 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)C1CCCCC1 ZINC001665895338 1197213490 /nfs/dbraw/zinc/21/34/90/1197213490.db2.gz CGNIULPGKUCSET-CADBVGFASA-N 2 1 308.510 3.244 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4c(cccc4O)s3)[C@@H]2C1 ZINC001665936978 1197217927 /nfs/dbraw/zinc/21/79/27/1197217927.db2.gz JLYLQIXPPOZOBD-GLQYFDAESA-N 2 1 302.443 3.037 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000378891258 1197701297 /nfs/dbraw/zinc/70/12/97/1197701297.db2.gz QSILBJXCSBIFQG-TXPKVOOTSA-N 2 1 300.446 3.289 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001674155120 1197740277 /nfs/dbraw/zinc/74/02/77/1197740277.db2.gz OCHHTYBZHKIJRV-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093968825 1198742505 /nfs/dbraw/zinc/74/25/05/1198742505.db2.gz LXNRBJNBAZOZJT-INIZCTEOSA-N 2 1 320.525 3.175 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093968825 1198742509 /nfs/dbraw/zinc/74/25/09/1198742509.db2.gz LXNRBJNBAZOZJT-INIZCTEOSA-N 2 1 320.525 3.175 20 0 DGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Br ZINC000097899413 1199163723 /nfs/dbraw/zinc/16/37/23/1199163723.db2.gz MPSVFHROSGJACD-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP Fc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000103173948 1199483423 /nfs/dbraw/zinc/48/34/23/1199483423.db2.gz GOVIBGCNDFGZGX-LJQANCHMSA-N 2 1 312.432 3.480 20 0 DGADMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)c(C)nc2s1 ZINC000105456961 1199540496 /nfs/dbraw/zinc/54/04/96/1199540496.db2.gz SVWNNAUPVPLWBW-OAHLLOKOSA-N 2 1 320.506 3.223 20 0 DGADMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)c(C)nc2s1 ZINC000105456961 1199540500 /nfs/dbraw/zinc/54/05/00/1199540500.db2.gz SVWNNAUPVPLWBW-OAHLLOKOSA-N 2 1 320.506 3.223 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000105458029 1199542916 /nfs/dbraw/zinc/54/29/16/1199542916.db2.gz OMOLDOCQCMSJGL-GOSISDBHSA-N 2 1 312.461 3.082 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000108428169 1199604233 /nfs/dbraw/zinc/60/42/33/1199604233.db2.gz HTQQUZQOUHFZTF-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000108428540 1199604274 /nfs/dbraw/zinc/60/42/74/1199604274.db2.gz CLQYWHQKBSHELN-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000108428540 1199604279 /nfs/dbraw/zinc/60/42/79/1199604279.db2.gz CLQYWHQKBSHELN-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000108428568 1199604428 /nfs/dbraw/zinc/60/44/28/1199604428.db2.gz VMDJFPPMTLCHQP-DOTOQJQBSA-N 2 1 320.477 3.304 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000108428851 1199604482 /nfs/dbraw/zinc/60/44/82/1199604482.db2.gz ZOQSLVGXNNDDNY-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000108429140 1199604799 /nfs/dbraw/zinc/60/47/99/1199604799.db2.gz XJUPLSZEQWHWPD-CYBMUJFWSA-N 2 1 318.852 3.162 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000108428538 1199604881 /nfs/dbraw/zinc/60/48/81/1199604881.db2.gz CLQYWHQKBSHELN-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000108428538 1199604883 /nfs/dbraw/zinc/60/48/83/1199604883.db2.gz CLQYWHQKBSHELN-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311903637 1199746480 /nfs/dbraw/zinc/74/64/80/1199746480.db2.gz YPCAWFFFMXNDQW-XJKSGUPXSA-N 2 1 323.278 3.066 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116379030 1199797919 /nfs/dbraw/zinc/79/79/19/1199797919.db2.gz RCYOBDWEMIZJMN-KRWDZBQOSA-N 2 1 308.466 3.160 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC000319368902 1199838821 /nfs/dbraw/zinc/83/88/21/1199838821.db2.gz XCLKVFMVCVSHOF-HACGYAERSA-N 2 1 310.388 3.410 20 0 DGADMP Clc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc2c1OCO2 ZINC000320044277 1199844293 /nfs/dbraw/zinc/84/42/93/1199844293.db2.gz XINYJKOQJAYXQC-LBPRGKRZSA-N 2 1 322.836 3.033 20 0 DGADMP Clc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc2c1OCO2 ZINC000320044277 1199844297 /nfs/dbraw/zinc/84/42/97/1199844297.db2.gz XINYJKOQJAYXQC-LBPRGKRZSA-N 2 1 322.836 3.033 20 0 DGADMP CCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000120633364 1200162641 /nfs/dbraw/zinc/16/26/41/1200162641.db2.gz IYPOHXKBXNCURJ-VQIMIIECSA-N 2 1 304.478 3.312 20 0 DGADMP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001754622302 1200400473 /nfs/dbraw/zinc/40/04/73/1200400473.db2.gz MJQYHTQMDFINLJ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001690468965 1200578763 /nfs/dbraw/zinc/57/87/63/1200578763.db2.gz ZBKLZPNVZZTJQD-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001755024893 1200584771 /nfs/dbraw/zinc/58/47/71/1200584771.db2.gz KRCVMYBKAWQSHY-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001755024893 1200584774 /nfs/dbraw/zinc/58/47/74/1200584774.db2.gz KRCVMYBKAWQSHY-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755024893 1200584776 /nfs/dbraw/zinc/58/47/76/1200584776.db2.gz KRCVMYBKAWQSHY-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001755069691 1200624844 /nfs/dbraw/zinc/62/48/44/1200624844.db2.gz CWFNATDOQZTWBT-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP c1cncc(-c2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000130612555 1201037175 /nfs/dbraw/zinc/03/71/75/1201037175.db2.gz RSJLCEPZVVRKLO-KRWDZBQOSA-N 2 1 307.441 3.323 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001700531895 1202306674 /nfs/dbraw/zinc/30/66/74/1202306674.db2.gz QYYIBFKIDKFTKU-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001707203129 1202576585 /nfs/dbraw/zinc/57/65/85/1202576585.db2.gz GLEDGUBXLSJRJP-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001707203129 1202576586 /nfs/dbraw/zinc/57/65/86/1202576586.db2.gz GLEDGUBXLSJRJP-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001707203129 1202576587 /nfs/dbraw/zinc/57/65/87/1202576587.db2.gz GLEDGUBXLSJRJP-RCCFBDPRSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1sc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000234328059 1202603357 /nfs/dbraw/zinc/60/33/57/1202603357.db2.gz QWXIZMGDYCKMIV-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000154850726 1202598184 /nfs/dbraw/zinc/59/81/84/1202598184.db2.gz NLRLGNLWFDDLDS-IBGZPJMESA-N 2 1 318.505 3.488 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000157536837 1202602702 /nfs/dbraw/zinc/60/27/02/1202602702.db2.gz OZLZQWVVBWTBJY-HKUYNNGSSA-N 2 1 311.429 3.158 20 0 DGADMP Cc1sc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000234328059 1202603356 /nfs/dbraw/zinc/60/33/56/1202603356.db2.gz QWXIZMGDYCKMIV-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358111 1202603596 /nfs/dbraw/zinc/60/35/96/1202603596.db2.gz DGAWTLKJSNPHCF-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358111 1202603597 /nfs/dbraw/zinc/60/35/97/1202603597.db2.gz DGAWTLKJSNPHCF-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP c1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000236591944 1202613971 /nfs/dbraw/zinc/61/39/71/1202613971.db2.gz QDZAZRGIZKPXPG-OAHLLOKOSA-N 2 1 314.429 3.023 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000236601911 1202614568 /nfs/dbraw/zinc/61/45/68/1202614568.db2.gz ARWKHGDXBOCOHY-UHFFFAOYSA-N 2 1 324.852 3.074 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)[NH+](C)C ZINC000236699761 1202621413 /nfs/dbraw/zinc/62/14/13/1202621413.db2.gz DSCRKCFLWJGMLX-YJBOKZPZSA-N 2 1 319.493 3.360 20 0 DGADMP CC[C@@H](C)[C@@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236866068 1202630866 /nfs/dbraw/zinc/63/08/66/1202630866.db2.gz MHKDAKHBGKSQPT-AEFFLSMTSA-N 2 1 306.494 3.141 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000236978896 1202639091 /nfs/dbraw/zinc/63/90/91/1202639091.db2.gz MHKDAKHBGKSQPT-WMZOPIPTSA-N 2 1 306.494 3.141 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000237093003 1202646656 /nfs/dbraw/zinc/64/66/56/1202646656.db2.gz PQHUCIFTRLTLJN-UHFFFAOYSA-N 2 1 318.383 3.305 20 0 DGADMP C[C@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C1CC1 ZINC000237516827 1202675657 /nfs/dbraw/zinc/67/56/57/1202675657.db2.gz QTFUMZJZPGEUJI-QGZVFWFLSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@H](CNCC(C)(C)C[NH+](C)Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000237516827 1202675659 /nfs/dbraw/zinc/67/56/59/1202675659.db2.gz QTFUMZJZPGEUJI-QGZVFWFLSA-N 2 1 317.521 3.217 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000259016873 1203261216 /nfs/dbraw/zinc/26/12/16/1203261216.db2.gz NNOLBTKZJZEFKQ-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP CC(C)=CC[NH2+]CCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716551889 1203501885 /nfs/dbraw/zinc/50/18/85/1203501885.db2.gz OLDVHNKPIVWQGK-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001716713032 1203530259 /nfs/dbraw/zinc/53/02/59/1203530259.db2.gz JMWAUTBBQMAFEJ-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001716713032 1203530261 /nfs/dbraw/zinc/53/02/61/1203530261.db2.gz JMWAUTBBQMAFEJ-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCCC1 ZINC001716713032 1203530263 /nfs/dbraw/zinc/53/02/63/1203530263.db2.gz JMWAUTBBQMAFEJ-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001716714047 1203530703 /nfs/dbraw/zinc/53/07/03/1203530703.db2.gz WWJMRPUDRNSJKS-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001716714047 1203530705 /nfs/dbraw/zinc/53/07/05/1203530705.db2.gz WWJMRPUDRNSJKS-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001716714047 1203530707 /nfs/dbraw/zinc/53/07/07/1203530707.db2.gz WWJMRPUDRNSJKS-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001717238207 1203607585 /nfs/dbraw/zinc/60/75/85/1203607585.db2.gz MWZZJFGTMZVZSN-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000165600483 1203765878 /nfs/dbraw/zinc/76/58/78/1203765878.db2.gz QXHBUSDHVWWBAX-CQSZACIVSA-N 2 1 318.509 3.472 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001135995539 1094785741 /nfs/dbraw/zinc/78/57/41/1094785741.db2.gz HPEFWRVDOZLJAD-HOTGVXAUSA-N 2 1 313.530 3.027 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@@H+](C)CCC[NH+](C)C ZINC001256184603 1106385755 /nfs/dbraw/zinc/38/57/55/1106385755.db2.gz GTIIWPSRXXVNFL-CYBMUJFWSA-N 2 1 313.283 3.264 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768092 1081618016 /nfs/dbraw/zinc/61/80/16/1081618016.db2.gz GZYOMAQLQMVYPV-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768092 1081618018 /nfs/dbraw/zinc/61/80/18/1081618018.db2.gz GZYOMAQLQMVYPV-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768091 1081618142 /nfs/dbraw/zinc/61/81/42/1081618142.db2.gz GZYOMAQLQMVYPV-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001206768091 1081618144 /nfs/dbraw/zinc/61/81/44/1081618144.db2.gz GZYOMAQLQMVYPV-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206769423 1081622186 /nfs/dbraw/zinc/62/21/86/1081622186.db2.gz PCTWRZZFKDAPAW-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206769423 1081622187 /nfs/dbraw/zinc/62/21/87/1081622187.db2.gz PCTWRZZFKDAPAW-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC001169668070 1081623720 /nfs/dbraw/zinc/62/37/20/1081623720.db2.gz ZROBEZKGQMUOGM-IEBWSBKVSA-N 2 1 318.505 3.381 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC001169668070 1081623724 /nfs/dbraw/zinc/62/37/24/1081623724.db2.gz ZROBEZKGQMUOGM-IEBWSBKVSA-N 2 1 318.505 3.381 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001208836377 1081652560 /nfs/dbraw/zinc/65/25/60/1081652560.db2.gz DKVPMJOIVPYEAB-OKILXGFUSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001208836377 1081652563 /nfs/dbraw/zinc/65/25/63/1081652563.db2.gz DKVPMJOIVPYEAB-OKILXGFUSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001208836377 1081652565 /nfs/dbraw/zinc/65/25/65/1081652565.db2.gz DKVPMJOIVPYEAB-OKILXGFUSA-N 2 1 313.272 3.419 20 0 DGADMP CC(C)[N@@H+](CCO)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001167137798 1081748501 /nfs/dbraw/zinc/74/85/01/1081748501.db2.gz GXDQEPWLLIAHGS-UHFFFAOYSA-N 2 1 318.505 3.034 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001266471072 1081872765 /nfs/dbraw/zinc/87/27/65/1081872765.db2.gz HROLZKOLMVOASM-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266471072 1081872772 /nfs/dbraw/zinc/87/27/72/1081872772.db2.gz HROLZKOLMVOASM-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266471072 1081872777 /nfs/dbraw/zinc/87/27/77/1081872777.db2.gz HROLZKOLMVOASM-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)([NH+](C)C)C1 ZINC001648895427 1081956000 /nfs/dbraw/zinc/95/60/00/1081956000.db2.gz OTKODVSVVPQOQQ-SPOLIRPYSA-N 2 1 308.510 3.292 20 0 DGADMP CCCC[N@@H+](C[C@H](O)CSC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000200723202 1081985457 /nfs/dbraw/zinc/98/54/57/1081985457.db2.gz WSVRYFMTBFLPRV-HNNXBMFYSA-N 2 1 316.555 3.122 20 0 DGADMP C[C@H]1C[C@@H](n2cncc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231223 1082114186 /nfs/dbraw/zinc/11/41/86/1082114186.db2.gz WUUXUMBADGEMLV-QFBILLFUSA-N 3 1 324.472 3.186 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398344334 1082135406 /nfs/dbraw/zinc/13/54/06/1082135406.db2.gz WHUVUCTVVWXTET-JWOSDPRPSA-N 2 1 324.443 3.477 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398344334 1082135409 /nfs/dbraw/zinc/13/54/09/1082135409.db2.gz WHUVUCTVVWXTET-JWOSDPRPSA-N 2 1 324.443 3.477 20 0 DGADMP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266850281 1082264118 /nfs/dbraw/zinc/26/41/18/1082264118.db2.gz XGUPRGQTSSIXCY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266850281 1082264122 /nfs/dbraw/zinc/26/41/22/1082264122.db2.gz XGUPRGQTSSIXCY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266850281 1082264127 /nfs/dbraw/zinc/26/41/27/1082264127.db2.gz XGUPRGQTSSIXCY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266850281 1082264131 /nfs/dbraw/zinc/26/41/31/1082264131.db2.gz XGUPRGQTSSIXCY-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266850280 1082264204 /nfs/dbraw/zinc/26/42/04/1082264204.db2.gz XGUPRGQTSSIXCY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266850280 1082264208 /nfs/dbraw/zinc/26/42/08/1082264208.db2.gz XGUPRGQTSSIXCY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266850280 1082264210 /nfs/dbraw/zinc/26/42/10/1082264210.db2.gz XGUPRGQTSSIXCY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266850280 1082264213 /nfs/dbraw/zinc/26/42/13/1082264213.db2.gz XGUPRGQTSSIXCY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC001648913593 1082288089 /nfs/dbraw/zinc/28/80/89/1082288089.db2.gz AKANFBQKTHKRIM-DLBZAZTESA-N 2 1 310.526 3.418 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192836 1082310027 /nfs/dbraw/zinc/31/00/27/1082310027.db2.gz KWZXBMRGGXKXFY-MKXGPGLRSA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCO1 ZINC001170195869 1082316031 /nfs/dbraw/zinc/31/60/31/1082316031.db2.gz KVCCOUHURKJHCH-HUUCEWRRSA-N 2 1 306.425 3.033 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001170235253 1082323142 /nfs/dbraw/zinc/32/31/42/1082323142.db2.gz LIWJXFKCZDOEIJ-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001170235253 1082323145 /nfs/dbraw/zinc/32/31/45/1082323145.db2.gz LIWJXFKCZDOEIJ-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001170235253 1082323151 /nfs/dbraw/zinc/32/31/51/1082323151.db2.gz LIWJXFKCZDOEIJ-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411845 1082370702 /nfs/dbraw/zinc/37/07/02/1082370702.db2.gz MOLNXUMSHBDWNV-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001207285438 1082521429 /nfs/dbraw/zinc/52/14/29/1082521429.db2.gz KKFUTKGKJGQWPN-GOSISDBHSA-N 2 1 304.478 3.426 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001207285438 1082521432 /nfs/dbraw/zinc/52/14/32/1082521432.db2.gz KKFUTKGKJGQWPN-GOSISDBHSA-N 2 1 304.478 3.426 20 0 DGADMP CCC1(CC)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001167655783 1082659595 /nfs/dbraw/zinc/65/95/95/1082659595.db2.gz AFVWRUAOZPMWAD-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(CC)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001167655783 1082659599 /nfs/dbraw/zinc/65/95/99/1082659599.db2.gz AFVWRUAOZPMWAD-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(CC)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167655783 1082659603 /nfs/dbraw/zinc/65/96/03/1082659603.db2.gz AFVWRUAOZPMWAD-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CCC1(CC)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167655783 1082659606 /nfs/dbraw/zinc/65/96/06/1082659606.db2.gz AFVWRUAOZPMWAD-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP Cc1cc(C)c(C(=O)NCC[N@@H+](CCC2CC2)C2CC2)c(C)n1 ZINC001267329960 1082804459 /nfs/dbraw/zinc/80/44/59/1082804459.db2.gz VNXQZNHXFUHVHZ-UHFFFAOYSA-N 2 1 315.461 3.001 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615280 1082908215 /nfs/dbraw/zinc/90/82/15/1082908215.db2.gz HCZYQNZOEPSCKH-YJBOKZPZSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615280 1082908217 /nfs/dbraw/zinc/90/82/17/1082908217.db2.gz HCZYQNZOEPSCKH-YJBOKZPZSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@H]1Cc2cc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)ccc2O1 ZINC001204615280 1082908221 /nfs/dbraw/zinc/90/82/21/1082908221.db2.gz HCZYQNZOEPSCKH-YJBOKZPZSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@H]1Cc2cc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)ccc2O1 ZINC001204615280 1082908224 /nfs/dbraw/zinc/90/82/24/1082908224.db2.gz HCZYQNZOEPSCKH-YJBOKZPZSA-N 2 1 302.462 3.316 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441388 1082912024 /nfs/dbraw/zinc/91/20/24/1082912024.db2.gz OGNPAPKYIVLGQD-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441388 1082912028 /nfs/dbraw/zinc/91/20/28/1082912028.db2.gz OGNPAPKYIVLGQD-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441388 1082912032 /nfs/dbraw/zinc/91/20/32/1082912032.db2.gz OGNPAPKYIVLGQD-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170703409 1083178508 /nfs/dbraw/zinc/17/85/08/1083178508.db2.gz XCZJKDYPASHXSO-INIZCTEOSA-N 2 1 308.416 3.240 20 0 DGADMP COc1ccccc1CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001207459791 1083268293 /nfs/dbraw/zinc/26/82/93/1083268293.db2.gz ABVPRYFBRGIXDI-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170750932 1083288663 /nfs/dbraw/zinc/28/86/63/1083288663.db2.gz OIDGUBBVYNAEGP-MSOLQXFVSA-N 2 1 323.525 3.090 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC001134772821 1083329820 /nfs/dbraw/zinc/32/98/20/1083329820.db2.gz HXNCGIQNNARDLK-CVEARBPZSA-N 2 1 313.530 3.026 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N ZINC001181153370 1083421817 /nfs/dbraw/zinc/42/18/17/1083421817.db2.gz CNBOFRGOMGYOEB-SFHVURJKSA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N ZINC001181153370 1083421821 /nfs/dbraw/zinc/42/18/21/1083421821.db2.gz CNBOFRGOMGYOEB-SFHVURJKSA-N 2 1 324.472 3.054 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207485614 1083504026 /nfs/dbraw/zinc/50/40/26/1083504026.db2.gz YIXSMYFNUSYXIH-SFHVURJKSA-N 2 1 302.462 3.180 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001167750675 1083620680 /nfs/dbraw/zinc/62/06/80/1083620680.db2.gz BTWODCXNVPPTPH-DOTOQJQBSA-N 2 1 302.466 3.183 20 0 DGADMP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473808 1083629363 /nfs/dbraw/zinc/62/93/63/1083629363.db2.gz CKFJSLYPDQDFAN-DVBCCOPCSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001273473808 1083629367 /nfs/dbraw/zinc/62/93/67/1083629367.db2.gz CKFJSLYPDQDFAN-DVBCCOPCSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001273473808 1083629371 /nfs/dbraw/zinc/62/93/71/1083629371.db2.gz CKFJSLYPDQDFAN-DVBCCOPCSA-N 2 1 323.525 3.044 20 0 DGADMP C([NH2+]C1CCC2(CSC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001183096034 1083876531 /nfs/dbraw/zinc/87/65/31/1083876531.db2.gz YQFWCNHGHGBDNN-INIZCTEOSA-N 2 1 308.535 3.374 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC001183279391 1083907575 /nfs/dbraw/zinc/90/75/75/1083907575.db2.gz BNJUPMLMQWUEQJ-IHPCNDPISA-N 2 1 318.505 3.405 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001167785876 1083927030 /nfs/dbraw/zinc/92/70/30/1083927030.db2.gz CZXLEKKKLJTYEI-UHFFFAOYSA-N 2 1 320.440 3.232 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001167833498 1084143237 /nfs/dbraw/zinc/14/32/37/1084143237.db2.gz CALRUOLEWGVVRH-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001167835714 1084158987 /nfs/dbraw/zinc/15/89/87/1084158987.db2.gz UDANGJGKCZCLGS-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001167839707 1084164773 /nfs/dbraw/zinc/16/47/73/1084164773.db2.gz BKCYZFVDHCEWLO-GJZGRUSLSA-N 2 1 300.487 3.159 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCc4cccc(Cl)c4C3)[C@@H]2C1 ZINC001184387813 1084168774 /nfs/dbraw/zinc/16/87/74/1084168774.db2.gz NQOUOCAYWSJPIR-MMNPAVHPSA-N 2 1 304.865 3.127 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205296094 1084171508 /nfs/dbraw/zinc/17/15/08/1084171508.db2.gz GRAJUKDKLIRCAT-IRXDYDNUSA-N 2 1 312.498 3.197 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205296095 1084171561 /nfs/dbraw/zinc/17/15/61/1084171561.db2.gz GRAJUKDKLIRCAT-SJORKVTESA-N 2 1 312.498 3.197 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205306724 1084251280 /nfs/dbraw/zinc/25/12/80/1084251280.db2.gz ZNANPNRKRNRRBP-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205306724 1084251292 /nfs/dbraw/zinc/25/12/92/1084251292.db2.gz ZNANPNRKRNRRBP-SMDDNHRTSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)C[C@@H]1C[NH3+] ZINC001205306403 1084247888 /nfs/dbraw/zinc/24/78/88/1084247888.db2.gz WGAGAOCAOCBWHA-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C[C@@H]1C[NH3+] ZINC001205306403 1084247898 /nfs/dbraw/zinc/24/78/98/1084247898.db2.gz WGAGAOCAOCBWHA-OCCSQVGLSA-N 2 1 303.837 3.305 20 0 DGADMP CCCC[N@@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963880 1085821777 /nfs/dbraw/zinc/82/17/77/1085821777.db2.gz GVTCJUHIMJCXLX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CCCC[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963880 1085821785 /nfs/dbraw/zinc/82/17/85/1085821785.db2.gz GVTCJUHIMJCXLX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CCCC[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963880 1085821794 /nfs/dbraw/zinc/82/17/94/1085821794.db2.gz GVTCJUHIMJCXLX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CCCC[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963880 1085821801 /nfs/dbraw/zinc/82/18/01/1085821801.db2.gz GVTCJUHIMJCXLX-YQQQUEKLSA-N 3 1 307.526 3.103 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963880 1085821809 /nfs/dbraw/zinc/82/18/09/1085821809.db2.gz GVTCJUHIMJCXLX-YQQQUEKLSA-N 3 1 307.526 3.103 20 0 DGADMP CCCC[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963880 1085821821 /nfs/dbraw/zinc/82/18/21/1085821821.db2.gz GVTCJUHIMJCXLX-YQQQUEKLSA-N 3 1 307.526 3.103 20 0 DGADMP CCCC[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963880 1085821825 /nfs/dbraw/zinc/82/18/25/1085821825.db2.gz GVTCJUHIMJCXLX-YQQQUEKLSA-N 3 1 307.526 3.103 20 0 DGADMP c1ccc(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167965768 1085857003 /nfs/dbraw/zinc/85/70/03/1085857003.db2.gz MOWVPKSQSVZISG-IHWFROFDSA-N 2 1 313.489 3.399 20 0 DGADMP Cc1cc2c(cn1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167975134 1085919985 /nfs/dbraw/zinc/91/99/85/1085919985.db2.gz IGBWTXXPETZERW-DLZDZTESSA-N 2 1 311.473 3.372 20 0 DGADMP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167979248 1085930079 /nfs/dbraw/zinc/93/00/79/1085930079.db2.gz YETHUZMNWRLUKQ-ALOPSCKCSA-N 2 1 303.425 3.102 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167981851 1085932261 /nfs/dbraw/zinc/93/22/61/1085932261.db2.gz NFJNFLYZZKIWQB-DAABDDCCSA-N 3 1 319.537 3.233 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167981851 1085932269 /nfs/dbraw/zinc/93/22/69/1085932269.db2.gz NFJNFLYZZKIWQB-DAABDDCCSA-N 3 1 319.537 3.233 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167981851 1085932277 /nfs/dbraw/zinc/93/22/77/1085932277.db2.gz NFJNFLYZZKIWQB-DAABDDCCSA-N 3 1 319.537 3.233 20 0 DGADMP C[NH+](C)CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981764 1085932951 /nfs/dbraw/zinc/93/29/51/1085932951.db2.gz IYXHNDUKSJIQMZ-ZHNYMBGRSA-N 3 1 319.537 3.102 20 0 DGADMP Brc1cccc2c1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000713193977 1085986294 /nfs/dbraw/zinc/98/62/94/1085986294.db2.gz OKILRYBNHVXAHW-GFCCVEGCSA-N 2 1 309.251 3.154 20 0 DGADMP Brc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000713193977 1085986305 /nfs/dbraw/zinc/98/63/05/1085986305.db2.gz OKILRYBNHVXAHW-GFCCVEGCSA-N 2 1 309.251 3.154 20 0 DGADMP CC(C)[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC001270771579 1085986499 /nfs/dbraw/zinc/98/64/99/1085986499.db2.gz KZCJSKKWBPSKDI-UHFFFAOYSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756723 1086167091 /nfs/dbraw/zinc/16/70/91/1086167091.db2.gz RXLQLECQJKZKBX-VQIMIIECSA-N 2 1 318.505 3.212 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029436 1086450335 /nfs/dbraw/zinc/45/03/35/1086450335.db2.gz SMBPPGXFXRJEAJ-PIKOESSRSA-N 2 1 318.505 3.425 20 0 DGADMP C[C@H]1CC(N2CCC[N@@H+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039452 1086498188 /nfs/dbraw/zinc/49/81/88/1086498188.db2.gz DYAIOZCRZPHEIY-ROUUACIJSA-N 2 1 315.505 3.066 20 0 DGADMP CO[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039906 1086500070 /nfs/dbraw/zinc/50/00/70/1086500070.db2.gz IMGPCKSJKAAEMV-TXPKVOOTSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042046 1086512187 /nfs/dbraw/zinc/51/21/87/1086512187.db2.gz YFSDPZQSOARNEZ-GCLMUHHRSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042046 1086512190 /nfs/dbraw/zinc/51/21/90/1086512190.db2.gz YFSDPZQSOARNEZ-GCLMUHHRSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042046 1086512197 /nfs/dbraw/zinc/51/21/97/1086512197.db2.gz YFSDPZQSOARNEZ-GCLMUHHRSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042046 1086512203 /nfs/dbraw/zinc/51/22/03/1086512203.db2.gz YFSDPZQSOARNEZ-GCLMUHHRSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]23CCOC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056879 1086627236 /nfs/dbraw/zinc/62/72/36/1086627236.db2.gz JLHFVDLSFUZTNU-HNJRGHQBSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]23CCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056879 1086627239 /nfs/dbraw/zinc/62/72/39/1086627239.db2.gz JLHFVDLSFUZTNU-HNJRGHQBSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056879 1086627242 /nfs/dbraw/zinc/62/72/42/1086627242.db2.gz JLHFVDLSFUZTNU-HNJRGHQBSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056879 1086627248 /nfs/dbraw/zinc/62/72/48/1086627248.db2.gz JLHFVDLSFUZTNU-HNJRGHQBSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063642 1086648864 /nfs/dbraw/zinc/64/88/64/1086648864.db2.gz DCOAKAKRQPPIDP-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063642 1086648872 /nfs/dbraw/zinc/64/88/72/1086648872.db2.gz DCOAKAKRQPPIDP-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063642 1086648879 /nfs/dbraw/zinc/64/88/79/1086648879.db2.gz DCOAKAKRQPPIDP-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@@H](O)C[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064942 1086659151 /nfs/dbraw/zinc/65/91/51/1086659151.db2.gz SOWBWXPGAAJYJT-WOCWXWTJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@@H](O)C[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064942 1086659156 /nfs/dbraw/zinc/65/91/56/1086659156.db2.gz SOWBWXPGAAJYJT-WOCWXWTJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137776 1086970428 /nfs/dbraw/zinc/97/04/28/1086970428.db2.gz OJHLVINWXBPKID-OXQOHEQNSA-N 2 1 314.473 3.077 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137776 1086970436 /nfs/dbraw/zinc/97/04/36/1086970436.db2.gz OJHLVINWXBPKID-OXQOHEQNSA-N 2 1 314.473 3.077 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144005 1086984602 /nfs/dbraw/zinc/98/46/02/1086984602.db2.gz STQJGLGQYCOBKQ-DNVCBOLYSA-N 2 1 320.452 3.289 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144005 1086984605 /nfs/dbraw/zinc/98/46/05/1086984605.db2.gz STQJGLGQYCOBKQ-DNVCBOLYSA-N 2 1 320.452 3.289 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000093604716 1087141579 /nfs/dbraw/zinc/14/15/79/1087141579.db2.gz SCIKHHQTDUVPKP-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@H](C)c1ccccc1 ZINC001168284741 1087277566 /nfs/dbraw/zinc/27/75/66/1087277566.db2.gz MSKZNNRJEMWCHH-MRXNPFEDSA-N 2 1 301.434 3.027 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@H](C)c1ccccc1 ZINC001168284741 1087277570 /nfs/dbraw/zinc/27/75/70/1087277570.db2.gz MSKZNNRJEMWCHH-MRXNPFEDSA-N 2 1 301.434 3.027 20 0 DGADMP C[C@H](CC[NH2+]Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000697824919 1087337805 /nfs/dbraw/zinc/33/78/05/1087337805.db2.gz CXCSGRPHRZPRKE-SNVBAGLBSA-N 2 1 303.219 3.018 20 0 DGADMP OC1([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)CCC1 ZINC001168363347 1087379169 /nfs/dbraw/zinc/37/91/69/1087379169.db2.gz YKWWCXXJICBGSL-IBGZPJMESA-N 2 1 314.473 3.107 20 0 DGADMP CC1(C)C[C@H](Nc2nc(NC3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158259137 1087746344 /nfs/dbraw/zinc/74/63/44/1087746344.db2.gz FOMHFNSITJXYAS-SUMWQHHRSA-N 2 1 303.454 3.007 20 0 DGADMP Cc1c[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc1NC1CC1 ZINC001158259727 1087747166 /nfs/dbraw/zinc/74/71/66/1087747166.db2.gz SFCAHGVDOIIRCL-KBXCAEBGSA-N 2 1 317.481 3.315 20 0 DGADMP CC(=O)Nc1c(C)cc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158267254 1087750939 /nfs/dbraw/zinc/75/09/39/1087750939.db2.gz VWMQVLMSZGWZJG-KBXCAEBGSA-N 2 1 318.465 3.304 20 0 DGADMP C[C@H]1C[C@@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c2ccccc21 ZINC001158472469 1087849507 /nfs/dbraw/zinc/84/95/07/1087849507.db2.gz NJKPGDQZKZXPDM-SUMWQHHRSA-N 2 1 323.444 3.065 20 0 DGADMP Cc1c(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1Br ZINC001205116602 1088006231 /nfs/dbraw/zinc/00/62/31/1088006231.db2.gz DPLRWTYAZGIIKC-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1c(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1Br ZINC001205116602 1088006247 /nfs/dbraw/zinc/00/62/47/1088006247.db2.gz DPLRWTYAZGIIKC-CQSZACIVSA-N 2 1 311.267 3.379 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)cnc2F)C1 ZINC001206647214 1088275952 /nfs/dbraw/zinc/27/59/52/1088275952.db2.gz HHUGWDKRYQSLCX-HNNXBMFYSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)C1 ZINC001206647214 1088275969 /nfs/dbraw/zinc/27/59/69/1088275969.db2.gz HHUGWDKRYQSLCX-HNNXBMFYSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cnc3ccccc3c2Cl)C1 ZINC001206648183 1088314806 /nfs/dbraw/zinc/31/48/06/1088314806.db2.gz MJJHLHJNEWTGSP-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cnc3ccccc3c2Cl)C1 ZINC001206648183 1088314817 /nfs/dbraw/zinc/31/48/17/1088314817.db2.gz MJJHLHJNEWTGSP-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP C[NH+]1C(C)(C)CC(Nc2nc(NC3CC3)cc[nH+]2)CC1(C)C ZINC001159391191 1088332182 /nfs/dbraw/zinc/33/21/82/1088332182.db2.gz FSDDUHZDLQCUMN-UHFFFAOYSA-N 2 1 303.454 3.114 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001206649562 1088348359 /nfs/dbraw/zinc/34/83/59/1088348359.db2.gz WAERTNJRFVPGCR-INIZCTEOSA-N 2 1 313.420 3.449 20 0 DGADMP c1cc2cc(Nc3ccc(N4CC[NH2+]CC4)cc3)ccc2c[nH+]1 ZINC001159447444 1088353179 /nfs/dbraw/zinc/35/31/79/1088353179.db2.gz LTDDUMWGQPYHRR-UHFFFAOYSA-N 2 1 304.397 3.388 20 0 DGADMP c1cc2cc[nH+]cc2c(Nc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001159456568 1088355675 /nfs/dbraw/zinc/35/56/75/1088355675.db2.gz WPFQMSPRVBAPTB-UHFFFAOYSA-N 2 1 304.397 3.388 20 0 DGADMP c1ccc(C[N@@H+]2CC=C(Nc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001159470573 1088361046 /nfs/dbraw/zinc/36/10/46/1088361046.db2.gz IUWXVACTGRHKHI-UHFFFAOYSA-N 2 1 305.425 3.492 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC001235749066 1088392103 /nfs/dbraw/zinc/39/21/03/1088392103.db2.gz GRJPVCWPKQOXEB-GFCCVEGCSA-N 2 1 311.267 3.353 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC001235749066 1088392119 /nfs/dbraw/zinc/39/21/19/1088392119.db2.gz GRJPVCWPKQOXEB-GFCCVEGCSA-N 2 1 311.267 3.353 20 0 DGADMP C[N@H+](Cc1cccc(SC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842213 1088420027 /nfs/dbraw/zinc/42/00/27/1088420027.db2.gz MRRKXPZDGVJXQF-GFCCVEGCSA-N 2 1 304.381 3.340 20 0 DGADMP [NH3+]CCc1cccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001159671841 1088440528 /nfs/dbraw/zinc/44/05/28/1088440528.db2.gz JQZBVDSAOKCFJT-UHFFFAOYSA-N 2 1 307.441 3.390 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001236142585 1088642991 /nfs/dbraw/zinc/64/29/91/1088642991.db2.gz YVTLDSJJWSAQOU-UHFFFAOYSA-N 2 1 310.747 3.409 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226977 1088732907 /nfs/dbraw/zinc/73/29/07/1088732907.db2.gz VNEZBQCLONTAHI-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160739508 1088937708 /nfs/dbraw/zinc/93/77/08/1088937708.db2.gz MWCCMLSZOXLMRW-KGLIPLIRSA-N 2 1 309.335 3.496 20 0 DGADMP COc1cc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]c2ccccc21 ZINC001155117421 1088958291 /nfs/dbraw/zinc/95/82/91/1088958291.db2.gz FZUTYHBWGAZPJQ-KRWDZBQOSA-N 2 1 303.381 3.137 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CCNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160963336 1089047124 /nfs/dbraw/zinc/04/71/24/1089047124.db2.gz FPYPWSFPSWHPPJ-OAHLLOKOSA-N 2 1 322.884 3.227 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160963336 1089047142 /nfs/dbraw/zinc/04/71/42/1089047142.db2.gz FPYPWSFPSWHPPJ-OAHLLOKOSA-N 2 1 322.884 3.227 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236407644 1089049516 /nfs/dbraw/zinc/04/95/16/1089049516.db2.gz GITSIPLGKWPBEB-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236407644 1089049534 /nfs/dbraw/zinc/04/95/34/1089049534.db2.gz GITSIPLGKWPBEB-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213933 1089155591 /nfs/dbraw/zinc/15/55/91/1089155591.db2.gz PQYNCYYURJIRPT-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP c1cc(C2CC2)cc(NCC2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC001161236435 1089164044 /nfs/dbraw/zinc/16/40/44/1089164044.db2.gz LPAUOYMWRZQBGO-UHFFFAOYSA-N 2 1 315.461 3.262 20 0 DGADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1=CCCCC1 ZINC001155900195 1089292941 /nfs/dbraw/zinc/29/29/41/1089292941.db2.gz FETOBCCKWDWUBT-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001161584291 1089296659 /nfs/dbraw/zinc/29/66/59/1089296659.db2.gz XVSKHCGDLHXNOA-SFHVURJKSA-N 2 1 324.428 3.060 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001161584290 1089297362 /nfs/dbraw/zinc/29/73/62/1089297362.db2.gz XVSKHCGDLHXNOA-GOSISDBHSA-N 2 1 324.428 3.060 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCCCC[NH+](C)C)nc1 ZINC001161728566 1089374259 /nfs/dbraw/zinc/37/42/59/1089374259.db2.gz OXJWGZFGJYMRJX-INIZCTEOSA-N 2 1 304.482 3.210 20 0 DGADMP c1ccc([C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C2CC2)cc1 ZINC001161955297 1089490756 /nfs/dbraw/zinc/49/07/56/1089490756.db2.gz OBBLOMAUBQVCFV-SFHVURJKSA-N 2 1 308.429 3.054 20 0 DGADMP c1cncc(C2(CNc3cc(C4CC4)cc[nH+]3)CC[NH2+]CC2)c1 ZINC001162037751 1089537662 /nfs/dbraw/zinc/53/76/62/1089537662.db2.gz XWZLMZYIUNWITK-UHFFFAOYSA-N 2 1 308.429 3.087 20 0 DGADMP C[N@@H+]1CCC[C@@](C)(Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001162337504 1089676757 /nfs/dbraw/zinc/67/67/57/1089676757.db2.gz PMTCYNSBYCQZAC-QGZVFWFLSA-N 2 1 322.884 3.227 20 0 DGADMP C[N@H+]1CCC[C@@](C)(Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001162337504 1089676765 /nfs/dbraw/zinc/67/67/65/1089676765.db2.gz PMTCYNSBYCQZAC-QGZVFWFLSA-N 2 1 322.884 3.227 20 0 DGADMP CC(C)[PH+](CCNc1[nH+]ccc2c1NC(=O)CO2)C(C)C ZINC001162362255 1089698487 /nfs/dbraw/zinc/69/84/87/1089698487.db2.gz XVHMCGGJOFLAJF-UHFFFAOYSA-N 2 1 309.350 3.123 20 0 DGADMP [NH3+][C@H]1CCC[C@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC001162402679 1089717411 /nfs/dbraw/zinc/71/74/11/1089717411.db2.gz VLHSWYZCGQVWKN-RYUDHWBXSA-N 2 1 320.234 3.101 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001162470063 1089750272 /nfs/dbraw/zinc/75/02/72/1089750272.db2.gz HRCDOOJYSJZZJO-NXHRZFHOSA-N 2 1 301.478 3.153 20 0 DGADMP Cc1ccc2c(c1)[C@H](Nc1cc[nH+]c(CN)c1)CC21CC[NH2+]CC1 ZINC001163033365 1090057059 /nfs/dbraw/zinc/05/70/59/1090057059.db2.gz DQJXTQNPYMNNID-LJQANCHMSA-N 2 1 322.456 3.027 20 0 DGADMP COc1ccc2c(cc[nH+]c2Nc2ccc([C@H](C[NH3+])CO)cc2)c1 ZINC001163054258 1090064217 /nfs/dbraw/zinc/06/42/17/1090064217.db2.gz XILXBSJQFBHVJD-OAHLLOKOSA-N 2 1 323.396 3.022 20 0 DGADMP C[NH2+]CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C(C)(C)C ZINC001157829327 1090123877 /nfs/dbraw/zinc/12/38/77/1090123877.db2.gz CMOFUMPUYCQCGP-UHFFFAOYSA-N 2 1 324.900 3.155 20 0 DGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc(C[NH+](C)C3CC3)cn2)[C@@H](C)C1 ZINC001163368714 1090167242 /nfs/dbraw/zinc/16/72/42/1090167242.db2.gz BCVGHPSRTJEKCO-YJBOKZPZSA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@H](Nc2ccc(C[N@H+](C)C3CC3)cn2)[C@@H](C)C1 ZINC001163368714 1090167249 /nfs/dbraw/zinc/16/72/49/1090167249.db2.gz BCVGHPSRTJEKCO-YJBOKZPZSA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@H](Nc2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H](C)C1 ZINC001163368714 1090167255 /nfs/dbraw/zinc/16/72/55/1090167255.db2.gz BCVGHPSRTJEKCO-YJBOKZPZSA-N 2 1 316.493 3.207 20 0 DGADMP CCN(c1ccc([C@H]2CCCC[N@H+]2CC)cn1)[C@H]1CCC[NH2+]C1 ZINC001158207534 1090201593 /nfs/dbraw/zinc/20/15/93/1090201593.db2.gz OHOXJDZYNMZTDI-ZWKOTPCHSA-N 2 1 316.493 3.207 20 0 DGADMP Cn1ccc2c1cc[nH+]c2N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001163669280 1090227114 /nfs/dbraw/zinc/22/71/14/1090227114.db2.gz LYCIXQIWVOTAFJ-SFHVURJKSA-N 2 1 306.413 3.066 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+](C)CCC[NH+](C)C ZINC001237741943 1090322628 /nfs/dbraw/zinc/32/26/28/1090322628.db2.gz PIPPIXWHIFZHOB-UHFFFAOYSA-N 2 1 313.283 3.395 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+](C)CCC[NH+](C)C ZINC001237741943 1090322639 /nfs/dbraw/zinc/32/26/39/1090322639.db2.gz PIPPIXWHIFZHOB-UHFFFAOYSA-N 2 1 313.283 3.395 20 0 DGADMP C[NH+](C)C1(CNc2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001164210686 1090373217 /nfs/dbraw/zinc/37/32/17/1090373217.db2.gz GPMXSSYPKNQCBZ-UHFFFAOYSA-N 2 1 315.383 3.143 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(N)cc[nH+]1 ZINC001165181535 1090475501 /nfs/dbraw/zinc/47/55/01/1090475501.db2.gz JHBQIEUDGQIYSF-CRAIPNDOSA-N 2 1 310.445 3.011 20 0 DGADMP Cc1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)[nH+]c1C ZINC001165303031 1090499230 /nfs/dbraw/zinc/49/92/30/1090499230.db2.gz AKFIRBUPMMAGFL-CYBMUJFWSA-N 2 1 313.367 3.352 20 0 DGADMP c1cc2c3c([nH]c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)[nH+]1)CCC3 ZINC001165322410 1090502715 /nfs/dbraw/zinc/50/27/15/1090502715.db2.gz IPLSMXCXJXIOFX-SFHVURJKSA-N 2 1 324.472 3.410 20 0 DGADMP CCC1(Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C[NH2+]C1 ZINC001168582649 1090581007 /nfs/dbraw/zinc/58/10/07/1090581007.db2.gz VNFKIFZJXGZQKG-UHFFFAOYSA-N 2 1 307.441 3.366 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001168602664 1090600253 /nfs/dbraw/zinc/60/02/53/1090600253.db2.gz UHYXRTIPORMSCG-NEWSRXKRSA-N 2 1 301.478 3.390 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531847 1090627540 /nfs/dbraw/zinc/62/75/40/1090627540.db2.gz JWQJJQKBHDIDLC-WOJBJXKFSA-N 3 1 315.505 3.113 20 0 DGADMP Fc1ccccc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203348922 1090723845 /nfs/dbraw/zinc/72/38/45/1090723845.db2.gz XIKHAPYNTKGKMT-IYBDPMFKSA-N 2 1 316.445 3.451 20 0 DGADMP CC1(C[NH+]2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)COC1 ZINC001276415174 1090774801 /nfs/dbraw/zinc/77/48/01/1090774801.db2.gz CQYCWYDVWBOKMM-LJQANCHMSA-N 2 1 306.494 3.144 20 0 DGADMP CC1(C[NH+]2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)COC1 ZINC001276415174 1090774804 /nfs/dbraw/zinc/77/48/04/1090774804.db2.gz CQYCWYDVWBOKMM-LJQANCHMSA-N 2 1 306.494 3.144 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)OCO2 ZINC001204056172 1090886308 /nfs/dbraw/zinc/88/63/08/1090886308.db2.gz RVNRIFGOQUKRER-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)OCO2 ZINC001204056172 1090886314 /nfs/dbraw/zinc/88/63/14/1090886314.db2.gz RVNRIFGOQUKRER-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC001204056172 1090886318 /nfs/dbraw/zinc/88/63/18/1090886318.db2.gz RVNRIFGOQUKRER-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC001204056172 1090886324 /nfs/dbraw/zinc/88/63/24/1090886324.db2.gz RVNRIFGOQUKRER-IRXDYDNUSA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)s1 ZINC001204063630 1090888199 /nfs/dbraw/zinc/88/81/99/1090888199.db2.gz JJZNAIQMEUGOPN-HZPDHXFCSA-N 2 1 315.486 3.173 20 0 DGADMP Oc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097194 1090901967 /nfs/dbraw/zinc/90/19/67/1090901967.db2.gz SUBOWBCJNURKRI-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097194 1090901973 /nfs/dbraw/zinc/90/19/73/1090901973.db2.gz SUBOWBCJNURKRI-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097194 1090901977 /nfs/dbraw/zinc/90/19/77/1090901977.db2.gz SUBOWBCJNURKRI-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097194 1090901981 /nfs/dbraw/zinc/90/19/81/1090901981.db2.gz SUBOWBCJNURKRI-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204097194 1090901985 /nfs/dbraw/zinc/90/19/85/1090901985.db2.gz SUBOWBCJNURKRI-WOJBJXKFSA-N 2 1 322.452 3.346 20 0 DGADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1OC ZINC001204189973 1090917065 /nfs/dbraw/zinc/91/70/65/1090917065.db2.gz IHGFRODBAFVTNU-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@](C)(CF)C2)cc1 ZINC001204262968 1090935473 /nfs/dbraw/zinc/93/54/73/1090935473.db2.gz CPSMJNBWIQBNGP-SFHVURJKSA-N 2 1 308.441 3.199 20 0 DGADMP CCO[C@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204269288 1090936977 /nfs/dbraw/zinc/93/69/77/1090936977.db2.gz YXTNAUFTXRVJST-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC001204268975 1090937405 /nfs/dbraw/zinc/93/74/05/1090937405.db2.gz RAOBZHQFLAPNCC-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001204308218 1090945899 /nfs/dbraw/zinc/94/58/99/1090945899.db2.gz SVTBXAVFQXVZIS-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@H]3C[NH+](CCC)C[C@@H]3C2)cc1 ZINC001204309088 1090946648 /nfs/dbraw/zinc/94/66/48/1090946648.db2.gz BPTWPQFAMPSXEU-QZTJIDSGSA-N 2 1 302.462 3.249 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC)c(OC)c1 ZINC001204360932 1090956266 /nfs/dbraw/zinc/95/62/66/1090956266.db2.gz CPKUZXFTTZJTKT-UHFFFAOYSA-N 2 1 308.466 3.258 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC)c(OC)c1 ZINC001204360932 1090956268 /nfs/dbraw/zinc/95/62/68/1090956268.db2.gz CPKUZXFTTZJTKT-UHFFFAOYSA-N 2 1 308.466 3.258 20 0 DGADMP Brc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727883 1091023465 /nfs/dbraw/zinc/02/34/65/1091023465.db2.gz UINDWESRMIQVJT-UHFFFAOYSA-N 2 1 323.278 3.415 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)CC1 ZINC001204786362 1091036541 /nfs/dbraw/zinc/03/65/41/1091036541.db2.gz NVQQGDOEYRDRPM-UHFFFAOYSA-N 2 1 312.461 3.117 20 0 DGADMP c1cc2n(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]2c1ccccc1 ZINC001204878117 1091053767 /nfs/dbraw/zinc/05/37/67/1091053767.db2.gz YAHUXCLAPIMCNX-FXAWDEMLSA-N 2 1 309.457 3.283 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3cccnc3s1)C2 ZINC001276477855 1091066321 /nfs/dbraw/zinc/06/63/21/1091066321.db2.gz HGRMQYHFZAEGFF-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3cccnc3s1)C2 ZINC001276477855 1091066329 /nfs/dbraw/zinc/06/63/29/1091066329.db2.gz HGRMQYHFZAEGFF-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3cccnc3s1)C2 ZINC001276477855 1091066336 /nfs/dbraw/zinc/06/63/36/1091066336.db2.gz HGRMQYHFZAEGFF-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3cccnc3s1)C2 ZINC001276477855 1091066341 /nfs/dbraw/zinc/06/63/41/1091066341.db2.gz HGRMQYHFZAEGFF-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP CC/C=C\CCCCC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276478126 1091072925 /nfs/dbraw/zinc/07/29/25/1091072925.db2.gz NFASGUPDPGBWIZ-WAYWQWQTSA-N 2 1 321.553 3.472 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001205000291 1091080521 /nfs/dbraw/zinc/08/05/21/1091080521.db2.gz CLMRBHMXWNGIDG-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP C[NH+](C)CC1(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)CCCC1 ZINC001276478442 1091084452 /nfs/dbraw/zinc/08/44/52/1091084452.db2.gz ZZOQKZSOLVHQKI-KDURUIRLSA-N 2 1 319.537 3.200 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3cc(OC)ccc3s2)C1 ZINC001205017893 1091085208 /nfs/dbraw/zinc/08/52/08/1091085208.db2.gz PPIXMJUPEIRGGA-CYBMUJFWSA-N 2 1 304.459 3.341 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205018612 1091085491 /nfs/dbraw/zinc/08/54/91/1091085491.db2.gz VWYVMYCPWZVFBV-KRWDZBQOSA-N 2 1 310.441 3.491 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094854 1091100862 /nfs/dbraw/zinc/10/08/62/1091100862.db2.gz RGPAZEBPIOUEGE-ROUUACIJSA-N 2 1 308.510 3.467 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124145 1091107782 /nfs/dbraw/zinc/10/77/82/1091107782.db2.gz KNYMMHOGKGCKBP-HNNXBMFYSA-N 2 1 311.267 3.325 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124145 1091107787 /nfs/dbraw/zinc/10/77/87/1091107787.db2.gz KNYMMHOGKGCKBP-HNNXBMFYSA-N 2 1 311.267 3.325 20 0 DGADMP COc1cc(OC)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc12 ZINC001205130587 1091109069 /nfs/dbraw/zinc/10/90/69/1091109069.db2.gz KAPUSSRGHLRMLE-CQSZACIVSA-N 2 1 314.429 3.170 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001205256076 1091150889 /nfs/dbraw/zinc/15/08/89/1091150889.db2.gz MOLDHWBWDQODQH-IBGZPJMESA-N 2 1 301.478 3.106 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001205266974 1091157320 /nfs/dbraw/zinc/15/73/20/1091157320.db2.gz ZCVCSRBLRNAWKX-CQSZACIVSA-N 2 1 302.340 3.289 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1OCC ZINC001205274004 1091161123 /nfs/dbraw/zinc/16/11/23/1091161123.db2.gz RKHZMFSIBIJGRC-GOSISDBHSA-N 2 1 306.450 3.187 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280762 1091162119 /nfs/dbraw/zinc/16/21/19/1091162119.db2.gz IFYJLOAAPHIBIV-LJQANCHMSA-N 2 1 310.445 3.155 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1C(F)(F)F ZINC001205281867 1091164393 /nfs/dbraw/zinc/16/43/93/1091164393.db2.gz ZBGXHXFCKHXHQB-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1C(F)(F)F ZINC001205281867 1091164396 /nfs/dbraw/zinc/16/43/96/1091164396.db2.gz ZBGXHXFCKHXHQB-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1OCC1CC1 ZINC001205296073 1091168907 /nfs/dbraw/zinc/16/89/07/1091168907.db2.gz GCYXPXOTDDSSRN-LJQANCHMSA-N 2 1 318.461 3.187 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205304635 1091174538 /nfs/dbraw/zinc/17/45/38/1091174538.db2.gz OPMUWNORZHYIED-AAEUAGOBSA-N 2 1 316.367 3.131 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC001205304014 1091174586 /nfs/dbraw/zinc/17/45/86/1091174586.db2.gz MUTVELXPEVQFKZ-HOCLYGCPSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cccn2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC001205303796 1091174670 /nfs/dbraw/zinc/17/46/70/1091174670.db2.gz KJDYCSJSQNVTOB-CABCVRRESA-N 2 1 301.409 3.033 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC001205303796 1091174676 /nfs/dbraw/zinc/17/46/76/1091174676.db2.gz KJDYCSJSQNVTOB-CABCVRRESA-N 2 1 301.409 3.033 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)C[C@H]1C[NH3+] ZINC001205303792 1091175202 /nfs/dbraw/zinc/17/52/02/1091175202.db2.gz KICAVYKZRZDDLA-GXTWGEPZSA-N 2 1 319.449 3.366 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205316777 1091181708 /nfs/dbraw/zinc/18/17/08/1091181708.db2.gz LHRVJHIJYZWJOA-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205316777 1091181717 /nfs/dbraw/zinc/18/17/17/1091181717.db2.gz LHRVJHIJYZWJOA-FZMZJTMJSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205316775 1091182022 /nfs/dbraw/zinc/18/20/22/1091182022.db2.gz LHRVJHIJYZWJOA-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205316775 1091182027 /nfs/dbraw/zinc/18/20/27/1091182027.db2.gz LHRVJHIJYZWJOA-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@H]1C[NH3+] ZINC001205316868 1091182385 /nfs/dbraw/zinc/18/23/85/1091182385.db2.gz LOHUTSQONJCPPF-HNAYVOBHSA-N 2 1 310.441 3.476 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC001205319098 1091184033 /nfs/dbraw/zinc/18/40/33/1091184033.db2.gz YRGCUXYDIVVCIT-STQMWFEESA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC001205319098 1091184038 /nfs/dbraw/zinc/18/40/38/1091184038.db2.gz YRGCUXYDIVVCIT-STQMWFEESA-N 2 1 303.837 3.305 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205319022 1091184046 /nfs/dbraw/zinc/18/40/46/1091184046.db2.gz XTJCDHJPSDWJFJ-AAEUAGOBSA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205319022 1091184048 /nfs/dbraw/zinc/18/40/48/1091184048.db2.gz XTJCDHJPSDWJFJ-AAEUAGOBSA-N 2 1 316.367 3.131 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3c[nH]nc3-c3ccc(C)cc3)C[C@H]2C1 ZINC001138450541 1091189049 /nfs/dbraw/zinc/18/90/49/1091189049.db2.gz VKYHEAYSEVXUMM-KDURUIRLSA-N 2 1 324.472 3.159 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C)cc3)C[C@@H]2C1 ZINC001138450541 1091189054 /nfs/dbraw/zinc/18/90/54/1091189054.db2.gz VKYHEAYSEVXUMM-KDURUIRLSA-N 2 1 324.472 3.159 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C)cc3)C[C@@H]2C1 ZINC001138450541 1091189063 /nfs/dbraw/zinc/18/90/63/1091189063.db2.gz VKYHEAYSEVXUMM-KDURUIRLSA-N 2 1 324.472 3.159 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C)cc3)C[C@@H]2C1 ZINC001138450541 1091189071 /nfs/dbraw/zinc/18/90/71/1091189071.db2.gz VKYHEAYSEVXUMM-KDURUIRLSA-N 2 1 324.472 3.159 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C)cc3)C[C@@H]2C1 ZINC001138450541 1091189077 /nfs/dbraw/zinc/18/90/77/1091189077.db2.gz VKYHEAYSEVXUMM-KDURUIRLSA-N 2 1 324.472 3.159 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001205340544 1091193443 /nfs/dbraw/zinc/19/34/43/1091193443.db2.gz XFCMWKLCHIJBDT-RHSMWYFYSA-N 2 1 324.415 3.021 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001138543623 1091223104 /nfs/dbraw/zinc/22/31/04/1091223104.db2.gz RRUUWYLRTJRHNF-IEBWSBKVSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001138543623 1091223109 /nfs/dbraw/zinc/22/31/09/1091223109.db2.gz RRUUWYLRTJRHNF-IEBWSBKVSA-N 2 1 311.429 3.182 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205558023 1091251076 /nfs/dbraw/zinc/25/10/76/1091251076.db2.gz APPYUTOSEUVINE-GOSISDBHSA-N 2 1 319.424 3.220 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000163420279 1091254976 /nfs/dbraw/zinc/25/49/76/1091254976.db2.gz JLLAQHKPPARNBE-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000163420279 1091254986 /nfs/dbraw/zinc/25/49/86/1091254986.db2.gz JLLAQHKPPARNBE-GXTWGEPZSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000163420408 1091255428 /nfs/dbraw/zinc/25/54/28/1091255428.db2.gz JLLAQHKPPARNBE-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000163420408 1091255433 /nfs/dbraw/zinc/25/54/33/1091255433.db2.gz JLLAQHKPPARNBE-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001205570637 1091259113 /nfs/dbraw/zinc/25/91/13/1091259113.db2.gz MOUNZXGTKRZCIQ-QGZVFWFLSA-N 2 1 305.372 3.027 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001205570452 1091259898 /nfs/dbraw/zinc/25/98/98/1091259898.db2.gz KDYITXGLLKZSGQ-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570963 1091260346 /nfs/dbraw/zinc/26/03/46/1091260346.db2.gz QTIBDKFMAZITAF-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570963 1091260351 /nfs/dbraw/zinc/26/03/51/1091260351.db2.gz QTIBDKFMAZITAF-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001205578534 1091265214 /nfs/dbraw/zinc/26/52/14/1091265214.db2.gz FAYOQWBXMBQQLM-KRWDZBQOSA-N 2 1 305.372 3.027 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205581954 1091266820 /nfs/dbraw/zinc/26/68/20/1091266820.db2.gz VTONTVJDPUOZKZ-GOSISDBHSA-N 2 1 324.440 3.135 20 0 DGADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205592108 1091270073 /nfs/dbraw/zinc/27/00/73/1091270073.db2.gz RDIMUFBHCNWNMC-HNNXBMFYSA-N 2 1 302.796 3.440 20 0 DGADMP CC(=O)n1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c2ccccc21 ZINC001205601938 1091274122 /nfs/dbraw/zinc/27/41/22/1091274122.db2.gz GVFXKXXMPPYGAZ-GDBMZVCRSA-N 2 1 313.445 3.108 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OCC)c1 ZINC001205617578 1091281195 /nfs/dbraw/zinc/28/11/95/1091281195.db2.gz LCATZKNUZIOZAP-CVEARBPZSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@H]1C[NH3+] ZINC001205617813 1091282022 /nfs/dbraw/zinc/28/20/22/1091282022.db2.gz NZYUJQUOSAHPJM-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@H]1C[NH3+] ZINC001205617813 1091282032 /nfs/dbraw/zinc/28/20/32/1091282032.db2.gz NZYUJQUOSAHPJM-ZJUUUORDSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@@H]1C[NH3+] ZINC001205618387 1091283366 /nfs/dbraw/zinc/28/33/66/1091283366.db2.gz VREUTIWIIXPSON-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cscc2Br)CC[C@H]1C[NH3+] ZINC001205618075 1091284512 /nfs/dbraw/zinc/28/45/12/1091284512.db2.gz RFCKXRGKFKWONX-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205626650 1091285396 /nfs/dbraw/zinc/28/53/96/1091285396.db2.gz HRDWYCLXUBPUIR-AAEUAGOBSA-N 2 1 316.367 3.218 20 0 DGADMP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205626695 1091285966 /nfs/dbraw/zinc/28/59/66/1091285966.db2.gz IEQXHWHIHXSDSU-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205625246 1091286136 /nfs/dbraw/zinc/28/61/36/1091286136.db2.gz AIVHTKLXUGIDFY-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC[C@@H]1C[NH3+] ZINC001205627843 1091286568 /nfs/dbraw/zinc/28/65/68/1091286568.db2.gz SIBGWLCLRNFXTM-UKRRQHHQSA-N 2 1 301.409 3.181 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629186 1091288973 /nfs/dbraw/zinc/28/89/73/1091288973.db2.gz YFKNHKQTJDWUHT-CJNGLKHVSA-N 2 1 306.498 3.062 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1F ZINC001205629487 1091288985 /nfs/dbraw/zinc/28/89/85/1091288985.db2.gz ZGKRWMXICXAEAE-GXTWGEPZSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@@H]1C[NH3+] ZINC001205637643 1091292971 /nfs/dbraw/zinc/29/29/71/1091292971.db2.gz ICBJVBRBFVHJCV-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccn2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205639039 1091293341 /nfs/dbraw/zinc/29/33/41/1091293341.db2.gz VDIWVMIZJNIEMG-PKOBYXMFSA-N 2 1 311.473 3.343 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccn2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205639038 1091293369 /nfs/dbraw/zinc/29/33/69/1091293369.db2.gz VDIWVMIZJNIEMG-MJGOQNOKSA-N 2 1 311.473 3.343 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CC[C@H]1C[NH3+] ZINC001205651143 1091295222 /nfs/dbraw/zinc/29/52/22/1091295222.db2.gz AOFGJQARLSPOJX-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC[C@@H]1C[NH3+] ZINC001205651972 1091297543 /nfs/dbraw/zinc/29/75/43/1091297543.db2.gz MSYASTZFEYAGHI-VXGBXAGGSA-N 2 1 316.367 3.234 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1F ZINC001205652045 1091298227 /nfs/dbraw/zinc/29/82/27/1091298227.db2.gz NQHFBUPBHUZSAK-GOEBONIOSA-N 2 1 308.441 3.420 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205653273 1091298418 /nfs/dbraw/zinc/29/84/18/1091298418.db2.gz SJPBOUONOAQQIW-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2[nH]ccc2c1 ZINC001138738373 1091309099 /nfs/dbraw/zinc/30/90/99/1091309099.db2.gz TUQCNLNAQUEKKH-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738373 1091309111 /nfs/dbraw/zinc/30/91/11/1091309111.db2.gz TUQCNLNAQUEKKH-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738373 1091309117 /nfs/dbraw/zinc/30/91/17/1091309117.db2.gz TUQCNLNAQUEKKH-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001138769740 1091322087 /nfs/dbraw/zinc/32/20/87/1091322087.db2.gz YJHYKHLORBNEPU-WBVHZDCISA-N 2 1 324.415 3.104 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001138769401 1091322423 /nfs/dbraw/zinc/32/24/23/1091322423.db2.gz OQWCIEDWVZUUDM-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC001205736038 1091325713 /nfs/dbraw/zinc/32/57/13/1091325713.db2.gz UDNNPYBEWGWIPE-CYBMUJFWSA-N 2 1 322.321 3.164 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC001205736038 1091325723 /nfs/dbraw/zinc/32/57/23/1091325723.db2.gz UDNNPYBEWGWIPE-CYBMUJFWSA-N 2 1 322.321 3.164 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205762794 1091337952 /nfs/dbraw/zinc/33/79/52/1091337952.db2.gz NNVAHFSOBSANQF-CQSZACIVSA-N 2 1 320.383 3.264 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205762794 1091337964 /nfs/dbraw/zinc/33/79/64/1091337964.db2.gz NNVAHFSOBSANQF-CQSZACIVSA-N 2 1 320.383 3.264 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ncccc4C)C[C@H]3C2)cc1 ZINC001205779089 1091343263 /nfs/dbraw/zinc/34/32/63/1091343263.db2.gz HOMVKCFZQIBYLJ-WOJBJXKFSA-N 2 1 321.468 3.262 20 0 DGADMP COc1ccnc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161183379 1091346692 /nfs/dbraw/zinc/34/66/92/1091346692.db2.gz WMMINMUAGLHBCH-HNNXBMFYSA-N 2 1 317.820 3.430 20 0 DGADMP COc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161183379 1091346717 /nfs/dbraw/zinc/34/67/17/1091346717.db2.gz WMMINMUAGLHBCH-HNNXBMFYSA-N 2 1 317.820 3.430 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4Cl)C[C@@H]2C1 ZINC001138832470 1091349743 /nfs/dbraw/zinc/34/97/43/1091349743.db2.gz IDWJPTRVUVLPSI-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001205912881 1091406784 /nfs/dbraw/zinc/40/67/84/1091406784.db2.gz DMPSLQQAUGAZMD-WMLDXEAASA-N 2 1 318.461 3.201 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912867 1091406911 /nfs/dbraw/zinc/40/69/11/1091406911.db2.gz DGXGAKVZTVQAHA-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912867 1091406914 /nfs/dbraw/zinc/40/69/14/1091406914.db2.gz DGXGAKVZTVQAHA-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001205912691 1091408025 /nfs/dbraw/zinc/40/80/25/1091408025.db2.gz BKVFFVTYISGSJW-DZGCQCFKSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205913165 1091408208 /nfs/dbraw/zinc/40/82/08/1091408208.db2.gz HGQIWAPTWMKPQS-UKRRQHHQSA-N 2 1 301.409 3.380 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205914743 1091409121 /nfs/dbraw/zinc/40/91/21/1091409121.db2.gz NEZCBRSWQBQMGN-GDBMZVCRSA-N 2 1 313.420 3.447 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205915868 1091409700 /nfs/dbraw/zinc/40/97/00/1091409700.db2.gz RELLHMVNTFHINQ-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205915868 1091409708 /nfs/dbraw/zinc/40/97/08/1091409708.db2.gz RELLHMVNTFHINQ-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP C[N@@H+]1C[C@H]2CN(Cc3ccccc3Oc3ccccc3)C[C@H]2C1 ZINC001139055254 1091432374 /nfs/dbraw/zinc/43/23/74/1091432374.db2.gz JWLGDTFAQGFHPL-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)cs2)CCC[C@@H]1C[NH3+] ZINC001205993108 1091439108 /nfs/dbraw/zinc/43/91/08/1091439108.db2.gz GXRMILGRNXIWCS-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@H]1C[N@@H+](CC2CCN(c3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205985302 1091435685 /nfs/dbraw/zinc/43/56/85/1091435685.db2.gz WXBCAKZOIJTHOX-PKOBYXMFSA-N 2 1 315.505 3.210 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Br)cs2)CCC[C@H]1C[NH3+] ZINC001205993115 1091439381 /nfs/dbraw/zinc/43/93/81/1091439381.db2.gz GXRMILGRNXIWCS-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(C)C ZINC001205992577 1091440131 /nfs/dbraw/zinc/44/01/31/1091440131.db2.gz FKFPGGYFDPOFIZ-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)o2)CCC[C@@H]1C[NH3+] ZINC001205995825 1091442028 /nfs/dbraw/zinc/44/20/28/1091442028.db2.gz QXAKRRHRDLMFLG-HZPDHXFCSA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cc(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003133 1091443737 /nfs/dbraw/zinc/44/37/37/1091443737.db2.gz FIFFTUWZGTWQFY-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206013519 1091449781 /nfs/dbraw/zinc/44/97/81/1091449781.db2.gz RUFLMROUVDAEPS-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206012004 1091449907 /nfs/dbraw/zinc/44/99/07/1091449907.db2.gz HXMPGGIAHFQBBY-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206014052 1091450484 /nfs/dbraw/zinc/45/04/84/1091450484.db2.gz VRNCPXZGHCYCFC-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1F ZINC001206014495 1091452168 /nfs/dbraw/zinc/45/21/68/1091452168.db2.gz WYTFDHVWRKMLTH-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccsc2Br)CCC[C@@H]1C[NH3+] ZINC001206028912 1091459692 /nfs/dbraw/zinc/45/96/92/1091459692.db2.gz ZRODGZCTBPZKST-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1SC ZINC001206037116 1091464249 /nfs/dbraw/zinc/46/42/49/1091464249.db2.gz UUVKPTSXQGNUBQ-DZGCQCFKSA-N 2 1 308.491 3.224 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc(O)cc2F)CC1 ZINC001206081106 1091483524 /nfs/dbraw/zinc/48/35/24/1091483524.db2.gz VFVURZAQAMIKKN-UHFFFAOYSA-N 2 1 300.377 3.121 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[C@@H]1F ZINC001206173159 1091519822 /nfs/dbraw/zinc/51/98/22/1091519822.db2.gz FMTWWGSVABHIFQ-DLBZAZTESA-N 2 1 317.383 3.149 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2)cc1 ZINC001206198262 1091532370 /nfs/dbraw/zinc/53/23/70/1091532370.db2.gz LYGDYSFMQLXAAD-RTBURBONSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2)cc1 ZINC001206198262 1091532377 /nfs/dbraw/zinc/53/23/77/1091532377.db2.gz LYGDYSFMQLXAAD-RTBURBONSA-N 2 1 313.420 3.318 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3cc(Cl)cnc3Cl)C2)CC1 ZINC001139359288 1091534643 /nfs/dbraw/zinc/53/46/43/1091534643.db2.gz RDORCSVIRJBSRJ-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Cl)cnc3Cl)C2)CC1 ZINC001139359288 1091534650 /nfs/dbraw/zinc/53/46/50/1091534650.db2.gz RDORCSVIRJBSRJ-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC[C@@H]1F ZINC001206214695 1091537673 /nfs/dbraw/zinc/53/76/73/1091537673.db2.gz ZDXWKXDPOSEITD-ZWKOTPCHSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC[C@H]1F ZINC001206214690 1091537792 /nfs/dbraw/zinc/53/77/92/1091537792.db2.gz ZDXWKXDPOSEITD-QZTJIDSGSA-N 2 1 317.383 3.149 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cnc1-c1ccccc1 ZINC001206211040 1091537908 /nfs/dbraw/zinc/53/79/08/1091537908.db2.gz MKMDXZCMHWGYFQ-MSOLQXFVSA-N 2 1 313.420 3.318 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cnc1-c1ccccc1 ZINC001206211040 1091537919 /nfs/dbraw/zinc/53/79/19/1091537919.db2.gz MKMDXZCMHWGYFQ-MSOLQXFVSA-N 2 1 313.420 3.318 20 0 DGADMP C[NH+](C)CCOC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001206272658 1091558568 /nfs/dbraw/zinc/55/85/68/1091558568.db2.gz JOJCWFLVYQHJCD-UHFFFAOYSA-N 2 1 310.441 3.038 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1OC ZINC001206296811 1091565359 /nfs/dbraw/zinc/56/53/59/1091565359.db2.gz UYQXTICASLDEMB-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001206304449 1091571363 /nfs/dbraw/zinc/57/13/63/1091571363.db2.gz KVRCGQOKCQJXHK-LJQANCHMSA-N 2 1 301.478 3.238 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001206310836 1091572676 /nfs/dbraw/zinc/57/26/76/1091572676.db2.gz DCRQWADUIRXOGI-AWEZNQCLSA-N 2 1 302.249 3.339 20 0 DGADMP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311665 1091572879 /nfs/dbraw/zinc/57/28/79/1091572879.db2.gz SFICWWOLEAWFCF-LJQANCHMSA-N 2 1 312.461 3.038 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnccc2C(F)(F)F)CC1 ZINC001206311452 1091573936 /nfs/dbraw/zinc/57/39/36/1091573936.db2.gz OUOKXOCIJFMDTM-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001206316732 1091574889 /nfs/dbraw/zinc/57/48/89/1091574889.db2.gz DGKSOUBFLSTYSS-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccn2Cc2ccccc2)CC1 ZINC001206318323 1091577985 /nfs/dbraw/zinc/57/79/85/1091577985.db2.gz PHMCPYOFMUDOHZ-FQEVSTJZSA-N 2 1 311.473 3.487 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506042 1091580446 /nfs/dbraw/zinc/58/04/46/1091580446.db2.gz YRTJBCGPJXYGEB-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506042 1091580451 /nfs/dbraw/zinc/58/04/51/1091580451.db2.gz YRTJBCGPJXYGEB-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506042 1091580457 /nfs/dbraw/zinc/58/04/57/1091580457.db2.gz YRTJBCGPJXYGEB-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506042 1091580468 /nfs/dbraw/zinc/58/04/68/1091580468.db2.gz YRTJBCGPJXYGEB-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139506042 1091580483 /nfs/dbraw/zinc/58/04/83/1091580483.db2.gz YRTJBCGPJXYGEB-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2(CC)COC2)CC1 ZINC001202957595 1091637437 /nfs/dbraw/zinc/63/74/37/1091637437.db2.gz FVKFYOHJBJOPTL-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542030 1091662311 /nfs/dbraw/zinc/66/23/11/1091662311.db2.gz PJXJRHAQMWFZOI-HNAYVOBHSA-N 2 1 318.461 3.045 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206547712 1091663359 /nfs/dbraw/zinc/66/33/59/1091663359.db2.gz FLNHKRDSEFEKRX-IBGZPJMESA-N 2 1 312.461 3.336 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1OC ZINC001206548159 1091665616 /nfs/dbraw/zinc/66/56/16/1091665616.db2.gz HTIZRURNPKGINA-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556784 1091668770 /nfs/dbraw/zinc/66/87/70/1091668770.db2.gz XGKMRWXDIOLNPW-OAHLLOKOSA-N 2 1 315.383 3.360 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001206575760 1091674567 /nfs/dbraw/zinc/67/45/67/1091674567.db2.gz YBPHTBIEOWEXSM-LJQANCHMSA-N 2 1 301.478 3.238 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001206573915 1091675110 /nfs/dbraw/zinc/67/51/10/1091675110.db2.gz PFJJLQITIXMKSY-IBGZPJMESA-N 2 1 319.468 3.377 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001206574224 1091675369 /nfs/dbraw/zinc/67/53/69/1091675369.db2.gz RDEKALCTHSUSML-INIZCTEOSA-N 2 1 316.367 3.378 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001206574224 1091675374 /nfs/dbraw/zinc/67/53/74/1091675374.db2.gz RDEKALCTHSUSML-INIZCTEOSA-N 2 1 316.367 3.378 20 0 DGADMP CC(C)[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206590977 1091681189 /nfs/dbraw/zinc/68/11/89/1091681189.db2.gz OMTUGPRLWHCDBJ-CQSZACIVSA-N 2 1 324.852 3.421 20 0 DGADMP COc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC001206589517 1091681404 /nfs/dbraw/zinc/68/14/04/1091681404.db2.gz HPFAXUVPRBUIQE-QGZVFWFLSA-N 2 1 320.477 3.365 20 0 DGADMP CSc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC001206599149 1091683898 /nfs/dbraw/zinc/68/38/98/1091683898.db2.gz OZSYFLJBKHVXMX-MRXNPFEDSA-N 2 1 307.507 3.464 20 0 DGADMP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(C)n1 ZINC001206597701 1091684590 /nfs/dbraw/zinc/68/45/90/1091684590.db2.gz FGABZIHXFKLGAY-QGZVFWFLSA-N 2 1 305.466 3.141 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001206616842 1091692047 /nfs/dbraw/zinc/69/20/47/1091692047.db2.gz RAZFJPHGHQIORZ-HNNXBMFYSA-N 2 1 301.409 3.177 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c2c1 ZINC001206623587 1091693141 /nfs/dbraw/zinc/69/31/41/1091693141.db2.gz NJGMCNFNSXQNKE-AWEZNQCLSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206718826 1091710566 /nfs/dbraw/zinc/71/05/66/1091710566.db2.gz YDLXPCZMEGEQCU-ROUUACIJSA-N 2 1 317.477 3.110 20 0 DGADMP Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934115 1091718309 /nfs/dbraw/zinc/71/83/09/1091718309.db2.gz DLHCDRZZVYOYGX-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccc(Br)cc1 ZINC001206760318 1091727056 /nfs/dbraw/zinc/72/70/56/1091727056.db2.gz CVEJOYFMQNPZHW-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001206761082 1091728035 /nfs/dbraw/zinc/72/80/35/1091728035.db2.gz SSJAPYFSLLDAFI-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001206767617 1091730452 /nfs/dbraw/zinc/73/04/52/1091730452.db2.gz CNNGFWAUAMYFJH-DOTOQJQBSA-N 2 1 311.473 3.465 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771429 1091733144 /nfs/dbraw/zinc/73/31/44/1091733144.db2.gz WQYPTMFXIALCGQ-ZYHUDNBSSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771429 1091733150 /nfs/dbraw/zinc/73/31/50/1091733150.db2.gz WQYPTMFXIALCGQ-ZYHUDNBSSA-N 2 1 304.331 3.404 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3ccccc3cn2)CC1 ZINC001140000576 1091735359 /nfs/dbraw/zinc/73/53/59/1091735359.db2.gz JWLHGFLYIKPIIQ-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)n2c1 ZINC001206801300 1091746490 /nfs/dbraw/zinc/74/64/90/1091746490.db2.gz VBNHCRSEFRJBMQ-FUHWJXTLSA-N 2 1 314.477 3.195 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)n2c1 ZINC001206801300 1091746498 /nfs/dbraw/zinc/74/64/98/1091746498.db2.gz VBNHCRSEFRJBMQ-FUHWJXTLSA-N 2 1 314.477 3.195 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206812185 1091751004 /nfs/dbraw/zinc/75/10/04/1091751004.db2.gz XNYMQROPDWGWBL-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206812185 1091751011 /nfs/dbraw/zinc/75/10/11/1091751011.db2.gz XNYMQROPDWGWBL-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001207146926 1091861038 /nfs/dbraw/zinc/86/10/38/1091861038.db2.gz QEIVYVQPYMZQPK-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CCC3CCCC3)CC2)C1 ZINC001276512219 1091866750 /nfs/dbraw/zinc/86/67/50/1091866750.db2.gz QLQMGUAEZNGUMN-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3-c3nccs3)C[C@H]2C1 ZINC001140455149 1091874619 /nfs/dbraw/zinc/87/46/19/1091874619.db2.gz XXRMDQDXVNGBIZ-HZPDHXFCSA-N 2 1 313.470 3.194 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC001140511314 1091894879 /nfs/dbraw/zinc/89/48/79/1091894879.db2.gz CGMYOBRXZQDDTE-UHFFFAOYSA-N 2 1 314.477 3.270 20 0 DGADMP CN(CC(C)(C)C[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001207285046 1091909911 /nfs/dbraw/zinc/90/99/11/1091909911.db2.gz YMSNEVCDLOBURZ-IBGZPJMESA-N 2 1 317.521 3.171 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207283965 1091910881 /nfs/dbraw/zinc/91/08/81/1091910881.db2.gz GFKXGZKYNRYTRJ-INIZCTEOSA-N 2 1 321.484 3.092 20 0 DGADMP CCN(CC(C)(C)C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207282321 1091911216 /nfs/dbraw/zinc/91/12/16/1091911216.db2.gz HYTNBFQHCSFXEM-LJQANCHMSA-N 2 1 317.521 3.171 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCCC4(COC4)C3)CC2)cc1 ZINC001207288630 1091913053 /nfs/dbraw/zinc/91/30/53/1091913053.db2.gz BCTBWGIEGIBWJX-UHFFFAOYSA-N 2 1 314.473 3.011 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCCO1 ZINC001207291535 1091914059 /nfs/dbraw/zinc/91/40/59/1091914059.db2.gz RNTSOJXMZNBMSP-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001207293727 1091914569 /nfs/dbraw/zinc/91/45/69/1091914569.db2.gz LBQOCBTUDHYZRA-FQEVSTJZSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001207399074 1091953680 /nfs/dbraw/zinc/95/36/80/1091953680.db2.gz YOMSSIGDKORSLA-OXJNMPFZSA-N 2 1 316.489 3.334 20 0 DGADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)Cc2cccnc2)CC1 ZINC001207398538 1091953896 /nfs/dbraw/zinc/95/38/96/1091953896.db2.gz XYRSIFJBERGRPH-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001207399096 1091954191 /nfs/dbraw/zinc/95/41/91/1091954191.db2.gz ZQEUBPFLHYETNA-UHFFFAOYSA-N 2 1 323.278 3.149 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001140710693 1091969620 /nfs/dbraw/zinc/96/96/20/1091969620.db2.gz RDOLLPPVKOWJQH-VQTJNVASSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001140710693 1091969626 /nfs/dbraw/zinc/96/96/26/1091969626.db2.gz RDOLLPPVKOWJQH-VQTJNVASSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001140710693 1091969630 /nfs/dbraw/zinc/96/96/30/1091969630.db2.gz RDOLLPPVKOWJQH-VQTJNVASSA-N 2 1 309.457 3.359 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC001207437235 1091969686 /nfs/dbraw/zinc/96/96/86/1091969686.db2.gz FJQJNTQGTHBCJF-MRXNPFEDSA-N 2 1 322.880 3.491 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](CCC3CC[NH+](C)CC3)C2)c1 ZINC001207488916 1091986613 /nfs/dbraw/zinc/98/66/13/1091986613.db2.gz STWUUEASLARGNA-GOSISDBHSA-N 2 1 302.462 3.216 20 0 DGADMP c1[nH]c2ccncc2c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140803414 1092008731 /nfs/dbraw/zinc/00/87/31/1092008731.db2.gz PLARGRZQPAPJQY-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3cnc4cc[nH]cc3-4)CC2)CC1 ZINC001140806332 1092010685 /nfs/dbraw/zinc/01/06/85/1092010685.db2.gz FWFSVRMRDGDDIC-UHFFFAOYSA-N 2 1 312.461 3.117 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)CC1 ZINC001140806332 1092010696 /nfs/dbraw/zinc/01/06/96/1092010696.db2.gz FWFSVRMRDGDDIC-UHFFFAOYSA-N 3 1 312.461 3.117 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621081 1092045032 /nfs/dbraw/zinc/04/50/32/1092045032.db2.gz YZTSFXHQHDDDKA-MTQWCTHYSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621081 1092045043 /nfs/dbraw/zinc/04/50/43/1092045043.db2.gz YZTSFXHQHDDDKA-MTQWCTHYSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621081 1092045051 /nfs/dbraw/zinc/04/50/51/1092045051.db2.gz YZTSFXHQHDDDKA-MTQWCTHYSA-N 2 1 318.505 3.021 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001207621081 1092045060 /nfs/dbraw/zinc/04/50/60/1092045060.db2.gz YZTSFXHQHDDDKA-MTQWCTHYSA-N 2 1 318.505 3.021 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001276403901 1092081219 /nfs/dbraw/zinc/08/12/19/1092081219.db2.gz KTZBWVMSVLBPQR-OALUTQOASA-N 2 1 310.445 3.154 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)[C@H]1C ZINC001140974145 1092091866 /nfs/dbraw/zinc/09/18/66/1092091866.db2.gz VMOVZMMYBLTVDA-SJORKVTESA-N 2 1 301.478 3.059 20 0 DGADMP CCC[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC(C)C ZINC001140974683 1092092006 /nfs/dbraw/zinc/09/20/06/1092092006.db2.gz GLLKUSBMVQFXBZ-UHFFFAOYSA-N 2 1 303.494 3.306 20 0 DGADMP CC1(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)COC1 ZINC001207791097 1092100928 /nfs/dbraw/zinc/10/09/28/1092100928.db2.gz GEGMWRWFAWZLDG-UHFFFAOYSA-N 2 1 320.502 3.073 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001207843855 1092116659 /nfs/dbraw/zinc/11/66/59/1092116659.db2.gz HFRASIMYFZMWFC-NSGGIEJNSA-N 2 1 323.484 3.486 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@H]3CCCO3)C[C@@H]21 ZINC001207852521 1092120242 /nfs/dbraw/zinc/12/02/42/1092120242.db2.gz NBBYROSAZHXFOA-TTYHFUOFSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852521 1092120249 /nfs/dbraw/zinc/12/02/49/1092120249.db2.gz NBBYROSAZHXFOA-TTYHFUOFSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852521 1092120255 /nfs/dbraw/zinc/12/02/55/1092120255.db2.gz NBBYROSAZHXFOA-TTYHFUOFSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852521 1092120263 /nfs/dbraw/zinc/12/02/63/1092120263.db2.gz NBBYROSAZHXFOA-TTYHFUOFSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852521 1092120265 /nfs/dbraw/zinc/12/02/65/1092120265.db2.gz NBBYROSAZHXFOA-TTYHFUOFSA-N 2 1 314.473 3.276 20 0 DGADMP Cc1cccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1Br ZINC001141090337 1092134809 /nfs/dbraw/zinc/13/48/09/1092134809.db2.gz QLPKSORKBIRRRW-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1Br ZINC001141090337 1092134812 /nfs/dbraw/zinc/13/48/12/1092134812.db2.gz QLPKSORKBIRRRW-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1Br ZINC001141090337 1092134818 /nfs/dbraw/zinc/13/48/18/1092134818.db2.gz QLPKSORKBIRRRW-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Br ZINC001141090337 1092134822 /nfs/dbraw/zinc/13/48/22/1092134822.db2.gz QLPKSORKBIRRRW-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Br ZINC001141090337 1092134829 /nfs/dbraw/zinc/13/48/29/1092134829.db2.gz QLPKSORKBIRRRW-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208106500 1092197547 /nfs/dbraw/zinc/19/75/47/1092197547.db2.gz FYJZVMPNVGDGOI-INIZCTEOSA-N 2 1 302.462 3.216 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001208108549 1092198551 /nfs/dbraw/zinc/19/85/51/1092198551.db2.gz FJMCLEZVTPFSJF-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001208107624 1092198693 /nfs/dbraw/zinc/19/86/93/1092198693.db2.gz QRVBWRZSFFWRGW-QYZOEREBSA-N 2 1 320.521 3.245 20 0 DGADMP CC(C)c1noc([C@H]2CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)n1 ZINC001208108302 1092199134 /nfs/dbraw/zinc/19/91/34/1092199134.db2.gz DPOPKDYUWHWARI-HNNXBMFYSA-N 2 1 320.481 3.104 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc4c(cc3Cl)OCO4)(C1)CCC2 ZINC001276556947 1092202347 /nfs/dbraw/zinc/20/23/47/1092202347.db2.gz TZKABOMLRBBXDB-DLBZAZTESA-N 2 1 322.836 3.223 20 0 DGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC1 ZINC001208168679 1092235033 /nfs/dbraw/zinc/23/50/33/1092235033.db2.gz IUOQKQMAIZNJKZ-HOTGVXAUSA-N 2 1 305.466 3.109 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCOC[C@H]2C2CCCCC2)CCCC1 ZINC001208188093 1092247804 /nfs/dbraw/zinc/24/78/04/1092247804.db2.gz SOEGUAPPDSVFHS-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCOC[C@H]2C2CCCCC2)CCCC1 ZINC001208188093 1092247811 /nfs/dbraw/zinc/24/78/11/1092247811.db2.gz SOEGUAPPDSVFHS-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CCCC1 ZINC001208185210 1092249900 /nfs/dbraw/zinc/24/99/00/1092249900.db2.gz XCVQJQCJOROQKP-AWEZNQCLSA-N 2 1 310.379 3.332 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](OCc3ccccc3)C2)CCCC1 ZINC001208188335 1092252440 /nfs/dbraw/zinc/25/24/40/1092252440.db2.gz XZZFJVSNPPUESG-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP Fc1cc2ncccc2cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001141620841 1092295864 /nfs/dbraw/zinc/29/58/64/1092295864.db2.gz JQPFEAAKUFVZIN-UHFFFAOYSA-N 2 1 322.387 3.091 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC001205990902 1092309705 /nfs/dbraw/zinc/30/97/05/1092309705.db2.gz XKFZRQXGXNCUQA-SFHVURJKSA-N 2 1 304.503 3.467 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001205990902 1092309712 /nfs/dbraw/zinc/30/97/12/1092309712.db2.gz XKFZRQXGXNCUQA-SFHVURJKSA-N 2 1 304.503 3.467 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)s2)CCC[C@H]1C[NH3+] ZINC001205991738 1092342093 /nfs/dbraw/zinc/34/20/93/1092342093.db2.gz BUMBEVDHAZSJMB-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001208602118 1092421626 /nfs/dbraw/zinc/42/16/26/1092421626.db2.gz YLAITMUINQBOOG-GOSISDBHSA-N 2 1 302.462 3.216 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001208616459 1092430678 /nfs/dbraw/zinc/43/06/78/1092430678.db2.gz LFNBLADYSNVLIO-SFHVURJKSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001208616459 1092430684 /nfs/dbraw/zinc/43/06/84/1092430684.db2.gz LFNBLADYSNVLIO-SFHVURJKSA-N 2 1 314.473 3.009 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCC1CCCC1)C2 ZINC001208694300 1092462147 /nfs/dbraw/zinc/46/21/47/1092462147.db2.gz WARYSRCMZBCQMD-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCC1CCCC1)C2 ZINC001208694300 1092462155 /nfs/dbraw/zinc/46/21/55/1092462155.db2.gz WARYSRCMZBCQMD-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCC1CCCC1)C2 ZINC001208694300 1092462165 /nfs/dbraw/zinc/46/21/65/1092462165.db2.gz WARYSRCMZBCQMD-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001208727732 1092475639 /nfs/dbraw/zinc/47/56/39/1092475639.db2.gz HXMZHTBLEZIAPT-PLNGDYQASA-N 2 1 316.493 3.207 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001208727732 1092475645 /nfs/dbraw/zinc/47/56/45/1092475645.db2.gz HXMZHTBLEZIAPT-PLNGDYQASA-N 2 1 316.493 3.207 20 0 DGADMP COc1ccc(F)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276585111 1092486971 /nfs/dbraw/zinc/48/69/71/1092486971.db2.gz PTOIKPGDPOXIDU-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208785712 1092506342 /nfs/dbraw/zinc/50/63/42/1092506342.db2.gz IATSLVUWENNIIO-BZSNNMDCSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208785712 1092506353 /nfs/dbraw/zinc/50/63/53/1092506353.db2.gz IATSLVUWENNIIO-BZSNNMDCSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001208785712 1092506362 /nfs/dbraw/zinc/50/63/62/1092506362.db2.gz IATSLVUWENNIIO-BZSNNMDCSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208785719 1092508614 /nfs/dbraw/zinc/50/86/14/1092508614.db2.gz IATSLVUWENNIIO-SQNIBIBYSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@H](CCC(=O)OC)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208785719 1092508629 /nfs/dbraw/zinc/50/86/29/1092508629.db2.gz IATSLVUWENNIIO-SQNIBIBYSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@H](CCC(=O)OC)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001208785719 1092508643 /nfs/dbraw/zinc/50/86/43/1092508643.db2.gz IATSLVUWENNIIO-SQNIBIBYSA-N 2 1 324.509 3.305 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001169092715 1092521316 /nfs/dbraw/zinc/52/13/16/1092521316.db2.gz CMOAKWMYONCZTN-ANKDNPKESA-N 2 1 301.478 3.395 20 0 DGADMP c1nc2c(cccc2C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001142687735 1092531123 /nfs/dbraw/zinc/53/11/23/1092531123.db2.gz WGWONVGDAJARLC-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2cccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c2[nH]1 ZINC001142687735 1092531135 /nfs/dbraw/zinc/53/11/35/1092531135.db2.gz WGWONVGDAJARLC-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2cccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c2[nH]1 ZINC001142687735 1092531151 /nfs/dbraw/zinc/53/11/51/1092531151.db2.gz WGWONVGDAJARLC-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001169102312 1092532957 /nfs/dbraw/zinc/53/29/57/1092532957.db2.gz ZMMYACPWFRJNDT-JYYAWHABSA-N 2 1 305.853 3.401 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119377 1092541195 /nfs/dbraw/zinc/54/11/95/1092541195.db2.gz SCGHFUVNXVQUIS-GDBXOISBSA-N 2 1 305.510 3.126 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119377 1092541204 /nfs/dbraw/zinc/54/12/04/1092541204.db2.gz SCGHFUVNXVQUIS-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119377 1092541211 /nfs/dbraw/zinc/54/12/11/1092541211.db2.gz SCGHFUVNXVQUIS-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119377 1092541223 /nfs/dbraw/zinc/54/12/23/1092541223.db2.gz SCGHFUVNXVQUIS-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119377 1092541232 /nfs/dbraw/zinc/54/12/32/1092541232.db2.gz SCGHFUVNXVQUIS-GDBXOISBSA-N 3 1 305.510 3.126 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118090 1092543087 /nfs/dbraw/zinc/54/30/87/1092543087.db2.gz DKSGCGPMXZCSND-JYYAWHABSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118090 1092543096 /nfs/dbraw/zinc/54/30/96/1092543096.db2.gz DKSGCGPMXZCSND-JYYAWHABSA-N 2 1 305.853 3.401 20 0 DGADMP Oc1cccnc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001276594126 1092544231 /nfs/dbraw/zinc/54/42/31/1092544231.db2.gz QVNFYYWIYRLWMZ-RBUKOAKNSA-N 2 1 315.461 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccccc3)CC1)C2 ZINC001169139659 1092551485 /nfs/dbraw/zinc/55/14/85/1092551485.db2.gz CUUIGKQOYXBOFY-BWTSREIZSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(C[NH3+])cc1C(F)(F)F)C2 ZINC001169109430 1092552962 /nfs/dbraw/zinc/55/29/62/1092552962.db2.gz IIYPVXCSFUSONA-XYYAHUGASA-N 2 1 313.367 3.201 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(Cl)cc3C1)C2 ZINC001169108201 1092554264 /nfs/dbraw/zinc/55/42/64/1092554264.db2.gz PGDJEXPSEQAMIP-ZJPYXAASSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001169108351 1092554820 /nfs/dbraw/zinc/55/48/20/1092554820.db2.gz RSJXDWKXYRFKET-LVQVYYBASA-N 2 1 309.457 3.255 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142885 1092559173 /nfs/dbraw/zinc/55/91/73/1092559173.db2.gz XCPXBWOPIVLVSA-JJXSEGSLSA-N 2 1 322.399 3.043 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142885 1092559182 /nfs/dbraw/zinc/55/91/82/1092559182.db2.gz XCPXBWOPIVLVSA-JJXSEGSLSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142885 1092559187 /nfs/dbraw/zinc/55/91/87/1092559187.db2.gz XCPXBWOPIVLVSA-JJXSEGSLSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142885 1092559195 /nfs/dbraw/zinc/55/91/95/1092559195.db2.gz XCPXBWOPIVLVSA-JJXSEGSLSA-N 2 1 322.399 3.043 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(n3ncc4ccccc43)CC1)C2 ZINC001169146586 1092561008 /nfs/dbraw/zinc/56/10/08/1092561008.db2.gz QLDGOHZSRINJCA-BWTSREIZSA-N 2 1 324.472 3.298 20 0 DGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCC=CO2)CC3)co1 ZINC001208882775 1092563425 /nfs/dbraw/zinc/56/34/25/1092563425.db2.gz CHHKLHQJAQPZST-SFHVURJKSA-N 2 1 316.445 3.260 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001169189063 1092579517 /nfs/dbraw/zinc/57/95/17/1092579517.db2.gz PRFPBEXCGWEJAR-KRWDZBQOSA-N 2 1 321.428 3.036 20 0 DGADMP C[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930466 1092592145 /nfs/dbraw/zinc/59/21/45/1092592145.db2.gz BLARHJBGHODTMX-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP C[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930466 1092592150 /nfs/dbraw/zinc/59/21/50/1092592150.db2.gz BLARHJBGHODTMX-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930466 1092592154 /nfs/dbraw/zinc/59/21/54/1092592154.db2.gz BLARHJBGHODTMX-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930466 1092592159 /nfs/dbraw/zinc/59/21/59/1092592159.db2.gz BLARHJBGHODTMX-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP C[N@H+](C[C@H]1CCCCO1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934750 1092594824 /nfs/dbraw/zinc/59/48/24/1092594824.db2.gz GKGMVQCGYMFQJZ-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@H]1CCCCO1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208934750 1092594832 /nfs/dbraw/zinc/59/48/32/1092594832.db2.gz GKGMVQCGYMFQJZ-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@H]1CCCCO1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208934750 1092594839 /nfs/dbraw/zinc/59/48/39/1092594839.db2.gz GKGMVQCGYMFQJZ-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@@]4(CCO4)C3)C2)cc1 ZINC001208940262 1092603762 /nfs/dbraw/zinc/60/37/62/1092603762.db2.gz QPNORQBOSVCWNZ-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@@]4(CCO4)C3)C2)cc1 ZINC001208940262 1092603766 /nfs/dbraw/zinc/60/37/66/1092603766.db2.gz QPNORQBOSVCWNZ-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@@]4(CCO4)C3)C2)cc1 ZINC001208940262 1092603773 /nfs/dbraw/zinc/60/37/73/1092603773.db2.gz QPNORQBOSVCWNZ-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@H]([NH3+])c1ccn(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)n1 ZINC001169234294 1092605872 /nfs/dbraw/zinc/60/58/72/1092605872.db2.gz GCYXUVAEKRXIMH-HNNXBMFYSA-N 2 1 318.424 3.408 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208952561 1092609592 /nfs/dbraw/zinc/60/95/92/1092609592.db2.gz KSYCBQNLKCRWMV-OALUTQOASA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208952561 1092609598 /nfs/dbraw/zinc/60/95/98/1092609598.db2.gz KSYCBQNLKCRWMV-OALUTQOASA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208952561 1092609601 /nfs/dbraw/zinc/60/96/01/1092609601.db2.gz KSYCBQNLKCRWMV-OALUTQOASA-N 2 1 302.462 3.008 20 0 DGADMP FC(F)C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954571 1092609807 /nfs/dbraw/zinc/60/98/07/1092609807.db2.gz WKOLUIMNDMJZQY-MRXNPFEDSA-N 2 1 308.416 3.486 20 0 DGADMP CCOCC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952776 1092609846 /nfs/dbraw/zinc/60/98/46/1092609846.db2.gz LHUVBTYAMQOVFJ-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208952560 1092609919 /nfs/dbraw/zinc/60/99/19/1092609919.db2.gz KSYCBQNLKCRWMV-MOPGFXCFSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208952560 1092609923 /nfs/dbraw/zinc/60/99/23/1092609923.db2.gz KSYCBQNLKCRWMV-MOPGFXCFSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208952560 1092609926 /nfs/dbraw/zinc/60/99/26/1092609926.db2.gz KSYCBQNLKCRWMV-MOPGFXCFSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001169244434 1092613882 /nfs/dbraw/zinc/61/38/82/1092613882.db2.gz OISILQRLOGMRNW-HZPDHXFCSA-N 2 1 323.278 3.379 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001169244277 1092613920 /nfs/dbraw/zinc/61/39/20/1092613920.db2.gz LEBQDHLDONNNQA-UHFFFAOYSA-N 2 1 322.880 3.108 20 0 DGADMP CCN1CCC([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241637 1092613966 /nfs/dbraw/zinc/61/39/66/1092613966.db2.gz XIYBJTVAOAZMFF-WGSAOQKQSA-N 2 1 315.505 3.243 20 0 DGADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241637 1092613969 /nfs/dbraw/zinc/61/39/69/1092613969.db2.gz XIYBJTVAOAZMFF-WGSAOQKQSA-N 3 1 315.505 3.243 20 0 DGADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241637 1092613972 /nfs/dbraw/zinc/61/39/72/1092613972.db2.gz XIYBJTVAOAZMFF-WGSAOQKQSA-N 3 1 315.505 3.243 20 0 DGADMP CC[NH+]1CCC(N2CCC(Oc3ccccc3C)CC2)CC1 ZINC001169246748 1092614982 /nfs/dbraw/zinc/61/49/82/1092614982.db2.gz WCWLBUBVKJKVMR-UHFFFAOYSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Oc3ccccc3C)CC2)CC1 ZINC001169246748 1092614987 /nfs/dbraw/zinc/61/49/87/1092614987.db2.gz WCWLBUBVKJKVMR-UHFFFAOYSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276623970 1092690633 /nfs/dbraw/zinc/69/06/33/1092690633.db2.gz OFYNNWLZKBHPOK-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276623970 1092690635 /nfs/dbraw/zinc/69/06/35/1092690635.db2.gz OFYNNWLZKBHPOK-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276623970 1092690640 /nfs/dbraw/zinc/69/06/40/1092690640.db2.gz OFYNNWLZKBHPOK-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP C[N@@H+](CCCCOCc1ccccc1)CCC[NH+]1CCCC1 ZINC001209259395 1092717069 /nfs/dbraw/zinc/71/70/69/1092717069.db2.gz VOINCFZHJXEZCS-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC001209298873 1092728600 /nfs/dbraw/zinc/72/86/00/1092728600.db2.gz LYMIAMMZZXYGHB-WOJBJXKFSA-N 2 1 322.452 3.129 20 0 DGADMP c1ccc(OCC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001209301331 1092729078 /nfs/dbraw/zinc/72/90/78/1092729078.db2.gz ATVNGHXOGCVHKA-SFHVURJKSA-N 2 1 302.462 3.406 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCOCc3ccccc3)C2)C1 ZINC001276637575 1092744873 /nfs/dbraw/zinc/74/48/73/1092744873.db2.gz FNBFKJSYZQSRBM-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209410416 1092762610 /nfs/dbraw/zinc/76/26/10/1092762610.db2.gz PAGNWDFTSDRJTL-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209410416 1092762619 /nfs/dbraw/zinc/76/26/19/1092762619.db2.gz PAGNWDFTSDRJTL-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209410416 1092762624 /nfs/dbraw/zinc/76/26/24/1092762624.db2.gz PAGNWDFTSDRJTL-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP COc1ccc(CC[N@@H+](C)CCC[NH+]2CCCCC2)cc1OC ZINC001209448172 1092779260 /nfs/dbraw/zinc/77/92/60/1092779260.db2.gz ORZMPXCFVRMUBP-UHFFFAOYSA-N 2 1 320.477 3.054 20 0 DGADMP CC(C)c1noc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209450788 1092779311 /nfs/dbraw/zinc/77/93/11/1092779311.db2.gz LQDLFLOVEIFVDJ-MRXNPFEDSA-N 2 1 320.481 3.248 20 0 DGADMP CC(C)c1noc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209450788 1092779320 /nfs/dbraw/zinc/77/93/20/1092779320.db2.gz LQDLFLOVEIFVDJ-MRXNPFEDSA-N 2 1 320.481 3.248 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209454830 1092780530 /nfs/dbraw/zinc/78/05/30/1092780530.db2.gz UWGKASIXLWKTLH-GOSISDBHSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1cccc(O[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209454830 1092780536 /nfs/dbraw/zinc/78/05/36/1092780536.db2.gz UWGKASIXLWKTLH-GOSISDBHSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1n[nH]cc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209555950 1092820220 /nfs/dbraw/zinc/82/02/20/1092820220.db2.gz NTLGIFFHOXNNQD-UFYCRDLUSA-N 2 1 324.472 3.329 20 0 DGADMP Cc1n[nH]cc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209555950 1092820223 /nfs/dbraw/zinc/82/02/23/1092820223.db2.gz NTLGIFFHOXNNQD-UFYCRDLUSA-N 2 1 324.472 3.329 20 0 DGADMP Cc1n[nH]cc1C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209555950 1092820230 /nfs/dbraw/zinc/82/02/30/1092820230.db2.gz NTLGIFFHOXNNQD-UFYCRDLUSA-N 2 1 324.472 3.329 20 0 DGADMP Cc1n[nH]cc1C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209555950 1092820236 /nfs/dbraw/zinc/82/02/36/1092820236.db2.gz NTLGIFFHOXNNQD-UFYCRDLUSA-N 2 1 324.472 3.329 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc4[nH]cc(Cl)c43)C[C@H]2C1 ZINC001209660266 1092866991 /nfs/dbraw/zinc/86/69/91/1092866991.db2.gz JLQJMNWPZYMZBN-ZIAGYGMSSA-N 2 1 303.837 3.205 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001206639073 1092869268 /nfs/dbraw/zinc/86/92/68/1092869268.db2.gz BDFZYQGHGQZOAG-OAHLLOKOSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001206640942 1092890376 /nfs/dbraw/zinc/89/03/76/1092890376.db2.gz PWFWFVNGTGUHRF-MRXNPFEDSA-N 2 1 302.462 3.141 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001206641205 1092899210 /nfs/dbraw/zinc/89/92/10/1092899210.db2.gz UJUPVIWPITZTRO-CQSZACIVSA-N 2 1 318.852 3.087 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C1 ZINC001276672429 1092917226 /nfs/dbraw/zinc/91/72/26/1092917226.db2.gz AWJJXQAVYFKNIP-UHFFFAOYSA-N 2 1 304.482 3.015 20 0 DGADMP CN1CCN(c2cncc(Nc3ccc4cnccc4c3)c2)CC1 ZINC001210047152 1093026812 /nfs/dbraw/zinc/02/68/12/1093026812.db2.gz NYVQOQHYVMWJEN-UHFFFAOYSA-N 2 1 319.412 3.125 20 0 DGADMP c1c2ccccc2sc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262197 1093100588 /nfs/dbraw/zinc/10/05/88/1093100588.db2.gz CLZMRTQLBLNOFY-UHFFFAOYSA-N 2 1 310.426 3.450 20 0 DGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276713564 1093821238 /nfs/dbraw/zinc/82/12/38/1093821238.db2.gz JILXDHSZAWFJHM-FQEVSTJZSA-N 3 1 319.537 3.107 20 0 DGADMP C(C1CC[NH2+]CC1)[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276713564 1093821243 /nfs/dbraw/zinc/82/12/43/1093821243.db2.gz JILXDHSZAWFJHM-FQEVSTJZSA-N 3 1 319.537 3.107 20 0 DGADMP C(C1CC[NH2+]CC1)[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276713564 1093821246 /nfs/dbraw/zinc/82/12/46/1093821246.db2.gz JILXDHSZAWFJHM-FQEVSTJZSA-N 3 1 319.537 3.107 20 0 DGADMP C(C1CC[NH2+]CC1)[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276714488 1093849665 /nfs/dbraw/zinc/84/96/65/1093849665.db2.gz YCIGHXTXLXUDBI-UHFFFAOYSA-N 3 1 319.537 3.107 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1[nH]nc3ccc(Cl)cc31)CC2 ZINC001276723056 1093989094 /nfs/dbraw/zinc/98/90/94/1093989094.db2.gz BIDMSHQNVGZUGW-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1[nH]nc3ccc(Cl)cc31)CC2 ZINC001276723056 1093989099 /nfs/dbraw/zinc/98/90/99/1093989099.db2.gz BIDMSHQNVGZUGW-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1n[nH]c3ccc(Cl)cc31)CC2 ZINC001276723056 1093989103 /nfs/dbraw/zinc/98/91/03/1093989103.db2.gz BIDMSHQNVGZUGW-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1n[nH]c3ccc(Cl)cc31)CC2 ZINC001276723056 1093989106 /nfs/dbraw/zinc/98/91/06/1093989106.db2.gz BIDMSHQNVGZUGW-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP CC[NH+](CC)Cc1ccc(F)c(Nc2c(N)cc[nH+]c2OC)c1 ZINC001215725064 1094041653 /nfs/dbraw/zinc/04/16/53/1094041653.db2.gz VAFVNUHTWQVQPX-UHFFFAOYSA-N 2 1 318.396 3.397 20 0 DGADMP CN1C[C@H]2C[C@@H](C1)[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001276733995 1094110092 /nfs/dbraw/zinc/11/00/92/1094110092.db2.gz OZVJYOURYVNJKR-XLIONFOSSA-N 2 1 306.453 3.454 20 0 DGADMP COc1nccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1Cl ZINC001276745280 1094240135 /nfs/dbraw/zinc/24/01/35/1094240135.db2.gz WNCXGLCMRMMHOE-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1C ZINC001119988162 1094335987 /nfs/dbraw/zinc/33/59/87/1094335987.db2.gz GDONRVAQCRKWST-BZSNNMDCSA-N 2 1 302.462 3.166 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(O)c3Cl)C[C@@H]2C1 ZINC001120070837 1094370549 /nfs/dbraw/zinc/37/05/49/1094370549.db2.gz CIEQBBBHTNXDHF-VHDGCEQUSA-N 2 1 308.853 3.208 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(-c2ccc(Cl)cc2)o1 ZINC001217713307 1094480996 /nfs/dbraw/zinc/48/09/96/1094480996.db2.gz OCWMJEUJQLIBOZ-ZDUSSCGKSA-N 2 1 308.813 3.122 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)cc4c3OCCC4)(C1)CCC2 ZINC001276760309 1094488424 /nfs/dbraw/zinc/48/84/24/1094488424.db2.gz SFJFRBUCGGTMRO-RBUKOAKNSA-N 2 1 318.436 3.305 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001217766372 1094491090 /nfs/dbraw/zinc/49/10/90/1094491090.db2.gz UTJAMNKHMVMWPR-OAQYLSRUSA-N 2 1 322.452 3.123 20 0 DGADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CCCOCC1 ZINC001170810148 1094497614 /nfs/dbraw/zinc/49/76/14/1094497614.db2.gz XIXVRQWTMWVUCS-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP [NH3+]Cc1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217823060 1094500403 /nfs/dbraw/zinc/50/04/03/1094500403.db2.gz LHIDXWDDARHGSC-HXUWFJFHSA-N 2 1 310.441 3.327 20 0 DGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OC[C@H]3CC[NH2+]C3)C2)cc1 ZINC001217827407 1094501379 /nfs/dbraw/zinc/50/13/79/1094501379.db2.gz LUEKMAJEIZCWQI-KRWDZBQOSA-N 2 1 322.452 3.086 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001217886800 1094511269 /nfs/dbraw/zinc/51/12/69/1094511269.db2.gz WKKUAFBLGREZRV-VNTMZGSJSA-N 2 1 314.473 3.198 20 0 DGADMP [NH3+]CCCCCCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001217883330 1094511520 /nfs/dbraw/zinc/51/15/20/1094511520.db2.gz IMOCALHMIIBKLI-PMOLBWCYSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]1CC[C@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC001217909646 1094515257 /nfs/dbraw/zinc/51/52/57/1094515257.db2.gz GRKUJUSOVGKRNP-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc(N2CCC[C@H](OCCC[C@H]3CCC[NH2+]C3)C2)[nH+]c1 ZINC001217914508 1094517263 /nfs/dbraw/zinc/51/72/63/1094517263.db2.gz ZKGPQFZGQGZZSN-MSOLQXFVSA-N 2 1 317.477 3.155 20 0 DGADMP [NH3+]CCCCCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001217930960 1094519669 /nfs/dbraw/zinc/51/96/69/1094519669.db2.gz RDNYQSPFZSRDMT-HSALFYBXSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1cccc(C[NH3+])c1 ZINC001217968228 1094533998 /nfs/dbraw/zinc/53/39/98/1094533998.db2.gz XTVPXQVCYZBVCG-OXJNMPFZSA-N 2 1 310.441 3.435 20 0 DGADMP C(C1CCSCC1)[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276768020 1094576278 /nfs/dbraw/zinc/57/62/78/1094576278.db2.gz XVYFPZMWRTTZIV-UHFFFAOYSA-N 2 1 308.535 3.470 20 0 DGADMP C(C1CCSCC1)[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276768020 1094576284 /nfs/dbraw/zinc/57/62/84/1094576284.db2.gz XVYFPZMWRTTZIV-UHFFFAOYSA-N 2 1 308.535 3.470 20 0 DGADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586246 1094585626 /nfs/dbraw/zinc/58/56/26/1094585626.db2.gz ZJZMKRPJHFHWIS-JKSUJKDBSA-N 2 1 322.497 3.070 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCOCC1 ZINC001170831409 1094608731 /nfs/dbraw/zinc/60/87/31/1094608731.db2.gz ONUYLZQKSJJMEP-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOCC1 ZINC001170831409 1094608739 /nfs/dbraw/zinc/60/87/39/1094608739.db2.gz ONUYLZQKSJJMEP-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOCC1 ZINC001170831409 1094608744 /nfs/dbraw/zinc/60/87/44/1094608744.db2.gz ONUYLZQKSJJMEP-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CCC[NH2+]C1 ZINC001336286210 1094615682 /nfs/dbraw/zinc/61/56/82/1094615682.db2.gz OYMAWEVGDIPNCC-KXBFYZLASA-N 2 1 312.461 3.132 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001218294355 1094700619 /nfs/dbraw/zinc/70/06/19/1094700619.db2.gz JZSXTLZBAIKGQM-QMTMVMCOSA-N 2 1 300.446 3.177 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC001336739698 1094716475 /nfs/dbraw/zinc/71/64/75/1094716475.db2.gz QIEZRAPWIZWMLB-FQEVSTJZSA-N 2 1 312.457 3.350 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](Oc2ccc3c(c2)C(C)(C)C[NH2+]CC3)C1 ZINC001218348419 1094729699 /nfs/dbraw/zinc/72/96/99/1094729699.db2.gz PMUXGJMDVCAKDM-GOSISDBHSA-N 2 1 316.489 3.362 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246082596 1095000053 /nfs/dbraw/zinc/00/00/53/1095000053.db2.gz XVKBXTDHSHIPKA-HUBLWGQQSA-N 2 1 311.267 3.110 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000313718813 1095015717 /nfs/dbraw/zinc/01/57/17/1095015717.db2.gz VEBHSLVPWLBHMD-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000313718813 1095015731 /nfs/dbraw/zinc/01/57/31/1095015731.db2.gz VEBHSLVPWLBHMD-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001220298566 1095079049 /nfs/dbraw/zinc/07/90/49/1095079049.db2.gz QETPCWANJACVAR-OTMARIDSSA-N 2 1 315.461 3.068 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246187265 1095085300 /nfs/dbraw/zinc/08/53/00/1095085300.db2.gz FNQZQARYBQFFOH-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000193631548 1095101670 /nfs/dbraw/zinc/10/16/70/1095101670.db2.gz MRFGTNMSDSIKNB-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000193631548 1095101683 /nfs/dbraw/zinc/10/16/83/1095101683.db2.gz MRFGTNMSDSIKNB-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000193631548 1095101692 /nfs/dbraw/zinc/10/16/92/1095101692.db2.gz MRFGTNMSDSIKNB-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP CCc1noc(C2CCC([NH2+][C@@H]3CCCC[C@H]3[NH+](C)C)CC2)n1 ZINC001337980090 1095154968 /nfs/dbraw/zinc/15/49/68/1095154968.db2.gz DMOJZGPQFMHEHQ-QDIHITRGSA-N 2 1 320.481 3.121 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000316487618 1095175426 /nfs/dbraw/zinc/17/54/26/1095175426.db2.gz XOAAQNKIRHLRPY-INIZCTEOSA-N 2 1 302.462 3.220 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055399 1095210493 /nfs/dbraw/zinc/21/04/93/1095210493.db2.gz HCROKJBQHOTCJA-CRAIPNDOSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055399 1095210503 /nfs/dbraw/zinc/21/05/03/1095210503.db2.gz HCROKJBQHOTCJA-CRAIPNDOSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055399 1095210510 /nfs/dbraw/zinc/21/05/10/1095210510.db2.gz HCROKJBQHOTCJA-CRAIPNDOSA-N 2 1 304.865 3.225 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171072584 1095259930 /nfs/dbraw/zinc/25/99/30/1095259930.db2.gz KBPMUCPRXSNPER-GXFFZTMASA-N 2 1 301.261 3.377 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001137024417 1095291552 /nfs/dbraw/zinc/29/15/52/1095291552.db2.gz XYFDAYWNOKCFJG-UHFFFAOYSA-N 2 1 323.440 3.159 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC001137030545 1095292334 /nfs/dbraw/zinc/29/23/34/1095292334.db2.gz ARXOAAXQKOAAGW-UHFFFAOYSA-N 2 1 302.462 3.413 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC001137030545 1095292341 /nfs/dbraw/zinc/29/23/41/1095292341.db2.gz ARXOAAXQKOAAGW-UHFFFAOYSA-N 2 1 302.462 3.413 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC001338492449 1095320402 /nfs/dbraw/zinc/32/04/02/1095320402.db2.gz UBCRQXLZWPMQGR-BBRMVZONSA-N 2 1 310.869 3.083 20 0 DGADMP COC(=[NH2+])c1cccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1 ZINC001171100658 1095363652 /nfs/dbraw/zinc/36/36/52/1095363652.db2.gz WYNSMBOZBOSIQY-AWEZNQCLSA-N 2 1 319.408 3.418 20 0 DGADMP C(C[NH+]1CCCCC1)C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222109631 1095436422 /nfs/dbraw/zinc/43/64/22/1095436422.db2.gz MFUBECALYDSGNC-UHFFFAOYSA-N 3 1 321.553 3.498 20 0 DGADMP COc1ccc(CC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222154457 1095460569 /nfs/dbraw/zinc/46/05/69/1095460569.db2.gz MXHBDXWFFFYMBM-FQEVSTJZSA-N 2 1 316.489 3.484 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccnc12 ZINC001222153882 1095461239 /nfs/dbraw/zinc/46/12/39/1095461239.db2.gz CAALGUFHXOLTBU-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccnc12 ZINC001222153882 1095461245 /nfs/dbraw/zinc/46/12/45/1095461245.db2.gz CAALGUFHXOLTBU-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154892 1095463333 /nfs/dbraw/zinc/46/33/33/1095463333.db2.gz SKSKESFVKMNLKA-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154892 1095463336 /nfs/dbraw/zinc/46/33/36/1095463336.db2.gz SKSKESFVKMNLKA-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnc2[nH]1 ZINC001222160306 1095466805 /nfs/dbraw/zinc/46/68/05/1095466805.db2.gz FCEASNYNZRQHQD-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(C)n1 ZINC001222166700 1095470652 /nfs/dbraw/zinc/47/06/52/1095470652.db2.gz CELHEMKOEWXAGQ-IBGZPJMESA-N 2 1 301.478 3.444 20 0 DGADMP c1[nH]c2cccnc2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167375 1095473850 /nfs/dbraw/zinc/47/38/50/1095473850.db2.gz LCVHNNVEJRBNMF-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1cc2n(c1C[N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)CCC2 ZINC001222171375 1095476559 /nfs/dbraw/zinc/47/65/59/1095476559.db2.gz APFRMFIYJPTQSH-IBGZPJMESA-N 2 1 301.478 3.180 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1NCC2 ZINC001222172669 1095478885 /nfs/dbraw/zinc/47/88/85/1095478885.db2.gz MMTRZCLYKLTIIL-HXUWFJFHSA-N 2 1 313.489 3.400 20 0 DGADMP Cc1cnc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(C)c1 ZINC001222173326 1095479079 /nfs/dbraw/zinc/47/90/79/1095479079.db2.gz TVELESGPHIQFMR-LJQANCHMSA-N 2 1 301.478 3.444 20 0 DGADMP COc1cc(Cl)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Cl)c1 ZINC001222203619 1095491575 /nfs/dbraw/zinc/49/15/75/1095491575.db2.gz KDICPWZLAMWSHA-UHFFFAOYSA-N 2 1 315.244 3.187 20 0 DGADMP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237015 1095505029 /nfs/dbraw/zinc/50/50/29/1095505029.db2.gz DCRIKKDEONCSJY-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237015 1095505034 /nfs/dbraw/zinc/50/50/34/1095505034.db2.gz DCRIKKDEONCSJY-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP c1ccc(COCCCC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237226 1095506479 /nfs/dbraw/zinc/50/64/79/1095506479.db2.gz GHMUOQZXFVFWOU-IBGZPJMESA-N 2 1 302.462 3.201 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC001116293150 1095507855 /nfs/dbraw/zinc/50/78/55/1095507855.db2.gz KNBNUCJHOWYCDM-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP Fc1ccc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265400 1095518410 /nfs/dbraw/zinc/51/84/10/1095518410.db2.gz SVQOFZQZVAAGIG-KRWDZBQOSA-N 2 1 310.844 3.487 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265400 1095518424 /nfs/dbraw/zinc/51/84/24/1095518424.db2.gz SVQOFZQZVAAGIG-KRWDZBQOSA-N 2 1 310.844 3.487 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2[nH]ccc21 ZINC001222277141 1095525496 /nfs/dbraw/zinc/52/54/96/1095525496.db2.gz KRWLIJAYGRXTBF-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP c1cc2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)nc2[nH]1 ZINC001144177742 1095542845 /nfs/dbraw/zinc/54/28/45/1095542845.db2.gz ZOOJWANPQVKALM-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP c1cc2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)nc2[nH]1 ZINC001144177742 1095542855 /nfs/dbraw/zinc/54/28/55/1095542855.db2.gz ZOOJWANPQVKALM-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316483 1095547941 /nfs/dbraw/zinc/54/79/41/1095547941.db2.gz WUBUFADYYBICFM-IBGZPJMESA-N 2 1 318.461 3.202 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171148527 1095549485 /nfs/dbraw/zinc/54/94/85/1095549485.db2.gz POQUGRYEHDQMMK-ZWNOBZJWSA-N 2 1 301.261 3.377 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N2CCCC2)[C@H](C)C1 ZINC001116445545 1095556473 /nfs/dbraw/zinc/55/64/73/1095556473.db2.gz UHSDPBQKSSEWAI-IEBWSBKVSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N2CCCC2)[C@H](C)C1 ZINC001116445545 1095556483 /nfs/dbraw/zinc/55/64/83/1095556483.db2.gz UHSDPBQKSSEWAI-IEBWSBKVSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N2CCCC2)[C@H](C)C1 ZINC001116445545 1095556494 /nfs/dbraw/zinc/55/64/94/1095556494.db2.gz UHSDPBQKSSEWAI-IEBWSBKVSA-N 2 1 315.505 3.449 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116471915 1095569199 /nfs/dbraw/zinc/56/91/99/1095569199.db2.gz LMOSNAIPFJTFPQ-WMLDXEAASA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116471915 1095569206 /nfs/dbraw/zinc/56/92/06/1095569206.db2.gz LMOSNAIPFJTFPQ-WMLDXEAASA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001116471915 1095569211 /nfs/dbraw/zinc/56/92/11/1095569211.db2.gz LMOSNAIPFJTFPQ-WMLDXEAASA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001116471915 1095569221 /nfs/dbraw/zinc/56/92/21/1095569221.db2.gz LMOSNAIPFJTFPQ-WMLDXEAASA-N 2 1 321.896 3.322 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222402053 1095596337 /nfs/dbraw/zinc/59/63/37/1095596337.db2.gz XJODLSMWASUMSD-UHFFFAOYSA-N 2 1 316.489 3.055 20 0 DGADMP CCCCc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222407779 1095600644 /nfs/dbraw/zinc/60/06/44/1095600644.db2.gz NDQSWPJUXPKMSV-UHFFFAOYSA-N 2 1 316.489 3.231 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC1CC[NH+](C)CC1 ZINC001222498478 1095640998 /nfs/dbraw/zinc/64/09/98/1095640998.db2.gz MHZAOZRFMNEOIN-LPHOPBHVSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+]1CCC(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001222509675 1095644812 /nfs/dbraw/zinc/64/48/12/1095644812.db2.gz QZJRKSLTJYWAEF-MISYRCLQSA-N 2 1 314.473 3.008 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144414330 1095647556 /nfs/dbraw/zinc/64/75/56/1095647556.db2.gz BLAUUEZETWGEMQ-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144414330 1095647562 /nfs/dbraw/zinc/64/75/62/1095647562.db2.gz BLAUUEZETWGEMQ-UHFFFAOYSA-N 2 1 306.841 3.132 20 0 DGADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2CC2CC2)cc1 ZINC001222576139 1095674072 /nfs/dbraw/zinc/67/40/72/1095674072.db2.gz QRKFWGLYCCVORF-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP Fc1cccc(CC[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595973 1095683257 /nfs/dbraw/zinc/68/32/57/1095683257.db2.gz MZLBVWQQGZHWEH-LJQANCHMSA-N 2 1 310.416 3.057 20 0 DGADMP Cc1c(F)cccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595776 1095683407 /nfs/dbraw/zinc/68/34/07/1095683407.db2.gz IZLMQOKSBDBCCC-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595776 1095683411 /nfs/dbraw/zinc/68/34/11/1095683411.db2.gz IZLMQOKSBDBCCC-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001116880586 1095689361 /nfs/dbraw/zinc/68/93/61/1095689361.db2.gz LZXXTKJAMSBEDY-QZTJIDSGSA-N 2 1 302.462 3.017 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900825 1095695015 /nfs/dbraw/zinc/69/50/15/1095695015.db2.gz SWTLHNXZCIQKFT-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900825 1095695019 /nfs/dbraw/zinc/69/50/19/1095695019.db2.gz SWTLHNXZCIQKFT-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP Fc1ccccc1-c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c[nH]1 ZINC001222630031 1095700616 /nfs/dbraw/zinc/70/06/16/1095700616.db2.gz XBVKXADZLFKEHE-IYBDPMFKSA-N 2 1 313.420 3.252 20 0 DGADMP Fc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222624405 1095701514 /nfs/dbraw/zinc/70/15/14/1095701514.db2.gz ZUCRVVBSKUXDKD-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2cncnc2)c1 ZINC001137768949 1095736409 /nfs/dbraw/zinc/73/64/09/1095736409.db2.gz ILNAGAHTKNDUKH-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2cncnc2)c1 ZINC001137768949 1095736412 /nfs/dbraw/zinc/73/64/12/1095736412.db2.gz ILNAGAHTKNDUKH-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP C[C@H]1CN(Cc2[nH+]cn3ccccc23)CC[N@@H+]1C1CCCCC1 ZINC001144630706 1095742130 /nfs/dbraw/zinc/74/21/30/1095742130.db2.gz QOOASBZIGXLOIJ-INIZCTEOSA-N 2 1 312.461 3.173 20 0 DGADMP C[C@H]1CN(Cc2[nH+]cn3ccccc23)CC[N@H+]1C1CCCCC1 ZINC001144630706 1095742143 /nfs/dbraw/zinc/74/21/43/1095742143.db2.gz QOOASBZIGXLOIJ-INIZCTEOSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC001246581673 1095760207 /nfs/dbraw/zinc/76/02/07/1095760207.db2.gz ZTFFXSJGFAZBKG-UHFFFAOYSA-N 2 1 323.278 3.338 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144727164 1095782688 /nfs/dbraw/zinc/78/26/88/1095782688.db2.gz TYEKNHAKCJTELI-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP c1nc2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2s1 ZINC001144732943 1095792643 /nfs/dbraw/zinc/79/26/43/1095792643.db2.gz RRYKCVBMAFGPKX-UHFFFAOYSA-N 2 1 310.426 3.014 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144744304 1095805583 /nfs/dbraw/zinc/80/55/83/1095805583.db2.gz PDWSXWFEBBBOTL-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001276872381 1095906241 /nfs/dbraw/zinc/90/62/41/1095906241.db2.gz ISABOZMKZHFGIT-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001276872381 1095906247 /nfs/dbraw/zinc/90/62/47/1095906247.db2.gz ISABOZMKZHFGIT-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001276872381 1095906260 /nfs/dbraw/zinc/90/62/60/1095906260.db2.gz ISABOZMKZHFGIT-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001118181138 1095951054 /nfs/dbraw/zinc/95/10/54/1095951054.db2.gz SEWDCWLMFANLMY-UHFFFAOYSA-N 2 1 307.507 3.307 20 0 DGADMP Cc1ccc(C[N@H+]2CCCN(c3nc(C)nc(C)c3C)CC2)cc1 ZINC001340424086 1095951869 /nfs/dbraw/zinc/95/18/69/1095951869.db2.gz IZFPBSMQXFOFEU-UHFFFAOYSA-N 2 1 324.472 3.423 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001118411142 1096001157 /nfs/dbraw/zinc/00/11/57/1096001157.db2.gz RIIYHGMDDBTHOE-HNNXBMFYSA-N 2 1 302.466 3.443 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001341042926 1096104376 /nfs/dbraw/zinc/10/43/76/1096104376.db2.gz CVPDGKHAIUJNJH-SJORKVTESA-N 2 1 301.478 3.441 20 0 DGADMP Cc1cc(C)nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001341042926 1096104378 /nfs/dbraw/zinc/10/43/78/1096104378.db2.gz CVPDGKHAIUJNJH-SJORKVTESA-N 2 1 301.478 3.441 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001171287037 1096114873 /nfs/dbraw/zinc/11/48/73/1096114873.db2.gz BYVJARCTELZMTA-ZIAGYGMSSA-N 2 1 322.880 3.137 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)CC2 ZINC001171288171 1096120375 /nfs/dbraw/zinc/12/03/75/1096120375.db2.gz JFHCZGHRZPUPJU-ZIAGYGMSSA-N 2 1 322.880 3.280 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC1CC[NH+](C)CC1 ZINC001224451870 1096216702 /nfs/dbraw/zinc/21/67/02/1096216702.db2.gz BRCYOJZXEBVULC-XLIONFOSSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001224704575 1096268161 /nfs/dbraw/zinc/26/81/61/1096268161.db2.gz ARRQWGIHHITJDN-IRXDYDNUSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224704575 1096268164 /nfs/dbraw/zinc/26/81/64/1096268164.db2.gz ARRQWGIHHITJDN-IRXDYDNUSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224704575 1096268167 /nfs/dbraw/zinc/26/81/67/1096268167.db2.gz ARRQWGIHHITJDN-IRXDYDNUSA-N 2 1 322.880 3.415 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001224707658 1096269404 /nfs/dbraw/zinc/26/94/04/1096269404.db2.gz SFOQUWGHAMLWGG-ROUUACIJSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707658 1096269410 /nfs/dbraw/zinc/26/94/10/1096269410.db2.gz SFOQUWGHAMLWGG-ROUUACIJSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707658 1096269415 /nfs/dbraw/zinc/26/94/15/1096269415.db2.gz SFOQUWGHAMLWGG-ROUUACIJSA-N 2 1 322.880 3.415 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224749689 1096278144 /nfs/dbraw/zinc/27/81/44/1096278144.db2.gz LUUUDHGOFPJJKF-ZWKOTPCHSA-N 2 1 317.477 3.110 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001224929053 1096315166 /nfs/dbraw/zinc/31/51/66/1096315166.db2.gz ZDLDIOUPVRPENO-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCC[NH+](C)C ZINC001224991860 1096330569 /nfs/dbraw/zinc/33/05/69/1096330569.db2.gz CVFXMDUQGOSSTO-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)CCCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001225000231 1096332403 /nfs/dbraw/zinc/33/24/03/1096332403.db2.gz FSZJZMAMTOZTDQ-HSALFYBXSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379341 1096609209 /nfs/dbraw/zinc/60/92/09/1096609209.db2.gz DAQRXJJJCQUGNC-MRXNPFEDSA-N 2 1 308.416 3.240 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379085 1096609381 /nfs/dbraw/zinc/60/93/81/1096609381.db2.gz BUHHPKLZFQFWMV-MRXNPFEDSA-N 2 1 308.416 3.096 20 0 DGADMP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554852 1096922269 /nfs/dbraw/zinc/92/22/69/1096922269.db2.gz PYTOGWCBLYGFEA-HKUYNNGSSA-N 2 1 317.477 3.189 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3c2OCO3)CC1(C)C ZINC001171622903 1096936436 /nfs/dbraw/zinc/93/64/36/1096936436.db2.gz BYFLXVDEXQWBBO-UHFFFAOYSA-N 2 1 304.434 3.156 20 0 DGADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645064 1096939551 /nfs/dbraw/zinc/93/95/51/1096939551.db2.gz AMPZDAGCWDZQNX-UZVIJOLCSA-N 2 1 309.251 3.165 20 0 DGADMP C[NH+]1C(C)(C)CC(N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1(C)C ZINC001171634525 1096948697 /nfs/dbraw/zinc/94/86/97/1096948697.db2.gz DFNWCQFFORCTFS-UHFFFAOYSA-N 2 1 319.537 3.056 20 0 DGADMP C[C@H]1C[C@@H](n2ccc3cc(C[NH3+])cnc32)C[N@H+]1Cc1ccccc1 ZINC001171725433 1096954202 /nfs/dbraw/zinc/95/42/02/1096954202.db2.gz LVGPLMGVQZTJRB-HNAYVOBHSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](Nc2ccc(CC[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171727270 1096955511 /nfs/dbraw/zinc/95/55/11/1096955511.db2.gz UHHJTBKAQOJGMF-UZLBHIALSA-N 2 1 309.457 3.263 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cccc(F)c2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727567 1096955736 /nfs/dbraw/zinc/95/57/36/1096955736.db2.gz WOVOGKDPZZNLEB-GDBMZVCRSA-N 2 1 313.420 3.359 20 0 DGADMP C[C@H]1C[C@@H](n2cnc3ccc(C[NH3+])cc32)C[N@H+]1Cc1ccccc1 ZINC001171729932 1096956740 /nfs/dbraw/zinc/95/67/40/1096956740.db2.gz VKQAUBZANRSNIW-MAUKXSAKSA-N 2 1 320.440 3.331 20 0 DGADMP C[NH2+]Cc1c(C)nn([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171760407 1096963752 /nfs/dbraw/zinc/96/37/52/1096963752.db2.gz VSLSTIYDKZBKOF-KSSFIOAISA-N 2 1 312.461 3.055 20 0 DGADMP C[NH2+]Cc1cccc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171759386 1096964400 /nfs/dbraw/zinc/96/44/00/1096964400.db2.gz JFRBBKZNVKSGON-JXFKEZNVSA-N 2 1 309.457 3.481 20 0 DGADMP CC[N@H+]1CCN([C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766466 1096966361 /nfs/dbraw/zinc/96/63/61/1096966361.db2.gz DTYQSDLVOXUHCW-HKUYNNGSSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766466 1096966365 /nfs/dbraw/zinc/96/63/65/1096966365.db2.gz DTYQSDLVOXUHCW-HKUYNNGSSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001171766466 1096966368 /nfs/dbraw/zinc/96/63/68/1096966368.db2.gz DTYQSDLVOXUHCW-HKUYNNGSSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](N2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171764743 1096966605 /nfs/dbraw/zinc/96/66/05/1096966605.db2.gz UTTMWQFLONOQLL-PKOBYXMFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171764741 1096966797 /nfs/dbraw/zinc/96/67/97/1096966797.db2.gz UTTMWQFLONOQLL-IEBWSBKVSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)[N@H+]1CCN([C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001171767978 1096966973 /nfs/dbraw/zinc/96/69/73/1096966973.db2.gz QPJTWRJYYYWLEN-HBFSDRIKSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H](n2cc3ccc(C[NH3+])cc3n2)C[N@H+]1Cc1ccccc1 ZINC001171734596 1096970753 /nfs/dbraw/zinc/97/07/53/1096970753.db2.gz OUYNNKIXUOETCM-BEFAXECRSA-N 2 1 320.440 3.331 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171780833 1096975807 /nfs/dbraw/zinc/97/58/07/1096975807.db2.gz RVFULOHMNFIZAL-XFIJJGBISA-N 2 1 322.427 3.013 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171780833 1096975812 /nfs/dbraw/zinc/97/58/12/1096975812.db2.gz RVFULOHMNFIZAL-XFIJJGBISA-N 2 1 322.427 3.013 20 0 DGADMP C[N@H+](Cc1cccnc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204075893 1096993185 /nfs/dbraw/zinc/99/31/85/1096993185.db2.gz UIAPAXPVZVJJBM-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227867929 1097004089 /nfs/dbraw/zinc/00/40/89/1097004089.db2.gz MUSNWATVZFQYLD-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(C)(C(=O)OCC)CC1 ZINC001171957444 1097004307 /nfs/dbraw/zinc/00/43/07/1097004307.db2.gz PIEIVDSWHPMWRZ-UHFFFAOYSA-N 2 1 312.498 3.162 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963728 1097006954 /nfs/dbraw/zinc/00/69/54/1097006954.db2.gz IXNPMPCYDJXPTK-IBGZPJMESA-N 3 1 317.521 3.361 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171963728 1097006959 /nfs/dbraw/zinc/00/69/59/1097006959.db2.gz IXNPMPCYDJXPTK-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171928479 1097010244 /nfs/dbraw/zinc/01/02/44/1097010244.db2.gz IRFFMKRQSCIOGQ-UHFFFAOYSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001171948261 1097015112 /nfs/dbraw/zinc/01/51/12/1097015112.db2.gz BZHSMJOXICNUOV-XNGIKWSVSA-N 2 1 324.509 3.207 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171970114 1097019869 /nfs/dbraw/zinc/01/98/69/1097019869.db2.gz YPKUXFOBBGYUHE-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969816 1097020141 /nfs/dbraw/zinc/02/01/41/1097020141.db2.gz XHVFZCPIKFPWLV-KRWDZBQOSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)N(CC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970059 1097020491 /nfs/dbraw/zinc/02/04/91/1097020491.db2.gz XVEBYXFXKFCRBP-GOSISDBHSA-N 2 1 303.494 3.099 20 0 DGADMP C[NH+](C)[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974915 1097023021 /nfs/dbraw/zinc/02/30/21/1097023021.db2.gz AZYRLNQTLJFFOF-MOPGFXCFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@]1(CO)CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977447 1097025499 /nfs/dbraw/zinc/02/54/99/1097025499.db2.gz RISWKYRSXIFGBF-UYAOXDASSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(CO)CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977447 1097025504 /nfs/dbraw/zinc/02/55/04/1097025504.db2.gz RISWKYRSXIFGBF-UYAOXDASSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(CO)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977447 1097025510 /nfs/dbraw/zinc/02/55/10/1097025510.db2.gz RISWKYRSXIFGBF-UYAOXDASSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@]1(CO)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977447 1097025514 /nfs/dbraw/zinc/02/55/14/1097025514.db2.gz RISWKYRSXIFGBF-UYAOXDASSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171984335 1097027628 /nfs/dbraw/zinc/02/76/28/1097027628.db2.gz UXFZQEFFZVTYER-KURKYZTESA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCOC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171984335 1097027633 /nfs/dbraw/zinc/02/76/33/1097027633.db2.gz UXFZQEFFZVTYER-KURKYZTESA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171980377 1097027855 /nfs/dbraw/zinc/02/78/55/1097027855.db2.gz UXFZQEFFZVTYER-BZSNNMDCSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171980377 1097027861 /nfs/dbraw/zinc/02/78/61/1097027861.db2.gz UXFZQEFFZVTYER-BZSNNMDCSA-N 2 1 320.452 3.146 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206154423 1097035224 /nfs/dbraw/zinc/03/52/24/1097035224.db2.gz IYWOHXMYPKJAFT-KBPBESRZSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206154423 1097035226 /nfs/dbraw/zinc/03/52/26/1097035226.db2.gz IYWOHXMYPKJAFT-KBPBESRZSA-N 2 1 304.331 3.009 20 0 DGADMP OC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172074083 1097038025 /nfs/dbraw/zinc/03/80/25/1097038025.db2.gz UDFLSQIGLWECFD-LDLYASANSA-N 2 1 314.473 3.077 20 0 DGADMP CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072752 1097038692 /nfs/dbraw/zinc/03/86/92/1097038692.db2.gz MVZBTDLJLPRQIS-LWYYNNOASA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077485 1097038824 /nfs/dbraw/zinc/03/88/24/1097038824.db2.gz UJGHMOPXYJJKTI-RSPOEFSDSA-N 2 1 315.505 3.099 20 0 DGADMP COCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080703 1097039671 /nfs/dbraw/zinc/03/96/71/1097039671.db2.gz WDIDXRUNKZQDKF-REPLKXPHSA-N 2 1 302.462 3.150 20 0 DGADMP COCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080703 1097039677 /nfs/dbraw/zinc/03/96/77/1097039677.db2.gz WDIDXRUNKZQDKF-REPLKXPHSA-N 2 1 302.462 3.150 20 0 DGADMP COCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080703 1097039683 /nfs/dbraw/zinc/03/96/83/1097039683.db2.gz WDIDXRUNKZQDKF-REPLKXPHSA-N 2 1 302.462 3.150 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@@H]1F ZINC001206156931 1097039710 /nfs/dbraw/zinc/03/97/10/1097039710.db2.gz UHZNBTPNRZJVAQ-KBPBESRZSA-N 2 1 305.224 3.297 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)CC[C@@H]1F ZINC001206156931 1097039716 /nfs/dbraw/zinc/03/97/16/1097039716.db2.gz UHZNBTPNRZJVAQ-KBPBESRZSA-N 2 1 305.224 3.297 20 0 DGADMP Cc1cc(C[NH3+])nn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061343 1097042216 /nfs/dbraw/zinc/04/22/16/1097042216.db2.gz GKMMHEULEOYSNR-PMOLBWCYSA-N 2 1 324.472 3.408 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100919 1097042335 /nfs/dbraw/zinc/04/23/35/1097042335.db2.gz VBEWDIUZUAISJF-OKYOBFRVSA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100919 1097042341 /nfs/dbraw/zinc/04/23/41/1097042341.db2.gz VBEWDIUZUAISJF-OKYOBFRVSA-N 2 1 314.473 3.157 20 0 DGADMP C[C@@]1(O)C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065749 1097044090 /nfs/dbraw/zinc/04/40/90/1097044090.db2.gz QFEIKTRZMHWRRR-CCQCEHTISA-N 2 1 314.473 3.075 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CCOCC2)C3)cc1 ZINC001172066836 1097044372 /nfs/dbraw/zinc/04/43/72/1097044372.db2.gz KKKNKEBVVHXRAC-ACDBMABISA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@]1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](O)C1 ZINC001172064621 1097044497 /nfs/dbraw/zinc/04/44/97/1097044497.db2.gz IJNXKONKEJMGCO-URWLHXRESA-N 2 1 314.473 3.075 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)CCC(=O)c1cccs1)C2 ZINC001172127740 1097048220 /nfs/dbraw/zinc/04/82/20/1097048220.db2.gz JVPWHGUYFMUUAE-QDMKHBRRSA-N 2 1 306.475 3.268 20 0 DGADMP CN(CCC(=O)c1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127740 1097048226 /nfs/dbraw/zinc/04/82/26/1097048226.db2.gz JVPWHGUYFMUUAE-QDMKHBRRSA-N 2 1 306.475 3.268 20 0 DGADMP CN(CCC(=O)c1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127740 1097048234 /nfs/dbraw/zinc/04/82/34/1097048234.db2.gz JVPWHGUYFMUUAE-QDMKHBRRSA-N 2 1 306.475 3.268 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C12CCCC2 ZINC001172129891 1097048819 /nfs/dbraw/zinc/04/88/19/1097048819.db2.gz DTCOBVGBWDXXNM-WCXIOVBPSA-N 2 1 304.478 3.225 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3cccc(F)c3)C1)C2 ZINC001172132853 1097050652 /nfs/dbraw/zinc/05/06/52/1097050652.db2.gz OYVXCQHRGLFDFQ-ZMMAXQRCSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3cccc(F)c3)C1)C2 ZINC001172132853 1097050657 /nfs/dbraw/zinc/05/06/57/1097050657.db2.gz OYVXCQHRGLFDFQ-ZMMAXQRCSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3cccc(F)c3)C1)C2 ZINC001172132853 1097050662 /nfs/dbraw/zinc/05/06/62/1097050662.db2.gz OYVXCQHRGLFDFQ-ZMMAXQRCSA-N 2 1 318.436 3.294 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157575 1097050784 /nfs/dbraw/zinc/05/07/84/1097050784.db2.gz ZQIITDGWUGRGLP-ZIAGYGMSSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)CC[C@H]1F ZINC001206157575 1097050790 /nfs/dbraw/zinc/05/07/90/1097050790.db2.gz ZQIITDGWUGRGLP-ZIAGYGMSSA-N 2 1 304.331 3.009 20 0 DGADMP COc1ccc(O[C@@H](C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172104079 1097053119 /nfs/dbraw/zinc/05/31/19/1097053119.db2.gz ZQOYGUBPNGDYRF-LUKYLMHMSA-N 2 1 318.461 3.067 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)C2 ZINC001172103089 1097053316 /nfs/dbraw/zinc/05/33/16/1097053316.db2.gz RNUXNSIHTMASNH-QDMKHBRRSA-N 2 1 310.388 3.393 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(O)cc3)CC1)C2 ZINC001172108556 1097055051 /nfs/dbraw/zinc/05/50/51/1097055051.db2.gz BIEWRRITUUOWFP-BJWYYQGGSA-N 2 1 300.446 3.072 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(O)cc3)CC1)C2 ZINC001172108556 1097055056 /nfs/dbraw/zinc/05/50/56/1097055056.db2.gz BIEWRRITUUOWFP-BJWYYQGGSA-N 2 1 300.446 3.072 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110541 1097057236 /nfs/dbraw/zinc/05/72/36/1097057236.db2.gz KDLPVQZALOLQTJ-NESYVKMTSA-N 2 1 305.510 3.126 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110541 1097057240 /nfs/dbraw/zinc/05/72/40/1097057240.db2.gz KDLPVQZALOLQTJ-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110541 1097057244 /nfs/dbraw/zinc/05/72/44/1097057244.db2.gz KDLPVQZALOLQTJ-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110541 1097057248 /nfs/dbraw/zinc/05/72/48/1097057248.db2.gz KDLPVQZALOLQTJ-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110541 1097057254 /nfs/dbraw/zinc/05/72/54/1097057254.db2.gz KDLPVQZALOLQTJ-NESYVKMTSA-N 3 1 305.510 3.126 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172111562 1097057517 /nfs/dbraw/zinc/05/75/17/1097057517.db2.gz VJQZHUWYTUQXJJ-ZQEOTTOMSA-N 2 1 315.461 3.311 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172111562 1097057523 /nfs/dbraw/zinc/05/75/23/1097057523.db2.gz VJQZHUWYTUQXJJ-ZQEOTTOMSA-N 2 1 315.461 3.311 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCO2 ZINC001172110587 1097057708 /nfs/dbraw/zinc/05/77/08/1097057708.db2.gz OVPLQPJQFZBYPX-NKGKWGDASA-N 2 1 300.446 3.287 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCO2 ZINC001172110587 1097057712 /nfs/dbraw/zinc/05/77/12/1097057712.db2.gz OVPLQPJQFZBYPX-NKGKWGDASA-N 2 1 300.446 3.287 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(-c3ccc(C[NH3+])cc3)c1)C2 ZINC001172112938 1097058459 /nfs/dbraw/zinc/05/84/59/1097058459.db2.gz HBPNYOLVOBZFSX-BCDXTJNWSA-N 2 1 310.445 3.197 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001172113395 1097058581 /nfs/dbraw/zinc/05/85/81/1097058581.db2.gz CRHZYCIMOVYCKU-RPCVNMKUSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001172113395 1097058589 /nfs/dbraw/zinc/05/85/89/1097058589.db2.gz CRHZYCIMOVYCKU-RPCVNMKUSA-N 2 1 322.880 3.367 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccn1)C2 ZINC001172112104 1097058668 /nfs/dbraw/zinc/05/86/68/1097058668.db2.gz TTZSFYBZKBNPLR-YOWGUQMCSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccn1)C2 ZINC001172112104 1097058670 /nfs/dbraw/zinc/05/86/70/1097058670.db2.gz TTZSFYBZKBNPLR-YOWGUQMCSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(CC3CC3)CCOCC1)C2 ZINC001172112525 1097060146 /nfs/dbraw/zinc/06/01/46/1097060146.db2.gz WXTFWDLYHFFVBP-BCDXTJNWSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115683 1097060806 /nfs/dbraw/zinc/06/08/06/1097060806.db2.gz YTONGZLEYBBSBS-FJIDUMEYSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115683 1097060812 /nfs/dbraw/zinc/06/08/12/1097060812.db2.gz YTONGZLEYBBSBS-FJIDUMEYSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3cc(F)ccc31)C2 ZINC001172114770 1097062500 /nfs/dbraw/zinc/06/25/00/1097062500.db2.gz PZPCHJKUTWCHRL-PNBKFKSVSA-N 2 1 304.409 3.254 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172120413 1097062940 /nfs/dbraw/zinc/06/29/40/1097062940.db2.gz FJMHEQBLMKKNMR-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172120413 1097062944 /nfs/dbraw/zinc/06/29/44/1097062944.db2.gz FJMHEQBLMKKNMR-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172120413 1097062949 /nfs/dbraw/zinc/06/29/49/1097062949.db2.gz FJMHEQBLMKKNMR-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172119198 1097063221 /nfs/dbraw/zinc/06/32/21/1097063221.db2.gz VVRNXWOEYMFDAL-MHORFTMASA-N 2 1 322.493 3.103 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172119198 1097063227 /nfs/dbraw/zinc/06/32/27/1097063227.db2.gz VVRNXWOEYMFDAL-MHORFTMASA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121012 1097064384 /nfs/dbraw/zinc/06/43/84/1097064384.db2.gz NYINNHBZZLLUET-SFNKJDCFSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121012 1097064390 /nfs/dbraw/zinc/06/43/90/1097064390.db2.gz NYINNHBZZLLUET-SFNKJDCFSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121012 1097064395 /nfs/dbraw/zinc/06/43/95/1097064395.db2.gz NYINNHBZZLLUET-SFNKJDCFSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121012 1097064400 /nfs/dbraw/zinc/06/44/00/1097064400.db2.gz NYINNHBZZLLUET-SFNKJDCFSA-N 2 1 322.493 3.057 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3c3c1CC[NH2+]C3)C2 ZINC001172121141 1097064774 /nfs/dbraw/zinc/06/47/74/1097064774.db2.gz IDOLRUAUVUZVDN-MUJYYYPQSA-N 2 1 309.457 3.475 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117811 1097064881 /nfs/dbraw/zinc/06/48/81/1097064881.db2.gz NGYLHXRUVUNIMG-SABGJMROSA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117811 1097064886 /nfs/dbraw/zinc/06/48/86/1097064886.db2.gz NGYLHXRUVUNIMG-SABGJMROSA-N 3 1 307.526 3.244 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC001172218383 1097079244 /nfs/dbraw/zinc/07/92/44/1097079244.db2.gz SNXDUUSJNMOVLF-XUBOLADHSA-N 2 1 314.473 3.198 20 0 DGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172220417 1097079519 /nfs/dbraw/zinc/07/95/19/1097079519.db2.gz FLMMKQQEJBVBQL-GOOCMWNKSA-N 2 1 320.864 3.300 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172233027 1097082816 /nfs/dbraw/zinc/08/28/16/1097082816.db2.gz OXEVOTMPFMWTFI-RNINOARNSA-N 2 1 312.457 3.115 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172233027 1097082822 /nfs/dbraw/zinc/08/28/22/1097082822.db2.gz OXEVOTMPFMWTFI-RNINOARNSA-N 2 1 312.457 3.115 20 0 DGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234630 1097084354 /nfs/dbraw/zinc/08/43/54/1097084354.db2.gz HRZCEQNZSGYKHW-ALOPSCKCSA-N 2 1 318.848 3.076 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001172254428 1097092645 /nfs/dbraw/zinc/09/26/45/1097092645.db2.gz LVCZUUIASTVFAR-UHFFFAOYSA-N 2 1 304.478 3.236 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001172254428 1097092649 /nfs/dbraw/zinc/09/26/49/1097092649.db2.gz LVCZUUIASTVFAR-UHFFFAOYSA-N 2 1 304.478 3.236 20 0 DGADMP CC[C@@H](CC(C)C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172402972 1097129897 /nfs/dbraw/zinc/12/98/97/1097129897.db2.gz QLIQGBPTZGPXJB-HNNXBMFYSA-N 2 1 306.498 3.366 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172425900 1097136825 /nfs/dbraw/zinc/13/68/25/1097136825.db2.gz FKLBZTUSLOFIFE-SXLOBPIMSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172433131 1097140168 /nfs/dbraw/zinc/14/01/68/1097140168.db2.gz GMXACRZDPLAFJL-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172628571 1097199918 /nfs/dbraw/zinc/19/99/18/1097199918.db2.gz KLOCFHFTJJIBCP-OWSLCNJRSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172628571 1097199920 /nfs/dbraw/zinc/19/99/20/1097199920.db2.gz KLOCFHFTJJIBCP-OWSLCNJRSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172628571 1097199921 /nfs/dbraw/zinc/19/99/21/1097199921.db2.gz KLOCFHFTJJIBCP-OWSLCNJRSA-N 2 1 322.493 3.057 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3Cc4ccc(Cl)cc4C3)C2)CC1 ZINC001172722470 1097217144 /nfs/dbraw/zinc/21/71/44/1097217144.db2.gz WARPSEVTBRVKLQ-QGZVFWFLSA-N 2 1 304.865 3.225 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001172767672 1097235839 /nfs/dbraw/zinc/23/58/39/1097235839.db2.gz JMANQEKFNLTPAR-WBVHZDCISA-N 2 1 310.482 3.092 20 0 DGADMP Cc1ccc2c(c1)C[C@@H](N1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001172838331 1097256016 /nfs/dbraw/zinc/25/60/16/1097256016.db2.gz NZEOOSXLEYBSBK-LEWJYISDSA-N 2 1 306.453 3.238 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872986 1097271298 /nfs/dbraw/zinc/27/12/98/1097271298.db2.gz QORFAHUTOFPVHM-AEGPPILISA-N 2 1 310.844 3.294 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872986 1097271303 /nfs/dbraw/zinc/27/13/03/1097271303.db2.gz QORFAHUTOFPVHM-AEGPPILISA-N 2 1 310.844 3.294 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872986 1097271310 /nfs/dbraw/zinc/27/13/10/1097271310.db2.gz QORFAHUTOFPVHM-AEGPPILISA-N 2 1 310.844 3.294 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872986 1097271316 /nfs/dbraw/zinc/27/13/16/1097271316.db2.gz QORFAHUTOFPVHM-AEGPPILISA-N 2 1 310.844 3.294 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001172928855 1097284301 /nfs/dbraw/zinc/28/43/01/1097284301.db2.gz MLXDTDFPQSKBEM-CABCVRRESA-N 2 1 306.425 3.033 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001173108607 1097331889 /nfs/dbraw/zinc/33/18/89/1097331889.db2.gz PEBWJPIWBQNCOQ-FOIPXRHGSA-N 2 1 306.494 3.473 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001173108053 1097332027 /nfs/dbraw/zinc/33/20/27/1097332027.db2.gz CUIUUVLYZMHNHR-LWSMDNFKSA-N 3 1 309.542 3.348 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCN(C(C)C)C[C@H]2C)CC1 ZINC001173108053 1097332034 /nfs/dbraw/zinc/33/20/34/1097332034.db2.gz CUIUUVLYZMHNHR-LWSMDNFKSA-N 2 1 309.542 3.348 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC001173108544 1097332084 /nfs/dbraw/zinc/33/20/84/1097332084.db2.gz MPFUEJYEWVZQJW-UHFFFAOYSA-N 2 1 307.526 3.200 20 0 DGADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173113007 1097332832 /nfs/dbraw/zinc/33/28/32/1097332832.db2.gz GPFDSEXNCUCNRA-OTBWCIGPSA-N 2 1 312.498 3.159 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CC(=O)OC)C2CCCC2)CC1 ZINC001173113616 1097332920 /nfs/dbraw/zinc/33/29/20/1097332920.db2.gz XJMNJWBQTBVIKK-UHFFFAOYSA-N 2 1 310.482 3.057 20 0 DGADMP CC[NH+](CC)C1CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC001173112100 1097332961 /nfs/dbraw/zinc/33/29/61/1097332961.db2.gz QFYXIXRJSCLWRA-UHFFFAOYSA-N 2 1 307.526 3.200 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001173128767 1097337738 /nfs/dbraw/zinc/33/77/38/1097337738.db2.gz JPNVXPFXKHTLHA-GDBMZVCRSA-N 2 1 315.486 3.097 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001173128777 1097337745 /nfs/dbraw/zinc/33/77/45/1097337745.db2.gz JPNVXPFXKHTLHA-ZBFHGGJFSA-N 2 1 315.486 3.097 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCc2ncsc2C1 ZINC001173143695 1097346214 /nfs/dbraw/zinc/34/62/14/1097346214.db2.gz OIIWYNHWIKFHQO-XHSDSOJGSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCc2ncsc2C1 ZINC001173143695 1097346221 /nfs/dbraw/zinc/34/62/21/1097346221.db2.gz OIIWYNHWIKFHQO-XHSDSOJGSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCc2ncsc2C1 ZINC001173143695 1097346227 /nfs/dbraw/zinc/34/62/27/1097346227.db2.gz OIIWYNHWIKFHQO-XHSDSOJGSA-N 2 1 319.518 3.339 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173325 1097355161 /nfs/dbraw/zinc/35/51/61/1097355161.db2.gz HZMGRKKUPGXAJX-IHPCNDPISA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173325 1097355165 /nfs/dbraw/zinc/35/51/65/1097355165.db2.gz HZMGRKKUPGXAJX-IHPCNDPISA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173325 1097355169 /nfs/dbraw/zinc/35/51/69/1097355169.db2.gz HZMGRKKUPGXAJX-IHPCNDPISA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+](C)CCc1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001229657770 1097360469 /nfs/dbraw/zinc/36/04/69/1097360469.db2.gz OLFSHOXMTQBRRW-UHFFFAOYSA-N 2 1 310.441 3.054 20 0 DGADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001173278039 1097409684 /nfs/dbraw/zinc/40/96/84/1097409684.db2.gz LOUNONMPTUDKIB-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278039 1097409687 /nfs/dbraw/zinc/40/96/87/1097409687.db2.gz LOUNONMPTUDKIB-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278039 1097409689 /nfs/dbraw/zinc/40/96/89/1097409689.db2.gz LOUNONMPTUDKIB-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284369 1097414128 /nfs/dbraw/zinc/41/41/28/1097414128.db2.gz ZHRSBEPYSMDUAM-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284369 1097414133 /nfs/dbraw/zinc/41/41/33/1097414133.db2.gz ZHRSBEPYSMDUAM-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001173284369 1097414134 /nfs/dbraw/zinc/41/41/34/1097414134.db2.gz ZHRSBEPYSMDUAM-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001173284369 1097414138 /nfs/dbraw/zinc/41/41/38/1097414138.db2.gz ZHRSBEPYSMDUAM-CEXWTWQISA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284371 1097414427 /nfs/dbraw/zinc/41/44/27/1097414427.db2.gz ZHRSBEPYSMDUAM-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284371 1097414429 /nfs/dbraw/zinc/41/44/29/1097414429.db2.gz ZHRSBEPYSMDUAM-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001173284371 1097414432 /nfs/dbraw/zinc/41/44/32/1097414432.db2.gz ZHRSBEPYSMDUAM-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001173284371 1097414434 /nfs/dbraw/zinc/41/44/34/1097414434.db2.gz ZHRSBEPYSMDUAM-QRVBRYPASA-N 2 1 308.510 3.388 20 0 DGADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3ccc(Br)cc32)C1 ZINC001173354024 1097430320 /nfs/dbraw/zinc/43/03/20/1097430320.db2.gz VIQODBFLLBUGQF-CYBMUJFWSA-N 2 1 322.250 3.129 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[NH+](CC)C2)CC1 ZINC001173365980 1097432166 /nfs/dbraw/zinc/43/21/66/1097432166.db2.gz UEKSKVWUSRZEFV-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001173365980 1097432168 /nfs/dbraw/zinc/43/21/68/1097432168.db2.gz UEKSKVWUSRZEFV-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365980 1097432171 /nfs/dbraw/zinc/43/21/71/1097432171.db2.gz UEKSKVWUSRZEFV-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173479442 1097446428 /nfs/dbraw/zinc/44/64/28/1097446428.db2.gz GIQOQYURWYEXMW-ZDUSSCGKSA-N 2 1 308.416 3.273 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632404 1097479783 /nfs/dbraw/zinc/47/97/83/1097479783.db2.gz LYCPYOBBQANIMC-TVFCKZIOSA-N 2 1 324.509 3.336 20 0 DGADMP CC(C)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001204128525 1097488430 /nfs/dbraw/zinc/48/84/30/1097488430.db2.gz KTWANIOEILLDIY-RBUKOAKNSA-N 2 1 304.453 3.467 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCOc1ccccc1F)CC2 ZINC001277499609 1097701509 /nfs/dbraw/zinc/70/15/09/1097701509.db2.gz RZGJMMNVSOCBCM-UHFFFAOYSA-N 2 1 306.425 3.012 20 0 DGADMP CCOc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C ZINC001277526036 1097765801 /nfs/dbraw/zinc/76/58/01/1097765801.db2.gz ZGRJHZXARLXECK-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1C ZINC001277526036 1097765805 /nfs/dbraw/zinc/76/58/05/1097765805.db2.gz ZGRJHZXARLXECK-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1C ZINC001277526036 1097765807 /nfs/dbraw/zinc/76/58/07/1097765807.db2.gz ZGRJHZXARLXECK-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1C ZINC001277526036 1097765811 /nfs/dbraw/zinc/76/58/11/1097765811.db2.gz ZGRJHZXARLXECK-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C ZINC001277526036 1097765814 /nfs/dbraw/zinc/76/58/14/1097765814.db2.gz ZGRJHZXARLXECK-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(F)ccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001231603526 1097789438 /nfs/dbraw/zinc/78/94/38/1097789438.db2.gz KKSYFLWRVYBHEY-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001232014642 1097918034 /nfs/dbraw/zinc/91/80/34/1097918034.db2.gz UKKVAISHBYKPIT-KRWDZBQOSA-N 2 1 311.360 3.355 20 0 DGADMP CN1CCC([N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C2CCCC2)CC1 ZINC001232018149 1097919265 /nfs/dbraw/zinc/91/92/65/1097919265.db2.gz FTPAVNSGWYFQMG-UHFFFAOYSA-N 3 1 312.461 3.402 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3ccncc3[nH]2)CC1 ZINC001232094977 1097937886 /nfs/dbraw/zinc/93/78/86/1097937886.db2.gz QOHCNIQNAAKFKJ-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC001232148931 1097951742 /nfs/dbraw/zinc/95/17/42/1097951742.db2.gz GXFXIJJMRVJNGA-UHFFFAOYSA-N 2 1 308.441 3.277 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001175211723 1097974585 /nfs/dbraw/zinc/97/45/85/1097974585.db2.gz VPGWQFKWQKQDNF-OLZOCXBDSA-N 2 1 313.272 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001175211723 1097974588 /nfs/dbraw/zinc/97/45/88/1097974588.db2.gz VPGWQFKWQKQDNF-OLZOCXBDSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001175211723 1097974593 /nfs/dbraw/zinc/97/45/93/1097974593.db2.gz VPGWQFKWQKQDNF-OLZOCXBDSA-N 2 1 313.272 3.419 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001175211723 1097974596 /nfs/dbraw/zinc/97/45/96/1097974596.db2.gz VPGWQFKWQKQDNF-OLZOCXBDSA-N 2 1 313.272 3.419 20 0 DGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257003 1097994103 /nfs/dbraw/zinc/99/41/03/1097994103.db2.gz RRXHBYIBPCUGBN-SLXDBMQSSA-N 2 1 323.525 3.092 20 0 DGADMP COCc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001232300278 1097997346 /nfs/dbraw/zinc/99/73/46/1097997346.db2.gz LKZMSKNXYYBUOD-UHFFFAOYSA-N 2 1 304.478 3.385 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(C)n1 ZINC001232336642 1098009536 /nfs/dbraw/zinc/00/95/36/1098009536.db2.gz SMNKBEXFHJCUPX-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(C)n1 ZINC001232336642 1098009542 /nfs/dbraw/zinc/00/95/42/1098009542.db2.gz SMNKBEXFHJCUPX-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001232336642 1098009545 /nfs/dbraw/zinc/00/95/45/1098009545.db2.gz SMNKBEXFHJCUPX-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(C)n1 ZINC001232336642 1098009550 /nfs/dbraw/zinc/00/95/50/1098009550.db2.gz SMNKBEXFHJCUPX-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC[C@@H]2COC(C)(C)O2)CC1 ZINC001175352496 1098022130 /nfs/dbraw/zinc/02/21/30/1098022130.db2.gz PRTMMAKITORLBR-QZTJIDSGSA-N 2 1 324.509 3.114 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001232393026 1098024862 /nfs/dbraw/zinc/02/48/62/1098024862.db2.gz TUMSHSFVHAAQOF-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3ccoc3cn2)CC1 ZINC001232551670 1098074804 /nfs/dbraw/zinc/07/48/04/1098074804.db2.gz ZWBVSVLAMQWXJY-UHFFFAOYSA-N 2 1 322.412 3.270 20 0 DGADMP C[NH+]1CCC(COc2ccc(NC3=CCC[N@@H+](C)C3)cc2)CC1 ZINC001175582784 1098088639 /nfs/dbraw/zinc/08/86/39/1098088639.db2.gz MJUHKROVZVZXHD-UHFFFAOYSA-N 2 1 315.461 3.039 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CN(c3cc[nH+]cc3)C[C@@H](C1)O2 ZINC001277693117 1098103543 /nfs/dbraw/zinc/10/35/43/1098103543.db2.gz DZPPVAQGXHCWNZ-QRQLOZEOSA-N 2 1 317.477 3.187 20 0 DGADMP c1[nH]c2ccccc2c1CC[N@@H+]1C[C@H]2C[C@@H](C1)N2c1cc[nH+]cc1 ZINC001277695426 1098107490 /nfs/dbraw/zinc/10/74/90/1098107490.db2.gz YYQBHZXBCOWKHM-HDICACEKSA-N 2 1 318.424 3.069 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@H]21 ZINC001277695456 1098107712 /nfs/dbraw/zinc/10/77/12/1098107712.db2.gz ZBKKBFPOLXBOCF-QRQLOZEOSA-N 2 1 317.477 3.187 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@H]21 ZINC001277695456 1098107715 /nfs/dbraw/zinc/10/77/15/1098107715.db2.gz ZBKKBFPOLXBOCF-QRQLOZEOSA-N 2 1 317.477 3.187 20 0 DGADMP CNc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232671516 1098110966 /nfs/dbraw/zinc/11/09/66/1098110966.db2.gz MNOPHXPSSSAQQO-BGYRXZFFSA-N 2 1 321.468 3.292 20 0 DGADMP CNc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232671516 1098110970 /nfs/dbraw/zinc/11/09/70/1098110970.db2.gz MNOPHXPSSSAQQO-BGYRXZFFSA-N 2 1 321.468 3.292 20 0 DGADMP CNc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232671516 1098110975 /nfs/dbraw/zinc/11/09/75/1098110975.db2.gz MNOPHXPSSSAQQO-BGYRXZFFSA-N 2 1 321.468 3.292 20 0 DGADMP CNc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232671516 1098110976 /nfs/dbraw/zinc/11/09/76/1098110976.db2.gz MNOPHXPSSSAQQO-BGYRXZFFSA-N 2 1 321.468 3.292 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001175740770 1098152802 /nfs/dbraw/zinc/15/28/02/1098152802.db2.gz VGYMCFJKCXIEIO-KRWDZBQOSA-N 2 1 313.530 3.172 20 0 DGADMP CCN1CC[NH+](Cc2ccc(Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC001175969533 1098214681 /nfs/dbraw/zinc/21/46/81/1098214681.db2.gz UHWBZYPTPUWFLR-UHFFFAOYSA-N 2 1 324.472 3.026 20 0 DGADMP c1nn2ccccc2c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233239592 1098261874 /nfs/dbraw/zinc/26/18/74/1098261874.db2.gz YUPJYNZQIOYHQW-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP c1nn2ccccc2c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233239592 1098261878 /nfs/dbraw/zinc/26/18/78/1098261878.db2.gz YUPJYNZQIOYHQW-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP Cc1ccc(Cl)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001233248106 1098262418 /nfs/dbraw/zinc/26/24/18/1098262418.db2.gz YCKSTSAAFGSPNH-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP C[N@H+]1CCc2ncc(Nc3cccc(C[NH+]4CCCC4)c3)cc2C1 ZINC001176194247 1098276004 /nfs/dbraw/zinc/27/60/04/1098276004.db2.gz AIELDGZHWBAWLS-UHFFFAOYSA-N 2 1 322.456 3.409 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874193 1098447080 /nfs/dbraw/zinc/44/70/80/1098447080.db2.gz HAXYEVTXZLDETI-MSOLQXFVSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874193 1098447083 /nfs/dbraw/zinc/44/70/83/1098447083.db2.gz HAXYEVTXZLDETI-MSOLQXFVSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874193 1098447084 /nfs/dbraw/zinc/44/70/84/1098447084.db2.gz HAXYEVTXZLDETI-MSOLQXFVSA-N 2 1 302.462 3.274 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)OC ZINC001277864666 1098596098 /nfs/dbraw/zinc/59/60/98/1098596098.db2.gz KPYPRSQKNBYDNK-CSNJMZFVSA-N 2 1 324.509 3.351 20 0 DGADMP c1ccc(-c2[nH]c3ccccc3c2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234977853 1098732745 /nfs/dbraw/zinc/73/27/45/1098732745.db2.gz CDEOLJNULFBHML-CALCHBBNSA-N 2 1 317.436 3.486 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c12 ZINC001234990641 1098736697 /nfs/dbraw/zinc/73/66/97/1098736697.db2.gz BXAUXAURLPGERR-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c12 ZINC001234990641 1098736709 /nfs/dbraw/zinc/73/67/09/1098736709.db2.gz BXAUXAURLPGERR-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2[nH]cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c21 ZINC001234995139 1098739381 /nfs/dbraw/zinc/73/93/81/1098739381.db2.gz YFBLUVCSSJQQQB-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2[nH]cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c21 ZINC001234995139 1098739385 /nfs/dbraw/zinc/73/93/85/1098739385.db2.gz YFBLUVCSSJQQQB-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005743 1098747272 /nfs/dbraw/zinc/74/72/72/1098747272.db2.gz JHYNHMOWASCMQV-HHXXYDBFSA-N 2 1 300.490 3.456 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005743 1098747282 /nfs/dbraw/zinc/74/72/82/1098747282.db2.gz JHYNHMOWASCMQV-HHXXYDBFSA-N 2 1 300.490 3.456 20 0 DGADMP CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008149 1098749077 /nfs/dbraw/zinc/74/90/77/1098749077.db2.gz RFCFPOVFLYMODQ-FQEVSTJZSA-N 2 1 316.489 3.186 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008149 1098749085 /nfs/dbraw/zinc/74/90/85/1098749085.db2.gz RFCFPOVFLYMODQ-FQEVSTJZSA-N 2 1 316.489 3.186 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235023582 1098754932 /nfs/dbraw/zinc/75/49/32/1098754932.db2.gz DCCHCDCAXOBVGM-UHFFFAOYSA-N 2 1 308.425 3.158 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235023582 1098754940 /nfs/dbraw/zinc/75/49/40/1098754940.db2.gz DCCHCDCAXOBVGM-UHFFFAOYSA-N 2 1 308.425 3.158 20 0 DGADMP Fc1ccc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)c(F)c1 ZINC001235026345 1098756947 /nfs/dbraw/zinc/75/69/47/1098756947.db2.gz NYRJRKIIYNUGIM-UHFFFAOYSA-N 2 1 314.379 3.427 20 0 DGADMP Fc1ccc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)c(F)c1 ZINC001235026345 1098756951 /nfs/dbraw/zinc/75/69/51/1098756951.db2.gz NYRJRKIIYNUGIM-UHFFFAOYSA-N 2 1 314.379 3.427 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C(C)C ZINC001235032328 1098761706 /nfs/dbraw/zinc/76/17/06/1098761706.db2.gz KBACYUSCNZABOG-IBGZPJMESA-N 2 1 302.462 3.312 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042915 1098770287 /nfs/dbraw/zinc/77/02/87/1098770287.db2.gz CSBOQFJYCXQDPU-GOSISDBHSA-N 2 1 324.415 3.439 20 0 DGADMP FC1(F)Oc2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)cc2O1 ZINC001235048622 1098773438 /nfs/dbraw/zinc/77/34/38/1098773438.db2.gz YZADPLCIKRLEBT-MRXNPFEDSA-N 2 1 324.371 3.116 20 0 DGADMP FC1(F)Oc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)cc2O1 ZINC001235048622 1098773448 /nfs/dbraw/zinc/77/34/48/1098773448.db2.gz YZADPLCIKRLEBT-MRXNPFEDSA-N 2 1 324.371 3.116 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C[C@@H]2C1 ZINC001235046699 1098773783 /nfs/dbraw/zinc/77/37/83/1098773783.db2.gz IYGJTIZCXIBIBF-HOTGVXAUSA-N 2 1 313.420 3.204 20 0 DGADMP Oc1cc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001235093074 1098794782 /nfs/dbraw/zinc/79/47/82/1098794782.db2.gz OKOHCEUPQSBTTP-UHFFFAOYSA-N 2 1 315.244 3.275 20 0 DGADMP CC(C)Oc1cc(F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC001235093411 1098795421 /nfs/dbraw/zinc/79/54/21/1098795421.db2.gz ANZTUFBWTWIEDO-UHFFFAOYSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(OCC)c1 ZINC001235092568 1098795591 /nfs/dbraw/zinc/79/55/91/1098795591.db2.gz LTVZEVHGWKGYCI-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC001235093971 1098796130 /nfs/dbraw/zinc/79/61/30/1098796130.db2.gz UXDUBLIXLLNACK-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP Fc1cc(Cl)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1F ZINC001235103668 1098803869 /nfs/dbraw/zinc/80/38/69/1098803869.db2.gz JKEWOMDBFIPMLK-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235112287 1098813376 /nfs/dbraw/zinc/81/33/76/1098813376.db2.gz ZSJZCZPXWHOBRT-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235112287 1098813388 /nfs/dbraw/zinc/81/33/88/1098813388.db2.gz ZSJZCZPXWHOBRT-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235143723 1098832337 /nfs/dbraw/zinc/83/23/37/1098832337.db2.gz LVNGQFPSAVCWLY-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143723 1098832346 /nfs/dbraw/zinc/83/23/46/1098832346.db2.gz LVNGQFPSAVCWLY-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235140240 1098833190 /nfs/dbraw/zinc/83/31/90/1098833190.db2.gz HOCPAZIQLQGEOA-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2)n[nH]1 ZINC001235154054 1098839023 /nfs/dbraw/zinc/83/90/23/1098839023.db2.gz HLIQLHNFBYSYOR-HXUWFJFHSA-N 2 1 324.472 3.431 20 0 DGADMP Cc1nc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1Cl ZINC001235153052 1098839482 /nfs/dbraw/zinc/83/94/82/1098839482.db2.gz DAVSDGJLTKTBRP-QGZVFWFLSA-N 2 1 307.869 3.398 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235154522 1098840415 /nfs/dbraw/zinc/84/04/15/1098840415.db2.gz MGKQDIMTRHAPDX-QGZVFWFLSA-N 2 1 312.379 3.458 20 0 DGADMP Cc1ccnc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155096 1098841358 /nfs/dbraw/zinc/84/13/58/1098841358.db2.gz CKIKAXJILHGHBV-INIZCTEOSA-N 2 1 307.869 3.398 20 0 DGADMP CCOc1ncc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1C ZINC001235155344 1098841409 /nfs/dbraw/zinc/84/14/09/1098841409.db2.gz CUAUXCHVXAYDPA-GOSISDBHSA-N 2 1 317.477 3.143 20 0 DGADMP COc1c(C)cccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156941 1098842359 /nfs/dbraw/zinc/84/23/59/1098842359.db2.gz OBWULKFFBGTLQQ-SFHVURJKSA-N 2 1 302.462 3.358 20 0 DGADMP CCOc1cc(O)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235156317 1098842997 /nfs/dbraw/zinc/84/29/97/1098842997.db2.gz FYFHJJFPJMVQJL-LJQANCHMSA-N 2 1 318.461 3.145 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001235157854 1098844029 /nfs/dbraw/zinc/84/40/29/1098844029.db2.gz SHMFGVMCYVBNAO-INIZCTEOSA-N 2 1 307.869 3.398 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC001235210279 1098882372 /nfs/dbraw/zinc/88/23/72/1098882372.db2.gz VMDWEYCRFKLIEI-DZFIZOCASA-N 2 1 312.388 3.315 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC001235210279 1098882384 /nfs/dbraw/zinc/88/23/84/1098882384.db2.gz VMDWEYCRFKLIEI-DZFIZOCASA-N 2 1 312.388 3.315 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001178661321 1098901072 /nfs/dbraw/zinc/90/10/72/1098901072.db2.gz NYXQCUSIHWLNHB-ROUUACIJSA-N 2 1 316.489 3.407 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001178661321 1098901078 /nfs/dbraw/zinc/90/10/78/1098901078.db2.gz NYXQCUSIHWLNHB-ROUUACIJSA-N 2 1 316.489 3.407 20 0 DGADMP Cc1ccc2[nH]nc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235228357 1098901590 /nfs/dbraw/zinc/90/15/90/1098901590.db2.gz MEWMCCCPODZCIU-KRWDZBQOSA-N 2 1 312.461 3.225 20 0 DGADMP COc1cc(Cl)ncc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235231400 1098903558 /nfs/dbraw/zinc/90/35/58/1098903558.db2.gz YGHSEZJUNBQOSQ-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235239984 1098911482 /nfs/dbraw/zinc/91/14/82/1098911482.db2.gz HMHWYNWVACGOEY-HZPDHXFCSA-N 2 1 312.379 3.451 20 0 DGADMP Fc1ccc2[nH]c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235237897 1098911723 /nfs/dbraw/zinc/91/17/23/1098911723.db2.gz NSAKEWCBOQKJGG-HNNXBMFYSA-N 2 1 316.424 3.056 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248394 1098919860 /nfs/dbraw/zinc/91/98/60/1098919860.db2.gz SMQOUIIYNHUAHZ-CGTJXYLNSA-N 2 1 304.503 3.350 20 0 DGADMP CS[C@@H](C)CC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248394 1098919869 /nfs/dbraw/zinc/91/98/69/1098919869.db2.gz SMQOUIIYNHUAHZ-CGTJXYLNSA-N 2 1 304.503 3.350 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001235253062 1098925751 /nfs/dbraw/zinc/92/57/51/1098925751.db2.gz BSUJTGUKPVXMIS-FHWLQOOXSA-N 2 1 320.521 3.338 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001235253062 1098925758 /nfs/dbraw/zinc/92/57/58/1098925758.db2.gz BSUJTGUKPVXMIS-FHWLQOOXSA-N 2 1 320.521 3.338 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235261521 1098933773 /nfs/dbraw/zinc/93/37/73/1098933773.db2.gz ITGVPNGTEBDFPT-LPHOPBHVSA-N 2 1 302.462 3.274 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235340056 1098964465 /nfs/dbraw/zinc/96/44/65/1098964465.db2.gz HBCQYLVUAANCSX-CQSZACIVSA-N 2 1 315.848 3.172 20 0 DGADMP Fc1ccccc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349180 1098972368 /nfs/dbraw/zinc/97/23/68/1098972368.db2.gz MRPREIQLMGQHCY-UYAOXDASSA-N 2 1 310.416 3.405 20 0 DGADMP Fc1ccccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349180 1098972378 /nfs/dbraw/zinc/97/23/78/1098972378.db2.gz MRPREIQLMGQHCY-UYAOXDASSA-N 2 1 310.416 3.405 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235369172 1098983141 /nfs/dbraw/zinc/98/31/41/1098983141.db2.gz RCSMMNHUINZREW-WAOWUJCRSA-N 2 1 322.452 3.101 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235367297 1098983634 /nfs/dbraw/zinc/98/36/34/1098983634.db2.gz HGHZMFYKTFSUCA-WJFTUGDTSA-N 2 1 306.494 3.212 20 0 DGADMP S=C1C=COC1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235376282 1098985794 /nfs/dbraw/zinc/98/57/94/1098985794.db2.gz WDKVZXBNODZWHP-QAPCUYQASA-N 2 1 314.454 3.147 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399313 1098994900 /nfs/dbraw/zinc/99/49/00/1098994900.db2.gz AISVKFAAPKSFGQ-CABCVRRESA-N 2 1 316.342 3.229 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399313 1098994907 /nfs/dbraw/zinc/99/49/07/1098994907.db2.gz AISVKFAAPKSFGQ-CABCVRRESA-N 2 1 316.342 3.229 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCCCc1ccccc1)C2 ZINC001235403602 1098999866 /nfs/dbraw/zinc/99/98/66/1098999866.db2.gz LJFMTUANQMKCNK-MOPGFXCFSA-N 2 1 304.453 3.423 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)NCCC2 ZINC001235420716 1099012989 /nfs/dbraw/zinc/01/29/89/1099012989.db2.gz AMUSPLOGDHTPJD-MOPGFXCFSA-N 2 1 313.489 3.256 20 0 DGADMP COc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235421573 1099013921 /nfs/dbraw/zinc/01/39/21/1099013921.db2.gz BJWMWWOQZOGUGT-LSDHHAIUSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235424024 1099016371 /nfs/dbraw/zinc/01/63/71/1099016371.db2.gz IWGVJMQOTWRQAI-CVEARBPZSA-N 2 1 306.425 3.046 20 0 DGADMP COc1c(F)ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235427582 1099018968 /nfs/dbraw/zinc/01/89/68/1099018968.db2.gz MLRSXYXZDCUYOH-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426213 1099019003 /nfs/dbraw/zinc/01/90/03/1099019003.db2.gz JKEPAEIVVJOOAN-JKSUJKDBSA-N 2 1 306.425 3.046 20 0 DGADMP COc1c(F)ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235427579 1099019907 /nfs/dbraw/zinc/01/99/07/1099019907.db2.gz MLRSXYXZDCUYOH-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC001235427479 1099020721 /nfs/dbraw/zinc/02/07/21/1099020721.db2.gz NHSSSGSQNBXUKS-WMZOPIPTSA-N 2 1 317.477 3.000 20 0 DGADMP CCCOc1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429646 1099023580 /nfs/dbraw/zinc/02/35/80/1099023580.db2.gz UVJVAXOOORJBJN-IAGOWNOFSA-N 2 1 317.477 3.082 20 0 DGADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430265 1099024707 /nfs/dbraw/zinc/02/47/07/1099024707.db2.gz WHKUDPAFORUBFZ-ZIAGYGMSSA-N 2 1 308.853 3.257 20 0 DGADMP Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235431039 1099024757 /nfs/dbraw/zinc/02/47/57/1099024757.db2.gz UCWXQNHMXZUTOH-LSDHHAIUSA-N 2 1 307.869 3.255 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235429774 1099025055 /nfs/dbraw/zinc/02/50/55/1099025055.db2.gz RJSINGHVWFFGLQ-CHWSQXEVSA-N 2 1 312.379 3.316 20 0 DGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430165 1099025658 /nfs/dbraw/zinc/02/56/58/1099025658.db2.gz GCNFUAAULWWYET-HZPDHXFCSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430165 1099025667 /nfs/dbraw/zinc/02/56/67/1099025667.db2.gz GCNFUAAULWWYET-HZPDHXFCSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430165 1099025679 /nfs/dbraw/zinc/02/56/79/1099025679.db2.gz GCNFUAAULWWYET-HZPDHXFCSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cnc1C1CC1 ZINC001235430192 1099025802 /nfs/dbraw/zinc/02/58/02/1099025802.db2.gz GPBGGQPCPJTXJZ-RTBURBONSA-N 2 1 313.489 3.479 20 0 DGADMP Cn1ccc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235430407 1099027228 /nfs/dbraw/zinc/02/72/28/1099027228.db2.gz SPUYEXCHAQAJQL-RBUKOAKNSA-N 2 1 311.473 3.390 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431221 1099029429 /nfs/dbraw/zinc/02/94/29/1099029429.db2.gz MUGCXXRYJYVNEI-ULQDDVLXSA-N 2 1 318.509 3.145 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001235435154 1099032037 /nfs/dbraw/zinc/03/20/37/1099032037.db2.gz BHLUYPVCRRWXBA-UHFFFAOYSA-N 2 1 307.800 3.322 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001235435677 1099034329 /nfs/dbraw/zinc/03/43/29/1099034329.db2.gz ULJPGBBOBXOLMW-UHFFFAOYSA-N 2 1 320.383 3.324 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001235435677 1099034343 /nfs/dbraw/zinc/03/43/43/1099034343.db2.gz ULJPGBBOBXOLMW-UHFFFAOYSA-N 2 1 320.383 3.324 20 0 DGADMP C[N@H+](Cc1cccc(SC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235464400 1099050873 /nfs/dbraw/zinc/05/08/73/1099050873.db2.gz DRCPRHBFDYVNCC-UHFFFAOYSA-N 2 1 304.381 3.482 20 0 DGADMP C[N@@H+](Cc1cccc(SC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235464400 1099050885 /nfs/dbraw/zinc/05/08/85/1099050885.db2.gz DRCPRHBFDYVNCC-UHFFFAOYSA-N 2 1 304.381 3.482 20 0 DGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)c(C)cc1Br ZINC001235465250 1099052472 /nfs/dbraw/zinc/05/24/72/1099052472.db2.gz IFXQFEPISYGCFD-UHFFFAOYSA-N 2 1 311.267 3.250 20 0 DGADMP OCCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235527110 1099073873 /nfs/dbraw/zinc/07/38/73/1099073873.db2.gz UDGPDTJPTWIQBX-UHFFFAOYSA-N 2 1 322.518 3.199 20 0 DGADMP [NH3+]CCCCCC[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001235541396 1099082699 /nfs/dbraw/zinc/08/26/99/1099082699.db2.gz LNXKKKBAXJTJBU-MJGOQNOKSA-N 2 1 317.477 3.082 20 0 DGADMP C(C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1)[C@H]1CCCC[NH2+]1 ZINC001235595556 1099095146 /nfs/dbraw/zinc/09/51/46/1099095146.db2.gz XJRSWOLDFRMGCA-AKHDSKFASA-N 2 1 306.494 3.046 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](C)O)C2 ZINC001277959292 1099107206 /nfs/dbraw/zinc/10/72/06/1099107206.db2.gz REZVNFSJVCUURX-CEXWTWQISA-N 2 1 310.526 3.372 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](C)O)C2 ZINC001277959292 1099107211 /nfs/dbraw/zinc/10/72/11/1099107211.db2.gz REZVNFSJVCUURX-CEXWTWQISA-N 2 1 310.526 3.372 20 0 DGADMP c1cc2n(c1C[N@@H+]1CCC[C@H](Cc3ccccc3)C1)CC[NH2+]C2 ZINC001235672407 1099116571 /nfs/dbraw/zinc/11/65/71/1099116571.db2.gz CRTNSALBDRCZPK-GOSISDBHSA-N 2 1 309.457 3.046 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235672709 1099116779 /nfs/dbraw/zinc/11/67/79/1099116779.db2.gz FPDNNDIIKNCSCA-KBAYOESNSA-N 2 1 322.443 3.432 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235672709 1099116787 /nfs/dbraw/zinc/11/67/87/1099116787.db2.gz FPDNNDIIKNCSCA-KBAYOESNSA-N 2 1 322.443 3.432 20 0 DGADMP Fc1ccc(OC2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235675103 1099117657 /nfs/dbraw/zinc/11/76/57/1099117657.db2.gz OLTTWXQGLOQYSV-OAHLLOKOSA-N 2 1 324.415 3.340 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)cc1Br ZINC001235675684 1099117699 /nfs/dbraw/zinc/11/76/99/1099117699.db2.gz LCLBAOHCIVFIPM-ZDUSSCGKSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)cc1Br ZINC001235675684 1099117702 /nfs/dbraw/zinc/11/77/02/1099117702.db2.gz LCLBAOHCIVFIPM-ZDUSSCGKSA-N 2 1 311.267 3.237 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2[C@H](C)CNCC2(F)F)cc1 ZINC001235677417 1099120080 /nfs/dbraw/zinc/12/00/80/1099120080.db2.gz GYSKIQOLQGMDTR-COXVUDFISA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677417 1099120087 /nfs/dbraw/zinc/12/00/87/1099120087.db2.gz GYSKIQOLQGMDTR-COXVUDFISA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677417 1099120092 /nfs/dbraw/zinc/12/00/92/1099120092.db2.gz GYSKIQOLQGMDTR-COXVUDFISA-N 2 1 324.415 3.323 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001235678598 1099122589 /nfs/dbraw/zinc/12/25/89/1099122589.db2.gz NGGBHTREASLAKR-UHFFFAOYSA-N 2 1 322.321 3.415 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001235693144 1099132119 /nfs/dbraw/zinc/13/21/19/1099132119.db2.gz SJSTWWMQNKRAEC-IBGZPJMESA-N 2 1 310.441 3.497 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235693640 1099132167 /nfs/dbraw/zinc/13/21/67/1099132167.db2.gz YMGZHWWCNSFXBR-QZTJIDSGSA-N 2 1 302.462 3.370 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001235710595 1099139917 /nfs/dbraw/zinc/13/99/17/1099139917.db2.gz QLNFNRCEZKPWJE-KRWDZBQOSA-N 2 1 310.869 3.450 20 0 DGADMP c1c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)sc2c1CC[NH2+]C2 ZINC001235715910 1099143741 /nfs/dbraw/zinc/14/37/41/1099143741.db2.gz XSZWJQXZLZSLMG-INIZCTEOSA-N 2 1 312.482 3.458 20 0 DGADMP CC[NH2+]C1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001235726504 1099148563 /nfs/dbraw/zinc/14/85/63/1099148563.db2.gz QWFBFQNXVNEBDC-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2CC2(C)CC[NH2+]CC2)cc1 ZINC001235726002 1099148787 /nfs/dbraw/zinc/14/87/87/1099148787.db2.gz LKZOLRUOCQZMNU-QGZVFWFLSA-N 2 1 320.502 3.175 20 0 DGADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235726817 1099148864 /nfs/dbraw/zinc/14/88/64/1099148864.db2.gz QBCDJUBEZXNFBN-QGZVFWFLSA-N 2 1 310.416 3.461 20 0 DGADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235726815 1099149434 /nfs/dbraw/zinc/14/94/34/1099149434.db2.gz QBCDJUBEZXNFBN-KRWDZBQOSA-N 2 1 310.416 3.461 20 0 DGADMP c1cc(S[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)ccn1 ZINC001235750301 1099163743 /nfs/dbraw/zinc/16/37/43/1099163743.db2.gz OWGWVEBNSCKLCD-DOTOQJQBSA-N 2 1 305.491 3.170 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)ccc1F ZINC001235804946 1099187510 /nfs/dbraw/zinc/18/75/10/1099187510.db2.gz FMUHAFZWPUWBTJ-INIZCTEOSA-N 2 1 316.376 3.273 20 0 DGADMP CCOc1cc(CN2CC[C@H](Oc3ccncc3)C2)ccc1F ZINC001235804946 1099187512 /nfs/dbraw/zinc/18/75/12/1099187512.db2.gz FMUHAFZWPUWBTJ-INIZCTEOSA-N 2 1 316.376 3.273 20 0 DGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235838851 1099203189 /nfs/dbraw/zinc/20/31/89/1099203189.db2.gz CYTCLHZBQHICOM-UHFFFAOYSA-N 2 1 304.434 3.207 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H](NCc3ccccc3OC3CCCC3)[C@@H]2C1 ZINC001179815544 1099212433 /nfs/dbraw/zinc/21/24/33/1099212433.db2.gz HTAKKRPMTXCJSB-UHOSZYNNSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@@H]2C1 ZINC001179815544 1099212443 /nfs/dbraw/zinc/21/24/43/1099212443.db2.gz HTAKKRPMTXCJSB-UHOSZYNNSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@@H]2C1 ZINC001179815544 1099212451 /nfs/dbraw/zinc/21/24/51/1099212451.db2.gz HTAKKRPMTXCJSB-UHOSZYNNSA-N 2 1 314.473 3.438 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890779 1099236143 /nfs/dbraw/zinc/23/61/43/1099236143.db2.gz CATYETWXXDKPCH-GXTWGEPZSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890779 1099236147 /nfs/dbraw/zinc/23/61/47/1099236147.db2.gz CATYETWXXDKPCH-GXTWGEPZSA-N 2 1 300.368 3.450 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925627 1099262096 /nfs/dbraw/zinc/26/20/96/1099262096.db2.gz MRZZGAGARZZDSK-HNNXBMFYSA-N 2 1 311.267 3.325 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925050 1099261925 /nfs/dbraw/zinc/26/19/25/1099261925.db2.gz HMCKCQUTZBXCFZ-ZDUSSCGKSA-N 2 1 302.340 3.027 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925627 1099262105 /nfs/dbraw/zinc/26/21/05/1099262105.db2.gz MRZZGAGARZZDSK-HNNXBMFYSA-N 2 1 311.267 3.325 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc(OC(F)(F)F)c1 ZINC001235925922 1099263623 /nfs/dbraw/zinc/26/36/23/1099263623.db2.gz RYOYYRUAGDLAJR-ZDUSSCGKSA-N 2 1 302.340 3.207 20 0 DGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)c1 ZINC001235933615 1099268478 /nfs/dbraw/zinc/26/84/78/1099268478.db2.gz HPWGFZAFEOYGAR-LJQANCHMSA-N 2 1 310.416 3.461 20 0 DGADMP COCCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235935193 1099269976 /nfs/dbraw/zinc/26/99/76/1099269976.db2.gz FRQSZDLXHDRBIO-QGZVFWFLSA-N 2 1 308.510 3.459 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235938609 1099272302 /nfs/dbraw/zinc/27/23/02/1099272302.db2.gz LNYOVKNTTBFBAG-IRXDYDNUSA-N 2 1 310.441 3.280 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)ccc1-2 ZINC001235937939 1099272993 /nfs/dbraw/zinc/27/29/93/1099272993.db2.gz JWFFAHQNVTXXSJ-HKUYNNGSSA-N 2 1 304.437 3.299 20 0 DGADMP COCCC[N@@H+](Cc1cc2ccccc2s1)C1CC[NH2+]CC1 ZINC001235938714 1099274860 /nfs/dbraw/zinc/27/48/60/1099274860.db2.gz ZYYKLOKDOJFQBY-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235939943 1099275613 /nfs/dbraw/zinc/27/56/13/1099275613.db2.gz RHGVRJIFJGRBOK-MOPGFXCFSA-N 2 1 322.452 3.404 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235943866 1099276467 /nfs/dbraw/zinc/27/64/67/1099276467.db2.gz ZMIYYIBZMBNRRW-OALUTQOASA-N 2 1 308.425 3.101 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235942871 1099277205 /nfs/dbraw/zinc/27/72/05/1099277205.db2.gz YLUOWCPJUNVXEY-AZUAARDMSA-N 2 1 322.452 3.404 20 0 DGADMP CCCCOc1cccc(C[N@H+](CCOC)C2CC[NH2+]CC2)c1 ZINC001235945089 1099278671 /nfs/dbraw/zinc/27/86/71/1099278671.db2.gz SFDGEVFSKTTZMR-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CCCCOc1cccc(C[N@@H+](CCOC)C2CC[NH2+]CC2)c1 ZINC001235945089 1099278678 /nfs/dbraw/zinc/27/86/78/1099278678.db2.gz SFDGEVFSKTTZMR-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP COCC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235946741 1099278846 /nfs/dbraw/zinc/27/88/46/1099278846.db2.gz RGXONEVEKFBPLY-QAPCUYQASA-N 2 1 322.880 3.144 20 0 DGADMP CCN(CC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947491 1099281246 /nfs/dbraw/zinc/28/12/46/1099281246.db2.gz CNJNYTFRFBOVJK-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(CC[N@H+](CC[C@@H]2C[NH2+]CCO2)Cc2ccccc2)cc1 ZINC001235949164 1099283133 /nfs/dbraw/zinc/28/31/33/1099283133.db2.gz YKUHIGTVSUPBQG-OAQYLSRUSA-N 2 1 324.468 3.110 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2[C@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950132 1099283975 /nfs/dbraw/zinc/28/39/75/1099283975.db2.gz RBSJANYPPUDBNB-COXVUDFISA-N 2 1 324.415 3.323 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]2[C@H](C)C[NH2+]CC2(F)F)c1 ZINC001235950132 1099283978 /nfs/dbraw/zinc/28/39/78/1099283978.db2.gz RBSJANYPPUDBNB-COXVUDFISA-N 2 1 324.415 3.323 20 0 DGADMP C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956248 1099287799 /nfs/dbraw/zinc/28/77/99/1099287799.db2.gz BGXOUYUGIJOYGX-CQSZACIVSA-N 2 1 301.409 3.252 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235958026 1099288968 /nfs/dbraw/zinc/28/89/68/1099288968.db2.gz CBBHWFLDLCVHML-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+](C)C[C@H]3CCC[NH2+]C3)c2)cc1 ZINC001235958192 1099290154 /nfs/dbraw/zinc/29/01/54/1099290154.db2.gz YHONCACILVYMIC-KRWDZBQOSA-N 2 1 309.457 3.488 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+](C)C[C@H]3CCC[NH2+]C3)c2)cc1 ZINC001235958192 1099290164 /nfs/dbraw/zinc/29/01/64/1099290164.db2.gz YHONCACILVYMIC-KRWDZBQOSA-N 2 1 309.457 3.488 20 0 DGADMP CC[N@@H+](Cc1ccccc1F)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235959933 1099290930 /nfs/dbraw/zinc/29/09/30/1099290930.db2.gz FDTNZUQDENAESM-JSGCOSHPSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccccc1F)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235959933 1099290941 /nfs/dbraw/zinc/29/09/41/1099290941.db2.gz FDTNZUQDENAESM-JSGCOSHPSA-N 2 1 300.368 3.138 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960098 1099291288 /nfs/dbraw/zinc/29/12/88/1099291288.db2.gz PLOOGKAIYFKAPO-AGGWBTHJSA-N 2 1 314.351 3.063 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961510 1099293213 /nfs/dbraw/zinc/29/32/13/1099293213.db2.gz BFPDPJQQNSBQLS-SWLSCSKDSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961510 1099293221 /nfs/dbraw/zinc/29/32/21/1099293221.db2.gz BFPDPJQQNSBQLS-SWLSCSKDSA-N 2 1 300.368 3.138 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235960641 1099294358 /nfs/dbraw/zinc/29/43/58/1099294358.db2.gz VUNZFFARPZMBON-UPHUGPLXSA-N 2 1 304.437 3.427 20 0 DGADMP COc1ccccc1[C@H](C)[N@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963521 1099295887 /nfs/dbraw/zinc/29/58/87/1099295887.db2.gz WEWPZEMQACZPKB-YDHLFZDLSA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963521 1099295896 /nfs/dbraw/zinc/29/58/96/1099295896.db2.gz WEWPZEMQACZPKB-YDHLFZDLSA-N 2 1 312.404 3.179 20 0 DGADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001235963434 1099296777 /nfs/dbraw/zinc/29/67/77/1099296777.db2.gz SZJACQCXMUVJKR-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2F)C1 ZINC001180082774 1099305952 /nfs/dbraw/zinc/30/59/52/1099305952.db2.gz SHBZDAGQVSMKMX-KRWDZBQOSA-N 2 1 308.441 3.067 20 0 DGADMP CCCCCCc1csc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236002498 1099325472 /nfs/dbraw/zinc/32/54/72/1099325472.db2.gz VRLYMWQVZIXMPE-BYICEURKSA-N 2 1 322.518 3.276 20 0 DGADMP C[N@H+](Cc1cn2c(n1)C[NH2+]CC2)C1CCC(C(C)(C)C)CC1 ZINC001236009532 1099333230 /nfs/dbraw/zinc/33/32/30/1099333230.db2.gz UYQQISAHXHBOFG-UHFFFAOYSA-N 2 1 304.482 3.023 20 0 DGADMP C[N@@H+](Cc1cn2c(n1)C[NH2+]CC2)C1CCC(C(C)(C)C)CC1 ZINC001236009532 1099333241 /nfs/dbraw/zinc/33/32/41/1099333241.db2.gz UYQQISAHXHBOFG-UHFFFAOYSA-N 2 1 304.482 3.023 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236013149 1099334758 /nfs/dbraw/zinc/33/47/58/1099334758.db2.gz YRRBDPJNNONGFA-RTWAWAEBSA-N 2 1 306.453 3.276 20 0 DGADMP CCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236012481 1099335928 /nfs/dbraw/zinc/33/59/28/1099335928.db2.gz MHNSHAQVULPFGK-CTNGQTDRSA-N 2 1 322.452 3.058 20 0 DGADMP CCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236012481 1099335943 /nfs/dbraw/zinc/33/59/43/1099335943.db2.gz MHNSHAQVULPFGK-CTNGQTDRSA-N 2 1 322.452 3.058 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236058721 1099357816 /nfs/dbraw/zinc/35/78/16/1099357816.db2.gz ALUDPRACAHUFIA-XOKHGSTOSA-N 2 1 308.416 3.487 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236058721 1099357825 /nfs/dbraw/zinc/35/78/25/1099357825.db2.gz ALUDPRACAHUFIA-XOKHGSTOSA-N 2 1 308.416 3.487 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3C)C1 ZINC001236068279 1099368446 /nfs/dbraw/zinc/36/84/46/1099368446.db2.gz XMPKXTDXHMEXLY-MRXNPFEDSA-N 2 1 307.441 3.373 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001236069212 1099368748 /nfs/dbraw/zinc/36/87/48/1099368748.db2.gz XPHWYNVQRZOZKR-XIRDDKMYSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001236069212 1099368758 /nfs/dbraw/zinc/36/87/58/1099368758.db2.gz XPHWYNVQRZOZKR-XIRDDKMYSA-N 2 1 308.416 3.357 20 0 DGADMP CC[N@@H+](Cc1cccs1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236088317 1099378862 /nfs/dbraw/zinc/37/88/62/1099378862.db2.gz DJHZHZMIQXWUEB-UHFFFAOYSA-N 2 1 315.486 3.180 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC3(F)CC[NH2+]CC3)C2)cc1 ZINC001236092436 1099381282 /nfs/dbraw/zinc/38/12/82/1099381282.db2.gz KUVADJAHEFWEQS-KRWDZBQOSA-N 2 1 320.452 3.041 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236112460 1099400324 /nfs/dbraw/zinc/40/03/24/1099400324.db2.gz PQTUXSGNSRJXHN-UHFFFAOYSA-N 2 1 310.441 3.063 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1c(Cl)cccc1OC(F)(F)F ZINC001236142527 1099428231 /nfs/dbraw/zinc/42/82/31/1099428231.db2.gz YGRJTGWGTQKIQZ-UHFFFAOYSA-N 2 1 310.747 3.409 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001236143399 1099429915 /nfs/dbraw/zinc/42/99/15/1099429915.db2.gz GBZREPAEVUXGMY-SUMWQHHRSA-N 2 1 324.415 3.062 20 0 DGADMP C[NH+]1CCC2(CCN(CCC[NH2+]C3CCCCC3)CC2)CC1 ZINC001236156917 1099435926 /nfs/dbraw/zinc/43/59/26/1099435926.db2.gz BGJICIMIDAONRV-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)ccc1Br ZINC001236221471 1099480143 /nfs/dbraw/zinc/48/01/43/1099480143.db2.gz GLTXDSUIZVMSTB-HDJSIYSDSA-N 2 1 311.267 3.459 20 0 DGADMP Clc1ccc([C@@H]2COCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001236181264 1099451620 /nfs/dbraw/zinc/45/16/20/1099451620.db2.gz FXOJKCZXKDBFAJ-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccc([C@@H]2COCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001236181264 1099451627 /nfs/dbraw/zinc/45/16/27/1099451627.db2.gz FXOJKCZXKDBFAJ-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP Fc1ccc(S[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236223459 1099482188 /nfs/dbraw/zinc/48/21/88/1099482188.db2.gz PUSRKYMMENRQDM-YOEHRIQHSA-N 2 1 308.466 3.382 20 0 DGADMP C[N@H+](Cc1ccc(OC2CCCCC2)nc1)C1(C)CC[NH2+]CC1 ZINC001236227012 1099483331 /nfs/dbraw/zinc/48/33/31/1099483331.db2.gz XFGSTCKGCSKIMD-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP C[N@@H+](Cc1ccc(OC2CCCCC2)nc1)C1(C)CC[NH2+]CC1 ZINC001236227012 1099483338 /nfs/dbraw/zinc/48/33/38/1099483338.db2.gz XFGSTCKGCSKIMD-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP [NH3+]C1CCC([N@@H+](CC[C@@H]2CCCC[NH2+]2)Cc2ccccc2)CC1 ZINC001236228304 1099484416 /nfs/dbraw/zinc/48/44/16/1099484416.db2.gz SMTFRSCYBHFUHJ-GPJFCIFZSA-N 3 1 315.505 3.291 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCSc2ccccc2C1 ZINC001236241248 1099495418 /nfs/dbraw/zinc/49/54/18/1099495418.db2.gz RDPFTEBLHIWDME-TZMCWYRMSA-N 2 1 312.429 3.085 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCSc2ccccc2C1 ZINC001236241248 1099495423 /nfs/dbraw/zinc/49/54/23/1099495423.db2.gz RDPFTEBLHIWDME-TZMCWYRMSA-N 2 1 312.429 3.085 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236304651 1099525531 /nfs/dbraw/zinc/52/55/31/1099525531.db2.gz NDKVIAMUIXLQKS-OALUTQOASA-N 2 1 316.489 3.482 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC001236305607 1099525795 /nfs/dbraw/zinc/52/57/95/1099525795.db2.gz ZNYFXTVQNMTQSI-SFHVURJKSA-N 2 1 304.478 3.469 20 0 DGADMP OCCCCCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC001236313891 1099528599 /nfs/dbraw/zinc/52/85/99/1099528599.db2.gz CXYRRJNYVJIWTD-UHFFFAOYSA-N 2 1 318.505 3.431 20 0 DGADMP CC1(C[N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001236315610 1099530385 /nfs/dbraw/zinc/53/03/85/1099530385.db2.gz QQFWMYDBFJPUOA-INIZCTEOSA-N 2 1 308.853 3.103 20 0 DGADMP CC1(C[N@H+]2CCOC[C@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001236315610 1099530396 /nfs/dbraw/zinc/53/03/96/1099530396.db2.gz QQFWMYDBFJPUOA-INIZCTEOSA-N 2 1 308.853 3.103 20 0 DGADMP c1csc(-c2ccccc2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236319640 1099534340 /nfs/dbraw/zinc/53/43/40/1099534340.db2.gz CAFJYQBSRXRNOC-GASCZTMLSA-N 2 1 313.470 3.242 20 0 DGADMP COc1cccc([C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236336949 1099543787 /nfs/dbraw/zinc/54/37/87/1099543787.db2.gz XQYMBXLATPJWDA-QZTJIDSGSA-N 2 1 302.462 3.407 20 0 DGADMP c1ccc(COCC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236371882 1099557374 /nfs/dbraw/zinc/55/73/74/1099557374.db2.gz NYDIBYVTBHGJHK-IBGZPJMESA-N 2 1 316.489 3.447 20 0 DGADMP CN(C)c1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375030 1099559917 /nfs/dbraw/zinc/55/99/17/1099559917.db2.gz HNOIFUMQXVJTTB-GOSISDBHSA-N 2 1 315.505 3.497 20 0 DGADMP Nc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236376310 1099563575 /nfs/dbraw/zinc/56/35/75/1099563575.db2.gz RVYVAXACWHEWSR-HNNXBMFYSA-N 2 1 305.441 3.152 20 0 DGADMP Cc1ccc(O)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236377289 1099564696 /nfs/dbraw/zinc/56/46/96/1099564696.db2.gz YMBXWWRICKLKQM-MRXNPFEDSA-N 2 1 302.462 3.445 20 0 DGADMP CC[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236409766 1099583686 /nfs/dbraw/zinc/58/36/86/1099583686.db2.gz VYYPAGOCSUNLML-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001236410080 1099584299 /nfs/dbraw/zinc/58/42/99/1099584299.db2.gz DFHLACSHXJZDKJ-IBGZPJMESA-N 2 1 322.452 3.330 20 0 DGADMP C[N@@H+](CC(C)(C)Sc1ccc(Cl)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412778 1099587840 /nfs/dbraw/zinc/58/78/40/1099587840.db2.gz YJOSCFQLWMIIJN-FICVDOATSA-N 2 1 310.894 3.360 20 0 DGADMP CCCOc1ncccc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456940 1099619847 /nfs/dbraw/zinc/61/98/47/1099619847.db2.gz HBBCNGHDRRVMPY-UHFFFAOYSA-N 2 1 319.493 3.471 20 0 DGADMP CCCOc1ncccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456940 1099619853 /nfs/dbraw/zinc/61/98/53/1099619853.db2.gz HBBCNGHDRRVMPY-UHFFFAOYSA-N 2 1 319.493 3.471 20 0 DGADMP COc1cc(F)ccc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457607 1099619909 /nfs/dbraw/zinc/61/99/09/1099619909.db2.gz OPPKOXRCOCEMLO-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP COc1cc(F)ccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457607 1099619912 /nfs/dbraw/zinc/61/99/12/1099619912.db2.gz OPPKOXRCOCEMLO-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP COc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1OC ZINC001236458777 1099621686 /nfs/dbraw/zinc/62/16/86/1099621686.db2.gz XZAYJLUQTCIPBD-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CC(C)(C)C[N@H+](CCC[NH2+]C1CCCCC1)C1CC[NH2+]CC1 ZINC001236457983 1099621971 /nfs/dbraw/zinc/62/19/71/1099621971.db2.gz PAYGUKHFEYNPLT-UHFFFAOYSA-N 3 1 309.542 3.399 20 0 DGADMP CC(C)(C)C[N@@H+](CCC[NH2+]C1CCCCC1)C1CC[NH2+]CC1 ZINC001236457983 1099621985 /nfs/dbraw/zinc/62/19/85/1099621985.db2.gz PAYGUKHFEYNPLT-UHFFFAOYSA-N 3 1 309.542 3.399 20 0 DGADMP CCOc1ncc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1F ZINC001236459188 1099623398 /nfs/dbraw/zinc/62/33/98/1099623398.db2.gz HLHSRGXZZWSTTR-UHFFFAOYSA-N 2 1 323.456 3.220 20 0 DGADMP CCOc1ncc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1F ZINC001236459188 1099623404 /nfs/dbraw/zinc/62/34/04/1099623404.db2.gz HLHSRGXZZWSTTR-UHFFFAOYSA-N 2 1 323.456 3.220 20 0 DGADMP Cc1cccc2c(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)[nH]nc21 ZINC001236458590 1099623597 /nfs/dbraw/zinc/62/35/97/1099623597.db2.gz UGPLIEYWMBLNDE-UHFFFAOYSA-N 2 1 314.477 3.471 20 0 DGADMP Cc1cc(F)ccc1C[N@H+](C[C@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236517562 1099656092 /nfs/dbraw/zinc/65/60/92/1099656092.db2.gz KMOLJJLFCTXMCY-LJQANCHMSA-N 2 1 318.436 3.381 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](C[C@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236517562 1099656100 /nfs/dbraw/zinc/65/61/00/1099656100.db2.gz KMOLJJLFCTXMCY-LJQANCHMSA-N 2 1 318.436 3.381 20 0 DGADMP CNc1ncc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236540137 1099671189 /nfs/dbraw/zinc/67/11/89/1099671189.db2.gz IGXIBYNLOSZJIE-HDJSIYSDSA-N 2 1 308.495 3.057 20 0 DGADMP CCOc1ncc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236554517 1099676823 /nfs/dbraw/zinc/67/68/23/1099676823.db2.gz IYLPQHAWFOHSBR-WKILWMFISA-N 2 1 323.456 3.347 20 0 DGADMP Cc1ccccc1C[N@@H+](Cc1ccncc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557103 1099679502 /nfs/dbraw/zinc/67/95/02/1099679502.db2.gz IOVQHQNQOPNHLD-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC001236566767 1099681197 /nfs/dbraw/zinc/68/11/97/1099681197.db2.gz LFRZWCPYYMPNQD-JCNLHEQBSA-N 2 1 316.445 3.430 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236572517 1099685269 /nfs/dbraw/zinc/68/52/69/1099685269.db2.gz QYHLNKUTDIEPHI-SAABIXHNSA-N 3 1 307.526 3.233 20 0 DGADMP CN(C)CC1(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236572517 1099685275 /nfs/dbraw/zinc/68/52/75/1099685275.db2.gz QYHLNKUTDIEPHI-SAABIXHNSA-N 2 1 307.526 3.233 20 0 DGADMP CN(C)CC1(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236572517 1099685277 /nfs/dbraw/zinc/68/52/77/1099685277.db2.gz QYHLNKUTDIEPHI-SAABIXHNSA-N 2 1 307.526 3.233 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599746 1099695384 /nfs/dbraw/zinc/69/53/84/1099695384.db2.gz CPMJYCZCMHXRNI-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599746 1099695389 /nfs/dbraw/zinc/69/53/89/1099695389.db2.gz CPMJYCZCMHXRNI-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cc(C)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1C ZINC001236632891 1099714503 /nfs/dbraw/zinc/71/45/03/1099714503.db2.gz CGQJJLQQDYHAJR-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc(F)c(O)c1 ZINC001236710240 1099752253 /nfs/dbraw/zinc/75/22/53/1099752253.db2.gz LZIYUKZAYMGCRL-JKSUJKDBSA-N 2 1 306.425 3.370 20 0 DGADMP Cc1ccc(C[N@@H+](Cc2ccc(N)nc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236725961 1099760360 /nfs/dbraw/zinc/76/03/60/1099760360.db2.gz FKCGPAGVSVDLIL-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP Cc1cccc(C[N@@H+](Cc2cccc(N)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236741923 1099768329 /nfs/dbraw/zinc/76/83/29/1099768329.db2.gz XMLHQZSVNBWNLE-UAPYVXQJSA-N 2 1 324.472 3.244 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@H]2CCC[NH2+]C2)CC1 ZINC001236756543 1099771666 /nfs/dbraw/zinc/77/16/66/1099771666.db2.gz YGGSWCJCZDMCND-FHWLQOOXSA-N 3 1 307.526 3.138 20 0 DGADMP CN1CCC[C@H](C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754672 1099772112 /nfs/dbraw/zinc/77/21/12/1099772112.db2.gz IOLSHXOLUNEXAD-UFYCRDLUSA-N 2 1 321.553 3.480 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754672 1099772116 /nfs/dbraw/zinc/77/21/16/1099772116.db2.gz IOLSHXOLUNEXAD-UFYCRDLUSA-N 3 1 321.553 3.480 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754672 1099772125 /nfs/dbraw/zinc/77/21/25/1099772125.db2.gz IOLSHXOLUNEXAD-UFYCRDLUSA-N 3 1 321.553 3.480 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754672 1099772130 /nfs/dbraw/zinc/77/21/30/1099772130.db2.gz IOLSHXOLUNEXAD-UFYCRDLUSA-N 3 1 321.553 3.480 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754672 1099772140 /nfs/dbraw/zinc/77/21/40/1099772140.db2.gz IOLSHXOLUNEXAD-UFYCRDLUSA-N 3 1 321.553 3.480 20 0 DGADMP CCC(CC)[N@@H+](C[C@@H](N)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782875 1099780305 /nfs/dbraw/zinc/78/03/05/1099780305.db2.gz LSMFKTRYIDBZTH-BHIYHBOVSA-N 2 1 303.494 3.447 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC001236821564 1099804974 /nfs/dbraw/zinc/80/49/74/1099804974.db2.gz VQJICKWNRQPECD-NUEKZKHPSA-N 2 1 312.379 3.307 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)c1Br ZINC001236825797 1099810439 /nfs/dbraw/zinc/81/04/39/1099810439.db2.gz APUSSXYEMQVNFE-ZNMIVQPWSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)c1Br ZINC001236825797 1099810450 /nfs/dbraw/zinc/81/04/50/1099810450.db2.gz APUSSXYEMQVNFE-ZNMIVQPWSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1c(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC001236826306 1099812350 /nfs/dbraw/zinc/81/23/50/1099812350.db2.gz BQXIFGPYESFLLD-OFQRWUPVSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC001236826306 1099812354 /nfs/dbraw/zinc/81/23/54/1099812354.db2.gz BQXIFGPYESFLLD-OFQRWUPVSA-N 2 1 323.278 3.235 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC)cc1OCC)C[C@H]1CC[NH2+]C1 ZINC001236835859 1099824306 /nfs/dbraw/zinc/82/43/06/1099824306.db2.gz QAUPRKMQUCWKIQ-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP CCC[N@@H+](Cc1cccc(OC(C)C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236844334 1099829175 /nfs/dbraw/zinc/82/91/75/1099829175.db2.gz UFIPBGHBBQHPBA-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1cccc(OC(C)C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236844334 1099829182 /nfs/dbraw/zinc/82/91/82/1099829182.db2.gz UFIPBGHBBQHPBA-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236847324 1099832095 /nfs/dbraw/zinc/83/20/95/1099832095.db2.gz JIHIIHVTONSMRR-ZWKOTPCHSA-N 2 1 316.445 3.142 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236847324 1099832107 /nfs/dbraw/zinc/83/21/07/1099832107.db2.gz JIHIIHVTONSMRR-ZWKOTPCHSA-N 2 1 316.445 3.142 20 0 DGADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001278041344 1099930874 /nfs/dbraw/zinc/93/08/74/1099930874.db2.gz JGNSKMZGXCOGCJ-OAHLLOKOSA-N 2 1 322.493 3.057 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001237041224 1099939464 /nfs/dbraw/zinc/93/94/64/1099939464.db2.gz FEJUWKLZOBJDOT-IBGZPJMESA-N 2 1 324.424 3.269 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056867 1099950862 /nfs/dbraw/zinc/95/08/62/1099950862.db2.gz KOXYODBWRNOBFU-SFHVURJKSA-N 2 1 312.498 3.341 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237060275 1099952624 /nfs/dbraw/zinc/95/26/24/1099952624.db2.gz ZDNSXABHBUYBQB-LJQANCHMSA-N 2 1 318.461 3.203 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001237187732 1100023616 /nfs/dbraw/zinc/02/36/16/1100023616.db2.gz JPZYNRXEILEPRX-HNAYVOBHSA-N 2 1 302.437 3.105 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C12CCCC2 ZINC001237190134 1100026176 /nfs/dbraw/zinc/02/61/76/1100026176.db2.gz CSIUIDNMRUBYDS-OAHLLOKOSA-N 2 1 312.457 3.056 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccncc3C(F)(F)F)C2)CC1 ZINC001237293930 1100064999 /nfs/dbraw/zinc/06/49/99/1100064999.db2.gz IGXDHJSSTYHEDI-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP COc1ccccc1CC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237301316 1100069204 /nfs/dbraw/zinc/06/92/04/1100069204.db2.gz WBIBFWUTHICVSO-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP COc1ccccc1CC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237301316 1100069208 /nfs/dbraw/zinc/06/92/08/1100069208.db2.gz WBIBFWUTHICVSO-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237379909 1100098547 /nfs/dbraw/zinc/09/85/47/1100098547.db2.gz DPUVWBNCZGMNHT-GDBMZVCRSA-N 2 1 312.379 3.322 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c12 ZINC001237383123 1100100919 /nfs/dbraw/zinc/10/09/19/1100100919.db2.gz OJUQGGHHKLWBJT-DOMZBBRYSA-N 2 1 303.837 3.395 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c12 ZINC001237383123 1100100922 /nfs/dbraw/zinc/10/09/22/1100100922.db2.gz OJUQGGHHKLWBJT-DOMZBBRYSA-N 2 1 303.837 3.395 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237394904 1100108371 /nfs/dbraw/zinc/10/83/71/1100108371.db2.gz XAHMIMMGODGKHS-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237394904 1100108377 /nfs/dbraw/zinc/10/83/77/1100108377.db2.gz XAHMIMMGODGKHS-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2)n1 ZINC001237403511 1100112579 /nfs/dbraw/zinc/11/25/79/1100112579.db2.gz KWWNGFPGDHQPJG-SJORKVTESA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2)n1 ZINC001237403511 1100112581 /nfs/dbraw/zinc/11/25/81/1100112581.db2.gz KWWNGFPGDHQPJG-SJORKVTESA-N 2 1 313.470 3.384 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2s1 ZINC001237419015 1100121064 /nfs/dbraw/zinc/12/10/64/1100121064.db2.gz ZAWNIWFGHORSJX-HUUCEWRRSA-N 2 1 301.459 3.179 20 0 DGADMP Cc1nc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2s1 ZINC001237419015 1100121071 /nfs/dbraw/zinc/12/10/71/1100121071.db2.gz ZAWNIWFGHORSJX-HUUCEWRRSA-N 2 1 301.459 3.179 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccn2n1 ZINC001237541515 1100163819 /nfs/dbraw/zinc/16/38/19/1100163819.db2.gz YEABPKNXYFAHPT-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP c1cc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccn2n1 ZINC001237541515 1100163824 /nfs/dbraw/zinc/16/38/24/1100163824.db2.gz YEABPKNXYFAHPT-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3nc(C)co3)CC2)CC1 ZINC001237643920 1100201086 /nfs/dbraw/zinc/20/10/86/1100201086.db2.gz VWZWUGGGGBGSSU-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC001237725701 1100227609 /nfs/dbraw/zinc/22/76/09/1100227609.db2.gz CJFOXZIBYBECJH-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC001237725701 1100227614 /nfs/dbraw/zinc/22/76/14/1100227614.db2.gz CJFOXZIBYBECJH-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC(C)C ZINC001237725701 1100227624 /nfs/dbraw/zinc/22/76/24/1100227624.db2.gz CJFOXZIBYBECJH-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC(C)C ZINC001237725701 1100227632 /nfs/dbraw/zinc/22/76/32/1100227632.db2.gz CJFOXZIBYBECJH-IBGZPJMESA-N 2 1 302.462 3.310 20 0 DGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237881255 1100279828 /nfs/dbraw/zinc/27/98/28/1100279828.db2.gz PNWAYJAODUGWQT-QGZVFWFLSA-N 2 1 300.446 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@]4(CCCO4)C3)cc21 ZINC001237880657 1100280692 /nfs/dbraw/zinc/28/06/92/1100280692.db2.gz HYZUFAGQVFWCGU-HXUWFJFHSA-N 2 1 312.457 3.443 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](C)[C@H]3CO)cc21 ZINC001237880749 1100280841 /nfs/dbraw/zinc/28/08/41/1100280841.db2.gz JXXRTHNFMJLQQQ-HNAYVOBHSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc21 ZINC001237883286 1100282621 /nfs/dbraw/zinc/28/26/21/1100282621.db2.gz VJTNETWCTNTXHH-LJQANCHMSA-N 2 1 300.446 3.035 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@]4(CCO4)C3)cc21 ZINC001237887696 1100282790 /nfs/dbraw/zinc/28/27/90/1100282790.db2.gz WXFUVLQSKYRUCE-HXUWFJFHSA-N 2 1 312.457 3.443 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCOCc1ccccc1)CC2 ZINC001278173585 1100318900 /nfs/dbraw/zinc/31/89/00/1100318900.db2.gz QGJDMWUSJUWCFX-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001190865598 1100355661 /nfs/dbraw/zinc/35/56/61/1100355661.db2.gz YLQXGPSGCFTZFF-RBUKOAKNSA-N 2 1 317.521 3.171 20 0 DGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001238112382 1100365365 /nfs/dbraw/zinc/36/53/65/1100365365.db2.gz DGMSFCLLKZRKBB-LJQANCHMSA-N 2 1 307.397 3.378 20 0 DGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001238112382 1100365373 /nfs/dbraw/zinc/36/53/73/1100365373.db2.gz DGMSFCLLKZRKBB-LJQANCHMSA-N 2 1 307.397 3.378 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC001205545736 1100369951 /nfs/dbraw/zinc/36/99/51/1100369951.db2.gz MTILUIQVKQZJIX-LBPRGKRZSA-N 2 1 321.259 3.164 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC001238449502 1100447679 /nfs/dbraw/zinc/44/76/79/1100447679.db2.gz JEBYOPZBBBYRBO-UHFFFAOYSA-N 2 1 306.425 3.141 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC(C)C)ccc3C)C[C@@H]2C1 ZINC001238483940 1100455095 /nfs/dbraw/zinc/45/50/95/1100455095.db2.gz ZIGALXGXZOIJRX-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC(C)C)ccc3C)C[C@@H]2C1 ZINC001238483940 1100455097 /nfs/dbraw/zinc/45/50/97/1100455097.db2.gz ZIGALXGXZOIJRX-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC(C)C)ccc3C)C[C@@H]2C1 ZINC001238483940 1100455100 /nfs/dbraw/zinc/45/51/00/1100455100.db2.gz ZIGALXGXZOIJRX-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC(C)C)ccc3C)C[C@@H]2C1 ZINC001238483940 1100455102 /nfs/dbraw/zinc/45/51/02/1100455102.db2.gz ZIGALXGXZOIJRX-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)c(C)c3)C[C@H]2C1 ZINC001238618300 1100485673 /nfs/dbraw/zinc/48/56/73/1100485673.db2.gz PLRNPUFKSDCAFZ-WOJBJXKFSA-N 2 1 321.468 3.441 20 0 DGADMP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908497 1100535755 /nfs/dbraw/zinc/53/57/55/1100535755.db2.gz BYJJLLOYKJDADC-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908497 1100535763 /nfs/dbraw/zinc/53/57/63/1100535763.db2.gz BYJJLLOYKJDADC-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001191908497 1100535768 /nfs/dbraw/zinc/53/57/68/1100535768.db2.gz BYJJLLOYKJDADC-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001191908497 1100535773 /nfs/dbraw/zinc/53/57/73/1100535773.db2.gz BYJJLLOYKJDADC-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cncc(Cl)c2Cl)CC1 ZINC001205591437 1100605683 /nfs/dbraw/zinc/60/56/83/1100605683.db2.gz MWCUIJPEUVXWCY-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cncc(Cl)c2Cl)CC1 ZINC001205591437 1100605686 /nfs/dbraw/zinc/60/56/86/1100605686.db2.gz MWCUIJPEUVXWCY-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)cs2)CC[C@@H]1C[NH3+] ZINC001205604705 1100653524 /nfs/dbraw/zinc/65/35/24/1100653524.db2.gz WAJMXXCGUBOWKG-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP COc1c(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205626967 1100726047 /nfs/dbraw/zinc/72/60/47/1100726047.db2.gz LAGGTMMLZMVCHJ-WCQYABFASA-N 2 1 314.832 3.295 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccnc4ccccc43)cn12 ZINC001239852153 1100775993 /nfs/dbraw/zinc/77/59/93/1100775993.db2.gz QYMSPYRCTWDFLT-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP Fc1cc2[nH]ccc2c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001240032886 1100840796 /nfs/dbraw/zinc/84/07/96/1100840796.db2.gz KXFPAPUOLJDQOH-UHFFFAOYSA-N 2 1 306.344 3.309 20 0 DGADMP COc1ccc(F)c(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001240120021 1100871213 /nfs/dbraw/zinc/87/12/13/1100871213.db2.gz ZHSUDJCOQADOJC-UHFFFAOYSA-N 2 1 314.404 3.424 20 0 DGADMP CCCN(CC[NH+]1CCCCC1)C[C@H]1CCCC[N@H+]1C(C)C ZINC001194241833 1100901163 /nfs/dbraw/zinc/90/11/63/1100901163.db2.gz SNYQWSBTMSNXKZ-LJQANCHMSA-N 2 1 309.542 3.447 20 0 DGADMP C[NH+](C)Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001240476405 1101014300 /nfs/dbraw/zinc/01/43/00/1101014300.db2.gz QVAVJRDFLAIFIO-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001195487960 1101148320 /nfs/dbraw/zinc/14/83/20/1101148320.db2.gz MKLYGEXAHXVVRV-PMACEKPBSA-N 2 1 318.505 3.176 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccnc2[nH]cc(C[NH+](C)C)c21 ZINC001241248356 1101317883 /nfs/dbraw/zinc/31/78/83/1101317883.db2.gz GOHZJFXMUCTNOY-UHFFFAOYSA-N 2 1 309.417 3.061 20 0 DGADMP CC(=O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001196546200 1101335986 /nfs/dbraw/zinc/33/59/86/1101335986.db2.gz WTGBDOOKOHCIHT-IBGZPJMESA-N 2 1 314.473 3.198 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1CCC2(CC2)CC1 ZINC001196783216 1101386504 /nfs/dbraw/zinc/38/65/04/1101386504.db2.gz YGNZYRVSVLUYEI-UHFFFAOYSA-N 2 1 308.510 3.247 20 0 DGADMP COCC[N@@H+](C[C@@H](C)C1CCCCC1)CC1CC[NH+](C)CC1 ZINC001196781983 1101399494 /nfs/dbraw/zinc/39/94/94/1101399494.db2.gz LWYXBNJQELCGFE-QGZVFWFLSA-N 2 1 310.526 3.493 20 0 DGADMP CCCc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC001196781470 1101400306 /nfs/dbraw/zinc/40/03/06/1101400306.db2.gz BXSYXWCVJFBVNR-UHFFFAOYSA-N 2 1 318.505 3.429 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(F)c3OC)(C1)CCC2 ZINC001278329606 1101442702 /nfs/dbraw/zinc/44/27/02/1101442702.db2.gz FMALAZXHMTYJSQ-DLBZAZTESA-N 2 1 310.388 3.128 20 0 DGADMP Cc1sc2nc(CN(C)C)nc(C3=CCC[N@@H+](C)C3)c2c1C ZINC001241567426 1101551595 /nfs/dbraw/zinc/55/15/95/1101551595.db2.gz BCJHRBRFAPJCSV-UHFFFAOYSA-N 2 1 316.474 3.089 20 0 DGADMP Cc1sc2nc(CN(C)C)nc(C3=CCCN(C)C3)c2c1C ZINC001241567426 1101551603 /nfs/dbraw/zinc/55/16/03/1101551603.db2.gz BCJHRBRFAPJCSV-UHFFFAOYSA-N 2 1 316.474 3.089 20 0 DGADMP COc1ccc(C2=CCC[N@@H+](C)C2)c(C[NH+]2CCCCC2)c1 ZINC001241572088 1101552754 /nfs/dbraw/zinc/55/27/54/1101552754.db2.gz PNLGMPLVIZKVFW-UHFFFAOYSA-N 2 1 300.446 3.400 20 0 DGADMP CC[NH+](CC)Cc1ccc(-c2ccc(-n3cc[nH+]c3C)nn2)cc1 ZINC001241576220 1101556879 /nfs/dbraw/zinc/55/68/79/1101556879.db2.gz STPYCRZMBZCMEK-UHFFFAOYSA-N 2 1 321.428 3.480 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4c(c3)CCCN4)cn12 ZINC001241835044 1101736568 /nfs/dbraw/zinc/73/65/68/1101736568.db2.gz VUYDUQDIJMQRMP-UHFFFAOYSA-N 2 1 304.397 3.046 20 0 DGADMP [NH3+][C@@H]1CCc2c1cccc2-c1ccccc1C[NH+]1CCOCC1 ZINC001241994161 1101842626 /nfs/dbraw/zinc/84/26/26/1101842626.db2.gz QRGRQUUOHBLFGA-HXUWFJFHSA-N 2 1 308.425 3.132 20 0 DGADMP CC(C)c1[nH+]c(CNCC[NH+]2CCCCC2)c2ccccn21 ZINC001199126659 1102065561 /nfs/dbraw/zinc/06/55/61/1102065561.db2.gz DCCHOYLUYWIVCB-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199144667 1102068676 /nfs/dbraw/zinc/06/86/76/1102068676.db2.gz UTMVDLNCHJFTPT-DFQSSKMNSA-N 2 1 317.521 3.073 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199144667 1102068691 /nfs/dbraw/zinc/06/86/91/1102068691.db2.gz UTMVDLNCHJFTPT-DFQSSKMNSA-N 2 1 317.521 3.073 20 0 DGADMP FC(F)(F)c1ncccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242375345 1102087509 /nfs/dbraw/zinc/08/75/09/1102087509.db2.gz IKOQAFHNIYTGNL-UHFFFAOYSA-N 2 1 318.302 3.102 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC001199275808 1102109657 /nfs/dbraw/zinc/10/96/57/1102109657.db2.gz NRVUFSAHXIGHHW-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC001199275808 1102109664 /nfs/dbraw/zinc/10/96/64/1102109664.db2.gz NRVUFSAHXIGHHW-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC001205863217 1102119497 /nfs/dbraw/zinc/11/94/97/1102119497.db2.gz KDGHJIVMWCBVDB-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC001205863217 1102119502 /nfs/dbraw/zinc/11/95/02/1102119502.db2.gz KDGHJIVMWCBVDB-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC001205862921 1102127594 /nfs/dbraw/zinc/12/75/94/1102127594.db2.gz CLZSVMIEXJHVPV-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC001205862921 1102127597 /nfs/dbraw/zinc/12/75/97/1102127597.db2.gz CLZSVMIEXJHVPV-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904216 1102449508 /nfs/dbraw/zinc/44/95/08/1102449508.db2.gz TTZHNUVOIWZKFO-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904216 1102449514 /nfs/dbraw/zinc/44/95/14/1102449514.db2.gz TTZHNUVOIWZKFO-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP CCOc1ccc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001242936353 1102428529 /nfs/dbraw/zinc/42/85/29/1102428529.db2.gz MSNPWJLTVNBNEI-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP CCCOc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243128315 1102539284 /nfs/dbraw/zinc/53/92/84/1102539284.db2.gz FLXURFXAPDEZJL-UHFFFAOYSA-N 2 1 307.397 3.477 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H]1CC=CCC1)C2 ZINC001201410851 1102594913 /nfs/dbraw/zinc/59/49/13/1102594913.db2.gz MSZDAOSGUOSEIH-SXLOBPIMSA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001201410851 1102594919 /nfs/dbraw/zinc/59/49/19/1102594919.db2.gz MSZDAOSGUOSEIH-SXLOBPIMSA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201410851 1102594928 /nfs/dbraw/zinc/59/49/28/1102594928.db2.gz MSZDAOSGUOSEIH-SXLOBPIMSA-N 2 1 318.505 3.023 20 0 DGADMP CC(C)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001201471283 1102623465 /nfs/dbraw/zinc/62/34/65/1102623465.db2.gz PYKYHVLDCAPMAF-UHFFFAOYSA-N 2 1 301.478 3.414 20 0 DGADMP CCC[C@@H](C)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001201543364 1102632071 /nfs/dbraw/zinc/63/20/71/1102632071.db2.gz FFYCHJSWLBGOAD-QGZVFWFLSA-N 2 1 318.509 3.163 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201543268 1102632358 /nfs/dbraw/zinc/63/23/58/1102632358.db2.gz OPDIFJGTFMFWBT-IRXDYDNUSA-N 2 1 324.509 3.162 20 0 DGADMP [NH3+][C@H]1CCCC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001205924837 1102684688 /nfs/dbraw/zinc/68/46/88/1102684688.db2.gz UICMKVPVTPFZGU-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@H]1CCCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001205924837 1102684692 /nfs/dbraw/zinc/68/46/92/1102684692.db2.gz UICMKVPVTPFZGU-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP CSCCC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201689035 1102708025 /nfs/dbraw/zinc/70/80/25/1102708025.db2.gz SSMMBBZKGMFGAW-UHFFFAOYSA-N 2 1 319.518 3.123 20 0 DGADMP CC(C)Oc1ccc(F)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001243443545 1102725835 /nfs/dbraw/zinc/72/58/35/1102725835.db2.gz MDSLXRXTKSBYFI-UHFFFAOYSA-N 2 1 315.392 3.085 20 0 DGADMP CC(C)n1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC001201946464 1102766310 /nfs/dbraw/zinc/76/63/10/1102766310.db2.gz DOCXSTDIXSWJOU-RDJZCZTQSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC001201946464 1102766319 /nfs/dbraw/zinc/76/63/19/1102766319.db2.gz DOCXSTDIXSWJOU-RDJZCZTQSA-N 2 1 304.482 3.207 20 0 DGADMP C/C=C\C[C@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001202100736 1102829914 /nfs/dbraw/zinc/82/99/14/1102829914.db2.gz AMFJEKCAKCYPCI-OOFWQKGWSA-N 2 1 304.478 3.061 20 0 DGADMP CC(C)(C)CC[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001202073561 1102834937 /nfs/dbraw/zinc/83/49/37/1102834937.db2.gz QZDFCYFIWMNVAK-MSOLQXFVSA-N 2 1 301.478 3.272 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CCCC1)[C@@H]2C ZINC001202161928 1102864183 /nfs/dbraw/zinc/86/41/83/1102864183.db2.gz YMTUVTHLUGMRKH-OAHLLOKOSA-N 2 1 304.482 3.290 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CCCC1)[C@@H]2C ZINC001202161928 1102864193 /nfs/dbraw/zinc/86/41/93/1102864193.db2.gz YMTUVTHLUGMRKH-OAHLLOKOSA-N 2 1 304.482 3.290 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CCCC1)[C@@H]2C ZINC001202161928 1102864208 /nfs/dbraw/zinc/86/42/08/1102864208.db2.gz YMTUVTHLUGMRKH-OAHLLOKOSA-N 2 1 304.482 3.290 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CCCC1)[C@@H]2C ZINC001202161928 1102864222 /nfs/dbraw/zinc/86/42/22/1102864222.db2.gz YMTUVTHLUGMRKH-OAHLLOKOSA-N 2 1 304.482 3.290 20 0 DGADMP [NH3+]C1CC[NH+](Cc2cccc(-c3cccc4nc[nH]c43)c2)CC1 ZINC001243936127 1103064918 /nfs/dbraw/zinc/06/49/18/1103064918.db2.gz OLGCXWCBAPBCMK-UHFFFAOYSA-N 2 1 306.413 3.153 20 0 DGADMP COc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)c1C ZINC001243998010 1103119145 /nfs/dbraw/zinc/11/91/45/1103119145.db2.gz JLBRUIGSCYFQOH-UHFFFAOYSA-N 2 1 307.397 3.314 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001326236397 1103241645 /nfs/dbraw/zinc/24/16/45/1103241645.db2.gz HXARMRJEUKVFMN-HOTGVXAUSA-N 2 1 308.416 3.219 20 0 DGADMP COCc1ccc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001244170657 1103251351 /nfs/dbraw/zinc/25/13/51/1103251351.db2.gz DNBPTNWDEPQRAE-UHFFFAOYSA-N 2 1 307.397 3.143 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)C2 ZINC001326322817 1103271418 /nfs/dbraw/zinc/27/14/18/1103271418.db2.gz OHKBPLJNYGRXSB-JQHSSLGASA-N 2 1 302.462 3.015 20 0 DGADMP Cc1ccnc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)c1 ZINC001276320001 1103489966 /nfs/dbraw/zinc/48/99/66/1103489966.db2.gz MZLVHCFMAZQOBY-HXUWFJFHSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)c1 ZINC001276320001 1103489977 /nfs/dbraw/zinc/48/99/77/1103489977.db2.gz MZLVHCFMAZQOBY-HXUWFJFHSA-N 2 1 324.472 3.206 20 0 DGADMP Fc1cncc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001276336905 1103509570 /nfs/dbraw/zinc/50/95/70/1103509570.db2.gz UQBMCVBTSLKXRM-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001327144987 1103550340 /nfs/dbraw/zinc/55/03/40/1103550340.db2.gz BMSAZBJALVHWNM-ROUUACIJSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC001327723181 1103715602 /nfs/dbraw/zinc/71/56/02/1103715602.db2.gz UAFAYGRFZZCROR-UONOGXRCSA-N 2 1 318.440 3.168 20 0 DGADMP c1ccc(N2CCN(CCC[N@H+]3CC4CCC3CC4)CC2)cc1 ZINC001327871735 1103749349 /nfs/dbraw/zinc/74/93/49/1103749349.db2.gz BSJVJYLDLUAWRE-UHFFFAOYSA-N 2 1 313.489 3.073 20 0 DGADMP c1ccc(N2CC[NH+](CCC[N@@H+]3CC4CCC3CC4)CC2)cc1 ZINC001327871735 1103749357 /nfs/dbraw/zinc/74/93/57/1103749357.db2.gz BSJVJYLDLUAWRE-UHFFFAOYSA-N 2 1 313.489 3.073 20 0 DGADMP c1ccc(N2CC[NH+](CCC[N@H+]3CC4CCC3CC4)CC2)cc1 ZINC001327871735 1103749366 /nfs/dbraw/zinc/74/93/66/1103749366.db2.gz BSJVJYLDLUAWRE-UHFFFAOYSA-N 2 1 313.489 3.073 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202502163 1103831406 /nfs/dbraw/zinc/83/14/06/1103831406.db2.gz GMUITZGYBGNFMS-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(C[NH3+])cc3)sc2C1 ZINC001328412638 1103936758 /nfs/dbraw/zinc/93/67/58/1103936758.db2.gz KCHKQLRMENUSFM-GFCCVEGCSA-N 2 1 301.459 3.016 20 0 DGADMP CCOC(=[NH2+])c1ccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245426222 1104049111 /nfs/dbraw/zinc/04/91/11/1104049111.db2.gz HWPCWTKGGMZYQR-SFHVURJKSA-N 2 1 314.429 3.317 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC001329022663 1104126213 /nfs/dbraw/zinc/12/62/13/1104126213.db2.gz HBVOJCFEUCPTAS-VHSXEESVSA-N 2 1 303.219 3.237 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001329433413 1104264941 /nfs/dbraw/zinc/26/49/41/1104264941.db2.gz NQHNWAGMKGCEKV-MSOLQXFVSA-N 2 1 313.489 3.108 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc4cncn4c3)cc2)CC1 ZINC001245896825 1104295200 /nfs/dbraw/zinc/29/52/00/1104295200.db2.gz HMOONENLCWEFOR-UHFFFAOYSA-N 2 1 320.440 3.172 20 0 DGADMP CC/C=C\CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001329571948 1104322606 /nfs/dbraw/zinc/32/26/06/1104322606.db2.gz JBAUQZWKAOWDIZ-BTFXCVNISA-N 2 1 323.525 3.042 20 0 DGADMP C[C@](O)(C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)c1ccccc1 ZINC001246029698 1104353814 /nfs/dbraw/zinc/35/38/14/1104353814.db2.gz LTXURNNWDLAMIJ-VQTJNVASSA-N 2 1 316.489 3.140 20 0 DGADMP CC(C)(C)[C@H](O)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064388 1104362665 /nfs/dbraw/zinc/36/26/65/1104362665.db2.gz CWIWUXCKHBBVTC-KZNAEPCWSA-N 2 1 322.468 3.305 20 0 DGADMP CCC[C@H](O)C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069106 1104365146 /nfs/dbraw/zinc/36/51/46/1104365146.db2.gz KQHCBBIRXJRWEL-FHWLQOOXSA-N 2 1 304.478 3.228 20 0 DGADMP CCC(CC)[N@@H+](C[C@@]1(O)CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001246065783 1104365903 /nfs/dbraw/zinc/36/59/03/1104365903.db2.gz JFEPDITYBHEMDN-VQIMIIECSA-N 2 1 304.478 3.353 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2OC)C[C@H](CC)[NH2+]1 ZINC001246073530 1104366605 /nfs/dbraw/zinc/36/66/05/1104366605.db2.gz FWGUYGWENVGVPL-ZSHCYNCHSA-N 2 1 306.450 3.103 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2ccc(Br)cc2F)CC[NH2+]1 ZINC001246075274 1104368790 /nfs/dbraw/zinc/36/87/90/1104368790.db2.gz IFGKHCFHPXFOJG-GFCCVEGCSA-N 2 1 315.230 3.208 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccccc2OC(F)(F)F)C[C@@H](C)[NH2+]1 ZINC001246076375 1104371279 /nfs/dbraw/zinc/37/12/79/1104371279.db2.gz MVIHRSHDASDIDH-GHMZBOCLSA-N 2 1 302.340 3.204 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001329732106 1104373499 /nfs/dbraw/zinc/37/34/99/1104373499.db2.gz SKAJOIJSIQLSNX-SQNIBIBYSA-N 2 1 304.478 3.207 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086788 1104377355 /nfs/dbraw/zinc/37/73/55/1104377355.db2.gz VZJIGJSXDOVHHX-OBJOEFQTSA-N 2 1 316.367 3.246 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]CCCC[NH+]2CCNCC2)CC1 ZINC001246090305 1104380093 /nfs/dbraw/zinc/38/00/93/1104380093.db2.gz WGJHTIMVQXKASL-UHFFFAOYSA-N 2 1 309.542 3.256 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246094163 1104382103 /nfs/dbraw/zinc/38/21/03/1104382103.db2.gz ZSBYLYBRGSGKNL-TZMCWYRMSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246092994 1104382170 /nfs/dbraw/zinc/38/21/70/1104382170.db2.gz UHORYTVWGGWLAQ-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H]1C[C@H](NC[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104934 1104389114 /nfs/dbraw/zinc/38/91/14/1104389114.db2.gz AEXZFBXDHSQTIP-RAUXBKROSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC001246104934 1104389124 /nfs/dbraw/zinc/38/91/24/1104389124.db2.gz AEXZFBXDHSQTIP-RAUXBKROSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC001246104934 1104389133 /nfs/dbraw/zinc/38/91/33/1104389133.db2.gz AEXZFBXDHSQTIP-RAUXBKROSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC001246104934 1104389143 /nfs/dbraw/zinc/38/91/43/1104389143.db2.gz AEXZFBXDHSQTIP-RAUXBKROSA-N 3 1 315.505 3.017 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246110279 1104389508 /nfs/dbraw/zinc/38/95/08/1104389508.db2.gz HZYLFYQITVTFQC-YTQUADARSA-N 2 1 319.468 3.049 20 0 DGADMP c1ccc(C[C@H]2C[C@H]([NH2+][C@@H]3CCOc4ccccc43)CC[NH2+]2)cc1 ZINC001246116289 1104393789 /nfs/dbraw/zinc/39/37/89/1104393789.db2.gz YKCJRLGKWUHQOW-WSTZPKSXSA-N 2 1 322.452 3.463 20 0 DGADMP CCCCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001329837636 1104397744 /nfs/dbraw/zinc/39/77/44/1104397744.db2.gz IVUGYLZQLPDSBW-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246129646 1104399455 /nfs/dbraw/zinc/39/94/55/1104399455.db2.gz GVUJAQJJJLHRFX-HIFRSBDPSA-N 2 1 308.491 3.412 20 0 DGADMP CCCCCC[C@@H](CCC)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246130151 1104399695 /nfs/dbraw/zinc/39/96/95/1104399695.db2.gz YDYTYOSFIMEJBZ-SJLPKXTDSA-N 2 1 312.498 3.400 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)CC2 ZINC001246136050 1104401288 /nfs/dbraw/zinc/40/12/88/1104401288.db2.gz QYJRWXGLPDXTFQ-OCBCSQNSSA-N 2 1 320.864 3.080 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC001246295370 1104477039 /nfs/dbraw/zinc/47/70/39/1104477039.db2.gz WEBXLMFPZXMBFS-VHSXEESVSA-N 2 1 303.219 3.237 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246157769 1104410332 /nfs/dbraw/zinc/41/03/32/1104410332.db2.gz DTADICBWBJREMD-UONOGXRCSA-N 2 1 304.331 3.465 20 0 DGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160869 1104411492 /nfs/dbraw/zinc/41/14/92/1104411492.db2.gz PNZCRJHKBMCFAG-FFZOFVMBSA-N 2 1 316.489 3.071 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246166335 1104415133 /nfs/dbraw/zinc/41/51/33/1104415133.db2.gz PRUBVBVRSGPBNB-APWZRJJASA-N 2 1 313.420 3.299 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[NH2+]1 ZINC001246177633 1104422328 /nfs/dbraw/zinc/42/23/28/1104422328.db2.gz JJLKGCOACXEAQG-SJORKVTESA-N 2 1 318.461 3.262 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246178119 1104422846 /nfs/dbraw/zinc/42/28/46/1104422846.db2.gz NMNQOHJZBAFNTE-PMACEKPBSA-N 3 1 315.505 3.463 20 0 DGADMP [NH3+]CCCN(C1CCCCC1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246178119 1104422853 /nfs/dbraw/zinc/42/28/53/1104422853.db2.gz NMNQOHJZBAFNTE-PMACEKPBSA-N 2 1 315.505 3.463 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[NH2+]1 ZINC001246177351 1104422907 /nfs/dbraw/zinc/42/29/07/1104422907.db2.gz JJLKGCOACXEAQG-IRXDYDNUSA-N 2 1 318.461 3.262 20 0 DGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329923876 1104427528 /nfs/dbraw/zinc/42/75/28/1104427528.db2.gz QBTVWUKXULCXBV-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246187397 1104428351 /nfs/dbraw/zinc/42/83/51/1104428351.db2.gz ZPBFZOWANWFEEU-DOMZBBRYSA-N 2 1 318.358 3.318 20 0 DGADMP CC[C@@H]1CC(NCC[N@@H+](C)Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246194209 1104432358 /nfs/dbraw/zinc/43/23/58/1104432358.db2.gz GNFLBFWTEMLPSN-QZTJIDSGSA-N 2 1 303.494 3.017 20 0 DGADMP CCCC(CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246201796 1104435858 /nfs/dbraw/zinc/43/58/58/1104435858.db2.gz JQXDXQGDMBBSHA-HNNXBMFYSA-N 2 1 300.487 3.384 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246222363 1104445015 /nfs/dbraw/zinc/44/50/15/1104445015.db2.gz QTARRQIPWAPBBK-WFASDCNBSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246232343 1104449392 /nfs/dbraw/zinc/44/93/92/1104449392.db2.gz QWSLMHJRRBYUSI-QWRGUYRKSA-N 2 1 320.786 3.245 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246231064 1104449480 /nfs/dbraw/zinc/44/94/80/1104449480.db2.gz NYLIHKLEHJXBHG-AAEUAGOBSA-N 2 1 302.796 3.105 20 0 DGADMP CC[C@H](C)[C@H]([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)C(=O)OC(C)(C)C ZINC001246242375 1104455158 /nfs/dbraw/zinc/45/51/58/1104455158.db2.gz FIXOGUOWZPDBBJ-JYJNAYRXSA-N 2 1 324.509 3.255 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246269334 1104467011 /nfs/dbraw/zinc/46/70/11/1104467011.db2.gz QUNZNMZXWLYIBY-DLBZAZTESA-N 2 1 314.860 3.357 20 0 DGADMP COc1cc(F)cc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246317367 1104485983 /nfs/dbraw/zinc/48/59/83/1104485983.db2.gz MGCQLGSTWORACM-INIZCTEOSA-N 2 1 306.425 3.379 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000718057948 1104492183 /nfs/dbraw/zinc/49/21/83/1104492183.db2.gz ZEJCNIWTYQEKSI-ZWKOTPCHSA-N 2 1 302.462 3.054 20 0 DGADMP COC(=O)[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CC[NH2+]CC1 ZINC001246328296 1104493308 /nfs/dbraw/zinc/49/33/08/1104493308.db2.gz KZBWCMFMSBHTCL-QGZVFWFLSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246332644 1104496167 /nfs/dbraw/zinc/49/61/67/1104496167.db2.gz QUVLCDPADZWXQS-JMSVASOKSA-N 2 1 316.367 3.246 20 0 DGADMP CCCCCCOC(=O)CCCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246339732 1104498959 /nfs/dbraw/zinc/49/89/59/1104498959.db2.gz GRQGMOHWBHWDDR-IAGOWNOFSA-N 2 1 312.498 3.400 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)CC2 ZINC001246342998 1104499372 /nfs/dbraw/zinc/49/93/72/1104499372.db2.gz DJNUTQQHUZZTPY-ZBEGNZNMSA-N 2 1 310.869 3.169 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246353235 1104503813 /nfs/dbraw/zinc/50/38/13/1104503813.db2.gz YNJQZMYOKDKBBD-PLVUELBSSA-N 2 1 314.807 3.422 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)CCC1 ZINC001246361380 1104507619 /nfs/dbraw/zinc/50/76/19/1104507619.db2.gz KVJLLGJPYTZFOA-WBVHZDCISA-N 2 1 302.462 3.441 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246360735 1104507711 /nfs/dbraw/zinc/50/77/11/1104507711.db2.gz JHYBQCVIGYQRKG-GPJFCIFZSA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246360735 1104507716 /nfs/dbraw/zinc/50/77/16/1104507716.db2.gz JHYBQCVIGYQRKG-GPJFCIFZSA-N 3 1 319.537 3.153 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)CCC1 ZINC001246361379 1104508319 /nfs/dbraw/zinc/50/83/19/1104508319.db2.gz KVJLLGJPYTZFOA-RDJZCZTQSA-N 2 1 302.462 3.441 20 0 DGADMP CC(C)[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246360710 1104508572 /nfs/dbraw/zinc/50/85/72/1104508572.db2.gz IMQPBTLVFSJSKU-QYZOEREBSA-N 2 1 307.526 3.007 20 0 DGADMP CC[C@@H]1CC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246360064 1104508589 /nfs/dbraw/zinc/50/85/89/1104508589.db2.gz IGGJLMHRHOYBMN-BRWVUGGUSA-N 2 1 307.526 3.292 20 0 DGADMP COc1ccc(C2([NH2+][C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246363460 1104509865 /nfs/dbraw/zinc/50/98/65/1104509865.db2.gz SJLPWCQYXMILDA-RDJZCZTQSA-N 2 1 302.462 3.441 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246364152 1104510215 /nfs/dbraw/zinc/51/02/15/1104510215.db2.gz SYEYQGUHFZOHDD-AABGKKOBSA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246364152 1104510217 /nfs/dbraw/zinc/51/02/17/1104510217.db2.gz SYEYQGUHFZOHDD-AABGKKOBSA-N 3 1 319.537 3.153 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC001246367807 1104511150 /nfs/dbraw/zinc/51/11/50/1104511150.db2.gz SADRWFLCQMUQPN-QFBILLFUSA-N 3 1 307.526 3.009 20 0 DGADMP COc1cccc(C2([NH2+][C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c1 ZINC001246365440 1104511215 /nfs/dbraw/zinc/51/12/15/1104511215.db2.gz ZTMRSQWPKJCAOB-WBVHZDCISA-N 2 1 302.462 3.441 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246365550 1104512006 /nfs/dbraw/zinc/51/20/06/1104512006.db2.gz YSUORJWQERERCO-IRXDYDNUSA-N 2 1 307.526 3.151 20 0 DGADMP C([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383537 1104518895 /nfs/dbraw/zinc/51/88/95/1104518895.db2.gz GUULPNTXVBHICM-SFHVURJKSA-N 3 1 319.537 3.153 20 0 DGADMP C([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383537 1104518904 /nfs/dbraw/zinc/51/89/04/1104518904.db2.gz GUULPNTXVBHICM-SFHVURJKSA-N 3 1 319.537 3.153 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246392860 1104522690 /nfs/dbraw/zinc/52/26/90/1104522690.db2.gz OQDLGQNCQFUVSX-FZMZJTMJSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC[NH2+]1 ZINC001246393887 1104524097 /nfs/dbraw/zinc/52/40/97/1104524097.db2.gz LGVQPKHKHUYCPH-DGFSRKRXSA-N 2 1 313.367 3.282 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246402247 1104526948 /nfs/dbraw/zinc/52/69/48/1104526948.db2.gz TZNYYHCBQZMTDT-JQHSSLGASA-N 2 1 318.461 3.006 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246416767 1104532834 /nfs/dbraw/zinc/53/28/34/1104532834.db2.gz LQQZITJBRFMVMV-QMTMVMCOSA-N 2 1 324.509 3.255 20 0 DGADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)O1 ZINC001246413725 1104532853 /nfs/dbraw/zinc/53/28/53/1104532853.db2.gz PSOQJPSRACGRPN-KZNAEPCWSA-N 2 1 302.462 3.069 20 0 DGADMP CC(C)COCC[C@H](C)[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246428264 1104535775 /nfs/dbraw/zinc/53/57/75/1104535775.db2.gz HJRZWQVOYWPNFE-INIZCTEOSA-N 2 1 322.468 3.445 20 0 DGADMP FC(F)(F)c1cccc(CC2(C[NH2+][C@@H]3CC[NH2+]C3)CCC2)c1 ZINC001246431107 1104536600 /nfs/dbraw/zinc/53/66/00/1104536600.db2.gz BOAVUOOHXCVQRC-OAHLLOKOSA-N 2 1 312.379 3.370 20 0 DGADMP C[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC001246454633 1104544097 /nfs/dbraw/zinc/54/40/97/1104544097.db2.gz FIBBLZMFEFCQBU-AZUAARDMSA-N 2 1 315.505 3.161 20 0 DGADMP COCOCCC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274935663 1104547965 /nfs/dbraw/zinc/54/79/65/1104547965.db2.gz ZGBHVYBOQVUPKU-IBGZPJMESA-N 2 1 324.509 3.118 20 0 DGADMP COCOCCC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001274935663 1104547973 /nfs/dbraw/zinc/54/79/73/1104547973.db2.gz ZGBHVYBOQVUPKU-IBGZPJMESA-N 2 1 324.509 3.118 20 0 DGADMP COCOCCC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001274935663 1104547976 /nfs/dbraw/zinc/54/79/76/1104547976.db2.gz ZGBHVYBOQVUPKU-IBGZPJMESA-N 2 1 324.509 3.118 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(C(F)(F)F)c1 ZINC001274952768 1104552842 /nfs/dbraw/zinc/55/28/42/1104552842.db2.gz IYYDGUSRKYRLND-MQVJKMGUSA-N 2 1 312.379 3.463 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@H]3CCc4ccccc4O3)CC[NH2+]2)cc1 ZINC001246469643 1104553504 /nfs/dbraw/zinc/55/35/04/1104553504.db2.gz FCRUCKDTYWXGKJ-VAMGGRTRSA-N 2 1 322.452 3.463 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1CC[NH2+]C1CCc2ccccc2CC1 ZINC001246483403 1104560993 /nfs/dbraw/zinc/56/09/93/1104560993.db2.gz SYPSRHWMLTTXBI-INIZCTEOSA-N 2 1 308.416 3.159 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246485332 1104561650 /nfs/dbraw/zinc/56/16/50/1104561650.db2.gz IFONWZWYKAPENU-TZMCWYRMSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246488933 1104562677 /nfs/dbraw/zinc/56/26/77/1104562677.db2.gz OQBXVYNPZBZPAP-JSGCOSHPSA-N 2 1 316.823 3.496 20 0 DGADMP CCCC(C[NH3+])(CCC)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001246494106 1104564185 /nfs/dbraw/zinc/56/41/85/1104564185.db2.gz DEWYNMXMKBEVQJ-AYHJJNSGSA-N 2 1 307.526 3.279 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001246495754 1104564228 /nfs/dbraw/zinc/56/42/28/1104564228.db2.gz LJEJKPIRZCNGRG-MRXNPFEDSA-N 2 1 304.478 3.440 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@H]1C[C@@H]3C[NH2+][C@H]1C3)CC2 ZINC001246497271 1104564576 /nfs/dbraw/zinc/56/45/76/1104564576.db2.gz XGOWRKBCUMXISS-RCYILOBPSA-N 2 1 311.256 3.191 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001246495218 1104564791 /nfs/dbraw/zinc/56/47/91/1104564791.db2.gz IEZXNUUIUXEROP-UHFFFAOYSA-N 2 1 312.498 3.386 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246495623 1104565084 /nfs/dbraw/zinc/56/50/84/1104565084.db2.gz KUINAIPQKIUOGK-HONMWMINSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001246499758 1104566684 /nfs/dbraw/zinc/56/66/84/1104566684.db2.gz DVZQMROVMDOEAK-JJXSEGSLSA-N 2 1 312.498 3.240 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246498481 1104567272 /nfs/dbraw/zinc/56/72/72/1104567272.db2.gz RXRPEXLFRAWYBW-ZWKOTPCHSA-N 3 1 307.526 3.282 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246508770 1104570281 /nfs/dbraw/zinc/57/02/81/1104570281.db2.gz CGAKFLQZJYAMMX-XWTMOSNGSA-N 3 1 307.526 3.340 20 0 DGADMP CCOc1cc(F)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(F)c1 ZINC001274999063 1104574148 /nfs/dbraw/zinc/57/41/48/1104574148.db2.gz NSABDVWODGKCMK-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCOc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(F)c1 ZINC001274999063 1104574152 /nfs/dbraw/zinc/57/41/52/1104574152.db2.gz NSABDVWODGKCMK-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N[C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246516324 1104574722 /nfs/dbraw/zinc/57/47/22/1104574722.db2.gz VKTDCKCRSMZQBK-ROUUACIJSA-N 2 1 319.537 3.438 20 0 DGADMP CCCCC[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C(=O)OC ZINC001246527447 1104577236 /nfs/dbraw/zinc/57/72/36/1104577236.db2.gz YDGJLEFLJPCHGU-INIZCTEOSA-N 2 1 310.482 3.010 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC[NH2+]1 ZINC001246533992 1104579416 /nfs/dbraw/zinc/57/94/16/1104579416.db2.gz PHLOFQPOCITEBB-SJORKVTESA-N 2 1 321.896 3.301 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246529406 1104580280 /nfs/dbraw/zinc/58/02/80/1104580280.db2.gz KWIOVCKEZNYWHC-MOPGFXCFSA-N 2 1 315.505 3.284 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246535590 1104582182 /nfs/dbraw/zinc/58/21/82/1104582182.db2.gz IZXNHUVSXKLDMR-RDJZCZTQSA-N 2 1 304.478 3.479 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c1 ZINC001246536421 1104582521 /nfs/dbraw/zinc/58/25/21/1104582521.db2.gz FEEUUESKJWBLJG-RTBURBONSA-N 2 1 315.505 3.284 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C)CC2)CC[NH2+]1 ZINC001246537565 1104584145 /nfs/dbraw/zinc/58/41/45/1104584145.db2.gz KQFBSPIRZWNYIP-MOPGFXCFSA-N 2 1 315.505 3.428 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@@H]2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246542407 1104584886 /nfs/dbraw/zinc/58/48/86/1104584886.db2.gz QFXAMTJTEJPJSU-PIKOESSRSA-N 2 1 315.505 3.241 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001246545525 1104587218 /nfs/dbraw/zinc/58/72/18/1104587218.db2.gz BQMSRLZEOUSXPD-KURKYZTESA-N 2 1 306.425 3.060 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246546048 1104587487 /nfs/dbraw/zinc/58/74/87/1104587487.db2.gz FCHIMGBAXQREQU-PBHICJAKSA-N 2 1 310.844 3.350 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545705 1104588536 /nfs/dbraw/zinc/58/85/36/1104588536.db2.gz HXHKVNOUIUBEEK-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545705 1104588542 /nfs/dbraw/zinc/58/85/42/1104588542.db2.gz HXHKVNOUIUBEEK-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001275039946 1104589520 /nfs/dbraw/zinc/58/95/20/1104589520.db2.gz FCRJUKDOWDLMMS-FQEVSTJZSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001275039946 1104589525 /nfs/dbraw/zinc/58/95/25/1104589525.db2.gz FCRJUKDOWDLMMS-FQEVSTJZSA-N 2 1 309.457 3.395 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001275039946 1104589529 /nfs/dbraw/zinc/58/95/29/1104589529.db2.gz FCRJUKDOWDLMMS-FQEVSTJZSA-N 2 1 309.457 3.395 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1C[NH3+] ZINC001246550138 1104590646 /nfs/dbraw/zinc/59/06/46/1104590646.db2.gz IWDLYSLWVVUPAA-CABCVRRESA-N 2 1 321.896 3.226 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)CC2 ZINC001246553118 1104590866 /nfs/dbraw/zinc/59/08/66/1104590866.db2.gz RQAIQKHIPCMWRH-MELADBBJSA-N 2 1 322.880 3.123 20 0 DGADMP Oc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)nc1 ZINC001275046844 1104592207 /nfs/dbraw/zinc/59/22/07/1104592207.db2.gz FEYPBPHKOHTPAZ-RBUKOAKNSA-N 2 1 315.461 3.254 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246555077 1104592843 /nfs/dbraw/zinc/59/28/43/1104592843.db2.gz BLNYHRLTZLKYPE-ZIAGYGMSSA-N 2 1 314.445 3.392 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246555077 1104592848 /nfs/dbraw/zinc/59/28/48/1104592848.db2.gz BLNYHRLTZLKYPE-ZIAGYGMSSA-N 2 1 314.445 3.392 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](CC(C)(C)C)CC3)n(C)n1 ZINC001275051279 1104594313 /nfs/dbraw/zinc/59/43/13/1104594313.db2.gz VGCGXKUFOHQPJB-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CC[C@@H]1C[NH3+] ZINC001246558145 1104594585 /nfs/dbraw/zinc/59/45/85/1104594585.db2.gz MFXNCVXNGJXUOZ-HZPDHXFCSA-N 2 1 324.509 3.005 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001246557669 1104594974 /nfs/dbraw/zinc/59/49/74/1104594974.db2.gz NDGBTTAFIVGHES-LCLWPZTBSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3cccc(F)c3)CC2)CC[C@@H]1C[NH3+] ZINC001246560647 1104595065 /nfs/dbraw/zinc/59/50/65/1104595065.db2.gz RIXBBDBBPQVASX-JKSUJKDBSA-N 2 1 319.468 3.101 20 0 DGADMP CC1(C)C[C@@H](N2CCCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246558661 1104595496 /nfs/dbraw/zinc/59/54/96/1104595496.db2.gz LHHFOAKUOLCCHQ-OALUTQOASA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC[C@@H]1C[NH3+] ZINC001246558060 1104595719 /nfs/dbraw/zinc/59/57/19/1104595719.db2.gz MAUIDBLLLZAVKG-IOASZLSFSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CCC[C@H]1C[NH3+] ZINC001246566455 1104597418 /nfs/dbraw/zinc/59/74/18/1104597418.db2.gz IVKVFIIPPXIRTK-INWMFGNUSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001246566723 1104599802 /nfs/dbraw/zinc/59/98/02/1104599802.db2.gz VAGRFRNVBVHLAT-NEWSRXKRSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@H]1C[NH2+]CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246571822 1104600164 /nfs/dbraw/zinc/60/01/64/1104600164.db2.gz NHCBQBGEBIBRIJ-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001246574861 1104601229 /nfs/dbraw/zinc/60/12/29/1104601229.db2.gz JHVQWFKOLLFRCX-NVXWUHKLSA-N 2 1 308.853 3.094 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246581635 1104603578 /nfs/dbraw/zinc/60/35/78/1104603578.db2.gz ZLVWIXVWLKUBOC-YJBOKZPZSA-N 2 1 308.416 3.273 20 0 DGADMP CCC[C@H]1CC[C@H](C2CCC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)CC1 ZINC001246580314 1104604614 /nfs/dbraw/zinc/60/46/14/1104604614.db2.gz MRSYJGLNWVLYOV-IIQJJYERSA-N 2 1 322.537 3.403 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580982 1104604653 /nfs/dbraw/zinc/60/46/53/1104604653.db2.gz OXUXXLAOZOSTMN-YOEHRIQHSA-N 2 1 310.844 3.350 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580982 1104604658 /nfs/dbraw/zinc/60/46/58/1104604658.db2.gz OXUXXLAOZOSTMN-YOEHRIQHSA-N 2 1 310.844 3.350 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001246584431 1104606490 /nfs/dbraw/zinc/60/64/90/1104606490.db2.gz MSRRZWGCGHKSDW-IBGZPJMESA-N 2 1 319.468 3.245 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246589395 1104608674 /nfs/dbraw/zinc/60/86/74/1104608674.db2.gz DDWDPHMRGWTUII-JTDSTZFVSA-N 2 1 324.509 3.208 20 0 DGADMP C[NH2+]CC1C[NH+]([C@@H](C)CCc2ccc3cc(OC)ccc3c2)C1 ZINC001246593270 1104609600 /nfs/dbraw/zinc/60/96/00/1104609600.db2.gz AZZFZORTILNHHN-HNNXBMFYSA-N 2 1 312.457 3.321 20 0 DGADMP CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275074134 1104610619 /nfs/dbraw/zinc/61/06/19/1104610619.db2.gz PVPRLAPHDRXVEP-RBUKOAKNSA-N 2 1 309.542 3.162 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275074136 1104610825 /nfs/dbraw/zinc/61/08/25/1104610825.db2.gz PVPRLAPHDRXVEP-RTBURBONSA-N 2 1 309.542 3.162 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001246595641 1104612052 /nfs/dbraw/zinc/61/20/52/1104612052.db2.gz UFPKAIMTXNYOIZ-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001246595641 1104612055 /nfs/dbraw/zinc/61/20/55/1104612055.db2.gz UFPKAIMTXNYOIZ-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)C[C@H](C)[NH2+]1 ZINC001246593596 1104612393 /nfs/dbraw/zinc/61/23/93/1104612393.db2.gz HKBNHMDCTANBFR-BCDXTJNWSA-N 3 1 307.526 3.151 20 0 DGADMP CC(C)N([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246593751 1104612972 /nfs/dbraw/zinc/61/29/72/1104612972.db2.gz NWTANDBDXHAUFR-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246593751 1104612978 /nfs/dbraw/zinc/61/29/78/1104612978.db2.gz NWTANDBDXHAUFR-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246593751 1104612984 /nfs/dbraw/zinc/61/29/84/1104612984.db2.gz NWTANDBDXHAUFR-WOJBJXKFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599226 1104615727 /nfs/dbraw/zinc/61/57/27/1104615727.db2.gz BICKPMUHYYDQIU-LJQANCHMSA-N 3 1 307.526 3.107 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599226 1104615734 /nfs/dbraw/zinc/61/57/34/1104615734.db2.gz BICKPMUHYYDQIU-LJQANCHMSA-N 3 1 307.526 3.107 20 0 DGADMP CCCN1CCC([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599226 1104615740 /nfs/dbraw/zinc/61/57/40/1104615740.db2.gz BICKPMUHYYDQIU-LJQANCHMSA-N 2 1 307.526 3.107 20 0 DGADMP CCCN1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599226 1104615746 /nfs/dbraw/zinc/61/57/46/1104615746.db2.gz BICKPMUHYYDQIU-LJQANCHMSA-N 2 1 307.526 3.107 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](C)CCCC(C)C)CC[NH2+]CC2 ZINC001246600042 1104616362 /nfs/dbraw/zinc/61/63/62/1104616362.db2.gz FDICOESOQCHRRA-SJORKVTESA-N 2 1 324.509 3.208 20 0 DGADMP CCCCCC1CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246601352 1104618449 /nfs/dbraw/zinc/61/84/49/1104618449.db2.gz JEEMHWJARICION-UHFFFAOYSA-N 2 1 307.526 3.153 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609783 1104623819 /nfs/dbraw/zinc/62/38/19/1104623819.db2.gz NRJRNUDWUBTDGK-SCLBCKFNSA-N 2 1 324.390 3.037 20 0 DGADMP Fc1cc2c(c(F)c1F)C[C@@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609783 1104623823 /nfs/dbraw/zinc/62/38/23/1104623823.db2.gz NRJRNUDWUBTDGK-SCLBCKFNSA-N 2 1 324.390 3.037 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610142 1104624428 /nfs/dbraw/zinc/62/44/28/1104624428.db2.gz KWHOTWBFIWHNJN-CRAIPNDOSA-N 2 1 304.865 3.273 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246611279 1104626587 /nfs/dbraw/zinc/62/65/87/1104626587.db2.gz OPCLKMDSDXXVGP-LPHOPBHVSA-N 2 1 320.427 3.288 20 0 DGADMP COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001275103304 1104628115 /nfs/dbraw/zinc/62/81/15/1104628115.db2.gz ITVJYJGLYWIJSI-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cc(Cl)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001275103304 1104628123 /nfs/dbraw/zinc/62/81/23/1104628123.db2.gz ITVJYJGLYWIJSI-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cc(Cl)cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001275103304 1104628126 /nfs/dbraw/zinc/62/81/26/1104628126.db2.gz ITVJYJGLYWIJSI-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP CC(C)COCC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617566 1104631260 /nfs/dbraw/zinc/63/12/60/1104631260.db2.gz DNWQTNYSERYRKW-HKUYNNGSSA-N 2 1 316.489 3.127 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246617286 1104631497 /nfs/dbraw/zinc/63/14/97/1104631497.db2.gz ILCJESGOECOHGP-CYBMUJFWSA-N 2 1 323.278 3.066 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccnc1C(F)(F)F)CC2 ZINC001275117995 1104632374 /nfs/dbraw/zinc/63/23/74/1104632374.db2.gz QVWGFRIKWSJSSF-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP CCCCCC[C@H](CCCC)[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246624968 1104632657 /nfs/dbraw/zinc/63/26/57/1104632657.db2.gz GQCBSKLEHFFXCV-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC001246624513 1104633004 /nfs/dbraw/zinc/63/30/04/1104633004.db2.gz NLGZNUHKWJIPRX-MBNYWOFBSA-N 2 1 311.256 3.002 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246621764 1104633379 /nfs/dbraw/zinc/63/33/79/1104633379.db2.gz GBSCLCFVEQWYPM-ZMMAXQRCSA-N 2 1 313.489 3.438 20 0 DGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625960 1104634249 /nfs/dbraw/zinc/63/42/49/1104634249.db2.gz QNDYOBHPYQKHAP-BNOWGMLFSA-N 2 1 313.272 3.466 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627827 1104634092 /nfs/dbraw/zinc/63/40/92/1104634092.db2.gz XRNBYPDLCFROEC-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246627827 1104634096 /nfs/dbraw/zinc/63/40/96/1104634096.db2.gz XRNBYPDLCFROEC-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246627955 1104634662 /nfs/dbraw/zinc/63/46/62/1104634662.db2.gz BEAVWCUYEDXFSC-QAPCUYQASA-N 2 1 304.865 3.415 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630930 1104636140 /nfs/dbraw/zinc/63/61/40/1104636140.db2.gz MEGMZIQINMSVJH-IJEWVQPXSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630930 1104636151 /nfs/dbraw/zinc/63/61/51/1104636151.db2.gz MEGMZIQINMSVJH-IJEWVQPXSA-N 2 1 308.491 3.364 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275125810 1104636977 /nfs/dbraw/zinc/63/69/77/1104636977.db2.gz BAGJVOMPZHPFFT-LJQANCHMSA-N 2 1 309.542 3.306 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246632459 1104638609 /nfs/dbraw/zinc/63/86/09/1104638609.db2.gz VJZXZKQZUZBHHW-ROUUACIJSA-N 2 1 304.865 3.273 20 0 DGADMP CCC(CC)[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246634012 1104638980 /nfs/dbraw/zinc/63/89/80/1104638980.db2.gz GPCFQCCMRVQFPP-UHFFFAOYSA-N 2 1 302.462 3.321 20 0 DGADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001246638636 1104640308 /nfs/dbraw/zinc/64/03/08/1104640308.db2.gz NGTXXPSZXJIZIJ-NVXWUHKLSA-N 2 1 308.416 3.247 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001246637452 1104640669 /nfs/dbraw/zinc/64/06/69/1104640669.db2.gz YSDVPKGECVNFFJ-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246636835 1104640959 /nfs/dbraw/zinc/64/09/59/1104640959.db2.gz FTRCZLKKYFQDNZ-CYBMUJFWSA-N 2 1 310.844 3.486 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246641773 1104641612 /nfs/dbraw/zinc/64/16/12/1104641612.db2.gz FNUYYYPTLXYZDZ-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246641773 1104641617 /nfs/dbraw/zinc/64/16/17/1104641617.db2.gz FNUYYYPTLXYZDZ-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246643899 1104642435 /nfs/dbraw/zinc/64/24/35/1104642435.db2.gz OLUMXPZNTKQTIF-RJYAGPCLSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246643899 1104642439 /nfs/dbraw/zinc/64/24/39/1104642439.db2.gz OLUMXPZNTKQTIF-RJYAGPCLSA-N 2 1 322.493 3.105 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCCC13CC[NH2+]CC3)C2 ZINC001246645444 1104644008 /nfs/dbraw/zinc/64/40/08/1104644008.db2.gz MOWXZXPMDATMCX-KRWDZBQOSA-N 2 1 304.865 3.415 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246648196 1104644934 /nfs/dbraw/zinc/64/49/34/1104644934.db2.gz LCWYJUUDRWFFMQ-WOJBJXKFSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648196 1104644940 /nfs/dbraw/zinc/64/49/40/1104644940.db2.gz LCWYJUUDRWFFMQ-WOJBJXKFSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648196 1104644945 /nfs/dbraw/zinc/64/49/45/1104644945.db2.gz LCWYJUUDRWFFMQ-WOJBJXKFSA-N 2 1 316.489 3.242 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246648127 1104645654 /nfs/dbraw/zinc/64/56/54/1104645654.db2.gz KXGWECMLGWPDFO-WOJBJXKFSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648127 1104645658 /nfs/dbraw/zinc/64/56/58/1104645658.db2.gz KXGWECMLGWPDFO-WOJBJXKFSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648127 1104645664 /nfs/dbraw/zinc/64/56/64/1104645664.db2.gz KXGWECMLGWPDFO-WOJBJXKFSA-N 2 1 316.489 3.098 20 0 DGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278460097 1104647616 /nfs/dbraw/zinc/64/76/16/1104647616.db2.gz PXSAPIJNKLKBRV-YQVWRLOYSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001246651166 1104647836 /nfs/dbraw/zinc/64/78/36/1104647836.db2.gz FDEHAMUKEAKUQL-INIZCTEOSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653356 1104649669 /nfs/dbraw/zinc/64/96/69/1104649669.db2.gz SJPYVZGHGCVEEI-IJEWVQPXSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653356 1104649672 /nfs/dbraw/zinc/64/96/72/1104649672.db2.gz SJPYVZGHGCVEEI-IJEWVQPXSA-N 2 1 308.491 3.364 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001246656221 1104651091 /nfs/dbraw/zinc/65/10/91/1104651091.db2.gz CCXHBBYJQWCEOA-OMZYAQQMSA-N 2 1 310.485 3.497 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001246656221 1104651092 /nfs/dbraw/zinc/65/10/92/1104651092.db2.gz CCXHBBYJQWCEOA-OMZYAQQMSA-N 2 1 310.485 3.497 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664080 1104654717 /nfs/dbraw/zinc/65/47/17/1104654717.db2.gz XIMUEJWCNLTCBU-IVMMDQJWSA-N 2 1 323.278 3.193 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664080 1104654722 /nfs/dbraw/zinc/65/47/22/1104654722.db2.gz XIMUEJWCNLTCBU-IVMMDQJWSA-N 2 1 323.278 3.193 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001246667454 1104655816 /nfs/dbraw/zinc/65/58/16/1104655816.db2.gz ZMVCVFKKLWUINU-LSTHTHJFSA-N 2 1 315.505 3.068 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246667454 1104655818 /nfs/dbraw/zinc/65/58/18/1104655818.db2.gz ZMVCVFKKLWUINU-LSTHTHJFSA-N 2 1 315.505 3.068 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246676307 1104657504 /nfs/dbraw/zinc/65/75/04/1104657504.db2.gz BRQXEVDRJYRNHX-UHOSZYNNSA-N 2 1 316.489 3.338 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678458 1104658682 /nfs/dbraw/zinc/65/86/82/1104658682.db2.gz NUAIIOINZJRRML-IAGOWNOFSA-N 3 1 321.553 3.349 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246679321 1104658791 /nfs/dbraw/zinc/65/87/91/1104658791.db2.gz UMBHMKYVEVRMSV-FCGDIQPGSA-N 3 1 307.526 3.009 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+](C)CCC[NH3+])ccc2c1 ZINC001246680109 1104660674 /nfs/dbraw/zinc/66/06/74/1104660674.db2.gz HVNXIECCCAQJNZ-HNNXBMFYSA-N 2 1 300.446 3.450 20 0 DGADMP CN([C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246682445 1104660741 /nfs/dbraw/zinc/66/07/41/1104660741.db2.gz NERDCFUXMFCUBX-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001246691700 1104661457 /nfs/dbraw/zinc/66/14/57/1104661457.db2.gz MBRYVTWXNIQVEA-OLMNPRSZSA-N 2 1 322.855 3.221 20 0 DGADMP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+](C4CCC5(CCCCC5)CC4)C[C@@H]13)O2 ZINC001246687824 1104662052 /nfs/dbraw/zinc/66/20/52/1104662052.db2.gz XHBBOFJWFVBONZ-YVWKXTFCSA-N 2 1 318.505 3.332 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246687942 1104662446 /nfs/dbraw/zinc/66/24/46/1104662446.db2.gz YKYFQYJYTASQNE-IHPCNDPISA-N 2 1 316.489 3.055 20 0 DGADMP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+](C4CCC5(CCCCC5)CC4)C[C@H]13)O2 ZINC001246687821 1104662652 /nfs/dbraw/zinc/66/26/52/1104662652.db2.gz XHBBOFJWFVBONZ-ILZDJORESA-N 2 1 318.505 3.332 20 0 DGADMP C[C@@H]1C[NH2+][C@@H](C)CN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246695247 1104663843 /nfs/dbraw/zinc/66/38/43/1104663843.db2.gz XXGKEJZAZAPENO-SCTDSRPQSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246693901 1104664291 /nfs/dbraw/zinc/66/42/91/1104664291.db2.gz UBUGEODFKBNEAB-NSHDSACASA-N 2 1 317.285 3.273 20 0 DGADMP CCC[N@@H+](Cc1ccccc1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246770287 1104667506 /nfs/dbraw/zinc/66/75/06/1104667506.db2.gz PRJNHSHEYKMUGU-UHFFFAOYSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC001246774082 1104669134 /nfs/dbraw/zinc/66/91/34/1104669134.db2.gz BLOSWOUQVQLXRS-JJLQDPRZSA-N 2 1 311.267 3.410 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779354 1104669157 /nfs/dbraw/zinc/66/91/57/1104669157.db2.gz ZPEBRPOUBRUBDD-STQMWFEESA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779354 1104669160 /nfs/dbraw/zinc/66/91/60/1104669160.db2.gz ZPEBRPOUBRUBDD-STQMWFEESA-N 2 1 311.267 3.051 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246779556 1104670893 /nfs/dbraw/zinc/67/08/93/1104670893.db2.gz LEIMTAMSZWIXLP-IOJLRTSASA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246785779 1104673646 /nfs/dbraw/zinc/67/36/46/1104673646.db2.gz MVGBZBKCGKILIM-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246784607 1104674088 /nfs/dbraw/zinc/67/40/88/1104674088.db2.gz YVQNCHINLVUSFF-NSHGMRRFSA-N 2 1 314.473 3.370 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246787495 1104675190 /nfs/dbraw/zinc/67/51/90/1104675190.db2.gz QKYJLEVMEHWWLR-SFHVURJKSA-N 2 1 300.446 3.062 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246787926 1104675285 /nfs/dbraw/zinc/67/52/85/1104675285.db2.gz SDNQMVIKYIWARU-UHOSZYNNSA-N 2 1 318.436 3.201 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246786348 1104675308 /nfs/dbraw/zinc/67/53/08/1104675308.db2.gz NWFXWQMOGVPDOC-ZCNNSNEGSA-N 2 1 314.473 3.200 20 0 DGADMP Clc1ccc(CO[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246787707 1104675426 /nfs/dbraw/zinc/67/54/26/1104675426.db2.gz LRRIXMIABIXIDW-ZWKOTPCHSA-N 2 1 322.880 3.463 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246788616 1104676291 /nfs/dbraw/zinc/67/62/91/1104676291.db2.gz UXIXEUMYRRSJPE-QYZOEREBSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789221 1104676763 /nfs/dbraw/zinc/67/67/63/1104676763.db2.gz UNCQQJSBZVDMKU-SJORKVTESA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789221 1104676768 /nfs/dbraw/zinc/67/67/68/1104676768.db2.gz UNCQQJSBZVDMKU-SJORKVTESA-N 2 1 320.477 3.446 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792922 1104677510 /nfs/dbraw/zinc/67/75/10/1104677510.db2.gz SITSKFQEJDOHLL-FHWLQOOXSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246791444 1104677816 /nfs/dbraw/zinc/67/78/16/1104677816.db2.gz YOPHUPDILXKDGB-SJLPKXTDSA-N 2 1 300.446 3.062 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC001246794243 1104678860 /nfs/dbraw/zinc/67/88/60/1104678860.db2.gz GINPNDCRZADPTQ-MPTYRVRUSA-N 2 1 324.390 3.493 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246796667 1104681311 /nfs/dbraw/zinc/68/13/11/1104681311.db2.gz JXUAXEPDAVBOLL-GJYPPUQNSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804096 1104682225 /nfs/dbraw/zinc/68/22/25/1104682225.db2.gz LFTYZDZEPNVHFD-NVXWUHKLSA-N 2 1 320.502 3.316 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804096 1104682229 /nfs/dbraw/zinc/68/22/29/1104682229.db2.gz LFTYZDZEPNVHFD-NVXWUHKLSA-N 2 1 320.502 3.316 20 0 DGADMP Cn1cccc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275234102 1104685331 /nfs/dbraw/zinc/68/53/31/1104685331.db2.gz MVZNBSZMAZPFON-UHFFFAOYSA-N 2 1 301.478 3.256 20 0 DGADMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246811521 1104685576 /nfs/dbraw/zinc/68/55/76/1104685576.db2.gz FOACLMJKQCRCIS-BCDXTJNWSA-N 2 1 302.538 3.364 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246812014 1104687400 /nfs/dbraw/zinc/68/74/00/1104687400.db2.gz BUGGBZSKNMWUFM-KRWDZBQOSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246813988 1104688328 /nfs/dbraw/zinc/68/83/28/1104688328.db2.gz NKGGLOVPSLEPKL-RYUDHWBXSA-N 2 1 316.823 3.481 20 0 DGADMP C[N@H+](CCC(=O)c1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246819630 1104690056 /nfs/dbraw/zinc/69/00/56/1104690056.db2.gz DMIRVBMPKVCQLH-AEFFLSMTSA-N 2 1 302.462 3.358 20 0 DGADMP C[N@@H+](CCC(=O)c1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246819630 1104690062 /nfs/dbraw/zinc/69/00/62/1104690062.db2.gz DMIRVBMPKVCQLH-AEFFLSMTSA-N 2 1 302.462 3.358 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])CN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246820697 1104691510 /nfs/dbraw/zinc/69/15/10/1104691510.db2.gz JPNDMYPZEFSTLP-HPUSYDDDSA-N 2 1 315.505 3.240 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246824839 1104693522 /nfs/dbraw/zinc/69/35/22/1104693522.db2.gz QPZUTDNEADIAQI-IUODEOHRSA-N 2 1 322.399 3.000 20 0 DGADMP FC(F)(F)c1ccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246829540 1104694574 /nfs/dbraw/zinc/69/45/74/1104694574.db2.gz LFVQJWOGNYKCPO-PNBKFKSVSA-N 2 1 324.390 3.493 20 0 DGADMP CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275264805 1104697035 /nfs/dbraw/zinc/69/70/35/1104697035.db2.gz FNQHTMBKCMIABJ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275264805 1104697038 /nfs/dbraw/zinc/69/70/38/1104697038.db2.gz FNQHTMBKCMIABJ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275264805 1104697041 /nfs/dbraw/zinc/69/70/41/1104697041.db2.gz FNQHTMBKCMIABJ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275264805 1104697043 /nfs/dbraw/zinc/69/70/43/1104697043.db2.gz FNQHTMBKCMIABJ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246837315 1104698094 /nfs/dbraw/zinc/69/80/94/1104698094.db2.gz DBJQOHSOVWJMJY-JENIJYKNSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC([NH2+]C)CC1 ZINC001246842020 1104703402 /nfs/dbraw/zinc/70/34/02/1104703402.db2.gz SRAWYLXQDZYBFT-SOAGJPPSSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246845478 1104704398 /nfs/dbraw/zinc/70/43/98/1104704398.db2.gz JWPAVZDIPSLYSB-PBHICJAKSA-N 2 1 304.434 3.014 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246845478 1104704405 /nfs/dbraw/zinc/70/44/05/1104704405.db2.gz JWPAVZDIPSLYSB-PBHICJAKSA-N 2 1 304.434 3.014 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246852077 1104706234 /nfs/dbraw/zinc/70/62/34/1104706234.db2.gz OXOSJZXPBWJRFO-NVXWUHKLSA-N 2 1 320.864 3.325 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848567 1104707148 /nfs/dbraw/zinc/70/71/48/1104707148.db2.gz CIUPVZFUZHQDQY-FRFSOERESA-N 2 1 308.853 3.324 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246848903 1104707778 /nfs/dbraw/zinc/70/77/78/1104707778.db2.gz CVUSRWAHESXTIX-DFGXFYAUSA-N 2 1 320.864 3.466 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246853495 1104709215 /nfs/dbraw/zinc/70/92/15/1104709215.db2.gz MJIPFKMEXZAHQJ-CKEIUWERSA-N 2 1 308.491 3.493 20 0 DGADMP Fc1ccc(OCC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246862635 1104710054 /nfs/dbraw/zinc/71/00/54/1104710054.db2.gz LZUYRRGBIBDNKG-KRWDZBQOSA-N 2 1 306.425 3.059 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246863151 1104710777 /nfs/dbraw/zinc/71/07/77/1104710777.db2.gz KBLFTZXIBLIBBT-BXUZGUMPSA-N 2 1 313.272 3.392 20 0 DGADMP Fc1cccc2c1CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246865603 1104712839 /nfs/dbraw/zinc/71/28/39/1104712839.db2.gz ZLAXQWRSIKXBSU-UHFFFAOYSA-N 2 1 302.437 3.496 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866018 1104713475 /nfs/dbraw/zinc/71/34/75/1104713475.db2.gz XXRNBQLCVNJROR-NEPJUHHUSA-N 2 1 301.261 3.466 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866018 1104713480 /nfs/dbraw/zinc/71/34/80/1104713480.db2.gz XXRNBQLCVNJROR-NEPJUHHUSA-N 2 1 301.261 3.466 20 0 DGADMP CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246879392 1104717556 /nfs/dbraw/zinc/71/75/56/1104717556.db2.gz NAAZGYBBQHWTRY-NSHDSACASA-N 2 1 314.857 3.149 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246879696 1104718878 /nfs/dbraw/zinc/71/88/78/1104718878.db2.gz FWYKMNZQRXMFCW-JMSVASOKSA-N 2 1 311.267 3.049 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCNC[C@@H]2c2cccs2)CC1 ZINC001246884238 1104720716 /nfs/dbraw/zinc/72/07/16/1104720716.db2.gz HYAXQHAMUPVSAN-OFLPRAFFSA-N 2 1 321.534 3.347 20 0 DGADMP CC[NH+](CC)C1CCC(N2CC[NH2+]C[C@@H]2c2cccs2)CC1 ZINC001246884238 1104720724 /nfs/dbraw/zinc/72/07/24/1104720724.db2.gz HYAXQHAMUPVSAN-OFLPRAFFSA-N 2 1 321.534 3.347 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246883092 1104721622 /nfs/dbraw/zinc/72/16/22/1104721622.db2.gz UUJJYIXSUWZLMF-KOHRHEQBSA-N 2 1 322.493 3.105 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001246885083 1104723264 /nfs/dbraw/zinc/72/32/64/1104723264.db2.gz LNLUGRQQDLTRNU-CVEARBPZSA-N 2 1 309.523 3.205 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCNC[C@H]1c1cccs1 ZINC001246885083 1104723270 /nfs/dbraw/zinc/72/32/70/1104723270.db2.gz LNLUGRQQDLTRNU-CVEARBPZSA-N 2 1 309.523 3.205 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246891893 1104725718 /nfs/dbraw/zinc/72/57/18/1104725718.db2.gz NWFXWQMOGVPDOC-HSALFYBXSA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)(C)c1ccc(N2CC[NH+]([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246893888 1104726016 /nfs/dbraw/zinc/72/60/16/1104726016.db2.gz XKZPCTDIGOMIAS-GOSISDBHSA-N 2 1 315.505 3.248 20 0 DGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001246895119 1104727636 /nfs/dbraw/zinc/72/76/36/1104727636.db2.gz RYJRMHLFYYVWFQ-MRXNPFEDSA-N 2 1 308.853 3.108 20 0 DGADMP CCCC[C@H]1CN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246904293 1104730224 /nfs/dbraw/zinc/73/02/24/1104730224.db2.gz VMCJNMZEOPJDFZ-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246907371 1104731741 /nfs/dbraw/zinc/73/17/41/1104731741.db2.gz QXEOYCABIZHPSN-TVFCKZIOSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC([NH2+]C)CC1 ZINC001246913742 1104735153 /nfs/dbraw/zinc/73/51/53/1104735153.db2.gz LJRAAMURUMDPIT-GPJFCIFZSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246915491 1104735904 /nfs/dbraw/zinc/73/59/04/1104735904.db2.gz FUFCVJDCANEITL-UYSNPLJNSA-N 2 1 308.416 3.285 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246917441 1104736777 /nfs/dbraw/zinc/73/67/77/1104736777.db2.gz QWTWOJZQZYTOKP-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246917441 1104736785 /nfs/dbraw/zinc/73/67/85/1104736785.db2.gz QWTWOJZQZYTOKP-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001246924081 1104739271 /nfs/dbraw/zinc/73/92/71/1104739271.db2.gz YMABLSYNHSANSE-AQFXKWCLSA-N 2 1 318.461 3.199 20 0 DGADMP OCCCCCC[N@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246927294 1104739909 /nfs/dbraw/zinc/73/99/09/1104739909.db2.gz YLRMXDNRERTTCB-IBGZPJMESA-N 2 1 304.478 3.183 20 0 DGADMP OCCCCCC[N@@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246927294 1104739913 /nfs/dbraw/zinc/73/99/13/1104739913.db2.gz YLRMXDNRERTTCB-IBGZPJMESA-N 2 1 304.478 3.183 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930319 1104741171 /nfs/dbraw/zinc/74/11/71/1104741171.db2.gz IVLGUYBRWSBZBT-SOLBZPMBSA-N 2 1 304.865 3.129 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246932239 1104741853 /nfs/dbraw/zinc/74/18/53/1104741853.db2.gz ZGIYAIDQULUGCZ-IRXDYDNUSA-N 2 1 302.462 3.405 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934642 1104743292 /nfs/dbraw/zinc/74/32/92/1104743292.db2.gz ORUHIOPSHTVXIG-MSOLQXFVSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934642 1104743298 /nfs/dbraw/zinc/74/32/98/1104743298.db2.gz ORUHIOPSHTVXIG-MSOLQXFVSA-N 2 1 309.542 3.351 20 0 DGADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933768 1104743655 /nfs/dbraw/zinc/74/36/55/1104743655.db2.gz KRODNIBCQPILFX-HKUYNNGSSA-N 3 1 319.537 3.153 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246938942 1104744903 /nfs/dbraw/zinc/74/49/03/1104744903.db2.gz PWWMCEICJYLHCB-NEWSRXKRSA-N 2 1 315.505 3.241 20 0 DGADMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246941422 1104746174 /nfs/dbraw/zinc/74/61/74/1104746174.db2.gz KOVBVLUMZCNVPY-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)(C)CN(C1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246947015 1104748079 /nfs/dbraw/zinc/74/80/79/1104748079.db2.gz RRPANDNZUOHAJY-LJQANCHMSA-N 2 1 321.553 3.494 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@@H+](CC(C)(C)C)C1CC[NH2+]CC1)C2 ZINC001246947673 1104748120 /nfs/dbraw/zinc/74/81/20/1104748120.db2.gz WQHOWHQKJSXCQH-GOSISDBHSA-N 2 1 316.489 3.263 20 0 DGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)C1CCc2ccccc2CC1 ZINC001246952212 1104750812 /nfs/dbraw/zinc/75/08/12/1104750812.db2.gz YUHTUPHLYIXXSH-UHFFFAOYSA-N 2 1 316.489 3.025 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246965649 1104753711 /nfs/dbraw/zinc/75/37/11/1104753711.db2.gz HPCLUMCKUDEXSX-LMMKCTJWSA-N 2 1 317.477 3.236 20 0 DGADMP CC[C@@H]1C[C@H](N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246963172 1104753744 /nfs/dbraw/zinc/75/37/44/1104753744.db2.gz GKPPWAJUFMVLQN-AQNXPRMDSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)C[C@H](CC)[NH2+]1 ZINC001246967224 1104754779 /nfs/dbraw/zinc/75/47/79/1104754779.db2.gz MMKFQAPAOKZXGV-SFNKJDCFSA-N 2 1 317.477 3.234 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246967962 1104755164 /nfs/dbraw/zinc/75/51/64/1104755164.db2.gz QCFHAUCANSBNNL-DOMZBBRYSA-N 2 1 316.367 3.187 20 0 DGADMP Fc1cccc2c1C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246972072 1104755878 /nfs/dbraw/zinc/75/58/78/1104755878.db2.gz BQQPKSGBHRUIAF-QGZVFWFLSA-N 2 1 302.437 3.290 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3cccc(C)n3)C2)CC[NH2+]1 ZINC001246972930 1104757061 /nfs/dbraw/zinc/75/70/61/1104757061.db2.gz KTZBRUFXVORSJB-SQNIBIBYSA-N 2 1 317.477 3.154 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974338 1104757285 /nfs/dbraw/zinc/75/72/85/1104757285.db2.gz RCEBAJISWJZAHR-GUYCJALGSA-N 2 1 320.864 3.108 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974338 1104757289 /nfs/dbraw/zinc/75/72/89/1104757289.db2.gz RCEBAJISWJZAHR-GUYCJALGSA-N 2 1 320.864 3.108 20 0 DGADMP COc1cccc(C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246974349 1104758338 /nfs/dbraw/zinc/75/83/38/1104758338.db2.gz RCWLXRCBOLJYJI-DOTOQJQBSA-N 2 1 302.462 3.090 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246975940 1104758431 /nfs/dbraw/zinc/75/84/31/1104758431.db2.gz DMQVAYZXLBBBDH-MRXNPFEDSA-N 2 1 316.445 3.160 20 0 DGADMP c1ccc([C@H]2C[C@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974981 1104758667 /nfs/dbraw/zinc/75/86/67/1104758667.db2.gz LMEWEFDGNGALRP-WOJBJXKFSA-N 2 1 313.489 3.086 20 0 DGADMP c1ccc([C@H]2C[C@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974981 1104758670 /nfs/dbraw/zinc/75/86/70/1104758670.db2.gz LMEWEFDGNGALRP-WOJBJXKFSA-N 2 1 313.489 3.086 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCN(C)C2)c1 ZINC001246976099 1104758882 /nfs/dbraw/zinc/75/88/82/1104758882.db2.gz VICFBNSUQGLLNL-UFYCRDLUSA-N 2 1 315.505 3.161 20 0 DGADMP C1C[C@@H]([N@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)CN1 ZINC001246979182 1104761599 /nfs/dbraw/zinc/76/15/99/1104761599.db2.gz NZOKTSDSIHPMGX-LJQANCHMSA-N 2 1 319.537 3.295 20 0 DGADMP C1C[C@@H]([N@@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)CN1 ZINC001246979182 1104761603 /nfs/dbraw/zinc/76/16/03/1104761603.db2.gz NZOKTSDSIHPMGX-LJQANCHMSA-N 2 1 319.537 3.295 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@@H]3CCC4(C[NH2+]C4)C3)CC[C@H]1N2 ZINC001246998533 1104770224 /nfs/dbraw/zinc/77/02/24/1104770224.db2.gz COKJPTAYIJMWEB-UKPHBRMFSA-N 2 1 317.864 3.066 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(Cc4ccccc4N3)CC1)C2 ZINC001246999985 1104771514 /nfs/dbraw/zinc/77/15/14/1104771514.db2.gz DNQDXUOYXNGHFX-PIIMJCKOSA-N 2 1 311.473 3.114 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001247001229 1104771659 /nfs/dbraw/zinc/77/16/59/1104771659.db2.gz ZDIGYALPFMARPL-KXBFYZLASA-N 2 1 302.437 3.248 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[N@@H+]([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC001247002924 1104772416 /nfs/dbraw/zinc/77/24/16/1104772416.db2.gz UQSULZRBIXAJEH-DABQJJPHSA-N 2 1 311.256 3.350 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010909 1104775304 /nfs/dbraw/zinc/77/53/04/1104775304.db2.gz WPQDSJJPDSDUIG-VGWMRTNUSA-N 2 1 319.880 3.134 20 0 DGADMP CC[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247010909 1104775312 /nfs/dbraw/zinc/77/53/12/1104775312.db2.gz WPQDSJJPDSDUIG-VGWMRTNUSA-N 2 1 319.880 3.134 20 0 DGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247008657 1104775449 /nfs/dbraw/zinc/77/54/49/1104775449.db2.gz NOPOSPSGFWFBPM-DLBZAZTESA-N 2 1 324.509 3.066 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247016864 1104779369 /nfs/dbraw/zinc/77/93/69/1104779369.db2.gz YKAQGTQKUNSICO-WDYCEAGBSA-N 2 1 302.462 3.090 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(OC)c(C)cc3OC)(C1)CCC2 ZINC001275581874 1104821081 /nfs/dbraw/zinc/82/10/81/1104821081.db2.gz DWCNDAMYIOOYBQ-RBUKOAKNSA-N 2 1 318.461 3.167 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275841387 1104929196 /nfs/dbraw/zinc/92/91/96/1104929196.db2.gz RJFRQPPESUZPLE-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275841387 1104929200 /nfs/dbraw/zinc/92/92/00/1104929200.db2.gz RJFRQPPESUZPLE-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275841387 1104929204 /nfs/dbraw/zinc/92/92/04/1104929204.db2.gz RJFRQPPESUZPLE-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001275841387 1104929207 /nfs/dbraw/zinc/92/92/07/1104929207.db2.gz RJFRQPPESUZPLE-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc12 ZINC001275885335 1104944401 /nfs/dbraw/zinc/94/44/01/1104944401.db2.gz CWIIEEWDKWIKIS-UHFFFAOYSA-N 2 1 307.441 3.061 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001247699551 1104958374 /nfs/dbraw/zinc/95/83/74/1104958374.db2.gz RXJIXXLMAJHSGR-SNVBAGLBSA-N 2 1 315.204 3.172 20 0 DGADMP c1cc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)no1 ZINC001276071385 1105008821 /nfs/dbraw/zinc/00/88/21/1105008821.db2.gz VLQDJEBPBQOFEJ-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP c1cc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)no1 ZINC001276071385 1105008825 /nfs/dbraw/zinc/00/88/25/1105008825.db2.gz VLQDJEBPBQOFEJ-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]c1 ZINC001276102028 1105017899 /nfs/dbraw/zinc/01/78/99/1105017899.db2.gz VZXKBFIKAVOCKA-MQVJKMGUSA-N 2 1 316.474 3.065 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc[nH]c1 ZINC001276102028 1105017908 /nfs/dbraw/zinc/01/79/08/1105017908.db2.gz VZXKBFIKAVOCKA-MQVJKMGUSA-N 2 1 316.474 3.065 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC001276154947 1105031967 /nfs/dbraw/zinc/03/19/67/1105031967.db2.gz NBQXSRMCVMSFSS-AGUYFDCRSA-N 2 1 314.351 3.300 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC001276154947 1105031971 /nfs/dbraw/zinc/03/19/71/1105031971.db2.gz NBQXSRMCVMSFSS-AGUYFDCRSA-N 2 1 314.351 3.300 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3c(C)cccc3Br)C[C@H]2C1 ZINC001248624188 1105138177 /nfs/dbraw/zinc/13/81/77/1105138177.db2.gz MFXIFNZUIIWMJH-OKILXGFUSA-N 2 1 323.278 3.141 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2ncc(C(F)(F)F)cc2F)CC1 ZINC001248789306 1105161203 /nfs/dbraw/zinc/16/12/03/1105161203.db2.gz VHACHABMMINDRE-UHFFFAOYSA-N 2 1 319.346 3.013 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cc[nH]c43)C[C@@H]2C1 ZINC001248818695 1105170124 /nfs/dbraw/zinc/17/01/24/1105170124.db2.gz YEQYZYBIDXSTCP-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cc[nH]c43)C[C@@H]2C1 ZINC001248818695 1105170126 /nfs/dbraw/zinc/17/01/26/1105170126.db2.gz YEQYZYBIDXSTCP-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c4cc[nH]c43)C[C@@H]2C1 ZINC001248818695 1105170128 /nfs/dbraw/zinc/17/01/28/1105170128.db2.gz YEQYZYBIDXSTCP-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c4cc[nH]c43)C[C@@H]2C1 ZINC001248818695 1105170129 /nfs/dbraw/zinc/17/01/29/1105170129.db2.gz YEQYZYBIDXSTCP-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)c(Cl)c1 ZINC001248896253 1105188985 /nfs/dbraw/zinc/18/89/85/1105188985.db2.gz NKOJACVEKVLBPI-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(N(C)C)c2)CC1 ZINC001249953663 1105413734 /nfs/dbraw/zinc/41/37/34/1105413734.db2.gz QFRPVVUABOEPTM-UHFFFAOYSA-N 2 1 321.484 3.444 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573819 1105435623 /nfs/dbraw/zinc/43/56/23/1105435623.db2.gz NZVOQUTUQXRSQU-SFHVURJKSA-N 2 1 305.466 3.128 20 0 DGADMP CCOc1cc(C)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001250179919 1105461792 /nfs/dbraw/zinc/46/17/92/1105461792.db2.gz LFGHGDRCXUJEMO-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001137329630 1105487918 /nfs/dbraw/zinc/48/79/18/1105487918.db2.gz HXGXSKUOUYKUGY-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001137329630 1105487922 /nfs/dbraw/zinc/48/79/22/1105487922.db2.gz HXGXSKUOUYKUGY-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001137329630 1105487924 /nfs/dbraw/zinc/48/79/24/1105487924.db2.gz HXGXSKUOUYKUGY-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001137329630 1105487927 /nfs/dbraw/zinc/48/79/27/1105487927.db2.gz HXGXSKUOUYKUGY-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP c1[nH]c2ncccc2c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137401762 1105513732 /nfs/dbraw/zinc/51/37/32/1105513732.db2.gz GOVIIFFBNFEUGK-KRWDZBQOSA-N 2 1 312.461 3.403 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)ccc(F)c3Cl)C[C@H]2CC1 ZINC001276384817 1105551831 /nfs/dbraw/zinc/55/18/31/1105551831.db2.gz MZPYYSKOUXWXII-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)ccc(F)c3Cl)C[C@H]2CC1 ZINC001276384817 1105551837 /nfs/dbraw/zinc/55/18/37/1105551837.db2.gz MZPYYSKOUXWXII-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)ccc(F)c3Cl)C[C@H]2CC1 ZINC001276384817 1105551843 /nfs/dbraw/zinc/55/18/43/1105551843.db2.gz MZPYYSKOUXWXII-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001255965383 1105738154 /nfs/dbraw/zinc/73/81/54/1105738154.db2.gz FOUNHYVRRYPQHH-HZPDHXFCSA-N 2 1 312.498 3.303 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC(C)(C)O)C[C@@H]21 ZINC001252351419 1105769759 /nfs/dbraw/zinc/76/97/59/1105769759.db2.gz HLORGMFQCNIQPB-BHYGNILZSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC(C)(C)O)C[C@@H]21 ZINC001252351419 1105769767 /nfs/dbraw/zinc/76/97/67/1105769767.db2.gz HLORGMFQCNIQPB-BHYGNILZSA-N 2 1 322.518 3.051 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC(C)(C)O)C[C@@H]21 ZINC001252351419 1105769772 /nfs/dbraw/zinc/76/97/72/1105769772.db2.gz HLORGMFQCNIQPB-BHYGNILZSA-N 2 1 322.518 3.051 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC001253216565 1105904334 /nfs/dbraw/zinc/90/43/34/1105904334.db2.gz NPTHMVRGLFNNNC-CXAGYDPISA-N 2 1 310.869 3.010 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC001253213816 1105904576 /nfs/dbraw/zinc/90/45/76/1105904576.db2.gz MJHMQIJGDHPKIU-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP CSc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395215 1105933818 /nfs/dbraw/zinc/93/38/18/1105933818.db2.gz BUZMCKDYAPZFJC-ZBFHGGJFSA-N 2 1 322.518 3.294 20 0 DGADMP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395215 1105933821 /nfs/dbraw/zinc/93/38/21/1105933821.db2.gz BUZMCKDYAPZFJC-ZBFHGGJFSA-N 2 1 322.518 3.294 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC001253407217 1105935951 /nfs/dbraw/zinc/93/59/51/1105935951.db2.gz IHENUVPEUGGXDE-DLBZAZTESA-N 2 1 308.441 3.006 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC001253407387 1105936187 /nfs/dbraw/zinc/93/61/87/1105936187.db2.gz JRFBLXQBEBAOQH-DLBZAZTESA-N 2 1 310.457 3.252 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1C(F)(F)F ZINC001253407740 1105936234 /nfs/dbraw/zinc/93/62/34/1105936234.db2.gz PCCBYSNIPLECAQ-RYUDHWBXSA-N 2 1 318.383 3.105 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253731722 1105975994 /nfs/dbraw/zinc/97/59/94/1105975994.db2.gz USTOSDICYCVCKI-GOSISDBHSA-N 2 1 322.468 3.129 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253731722 1105976000 /nfs/dbraw/zinc/97/60/00/1105976000.db2.gz USTOSDICYCVCKI-GOSISDBHSA-N 2 1 322.468 3.129 20 0 DGADMP C[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001254039085 1106012490 /nfs/dbraw/zinc/01/24/90/1106012490.db2.gz YUYWYEMQYCZWDJ-ROUUACIJSA-N 2 1 316.489 3.134 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCOC2)cc1 ZINC001254373036 1106061857 /nfs/dbraw/zinc/06/18/57/1106061857.db2.gz UCVHLNRGINHUOI-FHWLQOOXSA-N 2 1 302.462 3.246 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001254387185 1106064033 /nfs/dbraw/zinc/06/40/33/1106064033.db2.gz GCJNIPFWEUOBQO-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001254387185 1106064039 /nfs/dbraw/zinc/06/40/39/1106064039.db2.gz GCJNIPFWEUOBQO-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001254387185 1106064042 /nfs/dbraw/zinc/06/40/42/1106064042.db2.gz GCJNIPFWEUOBQO-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001254387183 1106065036 /nfs/dbraw/zinc/06/50/36/1106065036.db2.gz GCJNIPFWEUOBQO-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001254387183 1106065042 /nfs/dbraw/zinc/06/50/42/1106065042.db2.gz GCJNIPFWEUOBQO-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001254387183 1106065049 /nfs/dbraw/zinc/06/50/49/1106065049.db2.gz GCJNIPFWEUOBQO-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254510846 1106087507 /nfs/dbraw/zinc/08/75/07/1106087507.db2.gz YHUAYWAJPHJJKS-CQSZACIVSA-N 2 1 311.267 3.331 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001254499994 1106083252 /nfs/dbraw/zinc/08/32/52/1106083252.db2.gz RNABWKYYDUFSJB-HXUWFJFHSA-N 2 1 322.452 3.492 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001254501896 1106083445 /nfs/dbraw/zinc/08/34/45/1106083445.db2.gz ZUZKNROJZNZQQO-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001254501896 1106083453 /nfs/dbraw/zinc/08/34/53/1106083453.db2.gz ZUZKNROJZNZQQO-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001254503610 1106084815 /nfs/dbraw/zinc/08/48/15/1106084815.db2.gz NNCGWBQWKPQFCL-SFHVURJKSA-N 3 1 307.526 3.105 20 0 DGADMP CN1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001254503610 1106084820 /nfs/dbraw/zinc/08/48/20/1106084820.db2.gz NNCGWBQWKPQFCL-SFHVURJKSA-N 2 1 307.526 3.105 20 0 DGADMP COc1ccc(CC(C)(C)C[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254511506 1106086255 /nfs/dbraw/zinc/08/62/55/1106086255.db2.gz BEZGEYUHRDIHHP-KRWDZBQOSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254509812 1106087282 /nfs/dbraw/zinc/08/72/82/1106087282.db2.gz JCQNKNBYFIUWKK-KRWDZBQOSA-N 2 1 302.462 3.092 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3)CCOCC2)CC1 ZINC001254511194 1106087381 /nfs/dbraw/zinc/08/73/81/1106087381.db2.gz XBPBRSKVWRNDMG-LJQANCHMSA-N 2 1 316.489 3.100 20 0 DGADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])Cc2cccc(C(F)(F)F)c2)CC1 ZINC001254509360 1106087485 /nfs/dbraw/zinc/08/74/85/1106087485.db2.gz MJMAGKQHTKFLMC-CQSZACIVSA-N 2 1 313.367 3.299 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254512400 1106089036 /nfs/dbraw/zinc/08/90/36/1106089036.db2.gz NAJASCKORWXPMB-QGZVFWFLSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254522193 1106090824 /nfs/dbraw/zinc/09/08/24/1106090824.db2.gz DOEQQTFSCCMDPU-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254522193 1106090825 /nfs/dbraw/zinc/09/08/25/1106090825.db2.gz DOEQQTFSCCMDPU-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254522193 1106090830 /nfs/dbraw/zinc/09/08/30/1106090830.db2.gz DOEQQTFSCCMDPU-IRXDYDNUSA-N 2 1 318.461 3.023 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC001254522109 1106091212 /nfs/dbraw/zinc/09/12/12/1106091212.db2.gz CAZRXAMXIUMZQL-INIZCTEOSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc(C2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254523588 1106092399 /nfs/dbraw/zinc/09/23/99/1106092399.db2.gz PKTDJNHADZHMNB-SFHVURJKSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254532474 1106096342 /nfs/dbraw/zinc/09/63/42/1106096342.db2.gz SXCZCXWBOMDPIV-QZTJIDSGSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254532474 1106096348 /nfs/dbraw/zinc/09/63/48/1106096348.db2.gz SXCZCXWBOMDPIV-QZTJIDSGSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254532474 1106096353 /nfs/dbraw/zinc/09/63/53/1106096353.db2.gz SXCZCXWBOMDPIV-QZTJIDSGSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254532475 1106096508 /nfs/dbraw/zinc/09/65/08/1106096508.db2.gz SXCZCXWBOMDPIV-ROUUACIJSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254532475 1106096513 /nfs/dbraw/zinc/09/65/13/1106096513.db2.gz SXCZCXWBOMDPIV-ROUUACIJSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254532475 1106096518 /nfs/dbraw/zinc/09/65/18/1106096518.db2.gz SXCZCXWBOMDPIV-ROUUACIJSA-N 2 1 302.462 3.359 20 0 DGADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254531893 1106096592 /nfs/dbraw/zinc/09/65/92/1106096592.db2.gz MRAQUULSHHCQBP-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254531893 1106096597 /nfs/dbraw/zinc/09/65/97/1106096597.db2.gz MRAQUULSHHCQBP-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CN([C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531893 1106096602 /nfs/dbraw/zinc/09/66/02/1106096602.db2.gz MRAQUULSHHCQBP-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@H](n2nc(C3CC[NH2+]CC3)c3ccccc32)CC1 ZINC001254530953 1106097217 /nfs/dbraw/zinc/09/72/17/1106097217.db2.gz IHYLULCOXZCJAN-INIZCTEOSA-N 2 1 312.461 3.160 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001254533453 1106097228 /nfs/dbraw/zinc/09/72/28/1106097228.db2.gz KTDQWXJMUHQIJZ-MRXNPFEDSA-N 2 1 312.461 3.158 20 0 DGADMP [NH2+]=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001255099558 1106178950 /nfs/dbraw/zinc/17/89/50/1106178950.db2.gz IRPFEFXLDGWFQZ-QGZVFWFLSA-N 2 1 315.367 3.154 20 0 DGADMP [NH2+]=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001255099558 1106178955 /nfs/dbraw/zinc/17/89/55/1106178955.db2.gz IRPFEFXLDGWFQZ-QGZVFWFLSA-N 2 1 315.367 3.154 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccn2)C3)cc1 ZINC001255123781 1106184040 /nfs/dbraw/zinc/18/40/40/1106184040.db2.gz WPAZJGWJASEYKB-ACDBMABISA-N 2 1 307.441 3.367 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccn2)C3)cc1 ZINC001255123781 1106184042 /nfs/dbraw/zinc/18/40/42/1106184042.db2.gz WPAZJGWJASEYKB-ACDBMABISA-N 2 1 307.441 3.367 20 0 DGADMP CCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125110 1106184847 /nfs/dbraw/zinc/18/48/47/1106184847.db2.gz AOFZXZBISRAGDO-LDLYASANSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001255126911 1106185207 /nfs/dbraw/zinc/18/52/07/1106185207.db2.gz QJSGIJWHBBGNCK-OWZKRDHZSA-N 2 1 322.456 3.070 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255126911 1106185211 /nfs/dbraw/zinc/18/52/11/1106185211.db2.gz QJSGIJWHBBGNCK-OWZKRDHZSA-N 2 1 322.456 3.070 20 0 DGADMP C[N@@H+](CC1(C)COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145231 1106189477 /nfs/dbraw/zinc/18/94/77/1106189477.db2.gz NLEWEJPYTQCTIN-REPLKXPHSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1(C)COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255145231 1106189479 /nfs/dbraw/zinc/18/94/79/1106189479.db2.gz NLEWEJPYTQCTIN-REPLKXPHSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+](CC1(C)COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255145231 1106189481 /nfs/dbraw/zinc/18/94/81/1106189481.db2.gz NLEWEJPYTQCTIN-REPLKXPHSA-N 2 1 314.473 3.150 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@H]4CCSC4)C3)C2)cc1 ZINC001255290934 1106216819 /nfs/dbraw/zinc/21/68/19/1106216819.db2.gz NVHAKTANMDWMDS-ZWKOTPCHSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@H]4CCSC4)C3)C2)cc1 ZINC001255290934 1106216821 /nfs/dbraw/zinc/21/68/21/1106216821.db2.gz NVHAKTANMDWMDS-ZWKOTPCHSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@H]4CCSC4)C3)C2)cc1 ZINC001255290934 1106216823 /nfs/dbraw/zinc/21/68/23/1106216823.db2.gz NVHAKTANMDWMDS-ZWKOTPCHSA-N 2 1 302.487 3.090 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCSC1 ZINC001255289823 1106216964 /nfs/dbraw/zinc/21/69/64/1106216964.db2.gz BJJYGSVILLAENM-SFHVURJKSA-N 2 1 304.503 3.336 20 0 DGADMP CCCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001255314062 1106220667 /nfs/dbraw/zinc/22/06/67/1106220667.db2.gz VVIZIYRGJADVOQ-QGZVFWFLSA-N 2 1 303.494 3.102 20 0 DGADMP CCCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001255324566 1106222659 /nfs/dbraw/zinc/22/26/59/1106222659.db2.gz GFBHGVAORJKTRL-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001255324566 1106222664 /nfs/dbraw/zinc/22/26/64/1106222664.db2.gz GFBHGVAORJKTRL-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001255324566 1106222667 /nfs/dbraw/zinc/22/26/67/1106222667.db2.gz GFBHGVAORJKTRL-NZSAHSFTSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001255327139 1106223247 /nfs/dbraw/zinc/22/32/47/1106223247.db2.gz WDWREUMBSASPEB-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001255327139 1106223249 /nfs/dbraw/zinc/22/32/49/1106223249.db2.gz WDWREUMBSASPEB-BHIYHBOVSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001255348911 1106229415 /nfs/dbraw/zinc/22/94/15/1106229415.db2.gz KAYVZYHFCUTLCP-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001255348911 1106229419 /nfs/dbraw/zinc/22/94/19/1106229419.db2.gz KAYVZYHFCUTLCP-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351727 1106230323 /nfs/dbraw/zinc/23/03/23/1106230323.db2.gz YKHXXKRGLUFCFL-XSLAGTTESA-N 2 1 322.493 3.090 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351723 1106230413 /nfs/dbraw/zinc/23/04/13/1106230413.db2.gz YKHXXKRGLUFCFL-TVFCKZIOSA-N 2 1 322.493 3.090 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCc3ccncc3)CC2)cc1 ZINC001255380044 1106236747 /nfs/dbraw/zinc/23/67/47/1106236747.db2.gz ZNFUZCBRTCWZIE-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCC3CCOCC3)CC2)cc1 ZINC001255382861 1106238620 /nfs/dbraw/zinc/23/86/20/1106238620.db2.gz XVRCDACFNWNDMC-HXUWFJFHSA-N 2 1 316.489 3.447 20 0 DGADMP COCC1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255387943 1106238999 /nfs/dbraw/zinc/23/89/99/1106238999.db2.gz VZKSVTPOOPIHDD-GOSISDBHSA-N 2 1 302.462 3.200 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389241 1106239119 /nfs/dbraw/zinc/23/91/19/1106239119.db2.gz CXSJVIQGQYIZEY-RBUKOAKNSA-N 2 1 304.478 3.182 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3CC34CCOCC4)CC2)cc1 ZINC001255394159 1106240782 /nfs/dbraw/zinc/24/07/82/1106240782.db2.gz SNVSXGUZAWAYRY-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CN(C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399215 1106242393 /nfs/dbraw/zinc/24/23/93/1106242393.db2.gz OYLLBYOHWZADRJ-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP CN1CCC[C@@](C)([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399048 1106243127 /nfs/dbraw/zinc/24/31/27/1106243127.db2.gz ZCKWIVMDAQODAP-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@@](C)(N[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399048 1106243131 /nfs/dbraw/zinc/24/31/31/1106243131.db2.gz ZCKWIVMDAQODAP-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@@](C)(N[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399048 1106243135 /nfs/dbraw/zinc/24/31/35/1106243135.db2.gz ZCKWIVMDAQODAP-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@](C)(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399048 1106243139 /nfs/dbraw/zinc/24/31/39/1106243139.db2.gz ZCKWIVMDAQODAP-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@](C)(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399048 1106243144 /nfs/dbraw/zinc/24/31/44/1106243144.db2.gz ZCKWIVMDAQODAP-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001255398265 1106243652 /nfs/dbraw/zinc/24/36/52/1106243652.db2.gz JEPLEHAPQULEHM-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001255398265 1106243654 /nfs/dbraw/zinc/24/36/54/1106243654.db2.gz JEPLEHAPQULEHM-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001255398265 1106243655 /nfs/dbraw/zinc/24/36/55/1106243655.db2.gz JEPLEHAPQULEHM-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001255400169 1106244616 /nfs/dbraw/zinc/24/46/16/1106244616.db2.gz GZDSMLARZHMOLE-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001255400169 1106244619 /nfs/dbraw/zinc/24/46/19/1106244619.db2.gz GZDSMLARZHMOLE-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001255400169 1106244621 /nfs/dbraw/zinc/24/46/21/1106244621.db2.gz GZDSMLARZHMOLE-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408541 1106245846 /nfs/dbraw/zinc/24/58/46/1106245846.db2.gz NHKPDZGQIVNEGY-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408541 1106245850 /nfs/dbraw/zinc/24/58/50/1106245850.db2.gz NHKPDZGQIVNEGY-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408541 1106245852 /nfs/dbraw/zinc/24/58/52/1106245852.db2.gz NHKPDZGQIVNEGY-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408541 1106245854 /nfs/dbraw/zinc/24/58/54/1106245854.db2.gz NHKPDZGQIVNEGY-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP Cc1nc2c(n1[C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C[NH2+]CC2 ZINC001255407919 1106245928 /nfs/dbraw/zinc/24/59/28/1106245928.db2.gz GCZGDRMJKTWVTL-SFHVURJKSA-N 2 1 324.472 3.064 20 0 DGADMP C[N@@H+](CC1(C)COC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406062 1106246228 /nfs/dbraw/zinc/24/62/28/1106246228.db2.gz OYQKISQHZFZQCQ-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CC1(C)COC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406062 1106246233 /nfs/dbraw/zinc/24/62/33/1106246233.db2.gz OYQKISQHZFZQCQ-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CC1(C)COC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255406062 1106246236 /nfs/dbraw/zinc/24/62/36/1106246236.db2.gz OYQKISQHZFZQCQ-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1C[NH2+]CC2 ZINC001255410416 1106248468 /nfs/dbraw/zinc/24/84/68/1106248468.db2.gz WSPZIZPSXCWYPK-IBGZPJMESA-N 2 1 309.457 3.361 20 0 DGADMP C[N@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001255442468 1106250607 /nfs/dbraw/zinc/25/06/07/1106250607.db2.gz XHHCLODNDWYDGP-AWEZNQCLSA-N 2 1 301.409 3.124 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255538331 1106266219 /nfs/dbraw/zinc/26/62/19/1106266219.db2.gz VACQECYBYVGHIH-KBAYOESNSA-N 2 1 317.477 3.111 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255642790 1106282745 /nfs/dbraw/zinc/28/27/45/1106282745.db2.gz HKAODMHPIWCDHC-QEJZJMRPSA-N 2 1 315.383 3.494 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC001255651076 1106285597 /nfs/dbraw/zinc/28/55/97/1106285597.db2.gz KDIUKXSCPXCZEN-LLVKDONJSA-N 2 1 301.356 3.270 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001255668035 1106290112 /nfs/dbraw/zinc/29/01/12/1106290112.db2.gz CRHZYCIMOVYCKU-CZLXLUGWSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001255668035 1106290117 /nfs/dbraw/zinc/29/01/17/1106290117.db2.gz CRHZYCIMOVYCKU-CZLXLUGWSA-N 2 1 322.880 3.367 20 0 DGADMP Cc1cccnc1C(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255672867 1106291645 /nfs/dbraw/zinc/29/16/45/1106291645.db2.gz XJFQFCFZADTVAD-ALOPSCKCSA-N 2 1 301.478 3.273 20 0 DGADMP COc1ccc(CC2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001255671924 1106291922 /nfs/dbraw/zinc/29/19/22/1106291922.db2.gz XPVSATYSEONPGW-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccc(CC2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001255671924 1106291926 /nfs/dbraw/zinc/29/19/26/1106291926.db2.gz XPVSATYSEONPGW-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP COc1cc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001255672008 1106292204 /nfs/dbraw/zinc/29/22/04/1106292204.db2.gz UNDHIDSWYYESSO-AYHJJNSGSA-N 2 1 302.462 3.417 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681751 1106293250 /nfs/dbraw/zinc/29/32/50/1106293250.db2.gz FRVFHTZVQRQNOL-SJPCQFCGSA-N 2 1 316.445 3.253 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681751 1106293255 /nfs/dbraw/zinc/29/32/55/1106293255.db2.gz FRVFHTZVQRQNOL-SJPCQFCGSA-N 2 1 316.445 3.253 20 0 DGADMP CC[NH+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681751 1106293259 /nfs/dbraw/zinc/29/32/59/1106293259.db2.gz FRVFHTZVQRQNOL-SJPCQFCGSA-N 2 1 316.445 3.253 20 0 DGADMP CC[NH+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681751 1106293264 /nfs/dbraw/zinc/29/32/64/1106293264.db2.gz FRVFHTZVQRQNOL-SJPCQFCGSA-N 2 1 316.445 3.253 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])cc1 ZINC001255781384 1106315119 /nfs/dbraw/zinc/31/51/19/1106315119.db2.gz LYOUCGTXYTVHJC-KRWDZBQOSA-N 3 1 319.537 3.401 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC001255940873 1106345565 /nfs/dbraw/zinc/34/55/65/1106345565.db2.gz HVJICINAMCFXME-ZDUSSCGKSA-N 2 1 300.393 3.498 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC001255945659 1106346224 /nfs/dbraw/zinc/34/62/24/1106346224.db2.gz HRIBUMYZJKOMRZ-GFCCVEGCSA-N 2 1 314.271 3.054 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC001255952140 1106347903 /nfs/dbraw/zinc/34/79/03/1106347903.db2.gz TUYKXOSMACYESY-RHSMWYFYSA-N 2 1 306.450 3.229 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H](C)CC[NH+](CC)CC)C1 ZINC001255957617 1106350109 /nfs/dbraw/zinc/35/01/09/1106350109.db2.gz SVGBDZZDOKOANE-SJLPKXTDSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001255961204 1106350603 /nfs/dbraw/zinc/35/06/03/1106350603.db2.gz LAKIKTCOARENOW-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001255961204 1106350605 /nfs/dbraw/zinc/35/06/05/1106350605.db2.gz LAKIKTCOARENOW-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@@H+]([C@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964635 1106351384 /nfs/dbraw/zinc/35/13/84/1106351384.db2.gz AEHDUCXAZXUOKE-HZPDHXFCSA-N 2 1 322.497 3.322 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@H+]([C@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964635 1106351385 /nfs/dbraw/zinc/35/13/85/1106351385.db2.gz AEHDUCXAZXUOKE-HZPDHXFCSA-N 2 1 322.497 3.322 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001255965382 1106351575 /nfs/dbraw/zinc/35/15/75/1106351575.db2.gz FOUNHYVRRYPQHH-HOTGVXAUSA-N 2 1 312.498 3.303 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC001255973428 1106353037 /nfs/dbraw/zinc/35/30/37/1106353037.db2.gz ZNFGUIYJBZNYGA-QGZVFWFLSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC001255973426 1106353131 /nfs/dbraw/zinc/35/31/31/1106353131.db2.gz ZNFGUIYJBZNYGA-KRWDZBQOSA-N 2 1 319.493 3.354 20 0 DGADMP COc1ccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256071640 1106364115 /nfs/dbraw/zinc/36/41/15/1106364115.db2.gz IPCQMFJZZHCUOH-UHFFFAOYSA-N 2 1 314.473 3.234 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080513 1106366299 /nfs/dbraw/zinc/36/62/99/1106366299.db2.gz YCCWZQVIMYHINC-HXUWFJFHSA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080513 1106366302 /nfs/dbraw/zinc/36/63/02/1106366302.db2.gz YCCWZQVIMYHINC-HXUWFJFHSA-N 2 1 314.473 3.294 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC001256203322 1106389842 /nfs/dbraw/zinc/38/98/42/1106389842.db2.gz FWBIOOMTHZNLCK-UHFFFAOYSA-N 2 1 317.408 3.241 20 0 DGADMP Cc1cc(N([C@@H](C)CCC(C)C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001256373671 1106412768 /nfs/dbraw/zinc/41/27/68/1106412768.db2.gz DBHHAXJOXLZJOM-HNNXBMFYSA-N 2 1 304.482 3.477 20 0 DGADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001256422458 1106419096 /nfs/dbraw/zinc/41/90/96/1106419096.db2.gz RPNIITLUTXFHLN-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256422458 1106419097 /nfs/dbraw/zinc/41/90/97/1106419097.db2.gz RPNIITLUTXFHLN-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP CCOC1CCC([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001256439631 1106423735 /nfs/dbraw/zinc/42/37/35/1106423735.db2.gz ZANMCJMNTHPXIQ-UHFFFAOYSA-N 2 1 317.477 3.277 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256520867 1106432957 /nfs/dbraw/zinc/43/29/57/1106432957.db2.gz VCPIJPRACVNZGF-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520867 1106432960 /nfs/dbraw/zinc/43/29/60/1106432960.db2.gz VCPIJPRACVNZGF-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520867 1106432965 /nfs/dbraw/zinc/43/29/65/1106432965.db2.gz VCPIJPRACVNZGF-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522520 1106433577 /nfs/dbraw/zinc/43/35/77/1106433577.db2.gz KTSZUSOOWNWWIO-ICSRJNTNSA-N 3 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522520 1106433578 /nfs/dbraw/zinc/43/35/78/1106433578.db2.gz KTSZUSOOWNWWIO-ICSRJNTNSA-N 3 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520457 1106433625 /nfs/dbraw/zinc/43/36/25/1106433625.db2.gz OVEZXEFQJCJIMB-FFGOWVMKSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520457 1106433626 /nfs/dbraw/zinc/43/36/26/1106433626.db2.gz OVEZXEFQJCJIMB-FFGOWVMKSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@@H](Nc2cccnc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528733 1106434127 /nfs/dbraw/zinc/43/41/27/1106434127.db2.gz KJVAWGWDXDFSNN-RDJZCZTQSA-N 2 1 310.445 3.005 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526835 1106434410 /nfs/dbraw/zinc/43/44/10/1106434410.db2.gz OTZVKZVBCHOELF-WMZOPIPTSA-N 2 1 320.452 3.148 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256526835 1106434415 /nfs/dbraw/zinc/43/44/15/1106434415.db2.gz OTZVKZVBCHOELF-WMZOPIPTSA-N 2 1 320.452 3.148 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256534379 1106435427 /nfs/dbraw/zinc/43/54/27/1106435427.db2.gz QNLZUWGFNPORHC-RDJZCZTQSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256534379 1106435428 /nfs/dbraw/zinc/43/54/28/1106435428.db2.gz QNLZUWGFNPORHC-RDJZCZTQSA-N 2 1 304.478 3.179 20 0 DGADMP COC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535728 1106436242 /nfs/dbraw/zinc/43/62/42/1106436242.db2.gz CLGPYGDXWDGLAJ-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP COC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535728 1106436245 /nfs/dbraw/zinc/43/62/45/1106436245.db2.gz CLGPYGDXWDGLAJ-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)N([C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH3+] ZINC001256536601 1106436322 /nfs/dbraw/zinc/43/63/22/1106436322.db2.gz IHBAZFBXASQQQF-IEBWSBKVSA-N 2 1 317.521 3.487 20 0 DGADMP COC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535731 1106436492 /nfs/dbraw/zinc/43/64/92/1106436492.db2.gz CLGPYGDXWDGLAJ-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP COC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535731 1106436494 /nfs/dbraw/zinc/43/64/94/1106436494.db2.gz CLGPYGDXWDGLAJ-SJLPKXTDSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001256536310 1106436792 /nfs/dbraw/zinc/43/67/92/1106436792.db2.gz CXZBUOVAZKVRMZ-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001256536310 1106436796 /nfs/dbraw/zinc/43/67/96/1106436796.db2.gz CXZBUOVAZKVRMZ-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001256536310 1106436799 /nfs/dbraw/zinc/43/67/99/1106436799.db2.gz CXZBUOVAZKVRMZ-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001256536310 1106436802 /nfs/dbraw/zinc/43/68/02/1106436802.db2.gz CXZBUOVAZKVRMZ-PIKOESSRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256545859 1106439251 /nfs/dbraw/zinc/43/92/51/1106439251.db2.gz VPHMUWPODTUORU-AJYBTWMASA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256545859 1106439253 /nfs/dbraw/zinc/43/92/53/1106439253.db2.gz VPHMUWPODTUORU-AJYBTWMASA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256545859 1106439256 /nfs/dbraw/zinc/43/92/56/1106439256.db2.gz VPHMUWPODTUORU-AJYBTWMASA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543883 1106439426 /nfs/dbraw/zinc/43/94/26/1106439426.db2.gz VCFBLIWASVRJMT-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543883 1106439427 /nfs/dbraw/zinc/43/94/27/1106439427.db2.gz VCFBLIWASVRJMT-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543883 1106439432 /nfs/dbraw/zinc/43/94/32/1106439432.db2.gz VCFBLIWASVRJMT-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543883 1106439433 /nfs/dbraw/zinc/43/94/33/1106439433.db2.gz VCFBLIWASVRJMT-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH2+]CCN([C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256553346 1106442109 /nfs/dbraw/zinc/44/21/09/1106442109.db2.gz FLJAPUZJDNSRGC-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[N@H+](CC(C)(C)O)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554195 1106442738 /nfs/dbraw/zinc/44/27/38/1106442738.db2.gz OKTRSNGVCCCXMZ-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554195 1106442741 /nfs/dbraw/zinc/44/27/41/1106442741.db2.gz OKTRSNGVCCCXMZ-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554195 1106442744 /nfs/dbraw/zinc/44/27/44/1106442744.db2.gz OKTRSNGVCCCXMZ-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554195 1106442747 /nfs/dbraw/zinc/44/27/47/1106442747.db2.gz OKTRSNGVCCCXMZ-SJLPKXTDSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557749 1106443429 /nfs/dbraw/zinc/44/34/29/1106443429.db2.gz OARDALONVVQZHI-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001256557749 1106443431 /nfs/dbraw/zinc/44/34/31/1106443431.db2.gz OARDALONVVQZHI-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557749 1106443435 /nfs/dbraw/zinc/44/34/35/1106443435.db2.gz OARDALONVVQZHI-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557749 1106443437 /nfs/dbraw/zinc/44/34/37/1106443437.db2.gz OARDALONVVQZHI-NEWSRXKRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256555077 1106444092 /nfs/dbraw/zinc/44/40/92/1106444092.db2.gz SWWNRCZWJQWIOI-XXQMMXQMSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256555077 1106444093 /nfs/dbraw/zinc/44/40/93/1106444093.db2.gz SWWNRCZWJQWIOI-XXQMMXQMSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555077 1106444095 /nfs/dbraw/zinc/44/40/95/1106444095.db2.gz SWWNRCZWJQWIOI-XXQMMXQMSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555077 1106444096 /nfs/dbraw/zinc/44/40/96/1106444096.db2.gz SWWNRCZWJQWIOI-XXQMMXQMSA-N 2 1 302.437 3.472 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001256562141 1106445645 /nfs/dbraw/zinc/44/56/45/1106445645.db2.gz YETRONLLVRWVNQ-SFHVURJKSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(F)cc2)CC1 ZINC001256561991 1106445687 /nfs/dbraw/zinc/44/56/87/1106445687.db2.gz SSVNAIHOIHSYHC-KRWDZBQOSA-N 2 1 308.441 3.102 20 0 DGADMP C[N@H+]1CCN(C2CC[NH+](C(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC001256571701 1106447426 /nfs/dbraw/zinc/44/74/26/1106447426.db2.gz JOZIUSHWTAEEBI-IBGZPJMESA-N 2 1 315.505 3.238 20 0 DGADMP CO[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256608539 1106452974 /nfs/dbraw/zinc/45/29/74/1106452974.db2.gz BFCQSFQTKUHBIG-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256608539 1106452977 /nfs/dbraw/zinc/45/29/77/1106452977.db2.gz BFCQSFQTKUHBIG-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256613812 1106454357 /nfs/dbraw/zinc/45/43/57/1106454357.db2.gz WDYXUSXXYZCAIS-FQEVSTJZSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256621961 1106455734 /nfs/dbraw/zinc/45/57/34/1106455734.db2.gz CGZUVLZAJVJLQD-JWTNVVGKSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001256627139 1106456258 /nfs/dbraw/zinc/45/62/58/1106456258.db2.gz ZXIMZOSIYZKBBV-JWTNVVGKSA-N 2 1 314.473 3.463 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629938 1106456582 /nfs/dbraw/zinc/45/65/82/1106456582.db2.gz WPHIDYIWPBXHJZ-QTXGHNMQSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629938 1106456583 /nfs/dbraw/zinc/45/65/83/1106456583.db2.gz WPHIDYIWPBXHJZ-QTXGHNMQSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629938 1106456585 /nfs/dbraw/zinc/45/65/85/1106456585.db2.gz WPHIDYIWPBXHJZ-QTXGHNMQSA-N 2 1 302.462 3.183 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256628162 1106456757 /nfs/dbraw/zinc/45/67/57/1106456757.db2.gz TUSFDPUZQQAWFE-UJJTZGENSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628162 1106456760 /nfs/dbraw/zinc/45/67/60/1106456760.db2.gz TUSFDPUZQQAWFE-UJJTZGENSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628162 1106456763 /nfs/dbraw/zinc/45/67/63/1106456763.db2.gz TUSFDPUZQQAWFE-UJJTZGENSA-N 2 1 300.446 3.073 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001256642564 1106460789 /nfs/dbraw/zinc/46/07/89/1106460789.db2.gz KBAAVBPPBSZIQR-GOSISDBHSA-N 2 1 314.473 3.113 20 0 DGADMP Cc1ccccc1C[N@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256694654 1106470432 /nfs/dbraw/zinc/47/04/32/1106470432.db2.gz BVLNUUNKBSDJEJ-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP Cc1ccc(C[N@H+](C)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256694634 1106470479 /nfs/dbraw/zinc/47/04/79/1106470479.db2.gz ASWVZIUWRNNDLQ-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256719232 1106472230 /nfs/dbraw/zinc/47/22/30/1106472230.db2.gz OJTVBMHFVXKAPN-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256789167 1106483064 /nfs/dbraw/zinc/48/30/64/1106483064.db2.gz GCNLVPONMZITQH-YDZRNGNQSA-N 2 1 302.462 3.369 20 0 DGADMP FC(F)(F)[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256861103 1106498673 /nfs/dbraw/zinc/49/86/73/1106498673.db2.gz OCKQHIRLYZDMFG-ZDUSSCGKSA-N 2 1 313.367 3.325 20 0 DGADMP C[C@H]1Cc2ccccc2C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861737 1106499434 /nfs/dbraw/zinc/49/94/34/1106499434.db2.gz BMXJQHRRAZSBKH-INIZCTEOSA-N 2 1 307.441 3.497 20 0 DGADMP C[N@@H+](CC/C=C/c1cccnc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861699 1106499475 /nfs/dbraw/zinc/49/94/75/1106499475.db2.gz AEAUOEVGRDFPBS-GORDUTHDSA-N 2 1 322.456 3.481 20 0 DGADMP c1cc(N2CCC([N@@H+]3CCOC4(CCCCC4)C3)CC2)cc[nH+]1 ZINC001256862234 1106499578 /nfs/dbraw/zinc/49/95/78/1106499578.db2.gz KOCYMYKSZKMTQW-UHFFFAOYSA-N 2 1 315.461 3.086 20 0 DGADMP OC12C[C@@H]3C[C@H](C1)CC([NH2+][C@@H]1CCC[N@@H+](C4CCCC4)C1)(C3)C2 ZINC001256899938 1106505013 /nfs/dbraw/zinc/50/50/13/1106505013.db2.gz XRVIEDSLKDQOGV-CZZMKVDGSA-N 2 1 318.505 3.067 20 0 DGADMP OC12C[C@@H]3C[C@H](C1)CC([NH2+][C@@H]1CCC[N@H+](C4CCCC4)C1)(C3)C2 ZINC001256899938 1106505018 /nfs/dbraw/zinc/50/50/18/1106505018.db2.gz XRVIEDSLKDQOGV-CZZMKVDGSA-N 2 1 318.505 3.067 20 0 DGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256900922 1106505745 /nfs/dbraw/zinc/50/57/45/1106505745.db2.gz CKQOTUHOJNZAOA-BBWFWOEESA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256900922 1106505748 /nfs/dbraw/zinc/50/57/48/1106505748.db2.gz CKQOTUHOJNZAOA-BBWFWOEESA-N 2 1 322.493 3.105 20 0 DGADMP c1ccc(OCCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256902710 1106507361 /nfs/dbraw/zinc/50/73/61/1106507361.db2.gz VTYSSKPPWOZSSD-KRWDZBQOSA-N 2 1 302.462 3.452 20 0 DGADMP c1ccc(OCCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256902710 1106507365 /nfs/dbraw/zinc/50/73/65/1106507365.db2.gz VTYSSKPPWOZSSD-KRWDZBQOSA-N 2 1 302.462 3.452 20 0 DGADMP COc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC001256906465 1106508457 /nfs/dbraw/zinc/50/84/57/1106508457.db2.gz BKIGAFSPTZZKMZ-INIZCTEOSA-N 2 1 320.452 3.373 20 0 DGADMP COc1ccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)c(F)c1 ZINC001256906465 1106508458 /nfs/dbraw/zinc/50/84/58/1106508458.db2.gz BKIGAFSPTZZKMZ-INIZCTEOSA-N 2 1 320.452 3.373 20 0 DGADMP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256911838 1106510070 /nfs/dbraw/zinc/51/00/70/1106510070.db2.gz VTFZRWBTLWOEPX-ABHNRTSZSA-N 3 1 307.526 3.103 20 0 DGADMP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256911838 1106510072 /nfs/dbraw/zinc/51/00/72/1106510072.db2.gz VTFZRWBTLWOEPX-ABHNRTSZSA-N 3 1 307.526 3.103 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2CCC[NH+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911322 1106510193 /nfs/dbraw/zinc/51/01/93/1106510193.db2.gz LQTQRLFJPMKBCS-ZIFCJYIRSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911322 1106510196 /nfs/dbraw/zinc/51/01/96/1106510196.db2.gz LQTQRLFJPMKBCS-ZIFCJYIRSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911322 1106510200 /nfs/dbraw/zinc/51/02/00/1106510200.db2.gz LQTQRLFJPMKBCS-ZIFCJYIRSA-N 2 1 307.526 3.102 20 0 DGADMP Cc1cccc(O[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257223691 1106554032 /nfs/dbraw/zinc/55/40/32/1106554032.db2.gz WNABXFQYZNAAHO-SFHVURJKSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccc(O[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257223691 1106554036 /nfs/dbraw/zinc/55/40/36/1106554036.db2.gz WNABXFQYZNAAHO-SFHVURJKSA-N 2 1 317.477 3.106 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001257222224 1106554411 /nfs/dbraw/zinc/55/44/11/1106554411.db2.gz XTPAESWDEPTUDD-QGZVFWFLSA-N 2 1 302.462 3.357 20 0 DGADMP CCC(CC)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001257290154 1106562149 /nfs/dbraw/zinc/56/21/49/1106562149.db2.gz NOLHTSOEGBSBMO-UHFFFAOYSA-N 2 1 315.502 3.001 20 0 DGADMP CCCCCC1CCC([NH2+]CCN2CCC[N@@H+](C)CC2)CC1 ZINC001257370732 1106575451 /nfs/dbraw/zinc/57/54/51/1106575451.db2.gz TUEHXSDFDDGRDP-UHFFFAOYSA-N 2 1 309.542 3.353 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001257441073 1106589176 /nfs/dbraw/zinc/58/91/76/1106589176.db2.gz UTYAMOMAQVQAKG-CVEARBPZSA-N 2 1 306.450 3.133 20 0 DGADMP CC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001257441193 1106590199 /nfs/dbraw/zinc/59/01/99/1106590199.db2.gz VTXKMTAGEOJGPJ-FFZOFVMBSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001257441193 1106590200 /nfs/dbraw/zinc/59/02/00/1106590200.db2.gz VTXKMTAGEOJGPJ-FFZOFVMBSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001257441193 1106590202 /nfs/dbraw/zinc/59/02/02/1106590202.db2.gz VTXKMTAGEOJGPJ-FFZOFVMBSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445984 1106591461 /nfs/dbraw/zinc/59/14/61/1106591461.db2.gz WANZGOMJBCBRHC-PBWTXFEYSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445984 1106591465 /nfs/dbraw/zinc/59/14/65/1106591465.db2.gz WANZGOMJBCBRHC-PBWTXFEYSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445984 1106591468 /nfs/dbraw/zinc/59/14/68/1106591468.db2.gz WANZGOMJBCBRHC-PBWTXFEYSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445984 1106591473 /nfs/dbraw/zinc/59/14/73/1106591473.db2.gz WANZGOMJBCBRHC-PBWTXFEYSA-N 2 1 301.478 3.412 20 0 DGADMP C(C1CCCC1)[N@H+]1CCO[C@@H]2C[NH+](C3CCCCC3)C[C@@H]2C1 ZINC001257457846 1106593941 /nfs/dbraw/zinc/59/39/41/1106593941.db2.gz PRSYRNZFTOURHP-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP C(C1CCCC1)[NH+]1CCO[C@@H]2C[N@@H+](C3CCCCC3)C[C@@H]2C1 ZINC001257457846 1106593943 /nfs/dbraw/zinc/59/39/43/1106593943.db2.gz PRSYRNZFTOURHP-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP C(C1CCCC1)[NH+]1CCO[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1 ZINC001257457846 1106593945 /nfs/dbraw/zinc/59/39/45/1106593945.db2.gz PRSYRNZFTOURHP-PKOBYXMFSA-N 2 1 306.494 3.142 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCCSC2)CC1 ZINC001257665654 1106616855 /nfs/dbraw/zinc/61/68/55/1106616855.db2.gz FFVLSXREOUUMLS-XIRDDKMYSA-N 2 1 305.491 3.049 20 0 DGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257666162 1106617077 /nfs/dbraw/zinc/61/70/77/1106617077.db2.gz JVGLMAFTMKJHQA-ZDUSSCGKSA-N 2 1 310.894 3.485 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC001257901225 1106643662 /nfs/dbraw/zinc/64/36/62/1106643662.db2.gz AWZWJCKOHWXCKW-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC001257901225 1106643665 /nfs/dbraw/zinc/64/36/65/1106643665.db2.gz AWZWJCKOHWXCKW-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001258008675 1106657484 /nfs/dbraw/zinc/65/74/84/1106657484.db2.gz CKGQRLZPPMVNTR-IZAXUBKRSA-N 2 1 309.542 3.349 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC001258017758 1106659239 /nfs/dbraw/zinc/65/92/39/1106659239.db2.gz OGYIVJDBVMCRJK-UHFFFAOYSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001258020475 1106660180 /nfs/dbraw/zinc/66/01/80/1106660180.db2.gz VNVBTZGHESWYNT-IBGZPJMESA-N 2 1 320.452 3.399 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001258020475 1106660183 /nfs/dbraw/zinc/66/01/83/1106660183.db2.gz VNVBTZGHESWYNT-IBGZPJMESA-N 2 1 320.452 3.399 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258124564 1106676752 /nfs/dbraw/zinc/67/67/52/1106676752.db2.gz IYQHSGLOQXNWCQ-SQNIBIBYSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258124564 1106676756 /nfs/dbraw/zinc/67/67/56/1106676756.db2.gz IYQHSGLOQXNWCQ-SQNIBIBYSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258124564 1106676759 /nfs/dbraw/zinc/67/67/59/1106676759.db2.gz IYQHSGLOQXNWCQ-SQNIBIBYSA-N 2 1 324.509 3.447 20 0 DGADMP C[N@H+](C1CC(F)(F)C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141343 1106679625 /nfs/dbraw/zinc/67/96/25/1106679625.db2.gz ZDNQHEUTIFSVOA-UHFFFAOYSA-N 2 1 308.416 3.423 20 0 DGADMP C[N@@H+](C1CC(F)(F)C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141343 1106679629 /nfs/dbraw/zinc/67/96/29/1106679629.db2.gz ZDNQHEUTIFSVOA-UHFFFAOYSA-N 2 1 308.416 3.423 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258190113 1106692392 /nfs/dbraw/zinc/69/23/92/1106692392.db2.gz UPVHARPTUJNCCB-HZPDHXFCSA-N 2 1 320.477 3.222 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001258406655 1106732870 /nfs/dbraw/zinc/73/28/70/1106732870.db2.gz UIMYHHADGIKZSV-APWZRJJASA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001258406655 1106732875 /nfs/dbraw/zinc/73/28/75/1106732875.db2.gz UIMYHHADGIKZSV-APWZRJJASA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001258406655 1106732877 /nfs/dbraw/zinc/73/28/77/1106732877.db2.gz UIMYHHADGIKZSV-APWZRJJASA-N 2 1 302.462 3.044 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258485281 1106774256 /nfs/dbraw/zinc/77/42/56/1106774256.db2.gz BNXVPGYBVGMHHG-ZOBUZTSGSA-N 2 1 310.482 3.233 20 0 DGADMP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)CCC(C)C)c(C)n1 ZINC001320026782 1106795076 /nfs/dbraw/zinc/79/50/76/1106795076.db2.gz NJBWRLUSZVQQMO-UHFFFAOYSA-N 2 1 305.466 3.057 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541274 1106809635 /nfs/dbraw/zinc/80/96/35/1106809635.db2.gz FKFADOHMXXSVFK-PBHICJAKSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541274 1106809658 /nfs/dbraw/zinc/80/96/58/1106809658.db2.gz FKFADOHMXXSVFK-PBHICJAKSA-N 2 1 321.896 3.239 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258602976 1106843699 /nfs/dbraw/zinc/84/36/99/1106843699.db2.gz FDWQSTYTWIUKRT-OAHLLOKOSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258602976 1106843709 /nfs/dbraw/zinc/84/37/09/1106843709.db2.gz FDWQSTYTWIUKRT-OAHLLOKOSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258602976 1106843720 /nfs/dbraw/zinc/84/37/20/1106843720.db2.gz FDWQSTYTWIUKRT-OAHLLOKOSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258602976 1106843733 /nfs/dbraw/zinc/84/37/33/1106843733.db2.gz FDWQSTYTWIUKRT-OAHLLOKOSA-N 2 1 304.482 3.118 20 0 DGADMP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258610539 1106852296 /nfs/dbraw/zinc/85/22/96/1106852296.db2.gz PRODTKVHXAWGNB-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258627122 1106861770 /nfs/dbraw/zinc/86/17/70/1106861770.db2.gz IFERALQUBAWCJO-MJGOQNOKSA-N 2 1 301.478 3.353 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258658770 1106886033 /nfs/dbraw/zinc/88/60/33/1106886033.db2.gz LBVCRFXCYZDWQN-XUVXKRRUSA-N 2 1 316.489 3.050 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258658770 1106886047 /nfs/dbraw/zinc/88/60/47/1106886047.db2.gz LBVCRFXCYZDWQN-XUVXKRRUSA-N 2 1 316.489 3.050 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001258658770 1106886069 /nfs/dbraw/zinc/88/60/69/1106886069.db2.gz LBVCRFXCYZDWQN-XUVXKRRUSA-N 2 1 316.489 3.050 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001258658770 1106886083 /nfs/dbraw/zinc/88/60/83/1106886083.db2.gz LBVCRFXCYZDWQN-XUVXKRRUSA-N 2 1 316.489 3.050 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001320265749 1106942386 /nfs/dbraw/zinc/94/23/86/1106942386.db2.gz QJNBLUYSJKIQCJ-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001320265749 1106942400 /nfs/dbraw/zinc/94/24/00/1106942400.db2.gz QJNBLUYSJKIQCJ-IBGZPJMESA-N 2 1 309.457 3.044 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@@H+](C3CC[NH+](CCC)CC3)C2)n1 ZINC001258775798 1106967427 /nfs/dbraw/zinc/96/74/27/1106967427.db2.gz FESVWCDPCHHWCA-OAHLLOKOSA-N 2 1 320.481 3.076 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@H+](C3CC[NH+](CCC)CC3)C2)n1 ZINC001258775798 1106967439 /nfs/dbraw/zinc/96/74/39/1106967439.db2.gz FESVWCDPCHHWCA-OAHLLOKOSA-N 2 1 320.481 3.076 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001258807767 1106991435 /nfs/dbraw/zinc/99/14/35/1106991435.db2.gz UMIMBRHVFZHOSN-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258843100 1107019724 /nfs/dbraw/zinc/01/97/24/1107019724.db2.gz XFYNNUAJYWPEMB-WOJBJXKFSA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258843100 1107019739 /nfs/dbraw/zinc/01/97/39/1107019739.db2.gz XFYNNUAJYWPEMB-WOJBJXKFSA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C(=O)OC(C)(C)C ZINC001258903185 1107050139 /nfs/dbraw/zinc/05/01/39/1107050139.db2.gz MSTITIGAOIKNGV-GJZGRUSLSA-N 2 1 300.487 3.207 20 0 DGADMP CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258902540 1107050702 /nfs/dbraw/zinc/05/07/02/1107050702.db2.gz WDHBAFGSKSCNQD-CABCVRRESA-N 2 1 318.477 3.156 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001258907131 1107054833 /nfs/dbraw/zinc/05/48/33/1107054833.db2.gz GIXNERUGXUZMNS-CABCVRRESA-N 2 1 324.431 3.276 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321195113 1107281017 /nfs/dbraw/zinc/28/10/17/1107281017.db2.gz CNEMFKCOIFNDNO-UHFFFAOYSA-N 2 1 323.444 3.162 20 0 DGADMP Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC001261200069 1107357769 /nfs/dbraw/zinc/35/77/69/1107357769.db2.gz KPSFTMBHUZBFEQ-IBGZPJMESA-N 2 1 312.413 3.060 20 0 DGADMP Cc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC001261200069 1107357782 /nfs/dbraw/zinc/35/77/82/1107357782.db2.gz KPSFTMBHUZBFEQ-IBGZPJMESA-N 2 1 312.413 3.060 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC(O)CC2)C1 ZINC001261252172 1107373468 /nfs/dbraw/zinc/37/34/68/1107373468.db2.gz ALBBJIWYQIBSCC-BMHOQUIDSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCC(O)CC2)C1 ZINC001261252172 1107373478 /nfs/dbraw/zinc/37/34/78/1107373478.db2.gz ALBBJIWYQIBSCC-BMHOQUIDSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC001261252172 1107373482 /nfs/dbraw/zinc/37/34/82/1107373482.db2.gz ALBBJIWYQIBSCC-BMHOQUIDSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(Br)o1 ZINC001261423091 1107428071 /nfs/dbraw/zinc/42/80/71/1107428071.db2.gz OEGIHPGKDSIOLJ-VIFPVBQESA-N 2 1 324.222 3.055 20 0 DGADMP CCC[NH+](CCC)CCCc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001261480302 1107441444 /nfs/dbraw/zinc/44/14/44/1107441444.db2.gz LWHMJTGMHQFZSA-QGZVFWFLSA-N 2 1 316.449 3.172 20 0 DGADMP CC(C)C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001261502004 1107452008 /nfs/dbraw/zinc/45/20/08/1107452008.db2.gz WAZJBXBVWROIAJ-MRXNPFEDSA-N 2 1 317.477 3.245 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001261515708 1107457827 /nfs/dbraw/zinc/45/78/27/1107457827.db2.gz QFNYXCCSDLMZNT-OHHBCXFOSA-N 2 1 318.436 3.031 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001317693281 1107607371 /nfs/dbraw/zinc/60/73/71/1107607371.db2.gz IYUBMEPIEQEKEC-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001317693281 1107607377 /nfs/dbraw/zinc/60/73/77/1107607377.db2.gz IYUBMEPIEQEKEC-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001317693281 1107607382 /nfs/dbraw/zinc/60/73/82/1107607382.db2.gz IYUBMEPIEQEKEC-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4cnccc4c3)C[C@H]2C1 ZINC001262378500 1107705998 /nfs/dbraw/zinc/70/59/98/1107705998.db2.gz DIXYVRSEHFTKNT-XUVXKRRUSA-N 2 1 309.457 3.397 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC001322615081 1107716173 /nfs/dbraw/zinc/71/61/73/1107716173.db2.gz QBSDWTJNIVQOOM-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC(C)(C)C[NH3+])cc2)C1 ZINC001263094772 1107943819 /nfs/dbraw/zinc/94/38/19/1107943819.db2.gz RKTBCLBYDHMZNO-HNNXBMFYSA-N 2 1 317.477 3.232 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[nH]n1 ZINC001318368485 1107964175 /nfs/dbraw/zinc/96/41/75/1107964175.db2.gz UOFDTTHXOLWHOB-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[nH]n1 ZINC001323451855 1107979825 /nfs/dbraw/zinc/97/98/25/1107979825.db2.gz KTKFHBUNQFKNIM-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)[nH]n1 ZINC001318419048 1107992716 /nfs/dbraw/zinc/99/27/16/1107992716.db2.gz QDUDGIRBLMVXMM-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[nH]n1 ZINC001318419048 1107992725 /nfs/dbraw/zinc/99/27/25/1107992725.db2.gz QDUDGIRBLMVXMM-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc2)cn1 ZINC001323768423 1108078713 /nfs/dbraw/zinc/07/87/13/1108078713.db2.gz PSCYHCXKPUSJPE-QUCCMNQESA-N 2 1 324.472 3.003 20 0 DGADMP C[C@@H]1CCc2nc(CN3CCC[C@H]4C[N@@H+](C)CC[C@H]43)sc2C1 ZINC001324456061 1108296640 /nfs/dbraw/zinc/29/66/40/1108296640.db2.gz NKSFSZMCETWXIU-IJEWVQPXSA-N 2 1 319.518 3.184 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC001319198190 1108361652 /nfs/dbraw/zinc/36/16/52/1108361652.db2.gz ATQUAYYULWYHKQ-CVEARBPZSA-N 2 1 320.477 3.395 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319201300 1108364110 /nfs/dbraw/zinc/36/41/10/1108364110.db2.gz PSCMOKNKAXSROG-QRVBRYPASA-N 2 1 322.468 3.236 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC001325267249 1108609043 /nfs/dbraw/zinc/60/90/43/1108609043.db2.gz KWYRHJAVPVEPDM-OAHLLOKOSA-N 2 1 314.477 3.257 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319762072 1108625616 /nfs/dbraw/zinc/62/56/16/1108625616.db2.gz BIUYCTWZBBPAGI-XOKHGSTOSA-N 2 1 321.440 3.005 20 0 DGADMP CCOc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1OC ZINC001319771642 1108630487 /nfs/dbraw/zinc/63/04/87/1108630487.db2.gz AXVUZJGQLNUPJW-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1OC ZINC001319771642 1108630492 /nfs/dbraw/zinc/63/04/92/1108630492.db2.gz AXVUZJGQLNUPJW-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC001319771642 1108630495 /nfs/dbraw/zinc/63/04/95/1108630495.db2.gz AXVUZJGQLNUPJW-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC001319771642 1108630497 /nfs/dbraw/zinc/63/04/97/1108630497.db2.gz AXVUZJGQLNUPJW-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3CC[C@@H]2C)[C@H](C)C1 ZINC001319784174 1108634927 /nfs/dbraw/zinc/63/49/27/1108634927.db2.gz MIDGUSLVNIYVFV-AOIWGVFYSA-N 2 1 315.505 3.148 20 0 DGADMP Fc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2ncccc12 ZINC000391013941 1108684307 /nfs/dbraw/zinc/68/43/07/1108684307.db2.gz UUXNXMDVKOUAOQ-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2ncccc12 ZINC000391013941 1108684313 /nfs/dbraw/zinc/68/43/13/1108684313.db2.gz UUXNXMDVKOUAOQ-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000393512631 1109028628 /nfs/dbraw/zinc/02/86/28/1109028628.db2.gz JXMKFMBNIYJUCX-FOIPXRHGSA-N 2 1 308.510 3.434 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000393512631 1109028631 /nfs/dbraw/zinc/02/86/31/1109028631.db2.gz JXMKFMBNIYJUCX-FOIPXRHGSA-N 2 1 308.510 3.434 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000393512632 1109028771 /nfs/dbraw/zinc/02/87/71/1109028771.db2.gz JXMKFMBNIYJUCX-HIEASXQVSA-N 2 1 308.510 3.434 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000393512632 1109028775 /nfs/dbraw/zinc/02/87/75/1109028775.db2.gz JXMKFMBNIYJUCX-HIEASXQVSA-N 2 1 308.510 3.434 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702645595 1109084619 /nfs/dbraw/zinc/08/46/19/1109084619.db2.gz YECFXYHGVSIJCM-QUCCMNQESA-N 2 1 318.505 3.429 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645595 1109084625 /nfs/dbraw/zinc/08/46/25/1109084625.db2.gz YECFXYHGVSIJCM-QUCCMNQESA-N 2 1 318.505 3.429 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394058807 1109089490 /nfs/dbraw/zinc/08/94/90/1109089490.db2.gz DUKKVXLZWOSPJT-XPKDYRNWSA-N 2 1 323.278 3.064 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266237739 1109135950 /nfs/dbraw/zinc/13/59/50/1109135950.db2.gz CEMVATIKWXJVCE-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266237739 1109135954 /nfs/dbraw/zinc/13/59/54/1109135954.db2.gz CEMVATIKWXJVCE-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266237739 1109135956 /nfs/dbraw/zinc/13/59/56/1109135956.db2.gz CEMVATIKWXJVCE-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282667592 1109548419 /nfs/dbraw/zinc/54/84/19/1109548419.db2.gz YWYGDKJVMKRYTD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282667592 1109548424 /nfs/dbraw/zinc/54/84/24/1109548424.db2.gz YWYGDKJVMKRYTD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001282667592 1109548425 /nfs/dbraw/zinc/54/84/25/1109548425.db2.gz YWYGDKJVMKRYTD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CCN1C ZINC001307516229 1111309002 /nfs/dbraw/zinc/30/90/02/1111309002.db2.gz DVYUQQCDJDJRNK-OLZOCXBDSA-N 2 1 314.832 3.272 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001307516229 1111309006 /nfs/dbraw/zinc/30/90/06/1111309006.db2.gz DVYUQQCDJDJRNK-OLZOCXBDSA-N 2 1 314.832 3.272 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC001307516229 1111309017 /nfs/dbraw/zinc/30/90/17/1111309017.db2.gz DVYUQQCDJDJRNK-OLZOCXBDSA-N 2 1 314.832 3.272 20 0 DGADMP CN(CC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001307525584 1111312229 /nfs/dbraw/zinc/31/22/29/1111312229.db2.gz IWIGFZXYLLOOQB-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001308003480 1111365249 /nfs/dbraw/zinc/36/52/49/1111365249.db2.gz VTRWAKWUQXGLQQ-RBUKOAKNSA-N 2 1 310.526 3.370 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308149814 1111384438 /nfs/dbraw/zinc/38/44/38/1111384438.db2.gz OTSCATXPGHXDMC-SFHVURJKSA-N 2 1 313.445 3.384 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308149814 1111384441 /nfs/dbraw/zinc/38/44/41/1111384441.db2.gz OTSCATXPGHXDMC-SFHVURJKSA-N 2 1 313.445 3.384 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308149814 1111384444 /nfs/dbraw/zinc/38/44/44/1111384444.db2.gz OTSCATXPGHXDMC-SFHVURJKSA-N 2 1 313.445 3.384 20 0 DGADMP CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001308156896 1111386353 /nfs/dbraw/zinc/38/63/53/1111386353.db2.gz RQSXYFAMJJTFRE-RTBURBONSA-N 2 1 302.462 3.282 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001308197800 1111395460 /nfs/dbraw/zinc/39/54/60/1111395460.db2.gz QCXRMRMXHJAJGO-UHFFFAOYSA-N 2 1 318.486 3.473 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2C)cc1 ZINC001308201030 1111396106 /nfs/dbraw/zinc/39/61/06/1111396106.db2.gz WXFUJPJZIPXVIA-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001308254545 1111405466 /nfs/dbraw/zinc/40/54/66/1111405466.db2.gz UAMBTFIZIAWOBO-IEBWSBKVSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1ccc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC001308367873 1111422358 /nfs/dbraw/zinc/42/23/58/1111422358.db2.gz KODWQLQYYIQGTP-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC001308452019 1111429817 /nfs/dbraw/zinc/42/98/17/1111429817.db2.gz AELBUGLWISELSP-CQSZACIVSA-N 2 1 312.523 3.228 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3scnc3c2)[C@H](C)C1 ZINC001308567486 1111445483 /nfs/dbraw/zinc/44/54/83/1111445483.db2.gz HKNPHRFONBVFJA-CJNGLKHVSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3scnc3c2)[C@H](C)C1 ZINC001308567486 1111445486 /nfs/dbraw/zinc/44/54/86/1111445486.db2.gz HKNPHRFONBVFJA-CJNGLKHVSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3scnc3c2)[C@H](C)C1 ZINC001308567486 1111445488 /nfs/dbraw/zinc/44/54/88/1111445488.db2.gz HKNPHRFONBVFJA-CJNGLKHVSA-N 2 1 303.475 3.458 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC001308740409 1111468213 /nfs/dbraw/zinc/46/82/13/1111468213.db2.gz KICNLMGRUZSHRG-MSOLQXFVSA-N 2 1 309.542 3.161 20 0 DGADMP CCC[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001308930958 1111495714 /nfs/dbraw/zinc/49/57/14/1111495714.db2.gz NYADYJHEWFMQJX-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001308930958 1111495716 /nfs/dbraw/zinc/49/57/16/1111495716.db2.gz NYADYJHEWFMQJX-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001308930958 1111495720 /nfs/dbraw/zinc/49/57/20/1111495720.db2.gz NYADYJHEWFMQJX-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000278459558 214167551 /nfs/dbraw/zinc/16/75/51/214167551.db2.gz XNVDVDCLLDDPLC-INIZCTEOSA-N 2 1 304.503 3.302 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000278479208 214180102 /nfs/dbraw/zinc/18/01/02/214180102.db2.gz KNRSKHPPTFDYMM-NJAFHUGGSA-N 2 1 304.503 3.240 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCSC2)cc1F ZINC000278580614 214251745 /nfs/dbraw/zinc/25/17/45/214251745.db2.gz YJMWPEHCGRVJRO-CQSZACIVSA-N 2 1 305.422 3.163 20 0 DGADMP Cc1[nH+]ccn1CCCSCC[N@@H+](C)Cc1ccccc1 ZINC000278616795 214277901 /nfs/dbraw/zinc/27/79/01/214277901.db2.gz JKHXBOFQJUYVLQ-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP Cc1[nH+]ccn1CCCSCC[N@H+](C)Cc1ccccc1 ZINC000278616795 214277904 /nfs/dbraw/zinc/27/79/04/214277904.db2.gz JKHXBOFQJUYVLQ-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000414931041 546790391 /nfs/dbraw/zinc/79/03/91/546790391.db2.gz UAQHUIICMXEUJD-NEPJUHHUSA-N 2 1 317.658 3.462 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286564887 219056870 /nfs/dbraw/zinc/05/68/70/219056870.db2.gz PHJFIDQELWTIEK-UHFFFAOYSA-N 2 1 316.445 3.412 20 0 DGADMP C[C@]1(C[NH2+]Cc2cncs2)CC[N@H+](Cc2ccccc2)C1 ZINC000309639422 231101545 /nfs/dbraw/zinc/10/15/45/231101545.db2.gz BFBHTAKZQKHREI-QGZVFWFLSA-N 2 1 301.459 3.145 20 0 DGADMP C[C@]1(C[NH2+]Cc2cncs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309639422 231101549 /nfs/dbraw/zinc/10/15/49/231101549.db2.gz BFBHTAKZQKHREI-QGZVFWFLSA-N 2 1 301.459 3.145 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000309712934 231102296 /nfs/dbraw/zinc/10/22/96/231102296.db2.gz JWOUQRGJJBYZDS-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc2ccccc21 ZINC000320822592 231198854 /nfs/dbraw/zinc/19/88/54/231198854.db2.gz SPVYHSQDGDYSMD-CGTJXYLNSA-N 2 1 310.441 3.354 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc2ccccc21 ZINC000320822592 231198858 /nfs/dbraw/zinc/19/88/58/231198858.db2.gz SPVYHSQDGDYSMD-CGTJXYLNSA-N 2 1 310.441 3.354 20 0 DGADMP CCc1cc(NCC[N@H+](C)Cc2ccc(F)cc2)nc(C)[nH+]1 ZINC000302093838 529554759 /nfs/dbraw/zinc/55/47/59/529554759.db2.gz NFYKRTNSMRKHFX-UHFFFAOYSA-N 2 1 302.397 3.030 20 0 DGADMP CCc1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)nc(C)[nH+]1 ZINC000302093838 529554762 /nfs/dbraw/zinc/55/47/62/529554762.db2.gz NFYKRTNSMRKHFX-UHFFFAOYSA-N 2 1 302.397 3.030 20 0 DGADMP CCc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000302065674 529556647 /nfs/dbraw/zinc/55/66/47/529556647.db2.gz VWXZIOWNCXMETE-SFHVURJKSA-N 2 1 324.472 3.324 20 0 DGADMP CCc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000302065674 529556651 /nfs/dbraw/zinc/55/66/51/529556651.db2.gz VWXZIOWNCXMETE-SFHVURJKSA-N 2 1 324.472 3.324 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093944557 282210470 /nfs/dbraw/zinc/21/04/70/282210470.db2.gz UOUNUQJKWRUYIY-GJZGRUSLSA-N 2 1 300.450 3.244 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000292992052 529671481 /nfs/dbraw/zinc/67/14/81/529671481.db2.gz MJDHCIBSROUBQB-SZMVWBNQSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000292992052 529671485 /nfs/dbraw/zinc/67/14/85/529671485.db2.gz MJDHCIBSROUBQB-SZMVWBNQSA-N 2 1 304.478 3.179 20 0 DGADMP c1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000103229358 432005668 /nfs/dbraw/zinc/00/56/68/432005668.db2.gz RGSDYORXLDNEKY-LJQANCHMSA-N 2 1 301.478 3.212 20 0 DGADMP c1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000103229358 432005671 /nfs/dbraw/zinc/00/56/71/432005671.db2.gz RGSDYORXLDNEKY-LJQANCHMSA-N 2 1 301.478 3.212 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccnc1 ZINC000092821480 185343753 /nfs/dbraw/zinc/34/37/53/185343753.db2.gz XROXPMPLWHCITC-UHFFFAOYSA-N 2 1 310.445 3.215 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1 ZINC000092821674 185344232 /nfs/dbraw/zinc/34/42/32/185344232.db2.gz BQMWBZXPZHFCJY-UHFFFAOYSA-N 2 1 310.445 3.215 20 0 DGADMP C[C@@H]([NH2+]CCC[NH2+][C@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000181584914 199322440 /nfs/dbraw/zinc/32/24/40/199322440.db2.gz VAWHULOTCFFNBD-HUUCEWRRSA-N 2 1 314.429 3.489 20 0 DGADMP C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)C1CC[NH2+]CC1 ZINC000430646011 529895191 /nfs/dbraw/zinc/89/51/91/529895191.db2.gz VTHHMQCZTNUPFI-UHFFFAOYSA-N 2 1 304.478 3.437 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000430933361 529958914 /nfs/dbraw/zinc/95/89/14/529958914.db2.gz IAWQZXAXJMARML-UHFFFAOYSA-N 2 1 305.447 3.143 20 0 DGADMP C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435448316 530017147 /nfs/dbraw/zinc/01/71/47/530017147.db2.gz UUYIQWFCOKVVGV-INIZCTEOSA-N 2 1 318.852 3.100 20 0 DGADMP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435448316 530017150 /nfs/dbraw/zinc/01/71/50/530017150.db2.gz UUYIQWFCOKVVGV-INIZCTEOSA-N 2 1 318.852 3.100 20 0 DGADMP C[C@@H]1C[C@H](NCc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000130083693 432014686 /nfs/dbraw/zinc/01/46/86/432014686.db2.gz JXKUGXASJLBWHV-ZWNOBZJWSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000130083693 432014690 /nfs/dbraw/zinc/01/46/90/432014690.db2.gz JXKUGXASJLBWHV-ZWNOBZJWSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000130083693 432014691 /nfs/dbraw/zinc/01/46/91/432014691.db2.gz JXKUGXASJLBWHV-ZWNOBZJWSA-N 2 1 304.331 3.417 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000279674733 215052185 /nfs/dbraw/zinc/05/21/85/215052185.db2.gz FYJVUWGMYCIHIG-AZUAARDMSA-N 2 1 316.489 3.164 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000279674733 215052184 /nfs/dbraw/zinc/05/21/84/215052184.db2.gz FYJVUWGMYCIHIG-AZUAARDMSA-N 2 1 316.489 3.164 20 0 DGADMP Clc1ccc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000296325134 282524015 /nfs/dbraw/zinc/52/40/15/282524015.db2.gz FZKWYFPRYOWHIY-TZMCWYRMSA-N 2 1 316.836 3.161 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000279875467 215198710 /nfs/dbraw/zinc/19/87/10/215198710.db2.gz JXXSZJFYKNSEOA-UHFFFAOYSA-N 2 1 324.472 3.145 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cnccn1 ZINC000163933475 186142769 /nfs/dbraw/zinc/14/27/69/186142769.db2.gz DDMDARUJZPABBJ-MRXNPFEDSA-N 2 1 310.445 3.313 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OCCOC)cc1 ZINC000268749435 186377515 /nfs/dbraw/zinc/37/75/15/186377515.db2.gz UCNFHLRKUGFADA-INIZCTEOSA-N 2 1 308.466 3.094 20 0 DGADMP CC[C@@H](C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)[NH+]1CCCC1 ZINC000277169357 213341115 /nfs/dbraw/zinc/34/11/15/213341115.db2.gz GRGIZYXBSVTXJU-RDJZCZTQSA-N 2 1 320.477 3.186 20 0 DGADMP CSc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067453034 432030301 /nfs/dbraw/zinc/03/03/01/432030301.db2.gz GPBYMUSQJNKNGZ-IYBDPMFKSA-N 2 1 322.518 3.388 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000173491108 198220527 /nfs/dbraw/zinc/22/05/27/198220527.db2.gz HATIBKPQFSFYQW-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000173491108 198220530 /nfs/dbraw/zinc/22/05/30/198220530.db2.gz HATIBKPQFSFYQW-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491108 198220531 /nfs/dbraw/zinc/22/05/31/198220531.db2.gz HATIBKPQFSFYQW-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCO)CC[NH+]1Cc1ccccc1 ZINC000173491108 198220533 /nfs/dbraw/zinc/22/05/33/198220533.db2.gz HATIBKPQFSFYQW-HKUYNNGSSA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000174514658 198345106 /nfs/dbraw/zinc/34/51/06/198345106.db2.gz CGFCIXSLNCYCLM-TZMCWYRMSA-N 2 1 316.367 3.200 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000132316935 432047862 /nfs/dbraw/zinc/04/78/62/432047862.db2.gz AXDFUBKSQZVSLC-DKKFBQAASA-N 2 1 309.542 3.205 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1F ZINC000164616844 432049652 /nfs/dbraw/zinc/04/96/52/432049652.db2.gz HOYGCWHDFIJOMH-CYBMUJFWSA-N 2 1 305.397 3.470 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000164684981 432050969 /nfs/dbraw/zinc/05/09/69/432050969.db2.gz GADOKFSGAVTGDE-CQSZACIVSA-N 2 1 317.433 3.340 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164976059 432052724 /nfs/dbraw/zinc/05/27/24/432052724.db2.gz CJIANVIUSHJFEW-CVYDXHPNSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164976059 432052726 /nfs/dbraw/zinc/05/27/26/432052726.db2.gz CJIANVIUSHJFEW-CVYDXHPNSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164976059 432052729 /nfs/dbraw/zinc/05/27/29/432052729.db2.gz CJIANVIUSHJFEW-CVYDXHPNSA-N 2 1 321.534 3.061 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCOC1 ZINC000164957291 432053075 /nfs/dbraw/zinc/05/30/75/432053075.db2.gz FWDYSHBGEJTUDF-MPTYRVRUSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]1CCOC1 ZINC000164957291 432053076 /nfs/dbraw/zinc/05/30/76/432053076.db2.gz FWDYSHBGEJTUDF-MPTYRVRUSA-N 2 1 308.491 3.146 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000164890817 432052883 /nfs/dbraw/zinc/05/28/83/432052883.db2.gz XQTSOLZPNUAYRR-UHFFFAOYSA-N 2 1 307.482 3.278 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CCCO2 ZINC000165273235 432054402 /nfs/dbraw/zinc/05/44/02/432054402.db2.gz JAVCKBNUCGIVAN-QAPCUYQASA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166211486 432059540 /nfs/dbraw/zinc/05/95/40/432059540.db2.gz IONHKXCWWSSCFY-SCTDSRPQSA-N 2 1 302.462 3.086 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166321667 432059327 /nfs/dbraw/zinc/05/93/27/432059327.db2.gz HUQARCDKMNOUNT-IBGZPJMESA-N 2 1 302.462 3.073 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236906451 202062892 /nfs/dbraw/zinc/06/28/92/202062892.db2.gz YJOSTOLVZAJZFD-RLFYNMQTSA-N 2 1 317.477 3.373 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1)C(C)C ZINC000236923765 202073845 /nfs/dbraw/zinc/07/38/45/202073845.db2.gz ALXCJCVXQHTODK-IBGZPJMESA-N 2 1 319.493 3.020 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1)C(C)C ZINC000236923910 202074292 /nfs/dbraw/zinc/07/42/92/202074292.db2.gz YUEDBXKZVDHLPK-SFHVURJKSA-N 2 1 319.493 3.020 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000133346488 432060907 /nfs/dbraw/zinc/06/09/07/432060907.db2.gz SJLWJECPTQTUAT-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@@H+]1C ZINC000166703904 432061596 /nfs/dbraw/zinc/06/15/96/432061596.db2.gz SISQIRRKMKXMEO-CAMMJAKZSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@H+]1C ZINC000166703904 432061597 /nfs/dbraw/zinc/06/15/97/432061597.db2.gz SISQIRRKMKXMEO-CAMMJAKZSA-N 2 1 302.462 3.227 20 0 DGADMP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000276870629 213145873 /nfs/dbraw/zinc/14/58/73/213145873.db2.gz YJOLMVNQRNMKRJ-GOSISDBHSA-N 2 1 300.446 3.234 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696522 198913066 /nfs/dbraw/zinc/91/30/66/198913066.db2.gz JFGSNPUBDOHBJJ-LSDHHAIUSA-N 2 1 301.434 3.057 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000179638337 199068291 /nfs/dbraw/zinc/06/82/91/199068291.db2.gz VRROPVKIOLMQAR-AWEZNQCLSA-N 2 1 302.393 3.469 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000179638337 199068293 /nfs/dbraw/zinc/06/82/93/199068293.db2.gz VRROPVKIOLMQAR-AWEZNQCLSA-N 2 1 302.393 3.469 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)sc1Br ZINC000414959664 293894662 /nfs/dbraw/zinc/89/46/62/293894662.db2.gz XMPWNICCFHMECW-NXEZZACHSA-N 2 1 303.269 3.049 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415052188 237035896 /nfs/dbraw/zinc/03/58/96/237035896.db2.gz MRQKFDXTPYPKCF-XLIONFOSSA-N 2 1 324.472 3.145 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415037707 237024073 /nfs/dbraw/zinc/02/40/73/237024073.db2.gz HDZLZYYCLWTCMJ-RDJZCZTQSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415037707 237024085 /nfs/dbraw/zinc/02/40/85/237024085.db2.gz HDZLZYYCLWTCMJ-RDJZCZTQSA-N 2 1 306.425 3.188 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415039640 237027114 /nfs/dbraw/zinc/02/71/14/237027114.db2.gz JJUQZIMMWLDRKY-GDBMZVCRSA-N 2 1 310.388 3.252 20 0 DGADMP Cc1ccc(-c2cccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)c2)cc1 ZINC000415044648 237030294 /nfs/dbraw/zinc/03/02/94/237030294.db2.gz SOUKJJFVIVSKDH-FQEVSTJZSA-N 2 1 310.441 3.130 20 0 DGADMP Cc1ccc(-c2cccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)c2)cc1 ZINC000415044649 237030833 /nfs/dbraw/zinc/03/08/33/237030833.db2.gz SOUKJJFVIVSKDH-HXUWFJFHSA-N 2 1 310.441 3.130 20 0 DGADMP OCCC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1 ZINC000415089781 237073411 /nfs/dbraw/zinc/07/34/11/237073411.db2.gz YBUPVFWWNVEWTE-QZTJIDSGSA-N 2 1 302.462 3.012 20 0 DGADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000415104233 237079981 /nfs/dbraw/zinc/07/99/81/237079981.db2.gz KWTQSFHFIMFLDQ-CVEARBPZSA-N 2 1 301.459 3.343 20 0 DGADMP Cc1cccc(OCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415109559 237083204 /nfs/dbraw/zinc/08/32/04/237083204.db2.gz PSBWYOTYGPZRCV-ICSRJNTNSA-N 2 1 310.441 3.457 20 0 DGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415076375 237059292 /nfs/dbraw/zinc/05/92/92/237059292.db2.gz GIWCFQSJMAAJJS-BPLDGKMQSA-N 2 1 316.367 3.037 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000415082363 237063230 /nfs/dbraw/zinc/06/32/30/237063230.db2.gz LWNXZCRIPMTUMG-DOTOQJQBSA-N 2 1 301.459 3.077 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000415082369 237065431 /nfs/dbraw/zinc/06/54/31/237065431.db2.gz LWNXZCRIPMTUMG-RDJZCZTQSA-N 2 1 301.459 3.077 20 0 DGADMP COCc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415085416 237066947 /nfs/dbraw/zinc/06/69/47/237066947.db2.gz QNXFVGJVLOFYEY-UXHICEINSA-N 2 1 310.441 3.416 20 0 DGADMP c1ccc2cc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)ccc2c1 ZINC000415125344 237096434 /nfs/dbraw/zinc/09/64/34/237096434.db2.gz DJOJTLHIWSWTTO-UXHICEINSA-N 2 1 322.452 3.040 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000415128868 237102418 /nfs/dbraw/zinc/10/24/18/237102418.db2.gz OLQZBGODAHTEAK-GXTWGEPZSA-N 2 1 318.852 3.147 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415133628 237103111 /nfs/dbraw/zinc/10/31/11/237103111.db2.gz VGVKPUDCLBTGQQ-ONGXEEELSA-N 2 1 317.296 3.236 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415133628 237103122 /nfs/dbraw/zinc/10/31/22/237103122.db2.gz VGVKPUDCLBTGQQ-ONGXEEELSA-N 2 1 317.296 3.236 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000415136091 237104672 /nfs/dbraw/zinc/10/46/72/237104672.db2.gz XCUXWAUVKYDBAS-GXTWGEPZSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+]CC[NH2+]C(C)(C)C ZINC000415113697 237088177 /nfs/dbraw/zinc/08/81/77/237088177.db2.gz FEPFNJNBLULUMG-GFCCVEGCSA-N 2 1 313.283 3.358 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000187048845 200052876 /nfs/dbraw/zinc/05/28/76/200052876.db2.gz IOWBUNBMQZVGOF-UHFFFAOYSA-N 2 1 318.461 3.294 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2n1 ZINC000187353837 200100049 /nfs/dbraw/zinc/10/00/49/200100049.db2.gz WYCAATWGFOJWJA-SFHVURJKSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000237519106 202268558 /nfs/dbraw/zinc/26/85/58/202268558.db2.gz MEUZBVQOSMGIPN-WMLDXEAASA-N 2 1 317.477 3.373 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cn1 ZINC000237582606 202291919 /nfs/dbraw/zinc/29/19/19/202291919.db2.gz HMHZWTGIJSEOEW-OAHLLOKOSA-N 2 1 306.413 3.469 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328740 237696506 /nfs/dbraw/zinc/69/65/06/237696506.db2.gz MXXBKRIWFWVDJL-ZIAGYGMSSA-N 2 1 308.853 3.170 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(OC(F)F)c1)CC[NH2+]CC2 ZINC000424289129 237889720 /nfs/dbraw/zinc/88/97/20/237889720.db2.gz LQUIJMJLIUCSAC-ZDUSSCGKSA-N 2 1 310.388 3.252 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCCc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424376228 237895962 /nfs/dbraw/zinc/89/59/62/237895962.db2.gz KPVQNRJMTWAEJI-INIZCTEOSA-N 2 1 314.473 3.018 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174376 216130913 /nfs/dbraw/zinc/13/09/13/216130913.db2.gz ICNUCBNHRMIVNB-KSSFIOAISA-N 2 1 305.441 3.382 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174376 216130916 /nfs/dbraw/zinc/13/09/16/216130916.db2.gz ICNUCBNHRMIVNB-KSSFIOAISA-N 2 1 305.441 3.382 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C)cc1O ZINC000426409093 237971302 /nfs/dbraw/zinc/97/13/02/237971302.db2.gz DKJOELHVUYGYER-INIZCTEOSA-N 2 1 322.493 3.430 20 0 DGADMP c1cnn(CCCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134916381 432089887 /nfs/dbraw/zinc/08/98/87/432089887.db2.gz AMPMUAYPGVEGOX-MJGOQNOKSA-N 2 1 316.493 3.002 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134916381 432089889 /nfs/dbraw/zinc/08/98/89/432089889.db2.gz AMPMUAYPGVEGOX-MJGOQNOKSA-N 2 1 316.493 3.002 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134916381 432089891 /nfs/dbraw/zinc/08/98/91/432089891.db2.gz AMPMUAYPGVEGOX-MJGOQNOKSA-N 2 1 316.493 3.002 20 0 DGADMP COCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428225103 238012552 /nfs/dbraw/zinc/01/25/52/238012552.db2.gz XZFDKXOKTMFENO-HSALFYBXSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430938366 238090431 /nfs/dbraw/zinc/09/04/31/238090431.db2.gz BNUAYOFGIQPLLF-DOMZBBRYSA-N 2 1 316.367 3.143 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000434757298 238240946 /nfs/dbraw/zinc/24/09/46/238240946.db2.gz FZZYBQFFMALSIO-POAQFYNOSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000434757298 238240948 /nfs/dbraw/zinc/24/09/48/238240948.db2.gz FZZYBQFFMALSIO-POAQFYNOSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271920482 209324271 /nfs/dbraw/zinc/32/42/71/209324271.db2.gz UIDINUBLQIYTEK-UHFFFAOYSA-N 2 1 309.251 3.109 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271916070 209320245 /nfs/dbraw/zinc/32/02/45/209320245.db2.gz YTUIMETVQQDNAY-HNNXBMFYSA-N 2 1 310.445 3.093 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271916070 209320247 /nfs/dbraw/zinc/32/02/47/209320247.db2.gz YTUIMETVQQDNAY-HNNXBMFYSA-N 3 1 310.445 3.093 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271916070 209320249 /nfs/dbraw/zinc/32/02/49/209320249.db2.gz YTUIMETVQQDNAY-HNNXBMFYSA-N 3 1 310.445 3.093 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435387973 238298491 /nfs/dbraw/zinc/29/84/91/238298491.db2.gz CMXGRHNKJABUQJ-QGZVFWFLSA-N 2 1 314.404 3.185 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)sc1Br ZINC000435438083 238306251 /nfs/dbraw/zinc/30/62/51/238306251.db2.gz NPRCAXBFLHQTQT-LLVKDONJSA-N 2 1 317.296 3.393 20 0 DGADMP C[C@@H](CC[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000194421478 201223891 /nfs/dbraw/zinc/22/38/91/201223891.db2.gz ZHWATPOPKPUXDE-SFHVURJKSA-N 2 1 317.521 3.043 20 0 DGADMP COc1ccc(OCCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441360957 239042162 /nfs/dbraw/zinc/04/21/62/239042162.db2.gz STKMZIBIQXFKSD-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP COc1ccc(OCCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441360957 239042170 /nfs/dbraw/zinc/04/21/70/239042170.db2.gz STKMZIBIQXFKSD-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP COc1ccc(OCCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441360957 239042173 /nfs/dbraw/zinc/04/21/73/239042173.db2.gz STKMZIBIQXFKSD-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442720142 239114714 /nfs/dbraw/zinc/11/47/14/239114714.db2.gz SJFXZPCESUMGLS-BZUAXINKSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442720142 239114719 /nfs/dbraw/zinc/11/47/19/239114719.db2.gz SJFXZPCESUMGLS-BZUAXINKSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000442758328 239120769 /nfs/dbraw/zinc/12/07/69/239120769.db2.gz AGFKQYJDZPRHQB-CVEARBPZSA-N 2 1 304.478 3.422 20 0 DGADMP FC(F)C1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000442794138 239126142 /nfs/dbraw/zinc/12/61/42/239126142.db2.gz RQEJZEXYMLSXLA-UHFFFAOYSA-N 2 1 316.436 3.045 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067509 239171011 /nfs/dbraw/zinc/17/10/11/239171011.db2.gz GVUDEIMOPNRLGI-KBPBESRZSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443963411 239242718 /nfs/dbraw/zinc/24/27/18/239242718.db2.gz HXKAEOAFCUHSQX-SECBINFHSA-N 2 1 318.368 3.093 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000444000657 239249703 /nfs/dbraw/zinc/24/97/03/239249703.db2.gz WZNHOZIECBPFOX-UHFFFAOYSA-N 2 1 318.368 3.237 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1Cl ZINC000271838027 209256113 /nfs/dbraw/zinc/25/61/13/209256113.db2.gz GLBVVCDZVLOZLL-GFCCVEGCSA-N 2 1 324.852 3.270 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000292933472 223314619 /nfs/dbraw/zinc/31/46/19/223314619.db2.gz HEXYLEMVJBMSAA-AYOQOUSVSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000292933472 223314620 /nfs/dbraw/zinc/31/46/20/223314620.db2.gz HEXYLEMVJBMSAA-AYOQOUSVSA-N 2 1 302.462 3.054 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271814548 209239547 /nfs/dbraw/zinc/23/95/47/209239547.db2.gz BVHAUCBGQATERP-UHFFFAOYSA-N 2 1 315.244 3.354 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000268542322 432103560 /nfs/dbraw/zinc/10/35/60/432103560.db2.gz LEVCJRJUJAQHDB-IAGOWNOFSA-N 2 1 302.462 3.359 20 0 DGADMP FC(F)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275445766 212338165 /nfs/dbraw/zinc/33/81/65/212338165.db2.gz GEQBPSWLPWDDBY-HOTGVXAUSA-N 2 1 319.399 3.302 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449160368 240043765 /nfs/dbraw/zinc/04/37/65/240043765.db2.gz AWYSJQAIEIRJBF-UHFFFAOYSA-N 2 1 301.438 3.073 20 0 DGADMP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000449074903 240005360 /nfs/dbraw/zinc/00/53/60/240005360.db2.gz LQJVGRPVNIXWFX-MDCZIUGASA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449221472 240076138 /nfs/dbraw/zinc/07/61/38/240076138.db2.gz TVAAWDJLHPQDHY-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449221472 240076142 /nfs/dbraw/zinc/07/61/42/240076142.db2.gz TVAAWDJLHPQDHY-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293001825 223346882 /nfs/dbraw/zinc/34/68/82/223346882.db2.gz GUNYWMFIKPLNAO-QGZVFWFLSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293001825 223346884 /nfs/dbraw/zinc/34/68/84/223346884.db2.gz GUNYWMFIKPLNAO-QGZVFWFLSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449400698 240177012 /nfs/dbraw/zinc/17/70/12/240177012.db2.gz CPWMQBDKRHVLOI-FXAWDEMLSA-N 2 1 309.457 3.390 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000449400493 240177181 /nfs/dbraw/zinc/17/71/81/240177181.db2.gz IXSMWOCQPAEXRC-ICSRJNTNSA-N 2 1 316.489 3.271 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000246193777 432105530 /nfs/dbraw/zinc/10/55/30/432105530.db2.gz OFMRLMGGFBPDJR-HKUYNNGSSA-N 2 1 315.505 3.497 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449752249 240399973 /nfs/dbraw/zinc/39/99/73/240399973.db2.gz BUOPNCOMCDBTHJ-GSEOLPGOSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271788152 209216473 /nfs/dbraw/zinc/21/64/73/209216473.db2.gz MGFZDIVULXVGPS-CYBMUJFWSA-N 2 1 317.408 3.470 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000453070081 241611755 /nfs/dbraw/zinc/61/17/55/241611755.db2.gz ZVCUDPSEACTXNH-ZWKOTPCHSA-N 2 1 306.498 3.152 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000092165395 193169315 /nfs/dbraw/zinc/16/93/15/193169315.db2.gz IUDIWGLLBRYMNG-UHFFFAOYSA-N 2 1 316.449 3.284 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000092165395 193169317 /nfs/dbraw/zinc/16/93/17/193169317.db2.gz IUDIWGLLBRYMNG-UHFFFAOYSA-N 2 1 316.449 3.284 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000092165709 193170076 /nfs/dbraw/zinc/17/00/76/193170076.db2.gz JFHANELGLUPTCD-UHFFFAOYSA-N 2 1 306.450 3.010 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000092165709 193170078 /nfs/dbraw/zinc/17/00/78/193170078.db2.gz JFHANELGLUPTCD-UHFFFAOYSA-N 2 1 306.450 3.010 20 0 DGADMP CCCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253790 193180710 /nfs/dbraw/zinc/18/07/10/193180710.db2.gz PBQAEGMPVJSGBB-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253790 193180712 /nfs/dbraw/zinc/18/07/12/193180712.db2.gz PBQAEGMPVJSGBB-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253790 193180713 /nfs/dbraw/zinc/18/07/13/193180713.db2.gz PBQAEGMPVJSGBB-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253790 193180715 /nfs/dbraw/zinc/18/07/15/193180715.db2.gz PBQAEGMPVJSGBB-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP C[C@@H](NCc1cnc(C2CC2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459237 243378484 /nfs/dbraw/zinc/37/84/84/243378484.db2.gz HYWYESUKRZGGGG-PBHICJAKSA-N 2 1 314.477 3.097 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459459237 243378485 /nfs/dbraw/zinc/37/84/85/243378485.db2.gz HYWYESUKRZGGGG-PBHICJAKSA-N 2 1 314.477 3.097 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459237 243378490 /nfs/dbraw/zinc/37/84/90/243378490.db2.gz HYWYESUKRZGGGG-PBHICJAKSA-N 2 1 314.477 3.097 20 0 DGADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1cccc(C)c1 ZINC000469078738 244083693 /nfs/dbraw/zinc/08/36/93/244083693.db2.gz ULQDLAXWJKGPRA-PKOBYXMFSA-N 2 1 303.494 3.141 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000469983941 244137096 /nfs/dbraw/zinc/13/70/96/244137096.db2.gz RMHHVYZQKVXBII-ZFWWWQNUSA-N 2 1 312.379 3.494 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccsc2)[C@H](C)C1 ZINC000469787561 244122841 /nfs/dbraw/zinc/12/28/41/244122841.db2.gz PNHKSBVTUQNCQL-SJLPKXTDSA-N 2 1 324.534 3.407 20 0 DGADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471839957 244257331 /nfs/dbraw/zinc/25/73/31/244257331.db2.gz QSUFUSRCCZKLIM-VQTJNVASSA-N 2 1 318.505 3.475 20 0 DGADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262110465 203201243 /nfs/dbraw/zinc/20/12/43/203201243.db2.gz GYTSOMSRKJJFGK-BEFAXECRSA-N 2 1 317.477 3.375 20 0 DGADMP Cc1cnc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873609 244261292 /nfs/dbraw/zinc/26/12/92/244261292.db2.gz UBOTXRRVXYCJCB-MSOLQXFVSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cnc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000471873609 244261295 /nfs/dbraw/zinc/26/12/95/244261295.db2.gz UBOTXRRVXYCJCB-MSOLQXFVSA-N 2 1 313.445 3.155 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000246324684 432120173 /nfs/dbraw/zinc/12/01/73/432120173.db2.gz FQHQUUNDPSZPFX-AZUAARDMSA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ncccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336994 193233845 /nfs/dbraw/zinc/23/38/45/193233845.db2.gz HNPYSFRWSBKAKC-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1ncccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336994 193233847 /nfs/dbraw/zinc/23/38/47/193233847.db2.gz HNPYSFRWSBKAKC-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1ncccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336994 193233849 /nfs/dbraw/zinc/23/38/49/193233849.db2.gz HNPYSFRWSBKAKC-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1ncccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336994 193233851 /nfs/dbraw/zinc/23/38/51/193233851.db2.gz HNPYSFRWSBKAKC-LJQANCHMSA-N 2 1 309.457 3.344 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)c1C ZINC000093741941 193298073 /nfs/dbraw/zinc/29/80/73/193298073.db2.gz LGPBTVDUOVPTGN-QGZVFWFLSA-N 2 1 306.498 3.074 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)c1C ZINC000093741941 193298075 /nfs/dbraw/zinc/29/80/75/193298075.db2.gz LGPBTVDUOVPTGN-QGZVFWFLSA-N 2 1 306.498 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)c1C ZINC000093741941 193298077 /nfs/dbraw/zinc/29/80/77/193298077.db2.gz LGPBTVDUOVPTGN-QGZVFWFLSA-N 2 1 306.498 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)c1C ZINC000093741941 193298079 /nfs/dbraw/zinc/29/80/79/193298079.db2.gz LGPBTVDUOVPTGN-QGZVFWFLSA-N 2 1 306.498 3.074 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2Cl)[C@@H](C)C1 ZINC000246351803 432120819 /nfs/dbraw/zinc/12/08/19/432120819.db2.gz HTOLUSGUIZWVOO-DZKIICNBSA-N 2 1 310.869 3.427 20 0 DGADMP Cc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844250 193317217 /nfs/dbraw/zinc/31/72/17/193317217.db2.gz HVOHCNYCLPANIF-CALCHBBNSA-N 2 1 320.477 3.299 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000121450303 284197600 /nfs/dbraw/zinc/19/76/00/284197600.db2.gz KGQLYYQQNNYMID-YJLNNSPDSA-N 2 1 302.462 3.089 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000121450303 284197602 /nfs/dbraw/zinc/19/76/02/284197602.db2.gz KGQLYYQQNNYMID-YJLNNSPDSA-N 2 1 302.462 3.089 20 0 DGADMP C(=C/c1ccncc1)\C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000486989562 245011845 /nfs/dbraw/zinc/01/18/45/245011845.db2.gz MOKFGEFXHJBQEZ-HWKANZROSA-N 2 1 307.441 3.133 20 0 DGADMP C(=C/c1ccncc1)\C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000486989562 245011852 /nfs/dbraw/zinc/01/18/52/245011852.db2.gz MOKFGEFXHJBQEZ-HWKANZROSA-N 2 1 307.441 3.133 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122819485 284226248 /nfs/dbraw/zinc/22/62/48/284226248.db2.gz MNNVBMPEAJIFMX-IJEWVQPXSA-N 2 1 318.461 3.011 20 0 DGADMP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000488442720 245193941 /nfs/dbraw/zinc/19/39/41/245193941.db2.gz FQEYQOYBWIOOKV-GGXPGOJBSA-N 2 1 302.462 3.041 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268705307 432123279 /nfs/dbraw/zinc/12/32/79/432123279.db2.gz IARMFGOZIYGPSL-HKUYNNGSSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268705307 432123281 /nfs/dbraw/zinc/12/32/81/432123281.db2.gz IARMFGOZIYGPSL-HKUYNNGSSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[NH+]1CCC(N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000268705061 432123778 /nfs/dbraw/zinc/12/37/78/432123778.db2.gz BMJJTEXHYVBEDC-AWEZNQCLSA-N 2 1 302.418 3.194 20 0 DGADMP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264714149 204095734 /nfs/dbraw/zinc/09/57/34/204095734.db2.gz TVLYISRZJVSWCK-UHFFFAOYSA-N 2 1 322.412 3.162 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282613972 217126653 /nfs/dbraw/zinc/12/66/53/217126653.db2.gz IWJOEIQSRGBVIJ-UHFFFAOYSA-N 2 1 323.444 3.080 20 0 DGADMP c1c[nH]c([C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc2)n1 ZINC000127456445 284340544 /nfs/dbraw/zinc/34/05/44/284340544.db2.gz BJSVCPQWLXQGNM-RBUKOAKNSA-N 2 1 324.472 3.353 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000282879169 217296139 /nfs/dbraw/zinc/29/61/39/217296139.db2.gz VQHNOFFVTHDDCM-RBUKOAKNSA-N 2 1 314.473 3.066 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cscn2)CC1 ZINC000171384522 432129574 /nfs/dbraw/zinc/12/95/74/432129574.db2.gz LMQZUQBECPMLNX-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cscn2)CC1 ZINC000171384522 432129577 /nfs/dbraw/zinc/12/95/77/432129577.db2.gz LMQZUQBECPMLNX-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268775300 432130880 /nfs/dbraw/zinc/13/08/80/432130880.db2.gz RHHORGVSWMSTCR-MRXNPFEDSA-N 2 1 300.450 3.253 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772190 432131223 /nfs/dbraw/zinc/13/12/23/432131223.db2.gz MAZKWZSDDSGYLN-KFKAGJAMSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000268772190 432131224 /nfs/dbraw/zinc/13/12/24/432131224.db2.gz MAZKWZSDDSGYLN-KFKAGJAMSA-N 2 1 310.445 3.150 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783649 432133205 /nfs/dbraw/zinc/13/32/05/432133205.db2.gz VBOHCCJHWJILPB-KRWDZBQOSA-N 3 1 321.509 3.008 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493933192 246097056 /nfs/dbraw/zinc/09/70/56/246097056.db2.gz CYKIXAZHRVXQTJ-XWTMOSNGSA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493933192 246097060 /nfs/dbraw/zinc/09/70/60/246097060.db2.gz CYKIXAZHRVXQTJ-XWTMOSNGSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1CC[NH+](C/C=C\C[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000494146461 246116875 /nfs/dbraw/zinc/11/68/75/246116875.db2.gz SZMXZVLZFBYCJO-JGPFYOFESA-N 2 1 314.564 3.197 20 0 DGADMP Fc1cncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000494551484 246163802 /nfs/dbraw/zinc/16/38/02/246163802.db2.gz ZUFWKMLKDSCGQF-UHFFFAOYSA-N 2 1 313.420 3.496 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267514572 206119196 /nfs/dbraw/zinc/11/91/96/206119196.db2.gz LCVXWJLMXOTOQW-PKOBYXMFSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267514572 206119199 /nfs/dbraw/zinc/11/91/99/206119199.db2.gz LCVXWJLMXOTOQW-PKOBYXMFSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000268795213 432136201 /nfs/dbraw/zinc/13/62/01/432136201.db2.gz ZPIMKXLAHSFLHD-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000268795213 432136207 /nfs/dbraw/zinc/13/62/07/432136207.db2.gz ZPIMKXLAHSFLHD-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262530516 296229685 /nfs/dbraw/zinc/22/96/85/296229685.db2.gz PLYYBYQXHJTTLH-WFASDCNBSA-N 2 1 314.351 3.332 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268811099 432138524 /nfs/dbraw/zinc/13/85/24/432138524.db2.gz AXBXOXNASBYIFO-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268811099 432138533 /nfs/dbraw/zinc/13/85/33/432138533.db2.gz AXBXOXNASBYIFO-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000268815104 432140151 /nfs/dbraw/zinc/14/01/51/432140151.db2.gz NJHBBXDMVVCXBA-NSHDSACASA-N 2 1 313.323 3.441 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268816017 432141291 /nfs/dbraw/zinc/14/12/91/432141291.db2.gz GGSKVBZMQXAQHR-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C12CCCC2 ZINC000181693295 432141412 /nfs/dbraw/zinc/14/14/12/432141412.db2.gz UIRVVRUYKBOOMM-DJIMGWMZSA-N 2 1 305.466 3.155 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822695 432142250 /nfs/dbraw/zinc/14/22/50/432142250.db2.gz SMRRHFRZMAYCOX-UTKZUKDTSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000268822695 432142259 /nfs/dbraw/zinc/14/22/59/432142259.db2.gz SMRRHFRZMAYCOX-UTKZUKDTSA-N 2 1 324.468 3.435 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCCC2 ZINC000181809152 432144923 /nfs/dbraw/zinc/14/49/23/432144923.db2.gz AUOXIEUTLMMNOC-SJORKVTESA-N 2 1 305.466 3.299 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268910939 432147496 /nfs/dbraw/zinc/14/74/96/432147496.db2.gz RASHGUCOSCYICT-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268910939 432147500 /nfs/dbraw/zinc/14/75/00/432147500.db2.gz RASHGUCOSCYICT-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000040592037 183106767 /nfs/dbraw/zinc/10/67/67/183106767.db2.gz NVCBLPAOBLLANP-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000040592037 183106770 /nfs/dbraw/zinc/10/67/70/183106770.db2.gz NVCBLPAOBLLANP-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000284509853 218057799 /nfs/dbraw/zinc/05/77/99/218057799.db2.gz VNUMCISRVMZFMZ-MJGOQNOKSA-N 2 1 302.462 3.182 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163790 194189467 /nfs/dbraw/zinc/18/94/67/194189467.db2.gz ZRGFTFYXHGHAGU-SJLPKXTDSA-N 2 1 319.493 3.270 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC34CCC4)CCCC2)CC1 ZINC000337504711 284773649 /nfs/dbraw/zinc/77/36/49/284773649.db2.gz DRPUTMDFEGFOIQ-QGZVFWFLSA-N 2 1 306.494 3.332 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268836410 207001582 /nfs/dbraw/zinc/00/15/82/207001582.db2.gz LYTWTASXEHIVDI-NZSAHSFTSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268836410 207001586 /nfs/dbraw/zinc/00/15/86/207001586.db2.gz LYTWTASXEHIVDI-NZSAHSFTSA-N 2 1 304.478 3.036 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268843583 207010546 /nfs/dbraw/zinc/01/05/46/207010546.db2.gz AWHOXATVYDTIAX-KSSFIOAISA-N 2 1 301.434 3.382 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268885373 207055634 /nfs/dbraw/zinc/05/56/34/207055634.db2.gz NTWOABFPUHEPNS-UTKZUKDTSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000268885373 207055638 /nfs/dbraw/zinc/05/56/38/207055638.db2.gz NTWOABFPUHEPNS-UTKZUKDTSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268891689 207062391 /nfs/dbraw/zinc/06/23/91/207062391.db2.gz DDEZIUIBDMBFCQ-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1Cc1ccccc1 ZINC000268891689 207062393 /nfs/dbraw/zinc/06/23/93/207062393.db2.gz DDEZIUIBDMBFCQ-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268898943 207066236 /nfs/dbraw/zinc/06/62/36/207066236.db2.gz PUVYEPTZODZLIJ-WDSOQIARSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268993900 207152251 /nfs/dbraw/zinc/15/22/51/207152251.db2.gz SAFIRVRDDWDKKJ-NSHGMRRFSA-N 2 1 318.505 3.285 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000286019624 218750573 /nfs/dbraw/zinc/75/05/73/218750573.db2.gz JQBJOPZBQASUSN-NWDGAFQWSA-N 2 1 321.446 3.027 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000269040440 207190005 /nfs/dbraw/zinc/19/00/05/207190005.db2.gz GKPMFJQSTACVQH-AVYPCKFXSA-N 2 1 324.472 3.314 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000269042764 207191261 /nfs/dbraw/zinc/19/12/61/207191261.db2.gz XNLXYXXQCFEXSI-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000269042764 207191262 /nfs/dbraw/zinc/19/12/62/207191262.db2.gz XNLXYXXQCFEXSI-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]([NH3+])CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000430827785 532952758 /nfs/dbraw/zinc/95/27/58/532952758.db2.gz OXAHSRJLRIEGFT-CQSZACIVSA-N 2 1 303.450 3.127 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000248634171 285012811 /nfs/dbraw/zinc/01/28/11/285012811.db2.gz JKDQXJRWICXUDE-JTWUUNPKSA-N 2 1 316.489 3.433 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000248154222 207671172 /nfs/dbraw/zinc/67/11/72/207671172.db2.gz RESCCIOZWHXAAE-AZUAARDMSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248726171 285020460 /nfs/dbraw/zinc/02/04/60/285020460.db2.gz ISMOSTQXCAQXJT-ZSYWTGECSA-N 2 1 320.521 3.436 20 0 DGADMP CCSCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248855493 285032578 /nfs/dbraw/zinc/03/25/78/285032578.db2.gz CZDUAKLIALVPBA-VQFNDLOPSA-N 2 1 306.519 3.486 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000248985675 285043540 /nfs/dbraw/zinc/04/35/40/285043540.db2.gz FAIZKKQDCVOQEO-RTBURBONSA-N 2 1 316.489 3.224 20 0 DGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000249115216 285056801 /nfs/dbraw/zinc/05/68/01/285056801.db2.gz SEDOBEYJYKPWPO-IRXDYDNUSA-N 2 1 310.507 3.416 20 0 DGADMP COC1CC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309982332 533031845 /nfs/dbraw/zinc/03/18/45/533031845.db2.gz VUIXMZRBFVPKHS-VIQWUECVSA-N 2 1 302.462 3.056 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)ccc1OC(C)C ZINC000336855321 253009132 /nfs/dbraw/zinc/00/91/32/253009132.db2.gz WFKGTXVDGJYXFX-ZBFHGGJFSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000336855321 253009133 /nfs/dbraw/zinc/00/91/33/253009133.db2.gz WFKGTXVDGJYXFX-ZBFHGGJFSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000336855321 253009134 /nfs/dbraw/zinc/00/91/34/253009134.db2.gz WFKGTXVDGJYXFX-ZBFHGGJFSA-N 2 1 306.450 3.055 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000336858296 253010059 /nfs/dbraw/zinc/01/00/59/253010059.db2.gz YBLAXNOOGAOWEN-UHFFFAOYSA-N 2 1 305.466 3.395 20 0 DGADMP COc1cccc(CCC[N@H+]2C[C@H](N)[C@@H](c3ccccc3)C2)c1 ZINC000337040806 253039433 /nfs/dbraw/zinc/03/94/33/253039433.db2.gz AZORGYXUIRHFQK-UXHICEINSA-N 2 1 310.441 3.055 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000337375642 253100634 /nfs/dbraw/zinc/10/06/34/253100634.db2.gz AHGCFLIRCQBIHD-UXLLHSPISA-N 2 1 306.498 3.137 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000337376664 253100800 /nfs/dbraw/zinc/10/08/00/253100800.db2.gz GYCUNPDXMCONHW-ZMSDIMECSA-N 2 1 320.477 3.016 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000337376664 253100802 /nfs/dbraw/zinc/10/08/02/253100802.db2.gz GYCUNPDXMCONHW-ZMSDIMECSA-N 2 1 320.477 3.016 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000337376662 253101124 /nfs/dbraw/zinc/10/11/24/253101124.db2.gz GYCUNPDXMCONHW-UXLLHSPISA-N 2 1 320.477 3.016 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000337376662 253101126 /nfs/dbraw/zinc/10/11/26/253101126.db2.gz GYCUNPDXMCONHW-UXLLHSPISA-N 2 1 320.477 3.016 20 0 DGADMP OC[C@H](CC1CCCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000338016591 253210934 /nfs/dbraw/zinc/21/09/34/253210934.db2.gz CYKRWXCHSAFTGV-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc(C[C@H]([NH2+]CCC[NH+]2CCCCC2)c2cccnc2)nc1 ZINC000338195153 253240464 /nfs/dbraw/zinc/24/04/64/253240464.db2.gz KYOWFILCWXJOCI-FQEVSTJZSA-N 2 1 324.472 3.226 20 0 DGADMP COCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159276683 197342055 /nfs/dbraw/zinc/34/20/55/197342055.db2.gz SLYLBGKPMVIPBF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159276683 197342057 /nfs/dbraw/zinc/34/20/57/197342057.db2.gz SLYLBGKPMVIPBF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159276683 197342059 /nfs/dbraw/zinc/34/20/59/197342059.db2.gz SLYLBGKPMVIPBF-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000338544636 253307123 /nfs/dbraw/zinc/30/71/23/253307123.db2.gz CVIFOYOHCSKVOT-MJGOQNOKSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544636 253307126 /nfs/dbraw/zinc/30/71/26/253307126.db2.gz CVIFOYOHCSKVOT-MJGOQNOKSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000338544636 253307129 /nfs/dbraw/zinc/30/71/29/253307129.db2.gz CVIFOYOHCSKVOT-MJGOQNOKSA-N 2 1 302.462 3.038 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000158877807 197308082 /nfs/dbraw/zinc/30/80/82/197308082.db2.gz NZXHQUCTUYZEKN-MAUKXSAKSA-N 2 1 317.477 3.245 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158743541 197297782 /nfs/dbraw/zinc/29/77/82/197297782.db2.gz AHNJBQMXZAOIIB-MJGOQNOKSA-N 2 1 302.462 3.044 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158743541 197297784 /nfs/dbraw/zinc/29/77/84/197297784.db2.gz AHNJBQMXZAOIIB-MJGOQNOKSA-N 2 1 302.462 3.044 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158743541 197297786 /nfs/dbraw/zinc/29/77/86/197297786.db2.gz AHNJBQMXZAOIIB-MJGOQNOKSA-N 2 1 302.462 3.044 20 0 DGADMP CC(C)COCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340178914 253573687 /nfs/dbraw/zinc/57/36/87/253573687.db2.gz DRUYFPJQOKIMMC-OALUTQOASA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)COCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340178914 253573690 /nfs/dbraw/zinc/57/36/90/253573690.db2.gz DRUYFPJQOKIMMC-OALUTQOASA-N 2 1 304.478 3.474 20 0 DGADMP COC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000288735644 220380141 /nfs/dbraw/zinc/38/01/41/220380141.db2.gz GXTQCSKVVLRHKH-DYVFJYSZSA-N 2 1 321.852 3.458 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772924 296386692 /nfs/dbraw/zinc/38/66/92/296386692.db2.gz ZHRBOYPDIZSOKC-XMTFNYHQSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772924 296386693 /nfs/dbraw/zinc/38/66/93/296386693.db2.gz ZHRBOYPDIZSOKC-XMTFNYHQSA-N 2 1 307.526 3.007 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC3(C)C)CC2)oc1C ZINC000342689826 254033268 /nfs/dbraw/zinc/03/32/68/254033268.db2.gz OYMBCZBCXKEGTP-INIZCTEOSA-N 2 1 305.466 3.282 20 0 DGADMP CC[C@H](C)[N@H+](CCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC000342873394 254069621 /nfs/dbraw/zinc/06/96/21/254069621.db2.gz LZKLPWGDGVJAMO-AWEZNQCLSA-N 2 1 309.454 3.024 20 0 DGADMP CC[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC000342873394 254069623 /nfs/dbraw/zinc/06/96/23/254069623.db2.gz LZKLPWGDGVJAMO-AWEZNQCLSA-N 2 1 309.454 3.024 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCCn2ccnc2C)cc1 ZINC000342876696 254069735 /nfs/dbraw/zinc/06/97/35/254069735.db2.gz SYLNRLLWRUDRSI-INIZCTEOSA-N 2 1 315.461 3.401 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000342876696 254069736 /nfs/dbraw/zinc/06/97/36/254069736.db2.gz SYLNRLLWRUDRSI-INIZCTEOSA-N 2 1 315.461 3.401 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000342876696 254069737 /nfs/dbraw/zinc/06/97/37/254069737.db2.gz SYLNRLLWRUDRSI-INIZCTEOSA-N 2 1 315.461 3.401 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777673 254047613 /nfs/dbraw/zinc/04/76/13/254047613.db2.gz IARKFGDKRSLGGW-GOEBONIOSA-N 2 1 304.482 3.079 20 0 DGADMP CN(CCCCC[N@H+](C)Cc1cscn1)Cc1cscn1 ZINC000157641455 197203882 /nfs/dbraw/zinc/20/38/82/197203882.db2.gz JLUDYNUVCUVSHZ-UHFFFAOYSA-N 2 1 324.519 3.334 20 0 DGADMP CN(CCCCC[N@@H+](C)Cc1cscn1)Cc1cscn1 ZINC000157641455 197203883 /nfs/dbraw/zinc/20/38/83/197203883.db2.gz JLUDYNUVCUVSHZ-UHFFFAOYSA-N 2 1 324.519 3.334 20 0 DGADMP CC(C)OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342867736 254068497 /nfs/dbraw/zinc/06/84/97/254068497.db2.gz FZERSTUCOOLCSR-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@H](C)c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000175117718 533122384 /nfs/dbraw/zinc/12/23/84/533122384.db2.gz CDJKGFIADDCXFT-CYBMUJFWSA-N 2 1 311.495 3.014 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000343491740 254151601 /nfs/dbraw/zinc/15/16/01/254151601.db2.gz BQZHFIRFWVOAIL-CQSZACIVSA-N 2 1 308.491 3.170 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)c1 ZINC000343707089 254179947 /nfs/dbraw/zinc/17/99/47/254179947.db2.gz CYYNINGBWKWNHV-FUHWJXTLSA-N 2 1 305.466 3.080 20 0 DGADMP COc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157255936 197174733 /nfs/dbraw/zinc/17/47/33/197174733.db2.gz HUFXEENTKRUTJW-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157255936 197174735 /nfs/dbraw/zinc/17/47/35/197174735.db2.gz HUFXEENTKRUTJW-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000344134772 254229746 /nfs/dbraw/zinc/22/97/46/254229746.db2.gz ZLRSRNOEBVOCJB-AWEZNQCLSA-N 2 1 308.429 3.474 20 0 DGADMP CCOC(=O)CCCCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587122 254285446 /nfs/dbraw/zinc/28/54/46/254285446.db2.gz RXWFXHABWUEXQV-KSZLIROESA-N 2 1 324.509 3.447 20 0 DGADMP CCCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000344761225 254303255 /nfs/dbraw/zinc/30/32/55/254303255.db2.gz CFOUZLUGAQSILI-QZTJIDSGSA-N 2 1 306.498 3.283 20 0 DGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000261821283 285193312 /nfs/dbraw/zinc/19/33/12/285193312.db2.gz IKCWSJSXZUJORP-INIZCTEOSA-N 2 1 317.477 3.115 20 0 DGADMP C[N@H+](CCN)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000345533733 254372776 /nfs/dbraw/zinc/37/27/76/254372776.db2.gz CAVOLFXMVZLYMM-UHFFFAOYSA-N 2 1 305.397 3.084 20 0 DGADMP C[N@@H+](CCN)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000345533733 254372778 /nfs/dbraw/zinc/37/27/78/254372778.db2.gz CAVOLFXMVZLYMM-UHFFFAOYSA-N 2 1 305.397 3.084 20 0 DGADMP C[N@H+](CC[NH3+])CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000345533733 254372780 /nfs/dbraw/zinc/37/27/80/254372780.db2.gz CAVOLFXMVZLYMM-UHFFFAOYSA-N 2 1 305.397 3.084 20 0 DGADMP C[N@@H+](CC[NH3+])CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000345533733 254372781 /nfs/dbraw/zinc/37/27/81/254372781.db2.gz CAVOLFXMVZLYMM-UHFFFAOYSA-N 2 1 305.397 3.084 20 0 DGADMP O[C@@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000345728338 254392028 /nfs/dbraw/zinc/39/20/28/254392028.db2.gz WKZTUAKFDYXCFR-ZWKOTPCHSA-N 2 1 322.880 3.228 20 0 DGADMP CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195797 197094215 /nfs/dbraw/zinc/09/42/15/197094215.db2.gz LIVZUQJHWJAAQB-LPHOPBHVSA-N 2 1 314.477 3.371 20 0 DGADMP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195797 197094217 /nfs/dbraw/zinc/09/42/17/197094217.db2.gz LIVZUQJHWJAAQB-LPHOPBHVSA-N 2 1 314.477 3.371 20 0 DGADMP OC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000274021475 285241634 /nfs/dbraw/zinc/24/16/34/285241634.db2.gz PLGQONWYSFOBAO-FUFFSDJGSA-N 2 1 314.473 3.033 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294805376 224233715 /nfs/dbraw/zinc/23/37/15/224233715.db2.gz PSPGODKDLZFZHW-QWHCGFSZSA-N 2 1 307.388 3.499 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000313690699 285304167 /nfs/dbraw/zinc/30/41/67/285304167.db2.gz KZNYLPBNENQIJH-IUODEOHRSA-N 2 1 311.267 3.187 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000313690700 285304485 /nfs/dbraw/zinc/30/44/85/285304485.db2.gz KZNYLPBNENQIJH-SWLSCSKDSA-N 2 1 311.267 3.187 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000349403005 285344031 /nfs/dbraw/zinc/34/40/31/285344031.db2.gz AXEDFIQOEVAPTC-UHFFFAOYSA-N 2 1 314.477 3.251 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000349403005 285344034 /nfs/dbraw/zinc/34/40/34/285344034.db2.gz AXEDFIQOEVAPTC-UHFFFAOYSA-N 2 1 314.477 3.251 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC(C)C ZINC000352535239 285353801 /nfs/dbraw/zinc/35/38/01/285353801.db2.gz OBGFWVLXPAKVMF-MRXNPFEDSA-N 2 1 306.450 3.186 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCCO2 ZINC000294711928 533341013 /nfs/dbraw/zinc/34/10/13/533341013.db2.gz BWLMUJRTJPANOA-HZTRTUMWSA-N 2 1 316.445 3.124 20 0 DGADMP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789998 533467897 /nfs/dbraw/zinc/46/78/97/533467897.db2.gz OKSKAWNUWNREOZ-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789998 533467900 /nfs/dbraw/zinc/46/79/00/533467900.db2.gz OKSKAWNUWNREOZ-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294998294 533505433 /nfs/dbraw/zinc/50/54/33/533505433.db2.gz LBXLRQLGYFXBIV-CCNLRDMRSA-N 2 1 302.462 3.231 20 0 DGADMP C[C@@H](CCCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000295843685 533560390 /nfs/dbraw/zinc/56/03/90/533560390.db2.gz AREUYYWFKKWWMN-KKXNLOMOSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000356861504 285526583 /nfs/dbraw/zinc/52/65/83/285526583.db2.gz ZLXGLEHKGFNMOT-HKUYNNGSSA-N 2 1 316.489 3.098 20 0 DGADMP c1ccc(OCCCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000357605137 285801357 /nfs/dbraw/zinc/80/13/57/285801357.db2.gz VGIBDXMEXAWGKK-UHFFFAOYSA-N 2 1 302.462 3.406 20 0 DGADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000595081593 400101471 /nfs/dbraw/zinc/10/14/71/400101471.db2.gz SMRNJPGVZQUTOZ-OFLPRAFFSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000595081593 400101477 /nfs/dbraw/zinc/10/14/77/400101477.db2.gz SMRNJPGVZQUTOZ-OFLPRAFFSA-N 2 1 322.493 3.105 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092564408 400182669 /nfs/dbraw/zinc/18/26/69/400182669.db2.gz ASVMYDSJDAROAW-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@H]1C[NH+](CC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@H](C)O1 ZINC000091478527 400122924 /nfs/dbraw/zinc/12/29/24/400122924.db2.gz IHQLZPDTPCDPJI-KBPBESRZSA-N 2 1 323.868 3.061 20 0 DGADMP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCn1cc[nH+]c1C ZINC000091688692 400132286 /nfs/dbraw/zinc/13/22/86/400132286.db2.gz NLQVLKHCVAFFDS-INIZCTEOSA-N 2 1 322.840 3.077 20 0 DGADMP CS[C@@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092064008 400152243 /nfs/dbraw/zinc/15/22/43/400152243.db2.gz GWGQTMKURVPCMR-GOSISDBHSA-N 2 1 322.518 3.345 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)C2CC[NH+](C(C)C)CC2)c1C ZINC000067228649 400153980 /nfs/dbraw/zinc/15/39/80/400153980.db2.gz NKIDARNWDMRNJR-UHFFFAOYSA-N 2 1 305.466 3.012 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(F)cn3)CC2)[nH+]c1 ZINC000092752371 400201464 /nfs/dbraw/zinc/20/14/64/400201464.db2.gz FQJHDOGWRUZFAG-CQSZACIVSA-N 2 1 314.408 3.244 20 0 DGADMP CC[C@@H](CSC)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000589206591 400276831 /nfs/dbraw/zinc/27/68/31/400276831.db2.gz UQHUUKNKLWZIPH-INIZCTEOSA-N 2 1 310.507 3.200 20 0 DGADMP CCCCCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401797592 400291579 /nfs/dbraw/zinc/29/15/79/400291579.db2.gz ZPVZFSZJZVZXHL-UHFFFAOYSA-N 2 1 301.434 3.321 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCSC2CCCCC2)CCO1 ZINC000595906364 400291811 /nfs/dbraw/zinc/29/18/11/400291811.db2.gz KHNZFXZBYWPOAT-INIZCTEOSA-N 2 1 314.539 3.095 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC000589639129 400312807 /nfs/dbraw/zinc/31/28/07/400312807.db2.gz PMPXDVBOAYRCGY-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC000589639129 400312811 /nfs/dbraw/zinc/31/28/11/400312811.db2.gz PMPXDVBOAYRCGY-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000589641430 400314646 /nfs/dbraw/zinc/31/46/46/400314646.db2.gz KTGNLIWRHDEWHS-GASCZTMLSA-N 2 1 300.450 3.021 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000589641430 400314647 /nfs/dbraw/zinc/31/46/47/400314647.db2.gz KTGNLIWRHDEWHS-GASCZTMLSA-N 2 1 300.450 3.021 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000589641430 400314648 /nfs/dbraw/zinc/31/46/48/400314648.db2.gz KTGNLIWRHDEWHS-GASCZTMLSA-N 2 1 300.450 3.021 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641161 400314754 /nfs/dbraw/zinc/31/47/54/400314754.db2.gz HIHZBECAPJIVCW-HNNXBMFYSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641161 400314755 /nfs/dbraw/zinc/31/47/55/400314755.db2.gz HIHZBECAPJIVCW-HNNXBMFYSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641161 400314756 /nfs/dbraw/zinc/31/47/56/400314756.db2.gz HIHZBECAPJIVCW-HNNXBMFYSA-N 2 1 300.450 3.165 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000034533345 400385545 /nfs/dbraw/zinc/38/55/45/400385545.db2.gz FCKUAKUUHQXUQO-SFHVURJKSA-N 2 1 324.468 3.463 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000040620715 400401326 /nfs/dbraw/zinc/40/13/26/400401326.db2.gz JUDFENCPZBJZRZ-AWEZNQCLSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000611439306 400402095 /nfs/dbraw/zinc/40/20/95/400402095.db2.gz SXPAUXLMDDOANY-YOEHRIQHSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000611439306 400402097 /nfs/dbraw/zinc/40/20/97/400402097.db2.gz SXPAUXLMDDOANY-YOEHRIQHSA-N 2 1 318.461 3.214 20 0 DGADMP CCSCC[C@@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000597025744 400542200 /nfs/dbraw/zinc/54/22/00/400542200.db2.gz CILFCLKYJIMFHN-CQSZACIVSA-N 2 1 304.463 3.231 20 0 DGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000597043076 400545045 /nfs/dbraw/zinc/54/50/45/400545045.db2.gz KNECOLFHNSBCKX-UHFFFAOYSA-N 2 1 324.852 3.089 20 0 DGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](n4ccnc4)C3)cnc21 ZINC000591869424 400568577 /nfs/dbraw/zinc/56/85/77/400568577.db2.gz VMKOLPQOAAIFOG-KRWDZBQOSA-N 2 1 324.432 3.046 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603516914 400696481 /nfs/dbraw/zinc/69/64/81/400696481.db2.gz FUCOHJAONBAJHR-LJQANCHMSA-N 2 1 302.462 3.036 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(c2ccc3cc(OC)ccc3n2)C1 ZINC000172788174 400838801 /nfs/dbraw/zinc/83/88/01/400838801.db2.gz UNBBPIKZWRXTBN-OAHLLOKOSA-N 2 1 313.445 3.412 20 0 DGADMP Clc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000629513484 400952349 /nfs/dbraw/zinc/95/23/49/400952349.db2.gz GYSUHWUXXBKDJA-KJGCVMFHSA-N 2 1 320.864 3.181 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468949 400917583 /nfs/dbraw/zinc/91/75/83/400917583.db2.gz PFOBGZYLGYRHTB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468949 400917589 /nfs/dbraw/zinc/91/75/89/400917589.db2.gz PFOBGZYLGYRHTB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606468949 400917596 /nfs/dbraw/zinc/91/75/96/400917596.db2.gz PFOBGZYLGYRHTB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606468949 400917603 /nfs/dbraw/zinc/91/76/03/400917603.db2.gz PFOBGZYLGYRHTB-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC(CC)[C@H](C[NH2+]C1CCC(CC(=O)OC)CC1)[NH+](C)C ZINC000599019414 400928582 /nfs/dbraw/zinc/92/85/82/400928582.db2.gz JVEBNUMEMWUQGL-PREGVCBESA-N 2 1 312.498 3.064 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000629559638 400974879 /nfs/dbraw/zinc/97/48/79/400974879.db2.gz BKSRJYSJZUVUJU-UWVGGRQHSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000629559638 400974888 /nfs/dbraw/zinc/97/48/88/400974888.db2.gz BKSRJYSJZUVUJU-UWVGGRQHSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1C(F)(F)F ZINC000629562525 400977167 /nfs/dbraw/zinc/97/71/67/400977167.db2.gz NUIRTQLRIAFPHZ-GXTWGEPZSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@H]1C(F)(F)F ZINC000629562525 400977169 /nfs/dbraw/zinc/97/71/69/400977169.db2.gz NUIRTQLRIAFPHZ-GXTWGEPZSA-N 2 1 312.335 3.392 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)s1 ZINC000629561529 400977227 /nfs/dbraw/zinc/97/72/27/400977227.db2.gz IKXSULGCTZFQGN-CHWSQXEVSA-N 2 1 306.397 3.324 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)s1 ZINC000629561529 400977231 /nfs/dbraw/zinc/97/72/31/400977231.db2.gz IKXSULGCTZFQGN-CHWSQXEVSA-N 2 1 306.397 3.324 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563828 400977344 /nfs/dbraw/zinc/97/73/44/400977344.db2.gz GDNREKPZOHPLAT-GJZGRUSLSA-N 2 1 300.368 3.263 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1C(F)(F)F ZINC000629562817 400977372 /nfs/dbraw/zinc/97/73/72/400977372.db2.gz NUIRTQLRIAFPHZ-TZMCWYRMSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@H]1C(F)(F)F ZINC000629562817 400977376 /nfs/dbraw/zinc/97/73/76/400977376.db2.gz NUIRTQLRIAFPHZ-TZMCWYRMSA-N 2 1 312.335 3.392 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565207 400979324 /nfs/dbraw/zinc/97/93/24/400979324.db2.gz KAUORTOPXHTLAZ-CABCVRRESA-N 2 1 300.368 3.263 20 0 DGADMP CCOCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629575740 400980548 /nfs/dbraw/zinc/98/05/48/400980548.db2.gz QIRJRMPPLUIDAX-APWZRJJASA-N 2 1 302.462 3.012 20 0 DGADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnn(CC[NH+](C)C)c2)c1 ZINC000629702145 401048508 /nfs/dbraw/zinc/04/85/08/401048508.db2.gz IPCZASHDANLUQH-INIZCTEOSA-N 2 1 312.461 3.096 20 0 DGADMP C[NH+](C)Cc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000629707475 401051945 /nfs/dbraw/zinc/05/19/45/401051945.db2.gz UHFGDIGGSXFYEN-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP [NH3+]C/C=C/c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629732746 401062417 /nfs/dbraw/zinc/06/24/17/401062417.db2.gz FTALFLMCUAEIHE-OWOJBTEDSA-N 2 1 308.425 3.158 20 0 DGADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc([C@H]2CC[NH2+]C2)c1 ZINC000629733607 401064619 /nfs/dbraw/zinc/06/46/19/401064619.db2.gz ZYMPORSHTBDRAS-NRFANRHFSA-N 2 1 322.452 3.263 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586913 401085397 /nfs/dbraw/zinc/08/53/97/401085397.db2.gz BHZNGTVGCUIDME-IAGOWNOFSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586913 401085403 /nfs/dbraw/zinc/08/54/03/401085403.db2.gz BHZNGTVGCUIDME-IAGOWNOFSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586410 401085710 /nfs/dbraw/zinc/08/57/10/401085710.db2.gz HXWZIPYSVPLRNT-ZACQAIPSSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586410 401085716 /nfs/dbraw/zinc/08/57/16/401085716.db2.gz HXWZIPYSVPLRNT-ZACQAIPSSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586410 401085722 /nfs/dbraw/zinc/08/57/22/401085722.db2.gz HXWZIPYSVPLRNT-ZACQAIPSSA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CCC(c2c[nH]cn2)CC1 ZINC000599340160 401026365 /nfs/dbraw/zinc/02/63/65/401026365.db2.gz BVBLYYUBWTWLJK-MRXNPFEDSA-N 2 1 321.465 3.346 20 0 DGADMP Cc1ccccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368548 401111059 /nfs/dbraw/zinc/11/10/59/401111059.db2.gz QUUZPSZURVDACB-HDICACEKSA-N 2 1 316.489 3.316 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC)c(OC)c2)CC1 ZINC000061016351 401143827 /nfs/dbraw/zinc/14/38/27/401143827.db2.gz LZYYWUKNHHWHGU-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c(C)n1 ZINC000358251078 286011081 /nfs/dbraw/zinc/01/10/81/286011081.db2.gz QKIKFRIZXDJILX-YJBOKZPZSA-N 2 1 306.498 3.202 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c(C)n1 ZINC000358251078 286011083 /nfs/dbraw/zinc/01/10/83/286011083.db2.gz QKIKFRIZXDJILX-YJBOKZPZSA-N 2 1 306.498 3.202 20 0 DGADMP CCOc1cncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000621343422 401175180 /nfs/dbraw/zinc/17/51/80/401175180.db2.gz GBBZSOGNOLBEOJ-WBVHZDCISA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000621343422 401175184 /nfs/dbraw/zinc/17/51/84/401175184.db2.gz GBBZSOGNOLBEOJ-WBVHZDCISA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234758 401264444 /nfs/dbraw/zinc/26/44/44/401264444.db2.gz LQMJHIJWRLTSET-OCCSQVGLSA-N 2 1 316.367 3.058 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000090537059 401268783 /nfs/dbraw/zinc/26/87/83/401268783.db2.gz CGYSSUXPUMYOHK-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000090537059 401268786 /nfs/dbraw/zinc/26/87/86/401268786.db2.gz CGYSSUXPUMYOHK-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]([NH2+]Cc1ncccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000090721093 401272675 /nfs/dbraw/zinc/27/26/75/401272675.db2.gz YSPVVKCODXLEDC-AWEZNQCLSA-N 2 1 317.408 3.012 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000621719383 401284324 /nfs/dbraw/zinc/28/43/24/401284324.db2.gz LCMDVDGRNPAMJC-FHLIZLRMSA-N 2 1 322.518 3.384 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nccnc2C)CC1)CC(C)C ZINC000621728018 401286756 /nfs/dbraw/zinc/28/67/56/401286756.db2.gz ZOWFPIUKQTXDOQ-UHFFFAOYSA-N 2 1 318.509 3.365 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000090172828 401261782 /nfs/dbraw/zinc/26/17/82/401261782.db2.gz ARMSCRYQUWNUTK-BRWVUGGUSA-N 2 1 308.853 3.244 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000090172828 401261786 /nfs/dbraw/zinc/26/17/86/401261786.db2.gz ARMSCRYQUWNUTK-BRWVUGGUSA-N 2 1 308.853 3.244 20 0 DGADMP c1cnc2cccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2c1 ZINC000634688459 401335725 /nfs/dbraw/zinc/33/57/25/401335725.db2.gz TVEXGAJAPJBRIO-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP Cc1scc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000631070612 401383957 /nfs/dbraw/zinc/38/39/57/401383957.db2.gz BOAMJSZNGKTRNY-KRWDZBQOSA-N 2 1 308.491 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635005645 401400389 /nfs/dbraw/zinc/40/03/89/401400389.db2.gz JRJMTFOCCNCFOZ-ZVZYQTTQSA-N 3 1 312.461 3.349 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635008363 401401841 /nfs/dbraw/zinc/40/18/41/401401841.db2.gz DDUYVVKRXFRIJI-UONOGXRCSA-N 2 1 306.450 3.133 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000635010351 401403006 /nfs/dbraw/zinc/40/30/06/401403006.db2.gz JWHCSYFZUHXGDO-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CN1Cc1ccccc1 ZINC000635010351 401403007 /nfs/dbraw/zinc/40/30/07/401403007.db2.gz JWHCSYFZUHXGDO-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)c2ccccc21 ZINC000635014101 401404630 /nfs/dbraw/zinc/40/46/30/401404630.db2.gz MZDPICGXGPZSRP-FSPWUOQZSA-N 2 1 316.832 3.150 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000631195556 401423124 /nfs/dbraw/zinc/42/31/24/401423124.db2.gz ZBSHSLOZCQXVLF-GSEOLPGOSA-N 2 1 316.489 3.302 20 0 DGADMP CCOCCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471862270 286056754 /nfs/dbraw/zinc/05/67/54/286056754.db2.gz QVMBSXXVLJIVBF-OALUTQOASA-N 2 1 304.478 3.085 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC000631570793 401501191 /nfs/dbraw/zinc/50/11/91/401501191.db2.gz ZDXBZEOOFFOGJC-GDBMZVCRSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000631578599 401504164 /nfs/dbraw/zinc/50/41/64/401504164.db2.gz XBTINYPEPRETGK-HNAYVOBHSA-N 2 1 302.462 3.393 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631601466 401511487 /nfs/dbraw/zinc/51/14/87/401511487.db2.gz SWOSXHLZKIPPBY-VQIMIIECSA-N 2 1 301.478 3.417 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623429673 401515941 /nfs/dbraw/zinc/51/59/41/401515941.db2.gz MDGJWQOLHOCYOI-UHFFFAOYSA-N 2 1 322.403 3.106 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631636598 401520737 /nfs/dbraw/zinc/52/07/37/401520737.db2.gz FPPPAGQBAMTKQY-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000631636966 401520954 /nfs/dbraw/zinc/52/09/54/401520954.db2.gz JBOOKZBIQALVIW-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(OC)c1OC ZINC000631652547 401524792 /nfs/dbraw/zinc/52/47/92/401524792.db2.gz RUAQABDOQJJILL-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631652547 401524793 /nfs/dbraw/zinc/52/47/93/401524793.db2.gz RUAQABDOQJJILL-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000631652225 401524811 /nfs/dbraw/zinc/52/48/11/401524811.db2.gz OWHNJJBSONFYRQ-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000631652225 401524813 /nfs/dbraw/zinc/52/48/13/401524813.db2.gz OWHNJJBSONFYRQ-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP COC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631664195 401528915 /nfs/dbraw/zinc/52/89/15/401528915.db2.gz MLJYSYKXBZKOTQ-YUKKFIBKSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ncncc1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666091 401529352 /nfs/dbraw/zinc/52/93/52/401529352.db2.gz ZVPRKTZWLAXVFD-BXWFABGCSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666091 401529354 /nfs/dbraw/zinc/52/93/54/401529354.db2.gz ZVPRKTZWLAXVFD-BXWFABGCSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666091 401529358 /nfs/dbraw/zinc/52/93/58/401529358.db2.gz ZVPRKTZWLAXVFD-BXWFABGCSA-N 2 1 324.472 3.204 20 0 DGADMP COC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631664192 401529374 /nfs/dbraw/zinc/52/93/74/401529374.db2.gz MLJYSYKXBZKOTQ-OVZGMEQFSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000631666977 401530114 /nfs/dbraw/zinc/53/01/14/401530114.db2.gz JKPCHBCTVTURGI-RHSMWYFYSA-N 2 1 301.434 3.382 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000631666979 401530214 /nfs/dbraw/zinc/53/02/14/401530214.db2.gz JKPCHBCTVTURGI-YOEHRIQHSA-N 2 1 301.434 3.382 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000623654506 401562497 /nfs/dbraw/zinc/56/24/97/401562497.db2.gz BDDAHFQZEUVZOU-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000623655899 401562621 /nfs/dbraw/zinc/56/26/21/401562621.db2.gz IEZQHLNTMXLFBD-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000623657067 401563250 /nfs/dbraw/zinc/56/32/50/401563250.db2.gz JCMJQCBNXANKPL-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000623657067 401563251 /nfs/dbraw/zinc/56/32/51/401563251.db2.gz JCMJQCBNXANKPL-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP Cc1cccc([C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C(C)C)c1 ZINC000623894165 401595560 /nfs/dbraw/zinc/59/55/60/401595560.db2.gz KWLRUOIBDTWWTI-GOSISDBHSA-N 2 1 304.478 3.393 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623529400 401540612 /nfs/dbraw/zinc/54/06/12/401540612.db2.gz GNSSCBLDGGEWDG-HZPDHXFCSA-N 2 1 319.468 3.114 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000631736359 401547229 /nfs/dbraw/zinc/54/72/29/401547229.db2.gz IBLACSGYROGZJB-SJLPKXTDSA-N 2 1 302.462 3.289 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1)CC1CC1 ZINC000628198818 401548500 /nfs/dbraw/zinc/54/85/00/401548500.db2.gz MKNXCUUBPRZUAK-UHFFFAOYSA-N 2 1 318.509 3.361 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1)CC1CC1 ZINC000628198818 401548501 /nfs/dbraw/zinc/54/85/01/401548501.db2.gz MKNXCUUBPRZUAK-UHFFFAOYSA-N 2 1 318.509 3.361 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628223621 401553636 /nfs/dbraw/zinc/55/36/36/401553636.db2.gz LQRUTXWUGGDYPJ-DOMZBBRYSA-N 2 1 300.368 3.320 20 0 DGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863902 401561973 /nfs/dbraw/zinc/56/19/73/401561973.db2.gz FNOMVYHBNKSJGP-OAHLLOKOSA-N 2 1 304.478 3.091 20 0 DGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863897 401562053 /nfs/dbraw/zinc/56/20/53/401562053.db2.gz FNOMVYHBNKSJGP-HNNXBMFYSA-N 2 1 304.478 3.091 20 0 DGADMP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000624108937 401627287 /nfs/dbraw/zinc/62/72/87/401627287.db2.gz JCJDUVDXICRWHN-IBGZPJMESA-N 2 1 304.478 3.038 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119952 401628288 /nfs/dbraw/zinc/62/82/88/401628288.db2.gz NEHWYFVHJHTIHT-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119952 401628291 /nfs/dbraw/zinc/62/82/91/401628291.db2.gz NEHWYFVHJHTIHT-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122020 401629415 /nfs/dbraw/zinc/62/94/15/401629415.db2.gz IDDAHVPFYDBNLB-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122020 401629416 /nfs/dbraw/zinc/62/94/16/401629416.db2.gz IDDAHVPFYDBNLB-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP Cc1cccc(C)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000358519014 286082851 /nfs/dbraw/zinc/08/28/51/286082851.db2.gz SEDNVEDSXORLMV-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1cccc(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000358519014 286082852 /nfs/dbraw/zinc/08/28/52/286082852.db2.gz SEDNVEDSXORLMV-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP O[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358678672 286122152 /nfs/dbraw/zinc/12/21/52/286122152.db2.gz MLJKSQSKFCXNAI-WOJBJXKFSA-N 2 1 314.473 3.031 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358715217 286131243 /nfs/dbraw/zinc/13/12/43/286131243.db2.gz NKZDSXWRZXYCCD-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358715217 286131244 /nfs/dbraw/zinc/13/12/44/286131244.db2.gz NKZDSXWRZXYCCD-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000358751452 286141907 /nfs/dbraw/zinc/14/19/07/286141907.db2.gz IUKPFYFWSAQNBV-SFHVURJKSA-N 2 1 312.461 3.039 20 0 DGADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358817406 286160824 /nfs/dbraw/zinc/16/08/24/286160824.db2.gz BZCJASZVHMEZDD-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000358835811 286165296 /nfs/dbraw/zinc/16/52/96/286165296.db2.gz VKSCZEUJPGPAFK-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000358835811 286165299 /nfs/dbraw/zinc/16/52/99/286165299.db2.gz VKSCZEUJPGPAFK-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000359117812 286240987 /nfs/dbraw/zinc/24/09/87/286240987.db2.gz SXIIQXNYKVXFHZ-LMCOJAPRSA-N 2 1 319.537 3.246 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1N1CCCC1 ZINC000359226212 286264456 /nfs/dbraw/zinc/26/44/56/286264456.db2.gz UKZBGQSZFWTRQD-UHFFFAOYSA-N 2 1 301.478 3.108 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000359597258 286344108 /nfs/dbraw/zinc/34/41/08/286344108.db2.gz KFEGCTONZXNFSS-OAHLLOKOSA-N 2 1 307.457 3.418 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCCO2 ZINC000359634565 286351193 /nfs/dbraw/zinc/35/11/93/286351193.db2.gz DKQZUUZDWQEOPF-KRWDZBQOSA-N 2 1 306.450 3.229 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCCO2 ZINC000359634565 286351195 /nfs/dbraw/zinc/35/11/95/286351195.db2.gz DKQZUUZDWQEOPF-KRWDZBQOSA-N 2 1 306.450 3.229 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@H]2C)cc1 ZINC000420295756 286372270 /nfs/dbraw/zinc/37/22/70/286372270.db2.gz CPXCDNDXJNQCKX-DNVCBOLYSA-N 2 1 310.441 3.184 20 0 DGADMP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000359924822 286389659 /nfs/dbraw/zinc/38/96/59/286389659.db2.gz JHTMOAJKWZXBDG-APWZRJJASA-N 2 1 304.478 3.433 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423490490 292367981 /nfs/dbraw/zinc/36/79/81/292367981.db2.gz YWIAHSSUPXDQAP-DZGCQCFKSA-N 2 1 310.388 3.043 20 0 DGADMP CSC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423287705 286681671 /nfs/dbraw/zinc/68/16/71/286681671.db2.gz NXJNIKRTYCQPSI-LBPRGKRZSA-N 2 1 306.397 3.436 20 0 DGADMP COC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364350837 287017017 /nfs/dbraw/zinc/01/70/17/287017017.db2.gz DPOCYLHTMWIUNB-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423260226 287054374 /nfs/dbraw/zinc/05/43/74/287054374.db2.gz GZIVFCUYJKUMDN-BEFAXECRSA-N 2 1 312.461 3.431 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C(C)(C)C ZINC000364955055 287079359 /nfs/dbraw/zinc/07/93/59/287079359.db2.gz PLHLRTWQIRJHHZ-NUEKZKHPSA-N 2 1 304.482 3.224 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C(C)(C)C ZINC000364955055 287079362 /nfs/dbraw/zinc/07/93/62/287079362.db2.gz PLHLRTWQIRJHHZ-NUEKZKHPSA-N 2 1 304.482 3.224 20 0 DGADMP C[C@@H]([NH2+]CCCOCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365013654 287087106 /nfs/dbraw/zinc/08/71/06/287087106.db2.gz GWJDZFFZHQNNEO-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)C3CCSCC3)CC2)[nH+]1 ZINC000187217504 165080587 /nfs/dbraw/zinc/08/05/87/165080587.db2.gz DNZFBELTNGBRPY-HNNXBMFYSA-N 2 1 319.518 3.480 20 0 DGADMP Cc1nccn1-c1ccc(CNCc2ccc(F)nc2)cc1F ZINC000189010553 165146411 /nfs/dbraw/zinc/14/64/11/165146411.db2.gz YIDJTUCHTFKLRY-UHFFFAOYSA-N 2 1 314.339 3.144 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000191834150 165271722 /nfs/dbraw/zinc/27/17/22/165271722.db2.gz IXKUZVANOMMHKW-LJQANCHMSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000191834150 165271726 /nfs/dbraw/zinc/27/17/26/165271726.db2.gz IXKUZVANOMMHKW-LJQANCHMSA-N 2 1 314.473 3.056 20 0 DGADMP CC(C)COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192842338 165307653 /nfs/dbraw/zinc/30/76/53/165307653.db2.gz AJEFVIIMBQLDHA-YQQQUEKLSA-N 2 1 316.489 3.479 20 0 DGADMP COc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000192961587 165312537 /nfs/dbraw/zinc/31/25/37/165312537.db2.gz IDWAGJMXYWHVFY-PBHICJAKSA-N 2 1 318.436 3.283 20 0 DGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261949465 287132332 /nfs/dbraw/zinc/13/23/32/287132332.db2.gz WCTUGTIBJHMWAS-QFBILLFUSA-N 2 1 315.505 3.025 20 0 DGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000181916744 432151150 /nfs/dbraw/zinc/15/11/50/432151150.db2.gz HONJWUIPPSHPLH-KRWDZBQOSA-N 2 1 324.509 3.306 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c(OC)c1 ZINC000246677404 432153287 /nfs/dbraw/zinc/15/32/87/432153287.db2.gz FXSFDKFBBKHONA-YJBOKZPZSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c(OC)c1 ZINC000246677404 432153289 /nfs/dbraw/zinc/15/32/89/432153289.db2.gz FXSFDKFBBKHONA-YJBOKZPZSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000246677404 432153291 /nfs/dbraw/zinc/15/32/91/432153291.db2.gz FXSFDKFBBKHONA-YJBOKZPZSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000246677404 432153296 /nfs/dbraw/zinc/15/32/96/432153296.db2.gz FXSFDKFBBKHONA-YJBOKZPZSA-N 2 1 318.461 3.325 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC[N@H+]1C ZINC000246844704 432172822 /nfs/dbraw/zinc/17/28/22/432172822.db2.gz CHUQCWGMSPZSEZ-OWYHZJEWSA-N 2 1 302.462 3.227 20 0 DGADMP COCC[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246868619 432174408 /nfs/dbraw/zinc/17/44/08/432174408.db2.gz CVJCHTWJSPHOLZ-NTDBWNAOSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000246955373 432185364 /nfs/dbraw/zinc/18/53/64/432185364.db2.gz HOKRMPOSBKCINA-QGPMSJSTSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000246971277 432187484 /nfs/dbraw/zinc/18/74/84/432187484.db2.gz JLIKDLXVXXPQLP-QKLQHJQFSA-N 2 1 316.489 3.023 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC[N@@H+]1C ZINC000246947603 432182668 /nfs/dbraw/zinc/18/26/68/432182668.db2.gz SISQIRRKMKXMEO-RWQQGDIJSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC[N@H+]1C ZINC000246947603 432182673 /nfs/dbraw/zinc/18/26/73/432182673.db2.gz SISQIRRKMKXMEO-RWQQGDIJSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000247055183 432198412 /nfs/dbraw/zinc/19/84/12/432198412.db2.gz PEISWXRPFUEFHD-QRVBRYPASA-N 2 1 309.542 3.064 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000190835617 432193199 /nfs/dbraw/zinc/19/31/99/432193199.db2.gz YHRLNPBEEQVNQF-UHFFFAOYSA-N 2 1 318.383 3.072 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000247028866 432193469 /nfs/dbraw/zinc/19/34/69/432193469.db2.gz VHKQVOHCLKORIV-IPMKNSEASA-N 2 1 316.489 3.302 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000247029092 432194104 /nfs/dbraw/zinc/19/41/04/432194104.db2.gz MCIABQVRTKAHLA-OXJNMPFZSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000247058687 432198098 /nfs/dbraw/zinc/19/80/98/432198098.db2.gz PKFLZQUXPFWFSL-UKBAYJJMSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H](CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000247093929 432202295 /nfs/dbraw/zinc/20/22/95/432202295.db2.gz OGOLPJBPXRRHQH-AJYBTWMASA-N 2 1 317.521 3.215 20 0 DGADMP C[C@@H](CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247093929 432202292 /nfs/dbraw/zinc/20/22/92/432202292.db2.gz OGOLPJBPXRRHQH-AJYBTWMASA-N 2 1 317.521 3.215 20 0 DGADMP C[C@@H](CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247093929 432202299 /nfs/dbraw/zinc/20/22/99/432202299.db2.gz OGOLPJBPXRRHQH-AJYBTWMASA-N 2 1 317.521 3.215 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247093929 432202302 /nfs/dbraw/zinc/20/23/02/432202302.db2.gz OGOLPJBPXRRHQH-AJYBTWMASA-N 3 1 317.521 3.215 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCCCC2 ZINC000247100605 432202604 /nfs/dbraw/zinc/20/26/04/432202604.db2.gz VDPSSYGXXBVDKB-BPQIPLTHSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247093929 432202306 /nfs/dbraw/zinc/20/23/06/432202306.db2.gz OGOLPJBPXRRHQH-AJYBTWMASA-N 3 1 317.521 3.215 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000247093929 432202309 /nfs/dbraw/zinc/20/23/09/432202309.db2.gz OGOLPJBPXRRHQH-AJYBTWMASA-N 3 1 317.521 3.215 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247093929 432202312 /nfs/dbraw/zinc/20/23/12/432202312.db2.gz OGOLPJBPXRRHQH-AJYBTWMASA-N 3 1 317.521 3.215 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000247123267 432203611 /nfs/dbraw/zinc/20/36/11/432203611.db2.gz RFUSMKBGRPXOBR-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCN(c2ccccc2)C1 ZINC000247110225 432203635 /nfs/dbraw/zinc/20/36/35/432203635.db2.gz LHWFVZLEKBNQMU-HKUYNNGSSA-N 2 1 301.478 3.072 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)Oc1cccc(F)c1 ZINC000247187456 432209373 /nfs/dbraw/zinc/20/93/73/432209373.db2.gz UEZGSQFWMDFEDK-KYJSFNMBSA-N 2 1 308.441 3.303 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000247192945 432211039 /nfs/dbraw/zinc/21/10/39/432211039.db2.gz VWFHTKFZYAEHKT-HDEZJCGLSA-N 2 1 318.461 3.227 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCC ZINC000151033943 432212342 /nfs/dbraw/zinc/21/23/42/432212342.db2.gz FFGWJRBOULBGHZ-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000247242325 432215768 /nfs/dbraw/zinc/21/57/68/432215768.db2.gz TUKTVSVDGAUESZ-KSSFIOAISA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000247242325 432215770 /nfs/dbraw/zinc/21/57/70/432215770.db2.gz TUKTVSVDGAUESZ-KSSFIOAISA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000247242325 432215773 /nfs/dbraw/zinc/21/57/73/432215773.db2.gz TUKTVSVDGAUESZ-KSSFIOAISA-N 2 1 313.445 3.103 20 0 DGADMP c1cc2c(nc[nH+]c2N2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000269756436 432205228 /nfs/dbraw/zinc/20/52/28/432205228.db2.gz CFSMAGSQZJLUSP-UHFFFAOYSA-N 2 1 313.449 3.050 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205810 /nfs/dbraw/zinc/20/58/10/432205810.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205812 /nfs/dbraw/zinc/20/58/12/432205812.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205815 /nfs/dbraw/zinc/20/58/15/432205815.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@H](NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205818 /nfs/dbraw/zinc/20/58/18/432205818.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205820 /nfs/dbraw/zinc/20/58/20/432205820.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205822 /nfs/dbraw/zinc/20/58/22/432205822.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205825 /nfs/dbraw/zinc/20/58/25/432205825.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205829 /nfs/dbraw/zinc/20/58/29/432205829.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247130869 432205832 /nfs/dbraw/zinc/20/58/32/432205832.db2.gz RSIGLCRHPODCII-PXNSSMCTSA-N 2 1 317.521 3.347 20 0 DGADMP CCC[N@H+]1CC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151096926 432217490 /nfs/dbraw/zinc/21/74/90/432217490.db2.gz BORZOTGWMRNPST-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151096926 432217492 /nfs/dbraw/zinc/21/74/92/432217492.db2.gz BORZOTGWMRNPST-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151096926 432217496 /nfs/dbraw/zinc/21/74/96/432217496.db2.gz BORZOTGWMRNPST-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP CCC[N@H+]1CC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151096870 432218362 /nfs/dbraw/zinc/21/83/62/432218362.db2.gz BORZOTGWMRNPST-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151096870 432218365 /nfs/dbraw/zinc/21/83/65/432218365.db2.gz BORZOTGWMRNPST-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151096870 432218370 /nfs/dbraw/zinc/21/83/70/432218370.db2.gz BORZOTGWMRNPST-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000151132530 432221114 /nfs/dbraw/zinc/22/11/14/432221114.db2.gz BTDZAJURDSVHIM-OAHLLOKOSA-N 2 1 309.417 3.118 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000151125821 432221691 /nfs/dbraw/zinc/22/16/91/432221691.db2.gz QSZDUTSEFZJZKI-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CCOc1ccc(C(C)=O)cc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000172584036 432221722 /nfs/dbraw/zinc/22/17/22/432221722.db2.gz ICMNUDBEXUAAGZ-INIZCTEOSA-N 2 1 318.461 3.062 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000269923407 432223060 /nfs/dbraw/zinc/22/30/60/432223060.db2.gz BIRUULLEVPFJSN-SMDDNHRTSA-N 2 1 316.367 3.247 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000269923407 432223066 /nfs/dbraw/zinc/22/30/66/432223066.db2.gz BIRUULLEVPFJSN-SMDDNHRTSA-N 2 1 316.367 3.247 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000269935032 432223637 /nfs/dbraw/zinc/22/36/37/432223637.db2.gz DZNWCSQTDVPNQL-IEBWSBKVSA-N 2 1 313.445 3.339 20 0 DGADMP CCCc1noc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)n1 ZINC000182739078 432224577 /nfs/dbraw/zinc/22/45/77/432224577.db2.gz YNYSEIVQRFYYPG-UHFFFAOYSA-N 2 1 322.497 3.356 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000133066533 196309001 /nfs/dbraw/zinc/30/90/01/196309001.db2.gz VKQDWHSSMOTONM-CQSZACIVSA-N 2 1 323.444 3.496 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422867860 287276029 /nfs/dbraw/zinc/27/60/29/287276029.db2.gz TYXPLAWRHJIFEB-NSISKUIASA-N 3 1 315.505 3.278 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000134028302 196354631 /nfs/dbraw/zinc/35/46/31/196354631.db2.gz JTHXVYDJDGZFPH-CABCVRRESA-N 2 1 309.417 3.117 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422881741 287347897 /nfs/dbraw/zinc/34/78/97/287347897.db2.gz OGWOAJKTHLHZJO-NCXUSEDFSA-N 3 1 307.526 3.009 20 0 DGADMP FC1(F)CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000295932530 225391393 /nfs/dbraw/zinc/39/13/93/225391393.db2.gz HIBACZNNSFKOEC-CALCHBBNSA-N 2 1 306.400 3.096 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000295932530 225391399 /nfs/dbraw/zinc/39/13/99/225391399.db2.gz HIBACZNNSFKOEC-CALCHBBNSA-N 2 1 306.400 3.096 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000295932530 225391404 /nfs/dbraw/zinc/39/14/04/225391404.db2.gz HIBACZNNSFKOEC-CALCHBBNSA-N 2 1 306.400 3.096 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccnc2N)CC1 ZINC000296716972 226155475 /nfs/dbraw/zinc/15/54/75/226155475.db2.gz GYZYXOOWNRZMPW-INIZCTEOSA-N 2 1 316.493 3.140 20 0 DGADMP CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000291189190 222208384 /nfs/dbraw/zinc/20/83/84/222208384.db2.gz OZAVHCBGTFWLEI-UHFFFAOYSA-N 2 1 316.489 3.100 20 0 DGADMP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291222765 222235713 /nfs/dbraw/zinc/23/57/13/222235713.db2.gz SKBDZUOQTJEOOO-HKUYNNGSSA-N 2 1 316.489 3.098 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@@H]1C ZINC000192837709 263785218 /nfs/dbraw/zinc/78/52/18/263785218.db2.gz QSAMOSIZIOTMQP-RBUKOAKNSA-N 2 1 309.542 3.303 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000346279492 264001524 /nfs/dbraw/zinc/00/15/24/264001524.db2.gz QOSCSQNPGMGXGC-VMWRSERWSA-N 2 1 305.466 3.251 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000346279492 264001528 /nfs/dbraw/zinc/00/15/28/264001528.db2.gz QOSCSQNPGMGXGC-VMWRSERWSA-N 2 1 305.466 3.251 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000346469355 264037847 /nfs/dbraw/zinc/03/78/47/264037847.db2.gz BALLBGIZFIOOQD-VQIMIIECSA-N 2 1 302.462 3.117 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000346469353 264038048 /nfs/dbraw/zinc/03/80/48/264038048.db2.gz BALLBGIZFIOOQD-QFBILLFUSA-N 2 1 302.462 3.117 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCCO1 ZINC000346550187 264051673 /nfs/dbraw/zinc/05/16/73/264051673.db2.gz DLRPWBYBRWSEME-QBYUYEEZSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCCO1 ZINC000346550187 264051675 /nfs/dbraw/zinc/05/16/75/264051675.db2.gz DLRPWBYBRWSEME-QBYUYEEZSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCO1 ZINC000346571380 264056843 /nfs/dbraw/zinc/05/68/43/264056843.db2.gz YSGJCQYAQGUOOP-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCO1 ZINC000346571380 264056844 /nfs/dbraw/zinc/05/68/44/264056844.db2.gz YSGJCQYAQGUOOP-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OCC ZINC000346650532 264072762 /nfs/dbraw/zinc/07/27/62/264072762.db2.gz CRUXZMGLWXFWML-MRXNPFEDSA-N 2 1 308.466 3.289 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000346668287 264076605 /nfs/dbraw/zinc/07/66/05/264076605.db2.gz IFKVEBBWATYPDX-WMZOPIPTSA-N 2 1 310.441 3.435 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346670714 264077646 /nfs/dbraw/zinc/07/76/46/264077646.db2.gz GUICSELLXBRQPG-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346689560 264080833 /nfs/dbraw/zinc/08/08/33/264080833.db2.gz ZLVWPOXYVZSFGW-CQSZACIVSA-N 2 1 314.857 3.162 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346689560 264080835 /nfs/dbraw/zinc/08/08/35/264080835.db2.gz ZLVWPOXYVZSFGW-CQSZACIVSA-N 2 1 314.857 3.162 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000346693166 264081271 /nfs/dbraw/zinc/08/12/71/264081271.db2.gz LBFLCXUNNIAMQU-UHFFFAOYSA-N 2 1 306.841 3.147 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC(C)(C)C[NH3+] ZINC000346693497 264081280 /nfs/dbraw/zinc/08/12/80/264081280.db2.gz NIPNSBUAUCTEFV-UHFFFAOYSA-N 2 1 306.841 3.147 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346695109 264081482 /nfs/dbraw/zinc/08/14/82/264081482.db2.gz YHPWWOAOQWIAQV-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346821073 264103777 /nfs/dbraw/zinc/10/37/77/264103777.db2.gz LERPIAGFLWXEPA-YESZJQIVSA-N 2 1 318.461 3.043 20 0 DGADMP CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000346841823 264107466 /nfs/dbraw/zinc/10/74/66/264107466.db2.gz HFJPZDIFUOCKNI-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000346841826 264107527 /nfs/dbraw/zinc/10/75/27/264107527.db2.gz HFJPZDIFUOCKNI-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC000346849408 264108275 /nfs/dbraw/zinc/10/82/75/264108275.db2.gz SFVZWBPLQYBMCY-BHYGNILZSA-N 2 1 318.461 3.042 20 0 DGADMP CC(C)([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000346979696 264133070 /nfs/dbraw/zinc/13/30/70/264133070.db2.gz LPYVXZKVRMMPRH-GFCCVEGCSA-N 2 1 311.267 3.273 20 0 DGADMP CCCOc1c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000347003373 264138239 /nfs/dbraw/zinc/13/82/39/264138239.db2.gz LBYORTQMWDQHDV-HZPDHXFCSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000347003373 264138240 /nfs/dbraw/zinc/13/82/40/264138240.db2.gz LBYORTQMWDQHDV-HZPDHXFCSA-N 2 1 320.477 3.433 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347007421 264139136 /nfs/dbraw/zinc/13/91/36/264139136.db2.gz QJXRRNVZXRTCNW-CRAIPNDOSA-N 2 1 312.461 3.165 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347007421 264139138 /nfs/dbraw/zinc/13/91/38/264139138.db2.gz QJXRRNVZXRTCNW-CRAIPNDOSA-N 2 1 312.461 3.165 20 0 DGADMP CCC[N@@H+](Cc1ccc(OCC)c(OCC)c1)C1CC[NH2+]CC1 ZINC000347013336 264140158 /nfs/dbraw/zinc/14/01/58/264140158.db2.gz HWKCHLMUHZYUTB-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037734 264144618 /nfs/dbraw/zinc/14/46/18/264144618.db2.gz FXNZJPLPTOSGHN-NEPJUHHUSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037734 264144620 /nfs/dbraw/zinc/14/46/20/264144620.db2.gz FXNZJPLPTOSGHN-NEPJUHHUSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347039283 264145078 /nfs/dbraw/zinc/14/50/78/264145078.db2.gz GRZLWLYWQHLGDZ-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCC(C)C ZINC000347040519 264146380 /nfs/dbraw/zinc/14/63/80/264146380.db2.gz KOQGCKOWPDSYLN-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCC(C)C ZINC000347040519 264146382 /nfs/dbraw/zinc/14/63/82/264146382.db2.gz KOQGCKOWPDSYLN-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347055844 264148726 /nfs/dbraw/zinc/14/87/26/264148726.db2.gz UIIWEQYNIXLTHB-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347055844 264148731 /nfs/dbraw/zinc/14/87/31/264148731.db2.gz UIIWEQYNIXLTHB-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347067568 264150901 /nfs/dbraw/zinc/15/09/01/264150901.db2.gz MYVMKTZPDASQCB-YIONKMFJSA-N 2 1 310.388 3.045 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347067442 264151052 /nfs/dbraw/zinc/15/10/52/264151052.db2.gz MQYQXFWPORIRKB-INIZCTEOSA-N 2 1 314.404 3.185 20 0 DGADMP CCCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347091478 264154676 /nfs/dbraw/zinc/15/46/76/264154676.db2.gz FWYBWULGXYVNBB-SJPCQFCGSA-N 2 1 318.461 3.199 20 0 DGADMP CCCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347091478 264154677 /nfs/dbraw/zinc/15/46/77/264154677.db2.gz FWYBWULGXYVNBB-SJPCQFCGSA-N 2 1 318.461 3.199 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC(C)C ZINC000347102413 264156377 /nfs/dbraw/zinc/15/63/77/264156377.db2.gz KKNSNYAXHMVOLI-HUUCEWRRSA-N 2 1 306.450 3.042 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC(C)C ZINC000347102413 264156379 /nfs/dbraw/zinc/15/63/79/264156379.db2.gz KKNSNYAXHMVOLI-HUUCEWRRSA-N 2 1 306.450 3.042 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347113899 264159156 /nfs/dbraw/zinc/15/91/56/264159156.db2.gz SKASSYRMRPBDKL-AWEZNQCLSA-N 2 1 301.459 3.242 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347113899 264159158 /nfs/dbraw/zinc/15/91/58/264159158.db2.gz SKASSYRMRPBDKL-AWEZNQCLSA-N 2 1 301.459 3.242 20 0 DGADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OCC(C)C ZINC000347122886 264160910 /nfs/dbraw/zinc/16/09/10/264160910.db2.gz WLNPFZBFQKKEMU-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OCC(C)C ZINC000347122886 264160912 /nfs/dbraw/zinc/16/09/12/264160912.db2.gz WLNPFZBFQKKEMU-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+](Cc1cnc(-c2ccncc2)s1)C1CC[NH2+]CC1 ZINC000347153192 264166240 /nfs/dbraw/zinc/16/62/40/264166240.db2.gz BWGRTMOORVYHRJ-UHFFFAOYSA-N 2 1 316.474 3.169 20 0 DGADMP CCC[N@@H+](Cc1cnc(-c2ccncc2)s1)C1CC[NH2+]CC1 ZINC000347153192 264166244 /nfs/dbraw/zinc/16/62/44/264166244.db2.gz BWGRTMOORVYHRJ-UHFFFAOYSA-N 2 1 316.474 3.169 20 0 DGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347165032 264168116 /nfs/dbraw/zinc/16/81/16/264168116.db2.gz JNQZMODDBOFVPZ-YOFSQIOKSA-N 2 1 307.441 3.463 20 0 DGADMP CCC[N@@H+](Cc1ccc(SC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347187733 264172453 /nfs/dbraw/zinc/17/24/53/264172453.db2.gz CLWBNCSNGVYCCB-UHFFFAOYSA-N 2 1 308.491 3.381 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347208354 264175512 /nfs/dbraw/zinc/17/55/12/264175512.db2.gz MYMAYTOWRDETBL-TZMCWYRMSA-N 2 1 318.852 3.289 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217893 264177238 /nfs/dbraw/zinc/17/72/38/264177238.db2.gz SAQKBNGKCJWYAE-GDBMZVCRSA-N 2 1 304.482 3.027 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217893 264177240 /nfs/dbraw/zinc/17/72/40/264177240.db2.gz SAQKBNGKCJWYAE-GDBMZVCRSA-N 2 1 304.482 3.027 20 0 DGADMP CCC[C@H](NCC[C@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654345 264261397 /nfs/dbraw/zinc/26/13/97/264261397.db2.gz SABRIEWWWVGSCN-CVEARBPZSA-N 2 1 315.465 3.035 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1OC ZINC000347672571 264264078 /nfs/dbraw/zinc/26/40/78/264264078.db2.gz MBEQNUVWAPKFIN-UHFFFAOYSA-N 2 1 320.477 3.317 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1OC ZINC000347672571 264264080 /nfs/dbraw/zinc/26/40/80/264264080.db2.gz MBEQNUVWAPKFIN-UHFFFAOYSA-N 2 1 320.477 3.317 20 0 DGADMP CCS[C@@H]1CCCCN(Cc2ncc(CN(C)C)s2)C1 ZINC000347812554 264288618 /nfs/dbraw/zinc/28/86/18/264288618.db2.gz LKBAERZRMNXYNG-CYBMUJFWSA-N 2 1 313.536 3.312 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347849871 264295291 /nfs/dbraw/zinc/29/52/91/264295291.db2.gz JUMYXLRQLZJOHX-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347849871 264295292 /nfs/dbraw/zinc/29/52/92/264295292.db2.gz JUMYXLRQLZJOHX-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855404 264295858 /nfs/dbraw/zinc/29/58/58/264295858.db2.gz MZTIOZNUSWOEKD-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855404 264295859 /nfs/dbraw/zinc/29/58/59/264295859.db2.gz MZTIOZNUSWOEKD-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855404 264295860 /nfs/dbraw/zinc/29/58/60/264295860.db2.gz MZTIOZNUSWOEKD-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347855404 264295861 /nfs/dbraw/zinc/29/58/61/264295861.db2.gz MZTIOZNUSWOEKD-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874598 264300037 /nfs/dbraw/zinc/30/00/37/264300037.db2.gz VTRKYKMDRACQLJ-PBHICJAKSA-N 2 1 320.477 3.317 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874598 264300039 /nfs/dbraw/zinc/30/00/39/264300039.db2.gz VTRKYKMDRACQLJ-PBHICJAKSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874598 264300041 /nfs/dbraw/zinc/30/00/41/264300041.db2.gz VTRKYKMDRACQLJ-PBHICJAKSA-N 2 1 320.477 3.317 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2C)C[C@H]1C ZINC000347874598 264300044 /nfs/dbraw/zinc/30/00/44/264300044.db2.gz VTRKYKMDRACQLJ-PBHICJAKSA-N 2 1 320.477 3.317 20 0 DGADMP C[C@H](NCC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000347968409 264316698 /nfs/dbraw/zinc/31/66/98/264316698.db2.gz UOGLUQCDCQPJAI-KSZLIROESA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968409 264316701 /nfs/dbraw/zinc/31/67/01/264316701.db2.gz UOGLUQCDCQPJAI-KSZLIROESA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968409 264316702 /nfs/dbraw/zinc/31/67/02/264316702.db2.gz UOGLUQCDCQPJAI-KSZLIROESA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000347968409 264316705 /nfs/dbraw/zinc/31/67/05/264316705.db2.gz UOGLUQCDCQPJAI-KSZLIROESA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000347968409 264316706 /nfs/dbraw/zinc/31/67/06/264316706.db2.gz UOGLUQCDCQPJAI-KSZLIROESA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968409 264316708 /nfs/dbraw/zinc/31/67/08/264316708.db2.gz UOGLUQCDCQPJAI-KSZLIROESA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968409 264316709 /nfs/dbraw/zinc/31/67/09/264316709.db2.gz UOGLUQCDCQPJAI-KSZLIROESA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000348057914 264330508 /nfs/dbraw/zinc/33/05/08/264330508.db2.gz UWZINJDOODUISF-ZFWWWQNUSA-N 2 1 316.367 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000348057914 264330510 /nfs/dbraw/zinc/33/05/10/264330510.db2.gz UWZINJDOODUISF-ZFWWWQNUSA-N 2 1 316.367 3.023 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000348096028 264339669 /nfs/dbraw/zinc/33/96/69/264339669.db2.gz OKTXASBLNQOXOQ-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000348096028 264339670 /nfs/dbraw/zinc/33/96/70/264339670.db2.gz OKTXASBLNQOXOQ-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP CCc1ccc(CN(C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000348173374 264357865 /nfs/dbraw/zinc/35/78/65/264357865.db2.gz IZTILXUKLMSUSS-QUCCMNQESA-N 2 1 324.472 3.164 20 0 DGADMP CCc1ccc(CN(C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000348173374 264357867 /nfs/dbraw/zinc/35/78/67/264357867.db2.gz IZTILXUKLMSUSS-QUCCMNQESA-N 2 1 324.472 3.164 20 0 DGADMP CC[NH+](CC)CCN(CC[C@@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000348258662 264376363 /nfs/dbraw/zinc/37/63/63/264376363.db2.gz XYWADAKOAIIADU-KRWDZBQOSA-N 2 1 323.550 3.376 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)CC1(O)CCCC1 ZINC000348267287 264378612 /nfs/dbraw/zinc/37/86/12/264378612.db2.gz PXUHOBDOOZXGMG-LJQANCHMSA-N 2 1 316.489 3.278 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)C(C)C)cc1 ZINC000348301114 264384734 /nfs/dbraw/zinc/38/47/34/264384734.db2.gz IKUSISUPSGSSPW-WMLDXEAASA-N 2 1 301.434 3.096 20 0 DGADMP CC(=O)c1ccccc1OCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352487628 265067263 /nfs/dbraw/zinc/06/72/63/265067263.db2.gz HFFIJMUUDWXTNS-UHFFFAOYSA-N 2 1 318.461 3.109 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C)Cc3ccccc3C2)s1 ZINC000352741971 265149283 /nfs/dbraw/zinc/14/92/83/265149283.db2.gz KLIJPMIMKFIDDA-UHFFFAOYSA-N 2 1 315.486 3.099 20 0 DGADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1 ZINC000352761410 265155555 /nfs/dbraw/zinc/15/55/55/265155555.db2.gz XGUPETTXZNOJHL-GFCCVEGCSA-N 2 1 307.438 3.237 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000352803581 265173062 /nfs/dbraw/zinc/17/30/62/265173062.db2.gz BUKNDFNYSQWGAZ-DFEOGRTESA-N 2 1 307.526 3.102 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000352803581 265173066 /nfs/dbraw/zinc/17/30/66/265173066.db2.gz BUKNDFNYSQWGAZ-DFEOGRTESA-N 2 1 307.526 3.102 20 0 DGADMP COc1cccc(OC)c1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000352811507 265177208 /nfs/dbraw/zinc/17/72/08/265177208.db2.gz DQQGPFPOHCYHIW-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000352813508 265179161 /nfs/dbraw/zinc/17/91/61/265179161.db2.gz BUMARCMRVMYCMT-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000352813508 265179165 /nfs/dbraw/zinc/17/91/65/265179165.db2.gz BUMARCMRVMYCMT-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000352813508 265179168 /nfs/dbraw/zinc/17/91/68/265179168.db2.gz BUMARCMRVMYCMT-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP COc1cccc([C@@H](C)NCc2ncc(C[NH+](C)C)s2)c1 ZINC000352816861 265179185 /nfs/dbraw/zinc/17/91/85/265179185.db2.gz MONDPWBLEYMRMO-GFCCVEGCSA-N 2 1 305.447 3.064 20 0 DGADMP COc1cccc(OC)c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000352814020 265179322 /nfs/dbraw/zinc/17/93/22/265179322.db2.gz JRVJVJQUVGPQEH-INIZCTEOSA-N 2 1 320.477 3.448 20 0 DGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000352821584 265181917 /nfs/dbraw/zinc/18/19/17/265181917.db2.gz QEJVEZGRAJWHNL-FQEVSTJZSA-N 2 1 323.484 3.298 20 0 DGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000352821584 265181920 /nfs/dbraw/zinc/18/19/20/265181920.db2.gz QEJVEZGRAJWHNL-FQEVSTJZSA-N 2 1 323.484 3.298 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(F)cc3)CC2)s1 ZINC000352828298 265185586 /nfs/dbraw/zinc/18/55/86/265185586.db2.gz UPLDOUDVIMWIKC-UHFFFAOYSA-N 2 1 319.449 3.165 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc3[nH]ccc3c2)s1 ZINC000352867278 265205727 /nfs/dbraw/zinc/20/57/27/265205727.db2.gz PHDKJVVUMFESIO-UHFFFAOYSA-N 2 1 314.458 3.018 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C)cc1 ZINC000353321382 265389091 /nfs/dbraw/zinc/38/90/91/265389091.db2.gz PSHHZDYLKFJCTN-MOPGFXCFSA-N 2 1 304.478 3.129 20 0 DGADMP CC[N@H+](Cc1ccccc1N1CC[NH+](CC)CC1)CC1CC1 ZINC000353569305 265471170 /nfs/dbraw/zinc/47/11/70/265471170.db2.gz VKUYTPOVQHAHPS-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355219393 266004499 /nfs/dbraw/zinc/00/44/99/266004499.db2.gz IUXZJEDWTNLWAW-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355219393 266004501 /nfs/dbraw/zinc/00/45/01/266004501.db2.gz IUXZJEDWTNLWAW-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000355219393 266004503 /nfs/dbraw/zinc/00/45/03/266004503.db2.gz IUXZJEDWTNLWAW-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000355219393 266004505 /nfs/dbraw/zinc/00/45/05/266004505.db2.gz IUXZJEDWTNLWAW-DLBZAZTESA-N 2 1 318.461 3.010 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221554 266006057 /nfs/dbraw/zinc/00/60/57/266006057.db2.gz MVEWBLDMRXCSIB-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221554 266006060 /nfs/dbraw/zinc/00/60/60/266006060.db2.gz MVEWBLDMRXCSIB-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221554 266006067 /nfs/dbraw/zinc/00/60/67/266006067.db2.gz MVEWBLDMRXCSIB-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(C4CCC4)s3)CC[C@H]21 ZINC000355221554 266006070 /nfs/dbraw/zinc/00/60/70/266006070.db2.gz MVEWBLDMRXCSIB-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000355582946 266122807 /nfs/dbraw/zinc/12/28/07/266122807.db2.gz MJZKYYVPXTWJBB-APWZRJJASA-N 2 1 320.452 3.162 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccncc2)CC1)CC1CC1 ZINC000355886374 266219075 /nfs/dbraw/zinc/21/90/75/266219075.db2.gz DINBCRDHSXUHGP-UHFFFAOYSA-N 2 1 301.478 3.416 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccnc2)CC1)CC1CC1 ZINC000355896544 266221269 /nfs/dbraw/zinc/22/12/69/266221269.db2.gz ZDHSMIXTPFVSSA-UHFFFAOYSA-N 2 1 301.478 3.416 20 0 DGADMP CSC1(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000356163929 266304055 /nfs/dbraw/zinc/30/40/55/266304055.db2.gz KVRXUZJDJMJIRV-UHFFFAOYSA-N 2 1 304.503 3.310 20 0 DGADMP CSC1(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCC1 ZINC000356163929 266304056 /nfs/dbraw/zinc/30/40/56/266304056.db2.gz KVRXUZJDJMJIRV-UHFFFAOYSA-N 2 1 304.503 3.310 20 0 DGADMP CC1(C)C[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1[C@@H]1CCCO1 ZINC000356243143 266330425 /nfs/dbraw/zinc/33/04/25/266330425.db2.gz GQJSJMKREFQDRN-HOTGVXAUSA-N 2 1 317.458 3.323 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000191201271 432233702 /nfs/dbraw/zinc/23/37/02/432233702.db2.gz GLDUFYKPAAJKOM-HOCLYGCPSA-N 2 1 306.498 3.329 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000191201271 432233705 /nfs/dbraw/zinc/23/37/05/432233705.db2.gz GLDUFYKPAAJKOM-HOCLYGCPSA-N 2 1 306.498 3.329 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2c(s1)CCCC2 ZINC000151364778 432241583 /nfs/dbraw/zinc/24/15/83/432241583.db2.gz DAQQEHAJCHKXSI-CQSZACIVSA-N 2 1 322.518 3.124 20 0 DGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000151378826 432243064 /nfs/dbraw/zinc/24/30/64/432243064.db2.gz FPTDLZYUNIWZEE-KRWDZBQOSA-N 2 1 310.869 3.228 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247698248 432246987 /nfs/dbraw/zinc/24/69/87/432246987.db2.gz UFGQKCZTASLTCL-SWLSCSKDSA-N 2 1 311.267 3.330 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2occc2c1 ZINC000368021856 271116188 /nfs/dbraw/zinc/11/61/88/271116188.db2.gz MPVWMMDRRYVGFN-ZHALLVOQSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2occc2c1 ZINC000368021856 271116194 /nfs/dbraw/zinc/11/61/94/271116194.db2.gz MPVWMMDRRYVGFN-ZHALLVOQSA-N 2 1 314.429 3.116 20 0 DGADMP c1ccc(CN2CCCO[C@@H](C[N@H+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058572 271126996 /nfs/dbraw/zinc/12/69/96/271126996.db2.gz XEYWICOAOBDWPR-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000368530535 271165141 /nfs/dbraw/zinc/16/51/41/271165141.db2.gz NEIBJPLXOGDXIN-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000369701845 271312042 /nfs/dbraw/zinc/31/20/42/271312042.db2.gz GNQHGNDWMREARF-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)[C@H](C)C1 ZINC000151562652 432255854 /nfs/dbraw/zinc/25/58/54/432255854.db2.gz RBIUPZIMIQDWFQ-CPUCHLNUSA-N 2 1 310.869 3.427 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423284769 273546106 /nfs/dbraw/zinc/54/61/06/273546106.db2.gz YJAMZZZTYDYKEE-GXTWGEPZSA-N 2 1 301.356 3.051 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963044 432257648 /nfs/dbraw/zinc/25/76/48/432257648.db2.gz DBUSQURYZYVVJU-RBUKOAKNSA-N 2 1 307.526 3.059 20 0 DGADMP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000423009240 274094943 /nfs/dbraw/zinc/09/49/43/274094943.db2.gz VHJAKUBRNKAKJW-MJGOQNOKSA-N 2 1 319.408 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc2ccccc2n1C ZINC000423374197 274252212 /nfs/dbraw/zinc/25/22/12/274252212.db2.gz IAAGLMPNHRPFRD-CYBMUJFWSA-N 2 1 306.413 3.027 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424297433 274284032 /nfs/dbraw/zinc/28/40/32/274284032.db2.gz SPXSFKIVBHWCIC-CYBMUJFWSA-N 2 1 323.278 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3sccc32)CCCO1 ZINC000432418352 274347623 /nfs/dbraw/zinc/34/76/23/274347623.db2.gz RJKIYAZDQFSAQW-GDBMZVCRSA-N 2 1 308.491 3.216 20 0 DGADMP CC1(C)CC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000434685414 275825261 /nfs/dbraw/zinc/82/52/61/275825261.db2.gz PVCURMQOXROMPT-KRWDZBQOSA-N 2 1 317.477 3.356 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247971820 276110120 /nfs/dbraw/zinc/11/01/20/276110120.db2.gz JMODVKQMQLVYPS-QFBILLFUSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247971820 276110121 /nfs/dbraw/zinc/11/01/21/276110121.db2.gz JMODVKQMQLVYPS-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247971820 276110122 /nfs/dbraw/zinc/11/01/22/276110122.db2.gz JMODVKQMQLVYPS-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247971820 276110123 /nfs/dbraw/zinc/11/01/23/276110123.db2.gz JMODVKQMQLVYPS-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000426763826 276231048 /nfs/dbraw/zinc/23/10/48/276231048.db2.gz DXSQMJTZCBBVNU-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426763826 276231049 /nfs/dbraw/zinc/23/10/49/276231049.db2.gz DXSQMJTZCBBVNU-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000426763826 276231050 /nfs/dbraw/zinc/23/10/50/276231050.db2.gz DXSQMJTZCBBVNU-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCO[C@H]1C[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125498586 276361595 /nfs/dbraw/zinc/36/15/95/276361595.db2.gz ZDSIBZQVEXRAHK-SJORKVTESA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125498586 276361598 /nfs/dbraw/zinc/36/15/98/276361598.db2.gz ZDSIBZQVEXRAHK-SJORKVTESA-N 2 1 305.466 3.251 20 0 DGADMP CN(c1ccccc1)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000179254472 277003086 /nfs/dbraw/zinc/00/30/86/277003086.db2.gz KRLSWYFELOZRNG-KRWDZBQOSA-N 2 1 301.478 3.072 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000282407207 277023196 /nfs/dbraw/zinc/02/31/96/277023196.db2.gz COEGAWCXBMZXPE-MRXNPFEDSA-N 2 1 321.262 3.288 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000461879148 277030813 /nfs/dbraw/zinc/03/08/13/277030813.db2.gz ZDNKYGFCLSVIRC-UHFFFAOYSA-N 2 1 322.452 3.472 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000040226778 277031453 /nfs/dbraw/zinc/03/14/53/277031453.db2.gz PRGDFQWMDQTVGV-HNNXBMFYSA-N 2 1 309.251 3.120 20 0 DGADMP C[NH+]1CCC([C@@H]2CCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000274880383 277033253 /nfs/dbraw/zinc/03/32/53/277033253.db2.gz HKWOOPQBKVMOOF-CYBMUJFWSA-N 2 1 324.266 3.012 20 0 DGADMP COCc1nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(-c2ccccc2)s1 ZINC000423104058 277271823 /nfs/dbraw/zinc/27/18/23/277271823.db2.gz PRRLPZQKBJHADX-STQMWFEESA-N 2 1 319.474 3.172 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183914252 277397170 /nfs/dbraw/zinc/39/71/70/277397170.db2.gz JXPLZOIJOZLPJY-JKSUJKDBSA-N 2 1 312.498 3.064 20 0 DGADMP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000414240308 277699003 /nfs/dbraw/zinc/69/90/03/277699003.db2.gz ZSYYKBILFVJZEQ-JXFKEZNVSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCCC1)CCS2 ZINC000423174286 277981733 /nfs/dbraw/zinc/98/17/33/277981733.db2.gz ABEADIBGUAATKW-HNNXBMFYSA-N 2 1 306.475 3.483 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC[NH2+]1 ZINC000414744383 278011814 /nfs/dbraw/zinc/01/18/14/278011814.db2.gz IFRRGEFKVVHAGB-MISYRCLQSA-N 2 1 316.489 3.098 20 0 DGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000279044464 278126445 /nfs/dbraw/zinc/12/64/45/278126445.db2.gz JPPJAGYKKBZDOG-RDJZCZTQSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000422737727 278216195 /nfs/dbraw/zinc/21/61/95/278216195.db2.gz XUWOQUMNODRKQG-MNEFBYGVSA-N 2 1 321.484 3.329 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000422737726 278218277 /nfs/dbraw/zinc/21/82/77/278218277.db2.gz XUWOQUMNODRKQG-LZQZEXGQSA-N 2 1 321.484 3.329 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424297436 278328042 /nfs/dbraw/zinc/32/80/42/278328042.db2.gz SPXSFKIVBHWCIC-ZDUSSCGKSA-N 2 1 323.278 3.413 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1c[nH+]ccc1N ZINC000423065827 278350060 /nfs/dbraw/zinc/35/00/60/278350060.db2.gz VGFUHGCNZUBMPG-RISCZKNCSA-N 2 1 309.335 3.491 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833511 278355621 /nfs/dbraw/zinc/35/56/21/278355621.db2.gz QSYOSTYRNVHRRV-XLIONFOSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833511 278355624 /nfs/dbraw/zinc/35/56/24/278355624.db2.gz QSYOSTYRNVHRRV-XLIONFOSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000414803736 278464826 /nfs/dbraw/zinc/46/48/26/278464826.db2.gz NYSIXVFQRZARBS-FPAYPSAMSA-N 3 1 307.526 3.137 20 0 DGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423282468 288084654 /nfs/dbraw/zinc/08/46/54/288084654.db2.gz VCRHHSBNRVYRTG-UONOGXRCSA-N 2 1 315.230 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000157528172 288103016 /nfs/dbraw/zinc/10/30/16/288103016.db2.gz XJZYNRBNBDUUOR-MDZRGWNJSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528172 288103017 /nfs/dbraw/zinc/10/30/17/288103017.db2.gz XJZYNRBNBDUUOR-MDZRGWNJSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528172 288103019 /nfs/dbraw/zinc/10/30/19/288103019.db2.gz XJZYNRBNBDUUOR-MDZRGWNJSA-N 3 1 307.526 3.102 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000247040375 279165112 /nfs/dbraw/zinc/16/51/12/279165112.db2.gz MSWVHYRHKAVADM-USXIJHARSA-N 2 1 309.523 3.203 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018772 279165625 /nfs/dbraw/zinc/16/56/25/279165625.db2.gz KIOZIFARNIGLSH-BHYGNILZSA-N 2 1 309.523 3.061 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414660579 279320347 /nfs/dbraw/zinc/32/03/47/279320347.db2.gz OQYRNXGMQWWNFI-TYNCELHUSA-N 2 1 300.368 3.478 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000069017172 431156285 /nfs/dbraw/zinc/15/62/85/431156285.db2.gz XKFGRCOUOUYJJU-HDICACEKSA-N 2 1 316.489 3.050 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000069723886 431216937 /nfs/dbraw/zinc/21/69/37/431216937.db2.gz YZHIZUUZGMOAEQ-SNVBAGLBSA-N 2 1 303.269 3.071 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000069724186 431217140 /nfs/dbraw/zinc/21/71/40/431217140.db2.gz DKSJPIYUOUJNHL-SNVBAGLBSA-N 2 1 303.269 3.071 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CCCC2)C[C@H](C)O1 ZINC000069833370 431225465 /nfs/dbraw/zinc/22/54/65/431225465.db2.gz RJUIQNFOBJDHKD-IYBDPMFKSA-N 2 1 302.462 3.328 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111695452 431231605 /nfs/dbraw/zinc/23/16/05/431231605.db2.gz LFULCMSYOYZZGK-YPMHNXCESA-N 2 1 302.340 3.144 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000113516121 431351338 /nfs/dbraw/zinc/35/13/38/431351338.db2.gz OWIPWOWHDRTTQK-AWEZNQCLSA-N 2 1 316.367 3.011 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000113516121 431351347 /nfs/dbraw/zinc/35/13/47/431351347.db2.gz OWIPWOWHDRTTQK-AWEZNQCLSA-N 2 1 316.367 3.011 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Br ZINC000073852563 431385426 /nfs/dbraw/zinc/38/54/26/431385426.db2.gz XBIFOQQCSPNJBJ-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)[C@H](C)C1 ZINC000115628570 431466783 /nfs/dbraw/zinc/46/67/83/431466783.db2.gz GRQBDGSRQOOCDM-ZPPSIVDRSA-N 2 1 316.489 3.426 20 0 DGADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836507 431499636 /nfs/dbraw/zinc/49/96/36/431499636.db2.gz YWCVNAGTZVXRBY-IBGZPJMESA-N 2 1 318.509 3.170 20 0 DGADMP C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118841198 431620633 /nfs/dbraw/zinc/62/06/33/431620633.db2.gz QTZSPGJIQNPEIV-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[N@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118841198 431620638 /nfs/dbraw/zinc/62/06/38/431620638.db2.gz QTZSPGJIQNPEIV-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cc(F)cc2cccnc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841198 431620641 /nfs/dbraw/zinc/62/06/41/431620641.db2.gz QTZSPGJIQNPEIV-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cc(F)cc2cccnc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841198 431620643 /nfs/dbraw/zinc/62/06/43/431620643.db2.gz QTZSPGJIQNPEIV-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CCN(CC)[C@@H](CNC(=O)Nc1ccnc(C)c1)c1ccco1 ZINC000119402635 431687194 /nfs/dbraw/zinc/68/71/94/431687194.db2.gz VWABXKADFWLPCC-HNNXBMFYSA-N 2 1 316.405 3.188 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000119489154 431699228 /nfs/dbraw/zinc/69/92/28/431699228.db2.gz ZWRGGSQAAYJPJI-CYBMUJFWSA-N 2 1 305.397 3.131 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)o1 ZINC000447581040 280649352 /nfs/dbraw/zinc/64/93/52/280649352.db2.gz RVSSDSWATWWXJC-KYNGSXCRSA-N 2 1 320.477 3.315 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081568505 431793799 /nfs/dbraw/zinc/79/37/99/431793799.db2.gz XFFFFEIOWLKNRA-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081568505 431793805 /nfs/dbraw/zinc/79/38/05/431793805.db2.gz XFFFFEIOWLKNRA-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081568505 431793811 /nfs/dbraw/zinc/79/38/11/431793811.db2.gz XFFFFEIOWLKNRA-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081568505 431793817 /nfs/dbraw/zinc/79/38/17/431793817.db2.gz XFFFFEIOWLKNRA-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(OC)c1 ZINC000121504327 431794943 /nfs/dbraw/zinc/79/49/43/431794943.db2.gz CGGCVPVSHJANCO-ZIAGYGMSSA-N 2 1 317.433 3.196 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000081568708 431796795 /nfs/dbraw/zinc/79/67/95/431796795.db2.gz LNSTYQNNDTVZMK-MRXNPFEDSA-N 2 1 308.441 3.258 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000081568708 431796799 /nfs/dbraw/zinc/79/67/99/431796799.db2.gz LNSTYQNNDTVZMK-MRXNPFEDSA-N 2 1 308.441 3.258 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000081568708 431796802 /nfs/dbraw/zinc/79/68/02/431796802.db2.gz LNSTYQNNDTVZMK-MRXNPFEDSA-N 2 1 308.441 3.258 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632134 431798103 /nfs/dbraw/zinc/79/81/03/431798103.db2.gz QGZZDEYAVYJUQL-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632134 431798109 /nfs/dbraw/zinc/79/81/09/431798109.db2.gz QGZZDEYAVYJUQL-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632134 431798115 /nfs/dbraw/zinc/79/81/15/431798115.db2.gz QGZZDEYAVYJUQL-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632134 431798125 /nfs/dbraw/zinc/79/81/25/431798125.db2.gz QGZZDEYAVYJUQL-MRXNPFEDSA-N 2 1 324.415 3.452 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000081634721 431798490 /nfs/dbraw/zinc/79/84/90/431798490.db2.gz DNLWEOLBASVMNY-QGZVFWFLSA-N 2 1 304.503 3.442 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000081634721 431798497 /nfs/dbraw/zinc/79/84/97/431798497.db2.gz DNLWEOLBASVMNY-QGZVFWFLSA-N 2 1 304.503 3.442 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000081634721 431798504 /nfs/dbraw/zinc/79/85/04/431798504.db2.gz DNLWEOLBASVMNY-QGZVFWFLSA-N 2 1 304.503 3.442 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000081634721 431798508 /nfs/dbraw/zinc/79/85/08/431798508.db2.gz DNLWEOLBASVMNY-QGZVFWFLSA-N 2 1 304.503 3.442 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121437307 431786198 /nfs/dbraw/zinc/78/61/98/431786198.db2.gz LVTBVUTWYJEUPN-JKSUJKDBSA-N 2 1 315.461 3.447 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121437209 431786780 /nfs/dbraw/zinc/78/67/80/431786780.db2.gz LVTBVUTWYJEUPN-CVEARBPZSA-N 2 1 315.461 3.447 20 0 DGADMP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000123098442 431854944 /nfs/dbraw/zinc/85/49/44/431854944.db2.gz HSHBCUHSNAPDRL-VQTJNVASSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000089513126 431868482 /nfs/dbraw/zinc/86/84/82/431868482.db2.gz VEHMAERIEIANGL-FPTDNZKUSA-N 2 1 322.518 3.338 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000089516829 431869254 /nfs/dbraw/zinc/86/92/54/431869254.db2.gz KOMJRMRGGZWUNG-RKVPGOIHSA-N 2 1 304.478 3.291 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594751 431871191 /nfs/dbraw/zinc/87/11/91/431871191.db2.gz PJYJQVASGOPJRC-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000035052744 431824666 /nfs/dbraw/zinc/82/46/66/431824666.db2.gz WEJDTQBVLSLULO-UHFFFAOYSA-N 2 1 304.463 3.102 20 0 DGADMP CC(C)c1ccc(CC[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000122594616 431838976 /nfs/dbraw/zinc/83/89/76/431838976.db2.gz DQIYAFKBVRVHGV-HXUWFJFHSA-N 2 1 318.505 3.179 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000125104080 431914042 /nfs/dbraw/zinc/91/40/42/431914042.db2.gz IUTSRJDEDKZMJK-LJQANCHMSA-N 2 1 300.446 3.363 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563835 431915992 /nfs/dbraw/zinc/91/59/92/431915992.db2.gz OTZTZTOZBMFMIY-IBGZPJMESA-N 2 1 315.461 3.095 20 0 DGADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563835 431915994 /nfs/dbraw/zinc/91/59/94/431915994.db2.gz OTZTZTOZBMFMIY-IBGZPJMESA-N 2 1 315.461 3.095 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125244193 431918454 /nfs/dbraw/zinc/91/84/54/431918454.db2.gz LHWFVZLEKBNQMU-IEBWSBKVSA-N 2 1 301.478 3.072 20 0 DGADMP CCn1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cn1 ZINC000123953157 431879605 /nfs/dbraw/zinc/87/96/05/431879605.db2.gz OXZUXIHMNKNVHR-HNNXBMFYSA-N 2 1 300.450 3.206 20 0 DGADMP C[C@H]1CCC[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000124211525 431886303 /nfs/dbraw/zinc/88/63/03/431886303.db2.gz CRJKCJYYIJQLSI-ZWKOTPCHSA-N 2 1 308.510 3.437 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000124241450 431886805 /nfs/dbraw/zinc/88/68/05/431886805.db2.gz WBHGMNOOFGWYOY-FGTMMUONSA-N 2 1 314.473 3.332 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1C ZINC000090218857 431890038 /nfs/dbraw/zinc/89/00/38/431890038.db2.gz GWIYKNGTMMHJPG-KSZLIROESA-N 2 1 304.478 3.472 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000124360517 431891745 /nfs/dbraw/zinc/89/17/45/431891745.db2.gz RLURXZIKCHLFDU-YOEHRIQHSA-N 2 1 318.461 3.229 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586211 431892712 /nfs/dbraw/zinc/89/27/12/431892712.db2.gz UZGQBBVQPZZYLS-PMACEKPBSA-N 2 1 318.505 3.202 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000090720701 431894589 /nfs/dbraw/zinc/89/45/89/431894589.db2.gz IYHQQMULJDPEBE-AAEUAGOBSA-N 2 1 302.340 3.158 20 0 DGADMP CC[C@H](COC)[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000124726855 431902398 /nfs/dbraw/zinc/90/23/98/431902398.db2.gz ZCHJBTKEMWXSAP-LUTGFWOYSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091321145 431904166 /nfs/dbraw/zinc/90/41/66/431904166.db2.gz IMSNWEVVKFINPP-ZIAGYGMSSA-N 2 1 311.433 3.065 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)cc1 ZINC000091284469 431904366 /nfs/dbraw/zinc/90/43/66/431904366.db2.gz IMKYXPRUKHOCAJ-KXBFYZLASA-N 2 1 302.462 3.466 20 0 DGADMP Cn1ccnc1[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000127540496 431975243 /nfs/dbraw/zinc/97/52/43/431975243.db2.gz DJDFDPNFXHTQOK-IBGZPJMESA-N 2 1 324.472 3.257 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C2CC2)cc1 ZINC000098144167 431979426 /nfs/dbraw/zinc/97/94/26/431979426.db2.gz DEQGXZSMCOELGH-UXHICEINSA-N 2 1 316.489 3.129 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127760102 431979806 /nfs/dbraw/zinc/97/98/06/431979806.db2.gz OQLZCIRWCRFZSL-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127760102 431979807 /nfs/dbraw/zinc/97/98/07/431979807.db2.gz OQLZCIRWCRFZSL-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127760102 431979808 /nfs/dbraw/zinc/97/98/08/431979808.db2.gz OQLZCIRWCRFZSL-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000049525829 431942056 /nfs/dbraw/zinc/94/20/56/431942056.db2.gz LPWVPNOFZWYXIK-LLVKDONJSA-N 2 1 308.223 3.305 20 0 DGADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126776347 431957702 /nfs/dbraw/zinc/95/77/02/431957702.db2.gz RGWIQZCSVHZQDM-ULQDDVLXSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776347 431957704 /nfs/dbraw/zinc/95/77/04/431957704.db2.gz RGWIQZCSVHZQDM-ULQDDVLXSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776347 431957707 /nfs/dbraw/zinc/95/77/07/431957707.db2.gz RGWIQZCSVHZQDM-ULQDDVLXSA-N 3 1 321.534 3.032 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000053658869 431964841 /nfs/dbraw/zinc/96/48/41/431964841.db2.gz KRQBMHXAPSKEPG-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC3 ZINC000493232866 281037035 /nfs/dbraw/zinc/03/70/35/281037035.db2.gz SSUBKKUAALPRLH-XHSDSOJGSA-N 2 1 311.473 3.406 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC3 ZINC000493232866 281037037 /nfs/dbraw/zinc/03/70/37/281037037.db2.gz SSUBKKUAALPRLH-XHSDSOJGSA-N 2 1 311.473 3.406 20 0 DGADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000128231236 431990835 /nfs/dbraw/zinc/99/08/35/431990835.db2.gz OCZVPHSUNQIYQZ-LJQANCHMSA-N 2 1 303.494 3.145 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000248175991 432273323 /nfs/dbraw/zinc/27/33/23/432273323.db2.gz VOHSATNYOCYSKA-KSZLIROESA-N 2 1 309.542 3.207 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000248175991 432273328 /nfs/dbraw/zinc/27/33/28/432273328.db2.gz VOHSATNYOCYSKA-KSZLIROESA-N 2 1 309.542 3.207 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000248175991 432273330 /nfs/dbraw/zinc/27/33/30/432273330.db2.gz VOHSATNYOCYSKA-KSZLIROESA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC(C)(C)C ZINC000191552344 432275438 /nfs/dbraw/zinc/27/54/38/432275438.db2.gz DCNXQTHTSLHRLO-UHFFFAOYSA-N 2 1 311.558 3.407 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000151963127 432292421 /nfs/dbraw/zinc/29/24/21/432292421.db2.gz FMMIVKVJGFAVLB-ZWKOTPCHSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000151963127 432292425 /nfs/dbraw/zinc/29/24/25/432292425.db2.gz FMMIVKVJGFAVLB-ZWKOTPCHSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248464993 432293488 /nfs/dbraw/zinc/29/34/88/432293488.db2.gz ZUBNSUANAOFMRI-OXQOHEQNSA-N 2 1 310.441 3.104 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccs1 ZINC000248461331 432295160 /nfs/dbraw/zinc/29/51/60/432295160.db2.gz XJFIALMYXACSDY-RHSMWYFYSA-N 2 1 316.470 3.166 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)[NH+]1CCCCC1 ZINC000248492912 432296043 /nfs/dbraw/zinc/29/60/43/432296043.db2.gz OXLUMQXBMMPGEB-PONJGIIJSA-N 2 1 322.518 3.339 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000191795389 432302193 /nfs/dbraw/zinc/30/21/93/432302193.db2.gz PWSGRIVZVBGGCM-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)C[NH+]1CCCCC1 ZINC000102423554 431993941 /nfs/dbraw/zinc/99/39/41/431993941.db2.gz KJZVUNBPMXTLDE-INIZCTEOSA-N 2 1 300.446 3.174 20 0 DGADMP COC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248005436 432261751 /nfs/dbraw/zinc/26/17/51/432261751.db2.gz KULRNZIGTFAKTF-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248005436 432261754 /nfs/dbraw/zinc/26/17/54/432261754.db2.gz KULRNZIGTFAKTF-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248005436 432261758 /nfs/dbraw/zinc/26/17/58/432261758.db2.gz KULRNZIGTFAKTF-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)c1ccccc1 ZINC000248003987 432262186 /nfs/dbraw/zinc/26/21/86/432262186.db2.gz KQHMMTKOCAZZJH-HKUYNNGSSA-N 2 1 318.505 3.179 20 0 DGADMP CCN(CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000248033440 432262901 /nfs/dbraw/zinc/26/29/01/432262901.db2.gz QWOXAJIHYNEORI-YQVWRLOYSA-N 2 1 303.494 3.221 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000270597184 432264106 /nfs/dbraw/zinc/26/41/06/432264106.db2.gz GGDSAIUKADOFGP-PEBXRYMYSA-N 2 1 319.474 3.012 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000270597184 432264109 /nfs/dbraw/zinc/26/41/09/432264109.db2.gz GGDSAIUKADOFGP-PEBXRYMYSA-N 2 1 319.474 3.012 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000248075386 432267074 /nfs/dbraw/zinc/26/70/74/432267074.db2.gz MXBAVBGALUZSQB-XMTFNYHQSA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248075386 432267077 /nfs/dbraw/zinc/26/70/77/432267077.db2.gz MXBAVBGALUZSQB-XMTFNYHQSA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000248075386 432267080 /nfs/dbraw/zinc/26/70/80/432267080.db2.gz MXBAVBGALUZSQB-XMTFNYHQSA-N 2 1 309.542 3.205 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192062288 432329325 /nfs/dbraw/zinc/32/93/25/432329325.db2.gz XRDLAURNSNYJKE-BRWVUGGUSA-N 2 1 308.853 3.244 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000183960562 432340621 /nfs/dbraw/zinc/34/06/21/432340621.db2.gz XLIGJTQCCNJEEQ-IAGOWNOFSA-N 2 1 314.473 3.333 20 0 DGADMP FC(F)OCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249286231 432344004 /nfs/dbraw/zinc/34/40/04/432344004.db2.gz OFZNRJSFANXWQQ-YESZJQIVSA-N 2 1 324.415 3.116 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000249319752 432344937 /nfs/dbraw/zinc/34/49/37/432344937.db2.gz QEXKCEOITNSBIL-FUHIMQAGSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000249319752 432344941 /nfs/dbraw/zinc/34/49/41/432344941.db2.gz QEXKCEOITNSBIL-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000249319752 432344944 /nfs/dbraw/zinc/34/49/44/432344944.db2.gz QEXKCEOITNSBIL-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000249319752 432344949 /nfs/dbraw/zinc/34/49/49/432344949.db2.gz QEXKCEOITNSBIL-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000249371211 432346361 /nfs/dbraw/zinc/34/63/61/432346361.db2.gz BQYRWLCGWDDENI-CHWSQXEVSA-N 2 1 311.267 3.442 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173870793 432304863 /nfs/dbraw/zinc/30/48/63/432304863.db2.gz QTNZPHLAKRZCSM-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173870793 432304868 /nfs/dbraw/zinc/30/48/68/432304868.db2.gz QTNZPHLAKRZCSM-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832694 432306705 /nfs/dbraw/zinc/30/67/05/432306705.db2.gz VIUGWOGMBFJGIX-QFBILLFUSA-N 2 1 314.429 3.221 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832694 432306708 /nfs/dbraw/zinc/30/67/08/432306708.db2.gz VIUGWOGMBFJGIX-QFBILLFUSA-N 2 1 314.429 3.221 20 0 DGADMP Brc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252674553 432385436 /nfs/dbraw/zinc/38/54/36/432385436.db2.gz RYQPGENCZVAOGI-RYUDHWBXSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252674553 432385440 /nfs/dbraw/zinc/38/54/40/432385440.db2.gz RYQPGENCZVAOGI-RYUDHWBXSA-N 2 1 315.280 3.227 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252788671 432388077 /nfs/dbraw/zinc/38/80/77/432388077.db2.gz PRWJEUUPGKCBJK-GJZGRUSLSA-N 2 1 323.278 3.474 20 0 DGADMP C[C@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153255878 432395812 /nfs/dbraw/zinc/39/58/12/432395812.db2.gz XTHOTLZLBLPKCV-YLJYHZDGSA-N 2 1 316.489 3.241 20 0 DGADMP CCOc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000153365991 432402400 /nfs/dbraw/zinc/40/24/00/432402400.db2.gz VNWSERWXLXKWCO-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000153365991 432402404 /nfs/dbraw/zinc/40/24/04/432402404.db2.gz VNWSERWXLXKWCO-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000153365991 432402408 /nfs/dbraw/zinc/40/24/08/432402408.db2.gz VNWSERWXLXKWCO-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000153365991 432402413 /nfs/dbraw/zinc/40/24/13/432402413.db2.gz VNWSERWXLXKWCO-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000152906121 432367703 /nfs/dbraw/zinc/36/77/03/432367703.db2.gz JHEFDFSQGGRENO-RDJZCZTQSA-N 2 1 308.853 3.277 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000192925133 432428700 /nfs/dbraw/zinc/42/87/00/432428700.db2.gz BJWOYCTXYVWQKV-OAHLLOKOSA-N 2 1 306.450 3.230 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261556750 432430156 /nfs/dbraw/zinc/43/01/56/432430156.db2.gz WGHPIZZBBZRDNY-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261556750 432430160 /nfs/dbraw/zinc/43/01/60/432430160.db2.gz WGHPIZZBBZRDNY-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]12 ZINC000261561704 432430532 /nfs/dbraw/zinc/43/05/32/432430532.db2.gz VRPHVZZEAJBWKZ-HMXCVIKNSA-N 2 1 322.452 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000261550162 432431611 /nfs/dbraw/zinc/43/16/11/432431611.db2.gz PJIUCFUHHILFNN-OXQOHEQNSA-N 2 1 310.441 3.435 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261556032 432431762 /nfs/dbraw/zinc/43/17/62/432431762.db2.gz VOBOBEIZKQPGOB-LJQANCHMSA-N 2 1 310.441 3.436 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000192966776 432435520 /nfs/dbraw/zinc/43/55/20/432435520.db2.gz DNCRAEINSUCQCI-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1c1ccccc1 ZINC000261680380 432439935 /nfs/dbraw/zinc/43/99/35/432439935.db2.gz JWIPSSPCOPJERP-UXHICEINSA-N 2 1 317.436 3.409 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000261684836 432441222 /nfs/dbraw/zinc/44/12/22/432441222.db2.gz IMEXSZRQPNYQSZ-OKZBNKHCSA-N 2 1 318.461 3.104 20 0 DGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000261696005 432441994 /nfs/dbraw/zinc/44/19/94/432441994.db2.gz JLQDEYYZRUXAPY-UHFFFAOYSA-N 2 1 317.477 3.070 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000153789817 432442865 /nfs/dbraw/zinc/44/28/65/432442865.db2.gz CHUQCWGMSPZSEZ-DSLXNQLJSA-N 2 1 302.462 3.227 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@@H]21 ZINC000261797823 432449997 /nfs/dbraw/zinc/44/99/97/432449997.db2.gz GTJTYZWGBWTEAB-YTQUADARSA-N 2 1 300.446 3.035 20 0 DGADMP C[C@@H](NCc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148388 432451682 /nfs/dbraw/zinc/45/16/82/432451682.db2.gz CVDBGGDUFSXSNE-ZBFHGGJFSA-N 2 1 301.459 3.143 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000192761480 432410729 /nfs/dbraw/zinc/41/07/29/432410729.db2.gz JAXJZACGQYYKHD-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271525677 432415080 /nfs/dbraw/zinc/41/50/80/432415080.db2.gz QCRKMNZQNYDSOP-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271525677 432415086 /nfs/dbraw/zinc/41/50/86/432415086.db2.gz QCRKMNZQNYDSOP-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271531846 432417037 /nfs/dbraw/zinc/41/70/37/432417037.db2.gz SCVHVCIZTAUOCM-LNLFQRSKSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271531846 432417042 /nfs/dbraw/zinc/41/70/42/432417042.db2.gz SCVHVCIZTAUOCM-LNLFQRSKSA-N 2 1 318.505 3.426 20 0 DGADMP COCCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCCC1 ZINC000185227076 432479541 /nfs/dbraw/zinc/47/95/41/432479541.db2.gz SCOBZKBIYWSLHT-UHFFFAOYSA-N 2 1 305.466 3.224 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272304977 432479767 /nfs/dbraw/zinc/47/97/67/432479767.db2.gz HPTHJYSZVFRKLF-AOIWGVFYSA-N 2 1 304.478 3.038 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]12 ZINC000262449772 432486399 /nfs/dbraw/zinc/48/63/99/432486399.db2.gz HPYFNFUDUWLECV-UHOFOFEASA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]12 ZINC000262449772 432486402 /nfs/dbraw/zinc/48/64/02/432486402.db2.gz HPYFNFUDUWLECV-UHOFOFEASA-N 2 1 317.820 3.164 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272352158 432487521 /nfs/dbraw/zinc/48/75/21/432487521.db2.gz DHVWUQYEWTXECA-LMMKCTJWSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272352158 432487523 /nfs/dbraw/zinc/48/75/23/432487523.db2.gz DHVWUQYEWTXECA-LMMKCTJWSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000272376074 432490787 /nfs/dbraw/zinc/49/07/87/432490787.db2.gz CTLPOUQJZJPDAK-ONSCTEFMSA-N 2 1 314.473 3.197 20 0 DGADMP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380153 432490980 /nfs/dbraw/zinc/49/09/80/432490980.db2.gz BQRHKOUKCSZRIY-HKUYNNGSSA-N 2 1 304.478 3.302 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000154380411 432495266 /nfs/dbraw/zinc/49/52/66/432495266.db2.gz VBZPIKQZKIXCMZ-WMZOPIPTSA-N 2 1 304.478 3.290 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154457603 432500218 /nfs/dbraw/zinc/50/02/18/432500218.db2.gz WPOVRQMVIZZZAN-SFHVURJKSA-N 2 1 317.521 3.317 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCCO2)C3)cc1 ZINC000272426997 432500512 /nfs/dbraw/zinc/50/05/12/432500512.db2.gz PJBVYPKAGPQYTL-YRPNKDGESA-N 2 1 314.473 3.341 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000154467742 432501202 /nfs/dbraw/zinc/50/12/02/432501202.db2.gz VKAFOFMLCNPGLJ-IBGZPJMESA-N 2 1 303.494 3.145 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447441 432503539 /nfs/dbraw/zinc/50/35/39/432503539.db2.gz VHFXZNWBCQHFJD-AFYVEPGGSA-N 2 1 324.472 3.057 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000154527474 432503658 /nfs/dbraw/zinc/50/36/58/432503658.db2.gz GTXGUOULBLPZIT-INIZCTEOSA-N 2 1 323.912 3.408 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000154543679 432506695 /nfs/dbraw/zinc/50/66/95/432506695.db2.gz XKHRQUMKUJBVHO-LJQANCHMSA-N 2 1 309.542 3.353 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487145 432510965 /nfs/dbraw/zinc/51/09/65/432510965.db2.gz MRDBASOMDSGOCM-KBXCAEBGSA-N 2 1 313.445 3.292 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272487145 432510968 /nfs/dbraw/zinc/51/09/68/432510968.db2.gz MRDBASOMDSGOCM-KBXCAEBGSA-N 2 1 313.445 3.292 20 0 DGADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261944115 432463201 /nfs/dbraw/zinc/46/32/01/432463201.db2.gz FAZJQEHLCYVAKD-OAQYLSRUSA-N 2 1 322.452 3.451 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261944115 432463206 /nfs/dbraw/zinc/46/32/06/432463206.db2.gz FAZJQEHLCYVAKD-OAQYLSRUSA-N 2 1 322.452 3.451 20 0 DGADMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227328 432465517 /nfs/dbraw/zinc/46/55/17/432465517.db2.gz QTJYUHBKSOIUFM-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273135752 432556712 /nfs/dbraw/zinc/55/67/12/432556712.db2.gz CWLLQASCMJBZQN-CVEARBPZSA-N 2 1 302.462 3.447 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccs2)[C@H](C)C1 ZINC000155581192 432562342 /nfs/dbraw/zinc/56/23/42/432562342.db2.gz KGQKRWJDEWDHGU-NVXWUHKLSA-N 2 1 310.507 3.017 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000154847430 432525082 /nfs/dbraw/zinc/52/50/82/432525082.db2.gz DQKIAUWGGPOEPM-FUHWJXTLSA-N 2 1 304.478 3.336 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000154842152 432525230 /nfs/dbraw/zinc/52/52/30/432525230.db2.gz CYURGFDWNIDXSF-AWEZNQCLSA-N 2 1 322.518 3.388 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCOCCc2ccccc2)CC1 ZINC000263677741 432564475 /nfs/dbraw/zinc/56/44/75/432564475.db2.gz IQNTZGJREDTRQH-UHFFFAOYSA-N 2 1 318.505 3.440 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000195133173 432608252 /nfs/dbraw/zinc/60/82/52/432608252.db2.gz JTQNKJKKZFYTGY-PXNSSMCTSA-N 2 1 324.468 3.352 20 0 DGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1Cl ZINC000177298344 432609055 /nfs/dbraw/zinc/60/90/55/432609055.db2.gz SSZIWGLJZNEUFD-HNNXBMFYSA-N 2 1 323.912 3.264 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000273247130 432572838 /nfs/dbraw/zinc/57/28/38/432572838.db2.gz ZRCWIDXRFVUZEQ-LJQANCHMSA-N 2 1 324.403 3.495 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000156220940 432591808 /nfs/dbraw/zinc/59/18/08/432591808.db2.gz ATMXWIKKTOMXHU-NZSAHSFTSA-N 2 1 304.478 3.302 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@H](C)C1 ZINC000186410968 432592981 /nfs/dbraw/zinc/59/29/81/432592981.db2.gz PFYYEVKXACLEHV-RDTXWAMCSA-N 2 1 317.452 3.180 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182366 432640333 /nfs/dbraw/zinc/64/03/33/432640333.db2.gz VNHSXQSFBORTDQ-RDJZCZTQSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158732313 432657933 /nfs/dbraw/zinc/65/79/33/432657933.db2.gz GDJPQDIYRPAOKZ-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000158866290 432660362 /nfs/dbraw/zinc/66/03/62/432660362.db2.gz QMDOFNQNXXLHLH-IBGZPJMESA-N 2 1 321.553 3.449 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000158866290 432660363 /nfs/dbraw/zinc/66/03/63/432660363.db2.gz QMDOFNQNXXLHLH-IBGZPJMESA-N 2 1 321.553 3.449 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000158866290 432660367 /nfs/dbraw/zinc/66/03/67/432660367.db2.gz QMDOFNQNXXLHLH-IBGZPJMESA-N 2 1 321.553 3.449 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000158882839 432661706 /nfs/dbraw/zinc/66/17/06/432661706.db2.gz BANYEWZFZFBNNQ-MSOLQXFVSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158896522 432663503 /nfs/dbraw/zinc/66/35/03/432663503.db2.gz UZSRPVVCTQOHJZ-MSOLQXFVSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158896522 432663505 /nfs/dbraw/zinc/66/35/05/432663505.db2.gz UZSRPVVCTQOHJZ-MSOLQXFVSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158896522 432663509 /nfs/dbraw/zinc/66/35/09/432663509.db2.gz UZSRPVVCTQOHJZ-MSOLQXFVSA-N 2 1 302.462 3.180 20 0 DGADMP CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC)C2)cc1OCC ZINC000177837742 432666013 /nfs/dbraw/zinc/66/60/13/432666013.db2.gz XNCBJOYIUBYDTA-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000221277933 432668264 /nfs/dbraw/zinc/66/82/64/432668264.db2.gz SVHOJSBOZQFQRL-RYUDHWBXSA-N 2 1 302.340 3.188 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274743452 432703360 /nfs/dbraw/zinc/70/33/60/432703360.db2.gz AMJHGJCTUIOIKT-WDSOQIARSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000178260386 432713567 /nfs/dbraw/zinc/71/35/67/432713567.db2.gz FLCYXUFTMNTPGP-HNAYVOBHSA-N 2 1 323.440 3.309 20 0 DGADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000265659441 432720263 /nfs/dbraw/zinc/72/02/63/432720263.db2.gz RBVACKOAOILIPS-HNNXBMFYSA-N 2 1 303.475 3.088 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159171210 432671884 /nfs/dbraw/zinc/67/18/84/432671884.db2.gz GEAYBUNQWNVUDM-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159171210 432671887 /nfs/dbraw/zinc/67/18/87/432671887.db2.gz GEAYBUNQWNVUDM-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccsc1 ZINC000187702169 432677322 /nfs/dbraw/zinc/67/73/22/432677322.db2.gz IQSQTIQTCFHAMH-KRWDZBQOSA-N 2 1 309.523 3.207 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000177978037 432680238 /nfs/dbraw/zinc/68/02/38/432680238.db2.gz GKRFMOCCFVGFMF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274559050 432683185 /nfs/dbraw/zinc/68/31/85/432683185.db2.gz FSDNKLHOYFJXTR-SECBINFHSA-N 2 1 318.368 3.408 20 0 DGADMP C[C@@H](CCc1ccco1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036647 432687820 /nfs/dbraw/zinc/68/78/20/432687820.db2.gz XHVLBQSIHQOGGU-YESZJQIVSA-N 2 1 308.466 3.080 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC000266556170 432764811 /nfs/dbraw/zinc/76/48/11/432764811.db2.gz MBMKJHXFVJAJKC-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC000266556170 432764814 /nfs/dbraw/zinc/76/48/14/432764814.db2.gz MBMKJHXFVJAJKC-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC000266556170 432764817 /nfs/dbraw/zinc/76/48/17/432764817.db2.gz MBMKJHXFVJAJKC-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC000266556168 432765360 /nfs/dbraw/zinc/76/53/60/432765360.db2.gz MBMKJHXFVJAJKC-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC000266556168 432765363 /nfs/dbraw/zinc/76/53/63/432765363.db2.gz MBMKJHXFVJAJKC-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC000266556168 432765368 /nfs/dbraw/zinc/76/53/68/432765368.db2.gz MBMKJHXFVJAJKC-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178700606 432767989 /nfs/dbraw/zinc/76/79/89/432767989.db2.gz YFMXSHKVQTXBMB-LSDHHAIUSA-N 2 1 301.434 3.495 20 0 DGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1SC ZINC000275578000 432731811 /nfs/dbraw/zinc/73/18/11/432731811.db2.gz ITYPSLUNEUNFAO-UKRRQHHQSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1SC ZINC000275578000 432731814 /nfs/dbraw/zinc/73/18/14/432731814.db2.gz ITYPSLUNEUNFAO-UKRRQHHQSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1SC ZINC000275578000 432731818 /nfs/dbraw/zinc/73/18/18/432731818.db2.gz ITYPSLUNEUNFAO-UKRRQHHQSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1SC ZINC000275578000 432731819 /nfs/dbraw/zinc/73/18/19/432731819.db2.gz ITYPSLUNEUNFAO-UKRRQHHQSA-N 2 1 308.491 3.189 20 0 DGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275678991 432739278 /nfs/dbraw/zinc/73/92/78/432739278.db2.gz WETMZMNNUCRMSE-HUUCEWRRSA-N 2 1 301.409 3.196 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000235697718 432744376 /nfs/dbraw/zinc/74/43/76/432744376.db2.gz YTTQYGGZUDLSFJ-JSGCOSHPSA-N 2 1 311.267 3.269 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(C)CC3)CC2)oc1C ZINC000162772400 432834678 /nfs/dbraw/zinc/83/46/78/432834678.db2.gz CNFJEAXXJDTROT-HNNXBMFYSA-N 2 1 305.466 3.282 20 0 DGADMP C[C@@H](Cc1ccsc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162843187 432836049 /nfs/dbraw/zinc/83/60/49/432836049.db2.gz QKKUKSYXVWBBSL-HRCADAONSA-N 2 1 310.507 3.158 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000162885093 432836237 /nfs/dbraw/zinc/83/62/37/432836237.db2.gz ZTNRCWKKRGHCIU-OWCLPIDISA-N 2 1 308.466 3.382 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162860942 432836481 /nfs/dbraw/zinc/83/64/81/432836481.db2.gz DGNJAMORBOWFPB-GBESFXJTSA-N 2 1 318.505 3.405 20 0 DGADMP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788691 432863343 /nfs/dbraw/zinc/86/33/43/432863343.db2.gz ZWQWIULLQJEMKM-OKYOBFRVSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000245908437 432869490 /nfs/dbraw/zinc/86/94/90/432869490.db2.gz FOWFWXNVIHSZSR-YJBOKZPZSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000246038653 432875100 /nfs/dbraw/zinc/87/51/00/432875100.db2.gz NKXRFGNPZXBXQN-VZEFYGNVSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000246038653 432875102 /nfs/dbraw/zinc/87/51/02/432875102.db2.gz NKXRFGNPZXBXQN-VZEFYGNVSA-N 2 1 308.853 3.242 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000246052512 432875115 /nfs/dbraw/zinc/87/51/15/432875115.db2.gz YICJOHJJFTVLKJ-CVEARBPZSA-N 2 1 311.473 3.265 20 0 DGADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000245574200 432846516 /nfs/dbraw/zinc/84/65/16/432846516.db2.gz DGNNXMJLOGIQIT-LTIDMASMSA-N 2 1 320.477 3.028 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245610304 432848606 /nfs/dbraw/zinc/84/86/06/432848606.db2.gz AXBHFEAVSFZELG-DLBZAZTESA-N 2 1 304.478 3.462 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[C@H](C)O ZINC000245671905 432853875 /nfs/dbraw/zinc/85/38/75/432853875.db2.gz HMTBJNNHLPJVNR-LHDHZVESSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccccc32)CCCO1 ZINC000278480199 432895341 /nfs/dbraw/zinc/89/53/41/432895341.db2.gz KMNAEBYPSSGHAG-DOTOQJQBSA-N 2 1 320.502 3.314 20 0 DGADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000277525423 432858112 /nfs/dbraw/zinc/85/81/12/432858112.db2.gz UBJAPDWBCPUBSD-GJZGRUSLSA-N 2 1 303.450 3.127 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245732484 432858876 /nfs/dbraw/zinc/85/88/76/432858876.db2.gz QKUOVHRDXZAMTG-OUUBHVDSSA-N 2 1 314.473 3.075 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCc3cccnc3)CC2)n2c1CCCC2 ZINC000278981527 432923628 /nfs/dbraw/zinc/92/36/28/432923628.db2.gz ZBUUNSZPYRGURP-UHFFFAOYSA-N 2 1 310.445 3.037 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2ccccc2n1 ZINC000279035075 432928266 /nfs/dbraw/zinc/92/82/66/432928266.db2.gz WNIUDPBIBSAECL-GJZGRUSLSA-N 2 1 306.413 3.345 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000289190829 432931292 /nfs/dbraw/zinc/93/12/92/432931292.db2.gz IXZANVMVSFTVPJ-MRXNPFEDSA-N 2 1 306.425 3.284 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000289262673 432939210 /nfs/dbraw/zinc/93/92/10/432939210.db2.gz OKTFFBHLGZGNFD-JXFKEZNVSA-N 2 1 315.505 3.098 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000289307761 432943000 /nfs/dbraw/zinc/94/30/00/432943000.db2.gz STJBFDZLDHWUKO-WBMJQRKESA-N 2 1 317.408 3.252 20 0 DGADMP Cc1cnccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000296457467 432909943 /nfs/dbraw/zinc/90/99/43/432909943.db2.gz OOUUNYLBMOKGJX-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP Cc1ccncc1CCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000289023488 432913150 /nfs/dbraw/zinc/91/31/50/432913150.db2.gz AKZUWOHWSIBHPT-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccn(C)n1 ZINC000349461346 432964941 /nfs/dbraw/zinc/96/49/41/432964941.db2.gz YGQKNGQNNIONBJ-KRWDZBQOSA-N 2 1 300.450 3.113 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccn(C)n1 ZINC000349461346 432964943 /nfs/dbraw/zinc/96/49/43/432964943.db2.gz YGQKNGQNNIONBJ-KRWDZBQOSA-N 2 1 300.450 3.113 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccn(C)n1 ZINC000349461346 432964947 /nfs/dbraw/zinc/96/49/47/432964947.db2.gz YGQKNGQNNIONBJ-KRWDZBQOSA-N 2 1 300.450 3.113 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1ccccc1 ZINC000279734785 432990987 /nfs/dbraw/zinc/99/09/87/432990987.db2.gz WMOJCYWERQUDIN-XWSJACJDSA-N 2 1 302.462 3.105 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H](C)C1 ZINC000332337497 432998558 /nfs/dbraw/zinc/99/85/58/432998558.db2.gz WBDWCYVZHPBYCP-COXVUDFISA-N 2 1 317.477 3.191 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000331714572 432959705 /nfs/dbraw/zinc/95/97/05/432959705.db2.gz MZBUOSMLHIEDRG-AEFFLSMTSA-N 2 1 315.461 3.209 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccc(Cl)cc1 ZINC000297656908 433003196 /nfs/dbraw/zinc/00/31/96/433003196.db2.gz NPTWQADDOCSVNG-CYBMUJFWSA-N 2 1 308.853 3.324 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000280158979 433007345 /nfs/dbraw/zinc/00/73/45/433007345.db2.gz QQCFYOOWGAGHCS-DYESRHJHSA-N 2 1 323.484 3.433 20 0 DGADMP CC(C)[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000280165063 433008132 /nfs/dbraw/zinc/00/81/32/433008132.db2.gz GNSQBWCDLJUBKX-HXUWFJFHSA-N 2 1 318.505 3.205 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290198102 433009854 /nfs/dbraw/zinc/00/98/54/433009854.db2.gz SXKMYYLCSDQTHK-PKOBYXMFSA-N 2 1 314.473 3.155 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1F ZINC000297723118 433010159 /nfs/dbraw/zinc/01/01/59/433010159.db2.gz RYCAFPJSWJHBCQ-INIZCTEOSA-N 2 1 306.425 3.200 20 0 DGADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@H]2CCSC2)CC1 ZINC000290311964 433030221 /nfs/dbraw/zinc/03/02/21/433030221.db2.gz CEXNDRZWDCYVKL-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@H]2CCSC2)CC1 ZINC000290311964 433030223 /nfs/dbraw/zinc/03/02/23/433030223.db2.gz CEXNDRZWDCYVKL-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2CCSCc2ccccc2)C1 ZINC000290324827 433033236 /nfs/dbraw/zinc/03/32/36/433033236.db2.gz DIMUIONSTJWOMQ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324827 433033239 /nfs/dbraw/zinc/03/32/39/433033239.db2.gz DIMUIONSTJWOMQ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324827 433033244 /nfs/dbraw/zinc/03/32/44/433033244.db2.gz DIMUIONSTJWOMQ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000290324827 433033248 /nfs/dbraw/zinc/03/32/48/433033248.db2.gz DIMUIONSTJWOMQ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCSCc2ccccc2)C1 ZINC000290324827 433033251 /nfs/dbraw/zinc/03/32/51/433033251.db2.gz DIMUIONSTJWOMQ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298164226 433051213 /nfs/dbraw/zinc/05/12/13/433051213.db2.gz SULVFHGTPYXGEH-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2ccccc2[nH+]1 ZINC000298088150 433048054 /nfs/dbraw/zinc/04/80/54/433048054.db2.gz IBLUWKISUDSISP-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1cnccc1C ZINC000290436370 433052356 /nfs/dbraw/zinc/05/23/56/433052356.db2.gz LOGGLHPHQHBXPS-UHFFFAOYSA-N 2 1 314.477 3.494 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1cnccc1C ZINC000290436370 433052359 /nfs/dbraw/zinc/05/23/59/433052359.db2.gz LOGGLHPHQHBXPS-UHFFFAOYSA-N 2 1 314.477 3.494 20 0 DGADMP CC(C)(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000341449942 433063273 /nfs/dbraw/zinc/06/32/73/433063273.db2.gz FKJBCZHIDUXWGR-ZWKOTPCHSA-N 2 1 322.468 3.349 20 0 DGADMP c1ccc([C@H]2OCCC[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298338071 433099707 /nfs/dbraw/zinc/09/97/07/433099707.db2.gz JCOBLLNKDRAWLY-YLJYHZDGSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)c1ccccc1OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298269804 433076385 /nfs/dbraw/zinc/07/63/85/433076385.db2.gz GHFKAYBCFWEVRI-UHFFFAOYSA-N 2 1 302.462 3.405 20 0 DGADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000341473330 433080073 /nfs/dbraw/zinc/08/00/73/433080073.db2.gz QDPUKHYSLYONOP-CYBMUJFWSA-N 2 1 305.397 3.470 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000453313507 433080302 /nfs/dbraw/zinc/08/03/02/433080302.db2.gz HVAHINKWXZIQGS-HRQKUVISSA-N 2 1 323.278 3.392 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2CF)CC1 ZINC000354522395 433128656 /nfs/dbraw/zinc/12/86/56/433128656.db2.gz QQZAVJPNIICJIJ-SFHVURJKSA-N 2 1 319.468 3.153 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc2c1 ZINC000290652855 433129963 /nfs/dbraw/zinc/12/99/63/433129963.db2.gz ZEEBDZHYECRLRP-KSSFIOAISA-N 2 1 314.429 3.358 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nccnc1C ZINC000446928809 433133420 /nfs/dbraw/zinc/13/34/20/433133420.db2.gz NAHOUXCAQCPDNT-IKGGRYGDSA-N 2 1 304.482 3.336 20 0 DGADMP CCC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)COC1 ZINC000453386901 433145975 /nfs/dbraw/zinc/14/59/75/433145975.db2.gz VMSHVQJFKDDJNQ-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000373254411 433146513 /nfs/dbraw/zinc/14/65/13/433146513.db2.gz YTOQIHNAKDTVPH-AXDKOMKPSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420297274 433147640 /nfs/dbraw/zinc/14/76/40/433147640.db2.gz YKXRLVIWWZSRPB-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420297274 433147643 /nfs/dbraw/zinc/14/76/43/433147643.db2.gz YKXRLVIWWZSRPB-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC000420293739 433147669 /nfs/dbraw/zinc/14/76/69/433147669.db2.gz AGCIETZWLLYEQH-CRAIPNDOSA-N 2 1 310.441 3.357 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nccc2ccccc21 ZINC000290712409 433149311 /nfs/dbraw/zinc/14/93/11/433149311.db2.gz OAFGTXYBUPRYHO-LSDHHAIUSA-N 2 1 306.413 3.345 20 0 DGADMP Brc1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420298120 433149359 /nfs/dbraw/zinc/14/93/59/433149359.db2.gz GTVXZKREIGSKKA-CYBMUJFWSA-N 2 1 323.278 3.197 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@@H]2C)cc1 ZINC000420293741 433150077 /nfs/dbraw/zinc/15/00/77/433150077.db2.gz AGCIETZWLLYEQH-MAUKXSAKSA-N 2 1 310.441 3.357 20 0 DGADMP COc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000420295348 433150158 /nfs/dbraw/zinc/15/01/58/433150158.db2.gz AAJNXGKXJUEVJD-JKSUJKDBSA-N 2 1 302.462 3.295 20 0 DGADMP COc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000420295347 433150265 /nfs/dbraw/zinc/15/02/65/433150265.db2.gz AAJNXGKXJUEVJD-HZPDHXFCSA-N 2 1 302.462 3.295 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420297279 433151126 /nfs/dbraw/zinc/15/11/26/433151126.db2.gz YKXRLVIWWZSRPB-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420297279 433151134 /nfs/dbraw/zinc/15/11/34/433151134.db2.gz YKXRLVIWWZSRPB-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000420309143 433151976 /nfs/dbraw/zinc/15/19/76/433151976.db2.gz OJDNZCMRZMCHSE-OFQRWUPVSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000420309143 433151982 /nfs/dbraw/zinc/15/19/82/433151982.db2.gz OJDNZCMRZMCHSE-OFQRWUPVSA-N 2 1 308.853 3.296 20 0 DGADMP CCCO[C@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420309935 433152407 /nfs/dbraw/zinc/15/24/07/433152407.db2.gz UKFNZFOVCGLXNK-HKUYNNGSSA-N 2 1 320.477 3.019 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453358323 433117922 /nfs/dbraw/zinc/11/79/22/433117922.db2.gz PUSCFMYSVIGURT-NXEWRWPSSA-N 2 1 316.489 3.443 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000361346732 433120627 /nfs/dbraw/zinc/12/06/27/433120627.db2.gz QEQDWYBXHORPRM-SQGPQFPESA-N 2 1 316.489 3.307 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000420309141 433155482 /nfs/dbraw/zinc/15/54/82/433155482.db2.gz OJDNZCMRZMCHSE-DZKIICNBSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000420309141 433155485 /nfs/dbraw/zinc/15/54/85/433155485.db2.gz OJDNZCMRZMCHSE-DZKIICNBSA-N 2 1 308.853 3.296 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000420318045 433159493 /nfs/dbraw/zinc/15/94/93/433159493.db2.gz VMEPJGPVQNHZKS-ZCNNSNEGSA-N 2 1 316.489 3.228 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000420316725 433160683 /nfs/dbraw/zinc/16/06/83/433160683.db2.gz MFUADCVLGYIHHJ-KGLIPLIRSA-N 2 1 311.495 3.062 20 0 DGADMP CCO[C@H](C)c1nc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000420316725 433160693 /nfs/dbraw/zinc/16/06/93/433160693.db2.gz MFUADCVLGYIHHJ-KGLIPLIRSA-N 2 1 311.495 3.062 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420314544 433161437 /nfs/dbraw/zinc/16/14/37/433161437.db2.gz KINMFVGDYYUNPD-VQIMIIECSA-N 2 1 301.478 3.279 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000420321795 433163714 /nfs/dbraw/zinc/16/37/14/433163714.db2.gz RVNREZAXRHDCAN-DZGCQCFKSA-N 2 1 304.459 3.492 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@H]1SC ZINC000298515283 433164632 /nfs/dbraw/zinc/16/46/32/433164632.db2.gz RDKQYVDVCZLVGU-RCCFBDPRSA-N 2 1 322.518 3.137 20 0 DGADMP CC[C@](C)([NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1)c1nccs1 ZINC000420322124 433165061 /nfs/dbraw/zinc/16/50/61/433165061.db2.gz SGDYMZSPYNVXRE-PBHICJAKSA-N 2 1 319.474 3.109 20 0 DGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000420327277 433166042 /nfs/dbraw/zinc/16/60/42/433166042.db2.gz YJUZHPJHJKNYCK-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H]1C[C@H](CC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@@H](C)C1 ZINC000420330129 433167486 /nfs/dbraw/zinc/16/74/86/433167486.db2.gz PLIDTFUYKVLLME-MLHJIOFPSA-N 2 1 308.510 3.136 20 0 DGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326113 433168129 /nfs/dbraw/zinc/16/81/29/433168129.db2.gz JJVAQFYCBBNFJK-GUYCJALGSA-N 2 1 324.415 3.103 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334436 433170808 /nfs/dbraw/zinc/17/08/08/433170808.db2.gz UKZSUSMFZDGJRG-QZTJIDSGSA-N 2 1 302.462 3.085 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339989 433171144 /nfs/dbraw/zinc/17/11/44/433171144.db2.gz RTDDQVJYYVGXTA-HIFRSBDPSA-N 2 1 305.466 3.497 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338443 433171420 /nfs/dbraw/zinc/17/14/20/433171420.db2.gz XZIRWNNVEHNTPR-KFWWJZLASA-N 2 1 305.466 3.355 20 0 DGADMP CCO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000420339129 433171537 /nfs/dbraw/zinc/17/15/37/433171537.db2.gz QNMRVMKARDNZLJ-CJNGLKHVSA-N 2 1 323.506 3.205 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340288 433172089 /nfs/dbraw/zinc/17/20/89/433172089.db2.gz ZXATWGHCVGBCAH-HIFRSBDPSA-N 2 1 308.853 3.088 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000336659558 433172356 /nfs/dbraw/zinc/17/23/56/433172356.db2.gz YSTGDFJYTKDTIC-OKYOBFRVSA-N 2 1 316.514 3.382 20 0 DGADMP c1csc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420337941 433172649 /nfs/dbraw/zinc/17/26/49/433172649.db2.gz KJMKPVWHLPZCJO-UONOGXRCSA-N 2 1 317.458 3.225 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338441 433172737 /nfs/dbraw/zinc/17/27/37/433172737.db2.gz XZIRWNNVEHNTPR-ILXRZTDVSA-N 2 1 305.466 3.355 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CCC1CC[NH2+]CC1)CCC2 ZINC000420356743 433176936 /nfs/dbraw/zinc/17/69/36/433176936.db2.gz GVTQLRXSIKJLMO-OAHLLOKOSA-N 2 1 307.507 3.404 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722121 433184255 /nfs/dbraw/zinc/18/42/55/433184255.db2.gz VNYTXJXFPXHBTJ-HOCLYGCPSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722121 433184270 /nfs/dbraw/zinc/18/42/70/433184270.db2.gz VNYTXJXFPXHBTJ-HOCLYGCPSA-N 2 1 301.459 3.316 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000420372783 433186452 /nfs/dbraw/zinc/18/64/52/433186452.db2.gz QRJXTLVDLHDVMB-MRXNPFEDSA-N 2 1 323.868 3.166 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)C1CCCCC1 ZINC000420378107 433187429 /nfs/dbraw/zinc/18/74/29/433187429.db2.gz WSSYBOKCOHLRMW-KRWDZBQOSA-N 2 1 301.409 3.371 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000420388742 433190573 /nfs/dbraw/zinc/19/05/73/433190573.db2.gz MMXGGKHEWKDIBH-UHFFFAOYSA-N 2 1 322.250 3.039 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000420388742 433190582 /nfs/dbraw/zinc/19/05/82/433190582.db2.gz MMXGGKHEWKDIBH-UHFFFAOYSA-N 2 1 322.250 3.039 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000420409279 433201072 /nfs/dbraw/zinc/20/10/72/433201072.db2.gz QKHHRSQDXUCQLN-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000420409279 433201080 /nfs/dbraw/zinc/20/10/80/433201080.db2.gz QKHHRSQDXUCQLN-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000374489121 433204665 /nfs/dbraw/zinc/20/46/65/433204665.db2.gz QZTUHCRKVZXSDZ-IBGZPJMESA-N 2 1 301.478 3.211 20 0 DGADMP CCCn1c2ccccc2nc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453591460 433221221 /nfs/dbraw/zinc/22/12/21/433221221.db2.gz CDWBZNVOHNASFN-UHFFFAOYSA-N 2 1 314.477 3.410 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)cc2cccnc21)C1CC1 ZINC000453595691 433225882 /nfs/dbraw/zinc/22/58/82/433225882.db2.gz KMHCQMITEUUHIF-UHFFFAOYSA-N 2 1 301.409 3.338 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Br)cc1)C1CC1 ZINC000453603296 433230533 /nfs/dbraw/zinc/23/05/33/433230533.db2.gz XDSUUXCPAATXFJ-UHFFFAOYSA-N 2 1 311.267 3.413 20 0 DGADMP C[C@H](O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000354852730 433316784 /nfs/dbraw/zinc/31/67/84/433316784.db2.gz ODBAMQFIEZBGIZ-ZIFCJYIRSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000354852730 433316792 /nfs/dbraw/zinc/31/67/92/433316792.db2.gz ODBAMQFIEZBGIZ-ZIFCJYIRSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000354852730 433316801 /nfs/dbraw/zinc/31/68/01/433316801.db2.gz ODBAMQFIEZBGIZ-ZIFCJYIRSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000354852730 433316810 /nfs/dbraw/zinc/31/68/10/433316810.db2.gz ODBAMQFIEZBGIZ-ZIFCJYIRSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000374962074 433318415 /nfs/dbraw/zinc/31/84/15/433318415.db2.gz JOKGYGTVEOFISV-YSTOQKLRSA-N 2 1 321.553 3.161 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000374962072 433319439 /nfs/dbraw/zinc/31/94/39/433319439.db2.gz JOKGYGTVEOFISV-YRPNKDGESA-N 2 1 321.553 3.161 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000350892856 433319732 /nfs/dbraw/zinc/31/97/32/433319732.db2.gz FCTPMUBVPGCBRZ-YZGWKJHDSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000350892856 433319743 /nfs/dbraw/zinc/31/97/43/433319743.db2.gz FCTPMUBVPGCBRZ-YZGWKJHDSA-N 2 1 316.489 3.039 20 0 DGADMP Cc1sccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000350829943 433299593 /nfs/dbraw/zinc/29/95/93/433299593.db2.gz KDUWKGXGUPYYSK-HZPDHXFCSA-N 2 1 321.534 3.047 20 0 DGADMP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420906614 433303255 /nfs/dbraw/zinc/30/32/55/433303255.db2.gz SUCCTNYQENFJHQ-IBGZPJMESA-N 2 1 302.462 3.139 20 0 DGADMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420906614 433303262 /nfs/dbraw/zinc/30/32/62/433303262.db2.gz SUCCTNYQENFJHQ-IBGZPJMESA-N 2 1 302.462 3.139 20 0 DGADMP CC(C)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420902319 433303828 /nfs/dbraw/zinc/30/38/28/433303828.db2.gz MNOXTCWLSVRCFX-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420902319 433303831 /nfs/dbraw/zinc/30/38/31/433303831.db2.gz MNOXTCWLSVRCFX-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420912855 433306150 /nfs/dbraw/zinc/30/61/50/433306150.db2.gz ACQZBFWQXMEGOG-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000420909798 433306457 /nfs/dbraw/zinc/30/64/57/433306457.db2.gz ZHFHNVAKJOVBKD-FQEVSTJZSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000420909798 433306468 /nfs/dbraw/zinc/30/64/68/433306468.db2.gz ZHFHNVAKJOVBKD-FQEVSTJZSA-N 2 1 314.473 3.283 20 0 DGADMP C[C@@H]1CCCCC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420916464 433311872 /nfs/dbraw/zinc/31/18/72/433311872.db2.gz OOSUXPOHBSXIPW-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420971461 433359304 /nfs/dbraw/zinc/35/93/04/433359304.db2.gz KBYUTGNLJPEZTE-INIZCTEOSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420971461 433359316 /nfs/dbraw/zinc/35/93/16/433359316.db2.gz KBYUTGNLJPEZTE-INIZCTEOSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000361732861 433361414 /nfs/dbraw/zinc/36/14/14/433361414.db2.gz ATMXWIKKTOMXHU-UHOSZYNNSA-N 2 1 304.478 3.302 20 0 DGADMP CCc1nc(N2CCC(C[NH+]3CCCCC3)CC2)cc(C)[nH+]1 ZINC000341933525 433363981 /nfs/dbraw/zinc/36/39/81/433363981.db2.gz PDWTUMQKXDCPKL-UHFFFAOYSA-N 2 1 302.466 3.050 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414423 433368740 /nfs/dbraw/zinc/36/87/40/433368740.db2.gz WHLDQUHEVGUIIK-APWZRJJASA-N 2 1 324.472 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414423 433368748 /nfs/dbraw/zinc/36/87/48/433368748.db2.gz WHLDQUHEVGUIIK-APWZRJJASA-N 2 1 324.472 3.149 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000425936231 433376521 /nfs/dbraw/zinc/37/65/21/433376521.db2.gz LQPFKTFKMLTECV-NUJGCVRESA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1)C2 ZINC000425936231 433376528 /nfs/dbraw/zinc/37/65/28/433376528.db2.gz LQPFKTFKMLTECV-NUJGCVRESA-N 2 1 316.489 3.263 20 0 DGADMP CC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000361678687 433337013 /nfs/dbraw/zinc/33/70/13/433337013.db2.gz QFDFEMZEKAHCDD-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)COC1 ZINC000361678687 433337024 /nfs/dbraw/zinc/33/70/24/433337024.db2.gz QFDFEMZEKAHCDD-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)COC1 ZINC000361678687 433337035 /nfs/dbraw/zinc/33/70/35/433337035.db2.gz QFDFEMZEKAHCDD-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CCC2 ZINC000339069210 433340479 /nfs/dbraw/zinc/34/04/79/433340479.db2.gz SAYMWNOXKLCYLT-AZUAARDMSA-N 2 1 316.489 3.055 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000421015844 433385093 /nfs/dbraw/zinc/38/50/93/433385093.db2.gz LFTSPYBMQVTJMQ-ZACQAIPSSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000421015844 433385101 /nfs/dbraw/zinc/38/51/01/433385101.db2.gz LFTSPYBMQVTJMQ-ZACQAIPSSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000421015844 433385108 /nfs/dbraw/zinc/38/51/08/433385108.db2.gz LFTSPYBMQVTJMQ-ZACQAIPSSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029549 433396039 /nfs/dbraw/zinc/39/60/39/433396039.db2.gz VESYYXUIATWFSY-IAGOWNOFSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029549 433396049 /nfs/dbraw/zinc/39/60/49/433396049.db2.gz VESYYXUIATWFSY-IAGOWNOFSA-N 2 1 324.509 3.162 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)[C@@H](C)C1 ZINC000361816333 433402502 /nfs/dbraw/zinc/40/25/02/433402502.db2.gz XVZNMEBSTNUMRG-UONOGXRCSA-N 2 1 310.404 3.056 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CC1(C)C ZINC000414113169 433404571 /nfs/dbraw/zinc/40/45/71/433404571.db2.gz RRBVGLFPGLUNSH-OTWHNJEPSA-N 2 1 316.489 3.168 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000361828758 433407913 /nfs/dbraw/zinc/40/79/13/433407913.db2.gz GVLSGXVSAIGHQP-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000361828758 433407920 /nfs/dbraw/zinc/40/79/20/433407920.db2.gz GVLSGXVSAIGHQP-UHFFFAOYSA-N 3 1 312.461 3.097 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000361828758 433407928 /nfs/dbraw/zinc/40/79/28/433407928.db2.gz GVLSGXVSAIGHQP-UHFFFAOYSA-N 3 1 312.461 3.097 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131512 433417340 /nfs/dbraw/zinc/41/73/40/433417340.db2.gz LAINPJHTXMUFFT-SZMVWBNQSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131512 433417349 /nfs/dbraw/zinc/41/73/49/433417349.db2.gz LAINPJHTXMUFFT-SZMVWBNQSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414134236 433417702 /nfs/dbraw/zinc/41/77/02/433417702.db2.gz NRVCLGYSBPEUCA-NJAFHUGGSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414134236 433417716 /nfs/dbraw/zinc/41/77/16/433417716.db2.gz NRVCLGYSBPEUCA-NJAFHUGGSA-N 2 1 322.880 3.022 20 0 DGADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000339182518 433419374 /nfs/dbraw/zinc/41/93/74/433419374.db2.gz LPMWRLTWLAVUPN-UHFFFAOYSA-N 2 1 301.434 3.367 20 0 DGADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000339182518 433419384 /nfs/dbraw/zinc/41/93/84/433419384.db2.gz LPMWRLTWLAVUPN-UHFFFAOYSA-N 2 1 301.434 3.367 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339181742 433420019 /nfs/dbraw/zinc/42/00/19/433420019.db2.gz DKSVJYKJEBDONN-UHFFFAOYSA-N 2 1 323.912 3.156 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000355030242 433423249 /nfs/dbraw/zinc/42/32/49/433423249.db2.gz KTXOXJYZQLCHMJ-ROUUACIJSA-N 2 1 315.505 3.156 20 0 DGADMP FC1(c2cccnc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000375338711 433433725 /nfs/dbraw/zinc/43/37/25/433433725.db2.gz ZGJKMKDTJKFMLT-UHFFFAOYSA-N 2 1 305.441 3.218 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414169621 433435437 /nfs/dbraw/zinc/43/54/37/433435437.db2.gz BDVRLPMEKXANDY-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000414169766 433435616 /nfs/dbraw/zinc/43/56/16/433435616.db2.gz BMEMBYGCTQMGHD-YJBOKZPZSA-N 2 1 318.461 3.246 20 0 DGADMP C[N@H+]1CCCN(c2ccnc3c(Br)cccc23)CC1 ZINC000301163420 433437724 /nfs/dbraw/zinc/43/77/24/433437724.db2.gz HTZOCHPXVQNJDO-UHFFFAOYSA-N 2 1 320.234 3.139 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887008 433439129 /nfs/dbraw/zinc/43/91/29/433439129.db2.gz BKKQIAPLNOIIAC-CRAIPNDOSA-N 2 1 316.470 3.036 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887008 433439140 /nfs/dbraw/zinc/43/91/40/433439140.db2.gz BKKQIAPLNOIIAC-CRAIPNDOSA-N 2 1 316.470 3.036 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414194003 433453375 /nfs/dbraw/zinc/45/33/75/433453375.db2.gz UGUOERDQTMHFJQ-CJNGLKHVSA-N 2 1 306.425 3.143 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414195918 433454392 /nfs/dbraw/zinc/45/43/92/433454392.db2.gz JMHBKZIUBRCGIS-OJAHFUOMSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342082414 433459545 /nfs/dbraw/zinc/45/95/45/433459545.db2.gz IYZAHEAXSMXTFM-XBVQOTNRSA-N 2 1 311.429 3.462 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@@H]21 ZINC000342096413 433466943 /nfs/dbraw/zinc/46/69/43/433466943.db2.gz ZOSBTZPSBZACJB-UHOFOFEASA-N 2 1 310.894 3.491 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@H]21 ZINC000342100411 433467920 /nfs/dbraw/zinc/46/79/20/433467920.db2.gz KEAYYESLIGELQU-KBRIMQKVSA-N 2 1 315.848 3.447 20 0 DGADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3cc(F)ccc23)C[C@H](C)O1 ZINC000301232825 433464267 /nfs/dbraw/zinc/46/42/67/433464267.db2.gz BMWSIUKLQZDSBC-OKILXGFUSA-N 2 1 317.408 3.285 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CS1 ZINC000414225603 433471443 /nfs/dbraw/zinc/47/14/43/433471443.db2.gz IZPYRNQEQVJSPJ-KBXCAEBGSA-N 2 1 322.493 3.316 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000342114794 433475081 /nfs/dbraw/zinc/47/50/81/433475081.db2.gz WUIMCHYFZHYFIC-QXAKKESOSA-N 2 1 314.473 3.374 20 0 DGADMP C[N@@H+](Cc1ccc(F)cn1)C1CCN(Cc2ccccc2)CC1 ZINC000375481246 433475413 /nfs/dbraw/zinc/47/54/13/433475413.db2.gz FCXQYBUYWOWYQU-UHFFFAOYSA-N 2 1 313.420 3.317 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000375473136 433477304 /nfs/dbraw/zinc/47/73/04/433477304.db2.gz MSGARLQUPVPBLB-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000375472540 433477815 /nfs/dbraw/zinc/47/78/15/433477815.db2.gz KNFRIKHHASHOJI-OAHLLOKOSA-N 2 1 321.490 3.055 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000375472540 433477822 /nfs/dbraw/zinc/47/78/22/433477822.db2.gz KNFRIKHHASHOJI-OAHLLOKOSA-N 2 1 321.490 3.055 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2C)[C@@H](C)C1 ZINC000339267271 433482442 /nfs/dbraw/zinc/48/24/42/433482442.db2.gz ZLOHVBLOSYYHDD-WMLDXEAASA-N 2 1 310.507 3.283 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000246306438 290392196 /nfs/dbraw/zinc/39/21/96/290392196.db2.gz FTZKAROEUKMDKA-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000246306438 290392200 /nfs/dbraw/zinc/39/22/00/290392200.db2.gz FTZKAROEUKMDKA-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000246306438 290392205 /nfs/dbraw/zinc/39/22/05/290392205.db2.gz FTZKAROEUKMDKA-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000246306438 290392208 /nfs/dbraw/zinc/39/22/08/290392208.db2.gz FTZKAROEUKMDKA-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CN(C[C@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472626 433516503 /nfs/dbraw/zinc/51/65/03/433516503.db2.gz BFEPHHIEVVXKRU-NRFANRHFSA-N 2 1 324.468 3.259 20 0 DGADMP CN(C[C@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472626 433516511 /nfs/dbraw/zinc/51/65/11/433516511.db2.gz BFEPHHIEVVXKRU-NRFANRHFSA-N 2 1 324.468 3.259 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@H]12 ZINC000351479244 433520061 /nfs/dbraw/zinc/52/00/61/433520061.db2.gz QWCGHXNRFSOBON-YZGWKJHDSA-N 2 1 310.441 3.278 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@H]12 ZINC000351479243 433521312 /nfs/dbraw/zinc/52/13/12/433521312.db2.gz QWCGHXNRFSOBON-YSIASYRMSA-N 2 1 310.441 3.278 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@H]12 ZINC000351488286 433525319 /nfs/dbraw/zinc/52/53/19/433525319.db2.gz FCFBMUKAVZGDDH-JCGIZDLHSA-N 2 1 309.413 3.043 20 0 DGADMP Cc1ccc(N2CCC([NH2+]CCCc3ccc(C)nc3)CC2)[nH+]c1 ZINC000351496537 433532288 /nfs/dbraw/zinc/53/22/88/433532288.db2.gz XGVDEUWKEUGBKU-UHFFFAOYSA-N 2 1 324.472 3.285 20 0 DGADMP Cc1occc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000414308418 433533862 /nfs/dbraw/zinc/53/38/62/433533862.db2.gz QABZTAYNTXPSIT-HNNXBMFYSA-N 2 1 314.429 3.099 20 0 DGADMP Cc1occc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000414308418 433533868 /nfs/dbraw/zinc/53/38/68/433533868.db2.gz QABZTAYNTXPSIT-HNNXBMFYSA-N 2 1 314.429 3.099 20 0 DGADMP CC[N@H+](CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)C(C)C ZINC000426417873 433492496 /nfs/dbraw/zinc/49/24/96/433492496.db2.gz UOJASHZXGVIMLV-HNNXBMFYSA-N 2 1 308.466 3.042 20 0 DGADMP CC[N@@H+](CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)C(C)C ZINC000426417873 433492502 /nfs/dbraw/zinc/49/25/02/433492502.db2.gz UOJASHZXGVIMLV-HNNXBMFYSA-N 2 1 308.466 3.042 20 0 DGADMP C[N@H+]1CCCC12CCN(C[C@H]1CCC3(CCCCC3)O1)CC2 ZINC000375565467 433496210 /nfs/dbraw/zinc/49/62/10/433496210.db2.gz MIELBGMKMHFHSH-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCC3(CCCCC3)O1)CC2 ZINC000375565467 433496218 /nfs/dbraw/zinc/49/62/18/433496218.db2.gz MIELBGMKMHFHSH-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCC3(CCCCC3)O1)CC2 ZINC000375565467 433496223 /nfs/dbraw/zinc/49/62/23/433496223.db2.gz MIELBGMKMHFHSH-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP C[C@H]1C[C@@H](CO)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000421359645 433498675 /nfs/dbraw/zinc/49/86/75/433498675.db2.gz GLYPPRZSEQILMF-PKOBYXMFSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@H]1C[C@@H](CO)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000421359645 433498681 /nfs/dbraw/zinc/49/86/81/433498681.db2.gz GLYPPRZSEQILMF-PKOBYXMFSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@H]1C[C@@H](CO)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000421359645 433498689 /nfs/dbraw/zinc/49/86/89/433498689.db2.gz GLYPPRZSEQILMF-PKOBYXMFSA-N 2 1 318.505 3.095 20 0 DGADMP Cc1nn(C(C)C)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375618668 433506101 /nfs/dbraw/zinc/50/61/01/433506101.db2.gz AFVVQDQIRPERRA-LPHOPBHVSA-N 2 1 316.493 3.221 20 0 DGADMP CSC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000292511137 433575290 /nfs/dbraw/zinc/57/52/90/433575290.db2.gz VOFLBXCRZPZIFZ-INIZCTEOSA-N 2 1 301.459 3.447 20 0 DGADMP COc1ccc(OCCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000375814866 433577405 /nfs/dbraw/zinc/57/74/05/433577405.db2.gz MLGQQWRAMKJOOO-UHFFFAOYSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccc(OCCC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000375814866 433577408 /nfs/dbraw/zinc/57/74/08/433577408.db2.gz MLGQQWRAMKJOOO-UHFFFAOYSA-N 2 1 318.461 3.024 20 0 DGADMP CCc1nocc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351569525 433584604 /nfs/dbraw/zinc/58/46/04/433584604.db2.gz USRVIXLYWBNOIA-KRWDZBQOSA-N 2 1 313.445 3.191 20 0 DGADMP CC(C)Cc1ccc([C@@H](C[NH2+]Cc2ncc[nH]2)N(C)C)cc1 ZINC000342289591 433586991 /nfs/dbraw/zinc/58/69/91/433586991.db2.gz CQXHCNXGKZYHAR-QGZVFWFLSA-N 2 1 300.450 3.001 20 0 DGADMP C[C@@H](CCc1ccsc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414766 533693338 /nfs/dbraw/zinc/69/33/38/533693338.db2.gz LVKYMERTIZXQBR-HOTGVXAUSA-N 2 1 310.507 3.160 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCO[C@H](CF)C1 ZINC000414477018 433643520 /nfs/dbraw/zinc/64/35/20/433643520.db2.gz LCWHAJIKRILLOO-GOSISDBHSA-N 2 1 322.468 3.205 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCO[C@H](CF)C1 ZINC000414477018 433643527 /nfs/dbraw/zinc/64/35/27/433643527.db2.gz LCWHAJIKRILLOO-GOSISDBHSA-N 2 1 322.468 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCO[C@H](CF)C1 ZINC000414477018 433643533 /nfs/dbraw/zinc/64/35/33/433643533.db2.gz LCWHAJIKRILLOO-GOSISDBHSA-N 2 1 322.468 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCO[C@H](CF)C1 ZINC000414477018 433643541 /nfs/dbraw/zinc/64/35/41/433643541.db2.gz LCWHAJIKRILLOO-GOSISDBHSA-N 2 1 322.468 3.205 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000282516473 433615486 /nfs/dbraw/zinc/61/54/86/433615486.db2.gz ZIQOVJATYUJKJX-LPHOPBHVSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000282516485 433615740 /nfs/dbraw/zinc/61/57/40/433615740.db2.gz ZIQOVJATYUJKJX-VQIMIIECSA-N 2 1 315.505 3.241 20 0 DGADMP CCCCCC(=O)NC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351620696 433619255 /nfs/dbraw/zinc/61/92/55/433619255.db2.gz QRYHINIPMLQGEG-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H](CCc1ccsc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414766 533693331 /nfs/dbraw/zinc/69/33/31/533693331.db2.gz LVKYMERTIZXQBR-HOTGVXAUSA-N 2 1 310.507 3.160 20 0 DGADMP C[C@@H]1CCC[C@@]1(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339564885 433657711 /nfs/dbraw/zinc/65/77/11/433657711.db2.gz UUYBGSHHVWXGBD-YLJYHZDGSA-N 2 1 318.505 3.285 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000351683485 433660726 /nfs/dbraw/zinc/66/07/26/433660726.db2.gz DMOUNWHNWOGJLI-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000351683485 433660737 /nfs/dbraw/zinc/66/07/37/433660737.db2.gz DMOUNWHNWOGJLI-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000301686454 433679070 /nfs/dbraw/zinc/67/90/70/433679070.db2.gz UTAWPPYJFZKLQY-KBPBESRZSA-N 2 1 317.408 3.203 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000374269151 293374413 /nfs/dbraw/zinc/37/44/13/293374413.db2.gz NFVLIPSJIAAVHI-WMZOPIPTSA-N 2 1 318.509 3.171 20 0 DGADMP C[C@@]1(CNCc2ccc(F)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000374278046 293375819 /nfs/dbraw/zinc/37/58/19/293375819.db2.gz DCMPTEGSBHDBKV-IBGZPJMESA-N 2 1 313.420 3.223 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccc(F)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000374278046 293375824 /nfs/dbraw/zinc/37/58/24/293375824.db2.gz DCMPTEGSBHDBKV-IBGZPJMESA-N 2 1 313.420 3.223 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccccc1Cl ZINC000374430361 293399879 /nfs/dbraw/zinc/39/98/79/293399879.db2.gz SHQWTKDBUQUMPR-BPQIPLTHSA-N 2 1 322.880 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccccc1Cl ZINC000374430361 293399881 /nfs/dbraw/zinc/39/98/81/293399881.db2.gz SHQWTKDBUQUMPR-BPQIPLTHSA-N 2 1 322.880 3.066 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449063306 433721235 /nfs/dbraw/zinc/72/12/35/433721235.db2.gz OWFHIMCQJQGDBB-MRXNPFEDSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)(C[NH2+][C@H]1CCc2cccnc2CC1)[NH+]1CCCCC1 ZINC000421802830 433737182 /nfs/dbraw/zinc/73/71/82/433737182.db2.gz OSJBNPWUUZCUME-KRWDZBQOSA-N 2 1 301.478 3.183 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000356865946 433740890 /nfs/dbraw/zinc/74/08/90/433740890.db2.gz MYALATOHEVHJEG-IUODEOHRSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000421820235 433743991 /nfs/dbraw/zinc/74/39/91/433743991.db2.gz LMQUNMQOKJAINH-RYRKJORJSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000421820235 433744000 /nfs/dbraw/zinc/74/40/00/433744000.db2.gz LMQUNMQOKJAINH-RYRKJORJSA-N 2 1 301.478 3.039 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1 ZINC000356893195 433754167 /nfs/dbraw/zinc/75/41/67/433754167.db2.gz INGGCWKGANDQBL-LPHOPBHVSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421827499 433754323 /nfs/dbraw/zinc/75/43/23/433754323.db2.gz XYQMULOPNCASTI-AEFFLSMTSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449584206 433755401 /nfs/dbraw/zinc/75/54/01/433755401.db2.gz CQCAMCVNEXCYSC-FRYIKTPZSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449584206 433755412 /nfs/dbraw/zinc/75/54/12/433755412.db2.gz CQCAMCVNEXCYSC-FRYIKTPZSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000351862476 433759457 /nfs/dbraw/zinc/75/94/57/433759457.db2.gz PJZCAUXNFOFFPL-LPHOPBHVSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2coc3ccccc23)CCCO1 ZINC000432344844 433823087 /nfs/dbraw/zinc/82/30/87/433823087.db2.gz FXLOHCOLLDGXFV-HNNXBMFYSA-N 2 1 302.418 3.023 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000414681674 433788467 /nfs/dbraw/zinc/78/84/67/433788467.db2.gz PRLROFUKUHTCMB-QWHCGFSZSA-N 2 1 316.367 3.405 20 0 DGADMP C[C@H]1C[C@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000414692724 433795417 /nfs/dbraw/zinc/79/54/17/433795417.db2.gz KXTNAQPBVMEVST-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1OC ZINC000449784605 433797732 /nfs/dbraw/zinc/79/77/32/433797732.db2.gz XLODDQSDFHJAOD-OAHLLOKOSA-N 2 1 320.477 3.099 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1OC ZINC000449784605 433797742 /nfs/dbraw/zinc/79/77/42/433797742.db2.gz XLODDQSDFHJAOD-OAHLLOKOSA-N 2 1 320.477 3.099 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC[NH2+]1 ZINC000414715432 433805188 /nfs/dbraw/zinc/80/51/88/433805188.db2.gz YRFBJNAUZNIMCL-RBSFLKMASA-N 2 1 308.853 3.181 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+]1C ZINC000431335395 433808551 /nfs/dbraw/zinc/80/85/51/433808551.db2.gz YTXYMPQNBTXNDB-DKSSEZFCSA-N 2 1 314.473 3.461 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+]1C ZINC000431335395 433808561 /nfs/dbraw/zinc/80/85/61/433808561.db2.gz YTXYMPQNBTXNDB-DKSSEZFCSA-N 2 1 314.473 3.461 20 0 DGADMP Cc1cc(C[N@@H+](C)CCC[NH3+])cc(C)c1OCC(F)(F)F ZINC000414752599 433814550 /nfs/dbraw/zinc/81/45/50/433814550.db2.gz VBAZEIBRYVNQPN-UHFFFAOYSA-N 2 1 304.356 3.025 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)CC[NH2+]1 ZINC000414756622 433816988 /nfs/dbraw/zinc/81/69/88/433816988.db2.gz RGDBVNWEKLPNCT-BASYENTBSA-N 2 1 322.880 3.490 20 0 DGADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]1 ZINC000414758666 433820224 /nfs/dbraw/zinc/82/02/24/433820224.db2.gz VINGFAYOOSFVEF-JZXOWHBKSA-N 2 1 320.452 3.195 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414837277 433875180 /nfs/dbraw/zinc/87/51/80/433875180.db2.gz JJUKFSORSLFLSL-SUMWQHHRSA-N 2 1 321.440 3.040 20 0 DGADMP Brc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414773161 433826704 /nfs/dbraw/zinc/82/67/04/433826704.db2.gz DCDHIJJMJQNVJS-HUUCEWRRSA-N 2 1 323.278 3.271 20 0 DGADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432408517 433827679 /nfs/dbraw/zinc/82/76/79/433827679.db2.gz BROUZPWBMVKHMA-QMTMVMCOSA-N 2 1 320.452 3.150 20 0 DGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432407528 433828080 /nfs/dbraw/zinc/82/80/80/433828080.db2.gz MPEKPPGPETXRCT-IRXDYDNUSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432407528 433828083 /nfs/dbraw/zinc/82/80/83/433828083.db2.gz MPEKPPGPETXRCT-IRXDYDNUSA-N 2 1 322.468 3.237 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000414788989 433834765 /nfs/dbraw/zinc/83/47/65/433834765.db2.gz XQFZNUSRZUVMSY-MSOLQXFVSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1ccc(C[N@@H+](CCOCC[NH3+])CCc2ccccc2)s1 ZINC000357030678 433835888 /nfs/dbraw/zinc/83/58/88/433835888.db2.gz PPHCKQKQMLYXCD-UHFFFAOYSA-N 2 1 318.486 3.077 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1 ZINC000414785632 433836734 /nfs/dbraw/zinc/83/67/34/433836734.db2.gz SWMGHROWAGHHLM-GDBMZVCRSA-N 2 1 322.880 3.131 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414784615 433836969 /nfs/dbraw/zinc/83/69/69/433836969.db2.gz RMWSZUXSUKZUJL-CVEARBPZSA-N 2 1 306.425 3.046 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC12CCOCC2 ZINC000414790625 433839284 /nfs/dbraw/zinc/83/92/84/433839284.db2.gz PVEBWOYLSHBEDC-SFHVURJKSA-N 2 1 310.441 3.027 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796902 433843735 /nfs/dbraw/zinc/84/37/35/433843735.db2.gz XYRATWNIMDUFKA-GOSISDBHSA-N 2 1 316.489 3.171 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344008182 433845184 /nfs/dbraw/zinc/84/51/84/433845184.db2.gz AEGQRDZHCDASLZ-HNNXBMFYSA-N 2 1 311.901 3.216 20 0 DGADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414808152 433848487 /nfs/dbraw/zinc/84/84/87/433848487.db2.gz KJQJAOOSKNODKM-WMZOPIPTSA-N 2 1 303.494 3.147 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293750779 433853654 /nfs/dbraw/zinc/85/36/54/433853654.db2.gz WTWSOPBBFGWJQX-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293750779 433853660 /nfs/dbraw/zinc/85/36/60/433853660.db2.gz WTWSOPBBFGWJQX-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293750779 433853668 /nfs/dbraw/zinc/85/36/68/433853668.db2.gz WTWSOPBBFGWJQX-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293750779 433853676 /nfs/dbraw/zinc/85/36/76/433853676.db2.gz WTWSOPBBFGWJQX-FQEVSTJZSA-N 2 1 324.472 3.303 20 0 DGADMP COc1ccc(Oc2ccc(C[NH2+]CC(C)(C)[NH3+])cc2)cc1 ZINC000414810943 433855083 /nfs/dbraw/zinc/85/50/83/433855083.db2.gz YMLZLKMDZJGXRU-UHFFFAOYSA-N 2 1 300.402 3.314 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000284191383 433855504 /nfs/dbraw/zinc/85/55/04/433855504.db2.gz RQVGOADVMRLFDT-DNVCBOLYSA-N 2 1 302.462 3.480 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000293754392 433855608 /nfs/dbraw/zinc/85/56/08/433855608.db2.gz YKTUHIFZRMGPFN-PMACEKPBSA-N 2 1 314.473 3.232 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000377331469 433856379 /nfs/dbraw/zinc/85/63/79/433856379.db2.gz TUMCHUKIDXXNHX-OALUTQOASA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000377331469 433856393 /nfs/dbraw/zinc/85/63/93/433856393.db2.gz TUMCHUKIDXXNHX-OALUTQOASA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000377331469 433856397 /nfs/dbraw/zinc/85/63/97/433856397.db2.gz TUMCHUKIDXXNHX-OALUTQOASA-N 2 1 307.441 3.036 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414818563 433857424 /nfs/dbraw/zinc/85/74/24/433857424.db2.gz WCKFMUQYPCOBIL-WFASDCNBSA-N 2 1 311.857 3.164 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414815015 433858832 /nfs/dbraw/zinc/85/88/32/433858832.db2.gz OWOIVFTYGOOXLB-ZDUSSCGKSA-N 2 1 304.356 3.235 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000414819062 433859235 /nfs/dbraw/zinc/85/92/35/433859235.db2.gz XQSROTGZWRALIJ-GDBMZVCRSA-N 2 1 305.466 3.073 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000284234904 433864769 /nfs/dbraw/zinc/86/47/69/433864769.db2.gz HVWLWMNDPQNSTM-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)o2)cc1 ZINC000422634192 433935130 /nfs/dbraw/zinc/93/51/30/433935130.db2.gz JMAABBFKBZPGDG-ZOBUZTSGSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)o2)cc1 ZINC000422634192 433935140 /nfs/dbraw/zinc/93/51/40/433935140.db2.gz JMAABBFKBZPGDG-ZOBUZTSGSA-N 2 1 313.445 3.455 20 0 DGADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414878015 433900378 /nfs/dbraw/zinc/90/03/78/433900378.db2.gz YWICBZXQCLNILE-NSHDSACASA-N 2 1 317.246 3.108 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cn1 ZINC000414939106 433924859 /nfs/dbraw/zinc/92/48/59/433924859.db2.gz JEUUBVKPHRROCH-UHFFFAOYSA-N 2 1 310.445 3.081 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC000377615636 433929838 /nfs/dbraw/zinc/92/98/38/433929838.db2.gz MYKFJHMYKJSBQA-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000414948876 433932811 /nfs/dbraw/zinc/93/28/11/433932811.db2.gz YKXGTHGJYPMGFT-LBPRGKRZSA-N 2 1 322.811 3.495 20 0 DGADMP Clc1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414850223 433883030 /nfs/dbraw/zinc/88/30/30/433883030.db2.gz IBHOYQOWTDKHPT-AWEZNQCLSA-N 2 1 308.853 3.218 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855356 433887782 /nfs/dbraw/zinc/88/77/82/433887782.db2.gz WVPLIHJWQBBPDI-IFXJQAMLSA-N 2 1 314.477 3.381 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000414860444 433891903 /nfs/dbraw/zinc/89/19/03/433891903.db2.gz VLDIJHPTFKFXQJ-QWRGUYRKSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000422711024 433944052 /nfs/dbraw/zinc/94/40/52/433944052.db2.gz MPZIZCRSYZTRFQ-MNEFBYGVSA-N 2 1 321.484 3.329 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+]CCCn1cc[nH+]c1C ZINC000352158989 433945837 /nfs/dbraw/zinc/94/58/37/433945837.db2.gz QHWJTFWXBYHBIP-SSZFMOIBSA-N 2 1 313.445 3.421 20 0 DGADMP C[N@@H+](CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000303549634 433947190 /nfs/dbraw/zinc/94/71/90/433947190.db2.gz DVFXPPALGADMIJ-UXHICEINSA-N 2 1 309.457 3.243 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000414972167 433948938 /nfs/dbraw/zinc/94/89/38/433948938.db2.gz ACPQUBUWBRZLND-CQSZACIVSA-N 2 1 320.458 3.163 20 0 DGADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171993 433952901 /nfs/dbraw/zinc/95/29/01/433952901.db2.gz DXXBJZJLVAGHDK-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000414980484 433953966 /nfs/dbraw/zinc/95/39/66/433953966.db2.gz ACTHUIKMDHPNQA-HNNXBMFYSA-N 2 1 300.402 3.314 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)c2ccccc21 ZINC000422728095 433954535 /nfs/dbraw/zinc/95/45/35/433954535.db2.gz FBOFTQKOKXXFLS-PMACEKPBSA-N 2 1 318.424 3.166 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340172528 433955080 /nfs/dbraw/zinc/95/50/80/433955080.db2.gz BFNLMYSIARBUAJ-OALUTQOASA-N 2 1 312.461 3.076 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340172528 433955087 /nfs/dbraw/zinc/95/50/87/433955087.db2.gz BFNLMYSIARBUAJ-OALUTQOASA-N 2 1 312.461 3.076 20 0 DGADMP C[N@@H+](CCSCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285459751 433959362 /nfs/dbraw/zinc/95/93/62/433959362.db2.gz JQQUFLDUCQQSPB-JWTNVVGKSA-N 2 1 304.503 3.477 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340175148 433959628 /nfs/dbraw/zinc/95/96/28/433959628.db2.gz JNVAUTZQYAZOJG-HQRMLTQVSA-N 2 1 324.472 3.223 20 0 DGADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340175148 433959637 /nfs/dbraw/zinc/95/96/37/433959637.db2.gz JNVAUTZQYAZOJG-HQRMLTQVSA-N 2 1 324.472 3.223 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340174443 433960020 /nfs/dbraw/zinc/96/00/20/433960020.db2.gz UVHGLXSLDUVESU-SJLPKXTDSA-N 2 1 315.486 3.419 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340174443 433960031 /nfs/dbraw/zinc/96/00/31/433960031.db2.gz UVHGLXSLDUVESU-SJLPKXTDSA-N 2 1 315.486 3.419 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000422740649 433967383 /nfs/dbraw/zinc/96/73/83/433967383.db2.gz NYGFJJHNRPPDQQ-LNLFQRSKSA-N 2 1 303.494 3.175 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067828 433975628 /nfs/dbraw/zinc/97/56/28/433975628.db2.gz PYHLANZSZOCYKZ-LSTHTHJFSA-N 2 1 315.505 3.147 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422752707 433978146 /nfs/dbraw/zinc/97/81/46/433978146.db2.gz FFGQWBCWLMAPQE-CABCVRRESA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422752707 433978149 /nfs/dbraw/zinc/97/81/49/433978149.db2.gz FFGQWBCWLMAPQE-CABCVRRESA-N 2 1 318.509 3.010 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000415136025 433979455 /nfs/dbraw/zinc/97/94/55/433979455.db2.gz WZIISIRWQUAHRB-WFASDCNBSA-N 2 1 303.837 3.305 20 0 DGADMP CCC[N@@H+](C)[C@H](CNC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000285519862 433981894 /nfs/dbraw/zinc/98/18/94/433981894.db2.gz KHSOJWNUFQYNCU-GOSISDBHSA-N 2 1 323.912 3.407 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC000340207731 433983750 /nfs/dbraw/zinc/98/37/50/433983750.db2.gz JFXDSBNXEMMQCH-KVPLUYHFSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000377756460 433983741 /nfs/dbraw/zinc/98/37/41/433983741.db2.gz AWAWHUXQLPPEIL-IPMKNSEASA-N 2 1 324.472 3.108 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000377756460 433983749 /nfs/dbraw/zinc/98/37/49/433983749.db2.gz AWAWHUXQLPPEIL-IPMKNSEASA-N 2 1 324.472 3.108 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422767596 433985529 /nfs/dbraw/zinc/98/55/29/433985529.db2.gz SZFFSYYJZCNTHR-JMSVASOKSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773979 433987244 /nfs/dbraw/zinc/98/72/44/433987244.db2.gz ZNNDHSRXCVYQML-CXAGYDPISA-N 2 1 320.383 3.336 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000422792847 434004062 /nfs/dbraw/zinc/00/40/62/434004062.db2.gz ZRDSRAKOLSMICL-ICBNADEASA-N 2 1 314.473 3.273 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422791291 434007345 /nfs/dbraw/zinc/00/73/45/434007345.db2.gz QDWYKRGVQUUQHT-YOFSQIOKSA-N 2 1 313.489 3.045 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796754 434008210 /nfs/dbraw/zinc/00/82/10/434008210.db2.gz YYTRHOWZLIDUOG-PMACEKPBSA-N 3 1 315.505 3.422 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000340262400 434018682 /nfs/dbraw/zinc/01/86/82/434018682.db2.gz YNDLQQWAHUAZGP-HYJFEMIMSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262400 434018691 /nfs/dbraw/zinc/01/86/91/434018691.db2.gz YNDLQQWAHUAZGP-HYJFEMIMSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[NH+]1C1CC1 ZINC000340262400 434018703 /nfs/dbraw/zinc/01/87/03/434018703.db2.gz YNDLQQWAHUAZGP-HYJFEMIMSA-N 2 1 313.489 3.037 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422806695 434020027 /nfs/dbraw/zinc/02/00/27/434020027.db2.gz LANVNADORMWOHP-YSHGAJCASA-N 2 1 302.462 3.050 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809421 434021465 /nfs/dbraw/zinc/02/14/65/434021465.db2.gz PRIFTWOUGLZEEK-QFBILLFUSA-N 2 1 303.494 3.149 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422806650 434022377 /nfs/dbraw/zinc/02/23/77/434022377.db2.gz IRWJZAOQTQJOHP-HZMBPMFUSA-N 2 1 315.230 3.066 20 0 DGADMP C[N@@H+](CCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285637033 434023233 /nfs/dbraw/zinc/02/32/33/434023233.db2.gz XMZAUOZDJNDDAB-SJPCQFCGSA-N 2 1 306.425 3.152 20 0 DGADMP C[NH+](CCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285637033 434023246 /nfs/dbraw/zinc/02/32/46/434023246.db2.gz XMZAUOZDJNDDAB-SJPCQFCGSA-N 2 1 306.425 3.152 20 0 DGADMP C[NH+](CCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285637033 434023255 /nfs/dbraw/zinc/02/32/55/434023255.db2.gz XMZAUOZDJNDDAB-SJPCQFCGSA-N 2 1 306.425 3.152 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266669 434024262 /nfs/dbraw/zinc/02/42/62/434024262.db2.gz VGOXBRFRFBAGTG-SNRMKQJTSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266669 434024273 /nfs/dbraw/zinc/02/42/73/434024273.db2.gz VGOXBRFRFBAGTG-SNRMKQJTSA-N 2 1 302.462 3.227 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000377882226 434030784 /nfs/dbraw/zinc/03/07/84/434030784.db2.gz DKVLSYSOVUDTKF-SFHVURJKSA-N 2 1 318.509 3.074 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000352301159 434034937 /nfs/dbraw/zinc/03/49/37/434034937.db2.gz HRDOEOSXAMCCOF-XMTFNYHQSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000352301159 434034949 /nfs/dbraw/zinc/03/49/49/434034949.db2.gz HRDOEOSXAMCCOF-XMTFNYHQSA-N 2 1 306.494 3.044 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831697 434036386 /nfs/dbraw/zinc/03/63/86/434036386.db2.gz TXXHOMJTGDGRJF-QZTJIDSGSA-N 2 1 320.440 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1c[nH+]ccc1N ZINC000422829852 434036617 /nfs/dbraw/zinc/03/66/17/434036617.db2.gz CCCCHOHQFXVQEM-GXTWGEPZSA-N 2 1 316.836 3.077 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422831999 434037375 /nfs/dbraw/zinc/03/73/75/434037375.db2.gz UFPPWOOTFJRUHR-HOTGVXAUSA-N 2 1 306.450 3.234 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C[C@H]1c1ccccc1 ZINC000340287290 434038134 /nfs/dbraw/zinc/03/81/34/434038134.db2.gz ZIOQCASFGJTQBM-MSOLQXFVSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C[C@H]1c1ccccc1 ZINC000340287290 434038143 /nfs/dbraw/zinc/03/81/43/434038143.db2.gz ZIOQCASFGJTQBM-MSOLQXFVSA-N 2 1 304.478 3.210 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000422839537 434041011 /nfs/dbraw/zinc/04/10/11/434041011.db2.gz QLYQUQHTMSIAEW-AQFXKWCLSA-N 3 1 321.534 3.067 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000422839537 434041025 /nfs/dbraw/zinc/04/10/25/434041025.db2.gz QLYQUQHTMSIAEW-AQFXKWCLSA-N 3 1 321.534 3.067 20 0 DGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401750309 293868833 /nfs/dbraw/zinc/86/88/33/293868833.db2.gz XHSXGLSRQIAERG-NSHDSACASA-N 2 1 306.479 3.376 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000363402907 434042684 /nfs/dbraw/zinc/04/26/84/434042684.db2.gz SFRAYGMGOIFXCU-UHFFFAOYSA-N 2 1 304.482 3.037 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340221324 433993969 /nfs/dbraw/zinc/99/39/69/433993969.db2.gz HZENGSURYOPSSS-OALUTQOASA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340221324 433993977 /nfs/dbraw/zinc/99/39/77/433993977.db2.gz HZENGSURYOPSSS-OALUTQOASA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340221324 433993983 /nfs/dbraw/zinc/99/39/83/433993983.db2.gz HZENGSURYOPSSS-OALUTQOASA-N 2 1 303.494 3.142 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422866682 434064119 /nfs/dbraw/zinc/06/41/19/434064119.db2.gz QRNQBKVNSGXATD-VQTJNVASSA-N 2 1 310.441 3.373 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[NH2+]1 ZINC000414961381 293895484 /nfs/dbraw/zinc/89/54/84/293895484.db2.gz ZAISJDSXBUAATI-KOLCDFICSA-N 2 1 317.658 3.333 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422866926 434065467 /nfs/dbraw/zinc/06/54/67/434065467.db2.gz RDPQXWZUGWSOHQ-VQTJNVASSA-N 2 1 310.441 3.373 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422869747 434066267 /nfs/dbraw/zinc/06/62/67/434066267.db2.gz XWTYLLAUCIPSFH-GVDBMIGSSA-N 3 1 303.494 3.276 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422868819 434068637 /nfs/dbraw/zinc/06/86/37/434068637.db2.gz WEVFABLDKYQSHN-SJORKVTESA-N 3 1 303.494 3.136 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422875387 434073995 /nfs/dbraw/zinc/07/39/95/434073995.db2.gz FCJDSCIKQWLSBC-HZPDHXFCSA-N 3 1 318.509 3.011 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422880789 434075436 /nfs/dbraw/zinc/07/54/36/434075436.db2.gz MURKIPRRVAWYRN-LZQZEXGQSA-N 2 1 301.478 3.030 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422878771 434077677 /nfs/dbraw/zinc/07/76/77/434077677.db2.gz JWGFCOBZCRUTAX-ACZWYYKOSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422878771 434077685 /nfs/dbraw/zinc/07/76/85/434077685.db2.gz JWGFCOBZCRUTAX-ACZWYYKOSA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422878771 434077695 /nfs/dbraw/zinc/07/76/95/434077695.db2.gz JWGFCOBZCRUTAX-ACZWYYKOSA-N 3 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000422878771 434077699 /nfs/dbraw/zinc/07/76/99/434077699.db2.gz JWGFCOBZCRUTAX-ACZWYYKOSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000422878771 434077709 /nfs/dbraw/zinc/07/77/09/434077709.db2.gz JWGFCOBZCRUTAX-ACZWYYKOSA-N 2 1 315.505 3.479 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422883998 434081595 /nfs/dbraw/zinc/08/15/95/434081595.db2.gz RCMYRLUYAAGQCE-ULQDDVLXSA-N 3 1 303.494 3.276 20 0 DGADMP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360805 434088156 /nfs/dbraw/zinc/08/81/56/434088156.db2.gz UXIIOUWKYBBCMO-WOJBJXKFSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360805 434088165 /nfs/dbraw/zinc/08/81/65/434088165.db2.gz UXIIOUWKYBBCMO-WOJBJXKFSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360805 434088176 /nfs/dbraw/zinc/08/81/76/434088176.db2.gz UXIIOUWKYBBCMO-WOJBJXKFSA-N 2 1 313.489 3.064 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340361724 434089908 /nfs/dbraw/zinc/08/99/08/434089908.db2.gz ULIRSGRRVNAGLE-RCCFBDPRSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340361724 434089917 /nfs/dbraw/zinc/08/99/17/434089917.db2.gz ULIRSGRRVNAGLE-RCCFBDPRSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340379534 434096114 /nfs/dbraw/zinc/09/61/14/434096114.db2.gz WCVZGNLTHBHUGW-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340379534 434096126 /nfs/dbraw/zinc/09/61/26/434096126.db2.gz WCVZGNLTHBHUGW-PMACEKPBSA-N 2 1 309.457 3.358 20 0 DGADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422903093 434096437 /nfs/dbraw/zinc/09/64/37/434096437.db2.gz OCCSACUWUBVZMO-INIZCTEOSA-N 3 1 324.472 3.057 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840159 434048140 /nfs/dbraw/zinc/04/81/40/434048140.db2.gz SCXQZBPNHAVDCV-KBAYOESNSA-N 2 1 321.534 3.210 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340307453 434049732 /nfs/dbraw/zinc/04/97/32/434049732.db2.gz BKOCNIGPYRWDEC-OKZBNKHCSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340307453 434049745 /nfs/dbraw/zinc/04/97/45/434049745.db2.gz BKOCNIGPYRWDEC-OKZBNKHCSA-N 2 1 304.478 3.209 20 0 DGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@H+](C4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422857644 434054734 /nfs/dbraw/zinc/05/47/34/434054734.db2.gz HHIVSQOZHGUIRC-GGPKGHCWSA-N 2 1 313.489 3.086 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422855100 434054994 /nfs/dbraw/zinc/05/49/94/434054994.db2.gz DMKIJUQGJFOZQR-IRXDYDNUSA-N 3 1 303.494 3.278 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858103 434058550 /nfs/dbraw/zinc/05/85/50/434058550.db2.gz IJPIRQJFLREKFZ-VQIMIIECSA-N 2 1 303.494 3.147 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422863108 434060627 /nfs/dbraw/zinc/06/06/27/434060627.db2.gz QZTOZSQYWZVBKK-OAHLLOKOSA-N 2 1 313.445 3.422 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422907704 434102255 /nfs/dbraw/zinc/10/22/55/434102255.db2.gz CBUMYWCMIXCIFG-RTBURBONSA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422907704 434102264 /nfs/dbraw/zinc/10/22/64/434102264.db2.gz CBUMYWCMIXCIFG-RTBURBONSA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422907704 434102268 /nfs/dbraw/zinc/10/22/68/434102268.db2.gz CBUMYWCMIXCIFG-RTBURBONSA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000422908691 434103062 /nfs/dbraw/zinc/10/30/62/434103062.db2.gz YZQWQMBITWZMGT-NSHDSACASA-N 2 1 316.367 3.190 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000353392646 434104023 /nfs/dbraw/zinc/10/40/23/434104023.db2.gz GYETXQOXQXPFAZ-GFCCVEGCSA-N 2 1 324.490 3.448 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1Cl ZINC000422918418 434106916 /nfs/dbraw/zinc/10/69/16/434106916.db2.gz HZHCQLXONDVIEC-VXGBXAGGSA-N 2 1 305.809 3.266 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(Cl)c1 ZINC000422926070 434111049 /nfs/dbraw/zinc/11/10/49/434111049.db2.gz WCSZYXCSVWQWOJ-VXGBXAGGSA-N 2 1 305.809 3.266 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000422925989 434111290 /nfs/dbraw/zinc/11/12/90/434111290.db2.gz CEMIUZUEUUFVOR-AEFFLSMTSA-N 2 1 314.404 3.417 20 0 DGADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1cccc(Cl)c1 ZINC000422921296 434113798 /nfs/dbraw/zinc/11/37/98/434113798.db2.gz PMQIEBNOWLGTQR-BDJLRTHQSA-N 2 1 305.809 3.186 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(Br)c1)C2 ZINC000310736811 434114210 /nfs/dbraw/zinc/11/42/10/434114210.db2.gz GSLPVSDCHNVMBG-ZFWWWQNUSA-N 2 1 309.251 3.010 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(Br)c1)C2 ZINC000310736811 434114221 /nfs/dbraw/zinc/11/42/21/434114221.db2.gz GSLPVSDCHNVMBG-ZFWWWQNUSA-N 2 1 309.251 3.010 20 0 DGADMP Cc1sc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422928861 434116741 /nfs/dbraw/zinc/11/67/41/434116741.db2.gz NAIPZBJADOCKJZ-CJNGLKHVSA-N 2 1 315.486 3.391 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000353413039 434117559 /nfs/dbraw/zinc/11/75/59/434117559.db2.gz NZIFPYDKRUXVOX-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000502868584 294178138 /nfs/dbraw/zinc/17/81/38/294178138.db2.gz IXWKVYJYYIHCQJ-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000502868584 294178139 /nfs/dbraw/zinc/17/81/39/294178139.db2.gz IXWKVYJYYIHCQJ-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000502868584 294178141 /nfs/dbraw/zinc/17/81/41/294178141.db2.gz IXWKVYJYYIHCQJ-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc2c(c1)OCCO2 ZINC000422951342 434131910 /nfs/dbraw/zinc/13/19/10/434131910.db2.gz YEHGNSQTGRTFAD-BLLLJJGKSA-N 2 1 313.401 3.067 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507479972 294300703 /nfs/dbraw/zinc/30/07/03/294300703.db2.gz AAQYSDRLOYCGHA-NMLBUPMWSA-N 2 1 316.489 3.038 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000285995049 434130187 /nfs/dbraw/zinc/13/01/87/434130187.db2.gz IHUROQINHWUKNO-GFCCVEGCSA-N 2 1 321.446 3.171 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508697691 294330869 /nfs/dbraw/zinc/33/08/69/294330869.db2.gz MSVOADYUKIKLIJ-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508697691 294330870 /nfs/dbraw/zinc/33/08/70/294330870.db2.gz MSVOADYUKIKLIJ-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP CCCC[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508697691 294330871 /nfs/dbraw/zinc/33/08/71/294330871.db2.gz MSVOADYUKIKLIJ-AZUAARDMSA-N 2 1 317.521 3.219 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284928816 294333307 /nfs/dbraw/zinc/33/33/07/294333307.db2.gz DJQSLLLEZWVASL-HEZAVNPASA-N 2 1 304.478 3.443 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000509924665 294368391 /nfs/dbraw/zinc/36/83/91/294368391.db2.gz COFMBEAUTZAIGV-BBVSWNNQSA-N 2 1 314.473 3.453 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000509924665 294368394 /nfs/dbraw/zinc/36/83/94/294368394.db2.gz COFMBEAUTZAIGV-BBVSWNNQSA-N 2 1 314.473 3.453 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950972 434132332 /nfs/dbraw/zinc/13/23/32/434132332.db2.gz ZGWKEUKFSZZKGY-GUYCJALGSA-N 2 1 320.383 3.336 20 0 DGADMP COC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301642 434132961 /nfs/dbraw/zinc/13/29/61/434132961.db2.gz NRUXBRFBQDPGBM-KRWDZBQOSA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc2c(c1)OCCO2 ZINC000422951345 434133734 /nfs/dbraw/zinc/13/37/34/434133734.db2.gz YEHGNSQTGRTFAD-WBMJQRKESA-N 2 1 313.401 3.067 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340443617 434135638 /nfs/dbraw/zinc/13/56/38/434135638.db2.gz YNZXMYCAXXDFKQ-VQIMIIECSA-N 2 1 313.445 3.471 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450233 434139939 /nfs/dbraw/zinc/13/99/39/434139939.db2.gz PWHMFFBABBCFSM-WBAXXEDZSA-N 2 1 311.429 3.273 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450233 434139948 /nfs/dbraw/zinc/13/99/48/434139948.db2.gz PWHMFFBABBCFSM-WBAXXEDZSA-N 2 1 311.429 3.273 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000286019629 434141623 /nfs/dbraw/zinc/14/16/23/434141623.db2.gz JQBJOPZBQASUSN-VXGBXAGGSA-N 2 1 321.446 3.027 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422961834 434142584 /nfs/dbraw/zinc/14/25/84/434142584.db2.gz BDYXULCFWDAMIE-NHCUHLMSSA-N 2 1 323.484 3.385 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422961834 434142595 /nfs/dbraw/zinc/14/25/95/434142595.db2.gz BDYXULCFWDAMIE-NHCUHLMSSA-N 2 1 323.484 3.385 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000422977747 434150301 /nfs/dbraw/zinc/15/03/01/434150301.db2.gz XOHFMDWGQMQXDU-RDJZCZTQSA-N 2 1 305.466 3.269 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000340478002 434154765 /nfs/dbraw/zinc/15/47/65/434154765.db2.gz ZSIUJMFNBZAYIN-GOSISDBHSA-N 2 1 302.462 3.481 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCO1 ZINC000422985037 434155022 /nfs/dbraw/zinc/15/50/22/434155022.db2.gz BUKLBCBWQXCPDV-YRXWBPOGSA-N 2 1 302.462 3.273 20 0 DGADMP CCc1ccc([C@H](CO)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000422997153 434159049 /nfs/dbraw/zinc/15/90/49/434159049.db2.gz AQUWJFKQHLKMJM-LZQZEXGQSA-N 2 1 304.478 3.183 20 0 DGADMP COC(=O)c1csc([C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096133 434161564 /nfs/dbraw/zinc/16/15/64/434161564.db2.gz MYWAWZXUKLJGKR-KGLIPLIRSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000286096133 434161573 /nfs/dbraw/zinc/16/15/73/434161573.db2.gz MYWAWZXUKLJGKR-KGLIPLIRSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096133 434161580 /nfs/dbraw/zinc/16/15/80/434161580.db2.gz MYWAWZXUKLJGKR-KGLIPLIRSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096126 434162311 /nfs/dbraw/zinc/16/23/11/434162311.db2.gz MYWAWZXUKLJGKR-KBPBESRZSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000286096126 434162323 /nfs/dbraw/zinc/16/23/23/434162323.db2.gz MYWAWZXUKLJGKR-KBPBESRZSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096126 434162329 /nfs/dbraw/zinc/16/23/29/434162329.db2.gz MYWAWZXUKLJGKR-KBPBESRZSA-N 2 1 324.490 3.306 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005118 434162503 /nfs/dbraw/zinc/16/25/03/434162503.db2.gz QUNXVRQQXDLUJU-BTHPGYMESA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002584 434163636 /nfs/dbraw/zinc/16/36/36/434163636.db2.gz JQDJGOJLAMJXBA-QWFCFKBJSA-N 3 1 317.521 3.394 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(-c2ccccc2)n1 ZINC000423028532 434171662 /nfs/dbraw/zinc/17/16/62/434171662.db2.gz GOVSHNHGRZKSQN-RBUKOAKNSA-N 2 1 318.424 3.322 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000423034383 434178216 /nfs/dbraw/zinc/17/82/16/434178216.db2.gz PRYDBQKZPGBFRL-NCXUSEDFSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423031035 434178876 /nfs/dbraw/zinc/17/88/76/434178876.db2.gz CTGWFMVIPQSLPI-PNPHSEOMSA-N 2 1 315.392 3.204 20 0 DGADMP CCc1nocc1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000353502833 434182945 /nfs/dbraw/zinc/18/29/45/434182945.db2.gz LZAFTMMYMNWVBG-UHFFFAOYSA-N 2 1 301.434 3.321 20 0 DGADMP CCc1nocc1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000353502833 434182976 /nfs/dbraw/zinc/18/29/76/434182976.db2.gz LZAFTMMYMNWVBG-UHFFFAOYSA-N 2 1 301.434 3.321 20 0 DGADMP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423038908 434184519 /nfs/dbraw/zinc/18/45/19/434184519.db2.gz DMYFITZHWLDCFF-PYXOFJJQSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423038908 434184528 /nfs/dbraw/zinc/18/45/28/434184528.db2.gz DMYFITZHWLDCFF-PYXOFJJQSA-N 2 1 315.505 3.004 20 0 DGADMP CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000295079407 434186174 /nfs/dbraw/zinc/18/61/74/434186174.db2.gz RAXMYQWNANXFJC-QRQLOZEOSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000295079407 434186180 /nfs/dbraw/zinc/18/61/80/434186180.db2.gz RAXMYQWNANXFJC-QRQLOZEOSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295079407 434186186 /nfs/dbraw/zinc/18/61/86/434186186.db2.gz RAXMYQWNANXFJC-QRQLOZEOSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295079407 434186193 /nfs/dbraw/zinc/18/61/93/434186193.db2.gz RAXMYQWNANXFJC-QRQLOZEOSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423046540 434187884 /nfs/dbraw/zinc/18/78/84/434187884.db2.gz FNSAEJIUFAXPIL-YWPYICTPSA-N 2 1 317.399 3.024 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000286178945 434187941 /nfs/dbraw/zinc/18/79/41/434187941.db2.gz QTRYZWSVSBTYCK-CTWPCTMYSA-N 2 1 318.505 3.426 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423052793 434191306 /nfs/dbraw/zinc/19/13/06/434191306.db2.gz RESGJKWZKRKLLN-OALUTQOASA-N 2 1 314.404 3.374 20 0 DGADMP CCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450452571 434192861 /nfs/dbraw/zinc/19/28/61/434192861.db2.gz KBYWNFKTBGMYAT-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450452571 434192868 /nfs/dbraw/zinc/19/28/68/434192868.db2.gz KBYWNFKTBGMYAT-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450452571 434192880 /nfs/dbraw/zinc/19/28/80/434192880.db2.gz KBYWNFKTBGMYAT-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286219823 434200021 /nfs/dbraw/zinc/20/00/21/434200021.db2.gz SHVSDSMRTHVFCV-QHGAOEGBSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H](CCN(C)C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286219823 434200034 /nfs/dbraw/zinc/20/00/34/434200034.db2.gz SHVSDSMRTHVFCV-QHGAOEGBSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H](CCN(C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286219823 434200038 /nfs/dbraw/zinc/20/00/38/434200038.db2.gz SHVSDSMRTHVFCV-QHGAOEGBSA-N 2 1 317.521 3.359 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1Br ZINC000423071124 434201072 /nfs/dbraw/zinc/20/10/72/434201072.db2.gz OBNVMXCTSPRSSF-SMDDNHRTSA-N 2 1 311.267 3.235 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000423085291 434209261 /nfs/dbraw/zinc/20/92/61/434209261.db2.gz JTJJXICKJNOJRX-FFZOFVMBSA-N 2 1 312.457 3.312 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423101850 434217170 /nfs/dbraw/zinc/21/71/70/434217170.db2.gz DHKHMFOTVIJZJL-ZYHUDNBSSA-N 2 1 315.230 3.381 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000320585650 434240090 /nfs/dbraw/zinc/24/00/90/434240090.db2.gz BMNFWSPSUSBUNF-CVEARBPZSA-N 2 1 320.477 3.476 20 0 DGADMP CCSc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423133357 434240166 /nfs/dbraw/zinc/24/01/66/434240166.db2.gz QIYPPNMLARKZTG-KURKYZTESA-N 2 1 320.502 3.045 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000320534147 434240926 /nfs/dbraw/zinc/24/09/26/434240926.db2.gz OBONHGQGWZSUIQ-HIFRSBDPSA-N 2 1 322.415 3.341 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000286368294 434246197 /nfs/dbraw/zinc/24/61/97/434246197.db2.gz ZLTJYYUNXBWJKA-JKSUJKDBSA-N 2 1 320.477 3.395 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCC2 ZINC000423166082 434257365 /nfs/dbraw/zinc/25/73/65/434257365.db2.gz CEQCMMUIXGUIDG-VSZNYVQBSA-N 2 1 300.446 3.027 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000423161251 434257702 /nfs/dbraw/zinc/25/77/02/434257702.db2.gz IMLSFMRPJICHNJ-JQWIXIFHSA-N 2 1 316.474 3.206 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379625345 434259050 /nfs/dbraw/zinc/25/90/50/434259050.db2.gz KUVYSIQGHMVOPO-WDSOQIARSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379625345 434259062 /nfs/dbraw/zinc/25/90/62/434259062.db2.gz KUVYSIQGHMVOPO-WDSOQIARSA-N 2 1 304.478 3.300 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000353597929 434259638 /nfs/dbraw/zinc/25/96/38/434259638.db2.gz VHYOCLYTXJPZIH-MJLBXUHQSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000353597929 434259645 /nfs/dbraw/zinc/25/96/45/434259645.db2.gz VHYOCLYTXJPZIH-MJLBXUHQSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000353597929 434259656 /nfs/dbraw/zinc/25/96/56/434259656.db2.gz VHYOCLYTXJPZIH-MJLBXUHQSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000353597929 434259663 /nfs/dbraw/zinc/25/96/63/434259663.db2.gz VHYOCLYTXJPZIH-MJLBXUHQSA-N 2 1 314.473 3.264 20 0 DGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188541 434271953 /nfs/dbraw/zinc/27/19/53/434271953.db2.gz NZJRAQDNCMMEHP-FQEVSTJZSA-N 2 1 311.473 3.418 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106054 434223264 /nfs/dbraw/zinc/22/32/64/434223264.db2.gz JHNWMOFVHCOZCN-IQZDNPOKSA-N 2 1 302.462 3.068 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000319478477 434223399 /nfs/dbraw/zinc/22/33/99/434223399.db2.gz RXBQAFYXJPSUPF-BHIYHBOVSA-N 2 1 304.478 3.444 20 0 DGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000319478477 434223408 /nfs/dbraw/zinc/22/34/08/434223408.db2.gz RXBQAFYXJPSUPF-BHIYHBOVSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCCC23CCOCC3)([NH+](C)C)C1 ZINC000319669420 434223838 /nfs/dbraw/zinc/22/38/38/434223838.db2.gz PDWBJOAWFRISOQ-LMMKCTJWSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000319478478 434223909 /nfs/dbraw/zinc/22/39/09/434223909.db2.gz RXBQAFYXJPSUPF-NZSAHSFTSA-N 2 1 304.478 3.444 20 0 DGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000319478478 434223914 /nfs/dbraw/zinc/22/39/14/434223914.db2.gz RXBQAFYXJPSUPF-NZSAHSFTSA-N 2 1 304.478 3.444 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)cc1F ZINC000423117169 434227860 /nfs/dbraw/zinc/22/78/60/434227860.db2.gz UCLSAHPHTRPMPS-NZUILWFCSA-N 2 1 306.425 3.201 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295160554 434233045 /nfs/dbraw/zinc/23/30/45/434233045.db2.gz SDGHBISANBZLCD-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295160554 434233054 /nfs/dbraw/zinc/23/30/54/434233054.db2.gz SDGHBISANBZLCD-YQVWRLOYSA-N 2 1 304.478 3.038 20 0 DGADMP FC1(F)CC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000383279055 434283624 /nfs/dbraw/zinc/28/36/24/434283624.db2.gz OTQGGCXDVRBUAL-ROUUACIJSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000383279055 434283633 /nfs/dbraw/zinc/28/36/33/434283633.db2.gz OTQGGCXDVRBUAL-ROUUACIJSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000383279055 434283639 /nfs/dbraw/zinc/28/36/39/434283639.db2.gz OTQGGCXDVRBUAL-ROUUACIJSA-N 2 1 320.427 3.486 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C[NH+](C)C ZINC000383723519 434285585 /nfs/dbraw/zinc/28/55/85/434285585.db2.gz VVBABJIOEXWCCQ-JTQLQIEISA-N 2 1 319.674 3.390 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)C[NH+](C)C ZINC000383716797 434285828 /nfs/dbraw/zinc/28/58/28/434285828.db2.gz UVKFLTYWAWYFRQ-SNVBAGLBSA-N 2 1 319.674 3.390 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423211006 434287445 /nfs/dbraw/zinc/28/74/45/434287445.db2.gz KLQVCSUFKAAWGM-MNOVXSKESA-N 2 1 315.230 3.238 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000340674660 434290012 /nfs/dbraw/zinc/29/00/12/434290012.db2.gz LQUFRMLNMZALIK-HNNXBMFYSA-N 2 1 320.452 3.088 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000423217266 434290161 /nfs/dbraw/zinc/29/01/61/434290161.db2.gz PTWKGLJRTRBHSL-WOPDTQHZSA-N 2 1 316.367 3.466 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353638551 434292583 /nfs/dbraw/zinc/29/25/83/434292583.db2.gz SFTYKLFWOSIBRY-RTBURBONSA-N 2 1 309.457 3.478 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000384937379 434294263 /nfs/dbraw/zinc/29/42/63/434294263.db2.gz JKIWVIKRCAGEQG-IBGZPJMESA-N 2 1 309.457 3.392 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348386084 434296328 /nfs/dbraw/zinc/29/63/28/434296328.db2.gz OKQWFLKVVKZLPA-MOPGFXCFSA-N 3 1 320.525 3.462 20 0 DGADMP COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1C ZINC000353646706 434298494 /nfs/dbraw/zinc/29/84/94/434298494.db2.gz QVLDFLIECMADFX-UHFFFAOYSA-N 2 1 313.445 3.192 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348403141 434304655 /nfs/dbraw/zinc/30/46/55/434304655.db2.gz CPAGORCNHJTIDU-XGXHKWSGSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400658 434305292 /nfs/dbraw/zinc/30/52/92/434305292.db2.gz ARHJLFSWGZLHGM-MAUKXSAKSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400658 434305304 /nfs/dbraw/zinc/30/53/04/434305304.db2.gz ARHJLFSWGZLHGM-MAUKXSAKSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400658 434305313 /nfs/dbraw/zinc/30/53/13/434305313.db2.gz ARHJLFSWGZLHGM-MAUKXSAKSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1F ZINC000348400658 434305324 /nfs/dbraw/zinc/30/53/24/434305324.db2.gz ARHJLFSWGZLHGM-MAUKXSAKSA-N 2 1 308.441 3.367 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2cnns2)CC1)CC(C)C ZINC000450643685 434309725 /nfs/dbraw/zinc/30/97/25/434309725.db2.gz BPMBDVIACMMDOV-UHFFFAOYSA-N 2 1 310.511 3.118 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnns2)CC1)CC(C)C ZINC000450643685 434309736 /nfs/dbraw/zinc/30/97/36/434309736.db2.gz BPMBDVIACMMDOV-UHFFFAOYSA-N 2 1 310.511 3.118 20 0 DGADMP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818121 434314298 /nfs/dbraw/zinc/31/42/98/434314298.db2.gz FRHMRPCIGKWEHB-XUVXKRRUSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818121 434314305 /nfs/dbraw/zinc/31/43/05/434314305.db2.gz FRHMRPCIGKWEHB-XUVXKRRUSA-N 2 1 315.505 3.019 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258992 434318983 /nfs/dbraw/zinc/31/89/83/434318983.db2.gz CUOHSERKAONPKM-CZUORRHYSA-N 2 1 306.450 3.262 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258990 434319890 /nfs/dbraw/zinc/31/98/90/434319890.db2.gz CUOHSERKAONPKM-BBRMVZONSA-N 2 1 306.450 3.262 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262216 434322301 /nfs/dbraw/zinc/32/23/01/434322301.db2.gz MAPBOTQTSAAXKC-LWYYNNOASA-N 2 1 315.505 3.145 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423264274 434325428 /nfs/dbraw/zinc/32/54/28/434325428.db2.gz PSRAEKUTQWDXLG-FZKQIMNGSA-N 2 1 303.450 3.203 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423269751 434328967 /nfs/dbraw/zinc/32/89/67/434328967.db2.gz HMOLZSMAZGZOPJ-RISCZKNCSA-N 2 1 304.356 3.262 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423272030 434329742 /nfs/dbraw/zinc/32/97/42/434329742.db2.gz HUYRWSKNXKUYDA-QMTHXVAHSA-N 2 1 302.340 3.016 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000388358852 434330323 /nfs/dbraw/zinc/33/03/23/434330323.db2.gz LJHBLNWKVLHHFR-MDZRGWNJSA-N 2 1 304.478 3.423 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000388358290 434331461 /nfs/dbraw/zinc/33/14/61/434331461.db2.gz RQABUFDPHXZRRV-KXBFYZLASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390555795 434362760 /nfs/dbraw/zinc/36/27/60/434362760.db2.gz HFYLHHBIUPEKHI-BTHPGYMESA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390555795 434362771 /nfs/dbraw/zinc/36/27/71/434362771.db2.gz HFYLHHBIUPEKHI-BTHPGYMESA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390555798 434363001 /nfs/dbraw/zinc/36/30/01/434363001.db2.gz HFYLHHBIUPEKHI-VBSBHUPXSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390555798 434363010 /nfs/dbraw/zinc/36/30/10/434363010.db2.gz HFYLHHBIUPEKHI-VBSBHUPXSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423331958 434365319 /nfs/dbraw/zinc/36/53/19/434365319.db2.gz QLCOQFGXLFBITI-ZWNOBZJWSA-N 2 1 305.422 3.263 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)C[NH3+])CCC3)cc1 ZINC000423326787 434365571 /nfs/dbraw/zinc/36/55/71/434365571.db2.gz MYDYAAFIVPVDHI-TZMCWYRMSA-N 2 1 301.459 3.433 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673765 434368100 /nfs/dbraw/zinc/36/81/00/434368100.db2.gz SUAGFZHREJEUMP-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000390673765 434368107 /nfs/dbraw/zinc/36/81/07/434368107.db2.gz SUAGFZHREJEUMP-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCC ZINC000423333818 434368652 /nfs/dbraw/zinc/36/86/52/434368652.db2.gz WAVXBMNJGJTSQW-HZPDHXFCSA-N 2 1 306.450 3.262 20 0 DGADMP C[C@H](Nc1cc[nH+]cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390816295 434369915 /nfs/dbraw/zinc/36/99/15/434369915.db2.gz LIJPXPPSYHSCSJ-GOEBONIOSA-N 2 1 315.848 3.479 20 0 DGADMP C[C@H](Nc1cc[nH+]cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390816295 434369923 /nfs/dbraw/zinc/36/99/23/434369923.db2.gz LIJPXPPSYHSCSJ-GOEBONIOSA-N 2 1 315.848 3.479 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000348522234 434370261 /nfs/dbraw/zinc/37/02/61/434370261.db2.gz WFOPPHDRLSIGFM-RBUKOAKNSA-N 2 1 313.445 3.309 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)C[NH3+])CCC3)cc1 ZINC000423342906 434374683 /nfs/dbraw/zinc/37/46/83/434374683.db2.gz ZJYMPNVCPZDKCD-RISCZKNCSA-N 2 1 317.458 3.133 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC(C)C ZINC000417380920 434374862 /nfs/dbraw/zinc/37/48/62/434374862.db2.gz UXFNMGVQAZCWFH-HXUWFJFHSA-N 2 1 318.505 3.344 20 0 DGADMP CCc1cccc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000353738234 434379762 /nfs/dbraw/zinc/37/97/62/434379762.db2.gz MZEPCBMJCVHILK-INIZCTEOSA-N 2 1 324.896 3.229 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366300105 434382140 /nfs/dbraw/zinc/38/21/40/434382140.db2.gz QPLKLCBTVRYNAG-RBUKOAKNSA-N 2 1 315.505 3.156 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423369873 434386384 /nfs/dbraw/zinc/38/63/84/434386384.db2.gz CHLNFZOCLLHVCN-OTBHMBEGSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc2ccccc2n1C ZINC000423374198 434388872 /nfs/dbraw/zinc/38/88/72/434388872.db2.gz IAAGLMPNHRPFRD-ZDUSSCGKSA-N 2 1 306.413 3.027 20 0 DGADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423275331 434335489 /nfs/dbraw/zinc/33/54/89/434335489.db2.gz LQQNGWSVASHADQ-KGLIPLIRSA-N 2 1 309.251 3.072 20 0 DGADMP CC(C)([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423289044 434345012 /nfs/dbraw/zinc/34/50/12/434345012.db2.gz VXPYLNCUKQWSAV-GUDVDZBRSA-N 2 1 315.505 3.004 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000423299424 434349295 /nfs/dbraw/zinc/34/92/95/434349295.db2.gz QESSPXFRRRAYCJ-FHLIZLRMSA-N 2 1 318.461 3.275 20 0 DGADMP Cc1ccccc1[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162674 434349482 /nfs/dbraw/zinc/34/94/82/434349482.db2.gz IBEFTCWCOLRPQD-MJGOQNOKSA-N 2 1 302.462 3.243 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2cccc(Br)c21 ZINC000423311987 434353601 /nfs/dbraw/zinc/35/36/01/434353601.db2.gz CIXDWDRCEIDPEH-BIGNPOOSSA-N 2 1 309.251 3.324 20 0 DGADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2ccccc2c1OC(F)F ZINC000423309451 434354302 /nfs/dbraw/zinc/35/43/02/434354302.db2.gz ZUSFNMLBSVTYEH-NSHDSACASA-N 2 1 306.356 3.311 20 0 DGADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000417320637 434354398 /nfs/dbraw/zinc/35/43/98/434354398.db2.gz KDZQJBSPPMRPAZ-QZTJIDSGSA-N 2 1 309.542 3.209 20 0 DGADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423307210 434356338 /nfs/dbraw/zinc/35/63/38/434356338.db2.gz GDCFGFQKBRJLGF-LLVKDONJSA-N 2 1 317.246 3.108 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423317847 434358210 /nfs/dbraw/zinc/35/82/10/434358210.db2.gz KROSXTIHUNDYFB-QMTHXVAHSA-N 2 1 302.340 3.016 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000423317589 434358965 /nfs/dbraw/zinc/35/89/65/434358965.db2.gz BVTGXNMWPSIABB-OAHLLOKOSA-N 2 1 317.477 3.091 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390555796 434359681 /nfs/dbraw/zinc/35/96/81/434359681.db2.gz HFYLHHBIUPEKHI-GSEOLPGOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390555796 434359692 /nfs/dbraw/zinc/35/96/92/434359692.db2.gz HFYLHHBIUPEKHI-GSEOLPGOSA-N 2 1 315.505 3.017 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366224016 434360803 /nfs/dbraw/zinc/36/08/03/434360803.db2.gz VSQAEVVUSUZNLB-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423484836 434446603 /nfs/dbraw/zinc/44/66/03/434446603.db2.gz YYAZDWOARUVGJA-DLBZAZTESA-N 2 1 303.837 3.346 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000423378056 434392747 /nfs/dbraw/zinc/39/27/47/434392747.db2.gz MBCNCHTVZHVMRO-SDDRHHMPSA-N 2 1 312.841 3.148 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000393387842 434394565 /nfs/dbraw/zinc/39/45/65/434394565.db2.gz RBAMWLQSQLGPPL-UAGQMJEPSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000438101418 434401497 /nfs/dbraw/zinc/40/14/97/434401497.db2.gz GGMFHGOQKNVXIC-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000438101418 434401509 /nfs/dbraw/zinc/40/15/09/434401509.db2.gz GGMFHGOQKNVXIC-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101418 434401518 /nfs/dbraw/zinc/40/15/18/434401518.db2.gz GGMFHGOQKNVXIC-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000394419282 434401597 /nfs/dbraw/zinc/40/15/97/434401597.db2.gz FYXWQHCFMYZFCT-TZIWHRDSSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000394419282 434401604 /nfs/dbraw/zinc/40/16/04/434401604.db2.gz FYXWQHCFMYZFCT-TZIWHRDSSA-N 2 1 322.452 3.449 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101418 434401530 /nfs/dbraw/zinc/40/15/30/434401530.db2.gz GGMFHGOQKNVXIC-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423487167 434447813 /nfs/dbraw/zinc/44/78/13/434447813.db2.gz VHUOMQBKPSNQIZ-NWDGAFQWSA-N 2 1 300.418 3.304 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000394440608 434403550 /nfs/dbraw/zinc/40/35/50/434403550.db2.gz MQAILDMIWZJFJZ-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000394440608 434403561 /nfs/dbraw/zinc/40/35/61/434403561.db2.gz MQAILDMIWZJFJZ-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103778 434409278 /nfs/dbraw/zinc/40/92/78/434409278.db2.gz VNZXLLPVLGUJQI-XJKSGUPXSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103778 434409290 /nfs/dbraw/zinc/40/92/90/434409290.db2.gz VNZXLLPVLGUJQI-XJKSGUPXSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103778 434409298 /nfs/dbraw/zinc/40/92/98/434409298.db2.gz VNZXLLPVLGUJQI-XJKSGUPXSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@@H]1C ZINC000438103778 434409309 /nfs/dbraw/zinc/40/93/09/434409309.db2.gz VNZXLLPVLGUJQI-XJKSGUPXSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438103164 434409399 /nfs/dbraw/zinc/40/93/99/434409399.db2.gz XNCOQPRTIGPOTQ-APWZRJJASA-N 2 1 322.468 3.362 20 0 DGADMP COC[C@]1(C[NH2+][C@@H](C)c2cc3ccccc3s2)CCC[NH2+]1 ZINC000423409282 434410568 /nfs/dbraw/zinc/41/05/68/434410568.db2.gz BOLKIMADTBVPEF-SUMWQHHRSA-N 2 1 304.459 3.321 20 0 DGADMP C[N@H+](CC[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438124228 434418151 /nfs/dbraw/zinc/41/81/51/434418151.db2.gz ZSWKSKCJPOVVBB-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](CC[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438124228 434418161 /nfs/dbraw/zinc/41/81/61/434418161.db2.gz ZSWKSKCJPOVVBB-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423429744 434418714 /nfs/dbraw/zinc/41/87/14/434418714.db2.gz KLZPHKKLTAHEPF-FFGOWVMKSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423429744 434418723 /nfs/dbraw/zinc/41/87/23/434418723.db2.gz KLZPHKKLTAHEPF-FFGOWVMKSA-N 2 1 315.505 3.289 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132710 434419484 /nfs/dbraw/zinc/41/94/84/434419484.db2.gz ZRXPMCPMVQHWCH-INIZCTEOSA-N 2 1 318.490 3.444 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132710 434419490 /nfs/dbraw/zinc/41/94/90/434419490.db2.gz ZRXPMCPMVQHWCH-INIZCTEOSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132710 434419500 /nfs/dbraw/zinc/41/95/00/434419500.db2.gz ZRXPMCPMVQHWCH-INIZCTEOSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132710 434419509 /nfs/dbraw/zinc/41/95/09/434419509.db2.gz ZRXPMCPMVQHWCH-INIZCTEOSA-N 2 1 318.490 3.444 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423429743 434420927 /nfs/dbraw/zinc/42/09/27/434420927.db2.gz KLZPHKKLTAHEPF-AFYVEPGGSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423429743 434420936 /nfs/dbraw/zinc/42/09/36/434420936.db2.gz KLZPHKKLTAHEPF-AFYVEPGGSA-N 2 1 315.505 3.289 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423429746 434421182 /nfs/dbraw/zinc/42/11/82/434421182.db2.gz KLZPHKKLTAHEPF-RSPOEFSDSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423429746 434421191 /nfs/dbraw/zinc/42/11/91/434421191.db2.gz KLZPHKKLTAHEPF-RSPOEFSDSA-N 2 1 315.505 3.289 20 0 DGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(SCC(F)(F)F)cc1 ZINC000423437807 434424655 /nfs/dbraw/zinc/42/46/55/434424655.db2.gz QSQRVBGJEFNPED-QQUHWDOBSA-N 2 1 316.392 3.209 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423439419 434425096 /nfs/dbraw/zinc/42/50/96/434425096.db2.gz AAQNBZBQINLDSL-TZMCWYRMSA-N 2 1 302.340 3.363 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423434953 434425849 /nfs/dbraw/zinc/42/58/49/434425849.db2.gz KUYSRTIKAABLAG-VOBQZIQPSA-N 3 1 324.472 3.219 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967682 434425858 /nfs/dbraw/zinc/42/58/58/434425858.db2.gz JZUAVCUPUFSZGL-MSOLQXFVSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000396967682 434425862 /nfs/dbraw/zinc/42/58/62/434425862.db2.gz JZUAVCUPUFSZGL-MSOLQXFVSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000423465016 434435638 /nfs/dbraw/zinc/43/56/38/434435638.db2.gz MIUYIVUAVINBBC-ZANVPECISA-N 2 1 317.658 3.417 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2sccc2Br)C[C@H]1C[NH3+] ZINC000397314723 434437044 /nfs/dbraw/zinc/43/70/44/434437044.db2.gz QKCRNIZCMBRGHE-OUAUKWLOSA-N 2 1 317.296 3.316 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2sccc2Br)C[C@H]1C[NH3+] ZINC000397314723 434437054 /nfs/dbraw/zinc/43/70/54/434437054.db2.gz QKCRNIZCMBRGHE-OUAUKWLOSA-N 2 1 317.296 3.316 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000438335963 434459189 /nfs/dbraw/zinc/45/91/89/434459189.db2.gz SERSEQNIKIBNNT-GOSISDBHSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000438335963 434459195 /nfs/dbraw/zinc/45/91/95/434459195.db2.gz SERSEQNIKIBNNT-GOSISDBHSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000438335963 434459205 /nfs/dbraw/zinc/45/92/05/434459205.db2.gz SERSEQNIKIBNNT-GOSISDBHSA-N 2 1 318.505 3.237 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423497369 434459792 /nfs/dbraw/zinc/45/97/92/434459792.db2.gz GVMHXFXISDAQJX-JKIFEVAISA-N 2 1 320.477 3.303 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000423500089 434460005 /nfs/dbraw/zinc/46/00/05/434460005.db2.gz KBWHVFWEBKKGTJ-SJORKVTESA-N 2 1 304.434 3.031 20 0 DGADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497982 434461934 /nfs/dbraw/zinc/46/19/34/434461934.db2.gz ATZDIQSUYXGPTH-JCGIZDLHSA-N 2 1 300.471 3.414 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423507774 434464371 /nfs/dbraw/zinc/46/43/71/434464371.db2.gz QKMQHENQCDGZJW-WMLDXEAASA-N 2 1 320.477 3.050 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423533904 434479528 /nfs/dbraw/zinc/47/95/28/434479528.db2.gz UQJVEDFLSJYNKV-CJNGLKHVSA-N 2 1 306.450 3.180 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423536193 434480517 /nfs/dbraw/zinc/48/05/17/434480517.db2.gz YZQNFQJXCKORQB-TYCQWZJGSA-N 2 1 324.468 3.362 20 0 DGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000423534654 434480641 /nfs/dbraw/zinc/48/06/41/434480641.db2.gz WMJYAZWLSZJYLU-HZPDHXFCSA-N 2 1 306.450 3.262 20 0 DGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000423534653 434482130 /nfs/dbraw/zinc/48/21/30/434482130.db2.gz WMJYAZWLSZJYLU-HOTGVXAUSA-N 2 1 306.450 3.262 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000360045346 434490719 /nfs/dbraw/zinc/49/07/19/434490719.db2.gz KIOZIFARNIGLSH-DJIMGWMZSA-N 2 1 309.523 3.061 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000423573658 434491381 /nfs/dbraw/zinc/49/13/81/434491381.db2.gz ZIZYMYIIGFGKNY-UHFFFAOYSA-N 3 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000398072606 434452798 /nfs/dbraw/zinc/45/27/98/434452798.db2.gz ZEAMMCPTCJBACT-ZHFAOOELSA-N 2 1 321.468 3.384 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398147753 434457473 /nfs/dbraw/zinc/45/74/73/434457473.db2.gz OLFMITWSHGJWRM-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398147753 434457479 /nfs/dbraw/zinc/45/74/79/434457479.db2.gz OLFMITWSHGJWRM-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366767723 434508115 /nfs/dbraw/zinc/50/81/15/434508115.db2.gz YDFFDJSJNCQGFH-XDNAFOTISA-N 2 1 318.509 3.156 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366767723 434508121 /nfs/dbraw/zinc/50/81/21/434508121.db2.gz YDFFDJSJNCQGFH-XDNAFOTISA-N 2 1 318.509 3.156 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@@H]1CC[NH3+] ZINC000404378103 434511954 /nfs/dbraw/zinc/51/19/54/434511954.db2.gz SUGWNEJRQKAREV-CZUORRHYSA-N 2 1 323.868 3.118 20 0 DGADMP CCn1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c2ccccc21 ZINC000404437239 434515632 /nfs/dbraw/zinc/51/56/32/434515632.db2.gz RWEKDNNNOMSSJX-WMLDXEAASA-N 2 1 300.450 3.006 20 0 DGADMP CCn1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c2ccccc21 ZINC000404437239 434515643 /nfs/dbraw/zinc/51/56/43/434515643.db2.gz RWEKDNNNOMSSJX-WMLDXEAASA-N 2 1 300.450 3.006 20 0 DGADMP CCOC(=O)c1coc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000353929863 434533664 /nfs/dbraw/zinc/53/36/64/434533664.db2.gz NKGOUTVMEUDZDM-HNNXBMFYSA-N 2 1 322.449 3.201 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000353947073 434541956 /nfs/dbraw/zinc/54/19/56/434541956.db2.gz LANZPANGZNQXEU-MAUKXSAKSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2COC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000417945313 434554443 /nfs/dbraw/zinc/55/44/43/434554443.db2.gz DDBFGTIOPZTBTM-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000360235712 434555244 /nfs/dbraw/zinc/55/52/44/434555244.db2.gz XJOXJABAWQXWQS-BEFAXECRSA-N 2 1 302.462 3.394 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000360235716 434556124 /nfs/dbraw/zinc/55/61/24/434556124.db2.gz XJOXJABAWQXWQS-KXBFYZLASA-N 2 1 302.462 3.394 20 0 DGADMP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000527536260 295102112 /nfs/dbraw/zinc/10/21/12/295102112.db2.gz VHFXBLPLBPQAIJ-HXUWFJFHSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000527536260 295102114 /nfs/dbraw/zinc/10/21/14/295102114.db2.gz VHFXBLPLBPQAIJ-HXUWFJFHSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527536260 295102116 /nfs/dbraw/zinc/10/21/16/295102116.db2.gz VHFXBLPLBPQAIJ-HXUWFJFHSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527536260 295102118 /nfs/dbraw/zinc/10/21/18/295102118.db2.gz VHFXBLPLBPQAIJ-HXUWFJFHSA-N 2 1 309.457 3.344 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000527848954 295139808 /nfs/dbraw/zinc/13/98/08/295139808.db2.gz GYOHZADHVUANFM-SFHVURJKSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CC12CC2 ZINC000527853713 295140649 /nfs/dbraw/zinc/14/06/49/295140649.db2.gz QQKFTRIVMWZRAP-GPMSIDNRSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CC12CC2 ZINC000527853713 295140651 /nfs/dbraw/zinc/14/06/51/295140651.db2.gz QQKFTRIVMWZRAP-GPMSIDNRSA-N 2 1 314.473 3.186 20 0 DGADMP COc1cccnc1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000527856146 295141171 /nfs/dbraw/zinc/14/11/71/295141171.db2.gz WBTAIORMULQPEE-UHFFFAOYSA-N 2 1 315.392 3.306 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@H]3CC34CC4)CCCC2)CC1 ZINC000527859180 295141531 /nfs/dbraw/zinc/14/15/31/295141531.db2.gz DFAXJEDZMZAZCM-NVXWUHKLSA-N 2 1 306.494 3.188 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2CC(C)C)CC1 ZINC000527922174 295150670 /nfs/dbraw/zinc/15/06/70/295150670.db2.gz WYALLLRVIGQHPH-UHFFFAOYSA-N 2 1 304.478 3.086 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527978536 295159945 /nfs/dbraw/zinc/15/99/45/295159945.db2.gz IMFSYMKPKVPBHM-UHFFFAOYSA-N 2 1 314.473 3.198 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@H](C)C1 ZINC000527996251 295162284 /nfs/dbraw/zinc/16/22/84/295162284.db2.gz PBIQBUPTZBLMSC-ACJLOTCBSA-N 2 1 317.452 3.478 20 0 DGADMP C[C@@H]([NH2+]CCOCC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459397986 434577329 /nfs/dbraw/zinc/57/73/29/434577329.db2.gz DXENOMKCSBOLQL-AEFFLSMTSA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528393145 295207301 /nfs/dbraw/zinc/20/73/01/295207301.db2.gz IUVKDKRLTWTLDP-MJGOQNOKSA-N 2 1 322.468 3.047 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399395 295208527 /nfs/dbraw/zinc/20/85/27/295208527.db2.gz WSCHFQLNDMXNOV-JCGIZDLHSA-N 2 1 308.441 3.318 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399395 295208529 /nfs/dbraw/zinc/20/85/29/295208529.db2.gz WSCHFQLNDMXNOV-JCGIZDLHSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399395 295208531 /nfs/dbraw/zinc/20/85/31/295208531.db2.gz WSCHFQLNDMXNOV-JCGIZDLHSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399395 295208533 /nfs/dbraw/zinc/20/85/33/295208533.db2.gz WSCHFQLNDMXNOV-JCGIZDLHSA-N 2 1 308.441 3.318 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407518 295209544 /nfs/dbraw/zinc/20/95/44/295209544.db2.gz QCQPJEALXQQLNJ-TZMCWYRMSA-N 2 1 313.367 3.017 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCCO2 ZINC000180406582 295270530 /nfs/dbraw/zinc/27/05/30/295270530.db2.gz QZKINCRVJCDUGX-SFHVURJKSA-N 2 1 318.461 3.371 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796758 295333409 /nfs/dbraw/zinc/33/34/09/295333409.db2.gz YYTRHOWZLIDUOG-VQTJNVASSA-N 3 1 315.505 3.422 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000455662350 295390498 /nfs/dbraw/zinc/39/04/98/295390498.db2.gz QSJOIFPXNSQAFN-QAPCUYQASA-N 2 1 302.462 3.468 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349145270 434619209 /nfs/dbraw/zinc/61/92/09/434619209.db2.gz DSVRKNDQDBLWPH-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000354088232 434611220 /nfs/dbraw/zinc/61/12/20/434611220.db2.gz MQLVCIAHZHLSCB-QGZVFWFLSA-N 2 1 316.445 3.366 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000424179698 434647540 /nfs/dbraw/zinc/64/75/40/434647540.db2.gz TXVRDLYIFAKHSR-JKSUJKDBSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000424179698 434647546 /nfs/dbraw/zinc/64/75/46/434647546.db2.gz TXVRDLYIFAKHSR-JKSUJKDBSA-N 2 1 304.482 3.207 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000354166175 434648635 /nfs/dbraw/zinc/64/86/35/434648635.db2.gz JDUHWUKURPXDOZ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000354166175 434648639 /nfs/dbraw/zinc/64/86/39/434648639.db2.gz JDUHWUKURPXDOZ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000354166175 434648644 /nfs/dbraw/zinc/64/86/44/434648644.db2.gz JDUHWUKURPXDOZ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000354166175 434648649 /nfs/dbraw/zinc/64/86/49/434648649.db2.gz JDUHWUKURPXDOZ-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166780 434650713 /nfs/dbraw/zinc/65/07/13/434650713.db2.gz MMWNXNSOUKMCRU-QGZVFWFLSA-N 2 1 316.474 3.056 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166780 434650718 /nfs/dbraw/zinc/65/07/18/434650718.db2.gz MMWNXNSOUKMCRU-QGZVFWFLSA-N 2 1 316.474 3.056 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166780 434650724 /nfs/dbraw/zinc/65/07/24/434650724.db2.gz MMWNXNSOUKMCRU-QGZVFWFLSA-N 2 1 316.474 3.056 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000354166780 434650729 /nfs/dbraw/zinc/65/07/29/434650729.db2.gz MMWNXNSOUKMCRU-QGZVFWFLSA-N 2 1 316.474 3.056 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166756 434650871 /nfs/dbraw/zinc/65/08/71/434650871.db2.gz MHXVRYXHWLVXKK-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166756 434650879 /nfs/dbraw/zinc/65/08/79/434650879.db2.gz MHXVRYXHWLVXKK-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166756 434650887 /nfs/dbraw/zinc/65/08/87/434650887.db2.gz MHXVRYXHWLVXKK-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000354166756 434650893 /nfs/dbraw/zinc/65/08/93/434650893.db2.gz MHXVRYXHWLVXKK-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000354181384 434659471 /nfs/dbraw/zinc/65/94/71/434659471.db2.gz LYPLNNZLBWJOBT-SOLBZPMBSA-N 2 1 303.494 3.279 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000354181384 434659474 /nfs/dbraw/zinc/65/94/74/434659474.db2.gz LYPLNNZLBWJOBT-SOLBZPMBSA-N 2 1 303.494 3.279 20 0 DGADMP Cc1ccccc1CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371302165 434664463 /nfs/dbraw/zinc/66/44/63/434664463.db2.gz XTTZLYMDUCRWGQ-HSALFYBXSA-N 2 1 316.489 3.111 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000371340356 434673003 /nfs/dbraw/zinc/67/30/03/434673003.db2.gz DKGQRQDTKXEUES-WTGUMLROSA-N 2 1 321.553 3.161 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000371334841 434673720 /nfs/dbraw/zinc/67/37/20/434673720.db2.gz HMLBLYDHKYGNNC-IBGZPJMESA-N 2 1 321.553 3.303 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220307 434674005 /nfs/dbraw/zinc/67/40/05/434674005.db2.gz FCDSXPHWMKVZMH-SJORKVTESA-N 2 1 317.477 3.047 20 0 DGADMP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1OC(C)C ZINC000459723852 434676956 /nfs/dbraw/zinc/67/69/56/434676956.db2.gz DDDABCBSAPUHTA-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459721100 434677596 /nfs/dbraw/zinc/67/75/96/434677596.db2.gz APMNFOINDAKHTA-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424286619 434677796 /nfs/dbraw/zinc/67/77/96/434677796.db2.gz HMKSGCUMYHMJAZ-MRXNPFEDSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424296909 434682525 /nfs/dbraw/zinc/68/25/25/434682525.db2.gz SLLWUAXETAHPTN-MRXNPFEDSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459731979 434683412 /nfs/dbraw/zinc/68/34/12/434683412.db2.gz LQOBXTBFYVAAFF-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000459735772 434683582 /nfs/dbraw/zinc/68/35/82/434683582.db2.gz PPLHHAXWDMLYPO-ZDUSSCGKSA-N 2 1 318.490 3.095 20 0 DGADMP C[C@@H]1CCc2nc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000459734371 434684560 /nfs/dbraw/zinc/68/45/60/434684560.db2.gz OOXKXMRJUOROLM-ZIAGYGMSSA-N 2 1 307.507 3.089 20 0 DGADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424301571 434684988 /nfs/dbraw/zinc/68/49/88/434684988.db2.gz XRVIHASUEPPPNS-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000459741910 434689461 /nfs/dbraw/zinc/68/94/61/434689461.db2.gz VNQRAGUEHWNZDQ-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP OCC[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411227387 434749490 /nfs/dbraw/zinc/74/94/90/434749490.db2.gz QKVICEOAFCLWCT-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC(F)(F)F)c1 ZINC000349387529 434701869 /nfs/dbraw/zinc/70/18/69/434701869.db2.gz WCRNKLWZLBISEF-UHFFFAOYSA-N 2 1 304.356 3.359 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(F)(F)F)c1 ZINC000349387529 434701875 /nfs/dbraw/zinc/70/18/75/434701875.db2.gz WCRNKLWZLBISEF-UHFFFAOYSA-N 2 1 304.356 3.359 20 0 DGADMP CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000349405443 434705656 /nfs/dbraw/zinc/70/56/56/434705656.db2.gz INPHKPZRPJGJRZ-UHFFFAOYSA-N 2 1 305.397 3.251 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000349405443 434705665 /nfs/dbraw/zinc/70/56/65/434705665.db2.gz INPHKPZRPJGJRZ-UHFFFAOYSA-N 2 1 305.397 3.251 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccccc1)CC[NH2+]CC2 ZINC000424375309 434713225 /nfs/dbraw/zinc/71/32/25/434713225.db2.gz JKFKHABYMSIAMA-MRXNPFEDSA-N 2 1 324.472 3.051 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2c1 ZINC000424379377 434714205 /nfs/dbraw/zinc/71/42/05/434714205.db2.gz OOGNEMSPFYYNFT-AWEZNQCLSA-N 2 1 314.429 3.405 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379993 434717613 /nfs/dbraw/zinc/71/76/13/434717613.db2.gz WNEYIIDSXDOCER-KCPJHIHWSA-N 2 1 316.474 3.434 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411272431 434754754 /nfs/dbraw/zinc/75/47/54/434754754.db2.gz STAXETHSTKUZGG-HXUWFJFHSA-N 3 1 315.505 3.056 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411272431 434754758 /nfs/dbraw/zinc/75/47/58/434754758.db2.gz STAXETHSTKUZGG-HXUWFJFHSA-N 3 1 315.505 3.056 20 0 DGADMP COc1ccc2nc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)sc2c1 ZINC000459796782 434723214 /nfs/dbraw/zinc/72/32/14/434723214.db2.gz WHUGQOXHZGEVIK-ZDUSSCGKSA-N 2 1 319.474 3.126 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000354331759 434724691 /nfs/dbraw/zinc/72/46/91/434724691.db2.gz SCHNWIPJIJLIJN-LRYGQEGESA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000419228846 434755051 /nfs/dbraw/zinc/75/50/51/434755051.db2.gz NGRSAMBZFMCUNN-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000411300138 434757313 /nfs/dbraw/zinc/75/73/13/434757313.db2.gz LSKJVNIMIUVVRD-KDURUIRLSA-N 2 1 300.446 3.036 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000411300138 434757320 /nfs/dbraw/zinc/75/73/20/434757320.db2.gz LSKJVNIMIUVVRD-KDURUIRLSA-N 2 1 300.446 3.036 20 0 DGADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000442874652 434772326 /nfs/dbraw/zinc/77/23/26/434772326.db2.gz UNUYADSZJBFQIL-MRXNPFEDSA-N 2 1 309.523 3.205 20 0 DGADMP C[C@H]1COCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411403162 434774238 /nfs/dbraw/zinc/77/42/38/434774238.db2.gz SWAUSZKXMUHDRZ-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC[NH2+]1 ZINC000414732464 297248984 /nfs/dbraw/zinc/24/89/84/297248984.db2.gz BSAJSRGHNLENAI-WBVHZDCISA-N 2 1 320.452 3.195 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000453056597 434786783 /nfs/dbraw/zinc/78/67/83/434786783.db2.gz GHSUEXAQABXGRY-YVSFHVDLSA-N 2 1 304.482 3.237 20 0 DGADMP CCn1ccnc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453064852 434789436 /nfs/dbraw/zinc/78/94/36/434789436.db2.gz UPOITSCWMHCDTH-BBWFWOEESA-N 2 1 306.498 3.312 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000453104115 434802569 /nfs/dbraw/zinc/80/25/69/434802569.db2.gz SWUAOOWSDHOEKY-GOSISDBHSA-N 2 1 307.526 3.107 20 0 DGADMP CC[C@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411566356 434802913 /nfs/dbraw/zinc/80/29/13/434802913.db2.gz GRLMUEXQDWJUTE-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000361077004 434791546 /nfs/dbraw/zinc/79/15/46/434791546.db2.gz XWRWKAROCFNTNT-VROUVPMXSA-N 2 1 315.505 3.140 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000361077004 434791564 /nfs/dbraw/zinc/79/15/64/434791564.db2.gz XWRWKAROCFNTNT-VROUVPMXSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2cnccn2)c1 ZINC000453077316 434792748 /nfs/dbraw/zinc/79/27/48/434792748.db2.gz FJIZITUBWNAHTB-INIZCTEOSA-N 2 1 312.461 3.038 20 0 DGADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411612237 434808100 /nfs/dbraw/zinc/80/81/00/434808100.db2.gz LFMXQBNYXUPMDW-XEMDLRDOSA-N 2 1 316.489 3.406 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453132250 434810694 /nfs/dbraw/zinc/81/06/94/434810694.db2.gz XWKMCRRRGWMVPZ-VNTMZGSJSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1Cl ZINC000361140766 434811164 /nfs/dbraw/zinc/81/11/64/434811164.db2.gz HQARUZQIOGSCQY-UHFFFAOYSA-N 2 1 323.893 3.499 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H]2CCOc3c(F)ccc(F)c32)[C@H]2CCC[C@H]21 ZINC000361190471 434826373 /nfs/dbraw/zinc/82/63/73/434826373.db2.gz YUNMMRWIRGGVEX-MSQAHXEGSA-N 2 1 322.399 3.251 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H]2CCC[C@H]21 ZINC000361190471 434826378 /nfs/dbraw/zinc/82/63/78/434826378.db2.gz YUNMMRWIRGGVEX-MSQAHXEGSA-N 2 1 322.399 3.251 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H]2CCC[C@H]21 ZINC000361190471 434826381 /nfs/dbraw/zinc/82/63/81/434826381.db2.gz YUNMMRWIRGGVEX-MSQAHXEGSA-N 2 1 322.399 3.251 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)OC ZINC000453245995 434838777 /nfs/dbraw/zinc/83/87/77/434838777.db2.gz GOGGOHMRKWDBJN-IYWMVGAKSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000453284998 434849178 /nfs/dbraw/zinc/84/91/78/434849178.db2.gz NQBQKPDMILGTDQ-ZRNYENFQSA-N 2 1 314.473 3.198 20 0 DGADMP Cc1cc(C)c(/C=C/C[N@H+](CCO)C2CCN(C)CC2)cc1C ZINC000637813760 434885577 /nfs/dbraw/zinc/88/55/77/434885577.db2.gz CPMKXXAEOPVSAW-AATRIKPKSA-N 2 1 316.489 3.014 20 0 DGADMP Cc1cc(C)c(/C=C/CN(CCO)C2CC[NH+](C)CC2)cc1C ZINC000637813760 434885582 /nfs/dbraw/zinc/88/55/82/434885582.db2.gz CPMKXXAEOPVSAW-AATRIKPKSA-N 2 1 316.489 3.014 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637888643 434900922 /nfs/dbraw/zinc/90/09/22/434900922.db2.gz KARORXSOFXEEAN-GOSISDBHSA-N 2 1 315.505 3.318 20 0 DGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115248 434901519 /nfs/dbraw/zinc/90/15/19/434901519.db2.gz FCPHSGUGFNYWIB-YSIASYRMSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115248 434901525 /nfs/dbraw/zinc/90/15/25/434901525.db2.gz FCPHSGUGFNYWIB-YSIASYRMSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000521942658 434901793 /nfs/dbraw/zinc/90/17/93/434901793.db2.gz WALVXMFACDXMDK-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000521942658 434901797 /nfs/dbraw/zinc/90/17/97/434901797.db2.gz WALVXMFACDXMDK-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000521942658 434901801 /nfs/dbraw/zinc/90/18/01/434901801.db2.gz WALVXMFACDXMDK-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637888646 434902395 /nfs/dbraw/zinc/90/23/95/434902395.db2.gz KARORXSOFXEEAN-SFHVURJKSA-N 2 1 315.505 3.318 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036421 434906816 /nfs/dbraw/zinc/90/68/16/434906816.db2.gz SFKAZMJVPXINQU-WBVHZDCISA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036421 434906817 /nfs/dbraw/zinc/90/68/17/434906817.db2.gz SFKAZMJVPXINQU-WBVHZDCISA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036420 434907054 /nfs/dbraw/zinc/90/70/54/434907054.db2.gz SFKAZMJVPXINQU-RDJZCZTQSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000522036420 434907056 /nfs/dbraw/zinc/90/70/56/434907056.db2.gz SFKAZMJVPXINQU-RDJZCZTQSA-N 2 1 324.415 3.247 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462411089 434912318 /nfs/dbraw/zinc/91/23/18/434912318.db2.gz POLXCDYMAWOFNU-IBGZPJMESA-N 2 1 302.462 3.048 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000573105327 434873801 /nfs/dbraw/zinc/87/38/01/434873801.db2.gz BDWOBLYWZFQRRI-GSEOLPGOSA-N 3 1 315.505 3.147 20 0 DGADMP Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000521197069 434875261 /nfs/dbraw/zinc/87/52/61/434875261.db2.gz LJGIMLRJJGBRBL-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000521197069 434875264 /nfs/dbraw/zinc/87/52/64/434875264.db2.gz LJGIMLRJJGBRBL-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCCCO3)C2)s1 ZINC000554852267 434948374 /nfs/dbraw/zinc/94/83/74/434948374.db2.gz UYCVJIORAMXFBM-SJORKVTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCCO3)C2)s1 ZINC000554852267 434948378 /nfs/dbraw/zinc/94/83/78/434948378.db2.gz UYCVJIORAMXFBM-SJORKVTESA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCCO3)C2)s1 ZINC000554852267 434948380 /nfs/dbraw/zinc/94/83/80/434948380.db2.gz UYCVJIORAMXFBM-SJORKVTESA-N 2 1 322.518 3.379 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F ZINC000463265516 434949841 /nfs/dbraw/zinc/94/98/41/434949841.db2.gz KGFXYJUMDZZPNG-AWEZNQCLSA-N 2 1 314.395 3.482 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000555003282 434956098 /nfs/dbraw/zinc/95/60/98/434956098.db2.gz RIWBOAFMOJOVSY-FVQBIDKESA-N 2 1 314.395 3.337 20 0 DGADMP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000555228728 434966223 /nfs/dbraw/zinc/96/62/23/434966223.db2.gz HMAUMPPKLDMYMK-TVFCKZIOSA-N 2 1 316.514 3.381 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000573884491 434933740 /nfs/dbraw/zinc/93/37/40/434933740.db2.gz ANVXLWBDWPPBCY-PKOBYXMFSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@H](C)[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000573884491 434933742 /nfs/dbraw/zinc/93/37/42/434933742.db2.gz ANVXLWBDWPPBCY-PKOBYXMFSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@H](C)[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000573884491 434933745 /nfs/dbraw/zinc/93/37/45/434933745.db2.gz ANVXLWBDWPPBCY-PKOBYXMFSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@H](C)[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000573884491 434933749 /nfs/dbraw/zinc/93/37/49/434933749.db2.gz ANVXLWBDWPPBCY-PKOBYXMFSA-N 2 1 318.505 3.469 20 0 DGADMP COc1cc(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC000638365566 435014254 /nfs/dbraw/zinc/01/42/54/435014254.db2.gz FYGMZAGBASUYDY-SJORKVTESA-N 2 1 319.493 3.123 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638389314 435020432 /nfs/dbraw/zinc/02/04/32/435020432.db2.gz FEWKHEHULXMGIK-IEBWSBKVSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638389314 435020435 /nfs/dbraw/zinc/02/04/35/435020435.db2.gz FEWKHEHULXMGIK-IEBWSBKVSA-N 2 1 300.446 3.123 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000555530908 434977566 /nfs/dbraw/zinc/97/75/66/434977566.db2.gz WLMCPLNXVDNZBF-KSZLIROESA-N 2 1 324.509 3.210 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000524728180 434986493 /nfs/dbraw/zinc/98/64/93/434986493.db2.gz YDJMTFUHFYSNTA-ZACQAIPSSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000556051339 434992085 /nfs/dbraw/zinc/99/20/85/434992085.db2.gz WYXAPADFGVYRJZ-AQNXPRMDSA-N 2 1 317.521 3.388 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccns2)CC1)CC1CC1 ZINC000638275753 434994580 /nfs/dbraw/zinc/99/45/80/434994580.db2.gz OCENEAUILKDLCC-UHFFFAOYSA-N 2 1 307.507 3.477 20 0 DGADMP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638291269 434998199 /nfs/dbraw/zinc/99/81/99/434998199.db2.gz NPKYICJSOHONDK-IEBWSBKVSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638301672 434999611 /nfs/dbraw/zinc/99/96/11/434999611.db2.gz CGTRTTSINUOTAU-OALUTQOASA-N 2 1 315.505 3.367 20 0 DGADMP CC[C@@H]1C[NH+](CC(C)C[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000464788609 435001838 /nfs/dbraw/zinc/00/18/38/435001838.db2.gz KVCAGZKRXLNMFW-HZPDHXFCSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000556857853 435033101 /nfs/dbraw/zinc/03/31/01/435033101.db2.gz IJFRKVGZKWOGSL-ZIAGYGMSSA-N 2 1 308.416 3.360 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638316799 435003825 /nfs/dbraw/zinc/00/38/25/435003825.db2.gz MABWGUWTYZEGFV-IEBWSBKVSA-N 2 1 302.462 3.371 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638316799 435003828 /nfs/dbraw/zinc/00/38/28/435003828.db2.gz MABWGUWTYZEGFV-IEBWSBKVSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361037 435012607 /nfs/dbraw/zinc/01/26/07/435012607.db2.gz ZLVNWANADNWCAG-POAQFYNOSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361037 435012610 /nfs/dbraw/zinc/01/26/10/435012610.db2.gz ZLVNWANADNWCAG-POAQFYNOSA-N 2 1 324.472 3.229 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000530902523 435059547 /nfs/dbraw/zinc/05/95/47/435059547.db2.gz RMRNFJUPRDMOOG-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000530902523 435059552 /nfs/dbraw/zinc/05/95/52/435059552.db2.gz RMRNFJUPRDMOOG-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000530902523 435059557 /nfs/dbraw/zinc/05/95/57/435059557.db2.gz RMRNFJUPRDMOOG-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638611567 435059780 /nfs/dbraw/zinc/05/97/80/435059780.db2.gz IGDPHXVPSLQBPT-DZIBYMRMSA-N 2 1 324.472 3.402 20 0 DGADMP CC(C)(O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638621847 435060850 /nfs/dbraw/zinc/06/08/50/435060850.db2.gz ZEJYCCULQHZPQR-HXUWFJFHSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]CC(C)(C)Oc1ccccc1 ZINC000638674126 435067593 /nfs/dbraw/zinc/06/75/93/435067593.db2.gz FWGNPBGIEJTIPQ-UHFFFAOYSA-N 2 1 301.434 3.419 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638668806 435068454 /nfs/dbraw/zinc/06/84/54/435068454.db2.gz PMDPRIXHPPREAN-YSIASYRMSA-N 2 1 316.489 3.495 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638668806 435068455 /nfs/dbraw/zinc/06/84/55/435068455.db2.gz PMDPRIXHPPREAN-YSIASYRMSA-N 2 1 316.489 3.495 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638688462 435069453 /nfs/dbraw/zinc/06/94/53/435069453.db2.gz FZIYESAQLUMIMX-IHPCNDPISA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638688462 435069457 /nfs/dbraw/zinc/06/94/57/435069457.db2.gz FZIYESAQLUMIMX-IHPCNDPISA-N 2 1 316.489 3.351 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638798160 435089500 /nfs/dbraw/zinc/08/95/00/435089500.db2.gz BYLKHQQTXJAOBQ-HNBVOPMISA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638798160 435089503 /nfs/dbraw/zinc/08/95/03/435089503.db2.gz BYLKHQQTXJAOBQ-HNBVOPMISA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638798164 435089839 /nfs/dbraw/zinc/08/98/39/435089839.db2.gz BYLKHQQTXJAOBQ-ZULIPRJHSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638798164 435089841 /nfs/dbraw/zinc/08/98/41/435089841.db2.gz BYLKHQQTXJAOBQ-ZULIPRJHSA-N 2 1 314.473 3.248 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638476449 435040092 /nfs/dbraw/zinc/04/00/92/435040092.db2.gz NUBHNAZWORWREW-IEZWGBDMSA-N 2 1 302.462 3.369 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638476449 435040094 /nfs/dbraw/zinc/04/00/94/435040094.db2.gz NUBHNAZWORWREW-IEZWGBDMSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187490 435146546 /nfs/dbraw/zinc/14/65/46/435146546.db2.gz BSUCBADDKVMLBZ-IAGOWNOFSA-N 2 1 323.550 3.451 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)[C@H]1C ZINC000474485301 435148904 /nfs/dbraw/zinc/14/89/04/435148904.db2.gz PSPMKLLDBJCROE-DKIMLUQUSA-N 2 1 324.509 3.064 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639039 435098080 /nfs/dbraw/zinc/09/80/80/435098080.db2.gz RGJVPLHPEBGGMK-KVZIAJEVSA-N 2 1 316.489 3.018 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639039 435098087 /nfs/dbraw/zinc/09/80/87/435098087.db2.gz RGJVPLHPEBGGMK-KVZIAJEVSA-N 2 1 316.489 3.018 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639039 435098092 /nfs/dbraw/zinc/09/80/92/435098092.db2.gz RGJVPLHPEBGGMK-KVZIAJEVSA-N 2 1 316.489 3.018 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000578639039 435098100 /nfs/dbraw/zinc/09/81/00/435098100.db2.gz RGJVPLHPEBGGMK-KVZIAJEVSA-N 2 1 316.489 3.018 20 0 DGADMP c1c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)onc1C1CC1 ZINC000638850324 435104122 /nfs/dbraw/zinc/10/41/22/435104122.db2.gz MBNSQGXBNPAWEQ-UHFFFAOYSA-N 2 1 311.429 3.438 20 0 DGADMP CCCCO[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762095 435108376 /nfs/dbraw/zinc/10/83/76/435108376.db2.gz ZDLJATASPHPJGL-DLBZAZTESA-N 2 1 307.482 3.268 20 0 DGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000578762095 435108380 /nfs/dbraw/zinc/10/83/80/435108380.db2.gz ZDLJATASPHPJGL-DLBZAZTESA-N 2 1 307.482 3.268 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)C ZINC000531677567 435109611 /nfs/dbraw/zinc/10/96/11/435109611.db2.gz IELHRACLVQZYCK-HOTGVXAUSA-N 2 1 309.523 3.061 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531737229 435114704 /nfs/dbraw/zinc/11/47/04/435114704.db2.gz WWWKTBWGFSSYMU-XYPHTWIQSA-N 2 1 309.885 3.015 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000578923828 435119593 /nfs/dbraw/zinc/11/95/93/435119593.db2.gz XNCUMWRDEWVEEX-LNLFQRSKSA-N 2 1 309.542 3.348 20 0 DGADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000559751883 435139471 /nfs/dbraw/zinc/13/94/71/435139471.db2.gz OHXHUKJNBOEZRZ-QUCCMNQESA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000559751883 435139475 /nfs/dbraw/zinc/13/94/75/435139475.db2.gz OHXHUKJNBOEZRZ-QUCCMNQESA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000559751883 435139478 /nfs/dbraw/zinc/13/94/78/435139478.db2.gz OHXHUKJNBOEZRZ-QUCCMNQESA-N 2 1 315.505 3.286 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)ccn1 ZINC000559892234 435141622 /nfs/dbraw/zinc/14/16/22/435141622.db2.gz BRLABLTYFLEBRY-INIZCTEOSA-N 2 1 313.445 3.263 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)ccn1 ZINC000559892234 435141624 /nfs/dbraw/zinc/14/16/24/435141624.db2.gz BRLABLTYFLEBRY-INIZCTEOSA-N 2 1 313.445 3.263 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639065374 435142538 /nfs/dbraw/zinc/14/25/38/435142538.db2.gz GTGRSIIKXAXUCJ-RSPOEFSDSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639065374 435142543 /nfs/dbraw/zinc/14/25/43/435142543.db2.gz GTGRSIIKXAXUCJ-RSPOEFSDSA-N 2 1 314.473 3.248 20 0 DGADMP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000532188170 435145733 /nfs/dbraw/zinc/14/57/33/435145733.db2.gz BSVQRWGLVSUXQB-LPHOPBHVSA-N 2 1 302.462 3.187 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1)CC1CC1 ZINC000475328258 435190670 /nfs/dbraw/zinc/19/06/70/435190670.db2.gz HJJAFWSTDKMXKI-APWZRJJASA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493889831 435191612 /nfs/dbraw/zinc/19/16/12/435191612.db2.gz YTPNHNHPBKGBBP-PKOBYXMFSA-N 2 1 316.489 3.482 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639194717 435192954 /nfs/dbraw/zinc/19/29/54/435192954.db2.gz JUPDJOCYGCZUQS-PMACEKPBSA-N 2 1 316.489 3.447 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000494644198 435196919 /nfs/dbraw/zinc/19/69/19/435196919.db2.gz ZMYVMWDZENOVFS-HKUYNNGSSA-N 2 1 316.489 3.338 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639212932 435200428 /nfs/dbraw/zinc/20/04/28/435200428.db2.gz DDYKMSILLSCTQU-XKGZKEIXSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639212932 435200430 /nfs/dbraw/zinc/20/04/30/435200430.db2.gz DDYKMSILLSCTQU-XKGZKEIXSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CO)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639221151 435203185 /nfs/dbraw/zinc/20/31/85/435203185.db2.gz MELANRZIEKDYCX-HKUYNNGSSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CO)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639221151 435203188 /nfs/dbraw/zinc/20/31/88/435203188.db2.gz MELANRZIEKDYCX-HKUYNNGSSA-N 2 1 316.489 3.353 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639221807 435203358 /nfs/dbraw/zinc/20/33/58/435203358.db2.gz FNLVYUKOMDYGFH-QEEHTWDDSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639221807 435203362 /nfs/dbraw/zinc/20/33/62/435203362.db2.gz FNLVYUKOMDYGFH-QEEHTWDDSA-N 2 1 314.473 3.105 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000639224423 435205595 /nfs/dbraw/zinc/20/55/95/435205595.db2.gz JQEMDQOGDVKDQD-BHIYHBOVSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000639224423 435205599 /nfs/dbraw/zinc/20/55/99/435205599.db2.gz JQEMDQOGDVKDQD-BHIYHBOVSA-N 2 1 300.446 3.123 20 0 DGADMP C[C@@H]1CC[N@H+](CCN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240698 435151669 /nfs/dbraw/zinc/15/16/69/435151669.db2.gz OAEHNMSYQHSWHO-CJNGLKHVSA-N 2 1 308.853 3.485 20 0 DGADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240698 435151673 /nfs/dbraw/zinc/15/16/73/435151673.db2.gz OAEHNMSYQHSWHO-CJNGLKHVSA-N 2 1 308.853 3.485 20 0 DGADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639111589 435159294 /nfs/dbraw/zinc/15/92/94/435159294.db2.gz BGMTZYWBYMQMTF-IEZWGBDMSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639111589 435159296 /nfs/dbraw/zinc/15/92/96/435159296.db2.gz BGMTZYWBYMQMTF-IEZWGBDMSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801820 435161734 /nfs/dbraw/zinc/16/17/34/435161734.db2.gz ZMKCXBPDRWOHPC-PXNSSMCTSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801820 435161738 /nfs/dbraw/zinc/16/17/38/435161738.db2.gz ZMKCXBPDRWOHPC-PXNSSMCTSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560533489 435176679 /nfs/dbraw/zinc/17/66/79/435176679.db2.gz KTKGGKGRIMXINL-GSEOLPGOSA-N 2 1 316.489 3.038 20 0 DGADMP COCC1([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000560553354 435177218 /nfs/dbraw/zinc/17/72/18/435177218.db2.gz AXQBEFNIPNJYAB-UHFFFAOYSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000639170326 435181116 /nfs/dbraw/zinc/18/11/16/435181116.db2.gz SXDKPCZHTAPYLH-PKOBYXMFSA-N 2 1 304.478 3.473 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)c2ccccc21 ZINC000580301832 435221175 /nfs/dbraw/zinc/22/11/75/435221175.db2.gz QSFZYHLBLXGEQL-UXHICEINSA-N 2 1 318.424 3.166 20 0 DGADMP C[NH+]1CCN([C@H](C[NH2+]CC2CCCCC2)c2cccs2)CC1 ZINC000533106331 435211563 /nfs/dbraw/zinc/21/15/63/435211563.db2.gz DAZUWYHZTMAVNI-QGZVFWFLSA-N 2 1 321.534 3.207 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C2CC2)cc1 ZINC000639295176 435233645 /nfs/dbraw/zinc/23/36/45/435233645.db2.gz LQQXGDLSHWOBEX-VRCPBSEVSA-N 2 1 312.457 3.264 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C2CC2)cc1 ZINC000639295176 435233647 /nfs/dbraw/zinc/23/36/47/435233647.db2.gz LQQXGDLSHWOBEX-VRCPBSEVSA-N 2 1 312.457 3.264 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)CC1 ZINC000561976270 435243717 /nfs/dbraw/zinc/24/37/17/435243717.db2.gz OCYQTVSEOCNBKI-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000562040922 435247422 /nfs/dbraw/zinc/24/74/22/435247422.db2.gz GDLWXFWDZNKMNH-RBSFLKMASA-N 2 1 322.415 3.341 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000562040922 435247427 /nfs/dbraw/zinc/24/74/27/435247427.db2.gz GDLWXFWDZNKMNH-RBSFLKMASA-N 2 1 322.415 3.341 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183189627 298317298 /nfs/dbraw/zinc/31/72/98/298317298.db2.gz JTIAXJICFNPWPA-BZUAXINKSA-N 2 1 324.509 3.349 20 0 DGADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354633 435259653 /nfs/dbraw/zinc/25/96/53/435259653.db2.gz MVZMBQIPESOMFY-YSIASYRMSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354633 435259666 /nfs/dbraw/zinc/25/96/66/435259666.db2.gz MVZMBQIPESOMFY-YSIASYRMSA-N 2 1 313.489 3.038 20 0 DGADMP Clc1cnc2oc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2c1 ZINC000648429323 435297070 /nfs/dbraw/zinc/29/70/70/435297070.db2.gz XQDPPMRSUABFKN-UHFFFAOYSA-N 2 1 319.836 3.445 20 0 DGADMP O=c1[nH]cccc1CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354853 435260882 /nfs/dbraw/zinc/26/08/82/435260882.db2.gz QSAGCCAVXLKJFN-IEBWSBKVSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354853 435260888 /nfs/dbraw/zinc/26/08/88/435260888.db2.gz QSAGCCAVXLKJFN-IEBWSBKVSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354853 435260890 /nfs/dbraw/zinc/26/08/90/435260890.db2.gz QSAGCCAVXLKJFN-IEBWSBKVSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354853 435260896 /nfs/dbraw/zinc/26/08/96/435260896.db2.gz QSAGCCAVXLKJFN-IEBWSBKVSA-N 2 1 323.440 3.245 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccns1 ZINC000639359204 435263747 /nfs/dbraw/zinc/26/37/47/435263747.db2.gz JDRINXIAOZBQNK-GDBMZVCRSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccns1 ZINC000639359204 435263754 /nfs/dbraw/zinc/26/37/54/435263754.db2.gz JDRINXIAOZBQNK-GDBMZVCRSA-N 2 1 301.459 3.001 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510925 435327770 /nfs/dbraw/zinc/32/77/70/435327770.db2.gz GWCZLXVYICJTSF-INIZCTEOSA-N 2 1 313.445 3.424 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510925 435327777 /nfs/dbraw/zinc/32/77/77/435327777.db2.gz GWCZLXVYICJTSF-INIZCTEOSA-N 2 1 313.445 3.424 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510925 435327781 /nfs/dbraw/zinc/32/77/81/435327781.db2.gz GWCZLXVYICJTSF-INIZCTEOSA-N 2 1 313.445 3.424 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510925 435327786 /nfs/dbraw/zinc/32/77/86/435327786.db2.gz GWCZLXVYICJTSF-INIZCTEOSA-N 2 1 313.445 3.424 20 0 DGADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000643467498 435332353 /nfs/dbraw/zinc/33/23/53/435332353.db2.gz MWUSWUZDMRKQTN-MEDUHNTESA-N 2 1 305.809 3.186 20 0 DGADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000643474505 435334736 /nfs/dbraw/zinc/33/47/36/435334736.db2.gz YGKSYUJXQMWAPD-OTNPHJDUSA-N 2 1 324.468 3.234 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567651525 435337546 /nfs/dbraw/zinc/33/75/46/435337546.db2.gz ZUDSRYYBVUSSDQ-SJORKVTESA-N 2 1 317.477 3.032 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000643522475 435340389 /nfs/dbraw/zinc/34/03/89/435340389.db2.gz NUPONQXVTZJQDO-CMPLNLGQSA-N 2 1 302.340 3.220 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000567695984 435344148 /nfs/dbraw/zinc/34/41/48/435344148.db2.gz LVJQAHYXQBAJIC-SFHVURJKSA-N 2 1 317.477 3.115 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C)[NH3+])CCC3)cc1 ZINC000643529038 435344133 /nfs/dbraw/zinc/34/41/33/435344133.db2.gz TVJHITGEWVWXMD-FZMZJTMJSA-N 2 1 317.458 3.133 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1)CC(C)C ZINC000639559445 435344266 /nfs/dbraw/zinc/34/42/66/435344266.db2.gz PTGCIGOZLBFYMI-PKOBYXMFSA-N 2 1 310.526 3.491 20 0 DGADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000479695858 435347903 /nfs/dbraw/zinc/34/79/03/435347903.db2.gz YPKPIKINTSJVPO-INIZCTEOSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCS2 ZINC000643547479 435349301 /nfs/dbraw/zinc/34/93/01/435349301.db2.gz FZMFQJMQKYSHEA-XJKSGUPXSA-N 2 1 318.486 3.496 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1C(C)(C)C ZINC000535838785 435359142 /nfs/dbraw/zinc/35/91/42/435359142.db2.gz FZNJVFYQOPQLAO-HOTGVXAUSA-N 2 1 304.478 3.091 20 0 DGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000478917797 435313983 /nfs/dbraw/zinc/31/39/83/435313983.db2.gz QFKMAIUZRHMMOX-MOPGFXCFSA-N 2 1 309.542 3.209 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCOC1 ZINC000536713262 435406359 /nfs/dbraw/zinc/40/63/59/435406359.db2.gz MKWCHNKZYLMURM-SFHVURJKSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(-c2ccccc2)c1 ZINC000481029162 435406452 /nfs/dbraw/zinc/40/64/52/435406452.db2.gz ZJMDTCWYQPIBOT-LAUBAEHRSA-N 2 1 324.468 3.461 20 0 DGADMP CCCCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000481017471 435406772 /nfs/dbraw/zinc/40/67/72/435406772.db2.gz CYQQLTOGTQZLGF-LPHOPBHVSA-N 2 1 304.478 3.137 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(-c2ccccc2)c1 ZINC000481029161 435407586 /nfs/dbraw/zinc/40/75/86/435407586.db2.gz ZJMDTCWYQPIBOT-DYESRHJHSA-N 2 1 324.468 3.461 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2CCOCC2)CC1)CC1CC1 ZINC000536736574 435407745 /nfs/dbraw/zinc/40/77/45/435407745.db2.gz SIIMNKGFKVYCDX-UHFFFAOYSA-N 2 1 308.510 3.247 20 0 DGADMP Cc1nc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000568273457 435418815 /nfs/dbraw/zinc/41/88/15/435418815.db2.gz SAOBLRANDNZQFX-PBHICJAKSA-N 2 1 318.490 3.261 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792425 435419767 /nfs/dbraw/zinc/41/97/67/435419767.db2.gz KMFRSWXTDVSUGH-MSOLQXFVSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792425 435419772 /nfs/dbraw/zinc/41/97/72/435419772.db2.gz KMFRSWXTDVSUGH-MSOLQXFVSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792425 435419777 /nfs/dbraw/zinc/41/97/77/435419777.db2.gz KMFRSWXTDVSUGH-MSOLQXFVSA-N 2 1 324.472 3.294 20 0 DGADMP COc1cc2c(N[C@H]3CCC[N@@H+](C)[C@H]3C)cc[nH+]c2cc1F ZINC000480107672 435367935 /nfs/dbraw/zinc/36/79/35/435367935.db2.gz IRWFVHNUYFHASS-FZMZJTMJSA-N 2 1 303.381 3.277 20 0 DGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536066675 435368759 /nfs/dbraw/zinc/36/87/59/435368759.db2.gz HOLGITVHVNPKOB-DZGCQCFKSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@@H](c2nccn2C)C1 ZINC000536066675 435368763 /nfs/dbraw/zinc/36/87/63/435368763.db2.gz HOLGITVHVNPKOB-DZGCQCFKSA-N 2 1 323.400 3.021 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000639656393 435381769 /nfs/dbraw/zinc/38/17/69/435381769.db2.gz ZUMXRXOLSDKHTO-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000639656393 435381773 /nfs/dbraw/zinc/38/17/73/435381773.db2.gz ZUMXRXOLSDKHTO-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639656393 435381776 /nfs/dbraw/zinc/38/17/76/435381776.db2.gz ZUMXRXOLSDKHTO-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639656393 435381780 /nfs/dbraw/zinc/38/17/80/435381780.db2.gz ZUMXRXOLSDKHTO-LJQANCHMSA-N 2 1 311.429 3.178 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)c1 ZINC000536477014 435383481 /nfs/dbraw/zinc/38/34/81/435383481.db2.gz XZOVDQSKUURYDD-SFHVURJKSA-N 2 1 313.445 3.297 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)c1 ZINC000536477014 435383482 /nfs/dbraw/zinc/38/34/82/435383482.db2.gz XZOVDQSKUURYDD-SFHVURJKSA-N 2 1 313.445 3.297 20 0 DGADMP C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000480612527 435386417 /nfs/dbraw/zinc/38/64/17/435386417.db2.gz PPHAAHXFCBVLDA-QZTJIDSGSA-N 2 1 321.553 3.494 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000648698771 435390917 /nfs/dbraw/zinc/39/09/17/435390917.db2.gz KSVCEDBUDSMSIX-IBGZPJMESA-N 2 1 300.446 3.146 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480715519 435392815 /nfs/dbraw/zinc/39/28/15/435392815.db2.gz PCYPOKCWYVKGPR-SJORKVTESA-N 2 1 304.478 3.480 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000513654947 435397051 /nfs/dbraw/zinc/39/70/51/435397051.db2.gz YJSCXXKCXWFTNB-ZIAGYGMSSA-N 2 1 301.821 3.349 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000513654947 435397055 /nfs/dbraw/zinc/39/70/55/435397055.db2.gz YJSCXXKCXWFTNB-ZIAGYGMSSA-N 2 1 301.821 3.349 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000537511091 435446626 /nfs/dbraw/zinc/44/66/26/435446626.db2.gz DTRAZBLOFGPVBV-UHFFFAOYSA-N 2 1 302.462 3.312 20 0 DGADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(C)(C)[NH3+] ZINC000514937976 435451267 /nfs/dbraw/zinc/45/12/67/435451267.db2.gz JLOJSHWMFQNYKW-UHFFFAOYSA-N 2 1 314.477 3.459 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000482168164 435456769 /nfs/dbraw/zinc/45/67/69/435456769.db2.gz XERZUALXBVDABL-FUHWJXTLSA-N 2 1 317.477 3.115 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)[C@@H]2c2ccco2)CC1 ZINC000639929548 435464571 /nfs/dbraw/zinc/46/45/71/435464571.db2.gz NRGSWDZFFSVKJH-SFHVURJKSA-N 2 1 319.493 3.079 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000482452165 435467039 /nfs/dbraw/zinc/46/70/39/435467039.db2.gz AETYLJJKHXMYSL-UHFFFAOYSA-N 2 1 313.489 3.371 20 0 DGADMP Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000639971628 435476852 /nfs/dbraw/zinc/47/68/52/435476852.db2.gz SUPMXZDSZWIPBR-UHFFFAOYSA-N 2 1 312.461 3.336 20 0 DGADMP CCC[C@@H](CC)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000537295551 435437744 /nfs/dbraw/zinc/43/77/44/435437744.db2.gz OGONILARGUDTKG-CVEARBPZSA-N 2 1 309.523 3.205 20 0 DGADMP Cc1cccc(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000568504960 435441627 /nfs/dbraw/zinc/44/16/27/435441627.db2.gz UPFUDVNXVMBGAQ-IBGZPJMESA-N 2 1 315.505 3.376 20 0 DGADMP Cc1cccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000568504960 435441631 /nfs/dbraw/zinc/44/16/31/435441631.db2.gz UPFUDVNXVMBGAQ-IBGZPJMESA-N 2 1 315.505 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723895 435517546 /nfs/dbraw/zinc/51/75/46/435517546.db2.gz FTEWHXORAVGMQX-QYZOEREBSA-N 2 1 321.553 3.161 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569317596 435523490 /nfs/dbraw/zinc/52/34/90/435523490.db2.gz VSSAJXPKOYCAAC-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569317596 435523495 /nfs/dbraw/zinc/52/34/95/435523495.db2.gz VSSAJXPKOYCAAC-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639986673 435481574 /nfs/dbraw/zinc/48/15/74/435481574.db2.gz YKYMLPCGGLDROF-UHFFFAOYSA-N 2 1 318.490 3.383 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663867 435483489 /nfs/dbraw/zinc/48/34/89/435483489.db2.gz ZSRJANJKVHNAEB-RBUKOAKNSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000644663867 435483494 /nfs/dbraw/zinc/48/34/94/435483494.db2.gz ZSRJANJKVHNAEB-RBUKOAKNSA-N 2 1 304.478 3.038 20 0 DGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000515496732 435488930 /nfs/dbraw/zinc/48/89/30/435488930.db2.gz OWMCGZLFQHMFNU-CYBMUJFWSA-N 2 1 306.479 3.373 20 0 DGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000515496732 435488936 /nfs/dbraw/zinc/48/89/36/435488936.db2.gz OWMCGZLFQHMFNU-CYBMUJFWSA-N 2 1 306.479 3.373 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000569705951 435554880 /nfs/dbraw/zinc/55/48/80/435554880.db2.gz GOHOYSYMWSAEAL-MLGOLLRUSA-N 2 1 318.852 3.146 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000569705951 435554883 /nfs/dbraw/zinc/55/48/83/435554883.db2.gz GOHOYSYMWSAEAL-MLGOLLRUSA-N 2 1 318.852 3.146 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nc(-c2ccncc2)cs1 ZINC000569833947 435565476 /nfs/dbraw/zinc/56/54/76/435565476.db2.gz LLVCMZQBUZAFGZ-YDHLFZDLSA-N 2 1 316.474 3.244 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000569833946 435565542 /nfs/dbraw/zinc/56/55/42/435565542.db2.gz LLVCMZQBUZAFGZ-VNHYZAJKSA-N 2 1 316.474 3.244 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000569862174 435566802 /nfs/dbraw/zinc/56/68/02/435566802.db2.gz DHXQQWYXYNVPAW-XUJVJEKNSA-N 2 1 311.267 3.364 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000569862174 435566808 /nfs/dbraw/zinc/56/68/08/435566808.db2.gz DHXQQWYXYNVPAW-XUJVJEKNSA-N 2 1 311.267 3.364 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411956 435580477 /nfs/dbraw/zinc/58/04/77/435580477.db2.gz ZMIAALZDBIEMAE-FQEVSTJZSA-N 3 1 321.553 3.210 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411731 435580890 /nfs/dbraw/zinc/58/08/90/435580890.db2.gz ZRPYDURABLXCMM-UHFFFAOYSA-N 3 1 309.542 3.210 20 0 DGADMP CCCc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418068 435581913 /nfs/dbraw/zinc/58/19/13/435581913.db2.gz ZTKQEKORPKBSCL-LSDHHAIUSA-N 2 1 307.507 3.307 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccc(F)cc1F ZINC000517947303 435619775 /nfs/dbraw/zinc/61/97/75/435619775.db2.gz FDQIGGHWKDQQPI-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccc(F)cc1F ZINC000517947303 435619782 /nfs/dbraw/zinc/61/97/82/435619782.db2.gz FDQIGGHWKDQQPI-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccncc2Cl)C1 ZINC000540285835 435594728 /nfs/dbraw/zinc/59/47/28/435594728.db2.gz QMDRZKGACNYTBS-DZGCQCFKSA-N 2 1 301.821 3.404 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000540285835 435594736 /nfs/dbraw/zinc/59/47/36/435594736.db2.gz QMDRZKGACNYTBS-DZGCQCFKSA-N 2 1 301.821 3.404 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727171 435644050 /nfs/dbraw/zinc/64/40/50/435644050.db2.gz MGJFVKKAVCLQBN-NXHRZFHOSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727171 435644052 /nfs/dbraw/zinc/64/40/52/435644052.db2.gz MGJFVKKAVCLQBN-NXHRZFHOSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727171 435644056 /nfs/dbraw/zinc/64/40/56/435644056.db2.gz MGJFVKKAVCLQBN-NXHRZFHOSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727171 435644059 /nfs/dbraw/zinc/64/40/59/435644059.db2.gz MGJFVKKAVCLQBN-NXHRZFHOSA-N 2 1 322.518 3.114 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617509 435644665 /nfs/dbraw/zinc/64/46/65/435644665.db2.gz LZSKTLBHUOIYAB-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617509 435644668 /nfs/dbraw/zinc/64/46/68/435644668.db2.gz LZSKTLBHUOIYAB-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000649617509 435644672 /nfs/dbraw/zinc/64/46/72/435644672.db2.gz LZSKTLBHUOIYAB-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000649617509 435644676 /nfs/dbraw/zinc/64/46/76/435644676.db2.gz LZSKTLBHUOIYAB-OALUTQOASA-N 2 1 302.462 3.182 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000571058242 435674446 /nfs/dbraw/zinc/67/44/46/435674446.db2.gz QUNVCCJMYWDINZ-KRWDZBQOSA-N 2 1 313.445 3.068 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000571058242 435674448 /nfs/dbraw/zinc/67/44/48/435674448.db2.gz QUNVCCJMYWDINZ-KRWDZBQOSA-N 2 1 313.445 3.068 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481316 435696467 /nfs/dbraw/zinc/69/64/67/435696467.db2.gz NGLJDUZKYRBKPK-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP Clc1ccccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655704038 435735860 /nfs/dbraw/zinc/73/58/60/435735860.db2.gz YWSNWQHMFOLZQH-QGZVFWFLSA-N 2 1 322.880 3.116 20 0 DGADMP C[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655710896 435743132 /nfs/dbraw/zinc/74/31/32/435743132.db2.gz GUPKIYVEZSAHKU-VQIMIIECSA-N 2 1 302.462 3.023 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000655720445 435746966 /nfs/dbraw/zinc/74/69/66/435746966.db2.gz XGNZDLYMOCCOBV-KXBFYZLASA-N 2 1 320.477 3.142 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000655719499 435747008 /nfs/dbraw/zinc/74/70/08/435747008.db2.gz KFEPUVIOVPHOQA-ISARSNTHSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Sc1ccccc1 ZINC000655718858 435747273 /nfs/dbraw/zinc/74/72/73/435747273.db2.gz FAHNDYLGWSIRAY-DOTOQJQBSA-N 2 1 320.502 3.010 20 0 DGADMP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655716455 435747640 /nfs/dbraw/zinc/74/76/40/435747640.db2.gz XYRKXUVMHJKCLB-YLJYHZDGSA-N 2 1 316.489 3.332 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000655719501 435748852 /nfs/dbraw/zinc/74/88/52/435748852.db2.gz KFEPUVIOVPHOQA-RWQQGDIJSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1[nH]c2nc[nH+]c(NCC3CC[NH+](CC4CC4)CC3)c2c1C ZINC000664646225 435751691 /nfs/dbraw/zinc/75/16/91/435751691.db2.gz GBPCWWANZMMHDC-UHFFFAOYSA-N 2 1 313.449 3.109 20 0 DGADMP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655728678 435753376 /nfs/dbraw/zinc/75/33/76/435753376.db2.gz XYIYDZBYOXUGGV-XLIONFOSSA-N 2 1 316.489 3.332 20 0 DGADMP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655728677 435754104 /nfs/dbraw/zinc/75/41/04/435754104.db2.gz XYIYDZBYOXUGGV-PXNSSMCTSA-N 2 1 316.489 3.332 20 0 DGADMP c1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000655740957 435761635 /nfs/dbraw/zinc/76/16/35/435761635.db2.gz AEJNLAUDPHXDLT-LJQANCHMSA-N 2 1 314.473 3.299 20 0 DGADMP CC[N@H+](CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C)C(C)C ZINC000519726057 435704495 /nfs/dbraw/zinc/70/44/95/435704495.db2.gz SKCYUEIJQLURIT-OAHLLOKOSA-N 2 1 322.493 3.263 20 0 DGADMP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C)C(C)C ZINC000519726057 435704498 /nfs/dbraw/zinc/70/44/98/435704498.db2.gz SKCYUEIJQLURIT-OAHLLOKOSA-N 2 1 322.493 3.263 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000651675767 435787177 /nfs/dbraw/zinc/78/71/77/435787177.db2.gz BLQREFXLQLEPLR-KRWDZBQOSA-N 2 1 324.472 3.063 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000651675767 435787178 /nfs/dbraw/zinc/78/71/78/435787178.db2.gz BLQREFXLQLEPLR-KRWDZBQOSA-N 2 1 324.472 3.063 20 0 DGADMP Cc1cc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Cl ZINC000655769584 435787294 /nfs/dbraw/zinc/78/72/94/435787294.db2.gz LDCVUMDGOIJGIL-QGZVFWFLSA-N 2 1 322.880 3.034 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651680511 435791365 /nfs/dbraw/zinc/79/13/65/435791365.db2.gz JTSJREQUJDHLQB-OALUTQOASA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651680511 435791370 /nfs/dbraw/zinc/79/13/70/435791370.db2.gz JTSJREQUJDHLQB-OALUTQOASA-N 2 1 324.472 3.206 20 0 DGADMP C[C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@H]1n1ccnc1 ZINC000572239241 435796561 /nfs/dbraw/zinc/79/65/61/435796561.db2.gz PWMXIIBMWZZDMK-PKOBYXMFSA-N 2 1 312.461 3.293 20 0 DGADMP C[C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000572239238 435798097 /nfs/dbraw/zinc/79/80/97/435798097.db2.gz PWMXIIBMWZZDMK-HKUYNNGSSA-N 2 1 312.461 3.293 20 0 DGADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccccc2)n1 ZINC000641728729 435802398 /nfs/dbraw/zinc/80/23/98/435802398.db2.gz GQESDEBSXUETJF-YJBOKZPZSA-N 2 1 312.461 3.142 20 0 DGADMP CCOC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000550796979 435809892 /nfs/dbraw/zinc/80/98/92/435809892.db2.gz HVUSYNIEJMOLGT-GBESFXJTSA-N 2 1 304.478 3.473 20 0 DGADMP CCOC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000550796979 435809899 /nfs/dbraw/zinc/80/98/99/435809899.db2.gz HVUSYNIEJMOLGT-GBESFXJTSA-N 2 1 304.478 3.473 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651741757 435811277 /nfs/dbraw/zinc/81/12/77/435811277.db2.gz UWYKSSNJGMKJPW-OAHLLOKOSA-N 2 1 301.434 3.285 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651741757 435811287 /nfs/dbraw/zinc/81/12/87/435811287.db2.gz UWYKSSNJGMKJPW-OAHLLOKOSA-N 2 1 301.434 3.285 20 0 DGADMP COCC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836309 435814008 /nfs/dbraw/zinc/81/40/08/435814008.db2.gz QQNKJMBVEVDUSB-LJQANCHMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000651758873 435817731 /nfs/dbraw/zinc/81/77/31/435817731.db2.gz QJPZNTXTDATROY-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472394 435767601 /nfs/dbraw/zinc/76/76/01/435767601.db2.gz JXPBZTZCCOZKDT-GOEBONIOSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472394 435767607 /nfs/dbraw/zinc/76/76/07/435767607.db2.gz JXPBZTZCCOZKDT-GOEBONIOSA-N 2 1 324.415 3.213 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491559285 435771414 /nfs/dbraw/zinc/77/14/14/435771414.db2.gz JPIZQMXTSJCFER-CYBMUJFWSA-N 2 1 320.868 3.121 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081510 435771536 /nfs/dbraw/zinc/77/15/36/435771536.db2.gz GYLBTHSQKKKBEW-RTBURBONSA-N 2 1 314.473 3.130 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OCC(C)C ZINC000491594868 435776578 /nfs/dbraw/zinc/77/65/78/435776578.db2.gz UVHCZWPGRFPMGG-OAHLLOKOSA-N 2 1 308.466 3.017 20 0 DGADMP CC(C)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655758015 435780894 /nfs/dbraw/zinc/78/08/94/435780894.db2.gz ZVBBXZFBBLCEDP-LJQANCHMSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655758014 435781540 /nfs/dbraw/zinc/78/15/40/435781540.db2.gz ZVBBXZFBBLCEDP-IBGZPJMESA-N 2 1 302.462 3.153 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655764487 435782720 /nfs/dbraw/zinc/78/27/20/435782720.db2.gz IUGNRVDRICCIER-MISYRCLQSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000655764838 435783077 /nfs/dbraw/zinc/78/30/77/435783077.db2.gz SOFWPQMOOJZWIY-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000646106963 435783526 /nfs/dbraw/zinc/78/35/26/435783526.db2.gz ZNVOEJHQBNXUPI-OAHLLOKOSA-N 2 1 322.880 3.240 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1C ZINC000655764750 435784659 /nfs/dbraw/zinc/78/46/59/435784659.db2.gz QTANYFKBMMJRRP-MTNOOBJLSA-N 2 1 308.510 3.292 20 0 DGADMP FC1(F)CCCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655769466 435785981 /nfs/dbraw/zinc/78/59/81/435785981.db2.gz ISMZHEHJDVDDHO-HOCLYGCPSA-N 2 1 316.436 3.045 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000641800229 435827655 /nfs/dbraw/zinc/82/76/55/435827655.db2.gz ZIMZSADMNWVNEE-KBPBESRZSA-N 2 1 301.459 3.118 20 0 DGADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551387055 435834240 /nfs/dbraw/zinc/83/42/40/435834240.db2.gz NIISTXAJQTWQMT-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCSc1ccc(F)cc1)C2 ZINC000660656758 435841793 /nfs/dbraw/zinc/84/17/93/435841793.db2.gz UOINMYFKDQQWQP-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccc(F)cc1)C2 ZINC000660656758 435841801 /nfs/dbraw/zinc/84/18/01/435841801.db2.gz UOINMYFKDQQWQP-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccc(F)cc1)C2 ZINC000660656758 435841807 /nfs/dbraw/zinc/84/18/07/435841807.db2.gz UOINMYFKDQQWQP-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP COc1ccc(Cl)cc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654356 435842800 /nfs/dbraw/zinc/84/28/00/435842800.db2.gz ZTAPSXVOLYQZTD-QGZVFWFLSA-N 2 1 308.853 3.266 20 0 DGADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000651845168 435843279 /nfs/dbraw/zinc/84/32/79/435843279.db2.gz FAYVDBDYDTVBCX-QYZOEREBSA-N 2 1 318.505 3.373 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCOCCc1ccccc1)C2 ZINC000660655485 435843348 /nfs/dbraw/zinc/84/33/48/435843348.db2.gz NTBLDDBIOJVOOF-FQEVSTJZSA-N 2 1 316.489 3.054 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCc1c(F)cccc1Cl)C2 ZINC000660658673 435844420 /nfs/dbraw/zinc/84/44/20/435844420.db2.gz ITGTWXXKJQHSEL-QGZVFWFLSA-N 2 1 310.844 3.439 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000651866062 435849002 /nfs/dbraw/zinc/84/90/02/435849002.db2.gz SOHPYLUEZWNYGK-UHFFFAOYSA-N 2 1 320.506 3.216 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000651866062 435849010 /nfs/dbraw/zinc/84/90/10/435849010.db2.gz SOHPYLUEZWNYGK-UHFFFAOYSA-N 2 1 320.506 3.216 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000651866885 435849056 /nfs/dbraw/zinc/84/90/56/435849056.db2.gz UUGZNKVAXMSFSO-UHFFFAOYSA-N 2 1 300.393 3.356 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000651866885 435849062 /nfs/dbraw/zinc/84/90/62/435849062.db2.gz UUGZNKVAXMSFSO-UHFFFAOYSA-N 2 1 300.393 3.356 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000651865877 435850719 /nfs/dbraw/zinc/85/07/19/435850719.db2.gz LADVNUUIPNANBF-OAHLLOKOSA-N 2 1 305.466 3.274 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000651865877 435850722 /nfs/dbraw/zinc/85/07/22/435850722.db2.gz LADVNUUIPNANBF-OAHLLOKOSA-N 2 1 305.466 3.274 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000551803321 435853329 /nfs/dbraw/zinc/85/33/29/435853329.db2.gz SOFTUEQVWHKYCF-UHFFFAOYSA-N 2 1 318.509 3.326 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNCc2nc3ccc(Cl)cc3n2C)C1 ZINC000551887411 435858877 /nfs/dbraw/zinc/85/88/77/435858877.db2.gz QGZGIBHNZDYLJV-CYBMUJFWSA-N 2 1 320.868 3.047 20 0 DGADMP CC[C@H](OCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000651908640 435861982 /nfs/dbraw/zinc/86/19/82/435861982.db2.gz KHIPQZZCPYQJKE-QRQLOZEOSA-N 2 1 304.478 3.474 20 0 DGADMP CCCn1cc(C[NH2+]CCC[N@H+](CC)C2CCCCC2)cn1 ZINC000651910153 435862548 /nfs/dbraw/zinc/86/25/48/435862548.db2.gz ITQROXMMNMWBKS-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP CCCn1cc(C[NH2+]CCC[N@@H+](CC)C2CCCCC2)cn1 ZINC000651910153 435862552 /nfs/dbraw/zinc/86/25/52/435862552.db2.gz ITQROXMMNMWBKS-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000656194964 435909673 /nfs/dbraw/zinc/90/96/73/435909673.db2.gz VIYHJVMEZDONBG-ZOBUZTSGSA-N 2 1 318.461 3.419 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000652222576 435926697 /nfs/dbraw/zinc/92/66/97/435926697.db2.gz RUPLCDHXNIRJEM-MRXNPFEDSA-N 2 1 319.493 3.017 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000652222576 435926701 /nfs/dbraw/zinc/92/67/01/435926701.db2.gz RUPLCDHXNIRJEM-MRXNPFEDSA-N 2 1 319.493 3.017 20 0 DGADMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000665276972 435936813 /nfs/dbraw/zinc/93/68/13/435936813.db2.gz QJTLVLWNARLLJM-XGTXGMFGSA-N 2 1 309.251 3.242 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCCS2 ZINC000665248310 435929341 /nfs/dbraw/zinc/92/93/41/435929341.db2.gz UUNKQEDQXQOYNI-HNNXBMFYSA-N 2 1 306.475 3.483 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)Cc1cnccn1)C1CCCCC1 ZINC000652237904 435931471 /nfs/dbraw/zinc/93/14/71/435931471.db2.gz KEZACSTWIQEIDV-MRXNPFEDSA-N 2 1 304.482 3.042 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC2CCC2)cc1F ZINC000665259600 435932225 /nfs/dbraw/zinc/93/22/25/435932225.db2.gz JWHWAPGKBLXEIP-SKDZVZGDSA-N 2 1 320.452 3.448 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000652358615 435959526 /nfs/dbraw/zinc/95/95/26/435959526.db2.gz XFKHKHIFOWSLHM-IBGZPJMESA-N 2 1 316.489 3.482 20 0 DGADMP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3CCC3CC[NH2+]CC3)O2)cc1 ZINC000652364383 435959703 /nfs/dbraw/zinc/95/97/03/435959703.db2.gz MLWOPQFUFVYSIG-UFYCRDLUSA-N 2 1 314.473 3.371 20 0 DGADMP CC(C)Cn1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000647171471 435960763 /nfs/dbraw/zinc/96/07/63/435960763.db2.gz LDWZEYNLJZUJLD-KRWDZBQOSA-N 2 1 306.498 3.283 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000650703844 435994517 /nfs/dbraw/zinc/99/45/17/435994517.db2.gz UWQLVFSPSJBKGF-LSDHHAIUSA-N 2 1 306.425 3.046 20 0 DGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708395 435994874 /nfs/dbraw/zinc/99/48/74/435994874.db2.gz ZCJJPBFRIHVBKC-FCEWJHQRSA-N 2 1 320.452 3.106 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000656640828 435989319 /nfs/dbraw/zinc/98/93/19/435989319.db2.gz TWMYBGVNOKDARC-INIZCTEOSA-N 2 1 316.489 3.480 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249174 435992782 /nfs/dbraw/zinc/99/27/82/435992782.db2.gz HCMIGYFYEJGZDE-FYQPLNBISA-N 2 1 316.489 3.125 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000647249262 435993946 /nfs/dbraw/zinc/99/39/46/435993946.db2.gz OCVNHNHLMYAACL-BJZITVGISA-N 2 1 313.420 3.217 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000647249262 435993948 /nfs/dbraw/zinc/99/39/48/435993948.db2.gz OCVNHNHLMYAACL-BJZITVGISA-N 2 1 313.420 3.217 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000647151155 435950553 /nfs/dbraw/zinc/95/05/53/435950553.db2.gz YRHPFTSGUSPAGP-MRXNPFEDSA-N 2 1 314.433 3.393 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000652348619 435956519 /nfs/dbraw/zinc/95/65/19/435956519.db2.gz KPONLNMZGQBTPY-JZGRTCEGSA-N 2 1 318.436 3.031 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)[C@H]1CC[NH3+] ZINC000652355664 435956918 /nfs/dbraw/zinc/95/69/18/435956918.db2.gz CIKQLEFKROMASN-CJNGLKHVSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)[C@H]1CC[NH3+] ZINC000652355664 435956920 /nfs/dbraw/zinc/95/69/20/435956920.db2.gz CIKQLEFKROMASN-CJNGLKHVSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652348914 435957372 /nfs/dbraw/zinc/95/73/72/435957372.db2.gz WAKZVMVCFYGYCV-FQBWVUSXSA-N 2 1 308.510 3.421 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@H]1CC[NH3+] ZINC000650711060 435997884 /nfs/dbraw/zinc/99/78/84/435997884.db2.gz HIIARVDZFQJFEB-YJBOKZPZSA-N 2 1 310.445 3.093 20 0 DGADMP CCOCc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OC ZINC000650711100 435998416 /nfs/dbraw/zinc/99/84/16/435998416.db2.gz ISQGFHNATVUACY-CRAIPNDOSA-N 2 1 320.477 3.181 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)[C@@H]1CC[NH3+] ZINC000650711016 435998841 /nfs/dbraw/zinc/99/88/41/435998841.db2.gz GKWVZLBGWOUIRG-CZUORRHYSA-N 2 1 316.474 3.154 20 0 DGADMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2s1 ZINC000650709527 435999801 /nfs/dbraw/zinc/99/98/01/435999801.db2.gz DKTLLJSYHKYIJC-YOEHRIQHSA-N 2 1 301.459 3.166 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000650722509 436005327 /nfs/dbraw/zinc/00/53/27/436005327.db2.gz VVTMELPZZGVCSD-IKGGRYGDSA-N 2 1 308.853 3.201 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000650722262 436006133 /nfs/dbraw/zinc/00/61/33/436006133.db2.gz ODPDUHJOUWQYON-SUMDDJOVSA-N 2 1 314.429 3.294 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C\c2ccc(F)cc2)C1 ZINC000650723030 436007981 /nfs/dbraw/zinc/00/79/81/436007981.db2.gz GMCWYGQFIAQBDA-MDNVCMEISA-N 2 1 318.436 3.200 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723418 436009070 /nfs/dbraw/zinc/00/90/70/436009070.db2.gz NNFHLLPUCDXINA-IPMKNSEASA-N 2 1 302.462 3.164 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1 ZINC000656698954 436012780 /nfs/dbraw/zinc/01/27/80/436012780.db2.gz DFPAUIQAEILGMC-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000656698954 436012781 /nfs/dbraw/zinc/01/27/81/436012781.db2.gz DFPAUIQAEILGMC-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000656698954 436012785 /nfs/dbraw/zinc/01/27/85/436012785.db2.gz DFPAUIQAEILGMC-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650746679 436015190 /nfs/dbraw/zinc/01/51/90/436015190.db2.gz IHAILPVPRSNJAQ-UHFFFAOYSA-N 3 1 315.505 3.148 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)c(F)c1 ZINC000650754379 436020359 /nfs/dbraw/zinc/02/03/59/436020359.db2.gz HQEXHZOGJWTMHN-QGZVFWFLSA-N 2 1 324.346 3.040 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000647336309 436020859 /nfs/dbraw/zinc/02/08/59/436020859.db2.gz UWCADYBXNKVPIT-ONCXSQPRSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000647336309 436020864 /nfs/dbraw/zinc/02/08/64/436020864.db2.gz UWCADYBXNKVPIT-ONCXSQPRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000647344801 436024337 /nfs/dbraw/zinc/02/43/37/436024337.db2.gz ZNEDWYPJZCQJEA-ZTNFWEORSA-N 2 1 310.441 3.388 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000647344149 436025785 /nfs/dbraw/zinc/02/57/85/436025785.db2.gz KDQNAKVGWRBNAI-HSALFYBXSA-N 2 1 309.457 3.468 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000647344004 436026403 /nfs/dbraw/zinc/02/64/03/436026403.db2.gz HNBNLRXFESYWKO-DJKXOVBDSA-N 2 1 324.472 3.089 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000647344004 436026408 /nfs/dbraw/zinc/02/64/08/436026408.db2.gz HNBNLRXFESYWKO-DJKXOVBDSA-N 2 1 324.472 3.089 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000656784402 436042527 /nfs/dbraw/zinc/04/25/27/436042527.db2.gz DAZDWFKCAFFPLX-IBGZPJMESA-N 2 1 324.472 3.084 20 0 DGADMP c1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)[nH]nc1-c1ccccc1 ZINC000656782646 436042989 /nfs/dbraw/zinc/04/29/89/436042989.db2.gz ICEZPVIKOBSPDI-SFHVURJKSA-N 2 1 324.472 3.288 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n(-c2ccccc2)n1 ZINC000656782412 436043366 /nfs/dbraw/zinc/04/33/66/436043366.db2.gz GJEHPWHZBJKHQG-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP c1sc(C2CC2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784707 436044739 /nfs/dbraw/zinc/04/47/39/436044739.db2.gz GCTJJZSUDANKKQ-OAHLLOKOSA-N 2 1 305.491 3.232 20 0 DGADMP COCc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785912 436045244 /nfs/dbraw/zinc/04/52/44/436045244.db2.gz NDNPIBFEDHXJJO-IBGZPJMESA-N 2 1 302.462 3.045 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000650706952 435995619 /nfs/dbraw/zinc/99/56/19/435995619.db2.gz VVQRKEJOPGBNRH-FRQCXROJSA-N 2 1 314.429 3.151 20 0 DGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708394 435996021 /nfs/dbraw/zinc/99/60/21/435996021.db2.gz ZCJJPBFRIHVBKC-BXWFABGCSA-N 2 1 320.452 3.106 20 0 DGADMP CCCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650708182 435996563 /nfs/dbraw/zinc/99/65/63/435996563.db2.gz UZVHZGMPPXCZLG-UFYCRDLUSA-N 2 1 316.489 3.357 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480733 436059518 /nfs/dbraw/zinc/05/95/18/436059518.db2.gz YCGWNUNDKFRYAO-RDJZCZTQSA-N 2 1 324.415 3.295 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480912 436060093 /nfs/dbraw/zinc/06/00/93/436060093.db2.gz ARBFYPRBCCZBQE-DLBZAZTESA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480912 436060097 /nfs/dbraw/zinc/06/00/97/436060097.db2.gz ARBFYPRBCCZBQE-DLBZAZTESA-N 2 1 318.461 3.058 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647490822 436064207 /nfs/dbraw/zinc/06/42/07/436064207.db2.gz SPNOWXCNQDEDGP-KRWDZBQOSA-N 2 1 314.404 3.185 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000647496727 436065080 /nfs/dbraw/zinc/06/50/80/436065080.db2.gz IWNVSTSBULXZHE-ZOBUZTSGSA-N 2 1 320.477 3.432 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cccc1OCC ZINC000647498808 436065211 /nfs/dbraw/zinc/06/52/11/436065211.db2.gz RGLMXRVERAGGJR-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cccc1OCC ZINC000647498808 436065214 /nfs/dbraw/zinc/06/52/14/436065214.db2.gz RGLMXRVERAGGJR-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498384 436065931 /nfs/dbraw/zinc/06/59/31/436065931.db2.gz GJYSXKCEPRHTTP-LRDDRELGSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498384 436065939 /nfs/dbraw/zinc/06/59/39/436065939.db2.gz GJYSXKCEPRHTTP-LRDDRELGSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647498554 436066473 /nfs/dbraw/zinc/06/64/73/436066473.db2.gz JZMFDVSALCMRCJ-QFBILLFUSA-N 2 1 312.461 3.048 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cccc(OC)c2OC(C)C)CC[C@H]1[NH3+] ZINC000647498275 436066697 /nfs/dbraw/zinc/06/66/97/436066697.db2.gz DMQHGBQOXAAYMG-GDBMZVCRSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2OC(C)C)CC[C@H]1[NH3+] ZINC000647498275 436066699 /nfs/dbraw/zinc/06/66/99/436066699.db2.gz DMQHGBQOXAAYMG-GDBMZVCRSA-N 2 1 306.450 3.042 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498496 436067250 /nfs/dbraw/zinc/06/72/50/436067250.db2.gz IZQAYQCNAOTFKF-DLBZAZTESA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498496 436067256 /nfs/dbraw/zinc/06/72/56/436067256.db2.gz IZQAYQCNAOTFKF-DLBZAZTESA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647499010 436068695 /nfs/dbraw/zinc/06/86/95/436068695.db2.gz WRPHRCUACDNTRG-USXIJHARSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647499010 436068698 /nfs/dbraw/zinc/06/86/98/436068698.db2.gz WRPHRCUACDNTRG-USXIJHARSA-N 2 1 320.477 3.432 20 0 DGADMP C[C@H](C[NH+]1CCC(C)([NH3+])CC1)c1cccc(Br)c1 ZINC000647531179 436073797 /nfs/dbraw/zinc/07/37/97/436073797.db2.gz FSPMBFKTPPVCMF-GFCCVEGCSA-N 2 1 311.267 3.366 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543994 436076864 /nfs/dbraw/zinc/07/68/64/436076864.db2.gz VJBMSPRZUAFXAJ-OALUTQOASA-N 2 1 324.472 3.084 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543010 436077186 /nfs/dbraw/zinc/07/71/86/436077186.db2.gz GLTKLKGXCBJKPU-HOTGVXAUSA-N 2 1 324.415 3.500 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543842 436077525 /nfs/dbraw/zinc/07/75/25/436077525.db2.gz STXOVNVNZLGHAE-GJZGRUSLSA-N 2 1 307.507 3.478 20 0 DGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543488 436078126 /nfs/dbraw/zinc/07/81/26/436078126.db2.gz OHYUROQNEPOTJY-ZWKOTPCHSA-N 2 1 309.457 3.446 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543449 436078412 /nfs/dbraw/zinc/07/84/12/436078412.db2.gz NRJUANZQSPEGIJ-CABCVRRESA-N 2 1 305.491 3.232 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)c1 ZINC000647543744 436078905 /nfs/dbraw/zinc/07/89/05/436078905.db2.gz RPHKJMOMKQGEQJ-RTBURBONSA-N 2 1 324.472 3.084 20 0 DGADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543086 436078962 /nfs/dbraw/zinc/07/89/62/436078962.db2.gz HMLMCIPNIZIVIY-GJZGRUSLSA-N 2 1 305.491 3.232 20 0 DGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC2([NH3+])CCCCCC2)o1 ZINC000647546421 436080023 /nfs/dbraw/zinc/08/00/23/436080023.db2.gz JNKFVMWSDMABOI-UHFFFAOYSA-N 2 1 316.449 3.130 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000647544407 436081460 /nfs/dbraw/zinc/08/14/60/436081460.db2.gz ZZRAIQXYXVVKFF-ZWKOTPCHSA-N 2 1 324.472 3.288 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000647551530 436083015 /nfs/dbraw/zinc/08/30/15/436083015.db2.gz TVOLUKSXSOAAAO-ZOWXZIJZSA-N 2 1 300.368 3.397 20 0 DGADMP CCCOc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814585 436126966 /nfs/dbraw/zinc/12/69/66/436126966.db2.gz UUSRXYLJADNHPV-UHFFFAOYSA-N 2 1 318.461 3.071 20 0 DGADMP c1cc2c(cc[nH+]c2NCc2ccccc2C[NH+]2CCOCC2)[nH]1 ZINC000647850029 436134245 /nfs/dbraw/zinc/13/42/45/436134245.db2.gz XABMUTKYCFHOGR-UHFFFAOYSA-N 2 1 322.412 3.007 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](c2ccccc2)O1 ZINC000647882225 436140604 /nfs/dbraw/zinc/14/06/04/436140604.db2.gz XXHMCKXZOOZARF-VQIMIIECSA-N 2 1 302.462 3.228 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657335215 436143245 /nfs/dbraw/zinc/14/32/45/436143245.db2.gz NILPTZUNGCJRCF-GFCCVEGCSA-N 2 1 316.367 3.247 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657335215 436143248 /nfs/dbraw/zinc/14/32/48/436143248.db2.gz NILPTZUNGCJRCF-GFCCVEGCSA-N 2 1 316.367 3.247 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647936853 436153149 /nfs/dbraw/zinc/15/31/49/436153149.db2.gz MENJGEGDOWDFND-IUODEOHRSA-N 2 1 316.367 3.143 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000647961308 436161724 /nfs/dbraw/zinc/16/17/24/436161724.db2.gz AGBRIGSLNOGJOM-LJQANCHMSA-N 2 1 314.473 3.015 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000647961308 436161732 /nfs/dbraw/zinc/16/17/32/436161732.db2.gz AGBRIGSLNOGJOM-LJQANCHMSA-N 2 1 314.473 3.015 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCc1cccc2ccccc21 ZINC000647961308 436161736 /nfs/dbraw/zinc/16/17/36/436161736.db2.gz AGBRIGSLNOGJOM-LJQANCHMSA-N 2 1 314.473 3.015 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000647961308 436161741 /nfs/dbraw/zinc/16/17/41/436161741.db2.gz AGBRIGSLNOGJOM-LJQANCHMSA-N 2 1 314.473 3.015 20 0 DGADMP Cc1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)CC2CC2)cn1 ZINC000647995442 436172975 /nfs/dbraw/zinc/17/29/75/436172975.db2.gz ZBEIHKMSEFJAIV-UHFFFAOYSA-N 2 1 301.478 3.382 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1c(C2CCC2)cnn1C)C(C)C ZINC000657382119 436167839 /nfs/dbraw/zinc/16/78/39/436167839.db2.gz IAIHMYFGLLKZBV-UHFFFAOYSA-N 2 1 306.498 3.286 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CO1 ZINC000657388907 436174336 /nfs/dbraw/zinc/17/43/36/436174336.db2.gz QDWSDPMODIVOKV-OQIJWPOYSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CO1 ZINC000657388907 436174342 /nfs/dbraw/zinc/17/43/42/436174342.db2.gz QDWSDPMODIVOKV-OQIJWPOYSA-N 2 1 302.462 3.197 20 0 DGADMP c1[nH+]c2n(c1CNc1ccc(CC[NH+]3CCCC3)cc1)CCC2 ZINC000657406295 436183081 /nfs/dbraw/zinc/18/30/81/436183081.db2.gz YZFRYHQQSRKJHL-UHFFFAOYSA-N 2 1 310.445 3.080 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657416181 436188466 /nfs/dbraw/zinc/18/84/66/436188466.db2.gz RAUWJSPAPPKKEE-RSPOEFSDSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(C)(C)C)s1)CCO2 ZINC000648071617 436203217 /nfs/dbraw/zinc/20/32/17/436203217.db2.gz LLTBPHGSRFAWHE-UHFFFAOYSA-N 2 1 322.518 3.342 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(C)(C)C)s1)CCO2 ZINC000648071617 436203219 /nfs/dbraw/zinc/20/32/19/436203219.db2.gz LLTBPHGSRFAWHE-UHFFFAOYSA-N 2 1 322.518 3.342 20 0 DGADMP Cc1cccc2[nH]c(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cc21 ZINC000657447699 436208030 /nfs/dbraw/zinc/20/80/30/436208030.db2.gz GGUINJDVGVKLRV-INIZCTEOSA-N 2 1 315.461 3.067 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602304 436222068 /nfs/dbraw/zinc/22/20/68/436222068.db2.gz YISSYAAYTUQUOQ-IAGOWNOFSA-N 2 1 310.457 3.205 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602304 436222071 /nfs/dbraw/zinc/22/20/71/436222071.db2.gz YISSYAAYTUQUOQ-IAGOWNOFSA-N 2 1 310.457 3.205 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657491919 436225194 /nfs/dbraw/zinc/22/51/94/436225194.db2.gz NFSSSZUVCNCXJQ-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP C[C@@H](O)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000653902903 436295420 /nfs/dbraw/zinc/29/54/20/436295420.db2.gz ADPUFTABVKLIDY-MRXNPFEDSA-N 2 1 302.462 3.018 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000666857985 436295593 /nfs/dbraw/zinc/29/55/93/436295593.db2.gz RYTTYERVICAVRB-JTQLQIEISA-N 2 1 303.269 3.051 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000657751285 436295731 /nfs/dbraw/zinc/29/57/31/436295731.db2.gz OYGWUKWQPIAVDC-RDTXWAMCSA-N 2 1 322.880 3.286 20 0 DGADMP C[N@H+]1CCCC[C@H]1CCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653910165 436296964 /nfs/dbraw/zinc/29/69/64/436296964.db2.gz UTADVCUBYAYCFV-ZWKOTPCHSA-N 2 1 313.445 3.422 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000657701859 436282361 /nfs/dbraw/zinc/28/23/61/436282361.db2.gz CPPQUTVFSFEVSL-WCXIOVBPSA-N 2 1 306.494 3.329 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657772271 436300143 /nfs/dbraw/zinc/30/01/43/436300143.db2.gz LGTFDKFIDKTORJ-NZSAHSFTSA-N 2 1 314.473 3.056 20 0 DGADMP Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771249 436300634 /nfs/dbraw/zinc/30/06/34/436300634.db2.gz GHTQGAQTEJVSGB-LJQANCHMSA-N 2 1 323.484 3.417 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000657786603 436305228 /nfs/dbraw/zinc/30/52/28/436305228.db2.gz OCVLSLZMTIYOBD-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657786603 436305229 /nfs/dbraw/zinc/30/52/29/436305229.db2.gz OCVLSLZMTIYOBD-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cc2ccccc2o1 ZINC000662255616 436313657 /nfs/dbraw/zinc/31/36/57/436313657.db2.gz YWMLBLULVAISDZ-HOCLYGCPSA-N 2 1 314.429 3.337 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662258279 436314514 /nfs/dbraw/zinc/31/45/14/436314514.db2.gz VFVGAVDLCHOGDP-IEBWSBKVSA-N 2 1 314.473 3.351 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252699 436314592 /nfs/dbraw/zinc/31/45/92/436314592.db2.gz RXFPVXJDYYWKQW-LJQANCHMSA-N 2 1 310.441 3.183 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000662254374 436315180 /nfs/dbraw/zinc/31/51/80/436315180.db2.gz PSGFSRCKVAPNKY-IERDGZPVSA-N 2 1 322.452 3.294 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](CC)c1ccccc1 ZINC000662251822 436315206 /nfs/dbraw/zinc/31/52/06/436315206.db2.gz JZBLQGDYGZYDNZ-ZWKOTPCHSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000657816705 436315714 /nfs/dbraw/zinc/31/57/14/436315714.db2.gz KTLMTBOPLNWXAA-OXQOHEQNSA-N 2 1 316.489 3.495 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCCSCC1)C2 ZINC000657829330 436320654 /nfs/dbraw/zinc/32/06/54/436320654.db2.gz YLPWWCXVIOWPFL-SFHVURJKSA-N 2 1 304.503 3.310 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCCSCC1)C2 ZINC000657829330 436320659 /nfs/dbraw/zinc/32/06/59/436320659.db2.gz YLPWWCXVIOWPFL-SFHVURJKSA-N 2 1 304.503 3.310 20 0 DGADMP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000662277545 436320849 /nfs/dbraw/zinc/32/08/49/436320849.db2.gz VZFLIUQAMHPYRV-CRAIPNDOSA-N 2 1 320.502 3.251 20 0 DGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662273338 436321549 /nfs/dbraw/zinc/32/15/49/436321549.db2.gz MEQKFDQEPUAESG-SFHVURJKSA-N 2 1 316.489 3.171 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2O1 ZINC000666995080 436321966 /nfs/dbraw/zinc/32/19/66/436321966.db2.gz CKOGDNJXBDTPLW-MRXNPFEDSA-N 2 1 300.446 3.164 20 0 DGADMP COc1cccc(SCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000662277549 436322008 /nfs/dbraw/zinc/32/20/08/436322008.db2.gz VZFLIUQAMHPYRV-YJBOKZPZSA-N 2 1 320.502 3.251 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997142 436322248 /nfs/dbraw/zinc/32/22/48/436322248.db2.gz YSYDKYUNYKEMRS-HNNXBMFYSA-N 2 1 304.482 3.019 20 0 DGADMP COc1ccc2oc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC000666995577 436322362 /nfs/dbraw/zinc/32/23/62/436322362.db2.gz SJNCNLHOPLNPOQ-AWEZNQCLSA-N 2 1 300.402 3.206 20 0 DGADMP Clc1ccccc1C[N@@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281449 436323203 /nfs/dbraw/zinc/32/32/03/436323203.db2.gz XADALXXNTISNAB-INIZCTEOSA-N 2 1 320.864 3.073 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662283304 436323327 /nfs/dbraw/zinc/32/33/27/436323327.db2.gz HGPYHCAFJIUJGL-KBUPBQIOSA-N 2 1 304.425 3.029 20 0 DGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294084 436326422 /nfs/dbraw/zinc/32/64/22/436326422.db2.gz OWZZBNXMERGXPS-CRAIPNDOSA-N 2 1 302.462 3.468 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662311502 436327343 /nfs/dbraw/zinc/32/73/43/436327343.db2.gz UAAWILRMSSWDCV-RHSMWYFYSA-N 2 1 322.880 3.492 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1F ZINC000662304914 436327693 /nfs/dbraw/zinc/32/76/93/436327693.db2.gz DHZQULPWNMOXET-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662314238 436329105 /nfs/dbraw/zinc/32/91/05/436329105.db2.gz CARHCXSVTJQBQR-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662314238 436329106 /nfs/dbraw/zinc/32/91/06/436329106.db2.gz CARHCXSVTJQBQR-KEYYUXOJSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)[C@@H]1CCC[NH3+] ZINC000662314308 436329667 /nfs/dbraw/zinc/32/96/67/436329667.db2.gz PSGXSDCRICOOOE-VQIMIIECSA-N 2 1 312.461 3.212 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326280 436330765 /nfs/dbraw/zinc/33/07/65/436330765.db2.gz YMKIWOLOOORADV-KBXCAEBGSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CCO1 ZINC000662326280 436330767 /nfs/dbraw/zinc/33/07/67/436330767.db2.gz YMKIWOLOOORADV-KBXCAEBGSA-N 2 1 322.880 3.370 20 0 DGADMP C1=CCC(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1 ZINC000662327082 436330815 /nfs/dbraw/zinc/33/08/15/436330815.db2.gz IJWAQNQUPHAEPP-UHFFFAOYSA-N 2 1 314.477 3.022 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)CCO1 ZINC000662326710 436331123 /nfs/dbraw/zinc/33/11/23/436331123.db2.gz ZJQLCKPBPJTRJN-SSGOSMAHSA-N 2 1 302.462 3.133 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC000662326285 436331297 /nfs/dbraw/zinc/33/12/97/436331297.db2.gz QJNFUIDQRGSZGW-LJQANCHMSA-N 2 1 302.462 3.107 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC000662326285 436331301 /nfs/dbraw/zinc/33/13/01/436331301.db2.gz QJNFUIDQRGSZGW-LJQANCHMSA-N 2 1 302.462 3.107 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)n1 ZINC000662324448 436331577 /nfs/dbraw/zinc/33/15/77/436331577.db2.gz YGNMKMPHDSOJAQ-AWEZNQCLSA-N 2 1 306.454 3.056 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)n1 ZINC000662324448 436331580 /nfs/dbraw/zinc/33/15/80/436331580.db2.gz YGNMKMPHDSOJAQ-AWEZNQCLSA-N 2 1 306.454 3.056 20 0 DGADMP C[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055391 436360332 /nfs/dbraw/zinc/36/03/32/436360332.db2.gz IFINOQFFGQTLOA-UKRRQHHQSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055391 436360336 /nfs/dbraw/zinc/36/03/36/436360336.db2.gz IFINOQFFGQTLOA-UKRRQHHQSA-N 2 1 307.457 3.415 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000658096693 436375400 /nfs/dbraw/zinc/37/54/00/436375400.db2.gz OAVDYFDGAFKHSG-LWYYNNOASA-N 2 1 314.473 3.056 20 0 DGADMP Cc1ccncc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658124487 436382123 /nfs/dbraw/zinc/38/21/23/436382123.db2.gz BRDQTYIMMMSGIC-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP OCC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000662748983 436384184 /nfs/dbraw/zinc/38/41/84/436384184.db2.gz RQCXFHGBSQWSGX-SFHVURJKSA-N 2 1 316.489 3.267 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137601 436384614 /nfs/dbraw/zinc/38/46/14/436384614.db2.gz KIYKSIYGBKINIO-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658140791 436386023 /nfs/dbraw/zinc/38/60/23/436386023.db2.gz VMUWZCLAHJSWEM-HSALFYBXSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658140634 436386189 /nfs/dbraw/zinc/38/61/89/436386189.db2.gz VRXSPJLGCGZOAC-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP CCCC(CCC)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658144039 436386705 /nfs/dbraw/zinc/38/67/05/436386705.db2.gz KBWPGJVBGFTTIC-LJQANCHMSA-N 2 1 304.478 3.312 20 0 DGADMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658141576 436386981 /nfs/dbraw/zinc/38/69/81/436386981.db2.gz XAASNCPNFFIVKT-WOJBJXKFSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000658171029 436394199 /nfs/dbraw/zinc/39/41/99/436394199.db2.gz WBJNRGQQTAWWGE-LRDDRELGSA-N 2 1 321.371 3.256 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2ccccc21 ZINC000658211262 436400413 /nfs/dbraw/zinc/40/04/13/436400413.db2.gz CYOXZZUIELEMJG-HBFSDRIKSA-N 2 1 311.473 3.183 20 0 DGADMP CC[C@@H](COC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319452 436429376 /nfs/dbraw/zinc/42/93/76/436429376.db2.gz BDOQLQUFVJXWFB-MOPGFXCFSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000658320354 436429585 /nfs/dbraw/zinc/42/95/85/436429585.db2.gz SVVHESUUVNLFFK-QZTJIDSGSA-N 2 1 316.514 3.384 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658328829 436430679 /nfs/dbraw/zinc/43/06/79/436430679.db2.gz CCXMPEOFQXUPGT-WDSOQIARSA-N 2 1 316.489 3.302 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347782 436445394 /nfs/dbraw/zinc/44/53/94/436445394.db2.gz VGLUWKRQDCHIGH-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347782 436445397 /nfs/dbraw/zinc/44/53/97/436445397.db2.gz VGLUWKRQDCHIGH-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP C[C@H]1COCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663361774 436447811 /nfs/dbraw/zinc/44/78/11/436447811.db2.gz FJOVESNOEPCUBX-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP COc1cc2c(N[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2cc1F ZINC000663424578 436457589 /nfs/dbraw/zinc/45/75/89/436457589.db2.gz GKMLFIYFSZFQBU-NSHDSACASA-N 2 1 301.365 3.031 20 0 DGADMP FCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000663462072 436462276 /nfs/dbraw/zinc/46/22/76/436462276.db2.gz UXRBMCTZXVXHDL-GUDVDZBRSA-N 2 1 320.452 3.005 20 0 DGADMP CCn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000663467820 436465400 /nfs/dbraw/zinc/46/54/00/436465400.db2.gz ODHCBLAYBNBJNC-DOTOQJQBSA-N 2 1 304.482 3.036 20 0 DGADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000658253332 436412216 /nfs/dbraw/zinc/41/22/16/436412216.db2.gz LMOSSCWWXKWRCW-SJORKVTESA-N 2 1 306.494 3.329 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)CC1 ZINC000658287896 436418862 /nfs/dbraw/zinc/41/88/62/436418862.db2.gz KXCYTSFZBDIZQR-RTBURBONSA-N 2 1 304.478 3.209 20 0 DGADMP Cc1ccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655682412 436572788 /nfs/dbraw/zinc/57/27/88/436572788.db2.gz DVZNSCPULHJTQT-FQEVSTJZSA-N 2 1 316.489 3.079 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659989665 436574100 /nfs/dbraw/zinc/57/41/00/436574100.db2.gz QVMQIVMIDSXWRN-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659989665 436574102 /nfs/dbraw/zinc/57/41/02/436574102.db2.gz QVMQIVMIDSXWRN-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000659989665 436574104 /nfs/dbraw/zinc/57/41/04/436574104.db2.gz QVMQIVMIDSXWRN-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000659989665 436574106 /nfs/dbraw/zinc/57/41/06/436574106.db2.gz QVMQIVMIDSXWRN-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000659984271 436574644 /nfs/dbraw/zinc/57/46/44/436574644.db2.gz GWYIQIIJZINLJZ-KGLIPLIRSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2nsc3ccccc32)CC[N@H+]1C ZINC000659984271 436574647 /nfs/dbraw/zinc/57/46/47/436574647.db2.gz GWYIQIIJZINLJZ-KGLIPLIRSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984271 436574650 /nfs/dbraw/zinc/57/46/50/436574650.db2.gz GWYIQIIJZINLJZ-KGLIPLIRSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984271 436574654 /nfs/dbraw/zinc/57/46/54/436574654.db2.gz GWYIQIIJZINLJZ-KGLIPLIRSA-N 2 1 303.475 3.253 20 0 DGADMP c1ccc(CCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655692025 436575315 /nfs/dbraw/zinc/57/53/15/436575315.db2.gz CKATYSGIQMLZNY-FQEVSTJZSA-N 2 1 316.489 3.242 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CS1 ZINC000655691033 436576180 /nfs/dbraw/zinc/57/61/80/436576180.db2.gz BOMREWDBHLADIA-YJBOKZPZSA-N 2 1 304.503 3.309 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CS1 ZINC000655691033 436576184 /nfs/dbraw/zinc/57/61/84/436576184.db2.gz BOMREWDBHLADIA-YJBOKZPZSA-N 2 1 304.503 3.309 20 0 DGADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000660114733 436590326 /nfs/dbraw/zinc/59/03/26/436590326.db2.gz JZWDYJIELSPQMZ-YTQUADARSA-N 2 1 306.494 3.140 20 0 DGADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000660114733 436590330 /nfs/dbraw/zinc/59/03/30/436590330.db2.gz JZWDYJIELSPQMZ-YTQUADARSA-N 2 1 306.494 3.140 20 0 DGADMP CSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000660118747 436591672 /nfs/dbraw/zinc/59/16/72/436591672.db2.gz VWLWXDOOASFAKS-BPQIPLTHSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000660118747 436591674 /nfs/dbraw/zinc/59/16/74/436591674.db2.gz VWLWXDOOASFAKS-BPQIPLTHSA-N 2 1 320.502 3.092 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000660130547 436593285 /nfs/dbraw/zinc/59/32/85/436593285.db2.gz YGOBJLXXKABGFO-GFCCVEGCSA-N 2 1 323.412 3.280 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000660128441 436593560 /nfs/dbraw/zinc/59/35/60/436593560.db2.gz MGPFULIBXHMAJE-ZDUSSCGKSA-N 2 1 312.442 3.062 20 0 DGADMP COc1cccc(SCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000660167372 436598170 /nfs/dbraw/zinc/59/81/70/436598170.db2.gz QQPGYXFPXOTWSH-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP COc1cccc(SCC[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000660167372 436598173 /nfs/dbraw/zinc/59/81/73/436598173.db2.gz QQPGYXFPXOTWSH-UHFFFAOYSA-N 2 1 320.502 3.348 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000660177626 436599521 /nfs/dbraw/zinc/59/95/21/436599521.db2.gz DEGGAHBLPIIRSI-WCQYABFASA-N 2 1 319.276 3.345 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194442 436602205 /nfs/dbraw/zinc/60/22/05/436602205.db2.gz JITOPPABOCNENU-ROUUACIJSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194442 436602210 /nfs/dbraw/zinc/60/22/10/436602210.db2.gz JITOPPABOCNENU-ROUUACIJSA-N 2 1 324.896 3.472 20 0 DGADMP COc1ccccc1[C@H](CC(C)C)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000660199735 436603863 /nfs/dbraw/zinc/60/38/63/436603863.db2.gz CMFILKXXHXVHKM-AEFFLSMTSA-N 2 1 322.493 3.073 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000660200602 436604283 /nfs/dbraw/zinc/60/42/83/436604283.db2.gz SDCUQFCFVANWHL-WMZOPIPTSA-N 2 1 306.494 3.373 20 0 DGADMP C[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000660256638 436614581 /nfs/dbraw/zinc/61/45/81/436614581.db2.gz MNVFQPUTKRCQDR-ZSYWTGECSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256638 436614583 /nfs/dbraw/zinc/61/45/83/436614583.db2.gz MNVFQPUTKRCQDR-ZSYWTGECSA-N 2 1 321.553 3.207 20 0 DGADMP C[C@H](NCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256638 436614587 /nfs/dbraw/zinc/61/45/87/436614587.db2.gz MNVFQPUTKRCQDR-ZSYWTGECSA-N 2 1 321.553 3.207 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343884155 302175896 /nfs/dbraw/zinc/17/58/96/302175896.db2.gz DGIZBVQRPHMMRX-BJLQDIEVSA-N 2 1 315.505 3.014 20 0 DGADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000415129108 304854433 /nfs/dbraw/zinc/85/44/33/304854433.db2.gz YQWOGQOVJMZQIG-HXUWFJFHSA-N 2 1 315.505 3.294 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000179729527 312814882 /nfs/dbraw/zinc/81/48/82/312814882.db2.gz BCNWUWKBZOUZKZ-GOSISDBHSA-N 2 1 301.434 3.075 20 0 DGADMP COCCC1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000530206637 313339521 /nfs/dbraw/zinc/33/95/21/313339521.db2.gz BAIJKAKDCYXCRL-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccnc1C(F)(F)F)CC[NH2+]CC2 ZINC000530225552 313342968 /nfs/dbraw/zinc/34/29/68/313342968.db2.gz OKULTUKLAQJXCU-GFCCVEGCSA-N 2 1 313.367 3.064 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000530545650 313382350 /nfs/dbraw/zinc/38/23/50/313382350.db2.gz DSSZZRGFNOCALF-KSSFIOAISA-N 2 1 302.462 3.349 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187492 313525078 /nfs/dbraw/zinc/52/50/78/313525078.db2.gz BSUCBADDKVMLBZ-SJORKVTESA-N 2 1 323.550 3.451 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)cc(C)n1 ZINC000538570064 313868926 /nfs/dbraw/zinc/86/89/26/313868926.db2.gz MHGYPHNRKQSBSD-QFBILLFUSA-N 2 1 319.493 3.389 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000541221323 314001104 /nfs/dbraw/zinc/00/11/04/314001104.db2.gz DMIHUDMUSLHPHD-NVXWUHKLSA-N 2 1 310.507 3.112 20 0 DGADMP CC[C@@H]1C[C@H](C)C[NH+]1CC1(C[N@@H+]2C[C@@H](C)C[C@H]2CC)COC1 ZINC000542001465 314052485 /nfs/dbraw/zinc/05/24/85/314052485.db2.gz JXVXQCLUCNEWIE-WNRNVDISSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545279331 314240244 /nfs/dbraw/zinc/24/02/44/314240244.db2.gz DLUPVJWOFQELQM-WBVHZDCISA-N 2 1 321.534 3.205 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000546689528 314321943 /nfs/dbraw/zinc/32/19/43/314321943.db2.gz GNSBOFFXWUUCGL-KURKYZTESA-N 2 1 301.478 3.348 20 0 DGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1C[C@@H]1C ZINC000560880409 314947173 /nfs/dbraw/zinc/94/71/73/314947173.db2.gz OJWPKMRBLWTZJN-LUKYLMHMSA-N 2 1 321.534 3.061 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000562200539 315000045 /nfs/dbraw/zinc/00/00/45/315000045.db2.gz QGAIESZRIAAFSL-AWEZNQCLSA-N 2 1 310.844 3.439 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000562200539 315000047 /nfs/dbraw/zinc/00/00/47/315000047.db2.gz QGAIESZRIAAFSL-AWEZNQCLSA-N 2 1 310.844 3.439 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000563061401 315075292 /nfs/dbraw/zinc/07/52/92/315075292.db2.gz HYGDODVLTNNQKI-DLBZAZTESA-N 2 1 301.478 3.175 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120709 315080106 /nfs/dbraw/zinc/08/01/06/315080106.db2.gz FEZPDSWLOYHACA-GOSISDBHSA-N 2 1 309.457 3.312 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120709 315080108 /nfs/dbraw/zinc/08/01/08/315080108.db2.gz FEZPDSWLOYHACA-GOSISDBHSA-N 2 1 309.457 3.312 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)C1 ZINC000563135612 315082427 /nfs/dbraw/zinc/08/24/27/315082427.db2.gz RPUQWKPDQQGUKZ-JXFKEZNVSA-N 3 1 315.505 3.278 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000563350828 315104726 /nfs/dbraw/zinc/10/47/26/315104726.db2.gz ZVZAMTHGNLIRNF-DOTOQJQBSA-N 2 1 320.440 3.313 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000563688948 315131975 /nfs/dbraw/zinc/13/19/75/315131975.db2.gz CKKPDGLMOLCCAI-KBXCAEBGSA-N 2 1 314.477 3.252 20 0 DGADMP CN(CCC[N@@H+](C)C/C=C\c1ccc(Cl)cc1)CC[NH+](C)C ZINC000564150358 315159891 /nfs/dbraw/zinc/15/98/91/315159891.db2.gz AUEXGGOJHQSBNE-ALCCZGGFSA-N 2 1 323.912 3.169 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000565554241 315270642 /nfs/dbraw/zinc/27/06/42/315270642.db2.gz UCONFHGXQNVTSM-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000565554241 315270645 /nfs/dbraw/zinc/27/06/45/315270645.db2.gz UCONFHGXQNVTSM-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000565554241 315270648 /nfs/dbraw/zinc/27/06/48/315270648.db2.gz UCONFHGXQNVTSM-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COCC[NH+]1CCC([NH2+]CCc2cc3ccccc3s2)CC1 ZINC000565788223 315287805 /nfs/dbraw/zinc/28/78/05/315287805.db2.gz DURBXNMSSWROFI-UHFFFAOYSA-N 2 1 318.486 3.144 20 0 DGADMP COc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)c(F)c1 ZINC000565827435 315290517 /nfs/dbraw/zinc/29/05/17/315290517.db2.gz IQUZUMGJTWCXEV-QGZVFWFLSA-N 2 1 305.397 3.097 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000566499372 315353165 /nfs/dbraw/zinc/35/31/65/315353165.db2.gz RFNAIWDEZQSSQO-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000566678493 315367246 /nfs/dbraw/zinc/36/72/46/315367246.db2.gz FIQBIOVAELEEQJ-DLBZAZTESA-N 2 1 300.446 3.049 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000566678493 315367248 /nfs/dbraw/zinc/36/72/48/315367248.db2.gz FIQBIOVAELEEQJ-DLBZAZTESA-N 2 1 300.446 3.049 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000566812823 315376277 /nfs/dbraw/zinc/37/62/77/315376277.db2.gz SVBDXSZUYFKITG-YTBHAWNYSA-N 2 1 302.462 3.168 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000569833942 315606821 /nfs/dbraw/zinc/60/68/21/315606821.db2.gz LLVCMZQBUZAFGZ-IPYPFGDCSA-N 2 1 316.474 3.244 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000570800878 315675632 /nfs/dbraw/zinc/67/56/32/315675632.db2.gz AMYRJBXKNCKEBL-IRXDYDNUSA-N 2 1 324.472 3.244 20 0 DGADMP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(Cl)c1F ZINC000571642452 315735498 /nfs/dbraw/zinc/73/54/98/315735498.db2.gz NLVVRZMQBWUTOF-INIZCTEOSA-N 2 1 322.811 3.415 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169364 316102266 /nfs/dbraw/zinc/10/22/66/316102266.db2.gz HHKXIQDVWDYBSA-APWZRJJASA-N 2 1 304.478 3.162 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169364 316102267 /nfs/dbraw/zinc/10/22/67/316102267.db2.gz HHKXIQDVWDYBSA-APWZRJJASA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169364 316102269 /nfs/dbraw/zinc/10/22/69/316102269.db2.gz HHKXIQDVWDYBSA-APWZRJJASA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169364 316102271 /nfs/dbraw/zinc/10/22/71/316102271.db2.gz HHKXIQDVWDYBSA-APWZRJJASA-N 2 1 304.478 3.162 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802173 316169340 /nfs/dbraw/zinc/16/93/40/316169340.db2.gz JEHGLUHAPNLCRP-OXJNMPFZSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802173 316169343 /nfs/dbraw/zinc/16/93/43/316169343.db2.gz JEHGLUHAPNLCRP-OXJNMPFZSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802173 316169346 /nfs/dbraw/zinc/16/93/46/316169346.db2.gz JEHGLUHAPNLCRP-OXJNMPFZSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802173 316169349 /nfs/dbraw/zinc/16/93/49/316169349.db2.gz JEHGLUHAPNLCRP-OXJNMPFZSA-N 2 1 311.473 3.019 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCSC1 ZINC000577260328 316218577 /nfs/dbraw/zinc/21/85/77/316218577.db2.gz AXRFYFUMEBDZGU-KRWDZBQOSA-N 2 1 306.519 3.487 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562074 316247143 /nfs/dbraw/zinc/24/71/43/316247143.db2.gz PEEKGQIGRGHQHM-RDTXWAMCSA-N 2 1 301.409 3.223 20 0 DGADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000181989820 323279097 /nfs/dbraw/zinc/27/90/97/323279097.db2.gz FXUVPGHHNGTCGW-APWZRJJASA-N 2 1 318.461 3.229 20 0 DGADMP Cc1nccn1CCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754981 323395628 /nfs/dbraw/zinc/39/56/28/323395628.db2.gz QYOMCQPIQUGTLT-WMZOPIPTSA-N 2 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754981 323395631 /nfs/dbraw/zinc/39/56/31/323395631.db2.gz QYOMCQPIQUGTLT-WMZOPIPTSA-N 3 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754981 323395634 /nfs/dbraw/zinc/39/56/34/323395634.db2.gz QYOMCQPIQUGTLT-WMZOPIPTSA-N 3 1 318.509 3.214 20 0 DGADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000578433858 323732143 /nfs/dbraw/zinc/73/21/43/323732143.db2.gz MYEXSVSIJIKWED-BZUAXINKSA-N 2 1 305.466 3.336 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CCOCC3)C2)s1 ZINC000580571237 324014422 /nfs/dbraw/zinc/01/44/22/324014422.db2.gz CMMOWALHGIFWPC-KRWDZBQOSA-N 2 1 322.518 3.237 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H](c2nccn2C)C1)OCc1ccccc1 ZINC000581496492 324123496 /nfs/dbraw/zinc/12/34/96/324123496.db2.gz KCJFCJFRQWPTQW-AEFFLSMTSA-N 2 1 313.445 3.205 20 0 DGADMP CC[N@H+](CCCc1c[nH+]cn1C)CCOc1ccccc1C ZINC000581832253 324157682 /nfs/dbraw/zinc/15/76/82/324157682.db2.gz CPWJKHISVHIDQF-UHFFFAOYSA-N 2 1 301.434 3.062 20 0 DGADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCOc1ccccc1C ZINC000581832253 324157687 /nfs/dbraw/zinc/15/76/87/324157687.db2.gz CPWJKHISVHIDQF-UHFFFAOYSA-N 2 1 301.434 3.062 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000581913827 324167013 /nfs/dbraw/zinc/16/70/13/324167013.db2.gz BLDAQLJSKDMUIH-BBWFWOEESA-N 2 1 310.869 3.490 20 0 DGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1cccc(OC)c1 ZINC000582495114 324237006 /nfs/dbraw/zinc/23/70/06/324237006.db2.gz XSSDOVSCTOUFMF-OAHLLOKOSA-N 2 1 301.434 3.444 20 0 DGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1cccc(OC)c1 ZINC000582495114 324237008 /nfs/dbraw/zinc/23/70/08/324237008.db2.gz XSSDOVSCTOUFMF-OAHLLOKOSA-N 2 1 301.434 3.444 20 0 DGADMP C[N@H+]1CCC[C@@H](CN[C@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587907 324249037 /nfs/dbraw/zinc/24/90/37/324249037.db2.gz GPCJMDFMTNXWBL-WFASDCNBSA-N 2 1 310.388 3.110 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000583372047 324344651 /nfs/dbraw/zinc/34/46/51/324344651.db2.gz BKHYWQVUOSXUOI-ZIFCJYIRSA-N 2 1 316.489 3.338 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468172 324356946 /nfs/dbraw/zinc/35/69/46/324356946.db2.gz JZGKRRHRAZZGTA-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468172 324356950 /nfs/dbraw/zinc/35/69/50/324356950.db2.gz JZGKRRHRAZZGTA-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468172 324356952 /nfs/dbraw/zinc/35/69/52/324356952.db2.gz JZGKRRHRAZZGTA-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468172 324356955 /nfs/dbraw/zinc/35/69/55/324356955.db2.gz JZGKRRHRAZZGTA-GOEBONIOSA-N 2 1 305.491 3.327 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000584219658 331865066 /nfs/dbraw/zinc/86/50/66/331865066.db2.gz SOIMVNDCBIUMDF-GJZGRUSLSA-N 2 1 301.459 3.417 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000584305907 332235247 /nfs/dbraw/zinc/23/52/47/332235247.db2.gz JTBVBVIMUUCVAN-MRXNPFEDSA-N 2 1 312.461 3.205 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437324 337325130 /nfs/dbraw/zinc/32/51/30/337325130.db2.gz DHTOCRUHOBXNOJ-CXAGYDPISA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437324 337325131 /nfs/dbraw/zinc/32/51/31/337325131.db2.gz DHTOCRUHOBXNOJ-CXAGYDPISA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437324 337325132 /nfs/dbraw/zinc/32/51/32/337325132.db2.gz DHTOCRUHOBXNOJ-CXAGYDPISA-N 2 1 302.393 3.488 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Br)ccc1F ZINC000663498930 500626519 /nfs/dbraw/zinc/62/65/19/500626519.db2.gz USPBAAWYWRJADA-CYBMUJFWSA-N 2 1 303.219 3.051 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123031200 500811319 /nfs/dbraw/zinc/81/13/19/500811319.db2.gz VNZXQUPNVCHCAJ-MOPGFXCFSA-N 2 1 316.489 3.269 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000432786098 533743716 /nfs/dbraw/zinc/74/37/16/533743716.db2.gz NRZUCPBKYSKHOC-NVXWUHKLSA-N 2 1 322.468 3.429 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC(C)C ZINC000435438429 533790910 /nfs/dbraw/zinc/79/09/10/533790910.db2.gz PUGNKDRREXUFOH-MRXNPFEDSA-N 2 1 306.450 3.056 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2ccnc2)cc1 ZINC000295913010 533814358 /nfs/dbraw/zinc/81/43/58/533814358.db2.gz JHBAZQZBEZGKEV-NMACRGETSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000442754367 533843536 /nfs/dbraw/zinc/84/35/36/533843536.db2.gz IEBFFYMDKRUVOR-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP COc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084186 534047417 /nfs/dbraw/zinc/04/74/17/534047417.db2.gz OKEGVZRKGNCRON-RBUKOAKNSA-N 2 1 310.441 3.321 20 0 DGADMP C[C@@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429438016 534087916 /nfs/dbraw/zinc/08/79/16/534087916.db2.gz QVPLLUYVOUWJER-FHIRATQRSA-N 2 1 310.869 3.426 20 0 DGADMP C[C@]1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCC[NH2+]C1 ZINC000414917081 534175774 /nfs/dbraw/zinc/17/57/74/534175774.db2.gz QYFLGWPHMZGGEP-SFHVURJKSA-N 2 1 321.896 3.420 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+]CC[NH2+]C(C)(C)C ZINC000415113698 534248153 /nfs/dbraw/zinc/24/81/53/534248153.db2.gz FEPFNJNBLULUMG-LBPRGKRZSA-N 2 1 313.283 3.358 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)CC[NH2+]C1 ZINC000415076920 534267857 /nfs/dbraw/zinc/26/78/57/534267857.db2.gz GZJBYFIQBPNQSW-GOSISDBHSA-N 2 1 315.392 3.102 20 0 DGADMP CC(C)[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000354350326 517473666 /nfs/dbraw/zinc/47/36/66/517473666.db2.gz CAJIPWATENUGKY-UXHICEINSA-N 2 1 318.505 3.253 20 0 DGADMP Fc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1-c1cccs1 ZINC000415044059 534468274 /nfs/dbraw/zinc/46/82/74/534468274.db2.gz RYRMMRWLPDWBCL-CQSZACIVSA-N 2 1 320.433 3.022 20 0 DGADMP C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430936654 534469431 /nfs/dbraw/zinc/46/94/31/534469431.db2.gz VPPPPNGOGXPQDQ-XLIONFOSSA-N 2 1 324.468 3.462 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CCCC1 ZINC000415063933 534677610 /nfs/dbraw/zinc/67/76/10/534677610.db2.gz JGNCLJFTESPEGU-OAHLLOKOSA-N 2 1 316.367 3.235 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294993006 534711113 /nfs/dbraw/zinc/71/11/13/534711113.db2.gz HSOJUGRKIFZOFA-INIZCTEOSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294993006 534711120 /nfs/dbraw/zinc/71/11/20/534711120.db2.gz HSOJUGRKIFZOFA-INIZCTEOSA-N 2 1 315.486 3.453 20 0 DGADMP C[NH+](C)CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000163602195 524057400 /nfs/dbraw/zinc/05/74/00/524057400.db2.gz XESVZMIRWICIOI-UHFFFAOYSA-N 2 1 305.647 3.144 20 0 DGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415047234 534790848 /nfs/dbraw/zinc/79/08/48/534790848.db2.gz VUURQCHVTLEGTC-LJQANCHMSA-N 2 1 310.441 3.130 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000435625755 527168840 /nfs/dbraw/zinc/16/88/40/527168840.db2.gz MHXPQRCXTDZUJN-QGZVFWFLSA-N 2 1 302.462 3.388 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000435625755 527168843 /nfs/dbraw/zinc/16/88/43/527168843.db2.gz MHXPQRCXTDZUJN-QGZVFWFLSA-N 2 1 302.462 3.388 20 0 DGADMP CC(C)(CO)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccs1 ZINC000347726556 527219917 /nfs/dbraw/zinc/21/99/17/527219917.db2.gz YPCYKJIYHNASOE-MRXNPFEDSA-N 2 1 310.507 3.273 20 0 DGADMP CC(C)OC(=O)C[C@@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110267 527799763 /nfs/dbraw/zinc/79/97/63/527799763.db2.gz SIAQGHRCNBJCJF-KBAYOESNSA-N 2 1 318.461 3.190 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000429428345 527800971 /nfs/dbraw/zinc/80/09/71/527800971.db2.gz RBIUPZIMIQDWFQ-GRDNDAEWSA-N 2 1 310.869 3.427 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000178240020 527863111 /nfs/dbraw/zinc/86/31/11/527863111.db2.gz CJVILJUQGDVFSL-KDOFPFPSSA-N 2 1 311.429 3.338 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000178240020 527863117 /nfs/dbraw/zinc/86/31/17/527863117.db2.gz CJVILJUQGDVFSL-KDOFPFPSSA-N 2 1 311.429 3.338 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000429359092 528004647 /nfs/dbraw/zinc/00/46/47/528004647.db2.gz ZSHNYRSSNDXMMA-GOSISDBHSA-N 2 1 319.493 3.022 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415054021 528151084 /nfs/dbraw/zinc/15/10/84/528151084.db2.gz PJIKQURZNIDSBT-PKOBYXMFSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430116248 528152199 /nfs/dbraw/zinc/15/21/99/528152199.db2.gz BDIJBXMLRPMAKG-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430116248 528152209 /nfs/dbraw/zinc/15/22/09/528152209.db2.gz BDIJBXMLRPMAKG-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430116248 528152213 /nfs/dbraw/zinc/15/22/13/528152213.db2.gz BDIJBXMLRPMAKG-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CC(C)COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430116248 528152218 /nfs/dbraw/zinc/15/22/18/528152218.db2.gz BDIJBXMLRPMAKG-LJQANCHMSA-N 2 1 302.462 3.249 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000319280742 528241033 /nfs/dbraw/zinc/24/10/33/528241033.db2.gz YKCWLYOCZVMXNA-IBGZPJMESA-N 2 1 302.462 3.481 20 0 DGADMP CC[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435626711 528399717 /nfs/dbraw/zinc/39/97/17/528399717.db2.gz PCSJRGJRBPARHN-CQSZACIVSA-N 2 1 323.868 3.133 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000295024335 528955639 /nfs/dbraw/zinc/95/56/39/528955639.db2.gz CPOFZLZXOFIAON-IBGZPJMESA-N 2 1 322.468 3.237 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000429057308 528971882 /nfs/dbraw/zinc/97/18/82/528971882.db2.gz ZIYHMYFMZUPGPR-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000429057308 528971893 /nfs/dbraw/zinc/97/18/93/528971893.db2.gz ZIYHMYFMZUPGPR-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000442718997 529017942 /nfs/dbraw/zinc/01/79/42/529017942.db2.gz PJUCACQBRBNRBM-QRWLVFNGSA-N 2 1 311.473 3.345 20 0 DGADMP CCN1CC[NH+](Cc2ccc(CNc3cc[nH+]c(C)c3)cc2)CC1 ZINC000302289106 529148870 /nfs/dbraw/zinc/14/88/70/529148870.db2.gz KWFGASBQYXRQFO-UHFFFAOYSA-N 2 1 324.472 3.140 20 0 DGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000414070630 529157523 /nfs/dbraw/zinc/15/75/23/529157523.db2.gz CMMJUKZFMZEQDM-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(F)c1 ZINC000432416804 529161857 /nfs/dbraw/zinc/16/18/57/529161857.db2.gz SMAVDXRSEOANJX-CRAIPNDOSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(F)c1 ZINC000432416804 529161859 /nfs/dbraw/zinc/16/18/59/529161859.db2.gz SMAVDXRSEOANJX-CRAIPNDOSA-N 2 1 308.441 3.367 20 0 DGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305171897 529257392 /nfs/dbraw/zinc/25/73/92/529257392.db2.gz ZXPKFEFKCYWNBM-OAHLLOKOSA-N 2 1 322.518 3.296 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000470174307 535768644 /nfs/dbraw/zinc/76/86/44/535768644.db2.gz JUUUWWLFSBZZKY-HOCLYGCPSA-N 2 1 318.461 3.013 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472453750 535906580 /nfs/dbraw/zinc/90/65/80/535906580.db2.gz GFTYIQYNCABYOL-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472453750 535906583 /nfs/dbraw/zinc/90/65/83/535906583.db2.gz GFTYIQYNCABYOL-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472453750 535906588 /nfs/dbraw/zinc/90/65/88/535906588.db2.gz GFTYIQYNCABYOL-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP CCc1cccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472453750 535906592 /nfs/dbraw/zinc/90/65/92/535906592.db2.gz GFTYIQYNCABYOL-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP COCCCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000459438339 536884848 /nfs/dbraw/zinc/88/48/48/536884848.db2.gz LFQPFKMYEKZGJG-SFHVURJKSA-N 2 1 301.434 3.110 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000449337777 536894542 /nfs/dbraw/zinc/89/45/42/536894542.db2.gz COMHXIAYFXXNDD-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000449337777 536894544 /nfs/dbraw/zinc/89/45/44/536894544.db2.gz COMHXIAYFXXNDD-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc2ccccc2cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000449337777 536894550 /nfs/dbraw/zinc/89/45/50/536894550.db2.gz COMHXIAYFXXNDD-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc2ccccc2cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000449337777 536894555 /nfs/dbraw/zinc/89/45/55/536894555.db2.gz COMHXIAYFXXNDD-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081630642 545773001 /nfs/dbraw/zinc/77/30/01/545773001.db2.gz MHWOSCHQTBBDQP-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081630642 545773005 /nfs/dbraw/zinc/77/30/05/545773005.db2.gz MHWOSCHQTBBDQP-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000081630642 545773008 /nfs/dbraw/zinc/77/30/08/545773008.db2.gz MHWOSCHQTBBDQP-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000081630642 545773009 /nfs/dbraw/zinc/77/30/09/545773009.db2.gz MHWOSCHQTBBDQP-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090881614 545831308 /nfs/dbraw/zinc/83/13/08/545831308.db2.gz QPUVLIGYUUVHHT-IAGOWNOFSA-N 2 1 322.880 3.498 20 0 DGADMP COC1CCC([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093414853 545855822 /nfs/dbraw/zinc/85/58/22/545855822.db2.gz YUVZMWAVCCLKRC-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000120129480 545885563 /nfs/dbraw/zinc/88/55/63/545885563.db2.gz XRUXEPZXDRFCBG-UHFFFAOYSA-N 2 1 323.912 3.074 20 0 DGADMP C(CC[NH+]1CCCSCC1)CC[N@H+]1CCCSCC1 ZINC000129170525 545940573 /nfs/dbraw/zinc/94/05/73/545940573.db2.gz UFPYOHSYUQSUMH-UHFFFAOYSA-N 2 1 302.553 3.035 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000132385549 545962787 /nfs/dbraw/zinc/96/27/87/545962787.db2.gz PSMOFEZHVSLSQR-MJGOQNOKSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)COc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166259997 546093266 /nfs/dbraw/zinc/09/32/66/546093266.db2.gz WLJKARLZFRRYIF-ZWKOTPCHSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166259997 546093268 /nfs/dbraw/zinc/09/32/68/546093268.db2.gz WLJKARLZFRRYIF-ZWKOTPCHSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166259997 546093272 /nfs/dbraw/zinc/09/32/72/546093272.db2.gz WLJKARLZFRRYIF-ZWKOTPCHSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000166850399 546095832 /nfs/dbraw/zinc/09/58/32/546095832.db2.gz ILFQJSMULJZQRP-RTBURBONSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000180298909 546144050 /nfs/dbraw/zinc/14/40/50/546144050.db2.gz WQWOAEGPGYYDFI-CQSZACIVSA-N 2 1 300.450 3.409 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220774038 546265897 /nfs/dbraw/zinc/26/58/97/546265897.db2.gz ZBRJJSIUJYYXFX-ZDUSSCGKSA-N 2 1 302.340 3.289 20 0 DGADMP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236740028 546281063 /nfs/dbraw/zinc/28/10/63/546281063.db2.gz RVFPEVRGHLJOQM-QAPCUYQASA-N 2 1 317.477 3.373 20 0 DGADMP Cc1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000280582231 546382581 /nfs/dbraw/zinc/38/25/81/546382581.db2.gz MOCICORGYKKFON-UHFFFAOYSA-N 2 1 323.484 3.229 20 0 DGADMP COCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285601207 546398678 /nfs/dbraw/zinc/39/86/78/546398678.db2.gz PNSCYEAOEJAIKL-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285601207 546398680 /nfs/dbraw/zinc/39/86/80/546398680.db2.gz PNSCYEAOEJAIKL-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285601207 546398684 /nfs/dbraw/zinc/39/86/84/546398684.db2.gz PNSCYEAOEJAIKL-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000286446970 546404428 /nfs/dbraw/zinc/40/44/28/546404428.db2.gz SZPIQMQFIRDSGT-FQEVSTJZSA-N 2 1 322.456 3.196 20 0 DGADMP Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000286446970 546404432 /nfs/dbraw/zinc/40/44/32/546404432.db2.gz SZPIQMQFIRDSGT-FQEVSTJZSA-N 2 1 322.456 3.196 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763041 546450695 /nfs/dbraw/zinc/45/06/95/546450695.db2.gz FEVPVFBGFCFXAC-CIRFHOKZSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763038 546450703 /nfs/dbraw/zinc/45/07/03/546450703.db2.gz FEVPVFBGFCFXAC-BURFUSLBSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339073904 546532757 /nfs/dbraw/zinc/53/27/57/546532757.db2.gz GQCCQIFTJYXKJY-GJZGRUSLSA-N 2 1 310.388 3.313 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339073904 546532765 /nfs/dbraw/zinc/53/27/65/546532765.db2.gz GQCCQIFTJYXKJY-GJZGRUSLSA-N 2 1 310.388 3.313 20 0 DGADMP CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000339068598 546532978 /nfs/dbraw/zinc/53/29/78/546532978.db2.gz RRVLXAFBMLDDDE-FHWLQOOXSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069140 546533153 /nfs/dbraw/zinc/53/31/53/546533153.db2.gz WLJKARLZFRRYIF-ROUUACIJSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069140 546533155 /nfs/dbraw/zinc/53/31/55/546533155.db2.gz WLJKARLZFRRYIF-ROUUACIJSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)c(C[NH+](C)C)c1 ZINC000339279979 546537441 /nfs/dbraw/zinc/53/74/41/546537441.db2.gz FFYTVNZAUPVACK-INIZCTEOSA-N 2 1 317.477 3.260 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnn1-c1ccccc1 ZINC000342727136 546558160 /nfs/dbraw/zinc/55/81/60/546558160.db2.gz CEENLWSPWWVNQE-KRWDZBQOSA-N 2 1 312.461 3.399 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361679180 546720141 /nfs/dbraw/zinc/72/01/41/546720141.db2.gz UTOVQEQTOVCMHD-IHPCNDPISA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361679180 546720143 /nfs/dbraw/zinc/72/01/43/546720143.db2.gz UTOVQEQTOVCMHD-IHPCNDPISA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361679180 546720147 /nfs/dbraw/zinc/72/01/47/546720147.db2.gz UTOVQEQTOVCMHD-IHPCNDPISA-N 2 1 316.489 3.398 20 0 DGADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379620083 546735414 /nfs/dbraw/zinc/73/54/14/546735414.db2.gz COHPZEFJZVZCIU-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379620083 546735418 /nfs/dbraw/zinc/73/54/18/546735418.db2.gz COHPZEFJZVZCIU-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379620083 546735422 /nfs/dbraw/zinc/73/54/22/546735422.db2.gz COHPZEFJZVZCIU-IHPCNDPISA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390817371 546755849 /nfs/dbraw/zinc/75/58/49/546755849.db2.gz OCHYYLYRZBFWQO-QFBILLFUSA-N 2 1 310.441 3.392 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000414933148 546791150 /nfs/dbraw/zinc/79/11/50/546791150.db2.gz WSJXEJZZRPTEIH-RKDXNWHRSA-N 2 1 319.193 3.087 20 0 DGADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000414183962 546781444 /nfs/dbraw/zinc/78/14/44/546781444.db2.gz NNYNBEFJCGDKET-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000414183962 546781449 /nfs/dbraw/zinc/78/14/49/546781449.db2.gz NNYNBEFJCGDKET-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000414183962 546781452 /nfs/dbraw/zinc/78/14/52/546781452.db2.gz NNYNBEFJCGDKET-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414183962 546781454 /nfs/dbraw/zinc/78/14/54/546781454.db2.gz NNYNBEFJCGDKET-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414183962 546781459 /nfs/dbraw/zinc/78/14/59/546781459.db2.gz NNYNBEFJCGDKET-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000414181124 546781511 /nfs/dbraw/zinc/78/15/11/546781511.db2.gz LTYVNZUFRLNQRY-CADBVGFASA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000414181124 546781518 /nfs/dbraw/zinc/78/15/18/546781518.db2.gz LTYVNZUFRLNQRY-CADBVGFASA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@H](C)O1 ZINC000414258078 546782560 /nfs/dbraw/zinc/78/25/60/546782560.db2.gz LORJWGLRYPKUSP-CSFFLVESSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@H](C)O1 ZINC000414258078 546782565 /nfs/dbraw/zinc/78/25/65/546782565.db2.gz LORJWGLRYPKUSP-CSFFLVESSA-N 2 1 302.462 3.225 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414909016 546789096 /nfs/dbraw/zinc/78/90/96/546789096.db2.gz BTGGQUMXEOTLAO-KBPBESRZSA-N 2 1 307.869 3.300 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426148170 546810464 /nfs/dbraw/zinc/81/04/64/546810464.db2.gz JYOYRJTVFAKNJG-GJZGRUSLSA-N 2 1 308.466 3.042 20 0 DGADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C)n1 ZINC000436433554 546823175 /nfs/dbraw/zinc/82/31/75/546823175.db2.gz PRAJITSLVCRLNC-IBGZPJMESA-N 2 1 324.472 3.442 20 0 DGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C)n1 ZINC000436433554 546823181 /nfs/dbraw/zinc/82/31/81/546823181.db2.gz PRAJITSLVCRLNC-IBGZPJMESA-N 2 1 324.472 3.442 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453290873 546858748 /nfs/dbraw/zinc/85/87/48/546858748.db2.gz NLLXACCYJULGPU-NQYYFHDYSA-N 2 1 304.478 3.473 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453290873 546858750 /nfs/dbraw/zinc/85/87/50/546858750.db2.gz NLLXACCYJULGPU-NQYYFHDYSA-N 2 1 304.478 3.473 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513366183 546952635 /nfs/dbraw/zinc/95/26/35/546952635.db2.gz PBNVPHJZNDMJQS-KXBFYZLASA-N 2 1 304.478 3.336 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@H]1c1ccccc1 ZINC000556193974 546999463 /nfs/dbraw/zinc/99/94/63/546999463.db2.gz RMEBFUZGDTUPPX-CUDHKJQZSA-N 2 1 316.489 3.210 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@H]1c1ccccc1 ZINC000556193974 546999470 /nfs/dbraw/zinc/99/94/70/546999470.db2.gz RMEBFUZGDTUPPX-CUDHKJQZSA-N 2 1 316.489 3.210 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000667492977 547201934 /nfs/dbraw/zinc/20/19/34/547201934.db2.gz CVJCJLPLUPFANO-LJQANCHMSA-N 2 1 318.424 3.474 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000667492977 547201938 /nfs/dbraw/zinc/20/19/38/547201938.db2.gz CVJCJLPLUPFANO-LJQANCHMSA-N 2 1 318.424 3.474 20 0 DGADMP CC[N@@H+](CCc1cccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667529092 547211750 /nfs/dbraw/zinc/21/17/50/547211750.db2.gz JGZCUUPGZWJJEF-UHFFFAOYSA-N 2 1 312.442 3.393 20 0 DGADMP C[C@H]1C[C@H](N(C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667442 547267818 /nfs/dbraw/zinc/26/78/18/547267818.db2.gz NAUCSGGMMAADCZ-DZGCQCFKSA-N 2 1 306.425 3.281 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667809549 547308596 /nfs/dbraw/zinc/30/85/96/547308596.db2.gz LKIYXNLYSRJCOE-MOPGFXCFSA-N 2 1 302.462 3.184 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667910737 547331987 /nfs/dbraw/zinc/33/19/87/547331987.db2.gz XQDGSZHJLFTRJB-IXDGSTSKSA-N 2 1 311.429 3.399 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000668489003 547467094 /nfs/dbraw/zinc/46/70/94/547467094.db2.gz IYCOCFBLTKNEPA-LAUBAEHRSA-N 2 1 324.468 3.147 20 0 DGADMP C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784322 547540352 /nfs/dbraw/zinc/54/03/52/547540352.db2.gz BFNRRKMNHYWBFD-FLXZHSAZSA-N 2 1 302.462 3.133 20 0 DGADMP C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784322 547540355 /nfs/dbraw/zinc/54/03/55/547540355.db2.gz BFNRRKMNHYWBFD-FLXZHSAZSA-N 2 1 302.462 3.133 20 0 DGADMP C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784323 547540525 /nfs/dbraw/zinc/54/05/25/547540525.db2.gz BFNRRKMNHYWBFD-RBAUTDOXSA-N 2 1 302.462 3.133 20 0 DGADMP C/C(=C/c1ccccc1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784323 547540529 /nfs/dbraw/zinc/54/05/29/547540529.db2.gz BFNRRKMNHYWBFD-RBAUTDOXSA-N 2 1 302.462 3.133 20 0 DGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785648 547541107 /nfs/dbraw/zinc/54/11/07/547541107.db2.gz UITJGLYZYJQQGW-AZUAARDMSA-N 2 1 318.505 3.298 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000670154646 547730240 /nfs/dbraw/zinc/73/02/40/547730240.db2.gz CUQJSWVIQBOWOE-SFHVURJKSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H](C)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000670268469 547742230 /nfs/dbraw/zinc/74/22/30/547742230.db2.gz IULDYIAWZDJBBV-CYBMUJFWSA-N 2 1 304.482 3.334 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000671744542 547822918 /nfs/dbraw/zinc/82/29/18/547822918.db2.gz JFGQBVCYIUWWMG-CGTJXYLNSA-N 2 1 316.489 3.435 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000671753970 547827251 /nfs/dbraw/zinc/82/72/51/547827251.db2.gz CIFPFHGSDXSRBL-GPJFCIFZSA-N 2 1 316.489 3.180 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1Cl ZINC000671753133 547827771 /nfs/dbraw/zinc/82/77/71/547827771.db2.gz ANWGREFYQTVKSB-DZOHQFGASA-N 2 1 322.880 3.490 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674302273 548058917 /nfs/dbraw/zinc/05/89/17/548058917.db2.gz ZPABVRDSUAIVBU-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H](CC1CCC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724596 548259107 /nfs/dbraw/zinc/25/91/07/548259107.db2.gz XCEFRWXXVXNBHX-WBVHZDCISA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000675780459 548270207 /nfs/dbraw/zinc/27/02/07/548270207.db2.gz OXENYYZHXGNVGF-KRWDZBQOSA-N 3 1 317.521 3.347 20 0 DGADMP C[C@@H](Cc1cccs1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675783268 548271185 /nfs/dbraw/zinc/27/11/85/548271185.db2.gz FLYBSLMCOVTTCY-HRCADAONSA-N 2 1 310.507 3.158 20 0 DGADMP C[C@H](Cc1cccs1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675783269 548271210 /nfs/dbraw/zinc/27/12/10/548271210.db2.gz FLYBSLMCOVTTCY-OAGGEKHMSA-N 2 1 310.507 3.158 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000675809147 548276996 /nfs/dbraw/zinc/27/69/96/548276996.db2.gz ZWRIWEIYDUEAGK-RLLQIKCJSA-N 2 1 315.505 3.286 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881964 548282961 /nfs/dbraw/zinc/28/29/61/548282961.db2.gz OEXGWRRTTVYGOO-PXNSSMCTSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000675881120 548283027 /nfs/dbraw/zinc/28/30/27/548283027.db2.gz JOGXVKJZWRJNEB-YJBOKZPZSA-N 2 1 320.452 3.428 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000675881784 548283421 /nfs/dbraw/zinc/28/34/21/548283421.db2.gz NHVWKCPMBBOEOI-IEBWSBKVSA-N 2 1 318.436 3.046 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000675935072 548294937 /nfs/dbraw/zinc/29/49/37/548294937.db2.gz CAQMPOAVYIGOBK-LCLWPZTBSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000675935072 548294941 /nfs/dbraw/zinc/29/49/41/548294941.db2.gz CAQMPOAVYIGOBK-LCLWPZTBSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000678225901 548643964 /nfs/dbraw/zinc/64/39/64/548643964.db2.gz SIDIPWFZIMJLDX-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000678262763 548659208 /nfs/dbraw/zinc/65/92/08/548659208.db2.gz WTPARFOFZPZJMK-QGZVFWFLSA-N 2 1 314.429 3.210 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCOc3ccccc32)C[C@@H]1C ZINC000678277082 548666048 /nfs/dbraw/zinc/66/60/48/548666048.db2.gz QCPYJDGXOWQZJC-BBWFWOEESA-N 2 1 302.462 3.357 20 0 DGADMP C/C(=C/c1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000678339463 548682363 /nfs/dbraw/zinc/68/23/63/548682363.db2.gz MVSXVEJBZGBIRH-AUTPXGQISA-N 2 1 314.473 3.273 20 0 DGADMP C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000678339463 548682368 /nfs/dbraw/zinc/68/23/68/548682368.db2.gz MVSXVEJBZGBIRH-AUTPXGQISA-N 2 1 314.473 3.273 20 0 DGADMP Clc1ccccc1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678342870 548684419 /nfs/dbraw/zinc/68/44/19/548684419.db2.gz DLLGFWMFCDUFRO-BETUJISGSA-N 2 1 302.805 3.251 20 0 DGADMP Clc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678342870 548684423 /nfs/dbraw/zinc/68/44/23/548684423.db2.gz DLLGFWMFCDUFRO-BETUJISGSA-N 2 1 302.805 3.251 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678603651 548738898 /nfs/dbraw/zinc/73/88/98/548738898.db2.gz BGQLVCPKGKZMJT-SJORKVTESA-N 2 1 302.462 3.189 20 0 DGADMP c1oc2ccccc2c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678930543 548795252 /nfs/dbraw/zinc/79/52/52/548795252.db2.gz TVNSQCOQSKNCOG-KRWDZBQOSA-N 2 1 314.429 3.166 20 0 DGADMP c1cn([C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cn1 ZINC000678983603 548806625 /nfs/dbraw/zinc/80/66/25/548806625.db2.gz SMFFLGMUVLAJTH-CYBMUJFWSA-N 2 1 302.447 3.056 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cn1 ZINC000678983603 548806629 /nfs/dbraw/zinc/80/66/29/548806629.db2.gz SMFFLGMUVLAJTH-CYBMUJFWSA-N 2 1 302.447 3.056 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679153081 548839462 /nfs/dbraw/zinc/83/94/62/548839462.db2.gz NFABZTNHSCNODR-AEFFLSMTSA-N 2 1 301.478 3.485 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000679720968 548943996 /nfs/dbraw/zinc/94/39/96/548943996.db2.gz GCGJOSYBLPHFDD-YZGWKJHDSA-N 2 1 324.472 3.108 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncs1 ZINC000680479192 549058026 /nfs/dbraw/zinc/05/80/26/549058026.db2.gz LNTZXLPTDCJXEE-UHFFFAOYSA-N 2 1 316.474 3.277 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681392011 549202303 /nfs/dbraw/zinc/20/23/03/549202303.db2.gz NFTZQLKKUWBQRS-FRYIKTPZSA-N 2 1 316.489 3.038 20 0 DGADMP CO[C@@]1(C(F)(F)F)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000682041592 549280043 /nfs/dbraw/zinc/28/00/43/549280043.db2.gz ZWQFQUULZUVNNT-AWEZNQCLSA-N 2 1 319.371 3.015 20 0 DGADMP CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000682041592 549280046 /nfs/dbraw/zinc/28/00/46/549280046.db2.gz ZWQFQUULZUVNNT-AWEZNQCLSA-N 2 1 319.371 3.015 20 0 DGADMP CC[NH+](CC)CCCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000683140940 549438907 /nfs/dbraw/zinc/43/89/07/549438907.db2.gz LILPVOVSZGRMMP-IBGZPJMESA-N 2 1 317.521 3.315 20 0 DGADMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000683345648 549472254 /nfs/dbraw/zinc/47/22/54/549472254.db2.gz HJJWCJVGQZDDHK-QKLQHJQFSA-N 2 1 316.489 3.401 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000683818926 549541081 /nfs/dbraw/zinc/54/10/81/549541081.db2.gz LKAZTHPEGSRXJN-IPFAQRCESA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000683818926 549541083 /nfs/dbraw/zinc/54/10/83/549541083.db2.gz LKAZTHPEGSRXJN-IPFAQRCESA-N 2 1 302.462 3.368 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3cnccc3c2)C1 ZINC000683832749 549544501 /nfs/dbraw/zinc/54/45/01/549544501.db2.gz LMOKKJJYDVMGEC-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832749 549544504 /nfs/dbraw/zinc/54/45/04/549544504.db2.gz LMOKKJJYDVMGEC-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832749 549544506 /nfs/dbraw/zinc/54/45/06/549544506.db2.gz LMOKKJJYDVMGEC-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000684565206 549661418 /nfs/dbraw/zinc/66/14/18/549661418.db2.gz AZEIJFHNBCEWAX-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP [O-]c1cccc2c(N[C@H]3CCN(c4ccccn4)C3)cc[nH+]c12 ZINC000684579353 549664025 /nfs/dbraw/zinc/66/40/25/549664025.db2.gz IUKPUPZXPLRWTD-ZDUSSCGKSA-N 2 1 306.369 3.026 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nccc4ccccc43)C2)CC1 ZINC000685462792 549765127 /nfs/dbraw/zinc/76/51/27/549765127.db2.gz DQNRHZODZPUQDB-SFHVURJKSA-N 2 1 309.457 3.399 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000685581289 549777653 /nfs/dbraw/zinc/77/76/53/549777653.db2.gz QEUSIJZFFNUQAZ-OAHLLOKOSA-N 2 1 314.433 3.204 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000685581289 549777655 /nfs/dbraw/zinc/77/76/55/549777655.db2.gz QEUSIJZFFNUQAZ-OAHLLOKOSA-N 2 1 314.433 3.204 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCC1(F)F ZINC000685849320 549799415 /nfs/dbraw/zinc/79/94/15/549799415.db2.gz QVUZFONIAGXKPO-AWEZNQCLSA-N 2 1 312.404 3.104 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1C(C)(C)C1(C)C ZINC000746601039 575464201 /nfs/dbraw/zinc/46/42/01/575464201.db2.gz UOXXFFLOXATIID-HOCLYGCPSA-N 2 1 308.510 3.290 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000746631715 575465369 /nfs/dbraw/zinc/46/53/69/575465369.db2.gz OGIANCCNCZHCDQ-UHFFFAOYSA-N 2 1 315.446 3.096 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000746631715 575465371 /nfs/dbraw/zinc/46/53/71/575465371.db2.gz OGIANCCNCZHCDQ-UHFFFAOYSA-N 2 1 315.446 3.096 20 0 DGADMP c1ccc2c(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)n[nH]c2c1 ZINC000751151796 575771883 /nfs/dbraw/zinc/77/18/83/575771883.db2.gz FBEFINXQKYQHIW-UHFFFAOYSA-N 2 1 312.461 3.450 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000398064641 575960145 /nfs/dbraw/zinc/96/01/45/575960145.db2.gz XFUOHTBIRUUNLK-UZLBHIALSA-N 2 1 309.457 3.390 20 0 DGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCc2ccccc2C1 ZINC000852744530 620645215 /nfs/dbraw/zinc/64/52/15/620645215.db2.gz CTLQKAQVGJRLLL-HXUWFJFHSA-N 2 1 306.453 3.322 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000916835316 620647068 /nfs/dbraw/zinc/64/70/68/620647068.db2.gz OJGHKPJIARWMHZ-AWEZNQCLSA-N 2 1 318.490 3.048 20 0 DGADMP C[C@@H](SC[C@H]1CCC[N@H+]1C)[C@H](C)SC[C@H]1CCC[NH+]1C ZINC000917537072 620672742 /nfs/dbraw/zinc/67/27/42/620672742.db2.gz WOWCLSVIVOKZJR-QKPAOTATSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@@H](SC[C@H]1CCC[NH+]1C)[C@H](C)SC[C@H]1CCC[N@@H+]1C ZINC000917537072 620672744 /nfs/dbraw/zinc/67/27/44/620672744.db2.gz WOWCLSVIVOKZJR-QKPAOTATSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@@H](SC[C@H]1CCC[NH+]1C)[C@H](C)SC[C@H]1CCC[N@H+]1C ZINC000917537072 620672746 /nfs/dbraw/zinc/67/27/46/620672746.db2.gz WOWCLSVIVOKZJR-QKPAOTATSA-N 2 1 316.580 3.418 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000891810241 617904523 /nfs/dbraw/zinc/90/45/23/617904523.db2.gz RKZHWDPMYZQMIL-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892590189 618114041 /nfs/dbraw/zinc/11/40/41/618114041.db2.gz RVNLJNAHWHKMSS-IYBDPMFKSA-N 2 1 318.509 3.145 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnn1CC1CCC1 ZINC000924577255 618114979 /nfs/dbraw/zinc/11/49/79/618114979.db2.gz AIFUFOBINQJURG-MRXNPFEDSA-N 2 1 304.482 3.210 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000892679271 618135748 /nfs/dbraw/zinc/13/57/48/618135748.db2.gz NDMJZMMCVATKNA-UHFFFAOYSA-N 2 1 301.478 3.387 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCc2cccc(OC(F)(F)F)c2)C1 ZINC000892946625 618363443 /nfs/dbraw/zinc/36/34/43/618363443.db2.gz IVMTZKRRKVXZPP-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000893086019 618419655 /nfs/dbraw/zinc/41/96/55/618419655.db2.gz LYYSLPQCEKOPQG-ALOPSCKCSA-N 2 1 304.482 3.186 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000925504240 618424658 /nfs/dbraw/zinc/42/46/58/618424658.db2.gz KXUUXOCDHAUYSM-JOCHJYFZSA-N 2 1 322.518 3.024 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000925080143 618466556 /nfs/dbraw/zinc/46/65/56/618466556.db2.gz RAHAKUYMUFYOJT-JEWRLFTDSA-N 2 1 302.462 3.225 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000925587938 618501849 /nfs/dbraw/zinc/50/18/49/618501849.db2.gz LKZOOWPHZXLGEL-CEXWTWQISA-N 2 1 310.526 3.275 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925619755 618511444 /nfs/dbraw/zinc/51/14/44/618511444.db2.gz ARHIMIBRHRGPDN-ROUUACIJSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNCc1nccn1C1CC1 ZINC000893327422 618516327 /nfs/dbraw/zinc/51/63/27/618516327.db2.gz JDGWGEPBFLPROH-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000893327422 618516328 /nfs/dbraw/zinc/51/63/28/618516328.db2.gz JDGWGEPBFLPROH-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000893327422 618516332 /nfs/dbraw/zinc/51/63/32/618516332.db2.gz JDGWGEPBFLPROH-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000925639329 618517359 /nfs/dbraw/zinc/51/73/59/618517359.db2.gz BLFRZRIXFWHWAX-OWLYRPNTSA-N 2 1 303.494 3.173 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925661753 618522592 /nfs/dbraw/zinc/52/25/92/618522592.db2.gz WFXNOVZQZRHYJT-HZPDHXFCSA-N 2 1 307.869 3.301 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000893530760 618586007 /nfs/dbraw/zinc/58/60/07/618586007.db2.gz ARCNFTGXWYXVGX-CQSZACIVSA-N 2 1 322.412 3.361 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)[NH+](C)C ZINC000895293150 618589356 /nfs/dbraw/zinc/58/93/56/618589356.db2.gz JXSJSQKBQUTBEN-MRXNPFEDSA-N 2 1 312.461 3.279 20 0 DGADMP Fc1cc(F)cc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000925759431 618602053 /nfs/dbraw/zinc/60/20/53/618602053.db2.gz OIWMJLIDJHNGHT-ZIBATOQPSA-N 2 1 316.342 3.034 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCCC2 ZINC000925777807 618616432 /nfs/dbraw/zinc/61/64/32/618616432.db2.gz HHTZNTSJHBWJFA-GUYCJALGSA-N 2 1 308.416 3.461 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3([C@@H]4CCCCO4)CC3)CC[NH2+]2)cc1 ZINC000925892600 618653701 /nfs/dbraw/zinc/65/37/01/618653701.db2.gz CBJNAHKIVFAKFF-SQNIBIBYSA-N 2 1 300.446 3.171 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc3c2NCCC3)CC1 ZINC000893966433 618684105 /nfs/dbraw/zinc/68/41/05/618684105.db2.gz BACDCLOULXYAGB-UHFFFAOYSA-N 2 1 301.478 3.351 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2NCCC3)CC1 ZINC000893966433 618684107 /nfs/dbraw/zinc/68/41/07/618684107.db2.gz BACDCLOULXYAGB-UHFFFAOYSA-N 2 1 301.478 3.351 20 0 DGADMP C[N@H+](Cc1ccccc1OCC(F)F)CC1CC[NH+](C)CC1 ZINC000894000730 618692161 /nfs/dbraw/zinc/69/21/61/618692161.db2.gz ABOXSWVJLLNKAD-UHFFFAOYSA-N 2 1 312.404 3.104 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000924911851 618737761 /nfs/dbraw/zinc/73/77/61/618737761.db2.gz IKJIXFJBCMBHRF-IBGZPJMESA-N 2 1 317.477 3.013 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC000895380494 618775956 /nfs/dbraw/zinc/77/59/56/618775956.db2.gz YVNTXIVEHWFRHU-HNAYVOBHSA-N 2 1 317.477 3.197 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508344 618793299 /nfs/dbraw/zinc/79/32/99/618793299.db2.gz FZHKBSQVOZNPSX-XJKSGUPXSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508344 618793300 /nfs/dbraw/zinc/79/33/00/618793300.db2.gz FZHKBSQVOZNPSX-XJKSGUPXSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCN1c1cc[nH+]cc1 ZINC000895558340 618799054 /nfs/dbraw/zinc/79/90/54/618799054.db2.gz WKPYPYSJTPFFKZ-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000895684147 618818541 /nfs/dbraw/zinc/81/85/41/618818541.db2.gz ACCUOPXBMDAMBA-UHFFFAOYSA-N 2 1 317.477 3.343 20 0 DGADMP CN(c1ccccc1C[N@@H+](C)CCCF)C1CC[NH+](C)CC1 ZINC000895897833 618847269 /nfs/dbraw/zinc/84/72/69/618847269.db2.gz DYGLYWCHQWIFLV-UHFFFAOYSA-N 2 1 307.457 3.008 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)(C)CO ZINC000925134630 618925755 /nfs/dbraw/zinc/92/57/55/618925755.db2.gz HJDUJNYOJSZPNJ-OFQRWUPVSA-N 2 1 310.507 3.128 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)CO ZINC000925134630 618925757 /nfs/dbraw/zinc/92/57/57/618925757.db2.gz HJDUJNYOJSZPNJ-OFQRWUPVSA-N 2 1 310.507 3.128 20 0 DGADMP C[NH+](C)CC[C@H](NC[C@H]1C[C@@H]1c1ccccc1)c1cccnc1 ZINC000896722012 618948081 /nfs/dbraw/zinc/94/80/81/618948081.db2.gz XJDXMBPLQFEVPT-AQNXPRMDSA-N 2 1 309.457 3.468 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1cccnc1 ZINC000896722012 618948084 /nfs/dbraw/zinc/94/80/84/618948084.db2.gz XJDXMBPLQFEVPT-AQNXPRMDSA-N 2 1 309.457 3.468 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccnnc1 ZINC000925221410 619080456 /nfs/dbraw/zinc/08/04/56/619080456.db2.gz NGMCPYYWBXUMGX-GJYPPUQNSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccnnc1 ZINC000925221410 619080458 /nfs/dbraw/zinc/08/04/58/619080458.db2.gz NGMCPYYWBXUMGX-GJYPPUQNSA-N 2 1 310.445 3.038 20 0 DGADMP CSC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000924647823 619252947 /nfs/dbraw/zinc/25/29/47/619252947.db2.gz HTJKOSCFUJDOES-UHFFFAOYSA-N 2 1 304.503 3.177 20 0 DGADMP CCO[C@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)C[NH+](C)C ZINC000926961578 619253028 /nfs/dbraw/zinc/25/30/28/619253028.db2.gz PMEFFFVZEDVONU-BDVYOWHSSA-N 2 1 310.869 3.142 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC000898522042 619284075 /nfs/dbraw/zinc/28/40/75/619284075.db2.gz JFSCXNLJUCIJRH-HKBOAZHASA-N 2 1 321.468 3.472 20 0 DGADMP Cn1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000898522254 619284194 /nfs/dbraw/zinc/28/41/94/619284194.db2.gz KVIPVIOEVJLQPL-HKBOAZHASA-N 2 1 323.484 3.415 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318150 619614449 /nfs/dbraw/zinc/61/44/49/619614449.db2.gz NOQNATJIRLZRFP-GOSISDBHSA-N 3 1 303.494 3.006 20 0 DGADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318150 619614451 /nfs/dbraw/zinc/61/44/51/619614451.db2.gz NOQNATJIRLZRFP-GOSISDBHSA-N 2 1 303.494 3.006 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318150 619614453 /nfs/dbraw/zinc/61/44/53/619614453.db2.gz NOQNATJIRLZRFP-GOSISDBHSA-N 2 1 303.494 3.006 20 0 DGADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902378685 619625485 /nfs/dbraw/zinc/62/54/85/619625485.db2.gz ZYFHOTZUKSJEND-CYBMUJFWSA-N 2 1 302.418 3.309 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902431750 619635023 /nfs/dbraw/zinc/63/50/23/619635023.db2.gz NUZYYFHEVYZVAR-MAUKXSAKSA-N 2 1 304.482 3.084 20 0 DGADMP CNc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902478467 619639175 /nfs/dbraw/zinc/63/91/75/619639175.db2.gz WYGLBUICFBORTO-WBVHZDCISA-N 2 1 301.478 3.471 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902754537 619670879 /nfs/dbraw/zinc/67/08/79/619670879.db2.gz FHEJWOWVNYYFTF-QZTJIDSGSA-N 2 1 305.466 3.157 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902790188 619677046 /nfs/dbraw/zinc/67/70/46/619677046.db2.gz NDAIFRHBKQFBQJ-CRAIPNDOSA-N 2 1 307.482 3.259 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000903017283 619701755 /nfs/dbraw/zinc/70/17/55/619701755.db2.gz MGFFQXUKVYQXDN-JKSUJKDBSA-N 2 1 318.461 3.164 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903017636 619702236 /nfs/dbraw/zinc/70/22/36/619702236.db2.gz QKYXQADPDAANFD-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP CCO[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000903037512 619705245 /nfs/dbraw/zinc/70/52/45/619705245.db2.gz MBMLAOLUEGRVQO-FYQPLNBISA-N 2 1 316.489 3.269 20 0 DGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903057054 619707432 /nfs/dbraw/zinc/70/74/32/619707432.db2.gz AIGJCQPPTZUAHT-QZNYNHHHSA-N 2 1 313.489 3.037 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903057054 619707436 /nfs/dbraw/zinc/70/74/36/619707436.db2.gz AIGJCQPPTZUAHT-QZNYNHHHSA-N 2 1 313.489 3.037 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903057054 619707437 /nfs/dbraw/zinc/70/74/37/619707437.db2.gz AIGJCQPPTZUAHT-QZNYNHHHSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903074859 619711265 /nfs/dbraw/zinc/71/12/65/619711265.db2.gz XHJBIFOYKNMFRP-QZNYNHHHSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076683 619711968 /nfs/dbraw/zinc/71/19/68/619711968.db2.gz UHGGZJIGYATTJQ-VBZNHOPUSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076683 619711970 /nfs/dbraw/zinc/71/19/70/619711970.db2.gz UHGGZJIGYATTJQ-VBZNHOPUSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076683 619711972 /nfs/dbraw/zinc/71/19/72/619711972.db2.gz UHGGZJIGYATTJQ-VBZNHOPUSA-N 2 1 319.537 3.244 20 0 DGADMP CCC[NH+](CCC)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903087275 619713777 /nfs/dbraw/zinc/71/37/77/619713777.db2.gz DFBVEBQVGVTBQQ-JLYLLQBASA-N 2 1 307.526 3.246 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903087275 619713781 /nfs/dbraw/zinc/71/37/81/619713781.db2.gz DFBVEBQVGVTBQQ-JLYLLQBASA-N 3 1 307.526 3.246 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903087275 619713782 /nfs/dbraw/zinc/71/37/82/619713782.db2.gz DFBVEBQVGVTBQQ-JLYLLQBASA-N 3 1 307.526 3.246 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000903068512 619714707 /nfs/dbraw/zinc/71/47/07/619714707.db2.gz GVBKTQIDERVYSX-KYNGSXCRSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000903068512 619714709 /nfs/dbraw/zinc/71/47/09/619714709.db2.gz GVBKTQIDERVYSX-KYNGSXCRSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000903068512 619714712 /nfs/dbraw/zinc/71/47/12/619714712.db2.gz GVBKTQIDERVYSX-KYNGSXCRSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000903068512 619714713 /nfs/dbraw/zinc/71/47/13/619714713.db2.gz GVBKTQIDERVYSX-KYNGSXCRSA-N 2 1 316.445 3.027 20 0 DGADMP C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC[NH+]1CCCCC1 ZINC000903098015 619715826 /nfs/dbraw/zinc/71/58/26/619715826.db2.gz WLRUFSOBYLNYTP-CTXDPNEZSA-N 3 1 319.537 3.390 20 0 DGADMP C[NH+](C)CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903097252 619719825 /nfs/dbraw/zinc/71/98/25/619719825.db2.gz DZLNJGBOYSONLD-NXCDMZCRSA-N 2 1 307.526 3.100 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)(C)C ZINC000903097252 619719826 /nfs/dbraw/zinc/71/98/26/619719826.db2.gz DZLNJGBOYSONLD-NXCDMZCRSA-N 3 1 307.526 3.100 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903097252 619719827 /nfs/dbraw/zinc/71/98/27/619719827.db2.gz DZLNJGBOYSONLD-NXCDMZCRSA-N 3 1 307.526 3.100 20 0 DGADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113701 619719937 /nfs/dbraw/zinc/71/99/37/619719937.db2.gz QHOFFZTWMMLQCI-XMMBUWISSA-N 2 1 314.473 3.246 20 0 DGADMP C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113346 619719986 /nfs/dbraw/zinc/71/99/86/619719986.db2.gz NFMIANXBTQVXFO-SMMMKCNCSA-N 2 1 320.502 3.308 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903132006 619722281 /nfs/dbraw/zinc/72/22/81/619722281.db2.gz VRDRQZPTAJDMGO-BDFJQQSHSA-N 2 1 306.494 3.328 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCOC3(CCCC3)C1)C2 ZINC000903126093 619722518 /nfs/dbraw/zinc/72/25/18/619722518.db2.gz QNGUALZUFUIXIO-DUZACMNTSA-N 2 1 304.478 3.226 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[C@H]3SCCS[C@@H]31)C2 ZINC000903132363 619723182 /nfs/dbraw/zinc/72/31/82/619723182.db2.gz YQAJUGSQTLNACA-RJFYGAIVSA-N 2 1 324.559 3.113 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903157544 619726878 /nfs/dbraw/zinc/72/68/78/619726878.db2.gz IWAXGEBRPGTZDP-BDCDKBNASA-N 2 1 316.420 3.397 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903157544 619726880 /nfs/dbraw/zinc/72/68/80/619726880.db2.gz IWAXGEBRPGTZDP-BDCDKBNASA-N 2 1 316.420 3.397 20 0 DGADMP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903169510 619733098 /nfs/dbraw/zinc/73/30/98/619733098.db2.gz BPCCURZHWYPAQK-XMMBUWISSA-N 2 1 314.473 3.164 20 0 DGADMP C[C@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@]1(F)Cl ZINC000903193925 619733449 /nfs/dbraw/zinc/73/34/49/619733449.db2.gz HYSABDDGJHXTPJ-SXPAGVDESA-N 2 1 300.849 3.439 20 0 DGADMP Fc1ccc2onc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)c2c1 ZINC000903211764 619739305 /nfs/dbraw/zinc/73/93/05/619739305.db2.gz HXHISBJBYAEHAI-LQDVMPOASA-N 2 1 315.392 3.214 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)c1ccccc1 ZINC000903217362 619740189 /nfs/dbraw/zinc/74/01/89/619740189.db2.gz VPIDQFXRDJBFEH-XDLUSNJSSA-N 2 1 314.473 3.246 20 0 DGADMP C[C@H]1[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000903301479 619753862 /nfs/dbraw/zinc/75/38/62/619753862.db2.gz RBLGOSOFSADRRT-RDJZCZTQSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCN1C ZINC000903301479 619753863 /nfs/dbraw/zinc/75/38/63/619753863.db2.gz RBLGOSOFSADRRT-RDJZCZTQSA-N 2 1 309.542 3.348 20 0 DGADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000903416832 619773067 /nfs/dbraw/zinc/77/30/67/619773067.db2.gz WIKVVMSLVFZSKC-DYESRHJHSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000903416832 619773068 /nfs/dbraw/zinc/77/30/68/619773068.db2.gz WIKVVMSLVFZSKC-DYESRHJHSA-N 2 1 323.484 3.433 20 0 DGADMP COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435451 619775068 /nfs/dbraw/zinc/77/50/68/619775068.db2.gz ULIGCHQSLRKPDD-DOMZBBRYSA-N 2 1 314.832 3.055 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000903441274 619775848 /nfs/dbraw/zinc/77/58/48/619775848.db2.gz KTUVIAQXCOSUNH-VNHYZAJKSA-N 2 1 301.459 3.289 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000903441274 619775850 /nfs/dbraw/zinc/77/58/50/619775850.db2.gz KTUVIAQXCOSUNH-VNHYZAJKSA-N 2 1 301.459 3.289 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000903461234 619776833 /nfs/dbraw/zinc/77/68/33/619776833.db2.gz QDZHWAPGTCYOPE-HZMVEIRTSA-N 2 1 306.400 3.096 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c2ccccc2)cc1 ZINC000903463767 619777179 /nfs/dbraw/zinc/77/71/79/619777179.db2.gz MBBVNYJBMBEHNQ-MOXGXCLJSA-N 2 1 310.441 3.230 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c2ccccc2)cc1 ZINC000903463766 619777267 /nfs/dbraw/zinc/77/72/67/619777267.db2.gz MBBVNYJBMBEHNQ-BPAFIMBUSA-N 2 1 310.441 3.230 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000903444052 619777825 /nfs/dbraw/zinc/77/78/25/619777825.db2.gz OKJIMSVOBORYBP-OJAHFUOMSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000903444052 619777827 /nfs/dbraw/zinc/77/78/27/619777827.db2.gz OKJIMSVOBORYBP-OJAHFUOMSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000903444052 619777828 /nfs/dbraw/zinc/77/78/28/619777828.db2.gz OKJIMSVOBORYBP-OJAHFUOMSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444052 619777830 /nfs/dbraw/zinc/77/78/30/619777830.db2.gz OKJIMSVOBORYBP-OJAHFUOMSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444052 619777831 /nfs/dbraw/zinc/77/78/31/619777831.db2.gz OKJIMSVOBORYBP-OJAHFUOMSA-N 3 1 315.505 3.099 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@H]21 ZINC000903447569 619778092 /nfs/dbraw/zinc/77/80/92/619778092.db2.gz YHCVYYGFLNJKEQ-WRQOLXDDSA-N 2 1 306.400 3.095 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)[C@@H]1c1ccccc1 ZINC000903446099 619778142 /nfs/dbraw/zinc/77/81/42/619778142.db2.gz SXCPCZAMNOZSPW-OWSLCNJRSA-N 2 1 320.427 3.499 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ncc[nH]1 ZINC000903455647 619779727 /nfs/dbraw/zinc/77/97/27/619779727.db2.gz OGIWJQZEVGBDPA-YSHGAJCASA-N 2 1 324.472 3.361 20 0 DGADMP CCSc1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479734 619780891 /nfs/dbraw/zinc/78/08/91/619780891.db2.gz XMOIDQKGSDGMLD-QWHCGFSZSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479734 619780892 /nfs/dbraw/zinc/78/08/92/619780892.db2.gz XMOIDQKGSDGMLD-QWHCGFSZSA-N 2 1 318.408 3.368 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c(C)nn1 ZINC000903482554 619781010 /nfs/dbraw/zinc/78/10/10/619781010.db2.gz KRWONJIGDXERAU-APWZRJJASA-N 2 1 316.493 3.213 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)o1 ZINC000903500373 619781831 /nfs/dbraw/zinc/78/18/31/619781831.db2.gz ZLXDWYGIEZFZBN-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1)[C@H]1CCC[NH2+]C1 ZINC000903565981 619783609 /nfs/dbraw/zinc/78/36/09/619783609.db2.gz WIKJYZFPOOALOQ-HUUCEWRRSA-N 2 1 319.518 3.201 20 0 DGADMP c1ccc2sc(C[N@H+](CC[C@@H]3CC[NH2+]C3)C3CC3)nc2c1 ZINC000903570247 619784328 /nfs/dbraw/zinc/78/43/28/619784328.db2.gz XOZAQGZBQJDQFA-ZDUSSCGKSA-N 2 1 301.459 3.260 20 0 DGADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718646 619803274 /nfs/dbraw/zinc/80/32/74/619803274.db2.gz QDLTZGHHBZKLLI-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723525 619804374 /nfs/dbraw/zinc/80/43/74/619804374.db2.gz HXPZEUQHFFHCRI-GOSISDBHSA-N 2 1 320.452 3.195 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c(C)c1 ZINC000903725082 619805174 /nfs/dbraw/zinc/80/51/74/619805174.db2.gz WCQWKLFHSBNFGY-YQVWRLOYSA-N 2 1 302.462 3.065 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724917 619805194 /nfs/dbraw/zinc/80/51/94/619805194.db2.gz SGRYNCMXXNMZID-HIFRSBDPSA-N 2 1 324.415 3.116 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903730094 619805313 /nfs/dbraw/zinc/80/53/13/619805313.db2.gz UDOKQHLUBGKWJR-UFYCRDLUSA-N 2 1 314.473 3.291 20 0 DGADMP c1ccc2oc([C@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903733819 619807728 /nfs/dbraw/zinc/80/77/28/619807728.db2.gz REAGZAYRZCOMMQ-HOTGVXAUSA-N 2 1 313.445 3.397 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903733688 619807747 /nfs/dbraw/zinc/80/77/47/619807747.db2.gz OQXWLTZCJMTYOI-QGZVFWFLSA-N 2 1 301.478 3.108 20 0 DGADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903734690 619807771 /nfs/dbraw/zinc/80/77/71/619807771.db2.gz VBTSDFCMNPJYKC-GBESFXJTSA-N 2 1 318.436 3.121 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCCC[NH2+]C1 ZINC000903733675 619807856 /nfs/dbraw/zinc/80/78/56/619807856.db2.gz OQXWLTZCJMTYOI-KRWDZBQOSA-N 2 1 301.478 3.108 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1F ZINC000903776593 619812020 /nfs/dbraw/zinc/81/20/20/619812020.db2.gz VLBXBFXPBVVIBG-ZBFHGGJFSA-N 2 1 306.425 3.013 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903777704 619812391 /nfs/dbraw/zinc/81/23/91/619812391.db2.gz CPFBDDCOSHBVRV-QZTJIDSGSA-N 2 1 306.494 3.047 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903830961 619820965 /nfs/dbraw/zinc/82/09/65/619820965.db2.gz CKPXRZJUPDDQBU-ZNXRZULTSA-N 2 1 324.472 3.429 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)nc1 ZINC000903833906 619821465 /nfs/dbraw/zinc/82/14/65/619821465.db2.gz YUKRBTROIVFGAD-HXUWFJFHSA-N 2 1 323.440 3.073 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1coc(-c3cccc(Cl)c3)n1)C2 ZINC000903846713 619823245 /nfs/dbraw/zinc/82/32/45/619823245.db2.gz QKWTWOWMKBQPFV-PEYYIBSZSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1coc(-c3cccc(Cl)c3)n1)C2 ZINC000903846713 619823249 /nfs/dbraw/zinc/82/32/49/619823249.db2.gz QKWTWOWMKBQPFV-PEYYIBSZSA-N 2 1 317.820 3.307 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903889603 619826359 /nfs/dbraw/zinc/82/63/59/619826359.db2.gz TVKRPTHNRHMRDC-DQXYTYHJSA-N 2 1 314.473 3.233 20 0 DGADMP c1cc2n(c1)CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@@H]2c1ccccc1 ZINC000903883870 619828134 /nfs/dbraw/zinc/82/81/34/619828134.db2.gz LCAACUDKZUJCFG-ZJVRTDGDSA-N 2 1 321.468 3.424 20 0 DGADMP c1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903887090 619828733 /nfs/dbraw/zinc/82/87/33/619828733.db2.gz XHMOTARSRSORLU-NXEWRWPSSA-N 2 1 314.473 3.198 20 0 DGADMP Fc1cccc(F)c1[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903909181 619832943 /nfs/dbraw/zinc/83/29/43/619832943.db2.gz CJELGDWDAAPSOW-WIGRTHMWSA-N 2 1 306.400 3.285 20 0 DGADMP C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903907974 619833256 /nfs/dbraw/zinc/83/32/56/619833256.db2.gz BUQDPAKSFQGTSI-MGPUTAFESA-N 2 1 307.441 3.310 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1F ZINC000903934406 619837336 /nfs/dbraw/zinc/83/73/36/619837336.db2.gz GONSKKZGXODXEN-ZCJOQKPTSA-N 2 1 318.436 3.154 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000903959961 619840068 /nfs/dbraw/zinc/84/00/68/619840068.db2.gz TWTWSCWXITZEPQ-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000903959961 619840070 /nfs/dbraw/zinc/84/00/70/619840070.db2.gz TWTWSCWXITZEPQ-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000903947523 619843967 /nfs/dbraw/zinc/84/39/67/619843967.db2.gz ZMMPLIMCGXPZME-UHFFFAOYSA-N 2 1 312.461 3.192 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972926 619847338 /nfs/dbraw/zinc/84/73/38/619847338.db2.gz MIQUHDDRDHUDJZ-HKUYNNGSSA-N 2 1 316.489 3.064 20 0 DGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972928 619847422 /nfs/dbraw/zinc/84/74/22/619847422.db2.gz MIQUHDDRDHUDJZ-MJGOQNOKSA-N 2 1 316.489 3.064 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972404 619847440 /nfs/dbraw/zinc/84/74/40/619847440.db2.gz HTSMLUDXBKDXCS-RBUKOAKNSA-N 2 1 316.489 3.064 20 0 DGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903972677 619847624 /nfs/dbraw/zinc/84/76/24/619847624.db2.gz JUVMERIJDYSEML-HKUYNNGSSA-N 2 1 316.489 3.064 20 0 DGADMP CC(C)(C)C1CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903975023 619848155 /nfs/dbraw/zinc/84/81/55/619848155.db2.gz YWEOOYABSWVLGY-OFLPRAFFSA-N 2 1 308.510 3.340 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000904346694 619915267 /nfs/dbraw/zinc/91/52/67/619915267.db2.gz YHSDOUXTQQIHKK-FZNQNYSPSA-N 2 1 323.278 3.398 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000904411939 619920316 /nfs/dbraw/zinc/92/03/16/619920316.db2.gz QPEACRIEAULAIR-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OCC ZINC000904411670 619920560 /nfs/dbraw/zinc/92/05/60/619920560.db2.gz VKTGMWCEDRBREQ-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904410319 619920705 /nfs/dbraw/zinc/92/07/05/619920705.db2.gz OGPWZTJLYFGWFK-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OCC(C)C ZINC000904409795 619920710 /nfs/dbraw/zinc/92/07/10/619920710.db2.gz ITZGEJSSVJLRKA-MRXNPFEDSA-N 2 1 320.477 3.291 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000904412497 619920885 /nfs/dbraw/zinc/92/08/85/619920885.db2.gz VABYPUCHNVLHCU-TZMCWYRMSA-N 2 1 312.889 3.062 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1C[NH3+] ZINC000904412429 619920948 /nfs/dbraw/zinc/92/09/48/619920948.db2.gz VRDZGUVKAIMAKT-YOEHRIQHSA-N 2 1 313.420 3.304 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000904412087 619921072 /nfs/dbraw/zinc/92/10/72/619921072.db2.gz PSUGASVBTIMIPG-VYDXJSESSA-N 2 1 320.477 3.289 20 0 DGADMP C[NH2+]Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1F ZINC000904798967 619952373 /nfs/dbraw/zinc/95/23/73/619952373.db2.gz KUHWBPXGMCAQDU-UHFFFAOYSA-N 2 1 314.404 3.044 20 0 DGADMP [NH3+][C@@H]1CN(c2cc[nH+]c3ccsc32)CC[C@@H]1C(F)(F)F ZINC000905717473 620020209 /nfs/dbraw/zinc/02/02/09/620020209.db2.gz HJUPQNOUSTXCBW-DTWKUNHWSA-N 2 1 301.337 3.012 20 0 DGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000906588517 620106381 /nfs/dbraw/zinc/10/63/81/620106381.db2.gz HEYGVDDNPPYGSR-RBUKOAKNSA-N 2 1 311.404 3.289 20 0 DGADMP CCCCCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000841086654 620229602 /nfs/dbraw/zinc/22/96/02/620229602.db2.gz PESDQTKRVDHPQM-LJQANCHMSA-N 2 1 320.477 3.114 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921496638 620861690 /nfs/dbraw/zinc/86/16/90/620861690.db2.gz XUBFZNVBKQWDEL-INIZCTEOSA-N 2 1 304.482 3.037 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921496638 620861691 /nfs/dbraw/zinc/86/16/91/620861691.db2.gz XUBFZNVBKQWDEL-INIZCTEOSA-N 2 1 304.482 3.037 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1cccc2[nH]c(=O)oc21)C1CCCCC1 ZINC000921501263 620875019 /nfs/dbraw/zinc/87/50/19/620875019.db2.gz KKDWSIYCAVORDK-UHFFFAOYSA-N 2 1 317.433 3.278 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2[nH]c(=O)oc21)C1CCCCC1 ZINC000921501263 620875020 /nfs/dbraw/zinc/87/50/20/620875020.db2.gz KKDWSIYCAVORDK-UHFFFAOYSA-N 2 1 317.433 3.278 20 0 DGADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000921686203 620933531 /nfs/dbraw/zinc/93/35/31/620933531.db2.gz GXHMDOQLQJSGQH-UHFFFAOYSA-N 2 1 320.868 3.367 20 0 DGADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000921686203 620933533 /nfs/dbraw/zinc/93/35/33/620933533.db2.gz GXHMDOQLQJSGQH-UHFFFAOYSA-N 2 1 320.868 3.367 20 0 DGADMP c1nn(C2CCC2)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000921814869 620954261 /nfs/dbraw/zinc/95/42/61/620954261.db2.gz CVXRHCVOOYHLHN-UHFFFAOYSA-N 2 1 302.466 3.105 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921914094 620968288 /nfs/dbraw/zinc/96/82/88/620968288.db2.gz GQCQSBVWKOEGPI-MRXNPFEDSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921914094 620968290 /nfs/dbraw/zinc/96/82/90/620968290.db2.gz GQCQSBVWKOEGPI-MRXNPFEDSA-N 2 1 304.482 3.066 20 0 DGADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C2CCCC2)n1 ZINC000922053254 620984182 /nfs/dbraw/zinc/98/41/82/620984182.db2.gz SZRVTUOCMVIQRV-UHFFFAOYSA-N 2 1 318.509 3.289 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3=CCCC3)C2)ccn1 ZINC000856583897 621006281 /nfs/dbraw/zinc/00/62/81/621006281.db2.gz SLOWUEUVFCPUBX-LJQANCHMSA-N 2 1 315.461 3.097 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3=CCCC3)C2)ccn1 ZINC000856583897 621006285 /nfs/dbraw/zinc/00/62/85/621006285.db2.gz SLOWUEUVFCPUBX-LJQANCHMSA-N 2 1 315.461 3.097 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3=CCCC3)C2)ccn1 ZINC000856583897 621006288 /nfs/dbraw/zinc/00/62/88/621006288.db2.gz SLOWUEUVFCPUBX-LJQANCHMSA-N 2 1 315.461 3.097 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C)c3)C2)[C@H]1C(C)C ZINC000922395542 621032926 /nfs/dbraw/zinc/03/29/26/621032926.db2.gz SVDAZZSMIGQSSY-BRSBDYLESA-N 2 1 322.518 3.016 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccsc3C)C2)[C@H]1C(C)C ZINC000922392631 621033066 /nfs/dbraw/zinc/03/30/66/621033066.db2.gz FAVGIOOSEQOHNH-BRSBDYLESA-N 2 1 322.518 3.016 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1(C)C ZINC000922771821 621097364 /nfs/dbraw/zinc/09/73/64/621097364.db2.gz IVFPLWNNYMSCES-ARFHVFGLSA-N 2 1 308.416 3.498 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000858116669 621154845 /nfs/dbraw/zinc/15/48/45/621154845.db2.gz VACBJFIVTJXUGV-GOSISDBHSA-N 2 1 313.420 3.223 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000858116669 621154847 /nfs/dbraw/zinc/15/48/47/621154847.db2.gz VACBJFIVTJXUGV-GOSISDBHSA-N 2 1 313.420 3.223 20 0 DGADMP CC(C)c1nn(C)c(Cl)c1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000858245992 621167568 /nfs/dbraw/zinc/16/75/68/621167568.db2.gz ZYPNTHWNXMRSNU-CYBMUJFWSA-N 2 1 312.889 3.018 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289214 621172333 /nfs/dbraw/zinc/17/23/33/621172333.db2.gz NYKUXYHMUNEQMB-RWSFTLGLSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289214 621172335 /nfs/dbraw/zinc/17/23/35/621172335.db2.gz NYKUXYHMUNEQMB-RWSFTLGLSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccccc2)O1 ZINC000923308185 621173474 /nfs/dbraw/zinc/17/34/74/621173474.db2.gz GBCNQJGLVQJAGT-DSLRARGZSA-N 2 1 314.473 3.369 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309250 621175268 /nfs/dbraw/zinc/17/52/68/621175268.db2.gz OOISDIXHHHOTMG-QRVBRYPASA-N 2 1 314.473 3.023 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CC1)CCCc1cc(-c2ccccc2)no1 ZINC000923309532 621175433 /nfs/dbraw/zinc/17/54/33/621175433.db2.gz RHZIVUQXQRUQGH-UHFFFAOYSA-N 2 1 313.445 3.348 20 0 DGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374316 621179649 /nfs/dbraw/zinc/17/96/49/621179649.db2.gz VMCCLGMWQVYRDG-HMQMGEFJSA-N 2 1 302.466 3.084 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000923487873 621187023 /nfs/dbraw/zinc/18/70/23/621187023.db2.gz ILNHPLJTALYOMV-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP [NH3+]CC[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000923486196 621187303 /nfs/dbraw/zinc/18/73/03/621187303.db2.gz CRRYWEJKZAMAQV-QFBILLFUSA-N 2 1 323.440 3.037 20 0 DGADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484085 621187585 /nfs/dbraw/zinc/18/75/85/621187585.db2.gz VCIUASMLMCILNE-VXGBXAGGSA-N 2 1 308.376 3.163 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000923491628 621188059 /nfs/dbraw/zinc/18/80/59/621188059.db2.gz LTCMHXROOLIAMN-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@@H]1C[NH3+] ZINC000923496558 621188255 /nfs/dbraw/zinc/18/82/55/621188255.db2.gz ATJLRCUPXIQUFF-WCQYABFASA-N 2 1 321.371 3.037 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC000923492385 621188274 /nfs/dbraw/zinc/18/82/74/621188274.db2.gz OAOUVFBWCISYSZ-QWRGUYRKSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000923502243 621188381 /nfs/dbraw/zinc/18/83/81/621188381.db2.gz ARYIJXXQQIFYMZ-WDEREUQCSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000923502243 621188382 /nfs/dbraw/zinc/18/83/82/621188382.db2.gz ARYIJXXQQIFYMZ-WDEREUQCSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923497893 621188799 /nfs/dbraw/zinc/18/87/99/621188799.db2.gz NDYPKQLCYOKGNG-QWHCGFSZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923496975 621188822 /nfs/dbraw/zinc/18/88/22/621188822.db2.gz KRHIGRGRGRYYJG-TZMCWYRMSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923497890 621188876 /nfs/dbraw/zinc/18/88/76/621188876.db2.gz NDYPKQLCYOKGNG-CHWSQXEVSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1C[NH3+] ZINC000923497458 621188901 /nfs/dbraw/zinc/18/89/01/621188901.db2.gz LVEIOCMHABYVNO-RYUDHWBXSA-N 2 1 307.488 3.288 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202800 621351670 /nfs/dbraw/zinc/35/16/70/621351670.db2.gz OSLHBIOFSYNFCB-OAHLLOKOSA-N 2 1 323.868 3.063 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202800 621351672 /nfs/dbraw/zinc/35/16/72/621351672.db2.gz OSLHBIOFSYNFCB-OAHLLOKOSA-N 2 1 323.868 3.063 20 0 DGADMP Cc1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccnc1F ZINC000862274442 621570220 /nfs/dbraw/zinc/57/02/20/621570220.db2.gz NRRSYLXKCLHAIU-UHFFFAOYSA-N 2 1 305.441 3.273 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863483262 621677340 /nfs/dbraw/zinc/67/73/40/621677340.db2.gz TXRKQDKUWVYJKJ-SWLSCSKDSA-N 2 1 323.278 3.254 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccc(CN3CCC([NH3+])CC3)cc2)cc1 ZINC000863692300 621701633 /nfs/dbraw/zinc/70/16/33/621701633.db2.gz VFUGPINAYDMFOM-UHFFFAOYSA-N 2 1 323.484 3.338 20 0 DGADMP CCCCCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000759405531 621854248 /nfs/dbraw/zinc/85/42/48/621854248.db2.gz ZBGDEYBKPOGNEJ-WDSOQIARSA-N 2 1 308.510 3.266 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865405770 621911928 /nfs/dbraw/zinc/91/19/28/621911928.db2.gz VVEVKKLCOBKBJG-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865416411 621914852 /nfs/dbraw/zinc/91/48/52/621914852.db2.gz YCEPGAFLIXQPMY-CQSZACIVSA-N 2 1 317.433 3.135 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865438086 621921670 /nfs/dbraw/zinc/92/16/70/621921670.db2.gz ZIOAJKILCGPGCD-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865438086 621921674 /nfs/dbraw/zinc/92/16/74/621921674.db2.gz ZIOAJKILCGPGCD-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000865476723 621930518 /nfs/dbraw/zinc/93/05/18/621930518.db2.gz HNKPHZGZFIEELD-ALOPSCKCSA-N 2 1 306.425 3.329 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000866392753 622109927 /nfs/dbraw/zinc/10/99/27/622109927.db2.gz GOVKZSSNYPNKRS-MJGOQNOKSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000866392753 622109929 /nfs/dbraw/zinc/10/99/29/622109929.db2.gz GOVKZSSNYPNKRS-MJGOQNOKSA-N 2 1 301.478 3.490 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866392366 622110024 /nfs/dbraw/zinc/11/00/24/622110024.db2.gz AUESAQSXIGLZFT-QFBILLFUSA-N 2 1 301.478 3.114 20 0 DGADMP Cc1cc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c2cc1F ZINC000866492916 622126788 /nfs/dbraw/zinc/12/67/88/622126788.db2.gz UVXYEVANSAGBBJ-DZGCQCFKSA-N 2 1 303.425 3.230 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562233 622138067 /nfs/dbraw/zinc/13/80/67/622138067.db2.gz QFWLYYMGERNXCJ-WMZOPIPTSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866562233 622138069 /nfs/dbraw/zinc/13/80/69/622138069.db2.gz QFWLYYMGERNXCJ-WMZOPIPTSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC[N@@H+]1C ZINC000866607832 622145708 /nfs/dbraw/zinc/14/57/08/622145708.db2.gz HHWMPYBSBRNTLK-LZQZEXGQSA-N 2 1 301.478 3.255 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC[N@H+]1C ZINC000866607832 622145709 /nfs/dbraw/zinc/14/57/09/622145709.db2.gz HHWMPYBSBRNTLK-LZQZEXGQSA-N 2 1 301.478 3.255 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866609439 622146111 /nfs/dbraw/zinc/14/61/11/622146111.db2.gz SBCOZGFFKWRVAB-IBGZPJMESA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccnn1C ZINC000866613792 622147150 /nfs/dbraw/zinc/14/71/50/622147150.db2.gz WBADXGCGCPOOFN-VYDXJSESSA-N 2 1 304.482 3.114 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000866634212 622150951 /nfs/dbraw/zinc/15/09/51/622150951.db2.gz CAKPGQWGDYBWJK-JJRVBVJISA-N 2 1 301.434 3.381 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664725 622154230 /nfs/dbraw/zinc/15/42/30/622154230.db2.gz KXHAKQYVLGGXEE-UONOGXRCSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664725 622154231 /nfs/dbraw/zinc/15/42/31/622154231.db2.gz KXHAKQYVLGGXEE-UONOGXRCSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664726 622154275 /nfs/dbraw/zinc/15/42/75/622154275.db2.gz KXHAKQYVLGGXEE-ZIAGYGMSSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664726 622154276 /nfs/dbraw/zinc/15/42/76/622154276.db2.gz KXHAKQYVLGGXEE-ZIAGYGMSSA-N 2 1 323.868 3.036 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000866697331 622157538 /nfs/dbraw/zinc/15/75/38/622157538.db2.gz MUCGSWJXATYRBP-IBGZPJMESA-N 2 1 314.473 3.256 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H](OC3CCC3)CC1)C[NH2+]CC2 ZINC000866697109 622157790 /nfs/dbraw/zinc/15/77/90/622157790.db2.gz GASCVXORYKTYOW-FQEVSTJZSA-N 2 1 314.473 3.256 20 0 DGADMP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705021 622158055 /nfs/dbraw/zinc/15/80/55/622158055.db2.gz RUWNDOPQJBEUGZ-HNAYVOBHSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705021 622158058 /nfs/dbraw/zinc/15/80/58/622158058.db2.gz RUWNDOPQJBEUGZ-HNAYVOBHSA-N 2 1 317.477 3.019 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000866705803 622158615 /nfs/dbraw/zinc/15/86/15/622158615.db2.gz BTLAXEZTIXUHMV-QGZVFWFLSA-N 2 1 303.475 3.493 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000866705803 622158619 /nfs/dbraw/zinc/15/86/19/622158619.db2.gz BTLAXEZTIXUHMV-QGZVFWFLSA-N 2 1 303.475 3.493 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925494280 622272720 /nfs/dbraw/zinc/27/27/20/622272720.db2.gz KCVZFFDCUPKHJL-NZSAHSFTSA-N 2 1 313.489 3.086 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000765757361 622285324 /nfs/dbraw/zinc/28/53/24/622285324.db2.gz DDVMEHBKKKNODF-CVEARBPZSA-N 2 1 323.444 3.364 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000765796550 622287910 /nfs/dbraw/zinc/28/79/10/622287910.db2.gz MIYFMHFMHVZCAH-UFYCRDLUSA-N 2 1 316.489 3.015 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000765796550 622287912 /nfs/dbraw/zinc/28/79/12/622287912.db2.gz MIYFMHFMHVZCAH-UFYCRDLUSA-N 2 1 316.489 3.015 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000765979250 622297851 /nfs/dbraw/zinc/29/78/51/622297851.db2.gz WWTQTQRUVKJKGL-KSSFIOAISA-N 2 1 306.425 3.120 20 0 DGADMP Cc1ccc(N2CC[N@H+](CC[C@H]3CCC[NH+]3C)[C@H](C)C2)cc1C ZINC000767416932 622397402 /nfs/dbraw/zinc/39/74/02/622397402.db2.gz ZIUYXRHZOKGSLX-RTBURBONSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[N@@H+](CC[C@H]3CCC[NH+]3C)[C@H](C)C2)cc1C ZINC000767416932 622397405 /nfs/dbraw/zinc/39/74/05/622397405.db2.gz ZIUYXRHZOKGSLX-RTBURBONSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1C ZINC000767416932 622397408 /nfs/dbraw/zinc/39/74/08/622397408.db2.gz ZIUYXRHZOKGSLX-RTBURBONSA-N 2 1 315.505 3.298 20 0 DGADMP Cc1ccc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)[C@H](C)C2)cc1C ZINC000767416932 622397410 /nfs/dbraw/zinc/39/74/10/622397410.db2.gz ZIUYXRHZOKGSLX-RTBURBONSA-N 2 1 315.505 3.298 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000768927731 622486197 /nfs/dbraw/zinc/48/61/97/622486197.db2.gz VTJLJVCXJFGKTI-UHFFFAOYSA-N 2 1 302.462 3.269 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)CC1CC[NH+](C)CC1 ZINC000769332167 622518691 /nfs/dbraw/zinc/51/86/91/622518691.db2.gz YCRKPCXIHIADFL-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1COC2 ZINC000769467519 622530211 /nfs/dbraw/zinc/53/02/11/622530211.db2.gz XKHKKAGFCXCFAZ-LJQANCHMSA-N 2 1 300.446 3.167 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1COC2 ZINC000769467519 622530214 /nfs/dbraw/zinc/53/02/14/622530214.db2.gz XKHKKAGFCXCFAZ-LJQANCHMSA-N 2 1 300.446 3.167 20 0 DGADMP Cc1cc(N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nc(C)[nH+]1 ZINC000871666899 622661539 /nfs/dbraw/zinc/66/15/39/622661539.db2.gz VEVUEQYEGRHKRF-NVXWUHKLSA-N 2 1 302.466 3.217 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](COC(C)C)Cc2ccc(F)cc2)CC1 ZINC000872019062 622755665 /nfs/dbraw/zinc/75/56/65/622755665.db2.gz SXMRNVJHUVFOHL-LJQANCHMSA-N 2 1 322.468 3.236 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037283 622766889 /nfs/dbraw/zinc/76/68/89/622766889.db2.gz AGOALMZXCRQJGF-SNRMKQJTSA-N 2 1 322.468 3.234 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037283 622766891 /nfs/dbraw/zinc/76/68/91/622766891.db2.gz AGOALMZXCRQJGF-SNRMKQJTSA-N 2 1 322.468 3.234 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000872080675 622793965 /nfs/dbraw/zinc/79/39/65/622793965.db2.gz BRPJDDUNLSFFMW-ZRNYENFQSA-N 2 1 316.489 3.127 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000872148458 622833123 /nfs/dbraw/zinc/83/31/23/622833123.db2.gz PJLYGHDMNJBWLA-UKRRQHHQSA-N 2 1 316.367 3.012 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146792 622833828 /nfs/dbraw/zinc/83/38/28/622833828.db2.gz XKLKGWHDTGMSRF-HZPDHXFCSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146792 622833836 /nfs/dbraw/zinc/83/38/36/622833836.db2.gz XKLKGWHDTGMSRF-HZPDHXFCSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146792 622833843 /nfs/dbraw/zinc/83/38/43/622833843.db2.gz XKLKGWHDTGMSRF-HZPDHXFCSA-N 2 1 304.482 3.102 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)C[C@@H]1C(F)(F)F ZINC000872151314 622835198 /nfs/dbraw/zinc/83/51/98/622835198.db2.gz VBBDCLARSKIRCR-SJORKVTESA-N 2 1 322.374 3.451 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156269 622836037 /nfs/dbraw/zinc/83/60/37/622836037.db2.gz HELWEADPBNXEDC-LPHOPBHVSA-N 2 1 301.478 3.388 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)oc1C ZINC000872156130 622836808 /nfs/dbraw/zinc/83/68/08/622836808.db2.gz FDLJTQUEMMBDDY-WBVHZDCISA-N 2 1 305.466 3.411 20 0 DGADMP CC(C)c1noc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157732 622837916 /nfs/dbraw/zinc/83/79/16/622837916.db2.gz QGFPBMSAVPMRTP-GDBMZVCRSA-N 2 1 320.481 3.313 20 0 DGADMP CC(C)c1noc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157732 622837923 /nfs/dbraw/zinc/83/79/23/622837923.db2.gz QGFPBMSAVPMRTP-GDBMZVCRSA-N 2 1 320.481 3.313 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000872157695 622838408 /nfs/dbraw/zinc/83/84/08/622838408.db2.gz PRRGIPAQROCVNT-UYAOXDASSA-N 3 1 321.553 3.482 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157695 622838414 /nfs/dbraw/zinc/83/84/14/622838414.db2.gz PRRGIPAQROCVNT-UYAOXDASSA-N 2 1 321.553 3.482 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1)C1CCCC1 ZINC000872157695 622838417 /nfs/dbraw/zinc/83/84/17/622838417.db2.gz PRRGIPAQROCVNT-UYAOXDASSA-N 2 1 321.553 3.482 20 0 DGADMP CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158676 622840628 /nfs/dbraw/zinc/84/06/28/622840628.db2.gz WVZKMRCCNQNMSF-SQWLQELKSA-N 2 1 319.497 3.048 20 0 DGADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158676 622840635 /nfs/dbraw/zinc/84/06/35/622840635.db2.gz WVZKMRCCNQNMSF-SQWLQELKSA-N 2 1 319.497 3.048 20 0 DGADMP Oc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873208491 623075357 /nfs/dbraw/zinc/07/53/57/623075357.db2.gz OYCVRTTUOSAZRD-QGZVFWFLSA-N 2 1 314.454 3.437 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000873222903 623080027 /nfs/dbraw/zinc/08/00/27/623080027.db2.gz DLGLJBORBRUDBP-HNAYVOBHSA-N 2 1 302.462 3.250 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000873225557 623081345 /nfs/dbraw/zinc/08/13/45/623081345.db2.gz SSFDUYBOQZGYEG-VQIMIIECSA-N 2 1 302.462 3.264 20 0 DGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873227418 623081480 /nfs/dbraw/zinc/08/14/80/623081480.db2.gz GTKZPKMJZIIKBZ-FZMZJTMJSA-N 2 1 312.335 3.310 20 0 DGADMP CCn1nccc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232255 623084505 /nfs/dbraw/zinc/08/45/05/623084505.db2.gz NTMQUQYSWOZOTE-QAPCUYQASA-N 2 1 304.482 3.023 20 0 DGADMP CCc1noc(C2CCC([NH2+]C[C@@H]3CCC(C)(C)C[NH2+]3)CC2)n1 ZINC000873238221 623086898 /nfs/dbraw/zinc/08/68/98/623086898.db2.gz YKJRODYBMSXODE-NRXISQOPSA-N 2 1 320.481 3.026 20 0 DGADMP Cc1cc(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000775016962 623216844 /nfs/dbraw/zinc/21/68/44/623216844.db2.gz PKNVTCNZLSBKFK-UHFFFAOYSA-N 2 1 309.251 3.109 20 0 DGADMP CCCc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000775304365 623251883 /nfs/dbraw/zinc/25/18/83/623251883.db2.gz BYVNNDPPCAPHAL-HXUWFJFHSA-N 2 1 316.489 3.372 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000775953891 623357648 /nfs/dbraw/zinc/35/76/48/623357648.db2.gz CPVYLOQFMXTFBW-XLIONFOSSA-N 2 1 316.489 3.098 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000777013752 623486303 /nfs/dbraw/zinc/48/63/03/623486303.db2.gz WXZHHCIFFOXGSW-VHDGCEQUSA-N 2 1 322.415 3.196 20 0 DGADMP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000777545478 623539420 /nfs/dbraw/zinc/53/94/20/623539420.db2.gz SIIVYIZYTNWRLP-SJLPKXTDSA-N 2 1 319.493 3.302 20 0 DGADMP CO[C@@H](C)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692914 623557022 /nfs/dbraw/zinc/55/70/22/623557022.db2.gz GPAPQSSIGAAHNH-CVEARBPZSA-N 2 1 319.493 3.300 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000779037624 623724259 /nfs/dbraw/zinc/72/42/59/623724259.db2.gz NCJRJZCQNWAHRA-AWEZNQCLSA-N 2 1 304.482 3.413 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000876924174 623745121 /nfs/dbraw/zinc/74/51/21/623745121.db2.gz NCGKINQIFGRYEM-QYWGDWMGSA-N 2 1 318.442 3.419 20 0 DGADMP CSC(C)(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876950978 623752633 /nfs/dbraw/zinc/75/26/33/623752633.db2.gz CKWUCHMDIKUCIV-UHFFFAOYSA-N 2 1 304.463 3.197 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCc2ccc(C)cc2)cn1 ZINC000876951458 623752682 /nfs/dbraw/zinc/75/26/82/623752682.db2.gz MVJYEDXLYCNZTD-UHFFFAOYSA-N 2 1 306.413 3.216 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876991501 623762144 /nfs/dbraw/zinc/76/21/44/623762144.db2.gz PKGSTSTXYVDGLS-UHFFFAOYSA-N 2 1 306.822 3.244 20 0 DGADMP C[C@@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000779343691 623762189 /nfs/dbraw/zinc/76/21/89/623762189.db2.gz YZSXXLDUSBCANM-BBWFWOEESA-N 2 1 304.478 3.025 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877073760 623784459 /nfs/dbraw/zinc/78/44/59/623784459.db2.gz RVUNAMPSVXPRRM-DZGCQCFKSA-N 2 1 319.399 3.475 20 0 DGADMP C[C@@]1(C[NH2+]CCC[C@@H]2CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496762 623911672 /nfs/dbraw/zinc/91/16/72/623911672.db2.gz YDZVBKFLMXBTPD-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531048 623927676 /nfs/dbraw/zinc/92/76/76/623927676.db2.gz IOVMFHQGJATSIN-BXUZGUMPSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531048 623927683 /nfs/dbraw/zinc/92/76/83/623927683.db2.gz IOVMFHQGJATSIN-BXUZGUMPSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531048 623927688 /nfs/dbraw/zinc/92/76/88/623927688.db2.gz IOVMFHQGJATSIN-BXUZGUMPSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531048 623927695 /nfs/dbraw/zinc/92/76/95/623927695.db2.gz IOVMFHQGJATSIN-BXUZGUMPSA-N 2 1 307.825 3.253 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC000877684754 623992135 /nfs/dbraw/zinc/99/21/35/623992135.db2.gz WAYCELBFUIDXDP-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737444 624011042 /nfs/dbraw/zinc/01/10/42/624011042.db2.gz GFJJGJPCOPMQQF-HOTGVXAUSA-N 2 1 312.379 3.317 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737444 624011044 /nfs/dbraw/zinc/01/10/44/624011044.db2.gz GFJJGJPCOPMQQF-HOTGVXAUSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737444 624011046 /nfs/dbraw/zinc/01/10/46/624011046.db2.gz GFJJGJPCOPMQQF-HOTGVXAUSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000877737444 624011050 /nfs/dbraw/zinc/01/10/50/624011050.db2.gz GFJJGJPCOPMQQF-HOTGVXAUSA-N 2 1 312.379 3.317 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c2ccccc12 ZINC000877744483 624017296 /nfs/dbraw/zinc/01/72/96/624017296.db2.gz USPJVOYIWUWHRZ-VQIMIIECSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c2ccccc12 ZINC000877744483 624017299 /nfs/dbraw/zinc/01/72/99/624017299.db2.gz USPJVOYIWUWHRZ-VQIMIIECSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c2ccccc12 ZINC000877744483 624017305 /nfs/dbraw/zinc/01/73/05/624017305.db2.gz USPJVOYIWUWHRZ-VQIMIIECSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)CC(C)(C)C ZINC000878324865 624245752 /nfs/dbraw/zinc/24/57/52/624245752.db2.gz PJHVSQUTYXKYSB-RCCFBDPRSA-N 2 1 309.542 3.017 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC000878448360 624280633 /nfs/dbraw/zinc/28/06/33/624280633.db2.gz XVQOXALZGLYJOA-AEFFLSMTSA-N 2 1 308.510 3.293 20 0 DGADMP c1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)cc1 ZINC000782759532 624280992 /nfs/dbraw/zinc/28/09/92/624280992.db2.gz ZWLOPFKUXDNLCI-JXFKEZNVSA-N 2 1 314.473 3.228 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878512895 624295151 /nfs/dbraw/zinc/29/51/51/624295151.db2.gz SSTGQXFBJFQFKG-MRXNPFEDSA-N 2 1 305.466 3.117 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878512895 624295152 /nfs/dbraw/zinc/29/51/52/624295152.db2.gz SSTGQXFBJFQFKG-MRXNPFEDSA-N 2 1 305.466 3.117 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878662353 624334130 /nfs/dbraw/zinc/33/41/30/624334130.db2.gz OWPWVZDZHYYKCS-XUVXKRRUSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878662353 624334132 /nfs/dbraw/zinc/33/41/32/624334132.db2.gz OWPWVZDZHYYKCS-XUVXKRRUSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878662353 624334135 /nfs/dbraw/zinc/33/41/35/624334135.db2.gz OWPWVZDZHYYKCS-XUVXKRRUSA-N 2 1 314.473 3.324 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000878668471 624335962 /nfs/dbraw/zinc/33/59/62/624335962.db2.gz WZEOXUKGSYALHY-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000879210342 624452007 /nfs/dbraw/zinc/45/20/07/624452007.db2.gz ZASPHUUNOUEQPA-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP CCCCc1noc([C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879248607 624464067 /nfs/dbraw/zinc/46/40/67/624464067.db2.gz QTMUAVHJNVBKQV-OAHLLOKOSA-N 2 1 320.481 3.281 20 0 DGADMP Cc1ccc(-c2cc(CN3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568841 624594116 /nfs/dbraw/zinc/59/41/16/624594116.db2.gz DHFAZBYAEIOZRR-LPHOPBHVSA-N 2 1 311.429 3.176 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578697 624598395 /nfs/dbraw/zinc/59/83/95/624598395.db2.gz VMVIIZMBYBFUEJ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578697 624598400 /nfs/dbraw/zinc/59/84/00/624598400.db2.gz VMVIIZMBYBFUEJ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578697 624598403 /nfs/dbraw/zinc/59/84/03/624598403.db2.gz VMVIIZMBYBFUEJ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578697 624598405 /nfs/dbraw/zinc/59/84/05/624598405.db2.gz VMVIIZMBYBFUEJ-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP CC(C)C[N@@H+](Cc1noc(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879702615 624645547 /nfs/dbraw/zinc/64/55/47/624645547.db2.gz RZDHOYXSJCHUBS-UHFFFAOYSA-N 2 1 322.497 3.167 20 0 DGADMP CC(C)C[N@H+](Cc1noc(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879702615 624645548 /nfs/dbraw/zinc/64/55/48/624645548.db2.gz RZDHOYXSJCHUBS-UHFFFAOYSA-N 2 1 322.497 3.167 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000879733075 624656282 /nfs/dbraw/zinc/65/62/82/624656282.db2.gz YREHXXWDJWKIDP-QGZVFWFLSA-N 2 1 313.445 3.470 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000879733075 624656285 /nfs/dbraw/zinc/65/62/85/624656285.db2.gz YREHXXWDJWKIDP-QGZVFWFLSA-N 2 1 313.445 3.470 20 0 DGADMP CCn1cc(CC[NH+]2CCC(CC)([NH+]3CCCCC3)CC2)cn1 ZINC000880255804 624873716 /nfs/dbraw/zinc/87/37/16/624873716.db2.gz YRTWLMKUHVASGP-UHFFFAOYSA-N 2 1 318.509 3.176 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259483 624874756 /nfs/dbraw/zinc/87/47/56/624874756.db2.gz ULRKKLBCZNMGCI-CHWSQXEVSA-N 2 1 314.260 3.176 20 0 DGADMP C[C@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259485 624874813 /nfs/dbraw/zinc/87/48/13/624874813.db2.gz ULRKKLBCZNMGCI-QWHCGFSZSA-N 2 1 314.260 3.176 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC000880260686 624875271 /nfs/dbraw/zinc/87/52/71/624875271.db2.gz RFHBDQVAFMIHEC-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP FC[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](CF)C3)c2)C1 ZINC000880297445 624900468 /nfs/dbraw/zinc/90/04/68/624900468.db2.gz OHXNVPGABSDGKG-QZTJIDSGSA-N 2 1 308.416 3.269 20 0 DGADMP FC[C@@H]1CC[NH+](C[C@@H](C[N@@H+]2CC[C@H](CF)C2)C2CCCC2)C1 ZINC000880300907 624902275 /nfs/dbraw/zinc/90/22/75/624902275.db2.gz JJHBTTKWHWPBCR-ALXJQNPVSA-N 2 1 314.464 3.376 20 0 DGADMP FC[C@@H]1CC[N@@H+](C[C@@H](C[NH+]2CC[C@H](CF)C2)C2CCCC2)C1 ZINC000880300907 624902278 /nfs/dbraw/zinc/90/22/78/624902278.db2.gz JJHBTTKWHWPBCR-ALXJQNPVSA-N 2 1 314.464 3.376 20 0 DGADMP FC[C@@H]1CC[N@H+](C[C@@H](C[NH+]2CC[C@H](CF)C2)C2CCCC2)C1 ZINC000880300907 624902281 /nfs/dbraw/zinc/90/22/81/624902281.db2.gz JJHBTTKWHWPBCR-ALXJQNPVSA-N 2 1 314.464 3.376 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788475994 625191240 /nfs/dbraw/zinc/19/12/40/625191240.db2.gz KXHASOKCYFWGTA-SFHVURJKSA-N 2 1 302.462 3.044 20 0 DGADMP CC(C)c1c[nH]c(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000883107218 625928953 /nfs/dbraw/zinc/92/89/53/625928953.db2.gz RKLPMKNFRABONN-QGZVFWFLSA-N 2 1 312.461 3.145 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1sccc1Cl ZINC000883187947 625961249 /nfs/dbraw/zinc/96/12/49/625961249.db2.gz ZZFSLJZQHCKQQJ-GXTWGEPZSA-N 2 1 315.914 3.078 20 0 DGADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883189221 625962196 /nfs/dbraw/zinc/96/21/96/625962196.db2.gz BMZXWVLVCVHZHE-KBAYOESNSA-N 2 1 308.510 3.434 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796418230 626048461 /nfs/dbraw/zinc/04/84/61/626048461.db2.gz NSWLUXYTDHVCJH-FQEVSTJZSA-N 2 1 318.505 3.472 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796754642 626078873 /nfs/dbraw/zinc/07/88/73/626078873.db2.gz KHDNJWSGWLFCLM-YQVWRLOYSA-N 2 1 301.478 3.105 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000796930881 626096936 /nfs/dbraw/zinc/09/69/36/626096936.db2.gz KRMXWYHETWGXHP-XOUADPBQSA-N 2 1 305.491 3.291 20 0 DGADMP C[NH+](C)Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000798938559 626261853 /nfs/dbraw/zinc/26/18/53/626261853.db2.gz YVVAGZMAKGAZGM-MQVJKMGUSA-N 2 1 307.869 3.439 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000798956722 626262470 /nfs/dbraw/zinc/26/24/70/626262470.db2.gz LFUZAOCTFJKJSO-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000800346886 626353359 /nfs/dbraw/zinc/35/33/59/626353359.db2.gz LDZGBUMTCHCHAW-YJBOKZPZSA-N 2 1 322.880 3.037 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000800362617 626353856 /nfs/dbraw/zinc/35/38/56/626353856.db2.gz SNHYITABDBQUQX-XYPHTWIQSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000800362617 626353859 /nfs/dbraw/zinc/35/38/59/626353859.db2.gz SNHYITABDBQUQX-XYPHTWIQSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000800362617 626353860 /nfs/dbraw/zinc/35/38/60/626353860.db2.gz SNHYITABDBQUQX-XYPHTWIQSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000800362617 626353863 /nfs/dbraw/zinc/35/38/63/626353863.db2.gz SNHYITABDBQUQX-XYPHTWIQSA-N 2 1 310.869 3.036 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000883263294 626628852 /nfs/dbraw/zinc/62/88/52/626628852.db2.gz OYCJMVMAJSWJMC-IYARVYRRSA-N 2 1 304.478 3.159 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2cc(C3CC3)ccc2OC)[C@H](C)C1 ZINC000883264532 626629305 /nfs/dbraw/zinc/62/93/05/626629305.db2.gz DIAXJCCKMPLFRR-KDOFPFPSSA-N 2 1 302.462 3.393 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)ccc2OC)[C@H](C)C1 ZINC000883264532 626629309 /nfs/dbraw/zinc/62/93/09/626629309.db2.gz DIAXJCCKMPLFRR-KDOFPFPSSA-N 2 1 302.462 3.393 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000131458314 626640023 /nfs/dbraw/zinc/64/00/23/626640023.db2.gz WGUGXEUAGPMMOM-MRXNPFEDSA-N 2 1 317.477 3.196 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883329425 626649706 /nfs/dbraw/zinc/64/97/06/626649706.db2.gz KFCIHRDKEMXBGH-ZBFHGGJFSA-N 2 1 318.461 3.371 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883329425 626649709 /nfs/dbraw/zinc/64/97/09/626649709.db2.gz KFCIHRDKEMXBGH-ZBFHGGJFSA-N 2 1 318.461 3.371 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)cc1 ZINC000883378739 626666904 /nfs/dbraw/zinc/66/69/04/626666904.db2.gz XAVKQLAFPDIIIJ-UHFFFAOYSA-N 2 1 314.473 3.200 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000883410798 626677127 /nfs/dbraw/zinc/67/71/27/626677127.db2.gz JJOAOEHTDFWDFE-SFHVURJKSA-N 2 1 324.472 3.256 20 0 DGADMP Brc1ccccc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424211 626679368 /nfs/dbraw/zinc/67/93/68/626679368.db2.gz KNOKBQSYEFZNRA-UHFFFAOYSA-N 2 1 323.278 3.067 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)C1CCCCC1 ZINC000883430136 626680769 /nfs/dbraw/zinc/68/07/69/626680769.db2.gz NTPGEKNQYKZWDA-GBESFXJTSA-N 2 1 302.462 3.404 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CC[C@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434089 626681287 /nfs/dbraw/zinc/68/12/87/626681287.db2.gz GQFFWDMWPGINIA-NZSAHSFTSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[NH+]3CCC4(CC[NH2+]4)CC3)O2)cc1 ZINC000883433635 626681583 /nfs/dbraw/zinc/68/15/83/626681583.db2.gz VIMVTSADQLLDQS-ROUUACIJSA-N 2 1 300.446 3.125 20 0 DGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000806131416 626700194 /nfs/dbraw/zinc/70/01/94/626700194.db2.gz KUTHNCVKCHBKQX-HNNXBMFYSA-N 2 1 305.853 3.186 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3nccn32)cc1 ZINC000809738659 626943942 /nfs/dbraw/zinc/94/39/42/626943942.db2.gz DIMNYPJQXYFBQP-UHFFFAOYSA-N 2 1 308.429 3.028 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885969667 627073466 /nfs/dbraw/zinc/07/34/66/627073466.db2.gz ZKCJTGFWXHZCCA-WBVHZDCISA-N 2 1 305.466 3.299 20 0 DGADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000885985434 627076025 /nfs/dbraw/zinc/07/60/25/627076025.db2.gz IADVVHXNDBRBFQ-GBESFXJTSA-N 2 1 306.494 3.001 20 0 DGADMP Fc1cccc(/C=C/C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000885983451 627076334 /nfs/dbraw/zinc/07/63/34/627076334.db2.gz HCBFDFAMPKKFAK-KPUAHBEZSA-N 2 1 318.436 3.072 20 0 DGADMP C[N@H+](C[C@H]1C[C@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067213 627097933 /nfs/dbraw/zinc/09/79/33/627097933.db2.gz IMHDQHSNYPMFBM-QUCCMNQESA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](C[C@H]1C[C@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067213 627097937 /nfs/dbraw/zinc/09/79/37/627097937.db2.gz IMHDQHSNYPMFBM-QUCCMNQESA-N 2 1 314.473 3.009 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCSC(F)(F)F ZINC000886171701 627117285 /nfs/dbraw/zinc/11/72/85/627117285.db2.gz MGGULVYPWITTHA-UHFFFAOYSA-N 2 1 309.401 3.411 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCSC(F)(F)F ZINC000886171701 627117287 /nfs/dbraw/zinc/11/72/87/627117287.db2.gz MGGULVYPWITTHA-UHFFFAOYSA-N 2 1 309.401 3.411 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000886290358 627132271 /nfs/dbraw/zinc/13/22/71/627132271.db2.gz CBQJKNSKTYCZQO-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)s1 ZINC000886343524 627140772 /nfs/dbraw/zinc/14/07/72/627140772.db2.gz ZNKWAALNVCIKIL-MRXNPFEDSA-N 2 1 323.506 3.034 20 0 DGADMP CC[C@@H](C[NH+](C)[C@H]1CC[C@H]([N@H+](C)C[C@H](CC)OC)CC1)OC ZINC000886389518 627145736 /nfs/dbraw/zinc/14/57/36/627145736.db2.gz MLWFXHOLZHWFOY-XSLAGTTESA-N 2 1 314.514 3.011 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886522665 627156648 /nfs/dbraw/zinc/15/66/48/627156648.db2.gz OKRQCMLGXCAWCT-XEVCZEQESA-N 3 1 321.553 3.494 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000886551760 627161743 /nfs/dbraw/zinc/16/17/43/627161743.db2.gz NZDINYQFAKURQG-UPTPFMHGSA-N 2 1 302.466 3.174 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886625757 627175843 /nfs/dbraw/zinc/17/58/43/627175843.db2.gz ZJARUKYCFRGUQW-FFGOWVMKSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886642003 627178426 /nfs/dbraw/zinc/17/84/26/627178426.db2.gz XGDJRSLCSAYDPD-LMDPOFIKSA-N 2 1 307.526 3.105 20 0 DGADMP CCOC(=O)CCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659641 627182279 /nfs/dbraw/zinc/18/22/79/627182279.db2.gz RJRDFNGJOBHQIM-UHFFFAOYSA-N 2 1 321.465 3.329 20 0 DGADMP Cc1[nH]c(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)[nH+]c1C ZINC000886659958 627182739 /nfs/dbraw/zinc/18/27/39/627182739.db2.gz ZSTFENWCCYZHOA-UHFFFAOYSA-N 2 1 309.417 3.282 20 0 DGADMP Cc1[nH]c(C2CCN(CC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)[nH+]c1C ZINC000886661038 627183104 /nfs/dbraw/zinc/18/31/04/627183104.db2.gz KSZWCGUBRDGVMV-GASCZTMLSA-N 2 1 318.509 3.184 20 0 DGADMP CCOc1cccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)n1 ZINC000886663015 627183638 /nfs/dbraw/zinc/18/36/38/627183638.db2.gz RIAJZARTSQNLIS-UHFFFAOYSA-N 2 1 314.433 3.200 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)[nH+]c1C ZINC000886666234 627184406 /nfs/dbraw/zinc/18/44/06/627184406.db2.gz PFXYECAAJMEPTM-SFHVURJKSA-N 2 1 313.445 3.248 20 0 DGADMP Cc1csc(C[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000886694248 627192656 /nfs/dbraw/zinc/19/26/56/627192656.db2.gz RUDRFVBUHAXQBY-HZPDHXFCSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000886694248 627192660 /nfs/dbraw/zinc/19/26/60/627192660.db2.gz RUDRFVBUHAXQBY-HZPDHXFCSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000886694248 627192662 /nfs/dbraw/zinc/19/26/62/627192662.db2.gz RUDRFVBUHAXQBY-HZPDHXFCSA-N 2 1 307.507 3.190 20 0 DGADMP CCC1([NH+]2CCC2)CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000886717695 627197145 /nfs/dbraw/zinc/19/71/45/627197145.db2.gz GOCHWQJIQMQEKK-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000886776249 627203576 /nfs/dbraw/zinc/20/35/76/627203576.db2.gz AIAYPSKVQNUWFJ-XLAORIBOSA-N 2 1 306.494 3.188 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCOCC2)cc1 ZINC000925496379 627573850 /nfs/dbraw/zinc/57/38/50/627573850.db2.gz BAFQRPZHOYETCT-MSOLQXFVSA-N 2 1 300.446 3.029 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000924569462 627650751 /nfs/dbraw/zinc/65/07/51/627650751.db2.gz HWXOJOISPIFKOR-NRFANRHFSA-N 2 1 323.484 3.309 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924689589 627668219 /nfs/dbraw/zinc/66/82/19/627668219.db2.gz YSOYPSNUSZOHIR-NZSAHSFTSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924711015 627671568 /nfs/dbraw/zinc/67/15/68/627671568.db2.gz DWAHTXTWIOCBFU-MRXNPFEDSA-N 2 1 315.505 3.273 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccnn1CC1CCC1)C[NH+]1CCCC1 ZINC000924715199 627672231 /nfs/dbraw/zinc/67/22/31/627672231.db2.gz KSRYRQFUUKOVEF-HZPDHXFCSA-N 2 1 304.482 3.066 20 0 DGADMP CC[NH+](CC)CCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444815 627674222 /nfs/dbraw/zinc/67/42/22/627674222.db2.gz KUKLEFGFMWJZTF-QGZVFWFLSA-N 2 1 310.482 3.059 20 0 DGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000924811996 627683028 /nfs/dbraw/zinc/68/30/28/627683028.db2.gz SGRGCQGTVVOGLG-VOBGVNJCSA-N 2 1 316.489 3.412 20 0 DGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000924811994 627683113 /nfs/dbraw/zinc/68/31/13/627683113.db2.gz SGRGCQGTVVOGLG-OHSMVPPVSA-N 2 1 316.489 3.412 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000815579092 627687163 /nfs/dbraw/zinc/68/71/63/627687163.db2.gz DYWDRCMPOLRXMG-QZTJIDSGSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924872128 627688983 /nfs/dbraw/zinc/68/89/83/627688983.db2.gz FMTJAEYZEZVMJT-OAGGEKHMSA-N 2 1 322.518 3.221 20 0 DGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924872128 627688987 /nfs/dbraw/zinc/68/89/87/627688987.db2.gz FMTJAEYZEZVMJT-OAGGEKHMSA-N 2 1 322.518 3.221 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924950221 627696263 /nfs/dbraw/zinc/69/62/63/627696263.db2.gz IMYTXSHIZFGFDM-CABCVRRESA-N 2 1 315.461 3.406 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccnn2C2CCC2)C1 ZINC000924961451 627697790 /nfs/dbraw/zinc/69/77/90/627697790.db2.gz VWLUWDDJWWNVIY-HOTGVXAUSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2C2CCC2)C1 ZINC000924961451 627697795 /nfs/dbraw/zinc/69/77/95/627697795.db2.gz VWLUWDDJWWNVIY-HOTGVXAUSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2C2CCC2)C1 ZINC000924961451 627697798 /nfs/dbraw/zinc/69/77/98/627697798.db2.gz VWLUWDDJWWNVIY-HOTGVXAUSA-N 2 1 304.482 3.379 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000924958372 627698082 /nfs/dbraw/zinc/69/80/82/627698082.db2.gz JQWADRPPAHKJOH-PMACEKPBSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccnn2C2CCC2)C1 ZINC000924961456 627698099 /nfs/dbraw/zinc/69/80/99/627698099.db2.gz VWLUWDDJWWNVIY-JKSUJKDBSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2C2CCC2)C1 ZINC000924961456 627698100 /nfs/dbraw/zinc/69/81/00/627698100.db2.gz VWLUWDDJWWNVIY-JKSUJKDBSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2C2CCC2)C1 ZINC000924961456 627698101 /nfs/dbraw/zinc/69/81/01/627698101.db2.gz VWLUWDDJWWNVIY-JKSUJKDBSA-N 2 1 304.482 3.379 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3CC4(C3)CCCC4)CC2)nc(C)[nH+]1 ZINC000925224987 627720456 /nfs/dbraw/zinc/72/04/56/627720456.db2.gz PMRXVNZCLPXEPA-UHFFFAOYSA-N 2 1 314.477 3.375 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(O)cc(F)c1 ZINC000925441088 627736651 /nfs/dbraw/zinc/73/66/51/627736651.db2.gz YGCODKCGQLOXDH-ZNMIVQPWSA-N 2 1 324.440 3.071 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C12CCC2 ZINC000925546726 627752110 /nfs/dbraw/zinc/75/21/10/627752110.db2.gz MOIPUPDCYYNMLW-IAGOWNOFSA-N 2 1 309.413 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925554314 627753562 /nfs/dbraw/zinc/75/35/62/627753562.db2.gz XYDNFKKNGAFJFR-HOJAQTOUSA-N 3 1 321.553 3.256 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925586503 627759064 /nfs/dbraw/zinc/75/90/64/627759064.db2.gz SSCQSIIPBDHHCW-IAOVAPTHSA-N 2 1 315.461 3.031 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925605790 627761641 /nfs/dbraw/zinc/76/16/41/627761641.db2.gz SQBOHFINYNDPAY-KBAYOESNSA-N 2 1 318.436 3.407 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605185 627761652 /nfs/dbraw/zinc/76/16/52/627761652.db2.gz DIGLEDQGFBSZGE-RTBURBONSA-N 3 1 303.494 3.177 20 0 DGADMP CC(C)[C@@H](CN[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605185 627761654 /nfs/dbraw/zinc/76/16/54/627761654.db2.gz DIGLEDQGFBSZGE-RTBURBONSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CCCN[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623912 627764200 /nfs/dbraw/zinc/76/42/00/627764200.db2.gz VUNWFUFLUBQCQX-XEYPJELSSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000925623912 627764208 /nfs/dbraw/zinc/76/42/08/627764208.db2.gz VUNWFUFLUBQCQX-XEYPJELSSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623912 627764214 /nfs/dbraw/zinc/76/42/14/627764214.db2.gz VUNWFUFLUBQCQX-XEYPJELSSA-N 3 1 315.505 3.017 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925641322 627768158 /nfs/dbraw/zinc/76/81/58/627768158.db2.gz XLUWLBCXJWMYRV-BZUAXINKSA-N 2 1 304.482 3.337 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925641198 627768530 /nfs/dbraw/zinc/76/85/30/627768530.db2.gz WRPAZLKGLKTCTA-FGTMMUONSA-N 2 1 300.446 3.171 20 0 DGADMP C[C@H](CCN[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000925647915 627769482 /nfs/dbraw/zinc/76/94/82/627769482.db2.gz KIUGBXAMFXJPQD-IEBWSBKVSA-N 2 1 303.494 3.321 20 0 DGADMP Fc1ccc2[nH]cc(CCC[NH2+][C@@H]3CC[NH2+]C34CCC4)c2c1 ZINC000925660540 627772332 /nfs/dbraw/zinc/77/23/32/627772332.db2.gz NOFCAMSFNYCJRL-QGZVFWFLSA-N 2 1 301.409 3.114 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000925702511 627778983 /nfs/dbraw/zinc/77/89/83/627778983.db2.gz AZAJNPBJCHUMMS-NRFANRHFSA-N 2 1 321.468 3.087 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@H]1CCCOC1 ZINC000925770434 627792147 /nfs/dbraw/zinc/79/21/47/627792147.db2.gz TXRYUJLRGMUWLF-RDGPPVDQSA-N 2 1 302.462 3.275 20 0 DGADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000925790397 627795563 /nfs/dbraw/zinc/79/55/63/627795563.db2.gz FSBOCBZNCKBRAM-QYZOEREBSA-N 2 1 314.473 3.071 20 0 DGADMP C[C@H](N)[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819898 627799954 /nfs/dbraw/zinc/79/99/54/627799954.db2.gz ARPVSBUPZHZHAQ-VHBXLISGSA-N 2 1 315.505 3.462 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1c[nH+]ccc1N ZINC000925837227 627803238 /nfs/dbraw/zinc/80/32/38/627803238.db2.gz CVHBLSPFFHJKAW-DJSGYFEHSA-N 2 1 303.356 3.194 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000925842418 627804533 /nfs/dbraw/zinc/80/45/33/627804533.db2.gz JLZFPRMLUBFTBO-JBBXEZCESA-N 2 1 322.424 3.026 20 0 DGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925848927 627805527 /nfs/dbraw/zinc/80/55/27/627805527.db2.gz LKXYYIAMAPBZGN-GOSISDBHSA-N 2 1 303.494 3.030 20 0 DGADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(C2CC2)c1 ZINC000925848011 627805850 /nfs/dbraw/zinc/80/58/50/627805850.db2.gz YIKGMAMXYHRQTN-KRWDZBQOSA-N 2 1 315.505 3.290 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)C1C[NH2+]C1 ZINC000925877031 627810376 /nfs/dbraw/zinc/81/03/76/627810376.db2.gz DJQIRGOTSLFSJX-QMIHWGKISA-N 2 1 308.425 3.449 20 0 DGADMP C[NH+](C)CCOc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926042311 627833527 /nfs/dbraw/zinc/83/35/27/627833527.db2.gz IIXZJJBQDDPOIF-RBUKOAKNSA-N 2 1 317.477 3.056 20 0 DGADMP C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120241 627847557 /nfs/dbraw/zinc/84/75/57/627847557.db2.gz WCTKIVSCGIKDGY-RGWLIJMNSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnn1C1CCC1 ZINC000926275162 627873094 /nfs/dbraw/zinc/87/30/94/627873094.db2.gz OASXIDJXKJUKJS-HNNXBMFYSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000926543269 627911594 /nfs/dbraw/zinc/91/15/94/627911594.db2.gz WACPNOJQUIUBIQ-AQXGTKIOSA-N 2 1 301.478 3.024 20 0 DGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000926543269 627911598 /nfs/dbraw/zinc/91/15/98/627911598.db2.gz WACPNOJQUIUBIQ-AQXGTKIOSA-N 2 1 301.478 3.024 20 0 DGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000926543269 627911600 /nfs/dbraw/zinc/91/16/00/627911600.db2.gz WACPNOJQUIUBIQ-AQXGTKIOSA-N 2 1 301.478 3.024 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C[NH+](C)C)c1 ZINC000926543269 627911604 /nfs/dbraw/zinc/91/16/04/627911604.db2.gz WACPNOJQUIUBIQ-AQXGTKIOSA-N 2 1 301.478 3.024 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2cncn2c1)c1cccc(C[NH+](C)C)c1 ZINC000926568157 627915686 /nfs/dbraw/zinc/91/56/86/627915686.db2.gz WKMYJKANIXJXAZ-HNNXBMFYSA-N 2 1 308.429 3.247 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926571685 627916462 /nfs/dbraw/zinc/91/64/62/627916462.db2.gz AFQIYCDPSIHNSX-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccns1 ZINC000926635559 627925098 /nfs/dbraw/zinc/92/50/98/627925098.db2.gz OWCHXZCUSYMETR-BMFZPTHFSA-N 2 1 301.459 3.139 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccns1 ZINC000926635559 627925101 /nfs/dbraw/zinc/92/51/01/627925101.db2.gz OWCHXZCUSYMETR-BMFZPTHFSA-N 2 1 301.459 3.139 20 0 DGADMP COc1ccnc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1F ZINC000926703825 627936836 /nfs/dbraw/zinc/93/68/36/627936836.db2.gz PKIXRMLDLPLFPR-ZDUSSCGKSA-N 2 1 317.408 3.142 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738929 627943654 /nfs/dbraw/zinc/94/36/54/627943654.db2.gz NMTWPMJQQPMXHF-DLBZAZTESA-N 2 1 317.477 3.253 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738929 627943656 /nfs/dbraw/zinc/94/36/56/627943656.db2.gz NMTWPMJQQPMXHF-DLBZAZTESA-N 2 1 317.477 3.253 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000817891079 627953666 /nfs/dbraw/zinc/95/36/66/627953666.db2.gz FORIMCSSRMQRLV-IGNZVWTISA-N 2 1 321.424 3.001 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897864 627955413 /nfs/dbraw/zinc/95/54/13/627955413.db2.gz XHECWVQBMNHCSS-SCTDSRPQSA-N 2 1 301.478 3.084 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccccc1 ZINC000817898595 627956122 /nfs/dbraw/zinc/95/61/22/627956122.db2.gz JRIKLYBWUWBCIE-JTUUTPGSSA-N 2 1 310.445 3.114 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817902393 627956931 /nfs/dbraw/zinc/95/69/31/627956931.db2.gz PCHKTYTZSFJOJE-VQIMIIECSA-N 2 1 311.473 3.191 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805219 627958388 /nfs/dbraw/zinc/95/83/88/627958388.db2.gz ORJNEFUEURLIBC-PBHICJAKSA-N 2 1 303.450 3.235 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000926805219 627958389 /nfs/dbraw/zinc/95/83/89/627958389.db2.gz ORJNEFUEURLIBC-PBHICJAKSA-N 2 1 303.450 3.235 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21)C1C[NH2+]C1 ZINC000817927009 627963784 /nfs/dbraw/zinc/96/37/84/627963784.db2.gz XPUNFIALOZGSEW-PELKAZGASA-N 2 1 301.217 3.015 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817958770 627975043 /nfs/dbraw/zinc/97/50/43/627975043.db2.gz MIGMVEJCCZSYCC-GDBMZVCRSA-N 2 1 319.449 3.057 20 0 DGADMP COc1ccc2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926910594 627978216 /nfs/dbraw/zinc/97/82/16/627978216.db2.gz JMNKOCZZFNPOEG-RDJZCZTQSA-N 2 1 312.457 3.463 20 0 DGADMP COCc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC ZINC000817980917 627982748 /nfs/dbraw/zinc/98/27/48/627982748.db2.gz FTMMNYZGQIJRLT-CXAGYDPISA-N 2 1 306.450 3.010 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000818942961 628064400 /nfs/dbraw/zinc/06/44/00/628064400.db2.gz NGPQTJIVVBSLSC-HXUWFJFHSA-N 2 1 312.457 3.140 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000818959588 628067099 /nfs/dbraw/zinc/06/70/99/628067099.db2.gz OLBPDSUKWDCQRU-HKUYNNGSSA-N 2 1 304.478 3.130 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000818959349 628067469 /nfs/dbraw/zinc/06/74/69/628067469.db2.gz IKMMQJRQUQQYAX-QAPCUYQASA-N 2 1 324.896 3.475 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000818959254 628067524 /nfs/dbraw/zinc/06/75/24/628067524.db2.gz GTVHEDAXEOBGGP-UZLBHIALSA-N 2 1 318.505 3.439 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc2ccccc21 ZINC000818962958 628068680 /nfs/dbraw/zinc/06/86/80/628068680.db2.gz CENRIQTYFJLCBL-HLIPFELVSA-N 2 1 310.441 3.090 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000818970312 628069416 /nfs/dbraw/zinc/06/94/16/628069416.db2.gz MKMDSCROAJAJDN-IBGZPJMESA-N 2 1 316.420 3.101 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000818985113 628072952 /nfs/dbraw/zinc/07/29/52/628072952.db2.gz OIIUTPIDDHDCPS-MJGOQNOKSA-N 2 1 304.478 3.047 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1c(F)cccc1F)C(C)C ZINC000819126360 628096068 /nfs/dbraw/zinc/09/60/68/628096068.db2.gz OLRWONFHIBTNRR-INIZCTEOSA-N 2 1 314.420 3.097 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000819182060 628107567 /nfs/dbraw/zinc/10/75/67/628107567.db2.gz HJRAHEAIENYGPT-YJBOKZPZSA-N 2 1 324.896 3.331 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000819183316 628108328 /nfs/dbraw/zinc/10/83/28/628108328.db2.gz VBONHDVOCLWIRY-AZUAARDMSA-N 2 1 318.505 3.294 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820810595 628299630 /nfs/dbraw/zinc/29/96/30/628299630.db2.gz AEIDWTJPQAZMNP-MRXNPFEDSA-N 3 1 314.477 3.384 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n[nH]1 ZINC000820820765 628300592 /nfs/dbraw/zinc/30/05/92/628300592.db2.gz BIEWPTAHQYDXJC-ZFWWWQNUSA-N 2 1 300.450 3.062 20 0 DGADMP CN(CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000827930224 629004841 /nfs/dbraw/zinc/00/48/41/629004841.db2.gz IGTVMNZAUFEGCF-HXUWFJFHSA-N 2 1 315.505 3.463 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000828070350 629020282 /nfs/dbraw/zinc/02/02/82/629020282.db2.gz FGAQLYVCQQSCRV-MJGOQNOKSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000828070350 629020285 /nfs/dbraw/zinc/02/02/85/629020285.db2.gz FGAQLYVCQQSCRV-MJGOQNOKSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000828070350 629020287 /nfs/dbraw/zinc/02/02/87/629020287.db2.gz FGAQLYVCQQSCRV-MJGOQNOKSA-N 2 1 303.494 3.175 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]1 ZINC000841009753 630395529 /nfs/dbraw/zinc/39/55/29/630395529.db2.gz SSMQLFSCFIUJNF-OHDICMOHSA-N 2 1 320.452 3.102 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000842472109 630539103 /nfs/dbraw/zinc/53/91/03/630539103.db2.gz QUGHKJGVZWWCDA-RTBURBONSA-N 2 1 304.478 3.484 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccncc2)s1 ZINC000843052677 630608846 /nfs/dbraw/zinc/60/88/46/630608846.db2.gz CUFOFTYYYWLEJI-GOOCMWNKSA-N 2 1 314.458 3.049 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccncc2)s1 ZINC000843052677 630608849 /nfs/dbraw/zinc/60/88/49/630608849.db2.gz CUFOFTYYYWLEJI-GOOCMWNKSA-N 2 1 314.458 3.049 20 0 DGADMP Clc1ccc(OC[C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000843113888 630615151 /nfs/dbraw/zinc/61/51/51/630615151.db2.gz ATKYDPXXGYDHPN-ZBFHGGJFSA-N 2 1 308.853 3.183 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000843128368 630617316 /nfs/dbraw/zinc/61/73/16/630617316.db2.gz JGBJCTLWDGZWCV-RYUDHWBXSA-N 2 1 306.841 3.050 20 0 DGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000843129886 630617518 /nfs/dbraw/zinc/61/75/18/630617518.db2.gz SRUXGHXHTFBVOU-CHWSQXEVSA-N 2 1 320.868 3.109 20 0 DGADMP CC(C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843172268 630625354 /nfs/dbraw/zinc/62/53/54/630625354.db2.gz CDOSEQPTJZNLNG-INIZCTEOSA-N 2 1 314.433 3.378 20 0 DGADMP C[N@@H+](CCOc1ccc(F)cc1Cl)C1CCC([NH3+])CC1 ZINC000843354950 630648608 /nfs/dbraw/zinc/64/86/08/630648608.db2.gz GKPRATWTRHSSGJ-UHFFFAOYSA-N 2 1 300.805 3.060 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354541 630648730 /nfs/dbraw/zinc/64/87/30/630648730.db2.gz BDMMWGZYYHXTHS-UHFFFAOYSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843353568 630648798 /nfs/dbraw/zinc/64/87/98/630648798.db2.gz BWPWTLWUBKKZMX-UHFFFAOYSA-N 2 1 317.477 3.124 20 0 DGADMP O[C@@H](C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1)c1ccc(F)cc1 ZINC000843358966 630649427 /nfs/dbraw/zinc/64/94/27/630649427.db2.gz OFWYBICDWFLMTA-IBGZPJMESA-N 2 1 320.452 3.103 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(=O)oc2c1C ZINC000843354857 630649599 /nfs/dbraw/zinc/64/95/99/630649599.db2.gz QTHCRIXJWFIGJR-QGZVFWFLSA-N 2 1 316.445 3.215 20 0 DGADMP Cc1ccc2c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(=O)oc2c1C ZINC000843354857 630649601 /nfs/dbraw/zinc/64/96/01/630649601.db2.gz QTHCRIXJWFIGJR-QGZVFWFLSA-N 2 1 316.445 3.215 20 0 DGADMP CCc1ccc2c(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc(=O)oc2c1 ZINC000843382861 630651029 /nfs/dbraw/zinc/65/10/29/630651029.db2.gz BKKXBKHGMLWGNX-MRXNPFEDSA-N 2 1 314.429 3.059 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cc1OC ZINC000846217561 631215528 /nfs/dbraw/zinc/21/55/28/631215528.db2.gz KNRHDIHBMJCGRE-MRXNPFEDSA-N 2 1 306.450 3.360 20 0 DGADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000848514195 631673487 /nfs/dbraw/zinc/67/34/87/631673487.db2.gz LDWKSAITSNCLAR-DRZUXFPHSA-N 2 1 318.505 3.046 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(Cl)n1C ZINC000848529008 631679817 /nfs/dbraw/zinc/67/98/17/631679817.db2.gz RGDNEHJLUOYUKJ-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)c1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000848536671 631682726 /nfs/dbraw/zinc/68/27/26/631682726.db2.gz VCPZGMWJPCJXIB-GOSISDBHSA-N 2 1 304.478 3.137 20 0 DGADMP Cc1cccc(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848536656 631683021 /nfs/dbraw/zinc/68/30/21/631683021.db2.gz UYMGWTXBVCHCQO-SFHVURJKSA-N 2 1 302.462 3.036 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000848989436 631798973 /nfs/dbraw/zinc/79/89/73/631798973.db2.gz QJDCTRUMYKTYOR-QGZVFWFLSA-N 2 1 316.493 3.264 20 0 DGADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000848996437 631801693 /nfs/dbraw/zinc/80/16/93/631801693.db2.gz UVQZRVXQFMZRDV-HNNXBMFYSA-N 2 1 318.465 3.140 20 0 DGADMP CCC[N@H+](C)[C@H](CNC(=[NH2+])NC(C)C)c1ccc(Cl)cc1 ZINC000849051662 631818588 /nfs/dbraw/zinc/81/85/88/631818588.db2.gz FNBLHNDFRWAONC-OAHLLOKOSA-N 2 1 310.873 3.245 20 0 DGADMP CCC[N@@H+](C)[C@H](CNC(=[NH2+])NC(C)C)c1ccc(Cl)cc1 ZINC000849051662 631818592 /nfs/dbraw/zinc/81/85/92/631818592.db2.gz FNBLHNDFRWAONC-OAHLLOKOSA-N 2 1 310.873 3.245 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000849059577 631823392 /nfs/dbraw/zinc/82/33/92/631823392.db2.gz UWYVWTNNSMYHTD-LSDHHAIUSA-N 2 1 302.466 3.306 20 0 DGADMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCCC[C@H]1C ZINC000849061676 631823986 /nfs/dbraw/zinc/82/39/86/631823986.db2.gz XPQZGAWWZPQZED-HUUCEWRRSA-N 2 1 314.477 3.374 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000849095880 631833550 /nfs/dbraw/zinc/83/35/50/631833550.db2.gz QWRUTBBTJNDBHF-UHFFFAOYSA-N 2 1 300.450 3.010 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000849095880 631833557 /nfs/dbraw/zinc/83/35/57/631833557.db2.gz QWRUTBBTJNDBHF-UHFFFAOYSA-N 2 1 300.450 3.010 20 0 DGADMP CCc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+](CC)CC)cc1 ZINC000849103651 631836712 /nfs/dbraw/zinc/83/67/12/631836712.db2.gz VSWUFNSUVFJTNT-GOSISDBHSA-N 2 1 316.493 3.250 20 0 DGADMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000849105906 631836862 /nfs/dbraw/zinc/83/68/62/631836862.db2.gz IIYRVDAKUWLRGN-DOTOQJQBSA-N 2 1 306.498 3.040 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000850423930 632148452 /nfs/dbraw/zinc/14/84/52/632148452.db2.gz ZRKUZVHLXHDDFZ-GJZGRUSLSA-N 2 1 300.446 3.147 20 0 DGADMP C[C@@H]([NH2+]CC1SCCS1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850560555 632193973 /nfs/dbraw/zinc/19/39/73/632193973.db2.gz LQEXKINPUAAMGY-ZBFHGGJFSA-N 2 1 322.543 3.293 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1)CC1CC1 ZINC000851889396 632514647 /nfs/dbraw/zinc/51/46/47/632514647.db2.gz HSFDZKDZPLEBDR-RTBURBONSA-N 2 1 308.510 3.388 20 0 DGADMP COCC[N@H+](CCF)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000852480455 632609556 /nfs/dbraw/zinc/60/95/56/632609556.db2.gz XCCWTEMUENRKKY-UHFFFAOYSA-N 2 1 308.441 3.090 20 0 DGADMP COCC[N@@H+](CCF)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000852480455 632609557 /nfs/dbraw/zinc/60/95/57/632609557.db2.gz XCCWTEMUENRKKY-UHFFFAOYSA-N 2 1 308.441 3.090 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000355828643 660331260 /nfs/dbraw/zinc/33/12/60/660331260.db2.gz ZKMUMYIZOFDVKG-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000355828643 660331262 /nfs/dbraw/zinc/33/12/62/660331262.db2.gz ZKMUMYIZOFDVKG-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000355828643 660331264 /nfs/dbraw/zinc/33/12/64/660331264.db2.gz ZKMUMYIZOFDVKG-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1CSCCC[N@H+]1CCC[NH+]1CCCSC[C@@H]1C ZINC000934304292 661695043 /nfs/dbraw/zinc/69/50/43/661695043.db2.gz PSNPXSRFVBJODF-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]1CSCCC[N@@H+]1CCC[NH+]1CCCSC[C@@H]1C ZINC000934304292 661695045 /nfs/dbraw/zinc/69/50/45/661695045.db2.gz PSNPXSRFVBJODF-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421848486 660486421 /nfs/dbraw/zinc/48/64/21/660486421.db2.gz ALRXHBADPZUJAX-MOPGFXCFSA-N 2 1 315.505 3.429 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@H]1C(F)(F)F ZINC000700773409 660636097 /nfs/dbraw/zinc/63/60/97/660636097.db2.gz KIWMSUWIGFLKBU-OPRDCNLKSA-N 2 1 319.198 3.029 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@H]1C(F)(F)F ZINC000700773409 660636098 /nfs/dbraw/zinc/63/60/98/660636098.db2.gz KIWMSUWIGFLKBU-OPRDCNLKSA-N 2 1 319.198 3.029 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC)C1 ZINC001034479692 660757836 /nfs/dbraw/zinc/75/78/36/660757836.db2.gz AQMGRJGLYBSSIU-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC)C1 ZINC001034479692 660757838 /nfs/dbraw/zinc/75/78/38/660757838.db2.gz AQMGRJGLYBSSIU-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC)C1 ZINC001034479692 660757839 /nfs/dbraw/zinc/75/78/39/660757839.db2.gz AQMGRJGLYBSSIU-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](C(C)C)C1 ZINC001034482010 660757898 /nfs/dbraw/zinc/75/78/98/660757898.db2.gz YCSUQCOSFKMELB-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034482010 660757900 /nfs/dbraw/zinc/75/79/00/660757900.db2.gz YCSUQCOSFKMELB-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034482010 660757902 /nfs/dbraw/zinc/75/79/02/660757902.db2.gz YCSUQCOSFKMELB-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000708514650 660924314 /nfs/dbraw/zinc/92/43/14/660924314.db2.gz UBJVMMDHWFAHMJ-YOEHRIQHSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000708514650 660924315 /nfs/dbraw/zinc/92/43/15/660924315.db2.gz UBJVMMDHWFAHMJ-YOEHRIQHSA-N 2 1 315.486 3.309 20 0 DGADMP CCCCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711726647 660962218 /nfs/dbraw/zinc/96/22/18/660962218.db2.gz RXDLZOBEJGOTBA-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP CCCCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711726647 660962219 /nfs/dbraw/zinc/96/22/19/660962219.db2.gz RXDLZOBEJGOTBA-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP CCCCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711726647 660962220 /nfs/dbraw/zinc/96/22/20/660962220.db2.gz RXDLZOBEJGOTBA-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP CCCCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711726647 660962221 /nfs/dbraw/zinc/96/22/21/660962221.db2.gz RXDLZOBEJGOTBA-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2c(c1)CCO2 ZINC000794836417 661108862 /nfs/dbraw/zinc/10/88/62/661108862.db2.gz OCAUENYRNRWRNK-NNGSBXSVSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174045 655604374 /nfs/dbraw/zinc/60/43/74/655604374.db2.gz SAOZJTRHBSKUOY-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174045 655604375 /nfs/dbraw/zinc/60/43/75/655604375.db2.gz SAOZJTRHBSKUOY-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000723687241 655716263 /nfs/dbraw/zinc/71/62/63/655716263.db2.gz SDMXOUVKBBIWLE-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735390 655731414 /nfs/dbraw/zinc/73/14/14/655731414.db2.gz XHUNKCSBWHBLDZ-FYQPLNBISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735390 655731415 /nfs/dbraw/zinc/73/14/15/655731415.db2.gz XHUNKCSBWHBLDZ-FYQPLNBISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@]2(C)C1 ZINC000933735390 655731416 /nfs/dbraw/zinc/73/14/16/655731416.db2.gz XHUNKCSBWHBLDZ-FYQPLNBISA-N 2 1 314.473 3.180 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309702508 655876691 /nfs/dbraw/zinc/87/66/91/655876691.db2.gz GSQFEWJAKWIRMY-VQIMIIECSA-N 2 1 304.478 3.302 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309702506 655876706 /nfs/dbraw/zinc/87/67/06/655876706.db2.gz GSQFEWJAKWIRMY-LPHOPBHVSA-N 2 1 304.478 3.302 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000177688685 655940287 /nfs/dbraw/zinc/94/02/87/655940287.db2.gz REYKDSKEIQMNDH-UHFFFAOYSA-N 2 1 323.525 3.035 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC001025137244 655969848 /nfs/dbraw/zinc/96/98/48/655969848.db2.gz XNSUUXMHITVEOT-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@]1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724464 656045295 /nfs/dbraw/zinc/04/52/95/656045295.db2.gz NBRIFSXSZUWYFC-VAMGGRTRSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000309724464 656045297 /nfs/dbraw/zinc/04/52/97/656045297.db2.gz NBRIFSXSZUWYFC-VAMGGRTRSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724464 656045300 /nfs/dbraw/zinc/04/53/00/656045300.db2.gz NBRIFSXSZUWYFC-VAMGGRTRSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@]1(CN[C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724461 656116939 /nfs/dbraw/zinc/11/69/39/656116939.db2.gz NBRIFSXSZUWYFC-SLFFLAALSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000309724461 656116941 /nfs/dbraw/zinc/11/69/41/656116941.db2.gz NBRIFSXSZUWYFC-SLFFLAALSA-N 3 1 315.505 3.006 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000309724461 656116944 /nfs/dbraw/zinc/11/69/44/656116944.db2.gz NBRIFSXSZUWYFC-SLFFLAALSA-N 3 1 315.505 3.006 20 0 DGADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000318820786 656129027 /nfs/dbraw/zinc/12/90/27/656129027.db2.gz YCMCPINQQFQXFN-HNNXBMFYSA-N 2 1 312.379 3.495 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000310019831 656129621 /nfs/dbraw/zinc/12/96/21/656129621.db2.gz QRKFDDDMGHWKFN-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@]1(C[NH2+]C[C@H](O)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310091118 656130425 /nfs/dbraw/zinc/13/04/25/656130425.db2.gz RDVRSMGOGYVFMD-SFTDATJTSA-N 2 1 324.468 3.222 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763699 656763599 /nfs/dbraw/zinc/76/35/99/656763599.db2.gz JAOQRPADNADCHV-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763699 656763601 /nfs/dbraw/zinc/76/36/01/656763601.db2.gz JAOQRPADNADCHV-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052763699 656763608 /nfs/dbraw/zinc/76/36/08/656763608.db2.gz JAOQRPADNADCHV-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1)C(C)C ZINC000261734947 657060551 /nfs/dbraw/zinc/06/05/51/657060551.db2.gz KMQHJRUHCURMDS-AWEZNQCLSA-N 2 1 316.449 3.117 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000261883939 657159093 /nfs/dbraw/zinc/15/90/93/657159093.db2.gz MWCWOGYNNOBVFC-JCURWCKSSA-N 2 1 310.397 3.253 20 0 DGADMP Brc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000261998192 657276871 /nfs/dbraw/zinc/27/68/71/657276871.db2.gz LAVOVTNCSPXVFK-UHFFFAOYSA-N 2 1 315.280 3.086 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])Nc2ccccc2)C1 ZINC000066244609 657393541 /nfs/dbraw/zinc/39/35/41/657393541.db2.gz SYNSXQIOBOGPIL-GASCZTMLSA-N 2 1 302.466 3.170 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262142886 657402959 /nfs/dbraw/zinc/40/29/59/657402959.db2.gz ZHNXACLODXTXHZ-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262142886 657402964 /nfs/dbraw/zinc/40/29/64/657402964.db2.gz ZHNXACLODXTXHZ-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882634 657510189 /nfs/dbraw/zinc/51/01/89/657510189.db2.gz RBXMQXYFMMNHPZ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060076 657547234 /nfs/dbraw/zinc/54/72/34/657547234.db2.gz WYAUNSXGECGWFO-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969060076 657547241 /nfs/dbraw/zinc/54/72/41/657547241.db2.gz WYAUNSXGECGWFO-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562133 657639108 /nfs/dbraw/zinc/63/91/08/657639108.db2.gz ISPCTLAZANGBGN-YOEHRIQHSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562133 657639111 /nfs/dbraw/zinc/63/91/11/657639111.db2.gz ISPCTLAZANGBGN-YOEHRIQHSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562133 657639117 /nfs/dbraw/zinc/63/91/17/657639117.db2.gz ISPCTLAZANGBGN-YOEHRIQHSA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000304562133 657639124 /nfs/dbraw/zinc/63/91/24/657639124.db2.gz ISPCTLAZANGBGN-YOEHRIQHSA-N 2 1 310.869 3.037 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C[C@H]1C[NH3+] ZINC000253183476 657659745 /nfs/dbraw/zinc/65/97/45/657659745.db2.gz GNSGLQZIRXOXLY-SWLSCSKDSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C[C@H]1C[NH3+] ZINC000253183476 657659752 /nfs/dbraw/zinc/65/97/52/657659752.db2.gz GNSGLQZIRXOXLY-SWLSCSKDSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@](C)(O)c3ccco3)CC2)C1 ZINC000305147178 657687845 /nfs/dbraw/zinc/68/78/45/657687845.db2.gz NTHMTLUCEQHYMS-AYBZRNKSSA-N 2 1 320.477 3.120 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[NH+](C)C ZINC000421819785 658224763 /nfs/dbraw/zinc/22/47/63/658224763.db2.gz IZYXPBLQYMJBCA-IEBWSBKVSA-N 2 1 303.494 3.285 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000322591899 658541517 /nfs/dbraw/zinc/54/15/17/658541517.db2.gz KDJTUSSPHSDCON-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP COc1cccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)oc21 ZINC000322645438 658560323 /nfs/dbraw/zinc/56/03/23/658560323.db2.gz ZFMHIVQAQZJKEV-GOOCMWNKSA-N 2 1 300.402 3.156 20 0 DGADMP COc1cccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)oc21 ZINC000322645438 658560329 /nfs/dbraw/zinc/56/03/29/658560329.db2.gz ZFMHIVQAQZJKEV-GOOCMWNKSA-N 2 1 300.402 3.156 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174047 660040454 /nfs/dbraw/zinc/04/04/54/660040454.db2.gz SAOZJTRHBSKUOY-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000070174047 660040456 /nfs/dbraw/zinc/04/04/56/660040456.db2.gz SAOZJTRHBSKUOY-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1[nH]c(C)[nH+]c1C ZINC000929818169 661341526 /nfs/dbraw/zinc/34/15/26/661341526.db2.gz VFVMCNASQLYMIN-UHFFFAOYSA-N 2 1 320.403 3.123 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000930070276 661363501 /nfs/dbraw/zinc/36/35/01/661363501.db2.gz RTMWZTMECREXKS-SFHVURJKSA-N 2 1 317.477 3.340 20 0 DGADMP Cc1nc(CN(C)CCCn2ccnc2)sc1C(C)(C)C ZINC000930124980 661368628 /nfs/dbraw/zinc/36/86/28/661368628.db2.gz LWGQNUPHQCFJIF-UHFFFAOYSA-N 2 1 306.479 3.468 20 0 DGADMP CCCC[N@@H+](CCn1ccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034841 661447479 /nfs/dbraw/zinc/44/74/79/661447479.db2.gz ZFEHCBWLPRAQOK-UHFFFAOYSA-N 2 1 306.498 3.294 20 0 DGADMP CC[N@@H+](CCc1ccns1)Cc1ccc(C[NH+](C)C)cc1 ZINC000931272278 661463712 /nfs/dbraw/zinc/46/37/12/661463712.db2.gz TWKUJRRVBRMQGD-UHFFFAOYSA-N 2 1 303.475 3.269 20 0 DGADMP Cc1ccccc1[C@H](C)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288386 661464400 /nfs/dbraw/zinc/46/44/00/661464400.db2.gz HONDNXPUEQESNF-KRWDZBQOSA-N 2 1 302.462 3.243 20 0 DGADMP Cc1ccccc1[C@H](C)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288386 661464401 /nfs/dbraw/zinc/46/44/01/661464401.db2.gz HONDNXPUEQESNF-KRWDZBQOSA-N 2 1 302.462 3.243 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310896 661465875 /nfs/dbraw/zinc/46/58/75/661465875.db2.gz JQNUMUONFAESLE-GUDVDZBRSA-N 2 1 302.462 3.038 20 0 DGADMP C[C@H](CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)OCc1ccccc1 ZINC000931314891 661466678 /nfs/dbraw/zinc/46/66/78/661466678.db2.gz RNILWMWUGTZRSM-MISYRCLQSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931368273 661471282 /nfs/dbraw/zinc/47/12/82/661471282.db2.gz AXKDIRUYWVOGNI-MRXNPFEDSA-N 2 1 323.444 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931368273 661471283 /nfs/dbraw/zinc/47/12/83/661471283.db2.gz AXKDIRUYWVOGNI-MRXNPFEDSA-N 2 1 323.444 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931368273 661471285 /nfs/dbraw/zinc/47/12/85/661471285.db2.gz AXKDIRUYWVOGNI-MRXNPFEDSA-N 2 1 323.444 3.338 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442444 661476680 /nfs/dbraw/zinc/47/66/80/661476680.db2.gz HNKILVMTXBSYKH-FYQPLNBISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442444 661476682 /nfs/dbraw/zinc/47/66/82/661476682.db2.gz HNKILVMTXBSYKH-FYQPLNBISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442444 661476684 /nfs/dbraw/zinc/47/66/84/661476684.db2.gz HNKILVMTXBSYKH-FYQPLNBISA-N 2 1 314.473 3.180 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545918 661487030 /nfs/dbraw/zinc/48/70/30/661487030.db2.gz IUIMJPSSGHXHDY-YLFCFFPRSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545918 661487032 /nfs/dbraw/zinc/48/70/32/661487032.db2.gz IUIMJPSSGHXHDY-YLFCFFPRSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545918 661487034 /nfs/dbraw/zinc/48/70/34/661487034.db2.gz IUIMJPSSGHXHDY-YLFCFFPRSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545918 661487036 /nfs/dbraw/zinc/48/70/36/661487036.db2.gz IUIMJPSSGHXHDY-YLFCFFPRSA-N 2 1 306.400 3.061 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[NH2+]C(C)(C)C)c2C1 ZINC000931727514 661503196 /nfs/dbraw/zinc/50/31/96/661503196.db2.gz SSWCGEKYLTXMKL-UHFFFAOYSA-N 2 1 303.450 3.129 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[NH2+]C(C)(C)C)c2C1 ZINC000931727514 661503194 /nfs/dbraw/zinc/50/31/94/661503194.db2.gz SSWCGEKYLTXMKL-UHFFFAOYSA-N 2 1 303.450 3.129 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000931752783 661505180 /nfs/dbraw/zinc/50/51/80/661505180.db2.gz PVSCYEQYGSRTSK-UHFFFAOYSA-N 2 1 302.462 3.454 20 0 DGADMP FC1(F)C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1(F)F ZINC000931918449 661522052 /nfs/dbraw/zinc/52/20/52/661522052.db2.gz OCYMYZGFYLHNGJ-ZDUSSCGKSA-N 2 1 308.363 3.229 20 0 DGADMP FC1(F)C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1(F)F ZINC000931918449 661522055 /nfs/dbraw/zinc/52/20/55/661522055.db2.gz OCYMYZGFYLHNGJ-ZDUSSCGKSA-N 2 1 308.363 3.229 20 0 DGADMP Cc1csc(C[C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000933129409 661618694 /nfs/dbraw/zinc/61/86/94/661618694.db2.gz JGKFQRBNALGQML-JKSUJKDBSA-N 2 1 307.507 3.190 20 0 DGADMP COCCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933549138 661640524 /nfs/dbraw/zinc/64/05/24/661640524.db2.gz ZRVUFKNRMGTYNO-UHFFFAOYSA-N 2 1 302.462 3.110 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC4(CCCCCC4)O3)C[C@]2(C)C1 ZINC000933731837 661654693 /nfs/dbraw/zinc/65/46/93/661654693.db2.gz BXBDXICNCMFYJA-KURKYZTESA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCCC4)O3)C[C@]2(C)C1 ZINC000933731837 661654695 /nfs/dbraw/zinc/65/46/95/661654695.db2.gz BXBDXICNCMFYJA-KURKYZTESA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)C[C@]2(C)C1 ZINC000933731837 661654698 /nfs/dbraw/zinc/65/46/98/661654698.db2.gz BXBDXICNCMFYJA-KURKYZTESA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1Cl ZINC000935759716 661808325 /nfs/dbraw/zinc/80/83/25/661808325.db2.gz NKEJWTNUBHMHFY-UHFFFAOYSA-N 2 1 311.857 3.118 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000158006896 661869811 /nfs/dbraw/zinc/86/98/11/661869811.db2.gz AADFDMPUPNBYIS-HNNXBMFYSA-N 2 1 316.555 3.386 20 0 DGADMP CC[NH+]1CCC(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191207584 662056627 /nfs/dbraw/zinc/05/66/27/662056627.db2.gz KGPISXGIOSXQML-UHFFFAOYSA-N 2 1 314.832 3.396 20 0 DGADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000078974117 662093056 /nfs/dbraw/zinc/09/30/56/662093056.db2.gz HRRIENRDMWBKFM-RBUKOAKNSA-N 2 1 301.478 3.249 20 0 DGADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000078974117 662093058 /nfs/dbraw/zinc/09/30/58/662093058.db2.gz HRRIENRDMWBKFM-RBUKOAKNSA-N 2 1 301.478 3.249 20 0 DGADMP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000245834473 662242363 /nfs/dbraw/zinc/24/23/63/662242363.db2.gz BMVKBHCCTZFHPW-AZUAARDMSA-N 2 1 316.489 3.308 20 0 DGADMP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000245834473 662242365 /nfs/dbraw/zinc/24/23/65/662242365.db2.gz BMVKBHCCTZFHPW-AZUAARDMSA-N 2 1 316.489 3.308 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247513231 662324488 /nfs/dbraw/zinc/32/44/88/662324488.db2.gz MSCWHTSZSVESTH-RHSMWYFYSA-N 2 1 310.869 3.037 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247513231 662324490 /nfs/dbraw/zinc/32/44/90/662324490.db2.gz MSCWHTSZSVESTH-RHSMWYFYSA-N 2 1 310.869 3.037 20 0 DGADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)c1ccc(F)cc1 ZINC000248133038 662334941 /nfs/dbraw/zinc/33/49/41/662334941.db2.gz WVSQEHPBADNJBZ-RTBURBONSA-N 2 1 322.468 3.301 20 0 DGADMP CC(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1 ZINC000248133038 662334942 /nfs/dbraw/zinc/33/49/42/662334942.db2.gz WVSQEHPBADNJBZ-RTBURBONSA-N 2 1 322.468 3.301 20 0 DGADMP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](O)c1ccc(F)cc1 ZINC000248133038 662334943 /nfs/dbraw/zinc/33/49/43/662334943.db2.gz WVSQEHPBADNJBZ-RTBURBONSA-N 2 1 322.468 3.301 20 0 DGADMP c1ccc2sc(C[N@H+](CC3CC[NH2+]CC3)C3CC3)nc2c1 ZINC000094026429 662362269 /nfs/dbraw/zinc/36/22/69/662362269.db2.gz MLRQXKPGDHYEFJ-UHFFFAOYSA-N 2 1 301.459 3.260 20 0 DGADMP C[C@@]1(C[NH2+]C[C@@H]2CCC=CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000390697907 685204356 /nfs/dbraw/zinc/20/43/56/685204356.db2.gz AYHKMHFMXIJNBY-OALUTQOASA-N 2 1 300.446 3.181 20 0 DGADMP C[N@@H+](C[C@H](O)c1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394239154 685221506 /nfs/dbraw/zinc/22/15/06/685221506.db2.gz RQXXPNYENYAIBL-APZTZJSISA-N 2 1 324.468 3.430 20 0 DGADMP C[NH+](C[C@H](O)c1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394239154 685221513 /nfs/dbraw/zinc/22/15/13/685221513.db2.gz RQXXPNYENYAIBL-APZTZJSISA-N 2 1 324.468 3.430 20 0 DGADMP C[NH+](C[C@H](O)c1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394239154 685221516 /nfs/dbraw/zinc/22/15/16/685221516.db2.gz RQXXPNYENYAIBL-APZTZJSISA-N 2 1 324.468 3.430 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001620778374 1191849680 /nfs/dbraw/zinc/84/96/80/1191849680.db2.gz QFNSVMHQUPLXSI-GVDBMIGSSA-N 2 1 312.498 3.208 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)C[C@H](C)O1 ZINC001576598842 1191851416 /nfs/dbraw/zinc/85/14/16/1191851416.db2.gz OOPDGEXYGVFNLJ-SQIBXOBRSA-N 2 1 316.489 3.315 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597306 1191851814 /nfs/dbraw/zinc/85/18/14/1191851814.db2.gz FIGKWJHJAZAVSE-ZACQAIPSSA-N 2 1 318.509 3.206 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)C1 ZINC001576710328 1191864759 /nfs/dbraw/zinc/86/47/59/1191864759.db2.gz ZWMSDWMHGXCZSF-QGZVFWFLSA-N 3 1 315.505 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001576671307 1191862206 /nfs/dbraw/zinc/86/22/06/1191862206.db2.gz XMRZIUPVQLDQRU-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC001576671307 1191862208 /nfs/dbraw/zinc/86/22/08/1191862208.db2.gz XMRZIUPVQLDQRU-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001576730982 1191866035 /nfs/dbraw/zinc/86/60/35/1191866035.db2.gz BLRQKNMYVUQXNV-WFASDCNBSA-N 2 1 300.368 3.208 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001576752696 1191867795 /nfs/dbraw/zinc/86/77/95/1191867795.db2.gz JXQMIEUDWMMQIZ-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001576752696 1191867805 /nfs/dbraw/zinc/86/78/05/1191867805.db2.gz JXQMIEUDWMMQIZ-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC001576849860 1191871120 /nfs/dbraw/zinc/87/11/20/1191871120.db2.gz LYJKWOOOGGIACP-UBHSHLNASA-N 2 1 317.864 3.266 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC2(CC[NH2+]CC2)O1 ZINC001576799919 1191869837 /nfs/dbraw/zinc/86/98/37/1191869837.db2.gz DGOVNUVGIUFANW-CXAGYDPISA-N 2 1 320.864 3.170 20 0 DGADMP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001576981618 1191878144 /nfs/dbraw/zinc/87/81/44/1191878144.db2.gz KEYOYJJUXWKONT-XHDPSFHLSA-N 2 1 311.857 3.104 20 0 DGADMP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001576981611 1191878387 /nfs/dbraw/zinc/87/83/87/1191878387.db2.gz KEYOYJJUXWKONT-IAQYHMDHSA-N 2 1 311.857 3.104 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC001577583248 1191907984 /nfs/dbraw/zinc/90/79/84/1191907984.db2.gz MQVFZHCNVJYYIH-HKUYNNGSSA-N 2 1 302.462 3.345 20 0 DGADMP CCCc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC001577608457 1191908893 /nfs/dbraw/zinc/90/88/93/1191908893.db2.gz DSCNDVHLRYUELI-GXFFZTMASA-N 2 1 306.397 3.270 20 0 DGADMP CCCc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC001577608457 1191908895 /nfs/dbraw/zinc/90/88/95/1191908895.db2.gz DSCNDVHLRYUELI-GXFFZTMASA-N 2 1 306.397 3.270 20 0 DGADMP CCSc1ccccc1C[N@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001578221846 1191932814 /nfs/dbraw/zinc/93/28/14/1191932814.db2.gz SVASTPCPQGJPKQ-HNNXBMFYSA-N 2 1 320.502 3.142 20 0 DGADMP CCSc1cccc(C[N@H+]2C[C@H](C)OC3(CC[NH2+]CC3)C2)c1 ZINC001578220504 1191933124 /nfs/dbraw/zinc/93/31/24/1191933124.db2.gz KMDCZNYFHBHSDY-HNNXBMFYSA-N 2 1 320.502 3.142 20 0 DGADMP C[N@@H+](CCOc1ccccc1C(C)(C)C)CC[C@@H]1CC[NH2+]C1 ZINC001578476931 1191945646 /nfs/dbraw/zinc/94/56/46/1191945646.db2.gz LGBXGJPKOBJPHP-INIZCTEOSA-N 2 1 304.478 3.294 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001579005491 1191963755 /nfs/dbraw/zinc/96/37/55/1191963755.db2.gz QLPPZNJGKGPWCR-GUDVDZBRSA-N 2 1 302.462 3.086 20 0 DGADMP COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579032178 1191964762 /nfs/dbraw/zinc/96/47/62/1191964762.db2.gz ULIGCHQSLRKPDD-SWLSCSKDSA-N 2 1 314.832 3.055 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)ccn1 ZINC001579149244 1191967309 /nfs/dbraw/zinc/96/73/09/1191967309.db2.gz RIABBXWHDMCSJY-QAPCUYQASA-N 2 1 317.477 3.210 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001579223409 1191969249 /nfs/dbraw/zinc/96/92/49/1191969249.db2.gz HLEBVMMQVLSDPP-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)cc1Cl ZINC001579216071 1191969446 /nfs/dbraw/zinc/96/94/46/1191969446.db2.gz BCSUMFHNFCODIF-APHBMKBZSA-N 2 1 308.853 3.215 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC001579238731 1191969783 /nfs/dbraw/zinc/96/97/83/1191969783.db2.gz WFXKYBZGGOLORZ-JQFCIGGWSA-N 2 1 324.415 3.166 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3nsnc32)[C@@H]1CCC[NH3+] ZINC001579423225 1191976247 /nfs/dbraw/zinc/97/62/47/1191976247.db2.gz SUKWABVVTJDLTK-IUODEOHRSA-N 2 1 304.463 3.031 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CCC(C(F)(F)F)CC1)C2 ZINC001579475404 1191977531 /nfs/dbraw/zinc/97/75/31/1191977531.db2.gz NTZCQDNQPMBISX-ZMYVRHLSSA-N 2 1 304.400 3.287 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC001579485781 1191977756 /nfs/dbraw/zinc/97/77/56/1191977756.db2.gz PDHQSOXXMUVLMH-OXJNMPFZSA-N 2 1 310.441 3.119 20 0 DGADMP Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001579535770 1191979236 /nfs/dbraw/zinc/97/92/36/1191979236.db2.gz VNWKAPJWBRORLK-MRXNPFEDSA-N 2 1 321.896 3.160 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC001579549713 1191979759 /nfs/dbraw/zinc/97/97/59/1191979759.db2.gz AIIKDPXNPHDGNE-NWDGAFQWSA-N 2 1 315.280 3.179 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001579873000 1191997204 /nfs/dbraw/zinc/99/72/04/1191997204.db2.gz CXDQUJSFPSOLMB-AWEZNQCLSA-N 2 1 318.490 3.189 20 0 DGADMP Cc1scc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC001579937588 1192000081 /nfs/dbraw/zinc/00/00/81/1192000081.db2.gz ZCDLELKDKMRDEU-BHYGNILZSA-N 2 1 308.491 3.083 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001579888253 1191998319 /nfs/dbraw/zinc/99/83/19/1191998319.db2.gz UYLZVCVMNNLLAN-SWLSCSKDSA-N 2 1 318.852 3.064 20 0 DGADMP Clc1ccc(NC[C@@H]2CCC[N@@H+](C[C@@]34C[C@@H]3C[NH2+]C4)C2)cc1 ZINC001579939138 1191999857 /nfs/dbraw/zinc/99/98/57/1191999857.db2.gz TXZZQPRKWIOQHL-DAYGRLMNSA-N 2 1 319.880 3.073 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC001580175851 1192011782 /nfs/dbraw/zinc/01/17/82/1192011782.db2.gz HCZHMRNUBIPMAH-QWHCGFSZSA-N 2 1 303.431 3.185 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C[C@H]21 ZINC001580177899 1192012087 /nfs/dbraw/zinc/01/20/87/1192012087.db2.gz YYGCKBMGXHUZIZ-BZUAXINKSA-N 2 1 312.379 3.351 20 0 DGADMP [NH3+]Cc1cccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC001580342848 1192022761 /nfs/dbraw/zinc/02/27/61/1192022761.db2.gz LBLPRKOICSFFEP-UHFFFAOYSA-N 2 1 318.424 3.311 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC001580337270 1192022309 /nfs/dbraw/zinc/02/23/09/1192022309.db2.gz USOFZXMYPRXMBW-IBGZPJMESA-N 2 1 323.440 3.071 20 0 DGADMP c1c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC001580888762 1192044103 /nfs/dbraw/zinc/04/41/03/1192044103.db2.gz YGKGLJBSMDNKTC-HUUCEWRRSA-N 2 1 320.502 3.032 20 0 DGADMP c1cc(N[C@@H]2CCOC3(CC[NH2+]CC3)C2)[nH+]cc1C1CCC1 ZINC001580891243 1192044573 /nfs/dbraw/zinc/04/45/73/1192044573.db2.gz WGSADSSAWHCGRB-MRXNPFEDSA-N 2 1 301.434 3.062 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001620886447 1192536137 /nfs/dbraw/zinc/53/61/37/1192536137.db2.gz KEAMSXQTYAYHGW-HNNXBMFYSA-N 2 1 313.445 3.125 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001691113641 1176323564 /nfs/dbraw/zinc/32/35/64/1176323564.db2.gz ULBFZPFKAGUQKN-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001691113641 1176323572 /nfs/dbraw/zinc/32/35/72/1176323572.db2.gz ULBFZPFKAGUQKN-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001691113641 1176323573 /nfs/dbraw/zinc/32/35/73/1176323573.db2.gz ULBFZPFKAGUQKN-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CC(=O)C1(c2ccccc2)CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207282569 1176510848 /nfs/dbraw/zinc/51/08/48/1176510848.db2.gz LBGGLLRNJGBDKO-UHFFFAOYSA-N 2 1 316.489 3.197 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252920185 1176602299 /nfs/dbraw/zinc/60/22/99/1176602299.db2.gz FKQREWFNSSAFDW-ZIAGYGMSSA-N 2 1 302.340 3.287 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252920185 1176602303 /nfs/dbraw/zinc/60/23/03/1176602303.db2.gz FKQREWFNSSAFDW-ZIAGYGMSSA-N 2 1 302.340 3.287 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)CC2 ZINC000378906250 1176749882 /nfs/dbraw/zinc/74/98/82/1176749882.db2.gz FKOYPCAVNSPADH-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000395122292 1176785427 /nfs/dbraw/zinc/78/54/27/1176785427.db2.gz LMENJHMURJAYEV-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000395122292 1176785441 /nfs/dbraw/zinc/78/54/41/1176785441.db2.gz LMENJHMURJAYEV-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000395120408 1176785956 /nfs/dbraw/zinc/78/59/56/1176785956.db2.gz KDUCBMMPDHDQNF-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000395120408 1176785965 /nfs/dbraw/zinc/78/59/65/1176785965.db2.gz KDUCBMMPDHDQNF-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000385915705 1177242165 /nfs/dbraw/zinc/24/21/65/1177242165.db2.gz AQKBZKVHBHRZHF-FRRDWIJNSA-N 2 1 313.239 3.052 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001691636587 1177400955 /nfs/dbraw/zinc/40/09/55/1177400955.db2.gz ISWPICXRUQELIF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000229060145 1177597084 /nfs/dbraw/zinc/59/70/84/1177597084.db2.gz JLLAQHKPPARNBE-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000229060145 1177597088 /nfs/dbraw/zinc/59/70/88/1177597088.db2.gz JLLAQHKPPARNBE-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc([S@](C)=O)cc1 ZINC001333735015 1178662956 /nfs/dbraw/zinc/66/29/56/1178662956.db2.gz VPWJOQGGJNUITD-QFIPXVFZSA-N 2 1 322.518 3.122 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4c(s3)CCCC4)C[C@@H]2C1 ZINC001333839718 1178683220 /nfs/dbraw/zinc/68/32/20/1178683220.db2.gz BNYCJVZOIOPCQM-QLFBSQMISA-N 2 1 319.518 3.184 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@H]2C1 ZINC001333840801 1178683323 /nfs/dbraw/zinc/68/33/23/1178683323.db2.gz IGUPFQATTGOERC-NUEKZKHPSA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)C[C@@H]2C1 ZINC001333891053 1178691941 /nfs/dbraw/zinc/69/19/41/1178691941.db2.gz ISACESLKYGTLRJ-MELADBBJSA-N 2 1 322.884 3.103 20 0 DGADMP Cc1nnsc1[C@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC001334045324 1178712190 /nfs/dbraw/zinc/71/21/90/1178712190.db2.gz XQPLPHQGGGFWFJ-AWEZNQCLSA-N 2 1 319.478 3.296 20 0 DGADMP Cn1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1C1CC1 ZINC001334185182 1178732947 /nfs/dbraw/zinc/73/29/47/1178732947.db2.gz AEZSQPIVHHNFJI-UHFFFAOYSA-N 2 1 316.493 3.184 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001334355179 1178753877 /nfs/dbraw/zinc/75/38/77/1178753877.db2.gz AEFKJDZWCXWUFE-RYQLBKOJSA-N 2 1 302.462 3.166 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@H]2C1 ZINC001335133063 1178857989 /nfs/dbraw/zinc/85/79/89/1178857989.db2.gz CZIHTLOHECPQQG-ZHALLVOQSA-N 2 1 309.457 3.397 20 0 DGADMP c1ccc2[nH]c([C@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC001335271061 1178881590 /nfs/dbraw/zinc/88/15/90/1178881590.db2.gz QPGLXFUMEXCUHK-HOTGVXAUSA-N 2 1 312.461 3.132 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)C[C@@H]2C1 ZINC001335581914 1178932298 /nfs/dbraw/zinc/93/22/98/1178932298.db2.gz HOVIAIRAPJQILF-ZJPYXAASSA-N 2 1 314.473 3.215 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC001335974755 1178976934 /nfs/dbraw/zinc/97/69/34/1178976934.db2.gz UVOLJVODBPXQPS-GOSISDBHSA-N 2 1 317.477 3.260 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001342118242 1179105995 /nfs/dbraw/zinc/10/59/95/1179105995.db2.gz JCZXJZHIOPPTFR-OAHLLOKOSA-N 2 1 308.416 3.315 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001342118242 1179106010 /nfs/dbraw/zinc/10/60/10/1179106010.db2.gz JCZXJZHIOPPTFR-OAHLLOKOSA-N 2 1 308.416 3.315 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001342160633 1179111830 /nfs/dbraw/zinc/11/18/30/1179111830.db2.gz MCQOFJVPBONHPN-JQHSSLGASA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001343332687 1179258108 /nfs/dbraw/zinc/25/81/08/1179258108.db2.gz HQCUIEMLBDPHHY-HRCADAONSA-N 2 1 308.416 3.169 20 0 DGADMP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001343333447 1179258522 /nfs/dbraw/zinc/25/85/22/1179258522.db2.gz OJGSMXDYSUSZTJ-RRFJBIMHSA-N 2 1 307.507 3.429 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)n[nH]2)CC1)CC(C)C ZINC001343353094 1179260497 /nfs/dbraw/zinc/26/04/97/1179260497.db2.gz INQNNWBXSKYQBE-UHFFFAOYSA-N 2 1 306.498 3.298 20 0 DGADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC001345077447 1179522596 /nfs/dbraw/zinc/52/25/96/1179522596.db2.gz QNMRVUPSHYXNPY-QAPCUYQASA-N 2 1 314.429 3.288 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC001345413975 1179560833 /nfs/dbraw/zinc/56/08/33/1179560833.db2.gz YOQWKQUVRRZGEL-JKSUJKDBSA-N 2 1 320.477 3.395 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001351313770 1180198769 /nfs/dbraw/zinc/19/87/69/1180198769.db2.gz DEKFLMZCABEBGS-SJLPKXTDSA-N 2 1 315.505 3.290 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC001200243632 1180479523 /nfs/dbraw/zinc/47/95/23/1180479523.db2.gz LMGYYWYMRVNOBL-HKUYNNGSSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)[NH+](C)C ZINC001353593928 1180601085 /nfs/dbraw/zinc/60/10/85/1180601085.db2.gz UYXXYUAHVWSMCI-LBPRGKRZSA-N 2 1 306.841 3.160 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC001200713273 1180846569 /nfs/dbraw/zinc/84/65/69/1180846569.db2.gz CATUJSGYGPVUOL-UHFFFAOYSA-N 2 1 321.428 3.219 20 0 DGADMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001355372951 1181045506 /nfs/dbraw/zinc/04/55/06/1181045506.db2.gz HITCJQYMSLNYNI-SZMVWBNQSA-N 2 1 302.462 3.247 20 0 DGADMP c1cn2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)sc2n1 ZINC001356039063 1181130208 /nfs/dbraw/zinc/13/02/08/1181130208.db2.gz TUDCEELYKGKPJY-UHFFFAOYSA-N 2 1 318.490 3.283 20 0 DGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC001356070160 1181136254 /nfs/dbraw/zinc/13/62/54/1181136254.db2.gz NFANHCYOWQVDJO-SQNIBIBYSA-N 2 1 320.864 3.246 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001358010217 1181445803 /nfs/dbraw/zinc/44/58/03/1181445803.db2.gz AEWJQSCCNDERPZ-SFHVURJKSA-N 2 1 317.477 3.116 20 0 DGADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460568461 1182696907 /nfs/dbraw/zinc/69/69/07/1182696907.db2.gz LLPUEKSFWNSYOI-MAUKXSAKSA-N 2 1 320.477 3.158 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C1CCC1 ZINC001460624904 1182700440 /nfs/dbraw/zinc/70/04/40/1182700440.db2.gz DWSYOYYMPFWIOR-MOPGFXCFSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460688091 1182707525 /nfs/dbraw/zinc/70/75/25/1182707525.db2.gz FBNXZFKIJQYMKF-UYAOXDASSA-N 2 1 318.505 3.349 20 0 DGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001460776279 1182721106 /nfs/dbraw/zinc/72/11/06/1182721106.db2.gz VLWQLAJMODQHEH-JKSUJKDBSA-N 2 1 322.493 3.057 20 0 DGADMP C[N@@H+]1C[C@]23C[NH+](CCOCC4CCCC4)C[C@@]2(C1)CCCC3 ZINC001460979855 1182750951 /nfs/dbraw/zinc/75/09/51/1182750951.db2.gz VOOGMPMCFUKWEZ-KDURUIRLSA-N 2 1 306.494 3.001 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCOCC4CCCC4)C[C@@]2(C1)CCCC3 ZINC001460979855 1182750957 /nfs/dbraw/zinc/75/09/57/1182750957.db2.gz VOOGMPMCFUKWEZ-KDURUIRLSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCOCC4CCCC4)C[C@@]2(C1)CCCC3 ZINC001460979855 1182750966 /nfs/dbraw/zinc/75/09/66/1182750966.db2.gz VOOGMPMCFUKWEZ-KDURUIRLSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCOCC4CCCC4)C[C@@]2(C1)CCCC3 ZINC001460979855 1182750971 /nfs/dbraw/zinc/75/09/71/1182750971.db2.gz VOOGMPMCFUKWEZ-KDURUIRLSA-N 2 1 306.494 3.001 20 0 DGADMP COc1nccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001461051257 1182761758 /nfs/dbraw/zinc/76/17/58/1182761758.db2.gz PEXFZNHIOQJDFJ-GASCZTMLSA-N 2 1 323.456 3.077 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001461067868 1182762717 /nfs/dbraw/zinc/76/27/17/1182762717.db2.gz RADQNCQVLGIXAT-UHFFFAOYSA-N 2 1 310.445 3.041 20 0 DGADMP Cn1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC001461112169 1182769036 /nfs/dbraw/zinc/76/90/36/1182769036.db2.gz KTQZKWOGJZWQKU-UHFFFAOYSA-N 2 1 312.461 3.086 20 0 DGADMP C[C@H](CC[NH2+]Cc1cc2ccccc2[nH]c1=O)[NH+]1CCCCC1 ZINC001461432783 1182814381 /nfs/dbraw/zinc/81/43/81/1182814381.db2.gz SLSGAMKQTAKBCI-OAHLLOKOSA-N 2 1 313.445 3.295 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CCCC2(C)C)c2ccccn21 ZINC001461567661 1182828839 /nfs/dbraw/zinc/82/88/39/1182828839.db2.gz JCZYMGJEKXNCHF-UHFFFAOYSA-N 2 1 314.477 3.422 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCCC2(C)C)c2ccccn21 ZINC001461567661 1182828848 /nfs/dbraw/zinc/82/88/48/1182828848.db2.gz JCZYMGJEKXNCHF-UHFFFAOYSA-N 2 1 314.477 3.422 20 0 DGADMP COc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC001462079452 1182905008 /nfs/dbraw/zinc/90/50/08/1182905008.db2.gz JECBAUGOCGIGGN-HOTGVXAUSA-N 2 1 317.477 3.141 20 0 DGADMP COc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C ZINC001462079452 1182905011 /nfs/dbraw/zinc/90/50/11/1182905011.db2.gz JECBAUGOCGIGGN-HOTGVXAUSA-N 2 1 317.477 3.141 20 0 DGADMP COc1ccc(SCC[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC001462200389 1182922853 /nfs/dbraw/zinc/92/28/53/1182922853.db2.gz IFCHIHGEXPKOPC-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC001462200389 1182922858 /nfs/dbraw/zinc/92/28/58/1182922858.db2.gz IFCHIHGEXPKOPC-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC001462200389 1182922862 /nfs/dbraw/zinc/92/28/62/1182922862.db2.gz IFCHIHGEXPKOPC-MAUKXSAKSA-N 2 1 320.502 3.203 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc(C)c2)CC1 ZINC001473111095 1183717466 /nfs/dbraw/zinc/71/74/66/1183717466.db2.gz BNMPACBUUPODSX-HXUWFJFHSA-N 2 1 318.505 3.472 20 0 DGADMP CC[C@]1(C)CCC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001473185783 1183725531 /nfs/dbraw/zinc/72/55/31/1183725531.db2.gz HWIALLVHVKSYEJ-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185783 1183725535 /nfs/dbraw/zinc/72/55/35/1183725535.db2.gz HWIALLVHVKSYEJ-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185783 1183725539 /nfs/dbraw/zinc/72/55/39/1183725539.db2.gz HWIALLVHVKSYEJ-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473185783 1183725543 /nfs/dbraw/zinc/72/55/43/1183725543.db2.gz HWIALLVHVKSYEJ-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473185783 1183725548 /nfs/dbraw/zinc/72/55/48/1183725548.db2.gz HWIALLVHVKSYEJ-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001473326150 1183744815 /nfs/dbraw/zinc/74/48/15/1183744815.db2.gz CNIIYFNFRYHGEP-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001473326150 1183744822 /nfs/dbraw/zinc/74/48/22/1183744822.db2.gz CNIIYFNFRYHGEP-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001473326150 1183744826 /nfs/dbraw/zinc/74/48/26/1183744826.db2.gz CNIIYFNFRYHGEP-ZWKOTPCHSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC001473341589 1183746623 /nfs/dbraw/zinc/74/66/23/1183746623.db2.gz DNGFZDQBPDSZFX-HDICACEKSA-N 2 1 317.521 3.158 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCC1(C)C ZINC001473702041 1183791369 /nfs/dbraw/zinc/79/13/69/1183791369.db2.gz AEMIXOQYGARSBX-GOSISDBHSA-N 2 1 310.526 3.493 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)CC1 ZINC001473716781 1183793415 /nfs/dbraw/zinc/79/34/15/1183793415.db2.gz LLEBHWRPFRPBTF-PMACEKPBSA-N 2 1 316.489 3.306 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001473929745 1183831181 /nfs/dbraw/zinc/83/11/81/1183831181.db2.gz IEHOVNBNEMXCFV-GOSISDBHSA-N 2 1 309.542 3.210 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001473935786 1183833804 /nfs/dbraw/zinc/83/38/04/1183833804.db2.gz PCJAQQVEHHXCCX-HZPDHXFCSA-N 2 1 314.477 3.100 20 0 DGADMP CCCn1cncc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001473969733 1183841675 /nfs/dbraw/zinc/84/16/75/1183841675.db2.gz SYSPAXRAUUWUJM-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC001474018846 1183851840 /nfs/dbraw/zinc/85/18/40/1183851840.db2.gz HFAXPYDABRIBGK-DOTOQJQBSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC001474018846 1183851844 /nfs/dbraw/zinc/85/18/44/1183851844.db2.gz HFAXPYDABRIBGK-DOTOQJQBSA-N 2 1 318.490 3.137 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccccc1OC(F)F ZINC001474020156 1183851883 /nfs/dbraw/zinc/85/18/83/1183851883.db2.gz KFZLFIWVHOSSAT-UHFFFAOYSA-N 2 1 309.360 3.363 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC001474301099 1183900111 /nfs/dbraw/zinc/90/01/11/1183900111.db2.gz FAABNXZUJLYYJM-HRCADAONSA-N 2 1 324.415 3.335 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001474302511 1183901461 /nfs/dbraw/zinc/90/14/61/1183901461.db2.gz YTBOHUUKMGSZPH-OKZBNKHCSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001474302511 1183901463 /nfs/dbraw/zinc/90/14/63/1183901463.db2.gz YTBOHUUKMGSZPH-OKZBNKHCSA-N 2 1 302.462 3.295 20 0 DGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)ccc2c1 ZINC001474302650 1183901482 /nfs/dbraw/zinc/90/14/82/1183901482.db2.gz CFLFGDMLMGODGW-DFQSSKMNSA-N 2 1 310.441 3.278 20 0 DGADMP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001474386562 1183913388 /nfs/dbraw/zinc/91/33/88/1183913388.db2.gz FANBKODSHRLXLW-INIZCTEOSA-N 2 1 305.491 3.293 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CCC1CCCCC1)CC[NH+](C)C ZINC001474500517 1183931836 /nfs/dbraw/zinc/93/18/36/1183931836.db2.gz MCHFKMGYVOMBCT-LJQANCHMSA-N 2 1 309.542 3.305 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001474509196 1183932779 /nfs/dbraw/zinc/93/27/79/1183932779.db2.gz QWZWTJFAONFPTH-QRVBRYPASA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001474509196 1183932783 /nfs/dbraw/zinc/93/27/83/1183932783.db2.gz QWZWTJFAONFPTH-QRVBRYPASA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001474560398 1183940813 /nfs/dbraw/zinc/94/08/13/1183940813.db2.gz REXXMMBMMGNNGP-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001474560398 1183940816 /nfs/dbraw/zinc/94/08/16/1183940816.db2.gz REXXMMBMMGNNGP-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001474560398 1183940819 /nfs/dbraw/zinc/94/08/19/1183940819.db2.gz REXXMMBMMGNNGP-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001474575157 1183943255 /nfs/dbraw/zinc/94/32/55/1183943255.db2.gz BZKGBNRKVKXYFW-HNNXBMFYSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001474575157 1183943259 /nfs/dbraw/zinc/94/32/59/1183943259.db2.gz BZKGBNRKVKXYFW-HNNXBMFYSA-N 2 1 318.461 3.200 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001474686072 1183961685 /nfs/dbraw/zinc/96/16/85/1183961685.db2.gz KYGKBCGNRBISRE-GOSISDBHSA-N 2 1 309.457 3.452 20 0 DGADMP Cc1scc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1C ZINC001474685803 1183961982 /nfs/dbraw/zinc/96/19/82/1183961982.db2.gz CFJRECXLZVZFJK-ZDUSSCGKSA-N 2 1 301.459 3.471 20 0 DGADMP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001479627381 1184278307 /nfs/dbraw/zinc/27/83/07/1184278307.db2.gz XVOMFGZZUYOLAN-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001480350679 1184501801 /nfs/dbraw/zinc/50/18/01/1184501801.db2.gz BJNUEEUKULGCJJ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001499840971 1185704889 /nfs/dbraw/zinc/70/48/89/1185704889.db2.gz OOIQTUVOBABODI-IAGOWNOFSA-N 2 1 323.525 3.019 20 0 DGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001503022613 1186036297 /nfs/dbraw/zinc/03/62/97/1186036297.db2.gz AZLNSTUXQKOGJV-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001503022613 1186036301 /nfs/dbraw/zinc/03/63/01/1186036301.db2.gz AZLNSTUXQKOGJV-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001503022613 1186036305 /nfs/dbraw/zinc/03/63/05/1186036305.db2.gz AZLNSTUXQKOGJV-NUQYTELCSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001507088748 1186357935 /nfs/dbraw/zinc/35/79/35/1186357935.db2.gz JTJILBDEHMFEHJ-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCc1[nH]nc(Cl)c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC001656063764 1195993782 /nfs/dbraw/zinc/99/37/82/1195993782.db2.gz BEOBLXOBFCNXFI-ZDUSSCGKSA-N 2 1 312.889 3.370 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC001616382366 1193537135 /nfs/dbraw/zinc/53/71/35/1193537135.db2.gz KEBWIZFIFKATQG-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@@H+]1C[C@H](C[NH2+][C@@H]2CCCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001549037191 1188489009 /nfs/dbraw/zinc/48/90/09/1188489009.db2.gz VITRHBMJKDZZSA-XUVXKRRUSA-N 2 1 321.468 3.394 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@@H]2CCCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001549037191 1188489012 /nfs/dbraw/zinc/48/90/12/1188489012.db2.gz VITRHBMJKDZZSA-XUVXKRRUSA-N 2 1 321.468 3.394 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001549087399 1188492613 /nfs/dbraw/zinc/49/26/13/1188492613.db2.gz IOFQFHSHRRZDIS-QAPCUYQASA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)C1 ZINC001549087674 1188493294 /nfs/dbraw/zinc/49/32/94/1188493294.db2.gz VYTITMVNOZVBFJ-UEDWAMCQSA-N 2 1 314.473 3.008 20 0 DGADMP c1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC001549182555 1188500179 /nfs/dbraw/zinc/50/01/79/1188500179.db2.gz XNCIBIDVMLQONZ-BJLQDIEVSA-N 2 1 322.452 3.288 20 0 DGADMP CCOC1CCC([NH2+]C[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001549189148 1188502910 /nfs/dbraw/zinc/50/29/10/1188502910.db2.gz VLJHVJILIHFKNP-FVELJTHGSA-N 2 1 316.489 3.269 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368445 1188514128 /nfs/dbraw/zinc/51/41/28/1188514128.db2.gz UBYCNHNVWUQTDZ-LLVKDONJSA-N 2 1 313.323 3.412 20 0 DGADMP Cn1cncc1[C@@H]1CCCN(Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368445 1188514130 /nfs/dbraw/zinc/51/41/30/1188514130.db2.gz UBYCNHNVWUQTDZ-LLVKDONJSA-N 2 1 313.323 3.412 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001549582812 1188527834 /nfs/dbraw/zinc/52/78/34/1188527834.db2.gz BUPIXGIQHPRQCL-LBPRGKRZSA-N 2 1 324.350 3.214 20 0 DGADMP Cn1cncc1[C@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 ZINC001549582812 1188527836 /nfs/dbraw/zinc/52/78/36/1188527836.db2.gz BUPIXGIQHPRQCL-LBPRGKRZSA-N 2 1 324.350 3.214 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC001617401390 1193567948 /nfs/dbraw/zinc/56/79/48/1193567948.db2.gz NEQDAKLTSTXIND-LFGUQSLTSA-N 2 1 316.489 3.302 20 0 DGADMP c1c[nH]c([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC001550133574 1188585006 /nfs/dbraw/zinc/58/50/06/1188585006.db2.gz TXGOCAFSXSAKRH-IBGZPJMESA-N 2 1 324.472 3.385 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550351523 1188608730 /nfs/dbraw/zinc/60/87/30/1188608730.db2.gz KOLIXDZWBOYLDE-CRCOGDFISA-N 2 1 322.518 3.187 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001550349530 1188609282 /nfs/dbraw/zinc/60/92/82/1188609282.db2.gz QDZHWAPGTCYOPE-NCOADZHNSA-N 2 1 306.400 3.096 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)cc1 ZINC001550355623 1188610260 /nfs/dbraw/zinc/61/02/60/1188610260.db2.gz ZWPSYXGVQNURLM-ZDNSCYFHSA-N 2 1 316.489 3.125 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3CC4(C3)CCCC4)[C@@H](O)C2)[C@H]1C(C)C ZINC001550521270 1188619132 /nfs/dbraw/zinc/61/91/32/1188619132.db2.gz CZMKFWAYUQDTDD-RMJJICAUSA-N 2 1 320.521 3.169 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)C1 ZINC001550521883 1188619198 /nfs/dbraw/zinc/61/91/98/1188619198.db2.gz ZTVVFMHKURRFJJ-NUJGCVRESA-N 2 1 317.477 3.385 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)o3)C[C@@H]2C1 ZINC001551280804 1188724926 /nfs/dbraw/zinc/72/49/26/1188724926.db2.gz NNNVPZNUSKNYJQ-IXDOHACOSA-N 2 1 317.477 3.042 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001617860515 1193583744 /nfs/dbraw/zinc/58/37/44/1193583744.db2.gz QMZXSALOALNZOA-WOJBJXKFSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001617860515 1193583750 /nfs/dbraw/zinc/58/37/50/1193583750.db2.gz QMZXSALOALNZOA-WOJBJXKFSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001617860515 1193583753 /nfs/dbraw/zinc/58/37/53/1193583753.db2.gz QMZXSALOALNZOA-WOJBJXKFSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001617860512 1193583800 /nfs/dbraw/zinc/58/38/00/1193583800.db2.gz QMZXSALOALNZOA-PMACEKPBSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001617860512 1193583803 /nfs/dbraw/zinc/58/38/03/1193583803.db2.gz QMZXSALOALNZOA-PMACEKPBSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001617860512 1193583806 /nfs/dbraw/zinc/58/38/06/1193583806.db2.gz QMZXSALOALNZOA-PMACEKPBSA-N 2 1 318.505 3.131 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC001552210612 1188825702 /nfs/dbraw/zinc/82/57/02/1188825702.db2.gz CKPIRUOAYPWHLE-WDSOQIARSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001552928697 1188883083 /nfs/dbraw/zinc/88/30/83/1188883083.db2.gz DMNTZEAMDDQOSE-GUDVDZBRSA-N 2 1 314.473 3.022 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c12 ZINC001559070470 1189167495 /nfs/dbraw/zinc/16/74/95/1189167495.db2.gz HIWYZXWTOINOGV-ZIAGYGMSSA-N 2 1 315.465 3.252 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[NH+](C(C)C)C(C)C)c12 ZINC001559126948 1189173210 /nfs/dbraw/zinc/17/32/10/1189173210.db2.gz WYSBGNDZJXZVAT-UHFFFAOYSA-N 2 1 303.454 3.393 20 0 DGADMP CC[C@H](c1ccccc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001559566891 1189217953 /nfs/dbraw/zinc/21/79/53/1189217953.db2.gz QFKZDVZQIGYIJM-VQTJNVASSA-N 2 1 315.505 3.240 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001559586557 1189220633 /nfs/dbraw/zinc/22/06/33/1189220633.db2.gz HFIBLKAUYMNFFQ-MRXNPFEDSA-N 2 1 307.507 3.048 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001559586557 1189220636 /nfs/dbraw/zinc/22/06/36/1189220636.db2.gz HFIBLKAUYMNFFQ-MRXNPFEDSA-N 2 1 307.507 3.048 20 0 DGADMP Cc1ncsc1CCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001559586557 1189220639 /nfs/dbraw/zinc/22/06/39/1189220639.db2.gz HFIBLKAUYMNFFQ-MRXNPFEDSA-N 2 1 307.507 3.048 20 0 DGADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001559738155 1189237016 /nfs/dbraw/zinc/23/70/16/1189237016.db2.gz WYYIEJAIRFGCGT-DOTOQJQBSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)C1CCC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC001559803191 1189243874 /nfs/dbraw/zinc/24/38/74/1189243874.db2.gz XYQRBGBKEPEFHE-UHFFFAOYSA-N 2 1 304.482 3.384 20 0 DGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001559945666 1189260372 /nfs/dbraw/zinc/26/03/72/1189260372.db2.gz AMQNMXMPQQGKDE-OXQOHEQNSA-N 2 1 312.457 3.289 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC001560050985 1189272769 /nfs/dbraw/zinc/27/27/69/1189272769.db2.gz PUFZZAPZWDJOIH-GOSISDBHSA-N 2 1 308.510 3.268 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H]2CCCC[C@H]2O)CC1 ZINC001560068345 1189275329 /nfs/dbraw/zinc/27/53/29/1189275329.db2.gz BQJYZESZMIZFLS-CEXWTWQISA-N 2 1 308.510 3.124 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001560099982 1189278001 /nfs/dbraw/zinc/27/80/01/1189278001.db2.gz BMQLLRCYYGQYMZ-FQEVSTJZSA-N 2 1 318.505 3.442 20 0 DGADMP COCc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC001560366972 1189318931 /nfs/dbraw/zinc/31/89/31/1189318931.db2.gz XBDVXMZKZPDIJW-UHFFFAOYSA-N 2 1 302.462 3.330 20 0 DGADMP COCCOc1cccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001560436346 1189328032 /nfs/dbraw/zinc/32/80/32/1189328032.db2.gz BXGZFHQDDSKALK-KRWDZBQOSA-N 2 1 320.477 3.066 20 0 DGADMP CCO[C@@]1(C)C[C@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001560538618 1189338373 /nfs/dbraw/zinc/33/83/73/1189338373.db2.gz WYLRBRFPYPVAFX-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP CCO[C@@]1(C)C[C@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001560538618 1189338375 /nfs/dbraw/zinc/33/83/75/1189338375.db2.gz WYLRBRFPYPVAFX-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC001560556986 1189341544 /nfs/dbraw/zinc/34/15/44/1189341544.db2.gz ADESPNCGAZIKCX-SOLBZPMBSA-N 2 1 304.478 3.300 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(SC(F)F)cc3)[C@H]2C1 ZINC001560623215 1189349764 /nfs/dbraw/zinc/34/97/64/1189349764.db2.gz RLCRASMCDGWXKB-QEJZJMRPSA-N 2 1 312.429 3.431 20 0 DGADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001560930795 1189406890 /nfs/dbraw/zinc/40/68/90/1189406890.db2.gz OUKDORROXYGUDV-FSGKZVOOSA-N 2 1 314.473 3.197 20 0 DGADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001560947758 1189409739 /nfs/dbraw/zinc/40/97/39/1189409739.db2.gz HEDHPRNZXGRCTN-DNVCBOLYSA-N 2 1 320.525 3.097 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001560965441 1189411646 /nfs/dbraw/zinc/41/16/46/1189411646.db2.gz REYUBZQDZSODBK-OVZGMEQFSA-N 2 1 316.489 3.300 20 0 DGADMP COCCCC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCC1 ZINC001560987682 1189416522 /nfs/dbraw/zinc/41/65/22/1189416522.db2.gz UOIRDIDUIFWSDG-KRWDZBQOSA-N 2 1 317.477 3.189 20 0 DGADMP C[C@@H]1C[C@H]1CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001561050312 1189426957 /nfs/dbraw/zinc/42/69/57/1189426957.db2.gz TWIJVMGBXUVTSB-CABCVRRESA-N 2 1 310.445 3.055 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001566105497 1189735046 /nfs/dbraw/zinc/73/50/46/1189735046.db2.gz HXCNNLOJEGYIKJ-SQNIBIBYSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001566105497 1189735050 /nfs/dbraw/zinc/73/50/50/1189735050.db2.gz HXCNNLOJEGYIKJ-SQNIBIBYSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001566105497 1189735053 /nfs/dbraw/zinc/73/50/53/1189735053.db2.gz HXCNNLOJEGYIKJ-SQNIBIBYSA-N 2 1 323.525 3.019 20 0 DGADMP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001566534122 1189794467 /nfs/dbraw/zinc/79/44/67/1189794467.db2.gz IXELRZNJNNRQEZ-BTFXCVNISA-N 2 1 323.525 3.042 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001566922737 1189953466 /nfs/dbraw/zinc/95/34/66/1189953466.db2.gz CVRTWBKIPBICNX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001566922737 1189953470 /nfs/dbraw/zinc/95/34/70/1189953470.db2.gz CVRTWBKIPBICNX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001566922737 1189953474 /nfs/dbraw/zinc/95/34/74/1189953474.db2.gz CVRTWBKIPBICNX-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001569520857 1190712450 /nfs/dbraw/zinc/71/24/50/1190712450.db2.gz CLSPGYSPOJWKGG-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(C)C)c(C)n1 ZINC001570536518 1190878995 /nfs/dbraw/zinc/87/89/95/1190878995.db2.gz PUUVOBIPFNHPTN-QGZVFWFLSA-N 2 1 317.477 3.199 20 0 DGADMP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570667405 1190913733 /nfs/dbraw/zinc/91/37/33/1190913733.db2.gz HHKNOUUZBDULJU-FPLPWBNLSA-N 2 1 323.525 3.042 20 0 DGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC001574775188 1191451268 /nfs/dbraw/zinc/45/12/68/1191451268.db2.gz XNNLKMPLZBWMRC-GOSISDBHSA-N 2 1 306.494 3.047 20 0 DGADMP CC(C)(C)c1ccc(CC[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001575272854 1191472816 /nfs/dbraw/zinc/47/28/16/1191472816.db2.gz REKLGPLXQMWHLV-CQSZACIVSA-N 2 1 302.384 3.396 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001575409409 1191481460 /nfs/dbraw/zinc/48/14/60/1191481460.db2.gz DVJHZCZHPIRESD-AWEZNQCLSA-N 2 1 304.356 3.091 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001575615437 1191497247 /nfs/dbraw/zinc/49/72/47/1191497247.db2.gz ZNUINMSEDHFMPE-IEBWSBKVSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC001575740996 1191505179 /nfs/dbraw/zinc/50/51/79/1191505179.db2.gz LOTPMSYOSLGICH-QGZVFWFLSA-N 2 1 306.450 3.057 20 0 DGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)OCc1ccccc1 ZINC001575962718 1191519028 /nfs/dbraw/zinc/51/90/28/1191519028.db2.gz WGXNZHFUGGKHCV-NEWSRXKRSA-N 2 1 302.462 3.043 20 0 DGADMP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001576244593 1191547391 /nfs/dbraw/zinc/54/73/91/1191547391.db2.gz MBZYPSMJASCHAD-NOZCTNJESA-N 3 1 319.537 3.150 20 0 DGADMP CC(C)n1c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nc2ccccc21 ZINC001576250724 1191548566 /nfs/dbraw/zinc/54/85/66/1191548566.db2.gz HVOAEIKVIMBMNQ-HUUCEWRRSA-N 2 1 300.450 3.095 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC001618569748 1193743653 /nfs/dbraw/zinc/74/36/53/1193743653.db2.gz GCPYCEYXEGBXAF-GOSISDBHSA-N 2 1 324.428 3.058 20 0 DGADMP c1cc(N2CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC001618869692 1193754035 /nfs/dbraw/zinc/75/40/35/1193754035.db2.gz DOULMWMXADQTLK-UHFFFAOYSA-N 2 1 307.441 3.283 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)CC1CCCC1)CC1CC[NH+](C)CC1 ZINC001620524844 1193775705 /nfs/dbraw/zinc/77/57/05/1193775705.db2.gz VVOFLQAQAXHKGW-IBGZPJMESA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC001620529661 1193775715 /nfs/dbraw/zinc/77/57/15/1193775715.db2.gz CSERCJFEJSXJEE-ATZDWAIDSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC001620529661 1193775717 /nfs/dbraw/zinc/77/57/17/1193775717.db2.gz CSERCJFEJSXJEE-ATZDWAIDSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC001620529661 1193775720 /nfs/dbraw/zinc/77/57/20/1193775720.db2.gz CSERCJFEJSXJEE-ATZDWAIDSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC001620529661 1193775724 /nfs/dbraw/zinc/77/57/24/1193775724.db2.gz CSERCJFEJSXJEE-ATZDWAIDSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC001620529661 1193775727 /nfs/dbraw/zinc/77/57/27/1193775727.db2.gz CSERCJFEJSXJEE-ATZDWAIDSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@H]1CCCC1(F)F ZINC001620594117 1193782143 /nfs/dbraw/zinc/78/21/43/1193782143.db2.gz HQAZMOQGRDIOEH-LSDHHAIUSA-N 2 1 309.404 3.418 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2cnccc2c1 ZINC001620594372 1193782255 /nfs/dbraw/zinc/78/22/55/1193782255.db2.gz OTLYOCDTBAYEIU-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP Cc1ccc(OCCCC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001620725780 1193795170 /nfs/dbraw/zinc/79/51/70/1193795170.db2.gz BUDAHMAEZNTPIB-UHFFFAOYSA-N 2 1 313.445 3.405 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC(C)C)nc2)[C@H](C)C1 ZINC001621122972 1193806431 /nfs/dbraw/zinc/80/64/31/1193806431.db2.gz NJXSDTRNOWAURP-VQIMIIECSA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@H](C)C1 ZINC001621122972 1193806433 /nfs/dbraw/zinc/80/64/33/1193806433.db2.gz NJXSDTRNOWAURP-VQIMIIECSA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@H](C)C1 ZINC001621122972 1193806434 /nfs/dbraw/zinc/80/64/34/1193806434.db2.gz NJXSDTRNOWAURP-VQIMIIECSA-N 2 1 303.494 3.442 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001621245167 1193821668 /nfs/dbraw/zinc/82/16/68/1193821668.db2.gz IATMVDNPBDVUHY-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP CCCC(CCC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001621245475 1193821992 /nfs/dbraw/zinc/82/19/92/1193821992.db2.gz PSMZEXLZIXIRLU-LJQANCHMSA-N 2 1 304.478 3.312 20 0 DGADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC001621445917 1193843804 /nfs/dbraw/zinc/84/38/04/1193843804.db2.gz CPAGAOGGFUFHSS-RDJZCZTQSA-N 2 1 317.477 3.018 20 0 DGADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC001621445917 1193843806 /nfs/dbraw/zinc/84/38/06/1193843806.db2.gz CPAGAOGGFUFHSS-RDJZCZTQSA-N 2 1 317.477 3.018 20 0 DGADMP CCO[C@@H](C[NH2+]CCc1ccc(C(C)(C)C)cc1)C[NH+](C)C ZINC001621518535 1193852871 /nfs/dbraw/zinc/85/28/71/1193852871.db2.gz LRRDQGKUYHMXIB-SFHVURJKSA-N 2 1 306.494 3.083 20 0 DGADMP CCC[C@@H](C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001621528524 1193854258 /nfs/dbraw/zinc/85/42/58/1193854258.db2.gz BSBYOUMLCKTKHH-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@@H](C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001621528524 1193854263 /nfs/dbraw/zinc/85/42/63/1193854263.db2.gz BSBYOUMLCKTKHH-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP CCC[C@@H](C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC001621528524 1193854270 /nfs/dbraw/zinc/85/42/70/1193854270.db2.gz BSBYOUMLCKTKHH-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000043499048 1194221175 /nfs/dbraw/zinc/22/11/75/1194221175.db2.gz UROLZZROEILSCY-OAHLLOKOSA-N 2 1 311.267 3.413 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000043499048 1194221179 /nfs/dbraw/zinc/22/11/79/1194221179.db2.gz UROLZZROEILSCY-OAHLLOKOSA-N 2 1 311.267 3.413 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC001641879205 1194877656 /nfs/dbraw/zinc/87/76/56/1194877656.db2.gz FCRBKICSRRZJQV-ZCNNSNEGSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC001641879205 1194877658 /nfs/dbraw/zinc/87/76/58/1194877658.db2.gz FCRBKICSRRZJQV-ZCNNSNEGSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001641879205 1194877660 /nfs/dbraw/zinc/87/76/60/1194877660.db2.gz FCRBKICSRRZJQV-ZCNNSNEGSA-N 2 1 318.505 3.346 20 0 DGADMP Cc1cc(N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)nc(C)[nH+]1 ZINC001643149923 1194999114 /nfs/dbraw/zinc/99/91/14/1194999114.db2.gz XHLGZFNGJNLNCG-QUCCMNQESA-N 2 1 322.456 3.052 20 0 DGADMP Cc1cc(N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)nc(C)[nH+]1 ZINC001643149923 1194999117 /nfs/dbraw/zinc/99/91/17/1194999117.db2.gz XHLGZFNGJNLNCG-QUCCMNQESA-N 2 1 322.456 3.052 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC001643688154 1195046462 /nfs/dbraw/zinc/04/64/62/1195046462.db2.gz NFJITLHHMJSCIZ-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC001643688154 1195046465 /nfs/dbraw/zinc/04/64/65/1195046465.db2.gz NFJITLHHMJSCIZ-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC001644551036 1195116475 /nfs/dbraw/zinc/11/64/75/1195116475.db2.gz CHQZVOQTJWIHHM-LJQANCHMSA-N 2 1 316.489 3.287 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC001644761778 1195132485 /nfs/dbraw/zinc/13/24/85/1195132485.db2.gz KSMDYOFABZMPKL-GMNCBBECSA-N 2 1 308.510 3.245 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](CC(C)C)C(=O)OC ZINC001647927100 1195266076 /nfs/dbraw/zinc/26/60/76/1195266076.db2.gz MFUNQXBDQYQLES-GOSISDBHSA-N 2 1 320.477 3.158 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](CC(C)C)C(=O)OC ZINC001647927100 1195266078 /nfs/dbraw/zinc/26/60/78/1195266078.db2.gz MFUNQXBDQYQLES-GOSISDBHSA-N 2 1 320.477 3.158 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCO[C@H]2CCCCO2)CC1 ZINC001648027406 1195271328 /nfs/dbraw/zinc/27/13/28/1195271328.db2.gz RVAQOGDOBWGUMH-OALUTQOASA-N 2 1 324.509 3.116 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001649271290 1195331730 /nfs/dbraw/zinc/33/17/30/1195331730.db2.gz ZYHLCSMLOHLUDA-ZDUSSCGKSA-N 2 1 316.367 3.059 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001649271290 1195331735 /nfs/dbraw/zinc/33/17/35/1195331735.db2.gz ZYHLCSMLOHLUDA-ZDUSSCGKSA-N 2 1 316.367 3.059 20 0 DGADMP CCCn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C)n1 ZINC001650902877 1195393786 /nfs/dbraw/zinc/39/37/86/1195393786.db2.gz CTRPLUUFGHSNHS-UHFFFAOYSA-N 2 1 318.509 3.346 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001651253026 1195432967 /nfs/dbraw/zinc/43/29/67/1195432967.db2.gz UYMKTASRIIRCDS-ZDUSSCGKSA-N 2 1 313.367 3.341 20 0 DGADMP CCC[N@@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)C1 ZINC001651366288 1195450383 /nfs/dbraw/zinc/45/03/83/1195450383.db2.gz XGYLWACKPVWZNK-HNNXBMFYSA-N 2 1 300.368 3.365 20 0 DGADMP CCC[N@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)C1 ZINC001651366288 1195450386 /nfs/dbraw/zinc/45/03/86/1195450386.db2.gz XGYLWACKPVWZNK-HNNXBMFYSA-N 2 1 300.368 3.365 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC001652114427 1195549452 /nfs/dbraw/zinc/54/94/52/1195549452.db2.gz VMXKTMPYUIZHBB-QGZVFWFLSA-N 2 1 306.450 3.295 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCc3ccc(F)c(F)c3)C2)CC1 ZINC001652393567 1195592690 /nfs/dbraw/zinc/59/26/90/1195592690.db2.gz BTIYFPJPSULDOY-MRXNPFEDSA-N 2 1 308.416 3.171 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001652468524 1195602922 /nfs/dbraw/zinc/60/29/22/1195602922.db2.gz KIQKGKHXQLZFPY-HNBVOPMISA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001652468524 1195602924 /nfs/dbraw/zinc/60/29/24/1195602924.db2.gz KIQKGKHXQLZFPY-HNBVOPMISA-N 2 1 314.473 3.105 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC001652512825 1195610855 /nfs/dbraw/zinc/61/08/55/1195610855.db2.gz MABOMTBGIXJKIZ-QLFBSQMISA-N 2 1 317.315 3.260 20 0 DGADMP Cc1cc([C@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)c(O)cc1Cl ZINC001652865053 1195663555 /nfs/dbraw/zinc/66/35/55/1195663555.db2.gz BWYWZYCCZHRICP-HNNXBMFYSA-N 2 1 322.880 3.485 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882915 1195667106 /nfs/dbraw/zinc/66/71/06/1195667106.db2.gz ZICBTFXEJSUQHX-WMLDXEAASA-N 2 1 316.449 3.222 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882915 1195667108 /nfs/dbraw/zinc/66/71/08/1195667108.db2.gz ZICBTFXEJSUQHX-WMLDXEAASA-N 2 1 316.449 3.222 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001653230471 1195701458 /nfs/dbraw/zinc/70/14/58/1195701458.db2.gz ISTRZSBSNKAHQZ-MJGOQNOKSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12)C1CC1 ZINC001653260784 1195704872 /nfs/dbraw/zinc/70/48/72/1195704872.db2.gz ZBQWMGQYFMAMAH-CQSZACIVSA-N 2 1 310.445 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CSC2)CC[N@@H+]1Cc1ccccc1 ZINC001653270433 1195705799 /nfs/dbraw/zinc/70/57/99/1195705799.db2.gz YSEHDCLAPSMMIR-QAPCUYQASA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001653270433 1195705804 /nfs/dbraw/zinc/70/58/04/1195705804.db2.gz YSEHDCLAPSMMIR-QAPCUYQASA-N 2 1 304.503 3.382 20 0 DGADMP CCN(C[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001653286545 1195707843 /nfs/dbraw/zinc/70/78/43/1195707843.db2.gz QERSURXXYUTGPM-SXLOBPIMSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001653286545 1195707846 /nfs/dbraw/zinc/70/78/46/1195707846.db2.gz QERSURXXYUTGPM-SXLOBPIMSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001653286545 1195707848 /nfs/dbraw/zinc/70/78/48/1195707848.db2.gz QERSURXXYUTGPM-SXLOBPIMSA-N 2 1 315.505 3.238 20 0 DGADMP CN(CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC001653466076 1195725648 /nfs/dbraw/zinc/72/56/48/1195725648.db2.gz RKEXCKHPWKLZSP-IBGZPJMESA-N 2 1 303.494 3.319 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC001653532119 1195731575 /nfs/dbraw/zinc/73/15/75/1195731575.db2.gz DXIGMFBXAPUEFF-FQEVSTJZSA-N 2 1 318.505 3.360 20 0 DGADMP CC[C@@H]1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)[C@@H]1C ZINC001654218061 1195785287 /nfs/dbraw/zinc/78/52/87/1195785287.db2.gz ICSDHRCLEZZIBA-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540711 1195814683 /nfs/dbraw/zinc/81/46/83/1195814683.db2.gz IUIMJPSSGHXHDY-QAETUUGQSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540711 1195814688 /nfs/dbraw/zinc/81/46/88/1195814688.db2.gz IUIMJPSSGHXHDY-QAETUUGQSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540711 1195814692 /nfs/dbraw/zinc/81/46/92/1195814692.db2.gz IUIMJPSSGHXHDY-QAETUUGQSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540711 1195814697 /nfs/dbraw/zinc/81/46/97/1195814697.db2.gz IUIMJPSSGHXHDY-QAETUUGQSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000069711483 1195815243 /nfs/dbraw/zinc/81/52/43/1195815243.db2.gz COHQBFYEZFRETC-UHFFFAOYSA-N 2 1 320.383 3.195 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543927 1195815611 /nfs/dbraw/zinc/81/56/11/1195815611.db2.gz WYRSSWOSMYSOJX-DOTOQJQBSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543927 1195815615 /nfs/dbraw/zinc/81/56/15/1195815615.db2.gz WYRSSWOSMYSOJX-DOTOQJQBSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543927 1195815618 /nfs/dbraw/zinc/81/56/18/1195815618.db2.gz WYRSSWOSMYSOJX-DOTOQJQBSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001654543927 1195815621 /nfs/dbraw/zinc/81/56/21/1195815621.db2.gz WYRSSWOSMYSOJX-DOTOQJQBSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)C[N@@H+](CCC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001654594438 1195821892 /nfs/dbraw/zinc/82/18/92/1195821892.db2.gz FBGMHJOHNIDVEG-UHFFFAOYSA-N 2 1 312.498 3.018 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001654659505 1195827447 /nfs/dbraw/zinc/82/74/47/1195827447.db2.gz BSLMCTYZHLVLLD-NIKGAXFTSA-N 2 1 311.404 3.287 20 0 DGADMP CCSCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654728322 1195833442 /nfs/dbraw/zinc/83/34/42/1195833442.db2.gz ZIIKZLSSFBUQAF-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654728322 1195833450 /nfs/dbraw/zinc/83/34/50/1195833450.db2.gz ZIIKZLSSFBUQAF-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CCSCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654728322 1195833452 /nfs/dbraw/zinc/83/34/52/1195833452.db2.gz ZIIKZLSSFBUQAF-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP Cc1cccc([C@H](C)[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001654774765 1195838780 /nfs/dbraw/zinc/83/87/80/1195838780.db2.gz OADPCLGXAFVYAH-INIZCTEOSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@H]1[C@@H](N(C)C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057663 1195870686 /nfs/dbraw/zinc/87/06/86/1195870686.db2.gz RNNKBRZRJYIDQM-PXNSSMCTSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1[C@@H](N(C)C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057663 1195870690 /nfs/dbraw/zinc/87/06/90/1195870690.db2.gz RNNKBRZRJYIDQM-PXNSSMCTSA-N 2 1 315.505 3.197 20 0 DGADMP Cc1cccn2c(C[NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)cnc12 ZINC001655302455 1195901171 /nfs/dbraw/zinc/90/11/71/1195901171.db2.gz ZLXYHDLYSCBESB-HZPDHXFCSA-N 2 1 314.477 3.100 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655420908 1195914862 /nfs/dbraw/zinc/91/48/62/1195914862.db2.gz HTHMGUXIWCTUSO-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655420908 1195914866 /nfs/dbraw/zinc/91/48/66/1195914866.db2.gz HTHMGUXIWCTUSO-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001655421410 1195914909 /nfs/dbraw/zinc/91/49/09/1195914909.db2.gz WQSYESNOHQNWBI-MRXNPFEDSA-N 2 1 306.498 3.076 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001655421410 1195914913 /nfs/dbraw/zinc/91/49/13/1195914913.db2.gz WQSYESNOHQNWBI-MRXNPFEDSA-N 2 1 306.498 3.076 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001655463646 1195920885 /nfs/dbraw/zinc/92/08/85/1195920885.db2.gz UETBLAZIPXSBRW-CABCVRRESA-N 2 1 309.404 3.418 20 0 DGADMP C[C@H]1C[N@@H+](CCSc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001655463067 1195921485 /nfs/dbraw/zinc/92/14/85/1195921485.db2.gz FPERMDIFOBBTCI-INIZCTEOSA-N 2 1 313.470 3.384 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccc2ccccc21 ZINC001655616963 1195941302 /nfs/dbraw/zinc/94/13/02/1195941302.db2.gz NJRASGZIPMZGFJ-APWZRJJASA-N 2 1 300.446 3.193 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001655617599 1195942057 /nfs/dbraw/zinc/94/20/57/1195942057.db2.gz IPQAJWOYVRBOLB-PKOBYXMFSA-N 2 1 304.478 3.222 20 0 DGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC001655725229 1195956206 /nfs/dbraw/zinc/95/62/06/1195956206.db2.gz RWNNQHJDCXQSOD-SJLPKXTDSA-N 2 1 312.461 3.143 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC001655725386 1195956429 /nfs/dbraw/zinc/95/64/29/1195956429.db2.gz WBTGVXUMJDOLBG-KGLIPLIRSA-N 2 1 324.852 3.074 20 0 DGADMP CC(C)c1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)nc(C(C)C)n1 ZINC001655956114 1195982383 /nfs/dbraw/zinc/98/23/83/1195982383.db2.gz ZAZJKHFKKGHDJC-RRFJBIMHSA-N 2 1 302.466 3.476 20 0 DGADMP CCn1nccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001656266758 1196024779 /nfs/dbraw/zinc/02/47/79/1196024779.db2.gz YZJOYXZGGNYSQH-UHFFFAOYSA-N 2 1 304.482 3.037 20 0 DGADMP CC(C)c1nc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)cs1 ZINC001656291031 1196026939 /nfs/dbraw/zinc/02/69/39/1196026939.db2.gz ZNBDSJFGLQXWKB-UHFFFAOYSA-N 2 1 304.463 3.060 20 0 DGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c2c(n1)CCCC2 ZINC001656568983 1196050738 /nfs/dbraw/zinc/05/07/38/1196050738.db2.gz FUTHDUQYPOWOPM-UHFFFAOYSA-N 2 1 303.494 3.336 20 0 DGADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)c2c(n1)CCCC2 ZINC001656568983 1196050741 /nfs/dbraw/zinc/05/07/41/1196050741.db2.gz FUTHDUQYPOWOPM-UHFFFAOYSA-N 2 1 303.494 3.336 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001656632599 1196056691 /nfs/dbraw/zinc/05/66/91/1196056691.db2.gz GKIKUIJTAQKLND-CXAGYDPISA-N 2 1 302.466 3.231 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001656743747 1196067308 /nfs/dbraw/zinc/06/73/08/1196067308.db2.gz TVCTYUHREWYDPQ-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001656743747 1196067311 /nfs/dbraw/zinc/06/73/11/1196067311.db2.gz TVCTYUHREWYDPQ-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP C[C@H](O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001656951485 1196086270 /nfs/dbraw/zinc/08/62/70/1196086270.db2.gz UGJBACPPXCXUAH-KRWDZBQOSA-N 2 1 324.468 3.494 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC4(CCC4)CO3)C2)CC1 ZINC001657123276 1196108497 /nfs/dbraw/zinc/10/84/97/1196108497.db2.gz YBUASUDMDFOXDV-OALUTQOASA-N 2 1 320.521 3.390 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC001657148565 1196111741 /nfs/dbraw/zinc/11/17/41/1196111741.db2.gz ITNXLDQTXSJOJI-JLJPHGGASA-N 2 1 315.848 3.318 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159833 1196112998 /nfs/dbraw/zinc/11/29/98/1196112998.db2.gz VYIYCAQZJCOODR-NUEKZKHPSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159833 1196112999 /nfs/dbraw/zinc/11/29/99/1196112999.db2.gz VYIYCAQZJCOODR-NUEKZKHPSA-N 2 1 305.441 3.169 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001657322110 1196129795 /nfs/dbraw/zinc/12/97/95/1196129795.db2.gz DKYKKTFBTWPYFY-QWQRMKEZSA-N 2 1 316.493 3.477 20 0 DGADMP Clc1nccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1Cl ZINC001657507582 1196149600 /nfs/dbraw/zinc/14/96/00/1196149600.db2.gz RXADREGHDKCVGR-UHFFFAOYSA-N 2 1 307.184 3.326 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccccc2)C1 ZINC001657768866 1196177368 /nfs/dbraw/zinc/17/73/68/1196177368.db2.gz PIUJYRWFZSPSLE-VHTFYLNKSA-N 2 1 322.452 3.056 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC001657795495 1196178849 /nfs/dbraw/zinc/17/88/49/1196178849.db2.gz HIVIGVLUAQWETB-UXHICEINSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001657795495 1196178852 /nfs/dbraw/zinc/17/88/52/1196178852.db2.gz HIVIGVLUAQWETB-UXHICEINSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001657795495 1196178853 /nfs/dbraw/zinc/17/88/53/1196178853.db2.gz HIVIGVLUAQWETB-UXHICEINSA-N 2 1 318.505 3.175 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC001658176028 1196220949 /nfs/dbraw/zinc/22/09/49/1196220949.db2.gz WROZNYAJPJQAGB-JYJNAYRXSA-N 2 1 312.379 3.221 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC001658186797 1196222381 /nfs/dbraw/zinc/22/23/81/1196222381.db2.gz VSJIZPPYTOCVHB-MRXNPFEDSA-N 2 1 300.450 3.082 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC001658262676 1196232132 /nfs/dbraw/zinc/23/21/32/1196232132.db2.gz HQWXSTGYWZGFJI-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001658262676 1196232136 /nfs/dbraw/zinc/23/21/36/1196232136.db2.gz HQWXSTGYWZGFJI-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001658262676 1196232141 /nfs/dbraw/zinc/23/21/41/1196232141.db2.gz HQWXSTGYWZGFJI-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC001658262676 1196232145 /nfs/dbraw/zinc/23/21/45/1196232145.db2.gz HQWXSTGYWZGFJI-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC001658262676 1196232149 /nfs/dbraw/zinc/23/21/49/1196232149.db2.gz HQWXSTGYWZGFJI-QAPCUYQASA-N 2 1 306.425 3.141 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC001658311414 1196240718 /nfs/dbraw/zinc/24/07/18/1196240718.db2.gz XYKJLSYOHSWCEW-OKZBNKHCSA-N 2 1 308.510 3.436 20 0 DGADMP CCn1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348537 1196245976 /nfs/dbraw/zinc/24/59/76/1196245976.db2.gz ZDRNOXJANMOPEP-FUHWJXTLSA-N 2 1 318.509 3.298 20 0 DGADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(OC(F)F)cc1C ZINC001658362367 1196247351 /nfs/dbraw/zinc/24/73/51/1196247351.db2.gz BXWPTDZXJJPFAE-CYBMUJFWSA-N 2 1 300.393 3.335 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001658486425 1196263358 /nfs/dbraw/zinc/26/33/58/1196263358.db2.gz ATQJELFBMMHBGB-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001658851435 1196309270 /nfs/dbraw/zinc/30/92/70/1196309270.db2.gz WYEBMANTVXWTKK-KURKYZTESA-N 2 1 308.510 3.244 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC001658854423 1196309803 /nfs/dbraw/zinc/30/98/03/1196309803.db2.gz HQWCUKXNWPKKIR-QAPCUYQASA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC001658854423 1196309807 /nfs/dbraw/zinc/30/98/07/1196309807.db2.gz HQWCUKXNWPKKIR-QAPCUYQASA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC001658854423 1196309813 /nfs/dbraw/zinc/30/98/13/1196309813.db2.gz HQWCUKXNWPKKIR-QAPCUYQASA-N 2 1 302.462 3.174 20 0 DGADMP COCc1csc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001659122720 1196348433 /nfs/dbraw/zinc/34/84/33/1196348433.db2.gz SOMXHAWGTFIXBU-HDICACEKSA-N 2 1 320.502 3.202 20 0 DGADMP COCc1csc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001659122720 1196348441 /nfs/dbraw/zinc/34/84/41/1196348441.db2.gz SOMXHAWGTFIXBU-HDICACEKSA-N 2 1 320.502 3.202 20 0 DGADMP COCc1csc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001659122720 1196348448 /nfs/dbraw/zinc/34/84/48/1196348448.db2.gz SOMXHAWGTFIXBU-HDICACEKSA-N 2 1 320.502 3.202 20 0 DGADMP COCc1csc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001659122720 1196348457 /nfs/dbraw/zinc/34/84/57/1196348457.db2.gz SOMXHAWGTFIXBU-HDICACEKSA-N 2 1 320.502 3.202 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001659341085 1196373037 /nfs/dbraw/zinc/37/30/37/1196373037.db2.gz IZECHEZPMSEWKP-HLIPFELVSA-N 2 1 318.505 3.033 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001659341085 1196373045 /nfs/dbraw/zinc/37/30/45/1196373045.db2.gz IZECHEZPMSEWKP-HLIPFELVSA-N 2 1 318.505 3.033 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001659708144 1196406951 /nfs/dbraw/zinc/40/69/51/1196406951.db2.gz VBKRWPPFBJVKOQ-MRXNPFEDSA-N 2 1 319.468 3.055 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001659951886 1196432070 /nfs/dbraw/zinc/43/20/70/1196432070.db2.gz IRBNMRYYHWNSFC-CYBMUJFWSA-N 2 1 318.383 3.446 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001659951886 1196432072 /nfs/dbraw/zinc/43/20/72/1196432072.db2.gz IRBNMRYYHWNSFC-CYBMUJFWSA-N 2 1 318.383 3.446 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@H]1CC ZINC001660053295 1196441181 /nfs/dbraw/zinc/44/11/81/1196441181.db2.gz FKVITMGIBVJKOS-YSTOQKLRSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CC[C@H]1CC ZINC001660053295 1196441184 /nfs/dbraw/zinc/44/11/84/1196441184.db2.gz FKVITMGIBVJKOS-YSTOQKLRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001660225175 1196458849 /nfs/dbraw/zinc/45/88/49/1196458849.db2.gz YKSWSHIENVHIJN-RNQOJCNYSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001660225175 1196458852 /nfs/dbraw/zinc/45/88/52/1196458852.db2.gz YKSWSHIENVHIJN-RNQOJCNYSA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@H]1CCC[C@@H](C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC001660459083 1196485867 /nfs/dbraw/zinc/48/58/67/1196485867.db2.gz YWMIJXYVIRQGFW-PKOBYXMFSA-N 2 1 310.526 3.493 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCSCc1ccccc1F ZINC001660748132 1196518739 /nfs/dbraw/zinc/51/87/39/1196518739.db2.gz XOFOEWLFCWRUQD-UHFFFAOYSA-N 2 1 319.449 3.310 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCn1ccc2ccccc21 ZINC001660756238 1196519695 /nfs/dbraw/zinc/51/96/95/1196519695.db2.gz RKNPEHBWEUPUEX-UHFFFAOYSA-N 2 1 308.429 3.282 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)CC2 ZINC001660767675 1196521500 /nfs/dbraw/zinc/52/15/00/1196521500.db2.gz JXWHMEQKQQOEKT-SFHVURJKSA-N 2 1 316.489 3.407 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COc3c(F)cc(F)cc3C2)CC1 ZINC001660882565 1196537735 /nfs/dbraw/zinc/53/77/35/1196537735.db2.gz MULRLKNTLHLNDA-OAHLLOKOSA-N 2 1 324.415 3.121 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001660884500 1196539402 /nfs/dbraw/zinc/53/94/02/1196539402.db2.gz FZISVKVRXDLRSS-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC001660953223 1196546266 /nfs/dbraw/zinc/54/62/66/1196546266.db2.gz CICFVJZQGVXSQH-QXAKKESOSA-N 2 1 314.473 3.159 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC001660953223 1196546267 /nfs/dbraw/zinc/54/62/67/1196546267.db2.gz CICFVJZQGVXSQH-QXAKKESOSA-N 2 1 314.473 3.159 20 0 DGADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)C[NH+]1CCCCC1 ZINC001661054082 1196559173 /nfs/dbraw/zinc/55/91/73/1196559173.db2.gz LFTDDSPEQDKWQH-INIZCTEOSA-N 2 1 318.509 3.289 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001661208547 1196582342 /nfs/dbraw/zinc/58/23/42/1196582342.db2.gz FHICXRWJHXMVNN-NSHDSACASA-N 2 1 322.346 3.197 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC000077434129 1196595224 /nfs/dbraw/zinc/59/52/24/1196595224.db2.gz LSZHMDRFUYLRRZ-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP COc1cc(C)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001662194147 1196692593 /nfs/dbraw/zinc/69/25/93/1196692593.db2.gz OGEZMPRLDGUCRI-MRXNPFEDSA-N 2 1 320.477 3.366 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001662804340 1196754199 /nfs/dbraw/zinc/75/41/99/1196754199.db2.gz QEDIPQUOQGYKGQ-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001662804340 1196754202 /nfs/dbraw/zinc/75/42/02/1196754202.db2.gz QEDIPQUOQGYKGQ-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC001663219442 1196812810 /nfs/dbraw/zinc/81/28/10/1196812810.db2.gz LROUGZFDUGYPTI-UHFFFAOYSA-N 2 1 313.420 3.498 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001663483084 1196882851 /nfs/dbraw/zinc/88/28/51/1196882851.db2.gz IODYKCDVJJYCBS-CWRNSKLLSA-N 2 1 312.379 3.444 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)[C@H]2C1 ZINC001663489209 1196885133 /nfs/dbraw/zinc/88/51/33/1196885133.db2.gz MTWIVYCBUYBCQC-UBHSHLNASA-N 2 1 321.877 3.380 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@H]2C1 ZINC001663489017 1196885542 /nfs/dbraw/zinc/88/55/42/1196885542.db2.gz GUXSXDCDLMDGRJ-DUFXMDAXSA-N 2 1 314.260 3.005 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3N)[C@H]2C1 ZINC001663489017 1196885548 /nfs/dbraw/zinc/88/55/48/1196885548.db2.gz GUXSXDCDLMDGRJ-DUFXMDAXSA-N 2 1 314.260 3.005 20 0 DGADMP CC[C@@](C)(C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC001663949246 1196960648 /nfs/dbraw/zinc/96/06/48/1196960648.db2.gz CFIOKTOGYAZEAK-MOPGFXCFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@@](C)(C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001663949246 1196960650 /nfs/dbraw/zinc/96/06/50/1196960650.db2.gz CFIOKTOGYAZEAK-MOPGFXCFSA-N 2 1 304.478 3.255 20 0 DGADMP CC[C@@](C)(C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001663949246 1196960653 /nfs/dbraw/zinc/96/06/53/1196960653.db2.gz CFIOKTOGYAZEAK-MOPGFXCFSA-N 2 1 304.478 3.255 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001664617255 1197022349 /nfs/dbraw/zinc/02/23/49/1197022349.db2.gz BMUIZZYEVKTZLO-WMLDXEAASA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001664617255 1197022354 /nfs/dbraw/zinc/02/23/54/1197022354.db2.gz BMUIZZYEVKTZLO-WMLDXEAASA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001664617255 1197022358 /nfs/dbraw/zinc/02/23/58/1197022358.db2.gz BMUIZZYEVKTZLO-WMLDXEAASA-N 2 1 308.491 3.059 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001664617255 1197022363 /nfs/dbraw/zinc/02/23/63/1197022363.db2.gz BMUIZZYEVKTZLO-WMLDXEAASA-N 2 1 308.491 3.059 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCOCc1ccccc1 ZINC001664640246 1197024213 /nfs/dbraw/zinc/02/42/13/1197024213.db2.gz PVGQXQRLLFFYSD-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCOCc1ccccc1 ZINC001664640246 1197024215 /nfs/dbraw/zinc/02/42/15/1197024215.db2.gz PVGQXQRLLFFYSD-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001664879337 1197074555 /nfs/dbraw/zinc/07/45/55/1197074555.db2.gz REXXMMBMMGNNGP-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001664879337 1197074560 /nfs/dbraw/zinc/07/45/60/1197074560.db2.gz REXXMMBMMGNNGP-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001664879337 1197074565 /nfs/dbraw/zinc/07/45/65/1197074565.db2.gz REXXMMBMMGNNGP-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CC(C)(C)OC(=O)C1CC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001665277149 1197117469 /nfs/dbraw/zinc/11/74/69/1197117469.db2.gz JCBAYEGLIQUWJZ-HWOWSKLDSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCN(C3CCCCC3)C2)C1 ZINC001665277149 1197117471 /nfs/dbraw/zinc/11/74/71/1197117471.db2.gz JCBAYEGLIQUWJZ-HWOWSKLDSA-N 2 1 322.493 3.103 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001665434752 1197137001 /nfs/dbraw/zinc/13/70/01/1197137001.db2.gz TYWIIRWVCVLCMA-CUDHKJQZSA-N 2 1 318.505 3.405 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC001665848215 1197206803 /nfs/dbraw/zinc/20/68/03/1197206803.db2.gz RPUAVJCGGASIRA-UHFFFAOYSA-N 2 1 304.478 3.495 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC001665848215 1197206806 /nfs/dbraw/zinc/20/68/06/1197206806.db2.gz RPUAVJCGGASIRA-UHFFFAOYSA-N 2 1 304.478 3.495 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)s2)CC1 ZINC000083418372 1197427386 /nfs/dbraw/zinc/42/73/86/1197427386.db2.gz WUTORFICPQNJCT-SNVBAGLBSA-N 2 1 303.269 3.085 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)on2)cc1 ZINC000391842248 1197715628 /nfs/dbraw/zinc/71/56/28/1197715628.db2.gz YNDOJYLDURAJJD-QFBILLFUSA-N 2 1 311.429 3.211 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1 ZINC000393410447 1197718951 /nfs/dbraw/zinc/71/89/51/1197718951.db2.gz ZQZCTDDUOLIGTG-MRXNPFEDSA-N 2 1 304.478 3.480 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2Br)CC1 ZINC000091871361 1198481270 /nfs/dbraw/zinc/48/12/70/1198481270.db2.gz SMVNESOLPILUJG-UHFFFAOYSA-N 2 1 311.267 3.412 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000098173184 1199204179 /nfs/dbraw/zinc/20/41/79/1199204179.db2.gz YYKGPAYXLDISPX-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP CO[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400170614 1199345121 /nfs/dbraw/zinc/34/51/21/1199345121.db2.gz KIYDXYWSMLSKQN-QUCCMNQESA-N 2 1 316.489 3.303 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000103173881 1199483208 /nfs/dbraw/zinc/48/32/08/1199483208.db2.gz UPRNAOLREMXTMS-KRWDZBQOSA-N 2 1 300.471 3.402 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC000108942663 1199618737 /nfs/dbraw/zinc/61/87/37/1199618737.db2.gz DQLUPZMWDDWWPC-UHFFFAOYSA-N 2 1 302.462 3.200 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309847569 1199710308 /nfs/dbraw/zinc/71/03/08/1199710308.db2.gz YSPOSCOKVUXFFZ-FQEVSTJZSA-N 2 1 309.457 3.392 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309847569 1199710314 /nfs/dbraw/zinc/71/03/14/1199710314.db2.gz YSPOSCOKVUXFFZ-FQEVSTJZSA-N 2 1 309.457 3.392 20 0 DGADMP C[C@](O)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310287900 1199715004 /nfs/dbraw/zinc/71/50/04/1199715004.db2.gz MVXIIHFIPJQIOU-CTNGQTDRSA-N 2 1 324.468 3.006 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000421839314 1199771652 /nfs/dbraw/zinc/77/16/52/1199771652.db2.gz WRGWJVQPCBIFGC-RBUKOAKNSA-N 2 1 313.489 3.183 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000421839314 1199771656 /nfs/dbraw/zinc/77/16/56/1199771656.db2.gz WRGWJVQPCBIFGC-RBUKOAKNSA-N 2 1 313.489 3.183 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000317040035 1199821264 /nfs/dbraw/zinc/82/12/64/1199821264.db2.gz WCEQPVRODXKZKS-XMTFNYHQSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000317040035 1199821267 /nfs/dbraw/zinc/82/12/67/1199821267.db2.gz WCEQPVRODXKZKS-XMTFNYHQSA-N 2 1 308.510 3.434 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000318656941 1199833477 /nfs/dbraw/zinc/83/34/77/1199833477.db2.gz YJLMEXUWDBZADT-ZDUSSCGKSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000318656941 1199833480 /nfs/dbraw/zinc/83/34/80/1199833480.db2.gz YJLMEXUWDBZADT-ZDUSSCGKSA-N 2 1 310.388 3.252 20 0 DGADMP CC(C)[N@@H+](C)CCCNC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000319195684 1199836711 /nfs/dbraw/zinc/83/67/11/1199836711.db2.gz YKXXGAJFCSIATE-OAHLLOKOSA-N 2 1 318.383 3.059 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000319195684 1199836715 /nfs/dbraw/zinc/83/67/15/1199836715.db2.gz YKXXGAJFCSIATE-OAHLLOKOSA-N 2 1 318.383 3.059 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000319195684 1199836719 /nfs/dbraw/zinc/83/67/19/1199836719.db2.gz YKXXGAJFCSIATE-OAHLLOKOSA-N 2 1 318.383 3.059 20 0 DGADMP CCc1nn(C)c(CC)c1CNC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000119248280 1200049156 /nfs/dbraw/zinc/04/91/56/1200049156.db2.gz FSXVTRCRTOSHPD-MRXNPFEDSA-N 2 1 320.525 3.003 20 0 DGADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000119248280 1200049161 /nfs/dbraw/zinc/04/91/61/1200049161.db2.gz FSXVTRCRTOSHPD-MRXNPFEDSA-N 2 1 320.525 3.003 20 0 DGADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000119248280 1200049164 /nfs/dbraw/zinc/04/91/64/1200049164.db2.gz FSXVTRCRTOSHPD-MRXNPFEDSA-N 2 1 320.525 3.003 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc12 ZINC000119406125 1200064815 /nfs/dbraw/zinc/06/48/15/1200064815.db2.gz JCXCOTPNVXDZJT-HNNXBMFYSA-N 2 1 310.441 3.422 20 0 DGADMP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754239406 1200146000 /nfs/dbraw/zinc/14/60/00/1200146000.db2.gz VWKVWXBFGRCSIM-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000120784109 1200169803 /nfs/dbraw/zinc/16/98/03/1200169803.db2.gz LAPVBQXEXSCVOT-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000120778950 1200170243 /nfs/dbraw/zinc/17/02/43/1200170243.db2.gz FEOPAPJLSBYJOD-OAHLLOKOSA-N 2 1 306.498 3.165 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000120778950 1200170246 /nfs/dbraw/zinc/17/02/46/1200170246.db2.gz FEOPAPJLSBYJOD-OAHLLOKOSA-N 2 1 306.498 3.165 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000125655905 1200453877 /nfs/dbraw/zinc/45/38/77/1200453877.db2.gz QLFRJEZXDKCVTL-CYBMUJFWSA-N 2 1 305.447 3.143 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000125655905 1200453884 /nfs/dbraw/zinc/45/38/84/1200453884.db2.gz QLFRJEZXDKCVTL-CYBMUJFWSA-N 2 1 305.447 3.143 20 0 DGADMP COc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000125984425 1200478844 /nfs/dbraw/zinc/47/88/44/1200478844.db2.gz GUSAYSDMDYITRE-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755024962 1200586570 /nfs/dbraw/zinc/58/65/70/1200586570.db2.gz LZTBJVNQYRPGKS-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755024962 1200586580 /nfs/dbraw/zinc/58/65/80/1200586580.db2.gz LZTBJVNQYRPGKS-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024962 1200586590 /nfs/dbraw/zinc/58/65/90/1200586590.db2.gz LZTBJVNQYRPGKS-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001755162310 1200668013 /nfs/dbraw/zinc/66/80/13/1200668013.db2.gz SSVVFKYQKFGZJY-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755162310 1200668016 /nfs/dbraw/zinc/66/80/16/1200668016.db2.gz SSVVFKYQKFGZJY-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755162310 1200668024 /nfs/dbraw/zinc/66/80/24/1200668024.db2.gz SSVVFKYQKFGZJY-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001699770241 1202073668 /nfs/dbraw/zinc/07/36/68/1202073668.db2.gz GJOWKFBTZPTWOV-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753108714 1202140235 /nfs/dbraw/zinc/14/02/35/1202140235.db2.gz NTLWVINJCKPMFM-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001700289536 1202227538 /nfs/dbraw/zinc/22/75/38/1202227538.db2.gz PTQZEFFAKOSJPB-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753780196 1202332486 /nfs/dbraw/zinc/33/24/86/1202332486.db2.gz RMGLUGQHRPVNET-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001707198173 1202576125 /nfs/dbraw/zinc/57/61/25/1202576125.db2.gz QZLMAHLMHKCSBU-DLBZAZTESA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1CC ZINC001707198173 1202576126 /nfs/dbraw/zinc/57/61/26/1202576126.db2.gz QZLMAHLMHKCSBU-DLBZAZTESA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1CC ZINC001707198173 1202576127 /nfs/dbraw/zinc/57/61/27/1202576127.db2.gz QZLMAHLMHKCSBU-DLBZAZTESA-N 2 1 323.525 3.019 20 0 DGADMP COCCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000151216148 1202591781 /nfs/dbraw/zinc/59/17/81/1202591781.db2.gz JSMYCPUQZXVHCE-UHFFFAOYSA-N 2 1 302.462 3.057 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000154850835 1202598088 /nfs/dbraw/zinc/59/80/88/1202598088.db2.gz NLRLGNLWFDDLDS-LJQANCHMSA-N 2 1 318.505 3.488 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328547 1202603520 /nfs/dbraw/zinc/60/35/20/1202603520.db2.gz DGAWTLKJSNPHCF-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328547 1202603521 /nfs/dbraw/zinc/60/35/21/1202603521.db2.gz DGAWTLKJSNPHCF-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1Br ZINC000234358309 1202603649 /nfs/dbraw/zinc/60/36/49/1202603649.db2.gz IWROTECCWAMABZ-AWEZNQCLSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000236865714 1202630888 /nfs/dbraw/zinc/63/08/88/1202630888.db2.gz UDWUKNXVQWZNQF-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000236959202 1202637771 /nfs/dbraw/zinc/63/77/71/1202637771.db2.gz UBAAUFVNOYNFSU-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000237080064 1202644634 /nfs/dbraw/zinc/64/46/34/1202644634.db2.gz SAIQACITQARAHQ-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000237328433 1202670958 /nfs/dbraw/zinc/67/09/58/1202670958.db2.gz QSTZEVIRFIDQAA-OAHLLOKOSA-N 2 1 310.441 3.422 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1OC(F)F)C[NH+]1CCCCC1 ZINC000237383188 1202673055 /nfs/dbraw/zinc/67/30/55/1202673055.db2.gz NTOCADBHUDKXPU-AWEZNQCLSA-N 2 1 312.404 3.500 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OC(C)C ZINC000237463742 1202674786 /nfs/dbraw/zinc/67/47/86/1202674786.db2.gz WAZFYOUSCFWXFN-MRXNPFEDSA-N 2 1 318.461 3.056 20 0 DGADMP Cc1cn2c(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)c(C)nc2s1 ZINC000237887591 1202764972 /nfs/dbraw/zinc/76/49/72/1202764972.db2.gz OIGDYAGZYWTZSP-UHFFFAOYSA-N 2 1 320.506 3.365 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717196162 1203596807 /nfs/dbraw/zinc/59/68/07/1203596807.db2.gz XSMZGAFEEBEWBF-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC=C(C)C)[NH+](CC)CC ZINC001731541134 1204450909 /nfs/dbraw/zinc/45/09/09/1204450909.db2.gz PINSNNOKVHRPIZ-MSOLQXFVSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733809581 1205223015 /nfs/dbraw/zinc/22/30/15/1205223015.db2.gz NWZDJCKHAKMTFT-HJWRWDBZSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1N ZINC001164632591 719094194 /nfs/dbraw/zinc/09/41/94/719094194.db2.gz ZSNRWIHQDXLZBB-IEBWSBKVSA-N 2 1 322.456 3.073 20 0 DGADMP CCc1sc(C[N@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235466622 1099052063 /nfs/dbraw/zinc/05/20/63/1099052063.db2.gz QFYQSDGFTBYFBL-UHFFFAOYSA-N 2 1 317.296 3.257 20 0 DGADMP CCc1sc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235466622 1099052076 /nfs/dbraw/zinc/05/20/76/1099052076.db2.gz QFYQSDGFTBYFBL-UHFFFAOYSA-N 2 1 317.296 3.257 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC001246209087 1104438243 /nfs/dbraw/zinc/43/82/43/1104438243.db2.gz DHDAFTGYMQBJGN-LLVKDONJSA-N 2 1 315.230 3.208 20 0 DGADMP CC(C)C1(C)CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001169507285 1081578617 /nfs/dbraw/zinc/57/86/17/1081578617.db2.gz LSTRJIQQAYKWGX-LJQANCHMSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C1(C)CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001169507285 1081578626 /nfs/dbraw/zinc/57/86/26/1081578626.db2.gz LSTRJIQQAYKWGX-LJQANCHMSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC001169754876 1081648228 /nfs/dbraw/zinc/64/82/28/1081648228.db2.gz RHTFOWZEDSTTLI-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC001169754876 1081648230 /nfs/dbraw/zinc/64/82/30/1081648230.db2.gz RHTFOWZEDSTTLI-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC001169754876 1081648233 /nfs/dbraw/zinc/64/82/33/1081648233.db2.gz RHTFOWZEDSTTLI-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169811674 1081658772 /nfs/dbraw/zinc/65/87/72/1081658772.db2.gz WHKSIMFRVOIICL-VDZMMWBESA-N 2 1 323.525 3.092 20 0 DGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169811675 1081658907 /nfs/dbraw/zinc/65/89/07/1081658907.db2.gz WHKSIMFRVOIICL-ZGKJDNBHSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001648814816 1081927546 /nfs/dbraw/zinc/92/75/46/1081927546.db2.gz QGLJLIVOOHYMOD-HZPDHXFCSA-N 2 1 321.484 3.349 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC001648818888 1081931585 /nfs/dbraw/zinc/93/15/85/1081931585.db2.gz MHOJBPFZMUVIRM-UXHICEINSA-N 2 1 307.441 3.465 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)c1 ZINC001648818888 1081931587 /nfs/dbraw/zinc/93/15/87/1081931587.db2.gz MHOJBPFZMUVIRM-UXHICEINSA-N 2 1 307.441 3.465 20 0 DGADMP CCn1ccc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)n1 ZINC001648826414 1081935513 /nfs/dbraw/zinc/93/55/13/1081935513.db2.gz GDBCRAIDMCXDAK-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398015463 1082054152 /nfs/dbraw/zinc/05/41/52/1082054152.db2.gz GEBQWZMIYAXPTI-QFHJOOASSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398015463 1082054159 /nfs/dbraw/zinc/05/41/59/1082054159.db2.gz GEBQWZMIYAXPTI-QFHJOOASSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)C[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000072924366 1082065950 /nfs/dbraw/zinc/06/59/50/1082065950.db2.gz VBMHJIPXBJIRBQ-LJQANCHMSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001170110626 1082108125 /nfs/dbraw/zinc/10/81/25/1082108125.db2.gz ZUXNYCILWIKAIB-FFGOWVMKSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001170110632 1082108199 /nfs/dbraw/zinc/10/81/99/1082108199.db2.gz ZUXNYCILWIKAIB-VBSBHUPXSA-N 2 1 319.537 3.103 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170111173 1082109458 /nfs/dbraw/zinc/10/94/58/1082109458.db2.gz AYQAONUZVDNYCB-LPHOPBHVSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cc2[nH+]ccn2cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170454467 1082481007 /nfs/dbraw/zinc/48/10/07/1082481007.db2.gz STEPSYRYJCTKLB-UHFFFAOYSA-N 2 1 316.449 3.406 20 0 DGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626661 1082621437 /nfs/dbraw/zinc/62/14/37/1082621437.db2.gz DTAOESHUMNANFE-MJRGOJFPSA-N 2 1 323.525 3.092 20 0 DGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170530015 1082633686 /nfs/dbraw/zinc/63/36/86/1082633686.db2.gz SSDVGDLKRDCMNU-BRSBDYLESA-N 2 1 322.493 3.090 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537533 1082837181 /nfs/dbraw/zinc/83/71/81/1082837181.db2.gz KYKZMTNSHNLRSG-GOEBONIOSA-N 2 1 321.428 3.138 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000708537533 1082837189 /nfs/dbraw/zinc/83/71/89/1082837189.db2.gz KYKZMTNSHNLRSG-GOEBONIOSA-N 2 1 321.428 3.138 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132375698 1082894231 /nfs/dbraw/zinc/89/42/31/1082894231.db2.gz GIHCWZSWPOHBNP-ZWHYWQQASA-N 2 1 323.525 3.044 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309707633 1082897357 /nfs/dbraw/zinc/89/73/57/1082897357.db2.gz IGWYGZHMKATMJD-BPQIPLTHSA-N 2 1 304.503 3.240 20 0 DGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437937 1082909942 /nfs/dbraw/zinc/90/99/42/1082909942.db2.gz ZFHHQDKKKKWJME-XXCOWLKOSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441390 1082911846 /nfs/dbraw/zinc/91/18/46/1082911846.db2.gz OGNPAPKYIVLGQD-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441390 1082911850 /nfs/dbraw/zinc/91/18/50/1082911850.db2.gz OGNPAPKYIVLGQD-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441390 1082911854 /nfs/dbraw/zinc/91/18/54/1082911854.db2.gz OGNPAPKYIVLGQD-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517459 1082928313 /nfs/dbraw/zinc/92/83/13/1082928313.db2.gz CNXKTAVHZSYJTK-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001267501720 1082961557 /nfs/dbraw/zinc/96/15/57/1082961557.db2.gz XGMSUFJAEVRMAQ-SFHVURJKSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001267501720 1082961561 /nfs/dbraw/zinc/96/15/61/1082961561.db2.gz XGMSUFJAEVRMAQ-SFHVURJKSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001267501720 1082961565 /nfs/dbraw/zinc/96/15/65/1082961565.db2.gz XGMSUFJAEVRMAQ-SFHVURJKSA-N 2 1 323.525 3.042 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170665637 1083066439 /nfs/dbraw/zinc/06/64/39/1083066439.db2.gz AMMNLVXULYMDRW-LUKYLMHMSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170665637 1083066442 /nfs/dbraw/zinc/06/64/42/1083066442.db2.gz AMMNLVXULYMDRW-LUKYLMHMSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034647 1083609523 /nfs/dbraw/zinc/60/95/23/1083609523.db2.gz VDRDHHOGBGNXMJ-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034647 1083609529 /nfs/dbraw/zinc/60/95/29/1083609529.db2.gz VDRDHHOGBGNXMJ-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034647 1083609533 /nfs/dbraw/zinc/60/95/33/1083609533.db2.gz VDRDHHOGBGNXMJ-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034647 1083609537 /nfs/dbraw/zinc/60/95/37/1083609537.db2.gz VDRDHHOGBGNXMJ-GOSISDBHSA-N 2 1 324.415 3.248 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc(F)c(F)c1 ZINC001204335761 1083696335 /nfs/dbraw/zinc/69/63/35/1083696335.db2.gz VRJVZZYYVFVLAE-CVEARBPZSA-N 2 1 308.416 3.456 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC001183065548 1083870651 /nfs/dbraw/zinc/87/06/51/1083870651.db2.gz LWTDCXUOPMZOEK-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC001183065548 1083870654 /nfs/dbraw/zinc/87/06/54/1083870654.db2.gz LWTDCXUOPMZOEK-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001167824029 1084109657 /nfs/dbraw/zinc/10/96/57/1084109657.db2.gz BBAVPMQXSZKRRW-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001167827007 1084120244 /nfs/dbraw/zinc/12/02/44/1084120244.db2.gz SZSCXZBSBCCBOL-GDBMZVCRSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001167827007 1084120250 /nfs/dbraw/zinc/12/02/50/1084120250.db2.gz SZSCXZBSBCCBOL-GDBMZVCRSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001167834187 1084147754 /nfs/dbraw/zinc/14/77/54/1084147754.db2.gz ITZJHTYDHQFNMG-KRWDZBQOSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001167838442 1084161305 /nfs/dbraw/zinc/16/13/05/1084161305.db2.gz UQTUEFORVIZVQB-QGZVFWFLSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001167838442 1084161311 /nfs/dbraw/zinc/16/13/11/1084161311.db2.gz UQTUEFORVIZVQB-QGZVFWFLSA-N 2 1 320.477 3.172 20 0 DGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184386957 1084168178 /nfs/dbraw/zinc/16/81/78/1084168178.db2.gz FIVDVUIMRVRJAV-QSPRXWTASA-N 2 1 304.503 3.269 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001167840327 1084169301 /nfs/dbraw/zinc/16/93/01/1084169301.db2.gz FBPNTKMIWXQVQZ-OAHLLOKOSA-N 2 1 318.461 3.299 20 0 DGADMP CCc1nc(NCC2(c3ccccc3)CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001187189727 1084767296 /nfs/dbraw/zinc/76/72/96/1084767296.db2.gz HBAQQDYLTKHDGE-UHFFFAOYSA-N 2 1 324.472 3.423 20 0 DGADMP OC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167963688 1085818489 /nfs/dbraw/zinc/81/84/89/1085818489.db2.gz BCZUGVXINGKNMM-AYHJJNSGSA-N 2 1 306.494 3.067 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963775 1085821100 /nfs/dbraw/zinc/82/11/00/1085821100.db2.gz DEKPSGGIHPUNNW-VOBGVNJCSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963775 1085821106 /nfs/dbraw/zinc/82/11/06/1085821106.db2.gz DEKPSGGIHPUNNW-VOBGVNJCSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963775 1085821112 /nfs/dbraw/zinc/82/11/12/1085821112.db2.gz DEKPSGGIHPUNNW-VOBGVNJCSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963775 1085821119 /nfs/dbraw/zinc/82/11/19/1085821119.db2.gz DEKPSGGIHPUNNW-VOBGVNJCSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167963775 1085821125 /nfs/dbraw/zinc/82/11/25/1085821125.db2.gz DEKPSGGIHPUNNW-VOBGVNJCSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963775 1085821132 /nfs/dbraw/zinc/82/11/32/1085821132.db2.gz DEKPSGGIHPUNNW-VOBGVNJCSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963775 1085821135 /nfs/dbraw/zinc/82/11/35/1085821135.db2.gz DEKPSGGIHPUNNW-VOBGVNJCSA-N 3 1 319.537 3.246 20 0 DGADMP CCOC(=O)CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967087 1085888109 /nfs/dbraw/zinc/88/81/09/1085888109.db2.gz AYGPTMYSDVIOPA-AYHJJNSGSA-N 2 1 322.493 3.105 20 0 DGADMP COCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167974829 1085918336 /nfs/dbraw/zinc/91/83/36/1085918336.db2.gz AYUQSMRFCHITQL-IHWFROFDSA-N 2 1 314.473 3.328 20 0 DGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2nccnc2c1 ZINC001167981542 1085932087 /nfs/dbraw/zinc/93/20/87/1085932087.db2.gz ABWVRAZZAWEYNU-AYHJJNSGSA-N 2 1 322.456 3.125 20 0 DGADMP Oc1cccc2c1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167984232 1085946802 /nfs/dbraw/zinc/94/68/02/1085946802.db2.gz LTNWFKYCZGTIKV-JWTNVVGKSA-N 2 1 312.457 3.156 20 0 DGADMP Oc1cccc2c1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167984232 1085946815 /nfs/dbraw/zinc/94/68/15/1085946815.db2.gz LTNWFKYCZGTIKV-JWTNVVGKSA-N 2 1 312.457 3.156 20 0 DGADMP Oc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167984232 1085946823 /nfs/dbraw/zinc/94/68/23/1085946823.db2.gz LTNWFKYCZGTIKV-JWTNVVGKSA-N 2 1 312.457 3.156 20 0 DGADMP Oc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167984232 1085946835 /nfs/dbraw/zinc/94/68/35/1085946835.db2.gz LTNWFKYCZGTIKV-JWTNVVGKSA-N 2 1 312.457 3.156 20 0 DGADMP CC(C)OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996018 1086067332 /nfs/dbraw/zinc/06/73/32/1086067332.db2.gz VDHLXSNGTPLOPF-JWTNVVGKSA-N 2 1 306.494 3.281 20 0 DGADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006993 1086159119 /nfs/dbraw/zinc/15/91/19/1086159119.db2.gz QDRJGDVHILMFJU-LMCLKVLCSA-N 2 1 302.462 3.195 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029435 1086450299 /nfs/dbraw/zinc/45/02/99/1086450299.db2.gz SMBPPGXFXRJEAJ-HNJRGHQBSA-N 2 1 318.505 3.425 20 0 DGADMP COCC1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039382 1086497698 /nfs/dbraw/zinc/49/76/98/1086497698.db2.gz DQPAONYBIVCWOO-HGKCTWBKSA-N 2 1 302.462 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H]2CO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040512 1086502489 /nfs/dbraw/zinc/50/24/89/1086502489.db2.gz NWDRMILRNIPQMM-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H]2CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040512 1086502495 /nfs/dbraw/zinc/50/24/95/1086502495.db2.gz NWDRMILRNIPQMM-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040512 1086502503 /nfs/dbraw/zinc/50/25/03/1086502503.db2.gz NWDRMILRNIPQMM-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040512 1086502508 /nfs/dbraw/zinc/50/25/08/1086502508.db2.gz NWDRMILRNIPQMM-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041069 1086504302 /nfs/dbraw/zinc/50/43/02/1086504302.db2.gz QRHKULNQFDQVPF-HNJRGHQBSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168042040 1086512082 /nfs/dbraw/zinc/51/20/82/1086512082.db2.gz YEHMLKQKPXOLBM-XLSPSMHOSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168042040 1086512086 /nfs/dbraw/zinc/51/20/86/1086512086.db2.gz YEHMLKQKPXOLBM-XLSPSMHOSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC001168063144 1086647177 /nfs/dbraw/zinc/64/71/77/1086647177.db2.gz MEVSMEKLDBKWPH-AJYBTWMASA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063144 1086647180 /nfs/dbraw/zinc/64/71/80/1086647180.db2.gz MEVSMEKLDBKWPH-AJYBTWMASA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063144 1086647181 /nfs/dbraw/zinc/64/71/81/1086647181.db2.gz MEVSMEKLDBKWPH-AJYBTWMASA-N 2 1 315.505 3.064 20 0 DGADMP COC[C@@H]1CC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168063641 1086649112 /nfs/dbraw/zinc/64/91/12/1086649112.db2.gz DCOAKAKRQPPIDP-NUJGCVRESA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@@H]1CC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168063641 1086649113 /nfs/dbraw/zinc/64/91/13/1086649113.db2.gz DCOAKAKRQPPIDP-NUJGCVRESA-N 2 1 302.462 3.149 20 0 DGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326889 1086795885 /nfs/dbraw/zinc/79/58/85/1086795885.db2.gz AJBKZFJNJAEKLH-ROUUACIJSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094023 1086858688 /nfs/dbraw/zinc/85/86/88/1086858688.db2.gz RFCPYFHMGSLLAF-QZHFEQFPSA-N 2 1 320.452 3.465 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001168128550 1086956725 /nfs/dbraw/zinc/95/67/25/1086956725.db2.gz RKBPYCIPTHLODA-LPHOPBHVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001168128548 1086956782 /nfs/dbraw/zinc/95/67/82/1086956782.db2.gz RKBPYCIPTHLODA-APWZRJJASA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144009 1086984561 /nfs/dbraw/zinc/98/45/61/1086984561.db2.gz STQJGLGQYCOBKQ-KXBFYZLASA-N 2 1 320.452 3.289 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001168144009 1086984564 /nfs/dbraw/zinc/98/45/64/1086984564.db2.gz STQJGLGQYCOBKQ-KXBFYZLASA-N 2 1 320.452 3.289 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001168260760 1087078077 /nfs/dbraw/zinc/07/80/77/1087078077.db2.gz PSJHRNNHKGPQSC-YJBOKZPZSA-N 2 1 302.462 3.003 20 0 DGADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324054 1087294090 /nfs/dbraw/zinc/29/40/90/1087294090.db2.gz HZBONGUOURSWFH-KKXNLOMOSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1cccc(O[C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168330980 1087297509 /nfs/dbraw/zinc/29/75/09/1087297509.db2.gz WILHYPGFHCVRBY-ABHNRTSZSA-N 2 1 317.477 3.106 20 0 DGADMP c1ccc(N2CCCC2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353823 1087305976 /nfs/dbraw/zinc/30/59/76/1087305976.db2.gz VYHNVXAIYLHTOG-UHFFFAOYSA-N 2 1 313.489 3.251 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC001168363325 1087379318 /nfs/dbraw/zinc/37/93/18/1087379318.db2.gz XUWJIZIULZXMRK-UHFFFAOYSA-N 3 1 307.526 3.102 20 0 DGADMP COc1ccccc1C(C)(C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168366381 1087401857 /nfs/dbraw/zinc/40/18/57/1087401857.db2.gz RBYHZAUWGBOXJR-UHFFFAOYSA-N 2 1 302.462 3.394 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373423 1087473529 /nfs/dbraw/zinc/47/35/29/1087473529.db2.gz RPPJKGDGOSSXLY-CQSZACIVSA-N 2 1 308.363 3.085 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373423 1087473532 /nfs/dbraw/zinc/47/35/32/1087473532.db2.gz RPPJKGDGOSSXLY-CQSZACIVSA-N 2 1 308.363 3.085 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168389430 1087548442 /nfs/dbraw/zinc/54/84/42/1087548442.db2.gz PXGWNOVIVXOZDN-KRWDZBQOSA-N 2 1 322.493 3.057 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168389431 1087548474 /nfs/dbraw/zinc/54/84/74/1087548474.db2.gz PXGWNOVIVXOZDN-QGZVFWFLSA-N 2 1 322.493 3.057 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168389428 1087548579 /nfs/dbraw/zinc/54/85/79/1087548579.db2.gz PUPOVOYKZINDIW-LJQANCHMSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168389428 1087548583 /nfs/dbraw/zinc/54/85/83/1087548583.db2.gz PUPOVOYKZINDIW-LJQANCHMSA-N 2 1 318.436 3.153 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168391691 1087550050 /nfs/dbraw/zinc/55/00/50/1087550050.db2.gz NEKVJJNVJWQTPG-FQEVSTJZSA-N 2 1 314.473 3.404 20 0 DGADMP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445845 1087762521 /nfs/dbraw/zinc/76/25/21/1087762521.db2.gz MNOOUJPQTRIRGX-LJQANCHMSA-N 2 1 302.437 3.242 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445845 1087762534 /nfs/dbraw/zinc/76/25/34/1087762534.db2.gz MNOOUJPQTRIRGX-LJQANCHMSA-N 2 1 302.437 3.242 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205094226 1087783383 /nfs/dbraw/zinc/78/33/83/1087783383.db2.gz KNODEALXXXLZAG-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2ccc([C@H](C)[NH3+])n2)nc1 ZINC001158354594 1087788416 /nfs/dbraw/zinc/78/84/16/1087788416.db2.gz BVBLRCKSFQBOLR-YOEHRIQHSA-N 2 1 313.449 3.224 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)n21 ZINC001206647667 1088280671 /nfs/dbraw/zinc/28/06/71/1088280671.db2.gz JADZINQTVYHUDH-CQSZACIVSA-N 2 1 318.490 3.007 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)n21 ZINC001206647667 1088280688 /nfs/dbraw/zinc/28/06/88/1088280688.db2.gz JADZINQTVYHUDH-CQSZACIVSA-N 2 1 318.490 3.007 20 0 DGADMP C[C@H]1CNCC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001235718997 1088386271 /nfs/dbraw/zinc/38/62/71/1088386271.db2.gz PXHJYHBZAAKAAA-SMDDNHRTSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001235718997 1088386278 /nfs/dbraw/zinc/38/62/78/1088386278.db2.gz PXHJYHBZAAKAAA-SMDDNHRTSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001235718997 1088386291 /nfs/dbraw/zinc/38/62/91/1088386291.db2.gz PXHJYHBZAAKAAA-SMDDNHRTSA-N 2 1 302.796 3.263 20 0 DGADMP c1cc(Nc2cccc3cc[nH+]cc32)cc(N2CC[NH2+]CC2)c1 ZINC001159564028 1088395013 /nfs/dbraw/zinc/39/50/13/1088395013.db2.gz QSPBOMITHNUQPM-UHFFFAOYSA-N 2 1 304.397 3.388 20 0 DGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033481 1088447740 /nfs/dbraw/zinc/44/77/40/1088447740.db2.gz AIGLWSFILOXAOJ-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033481 1088447750 /nfs/dbraw/zinc/44/77/50/1088447750.db2.gz AIGLWSFILOXAOJ-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033481 1088447755 /nfs/dbraw/zinc/44/77/55/1088447755.db2.gz AIGLWSFILOXAOJ-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)ccc(OC)c2Cl)CC1 ZINC001236213868 1088707978 /nfs/dbraw/zinc/70/79/78/1088707978.db2.gz XSWQRINFCZWBHK-UHFFFAOYSA-N 2 1 314.832 3.450 20 0 DGADMP FC(F)(F)Sc1cccc(C[NH+]2CCC[NH2+]CCC2)c1 ZINC001236238771 1088735821 /nfs/dbraw/zinc/73/58/21/1088735821.db2.gz BCBQTUJQLHQJSW-UHFFFAOYSA-N 2 1 304.381 3.484 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484044664 1089122522 /nfs/dbraw/zinc/12/25/22/1089122522.db2.gz URKORVXWJAGARC-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484044664 1089122527 /nfs/dbraw/zinc/12/25/27/1089122527.db2.gz URKORVXWJAGARC-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCC ZINC001155877793 1089284233 /nfs/dbraw/zinc/28/42/33/1089284233.db2.gz KGTLSOKVMONFBX-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001155877793 1089284239 /nfs/dbraw/zinc/28/42/39/1089284239.db2.gz KGTLSOKVMONFBX-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCCC ZINC001155877793 1089284252 /nfs/dbraw/zinc/28/42/52/1089284252.db2.gz KGTLSOKVMONFBX-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(CCC[NH3+])C(C)C)nc1 ZINC001156124697 1089396781 /nfs/dbraw/zinc/39/67/81/1089396781.db2.gz RJPPCDGMGNFWON-KRWDZBQOSA-N 2 1 304.482 3.192 20 0 DGADMP Cc1cnc(NCc2ccc(CN3CCOCC3)cc2)cc1C ZINC001156393930 1089502829 /nfs/dbraw/zinc/50/28/29/1089502829.db2.gz DLTSKIZVQIGJQE-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP CC(C)[NH+]1CCC(CNc2ccc(C[N@@H+](C)C3CC3)cn2)CC1 ZINC001156502128 1089554004 /nfs/dbraw/zinc/55/40/04/1089554004.db2.gz ITOWRCGYPOORKG-UHFFFAOYSA-N 2 1 316.493 3.208 20 0 DGADMP Cc1c[nH+]c(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001162198010 1089604379 /nfs/dbraw/zinc/60/43/79/1089604379.db2.gz ZNNZUWZETJWQNX-IYARVYRRSA-N 2 1 310.445 3.370 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(Cl)nc2c1CC[NH2+]C2 ZINC001156929773 1089754918 /nfs/dbraw/zinc/75/49/18/1089754918.db2.gz ZETGCXBHFOVICZ-ZDUSSCGKSA-N 2 1 322.884 3.057 20 0 DGADMP CC[C@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[NH+](CC)CC ZINC001157439008 1089967383 /nfs/dbraw/zinc/96/73/83/1089967383.db2.gz RSBZNMWSVLVTEN-MRXNPFEDSA-N 2 1 318.465 3.131 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(N3C[C@@H]([NH3+])Cc4ccccc43)cc2)C1 ZINC001162854244 1089992266 /nfs/dbraw/zinc/99/22/66/1089992266.db2.gz NOVFGFGBQFOVRW-ROUUACIJSA-N 2 1 307.441 3.127 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162965930 1090038374 /nfs/dbraw/zinc/03/83/74/1090038374.db2.gz CEAATGFLHCIYPT-INIZCTEOSA-N 2 1 317.477 3.340 20 0 DGADMP Cc1ccc2c(c1)[C@H](Nc1ccc(N)[nH+]c1)CC21CC[NH2+]CC1 ZINC001163034394 1090056931 /nfs/dbraw/zinc/05/69/31/1090056931.db2.gz QFTTXNVGDBXMQY-QGZVFWFLSA-N 2 1 308.429 3.150 20 0 DGADMP CCC[NH+]1C[C@H]2CN(c3cc(OC)c4ccccc4[nH+]3)C[C@@H]2C1 ZINC001157692773 1090077468 /nfs/dbraw/zinc/07/74/68/1090077468.db2.gz SLZOIBVBKVGSNA-GJZGRUSLSA-N 2 1 311.429 3.021 20 0 DGADMP Cc1c[nH+]c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001163270192 1090135841 /nfs/dbraw/zinc/13/58/41/1090135841.db2.gz NEIYIFKECOOWLS-BEFAXECRSA-N 2 1 311.429 3.114 20 0 DGADMP CC/C=C/CC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274760 1090137044 /nfs/dbraw/zinc/13/70/44/1090137044.db2.gz FUVUSBOWMHBQIQ-SNAWJCMRSA-N 2 1 323.525 3.093 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NCC2([NH3+])CCC2)nc1 ZINC001163328511 1090152777 /nfs/dbraw/zinc/15/27/77/1090152777.db2.gz SBMUDAJAJPICAO-MRXNPFEDSA-N 2 1 302.466 3.312 20 0 DGADMP Nc1ccc[nH+]c1N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158146878 1090191021 /nfs/dbraw/zinc/19/10/21/1090191021.db2.gz AQELKAWNAPUIKZ-SHTZXODSSA-N 2 1 314.408 3.079 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[NH2+][C@@H](C)C2)nc1 ZINC001158186225 1090198056 /nfs/dbraw/zinc/19/80/56/1090198056.db2.gz PQWSZMSRMKWZOE-XYJFISCASA-N 2 1 316.493 3.205 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)CC1 ZINC001237948237 1090330546 /nfs/dbraw/zinc/33/05/46/1090330546.db2.gz YRRDHEYMXPDOMV-UHFFFAOYSA-N 2 1 319.396 3.080 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)CC1 ZINC001237948237 1090330552 /nfs/dbraw/zinc/33/05/52/1090330552.db2.gz YRRDHEYMXPDOMV-UHFFFAOYSA-N 2 1 319.396 3.080 20 0 DGADMP CC(C)N(CCC[NH3+])c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001164121265 1090348280 /nfs/dbraw/zinc/34/82/80/1090348280.db2.gz ITMCYRTVKLTBDE-MRXNPFEDSA-N 2 1 304.482 3.020 20 0 DGADMP C[NH+](C)C1(CNc2cncc(-c3ccccc3)c2)CC[NH+](C)CC1 ZINC001164213559 1090373767 /nfs/dbraw/zinc/37/37/67/1090373767.db2.gz WGLSNQYDZIGFKH-UHFFFAOYSA-N 2 1 324.472 3.187 20 0 DGADMP CCOc1ccnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165084128 1090462138 /nfs/dbraw/zinc/46/21/38/1090462138.db2.gz JLOWYDSLXAOUIH-IEBWSBKVSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165084128 1090462141 /nfs/dbraw/zinc/46/21/41/1090462141.db2.gz JLOWYDSLXAOUIH-IEBWSBKVSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165084128 1090462144 /nfs/dbraw/zinc/46/21/44/1090462144.db2.gz JLOWYDSLXAOUIH-IEBWSBKVSA-N 2 1 323.440 3.191 20 0 DGADMP c1cc2c(cc[nH+]c2N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH]1 ZINC001165082093 1090462191 /nfs/dbraw/zinc/46/21/91/1090462191.db2.gz AZYQURHPXRHWAM-QFBILLFUSA-N 2 1 318.424 3.274 20 0 DGADMP c1cc2c(cc[nH+]c2N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH]1 ZINC001165082095 1090462231 /nfs/dbraw/zinc/46/22/31/1090462231.db2.gz AZYQURHPXRHWAM-VQIMIIECSA-N 2 1 318.424 3.274 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(C)CC[NH+]2CCCC2)nc1 ZINC001165142136 1090471551 /nfs/dbraw/zinc/47/15/51/1090471551.db2.gz WLKBTCFQAAHWNX-SFHVURJKSA-N 2 1 316.493 3.161 20 0 DGADMP COc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001165238662 1090486110 /nfs/dbraw/zinc/48/61/10/1090486110.db2.gz FMEDBXHRGGOJQO-IBGZPJMESA-N 2 1 311.429 3.132 20 0 DGADMP C[N@H+]1CCC[C@H](CCNc2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001165261451 1090492527 /nfs/dbraw/zinc/49/25/27/1090492527.db2.gz QTFWVWHFGDKAMK-MRXNPFEDSA-N 2 1 302.466 3.216 20 0 DGADMP C[NH+]1CCCC[C@@H]1c1ccc(NCC[C@H]2CCC[N@H+](C)C2)nc1 ZINC001165272954 1090494171 /nfs/dbraw/zinc/49/41/71/1090494171.db2.gz NIEFDJYRUXZRPP-SJLPKXTDSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@H](CCNc2ccc([C@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001165272954 1090494172 /nfs/dbraw/zinc/49/41/72/1090494172.db2.gz NIEFDJYRUXZRPP-SJLPKXTDSA-N 2 1 316.493 3.382 20 0 DGADMP C[NH+]1CCC[C@H](CCNc2ccc([C@H]3CCCC[N@H+]3C)cn2)C1 ZINC001165272954 1090494174 /nfs/dbraw/zinc/49/41/74/1090494174.db2.gz NIEFDJYRUXZRPP-SJLPKXTDSA-N 2 1 316.493 3.382 20 0 DGADMP Nc1[nH]c(C[NH+]2CCC(Cc3cccc(Cl)c3)CC2)c[nH+]1 ZINC001206711809 1090589320 /nfs/dbraw/zinc/58/93/20/1090589320.db2.gz ONIZOVSQQRIJMV-UHFFFAOYSA-N 2 1 304.825 3.100 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H](C)C3)CC2)oc1C ZINC001649090663 1090594273 /nfs/dbraw/zinc/59/42/73/1090594273.db2.gz JHBAVHDPTFARPJ-DYVFJYSZSA-N 2 1 305.466 3.282 20 0 DGADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C)C3CCC([NH3+])CC3)CCO2)cc1 ZINC001168594374 1090594664 /nfs/dbraw/zinc/59/46/64/1090594664.db2.gz GTRLCRYFHZRTQW-AKSNENBUSA-N 2 1 318.461 3.117 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001168594908 1090594679 /nfs/dbraw/zinc/59/46/79/1090594679.db2.gz DLXNNVHXJJIQDZ-UHFFFAOYSA-N 2 1 323.525 3.095 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206718280 1090657260 /nfs/dbraw/zinc/65/72/60/1090657260.db2.gz NWVVDGLJGZDAGR-QGZVFWFLSA-N 2 1 322.880 3.417 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203309371 1090718365 /nfs/dbraw/zinc/71/83/65/1090718365.db2.gz SUSQFXNTMHTWAT-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203309371 1090718371 /nfs/dbraw/zinc/71/83/71/1090718371.db2.gz SUSQFXNTMHTWAT-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203309371 1090718377 /nfs/dbraw/zinc/71/83/77/1090718377.db2.gz SUSQFXNTMHTWAT-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203309371 1090718381 /nfs/dbraw/zinc/71/83/81/1090718381.db2.gz SUSQFXNTMHTWAT-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001486188707 1090783267 /nfs/dbraw/zinc/78/32/67/1090783267.db2.gz XVFYVIIMCPKBRV-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(C)c3C)C[C@@H]2C1 ZINC001203727765 1090790165 /nfs/dbraw/zinc/79/01/65/1090790165.db2.gz XYCIOFAWTWBHSA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(C)c3C)C[C@@H]2C1 ZINC001203727765 1090790171 /nfs/dbraw/zinc/79/01/71/1090790171.db2.gz XYCIOFAWTWBHSA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)c(C)c3C)C[C@@H]2C1 ZINC001203727765 1090790178 /nfs/dbraw/zinc/79/01/78/1090790178.db2.gz XYCIOFAWTWBHSA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)c(C)c3C)C[C@@H]2C1 ZINC001203727765 1090790184 /nfs/dbraw/zinc/79/01/84/1090790184.db2.gz XYCIOFAWTWBHSA-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccsc2)CC1 ZINC001204045404 1090881924 /nfs/dbraw/zinc/88/19/24/1090881924.db2.gz RCQZCLVWLIMQKL-UHFFFAOYSA-N 2 1 323.550 3.378 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)s2)o1 ZINC001204088910 1090897777 /nfs/dbraw/zinc/89/77/77/1090897777.db2.gz IMFMBHDXWHDWME-AEGPPILISA-N 2 1 317.458 3.141 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)s2)o1 ZINC001204088910 1090897789 /nfs/dbraw/zinc/89/77/89/1090897789.db2.gz IMFMBHDXWHDWME-AEGPPILISA-N 2 1 317.458 3.141 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1O ZINC001204116051 1090904049 /nfs/dbraw/zinc/90/40/49/1090904049.db2.gz LHANDGXMHQAUCJ-QGZVFWFLSA-N 2 1 318.461 3.241 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1O ZINC001204116051 1090904053 /nfs/dbraw/zinc/90/40/53/1090904053.db2.gz LHANDGXMHQAUCJ-QGZVFWFLSA-N 2 1 318.461 3.241 20 0 DGADMP CSc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001204140823 1090908630 /nfs/dbraw/zinc/90/86/30/1090908630.db2.gz GLQBZJIZNKJFEG-UHFFFAOYSA-N 2 1 319.474 3.039 20 0 DGADMP C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204263135 1090936517 /nfs/dbraw/zinc/93/65/17/1090936517.db2.gz HAWXGWXGNQPKAZ-RDJZCZTQSA-N 2 1 308.441 3.197 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC001204269227 1090936826 /nfs/dbraw/zinc/93/68/26/1090936826.db2.gz XRXBOYRHPHBNRN-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(OC(C)C)cc3)C[C@H]2C1 ZINC001204457481 1090973972 /nfs/dbraw/zinc/97/39/72/1090973972.db2.gz HHVNJGSOIDZYFA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)cc3)C[C@@H]2C1 ZINC001204457481 1090973975 /nfs/dbraw/zinc/97/39/75/1090973975.db2.gz HHVNJGSOIDZYFA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)cc3)C[C@@H]2C1 ZINC001204457481 1090973977 /nfs/dbraw/zinc/97/39/77/1090973977.db2.gz HHVNJGSOIDZYFA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(C)C)cc3)C[C@@H]2C1 ZINC001204457481 1090973980 /nfs/dbraw/zinc/97/39/80/1090973980.db2.gz HHVNJGSOIDZYFA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(C)C)cc3)C[C@@H]2C1 ZINC001204457481 1090973982 /nfs/dbraw/zinc/97/39/82/1090973982.db2.gz HHVNJGSOIDZYFA-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP COc1cc(Cl)c(C[NH+]2CCC(C[NH3+])CC2)c(Cl)c1 ZINC001205047101 1090978943 /nfs/dbraw/zinc/97/89/43/1090978943.db2.gz OWUPETVOQBOLSY-UHFFFAOYSA-N 2 1 303.233 3.173 20 0 DGADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1ccccc1 ZINC001204604658 1091006341 /nfs/dbraw/zinc/00/63/41/1091006341.db2.gz UHQACXZJUFAOBL-UHFFFAOYSA-N 2 1 305.425 3.377 20 0 DGADMP c1c(C[NH+](C2CCCCC2)C2CCCCC2)nc2n1CC[NH2+]C2 ZINC001204611590 1091006941 /nfs/dbraw/zinc/00/69/41/1091006941.db2.gz WBRJQSGNXUKNDU-UHFFFAOYSA-N 2 1 316.493 3.454 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3Cc4cccc(Cl)c4C3)C2)CC1 ZINC001168738297 1091029636 /nfs/dbraw/zinc/02/96/36/1091029636.db2.gz JVMPOTWUFLBKQH-OAHLLOKOSA-N 2 1 304.865 3.225 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CCO1 ZINC001204757210 1091031877 /nfs/dbraw/zinc/03/18/77/1091031877.db2.gz WNOFMZBGPLZDLA-SFHVURJKSA-N 2 1 314.404 3.042 20 0 DGADMP c1cc2n(c1)CC[N@H+](CCC1CC[NH2+]CC1)[C@H]2c1ccccc1 ZINC001204877396 1091052520 /nfs/dbraw/zinc/05/25/20/1091052520.db2.gz IKOAMBXPXNSEIC-FQEVSTJZSA-N 2 1 309.457 3.283 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904487 1091059381 /nfs/dbraw/zinc/05/93/81/1091059381.db2.gz RCNRDOHYOUUQSG-IAGOWNOFSA-N 2 1 306.494 3.077 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001204904487 1091059387 /nfs/dbraw/zinc/05/93/87/1091059387.db2.gz RCNRDOHYOUUQSG-IAGOWNOFSA-N 2 1 306.494 3.077 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001205009630 1091083075 /nfs/dbraw/zinc/08/30/75/1091083075.db2.gz ZNBRKFMIHXBDLL-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001205009630 1091083082 /nfs/dbraw/zinc/08/30/82/1091083082.db2.gz ZNBRKFMIHXBDLL-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP Cc1c(F)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205041216 1091089294 /nfs/dbraw/zinc/08/92/94/1091089294.db2.gz QJZLREQZTBUTOG-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)c(F)cc1Br ZINC001205046653 1091090051 /nfs/dbraw/zinc/09/00/51/1091090051.db2.gz HDWFKJRGAPQRGH-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001205102396 1091103085 /nfs/dbraw/zinc/10/30/85/1091103085.db2.gz RHGJENJJBONARK-CQSZACIVSA-N 2 1 305.422 3.262 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109146 1091104335 /nfs/dbraw/zinc/10/43/35/1091104335.db2.gz BLUYHXNSOKXJEV-CYBMUJFWSA-N 2 1 302.340 3.207 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC001205110629 1091105536 /nfs/dbraw/zinc/10/55/36/1091105536.db2.gz XGXWCHFWAKQZAB-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP COc1cc(OC)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c2ccccc12 ZINC001205130586 1091108881 /nfs/dbraw/zinc/10/88/81/1091108881.db2.gz KAPUSSRGHLRMLE-AWEZNQCLSA-N 2 1 314.429 3.170 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(OC(C)C)c1 ZINC001205156452 1091114355 /nfs/dbraw/zinc/11/43/55/1091114355.db2.gz XCVIJWWMAURXIS-DOTOQJQBSA-N 2 1 320.477 3.288 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001205221734 1091137641 /nfs/dbraw/zinc/13/76/41/1091137641.db2.gz XITKOUMFMPSFIZ-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP C[C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001205296301 1091168812 /nfs/dbraw/zinc/16/88/12/1091168812.db2.gz LGAAHIDWRVOFFI-VXGBXAGGSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001205296301 1091168817 /nfs/dbraw/zinc/16/88/17/1091168817.db2.gz LGAAHIDWRVOFFI-VXGBXAGGSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC001205296300 1091168987 /nfs/dbraw/zinc/16/89/87/1091168987.db2.gz LGAAHIDWRVOFFI-RYUDHWBXSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC001205296300 1091168993 /nfs/dbraw/zinc/16/89/93/1091168993.db2.gz LGAAHIDWRVOFFI-RYUDHWBXSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)C[C@@H]1C[NH3+] ZINC001205303453 1091173468 /nfs/dbraw/zinc/17/34/68/1091173468.db2.gz FVKSFBXKXQZIMT-CJNGLKHVSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)C[C@@H]1C[NH3+] ZINC001205303793 1091174972 /nfs/dbraw/zinc/17/49/72/1091174972.db2.gz KICAVYKZRZDDLA-JSGCOSHPSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205303667 1091175432 /nfs/dbraw/zinc/17/54/32/1091175432.db2.gz JHTJCRDSURANLI-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205303667 1091175436 /nfs/dbraw/zinc/17/54/36/1091175436.db2.gz JHTJCRDSURANLI-JQWIXIFHSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C[C@H]1C[NH3+] ZINC001205315803 1091180921 /nfs/dbraw/zinc/18/09/21/1091180921.db2.gz HESKZJDCLNIDQE-SWLSCSKDSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)C[C@@H]1C[NH3+] ZINC001205314393 1091181097 /nfs/dbraw/zinc/18/10/97/1091181097.db2.gz BKUMLSIOEBZECL-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)C[C@@H]1C[NH3+] ZINC001205314393 1091181102 /nfs/dbraw/zinc/18/11/02/1091181102.db2.gz BKUMLSIOEBZECL-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC)c(C)c3)C[C@@H]2C1 ZINC001138430314 1091181998 /nfs/dbraw/zinc/18/19/98/1091181998.db2.gz WTPPECWNNDNLGE-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC)c(C)c3)C[C@@H]2C1 ZINC001138430314 1091182005 /nfs/dbraw/zinc/18/20/05/1091182005.db2.gz WTPPECWNNDNLGE-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(OC)c(C)c3)C[C@@H]2C1 ZINC001138430314 1091182012 /nfs/dbraw/zinc/18/20/12/1091182012.db2.gz WTPPECWNNDNLGE-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(OC)c(C)c3)C[C@@H]2C1 ZINC001138430314 1091182017 /nfs/dbraw/zinc/18/20/17/1091182017.db2.gz WTPPECWNNDNLGE-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)C[C@H]1C[NH3+] ZINC001205316844 1091182326 /nfs/dbraw/zinc/18/23/26/1091182326.db2.gz LLFJMOINEHVKEL-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)C[C@H]1C[NH3+] ZINC001205316844 1091182328 /nfs/dbraw/zinc/18/23/28/1091182328.db2.gz LLFJMOINEHVKEL-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001205326451 1091187158 /nfs/dbraw/zinc/18/71/58/1091187158.db2.gz ZLUKQZWCEYDZQN-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@@H+](C)C[C@@H]1CNCCO1 ZINC001205376968 1091204997 /nfs/dbraw/zinc/20/49/97/1091204997.db2.gz PTAAUJYRBXDMGN-SFHVURJKSA-N 2 1 310.441 3.082 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001138543624 1091222266 /nfs/dbraw/zinc/22/22/66/1091222266.db2.gz RRUUWYLRTJRHNF-MJGOQNOKSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001138543624 1091222276 /nfs/dbraw/zinc/22/22/76/1091222276.db2.gz RRUUWYLRTJRHNF-MJGOQNOKSA-N 2 1 311.429 3.182 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550325 1091224977 /nfs/dbraw/zinc/22/49/77/1091224977.db2.gz PMMZFNXEVOLXLU-DFNIBXOVSA-N 2 1 311.429 3.323 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550325 1091224986 /nfs/dbraw/zinc/22/49/86/1091224986.db2.gz PMMZFNXEVOLXLU-DFNIBXOVSA-N 2 1 311.429 3.323 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC001138547781 1091226349 /nfs/dbraw/zinc/22/63/49/1091226349.db2.gz VEEZCUINVPLQDK-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC001138547781 1091226357 /nfs/dbraw/zinc/22/63/57/1091226357.db2.gz VEEZCUINVPLQDK-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205546468 1091250487 /nfs/dbraw/zinc/25/04/87/1091250487.db2.gz VWIHXCNIOVHCFH-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001205558121 1091251677 /nfs/dbraw/zinc/25/16/77/1091251677.db2.gz BYGIQIBVWXRHHY-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001205558854 1091253547 /nfs/dbraw/zinc/25/35/47/1091253547.db2.gz KDUAECDKCCVQBM-LBPRGKRZSA-N 2 1 321.259 3.164 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCC3)C[C@H]2C1 ZINC001138615677 1091256670 /nfs/dbraw/zinc/25/66/70/1091256670.db2.gz QKIALOVZINRBTA-RTBURBONSA-N 2 1 313.489 3.060 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2-c2nccs2)CC1 ZINC001205570271 1091259758 /nfs/dbraw/zinc/25/97/58/1091259758.db2.gz HPVCEUMOUSZDPY-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccn2Cc2ccccc2)CC1 ZINC001205582895 1091266292 /nfs/dbraw/zinc/26/62/92/1091266292.db2.gz ZNOYDVSUCSBIDB-IBGZPJMESA-N 2 1 315.436 3.189 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2csc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205637415 1091289855 /nfs/dbraw/zinc/28/98/55/1091289855.db2.gz GWLVRMNRCQDKTE-ZYHUDNBSSA-N 2 1 317.296 3.317 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205591197 1091269663 /nfs/dbraw/zinc/26/96/63/1091269663.db2.gz HARBIXGOLKYURB-OAHLLOKOSA-N 2 1 320.330 3.080 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592324 1091270834 /nfs/dbraw/zinc/27/08/34/1091270834.db2.gz SSKCUEHXLVMBNN-GOSISDBHSA-N 2 1 308.441 3.435 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1C[NH3+] ZINC001205603602 1091275094 /nfs/dbraw/zinc/27/50/94/1091275094.db2.gz QWZIWVCTFIDAOD-HIFRSBDPSA-N 2 1 317.408 3.288 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205605270 1091275828 /nfs/dbraw/zinc/27/58/28/1091275828.db2.gz ZRLWKDRIRGJVBE-GXTWGEPZSA-N 2 1 316.367 3.392 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205617753 1091282230 /nfs/dbraw/zinc/28/22/30/1091282230.db2.gz NDWFTGCBRDIIIC-TZMCWYRMSA-N 2 1 303.425 3.422 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)s2)CC[C@H]1C[NH3+] ZINC001205616204 1091282686 /nfs/dbraw/zinc/28/26/86/1091282686.db2.gz DKLZCTBSUQCMLY-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC001205618813 1091283344 /nfs/dbraw/zinc/28/33/44/1091283344.db2.gz YYTKPUDGDAHYPG-UKRRQHHQSA-N 2 1 316.424 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC[C@H]1C[NH3+] ZINC001205627374 1091285683 /nfs/dbraw/zinc/28/56/83/1091285683.db2.gz OTSYHPXCFBHWCP-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205625247 1091286053 /nfs/dbraw/zinc/28/60/53/1091286053.db2.gz AIVHTKLXUGIDFY-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1F ZINC001205629489 1091288020 /nfs/dbraw/zinc/28/80/20/1091288020.db2.gz ZGKRWMXICXAEAE-OCCSQVGLSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2csc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205637410 1091289597 /nfs/dbraw/zinc/28/95/97/1091289597.db2.gz GWLVRMNRCQDKTE-CMPLNLGQSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205637525 1091289724 /nfs/dbraw/zinc/28/97/24/1091289724.db2.gz HTMRYRBSQLEXDG-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205637525 1091289734 /nfs/dbraw/zinc/28/97/34/1091289734.db2.gz HTMRYRBSQLEXDG-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(N3CCCC3)c2)CC[C@@H]1C[NH3+] ZINC001205638437 1091292168 /nfs/dbraw/zinc/29/21/68/1091292168.db2.gz NVXMGBQTWRICME-FUHWJXTLSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205651282 1091295877 /nfs/dbraw/zinc/29/58/77/1091295877.db2.gz CEAUGBCCNRKPNK-DGCLKSJQSA-N 2 1 316.367 3.234 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651371 1091296829 /nfs/dbraw/zinc/29/68/29/1091296829.db2.gz DBIINOQECDQUJF-HUUCEWRRSA-N 2 1 308.441 3.421 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC[C@H]1C[NH3+] ZINC001205652992 1091298651 /nfs/dbraw/zinc/29/86/51/1091298651.db2.gz RSNYYDHRTKDLAT-WBVHZDCISA-N 2 1 319.468 3.233 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@H]1C[NH3+] ZINC001205655269 1091299285 /nfs/dbraw/zinc/29/92/85/1091299285.db2.gz ZBYABGWYGMCHAG-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H](C[N@H+]1CCCC[C@@](O)(C[NH3+])C1)c1cccc2ccccc21 ZINC001205665473 1091303727 /nfs/dbraw/zinc/30/37/27/1091303727.db2.gz RNGOVEQNFMZALS-OXJNMPFZSA-N 2 1 312.457 3.119 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)cc1 ZINC001138769835 1091323773 /nfs/dbraw/zinc/32/37/73/1091323773.db2.gz KITKTJPRULUABW-GOSISDBHSA-N 2 1 308.441 3.341 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c2)cc1 ZINC001205726907 1091323936 /nfs/dbraw/zinc/32/39/36/1091323936.db2.gz ZSPTYQPRLSYOOH-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001138772502 1091325218 /nfs/dbraw/zinc/32/52/18/1091325218.db2.gz NUYPHDGZBISASV-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2N2CCCCC2)CCC1(F)F ZINC001205772195 1091342329 /nfs/dbraw/zinc/34/23/29/1091342329.db2.gz ZHBYIFGYGBMYSL-INIZCTEOSA-N 2 1 323.431 3.093 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2N2CCCCC2)CCC1(F)F ZINC001205772195 1091342341 /nfs/dbraw/zinc/34/23/41/1091342341.db2.gz ZHBYIFGYGBMYSL-INIZCTEOSA-N 2 1 323.431 3.093 20 0 DGADMP Cc1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941578 1091386221 /nfs/dbraw/zinc/38/62/21/1091386221.db2.gz KUPHMVIIQUYSHM-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941578 1091386231 /nfs/dbraw/zinc/38/62/31/1091386231.db2.gz KUPHMVIIQUYSHM-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941578 1091386242 /nfs/dbraw/zinc/38/62/42/1091386242.db2.gz KUPHMVIIQUYSHM-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001138941578 1091386251 /nfs/dbraw/zinc/38/62/51/1091386251.db2.gz KUPHMVIIQUYSHM-OALUTQOASA-N 2 1 324.472 3.062 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001138954875 1091390985 /nfs/dbraw/zinc/39/09/85/1091390985.db2.gz BSMOOYRAYCATFT-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001138954875 1091390992 /nfs/dbraw/zinc/39/09/92/1091390992.db2.gz BSMOOYRAYCATFT-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001138954875 1091391000 /nfs/dbraw/zinc/39/10/00/1091391000.db2.gz BSMOOYRAYCATFT-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCCOc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001138954875 1091391005 /nfs/dbraw/zinc/39/10/05/1091391005.db2.gz BSMOOYRAYCATFT-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001205903684 1091402131 /nfs/dbraw/zinc/40/21/31/1091402131.db2.gz QSADJVDWEYVNJD-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904671 1091402275 /nfs/dbraw/zinc/40/22/75/1091402275.db2.gz WHZZPWOLDIYFRR-RDJZCZTQSA-N 2 1 311.429 3.433 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904671 1091402279 /nfs/dbraw/zinc/40/22/79/1091402279.db2.gz WHZZPWOLDIYFRR-RDJZCZTQSA-N 2 1 311.429 3.433 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001205904372 1091402293 /nfs/dbraw/zinc/40/22/93/1091402293.db2.gz URDTZOBOKKCAFX-YPMHNXCESA-N 2 1 302.340 3.144 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914070 1091406733 /nfs/dbraw/zinc/40/67/33/1091406733.db2.gz KUDMKYSIJXBYGL-IUODEOHRSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914070 1091406736 /nfs/dbraw/zinc/40/67/36/1091406736.db2.gz KUDMKYSIJXBYGL-IUODEOHRSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205914822 1091408894 /nfs/dbraw/zinc/40/88/94/1091408894.db2.gz OAUUZWHHXJHPIU-KXBFYZLASA-N 2 1 311.473 3.465 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914486 1091409727 /nfs/dbraw/zinc/40/97/27/1091409727.db2.gz MJWVMJLMRMKKMI-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2nccc(Cl)c2c1 ZINC001205914486 1091409731 /nfs/dbraw/zinc/40/97/31/1091409731.db2.gz MJWVMJLMRMKKMI-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001205914871 1091410234 /nfs/dbraw/zinc/41/02/34/1091410234.db2.gz OIFHBZQZJQUBCG-STQMWFEESA-N 2 1 303.837 3.447 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1C ZINC001205923146 1091414944 /nfs/dbraw/zinc/41/49/44/1091414944.db2.gz JPQKLDMTEXWOMH-NVXWUHKLSA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1C ZINC001205923146 1091414951 /nfs/dbraw/zinc/41/49/51/1091414951.db2.gz JPQKLDMTEXWOMH-NVXWUHKLSA-N 2 1 305.466 3.128 20 0 DGADMP CC1(C)CCC(c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205984641 1091435570 /nfs/dbraw/zinc/43/55/70/1091435570.db2.gz SVVBPDVCJHRUDC-RTBURBONSA-N 2 1 316.489 3.264 20 0 DGADMP CC1(C)CCC(c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205984641 1091435575 /nfs/dbraw/zinc/43/55/75/1091435575.db2.gz SVVBPDVCJHRUDC-RTBURBONSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CCCCC2)CCC[C@H]1C[NH3+] ZINC001205992567 1091438962 /nfs/dbraw/zinc/43/89/62/1091438962.db2.gz FJJHLQBARNRUDT-ROUUACIJSA-N 2 1 315.505 3.484 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(C)C ZINC001205992579 1091439930 /nfs/dbraw/zinc/43/99/30/1091439930.db2.gz FKFPGGYFDPOFIZ-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccn2-c2ccccc2F)CCC[C@@H]1C[NH3+] ZINC001205997018 1091441063 /nfs/dbraw/zinc/44/10/63/1091441063.db2.gz YRSLLNZNWXFFTB-JKSUJKDBSA-N 2 1 315.436 3.423 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OCC)c1 ZINC001206003165 1091444016 /nfs/dbraw/zinc/44/40/16/1091444016.db2.gz FQOVNUYERYYIQE-HOTGVXAUSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cscc2Br)CCC[C@@H]1C[NH3+] ZINC001206005331 1091445502 /nfs/dbraw/zinc/44/55/02/1091445502.db2.gz XUJXPVDAGDHCLL-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CCC[C@H]1C[NH3+] ZINC001206012329 1091450050 /nfs/dbraw/zinc/45/00/50/1091450050.db2.gz KPZQBCAUNPQLQP-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206014032 1091451843 /nfs/dbraw/zinc/45/18/43/1091451843.db2.gz VFXFCFMATGUSIQ-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206025183 1091455450 /nfs/dbraw/zinc/45/54/50/1091455450.db2.gz MQQYUDMYAMKEMB-HUUCEWRRSA-N 2 1 308.441 3.421 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)ccnc12 ZINC001206027244 1091457673 /nfs/dbraw/zinc/45/76/73/1091457673.db2.gz VHYKJLRGHFSJLV-CABCVRRESA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CCC[C@H]1C[NH3+] ZINC001206034848 1091461445 /nfs/dbraw/zinc/46/14/45/1091461445.db2.gz BBELZOPALAPXLB-WBVHZDCISA-N 2 1 319.468 3.233 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206163699 1091516651 /nfs/dbraw/zinc/51/66/51/1091516651.db2.gz DUGJAWJHBYIWNS-ZWKOTPCHSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc2c1 ZINC001206163699 1091516661 /nfs/dbraw/zinc/51/66/61/1091516661.db2.gz DUGJAWJHBYIWNS-ZWKOTPCHSA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@@H]1F ZINC001206174550 1091522179 /nfs/dbraw/zinc/52/21/79/1091522179.db2.gz OBGDZXQTBMCUBO-LSDHHAIUSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@@H]1F ZINC001206174550 1091522188 /nfs/dbraw/zinc/52/21/88/1091522188.db2.gz OBGDZXQTBMCUBO-LSDHHAIUSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC[C@H]1F ZINC001206175444 1091522278 /nfs/dbraw/zinc/52/22/78/1091522278.db2.gz VGLBSTYZEZYWTP-KGLIPLIRSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@H]1F ZINC001206174549 1091523009 /nfs/dbraw/zinc/52/30/09/1091523009.db2.gz OBGDZXQTBMCUBO-HUUCEWRRSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@H]1F ZINC001206174549 1091523017 /nfs/dbraw/zinc/52/30/17/1091523017.db2.gz OBGDZXQTBMCUBO-HUUCEWRRSA-N 2 1 323.412 3.210 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(OC(F)(F)F)c1 ZINC001206185245 1091524497 /nfs/dbraw/zinc/52/44/97/1091524497.db2.gz MEANBCDMMRTSLA-ZIAGYGMSSA-N 2 1 320.330 3.155 20 0 DGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001206269775 1091557547 /nfs/dbraw/zinc/55/75/47/1091557547.db2.gz VZQLJXJWAVWIST-INIZCTEOSA-N 2 1 320.440 3.067 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001206269775 1091557559 /nfs/dbraw/zinc/55/75/59/1091557559.db2.gz VZQLJXJWAVWIST-INIZCTEOSA-N 2 1 320.440 3.067 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2(c3ccccc3)CCOCC2)CC1 ZINC001206296061 1091565510 /nfs/dbraw/zinc/56/55/10/1091565510.db2.gz OZBZBANTDANXFH-LJQANCHMSA-N 2 1 316.489 3.186 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001206304224 1091570150 /nfs/dbraw/zinc/57/01/50/1091570150.db2.gz HTNDHEILFCWCKO-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318720 1091576499 /nfs/dbraw/zinc/57/64/99/1091576499.db2.gz SVYTWAKTPUDBEB-HXUWFJFHSA-N 2 1 324.472 3.403 20 0 DGADMP C[C@@]1(F)CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001206405150 1091618337 /nfs/dbraw/zinc/61/83/37/1091618337.db2.gz OTTHJOCOIPOWTR-GOSISDBHSA-N 2 1 301.409 3.069 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1CC ZINC001139626651 1091627542 /nfs/dbraw/zinc/62/75/42/1091627542.db2.gz VJFDMXGSQDGVTB-IBGZPJMESA-N 2 1 302.462 3.175 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1CC ZINC001139626651 1091627549 /nfs/dbraw/zinc/62/75/49/1091627549.db2.gz VJFDMXGSQDGVTB-IBGZPJMESA-N 2 1 302.462 3.175 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1CC ZINC001139626651 1091627555 /nfs/dbraw/zinc/62/75/55/1091627555.db2.gz VJFDMXGSQDGVTB-IBGZPJMESA-N 2 1 302.462 3.175 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1CC ZINC001139626651 1091627563 /nfs/dbraw/zinc/62/75/63/1091627563.db2.gz VJFDMXGSQDGVTB-IBGZPJMESA-N 2 1 302.462 3.175 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001206431179 1091628472 /nfs/dbraw/zinc/62/84/72/1091628472.db2.gz ZXWJVXUITCHJMI-RDJZCZTQSA-N 2 1 324.509 3.018 20 0 DGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001139713527 1091649618 /nfs/dbraw/zinc/64/96/18/1091649618.db2.gz YDQJHNLQAOCNHF-UHFFFAOYSA-N 2 1 302.462 3.459 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c2c1 ZINC001206556721 1091668966 /nfs/dbraw/zinc/66/89/66/1091668966.db2.gz VXXRPGJTVRXFER-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP CCOc1ccc(OC)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563734 1091671672 /nfs/dbraw/zinc/67/16/72/1091671672.db2.gz IEBKFHXWDFZBHY-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563734 1091671677 /nfs/dbraw/zinc/67/16/77/1091671677.db2.gz IEBKFHXWDFZBHY-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP COc1cccc2c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c[nH]c21 ZINC001206565941 1091672178 /nfs/dbraw/zinc/67/21/78/1091672178.db2.gz WFOUTZCTUYPCMN-SFHVURJKSA-N 2 1 301.434 3.127 20 0 DGADMP CCOc1cc(OC)ccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206584312 1091677687 /nfs/dbraw/zinc/67/76/87/1091677687.db2.gz YFMHUHBGQUMCHX-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206584312 1091677695 /nfs/dbraw/zinc/67/76/95/1091677695.db2.gz YFMHUHBGQUMCHX-GOSISDBHSA-N 2 1 306.450 3.045 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599687 1091683857 /nfs/dbraw/zinc/68/38/57/1091683857.db2.gz VOMYMIHTROAUTH-OAHLLOKOSA-N 2 1 308.441 3.495 20 0 DGADMP COc1cc(C)cc(F)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599687 1091683858 /nfs/dbraw/zinc/68/38/58/1091683858.db2.gz VOMYMIHTROAUTH-OAHLLOKOSA-N 2 1 308.441 3.495 20 0 DGADMP COc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599461 1091684778 /nfs/dbraw/zinc/68/47/78/1091684778.db2.gz SDIZDFWMOKVRPV-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599461 1091684782 /nfs/dbraw/zinc/68/47/82/1091684782.db2.gz SDIZDFWMOKVRPV-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001206607273 1091687062 /nfs/dbraw/zinc/68/70/62/1091687062.db2.gz ZFFDRCDFUOWQMS-AWEZNQCLSA-N 2 1 300.368 3.309 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206623514 1091693380 /nfs/dbraw/zinc/69/33/80/1091693380.db2.gz MNLAAJMQQPOHNC-INIZCTEOSA-N 2 1 318.461 3.203 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[NH+]1CCCCC1 ZINC001206701361 1091707655 /nfs/dbraw/zinc/70/76/55/1091707655.db2.gz WRSKRJDYFXHCLE-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP CC1(C[NH3+])C[NH+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001206729700 1091714768 /nfs/dbraw/zinc/71/47/68/1091714768.db2.gz HOCRJPOHIUZLIF-UHFFFAOYSA-N 2 1 319.811 3.322 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206760667 1091726624 /nfs/dbraw/zinc/72/66/24/1091726624.db2.gz KAAJUYURHCLKNF-IRXDYDNUSA-N 2 1 312.498 3.339 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767985 1091731343 /nfs/dbraw/zinc/73/13/43/1091731343.db2.gz GMDUDQDQQDAZCU-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767985 1091731347 /nfs/dbraw/zinc/73/13/47/1091731347.db2.gz GMDUDQDQQDAZCU-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1OCC1CC1 ZINC001206768167 1091731481 /nfs/dbraw/zinc/73/14/81/1091731481.db2.gz IDOBYSVDHGQCSH-WMLDXEAASA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001206768279 1091731767 /nfs/dbraw/zinc/73/17/67/1091731767.db2.gz IHMVKYCNZRQMDF-HUUCEWRRSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccn1-c1ccccc1F ZINC001206768279 1091731772 /nfs/dbraw/zinc/73/17/72/1091731772.db2.gz IHMVKYCNZRQMDF-HUUCEWRRSA-N 2 1 301.409 3.176 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1OCC1CC1 ZINC001206768166 1091731946 /nfs/dbraw/zinc/73/19/46/1091731946.db2.gz IDOBYSVDHGQCSH-RHSMWYFYSA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001206772221 1091734021 /nfs/dbraw/zinc/73/40/21/1091734021.db2.gz ZJNRTJSCGLWSLC-ZBFHGGJFSA-N 2 1 318.461 3.201 20 0 DGADMP COc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001206799222 1091746286 /nfs/dbraw/zinc/74/62/86/1091746286.db2.gz CQRZQYNSUGDWMU-KBXCAEBGSA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001206799222 1091746291 /nfs/dbraw/zinc/74/62/91/1091746291.db2.gz CQRZQYNSUGDWMU-KBXCAEBGSA-N 2 1 308.441 3.387 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206811465 1091750790 /nfs/dbraw/zinc/75/07/90/1091750790.db2.gz UYYVJQCWETUCQP-DOTOQJQBSA-N 3 1 313.489 3.247 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206811465 1091750793 /nfs/dbraw/zinc/75/07/93/1091750793.db2.gz UYYVJQCWETUCQP-DOTOQJQBSA-N 2 1 313.489 3.247 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206811466 1091750965 /nfs/dbraw/zinc/75/09/65/1091750965.db2.gz UYYVJQCWETUCQP-NVXWUHKLSA-N 3 1 313.489 3.247 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206811466 1091750972 /nfs/dbraw/zinc/75/09/72/1091750972.db2.gz UYYVJQCWETUCQP-NVXWUHKLSA-N 2 1 313.489 3.247 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC001206819550 1091752892 /nfs/dbraw/zinc/75/28/92/1091752892.db2.gz STXCFULNEDJMGF-HXUWFJFHSA-N 2 1 318.505 3.395 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(C[C@H]1CCC[NH+](C)C1)C2 ZINC001276496438 1091758009 /nfs/dbraw/zinc/75/80/09/1091758009.db2.gz BZVXAUMTSXCUTL-MOPGFXCFSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CCC12CN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001276496438 1091758012 /nfs/dbraw/zinc/75/80/12/1091758012.db2.gz BZVXAUMTSXCUTL-MOPGFXCFSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CCC12CN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001276496438 1091758019 /nfs/dbraw/zinc/75/80/19/1091758019.db2.gz BZVXAUMTSXCUTL-MOPGFXCFSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276496380 1091758641 /nfs/dbraw/zinc/75/86/41/1091758641.db2.gz AMMUFOWMKHZFLI-OALUTQOASA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(C(F)(F)F)ccn3)C2)CC1 ZINC001140108901 1091771933 /nfs/dbraw/zinc/77/19/33/1091771933.db2.gz SGEBECQTFGRHOZ-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+](C)C3CC[NH+](CC)CC3)c2c1 ZINC001140270357 1091811409 /nfs/dbraw/zinc/81/14/09/1091811409.db2.gz ICZDIXVIBVRBPZ-UHFFFAOYSA-N 2 1 315.461 3.483 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)C3CC[NH+](CC)CC3)c2c1 ZINC001140270357 1091811415 /nfs/dbraw/zinc/81/14/15/1091811415.db2.gz ICZDIXVIBVRBPZ-UHFFFAOYSA-N 2 1 315.461 3.483 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1-c1cccnc1)C2 ZINC001140318775 1091823251 /nfs/dbraw/zinc/82/32/51/1091823251.db2.gz KVZFGHWFVYTZCU-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1-c1cccnc1)C2 ZINC001140318775 1091823257 /nfs/dbraw/zinc/82/32/57/1091823257.db2.gz KVZFGHWFVYTZCU-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP C[C@@H](CC[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1)CC(C)(C)C ZINC001276503726 1091825744 /nfs/dbraw/zinc/82/57/44/1091825744.db2.gz JKXFWVGGPANTQM-SFHVURJKSA-N 2 1 323.569 3.408 20 0 DGADMP Cc1ncc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)s1 ZINC001207059484 1091832113 /nfs/dbraw/zinc/83/21/13/1091832113.db2.gz SOULMVUUZSZQLA-OKILXGFUSA-N 2 1 319.499 3.077 20 0 DGADMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001207079212 1091839969 /nfs/dbraw/zinc/83/99/69/1091839969.db2.gz UXAMZYZSGVHNNS-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140381592 1091843430 /nfs/dbraw/zinc/84/34/30/1091843430.db2.gz FKNPTJXMXJZHAJ-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140381592 1091843434 /nfs/dbraw/zinc/84/34/34/1091843434.db2.gz FKNPTJXMXJZHAJ-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4C)C[C@H]3C2)cc1 ZINC001207149563 1091863794 /nfs/dbraw/zinc/86/37/94/1091863794.db2.gz UTWDNIZBFKQYKA-NHCUHLMSSA-N 2 1 321.468 3.262 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182806 1091879005 /nfs/dbraw/zinc/87/90/05/1091879005.db2.gz LRVOFVFFKVWDFO-MUQADHOPSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182806 1091879012 /nfs/dbraw/zinc/87/90/12/1091879012.db2.gz LRVOFVFFKVWDFO-MUQADHOPSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182806 1091879020 /nfs/dbraw/zinc/87/90/20/1091879020.db2.gz LRVOFVFFKVWDFO-MUQADHOPSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207199382 1091884892 /nfs/dbraw/zinc/88/48/92/1091884892.db2.gz VHCWYJVNRSSSEI-CIRFHOKZSA-N 2 1 304.865 3.327 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CCC3CC3)C[C@H]2CC1 ZINC001276514375 1091892388 /nfs/dbraw/zinc/89/23/88/1091892388.db2.gz ZLLGLVIKUFZIGQ-CALCHBBNSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC001276514375 1091892389 /nfs/dbraw/zinc/89/23/89/1091892389.db2.gz ZLLGLVIKUFZIGQ-CALCHBBNSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC001276514375 1091892397 /nfs/dbraw/zinc/89/23/97/1091892397.db2.gz ZLLGLVIKUFZIGQ-CALCHBBNSA-N 2 1 319.518 3.395 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001140523749 1091896622 /nfs/dbraw/zinc/89/66/22/1091896622.db2.gz WNINBTOZBCSQIL-UHFFFAOYSA-N 2 1 324.490 3.087 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cccc(Br)c1 ZINC001207279208 1091908428 /nfs/dbraw/zinc/90/84/28/1091908428.db2.gz IRGHZCNEPAIRGF-UHFFFAOYSA-N 2 1 313.283 3.469 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc(Br)c1 ZINC001207279208 1091908432 /nfs/dbraw/zinc/90/84/32/1091908432.db2.gz IRGHZCNEPAIRGF-UHFFFAOYSA-N 2 1 313.283 3.469 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287196 1091912318 /nfs/dbraw/zinc/91/23/18/1091912318.db2.gz ZDLAVRUNSKZGEW-MRXNPFEDSA-N 2 1 320.477 3.126 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287196 1091912323 /nfs/dbraw/zinc/91/23/23/1091912323.db2.gz ZDLAVRUNSKZGEW-MRXNPFEDSA-N 2 1 320.477 3.126 20 0 DGADMP CC(C)[C@@H]1COCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292377 1091914327 /nfs/dbraw/zinc/91/43/27/1091914327.db2.gz QGKGREDNOQTSQA-FQEVSTJZSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCCO1 ZINC001207291534 1091914747 /nfs/dbraw/zinc/91/47/47/1091914747.db2.gz RNTSOJXMZNBMSP-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207294965 1091915706 /nfs/dbraw/zinc/91/57/06/1091915706.db2.gz XROVXXBHOBJOOA-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)c1 ZINC001207400301 1091955640 /nfs/dbraw/zinc/95/56/40/1091955640.db2.gz DSWLPXVAIVYKJT-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)c1 ZINC001207402162 1091955988 /nfs/dbraw/zinc/95/59/88/1091955988.db2.gz YCILOBWVSFBSMS-SFHVURJKSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@H]1CN(CCC2CC[NH+](C)CC2)CC[N@H+]1C1CCCCC1 ZINC001207489279 1091986060 /nfs/dbraw/zinc/98/60/60/1091986060.db2.gz YGHVGJWTJLOBDI-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP COc1ccc2c(c1)C[N@H+](CCC1CC[NH+](C)CC1)CCC2 ZINC001207489227 1091986750 /nfs/dbraw/zinc/98/67/50/1091986750.db2.gz VMOMKTIWDVATFN-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538667 1092008121 /nfs/dbraw/zinc/00/81/21/1092008121.db2.gz FIPOYJFJUKIUJT-KRWDZBQOSA-N 2 1 316.474 3.056 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001140807176 1092014679 /nfs/dbraw/zinc/01/46/79/1092014679.db2.gz PLYDZSZCWIUMDK-KRWDZBQOSA-N 2 1 307.397 3.354 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001140807176 1092014689 /nfs/dbraw/zinc/01/46/89/1092014689.db2.gz PLYDZSZCWIUMDK-KRWDZBQOSA-N 2 1 307.397 3.354 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1N ZINC001140898717 1092054743 /nfs/dbraw/zinc/05/47/43/1092054743.db2.gz XYWVGYJSKSAGAT-DLBZAZTESA-N 2 1 317.477 3.116 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1N ZINC001140898717 1092054751 /nfs/dbraw/zinc/05/47/51/1092054751.db2.gz XYWVGYJSKSAGAT-DLBZAZTESA-N 2 1 317.477 3.116 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1N ZINC001140898717 1092054760 /nfs/dbraw/zinc/05/47/60/1092054760.db2.gz XYWVGYJSKSAGAT-DLBZAZTESA-N 2 1 317.477 3.116 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@@H](C)CCCC(C)(C)O)C[C@@H]2C1 ZINC001207684331 1092069661 /nfs/dbraw/zinc/06/96/61/1092069661.db2.gz ZJBWZECGICHHPG-OKZBNKHCSA-N 2 1 310.526 3.227 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H](C)CCCC(C)(C)O)C[C@@H]2C1 ZINC001207684331 1092069668 /nfs/dbraw/zinc/06/96/68/1092069668.db2.gz ZJBWZECGICHHPG-OKZBNKHCSA-N 2 1 310.526 3.227 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@@H](C)CCCC(C)(C)O)C[C@@H]2C1 ZINC001207684331 1092069675 /nfs/dbraw/zinc/06/96/75/1092069675.db2.gz ZJBWZECGICHHPG-OKZBNKHCSA-N 2 1 310.526 3.227 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001140971247 1092090219 /nfs/dbraw/zinc/09/02/19/1092090219.db2.gz MPYREUONODKZGG-PKOBYXMFSA-N 2 1 313.489 3.203 20 0 DGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCO2)CC3)c1 ZINC001207850227 1092120833 /nfs/dbraw/zinc/12/08/33/1092120833.db2.gz LWBWIAPEFKXPMZ-MRXNPFEDSA-N 2 1 320.502 3.215 20 0 DGADMP Cc1ncoc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001141051829 1092121024 /nfs/dbraw/zinc/12/10/24/1092121024.db2.gz RPNJVTRSKZXHBF-UHFFFAOYSA-N 2 1 322.412 3.162 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1)c1ccccc1 ZINC001207904408 1092134039 /nfs/dbraw/zinc/13/40/39/1092134039.db2.gz DIMLSJZCJOOVTE-YSIASYRMSA-N 2 1 321.468 3.249 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013129 1092175109 /nfs/dbraw/zinc/17/51/09/1092175109.db2.gz AUCQLIOERTVEPD-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+]1CCC(C)(C[N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001208110758 1092199087 /nfs/dbraw/zinc/19/90/87/1092199087.db2.gz FYNWJRAMIUUYKQ-UHFFFAOYSA-N 2 1 322.456 3.191 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001208110758 1092199092 /nfs/dbraw/zinc/19/90/92/1092199092.db2.gz FYNWJRAMIUUYKQ-UHFFFAOYSA-N 2 1 322.456 3.191 20 0 DGADMP C[NH+](C)CC1(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCCC1 ZINC001208181967 1092246350 /nfs/dbraw/zinc/24/63/50/1092246350.db2.gz FXSAVVDELBRMAV-IBGZPJMESA-N 2 1 315.505 3.097 20 0 DGADMP Fc1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001208197187 1092256761 /nfs/dbraw/zinc/25/67/61/1092256761.db2.gz IFLGIWJJNRFFRQ-WOJBJXKFSA-N 2 1 324.443 3.432 20 0 DGADMP CC/C=C\CCCCC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001208196309 1092257512 /nfs/dbraw/zinc/25/75/12/1092257512.db2.gz OHWYILZDMFKCGA-PLNGDYQASA-N 2 1 321.553 3.472 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208278812 1092298259 /nfs/dbraw/zinc/29/82/59/1092298259.db2.gz BIVAZAFWIBLMSM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)s2)CCC[C@H]1C[NH3+] ZINC001205991740 1092343261 /nfs/dbraw/zinc/34/32/61/1092343261.db2.gz BUMBEVDHAZSJMB-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1nc(C)c(CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)[nH]1 ZINC001276570223 1092418826 /nfs/dbraw/zinc/41/88/26/1092418826.db2.gz LSZOQAXDJVFICY-LJQANCHMSA-N 2 1 316.493 3.257 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c(C)[nH+]1 ZINC001276570223 1092418834 /nfs/dbraw/zinc/41/88/34/1092418834.db2.gz LSZOQAXDJVFICY-LJQANCHMSA-N 2 1 316.493 3.257 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c(C)[nH+]1 ZINC001276570223 1092418841 /nfs/dbraw/zinc/41/88/41/1092418841.db2.gz LSZOQAXDJVFICY-LJQANCHMSA-N 2 1 316.493 3.257 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001208598018 1092419942 /nfs/dbraw/zinc/41/99/42/1092419942.db2.gz PZSWZJSEVFEGIE-GOSISDBHSA-N 2 1 319.518 3.370 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC001208601227 1092421820 /nfs/dbraw/zinc/42/18/20/1092421820.db2.gz KQUYBNMNQVJNGS-LJQANCHMSA-N 2 1 320.452 3.105 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001208602548 1092422961 /nfs/dbraw/zinc/42/29/61/1092422961.db2.gz HUYGAUPCQURKBC-GOSISDBHSA-N 2 1 302.462 3.216 20 0 DGADMP Cc1ccccc1OC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208605051 1092425919 /nfs/dbraw/zinc/42/59/19/1092425919.db2.gz XGTVYXFQMFURIL-KRWDZBQOSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Cc3cccc(F)c3)CC2)C1 ZINC001208615078 1092427205 /nfs/dbraw/zinc/42/72/05/1092427205.db2.gz HJUHLZUTMVKGFG-SFHVURJKSA-N 2 1 304.453 3.422 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCC1CCCC1)C2 ZINC001208693325 1092459911 /nfs/dbraw/zinc/45/99/11/1092459911.db2.gz IZOQZEHKNYTROA-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCC1CCCC1)C2 ZINC001208693325 1092459921 /nfs/dbraw/zinc/45/99/21/1092459921.db2.gz IZOQZEHKNYTROA-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCC1CCCC1)C2 ZINC001208693325 1092459930 /nfs/dbraw/zinc/45/99/30/1092459930.db2.gz IZOQZEHKNYTROA-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCC1CCCC1)C2 ZINC001208693325 1092459941 /nfs/dbraw/zinc/45/99/41/1092459941.db2.gz IZOQZEHKNYTROA-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169095696 1092526373 /nfs/dbraw/zinc/52/63/73/1092526373.db2.gz RMPRKTBIHAXBDD-ZSOGYDGISA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169095696 1092526385 /nfs/dbraw/zinc/52/63/85/1092526385.db2.gz RMPRKTBIHAXBDD-ZSOGYDGISA-N 2 1 314.351 3.300 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1cccc3ccccc31)C2 ZINC001169099921 1092529868 /nfs/dbraw/zinc/52/98/68/1092529868.db2.gz WSWYEBXZLQBPLN-NNZMDNLPSA-N 2 1 310.441 3.433 20 0 DGADMP Cc1cc(C)cc(OC[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081638 1092535251 /nfs/dbraw/zinc/53/52/51/1092535251.db2.gz UYRFNZRPWWYQHN-FJIDUMEYSA-N 2 1 302.462 3.286 20 0 DGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116496 1092539900 /nfs/dbraw/zinc/53/99/00/1092539900.db2.gz QQQMXCJVXWGMIO-PXIVNFAOSA-N 2 1 307.526 3.230 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116496 1092539909 /nfs/dbraw/zinc/53/99/09/1092539909.db2.gz QQQMXCJVXWGMIO-PXIVNFAOSA-N 3 1 307.526 3.230 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116496 1092539915 /nfs/dbraw/zinc/53/99/15/1092539915.db2.gz QQQMXCJVXWGMIO-PXIVNFAOSA-N 3 1 307.526 3.230 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116496 1092539926 /nfs/dbraw/zinc/53/99/26/1092539926.db2.gz QQQMXCJVXWGMIO-PXIVNFAOSA-N 3 1 307.526 3.230 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116496 1092539932 /nfs/dbraw/zinc/53/99/32/1092539932.db2.gz QQQMXCJVXWGMIO-PXIVNFAOSA-N 3 1 307.526 3.230 20 0 DGADMP COc1ccccc1CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118572 1092541386 /nfs/dbraw/zinc/54/13/86/1092541386.db2.gz KMFQKYCZMFQSSE-OSYLJGHBSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccccc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169119821 1092542589 /nfs/dbraw/zinc/54/25/89/1092542589.db2.gz WWBFGORNIFLCSC-GGXPGOJBSA-N 2 1 300.446 3.361 20 0 DGADMP COc1ccc(CC(C)(C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169118773 1092543274 /nfs/dbraw/zinc/54/32/74/1092543274.db2.gz NICSMAUCOLBPSH-BCDXTJNWSA-N 2 1 316.489 3.479 20 0 DGADMP Oc1cccnc1CN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276594097 1092545196 /nfs/dbraw/zinc/54/51/96/1092545196.db2.gz QCBSCZOJXOCFBH-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP Cc1c[nH]c2nc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)[nH+]cc12 ZINC001169139759 1092550448 /nfs/dbraw/zinc/55/04/48/1092550448.db2.gz DBXPDKRTEJZPTR-SJKOYZFVSA-N 2 1 301.438 3.174 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169139688 1092551990 /nfs/dbraw/zinc/55/19/90/1092551990.db2.gz DLKHTGDPSIZVFQ-MANSERQUSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139688 1092551996 /nfs/dbraw/zinc/55/19/96/1092551996.db2.gz DLKHTGDPSIZVFQ-MANSERQUSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139688 1092552005 /nfs/dbraw/zinc/55/20/05/1092552005.db2.gz DLKHTGDPSIZVFQ-MANSERQUSA-N 2 1 314.473 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(C[NH3+])c(C(F)(F)F)c1)C2 ZINC001169107825 1092553599 /nfs/dbraw/zinc/55/35/99/1092553599.db2.gz KUAWGXIIRNSEBX-BTTYYORXSA-N 2 1 313.367 3.201 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(Cl)cc3C1)C2 ZINC001169108194 1092554518 /nfs/dbraw/zinc/55/45/18/1092554518.db2.gz PGDJEXPSEQAMIP-FJIDUMEYSA-N 2 1 304.865 3.412 20 0 DGADMP COc1cc2[nH+]ccn2cc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169151546 1092565322 /nfs/dbraw/zinc/56/53/22/1092565322.db2.gz KYVSXHVTTPKRKJ-UGSOOPFHSA-N 2 1 316.449 3.299 20 0 DGADMP COc1cc2[nH+]ccn2cc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169151545 1092565340 /nfs/dbraw/zinc/56/53/40/1092565340.db2.gz KYVSXHVTTPKRKJ-SCLBCKFNSA-N 2 1 316.449 3.299 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C3CC[NH2+]CC3)c3ccccc31)C2 ZINC001169152337 1092566885 /nfs/dbraw/zinc/56/68/85/1092566885.db2.gz BAIFYMMNOXIAMU-BJWYYQGGSA-N 2 1 324.472 3.301 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169154998 1092569860 /nfs/dbraw/zinc/56/98/60/1092569860.db2.gz VOOIHMODWGWJEA-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169154998 1092569871 /nfs/dbraw/zinc/56/98/71/1092569871.db2.gz VOOIHMODWGWJEA-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169154998 1092569883 /nfs/dbraw/zinc/56/98/83/1092569883.db2.gz VOOIHMODWGWJEA-INDMIFKZSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1Cc1ccc(F)cc1)C2 ZINC001169160715 1092571586 /nfs/dbraw/zinc/57/15/86/1092571586.db2.gz LDSAGFKXRJDLTG-RDGPPVDQSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)C2 ZINC001169160715 1092571591 /nfs/dbraw/zinc/57/15/91/1092571591.db2.gz LDSAGFKXRJDLTG-RDGPPVDQSA-N 2 1 302.437 3.458 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1Cc1ccc(F)cc1)C2 ZINC001169160715 1092571602 /nfs/dbraw/zinc/57/16/02/1092571602.db2.gz LDSAGFKXRJDLTG-RDGPPVDQSA-N 2 1 302.437 3.458 20 0 DGADMP C[C@H](C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC001208904983 1092578152 /nfs/dbraw/zinc/57/81/52/1092578152.db2.gz KVBYCBUTDWELAS-KBMXLJTQSA-N 2 1 312.379 3.249 20 0 DGADMP CCC(=O)C(C)(C)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208916459 1092585358 /nfs/dbraw/zinc/58/53/58/1092585358.db2.gz JMYCWWJKAWNEGI-QZTJIDSGSA-N 2 1 314.473 3.056 20 0 DGADMP CCO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938973 1092598656 /nfs/dbraw/zinc/59/86/56/1092598656.db2.gz ALXCLCVGDRJLAB-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938973 1092598668 /nfs/dbraw/zinc/59/86/68/1092598668.db2.gz ALXCLCVGDRJLAB-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938973 1092598677 /nfs/dbraw/zinc/59/86/77/1092598677.db2.gz ALXCLCVGDRJLAB-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938399 1092599667 /nfs/dbraw/zinc/59/96/67/1092599667.db2.gz BXZTVVMKMNQBLM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938399 1092599675 /nfs/dbraw/zinc/59/96/75/1092599675.db2.gz BXZTVVMKMNQBLM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938399 1092599693 /nfs/dbraw/zinc/59/96/93/1092599693.db2.gz BXZTVVMKMNQBLM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938399 1092599701 /nfs/dbraw/zinc/59/97/01/1092599701.db2.gz BXZTVVMKMNQBLM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP Oc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942005 1092602253 /nfs/dbraw/zinc/60/22/53/1092602253.db2.gz OECYZUCDOBFYEQ-GOSISDBHSA-N 2 1 322.452 3.272 20 0 DGADMP Oc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942005 1092602261 /nfs/dbraw/zinc/60/22/61/1092602261.db2.gz OECYZUCDOBFYEQ-GOSISDBHSA-N 2 1 322.452 3.272 20 0 DGADMP Oc1ccc2c(c1)CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942005 1092602265 /nfs/dbraw/zinc/60/22/65/1092602265.db2.gz OECYZUCDOBFYEQ-GOSISDBHSA-N 2 1 322.452 3.272 20 0 DGADMP Oc1ccc2c(c1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942005 1092602272 /nfs/dbraw/zinc/60/22/72/1092602272.db2.gz OECYZUCDOBFYEQ-GOSISDBHSA-N 2 1 322.452 3.272 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@]4(CCO4)C3)C2)cc1 ZINC001208940257 1092604094 /nfs/dbraw/zinc/60/40/94/1092604094.db2.gz QPNORQBOSVCWNZ-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@]4(CCO4)C3)C2)cc1 ZINC001208940257 1092604095 /nfs/dbraw/zinc/60/40/95/1092604095.db2.gz QPNORQBOSVCWNZ-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@]4(CCO4)C3)C2)cc1 ZINC001208940257 1092604101 /nfs/dbraw/zinc/60/41/01/1092604101.db2.gz QPNORQBOSVCWNZ-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@]4(C3)CCCCO4)C2)cc1 ZINC001208940352 1092604187 /nfs/dbraw/zinc/60/41/87/1092604187.db2.gz BTPTUTGUQBSFEI-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@]4(C3)CCCCO4)C2)cc1 ZINC001208940352 1092604193 /nfs/dbraw/zinc/60/41/93/1092604193.db2.gz BTPTUTGUQBSFEI-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@]4(C3)CCCCO4)C2)cc1 ZINC001208940352 1092604197 /nfs/dbraw/zinc/60/41/97/1092604197.db2.gz BTPTUTGUQBSFEI-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP CCOC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947395 1092605212 /nfs/dbraw/zinc/60/52/12/1092605212.db2.gz BMILIVLULZCYKD-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943798 1092606455 /nfs/dbraw/zinc/60/64/55/1092606455.db2.gz UXPQNONXMTVQPY-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943798 1092606457 /nfs/dbraw/zinc/60/64/57/1092606457.db2.gz UXPQNONXMTVQPY-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208943798 1092606460 /nfs/dbraw/zinc/60/64/60/1092606460.db2.gz UXPQNONXMTVQPY-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948516 1092606483 /nfs/dbraw/zinc/60/64/83/1092606483.db2.gz QYGMXBMPASRRBA-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948516 1092606486 /nfs/dbraw/zinc/60/64/86/1092606486.db2.gz QYGMXBMPASRRBA-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948516 1092606492 /nfs/dbraw/zinc/60/64/92/1092606492.db2.gz QYGMXBMPASRRBA-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948516 1092606494 /nfs/dbraw/zinc/60/64/94/1092606494.db2.gz QYGMXBMPASRRBA-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169264186 1092607124 /nfs/dbraw/zinc/60/71/24/1092607124.db2.gz IYAORTINVDUZHK-GOSISDBHSA-N 2 1 316.445 3.094 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169264186 1092607129 /nfs/dbraw/zinc/60/71/29/1092607129.db2.gz IYAORTINVDUZHK-GOSISDBHSA-N 2 1 316.445 3.094 20 0 DGADMP c1cnn(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208952466 1092608278 /nfs/dbraw/zinc/60/82/78/1092608278.db2.gz JOHWGQGCJQIGHR-IBGZPJMESA-N 2 1 324.472 3.042 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Oc3ccccc3OC)CC2)CC1 ZINC001169266199 1092609264 /nfs/dbraw/zinc/60/92/64/1092609264.db2.gz UIXXZRDVTKFWEO-UHFFFAOYSA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC001169255340 1092619018 /nfs/dbraw/zinc/61/90/18/1092619018.db2.gz PZZMRHNGDOBXFA-UHFFFAOYSA-N 2 1 306.425 3.153 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001169258957 1092621173 /nfs/dbraw/zinc/62/11/73/1092621173.db2.gz WGDXCYQUTBXHMS-QGZVFWFLSA-N 2 1 305.491 3.122 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001169258957 1092621181 /nfs/dbraw/zinc/62/11/81/1092621181.db2.gz WGDXCYQUTBXHMS-QGZVFWFLSA-N 2 1 305.491 3.122 20 0 DGADMP COCCC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209050127 1092634937 /nfs/dbraw/zinc/63/49/37/1092634937.db2.gz LCHBIHSYOYOGKX-FHWLQOOXSA-N 2 1 302.462 3.133 20 0 DGADMP COCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209050127 1092634941 /nfs/dbraw/zinc/63/49/41/1092634941.db2.gz LCHBIHSYOYOGKX-FHWLQOOXSA-N 2 1 302.462 3.133 20 0 DGADMP COCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209050127 1092634946 /nfs/dbraw/zinc/63/49/46/1092634946.db2.gz LCHBIHSYOYOGKX-FHWLQOOXSA-N 2 1 302.462 3.133 20 0 DGADMP CCOC(C)(C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209077927 1092643653 /nfs/dbraw/zinc/64/36/53/1092643653.db2.gz SJUJEJVOAMOPAI-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP CCOC(C)(C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209077927 1092643658 /nfs/dbraw/zinc/64/36/58/1092643658.db2.gz SJUJEJVOAMOPAI-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP CCOC(C)(C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209077927 1092643663 /nfs/dbraw/zinc/64/36/63/1092643663.db2.gz SJUJEJVOAMOPAI-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209090533 1092647572 /nfs/dbraw/zinc/64/75/72/1092647572.db2.gz COXNDFXEURRKEI-UHFFFAOYSA-N 2 1 312.498 3.306 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209090533 1092647578 /nfs/dbraw/zinc/64/75/78/1092647578.db2.gz COXNDFXEURRKEI-UHFFFAOYSA-N 2 1 312.498 3.306 20 0 DGADMP COC(=O)CCCCCCCCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC001209094953 1092649228 /nfs/dbraw/zinc/64/92/28/1092649228.db2.gz MSSDBORBPZJMAK-SFHVURJKSA-N 2 1 324.509 3.450 20 0 DGADMP Fc1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001209108291 1092654723 /nfs/dbraw/zinc/65/47/23/1092654723.db2.gz DSKVVKZLHIESBF-UHFFFAOYSA-N 2 1 319.811 3.239 20 0 DGADMP C[C@H]1C[C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)c2ccccc21 ZINC001169369121 1092657234 /nfs/dbraw/zinc/65/72/34/1092657234.db2.gz YZMONQGBLIBHBL-WMLDXEAASA-N 2 1 308.429 3.152 20 0 DGADMP Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276624176 1092695500 /nfs/dbraw/zinc/69/55/00/1092695500.db2.gz SLUOCAYVQCZLCI-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276624176 1092695507 /nfs/dbraw/zinc/69/55/07/1092695507.db2.gz SLUOCAYVQCZLCI-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276624176 1092695514 /nfs/dbraw/zinc/69/55/14/1092695514.db2.gz SLUOCAYVQCZLCI-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP COCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209223821 1092701598 /nfs/dbraw/zinc/70/15/98/1092701598.db2.gz PGOHZBJXDWGAQC-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209223821 1092701606 /nfs/dbraw/zinc/70/16/06/1092701606.db2.gz PGOHZBJXDWGAQC-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209223821 1092701613 /nfs/dbraw/zinc/70/16/13/1092701613.db2.gz PGOHZBJXDWGAQC-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP c1ccc(COCCCC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001209261821 1092717793 /nfs/dbraw/zinc/71/77/93/1092717793.db2.gz VKVUQBQTEPRWII-UHFFFAOYSA-N 2 1 302.462 3.154 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001206631830 1092726915 /nfs/dbraw/zinc/72/69/15/1092726915.db2.gz ANAXADNGKZHZFO-CYBMUJFWSA-N 2 1 316.367 3.454 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001206631952 1092727655 /nfs/dbraw/zinc/72/76/55/1092727655.db2.gz DOGRDCLKAPIBEI-CQSZACIVSA-N 2 1 318.852 3.087 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC001209321006 1092734201 /nfs/dbraw/zinc/73/42/01/1092734201.db2.gz OESVAUOZGRNQKX-UHFFFAOYSA-N 2 1 321.468 3.344 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001276635573 1092740645 /nfs/dbraw/zinc/74/06/45/1092740645.db2.gz OYAROUHRIZINMG-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276635573 1092740653 /nfs/dbraw/zinc/74/06/53/1092740653.db2.gz OYAROUHRIZINMG-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP COCc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276635573 1092740664 /nfs/dbraw/zinc/74/06/64/1092740664.db2.gz OYAROUHRIZINMG-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCOCc3ccccc3)C2)C1 ZINC001276637573 1092744513 /nfs/dbraw/zinc/74/45/13/1092744513.db2.gz FNBFKJSYZQSRBM-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CSc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cn1 ZINC001276638595 1092747458 /nfs/dbraw/zinc/74/74/58/1092747458.db2.gz ZMRISRRUGRZRIY-UHFFFAOYSA-N 2 1 305.491 3.111 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209410413 1092763221 /nfs/dbraw/zinc/76/32/21/1092763221.db2.gz PAGNWDFTSDRJTL-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209410413 1092763230 /nfs/dbraw/zinc/76/32/30/1092763230.db2.gz PAGNWDFTSDRJTL-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209410413 1092763236 /nfs/dbraw/zinc/76/32/36/1092763236.db2.gz PAGNWDFTSDRJTL-MOPGFXCFSA-N 2 1 316.489 3.255 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncs2)CC3)co1 ZINC001209549158 1092817672 /nfs/dbraw/zinc/81/76/72/1092817672.db2.gz KCTYEUBMUZXDFF-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP Cc1[nH]c2ncccc2c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209586856 1092839559 /nfs/dbraw/zinc/83/95/59/1092839559.db2.gz FSQHHQMTDUJGQU-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4ncc(Cl)cc34)C2)CC1 ZINC001209598696 1092843764 /nfs/dbraw/zinc/84/37/64/1092843764.db2.gz DIKYESTWMCSYDB-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1OC(C)C ZINC001276661097 1092862572 /nfs/dbraw/zinc/86/25/72/1092862572.db2.gz QPFGZCKUWIOIPY-AYHJJNSGSA-N 2 1 302.462 3.497 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1OC(C)C ZINC001276661097 1092862581 /nfs/dbraw/zinc/86/25/81/1092862581.db2.gz QPFGZCKUWIOIPY-AYHJJNSGSA-N 2 1 302.462 3.497 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660062 1092866400 /nfs/dbraw/zinc/86/64/00/1092866400.db2.gz ZICFHXWTKOHNQM-QGZVFWFLSA-N 2 1 303.837 3.349 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660062 1092866404 /nfs/dbraw/zinc/86/64/04/1092866404.db2.gz ZICFHXWTKOHNQM-QGZVFWFLSA-N 2 1 303.837 3.349 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660062 1092866409 /nfs/dbraw/zinc/86/64/09/1092866409.db2.gz ZICFHXWTKOHNQM-QGZVFWFLSA-N 2 1 303.837 3.349 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001209660062 1092866416 /nfs/dbraw/zinc/86/64/16/1092866416.db2.gz ZICFHXWTKOHNQM-QGZVFWFLSA-N 2 1 303.837 3.349 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4cc(F)ccc34)C2)CC1 ZINC001209694200 1092881721 /nfs/dbraw/zinc/88/17/21/1092881721.db2.gz KFQZZVQAAYYNGA-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@@H]2C1 ZINC001209720182 1092891264 /nfs/dbraw/zinc/89/12/64/1092891264.db2.gz HNQMEYMRYPGXKB-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641045 1092895030 /nfs/dbraw/zinc/89/50/30/1092895030.db2.gz RMMMHMUAFWECRY-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641045 1092895035 /nfs/dbraw/zinc/89/50/35/1092895035.db2.gz RMMMHMUAFWECRY-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641047 1092895815 /nfs/dbraw/zinc/89/58/15/1092895815.db2.gz RMMMHMUAFWECRY-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641047 1092895818 /nfs/dbraw/zinc/89/58/18/1092895818.db2.gz RMMMHMUAFWECRY-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3[nH]nc4ccc(Cl)cc43)C2)CC1 ZINC001209757994 1092907026 /nfs/dbraw/zinc/90/70/26/1092907026.db2.gz DWQKAHZYPGZLGZ-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3n[nH]c4ccc(Cl)cc43)C2)CC1 ZINC001209757994 1092907033 /nfs/dbraw/zinc/90/70/33/1092907033.db2.gz DWQKAHZYPGZLGZ-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3n[nH]c4ccc(Cl)cc43)C2)CC1 ZINC001209757994 1092907039 /nfs/dbraw/zinc/90/70/39/1092907039.db2.gz DWQKAHZYPGZLGZ-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP c1cc2cc(Nc3c[nH+]ccc3N3CCOCC3)ccc2c[nH+]1 ZINC001210047276 1093027229 /nfs/dbraw/zinc/02/72/29/1093027229.db2.gz VJNHMZREYHJUIQ-UHFFFAOYSA-N 2 1 306.369 3.210 20 0 DGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210790149 1093283074 /nfs/dbraw/zinc/28/30/74/1093283074.db2.gz VFRPNZAHUWKHLJ-LKGOPFMKSA-N 2 1 323.525 3.045 20 0 DGADMP CCCC[C@@H](CC)CN1CC2(C1)C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001276695916 1093411659 /nfs/dbraw/zinc/41/16/59/1093411659.db2.gz IIZUKPIYMPCRBU-GOSISDBHSA-N 2 1 321.553 3.162 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC1CC[NH+](C)CC1 ZINC001276696005 1093416818 /nfs/dbraw/zinc/41/68/18/1093416818.db2.gz JEDTZXRLKSQKOR-YSIASYRMSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+]2CC1CC[NH+](C)CC1 ZINC001276696005 1093416824 /nfs/dbraw/zinc/41/68/24/1093416824.db2.gz JEDTZXRLKSQKOR-YSIASYRMSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+]2CC1CC[NH+](C)CC1 ZINC001276696005 1093416829 /nfs/dbraw/zinc/41/68/29/1093416829.db2.gz JEDTZXRLKSQKOR-YSIASYRMSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@H](CC)CN1C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001276708800 1093722126 /nfs/dbraw/zinc/72/21/26/1093722126.db2.gz CIVGNRNONXPQPA-YSIASYRMSA-N 2 1 321.553 3.209 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001276708800 1093722133 /nfs/dbraw/zinc/72/21/33/1093722133.db2.gz CIVGNRNONXPQPA-YSIASYRMSA-N 2 1 321.553 3.209 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001276708800 1093722140 /nfs/dbraw/zinc/72/21/40/1093722140.db2.gz CIVGNRNONXPQPA-YSIASYRMSA-N 2 1 321.553 3.209 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CC3CC[NH2+]CC3)C2)C1 ZINC001276709641 1093735244 /nfs/dbraw/zinc/73/52/44/1093735244.db2.gz MKKLTYIVDIMCAR-GOSISDBHSA-N 2 1 321.553 3.210 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001276709641 1093735248 /nfs/dbraw/zinc/73/52/48/1093735248.db2.gz MKKLTYIVDIMCAR-GOSISDBHSA-N 3 1 321.553 3.210 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001276709641 1093735253 /nfs/dbraw/zinc/73/52/53/1093735253.db2.gz MKKLTYIVDIMCAR-GOSISDBHSA-N 3 1 321.553 3.210 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(CC3CC[NH2+]CC3)C2)C1 ZINC001276709642 1093735446 /nfs/dbraw/zinc/73/54/46/1093735446.db2.gz MKKLTYIVDIMCAR-SFHVURJKSA-N 2 1 321.553 3.210 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001276709642 1093735453 /nfs/dbraw/zinc/73/54/53/1093735453.db2.gz MKKLTYIVDIMCAR-SFHVURJKSA-N 3 1 321.553 3.210 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001276709642 1093735463 /nfs/dbraw/zinc/73/54/63/1093735463.db2.gz MKKLTYIVDIMCAR-SFHVURJKSA-N 3 1 321.553 3.210 20 0 DGADMP C[C@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303393163 1093808929 /nfs/dbraw/zinc/80/89/29/1093808929.db2.gz JZKBIOVHSXUDSF-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303393163 1093808933 /nfs/dbraw/zinc/80/89/33/1093808933.db2.gz JZKBIOVHSXUDSF-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303394503 1093808994 /nfs/dbraw/zinc/80/89/94/1093808994.db2.gz UHZHYASFHYFHOY-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000401692644 1093964840 /nfs/dbraw/zinc/96/48/40/1093964840.db2.gz HTGPVTFLICPIKT-UHFFFAOYSA-N 2 1 321.424 3.331 20 0 DGADMP C[NH2+]Cc1cccc(Nc2c(C)[nH+]c3ccc(F)cn32)c1F ZINC001216223248 1094150864 /nfs/dbraw/zinc/15/08/64/1094150864.db2.gz OHNLZDVQJILVSS-UHFFFAOYSA-N 2 1 302.328 3.384 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001276753634 1094351360 /nfs/dbraw/zinc/35/13/60/1094351360.db2.gz JARKKCADQMVKIZ-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170784810 1094368595 /nfs/dbraw/zinc/36/85/95/1094368595.db2.gz LJOPKHIMAFSYTH-FZMUQLTDSA-N 2 1 323.525 3.093 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@H]2C1 ZINC001120072321 1094370370 /nfs/dbraw/zinc/37/03/70/1094370370.db2.gz UAJDMNUVRVYILN-IPMKNSEASA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)C[C@H]2C1 ZINC001120070983 1094370874 /nfs/dbraw/zinc/37/08/74/1094370874.db2.gz DZQSYHCKDHHJMG-GUDVDZBRSA-N 2 1 312.457 3.125 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208211 1094389490 /nfs/dbraw/zinc/38/94/90/1094389490.db2.gz VPAIMNAUVFVQTQ-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP CC(C)(C)[C@@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217697188 1094474225 /nfs/dbraw/zinc/47/42/25/1094474225.db2.gz YFJDGFLSHWGUTE-CABCVRRESA-N 2 1 314.433 3.105 20 0 DGADMP CC(C)(C)[C@@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217697188 1094474231 /nfs/dbraw/zinc/47/42/31/1094474231.db2.gz YFJDGFLSHWGUTE-CABCVRRESA-N 2 1 314.433 3.105 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](OCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217766771 1094491858 /nfs/dbraw/zinc/49/18/58/1094491858.db2.gz XSMIQIAVXHMJHA-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP [NH3+]Cc1ccccc1CO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217822379 1094500423 /nfs/dbraw/zinc/50/04/23/1094500423.db2.gz FFSQDCCDOPUPQF-HXUWFJFHSA-N 2 1 310.441 3.327 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276765029 1094518594 /nfs/dbraw/zinc/51/85/94/1094518594.db2.gz PKOQIUNJDYDEFK-KRWDZBQOSA-N 2 1 310.526 3.372 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](Nc3cc[nH+]cc3)C2)cc1 ZINC001120779631 1094522583 /nfs/dbraw/zinc/52/25/83/1094522583.db2.gz KUOPVKTUUSCABC-MRXNPFEDSA-N 2 1 321.346 3.209 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217967351 1094533926 /nfs/dbraw/zinc/53/39/26/1094533926.db2.gz REYJCKUPSNWSKH-DYESRHJHSA-N 2 1 324.468 3.477 20 0 DGADMP CC[C@]1(c2cccc(O[C@@H]3C[NH2+]C[C@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001218034503 1094571871 /nfs/dbraw/zinc/57/18/71/1094571871.db2.gz TZBPLVGHAPVSAH-AHRSYUTCSA-N 2 1 316.489 3.437 20 0 DGADMP CC[C@@]1(c2cccc(O[C@@H]3C[NH2+]C[C@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001218034505 1094571895 /nfs/dbraw/zinc/57/18/95/1094571895.db2.gz TZBPLVGHAPVSAH-NSISKUIASA-N 2 1 316.489 3.437 20 0 DGADMP c1nc2ccc(C[NH+]3CCC4(C[NH+](C5CCCC5)C4)CC3)cc2[nH]1 ZINC001276770332 1094604332 /nfs/dbraw/zinc/60/43/32/1094604332.db2.gz KCXVKIABFANFGH-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@H]4CCCOCC4)C3)C2)cc1 ZINC001170831774 1094609007 /nfs/dbraw/zinc/60/90/07/1094609007.db2.gz SLBYHHRKMHWNRO-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@H]4CCCOCC4)C3)C2)cc1 ZINC001170831774 1094609013 /nfs/dbraw/zinc/60/90/13/1094609013.db2.gz SLBYHHRKMHWNRO-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@H]4CCCOCC4)C3)C2)cc1 ZINC001170831774 1094609021 /nfs/dbraw/zinc/60/90/21/1094609021.db2.gz SLBYHHRKMHWNRO-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c[nH]c4c3cccc4F)C[C@H]2CC1 ZINC001276770880 1094609166 /nfs/dbraw/zinc/60/91/66/1094609166.db2.gz WJOUSKHQCFECPN-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c[nH]c4c3cccc4F)C[C@H]2CC1 ZINC001276770880 1094609171 /nfs/dbraw/zinc/60/91/71/1094609171.db2.gz WJOUSKHQCFECPN-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c[nH]c4c3cccc4F)C[C@H]2CC1 ZINC001276770880 1094609176 /nfs/dbraw/zinc/60/91/76/1094609176.db2.gz WJOUSKHQCFECPN-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001336284953 1094614126 /nfs/dbraw/zinc/61/41/26/1094614126.db2.gz FIQCAOMKIACYDO-OCCSQVGLSA-N 2 1 318.852 3.147 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001336284950 1094614708 /nfs/dbraw/zinc/61/47/08/1094614708.db2.gz FIQCAOMKIACYDO-GXTWGEPZSA-N 2 1 318.852 3.147 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135861634 1094721395 /nfs/dbraw/zinc/72/13/95/1094721395.db2.gz UXTRLOALNIYWQG-CVEARBPZSA-N 2 1 313.530 3.027 20 0 DGADMP c1ccc2c(c1)CN1CC[C@H](Oc3cccc4c3CC[NH2+]C4)C1=[NH+]2 ZINC001218358906 1094735553 /nfs/dbraw/zinc/73/55/53/1094735553.db2.gz GYNGWNCUFNGTRL-IBGZPJMESA-N 2 1 319.408 3.029 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@H]2C1 ZINC001336889264 1094774494 /nfs/dbraw/zinc/77/44/94/1094774494.db2.gz QKQFWKIJWGQDPZ-KBAYOESNSA-N 2 1 309.457 3.397 20 0 DGADMP [NH3+]Cc1ccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC001218440446 1094774858 /nfs/dbraw/zinc/77/48/58/1094774858.db2.gz DPQPYSNSSQLUBQ-HMXCVIKNSA-N 2 1 322.452 3.435 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001135991644 1094783112 /nfs/dbraw/zinc/78/31/12/1094783112.db2.gz HYYVENZPLDNNAI-DLBZAZTESA-N 2 1 323.525 3.092 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1N ZINC000310406087 1094926501 /nfs/dbraw/zinc/92/65/01/1094926501.db2.gz LRJRQUONUFCLBX-JENIJYKNSA-N 2 1 322.456 3.295 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941391 1094975774 /nfs/dbraw/zinc/97/57/74/1094975774.db2.gz DKRRODDEFHKBDX-CRAIPNDOSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941391 1094975784 /nfs/dbraw/zinc/97/57/84/1094975784.db2.gz DKRRODDEFHKBDX-CRAIPNDOSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941391 1094975796 /nfs/dbraw/zinc/97/57/96/1094975796.db2.gz DKRRODDEFHKBDX-CRAIPNDOSA-N 2 1 304.865 3.225 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000313718830 1095015589 /nfs/dbraw/zinc/01/55/89/1095015589.db2.gz VEBHSLVPWLBHMD-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000313718830 1095015602 /nfs/dbraw/zinc/01/56/02/1095015602.db2.gz VEBHSLVPWLBHMD-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000314709580 1095061601 /nfs/dbraw/zinc/06/16/01/1095061601.db2.gz LWYZEKMLALBTAD-LBPRGKRZSA-N 2 1 302.340 3.146 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000314709580 1095061615 /nfs/dbraw/zinc/06/16/15/1095061615.db2.gz LWYZEKMLALBTAD-LBPRGKRZSA-N 2 1 302.340 3.146 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171056165 1095213885 /nfs/dbraw/zinc/21/38/85/1095213885.db2.gz KSMSIPZMGJTPGO-RVKKMQEKSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(OCC(F)F)cc3)C[C@H]2C1 ZINC001136942068 1095246120 /nfs/dbraw/zinc/24/61/20/1095246120.db2.gz SLZJQIXTFZOTQE-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC001136942068 1095246134 /nfs/dbraw/zinc/24/61/34/1095246134.db2.gz SLZJQIXTFZOTQE-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC001136942068 1095246141 /nfs/dbraw/zinc/24/61/41/1095246141.db2.gz SLZJQIXTFZOTQE-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC001136942068 1095246147 /nfs/dbraw/zinc/24/61/47/1095246147.db2.gz SLZJQIXTFZOTQE-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC001136942068 1095246162 /nfs/dbraw/zinc/24/61/62/1095246162.db2.gz SLZJQIXTFZOTQE-IYBDPMFKSA-N 2 1 324.415 3.104 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)C[C@H]2C1 ZINC001136942067 1095246764 /nfs/dbraw/zinc/24/67/64/1095246764.db2.gz SLZJQIXTFZOTQE-HZPDHXFCSA-N 2 1 324.415 3.104 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171072589 1095260511 /nfs/dbraw/zinc/26/05/11/1095260511.db2.gz KBPMUCPRXSNPER-ZWNOBZJWSA-N 2 1 301.261 3.377 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)C[C@H]2C1 ZINC001136987454 1095272032 /nfs/dbraw/zinc/27/20/32/1095272032.db2.gz YGSDKRRLKRXQRY-HUUCEWRRSA-N 2 1 301.409 3.081 20 0 DGADMP Cc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c2[nH+]ccn2c1 ZINC001171095396 1095339349 /nfs/dbraw/zinc/33/93/49/1095339349.db2.gz SPLYULMEKHTMAV-CQSZACIVSA-N 2 1 316.408 3.403 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001171100150 1095361919 /nfs/dbraw/zinc/36/19/19/1095361919.db2.gz OHQIEFXAHBLUHA-QGZVFWFLSA-N 2 1 304.865 3.414 20 0 DGADMP Clc1ccc2[nH]c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC001222141542 1095453145 /nfs/dbraw/zinc/45/31/45/1095453145.db2.gz ODMUPKVWTRZGER-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC001222141542 1095453152 /nfs/dbraw/zinc/45/31/52/1095453152.db2.gz ODMUPKVWTRZGER-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP c1ccc(COCCCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222142205 1095453969 /nfs/dbraw/zinc/45/39/69/1095453969.db2.gz WSYAQWWBLCEDJM-FQEVSTJZSA-N 2 1 316.489 3.449 20 0 DGADMP COc1ccccc1CC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153920 1095460218 /nfs/dbraw/zinc/46/02/18/1095460218.db2.gz CQKWCJKLUAMJMY-HXUWFJFHSA-N 2 1 316.489 3.484 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171123330 1095461254 /nfs/dbraw/zinc/46/12/54/1095461254.db2.gz VCHIICQEJOOYIV-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171123330 1095461260 /nfs/dbraw/zinc/46/12/60/1095461260.db2.gz VCHIICQEJOOYIV-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171123330 1095461266 /nfs/dbraw/zinc/46/12/66/1095461266.db2.gz VCHIICQEJOOYIV-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1COC2 ZINC001222160651 1095466609 /nfs/dbraw/zinc/46/66/09/1095466609.db2.gz HUPLUAJDQNPEGA-HXUWFJFHSA-N 2 1 314.473 3.463 20 0 DGADMP c1[nH+]c(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)n2ccccc12 ZINC001222161905 1095468596 /nfs/dbraw/zinc/46/85/96/1095468596.db2.gz SPWJMJHDFPMPIW-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP c1[nH]nc2ccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc12 ZINC001222167883 1095472634 /nfs/dbraw/zinc/47/26/34/1095472634.db2.gz ULFCTFHVFRCRTL-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167230 1095472677 /nfs/dbraw/zinc/47/26/77/1095472677.db2.gz IKSLWWREWREQLM-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167230 1095472678 /nfs/dbraw/zinc/47/26/78/1095472678.db2.gz IKSLWWREWREQLM-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP Cc1ccc(O)cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171746 1095475472 /nfs/dbraw/zinc/47/54/72/1095475472.db2.gz FCFHWIOJOIZFQZ-LJQANCHMSA-N 2 1 302.462 3.446 20 0 DGADMP c1cn2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)ccc2n1 ZINC001222168215 1095476818 /nfs/dbraw/zinc/47/68/18/1095476818.db2.gz XYTJSJKBFPWLDB-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP Nc1c(F)cccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173061 1095478862 /nfs/dbraw/zinc/47/88/62/1095478862.db2.gz QHRZOZYGAJXMPF-SFHVURJKSA-N 2 1 305.441 3.154 20 0 DGADMP Nc1c(F)cccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173061 1095478869 /nfs/dbraw/zinc/47/88/69/1095478869.db2.gz QHRZOZYGAJXMPF-SFHVURJKSA-N 2 1 305.441 3.154 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222242831 1095507461 /nfs/dbraw/zinc/50/74/61/1095507461.db2.gz GVWYVBPATBCSQB-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222242831 1095507471 /nfs/dbraw/zinc/50/74/71/1095507471.db2.gz GVWYVBPATBCSQB-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171139572 1095514468 /nfs/dbraw/zinc/51/44/68/1095514468.db2.gz OPKWXRINQBYART-FZMZJTMJSA-N 2 1 313.272 3.392 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259132 1095515227 /nfs/dbraw/zinc/51/52/27/1095515227.db2.gz KXUAYOGPIIANTL-MJGOQNOKSA-N 2 1 310.526 3.419 20 0 DGADMP Fc1ccc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265401 1095520223 /nfs/dbraw/zinc/52/02/23/1095520223.db2.gz SVQOFZQZVAAGIG-QGZVFWFLSA-N 2 1 310.844 3.487 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265401 1095520235 /nfs/dbraw/zinc/52/02/35/1095520235.db2.gz SVQOFZQZVAAGIG-QGZVFWFLSA-N 2 1 310.844 3.487 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222271752 1095522909 /nfs/dbraw/zinc/52/29/09/1095522909.db2.gz JCTWJVYYDUYYCN-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC001222272366 1095522968 /nfs/dbraw/zinc/52/29/68/1095522968.db2.gz SGBFIYXBULXOMA-LJQANCHMSA-N 2 1 302.462 3.278 20 0 DGADMP CCc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc(CC)c1O ZINC001222271504 1095523830 /nfs/dbraw/zinc/52/38/30/1095523830.db2.gz GZRXNLGYQHXEFO-FQEVSTJZSA-N 2 1 316.489 3.483 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc(CC)c1O ZINC001222271504 1095523843 /nfs/dbraw/zinc/52/38/43/1095523843.db2.gz GZRXNLGYQHXEFO-FQEVSTJZSA-N 2 1 316.489 3.483 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)n1 ZINC001222315502 1095545227 /nfs/dbraw/zinc/54/52/27/1095545227.db2.gz NVKMYJFFXIPJOP-LJQANCHMSA-N 2 1 317.477 3.367 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379998 1095581101 /nfs/dbraw/zinc/58/11/01/1095581101.db2.gz PSMKFESFVWXVLL-MRXNPFEDSA-N 2 1 300.490 3.458 20 0 DGADMP CC1=CC[C@H](CC[N@H+]2CCOCC3(CC[NH2+]CC3)C2)C1(C)C ZINC001222400798 1095596537 /nfs/dbraw/zinc/59/65/37/1095596537.db2.gz IAXYXICYCGSQRL-QGZVFWFLSA-N 2 1 306.494 3.071 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407643 1095600165 /nfs/dbraw/zinc/60/01/65/1095600165.db2.gz LIAHGFZJIDAZRO-UHFFFAOYSA-N 2 1 322.880 3.159 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(O)cc1C(F)(F)F ZINC001144392051 1095631123 /nfs/dbraw/zinc/63/11/23/1095631123.db2.gz MDNBDWBBLBYZNC-UHFFFAOYSA-N 2 1 313.323 3.130 20 0 DGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC001116711698 1095640291 /nfs/dbraw/zinc/64/02/91/1095640291.db2.gz YVFOLNUCOVQEBS-GOSISDBHSA-N 2 1 316.493 3.142 20 0 DGADMP C[NH+]1CCC(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC001222503822 1095643285 /nfs/dbraw/zinc/64/32/85/1095643285.db2.gz HGCHGEMNYXCGMN-RUYXUALKSA-N 2 1 314.473 3.008 20 0 DGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cscn2)CC3)co1 ZINC001137594819 1095684230 /nfs/dbraw/zinc/68/42/30/1095684230.db2.gz SJRHURDNHQDTJB-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cscn2)CC3)co1 ZINC001137594819 1095684235 /nfs/dbraw/zinc/68/42/35/1095684235.db2.gz SJRHURDNHQDTJB-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C)cc1O ZINC001222602280 1095687314 /nfs/dbraw/zinc/68/73/14/1095687314.db2.gz MNORONSMXOCTLG-LJQANCHMSA-N 2 1 322.452 3.198 20 0 DGADMP COc1c(C)cccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615667 1095696416 /nfs/dbraw/zinc/69/64/16/1095696416.db2.gz QZRDPCJVUBPMEN-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP COc1c(C)cccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615667 1095696423 /nfs/dbraw/zinc/69/64/23/1095696423.db2.gz QZRDPCJVUBPMEN-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620440 1095698046 /nfs/dbraw/zinc/69/80/46/1095698046.db2.gz SCTLFJGHECGCKM-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222623165 1095698675 /nfs/dbraw/zinc/69/86/75/1095698675.db2.gz DHSUUTQMLPOPSY-DFGXFYAUSA-N 2 1 304.865 3.375 20 0 DGADMP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629947 1095699782 /nfs/dbraw/zinc/69/97/82/1095699782.db2.gz SRWSHYVSEJCPTF-GASCZTMLSA-N 2 1 306.425 3.046 20 0 DGADMP Clc1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC001222624359 1095701110 /nfs/dbraw/zinc/70/11/10/1095701110.db2.gz YRXXDZJQVDBTQD-OKILXGFUSA-N 2 1 313.272 3.467 20 0 DGADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C)[nH+]c(C)c2)cc1 ZINC001116930181 1095703440 /nfs/dbraw/zinc/70/34/40/1095703440.db2.gz QBJSRSCTSBLMNZ-UHFFFAOYSA-N 2 1 311.429 3.214 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137709984 1095720115 /nfs/dbraw/zinc/72/01/15/1095720115.db2.gz LIMOVAFSTCIOJP-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137709984 1095720124 /nfs/dbraw/zinc/72/01/24/1095720124.db2.gz LIMOVAFSTCIOJP-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137709984 1095720139 /nfs/dbraw/zinc/72/01/39/1095720139.db2.gz LIMOVAFSTCIOJP-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001117643711 1095790507 /nfs/dbraw/zinc/79/05/07/1095790507.db2.gz OLMGHTFKKIYDAW-UHFFFAOYSA-N 2 1 314.477 3.251 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4scnc4c3)C2)CC1 ZINC001144743199 1095800708 /nfs/dbraw/zinc/80/07/08/1095800708.db2.gz DFSRBPQEWZVALJ-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001276859969 1095831119 /nfs/dbraw/zinc/83/11/19/1095831119.db2.gz DBGVOBHLIMNIEO-HXUWFJFHSA-N 2 1 313.489 3.499 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001276859969 1095831135 /nfs/dbraw/zinc/83/11/35/1095831135.db2.gz DBGVOBHLIMNIEO-HXUWFJFHSA-N 2 1 313.489 3.499 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001276859969 1095831152 /nfs/dbraw/zinc/83/11/52/1095831152.db2.gz DBGVOBHLIMNIEO-HXUWFJFHSA-N 2 1 313.489 3.499 20 0 DGADMP CCCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC001118314935 1095982288 /nfs/dbraw/zinc/98/22/88/1095982288.db2.gz DUURMLMCIMLAPF-ZCNNSNEGSA-N 2 1 316.489 3.500 20 0 DGADMP Brc1ccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246823550 1095998321 /nfs/dbraw/zinc/99/83/21/1095998321.db2.gz PXYIMJHUNOYPOX-GOEBONIOSA-N 2 1 323.278 3.381 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001146593142 1096066988 /nfs/dbraw/zinc/06/69/88/1096066988.db2.gz OEZLCJHPPQHIBB-SJORKVTESA-N 2 1 323.525 3.090 20 0 DGADMP Cn1cc(-c2ccc(CNC[C@@H]3CC[N@@H+]3C3CCCC3)cc2)cn1 ZINC001118859958 1096094320 /nfs/dbraw/zinc/09/43/20/1096094320.db2.gz HDEIOUQCAMLXMV-FQEVSTJZSA-N 2 1 324.472 3.194 20 0 DGADMP Cn1cc(-c2ccc(CNC[C@@H]3CC[N@H+]3C3CCCC3)cc2)cn1 ZINC001118859958 1096094332 /nfs/dbraw/zinc/09/43/32/1096094332.db2.gz HDEIOUQCAMLXMV-FQEVSTJZSA-N 2 1 324.472 3.194 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]CCn1cc[nH+]c1C)CC2 ZINC001171294444 1096165401 /nfs/dbraw/zinc/16/54/01/1096165401.db2.gz SYPPCQBQDBQALO-CYBMUJFWSA-N 2 1 319.836 3.001 20 0 DGADMP C[NH+]1CCC(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224451203 1096214610 /nfs/dbraw/zinc/21/46/10/1096214610.db2.gz TXPHZCQQQCEPMH-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC001119629864 1096237475 /nfs/dbraw/zinc/23/74/75/1096237475.db2.gz BIMBUJUAYAGUPX-FZCLSBEQSA-N 2 1 316.493 3.208 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688806 1096245496 /nfs/dbraw/zinc/24/54/96/1096245496.db2.gz KYRYFIQBYYBRCM-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688806 1096245502 /nfs/dbraw/zinc/24/55/02/1096245502.db2.gz KYRYFIQBYYBRCM-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC[NH+]1CCCC1 ZINC001224744346 1096276409 /nfs/dbraw/zinc/27/64/09/1096276409.db2.gz JRJJXJIKIRMMCU-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCC[NH+]1CCCC1 ZINC001224748353 1096277776 /nfs/dbraw/zinc/27/77/76/1096277776.db2.gz OMBKOXAEDCQIEW-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC001171314713 1096280610 /nfs/dbraw/zinc/28/06/10/1096280610.db2.gz FSNMWDATKSAUBS-XNJGSVPQSA-N 2 1 322.880 3.136 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC001171314713 1096280616 /nfs/dbraw/zinc/28/06/16/1096280616.db2.gz FSNMWDATKSAUBS-XNJGSVPQSA-N 2 1 322.880 3.136 20 0 DGADMP CC[N@H+]1CCC[C@@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224825831 1096294047 /nfs/dbraw/zinc/29/40/47/1096294047.db2.gz MKEDHGDFMQDAEC-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224825831 1096294055 /nfs/dbraw/zinc/29/40/55/1096294055.db2.gz MKEDHGDFMQDAEC-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224825831 1096294060 /nfs/dbraw/zinc/29/40/60/1096294060.db2.gz MKEDHGDFMQDAEC-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001224827355 1096295472 /nfs/dbraw/zinc/29/54/72/1096295472.db2.gz UWAQWRPNPPCTNM-ICSRJNTNSA-N 2 1 314.473 3.009 20 0 DGADMP CC[NH+](CC)CCO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001224925827 1096315310 /nfs/dbraw/zinc/31/53/10/1096315310.db2.gz UXGOFZXBKAIUEA-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)CCCCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224990881 1096330518 /nfs/dbraw/zinc/33/05/18/1096330518.db2.gz IBVFZRUNXRYDIK-MRXNPFEDSA-N 2 1 310.869 3.273 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc[nH+]c(C)c1 ZINC001277064189 1096503752 /nfs/dbraw/zinc/50/37/52/1096503752.db2.gz HKCYGKAHCYUFQF-HOTGVXAUSA-N 2 1 314.458 3.008 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171352176 1096522054 /nfs/dbraw/zinc/52/20/54/1096522054.db2.gz XHMVWVKWHVJEHG-LUKYLMHMSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171352176 1096522064 /nfs/dbraw/zinc/52/20/64/1096522064.db2.gz XHMVWVKWHVJEHG-LUKYLMHMSA-N 2 1 320.427 3.427 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171379865 1096613585 /nfs/dbraw/zinc/61/35/85/1096613585.db2.gz ILCDTDGNXWEUIB-MRXNPFEDSA-N 2 1 308.416 3.238 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171379865 1096613589 /nfs/dbraw/zinc/61/35/89/1096613589.db2.gz ILCDTDGNXWEUIB-MRXNPFEDSA-N 2 1 308.416 3.238 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c(F)cccc3C1)C2 ZINC001171404328 1096674687 /nfs/dbraw/zinc/67/46/87/1096674687.db2.gz INAQUHNOSXMRGD-WCXIOVBPSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c(F)cccc3C1)C2 ZINC001171404328 1096674691 /nfs/dbraw/zinc/67/46/91/1096674691.db2.gz INAQUHNOSXMRGD-WCXIOVBPSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c(F)cccc3C1)C2 ZINC001171407474 1096677639 /nfs/dbraw/zinc/67/76/39/1096677639.db2.gz INAQUHNOSXMRGD-LUKYLMHMSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c(F)cccc3C1)C2 ZINC001171407474 1096677642 /nfs/dbraw/zinc/67/76/42/1096677642.db2.gz INAQUHNOSXMRGD-LUKYLMHMSA-N 2 1 302.437 3.288 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)[C@H](C)C1 ZINC001171419913 1096717715 /nfs/dbraw/zinc/71/77/15/1096717715.db2.gz WYXVCHQDWSFTHQ-OGWOLHLISA-N 2 1 304.453 3.391 20 0 DGADMP CCOc1cc(C)ccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277164528 1096809292 /nfs/dbraw/zinc/80/92/92/1096809292.db2.gz BEVCNGWRZMATKP-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539298 1096910118 /nfs/dbraw/zinc/91/01/18/1096910118.db2.gz RTSLXRDCYUBKKE-ZBKUBXTQSA-N 2 1 323.525 3.092 20 0 DGADMP Cc1cccc2c1CC[C@@H]([N@H+]1Cc3ccccc3C[C@@H]1CN)C2 ZINC001171563009 1096924453 /nfs/dbraw/zinc/92/44/53/1096924453.db2.gz BSHQKNLXQUFJIY-WOJBJXKFSA-N 2 1 306.453 3.238 20 0 DGADMP Cc1cccc2c1CC[C@@H](N1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001171563009 1096924457 /nfs/dbraw/zinc/92/44/57/1096924457.db2.gz BSHQKNLXQUFJIY-WOJBJXKFSA-N 2 1 306.453 3.238 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1(C)C ZINC001171628956 1096929830 /nfs/dbraw/zinc/92/98/30/1096929830.db2.gz NAAFGRBEXQDMRX-MRXNPFEDSA-N 3 1 309.542 3.479 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1(C)C ZINC001171628954 1096929980 /nfs/dbraw/zinc/92/99/80/1096929980.db2.gz NAAFGRBEXQDMRX-INIZCTEOSA-N 3 1 309.542 3.479 20 0 DGADMP CC(C)c1nc(CC[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)no1 ZINC001171632266 1096931588 /nfs/dbraw/zinc/93/15/88/1096931588.db2.gz YEXIGVPLJPXJFY-UHFFFAOYSA-N 2 1 322.497 3.319 20 0 DGADMP CC(C)c1nc(CC[N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)no1 ZINC001171632266 1096931593 /nfs/dbraw/zinc/93/15/93/1096931593.db2.gz YEXIGVPLJPXJFY-UHFFFAOYSA-N 2 1 322.497 3.319 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637432 1096947925 /nfs/dbraw/zinc/94/79/25/1096947925.db2.gz NFEDHQNXAMDTJI-QGZVFWFLSA-N 2 1 317.477 3.186 20 0 DGADMP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171727346 1096955423 /nfs/dbraw/zinc/95/54/23/1096955423.db2.gz BYBHRJOHXWEWJX-CRAIPNDOSA-N 2 1 308.429 3.049 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171726817 1096955474 /nfs/dbraw/zinc/95/54/74/1096955474.db2.gz KAMUJPRNPYTYKB-LSTHTHJFSA-N 2 1 321.468 3.039 20 0 DGADMP CCN([C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171758651 1096963892 /nfs/dbraw/zinc/96/38/92/1096963892.db2.gz ZRBXUPNCJQKSDU-FXAWDEMLSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H](Nc2cccc(CC[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171733998 1096970716 /nfs/dbraw/zinc/97/07/16/1096970716.db2.gz LBXXHTYCFGYEOZ-JXFKEZNVSA-N 2 1 309.457 3.263 20 0 DGADMP CCCc1cc(C[NH3+])nn1[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735979 1096972047 /nfs/dbraw/zinc/97/20/47/1096972047.db2.gz ZQRZWHYCTBXQSI-KXBFYZLASA-N 2 1 312.461 3.130 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171809693 1096984555 /nfs/dbraw/zinc/98/45/55/1096984555.db2.gz LGDGEUFTWLAHBA-MRXNPFEDSA-N 2 1 302.437 3.243 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001171860749 1096993150 /nfs/dbraw/zinc/99/31/50/1096993150.db2.gz JHQMRXQOXDMMEC-WBVHZDCISA-N 2 1 323.525 3.066 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCCCCO)CC[N@H+]1Cc1ccccc1 ZINC001171966254 1097008512 /nfs/dbraw/zinc/00/85/12/1097008512.db2.gz UJMYUCWYDNUNSK-SFHVURJKSA-N 2 1 304.478 3.182 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001171944367 1097014371 /nfs/dbraw/zinc/01/43/71/1097014371.db2.gz OLCINRNHLQJMOD-YKHUIQPLSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001171944367 1097014374 /nfs/dbraw/zinc/01/43/74/1097014374.db2.gz OLCINRNHLQJMOD-YKHUIQPLSA-N 2 1 322.493 3.103 20 0 DGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970048 1097019883 /nfs/dbraw/zinc/01/98/83/1097019883.db2.gz XOGYWUQLQMUKTC-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970048 1097019889 /nfs/dbraw/zinc/01/98/89/1097019889.db2.gz XOGYWUQLQMUKTC-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970048 1097019894 /nfs/dbraw/zinc/01/98/94/1097019894.db2.gz XOGYWUQLQMUKTC-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970048 1097019898 /nfs/dbraw/zinc/01/98/98/1097019898.db2.gz XOGYWUQLQMUKTC-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970048 1097019903 /nfs/dbraw/zinc/01/99/03/1097019903.db2.gz XOGYWUQLQMUKTC-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171971503 1097020989 /nfs/dbraw/zinc/02/09/89/1097020989.db2.gz IRFAOTUDEMWOEN-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975143 1097023438 /nfs/dbraw/zinc/02/34/38/1097023438.db2.gz LEBOEXSFDDGIBI-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC(C3COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974958 1097023478 /nfs/dbraw/zinc/02/34/78/1097023478.db2.gz BFEQUPUTXACVQZ-LJQANCHMSA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975784 1097023744 /nfs/dbraw/zinc/02/37/44/1097023744.db2.gz FYOQBWIAUTYQLQ-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975784 1097023748 /nfs/dbraw/zinc/02/37/48/1097023748.db2.gz FYOQBWIAUTYQLQ-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975784 1097023749 /nfs/dbraw/zinc/02/37/49/1097023749.db2.gz FYOQBWIAUTYQLQ-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976755 1097024817 /nfs/dbraw/zinc/02/48/17/1097024817.db2.gz NLHKWHULGAAGQM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976755 1097024821 /nfs/dbraw/zinc/02/48/21/1097024821.db2.gz NLHKWHULGAAGQM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976755 1097024828 /nfs/dbraw/zinc/02/48/28/1097024828.db2.gz NLHKWHULGAAGQM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976755 1097024835 /nfs/dbraw/zinc/02/48/35/1097024835.db2.gz NLHKWHULGAAGQM-OALUTQOASA-N 2 1 316.489 3.134 20 0 DGADMP CN([C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987863 1097029128 /nfs/dbraw/zinc/02/91/28/1097029128.db2.gz KYEMSLLLPPHNOH-RBUKOAKNSA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987863 1097029131 /nfs/dbraw/zinc/02/91/31/1097029131.db2.gz KYEMSLLLPPHNOH-RBUKOAKNSA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987863 1097029136 /nfs/dbraw/zinc/02/91/36/1097029136.db2.gz KYEMSLLLPPHNOH-RBUKOAKNSA-N 2 1 315.505 3.066 20 0 DGADMP CC1(C)C[C@@H]([NH+]2C[C@@H]3CCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988029 1097030446 /nfs/dbraw/zinc/03/04/46/1097030446.db2.gz OAJIVGNISTUNBZ-GBESFXJTSA-N 2 1 314.473 3.150 20 0 DGADMP CN([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C[NH3+] ZINC001172073428 1097038086 /nfs/dbraw/zinc/03/80/86/1097038086.db2.gz QOMJBGSNZAXRDV-BWTSREIZSA-N 2 1 315.505 3.241 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CCCOC2)C3)cc1 ZINC001172062309 1097042072 /nfs/dbraw/zinc/04/20/72/1097042072.db2.gz MDMMUPGOJWTFPV-HAGHYFMRSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@@H]2CCCOC2)C3)cc1 ZINC001172062311 1097042181 /nfs/dbraw/zinc/04/21/81/1097042181.db2.gz MDMMUPGOJWTFPV-WTGUMLROSA-N 2 1 314.473 3.341 20 0 DGADMP CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)COC1 ZINC001172064653 1097043780 /nfs/dbraw/zinc/04/37/80/1097043780.db2.gz IMMVPOHWPDNMRI-REPLKXPHSA-N 2 1 314.473 3.341 20 0 DGADMP CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC001172064653 1097043786 /nfs/dbraw/zinc/04/37/86/1097043786.db2.gz IMMVPOHWPDNMRI-REPLKXPHSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cncnc2)C3)cc1 ZINC001172066175 1097044799 /nfs/dbraw/zinc/04/47/99/1097044799.db2.gz UMQCITBDSXAGQL-OWZKRDHZSA-N 2 1 322.456 3.152 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cncnc2)C3)cc1 ZINC001172066175 1097044803 /nfs/dbraw/zinc/04/48/03/1097044803.db2.gz UMQCITBDSXAGQL-OWZKRDHZSA-N 2 1 322.456 3.152 20 0 DGADMP CCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069626 1097046408 /nfs/dbraw/zinc/04/64/08/1097046408.db2.gz VYIXQBHONPXGPC-REPLKXPHSA-N 2 1 302.462 3.198 20 0 DGADMP [NH3+]Cc1cncn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068290 1097046603 /nfs/dbraw/zinc/04/66/03/1097046603.db2.gz PZMBVSMKOVQQQN-PIIMJCKOSA-N 2 1 310.445 3.100 20 0 DGADMP Cc1ccn2cc(CN(C)[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nc2c1 ZINC001172132036 1097050931 /nfs/dbraw/zinc/05/09/31/1097050931.db2.gz JLRZEXGCGZGUEM-BCDXTJNWSA-N 2 1 312.461 3.090 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ncccc1F)C1CC1)C2 ZINC001172110851 1097056233 /nfs/dbraw/zinc/05/62/33/1097056233.db2.gz QBCVOBBLPFHGAM-IVSAIRAKSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ncccc1F)C1CC1)C2 ZINC001172110851 1097056237 /nfs/dbraw/zinc/05/62/37/1097056237.db2.gz QBCVOBBLPFHGAM-IVSAIRAKSA-N 2 1 303.425 3.277 20 0 DGADMP COc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172111321 1097056532 /nfs/dbraw/zinc/05/65/32/1097056532.db2.gz QBZNGFAULQBHNI-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172111321 1097056538 /nfs/dbraw/zinc/05/65/38/1097056538.db2.gz QBZNGFAULQBHNI-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)c1ccc(F)cn1)C2 ZINC001172111256 1097056632 /nfs/dbraw/zinc/05/66/32/1097056632.db2.gz OYWWTEVVAIEHBM-PHZGNYQRSA-N 2 1 305.441 3.103 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CSc3ccccc3C1)C2 ZINC001172111195 1097056850 /nfs/dbraw/zinc/05/68/50/1097056850.db2.gz TYLXKIHECZSXEP-WCXIOVBPSA-N 2 1 302.487 3.308 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CSc3ccccc3C1)C2 ZINC001172111195 1097056854 /nfs/dbraw/zinc/05/68/54/1097056854.db2.gz TYLXKIHECZSXEP-WCXIOVBPSA-N 2 1 302.487 3.308 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109034 1097057604 /nfs/dbraw/zinc/05/76/04/1097057604.db2.gz BOQRRQSAPRXDFD-DFGXFYAUSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccnc(F)c1)C1CC1)C2 ZINC001172109034 1097057610 /nfs/dbraw/zinc/05/76/10/1097057610.db2.gz BOQRRQSAPRXDFD-DFGXFYAUSA-N 2 1 303.425 3.277 20 0 DGADMP COC(=O)CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001172112620 1097058194 /nfs/dbraw/zinc/05/81/94/1097058194.db2.gz YJYBPDLJDXLGBB-BJWYYQGGSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172112837 1097058337 /nfs/dbraw/zinc/05/83/37/1097058337.db2.gz ANIOPVOWKYPEJN-BASYENTBSA-N 2 1 316.445 3.124 20 0 DGADMP CCC(CC)[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112881 1097059820 /nfs/dbraw/zinc/05/98/20/1097059820.db2.gz CRHWNZGWZCIEGT-LUPIEILUSA-N 2 1 307.526 3.244 20 0 DGADMP COc1cnccc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172114680 1097061060 /nfs/dbraw/zinc/06/10/60/1097061060.db2.gz SECGAWFPZQTAEQ-YYAJDYIMSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[NH+](CC3CCCCC3)C1)C2 ZINC001172114731 1097061158 /nfs/dbraw/zinc/06/11/58/1097061158.db2.gz PLTQJFWAVQOEJR-HAGHYFMRSA-N 2 1 319.537 3.246 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@H+](CC3CCCCC3)C1)C2 ZINC001172114731 1097061161 /nfs/dbraw/zinc/06/11/61/1097061161.db2.gz PLTQJFWAVQOEJR-HAGHYFMRSA-N 2 1 319.537 3.246 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001172114731 1097061168 /nfs/dbraw/zinc/06/11/68/1097061168.db2.gz PLTQJFWAVQOEJR-HAGHYFMRSA-N 2 1 319.537 3.246 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114639 1097061732 /nfs/dbraw/zinc/06/17/32/1097061732.db2.gz RPGWWUXZRUIEOQ-JJXSEGSLSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114639 1097061737 /nfs/dbraw/zinc/06/17/37/1097061737.db2.gz RPGWWUXZRUIEOQ-JJXSEGSLSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114639 1097061743 /nfs/dbraw/zinc/06/17/43/1097061743.db2.gz RPGWWUXZRUIEOQ-JJXSEGSLSA-N 2 1 324.465 3.028 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206157350 1097062388 /nfs/dbraw/zinc/06/23/88/1097062388.db2.gz YCMAYELUAMDWRL-GJZGRUSLSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206157350 1097062391 /nfs/dbraw/zinc/06/23/91/1097062391.db2.gz YCMAYELUAMDWRL-GJZGRUSLSA-N 2 1 318.358 3.399 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCOc1cccc(F)c1)C2 ZINC001172117058 1097063481 /nfs/dbraw/zinc/06/34/81/1097063481.db2.gz KDFSFPCNZPBALM-BJWYYQGGSA-N 2 1 306.425 3.200 20 0 DGADMP CSc1ccccc1OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118901 1097064991 /nfs/dbraw/zinc/06/49/91/1097064991.db2.gz UGCZRUZIJJFQFS-MUJYYYPQSA-N 2 1 320.502 3.392 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120874 1097065308 /nfs/dbraw/zinc/06/53/08/1097065308.db2.gz GRMQLXUOAPQJHK-VNTMZGSJSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120874 1097065313 /nfs/dbraw/zinc/06/53/13/1097065313.db2.gz GRMQLXUOAPQJHK-VNTMZGSJSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120874 1097065319 /nfs/dbraw/zinc/06/53/19/1097065319.db2.gz GRMQLXUOAPQJHK-VNTMZGSJSA-N 2 1 319.537 3.342 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](OCc3ccccc3)C1)C2 ZINC001172122662 1097066490 /nfs/dbraw/zinc/06/64/90/1097066490.db2.gz RUBJCXTXAXEKIF-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](OCc3ccccc3)C1)C2 ZINC001172122662 1097066493 /nfs/dbraw/zinc/06/64/93/1097066493.db2.gz RUBJCXTXAXEKIF-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](OCc3ccccc3)C1)C2 ZINC001172122662 1097066499 /nfs/dbraw/zinc/06/64/99/1097066499.db2.gz RUBJCXTXAXEKIF-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1CCC(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC001172124102 1097066710 /nfs/dbraw/zinc/06/67/10/1097066710.db2.gz JKUAPVPTBCDQDQ-ACDBMABISA-N 3 1 319.537 3.056 20 0 DGADMP C[NH+]1CCC(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001172124102 1097066715 /nfs/dbraw/zinc/06/67/15/1097066715.db2.gz JKUAPVPTBCDQDQ-ACDBMABISA-N 3 1 319.537 3.056 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)CCc2ccccc2Cl)CC1 ZINC001172254279 1097092033 /nfs/dbraw/zinc/09/20/33/1097092033.db2.gz CHBOMGPQMZBRGC-UHFFFAOYSA-N 2 1 324.896 3.315 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)CCc2ccccc2Cl)CC1 ZINC001172254279 1097092039 /nfs/dbraw/zinc/09/20/39/1097092039.db2.gz CHBOMGPQMZBRGC-UHFFFAOYSA-N 2 1 324.896 3.315 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001172253529 1097092194 /nfs/dbraw/zinc/09/21/94/1097092194.db2.gz STLVQBIUOKFBQV-IBGZPJMESA-N 2 1 316.489 3.367 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001172253529 1097092198 /nfs/dbraw/zinc/09/21/98/1097092198.db2.gz STLVQBIUOKFBQV-IBGZPJMESA-N 2 1 316.489 3.367 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001172249629 1097092602 /nfs/dbraw/zinc/09/26/02/1097092602.db2.gz LYEKJVWEQMTGFS-MRXNPFEDSA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001172249629 1097092608 /nfs/dbraw/zinc/09/26/08/1097092608.db2.gz LYEKJVWEQMTGFS-MRXNPFEDSA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001172256708 1097093447 /nfs/dbraw/zinc/09/34/47/1097093447.db2.gz DAAOCPYIXCNWNK-IBGZPJMESA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001172256708 1097093450 /nfs/dbraw/zinc/09/34/50/1097093450.db2.gz DAAOCPYIXCNWNK-IBGZPJMESA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001172256199 1097093880 /nfs/dbraw/zinc/09/38/80/1097093880.db2.gz ROQURXOSMPRZMT-MRXNPFEDSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001172256199 1097093887 /nfs/dbraw/zinc/09/38/87/1097093887.db2.gz ROQURXOSMPRZMT-MRXNPFEDSA-N 2 1 320.452 3.116 20 0 DGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172317494 1097099128 /nfs/dbraw/zinc/09/91/28/1097099128.db2.gz BXHNARQVVMHXOX-FLFBIERCSA-N 2 1 316.489 3.300 20 0 DGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172317494 1097099136 /nfs/dbraw/zinc/09/91/36/1097099136.db2.gz BXHNARQVVMHXOX-FLFBIERCSA-N 2 1 316.489 3.300 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378599 1097113747 /nfs/dbraw/zinc/11/37/47/1097113747.db2.gz PKUXFXJCMYDRFR-ZACQAIPSSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378599 1097113751 /nfs/dbraw/zinc/11/37/51/1097113751.db2.gz PKUXFXJCMYDRFR-ZACQAIPSSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378599 1097113753 /nfs/dbraw/zinc/11/37/53/1097113753.db2.gz PKUXFXJCMYDRFR-ZACQAIPSSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378599 1097113756 /nfs/dbraw/zinc/11/37/56/1097113756.db2.gz PKUXFXJCMYDRFR-ZACQAIPSSA-N 2 1 318.509 3.364 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1F ZINC001206164010 1097115877 /nfs/dbraw/zinc/11/58/77/1097115877.db2.gz IOJBMFILXNXVKS-HUUCEWRRSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1F ZINC001206164010 1097115881 /nfs/dbraw/zinc/11/58/81/1097115881.db2.gz IOJBMFILXNXVKS-HUUCEWRRSA-N 2 1 305.422 3.071 20 0 DGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172335907 1097116836 /nfs/dbraw/zinc/11/68/36/1097116836.db2.gz LEAJKOLAKWIFLF-HZPDHXFCSA-N 3 1 315.546 3.055 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C ZINC001172359622 1097124869 /nfs/dbraw/zinc/12/48/69/1097124869.db2.gz KVNGZMSXLAFVRE-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172409679 1097131606 /nfs/dbraw/zinc/13/16/06/1097131606.db2.gz BCTDVPUWXVIROU-LNLFQRSKSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172409679 1097131607 /nfs/dbraw/zinc/13/16/07/1097131607.db2.gz BCTDVPUWXVIROU-LNLFQRSKSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172433494 1097140151 /nfs/dbraw/zinc/14/01/51/1097140151.db2.gz QKEXBQMFXRULNE-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172433494 1097140154 /nfs/dbraw/zinc/14/01/54/1097140154.db2.gz QKEXBQMFXRULNE-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172433494 1097140157 /nfs/dbraw/zinc/14/01/57/1097140157.db2.gz QKEXBQMFXRULNE-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172437992 1097154217 /nfs/dbraw/zinc/15/42/17/1097154217.db2.gz YJUNOMFPQFDILO-BHIYHBOVSA-N 2 1 319.493 3.357 20 0 DGADMP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172442469 1097156320 /nfs/dbraw/zinc/15/63/20/1097156320.db2.gz KDEPSYVSTDVINQ-GOSISDBHSA-N 2 1 318.505 3.487 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172763484 1097233515 /nfs/dbraw/zinc/23/35/15/1097233515.db2.gz JRXJZGFMUMEOJL-INIZCTEOSA-N 2 1 312.498 3.159 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927048 1097283596 /nfs/dbraw/zinc/28/35/96/1097283596.db2.gz CWEXDKJYRRBEFS-OWYHZJEWSA-N 2 1 317.477 3.111 20 0 DGADMP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229461969 1097326392 /nfs/dbraw/zinc/32/63/92/1097326392.db2.gz HHYFEIILQNUOTG-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCOC(=O)C[C@@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173108364 1097331571 /nfs/dbraw/zinc/33/15/71/1097331571.db2.gz DBJWAUOHQLSUDA-AOCRQIFASA-N 2 1 324.509 3.305 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001173113482 1097333275 /nfs/dbraw/zinc/33/32/75/1097333275.db2.gz QKNKFGXJPYFQJJ-VIQWUECVSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cnc(OC)cc3C2)CC1 ZINC001173117845 1097333929 /nfs/dbraw/zinc/33/39/29/1097333929.db2.gz ZRVBDTXJCHAWGH-UHFFFAOYSA-N 2 1 317.477 3.101 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173121045 1097335614 /nfs/dbraw/zinc/33/56/14/1097335614.db2.gz LWZRUDIYONLBOI-CVEARBPZSA-N 2 1 315.486 3.283 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001173169527 1097363734 /nfs/dbraw/zinc/36/37/34/1097363734.db2.gz PERWKZWFSWGNIP-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001173169527 1097363736 /nfs/dbraw/zinc/36/37/36/1097363736.db2.gz PERWKZWFSWGNIP-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001173266030 1097389745 /nfs/dbraw/zinc/38/97/45/1097389745.db2.gz XRBHSRDJUPBJFJ-QFBILLFUSA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271598 1097390812 /nfs/dbraw/zinc/39/08/12/1097390812.db2.gz HISDNBPOLFHBCS-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271598 1097390816 /nfs/dbraw/zinc/39/08/16/1097390816.db2.gz HISDNBPOLFHBCS-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284372 1097414214 /nfs/dbraw/zinc/41/42/14/1097414214.db2.gz ZHRSBEPYSMDUAM-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)C1 ZINC001173284372 1097414217 /nfs/dbraw/zinc/41/42/17/1097414217.db2.gz ZHRSBEPYSMDUAM-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001173284372 1097414222 /nfs/dbraw/zinc/41/42/22/1097414222.db2.gz ZHRSBEPYSMDUAM-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001173284372 1097414225 /nfs/dbraw/zinc/41/42/25/1097414225.db2.gz ZHRSBEPYSMDUAM-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3ccc(Br)cc32)C1 ZINC001173354025 1097430570 /nfs/dbraw/zinc/43/05/70/1097430570.db2.gz VIQODBFLLBUGQF-ZDUSSCGKSA-N 2 1 322.250 3.129 20 0 DGADMP CC[N@H+]1CC[C@@H](n2c3ccccc3nc2[C@H]([NH3+])CC(C)C)C1 ZINC001173361123 1097432769 /nfs/dbraw/zinc/43/27/69/1097432769.db2.gz RZZXOQXPCQESAO-HUUCEWRRSA-N 2 1 300.450 3.349 20 0 DGADMP [NH3+]CCC[N@@H+](C1Cc2cc(F)c(F)cc2C1)C1CCCCC1 ZINC001173476282 1097444742 /nfs/dbraw/zinc/44/47/42/1097444742.db2.gz WJJBAVWDMXXDGA-UHFFFAOYSA-N 2 1 308.416 3.416 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001173454507 1097451378 /nfs/dbraw/zinc/45/13/78/1097451378.db2.gz FGYYERQXJWRAPX-MRXNPFEDSA-N 2 1 312.498 3.161 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001173458634 1097453212 /nfs/dbraw/zinc/45/32/12/1097453212.db2.gz XCUZIPYXTVJCSA-OKZBNKHCSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173458634 1097453216 /nfs/dbraw/zinc/45/32/16/1097453216.db2.gz XCUZIPYXTVJCSA-OKZBNKHCSA-N 2 1 324.509 3.447 20 0 DGADMP COC(=O)CCCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001173458634 1097453219 /nfs/dbraw/zinc/45/32/19/1097453219.db2.gz XCUZIPYXTVJCSA-OKZBNKHCSA-N 2 1 324.509 3.447 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173599569 1097469361 /nfs/dbraw/zinc/46/93/61/1097469361.db2.gz PIRFNCBBVYFIDL-HFCFLWKCSA-N 2 1 324.509 3.210 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173622619 1097473245 /nfs/dbraw/zinc/47/32/45/1097473245.db2.gz MDINKUFEFBNYRN-XMTFNYHQSA-N 2 1 324.509 3.066 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206213915 1097500252 /nfs/dbraw/zinc/50/02/52/1097500252.db2.gz WQEKUFUPWKFTMD-ROUUACIJSA-N 2 1 308.441 3.352 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206213915 1097500256 /nfs/dbraw/zinc/50/02/56/1097500256.db2.gz WQEKUFUPWKFTMD-ROUUACIJSA-N 2 1 308.441 3.352 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001231516247 1097769441 /nfs/dbraw/zinc/76/94/41/1097769441.db2.gz FRBGCNFEILVGEZ-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP CC(C)Oc1ncccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001231759297 1097833705 /nfs/dbraw/zinc/83/37/05/1097833705.db2.gz YLVHTPFDCDBDGN-UHFFFAOYSA-N 2 1 319.493 3.421 20 0 DGADMP COC(C)(C)C[N@H+]1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001277584286 1097886450 /nfs/dbraw/zinc/88/64/50/1097886450.db2.gz DPIYCPKBHBYXNJ-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001231971857 1097903306 /nfs/dbraw/zinc/90/33/06/1097903306.db2.gz ZQXSMFUZOBZMTL-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3c[nH]nc32)CC1 ZINC001231974938 1097904770 /nfs/dbraw/zinc/90/47/70/1097904770.db2.gz WFRHBPLTKVLOKY-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001232014643 1097917919 /nfs/dbraw/zinc/91/79/19/1097917919.db2.gz UKKVAISHBYKPIT-QGZVFWFLSA-N 2 1 311.360 3.355 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)on1 ZINC001277606534 1097928833 /nfs/dbraw/zinc/92/88/33/1097928833.db2.gz YQUCRUCEMHKXRJ-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)on1 ZINC001277606534 1097928838 /nfs/dbraw/zinc/92/88/38/1097928838.db2.gz YQUCRUCEMHKXRJ-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)on1 ZINC001277606534 1097928843 /nfs/dbraw/zinc/92/88/43/1097928843.db2.gz YQUCRUCEMHKXRJ-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2ccncc2[nH]1 ZINC001232095394 1097938102 /nfs/dbraw/zinc/93/81/02/1097938102.db2.gz GEDNCTMFVHAYBX-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2ccncc2[nH]1 ZINC001232095394 1097938109 /nfs/dbraw/zinc/93/81/09/1097938109.db2.gz GEDNCTMFVHAYBX-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2ccncc2[nH]1 ZINC001232095394 1097938113 /nfs/dbraw/zinc/93/81/13/1097938113.db2.gz GEDNCTMFVHAYBX-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2ccncc2[nH]1 ZINC001232095394 1097938119 /nfs/dbraw/zinc/93/81/19/1097938119.db2.gz GEDNCTMFVHAYBX-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C3CC[NH+](C)CC3)C2)C1 ZINC001277624997 1097957743 /nfs/dbraw/zinc/95/77/43/1097957743.db2.gz NJQRNNUXINHAKB-GOSISDBHSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C1CC[NH+](C)CC1 ZINC001277625319 1097959214 /nfs/dbraw/zinc/95/92/14/1097959214.db2.gz UUVJFNPLHLCNMQ-HOJAQTOUSA-N 2 1 321.553 3.446 20 0 DGADMP C[NH+]1CCC(N[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)CC1 ZINC001277626816 1097961235 /nfs/dbraw/zinc/96/12/35/1097961235.db2.gz COUPQGUXDSBTIG-MOPGFXCFSA-N 2 1 305.510 3.048 20 0 DGADMP Cc1nc(N)ccc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001232345671 1098010285 /nfs/dbraw/zinc/01/02/85/1098010285.db2.gz KCSBWPSBSHSGPL-UHFFFAOYSA-N 2 1 316.493 3.201 20 0 DGADMP Cc1nc(N)ccc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001232345671 1098010292 /nfs/dbraw/zinc/01/02/92/1098010292.db2.gz KCSBWPSBSHSGPL-UHFFFAOYSA-N 2 1 316.493 3.201 20 0 DGADMP COc1[nH+]ccc(N)c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175362325 1098024909 /nfs/dbraw/zinc/02/49/09/1098024909.db2.gz LGFLOSDJPLUJFU-UHFFFAOYSA-N 2 1 312.417 3.402 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2nccc(Cl)c12 ZINC001232462072 1098044609 /nfs/dbraw/zinc/04/46/09/1098044609.db2.gz PHYCJPCJILODQK-UHFFFAOYSA-N 2 1 308.857 3.380 20 0 DGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528378 1098083814 /nfs/dbraw/zinc/08/38/14/1098083814.db2.gz FJOQEIFPUUROIA-MRXNPFEDSA-N 2 1 322.497 3.071 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cncc3cnccc32)CC1 ZINC001232651424 1098107719 /nfs/dbraw/zinc/10/77/19/1098107719.db2.gz PCCFNJAGKZTUBA-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902348 1098169297 /nfs/dbraw/zinc/16/92/97/1098169297.db2.gz BKAJGTKBJJLNMG-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902348 1098169298 /nfs/dbraw/zinc/16/92/98/1098169298.db2.gz BKAJGTKBJJLNMG-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902348 1098169301 /nfs/dbraw/zinc/16/93/01/1098169301.db2.gz BKAJGTKBJJLNMG-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902348 1098169302 /nfs/dbraw/zinc/16/93/02/1098169302.db2.gz BKAJGTKBJJLNMG-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP COc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccc21 ZINC001232949016 1098180584 /nfs/dbraw/zinc/18/05/84/1098180584.db2.gz FBWGVXKYVPQWCM-UHFFFAOYSA-N 2 1 313.445 3.017 20 0 DGADMP Cc1[nH+]c2ccccn2c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176224567 1098288130 /nfs/dbraw/zinc/28/81/30/1098288130.db2.gz XVHSMUMEZNXWPT-UHFFFAOYSA-N 2 1 310.401 3.327 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc4cccnc4s3)C[C@H]2C1 ZINC001233349880 1098299130 /nfs/dbraw/zinc/29/91/30/1098299130.db2.gz MGVWDTGZGGUVJT-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4cccnc4s3)C[C@@H]2C1 ZINC001233349880 1098299133 /nfs/dbraw/zinc/29/91/33/1098299133.db2.gz MGVWDTGZGGUVJT-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cccnc4s3)C[C@@H]2C1 ZINC001233349880 1098299136 /nfs/dbraw/zinc/29/91/36/1098299136.db2.gz MGVWDTGZGGUVJT-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cccnc4s3)C[C@@H]2C1 ZINC001233349880 1098299140 /nfs/dbraw/zinc/29/91/40/1098299140.db2.gz MGVWDTGZGGUVJT-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4cccnc4s3)C[C@@H]2C1 ZINC001233349880 1098299144 /nfs/dbraw/zinc/29/91/44/1098299144.db2.gz MGVWDTGZGGUVJT-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263202 1098308809 /nfs/dbraw/zinc/30/88/09/1098308809.db2.gz RAJRAVHLFLFYRL-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263202 1098308816 /nfs/dbraw/zinc/30/88/16/1098308816.db2.gz RAJRAVHLFLFYRL-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263202 1098308822 /nfs/dbraw/zinc/30/88/22/1098308822.db2.gz RAJRAVHLFLFYRL-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001206269741 1098323981 /nfs/dbraw/zinc/32/39/81/1098323981.db2.gz TYGNSGAUZHWFFK-LBPRGKRZSA-N 2 1 301.261 3.467 20 0 DGADMP CC(C)[N@@H+]1C[C@@H]2CCN(Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001277798895 1098402602 /nfs/dbraw/zinc/40/26/02/1098402602.db2.gz DKHRVTUNCXVZEA-IYBDPMFKSA-N 2 1 312.461 3.115 20 0 DGADMP CC(C)[N@H+]1C[C@@H]2CC[NH+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001277798895 1098402605 /nfs/dbraw/zinc/40/26/05/1098402605.db2.gz DKHRVTUNCXVZEA-IYBDPMFKSA-N 2 1 312.461 3.115 20 0 DGADMP CC(C)[N@@H+]1C[C@@H]2CC[NH+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001277798895 1098402606 /nfs/dbraw/zinc/40/26/06/1098402606.db2.gz DKHRVTUNCXVZEA-IYBDPMFKSA-N 2 1 312.461 3.115 20 0 DGADMP CC(C)[NH+]1C[C@@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001277798895 1098402608 /nfs/dbraw/zinc/40/26/08/1098402608.db2.gz DKHRVTUNCXVZEA-IYBDPMFKSA-N 2 1 312.461 3.115 20 0 DGADMP CC(C)[NH+]1C[C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001277798895 1098402610 /nfs/dbraw/zinc/40/26/10/1098402610.db2.gz DKHRVTUNCXVZEA-IYBDPMFKSA-N 2 1 312.461 3.115 20 0 DGADMP CC(C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4ccccc4[nH]3)(C1)CCC2 ZINC001277798862 1098402702 /nfs/dbraw/zinc/40/27/02/1098402702.db2.gz CXKBQCSTUXTGTO-MOPGFXCFSA-N 2 1 312.461 3.496 20 0 DGADMP CC[C@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)nn3C)(C1)CCC2 ZINC001277808831 1098433919 /nfs/dbraw/zinc/43/39/19/1098433919.db2.gz XXBYQZNXAUNJSB-QGTPRVQTSA-N 2 1 304.482 3.052 20 0 DGADMP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065938 1098470466 /nfs/dbraw/zinc/47/04/66/1098470466.db2.gz IBFNWYMCQVGACK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065938 1098470467 /nfs/dbraw/zinc/47/04/67/1098470467.db2.gz IBFNWYMCQVGACK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065938 1098470469 /nfs/dbraw/zinc/47/04/69/1098470469.db2.gz IBFNWYMCQVGACK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065938 1098470471 /nfs/dbraw/zinc/47/04/71/1098470471.db2.gz IBFNWYMCQVGACK-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001177638086 1098571992 /nfs/dbraw/zinc/57/19/92/1098571992.db2.gz SZMILLHLLHFEFY-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC001177912116 1098645160 /nfs/dbraw/zinc/64/51/60/1098645160.db2.gz MIYBJZLHTDOMIT-UHFFFAOYSA-N 2 1 323.444 3.256 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234970462 1098729691 /nfs/dbraw/zinc/72/96/91/1098729691.db2.gz IDZNKFBFNYNROW-WIYYLYMNSA-N 2 1 322.452 3.082 20 0 DGADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c(F)c1 ZINC001234981538 1098733506 /nfs/dbraw/zinc/73/35/06/1098733506.db2.gz NYEVXRXEEBMHNN-IYBDPMFKSA-N 2 1 314.379 3.283 20 0 DGADMP Clc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC001234980269 1098734647 /nfs/dbraw/zinc/73/46/47/1098734647.db2.gz JLGPRSFTZWEANV-IYBDPMFKSA-N 2 1 313.832 3.053 20 0 DGADMP Clc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC001234980269 1098734652 /nfs/dbraw/zinc/73/46/52/1098734652.db2.gz JLGPRSFTZWEANV-IYBDPMFKSA-N 2 1 313.832 3.053 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n(Cc2ccccc2)c1 ZINC001234997741 1098739932 /nfs/dbraw/zinc/73/99/32/1098739932.db2.gz FUOVMCYTDWZVIA-HXUWFJFHSA-N 2 1 309.457 3.112 20 0 DGADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n(Cc2ccccc2)c1 ZINC001234997741 1098739939 /nfs/dbraw/zinc/73/99/39/1098739939.db2.gz FUOVMCYTDWZVIA-HXUWFJFHSA-N 2 1 309.457 3.112 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235002811 1098745481 /nfs/dbraw/zinc/74/54/81/1098745481.db2.gz XMQCIOJZEAAXNU-FQEVSTJZSA-N 2 1 323.440 3.449 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235002811 1098745490 /nfs/dbraw/zinc/74/54/90/1098745490.db2.gz XMQCIOJZEAAXNU-FQEVSTJZSA-N 2 1 323.440 3.449 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001206318708 1098747862 /nfs/dbraw/zinc/74/78/62/1098747862.db2.gz SVALUXGMIBKAIP-ZDUSSCGKSA-N 2 1 317.296 3.462 20 0 DGADMP Brc1cccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235030003 1098760325 /nfs/dbraw/zinc/76/03/25/1098760325.db2.gz DGNNBJLLTZMJCK-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235036698 1098765512 /nfs/dbraw/zinc/76/55/12/1098765512.db2.gz MRNXUNSOALIQTB-IEBWSBKVSA-N 2 1 316.489 3.185 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041859 1098769990 /nfs/dbraw/zinc/76/99/90/1098769990.db2.gz UHDMIQFEPJVOGT-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001206325105 1098786313 /nfs/dbraw/zinc/78/63/13/1098786313.db2.gz FSVFRBMZSZDJLS-INIZCTEOSA-N 2 1 316.367 3.378 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091855 1098792653 /nfs/dbraw/zinc/79/26/53/1098792653.db2.gz DDQQXJZMDWNYLL-UHFFFAOYSA-N 2 1 312.379 3.323 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091730 1098793703 /nfs/dbraw/zinc/79/37/03/1098793703.db2.gz APXMQUXAVXZLCS-UHFFFAOYSA-N 2 1 303.837 3.397 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092239 1098794972 /nfs/dbraw/zinc/79/49/72/1098794972.db2.gz IXYUFFNOUKEKJX-UHFFFAOYSA-N 2 1 312.816 3.063 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235092979 1098796505 /nfs/dbraw/zinc/79/65/05/1098796505.db2.gz NCRNRNJKWTTWED-UHFFFAOYSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cc(C[N@@H+]2CCC23CC[NH2+]CC3)cc(C)c1OC(C)C ZINC001235104920 1098804981 /nfs/dbraw/zinc/80/49/81/1098804981.db2.gz ZMRKXDKDMZXFRC-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP Cc1cc(C[N@H+]2CCC23CC[NH2+]CC3)cc(C)c1OC(C)C ZINC001235104920 1098804992 /nfs/dbraw/zinc/80/49/92/1098804992.db2.gz ZMRKXDKDMZXFRC-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CNCCO3)C2)c2ccccc12 ZINC001235114523 1098815114 /nfs/dbraw/zinc/81/51/14/1098815114.db2.gz MFOWEXSHAPYORM-FQEVSTJZSA-N 2 1 310.441 3.103 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235140317 1098832558 /nfs/dbraw/zinc/83/25/58/1098832558.db2.gz JBIFSUWLDUHWBE-UHFFFAOYSA-N 2 1 314.351 3.303 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)cc2)cn1 ZINC001235151824 1098837917 /nfs/dbraw/zinc/83/79/17/1098837917.db2.gz BSJXMQHYDQVKQN-HXUWFJFHSA-N 2 1 324.472 3.226 20 0 DGADMP COc1ccc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235150861 1098838113 /nfs/dbraw/zinc/83/81/13/1098838113.db2.gz ARRJKXPADBSDMB-IBGZPJMESA-N 2 1 302.462 3.092 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(C)c1O ZINC001235152728 1098840093 /nfs/dbraw/zinc/84/00/93/1098840093.db2.gz IIMRTDVWPUIACJ-GOSISDBHSA-N 2 1 302.462 3.363 20 0 DGADMP CCc1ccccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001178464076 1098841193 /nfs/dbraw/zinc/84/11/93/1098841193.db2.gz WKNHWYWBMHDLNX-NRFANRHFSA-N 2 1 324.468 3.105 20 0 DGADMP [O-]c1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155089 1098841285 /nfs/dbraw/zinc/84/12/85/1098841285.db2.gz CJCQOHWMLLHWDM-OAHLLOKOSA-N 2 1 308.853 3.400 20 0 DGADMP Oc1cccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155089 1098841294 /nfs/dbraw/zinc/84/12/94/1098841294.db2.gz CJCQOHWMLLHWDM-OAHLLOKOSA-N 2 1 308.853 3.400 20 0 DGADMP Oc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155089 1098841306 /nfs/dbraw/zinc/84/13/06/1098841306.db2.gz CJCQOHWMLLHWDM-OAHLLOKOSA-N 2 1 308.853 3.400 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235163029 1098849164 /nfs/dbraw/zinc/84/91/64/1098849164.db2.gz ZFYJYHPCOJOQGT-SFHVURJKSA-N 2 1 317.477 3.223 20 0 DGADMP COc1ccccc1CCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170977 1098852489 /nfs/dbraw/zinc/85/24/89/1098852489.db2.gz IEBXJQOAFBSQOQ-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170977 1098852502 /nfs/dbraw/zinc/85/25/02/1098852502.db2.gz IEBXJQOAFBSQOQ-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccccc1CCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170978 1098853036 /nfs/dbraw/zinc/85/30/36/1098853036.db2.gz IEBXJQOAFBSQOQ-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170978 1098853044 /nfs/dbraw/zinc/85/30/44/1098853044.db2.gz IEBXJQOAFBSQOQ-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc1-2 ZINC001235183619 1098863225 /nfs/dbraw/zinc/86/32/25/1098863225.db2.gz CHVHPRCWMMZEEQ-MJGOQNOKSA-N 2 1 304.437 3.299 20 0 DGADMP COc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(C)c1C ZINC001235190488 1098866502 /nfs/dbraw/zinc/86/65/02/1098866502.db2.gz JQNRACCOKZCOHS-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235198221 1098871810 /nfs/dbraw/zinc/87/18/10/1098871810.db2.gz NZWHBTOYNJXUOS-IEBWSBKVSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ncc(Cl)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235226756 1098898640 /nfs/dbraw/zinc/89/86/40/1098898640.db2.gz FDXYYSGONTWHOE-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235231055 1098904388 /nfs/dbraw/zinc/90/43/88/1098904388.db2.gz MZHPQKUBCQJDIT-HOCLYGCPSA-N 2 1 312.379 3.394 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235231055 1098904394 /nfs/dbraw/zinc/90/43/94/1098904394.db2.gz MZHPQKUBCQJDIT-HOCLYGCPSA-N 2 1 312.379 3.394 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235231491 1098906475 /nfs/dbraw/zinc/90/64/75/1098906475.db2.gz RTGYIQITTFRWNG-QGZVFWFLSA-N 2 1 312.379 3.458 20 0 DGADMP COc1ccc(F)c(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235242073 1098916622 /nfs/dbraw/zinc/91/66/22/1098916622.db2.gz QQJXJCIBJBETQX-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC001235263618 1098935764 /nfs/dbraw/zinc/93/57/64/1098935764.db2.gz NJLXDLXFEYYYJG-OXJNMPFZSA-N 2 1 324.424 3.368 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC001235263618 1098935772 /nfs/dbraw/zinc/93/57/72/1098935772.db2.gz NJLXDLXFEYYYJG-OXJNMPFZSA-N 2 1 324.424 3.368 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265709 1098937035 /nfs/dbraw/zinc/93/70/35/1098937035.db2.gz DNCFBPYAMDJUMS-UKRRQHHQSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001235265709 1098937042 /nfs/dbraw/zinc/93/70/42/1098937042.db2.gz DNCFBPYAMDJUMS-UKRRQHHQSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc(C)c1-c1ccc(F)cc1 ZINC001235283749 1098941221 /nfs/dbraw/zinc/94/12/21/1098941221.db2.gz GPFMDVYACLHILW-OPVJXMOQSA-N 2 1 310.416 3.498 20 0 DGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178833083 1098946550 /nfs/dbraw/zinc/94/65/50/1098946550.db2.gz PAEFLTOJZBZVPT-WRFKIARRSA-N 2 1 323.525 3.093 20 0 DGADMP FC(F)(F)c1cc(Cl)cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235338536 1098962426 /nfs/dbraw/zinc/96/24/26/1098962426.db2.gz BCMSFQNBFBRLJO-NSHDSACASA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(Cl)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235338776 1098963072 /nfs/dbraw/zinc/96/30/72/1098963072.db2.gz CJKRNKONEVZMSR-JTQLQIEISA-N 2 1 318.770 3.400 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235340844 1098964624 /nfs/dbraw/zinc/96/46/24/1098964624.db2.gz MVYOMVMQIJIDAR-GOSISDBHSA-N 2 1 322.452 3.307 20 0 DGADMP CC(C)Oc1c(C[NH+]2CCC(C3C[NH2+]C3)CC2)ccc(F)c1F ZINC001235340931 1098965416 /nfs/dbraw/zinc/96/54/16/1098965416.db2.gz VUJRAYHQCWDINI-UHFFFAOYSA-N 2 1 324.415 3.183 20 0 DGADMP Clc1ccc(CCC[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235342114 1098966868 /nfs/dbraw/zinc/96/68/68/1098966868.db2.gz STUBLXNJDPQTKZ-CYBMUJFWSA-N 2 1 313.272 3.467 20 0 DGADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235369488 1098984350 /nfs/dbraw/zinc/98/43/50/1098984350.db2.gz RJJGBBSEBXCAAZ-VLFSNDROSA-N 2 1 306.494 3.356 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)[nH]1 ZINC001235380364 1098988415 /nfs/dbraw/zinc/98/84/15/1098988415.db2.gz OGOLMLZTXLKMJN-QUCCMNQESA-N 2 1 309.457 3.211 20 0 DGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001235396824 1098993614 /nfs/dbraw/zinc/99/36/14/1098993614.db2.gz MQSWYSKOLQCJHX-DOTOQJQBSA-N 2 1 304.453 3.493 20 0 DGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1C ZINC001235400547 1098997264 /nfs/dbraw/zinc/99/72/64/1098997264.db2.gz KHLDDZIQWHRFND-DLBZAZTESA-N 2 1 310.844 3.480 20 0 DGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1C ZINC001235400547 1098997274 /nfs/dbraw/zinc/99/72/74/1098997274.db2.gz KHLDDZIQWHRFND-DLBZAZTESA-N 2 1 310.844 3.480 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001235401890 1098997583 /nfs/dbraw/zinc/99/75/83/1098997583.db2.gz IFZJLAMKHTWMFC-IRXDYDNUSA-N 2 1 310.844 3.296 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401875 1098997973 /nfs/dbraw/zinc/99/79/73/1098997973.db2.gz IDDRTPVWVFZREF-RBUKOAKNSA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401875 1098997978 /nfs/dbraw/zinc/99/79/78/1098997978.db2.gz IDDRTPVWVFZREF-RBUKOAKNSA-N 2 1 320.452 3.389 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3sccc31)C2 ZINC001235405043 1099000817 /nfs/dbraw/zinc/00/08/17/1099000817.db2.gz NBMRCWLXBIGXGD-IRXDYDNUSA-N 2 1 304.434 3.425 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403747 1099002854 /nfs/dbraw/zinc/00/28/54/1099002854.db2.gz LJBJZOMVTGSRJL-RTBURBONSA-N 2 1 314.404 3.470 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403747 1099002862 /nfs/dbraw/zinc/00/28/62/1099002862.db2.gz LJBJZOMVTGSRJL-RTBURBONSA-N 2 1 314.404 3.470 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc(CC)c1O ZINC001235408120 1099003330 /nfs/dbraw/zinc/00/33/30/1099003330.db2.gz UFMRMVZPFRELNK-HKUYNNGSSA-N 2 1 320.452 3.041 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc(CC)c1O ZINC001235408120 1099003338 /nfs/dbraw/zinc/00/33/38/1099003338.db2.gz UFMRMVZPFRELNK-HKUYNNGSSA-N 2 1 320.452 3.041 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235409870 1099006952 /nfs/dbraw/zinc/00/69/52/1099006952.db2.gz XLNFFDYPRJYJCD-RTBURBONSA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235409870 1099006966 /nfs/dbraw/zinc/00/69/66/1099006966.db2.gz XLNFFDYPRJYJCD-RTBURBONSA-N 2 1 320.452 3.389 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235409976 1099008436 /nfs/dbraw/zinc/00/84/36/1099008436.db2.gz WRQWNVSTIIGOOQ-PKOBYXMFSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235409976 1099008447 /nfs/dbraw/zinc/00/84/47/1099008447.db2.gz WRQWNVSTIIGOOQ-PKOBYXMFSA-N 2 1 320.452 3.387 20 0 DGADMP COc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235421572 1099013391 /nfs/dbraw/zinc/01/33/91/1099013391.db2.gz BJWMWWOQZOGUGT-HUUCEWRRSA-N 2 1 306.425 3.046 20 0 DGADMP Fc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235422224 1099014823 /nfs/dbraw/zinc/01/48/23/1099014823.db2.gz AGLKTIJNPNCWGT-MSOLQXFVSA-N 2 1 304.453 3.470 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CCCN2 ZINC001235423944 1099016216 /nfs/dbraw/zinc/01/62/16/1099016216.db2.gz HNMBSAZTYYICGH-MOPGFXCFSA-N 2 1 313.489 3.256 20 0 DGADMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC001235426225 1099018151 /nfs/dbraw/zinc/01/81/51/1099018151.db2.gz JLGYWLKHHCQBQA-LSDHHAIUSA-N 2 1 307.507 3.026 20 0 DGADMP c1cnn(-c2ccccc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429080 1099021945 /nfs/dbraw/zinc/02/19/45/1099021945.db2.gz WTRDXVYUFOOLSS-MSOLQXFVSA-N 2 1 324.472 3.084 20 0 DGADMP Fc1ccccc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427836 1099022274 /nfs/dbraw/zinc/02/22/74/1099022274.db2.gz UCAUCXIZRRLRTO-QZTJIDSGSA-N 2 1 304.453 3.470 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)cc1O ZINC001235430311 1099025129 /nfs/dbraw/zinc/02/51/29/1099025129.db2.gz SAEXAWMBFWPPDH-SJORKVTESA-N 2 1 302.462 3.221 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432401 1099027828 /nfs/dbraw/zinc/02/78/28/1099027828.db2.gz XKITTXIXQVRBRH-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP COc1ccc(Oc2cccc(C[N@@H+](C)CCC[NH3+])c2)cc1 ZINC001235435570 1099033555 /nfs/dbraw/zinc/03/35/55/1099033555.db2.gz PYSABNSHPZCAPO-UHFFFAOYSA-N 2 1 300.402 3.268 20 0 DGADMP COc1cc(F)ccc1-c1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC001235440999 1099037640 /nfs/dbraw/zinc/03/76/40/1099037640.db2.gz HNDXPRZTUZRGRY-UHFFFAOYSA-N 2 1 302.393 3.282 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235620523 1099100212 /nfs/dbraw/zinc/10/02/12/1099100212.db2.gz KILACFSIZKXBAY-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235620523 1099100217 /nfs/dbraw/zinc/10/02/17/1099100217.db2.gz KILACFSIZKXBAY-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235620523 1099100228 /nfs/dbraw/zinc/10/02/28/1099100228.db2.gz KILACFSIZKXBAY-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1OC ZINC001235672880 1099115817 /nfs/dbraw/zinc/11/58/17/1099115817.db2.gz AIGXCSLEJJKVGO-IRXDYDNUSA-N 2 1 318.461 3.373 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1OC ZINC001235672880 1099115821 /nfs/dbraw/zinc/11/58/21/1099115821.db2.gz AIGXCSLEJJKVGO-IRXDYDNUSA-N 2 1 318.461 3.373 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001235672935 1099116670 /nfs/dbraw/zinc/11/66/70/1099116670.db2.gz AHOCLFNABDKVPW-HUUCEWRRSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001235672935 1099116674 /nfs/dbraw/zinc/11/66/74/1099116674.db2.gz AHOCLFNABDKVPW-HUUCEWRRSA-N 2 1 308.853 3.101 20 0 DGADMP c1ccc([C@H]2CCC[N@@H+]2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235674740 1099118564 /nfs/dbraw/zinc/11/85/64/1099118564.db2.gz NHOAUTFHBOLFKW-OAQYLSRUSA-N 2 1 321.468 3.433 20 0 DGADMP CCOc1c(Cl)ccc(C[NH+]2CCC(C[NH2+]C)CC2)c1F ZINC001235679110 1099122753 /nfs/dbraw/zinc/12/27/53/1099122753.db2.gz PALUZXBOGHSUCC-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP COc1ccc2sc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2c1 ZINC001235714173 1099142339 /nfs/dbraw/zinc/14/23/39/1099142339.db2.gz SXHRALATPOACQQ-UHFFFAOYSA-N 2 1 302.443 3.095 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2c1 ZINC001235714173 1099142343 /nfs/dbraw/zinc/14/23/43/1099142343.db2.gz SXHRALATPOACQQ-UHFFFAOYSA-N 2 1 302.443 3.095 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(F)cc(N2CCCC2)c1 ZINC001235718284 1099145942 /nfs/dbraw/zinc/14/59/42/1099145942.db2.gz WBYDFKKYHGHBMB-UHFFFAOYSA-N 2 1 319.468 3.247 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001235718784 1099146330 /nfs/dbraw/zinc/14/63/30/1099146330.db2.gz NQDWYOQIENNQPL-IVMMDQJWSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001235718784 1099146333 /nfs/dbraw/zinc/14/63/33/1099146333.db2.gz NQDWYOQIENNQPL-IVMMDQJWSA-N 2 1 312.379 3.453 20 0 DGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580229 1099150544 /nfs/dbraw/zinc/15/05/44/1099150544.db2.gz ADXWSNHFWBCMJZ-PYTPGESOSA-N 2 1 323.525 3.093 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001235751149 1099165603 /nfs/dbraw/zinc/16/56/03/1099165603.db2.gz VZFGRQYBSZWCOY-AWEZNQCLSA-N 2 1 302.368 3.412 20 0 DGADMP CC[N@H+](Cc1cc(C(F)(F)F)ccc1OC)C1CC[NH2+]CC1 ZINC001235761680 1099169036 /nfs/dbraw/zinc/16/90/36/1099169036.db2.gz OKSTVHAUIUQWTM-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CC[N@@H+](Cc1cc(C(F)(F)F)ccc1OC)C1CC[NH2+]CC1 ZINC001235761680 1099169040 /nfs/dbraw/zinc/16/90/40/1099169040.db2.gz OKSTVHAUIUQWTM-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2CC[C@@H]2C[NH2+]CCO2)cc1 ZINC001235797515 1099186005 /nfs/dbraw/zinc/18/60/05/1099186005.db2.gz XKFYAILOZSQFHI-CTNGQTDRSA-N 2 1 322.452 3.013 20 0 DGADMP COCCC[N@H+](Cc1c(C)cc(C)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235807640 1099189461 /nfs/dbraw/zinc/18/94/61/1099189461.db2.gz PBCROPFKKHHRGS-GOSISDBHSA-N 2 1 304.478 3.202 20 0 DGADMP COCCC[N@@H+](Cc1c(C)cc(C)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235807640 1099189466 /nfs/dbraw/zinc/18/94/66/1099189466.db2.gz PBCROPFKKHHRGS-GOSISDBHSA-N 2 1 304.478 3.202 20 0 DGADMP Cc1nc(F)ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001235817886 1099194167 /nfs/dbraw/zinc/19/41/67/1099194167.db2.gz SUJVYXOFFNCZJL-IRXDYDNUSA-N 2 1 305.441 3.368 20 0 DGADMP Cc1nc(F)ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235817886 1099194170 /nfs/dbraw/zinc/19/41/70/1099194170.db2.gz SUJVYXOFFNCZJL-IRXDYDNUSA-N 2 1 305.441 3.368 20 0 DGADMP Cc1nc(F)ccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001235817886 1099194173 /nfs/dbraw/zinc/19/41/73/1099194173.db2.gz SUJVYXOFFNCZJL-IRXDYDNUSA-N 2 1 305.441 3.368 20 0 DGADMP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001235817886 1099194175 /nfs/dbraw/zinc/19/41/75/1099194175.db2.gz SUJVYXOFFNCZJL-IRXDYDNUSA-N 2 1 305.441 3.368 20 0 DGADMP Cc1cccc(CC[N@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001235839422 1099203075 /nfs/dbraw/zinc/20/30/75/1099203075.db2.gz RFLGYSRCKKMQFZ-UHFFFAOYSA-N 2 1 323.484 3.079 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc(C)c1Br ZINC001235841415 1099204240 /nfs/dbraw/zinc/20/42/40/1099204240.db2.gz FKEHAAOMNDHRGN-ZDUSSCGKSA-N 2 1 311.267 3.107 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccccc3OC3CCCC3)[C@H]2C1 ZINC001179815549 1099212251 /nfs/dbraw/zinc/21/22/51/1099212251.db2.gz HTAKKRPMTXCJSB-YTQUADARSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@H]2C1 ZINC001179815549 1099212258 /nfs/dbraw/zinc/21/22/58/1099212258.db2.gz HTAKKRPMTXCJSB-YTQUADARSA-N 2 1 314.473 3.438 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC3CCCC3)[C@H]2C1 ZINC001179815549 1099212264 /nfs/dbraw/zinc/21/22/64/1099212264.db2.gz HTAKKRPMTXCJSB-YTQUADARSA-N 2 1 314.473 3.438 20 0 DGADMP CCCCn1nc(C)c(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1Cl ZINC001179816530 1099212812 /nfs/dbraw/zinc/21/28/12/1099212812.db2.gz MEDNWOUQLBOJRV-CWRNSKLLSA-N 2 1 324.900 3.075 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235926306 1099263214 /nfs/dbraw/zinc/26/32/14/1099263214.db2.gz XDEYIOBICBITSA-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001235929095 1099265769 /nfs/dbraw/zinc/26/57/69/1099265769.db2.gz HRDUAAOICQPXRI-OTWHNJEPSA-N 2 1 320.521 3.195 20 0 DGADMP COCCC[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH2+]CC1 ZINC001235936248 1099270578 /nfs/dbraw/zinc/27/05/78/1099270578.db2.gz AMGSQUPFZPOZCB-UHFFFAOYSA-N 2 1 318.505 3.445 20 0 DGADMP COCCC[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC001235938417 1099272547 /nfs/dbraw/zinc/27/25/47/1099272547.db2.gz VEPATBGKZUDORP-UHFFFAOYSA-N 2 1 312.457 3.430 20 0 DGADMP CCCc1ccc(C[N@@H+](CCCOC)C2CC[NH2+]CC2)cc1 ZINC001235936869 1099273380 /nfs/dbraw/zinc/27/33/80/1099273380.db2.gz GLDMEACDPRNQHE-UHFFFAOYSA-N 2 1 304.478 3.230 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235939270 1099274442 /nfs/dbraw/zinc/27/44/42/1099274442.db2.gz OOKFZVVVBNPAQO-WOJBJXKFSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235940270 1099275154 /nfs/dbraw/zinc/27/51/54/1099275154.db2.gz RUUADFZXYYSARF-PMACEKPBSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235939268 1099275547 /nfs/dbraw/zinc/27/55/47/1099275547.db2.gz OOKFZVVVBNPAQO-UXHICEINSA-N 2 1 322.452 3.404 20 0 DGADMP COCC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235946742 1099278196 /nfs/dbraw/zinc/27/81/96/1099278196.db2.gz RGXONEVEKFBPLY-YJBOKZPZSA-N 2 1 322.880 3.144 20 0 DGADMP COCC[N@@H+](CCCCCc1ccccc1)C1CC[NH2+]CC1 ZINC001235947204 1099279069 /nfs/dbraw/zinc/27/90/69/1099279069.db2.gz YOBAZVNEOGMCMI-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP Cc1ccc([C@]2(C)C[N@@H+](Cc3ccc(C[NH3+])cc3)CCO2)cc1 ZINC001235948684 1099280491 /nfs/dbraw/zinc/28/04/91/1099280491.db2.gz QDMJTXRZDPEREM-FQEVSTJZSA-N 2 1 310.441 3.201 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951932 1099285432 /nfs/dbraw/zinc/28/54/32/1099285432.db2.gz WEPRNWRBPDNKJH-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235956538 1099286692 /nfs/dbraw/zinc/28/66/92/1099286692.db2.gz FTALHAFYVLCNAX-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235956538 1099286695 /nfs/dbraw/zinc/28/66/95/1099286695.db2.gz FTALHAFYVLCNAX-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235957297 1099289951 /nfs/dbraw/zinc/28/99/51/1099289951.db2.gz MIIWIPRAMXHVEG-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(OC(F)(F)F)c1 ZINC001235956758 1099290188 /nfs/dbraw/zinc/29/01/88/1099290188.db2.gz HHSSHQBQKWPTAA-ZDUSSCGKSA-N 2 1 316.367 3.325 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235979847 1099309128 /nfs/dbraw/zinc/30/91/28/1099309128.db2.gz LICUWXPXPBNXOO-ICSRJNTNSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235979847 1099309133 /nfs/dbraw/zinc/30/91/33/1099309133.db2.gz LICUWXPXPBNXOO-ICSRJNTNSA-N 2 1 308.425 3.285 20 0 DGADMP FC1CC2(C1)CCC[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001235992572 1099316084 /nfs/dbraw/zinc/31/60/84/1099316084.db2.gz KWQOZVIOFYXRNT-UHFFFAOYSA-N 2 1 308.466 3.498 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236006055 1099326275 /nfs/dbraw/zinc/32/62/75/1099326275.db2.gz NCKLSFZZKRCVQU-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP c1cc2c(cccc2C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)o1 ZINC001236009285 1099332272 /nfs/dbraw/zinc/33/22/72/1099332272.db2.gz FEVRGQANBCJSPV-NQIIRXRSSA-N 2 1 318.420 3.406 20 0 DGADMP c1oc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011046 1099334679 /nfs/dbraw/zinc/33/46/79/1099334679.db2.gz ZMOQESKHRJRBNY-NQIIRXRSSA-N 2 1 318.420 3.406 20 0 DGADMP C[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)c1ccccc1 ZINC001236011903 1099335097 /nfs/dbraw/zinc/33/50/97/1099335097.db2.gz DJEJTNHQMZYNPI-UIFIKXQLSA-N 2 1 306.453 3.263 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)CC1 ZINC001180170219 1099339459 /nfs/dbraw/zinc/33/94/59/1099339459.db2.gz MIXRNFDKNBTQPH-UHFFFAOYSA-N 2 1 312.461 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCc2cccc(Br)c2)C1 ZINC001236043665 1099344754 /nfs/dbraw/zinc/34/47/54/1099344754.db2.gz CSFPTKQLEIBLHK-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001236043665 1099344767 /nfs/dbraw/zinc/34/47/67/1099344767.db2.gz CSFPTKQLEIBLHK-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236058719 1099357927 /nfs/dbraw/zinc/35/79/27/1099357927.db2.gz ALUDPRACAHUFIA-RRQGHBQHSA-N 2 1 308.416 3.487 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236058719 1099357942 /nfs/dbraw/zinc/35/79/42/1099357942.db2.gz ALUDPRACAHUFIA-RRQGHBQHSA-N 2 1 308.416 3.487 20 0 DGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC001236082201 1099376991 /nfs/dbraw/zinc/37/69/91/1099376991.db2.gz KLBPVWJINROJIM-HXUWFJFHSA-N 2 1 319.537 3.296 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001236096740 1099386868 /nfs/dbraw/zinc/38/68/68/1099386868.db2.gz FBIZRCFZCMCFAA-FQEVSTJZSA-N 2 1 322.452 3.330 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108520 1099396151 /nfs/dbraw/zinc/39/61/51/1099396151.db2.gz KFEZBKVOTIOIBG-SZOQZIPDSA-N 2 1 306.400 3.064 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108520 1099396162 /nfs/dbraw/zinc/39/61/62/1099396162.db2.gz KFEZBKVOTIOIBG-SZOQZIPDSA-N 2 1 306.400 3.064 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001236143392 1099429015 /nfs/dbraw/zinc/42/90/15/1099429015.db2.gz GBZREPAEVUXGMY-GUYCJALGSA-N 2 1 324.415 3.062 20 0 DGADMP CCC[N@@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC001236180193 1099450717 /nfs/dbraw/zinc/45/07/17/1099450717.db2.gz CLOZLNQOIVZEKM-OAHLLOKOSA-N 2 1 318.461 3.058 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(F)F)cc1F)C1CC[NH2+]CC1 ZINC001236185131 1099454558 /nfs/dbraw/zinc/45/45/58/1099454558.db2.gz XBAZFGYOERCEEH-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)C1CC[NH2+]CC1 ZINC001236185131 1099454566 /nfs/dbraw/zinc/45/45/66/1099454566.db2.gz XBAZFGYOERCEEH-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001180603999 1099471906 /nfs/dbraw/zinc/47/19/06/1099471906.db2.gz ZCGJTYJNHYQTCF-GOSISDBHSA-N 2 1 316.493 3.305 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236219302 1099476332 /nfs/dbraw/zinc/47/63/32/1099476332.db2.gz VBRZXJCHLXDHBH-ROUUACIJSA-N 2 1 320.477 3.460 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236219302 1099476335 /nfs/dbraw/zinc/47/63/35/1099476335.db2.gz VBRZXJCHLXDHBH-ROUUACIJSA-N 2 1 320.477 3.460 20 0 DGADMP COc1ccc(C(F)(F)F)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226095 1099483783 /nfs/dbraw/zinc/48/37/83/1099483783.db2.gz IBKUDRABSMHUNJ-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP COc1ccc(C(F)(F)F)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226095 1099483789 /nfs/dbraw/zinc/48/37/89/1099483789.db2.gz IBKUDRABSMHUNJ-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CCOc1c(F)cc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc1Cl ZINC001236225753 1099484056 /nfs/dbraw/zinc/48/40/56/1099484056.db2.gz FKUJRIMJAMTZMJ-UHFFFAOYSA-N 2 1 314.832 3.452 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1Cl ZINC001236225753 1099484061 /nfs/dbraw/zinc/48/40/61/1099484061.db2.gz FKUJRIMJAMTZMJ-UHFFFAOYSA-N 2 1 314.832 3.452 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236252275 1099501844 /nfs/dbraw/zinc/50/18/44/1099501844.db2.gz GINDXSKTSGZGCS-HXUWFJFHSA-N 2 1 309.457 3.343 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236252275 1099501852 /nfs/dbraw/zinc/50/18/52/1099501852.db2.gz GINDXSKTSGZGCS-HXUWFJFHSA-N 2 1 309.457 3.343 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001236254240 1099503040 /nfs/dbraw/zinc/50/30/40/1099503040.db2.gz XJMFFROEJCFNKE-LEWJYISDSA-N 2 1 323.484 3.283 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H]1C ZINC001180802477 1099509706 /nfs/dbraw/zinc/50/97/06/1099509706.db2.gz RGFXDGCSGYDXRO-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)NCC3)C2CC[NH2+]CC2)cc1 ZINC001236305038 1099525362 /nfs/dbraw/zinc/52/53/62/1099525362.db2.gz RJQCJWIKAJEYMH-UHFFFAOYSA-N 2 1 321.468 3.409 20 0 DGADMP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314653 1099528932 /nfs/dbraw/zinc/52/89/32/1099528932.db2.gz QWROQWUISGYNGL-KYHPRHEASA-N 2 1 304.865 3.375 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319635 1099533743 /nfs/dbraw/zinc/53/37/43/1099533743.db2.gz BYBQMQISSPVVRQ-CALCHBBNSA-N 2 1 311.429 3.081 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236320394 1099534160 /nfs/dbraw/zinc/53/41/60/1099534160.db2.gz BNOJVKKHALKZKD-GASCZTMLSA-N 2 1 306.425 3.044 20 0 DGADMP CCCOc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321414 1099535562 /nfs/dbraw/zinc/53/55/62/1099535562.db2.gz QVXHUXRJHBDNPK-GASCZTMLSA-N 2 1 306.425 3.046 20 0 DGADMP c1sc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1-c1ccccc1 ZINC001236321846 1099536647 /nfs/dbraw/zinc/53/66/47/1099536647.db2.gz NWRVHJHAUUHFET-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373806 1099557839 /nfs/dbraw/zinc/55/78/39/1099557839.db2.gz LLNQTZDIOHLKFT-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc2c(c1)[nH]nc2C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373806 1099557846 /nfs/dbraw/zinc/55/78/46/1099557846.db2.gz LLNQTZDIOHLKFT-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP c1ccc2c(c1)[nH]nc2C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373806 1099557854 /nfs/dbraw/zinc/55/78/54/1099557854.db2.gz LLNQTZDIOHLKFT-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP COc1ccccc1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373523 1099558019 /nfs/dbraw/zinc/55/80/19/1099558019.db2.gz YRNUSJKZNWXYQZ-QGZVFWFLSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(C)n1 ZINC001236376603 1099563102 /nfs/dbraw/zinc/56/31/02/1099563102.db2.gz UGNFXPHEAJFDGJ-MRXNPFEDSA-N 2 1 317.477 3.143 20 0 DGADMP c1nc2c(cccc2C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236376550 1099563476 /nfs/dbraw/zinc/56/34/76/1099563476.db2.gz SVNWQDKDUMHNAK-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2cccc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c2[nH]1 ZINC001236376550 1099563489 /nfs/dbraw/zinc/56/34/89/1099563489.db2.gz SVNWQDKDUMHNAK-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2cccc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c2[nH]1 ZINC001236376550 1099563499 /nfs/dbraw/zinc/56/34/99/1099563499.db2.gz SVNWQDKDUMHNAK-HNNXBMFYSA-N 2 1 312.461 3.307 20 0 DGADMP Oc1cc(F)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375894 1099563988 /nfs/dbraw/zinc/56/39/88/1099563988.db2.gz NRXBXRVKUSYBQI-AWEZNQCLSA-N 2 1 306.425 3.276 20 0 DGADMP COc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1N ZINC001236376988 1099565275 /nfs/dbraw/zinc/56/52/75/1099565275.db2.gz XGXAMQKSQGTLKJ-HNNXBMFYSA-N 2 1 317.477 3.022 20 0 DGADMP c1[nH]nc2cc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)ccc12 ZINC001236376239 1099565309 /nfs/dbraw/zinc/56/53/09/1099565309.db2.gz PKZAQRXPYRQSFQ-INIZCTEOSA-N 2 1 312.461 3.307 20 0 DGADMP CC[N@@H+](CCCCCCCCCC(=O)OC)C[C@H]1CC[NH2+]C1 ZINC001236407070 1099580053 /nfs/dbraw/zinc/58/00/53/1099580053.db2.gz BEFVXQLRTLDXNW-KRWDZBQOSA-N 2 1 312.498 3.212 20 0 DGADMP CCOc1c(F)cc(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC001236408001 1099580597 /nfs/dbraw/zinc/58/05/97/1099580597.db2.gz JFDNVCPOZBDDKG-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC001236408001 1099580603 /nfs/dbraw/zinc/58/06/03/1099580603.db2.gz JFDNVCPOZBDDKG-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CC[N@H+](Cc1ccc(C)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408996 1099581342 /nfs/dbraw/zinc/58/13/42/1099581342.db2.gz QWNCQGVUGAZKEI-CQSZACIVSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@H]1CC[NH2+]C1 ZINC001236410273 1099583741 /nfs/dbraw/zinc/58/37/41/1099583741.db2.gz XVSVHXQVBAXOQS-NSHDSACASA-N 2 1 318.795 3.373 20 0 DGADMP CC[N@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@H]1CC[NH2+]C1 ZINC001236410273 1099583744 /nfs/dbraw/zinc/58/37/44/1099583744.db2.gz XVSVHXQVBAXOQS-NSHDSACASA-N 2 1 318.795 3.373 20 0 DGADMP CC[N@H+](Cc1cc2cc(OC)ccc2s1)C[C@H]1CC[NH2+]C1 ZINC001236412156 1099586708 /nfs/dbraw/zinc/58/67/08/1099586708.db2.gz SQEQMIMZNPEXLR-ZDUSSCGKSA-N 2 1 304.459 3.341 20 0 DGADMP COc1ccc(C2=CC[N@@H+](CC3(C)CC[NH2+]CC3)CC2)cc1 ZINC001236412952 1099588122 /nfs/dbraw/zinc/58/81/22/1099588122.db2.gz ZPZWLQUUJZTDIB-UHFFFAOYSA-N 2 1 300.446 3.174 20 0 DGADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001236424167 1099599728 /nfs/dbraw/zinc/59/97/28/1099599728.db2.gz SBCQPSWWQVENNZ-FUHWJXTLSA-N 2 1 302.462 3.360 20 0 DGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001236434052 1099609308 /nfs/dbraw/zinc/60/93/08/1099609308.db2.gz NIMWERJFRHGGMM-GOSISDBHSA-N 2 1 306.494 3.047 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434354 1099610739 /nfs/dbraw/zinc/61/07/39/1099610739.db2.gz QZFIAAKOXCGFJG-CQSZACIVSA-N 2 1 302.340 3.332 20 0 DGADMP [NH3+]CCCCC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449909 1099618572 /nfs/dbraw/zinc/61/85/72/1099618572.db2.gz DQJCUWIVHVIRFR-UHFFFAOYSA-N 3 1 309.885 3.023 20 0 DGADMP [NH3+]CCCCC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449909 1099618575 /nfs/dbraw/zinc/61/85/75/1099618575.db2.gz DQJCUWIVHVIRFR-UHFFFAOYSA-N 3 1 309.885 3.023 20 0 DGADMP COC(=O)c1ccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)s1 ZINC001236457316 1099619616 /nfs/dbraw/zinc/61/96/16/1099619616.db2.gz LPQLBDLGHRIBAH-UHFFFAOYSA-N 2 1 324.490 3.135 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)s1 ZINC001236457316 1099619622 /nfs/dbraw/zinc/61/96/22/1099619622.db2.gz LPQLBDLGHRIBAH-UHFFFAOYSA-N 2 1 324.490 3.135 20 0 DGADMP CCOCC[N@H+](Cc1ccc(Cl)c(CC)c1)C1CC[NH2+]CC1 ZINC001236464536 1099626917 /nfs/dbraw/zinc/62/69/17/1099626917.db2.gz FMDZKAMXVNDVMJ-UHFFFAOYSA-N 2 1 324.896 3.493 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(Cl)c(CC)c1)C1CC[NH2+]CC1 ZINC001236464536 1099626923 /nfs/dbraw/zinc/62/69/23/1099626923.db2.gz FMDZKAMXVNDVMJ-UHFFFAOYSA-N 2 1 324.896 3.493 20 0 DGADMP [NH3+]Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001236471911 1099631646 /nfs/dbraw/zinc/63/16/46/1099631646.db2.gz OKDLEBQVIGRYAN-MOPGFXCFSA-N 2 1 305.425 3.361 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2C[C@@H]2C)C2CC[NH2+]CC2)cc1F ZINC001236516193 1099654135 /nfs/dbraw/zinc/65/41/35/1099654135.db2.gz MUCDZLMQULOVHZ-ZFWWWQNUSA-N 2 1 306.425 3.044 20 0 DGADMP CC(C)C[N@@H+](Cc1ccccc1N(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550642 1099675495 /nfs/dbraw/zinc/67/54/95/1099675495.db2.gz KYBCENMYWMDRGI-IYARVYRRSA-N 2 1 303.494 3.481 20 0 DGADMP Cc1cc(C)c(Cl)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001236548891 1099675761 /nfs/dbraw/zinc/67/57/61/1099675761.db2.gz NFQAJAJJTUEASI-UHFFFAOYSA-N 2 1 301.821 3.428 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552604 1099677121 /nfs/dbraw/zinc/67/71/21/1099677121.db2.gz TUKIQZUFTLRTNT-QAQDUYKDSA-N 2 1 318.461 3.186 20 0 DGADMP Nc1ccc(F)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236553855 1099677225 /nfs/dbraw/zinc/67/72/25/1099677225.db2.gz UNGQXMQEDLOUKH-JOCQHMNTSA-N 2 1 309.404 3.029 20 0 DGADMP COc1cc(F)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236551107 1099677979 /nfs/dbraw/zinc/67/79/79/1099677979.db2.gz ABBJZJYSXTVJJR-HDJSIYSDSA-N 2 1 324.415 3.455 20 0 DGADMP Cc1ccccc1C[N@@H+](CCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555999 1099679262 /nfs/dbraw/zinc/67/92/62/1099679262.db2.gz OXWZWRYVGJSLOB-WGSAOQKQSA-N 3 1 303.494 3.196 20 0 DGADMP N[C@H](C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236566147 1099681210 /nfs/dbraw/zinc/68/12/10/1099681210.db2.gz CUXWWTYJFZJPSH-BHIYHBOVSA-N 2 1 301.478 3.201 20 0 DGADMP CCOc1ncc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236572496 1099685387 /nfs/dbraw/zinc/68/53/87/1099685387.db2.gz NKPGSUPNCNKDRQ-SAABIXHNSA-N 2 1 317.477 3.413 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236632851 1099715206 /nfs/dbraw/zinc/71/52/06/1099715206.db2.gz BHVLERGNNAVKCK-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236632851 1099715217 /nfs/dbraw/zinc/71/52/17/1099715217.db2.gz BHVLERGNNAVKCK-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP CCOC(=O)CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713904 1099752943 /nfs/dbraw/zinc/75/29/43/1099752943.db2.gz IJFFOGOWGPQASL-IYARVYRRSA-N 2 1 318.461 3.020 20 0 DGADMP Cc1cccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725665 1099759689 /nfs/dbraw/zinc/75/96/89/1099759689.db2.gz AKKOSCQTLADDDO-MXVIHJGJSA-N 3 1 315.505 3.067 20 0 DGADMP Cc1ccc(C[N@@H+](Cc2ccncc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722162 1099760461 /nfs/dbraw/zinc/76/04/61/1099760461.db2.gz GBVBNRKYHFLIHU-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP Cc1cccc(C[N@@H+](Cc2ccncc2N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729873 1099762514 /nfs/dbraw/zinc/76/25/14/1099762514.db2.gz XJWDAHZEYLNXKU-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP CN1CCC[C@@H](C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754673 1099771401 /nfs/dbraw/zinc/77/14/01/1099771401.db2.gz IOLSHXOLUNEXAD-VAMGGRTRSA-N 2 1 321.553 3.480 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754673 1099771406 /nfs/dbraw/zinc/77/14/06/1099771406.db2.gz IOLSHXOLUNEXAD-VAMGGRTRSA-N 3 1 321.553 3.480 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754673 1099771411 /nfs/dbraw/zinc/77/14/11/1099771411.db2.gz IOLSHXOLUNEXAD-VAMGGRTRSA-N 3 1 321.553 3.480 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754673 1099771419 /nfs/dbraw/zinc/77/14/19/1099771419.db2.gz IOLSHXOLUNEXAD-VAMGGRTRSA-N 3 1 321.553 3.480 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236754673 1099771425 /nfs/dbraw/zinc/77/14/25/1099771425.db2.gz IOLSHXOLUNEXAD-VAMGGRTRSA-N 3 1 321.553 3.480 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@H]2CCCCN2)CC1 ZINC001236754526 1099771471 /nfs/dbraw/zinc/77/14/71/1099771471.db2.gz HGCZOBDYGAJMJI-GUDVDZBRSA-N 2 1 307.526 3.281 20 0 DGADMP [NH3+][C@H]1CC[C@H](N(CC2CCCCC2)C[C@H]2CCCC[NH2+]2)CC1 ZINC001236754526 1099771478 /nfs/dbraw/zinc/77/14/78/1099771478.db2.gz HGCZOBDYGAJMJI-GUDVDZBRSA-N 2 1 307.526 3.281 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCOc1ccc(F)cc1)CC2 ZINC001278014341 1099803380 /nfs/dbraw/zinc/80/33/80/1099803380.db2.gz YPQLHMKRFCCHJI-UHFFFAOYSA-N 2 1 306.425 3.012 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@H]12 ZINC001236818515 1099806193 /nfs/dbraw/zinc/80/61/93/1099806193.db2.gz JQZVSVDTDMVFKM-IJEWVQPXSA-N 2 1 312.379 3.307 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@@H]12 ZINC001236818925 1099806951 /nfs/dbraw/zinc/80/69/51/1099806951.db2.gz KZIOTQGIYKMMOE-NUEKZKHPSA-N 2 1 323.278 3.051 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cc4ccccc4)cc3)C[C@@H]12 ZINC001236832033 1099816751 /nfs/dbraw/zinc/81/67/51/1099816751.db2.gz SWUUHYCCYZSQHZ-PWRODBHTSA-N 2 1 306.453 3.447 20 0 DGADMP CCC[N@H+](Cc1[nH]c2ccc(F)cc2c1C)C[C@@H]1CC[NH2+]C1 ZINC001236835316 1099821401 /nfs/dbraw/zinc/82/14/01/1099821401.db2.gz KYURHQMFUNMXCZ-CQSZACIVSA-N 2 1 303.425 3.437 20 0 DGADMP CCC[N@H+](Cc1ccc(F)c(N2CCCC2)c1)C[C@H]1CC[NH2+]C1 ZINC001236842936 1099827070 /nfs/dbraw/zinc/82/70/70/1099827070.db2.gz IACVGJNRZCZBHR-KRWDZBQOSA-N 2 1 319.468 3.247 20 0 DGADMP Cc1cccc(C[N@H+](C)Cc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001236889122 1099853126 /nfs/dbraw/zinc/85/31/26/1099853126.db2.gz XXKYMTISAHPDKL-UHFFFAOYSA-N 2 1 323.484 3.379 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC001236890962 1099853761 /nfs/dbraw/zinc/85/37/61/1099853761.db2.gz USYIKSAHHNGJNR-IAGOWNOFSA-N 2 1 301.478 3.059 20 0 DGADMP COC[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001236913258 1099873199 /nfs/dbraw/zinc/87/31/99/1099873199.db2.gz JSJYKQUFHZLYNG-HNNXBMFYSA-N 2 1 305.809 3.137 20 0 DGADMP CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236918074 1099876283 /nfs/dbraw/zinc/87/62/83/1099876283.db2.gz WYEWCOSQWDTXSN-CQSZACIVSA-N 2 1 317.820 3.327 20 0 DGADMP CC(=O)[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236918074 1099876291 /nfs/dbraw/zinc/87/62/91/1099876291.db2.gz WYEWCOSQWDTXSN-CQSZACIVSA-N 2 1 317.820 3.327 20 0 DGADMP c1nc2cccc(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)c2[nH]1 ZINC001236962087 1099891045 /nfs/dbraw/zinc/89/10/45/1099891045.db2.gz UWHTWGRTISAQEG-UHFFFAOYSA-N 2 1 312.461 3.165 20 0 DGADMP C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(N3CCN(C)CC3)c2)C1 ZINC001236960252 1099892121 /nfs/dbraw/zinc/89/21/21/1099892121.db2.gz RIFWWPFMDKUNPZ-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@@H]1CCCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960252 1099892125 /nfs/dbraw/zinc/89/21/25/1099892125.db2.gz RIFWWPFMDKUNPZ-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960252 1099892130 /nfs/dbraw/zinc/89/21/30/1099892130.db2.gz RIFWWPFMDKUNPZ-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC001278056209 1099984175 /nfs/dbraw/zinc/98/41/75/1099984175.db2.gz WCNASYTXFLOKNG-AABGKKOBSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCCCC[NH3+] ZINC001237189681 1100023478 /nfs/dbraw/zinc/02/34/78/1100023478.db2.gz YLPSZFSXXXVOBK-LBPRGKRZSA-N 2 1 311.267 3.325 20 0 DGADMP Fc1cc2c(cc1F)C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CC2 ZINC001237191051 1100025314 /nfs/dbraw/zinc/02/53/14/1100025314.db2.gz JKKCEOIGENBWCN-UHFFFAOYSA-N 2 1 306.400 3.103 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@H]4C3)(C1)C2 ZINC001237230456 1100041642 /nfs/dbraw/zinc/04/16/42/1100041642.db2.gz GHOWDVWJNFJLNX-DVHLICQRSA-N 2 1 317.864 3.195 20 0 DGADMP FC1(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]CC1 ZINC001237237464 1100044464 /nfs/dbraw/zinc/04/44/64/1100044464.db2.gz VHLZYKKCWHUBSQ-ZBFHGGJFSA-N 2 1 323.843 3.015 20 0 DGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](CC2CCSCC2)CC1 ZINC001237276364 1100057631 /nfs/dbraw/zinc/05/76/31/1100057631.db2.gz VQICDUZHQJMCRC-UHFFFAOYSA-N 2 1 316.514 3.267 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1C(C)C ZINC001237389098 1100104563 /nfs/dbraw/zinc/10/45/63/1100104563.db2.gz FPVWJPDSACQAMF-FUHWJXTLSA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1C(C)C ZINC001237389098 1100104567 /nfs/dbraw/zinc/10/45/67/1100104567.db2.gz FPVWJPDSACQAMF-FUHWJXTLSA-N 2 1 302.462 3.393 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)nc1 ZINC001237406892 1100113445 /nfs/dbraw/zinc/11/34/45/1100113445.db2.gz VZNLNBIJWGUQAF-ICSRJNTNSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2)nc1 ZINC001237405554 1100114030 /nfs/dbraw/zinc/11/40/30/1100114030.db2.gz RHGWXNZLPRQHJX-QUCCMNQESA-N 2 1 307.441 3.323 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237414609 1100117599 /nfs/dbraw/zinc/11/75/99/1100117599.db2.gz MPRYRABTTZRKNL-MSOLQXFVSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237414609 1100117604 /nfs/dbraw/zinc/11/76/04/1100117604.db2.gz MPRYRABTTZRKNL-MSOLQXFVSA-N 2 1 302.462 3.356 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2ncnc(Cl)c2c1 ZINC001237588098 1100182052 /nfs/dbraw/zinc/18/20/52/1100182052.db2.gz KVFYBRDKNGOCNY-UHFFFAOYSA-N 2 1 306.841 3.057 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ncnc(Cl)c2c1 ZINC001237588098 1100182054 /nfs/dbraw/zinc/18/20/54/1100182054.db2.gz KVFYBRDKNGOCNY-UHFFFAOYSA-N 2 1 306.841 3.057 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccc(O)cc3)cc1)C2 ZINC001237671624 1100210335 /nfs/dbraw/zinc/21/03/35/1100210335.db2.gz WUCZERGLJLXOMH-TZIWHRDSSA-N 2 1 322.452 3.443 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(O)cc3)cc1)C2 ZINC001237671624 1100210339 /nfs/dbraw/zinc/21/03/39/1100210339.db2.gz WUCZERGLJLXOMH-TZIWHRDSSA-N 2 1 322.452 3.443 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](O)CC3)cc21 ZINC001237880154 1100277985 /nfs/dbraw/zinc/27/79/85/1100277985.db2.gz DDQGICXODRTLBZ-KRWDZBQOSA-N 2 1 300.446 3.035 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)C3CCOCC3)cc21 ZINC001237880993 1100280336 /nfs/dbraw/zinc/28/03/36/1100280336.db2.gz MJELBNFVFZUTCH-UHFFFAOYSA-N 2 1 300.446 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@]34CCOC4)cc21 ZINC001237887131 1100283081 /nfs/dbraw/zinc/28/30/81/1100283081.db2.gz RSODZJALNOEQPK-FQEVSTJZSA-N 2 1 312.457 3.443 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)O)cc21 ZINC001237886567 1100283303 /nfs/dbraw/zinc/28/33/03/1100283303.db2.gz OSYYWJMSIOLOMS-GOSISDBHSA-N 2 1 314.473 3.423 20 0 DGADMP CCCOc1cc(F)ccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001237909709 1100290556 /nfs/dbraw/zinc/29/05/56/1100290556.db2.gz KJRYGDUARQNHGH-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c4ccoc4ccc3F)C[C@H]2CC1 ZINC001278168712 1100303753 /nfs/dbraw/zinc/30/37/53/1100303753.db2.gz WDOUIXXMSPENRR-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c4ccoc4ccc3F)C[C@H]2CC1 ZINC001278168712 1100303760 /nfs/dbraw/zinc/30/37/60/1100303760.db2.gz WDOUIXXMSPENRR-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c4ccoc4ccc3F)C[C@H]2CC1 ZINC001278168712 1100303768 /nfs/dbraw/zinc/30/37/68/1100303768.db2.gz WDOUIXXMSPENRR-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCOCc3ccccc3)C2)C1 ZINC001278172742 1100316314 /nfs/dbraw/zinc/31/63/14/1100316314.db2.gz CKVVLJPVXSHZPE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCCOCc3ccccc3)C2)C1 ZINC001278172742 1100316325 /nfs/dbraw/zinc/31/63/25/1100316325.db2.gz CKVVLJPVXSHZPE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCCOCc3ccccc3)C2)C1 ZINC001278172742 1100316334 /nfs/dbraw/zinc/31/63/34/1100316334.db2.gz CKVVLJPVXSHZPE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC001205546454 1100377158 /nfs/dbraw/zinc/37/71/58/1100377158.db2.gz VUFCCJZGSWWIOR-CQSZACIVSA-N 2 1 315.230 3.102 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001205546421 1100377301 /nfs/dbraw/zinc/37/73/01/1100377301.db2.gz VFOKNXXMXQLBLN-HNNXBMFYSA-N 2 1 320.330 3.080 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001191119734 1100404915 /nfs/dbraw/zinc/40/49/15/1100404915.db2.gz AIJWFIKOOWUGIP-QUCCMNQESA-N 2 1 316.489 3.257 20 0 DGADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)cc1Br ZINC001238281766 1100409373 /nfs/dbraw/zinc/40/93/73/1100409373.db2.gz NUKUDNDNGPSNCS-GASCZTMLSA-N 2 1 323.278 3.059 20 0 DGADMP CC(C)Oc1cncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001238463839 1100451426 /nfs/dbraw/zinc/45/14/26/1100451426.db2.gz AHNAHNBZWUZUQX-UHFFFAOYSA-N 2 1 319.493 3.421 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3([C@H]4CCCCO4)CCC3)CC[C@H]21 ZINC001191521144 1100477953 /nfs/dbraw/zinc/47/79/53/1100477953.db2.gz MYLPGIIZIGWXQJ-KZNAEPCWSA-N 2 1 306.494 3.142 20 0 DGADMP CC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC001191521803 1100478639 /nfs/dbraw/zinc/47/86/39/1100478639.db2.gz VZFNQSDUCBAHJO-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)OC ZINC001191521803 1100478643 /nfs/dbraw/zinc/47/86/43/1100478643.db2.gz VZFNQSDUCBAHJO-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)OC ZINC001191521803 1100478646 /nfs/dbraw/zinc/47/86/46/1100478646.db2.gz VZFNQSDUCBAHJO-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP Fc1ncc(-c2ccccc2)cc1CN1CCc2nccn2CC1 ZINC001238661247 1100494545 /nfs/dbraw/zinc/49/45/45/1100494545.db2.gz BBFDVBBTDUZUOP-UHFFFAOYSA-N 2 1 322.387 3.143 20 0 DGADMP CSc1cc(C)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001238676273 1100499744 /nfs/dbraw/zinc/49/97/44/1100499744.db2.gz UXDVVQXPNOAFCF-UHFFFAOYSA-N 2 1 313.470 3.434 20 0 DGADMP CC(C)[C@@](O)(C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC001192536901 1100636203 /nfs/dbraw/zinc/63/62/03/1100636203.db2.gz NQGOYERAQLRBSR-FQEVSTJZSA-N 2 1 316.489 3.090 20 0 DGADMP CC(=O)c1cccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001239637722 1100709925 /nfs/dbraw/zinc/70/99/25/1100709925.db2.gz YGBFDIJHFCPOJT-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP c1nc2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2s1 ZINC001240344450 1100950287 /nfs/dbraw/zinc/95/02/87/1100950287.db2.gz NDEQATVFLXZVLV-UHFFFAOYSA-N 2 1 306.394 3.298 20 0 DGADMP C[NH+](C)Cc1cncc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240386489 1100968128 /nfs/dbraw/zinc/96/81/28/1100968128.db2.gz FPYNNUDRPRERIE-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP c1ccc(C[N@H+]2CCc3nc(C4=CC[NH2+]CC4)ccc3C2)cc1 ZINC001240465675 1101009726 /nfs/dbraw/zinc/00/97/26/1101009726.db2.gz NYNIGZXOYLBRFB-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1C[NH+]1CCC1 ZINC001240477304 1101015486 /nfs/dbraw/zinc/01/54/86/1101015486.db2.gz NICYHKOVQBVONA-UHFFFAOYSA-N 2 1 322.452 3.392 20 0 DGADMP Cc1sc2nc(C[NH+](C)C)nc(C=C3CC[NH2+]CC3)c2c1C ZINC001240873875 1101166545 /nfs/dbraw/zinc/16/65/45/1101166545.db2.gz KDXLHTMVUKQCAE-UHFFFAOYSA-N 2 1 316.474 3.137 20 0 DGADMP Cc1nccn1CCCC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC001195834847 1101210176 /nfs/dbraw/zinc/21/01/76/1101210176.db2.gz UHCBHTIQMBDVKP-UHFFFAOYSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC001195834847 1101210181 /nfs/dbraw/zinc/21/01/81/1101210181.db2.gz UHCBHTIQMBDVKP-UHFFFAOYSA-N 2 1 321.465 3.025 20 0 DGADMP Fc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(F)c1F ZINC001240989865 1101211519 /nfs/dbraw/zinc/21/15/19/1101211519.db2.gz SKYOHGBPMDIQSH-UHFFFAOYSA-N 2 1 303.287 3.105 20 0 DGADMP COc1cc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1C ZINC001241135236 1101269683 /nfs/dbraw/zinc/26/96/83/1101269683.db2.gz AUUDLKYSQVDVFA-UHFFFAOYSA-N 2 1 307.397 3.314 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205778489 1101341066 /nfs/dbraw/zinc/34/10/66/1101341066.db2.gz HUNINXTXYCFKDT-ZDUSSCGKSA-N 2 1 322.321 3.430 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205778489 1101341072 /nfs/dbraw/zinc/34/10/72/1101341072.db2.gz HUNINXTXYCFKDT-ZDUSSCGKSA-N 2 1 322.321 3.430 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CCC(C)C ZINC001196621960 1101353563 /nfs/dbraw/zinc/35/35/63/1101353563.db2.gz AHTJWPQMLXMBKW-LJQANCHMSA-N 2 1 306.494 3.367 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F ZINC001205780915 1101354338 /nfs/dbraw/zinc/35/43/38/1101354338.db2.gz TWXVQPODQSEBHV-NSHDSACASA-N 2 1 313.779 3.237 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F ZINC001205780915 1101354350 /nfs/dbraw/zinc/35/43/50/1101354350.db2.gz TWXVQPODQSEBHV-NSHDSACASA-N 2 1 313.779 3.237 20 0 DGADMP C[N@@H+]1CC=C(c2ccc3ncn([C@H]4CCC[NH2+]CC4)c3c2)CC1 ZINC001241320275 1101375217 /nfs/dbraw/zinc/37/52/17/1101375217.db2.gz ZZLMVXHAFXACAR-KRWDZBQOSA-N 2 1 310.445 3.070 20 0 DGADMP CC[C@@H](OCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001196790468 1101388009 /nfs/dbraw/zinc/38/80/09/1101388009.db2.gz UNACXXGZSFQVKB-CEXWTWQISA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC001196790468 1101388018 /nfs/dbraw/zinc/38/80/18/1101388018.db2.gz UNACXXGZSFQVKB-CEXWTWQISA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC001196790468 1101388031 /nfs/dbraw/zinc/38/80/31/1101388031.db2.gz UNACXXGZSFQVKB-CEXWTWQISA-N 2 1 302.462 3.038 20 0 DGADMP CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001196992429 1101451975 /nfs/dbraw/zinc/45/19/75/1101451975.db2.gz SSRHTHMDCFIMPO-IBGZPJMESA-N 2 1 316.489 3.265 20 0 DGADMP c1cc(C[NH+]2CCOCC2)cc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC001241814885 1101718975 /nfs/dbraw/zinc/71/89/75/1101718975.db2.gz IIZMVTOAEBNWBC-IBGZPJMESA-N 2 1 323.440 3.005 20 0 DGADMP Cc1cc(F)cc(-c2ccc(C[NH3+])cc2)c1C[NH+]1CCOCC1 ZINC001241916277 1101779167 /nfs/dbraw/zinc/77/91/67/1101779167.db2.gz IBLVNZCTMHHERM-UHFFFAOYSA-N 2 1 314.404 3.092 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2c1OCC2 ZINC001199336314 1102109191 /nfs/dbraw/zinc/10/91/91/1102109191.db2.gz KYQTZXMONFCRCI-INIZCTEOSA-N 2 1 302.462 3.366 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3nsnc32)C1 ZINC001199345917 1102112320 /nfs/dbraw/zinc/11/23/20/1102112320.db2.gz VLGKKDJIBKOZMQ-CQSZACIVSA-N 2 1 318.490 3.293 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084017152 1102115409 /nfs/dbraw/zinc/11/54/09/1102115409.db2.gz LEQHZJCITZTODE-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084017152 1102115417 /nfs/dbraw/zinc/11/54/17/1102115417.db2.gz LEQHZJCITZTODE-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001199329410 1102116418 /nfs/dbraw/zinc/11/64/18/1102116418.db2.gz SIWIMUHOFATYEV-CALCHBBNSA-N 2 1 303.494 3.494 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001199329410 1102116423 /nfs/dbraw/zinc/11/64/23/1102116423.db2.gz SIWIMUHOFATYEV-CALCHBBNSA-N 2 1 303.494 3.494 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2cc(O)ccc2F)CC1 ZINC001242764044 1102327657 /nfs/dbraw/zinc/32/76/57/1102327657.db2.gz DFLMVPLVDVMJPN-UHFFFAOYSA-N 2 1 300.377 3.121 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCc1ccccc1Br ZINC001205900964 1102399905 /nfs/dbraw/zinc/39/99/05/1102399905.db2.gz ACIMBESJWJNOKW-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccccc1Br ZINC001205900964 1102399912 /nfs/dbraw/zinc/39/99/12/1102399912.db2.gz ACIMBESJWJNOKW-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001205902605 1102442130 /nfs/dbraw/zinc/44/21/30/1102442130.db2.gz KWFLDDBWLAQMJO-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904908 1102466554 /nfs/dbraw/zinc/46/65/54/1102466554.db2.gz YHVBTWWUURMURG-SJORKVTESA-N 2 1 312.498 3.339 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC=CCC4)C[C@@H]3C2)c1 ZINC001201408416 1102572635 /nfs/dbraw/zinc/57/26/35/1102572635.db2.gz GGKUQOUOXJEASK-GVDBMIGSSA-N 2 1 302.487 3.468 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H]1CC=CCC1)C2 ZINC001201410849 1102593408 /nfs/dbraw/zinc/59/34/08/1102593408.db2.gz MSZDAOSGUOSEIH-IHPCNDPISA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001201410849 1102593415 /nfs/dbraw/zinc/59/34/15/1102593415.db2.gz MSZDAOSGUOSEIH-IHPCNDPISA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201410849 1102593423 /nfs/dbraw/zinc/59/34/23/1102593423.db2.gz MSZDAOSGUOSEIH-IHPCNDPISA-N 2 1 318.505 3.023 20 0 DGADMP CC(C)=CCC[C@H](C)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201495948 1102612906 /nfs/dbraw/zinc/61/29/06/1102612906.db2.gz IUKQWYVOVAOJRN-IBGZPJMESA-N 2 1 321.553 3.328 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201543652 1102631692 /nfs/dbraw/zinc/63/16/92/1102631692.db2.gz JBKUCEPNWYRATP-XHSDSOJGSA-N 2 1 307.507 3.476 20 0 DGADMP CCC(CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201525545 1102644129 /nfs/dbraw/zinc/64/41/29/1102644129.db2.gz GUDIXLSYDANIFZ-MOPGFXCFSA-N 2 1 308.510 3.103 20 0 DGADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201525545 1102644132 /nfs/dbraw/zinc/64/41/32/1102644132.db2.gz GUDIXLSYDANIFZ-MOPGFXCFSA-N 2 1 308.510 3.103 20 0 DGADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201525545 1102644137 /nfs/dbraw/zinc/64/41/37/1102644137.db2.gz GUDIXLSYDANIFZ-MOPGFXCFSA-N 2 1 308.510 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201615649 1102671710 /nfs/dbraw/zinc/67/17/10/1102671710.db2.gz XELNVYNDTIZDBA-UHFFFAOYSA-N 2 1 322.518 3.461 20 0 DGADMP CN1CCN(c2cc(Nc3cc[nH+]c(C4CCC4)c3)cc[nH+]2)CC1 ZINC001201658185 1102689369 /nfs/dbraw/zinc/68/93/69/1102689369.db2.gz SYXHKYCAWCGIJP-UHFFFAOYSA-N 2 1 323.444 3.240 20 0 DGADMP OC1C[NH+](Cc2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2)C1 ZINC001243638098 1102871721 /nfs/dbraw/zinc/87/17/21/1102871721.db2.gz IMJBBMNBPFIOAG-UHFFFAOYSA-N 2 1 322.452 3.126 20 0 DGADMP FC(F)(F)CCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001202416629 1102975705 /nfs/dbraw/zinc/97/57/05/1102975705.db2.gz ZLDPAEDKMGUWLZ-OKILXGFUSA-N 2 1 316.367 3.376 20 0 DGADMP FC(F)(F)CCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001202416629 1102975714 /nfs/dbraw/zinc/97/57/14/1102975714.db2.gz ZLDPAEDKMGUWLZ-OKILXGFUSA-N 2 1 316.367 3.376 20 0 DGADMP FC(F)(F)CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001202416629 1102975723 /nfs/dbraw/zinc/97/57/23/1102975723.db2.gz ZLDPAEDKMGUWLZ-OKILXGFUSA-N 2 1 316.367 3.376 20 0 DGADMP FC(F)(F)CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001202416629 1102975729 /nfs/dbraw/zinc/97/57/29/1102975729.db2.gz ZLDPAEDKMGUWLZ-OKILXGFUSA-N 2 1 316.367 3.376 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCCC(F)(F)F)CC1 ZINC001202403968 1102986715 /nfs/dbraw/zinc/98/67/15/1102986715.db2.gz BALRFYPRMLBRIT-UHFFFAOYSA-N 2 1 301.356 3.271 20 0 DGADMP Cc1nc2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2o1 ZINC001243958938 1103083693 /nfs/dbraw/zinc/08/36/93/1103083693.db2.gz BLALJXDWNHSTGI-UHFFFAOYSA-N 2 1 304.353 3.138 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2cc(F)c(O)c(F)c2)CC1 ZINC001244096842 1103210844 /nfs/dbraw/zinc/21/08/44/1103210844.db2.gz KJYHFGQRJWNECX-UHFFFAOYSA-N 2 1 318.367 3.261 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198949 1103233057 /nfs/dbraw/zinc/23/30/57/1103233057.db2.gz FVDPFBQQQDJFKZ-WOJBJXKFSA-N 2 1 324.472 3.194 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC001326198949 1103233068 /nfs/dbraw/zinc/23/30/68/1103233068.db2.gz FVDPFBQQQDJFKZ-WOJBJXKFSA-N 2 1 324.472 3.194 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)C2 ZINC001326322816 1103272591 /nfs/dbraw/zinc/27/25/91/1103272591.db2.gz OHKBPLJNYGRXSB-CGTJXYLNSA-N 2 1 302.462 3.015 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606330 1103343782 /nfs/dbraw/zinc/34/37/82/1103343782.db2.gz LBLVJINPIQQBAR-OAHLLOKOSA-N 2 1 308.441 3.495 20 0 DGADMP COc1c(C)ccc(F)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606330 1103343796 /nfs/dbraw/zinc/34/37/96/1103343796.db2.gz LBLVJINPIQQBAR-OAHLLOKOSA-N 2 1 308.441 3.495 20 0 DGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001276327976 1103501393 /nfs/dbraw/zinc/50/13/93/1103501393.db2.gz KKRYYNANHAWDLH-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001276327976 1103501406 /nfs/dbraw/zinc/50/14/06/1103501406.db2.gz KKRYYNANHAWDLH-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001276327976 1103501416 /nfs/dbraw/zinc/50/14/16/1103501416.db2.gz KKRYYNANHAWDLH-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001328266277 1103893863 /nfs/dbraw/zinc/89/38/63/1103893863.db2.gz HZWJDPSNVIZYQF-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC001328401352 1103934590 /nfs/dbraw/zinc/93/45/90/1103934590.db2.gz WLKOJWPDARARSM-LRDDRELGSA-N 2 1 318.852 3.289 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4F)C[C@H]2C1 ZINC001137060681 1103945166 /nfs/dbraw/zinc/94/51/66/1103945166.db2.gz ZZVPTIUUFCQAKM-HUUCEWRRSA-N 2 1 301.409 3.081 20 0 DGADMP Cc1ccc2[nH]c(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2c1 ZINC001245570430 1104129678 /nfs/dbraw/zinc/12/96/78/1104129678.db2.gz DHDAKXSADUQDEV-UHFFFAOYSA-N 2 1 302.381 3.478 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001329053418 1104138019 /nfs/dbraw/zinc/13/80/19/1104138019.db2.gz NQZAIYXNYYQSND-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205980971 1104145087 /nfs/dbraw/zinc/14/50/87/1104145087.db2.gz AMRYRFLTFLZEJD-TZMCWYRMSA-N 2 1 311.267 3.256 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246003753 1104350296 /nfs/dbraw/zinc/35/02/96/1104350296.db2.gz FHPGQRQQQPRACE-QGZVFWFLSA-N 2 1 324.896 3.450 20 0 DGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246042424 1104356698 /nfs/dbraw/zinc/35/66/98/1104356698.db2.gz GGCAPCWWGQWKJJ-PWRODBHTSA-N 2 1 324.468 3.063 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001246035003 1104357909 /nfs/dbraw/zinc/35/79/09/1104357909.db2.gz MQYGHSGNAIGAKU-WMZOPIPTSA-N 2 1 324.896 3.083 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001246035003 1104357920 /nfs/dbraw/zinc/35/79/20/1104357920.db2.gz MQYGHSGNAIGAKU-WMZOPIPTSA-N 2 1 324.896 3.083 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246048042 1104357993 /nfs/dbraw/zinc/35/79/93/1104357993.db2.gz XLXAYUDIPVBNIF-XUVXKRRUSA-N 2 1 312.457 3.000 20 0 DGADMP Cc1ccc(C[N@H+](C[C@H](O)C(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001246054693 1104361340 /nfs/dbraw/zinc/36/13/40/1104361340.db2.gz IVUTUZXXUPDMKO-SFHVURJKSA-N 2 1 322.468 3.095 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H](O)C(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001246054693 1104361351 /nfs/dbraw/zinc/36/13/51/1104361351.db2.gz IVUTUZXXUPDMKO-SFHVURJKSA-N 2 1 322.468 3.095 20 0 DGADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246071134 1104364142 /nfs/dbraw/zinc/36/41/42/1104364142.db2.gz HPBNUBJGXJSEGP-MOPGFXCFSA-N 2 1 310.441 3.148 20 0 DGADMP CCC(CC)[N@@H+](CC1(O)CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC001246067910 1104365450 /nfs/dbraw/zinc/36/54/50/1104365450.db2.gz QGQQADOVBJJDOA-MRXNPFEDSA-N 2 1 304.478 3.353 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2OC)CC[NH2+]1 ZINC001246073543 1104367627 /nfs/dbraw/zinc/36/76/27/1104367627.db2.gz GCTDDIXRIDXZAF-HZPDHXFCSA-N 2 1 306.450 3.104 20 0 DGADMP c1ccc(CO[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246074928 1104370466 /nfs/dbraw/zinc/37/04/66/1104370466.db2.gz GIWDOPNDSHOVNB-GUDVDZBRSA-N 2 1 302.462 3.246 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246076286 1104372116 /nfs/dbraw/zinc/37/21/16/1104372116.db2.gz MGSQOMNPUCASNE-OQIJWPOYSA-N 2 1 302.462 3.245 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246080906 1104373539 /nfs/dbraw/zinc/37/35/39/1104373539.db2.gz PUPDRICQPPWVAD-MOPGFXCFSA-N 3 1 303.494 3.369 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(Br)c3C2)C[NH2+]1 ZINC001246081497 1104375946 /nfs/dbraw/zinc/37/59/46/1104375946.db2.gz SSHUOVXHIGFRQT-YUTCNCBUSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246094161 1104381870 /nfs/dbraw/zinc/38/18/70/1104381870.db2.gz ZSBYLYBRGSGKNL-JSGCOSHPSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246097805 1104383424 /nfs/dbraw/zinc/38/34/24/1104383424.db2.gz OPPSDIIFAUHQJW-HICWGWBUSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246100999 1104386213 /nfs/dbraw/zinc/38/62/13/1104386213.db2.gz ILPNUFVHPAZCAU-HPUSYDDDSA-N 2 1 315.505 3.016 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H](C)[NH2+]1 ZINC001246113025 1104392306 /nfs/dbraw/zinc/39/23/06/1104392306.db2.gz HKNNMRWYQWIAIW-ZIAGYGMSSA-N 2 1 318.461 3.261 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114292 1104393247 /nfs/dbraw/zinc/39/32/47/1104393247.db2.gz VWKNHPJOASTBEH-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246114292 1104393259 /nfs/dbraw/zinc/39/32/59/1104393259.db2.gz VWKNHPJOASTBEH-DFQSSKMNSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114292 1104393270 /nfs/dbraw/zinc/39/32/70/1104393270.db2.gz VWKNHPJOASTBEH-DFQSSKMNSA-N 3 1 315.505 3.019 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246163189 1104411943 /nfs/dbraw/zinc/41/19/43/1104411943.db2.gz XQNMZMKXNUBSMO-SFHVURJKSA-N 3 1 307.526 3.153 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160713 1104412277 /nfs/dbraw/zinc/41/22/77/1104412277.db2.gz PCJOMRWJNQBUSZ-DFQSSKMNSA-N 2 1 316.489 3.207 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC001246164579 1104413106 /nfs/dbraw/zinc/41/31/06/1104413106.db2.gz XGNJGTRVORGYTJ-RISCZKNCSA-N 2 1 300.368 3.360 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163279 1104413821 /nfs/dbraw/zinc/41/38/21/1104413821.db2.gz HRQBXSDQTKTDHD-FUHWJXTLSA-N 3 1 307.457 3.036 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246171404 1104418725 /nfs/dbraw/zinc/41/87/25/1104418725.db2.gz BFCGUAHGHVGUNA-UHFFFAOYSA-N 3 1 307.526 3.282 20 0 DGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207382 1104437379 /nfs/dbraw/zinc/43/73/79/1104437379.db2.gz PSEWQYKXTKBDHS-OAGGEKHMSA-N 2 1 314.514 3.486 20 0 DGADMP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246180883 1104424390 /nfs/dbraw/zinc/42/43/90/1104424390.db2.gz UVSVPLJLZCTRLJ-GOSISDBHSA-N 3 1 307.526 3.425 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246180883 1104424397 /nfs/dbraw/zinc/42/43/97/1104424397.db2.gz UVSVPLJLZCTRLJ-GOSISDBHSA-N 3 1 307.526 3.425 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(F)CCCNC1 ZINC001246184881 1104428225 /nfs/dbraw/zinc/42/82/25/1104428225.db2.gz VVNQTFSFPJFFTL-ABAIWWIYSA-N 2 1 302.796 3.091 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191091 1104430114 /nfs/dbraw/zinc/43/01/14/1104430114.db2.gz TYBNNHWCXXIZIS-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP CC1(C)C[C@H](NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196596 1104433764 /nfs/dbraw/zinc/43/37/64/1104433764.db2.gz HBLLGSYZUMVGLB-RBUKOAKNSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC001246196596 1104433768 /nfs/dbraw/zinc/43/37/68/1104433768.db2.gz HBLLGSYZUMVGLB-RBUKOAKNSA-N 3 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196596 1104433777 /nfs/dbraw/zinc/43/37/77/1104433777.db2.gz HBLLGSYZUMVGLB-RBUKOAKNSA-N 3 1 315.505 3.019 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001246199605 1104434591 /nfs/dbraw/zinc/43/45/91/1104434591.db2.gz KXINUHUNVBGYFD-BBWFWOEESA-N 2 1 312.498 3.256 20 0 DGADMP CC(C)[C@H]1C[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246203607 1104435263 /nfs/dbraw/zinc/43/52/63/1104435263.db2.gz WOFJNYSGZSLRJJ-SLFFLAALSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246203607 1104435268 /nfs/dbraw/zinc/43/52/68/1104435268.db2.gz WOFJNYSGZSLRJJ-SLFFLAALSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)CC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246201673 1104435543 /nfs/dbraw/zinc/43/55/43/1104435543.db2.gz IRTDZUWBEQQGAG-GJZGRUSLSA-N 2 1 300.487 3.240 20 0 DGADMP C[C@H]1CC([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001246203772 1104435681 /nfs/dbraw/zinc/43/56/81/1104435681.db2.gz UNURZBGZJGIVTM-FMKPAKJESA-N 2 1 312.498 3.240 20 0 DGADMP CCCCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C(=O)OCC)CC1 ZINC001246200687 1104436120 /nfs/dbraw/zinc/43/61/20/1104436120.db2.gz NDGOAQZGVDMEDR-FOIPXRHGSA-N 2 1 324.509 3.256 20 0 DGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001329953757 1104436707 /nfs/dbraw/zinc/43/67/07/1104436707.db2.gz PPTHAHWWHRGNPJ-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246204503 1104437450 /nfs/dbraw/zinc/43/74/50/1104437450.db2.gz XYJCUDZYSQFDLL-GJZGRUSLSA-N 2 1 300.487 3.384 20 0 DGADMP CCCC1CCC([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC001246208965 1104439022 /nfs/dbraw/zinc/43/90/22/1104439022.db2.gz XLNGUOMJTFOSKT-GPANFISMSA-N 2 1 312.498 3.384 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1F ZINC001329976508 1104442794 /nfs/dbraw/zinc/44/27/94/1104442794.db2.gz OOBZYRLOTRXUCW-INIZCTEOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1F ZINC001329976508 1104442804 /nfs/dbraw/zinc/44/28/04/1104442804.db2.gz OOBZYRLOTRXUCW-INIZCTEOSA-N 2 1 306.425 3.046 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]CC1(F)F ZINC001246223011 1104444460 /nfs/dbraw/zinc/44/44/60/1104444460.db2.gz UGKNEAKWPWLOHA-HUUCEWRRSA-N 2 1 314.807 3.032 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246225618 1104446031 /nfs/dbraw/zinc/44/60/31/1104446031.db2.gz CRSHZZXHLSRVHO-IAGOWNOFSA-N 2 1 310.432 3.478 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246226416 1104446414 /nfs/dbraw/zinc/44/64/14/1104446414.db2.gz GENPQGHUIMHGQW-YPMHNXCESA-N 2 1 302.796 3.105 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246228935 1104447958 /nfs/dbraw/zinc/44/79/58/1104447958.db2.gz ZAUVYFROITXQEP-LBPRGKRZSA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246233954 1104450434 /nfs/dbraw/zinc/45/04/34/1104450434.db2.gz VMWUMMHMVREUBP-JQWIXIFHSA-N 2 1 320.786 3.245 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC001246243718 1104455848 /nfs/dbraw/zinc/45/58/48/1104455848.db2.gz MLHQNISARGXVGV-CMPLNLGQSA-N 2 1 317.296 3.377 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCCc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246254444 1104460146 /nfs/dbraw/zinc/46/01/46/1104460146.db2.gz HLKXWDRTYJTSJU-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246269368 1104467459 /nfs/dbraw/zinc/46/74/59/1104467459.db2.gz RRKIJULNAIXTBA-RDTXWAMCSA-N 2 1 302.849 3.431 20 0 DGADMP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246274106 1104469202 /nfs/dbraw/zinc/46/92/02/1104469202.db2.gz SCNWAYFVMSMDCO-JQHSSLGASA-N 2 1 302.462 3.087 20 0 DGADMP CCOC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1)c1ccccc1 ZINC001246292718 1104475766 /nfs/dbraw/zinc/47/57/66/1104475766.db2.gz PLRXLJAICXLAPB-SQNIBIBYSA-N 2 1 318.461 3.047 20 0 DGADMP CCC[C@H]([NH2+]C1CCC2(CC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246297056 1104476999 /nfs/dbraw/zinc/47/69/99/1104476999.db2.gz UNPFYFXMZFUUMZ-CSLYMUCUSA-N 2 1 310.482 3.009 20 0 DGADMP CC[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300358 1104478485 /nfs/dbraw/zinc/47/84/85/1104478485.db2.gz RFMSAUMFPMZQQH-NMLBUPMWSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300358 1104478488 /nfs/dbraw/zinc/47/84/88/1104478488.db2.gz RFMSAUMFPMZQQH-NMLBUPMWSA-N 2 1 315.505 3.160 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c(Cl)cccc2C1)Cc1ccccc1 ZINC001246299605 1104479445 /nfs/dbraw/zinc/47/94/45/1104479445.db2.gz LCHPVDKAAVLPJM-IRXDYDNUSA-N 2 1 314.860 3.357 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC[NH2+]1 ZINC001246313113 1104484038 /nfs/dbraw/zinc/48/40/38/1104484038.db2.gz BNLUTJCGTAXGMR-YSVLISHTSA-N 2 1 306.425 3.406 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)C[C@H](CC)[NH2+]1 ZINC001246318171 1104486056 /nfs/dbraw/zinc/48/60/56/1104486056.db2.gz YVCLUVVGQQXRAR-BASYENTBSA-N 2 1 318.461 3.418 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246324312 1104488978 /nfs/dbraw/zinc/48/89/78/1104488978.db2.gz GVFFVPPANFZEFS-CJNGLKHVSA-N 2 1 307.869 3.039 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246331916 1104494440 /nfs/dbraw/zinc/49/44/40/1104494440.db2.gz OPPSDIIFAUHQJW-NKFCBESUSA-N 2 1 313.272 3.438 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(C(=O)OCC)cs2)CC[NH2+]1 ZINC001246344813 1104500332 /nfs/dbraw/zinc/50/03/32/1104500332.db2.gz IDCFNWJGPKEWDH-HUUCEWRRSA-N 2 1 324.490 3.325 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246352613 1104504661 /nfs/dbraw/zinc/50/46/61/1104504661.db2.gz XTDLTROTQIOQTL-RHSMWYFYSA-N 2 1 322.880 3.118 20 0 DGADMP C1C[N@@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246358631 1104506014 /nfs/dbraw/zinc/50/60/14/1104506014.db2.gz ACWNGFASXNIABR-QPIRBTGLSA-N 3 1 319.537 3.295 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246358631 1104506020 /nfs/dbraw/zinc/50/60/20/1104506020.db2.gz ACWNGFASXNIABR-QPIRBTGLSA-N 3 1 319.537 3.295 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246364154 1104509629 /nfs/dbraw/zinc/50/96/29/1104509629.db2.gz SYEYQGUHFZOHDD-SLFFLAALSA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246364154 1104509638 /nfs/dbraw/zinc/50/96/38/1104509638.db2.gz SYEYQGUHFZOHDD-SLFFLAALSA-N 3 1 319.537 3.153 20 0 DGADMP COc1ccc(C2([NH2+][C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246363462 1104509706 /nfs/dbraw/zinc/50/97/06/1104509706.db2.gz SJLPWCQYXMILDA-WBVHZDCISA-N 2 1 302.462 3.441 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC001246367690 1104511388 /nfs/dbraw/zinc/51/13/88/1104511388.db2.gz SADRWFLCQMUQPN-APWZRJJASA-N 3 1 307.526 3.009 20 0 DGADMP FC(F)(F)c1ccc(CC2(C[NH2+][C@H]3CC[NH2+]C3)CCC2)cc1 ZINC001246385868 1104519252 /nfs/dbraw/zinc/51/92/52/1104519252.db2.gz UUJSHOVKQWPMPD-HNNXBMFYSA-N 2 1 312.379 3.370 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)C[NH2+]1 ZINC001246395409 1104524274 /nfs/dbraw/zinc/52/42/74/1104524274.db2.gz MBSLIUXETFZLFQ-XFBWCDHKSA-N 2 1 323.278 3.037 20 0 DGADMP CC[C@@H]1CC([NH2+][C@@H](c2cccnc2OC)C2CC2)C[C@@H](CC)[NH2+]1 ZINC001246394125 1104524575 /nfs/dbraw/zinc/52/45/75/1104524575.db2.gz MASJRFJTSUQKPE-IIDMSEBBSA-N 2 1 317.477 3.440 20 0 DGADMP CC(C)CC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246403282 1104527122 /nfs/dbraw/zinc/52/71/22/1104527122.db2.gz CKMJCBNVVOJVSK-WMZOPIPTSA-N 2 1 320.477 3.252 20 0 DGADMP CCCCCC[C@H](CCCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401107 1104527466 /nfs/dbraw/zinc/52/74/66/1104527466.db2.gz KBNVWNZQHKHTHS-HOTGVXAUSA-N 2 1 300.487 3.386 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246400802 1104527709 /nfs/dbraw/zinc/52/77/09/1104527709.db2.gz GZGWTXSBTNFMQC-GUDVDZBRSA-N 3 1 319.468 3.040 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246400802 1104527720 /nfs/dbraw/zinc/52/77/20/1104527720.db2.gz GZGWTXSBTNFMQC-GUDVDZBRSA-N 3 1 319.468 3.040 20 0 DGADMP CC1(C)C[NH2+]C[C@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)O1 ZINC001246413808 1104532476 /nfs/dbraw/zinc/53/24/76/1104532476.db2.gz QSTUJKHLFQAMTO-CTWPCTMYSA-N 2 1 316.489 3.145 20 0 DGADMP CC1(C)[C@@H]2C[C@@H]([NH2+]C3(c4ccccc4F)CC[NH2+]CC3)C[C@@H]21 ZINC001246427171 1104536015 /nfs/dbraw/zinc/53/60/15/1104536015.db2.gz CJRRPIMEDPJERA-MKZZRHPPSA-N 2 1 302.437 3.429 20 0 DGADMP CCC1([NH2+][C@@H]2CCN[C@@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425047 1104536261 /nfs/dbraw/zinc/53/62/61/1104536261.db2.gz VLUZVUKQUZEFRQ-SJLPKXTDSA-N 2 1 319.468 3.049 20 0 DGADMP [NH3+]CCC[NH2+]CCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246456145 1104546337 /nfs/dbraw/zinc/54/63/37/1104546337.db2.gz ZNDFWXTYNORNPA-UHFFFAOYSA-N 3 1 323.912 3.284 20 0 DGADMP CCC[C@@]1(C[NH2+][C@@H]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246458815 1104547636 /nfs/dbraw/zinc/54/76/36/1104547636.db2.gz CFGRYILMQOJWRB-CVEARBPZSA-N 2 1 323.278 3.038 20 0 DGADMP COc1cccc2c1CC[C@H](CCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246462600 1104550034 /nfs/dbraw/zinc/55/00/34/1104550034.db2.gz BWUBDVIFDLYOJG-SOLBZPMBSA-N 2 1 316.489 3.310 20 0 DGADMP CCC[C@@H](CC)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246487945 1104561344 /nfs/dbraw/zinc/56/13/44/1104561344.db2.gz TWHGIXUUQLLQJB-QZTJIDSGSA-N 2 1 320.477 3.396 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246488935 1104562167 /nfs/dbraw/zinc/56/21/67/1104562167.db2.gz OQBXVYNPZBZPAP-OCCSQVGLSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246490971 1104563297 /nfs/dbraw/zinc/56/32/97/1104563297.db2.gz RGJIQFXGVAWGFQ-JSGCOSHPSA-N 2 1 316.823 3.496 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246494172 1104565053 /nfs/dbraw/zinc/56/50/53/1104565053.db2.gz CDUSHNVDUIXQOY-KRWDZBQOSA-N 3 1 307.526 3.140 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246502439 1104568009 /nfs/dbraw/zinc/56/80/09/1104568009.db2.gz FDZNRLWPXIVNMI-UHOSZYNNSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246502454 1104568973 /nfs/dbraw/zinc/56/89/73/1104568973.db2.gz FDZNRLWPXIVNMI-WDSOQIARSA-N 2 1 303.494 3.003 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)cc(F)c3OC)(C1)CCC2 ZINC001275000014 1104574247 /nfs/dbraw/zinc/57/42/47/1104574247.db2.gz FGYWJLURQHRVMP-DLBZAZTESA-N 2 1 310.388 3.128 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246520815 1104575827 /nfs/dbraw/zinc/57/58/27/1104575827.db2.gz KOMJARSHJHWTAI-BWTSREIZSA-N 2 1 313.489 3.099 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](N)C2(CC2)C1 ZINC001246532845 1104580043 /nfs/dbraw/zinc/58/00/43/1104580043.db2.gz KVMMMJMMVLIZBM-DZGCQCFKSA-N 2 1 308.491 3.493 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)N1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532845 1104580052 /nfs/dbraw/zinc/58/00/52/1104580052.db2.gz KVMMMJMMVLIZBM-DZGCQCFKSA-N 2 1 308.491 3.493 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532845 1104580057 /nfs/dbraw/zinc/58/00/57/1104580057.db2.gz KVMMMJMMVLIZBM-DZGCQCFKSA-N 2 1 308.491 3.493 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532845 1104580064 /nfs/dbraw/zinc/58/00/64/1104580064.db2.gz KVMMMJMMVLIZBM-DZGCQCFKSA-N 2 1 308.491 3.493 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCO1 ZINC001246533369 1104580380 /nfs/dbraw/zinc/58/03/80/1104580380.db2.gz DAEGOLITJDENHE-VMWRSERWSA-N 2 1 322.880 3.416 20 0 DGADMP CC[C@H]1CC([NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246539571 1104583363 /nfs/dbraw/zinc/58/33/63/1104583363.db2.gz RLIHIKMLITZUBQ-IRXDYDNUSA-N 2 1 319.468 3.257 20 0 DGADMP CCc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001275031602 1104584344 /nfs/dbraw/zinc/58/43/44/1104584344.db2.gz UHYTVGHWAQNXIT-FQEVSTJZSA-N 2 1 316.489 3.435 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001275031602 1104584353 /nfs/dbraw/zinc/58/43/53/1104584353.db2.gz UHYTVGHWAQNXIT-FQEVSTJZSA-N 2 1 316.489 3.435 20 0 DGADMP CCc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc(CC)c1O ZINC001275031602 1104584361 /nfs/dbraw/zinc/58/43/61/1104584361.db2.gz UHYTVGHWAQNXIT-FQEVSTJZSA-N 2 1 316.489 3.435 20 0 DGADMP CCc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc(CC)c1O ZINC001275031602 1104584370 /nfs/dbraw/zinc/58/43/70/1104584370.db2.gz UHYTVGHWAQNXIT-FQEVSTJZSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246540252 1104585080 /nfs/dbraw/zinc/58/50/80/1104585080.db2.gz FWNWLLDITIXDLA-UHOSZYNNSA-N 2 1 315.505 3.241 20 0 DGADMP CC[C@@H]1CC([NH+]2CCN(c3cccc(C)c3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246540820 1104585622 /nfs/dbraw/zinc/58/56/22/1104585622.db2.gz UAHKTRUXHUKSKE-QZTJIDSGSA-N 2 1 315.505 3.426 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246546051 1104588331 /nfs/dbraw/zinc/58/83/31/1104588331.db2.gz FCHIMGBAXQREQU-RHSMWYFYSA-N 2 1 310.844 3.350 20 0 DGADMP COc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246552690 1104589773 /nfs/dbraw/zinc/58/97/73/1104589773.db2.gz YWACIXHZDYMATQ-WMZOPIPTSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246552690 1104589779 /nfs/dbraw/zinc/58/97/79/1104589779.db2.gz YWACIXHZDYMATQ-WMZOPIPTSA-N 2 1 302.462 3.220 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551366 1104590495 /nfs/dbraw/zinc/59/04/95/1104590495.db2.gz QCTJVHXSAYSZQV-KGLIPLIRSA-N 2 1 322.880 3.137 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001246551366 1104590499 /nfs/dbraw/zinc/59/04/99/1104590499.db2.gz QCTJVHXSAYSZQV-KGLIPLIRSA-N 2 1 322.880 3.137 20 0 DGADMP c1ccc(C[N@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246551757 1104591583 /nfs/dbraw/zinc/59/15/83/1104591583.db2.gz QUFNVGFMEBAEJF-YOFSQIOKSA-N 2 1 307.441 3.367 20 0 DGADMP c1ccc(C[N@@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246551757 1104591592 /nfs/dbraw/zinc/59/15/92/1104591592.db2.gz QUFNVGFMEBAEJF-YOFSQIOKSA-N 2 1 307.441 3.367 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1C[NH3+] ZINC001246556539 1104593566 /nfs/dbraw/zinc/59/35/66/1104593566.db2.gz HPBVPHRYSKOBTO-HZPDHXFCSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560509 1104594855 /nfs/dbraw/zinc/59/48/55/1104594855.db2.gz VDNIEWFYOSSPNK-DGCLKSJQSA-N 2 1 302.796 3.187 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560509 1104594862 /nfs/dbraw/zinc/59/48/62/1104594862.db2.gz VDNIEWFYOSSPNK-DGCLKSJQSA-N 2 1 302.796 3.187 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558034 1104596104 /nfs/dbraw/zinc/59/61/04/1104596104.db2.gz NUISUVHQVGBGHI-STQMWFEESA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558034 1104596113 /nfs/dbraw/zinc/59/61/13/1104596113.db2.gz NUISUVHQVGBGHI-STQMWFEESA-N 2 1 314.807 3.113 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)ccc2c1 ZINC001246563585 1104597047 /nfs/dbraw/zinc/59/70/47/1104597047.db2.gz RZLVCBITIDAFEM-QEEYODRMSA-N 2 1 312.457 3.449 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246564181 1104597910 /nfs/dbraw/zinc/59/79/10/1104597910.db2.gz WLAFSOMWNKKJNF-NEPJUHHUSA-N 2 1 318.408 3.222 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246564181 1104597920 /nfs/dbraw/zinc/59/79/20/1104597920.db2.gz WLAFSOMWNKKJNF-NEPJUHHUSA-N 2 1 318.408 3.222 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001246585090 1104606337 /nfs/dbraw/zinc/60/63/37/1104606337.db2.gz ODJGSCPPYDVATD-LJQANCHMSA-N 2 1 319.468 3.245 20 0 DGADMP F[C@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CCCC1(F)F ZINC001246591091 1104610813 /nfs/dbraw/zinc/61/08/13/1104610813.db2.gz VQJXGYJDZLQNLI-SLTAFYQDSA-N 2 1 304.400 3.368 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001246593465 1104612576 /nfs/dbraw/zinc/61/25/76/1104612576.db2.gz HZSDHGWMZZFEOH-OLZOCXBDSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001246593465 1104612580 /nfs/dbraw/zinc/61/25/80/1104612580.db2.gz HZSDHGWMZZFEOH-OLZOCXBDSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599065 1104616657 /nfs/dbraw/zinc/61/66/57/1104616657.db2.gz AHZHCGIZNCQHBN-CXAGYDPISA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599065 1104616661 /nfs/dbraw/zinc/61/66/61/1104616661.db2.gz AHZHCGIZNCQHBN-CXAGYDPISA-N 2 1 310.844 3.486 20 0 DGADMP C1CCC2(CC1)CCC[C@H]([N@H+]1CCOC3(CC[NH2+]CC3)C1)C2 ZINC001246602043 1104617940 /nfs/dbraw/zinc/61/79/40/1104617940.db2.gz IIHHGAVHHPKHQU-KRWDZBQOSA-N 2 1 306.494 3.334 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246602655 1104618104 /nfs/dbraw/zinc/61/81/04/1104618104.db2.gz ILRKESKNGUNLAZ-CRAIPNDOSA-N 2 1 304.865 3.273 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601929 1104618814 /nfs/dbraw/zinc/61/88/14/1104618814.db2.gz HXSULNRXQORGCY-WSTZPKSXSA-N 3 1 321.553 3.399 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601929 1104618820 /nfs/dbraw/zinc/61/88/20/1104618820.db2.gz HXSULNRXQORGCY-WSTZPKSXSA-N 2 1 321.553 3.399 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601927 1104618972 /nfs/dbraw/zinc/61/89/72/1104618972.db2.gz HXSULNRXQORGCY-HBFSDRIKSA-N 3 1 321.553 3.399 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601927 1104618977 /nfs/dbraw/zinc/61/89/77/1104618977.db2.gz HXSULNRXQORGCY-HBFSDRIKSA-N 2 1 321.553 3.399 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246602657 1104619003 /nfs/dbraw/zinc/61/90/03/1104619003.db2.gz ILRKESKNGUNLAZ-QAPCUYQASA-N 2 1 304.865 3.273 20 0 DGADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246604369 1104619886 /nfs/dbraw/zinc/61/98/86/1104619886.db2.gz LGVOOVMAVHKRIM-MJGOQNOKSA-N 2 1 301.478 3.258 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246602798 1104620082 /nfs/dbraw/zinc/62/00/82/1104620082.db2.gz PQKSKUHHNOTBMW-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246602798 1104620085 /nfs/dbraw/zinc/62/00/85/1104620085.db2.gz PQKSKUHHNOTBMW-ICSRJNTNSA-N 2 1 317.521 3.013 20 0 DGADMP Clc1cccc2c1C[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246606451 1104622653 /nfs/dbraw/zinc/62/26/53/1104622653.db2.gz ARAHYFALMAMQLW-HNNXBMFYSA-N 2 1 304.865 3.415 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246607834 1104623954 /nfs/dbraw/zinc/62/39/54/1104623954.db2.gz FYCQYMRLBBEVGT-MOPGFXCFSA-N 2 1 302.437 3.149 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001246608723 1104624083 /nfs/dbraw/zinc/62/40/83/1104624083.db2.gz VPCNZVXUSWAENZ-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246607424 1104625044 /nfs/dbraw/zinc/62/50/44/1104625044.db2.gz DRMOIQVJFJDIST-KRWDZBQOSA-N 2 1 304.865 3.415 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246611280 1104626202 /nfs/dbraw/zinc/62/62/02/1104626202.db2.gz OPCLKMDSDXXVGP-QFBILLFUSA-N 2 1 320.427 3.288 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001246610577 1104626851 /nfs/dbraw/zinc/62/68/51/1104626851.db2.gz PNKLGRCWRKMIDN-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)C2 ZINC001246613871 1104628151 /nfs/dbraw/zinc/62/81/51/1104628151.db2.gz ZHBULMLBQZMNIO-QZTJIDSGSA-N 2 1 304.865 3.273 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246623056 1104632860 /nfs/dbraw/zinc/63/28/60/1104632860.db2.gz JNEPYIJUCXOLKY-JHDROBOHSA-N 2 1 313.489 3.294 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc2c1 ZINC001246628164 1104634684 /nfs/dbraw/zinc/63/46/84/1104634684.db2.gz BBRGEDZDTYHVMB-MFMILTCTSA-N 2 1 324.468 3.463 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246626701 1104634760 /nfs/dbraw/zinc/63/47/60/1104634760.db2.gz STSCMHJBVTYOMQ-KFWWJZLASA-N 2 1 308.491 3.221 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001246626247 1104634805 /nfs/dbraw/zinc/63/48/05/1104634805.db2.gz HRWIEOMHXGJKAH-ZACQAIPSSA-N 2 1 304.503 3.407 20 0 DGADMP CCCCC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275120940 1104635202 /nfs/dbraw/zinc/63/52/02/1104635202.db2.gz PHMHPDAVEAYZIG-UHFFFAOYSA-N 2 1 318.509 3.251 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630931 1104637006 /nfs/dbraw/zinc/63/70/06/1104637006.db2.gz MEGMZIQINMSVJH-OFQRWUPVSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630931 1104637012 /nfs/dbraw/zinc/63/70/12/1104637012.db2.gz MEGMZIQINMSVJH-OFQRWUPVSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629743 1104637024 /nfs/dbraw/zinc/63/70/24/1104637024.db2.gz ZNOFUVQWSBVWRL-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634415 1104638222 /nfs/dbraw/zinc/63/82/22/1104638222.db2.gz NMHAGJYNFSPPSC-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@H]21 ZINC001246637573 1104640404 /nfs/dbraw/zinc/64/04/04/1104640404.db2.gz YQLGFWCFVAUSMP-BPOAAREJSA-N 2 1 311.473 3.050 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(C1)C[NH2+]CCC3(F)F)CC2 ZINC001246636990 1104640794 /nfs/dbraw/zinc/64/07/94/1104640794.db2.gz IGXRUQWVQQKOIL-MSOLQXFVSA-N 2 1 320.427 3.173 20 0 DGADMP C1CCC2(CC1)CCC([N@@H+]1CCOCC13CC[NH2+]CC3)CC2 ZINC001246646340 1104643379 /nfs/dbraw/zinc/64/33/79/1104643379.db2.gz YPBWFDPPMAGZIK-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP C1CCC2(CC1)CCC([N@H+]1CCOCC13CC[NH2+]CC3)CC2 ZINC001246646340 1104643382 /nfs/dbraw/zinc/64/33/82/1104643382.db2.gz YPBWFDPPMAGZIK-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP CC(C)(C)C1CCC([N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246645410 1104643848 /nfs/dbraw/zinc/64/38/48/1104643848.db2.gz KTXAKULKEJTDPX-FAFZWHIHSA-N 2 1 308.510 3.293 20 0 DGADMP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCOCC13CC[NH2+]CC3)C2 ZINC001246645256 1104644182 /nfs/dbraw/zinc/64/41/82/1104644182.db2.gz UKSGDOWSMZHHAK-QGZVFWFLSA-N 2 1 306.494 3.334 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246648125 1104645984 /nfs/dbraw/zinc/64/59/84/1104645984.db2.gz KXGWECMLGWPDFO-VQTJNVASSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648125 1104645986 /nfs/dbraw/zinc/64/59/86/1104645986.db2.gz KXGWECMLGWPDFO-VQTJNVASSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648125 1104645990 /nfs/dbraw/zinc/64/59/90/1104645990.db2.gz KXGWECMLGWPDFO-VQTJNVASSA-N 2 1 316.489 3.098 20 0 DGADMP COc1cccc(C[C@H](C)[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001246649790 1104647659 /nfs/dbraw/zinc/64/76/59/1104647659.db2.gz FBMKTDAUDVLTDT-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001246649790 1104647660 /nfs/dbraw/zinc/64/76/60/1104647660.db2.gz FBMKTDAUDVLTDT-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246652485 1104649631 /nfs/dbraw/zinc/64/96/31/1104649631.db2.gz PWLBWXBJLURCMX-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246652485 1104649634 /nfs/dbraw/zinc/64/96/34/1104649634.db2.gz PWLBWXBJLURCMX-LPHOPBHVSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cc2c(cc1F)CC([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C2 ZINC001246655537 1104651404 /nfs/dbraw/zinc/65/14/04/1104651404.db2.gz MCQJMCXWEKPQOV-LJQANCHMSA-N 2 1 320.427 3.286 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001246663872 1104654443 /nfs/dbraw/zinc/65/44/43/1104654443.db2.gz CRCNELIAIQNPPQ-NQAMIAIDSA-N 2 1 310.485 3.355 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001246663872 1104654446 /nfs/dbraw/zinc/65/44/46/1104654446.db2.gz CRCNELIAIQNPPQ-NQAMIAIDSA-N 2 1 310.485 3.355 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001246667453 1104656097 /nfs/dbraw/zinc/65/60/97/1104656097.db2.gz ZMVCVFKKLWUINU-FFZOFVMBSA-N 2 1 315.505 3.068 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246667453 1104656103 /nfs/dbraw/zinc/65/61/03/1104656103.db2.gz ZMVCVFKKLWUINU-FFZOFVMBSA-N 2 1 315.505 3.068 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)ccc2c1 ZINC001246674923 1104657128 /nfs/dbraw/zinc/65/71/28/1104657128.db2.gz OYVFROVJYSUMSD-DLVCFXQMSA-N 2 1 324.468 3.463 20 0 DGADMP C1C[NH2+]C[C@@H]([C@H]2CCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)C1 ZINC001246679072 1104658984 /nfs/dbraw/zinc/65/89/84/1104658984.db2.gz RSBLSMUBNXOGNJ-VCAKUFKGSA-N 3 1 319.537 3.010 20 0 DGADMP C[C@@H](Cc1ccco1)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246683329 1104660707 /nfs/dbraw/zinc/66/07/07/1104660707.db2.gz RKTIUXXVCJVIAF-PWIZWCRZSA-N 2 1 310.441 3.290 20 0 DGADMP CCCC[C@@H]1C[C@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246773554 1104668329 /nfs/dbraw/zinc/66/83/29/1104668329.db2.gz ARDFYUAXWGAQLT-VAMGGRTRSA-N 2 1 315.505 3.286 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246775504 1104669222 /nfs/dbraw/zinc/66/92/22/1104669222.db2.gz AQWKLEAYXQEFJL-RCCFBDPRSA-N 2 1 302.462 3.225 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246775501 1104669392 /nfs/dbraw/zinc/66/93/92/1104669392.db2.gz AQWKLEAYXQEFJL-KURKYZTESA-N 2 1 302.462 3.225 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)cc1 ZINC001246780941 1104671096 /nfs/dbraw/zinc/67/10/96/1104671096.db2.gz AOZFJQDNRVCUKU-SKINQDTJSA-N 2 1 314.473 3.452 20 0 DGADMP c1ccc([C@@H]2CCC[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246781906 1104671755 /nfs/dbraw/zinc/67/17/55/1104671755.db2.gz YJORFJUKXZGCHV-XEVCZEQESA-N 2 1 314.473 3.167 20 0 DGADMP COC(=O)CC[N@@H+](C1CCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246784742 1104673634 /nfs/dbraw/zinc/67/36/34/1104673634.db2.gz ZARIGJLEYGRRQB-UHFFFAOYSA-N 2 1 322.493 3.107 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC001246794241 1104679105 /nfs/dbraw/zinc/67/91/05/1104679105.db2.gz GINPNDCRZADPTQ-LJIGWXMPSA-N 2 1 324.390 3.493 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246808209 1104683694 /nfs/dbraw/zinc/68/36/94/1104683694.db2.gz SNPKLQNNEQGNPQ-IXEWLPCDSA-N 2 1 318.486 3.068 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246808209 1104683698 /nfs/dbraw/zinc/68/36/98/1104683698.db2.gz SNPKLQNNEQGNPQ-IXEWLPCDSA-N 2 1 318.486 3.068 20 0 DGADMP C[N@@H+](CCc1ccc(Cl)cc1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246812023 1104686680 /nfs/dbraw/zinc/68/66/80/1104686680.db2.gz BZLBTTMCYSJJHV-UHFFFAOYSA-N 2 1 322.880 3.116 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246812929 1104687613 /nfs/dbraw/zinc/68/76/13/1104687613.db2.gz FRLQCMVZHOQGLN-MJGOQNOKSA-N 2 1 302.462 3.092 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246839204 1104699389 /nfs/dbraw/zinc/69/93/89/1104699389.db2.gz IAIYZNNOLJRUIB-IUODEOHRSA-N 2 1 311.267 3.412 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246839608 1104699600 /nfs/dbraw/zinc/69/96/00/1104699600.db2.gz CXQMHRAHVIOYNU-NMLBUPMWSA-N 2 1 314.473 3.341 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246839208 1104700112 /nfs/dbraw/zinc/70/01/12/1104700112.db2.gz IAIYZNNOLJRUIB-WFASDCNBSA-N 2 1 311.267 3.412 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246842438 1104703255 /nfs/dbraw/zinc/70/32/55/1104703255.db2.gz SBWVGKNANPZLMA-OEYIWLLWSA-N 2 1 323.278 3.049 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246842438 1104703264 /nfs/dbraw/zinc/70/32/64/1104703264.db2.gz SBWVGKNANPZLMA-OEYIWLLWSA-N 2 1 323.278 3.049 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(C)c1 ZINC001275283549 1104703785 /nfs/dbraw/zinc/70/37/85/1104703785.db2.gz ORTWZIDFBZUIGP-UHFFFAOYSA-N 2 1 324.472 3.125 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246844920 1104704699 /nfs/dbraw/zinc/70/46/99/1104704699.db2.gz JKQHSISLVOPUNI-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246852079 1104706624 /nfs/dbraw/zinc/70/66/24/1104706624.db2.gz OXOSJZXPBWJRFO-WBVHZDCISA-N 2 1 320.864 3.325 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246849870 1104706928 /nfs/dbraw/zinc/70/69/28/1104706928.db2.gz GKLRCCHZPANMMH-MMNPAVHPSA-N 2 1 320.864 3.181 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246849329 1104706955 /nfs/dbraw/zinc/70/69/55/1104706955.db2.gz ZRENQNUQBYUHCQ-YUELXQCFSA-N 2 1 312.379 3.178 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246849325 1104707045 /nfs/dbraw/zinc/70/70/45/1104707045.db2.gz ZRENQNUQBYUHCQ-SNPRPXQTSA-N 2 1 312.379 3.178 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c(C)c1 ZINC001246851518 1104707135 /nfs/dbraw/zinc/70/71/35/1104707135.db2.gz KPJOZMWIRPOHOJ-RTBURBONSA-N 2 1 315.505 3.202 20 0 DGADMP CCCCC(CCCC)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246855710 1104709191 /nfs/dbraw/zinc/70/91/91/1104709191.db2.gz PRFJDJCMHMDWMC-VQIMIIECSA-N 2 1 324.509 3.210 20 0 DGADMP COc1cccc(CCC[N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246864046 1104710421 /nfs/dbraw/zinc/71/04/21/1104710421.db2.gz OGGCEZZERQOSGM-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP CCCCC[C@@H](CCC)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856845 1104710444 /nfs/dbraw/zinc/71/04/44/1104710444.db2.gz WDLOHNMTHRQLMR-ZHALLVOQSA-N 2 1 324.509 3.210 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246862689 1104710590 /nfs/dbraw/zinc/71/05/90/1104710590.db2.gz MPPFQIDKCHJZGV-ICSRJNTNSA-N 2 1 316.489 3.482 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246862694 1104710826 /nfs/dbraw/zinc/71/08/26/1104710826.db2.gz MPPFQIDKCHJZGV-UYAOXDASSA-N 2 1 316.489 3.482 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001246865715 1104712821 /nfs/dbraw/zinc/71/28/21/1104712821.db2.gz WRCTYIFDGSFZHP-OCCSQVGLSA-N 2 1 300.368 3.178 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866021 1104713307 /nfs/dbraw/zinc/71/33/07/1104713307.db2.gz XXRNBQLCVNJROR-RYUDHWBXSA-N 2 1 301.261 3.466 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866021 1104713314 /nfs/dbraw/zinc/71/33/14/1104713314.db2.gz XXRNBQLCVNJROR-RYUDHWBXSA-N 2 1 301.261 3.466 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246871216 1104715224 /nfs/dbraw/zinc/71/52/24/1104715224.db2.gz DICDBLJFNDMHJN-SCWSEQNSSA-N 2 1 324.443 3.230 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246873443 1104716636 /nfs/dbraw/zinc/71/66/36/1104716636.db2.gz GTTUXUVOKXOJMK-IAGOWNOFSA-N 2 1 318.461 3.072 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246873443 1104716643 /nfs/dbraw/zinc/71/66/43/1104716643.db2.gz GTTUXUVOKXOJMK-IAGOWNOFSA-N 2 1 318.461 3.072 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246878582 1104718171 /nfs/dbraw/zinc/71/81/71/1104718171.db2.gz WWEPVVDYXHMPDK-CVEARBPZSA-N 2 1 322.493 3.105 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246880682 1104719752 /nfs/dbraw/zinc/71/97/52/1104719752.db2.gz KKPZSIKUFBOLDI-BRWVUGGUSA-N 2 1 324.509 3.493 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCNC[C@H]2c2cccs2)CC1 ZINC001246884232 1104721570 /nfs/dbraw/zinc/72/15/70/1104721570.db2.gz HYAXQHAMUPVSAN-JCYILVPMSA-N 2 1 321.534 3.347 20 0 DGADMP CC[NH+](CC)C1CCC(N2CC[NH2+]C[C@H]2c2cccs2)CC1 ZINC001246884232 1104721576 /nfs/dbraw/zinc/72/15/76/1104721576.db2.gz HYAXQHAMUPVSAN-JCYILVPMSA-N 2 1 321.534 3.347 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246886742 1104722876 /nfs/dbraw/zinc/72/28/76/1104722876.db2.gz IBGMTWVRLOGAIN-UYAOXDASSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246886739 1104723014 /nfs/dbraw/zinc/72/30/14/1104723014.db2.gz IBGMTWVRLOGAIN-QUCCMNQESA-N 2 1 316.489 3.182 20 0 DGADMP CCN(CC[NH2+]C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246889877 1104725704 /nfs/dbraw/zinc/72/57/04/1104725704.db2.gz GQSBNFZKPBEOSX-PMOLBWCYSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246891830 1104726287 /nfs/dbraw/zinc/72/62/87/1104726287.db2.gz YMMUVNIPKCEDNI-XKGZKEIXSA-N 2 1 316.489 3.480 20 0 DGADMP CCCC[C@H]1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246904297 1104730394 /nfs/dbraw/zinc/73/03/94/1104730394.db2.gz VMCJNMZEOPJDFZ-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CCOc1ccc(C)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275345478 1104730816 /nfs/dbraw/zinc/73/08/16/1104730816.db2.gz BOQMUSGWWZULIU-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275345478 1104730821 /nfs/dbraw/zinc/73/08/21/1104730821.db2.gz BOQMUSGWWZULIU-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275345478 1104730826 /nfs/dbraw/zinc/73/08/26/1104730826.db2.gz BOQMUSGWWZULIU-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001275345478 1104730834 /nfs/dbraw/zinc/73/08/34/1104730834.db2.gz BOQMUSGWWZULIU-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)CC1 ZINC001246907404 1104731603 /nfs/dbraw/zinc/73/16/03/1104731603.db2.gz RCKABYIIAZZFOY-BZSNNMDCSA-N 2 1 324.509 3.210 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1CC ZINC001275352382 1104733578 /nfs/dbraw/zinc/73/35/78/1104733578.db2.gz OEGWHLGEZGNKAG-KDURUIRLSA-N 2 1 316.489 3.421 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1CC ZINC001275352382 1104733582 /nfs/dbraw/zinc/73/35/82/1104733582.db2.gz OEGWHLGEZGNKAG-KDURUIRLSA-N 2 1 316.489 3.421 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1CC ZINC001275352382 1104733588 /nfs/dbraw/zinc/73/35/88/1104733588.db2.gz OEGWHLGEZGNKAG-KDURUIRLSA-N 2 1 316.489 3.421 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246911794 1104734414 /nfs/dbraw/zinc/73/44/14/1104734414.db2.gz DNJWLCJSDTYHTH-HHARLNAUSA-N 2 1 322.493 3.102 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+](C3C[C@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246914085 1104735790 /nfs/dbraw/zinc/73/57/90/1104735790.db2.gz JONHZZFKRAHWED-BQFCYCMXSA-N 2 1 316.489 3.479 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246917890 1104736445 /nfs/dbraw/zinc/73/64/45/1104736445.db2.gz YFUVCQVYRFJXTL-QRVBRYPASA-N 2 1 316.489 3.480 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246920967 1104739190 /nfs/dbraw/zinc/73/91/90/1104739190.db2.gz PSTHONXXGQFXNM-UYSNPLJNSA-N 2 1 308.416 3.285 20 0 DGADMP CC1(C)C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939632 1104744137 /nfs/dbraw/zinc/74/41/37/1104744137.db2.gz BSKVGXTWIZMLDF-ZWKOTPCHSA-N 2 1 320.452 3.337 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939632 1104744142 /nfs/dbraw/zinc/74/41/42/1104744142.db2.gz BSKVGXTWIZMLDF-ZWKOTPCHSA-N 2 1 320.452 3.337 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246937625 1104744224 /nfs/dbraw/zinc/74/42/24/1104744224.db2.gz JFSKKZNEEWIHLE-SWLSCSKDSA-N 2 1 300.368 3.320 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246937625 1104744230 /nfs/dbraw/zinc/74/42/30/1104744230.db2.gz JFSKKZNEEWIHLE-SWLSCSKDSA-N 2 1 300.368 3.320 20 0 DGADMP CC1(C)C[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939629 1104744656 /nfs/dbraw/zinc/74/46/56/1104744656.db2.gz BSKVGXTWIZMLDF-QZTJIDSGSA-N 2 1 320.452 3.337 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939629 1104744659 /nfs/dbraw/zinc/74/46/59/1104744659.db2.gz BSKVGXTWIZMLDF-QZTJIDSGSA-N 2 1 320.452 3.337 20 0 DGADMP CC1(C)C[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CO1 ZINC001246939656 1104746132 /nfs/dbraw/zinc/74/61/32/1104746132.db2.gz BTVISZLIIWDADO-SFHVURJKSA-N 2 1 320.452 3.195 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001246941806 1104746150 /nfs/dbraw/zinc/74/61/50/1104746150.db2.gz IDHPXXBFWDGOLI-IZZQQSIFSA-N 2 1 302.437 3.426 20 0 DGADMP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001275400496 1104747022 /nfs/dbraw/zinc/74/70/22/1104747022.db2.gz RASCNTXJJVGFAW-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001275400496 1104747027 /nfs/dbraw/zinc/74/70/27/1104747027.db2.gz RASCNTXJJVGFAW-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001275400496 1104747030 /nfs/dbraw/zinc/74/70/30/1104747030.db2.gz RASCNTXJJVGFAW-CALCHBBNSA-N 2 1 317.452 3.307 20 0 DGADMP C1CC2(C[NH2+]1)CCC([N@H+]1CCOC[C@H]1C1CCCCC1)CC2 ZINC001246946632 1104747040 /nfs/dbraw/zinc/74/70/40/1104747040.db2.gz REQIVZIGUASSCU-XBMUEBEBSA-N 2 1 306.494 3.190 20 0 DGADMP FC(F)(F)Oc1ccc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC001246944823 1104747134 /nfs/dbraw/zinc/74/71/34/1104747134.db2.gz CQLLGRULPVSWFN-OAHLLOKOSA-N 2 1 314.351 3.474 20 0 DGADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246948482 1104747970 /nfs/dbraw/zinc/74/79/70/1104747970.db2.gz QQDFEBKHTMFPGA-YYWXWVFPSA-N 2 1 311.256 3.000 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246947615 1104748167 /nfs/dbraw/zinc/74/81/67/1104748167.db2.gz GHHJIQAWSCFQDA-MSOLQXFVSA-N 2 1 319.468 3.114 20 0 DGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949540 1104749672 /nfs/dbraw/zinc/74/96/72/1104749672.db2.gz UAOKSNOSQBWHQI-CNXAATOLSA-N 2 1 313.272 3.464 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)c1 ZINC001246949617 1104749972 /nfs/dbraw/zinc/74/99/72/1104749972.db2.gz USAWEUJLZBHCCW-ZJRDLVKKSA-N 2 1 314.473 3.407 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246949814 1104750021 /nfs/dbraw/zinc/75/00/21/1104750021.db2.gz QRNBSRLUHOJJHV-MOPGFXCFSA-N 2 1 315.505 3.202 20 0 DGADMP Cc1cc(F)cc(C[N@H+]([C@@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c1 ZINC001246952839 1104751370 /nfs/dbraw/zinc/75/13/70/1104751370.db2.gz XPRZHBSOPNVJHM-SFHVURJKSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]([C@@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c1 ZINC001246952839 1104751374 /nfs/dbraw/zinc/75/13/74/1104751374.db2.gz XPRZHBSOPNVJHM-SFHVURJKSA-N 2 1 320.452 3.256 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246970705 1104755473 /nfs/dbraw/zinc/75/54/73/1104755473.db2.gz CDPRVIVWMLCKRB-SUMWQHHRSA-N 2 1 320.427 3.286 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246967222 1104755530 /nfs/dbraw/zinc/75/55/30/1104755530.db2.gz MMKFQAPAOKZXGV-GPMSIDNRSA-N 2 1 317.477 3.234 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246972083 1104756076 /nfs/dbraw/zinc/75/60/76/1104756076.db2.gz CKVYNFIPXUKENX-SJORKVTESA-N 2 1 318.461 3.058 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246972293 1104756363 /nfs/dbraw/zinc/75/63/63/1104756363.db2.gz CWZOLUTXNRPEBV-CJNGLKHVSA-N 2 1 308.416 3.144 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974333 1104756721 /nfs/dbraw/zinc/75/67/21/1104756721.db2.gz RCEBAJISWJZAHR-DYVFJYSZSA-N 2 1 320.864 3.108 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974333 1104756728 /nfs/dbraw/zinc/75/67/28/1104756728.db2.gz RCEBAJISWJZAHR-DYVFJYSZSA-N 2 1 320.864 3.108 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246972295 1104756758 /nfs/dbraw/zinc/75/67/58/1104756758.db2.gz CWZOLUTXNRPEBV-XJKSGUPXSA-N 2 1 308.416 3.144 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@H](Oc3ncccc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246972844 1104757155 /nfs/dbraw/zinc/75/71/55/1104757155.db2.gz JOZOZSWTZYULOQ-NUJGCVRESA-N 2 1 317.477 3.152 20 0 DGADMP CCC(CC)[N@@H+]([C@H](C)c1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246973487 1104757278 /nfs/dbraw/zinc/75/72/78/1104757278.db2.gz JTESSVGPWJAZKG-APWZRJJASA-N 2 1 315.505 3.332 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246974751 1104758196 /nfs/dbraw/zinc/75/81/96/1104758196.db2.gz RSCKUPOKMDCLJE-VBSBHUPXSA-N 3 1 315.505 3.207 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]12 ZINC001246978163 1104759490 /nfs/dbraw/zinc/75/94/90/1104759490.db2.gz UPNALAJCCVHIDV-VPQCEGQDSA-N 2 1 310.485 3.482 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246976944 1104759952 /nfs/dbraw/zinc/75/99/52/1104759952.db2.gz GMJHJLZVPKQGGP-MAUKXSAKSA-N 2 1 318.461 3.404 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246978038 1104760098 /nfs/dbraw/zinc/76/00/98/1104760098.db2.gz RWDSQVDFADBWKG-GOSISDBHSA-N 2 1 304.865 3.414 20 0 DGADMP CN(C)c1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001275442756 1104760552 /nfs/dbraw/zinc/76/05/52/1104760552.db2.gz FBGBKYATDMJRIS-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246979305 1104761059 /nfs/dbraw/zinc/76/10/59/1104761059.db2.gz OLQLCGHLJFSBMQ-APWZRJJASA-N 2 1 316.445 3.160 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2C2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246993076 1104766659 /nfs/dbraw/zinc/76/66/59/1104766659.db2.gz KFNRGWPPRFDJAN-DEYYWGMASA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246993082 1104766716 /nfs/dbraw/zinc/76/67/16/1104766716.db2.gz KFNRGWPPRFDJAN-LTCOOKNTSA-N 2 1 316.445 3.139 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996975 1104768944 /nfs/dbraw/zinc/76/89/44/1104768944.db2.gz JEOBCQGQFWBFGQ-ZRGWGRIASA-N 2 1 302.437 3.246 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246995693 1104769312 /nfs/dbraw/zinc/76/93/12/1104769312.db2.gz CZMVQNGEHZKOSG-MGPUTAFESA-N 2 1 314.448 3.248 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001247001226 1104771684 /nfs/dbraw/zinc/77/16/84/1104771684.db2.gz ZDIGYALPFMARPL-BEFAXECRSA-N 2 1 302.437 3.248 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001247006393 1104774420 /nfs/dbraw/zinc/77/44/20/1104774420.db2.gz UFYBMCZWTKDLFF-OAGGEKHMSA-N 2 1 319.468 3.033 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC[NH2+]1 ZINC001247004546 1104774520 /nfs/dbraw/zinc/77/45/20/1104774520.db2.gz DEWNXOXBHDTKJO-KKUMJFAQSA-N 2 1 319.880 3.134 20 0 DGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001247004428 1104774586 /nfs/dbraw/zinc/77/45/86/1104774586.db2.gz CBDXPODCFHJNIS-ZTFGCOKTSA-N 2 1 316.445 3.141 20 0 DGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007569 1104774668 /nfs/dbraw/zinc/77/46/68/1104774668.db2.gz YJXCJIFVVDRMLF-MAUKXSAKSA-N 2 1 319.468 3.035 20 0 DGADMP CCCCCC[C@@H](CC)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247010894 1104775945 /nfs/dbraw/zinc/77/59/45/1104775945.db2.gz WLMYMFLWWDGGEJ-SJORKVTESA-N 2 1 324.509 3.210 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008918 1104775966 /nfs/dbraw/zinc/77/59/66/1104775966.db2.gz ZJMHZRFAZGDSTL-AHEZYBDSSA-N 2 1 319.880 3.454 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247008918 1104775969 /nfs/dbraw/zinc/77/59/69/1104775969.db2.gz ZJMHZRFAZGDSTL-AHEZYBDSSA-N 2 1 319.880 3.454 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247015811 1104779616 /nfs/dbraw/zinc/77/96/16/1104779616.db2.gz QEWSGRWHFLUMGY-RKVPGOIHSA-N 2 1 304.865 3.271 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247015875 1104779732 /nfs/dbraw/zinc/77/97/32/1104779732.db2.gz QTMTVWVGJDRBJL-RLFYNMQTSA-N 2 1 304.865 3.271 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@H]2CC1 ZINC001275601290 1104828634 /nfs/dbraw/zinc/82/86/34/1104828634.db2.gz GLMSPQTZZMRWMY-HDICACEKSA-N 2 1 309.457 3.251 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@H]2CC1 ZINC001275601290 1104828644 /nfs/dbraw/zinc/82/86/44/1104828644.db2.gz GLMSPQTZZMRWMY-HDICACEKSA-N 2 1 309.457 3.251 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3-n3cccc3)C[C@H]2CC1 ZINC001275601290 1104828653 /nfs/dbraw/zinc/82/86/53/1104828653.db2.gz GLMSPQTZZMRWMY-HDICACEKSA-N 2 1 309.457 3.251 20 0 DGADMP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)s1 ZINC001275864539 1104937067 /nfs/dbraw/zinc/93/70/67/1104937067.db2.gz ZIBBBDLSJFUSOK-MSOLQXFVSA-N 2 1 321.534 3.143 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)c1 ZINC001275867224 1104937685 /nfs/dbraw/zinc/93/76/85/1104937685.db2.gz ZGPWYVRGOBXPNB-ALOPSCKCSA-N 2 1 301.459 3.361 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccsc2)c1 ZINC001275867224 1104937687 /nfs/dbraw/zinc/93/76/87/1104937687.db2.gz ZGPWYVRGOBXPNB-ALOPSCKCSA-N 2 1 301.459 3.361 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3sc(Cl)nc3Cl)C[C@H]2CC1 ZINC001275866836 1104938484 /nfs/dbraw/zinc/93/84/84/1104938484.db2.gz ULJOVBZXIMNCCW-AOOOYVTPSA-N 2 1 320.289 3.224 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3sc(Cl)nc3Cl)C[C@H]2CC1 ZINC001275866836 1104938488 /nfs/dbraw/zinc/93/84/88/1104938488.db2.gz ULJOVBZXIMNCCW-AOOOYVTPSA-N 2 1 320.289 3.224 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3sc(Cl)nc3Cl)C[C@H]2CC1 ZINC001275866836 1104938490 /nfs/dbraw/zinc/93/84/90/1104938490.db2.gz ULJOVBZXIMNCCW-AOOOYVTPSA-N 2 1 320.289 3.224 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3sc(Cl)nc3Cl)C[C@H]2CC1 ZINC001275866836 1104938494 /nfs/dbraw/zinc/93/84/94/1104938494.db2.gz ULJOVBZXIMNCCW-AOOOYVTPSA-N 2 1 320.289 3.224 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001275911761 1104952719 /nfs/dbraw/zinc/95/27/19/1104952719.db2.gz ATRANSPVIKAQBT-UHFFFAOYSA-N 2 1 309.457 3.421 20 0 DGADMP CCOc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ccc1OC ZINC001275924567 1104957336 /nfs/dbraw/zinc/95/73/36/1104957336.db2.gz VVWDHEVOULDIGH-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001247698779 1104958740 /nfs/dbraw/zinc/95/87/40/1104958740.db2.gz NHMXNKNTCAMRIO-LLVKDONJSA-N 2 1 315.204 3.172 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccn1)CC2 ZINC001275944250 1104963203 /nfs/dbraw/zinc/96/32/03/1104963203.db2.gz BVKKNIJAAFNHIY-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccn1)CC2 ZINC001275944250 1104963214 /nfs/dbraw/zinc/96/32/14/1104963214.db2.gz BVKKNIJAAFNHIY-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP COC(C)(C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276027238 1104990972 /nfs/dbraw/zinc/99/09/72/1104990972.db2.gz XAYAMTJPQQQMPF-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP COC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276027238 1104990977 /nfs/dbraw/zinc/99/09/77/1104990977.db2.gz XAYAMTJPQQQMPF-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP COC(C)(C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276027238 1104990978 /nfs/dbraw/zinc/99/09/78/1104990978.db2.gz XAYAMTJPQQQMPF-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP COC(C)(C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276027238 1104990982 /nfs/dbraw/zinc/99/09/82/1104990982.db2.gz XAYAMTJPQQQMPF-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])CC3CCCC3)n2)cc1 ZINC001247836228 1104998740 /nfs/dbraw/zinc/99/87/40/1104998740.db2.gz XPGQYDBPMRPPFX-MRXNPFEDSA-N 2 1 314.433 3.378 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3nc4c(s3)CCCC4)CC2)C1 ZINC001276071055 1105008505 /nfs/dbraw/zinc/00/85/05/1105008505.db2.gz BDOIFTOGGQGCBU-UHFFFAOYSA-N 2 1 319.518 3.330 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3nc4c(s3)CCCC4)CC2)C1 ZINC001276071055 1105008513 /nfs/dbraw/zinc/00/85/13/1105008513.db2.gz BDOIFTOGGQGCBU-UHFFFAOYSA-N 2 1 319.518 3.330 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])CC(C)(C)C)n2)cc1 ZINC001248190912 1105064524 /nfs/dbraw/zinc/06/45/24/1105064524.db2.gz YQUQJHNMTIJSFM-AWEZNQCLSA-N 2 1 302.422 3.234 20 0 DGADMP Fc1cnccc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276297399 1105082396 /nfs/dbraw/zinc/08/23/96/1105082396.db2.gz MTMIPJUADZERSF-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001257384774 1105132673 /nfs/dbraw/zinc/13/26/73/1105132673.db2.gz ATNBVJSZKBEGGD-INIZCTEOSA-N 2 1 312.498 3.482 20 0 DGADMP c1cc2n(c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)CCC2 ZINC001248823004 1105171552 /nfs/dbraw/zinc/17/15/52/1105171552.db2.gz GHNSKZNQGWNBAS-QGZVFWFLSA-N 2 1 301.478 3.275 20 0 DGADMP c1cc2n(c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)CCC2 ZINC001248823004 1105171557 /nfs/dbraw/zinc/17/15/57/1105171557.db2.gz GHNSKZNQGWNBAS-QGZVFWFLSA-N 2 1 301.478 3.275 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(F)cc4cc[nH]c43)C[C@@H]2C1 ZINC001249525973 1105305687 /nfs/dbraw/zinc/30/56/87/1105305687.db2.gz JWOJOKVCXXMLDZ-HOTGVXAUSA-N 2 1 301.409 3.081 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1[nH]nc2ccccc21 ZINC001137350885 1105495850 /nfs/dbraw/zinc/49/58/50/1105495850.db2.gz JOFPFMJPJFZNDY-HOTGVXAUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1[nH]nc2ccccc21 ZINC001137350885 1105495854 /nfs/dbraw/zinc/49/58/54/1105495854.db2.gz JOFPFMJPJFZNDY-HOTGVXAUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1[nH]nc2ccccc21 ZINC001137350885 1105495858 /nfs/dbraw/zinc/49/58/58/1105495858.db2.gz JOFPFMJPJFZNDY-HOTGVXAUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC001137350885 1105495862 /nfs/dbraw/zinc/49/58/62/1105495862.db2.gz JOFPFMJPJFZNDY-HOTGVXAUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2ncccc12 ZINC001137404151 1105515019 /nfs/dbraw/zinc/51/50/19/1105515019.db2.gz CKZKMWRVIYSGBX-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC001137404151 1105515026 /nfs/dbraw/zinc/51/50/26/1105515026.db2.gz CKZKMWRVIYSGBX-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC001137404151 1105515029 /nfs/dbraw/zinc/51/50/29/1105515029.db2.gz CKZKMWRVIYSGBX-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP CCCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252114391 1105742615 /nfs/dbraw/zinc/74/26/15/1105742615.db2.gz BWHOIVGRBGUPPZ-MOPGFXCFSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252114391 1105742617 /nfs/dbraw/zinc/74/26/17/1105742617.db2.gz BWHOIVGRBGUPPZ-MOPGFXCFSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252114392 1105742767 /nfs/dbraw/zinc/74/27/67/1105742767.db2.gz BWHOIVGRBGUPPZ-OALUTQOASA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252114392 1105742769 /nfs/dbraw/zinc/74/27/69/1105742769.db2.gz BWHOIVGRBGUPPZ-OALUTQOASA-N 2 1 318.505 3.428 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[nH]n1 ZINC001252163719 1105751377 /nfs/dbraw/zinc/75/13/77/1105751377.db2.gz BAMJUKVLOFMVPR-UHFFFAOYSA-N 2 1 324.428 3.233 20 0 DGADMP CC(C)([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252942217 1105858374 /nfs/dbraw/zinc/85/83/74/1105858374.db2.gz SHQJLPABMULXTL-NRFANRHFSA-N 2 1 324.468 3.148 20 0 DGADMP CC(C)([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252942217 1105858380 /nfs/dbraw/zinc/85/83/80/1105858380.db2.gz SHQJLPABMULXTL-NRFANRHFSA-N 2 1 324.468 3.148 20 0 DGADMP CCC1([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC001252947299 1105858469 /nfs/dbraw/zinc/85/84/69/1105858469.db2.gz ZNFJWXGLIZRNJD-FQEVSTJZSA-N 2 1 316.489 3.326 20 0 DGADMP CCC1([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC001252947299 1105858472 /nfs/dbraw/zinc/85/84/72/1105858472.db2.gz ZNFJWXGLIZRNJD-FQEVSTJZSA-N 2 1 316.489 3.326 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001253189482 1105900042 /nfs/dbraw/zinc/90/00/42/1105900042.db2.gz IYSNXGRLXKYSOC-HXUWFJFHSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001253192683 1105901421 /nfs/dbraw/zinc/90/14/21/1105901421.db2.gz WWHOQNSSDMLSED-PMACEKPBSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cccc(-c2cccs2)c1 ZINC001253210021 1105903922 /nfs/dbraw/zinc/90/39/22/1105903922.db2.gz LKEHICBHSXYKNK-KRWDZBQOSA-N 2 1 318.486 3.207 20 0 DGADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253411925 1105937023 /nfs/dbraw/zinc/93/70/23/1105937023.db2.gz ZIJBWYLHSGJYCY-QAPCUYQASA-N 2 1 306.494 3.285 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC001253412407 1105937084 /nfs/dbraw/zinc/93/70/84/1105937084.db2.gz HDVMGDJDPIPJRL-BLLLJJGKSA-N 2 1 310.869 3.056 20 0 DGADMP CCC[N@@H+](CC1CC1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254030170 1106011918 /nfs/dbraw/zinc/01/19/18/1106011918.db2.gz XVGUQVICDBERDI-UHFFFAOYSA-N 2 1 316.489 3.136 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC001254506395 1106084746 /nfs/dbraw/zinc/08/47/46/1106084746.db2.gz RJNWEVMBKKWSSZ-HOTGVXAUSA-N 2 1 324.852 3.018 20 0 DGADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC001254506395 1106084751 /nfs/dbraw/zinc/08/47/51/1106084751.db2.gz RJNWEVMBKKWSSZ-HOTGVXAUSA-N 2 1 324.852 3.018 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001254507450 1106085067 /nfs/dbraw/zinc/08/50/67/1106085067.db2.gz LQRWRFQXXHCJOG-MOPGFXCFSA-N 2 1 320.452 3.367 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254506970 1106085753 /nfs/dbraw/zinc/08/57/53/1106085753.db2.gz DSCDBBWNKJPHJK-HNNXBMFYSA-N 2 1 311.267 3.331 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](CCO)c2cccc3ccccc32)CC1 ZINC001254505230 1106085474 /nfs/dbraw/zinc/08/54/74/1106085474.db2.gz CWYVFMFFNUTUHH-YLJYHZDGSA-N 2 1 312.457 3.337 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC001254505480 1106085701 /nfs/dbraw/zinc/08/57/01/1106085701.db2.gz HBDMXIJEWZKQAB-OAHLLOKOSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@H+]1CCC[C@H](Nc2ccc(C[NH3+])cc2C(F)(F)F)CC1 ZINC001254510156 1106086278 /nfs/dbraw/zinc/08/62/78/1106086278.db2.gz SEGPXOPRPMFLIB-LBPRGKRZSA-N 2 1 301.356 3.060 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC001254509091 1106086293 /nfs/dbraw/zinc/08/62/93/1106086293.db2.gz VYGDHCYFEVTAPY-GOSISDBHSA-N 2 1 301.478 3.251 20 0 DGADMP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254509912 1106086507 /nfs/dbraw/zinc/08/65/07/1106086507.db2.gz JYIFNFPNXQVEKG-LJQANCHMSA-N 2 1 300.490 3.353 20 0 DGADMP C[N@H+]1CCC[C@@H](n2c3ccc(F)cc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001254507793 1106087298 /nfs/dbraw/zinc/08/72/98/1106087298.db2.gz DZCCEPMOLUMBFJ-HUUCEWRRSA-N 2 1 315.436 3.253 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001254509272 1106087441 /nfs/dbraw/zinc/08/74/41/1106087441.db2.gz XWBMKYBIOWDTMT-OALUTQOASA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001254512250 1106088678 /nfs/dbraw/zinc/08/86/78/1106088678.db2.gz LRRNXQWYWJGFOI-OAHLLOKOSA-N 2 1 321.896 3.074 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC001254522053 1106090348 /nfs/dbraw/zinc/09/03/48/1106090348.db2.gz BFBKGNDNFIWVBI-GOSISDBHSA-N 2 1 320.452 3.291 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254524673 1106092682 /nfs/dbraw/zinc/09/26/82/1106092682.db2.gz YJHRBRJMBUMPSW-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524673 1106092687 /nfs/dbraw/zinc/09/26/87/1106092687.db2.gz YJHRBRJMBUMPSW-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524673 1106092691 /nfs/dbraw/zinc/09/26/91/1106092691.db2.gz YJHRBRJMBUMPSW-OAHLLOKOSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001254525709 1106092989 /nfs/dbraw/zinc/09/29/89/1106092989.db2.gz LAZJYBLHKHKKJJ-GOSISDBHSA-N 2 1 314.473 3.035 20 0 DGADMP C[N@H+]1CCC[C@H](n2c3ccc(F)cc3c3c2CC[NH2+]C3)CC1 ZINC001254525441 1106093561 /nfs/dbraw/zinc/09/35/61/1106093561.db2.gz IORIPYJEOSYSHV-AWEZNQCLSA-N 2 1 301.409 3.083 20 0 DGADMP COC1(c2ccccc2)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254530392 1106095163 /nfs/dbraw/zinc/09/51/63/1106095163.db2.gz XGBIQMHWGHISHR-GOSISDBHSA-N 2 1 302.462 3.108 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)c1ccccc1 ZINC001254922081 1106155455 /nfs/dbraw/zinc/15/54/55/1106155455.db2.gz KRUTUSNKQMLPHX-FAJBIJEISA-N 2 1 300.446 3.027 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C3CCSCC3)CC1)C2 ZINC001255094383 1106178252 /nfs/dbraw/zinc/17/82/52/1106178252.db2.gz VSOPHTUOFBYCPR-UHFFFAOYSA-N 2 1 316.514 3.405 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C3CCSCC3)CC1)C2 ZINC001255094383 1106178254 /nfs/dbraw/zinc/17/82/54/1106178254.db2.gz VSOPHTUOFBYCPR-UHFFFAOYSA-N 2 1 316.514 3.405 20 0 DGADMP CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255100096 1106178682 /nfs/dbraw/zinc/17/86/82/1106178682.db2.gz RCAFTDHYDHXPJV-SFHVURJKSA-N 2 1 315.505 3.241 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255109075 1106181823 /nfs/dbraw/zinc/18/18/23/1106181823.db2.gz NLGPSLCFKPPVME-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccn2)C3)cc1 ZINC001255123785 1106183634 /nfs/dbraw/zinc/18/36/34/1106183634.db2.gz WPAZJGWJASEYKB-OWZKRDHZSA-N 2 1 307.441 3.367 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccn2)C3)cc1 ZINC001255123785 1106183637 /nfs/dbraw/zinc/18/36/37/1106183637.db2.gz WPAZJGWJASEYKB-OWZKRDHZSA-N 2 1 307.441 3.367 20 0 DGADMP CC(C)(C)[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126083 1106185262 /nfs/dbraw/zinc/18/52/62/1106185262.db2.gz IYIOSCHGMNPFPB-RDGPPVDQSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1ncncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135034 1106186729 /nfs/dbraw/zinc/18/67/29/1106186729.db2.gz FPRRMTGYGFVCPF-OWZKRDHZSA-N 2 1 322.456 3.070 20 0 DGADMP Cc1ncncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135034 1106186733 /nfs/dbraw/zinc/18/67/33/1106186733.db2.gz FPRRMTGYGFVCPF-OWZKRDHZSA-N 2 1 322.456 3.070 20 0 DGADMP C[C@H]1COCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137398 1106187384 /nfs/dbraw/zinc/18/73/84/1106187384.db2.gz QNXVUOYFQYXQBK-LMCOJAPRSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137398 1106187385 /nfs/dbraw/zinc/18/73/85/1106187385.db2.gz QNXVUOYFQYXQBK-LMCOJAPRSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137398 1106187386 /nfs/dbraw/zinc/18/73/86/1106187386.db2.gz QNXVUOYFQYXQBK-LMCOJAPRSA-N 2 1 314.473 3.150 20 0 DGADMP C[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001255150556 1106191002 /nfs/dbraw/zinc/19/10/02/1106191002.db2.gz WGSXBHRVLLLBFT-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001255150556 1106191004 /nfs/dbraw/zinc/19/10/04/1106191004.db2.gz WGSXBHRVLLLBFT-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001255150556 1106191007 /nfs/dbraw/zinc/19/10/07/1106191007.db2.gz WGSXBHRVLLLBFT-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@@H]4CCSC4)C3)CC2)cc1 ZINC001255289649 1106216442 /nfs/dbraw/zinc/21/64/42/1106216442.db2.gz ORNZBWPEKTYERY-GOSISDBHSA-N 2 1 316.514 3.480 20 0 DGADMP CCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001255314118 1106220772 /nfs/dbraw/zinc/22/07/72/1106220772.db2.gz WIRLCTQRGRVMPO-GOSISDBHSA-N 2 1 317.521 3.492 20 0 DGADMP CCCC[C@@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001255326897 1106223680 /nfs/dbraw/zinc/22/36/80/1106223680.db2.gz USZQMCSSVUARAF-QGZVFWFLSA-N 2 1 318.509 3.306 20 0 DGADMP CCCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001255328138 1106224133 /nfs/dbraw/zinc/22/41/33/1106224133.db2.gz GTNSBCXCPHTFDD-YTQUADARSA-N 2 1 308.510 3.388 20 0 DGADMP CCCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001255328138 1106224135 /nfs/dbraw/zinc/22/41/35/1106224135.db2.gz GTNSBCXCPHTFDD-YTQUADARSA-N 2 1 308.510 3.388 20 0 DGADMP CCCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001255328138 1106224138 /nfs/dbraw/zinc/22/41/38/1106224138.db2.gz GTNSBCXCPHTFDD-YTQUADARSA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255347330 1106227986 /nfs/dbraw/zinc/22/79/86/1106227986.db2.gz CKEIACNPJOMIJE-QBPKDAKJSA-N 2 1 310.482 3.089 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255347328 1106228067 /nfs/dbraw/zinc/22/80/67/1106228067.db2.gz CKEIACNPJOMIJE-QAETUUGQSA-N 2 1 310.482 3.089 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001255348914 1106229305 /nfs/dbraw/zinc/22/93/05/1106229305.db2.gz KAYVZYHFCUTLCP-YESZJQIVSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001255348914 1106229313 /nfs/dbraw/zinc/22/93/13/1106229313.db2.gz KAYVZYHFCUTLCP-YESZJQIVSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001255348912 1106229345 /nfs/dbraw/zinc/22/93/45/1106229345.db2.gz KAYVZYHFCUTLCP-GVDBMIGSSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001255348912 1106229350 /nfs/dbraw/zinc/22/93/50/1106229350.db2.gz KAYVZYHFCUTLCP-GVDBMIGSSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382536 1106236487 /nfs/dbraw/zinc/23/64/87/1106236487.db2.gz DDYYGTNSGAROMR-QXAKKESOSA-N 2 1 304.478 3.038 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001255379884 1106236730 /nfs/dbraw/zinc/23/67/30/1106236730.db2.gz XYYJVZNWEATNRN-SJLPKXTDSA-N 2 1 324.509 3.305 20 0 DGADMP CC1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC001255381597 1106237212 /nfs/dbraw/zinc/23/72/12/1106237212.db2.gz QXVXRRHGNIAMPA-GOSISDBHSA-N 2 1 302.462 3.200 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388007 1106239197 /nfs/dbraw/zinc/23/91/97/1106239197.db2.gz XESUSEXYLVVVFE-RBUKOAKNSA-N 2 1 304.478 3.182 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255390574 1106239756 /nfs/dbraw/zinc/23/97/56/1106239756.db2.gz IZEHXBSTQGIGMK-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390574 1106239757 /nfs/dbraw/zinc/23/97/57/1106239757.db2.gz IZEHXBSTQGIGMK-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390574 1106239760 /nfs/dbraw/zinc/23/97/60/1106239760.db2.gz IZEHXBSTQGIGMK-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255390574 1106239762 /nfs/dbraw/zinc/23/97/62/1106239762.db2.gz IZEHXBSTQGIGMK-WOJBJXKFSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255390574 1106239765 /nfs/dbraw/zinc/23/97/65/1106239765.db2.gz IZEHXBSTQGIGMK-WOJBJXKFSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390574 1106239767 /nfs/dbraw/zinc/23/97/67/1106239767.db2.gz IZEHXBSTQGIGMK-WOJBJXKFSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390574 1106239769 /nfs/dbraw/zinc/23/97/69/1106239769.db2.gz IZEHXBSTQGIGMK-WOJBJXKFSA-N 3 1 315.505 3.115 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3C[C@@]34CCCOC4)CC2)cc1 ZINC001255399026 1106242452 /nfs/dbraw/zinc/24/24/52/1106242452.db2.gz YKKWEMPXGHLCND-XUVXKRRUSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCC4(COC4)CC3)CC2)cc1 ZINC001255399237 1106242916 /nfs/dbraw/zinc/24/29/16/1106242916.db2.gz PJIQNVOFFMELMF-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCC4(COC4)CC3)CC2)cc1 ZINC001255399237 1106242920 /nfs/dbraw/zinc/24/29/20/1106242920.db2.gz PJIQNVOFFMELMF-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP COCC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399586 1106244788 /nfs/dbraw/zinc/24/47/88/1106244788.db2.gz VNRFOGMKPBPRFP-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408264 1106246533 /nfs/dbraw/zinc/24/65/33/1106246533.db2.gz JGAIPFHXINHNAO-VQTJNVASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408264 1106246535 /nfs/dbraw/zinc/24/65/35/1106246535.db2.gz JGAIPFHXINHNAO-VQTJNVASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408264 1106246536 /nfs/dbraw/zinc/24/65/36/1106246536.db2.gz JGAIPFHXINHNAO-VQTJNVASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001255408264 1106246539 /nfs/dbraw/zinc/24/65/39/1106246539.db2.gz JGAIPFHXINHNAO-VQTJNVASSA-N 2 1 314.473 3.152 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408442 1106246665 /nfs/dbraw/zinc/24/66/65/1106246665.db2.gz MLDHFJYSUGDVCO-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408442 1106246668 /nfs/dbraw/zinc/24/66/68/1106246668.db2.gz MLDHFJYSUGDVCO-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408442 1106246672 /nfs/dbraw/zinc/24/66/72/1106246672.db2.gz MLDHFJYSUGDVCO-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255407892 1106246683 /nfs/dbraw/zinc/24/66/83/1106246683.db2.gz FMLUJCFVMWSARB-AABGKKOBSA-N 2 1 314.473 3.294 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255407892 1106246685 /nfs/dbraw/zinc/24/66/85/1106246685.db2.gz FMLUJCFVMWSARB-AABGKKOBSA-N 2 1 314.473 3.294 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255407892 1106246688 /nfs/dbraw/zinc/24/66/88/1106246688.db2.gz FMLUJCFVMWSARB-AABGKKOBSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409924 1106247847 /nfs/dbraw/zinc/24/78/47/1106247847.db2.gz NHKPDZGQIVNEGY-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409924 1106247850 /nfs/dbraw/zinc/24/78/50/1106247850.db2.gz NHKPDZGQIVNEGY-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409924 1106247853 /nfs/dbraw/zinc/24/78/53/1106247853.db2.gz NHKPDZGQIVNEGY-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001255409924 1106247855 /nfs/dbraw/zinc/24/78/55/1106247855.db2.gz NHKPDZGQIVNEGY-SCTDSRPQSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@H+]1CCN([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409398 1106248065 /nfs/dbraw/zinc/24/80/65/1106248065.db2.gz XCZQUJSXEKXBGU-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409398 1106248069 /nfs/dbraw/zinc/24/80/69/1106248069.db2.gz XCZQUJSXEKXBGU-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409398 1106248072 /nfs/dbraw/zinc/24/80/72/1106248072.db2.gz XCZQUJSXEKXBGU-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001255476306 1106256753 /nfs/dbraw/zinc/25/67/53/1106256753.db2.gz DHVLVWZETDEBJD-JTQLQIEISA-N 2 1 319.758 3.368 20 0 DGADMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001255476306 1106256756 /nfs/dbraw/zinc/25/67/56/1106256756.db2.gz DHVLVWZETDEBJD-JTQLQIEISA-N 2 1 319.758 3.368 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001255548265 1106268004 /nfs/dbraw/zinc/26/80/04/1106268004.db2.gz CEKWCGXLCWGPQK-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001255548265 1106268005 /nfs/dbraw/zinc/26/80/05/1106268005.db2.gz CEKWCGXLCWGPQK-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001255548265 1106268007 /nfs/dbraw/zinc/26/80/07/1106268007.db2.gz CEKWCGXLCWGPQK-CEXWTWQISA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCC2(CC1)OCCO2 ZINC001255628682 1106279880 /nfs/dbraw/zinc/27/98/80/1106279880.db2.gz XFGLIMSKEGIULQ-ROUUACIJSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC2(CC1)OCCO2 ZINC001255628682 1106279884 /nfs/dbraw/zinc/27/98/84/1106279884.db2.gz XFGLIMSKEGIULQ-ROUUACIJSA-N 2 1 322.493 3.011 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC2(CC1)OCCO2 ZINC001255628682 1106279891 /nfs/dbraw/zinc/27/98/91/1106279891.db2.gz XFGLIMSKEGIULQ-ROUUACIJSA-N 2 1 322.493 3.011 20 0 DGADMP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)CC(F)(F)F)CC2)c1 ZINC001255644021 1106282974 /nfs/dbraw/zinc/28/29/74/1106282974.db2.gz JQHHWBHTORFWTO-LBPRGKRZSA-N 2 1 316.367 3.286 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255644028 1106283274 /nfs/dbraw/zinc/28/32/74/1106283274.db2.gz JSGNBMGWBPABHZ-QEJZJMRPSA-N 2 1 315.383 3.494 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255644984 1106283666 /nfs/dbraw/zinc/28/36/66/1106283666.db2.gz XYUHFDMXXFNGJF-YDHLFZDLSA-N 2 1 315.383 3.494 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255675127 1106291875 /nfs/dbraw/zinc/29/18/75/1106291875.db2.gz ZKOZODIQLAQWCZ-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255675127 1106291879 /nfs/dbraw/zinc/29/18/79/1106291879.db2.gz ZKOZODIQLAQWCZ-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255675127 1106291881 /nfs/dbraw/zinc/29/18/81/1106291881.db2.gz ZKOZODIQLAQWCZ-JWTNVVGKSA-N 2 1 300.446 3.069 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255672080 1106292084 /nfs/dbraw/zinc/29/20/84/1106292084.db2.gz YSFXLQMLQCWYCJ-YQQQUEKLSA-N 3 1 307.526 3.103 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255672080 1106292088 /nfs/dbraw/zinc/29/20/88/1106292088.db2.gz YSFXLQMLQCWYCJ-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001255682280 1106293378 /nfs/dbraw/zinc/29/33/78/1106293378.db2.gz FHYKQVJNMFKDFC-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001255682280 1106293380 /nfs/dbraw/zinc/29/33/80/1106293380.db2.gz FHYKQVJNMFKDFC-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001255682280 1106293383 /nfs/dbraw/zinc/29/33/83/1106293383.db2.gz FHYKQVJNMFKDFC-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001255682280 1106293387 /nfs/dbraw/zinc/29/33/87/1106293387.db2.gz FHYKQVJNMFKDFC-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP C[C@H]1CN(C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1C1CCCCC1 ZINC001255685367 1106294827 /nfs/dbraw/zinc/29/48/27/1106294827.db2.gz ODFKTWFCZTWQRT-DAABDDCCSA-N 2 1 319.537 3.341 20 0 DGADMP C[C@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C1CCCCC1 ZINC001255685367 1106294830 /nfs/dbraw/zinc/29/48/30/1106294830.db2.gz ODFKTWFCZTWQRT-DAABDDCCSA-N 2 1 319.537 3.341 20 0 DGADMP C[C@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C1CCCCC1 ZINC001255685367 1106294834 /nfs/dbraw/zinc/29/48/34/1106294834.db2.gz ODFKTWFCZTWQRT-DAABDDCCSA-N 2 1 319.537 3.341 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001255748172 1106308504 /nfs/dbraw/zinc/30/85/04/1106308504.db2.gz NWFMFJLLIRTKMK-JJRVBVJISA-N 2 1 308.466 3.190 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001255748172 1106308510 /nfs/dbraw/zinc/30/85/10/1106308510.db2.gz NWFMFJLLIRTKMK-JJRVBVJISA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(-c2ncccn2)cc1 ZINC001255950601 1106347955 /nfs/dbraw/zinc/34/79/55/1106347955.db2.gz BFENATSAMQUTBH-MRXNPFEDSA-N 2 1 312.461 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(Cl)c(O)c(OC)c1 ZINC001255950714 1106348107 /nfs/dbraw/zinc/34/81/07/1106348107.db2.gz KDTDSAALCFNVBO-LBPRGKRZSA-N 2 1 314.857 3.264 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001255962913 1106350573 /nfs/dbraw/zinc/35/05/73/1106350573.db2.gz CGJMNTGMFBNMDJ-MOPGFXCFSA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001255972611 1106352957 /nfs/dbraw/zinc/35/29/57/1106352957.db2.gz VAHADCUZEBNFPP-QGZVFWFLSA-N 3 1 318.509 3.069 20 0 DGADMP OCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC001256069184 1106363846 /nfs/dbraw/zinc/36/38/46/1106363846.db2.gz UNDNFPCSBHZHMF-NRFANRHFSA-N 2 1 324.468 3.480 20 0 DGADMP Clc1cncc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256071546 1106363961 /nfs/dbraw/zinc/36/39/61/1106363961.db2.gz CZBRDESWAJSMNF-QGZVFWFLSA-N 2 1 305.853 3.403 20 0 DGADMP COCCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCC(F)(F)CC1 ZINC001256071592 1106364213 /nfs/dbraw/zinc/36/42/13/1106364213.db2.gz GCTNKJXMVAVKAI-UHFFFAOYSA-N 2 1 316.436 3.187 20 0 DGADMP c1nc2ccccc2n1C1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256081757 1106367300 /nfs/dbraw/zinc/36/73/00/1106367300.db2.gz DQLKCTAOXIRXSV-UHFFFAOYSA-N 2 1 324.472 3.300 20 0 DGADMP c1ccc2c(c1)OCC21CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256082424 1106367346 /nfs/dbraw/zinc/36/73/46/1106367346.db2.gz ZYZMRNVBESRYTB-UHFFFAOYSA-N 2 1 312.457 3.039 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(OC)c2)C1 ZINC001256153287 1106379771 /nfs/dbraw/zinc/37/97/71/1106379771.db2.gz WDAXEKBAQHIKNM-WBVHZDCISA-N 2 1 304.478 3.479 20 0 DGADMP C[NH+]1CCC([NH2+]CCOc2ccc(-c3ccccc3)cc2)CC1 ZINC001256196870 1106388799 /nfs/dbraw/zinc/38/87/99/1106388799.db2.gz ZVDUZVYTIPXTPP-UHFFFAOYSA-N 2 1 310.441 3.416 20 0 DGADMP C[NH+]1CCC([N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001256207438 1106391306 /nfs/dbraw/zinc/39/13/06/1106391306.db2.gz JWEZMCNRNPEHFP-SFHVURJKSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCC([N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001256207438 1106391311 /nfs/dbraw/zinc/39/13/11/1106391311.db2.gz JWEZMCNRNPEHFP-SFHVURJKSA-N 2 1 322.880 3.415 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307156 1106403108 /nfs/dbraw/zinc/40/31/08/1106403108.db2.gz KABAFGKFJDAQDO-KBXCAEBGSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307156 1106403109 /nfs/dbraw/zinc/40/31/09/1106403109.db2.gz KABAFGKFJDAQDO-KBXCAEBGSA-N 2 1 321.896 3.239 20 0 DGADMP CC(C)CC[C@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001256364111 1106410435 /nfs/dbraw/zinc/41/04/35/1106410435.db2.gz GUALNYAPOKKSDH-KRWDZBQOSA-N 2 1 318.509 3.162 20 0 DGADMP CCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525998 1106433994 /nfs/dbraw/zinc/43/39/94/1106433994.db2.gz HKYGBKNLZMJWRO-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP CCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525998 1106433997 /nfs/dbraw/zinc/43/39/97/1106433997.db2.gz HKYGBKNLZMJWRO-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529279 1106434478 /nfs/dbraw/zinc/43/44/78/1106434478.db2.gz RPXYQNJNCCOMAC-YTQUADARSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529279 1106434480 /nfs/dbraw/zinc/43/44/80/1106434480.db2.gz RPXYQNJNCCOMAC-YTQUADARSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525379 1106434593 /nfs/dbraw/zinc/43/45/93/1106434593.db2.gz YNTOPVRWWKNRBP-NBMJBFSESA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525379 1106434596 /nfs/dbraw/zinc/43/45/96/1106434596.db2.gz YNTOPVRWWKNRBP-NBMJBFSESA-N 2 1 302.462 3.054 20 0 DGADMP COCC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536253 1106437025 /nfs/dbraw/zinc/43/70/25/1106437025.db2.gz GBZBBCQVKXODQE-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP COCC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536253 1106437026 /nfs/dbraw/zinc/43/70/26/1106437026.db2.gz GBZBBCQVKXODQE-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538614 1106437541 /nfs/dbraw/zinc/43/75/41/1106437541.db2.gz UNMKXKRDFMQNPO-XLIONFOSSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539568 1106438445 /nfs/dbraw/zinc/43/84/45/1106438445.db2.gz VTCGNOIMBFUTHR-RNQOJCNYSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539568 1106438447 /nfs/dbraw/zinc/43/84/47/1106438447.db2.gz VTCGNOIMBFUTHR-RNQOJCNYSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@](C)(O)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542837 1106439873 /nfs/dbraw/zinc/43/98/73/1106439873.db2.gz QONOHBMDCSDTLH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@](C)(O)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542837 1106439876 /nfs/dbraw/zinc/43/98/76/1106439876.db2.gz QONOHBMDCSDTLH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542837 1106439879 /nfs/dbraw/zinc/43/98/79/1106439879.db2.gz QONOHBMDCSDTLH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542837 1106439881 /nfs/dbraw/zinc/43/98/81/1106439881.db2.gz QONOHBMDCSDTLH-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552936 1106442378 /nfs/dbraw/zinc/44/23/78/1106442378.db2.gz FRAJPUAGNKAIDQ-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552936 1106442380 /nfs/dbraw/zinc/44/23/80/1106442380.db2.gz FRAJPUAGNKAIDQ-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552936 1106442382 /nfs/dbraw/zinc/44/23/82/1106442382.db2.gz FRAJPUAGNKAIDQ-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552936 1106442383 /nfs/dbraw/zinc/44/23/83/1106442383.db2.gz FRAJPUAGNKAIDQ-RLLQIKCJSA-N 2 1 314.473 3.294 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553678 1106442868 /nfs/dbraw/zinc/44/28/68/1106442868.db2.gz IZZHUMBIWBEDNR-GTAWCEEGSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553678 1106442871 /nfs/dbraw/zinc/44/28/71/1106442871.db2.gz IZZHUMBIWBEDNR-GTAWCEEGSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553678 1106442873 /nfs/dbraw/zinc/44/28/73/1106442873.db2.gz IZZHUMBIWBEDNR-GTAWCEEGSA-N 2 1 314.473 3.293 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256553678 1106442877 /nfs/dbraw/zinc/44/28/77/1106442877.db2.gz IZZHUMBIWBEDNR-GTAWCEEGSA-N 2 1 314.473 3.293 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256563535 1106445701 /nfs/dbraw/zinc/44/57/01/1106445701.db2.gz AOAVMBBSGWKBRA-AWEZNQCLSA-N 2 1 318.461 3.387 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC001256573628 1106448608 /nfs/dbraw/zinc/44/86/08/1106448608.db2.gz LMJIDULKVYZHMB-GOSISDBHSA-N 2 1 301.478 3.351 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001256604252 1106452418 /nfs/dbraw/zinc/45/24/18/1106452418.db2.gz NSESVCWCLSGRCN-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627698 1106456610 /nfs/dbraw/zinc/45/66/10/1106456610.db2.gz JAESLTXEYCWDEI-IXEWLPCDSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627698 1106456611 /nfs/dbraw/zinc/45/66/11/1106456611.db2.gz JAESLTXEYCWDEI-IXEWLPCDSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)C2 ZINC001256636810 1106459292 /nfs/dbraw/zinc/45/92/92/1106459292.db2.gz OHKBPLJNYGRXSB-NJAFHUGGSA-N 2 1 302.462 3.015 20 0 DGADMP Clc1cccc2c1C[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256696206 1106470813 /nfs/dbraw/zinc/47/08/13/1106470813.db2.gz YHRIORUWZOFCQX-UHFFFAOYSA-N 2 1 320.864 3.299 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256719231 1106472045 /nfs/dbraw/zinc/47/20/45/1106472045.db2.gz OJTVBMHFVXKAPN-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256816142 1106488902 /nfs/dbraw/zinc/48/89/02/1106488902.db2.gz GXNSJITVACETMT-MOPGFXCFSA-N 2 1 302.462 3.324 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC1(F)F ZINC001256855124 1106497898 /nfs/dbraw/zinc/49/78/98/1106497898.db2.gz DZHDZGIVMKSIRH-AWEZNQCLSA-N 2 1 309.404 3.418 20 0 DGADMP c1ccc(C[C@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC001256860819 1106498583 /nfs/dbraw/zinc/49/85/83/1106498583.db2.gz JSRSFXBRHZIAES-HXUWFJFHSA-N 2 1 322.456 3.153 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256897226 1106505210 /nfs/dbraw/zinc/50/52/10/1106505210.db2.gz HJUZCPWWGBWDQD-QRVBRYPASA-N 2 1 321.553 3.351 20 0 DGADMP C([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCC2(COC2)CC1 ZINC001256901436 1106505855 /nfs/dbraw/zinc/50/58/55/1106505855.db2.gz WJCHWHDBOYGOQP-KRWDZBQOSA-N 2 1 306.494 3.190 20 0 DGADMP C([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CCC2(COC2)CC1 ZINC001256901436 1106505859 /nfs/dbraw/zinc/50/58/59/1106505859.db2.gz WJCHWHDBOYGOQP-KRWDZBQOSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901683 1106506288 /nfs/dbraw/zinc/50/62/88/1106506288.db2.gz IPGJSCZFHIJSEG-DOTOQJQBSA-N 2 1 302.462 3.492 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(O)cc1 ZINC001256901683 1106506289 /nfs/dbraw/zinc/50/62/89/1106506289.db2.gz IPGJSCZFHIJSEG-DOTOQJQBSA-N 2 1 302.462 3.492 20 0 DGADMP C(C1CC1)C1([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCOCC1 ZINC001256904300 1106507346 /nfs/dbraw/zinc/50/73/46/1106507346.db2.gz GCDUKIPPCWAUMR-KRWDZBQOSA-N 2 1 306.494 3.332 20 0 DGADMP C(C1CC1)C1([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCOCC1 ZINC001256904300 1106507349 /nfs/dbraw/zinc/50/73/49/1106507349.db2.gz GCDUKIPPCWAUMR-KRWDZBQOSA-N 2 1 306.494 3.332 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256908640 1106508930 /nfs/dbraw/zinc/50/89/30/1106508930.db2.gz PUVUSUURIZMARK-OALUTQOASA-N 2 1 319.537 3.248 20 0 DGADMP C(C1CCCC1)[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908640 1106508935 /nfs/dbraw/zinc/50/89/35/1106508935.db2.gz PUVUSUURIZMARK-OALUTQOASA-N 2 1 319.537 3.248 20 0 DGADMP C(C1CCCC1)[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908640 1106508939 /nfs/dbraw/zinc/50/89/39/1106508939.db2.gz PUVUSUURIZMARK-OALUTQOASA-N 2 1 319.537 3.248 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256908798 1106509014 /nfs/dbraw/zinc/50/90/14/1106509014.db2.gz QKKKIVIVENNJBO-IRXDYDNUSA-N 2 1 307.526 3.246 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908798 1106509017 /nfs/dbraw/zinc/50/90/17/1106509017.db2.gz QKKKIVIVENNJBO-IRXDYDNUSA-N 2 1 307.526 3.246 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908798 1106509020 /nfs/dbraw/zinc/50/90/20/1106509020.db2.gz QKKKIVIVENNJBO-IRXDYDNUSA-N 2 1 307.526 3.246 20 0 DGADMP Fc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256910046 1106509499 /nfs/dbraw/zinc/50/94/99/1106509499.db2.gz WSVDNUSBEPNJLG-MSOLQXFVSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256910046 1106509502 /nfs/dbraw/zinc/50/95/02/1106509502.db2.gz WSVDNUSBEPNJLG-MSOLQXFVSA-N 2 1 302.437 3.290 20 0 DGADMP CC(C)N(C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256925199 1106513000 /nfs/dbraw/zinc/51/30/00/1106513000.db2.gz RIGIBSWDLSAHKL-LJQANCHMSA-N 2 1 307.526 3.198 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001257065593 1106532396 /nfs/dbraw/zinc/53/23/96/1106532396.db2.gz QARONXDPUZBPKY-OWSLCNJRSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001257065593 1106532400 /nfs/dbraw/zinc/53/24/00/1106532400.db2.gz QARONXDPUZBPKY-OWSLCNJRSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001257065593 1106532403 /nfs/dbraw/zinc/53/24/03/1106532403.db2.gz QARONXDPUZBPKY-OWSLCNJRSA-N 2 1 322.493 3.057 20 0 DGADMP C[C@@H]1CC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@@H](C)O1 ZINC001257091970 1106537251 /nfs/dbraw/zinc/53/72/51/1106537251.db2.gz LVVGLVZMQPQVNX-WCVJEAGWSA-N 2 1 320.502 3.068 20 0 DGADMP CC(C)N1CCC([NH2+]CC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001257211170 1106551540 /nfs/dbraw/zinc/55/15/40/1106551540.db2.gz DQEXAZSUAIZDFH-UHFFFAOYSA-N 2 1 321.553 3.351 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC001257213304 1106552713 /nfs/dbraw/zinc/55/27/13/1106552713.db2.gz KQBWSUVSCQDYFC-UHFFFAOYSA-N 2 1 320.477 3.051 20 0 DGADMP COc1ccc2c(c1)C[N@H+](C1CC[NH+](C(C)C)CC1)CCC2 ZINC001257223996 1106554137 /nfs/dbraw/zinc/55/41/37/1106554137.db2.gz LSNUDYWGLFVQIZ-UHFFFAOYSA-N 2 1 302.462 3.316 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](C(C)C)CC1)CCC2 ZINC001257223996 1106554140 /nfs/dbraw/zinc/55/41/40/1106554140.db2.gz LSNUDYWGLFVQIZ-UHFFFAOYSA-N 2 1 302.462 3.316 20 0 DGADMP CC(C)c1noc([C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221935 1106554578 /nfs/dbraw/zinc/55/45/78/1106554578.db2.gz LZSSHFPXJAQMKS-HNNXBMFYSA-N 2 1 320.481 3.245 20 0 DGADMP CC(C)c1noc([C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001257221935 1106554580 /nfs/dbraw/zinc/55/45/80/1106554580.db2.gz LZSSHFPXJAQMKS-HNNXBMFYSA-N 2 1 320.481 3.245 20 0 DGADMP CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257250608 1106555850 /nfs/dbraw/zinc/55/58/50/1106555850.db2.gz RVMKSNOYSUUYAC-QRVBRYPASA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257250608 1106555852 /nfs/dbraw/zinc/55/58/52/1106555852.db2.gz RVMKSNOYSUUYAC-QRVBRYPASA-N 2 1 304.478 3.038 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001257296166 1106562163 /nfs/dbraw/zinc/56/21/63/1106562163.db2.gz HTZHSFBHSWOMQH-NEWSRXKRSA-N 2 1 318.509 3.245 20 0 DGADMP CCC(CC)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001257296166 1106562166 /nfs/dbraw/zinc/56/21/66/1106562166.db2.gz HTZHSFBHSWOMQH-NEWSRXKRSA-N 2 1 318.509 3.245 20 0 DGADMP CCC(CC)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001257296166 1106562169 /nfs/dbraw/zinc/56/21/69/1106562169.db2.gz HTZHSFBHSWOMQH-NEWSRXKRSA-N 2 1 318.509 3.245 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001257391362 1106580427 /nfs/dbraw/zinc/58/04/27/1106580427.db2.gz MUMOAXNHFKPVOC-IXDOHACOSA-N 2 1 312.498 3.207 20 0 DGADMP C(C1CC1)[NH+]1CCN([C@@H]2CC[C@@H]([NH2+]C3CCCCC3)CC2)CC1 ZINC001257451370 1106592262 /nfs/dbraw/zinc/59/22/62/1106592262.db2.gz JLMFQJZWNIAWFT-MXVIHJGJSA-N 2 1 319.537 3.248 20 0 DGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C2CCCCC2)CC3)cn1 ZINC001257457604 1106593901 /nfs/dbraw/zinc/59/39/01/1106593901.db2.gz IPNUJDFZPDAUGJ-UHFFFAOYSA-N 2 1 316.493 3.183 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257676414 1106619680 /nfs/dbraw/zinc/61/96/80/1106619680.db2.gz BQZSLYXQIAJUCS-SFHVURJKSA-N 2 1 304.503 3.478 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC001257954625 1106650379 /nfs/dbraw/zinc/65/03/79/1106650379.db2.gz PCRGLEVQNZFUQI-MRXNPFEDSA-N 2 1 320.864 3.250 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)nc1 ZINC001258007365 1106656697 /nfs/dbraw/zinc/65/66/97/1106656697.db2.gz CZYFHWFJBDZTDS-IBGZPJMESA-N 2 1 317.477 3.251 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001258014716 1106658197 /nfs/dbraw/zinc/65/81/97/1106658197.db2.gz RLGYNQGFPDBPPM-MRXNPFEDSA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001258014716 1106658199 /nfs/dbraw/zinc/65/81/99/1106658199.db2.gz RLGYNQGFPDBPPM-MRXNPFEDSA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)C[NH+]1CCC(N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)CC1 ZINC001258020488 1106660112 /nfs/dbraw/zinc/66/01/12/1106660112.db2.gz WHSLOUFOYSCRJC-SFHVURJKSA-N 2 1 321.553 3.446 20 0 DGADMP CC(C)C[C@H](C)C[C@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258074632 1106667829 /nfs/dbraw/zinc/66/78/29/1106667829.db2.gz LISVWECCDKVMHJ-OALUTQOASA-N 2 1 323.569 3.407 20 0 DGADMP CC(C)=CCC[C@@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258097128 1106672326 /nfs/dbraw/zinc/67/23/26/1106672326.db2.gz ZUIOHCNVYQUAGR-GOSISDBHSA-N 2 1 307.526 3.081 20 0 DGADMP C[NH+](C)CCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258131199 1106679039 /nfs/dbraw/zinc/67/90/39/1106679039.db2.gz GGZMHKYHPLZORF-UHFFFAOYSA-N 3 1 317.521 3.015 20 0 DGADMP C[C@H]1C[C@@H](CF)[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140917 1106680196 /nfs/dbraw/zinc/68/01/96/1106680196.db2.gz ODAJHXDOPJTWLT-LPHOPBHVSA-N 2 1 304.453 3.373 20 0 DGADMP C[C@H]1C[C@@H](CF)[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140917 1106680198 /nfs/dbraw/zinc/68/01/98/1106680198.db2.gz ODAJHXDOPJTWLT-LPHOPBHVSA-N 2 1 304.453 3.373 20 0 DGADMP CC1(C)C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC001258146260 1106681041 /nfs/dbraw/zinc/68/10/41/1106681041.db2.gz VCIJJAMLVNBQNY-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP CC1(C)C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC001258146260 1106681044 /nfs/dbraw/zinc/68/10/44/1106681044.db2.gz VCIJJAMLVNBQNY-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP COC(=O)CC[C@H](C)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258359384 1106722792 /nfs/dbraw/zinc/72/27/92/1106722792.db2.gz YWTPMQITZUQFRA-ZOBUZTSGSA-N 2 1 310.482 3.233 20 0 DGADMP COc1ccc(CC[C@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001258409809 1106734217 /nfs/dbraw/zinc/73/42/17/1106734217.db2.gz IGLCICXDFUUPPE-INIZCTEOSA-N 2 1 302.462 3.186 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CC3CC3)cc2)CC1 ZINC001258449933 1106751711 /nfs/dbraw/zinc/75/17/11/1106751711.db2.gz ACTHTWIJWYPAFI-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258496629 1106780232 /nfs/dbraw/zinc/78/02/32/1106780232.db2.gz UHOHGBZMRJMXHP-IAGOWNOFSA-N 2 1 310.482 3.059 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258499989 1106781728 /nfs/dbraw/zinc/78/17/28/1106781728.db2.gz VTABPFGIKQYNNB-YESZJQIVSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258499989 1106781741 /nfs/dbraw/zinc/78/17/41/1106781741.db2.gz VTABPFGIKQYNNB-YESZJQIVSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258499989 1106781755 /nfs/dbraw/zinc/78/17/55/1106781755.db2.gz VTABPFGIKQYNNB-YESZJQIVSA-N 2 1 310.482 3.057 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316947716 1106807109 /nfs/dbraw/zinc/80/71/09/1106807109.db2.gz ONYIHMYSAZPVOT-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001258706934 1106920097 /nfs/dbraw/zinc/92/00/97/1106920097.db2.gz YLGFMEVCUVCOKB-ROUUACIJSA-N 2 1 320.477 3.048 20 0 DGADMP CCCN1CCC([NH2+]CC2CC[NH+](C(CC)CC)CC2)CC1 ZINC001258769892 1106965523 /nfs/dbraw/zinc/96/55/23/1106965523.db2.gz OKOJCHWNWPGKGC-UHFFFAOYSA-N 2 1 309.542 3.351 20 0 DGADMP CCC[NH+]1CCC([NH+]2CCC(Oc3cc(C)ccn3)CC2)CC1 ZINC001258776631 1106969764 /nfs/dbraw/zinc/96/97/64/1106969764.db2.gz DSHHSRGQFCJJMT-UHFFFAOYSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)CC1 ZINC001258775951 1106969902 /nfs/dbraw/zinc/96/99/02/1106969902.db2.gz LYHIWZVNVNWFRI-HNNXBMFYSA-N 2 1 320.481 3.247 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)CC1 ZINC001258775951 1106969917 /nfs/dbraw/zinc/96/99/17/1106969917.db2.gz LYHIWZVNVNWFRI-HNNXBMFYSA-N 2 1 320.481 3.247 20 0 DGADMP CCC[NH+]1CCC([N@@H+](CC)Cc2ccc3c(c2)OCO3)CC1 ZINC001258778048 1106971926 /nfs/dbraw/zinc/97/19/26/1106971926.db2.gz SUQDFOZXWLNCQA-UHFFFAOYSA-N 2 1 304.434 3.112 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813672 1106996050 /nfs/dbraw/zinc/99/60/50/1106996050.db2.gz LJEQTWDYVVDBJO-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813672 1106996056 /nfs/dbraw/zinc/99/60/56/1106996056.db2.gz LJEQTWDYVVDBJO-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP COC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CCCCCC1 ZINC001474748846 1106996724 /nfs/dbraw/zinc/99/67/24/1106996724.db2.gz SVAPLZJPXZZMHL-OKZBNKHCSA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258898605 1107046206 /nfs/dbraw/zinc/04/62/06/1107046206.db2.gz MVYMJEGNWGRSAU-HOTGVXAUSA-N 2 1 300.487 3.064 20 0 DGADMP CCOC(=O)[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)[C@@H](C)CC ZINC001258900638 1107047898 /nfs/dbraw/zinc/04/78/98/1107047898.db2.gz PZRHBEAHAYNRFJ-XHSDSOJGSA-N 2 1 300.487 3.064 20 0 DGADMP CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258902541 1107050217 /nfs/dbraw/zinc/05/02/17/1107050217.db2.gz WDHBAFGSKSCNQD-GJZGRUSLSA-N 2 1 318.477 3.156 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cc(CO)ccc2C1 ZINC001258907352 1107054119 /nfs/dbraw/zinc/05/41/19/1107054119.db2.gz JIJIFKDLAWHULE-INIZCTEOSA-N 2 1 304.478 3.048 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]([C@H](N)C(F)(F)F)C1 ZINC001258907235 1107054419 /nfs/dbraw/zinc/05/44/19/1107054419.db2.gz OUQMMLUQYNIXBD-KKUMJFAQSA-N 2 1 323.447 3.099 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001258907676 1107055947 /nfs/dbraw/zinc/05/59/47/1107055947.db2.gz MJCHXVAUECBKQW-AZUAARDMSA-N 2 1 317.521 3.486 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001258907679 1107056014 /nfs/dbraw/zinc/05/60/14/1107056014.db2.gz MJCHXVAUECBKQW-UYAOXDASSA-N 2 1 317.521 3.486 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC001320601812 1107068812 /nfs/dbraw/zinc/06/88/12/1107068812.db2.gz FVQJHJMJESDRTE-XYPHTWIQSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC001320601812 1107068827 /nfs/dbraw/zinc/06/88/27/1107068827.db2.gz FVQJHJMJESDRTE-XYPHTWIQSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC001320601812 1107068841 /nfs/dbraw/zinc/06/88/41/1107068841.db2.gz FVQJHJMJESDRTE-XYPHTWIQSA-N 2 1 310.869 3.036 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001320759640 1107127917 /nfs/dbraw/zinc/12/79/17/1107127917.db2.gz PRHDWJJRCUEVGA-HZPDHXFCSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001320759640 1107127924 /nfs/dbraw/zinc/12/79/24/1107127924.db2.gz PRHDWJJRCUEVGA-HZPDHXFCSA-N 2 1 324.896 3.362 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001317693280 1107607754 /nfs/dbraw/zinc/60/77/54/1107607754.db2.gz IYUBMEPIEQEKEC-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001317693280 1107607759 /nfs/dbraw/zinc/60/77/59/1107607759.db2.gz IYUBMEPIEQEKEC-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001317693280 1107607763 /nfs/dbraw/zinc/60/77/63/1107607763.db2.gz IYUBMEPIEQEKEC-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3Br)C[C@H]2C1 ZINC001262376992 1107704591 /nfs/dbraw/zinc/70/45/91/1107704591.db2.gz ISTLPSHMQZWCIS-JHJVBQTASA-N 2 1 324.266 3.011 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4cnccc4c3)C[C@@H]2C1 ZINC001262378497 1107706794 /nfs/dbraw/zinc/70/67/94/1107706794.db2.gz DIXYVRSEHFTKNT-HSALFYBXSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@@H]2C1 ZINC001262378947 1107707381 /nfs/dbraw/zinc/70/73/81/1107707381.db2.gz PABCUODGVGEWEM-HZSPNIEDSA-N 2 1 312.379 3.266 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)CC1CCCC1 ZINC001262558142 1107724255 /nfs/dbraw/zinc/72/42/55/1107724255.db2.gz WLLWIDXBPPPHQH-GOSISDBHSA-N 2 1 313.445 3.212 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC001322861155 1107769313 /nfs/dbraw/zinc/76/93/13/1107769313.db2.gz GTCGNJGJQUMQRK-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC001322861155 1107769327 /nfs/dbraw/zinc/76/93/27/1107769327.db2.gz GTCGNJGJQUMQRK-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC001322861155 1107769339 /nfs/dbraw/zinc/76/93/39/1107769339.db2.gz GTCGNJGJQUMQRK-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC001322861152 1107770605 /nfs/dbraw/zinc/77/06/05/1107770605.db2.gz GTCGNJGJQUMQRK-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC001322861152 1107770620 /nfs/dbraw/zinc/77/06/20/1107770620.db2.gz GTCGNJGJQUMQRK-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC001322861152 1107770632 /nfs/dbraw/zinc/77/06/32/1107770632.db2.gz GTCGNJGJQUMQRK-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631499 1108033727 /nfs/dbraw/zinc/03/37/27/1108033727.db2.gz RMARULNIZYMVAK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631499 1108033742 /nfs/dbraw/zinc/03/37/42/1108033742.db2.gz RMARULNIZYMVAK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631499 1108033756 /nfs/dbraw/zinc/03/37/56/1108033756.db2.gz RMARULNIZYMVAK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379625636 1108035478 /nfs/dbraw/zinc/03/54/78/1108035478.db2.gz KZVYODPKYHBPOF-SXLOBPIMSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379625636 1108035493 /nfs/dbraw/zinc/03/54/93/1108035493.db2.gz KZVYODPKYHBPOF-SXLOBPIMSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379625636 1108035503 /nfs/dbraw/zinc/03/55/03/1108035503.db2.gz KZVYODPKYHBPOF-SXLOBPIMSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815475 1108473474 /nfs/dbraw/zinc/47/34/74/1108473474.db2.gz PJQFYRGPGDAVRW-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815475 1108473484 /nfs/dbraw/zinc/47/34/84/1108473484.db2.gz PJQFYRGPGDAVRW-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000388020680 1108517454 /nfs/dbraw/zinc/51/74/54/1108517454.db2.gz JITKQJMKVSFWSF-NAZJXLNTSA-N 2 1 302.462 3.231 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001319832919 1108656942 /nfs/dbraw/zinc/65/69/42/1108656942.db2.gz FNIPXUJZENNZBP-BTHPGYMESA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001319832919 1108656946 /nfs/dbraw/zinc/65/69/46/1108656946.db2.gz FNIPXUJZENNZBP-BTHPGYMESA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390715381 1108676967 /nfs/dbraw/zinc/67/69/67/1108676967.db2.gz KKEDADMWCYDPQV-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001265213401 1108779199 /nfs/dbraw/zinc/77/91/99/1108779199.db2.gz RHHBYXCHOPGOOP-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265213401 1108779207 /nfs/dbraw/zinc/77/92/07/1108779207.db2.gz RHHBYXCHOPGOOP-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001265213401 1108779215 /nfs/dbraw/zinc/77/92/15/1108779215.db2.gz RHHBYXCHOPGOOP-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001282683721 1109552005 /nfs/dbraw/zinc/55/20/05/1109552005.db2.gz YFNMXUAIVZAVQQ-IPLHWJFFSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001282683721 1109552007 /nfs/dbraw/zinc/55/20/07/1109552007.db2.gz YFNMXUAIVZAVQQ-IPLHWJFFSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001282683721 1109552010 /nfs/dbraw/zinc/55/20/10/1109552010.db2.gz YFNMXUAIVZAVQQ-IPLHWJFFSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001307483495 1111304388 /nfs/dbraw/zinc/30/43/88/1111304388.db2.gz XNIIXFPVERFHES-MJGOQNOKSA-N 2 1 320.452 3.118 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001307483495 1111304392 /nfs/dbraw/zinc/30/43/92/1111304392.db2.gz XNIIXFPVERFHES-MJGOQNOKSA-N 2 1 320.452 3.118 20 0 DGADMP CC[N@H+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC001307586840 1111316295 /nfs/dbraw/zinc/31/62/95/1111316295.db2.gz WJUJSXQWKFGQFO-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc([Si](C)(C)C)cc1 ZINC001307723515 1111331698 /nfs/dbraw/zinc/33/16/98/1111331698.db2.gz FLORARFZNLQVEQ-UHFFFAOYSA-N 2 1 304.554 3.150 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc([Si](C)(C)C)cc1 ZINC001307723515 1111331703 /nfs/dbraw/zinc/33/17/03/1111331703.db2.gz FLORARFZNLQVEQ-UHFFFAOYSA-N 2 1 304.554 3.150 20 0 DGADMP c1ccc(C[NH+]2CCC[N@@H+](CC3CCCC3)CCOCC2)cc1 ZINC001308106228 1111378345 /nfs/dbraw/zinc/37/83/45/1111378345.db2.gz ACWGECUIBZACED-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[NH+]2CCC[N@H+](CC3CCCC3)CCOCC2)cc1 ZINC001308106228 1111378349 /nfs/dbraw/zinc/37/83/49/1111378349.db2.gz ACWGECUIBZACED-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[N@H+]2CCC[NH+](CC3CCCC3)CCOCC2)cc1 ZINC001308106228 1111378353 /nfs/dbraw/zinc/37/83/53/1111378353.db2.gz ACWGECUIBZACED-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(C[N@@H+]2CCC[NH+](CC3CCCC3)CCOCC2)cc1 ZINC001308106228 1111378357 /nfs/dbraw/zinc/37/83/57/1111378357.db2.gz ACWGECUIBZACED-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cccc2cccnc21 ZINC001308246640 1111403831 /nfs/dbraw/zinc/40/38/31/1111403831.db2.gz HHEGUTXPBIBYGZ-UHFFFAOYSA-N 2 1 306.413 3.028 20 0 DGADMP Cc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccc1Cl ZINC001308253562 1111405570 /nfs/dbraw/zinc/40/55/70/1111405570.db2.gz BVKSOBICSWOJMX-UHFFFAOYSA-N 2 1 323.912 3.012 20 0 DGADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C)c(C)c3)CC2)nc(C)[nH+]1 ZINC001308292901 1111412020 /nfs/dbraw/zinc/41/20/20/1111412020.db2.gz PIAQRJLJKIPJIS-UHFFFAOYSA-N 2 1 324.472 3.469 20 0 DGADMP C[C@H]([NH2+]Cc1cnc2ccccn12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308367477 1111422175 /nfs/dbraw/zinc/42/21/75/1111422175.db2.gz FDXWSOZVHUAMAZ-JKSUJKDBSA-N 2 1 312.461 3.077 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC001308452018 1111429838 /nfs/dbraw/zinc/42/98/38/1111429838.db2.gz AELBUGLWISELSP-AWEZNQCLSA-N 2 1 312.523 3.228 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)[NH+](C)C ZINC001308479992 1111433729 /nfs/dbraw/zinc/43/37/29/1111433729.db2.gz XPEKZCPOYIOYKM-CQSZACIVSA-N 2 1 306.450 3.072 20 0 DGADMP CC[C@@H](C)CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001308551257 1111442520 /nfs/dbraw/zinc/44/25/20/1111442520.db2.gz IUXKQCYGRQOAIM-OAHLLOKOSA-N 2 1 312.461 3.445 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001308573300 1111445543 /nfs/dbraw/zinc/44/55/43/1111445543.db2.gz FRLUBQQTNMOLHH-JXFKEZNVSA-N 2 1 313.489 3.485 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC001308578758 1111447530 /nfs/dbraw/zinc/44/75/30/1111447530.db2.gz XBJPNUSHVNJYJH-IRXDYDNUSA-N 2 1 322.518 3.368 20 0 DGADMP CCCn1cncc1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001308742220 1111468881 /nfs/dbraw/zinc/46/88/81/1111468881.db2.gz AGIVKZOXCDBHOX-UHFFFAOYSA-N 2 1 314.477 3.377 20 0 DGADMP CCCn1cncc1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001308742220 1111468885 /nfs/dbraw/zinc/46/88/85/1111468885.db2.gz AGIVKZOXCDBHOX-UHFFFAOYSA-N 2 1 314.477 3.377 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308744870 1111469414 /nfs/dbraw/zinc/46/94/14/1111469414.db2.gz OFQYKGJBQIHCRU-UHFFFAOYSA-N 2 1 307.388 3.424 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308744870 1111469415 /nfs/dbraw/zinc/46/94/15/1111469415.db2.gz OFQYKGJBQIHCRU-UHFFFAOYSA-N 2 1 307.388 3.424 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC001308914400 1111492847 /nfs/dbraw/zinc/49/28/47/1111492847.db2.gz OBZNXRHQPCHVOO-UHFFFAOYSA-N 2 1 318.461 3.171 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](C)Cc1ccc2c(c1)CCCC2)C[NH+](C)C ZINC001308936307 1111496500 /nfs/dbraw/zinc/49/65/00/1111496500.db2.gz VMSNFKMXNCULIX-OXJNMPFZSA-N 2 1 318.505 3.053 20 0 DGADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1)C[NH+](C)C ZINC001308936295 1111496619 /nfs/dbraw/zinc/49/66/19/1111496619.db2.gz VDLLXDCVEOLSLX-GUDVDZBRSA-N 2 1 304.478 3.187 20 0 DGADMP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001316769586 1111761508 /nfs/dbraw/zinc/76/15/08/1111761508.db2.gz HHUXHUZDDIMHFN-IPLHWJFFSA-N 2 1 323.525 3.044 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000278693272 214331106 /nfs/dbraw/zinc/33/11/06/214331106.db2.gz UYCQJKKGIIRWBM-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000309667411 231101026 /nfs/dbraw/zinc/10/10/26/231101026.db2.gz ACXQVGNBHZDCGX-ZWKOTPCHSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000309667409 231101314 /nfs/dbraw/zinc/10/13/14/231101314.db2.gz ACXQVGNBHZDCGX-QZTJIDSGSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309734806 231105787 /nfs/dbraw/zinc/10/57/87/231105787.db2.gz QIXXGQGZINZHOG-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP COC1(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000319654775 231186953 /nfs/dbraw/zinc/18/69/53/231186953.db2.gz QALKWHZLGTZGOX-QGZVFWFLSA-N 2 1 304.478 3.446 20 0 DGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415064548 529595409 /nfs/dbraw/zinc/59/54/09/529595409.db2.gz KYWWJXAIGJHNRD-KDOFPFPSSA-N 2 1 317.477 3.073 20 0 DGADMP c1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000103229413 432005425 /nfs/dbraw/zinc/00/54/25/432005425.db2.gz WUPQDJAWCZSWGU-SFHVURJKSA-N 2 1 301.478 3.212 20 0 DGADMP c1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000103229413 432005428 /nfs/dbraw/zinc/00/54/28/432005428.db2.gz WUPQDJAWCZSWGU-SFHVURJKSA-N 2 1 301.478 3.212 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000432415492 529597472 /nfs/dbraw/zinc/59/74/72/529597472.db2.gz CSCTZESVZGHKGP-YJBOKZPZSA-N 2 1 308.441 3.367 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272777670 282206202 /nfs/dbraw/zinc/20/62/02/282206202.db2.gz NUARUFOTUQAZRP-MRXNPFEDSA-N 2 1 303.381 3.224 20 0 DGADMP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000166050799 197686746 /nfs/dbraw/zinc/68/67/46/197686746.db2.gz OFHSTLOAYFKIAU-OXJNMPFZSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@@H+]1C ZINC000166703672 197696679 /nfs/dbraw/zinc/69/66/79/197696679.db2.gz SISQIRRKMKXMEO-DKKFBQAASA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[N@H+]1C ZINC000166703672 197696680 /nfs/dbraw/zinc/69/66/80/197696680.db2.gz SISQIRRKMKXMEO-DKKFBQAASA-N 2 1 302.462 3.227 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426635 529706818 /nfs/dbraw/zinc/70/68/18/529706818.db2.gz SYACRXBDFYFISL-DLBZAZTESA-N 2 1 304.478 3.401 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1(C)C ZINC000441378240 529772363 /nfs/dbraw/zinc/77/23/63/529772363.db2.gz DCFUKGICPNIZPR-UHFFFAOYSA-N 2 1 317.521 3.100 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1C ZINC000129615381 432007542 /nfs/dbraw/zinc/00/75/42/432007542.db2.gz RFWLHCBHBVWGDL-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP CCOC1CC(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000286640723 219099162 /nfs/dbraw/zinc/09/91/62/219099162.db2.gz ZWURNZHCQJCBFY-HDYDNRTBSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC1CC(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000286640723 219099165 /nfs/dbraw/zinc/09/91/65/219099165.db2.gz ZWURNZHCQJCBFY-HDYDNRTBSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC1CC(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286640723 219099167 /nfs/dbraw/zinc/09/91/67/219099167.db2.gz ZWURNZHCQJCBFY-HDYDNRTBSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000430937017 529959144 /nfs/dbraw/zinc/95/91/44/529959144.db2.gz YNKNAYZMXWHGHA-LBPRGKRZSA-N 2 1 322.403 3.424 20 0 DGADMP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272741908 210147873 /nfs/dbraw/zinc/14/78/73/210147873.db2.gz INXJPPHWTZIHKE-QXAKKESOSA-N 2 1 318.505 3.284 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430008935 530047372 /nfs/dbraw/zinc/04/73/72/530047372.db2.gz ADVCAQAYGKTGIV-UHFFFAOYSA-N 2 1 320.864 3.480 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000305615032 530057076 /nfs/dbraw/zinc/05/70/76/530057076.db2.gz CDOAMQHUEQHXBA-PMPSAXMXSA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000305615032 530057077 /nfs/dbraw/zinc/05/70/77/530057077.db2.gz CDOAMQHUEQHXBA-PMPSAXMXSA-N 2 1 308.491 3.120 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000305615032 530057078 /nfs/dbraw/zinc/05/70/78/530057078.db2.gz CDOAMQHUEQHXBA-PMPSAXMXSA-N 2 1 308.491 3.120 20 0 DGADMP CN(Cc1ccc(Br)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104096139 432014753 /nfs/dbraw/zinc/01/47/53/432014753.db2.gz GSUJREQIHUPNSY-NSHDSACASA-N 2 1 317.296 3.284 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676453 210081099 /nfs/dbraw/zinc/08/10/99/210081099.db2.gz QYYPYRHHMWVDMA-QUCCMNQESA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676453 210081100 /nfs/dbraw/zinc/08/11/00/210081100.db2.gz QYYPYRHHMWVDMA-QUCCMNQESA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676453 210081104 /nfs/dbraw/zinc/08/11/04/210081104.db2.gz QYYPYRHHMWVDMA-QUCCMNQESA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676453 210081107 /nfs/dbraw/zinc/08/11/07/210081107.db2.gz QYYPYRHHMWVDMA-QUCCMNQESA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272676453 210081108 /nfs/dbraw/zinc/08/11/08/210081108.db2.gz QYYPYRHHMWVDMA-QUCCMNQESA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272676453 210081112 /nfs/dbraw/zinc/08/11/12/210081112.db2.gz QYYPYRHHMWVDMA-QUCCMNQESA-N 3 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272676453 210081114 /nfs/dbraw/zinc/08/11/14/210081114.db2.gz QYYPYRHHMWVDMA-QUCCMNQESA-N 3 1 317.521 3.217 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000279866396 215191833 /nfs/dbraw/zinc/19/18/33/215191833.db2.gz JHVGUBMOWMITNZ-INIZCTEOSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000279866396 215191835 /nfs/dbraw/zinc/19/18/35/215191835.db2.gz JHVGUBMOWMITNZ-INIZCTEOSA-N 2 1 315.486 3.453 20 0 DGADMP Brc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868665 432022590 /nfs/dbraw/zinc/02/25/90/432022590.db2.gz BLJHXRWQEDGRSQ-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868665 432022593 /nfs/dbraw/zinc/02/25/93/432022593.db2.gz BLJHXRWQEDGRSQ-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868665 432022596 /nfs/dbraw/zinc/02/25/96/432022596.db2.gz BLJHXRWQEDGRSQ-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000152406819 186069248 /nfs/dbraw/zinc/06/92/48/186069248.db2.gz VVPMGYLKVRZAQT-MSOLQXFVSA-N 2 1 316.489 3.116 20 0 DGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152464324 186075826 /nfs/dbraw/zinc/07/58/26/186075826.db2.gz OSXGIFFYWNPEJO-QWHCGFSZSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152464324 186075828 /nfs/dbraw/zinc/07/58/28/186075828.db2.gz OSXGIFFYWNPEJO-QWHCGFSZSA-N 2 1 308.853 3.484 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)N(C)C)cc1 ZINC000152614326 186090042 /nfs/dbraw/zinc/09/00/42/186090042.db2.gz VRSURHNGGOYUNE-CQSZACIVSA-N 2 1 300.450 3.172 20 0 DGADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268739725 186373719 /nfs/dbraw/zinc/37/37/19/186373719.db2.gz RQXYZUPTJIUQSC-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000268751046 186378480 /nfs/dbraw/zinc/37/84/80/186378480.db2.gz HVCFHTBMHZCIEA-OAHLLOKOSA-N 2 1 306.450 3.229 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000268751046 186378481 /nfs/dbraw/zinc/37/84/81/186378481.db2.gz HVCFHTBMHZCIEA-OAHLLOKOSA-N 2 1 306.450 3.229 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268759836 186381537 /nfs/dbraw/zinc/38/15/37/186381537.db2.gz GRQDWDIUIPKBDW-OHQAAIJDSA-N 2 1 302.462 3.404 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268759836 186381538 /nfs/dbraw/zinc/38/15/38/186381538.db2.gz GRQDWDIUIPKBDW-OHQAAIJDSA-N 2 1 302.462 3.404 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2cccnc2)CC1 ZINC000172160359 198048641 /nfs/dbraw/zinc/04/86/41/198048641.db2.gz NHNCFBAWVAXGCT-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000388541488 323653456 /nfs/dbraw/zinc/65/34/56/323653456.db2.gz WZBDKDGETMOSAR-ONGXEEELSA-N 2 1 303.269 3.118 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000172577554 198118425 /nfs/dbraw/zinc/11/84/25/198118425.db2.gz JVRMGDJHBKADRN-GOSISDBHSA-N 2 1 302.462 3.406 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858192 191238967 /nfs/dbraw/zinc/23/89/67/191238967.db2.gz YULDDVIUAHLAQW-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858192 191238969 /nfs/dbraw/zinc/23/89/69/191238969.db2.gz YULDDVIUAHLAQW-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858192 191238971 /nfs/dbraw/zinc/23/89/71/191238971.db2.gz YULDDVIUAHLAQW-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858192 191238974 /nfs/dbraw/zinc/23/89/74/191238974.db2.gz YULDDVIUAHLAQW-CQSZACIVSA-N 2 1 316.367 3.359 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000131090837 432032766 /nfs/dbraw/zinc/03/27/66/432032766.db2.gz YJZDPWYRZLQGMN-KRWDZBQOSA-N 2 1 304.482 3.115 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000131090837 432032768 /nfs/dbraw/zinc/03/27/68/432032768.db2.gz YJZDPWYRZLQGMN-KRWDZBQOSA-N 2 1 304.482 3.115 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000182097542 199386070 /nfs/dbraw/zinc/38/60/70/199386070.db2.gz DDXSIKBKWGTFBP-CQSZACIVSA-N 2 1 314.433 3.281 20 0 DGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727015 198376799 /nfs/dbraw/zinc/37/67/99/198376799.db2.gz ACSJKKHPJVZURH-GOSISDBHSA-N 2 1 323.912 3.360 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCC3CC[NH2+]CC3)c2C1 ZINC000236811677 202021765 /nfs/dbraw/zinc/02/17/65/202021765.db2.gz MAHMXFYSJOEUPK-UHFFFAOYSA-N 2 1 315.461 3.131 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CCC3CC[NH2+]CC3)c2C1 ZINC000236811677 202021768 /nfs/dbraw/zinc/02/17/68/202021768.db2.gz MAHMXFYSJOEUPK-UHFFFAOYSA-N 2 1 315.461 3.131 20 0 DGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164807814 432052035 /nfs/dbraw/zinc/05/20/35/432052035.db2.gz PMRRIRNFEQKKOM-YJBOKZPZSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164807814 432052036 /nfs/dbraw/zinc/05/20/36/432052036.db2.gz PMRRIRNFEQKKOM-YJBOKZPZSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164807814 432052038 /nfs/dbraw/zinc/05/20/38/432052038.db2.gz PMRRIRNFEQKKOM-YJBOKZPZSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000165632970 432056193 /nfs/dbraw/zinc/05/61/93/432056193.db2.gz QFTKLSRYUGUTAQ-HNNXBMFYSA-N 2 1 323.444 3.427 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1 ZINC000166266958 432059666 /nfs/dbraw/zinc/05/96/66/432059666.db2.gz QQSVYJAJLXWRAW-IFXJQAMLSA-N 2 1 312.461 3.172 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1)C(C)C ZINC000236923942 202073428 /nfs/dbraw/zinc/07/34/28/202073428.db2.gz ALXCJCVXQHTODK-LJQANCHMSA-N 2 1 319.493 3.020 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Br)s1 ZINC000133308818 432060545 /nfs/dbraw/zinc/06/05/45/432060545.db2.gz HILAQFKQPUYBJW-LLVKDONJSA-N 2 1 305.285 3.316 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Br)s1 ZINC000133308818 432060547 /nfs/dbraw/zinc/06/05/47/432060547.db2.gz HILAQFKQPUYBJW-LLVKDONJSA-N 2 1 305.285 3.316 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCOC1 ZINC000237131575 202161894 /nfs/dbraw/zinc/16/18/94/202161894.db2.gz SYFZIQFUFVTTJC-SFHVURJKSA-N 2 1 304.478 3.161 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCCc3ccccc32)CCOCC1 ZINC000168333536 432068360 /nfs/dbraw/zinc/06/83/60/432068360.db2.gz YQPMFWIYNNMTMB-SFHVURJKSA-N 2 1 302.462 3.155 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168334452 432068843 /nfs/dbraw/zinc/06/88/43/432068843.db2.gz LIYZOUMKAXHPDA-IBGZPJMESA-N 2 1 318.505 3.344 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133833860 432070595 /nfs/dbraw/zinc/07/05/95/432070595.db2.gz HNOQRKSOQYFQRH-DBVUQKKJSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000133833860 432070598 /nfs/dbraw/zinc/07/05/98/432070598.db2.gz HNOQRKSOQYFQRH-DBVUQKKJSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000133833860 432070600 /nfs/dbraw/zinc/07/06/00/432070600.db2.gz HNOQRKSOQYFQRH-DBVUQKKJSA-N 2 1 317.521 3.172 20 0 DGADMP C[C@H]([NH2+]C1(Cc2ccccc2Br)CC1)[C@@H]1CCC[NH2+]1 ZINC000423125088 299267037 /nfs/dbraw/zinc/26/70/37/299267037.db2.gz HKYRCLLMCPCKBN-WFASDCNBSA-N 2 1 323.278 3.254 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179782178 199080350 /nfs/dbraw/zinc/08/03/50/199080350.db2.gz PUFOWHQUXONRAA-KDOFPFPSSA-N 2 1 315.461 3.170 20 0 DGADMP C[C@@H](O)C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180149313 199123354 /nfs/dbraw/zinc/12/33/54/199123354.db2.gz HMTBJNNHLPJVNR-GYMWCJPTSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2)CCO1 ZINC000237422976 202260674 /nfs/dbraw/zinc/26/06/74/202260674.db2.gz IZNLDONHWWXWFA-QZTJIDSGSA-N 2 1 314.473 3.353 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2)CCO1 ZINC000237422976 202260676 /nfs/dbraw/zinc/26/06/76/202260676.db2.gz IZNLDONHWWXWFA-QZTJIDSGSA-N 2 1 314.473 3.353 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000180095116 432078559 /nfs/dbraw/zinc/07/85/59/432078559.db2.gz AWBYAXZKKYSYHF-HZPDHXFCSA-N 2 1 323.484 3.408 20 0 DGADMP FC(F)Oc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000415064839 237049713 /nfs/dbraw/zinc/04/97/13/237049713.db2.gz DUZPDYABPQFZAO-UHFFFAOYSA-N 2 1 304.768 3.173 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415034695 237023631 /nfs/dbraw/zinc/02/36/31/237023631.db2.gz CXCAVQIRFAGQJL-SUMDDJOVSA-N 2 1 302.462 3.263 20 0 DGADMP COCc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086510 237066900 /nfs/dbraw/zinc/06/69/00/237066900.db2.gz JSQYLTDVZWKXQC-WOJBJXKFSA-N 2 1 310.441 3.416 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000186843890 200020932 /nfs/dbraw/zinc/02/09/32/200020932.db2.gz PJLWRQTUHAHRTD-YUELXQCFSA-N 2 1 300.368 3.405 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000186858170 200022329 /nfs/dbraw/zinc/02/23/29/200022329.db2.gz PWSJJKIUOSQPQZ-UHFFFAOYSA-N 2 1 308.416 3.460 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2)CCO1 ZINC000237637907 202313830 /nfs/dbraw/zinc/31/38/30/202313830.db2.gz IZNLDONHWWXWFA-ZWKOTPCHSA-N 2 1 314.473 3.353 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2)CCO1 ZINC000237637907 202313834 /nfs/dbraw/zinc/31/38/34/202313834.db2.gz IZNLDONHWWXWFA-ZWKOTPCHSA-N 2 1 314.473 3.353 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000170884431 432086247 /nfs/dbraw/zinc/08/62/47/432086247.db2.gz RMXILXSLCFJVAR-LLVKDONJSA-N 2 1 317.296 3.284 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000170884431 432086251 /nfs/dbraw/zinc/08/62/51/432086251.db2.gz RMXILXSLCFJVAR-LLVKDONJSA-N 2 1 317.296 3.284 20 0 DGADMP C[NH+](Cc1cc(Br)cs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000170884431 432086253 /nfs/dbraw/zinc/08/62/53/432086253.db2.gz RMXILXSLCFJVAR-LLVKDONJSA-N 2 1 317.296 3.284 20 0 DGADMP C[NH+](Cc1cc(Br)cs1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000170884431 432086255 /nfs/dbraw/zinc/08/62/55/432086255.db2.gz RMXILXSLCFJVAR-LLVKDONJSA-N 2 1 317.296 3.284 20 0 DGADMP C[C@@H]1CC[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000188558370 200266094 /nfs/dbraw/zinc/26/60/94/200266094.db2.gz VCTWIEFBCUBHEF-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000188558370 200266095 /nfs/dbraw/zinc/26/60/95/200266095.db2.gz VCTWIEFBCUBHEF-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000188558370 200266097 /nfs/dbraw/zinc/26/60/97/200266097.db2.gz VCTWIEFBCUBHEF-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328736 237696714 /nfs/dbraw/zinc/69/67/14/237696714.db2.gz MXXBKRIWFWVDJL-KGLIPLIRSA-N 2 1 308.853 3.170 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422761386 237795039 /nfs/dbraw/zinc/79/50/39/237795039.db2.gz HOPAWCBKMWZFKF-OALUTQOASA-N 2 1 312.461 3.239 20 0 DGADMP Fc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134885797 432088270 /nfs/dbraw/zinc/08/82/70/432088270.db2.gz UNXINIXEBDYKRI-DNVCBOLYSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134885797 432088271 /nfs/dbraw/zinc/08/82/71/432088271.db2.gz UNXINIXEBDYKRI-DNVCBOLYSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134885797 432088274 /nfs/dbraw/zinc/08/82/74/432088274.db2.gz UNXINIXEBDYKRI-DNVCBOLYSA-N 2 1 318.436 3.153 20 0 DGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000425938607 237959496 /nfs/dbraw/zinc/95/94/96/237959496.db2.gz QQJKZGLMQZVZQI-CHWSQXEVSA-N 2 1 300.393 3.445 20 0 DGADMP c1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134894417 432089582 /nfs/dbraw/zinc/08/95/82/432089582.db2.gz ZKKVNMBLUKXZCN-XLIONFOSSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134894417 432089584 /nfs/dbraw/zinc/08/95/84/432089584.db2.gz ZKKVNMBLUKXZCN-XLIONFOSSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134894417 432089586 /nfs/dbraw/zinc/08/95/86/432089586.db2.gz ZKKVNMBLUKXZCN-XLIONFOSSA-N 2 1 314.473 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134894417 432089588 /nfs/dbraw/zinc/08/95/88/432089588.db2.gz ZKKVNMBLUKXZCN-XLIONFOSSA-N 2 1 314.473 3.404 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545370 238079377 /nfs/dbraw/zinc/07/93/77/238079377.db2.gz QAIPBRHNTMKZQS-OCCSQVGLSA-N 2 1 303.381 3.040 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545370 238079378 /nfs/dbraw/zinc/07/93/78/238079378.db2.gz QAIPBRHNTMKZQS-OCCSQVGLSA-N 2 1 303.381 3.040 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc2)n1 ZINC000430587214 238080845 /nfs/dbraw/zinc/08/08/45/238080845.db2.gz VKGLDOFFKYSMIM-IBGZPJMESA-N 2 1 314.477 3.294 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430648526 238082437 /nfs/dbraw/zinc/08/24/37/238082437.db2.gz RESQQHUFJAGNEG-INIZCTEOSA-N 2 1 320.440 3.172 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000430967111 238091450 /nfs/dbraw/zinc/09/14/50/238091450.db2.gz QUJWJTUPESGKHJ-AWEZNQCLSA-N 2 1 315.486 3.293 20 0 DGADMP Oc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000433040155 238143967 /nfs/dbraw/zinc/14/39/67/238143967.db2.gz RIEXNERSWBOGCX-LJQANCHMSA-N 2 1 322.452 3.114 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000272007563 209379684 /nfs/dbraw/zinc/37/96/84/209379684.db2.gz FMIVYIXXHMXCPR-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000272007563 209379688 /nfs/dbraw/zinc/37/96/88/209379688.db2.gz FMIVYIXXHMXCPR-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000271885132 209295758 /nfs/dbraw/zinc/29/57/58/209295758.db2.gz NFIASXINUXJGIO-UHFFFAOYSA-N 2 1 300.377 3.437 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOCC(F)F)cc1 ZINC000189858585 432097203 /nfs/dbraw/zinc/09/72/03/432097203.db2.gz UGHHUOCBOHFBME-LBPRGKRZSA-N 2 1 309.360 3.113 20 0 DGADMP C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412085600 291276762 /nfs/dbraw/zinc/27/67/62/291276762.db2.gz OGZIMBHZXNPBOA-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP C=Cn1cc(C[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000194369859 201212687 /nfs/dbraw/zinc/21/26/87/201212687.db2.gz JGTJPOWIEIZDEC-XEWABKELSA-N 2 1 324.472 3.230 20 0 DGADMP C=Cn1cc(C[NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000194369859 201212689 /nfs/dbraw/zinc/21/26/89/201212689.db2.gz JGTJPOWIEIZDEC-XEWABKELSA-N 2 1 324.472 3.230 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441322761 239036917 /nfs/dbraw/zinc/03/69/17/239036917.db2.gz HQLDDUNMHUMEMU-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441322761 239036919 /nfs/dbraw/zinc/03/69/19/239036919.db2.gz HQLDDUNMHUMEMU-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc(C)c(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441322761 239036923 /nfs/dbraw/zinc/03/69/23/239036923.db2.gz HQLDDUNMHUMEMU-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc(C)c(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441322761 239036925 /nfs/dbraw/zinc/03/69/25/239036925.db2.gz HQLDDUNMHUMEMU-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCCC1 ZINC000281545332 216374195 /nfs/dbraw/zinc/37/41/95/216374195.db2.gz IWNMPEKRXVGPDU-QGZVFWFLSA-N 2 1 305.441 3.383 20 0 DGADMP CCCCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271859049 209273377 /nfs/dbraw/zinc/27/33/77/209273377.db2.gz VONYEFDDXUYSII-UHFFFAOYSA-N 2 1 318.461 3.226 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442792040 239125251 /nfs/dbraw/zinc/12/52/51/239125251.db2.gz NCKOHTXAKYVTNW-IRXDYDNUSA-N 2 1 323.484 3.489 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442792040 239125253 /nfs/dbraw/zinc/12/52/53/239125253.db2.gz NCKOHTXAKYVTNW-IRXDYDNUSA-N 2 1 323.484 3.489 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442925805 239153242 /nfs/dbraw/zinc/15/32/42/239153242.db2.gz WWLGQUHUPPXXMR-QGZVFWFLSA-N 2 1 312.461 3.050 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271827306 209247909 /nfs/dbraw/zinc/24/79/09/209247909.db2.gz DHOIGZIFYACDRG-CYBMUJFWSA-N 2 1 312.379 3.488 20 0 DGADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc21 ZINC000271813003 209238058 /nfs/dbraw/zinc/23/80/58/209238058.db2.gz JOZKNLIDMWRRSH-APWZRJJASA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000271813003 209238060 /nfs/dbraw/zinc/23/80/60/209238060.db2.gz JOZKNLIDMWRRSH-APWZRJJASA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000271813003 209238063 /nfs/dbraw/zinc/23/80/63/209238063.db2.gz JOZKNLIDMWRRSH-APWZRJJASA-N 2 1 324.472 3.022 20 0 DGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951673 223323889 /nfs/dbraw/zinc/32/38/89/223323889.db2.gz IRKGUFQJVYQMLR-LFGUQSLTSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951673 223323891 /nfs/dbraw/zinc/32/38/91/223323891.db2.gz IRKGUFQJVYQMLR-LFGUQSLTSA-N 2 1 316.489 3.180 20 0 DGADMP Fc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000449067953 240000931 /nfs/dbraw/zinc/00/09/31/240000931.db2.gz PHQJJDWGOAEDHT-UHFFFAOYSA-N 2 1 313.420 3.496 20 0 DGADMP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275455663 212344480 /nfs/dbraw/zinc/34/44/80/212344480.db2.gz GVJJNKVTJMEOSK-HUUCEWRRSA-N 2 1 315.486 3.388 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](NCc2cccc(C)c2F)[C@H](C)C1 ZINC000449138859 240034916 /nfs/dbraw/zinc/03/49/16/240034916.db2.gz JGMCXDYQNFBGCS-SJLPKXTDSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449138859 240034917 /nfs/dbraw/zinc/03/49/17/240034917.db2.gz JGMCXDYQNFBGCS-SJLPKXTDSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449138859 240034923 /nfs/dbraw/zinc/03/49/23/240034923.db2.gz JGMCXDYQNFBGCS-SJLPKXTDSA-N 2 1 322.468 3.361 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449147339 240039462 /nfs/dbraw/zinc/03/94/62/240039462.db2.gz GDXIFMJVLDSXIO-QZTJIDSGSA-N 2 1 308.510 3.316 20 0 DGADMP Cc1cccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000449220598 240076200 /nfs/dbraw/zinc/07/62/00/240076200.db2.gz DFZXOBULWZSLIO-UHFFFAOYSA-N 2 1 316.489 3.162 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCCC(C)(F)F)sc2C1 ZINC000449352140 240150529 /nfs/dbraw/zinc/15/05/29/240150529.db2.gz UKMGNNZXDWAEHK-UHFFFAOYSA-N 2 1 317.449 3.435 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCCC(C)(F)F)sc2C1 ZINC000449352140 240150537 /nfs/dbraw/zinc/15/05/37/240150537.db2.gz UKMGNNZXDWAEHK-UHFFFAOYSA-N 2 1 317.449 3.435 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000449400494 240176897 /nfs/dbraw/zinc/17/68/97/240176897.db2.gz IXSMWOCQPAEXRC-QUCCMNQESA-N 2 1 316.489 3.271 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000449402636 240180673 /nfs/dbraw/zinc/18/06/73/240180673.db2.gz SDUOUKMHVBTOSC-WBMJQRKESA-N 2 1 314.832 3.178 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325064 240131302 /nfs/dbraw/zinc/13/13/02/240131302.db2.gz JOOLCXQWAGOHOF-CHWSQXEVSA-N 2 1 305.372 3.291 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000449484858 240235042 /nfs/dbraw/zinc/23/50/42/240235042.db2.gz JSJURHSRUQNZEJ-MLGOLLRUSA-N 2 1 314.832 3.178 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)s2)o1 ZINC000449554869 240286067 /nfs/dbraw/zinc/28/60/67/240286067.db2.gz FGBUTOQLRWHTMK-AGUYFDCRSA-N 2 1 317.458 3.426 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)s2)o1 ZINC000449554869 240286070 /nfs/dbraw/zinc/28/60/70/240286070.db2.gz FGBUTOQLRWHTMK-AGUYFDCRSA-N 2 1 317.458 3.426 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560578 240290144 /nfs/dbraw/zinc/29/01/44/240290144.db2.gz MXTDBHCFLJEGDZ-PANBIXPWSA-N 2 1 319.537 3.244 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000449618862 240322810 /nfs/dbraw/zinc/32/28/10/240322810.db2.gz MDIXOGVOROKCSH-XPYUAMARSA-N 2 1 302.462 3.261 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091285197 193031153 /nfs/dbraw/zinc/03/11/53/193031153.db2.gz AELPFOJCOPYUDM-FQEVSTJZSA-N 2 1 315.505 3.145 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043302 193145285 /nfs/dbraw/zinc/14/52/85/193145285.db2.gz YEORKHBJEMVRKG-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043302 193145286 /nfs/dbraw/zinc/14/52/86/193145286.db2.gz YEORKHBJEMVRKG-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000092043302 193145288 /nfs/dbraw/zinc/14/52/88/193145288.db2.gz YEORKHBJEMVRKG-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000092043302 193145290 /nfs/dbraw/zinc/14/52/90/193145290.db2.gz YEORKHBJEMVRKG-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066460 193152985 /nfs/dbraw/zinc/15/29/85/193152985.db2.gz OPPCNXKXWTVSQZ-UYAOXDASSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066460 193152987 /nfs/dbraw/zinc/15/29/87/193152987.db2.gz OPPCNXKXWTVSQZ-UYAOXDASSA-N 2 1 314.473 3.282 20 0 DGADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066460 193152990 /nfs/dbraw/zinc/15/29/90/193152990.db2.gz OPPCNXKXWTVSQZ-UYAOXDASSA-N 2 1 314.473 3.282 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257814 212229882 /nfs/dbraw/zinc/22/98/82/212229882.db2.gz JKLITFXQINCUJJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257814 212229873 /nfs/dbraw/zinc/22/98/73/212229873.db2.gz JKLITFXQINCUJJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257814 212229876 /nfs/dbraw/zinc/22/98/76/212229876.db2.gz JKLITFXQINCUJJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000275257814 212229880 /nfs/dbraw/zinc/22/98/80/212229880.db2.gz JKLITFXQINCUJJ-SWLSCSKDSA-N 2 1 300.368 3.477 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2CC[NH2+]CC2)CC1)CC(C)C ZINC000455659160 242259111 /nfs/dbraw/zinc/25/91/11/242259111.db2.gz OUNONQNNFIZZRT-UHFFFAOYSA-N 3 1 309.542 3.066 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000093742225 284014543 /nfs/dbraw/zinc/01/45/43/284014543.db2.gz IEOSPLBBKWDXMB-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000093742225 284014544 /nfs/dbraw/zinc/01/45/44/284014544.db2.gz IEOSPLBBKWDXMB-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093742225 284014546 /nfs/dbraw/zinc/01/45/46/284014546.db2.gz IEOSPLBBKWDXMB-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093742225 284014548 /nfs/dbraw/zinc/01/45/48/284014548.db2.gz IEOSPLBBKWDXMB-INIZCTEOSA-N 2 1 300.446 3.126 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271501684 296114765 /nfs/dbraw/zinc/11/47/65/296114765.db2.gz NINPSLSFIPHKBQ-BMIGLBTASA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000275146849 212150036 /nfs/dbraw/zinc/15/00/36/212150036.db2.gz UTSUZFTZVPASKG-MDNKFWRPSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)CC[N@H+]1Cc1ccccc1 ZINC000275146849 212150037 /nfs/dbraw/zinc/15/00/37/212150037.db2.gz UTSUZFTZVPASKG-MDNKFWRPSA-N 2 1 316.489 3.180 20 0 DGADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1O ZINC000459381823 243353034 /nfs/dbraw/zinc/35/30/34/243353034.db2.gz VIDYHGRLVLZSEQ-GDBMZVCRSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)ccc1O ZINC000459381823 243353040 /nfs/dbraw/zinc/35/30/40/243353040.db2.gz VIDYHGRLVLZSEQ-GDBMZVCRSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1O ZINC000459381823 243353053 /nfs/dbraw/zinc/35/30/53/243353053.db2.gz VIDYHGRLVLZSEQ-GDBMZVCRSA-N 2 1 306.450 3.096 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000459466934 243381735 /nfs/dbraw/zinc/38/17/35/243381735.db2.gz PLOOSUWEYJKOLG-IBGZPJMESA-N 2 1 314.473 3.066 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000459513342 243397775 /nfs/dbraw/zinc/39/77/75/243397775.db2.gz AAXDWJSWXJNJOU-UHFFFAOYSA-N 2 1 308.853 3.455 20 0 DGADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261785955 203116049 /nfs/dbraw/zinc/11/60/49/203116049.db2.gz FVAWWGDIZULFMO-INIZCTEOSA-N 2 1 322.880 3.430 20 0 DGADMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1cccc(C)c1 ZINC000469078290 244083641 /nfs/dbraw/zinc/08/36/41/244083641.db2.gz ULQDLAXWJKGPRA-HKUYNNGSSA-N 2 1 303.494 3.141 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H](C)C1 ZINC000469787562 244123306 /nfs/dbraw/zinc/12/33/06/244123306.db2.gz PNHKSBVTUQNCQL-WMZOPIPTSA-N 2 1 324.534 3.407 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000469805943 244125583 /nfs/dbraw/zinc/12/55/83/244125583.db2.gz BIVQELAYDXXLLW-UHFFFAOYSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000470023358 244142481 /nfs/dbraw/zinc/14/24/81/244142481.db2.gz ZYKOQILAKPZYSU-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000470023358 244142483 /nfs/dbraw/zinc/14/24/83/244142483.db2.gz ZYKOQILAKPZYSU-AWEZNQCLSA-N 2 1 312.404 3.336 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000471867010 244261086 /nfs/dbraw/zinc/26/10/86/244261086.db2.gz YWXBCZWAAAYSDZ-NHCUHLMSSA-N 2 1 323.484 3.296 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCCOC1 ZINC000472351936 244302559 /nfs/dbraw/zinc/30/25/59/244302559.db2.gz XQKPYFPSDMHNBN-HSALFYBXSA-N 2 1 316.489 3.085 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000472357057 244302657 /nfs/dbraw/zinc/30/26/57/244302657.db2.gz XTONDTDIUWKPLV-WMZOPIPTSA-N 2 1 315.486 3.315 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000472357055 244301578 /nfs/dbraw/zinc/30/15/78/244301578.db2.gz XTONDTDIUWKPLV-FUHWJXTLSA-N 2 1 315.486 3.315 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275042657 212090438 /nfs/dbraw/zinc/09/04/38/212090438.db2.gz YUNYDUBCDFZZRX-UHFFFAOYSA-N 2 1 314.832 3.070 20 0 DGADMP Cc1ncccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336993 193233647 /nfs/dbraw/zinc/23/36/47/193233647.db2.gz HNPYSFRWSBKAKC-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP Cc1ncccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336993 193233648 /nfs/dbraw/zinc/23/36/48/193233648.db2.gz HNPYSFRWSBKAKC-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP Cc1ncccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336993 193233650 /nfs/dbraw/zinc/23/36/50/193233650.db2.gz HNPYSFRWSBKAKC-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP Cc1ncccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336993 193233652 /nfs/dbraw/zinc/23/36/52/193233652.db2.gz HNPYSFRWSBKAKC-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP CC1(C)Cc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2O1 ZINC000093597410 193272125 /nfs/dbraw/zinc/27/21/25/193272125.db2.gz JMRBJFHDTMSQIW-INIZCTEOSA-N 2 1 314.473 3.318 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2O1 ZINC000093597410 193272126 /nfs/dbraw/zinc/27/21/26/193272126.db2.gz JMRBJFHDTMSQIW-INIZCTEOSA-N 2 1 314.473 3.318 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742063 193297696 /nfs/dbraw/zinc/29/76/96/193297696.db2.gz PQEJUWDVNUSPHE-INIZCTEOSA-N 2 1 312.461 3.240 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742063 193297698 /nfs/dbraw/zinc/29/76/98/193297698.db2.gz PQEJUWDVNUSPHE-INIZCTEOSA-N 2 1 312.461 3.240 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742063 193297700 /nfs/dbraw/zinc/29/77/00/193297700.db2.gz PQEJUWDVNUSPHE-INIZCTEOSA-N 2 1 312.461 3.240 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000093742063 193297701 /nfs/dbraw/zinc/29/77/01/193297701.db2.gz PQEJUWDVNUSPHE-INIZCTEOSA-N 2 1 312.461 3.240 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659975 193285209 /nfs/dbraw/zinc/28/52/09/193285209.db2.gz OVQJZGJGUNBNTR-SFHVURJKSA-N 2 1 312.461 3.383 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659975 193285210 /nfs/dbraw/zinc/28/52/10/193285210.db2.gz OVQJZGJGUNBNTR-SFHVURJKSA-N 2 1 312.461 3.383 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659975 193285212 /nfs/dbraw/zinc/28/52/12/193285212.db2.gz OVQJZGJGUNBNTR-SFHVURJKSA-N 2 1 312.461 3.383 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccccc1 ZINC000093659975 193285213 /nfs/dbraw/zinc/28/52/13/193285213.db2.gz OVQJZGJGUNBNTR-SFHVURJKSA-N 2 1 312.461 3.383 20 0 DGADMP Cc1nn(C)cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093844505 193318113 /nfs/dbraw/zinc/31/81/13/193318113.db2.gz UGQLWISVNZLMPB-MRXNPFEDSA-N 2 1 318.509 3.205 20 0 DGADMP COc1cccc([C@@H](CNc2cc[nH+]cc2Cl)[NH+](C)C)c1 ZINC000094195504 193348665 /nfs/dbraw/zinc/34/86/65/193348665.db2.gz YMMKFNLEMATLJG-MRXNPFEDSA-N 2 1 305.809 3.458 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246340199 432121472 /nfs/dbraw/zinc/12/14/72/432121472.db2.gz GVRPLOVXHNKBDC-WMLDXEAASA-N 2 1 310.869 3.177 20 0 DGADMP C[C@@H]1C[C@H](NCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331119 284217571 /nfs/dbraw/zinc/21/75/71/284217571.db2.gz MHXZRMMLDCLNMG-RISCZKNCSA-N 2 1 309.251 3.164 20 0 DGADMP C[C@@H]1C[C@H](NCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331119 284217572 /nfs/dbraw/zinc/21/75/72/284217572.db2.gz MHXZRMMLDCLNMG-RISCZKNCSA-N 2 1 309.251 3.164 20 0 DGADMP C[C@H]1C[C@@H](NCc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122296347 284216706 /nfs/dbraw/zinc/21/67/06/284216706.db2.gz AFTGCJGRTSNTBZ-SMDDNHRTSA-N 2 1 309.251 3.164 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000488122412 245149541 /nfs/dbraw/zinc/14/95/41/245149541.db2.gz VEZYHECADAKHFF-TVFCKZIOSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000488122412 245149544 /nfs/dbraw/zinc/14/95/44/245149544.db2.gz VEZYHECADAKHFF-TVFCKZIOSA-N 2 1 306.494 3.188 20 0 DGADMP CC[NH2+]Cc1cccc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000123545507 284240513 /nfs/dbraw/zinc/24/05/13/284240513.db2.gz NCGNUSYGFOVNSG-UHFFFAOYSA-N 2 1 314.433 3.145 20 0 DGADMP C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000488421982 245187855 /nfs/dbraw/zinc/18/78/55/245187855.db2.gz UHLZJMRLGFIVAB-GGXPGOJBSA-N 2 1 302.462 3.041 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246371484 432123190 /nfs/dbraw/zinc/12/31/90/432123190.db2.gz JIDNMXUPGYMYJH-XJKSGUPXSA-N 2 1 310.869 3.354 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]2C1 ZINC000488791356 245235025 /nfs/dbraw/zinc/23/50/25/245235025.db2.gz YBPSADDBFYDGQW-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]2C1 ZINC000488791356 245235031 /nfs/dbraw/zinc/23/50/31/245235031.db2.gz YBPSADDBFYDGQW-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]2C1 ZINC000488791356 245235036 /nfs/dbraw/zinc/23/50/36/245235036.db2.gz YBPSADDBFYDGQW-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]2C1 ZINC000488791356 245235041 /nfs/dbraw/zinc/23/50/41/245235041.db2.gz YBPSADDBFYDGQW-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124342646 284257584 /nfs/dbraw/zinc/25/75/84/284257584.db2.gz FWOCTSHHSOLHSG-KRWDZBQOSA-N 2 1 317.521 3.173 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000124485412 284259934 /nfs/dbraw/zinc/25/99/34/284259934.db2.gz NCLSFGNSOSAJHR-SFHVURJKSA-N 2 1 317.521 3.228 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000124485265 284260034 /nfs/dbraw/zinc/26/00/34/284260034.db2.gz NCLSFGNSOSAJHR-GOSISDBHSA-N 2 1 317.521 3.228 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274879097 212005345 /nfs/dbraw/zinc/00/53/45/212005345.db2.gz HETNNENXRXTPSR-YLJYHZDGSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000268732249 432126911 /nfs/dbraw/zinc/12/69/11/432126911.db2.gz MRMDCLCKLUSXRO-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000268732249 432126916 /nfs/dbraw/zinc/12/69/16/432126916.db2.gz MRMDCLCKLUSXRO-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP CN(c1ccccc1C[N@@H+](C)CC1CCC1)C1CC[NH+](C)CC1 ZINC000127796511 284351853 /nfs/dbraw/zinc/35/18/53/284351853.db2.gz ZUYSYGSUNGWZQO-UHFFFAOYSA-N 2 1 315.505 3.449 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000266249304 205214948 /nfs/dbraw/zinc/21/49/48/205214948.db2.gz ZJLXSMYFJCKPAX-UHFFFAOYSA-N 2 1 309.360 3.015 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)s2)cn1 ZINC000282897203 217308443 /nfs/dbraw/zinc/30/84/43/217308443.db2.gz YJMHKQMLQMSFGQ-OAHLLOKOSA-N 2 1 318.490 3.065 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)s2)cn1 ZINC000282897203 217308446 /nfs/dbraw/zinc/30/84/46/217308446.db2.gz YJMHKQMLQMSFGQ-OAHLLOKOSA-N 2 1 318.490 3.065 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000268767935 432130098 /nfs/dbraw/zinc/13/00/98/432130098.db2.gz OKGDMUNIIKHGOS-HLLBOEOZSA-N 2 1 320.477 3.302 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000268767935 432130101 /nfs/dbraw/zinc/13/01/01/432130101.db2.gz OKGDMUNIIKHGOS-HLLBOEOZSA-N 2 1 320.477 3.302 20 0 DGADMP COCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000268768755 432130953 /nfs/dbraw/zinc/13/09/53/432130953.db2.gz CZDUTMLGWZEBSW-UHFFFAOYSA-N 2 1 314.429 3.312 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc43)CC2)cc1 ZINC000288544525 220223669 /nfs/dbraw/zinc/22/36/69/220223669.db2.gz LCDQZMRRSLNBJJ-GOSISDBHSA-N 2 1 322.452 3.417 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CCCCC1 ZINC000493976527 246103341 /nfs/dbraw/zinc/10/33/41/246103341.db2.gz JLJXZHPADNVYTE-IXDOHACOSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000495045382 246226645 /nfs/dbraw/zinc/22/66/45/246226645.db2.gz LWEWFWKBWYMWNQ-OHDICMOHSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@H+]1C ZINC000495045382 246226650 /nfs/dbraw/zinc/22/66/50/246226650.db2.gz LWEWFWKBWYMWNQ-OHDICMOHSA-N 2 1 320.452 3.366 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCCC2 ZINC000181809093 432144760 /nfs/dbraw/zinc/14/47/60/432144760.db2.gz AUOXIEUTLMMNOC-DLBZAZTESA-N 2 1 305.466 3.299 20 0 DGADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163793 194189738 /nfs/dbraw/zinc/18/97/38/194189738.db2.gz ZRGFTFYXHGHAGU-FUHWJXTLSA-N 2 1 319.493 3.270 20 0 DGADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000106466192 194219471 /nfs/dbraw/zinc/21/94/71/194219471.db2.gz VVBSRTFUIBECPQ-UHFFFAOYSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268860786 207029525 /nfs/dbraw/zinc/02/95/25/207029525.db2.gz GADWOANETBLVKB-KBAYOESNSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268860786 207029528 /nfs/dbraw/zinc/02/95/28/207029528.db2.gz GADWOANETBLVKB-KBAYOESNSA-N 2 1 304.478 3.036 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000268881347 207050492 /nfs/dbraw/zinc/05/04/92/207050492.db2.gz HVXDMSRCVBZCAY-ZWKOTPCHSA-N 2 1 304.478 3.191 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268885369 207054306 /nfs/dbraw/zinc/05/43/06/207054306.db2.gz NTWOABFPUHEPNS-LAUBAEHRSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000268885369 207054308 /nfs/dbraw/zinc/05/43/08/207054308.db2.gz NTWOABFPUHEPNS-LAUBAEHRSA-N 2 1 324.468 3.322 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268898939 207065942 /nfs/dbraw/zinc/06/59/42/207065942.db2.gz PUVYEPTZODZLIJ-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268898941 207066491 /nfs/dbraw/zinc/06/64/91/207066491.db2.gz PUVYEPTZODZLIJ-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCC2 ZINC000268919703 207087087 /nfs/dbraw/zinc/08/70/87/207087087.db2.gz OOSGGFAHAQSMPY-OXQOHEQNSA-N 2 1 316.489 3.063 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268926801 207092985 /nfs/dbraw/zinc/09/29/85/207092985.db2.gz YBSRHWCFWIAGEK-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268926801 207092990 /nfs/dbraw/zinc/09/29/90/207092990.db2.gz YBSRHWCFWIAGEK-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268952546 207116934 /nfs/dbraw/zinc/11/69/34/207116934.db2.gz CQCAMCVNEXCYSC-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268952546 207116936 /nfs/dbraw/zinc/11/69/36/207116936.db2.gz CQCAMCVNEXCYSC-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269022869 207173221 /nfs/dbraw/zinc/17/32/21/207173221.db2.gz BZUBPWQDKSJNDX-IPELMVKDSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269022869 207173224 /nfs/dbraw/zinc/17/32/24/207173224.db2.gz BZUBPWQDKSJNDX-IPELMVKDSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@H+](Cc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000063121423 184271567 /nfs/dbraw/zinc/27/15/67/184271567.db2.gz PMIPZJVGRCBBQK-UHFFFAOYSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791862 296329124 /nfs/dbraw/zinc/32/91/24/296329124.db2.gz SAPIGNDGSVIXHT-HBFSDRIKSA-N 3 1 321.553 3.351 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000248905796 285038507 /nfs/dbraw/zinc/03/85/07/285038507.db2.gz YMAZALGWOLIMIT-LZLYRXPVSA-N 2 1 316.489 3.435 20 0 DGADMP COC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000295577851 533004388 /nfs/dbraw/zinc/00/43/88/533004388.db2.gz BEFQAQAAACRPNN-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)OCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120023942 195083113 /nfs/dbraw/zinc/08/31/13/195083113.db2.gz URIOYYDJJWXYMU-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP CC(C)OCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120023942 195083116 /nfs/dbraw/zinc/08/31/16/195083116.db2.gz URIOYYDJJWXYMU-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000336720383 253000028 /nfs/dbraw/zinc/00/00/28/253000028.db2.gz SXRRMGDTAVYBGK-WOJBJXKFSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722119 253000322 /nfs/dbraw/zinc/00/03/22/253000322.db2.gz VNYTXJXFPXHBTJ-GOEBONIOSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncs1 ZINC000336722119 253000325 /nfs/dbraw/zinc/00/03/25/253000325.db2.gz VNYTXJXFPXHBTJ-GOEBONIOSA-N 2 1 301.459 3.316 20 0 DGADMP C[C@@H](CC[N@@H+](C)CCC[NH+]1CCCC1)OCc1ccccc1 ZINC000337204133 253061399 /nfs/dbraw/zinc/06/13/99/253061399.db2.gz HIBYYHFHQDWOKE-SFHVURJKSA-N 2 1 304.478 3.400 20 0 DGADMP CC(C)n1nccc1CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209357 253062544 /nfs/dbraw/zinc/06/25/44/253062544.db2.gz RZWFATMELLZSCF-HZPDHXFCSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337209357 253062546 /nfs/dbraw/zinc/06/25/46/253062546.db2.gz RZWFATMELLZSCF-HZPDHXFCSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209357 253062549 /nfs/dbraw/zinc/06/25/49/253062549.db2.gz RZWFATMELLZSCF-HZPDHXFCSA-N 2 1 304.482 3.207 20 0 DGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000337413938 253111415 /nfs/dbraw/zinc/11/14/15/253111415.db2.gz YKIXSMYLGHFEBH-MRXNPFEDSA-N 2 1 322.493 3.263 20 0 DGADMP COc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1F ZINC000337567915 253140879 /nfs/dbraw/zinc/14/08/79/253140879.db2.gz ZLWLCBZESAOZHN-GOTCIRLWSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1F ZINC000337567915 253140882 /nfs/dbraw/zinc/14/08/82/253140882.db2.gz ZLWLCBZESAOZHN-GOTCIRLWSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCCC(C)C ZINC000337764708 253171395 /nfs/dbraw/zinc/17/13/95/253171395.db2.gz RQFNNVXFDNTPAU-IBGZPJMESA-N 2 1 320.477 3.291 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCCC(C)C ZINC000337764708 253171397 /nfs/dbraw/zinc/17/13/97/253171397.db2.gz RQFNNVXFDNTPAU-IBGZPJMESA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000338032280 253213170 /nfs/dbraw/zinc/21/31/70/253213170.db2.gz VGVZBFRVIHWRMS-ZBFHGGJFSA-N 2 1 312.404 3.258 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000338032280 253213172 /nfs/dbraw/zinc/21/31/72/253213172.db2.gz VGVZBFRVIHWRMS-ZBFHGGJFSA-N 2 1 312.404 3.258 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000338006168 253208752 /nfs/dbraw/zinc/20/87/52/253208752.db2.gz ZLQQNKJQSHXMGE-ZDUSSCGKSA-N 2 1 307.388 3.471 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196935 253240866 /nfs/dbraw/zinc/24/08/66/253240866.db2.gz OCIACCTVYYBGBI-YLJYHZDGSA-N 2 1 324.472 3.082 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196935 253240867 /nfs/dbraw/zinc/24/08/67/253240867.db2.gz OCIACCTVYYBGBI-YLJYHZDGSA-N 2 1 324.472 3.082 20 0 DGADMP C[C@H]([NH2+]CCCO[C@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338294246 253259426 /nfs/dbraw/zinc/25/94/26/253259426.db2.gz XWBPJFRKRLYXBV-SCTDSRPQSA-N 2 1 324.509 3.162 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301405 253260760 /nfs/dbraw/zinc/26/07/60/253260760.db2.gz BHGAFCNDVFRKSI-GOEBONIOSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301405 253260763 /nfs/dbraw/zinc/26/07/63/253260763.db2.gz BHGAFCNDVFRKSI-GOEBONIOSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301405 253260764 /nfs/dbraw/zinc/26/07/64/253260764.db2.gz BHGAFCNDVFRKSI-GOEBONIOSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)ccc(O)c2n1 ZINC000338301405 253260767 /nfs/dbraw/zinc/26/07/67/253260767.db2.gz BHGAFCNDVFRKSI-GOEBONIOSA-N 2 1 313.445 3.163 20 0 DGADMP CC[N@@H+](Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000414719241 285106811 /nfs/dbraw/zinc/10/68/11/285106811.db2.gz UNDHEWARLMWGHW-QGZVFWFLSA-N 2 1 302.462 3.364 20 0 DGADMP CCOC(=O)C1CCC([N@H+](CC)CCCn2cc[nH+]c2C)CC1 ZINC000338379014 253277298 /nfs/dbraw/zinc/27/72/98/253277298.db2.gz LYCYUPAMCCRSMT-UHFFFAOYSA-N 2 1 321.465 3.025 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](CC)CCCn2cc[nH+]c2C)CC1 ZINC000338379014 253277300 /nfs/dbraw/zinc/27/73/00/253277300.db2.gz LYCYUPAMCCRSMT-UHFFFAOYSA-N 2 1 321.465 3.025 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327177 253266191 /nfs/dbraw/zinc/26/61/91/253266191.db2.gz LSODAXMHESFICX-GOSISDBHSA-N 2 1 304.478 3.303 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327177 253266193 /nfs/dbraw/zinc/26/61/93/253266193.db2.gz LSODAXMHESFICX-GOSISDBHSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000253355826 285108674 /nfs/dbraw/zinc/10/86/74/285108674.db2.gz UUTDPNTYXPLPNX-RBUKOAKNSA-N 2 1 307.526 3.057 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000158886905 197308227 /nfs/dbraw/zinc/30/82/27/197308227.db2.gz WCVYYDTZRLJXIG-DAYGRLMNSA-N 2 1 317.477 3.244 20 0 DGADMP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000158067171 197241215 /nfs/dbraw/zinc/24/12/15/197241215.db2.gz RGRKYSXTRJSTFW-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000158067171 197241217 /nfs/dbraw/zinc/24/12/17/197241217.db2.gz RGRKYSXTRJSTFW-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000158067171 197241218 /nfs/dbraw/zinc/24/12/18/197241218.db2.gz RGRKYSXTRJSTFW-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000158067171 197241220 /nfs/dbraw/zinc/24/12/20/197241220.db2.gz RGRKYSXTRJSTFW-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000342608191 254017782 /nfs/dbraw/zinc/01/77/82/254017782.db2.gz VFMOUHPGFOTCAX-MRXNPFEDSA-N 2 1 301.459 3.306 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000342608191 254017784 /nfs/dbraw/zinc/01/77/84/254017784.db2.gz VFMOUHPGFOTCAX-MRXNPFEDSA-N 2 1 301.459 3.306 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC3(C)C)cc2)CC1 ZINC000342620877 254019964 /nfs/dbraw/zinc/01/99/64/254019964.db2.gz BCWFBRLIQCZIPO-IBGZPJMESA-N 2 1 315.505 3.102 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000342697403 254034037 /nfs/dbraw/zinc/03/40/37/254034037.db2.gz LEZFEXDDMUTPPX-QZTJIDSGSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000342697403 254034039 /nfs/dbraw/zinc/03/40/39/254034039.db2.gz LEZFEXDDMUTPPX-QZTJIDSGSA-N 2 1 304.478 3.474 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000342921818 254075510 /nfs/dbraw/zinc/07/55/10/254075510.db2.gz VHIPPALGVVCWBQ-GOSISDBHSA-N 2 1 304.478 3.236 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2ncc(C)n2C)CC1)CC1CC1 ZINC000342728262 254038452 /nfs/dbraw/zinc/03/84/52/254038452.db2.gz LYEJSFAVZCNUGE-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C)n2C)CC1)CC1CC1 ZINC000342728262 254038454 /nfs/dbraw/zinc/03/84/54/254038454.db2.gz LYEJSFAVZCNUGE-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCn2ccnc2C)CC1 ZINC000342860879 254066946 /nfs/dbraw/zinc/06/69/46/254066946.db2.gz SAIKEVFLFNSLTL-UHFFFAOYSA-N 2 1 306.498 3.026 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000342860879 254066948 /nfs/dbraw/zinc/06/69/48/254066948.db2.gz SAIKEVFLFNSLTL-UHFFFAOYSA-N 3 1 306.498 3.026 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000342860879 254066950 /nfs/dbraw/zinc/06/69/50/254066950.db2.gz SAIKEVFLFNSLTL-UHFFFAOYSA-N 3 1 306.498 3.026 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343609121 254167603 /nfs/dbraw/zinc/16/76/03/254167603.db2.gz WLHJTUVLDZFWHI-UHFFFAOYSA-N 2 1 312.461 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343609121 254167605 /nfs/dbraw/zinc/16/76/05/254167605.db2.gz WLHJTUVLDZFWHI-UHFFFAOYSA-N 2 1 312.461 3.303 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080326 254222612 /nfs/dbraw/zinc/22/26/12/254222612.db2.gz VACWWBILGNARLV-KZNAEPCWSA-N 2 1 306.494 3.188 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080326 254222613 /nfs/dbraw/zinc/22/26/13/254222613.db2.gz VACWWBILGNARLV-KZNAEPCWSA-N 2 1 306.494 3.188 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)c1 ZINC000157178662 197168615 /nfs/dbraw/zinc/16/86/15/197168615.db2.gz VGFXYXIBMZGOJF-LJQANCHMSA-N 2 1 324.472 3.323 20 0 DGADMP CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000344632292 254291293 /nfs/dbraw/zinc/29/12/93/254291293.db2.gz QHRDIRDWSQSFGV-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000344632292 254291295 /nfs/dbraw/zinc/29/12/95/254291295.db2.gz QHRDIRDWSQSFGV-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000344632292 254291296 /nfs/dbraw/zinc/29/12/96/254291296.db2.gz QHRDIRDWSQSFGV-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000344632292 254291298 /nfs/dbraw/zinc/29/12/98/254291298.db2.gz QHRDIRDWSQSFGV-WBVHZDCISA-N 2 1 320.477 3.446 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000157106508 197161774 /nfs/dbraw/zinc/16/17/74/197161774.db2.gz XDBPEXNUULKAOI-GDBMZVCRSA-N 2 1 305.466 3.079 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000157106508 197161776 /nfs/dbraw/zinc/16/17/76/197161776.db2.gz XDBPEXNUULKAOI-GDBMZVCRSA-N 2 1 305.466 3.079 20 0 DGADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000344370025 254263291 /nfs/dbraw/zinc/26/32/91/254263291.db2.gz MISLDFGMIVIFAP-ABSDTBQOSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H]1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)C1 ZINC000344521342 254279083 /nfs/dbraw/zinc/27/90/83/254279083.db2.gz GRLFQGLAWMCNEN-HLIPFELVSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)C1 ZINC000344521342 254279084 /nfs/dbraw/zinc/27/90/84/254279084.db2.gz GRLFQGLAWMCNEN-HLIPFELVSA-N 2 1 316.489 3.038 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000344798451 254306775 /nfs/dbraw/zinc/30/67/75/254306775.db2.gz CTMRQJKNCAIILW-MSOLQXFVSA-N 2 1 306.498 3.454 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000261817253 285192705 /nfs/dbraw/zinc/19/27/05/285192705.db2.gz ICMXEBHQDWIUKM-DOTOQJQBSA-N 2 1 310.445 3.019 20 0 DGADMP COc1cccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1OC ZINC000155216706 197032741 /nfs/dbraw/zinc/03/27/41/197032741.db2.gz MTVGPZFXDXWJFS-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154895023 197003729 /nfs/dbraw/zinc/00/37/29/197003729.db2.gz PWHJYYXRPSJYAZ-HXUWFJFHSA-N 2 1 316.489 3.017 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000154924161 197005867 /nfs/dbraw/zinc/00/58/67/197005867.db2.gz RCENBZDPWNZSSN-LJQANCHMSA-N 2 1 318.505 3.344 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000120781909 195237730 /nfs/dbraw/zinc/23/77/30/195237730.db2.gz LPNBUZWIAXBMRY-KRWDZBQOSA-N 2 1 314.473 3.420 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000313690697 285304551 /nfs/dbraw/zinc/30/45/51/285304551.db2.gz KZNYLPBNENQIJH-DOMZBBRYSA-N 2 1 311.267 3.187 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289544986 221055071 /nfs/dbraw/zinc/05/50/71/221055071.db2.gz IFCXETVALHZHTN-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289544986 221055073 /nfs/dbraw/zinc/05/50/73/221055073.db2.gz IFCXETVALHZHTN-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289544986 221055077 /nfs/dbraw/zinc/05/50/77/221055077.db2.gz IFCXETVALHZHTN-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289544986 221055079 /nfs/dbraw/zinc/05/50/79/221055079.db2.gz IFCXETVALHZHTN-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP CC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000289597671 221093371 /nfs/dbraw/zinc/09/33/71/221093371.db2.gz BJDUOWAHQIDXPK-OKYOBFRVSA-N 2 1 302.462 3.197 20 0 DGADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000289608482 221100122 /nfs/dbraw/zinc/10/01/22/221100122.db2.gz LCWBCSJMXTYCOC-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000289608482 221100124 /nfs/dbraw/zinc/10/01/24/221100124.db2.gz LCWBCSJMXTYCOC-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000289608482 221100126 /nfs/dbraw/zinc/10/01/26/221100126.db2.gz LCWBCSJMXTYCOC-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000289608482 221100128 /nfs/dbraw/zinc/10/01/28/221100128.db2.gz LCWBCSJMXTYCOC-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000289651825 221131685 /nfs/dbraw/zinc/13/16/85/221131685.db2.gz YJNISGWCCVQYBB-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289710023 221171117 /nfs/dbraw/zinc/17/11/17/221171117.db2.gz UGFCAFUMQAGUJC-GOSISDBHSA-N 2 1 312.461 3.110 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289710023 221171121 /nfs/dbraw/zinc/17/11/21/221171121.db2.gz UGFCAFUMQAGUJC-GOSISDBHSA-N 2 1 312.461 3.110 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000289815700 221243880 /nfs/dbraw/zinc/24/38/80/221243880.db2.gz JAMHORLKWNZKOJ-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000289815700 221243882 /nfs/dbraw/zinc/24/38/82/221243882.db2.gz JAMHORLKWNZKOJ-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000289815700 221243887 /nfs/dbraw/zinc/24/38/87/221243887.db2.gz JAMHORLKWNZKOJ-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000289815700 221243888 /nfs/dbraw/zinc/24/38/88/221243888.db2.gz JAMHORLKWNZKOJ-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858801 221275013 /nfs/dbraw/zinc/27/50/13/221275013.db2.gz RLRRKBMMRPSSPG-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858801 221275015 /nfs/dbraw/zinc/27/50/15/221275015.db2.gz RLRRKBMMRPSSPG-SUMWQHHRSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000289899290 221300505 /nfs/dbraw/zinc/30/05/05/221300505.db2.gz NIXUYMTWXWHPLK-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000289899290 221300507 /nfs/dbraw/zinc/30/05/07/221300507.db2.gz NIXUYMTWXWHPLK-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000289899290 221300510 /nfs/dbraw/zinc/30/05/10/221300510.db2.gz NIXUYMTWXWHPLK-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000289899290 221300513 /nfs/dbraw/zinc/30/05/13/221300513.db2.gz NIXUYMTWXWHPLK-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000295039753 224397290 /nfs/dbraw/zinc/39/72/90/224397290.db2.gz MMUJZNOCJIYIGJ-UONOGXRCSA-N 2 1 301.434 3.381 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535506 285353845 /nfs/dbraw/zinc/35/38/45/285353845.db2.gz RMXRZPZUICZKNV-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535506 285353848 /nfs/dbraw/zinc/35/38/48/285353848.db2.gz RMXRZPZUICZKNV-IBGZPJMESA-N 2 1 302.462 3.297 20 0 DGADMP O[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000341740788 285356528 /nfs/dbraw/zinc/35/65/28/285356528.db2.gz IDUKCVQXEHKLER-MSOLQXFVSA-N 2 1 322.880 3.228 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(CO)c1 ZINC000121047031 195287119 /nfs/dbraw/zinc/28/71/19/195287119.db2.gz QQVIVRCFSOSMQI-QGZVFWFLSA-N 2 1 312.457 3.352 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000121587757 195311276 /nfs/dbraw/zinc/31/12/76/195311276.db2.gz IBQOHEVLCXUUQO-CVEARBPZSA-N 2 1 317.477 3.418 20 0 DGADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422973498 285395164 /nfs/dbraw/zinc/39/51/64/285395164.db2.gz BZBZAAJEJYIZOR-AYOQOUSVSA-N 2 1 308.425 3.462 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000415040143 533354282 /nfs/dbraw/zinc/35/42/82/533354282.db2.gz KBQZPIKDVUPGLP-KBXCAEBGSA-N 2 1 314.429 3.405 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000293047320 533402381 /nfs/dbraw/zinc/40/23/81/533402381.db2.gz SWBWBFHLKIHJJV-GDBMZVCRSA-N 2 1 316.424 3.146 20 0 DGADMP COc1cccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1OC ZINC000422725728 533516157 /nfs/dbraw/zinc/51/61/57/533516157.db2.gz YPBQKPBREHTOEE-GDBMZVCRSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@@H](CCCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000296587755 533561485 /nfs/dbraw/zinc/56/14/85/533561485.db2.gz UUPIOFDIJODWJQ-FFGOWVMKSA-N 2 1 316.489 3.180 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000415122930 533567859 /nfs/dbraw/zinc/56/78/59/533567859.db2.gz IXWNWPVRXPOKFX-DOTOQJQBSA-N 2 1 320.477 3.147 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(OC(F)F)cc1C ZINC000442916782 533605507 /nfs/dbraw/zinc/60/55/07/533605507.db2.gz AMTADVNZMIXJMD-CQSZACIVSA-N 2 1 312.404 3.466 20 0 DGADMP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000278327920 292033161 /nfs/dbraw/zinc/03/31/61/292033161.db2.gz VUVXAVMREXMFNL-HUUCEWRRSA-N 2 1 322.449 3.229 20 0 DGADMP COC1(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000338943223 292107396 /nfs/dbraw/zinc/10/73/96/292107396.db2.gz WBNNRIZNUCGWSQ-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975135 400085562 /nfs/dbraw/zinc/08/55/62/400085562.db2.gz CFNXDWHKCALNTH-RNONSGAXSA-N 2 1 324.509 3.205 20 0 DGADMP C[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@@H](C)S1 ZINC000608565821 400087190 /nfs/dbraw/zinc/08/71/90/400087190.db2.gz YRBLWFGOPDPUEO-LWHLLYOBSA-N 2 1 314.564 3.194 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067507211 400175068 /nfs/dbraw/zinc/17/50/68/400175068.db2.gz IKOSVQVFJFEHJR-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067507211 400175074 /nfs/dbraw/zinc/17/50/74/400175074.db2.gz IKOSVQVFJFEHJR-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000325743892 400181648 /nfs/dbraw/zinc/18/16/48/400181648.db2.gz CYBJEPRXSDFPEL-INIZCTEOSA-N 2 1 324.468 3.404 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043619 400149353 /nfs/dbraw/zinc/14/93/53/400149353.db2.gz MVEWBLDMRXCSIB-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043619 400149357 /nfs/dbraw/zinc/14/93/57/400149357.db2.gz MVEWBLDMRXCSIB-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043619 400149363 /nfs/dbraw/zinc/14/93/63/400149363.db2.gz MVEWBLDMRXCSIB-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(C4CCC4)s3)CC[C@@H]21 ZINC000092043619 400149367 /nfs/dbraw/zinc/14/93/67/400149367.db2.gz MVEWBLDMRXCSIB-HOCLYGCPSA-N 2 1 305.491 3.327 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)n1-c1ccccc1 ZINC000321554025 400171407 /nfs/dbraw/zinc/17/14/07/400171407.db2.gz HFAGKLOKYQVQBU-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)n1-c1ccccc1 ZINC000321554025 400171415 /nfs/dbraw/zinc/17/14/15/400171415.db2.gz HFAGKLOKYQVQBU-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000093104959 400226096 /nfs/dbraw/zinc/22/60/96/400226096.db2.gz HDEBCCMRQXZGLQ-UHFFFAOYSA-N 2 1 315.505 3.069 20 0 DGADMP CC[N@H+](Cc1ccn(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818765 400256778 /nfs/dbraw/zinc/25/67/78/400256778.db2.gz XGTHSVZZWXRJLG-HXUWFJFHSA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1ccn(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818765 400256782 /nfs/dbraw/zinc/25/67/82/400256782.db2.gz XGTHSVZZWXRJLG-HXUWFJFHSA-N 2 1 311.473 3.369 20 0 DGADMP CC[NH+](Cc1ccn(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818765 400256783 /nfs/dbraw/zinc/25/67/83/400256783.db2.gz XGTHSVZZWXRJLG-HXUWFJFHSA-N 2 1 311.473 3.369 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742289 400253640 /nfs/dbraw/zinc/25/36/40/400253640.db2.gz WCVGLUVOIDYWNH-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742289 400253643 /nfs/dbraw/zinc/25/36/43/400253643.db2.gz WCVGLUVOIDYWNH-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742289 400253648 /nfs/dbraw/zinc/25/36/48/400253648.db2.gz WCVGLUVOIDYWNH-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742289 400253654 /nfs/dbraw/zinc/25/36/54/400253654.db2.gz WCVGLUVOIDYWNH-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc3ccccc23)CC1 ZINC000105476597 400322293 /nfs/dbraw/zinc/32/22/93/400322293.db2.gz OMELZZOQXWHUCJ-UHFFFAOYSA-N 2 1 317.502 3.019 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)[C@H](C)C1 ZINC000596118274 400322319 /nfs/dbraw/zinc/32/23/19/400322319.db2.gz VBMHVNQQYIOURR-OIISXLGYSA-N 2 1 324.509 3.064 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641089 400314626 /nfs/dbraw/zinc/31/46/26/400314626.db2.gz DQTJXMFFEVVFSI-MRXNPFEDSA-N 2 1 314.477 3.175 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641607 400314717 /nfs/dbraw/zinc/31/47/17/400314717.db2.gz PUFNDWFBQKXJPH-GASCZTMLSA-N 2 1 300.450 3.021 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641607 400314719 /nfs/dbraw/zinc/31/47/19/400314719.db2.gz PUFNDWFBQKXJPH-GASCZTMLSA-N 2 1 300.450 3.021 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641608 400314773 /nfs/dbraw/zinc/31/47/73/400314773.db2.gz PUFNDWFBQKXJPH-GJZGRUSLSA-N 2 1 300.450 3.021 20 0 DGADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596093726 400314981 /nfs/dbraw/zinc/31/49/81/400314981.db2.gz FNOCCZGVZSIWGK-WBVHZDCISA-N 2 1 324.509 3.066 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000069754365 400341778 /nfs/dbraw/zinc/34/17/78/400341778.db2.gz JFKLHXIDSUSBRL-UHFFFAOYSA-N 2 1 313.323 3.270 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000611497884 400411092 /nfs/dbraw/zinc/41/10/92/400411092.db2.gz LHMXJRUSEFPVGO-MRXNPFEDSA-N 2 1 318.461 3.073 20 0 DGADMP COc1ccccc1OCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786249 400434476 /nfs/dbraw/zinc/43/44/76/400434476.db2.gz JVUVSFXIKMXMMC-UHFFFAOYSA-N 2 1 320.477 3.126 20 0 DGADMP CCS[C@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597017563 400540391 /nfs/dbraw/zinc/54/03/91/400540391.db2.gz WBNQGMOVPCWYLU-KRWDZBQOSA-N 2 1 316.474 3.375 20 0 DGADMP CCS[C@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597017563 400540395 /nfs/dbraw/zinc/54/03/95/400540395.db2.gz WBNQGMOVPCWYLU-KRWDZBQOSA-N 2 1 316.474 3.375 20 0 DGADMP c1cc2c(nc[nH+]c2NCC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000141141831 400623229 /nfs/dbraw/zinc/62/32/29/400623229.db2.gz DHONSIZTSFPHJL-UHFFFAOYSA-N 2 1 321.428 3.282 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000603110027 400642955 /nfs/dbraw/zinc/64/29/55/400642955.db2.gz KANNQTGAZIVSGK-UHFFFAOYSA-N 2 1 324.490 3.233 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161764662 400741374 /nfs/dbraw/zinc/74/13/74/400741374.db2.gz RGVPNBQXBISDIL-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000161764662 400741379 /nfs/dbraw/zinc/74/13/79/400741379.db2.gz RGVPNBQXBISDIL-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP Fc1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157162802 400714923 /nfs/dbraw/zinc/71/49/23/400714923.db2.gz JUZDZCJXPWUODA-KRWDZBQOSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157162802 400714926 /nfs/dbraw/zinc/71/49/26/400714926.db2.gz JUZDZCJXPWUODA-KRWDZBQOSA-N 2 1 306.425 3.155 20 0 DGADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157493542 400716857 /nfs/dbraw/zinc/71/68/57/400716857.db2.gz ILNUYMMNLKHUQE-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157493542 400716868 /nfs/dbraw/zinc/71/68/68/400716868.db2.gz ILNUYMMNLKHUQE-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000604389763 400772022 /nfs/dbraw/zinc/77/20/22/400772022.db2.gz UAVLIRQTYNPDND-OAQYLSRUSA-N 2 1 323.484 3.052 20 0 DGADMP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000079021325 400841549 /nfs/dbraw/zinc/84/15/49/400841549.db2.gz XEMZMOPVGOIMEN-CQSZACIVSA-N 2 1 302.447 3.404 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468947 400918250 /nfs/dbraw/zinc/91/82/50/400918250.db2.gz PFOBGZYLGYRHTB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468947 400918252 /nfs/dbraw/zinc/91/82/52/400918252.db2.gz PFOBGZYLGYRHTB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606468947 400918254 /nfs/dbraw/zinc/91/82/54/400918254.db2.gz PFOBGZYLGYRHTB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606468947 400918255 /nfs/dbraw/zinc/91/82/55/400918255.db2.gz PFOBGZYLGYRHTB-IHPCNDPISA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC1(C)C ZINC000598987738 400920536 /nfs/dbraw/zinc/92/05/36/400920536.db2.gz MHAHBYGQMUVSEH-JKSUJKDBSA-N 2 1 324.509 3.207 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000598994428 400923279 /nfs/dbraw/zinc/92/32/79/400923279.db2.gz MPVGDNILIBFMPU-OKZBNKHCSA-N 2 1 324.509 3.210 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CO2 ZINC000629652802 401018664 /nfs/dbraw/zinc/01/86/64/401018664.db2.gz CWEYFMQUEUJWGD-RTBURBONSA-N 2 1 312.457 3.174 20 0 DGADMP CC[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935879 400986578 /nfs/dbraw/zinc/98/65/78/400986578.db2.gz CDKRJWQWKZKVGO-RBUKOAKNSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935879 400986588 /nfs/dbraw/zinc/98/65/88/400986588.db2.gz CDKRJWQWKZKVGO-RBUKOAKNSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606935879 400986598 /nfs/dbraw/zinc/98/65/98/400986598.db2.gz CDKRJWQWKZKVGO-RBUKOAKNSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606935879 400986609 /nfs/dbraw/zinc/98/66/09/400986609.db2.gz CDKRJWQWKZKVGO-RBUKOAKNSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935880 400987130 /nfs/dbraw/zinc/98/71/30/400987130.db2.gz CDKRJWQWKZKVGO-RTBURBONSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606935880 400987135 /nfs/dbraw/zinc/98/71/35/400987135.db2.gz CDKRJWQWKZKVGO-RTBURBONSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606935880 400987142 /nfs/dbraw/zinc/98/71/42/400987142.db2.gz CDKRJWQWKZKVGO-RTBURBONSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606935880 400987146 /nfs/dbraw/zinc/98/71/46/400987146.db2.gz CDKRJWQWKZKVGO-RTBURBONSA-N 2 1 304.478 3.134 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@H]1C(F)(F)F ZINC000629653313 401020018 /nfs/dbraw/zinc/02/00/18/401020018.db2.gz DUWBRPKYVPZNSW-LSDHHAIUSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1C(F)(F)F ZINC000629653313 401020028 /nfs/dbraw/zinc/02/00/28/401020028.db2.gz DUWBRPKYVPZNSW-LSDHHAIUSA-N 2 1 323.362 3.194 20 0 DGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000599301868 401017247 /nfs/dbraw/zinc/01/72/47/401017247.db2.gz DBAMIQPTMBGASY-RTBURBONSA-N 2 1 309.542 3.303 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564831 400980142 /nfs/dbraw/zinc/98/01/42/400980142.db2.gz UNZDFHZEBOGJDV-JKSUJKDBSA-N 2 1 314.395 3.387 20 0 DGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@H]([NH3+])CO)cc2)cc1 ZINC000629702965 401048691 /nfs/dbraw/zinc/04/86/91/401048691.db2.gz YEQWKGBMWLSMOI-FOIQADDNSA-N 2 1 310.441 3.330 20 0 DGADMP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc4c(c3)CCC4=O)c2)CC1 ZINC000629704703 401050069 /nfs/dbraw/zinc/05/00/69/401050069.db2.gz IAXSCHQMWVWTQU-UHFFFAOYSA-N 2 1 320.436 3.406 20 0 DGADMP Cc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000057924367 401037689 /nfs/dbraw/zinc/03/76/89/401037689.db2.gz KQWFDOBCBYWWCS-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000057924367 401037697 /nfs/dbraw/zinc/03/76/97/401037697.db2.gz KQWFDOBCBYWWCS-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Clc1ccc2c(ccn2CC[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000625435766 401126908 /nfs/dbraw/zinc/12/69/08/401126908.db2.gz VLJPBWFMHQCOHU-UHFFFAOYSA-N 2 1 300.793 3.076 20 0 DGADMP Clc1ccc2c(ccn2CCN2CCc3nc[nH]c3C2)c1 ZINC000625435766 401126915 /nfs/dbraw/zinc/12/69/15/401126915.db2.gz VLJPBWFMHQCOHU-UHFFFAOYSA-N 2 1 300.793 3.076 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)n1 ZINC000358244557 286009484 /nfs/dbraw/zinc/00/94/84/286009484.db2.gz YYJAQUWQZBVEQL-HDMKZQKVSA-N 2 1 306.498 3.200 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)n1 ZINC000358244557 286009485 /nfs/dbraw/zinc/00/94/85/286009485.db2.gz YYJAQUWQZBVEQL-HDMKZQKVSA-N 2 1 306.498 3.200 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)n1 ZINC000358244558 286009489 /nfs/dbraw/zinc/00/94/89/286009489.db2.gz YYJAQUWQZBVEQL-IIDMSEBBSA-N 2 1 306.498 3.200 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)n1 ZINC000358244558 286009490 /nfs/dbraw/zinc/00/94/90/286009490.db2.gz YYJAQUWQZBVEQL-IIDMSEBBSA-N 2 1 306.498 3.200 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253167 286011621 /nfs/dbraw/zinc/01/16/21/286011621.db2.gz NNYWZVPXAZILHW-OXQOHEQNSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253167 286011624 /nfs/dbraw/zinc/01/16/24/286011624.db2.gz NNYWZVPXAZILHW-OXQOHEQNSA-N 2 1 310.441 3.071 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000608061507 401179005 /nfs/dbraw/zinc/17/90/05/401179005.db2.gz XACUMESMRVNOKG-VYDXJSESSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000608061507 401179007 /nfs/dbraw/zinc/17/90/07/401179007.db2.gz XACUMESMRVNOKG-VYDXJSESSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000608061508 401179587 /nfs/dbraw/zinc/17/95/87/401179587.db2.gz XACUMESMRVNOKG-YQQAZPJKSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000608061508 401179591 /nfs/dbraw/zinc/17/95/91/401179591.db2.gz XACUMESMRVNOKG-YQQAZPJKSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000608061505 401179656 /nfs/dbraw/zinc/17/96/56/401179656.db2.gz XACUMESMRVNOKG-HLLBOEOZSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000608061505 401179662 /nfs/dbraw/zinc/17/96/62/401179662.db2.gz XACUMESMRVNOKG-HLLBOEOZSA-N 2 1 320.477 3.445 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317609 286029887 /nfs/dbraw/zinc/02/98/87/286029887.db2.gz KYGANIHLFBSNRQ-UHOFOFEASA-N 2 1 306.425 3.358 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000358317609 286029889 /nfs/dbraw/zinc/02/98/89/286029889.db2.gz KYGANIHLFBSNRQ-UHOFOFEASA-N 2 1 306.425 3.358 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncc(OCC)c2)CC1 ZINC000621711087 401279579 /nfs/dbraw/zinc/27/95/79/401279579.db2.gz DPGRUPHPIUBPPE-UHFFFAOYSA-N 2 1 319.493 3.424 20 0 DGADMP c1cnc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc2n1 ZINC000634967194 401391043 /nfs/dbraw/zinc/39/10/43/401391043.db2.gz INNPUIHVCQOENH-UHFFFAOYSA-N 2 1 310.445 3.126 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2nccnc2c1)C(C)C ZINC000634966829 401391396 /nfs/dbraw/zinc/39/13/96/401391396.db2.gz ZPHUAPVMAUVZAW-UHFFFAOYSA-N 2 1 300.450 3.228 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)[C@@H]1CC[NH3+] ZINC000634996676 401397912 /nfs/dbraw/zinc/39/79/12/401397912.db2.gz QMNTZJOOUVKVFV-FOIQADDNSA-N 2 1 324.472 3.280 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635003514 401399345 /nfs/dbraw/zinc/39/93/45/401399345.db2.gz DMYFITZHWLDCFF-ZULIPRJHSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635003514 401399348 /nfs/dbraw/zinc/39/93/48/401399348.db2.gz DMYFITZHWLDCFF-ZULIPRJHSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000631197153 401423472 /nfs/dbraw/zinc/42/34/72/401423472.db2.gz XUNZIHMQPIDKFO-BPQIPLTHSA-N 2 1 304.503 3.097 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631199823 401424633 /nfs/dbraw/zinc/42/46/33/401424633.db2.gz RPXYQNJNCCOMAC-QXAKKESOSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631199823 401424636 /nfs/dbraw/zinc/42/46/36/401424636.db2.gz RPXYQNJNCCOMAC-QXAKKESOSA-N 2 1 304.478 3.180 20 0 DGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000623356405 401498989 /nfs/dbraw/zinc/49/89/89/401498989.db2.gz NRMPVLBYMLMGKE-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000623356405 401498991 /nfs/dbraw/zinc/49/89/91/401498991.db2.gz NRMPVLBYMLMGKE-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000623361344 401500434 /nfs/dbraw/zinc/50/04/34/401500434.db2.gz YJWPLUVUTSTGGE-NEPJUHHUSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000623361344 401500438 /nfs/dbraw/zinc/50/04/38/401500438.db2.gz YJWPLUVUTSTGGE-NEPJUHHUSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000623361345 401500917 /nfs/dbraw/zinc/50/09/17/401500917.db2.gz YJWPLUVUTSTGGE-NWDGAFQWSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000623361345 401500919 /nfs/dbraw/zinc/50/09/19/401500919.db2.gz YJWPLUVUTSTGGE-NWDGAFQWSA-N 2 1 304.381 3.483 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631578607 401503950 /nfs/dbraw/zinc/50/39/50/401503950.db2.gz XHVWUIPWFWDOIS-OWSLCNJRSA-N 2 1 306.494 3.044 20 0 DGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[N@H+](C)CC(C)(C)C)ccc21 ZINC000635996075 401514179 /nfs/dbraw/zinc/51/41/79/401514179.db2.gz AQFPGCVBYLVODZ-QGZVFWFLSA-N 2 1 317.477 3.152 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000631662270 401528225 /nfs/dbraw/zinc/52/82/25/401528225.db2.gz DGWOCHXEYFMNGL-NEWSRXKRSA-N 2 1 304.478 3.015 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OCC ZINC000623655853 401562233 /nfs/dbraw/zinc/56/22/33/401562233.db2.gz HLJWBVJCGIQZBT-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000623655788 401562415 /nfs/dbraw/zinc/56/24/15/401562415.db2.gz FFJCNSZWZOICDV-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000623655788 401562418 /nfs/dbraw/zinc/56/24/18/401562418.db2.gz FFJCNSZWZOICDV-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000631826500 401559358 /nfs/dbraw/zinc/55/93/58/401559358.db2.gz OWPOCFWPOUOGSQ-QZTJIDSGSA-N 2 1 301.478 3.218 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cccc2c1CCOC2)CC1CCCC1 ZINC000631825994 401559482 /nfs/dbraw/zinc/55/94/82/401559482.db2.gz ACSPGWWQXJAFHU-UHFFFAOYSA-N 2 1 302.462 3.100 20 0 DGADMP C[C@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000631841340 401560615 /nfs/dbraw/zinc/56/06/15/401560615.db2.gz JEXKNGWJURYKMW-WCQYABFASA-N 2 1 305.809 3.022 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000631841340 401560617 /nfs/dbraw/zinc/56/06/17/401560617.db2.gz JEXKNGWJURYKMW-WCQYABFASA-N 2 1 305.809 3.022 20 0 DGADMP CO[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000624300292 401647794 /nfs/dbraw/zinc/64/77/94/401647794.db2.gz BVKPOJQEKXKWOM-ASUHFHQRSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119467 401628062 /nfs/dbraw/zinc/62/80/62/401628062.db2.gz BTJVIHVVYSJTRW-WBVHZDCISA-N 2 1 318.461 3.058 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121134 401628499 /nfs/dbraw/zinc/62/84/99/401628499.db2.gz OSXBNYKQVPWLAA-HKUYNNGSSA-N 2 1 322.468 3.095 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000624119602 401628645 /nfs/dbraw/zinc/62/86/45/401628645.db2.gz FVOAHIDEWFBQRH-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122936 401628949 /nfs/dbraw/zinc/62/89/49/401628949.db2.gz BHMJPBZZJIIURY-FZMZJTMJSA-N 2 1 312.379 3.413 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCCO2 ZINC000624121973 401629131 /nfs/dbraw/zinc/62/91/31/401629131.db2.gz HEMVEUKKOCSSBY-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624121973 401629132 /nfs/dbraw/zinc/62/91/32/401629132.db2.gz HEMVEUKKOCSSBY-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121442 401629179 /nfs/dbraw/zinc/62/91/79/401629179.db2.gz WMNYJPGUNSLITP-IRXDYDNUSA-N 2 1 320.477 3.094 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122533 401629422 /nfs/dbraw/zinc/62/94/22/401629422.db2.gz UCWKQLGHSHLGJY-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122533 401629423 /nfs/dbraw/zinc/62/94/23/401629423.db2.gz UCWKQLGHSHLGJY-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000624122533 401629424 /nfs/dbraw/zinc/62/94/24/401629424.db2.gz UCWKQLGHSHLGJY-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000624300479 401647955 /nfs/dbraw/zinc/64/79/55/401647955.db2.gz IHVIHRXEWIZWKP-WKWVNEEDSA-N 2 1 314.473 3.197 20 0 DGADMP Clc1cccc(OCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507748 286080477 /nfs/dbraw/zinc/08/04/77/286080477.db2.gz LFIRGKJJCJEZDU-UHFFFAOYSA-N 2 1 308.853 3.184 20 0 DGADMP c1ccc2c(c1)cccc2OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358509800 286080943 /nfs/dbraw/zinc/08/09/43/286080943.db2.gz QXHYAXRIBUOHTL-UHFFFAOYSA-N 2 1 310.441 3.294 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C[NH2+]1 ZINC000629397092 401683998 /nfs/dbraw/zinc/68/39/98/401683998.db2.gz SKGYYXVSHMAAPL-HFBAOOFYSA-N 2 1 323.278 3.037 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670780 286120304 /nfs/dbraw/zinc/12/03/04/286120304.db2.gz WZKAEFZIQITKGE-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP COCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670780 286120306 /nfs/dbraw/zinc/12/03/06/286120306.db2.gz WZKAEFZIQITKGE-HKUYNNGSSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@@H+]1C ZINC000358671405 286120672 /nfs/dbraw/zinc/12/06/72/286120672.db2.gz XTTMAAZUUUEQKH-BBRMVZONSA-N 2 1 323.431 3.006 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC000358671405 286120676 /nfs/dbraw/zinc/12/06/76/286120676.db2.gz XTTMAAZUUUEQKH-BBRMVZONSA-N 2 1 323.431 3.006 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358672183 286121091 /nfs/dbraw/zinc/12/10/91/286121091.db2.gz DPVJXSMWJQFMDK-SJLPKXTDSA-N 2 1 304.478 3.180 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358672183 286121092 /nfs/dbraw/zinc/12/10/92/286121092.db2.gz DPVJXSMWJQFMDK-SJLPKXTDSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720733 286132791 /nfs/dbraw/zinc/13/27/91/286132791.db2.gz VQGQZPAJXXFPLC-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358720733 286132795 /nfs/dbraw/zinc/13/27/95/286132795.db2.gz VQGQZPAJXXFPLC-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359212824 286261876 /nfs/dbraw/zinc/26/18/76/286261876.db2.gz NNQSMLMZCKEVQP-LJQANCHMSA-N 2 1 301.478 3.279 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000268881343 292246500 /nfs/dbraw/zinc/24/65/00/292246500.db2.gz HVXDMSRCVBZCAY-ROUUACIJSA-N 2 1 304.478 3.191 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359222661 286263969 /nfs/dbraw/zinc/26/39/69/286263969.db2.gz QARPZDZHYZFVDM-GOSISDBHSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1ccc([C@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359225422 286264670 /nfs/dbraw/zinc/26/46/70/286264670.db2.gz TXUAGWBDUBFXJL-GOSISDBHSA-N 2 1 304.503 3.475 20 0 DGADMP Cc1ccc([C@@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359225423 286264711 /nfs/dbraw/zinc/26/47/11/286264711.db2.gz TXUAGWBDUBFXJL-SFHVURJKSA-N 2 1 304.503 3.475 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1OC ZINC000359225429 286264713 /nfs/dbraw/zinc/26/47/13/286264713.db2.gz UAKLFDHYMRYEKI-QGZVFWFLSA-N 2 1 318.461 3.230 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321576 286283537 /nfs/dbraw/zinc/28/35/37/286283537.db2.gz LAJDLMCJTHIYBY-MRRJBJDNSA-N 2 1 317.433 3.303 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321576 286283540 /nfs/dbraw/zinc/28/35/40/286283540.db2.gz LAJDLMCJTHIYBY-MRRJBJDNSA-N 2 1 317.433 3.303 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422836077 292256165 /nfs/dbraw/zinc/25/61/65/292256165.db2.gz ZNYWUVBYNGPMAQ-AABGKKOBSA-N 2 1 315.505 3.239 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)n1 ZINC000359735496 286370537 /nfs/dbraw/zinc/37/05/37/286370537.db2.gz MEUVPITYJJSTAY-RDJZCZTQSA-N 2 1 305.466 3.080 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000359925243 286389549 /nfs/dbraw/zinc/38/95/49/286389549.db2.gz LISLCNFYSYFDGG-GVDBMIGSSA-N 2 1 304.478 3.432 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000359925244 286389566 /nfs/dbraw/zinc/38/95/66/286389566.db2.gz LISLCNFYSYFDGG-IXDOHACOSA-N 2 1 304.478 3.432 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)n1 ZINC000359941248 286393321 /nfs/dbraw/zinc/39/33/21/286393321.db2.gz JYKYBHRCJPHSHB-CABCVRRESA-N 2 1 304.482 3.256 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000359935474 286391898 /nfs/dbraw/zinc/39/18/98/286391898.db2.gz POJCEFMVACCJCV-GVDBMIGSSA-N 2 1 304.478 3.432 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CC3 ZINC000491034420 292299991 /nfs/dbraw/zinc/29/99/91/292299991.db2.gz SJAXWDYIUBYANO-DAYGRLMNSA-N 2 1 311.473 3.263 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CC3 ZINC000491034420 292299995 /nfs/dbraw/zinc/29/99/95/292299995.db2.gz SJAXWDYIUBYANO-DAYGRLMNSA-N 2 1 311.473 3.263 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000360976427 286567203 /nfs/dbraw/zinc/56/72/03/286567203.db2.gz YHAMSWPPXINLLP-HOTGVXAUSA-N 2 1 306.498 3.230 20 0 DGADMP COC1(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCCCC1 ZINC000361558305 286689429 /nfs/dbraw/zinc/68/94/29/286689429.db2.gz WGIAXTKUXFMVDI-UHFFFAOYSA-N 2 1 305.466 3.024 20 0 DGADMP C[C@H]([NH2+]CCCOCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365013647 287087086 /nfs/dbraw/zinc/08/70/86/287087086.db2.gz GWJDZFFZHQNNEO-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP Fc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000189018581 165146897 /nfs/dbraw/zinc/14/68/97/165146897.db2.gz CYCVHVLWCPOIJM-HNNXBMFYSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000189018581 165146899 /nfs/dbraw/zinc/14/68/99/165146899.db2.gz CYCVHVLWCPOIJM-HNNXBMFYSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000189018581 165146905 /nfs/dbraw/zinc/14/69/05/165146905.db2.gz CYCVHVLWCPOIJM-HNNXBMFYSA-N 2 1 319.449 3.284 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190999546 165224180 /nfs/dbraw/zinc/22/41/80/165224180.db2.gz JINMXHZSMDWBJJ-KRWDZBQOSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190999546 165224182 /nfs/dbraw/zinc/22/41/82/165224182.db2.gz JINMXHZSMDWBJJ-KRWDZBQOSA-N 2 1 305.466 3.395 20 0 DGADMP C[N@H+](Cc1ccc(OCC2CC2)cc1)CC1CC[NH+](C)CC1 ZINC000191323444 165244587 /nfs/dbraw/zinc/24/45/87/165244587.db2.gz GQEBZXZWZRAVFD-UHFFFAOYSA-N 2 1 302.462 3.249 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192932126 165310944 /nfs/dbraw/zinc/31/09/44/165310944.db2.gz NNDMFNPFVBYMNI-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(C)c1 ZINC000193014744 165314596 /nfs/dbraw/zinc/31/45/96/165314596.db2.gz UFZKVQNEWPVVIF-FBVQUNGASA-N 2 1 302.462 3.367 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(=O)OC(C)(C)C ZINC000181976159 432152751 /nfs/dbraw/zinc/15/27/51/432152751.db2.gz OMBHQDJGWWEMRC-CVEARBPZSA-N 2 1 310.482 3.057 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000129466038 196050552 /nfs/dbraw/zinc/05/05/52/196050552.db2.gz FKSHZHPGWLCXNT-QMTHXVAHSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000129466038 196050554 /nfs/dbraw/zinc/05/05/54/196050554.db2.gz FKSHZHPGWLCXNT-QMTHXVAHSA-N 2 1 304.331 3.417 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182261204 432171573 /nfs/dbraw/zinc/17/15/73/432171573.db2.gz AYHJSZFHNKCHAV-UTKZUKDTSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[NH+]1CC1(C[N@@H+]2CCC[C@H](C)[C@@H]2C)COC1 ZINC000182188915 432164555 /nfs/dbraw/zinc/16/45/55/432164555.db2.gz NQBSJKNLXFUWHE-XLAORIBOSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(C[NH+]2CCC[C@H](C)[C@@H]2C)COC1 ZINC000182188915 432164559 /nfs/dbraw/zinc/16/45/59/432164559.db2.gz NQBSJKNLXFUWHE-XLAORIBOSA-N 2 1 308.510 3.244 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C[NH+]2CCC[C@H](C)[C@@H]2C)COC1 ZINC000182188915 432164562 /nfs/dbraw/zinc/16/45/62/432164562.db2.gz NQBSJKNLXFUWHE-XLAORIBOSA-N 2 1 308.510 3.244 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000246816338 432168068 /nfs/dbraw/zinc/16/80/68/432168068.db2.gz AXDFUBKSQZVSLC-ISARSNTHSA-N 2 1 309.542 3.205 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182235696 432170384 /nfs/dbraw/zinc/17/03/84/432170384.db2.gz HTBNFKIQSHPRTH-FRQCXROJSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000246907107 432179300 /nfs/dbraw/zinc/17/93/00/432179300.db2.gz FMITXSMQPIYGGD-DSJDWBEOSA-N 2 1 316.489 3.158 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)COCc2ccccc2)[C@@H](C)C1 ZINC000246864153 432173465 /nfs/dbraw/zinc/17/34/65/432173465.db2.gz CDLFPUVWYMTFLY-LNLFQRSKSA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000246979544 432186758 /nfs/dbraw/zinc/18/67/58/432186758.db2.gz JZKGZZGQEMZXOP-IXDOHACOSA-N 2 1 322.497 3.004 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000246977945 432186993 /nfs/dbraw/zinc/18/69/93/432186993.db2.gz JNDHDVNUXORIHP-BURFUSLBSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000246977945 432186996 /nfs/dbraw/zinc/18/69/96/432186996.db2.gz JNDHDVNUXORIHP-BURFUSLBSA-N 2 1 323.550 3.449 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000246977945 432186999 /nfs/dbraw/zinc/18/69/99/432186999.db2.gz JNDHDVNUXORIHP-BURFUSLBSA-N 2 1 323.550 3.449 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182500190 432198362 /nfs/dbraw/zinc/19/83/62/432198362.db2.gz IGCAZDVDTMZWDE-QGZVFWFLSA-N 2 1 302.462 3.046 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000247097307 432201596 /nfs/dbraw/zinc/20/15/96/432201596.db2.gz PUXFVDKOTKNICK-CJGGRQNCSA-N 2 1 316.489 3.473 20 0 DGADMP COCC[N@H+](C)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000182542695 432202538 /nfs/dbraw/zinc/20/25/38/432202538.db2.gz XOAKNOGFEJFSQY-UHFFFAOYSA-N 2 1 310.441 3.314 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000182542695 432202541 /nfs/dbraw/zinc/20/25/41/432202541.db2.gz XOAKNOGFEJFSQY-UHFFFAOYSA-N 2 1 310.441 3.314 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000190941659 432203545 /nfs/dbraw/zinc/20/35/45/432203545.db2.gz RPPMCPKDUQKNJW-QZTJIDSGSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000131251850 196153898 /nfs/dbraw/zinc/15/38/98/196153898.db2.gz YDDHNJAGUCKLJC-ONERCXAPSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000131251850 196153899 /nfs/dbraw/zinc/15/38/99/196153899.db2.gz YDDHNJAGUCKLJC-ONERCXAPSA-N 2 1 317.260 3.099 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000247211054 432211840 /nfs/dbraw/zinc/21/18/40/432211840.db2.gz WYQBRAZIBZDIOC-RDGPPVDQSA-N 3 1 309.542 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000247211054 432211841 /nfs/dbraw/zinc/21/18/41/432211841.db2.gz WYQBRAZIBZDIOC-RDGPPVDQSA-N 3 1 309.542 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000247211054 432211844 /nfs/dbraw/zinc/21/18/44/432211844.db2.gz WYQBRAZIBZDIOC-RDGPPVDQSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000247211054 432211849 /nfs/dbraw/zinc/21/18/49/432211849.db2.gz WYQBRAZIBZDIOC-RDGPPVDQSA-N 2 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000247211054 432211852 /nfs/dbraw/zinc/21/18/52/432211852.db2.gz WYQBRAZIBZDIOC-RDGPPVDQSA-N 2 1 309.542 3.064 20 0 DGADMP C[C@H]1CC[C@@H](C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000191034730 432214533 /nfs/dbraw/zinc/21/45/33/432214533.db2.gz JXLNAGCDXBCMQA-LPHOPBHVSA-N 2 1 317.477 3.187 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190953239 432204451 /nfs/dbraw/zinc/20/44/51/432204451.db2.gz HBPHJKJGEFJNFV-OAHLLOKOSA-N 2 1 313.445 3.406 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247144102 432205230 /nfs/dbraw/zinc/20/52/30/432205230.db2.gz RBIUPZIMIQDWFQ-VBQJREDUSA-N 2 1 310.869 3.427 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000247133183 432206361 /nfs/dbraw/zinc/20/63/61/432206361.db2.gz AUABVDFPTQQDHP-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000247133183 432206366 /nfs/dbraw/zinc/20/63/66/432206366.db2.gz AUABVDFPTQQDHP-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000247133183 432206369 /nfs/dbraw/zinc/20/63/69/432206369.db2.gz AUABVDFPTQQDHP-WMLDXEAASA-N 2 1 308.853 3.135 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000151104277 432219321 /nfs/dbraw/zinc/21/93/21/432219321.db2.gz ZENHWHNBHPRFNN-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000151104277 432219325 /nfs/dbraw/zinc/21/93/25/432219325.db2.gz ZENHWHNBHPRFNN-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000151099040 432220068 /nfs/dbraw/zinc/22/00/68/432220068.db2.gz CUCSAMMPHQVXPN-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000151099040 432220073 /nfs/dbraw/zinc/22/00/73/432220073.db2.gz CUCSAMMPHQVXPN-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000269935030 432224124 /nfs/dbraw/zinc/22/41/24/432224124.db2.gz DZNWCSQTDVPNQL-HKUYNNGSSA-N 2 1 313.445 3.339 20 0 DGADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000132956574 196299341 /nfs/dbraw/zinc/29/93/41/196299341.db2.gz ANTAEXHBIPMNRC-APWZRJJASA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000134018990 196353863 /nfs/dbraw/zinc/35/38/63/196353863.db2.gz QCVYGXCVJUHNEQ-OHSMVPPVSA-N 2 1 324.472 3.057 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000134028067 196355288 /nfs/dbraw/zinc/35/52/88/196355288.db2.gz JTHXVYDJDGZFPH-HUUCEWRRSA-N 2 1 309.417 3.117 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000134410126 196388723 /nfs/dbraw/zinc/38/87/23/196388723.db2.gz SMNLRMBVNCVNQH-FZMZJTMJSA-N 2 1 302.340 3.015 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3C[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422867209 287355463 /nfs/dbraw/zinc/35/54/63/287355463.db2.gz RVIIIIWRRSWPPY-UWVAXJGDSA-N 2 1 315.505 3.006 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000291172083 222192241 /nfs/dbraw/zinc/19/22/41/222192241.db2.gz NIGANTFYSAIEBJ-UHFFFAOYSA-N 2 1 322.493 3.318 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291254435 222260987 /nfs/dbraw/zinc/26/09/87/222260987.db2.gz WFVKOQUBWGQXLI-CUDHKJQZSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291254435 222260991 /nfs/dbraw/zinc/26/09/91/222260991.db2.gz WFVKOQUBWGQXLI-CUDHKJQZSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000175117703 228297222 /nfs/dbraw/zinc/29/72/22/228297222.db2.gz CDJKGFIADDCXFT-ZDUSSCGKSA-N 2 1 311.495 3.014 20 0 DGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000682645706 549349224 /nfs/dbraw/zinc/34/92/24/549349224.db2.gz NABIVWBDYJPNOZ-INIZCTEOSA-N 2 1 319.836 3.428 20 0 DGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000682645707 549349464 /nfs/dbraw/zinc/34/94/64/549349464.db2.gz NABIVWBDYJPNOZ-MRXNPFEDSA-N 2 1 319.836 3.428 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCCC(C)C ZINC000346630727 264068454 /nfs/dbraw/zinc/06/84/54/264068454.db2.gz CHWMUMGIHKKCTO-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000346641334 264071413 /nfs/dbraw/zinc/07/14/13/264071413.db2.gz BNYIJTHQAXDFRN-ZFWWWQNUSA-N 2 1 301.459 3.288 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCC(C)C ZINC000346648951 264073194 /nfs/dbraw/zinc/07/31/94/264073194.db2.gz GEMBLYTUKMKCLY-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660945 264074684 /nfs/dbraw/zinc/07/46/84/264074684.db2.gz AOPMETSDEHVPDM-KOLCDFICSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660945 264074685 /nfs/dbraw/zinc/07/46/85/264074685.db2.gz AOPMETSDEHVPDM-KOLCDFICSA-N 2 1 304.768 3.111 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000346687873 264079542 /nfs/dbraw/zinc/07/95/42/264079542.db2.gz WZORUGINRMVLSU-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cccc1OCC ZINC000346687873 264079545 /nfs/dbraw/zinc/07/95/45/264079545.db2.gz WZORUGINRMVLSU-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346684537 264079920 /nfs/dbraw/zinc/07/99/20/264079920.db2.gz QCYSYPLUJSTQST-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cccc1OCC ZINC000346819344 264102816 /nfs/dbraw/zinc/10/28/16/264102816.db2.gz BETISBORIMAALQ-BHYGNILZSA-N 2 1 318.461 3.043 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)s2)o1 ZINC000346821609 264103500 /nfs/dbraw/zinc/10/35/00/264103500.db2.gz IYRLSZVYFXSCCC-CFVMTHIKSA-N 2 1 317.458 3.271 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@@H]12 ZINC000346822962 264103879 /nfs/dbraw/zinc/10/38/79/264103879.db2.gz JISPVDZGLZKYAH-SZVBFZGTSA-N 2 1 311.404 3.057 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCC3CC3)C[C@@H]21 ZINC000346826681 264104559 /nfs/dbraw/zinc/10/45/59/264104559.db2.gz LZWXJWWAXMQJPB-RYQLBKOJSA-N 2 1 300.446 3.035 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346839565 264106453 /nfs/dbraw/zinc/10/64/53/264106453.db2.gz YKYSMOOMKOQSJO-BBWFWOEESA-N 2 1 318.461 3.043 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346851213 264109207 /nfs/dbraw/zinc/10/92/07/264109207.db2.gz QVKIONDIQXNFFX-YJBOKZPZSA-N 2 1 312.461 3.193 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346851213 264109210 /nfs/dbraw/zinc/10/92/10/264109210.db2.gz QVKIONDIQXNFFX-YJBOKZPZSA-N 2 1 312.461 3.193 20 0 DGADMP CCC[N@H+](Cc1cnc(-c2ccccn2)s1)C1CC[NH2+]CC1 ZINC000347009951 264139009 /nfs/dbraw/zinc/13/90/09/264139009.db2.gz SUMIDDKYYQUJKX-UHFFFAOYSA-N 2 1 316.474 3.169 20 0 DGADMP CCC[N@@H+](Cc1cnc(-c2ccccn2)s1)C1CC[NH2+]CC1 ZINC000347009951 264139011 /nfs/dbraw/zinc/13/90/11/264139011.db2.gz SUMIDDKYYQUJKX-UHFFFAOYSA-N 2 1 316.474 3.169 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(OCCC)c1 ZINC000347016865 264141459 /nfs/dbraw/zinc/14/14/59/264141459.db2.gz ZOKAUGCVDDTOIM-YJBOKZPZSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(OCCC)c1 ZINC000347016865 264141460 /nfs/dbraw/zinc/14/14/60/264141460.db2.gz ZOKAUGCVDDTOIM-YJBOKZPZSA-N 2 1 320.477 3.433 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1Oc1cccnc1 ZINC000347032455 264143807 /nfs/dbraw/zinc/14/38/07/264143807.db2.gz DUXUNRNEGJXQKQ-CRAIPNDOSA-N 2 1 311.429 3.351 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035951 264145156 /nfs/dbraw/zinc/14/51/56/264145156.db2.gz DRUIBDFXQNAFEC-UONOGXRCSA-N 2 1 312.404 3.464 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000347035951 264145159 /nfs/dbraw/zinc/14/51/59/264145159.db2.gz DRUIBDFXQNAFEC-UONOGXRCSA-N 2 1 312.404 3.464 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347050655 264148323 /nfs/dbraw/zinc/14/83/23/264148323.db2.gz QYUBWVSMOJXWBL-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347050655 264148325 /nfs/dbraw/zinc/14/83/25/264148325.db2.gz QYUBWVSMOJXWBL-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@H+](Cc1ccccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073776 264152173 /nfs/dbraw/zinc/15/21/73/264152173.db2.gz SOKIEMBBQPPAPP-JWTNVVGKSA-N 2 1 300.446 3.190 20 0 DGADMP C[N@@H+](Cc1ccccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073776 264152174 /nfs/dbraw/zinc/15/21/74/264152174.db2.gz SOKIEMBBQPPAPP-JWTNVVGKSA-N 2 1 300.446 3.190 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347078501 264153305 /nfs/dbraw/zinc/15/33/05/264153305.db2.gz VVAZUHCMKILKAB-KRWDZBQOSA-N 3 1 317.521 3.204 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000347078501 264153308 /nfs/dbraw/zinc/15/33/08/264153308.db2.gz VVAZUHCMKILKAB-KRWDZBQOSA-N 2 1 317.521 3.204 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347097261 264155565 /nfs/dbraw/zinc/15/55/65/264155565.db2.gz JEOKPBXDNPNGJP-LSDHHAIUSA-N 2 1 307.457 3.089 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347097261 264155566 /nfs/dbraw/zinc/15/55/66/264155566.db2.gz JEOKPBXDNPNGJP-LSDHHAIUSA-N 2 1 307.457 3.089 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347093893 264155831 /nfs/dbraw/zinc/15/58/31/264155831.db2.gz HGCCGPJBUUUDLU-UKRRQHHQSA-N 2 1 301.459 3.369 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC(C)C ZINC000347102420 264156844 /nfs/dbraw/zinc/15/68/44/264156844.db2.gz KKNSNYAXHMVOLI-LSDHHAIUSA-N 2 1 306.450 3.042 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC(C)C ZINC000347102420 264156845 /nfs/dbraw/zinc/15/68/45/264156845.db2.gz KKNSNYAXHMVOLI-LSDHHAIUSA-N 2 1 306.450 3.042 20 0 DGADMP C[NH2+]C[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347165277 264167812 /nfs/dbraw/zinc/16/78/12/264167812.db2.gz JSTPPXKZCMSDIH-IBGZPJMESA-N 2 1 317.521 3.076 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000347378311 264210104 /nfs/dbraw/zinc/21/01/04/264210104.db2.gz FJLJAPGJBBCTRO-SJORKVTESA-N 2 1 315.461 3.068 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000347378311 264210107 /nfs/dbraw/zinc/21/01/07/264210107.db2.gz FJLJAPGJBBCTRO-SJORKVTESA-N 2 1 315.461 3.068 20 0 DGADMP C[C@@H]1CN(CC[NH+]2CCCCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000347559551 264241620 /nfs/dbraw/zinc/24/16/20/264241620.db2.gz DSEQITYDCUODMY-RBUKOAKNSA-N 2 1 315.505 3.067 20 0 DGADMP COc1ccc([C@@H](C)N(C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657533 264261130 /nfs/dbraw/zinc/26/11/30/264261130.db2.gz UIEQDHMVEUMKNT-CYBMUJFWSA-N 2 1 319.474 3.406 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347901623 264302515 /nfs/dbraw/zinc/30/25/15/264302515.db2.gz LILCVNPRVIRQMF-VQIMIIECSA-N 2 1 303.494 3.423 20 0 DGADMP COC(=O)C[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000347950184 264312830 /nfs/dbraw/zinc/31/28/30/264312830.db2.gz CGVRDIOUWQYACD-KRWDZBQOSA-N 2 1 321.465 3.073 20 0 DGADMP Fc1cccc(C[NH+]2CCN(c3ccnc4ccncc43)CC2)c1 ZINC000348105156 264341025 /nfs/dbraw/zinc/34/10/25/264341025.db2.gz KLASXFARLHAZGI-UHFFFAOYSA-N 2 1 322.387 3.091 20 0 DGADMP Cc1cc(C)c2c(c1)CN(Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000348177336 264358827 /nfs/dbraw/zinc/35/88/27/264358827.db2.gz YKKFQJNNQAYKKQ-UHFFFAOYSA-N 2 1 315.486 3.380 20 0 DGADMP CC(C)OC1CC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348190634 264360956 /nfs/dbraw/zinc/36/09/56/264360956.db2.gz CSVKQJAIOYZJIG-OVZGMEQFSA-N 2 1 316.489 3.443 20 0 DGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000348203291 264363439 /nfs/dbraw/zinc/36/34/39/264363439.db2.gz PBFPDMYUEIJIPY-KSZLIROESA-N 2 1 319.493 3.497 20 0 DGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000348203291 264363441 /nfs/dbraw/zinc/36/34/41/264363441.db2.gz PBFPDMYUEIJIPY-KSZLIROESA-N 2 1 319.493 3.497 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000348217870 264367881 /nfs/dbraw/zinc/36/78/81/264367881.db2.gz HUCVHOPBZQEWGX-APWZRJJASA-N 2 1 304.478 3.025 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348227061 264369072 /nfs/dbraw/zinc/36/90/72/264369072.db2.gz OKIWWYNQMCVXHC-FLNBYBTLSA-N 2 1 314.473 3.054 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000348253184 264375779 /nfs/dbraw/zinc/37/57/79/264375779.db2.gz HOSNAKMQPDIBFR-PXNSSMCTSA-N 2 1 318.505 3.415 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000352803582 265173273 /nfs/dbraw/zinc/17/32/73/265173273.db2.gz BUKNDFNYSQWGAZ-DWRORGKVSA-N 2 1 307.526 3.102 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000352803582 265173275 /nfs/dbraw/zinc/17/32/75/265173275.db2.gz BUKNDFNYSQWGAZ-DWRORGKVSA-N 2 1 307.526 3.102 20 0 DGADMP Cc1csc([C@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)n1 ZINC000352997063 265259486 /nfs/dbraw/zinc/25/94/86/265259486.db2.gz JXPPILCHMVOYCK-OAHLLOKOSA-N 2 1 304.463 3.478 20 0 DGADMP CC(C)[NH+](CCN(C)c1cc[nH+]c(N2CCCCC2)n1)C(C)C ZINC000353279534 265372149 /nfs/dbraw/zinc/37/21/49/265372149.db2.gz WDKZTKXPFPZNBH-UHFFFAOYSA-N 2 1 319.497 3.022 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000353336393 265393252 /nfs/dbraw/zinc/39/32/52/265393252.db2.gz XZSUNRHTMPXNJP-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000353334110 265393658 /nfs/dbraw/zinc/39/36/58/265393658.db2.gz FZXATAOBFGDSNY-GOSISDBHSA-N 2 1 305.441 3.382 20 0 DGADMP Fc1ccc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)[nH]c2c1 ZINC000355596190 266126928 /nfs/dbraw/zinc/12/69/28/266126928.db2.gz CGKGNGPSMLJERX-UHFFFAOYSA-N 2 1 301.409 3.414 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1O ZINC000356236063 266327168 /nfs/dbraw/zinc/32/71/68/266327168.db2.gz HMCYRXIHUMTMCK-GJZGRUSLSA-N 2 1 308.466 3.040 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1O ZINC000356236063 266327169 /nfs/dbraw/zinc/32/71/69/266327169.db2.gz HMCYRXIHUMTMCK-GJZGRUSLSA-N 2 1 308.466 3.040 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCn2cncc2C1 ZINC000356298805 266345486 /nfs/dbraw/zinc/34/54/86/266345486.db2.gz PVDFMOHVHSPCGG-MDWZMJQESA-N 2 1 319.355 3.404 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCn2cncc2C1 ZINC000356298805 266345490 /nfs/dbraw/zinc/34/54/90/266345490.db2.gz PVDFMOHVHSPCGG-MDWZMJQESA-N 2 1 319.355 3.404 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000151390375 432242409 /nfs/dbraw/zinc/24/24/09/432242409.db2.gz XHEVYLVNTHRSSF-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000183020477 432250089 /nfs/dbraw/zinc/25/00/89/432250089.db2.gz UUBHAEOSDXPVCO-QGZVFWFLSA-N 2 1 323.387 3.227 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000367618352 271051810 /nfs/dbraw/zinc/05/18/10/271051810.db2.gz AXUBIWTXJZLQAT-CEXWTWQISA-N 2 1 313.445 3.132 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000367618357 271051845 /nfs/dbraw/zinc/05/18/45/271051845.db2.gz AXUBIWTXJZLQAT-GUDVDZBRSA-N 2 1 313.445 3.132 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367697326 271066507 /nfs/dbraw/zinc/06/65/07/271066507.db2.gz KSRHSIZQZUCGJZ-LFGUQSLTSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]([NH2+]C1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367926888 271097996 /nfs/dbraw/zinc/09/79/96/271097996.db2.gz AKBQUQGQUOGAAA-RDJZCZTQSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368852281 271215828 /nfs/dbraw/zinc/21/58/28/271215828.db2.gz VTLIDYJNOFDFQT-UHFFFAOYSA-N 2 1 322.880 3.415 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368852281 271215831 /nfs/dbraw/zinc/21/58/31/271215831.db2.gz VTLIDYJNOFDFQT-UHFFFAOYSA-N 2 1 322.880 3.415 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)c1 ZINC000370736881 271386828 /nfs/dbraw/zinc/38/68/28/271386828.db2.gz AZZVWMLIVNCNFJ-WOJBJXKFSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1c([C@H](C)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191334335 432251766 /nfs/dbraw/zinc/25/17/66/432251766.db2.gz XRKHKLSWXRZGLS-YDHLFZDLSA-N 2 1 304.482 3.222 20 0 DGADMP Cc1c([C@H](C)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191334335 432251770 /nfs/dbraw/zinc/25/17/70/432251770.db2.gz XRKHKLSWXRZGLS-YDHLFZDLSA-N 2 1 304.482 3.222 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963043 432256300 /nfs/dbraw/zinc/25/63/00/432256300.db2.gz DBUSQURYZYVVJU-OALUTQOASA-N 2 1 307.526 3.059 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)[C@@H](C)C1 ZINC000247967199 432257198 /nfs/dbraw/zinc/25/71/98/432257198.db2.gz IGVFVDLFGCMZHM-JCGIZDLHSA-N 2 1 323.912 3.263 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247966459 432257450 /nfs/dbraw/zinc/25/74/50/432257450.db2.gz GWLVUDMMQZSEOM-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247966459 432257456 /nfs/dbraw/zinc/25/74/56/432257456.db2.gz GWLVUDMMQZSEOM-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247966459 432257460 /nfs/dbraw/zinc/25/74/60/432257460.db2.gz GWLVUDMMQZSEOM-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343103845 274026034 /nfs/dbraw/zinc/02/60/34/274026034.db2.gz JYNYFPHECZORLM-KRWDZBQOSA-N 2 1 308.853 3.028 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340183401 274290888 /nfs/dbraw/zinc/29/08/88/274290888.db2.gz FLYKVKATCXJXBF-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340183401 274290889 /nfs/dbraw/zinc/29/08/89/274290889.db2.gz FLYKVKATCXJXBF-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340183401 274290891 /nfs/dbraw/zinc/29/08/91/274290891.db2.gz FLYKVKATCXJXBF-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]1 ZINC000423378445 274393928 /nfs/dbraw/zinc/39/39/28/274393928.db2.gz LCMJJNNHXLMYIJ-GMXABZIVSA-N 2 1 313.367 3.208 20 0 DGADMP OCC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415121126 275047737 /nfs/dbraw/zinc/04/77/37/275047737.db2.gz MJZLFDZULYWJFG-XUVXKRRUSA-N 2 1 310.441 3.193 20 0 DGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000190945309 275058742 /nfs/dbraw/zinc/05/87/42/275058742.db2.gz PVTLEMFABWNPDF-KURKYZTESA-N 2 1 318.461 3.015 20 0 DGADMP CC(C)[C@H](CCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286161846 276015520 /nfs/dbraw/zinc/01/55/20/276015520.db2.gz PXESJRRTQHWKSE-MHJFOBGBSA-N 2 1 318.505 3.426 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cn2cccn2)C(C)C)c1 ZINC000284153583 276075841 /nfs/dbraw/zinc/07/58/41/276075841.db2.gz PKSPSWYPMBQMCF-IBGZPJMESA-N 2 1 314.477 3.149 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422739488 276076260 /nfs/dbraw/zinc/07/62/60/276076260.db2.gz LMDLIEKKBLVOPV-UXHICEINSA-N 2 1 309.457 3.373 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422739488 276076262 /nfs/dbraw/zinc/07/62/62/276076262.db2.gz LMDLIEKKBLVOPV-UXHICEINSA-N 3 1 309.457 3.373 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422739488 276076264 /nfs/dbraw/zinc/07/62/64/276076264.db2.gz LMDLIEKKBLVOPV-UXHICEINSA-N 3 1 309.457 3.373 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273501763 276151543 /nfs/dbraw/zinc/15/15/43/276151543.db2.gz YWZLNKYDPVDGTL-MSOLQXFVSA-N 2 1 306.425 3.120 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000264467279 276201601 /nfs/dbraw/zinc/20/16/01/276201601.db2.gz SXCHGWHQRMERKB-QAPCUYQASA-N 2 1 321.896 3.113 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851271 276207586 /nfs/dbraw/zinc/20/75/86/276207586.db2.gz OKAORLLUJXAUMB-NVXWUHKLSA-N 2 1 323.525 3.066 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000246430939 276395835 /nfs/dbraw/zinc/39/58/35/276395835.db2.gz NXTFZOMEQNYNMT-DCCYDQLOSA-N 3 1 321.553 3.349 20 0 DGADMP CCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000246430939 276395836 /nfs/dbraw/zinc/39/58/36/276395836.db2.gz NXTFZOMEQNYNMT-DCCYDQLOSA-N 2 1 321.553 3.349 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414664988 277033350 /nfs/dbraw/zinc/03/33/50/277033350.db2.gz DDPLBDGWMPNYDT-QWHCGFSZSA-N 2 1 300.368 3.350 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417947843 277073594 /nfs/dbraw/zinc/07/35/94/277073594.db2.gz UIHHFYCLEBGRCX-IJEWVQPXSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417947843 277073596 /nfs/dbraw/zinc/07/35/96/277073596.db2.gz UIHHFYCLEBGRCX-IJEWVQPXSA-N 2 1 308.491 3.288 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414176187 277082918 /nfs/dbraw/zinc/08/29/18/277082918.db2.gz IDIKAYBBAVDRRB-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@@H]2C1 ZINC000486708855 277178650 /nfs/dbraw/zinc/17/86/50/277178650.db2.gz LPYMUXPBPITGNO-YVEFUNNKSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@@H]2C1 ZINC000486708855 277178651 /nfs/dbraw/zinc/17/86/51/277178651.db2.gz LPYMUXPBPITGNO-YVEFUNNKSA-N 2 1 301.821 3.419 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC(C)C ZINC000422561545 277377590 /nfs/dbraw/zinc/37/75/90/277377590.db2.gz LVSGSGGLDIGIRX-UXLLHSPISA-N 2 1 320.477 3.288 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422817394 277386444 /nfs/dbraw/zinc/38/64/44/277386444.db2.gz HMXUBKUZROGPOY-IPMKNSEASA-N 3 1 307.526 3.007 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422800563 277423518 /nfs/dbraw/zinc/42/35/18/277423518.db2.gz CFIRIUDCLPCBGF-ZBFHGGJFSA-N 2 1 306.450 3.104 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000279035166 277982532 /nfs/dbraw/zinc/98/25/32/277982532.db2.gz WPSPZYQRGSAQTR-KSSFIOAISA-N 2 1 311.429 3.121 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000495256611 278031858 /nfs/dbraw/zinc/03/18/58/278031858.db2.gz SYQQBNBCOBSNHR-FUHWJXTLSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccnn1C ZINC000192898862 278264631 /nfs/dbraw/zinc/26/46/31/278264631.db2.gz ZNUOEVSZVIICFQ-VBQJREDUSA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccnn1C ZINC000192898862 278264634 /nfs/dbraw/zinc/26/46/34/278264634.db2.gz ZNUOEVSZVIICFQ-VBQJREDUSA-N 2 1 318.490 3.215 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1N(C)C ZINC000179402337 278335679 /nfs/dbraw/zinc/33/56/79/278335679.db2.gz XECGSOAGKZYUJC-OAHLLOKOSA-N 2 1 301.478 3.278 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000340472252 278335819 /nfs/dbraw/zinc/33/58/19/278335819.db2.gz HNEHWDWYIQIFLM-XLIONFOSSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289774368 279044375 /nfs/dbraw/zinc/04/43/75/279044375.db2.gz XUTOKGLLQKCGOT-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442890166 288104116 /nfs/dbraw/zinc/10/41/16/288104116.db2.gz NNMJRFAQNCMIFM-QRVBRYPASA-N 2 1 321.553 3.351 20 0 DGADMP Clc1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312868 279292253 /nfs/dbraw/zinc/29/22/53/279292253.db2.gz XLUDOIVXWYMZDT-CZUORRHYSA-N 2 1 310.894 3.430 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467361124 279306331 /nfs/dbraw/zinc/30/63/31/279306331.db2.gz ZCMOHDYGHJPELF-FCGDIQPGSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414769860 279321228 /nfs/dbraw/zinc/32/12/28/279321228.db2.gz XKNGYPLSUQXQTF-CJNGLKHVSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C[NH+](C)C ZINC000293712032 279346224 /nfs/dbraw/zinc/34/62/24/279346224.db2.gz OYBHCKMJOBGSTR-QHGAOEGBSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449080332 279356151 /nfs/dbraw/zinc/35/61/51/279356151.db2.gz VFQHPMDQAGKBPJ-LJQANCHMSA-N 2 1 321.553 3.497 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000111240961 431198266 /nfs/dbraw/zinc/19/82/66/431198266.db2.gz IWWVMXCCWOMJPQ-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000069724254 431215051 /nfs/dbraw/zinc/21/50/51/431215051.db2.gz UPGKHSUHNIYFAV-JTQLQIEISA-N 2 1 303.269 3.071 20 0 DGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000434768682 279635914 /nfs/dbraw/zinc/63/59/14/279635914.db2.gz ZONZQFWOTAEZEM-LPHOPBHVSA-N 2 1 316.489 3.433 20 0 DGADMP Cc1nn(C)c(C)c1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934671 431369306 /nfs/dbraw/zinc/36/93/06/431369306.db2.gz ABOHFSYAQYNLOO-MAUKXSAKSA-N 2 1 318.509 3.123 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3occc32)C[C@H](C)O1 ZINC000192767484 288161148 /nfs/dbraw/zinc/16/11/48/288161148.db2.gz MMRDYQFXMUAFLV-HLLBOEOZSA-N 2 1 306.450 3.136 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC000115628524 431466691 /nfs/dbraw/zinc/46/66/91/431466691.db2.gz HDLQJXDPVJVPEH-QAPCUYQASA-N 2 1 308.441 3.052 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC000115628524 431466699 /nfs/dbraw/zinc/46/66/99/431466699.db2.gz HDLQJXDPVJVPEH-QAPCUYQASA-N 2 1 308.441 3.052 20 0 DGADMP CC[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154499 431531285 /nfs/dbraw/zinc/53/12/85/431531285.db2.gz AXEKXEQULLMSGR-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP CC[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154499 431531289 /nfs/dbraw/zinc/53/12/89/431531289.db2.gz AXEKXEQULLMSGR-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154499 431531295 /nfs/dbraw/zinc/53/12/95/431531295.db2.gz AXEKXEQULLMSGR-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154499 431531300 /nfs/dbraw/zinc/53/13/00/431531300.db2.gz AXEKXEQULLMSGR-FQEVSTJZSA-N 2 1 309.457 3.426 20 0 DGADMP Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396198 431506611 /nfs/dbraw/zinc/50/66/11/431506611.db2.gz NATGIAJSZLNQRC-NVXWUHKLSA-N 2 1 319.493 3.278 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000076001651 431513430 /nfs/dbraw/zinc/51/34/30/431513430.db2.gz CCCJIIKFMNWXOJ-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000076001651 431513436 /nfs/dbraw/zinc/51/34/36/431513436.db2.gz CCCJIIKFMNWXOJ-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432449253 280325309 /nfs/dbraw/zinc/32/53/09/280325309.db2.gz UNNQWRSLTCPWNV-HKUYNNGSSA-N 2 1 304.478 3.474 20 0 DGADMP COCCCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000119472413 431694482 /nfs/dbraw/zinc/69/44/82/431694482.db2.gz SHHREWVRDNLOKZ-IBGZPJMESA-N 2 1 304.478 3.400 20 0 DGADMP COCCCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000119472413 431694487 /nfs/dbraw/zinc/69/44/87/431694487.db2.gz SHHREWVRDNLOKZ-IBGZPJMESA-N 2 1 304.478 3.400 20 0 DGADMP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000121346837 431773847 /nfs/dbraw/zinc/77/38/47/431773847.db2.gz XXZLWPPOMITCHL-DNVCBOLYSA-N 2 1 314.429 3.179 20 0 DGADMP C[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000036846346 431842152 /nfs/dbraw/zinc/84/21/52/431842152.db2.gz VXOVXPZEHFNOLI-UHFFFAOYSA-N 2 1 323.278 3.379 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000122840694 431846325 /nfs/dbraw/zinc/84/63/25/431846325.db2.gz OFOMOGNNGKUTNI-HNNXBMFYSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018392 431853520 /nfs/dbraw/zinc/85/35/20/431853520.db2.gz ZMOWFUVLYQEDRW-FOGDFJRCSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000038018392 431853523 /nfs/dbraw/zinc/85/35/23/431853523.db2.gz ZMOWFUVLYQEDRW-FOGDFJRCSA-N 2 1 317.296 3.329 20 0 DGADMP COc1cccc(NC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000125167463 431916321 /nfs/dbraw/zinc/91/63/21/431916321.db2.gz JJBGSCOJPQCVOA-SFHVURJKSA-N 2 1 317.477 3.056 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044534474 431875405 /nfs/dbraw/zinc/87/54/05/431875405.db2.gz MWXGXSBEXXYAPE-OLZOCXBDSA-N 2 1 311.267 3.442 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000124507643 431896493 /nfs/dbraw/zinc/89/64/93/431896493.db2.gz WHPVWWRGUYZEAG-LJQANCHMSA-N 2 1 321.484 3.140 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000090909706 431897485 /nfs/dbraw/zinc/89/74/85/431897485.db2.gz OJKQKZABWIHIKZ-WFXMFSGNSA-N 2 1 304.478 3.192 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000125489790 431927542 /nfs/dbraw/zinc/92/75/42/431927542.db2.gz YIBOJYHHHVIAAY-CGBFIWBNSA-N 2 1 315.505 3.282 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000049553402 431942022 /nfs/dbraw/zinc/94/20/22/431942022.db2.gz MXYRRBFSRGNTGY-SNVBAGLBSA-N 2 1 303.219 3.018 20 0 DGADMP C[C@H]1C[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126775930 431957979 /nfs/dbraw/zinc/95/79/79/431957979.db2.gz RGWIQZCSVHZQDM-YESZJQIVSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775930 431957981 /nfs/dbraw/zinc/95/79/81/431957981.db2.gz RGWIQZCSVHZQDM-YESZJQIVSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775930 431957982 /nfs/dbraw/zinc/95/79/82/431957982.db2.gz RGWIQZCSVHZQDM-YESZJQIVSA-N 3 1 321.534 3.032 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127870218 431983068 /nfs/dbraw/zinc/98/30/68/431983068.db2.gz CHIMSHVKNIHEFC-VFVRVIDISA-N 2 1 303.425 3.168 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000127911658 431983813 /nfs/dbraw/zinc/98/38/13/431983813.db2.gz RCOLSNSDTKZRAU-OCCSQVGLSA-N 2 1 311.267 3.330 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000128011509 431985666 /nfs/dbraw/zinc/98/56/66/431985666.db2.gz VMUVLQSWXPAHCF-MRXNPFEDSA-N 2 1 322.468 3.408 20 0 DGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000128084614 431987281 /nfs/dbraw/zinc/98/72/81/431987281.db2.gz SVNGNJOEINKEDX-YQVWRLOYSA-N 2 1 300.446 3.363 20 0 DGADMP Cc1cccc(C[NH+](C)C/C=C\C[N@H+](C)Cc2cccc(C)n2)n1 ZINC000340172231 281215544 /nfs/dbraw/zinc/21/55/44/281215544.db2.gz GMMZPRIEIKLNIQ-WAYWQWQTSA-N 2 1 324.472 3.213 20 0 DGADMP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918005 281235551 /nfs/dbraw/zinc/23/55/51/281235551.db2.gz UWBIFUKPMSYHQK-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918005 281235552 /nfs/dbraw/zinc/23/55/52/281235552.db2.gz UWBIFUKPMSYHQK-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP CCc1ccc([C@@H](CC)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128381288 431992698 /nfs/dbraw/zinc/99/26/98/431992698.db2.gz IVSWDUBQNAYXHH-HXUWFJFHSA-N 2 1 317.521 3.317 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccccc1F ZINC000191513359 432273062 /nfs/dbraw/zinc/27/30/62/432273062.db2.gz NMFKCDXSQHVDEI-UHFFFAOYSA-N 2 1 319.424 3.376 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccccc1F ZINC000191513359 432273066 /nfs/dbraw/zinc/27/30/66/432273066.db2.gz NMFKCDXSQHVDEI-UHFFFAOYSA-N 2 1 319.424 3.376 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399373 432285236 /nfs/dbraw/zinc/28/52/36/432285236.db2.gz JTIAXJICFNPWPA-PMPSAXMXSA-N 2 1 324.509 3.349 20 0 DGADMP COCCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248402402 432285558 /nfs/dbraw/zinc/28/55/58/432285558.db2.gz UXTWZSOJWMZYGB-DZFIZOCASA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCCC1 ZINC000248458551 432294729 /nfs/dbraw/zinc/29/47/29/432294729.db2.gz UVQQXCTUEDXQSB-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000248452517 432295276 /nfs/dbraw/zinc/29/52/76/432295276.db2.gz PWBJYBLLQBLSRR-CTNGQTDRSA-N 2 1 322.452 3.030 20 0 DGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000270857679 432297437 /nfs/dbraw/zinc/29/74/37/432297437.db2.gz JIAFHLAFCTWYGC-OAHLLOKOSA-N 2 1 301.434 3.153 20 0 DGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000270857679 432297440 /nfs/dbraw/zinc/29/74/40/432297440.db2.gz JIAFHLAFCTWYGC-OAHLLOKOSA-N 2 1 301.434 3.153 20 0 DGADMP Cc1ccc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191446279 432264686 /nfs/dbraw/zinc/26/46/86/432264686.db2.gz PEMCXOONVGECQD-LJQANCHMSA-N 2 1 317.521 3.404 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC000191456164 432267376 /nfs/dbraw/zinc/26/73/76/432267376.db2.gz WKYVKWHYTKURHN-UHFFFAOYSA-N 2 1 321.553 3.447 20 0 DGADMP CN(Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152350013 432326050 /nfs/dbraw/zinc/32/60/50/432326050.db2.gz IQMYFOJXRIKXEV-AWEZNQCLSA-N 2 1 317.408 3.254 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058111 432329674 /nfs/dbraw/zinc/32/96/74/432329674.db2.gz UUYOBJSIEZBHJE-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058111 432329676 /nfs/dbraw/zinc/32/96/76/432329676.db2.gz UUYOBJSIEZBHJE-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058111 432329679 /nfs/dbraw/zinc/32/96/79/432329679.db2.gz UUYOBJSIEZBHJE-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058111 432329681 /nfs/dbraw/zinc/32/96/81/432329681.db2.gz UUYOBJSIEZBHJE-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192058111 432329683 /nfs/dbraw/zinc/32/96/83/432329683.db2.gz UUYOBJSIEZBHJE-ZDUSSCGKSA-N 2 1 314.832 3.132 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152407701 432331231 /nfs/dbraw/zinc/33/12/31/432331231.db2.gz CNOOOTKELLRVSI-QWHCGFSZSA-N 2 1 308.853 3.484 20 0 DGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000152613478 432343345 /nfs/dbraw/zinc/34/33/45/432343345.db2.gz BTPLVQWMINSYMN-IEBWSBKVSA-N 2 1 308.510 3.458 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248602207 432305377 /nfs/dbraw/zinc/30/53/77/432305377.db2.gz VJJRPRPNPICIMZ-QRVBRYPASA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248602207 432305382 /nfs/dbraw/zinc/30/53/82/432305382.db2.gz VJJRPRPNPICIMZ-QRVBRYPASA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248602207 432305385 /nfs/dbraw/zinc/30/53/85/432305385.db2.gz VJJRPRPNPICIMZ-QRVBRYPASA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248602207 432305389 /nfs/dbraw/zinc/30/53/89/432305389.db2.gz VJJRPRPNPICIMZ-QRVBRYPASA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191860667 432309638 /nfs/dbraw/zinc/30/96/38/432309638.db2.gz LWOGLCGZTSAUGU-QDSNELGPSA-N 2 1 302.462 3.083 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000192441902 432375393 /nfs/dbraw/zinc/37/53/93/432375393.db2.gz OFDJVSAQQXHUNJ-SJLPKXTDSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000252646371 432385062 /nfs/dbraw/zinc/38/50/62/432385062.db2.gz GJFZJQNVRAGQAE-IXDOHACOSA-N 2 1 320.477 3.235 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252675297 432386847 /nfs/dbraw/zinc/38/68/47/432386847.db2.gz ZJTXDNLQWFEPLP-MNOVXSKESA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252675297 432386849 /nfs/dbraw/zinc/38/68/49/432386849.db2.gz ZJTXDNLQWFEPLP-MNOVXSKESA-N 2 1 315.280 3.227 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000271494144 432407548 /nfs/dbraw/zinc/40/75/48/432407548.db2.gz PHOMVLNHETZYLD-UHFFFAOYSA-N 2 1 318.461 3.288 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271472382 432402439 /nfs/dbraw/zinc/40/24/39/432402439.db2.gz HPRUMVLBQWEHAN-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271472382 432402443 /nfs/dbraw/zinc/40/24/43/432402443.db2.gz HPRUMVLBQWEHAN-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174628740 432359935 /nfs/dbraw/zinc/35/99/35/432359935.db2.gz DCWHTBYFPOCGDJ-ZYHUDNBSSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174628740 432359939 /nfs/dbraw/zinc/35/99/39/432359939.db2.gz DCWHTBYFPOCGDJ-ZYHUDNBSSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250286208 432366431 /nfs/dbraw/zinc/36/64/31/432366431.db2.gz LFYHTQZVRGBZKT-CEXWTWQISA-N 2 1 315.505 3.238 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261544237 432430809 /nfs/dbraw/zinc/43/08/09/432430809.db2.gz IRQKFGOEZOJMDU-CDHQVMDDSA-N 2 1 309.457 3.241 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@H]21 ZINC000261616085 432435306 /nfs/dbraw/zinc/43/53/06/432435306.db2.gz BRJGAKGVUQIOGQ-MISYRCLQSA-N 2 1 310.441 3.278 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000272070453 432441051 /nfs/dbraw/zinc/44/10/51/432441051.db2.gz UOMCDLTVGWZNCC-UHFFFAOYSA-N 2 1 306.413 3.433 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000153779784 432442702 /nfs/dbraw/zinc/44/27/02/432442702.db2.gz DYIJELSNIHJWFK-SFHVURJKSA-N 2 1 320.477 3.075 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(N)c3)C2)CC1 ZINC000261746311 432445628 /nfs/dbraw/zinc/44/56/28/432445628.db2.gz VOCNVUIESPPBIY-SFHVURJKSA-N 2 1 301.478 3.213 20 0 DGADMP OCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193070476 432445821 /nfs/dbraw/zinc/44/58/21/432445821.db2.gz NDEQJSHYIAMNOY-IHWFROFDSA-N 2 1 316.489 3.324 20 0 DGADMP Fc1ccc2nc([C@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)oc2c1 ZINC000261758761 432449083 /nfs/dbraw/zinc/44/90/83/432449083.db2.gz CRYCFJNXUOYYOD-AWEZNQCLSA-N 2 1 317.408 3.146 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000261812673 432452414 /nfs/dbraw/zinc/45/24/14/432452414.db2.gz GRJOCJIWBAIDKT-CGTJXYLNSA-N 2 1 311.429 3.209 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000153892670 432453436 /nfs/dbraw/zinc/45/34/36/432453436.db2.gz ZJKFTXUGUPZOQJ-MRXNPFEDSA-N 2 1 318.461 3.025 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000153892670 432453439 /nfs/dbraw/zinc/45/34/39/432453439.db2.gz ZJKFTXUGUPZOQJ-MRXNPFEDSA-N 2 1 318.461 3.025 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000261838257 432454965 /nfs/dbraw/zinc/45/49/65/432454965.db2.gz QLPHPBOYLGTVPF-HXUWFJFHSA-N 2 1 320.440 3.196 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000192739187 432407788 /nfs/dbraw/zinc/40/77/88/432407788.db2.gz QGQVYBNEJTYYLL-UHFFFAOYSA-N 2 1 321.553 3.449 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000184586707 432409139 /nfs/dbraw/zinc/40/91/39/432409139.db2.gz LZIMVRIVSYVGRS-HXUWFJFHSA-N 2 1 310.441 3.071 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCC(C)(C)CC2)CC1 ZINC000192755857 432410225 /nfs/dbraw/zinc/41/02/25/432410225.db2.gz CYQTZXZWJFOSDQ-UHFFFAOYSA-N 2 1 309.542 3.303 20 0 DGADMP Fc1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000271529579 432415546 /nfs/dbraw/zinc/41/55/46/432415546.db2.gz KGKJFVJEAZGRAT-ZWKOTPCHSA-N 2 1 302.437 3.365 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271531845 432417352 /nfs/dbraw/zinc/41/73/52/432417352.db2.gz SCVHVCIZTAUOCM-JENIJYKNSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271531845 432417356 /nfs/dbraw/zinc/41/73/56/432417356.db2.gz SCVHVCIZTAUOCM-JENIJYKNSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153607052 432424885 /nfs/dbraw/zinc/42/48/85/432424885.db2.gz DHGSPZRHNOTCJE-LMMKCTJWSA-N 2 1 316.489 3.053 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153599508 432425049 /nfs/dbraw/zinc/42/50/49/432425049.db2.gz SPRHDZNJNJGBGJ-IEBWSBKVSA-N 2 1 316.489 3.055 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]21 ZINC000262059039 432472466 /nfs/dbraw/zinc/47/24/66/432472466.db2.gz DTUYDWMBEWYZCW-YWPYICTPSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]21 ZINC000262059039 432472467 /nfs/dbraw/zinc/47/24/67/432472467.db2.gz DTUYDWMBEWYZCW-YWPYICTPSA-N 2 1 316.342 3.404 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Nc1ccccc1 ZINC000154136621 432475603 /nfs/dbraw/zinc/47/56/03/432475603.db2.gz VSFNKAZZWJVWJI-NEPXVJNWSA-N 2 1 303.494 3.441 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262137544 432476070 /nfs/dbraw/zinc/47/60/70/432476070.db2.gz MBUQBBJKIWUFLE-JMGFVUJMSA-N 2 1 310.388 3.408 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cn1 ZINC000272317396 432482042 /nfs/dbraw/zinc/48/20/42/432482042.db2.gz SXJJTXYJZKPMSW-UHFFFAOYSA-N 2 1 314.433 3.011 20 0 DGADMP C[C@@H](N[C@@H](C)c1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346004 432486575 /nfs/dbraw/zinc/48/65/75/432486575.db2.gz PVAIRZLYOJEFOF-SOLBZPMBSA-N 2 1 310.445 3.038 20 0 DGADMP C[N@H+](Cc1ccc(CO)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272351640 432487167 /nfs/dbraw/zinc/48/71/67/432487167.db2.gz QRCUKIQVQYIPDI-OAQYLSRUSA-N 2 1 324.468 3.133 20 0 DGADMP C[NH+](Cc1ccc(CO)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272351640 432487171 /nfs/dbraw/zinc/48/71/71/432487171.db2.gz QRCUKIQVQYIPDI-OAQYLSRUSA-N 2 1 324.468 3.133 20 0 DGADMP C[NH+](Cc1ccc(CO)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272351640 432487173 /nfs/dbraw/zinc/48/71/73/432487173.db2.gz QRCUKIQVQYIPDI-OAQYLSRUSA-N 2 1 324.468 3.133 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272369553 432488894 /nfs/dbraw/zinc/48/88/94/432488894.db2.gz GIGVIVQZDQARHQ-ZIFCJYIRSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272369553 432488896 /nfs/dbraw/zinc/48/88/96/432488896.db2.gz GIGVIVQZDQARHQ-ZIFCJYIRSA-N 2 1 304.478 3.180 20 0 DGADMP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380162 432490924 /nfs/dbraw/zinc/49/09/24/432490924.db2.gz BQRHKOUKCSZRIY-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380156 432491034 /nfs/dbraw/zinc/49/10/34/432491034.db2.gz BQRHKOUKCSZRIY-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]21 ZINC000262572425 432491848 /nfs/dbraw/zinc/49/18/48/432491848.db2.gz XPYWZWRAGZSHBJ-BPLDGKMQSA-N 2 1 314.351 3.144 20 0 DGADMP Cc1nccn1CCCC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154404177 432495830 /nfs/dbraw/zinc/49/58/30/432495830.db2.gz AQHWUVYLSJIOEO-UHFFFAOYSA-N 2 1 309.454 3.024 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154404177 432495840 /nfs/dbraw/zinc/49/58/40/432495840.db2.gz AQHWUVYLSJIOEO-UHFFFAOYSA-N 2 1 309.454 3.024 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272422055 432499251 /nfs/dbraw/zinc/49/92/51/432499251.db2.gz OACCQDDVSQFNOZ-HAGHYFMRSA-N 2 1 316.489 3.323 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000154449218 432499260 /nfs/dbraw/zinc/49/92/60/432499260.db2.gz WHLYEAVDGSYPAD-IBGZPJMESA-N 2 1 317.521 3.372 20 0 DGADMP C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443201 432501751 /nfs/dbraw/zinc/50/17/51/432501751.db2.gz UITMCAUYKLKACN-GEALJGNFSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443201 432501761 /nfs/dbraw/zinc/50/17/61/432501761.db2.gz UITMCAUYKLKACN-GEALJGNFSA-N 2 1 324.472 3.266 20 0 DGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272441466 432501934 /nfs/dbraw/zinc/50/19/34/432501934.db2.gz ITUMWPQKEXTWMF-HKUYNNGSSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441466 432501937 /nfs/dbraw/zinc/50/19/37/432501937.db2.gz ITUMWPQKEXTWMF-HKUYNNGSSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443209 432502436 /nfs/dbraw/zinc/50/24/36/432502436.db2.gz UITMCAUYKLKACN-QLIIJSOBSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443209 432502443 /nfs/dbraw/zinc/50/24/43/432502443.db2.gz UITMCAUYKLKACN-QLIIJSOBSA-N 2 1 324.472 3.266 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000154517135 432504604 /nfs/dbraw/zinc/50/46/04/432504604.db2.gz CTBZMSZKEDEBSX-IBGZPJMESA-N 2 1 317.521 3.372 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261953465 432464182 /nfs/dbraw/zinc/46/41/82/432464182.db2.gz NOWBAGKQAIWMFY-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272236936 432466631 /nfs/dbraw/zinc/46/66/31/432466631.db2.gz VSBBZCJNAQXPQS-PBHICJAKSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272236936 432466635 /nfs/dbraw/zinc/46/66/35/432466635.db2.gz VSBBZCJNAQXPQS-PBHICJAKSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272236940 432467110 /nfs/dbraw/zinc/46/71/10/432467110.db2.gz VSBBZCJNAQXPQS-WMLDXEAASA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272236940 432467116 /nfs/dbraw/zinc/46/71/16/432467116.db2.gz VSBBZCJNAQXPQS-WMLDXEAASA-N 2 1 315.486 3.452 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(C(C)C)c(C)c2)C1 ZINC000261995152 432467174 /nfs/dbraw/zinc/46/71/74/432467174.db2.gz UFVZMNINLMTAHI-QGZVFWFLSA-N 2 1 304.478 3.429 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000194420728 432549730 /nfs/dbraw/zinc/54/97/30/432549730.db2.gz SUFNOGPALKKLIP-CYBMUJFWSA-N 2 1 305.447 3.177 20 0 DGADMP COC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969113 432513900 /nfs/dbraw/zinc/51/39/00/432513900.db2.gz SULYSRJFEQMTAK-DYVFJYSZSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969113 432513902 /nfs/dbraw/zinc/51/39/02/432513902.db2.gz SULYSRJFEQMTAK-DYVFJYSZSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969113 432513906 /nfs/dbraw/zinc/51/39/06/432513906.db2.gz SULYSRJFEQMTAK-DYVFJYSZSA-N 2 1 308.853 3.101 20 0 DGADMP CCCCOc1ncccc1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000154747312 432518869 /nfs/dbraw/zinc/51/88/69/432518869.db2.gz PBBKYTDBQVREHX-RDJZCZTQSA-N 2 1 305.466 3.080 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000154847646 432524567 /nfs/dbraw/zinc/52/45/67/432524567.db2.gz DQKIAUWGGPOEPM-WMZOPIPTSA-N 2 1 304.478 3.336 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000154860690 432524786 /nfs/dbraw/zinc/52/47/86/432524786.db2.gz FOTYJWNLLDVCJR-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154844592 432524976 /nfs/dbraw/zinc/52/49/76/432524976.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 3 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154844592 432524980 /nfs/dbraw/zinc/52/49/80/432524980.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154844592 432524982 /nfs/dbraw/zinc/52/49/82/432524982.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000154844592 432524986 /nfs/dbraw/zinc/52/49/86/432524986.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000154844592 432524987 /nfs/dbraw/zinc/52/49/87/432524987.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154844592 432524991 /nfs/dbraw/zinc/52/49/91/432524991.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154844592 432524992 /nfs/dbraw/zinc/52/49/92/432524992.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154844592 432524995 /nfs/dbraw/zinc/52/49/95/432524995.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154844592 432524997 /nfs/dbraw/zinc/52/49/97/432524997.db2.gz VMFAPEFZCBEWSQ-QFBILLFUSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)OC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000186558684 432607270 /nfs/dbraw/zinc/60/72/70/432607270.db2.gz SQLXZAQSYVIETI-UHFFFAOYSA-N 2 1 316.489 3.239 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000155937012 432581575 /nfs/dbraw/zinc/58/15/75/432581575.db2.gz XVQIWUNAOZVELX-CQSZACIVSA-N 2 1 310.401 3.272 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000273398146 432593809 /nfs/dbraw/zinc/59/38/09/432593809.db2.gz FZSLVQKMPHNUPJ-DQEVTTJGSA-N 2 1 320.452 3.366 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000186479649 432598862 /nfs/dbraw/zinc/59/88/62/432598862.db2.gz LFPNJPJVLRDJKJ-HNNXBMFYSA-N 2 1 313.445 3.384 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(F)F)c3)CC[C@@H]21 ZINC000158483063 432645838 /nfs/dbraw/zinc/64/58/38/432645838.db2.gz JVWGSOYTMUILGI-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CC[C@@H]21 ZINC000158483063 432645841 /nfs/dbraw/zinc/64/58/41/432645841.db2.gz JVWGSOYTMUILGI-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CC[C@@H]21 ZINC000158483063 432645842 /nfs/dbraw/zinc/64/58/42/432645842.db2.gz JVWGSOYTMUILGI-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cccnc3CC2)CCCCC1 ZINC000421817947 282045200 /nfs/dbraw/zinc/04/52/00/282045200.db2.gz YDCKTICOOPOHLX-QGZVFWFLSA-N 2 1 301.478 3.183 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCCOCCc2ccccc2)CC1 ZINC000158879283 432660005 /nfs/dbraw/zinc/66/00/05/432660005.db2.gz AXNQMNGKHNEHMJ-UHFFFAOYSA-N 2 1 304.478 3.052 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCCOCCc2ccccc2)CC1 ZINC000158879283 432660008 /nfs/dbraw/zinc/66/00/08/432660008.db2.gz AXNQMNGKHNEHMJ-UHFFFAOYSA-N 2 1 304.478 3.052 20 0 DGADMP Cn1ncc(Cl)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000187397437 432662173 /nfs/dbraw/zinc/66/21/73/432662173.db2.gz KACOBNKHUYLALS-UHFFFAOYSA-N 2 1 324.900 3.162 20 0 DGADMP CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC)C2)cc1OCC ZINC000177837753 432666963 /nfs/dbraw/zinc/66/69/63/432666963.db2.gz XNCBJOYIUBYDTA-QGZVFWFLSA-N 2 1 320.477 3.258 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CCCn2cc[nH+]c2C)cc1F ZINC000274640814 432694087 /nfs/dbraw/zinc/69/40/87/432694087.db2.gz JYXROLQIXAFQJO-AWEZNQCLSA-N 2 1 319.424 3.198 20 0 DGADMP C[C@H]1C[C@H](NCc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102119 432694967 /nfs/dbraw/zinc/69/49/67/432694967.db2.gz MWHYLSRLYDSDEV-WMLDXEAASA-N 2 1 318.461 3.214 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCN1C ZINC000178102119 432694972 /nfs/dbraw/zinc/69/49/72/432694972.db2.gz MWHYLSRLYDSDEV-WMLDXEAASA-N 2 1 318.461 3.214 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000178148851 432700293 /nfs/dbraw/zinc/70/02/93/432700293.db2.gz XIGBHTXPEOYISX-TZMCWYRMSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188290309 432716252 /nfs/dbraw/zinc/71/62/52/432716252.db2.gz PMZBYSKBCRVGKK-GHTZIAJQSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290309 432716264 /nfs/dbraw/zinc/71/62/64/432716264.db2.gz PMZBYSKBCRVGKK-GHTZIAJQSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188290309 432716266 /nfs/dbraw/zinc/71/62/66/432716266.db2.gz PMZBYSKBCRVGKK-GHTZIAJQSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188290309 432716270 /nfs/dbraw/zinc/71/62/70/432716270.db2.gz PMZBYSKBCRVGKK-GHTZIAJQSA-N 2 1 324.468 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188290309 432716274 /nfs/dbraw/zinc/71/62/74/432716274.db2.gz PMZBYSKBCRVGKK-GHTZIAJQSA-N 2 1 324.468 3.316 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc2ccccc12 ZINC000228078342 432717219 /nfs/dbraw/zinc/71/72/19/432717219.db2.gz SKUNYTGTZBYIRF-DGCLKSJQSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc2ccccc12 ZINC000228078342 432717223 /nfs/dbraw/zinc/71/72/23/432717223.db2.gz SKUNYTGTZBYIRF-DGCLKSJQSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000228696249 432719088 /nfs/dbraw/zinc/71/90/88/432719088.db2.gz FESVWZXRWHNSFS-DOMZBBRYSA-N 2 1 311.267 3.187 20 0 DGADMP C[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274937807 432720695 /nfs/dbraw/zinc/72/06/95/432720695.db2.gz SKONAIZZTNIGAP-JRGCBEDISA-N 2 1 324.468 3.220 20 0 DGADMP C[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937807 432720698 /nfs/dbraw/zinc/72/06/98/432720698.db2.gz SKONAIZZTNIGAP-JRGCBEDISA-N 2 1 324.468 3.220 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178335686 432722703 /nfs/dbraw/zinc/72/27/03/432722703.db2.gz TVBQEJLSIGMFBU-JENIJYKNSA-N 2 1 304.478 3.444 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178335686 432722705 /nfs/dbraw/zinc/72/27/05/432722705.db2.gz TVBQEJLSIGMFBU-JENIJYKNSA-N 2 1 304.478 3.444 20 0 DGADMP CCn1nc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000274475884 432672882 /nfs/dbraw/zinc/67/28/82/432672882.db2.gz WQTNNWGUQNAIME-MRXNPFEDSA-N 2 1 314.477 3.266 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CCCS2 ZINC000187708794 432677711 /nfs/dbraw/zinc/67/77/11/432677711.db2.gz PKUPNQJCIHDEOB-MRXNPFEDSA-N 2 1 306.475 3.306 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1C ZINC000178522928 432747286 /nfs/dbraw/zinc/74/72/86/432747286.db2.gz BABPOYCEBJDAKK-KRWDZBQOSA-N 2 1 304.478 3.109 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000178414190 432733068 /nfs/dbraw/zinc/73/30/68/432733068.db2.gz JDPUTFAJEKWJHP-QGZVFWFLSA-N 2 1 312.461 3.068 20 0 DGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275678985 432739150 /nfs/dbraw/zinc/73/91/50/432739150.db2.gz WETMZMNNUCRMSE-CABCVRRESA-N 2 1 301.409 3.196 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1sccc1Br ZINC000275773050 432746676 /nfs/dbraw/zinc/74/66/76/432746676.db2.gz ZEMCVEMNBBUMMO-CMPLNLGQSA-N 2 1 317.296 3.283 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000276609828 432823119 /nfs/dbraw/zinc/82/31/19/432823119.db2.gz HECJRAJNIWMLJS-ZDUSSCGKSA-N 2 1 323.278 3.232 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)CC1 ZINC000277056899 432829297 /nfs/dbraw/zinc/82/92/97/432829297.db2.gz CVCNQRKUCXMYDJ-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162874443 432836530 /nfs/dbraw/zinc/83/65/30/432836530.db2.gz SMDBYFGSWHARBJ-BBWFWOEESA-N 2 1 320.477 3.235 20 0 DGADMP C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178973051 432791646 /nfs/dbraw/zinc/79/16/46/432791646.db2.gz ZYSRTRNKHUOFIU-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CC2CC[NH2+]CC2)cc1 ZINC000178975366 432792308 /nfs/dbraw/zinc/79/23/08/432792308.db2.gz RUXSYDMKGGDHIF-FQEVSTJZSA-N 2 1 316.489 3.018 20 0 DGADMP C[C@H](C[NH2+]Cc1cccc2c1OC(C)(C)C2)C[NH+]1CCCC1 ZINC000237551294 432792854 /nfs/dbraw/zinc/79/28/54/432792854.db2.gz PSBQZEMMJDTVPO-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c1 ZINC000277324293 432838455 /nfs/dbraw/zinc/83/84/55/432838455.db2.gz CGMGHUATEGAUBV-HNNXBMFYSA-N 2 1 302.418 3.358 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c1 ZINC000277324293 432838458 /nfs/dbraw/zinc/83/84/58/432838458.db2.gz CGMGHUATEGAUBV-HNNXBMFYSA-N 2 1 302.418 3.358 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000161722241 432795609 /nfs/dbraw/zinc/79/56/09/432795609.db2.gz FLZSMFNBWHJFTA-UHFFFAOYSA-N 2 1 300.450 3.040 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCN(C)c1ccccc1 ZINC000161722241 432795614 /nfs/dbraw/zinc/79/56/14/432795614.db2.gz FLZSMFNBWHJFTA-UHFFFAOYSA-N 2 1 300.450 3.040 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000161932156 432804960 /nfs/dbraw/zinc/80/49/60/432804960.db2.gz NADQKDWYLNUASB-IBGZPJMESA-N 2 1 316.489 3.194 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000161948239 432805906 /nfs/dbraw/zinc/80/59/06/432805906.db2.gz FXZGCQZLLAYKQN-GOEBONIOSA-N 2 1 315.486 3.425 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000238015875 432809688 /nfs/dbraw/zinc/80/96/88/432809688.db2.gz XJJPBBFWTHGBEZ-NRFANRHFSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000245763357 432861849 /nfs/dbraw/zinc/86/18/49/432861849.db2.gz VYWTXURMWSLZOY-YRPNKDGESA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000245763348 432861855 /nfs/dbraw/zinc/86/18/55/432861855.db2.gz VYWTXURMWSLZOY-HAGHYFMRSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2ccccn2)C3)cc1 ZINC000245786304 432863157 /nfs/dbraw/zinc/86/31/57/432863157.db2.gz ZPTQAHOSTXLMIR-WKCHPHFGSA-N 2 1 321.468 3.409 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245878505 432867594 /nfs/dbraw/zinc/86/75/94/432867594.db2.gz KKNFVLQYIVCPMA-BRSBDYLESA-N 2 1 308.510 3.292 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000296200125 432882889 /nfs/dbraw/zinc/88/28/89/432882889.db2.gz YYBAXIKBNLKZSP-CWRNSKLLSA-N 2 1 305.853 3.329 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000296200125 432882891 /nfs/dbraw/zinc/88/28/91/432882891.db2.gz YYBAXIKBNLKZSP-CWRNSKLLSA-N 2 1 305.853 3.329 20 0 DGADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120488 432847212 /nfs/dbraw/zinc/84/72/12/432847212.db2.gz NOPKZMOQUTWNCZ-QRQLOZEOSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000245580126 432847711 /nfs/dbraw/zinc/84/77/11/432847711.db2.gz CDWCYHBDXNNSRA-CEXWTWQISA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245580126 432847715 /nfs/dbraw/zinc/84/77/15/432847715.db2.gz CDWCYHBDXNNSRA-CEXWTWQISA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245580126 432847717 /nfs/dbraw/zinc/84/77/17/432847717.db2.gz CDWCYHBDXNNSRA-CEXWTWQISA-N 2 1 307.526 3.057 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000163279051 432848549 /nfs/dbraw/zinc/84/85/49/432848549.db2.gz YKUGPTYJVVTXKE-NVXWUHKLSA-N 2 1 300.446 3.364 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263336 432848751 /nfs/dbraw/zinc/84/87/51/432848751.db2.gz AQUYEKSNSKVHNO-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263336 432848754 /nfs/dbraw/zinc/84/87/54/432848754.db2.gz AQUYEKSNSKVHNO-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000163368492 432850613 /nfs/dbraw/zinc/85/06/13/432850613.db2.gz MLPYVDVWEPNRTB-AOIWGVFYSA-N 2 1 304.478 3.474 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000163364834 432851066 /nfs/dbraw/zinc/85/10/66/432851066.db2.gz JAMGVXFFUWAPQP-KYJSFNMBSA-N 2 1 321.896 3.239 20 0 DGADMP CCCC[N@@H+](C)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000163501305 432854825 /nfs/dbraw/zinc/85/48/25/432854825.db2.gz XMLAJXULDVUYLN-UHFFFAOYSA-N 2 1 317.521 3.015 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245707725 432858099 /nfs/dbraw/zinc/85/80/99/432858099.db2.gz MUYKXIURSCQHAS-XCZFOBESSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000279038477 432928223 /nfs/dbraw/zinc/92/82/23/432928223.db2.gz WZMONPZVHYNAPT-CHWSQXEVSA-N 2 1 304.463 3.376 20 0 DGADMP CCOC1CC(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C1 ZINC000289363216 432949663 /nfs/dbraw/zinc/94/96/63/432949663.db2.gz JBKCIISKTIACOM-UHFFFAOYSA-N 2 1 304.434 3.048 20 0 DGADMP Cc1cccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c1F ZINC000296423269 432906424 /nfs/dbraw/zinc/90/64/24/432906424.db2.gz MTUUZMHKEZHMHB-UHFFFAOYSA-N 2 1 316.420 3.364 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000278882807 432912986 /nfs/dbraw/zinc/91/29/86/432912986.db2.gz CSQHYBZUUWWMRG-UONOGXRCSA-N 2 1 316.424 3.001 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296546347 432920977 /nfs/dbraw/zinc/92/09/77/432920977.db2.gz RFGGQGJOABINFA-IAYQEVDDSA-N 2 1 304.409 3.036 20 0 DGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000278963705 432921772 /nfs/dbraw/zinc/92/17/72/432921772.db2.gz MRGVEJOEEZXXBX-WCQYABFASA-N 2 1 304.463 3.124 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290158946 433004338 /nfs/dbraw/zinc/00/43/38/433004338.db2.gz LVUAVLMGEXKMCR-HOJAQTOUSA-N 2 1 316.489 3.303 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000290173919 433007065 /nfs/dbraw/zinc/00/70/65/433007065.db2.gz MYNGQRLMESRCFI-RHSMWYFYSA-N 2 1 318.440 3.348 20 0 DGADMP CC(C)(C)Oc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000332463357 433007945 /nfs/dbraw/zinc/00/79/45/433007945.db2.gz PYDULTPGNHLCIA-UHFFFAOYSA-N 2 1 314.433 3.362 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC[N@@H+]1C ZINC000290267651 433023048 /nfs/dbraw/zinc/02/30/48/433023048.db2.gz VWVKYRMFPYBMOD-SZVBFZGTSA-N 2 1 314.473 3.153 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC[N@H+]1C ZINC000290267651 433023053 /nfs/dbraw/zinc/02/30/53/433023053.db2.gz VWVKYRMFPYBMOD-SZVBFZGTSA-N 2 1 314.473 3.153 20 0 DGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290342377 433033847 /nfs/dbraw/zinc/03/38/47/433033847.db2.gz FNJBZPUIMCJDBU-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290342377 433033850 /nfs/dbraw/zinc/03/38/50/433033850.db2.gz FNJBZPUIMCJDBU-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000290342377 433033853 /nfs/dbraw/zinc/03/38/53/433033853.db2.gz FNJBZPUIMCJDBU-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000290342377 433033855 /nfs/dbraw/zinc/03/38/55/433033855.db2.gz FNJBZPUIMCJDBU-DOTOQJQBSA-N 2 1 320.477 3.256 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1(O)CCC1 ZINC000341363725 433038692 /nfs/dbraw/zinc/03/86/92/433038692.db2.gz HJXUQWWPBARREN-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000341405494 433049733 /nfs/dbraw/zinc/04/97/33/433049733.db2.gz ONEATMDLRIJHAB-QGZVFWFLSA-N 2 1 306.498 3.230 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000341405494 433049735 /nfs/dbraw/zinc/04/97/35/433049735.db2.gz ONEATMDLRIJHAB-QGZVFWFLSA-N 2 1 306.498 3.230 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456432 433057305 /nfs/dbraw/zinc/05/73/05/433057305.db2.gz MTDYGILGTJIAPW-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456432 433057315 /nfs/dbraw/zinc/05/73/15/433057315.db2.gz MTDYGILGTJIAPW-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456432 433057323 /nfs/dbraw/zinc/05/73/23/433057323.db2.gz MTDYGILGTJIAPW-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456432 433057329 /nfs/dbraw/zinc/05/73/29/433057329.db2.gz MTDYGILGTJIAPW-DZGCQCFKSA-N 2 1 317.458 3.319 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OCC ZINC000290512692 433074547 /nfs/dbraw/zinc/07/45/47/433074547.db2.gz PPLYRSLVSXOTMR-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000290512692 433074553 /nfs/dbraw/zinc/07/45/53/433074553.db2.gz PPLYRSLVSXOTMR-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000290512692 433074566 /nfs/dbraw/zinc/07/45/66/433074566.db2.gz PPLYRSLVSXOTMR-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000290512692 433074574 /nfs/dbraw/zinc/07/45/74/433074574.db2.gz PPLYRSLVSXOTMR-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CN(C)C[C@@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000350124561 433086627 /nfs/dbraw/zinc/08/66/27/433086627.db2.gz BDARNCNTYSQNLI-HXUWFJFHSA-N 2 1 324.468 3.081 20 0 DGADMP CN(C)C[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000350124561 433086639 /nfs/dbraw/zinc/08/66/39/433086639.db2.gz BDARNCNTYSQNLI-HXUWFJFHSA-N 2 1 324.468 3.081 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453321130 433092052 /nfs/dbraw/zinc/09/20/52/433092052.db2.gz NSUBXEBIZJNNAA-YQYZPQCESA-N 2 1 324.896 3.388 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350273133 433123227 /nfs/dbraw/zinc/12/32/27/433123227.db2.gz ZITMYOXROZGTFR-FUHWJXTLSA-N 2 1 317.477 3.045 20 0 DGADMP CCCC1CCC(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000373219252 433133077 /nfs/dbraw/zinc/13/30/77/433133077.db2.gz WHIBVVKIKPSWFX-MHJFOBGBSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388633 433143148 /nfs/dbraw/zinc/14/31/48/433143148.db2.gz BTYGFLBFIOOOHH-HNNXBMFYSA-N 2 1 314.477 3.348 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453387252 433144344 /nfs/dbraw/zinc/14/43/44/433144344.db2.gz BBDDLYGMPOCEDR-AWEZNQCLSA-N 2 1 303.450 3.170 20 0 DGADMP COC(=O)c1cc2cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc2o1 ZINC000420292544 433147268 /nfs/dbraw/zinc/14/72/68/433147268.db2.gz POHWDSMEPXLXCB-HNNXBMFYSA-N 2 1 318.417 3.025 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000420299459 433147844 /nfs/dbraw/zinc/14/78/44/433147844.db2.gz GOTJBTVPKOWKPF-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000420295279 433148295 /nfs/dbraw/zinc/14/82/95/433148295.db2.gz CCWRFYHQDHEDRU-BPQIPLTHSA-N 2 1 320.502 3.098 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000420295952 433148731 /nfs/dbraw/zinc/14/87/31/433148731.db2.gz BGAWSQJEJNRGQQ-FXAWDEMLSA-N 2 1 310.441 3.357 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H]2CCc3ccccc3C2)cc1 ZINC000420305853 433152311 /nfs/dbraw/zinc/15/23/11/433152311.db2.gz QCKNRDGEOVIUKF-UXHICEINSA-N 2 1 324.468 3.227 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@H](C)C1 ZINC000290572934 433100881 /nfs/dbraw/zinc/10/08/81/433100881.db2.gz FIXIJODVOBPTHN-CRAIPNDOSA-N 2 1 302.462 3.047 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420300092 433153801 /nfs/dbraw/zinc/15/38/01/433153801.db2.gz HCQAZYAIVOKRQA-ACRUOGEOSA-N 2 1 324.468 3.063 20 0 DGADMP COC1(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CCCC1 ZINC000447084244 433159053 /nfs/dbraw/zinc/15/90/53/433159053.db2.gz FBJNWWMLKAQVBD-UHFFFAOYSA-N 2 1 304.434 3.192 20 0 DGADMP CC(C)c1csc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311009 433160657 /nfs/dbraw/zinc/16/06/57/433160657.db2.gz GNCRGRARZLLALQ-GJZGRUSLSA-N 2 1 307.507 3.446 20 0 DGADMP c1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC2CCOCC2)cc1 ZINC000420312851 433160717 /nfs/dbraw/zinc/16/07/17/433160717.db2.gz XKFJTLJJAPOUDC-GOSISDBHSA-N 2 1 316.489 3.305 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000420318756 433160802 /nfs/dbraw/zinc/16/08/02/433160802.db2.gz OSZSUGJCOMOYLU-OAHLLOKOSA-N 2 1 316.470 3.464 20 0 DGADMP CC[N@@H+](CCOc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420318078 433161663 /nfs/dbraw/zinc/16/16/63/433161663.db2.gz VPVHVWVHSPDVCG-CYBMUJFWSA-N 2 1 314.832 3.322 20 0 DGADMP Fc1ccccc1CSCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298504993 433162264 /nfs/dbraw/zinc/16/22/64/433162264.db2.gz QPWPAAOMTFERKV-UHFFFAOYSA-N 2 1 308.466 3.275 20 0 DGADMP c1cc(C[N@H+](CC[C@@H]2CCCO2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420317544 433162536 /nfs/dbraw/zinc/16/25/36/433162536.db2.gz VAWFCHHNQLNASI-DLBZAZTESA-N 2 1 320.502 3.261 20 0 DGADMP c1csc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420315975 433162715 /nfs/dbraw/zinc/16/27/15/433162715.db2.gz MBCROZPZVADNKY-CVEARBPZSA-N 2 1 308.491 3.119 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@@H]1SC ZINC000298515263 433163343 /nfs/dbraw/zinc/16/33/43/433163343.db2.gz RDKQYVDVCZLVGU-KURKYZTESA-N 2 1 322.518 3.137 20 0 DGADMP c1ccc2sc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420323616 433164112 /nfs/dbraw/zinc/16/41/12/433164112.db2.gz GJPFACFNUBZLOJ-KGLIPLIRSA-N 2 1 301.459 3.118 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000420323777 433165325 /nfs/dbraw/zinc/16/53/25/433165325.db2.gz UIZVEHIAILMANA-AEFFLSMTSA-N 2 1 304.478 3.338 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410964 433166815 /nfs/dbraw/zinc/16/68/15/433166815.db2.gz HFSMJNUICLSOQE-OAHLLOKOSA-N 2 1 318.461 3.200 20 0 DGADMP c1cc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)co1 ZINC000420325001 433167359 /nfs/dbraw/zinc/16/73/59/433167359.db2.gz HTOPCVLUWATARL-ZIAGYGMSSA-N 2 1 317.458 3.225 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)nc2C)C[C@@H]1C ZINC000447177294 433168359 /nfs/dbraw/zinc/16/83/59/433168359.db2.gz NCEXOHJCIIIENU-DZGCQCFKSA-N 2 1 304.438 3.035 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000453419506 433171214 /nfs/dbraw/zinc/17/12/14/433171214.db2.gz JOCSDPLSJUQGSP-INIZCTEOSA-N 2 1 312.461 3.397 20 0 DGADMP CC(C)(C)c1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298538279 433171564 /nfs/dbraw/zinc/17/15/64/433171564.db2.gz STOMERXRSGGDFO-LJQANCHMSA-N 2 1 316.489 3.234 20 0 DGADMP c1csc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000420337333 433171742 /nfs/dbraw/zinc/17/17/42/433171742.db2.gz WTTIMUJRFCGMSO-KGLIPLIRSA-N 2 1 317.458 3.225 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)C1CCCCC1 ZINC000420361130 433174237 /nfs/dbraw/zinc/17/42/37/433174237.db2.gz HUVJOCSQVIHCID-HNNXBMFYSA-N 2 1 314.832 3.355 20 0 DGADMP COC(C)(C)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336706293 433176225 /nfs/dbraw/zinc/17/62/25/433176225.db2.gz IMRYDFOZCDNBNU-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP COC(C)(C)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336706293 433176235 /nfs/dbraw/zinc/17/62/35/433176235.db2.gz IMRYDFOZCDNBNU-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP COC(C)(C)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336706293 433176243 /nfs/dbraw/zinc/17/62/43/433176243.db2.gz IMRYDFOZCDNBNU-GOSISDBHSA-N 2 1 304.478 3.255 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000420360973 433178870 /nfs/dbraw/zinc/17/88/70/433178870.db2.gz MSFXOEGEYXWEOE-DZGCQCFKSA-N 2 1 307.507 3.404 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000420361646 433180665 /nfs/dbraw/zinc/18/06/65/433180665.db2.gz MHHLEXSYGNBCPB-CQSZACIVSA-N 2 1 318.383 3.437 20 0 DGADMP COc1ccc(C[N@H+](C[C@@H](C)[NH3+])C2CCCCC2)cc1OC ZINC000420370578 433181069 /nfs/dbraw/zinc/18/10/69/433181069.db2.gz JPYMTPVCFKCGDO-CQSZACIVSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H](C)[NH3+])C2CCCCC2)cc1OC ZINC000420370578 433181084 /nfs/dbraw/zinc/18/10/84/433181084.db2.gz JPYMTPVCFKCGDO-CQSZACIVSA-N 2 1 306.450 3.186 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420367642 433181945 /nfs/dbraw/zinc/18/19/45/433181945.db2.gz HHGYMRRXUJVOMF-MRXNPFEDSA-N 2 1 302.462 3.223 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420367543 433183618 /nfs/dbraw/zinc/18/36/18/433183618.db2.gz GYJINASUDSZTGN-DZGCQCFKSA-N 2 1 312.379 3.494 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CCC1CC[NH2+]CC1)CC(=O)OC ZINC000420366583 433184086 /nfs/dbraw/zinc/18/40/86/433184086.db2.gz GFEVCUODJJKGBA-GOSISDBHSA-N 2 1 318.461 3.002 20 0 DGADMP C[N@H+](C[C@H]1CCCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336712404 433184491 /nfs/dbraw/zinc/18/44/91/433184491.db2.gz MOEDMBHZRZUXSK-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@H]1CCCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336712404 433184497 /nfs/dbraw/zinc/18/44/97/433184497.db2.gz MOEDMBHZRZUXSK-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000298578093 433185505 /nfs/dbraw/zinc/18/55/05/433185505.db2.gz XMLAUGRYQMSAJP-UHFFFAOYSA-N 2 1 320.506 3.402 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000298578093 433185516 /nfs/dbraw/zinc/18/55/16/433185516.db2.gz XMLAUGRYQMSAJP-UHFFFAOYSA-N 2 1 320.506 3.402 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000290840745 433186245 /nfs/dbraw/zinc/18/62/45/433186245.db2.gz IUQNYJNEZUUUGV-UHFFFAOYSA-N 2 1 323.444 3.088 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420378968 433188186 /nfs/dbraw/zinc/18/81/86/433188186.db2.gz UUXJPVKEASUELL-VKJFTORMSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420378968 433188198 /nfs/dbraw/zinc/18/81/98/433188198.db2.gz UUXJPVKEASUELL-VKJFTORMSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420381555 433190859 /nfs/dbraw/zinc/19/08/59/433190859.db2.gz XVDUKRPBVBQCOZ-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420381555 433190866 /nfs/dbraw/zinc/19/08/66/433190866.db2.gz XVDUKRPBVBQCOZ-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000420386517 433193360 /nfs/dbraw/zinc/19/33/60/433193360.db2.gz UVTGXIYOTBWICZ-YVEFUNNKSA-N 2 1 302.462 3.231 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@@H]1C[NH3+] ZINC000420396017 433198704 /nfs/dbraw/zinc/19/87/04/433198704.db2.gz DXOBYJSDBDCEIO-RDJZCZTQSA-N 2 1 311.429 3.291 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425363805 433199899 /nfs/dbraw/zinc/19/98/99/433199899.db2.gz WTFKUSOHKOODSX-KSZLIROESA-N 2 1 322.518 3.180 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425363805 433199908 /nfs/dbraw/zinc/19/99/08/433199908.db2.gz WTFKUSOHKOODSX-KSZLIROESA-N 2 1 322.518 3.180 20 0 DGADMP Cn1c(C[NH2+]CCCC[N@@H+](C)C2CC2)nc2cc(Cl)ccc21 ZINC000453597851 433226180 /nfs/dbraw/zinc/22/61/80/433226180.db2.gz OMTUWCGBDQTTPI-UHFFFAOYSA-N 2 1 320.868 3.191 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(F)c2cccnc12)C1CC1 ZINC000453598725 433228301 /nfs/dbraw/zinc/22/83/01/433228301.db2.gz QAVLSSDDFCYNEY-UHFFFAOYSA-N 2 1 301.409 3.338 20 0 DGADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413984 433228452 /nfs/dbraw/zinc/22/84/52/433228452.db2.gz CYGBHFYFKMHGGQ-PWIZWCRZSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413984 433228462 /nfs/dbraw/zinc/22/84/62/433228462.db2.gz CYGBHFYFKMHGGQ-PWIZWCRZSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413984 433228475 /nfs/dbraw/zinc/22/84/75/433228475.db2.gz CYGBHFYFKMHGGQ-PWIZWCRZSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000425413984 433228485 /nfs/dbraw/zinc/22/84/85/433228485.db2.gz CYGBHFYFKMHGGQ-PWIZWCRZSA-N 2 1 316.489 3.396 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000337493010 433237980 /nfs/dbraw/zinc/23/79/80/433237980.db2.gz XDYSVLFVSHNLBI-XHSDSOJGSA-N 2 1 308.466 3.436 20 0 DGADMP C[C@@H](C[N@H+]1CCn2cncc2C1)c1cccc(Br)c1 ZINC000291470959 433246202 /nfs/dbraw/zinc/24/62/02/433246202.db2.gz DTKSFHCKNVKGBE-LBPRGKRZSA-N 2 1 320.234 3.265 20 0 DGADMP C[C@@H](CN1CCn2cncc2C1)c1cccc(Br)c1 ZINC000291470959 433246205 /nfs/dbraw/zinc/24/62/05/433246205.db2.gz DTKSFHCKNVKGBE-LBPRGKRZSA-N 2 1 320.234 3.265 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479685 433260844 /nfs/dbraw/zinc/26/08/44/433260844.db2.gz QHAYHKXVAWVXRO-SJORKVTESA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479685 433260851 /nfs/dbraw/zinc/26/08/51/433260851.db2.gz QHAYHKXVAWVXRO-SJORKVTESA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479685 433260858 /nfs/dbraw/zinc/26/08/58/433260858.db2.gz QHAYHKXVAWVXRO-SJORKVTESA-N 2 1 324.509 3.447 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1CN1CCOCC1 ZINC000420916726 433314140 /nfs/dbraw/zinc/31/41/40/433314140.db2.gz PGJGFWLVVHIQGH-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916726 433314143 /nfs/dbraw/zinc/31/41/43/433314143.db2.gz PGJGFWLVVHIQGH-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420916726 433314146 /nfs/dbraw/zinc/31/41/46/433314146.db2.gz PGJGFWLVVHIQGH-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP c1ccc([C@H]2CC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000420916291 433314180 /nfs/dbraw/zinc/31/41/80/433314180.db2.gz OFUXFYHFEBMPJS-OAQYLSRUSA-N 2 1 322.452 3.466 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420916341 433314379 /nfs/dbraw/zinc/31/43/79/433314379.db2.gz HHIQOSXVTHLFSH-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916341 433314387 /nfs/dbraw/zinc/31/43/87/433314387.db2.gz HHIQOSXVTHLFSH-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916341 433314394 /nfs/dbraw/zinc/31/43/94/433314394.db2.gz HHIQOSXVTHLFSH-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000420915252 433315377 /nfs/dbraw/zinc/31/53/77/433315377.db2.gz LCYAJXSCRJULJY-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000420915252 433315388 /nfs/dbraw/zinc/31/53/88/433315388.db2.gz LCYAJXSCRJULJY-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000420915252 433315398 /nfs/dbraw/zinc/31/53/98/433315398.db2.gz LCYAJXSCRJULJY-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291709236 433320428 /nfs/dbraw/zinc/32/04/28/433320428.db2.gz LCCSQZULESLVKR-OAHLLOKOSA-N 2 1 313.445 3.045 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000350892854 433321714 /nfs/dbraw/zinc/32/17/14/433321714.db2.gz FCTPMUBVPGCBRZ-MISYRCLQSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000350892854 433321723 /nfs/dbraw/zinc/32/17/23/433321723.db2.gz FCTPMUBVPGCBRZ-MISYRCLQSA-N 2 1 316.489 3.039 20 0 DGADMP Cc1sccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000350740986 433272985 /nfs/dbraw/zinc/27/29/85/433272985.db2.gz BSCIFYLRVPYMKE-GASCZTMLSA-N 2 1 322.518 3.378 20 0 DGADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](C)C[C@H]3C)COC2)[C@H](C)C1 ZINC000425522043 433280540 /nfs/dbraw/zinc/28/05/40/433280540.db2.gz LKKGYJQQOKPVFG-BRSBDYLESA-N 2 1 308.510 3.244 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000354823936 433297882 /nfs/dbraw/zinc/29/78/82/433297882.db2.gz YUBHOKYDQLRYQV-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000341866666 433325937 /nfs/dbraw/zinc/32/59/37/433325937.db2.gz VFCBNQKAISLMGG-SJLPKXTDSA-N 2 1 312.461 3.397 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000341837938 433307564 /nfs/dbraw/zinc/30/75/64/433307564.db2.gz XWHUKNFUAKNHOA-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341844624 433311925 /nfs/dbraw/zinc/31/19/25/433311925.db2.gz CDYACWUDBMCLIR-CQSZACIVSA-N 2 1 314.433 3.071 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000281741751 433365200 /nfs/dbraw/zinc/36/52/00/433365200.db2.gz VMXSWBNLNKYXAG-KZNAEPCWSA-N 2 1 324.472 3.465 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414066597 433373522 /nfs/dbraw/zinc/37/35/22/433373522.db2.gz IGTQZXPKHDZHRR-IRXDYDNUSA-N 2 1 319.493 3.123 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000341866664 433326972 /nfs/dbraw/zinc/32/69/72/433326972.db2.gz VFCBNQKAISLMGG-AEFFLSMTSA-N 2 1 312.461 3.397 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCCC12CCC2 ZINC000420927311 433327248 /nfs/dbraw/zinc/32/72/48/433327248.db2.gz ZHIRUFUNZOKWPJ-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCCC12CCC2 ZINC000420927311 433327262 /nfs/dbraw/zinc/32/72/62/433327262.db2.gz ZHIRUFUNZOKWPJ-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP CC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000361678689 433336136 /nfs/dbraw/zinc/33/61/36/433336136.db2.gz QFDFEMZEKAHCDD-RBUKOAKNSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)COC1 ZINC000361678689 433336147 /nfs/dbraw/zinc/33/61/47/433336147.db2.gz QFDFEMZEKAHCDD-RBUKOAKNSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)COC1 ZINC000361678689 433336161 /nfs/dbraw/zinc/33/61/61/433336161.db2.gz QFDFEMZEKAHCDD-RBUKOAKNSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339073893 433340639 /nfs/dbraw/zinc/34/06/39/433340639.db2.gz GMYSAFYSOMNURP-FYQPLNBISA-N 2 1 314.473 3.432 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000341893977 433341044 /nfs/dbraw/zinc/34/10/44/433341044.db2.gz ZNJHVNHJXHUEBD-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339067790 433342474 /nfs/dbraw/zinc/34/24/74/433342474.db2.gz IONHKXCWWSSCFY-ZHALLVOQSA-N 2 1 302.462 3.086 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339067789 433343019 /nfs/dbraw/zinc/34/30/19/433343019.db2.gz IONHKXCWWSSCFY-YQVWRLOYSA-N 2 1 302.462 3.086 20 0 DGADMP Cc1ncccc1Cc1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000351227597 433425858 /nfs/dbraw/zinc/42/58/58/433425858.db2.gz GGAWLBBHQASKGT-MBNYWOFBSA-N 2 1 300.406 3.298 20 0 DGADMP Cc1ncccc1Cc1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000351227597 433425872 /nfs/dbraw/zinc/42/58/72/433425872.db2.gz GGAWLBBHQASKGT-MBNYWOFBSA-N 2 1 300.406 3.298 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281799496 433385884 /nfs/dbraw/zinc/38/58/84/433385884.db2.gz YHZKNGARSWGESX-KRWDZBQOSA-N 2 1 302.397 3.247 20 0 DGADMP Cc1ccc2cc([C@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426023813 433403397 /nfs/dbraw/zinc/40/33/97/433403397.db2.gz UXBCNLASCJKBEX-HOTGVXAUSA-N 2 1 315.461 3.028 20 0 DGADMP CC[NH+](CC)CCCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000351187896 433406621 /nfs/dbraw/zinc/40/66/21/433406621.db2.gz WEWMYDFOHORVMI-IBGZPJMESA-N 2 1 317.521 3.315 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414134237 433415270 /nfs/dbraw/zinc/41/52/70/433415270.db2.gz NRVCLGYSBPEUCA-NXHRZFHOSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414134237 433415286 /nfs/dbraw/zinc/41/52/86/433415286.db2.gz NRVCLGYSBPEUCA-NXHRZFHOSA-N 2 1 322.880 3.022 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414134294 433418878 /nfs/dbraw/zinc/41/88/78/433418878.db2.gz CGOLAVNDCBTZQQ-RSPOEFSDSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414134294 433418888 /nfs/dbraw/zinc/41/88/88/433418888.db2.gz CGOLAVNDCBTZQQ-RSPOEFSDSA-N 2 1 316.489 3.443 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)c1OC ZINC000342015797 433419263 /nfs/dbraw/zinc/41/92/63/433419263.db2.gz CFGHRBAZMKSGBG-UHFFFAOYSA-N 2 1 318.461 3.119 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414142098 433422479 /nfs/dbraw/zinc/42/24/79/433422479.db2.gz KCQKIFNCIYUHEF-YSHGAJCASA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000414142098 433422490 /nfs/dbraw/zinc/42/24/90/433422490.db2.gz KCQKIFNCIYUHEF-YSHGAJCASA-N 2 1 302.462 3.054 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414169622 433437739 /nfs/dbraw/zinc/43/77/39/433437739.db2.gz BDVRLPMEKXANDY-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000414169169 433438367 /nfs/dbraw/zinc/43/83/67/433438367.db2.gz AZNAYYAUYBZQMF-WBVHZDCISA-N 2 1 304.482 3.353 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000414174976 433441082 /nfs/dbraw/zinc/44/10/82/433441082.db2.gz HWGKIVVDFJVZLP-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194002 433455559 /nfs/dbraw/zinc/45/55/59/433455559.db2.gz UGUOERDQTMHFJQ-BBRMVZONSA-N 2 1 306.425 3.143 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000414202902 433458787 /nfs/dbraw/zinc/45/87/87/433458787.db2.gz ZLVUKBGFSMHANM-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000246956253 290048205 /nfs/dbraw/zinc/04/82/05/290048205.db2.gz HQAJJISYTXWBFD-CWRNSKLLSA-N 2 1 307.457 3.415 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]21 ZINC000342101419 433468008 /nfs/dbraw/zinc/46/80/08/433468008.db2.gz KRAGBEMUIXHVPO-ZYSHUDEJSA-N 2 1 323.440 3.433 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@@H]21 ZINC000342091492 433462806 /nfs/dbraw/zinc/46/28/06/433462806.db2.gz USLNAQULJILWPQ-RRQGHBQHSA-N 2 1 315.392 3.040 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414226312 433470877 /nfs/dbraw/zinc/47/08/77/433470877.db2.gz BVXKHFADICQDIC-BBRMVZONSA-N 2 1 308.416 3.316 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]21 ZINC000342106119 433471751 /nfs/dbraw/zinc/47/17/51/433471751.db2.gz OVGAFSBJJJOWPB-IVMMDQJWSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]21 ZINC000342106119 433471762 /nfs/dbraw/zinc/47/17/62/433471762.db2.gz OVGAFSBJJJOWPB-IVMMDQJWSA-N 2 1 315.392 3.040 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000342111847 433475775 /nfs/dbraw/zinc/47/57/75/433475775.db2.gz URQVSHTXJKAWKW-BBWFWOEESA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000342111847 433475786 /nfs/dbraw/zinc/47/57/86/433475786.db2.gz URQVSHTXJKAWKW-BBWFWOEESA-N 2 1 311.429 3.209 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000361967514 433475830 /nfs/dbraw/zinc/47/58/30/433475830.db2.gz USSMRTNKLRLMOR-KJWYOANISA-N 2 1 304.503 3.335 20 0 DGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000414293178 433515458 /nfs/dbraw/zinc/51/54/58/433515458.db2.gz YTYICAICDZXCBD-NUJGCVRESA-N 2 1 302.462 3.054 20 0 DGADMP CN(C[C@@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472627 433517610 /nfs/dbraw/zinc/51/76/10/433517610.db2.gz BFEPHHIEVVXKRU-OAQYLSRUSA-N 2 1 324.468 3.259 20 0 DGADMP CN(C[C@@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472627 433517617 /nfs/dbraw/zinc/51/76/17/433517617.db2.gz BFEPHHIEVVXKRU-OAQYLSRUSA-N 2 1 324.468 3.259 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475526 433522636 /nfs/dbraw/zinc/52/26/36/433522636.db2.gz IPKCRFYGTNTUDA-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475526 433522648 /nfs/dbraw/zinc/52/26/48/433522648.db2.gz IPKCRFYGTNTUDA-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351475526 433522660 /nfs/dbraw/zinc/52/26/60/433522660.db2.gz IPKCRFYGTNTUDA-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351475526 433522669 /nfs/dbraw/zinc/52/26/69/433522669.db2.gz IPKCRFYGTNTUDA-XUVXKRRUSA-N 2 1 316.489 3.100 20 0 DGADMP COC1([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414298797 433523652 /nfs/dbraw/zinc/52/36/52/433523652.db2.gz HJTSOWLNYKGYNA-JENIJYKNSA-N 2 1 316.489 3.444 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]12 ZINC000351486859 433527684 /nfs/dbraw/zinc/52/76/84/433527684.db2.gz BLRYGZPEAVMSLB-HEHGZKQESA-N 2 1 301.821 3.057 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c4cccnc34)CC[C@H]21 ZINC000355206969 433537726 /nfs/dbraw/zinc/53/77/26/433537726.db2.gz DGHGBAGEGLUTMR-KBXCAEBGSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CC[C@H]21 ZINC000355206969 433537733 /nfs/dbraw/zinc/53/77/33/433537733.db2.gz DGHGBAGEGLUTMR-KBXCAEBGSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CC[C@H]21 ZINC000355206969 433537738 /nfs/dbraw/zinc/53/77/38/433537738.db2.gz DGHGBAGEGLUTMR-KBXCAEBGSA-N 2 1 313.420 3.290 20 0 DGADMP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000414314531 433538771 /nfs/dbraw/zinc/53/87/71/433538771.db2.gz LGAIGVUSVKTCGJ-MRXNPFEDSA-N 2 1 302.462 3.198 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(c3ccnc4cc(Cl)ccc43)C2)C1 ZINC000292184639 433495405 /nfs/dbraw/zinc/49/54/05/433495405.db2.gz FSFZNSWTRJPSGX-KRWDZBQOSA-N 2 1 301.821 3.420 20 0 DGADMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000292184639 433495417 /nfs/dbraw/zinc/49/54/17/433495417.db2.gz FSFZNSWTRJPSGX-KRWDZBQOSA-N 2 1 301.821 3.420 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000292184639 433495436 /nfs/dbraw/zinc/49/54/36/433495436.db2.gz FSFZNSWTRJPSGX-KRWDZBQOSA-N 2 1 301.821 3.420 20 0 DGADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000342225004 433549191 /nfs/dbraw/zinc/54/91/91/433549191.db2.gz OUMXGQJCSUMPNO-IRXDYDNUSA-N 2 1 310.869 3.228 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375742870 433549544 /nfs/dbraw/zinc/54/95/44/433549544.db2.gz JALUJBHFRNQSKB-YIONKMFJSA-N 2 1 310.388 3.345 20 0 DGADMP C[NH+](Cc1ccc(OC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375742870 433549553 /nfs/dbraw/zinc/54/95/53/433549553.db2.gz JALUJBHFRNQSKB-YIONKMFJSA-N 2 1 310.388 3.345 20 0 DGADMP C[NH+](Cc1ccc(OC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375742870 433549561 /nfs/dbraw/zinc/54/95/61/433549561.db2.gz JALUJBHFRNQSKB-YIONKMFJSA-N 2 1 310.388 3.345 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCc4ccccn4)C3)C2)cc1 ZINC000375746232 433551999 /nfs/dbraw/zinc/55/19/99/433551999.db2.gz XZCFKJONDZWPHI-OAQYLSRUSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCc4ccccn4)C3)C2)cc1 ZINC000375746232 433552009 /nfs/dbraw/zinc/55/20/09/433552009.db2.gz XZCFKJONDZWPHI-OAQYLSRUSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCc4ccccn4)C3)C2)cc1 ZINC000375746232 433552019 /nfs/dbraw/zinc/55/20/19/433552019.db2.gz XZCFKJONDZWPHI-OAQYLSRUSA-N 2 1 321.468 3.222 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000342225003 433552512 /nfs/dbraw/zinc/55/25/12/433552512.db2.gz OUMXGQJCSUMPNO-IAGOWNOFSA-N 2 1 310.869 3.228 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414339731 433556505 /nfs/dbraw/zinc/55/65/05/433556505.db2.gz LXDKAGSYHHLXMT-ZMMAXQRCSA-N 2 1 300.446 3.015 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000414343017 433557021 /nfs/dbraw/zinc/55/70/21/433557021.db2.gz QASVESOVPJSHBS-KXBFYZLASA-N 2 1 300.446 3.015 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCCCOc3ccccc3)C[C@H]21 ZINC000339407044 433561126 /nfs/dbraw/zinc/56/11/26/433561126.db2.gz KCHGMRJJGUGUDN-BHIYHBOVSA-N 2 1 302.462 3.295 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339411664 433561618 /nfs/dbraw/zinc/56/16/18/433561618.db2.gz BYPNRSUHVUWDEC-CQSZACIVSA-N 2 1 300.368 3.309 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339430299 433579100 /nfs/dbraw/zinc/57/91/00/433579100.db2.gz SWBWBFHLKIHJJV-GOEBONIOSA-N 2 1 316.424 3.146 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282366406 433579314 /nfs/dbraw/zinc/57/93/14/433579314.db2.gz IBBZZKBXYINASL-NZSAHSFTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282366406 433579326 /nfs/dbraw/zinc/57/93/26/433579326.db2.gz IBBZZKBXYINASL-NZSAHSFTSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@H]2CCC[C@H]21 ZINC000375840405 433585409 /nfs/dbraw/zinc/58/54/09/433585409.db2.gz PFSMMGZXBIXQSR-OWCLPIDISA-N 2 1 310.388 3.250 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572185 433588935 /nfs/dbraw/zinc/58/89/35/433588935.db2.gz CFQGUHYFZREBKT-ZWKOTPCHSA-N 2 1 322.880 3.226 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572185 433588943 /nfs/dbraw/zinc/58/89/43/433588943.db2.gz CFQGUHYFZREBKT-ZWKOTPCHSA-N 2 1 322.880 3.226 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000292309729 433548601 /nfs/dbraw/zinc/54/86/01/433548601.db2.gz ANFOSQFPFNHJNX-MJGOQNOKSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000292309729 433548607 /nfs/dbraw/zinc/54/86/07/433548607.db2.gz ANFOSQFPFNHJNX-MJGOQNOKSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000292309729 433548611 /nfs/dbraw/zinc/54/86/11/433548611.db2.gz ANFOSQFPFNHJNX-MJGOQNOKSA-N 2 1 304.478 3.426 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000376002844 433635982 /nfs/dbraw/zinc/63/59/82/433635982.db2.gz GBMAWTRUMGFLQT-ZAWLATJESA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002844 433635991 /nfs/dbraw/zinc/63/59/91/433635991.db2.gz GBMAWTRUMGFLQT-ZAWLATJESA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002844 433636000 /nfs/dbraw/zinc/63/60/00/433636000.db2.gz GBMAWTRUMGFLQT-ZAWLATJESA-N 2 1 307.526 3.102 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCCN(CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609731 433611229 /nfs/dbraw/zinc/61/12/29/433611229.db2.gz TUGABBIUBKZKJI-UXHICEINSA-N 3 1 321.553 3.305 20 0 DGADMP Cc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301671932 433670924 /nfs/dbraw/zinc/67/09/24/433670924.db2.gz FSDFAVLYGSPNNG-IBGZPJMESA-N 2 1 324.472 3.378 20 0 DGADMP Cc1nc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301671932 433670933 /nfs/dbraw/zinc/67/09/33/433670933.db2.gz FSDFAVLYGSPNNG-IBGZPJMESA-N 2 1 324.472 3.378 20 0 DGADMP COC[C@@H](NCc1cccc2nccn21)c1cccc(Cl)c1 ZINC000342421601 433683619 /nfs/dbraw/zinc/68/36/19/433683619.db2.gz PKCBGFBOYZQMST-MRXNPFEDSA-N 2 1 315.804 3.465 20 0 DGADMP C[NH+]1CCC([NH2+]C2(Cc3ccccc3Br)CC2)CC1 ZINC000293297894 433686660 /nfs/dbraw/zinc/68/66/60/433686660.db2.gz DQGDHXCDOCQPRC-UHFFFAOYSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028679 433687726 /nfs/dbraw/zinc/68/77/26/433687726.db2.gz MJGDLEAIJZJRAR-HUUCEWRRSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000449028679 433687731 /nfs/dbraw/zinc/68/77/31/433687731.db2.gz MJGDLEAIJZJRAR-HUUCEWRRSA-N 2 1 308.416 3.486 20 0 DGADMP [NH3+]Cc1ccc(-c2noc([C@@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000414482039 433649405 /nfs/dbraw/zinc/64/94/05/433649405.db2.gz CUSFLHZNKMUCIY-HNNXBMFYSA-N 2 1 300.406 3.166 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC12CCOCC2)Cc1ccccc1 ZINC000367067563 293019962 /nfs/dbraw/zinc/01/99/62/293019962.db2.gz RVZQXRVRWLBSTG-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000368240254 293108978 /nfs/dbraw/zinc/10/89/78/293108978.db2.gz INTDAVDDRCBICU-LULLPPNCSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000368240254 293108987 /nfs/dbraw/zinc/10/89/87/293108987.db2.gz INTDAVDDRCBICU-LULLPPNCSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000368240254 293108989 /nfs/dbraw/zinc/10/89/89/293108989.db2.gz INTDAVDDRCBICU-LULLPPNCSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000368240255 293109371 /nfs/dbraw/zinc/10/93/71/293109371.db2.gz INTDAVDDRCBICU-QXCFHYIPSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000368240255 293109373 /nfs/dbraw/zinc/10/93/73/293109373.db2.gz INTDAVDDRCBICU-QXCFHYIPSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000368240255 293109379 /nfs/dbraw/zinc/10/93/79/293109379.db2.gz INTDAVDDRCBICU-QXCFHYIPSA-N 2 1 319.493 3.233 20 0 DGADMP Cc1cccc(-c2n[nH]cc2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000368366557 293119973 /nfs/dbraw/zinc/11/99/73/293119973.db2.gz FQLVTVMNJOWIOM-MSOLQXFVSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000368366557 293119977 /nfs/dbraw/zinc/11/99/77/293119977.db2.gz FQLVTVMNJOWIOM-MSOLQXFVSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000368366557 293119978 /nfs/dbraw/zinc/11/99/78/293119978.db2.gz FQLVTVMNJOWIOM-MSOLQXFVSA-N 2 1 310.445 3.102 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000370518583 293174991 /nfs/dbraw/zinc/17/49/91/293174991.db2.gz LXJQTRKLVDHRSC-MOPGFXCFSA-N 2 1 300.446 3.181 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000370518585 293175061 /nfs/dbraw/zinc/17/50/61/293175061.db2.gz LXJQTRKLVDHRSC-RBUKOAKNSA-N 2 1 300.446 3.181 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000370518586 293175136 /nfs/dbraw/zinc/17/51/36/293175136.db2.gz LXJQTRKLVDHRSC-RTBURBONSA-N 2 1 300.446 3.181 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000376280231 433704812 /nfs/dbraw/zinc/70/48/12/433704812.db2.gz GZIIMCQXINDBIS-UHFFFAOYSA-N 2 1 321.856 3.159 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000370678610 293185215 /nfs/dbraw/zinc/18/52/15/293185215.db2.gz DCOGFQVSQRNBMC-VQIMIIECSA-N 3 1 318.509 3.214 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000373262905 293253778 /nfs/dbraw/zinc/25/37/78/293253778.db2.gz BNGXIYIYDLJXHP-OAHLLOKOSA-N 2 1 317.408 3.338 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCc1ccccc1 ZINC000373450643 293276583 /nfs/dbraw/zinc/27/65/83/293276583.db2.gz BIFYICMWZFYPSI-VAMGGRTRSA-N 2 1 316.489 3.193 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373903122 293329524 /nfs/dbraw/zinc/32/95/24/293329524.db2.gz IXRKJZFJBMOAMK-AEFFLSMTSA-N 2 1 304.482 3.048 20 0 DGADMP OCCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374054251 293347785 /nfs/dbraw/zinc/34/77/85/293347785.db2.gz NWHINJBGDDZVHM-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000374269147 293374525 /nfs/dbraw/zinc/37/45/25/293374525.db2.gz NFVLIPSJIAAVHI-FUHWJXTLSA-N 2 1 318.509 3.171 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000356830085 433717783 /nfs/dbraw/zinc/71/77/83/433717783.db2.gz CZTHHYONUNRHHJ-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000449169523 433730691 /nfs/dbraw/zinc/73/06/91/433730691.db2.gz OSEFRAKQUIOVDO-QYZOEREBSA-N 2 1 316.489 3.038 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000449169523 433730700 /nfs/dbraw/zinc/73/07/00/433730700.db2.gz OSEFRAKQUIOVDO-QYZOEREBSA-N 2 1 316.489 3.038 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000449300499 433731994 /nfs/dbraw/zinc/73/19/94/433731994.db2.gz OWIMLIBYWVSGMN-FUHWJXTLSA-N 2 1 306.494 3.475 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](C)CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000449228311 433733925 /nfs/dbraw/zinc/73/39/25/433733925.db2.gz XYTBCPVKYANUGC-PMUMKWKESA-N 2 1 316.493 3.477 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356858262 433736163 /nfs/dbraw/zinc/73/61/63/433736163.db2.gz XHZBYJWRJQJZDW-LCLWPZTBSA-N 2 1 316.489 3.302 20 0 DGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000421822110 433745799 /nfs/dbraw/zinc/74/57/99/433745799.db2.gz VVHNCFHGEXWHMT-STQMWFEESA-N 2 1 308.853 3.484 20 0 DGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000421822110 433745803 /nfs/dbraw/zinc/74/58/03/433745803.db2.gz VVHNCFHGEXWHMT-STQMWFEESA-N 2 1 308.853 3.484 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc2ccccc2[nH]1 ZINC000342710425 433748759 /nfs/dbraw/zinc/74/87/59/433748759.db2.gz RDYNLXFUTPYEER-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000351848127 433755522 /nfs/dbraw/zinc/75/55/22/433755522.db2.gz CDFBSJQTCYYOML-AAEUAGOBSA-N 2 1 305.809 3.164 20 0 DGADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)cc1 ZINC000414642502 433765469 /nfs/dbraw/zinc/76/54/69/433765469.db2.gz JUVJLRLSPAPZRO-MRXNPFEDSA-N 2 1 312.417 3.275 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000414653070 433770289 /nfs/dbraw/zinc/77/02/89/433770289.db2.gz AMNDNEONKODSPS-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP Brc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772849 433824150 /nfs/dbraw/zinc/82/41/50/433824150.db2.gz CPMFGVYBCHLMBF-ZIAGYGMSSA-N 2 1 323.278 3.271 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000421853894 433773574 /nfs/dbraw/zinc/77/35/74/433773574.db2.gz KLZUEWZSWFIMCE-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000421851589 433773819 /nfs/dbraw/zinc/77/38/19/433773819.db2.gz GBRQIDFRZLEALK-WJFTUGDTSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000421851589 433773830 /nfs/dbraw/zinc/77/38/30/433773830.db2.gz GBRQIDFRZLEALK-WJFTUGDTSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)C1CCC([NH+]2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000414701515 433798988 /nfs/dbraw/zinc/79/89/88/433798988.db2.gz HOZZXENHZHVRLO-UVHRUJRTSA-N 2 1 321.553 3.207 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC000414706034 433801451 /nfs/dbraw/zinc/80/14/51/433801451.db2.gz OGEVJRSKIFZXSB-FAJBIJEISA-N 2 1 302.462 3.145 20 0 DGADMP C/C(=C/c1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432348060 433824983 /nfs/dbraw/zinc/82/49/83/433824983.db2.gz RQOUDZVAXNSOSJ-HGLWPWQMSA-N 2 1 302.462 3.180 20 0 DGADMP c1ccc(OCCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414768095 433825234 /nfs/dbraw/zinc/82/52/34/433825234.db2.gz LEAIUCUWUQTRDM-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC000414759713 433819108 /nfs/dbraw/zinc/81/91/08/433819108.db2.gz WURKGOHTPFFXAC-GXTWGEPZSA-N 2 1 316.367 3.405 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293655533 433820331 /nfs/dbraw/zinc/82/03/31/433820331.db2.gz LPQPHCSGULAYHB-WMZOPIPTSA-N 2 1 304.478 3.159 20 0 DGADMP CC[C@@H](C)[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284263989 433872885 /nfs/dbraw/zinc/87/28/85/433872885.db2.gz WJZABSIJWUHCCA-WQUXRXDGSA-N 2 1 318.505 3.426 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCCCC1 ZINC000414840501 433873270 /nfs/dbraw/zinc/87/32/70/433873270.db2.gz KKFHGDMICDRHNF-UHFFFAOYSA-N 2 1 324.852 3.253 20 0 DGADMP Brc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772844 433826106 /nfs/dbraw/zinc/82/61/06/433826106.db2.gz CPMFGVYBCHLMBF-KBPBESRZSA-N 2 1 323.278 3.271 20 0 DGADMP Fc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414781559 433830646 /nfs/dbraw/zinc/83/06/46/433830646.db2.gz NEOLSYSGFSLKSP-STQMWFEESA-N 2 1 319.449 3.257 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000284087850 433830990 /nfs/dbraw/zinc/83/09/90/433830990.db2.gz BIUOBTTTZUXDCU-IACUBPJLSA-N 2 1 311.857 3.267 20 0 DGADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1 ZINC000414785635 433833131 /nfs/dbraw/zinc/83/31/31/433833131.db2.gz SWMGHROWAGHHLM-GOEBONIOSA-N 2 1 322.880 3.131 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414789030 433834640 /nfs/dbraw/zinc/83/46/40/433834640.db2.gz XRWWATSNMAKUOD-ZWKOTPCHSA-N 2 1 314.473 3.297 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1SC ZINC000414786833 433834921 /nfs/dbraw/zinc/83/49/21/433834921.db2.gz UYVZRQONVZSUHN-JKSUJKDBSA-N 2 1 320.502 3.239 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414784621 433836411 /nfs/dbraw/zinc/83/64/11/433836411.db2.gz RMWSZUXSUKZUJL-HZPDHXFCSA-N 2 1 306.425 3.046 20 0 DGADMP c1ccc(CSCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414789201 433836575 /nfs/dbraw/zinc/83/65/75/433836575.db2.gz XYNPCXHCXAFRKI-ROUUACIJSA-N 2 1 304.503 3.241 20 0 DGADMP CC(C)([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414795488 433838004 /nfs/dbraw/zinc/83/80/04/433838004.db2.gz AJNDLOBWEHNNJG-UHFFFAOYSA-N 2 1 302.393 3.232 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789952 433841143 /nfs/dbraw/zinc/84/11/43/433841143.db2.gz ZCROCNSPAMAZBC-ZIAGYGMSSA-N 2 1 308.853 3.170 20 0 DGADMP c1coc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000357042527 433841879 /nfs/dbraw/zinc/84/18/79/433841879.db2.gz FAPIJDVAAZHUTL-CQSZACIVSA-N 2 1 317.458 3.225 20 0 DGADMP CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000293728731 433844799 /nfs/dbraw/zinc/84/47/99/433844799.db2.gz OFFHOQQXRRTWQO-IYWMVGAKSA-N 2 1 314.473 3.197 20 0 DGADMP Cc1nc(COc2ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc2)cs1 ZINC000414797710 433845411 /nfs/dbraw/zinc/84/54/11/433845411.db2.gz PJVZUKSANRDIJF-KRWDZBQOSA-N 2 1 319.474 3.103 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414808150 433847634 /nfs/dbraw/zinc/84/76/34/433847634.db2.gz KJQJAOOSKNODKM-FUHWJXTLSA-N 2 1 303.494 3.147 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344106435 433848521 /nfs/dbraw/zinc/84/85/21/433848521.db2.gz JYFOFAOSQICDOU-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414814075 433853520 /nfs/dbraw/zinc/85/35/20/433853520.db2.gz YXYWLPWCTOXPPP-FZMZJTMJSA-N 2 1 307.488 3.479 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000284191390 433856123 /nfs/dbraw/zinc/85/61/23/433856123.db2.gz RQVGOADVMRLFDT-KXBFYZLASA-N 2 1 302.462 3.480 20 0 DGADMP COC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000377330856 433856242 /nfs/dbraw/zinc/85/62/42/433856242.db2.gz OQQUGZPFCABLCL-QGZVFWFLSA-N 2 1 302.462 3.009 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414819325 433859664 /nfs/dbraw/zinc/85/96/64/433859664.db2.gz YKXOZWCICZSQOM-SWLSCSKDSA-N 2 1 313.283 3.487 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414827305 433863864 /nfs/dbraw/zinc/86/38/64/433863864.db2.gz KIHRZAMBIKEHAQ-JTQLQIEISA-N 2 1 303.233 3.091 20 0 DGADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C(F)(F)F)c1 ZINC000414828303 433865425 /nfs/dbraw/zinc/86/54/25/433865425.db2.gz MATNKKNUXGOAQQ-PBWFPOADSA-N 2 1 302.315 3.217 20 0 DGADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833363 433868766 /nfs/dbraw/zinc/86/87/66/433868766.db2.gz ANHHPGMCYYHNQY-HKUYNNGSSA-N 2 1 315.505 3.291 20 0 DGADMP CCc1noc(C2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000414838376 433870977 /nfs/dbraw/zinc/87/09/77/433870977.db2.gz KNWHGVPWOYXZBC-GPANFISMSA-N 2 1 320.481 3.155 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435429624 433872363 /nfs/dbraw/zinc/87/23/63/433872363.db2.gz YHRMVRVMPXCEQN-RDJZCZTQSA-N 2 1 320.502 3.119 20 0 DGADMP CCCCCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000414886639 433901483 /nfs/dbraw/zinc/90/14/83/433901483.db2.gz YONNBPFTCKTJOZ-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000357184918 433901732 /nfs/dbraw/zinc/90/17/32/433901732.db2.gz UPAHGGZSRYWPMQ-UHFFFAOYSA-N 2 1 304.482 3.162 20 0 DGADMP COc1cccc2c(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc(C)nc12 ZINC000352090171 433905207 /nfs/dbraw/zinc/90/52/07/433905207.db2.gz WKXXZSSZOAUEOA-PBHICJAKSA-N 2 1 311.429 3.082 20 0 DGADMP [NH3+][C@@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)C1CC1 ZINC000414899236 433905415 /nfs/dbraw/zinc/90/54/15/433905415.db2.gz ULNVOJGMCHMUSB-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297616 433935455 /nfs/dbraw/zinc/93/54/55/433935455.db2.gz XWNPZSNFNXYAQN-HCXYKTFWSA-N 2 1 318.505 3.331 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414938732 433927210 /nfs/dbraw/zinc/92/72/10/433927210.db2.gz FHBVPMLVJJGSGQ-LALPHHSUSA-N 2 1 300.368 3.367 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436293642 433929636 /nfs/dbraw/zinc/92/96/36/433929636.db2.gz OSNCFBJCEGJLHC-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293642 433929647 /nfs/dbraw/zinc/92/96/47/433929647.db2.gz OSNCFBJCEGJLHC-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293642 433929659 /nfs/dbraw/zinc/92/96/59/433929659.db2.gz OSNCFBJCEGJLHC-QRQLOZEOSA-N 2 1 307.526 3.103 20 0 DGADMP CCCOc1c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cccc1OCC ZINC000414944527 433930119 /nfs/dbraw/zinc/93/01/19/433930119.db2.gz GYCZXNLQGSDKRC-ZBFHGGJFSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[NH2+]1 ZINC000414945977 433930196 /nfs/dbraw/zinc/93/01/96/433930196.db2.gz JAYIWVJVQQVUPW-WBMJQRKESA-N 2 1 308.853 3.359 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623592 433930247 /nfs/dbraw/zinc/93/02/47/433930247.db2.gz FPOMDEYEBRIUPV-DFQSSKMNSA-N 2 1 319.537 3.079 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414846721 433878772 /nfs/dbraw/zinc/87/87/72/433878772.db2.gz UZLHOMLJIBWMQP-HBFSDRIKSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414846721 433878780 /nfs/dbraw/zinc/87/87/80/433878780.db2.gz UZLHOMLJIBWMQP-HBFSDRIKSA-N 3 1 315.505 3.019 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000414848056 433879303 /nfs/dbraw/zinc/87/93/03/433879303.db2.gz WQSLQAOGDHWHBC-SECBINFHSA-N 2 1 305.647 3.048 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000414848591 433879527 /nfs/dbraw/zinc/87/95/27/433879527.db2.gz PZWBEBYAIUEUFE-SNRMKQJTSA-N 2 1 303.494 3.130 20 0 DGADMP CCOc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1OCC ZINC000414846949 433879567 /nfs/dbraw/zinc/87/95/67/433879567.db2.gz UEAWWKVGVGDHNG-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000414852484 433882208 /nfs/dbraw/zinc/88/22/08/433882208.db2.gz KAINGALEKOJDRI-MNOVXSKESA-N 2 1 315.230 3.066 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000293836444 433887176 /nfs/dbraw/zinc/88/71/76/433887176.db2.gz XKLGRKRCRRFIBZ-JTNHKYCSSA-N 2 1 316.367 3.245 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000293836444 433887192 /nfs/dbraw/zinc/88/71/92/433887192.db2.gz XKLGRKRCRRFIBZ-JTNHKYCSSA-N 2 1 316.367 3.245 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)s2)o1 ZINC000414856543 433888114 /nfs/dbraw/zinc/88/81/14/433888114.db2.gz OHYSJOMSSDGYOB-CHWSQXEVSA-N 2 1 305.447 3.189 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293845208 433890662 /nfs/dbraw/zinc/89/06/62/433890662.db2.gz TXCOVXAQDSUZLL-GOSISDBHSA-N 2 1 316.445 3.141 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861763 433891966 /nfs/dbraw/zinc/89/19/66/433891966.db2.gz WTUXXSZPJINOGS-PIKOESSRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861763 433891976 /nfs/dbraw/zinc/89/19/76/433891976.db2.gz WTUXXSZPJINOGS-PIKOESSRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414860461 433892077 /nfs/dbraw/zinc/89/20/77/433892077.db2.gz VNTXLRZEFNJLFH-MTNOOBJLSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709937 433943773 /nfs/dbraw/zinc/94/37/73/433943773.db2.gz ZXYAYFSJDFODBY-WFASDCNBSA-N 2 1 312.379 3.325 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000414965572 433944829 /nfs/dbraw/zinc/94/48/29/433944829.db2.gz NKZNBSZPGZJHRN-MISYRCLQSA-N 3 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414965572 433944837 /nfs/dbraw/zinc/94/48/37/433944837.db2.gz NKZNBSZPGZJHRN-MISYRCLQSA-N 3 1 315.505 3.161 20 0 DGADMP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc2c1 ZINC000422717751 433944924 /nfs/dbraw/zinc/94/49/24/433944924.db2.gz PBPVLISHJGOTDL-KZNAEPCWSA-N 2 1 312.461 3.043 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414977265 433947959 /nfs/dbraw/zinc/94/79/59/433947959.db2.gz RAAJRIYSOJTAQO-INIZCTEOSA-N 2 1 318.852 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726818 433949208 /nfs/dbraw/zinc/94/92/08/433949208.db2.gz GAILOALACROPKN-TXPKVOOTSA-N 2 1 317.521 3.175 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422726818 433949214 /nfs/dbraw/zinc/94/92/14/433949214.db2.gz GAILOALACROPKN-TXPKVOOTSA-N 2 1 317.521 3.175 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422725608 433952722 /nfs/dbraw/zinc/95/27/22/433952722.db2.gz BZJSTZYONBBPBZ-JQHSSLGASA-N 2 1 303.494 3.223 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422729116 433953785 /nfs/dbraw/zinc/95/37/85/433953785.db2.gz BHXZUVVJRCNYKA-NSHDSACASA-N 2 1 309.335 3.406 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422739493 433960659 /nfs/dbraw/zinc/96/06/59/433960659.db2.gz LMDWTHZYMQZJNW-RLLQIKCJSA-N 2 1 315.505 3.190 20 0 DGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000340183786 433961674 /nfs/dbraw/zinc/96/16/74/433961674.db2.gz DMOJFYPCRZITPD-NMLBUPMWSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422743570 433964242 /nfs/dbraw/zinc/96/42/42/433964242.db2.gz UGVHPHSSFSJBLQ-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000415004130 433965769 /nfs/dbraw/zinc/96/57/69/433965769.db2.gz NVHYTSYUTUSDEJ-QGZVFWFLSA-N 2 1 317.383 3.083 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340183321 433966732 /nfs/dbraw/zinc/96/67/32/433966732.db2.gz BDEWRXDRRAAXBO-MISYRCLQSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340183321 433966744 /nfs/dbraw/zinc/96/67/44/433966744.db2.gz BDEWRXDRRAAXBO-MISYRCLQSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340183321 433966749 /nfs/dbraw/zinc/96/67/49/433966749.db2.gz BDEWRXDRRAAXBO-MISYRCLQSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422745281 433968206 /nfs/dbraw/zinc/96/82/06/433968206.db2.gz LUCGFEMHSSWWLK-KPFFTGBYSA-N 2 1 315.505 3.319 20 0 DGADMP c1ccc2c(c1)C1C[C@@H](C[NH2+][C@H]3CC[NH2+]C3)C2c2ccccc21 ZINC000415099251 433974359 /nfs/dbraw/zinc/97/43/59/433974359.db2.gz GNKJXJMODQWHMB-LDSOLPTJSA-N 2 1 304.437 3.235 20 0 DGADMP CC1(C)C[NH+](C/C=C\C[N@H+]2CCSC(C)(C)C2)CCS1 ZINC000340195578 433981379 /nfs/dbraw/zinc/98/13/79/433981379.db2.gz AMEPWTHVUHHSNX-WAYWQWQTSA-N 2 1 314.564 3.197 20 0 DGADMP C[N@H+](Cc1cccc(OC(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285521072 433981629 /nfs/dbraw/zinc/98/16/29/433981629.db2.gz OHAIDPRAJUNAJW-YIONKMFJSA-N 2 1 310.388 3.345 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285521072 433981632 /nfs/dbraw/zinc/98/16/32/433981632.db2.gz OHAIDPRAJUNAJW-YIONKMFJSA-N 2 1 310.388 3.345 20 0 DGADMP C[NH+](Cc1cccc(OC(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285521072 433981643 /nfs/dbraw/zinc/98/16/43/433981643.db2.gz OHAIDPRAJUNAJW-YIONKMFJSA-N 2 1 310.388 3.345 20 0 DGADMP C[NH+](Cc1cccc(OC(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285521072 433981648 /nfs/dbraw/zinc/98/16/48/433981648.db2.gz OHAIDPRAJUNAJW-YIONKMFJSA-N 2 1 310.388 3.345 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773980 433986166 /nfs/dbraw/zinc/98/61/66/433986166.db2.gz ZNNDHSRXCVYQML-DYVFJYSZSA-N 2 1 320.383 3.336 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000378466267 293797059 /nfs/dbraw/zinc/79/70/59/293797059.db2.gz ZXYZMZRGRIQSDX-IBGZPJMESA-N 2 1 313.445 3.339 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340215167 433988283 /nfs/dbraw/zinc/98/82/83/433988283.db2.gz FKZOBLLFFAQCJN-CABCVRRESA-N 2 1 310.507 3.363 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340215167 433988294 /nfs/dbraw/zinc/98/82/94/433988294.db2.gz FKZOBLLFFAQCJN-CABCVRRESA-N 2 1 310.507 3.363 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422772472 433988666 /nfs/dbraw/zinc/98/86/66/433988666.db2.gz ZBXVGWHSZPHPLW-LLVKDONJSA-N 2 1 320.234 3.150 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377642887 433939798 /nfs/dbraw/zinc/93/97/98/433939798.db2.gz CMWXANYRVVYOLB-ICSRJNTNSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000303430907 433940767 /nfs/dbraw/zinc/94/07/67/433940767.db2.gz DFCHZJUJGUTLSR-KRWDZBQOSA-N 2 1 312.457 3.435 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000422790095 434004818 /nfs/dbraw/zinc/00/48/18/434004818.db2.gz USLPJGSLYOBKAG-IIAWOOMASA-N 2 1 307.869 3.039 20 0 DGADMP C[C@H]([NH2+]CC1(c2ccccc2Br)CC1)[C@H]1CCC[NH2+]1 ZINC000422788674 434006168 /nfs/dbraw/zinc/00/61/68/434006168.db2.gz SORPRKSTKLLNHJ-SWLSCSKDSA-N 2 1 323.278 3.211 20 0 DGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422790948 434007290 /nfs/dbraw/zinc/00/72/90/434007290.db2.gz CJVLGVNSRIKGLZ-IRXDYDNUSA-N 2 1 303.450 3.031 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377833005 434008541 /nfs/dbraw/zinc/00/85/41/434008541.db2.gz WLYNBYYUIDDRLO-VQTJNVASSA-N 2 1 315.505 3.238 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)s2)cs1 ZINC000422798454 434010215 /nfs/dbraw/zinc/01/02/15/434010215.db2.gz RDQHAOHTILGCIR-BXUZGUMPSA-N 2 1 321.515 3.453 20 0 DGADMP C[C@@H](CCNC(=[NH2+])N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000304518674 434015855 /nfs/dbraw/zinc/01/58/55/434015855.db2.gz XJODAZSCAIXYQG-KRWDZBQOSA-N 2 1 316.493 3.153 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422805074 434018399 /nfs/dbraw/zinc/01/83/99/434018399.db2.gz LPTREBYCQOAHLN-FGTMMUONSA-N 2 1 318.461 3.104 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340257238 434021591 /nfs/dbraw/zinc/02/15/91/434021591.db2.gz TXTYTJSYVGLGPE-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340257238 434021599 /nfs/dbraw/zinc/02/15/99/434021599.db2.gz TXTYTJSYVGLGPE-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340257238 434021607 /nfs/dbraw/zinc/02/16/07/434021607.db2.gz TXTYTJSYVGLGPE-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+](C)C1CCCCC1 ZINC000422812051 434021643 /nfs/dbraw/zinc/02/16/43/434021643.db2.gz XAMFJRZGUFQAGO-YLJYHZDGSA-N 2 1 317.521 3.189 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340262023 434022891 /nfs/dbraw/zinc/02/28/91/434022891.db2.gz UQAOECIICWUCEQ-MOPGFXCFSA-N 2 1 324.472 3.309 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340262023 434022899 /nfs/dbraw/zinc/02/28/99/434022899.db2.gz UQAOECIICWUCEQ-MOPGFXCFSA-N 2 1 324.472 3.309 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000340264920 434024852 /nfs/dbraw/zinc/02/48/52/434024852.db2.gz RKZZTQDPLFXHAB-MUGJNUQGSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000340264920 434024860 /nfs/dbraw/zinc/02/48/60/434024860.db2.gz RKZZTQDPLFXHAB-MUGJNUQGSA-N 2 1 316.489 3.353 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)o1 ZINC000340271033 434027016 /nfs/dbraw/zinc/02/70/16/434027016.db2.gz JHGPXNBDDMYNSH-HKUYNNGSSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)o1 ZINC000340271033 434027025 /nfs/dbraw/zinc/02/70/25/434027025.db2.gz JHGPXNBDDMYNSH-HKUYNNGSSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000422823015 434029724 /nfs/dbraw/zinc/02/97/24/434029724.db2.gz CHFGTPRROXEXRT-RLLQIKCJSA-N 2 1 315.505 3.110 20 0 DGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377912837 434033179 /nfs/dbraw/zinc/03/31/79/434033179.db2.gz OSPVMTYXFJBJSD-UYAOXDASSA-N 2 1 315.505 3.156 20 0 DGADMP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCCN1 ZINC000422828258 434036986 /nfs/dbraw/zinc/03/69/86/434036986.db2.gz OESZNEKDKKXWQX-MAUKXSAKSA-N 2 1 321.534 3.080 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)c2ccccc21 ZINC000422827476 434037016 /nfs/dbraw/zinc/03/70/16/434037016.db2.gz NAAYVHHVYQJLLK-UXHICEINSA-N 2 1 318.424 3.166 20 0 DGADMP CCOCc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422834276 434042386 /nfs/dbraw/zinc/04/23/86/434042386.db2.gz NPROWRHMRPBYGO-UZLBHIALSA-N 2 1 312.457 3.271 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCC2 ZINC000422779090 433994795 /nfs/dbraw/zinc/99/47/95/433994795.db2.gz IMRHZIGFWLTZQB-YDZRNGNQSA-N 2 1 314.473 3.417 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340230406 434001182 /nfs/dbraw/zinc/00/11/82/434001182.db2.gz HXVFMIWGRPKDCQ-WDSOQIARSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000414789953 293891128 /nfs/dbraw/zinc/89/11/28/293891128.db2.gz GCNBIHFIQBXHNG-GFCCVEGCSA-N 2 1 305.647 3.175 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCN(c2cccc(F)c2)CC1 ZINC000363479492 434065781 /nfs/dbraw/zinc/06/57/81/434065781.db2.gz IIHBHFBCONINLT-UHFFFAOYSA-N 2 1 319.468 3.212 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422881743 434077363 /nfs/dbraw/zinc/07/73/63/434077363.db2.gz OHLQJFFVZRLDGJ-GJZGRUSLSA-N 2 1 316.367 3.377 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422879729 434078868 /nfs/dbraw/zinc/07/88/68/434078868.db2.gz KXFYWBJZHKBXEA-HBFSDRIKSA-N 3 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422879729 434078877 /nfs/dbraw/zinc/07/88/77/434078877.db2.gz KXFYWBJZHKBXEA-HBFSDRIKSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422879729 434078881 /nfs/dbraw/zinc/07/88/81/434078881.db2.gz KXFYWBJZHKBXEA-HBFSDRIKSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422885073 434081048 /nfs/dbraw/zinc/08/10/48/434081048.db2.gz TZHIWLOQYBIAKR-AZUAARDMSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422886768 434083781 /nfs/dbraw/zinc/08/37/81/434083781.db2.gz XNPWZEKXYUJFEH-UWVAXJGDSA-N 3 1 315.505 3.278 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422895116 434091778 /nfs/dbraw/zinc/09/17/78/434091778.db2.gz DZDDPQIXSXPXFX-KRWDZBQOSA-N 3 1 303.494 3.067 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000422895711 434093990 /nfs/dbraw/zinc/09/39/90/434093990.db2.gz GJIFGGYNQBKSDY-NWDGAFQWSA-N 2 1 303.269 3.260 20 0 DGADMP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422905107 434096852 /nfs/dbraw/zinc/09/68/52/434096852.db2.gz HSEKOZFQJLXUSM-DLBZAZTESA-N 2 1 312.413 3.457 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840157 434048073 /nfs/dbraw/zinc/04/80/73/434048073.db2.gz SCXQZBPNHAVDCV-CGTJXYLNSA-N 2 1 321.534 3.210 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422852160 434050339 /nfs/dbraw/zinc/05/03/39/434050339.db2.gz ADVIVDBZMJHSGB-MNEFBYGVSA-N 2 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422852160 434050353 /nfs/dbraw/zinc/05/03/53/434050353.db2.gz ADVIVDBZMJHSGB-MNEFBYGVSA-N 3 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422852160 434050365 /nfs/dbraw/zinc/05/03/65/434050365.db2.gz ADVIVDBZMJHSGB-MNEFBYGVSA-N 3 1 301.478 3.030 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000309880824 434104592 /nfs/dbraw/zinc/10/45/92/434104592.db2.gz VXFBXSWPXFPNAZ-VQTJNVASSA-N 2 1 316.489 3.305 20 0 DGADMP C[N@@H+]1CC[C@H](NCc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397429 434108154 /nfs/dbraw/zinc/10/81/54/434108154.db2.gz ZWUVFHCTSUGXGP-AZUAARDMSA-N 2 1 320.440 3.259 20 0 DGADMP C[N@H+]1CC[C@H](NCc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397429 434108164 /nfs/dbraw/zinc/10/81/64/434108164.db2.gz ZWUVFHCTSUGXGP-AZUAARDMSA-N 2 1 320.440 3.259 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422915813 434108741 /nfs/dbraw/zinc/10/87/41/434108741.db2.gz ZDQXLHGKBJPVFE-LPHOPBHVSA-N 3 1 303.494 3.005 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1Br)C2 ZINC000310818788 434113973 /nfs/dbraw/zinc/11/39/73/434113973.db2.gz BHEGTDYQUWNWQF-ZFWWWQNUSA-N 2 1 309.251 3.010 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1Br)C2 ZINC000310818788 434113983 /nfs/dbraw/zinc/11/39/83/434113983.db2.gz BHEGTDYQUWNWQF-ZFWWWQNUSA-N 2 1 309.251 3.010 20 0 DGADMP C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000422912649 434101715 /nfs/dbraw/zinc/10/17/15/434101715.db2.gz WOQMCWYEWZHPHZ-KBPBESRZSA-N 2 1 307.507 3.075 20 0 DGADMP CC(C)COCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000501009718 294128806 /nfs/dbraw/zinc/12/88/06/294128806.db2.gz DTCIBGHRBGVHDO-RUYXUALKSA-N 2 1 318.505 3.405 20 0 DGADMP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000502287023 294161636 /nfs/dbraw/zinc/16/16/36/294161636.db2.gz RDSHWAXNECJWKW-DNVCBOLYSA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000502287023 294161637 /nfs/dbraw/zinc/16/16/37/294161637.db2.gz RDSHWAXNECJWKW-DNVCBOLYSA-N 2 1 304.478 3.420 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000502287023 294161642 /nfs/dbraw/zinc/16/16/42/294161642.db2.gz RDSHWAXNECJWKW-DNVCBOLYSA-N 2 1 304.478 3.420 20 0 DGADMP C[NH+](C)C1(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000507881140 294312535 /nfs/dbraw/zinc/31/25/35/294312535.db2.gz ZKEIIKCVZBSTMI-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)(C)c1ccc(OCCC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000509045258 294339091 /nfs/dbraw/zinc/33/90/91/294339091.db2.gz IPCMOIBFFKGMBP-LJQANCHMSA-N 2 1 304.478 3.424 20 0 DGADMP C[C@H]1CC[N@@H+](C)CCN1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000353435941 434132638 /nfs/dbraw/zinc/13/26/38/434132638.db2.gz ALUZDFIPZHCXLO-SFHVURJKSA-N 2 1 317.521 3.171 20 0 DGADMP C[C@H]1CC[NH+](C)CCN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353435941 434132648 /nfs/dbraw/zinc/13/26/48/434132648.db2.gz ALUZDFIPZHCXLO-SFHVURJKSA-N 2 1 317.521 3.171 20 0 DGADMP C[C@H]1CC[NH+](C)CCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353435941 434132657 /nfs/dbraw/zinc/13/26/57/434132657.db2.gz ALUZDFIPZHCXLO-SFHVURJKSA-N 2 1 317.521 3.171 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340443616 434135806 /nfs/dbraw/zinc/13/58/06/434135806.db2.gz YNZXMYCAXXDFKQ-QFBILLFUSA-N 2 1 313.445 3.471 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422976972 434150263 /nfs/dbraw/zinc/15/02/63/434150263.db2.gz FFFNDHTXBRFYAB-ATZDWAIDSA-N 2 1 302.462 3.058 20 0 DGADMP CC(C)N(C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340474879 434151708 /nfs/dbraw/zinc/15/17/08/434151708.db2.gz PAGCXHZBVIKZFI-UHFFFAOYSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000340472240 434152962 /nfs/dbraw/zinc/15/29/62/434152962.db2.gz HJLYLHGMTAXMEM-ZWKOTPCHSA-N 2 1 306.498 3.009 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)s1 ZINC000512354905 294438877 /nfs/dbraw/zinc/43/88/77/294438877.db2.gz MVKRYNCJXRLVBJ-JOCQHMNTSA-N 2 1 319.449 3.380 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422996474 434159873 /nfs/dbraw/zinc/15/98/73/434159873.db2.gz MFXQMQQLTFENIY-FUMNGEBKSA-N 3 1 321.553 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422996474 434159879 /nfs/dbraw/zinc/15/98/79/434159879.db2.gz MFXQMQQLTFENIY-FUMNGEBKSA-N 2 1 321.553 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422996474 434159888 /nfs/dbraw/zinc/15/98/88/434159888.db2.gz MFXQMQQLTFENIY-FUMNGEBKSA-N 2 1 321.553 3.255 20 0 DGADMP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000423009239 434161464 /nfs/dbraw/zinc/16/14/64/434161464.db2.gz VHJAKUBRNKAKJW-IEBWSBKVSA-N 2 1 319.408 3.478 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006915 434164353 /nfs/dbraw/zinc/16/43/53/434164353.db2.gz WUFCCRQYLZTDDT-IMBTUZDBSA-N 3 1 303.494 3.003 20 0 DGADMP c1c[nH]c([C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)n1 ZINC000363862064 434170127 /nfs/dbraw/zinc/17/01/27/434170127.db2.gz GKWKFTWLVPGHIL-SJLPKXTDSA-N 2 1 310.445 3.106 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000315811575 434172068 /nfs/dbraw/zinc/17/20/68/434172068.db2.gz VYWYHNSPQHXNRO-JWTNVVGKSA-N 2 1 302.462 3.287 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)([NH+](C)C)C1 ZINC000315787283 434173623 /nfs/dbraw/zinc/17/36/23/434173623.db2.gz FZUBAFKQZSJGPS-MUDKKEKZSA-N 2 1 308.510 3.290 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000340515251 434176948 /nfs/dbraw/zinc/17/69/48/434176948.db2.gz OHCJRAPTVVFNJG-IPMKNSEASA-N 2 1 314.473 3.056 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423039179 434181664 /nfs/dbraw/zinc/18/16/64/434181664.db2.gz DVMHRXNTKZSDJG-MSOLQXFVSA-N 2 1 301.478 3.427 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423046538 434186016 /nfs/dbraw/zinc/18/60/16/434186016.db2.gz FNSAEJIUFAXPIL-HUBLWGQQSA-N 2 1 317.399 3.024 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423046644 434186738 /nfs/dbraw/zinc/18/67/38/434186738.db2.gz FNSAEJIUFAXPIL-ZOWXZIJZSA-N 2 1 317.399 3.024 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423047085 434189538 /nfs/dbraw/zinc/18/95/38/434189538.db2.gz USFRYRANDWEKEW-TYNCELHUSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000316612182 434190036 /nfs/dbraw/zinc/19/00/36/434190036.db2.gz ZRFLGMIRUWYMIH-YDZRNGNQSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1=CCCCC1 ZINC000423052279 434193394 /nfs/dbraw/zinc/19/33/94/434193394.db2.gz PLSQFZPNRXATPH-KURKYZTESA-N 2 1 306.494 3.260 20 0 DGADMP CCO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000423085294 434205981 /nfs/dbraw/zinc/20/59/81/434205981.db2.gz JTJJXICKJNOJRX-PWIZWCRZSA-N 2 1 312.457 3.312 20 0 DGADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423076784 434208101 /nfs/dbraw/zinc/20/81/01/434208101.db2.gz ZTDCVFVDVNHMPR-FVQBIDKESA-N 2 1 314.429 3.452 20 0 DGADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423095208 434213303 /nfs/dbraw/zinc/21/33/03/434213303.db2.gz LQFDGBROTVKJLY-RCCFBDPRSA-N 2 1 304.478 3.257 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423090060 434213907 /nfs/dbraw/zinc/21/39/07/434213907.db2.gz WQQKLNKKGCZNOK-HOTGVXAUSA-N 2 1 310.445 3.061 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423090059 434214361 /nfs/dbraw/zinc/21/43/61/434214361.db2.gz WQQKLNKKGCZNOK-CVEARBPZSA-N 2 1 310.445 3.061 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1c[nH+]ccc1N ZINC000423092572 434214865 /nfs/dbraw/zinc/21/48/65/434214865.db2.gz CKHGOBKXMNTBHT-WBIUFABUSA-N 2 1 303.356 3.369 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423088793 434215280 /nfs/dbraw/zinc/21/52/80/434215280.db2.gz SVZDHTHPYOHOQB-QRVBRYPASA-N 2 1 315.505 3.190 20 0 DGADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423095206 434215484 /nfs/dbraw/zinc/21/54/84/434215484.db2.gz LQFDGBROTVKJLY-KURKYZTESA-N 2 1 304.478 3.257 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423099950 434217798 /nfs/dbraw/zinc/21/77/98/434217798.db2.gz FXBYQIMDLQQVEI-GVDBMIGSSA-N 2 1 309.885 3.192 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](Cc2ccccc2)OC)CC1 ZINC000295126043 434220156 /nfs/dbraw/zinc/22/01/56/434220156.db2.gz XMWRVSPQKKONDX-LJQANCHMSA-N 2 1 304.478 3.050 20 0 DGADMP CCC[C@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286106864 434166916 /nfs/dbraw/zinc/16/69/16/434166916.db2.gz UGSUSZIEWMDWFW-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[C@@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286106873 434167717 /nfs/dbraw/zinc/16/77/17/434167717.db2.gz UGSUSZIEWMDWFW-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000353582680 434248058 /nfs/dbraw/zinc/24/80/58/434248058.db2.gz SUUGTADBSFTLSP-AOIWGVFYSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353582680 434248067 /nfs/dbraw/zinc/24/80/67/434248067.db2.gz SUUGTADBSFTLSP-AOIWGVFYSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353582680 434248072 /nfs/dbraw/zinc/24/80/72/434248072.db2.gz SUUGTADBSFTLSP-AOIWGVFYSA-N 2 1 303.494 3.140 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423152822 434252626 /nfs/dbraw/zinc/25/26/26/434252626.db2.gz MNCCVEVKLKVZDX-RTBURBONSA-N 3 1 315.505 3.291 20 0 DGADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423152822 434252635 /nfs/dbraw/zinc/25/26/35/434252635.db2.gz MNCCVEVKLKVZDX-RTBURBONSA-N 3 1 315.505 3.291 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](C)CCO)cc1 ZINC000295201711 434255152 /nfs/dbraw/zinc/25/51/52/434255152.db2.gz YTNMARZBRKAPDV-CABCVRRESA-N 2 1 301.434 3.240 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423162835 434256288 /nfs/dbraw/zinc/25/62/88/434256288.db2.gz QIXQCTOXYDQFRO-UJWQCDCRSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636737 434256308 /nfs/dbraw/zinc/25/63/08/434256308.db2.gz XUQHBMATIUYVFQ-GSEOLPGOSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379636737 434256316 /nfs/dbraw/zinc/25/63/16/434256316.db2.gz XUQHBMATIUYVFQ-GSEOLPGOSA-N 2 1 315.505 3.147 20 0 DGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000295213069 434258393 /nfs/dbraw/zinc/25/83/93/434258393.db2.gz LWHIMDZDDQQYHE-GOSISDBHSA-N 2 1 311.429 3.038 20 0 DGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000295213069 434258407 /nfs/dbraw/zinc/25/84/07/434258407.db2.gz LWHIMDZDDQQYHE-GOSISDBHSA-N 2 1 311.429 3.038 20 0 DGADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000379655612 434261324 /nfs/dbraw/zinc/26/13/24/434261324.db2.gz MFADDMMKDWQIPT-YTQUADARSA-N 2 1 304.478 3.444 20 0 DGADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000379655612 434261327 /nfs/dbraw/zinc/26/13/27/434261327.db2.gz MFADDMMKDWQIPT-YTQUADARSA-N 2 1 304.478 3.444 20 0 DGADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000423172715 434262967 /nfs/dbraw/zinc/26/29/67/434262967.db2.gz UUYSYZWFXQTQSY-NLWGTHIKSA-N 2 1 322.452 3.245 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000423167865 434263078 /nfs/dbraw/zinc/26/30/78/434263078.db2.gz FWNGCBHVHGWDQB-DNVCBOLYSA-N 2 1 311.473 3.427 20 0 DGADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423176949 434266739 /nfs/dbraw/zinc/26/67/39/434266739.db2.gz GTKZTOJUFSWZDS-IUODEOHRSA-N 2 1 311.267 3.235 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423176333 434267331 /nfs/dbraw/zinc/26/73/31/434267331.db2.gz GUKVVDRLOQIVMQ-AWEZNQCLSA-N 2 1 306.450 3.324 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423185277 434273690 /nfs/dbraw/zinc/27/36/90/434273690.db2.gz UYMIYJCVFFFFLZ-ZDUSSCGKSA-N 2 1 315.461 3.229 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000381983817 434273798 /nfs/dbraw/zinc/27/37/98/434273798.db2.gz NOTYFPLNYTYOLB-AFYVEPGGSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H](CCCCO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000295137277 434223168 /nfs/dbraw/zinc/22/31/68/434223168.db2.gz ZALVGHNIDHBREM-KRWDZBQOSA-N 2 1 306.494 3.285 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)c2ccccc21 ZINC000423118638 434226727 /nfs/dbraw/zinc/22/67/27/434226727.db2.gz BPEAMHQHOIITMW-JBBXEZCESA-N 2 1 316.832 3.150 20 0 DGADMP C[C@H]([NH2+]C1(Cc2ccccc2Br)CC1)[C@H]1CCC[NH2+]1 ZINC000423125087 434231658 /nfs/dbraw/zinc/23/16/58/434231658.db2.gz HKYRCLLMCPCKBN-SWLSCSKDSA-N 2 1 323.278 3.254 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N(CC)CC)cc1 ZINC000423131786 434237119 /nfs/dbraw/zinc/23/71/19/434237119.db2.gz OJNMHMJJUDVGPV-MDZRGWNJSA-N 2 1 305.510 3.347 20 0 DGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000353572638 434237768 /nfs/dbraw/zinc/23/77/68/434237768.db2.gz YNCKOPSCYJULOR-CVEARBPZSA-N 2 1 322.493 3.262 20 0 DGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000353572638 434237775 /nfs/dbraw/zinc/23/77/75/434237775.db2.gz YNCKOPSCYJULOR-CVEARBPZSA-N 2 1 322.493 3.262 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(Cl)cc1 ZINC000450604421 434289908 /nfs/dbraw/zinc/28/99/08/434289908.db2.gz WGDXIZKPBADMEG-SQNIBIBYSA-N 2 1 322.880 3.066 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000423213501 434292490 /nfs/dbraw/zinc/29/24/90/434292490.db2.gz NHMJUYGKTPWBSV-MNOVXSKESA-N 2 1 315.230 3.238 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348386087 434295519 /nfs/dbraw/zinc/29/55/19/434295519.db2.gz OKQWFLKVVKZLPA-OALUTQOASA-N 3 1 320.525 3.462 20 0 DGADMP C[C@H](C1CC1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000385566517 434297785 /nfs/dbraw/zinc/29/77/85/434297785.db2.gz OKJYJTSGGZETQM-CYBMUJFWSA-N 2 1 314.433 3.064 20 0 DGADMP C[C@H](C1CC1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000385566517 434297798 /nfs/dbraw/zinc/29/77/98/434297798.db2.gz OKJYJTSGGZETQM-CYBMUJFWSA-N 2 1 314.433 3.064 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423259157 434319154 /nfs/dbraw/zinc/31/91/54/434319154.db2.gz DCJYLXFUTSHPNR-UXPWSPDFSA-N 2 1 315.505 3.004 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259298 434319946 /nfs/dbraw/zinc/31/99/46/434319946.db2.gz DKTYRZVAWQTZDL-OALUTQOASA-N 2 1 322.468 3.271 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000353671778 434323966 /nfs/dbraw/zinc/32/39/66/434323966.db2.gz LRHPBVRGTVFWRI-ZIAGYGMSSA-N 2 1 324.490 3.450 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423263604 434324852 /nfs/dbraw/zinc/32/48/52/434324852.db2.gz BDVQAQIMJRTWGC-CTWPCTMYSA-N 3 1 303.494 3.003 20 0 DGADMP CC(C)[C@H](N)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423263604 434324864 /nfs/dbraw/zinc/32/48/64/434324864.db2.gz BDVQAQIMJRTWGC-CTWPCTMYSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)[C@H](N)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423263604 434324873 /nfs/dbraw/zinc/32/48/73/434324873.db2.gz BDVQAQIMJRTWGC-CTWPCTMYSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000388108582 434325308 /nfs/dbraw/zinc/32/53/08/434325308.db2.gz WSNVLOPGVVEQNC-RDJZCZTQSA-N 2 1 305.466 3.269 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000387790990 434326578 /nfs/dbraw/zinc/32/65/78/434326578.db2.gz MTQXOXZOROUUNK-ZJPYXAASSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000387790990 434326585 /nfs/dbraw/zinc/32/65/85/434326585.db2.gz MTQXOXZOROUUNK-ZJPYXAASSA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423271769 434326488 /nfs/dbraw/zinc/32/64/88/434326488.db2.gz JIGWXTCJKZXKRT-UONOGXRCSA-N 2 1 302.340 3.145 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423269555 434326770 /nfs/dbraw/zinc/32/67/70/434326770.db2.gz HERWHSHLBMYSCH-GOEBONIOSA-N 2 1 314.477 3.304 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423272032 434327185 /nfs/dbraw/zinc/32/71/85/434327185.db2.gz HUYRWSKNXKUYDA-YGRLFVJLSA-N 2 1 302.340 3.016 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423272117 434327413 /nfs/dbraw/zinc/32/74/13/434327413.db2.gz YMRGEOSGQLBXIS-HZPDHXFCSA-N 2 1 306.425 3.319 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423271765 434329026 /nfs/dbraw/zinc/32/90/26/434329026.db2.gz JIGWXTCJKZXKRT-KBPBESRZSA-N 2 1 302.340 3.145 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423277817 434332141 /nfs/dbraw/zinc/33/21/41/434332141.db2.gz OYWDXGMOXYHWNQ-RCCFBDPRSA-N 2 1 306.494 3.236 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)sc1Br ZINC000423275722 434332873 /nfs/dbraw/zinc/33/28/73/434332873.db2.gz NNNZGDOQSADTTK-ZJUUUORDSA-N 2 1 305.285 3.453 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000423321238 434361649 /nfs/dbraw/zinc/36/16/49/434361649.db2.gz FDLCXQFJSAHCKA-FHWLQOOXSA-N 2 1 314.473 3.453 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423325618 434363863 /nfs/dbraw/zinc/36/38/63/434363863.db2.gz QIUXMFKESHUMTC-KGLIPLIRSA-N 2 1 315.230 3.366 20 0 DGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423330095 434364228 /nfs/dbraw/zinc/36/42/28/434364228.db2.gz TXBKKCXJUYVBIN-CJNGLKHVSA-N 2 1 306.450 3.262 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)sc1Br ZINC000423335064 434368793 /nfs/dbraw/zinc/36/87/93/434368793.db2.gz TWPKPPDUCUAOND-VIFPVBQESA-N 2 1 303.269 3.351 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000348522235 434370950 /nfs/dbraw/zinc/37/09/50/434370950.db2.gz WFOPPHDRLSIGFM-RTBURBONSA-N 2 1 313.445 3.309 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)C1CC1 ZINC000423333772 434371452 /nfs/dbraw/zinc/37/14/52/434371452.db2.gz VXDCOWBBGCQQQU-QZTJIDSGSA-N 2 1 315.848 3.346 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCC2CC2)cc1 ZINC000423342015 434372650 /nfs/dbraw/zinc/37/26/50/434372650.db2.gz USPDFJKVGOTGHG-CCKFTAQKSA-N 2 1 302.462 3.309 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)oc21 ZINC000423349711 434377084 /nfs/dbraw/zinc/37/70/84/434377084.db2.gz WETLMEDWYIBJJK-FZKQIMNGSA-N 2 1 302.418 3.482 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423360716 434381086 /nfs/dbraw/zinc/38/10/86/434381086.db2.gz QPRHGLDESGCMAE-CRAIPNDOSA-N 2 1 317.477 3.091 20 0 DGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000358213571 434386498 /nfs/dbraw/zinc/38/64/98/434386498.db2.gz AQUPMSNLXJYSOV-RNQOJCNYSA-N 2 1 314.473 3.371 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1F ZINC000423365623 434386980 /nfs/dbraw/zinc/38/69/80/434386980.db2.gz KPZFUARYYRXRPZ-WDMOLILDSA-N 2 1 300.805 3.026 20 0 DGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423371434 434389336 /nfs/dbraw/zinc/38/93/36/434389336.db2.gz QLCOQFGXLFBITI-GXFFZTMASA-N 2 1 305.422 3.263 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746741 434389803 /nfs/dbraw/zinc/38/98/03/434389803.db2.gz MZIRUEULLDMNCP-HOCLYGCPSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746741 434389815 /nfs/dbraw/zinc/38/98/15/434389815.db2.gz MZIRUEULLDMNCP-HOCLYGCPSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746741 434389826 /nfs/dbraw/zinc/38/98/26/434389826.db2.gz MZIRUEULLDMNCP-HOCLYGCPSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000353746741 434389836 /nfs/dbraw/zinc/38/98/36/434389836.db2.gz MZIRUEULLDMNCP-HOCLYGCPSA-N 2 1 306.450 3.008 20 0 DGADMP CCOc1ccc([C@H](CC)[NH2+][C@H](C[NH3+])C2CC2)cc1OCC ZINC000423285823 434338134 /nfs/dbraw/zinc/33/81/34/434338134.db2.gz YUMAJSMXPMBAGB-JKSUJKDBSA-N 2 1 306.450 3.262 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2ccsc2Br)CC1 ZINC000389004215 434339265 /nfs/dbraw/zinc/33/92/65/434339265.db2.gz UETYMFSWNDVQBO-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423282020 434339274 /nfs/dbraw/zinc/33/92/74/434339274.db2.gz VRFYRHKAVCESPA-UAFMIMERSA-N 2 1 315.505 3.003 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423280753 434339998 /nfs/dbraw/zinc/33/99/98/434339998.db2.gz AACVHPHSWYUELT-LDLYASANSA-N 2 1 315.505 3.289 20 0 DGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423282022 434341287 /nfs/dbraw/zinc/34/12/87/434341287.db2.gz VRFYRHKAVCESPA-WTGUMLROSA-N 2 1 315.505 3.003 20 0 DGADMP CCC([NH3+])(CC)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288780 434345890 /nfs/dbraw/zinc/34/58/90/434345890.db2.gz UZHLUKOPXMQZHO-AEFFLSMTSA-N 2 1 303.494 3.004 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423288662 434346278 /nfs/dbraw/zinc/34/62/78/434346278.db2.gz UEFRWKOAFYZEQI-SJLPKXTDSA-N 2 1 303.494 3.004 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293774 434346967 /nfs/dbraw/zinc/34/69/67/434346967.db2.gz ASCVCLWBOKHNHM-QXAKKESOSA-N 2 1 303.494 3.004 20 0 DGADMP Fc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(F)cn1 ZINC000295407803 434347345 /nfs/dbraw/zinc/34/73/45/434347345.db2.gz MSLGVTSZFALXAC-UHFFFAOYSA-N 2 1 317.383 3.245 20 0 DGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423305783 434353998 /nfs/dbraw/zinc/35/39/98/434353998.db2.gz RLNAJZWVOIMSHX-LBPRGKRZSA-N 2 1 301.459 3.297 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc2)c1 ZINC000423315460 434354122 /nfs/dbraw/zinc/35/41/22/434354122.db2.gz ISXYUZLXEMSQCI-WOJBJXKFSA-N 2 1 310.441 3.306 20 0 DGADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1Cl ZINC000423309052 434355414 /nfs/dbraw/zinc/35/54/14/434355414.db2.gz YSBDMBDSYAMKSP-CYBMUJFWSA-N 2 1 317.658 3.363 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423304951 434355864 /nfs/dbraw/zinc/35/58/64/434355864.db2.gz ZTBIHSOOQQWEMC-TZMCWYRMSA-N 2 1 303.450 3.084 20 0 DGADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000390552009 434359990 /nfs/dbraw/zinc/35/99/90/434359990.db2.gz YHICZXUIKTVBOV-WMQCIHAUSA-N 2 1 321.468 3.385 20 0 DGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000423321390 434360497 /nfs/dbraw/zinc/36/04/97/434360497.db2.gz HMZZWMCHBNOQRG-ZDUSSCGKSA-N 2 1 309.251 3.216 20 0 DGADMP CC[NH2+][C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423385857 434395367 /nfs/dbraw/zinc/39/53/67/434395367.db2.gz KYEBVDPCZDKWHV-IPJUCJBFSA-N 2 1 303.494 3.017 20 0 DGADMP CCN[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423385857 434395380 /nfs/dbraw/zinc/39/53/80/434395380.db2.gz KYEBVDPCZDKWHV-IPJUCJBFSA-N 2 1 303.494 3.017 20 0 DGADMP CCN[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423385857 434395387 /nfs/dbraw/zinc/39/53/87/434395387.db2.gz KYEBVDPCZDKWHV-IPJUCJBFSA-N 2 1 303.494 3.017 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000353749230 434397237 /nfs/dbraw/zinc/39/72/37/434397237.db2.gz VDULXAZEVXTDQC-LPHOPBHVSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000353749230 434397246 /nfs/dbraw/zinc/39/72/46/434397246.db2.gz VDULXAZEVXTDQC-LPHOPBHVSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000353749230 434397253 /nfs/dbraw/zinc/39/72/53/434397253.db2.gz VDULXAZEVXTDQC-LPHOPBHVSA-N 2 1 312.461 3.177 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438090198 434397961 /nfs/dbraw/zinc/39/79/61/434397961.db2.gz UDGSDPCFPWYPHG-ZWKOTPCHSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1F ZINC000423390913 434400749 /nfs/dbraw/zinc/40/07/49/434400749.db2.gz WMEBCJXGDIUDKP-JFGNBEQYSA-N 2 1 315.230 3.379 20 0 DGADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000358657582 434402891 /nfs/dbraw/zinc/40/28/91/434402891.db2.gz CKJMCQPIVLIDAK-ICSRJNTNSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000358657582 434402902 /nfs/dbraw/zinc/40/29/02/434402902.db2.gz CKJMCQPIVLIDAK-ICSRJNTNSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000358657582 434402908 /nfs/dbraw/zinc/40/29/08/434402908.db2.gz CKJMCQPIVLIDAK-ICSRJNTNSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000438101422 434403177 /nfs/dbraw/zinc/40/31/77/434403177.db2.gz GGMFHGOQKNVXIC-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000438101422 434403184 /nfs/dbraw/zinc/40/31/84/434403184.db2.gz GGMFHGOQKNVXIC-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101422 434403192 /nfs/dbraw/zinc/40/31/92/434403192.db2.gz GGMFHGOQKNVXIC-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101422 434403204 /nfs/dbraw/zinc/40/32/04/434403204.db2.gz GGMFHGOQKNVXIC-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000353752412 434406018 /nfs/dbraw/zinc/40/60/18/434406018.db2.gz LDSNGRMNLWNSCI-MAUKXSAKSA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000353752412 434406044 /nfs/dbraw/zinc/40/60/44/434406044.db2.gz LDSNGRMNLWNSCI-MAUKXSAKSA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000353752412 434406054 /nfs/dbraw/zinc/40/60/54/434406054.db2.gz LDSNGRMNLWNSCI-MAUKXSAKSA-N 2 1 312.461 3.381 20 0 DGADMP Cc1cc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000423399845 434406047 /nfs/dbraw/zinc/40/60/47/434406047.db2.gz VFGDGIYPYYLHSE-LNLFQRSKSA-N 2 1 313.420 3.478 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@@H]1C ZINC000353764817 434412671 /nfs/dbraw/zinc/41/26/71/434412671.db2.gz ALUVJRUVLLCWPY-BBRMVZONSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@@H]1C ZINC000353764817 434412682 /nfs/dbraw/zinc/41/26/82/434412682.db2.gz ALUVJRUVLLCWPY-BBRMVZONSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@@H]1C ZINC000353764817 434412692 /nfs/dbraw/zinc/41/26/92/434412692.db2.gz ALUVJRUVLLCWPY-BBRMVZONSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@@H]1C ZINC000353764822 434413003 /nfs/dbraw/zinc/41/30/03/434413003.db2.gz ALUVJRUVLLCWPY-XJKSGUPXSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@@H]1C ZINC000353764822 434413011 /nfs/dbraw/zinc/41/30/11/434413011.db2.gz ALUVJRUVLLCWPY-XJKSGUPXSA-N 2 1 316.449 3.283 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)C[C@@H]1C ZINC000353764822 434413017 /nfs/dbraw/zinc/41/30/17/434413017.db2.gz ALUVJRUVLLCWPY-XJKSGUPXSA-N 2 1 316.449 3.283 20 0 DGADMP CCCC[C@H](CC)CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000438112128 434415998 /nfs/dbraw/zinc/41/59/98/434415998.db2.gz DPVFVOODLYQFBW-OALUTQOASA-N 2 1 309.542 3.305 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132712 434419580 /nfs/dbraw/zinc/41/95/80/434419580.db2.gz ZRXPMCPMVQHWCH-MRXNPFEDSA-N 2 1 318.490 3.444 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132712 434419590 /nfs/dbraw/zinc/41/95/90/434419590.db2.gz ZRXPMCPMVQHWCH-MRXNPFEDSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132712 434419598 /nfs/dbraw/zinc/41/95/98/434419598.db2.gz ZRXPMCPMVQHWCH-MRXNPFEDSA-N 2 1 318.490 3.444 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccsc1 ZINC000438132712 434419608 /nfs/dbraw/zinc/41/96/08/434419608.db2.gz ZRXPMCPMVQHWCH-MRXNPFEDSA-N 2 1 318.490 3.444 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423439414 434425285 /nfs/dbraw/zinc/42/52/85/434425285.db2.gz AAQNBZBQINLDSL-JSGCOSHPSA-N 2 1 302.340 3.363 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000396882018 434427470 /nfs/dbraw/zinc/42/74/70/434427470.db2.gz LLHJPODEZYBQMG-NJAFHUGGSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000396882018 434427476 /nfs/dbraw/zinc/42/74/76/434427476.db2.gz LLHJPODEZYBQMG-NJAFHUGGSA-N 2 1 302.462 3.197 20 0 DGADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423446391 434430433 /nfs/dbraw/zinc/43/04/33/434430433.db2.gz YSIUFLQWRXLGSU-JWOSDPRPSA-N 2 1 322.452 3.442 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000348747207 434473223 /nfs/dbraw/zinc/47/32/23/434473223.db2.gz IPPOFDBHZLMDRJ-OALUTQOASA-N 2 1 320.477 3.050 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)ccc1F ZINC000423529316 434473994 /nfs/dbraw/zinc/47/39/94/434473994.db2.gz PPBIXTURXYLPFM-JTQLQIEISA-N 2 1 315.230 3.381 20 0 DGADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000423522286 434474581 /nfs/dbraw/zinc/47/45/81/434474581.db2.gz UMXDBZKARPGQLS-CTWPCTMYSA-N 2 1 307.526 3.151 20 0 DGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000423526309 434475228 /nfs/dbraw/zinc/47/52/28/434475228.db2.gz LGHMOABEQVQZHO-RBUKOAKNSA-N 2 1 314.473 3.071 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)on1 ZINC000348758002 434480526 /nfs/dbraw/zinc/48/05/26/434480526.db2.gz ZUEWBWPDGQIUKC-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000296031303 434482247 /nfs/dbraw/zinc/48/22/47/434482247.db2.gz QDMFNEXILRKFBI-VQIMIIECSA-N 2 1 324.472 3.492 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000296031303 434482255 /nfs/dbraw/zinc/48/22/55/434482255.db2.gz QDMFNEXILRKFBI-VQIMIIECSA-N 2 1 324.472 3.492 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1(N2CCCCC2)CCCCC1 ZINC000401074733 434490393 /nfs/dbraw/zinc/49/03/93/434490393.db2.gz LKURAAPTMOVRGN-GUDVDZBRSA-N 2 1 319.537 3.153 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423496020 434454812 /nfs/dbraw/zinc/45/48/12/434454812.db2.gz VVOSXEAGFHCMEV-CRAIPNDOSA-N 2 1 302.418 3.098 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398177201 434455840 /nfs/dbraw/zinc/45/58/40/434455840.db2.gz JDDAKHGOJQYJHT-NBYUQASBSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398177201 434455849 /nfs/dbraw/zinc/45/58/49/434455849.db2.gz JDDAKHGOJQYJHT-NBYUQASBSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423493898 434456938 /nfs/dbraw/zinc/45/69/38/434456938.db2.gz RGVXFFHUTRIHNO-QAPCUYQASA-N 2 1 316.445 3.488 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000366770791 434508390 /nfs/dbraw/zinc/50/83/90/434508390.db2.gz GHBPIPYAHNFOOP-HNNXBMFYSA-N 2 1 307.869 3.399 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000366770791 434508396 /nfs/dbraw/zinc/50/83/96/434508396.db2.gz GHBPIPYAHNFOOP-HNNXBMFYSA-N 2 1 307.869 3.399 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2sccc2Br)[C@H]1CC[NH3+] ZINC000404314404 434509471 /nfs/dbraw/zinc/50/94/71/434509471.db2.gz YWPNTLLUUIHPMN-JQWIXIFHSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2sccc2Br)[C@H]1CC[NH3+] ZINC000404314404 434509481 /nfs/dbraw/zinc/50/94/81/434509481.db2.gz YWPNTLLUUIHPMN-JQWIXIFHSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000404381355 434509655 /nfs/dbraw/zinc/50/96/55/434509655.db2.gz ULNUTYOSFKZQOE-CXAGYDPISA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000404381355 434509662 /nfs/dbraw/zinc/50/96/62/434509662.db2.gz ULNUTYOSFKZQOE-CXAGYDPISA-N 2 1 317.408 3.430 20 0 DGADMP Cc1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493053 434513801 /nfs/dbraw/zinc/51/38/01/434513801.db2.gz XGCREKADRZPEJX-WBVHZDCISA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404493053 434513812 /nfs/dbraw/zinc/51/38/12/434513812.db2.gz XGCREKADRZPEJX-WBVHZDCISA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493053 434513818 /nfs/dbraw/zinc/51/38/18/434513818.db2.gz XGCREKADRZPEJX-WBVHZDCISA-N 2 1 315.486 3.452 20 0 DGADMP CC(C)n1nccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000353926939 434529791 /nfs/dbraw/zinc/52/97/91/434529791.db2.gz HRMNAMKWDDGBAK-CALCHBBNSA-N 2 1 306.498 3.312 20 0 DGADMP CCOC(=O)c1coc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000353929865 434531175 /nfs/dbraw/zinc/53/11/75/434531175.db2.gz NKGOUTVMEUDZDM-OAHLLOKOSA-N 2 1 322.449 3.201 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000417880969 434540718 /nfs/dbraw/zinc/54/07/18/434540718.db2.gz QSJBBUNXILBUTM-LSDHHAIUSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000417880969 434540726 /nfs/dbraw/zinc/54/07/26/434540726.db2.gz QSJBBUNXILBUTM-LSDHHAIUSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417935860 434554912 /nfs/dbraw/zinc/55/49/12/434554912.db2.gz RPOPTLDSWYSQRB-MAUKXSAKSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000525697553 295026636 /nfs/dbraw/zinc/02/66/36/295026636.db2.gz ZNBIJCVXUMBGNT-YZGWKJHDSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000525697553 295026639 /nfs/dbraw/zinc/02/66/39/295026639.db2.gz ZNBIJCVXUMBGNT-YZGWKJHDSA-N 2 1 316.489 3.182 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000527636858 295107733 /nfs/dbraw/zinc/10/77/33/295107733.db2.gz FDQNWXMENFEBCF-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000527636858 295107734 /nfs/dbraw/zinc/10/77/34/295107734.db2.gz FDQNWXMENFEBCF-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OCC ZINC000527744037 295124219 /nfs/dbraw/zinc/12/42/19/295124219.db2.gz KLKZPZKOYQPSNC-FQEVSTJZSA-N 2 1 318.505 3.488 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000459378091 434573445 /nfs/dbraw/zinc/57/34/45/434573445.db2.gz PYMZTGSPZUGNHM-CVEARBPZSA-N 2 1 324.900 3.123 20 0 DGADMP CC(C)OC1CC([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000459370864 434568619 /nfs/dbraw/zinc/56/86/19/434568619.db2.gz XQMQGPWNBDHWAS-HDYDNRTBSA-N 2 1 316.489 3.396 20 0 DGADMP CC(C)OC1CC([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459370864 434568626 /nfs/dbraw/zinc/56/86/26/434568626.db2.gz XQMQGPWNBDHWAS-HDYDNRTBSA-N 2 1 316.489 3.396 20 0 DGADMP CC(C)OC1CC([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000459370864 434568634 /nfs/dbraw/zinc/56/86/34/434568634.db2.gz XQMQGPWNBDHWAS-HDYDNRTBSA-N 2 1 316.489 3.396 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000527996639 295162038 /nfs/dbraw/zinc/16/20/38/295162038.db2.gz PXEUIXFHGMWBSY-PXAZEXFGSA-N 2 1 303.425 3.088 20 0 DGADMP c1ccc2c(c1)ccnc2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000528056993 295171521 /nfs/dbraw/zinc/17/15/21/295171521.db2.gz GNZRNWKVLANKHM-QZTJIDSGSA-N 2 1 323.440 3.290 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459436396 434582248 /nfs/dbraw/zinc/58/22/48/434582248.db2.gz XXRBIGNINWCXAA-UXHICEINSA-N 2 1 314.473 3.432 20 0 DGADMP CO[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000528506613 295220541 /nfs/dbraw/zinc/22/05/41/295220541.db2.gz RJGVIFCTIYKXPK-UJJTZGENSA-N 2 1 306.425 3.070 20 0 DGADMP CO[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(F)cc1 ZINC000528506613 295220543 /nfs/dbraw/zinc/22/05/43/295220543.db2.gz RJGVIFCTIYKXPK-UJJTZGENSA-N 2 1 306.425 3.070 20 0 DGADMP CO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(F)cc1 ZINC000528506613 295220544 /nfs/dbraw/zinc/22/05/44/295220544.db2.gz RJGVIFCTIYKXPK-UJJTZGENSA-N 2 1 306.425 3.070 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528570466 295227054 /nfs/dbraw/zinc/22/70/54/295227054.db2.gz GBMBDAZZHNIENE-UHFFFAOYSA-N 2 1 308.441 3.401 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000423957860 434589544 /nfs/dbraw/zinc/58/95/44/434589544.db2.gz PXVKTECPYRMYST-KRWDZBQOSA-N 2 1 319.493 3.022 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000354025508 434585999 /nfs/dbraw/zinc/58/59/99/434585999.db2.gz FEUWCJSYOONVOE-QGZVFWFLSA-N 2 1 316.493 3.262 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459535398 434595909 /nfs/dbraw/zinc/59/59/09/434595909.db2.gz GLPUJIJPXIYKKS-RBUKOAKNSA-N 2 1 316.489 3.354 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC1CCOCC1 ZINC000349151952 434622382 /nfs/dbraw/zinc/62/23/82/434622382.db2.gz PCGPWFCXKYJZEY-UHFFFAOYSA-N 2 1 307.482 3.364 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC1CCOCC1 ZINC000349151952 434622385 /nfs/dbraw/zinc/62/23/85/434622385.db2.gz PCGPWFCXKYJZEY-UHFFFAOYSA-N 2 1 307.482 3.364 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000354123865 434631562 /nfs/dbraw/zinc/63/15/62/434631562.db2.gz DEBYCFATGVJEOI-MRXNPFEDSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cncn2C(C)C)c1 ZINC000424143877 434632666 /nfs/dbraw/zinc/63/26/66/434632666.db2.gz GSTWQTSJKHWANJ-UHFFFAOYSA-N 2 1 300.450 3.206 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424142703 434632775 /nfs/dbraw/zinc/63/27/75/434632775.db2.gz ITMFPOQJXFQQIX-UHFFFAOYSA-N 2 1 323.343 3.083 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000349196321 434632973 /nfs/dbraw/zinc/63/29/73/434632973.db2.gz UZHUMQIHWUDXTB-UHFFFAOYSA-N 2 1 317.481 3.191 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000349196321 434632981 /nfs/dbraw/zinc/63/29/81/434632981.db2.gz UZHUMQIHWUDXTB-UHFFFAOYSA-N 2 1 317.481 3.191 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349196151 434634709 /nfs/dbraw/zinc/63/47/09/434634709.db2.gz UKCRCYKUOFIZTB-OAHLLOKOSA-N 2 1 307.507 3.430 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459637992 434642145 /nfs/dbraw/zinc/64/21/45/434642145.db2.gz SQLXZAQSYVIETI-BGYRXZFFSA-N 2 1 316.489 3.239 20 0 DGADMP COc1ccc2c(c1)CC[N@H+](Cc1cnc3ccc(C)cn13)CC2 ZINC000439775271 434644218 /nfs/dbraw/zinc/64/42/18/434644218.db2.gz PHPNDJXBRHDSKP-UHFFFAOYSA-N 2 1 321.424 3.252 20 0 DGADMP COc1ccc2c(c1)CCN(Cc1cnc3ccc(C)cn13)CC2 ZINC000439775271 434644225 /nfs/dbraw/zinc/64/42/25/434644225.db2.gz PHPNDJXBRHDSKP-UHFFFAOYSA-N 2 1 321.424 3.252 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1F ZINC000459537325 434599328 /nfs/dbraw/zinc/59/93/28/434599328.db2.gz HXFAACWLOCXRCY-KOMQPUFPSA-N 2 1 318.436 3.297 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000360412925 434599603 /nfs/dbraw/zinc/59/96/03/434599603.db2.gz JKIUTYGBBRVKBM-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000360412926 434601326 /nfs/dbraw/zinc/60/13/26/434601326.db2.gz JKIUTYGBBRVKBM-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000354085643 434611933 /nfs/dbraw/zinc/61/19/33/434611933.db2.gz XRNGJYKXYRXURE-QGZVFWFLSA-N 2 1 308.441 3.067 20 0 DGADMP Cc1ccccc1CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371302166 434666783 /nfs/dbraw/zinc/66/67/83/434666783.db2.gz XTTZLYMDUCRWGQ-SLFFLAALSA-N 2 1 316.489 3.111 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000371340354 434673565 /nfs/dbraw/zinc/67/35/65/434673565.db2.gz DKGQRQDTKXEUES-UAFMIMERSA-N 2 1 321.553 3.161 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220305 434675010 /nfs/dbraw/zinc/67/50/10/434675010.db2.gz FCDSXPHWMKVZMH-IRXDYDNUSA-N 2 1 317.477 3.047 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459724415 434675685 /nfs/dbraw/zinc/67/56/85/434675685.db2.gz DKPFFOGVOBYVJQ-LPHOPBHVSA-N 2 1 322.468 3.095 20 0 DGADMP C[C@H]1CC2(C[N@@H+]1Cc1nc(C(F)(F)F)cs1)CC[NH2+]CC2 ZINC000424286007 434677396 /nfs/dbraw/zinc/67/73/96/434677396.db2.gz GQRVVEUTROYPFZ-JTQLQIEISA-N 2 1 319.396 3.126 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1nc(C(F)(F)F)cs1)CC[NH2+]CC2 ZINC000424286007 434677402 /nfs/dbraw/zinc/67/74/02/434677402.db2.gz GQRVVEUTROYPFZ-JTQLQIEISA-N 2 1 319.396 3.126 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccccc1Cl)CC[NH2+]CC2 ZINC000424283762 434677663 /nfs/dbraw/zinc/67/76/63/434677663.db2.gz BZCLNDRUDVVPBA-CQSZACIVSA-N 2 1 308.853 3.183 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccco3)n1)CC[NH2+]CC2 ZINC000424283129 434677759 /nfs/dbraw/zinc/67/77/59/434677759.db2.gz ATVBTDPTIMOFEJ-CYBMUJFWSA-N 2 1 317.458 3.367 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCOc1ccccc1Cl)CC[NH2+]CC2 ZINC000424283761 434677991 /nfs/dbraw/zinc/67/79/91/434677991.db2.gz BZCLNDRUDVVPBA-AWEZNQCLSA-N 2 1 308.853 3.183 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424285612 434678263 /nfs/dbraw/zinc/67/82/63/434678263.db2.gz GCBBOWDSAIUUFU-MRXNPFEDSA-N 2 1 302.462 3.092 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440108715 434678257 /nfs/dbraw/zinc/67/82/57/434678257.db2.gz RUBOQVSNBCXBQE-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccs1 ZINC000349340940 434679565 /nfs/dbraw/zinc/67/95/65/434679565.db2.gz AGADIFCFHPAQIB-UHFFFAOYSA-N 2 1 318.490 3.446 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccs1 ZINC000349340940 434679571 /nfs/dbraw/zinc/67/95/71/434679571.db2.gz AGADIFCFHPAQIB-UHFFFAOYSA-N 2 1 318.490 3.446 20 0 DGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC(C)C ZINC000459729416 434680973 /nfs/dbraw/zinc/68/09/73/434680973.db2.gz JHMDWTFHWSSOBK-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000459732781 434682107 /nfs/dbraw/zinc/68/21/07/434682107.db2.gz MWYOGPXRBABODL-INIZCTEOSA-N 2 1 319.468 3.247 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000459734083 434682238 /nfs/dbraw/zinc/68/22/38/434682238.db2.gz GSEKAWXMQAIHSJ-QAPCUYQASA-N 2 1 304.503 3.339 20 0 DGADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424296582 434683343 /nfs/dbraw/zinc/68/33/43/434683343.db2.gz RYYHTYYOENEQNC-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1nc(C(C)(C)C)cs1)CC[NH2+]CC2 ZINC000424300490 434684595 /nfs/dbraw/zinc/68/45/95/434684595.db2.gz WJPDYGMTJQDILF-ZDUSSCGKSA-N 2 1 307.507 3.405 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1O ZINC000360745521 434684761 /nfs/dbraw/zinc/68/47/61/434684761.db2.gz BVXRYPGQEVXGGH-ZIAGYGMSSA-N 2 1 324.852 3.161 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)c1O ZINC000360745521 434684765 /nfs/dbraw/zinc/68/47/65/434684765.db2.gz BVXRYPGQEVXGGH-ZIAGYGMSSA-N 2 1 324.852 3.161 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300569 434685394 /nfs/dbraw/zinc/68/53/94/434685394.db2.gz WTXOMVYUUIXTAV-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1nc(C(C)(C)[NH2+]C[C@@H](C[NH3+])c2ccc(F)cc2)sc1C ZINC000424304981 434688055 /nfs/dbraw/zinc/68/80/55/434688055.db2.gz RMVWWPQCQFLDCN-CQSZACIVSA-N 2 1 321.465 3.466 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cccn2)cc1 ZINC000349360318 434689805 /nfs/dbraw/zinc/68/98/05/434689805.db2.gz ADZVMIUPEMJJFX-UHFFFAOYSA-N 2 1 312.461 3.180 20 0 DGADMP CN(C)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411214089 434746494 /nfs/dbraw/zinc/74/64/94/434746494.db2.gz DSRSPNJDDUMSNQ-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CN(C)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411214089 434746499 /nfs/dbraw/zinc/74/64/99/434746499.db2.gz DSRSPNJDDUMSNQ-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411249579 434749211 /nfs/dbraw/zinc/74/92/11/434749211.db2.gz DFYNFNYYEQGRBP-FXAWDEMLSA-N 2 1 316.489 3.408 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000360970341 434749891 /nfs/dbraw/zinc/74/98/91/434749891.db2.gz PPMSUMDZSJVGQX-QGZVFWFLSA-N 2 1 310.507 3.113 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204100 434750142 /nfs/dbraw/zinc/75/01/42/434750142.db2.gz ITBQECVTTINJNX-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204100 434750148 /nfs/dbraw/zinc/75/01/48/434750148.db2.gz ITBQECVTTINJNX-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000419204100 434750155 /nfs/dbraw/zinc/75/01/55/434750155.db2.gz ITBQECVTTINJNX-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOCC2CCC2)C1 ZINC000419204100 434750162 /nfs/dbraw/zinc/75/01/62/434750162.db2.gz ITBQECVTTINJNX-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424364732 434711127 /nfs/dbraw/zinc/71/11/27/434711127.db2.gz FEJIWKJWSVYYKH-QZTJIDSGSA-N 2 1 310.445 3.209 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000424371454 434713610 /nfs/dbraw/zinc/71/36/10/434713610.db2.gz VCYWASRXCTZOOF-CHWSQXEVSA-N 2 1 317.658 3.462 20 0 DGADMP CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424383298 434715612 /nfs/dbraw/zinc/71/56/12/434715612.db2.gz TZEQZURSGWYZGP-AWEZNQCLSA-N 2 1 306.425 3.188 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782658 434720244 /nfs/dbraw/zinc/72/02/44/434720244.db2.gz MTPVPVSFOYWWHP-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000354333460 434727196 /nfs/dbraw/zinc/72/71/96/434727196.db2.gz YYPUDLDQHQBTDZ-RBUKOAKNSA-N 2 1 304.478 3.433 20 0 DGADMP CCC(C)(C)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000441519011 434766500 /nfs/dbraw/zinc/76/65/00/434766500.db2.gz CAOYOKSBFCRPKU-HDICACEKSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H]1OCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC000411318082 434759841 /nfs/dbraw/zinc/75/98/41/434759841.db2.gz DGGNCKHMZZCYFA-IAGOWNOFSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H]1OCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC000411318082 434759846 /nfs/dbraw/zinc/75/98/46/434759846.db2.gz DGGNCKHMZZCYFA-IAGOWNOFSA-N 2 1 302.462 3.282 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000411313180 434760265 /nfs/dbraw/zinc/76/02/65/434760265.db2.gz XEOIRIJFFGUHLQ-UHFFFAOYSA-N 2 1 310.445 3.095 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000411313180 434760272 /nfs/dbraw/zinc/76/02/72/434760272.db2.gz XEOIRIJFFGUHLQ-UHFFFAOYSA-N 2 1 310.445 3.095 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1(C)C ZINC000441334900 434763975 /nfs/dbraw/zinc/76/39/75/434763975.db2.gz WYGKSZZSIWJQOV-UHFFFAOYSA-N 2 1 309.542 3.207 20 0 DGADMP C[C@H]1COCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411400970 434773491 /nfs/dbraw/zinc/77/34/91/434773491.db2.gz LKAUTRYYACOVDL-QGZVFWFLSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411398120 434774469 /nfs/dbraw/zinc/77/44/69/434774469.db2.gz AXWVFLRJWAZKMG-FXAWDEMLSA-N 2 1 316.489 3.408 20 0 DGADMP C[C@@H](CC[NH+](C)[C@@H]1CCSC1)CC[N@@H+](C)[C@H]1CCSC1 ZINC000411409595 434776885 /nfs/dbraw/zinc/77/68/85/434776885.db2.gz TWMSPHMCKVLHQA-MUJYYYPQSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@H](CC[NH+](C)[C@H]1CCSC1)CC[N@H+](C)[C@@H]1CCSC1 ZINC000411409595 434776888 /nfs/dbraw/zinc/77/68/88/434776888.db2.gz TWMSPHMCKVLHQA-MUJYYYPQSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@H](CC[NH+](C)[C@H]1CCSC1)CC[N@@H+](C)[C@@H]1CCSC1 ZINC000411409595 434776892 /nfs/dbraw/zinc/77/68/92/434776892.db2.gz TWMSPHMCKVLHQA-MUJYYYPQSA-N 2 1 316.580 3.277 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000453105416 434802125 /nfs/dbraw/zinc/80/21/25/434802125.db2.gz BSFRENVSFDIFAE-CABCVRRESA-N 2 1 308.491 3.208 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453136470 434813732 /nfs/dbraw/zinc/81/37/32/434813732.db2.gz XFIGXUJPQMQZPF-WCIQWLHISA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000453178229 434823614 /nfs/dbraw/zinc/82/36/14/434823614.db2.gz SIPOGBQEWRAMFD-LNLFQRSKSA-N 2 1 324.472 3.428 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453209680 434829669 /nfs/dbraw/zinc/82/96/69/434829669.db2.gz ZEROHJRKGFUUMT-QRVBRYPASA-N 2 1 316.489 3.180 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372742689 434851278 /nfs/dbraw/zinc/85/12/78/434851278.db2.gz QKHBNDVISFKWBZ-UFYCRDLUSA-N 2 1 319.537 3.079 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637886983 434901015 /nfs/dbraw/zinc/90/10/15/434901015.db2.gz OAMDYJNUOWNKLU-KRWDZBQOSA-N 2 1 318.461 3.107 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637886983 434901020 /nfs/dbraw/zinc/90/10/20/434901020.db2.gz OAMDYJNUOWNKLU-KRWDZBQOSA-N 2 1 318.461 3.107 20 0 DGADMP C[C@H]1CC[N@@H+](CCNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000553999075 434909206 /nfs/dbraw/zinc/90/92/06/434909206.db2.gz BNFGTDNARBCHNS-SFHVURJKSA-N 2 1 317.521 3.076 20 0 DGADMP C[C@H]1CC[NH+](CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000553999075 434909211 /nfs/dbraw/zinc/90/92/11/434909211.db2.gz BNFGTDNARBCHNS-SFHVURJKSA-N 2 1 317.521 3.076 20 0 DGADMP C[C@H]1CC[NH+](CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000553999075 434909213 /nfs/dbraw/zinc/90/92/13/434909213.db2.gz BNFGTDNARBCHNS-SFHVURJKSA-N 2 1 317.521 3.076 20 0 DGADMP CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000552648054 434867950 /nfs/dbraw/zinc/86/79/50/434867950.db2.gz KYILFBGJDNDWMA-QGZVFWFLSA-N 2 1 312.498 3.018 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000638020336 434936149 /nfs/dbraw/zinc/93/61/49/434936149.db2.gz HHQRGHOMTRIVPO-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@@](C)(C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000638031310 434937442 /nfs/dbraw/zinc/93/74/42/434937442.db2.gz OLUWMOCGJIJHQO-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@](C)(C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000638031310 434937446 /nfs/dbraw/zinc/93/74/46/434937446.db2.gz OLUWMOCGJIJHQO-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCCCCC1 ZINC000554628719 434939760 /nfs/dbraw/zinc/93/97/60/434939760.db2.gz VCPZELSKFPMDHK-HXUWFJFHSA-N 2 1 316.489 3.456 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000554817689 434947265 /nfs/dbraw/zinc/94/72/65/434947265.db2.gz RJSWBXKDMLEMPK-QRQLOZEOSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000554817689 434947267 /nfs/dbraw/zinc/94/72/67/434947267.db2.gz RJSWBXKDMLEMPK-QRQLOZEOSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000554817689 434947271 /nfs/dbraw/zinc/94/72/71/434947271.db2.gz RJSWBXKDMLEMPK-QRQLOZEOSA-N 2 1 318.505 3.427 20 0 DGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638073031 434947776 /nfs/dbraw/zinc/94/77/76/434947776.db2.gz WSIFXHNSVQDAME-MRXNPFEDSA-N 2 1 324.428 3.041 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000554939392 434954909 /nfs/dbraw/zinc/95/49/09/434954909.db2.gz UBBIBYHBVBBWTO-AZUAARDMSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000554939392 434954913 /nfs/dbraw/zinc/95/49/13/434954913.db2.gz UBBIBYHBVBBWTO-AZUAARDMSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000554939392 434954915 /nfs/dbraw/zinc/95/49/15/434954915.db2.gz UBBIBYHBVBBWTO-AZUAARDMSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000554939392 434954919 /nfs/dbraw/zinc/95/49/19/434954919.db2.gz UBBIBYHBVBBWTO-AZUAARDMSA-N 2 1 318.505 3.093 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000554939392 434954921 /nfs/dbraw/zinc/95/49/21/434954921.db2.gz UBBIBYHBVBBWTO-AZUAARDMSA-N 2 1 318.505 3.093 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC000638115464 434955078 /nfs/dbraw/zinc/95/50/78/434955078.db2.gz CRDMBPNBKUKLBY-JLJPHGGASA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC000638115464 434955082 /nfs/dbraw/zinc/95/50/82/434955082.db2.gz CRDMBPNBKUKLBY-JLJPHGGASA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000638115464 434955086 /nfs/dbraw/zinc/95/50/86/434955086.db2.gz CRDMBPNBKUKLBY-JLJPHGGASA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000638115464 434955090 /nfs/dbraw/zinc/95/50/90/434955090.db2.gz CRDMBPNBKUKLBY-JLJPHGGASA-N 2 1 318.461 3.106 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638113583 434956239 /nfs/dbraw/zinc/95/62/39/434956239.db2.gz PQCTUADSUIHILV-NSHGMRRFSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638113583 434956241 /nfs/dbraw/zinc/95/62/41/434956241.db2.gz PQCTUADSUIHILV-NSHGMRRFSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638113583 434956244 /nfs/dbraw/zinc/95/62/44/434956244.db2.gz PQCTUADSUIHILV-NSHGMRRFSA-N 2 1 315.505 3.175 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000555377268 434970883 /nfs/dbraw/zinc/97/08/83/434970883.db2.gz KVNDHRRYZIRHFE-UYAOXDASSA-N 2 1 321.553 3.303 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000462841402 434932973 /nfs/dbraw/zinc/93/29/73/434932973.db2.gz PCWVARAZLFPNRK-JXFKEZNVSA-N 2 1 316.489 3.401 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000462841403 434933292 /nfs/dbraw/zinc/93/32/92/434933292.db2.gz PCWVARAZLFPNRK-OXJNMPFZSA-N 2 1 316.489 3.401 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000556589295 435013279 /nfs/dbraw/zinc/01/32/79/435013279.db2.gz SKIXEPROEGFBER-MOPGFXCFSA-N 2 1 314.473 3.449 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638370952 435015238 /nfs/dbraw/zinc/01/52/38/435015238.db2.gz HLKUNHUNLUAUDH-MJGOQNOKSA-N 2 1 302.462 3.371 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638370952 435015242 /nfs/dbraw/zinc/01/52/42/435015242.db2.gz HLKUNHUNLUAUDH-MJGOQNOKSA-N 2 1 302.462 3.371 20 0 DGADMP COCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638370949 435015903 /nfs/dbraw/zinc/01/59/03/435015903.db2.gz HLKUNHUNLUAUDH-HKUYNNGSSA-N 2 1 302.462 3.371 20 0 DGADMP COCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638370949 435015906 /nfs/dbraw/zinc/01/59/06/435015906.db2.gz HLKUNHUNLUAUDH-HKUYNNGSSA-N 2 1 302.462 3.371 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000556675694 435016514 /nfs/dbraw/zinc/01/65/14/435016514.db2.gz HMXRIPLCKVPBCQ-HNNXBMFYSA-N 2 1 313.445 3.063 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000556675694 435016517 /nfs/dbraw/zinc/01/65/17/435016517.db2.gz HMXRIPLCKVPBCQ-HNNXBMFYSA-N 2 1 313.445 3.063 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000556776961 435023025 /nfs/dbraw/zinc/02/30/25/435023025.db2.gz HEYAZWUXYWQMSW-IAGOWNOFSA-N 2 1 324.472 3.244 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638411474 435025332 /nfs/dbraw/zinc/02/53/32/435025332.db2.gz ISVXYECHLNAYQI-QWFCFKBJSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638411474 435025336 /nfs/dbraw/zinc/02/53/36/435025336.db2.gz ISVXYECHLNAYQI-QWFCFKBJSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000556810651 435027968 /nfs/dbraw/zinc/02/79/68/435027968.db2.gz GQGCLHGMPHSZEI-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443407 435030864 /nfs/dbraw/zinc/03/08/64/435030864.db2.gz MVZMBQIPESOMFY-RLLQIKCJSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443407 435030869 /nfs/dbraw/zinc/03/08/69/435030869.db2.gz MVZMBQIPESOMFY-RLLQIKCJSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443407 435030872 /nfs/dbraw/zinc/03/08/72/435030872.db2.gz MVZMBQIPESOMFY-RLLQIKCJSA-N 2 1 313.489 3.038 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000555533252 434977508 /nfs/dbraw/zinc/97/75/08/434977508.db2.gz DHGJRHXNFHQSOF-KSZLIROESA-N 2 1 324.509 3.210 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000556094585 434995623 /nfs/dbraw/zinc/99/56/23/434995623.db2.gz XJENBUQDAVPURJ-NTZUZEMLSA-N 2 1 314.473 3.225 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000556094585 434995626 /nfs/dbraw/zinc/99/56/26/434995626.db2.gz XJENBUQDAVPURJ-NTZUZEMLSA-N 2 1 314.473 3.225 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1Cl ZINC000638289894 434997845 /nfs/dbraw/zinc/99/78/45/434997845.db2.gz BSHXEOXCEKZXJO-ZDUSSCGKSA-N 2 1 310.869 3.226 20 0 DGADMP CCCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000574726010 435000232 /nfs/dbraw/zinc/00/02/32/435000232.db2.gz RUKHZMOEOYUHSO-UXHICEINSA-N 2 1 318.505 3.381 20 0 DGADMP CCCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000574726010 435000234 /nfs/dbraw/zinc/00/02/34/435000234.db2.gz RUKHZMOEOYUHSO-UXHICEINSA-N 2 1 318.505 3.381 20 0 DGADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)onc1C1CC1 ZINC000638310246 435001801 /nfs/dbraw/zinc/00/18/01/435001801.db2.gz RGIUVMJILPXFJH-UHFFFAOYSA-N 2 1 311.429 3.438 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000530902401 435058462 /nfs/dbraw/zinc/05/84/62/435058462.db2.gz VDODIGHJTBONQU-DOTOQJQBSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000530902401 435058468 /nfs/dbraw/zinc/05/84/68/435058468.db2.gz VDODIGHJTBONQU-DOTOQJQBSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000530902401 435058471 /nfs/dbraw/zinc/05/84/71/435058471.db2.gz VDODIGHJTBONQU-DOTOQJQBSA-N 2 1 308.441 3.399 20 0 DGADMP CO[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000638610709 435058674 /nfs/dbraw/zinc/05/86/74/435058674.db2.gz DSHCPBVIJKLPBN-KXBFYZLASA-N 2 1 302.462 3.227 20 0 DGADMP OC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000638609277 435059032 /nfs/dbraw/zinc/05/90/32/435059032.db2.gz JIVLEOVLJQPTJT-PKOBYXMFSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000638609277 435059035 /nfs/dbraw/zinc/05/90/35/435059035.db2.gz JIVLEOVLJQPTJT-PKOBYXMFSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638610623 435059751 /nfs/dbraw/zinc/05/97/51/435059751.db2.gz CGKQZAVAZZBYBT-APWZRJJASA-N 2 1 302.462 3.371 20 0 DGADMP OC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000638609275 435059847 /nfs/dbraw/zinc/05/98/47/435059847.db2.gz JIVLEOVLJQPTJT-IEBWSBKVSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000638609275 435059850 /nfs/dbraw/zinc/05/98/50/435059850.db2.gz JIVLEOVLJQPTJT-IEBWSBKVSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638610626 435059971 /nfs/dbraw/zinc/05/99/71/435059971.db2.gz CGKQZAVAZZBYBT-VQIMIIECSA-N 2 1 302.462 3.371 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@@H]3CC3(F)F)CCCC2)CC1 ZINC000638636773 435062623 /nfs/dbraw/zinc/06/26/23/435062623.db2.gz GTSPPDOCPWZAPF-HIFRSBDPSA-N 2 1 316.436 3.043 20 0 DGADMP C[C@H](CCO)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638660837 435066081 /nfs/dbraw/zinc/06/60/81/435066081.db2.gz WKJIQMBCBZFSID-YLJYHZDGSA-N 2 1 318.505 3.285 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCSC3)CC[N@H+]2C2CC2)cc1 ZINC000638714564 435074926 /nfs/dbraw/zinc/07/49/26/435074926.db2.gz HCZYIHUWNQBLNC-NUJGCVRESA-N 2 1 302.487 3.450 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCSC3)CC[N@@H+]2C2CC2)cc1 ZINC000638714564 435074930 /nfs/dbraw/zinc/07/49/30/435074930.db2.gz HCZYIHUWNQBLNC-NUJGCVRESA-N 2 1 302.487 3.450 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638716447 435075247 /nfs/dbraw/zinc/07/52/47/435075247.db2.gz AWYXSKVBCYNCPL-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638716447 435075253 /nfs/dbraw/zinc/07/52/53/435075253.db2.gz AWYXSKVBCYNCPL-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719441 435076832 /nfs/dbraw/zinc/07/68/32/435076832.db2.gz PTFLXYGWQAKMNE-SGZDXZSOSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719441 435076835 /nfs/dbraw/zinc/07/68/35/435076835.db2.gz PTFLXYGWQAKMNE-SGZDXZSOSA-N 2 1 324.472 3.087 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638451987 435036166 /nfs/dbraw/zinc/03/61/66/435036166.db2.gz SQVKHJBOXPYVPP-QUCCMNQESA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638451987 435036169 /nfs/dbraw/zinc/03/61/69/435036169.db2.gz SQVKHJBOXPYVPP-QUCCMNQESA-N 3 1 315.505 3.286 20 0 DGADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638477553 435040075 /nfs/dbraw/zinc/04/00/75/435040075.db2.gz LXYUANGEUQPPSC-ICSRJNTNSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638477553 435040078 /nfs/dbraw/zinc/04/00/78/435040078.db2.gz LXYUANGEUQPPSC-ICSRJNTNSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638477553 435040079 /nfs/dbraw/zinc/04/00/79/435040079.db2.gz LXYUANGEUQPPSC-ICSRJNTNSA-N 2 1 315.505 3.284 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000579340195 435146829 /nfs/dbraw/zinc/14/68/29/435146829.db2.gz LAAVIBQCXUCBPL-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Cl)cn1 ZINC000579340195 435146833 /nfs/dbraw/zinc/14/68/33/435146833.db2.gz LAAVIBQCXUCBPL-UHFFFAOYSA-N 2 1 306.841 3.406 20 0 DGADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000578617075 435096018 /nfs/dbraw/zinc/09/60/18/435096018.db2.gz RVCJRRYCQKIMFB-VAMGGRTRSA-N 2 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000578617075 435096023 /nfs/dbraw/zinc/09/60/23/435096023.db2.gz RVCJRRYCQKIMFB-VAMGGRTRSA-N 3 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000578617075 435096025 /nfs/dbraw/zinc/09/60/25/435096025.db2.gz RVCJRRYCQKIMFB-VAMGGRTRSA-N 3 1 315.505 3.019 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000474475151 435149233 /nfs/dbraw/zinc/14/92/33/435149233.db2.gz IBKRSGDKZNOUFB-BQFCYCMXSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638849125 435103440 /nfs/dbraw/zinc/10/34/40/435103440.db2.gz QCOKBEWKFLPYDR-NZSAHSFTSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638849125 435103443 /nfs/dbraw/zinc/10/34/43/435103443.db2.gz QCOKBEWKFLPYDR-NZSAHSFTSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCC1 ZINC000531677673 435109218 /nfs/dbraw/zinc/10/92/18/435109218.db2.gz KALKYWASUSEGKR-RDJZCZTQSA-N 2 1 321.534 3.205 20 0 DGADMP Cc1ccc(CC[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000638874527 435110643 /nfs/dbraw/zinc/11/06/43/435110643.db2.gz UUMDWRGKYFUYCD-UHFFFAOYSA-N 2 1 324.472 3.203 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715957 435113702 /nfs/dbraw/zinc/11/37/02/435113702.db2.gz GZKXCOWRMGUVFD-JYBIWHBTSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715957 435113710 /nfs/dbraw/zinc/11/37/10/435113710.db2.gz GZKXCOWRMGUVFD-JYBIWHBTSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715957 435113714 /nfs/dbraw/zinc/11/37/14/435113714.db2.gz GZKXCOWRMGUVFD-JYBIWHBTSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C1CCCCC1 ZINC000559145243 435123198 /nfs/dbraw/zinc/12/31/98/435123198.db2.gz GGMRXAAVKJZTTP-WSTZPKSXSA-N 2 1 321.553 3.161 20 0 DGADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000559312606 435127788 /nfs/dbraw/zinc/12/77/88/435127788.db2.gz XUUNLOWRVYRTPE-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000559312606 435127792 /nfs/dbraw/zinc/12/77/92/435127792.db2.gz XUUNLOWRVYRTPE-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000559312606 435127796 /nfs/dbraw/zinc/12/77/96/435127796.db2.gz XUUNLOWRVYRTPE-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP CC[N@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000469293623 435130419 /nfs/dbraw/zinc/13/04/19/435130419.db2.gz IKTSVCKUCMPZFI-MOPGFXCFSA-N 2 1 321.553 3.495 20 0 DGADMP OCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639037679 435133582 /nfs/dbraw/zinc/13/35/82/435133582.db2.gz LKJAYYXIGDMBLE-PKOBYXMFSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639037679 435133584 /nfs/dbraw/zinc/13/35/84/435133584.db2.gz LKJAYYXIGDMBLE-PKOBYXMFSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639037676 435133786 /nfs/dbraw/zinc/13/37/86/435133786.db2.gz LKJAYYXIGDMBLE-HKUYNNGSSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639037676 435133787 /nfs/dbraw/zinc/13/37/87/435133787.db2.gz LKJAYYXIGDMBLE-HKUYNNGSSA-N 2 1 314.473 3.107 20 0 DGADMP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000559919625 435143098 /nfs/dbraw/zinc/14/30/98/435143098.db2.gz OHHCSFRNBCVUFQ-ZWJWXYIHSA-N 2 1 302.437 3.377 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)CC1 ZINC000639177012 435183881 /nfs/dbraw/zinc/18/38/81/435183881.db2.gz OHNQVULGDNHLOR-AWEZNQCLSA-N 2 1 317.408 3.131 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000579852668 435188417 /nfs/dbraw/zinc/18/84/17/435188417.db2.gz TUXQDXPTRMZBKB-ABAIWWIYSA-N 2 1 311.267 3.187 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000475350071 435192671 /nfs/dbraw/zinc/19/26/71/435192671.db2.gz BOFOYGRWYPFHHL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000475350071 435192673 /nfs/dbraw/zinc/19/26/73/435192673.db2.gz BOFOYGRWYPFHHL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000475350071 435192676 /nfs/dbraw/zinc/19/26/76/435192676.db2.gz BOFOYGRWYPFHHL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000475350071 435192681 /nfs/dbraw/zinc/19/26/81/435192681.db2.gz BOFOYGRWYPFHHL-IBGZPJMESA-N 2 1 316.489 3.346 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222531 435201865 /nfs/dbraw/zinc/20/18/65/435201865.db2.gz LUXOYBGUAFMIMJ-IMFGXOCKSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222531 435201868 /nfs/dbraw/zinc/20/18/68/435201868.db2.gz LUXOYBGUAFMIMJ-IMFGXOCKSA-N 2 1 316.489 3.495 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3=CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639219693 435202172 /nfs/dbraw/zinc/20/21/72/435202172.db2.gz OYWXAQBKKBECOE-AZUAARDMSA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3=CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639219693 435202176 /nfs/dbraw/zinc/20/21/76/435202176.db2.gz OYWXAQBKKBECOE-AZUAARDMSA-N 2 1 312.457 3.291 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639111592 435157540 /nfs/dbraw/zinc/15/75/40/435157540.db2.gz BGMTZYWBYMQMTF-WDYCEAGBSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639111592 435157544 /nfs/dbraw/zinc/15/75/44/435157544.db2.gz BGMTZYWBYMQMTF-WDYCEAGBSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](O)CC[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639106952 435157765 /nfs/dbraw/zinc/15/77/65/435157765.db2.gz YHHRAXSLQNEQOW-PXNSSMCTSA-N 2 1 318.505 3.285 20 0 DGADMP CCC[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114961 435160235 /nfs/dbraw/zinc/16/02/35/435160235.db2.gz QRAQJTMETIRRFB-QGZVFWFLSA-N 2 1 305.466 3.214 20 0 DGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCC2(C)C)c2cccs2)CC1 ZINC000532441638 435165933 /nfs/dbraw/zinc/16/59/33/435165933.db2.gz CGVOCRVXHUDAHG-WBVHZDCISA-N 2 1 321.534 3.205 20 0 DGADMP C[C@@H](NCc1c[nH]cn1)c1ccc(OCc2cccnc2)cc1 ZINC000580144701 435206944 /nfs/dbraw/zinc/20/69/44/435206944.db2.gz IXKNHFWIUTXBDS-CQSZACIVSA-N 2 1 308.385 3.235 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000532479858 435170184 /nfs/dbraw/zinc/17/01/84/435170184.db2.gz UTMYDSBKBSZUJE-LAUBAEHRSA-N 2 1 324.468 3.461 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC=C(C)CC3)CCCC2)CC1 ZINC000560484141 435172588 /nfs/dbraw/zinc/17/25/88/435172588.db2.gz BGUDNBCIOGFKSG-KRWDZBQOSA-N 2 1 306.494 3.498 20 0 DGADMP OC1(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639148087 435175187 /nfs/dbraw/zinc/17/51/87/435175187.db2.gz BLHBELAYQVOQEO-MJGOQNOKSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639148087 435175190 /nfs/dbraw/zinc/17/51/90/435175190.db2.gz BLHBELAYQVOQEO-MJGOQNOKSA-N 2 1 314.473 3.249 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000560547810 435179000 /nfs/dbraw/zinc/17/90/00/435179000.db2.gz CNJKQJRHCYVCPR-NLWGTHIKSA-N 2 1 315.505 3.494 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)ccn1 ZINC000580338206 435225057 /nfs/dbraw/zinc/22/50/57/435225057.db2.gz NYOHBEOCFNRABA-OAHLLOKOSA-N 2 1 305.466 3.395 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)ccn1 ZINC000580338206 435225061 /nfs/dbraw/zinc/22/50/61/435225061.db2.gz NYOHBEOCFNRABA-OAHLLOKOSA-N 2 1 305.466 3.395 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639235992 435208557 /nfs/dbraw/zinc/20/85/57/435208557.db2.gz WIKDDLNHLGMNSO-QRQLOZEOSA-N 2 1 314.473 3.369 20 0 DGADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639235992 435208561 /nfs/dbraw/zinc/20/85/61/435208561.db2.gz WIKDDLNHLGMNSO-QRQLOZEOSA-N 2 1 314.473 3.369 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639238360 435209304 /nfs/dbraw/zinc/20/93/04/435209304.db2.gz KIQKGKHXQLZFPY-KVPLUYHFSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639238360 435209308 /nfs/dbraw/zinc/20/93/08/435209308.db2.gz KIQKGKHXQLZFPY-KVPLUYHFSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000533375680 435229871 /nfs/dbraw/zinc/22/98/71/435229871.db2.gz WORCWBGAPDQRFS-HCXYKTFWSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000533375680 435229877 /nfs/dbraw/zinc/22/98/77/435229877.db2.gz WORCWBGAPDQRFS-HCXYKTFWSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000533375680 435229881 /nfs/dbraw/zinc/22/98/81/435229881.db2.gz WORCWBGAPDQRFS-HCXYKTFWSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639288201 435230448 /nfs/dbraw/zinc/23/04/48/435230448.db2.gz DUNKKLZPROIFCO-GOSISDBHSA-N 2 1 303.494 3.080 20 0 DGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561777311 435233733 /nfs/dbraw/zinc/23/37/33/435233733.db2.gz MWZGRJXWRRIJCZ-CMKODMSKSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000561777311 435233739 /nfs/dbraw/zinc/23/37/39/435233739.db2.gz MWZGRJXWRRIJCZ-CMKODMSKSA-N 2 1 318.505 3.428 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000639306174 435238024 /nfs/dbraw/zinc/23/80/24/435238024.db2.gz JQEMDQOGDVKDQD-YTQUADARSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000639306174 435238029 /nfs/dbraw/zinc/23/80/29/435238029.db2.gz JQEMDQOGDVKDQD-YTQUADARSA-N 2 1 300.446 3.123 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311439 435238063 /nfs/dbraw/zinc/23/80/63/435238063.db2.gz SMGBMFKCSWLDFH-WDYCEAGBSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311439 435238066 /nfs/dbraw/zinc/23/80/66/435238066.db2.gz SMGBMFKCSWLDFH-WDYCEAGBSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311429 435239178 /nfs/dbraw/zinc/23/91/78/435239178.db2.gz SMGBMFKCSWLDFH-KVSKMBFKSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1(CO)CC1 ZINC000639311429 435239180 /nfs/dbraw/zinc/23/91/80/435239180.db2.gz SMGBMFKCSWLDFH-KVSKMBFKSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639305995 435239627 /nfs/dbraw/zinc/23/96/27/435239627.db2.gz ZFBTZVYTDOVBBM-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639305995 435239631 /nfs/dbraw/zinc/23/96/31/435239631.db2.gz ZFBTZVYTDOVBBM-YZGWKJHDSA-N 2 1 314.473 3.105 20 0 DGADMP CC(C)O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000639347049 435254936 /nfs/dbraw/zinc/25/49/36/435254936.db2.gz LVQQXZMKFCGXLB-MJGOQNOKSA-N 2 1 304.478 3.474 20 0 DGADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354634 435259739 /nfs/dbraw/zinc/25/97/39/435259739.db2.gz MVZMBQIPESOMFY-YZGWKJHDSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639354634 435259748 /nfs/dbraw/zinc/25/97/48/435259748.db2.gz MVZMBQIPESOMFY-YZGWKJHDSA-N 2 1 313.489 3.038 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCc3sccc3C2)cc1 ZINC000643057853 435264810 /nfs/dbraw/zinc/26/48/10/435264810.db2.gz MGQNZYCSKYUIAQ-MRXNPFEDSA-N 2 1 316.470 3.247 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](C[C@H](Cc2ccccc2)OC)CC1 ZINC000639378748 435273612 /nfs/dbraw/zinc/27/36/12/435273612.db2.gz RRZBXDUMKCDGDK-SFHVURJKSA-N 2 1 304.478 3.050 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000584131063 435276626 /nfs/dbraw/zinc/27/66/26/435276626.db2.gz CWCZPECZBWOLBP-QEOTZNIISA-N 2 1 306.400 3.425 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000584131062 435276783 /nfs/dbraw/zinc/27/67/83/435276783.db2.gz CWCZPECZBWOLBP-KSWRQPAISA-N 2 1 306.400 3.425 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000584176113 435282540 /nfs/dbraw/zinc/28/25/40/435282540.db2.gz WOUJJFBDHSPRHT-BHYGNILZSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000584176113 435282543 /nfs/dbraw/zinc/28/25/43/435282543.db2.gz WOUJJFBDHSPRHT-BHYGNILZSA-N 2 1 311.429 3.209 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCO1 ZINC000648435701 435299377 /nfs/dbraw/zinc/29/93/77/435299377.db2.gz LOYAQNCZJIWXLL-JKSUJKDBSA-N 2 1 317.408 3.367 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCCCC1 ZINC000534798379 435300114 /nfs/dbraw/zinc/30/01/14/435300114.db2.gz JLJXZHPADNVYTE-GVDBMIGSSA-N 2 1 306.494 3.188 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000567505221 435324744 /nfs/dbraw/zinc/32/47/44/435324744.db2.gz QZBGXPQJHFDFQZ-QGZVFWFLSA-N 2 1 313.445 3.043 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567523866 435326279 /nfs/dbraw/zinc/32/62/79/435326279.db2.gz SGMFLJIBCQJMQS-HSALFYBXSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567523866 435326282 /nfs/dbraw/zinc/32/62/82/435326282.db2.gz SGMFLJIBCQJMQS-HSALFYBXSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523866 435326285 /nfs/dbraw/zinc/32/62/85/435326285.db2.gz SGMFLJIBCQJMQS-HSALFYBXSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523866 435326288 /nfs/dbraw/zinc/32/62/88/435326288.db2.gz SGMFLJIBCQJMQS-HSALFYBXSA-N 2 1 316.489 3.018 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000643457513 435329705 /nfs/dbraw/zinc/32/97/05/435329705.db2.gz HKYXVCPMKUNVJP-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000643472524 435331626 /nfs/dbraw/zinc/33/16/26/435331626.db2.gz LZLYSQZGNAZCEY-KBAYOESNSA-N 2 1 317.477 3.107 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000479447560 435333475 /nfs/dbraw/zinc/33/34/75/435333475.db2.gz QECFMUJCMKLFKU-UYAOXDASSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512664882 435365002 /nfs/dbraw/zinc/36/50/02/435365002.db2.gz BWPWKNQPGFZTPN-MTQWCTHYSA-N 2 1 316.489 3.038 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000479544199 435337950 /nfs/dbraw/zinc/33/79/50/435337950.db2.gz MNLRNMMNRAEEDA-HOTGVXAUSA-N 2 1 310.526 3.395 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2C(C)(C)C2(C)C)[C@H](C)C1 ZINC000479544201 435339134 /nfs/dbraw/zinc/33/91/34/435339134.db2.gz MNLRNMMNRAEEDA-HZPDHXFCSA-N 2 1 310.526 3.395 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000567703122 435344592 /nfs/dbraw/zinc/34/45/92/435344592.db2.gz BLDLLEQWMXMCFF-MRXNPFEDSA-N 2 1 301.478 3.315 20 0 DGADMP COc1ccc2c(c1)CCC[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000535765684 435347556 /nfs/dbraw/zinc/34/75/56/435347556.db2.gz NZIOAVFBDORQRD-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP COc1ccc2c(c1)CCC[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000535765684 435347559 /nfs/dbraw/zinc/34/75/59/435347559.db2.gz NZIOAVFBDORQRD-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000639471978 435311489 /nfs/dbraw/zinc/31/14/89/435311489.db2.gz IPWISHIPPFVFHD-YLJYHZDGSA-N 2 1 316.489 3.255 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000567385725 435312896 /nfs/dbraw/zinc/31/28/96/435312896.db2.gz NSJJRQJJZVWSJE-UHFFFAOYSA-N 2 1 319.836 3.095 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000567385725 435312900 /nfs/dbraw/zinc/31/29/00/435312900.db2.gz NSJJRQJJZVWSJE-UHFFFAOYSA-N 2 1 319.836 3.095 20 0 DGADMP CO[C@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639756434 435409771 /nfs/dbraw/zinc/40/97/71/435409771.db2.gz VEUNAPXSLXMPGF-QGZVFWFLSA-N 2 1 322.880 3.445 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccs2)[C@H](C)C1 ZINC000536854716 435416188 /nfs/dbraw/zinc/41/61/88/435416188.db2.gz WAHGCQTUVIMKSV-SJLPKXTDSA-N 2 1 324.534 3.407 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccs2)[C@@H](C)C1 ZINC000536854714 435416567 /nfs/dbraw/zinc/41/65/67/435416567.db2.gz WAHGCQTUVIMKSV-FUHWJXTLSA-N 2 1 324.534 3.407 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000644166684 435421763 /nfs/dbraw/zinc/42/17/63/435421763.db2.gz WYTVHPVSZARWNJ-VHDGCEQUSA-N 2 1 313.367 3.337 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536069247 435370280 /nfs/dbraw/zinc/37/02/80/435370280.db2.gz XRRWEJLPLFSKSJ-GFCCVEGCSA-N 2 1 305.809 3.072 20 0 DGADMP CCCC[C@H](COC)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480241642 435371916 /nfs/dbraw/zinc/37/19/16/435371916.db2.gz POHHZJSJLOWUIX-LJQANCHMSA-N 2 1 304.478 3.230 20 0 DGADMP CCCC[C@H](COC)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480241642 435371922 /nfs/dbraw/zinc/37/19/22/435371922.db2.gz POHHZJSJLOWUIX-LJQANCHMSA-N 2 1 304.478 3.230 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000513510895 435392444 /nfs/dbraw/zinc/39/24/44/435392444.db2.gz GIFGPSMGTBCCDQ-PKOBYXMFSA-N 2 1 314.473 3.223 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000513654946 435397322 /nfs/dbraw/zinc/39/73/22/435397322.db2.gz YJSCXXKCXWFTNB-UONOGXRCSA-N 2 1 301.821 3.349 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000513654946 435397326 /nfs/dbraw/zinc/39/73/26/435397326.db2.gz YJSCXXKCXWFTNB-UONOGXRCSA-N 2 1 301.821 3.349 20 0 DGADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000536653020 435399589 /nfs/dbraw/zinc/39/95/89/435399589.db2.gz UMAPCETZSJRMSU-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000482125175 435454778 /nfs/dbraw/zinc/45/47/78/435454778.db2.gz JOBSYYIJISPJLV-NUJGCVRESA-N 2 1 322.518 3.365 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000482125175 435454788 /nfs/dbraw/zinc/45/47/88/435454788.db2.gz JOBSYYIJISPJLV-NUJGCVRESA-N 2 1 322.518 3.365 20 0 DGADMP C[NH+](C)C1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCCC1 ZINC000482167092 435457396 /nfs/dbraw/zinc/45/73/96/435457396.db2.gz WGFKSRSLGCVQTC-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482457891 435468625 /nfs/dbraw/zinc/46/86/25/435468625.db2.gz KRMPMOPOMQUPLM-UXHICEINSA-N 2 1 318.505 3.202 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000537848791 435469608 /nfs/dbraw/zinc/46/96/08/435469608.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+](CCC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1)CC1CC1 ZINC000537848791 435469614 /nfs/dbraw/zinc/46/96/14/435469614.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+](CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1)CC1CC1 ZINC000537848791 435469617 /nfs/dbraw/zinc/46/96/17/435469617.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 3 1 321.553 3.305 20 0 DGADMP CC[N@H+](CCC1CC[NH+](CC[C@H]2CCCN2C)CC1)CC1CC1 ZINC000537848791 435469622 /nfs/dbraw/zinc/46/96/22/435469622.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 2 1 321.553 3.305 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCCN2C)CC1)CC1CC1 ZINC000537848791 435469624 /nfs/dbraw/zinc/46/96/24/435469624.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 2 1 321.553 3.305 20 0 DGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482566333 435473379 /nfs/dbraw/zinc/47/33/79/435473379.db2.gz MMRBBBWRWWCGGL-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000644638177 435473847 /nfs/dbraw/zinc/47/38/47/435473847.db2.gz ZZEQSZQLIJRZMY-NJDAHSKKSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000644638177 435473852 /nfs/dbraw/zinc/47/38/52/435473852.db2.gz ZZEQSZQLIJRZMY-NJDAHSKKSA-N 2 1 324.468 3.015 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000537939950 435475818 /nfs/dbraw/zinc/47/58/18/435475818.db2.gz MJRFVFMTVBLBKS-JENIJYKNSA-N 2 1 324.472 3.428 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639980370 435480004 /nfs/dbraw/zinc/48/00/04/435480004.db2.gz NZIOMQNYNCKUTH-HNNXBMFYSA-N 2 1 306.425 3.153 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639980370 435480009 /nfs/dbraw/zinc/48/00/09/435480009.db2.gz NZIOMQNYNCKUTH-HNNXBMFYSA-N 2 1 306.425 3.153 20 0 DGADMP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000639984413 435480279 /nfs/dbraw/zinc/48/02/79/435480279.db2.gz UXEQTPJUYNVLEZ-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000516048950 435512281 /nfs/dbraw/zinc/51/22/81/435512281.db2.gz SHWGAPHMGGCISI-NSHGMRRFSA-N 2 1 318.505 3.395 20 0 DGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000569213966 435513334 /nfs/dbraw/zinc/51/33/34/435513334.db2.gz JKRWHDLBMGEUKA-NFBUACBFSA-N 2 1 316.489 3.004 20 0 DGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000569213966 435513339 /nfs/dbraw/zinc/51/33/39/435513339.db2.gz JKRWHDLBMGEUKA-NFBUACBFSA-N 2 1 316.489 3.004 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000538760290 435521493 /nfs/dbraw/zinc/52/14/93/435521493.db2.gz CISRUJAKHQXKEP-BHIYHBOVSA-N 2 1 309.542 3.064 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483477721 435523039 /nfs/dbraw/zinc/52/30/39/435523039.db2.gz KAMJJRWDEWAVII-OALUTQOASA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483477721 435523043 /nfs/dbraw/zinc/52/30/43/435523043.db2.gz KAMJJRWDEWAVII-OALUTQOASA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483477721 435523045 /nfs/dbraw/zinc/52/30/45/435523045.db2.gz KAMJJRWDEWAVII-OALUTQOASA-N 2 1 316.489 3.488 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2scnc2C)CC1 ZINC000639985561 435482839 /nfs/dbraw/zinc/48/28/39/435482839.db2.gz ACMWSGQELHEKPN-UHFFFAOYSA-N 2 1 307.507 3.334 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000482948513 435488709 /nfs/dbraw/zinc/48/87/09/435488709.db2.gz PKMQKLOPNZQMCQ-XYJFISCASA-N 2 1 303.494 3.046 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538306209 435493469 /nfs/dbraw/zinc/49/34/69/435493469.db2.gz YVTKZHZOLCDVSR-FUHWJXTLSA-N 2 1 316.489 3.462 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C23CCCCC3)C1 ZINC000538396814 435497413 /nfs/dbraw/zinc/49/74/13/435497413.db2.gz CQWBUJXXWXRJCO-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000516782264 435551687 /nfs/dbraw/zinc/55/16/87/435551687.db2.gz MBDLDPIVQRSVTP-INIZCTEOSA-N 2 1 316.489 3.061 20 0 DGADMP Cc1cccn2c(CN3CC[N@H+](C)CC34CCCCC4)cnc12 ZINC000539827207 435574347 /nfs/dbraw/zinc/57/43/47/435574347.db2.gz IDLUQAFABCXYLI-UHFFFAOYSA-N 2 1 312.461 3.093 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411048 435580842 /nfs/dbraw/zinc/58/08/42/435580842.db2.gz JKWNSQWFEFNGBM-KBPBESRZSA-N 2 1 301.459 3.085 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649411866 435580859 /nfs/dbraw/zinc/58/08/59/435580859.db2.gz KSFVPKOOQWHINF-UYAOXDASSA-N 3 1 321.553 3.353 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411866 435580862 /nfs/dbraw/zinc/58/08/62/435580862.db2.gz KSFVPKOOQWHINF-UYAOXDASSA-N 3 1 321.553 3.353 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411866 435580867 /nfs/dbraw/zinc/58/08/67/435580867.db2.gz KSFVPKOOQWHINF-UYAOXDASSA-N 3 1 321.553 3.353 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(F)c1 ZINC000517241219 435584506 /nfs/dbraw/zinc/58/45/06/435584506.db2.gz QYLGDIGSIXJJKB-CXAGYDPISA-N 2 1 303.381 3.114 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539077770 435538707 /nfs/dbraw/zinc/53/87/07/435538707.db2.gz AVMIIYPVVWGBDS-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000517970361 435621734 /nfs/dbraw/zinc/62/17/34/435621734.db2.gz XUZUXANAZMDWBU-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000517970361 435621739 /nfs/dbraw/zinc/62/17/39/435621739.db2.gz XUZUXANAZMDWBU-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000517970361 435621743 /nfs/dbraw/zinc/62/17/43/435621743.db2.gz XUZUXANAZMDWBU-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000517970361 435621748 /nfs/dbraw/zinc/62/17/48/435621748.db2.gz XUZUXANAZMDWBU-IBGZPJMESA-N 2 1 302.462 3.393 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727170 435644664 /nfs/dbraw/zinc/64/46/64/435644664.db2.gz MGJFVKKAVCLQBN-NJAFHUGGSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727170 435644670 /nfs/dbraw/zinc/64/46/70/435644670.db2.gz MGJFVKKAVCLQBN-NJAFHUGGSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727170 435644675 /nfs/dbraw/zinc/64/46/75/435644675.db2.gz MGJFVKKAVCLQBN-NJAFHUGGSA-N 2 1 322.518 3.114 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000570727170 435644681 /nfs/dbraw/zinc/64/46/81/435644681.db2.gz MGJFVKKAVCLQBN-NJAFHUGGSA-N 2 1 322.518 3.114 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000570800876 435652203 /nfs/dbraw/zinc/65/22/03/435652203.db2.gz AMYRJBXKNCKEBL-CALCHBBNSA-N 2 1 324.472 3.244 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000570800876 435652205 /nfs/dbraw/zinc/65/22/05/435652205.db2.gz AMYRJBXKNCKEBL-CALCHBBNSA-N 2 1 324.472 3.244 20 0 DGADMP Cc1occc1C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000490424912 435656234 /nfs/dbraw/zinc/65/62/34/435656234.db2.gz WMHHLRIXLGTUGX-UHFFFAOYSA-N 2 1 304.356 3.437 20 0 DGADMP Cc1cnc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000645808606 435694835 /nfs/dbraw/zinc/69/48/35/435694835.db2.gz ZUDVVRWBJIOMBS-SFHVURJKSA-N 2 1 301.478 3.049 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000571368134 435701288 /nfs/dbraw/zinc/70/12/88/435701288.db2.gz QDMDSFBKCZKMJE-BRWVUGGUSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000571368134 435701293 /nfs/dbraw/zinc/70/12/93/435701293.db2.gz QDMDSFBKCZKMJE-BRWVUGGUSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000571368140 435700450 /nfs/dbraw/zinc/70/04/50/435700450.db2.gz QDMDSFBKCZKMJE-ZACQAIPSSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000571368140 435700457 /nfs/dbraw/zinc/70/04/57/435700457.db2.gz QDMDSFBKCZKMJE-ZACQAIPSSA-N 2 1 306.498 3.156 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655699546 435733061 /nfs/dbraw/zinc/73/30/61/435733061.db2.gz CJIXKAQPYXHURH-FQEVSTJZSA-N 2 1 316.489 3.079 20 0 DGADMP c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000655698905 435733145 /nfs/dbraw/zinc/73/31/45/435733145.db2.gz YPJXOEUTXAIFRM-IBGZPJMESA-N 2 1 324.472 3.494 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000655704250 435735944 /nfs/dbraw/zinc/73/59/44/435735944.db2.gz UVYPJGUAOSENJW-UHFFFAOYSA-N 2 1 314.477 3.167 20 0 DGADMP CO[C@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C1CCCC1 ZINC000660431598 435741103 /nfs/dbraw/zinc/74/11/03/435741103.db2.gz SCVBABHGAOPCSG-LJQANCHMSA-N 2 1 318.461 3.438 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000646010867 435742293 /nfs/dbraw/zinc/74/22/93/435742293.db2.gz VUWUBUJVKGPXSD-GOSISDBHSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000646010867 435742297 /nfs/dbraw/zinc/74/22/97/435742297.db2.gz VUWUBUJVKGPXSD-GOSISDBHSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000655712099 435743084 /nfs/dbraw/zinc/74/30/84/435743084.db2.gz POGOOZODFRLVIH-MOPGFXCFSA-N 2 1 316.489 3.117 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000651489773 435745845 /nfs/dbraw/zinc/74/58/45/435745845.db2.gz JVLLLPZKTDRLHC-UHOSZYNNSA-N 2 1 316.489 3.480 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000655730267 435753311 /nfs/dbraw/zinc/75/33/11/435753311.db2.gz QWWFJOXHIWSQOJ-FHWLQOOXSA-N 2 1 306.494 3.188 20 0 DGADMP COc1ccc2c(c1)CCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000548732331 435712598 /nfs/dbraw/zinc/71/25/98/435712598.db2.gz CEGLARGNEKUZSB-UHFFFAOYSA-N 2 1 302.462 3.319 20 0 DGADMP COc1ccc2c(c1)CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000548732331 435712604 /nfs/dbraw/zinc/71/26/04/435712604.db2.gz CEGLARGNEKUZSB-UHFFFAOYSA-N 2 1 302.462 3.319 20 0 DGADMP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000548859573 435722594 /nfs/dbraw/zinc/72/25/94/435722594.db2.gz ZSNZVMSTWWQPAY-MSOLQXFVSA-N 2 1 306.494 3.332 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655775745 435790002 /nfs/dbraw/zinc/79/00/02/435790002.db2.gz CSORFKPXJPVIBI-RCCFBDPRSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc12 ZINC000655775543 435790584 /nfs/dbraw/zinc/79/05/84/435790584.db2.gz AEMSPSZOENYKFB-IBGZPJMESA-N 2 1 324.468 3.491 20 0 DGADMP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655774019 435791283 /nfs/dbraw/zinc/79/12/83/435791283.db2.gz NXYBMTZYENPABJ-AEFFLSMTSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1N ZINC000641708440 435791535 /nfs/dbraw/zinc/79/15/35/435791535.db2.gz ZTYMEEPJXIOLBZ-INIZCTEOSA-N 2 1 324.472 3.328 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641706860 435792208 /nfs/dbraw/zinc/79/22/08/435792208.db2.gz GBLCDHACOWVHDJ-AWEZNQCLSA-N 2 1 316.449 3.013 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000572239240 435797513 /nfs/dbraw/zinc/79/75/13/435797513.db2.gz PWMXIIBMWZZDMK-MJGOQNOKSA-N 2 1 312.461 3.293 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000550622065 435806487 /nfs/dbraw/zinc/80/64/87/435806487.db2.gz RXTTZNMVCGPKTA-LJQANCHMSA-N 2 1 321.553 3.497 20 0 DGADMP COc1cc(OC)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000651749622 435814983 /nfs/dbraw/zinc/81/49/83/435814983.db2.gz CVTPQBBOECAMCW-UHFFFAOYSA-N 2 1 324.440 3.242 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000551083294 435819890 /nfs/dbraw/zinc/81/98/90/435819890.db2.gz APSQPQUJSTYZER-UFYCRDLUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000551083294 435819895 /nfs/dbraw/zinc/81/98/95/435819895.db2.gz APSQPQUJSTYZER-UFYCRDLUSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081509 435771353 /nfs/dbraw/zinc/77/13/53/435771353.db2.gz GYLBTHSQKKKBEW-RBUKOAKNSA-N 2 1 314.473 3.130 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497927 435777736 /nfs/dbraw/zinc/77/77/36/435777736.db2.gz UBNODKLSGDWIRC-JKSUJKDBSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497927 435777745 /nfs/dbraw/zinc/77/77/45/435777745.db2.gz UBNODKLSGDWIRC-JKSUJKDBSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497927 435777752 /nfs/dbraw/zinc/77/77/52/435777752.db2.gz UBNODKLSGDWIRC-JKSUJKDBSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3COC(C)(C)C3)C2)s1 ZINC000660497927 435777762 /nfs/dbraw/zinc/77/77/62/435777762.db2.gz UBNODKLSGDWIRC-JKSUJKDBSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104872 435781832 /nfs/dbraw/zinc/78/18/32/435781832.db2.gz RMZWYXOTTQIRBO-UHFFFAOYSA-N 2 1 324.468 3.445 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000655764835 435782492 /nfs/dbraw/zinc/78/24/92/435782492.db2.gz SOFWPQMOOJZWIY-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP FC1(F)CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655763854 435782961 /nfs/dbraw/zinc/78/29/61/435782961.db2.gz SSAYNHUIZBSFFC-MRXNPFEDSA-N 2 1 316.436 3.045 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000572129712 435785478 /nfs/dbraw/zinc/78/54/78/435785478.db2.gz CLAIMLDVUIHTIF-INIZCTEOSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000572129712 435785483 /nfs/dbraw/zinc/78/54/83/435785483.db2.gz CLAIMLDVUIHTIF-INIZCTEOSA-N 2 1 320.820 3.150 20 0 DGADMP C[C@@]1(CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000572123912 435786501 /nfs/dbraw/zinc/78/65/01/435786501.db2.gz ZLZCSKOSHXQXBO-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000641799505 435828471 /nfs/dbraw/zinc/82/84/71/435828471.db2.gz QGXITOBJGXVZRQ-FGTMMUONSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000641808714 435828861 /nfs/dbraw/zinc/82/88/61/435828861.db2.gz ZZEBYNGSYUUYJI-VBNZEHGJSA-N 2 1 317.477 3.027 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000641800827 435829194 /nfs/dbraw/zinc/82/91/94/435829194.db2.gz GPKXTCQIYMRNCH-DLBZAZTESA-N 2 1 311.429 3.224 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000641800827 435829201 /nfs/dbraw/zinc/82/92/01/435829201.db2.gz GPKXTCQIYMRNCH-DLBZAZTESA-N 2 1 311.429 3.224 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1[NH3+] ZINC000641809931 435831649 /nfs/dbraw/zinc/83/16/49/435831649.db2.gz ZCBBILNMBUZONJ-ZWKOTPCHSA-N 2 1 323.440 3.154 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000641823147 435833562 /nfs/dbraw/zinc/83/35/62/435833562.db2.gz REPCQURZNXDDAC-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCSc1ccccc1F)C2 ZINC000660654236 435844059 /nfs/dbraw/zinc/84/40/59/435844059.db2.gz GBCQHRPUDVXZPN-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660652788 435844242 /nfs/dbraw/zinc/84/42/42/435844242.db2.gz MCEXNTRTNDQTPN-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660652788 435844248 /nfs/dbraw/zinc/84/42/48/435844248.db2.gz MCEXNTRTNDQTPN-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660652788 435844254 /nfs/dbraw/zinc/84/42/54/435844254.db2.gz MCEXNTRTNDQTPN-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660652788 435844259 /nfs/dbraw/zinc/84/42/59/435844259.db2.gz MCEXNTRTNDQTPN-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000651864798 435846570 /nfs/dbraw/zinc/84/65/70/435846570.db2.gz FCOYUGPXXYXIFX-UHFFFAOYSA-N 2 1 318.440 3.079 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000651864798 435846578 /nfs/dbraw/zinc/84/65/78/435846578.db2.gz FCOYUGPXXYXIFX-UHFFFAOYSA-N 2 1 318.440 3.079 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000651865642 435847613 /nfs/dbraw/zinc/84/76/13/435847613.db2.gz BNZCGQASAMAZRP-UHFFFAOYSA-N 2 1 300.450 3.144 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000651865642 435847618 /nfs/dbraw/zinc/84/76/18/435847618.db2.gz BNZCGQASAMAZRP-UHFFFAOYSA-N 2 1 300.450 3.144 20 0 DGADMP Fc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000651864046 435847776 /nfs/dbraw/zinc/84/77/76/435847776.db2.gz GJXSHBRICFNDLU-CVEARBPZSA-N 2 1 302.437 3.464 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000660660607 435848597 /nfs/dbraw/zinc/84/85/97/435848597.db2.gz XHCRRXYVSOFCQF-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000660660607 435848600 /nfs/dbraw/zinc/84/86/00/435848600.db2.gz XHCRRXYVSOFCQF-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000660660607 435848606 /nfs/dbraw/zinc/84/86/06/435848606.db2.gz XHCRRXYVSOFCQF-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000651865673 435849518 /nfs/dbraw/zinc/84/95/18/435849518.db2.gz DBCWOSALOYXGBF-UHFFFAOYSA-N 2 1 303.425 3.441 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000651865673 435849525 /nfs/dbraw/zinc/84/95/25/435849525.db2.gz DBCWOSALOYXGBF-UHFFFAOYSA-N 2 1 303.425 3.441 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000651866200 435849771 /nfs/dbraw/zinc/84/97/71/435849771.db2.gz YMTZWNPIKQSSPC-UHFFFAOYSA-N 2 1 306.479 3.001 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000651866055 435850208 /nfs/dbraw/zinc/85/02/08/435850208.db2.gz RZJNIPDWOOOVBK-OAHLLOKOSA-N 2 1 323.456 3.110 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccccn3)C2)s1 ZINC000572682555 435854600 /nfs/dbraw/zinc/85/46/00/435854600.db2.gz KTSZZVHBZRKELF-MRXNPFEDSA-N 2 1 315.486 3.405 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1cnc2ccccn12)C1CCCCC1 ZINC000651909664 435860711 /nfs/dbraw/zinc/86/07/11/435860711.db2.gz SEDVTKLYRTWUEX-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1cnc2ccccn12)C1CCCCC1 ZINC000651909664 435860716 /nfs/dbraw/zinc/86/07/16/435860716.db2.gz SEDVTKLYRTWUEX-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP CC[C@H](OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000651908465 435862214 /nfs/dbraw/zinc/86/22/14/435862214.db2.gz FJZULDUKRIWOGA-FHWLQOOXSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1cccc(CCC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660694788 435862557 /nfs/dbraw/zinc/86/25/57/435862557.db2.gz HQIZDFSLUNLXPM-UHFFFAOYSA-N 2 1 318.505 3.000 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000655940300 435864405 /nfs/dbraw/zinc/86/44/05/435864405.db2.gz QNMQZRVPBWPTOY-XYJFISCASA-N 2 1 322.880 3.367 20 0 DGADMP [NH3+]CCC[N@@H+](CCc1noc2ccccc21)CC1CCCC1 ZINC000655938839 435864508 /nfs/dbraw/zinc/86/45/08/435864508.db2.gz FLSHHBJTCKYRRX-UHFFFAOYSA-N 2 1 301.434 3.211 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000655941697 435865794 /nfs/dbraw/zinc/86/57/94/435865794.db2.gz ZOOWIXBYDMSEEA-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000655941697 435865800 /nfs/dbraw/zinc/86/58/00/435865800.db2.gz ZOOWIXBYDMSEEA-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552055032 435877056 /nfs/dbraw/zinc/87/70/56/435877056.db2.gz YHGUIJRCNPQJIF-FSGKZVOOSA-N 2 1 314.473 3.227 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000641791942 435823651 /nfs/dbraw/zinc/82/36/51/435823651.db2.gz LSTKPQMRRJVXNA-INWMFGNUSA-N 2 1 301.459 3.259 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000641791942 435823655 /nfs/dbraw/zinc/82/36/55/435823655.db2.gz LSTKPQMRRJVXNA-INWMFGNUSA-N 2 1 301.459 3.259 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000641791941 435824151 /nfs/dbraw/zinc/82/41/51/435824151.db2.gz LSTKPQMRRJVXNA-DUVNUKRYSA-N 2 1 301.459 3.259 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000641791941 435824157 /nfs/dbraw/zinc/82/41/57/435824157.db2.gz LSTKPQMRRJVXNA-DUVNUKRYSA-N 2 1 301.459 3.259 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000641797547 435824670 /nfs/dbraw/zinc/82/46/70/435824670.db2.gz FHSLKBWZORMJQO-ULQDDVLXSA-N 2 1 311.429 3.209 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000552099018 435882249 /nfs/dbraw/zinc/88/22/49/435882249.db2.gz WFSIOGOKNZZNSR-IBGZPJMESA-N 2 1 301.478 3.119 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000552099018 435882254 /nfs/dbraw/zinc/88/22/54/435882254.db2.gz WFSIOGOKNZZNSR-IBGZPJMESA-N 2 1 301.478 3.119 20 0 DGADMP Cc1nc(C)c(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)o1 ZINC000650349761 435897778 /nfs/dbraw/zinc/89/77/78/435897778.db2.gz HIOBZOZESKCYRF-UHFFFAOYSA-N 2 1 319.371 3.140 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC000660833104 435904895 /nfs/dbraw/zinc/90/48/95/435904895.db2.gz DHJZHJVQAPCMOW-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP F[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000652078222 435905586 /nfs/dbraw/zinc/90/55/86/435905586.db2.gz CKQGDMCDYRPZFW-KRWDZBQOSA-N 2 1 306.425 3.095 20 0 DGADMP F[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000652078222 435905591 /nfs/dbraw/zinc/90/55/91/435905591.db2.gz CKQGDMCDYRPZFW-KRWDZBQOSA-N 2 1 306.425 3.095 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1N1CCCC1 ZINC000665236075 435925463 /nfs/dbraw/zinc/92/54/63/435925463.db2.gz GWKPVCZKLQODGI-AEFFLSMTSA-N 2 1 316.493 3.082 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CCCC1 ZINC000665249732 435928066 /nfs/dbraw/zinc/92/80/66/435928066.db2.gz XZCIMVQYTBKSEK-AWEZNQCLSA-N 2 1 314.351 3.434 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1OCC ZINC000665249556 435928791 /nfs/dbraw/zinc/92/87/91/435928791.db2.gz SOXNTZZAONNMHI-CQSZACIVSA-N 2 1 306.450 3.406 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000665255263 435930402 /nfs/dbraw/zinc/93/04/02/435930402.db2.gz NARJZRXLKFHVHQ-ITOHMHRPSA-N 2 1 302.462 3.165 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363096 435958400 /nfs/dbraw/zinc/95/84/00/435958400.db2.gz XPQDHRKUGSJSGM-XUVXKRRUSA-N 2 1 316.489 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CO1 ZINC000647171496 435959259 /nfs/dbraw/zinc/95/92/59/435959259.db2.gz LWKFKZVFNJTORQ-MDZRGWNJSA-N 2 1 302.462 3.186 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCCC(F)(F)F)C1 ZINC000652363727 435959413 /nfs/dbraw/zinc/95/94/13/435959413.db2.gz MFHZJDQPBCKHLX-MGPQQGTHSA-N 2 1 308.388 3.080 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656493782 435959305 /nfs/dbraw/zinc/95/93/05/435959305.db2.gz SOEBJPXJPVUNFW-UHFFFAOYSA-N 2 1 302.462 3.189 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCc2ccsc2)C1 ZINC000652363337 435959611 /nfs/dbraw/zinc/95/96/11/435959611.db2.gz BKLDZIZJFDFMAW-IXDOHACOSA-N 2 1 308.491 3.042 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCCC(F)(F)F)C1 ZINC000652363725 435959634 /nfs/dbraw/zinc/95/96/34/435959634.db2.gz MFHZJDQPBCKHLX-HZSPNIEDSA-N 2 1 308.388 3.080 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CO1 ZINC000647171876 435960034 /nfs/dbraw/zinc/96/00/34/435960034.db2.gz ZNZPEFDVYVGUGC-MDZRGWNJSA-N 2 1 302.462 3.328 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCc2cccc(F)c2)C1 ZINC000652363440 435960106 /nfs/dbraw/zinc/96/01/06/435960106.db2.gz DTBTTZYSLSKYCA-QRVBRYPASA-N 2 1 320.452 3.119 20 0 DGADMP CC(C)Cn1nccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000647171442 435961075 /nfs/dbraw/zinc/96/10/75/435961075.db2.gz KLIVAVCMZFTAEE-HDICACEKSA-N 2 1 320.525 3.387 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000647186422 435966251 /nfs/dbraw/zinc/96/62/51/435966251.db2.gz MBEHJLPFSIJLHQ-MAUKXSAKSA-N 2 1 314.429 3.179 20 0 DGADMP c1ccc2c(c1)O[C@H](CC[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CS2 ZINC000647228031 435981471 /nfs/dbraw/zinc/98/14/71/435981471.db2.gz DOYUEACSGQQECY-HRCADAONSA-N 2 1 318.486 3.146 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000650707604 435995079 /nfs/dbraw/zinc/99/50/79/435995079.db2.gz JEMWAHYWTARXFX-SPOLIRPYSA-N 2 1 308.510 3.421 20 0 DGADMP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647258654 435995153 /nfs/dbraw/zinc/99/51/53/435995153.db2.gz MNTNGNUQMDSSKO-KDOFPFPSSA-N 2 1 322.493 3.316 20 0 DGADMP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248869 435990199 /nfs/dbraw/zinc/99/01/99/435990199.db2.gz LMRNELGXBNABTB-UXHICEINSA-N 2 1 323.484 3.188 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665282473 435937640 /nfs/dbraw/zinc/93/76/40/435937640.db2.gz ZABIVVWMOWPFLV-YSTOQKLRSA-N 3 1 315.505 3.145 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000665282473 435937643 /nfs/dbraw/zinc/93/76/43/435937643.db2.gz ZABIVVWMOWPFLV-YSTOQKLRSA-N 3 1 315.505 3.145 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665282473 435937648 /nfs/dbraw/zinc/93/76/48/435937648.db2.gz ZABIVVWMOWPFLV-YSTOQKLRSA-N 3 1 315.505 3.145 20 0 DGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706320 435994294 /nfs/dbraw/zinc/99/42/94/435994294.db2.gz ISHQYNTXXFDMSM-JJRVBVJISA-N 2 1 308.491 3.029 20 0 DGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000650710303 435998011 /nfs/dbraw/zinc/99/80/11/435998011.db2.gz LQJXNKRDESKRAL-WBVHZDCISA-N 2 1 311.429 3.494 20 0 DGADMP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711173 435999282 /nfs/dbraw/zinc/99/92/82/435999282.db2.gz KRAOZWBALOFXMY-ZBFHGGJFSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711173 435999287 /nfs/dbraw/zinc/99/92/87/435999287.db2.gz KRAOZWBALOFXMY-ZBFHGGJFSA-N 2 1 300.450 3.006 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000650708698 435999439 /nfs/dbraw/zinc/99/94/39/435999439.db2.gz JFMBBLGUXJQPJY-AQNXPRMDSA-N 2 1 314.473 3.282 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710211 435999746 /nfs/dbraw/zinc/99/97/46/435999746.db2.gz HWSRAQNJBUMAND-KZNAEPCWSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)[C@@H]1CC[NH3+] ZINC000650712031 436000200 /nfs/dbraw/zinc/00/02/00/436000200.db2.gz NMCOCUVKSXTLJO-XJKSGUPXSA-N 2 1 318.490 3.098 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CNc4ccccc4C3)CC[NH2+]2)cc1 ZINC000650715178 436000597 /nfs/dbraw/zinc/00/05/97/436000597.db2.gz SMZHCKRXAHPMQY-GGPKGHCWSA-N 2 1 307.441 3.106 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)s1 ZINC000650722909 436005091 /nfs/dbraw/zinc/00/50/91/436005091.db2.gz DKIKODSSSWNSEC-ZACQAIPSSA-N 2 1 308.491 3.226 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000650722510 436006256 /nfs/dbraw/zinc/00/62/56/436006256.db2.gz VVTMELPZZGVCSD-IXDOHACOSA-N 2 1 308.853 3.201 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000650722677 436006651 /nfs/dbraw/zinc/00/66/51/436006651.db2.gz ZDLCVRPWTHPYJL-MRVWCRGKSA-N 2 1 314.882 3.262 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721761 436007073 /nfs/dbraw/zinc/00/70/73/436007073.db2.gz AKKQRXOESIFYKM-QRVBRYPASA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000650724371 436007680 /nfs/dbraw/zinc/00/76/80/436007680.db2.gz DMMJYQARNZIUIE-AABGKKOBSA-N 2 1 314.473 3.425 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)CC[N@H+]1C ZINC000647320807 436013508 /nfs/dbraw/zinc/01/35/08/436013508.db2.gz FFSYEJYTOWICEG-QLFBSQMISA-N 2 1 306.475 3.002 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H](C)C1 ZINC000647318325 436013660 /nfs/dbraw/zinc/01/36/60/436013660.db2.gz LZDYPSBUJDJMRO-KKUMJFAQSA-N 2 1 306.441 3.004 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752194 436019605 /nfs/dbraw/zinc/01/96/05/436019605.db2.gz LQTXISPVNKYQMI-CYBMUJFWSA-N 2 1 302.393 3.452 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000647344651 436024935 /nfs/dbraw/zinc/02/49/35/436024935.db2.gz WEDIGCAXURJHDX-HSALFYBXSA-N 2 1 316.489 3.127 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783850 436042026 /nfs/dbraw/zinc/04/20/26/436042026.db2.gz AVXZNTBOZGRJGZ-GOSISDBHSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783850 436042032 /nfs/dbraw/zinc/04/20/32/436042032.db2.gz AVXZNTBOZGRJGZ-GOSISDBHSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783850 436042039 /nfs/dbraw/zinc/04/20/39/436042039.db2.gz AVXZNTBOZGRJGZ-GOSISDBHSA-N 2 1 324.472 3.288 20 0 DGADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783273 436042375 /nfs/dbraw/zinc/04/23/75/436042375.db2.gz OLGFUIJXEFVVNL-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)cn1 ZINC000656784353 436043297 /nfs/dbraw/zinc/04/32/97/436043297.db2.gz CPQKMGSMBLZNCG-LJQANCHMSA-N 2 1 324.472 3.084 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656785533 436044562 /nfs/dbraw/zinc/04/45/62/436044562.db2.gz LMMAGZRPPWNCEQ-MRXNPFEDSA-N 2 1 324.415 3.500 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000656786070 436045279 /nfs/dbraw/zinc/04/52/79/436045279.db2.gz VAAJWDYSPPTWFS-OXQOHEQNSA-N 2 1 309.457 3.412 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000656786070 436045280 /nfs/dbraw/zinc/04/52/80/436045280.db2.gz VAAJWDYSPPTWFS-OXQOHEQNSA-N 2 1 309.457 3.412 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786285 436045785 /nfs/dbraw/zinc/04/57/85/436045785.db2.gz RSZJMGSTQFIAQQ-SFHVURJKSA-N 2 1 324.472 3.288 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480472 436059134 /nfs/dbraw/zinc/05/91/34/436059134.db2.gz OOJLKXOQLFEKSO-CVEARBPZSA-N 2 1 320.502 3.381 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480472 436059138 /nfs/dbraw/zinc/05/91/38/436059138.db2.gz OOJLKXOQLFEKSO-CVEARBPZSA-N 2 1 320.502 3.381 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480763 436060340 /nfs/dbraw/zinc/06/03/40/436060340.db2.gz ZIQMIANOLBTACK-GDBMZVCRSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480763 436060343 /nfs/dbraw/zinc/06/03/43/436060343.db2.gz ZIQMIANOLBTACK-GDBMZVCRSA-N 2 1 310.388 3.252 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498272 436066320 /nfs/dbraw/zinc/06/63/20/436066320.db2.gz DLFHSQDZHSERGY-RHSMWYFYSA-N 2 1 321.896 3.499 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498272 436066324 /nfs/dbraw/zinc/06/63/24/436066324.db2.gz DLFHSQDZHSERGY-RHSMWYFYSA-N 2 1 321.896 3.499 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647498422 436066619 /nfs/dbraw/zinc/06/66/19/436066619.db2.gz GWQZDHCDEZNVGQ-WBMJQRKESA-N 2 1 318.852 3.289 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498386 436066704 /nfs/dbraw/zinc/06/67/04/436066704.db2.gz GJYSXKCEPRHTTP-WBMJQRKESA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000647498386 436066708 /nfs/dbraw/zinc/06/67/08/436066708.db2.gz GJYSXKCEPRHTTP-WBMJQRKESA-N 2 1 303.837 3.447 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647499046 436068267 /nfs/dbraw/zinc/06/82/67/436068267.db2.gz XSTIVHCCPOYJSI-IRXDYDNUSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647499046 436068269 /nfs/dbraw/zinc/06/82/69/436068269.db2.gz XSTIVHCCPOYJSI-IRXDYDNUSA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000647509887 436068893 /nfs/dbraw/zinc/06/88/93/436068893.db2.gz OLFJHJKDRTZZOM-OFQRWUPVSA-N 2 1 306.450 3.042 20 0 DGADMP CC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000647531432 436074001 /nfs/dbraw/zinc/07/40/01/436074001.db2.gz WJSDSRASDNQQRJ-UHFFFAOYSA-N 2 1 304.825 3.043 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647543598 436077404 /nfs/dbraw/zinc/07/74/04/436077404.db2.gz PYLUNEVPOXTRGU-QZTJIDSGSA-N 2 1 302.462 3.215 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543011 436077431 /nfs/dbraw/zinc/07/74/31/436077431.db2.gz GLTKLKGXCBJKPU-HZPDHXFCSA-N 2 1 324.415 3.500 20 0 DGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543695 436077546 /nfs/dbraw/zinc/07/75/46/436077546.db2.gz RDUQHSGRABODNP-SJLPKXTDSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542694 436078613 /nfs/dbraw/zinc/07/86/13/436078613.db2.gz ABWJNLGLMLRSOC-FQMXMGHCSA-N 2 1 314.473 3.420 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC000647542910 436078641 /nfs/dbraw/zinc/07/86/41/436078641.db2.gz DQKYUMYTTXURFP-GJZGRUSLSA-N 2 1 306.425 3.046 20 0 DGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543487 436078837 /nfs/dbraw/zinc/07/88/37/436078837.db2.gz OHYUROQNEPOTJY-ROUUACIJSA-N 2 1 309.457 3.446 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC000647543973 436079433 /nfs/dbraw/zinc/07/94/33/436079433.db2.gz VCJCIFYIZUMHJS-MOPGFXCFSA-N 2 1 324.472 3.084 20 0 DGADMP Cc1c[nH]c(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000657309761 436127570 /nfs/dbraw/zinc/12/75/70/436127570.db2.gz GMTNZZDFMPZFBT-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000657309761 436127576 /nfs/dbraw/zinc/12/75/76/436127576.db2.gz GMTNZZDFMPZFBT-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000657309761 436127583 /nfs/dbraw/zinc/12/75/83/436127583.db2.gz GMTNZZDFMPZFBT-MRXNPFEDSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]c(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000657311535 436129039 /nfs/dbraw/zinc/12/90/39/436129039.db2.gz MYYCNXUZYBHVAW-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP COc1cc(C)c([C@@H](C)NCc2cnc3n2CCC3)cc1OC ZINC000657311160 436129948 /nfs/dbraw/zinc/12/99/48/436129948.db2.gz UZBXVDXDWGTDPW-CYBMUJFWSA-N 2 1 315.417 3.006 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000647840255 436132152 /nfs/dbraw/zinc/13/21/52/436132152.db2.gz XIOXCMMAULGFBT-STQMWFEESA-N 2 1 300.406 3.055 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647844368 436132749 /nfs/dbraw/zinc/13/27/49/436132749.db2.gz LKTXJXRDJCVQAU-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP CCC[N@H+]1CC[C@@H](CNCc2cccc(F)c2OC(F)F)C1 ZINC000657324516 436135804 /nfs/dbraw/zinc/13/58/04/436135804.db2.gz CFSLVXPACRIWFP-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657324516 436135811 /nfs/dbraw/zinc/13/58/11/436135811.db2.gz CFSLVXPACRIWFP-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657324516 436135816 /nfs/dbraw/zinc/13/58/16/436135816.db2.gz CFSLVXPACRIWFP-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP c1[nH+]c2n(c1CNc1ccc(CC[NH+]3CCCCC3)cc1)CCC2 ZINC000657323552 436138276 /nfs/dbraw/zinc/13/82/76/436138276.db2.gz HRXIVNRNTZBULJ-UHFFFAOYSA-N 2 1 324.472 3.470 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657334782 436142009 /nfs/dbraw/zinc/14/20/09/436142009.db2.gz HGUIWSVDIFKPNP-GBESFXJTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](c2ccsc2)O1 ZINC000647889979 436143142 /nfs/dbraw/zinc/14/31/42/436143142.db2.gz CFPXTFYVPBWNMZ-WMLDXEAASA-N 2 1 308.491 3.290 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647905568 436145784 /nfs/dbraw/zinc/14/57/84/436145784.db2.gz KMJMBOPQOFSUTA-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ncsc1-c1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000657338139 436146288 /nfs/dbraw/zinc/14/62/88/436146288.db2.gz RIBDCFJPIBNJFE-UHFFFAOYSA-N 2 1 312.442 3.413 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2ccc(F)cc2)cc1 ZINC000647800554 436122277 /nfs/dbraw/zinc/12/22/77/436122277.db2.gz FGPHOKHZQIHNGN-RBUKOAKNSA-N 2 1 314.404 3.374 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1c[nH+]ccc1N ZINC000647800418 436122325 /nfs/dbraw/zinc/12/23/25/436122325.db2.gz AXHHEXHPVZCZFH-QWHCGFSZSA-N 2 1 315.442 3.088 20 0 DGADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000651274765 436158451 /nfs/dbraw/zinc/15/84/51/436158451.db2.gz LJFOXYHTDKFBFO-QRVBRYPASA-N 2 1 316.489 3.038 20 0 DGADMP COc1cccc([C@]2(C)CC[N@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000661708140 436161344 /nfs/dbraw/zinc/16/13/44/436161344.db2.gz MEAJSWGKXGRLDH-LJQANCHMSA-N 2 1 313.445 3.025 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000661708140 436161351 /nfs/dbraw/zinc/16/13/51/436161351.db2.gz MEAJSWGKXGRLDH-LJQANCHMSA-N 2 1 313.445 3.025 20 0 DGADMP C[C@]12COC[C@H]1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000661706682 436161690 /nfs/dbraw/zinc/16/16/90/436161690.db2.gz HJTDRGVALGVPRZ-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977731 436166537 /nfs/dbraw/zinc/16/65/37/436166537.db2.gz GTIDYFCVGLFTAV-HUUCEWRRSA-N 2 1 305.466 3.184 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967433 436162966 /nfs/dbraw/zinc/16/29/66/436162966.db2.gz FSKPJTGKVQSJBO-SJORKVTESA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967433 436162971 /nfs/dbraw/zinc/16/29/71/436162971.db2.gz FSKPJTGKVQSJBO-SJORKVTESA-N 2 1 310.457 3.204 20 0 DGADMP Cc1ccc([C@H]2CCCCCN2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964359 436163081 /nfs/dbraw/zinc/16/30/81/436163081.db2.gz GBFJMMDONONNOA-DLBZAZTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964359 436163084 /nfs/dbraw/zinc/16/30/84/436163084.db2.gz GBFJMMDONONNOA-DLBZAZTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964359 436163089 /nfs/dbraw/zinc/16/30/89/436163089.db2.gz GBFJMMDONONNOA-DLBZAZTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964359 436163093 /nfs/dbraw/zinc/16/30/93/436163093.db2.gz GBFJMMDONONNOA-DLBZAZTESA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964359 436163098 /nfs/dbraw/zinc/16/30/98/436163098.db2.gz GBFJMMDONONNOA-DLBZAZTESA-N 2 1 308.466 3.206 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372584 436163659 /nfs/dbraw/zinc/16/36/59/436163659.db2.gz WSNHQANAFBSFAC-RTBURBONSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000657372584 436163663 /nfs/dbraw/zinc/16/36/63/436163663.db2.gz WSNHQANAFBSFAC-RTBURBONSA-N 2 1 304.478 3.038 20 0 DGADMP c1ccc(N[C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000647989123 436169492 /nfs/dbraw/zinc/16/94/92/436169492.db2.gz MYXDGDINNSVMKF-LJQANCHMSA-N 2 1 301.478 3.343 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CO1 ZINC000657388912 436172469 /nfs/dbraw/zinc/17/24/69/436172469.db2.gz QDWSDPMODIVOKV-XGXHKWSGSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CO1 ZINC000657388912 436172474 /nfs/dbraw/zinc/17/24/74/436172474.db2.gz QDWSDPMODIVOKV-XGXHKWSGSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657398298 436178604 /nfs/dbraw/zinc/17/86/04/436178604.db2.gz JNDQSYFKTKPRSE-KRFUXDQASA-N 2 1 316.489 3.300 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000653498377 436182178 /nfs/dbraw/zinc/18/21/78/436182178.db2.gz VSLUCGXYZSLHQL-UHFFFAOYSA-N 2 1 305.372 3.296 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000653498377 436182182 /nfs/dbraw/zinc/18/21/82/436182182.db2.gz VSLUCGXYZSLHQL-UHFFFAOYSA-N 2 1 305.372 3.296 20 0 DGADMP Cc1ncsc1-c1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000657423955 436192555 /nfs/dbraw/zinc/19/25/55/436192555.db2.gz PKSTWYUYHKBVCB-UHFFFAOYSA-N 2 1 301.459 3.304 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657430801 436198338 /nfs/dbraw/zinc/19/83/38/436198338.db2.gz RXWYEMAFINQSGZ-XGXHKWSGSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429563 436198524 /nfs/dbraw/zinc/19/85/24/436198524.db2.gz KBWVNRYACSLBCW-NVXWUHKLSA-N 2 1 316.493 3.036 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429563 436198528 /nfs/dbraw/zinc/19/85/28/436198528.db2.gz KBWVNRYACSLBCW-NVXWUHKLSA-N 2 1 316.493 3.036 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461024 436212862 /nfs/dbraw/zinc/21/28/62/436212862.db2.gz CWLRCBMZVZJMAN-IPMKNSEASA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461024 436212864 /nfs/dbraw/zinc/21/28/64/436212864.db2.gz CWLRCBMZVZJMAN-IPMKNSEASA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153478 436287937 /nfs/dbraw/zinc/28/79/37/436287937.db2.gz SBDCWTLXGPEDMG-OXJNMPFZSA-N 2 1 316.489 3.402 20 0 DGADMP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153478 436287940 /nfs/dbraw/zinc/28/79/40/436287940.db2.gz SBDCWTLXGPEDMG-OXJNMPFZSA-N 2 1 316.489 3.402 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657750650 436294818 /nfs/dbraw/zinc/29/48/18/436294818.db2.gz KZFLVHPIPINFRE-FQEVSTJZSA-N 2 1 316.489 3.228 20 0 DGADMP CCCC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000657750617 436295298 /nfs/dbraw/zinc/29/52/98/436295298.db2.gz KHPDCLKZHJUJBC-TVPLGVNVSA-N 2 1 308.510 3.436 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000662017172 436248353 /nfs/dbraw/zinc/24/83/53/436248353.db2.gz NEARZTIHPSRERA-LJQANCHMSA-N 2 1 301.478 3.073 20 0 DGADMP Cc1ccncc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657588692 436254781 /nfs/dbraw/zinc/25/47/81/436254781.db2.gz UVCTZFOJZCFGHH-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000653746245 436256129 /nfs/dbraw/zinc/25/61/29/436256129.db2.gz MMNLVLIRIFOURN-ZWKOTPCHSA-N 2 1 313.445 3.188 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)C1 ZINC000657594936 436256499 /nfs/dbraw/zinc/25/64/99/436256499.db2.gz LIPWLVDACULNSF-XBGMYJNYSA-N 2 1 322.452 3.056 20 0 DGADMP CCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657594211 436257231 /nfs/dbraw/zinc/25/72/31/436257231.db2.gz GMLYGHNENBHBON-NRFANRHFSA-N 2 1 324.468 3.105 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657630967 436265743 /nfs/dbraw/zinc/26/57/43/436265743.db2.gz SQMPIRVSRPDGSC-NZSAHSFTSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000657630967 436265747 /nfs/dbraw/zinc/26/57/47/436265747.db2.gz SQMPIRVSRPDGSC-NZSAHSFTSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774420 436300204 /nfs/dbraw/zinc/30/02/04/436300204.db2.gz YQHPUNIPSIAVGQ-UHOSZYNNSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250185 436314033 /nfs/dbraw/zinc/31/40/33/436314033.db2.gz AFDAFSGRDLELQP-ZFWWWQNUSA-N 2 1 320.864 3.386 20 0 DGADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252565 436314237 /nfs/dbraw/zinc/31/42/37/436314237.db2.gz ASCUMJAJWPZCCU-FXAWDEMLSA-N 2 1 322.452 3.498 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000662264759 436316780 /nfs/dbraw/zinc/31/67/80/436316780.db2.gz KWWKUUHPHKVQIY-HOCLYGCPSA-N 2 1 315.486 3.303 20 0 DGADMP CCOC1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000657823393 436318027 /nfs/dbraw/zinc/31/80/27/436318027.db2.gz FLIRJRIKJKJNKE-UHFFFAOYSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279452 436321474 /nfs/dbraw/zinc/32/14/74/436321474.db2.gz JOCHNTCLHRVZNB-HNNXBMFYSA-N 2 1 308.425 3.115 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000666995368 436322511 /nfs/dbraw/zinc/32/25/11/436322511.db2.gz LNVPRRNVAOZODH-NEWSRXKRSA-N 2 1 313.489 3.086 20 0 DGADMP Clc1cc2c(c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c1)OCC2 ZINC000666996855 436322760 /nfs/dbraw/zinc/32/27/60/436322760.db2.gz ISDRFAZRLXXADV-HNNXBMFYSA-N 2 1 306.837 3.039 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000662282733 436323734 /nfs/dbraw/zinc/32/37/34/436323734.db2.gz JTOJJAFNEGOLPD-MGPQQGTHSA-N 2 1 303.475 3.144 20 0 DGADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662281198 436323851 /nfs/dbraw/zinc/32/38/51/436323851.db2.gz VXNWFHNYKHCRAL-VFNWGFHPSA-N 2 1 322.452 3.156 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000662303723 436327405 /nfs/dbraw/zinc/32/74/05/436327405.db2.gz BRKCJTUJPWILNK-KLYKLPNCSA-N 2 1 314.473 3.451 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000662311261 436327655 /nfs/dbraw/zinc/32/76/55/436327655.db2.gz RHMWDHBFVOQYQO-FQEVSTJZSA-N 2 1 316.489 3.438 20 0 DGADMP c1ccc(-c2nc3c(s2)C[N@@H+](CC[C@H]2CC[NH2+]C2)CC3)cc1 ZINC000662304103 436327756 /nfs/dbraw/zinc/32/77/56/436327756.db2.gz FLBBYGYSPYAFRO-CQSZACIVSA-N 2 1 313.470 3.168 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1F ZINC000662304915 436328135 /nfs/dbraw/zinc/32/81/35/436328135.db2.gz DHZQULPWNMOXET-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)c1 ZINC000657861622 436328236 /nfs/dbraw/zinc/32/82/36/436328236.db2.gz VCHIYLVLPUGZEZ-CVEARBPZSA-N 2 1 320.502 3.261 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)c1 ZINC000657861622 436328240 /nfs/dbraw/zinc/32/82/40/436328240.db2.gz VCHIYLVLPUGZEZ-CVEARBPZSA-N 2 1 320.502 3.261 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000657868085 436330082 /nfs/dbraw/zinc/33/00/82/436330082.db2.gz RKMHAMDKPREJOC-QGZVFWFLSA-N 2 1 322.443 3.228 20 0 DGADMP CC(C)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327196 436330612 /nfs/dbraw/zinc/33/06/12/436330612.db2.gz FWLLRMCOGYJMLQ-UHFFFAOYSA-N 2 1 304.482 3.102 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CCO1 ZINC000662326299 436330919 /nfs/dbraw/zinc/33/09/19/436330919.db2.gz QTRLBNVDZSHKGK-SFHVURJKSA-N 2 1 302.462 3.107 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCO1 ZINC000662322743 436331073 /nfs/dbraw/zinc/33/10/73/436331073.db2.gz XLZAQHUACPKYHG-GOSISDBHSA-N 2 1 324.896 3.315 20 0 DGADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCC2CCC2)CC1 ZINC000662328051 436331270 /nfs/dbraw/zinc/33/12/70/436331270.db2.gz YATQVHMKHNZYBC-UHFFFAOYSA-N 2 1 316.493 3.246 20 0 DGADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657899112 436336025 /nfs/dbraw/zinc/33/60/25/436336025.db2.gz VXEKACIOTLPQMM-QGZVFWFLSA-N 2 1 302.466 3.105 20 0 DGADMP Cc1ccncc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658124486 436381384 /nfs/dbraw/zinc/38/13/84/436381384.db2.gz BRDQTYIMMMSGIC-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@H](C)C1 ZINC000658123781 436382208 /nfs/dbraw/zinc/38/22/08/436382208.db2.gz NRXBXPXEVNZRFI-SNPRPXQTSA-N 2 1 322.415 3.196 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@H](C)C1 ZINC000658123781 436382210 /nfs/dbraw/zinc/38/22/10/436382210.db2.gz NRXBXPXEVNZRFI-SNPRPXQTSA-N 2 1 322.415 3.196 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)C1 ZINC000658138061 436384691 /nfs/dbraw/zinc/38/46/91/436384691.db2.gz MMKMHOYITNETBQ-OALUTQOASA-N 2 1 314.473 3.066 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137882 436385178 /nfs/dbraw/zinc/38/51/78/436385178.db2.gz IRPIBQAWUCXFQP-FXAWDEMLSA-N 2 1 316.489 3.478 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)C1 ZINC000658138060 436385285 /nfs/dbraw/zinc/38/52/85/436385285.db2.gz MMKMHOYITNETBQ-MOPGFXCFSA-N 2 1 314.473 3.066 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H](C)C1 ZINC000658140479 436386256 /nfs/dbraw/zinc/38/62/56/436386256.db2.gz UMGPVMIJBNXACP-SMOSDQRPSA-N 2 1 316.489 3.168 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)C1 ZINC000658144967 436386864 /nfs/dbraw/zinc/38/68/64/436386864.db2.gz PNBQAROQODRDBB-PZJWPPBQSA-N 2 1 322.452 3.030 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658145282 436387317 /nfs/dbraw/zinc/38/73/17/436387317.db2.gz RFHFDAKSRHAPGB-VQIMIIECSA-N 2 1 304.478 3.168 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000658194557 436399048 /nfs/dbraw/zinc/39/90/48/436399048.db2.gz PEIAGQARUJEAJS-XFUTXVRSSA-N 2 1 300.446 3.059 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000658228287 436405913 /nfs/dbraw/zinc/40/59/13/436405913.db2.gz HDPCKVHNWZULOR-SPUZQDLCSA-N 2 1 306.494 3.187 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000658228287 436405915 /nfs/dbraw/zinc/40/59/15/436405915.db2.gz HDPCKVHNWZULOR-SPUZQDLCSA-N 2 1 306.494 3.187 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658231061 436406464 /nfs/dbraw/zinc/40/64/64/436406464.db2.gz SBQFQIOMOHJWIL-ZWKOTPCHSA-N 2 1 313.489 3.326 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658231061 436406468 /nfs/dbraw/zinc/40/64/68/436406468.db2.gz SBQFQIOMOHJWIL-ZWKOTPCHSA-N 2 1 313.489 3.326 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCOC1(C)C ZINC000658329999 436431126 /nfs/dbraw/zinc/43/11/26/436431126.db2.gz GZJONUXCQGSQNU-NEWSRXKRSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC1(C)C ZINC000658329994 436431204 /nfs/dbraw/zinc/43/12/04/436431204.db2.gz GZJONUXCQGSQNU-BHIYHBOVSA-N 2 1 316.489 3.302 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1C ZINC000663344780 436442151 /nfs/dbraw/zinc/44/21/51/436442151.db2.gz WTSMEDSSEASEIC-SFHVURJKSA-N 2 1 302.462 3.215 20 0 DGADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346187 436443119 /nfs/dbraw/zinc/44/31/19/436443119.db2.gz QGQOHMRTAQAGPM-AWEZNQCLSA-N 2 1 305.491 3.232 20 0 DGADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346187 436443124 /nfs/dbraw/zinc/44/31/24/436443124.db2.gz QGQOHMRTAQAGPM-AWEZNQCLSA-N 2 1 305.491 3.232 20 0 DGADMP c1cnn(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2)c1 ZINC000663347827 436444246 /nfs/dbraw/zinc/44/42/46/436444246.db2.gz WXUIHPSZXBHHPV-LJQANCHMSA-N 2 1 324.472 3.084 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663464667 436463394 /nfs/dbraw/zinc/46/33/94/436463394.db2.gz FWUSQMADKYUMSZ-AEFFLSMTSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466488 436464237 /nfs/dbraw/zinc/46/42/37/436464237.db2.gz UNQNSOASUASDAK-RDJZCZTQSA-N 2 1 304.453 3.468 20 0 DGADMP CC(C)n1cc([C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468587 436465436 /nfs/dbraw/zinc/46/54/36/436465436.db2.gz MJKBSFKUNGABSK-NVXWUHKLSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663468587 436465438 /nfs/dbraw/zinc/46/54/38/436465438.db2.gz MJKBSFKUNGABSK-NVXWUHKLSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468587 436465440 /nfs/dbraw/zinc/46/54/40/436465440.db2.gz MJKBSFKUNGABSK-NVXWUHKLSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000658253326 436412206 /nfs/dbraw/zinc/41/22/06/436412206.db2.gz LMOSSCWWXKWRCW-IAGOWNOFSA-N 2 1 306.494 3.329 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658288260 436418537 /nfs/dbraw/zinc/41/85/37/436418537.db2.gz SDUOJCGBBWPQNJ-WDSOQIARSA-N 2 1 307.526 3.103 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)CC1 ZINC000658287892 436418708 /nfs/dbraw/zinc/41/87/08/436418708.db2.gz KXCYTSFZBDIZQR-RBUKOAKNSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC(F)CC1 ZINC000658288221 436419636 /nfs/dbraw/zinc/41/96/36/436419636.db2.gz BGHZABYKQUYJPD-MMIPBJDJSA-N 2 1 312.473 3.136 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc32)[C@@H](C)C1 ZINC000658318631 436428840 /nfs/dbraw/zinc/42/88/40/436428840.db2.gz RAKJBIQCVXDZGO-ZFWWWQNUSA-N 2 1 303.475 3.159 20 0 DGADMP Cc1ccc(C)c([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000660005776 436578314 /nfs/dbraw/zinc/57/83/14/436578314.db2.gz NBAKYVYRJXPIFH-PKOBYXMFSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660005776 436578315 /nfs/dbraw/zinc/57/83/15/436578315.db2.gz NBAKYVYRJXPIFH-PKOBYXMFSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660005776 436578319 /nfs/dbraw/zinc/57/83/19/436578319.db2.gz NBAKYVYRJXPIFH-PKOBYXMFSA-N 2 1 304.478 3.141 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655352521 436532596 /nfs/dbraw/zinc/53/25/96/436532596.db2.gz MFZPCUGHRJBNPB-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Cn1c[nH+]cc1CCOc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000664100600 436557852 /nfs/dbraw/zinc/55/78/52/436557852.db2.gz JWUDCMJLMYBXOB-UHFFFAOYSA-N 2 1 319.836 3.291 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1COC(C)(C)C1 ZINC000659970293 436569473 /nfs/dbraw/zinc/56/94/73/436569473.db2.gz IUIROIUOFGGNTP-ZWKOTPCHSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1COC(C)(C)C1 ZINC000659970293 436569475 /nfs/dbraw/zinc/56/94/75/436569475.db2.gz IUIROIUOFGGNTP-ZWKOTPCHSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1COC(C)(C)C1 ZINC000659970293 436569478 /nfs/dbraw/zinc/56/94/78/436569478.db2.gz IUIROIUOFGGNTP-ZWKOTPCHSA-N 2 1 302.462 3.008 20 0 DGADMP c1cn2c(n1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000655685443 436574236 /nfs/dbraw/zinc/57/42/36/436574236.db2.gz DGCVEGLSDXEUNW-SFHVURJKSA-N 2 1 310.445 3.104 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CS1 ZINC000655691030 436576261 /nfs/dbraw/zinc/57/62/61/436576261.db2.gz BOMREWDBHLADIA-CRAIPNDOSA-N 2 1 304.503 3.309 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CS1 ZINC000655691030 436576266 /nfs/dbraw/zinc/57/62/66/436576266.db2.gz BOMREWDBHLADIA-CRAIPNDOSA-N 2 1 304.503 3.309 20 0 DGADMP CCSc1ccc([C@@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194236 436601796 /nfs/dbraw/zinc/60/17/96/436601796.db2.gz GPLYQMFDCZMSHV-ZBFHGGJFSA-N 2 1 310.507 3.150 20 0 DGADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000660255734 436613875 /nfs/dbraw/zinc/61/38/75/436613875.db2.gz FRUHMEVRRUKVLR-VDZJLULYSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000660265606 436616176 /nfs/dbraw/zinc/61/61/76/436616176.db2.gz IFRVLXKNKIYDKY-DZGCQCFKSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000660265606 436616177 /nfs/dbraw/zinc/61/61/77/436616177.db2.gz IFRVLXKNKIYDKY-DZGCQCFKSA-N 2 1 306.475 3.253 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000443200141 302209038 /nfs/dbraw/zinc/20/90/38/302209038.db2.gz FVKAIRYCHQFIHN-LPWQTFTOSA-N 2 1 315.505 3.059 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000443200141 302209042 /nfs/dbraw/zinc/20/90/42/302209042.db2.gz FVKAIRYCHQFIHN-LPWQTFTOSA-N 2 1 315.505 3.059 20 0 DGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423534157 303117031 /nfs/dbraw/zinc/11/70/31/303117031.db2.gz VJDPQWKENAPENB-LVQVYYBASA-N 2 1 312.379 3.453 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000132755436 312649985 /nfs/dbraw/zinc/64/99/85/312649985.db2.gz RNNRFJUWALLDIS-GFCCVEGCSA-N 2 1 304.463 3.341 20 0 DGADMP Cc1ccnc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC000529524479 313215965 /nfs/dbraw/zinc/21/59/65/313215965.db2.gz BPUPZPYNHUZKJY-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000530230204 313343932 /nfs/dbraw/zinc/34/39/32/313343932.db2.gz FNBWEWFFFAMHLX-IHJVYAAUSA-N 2 1 316.489 3.148 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000532188162 313525649 /nfs/dbraw/zinc/52/56/49/313525649.db2.gz BSVQRWGLVSUXQB-APWZRJJASA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000536704247 313781098 /nfs/dbraw/zinc/78/10/98/313781098.db2.gz WGYKWEQUMXOGMY-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539077766 313898587 /nfs/dbraw/zinc/89/85/87/313898587.db2.gz AVMIIYPVVWGBDS-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H]1C[C@H](C)C[NH+]1CC1(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)COC1 ZINC000542001466 314052329 /nfs/dbraw/zinc/05/23/29/314052329.db2.gz JXVXQCLUCNEWIE-XLAORIBOSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC1(C[NH+]2C[C@@H](C)C[C@@H]2CC)COC1 ZINC000542001466 314052331 /nfs/dbraw/zinc/05/23/31/314052331.db2.gz JXVXQCLUCNEWIE-XLAORIBOSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CC1(C[NH+]2C[C@@H](C)C[C@@H]2CC)COC1 ZINC000542001466 314052334 /nfs/dbraw/zinc/05/23/34/314052334.db2.gz JXVXQCLUCNEWIE-XLAORIBOSA-N 2 1 308.510 3.244 20 0 DGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000543014696 314110072 /nfs/dbraw/zinc/11/00/72/314110072.db2.gz IWTAWUBBEHTFNU-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000543592086 314143029 /nfs/dbraw/zinc/14/30/29/314143029.db2.gz SZDXRCCMMSPCSG-OPRRPXDXSA-N 2 1 320.521 3.292 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000544580541 314200823 /nfs/dbraw/zinc/20/08/23/314200823.db2.gz YKPVOOLLUBITIX-BHUNQDJPSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000544580541 314200827 /nfs/dbraw/zinc/20/08/27/314200827.db2.gz YKPVOOLLUBITIX-BHUNQDJPSA-N 2 1 322.493 3.103 20 0 DGADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545279330 314240524 /nfs/dbraw/zinc/24/05/24/314240524.db2.gz DLUPVJWOFQELQM-RDJZCZTQSA-N 2 1 321.534 3.205 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000545983059 314282047 /nfs/dbraw/zinc/28/20/47/314282047.db2.gz FGMFBIOOQULAOL-LBPRGKRZSA-N 2 1 311.351 3.202 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c2ccccc12 ZINC000547538773 314378825 /nfs/dbraw/zinc/37/88/25/314378825.db2.gz HIWNSOUXXFWMNZ-CQSZACIVSA-N 2 1 309.413 3.475 20 0 DGADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614061 315036198 /nfs/dbraw/zinc/03/61/98/315036198.db2.gz LSGFLKDRYREYOG-GHTZIAJQSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614061 315036200 /nfs/dbraw/zinc/03/62/00/315036200.db2.gz LSGFLKDRYREYOG-GHTZIAJQSA-N 2 1 324.468 3.017 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000563135486 315082635 /nfs/dbraw/zinc/08/26/35/315082635.db2.gz LAXSXEBXWMZGFK-RTBURBONSA-N 2 1 322.452 3.404 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000563352302 315105451 /nfs/dbraw/zinc/10/54/51/315105451.db2.gz BVPUVAMLXNKREJ-CQSZACIVSA-N 2 1 317.433 3.111 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000563688968 315132265 /nfs/dbraw/zinc/13/22/65/315132265.db2.gz CKKPDGLMOLCCAI-KDOFPFPSSA-N 2 1 314.477 3.252 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565095710 315229559 /nfs/dbraw/zinc/22/95/59/315229559.db2.gz NFSLKORSIZLCFS-UHFFFAOYSA-N 2 1 324.424 3.083 20 0 DGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000565166686 315236590 /nfs/dbraw/zinc/23/65/90/315236590.db2.gz TWYYYRUYZVZTDU-QZTJIDSGSA-N 2 1 307.482 3.316 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000565769723 315285892 /nfs/dbraw/zinc/28/58/92/315285892.db2.gz RMKIYBFNPFCNDN-QGZVFWFLSA-N 2 1 316.489 3.456 20 0 DGADMP Cc1ccc(OC2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000565958848 315300989 /nfs/dbraw/zinc/30/09/89/315300989.db2.gz FIWFQIYNYMDEAV-UHFFFAOYSA-N 2 1 313.445 3.205 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@@H+]1C1CC1 ZINC000565982459 315302083 /nfs/dbraw/zinc/30/20/83/315302083.db2.gz BOPKYBUJBSUEGH-DGCLKSJQSA-N 2 1 301.821 3.347 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@H+]1C1CC1 ZINC000565982459 315302084 /nfs/dbraw/zinc/30/20/84/315302084.db2.gz BOPKYBUJBSUEGH-DGCLKSJQSA-N 2 1 301.821 3.347 20 0 DGADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000565997999 315303342 /nfs/dbraw/zinc/30/33/42/315303342.db2.gz VQQVJMMOJMASBO-BOFPYLFWSA-N 2 1 313.445 3.305 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000566416905 315342614 /nfs/dbraw/zinc/34/26/14/315342614.db2.gz UDHIWUOIORCQGW-MRXNPFEDSA-N 2 1 310.869 3.012 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000566416905 315342618 /nfs/dbraw/zinc/34/26/18/315342618.db2.gz UDHIWUOIORCQGW-MRXNPFEDSA-N 2 1 310.869 3.012 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000566975739 315387251 /nfs/dbraw/zinc/38/72/51/315387251.db2.gz IWKHGWGRXQRIED-OAGGEKHMSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000566975739 315387254 /nfs/dbraw/zinc/38/72/54/315387254.db2.gz IWKHGWGRXQRIED-OAGGEKHMSA-N 2 1 313.445 3.455 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCN(C)Cc2ccccc2)CC1 ZINC000567071962 315394727 /nfs/dbraw/zinc/39/47/27/315394727.db2.gz CWXVTYVNBXPWQA-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP CC(C)[N@H+](C)CC1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000567071962 315394729 /nfs/dbraw/zinc/39/47/29/315394729.db2.gz CWXVTYVNBXPWQA-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000567071962 315394731 /nfs/dbraw/zinc/39/47/31/315394731.db2.gz CWXVTYVNBXPWQA-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP CC(C)[NH+](C)CC1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000567071962 315394734 /nfs/dbraw/zinc/39/47/34/315394734.db2.gz CWXVTYVNBXPWQA-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP CC(C)[NH+](C)CC1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000567071962 315394735 /nfs/dbraw/zinc/39/47/35/315394735.db2.gz CWXVTYVNBXPWQA-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000567147696 315399603 /nfs/dbraw/zinc/39/96/03/315399603.db2.gz XCKOKCMCDLGJCS-GFCCVEGCSA-N 2 1 307.800 3.245 20 0 DGADMP CC[C@@H](CNCc1[nH+]c(C(C)C)n2ccccc12)[NH+]1CCCC1 ZINC000570974198 315687953 /nfs/dbraw/zinc/68/79/53/315687953.db2.gz YANIUJKCFSQJBY-INIZCTEOSA-N 2 1 314.477 3.422 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000573112525 315841896 /nfs/dbraw/zinc/84/18/96/315841896.db2.gz CSBPDVWFWZDCEL-MSOLQXFVSA-N 2 1 306.498 3.008 20 0 DGADMP CCC[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000573815634 315903026 /nfs/dbraw/zinc/90/30/26/315903026.db2.gz SSROMBPRWISKFG-SFHVURJKSA-N 2 1 304.478 3.007 20 0 DGADMP Cc1ccc2ccccc2c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575069357 316030854 /nfs/dbraw/zinc/03/08/54/316030854.db2.gz YCGLSSXVYONTDH-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1sccc1Br ZINC000575114917 316034453 /nfs/dbraw/zinc/03/44/53/316034453.db2.gz KBCSQIAQASIROF-NXEZZACHSA-N 2 1 303.269 3.161 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999331 316084520 /nfs/dbraw/zinc/08/45/20/316084520.db2.gz GATCPLMBJDNSAV-RTBURBONSA-N 2 1 304.478 3.260 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999331 316084525 /nfs/dbraw/zinc/08/45/25/316084525.db2.gz GATCPLMBJDNSAV-RTBURBONSA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999331 316084526 /nfs/dbraw/zinc/08/45/26/316084526.db2.gz GATCPLMBJDNSAV-RTBURBONSA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999331 316084529 /nfs/dbraw/zinc/08/45/29/316084529.db2.gz GATCPLMBJDNSAV-RTBURBONSA-N 2 1 304.478 3.260 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169366 316102505 /nfs/dbraw/zinc/10/25/05/316102505.db2.gz HHKXIQDVWDYBSA-QFBILLFUSA-N 2 1 304.478 3.162 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169366 316102509 /nfs/dbraw/zinc/10/25/09/316102509.db2.gz HHKXIQDVWDYBSA-QFBILLFUSA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169366 316102512 /nfs/dbraw/zinc/10/25/12/316102512.db2.gz HHKXIQDVWDYBSA-QFBILLFUSA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000576169366 316102514 /nfs/dbraw/zinc/10/25/14/316102514.db2.gz HHKXIQDVWDYBSA-QFBILLFUSA-N 2 1 304.478 3.162 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000576534638 316140954 /nfs/dbraw/zinc/14/09/54/316140954.db2.gz GAMDNRUYMZXFOC-SLFFLAALSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000576534638 316140956 /nfs/dbraw/zinc/14/09/56/316140956.db2.gz GAMDNRUYMZXFOC-SLFFLAALSA-N 2 1 316.489 3.353 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc2nccn21 ZINC000180062866 323220751 /nfs/dbraw/zinc/22/07/51/323220751.db2.gz WTDBZFCYNTXEKY-OAHLLOKOSA-N 2 1 309.413 3.406 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000183960893 323352108 /nfs/dbraw/zinc/35/21/08/323352108.db2.gz YMAZALGWOLIMIT-SOLBZPMBSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000184496591 323367136 /nfs/dbraw/zinc/36/71/36/323367136.db2.gz PODSXHFLAYCTGX-HUUCEWRRSA-N 2 1 304.434 3.330 20 0 DGADMP CCc1ccc([C@H](COC)[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000184855726 323375632 /nfs/dbraw/zinc/37/56/32/323375632.db2.gz ZTMCYNNIFJFKHH-INIZCTEOSA-N 2 1 305.422 3.104 20 0 DGADMP C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731059 323394477 /nfs/dbraw/zinc/39/44/77/323394477.db2.gz MWLVUDOARLGVRZ-CVEARBPZSA-N 2 1 324.509 3.351 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000580801491 324040144 /nfs/dbraw/zinc/04/01/44/324040144.db2.gz LOYXZNBYGZUKRC-INIZCTEOSA-N 2 1 304.478 3.264 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000580801491 324040147 /nfs/dbraw/zinc/04/01/47/324040147.db2.gz LOYXZNBYGZUKRC-INIZCTEOSA-N 2 1 304.478 3.264 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000581099865 324074098 /nfs/dbraw/zinc/07/40/98/324074098.db2.gz JDNOHVZSOURHPN-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000581099865 324074103 /nfs/dbraw/zinc/07/41/03/324074103.db2.gz JDNOHVZSOURHPN-QUCCMNQESA-N 2 1 317.521 3.013 20 0 DGADMP CC(C)c1[nH+]c(CN(C)CCC[NH+]2CCCC2)c2ccccn21 ZINC000581433767 324117532 /nfs/dbraw/zinc/11/75/32/324117532.db2.gz UZLQLVHYJGLBIV-UHFFFAOYSA-N 2 1 314.477 3.375 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581489544 324122802 /nfs/dbraw/zinc/12/28/02/324122802.db2.gz JWUKQJWZANVMCD-ZWKOTPCHSA-N 2 1 310.441 3.150 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000581645605 324139804 /nfs/dbraw/zinc/13/98/04/324139804.db2.gz KGPAKIMBNBRXCR-FBQSCOBBSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000581645606 324139902 /nfs/dbraw/zinc/13/99/02/324139902.db2.gz KGPAKIMBNBRXCR-ICSRWYNCSA-N 2 1 316.489 3.257 20 0 DGADMP CC(C)COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582632236 324255361 /nfs/dbraw/zinc/25/53/61/324255361.db2.gz ANZUCLMRMDALQY-QFBILLFUSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582632236 324255364 /nfs/dbraw/zinc/25/53/64/324255364.db2.gz ANZUCLMRMDALQY-QFBILLFUSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000582632236 324255370 /nfs/dbraw/zinc/25/53/70/324255370.db2.gz ANZUCLMRMDALQY-QFBILLFUSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000582632236 324255373 /nfs/dbraw/zinc/25/53/73/324255373.db2.gz ANZUCLMRMDALQY-QFBILLFUSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c2ccccn21 ZINC000582670657 324260416 /nfs/dbraw/zinc/26/04/16/324260416.db2.gz ICOPOLGNIKEAAV-CVEARBPZSA-N 2 1 312.461 3.126 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c2ccccn21 ZINC000582670657 324260419 /nfs/dbraw/zinc/26/04/19/324260419.db2.gz ICOPOLGNIKEAAV-CVEARBPZSA-N 2 1 312.461 3.126 20 0 DGADMP COc1cccc2c1CCC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000583011653 324302537 /nfs/dbraw/zinc/30/25/37/324302537.db2.gz BBUXHXTUQONEOK-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032401 324304902 /nfs/dbraw/zinc/30/49/02/324304902.db2.gz NFFIKQZRSHBGQX-DNVCBOLYSA-N 2 1 313.445 3.444 20 0 DGADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032401 324304907 /nfs/dbraw/zinc/30/49/07/324304907.db2.gz NFFIKQZRSHBGQX-DNVCBOLYSA-N 2 1 313.445 3.444 20 0 DGADMP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032398 324305349 /nfs/dbraw/zinc/30/53/49/324305349.db2.gz NFFIKQZRSHBGQX-BEFAXECRSA-N 2 1 313.445 3.444 20 0 DGADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000583032398 324305351 /nfs/dbraw/zinc/30/53/51/324305351.db2.gz NFFIKQZRSHBGQX-BEFAXECRSA-N 2 1 313.445 3.444 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1)CC1CC1 ZINC000583634373 324379022 /nfs/dbraw/zinc/37/90/22/324379022.db2.gz SHUZCCNQZFAHPH-UXHICEINSA-N 2 1 322.537 3.372 20 0 DGADMP CCc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c2ccccc2[nH+]1 ZINC000301806957 500744898 /nfs/dbraw/zinc/74/48/98/500744898.db2.gz VZJQUORBISMYLO-INIZCTEOSA-N 2 1 311.429 3.072 20 0 DGADMP CCc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)c2ccccc2[nH+]1 ZINC000301806957 500744902 /nfs/dbraw/zinc/74/49/02/500744902.db2.gz VZJQUORBISMYLO-INIZCTEOSA-N 2 1 311.429 3.072 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178371202 500927119 /nfs/dbraw/zinc/92/71/19/500927119.db2.gz VQUBQCWXXNMSRX-VVBPWWLESA-N 2 1 322.518 3.339 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178371202 500927126 /nfs/dbraw/zinc/92/71/26/500927126.db2.gz VQUBQCWXXNMSRX-VVBPWWLESA-N 2 1 322.518 3.339 20 0 DGADMP COc1cc(C[NH+]2CC[C@H](C)C2)cc(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000432816516 533820102 /nfs/dbraw/zinc/82/01/02/533820102.db2.gz QPCKSGUJPOUZFF-IYBDPMFKSA-N 2 1 302.462 3.379 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H](C)C2)cc(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000432816516 533820118 /nfs/dbraw/zinc/82/01/18/533820118.db2.gz QPCKSGUJPOUZFF-IYBDPMFKSA-N 2 1 302.462 3.379 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H](C)C2)cc(C[N@H+]2CC[C@H](C)C2)c1 ZINC000432816516 533820130 /nfs/dbraw/zinc/82/01/30/533820130.db2.gz QPCKSGUJPOUZFF-IYBDPMFKSA-N 2 1 302.462 3.379 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309837151 533845837 /nfs/dbraw/zinc/84/58/37/533845837.db2.gz IVHPXYMUHAQHKE-UYAOXDASSA-N 3 1 317.521 3.396 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])CC(C)C)ccc1OC1CCCC1 ZINC000415087851 533877763 /nfs/dbraw/zinc/87/77/63/533877763.db2.gz VIGQEMWKIQDUNY-INIZCTEOSA-N 2 1 320.477 3.480 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309734803 533950931 /nfs/dbraw/zinc/95/09/31/533950931.db2.gz QIXXGQGZINZHOG-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924304 534089080 /nfs/dbraw/zinc/08/90/80/534089080.db2.gz ACXCFXJSAPZYSI-HOTGVXAUSA-N 2 1 323.440 3.281 20 0 DGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430924303 534129582 /nfs/dbraw/zinc/12/95/82/534129582.db2.gz ACXCFXJSAPZYSI-CVEARBPZSA-N 2 1 323.440 3.281 20 0 DGADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309711503 534447489 /nfs/dbraw/zinc/44/74/89/534447489.db2.gz JKSYFPMLHRNXBV-INIZCTEOSA-N 2 1 314.404 3.143 20 0 DGADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309711503 534447497 /nfs/dbraw/zinc/44/74/97/534447497.db2.gz JKSYFPMLHRNXBV-INIZCTEOSA-N 2 1 314.404 3.143 20 0 DGADMP Cc1[nH+]c2ccccc2c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1C ZINC000302102841 534670608 /nfs/dbraw/zinc/67/06/08/534670608.db2.gz VVKVMDRXSIQJTR-CVEARBPZSA-N 2 1 313.445 3.373 20 0 DGADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423283805 526310683 /nfs/dbraw/zinc/31/06/83/526310683.db2.gz WHLGBRLJSRKRNS-UDPNFQSTSA-N 2 1 302.462 3.290 20 0 DGADMP CC(C)(C)[NH2+]CC[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000415082507 526332253 /nfs/dbraw/zinc/33/22/53/526332253.db2.gz MCBREKRPDBCUTA-UHFFFAOYSA-N 2 1 318.490 3.115 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000415045893 526696269 /nfs/dbraw/zinc/69/62/69/526696269.db2.gz BYLVJADKAHMRNR-LBPRGKRZSA-N 2 1 303.219 3.051 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000157314907 527167201 /nfs/dbraw/zinc/16/72/01/527167201.db2.gz HDUVZTNWLGJXQI-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP CC(C)OCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699272 527952390 /nfs/dbraw/zinc/95/23/90/527952390.db2.gz ZIQGMJRJBJTQMX-INIZCTEOSA-N 2 1 308.491 3.117 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415058977 528223179 /nfs/dbraw/zinc/22/31/79/528223179.db2.gz WGFYMNTZQPBLIT-PKOBYXMFSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780649 528251202 /nfs/dbraw/zinc/25/12/02/528251202.db2.gz LUPBWIOYSUGQEB-DLBZAZTESA-N 2 1 302.462 3.295 20 0 DGADMP CCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1O ZINC000297629668 528260206 /nfs/dbraw/zinc/26/02/06/528260206.db2.gz HRQLUDQIXDOLTI-UHFFFAOYSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1O ZINC000297629668 528260211 /nfs/dbraw/zinc/26/02/11/528260211.db2.gz HRQLUDQIXDOLTI-UHFFFAOYSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC ZINC000299304561 528275423 /nfs/dbraw/zinc/27/54/23/528275423.db2.gz BYWHMPSCNXOQEZ-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435625741 528400708 /nfs/dbraw/zinc/40/07/08/528400708.db2.gz JCENCPOWEKSKTJ-INIZCTEOSA-N 2 1 323.868 3.133 20 0 DGADMP CC[N@@H+](CCOc1ccc(SC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435613773 528574393 /nfs/dbraw/zinc/57/43/93/528574393.db2.gz KZHILIJZGAUKOE-HNNXBMFYSA-N 2 1 308.491 3.251 20 0 DGADMP CCC[C@@H](C)C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435427888 528877077 /nfs/dbraw/zinc/87/70/77/528877077.db2.gz OYBCIXDJRLORQS-SJORKVTESA-N 2 1 318.509 3.283 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000442718999 529016443 /nfs/dbraw/zinc/01/64/43/529016443.db2.gz PJUCACQBRBNRBM-YWZLYKJASA-N 2 1 311.473 3.345 20 0 DGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432409169 529033923 /nfs/dbraw/zinc/03/39/23/529033923.db2.gz FHIVLKFMLPKGKB-ICSRJNTNSA-N 2 1 318.505 3.344 20 0 DGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409169 529033929 /nfs/dbraw/zinc/03/39/29/529033929.db2.gz FHIVLKFMLPKGKB-ICSRJNTNSA-N 2 1 318.505 3.344 20 0 DGADMP CCCCc1oc2ccccc2c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415104525 529066608 /nfs/dbraw/zinc/06/66/08/529066608.db2.gz FCBYPJDMYUUFKZ-HNNXBMFYSA-N 2 1 316.445 3.325 20 0 DGADMP CCCCc1oc2ccccc2c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415104525 529066614 /nfs/dbraw/zinc/06/66/14/529066614.db2.gz FCBYPJDMYUUFKZ-HNNXBMFYSA-N 2 1 316.445 3.325 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000432415490 529161736 /nfs/dbraw/zinc/16/17/36/529161736.db2.gz CSCTZESVZGHKGP-MAUKXSAKSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778891 529202383 /nfs/dbraw/zinc/20/23/83/529202383.db2.gz KNTAMIXDDPZUMK-HOTGVXAUSA-N 2 1 311.473 3.489 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778891 529202387 /nfs/dbraw/zinc/20/23/87/529202387.db2.gz KNTAMIXDDPZUMK-HOTGVXAUSA-N 2 1 311.473 3.489 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCC(C)CC1 ZINC000493953688 535018380 /nfs/dbraw/zinc/01/83/80/535018380.db2.gz WEKYLLYOHYIRBA-FCGDIQPGSA-N 2 1 320.521 3.290 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000470015045 535495335 /nfs/dbraw/zinc/49/53/35/535495335.db2.gz JQNUIOPJCIXVGP-HZPDHXFCSA-N 2 1 321.484 3.349 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000470015045 535495339 /nfs/dbraw/zinc/49/53/39/535495339.db2.gz JQNUIOPJCIXVGP-HZPDHXFCSA-N 2 1 321.484 3.349 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000488105761 535820025 /nfs/dbraw/zinc/82/00/25/535820025.db2.gz CYKIXAZHRVXQTJ-XMTFNYHQSA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000488105761 535820026 /nfs/dbraw/zinc/82/00/26/535820026.db2.gz CYKIXAZHRVXQTJ-XMTFNYHQSA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449641338 536010849 /nfs/dbraw/zinc/01/08/49/536010849.db2.gz CYDWNWJUFTVOIF-BVGQSLNGSA-N 2 1 301.434 3.381 20 0 DGADMP CN(c1ccccc1)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472412470 536297865 /nfs/dbraw/zinc/29/78/65/536297865.db2.gz RJLDTLRPGFCIIT-SFHVURJKSA-N 2 1 315.505 3.462 20 0 DGADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000449478993 536853743 /nfs/dbraw/zinc/85/37/43/536853743.db2.gz LEAIBGJWAMDGIK-JQHSSLGASA-N 2 1 322.880 3.286 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2Cl)[C@H](C)C1 ZINC000090453385 545828690 /nfs/dbraw/zinc/82/86/90/545828690.db2.gz RLBNFTLHODTJHV-COXVUDFISA-N 2 1 310.869 3.347 20 0 DGADMP C[C@H](C1CC1)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000092009412 545843320 /nfs/dbraw/zinc/84/33/20/545843320.db2.gz UWVJWYVKTXHDDI-OAHLLOKOSA-N 2 1 302.462 3.390 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000134120335 545971049 /nfs/dbraw/zinc/97/10/49/545971049.db2.gz XEQOKRWLQZSXKJ-BBWFWOEESA-N 3 1 309.542 3.063 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000134120335 545971051 /nfs/dbraw/zinc/97/10/51/545971051.db2.gz XEQOKRWLQZSXKJ-BBWFWOEESA-N 2 1 309.542 3.063 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000161602226 546071662 /nfs/dbraw/zinc/07/16/62/546071662.db2.gz CCAGVRSWPQUMFK-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000164564590 546089407 /nfs/dbraw/zinc/08/94/07/546089407.db2.gz MRAVSCHFGKNLEA-QGTPRVQTSA-N 2 1 315.461 3.127 20 0 DGADMP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166702632 546096101 /nfs/dbraw/zinc/09/61/01/546096101.db2.gz AKGBKMZTBAHLPX-KBAYOESNSA-N 2 1 302.462 3.405 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000189183649 546210317 /nfs/dbraw/zinc/21/03/17/546210317.db2.gz IOZDPOQEUSMWGO-SFHVURJKSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000189183649 546210324 /nfs/dbraw/zinc/21/03/24/546210324.db2.gz IOZDPOQEUSMWGO-SFHVURJKSA-N 2 1 306.425 3.155 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1F ZINC000192702496 546236310 /nfs/dbraw/zinc/23/63/10/546236310.db2.gz KZKUFHUWBUWXDS-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1F ZINC000192702496 546236312 /nfs/dbraw/zinc/23/63/12/546236312.db2.gz KZKUFHUWBUWXDS-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccoc1 ZINC000246885519 546306775 /nfs/dbraw/zinc/30/67/75/546306775.db2.gz FCUFBFNJTFXIIQ-HZPDHXFCSA-N 2 1 314.429 3.351 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccoc1 ZINC000246885519 546306779 /nfs/dbraw/zinc/30/67/79/546306779.db2.gz FCUFBFNJTFXIIQ-HZPDHXFCSA-N 2 1 314.429 3.351 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285601213 546398777 /nfs/dbraw/zinc/39/87/77/546398777.db2.gz PNSCYEAOEJAIKL-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285601213 546398781 /nfs/dbraw/zinc/39/87/81/546398781.db2.gz PNSCYEAOEJAIKL-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285601213 546398784 /nfs/dbraw/zinc/39/87/84/546398784.db2.gz PNSCYEAOEJAIKL-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)(CO)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305770896 546446114 /nfs/dbraw/zinc/44/61/14/546446114.db2.gz PETYISDXKFJZSD-CEXWTWQISA-N 2 1 316.489 3.005 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000319368903 546464335 /nfs/dbraw/zinc/46/43/35/546464335.db2.gz XCLKVFMVCVSHOF-IFIJOSMWSA-N 2 1 310.388 3.410 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339068583 546533632 /nfs/dbraw/zinc/53/36/32/546533632.db2.gz RKINOLYTRJWBGI-QYZOEREBSA-N 2 1 307.526 3.103 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339224898 546535279 /nfs/dbraw/zinc/53/52/79/546535279.db2.gz VEAQZLSXSBSWOH-INIZCTEOSA-N 2 1 317.477 3.260 20 0 DGADMP CC[N@H+](CCC1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC1CC1 ZINC000356790909 546693717 /nfs/dbraw/zinc/69/37/17/546693717.db2.gz HZUXNEJFICGQBV-UHFFFAOYSA-N 2 1 316.493 3.432 20 0 DGADMP CC[N@@H+](CCC1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC1CC1 ZINC000356790909 546693720 /nfs/dbraw/zinc/69/37/20/546693720.db2.gz HZUXNEJFICGQBV-UHFFFAOYSA-N 2 1 316.493 3.432 20 0 DGADMP CCc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(C)n1 ZINC000359712116 546711371 /nfs/dbraw/zinc/71/13/71/546711371.db2.gz CAPWZNXBWPQQCM-VBQJREDUSA-N 2 1 302.466 3.189 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCOc1ccc(Cl)cc1)C2 ZINC000386880392 546745603 /nfs/dbraw/zinc/74/56/03/546745603.db2.gz CSUGVDDFQOEVJE-YOEHRIQHSA-N 2 1 308.853 3.170 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000396845612 546762643 /nfs/dbraw/zinc/76/26/43/546762643.db2.gz GPGYSDHKYKEPQO-INDMIFKZSA-N 2 1 314.473 3.054 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929188 546789753 /nfs/dbraw/zinc/78/97/53/546789753.db2.gz RDRZDFRDJLUSFU-ZWKOTPCHSA-N 2 1 303.494 3.004 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929188 546789757 /nfs/dbraw/zinc/78/97/57/546789757.db2.gz RDRZDFRDJLUSFU-ZWKOTPCHSA-N 3 1 303.494 3.004 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929188 546789762 /nfs/dbraw/zinc/78/97/62/546789762.db2.gz RDRZDFRDJLUSFU-ZWKOTPCHSA-N 3 1 303.494 3.004 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000446773436 546840721 /nfs/dbraw/zinc/84/07/21/546840721.db2.gz AAOVESBWUBTCFW-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000446773436 546840727 /nfs/dbraw/zinc/84/07/27/546840727.db2.gz AAOVESBWUBTCFW-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446773436 546840730 /nfs/dbraw/zinc/84/07/30/546840730.db2.gz AAOVESBWUBTCFW-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@@H]1c1ccccc1 ZINC000453377489 546860305 /nfs/dbraw/zinc/86/03/05/546860305.db2.gz XRAWBBCROWHSCR-DLBZAZTESA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@@H]1c1ccccc1 ZINC000453377489 546860309 /nfs/dbraw/zinc/86/03/09/546860309.db2.gz XRAWBBCROWHSCR-DLBZAZTESA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453404359 546861408 /nfs/dbraw/zinc/86/14/08/546861408.db2.gz RMNWQUIKCRLLSB-RBUKOAKNSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453404359 546861411 /nfs/dbraw/zinc/86/14/11/546861411.db2.gz RMNWQUIKCRLLSB-RBUKOAKNSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+]1CC[C@H](NCC[N@H+]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453404359 546861416 /nfs/dbraw/zinc/86/14/16/546861416.db2.gz RMNWQUIKCRLLSB-RBUKOAKNSA-N 2 1 315.505 3.286 20 0 DGADMP Cc1cc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603887 546949597 /nfs/dbraw/zinc/94/95/97/546949597.db2.gz NKVAPGBHGDYOPA-LPHOPBHVSA-N 2 1 324.472 3.228 20 0 DGADMP Cc1cc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603887 546949602 /nfs/dbraw/zinc/94/96/02/546949602.db2.gz NKVAPGBHGDYOPA-LPHOPBHVSA-N 2 1 324.472 3.228 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000517580684 546959655 /nfs/dbraw/zinc/95/96/55/546959655.db2.gz FHYBVXFYGYUJJS-SOLBZPMBSA-N 2 1 312.461 3.361 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000551198227 546996662 /nfs/dbraw/zinc/99/66/62/546996662.db2.gz WIGKMRXYRXBMRH-QXAKKESOSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198227 546996668 /nfs/dbraw/zinc/99/66/68/546996668.db2.gz WIGKMRXYRXBMRH-QXAKKESOSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551198227 546996672 /nfs/dbraw/zinc/99/66/72/546996672.db2.gz WIGKMRXYRXBMRH-QXAKKESOSA-N 2 1 303.494 3.140 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559853673 547001006 /nfs/dbraw/zinc/00/10/06/547001006.db2.gz AZVZFLKGLJIGTF-QHAWAJNXSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559853673 547001010 /nfs/dbraw/zinc/00/10/10/547001010.db2.gz AZVZFLKGLJIGTF-QHAWAJNXSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccncc4s3)CC[C@@H]21 ZINC000667705733 547281177 /nfs/dbraw/zinc/28/11/77/547281177.db2.gz JTALMOJXFSHGPL-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccncc4s3)CC[C@@H]21 ZINC000667705733 547281182 /nfs/dbraw/zinc/28/11/82/547281182.db2.gz JTALMOJXFSHGPL-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccncc4s3)CC[C@@H]21 ZINC000667705733 547281187 /nfs/dbraw/zinc/28/11/87/547281187.db2.gz JTALMOJXFSHGPL-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709073 547282329 /nfs/dbraw/zinc/28/23/29/547282329.db2.gz SKGHHZGESZENET-CRAIPNDOSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709073 547282334 /nfs/dbraw/zinc/28/23/34/547282334.db2.gz SKGHHZGESZENET-CRAIPNDOSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667709073 547282337 /nfs/dbraw/zinc/28/23/37/547282337.db2.gz SKGHHZGESZENET-CRAIPNDOSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667709073 547282341 /nfs/dbraw/zinc/28/23/41/547282341.db2.gz SKGHHZGESZENET-CRAIPNDOSA-N 2 1 320.502 3.343 20 0 DGADMP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667947204 547343552 /nfs/dbraw/zinc/34/35/52/547343552.db2.gz JIRSEXOMAUZJAP-KNTRFNDTSA-N 2 1 314.473 3.054 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)CC1 ZINC000668169128 547401362 /nfs/dbraw/zinc/40/13/62/547401362.db2.gz JNBGAWLCILKZAM-CYBMUJFWSA-N 2 1 312.379 3.268 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000668194298 547410730 /nfs/dbraw/zinc/41/07/30/547410730.db2.gz DHPMULKZIDJKBJ-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000668194298 547410732 /nfs/dbraw/zinc/41/07/32/547410732.db2.gz DHPMULKZIDJKBJ-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000668194298 547410737 /nfs/dbraw/zinc/41/07/37/547410737.db2.gz DHPMULKZIDJKBJ-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CC(C)c1nc(CNC[C@H]2CC[N@H+]2C(C)(C)C)c2ccccn21 ZINC000668431905 547455201 /nfs/dbraw/zinc/45/52/01/547455201.db2.gz GWBMFCSRFRHJJX-OAHLLOKOSA-N 2 1 314.477 3.420 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@H+]2C(C)(C)C)c2ccccn21 ZINC000668431905 547455216 /nfs/dbraw/zinc/45/52/16/547455216.db2.gz GWBMFCSRFRHJJX-OAHLLOKOSA-N 2 1 314.477 3.420 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000668591730 547487260 /nfs/dbraw/zinc/48/72/60/547487260.db2.gz AZAXVJKCKGTGFU-INIZCTEOSA-N 2 1 308.441 3.199 20 0 DGADMP CN(c1ccccc1C[N@H+]1CC[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000668677301 547507100 /nfs/dbraw/zinc/50/71/00/547507100.db2.gz LIAPNZJUYBJFOX-WMZOPIPTSA-N 2 1 313.489 3.059 20 0 DGADMP C[C@H](C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000670266271 547741435 /nfs/dbraw/zinc/74/14/35/547741435.db2.gz SGGMGSHFBRAOLX-HZPDHXFCSA-N 2 1 323.550 3.308 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C(C)(C)C ZINC000670267434 547741447 /nfs/dbraw/zinc/74/14/47/547741447.db2.gz FBZNPFRZJYWCOW-BHIYHBOVSA-N 2 1 318.505 3.141 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C(C)(C)C ZINC000670267434 547741449 /nfs/dbraw/zinc/74/14/49/547741449.db2.gz FBZNPFRZJYWCOW-BHIYHBOVSA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C(C)(C)c2ccccc2)CC1 ZINC000671245446 547780531 /nfs/dbraw/zinc/78/05/31/547780531.db2.gz CDOFHTZOFOPTTF-UHFFFAOYSA-N 2 1 317.521 3.270 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671746562 547823979 /nfs/dbraw/zinc/82/39/79/547823979.db2.gz CKOVQVRKNNNABE-RYUDHWBXSA-N 2 1 314.389 3.025 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671746563 547824067 /nfs/dbraw/zinc/82/40/67/547824067.db2.gz CKOVQVRKNNNABE-VXGBXAGGSA-N 2 1 314.389 3.025 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000672615245 547894790 /nfs/dbraw/zinc/89/47/90/547894790.db2.gz REGXLWPZBFAQBH-VIQHNZTISA-N 2 1 306.400 3.140 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000673717419 547985484 /nfs/dbraw/zinc/98/54/84/547985484.db2.gz ZRNKXEAUMQCUBL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000673717419 547985487 /nfs/dbraw/zinc/98/54/87/547985487.db2.gz ZRNKXEAUMQCUBL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000673717419 547985489 /nfs/dbraw/zinc/98/54/89/547985489.db2.gz ZRNKXEAUMQCUBL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000673717419 547985491 /nfs/dbraw/zinc/98/54/91/547985491.db2.gz ZRNKXEAUMQCUBL-LJQANCHMSA-N 2 1 316.489 3.346 20 0 DGADMP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000674247695 548052035 /nfs/dbraw/zinc/05/20/35/548052035.db2.gz IOKBECNSFCQWFN-HNNXBMFYSA-N 2 1 301.821 3.446 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000674247695 548052039 /nfs/dbraw/zinc/05/20/39/548052039.db2.gz IOKBECNSFCQWFN-HNNXBMFYSA-N 2 1 301.821 3.446 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301975 548059125 /nfs/dbraw/zinc/05/91/25/548059125.db2.gz IHOQPCOZJCVBRC-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301975 548059127 /nfs/dbraw/zinc/05/91/27/548059127.db2.gz IHOQPCOZJCVBRC-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301975 548059131 /nfs/dbraw/zinc/05/91/31/548059131.db2.gz IHOQPCOZJCVBRC-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000674301975 548059133 /nfs/dbraw/zinc/05/91/33/548059133.db2.gz IHOQPCOZJCVBRC-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000675813844 548278052 /nfs/dbraw/zinc/27/80/52/548278052.db2.gz NFNIJCLJLSIZCB-LJQANCHMSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000675881496 548283528 /nfs/dbraw/zinc/28/35/28/548283528.db2.gz MIAKMFOQQFYVJM-QUCCMNQESA-N 2 1 314.473 3.215 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000676712902 548399350 /nfs/dbraw/zinc/39/93/50/548399350.db2.gz QSUOSZPQFUDSBL-XLIONFOSSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000676712902 548399353 /nfs/dbraw/zinc/39/93/53/548399353.db2.gz QSUOSZPQFUDSBL-XLIONFOSSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000676712902 548399356 /nfs/dbraw/zinc/39/93/56/548399356.db2.gz QSUOSZPQFUDSBL-XLIONFOSSA-N 2 1 313.489 3.201 20 0 DGADMP CC(C)OCc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237677 548473530 /nfs/dbraw/zinc/47/35/30/548473530.db2.gz NMSVJIFVJDIENP-RBUKOAKNSA-N 2 1 302.462 3.328 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678120575 548616177 /nfs/dbraw/zinc/61/61/77/548616177.db2.gz LEMAFWOOLPIRGI-QGZVFWFLSA-N 2 1 302.462 3.393 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000678122531 548617285 /nfs/dbraw/zinc/61/72/85/548617285.db2.gz BXNASGZFRLVERD-UHFFFAOYSA-N 2 1 302.418 3.160 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C1CC1 ZINC000678338516 548681226 /nfs/dbraw/zinc/68/12/26/548681226.db2.gz DFJPTQMTQSTNSX-MISYRCLQSA-N 2 1 314.473 3.248 20 0 DGADMP Fc1ccccc1-c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000678342977 548684498 /nfs/dbraw/zinc/68/44/98/548684498.db2.gz JNBPNPXUQNUYGK-STQMWFEESA-N 2 1 302.418 3.205 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000678415952 548698472 /nfs/dbraw/zinc/69/84/72/548698472.db2.gz ZCZYKNJBMUHDJE-BBWFWOEESA-N 2 1 319.493 3.238 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2Cl)[C@@H](C)C1 ZINC000678596826 548736018 /nfs/dbraw/zinc/73/60/18/548736018.db2.gz RLBNFTLHODTJHV-RRQGHBQHSA-N 2 1 310.869 3.347 20 0 DGADMP CC(C)[C@@H]1CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678851617 548779384 /nfs/dbraw/zinc/77/93/84/548779384.db2.gz SADVBIAPOOLNMW-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP C[C@H]1C[C@H](Nc2ccc(CC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000679140536 548837653 /nfs/dbraw/zinc/83/76/53/548837653.db2.gz ZJSFWCHTQSPBAI-QFBILLFUSA-N 2 1 301.478 3.220 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679153082 548839862 /nfs/dbraw/zinc/83/98/62/548839862.db2.gz NFABZTNHSCNODR-FUHWJXTLSA-N 2 1 301.478 3.485 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CSC3)cc2)C1 ZINC000679625544 548925579 /nfs/dbraw/zinc/92/55/79/548925579.db2.gz WOUWQZZPFMWASV-GASCZTMLSA-N 2 1 304.503 3.370 20 0 DGADMP CC[N@H+](CCC(F)(F)F)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000680328855 549028737 /nfs/dbraw/zinc/02/87/37/549028737.db2.gz JPINNPXOOPRSRI-UHFFFAOYSA-N 2 1 312.339 3.350 20 0 DGADMP CC[N@@H+](CCC(F)(F)F)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000680328855 549028740 /nfs/dbraw/zinc/02/87/40/549028740.db2.gz JPINNPXOOPRSRI-UHFFFAOYSA-N 2 1 312.339 3.350 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000682380491 549312590 /nfs/dbraw/zinc/31/25/90/549312590.db2.gz MNLYBUITPDWFBP-LYNDAMRFSA-N 2 1 318.465 3.344 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000682380491 549312592 /nfs/dbraw/zinc/31/25/92/549312592.db2.gz MNLYBUITPDWFBP-LYNDAMRFSA-N 2 1 318.465 3.344 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000682380491 549312594 /nfs/dbraw/zinc/31/25/94/549312594.db2.gz MNLYBUITPDWFBP-LYNDAMRFSA-N 2 1 318.465 3.344 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000683705117 549522398 /nfs/dbraw/zinc/52/23/98/549522398.db2.gz MCEFCBXBYYNDHS-VQIMIIECSA-N 2 1 302.462 3.023 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000684551790 549657282 /nfs/dbraw/zinc/65/72/82/549657282.db2.gz GYWYRMMAPSEPBB-WMLDXEAASA-N 2 1 318.461 3.013 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684570017 549662337 /nfs/dbraw/zinc/66/23/37/549662337.db2.gz LSDABHYFHXTCDB-UHFFFAOYSA-N 2 1 313.445 3.497 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684953136 549723824 /nfs/dbraw/zinc/72/38/24/549723824.db2.gz JDRPBPPBICVNEY-JFIYKMOQSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684959022 549725577 /nfs/dbraw/zinc/72/55/77/549725577.db2.gz DBGATEDLHIFZBE-AEFFLSMTSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684959022 549725579 /nfs/dbraw/zinc/72/55/79/549725579.db2.gz DBGATEDLHIFZBE-AEFFLSMTSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000685470879 549767372 /nfs/dbraw/zinc/76/73/72/549767372.db2.gz ZKBARJNOZRNGIM-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000685470879 549767375 /nfs/dbraw/zinc/76/73/75/549767375.db2.gz ZKBARJNOZRNGIM-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000685470879 549767376 /nfs/dbraw/zinc/76/73/76/549767376.db2.gz ZKBARJNOZRNGIM-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685471072 549767476 /nfs/dbraw/zinc/76/74/76/549767476.db2.gz GEOKDIBVBNABBV-IJKBJJPYSA-N 2 1 300.446 3.125 20 0 DGADMP COc1ccccc1/C=C\C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000685471072 549767478 /nfs/dbraw/zinc/76/74/78/549767478.db2.gz GEOKDIBVBNABBV-IJKBJJPYSA-N 2 1 300.446 3.125 20 0 DGADMP COc1ccccc1/C=C\C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000685471072 549767481 /nfs/dbraw/zinc/76/74/81/549767481.db2.gz GEOKDIBVBNABBV-IJKBJJPYSA-N 2 1 300.446 3.125 20 0 DGADMP C[C@@H]1C[NH+](C/C=C\C[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000685590612 549779209 /nfs/dbraw/zinc/77/92/09/549779209.db2.gz IMXSCUASJODGPB-LQOBQMSGSA-N 2 1 322.390 3.497 20 0 DGADMP C[C@@H]1C[N@H+](C/C=C\C[NH+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000685590612 549779210 /nfs/dbraw/zinc/77/92/10/549779210.db2.gz IMXSCUASJODGPB-LQOBQMSGSA-N 2 1 322.390 3.497 20 0 DGADMP C[C@@H]1C[N@@H+](C/C=C\C[NH+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000685590612 549779212 /nfs/dbraw/zinc/77/92/12/549779212.db2.gz IMXSCUASJODGPB-LQOBQMSGSA-N 2 1 322.390 3.497 20 0 DGADMP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733328949 574616419 /nfs/dbraw/zinc/61/64/19/574616419.db2.gz IEOZWQIYNAYDSQ-NMIWIPSGSA-N 2 1 314.473 3.323 20 0 DGADMP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000740423861 574933506 /nfs/dbraw/zinc/93/35/06/574933506.db2.gz WKTCTOPPGIEFOL-AEFFLSMTSA-N 2 1 320.477 3.216 20 0 DGADMP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000740423861 574933508 /nfs/dbraw/zinc/93/35/08/574933508.db2.gz WKTCTOPPGIEFOL-AEFFLSMTSA-N 2 1 320.477 3.216 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000746706275 575471178 /nfs/dbraw/zinc/47/11/78/575471178.db2.gz NUQBFXITRAQLQW-ZCNNSNEGSA-N 2 1 316.489 3.101 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000746706275 575471181 /nfs/dbraw/zinc/47/11/81/575471181.db2.gz NUQBFXITRAQLQW-ZCNNSNEGSA-N 2 1 316.489 3.101 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1c2ccccc2-c2ccccc21 ZINC000749360308 575647634 /nfs/dbraw/zinc/64/76/34/575647634.db2.gz HQQYYJDJQDJINK-MRXNPFEDSA-N 2 1 322.452 3.145 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1c2ccccc2-c2ccccc21 ZINC000749360308 575647635 /nfs/dbraw/zinc/64/76/35/575647635.db2.gz HQQYYJDJQDJINK-MRXNPFEDSA-N 2 1 322.452 3.145 20 0 DGADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H](O)c1ccc(Cl)cc1 ZINC000852729113 620643409 /nfs/dbraw/zinc/64/34/09/620643409.db2.gz KUGHBIKAEVZNBR-OKZBNKHCSA-N 2 1 324.896 3.472 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000917014650 620652343 /nfs/dbraw/zinc/65/23/43/620652343.db2.gz ATVNAEQVCZTWHQ-RTBURBONSA-N 2 1 302.462 3.060 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000917014650 620652344 /nfs/dbraw/zinc/65/23/44/620652344.db2.gz ATVNAEQVCZTWHQ-RTBURBONSA-N 2 1 302.462 3.060 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000917014649 620652369 /nfs/dbraw/zinc/65/23/69/620652369.db2.gz ATVNAEQVCZTWHQ-RBUKOAKNSA-N 2 1 302.462 3.060 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000917014649 620652370 /nfs/dbraw/zinc/65/23/70/620652370.db2.gz ATVNAEQVCZTWHQ-RBUKOAKNSA-N 2 1 302.462 3.060 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804814684 617674384 /nfs/dbraw/zinc/67/43/84/617674384.db2.gz GRRIXYLOKMGTJS-YIONKMFJSA-N 2 1 311.429 3.305 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nccc3c2CCCC3)[C@H](C)C1 ZINC000892106699 617964359 /nfs/dbraw/zinc/96/43/59/617964359.db2.gz WVBSNKXGJHIIEU-DNVCBOLYSA-N 2 1 301.478 3.123 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc3c2CCCC3)[C@H](C)C1 ZINC000892106699 617964362 /nfs/dbraw/zinc/96/43/62/617964362.db2.gz WVBSNKXGJHIIEU-DNVCBOLYSA-N 2 1 301.478 3.123 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc3c2CCCC3)[C@H](C)C1 ZINC000892106699 617964367 /nfs/dbraw/zinc/96/43/67/617964367.db2.gz WVBSNKXGJHIIEU-DNVCBOLYSA-N 2 1 301.478 3.123 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000892144485 617974882 /nfs/dbraw/zinc/97/48/82/617974882.db2.gz DTSGBKATAKQKSW-MRXNPFEDSA-N 2 1 304.478 3.147 20 0 DGADMP COCCCC1(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000892145270 617975227 /nfs/dbraw/zinc/97/52/27/617975227.db2.gz SOFODNCVKWEQEI-GOSISDBHSA-N 2 1 308.510 3.247 20 0 DGADMP Cc1[nH+]ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000892300879 618013461 /nfs/dbraw/zinc/01/34/61/618013461.db2.gz SYRDTWSZNGVQRC-NSHDSACASA-N 2 1 321.222 3.260 20 0 DGADMP Cc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000919880671 620770140 /nfs/dbraw/zinc/77/01/40/620770140.db2.gz LTQXFTJAYDQJAV-UHFFFAOYSA-N 2 1 315.505 3.383 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925474414 620772350 /nfs/dbraw/zinc/77/23/50/620772350.db2.gz RAZNGCKEWLRXQZ-DLBZAZTESA-N 2 1 315.461 3.031 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000892509743 618090014 /nfs/dbraw/zinc/09/00/14/618090014.db2.gz CRHLYIJGYWYTER-AWEZNQCLSA-N 2 1 312.461 3.200 20 0 DGADMP CC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC)n1 ZINC000924568448 618100790 /nfs/dbraw/zinc/10/07/90/618100790.db2.gz CSEUDBMIMKQNDZ-AWEZNQCLSA-N 2 1 305.466 3.440 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892588727 618113652 /nfs/dbraw/zinc/11/36/52/618113652.db2.gz JJVKMCDNUPQKKT-IYBDPMFKSA-N 2 1 318.509 3.145 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000892608202 618117855 /nfs/dbraw/zinc/11/78/55/618117855.db2.gz NQVRTNIGCWUJCV-OMFOHFGMSA-N 2 1 306.400 3.427 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892741956 618152053 /nfs/dbraw/zinc/15/20/53/618152053.db2.gz DTHHJTQJASGXEH-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892741956 618152054 /nfs/dbraw/zinc/15/20/54/618152054.db2.gz DTHHJTQJASGXEH-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP COc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000892739529 618299075 /nfs/dbraw/zinc/29/90/75/618299075.db2.gz HWGXRUMZAIBSLI-QGZVFWFLSA-N 2 1 314.429 3.290 20 0 DGADMP Cc1nn(C(C)C)c(C)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417514 618320768 /nfs/dbraw/zinc/32/07/68/618320768.db2.gz OZKDESGROUOOSB-SJPCQFCGSA-N 2 1 304.482 3.138 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nccc4c3CCCC4)C2)CC1 ZINC000894477533 618348157 /nfs/dbraw/zinc/34/81/57/618348157.db2.gz RZUKNZMXUDCKRX-SFHVURJKSA-N 2 1 313.489 3.124 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2ccnc2s1 ZINC000894480280 618351011 /nfs/dbraw/zinc/35/10/11/618351011.db2.gz XXGQOAQMYWVYTR-UHFFFAOYSA-N 2 1 317.462 3.067 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2ccnc2s1 ZINC000894480280 618351017 /nfs/dbraw/zinc/35/10/17/618351017.db2.gz XXGQOAQMYWVYTR-UHFFFAOYSA-N 2 1 317.462 3.067 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851298 618476392 /nfs/dbraw/zinc/47/63/92/618476392.db2.gz PHOPMZCSHWVLSH-KRWDZBQOSA-N 2 1 302.443 3.135 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851298 618476395 /nfs/dbraw/zinc/47/63/95/618476395.db2.gz PHOPMZCSHWVLSH-KRWDZBQOSA-N 2 1 302.443 3.135 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851298 618476397 /nfs/dbraw/zinc/47/63/97/618476397.db2.gz PHOPMZCSHWVLSH-KRWDZBQOSA-N 2 1 302.443 3.135 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4c(cccc4O)s3)C2)C1 ZINC000894851298 618476399 /nfs/dbraw/zinc/47/63/99/618476399.db2.gz PHOPMZCSHWVLSH-KRWDZBQOSA-N 2 1 302.443 3.135 20 0 DGADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000925533831 618477845 /nfs/dbraw/zinc/47/78/45/618477845.db2.gz HFFAYYLGBQVMPZ-PMACEKPBSA-N 3 1 319.537 3.151 20 0 DGADMP C[C@@H](N)[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553561 618490354 /nfs/dbraw/zinc/49/03/54/618490354.db2.gz QUDQSWTUNUWGLL-IEBWSBKVSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553560 618490364 /nfs/dbraw/zinc/49/03/64/618490364.db2.gz QUDQSWTUNUWGLL-HKUYNNGSSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925552828 618490380 /nfs/dbraw/zinc/49/03/80/618490380.db2.gz LJSJAOJTOVUPDL-MISYRCLQSA-N 3 1 321.553 3.399 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000925586795 618501426 /nfs/dbraw/zinc/50/14/26/618501426.db2.gz FLIRTEMRTZRJLU-HZPDHXFCSA-N 2 1 305.466 3.109 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000925586795 618501432 /nfs/dbraw/zinc/50/14/32/618501432.db2.gz FLIRTEMRTZRJLU-HZPDHXFCSA-N 2 1 305.466 3.109 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000925588505 618501948 /nfs/dbraw/zinc/50/19/48/618501948.db2.gz QOOSIPLYQYZZGA-VQIMIIECSA-N 2 1 308.510 3.149 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893304101 618504479 /nfs/dbraw/zinc/50/44/79/618504479.db2.gz KSMJNTZESOWCKD-PRICJXRYSA-N 2 1 306.425 3.117 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925619756 618511421 /nfs/dbraw/zinc/51/14/21/618511421.db2.gz ARHIMIBRHRGPDN-ZWKOTPCHSA-N 3 1 307.526 3.007 20 0 DGADMP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000893333351 618519093 /nfs/dbraw/zinc/51/90/93/618519093.db2.gz VOVCIPPXWPYSRW-UHFFFAOYSA-N 2 1 300.402 3.174 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000925672783 618525703 /nfs/dbraw/zinc/52/57/03/618525703.db2.gz JPRWNKKCIUWJFU-ARFHVFGLSA-N 2 1 312.461 3.429 20 0 DGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(F)(F)c1ccc(F)cc1F ZINC000925728190 618570277 /nfs/dbraw/zinc/57/02/77/618570277.db2.gz BXIHBUOXXHZGSH-BTOWRCTQSA-N 2 1 316.342 3.162 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488192 618570529 /nfs/dbraw/zinc/57/05/29/618570529.db2.gz PTSSGZCGWLUZSF-GJZGRUSLSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488192 618570530 /nfs/dbraw/zinc/57/05/30/618570530.db2.gz PTSSGZCGWLUZSF-GJZGRUSLSA-N 2 1 305.441 3.272 20 0 DGADMP COC1CCC(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000893489256 618570991 /nfs/dbraw/zinc/57/09/91/618570991.db2.gz XZQYKZKMDUNPOY-XNGIKWSVSA-N 2 1 308.510 3.434 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)OC1 ZINC000925730309 618580838 /nfs/dbraw/zinc/58/08/38/618580838.db2.gz DSDJCCCDQGNKQD-KZNAEPCWSA-N 2 1 302.462 3.275 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)[NH+](C)C ZINC000895291885 618588849 /nfs/dbraw/zinc/58/88/49/618588849.db2.gz IYUGKRSNDHYRAN-AWEZNQCLSA-N 2 1 317.408 3.443 20 0 DGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780502 618617719 /nfs/dbraw/zinc/61/77/19/618617719.db2.gz SQBGLNCYBFQEDQ-HIFRSBDPSA-N 2 1 312.404 3.369 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCS2 ZINC000925781433 618618224 /nfs/dbraw/zinc/61/82/24/618618224.db2.gz YMWPCWNVUNKMKA-ZWNOBZJWSA-N 2 1 316.392 3.197 20 0 DGADMP COC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)cc1 ZINC000925838721 618642587 /nfs/dbraw/zinc/64/25/87/618642587.db2.gz CPXRIUUFQHBMBM-GVDBMIGSSA-N 2 1 308.853 3.149 20 0 DGADMP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893860876 618667549 /nfs/dbraw/zinc/66/75/49/618667549.db2.gz XZGXSIVVLYGXNR-KSSFIOAISA-N 2 1 322.880 3.444 20 0 DGADMP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000893860876 618667550 /nfs/dbraw/zinc/66/75/50/618667550.db2.gz XZGXSIVVLYGXNR-KSSFIOAISA-N 2 1 322.880 3.444 20 0 DGADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894133449 618717263 /nfs/dbraw/zinc/71/72/63/618717263.db2.gz AZFAAAZCOTVVNN-QGZVFWFLSA-N 2 1 313.420 3.141 20 0 DGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894134663 618717570 /nfs/dbraw/zinc/71/75/70/618717570.db2.gz LZEAKAJUNYUJQU-KRWDZBQOSA-N 2 1 313.445 3.157 20 0 DGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894134663 618717571 /nfs/dbraw/zinc/71/75/71/618717571.db2.gz LZEAKAJUNYUJQU-KRWDZBQOSA-N 2 1 313.445 3.157 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894200783 618727801 /nfs/dbraw/zinc/72/78/01/618727801.db2.gz RFWPYAVLFKVMDQ-CYBMUJFWSA-N 2 1 304.459 3.428 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(Br)CC2)C1 ZINC000924960241 618750137 /nfs/dbraw/zinc/75/01/37/618750137.db2.gz OBTWXOOUQJXOCR-STQMWFEESA-N 2 1 303.288 3.012 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000924969048 618753129 /nfs/dbraw/zinc/75/31/29/618753129.db2.gz GUNBOUTVFIOOPO-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000894376240 618774161 /nfs/dbraw/zinc/77/41/61/618774161.db2.gz RDFULIDDHLUXLO-RBUKOAKNSA-N 2 1 307.526 3.129 20 0 DGADMP COCC[N@@H+](C/C=C/c1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000895417349 618781278 /nfs/dbraw/zinc/78/12/78/618781278.db2.gz YSHKCRQOLYLLPC-GQCTYLIASA-N 2 1 320.452 3.129 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CSC3)CC23CC3)cc1 ZINC000895423423 618783540 /nfs/dbraw/zinc/78/35/40/618783540.db2.gz IZKDFXHLJVCSTL-KRWDZBQOSA-N 2 1 302.487 3.136 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CSC3)CC23CC3)cc1 ZINC000895423423 618783541 /nfs/dbraw/zinc/78/35/41/618783541.db2.gz IZKDFXHLJVCSTL-KRWDZBQOSA-N 2 1 302.487 3.136 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462234 618787708 /nfs/dbraw/zinc/78/77/08/618787708.db2.gz VRCPQSPFXFSRDO-DOMZBBRYSA-N 2 1 302.443 3.133 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462234 618787709 /nfs/dbraw/zinc/78/77/09/618787709.db2.gz VRCPQSPFXFSRDO-DOMZBBRYSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462234 618787710 /nfs/dbraw/zinc/78/77/10/618787710.db2.gz VRCPQSPFXFSRDO-DOMZBBRYSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462234 618787711 /nfs/dbraw/zinc/78/77/11/618787711.db2.gz VRCPQSPFXFSRDO-DOMZBBRYSA-N 2 1 302.443 3.133 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCN1c1cc[nH+]cc1 ZINC000895557380 618798634 /nfs/dbraw/zinc/79/86/34/618798634.db2.gz OOTJDMXQEKWWCN-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000895558538 618799102 /nfs/dbraw/zinc/79/91/02/618799102.db2.gz XNPWRUJWJNENOK-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895587173 618803111 /nfs/dbraw/zinc/80/31/11/618803111.db2.gz JYXPLYWHNCLLHK-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895587173 618803112 /nfs/dbraw/zinc/80/31/12/618803112.db2.gz JYXPLYWHNCLLHK-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2c(n1)CCCC2 ZINC000895587534 618803325 /nfs/dbraw/zinc/80/33/25/618803325.db2.gz XUQSJNHZLGJLGL-INIZCTEOSA-N 2 1 301.478 3.090 20 0 DGADMP CCn1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(C)n1 ZINC000895862086 618840705 /nfs/dbraw/zinc/84/07/05/618840705.db2.gz VDMFJOLQUDKNFZ-UHFFFAOYSA-N 2 1 306.498 3.011 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000896058293 618868019 /nfs/dbraw/zinc/86/80/19/618868019.db2.gz MIISGQCBVCGHQA-KBPBESRZSA-N 2 1 315.299 3.110 20 0 DGADMP Fc1ccc2c(NC[C@@H]3CC[N@@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896518924 618924113 /nfs/dbraw/zinc/92/41/13/618924113.db2.gz RZFFPECSGPNNMU-HNNXBMFYSA-N 2 1 315.392 3.039 20 0 DGADMP Fc1ccc2c(NC[C@@H]3CC[N@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896518924 618924116 /nfs/dbraw/zinc/92/41/16/618924116.db2.gz RZFFPECSGPNNMU-HNNXBMFYSA-N 2 1 315.392 3.039 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000897470566 619131997 /nfs/dbraw/zinc/13/19/97/619131997.db2.gz GTWVQZQKDVPPPD-GFCCVEGCSA-N 2 1 311.267 3.236 20 0 DGADMP OCCC1CC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000898014502 619205628 /nfs/dbraw/zinc/20/56/28/619205628.db2.gz CVKRPTPUFAGTRZ-DJANBRAMSA-N 2 1 314.473 3.105 20 0 DGADMP OCCC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000898014502 619205630 /nfs/dbraw/zinc/20/56/30/619205630.db2.gz CVKRPTPUFAGTRZ-DJANBRAMSA-N 2 1 314.473 3.105 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000927120354 619268812 /nfs/dbraw/zinc/26/88/12/619268812.db2.gz OLKRKIAGPRVJHF-SNRMKQJTSA-N 2 1 302.462 3.010 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC000898522294 619283923 /nfs/dbraw/zinc/28/39/23/619283923.db2.gz MCDAKIYYARUBLS-HKBOAZHASA-N 2 1 321.468 3.472 20 0 DGADMP Cc1c[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898520236 619284172 /nfs/dbraw/zinc/28/41/72/619284172.db2.gz WJPBDUKVPXANHB-CEXWTWQISA-N 2 1 324.472 3.108 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318152 619614406 /nfs/dbraw/zinc/61/44/06/619614406.db2.gz NOQNATJIRLZRFP-SFHVURJKSA-N 3 1 303.494 3.006 20 0 DGADMP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318152 619614407 /nfs/dbraw/zinc/61/44/07/619614407.db2.gz NOQNATJIRLZRFP-SFHVURJKSA-N 2 1 303.494 3.006 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318152 619614408 /nfs/dbraw/zinc/61/44/08/619614408.db2.gz NOQNATJIRLZRFP-SFHVURJKSA-N 2 1 303.494 3.006 20 0 DGADMP CCc1cc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)[nH]n1 ZINC000902317619 619618388 /nfs/dbraw/zinc/61/83/88/619618388.db2.gz DBHKJPJNLKLXNH-QGZVFWFLSA-N 2 1 322.403 3.210 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000902332862 619622186 /nfs/dbraw/zinc/62/21/86/619622186.db2.gz GOARCLPCYYLYJD-IBGZPJMESA-N 2 1 315.505 3.150 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000902331877 619622274 /nfs/dbraw/zinc/62/22/74/619622274.db2.gz BTODIIXNZKRCHY-QGZVFWFLSA-N 3 1 307.526 3.151 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000902359194 619627089 /nfs/dbraw/zinc/62/70/89/619627089.db2.gz FXBCJQAEAZHNID-SJORKVTESA-N 2 1 319.493 3.174 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000902400896 619631837 /nfs/dbraw/zinc/63/18/37/619631837.db2.gz XMHDFRSGUNEYEP-IRXDYDNUSA-N 2 1 324.472 3.227 20 0 DGADMP CCNc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000902621351 619659312 /nfs/dbraw/zinc/65/93/12/619659312.db2.gz GFMRKRKEQGSLET-QGZVFWFLSA-N 2 1 301.478 3.330 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902736973 619667880 /nfs/dbraw/zinc/66/78/80/619667880.db2.gz ZEPMKOGADAZRQX-INIZCTEOSA-N 2 1 300.450 3.253 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902747980 619669973 /nfs/dbraw/zinc/66/99/73/619669973.db2.gz JQBGVGFDYAJUED-LOXVXLSQSA-N 2 1 306.494 3.044 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761586 619671797 /nfs/dbraw/zinc/67/17/97/619671797.db2.gz SYMQTSFWQYOFTQ-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC000902761586 619671799 /nfs/dbraw/zinc/67/17/99/619671799.db2.gz SYMQTSFWQYOFTQ-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902790192 619677039 /nfs/dbraw/zinc/67/70/39/619677039.db2.gz NDAIFRHBKQFBQJ-QAPCUYQASA-N 2 1 307.482 3.259 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000902797084 619678053 /nfs/dbraw/zinc/67/80/53/619678053.db2.gz TUZKRWXKWSNPKR-KHYOSLBOSA-N 2 1 302.462 3.250 20 0 DGADMP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903057350 619707379 /nfs/dbraw/zinc/70/73/79/619707379.db2.gz FGJMWWPPIQFEJV-XGSMCBPESA-N 2 1 313.489 3.260 20 0 DGADMP CCOCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061998 619708603 /nfs/dbraw/zinc/70/86/03/619708603.db2.gz MHOCWNXKMSJSST-CTXDPNEZSA-N 2 1 314.473 3.471 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903075727 619711634 /nfs/dbraw/zinc/71/16/34/619711634.db2.gz CHKFWUVXCUNIAB-YKYKTHHOSA-N 2 1 319.537 3.100 20 0 DGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903075727 619711636 /nfs/dbraw/zinc/71/16/36/619711636.db2.gz CHKFWUVXCUNIAB-YKYKTHHOSA-N 2 1 319.537 3.100 20 0 DGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075727 619711637 /nfs/dbraw/zinc/71/16/37/619711637.db2.gz CHKFWUVXCUNIAB-YKYKTHHOSA-N 2 1 319.537 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903080904 619712627 /nfs/dbraw/zinc/71/26/27/619712627.db2.gz IXHZMHBWTBIPBX-JLYLLQBASA-N 2 1 314.473 3.430 20 0 DGADMP Cc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903082829 619713037 /nfs/dbraw/zinc/71/30/37/619713037.db2.gz WMVYPRHCXZUXTE-ZNXRZULTSA-N 2 1 300.446 3.121 20 0 DGADMP Fc1cc(F)cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903087094 619713855 /nfs/dbraw/zinc/71/38/55/619713855.db2.gz SHKWEDJAVBJVQA-ZNXRZULTSA-N 2 1 306.400 3.255 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903073347 619715507 /nfs/dbraw/zinc/71/55/07/619715507.db2.gz ONSUSKRQWIPYIL-NPZYAJIESA-N 2 1 319.537 3.102 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903073347 619715509 /nfs/dbraw/zinc/71/55/09/619715509.db2.gz ONSUSKRQWIPYIL-NPZYAJIESA-N 3 1 319.537 3.102 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903073347 619715511 /nfs/dbraw/zinc/71/55/11/619715511.db2.gz ONSUSKRQWIPYIL-NPZYAJIESA-N 3 1 319.537 3.102 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903092954 619718674 /nfs/dbraw/zinc/71/86/74/619718674.db2.gz NMSOUVLWLJZYRY-DNVCBOLYSA-N 2 1 320.452 3.225 20 0 DGADMP CC(C)(C)OC(=O)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903131913 619722229 /nfs/dbraw/zinc/72/22/29/619722229.db2.gz LFSIEYFXLXAKOU-ZXFUBFMLSA-N 2 1 322.493 3.246 20 0 DGADMP COc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)c1 ZINC000903139921 619724655 /nfs/dbraw/zinc/72/46/55/619724655.db2.gz WJQVDEAOZHFCLP-ZNXRZULTSA-N 2 1 312.457 3.432 20 0 DGADMP COc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)c1 ZINC000903139921 619724656 /nfs/dbraw/zinc/72/46/56/619724656.db2.gz WJQVDEAOZHFCLP-ZNXRZULTSA-N 2 1 312.457 3.432 20 0 DGADMP COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000903153375 619725834 /nfs/dbraw/zinc/72/58/34/619725834.db2.gz RRVRQLIRSDEWRE-OAHLLOKOSA-N 2 1 319.836 3.292 20 0 DGADMP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC(C)CC1 ZINC000903165543 619728336 /nfs/dbraw/zinc/72/83/36/619728336.db2.gz QNCBDGITGIBZBI-JTEKQCGQSA-N 2 1 306.494 3.329 20 0 DGADMP C[C@@H]1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H](C)O1 ZINC000903165626 619728479 /nfs/dbraw/zinc/72/84/79/619728479.db2.gz MRZXEFQTRKJAJT-PNETYNOFSA-N 2 1 306.494 3.328 20 0 DGADMP COc1ccc(F)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903221201 619741436 /nfs/dbraw/zinc/74/14/36/619741436.db2.gz QSSMPDZHGUIPAM-ZNXRZULTSA-N 2 1 318.436 3.124 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265418 619744660 /nfs/dbraw/zinc/74/46/60/619744660.db2.gz ZFYPBLBUKLGNNL-QLIIJSOBSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265418 619744662 /nfs/dbraw/zinc/74/46/62/619744662.db2.gz ZFYPBLBUKLGNNL-QLIIJSOBSA-N 2 1 314.473 3.054 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431620 619774748 /nfs/dbraw/zinc/77/47/48/619774748.db2.gz SHSVMXCIEDVBAH-OLZOCXBDSA-N 2 1 302.340 3.144 20 0 DGADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903436731 619775115 /nfs/dbraw/zinc/77/51/15/619775115.db2.gz AVAVTGUKYYKKKA-HIFRSBDPSA-N 2 1 323.868 3.118 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903445926 619777746 /nfs/dbraw/zinc/77/77/46/619777746.db2.gz OEZSMIURPPHLGT-SLUKUZTOSA-N 2 1 306.400 3.380 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)O2)cc1 ZINC000903482010 619780794 /nfs/dbraw/zinc/78/07/94/619780794.db2.gz ULEIEPZXMPSSNF-FGTMMUONSA-N 2 1 300.446 3.171 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c(C)nn1 ZINC000903482556 619781147 /nfs/dbraw/zinc/78/11/47/619781147.db2.gz KRWONJIGDXERAU-QFBILLFUSA-N 2 1 316.493 3.213 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482454 619781215 /nfs/dbraw/zinc/78/12/15/619781215.db2.gz IJOCSYOGDQFJDI-VYDXJSESSA-N 2 1 320.502 3.031 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499682 619781507 /nfs/dbraw/zinc/78/15/07/619781507.db2.gz LSOYKEBIBNOTOH-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)C[C@H]1CC[NH3+] ZINC000903496544 619782385 /nfs/dbraw/zinc/78/23/85/619782385.db2.gz RPNNMLKUJCKEGA-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000903566708 619783729 /nfs/dbraw/zinc/78/37/29/619783729.db2.gz YUOKTVRPZJYBEI-UKRRQHHQSA-N 2 1 314.433 3.032 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccn1 ZINC000903575177 619784450 /nfs/dbraw/zinc/78/44/50/619784450.db2.gz GQUOFTXZFKGROY-UHFFFAOYSA-N 2 1 309.457 3.386 20 0 DGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718916 619803259 /nfs/dbraw/zinc/80/32/59/619803259.db2.gz TUPJNLHYJVFJBC-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722461 619803842 /nfs/dbraw/zinc/80/38/42/619803842.db2.gz BCXWJKYOKMXFML-FHLIZLRMSA-N 2 1 320.864 3.246 20 0 DGADMP C[N@H+](Cc1csc2ccccc12)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723207 619804425 /nfs/dbraw/zinc/80/44/25/619804425.db2.gz FSKTWCQXGFLIGA-CRAIPNDOSA-N 2 1 316.470 3.102 20 0 DGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724945 619804855 /nfs/dbraw/zinc/80/48/55/619804855.db2.gz SVOUIRUIFRKVIZ-SFHVURJKSA-N 2 1 320.452 3.196 20 0 DGADMP Clc1ccc(C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725101 619805093 /nfs/dbraw/zinc/80/50/93/619805093.db2.gz WRDMMHYCZPMOOQ-ROUUACIJSA-N 2 1 320.864 3.073 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2CF)CC[C@@H]1C(F)(F)F ZINC000903769652 619810185 /nfs/dbraw/zinc/81/01/85/619810185.db2.gz LLSGDVAUTDGUTH-KBPBESRZSA-N 2 1 304.331 3.115 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2CF)CC[C@@H]1C(F)(F)F ZINC000903769652 619810186 /nfs/dbraw/zinc/81/01/86/619810186.db2.gz LLSGDVAUTDGUTH-KBPBESRZSA-N 2 1 304.331 3.115 20 0 DGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766941 619810306 /nfs/dbraw/zinc/81/03/06/619810306.db2.gz DGJOIQZQVGSWHF-WSTZPKSXSA-N 2 1 314.473 3.209 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1)CC1CC1 ZINC000903756676 619810581 /nfs/dbraw/zinc/81/05/81/619810581.db2.gz VPPRMVQHZCOVEK-HXUWFJFHSA-N 3 1 321.553 3.210 20 0 DGADMP CO[C@H](C)c1nc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cs1 ZINC000903790358 619810996 /nfs/dbraw/zinc/81/09/96/619810996.db2.gz DIZYIXJWQCGRPX-GFCCVEGCSA-N 2 1 311.495 3.047 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777464 619812348 /nfs/dbraw/zinc/81/23/48/619812348.db2.gz BJZXTTCBXKHMOQ-RRQGHBQHSA-N 2 1 308.853 3.101 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@H](C(F)(F)F)O2)CCC1 ZINC000903811045 619817563 /nfs/dbraw/zinc/81/75/63/619817563.db2.gz JBFXCXBFSSJLSI-HZSPNIEDSA-N 2 1 320.399 3.080 20 0 DGADMP COc1cc(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1SC ZINC000903822087 619819384 /nfs/dbraw/zinc/81/93/84/619819384.db2.gz WFVMAXGPJCZMDW-CRAIPNDOSA-N 2 1 314.454 3.131 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903831945 619821095 /nfs/dbraw/zinc/82/10/95/619821095.db2.gz OTLPKIZMHPFGFU-UHFFFAOYSA-N 2 1 312.461 3.288 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1cccc3ccccc31)C2 ZINC000903845580 619822976 /nfs/dbraw/zinc/82/29/76/619822976.db2.gz JEJXDOWANZLHBG-JQHSSLGASA-N 2 1 310.441 3.420 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903887321 619825670 /nfs/dbraw/zinc/82/56/70/619825670.db2.gz YOCIZALAUHTXFV-DQXYTYHJSA-N 2 1 302.437 3.363 20 0 DGADMP C[N@H+](Cc1ccc(Br)o1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903879893 619827752 /nfs/dbraw/zinc/82/77/52/619827752.db2.gz LNUOISDWUHVAMF-YOGCLGLASA-N 2 1 313.239 3.005 20 0 DGADMP C[N@H+](Cc1nc2ccccc2s1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877794 619827810 /nfs/dbraw/zinc/82/78/10/619827810.db2.gz QIOPJLOXGAZTDW-AGUYFDCRSA-N 2 1 301.459 3.259 20 0 DGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000903892720 619829547 /nfs/dbraw/zinc/82/95/47/619829547.db2.gz MDDJQVYYFVARSX-HUORLRHWSA-N 2 1 305.491 3.291 20 0 DGADMP C[N@@H+](Cc1nc(C(F)(F)F)cs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898554 619830524 /nfs/dbraw/zinc/83/05/24/619830524.db2.gz PDXBTRSPZFKMMY-FGWVZKOKSA-N 2 1 319.396 3.124 20 0 DGADMP C[N@H+](Cc1nc(C(F)(F)F)cs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898554 619830527 /nfs/dbraw/zinc/83/05/27/619830527.db2.gz PDXBTRSPZFKMMY-FGWVZKOKSA-N 2 1 319.396 3.124 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899137 619830575 /nfs/dbraw/zinc/83/05/75/619830575.db2.gz SJEAPDNZSQOAPL-WTXIUTQJSA-N 2 1 320.864 3.324 20 0 DGADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CCC(C)C)cnn1C ZINC000903900007 619830774 /nfs/dbraw/zinc/83/07/74/619830774.db2.gz XWWDZBCWFFBXIR-HKUYNNGSSA-N 2 1 320.525 3.137 20 0 DGADMP COc1ccccc1/C=C\C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959771 619839557 /nfs/dbraw/zinc/83/95/57/619839557.db2.gz OAERWCKOABSCMZ-QJSCKGPTSA-N 2 1 300.446 3.174 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959771 619839558 /nfs/dbraw/zinc/83/95/58/619839558.db2.gz OAERWCKOABSCMZ-QJSCKGPTSA-N 2 1 300.446 3.174 20 0 DGADMP CC[C@@H](C[N@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903941649 619841627 /nfs/dbraw/zinc/84/16/27/619841627.db2.gz AUDAIWTVZFZMAZ-ZDUSSCGKSA-N 2 1 301.459 3.154 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954919 619846110 /nfs/dbraw/zinc/84/61/10/619846110.db2.gz INXSEMWSIBOTQM-GFCCVEGCSA-N 2 1 308.294 3.040 20 0 DGADMP FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955056 619846635 /nfs/dbraw/zinc/84/66/35/619846635.db2.gz JQBQRSHOXYMWOR-NSHDSACASA-N 2 1 308.294 3.040 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000903968675 619849822 /nfs/dbraw/zinc/84/98/22/619849822.db2.gz YHMBJSUPMSTNIL-SFYZADRCSA-N 2 1 323.687 3.109 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000904313181 619912330 /nfs/dbraw/zinc/91/23/30/619912330.db2.gz SIGFZJAQDQIPED-BYCMXARLSA-N 2 1 309.251 3.323 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OC ZINC000904406343 619919956 /nfs/dbraw/zinc/91/99/56/619919956.db2.gz QHMAEDBZTDEHNE-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OC ZINC000904406342 619919966 /nfs/dbraw/zinc/91/99/66/619919966.db2.gz QHMAEDBZTDEHNE-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1C[NH3+] ZINC000904411446 619920673 /nfs/dbraw/zinc/92/06/73/619920673.db2.gz NGNIVOUNZAGAQB-GJZGRUSLSA-N 2 1 321.896 3.357 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1C[NH3+] ZINC000904412426 619920837 /nfs/dbraw/zinc/92/08/37/619920837.db2.gz VRDZGUVKAIMAKT-PBHICJAKSA-N 2 1 313.420 3.304 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC ZINC000904412089 619920961 /nfs/dbraw/zinc/92/09/61/619920961.db2.gz PSUGASVBTIMIPG-ZOBUZTSGSA-N 2 1 320.477 3.289 20 0 DGADMP CC(C)(C[NH3+])C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000904443389 619923227 /nfs/dbraw/zinc/92/32/27/619923227.db2.gz IDYWRNLUARYRDR-UHFFFAOYSA-N 2 1 300.368 3.301 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)cc2ccccc21 ZINC000904471336 619924665 /nfs/dbraw/zinc/92/46/65/619924665.db2.gz HMHWUEVOOZMXHR-BXUZGUMPSA-N 2 1 308.372 3.482 20 0 DGADMP Cc1cccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000905047981 619966537 /nfs/dbraw/zinc/96/65/37/619966537.db2.gz WDORFGZHXMYLKZ-MJGOQNOKSA-N 2 1 304.478 3.130 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000905064509 619969834 /nfs/dbraw/zinc/96/98/34/619969834.db2.gz AWGHUZJSFVWSBD-KRWDZBQOSA-N 2 1 316.445 3.176 20 0 DGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc(C[NH2+]C)nc2)cc1 ZINC000906159765 620061686 /nfs/dbraw/zinc/06/16/86/620061686.db2.gz UGPXPSFVXGUVAE-GOSISDBHSA-N 2 1 310.445 3.237 20 0 DGADMP Fc1cccc([C@H]2C[C@H]2[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000906588535 620106292 /nfs/dbraw/zinc/10/62/92/620106292.db2.gz HEYGVDDNPPYGSR-RTBURBONSA-N 2 1 311.404 3.289 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C[C@H](O)CN2CCCC2)C2CC2)cc1 ZINC000908497910 620207715 /nfs/dbraw/zinc/20/77/15/620207715.db2.gz YUHFCCGNBXJJGU-HXUWFJFHSA-N 2 1 316.489 3.231 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852567171 620630448 /nfs/dbraw/zinc/63/04/48/620630448.db2.gz QPHKJNSXMXLYBQ-IEBWSBKVSA-N 2 1 312.461 3.368 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921531016 620903530 /nfs/dbraw/zinc/90/35/30/620903530.db2.gz AUGRQFXUYUFZHA-FCGDIQPGSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921538354 620904450 /nfs/dbraw/zinc/90/44/50/620904450.db2.gz WHDYONKQRBMYFS-HOTGVXAUSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921536822 620904525 /nfs/dbraw/zinc/90/45/25/620904525.db2.gz RUAUTRIXDDBFCD-NCXUSEDFSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1cnn(CC2CCC2)c1)C(C)C ZINC000921805255 620952429 /nfs/dbraw/zinc/95/24/29/620952429.db2.gz FWIORYUHDXWIJK-UHFFFAOYSA-N 2 1 306.498 3.282 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921916124 620968095 /nfs/dbraw/zinc/96/80/95/620968095.db2.gz ZRPLYJMEUYXTRK-GOSISDBHSA-N 2 1 318.509 3.141 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921916124 620968098 /nfs/dbraw/zinc/96/80/98/620968098.db2.gz ZRPLYJMEUYXTRK-GOSISDBHSA-N 2 1 318.509 3.141 20 0 DGADMP CC[C@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856551801 621004452 /nfs/dbraw/zinc/00/44/52/621004452.db2.gz ZVTJJMCXOGJGNT-YJBOKZPZSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551801 621004455 /nfs/dbraw/zinc/00/44/55/621004455.db2.gz ZVTJJMCXOGJGNT-YJBOKZPZSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551801 621004459 /nfs/dbraw/zinc/00/44/59/621004459.db2.gz ZVTJJMCXOGJGNT-YJBOKZPZSA-N 2 1 305.466 3.033 20 0 DGADMP CC(C)CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561643 621005221 /nfs/dbraw/zinc/00/52/21/621005221.db2.gz WLQIUHZGDPBMOE-LJQANCHMSA-N 2 1 319.493 3.421 20 0 DGADMP CC(C)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561643 621005225 /nfs/dbraw/zinc/00/52/25/621005225.db2.gz WLQIUHZGDPBMOE-LJQANCHMSA-N 2 1 319.493 3.421 20 0 DGADMP CC(C)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856561643 621005227 /nfs/dbraw/zinc/00/52/27/621005227.db2.gz WLQIUHZGDPBMOE-LJQANCHMSA-N 2 1 319.493 3.421 20 0 DGADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\Cl)C2)ccn1 ZINC000856597209 621007665 /nfs/dbraw/zinc/00/76/65/621007665.db2.gz FRFQGAYTKCPKNI-IMXKFXGHSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\Cl)C2)ccn1 ZINC000856597209 621007670 /nfs/dbraw/zinc/00/76/70/621007670.db2.gz FRFQGAYTKCPKNI-IMXKFXGHSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C\Cl)C2)ccn1 ZINC000856597209 621007673 /nfs/dbraw/zinc/00/76/73/621007673.db2.gz FRFQGAYTKCPKNI-IMXKFXGHSA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C\Cl)C2)ccn1 ZINC000856597209 621007678 /nfs/dbraw/zinc/00/76/78/621007678.db2.gz FRFQGAYTKCPKNI-IMXKFXGHSA-N 2 1 323.868 3.127 20 0 DGADMP CC/C=C/CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856586946 621007789 /nfs/dbraw/zinc/00/77/89/621007789.db2.gz VHEWTNKINRRBOD-OVKVCFKUSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C/CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856586946 621007792 /nfs/dbraw/zinc/00/77/92/621007792.db2.gz VHEWTNKINRRBOD-OVKVCFKUSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C/CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856586946 621007795 /nfs/dbraw/zinc/00/77/95/621007795.db2.gz VHEWTNKINRRBOD-OVKVCFKUSA-N 2 1 317.477 3.343 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000922274040 621015961 /nfs/dbraw/zinc/01/59/61/621015961.db2.gz QRWFLLWYGHOLMR-UHFFFAOYSA-N 2 1 321.424 3.331 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856765432 621017179 /nfs/dbraw/zinc/01/71/79/621017179.db2.gz ZNGICUIZYGQPBO-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CCCCC3)C2)[C@@H]1C(C)C ZINC000922391812 621033226 /nfs/dbraw/zinc/03/32/26/621033226.db2.gz HIFCZNMPPGVNQP-YRXWBPOGSA-N 2 1 308.510 3.026 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CCCC1 ZINC000857909773 621130489 /nfs/dbraw/zinc/13/04/89/621130489.db2.gz BARLXICBTJPNOA-AWEZNQCLSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1(C)C ZINC000858148796 621158878 /nfs/dbraw/zinc/15/88/78/621158878.db2.gz LKNILMHNPOCNEZ-ADKAHSJRSA-N 3 1 307.526 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1(C)C ZINC000858148796 621158880 /nfs/dbraw/zinc/15/88/80/621158880.db2.gz LKNILMHNPOCNEZ-ADKAHSJRSA-N 2 1 307.526 3.246 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307500 621173543 /nfs/dbraw/zinc/17/35/43/621173543.db2.gz XGZTYDRCZOBMRR-DYVFJYSZSA-N 2 1 320.864 3.244 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cnn(-c2ccccc2)c1 ZINC000923301291 621173615 /nfs/dbraw/zinc/17/36/15/621173615.db2.gz GNOCBPZXCMTAMU-JLYLLQBASA-N 2 1 324.472 3.225 20 0 DGADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000923336572 621176916 /nfs/dbraw/zinc/17/69/16/621176916.db2.gz WJBVLRFZDHGJAA-DOMZBBRYSA-N 2 1 317.260 3.101 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CC4CCC3CC4)C2)C1 ZINC000923388339 621180718 /nfs/dbraw/zinc/18/07/18/621180718.db2.gz OLUHESGPOGVNLU-BLUBZBIGSA-N 2 1 306.494 3.031 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2CC3CCC2CC3)C1 ZINC000923392837 621181757 /nfs/dbraw/zinc/18/17/57/621181757.db2.gz LDJNPZYJLBPMRH-HEPMNBHFSA-N 2 1 306.494 3.174 20 0 DGADMP CCCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1ccc(C)o1 ZINC000923429238 621183598 /nfs/dbraw/zinc/18/35/98/621183598.db2.gz XWPVZEIBAWBMNO-HOTGVXAUSA-N 2 1 306.450 3.130 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000923484442 621187360 /nfs/dbraw/zinc/18/73/60/621187360.db2.gz ZOXSDCJWRZOCTD-LBPRGKRZSA-N 2 1 305.422 3.120 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000923484195 621187664 /nfs/dbraw/zinc/18/76/64/621187664.db2.gz HLLLSDIJZQJAIF-ZDUSSCGKSA-N 2 1 302.447 3.057 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000923488078 621187906 /nfs/dbraw/zinc/18/79/06/621187906.db2.gz PPDIVFDIMJXEMB-GOSISDBHSA-N 2 1 324.468 3.463 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@@H]1C[NH3+] ZINC000923502744 621188476 /nfs/dbraw/zinc/18/84/76/621188476.db2.gz YZJLRRRTRZFLHI-QWHCGFSZSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923496900 621188569 /nfs/dbraw/zinc/18/85/69/621188569.db2.gz KDYLJGYCSGJAAK-DGCLKSJQSA-N 2 1 300.418 3.418 20 0 DGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498915 621188858 /nfs/dbraw/zinc/18/88/58/621188858.db2.gz QTSOZHDIHTZQPY-JHJVBQTASA-N 2 1 311.267 3.427 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923500895 621189174 /nfs/dbraw/zinc/18/91/74/621189174.db2.gz RNIYKPLCUQZYMO-WCQYABFASA-N 2 1 302.340 3.002 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H]1C[NH3+] ZINC000923503880 621189425 /nfs/dbraw/zinc/18/94/25/621189425.db2.gz MFYFUPYZQKRKFC-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP COCc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000858490335 621197787 /nfs/dbraw/zinc/19/77/87/621197787.db2.gz GOWBPTMURPEXSY-HOTGVXAUSA-N 2 1 320.477 3.224 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000859214142 621261054 /nfs/dbraw/zinc/26/10/54/621261054.db2.gz MOTJDGAOUKKMGF-IBGZPJMESA-N 2 1 316.420 3.053 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2nonc2c1 ZINC000859996522 621353500 /nfs/dbraw/zinc/35/35/00/621353500.db2.gz CVDCIJOBWHPSCY-UHFFFAOYSA-N 2 1 324.428 3.307 20 0 DGADMP C(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CCC[NH+]1CCCC1 ZINC000754795703 621533250 /nfs/dbraw/zinc/53/32/50/621533250.db2.gz ONGMYWAEDAVFEB-RTBURBONSA-N 3 1 307.526 3.249 20 0 DGADMP CC[NH+](CC)CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000755043351 621548366 /nfs/dbraw/zinc/54/83/66/621548366.db2.gz YBGYJCGKPXQDHN-GOSISDBHSA-N 2 1 308.441 3.055 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000755043351 621548368 /nfs/dbraw/zinc/54/83/68/621548368.db2.gz YBGYJCGKPXQDHN-GOSISDBHSA-N 2 1 308.441 3.055 20 0 DGADMP Cc1c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccnc1F ZINC000862308555 621573550 /nfs/dbraw/zinc/57/35/50/621573550.db2.gz FPODFDOWVHAWQS-HOCLYGCPSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccnc1F ZINC000862308555 621573552 /nfs/dbraw/zinc/57/35/52/621573552.db2.gz FPODFDOWVHAWQS-HOCLYGCPSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccnc1F ZINC000862308554 621573733 /nfs/dbraw/zinc/57/37/33/621573733.db2.gz FPODFDOWVHAWQS-GOEBONIOSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccnc1F ZINC000862308554 621573735 /nfs/dbraw/zinc/57/37/35/621573735.db2.gz FPODFDOWVHAWQS-GOEBONIOSA-N 2 1 305.441 3.272 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863483261 621677399 /nfs/dbraw/zinc/67/73/99/621677399.db2.gz TXRKQDKUWVYJKJ-IUODEOHRSA-N 2 1 323.278 3.254 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865414551 621915186 /nfs/dbraw/zinc/91/51/86/621915186.db2.gz AJFCKZZWPDRPLC-IYBDPMFKSA-N 2 1 304.482 3.066 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865431306 621919650 /nfs/dbraw/zinc/91/96/50/621919650.db2.gz BYOOQCUPMFAVMP-UHFFFAOYSA-N 2 1 320.477 3.064 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000865475631 621929579 /nfs/dbraw/zinc/92/95/79/621929579.db2.gz OBBQYKZUEPJCGH-UHFFFAOYSA-N 2 1 305.397 3.299 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000865698328 621979998 /nfs/dbraw/zinc/97/99/98/621979998.db2.gz MOLQEVBMMHBPKH-UHFFFAOYSA-N 2 1 305.466 3.364 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000865826263 622002340 /nfs/dbraw/zinc/00/23/40/622002340.db2.gz OFFVMOMGKMCGLD-LBPRGKRZSA-N 2 1 313.367 3.411 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000865826263 622002343 /nfs/dbraw/zinc/00/23/43/622002343.db2.gz OFFVMOMGKMCGLD-LBPRGKRZSA-N 2 1 313.367 3.411 20 0 DGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@H]21 ZINC000866206335 622065884 /nfs/dbraw/zinc/06/58/84/622065884.db2.gz KEFUCLJOUNMDFD-MLGOLLRUSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)CC[C@H]21 ZINC000866206335 622065887 /nfs/dbraw/zinc/06/58/87/622065887.db2.gz KEFUCLJOUNMDFD-MLGOLLRUSA-N 2 1 301.821 3.419 20 0 DGADMP COc1cccc2c(N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204855 622066419 /nfs/dbraw/zinc/06/64/19/622066419.db2.gz GZSMHTSQAZWSIX-ZBFHGGJFSA-N 2 1 311.429 3.082 20 0 DGADMP COc1cccc2c(N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204855 622066421 /nfs/dbraw/zinc/06/64/21/622066421.db2.gz GZSMHTSQAZWSIX-ZBFHGGJFSA-N 2 1 311.429 3.082 20 0 DGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@@H]21 ZINC000866207972 622066834 /nfs/dbraw/zinc/06/68/34/622066834.db2.gz ZBLIJBDMKMEXFS-WBMJQRKESA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@@H]21 ZINC000866207972 622066836 /nfs/dbraw/zinc/06/68/36/622066836.db2.gz ZBLIJBDMKMEXFS-WBMJQRKESA-N 2 1 301.821 3.419 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000866262945 622079294 /nfs/dbraw/zinc/07/92/94/622079294.db2.gz JDRALCIXYMHQEH-IAGOWNOFSA-N 2 1 311.473 3.487 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866392364 622109784 /nfs/dbraw/zinc/10/97/84/622109784.db2.gz AUESAQSXIGLZFT-APWZRJJASA-N 2 1 301.478 3.114 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562229 622138426 /nfs/dbraw/zinc/13/84/26/622138426.db2.gz QFWLYYMGERNXCJ-FUHWJXTLSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866562229 622138428 /nfs/dbraw/zinc/13/84/28/622138428.db2.gz QFWLYYMGERNXCJ-FUHWJXTLSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866588960 622143034 /nfs/dbraw/zinc/14/30/34/622143034.db2.gz CGOFODDPVMSVDO-OAHLLOKOSA-N 2 1 321.896 3.113 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC2OCCCO2)CC1 ZINC000763430252 622145618 /nfs/dbraw/zinc/14/56/18/622145618.db2.gz CBFIWHMPXBRPDZ-QGZVFWFLSA-N 2 1 324.509 3.116 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000866659521 622153875 /nfs/dbraw/zinc/15/38/75/622153875.db2.gz MSHUNUGQSXOOFX-QWHCGFSZSA-N 2 1 323.868 3.035 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)oc21 ZINC000763616927 622155432 /nfs/dbraw/zinc/15/54/32/622155432.db2.gz TZIYNPAHPMIGDJ-OAHLLOKOSA-N 2 1 302.418 3.358 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)oc21 ZINC000763616927 622155435 /nfs/dbraw/zinc/15/54/35/622155435.db2.gz TZIYNPAHPMIGDJ-OAHLLOKOSA-N 2 1 302.418 3.358 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000866697333 622157819 /nfs/dbraw/zinc/15/78/19/622157819.db2.gz MUCGSWJXATYRBP-LJQANCHMSA-N 2 1 314.473 3.256 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000866705461 622158770 /nfs/dbraw/zinc/15/87/70/622158770.db2.gz AINXDHRYURJIQS-QGZVFWFLSA-N 2 1 312.404 3.485 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000866718110 622159500 /nfs/dbraw/zinc/15/95/00/622159500.db2.gz WWSZLKBRGOIPKO-KRWDZBQOSA-N 2 1 302.462 3.264 20 0 DGADMP CC[C@H](C[NH2+][C@H](C)CCc1ccc(OC)cc1)[NH+]1CCCC1 ZINC000764869901 622228281 /nfs/dbraw/zinc/22/82/81/622228281.db2.gz ODUKQNACBCJMHY-SJLPKXTDSA-N 2 1 304.478 3.480 20 0 DGADMP CC[C@H](C[NH2+][C@@H](C)CCc1ccc(OC)cc1)[NH+]1CCCC1 ZINC000764869881 622228407 /nfs/dbraw/zinc/22/84/07/622228407.db2.gz ODUKQNACBCJMHY-FUHWJXTLSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000765141102 622248982 /nfs/dbraw/zinc/24/89/82/622248982.db2.gz JSAHYSOVZPMLLE-MRXNPFEDSA-N 2 1 324.472 3.397 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292719 622257317 /nfs/dbraw/zinc/25/73/17/622257317.db2.gz XAMKVWXFLXMKRC-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292719 622257320 /nfs/dbraw/zinc/25/73/20/622257320.db2.gz XAMKVWXFLXMKRC-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000765546584 622272496 /nfs/dbraw/zinc/27/24/96/622272496.db2.gz RJUQLADQIBOVSF-RDTXWAMCSA-N 2 1 311.429 3.164 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(-c2ccccc2)c1 ZINC000766478823 622333051 /nfs/dbraw/zinc/33/30/51/622333051.db2.gz KZUHFCWPUUBDTN-WDYCEAGBSA-N 2 1 312.461 3.396 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cn1 ZINC000767354997 622392678 /nfs/dbraw/zinc/39/26/78/622392678.db2.gz OKVCYRSKECZZNZ-RTBURBONSA-N 2 1 318.424 3.469 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000769396354 622524086 /nfs/dbraw/zinc/52/40/86/622524086.db2.gz ZSIZOPJMVGZXCR-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000769516995 622537534 /nfs/dbraw/zinc/53/75/34/622537534.db2.gz XWTCBTBLVYRUSA-UHFFFAOYSA-N 2 1 322.493 3.467 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1COC2 ZINC000770372634 622626048 /nfs/dbraw/zinc/62/60/48/622626048.db2.gz DKIWQZJQNALQQK-OXJNMPFZSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372634 622626052 /nfs/dbraw/zinc/62/60/52/622626052.db2.gz DKIWQZJQNALQQK-OXJNMPFZSA-N 2 1 312.457 3.166 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1COC2 ZINC000770372634 622626058 /nfs/dbraw/zinc/62/60/58/622626058.db2.gz DKIWQZJQNALQQK-OXJNMPFZSA-N 2 1 312.457 3.166 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2S1 ZINC000872029289 622762064 /nfs/dbraw/zinc/76/20/64/622762064.db2.gz VWNRDGHFUGKILF-ZBFHGGJFSA-N 2 1 320.502 3.048 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586013 622778165 /nfs/dbraw/zinc/77/81/65/622778165.db2.gz JCRODRXTZSPADQ-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586013 622778170 /nfs/dbraw/zinc/77/81/70/622778170.db2.gz JCRODRXTZSPADQ-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586013 622778175 /nfs/dbraw/zinc/77/81/75/622778175.db2.gz JCRODRXTZSPADQ-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000771586013 622778178 /nfs/dbraw/zinc/77/81/78/622778178.db2.gz JCRODRXTZSPADQ-JQFCIGGWSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586011 622778422 /nfs/dbraw/zinc/77/84/22/622778422.db2.gz JCRODRXTZSPADQ-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586011 622778424 /nfs/dbraw/zinc/77/84/24/622778424.db2.gz JCRODRXTZSPADQ-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586011 622778427 /nfs/dbraw/zinc/77/84/27/622778427.db2.gz JCRODRXTZSPADQ-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586011 622778431 /nfs/dbraw/zinc/77/84/31/622778431.db2.gz JCRODRXTZSPADQ-COXVUDFISA-N 2 1 310.869 3.178 20 0 DGADMP FC(F)(F)c1coc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000872143361 622832227 /nfs/dbraw/zinc/83/22/27/622832227.db2.gz PULBIDKRNWQTTJ-AWEZNQCLSA-N 2 1 302.340 3.262 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)C[C@@H]1C(F)(F)F ZINC000872149173 622833197 /nfs/dbraw/zinc/83/31/97/622833197.db2.gz MNYONAGWACRUTR-LJWDBELGSA-N 2 1 318.770 3.396 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)C[C@@H]1C(F)(F)F ZINC000872149173 622833201 /nfs/dbraw/zinc/83/32/01/622833201.db2.gz MNYONAGWACRUTR-LJWDBELGSA-N 2 1 318.770 3.396 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872149583 622833857 /nfs/dbraw/zinc/83/38/57/622833857.db2.gz OSXIHEFHKKETBC-ZFWWWQNUSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872149583 622833865 /nfs/dbraw/zinc/83/38/65/622833865.db2.gz OSXIHEFHKKETBC-ZFWWWQNUSA-N 2 1 316.367 3.043 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156271 622836100 /nfs/dbraw/zinc/83/61/00/622836100.db2.gz HELWEADPBNXEDC-VQIMIIECSA-N 2 1 301.478 3.388 20 0 DGADMP CCc1nocc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156001 622836498 /nfs/dbraw/zinc/83/64/98/622836498.db2.gz CHCUKLNQDNCZFS-PBHICJAKSA-N 2 1 305.466 3.357 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)CCCCCC[NH3+])c2cc1C ZINC000872155538 622837020 /nfs/dbraw/zinc/83/70/20/622837020.db2.gz PDMMAUDFZKWRCR-UHFFFAOYSA-N 2 1 316.445 3.361 20 0 DGADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156282 622837043 /nfs/dbraw/zinc/83/70/43/622837043.db2.gz HHIJXJBNWCFJBL-LZWOXQAQSA-N 2 1 320.481 3.313 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)C1CCCC1 ZINC000872157304 622839171 /nfs/dbraw/zinc/83/91/71/622839171.db2.gz OJUGTKSJTWDGOX-HIFRSBDPSA-N 2 1 322.415 3.185 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1coc(-c2ccccc2F)n1 ZINC000872156643 622839271 /nfs/dbraw/zinc/83/92/71/622839271.db2.gz KRQLCNAQMUHFQH-UHFFFAOYSA-N 2 1 305.397 3.432 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCc2cccnc2)C1)C1CCCC1 ZINC000872158268 622840092 /nfs/dbraw/zinc/84/00/92/622840092.db2.gz UOQFAXFAPDMVGV-IEBWSBKVSA-N 2 1 301.478 3.244 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C/C=C(/C)C(=O)OC)CC1)CC(C)C ZINC000773737963 623065199 /nfs/dbraw/zinc/06/51/99/623065199.db2.gz WUHRQGIHSBUSLL-IDUWFGFVSA-N 2 1 324.509 3.186 20 0 DGADMP C[N@@H+](CCOc1ccccc1F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200886 623072844 /nfs/dbraw/zinc/07/28/44/623072844.db2.gz MBQIHXFFBFRNIC-UHFFFAOYSA-N 2 1 320.433 3.044 20 0 DGADMP COc1cccc(Cl)c1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211933 623076605 /nfs/dbraw/zinc/07/66/05/623076605.db2.gz TULCDYJHKAEZQL-UHFFFAOYSA-N 2 1 322.861 3.346 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000873227089 623082011 /nfs/dbraw/zinc/08/20/11/623082011.db2.gz GPCRYIDQLAOYDM-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000873227089 623082018 /nfs/dbraw/zinc/08/20/18/623082018.db2.gz GPCRYIDQLAOYDM-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H](CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000873227630 623082460 /nfs/dbraw/zinc/08/24/60/623082460.db2.gz KFPWMEATMCDSPO-BPLDGKMQSA-N 2 1 300.368 3.249 20 0 DGADMP Cc1ncc(C[N@@H+](C)CCCCCC[NH3+])n1-c1ccccc1 ZINC000873231252 623084087 /nfs/dbraw/zinc/08/40/87/623084087.db2.gz BAIXAFJZXLTIEH-UHFFFAOYSA-N 2 1 300.450 3.132 20 0 DGADMP C[N@H+](CCCCCC[NH3+])Cc1cccc(O)c1Br ZINC000873231876 623084664 /nfs/dbraw/zinc/08/46/64/623084664.db2.gz XGZFWIDDBOWCLH-UHFFFAOYSA-N 2 1 315.255 3.106 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(O)c1Br ZINC000873231876 623084668 /nfs/dbraw/zinc/08/46/68/623084668.db2.gz XGZFWIDDBOWCLH-UHFFFAOYSA-N 2 1 315.255 3.106 20 0 DGADMP CCc1noc(C2CCC([NH2+]C[C@H]3CCC(C)(C)C[NH2+]3)CC2)n1 ZINC000873238224 623087189 /nfs/dbraw/zinc/08/71/89/623087189.db2.gz YKJRODYBMSXODE-YMAMQOFZSA-N 2 1 320.481 3.026 20 0 DGADMP Fc1ccc(C(F)(F)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000873280916 623102248 /nfs/dbraw/zinc/10/22/48/623102248.db2.gz FELINIUHFCCXBW-DMDPSCGWSA-N 2 1 316.342 3.034 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614263 623165153 /nfs/dbraw/zinc/16/51/53/623165153.db2.gz JCRODRXTZSPADQ-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614263 623165157 /nfs/dbraw/zinc/16/51/57/623165157.db2.gz JCRODRXTZSPADQ-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614263 623165160 /nfs/dbraw/zinc/16/51/60/623165160.db2.gz JCRODRXTZSPADQ-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614263 623165164 /nfs/dbraw/zinc/16/51/64/623165164.db2.gz JCRODRXTZSPADQ-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000774978817 623212932 /nfs/dbraw/zinc/21/29/32/623212932.db2.gz NNEKKEKQNCQDST-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000774978817 623212936 /nfs/dbraw/zinc/21/29/36/623212936.db2.gz NNEKKEKQNCQDST-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)cs1 ZINC000020306153 623249683 /nfs/dbraw/zinc/24/96/83/623249683.db2.gz GYXTUDDBLVCTPI-UHFFFAOYSA-N 2 1 305.285 3.188 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CCCCC1 ZINC000775367538 623261311 /nfs/dbraw/zinc/26/13/11/623261311.db2.gz WYJQKXQMLNESRY-QLFBSQMISA-N 2 1 314.564 3.220 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000776156402 623384271 /nfs/dbraw/zinc/38/42/71/623384271.db2.gz MBAKPKAGMAHPDE-AQNXPRMDSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000776156402 623384274 /nfs/dbraw/zinc/38/42/74/623384274.db2.gz MBAKPKAGMAHPDE-AQNXPRMDSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000776156401 623384663 /nfs/dbraw/zinc/38/46/63/623384663.db2.gz MBAKPKAGMAHPDE-AABGKKOBSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000776156401 623384672 /nfs/dbraw/zinc/38/46/72/623384672.db2.gz MBAKPKAGMAHPDE-AABGKKOBSA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000776170157 623389472 /nfs/dbraw/zinc/38/94/72/623389472.db2.gz ZDHYJQNHTKULHJ-GOSISDBHSA-N 2 1 300.446 3.314 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc21 ZINC000876938904 623749596 /nfs/dbraw/zinc/74/95/96/623749596.db2.gz BIGCJJPYXJGFHS-RYUDHWBXSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000876938904 623749599 /nfs/dbraw/zinc/74/95/99/623749599.db2.gz BIGCJJPYXJGFHS-RYUDHWBXSA-N 2 1 305.809 3.198 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876942841 623750369 /nfs/dbraw/zinc/75/03/69/623750369.db2.gz GWAAJJFKQQXEMN-NSHDSACASA-N 2 1 309.866 3.381 20 0 DGADMP OCC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000877059960 623779485 /nfs/dbraw/zinc/77/94/85/623779485.db2.gz SJXDGBSSYJDIDD-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000877059960 623779487 /nfs/dbraw/zinc/77/94/87/623779487.db2.gz SJXDGBSSYJDIDD-YSIASYRMSA-N 2 1 314.473 3.105 20 0 DGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877487506 623908145 /nfs/dbraw/zinc/90/81/45/623908145.db2.gz VKGBDRRXQCXLAI-GJZGRUSLSA-N 2 1 313.272 3.292 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000877496723 623911758 /nfs/dbraw/zinc/91/17/58/623911758.db2.gz XKCHIOXOLQTBCL-VQTJNVASSA-N 2 1 316.489 3.303 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000877576289 623949166 /nfs/dbraw/zinc/94/91/66/623949166.db2.gz ISOQTIPJYKAPPP-JLTOFOAXSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000877576289 623949174 /nfs/dbraw/zinc/94/91/74/623949174.db2.gz ISOQTIPJYKAPPP-JLTOFOAXSA-N 2 1 304.415 3.173 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000877585235 623951224 /nfs/dbraw/zinc/95/12/24/623951224.db2.gz QJXFRVLZERTHGL-MSOLQXFVSA-N 2 1 304.478 3.303 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC000877684230 623990876 /nfs/dbraw/zinc/99/08/76/623990876.db2.gz QVEQQILNQOEYKP-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741264 624013220 /nfs/dbraw/zinc/01/32/20/624013220.db2.gz AEIBXFWSFBJVNS-UYAOXDASSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741264 624013224 /nfs/dbraw/zinc/01/32/24/624013224.db2.gz AEIBXFWSFBJVNS-UYAOXDASSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)ccc2c1 ZINC000877741264 624013227 /nfs/dbraw/zinc/01/32/27/624013227.db2.gz AEIBXFWSFBJVNS-UYAOXDASSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)ccc2c1 ZINC000877741264 624013231 /nfs/dbraw/zinc/01/32/31/624013231.db2.gz AEIBXFWSFBJVNS-UYAOXDASSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1F ZINC000877741367 624014340 /nfs/dbraw/zinc/01/43/40/624014340.db2.gz MWJMWWKAXVQPMR-LESCRADOSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC000877741367 624014341 /nfs/dbraw/zinc/01/43/41/624014341.db2.gz MWJMWWKAXVQPMR-LESCRADOSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1F ZINC000877741367 624014342 /nfs/dbraw/zinc/01/43/42/624014342.db2.gz MWJMWWKAXVQPMR-LESCRADOSA-N 2 1 320.452 3.039 20 0 DGADMP CC(C)C[N@H+](Cc1cc(C2CC2)no1)CC1CC[NH+](C)CC1 ZINC000877767415 624028881 /nfs/dbraw/zinc/02/88/81/624028881.db2.gz HPZIHHNGYSZXLX-UHFFFAOYSA-N 2 1 305.466 3.352 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176179 624202243 /nfs/dbraw/zinc/20/22/43/624202243.db2.gz JHYAUWMIKIDPOU-FYQPLNBISA-N 2 1 314.473 3.465 20 0 DGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176179 624202245 /nfs/dbraw/zinc/20/22/45/624202245.db2.gz JHYAUWMIKIDPOU-FYQPLNBISA-N 2 1 314.473 3.465 20 0 DGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176179 624202248 /nfs/dbraw/zinc/20/22/48/624202248.db2.gz JHYAUWMIKIDPOU-FYQPLNBISA-N 2 1 314.473 3.465 20 0 DGADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878285552 624235786 /nfs/dbraw/zinc/23/57/86/624235786.db2.gz BZOZEMUYMUNVSQ-BPQIPLTHSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@@H]1CCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285552 624235788 /nfs/dbraw/zinc/23/57/88/624235788.db2.gz BZOZEMUYMUNVSQ-BPQIPLTHSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@@H]1CCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285552 624235789 /nfs/dbraw/zinc/23/57/89/624235789.db2.gz BZOZEMUYMUNVSQ-BPQIPLTHSA-N 2 1 304.478 3.037 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000878286718 624235873 /nfs/dbraw/zinc/23/58/73/624235873.db2.gz RVKCPMXVVLMOLB-CGTJXYLNSA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)O1 ZINC000878286718 624235876 /nfs/dbraw/zinc/23/58/76/624235876.db2.gz RVKCPMXVVLMOLB-CGTJXYLNSA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)O1 ZINC000878286718 624235878 /nfs/dbraw/zinc/23/58/78/624235878.db2.gz RVKCPMXVVLMOLB-CGTJXYLNSA-N 2 1 306.494 3.283 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878410790 624270884 /nfs/dbraw/zinc/27/08/84/624270884.db2.gz BNVHZILGGCCJCY-BGJMDTOESA-N 2 1 306.494 3.187 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411190 624271198 /nfs/dbraw/zinc/27/11/98/624271198.db2.gz GPHFTYDCQJKLBA-JZXOWHBKSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)nc1Cl ZINC000878549272 624305446 /nfs/dbraw/zinc/30/54/46/624305446.db2.gz IDXWJMCBDAEZPQ-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000783307527 624336727 /nfs/dbraw/zinc/33/67/27/624336727.db2.gz LGRPADNKAGYWSV-IBGZPJMESA-N 2 1 318.436 3.115 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000879206103 624451131 /nfs/dbraw/zinc/45/11/31/624451131.db2.gz FZVVPQKPNFGGRP-IBGZPJMESA-N 2 1 316.489 3.369 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000879210152 624452067 /nfs/dbraw/zinc/45/20/67/624452067.db2.gz UGRRBVQLDCYINN-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245447 624460067 /nfs/dbraw/zinc/46/00/67/624460067.db2.gz XVXYWWNTNKVBSR-RTBURBONSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245447 624460069 /nfs/dbraw/zinc/46/00/69/624460069.db2.gz XVXYWWNTNKVBSR-RTBURBONSA-N 2 1 313.445 3.170 20 0 DGADMP CC(C)c1noc([C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879248846 624463410 /nfs/dbraw/zinc/46/34/10/624463410.db2.gz WEMMCWIZPUDHEU-CQSZACIVSA-N 2 1 306.454 3.062 20 0 DGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(OC)c1OC ZINC000879465285 624558559 /nfs/dbraw/zinc/55/85/59/624558559.db2.gz BJKRADUZHKJWFS-INIZCTEOSA-N 2 1 317.433 3.111 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573270 624596144 /nfs/dbraw/zinc/59/61/44/624596144.db2.gz VVTGRDIAZCOCGW-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573270 624596145 /nfs/dbraw/zinc/59/61/45/624596145.db2.gz VVTGRDIAZCOCGW-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573270 624596146 /nfs/dbraw/zinc/59/61/46/624596146.db2.gz VVTGRDIAZCOCGW-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573270 624596148 /nfs/dbraw/zinc/59/61/48/624596148.db2.gz VVTGRDIAZCOCGW-CZUORRHYSA-N 2 1 310.894 3.458 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000879701889 624644001 /nfs/dbraw/zinc/64/40/01/624644001.db2.gz CUEZKSRLAZURMW-IBGZPJMESA-N 2 1 322.468 3.159 20 0 DGADMP Cc1ncsc1CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702498 624645332 /nfs/dbraw/zinc/64/53/32/624645332.db2.gz NJKROVLDLZBWCQ-UHFFFAOYSA-N 2 1 309.523 3.294 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022678 624758203 /nfs/dbraw/zinc/75/82/03/624758203.db2.gz WAKUNDUILBXOQA-VNTMZGSJSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022678 624758209 /nfs/dbraw/zinc/75/82/09/624758209.db2.gz WAKUNDUILBXOQA-VNTMZGSJSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022678 624758215 /nfs/dbraw/zinc/75/82/15/624758215.db2.gz WAKUNDUILBXOQA-VNTMZGSJSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022678 624758222 /nfs/dbraw/zinc/75/82/22/624758222.db2.gz WAKUNDUILBXOQA-VNTMZGSJSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259701 624874560 /nfs/dbraw/zinc/87/45/60/624874560.db2.gz ZLEHFEMBNVIQAH-GXTWGEPZSA-N 2 1 314.260 3.176 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCN1c1cc[nH+]cc1 ZINC000880259854 624874664 /nfs/dbraw/zinc/87/46/64/624874664.db2.gz JYNPGWOLZNLTAX-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CCN1c1cc[nH+]cc1 ZINC000880258584 624874830 /nfs/dbraw/zinc/87/48/30/624874830.db2.gz AWNAARPTPUSNRI-SJLPKXTDSA-N 2 1 315.461 3.084 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574381 624981022 /nfs/dbraw/zinc/98/10/22/624981022.db2.gz LFZHVTLRLSCZCE-MOPGFXCFSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574381 624981025 /nfs/dbraw/zinc/98/10/25/624981025.db2.gz LFZHVTLRLSCZCE-MOPGFXCFSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574381 624981027 /nfs/dbraw/zinc/98/10/27/624981027.db2.gz LFZHVTLRLSCZCE-MOPGFXCFSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000791407786 625793634 /nfs/dbraw/zinc/79/36/34/625793634.db2.gz IQZFVCXSVKOSBD-MRXNPFEDSA-N 2 1 323.912 3.061 20 0 DGADMP CCC(CC)(C[NH2+]Cc1ncc(C[NH+](C)C)s1)SC ZINC000796317225 626038078 /nfs/dbraw/zinc/03/80/78/626038078.db2.gz YBFHGKHZLYHJFM-UHFFFAOYSA-N 2 1 301.525 3.216 20 0 DGADMP C[NH+](C)Cc1cnc(CNc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000796331268 626039290 /nfs/dbraw/zinc/03/92/90/626039290.db2.gz DHVALHDBNMCPND-UHFFFAOYSA-N 2 1 322.453 3.018 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000796930879 626096886 /nfs/dbraw/zinc/09/68/86/626096886.db2.gz KRMXWYHETWGXHP-SJXGUFTOSA-N 2 1 305.491 3.291 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000799179064 626277732 /nfs/dbraw/zinc/27/77/32/626277732.db2.gz BEZWUEFPHPVPCS-QGZVFWFLSA-N 2 1 322.880 3.181 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)CC1 ZINC000801555991 626409628 /nfs/dbraw/zinc/40/96/28/626409628.db2.gz UDINMIHXGVCEOA-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000802303210 626558449 /nfs/dbraw/zinc/55/84/49/626558449.db2.gz ZXXBNXWSTHDUJD-RTBURBONSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883210186 626609831 /nfs/dbraw/zinc/60/98/31/626609831.db2.gz PIDWNSAACDTVQV-LJQANCHMSA-N 2 1 318.436 3.145 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2cc(C3CC3)ccc2OC)[C@H](C)C1 ZINC000883264534 626629519 /nfs/dbraw/zinc/62/95/19/626629519.db2.gz DIAXJCCKMPLFRR-RDTXWAMCSA-N 2 1 302.462 3.393 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)ccc2OC)[C@H](C)C1 ZINC000883264534 626629523 /nfs/dbraw/zinc/62/95/23/626629523.db2.gz DIAXJCCKMPLFRR-RDTXWAMCSA-N 2 1 302.462 3.393 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000883320578 626646450 /nfs/dbraw/zinc/64/64/50/626646450.db2.gz PLAOTFJGDGORHV-YCKXBTPASA-N 2 1 314.473 3.197 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883329424 626649610 /nfs/dbraw/zinc/64/96/10/626649610.db2.gz KFCIHRDKEMXBGH-HOCLYGCPSA-N 2 1 318.461 3.371 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883329424 626649611 /nfs/dbraw/zinc/64/96/11/626649611.db2.gz KFCIHRDKEMXBGH-HOCLYGCPSA-N 2 1 318.461 3.371 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416305 626677633 /nfs/dbraw/zinc/67/76/33/626677633.db2.gz RIGWHVXWUPMHED-NQYYFHDYSA-N 2 1 302.462 3.499 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416305 626677634 /nfs/dbraw/zinc/67/76/34/626677634.db2.gz RIGWHVXWUPMHED-NQYYFHDYSA-N 2 1 302.462 3.499 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCC4(C3)CC[NH2+]CC4)O2)cc1 ZINC000883424346 626679445 /nfs/dbraw/zinc/67/94/45/626679445.db2.gz OUNMSWOXESSYST-OALUTQOASA-N 2 1 314.473 3.372 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428507 626680043 /nfs/dbraw/zinc/68/00/43/626680043.db2.gz WDJXVNQEPHOERH-IBGZPJMESA-N 2 1 311.429 3.226 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428507 626680046 /nfs/dbraw/zinc/68/00/46/626680046.db2.gz WDJXVNQEPHOERH-IBGZPJMESA-N 2 1 311.429 3.226 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)C1CCCCC1 ZINC000883430134 626680502 /nfs/dbraw/zinc/68/05/02/626680502.db2.gz NTPGEKNQYKZWDA-CEXWTWQISA-N 2 1 302.462 3.404 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883434921 626681369 /nfs/dbraw/zinc/68/13/69/626681369.db2.gz FAJGLGZPWRXDQB-HAGHYFMRSA-N 2 1 314.473 3.358 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883434829 626681599 /nfs/dbraw/zinc/68/15/99/626681599.db2.gz BWQWPQNWXUIUFJ-FTJRRQOFSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883434829 626681600 /nfs/dbraw/zinc/68/16/00/626681600.db2.gz BWQWPQNWXUIUFJ-FTJRRQOFSA-N 2 1 300.446 3.110 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000883442222 626683330 /nfs/dbraw/zinc/68/33/30/626683330.db2.gz HBLZFPTWJBHEAQ-MSOLQXFVSA-N 2 1 323.440 3.008 20 0 DGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000806131417 626700204 /nfs/dbraw/zinc/70/02/04/626700204.db2.gz KUTHNCVKCHBKQX-OAHLLOKOSA-N 2 1 305.853 3.186 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806140252 626701835 /nfs/dbraw/zinc/70/18/35/626701835.db2.gz ICLICOVHJWGSKM-AWEZNQCLSA-N 2 1 304.825 3.297 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@@](C)(CC)CC2=O)CC1 ZINC000808159470 626799994 /nfs/dbraw/zinc/79/99/94/626799994.db2.gz HRVYGPXFRJVINR-IBGZPJMESA-N 2 1 323.525 3.036 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000809705152 626939260 /nfs/dbraw/zinc/93/92/60/626939260.db2.gz ODQSLVLGTMFMDY-JWTNVVGKSA-N 2 1 318.461 3.116 20 0 DGADMP CCOCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000809705152 626939263 /nfs/dbraw/zinc/93/92/63/626939263.db2.gz ODQSLVLGTMFMDY-JWTNVVGKSA-N 2 1 318.461 3.116 20 0 DGADMP CCOCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000809705152 626939264 /nfs/dbraw/zinc/93/92/64/626939264.db2.gz ODQSLVLGTMFMDY-JWTNVVGKSA-N 2 1 318.461 3.116 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000809738657 626944450 /nfs/dbraw/zinc/94/44/50/626944450.db2.gz DHGKPLPBRJZXQS-UHFFFAOYSA-N 2 1 314.477 3.332 20 0 DGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(F)c1OC ZINC000885901742 627057395 /nfs/dbraw/zinc/05/73/95/627057395.db2.gz QMQARIFYXBCFIA-UHFFFAOYSA-N 2 1 324.440 3.242 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000886032372 627088933 /nfs/dbraw/zinc/08/89/33/627088933.db2.gz DXGSJLZZYVAWHX-YQVWRLOYSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000886032372 627088935 /nfs/dbraw/zinc/08/89/35/627088935.db2.gz DXGSJLZZYVAWHX-YQVWRLOYSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000886032372 627088937 /nfs/dbraw/zinc/08/89/37/627088937.db2.gz DXGSJLZZYVAWHX-YQVWRLOYSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000886032372 627088939 /nfs/dbraw/zinc/08/89/39/627088939.db2.gz DXGSJLZZYVAWHX-YQVWRLOYSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000886032372 627088942 /nfs/dbraw/zinc/08/89/42/627088942.db2.gz DXGSJLZZYVAWHX-YQVWRLOYSA-N 2 1 304.478 3.254 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000886033513 627089528 /nfs/dbraw/zinc/08/95/28/627089528.db2.gz VWRKJSFRFOTCNQ-HKUYNNGSSA-N 2 1 304.478 3.113 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000886033513 627089530 /nfs/dbraw/zinc/08/95/30/627089530.db2.gz VWRKJSFRFOTCNQ-HKUYNNGSSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000886044441 627092244 /nfs/dbraw/zinc/09/22/44/627092244.db2.gz WSXOBJKQXAQZGV-SXLOBPIMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000886044441 627092248 /nfs/dbraw/zinc/09/22/48/627092248.db2.gz WSXOBJKQXAQZGV-SXLOBPIMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000886044441 627092252 /nfs/dbraw/zinc/09/22/52/627092252.db2.gz WSXOBJKQXAQZGV-SXLOBPIMSA-N 2 1 316.489 3.255 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000886140141 627111134 /nfs/dbraw/zinc/11/11/34/627111134.db2.gz AUDSVNLGYCEMHZ-NQYYFHDYSA-N 2 1 308.510 3.149 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000886225797 627123876 /nfs/dbraw/zinc/12/38/76/627123876.db2.gz BXTNTGSEQGOMFC-VQTJNVASSA-N 2 1 314.473 3.198 20 0 DGADMP C[NH+](Cc1ccncc1)[C@H]1CC[C@H]([N@@H+](C)Cc2ccncc2)CC1 ZINC000886392040 627145786 /nfs/dbraw/zinc/14/57/86/627145786.db2.gz PLOZLNFMOKJEMY-MXVIHJGJSA-N 2 1 324.472 3.352 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000886536335 627159008 /nfs/dbraw/zinc/15/90/08/627159008.db2.gz FYVZDUXUGDSKPW-GOSISDBHSA-N 2 1 304.482 3.114 20 0 DGADMP C[C@@]1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCOC1 ZINC000886543345 627159731 /nfs/dbraw/zinc/15/97/31/627159731.db2.gz MYVPJZRZMBHUMU-ZGXWSNOMSA-N 2 1 314.473 3.198 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886636928 627177820 /nfs/dbraw/zinc/17/78/20/627177820.db2.gz YIUCILWRZSBBPZ-HVTWWXFQSA-N 2 1 314.473 3.197 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000886710750 627195831 /nfs/dbraw/zinc/19/58/31/627195831.db2.gz FNWDGLJUFGHDSX-UHFFFAOYSA-N 2 1 314.473 3.114 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000886719928 627197204 /nfs/dbraw/zinc/19/72/04/627197204.db2.gz MNROYCWDVPZIPW-UHFFFAOYSA-N 2 1 314.473 3.210 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000886841471 627211245 /nfs/dbraw/zinc/21/12/45/627211245.db2.gz MICTWACTMQXCFV-QZTJIDSGSA-N 2 1 306.494 3.047 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000886873996 627212232 /nfs/dbraw/zinc/21/22/32/627212232.db2.gz DEAWGVVQCYHLNC-FQEVSTJZSA-N 2 1 322.456 3.109 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000886873996 627212233 /nfs/dbraw/zinc/21/22/33/627212233.db2.gz DEAWGVVQCYHLNC-FQEVSTJZSA-N 2 1 322.456 3.109 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876228 627212273 /nfs/dbraw/zinc/21/22/73/627212273.db2.gz YTYPCFPKIFFXDI-UFYCRDLUSA-N 2 1 314.473 3.372 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(C)n1 ZINC000887136159 627228298 /nfs/dbraw/zinc/22/82/98/627228298.db2.gz LNDXFGWLFIZIBZ-INIZCTEOSA-N 2 1 310.445 3.113 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150032 627230230 /nfs/dbraw/zinc/23/02/30/627230230.db2.gz UEVIQHFUPBFFSO-UHFFFAOYSA-N 2 1 311.429 3.399 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150032 627230231 /nfs/dbraw/zinc/23/02/31/627230231.db2.gz UEVIQHFUPBFFSO-UHFFFAOYSA-N 2 1 311.429 3.399 20 0 DGADMP Cn1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C(F)F)n1 ZINC000812767516 627418553 /nfs/dbraw/zinc/41/85/53/627418553.db2.gz YWZPBHBDCBFJFK-UHFFFAOYSA-N 2 1 322.403 3.051 20 0 DGADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C(F)F)n1 ZINC000812767516 627418554 /nfs/dbraw/zinc/41/85/54/627418554.db2.gz YWZPBHBDCBFJFK-UHFFFAOYSA-N 2 1 322.403 3.051 20 0 DGADMP Cn1cncc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790367 627512085 /nfs/dbraw/zinc/51/20/85/627512085.db2.gz NAIPMIHAHRXTDB-YQQQUEKLSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1cncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813790367 627512088 /nfs/dbraw/zinc/51/20/88/627512088.db2.gz NAIPMIHAHRXTDB-YQQQUEKLSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1cncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790367 627512091 /nfs/dbraw/zinc/51/20/91/627512091.db2.gz NAIPMIHAHRXTDB-YQQQUEKLSA-N 2 1 324.472 3.095 20 0 DGADMP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790782 627512112 /nfs/dbraw/zinc/51/21/12/627512112.db2.gz XYNNYKAYFBWELJ-PANBIXPWSA-N 2 1 314.473 3.339 20 0 DGADMP Cn1nccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790582 627512204 /nfs/dbraw/zinc/51/22/04/627512204.db2.gz RORYUZWAYGYRLZ-YQQQUEKLSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813790582 627512208 /nfs/dbraw/zinc/51/22/08/627512208.db2.gz RORYUZWAYGYRLZ-YQQQUEKLSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790582 627512210 /nfs/dbraw/zinc/51/22/10/627512210.db2.gz RORYUZWAYGYRLZ-YQQQUEKLSA-N 2 1 324.472 3.095 20 0 DGADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000815126225 627632468 /nfs/dbraw/zinc/63/24/68/627632468.db2.gz ISYZQEMHQVKUJB-GOSISDBHSA-N 2 1 322.880 3.381 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3cccc4ccccc43)C2)C1 ZINC000815143143 627636731 /nfs/dbraw/zinc/63/67/31/627636731.db2.gz FQXLTAMMUQZAFF-SFTDATJTSA-N 2 1 324.468 3.291 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)c3cccc4ccccc43)C2)C1 ZINC000815143143 627636735 /nfs/dbraw/zinc/63/67/35/627636735.db2.gz FQXLTAMMUQZAFF-SFTDATJTSA-N 2 1 324.468 3.291 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1OC ZINC000924536867 627646467 /nfs/dbraw/zinc/64/64/67/627646467.db2.gz UDDLRQDUWJYGSV-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP C[C@H]1CC2(CC([NH2+]CCC[N@@H+](C)Cc3ccccc3)C2)CO1 ZINC000924580256 627651862 /nfs/dbraw/zinc/65/18/62/627651862.db2.gz QSYQOXAMKRXTSF-IVMQYODDSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)Cc1ccccc1 ZINC000924579901 627651898 /nfs/dbraw/zinc/65/18/98/627651898.db2.gz NEUSZXZGZDNXNF-VQTJNVASSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000924584413 627652446 /nfs/dbraw/zinc/65/24/46/627652446.db2.gz JOAVTIXJOVHSSA-YJBOKZPZSA-N 2 1 312.461 3.173 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000924683591 627666596 /nfs/dbraw/zinc/66/65/96/627666596.db2.gz AJUWFQZSDQSMRG-HZPDHXFCSA-N 2 1 305.466 3.253 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687602 627667850 /nfs/dbraw/zinc/66/78/50/627667850.db2.gz WKUZSWZPJGXBBW-KSZLIROESA-N 2 1 303.494 3.360 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000924688243 627668094 /nfs/dbraw/zinc/66/80/94/627668094.db2.gz SAXDLRSRANIGFN-JKSUJKDBSA-N 2 1 307.486 3.164 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)n1 ZINC000924697446 627669350 /nfs/dbraw/zinc/66/93/50/627669350.db2.gz TVPWFUJGEYSITI-XQQFMLRXSA-N 2 1 324.266 3.122 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000924705057 627670848 /nfs/dbraw/zinc/67/08/48/627670848.db2.gz KFZLMXDYSGHPEA-RTWAWAEBSA-N 2 1 323.484 3.167 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(C2CCC2)c1)C[NH+]1CCCCC1 ZINC000924722287 627673604 /nfs/dbraw/zinc/67/36/04/627673604.db2.gz RDBVQNKXSIECPD-HOTGVXAUSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924750972 627676686 /nfs/dbraw/zinc/67/66/86/627676686.db2.gz HUTYLWKQEWQECP-QAPCUYQASA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924750972 627676688 /nfs/dbraw/zinc/67/66/88/627676688.db2.gz HUTYLWKQEWQECP-QAPCUYQASA-N 2 1 308.510 3.292 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924754550 627676795 /nfs/dbraw/zinc/67/67/95/627676795.db2.gz UCYMUHHCFFLJDN-HZPDHXFCSA-N 2 1 304.478 3.297 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000924872070 627689383 /nfs/dbraw/zinc/68/93/83/627689383.db2.gz HLFBQZPXTPSSKP-IBGZPJMESA-N 2 1 306.413 3.274 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000924912828 627692928 /nfs/dbraw/zinc/69/29/28/627692928.db2.gz RSGXTPVJKYJKSM-HNNXBMFYSA-N 2 1 315.461 3.319 20 0 DGADMP CSC1CC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000924939047 627695687 /nfs/dbraw/zinc/69/56/87/627695687.db2.gz PPEGIZKXNFHUCA-WWDZGPRUSA-N 2 1 304.503 3.035 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000924958375 627698086 /nfs/dbraw/zinc/69/80/86/627698086.db2.gz JQWADRPPAHKJOH-VQTJNVASSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1coc2ccccc21 ZINC000925024815 627701647 /nfs/dbraw/zinc/70/16/47/627701647.db2.gz XYEZHBQSHWYKMX-CVEARBPZSA-N 2 1 316.445 3.320 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000925228612 627721446 /nfs/dbraw/zinc/72/14/46/627721446.db2.gz IPMXDCUNSHCRKQ-YQXATGRUSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000925228612 627721452 /nfs/dbraw/zinc/72/14/52/627721452.db2.gz IPMXDCUNSHCRKQ-YQXATGRUSA-N 2 1 316.489 3.300 20 0 DGADMP COc1ccc2[nH]cc(CC[NH2+][C@H](c3ccccc3)[C@@H](C)[NH3+])c2c1 ZINC000925485182 627741134 /nfs/dbraw/zinc/74/11/34/627741134.db2.gz BPFLFUNFPWRLEP-VLIAUNLRSA-N 2 1 323.440 3.397 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925508985 627744185 /nfs/dbraw/zinc/74/41/85/627744185.db2.gz JVVUBFBIZYTELO-HSALFYBXSA-N 2 1 315.505 3.047 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925513323 627745093 /nfs/dbraw/zinc/74/50/93/627745093.db2.gz JDQSTKWGNYNQBQ-HKUYNNGSSA-N 3 1 303.494 3.321 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925513323 627745095 /nfs/dbraw/zinc/74/50/95/627745095.db2.gz JDQSTKWGNYNQBQ-HKUYNNGSSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925513323 627745097 /nfs/dbraw/zinc/74/50/97/627745097.db2.gz JDQSTKWGNYNQBQ-HKUYNNGSSA-N 2 1 303.494 3.321 20 0 DGADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514505 627745565 /nfs/dbraw/zinc/74/55/65/627745565.db2.gz PNFXCEWMZGAERP-GJYPPUQNSA-N 2 1 303.494 3.128 20 0 DGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514505 627745570 /nfs/dbraw/zinc/74/55/70/627745570.db2.gz PNFXCEWMZGAERP-GJYPPUQNSA-N 2 1 303.494 3.128 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925533736 627749701 /nfs/dbraw/zinc/74/97/01/627749701.db2.gz OYQVCAHKNIXXJG-PMACEKPBSA-N 2 1 324.472 3.130 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000925543716 627751205 /nfs/dbraw/zinc/75/12/05/627751205.db2.gz ODMZDDPKBIYIPH-PXNSSMCTSA-N 2 1 324.468 3.413 20 0 DGADMP CO[C@H](C)c1nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000925544190 627751388 /nfs/dbraw/zinc/75/13/88/627751388.db2.gz YPGQYLQFMPITNW-CJNGLKHVSA-N 2 1 319.474 3.420 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(F)c1 ZINC000925580346 627758025 /nfs/dbraw/zinc/75/80/25/627758025.db2.gz LOBDNKQQAKDHOI-WMZOPIPTSA-N 2 1 306.425 3.092 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1 ZINC000925580344 627758143 /nfs/dbraw/zinc/75/81/43/627758143.db2.gz LOBDNKQQAKDHOI-SJLPKXTDSA-N 2 1 306.425 3.092 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925588625 627759168 /nfs/dbraw/zinc/75/91/68/627759168.db2.gz RJWAODPDISXOFK-MUYFXNHWSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1sc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)nc1-c1ccccc1 ZINC000925587797 627759238 /nfs/dbraw/zinc/75/92/38/627759238.db2.gz JZCVTVJFWXFTEO-OAHLLOKOSA-N 2 1 315.486 3.391 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000925587710 627759245 /nfs/dbraw/zinc/75/92/45/627759245.db2.gz JDBMLNQGQOZOGM-BHIYHBOVSA-N 2 1 308.510 3.149 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925612316 627762978 /nfs/dbraw/zinc/76/29/78/627762978.db2.gz JJIWQBMOCTZTBK-ROUUACIJSA-N 2 1 317.477 3.127 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925615885 627763282 /nfs/dbraw/zinc/76/32/82/627763282.db2.gz ISSPKJSTEVMEEX-LMMKCTJWSA-N 2 1 303.494 3.033 20 0 DGADMP C[C@H]([NH3+])[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925655878 627771197 /nfs/dbraw/zinc/77/11/97/627771197.db2.gz XGRFJYGNSXUWGD-DSKINZAPSA-N 2 1 323.484 3.187 20 0 DGADMP c1cc2c(nc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCCC2 ZINC000925660727 627772700 /nfs/dbraw/zinc/77/27/00/627772700.db2.gz SYNFDCMWGKKQKZ-QUCCMNQESA-N 2 1 313.489 3.218 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C12CCC2 ZINC000925673844 627774943 /nfs/dbraw/zinc/77/49/43/627774943.db2.gz PDFPDGAJGTWPQP-NMLBUPMWSA-N 2 1 322.452 3.321 20 0 DGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925675726 627775314 /nfs/dbraw/zinc/77/53/14/627775314.db2.gz OWEVLNGOBCXNDC-KJFJEJCSSA-N 2 1 302.849 3.172 20 0 DGADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccnc2)cc1 ZINC000925709650 627779934 /nfs/dbraw/zinc/77/99/34/627779934.db2.gz PDNHCZOIYULTSH-FQEVSTJZSA-N 2 1 307.441 3.331 20 0 DGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[N@H+]1CC[C@@H](Oc3cccc(Cl)c3)C1)[NH2+]2 ZINC000925722674 627782012 /nfs/dbraw/zinc/78/20/12/627782012.db2.gz IYCOLTZFEVVSSG-PYHPYESLSA-N 2 1 320.864 3.322 20 0 DGADMP CCSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000925731139 627783866 /nfs/dbraw/zinc/78/38/66/627783866.db2.gz JYPDMISGOBQSKP-KZNAEPCWSA-N 2 1 320.502 3.045 20 0 DGADMP Cc1ccc([C@@H](C)N2CCc3sc(CN)nc3C2)c(C)c1 ZINC000925751384 627787779 /nfs/dbraw/zinc/78/77/79/627787779.db2.gz PDWQXGVNTDPQNY-CYBMUJFWSA-N 2 1 301.459 3.338 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000925755615 627789326 /nfs/dbraw/zinc/78/93/26/627789326.db2.gz HDIVILWBMHYPHE-HNNXBMFYSA-N 3 1 312.461 3.445 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000925759564 627789959 /nfs/dbraw/zinc/78/99/59/627789959.db2.gz PBMSNDXAZCAPLT-CQSZACIVSA-N 2 1 304.434 3.112 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(OC(F)F)c1 ZINC000925778116 627793796 /nfs/dbraw/zinc/79/37/96/627793796.db2.gz IDPQOYYTNKAOMG-JQWIXIFHSA-N 2 1 320.330 3.183 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cnc2ccsc2c1 ZINC000925783455 627794459 /nfs/dbraw/zinc/79/44/59/627794459.db2.gz OSOGVFZCSGNUFA-PWSUYJOCSA-N 2 1 311.401 3.192 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806494 627798329 /nfs/dbraw/zinc/79/83/29/627798329.db2.gz DYTQQJRDFCLUFE-PXNSSMCTSA-N 2 1 317.521 3.095 20 0 DGADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n1)CCCC2 ZINC000925807486 627798358 /nfs/dbraw/zinc/79/83/58/627798358.db2.gz VIHJIEQPCLYXIE-CEXWTWQISA-N 2 1 313.489 3.361 20 0 DGADMP CC1([NH+]2CCCC2)CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925819880 627799765 /nfs/dbraw/zinc/79/97/65/627799765.db2.gz AMDMHVMZKBBBFJ-LXPRWKDFSA-N 2 1 305.510 3.048 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925845163 627805049 /nfs/dbraw/zinc/80/50/49/627805049.db2.gz XIKWEUGJMALMHA-MTFMMBMASA-N 3 1 319.537 3.151 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925844570 627805183 /nfs/dbraw/zinc/80/51/83/627805183.db2.gz UZINVRDXASGLTO-CWFSZBLJSA-N 3 1 324.472 3.364 20 0 DGADMP C[NH+](C)CCOc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000926042310 627833589 /nfs/dbraw/zinc/83/35/89/627833589.db2.gz IIXZJJBQDDPOIF-OALUTQOASA-N 2 1 317.477 3.056 20 0 DGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926326336 627880210 /nfs/dbraw/zinc/88/02/10/627880210.db2.gz PPZWDQOWYDQBQY-RDTXWAMCSA-N 2 1 313.445 3.464 20 0 DGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326336 627880214 /nfs/dbraw/zinc/88/02/14/627880214.db2.gz PPZWDQOWYDQBQY-RDTXWAMCSA-N 2 1 313.445 3.464 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000926350752 627882879 /nfs/dbraw/zinc/88/28/79/627882879.db2.gz NMOWLLDAXDGBIY-QYZOEREBSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926459698 627899085 /nfs/dbraw/zinc/89/90/85/627899085.db2.gz XLCVBDZRNZNQHA-HKUYNNGSSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926571881 627916332 /nfs/dbraw/zinc/91/63/32/627916332.db2.gz AEFGKIKTKYQUKV-DLBZAZTESA-N 3 1 303.494 3.131 20 0 DGADMP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[N@H+](C)CC(C)C)n(C)n1 ZINC000926646060 627926545 /nfs/dbraw/zinc/92/65/45/627926545.db2.gz UQCVDQOJACDZGC-IEBWSBKVSA-N 2 1 320.525 3.007 20 0 DGADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C2CCC2)c1 ZINC000926676666 627930997 /nfs/dbraw/zinc/93/09/97/627930997.db2.gz VHUYHSJWMOREAV-WBAXXEDZSA-N 2 1 302.466 3.276 20 0 DGADMP C1CC1[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000926706628 627936644 /nfs/dbraw/zinc/93/66/44/627936644.db2.gz ISILCMOYJNKFMD-LNLFQRSKSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000926706628 627936648 /nfs/dbraw/zinc/93/66/48/627936648.db2.gz ISILCMOYJNKFMD-LNLFQRSKSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000926706626 627936724 /nfs/dbraw/zinc/93/67/24/627936724.db2.gz ISILCMOYJNKFMD-JENIJYKNSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000926706626 627936729 /nfs/dbraw/zinc/93/67/29/627936729.db2.gz ISILCMOYJNKFMD-JENIJYKNSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000926706623 627937050 /nfs/dbraw/zinc/93/70/50/627937050.db2.gz ISILCMOYJNKFMD-AOIWGVFYSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000926706623 627937052 /nfs/dbraw/zinc/93/70/52/627937052.db2.gz ISILCMOYJNKFMD-AOIWGVFYSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739403 627944248 /nfs/dbraw/zinc/94/42/48/627944248.db2.gz RITNWZNEHOWFEZ-RDJZCZTQSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739403 627944252 /nfs/dbraw/zinc/94/42/52/627944252.db2.gz RITNWZNEHOWFEZ-RDJZCZTQSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926778241 627951959 /nfs/dbraw/zinc/95/19/59/627951959.db2.gz OQAHRTLEYMLLCF-DFEOGRTESA-N 2 1 316.489 3.015 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000926779015 627951977 /nfs/dbraw/zinc/95/19/77/627951977.db2.gz UMBPWRBSSIUJDJ-QWFCFKBJSA-N 2 1 323.484 3.370 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817891852 627953490 /nfs/dbraw/zinc/95/34/90/627953490.db2.gz OKCUYXDYNMSRCM-IINYFYTJSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000817891081 627953695 /nfs/dbraw/zinc/95/36/95/627953695.db2.gz FORIMCSSRMQRLV-RZAIGCCYSA-N 2 1 321.424 3.001 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000926894150 627973751 /nfs/dbraw/zinc/97/37/51/627973751.db2.gz WAFBSNOVCMAZCD-QOJCHSLYSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000926894150 627973756 /nfs/dbraw/zinc/97/37/56/627973756.db2.gz WAFBSNOVCMAZCD-QOJCHSLYSA-N 2 1 313.489 3.037 20 0 DGADMP COCc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000817958661 627974629 /nfs/dbraw/zinc/97/46/29/627974629.db2.gz LGRBWOXUSNONGX-KDOFPFPSSA-N 2 1 320.477 3.400 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nc(Br)cs1 ZINC000817960711 627975912 /nfs/dbraw/zinc/97/59/12/627975912.db2.gz QCFQJKIMJKXBAO-GUBZILKMSA-N 2 1 318.284 3.074 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000927019279 627998708 /nfs/dbraw/zinc/99/87/08/627998708.db2.gz DUIFRXOIHYUBSW-IHPCNDPISA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000927019279 627998712 /nfs/dbraw/zinc/99/87/12/627998712.db2.gz DUIFRXOIHYUBSW-IHPCNDPISA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000927019947 627998758 /nfs/dbraw/zinc/99/87/58/627998758.db2.gz UYDFOFMBPSLLIQ-RDTXWAMCSA-N 2 1 301.434 3.382 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000927112829 628018134 /nfs/dbraw/zinc/01/81/34/628018134.db2.gz SLGNGXCLESRQGF-MUGJNUQGSA-N 2 1 314.473 3.153 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000927120353 628020530 /nfs/dbraw/zinc/02/05/30/628020530.db2.gz OLKRKIAGPRVJHF-MNEFBYGVSA-N 2 1 302.462 3.010 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000818959591 628067118 /nfs/dbraw/zinc/06/71/18/628067118.db2.gz OLBPDSUKWDCQRU-PKOBYXMFSA-N 2 1 304.478 3.130 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000818959347 628067476 /nfs/dbraw/zinc/06/74/76/628067476.db2.gz IKMMQJRQUQQYAX-CRAIPNDOSA-N 2 1 324.896 3.475 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818960918 628068124 /nfs/dbraw/zinc/06/81/24/628068124.db2.gz JNQWVIAKMXSEGD-GQIGUUNPSA-N 2 1 316.489 3.025 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@H](O)C1CC1)C1CCCCC1 ZINC000818970384 628069684 /nfs/dbraw/zinc/06/96/84/628069684.db2.gz OGKXKNVDRTURHH-FQEVSTJZSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819183682 628108366 /nfs/dbraw/zinc/10/83/66/628108366.db2.gz XZJCCSURKBZZTG-CRAIPNDOSA-N 2 1 324.896 3.331 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819275128 628125717 /nfs/dbraw/zinc/12/57/17/628125717.db2.gz RFGHQDAIWZSTSL-TZIWHRDSSA-N 2 1 324.468 3.140 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807831 628299021 /nfs/dbraw/zinc/29/90/21/628299021.db2.gz RWLQLIAJCDQDSF-SNRMKQJTSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807831 628299023 /nfs/dbraw/zinc/29/90/23/628299023.db2.gz RWLQLIAJCDQDSF-SNRMKQJTSA-N 2 1 301.478 3.026 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000821343207 628358899 /nfs/dbraw/zinc/35/88/99/628358899.db2.gz UZELPNQTDMLXHF-HXUWFJFHSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000821343207 628358902 /nfs/dbraw/zinc/35/89/02/628358902.db2.gz UZELPNQTDMLXHF-HXUWFJFHSA-N 2 1 318.505 3.032 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccnc(Cl)c3F)C2)CC1 ZINC000824388466 628657268 /nfs/dbraw/zinc/65/72/68/628657268.db2.gz DFLGTXLBMMKETC-ZDUSSCGKSA-N 2 1 311.832 3.038 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccnc(Cl)c3F)C2)CC1 ZINC000824388466 628657270 /nfs/dbraw/zinc/65/72/70/628657270.db2.gz DFLGTXLBMMKETC-ZDUSSCGKSA-N 2 1 311.832 3.038 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000829443758 629157297 /nfs/dbraw/zinc/15/72/97/629157297.db2.gz DDFFFNAUKLOMBM-CYBMUJFWSA-N 2 1 305.293 3.378 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000834585093 629734719 /nfs/dbraw/zinc/73/47/19/629734719.db2.gz FXMBKFJZRJKNFJ-DLBZAZTESA-N 2 1 308.491 3.432 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000834831980 629787041 /nfs/dbraw/zinc/78/70/41/629787041.db2.gz LZEOYWYCGAVJEM-ACBHZAAOSA-N 2 1 324.472 3.361 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)[C@@H]2CCC[C@@H]21 ZINC000834893273 629800439 /nfs/dbraw/zinc/80/04/39/629800439.db2.gz NWHYLUGWWPQZCO-XDQVBPFNSA-N 2 1 305.293 3.423 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000840808813 630360840 /nfs/dbraw/zinc/36/08/40/630360840.db2.gz FHTIJURYXXACTQ-YLJYHZDGSA-N 2 1 316.489 3.476 20 0 DGADMP CCCCCCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000841026427 630398332 /nfs/dbraw/zinc/39/83/32/630398332.db2.gz BJQTZTFJWWLZSH-UHFFFAOYSA-N 2 1 320.477 3.496 20 0 DGADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCCCCC[NH3+])c(C)c1 ZINC000842471605 630538979 /nfs/dbraw/zinc/53/89/79/630538979.db2.gz LPONQPVLBQCCJA-UHFFFAOYSA-N 2 1 319.493 3.391 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000842472640 630539405 /nfs/dbraw/zinc/53/94/05/630539405.db2.gz GWBFLCKYFFEBOB-YESZJQIVSA-N 2 1 322.518 3.416 20 0 DGADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H](O)c1ccc(F)cc1 ZINC000842472990 630539624 /nfs/dbraw/zinc/53/96/24/630539624.db2.gz LLYYTWGXQOXDOL-APWZRJJASA-N 2 1 322.468 3.207 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000842472637 630539851 /nfs/dbraw/zinc/53/98/51/630539851.db2.gz GWBFLCKYFFEBOB-GVDBMIGSSA-N 2 1 322.518 3.416 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000843048656 630608013 /nfs/dbraw/zinc/60/80/13/630608013.db2.gz NVUBAXGIGXCKHQ-MRXNPFEDSA-N 2 1 314.404 3.185 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000843047857 630608101 /nfs/dbraw/zinc/60/81/01/630608101.db2.gz ZAZJPYCMLGIMFI-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000843047857 630608102 /nfs/dbraw/zinc/60/81/02/630608102.db2.gz ZAZJPYCMLGIMFI-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)C2CCC([NH3+])CC2)cc1F ZINC000843055300 630609640 /nfs/dbraw/zinc/60/96/40/630609640.db2.gz XAMZQHXJBAWFRY-IUDNXUCKSA-N 2 1 308.441 3.215 20 0 DGADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000843358244 630649403 /nfs/dbraw/zinc/64/94/03/630649403.db2.gz IPSUIRUTFPKIER-UXHICEINSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000843355063 630649473 /nfs/dbraw/zinc/64/94/73/630649473.db2.gz KVPKPKZBUPCQHO-UHFFFAOYSA-N 2 1 316.367 3.286 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc(=O)oc2c1C ZINC000843384656 630650902 /nfs/dbraw/zinc/65/09/02/630650902.db2.gz WHXCJMULKWXNQH-MRXNPFEDSA-N 2 1 314.429 3.113 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000844910857 630977206 /nfs/dbraw/zinc/97/72/06/630977206.db2.gz KJVWBURLMFRDTH-VHDGCEQUSA-N 2 1 314.882 3.262 20 0 DGADMP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000845928671 631202461 /nfs/dbraw/zinc/20/24/61/631202461.db2.gz PQCNOPZYSWFJOE-INIZCTEOSA-N 2 1 316.449 3.117 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)[C@@H]2CCC[C@H]21 ZINC000846214698 631215059 /nfs/dbraw/zinc/21/50/59/631215059.db2.gz LUMKNKWEPSYEJF-ZOBORPQBSA-N 2 1 305.293 3.423 20 0 DGADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846218526 631215414 /nfs/dbraw/zinc/21/54/14/631215414.db2.gz WTJGOORTVUZZKR-KRWDZBQOSA-N 2 1 306.450 3.360 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000846217887 631215447 /nfs/dbraw/zinc/21/54/47/631215447.db2.gz IAWAOLOLSLJLKY-UHFFFAOYSA-N 2 1 311.267 3.326 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOC2CCCCCC2)C1 ZINC000846226783 631215798 /nfs/dbraw/zinc/21/57/98/631215798.db2.gz BUJYPPNWUYKPSL-NEWSRXKRSA-N 2 1 324.509 3.087 20 0 DGADMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000848987590 631798151 /nfs/dbraw/zinc/79/81/51/631798151.db2.gz JJURFOUNDFELGP-UHFFFAOYSA-N 2 1 315.421 3.005 20 0 DGADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000848987741 631798259 /nfs/dbraw/zinc/79/82/59/631798259.db2.gz WYJNAEQSFQUJSD-UHFFFAOYSA-N 2 1 302.466 3.232 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000848989435 631799098 /nfs/dbraw/zinc/79/90/98/631799098.db2.gz QJDCTRUMYKTYOR-KRWDZBQOSA-N 2 1 316.493 3.264 20 0 DGADMP [NH2+]=C(NCC[NH+]1CCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000849014694 631807170 /nfs/dbraw/zinc/80/71/70/631807170.db2.gz RKTMTAQEAGXMLJ-UHFFFAOYSA-N 2 1 310.401 3.121 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1 ZINC000849016712 631808088 /nfs/dbraw/zinc/80/80/88/631808088.db2.gz DSWDIBUFKFEFBF-AWEZNQCLSA-N 2 1 300.450 3.398 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041065 631815538 /nfs/dbraw/zinc/81/55/38/631815538.db2.gz JHTFPNWHDKCRMV-HNNXBMFYSA-N 2 1 316.493 3.480 20 0 DGADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)NC1CCCC1 ZINC000849076813 631827753 /nfs/dbraw/zinc/82/77/53/631827753.db2.gz XVDMRTUNJOOCIN-KRWDZBQOSA-N 2 1 306.498 3.088 20 0 DGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381058 632134023 /nfs/dbraw/zinc/13/40/23/632134023.db2.gz ALOIQVIVTFAYNL-IPYPFGDCSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381058 632134025 /nfs/dbraw/zinc/13/40/25/632134025.db2.gz ALOIQVIVTFAYNL-IPYPFGDCSA-N 2 1 320.399 3.093 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850422254 632147905 /nfs/dbraw/zinc/14/79/05/632147905.db2.gz KNKAHZKJZGGWNS-AWEZNQCLSA-N 2 1 300.446 3.289 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850433993 632151676 /nfs/dbraw/zinc/15/16/76/632151676.db2.gz SZGHJPAQIQGQKL-SQNIBIBYSA-N 2 1 322.880 3.114 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850433993 632151679 /nfs/dbraw/zinc/15/16/79/632151679.db2.gz SZGHJPAQIQGQKL-SQNIBIBYSA-N 2 1 322.880 3.114 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCO2 ZINC000850473295 632163573 /nfs/dbraw/zinc/16/35/73/632163573.db2.gz WLLOCSFTMQODFQ-DXJOGWAWSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850474289 632163843 /nfs/dbraw/zinc/16/38/43/632163843.db2.gz LGWRSPHIRVVZQG-HOTGVXAUSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850575375 632200033 /nfs/dbraw/zinc/20/00/33/632200033.db2.gz VALCVUZFUOCOQK-DLBZAZTESA-N 2 1 310.869 3.082 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2snnc2C)CC1 ZINC000929295354 660523630 /nfs/dbraw/zinc/52/36/30/660523630.db2.gz GRXOQVZJUAWWBI-CQSZACIVSA-N 2 1 310.511 3.351 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC)C1 ZINC001034479694 660757520 /nfs/dbraw/zinc/75/75/20/660757520.db2.gz AQMGRJGLYBSSIU-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC)C1 ZINC001034479694 660757522 /nfs/dbraw/zinc/75/75/22/660757522.db2.gz AQMGRJGLYBSSIU-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC)C1 ZINC001034479694 660757524 /nfs/dbraw/zinc/75/75/24/660757524.db2.gz AQMGRJGLYBSSIU-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708523847 660924144 /nfs/dbraw/zinc/92/41/44/660924144.db2.gz RTWXPOJJJUYIHE-HNJRGHQBSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cscc2Br)CC[NH2+]1 ZINC000709793874 660930370 /nfs/dbraw/zinc/93/03/70/660930370.db2.gz VIUPDXJWLSHPJN-GHMZBOCLSA-N 2 1 317.296 3.331 20 0 DGADMP C[N@@H+](CCCOC(=O)c1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000793173777 661009920 /nfs/dbraw/zinc/00/99/20/661009920.db2.gz NYWRXIBAJULRFL-UHFFFAOYSA-N 2 1 323.396 3.013 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156610 655529358 /nfs/dbraw/zinc/52/93/58/655529358.db2.gz YBZRUXIPQFEDER-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156610 655529360 /nfs/dbraw/zinc/52/93/60/655529360.db2.gz YBZRUXIPQFEDER-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156610 655529361 /nfs/dbraw/zinc/52/93/61/655529361.db2.gz YBZRUXIPQFEDER-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163841 655665390 /nfs/dbraw/zinc/66/53/90/655665390.db2.gz ZVHRDIMXOBFBQQ-MQVJKMGUSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163841 655665394 /nfs/dbraw/zinc/66/53/94/655665394.db2.gz ZVHRDIMXOBFBQQ-MQVJKMGUSA-N 2 1 308.853 3.454 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401431 655706004 /nfs/dbraw/zinc/70/60/04/655706004.db2.gz WXLIATGZTWINPM-GBESFXJTSA-N 2 1 314.473 3.056 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000723674872 655715669 /nfs/dbraw/zinc/71/56/69/655715669.db2.gz DYFPSQNBUXYODS-SNVBAGLBSA-N 2 1 317.658 3.273 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000723674886 655715690 /nfs/dbraw/zinc/71/56/90/655715690.db2.gz GCQPJBREZJHAJZ-JTQLQIEISA-N 2 1 317.658 3.273 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795900173 661178045 /nfs/dbraw/zinc/17/80/45/661178045.db2.gz SDTMPMADOQONBW-KRWDZBQOSA-N 2 1 324.509 3.164 20 0 DGADMP Cc1cc(O)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000074721827 655746822 /nfs/dbraw/zinc/74/68/22/655746822.db2.gz MHMGUYZLGBYMKW-QGZVFWFLSA-N 2 1 302.462 3.173 20 0 DGADMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000074721827 655746823 /nfs/dbraw/zinc/74/68/23/655746823.db2.gz MHMGUYZLGBYMKW-QGZVFWFLSA-N 2 1 302.462 3.173 20 0 DGADMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000074721827 655746824 /nfs/dbraw/zinc/74/68/24/655746824.db2.gz MHMGUYZLGBYMKW-QGZVFWFLSA-N 2 1 302.462 3.173 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H]3CC=CCC3)c2)CCO1 ZINC000121695421 655750627 /nfs/dbraw/zinc/75/06/27/655750627.db2.gz IZNLDONHWWXWFA-MSOLQXFVSA-N 2 1 314.473 3.353 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CC=CCC3)c2)CCO1 ZINC000121695421 655750629 /nfs/dbraw/zinc/75/06/29/655750629.db2.gz IZNLDONHWWXWFA-MSOLQXFVSA-N 2 1 314.473 3.353 20 0 DGADMP C[C@H]1CCC[C@@](C[NH2+]CC2CCC3(CC2)OCCO3)([NH+](C)C)C1 ZINC000795903074 661178302 /nfs/dbraw/zinc/17/83/02/661178302.db2.gz NEMFMCMWECVJCK-FUHWJXTLSA-N 2 1 324.509 3.020 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161484297 655800947 /nfs/dbraw/zinc/80/09/47/655800947.db2.gz MXHCJVOWLIXBNF-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161484297 655800949 /nfs/dbraw/zinc/80/09/49/655800949.db2.gz MXHCJVOWLIXBNF-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000052210097 655807719 /nfs/dbraw/zinc/80/77/19/655807719.db2.gz RVWWGGVQJMWCAR-LJQANCHMSA-N 2 1 322.468 3.303 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CCC([NH3+])CC1 ZINC000091844688 655845569 /nfs/dbraw/zinc/84/55/69/655845569.db2.gz LCHYGVKONUJILK-UHFFFAOYSA-N 2 1 302.340 3.287 20 0 DGADMP C1CC1[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707625 655935293 /nfs/dbraw/zinc/93/52/93/655935293.db2.gz RRSGQQNOHJIDND-MJGOQNOKSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707625 655935295 /nfs/dbraw/zinc/93/52/95/655935295.db2.gz RRSGQQNOHJIDND-MJGOQNOKSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC001025137245 655969811 /nfs/dbraw/zinc/96/98/11/655969811.db2.gz XNSUUXMHITVEOT-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000309730329 656046247 /nfs/dbraw/zinc/04/62/47/656046247.db2.gz OSUHRIKPOZYZJM-PKOBYXMFSA-N 2 1 307.441 3.181 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000309730329 656046251 /nfs/dbraw/zinc/04/62/51/656046251.db2.gz OSUHRIKPOZYZJM-PKOBYXMFSA-N 2 1 307.441 3.181 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000931350290 656212863 /nfs/dbraw/zinc/21/28/63/656212863.db2.gz IMDAACUFMAISFC-UHFFFAOYSA-N 2 1 323.868 3.085 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000162800089 656223070 /nfs/dbraw/zinc/22/30/70/656223070.db2.gz UEPMXFKDORIULO-UHFFFAOYSA-N 2 1 315.446 3.096 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000162800089 656223072 /nfs/dbraw/zinc/22/30/72/656223072.db2.gz UEPMXFKDORIULO-UHFFFAOYSA-N 2 1 315.446 3.096 20 0 DGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000313566255 656292876 /nfs/dbraw/zinc/29/28/76/656292876.db2.gz MAIVOWIDTINXGK-CTNGQTDRSA-N 2 1 324.468 3.222 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920660 656814919 /nfs/dbraw/zinc/81/49/19/656814919.db2.gz YYTODNCEJBFEIY-ZDUSSCGKSA-N 2 1 319.346 3.338 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920660 656814923 /nfs/dbraw/zinc/81/49/23/656814923.db2.gz YYTODNCEJBFEIY-ZDUSSCGKSA-N 2 1 319.346 3.338 20 0 DGADMP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000900005026 657064859 /nfs/dbraw/zinc/06/48/59/657064859.db2.gz WIDMYCDVXWTLMS-WFASDCNBSA-N 2 1 302.422 3.234 20 0 DGADMP COc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000237128158 657147519 /nfs/dbraw/zinc/14/75/19/657147519.db2.gz KACZLHZQFRMKNK-HOTGVXAUSA-N 2 1 315.461 3.024 20 0 DGADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262003985 657281916 /nfs/dbraw/zinc/28/19/16/657281916.db2.gz LOXSTROHCFPZNQ-KRWDZBQOSA-N 2 1 301.821 3.074 20 0 DGADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262003985 657281920 /nfs/dbraw/zinc/28/19/20/657281920.db2.gz LOXSTROHCFPZNQ-KRWDZBQOSA-N 2 1 301.821 3.074 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000895377401 657443250 /nfs/dbraw/zinc/44/32/50/657443250.db2.gz FTIMULMGZLDQPX-HNAYVOBHSA-N 2 1 312.461 3.182 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000895377401 657443256 /nfs/dbraw/zinc/44/32/56/657443256.db2.gz FTIMULMGZLDQPX-HNAYVOBHSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895377788 657443501 /nfs/dbraw/zinc/44/35/01/657443501.db2.gz HBUIDRTUBKUWBD-YJBOKZPZSA-N 2 1 306.498 3.325 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895377788 657443503 /nfs/dbraw/zinc/44/35/03/657443503.db2.gz HBUIDRTUBKUWBD-YJBOKZPZSA-N 2 1 306.498 3.325 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC)C1 ZINC001009169240 657754150 /nfs/dbraw/zinc/75/41/50/657754150.db2.gz NSSYSNYEBKMHHM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169240 657754153 /nfs/dbraw/zinc/75/41/53/657754153.db2.gz NSSYSNYEBKMHHM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169240 657754155 /nfs/dbraw/zinc/75/41/55/657754155.db2.gz NSSYSNYEBKMHHM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166720826 659045429 /nfs/dbraw/zinc/04/54/29/659045429.db2.gz JRWCYPSZPSLWIV-WSTZPKSXSA-N 2 1 313.489 3.180 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929747454 661334351 /nfs/dbraw/zinc/33/43/51/661334351.db2.gz CWOGZUWUNIUHDX-HDYDNRTBSA-N 2 1 316.489 3.398 20 0 DGADMP CCSc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823246 661432678 /nfs/dbraw/zinc/43/26/78/661432678.db2.gz GPBPLKYZJAOFBU-UHFFFAOYSA-N 2 1 320.502 3.095 20 0 DGADMP CCCC[N@@H+](CCN1CCCC1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033355 661446860 /nfs/dbraw/zinc/44/68/60/661446860.db2.gz PYZHSICOSZRVBM-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CC(C)C3)C2)ccn1 ZINC000931093248 661451846 /nfs/dbraw/zinc/45/18/46/661451846.db2.gz JHZRRDWOVKWGID-LADRWXRNSA-N 2 1 317.477 3.033 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CC(C)C3)C2)ccn1 ZINC000931093248 661451848 /nfs/dbraw/zinc/45/18/48/661451848.db2.gz JHZRRDWOVKWGID-LADRWXRNSA-N 2 1 317.477 3.033 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CC(C)C3)C2)ccn1 ZINC000931093248 661451850 /nfs/dbraw/zinc/45/18/50/661451850.db2.gz JHZRRDWOVKWGID-LADRWXRNSA-N 2 1 317.477 3.033 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931318086 661466638 /nfs/dbraw/zinc/46/66/38/661466638.db2.gz RNUYUOKRCTXTDQ-UFYCRDLUSA-N 2 1 316.489 3.428 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931318416 661467081 /nfs/dbraw/zinc/46/70/81/661467081.db2.gz TWIGTCLCPSHMEI-YSIASYRMSA-N 2 1 316.489 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931318416 661467082 /nfs/dbraw/zinc/46/70/82/661467082.db2.gz TWIGTCLCPSHMEI-YSIASYRMSA-N 2 1 316.489 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931318416 661467083 /nfs/dbraw/zinc/46/70/83/661467083.db2.gz TWIGTCLCPSHMEI-YSIASYRMSA-N 2 1 316.489 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931318416 661467084 /nfs/dbraw/zinc/46/70/84/661467084.db2.gz TWIGTCLCPSHMEI-YSIASYRMSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCSCc3ccccc3)C[C@@H]2C1 ZINC000931438234 661476138 /nfs/dbraw/zinc/47/61/38/661476138.db2.gz JDUBKFWCEXUNDX-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCSCc3ccccc3)C[C@@H]2C1 ZINC000931438234 661476141 /nfs/dbraw/zinc/47/61/41/661476141.db2.gz JDUBKFWCEXUNDX-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCSCc3ccccc3)C[C@@H]2C1 ZINC000931438234 661476143 /nfs/dbraw/zinc/47/61/43/661476143.db2.gz JDUBKFWCEXUNDX-MSOLQXFVSA-N 2 1 304.503 3.193 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccccc1 ZINC000931435685 661476433 /nfs/dbraw/zinc/47/64/33/661476433.db2.gz CKEITNZUIWENPD-OTWHNJEPSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931435685 661476434 /nfs/dbraw/zinc/47/64/34/661476434.db2.gz CKEITNZUIWENPD-OTWHNJEPSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931435685 661476436 /nfs/dbraw/zinc/47/64/36/661476436.db2.gz CKEITNZUIWENPD-OTWHNJEPSA-N 2 1 302.462 3.036 20 0 DGADMP COc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC000931464049 661479242 /nfs/dbraw/zinc/47/92/42/661479242.db2.gz HSYUMDFCHKXLEM-UHFFFAOYSA-N 2 1 302.462 3.454 20 0 DGADMP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931650054 661495365 /nfs/dbraw/zinc/49/53/65/661495365.db2.gz FGYFNUQUXRUUKW-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931650054 661495367 /nfs/dbraw/zinc/49/53/67/661495367.db2.gz FGYFNUQUXRUUKW-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620341 661586666 /nfs/dbraw/zinc/58/66/66/661586666.db2.gz DNPAWLXUIZQLLX-UHFFFAOYSA-N 2 1 316.474 3.016 20 0 DGADMP C[C@@H](O)CCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933549083 661640320 /nfs/dbraw/zinc/64/03/20/661640320.db2.gz CWLMDYUXRYVPKB-GOSISDBHSA-N 2 1 316.489 3.235 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000075713397 661944455 /nfs/dbraw/zinc/94/44/55/661944455.db2.gz KSVXRLDJRDQYFN-GOSISDBHSA-N 2 1 324.896 3.426 20 0 DGADMP C[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@H]1n1ccnc1 ZINC000246572039 662265229 /nfs/dbraw/zinc/26/52/29/662265229.db2.gz LGCMEHYEPMYHAD-VQIMIIECSA-N 2 1 321.428 3.287 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000093996754 662361870 /nfs/dbraw/zinc/36/18/70/662361870.db2.gz DHQMSUIOPHJQBR-UHFFFAOYSA-N 2 1 315.230 3.290 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381888724 685160609 /nfs/dbraw/zinc/16/06/09/685160609.db2.gz QXWYQPFWORWKPQ-WDSOQIARSA-N 2 1 300.446 3.179 20 0 DGADMP CC(C)CNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381960701 685161636 /nfs/dbraw/zinc/16/16/36/685161636.db2.gz GWDOLMWBCNUMBB-GOSISDBHSA-N 2 1 316.493 3.059 20 0 DGADMP C[C@]1(C[NH2+]C[C@@H]2CCC=CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000390697909 685204151 /nfs/dbraw/zinc/20/41/51/685204151.db2.gz AYHKMHFMXIJNBY-RBUKOAKNSA-N 2 1 300.446 3.181 20 0 DGADMP C[C@]1(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC001576500627 1191833360 /nfs/dbraw/zinc/83/33/60/1191833360.db2.gz KHCVSELVGWLJKQ-OALUTQOASA-N 2 1 320.452 3.196 20 0 DGADMP C[C@]1(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC001576500627 1191833370 /nfs/dbraw/zinc/83/33/70/1191833370.db2.gz KHCVSELVGWLJKQ-OALUTQOASA-N 2 1 320.452 3.196 20 0 DGADMP CC(C)(C)n1cncc1[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576502379 1191833484 /nfs/dbraw/zinc/83/34/84/1191833484.db2.gz BQECUKMLRWXJEQ-APWZRJJASA-N 2 1 318.509 3.207 20 0 DGADMP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576857221 1191871539 /nfs/dbraw/zinc/87/15/39/1191871539.db2.gz ZUAYFRWFBSUPKJ-CLROSIBMSA-N 2 1 308.853 3.229 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576971879 1191877834 /nfs/dbraw/zinc/87/78/34/1191877834.db2.gz ROPFMLUMSZNWEW-DOTOQJQBSA-N 2 1 305.466 3.090 20 0 DGADMP CC[C@H]1CCCC[C@@H]1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001577249505 1191890009 /nfs/dbraw/zinc/89/00/09/1191890009.db2.gz IOPFEOZDXADJON-KVPLUYHFSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249505 1191890023 /nfs/dbraw/zinc/89/00/23/1191890023.db2.gz IOPFEOZDXADJON-KVPLUYHFSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249505 1191890026 /nfs/dbraw/zinc/89/00/26/1191890026.db2.gz IOPFEOZDXADJON-KVPLUYHFSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC001577312421 1191892789 /nfs/dbraw/zinc/89/27/89/1191892789.db2.gz DPDDTGXSVJATQN-RHSMWYFYSA-N 2 1 318.461 3.013 20 0 DGADMP CCCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC001577608458 1191909297 /nfs/dbraw/zinc/90/92/97/1191909297.db2.gz DSCNDVHLRYUELI-MFKMUULPSA-N 2 1 306.397 3.270 20 0 DGADMP CCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC001577608458 1191909298 /nfs/dbraw/zinc/90/92/98/1191909298.db2.gz DSCNDVHLRYUELI-MFKMUULPSA-N 2 1 306.397 3.270 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCOC(C)(C)C1 ZINC001577737115 1191914757 /nfs/dbraw/zinc/91/47/57/1191914757.db2.gz RQXMGLBLGNZHNM-GOSISDBHSA-N 2 1 302.462 3.112 20 0 DGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)o1 ZINC001578255354 1191935004 /nfs/dbraw/zinc/93/50/04/1191935004.db2.gz REFGPXZBZFZBDN-XIRDDKMYSA-N 2 1 318.461 3.136 20 0 DGADMP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)CC(C)(C)C[NH3+] ZINC001578477616 1191945871 /nfs/dbraw/zinc/94/58/71/1191945871.db2.gz XSKZLGWNHOMWAV-UHFFFAOYSA-N 2 1 305.249 3.289 20 0 DGADMP C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)CC1CC[NH2+]CC1 ZINC001578500690 1191946882 /nfs/dbraw/zinc/94/68/82/1191946882.db2.gz WNNWPDJFPOPACW-UHFFFAOYSA-N 2 1 321.371 3.051 20 0 DGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3cccc(C[NH3+])c3)c2)C1 ZINC001578528106 1191947114 /nfs/dbraw/zinc/94/71/14/1191947114.db2.gz DCQOZUALCMKVIX-GOSISDBHSA-N 2 1 323.440 3.207 20 0 DGADMP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC001578676521 1191951074 /nfs/dbraw/zinc/95/10/74/1191951074.db2.gz DRXHCMJZJOSEIZ-GOSISDBHSA-N 2 1 318.461 3.216 20 0 DGADMP COC(=O)c1csc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC001578885824 1191960251 /nfs/dbraw/zinc/96/02/51/1191960251.db2.gz YJJUSJNKIPKZET-HNNXBMFYSA-N 2 1 322.474 3.018 20 0 DGADMP COC(=O)c1csc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC001578885824 1191960254 /nfs/dbraw/zinc/96/02/54/1191960254.db2.gz YJJUSJNKIPKZET-HNNXBMFYSA-N 2 1 322.474 3.018 20 0 DGADMP COCC[C@H]([NH3+])C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001579002064 1191963923 /nfs/dbraw/zinc/96/39/23/1191963923.db2.gz NRHDUPFSDLOHKH-INIZCTEOSA-N 2 1 310.869 3.057 20 0 DGADMP COCC[C@H]([NH3+])C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC001578999964 1191964206 /nfs/dbraw/zinc/96/42/06/1191964206.db2.gz LBFXSWAWAOZCCW-MANSERQUSA-N 2 1 302.462 3.008 20 0 DGADMP COCc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)o1 ZINC001579091629 1191966795 /nfs/dbraw/zinc/96/67/95/1191966795.db2.gz XTQRZIYIUOVMII-BFYDXBDKSA-N 2 1 306.450 3.328 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(C(F)(F)F)c1 ZINC001579149000 1191967430 /nfs/dbraw/zinc/96/74/30/1191967430.db2.gz JUQQSDHTNFTCBV-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC001579460640 1191977237 /nfs/dbraw/zinc/97/72/37/1191977237.db2.gz CZMDSIIFTZIKLD-KOLCDFICSA-N 2 1 317.658 3.048 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001579552973 1191979743 /nfs/dbraw/zinc/97/97/43/1191979743.db2.gz SSCUHHWYFKBCMZ-OLZOCXBDSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC001579691630 1191987460 /nfs/dbraw/zinc/98/74/60/1191987460.db2.gz BYAFPGMVHLAIDI-QGZVFWFLSA-N 2 1 312.461 3.099 20 0 DGADMP Cc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC001579691630 1191987468 /nfs/dbraw/zinc/98/74/68/1191987468.db2.gz BYAFPGMVHLAIDI-QGZVFWFLSA-N 2 1 312.461 3.099 20 0 DGADMP Clc1ccc(Cl)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC001579938814 1191999973 /nfs/dbraw/zinc/99/99/73/1191999973.db2.gz NBTJFDGSRLXAEC-LBPRGKRZSA-N 2 1 314.260 3.210 20 0 DGADMP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C(C)(C)[NH3+])no1)CCC2 ZINC001579868663 1191997173 /nfs/dbraw/zinc/99/71/73/1191997173.db2.gz MXVLSHRDZOJFLB-CYBMUJFWSA-N 2 1 320.462 3.143 20 0 DGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1)CCC2 ZINC001579868663 1191997175 /nfs/dbraw/zinc/99/71/75/1191997175.db2.gz MXVLSHRDZOJFLB-CYBMUJFWSA-N 2 1 320.462 3.143 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CC(F)(F)F ZINC001580131695 1192009458 /nfs/dbraw/zinc/00/94/58/1192009458.db2.gz GZLUMYIAKSIAAM-KKUMJFAQSA-N 2 1 300.368 3.267 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC[C@H]1C(F)(F)F ZINC001580274238 1192018421 /nfs/dbraw/zinc/01/84/21/1192018421.db2.gz HQFIKPRYJFJXED-UONOGXRCSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CC[C@H]1C(F)(F)F ZINC001580274238 1192018422 /nfs/dbraw/zinc/01/84/22/1192018422.db2.gz HQFIKPRYJFJXED-UONOGXRCSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]CCC[N@@H+](C[C@H](O)c1cccc(Cl)c1)CC1CCCC1 ZINC001580297075 1192019877 /nfs/dbraw/zinc/01/98/77/1192019877.db2.gz GWRXFLXTUCGMCH-KRWDZBQOSA-N 2 1 310.869 3.214 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC3(CCCCCC3)O1)C2 ZINC001580334922 1192021905 /nfs/dbraw/zinc/02/19/05/1192021905.db2.gz INXIWDRPXXGEBP-KSZLIROESA-N 2 1 306.494 3.319 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](c2ccccc2)C1 ZINC001580880764 1192043639 /nfs/dbraw/zinc/04/36/39/1192043639.db2.gz XTOIDGFIZQVPFS-FPOVZHCZSA-N 2 1 322.452 3.030 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC[NH2+]2)cc1 ZINC001580892363 1192044728 /nfs/dbraw/zinc/04/47/28/1192044728.db2.gz SFQJJLLCIOSVJM-ZGXWSNOMSA-N 2 1 314.473 3.275 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001620939907 1192631117 /nfs/dbraw/zinc/63/11/17/1192631117.db2.gz ZPXWIMGIVRBOEH-OOKSDGMUSA-N 2 1 314.473 3.157 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000157108714 1176685471 /nfs/dbraw/zinc/68/54/71/1176685471.db2.gz MUVKJFAARPJKPZ-VQTJNVASSA-N 2 1 314.473 3.198 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H](C)CC[NH3+])cc1Cl ZINC000393803841 1176704283 /nfs/dbraw/zinc/70/42/83/1176704283.db2.gz WSDUDRIRVSBHAS-VIFPVBQESA-N 2 1 305.647 3.238 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)CC2 ZINC000378907720 1176750286 /nfs/dbraw/zinc/75/02/86/1176750286.db2.gz GIZOTLFJFCAWKM-SFHVURJKSA-N 2 1 316.489 3.407 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC000378929176 1176755330 /nfs/dbraw/zinc/75/53/30/1176755330.db2.gz WNCUUNFIEBWUOT-QUCCMNQESA-N 2 1 316.489 3.263 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000385915708 1177242594 /nfs/dbraw/zinc/24/25/94/1177242594.db2.gz AQKBZKVHBHRZHF-YNEHKIRRSA-N 2 1 313.239 3.052 20 0 DGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001670977443 1177560659 /nfs/dbraw/zinc/56/06/59/1177560659.db2.gz RXOXYKSAHRIRND-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001670977443 1177560665 /nfs/dbraw/zinc/56/06/65/1177560665.db2.gz RXOXYKSAHRIRND-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001670977443 1177560670 /nfs/dbraw/zinc/56/06/70/1177560670.db2.gz RXOXYKSAHRIRND-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C[C@@H](C)O1 ZINC000339142562 1177789668 /nfs/dbraw/zinc/78/96/68/1177789668.db2.gz WUIFWXHJQGHHFI-RWQQGDIJSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C[C@@H](C)O1 ZINC000339142562 1177789674 /nfs/dbraw/zinc/78/96/74/1177789674.db2.gz WUIFWXHJQGHHFI-RWQQGDIJSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C[C@@H](C)O1 ZINC000339142562 1177789679 /nfs/dbraw/zinc/78/96/79/1177789679.db2.gz WUIFWXHJQGHHFI-RWQQGDIJSA-N 2 1 314.473 3.006 20 0 DGADMP CC(C)CC[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000359088730 1178068359 /nfs/dbraw/zinc/06/83/59/1178068359.db2.gz APRYUOPDJDRNDC-IBGZPJMESA-N 2 1 303.494 3.001 20 0 DGADMP c1cc2cccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)c2o1 ZINC001331564025 1178247865 /nfs/dbraw/zinc/24/78/65/1178247865.db2.gz AEZAFEIXCRNCSH-UHFFFAOYSA-N 2 1 314.429 3.166 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)CC1(C)C ZINC001331693863 1178271897 /nfs/dbraw/zinc/27/18/97/1178271897.db2.gz YKWZYWKPBOQMQW-NVXWUHKLSA-N 2 1 310.869 3.010 20 0 DGADMP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001332217459 1178395741 /nfs/dbraw/zinc/39/57/41/1178395741.db2.gz HMSRCFPBWRGIGM-XDIYQJDNSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001332217459 1178395746 /nfs/dbraw/zinc/39/57/46/1178395746.db2.gz HMSRCFPBWRGIGM-XDIYQJDNSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001332217459 1178395753 /nfs/dbraw/zinc/39/57/53/1178395753.db2.gz HMSRCFPBWRGIGM-XDIYQJDNSA-N 2 1 323.525 3.042 20 0 DGADMP COC/C(C)=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001332917900 1178521446 /nfs/dbraw/zinc/52/14/46/1178521446.db2.gz BQMNWABWSCSURU-WUWXSXLPSA-N 2 1 302.462 3.079 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)cc1OC ZINC001333477732 1178611427 /nfs/dbraw/zinc/61/14/27/1178611427.db2.gz GLQJQRDHXHCGOL-BHYGNILZSA-N 2 1 320.477 3.097 20 0 DGADMP CSc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)o1 ZINC001333705159 1178656948 /nfs/dbraw/zinc/65/69/48/1178656948.db2.gz MTDQUXMKHWJCFZ-ZDUSSCGKSA-N 2 1 305.447 3.190 20 0 DGADMP CSc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC001333705159 1178656949 /nfs/dbraw/zinc/65/69/49/1178656949.db2.gz MTDQUXMKHWJCFZ-ZDUSSCGKSA-N 2 1 305.447 3.190 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1OC ZINC001333715546 1178658831 /nfs/dbraw/zinc/65/88/31/1178658831.db2.gz ROGCHKQGMUNNBL-UHFFFAOYSA-N 2 1 318.461 3.072 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@@H]2C1 ZINC001333890828 1178691501 /nfs/dbraw/zinc/69/15/01/1178691501.db2.gz GJXHSEXOAMCPNM-ZIFCJYIRSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@H]2C1 ZINC001333893028 1178691693 /nfs/dbraw/zinc/69/16/93/1178691693.db2.gz WOWCRLLEYWVKHE-CGTJXYLNSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC001333892438 1178691950 /nfs/dbraw/zinc/69/19/50/1178691950.db2.gz RGIVBYGZSRWXJM-OWCLPIDISA-N 2 1 324.415 3.450 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC001334753475 1178790578 /nfs/dbraw/zinc/79/05/78/1178790578.db2.gz FDFZQZWDTAHNDC-GXSJLCMTSA-N 2 1 317.296 3.236 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001335209817 1178870498 /nfs/dbraw/zinc/87/04/98/1178870498.db2.gz DUCDGMUNOMTSJK-ZHALLVOQSA-N 2 1 301.478 3.114 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001335582653 1178933795 /nfs/dbraw/zinc/93/37/95/1178933795.db2.gz NOKWFZCRELHLHX-RLFYNMQTSA-N 2 1 319.468 3.054 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2ncccn2)CC1)CC1CC1 ZINC001335600530 1178934696 /nfs/dbraw/zinc/93/46/96/1178934696.db2.gz UWYXLNSQDNICSI-MRXNPFEDSA-N 2 1 316.493 3.372 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2ncccn2)CC1)CC1CC1 ZINC001335600530 1178934699 /nfs/dbraw/zinc/93/46/99/1178934699.db2.gz UWYXLNSQDNICSI-MRXNPFEDSA-N 2 1 316.493 3.372 20 0 DGADMP CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001341569176 1179030966 /nfs/dbraw/zinc/03/09/66/1179030966.db2.gz MLVAJVUPQRUDSB-AEFFLSMTSA-N 2 1 322.518 3.343 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001342864098 1179200326 /nfs/dbraw/zinc/20/03/26/1179200326.db2.gz MRUXVQORMYTJGV-GOSISDBHSA-N 2 1 318.509 3.389 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001342864098 1179200333 /nfs/dbraw/zinc/20/03/33/1179200333.db2.gz MRUXVQORMYTJGV-GOSISDBHSA-N 2 1 318.509 3.389 20 0 DGADMP C[Si](C)(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001645604627 1195194081 /nfs/dbraw/zinc/19/40/81/1195194081.db2.gz QSLYYPFPLLUCMK-SFHVURJKSA-N 2 1 302.538 3.462 20 0 DGADMP C[Si](C)(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001645604627 1195194085 /nfs/dbraw/zinc/19/40/85/1195194085.db2.gz QSLYYPFPLLUCMK-SFHVURJKSA-N 2 1 302.538 3.462 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001350357370 1180059733 /nfs/dbraw/zinc/05/97/33/1180059733.db2.gz BQVPESUMHWOIDZ-NUJGCVRESA-N 2 1 302.462 3.468 20 0 DGADMP OC1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001350365502 1180060908 /nfs/dbraw/zinc/06/09/08/1180060908.db2.gz SYUNWUZPNOFCKN-JLAWEPINSA-N 2 1 308.510 3.126 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001351313766 1180199036 /nfs/dbraw/zinc/19/90/36/1180199036.db2.gz DEKFLMZCABEBGS-AEFFLSMTSA-N 2 1 315.505 3.290 20 0 DGADMP C[C@H]1CCc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001351313768 1180199233 /nfs/dbraw/zinc/19/92/33/1180199233.db2.gz DEKFLMZCABEBGS-FUHWJXTLSA-N 2 1 315.505 3.290 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCC(O)CC1 ZINC001351486805 1180215429 /nfs/dbraw/zinc/21/54/29/1180215429.db2.gz IYEQUYMDVUWOML-UHFFFAOYSA-N 2 1 304.478 3.121 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])C[C@H](C)CC)c2C1 ZINC001353527503 1180580044 /nfs/dbraw/zinc/58/00/44/1180580044.db2.gz VUAOMMKEOAHQTH-CJNGLKHVSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])C[C@H](C)CC)c2C1 ZINC001353527503 1180580048 /nfs/dbraw/zinc/58/00/48/1180580048.db2.gz VUAOMMKEOAHQTH-CJNGLKHVSA-N 2 1 303.450 3.114 20 0 DGADMP CC(C)C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001358050675 1181450055 /nfs/dbraw/zinc/45/00/55/1181450055.db2.gz BTCCBQKLGFDDMG-ZDUSSCGKSA-N 2 1 311.857 3.104 20 0 DGADMP CN(CC[N@@H+](C)C[C@H]1CCCCC1(C)C)C1CC[NH+](C)CC1 ZINC001473346265 1181451316 /nfs/dbraw/zinc/45/13/16/1181451316.db2.gz WDCKGGVMVPKZOY-QGZVFWFLSA-N 2 1 309.542 3.161 20 0 DGADMP Brc1ccc([C@@H]2CCC[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001574448489 1181755766 /nfs/dbraw/zinc/75/57/66/1181755766.db2.gz RBIZHBGNGPAGGC-HNNXBMFYSA-N 2 1 309.251 3.196 20 0 DGADMP C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC001458544006 1182537988 /nfs/dbraw/zinc/53/79/88/1182537988.db2.gz GBYWYGBPYFRIJI-OAHLLOKOSA-N 2 1 307.319 3.121 20 0 DGADMP C[N@H+]1Cc2ccccc2[C@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC001458544006 1182537994 /nfs/dbraw/zinc/53/79/94/1182537994.db2.gz GBYWYGBPYFRIJI-OAHLLOKOSA-N 2 1 307.319 3.121 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001459621756 1182599741 /nfs/dbraw/zinc/59/97/41/1182599741.db2.gz HKAHMNBUKJSZFA-UYAOXDASSA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001459621756 1182599747 /nfs/dbraw/zinc/59/97/47/1182599747.db2.gz HKAHMNBUKJSZFA-UYAOXDASSA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001459621756 1182599750 /nfs/dbraw/zinc/59/97/50/1182599750.db2.gz HKAHMNBUKJSZFA-UYAOXDASSA-N 2 1 316.489 3.428 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC001459718350 1182609695 /nfs/dbraw/zinc/60/96/95/1182609695.db2.gz JXYHKRBMRDWUGR-RTBURBONSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC001459718350 1182609699 /nfs/dbraw/zinc/60/96/99/1182609699.db2.gz JXYHKRBMRDWUGR-RTBURBONSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](CC(C)C)C[C@H](O)C[N@H+](C)CC ZINC001459718350 1182609700 /nfs/dbraw/zinc/60/97/00/1182609700.db2.gz JXYHKRBMRDWUGR-RTBURBONSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)CC ZINC001459718350 1182609704 /nfs/dbraw/zinc/60/97/04/1182609704.db2.gz JXYHKRBMRDWUGR-RTBURBONSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC001460509804 1182691849 /nfs/dbraw/zinc/69/18/49/1182691849.db2.gz RPWYBCVZVLNHTB-GJYPPUQNSA-N 2 1 317.477 3.033 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC001460509804 1182691854 /nfs/dbraw/zinc/69/18/54/1182691854.db2.gz RPWYBCVZVLNHTB-GJYPPUQNSA-N 2 1 317.477 3.033 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC001460509804 1182691860 /nfs/dbraw/zinc/69/18/60/1182691860.db2.gz RPWYBCVZVLNHTB-GJYPPUQNSA-N 2 1 317.477 3.033 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460600980 1182699082 /nfs/dbraw/zinc/69/90/82/1182699082.db2.gz CKEITNZUIWENPD-QYZOEREBSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460600980 1182699085 /nfs/dbraw/zinc/69/90/85/1182699085.db2.gz CKEITNZUIWENPD-QYZOEREBSA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@@H](C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460600980 1182699092 /nfs/dbraw/zinc/69/90/92/1182699092.db2.gz CKEITNZUIWENPD-QYZOEREBSA-N 2 1 302.462 3.036 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc4ccccc43)C[C@@H]2C1 ZINC001460613658 1182699303 /nfs/dbraw/zinc/69/93/03/1182699303.db2.gz YUASNRHOOUXRQM-MOPGFXCFSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc4ccccc43)C[C@@H]2C1 ZINC001460613658 1182699310 /nfs/dbraw/zinc/69/93/10/1182699310.db2.gz YUASNRHOOUXRQM-MOPGFXCFSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc4ccccc43)C[C@@H]2C1 ZINC001460613658 1182699314 /nfs/dbraw/zinc/69/93/14/1182699314.db2.gz YUASNRHOOUXRQM-MOPGFXCFSA-N 2 1 324.468 3.492 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C1CCC1 ZINC001460624906 1182700919 /nfs/dbraw/zinc/70/09/19/1182700919.db2.gz DWSYOYYMPFWIOR-OALUTQOASA-N 2 1 308.510 3.388 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460688088 1182707593 /nfs/dbraw/zinc/70/75/93/1182707593.db2.gz FBNXZFKIJQYMKF-QUCCMNQESA-N 2 1 318.505 3.349 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)CC2 ZINC001461116854 1182770326 /nfs/dbraw/zinc/77/03/26/1182770326.db2.gz QKDYEEZOBNJOEI-GOSISDBHSA-N 2 1 316.489 3.407 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)CC2 ZINC001461116854 1182770330 /nfs/dbraw/zinc/77/03/30/1182770330.db2.gz QKDYEEZOBNJOEI-GOSISDBHSA-N 2 1 316.489 3.407 20 0 DGADMP CC1(C)CCC[C@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001461165237 1182776447 /nfs/dbraw/zinc/77/64/47/1182776447.db2.gz HKEHMZJUQMDIPV-KRWDZBQOSA-N 2 1 308.510 3.437 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001461199644 1182780241 /nfs/dbraw/zinc/78/02/41/1182780241.db2.gz ZVBYLWLZZMBGGF-LMMKCTJWSA-N 2 1 308.510 3.436 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC001461261909 1182788717 /nfs/dbraw/zinc/78/87/17/1182788717.db2.gz YIOWCAGXCDTHHB-ZWKOTPCHSA-N 2 1 306.494 3.332 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC001461261909 1182788721 /nfs/dbraw/zinc/78/87/21/1182788721.db2.gz YIOWCAGXCDTHHB-ZWKOTPCHSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001461429233 1182813121 /nfs/dbraw/zinc/81/31/21/1182813121.db2.gz DJUVOSZZIRHBDI-FUHIMQAGSA-N 2 1 316.489 3.169 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001461484989 1182819550 /nfs/dbraw/zinc/81/95/50/1182819550.db2.gz UEMRNLSTGLPKGN-BRWVUGGUSA-N 2 1 312.498 3.208 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC001461830752 1182864452 /nfs/dbraw/zinc/86/44/52/1182864452.db2.gz OOTSMMGTPMNPPR-DBVUQKKJSA-N 2 1 314.473 3.438 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(Br)c1 ZINC001461830776 1182865083 /nfs/dbraw/zinc/86/50/83/1182865083.db2.gz OWOBKJLHQDTCKF-OFQRWUPVSA-N 2 1 323.278 3.187 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c(Br)c1 ZINC001461830776 1182865086 /nfs/dbraw/zinc/86/50/86/1182865086.db2.gz OWOBKJLHQDTCKF-OFQRWUPVSA-N 2 1 323.278 3.187 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4scnc4c3)C2)CC1 ZINC001462203630 1182923176 /nfs/dbraw/zinc/92/31/76/1182923176.db2.gz ZFIOPRQWTULNBP-INIZCTEOSA-N 2 1 315.486 3.460 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001462205477 1182924056 /nfs/dbraw/zinc/92/40/56/1182924056.db2.gz YGQDTOAUGZXTOV-SFHVURJKSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001462205477 1182924060 /nfs/dbraw/zinc/92/40/60/1182924060.db2.gz YGQDTOAUGZXTOV-SFHVURJKSA-N 2 1 309.542 3.207 20 0 DGADMP COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001473148624 1183721770 /nfs/dbraw/zinc/72/17/70/1183721770.db2.gz AHXKOLKORQCZPW-MSOLQXFVSA-N 2 1 324.509 3.018 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC001473174336 1183724104 /nfs/dbraw/zinc/72/41/04/1183724104.db2.gz SVRMFASLJZHLNY-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001473326149 1183744900 /nfs/dbraw/zinc/74/49/00/1183744900.db2.gz CNIIYFNFRYHGEP-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1[C@H](C)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C ZINC001473326149 1183744906 /nfs/dbraw/zinc/74/49/06/1183744906.db2.gz CNIIYFNFRYHGEP-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1[C@H](C)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C ZINC001473326149 1183744911 /nfs/dbraw/zinc/74/49/11/1183744911.db2.gz CNIIYFNFRYHGEP-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[N@@H+]1C[C@]23C[NH+](CCc4ccc(F)c(F)c4)C[C@@]2(C1)CCCC3 ZINC001473902479 1183824029 /nfs/dbraw/zinc/82/40/29/1183824029.db2.gz TZKWZNCJLSAIAU-KDURUIRLSA-N 2 1 320.427 3.315 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCc4ccc(F)c(F)c4)C[C@@]2(C1)CCCC3 ZINC001473902479 1183824040 /nfs/dbraw/zinc/82/40/40/1183824040.db2.gz TZKWZNCJLSAIAU-KDURUIRLSA-N 2 1 320.427 3.315 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCc4ccc(F)c(F)c4)C[C@@]2(C1)CCCC3 ZINC001473902479 1183824048 /nfs/dbraw/zinc/82/40/48/1183824048.db2.gz TZKWZNCJLSAIAU-KDURUIRLSA-N 2 1 320.427 3.315 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCc4ccc(F)c(F)c4)C[C@@]2(C1)CCCC3 ZINC001473902479 1183824056 /nfs/dbraw/zinc/82/40/56/1183824056.db2.gz TZKWZNCJLSAIAU-KDURUIRLSA-N 2 1 320.427 3.315 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc([C@@H]2CCCO2)s1)C[NH+]1CCCCC1 ZINC001473949063 1183835551 /nfs/dbraw/zinc/83/55/51/1183835551.db2.gz LUGVYHRAUBWLIZ-HOCLYGCPSA-N 2 1 323.506 3.206 20 0 DGADMP CC[N@H+]1CCC[C@H](CN[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001473964951 1183840372 /nfs/dbraw/zinc/84/03/72/1183840372.db2.gz QKYKUGPKFCKTCY-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001473964951 1183840374 /nfs/dbraw/zinc/84/03/74/1183840374.db2.gz QKYKUGPKFCKTCY-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001473964951 1183840377 /nfs/dbraw/zinc/84/03/77/1183840377.db2.gz QKYKUGPKFCKTCY-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC001473964951 1183840379 /nfs/dbraw/zinc/84/03/79/1183840379.db2.gz QKYKUGPKFCKTCY-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC001473964951 1183840381 /nfs/dbraw/zinc/84/03/81/1183840381.db2.gz QKYKUGPKFCKTCY-NSHGMRRFSA-N 2 1 315.505 3.143 20 0 DGADMP COc1ccccc1/C=C\C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001473988843 1183845810 /nfs/dbraw/zinc/84/58/10/1183845810.db2.gz MCRNZGAHQXYJCO-XBMZPMPPSA-N 2 1 302.462 3.418 20 0 DGADMP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001473988841 1183845952 /nfs/dbraw/zinc/84/59/52/1183845952.db2.gz MCRNZGAHQXYJCO-IVEQORNPSA-N 2 1 302.462 3.418 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001474184756 1183878680 /nfs/dbraw/zinc/87/86/80/1183878680.db2.gz HNSJSWFLGVLRPQ-NHCUHLMSSA-N 2 1 324.468 3.313 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001474184756 1183878682 /nfs/dbraw/zinc/87/86/82/1183878682.db2.gz HNSJSWFLGVLRPQ-NHCUHLMSSA-N 2 1 324.468 3.313 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C(C)(C)C ZINC001474436026 1183921749 /nfs/dbraw/zinc/92/17/49/1183921749.db2.gz UCMRUFGGGJILKZ-INIZCTEOSA-N 2 1 304.478 3.376 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C(C)(C)C ZINC001474436026 1183921752 /nfs/dbraw/zinc/92/17/52/1183921752.db2.gz UCMRUFGGGJILKZ-INIZCTEOSA-N 2 1 304.478 3.376 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1COC(C)(C)O1)C1CCCCC1 ZINC001474614981 1183949413 /nfs/dbraw/zinc/94/94/13/1183949413.db2.gz ITVAOYKREAVUJO-NVXWUHKLSA-N 2 1 312.498 3.161 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC001474630275 1183952359 /nfs/dbraw/zinc/95/23/59/1183952359.db2.gz HKTSPQXJBJDYHG-IXDOHACOSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)C[C@]2(C)C1 ZINC001474730271 1183970274 /nfs/dbraw/zinc/97/02/74/1183970274.db2.gz SLMSJLBFQOUPEH-BZNIZROVSA-N 2 1 321.877 3.333 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)C[C@]2(C)C1 ZINC001474730271 1183970276 /nfs/dbraw/zinc/97/02/76/1183970276.db2.gz SLMSJLBFQOUPEH-BZNIZROVSA-N 2 1 321.877 3.333 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4nc(Cl)ccc4s3)C[C@]2(C)C1 ZINC001474730271 1183970278 /nfs/dbraw/zinc/97/02/78/1183970278.db2.gz SLMSJLBFQOUPEH-BZNIZROVSA-N 2 1 321.877 3.333 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4nc(Cl)ccc4s3)C[C@]2(C)C1 ZINC001474730271 1183970279 /nfs/dbraw/zinc/97/02/79/1183970279.db2.gz SLMSJLBFQOUPEH-BZNIZROVSA-N 2 1 321.877 3.333 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494271934 1184841750 /nfs/dbraw/zinc/84/17/50/1184841750.db2.gz YKWQOPVJXYCUNM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001494271934 1184841756 /nfs/dbraw/zinc/84/17/56/1184841756.db2.gz YKWQOPVJXYCUNM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001494271934 1184841762 /nfs/dbraw/zinc/84/17/62/1184841762.db2.gz YKWQOPVJXYCUNM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001502126448 1185956323 /nfs/dbraw/zinc/95/63/23/1185956323.db2.gz YJWRRBKGAHTDEB-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001502126448 1185956327 /nfs/dbraw/zinc/95/63/27/1185956327.db2.gz YJWRRBKGAHTDEB-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001502126448 1185956330 /nfs/dbraw/zinc/95/63/30/1185956330.db2.gz YJWRRBKGAHTDEB-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001502126445 1185956557 /nfs/dbraw/zinc/95/65/57/1185956557.db2.gz YJWRRBKGAHTDEB-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001502126445 1185956560 /nfs/dbraw/zinc/95/65/60/1185956560.db2.gz YJWRRBKGAHTDEB-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001502126445 1185956565 /nfs/dbraw/zinc/95/65/65/1185956565.db2.gz YJWRRBKGAHTDEB-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001506533232 1186240306 /nfs/dbraw/zinc/24/03/06/1186240306.db2.gz BICUGPWXVBCEAD-FUHWJXTLSA-N 2 1 323.525 3.066 20 0 DGADMP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001506533236 1186240396 /nfs/dbraw/zinc/24/03/96/1186240396.db2.gz BICUGPWXVBCEAD-WMZOPIPTSA-N 2 1 323.525 3.066 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001506556467 1186245798 /nfs/dbraw/zinc/24/57/98/1186245798.db2.gz FUWYMRAGSKVVDJ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001506556467 1186245804 /nfs/dbraw/zinc/24/58/04/1186245804.db2.gz FUWYMRAGSKVVDJ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001506556467 1186245814 /nfs/dbraw/zinc/24/58/14/1186245814.db2.gz FUWYMRAGSKVVDJ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC001506581859 1186256659 /nfs/dbraw/zinc/25/66/59/1186256659.db2.gz ZIJBTNFTAZQQQU-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C ZINC001506581859 1186256664 /nfs/dbraw/zinc/25/66/64/1186256664.db2.gz ZIJBTNFTAZQQQU-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1CC=C(C)C ZINC001506581859 1186256671 /nfs/dbraw/zinc/25/66/71/1186256671.db2.gz ZIJBTNFTAZQQQU-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184464 1193516853 /nfs/dbraw/zinc/51/68/53/1193516853.db2.gz KTNPJUMHKBRFRH-OALUTQOASA-N 2 1 318.505 3.434 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184464 1193516857 /nfs/dbraw/zinc/51/68/57/1193516857.db2.gz KTNPJUMHKBRFRH-OALUTQOASA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184464 1193516860 /nfs/dbraw/zinc/51/68/60/1193516860.db2.gz KTNPJUMHKBRFRH-OALUTQOASA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184464 1193516863 /nfs/dbraw/zinc/51/68/63/1193516863.db2.gz KTNPJUMHKBRFRH-OALUTQOASA-N 2 1 318.505 3.434 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)C(C)C ZINC001615318067 1193520581 /nfs/dbraw/zinc/52/05/81/1193520581.db2.gz CMHKULDESINSBN-QGZVFWFLSA-N 2 1 304.478 3.385 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)C(C)C ZINC001615318067 1193520582 /nfs/dbraw/zinc/52/05/82/1193520582.db2.gz CMHKULDESINSBN-QGZVFWFLSA-N 2 1 304.478 3.385 20 0 DGADMP C([C@@H]1CCCC12CCOCC2)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001615543522 1193523538 /nfs/dbraw/zinc/52/35/38/1193523538.db2.gz KVLAQURATYVRFK-MOPGFXCFSA-N 2 1 320.521 3.391 20 0 DGADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001616754475 1193546517 /nfs/dbraw/zinc/54/65/17/1193546517.db2.gz RDUWNTLYOAIVMC-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1[C@H](C)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC001616754475 1193546519 /nfs/dbraw/zinc/54/65/19/1193546519.db2.gz RDUWNTLYOAIVMC-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1[C@H](C)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC001616754475 1193546520 /nfs/dbraw/zinc/54/65/20/1193546520.db2.gz RDUWNTLYOAIVMC-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCSC(F)(F)F)cc1 ZINC001616881756 1193550114 /nfs/dbraw/zinc/55/01/14/1193550114.db2.gz YELDSHFLZXEJNQ-UHFFFAOYSA-N 2 1 306.397 3.433 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC001549088279 1188493555 /nfs/dbraw/zinc/49/35/55/1188493555.db2.gz JQMANNLXWPHSMO-KDOFPFPSSA-N 2 1 315.848 3.449 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)cc2c1 ZINC001549088327 1188493643 /nfs/dbraw/zinc/49/36/43/1188493643.db2.gz QLKPDKMPTYBXPY-KDOFPFPSSA-N 2 1 300.402 3.002 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001549087616 1188493767 /nfs/dbraw/zinc/49/37/67/1188493767.db2.gz GUYCDIGKCVHJJF-MDMHHNQBSA-N 2 1 314.473 3.151 20 0 DGADMP Cc1nc2ccc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)cc2s1 ZINC001549088039 1188493829 /nfs/dbraw/zinc/49/38/29/1188493829.db2.gz DKTLLJSYHKYIJC-PBHICJAKSA-N 2 1 301.459 3.166 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](c3ccccc3)CO2)CC1(C)C ZINC001549544776 1188525810 /nfs/dbraw/zinc/52/58/10/1188525810.db2.gz AZSIZGWAJVMMFI-OKZBNKHCSA-N 2 1 302.462 3.022 20 0 DGADMP Cn1c[nH+]cc1[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001549764650 1188537488 /nfs/dbraw/zinc/53/74/88/1188537488.db2.gz HBXPBSVFAGQBPZ-NSHDSACASA-N 2 1 310.323 3.218 20 0 DGADMP C[N@@H+]1C[C@H](C[NH2+][C@H]2CCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001550242846 1188596894 /nfs/dbraw/zinc/59/68/94/1188596894.db2.gz ISMALMNNVUKDDZ-OTWHNJEPSA-N 2 1 307.441 3.004 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@H]2CCc3cccnc32)[C@@H](c2ccccc2)C1 ZINC001550242846 1188596897 /nfs/dbraw/zinc/59/68/97/1188596897.db2.gz ISMALMNNVUKDDZ-OTWHNJEPSA-N 2 1 307.441 3.004 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC001550243707 1188597438 /nfs/dbraw/zinc/59/74/38/1188597438.db2.gz VXAYZZYGHFYTCU-HNNXBMFYSA-N 2 1 313.367 3.066 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC001550243707 1188597441 /nfs/dbraw/zinc/59/74/41/1188597441.db2.gz VXAYZZYGHFYTCU-HNNXBMFYSA-N 2 1 313.367 3.066 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001550298360 1188600134 /nfs/dbraw/zinc/60/01/34/1188600134.db2.gz HOASKNHUQDLRSW-INIZCTEOSA-N 2 1 310.445 3.158 20 0 DGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[C@@H]3CCC[N@H+]3C)ccc21 ZINC001550318831 1188604068 /nfs/dbraw/zinc/60/40/68/1188604068.db2.gz NRPTUXMUIGIXBZ-FUHWJXTLSA-N 2 1 315.461 3.048 20 0 DGADMP FC1(F)[C@@H](c2ccccc2)[C@H]1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001550348767 1188607989 /nfs/dbraw/zinc/60/79/89/1188607989.db2.gz FHJDLXYJRAUIBS-FJIDUMEYSA-N 2 1 320.427 3.357 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC001550350163 1188608898 /nfs/dbraw/zinc/60/88/98/1188608898.db2.gz JLLVQELFSFDQLL-UTJXIGIESA-N 2 1 308.853 3.229 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550351526 1188609343 /nfs/dbraw/zinc/60/93/43/1188609343.db2.gz KOLIXDZWBOYLDE-FZMWSMFESA-N 2 1 322.518 3.187 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3csc(C)c3)C2)[C@@H]1C(C)C ZINC001550423859 1188614735 /nfs/dbraw/zinc/61/47/35/1188614735.db2.gz SVDAZZSMIGQSSY-XSLAGTTESA-N 2 1 322.518 3.016 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]CC3CCCCC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423063 1188614969 /nfs/dbraw/zinc/61/49/69/1188614969.db2.gz HIFCZNMPPGVNQP-XWSJACJDSA-N 2 1 308.510 3.026 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3ccc(C)s3)C2)[C@H]1C(C)C ZINC001550422633 1188615000 /nfs/dbraw/zinc/61/50/00/1188615000.db2.gz BBQFHISCIDNASY-FJIDUMEYSA-N 2 1 322.518 3.016 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540956 1188621694 /nfs/dbraw/zinc/62/16/94/1188621694.db2.gz OKLCNAXDGPEAQX-ZIAGYGMSSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540956 1188621697 /nfs/dbraw/zinc/62/16/97/1188621697.db2.gz OKLCNAXDGPEAQX-ZIAGYGMSSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540956 1188621701 /nfs/dbraw/zinc/62/17/01/1188621701.db2.gz OKLCNAXDGPEAQX-ZIAGYGMSSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540956 1188621709 /nfs/dbraw/zinc/62/17/09/1188621709.db2.gz OKLCNAXDGPEAQX-ZIAGYGMSSA-N 2 1 317.458 3.095 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC001550542912 1188622535 /nfs/dbraw/zinc/62/25/35/1188622535.db2.gz AOFSESUYHVONDN-HZPDHXFCSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC001550542912 1188622537 /nfs/dbraw/zinc/62/25/37/1188622537.db2.gz AOFSESUYHVONDN-HZPDHXFCSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)C[C@H]2C1 ZINC001550542912 1188622538 /nfs/dbraw/zinc/62/25/38/1188622538.db2.gz AOFSESUYHVONDN-HZPDHXFCSA-N 2 1 317.864 3.178 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541528 1188622938 /nfs/dbraw/zinc/62/29/38/1188622938.db2.gz YXUKUWXRYFSCKU-BPLDGKMQSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550541528 1188622941 /nfs/dbraw/zinc/62/29/41/1188622941.db2.gz YXUKUWXRYFSCKU-BPLDGKMQSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550541528 1188622944 /nfs/dbraw/zinc/62/29/44/1188622944.db2.gz YXUKUWXRYFSCKU-BPLDGKMQSA-N 2 1 310.388 3.233 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001550544636 1188623585 /nfs/dbraw/zinc/62/35/85/1188623585.db2.gz IUIMJPSSGHXHDY-VQHPVUNQSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001550544636 1188623586 /nfs/dbraw/zinc/62/35/86/1188623586.db2.gz IUIMJPSSGHXHDY-VQHPVUNQSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001550544636 1188623587 /nfs/dbraw/zinc/62/35/87/1188623587.db2.gz IUIMJPSSGHXHDY-VQHPVUNQSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001550544636 1188623589 /nfs/dbraw/zinc/62/35/89/1188623589.db2.gz IUIMJPSSGHXHDY-VQHPVUNQSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001550544636 1188623591 /nfs/dbraw/zinc/62/35/91/1188623591.db2.gz IUIMJPSSGHXHDY-VQHPVUNQSA-N 2 1 306.400 3.061 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001550952909 1188674953 /nfs/dbraw/zinc/67/49/53/1188674953.db2.gz PGZFZXBRWIYRSH-XNGIKWSVSA-N 3 1 316.493 3.053 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC001551377404 1188732400 /nfs/dbraw/zinc/73/24/00/1188732400.db2.gz HTZZBPKUMKJUKO-KYPFXXDHSA-N 2 1 321.468 3.036 20 0 DGADMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001552186613 1188822735 /nfs/dbraw/zinc/82/27/35/1188822735.db2.gz DESNTZSXMAGCQS-MOPGFXCFSA-N 2 1 311.429 3.020 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)C[C@@H]1c1ccccc1 ZINC001552929128 1188882797 /nfs/dbraw/zinc/88/27/97/1188882797.db2.gz UUXLPEXICUEYRN-GUDVDZBRSA-N 2 1 314.473 3.010 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC001559584444 1189220723 /nfs/dbraw/zinc/22/07/23/1189220723.db2.gz MDGTVWWHLYMIKZ-SIXLDLHFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC001559584444 1189220725 /nfs/dbraw/zinc/22/07/25/1189220725.db2.gz MDGTVWWHLYMIKZ-SIXLDLHFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584444 1189220727 /nfs/dbraw/zinc/22/07/27/1189220727.db2.gz MDGTVWWHLYMIKZ-SIXLDLHFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584444 1189220729 /nfs/dbraw/zinc/22/07/29/1189220729.db2.gz MDGTVWWHLYMIKZ-SIXLDLHFSA-N 2 1 308.416 3.450 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC001559788550 1189243195 /nfs/dbraw/zinc/24/31/95/1189243195.db2.gz JWZVFQCPPNIGBF-AOIWGVFYSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC001559788550 1189243200 /nfs/dbraw/zinc/24/32/00/1189243200.db2.gz JWZVFQCPPNIGBF-AOIWGVFYSA-N 2 1 308.510 3.388 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H]2CC(C)(C)CO2)CC1 ZINC001560069709 1189274616 /nfs/dbraw/zinc/27/46/16/1189274616.db2.gz ZCWSBRHDNHCMRQ-ZWKOTPCHSA-N 2 1 308.510 3.388 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC(=O)OC(C)(C)C)CC1 ZINC001560069726 1189275186 /nfs/dbraw/zinc/27/51/86/1189275186.db2.gz ZOJGJVMJQOFKJL-KRWDZBQOSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001560068727 1189275505 /nfs/dbraw/zinc/27/55/05/1189275505.db2.gz GTXWPZCHOKZNJU-QGZVFWFLSA-N 2 1 305.466 3.378 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001560068727 1189275509 /nfs/dbraw/zinc/27/55/09/1189275509.db2.gz GTXWPZCHOKZNJU-QGZVFWFLSA-N 2 1 305.466 3.378 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117834 1189281291 /nfs/dbraw/zinc/28/12/91/1189281291.db2.gz IORHKSQNHTZHPG-IAGOWNOFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117834 1189281293 /nfs/dbraw/zinc/28/12/93/1189281293.db2.gz IORHKSQNHTZHPG-IAGOWNOFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117834 1189281299 /nfs/dbraw/zinc/28/12/99/1189281299.db2.gz IORHKSQNHTZHPG-IAGOWNOFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117834 1189281303 /nfs/dbraw/zinc/28/13/03/1189281303.db2.gz IORHKSQNHTZHPG-IAGOWNOFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC001560178850 1189287601 /nfs/dbraw/zinc/28/76/01/1189287601.db2.gz FNRQOILAHOSGJN-KRWDZBQOSA-N 2 1 308.441 3.401 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC001560178850 1189287603 /nfs/dbraw/zinc/28/76/03/1189287603.db2.gz FNRQOILAHOSGJN-KRWDZBQOSA-N 2 1 308.441 3.401 20 0 DGADMP CCCCCC[C@H](O)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238607 1189296705 /nfs/dbraw/zinc/29/67/05/1189296705.db2.gz SSIPEIOUHRSHNU-GBESFXJTSA-N 2 1 308.510 3.126 20 0 DGADMP CCCCCC[C@H](O)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001560238607 1189296709 /nfs/dbraw/zinc/29/67/09/1189296709.db2.gz SSIPEIOUHRSHNU-GBESFXJTSA-N 2 1 308.510 3.126 20 0 DGADMP CCCCCC[C@H](O)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001560238607 1189296712 /nfs/dbraw/zinc/29/67/12/1189296712.db2.gz SSIPEIOUHRSHNU-GBESFXJTSA-N 2 1 308.510 3.126 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]CC2CCC(C(C)(C)C)CC2)CC1(C)C ZINC001560451768 1189330758 /nfs/dbraw/zinc/33/07/58/1189330758.db2.gz BFGRSMZXRGTJOZ-UHFFFAOYSA-N 2 1 323.569 3.455 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638122 1189354037 /nfs/dbraw/zinc/35/40/37/1189354037.db2.gz ANMNDQLYKJYSQA-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638122 1189354041 /nfs/dbraw/zinc/35/40/41/1189354041.db2.gz ANMNDQLYKJYSQA-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638122 1189354045 /nfs/dbraw/zinc/35/40/45/1189354045.db2.gz ANMNDQLYKJYSQA-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638122 1189354049 /nfs/dbraw/zinc/35/40/49/1189354049.db2.gz ANMNDQLYKJYSQA-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001560661879 1189357020 /nfs/dbraw/zinc/35/70/20/1189357020.db2.gz KIVDFLZDYBCBSL-NVXWUHKLSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001560661879 1189357024 /nfs/dbraw/zinc/35/70/24/1189357024.db2.gz KIVDFLZDYBCBSL-NVXWUHKLSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCCOc2ccccc2C)CC1 ZINC001560680764 1189359045 /nfs/dbraw/zinc/35/90/45/1189359045.db2.gz NRXIGLMGUSQMRC-UHFFFAOYSA-N 2 1 304.478 3.428 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC001560906770 1189403320 /nfs/dbraw/zinc/40/33/20/1189403320.db2.gz SXGCENXKIAGULJ-FQEVSTJZSA-N 2 1 316.489 3.033 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566072004 1189726311 /nfs/dbraw/zinc/72/63/11/1189726311.db2.gz UJFXKILMCYGFDB-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001566940741 1189962679 /nfs/dbraw/zinc/96/26/79/1189962679.db2.gz PSEOOEGYOATHSW-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001566985250 1189981726 /nfs/dbraw/zinc/98/17/26/1189981726.db2.gz SOMRKXUELKLKHG-DAWZGUTISA-N 2 1 323.525 3.068 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001574775012 1191450980 /nfs/dbraw/zinc/45/09/80/1191450980.db2.gz UENNZGWGKQVUSW-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC001574775189 1191451593 /nfs/dbraw/zinc/45/15/93/1191451593.db2.gz XNNLKMPLZBWMRC-SFHVURJKSA-N 2 1 306.494 3.047 20 0 DGADMP CC(C)[C@H]1[N@H+](Cc2nc3c(s2)C[NH2+]CC3)CC12CCCC2 ZINC001575521788 1191489215 /nfs/dbraw/zinc/48/92/15/1191489215.db2.gz UMHXFXZVRVEXCA-MRXNPFEDSA-N 2 1 305.491 3.189 20 0 DGADMP CC(C)[C@H]1[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)CC12CCCC2 ZINC001575521788 1191489216 /nfs/dbraw/zinc/48/92/16/1191489216.db2.gz UMHXFXZVRVEXCA-MRXNPFEDSA-N 2 1 305.491 3.189 20 0 DGADMP CC(C)c1[nH+]c(CNCc2ccc(CC[NH3+])cc2)c2ccccn21 ZINC001575870215 1191514272 /nfs/dbraw/zinc/51/42/72/1191514272.db2.gz JGNUPNNGQMWXDT-UHFFFAOYSA-N 2 1 322.456 3.249 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC001575921211 1191517041 /nfs/dbraw/zinc/51/70/41/1191517041.db2.gz FIDWTQOEURCHFB-PFHKOEEOSA-N 2 1 323.868 3.033 20 0 DGADMP Cc1ccc(C[C@@]2(C)CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC001620467397 1193771505 /nfs/dbraw/zinc/77/15/05/1193771505.db2.gz WMKUMEKHNIPMKX-VQTJNVASSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@@]2(C)CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467397 1193771509 /nfs/dbraw/zinc/77/15/09/1193771509.db2.gz WMKUMEKHNIPMKX-VQTJNVASSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@@]2(C)CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467397 1193771512 /nfs/dbraw/zinc/77/15/12/1193771512.db2.gz WMKUMEKHNIPMKX-VQTJNVASSA-N 2 1 318.505 3.093 20 0 DGADMP COc1ccccc1OCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001620533661 1193776959 /nfs/dbraw/zinc/77/69/59/1193776959.db2.gz WOPQUDQVUPCIQT-UHFFFAOYSA-N 2 1 320.477 3.272 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001620704853 1193792833 /nfs/dbraw/zinc/79/28/33/1193792833.db2.gz HCGGMLRXRXRIPC-KRWDZBQOSA-N 2 1 314.473 3.159 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(Oc4ccccn4)c3)[C@@H]2C1 ZINC001621108015 1193803519 /nfs/dbraw/zinc/80/35/19/1193803519.db2.gz FQMZVKUHLIUISI-QXAKKESOSA-N 2 1 323.440 3.304 20 0 DGADMP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244465 1193821820 /nfs/dbraw/zinc/82/18/20/1193821820.db2.gz NXXZCBJQEPWGIY-DLBZAZTESA-N 3 1 321.553 3.492 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001621244465 1193821822 /nfs/dbraw/zinc/82/18/22/1193821822.db2.gz NXXZCBJQEPWGIY-DLBZAZTESA-N 3 1 321.553 3.492 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244465 1193821828 /nfs/dbraw/zinc/82/18/28/1193821828.db2.gz NXXZCBJQEPWGIY-DLBZAZTESA-N 3 1 321.553 3.492 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493055 1193849431 /nfs/dbraw/zinc/84/94/31/1193849431.db2.gz HALVJUNKVGHMPF-PDOICOKGSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493055 1193849437 /nfs/dbraw/zinc/84/94/37/1193849437.db2.gz HALVJUNKVGHMPF-PDOICOKGSA-N 2 1 316.489 3.384 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001621493055 1193849441 /nfs/dbraw/zinc/84/94/41/1193849441.db2.gz HALVJUNKVGHMPF-PDOICOKGSA-N 2 1 316.489 3.384 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC001649210452 1194104883 /nfs/dbraw/zinc/10/48/83/1194104883.db2.gz RWYNJXCOWZZBDO-UHFFFAOYSA-N 2 1 318.490 3.234 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C1CCCCC1 ZINC001628574888 1194185756 /nfs/dbraw/zinc/18/57/56/1194185756.db2.gz WJKHJKCFGMAJEJ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC001628574888 1194185758 /nfs/dbraw/zinc/18/57/58/1194185758.db2.gz WJKHJKCFGMAJEJ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC001628574888 1194185760 /nfs/dbraw/zinc/18/57/60/1194185760.db2.gz WJKHJKCFGMAJEJ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC001641879202 1194877542 /nfs/dbraw/zinc/87/75/42/1194877542.db2.gz FCRBKICSRRZJQV-AQNXPRMDSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC001641879202 1194877545 /nfs/dbraw/zinc/87/75/45/1194877545.db2.gz FCRBKICSRRZJQV-AQNXPRMDSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC001641879202 1194877549 /nfs/dbraw/zinc/87/75/49/1194877549.db2.gz FCRBKICSRRZJQV-AQNXPRMDSA-N 2 1 318.505 3.346 20 0 DGADMP COc1ccc(C[C@@H]2CC[N@H+]2CCCCn2ccnc2C)cc1 ZINC001641991366 1194882147 /nfs/dbraw/zinc/88/21/47/1194882147.db2.gz DCNPQWRUEHVLIS-SFHVURJKSA-N 2 1 313.445 3.297 20 0 DGADMP COc1ccc(C[C@@H]2CC[N@@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC001641991366 1194882150 /nfs/dbraw/zinc/88/21/50/1194882150.db2.gz DCNPQWRUEHVLIS-SFHVURJKSA-N 2 1 313.445 3.297 20 0 DGADMP COc1ccc(C[C@@H]2CC[N@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC001641991366 1194882153 /nfs/dbraw/zinc/88/21/53/1194882153.db2.gz DCNPQWRUEHVLIS-SFHVURJKSA-N 2 1 313.445 3.297 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001642898960 1194952676 /nfs/dbraw/zinc/95/26/76/1194952676.db2.gz BFCDJZYIUCLPGP-UHFFFAOYSA-N 2 1 318.461 3.319 20 0 DGADMP CCCC[N@@H+](CCOCCOC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001644004103 1195071691 /nfs/dbraw/zinc/07/16/91/1195071691.db2.gz IFYPWMDERAISDY-UHFFFAOYSA-N 2 1 314.514 3.061 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001644041604 1195075947 /nfs/dbraw/zinc/07/59/47/1195075947.db2.gz FWAYHRXVTPBSHJ-PMACEKPBSA-N 2 1 316.489 3.346 20 0 DGADMP Fc1ccc(OC2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000059533570 1195101412 /nfs/dbraw/zinc/10/14/12/1195101412.db2.gz XHJCECGMJQUEFX-UHFFFAOYSA-N 2 1 312.816 3.074 20 0 DGADMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1C ZINC001644332721 1195101792 /nfs/dbraw/zinc/10/17/92/1195101792.db2.gz ORKBZJPAHUYNGG-INIZCTEOSA-N 2 1 311.429 3.109 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001644332682 1195102243 /nfs/dbraw/zinc/10/22/43/1195102243.db2.gz NQGMZNVHUFVXBN-CABCVRRESA-N 2 1 309.404 3.418 20 0 DGADMP Cc1cc([C@@H]2CCCC[N@@H+]2CCCCn2cc[nH+]c2C)[nH]n1 ZINC001644653643 1195124244 /nfs/dbraw/zinc/12/42/44/1195124244.db2.gz NDDBJSIWVBGITE-KRWDZBQOSA-N 2 1 301.438 3.230 20 0 DGADMP Cc1cc([C@@H]2CCCC[N@H+]2CCCCn2cc[nH+]c2C)[nH]n1 ZINC001644653643 1195124246 /nfs/dbraw/zinc/12/42/46/1195124246.db2.gz NDDBJSIWVBGITE-KRWDZBQOSA-N 2 1 301.438 3.230 20 0 DGADMP CC(C)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001645314948 1195174198 /nfs/dbraw/zinc/17/41/98/1195174198.db2.gz PEQTWUYXXKVVBD-FQEVSTJZSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001645314948 1195174200 /nfs/dbraw/zinc/17/42/00/1195174200.db2.gz PEQTWUYXXKVVBD-FQEVSTJZSA-N 2 1 316.489 3.387 20 0 DGADMP C[Si](C)(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001645604627 1195194078 /nfs/dbraw/zinc/19/40/78/1195194078.db2.gz QSLYYPFPLLUCMK-SFHVURJKSA-N 2 1 302.538 3.462 20 0 DGADMP C[Si](C)(C)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001645604627 1195194075 /nfs/dbraw/zinc/19/40/75/1195194075.db2.gz QSLYYPFPLLUCMK-SFHVURJKSA-N 2 1 302.538 3.462 20 0 DGADMP C[Si](C)(C)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001645604627 1195194076 /nfs/dbraw/zinc/19/40/76/1195194076.db2.gz QSLYYPFPLLUCMK-SFHVURJKSA-N 2 1 302.538 3.462 20 0 DGADMP CC[NH+](CC)CCCN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001645676589 1195197714 /nfs/dbraw/zinc/19/77/14/1195197714.db2.gz YJYMHLPOZJVWMO-IBGZPJMESA-N 2 1 317.521 3.172 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001648026537 1195271225 /nfs/dbraw/zinc/27/12/25/1195271225.db2.gz DRFNFOKTRXSLKM-RBUKOAKNSA-N 2 1 307.526 3.057 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCc2ccncc2)CC1 ZINC001648027661 1195271425 /nfs/dbraw/zinc/27/14/25/1195271425.db2.gz UYXLCBMVVCZPHZ-LJQANCHMSA-N 2 1 301.478 3.211 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc(CO)cc2)CC1 ZINC001648027452 1195271607 /nfs/dbraw/zinc/27/16/07/1195271607.db2.gz SMCZVOFEWOYHIK-FQEVSTJZSA-N 2 1 316.489 3.265 20 0 DGADMP CC[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035527 1195272294 /nfs/dbraw/zinc/27/22/94/1195272294.db2.gz LJZTXUJKTTZTKA-SLFFLAALSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035527 1195272298 /nfs/dbraw/zinc/27/22/98/1195272298.db2.gz LJZTXUJKTTZTKA-SLFFLAALSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035527 1195272304 /nfs/dbraw/zinc/27/23/04/1195272304.db2.gz LJZTXUJKTTZTKA-SLFFLAALSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001648035527 1195272308 /nfs/dbraw/zinc/27/23/08/1195272308.db2.gz LJZTXUJKTTZTKA-SLFFLAALSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1CCCCC1 ZINC001648366020 1195295048 /nfs/dbraw/zinc/29/50/48/1195295048.db2.gz BWGOFWIDJQRRIS-QFBILLFUSA-N 2 1 317.477 3.187 20 0 DGADMP CC(C)CCC[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001648775626 1195330112 /nfs/dbraw/zinc/33/01/12/1195330112.db2.gz UDXYWKRNANEKMI-HXUWFJFHSA-N 2 1 317.521 3.391 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](C)C1 ZINC001649488808 1195348579 /nfs/dbraw/zinc/34/85/79/1195348579.db2.gz IEPUVXCAGAVCHW-PKOBYXMFSA-N 2 1 304.478 3.222 20 0 DGADMP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc(C(F)(F)F)c1 ZINC001651379905 1195452242 /nfs/dbraw/zinc/45/22/42/1195452242.db2.gz IFFQVSFHANRLLA-NSHDSACASA-N 2 1 304.356 3.144 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663740 1195493721 /nfs/dbraw/zinc/49/37/21/1195493721.db2.gz KKNTXTJFYGCLAT-HKUYNNGSSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663740 1195493728 /nfs/dbraw/zinc/49/37/28/1195493728.db2.gz KKNTXTJFYGCLAT-HKUYNNGSSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001651663740 1195493735 /nfs/dbraw/zinc/49/37/35/1195493735.db2.gz KKNTXTJFYGCLAT-HKUYNNGSSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)C1 ZINC001651663740 1195493741 /nfs/dbraw/zinc/49/37/41/1195493741.db2.gz KKNTXTJFYGCLAT-HKUYNNGSSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706012 1195500729 /nfs/dbraw/zinc/50/07/29/1195500729.db2.gz HACHEPQDARHUGM-UKRRQHHQSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1N(C)C ZINC001651706012 1195500734 /nfs/dbraw/zinc/50/07/34/1195500734.db2.gz HACHEPQDARHUGM-UKRRQHHQSA-N 2 1 307.457 3.415 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC001651952104 1195527929 /nfs/dbraw/zinc/52/79/29/1195527929.db2.gz FSTUWWBUWHBCJV-FQEVSTJZSA-N 2 1 316.489 3.090 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001652468525 1195602488 /nfs/dbraw/zinc/60/24/88/1195602488.db2.gz KIQKGKHXQLZFPY-LFGUQSLTSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001652468525 1195602494 /nfs/dbraw/zinc/60/24/94/1195602494.db2.gz KIQKGKHXQLZFPY-LFGUQSLTSA-N 2 1 314.473 3.105 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC001652512826 1195610364 /nfs/dbraw/zinc/61/03/64/1195610364.db2.gz MABOMTBGIXJKIZ-SOUVJXGZSA-N 2 1 317.315 3.260 20 0 DGADMP C[N@@H+](CCC1(C(=O)OC(C)(C)C)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC001652560578 1195617882 /nfs/dbraw/zinc/61/78/82/1195617882.db2.gz AOFXUVBIOJCUFY-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CCOC(=O)[C@]12CCC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C2 ZINC001652767019 1195649668 /nfs/dbraw/zinc/64/96/68/1195649668.db2.gz DXSIHSWMUNMJBB-LNLFQRSKSA-N 2 1 324.509 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653263482 1195705129 /nfs/dbraw/zinc/70/51/29/1195705129.db2.gz RULFXRAGBPKGDA-RLLQIKCJSA-N 2 1 323.484 3.480 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCC12CCOCC2 ZINC001653465306 1195725794 /nfs/dbraw/zinc/72/57/94/1195725794.db2.gz COJQYYVIFGSBQA-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001653529705 1195731717 /nfs/dbraw/zinc/73/17/17/1195731717.db2.gz XBSUYFOMJNCXFY-MOPGFXCFSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001653529705 1195731719 /nfs/dbraw/zinc/73/17/19/1195731719.db2.gz XBSUYFOMJNCXFY-MOPGFXCFSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001653529705 1195731720 /nfs/dbraw/zinc/73/17/20/1195731720.db2.gz XBSUYFOMJNCXFY-MOPGFXCFSA-N 2 1 320.521 3.247 20 0 DGADMP CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001653729978 1195746152 /nfs/dbraw/zinc/74/61/52/1195746152.db2.gz DOIHHPPDHOEKPV-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001653729978 1195746154 /nfs/dbraw/zinc/74/61/54/1195746154.db2.gz DOIHHPPDHOEKPV-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001653729978 1195746157 /nfs/dbraw/zinc/74/61/57/1195746157.db2.gz DOIHHPPDHOEKPV-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP Cc1cc(C)c([C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C)c1 ZINC001653795279 1195750639 /nfs/dbraw/zinc/75/06/39/1195750639.db2.gz CXCKGQZQQKEELH-IBGZPJMESA-N 2 1 319.537 3.488 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000069447845 1195795392 /nfs/dbraw/zinc/79/53/92/1195795392.db2.gz JTSBMUUQTBFMCV-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000069447845 1195795396 /nfs/dbraw/zinc/79/53/96/1195795396.db2.gz JTSBMUUQTBFMCV-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000069447845 1195795400 /nfs/dbraw/zinc/79/54/00/1195795400.db2.gz JTSBMUUQTBFMCV-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540710 1195815678 /nfs/dbraw/zinc/81/56/78/1195815678.db2.gz IUIMJPSSGHXHDY-NXOAAHMSSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540710 1195815680 /nfs/dbraw/zinc/81/56/80/1195815680.db2.gz IUIMJPSSGHXHDY-NXOAAHMSSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540710 1195815683 /nfs/dbraw/zinc/81/56/83/1195815683.db2.gz IUIMJPSSGHXHDY-NXOAAHMSSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC001654540710 1195815685 /nfs/dbraw/zinc/81/56/85/1195815685.db2.gz IUIMJPSSGHXHDY-NXOAAHMSSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001654576049 1195819089 /nfs/dbraw/zinc/81/90/89/1195819089.db2.gz RWEPGTUATTUCSN-ULQDDVLXSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001654576049 1195819093 /nfs/dbraw/zinc/81/90/93/1195819093.db2.gz RWEPGTUATTUCSN-ULQDDVLXSA-N 2 1 306.400 3.063 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001654576049 1195819096 /nfs/dbraw/zinc/81/90/96/1195819096.db2.gz RWEPGTUATTUCSN-ULQDDVLXSA-N 2 1 306.400 3.063 20 0 DGADMP Cc1cccc([C@@H](C)[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001654774766 1195838559 /nfs/dbraw/zinc/83/85/59/1195838559.db2.gz OADPCLGXAFVYAH-MRXNPFEDSA-N 2 1 302.462 3.289 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](C)CCC[NH+](CC)CC)c12 ZINC001654896462 1195852216 /nfs/dbraw/zinc/85/22/16/1195852216.db2.gz UGFVTEWBHBQIBJ-ZDUSSCGKSA-N 2 1 303.454 3.443 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001655277974 1195899180 /nfs/dbraw/zinc/89/91/80/1195899180.db2.gz IAENSGLWTJNSGE-UAGQMJEPSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001655277974 1195899183 /nfs/dbraw/zinc/89/91/83/1195899183.db2.gz IAENSGLWTJNSGE-UAGQMJEPSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001655277974 1195899186 /nfs/dbraw/zinc/89/91/86/1195899186.db2.gz IAENSGLWTJNSGE-UAGQMJEPSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001655277974 1195899188 /nfs/dbraw/zinc/89/91/88/1195899188.db2.gz IAENSGLWTJNSGE-UAGQMJEPSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001655291687 1195900106 /nfs/dbraw/zinc/90/01/06/1195900106.db2.gz WJHDWRSDXVYEKI-ZACQAIPSSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001655291687 1195900110 /nfs/dbraw/zinc/90/01/10/1195900110.db2.gz WJHDWRSDXVYEKI-ZACQAIPSSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001655463487 1195920959 /nfs/dbraw/zinc/92/09/59/1195920959.db2.gz OZQYDDVSNZHRGG-HNNXBMFYSA-N 2 1 315.848 3.488 20 0 DGADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001655597133 1195937725 /nfs/dbraw/zinc/93/77/25/1195937725.db2.gz KNUSLFLVTATSMQ-VUQTYRPGSA-N 2 1 318.436 3.072 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC001655618038 1195942186 /nfs/dbraw/zinc/94/21/86/1195942186.db2.gz UTRYIZZYBZFDLE-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001655724812 1195956397 /nfs/dbraw/zinc/95/63/97/1195956397.db2.gz IOGLAZRDCZZRSG-HKUYNNGSSA-N 2 1 312.461 3.143 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC001655725228 1195956438 /nfs/dbraw/zinc/95/64/38/1195956438.db2.gz RWNNQHJDCXQSOD-FUHWJXTLSA-N 2 1 312.461 3.143 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C2CCCCC2)n1 ZINC001655725501 1195956666 /nfs/dbraw/zinc/95/66/66/1195956666.db2.gz YWQQYIHIZCPLSO-ROUUACIJSA-N 2 1 318.509 3.430 20 0 DGADMP CCCn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC001655761012 1195960871 /nfs/dbraw/zinc/96/08/71/1195960871.db2.gz ARYQMHOSTJXEHP-UHFFFAOYSA-N 2 1 304.482 3.098 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001655886547 1195974131 /nfs/dbraw/zinc/97/41/31/1195974131.db2.gz OKKFBPZAXDUJKO-IBGZPJMESA-N 2 1 313.445 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001655886547 1195974133 /nfs/dbraw/zinc/97/41/33/1195974133.db2.gz OKKFBPZAXDUJKO-IBGZPJMESA-N 2 1 313.445 3.435 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2nc3c(s2)CCCC3)C1 ZINC001656062167 1195992988 /nfs/dbraw/zinc/99/29/88/1195992988.db2.gz OGTWCPIGDINQET-GASCZTMLSA-N 2 1 321.534 3.480 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001656068879 1195993989 /nfs/dbraw/zinc/99/39/89/1195993989.db2.gz UDLFFJUKXCOSIL-ZBFHGGJFSA-N 2 1 318.461 3.143 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001656068879 1195993992 /nfs/dbraw/zinc/99/39/92/1195993992.db2.gz UDLFFJUKXCOSIL-ZBFHGGJFSA-N 2 1 318.461 3.143 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001656068878 1195994242 /nfs/dbraw/zinc/99/42/42/1195994242.db2.gz UDLFFJUKXCOSIL-HOCLYGCPSA-N 2 1 318.461 3.143 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001656068878 1195994243 /nfs/dbraw/zinc/99/42/43/1195994243.db2.gz UDLFFJUKXCOSIL-HOCLYGCPSA-N 2 1 318.461 3.143 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001656082276 1195997120 /nfs/dbraw/zinc/99/71/20/1195997120.db2.gz ZZOOADHUHPJUCW-AWEZNQCLSA-N 2 1 306.498 3.076 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001656500830 1196044552 /nfs/dbraw/zinc/04/45/52/1196044552.db2.gz OIKVHRAKTCODQV-YOEHRIQHSA-N 2 1 305.466 3.079 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CCCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC001656633974 1196056548 /nfs/dbraw/zinc/05/65/48/1196056548.db2.gz XOWXZPPSJHODGK-PBHICJAKSA-N 2 1 316.493 3.478 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccc2O1 ZINC001656718297 1196065093 /nfs/dbraw/zinc/06/50/93/1196065093.db2.gz QJMSASGAXGAWOM-QAPCUYQASA-N 2 1 314.473 3.222 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001656802020 1196072699 /nfs/dbraw/zinc/07/26/99/1196072699.db2.gz LHKJXBCWSGLSFD-BZSNNMDCSA-N 2 1 314.473 3.159 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC001657229615 1196120693 /nfs/dbraw/zinc/12/06/93/1196120693.db2.gz PDEQGOPBVBCAGW-YLJYHZDGSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC001657229615 1196120694 /nfs/dbraw/zinc/12/06/94/1196120694.db2.gz PDEQGOPBVBCAGW-YLJYHZDGSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC001657229615 1196120695 /nfs/dbraw/zinc/12/06/95/1196120695.db2.gz PDEQGOPBVBCAGW-YLJYHZDGSA-N 2 1 314.473 3.452 20 0 DGADMP Cc1cn2c(C[NH2+]CCCCn3cc[nH+]c3C)c(C)nc2s1 ZINC001657278828 1196126758 /nfs/dbraw/zinc/12/67/58/1196126758.db2.gz BYAKYVKQURMDKO-UHFFFAOYSA-N 2 1 317.462 3.088 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(C)c2C)C1 ZINC001657342090 1196131809 /nfs/dbraw/zinc/13/18/09/1196131809.db2.gz JMRYOFWUQIVQSH-KRWDZBQOSA-N 2 1 310.507 3.298 20 0 DGADMP COc1ccsc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001657766166 1196176452 /nfs/dbraw/zinc/17/64/52/1196176452.db2.gz KYKVTQRPBLHUNT-KBPBESRZSA-N 2 1 308.491 3.499 20 0 DGADMP COc1ccsc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001657766166 1196176449 /nfs/dbraw/zinc/17/64/49/1196176449.db2.gz KYKVTQRPBLHUNT-KBPBESRZSA-N 2 1 308.491 3.499 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CCC(C)(C)C2)c2ccccn21 ZINC001658136903 1196215830 /nfs/dbraw/zinc/21/58/30/1196215830.db2.gz UIGFIRYTERJYLB-UHFFFAOYSA-N 2 1 314.477 3.279 20 0 DGADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCC(C)(C)C2)c2ccccn21 ZINC001658136903 1196215838 /nfs/dbraw/zinc/21/58/38/1196215838.db2.gz UIGFIRYTERJYLB-UHFFFAOYSA-N 2 1 314.477 3.279 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001658262143 1196232705 /nfs/dbraw/zinc/23/27/05/1196232705.db2.gz QVOQHNMMCAAHJX-XYJFISCASA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001658262143 1196232712 /nfs/dbraw/zinc/23/27/12/1196232712.db2.gz QVOQHNMMCAAHJX-XYJFISCASA-N 2 1 304.478 3.336 20 0 DGADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c(OC(F)F)cc1C ZINC001658362368 1196246580 /nfs/dbraw/zinc/24/65/80/1196246580.db2.gz BXWPTDZXJJPFAE-ZDUSSCGKSA-N 2 1 300.393 3.335 20 0 DGADMP Cc1cccc2cc(C[NH2+]CCc3c[nH+]cn3C)c(Cl)nc12 ZINC001658363071 1196246862 /nfs/dbraw/zinc/24/68/62/1196246862.db2.gz UGZVYIVRCWEFHY-UHFFFAOYSA-N 2 1 314.820 3.262 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC001658392993 1196250762 /nfs/dbraw/zinc/25/07/62/1196250762.db2.gz SZJOKLJYOWCISU-ZLQZBKBYSA-N 2 1 320.452 3.272 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC001658445034 1196257520 /nfs/dbraw/zinc/25/75/20/1196257520.db2.gz HEHWHCXWLXHVHU-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC001658445034 1196257524 /nfs/dbraw/zinc/25/75/24/1196257524.db2.gz HEHWHCXWLXHVHU-GOSISDBHSA-N 2 1 302.462 3.454 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)[C@H]1Sc1ccccc1 ZINC001658642348 1196283223 /nfs/dbraw/zinc/28/32/23/1196283223.db2.gz UQEHAZGOEDCRMN-DZOHQFGASA-N 2 1 322.518 3.255 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC001658776893 1196299902 /nfs/dbraw/zinc/29/99/02/1196299902.db2.gz KJRNKOSSPBQJFF-HUUCEWRRSA-N 2 1 319.493 3.117 20 0 DGADMP CCC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001658851437 1196310255 /nfs/dbraw/zinc/31/02/55/1196310255.db2.gz WYEBMANTVXWTKK-RCCFBDPRSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001659007561 1196332336 /nfs/dbraw/zinc/33/23/36/1196332336.db2.gz APZKLUIGGAAENL-LJQANCHMSA-N 2 1 324.509 3.162 20 0 DGADMP CC1(C)CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC(C)(C)[NH2+]1 ZINC001659114662 1196346179 /nfs/dbraw/zinc/34/61/79/1196346179.db2.gz IDNSTJQTYNKJNT-UHFFFAOYSA-N 2 1 302.422 3.022 20 0 DGADMP CC1(C)CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC(C)(C)[NH2+]1 ZINC001659114662 1196346189 /nfs/dbraw/zinc/34/61/89/1196346189.db2.gz IDNSTJQTYNKJNT-UHFFFAOYSA-N 2 1 302.422 3.022 20 0 DGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001659118005 1196346768 /nfs/dbraw/zinc/34/67/68/1196346768.db2.gz GCTBHRINNROLSO-JDIZFGSQSA-N 2 1 308.416 3.216 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(C)n1 ZINC001659733711 1196409706 /nfs/dbraw/zinc/40/97/06/1196409706.db2.gz HPVOMDASSHAKRH-QAPCUYQASA-N 2 1 306.498 3.154 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(C)n1 ZINC001659733711 1196409708 /nfs/dbraw/zinc/40/97/08/1196409708.db2.gz HPVOMDASSHAKRH-QAPCUYQASA-N 2 1 306.498 3.154 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC001659734196 1196409846 /nfs/dbraw/zinc/40/98/46/1196409846.db2.gz SWDFDDDROIHNPP-VQIMIIECSA-N 2 1 303.494 3.375 20 0 DGADMP CNc1ccc(C)cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001659797338 1196415909 /nfs/dbraw/zinc/41/59/09/1196415909.db2.gz COCZGVHFOGQGMI-UHFFFAOYSA-N 2 1 301.478 3.487 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@H]1CC ZINC001660053294 1196440634 /nfs/dbraw/zinc/44/06/34/1196440634.db2.gz FKVITMGIBVJKOS-UAFMIMERSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@H]1CC ZINC001660053294 1196440638 /nfs/dbraw/zinc/44/06/38/1196440638.db2.gz FKVITMGIBVJKOS-UAFMIMERSA-N 2 1 316.489 3.302 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660126225 1196448855 /nfs/dbraw/zinc/44/88/55/1196448855.db2.gz BIJQSGLPKPHKMD-CGTJXYLNSA-N 2 1 324.509 3.351 20 0 DGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660126225 1196448858 /nfs/dbraw/zinc/44/88/58/1196448858.db2.gz BIJQSGLPKPHKMD-CGTJXYLNSA-N 2 1 324.509 3.351 20 0 DGADMP COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1C ZINC001660233591 1196460410 /nfs/dbraw/zinc/46/04/10/1196460410.db2.gz LHMSOOCUFGTLDA-HNNXBMFYSA-N 2 1 311.429 3.109 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1N(C)C ZINC001660266908 1196464294 /nfs/dbraw/zinc/46/42/94/1196464294.db2.gz YBEGVWCQFIQBNB-CQSZACIVSA-N 2 1 319.468 3.417 20 0 DGADMP Fc1ccccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443431 1196480897 /nfs/dbraw/zinc/48/08/97/1196480897.db2.gz BFCWURLAWGOAOB-GOSISDBHSA-N 2 1 312.432 3.480 20 0 DGADMP Fc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000076443431 1196480903 /nfs/dbraw/zinc/48/09/03/1196480903.db2.gz BFCWURLAWGOAOB-GOSISDBHSA-N 2 1 312.432 3.480 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC001660949666 1196545134 /nfs/dbraw/zinc/54/51/34/1196545134.db2.gz YKXMRBVKWVHXHL-AOMKIAJQSA-N 2 1 322.518 3.168 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC000077434131 1196595556 /nfs/dbraw/zinc/59/55/56/1196595556.db2.gz LSZHMDRFUYLRRZ-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1CCCCC1 ZINC001662030863 1196676112 /nfs/dbraw/zinc/67/61/12/1196676112.db2.gz UVEINWIKWGYEBD-FQEVSTJZSA-N 2 1 316.489 3.313 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2nccn21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188194 1196692315 /nfs/dbraw/zinc/69/23/15/1196692315.db2.gz PBZDGFGVHKAPKR-CVEARBPZSA-N 2 1 312.461 3.077 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C/c1c(C)cc(C)cc1C ZINC001662788292 1196752094 /nfs/dbraw/zinc/75/20/94/1196752094.db2.gz NLKYGYIUJVFGSL-CSHXORCISA-N 2 1 318.505 3.307 20 0 DGADMP CC[C@H](C)C[N@@H+](CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001663403414 1196858218 /nfs/dbraw/zinc/85/82/18/1196858218.db2.gz GGOWCJMVPXKZIU-ZDUSSCGKSA-N 2 1 305.466 3.105 20 0 DGADMP C[NH+]1CCN(c2ccc(NCC3(C)CC3)c3c[nH+]ccc32)CC1 ZINC001663479521 1196882106 /nfs/dbraw/zinc/88/21/06/1196882106.db2.gz MXIBABRQMSGVMY-UHFFFAOYSA-N 2 1 310.445 3.199 20 0 DGADMP Cn1c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc2ccccc21 ZINC001664612146 1197020873 /nfs/dbraw/zinc/02/08/73/1197020873.db2.gz TURUBEDBZINGGK-GOSISDBHSA-N 2 1 311.473 3.342 20 0 DGADMP C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001665546990 1197149757 /nfs/dbraw/zinc/14/97/57/1197149757.db2.gz WKFCTEZVPJFVFB-HNNXBMFYSA-N 2 1 315.848 3.488 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC001665673557 1197169054 /nfs/dbraw/zinc/16/90/54/1197169054.db2.gz YTICBKHHQCFAGO-GJZGRUSLSA-N 2 1 304.400 3.383 20 0 DGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1 ZINC001665937955 1197219235 /nfs/dbraw/zinc/21/92/35/1197219235.db2.gz USDYQDNQZRJHQF-VEHVJDRKSA-N 2 1 314.473 3.117 20 0 DGADMP CCc1nc(NCC2([N@H+](C)Cc3ccccc3)CCC2)cc(C)[nH+]1 ZINC000386849644 1197707584 /nfs/dbraw/zinc/70/75/84/1197707584.db2.gz ZCRPXPJIKQQHDM-UHFFFAOYSA-N 2 1 324.472 3.236 20 0 DGADMP CCc1nc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc(C)[nH+]1 ZINC000386849644 1197707593 /nfs/dbraw/zinc/70/75/93/1197707593.db2.gz ZCRPXPJIKQQHDM-UHFFFAOYSA-N 2 1 324.472 3.236 20 0 DGADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000386737681 1197707744 /nfs/dbraw/zinc/70/77/44/1197707744.db2.gz XIKKHBYUVXRUAQ-PKOBYXMFSA-N 2 1 315.505 3.161 20 0 DGADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000088696103 1197769823 /nfs/dbraw/zinc/76/98/23/1197769823.db2.gz QKYKUGPKFCKTCY-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000088696103 1197769824 /nfs/dbraw/zinc/76/98/24/1197769824.db2.gz QKYKUGPKFCKTCY-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000088696103 1197769826 /nfs/dbraw/zinc/76/98/26/1197769826.db2.gz QKYKUGPKFCKTCY-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000088696103 1197769832 /nfs/dbraw/zinc/76/98/32/1197769832.db2.gz QKYKUGPKFCKTCY-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000088696103 1197769833 /nfs/dbraw/zinc/76/98/33/1197769833.db2.gz QKYKUGPKFCKTCY-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP c1csc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103173854 1199482968 /nfs/dbraw/zinc/48/29/68/1199482968.db2.gz ZYZVNEIKJIFTCZ-QGZVFWFLSA-N 2 1 300.471 3.402 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000103341390 1199490289 /nfs/dbraw/zinc/49/02/89/1199490289.db2.gz GZUGJRCQMQXYFB-UHFFFAOYSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(C)c1OC(F)F ZINC000108428094 1199603952 /nfs/dbraw/zinc/60/39/52/1199603952.db2.gz HZKVDRDDGZAECV-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OCC(C)C ZINC000108428865 1199604856 /nfs/dbraw/zinc/60/48/56/1199604856.db2.gz VPQNRBFIAYOAPR-KRWDZBQOSA-N 2 1 320.477 3.161 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000304617994 1199669702 /nfs/dbraw/zinc/66/97/02/1199669702.db2.gz XMJDZZHSTBLLNW-SGZDXZSOSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1n[nH]c(C)c1CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309716509 1199708829 /nfs/dbraw/zinc/70/88/29/1199708829.db2.gz KYGBWCXXWBYHQY-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309716509 1199708835 /nfs/dbraw/zinc/70/88/35/1199708835.db2.gz KYGBWCXXWBYHQY-LJQANCHMSA-N 2 1 312.461 3.028 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)OCO2 ZINC000316772895 1199816959 /nfs/dbraw/zinc/81/69/59/1199816959.db2.gz OVBHAUSASLWPJF-OHRKKDJYSA-N 2 1 302.418 3.081 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCO2 ZINC000316772895 1199816962 /nfs/dbraw/zinc/81/69/62/1199816962.db2.gz OVBHAUSASLWPJF-OHRKKDJYSA-N 2 1 302.418 3.081 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000319694598 1199840202 /nfs/dbraw/zinc/84/02/02/1199840202.db2.gz RZEHTCVDIHGIRM-RDTXWAMCSA-N 2 1 315.848 3.449 20 0 DGADMP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753993935 1200063526 /nfs/dbraw/zinc/06/35/26/1200063526.db2.gz ZBZHOPVMLKMAJZ-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120065228 1200131050 /nfs/dbraw/zinc/13/10/50/1200131050.db2.gz CFRWXJNLOAGVFX-XLIONFOSSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CC1CCCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120641971 1200163024 /nfs/dbraw/zinc/16/30/24/1200163024.db2.gz IATMVDNPBDVUHY-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000120970416 1200187359 /nfs/dbraw/zinc/18/73/59/1200187359.db2.gz HBYVCEGSLHMCAE-OAHLLOKOSA-N 2 1 312.461 3.382 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000123651202 1200284495 /nfs/dbraw/zinc/28/44/95/1200284495.db2.gz HZLAYJXVWCYBDP-AWEZNQCLSA-N 2 1 317.246 3.393 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755024963 1200587403 /nfs/dbraw/zinc/58/74/03/1200587403.db2.gz LZTBJVNQYRPGKS-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755024963 1200587410 /nfs/dbraw/zinc/58/74/10/1200587410.db2.gz LZTBJVNQYRPGKS-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024963 1200587418 /nfs/dbraw/zinc/58/74/18/1200587418.db2.gz LZTBJVNQYRPGKS-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000128607190 1200785331 /nfs/dbraw/zinc/78/53/31/1200785331.db2.gz KVGGIRWJLRMOHE-ONEGZZNKSA-N 2 1 320.452 3.318 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1F ZINC000152750880 1202595099 /nfs/dbraw/zinc/59/50/99/1202595099.db2.gz WXYUHMHRVLTUQJ-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC=C(C)C ZINC001713002272 1202609526 /nfs/dbraw/zinc/60/95/26/1202609526.db2.gz JCTIACHOBPFANZ-ZWKOTPCHSA-N 2 1 323.525 3.044 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000236807117 1202625900 /nfs/dbraw/zinc/62/59/00/1202625900.db2.gz ZUEOBFFQJCOGKI-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000236866942 1202630841 /nfs/dbraw/zinc/63/08/41/1202630841.db2.gz FTNWPNFQIXLABF-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000236866942 1202630842 /nfs/dbraw/zinc/63/08/42/1202630842.db2.gz FTNWPNFQIXLABF-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000237199392 1202655798 /nfs/dbraw/zinc/65/57/98/1202655798.db2.gz JTDAMEMKKHSAAI-UHFFFAOYSA-N 2 1 314.832 3.070 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1OC(F)F)C[NH+]1CCCCC1 ZINC000237556901 1202677794 /nfs/dbraw/zinc/67/77/94/1202677794.db2.gz NTOCADBHUDKXPU-CQSZACIVSA-N 2 1 312.404 3.500 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000237698003 1202690077 /nfs/dbraw/zinc/69/00/77/1202690077.db2.gz KFFWPYUYGNYUJJ-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000237858321 1202719179 /nfs/dbraw/zinc/71/91/79/1202719179.db2.gz SEZHTSSSHYYNOT-KRWDZBQOSA-N 2 1 315.486 3.106 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000237858321 1202719181 /nfs/dbraw/zinc/71/91/81/1202719181.db2.gz SEZHTSSSHYYNOT-KRWDZBQOSA-N 2 1 315.486 3.106 20 0 DGADMP CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714408191 1202916773 /nfs/dbraw/zinc/91/67/73/1202916773.db2.gz PKLALZULPUIGQT-IRXDYDNUSA-N 2 1 323.525 3.068 20 0 DGADMP CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723101876 1203957961 /nfs/dbraw/zinc/95/79/61/1203957961.db2.gz YDKYSEVKTWNBKY-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001734249089 1205349225 /nfs/dbraw/zinc/34/92/25/1205349225.db2.gz CGZHHYSJTZWUOV-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001734249091 1205349505 /nfs/dbraw/zinc/34/95/05/1205349505.db2.gz CGZHHYSJTZWUOV-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000235366944 1202604323 /nfs/dbraw/zinc/60/43/23/1202604323.db2.gz VDVFHFMGXOYZDF-XUJVJEKNSA-N 2 1 311.267 3.049 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000235366944 1202604324 /nfs/dbraw/zinc/60/43/24/1202604324.db2.gz VDVFHFMGXOYZDF-XUJVJEKNSA-N 2 1 311.267 3.049 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1Cl ZINC001143372153 1081584148 /nfs/dbraw/zinc/58/41/48/1081584148.db2.gz BJBIMHWUNOMJBN-UHFFFAOYSA-N 2 1 312.816 3.015 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(N3CCCc4ccc(C[NH3+])nc43)cc2)C1 ZINC001169591928 1081600395 /nfs/dbraw/zinc/60/03/95/1081600395.db2.gz PWPXHJVIPKWGEN-KRWDZBQOSA-N 2 1 322.456 3.044 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(OCc3ccccc3F)CC2)C1 ZINC001208606363 1081636864 /nfs/dbraw/zinc/63/68/64/1081636864.db2.gz FEKNTKRDBKRGCO-INIZCTEOSA-N 2 1 320.452 3.149 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001167254920 1081851511 /nfs/dbraw/zinc/85/15/11/1081851511.db2.gz BASNUZPIOUAYGO-HKUYNNGSSA-N 2 1 308.510 3.245 20 0 DGADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)C1 ZINC001167280974 1081895484 /nfs/dbraw/zinc/89/54/84/1081895484.db2.gz KFWXSIBSPNKMJE-FQEVSTJZSA-N 2 1 307.441 3.318 20 0 DGADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001167280974 1081895490 /nfs/dbraw/zinc/89/54/90/1081895490.db2.gz KFWXSIBSPNKMJE-FQEVSTJZSA-N 2 1 307.441 3.318 20 0 DGADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001167280974 1081895496 /nfs/dbraw/zinc/89/54/96/1081895496.db2.gz KFWXSIBSPNKMJE-FQEVSTJZSA-N 2 1 307.441 3.318 20 0 DGADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000399028326 1082259191 /nfs/dbraw/zinc/25/91/91/1082259191.db2.gz KQSGGKZNELDBNW-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP CCC[NH+](CCC)CC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411871 1082370068 /nfs/dbraw/zinc/37/00/68/1082370068.db2.gz NDNJUHKLNKVRHD-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP Cn1ccc2c[nH+]c(NC3CC(C)(C)[NH+](C)C(C)(C)C3)nc21 ZINC001170453093 1082479820 /nfs/dbraw/zinc/47/98/20/1082479820.db2.gz JZWKUVSINCKCEF-UHFFFAOYSA-N 2 1 301.438 3.032 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC23CCOCC3)C[C@@H]1C ZINC001167586629 1082566598 /nfs/dbraw/zinc/56/65/98/1082566598.db2.gz PBJKYWRLVHFNAH-KSZLIROESA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC23CCOCC3)C[C@@H]1C ZINC001167586629 1082566603 /nfs/dbraw/zinc/56/66/03/1082566603.db2.gz PBJKYWRLVHFNAH-KSZLIROESA-N 2 1 308.510 3.388 20 0 DGADMP COc1cc2[nH+]c(NCC(C)(C)C[NH+](C)C)ccc2c(OC)c1 ZINC001157948700 1082576381 /nfs/dbraw/zinc/57/63/81/1082576381.db2.gz MKLIMQGSEIPQDZ-UHFFFAOYSA-N 2 1 317.433 3.252 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001167648707 1082643154 /nfs/dbraw/zinc/64/31/54/1082643154.db2.gz XFCVXOBMVSROEM-IPMKNSEASA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001167648707 1082643159 /nfs/dbraw/zinc/64/31/59/1082643159.db2.gz XFCVXOBMVSROEM-IPMKNSEASA-N 2 1 302.462 3.180 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001167648707 1082643163 /nfs/dbraw/zinc/64/31/63/1082643163.db2.gz XFCVXOBMVSROEM-IPMKNSEASA-N 2 1 302.462 3.180 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000689855589 1082736357 /nfs/dbraw/zinc/73/63/57/1082736357.db2.gz YFFZTSYBIAZMDS-HOJAQTOUSA-N 2 1 316.489 3.303 20 0 DGADMP Cn1c[nH+]cc1NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170590288 1082777084 /nfs/dbraw/zinc/77/70/84/1082777084.db2.gz UJLJHTKHFCWWNB-ZDUSSCGKSA-N 2 1 313.232 3.442 20 0 DGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107167 1082819978 /nfs/dbraw/zinc/81/99/78/1082819978.db2.gz YFCWRVWWAAIVLM-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132110902 1082820846 /nfs/dbraw/zinc/82/08/46/1082820846.db2.gz MZGNWMGPCYVTNG-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110902 1082820851 /nfs/dbraw/zinc/82/08/51/1082820851.db2.gz MZGNWMGPCYVTNG-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110902 1082820855 /nfs/dbraw/zinc/82/08/55/1082820855.db2.gz MZGNWMGPCYVTNG-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1NCCC2 ZINC001204615740 1082913483 /nfs/dbraw/zinc/91/34/83/1082913483.db2.gz KWNMVAXIPUFPQX-SFHVURJKSA-N 2 1 301.478 3.351 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1NCCC2 ZINC001204615740 1082913486 /nfs/dbraw/zinc/91/34/86/1082913486.db2.gz KWNMVAXIPUFPQX-SFHVURJKSA-N 2 1 301.478 3.351 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2c1NCCC2 ZINC001204615740 1082913489 /nfs/dbraw/zinc/91/34/89/1082913489.db2.gz KWNMVAXIPUFPQX-SFHVURJKSA-N 2 1 301.478 3.351 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2c1NCCC2 ZINC001204615740 1082913492 /nfs/dbraw/zinc/91/34/92/1082913492.db2.gz KWNMVAXIPUFPQX-SFHVURJKSA-N 2 1 301.478 3.351 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132491939 1082926314 /nfs/dbraw/zinc/92/63/14/1082926314.db2.gz ACBDDFJVPOUWGV-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748033 1083278831 /nfs/dbraw/zinc/27/88/31/1083278831.db2.gz WZILJFIWOPSNOL-AJYBTWMASA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748033 1083278834 /nfs/dbraw/zinc/27/88/34/1083278834.db2.gz WZILJFIWOPSNOL-AJYBTWMASA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748033 1083278838 /nfs/dbraw/zinc/27/88/38/1083278838.db2.gz WZILJFIWOPSNOL-AJYBTWMASA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748033 1083278842 /nfs/dbraw/zinc/27/88/42/1083278842.db2.gz WZILJFIWOPSNOL-AJYBTWMASA-N 2 1 320.521 3.244 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)C ZINC001134772822 1083329537 /nfs/dbraw/zinc/32/95/37/1083329537.db2.gz HXNCGIQNNARDLK-HOTGVXAUSA-N 2 1 313.530 3.026 20 0 DGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772446 1083329707 /nfs/dbraw/zinc/32/97/07/1083329707.db2.gz DHKAJJQPGAJTTF-GJZGRUSLSA-N 2 1 313.530 3.026 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)Cc1c(Cl)ncn1CC ZINC001181514378 1083481778 /nfs/dbraw/zinc/48/17/78/1083481778.db2.gz HIHHIKXZZVDQOB-UHFFFAOYSA-N 2 1 323.872 3.228 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001181868293 1083563187 /nfs/dbraw/zinc/56/31/87/1083563187.db2.gz FPLOTRRNYXEQKU-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001181868293 1083563192 /nfs/dbraw/zinc/56/31/92/1083563192.db2.gz FPLOTRRNYXEQKU-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001181868293 1083563198 /nfs/dbraw/zinc/56/31/98/1083563198.db2.gz FPLOTRRNYXEQKU-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329271 1083575408 /nfs/dbraw/zinc/57/54/08/1083575408.db2.gz GMGXOIZQABGELV-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329271 1083575420 /nfs/dbraw/zinc/57/54/20/1083575420.db2.gz GMGXOIZQABGELV-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP Cc1nc(N)ccc1CNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001167786098 1083933197 /nfs/dbraw/zinc/93/31/97/1083933197.db2.gz JKBYJZZASVUDBK-MRXNPFEDSA-N 2 1 311.433 3.136 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001167786098 1083933206 /nfs/dbraw/zinc/93/32/06/1083933206.db2.gz JKBYJZZASVUDBK-MRXNPFEDSA-N 2 1 311.433 3.136 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001167786098 1083933219 /nfs/dbraw/zinc/93/32/19/1083933219.db2.gz JKBYJZZASVUDBK-MRXNPFEDSA-N 2 1 311.433 3.136 20 0 DGADMP Cc1noc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)C2)n1 ZINC001183379215 1083942157 /nfs/dbraw/zinc/94/21/57/1083942157.db2.gz KGDYDANPVWPQNK-DQPZFDDXSA-N 2 1 318.465 3.011 20 0 DGADMP Cc1noc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)C2)n1 ZINC001183379215 1083942164 /nfs/dbraw/zinc/94/21/64/1083942164.db2.gz KGDYDANPVWPQNK-DQPZFDDXSA-N 2 1 318.465 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCN1c1cc[nH+]cc1 ZINC001183550652 1083968917 /nfs/dbraw/zinc/96/89/17/1083968917.db2.gz KNQNALPKSFZVRA-RXYHWBRQSA-N 2 1 311.404 3.445 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001167834188 1084147845 /nfs/dbraw/zinc/14/78/45/1084147845.db2.gz ITZJHTYDHQFNMG-QGZVFWFLSA-N 2 1 320.477 3.172 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001167835720 1084158504 /nfs/dbraw/zinc/15/85/04/1084158504.db2.gz UEFYODOERMXJCU-OKZBNKHCSA-N 2 1 313.505 3.005 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001167835720 1084158508 /nfs/dbraw/zinc/15/85/08/1084158508.db2.gz UEFYODOERMXJCU-OKZBNKHCSA-N 2 1 313.505 3.005 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001167841894 1084182741 /nfs/dbraw/zinc/18/27/41/1084182741.db2.gz UDKVPUDNULRNOH-SJORKVTESA-N 2 1 305.466 3.045 20 0 DGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167842009 1084184348 /nfs/dbraw/zinc/18/43/48/1084184348.db2.gz VRSXLJAITVXJQY-XSLAGTTESA-N 2 1 324.509 3.161 20 0 DGADMP Cc1c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305501 1084238594 /nfs/dbraw/zinc/23/85/94/1084238594.db2.gz SAXIHZIGKJYNLC-SMDDNHRTSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305501 1084238601 /nfs/dbraw/zinc/23/86/01/1084238601.db2.gz SAXIHZIGKJYNLC-SMDDNHRTSA-N 2 1 300.368 3.431 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001268195031 1084304296 /nfs/dbraw/zinc/30/42/96/1084304296.db2.gz YKWQOPVJXYCUNM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001268195031 1084304308 /nfs/dbraw/zinc/30/43/08/1084304308.db2.gz YKWQOPVJXYCUNM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268195031 1084304317 /nfs/dbraw/zinc/30/43/17/1084304317.db2.gz YKWQOPVJXYCUNM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP COc1c(F)cccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143533215 1084608160 /nfs/dbraw/zinc/60/81/60/1084608160.db2.gz SJWBTAKOYDZQLV-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Fc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958655 1085623038 /nfs/dbraw/zinc/62/30/38/1085623038.db2.gz HJNBKFQFUNNFGZ-AYHJJNSGSA-N 2 1 306.400 3.460 20 0 DGADMP Fc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958655 1085623041 /nfs/dbraw/zinc/62/30/41/1085623041.db2.gz HJNBKFQFUNNFGZ-AYHJJNSGSA-N 2 1 306.400 3.460 20 0 DGADMP [NH3+]Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960704 1085680712 /nfs/dbraw/zinc/68/07/12/1085680712.db2.gz AFCRFGJGOJWYOJ-XYPWUTKMSA-N 2 1 310.445 3.073 20 0 DGADMP [NH3+]Cc1cc2ccncc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972744 1085912561 /nfs/dbraw/zinc/91/25/61/1085912561.db2.gz AQEVFCJLGDYNMD-SJPCQFCGSA-N 2 1 310.445 3.073 20 0 DGADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167973103 1085914176 /nfs/dbraw/zinc/91/41/76/1085914176.db2.gz GQIANBNSNJNKFO-NXEWRWPSSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167973103 1085914187 /nfs/dbraw/zinc/91/41/87/1085914187.db2.gz GQIANBNSNJNKFO-NXEWRWPSSA-N 2 1 314.473 3.369 20 0 DGADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2cc[nH+]cc12 ZINC001167973078 1085915227 /nfs/dbraw/zinc/91/52/27/1085915227.db2.gz FUZBRAFHKLJEDF-JWTNVVGKSA-N 3 1 324.472 3.115 20 0 DGADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccncc12 ZINC001167973078 1085915232 /nfs/dbraw/zinc/91/52/32/1085915232.db2.gz FUZBRAFHKLJEDF-JWTNVVGKSA-N 2 1 324.472 3.115 20 0 DGADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccncc12 ZINC001167973078 1085915239 /nfs/dbraw/zinc/91/52/39/1085915239.db2.gz FUZBRAFHKLJEDF-JWTNVVGKSA-N 2 1 324.472 3.115 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204748698 1085998623 /nfs/dbraw/zinc/99/86/23/1085998623.db2.gz QATWBFIWOBUVQY-UHFFFAOYSA-N 2 1 306.425 3.108 20 0 DGADMP c1ccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)nc1 ZINC001167996073 1086068160 /nfs/dbraw/zinc/06/81/60/1086068160.db2.gz WDDMACUYDZHKNE-KAKFPZCNSA-N 2 1 311.473 3.276 20 0 DGADMP c1ccc([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001167996073 1086068171 /nfs/dbraw/zinc/06/81/71/1086068171.db2.gz WDDMACUYDZHKNE-KAKFPZCNSA-N 2 1 311.473 3.276 20 0 DGADMP c1ccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001167996073 1086068178 /nfs/dbraw/zinc/06/81/78/1086068178.db2.gz WDDMACUYDZHKNE-KAKFPZCNSA-N 2 1 311.473 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005928 1086152897 /nfs/dbraw/zinc/15/28/97/1086152897.db2.gz LBFZMFJLRYPYEN-LHDHZVESSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007352 1086161322 /nfs/dbraw/zinc/16/13/22/1086161322.db2.gz RMASUWUKIDEGFA-XEMDLRDOSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204757548 1086173284 /nfs/dbraw/zinc/17/32/84/1086173284.db2.gz ZPVOZABBESMXDB-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011387 1086214892 /nfs/dbraw/zinc/21/48/92/1086214892.db2.gz OSMOGMPUWJQLRQ-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011387 1086214898 /nfs/dbraw/zinc/21/48/98/1086214898.db2.gz OSMOGMPUWJQLRQ-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011387 1086214910 /nfs/dbraw/zinc/21/49/10/1086214910.db2.gz OSMOGMPUWJQLRQ-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011387 1086214918 /nfs/dbraw/zinc/21/49/18/1086214918.db2.gz OSMOGMPUWJQLRQ-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011387 1086214931 /nfs/dbraw/zinc/21/49/31/1086214931.db2.gz OSMOGMPUWJQLRQ-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@@H](CO)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039183 1086496947 /nfs/dbraw/zinc/49/69/47/1086496947.db2.gz BYLLFYJYOXBMBA-ZHALLVOQSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCC[C@@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039183 1086496952 /nfs/dbraw/zinc/49/69/52/1086496952.db2.gz BYLLFYJYOXBMBA-ZHALLVOQSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039183 1086496957 /nfs/dbraw/zinc/49/69/57/1086496957.db2.gz BYLLFYJYOXBMBA-ZHALLVOQSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCCC[C@H]2CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040513 1086502217 /nfs/dbraw/zinc/50/22/17/1086502217.db2.gz NWDRMILRNIPQMM-LMMKCTJWSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCCC[C@H]2CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040513 1086502226 /nfs/dbraw/zinc/50/22/26/1086502226.db2.gz NWDRMILRNIPQMM-LMMKCTJWSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041646 1086510632 /nfs/dbraw/zinc/51/06/32/1086510632.db2.gz VADVQVIZECDGME-MTNOOBJLSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041646 1086510634 /nfs/dbraw/zinc/51/06/34/1086510634.db2.gz VADVQVIZECDGME-MTNOOBJLSA-N 2 1 316.489 3.131 20 0 DGADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088327510 1086796044 /nfs/dbraw/zinc/79/60/44/1086796044.db2.gz OUEREZFAAHTVOL-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@@H+](CCC[NH3+])C1CCCCC1)C2 ZINC001168231861 1087065420 /nfs/dbraw/zinc/06/54/20/1087065420.db2.gz RIIGWRPXVVFPDX-GOSISDBHSA-N 2 1 302.462 3.146 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001168252159 1087073330 /nfs/dbraw/zinc/07/33/30/1087073330.db2.gz NKTXZQGECCBZSB-RBUKOAKNSA-N 2 1 314.473 3.017 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001168252159 1087073338 /nfs/dbraw/zinc/07/33/38/1087073338.db2.gz NKTXZQGECCBZSB-RBUKOAKNSA-N 2 1 314.473 3.017 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252394 1087073759 /nfs/dbraw/zinc/07/37/59/1087073759.db2.gz PLESOSPCFPXNOR-WDSOQIARSA-N 2 1 314.473 3.287 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001168252399 1087073955 /nfs/dbraw/zinc/07/39/55/1087073955.db2.gz POOFEJYWQAHZBB-MSOLQXFVSA-N 2 1 314.473 3.159 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001168252399 1087073961 /nfs/dbraw/zinc/07/39/61/1087073961.db2.gz POOFEJYWQAHZBB-MSOLQXFVSA-N 2 1 314.473 3.159 20 0 DGADMP CN(C)CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168295028 1087285017 /nfs/dbraw/zinc/28/50/17/1087285017.db2.gz PQYRUDNZWUNDOC-CTWPCTMYSA-N 2 1 303.494 3.142 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001168323114 1087293303 /nfs/dbraw/zinc/29/33/03/1087293303.db2.gz RBWAXVDXUQYAJL-ACBHZAAOSA-N 2 1 302.462 3.150 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328438 1087295500 /nfs/dbraw/zinc/29/55/00/1087295500.db2.gz GNIHXKKCKGDJHQ-ZLPCBKJTSA-N 2 1 304.478 3.431 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001168329388 1087296353 /nfs/dbraw/zinc/29/63/53/1087296353.db2.gz RRBOLFPIIFLGFK-GPANFISMSA-N 2 1 310.482 3.055 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168331039 1087296978 /nfs/dbraw/zinc/29/69/78/1087296978.db2.gz XCWOQGMAPUFWCG-ABHNRTSZSA-N 2 1 317.477 3.106 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000697824918 1087337907 /nfs/dbraw/zinc/33/79/07/1087337907.db2.gz CXCSGRPHRZPRKE-JTQLQIEISA-N 2 1 303.219 3.018 20 0 DGADMP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc2ccccc21 ZINC001168370858 1087443904 /nfs/dbraw/zinc/44/39/04/1087443904.db2.gz GGSQZNDNUZBWAH-OAQYLSRUSA-N 2 1 324.468 3.337 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168371542 1087447810 /nfs/dbraw/zinc/44/78/10/1087447810.db2.gz OAYZPTKALMODIM-IZAXUBKRSA-N 2 1 307.526 3.103 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168379569 1087541870 /nfs/dbraw/zinc/54/18/70/1087541870.db2.gz MCUNDTABEMMLTN-LJQANCHMSA-N 2 1 300.446 3.014 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2ccc([C@@H](C)[NH3+])n2)nc1 ZINC001158354591 1087786770 /nfs/dbraw/zinc/78/67/70/1087786770.db2.gz BVBLRCKSFQBOLR-PBHICJAKSA-N 2 1 313.449 3.224 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C(C)(C)C[NH3+])nc1 ZINC001159061070 1088162780 /nfs/dbraw/zinc/16/27/80/1088162780.db2.gz UXTSYDHSYOGRJM-MRXNPFEDSA-N 2 1 304.482 3.192 20 0 DGADMP [NH3+]CCc1cccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001159672455 1088439340 /nfs/dbraw/zinc/43/93/40/1088439340.db2.gz VTYVSYXMJIAPHE-UHFFFAOYSA-N 2 1 307.441 3.390 20 0 DGADMP [NH3+][C@@H]1CCCN(c2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2)C1 ZINC001159983036 1088588549 /nfs/dbraw/zinc/58/85/49/1088588549.db2.gz ZQCSRVZLVZPBAG-CYBMUJFWSA-N 2 1 307.401 3.234 20 0 DGADMP c1[nH]c2ccc(Nc3ccccc3O[C@@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001160234411 1088715132 /nfs/dbraw/zinc/71/51/32/1088715132.db2.gz WOIMSQPDKRGXGY-CQSZACIVSA-N 2 1 308.385 3.437 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001154989314 1088877377 /nfs/dbraw/zinc/87/73/77/1088877377.db2.gz NGEBQCBJHQMKKZ-BRWVUGGUSA-N 2 1 302.466 3.310 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C[NH3+])C(C)(C)C)nc1 ZINC001160916699 1089018124 /nfs/dbraw/zinc/01/81/24/1089018124.db2.gz GHSZPUPCPYWVLM-CVEARBPZSA-N 2 1 304.482 3.414 20 0 DGADMP CCC(CC)[NH+]1CCC(Nc2[nH+]cnc3[nH]c(C)cc32)CC1 ZINC001161098574 1089115076 /nfs/dbraw/zinc/11/50/76/1089115076.db2.gz NYAIVRMHOJHWHU-UHFFFAOYSA-N 2 1 301.438 3.331 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484044658 1089122712 /nfs/dbraw/zinc/12/27/12/1089122712.db2.gz URKORVXWJAGARC-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484044658 1089122719 /nfs/dbraw/zinc/12/27/19/1089122719.db2.gz URKORVXWJAGARC-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1c[nH+]c(NCC2CC[NH+](C(C)C)CC2)nc1NCC1CC1 ZINC001156495142 1089548622 /nfs/dbraw/zinc/54/86/22/1089548622.db2.gz QWQDKNMDHCXNQY-UHFFFAOYSA-N 2 1 317.481 3.139 20 0 DGADMP Nc1ccc(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)[nH+]c1 ZINC001162233873 1089623491 /nfs/dbraw/zinc/62/34/91/1089623491.db2.gz RGCLGLSCNTXDIQ-KRWDZBQOSA-N 2 1 314.408 3.346 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001162460672 1089743153 /nfs/dbraw/zinc/74/31/53/1089743153.db2.gz JTCJMRKXVFDIKQ-KBPBESRZSA-N 2 1 312.461 3.489 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(C)[C@]2(C)CCC[NH2+]C2)nc1 ZINC001156976619 1089773013 /nfs/dbraw/zinc/77/30/13/1089773013.db2.gz JWWTTWNMQLENBI-PKOBYXMFSA-N 2 1 316.493 3.207 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580168 1089805584 /nfs/dbraw/zinc/80/55/84/1089805584.db2.gz NUTCGHNJQNHFNS-SJLPKXTDSA-N 2 1 320.456 3.132 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(NCc3ccc4c(c3)CC[NH2+]C4)cc2)C1 ZINC001162816151 1089973885 /nfs/dbraw/zinc/97/38/85/1089973885.db2.gz MLADABLOFUOTAH-FQEVSTJZSA-N 2 1 321.468 3.364 20 0 DGADMP CCC[NH+]1C[C@@H]2CN(c3cc4cc(OC)ccc4c[nH+]3)C[C@H]2C1 ZINC001157693217 1090078966 /nfs/dbraw/zinc/07/89/66/1090078966.db2.gz XMLWVEBADUJREH-IAGOWNOFSA-N 2 1 311.429 3.021 20 0 DGADMP CCN(c1ccc([C@H]2CCCC[N@H+]2CC)cn1)[C@@H]1CCC[NH2+]C1 ZINC001158207532 1090201842 /nfs/dbraw/zinc/20/18/42/1090201842.db2.gz OHOXJDZYNMZTDI-QZTJIDSGSA-N 2 1 316.493 3.207 20 0 DGADMP c1cnc(C2CC[NH2+]CC2)c(CNc2ccc(C3CC3)c[nH+]2)c1 ZINC001163912169 1090284979 /nfs/dbraw/zinc/28/49/79/1090284979.db2.gz ROVQWQNIDYQJEY-UHFFFAOYSA-N 2 1 308.429 3.433 20 0 DGADMP Cc1[nH+]ccn1CCNc1cc(OCc2ccccc2)cc[nH+]1 ZINC001163919960 1090286736 /nfs/dbraw/zinc/28/67/36/1090286736.db2.gz PFKSVBOXIGUSRJ-UHFFFAOYSA-N 2 1 308.385 3.278 20 0 DGADMP Brc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237374221 1090303558 /nfs/dbraw/zinc/30/35/58/1090303558.db2.gz CRDAAGHMPDLTGM-GOEBONIOSA-N 2 1 323.278 3.066 20 0 DGADMP CC(C)N(CCC[NH3+])c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001164121264 1090347903 /nfs/dbraw/zinc/34/79/03/1090347903.db2.gz ITMCYRTVKLTBDE-INIZCTEOSA-N 2 1 304.482 3.020 20 0 DGADMP [NH3+]CC1(c2ccccc2)CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001164435541 1090422991 /nfs/dbraw/zinc/42/29/91/1090422991.db2.gz HQDCYFKDHWJFAP-UHFFFAOYSA-N 2 1 307.441 3.067 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]2C[NH+](C)C)nc1 ZINC001165074312 1090460963 /nfs/dbraw/zinc/46/09/63/1090460963.db2.gz KPLKTMZBLXADAR-ZWKOTPCHSA-N 2 1 316.493 3.159 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000691313774 1090469757 /nfs/dbraw/zinc/46/97/57/1090469757.db2.gz BRKSBHCPPYYDOW-SLFFLAALSA-N 2 1 314.473 3.056 20 0 DGADMP C[NH+](C)Cc1c(F)cc(NCC[C@H]2CCC[N@H+](C)C2)cc1F ZINC001165300054 1090499368 /nfs/dbraw/zinc/49/93/68/1090499368.db2.gz GBBAELVXJGZLLV-CYBMUJFWSA-N 2 1 311.420 3.170 20 0 DGADMP C[NH+](C)Cc1c(F)cc(NCC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC001165300054 1090499372 /nfs/dbraw/zinc/49/93/72/1090499372.db2.gz GBBAELVXJGZLLV-CYBMUJFWSA-N 2 1 311.420 3.170 20 0 DGADMP Cc1c[nH+]c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc1C ZINC001165308055 1090500287 /nfs/dbraw/zinc/50/02/87/1090500287.db2.gz VHJRGKIFYXGETJ-ZDUSSCGKSA-N 2 1 313.367 3.352 20 0 DGADMP COc1cc(N2CCCCC23CC[NH2+]CC3)[nH+]c2ccccc21 ZINC001165338841 1090508521 /nfs/dbraw/zinc/50/85/21/1090508521.db2.gz IFOCXVIBGHALPE-UHFFFAOYSA-N 2 1 311.429 3.356 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+]1CCCCC1 ZINC001206717330 1090648341 /nfs/dbraw/zinc/64/83/41/1090648341.db2.gz GXLFTFKIZLPNPM-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203904525 1090834067 /nfs/dbraw/zinc/83/40/67/1090834067.db2.gz ZMNOCQNGUUBAGQ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC(=O)Oc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001203949358 1090848292 /nfs/dbraw/zinc/84/82/92/1090848292.db2.gz NSMXUJGBDXUQLO-UHFFFAOYSA-N 2 1 318.461 3.164 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203972189 1090855484 /nfs/dbraw/zinc/85/54/84/1090855484.db2.gz JMKPWOZOHJHTMI-SFHVURJKSA-N 2 1 312.413 3.442 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203972189 1090855489 /nfs/dbraw/zinc/85/54/89/1090855489.db2.gz JMKPWOZOHJHTMI-SFHVURJKSA-N 2 1 312.413 3.442 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccn4)CC[C@H]3C2)cc1 ZINC001204065335 1090888059 /nfs/dbraw/zinc/88/80/59/1090888059.db2.gz GAYHFNCVLMFHFJ-PMACEKPBSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccn4)CC[C@H]3C2)cc1 ZINC001204065335 1090888070 /nfs/dbraw/zinc/88/80/70/1090888070.db2.gz GAYHFNCVLMFHFJ-PMACEKPBSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3C2)cc1 ZINC001204065335 1090888082 /nfs/dbraw/zinc/88/80/82/1090888082.db2.gz GAYHFNCVLMFHFJ-PMACEKPBSA-N 2 1 321.468 3.426 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)s1 ZINC001204063631 1090888619 /nfs/dbraw/zinc/88/86/19/1090888619.db2.gz JJZNAIQMEUGOPN-JKSUJKDBSA-N 2 1 315.486 3.173 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204078189 1090892528 /nfs/dbraw/zinc/89/25/28/1090892528.db2.gz RAMRAHDSKUTNPX-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP CC1(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)CCOCC1 ZINC001276448301 1090922953 /nfs/dbraw/zinc/92/29/53/1090922953.db2.gz LVSIKEMGWICRNI-HDICACEKSA-N 2 1 320.521 3.390 20 0 DGADMP CC1(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)CCOCC1 ZINC001276448301 1090922956 /nfs/dbraw/zinc/92/29/56/1090922956.db2.gz LVSIKEMGWICRNI-HDICACEKSA-N 2 1 320.521 3.390 20 0 DGADMP CC1(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)CCOCC1 ZINC001276448301 1090922959 /nfs/dbraw/zinc/92/29/59/1090922959.db2.gz LVSIKEMGWICRNI-HDICACEKSA-N 2 1 320.521 3.390 20 0 DGADMP c1cnn(CCC[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001276450370 1090932853 /nfs/dbraw/zinc/93/28/53/1090932853.db2.gz FIYAPZQHVXULAQ-LJQANCHMSA-N 2 1 316.493 3.004 20 0 DGADMP c1cnn(CCC[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001276450370 1090932855 /nfs/dbraw/zinc/93/28/55/1090932855.db2.gz FIYAPZQHVXULAQ-LJQANCHMSA-N 2 1 316.493 3.004 20 0 DGADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001276452134 1090942237 /nfs/dbraw/zinc/94/22/37/1090942237.db2.gz VCLAILQMXBENPR-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001276452134 1090942239 /nfs/dbraw/zinc/94/22/39/1090942239.db2.gz VCLAILQMXBENPR-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001276452134 1090942242 /nfs/dbraw/zinc/94/22/42/1090942242.db2.gz VCLAILQMXBENPR-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1cn(C(C)=O)c2ccccc12 ZINC001204412575 1090964219 /nfs/dbraw/zinc/96/42/19/1090964219.db2.gz QDWZQUFAKMGEMT-UHFFFAOYSA-N 2 1 310.401 3.020 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCN(CC[NH+](C)C)CC2 ZINC001276463100 1090964678 /nfs/dbraw/zinc/96/46/78/1090964678.db2.gz AHOAEPWGYANSRB-GOSISDBHSA-N 2 1 309.542 3.162 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC001204492073 1090981504 /nfs/dbraw/zinc/98/15/04/1090981504.db2.gz NDBPUGBYWFQVSQ-UHFFFAOYSA-N 2 1 323.440 3.064 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497064 1090983715 /nfs/dbraw/zinc/98/37/15/1090983715.db2.gz LKKXAKYLNHZYEK-AZUAARDMSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497064 1090983716 /nfs/dbraw/zinc/98/37/16/1090983716.db2.gz LKKXAKYLNHZYEK-AZUAARDMSA-N 2 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497064 1090983718 /nfs/dbraw/zinc/98/37/18/1090983718.db2.gz LKKXAKYLNHZYEK-AZUAARDMSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1cc(C)cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001204526058 1090991970 /nfs/dbraw/zinc/99/19/70/1090991970.db2.gz KVEJUAFERIDMIW-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1cc(C)cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001204526058 1090991976 /nfs/dbraw/zinc/99/19/76/1090991976.db2.gz KVEJUAFERIDMIW-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1nc[nH]c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204602900 1091005717 /nfs/dbraw/zinc/00/57/17/1091005717.db2.gz AWXBWFQYVGUNOG-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204602900 1091005723 /nfs/dbraw/zinc/00/57/23/1091005723.db2.gz AWXBWFQYVGUNOG-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204602900 1091005728 /nfs/dbraw/zinc/00/57/28/1091005728.db2.gz AWXBWFQYVGUNOG-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742182 1091027317 /nfs/dbraw/zinc/02/73/17/1091027317.db2.gz JPRHWJJTLSSRQU-UHFFFAOYSA-N 2 1 306.425 3.190 20 0 DGADMP CCCCCCc1csc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC001204755023 1091031074 /nfs/dbraw/zinc/03/10/74/1091031074.db2.gz DAFUZVDJFCQQIU-INIZCTEOSA-N 2 1 310.507 3.421 20 0 DGADMP CCCCCCc1csc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC001204755023 1091031084 /nfs/dbraw/zinc/03/10/84/1091031084.db2.gz DAFUZVDJFCQQIU-INIZCTEOSA-N 2 1 310.507 3.421 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854229 1091048348 /nfs/dbraw/zinc/04/83/48/1091048348.db2.gz IWQAJIPFZGUBDM-XHDPSFHLSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854229 1091048354 /nfs/dbraw/zinc/04/83/54/1091048354.db2.gz IWQAJIPFZGUBDM-XHDPSFHLSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204896837 1091057669 /nfs/dbraw/zinc/05/76/69/1091057669.db2.gz PVPBUMHFUJMRCM-MSOLQXFVSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001204896837 1091057674 /nfs/dbraw/zinc/05/76/74/1091057674.db2.gz PVPBUMHFUJMRCM-MSOLQXFVSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001204896837 1091057678 /nfs/dbraw/zinc/05/76/78/1091057678.db2.gz PVPBUMHFUJMRCM-MSOLQXFVSA-N 2 1 323.484 3.240 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205009572 1091082938 /nfs/dbraw/zinc/08/29/38/1091082938.db2.gz XKCFBPGVRYYIIG-KRWDZBQOSA-N 2 1 311.473 3.337 20 0 DGADMP CCOc1c(F)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC001205047196 1091090883 /nfs/dbraw/zinc/09/08/83/1091090883.db2.gz QRDQDJMYNJGCGO-UHFFFAOYSA-N 2 1 300.805 3.049 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001205089059 1091100237 /nfs/dbraw/zinc/10/02/37/1091100237.db2.gz WSMOKKBPDMAUSV-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC001205101802 1091102948 /nfs/dbraw/zinc/10/29/48/1091102948.db2.gz LVWDNAXATQJFFI-QGZVFWFLSA-N 2 1 320.440 3.339 20 0 DGADMP C(c1nc2c(s1)C[NH2+]CC2)[NH+]1CCC2(CCCCC2)CC1 ZINC001205171192 1091118936 /nfs/dbraw/zinc/11/89/36/1091118936.db2.gz LZMRZDJMJTXCTR-UHFFFAOYSA-N 2 1 305.491 3.335 20 0 DGADMP C[N@H+](Cc1cccc(OC(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC001138282564 1091131191 /nfs/dbraw/zinc/13/11/91/1091131191.db2.gz ZVQNSPAYSQWILS-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205212301 1091132255 /nfs/dbraw/zinc/13/22/55/1091132255.db2.gz YIEPLCPBIJABLF-PXNSSMCTSA-N 2 1 318.505 3.164 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001205210821 1091132290 /nfs/dbraw/zinc/13/22/90/1091132290.db2.gz RNXQKIZQLMZTMK-HXUWFJFHSA-N 2 1 310.441 3.029 20 0 DGADMP C[C@@]1([NH3+])CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205255094 1091151249 /nfs/dbraw/zinc/15/12/49/1091151249.db2.gz GPRJTNCPHZQXQF-WOJBJXKFSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255094 1091151254 /nfs/dbraw/zinc/15/12/54/1091151254.db2.gz GPRJTNCPHZQXQF-WOJBJXKFSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255094 1091151258 /nfs/dbraw/zinc/15/12/58/1091151258.db2.gz GPRJTNCPHZQXQF-WOJBJXKFSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254766 1091151274 /nfs/dbraw/zinc/15/12/74/1091151274.db2.gz AYTUZTVBERTFPN-PMACEKPBSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254766 1091151276 /nfs/dbraw/zinc/15/12/76/1091151276.db2.gz AYTUZTVBERTFPN-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205254766 1091151279 /nfs/dbraw/zinc/15/12/79/1091151279.db2.gz AYTUZTVBERTFPN-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205254766 1091151285 /nfs/dbraw/zinc/15/12/85/1091151285.db2.gz AYTUZTVBERTFPN-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@]1([NH3+])CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205254766 1091151290 /nfs/dbraw/zinc/15/12/90/1091151290.db2.gz AYTUZTVBERTFPN-PMACEKPBSA-N 3 1 315.505 3.102 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001138375396 1091158259 /nfs/dbraw/zinc/15/82/59/1091158259.db2.gz LAAABVORYPDNST-INIZCTEOSA-N 2 1 316.376 3.191 20 0 DGADMP COc1ccc(F)cc1CN1CC[C@H](Oc2ccncc2C)C1 ZINC001138375396 1091158266 /nfs/dbraw/zinc/15/82/66/1091158266.db2.gz LAAABVORYPDNST-INIZCTEOSA-N 2 1 316.376 3.191 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001205280749 1091162809 /nfs/dbraw/zinc/16/28/09/1091162809.db2.gz HVDMCBNBNTVBGV-KRWDZBQOSA-N 2 1 318.852 3.229 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001138413109 1091173234 /nfs/dbraw/zinc/17/32/34/1091173234.db2.gz MMRQOVAJCBFDJN-UHFFFAOYSA-N 2 1 303.425 3.389 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205305949 1091176974 /nfs/dbraw/zinc/17/69/74/1091176974.db2.gz URVHFBQGASCBST-SWLSCSKDSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205305949 1091176978 /nfs/dbraw/zinc/17/69/78/1091176978.db2.gz URVHFBQGASCBST-SWLSCSKDSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205305948 1091177373 /nfs/dbraw/zinc/17/73/73/1091177373.db2.gz URVHFBQGASCBST-IUODEOHRSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205305948 1091177380 /nfs/dbraw/zinc/17/73/80/1091177380.db2.gz URVHFBQGASCBST-IUODEOHRSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC001205316435 1091180340 /nfs/dbraw/zinc/18/03/40/1091180340.db2.gz IXIMFICMZPNEHV-KDOFPFPSSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)C[C@@H]1C[NH3+] ZINC001205316838 1091182062 /nfs/dbraw/zinc/18/20/62/1091182062.db2.gz LLFJMOINEHVKEL-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)C[C@@H]1C[NH3+] ZINC001205316838 1091182066 /nfs/dbraw/zinc/18/20/66/1091182066.db2.gz LLFJMOINEHVKEL-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1CCCc1cccc(Br)c1 ZINC001205324537 1091185803 /nfs/dbraw/zinc/18/58/03/1091185803.db2.gz DCEWGXYNRYZQIT-CYBMUJFWSA-N 2 1 311.267 3.066 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001138443747 1091187429 /nfs/dbraw/zinc/18/74/29/1091187429.db2.gz LATSTHFOCROZFP-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001138443747 1091187434 /nfs/dbraw/zinc/18/74/34/1091187434.db2.gz LATSTHFOCROZFP-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CCOc1ccc2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001138443747 1091187445 /nfs/dbraw/zinc/18/74/45/1091187445.db2.gz LATSTHFOCROZFP-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP CCOc1ccc2ccccc2c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001138443747 1091187450 /nfs/dbraw/zinc/18/74/50/1091187450.db2.gz LATSTHFOCROZFP-CALCHBBNSA-N 2 1 310.441 3.232 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001205332349 1091190059 /nfs/dbraw/zinc/19/00/59/1091190059.db2.gz PENHKODHNYFWGC-QGZVFWFLSA-N 2 1 310.441 3.449 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001205332349 1091190064 /nfs/dbraw/zinc/19/00/64/1091190064.db2.gz PENHKODHNYFWGC-QGZVFWFLSA-N 2 1 310.441 3.449 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1 ZINC001138545129 1091222815 /nfs/dbraw/zinc/22/28/15/1091222815.db2.gz SABQVUBYMZHBIH-PKOBYXMFSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1 ZINC001138545129 1091222824 /nfs/dbraw/zinc/22/28/24/1091222824.db2.gz SABQVUBYMZHBIH-PKOBYXMFSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1 ZINC001138545124 1091223078 /nfs/dbraw/zinc/22/30/78/1091223078.db2.gz SABQVUBYMZHBIH-IEBWSBKVSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1 ZINC001138545124 1091223082 /nfs/dbraw/zinc/22/30/82/1091223082.db2.gz SABQVUBYMZHBIH-IEBWSBKVSA-N 2 1 311.429 3.182 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001205058419 1091225076 /nfs/dbraw/zinc/22/50/76/1091225076.db2.gz LZIHHMWWZZCDBR-JSGCOSHPSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001205058419 1091225085 /nfs/dbraw/zinc/22/50/85/1091225085.db2.gz LZIHHMWWZZCDBR-JSGCOSHPSA-N 2 1 300.368 3.450 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC001205546074 1091241473 /nfs/dbraw/zinc/24/14/73/1091241473.db2.gz QEADLNBEUUQDIG-CQSZACIVSA-N 2 1 315.230 3.102 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1C(C)C ZINC001205558021 1091252000 /nfs/dbraw/zinc/25/20/00/1091252000.db2.gz APLDJTMGPQYLTI-GOSISDBHSA-N 2 1 308.441 3.472 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205559591 1091254142 /nfs/dbraw/zinc/25/41/42/1091254142.db2.gz SHETWJJTDCMZDQ-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205559902 1091254909 /nfs/dbraw/zinc/25/49/09/1091254909.db2.gz WXBCHJVMWBFBEI-MRXNPFEDSA-N 2 1 314.832 3.392 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001205560023 1091255380 /nfs/dbraw/zinc/25/53/80/1091255380.db2.gz YHIRGPHSCIHFOY-GFCCVEGCSA-N 2 1 321.259 3.164 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570962 1091259154 /nfs/dbraw/zinc/25/91/54/1091259154.db2.gz QTIBDKFMAZITAF-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570962 1091259163 /nfs/dbraw/zinc/25/91/63/1091259163.db2.gz QTIBDKFMAZITAF-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205571610 1091259396 /nfs/dbraw/zinc/25/93/96/1091259396.db2.gz VZGWUUTYSVVYED-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001205571815 1091260038 /nfs/dbraw/zinc/26/00/38/1091260038.db2.gz YLXKGFNRRGZXJY-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001205571815 1091260043 /nfs/dbraw/zinc/26/00/43/1091260043.db2.gz YLXKGFNRRGZXJY-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP C[N@H+](Cc1cccn1-c1ccccc1F)CC1CC[NH+](C)CC1 ZINC001138634967 1091269002 /nfs/dbraw/zinc/26/90/02/1091269002.db2.gz YSCVAZLYFRLHPP-UHFFFAOYSA-N 2 1 315.436 3.390 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001205591670 1091269279 /nfs/dbraw/zinc/26/92/79/1091269279.db2.gz NVQXRIBRPVOQNL-SFHVURJKSA-N 2 1 323.431 3.079 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001205591707 1091271026 /nfs/dbraw/zinc/27/10/26/1091271026.db2.gz ODBJMZDZQVFABN-SFHVURJKSA-N 2 1 323.431 3.079 20 0 DGADMP CCCn1ncc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001138640106 1091271148 /nfs/dbraw/zinc/27/11/48/1091271148.db2.gz HBGXZIWIKHEFJM-RBUKOAKNSA-N 2 1 318.509 3.440 20 0 DGADMP CCCn1ncc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001138640106 1091271154 /nfs/dbraw/zinc/27/11/54/1091271154.db2.gz HBGXZIWIKHEFJM-RBUKOAKNSA-N 2 1 318.509 3.440 20 0 DGADMP CCCn1ncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001138640106 1091271161 /nfs/dbraw/zinc/27/11/61/1091271161.db2.gz HBGXZIWIKHEFJM-RBUKOAKNSA-N 2 1 318.509 3.440 20 0 DGADMP CCCn1ncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1C ZINC001138640106 1091271169 /nfs/dbraw/zinc/27/11/69/1091271169.db2.gz HBGXZIWIKHEFJM-RBUKOAKNSA-N 2 1 318.509 3.440 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1C[NH3+] ZINC001205603604 1091275939 /nfs/dbraw/zinc/27/59/39/1091275939.db2.gz QWZIWVCTFIDAOD-ZFWWWQNUSA-N 2 1 317.408 3.288 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(C)C ZINC001205617198 1091280498 /nfs/dbraw/zinc/28/04/98/1091280498.db2.gz IGNBGNPYGXJCSY-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205617913 1091283567 /nfs/dbraw/zinc/28/35/67/1091283567.db2.gz PDDAJRNVUVYSJR-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205625983 1091285481 /nfs/dbraw/zinc/28/54/81/1091285481.db2.gz DIGNMGIRLXDAAU-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CC[C@@H]1C[NH3+] ZINC001205626351 1091285829 /nfs/dbraw/zinc/28/58/29/1091285829.db2.gz GCMDTPMNQFEHGQ-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205626652 1091286008 /nfs/dbraw/zinc/28/60/08/1091286008.db2.gz HRDWYCLXUBPUIR-WCQYABFASA-N 2 1 316.367 3.218 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205626717 1091286303 /nfs/dbraw/zinc/28/63/03/1091286303.db2.gz IKINJRDLMWWYDF-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205626653 1091286315 /nfs/dbraw/zinc/28/63/15/1091286315.db2.gz HRDWYCLXUBPUIR-YPMHNXCESA-N 2 1 316.367 3.218 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205628534 1091287728 /nfs/dbraw/zinc/28/77/28/1091287728.db2.gz VVHKGYCJCLDQQX-AAEUAGOBSA-N 2 1 315.383 3.216 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC001205635435 1091290085 /nfs/dbraw/zinc/29/00/85/1091290085.db2.gz AMESEDODHIJXPA-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@H]1C[NH3+] ZINC001205638576 1091291780 /nfs/dbraw/zinc/29/17/80/1091291780.db2.gz PKYHXQWXMLRFFM-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@@H]1C[NH3+] ZINC001205638579 1091291931 /nfs/dbraw/zinc/29/19/31/1091291931.db2.gz PKYHXQWXMLRFFM-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1F ZINC001205652043 1091299256 /nfs/dbraw/zinc/29/92/56/1091299256.db2.gz NQHFBUPBHUZSAK-GDBMZVCRSA-N 2 1 308.441 3.420 20 0 DGADMP COc1cc(C)c(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(C)c1C ZINC001138727916 1091303663 /nfs/dbraw/zinc/30/36/63/1091303663.db2.gz XCSKWTRPNFBHLT-WMZOPIPTSA-N 2 1 302.462 3.146 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205662875 1091303954 /nfs/dbraw/zinc/30/39/54/1091303954.db2.gz FAMSTRSDFAMUDL-YLJYHZDGSA-N 2 1 318.505 3.164 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2scnc2c1 ZINC001205692847 1091315061 /nfs/dbraw/zinc/31/50/61/1091315061.db2.gz LVKRRMXDRLAILD-UHFFFAOYSA-N 2 1 300.431 3.323 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2scnc2c1 ZINC001205692847 1091315069 /nfs/dbraw/zinc/31/50/69/1091315069.db2.gz LVKRRMXDRLAILD-UHFFFAOYSA-N 2 1 300.431 3.323 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830805 1091371505 /nfs/dbraw/zinc/37/15/05/1091371505.db2.gz VHVPNWWFAOVYDD-MGPUTAFESA-N 2 1 311.473 3.465 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830805 1091371514 /nfs/dbraw/zinc/37/15/14/1091371514.db2.gz VHVPNWWFAOVYDD-MGPUTAFESA-N 2 1 311.473 3.465 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccc(Br)cc1 ZINC001205902216 1091399121 /nfs/dbraw/zinc/39/91/21/1091399121.db2.gz IXPKSSQSZWOOFY-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901575 1091400219 /nfs/dbraw/zinc/40/02/19/1091400219.db2.gz DGHYPAQWYPJJQM-RDJZCZTQSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914072 1091408170 /nfs/dbraw/zinc/40/81/70/1091408170.db2.gz KUDMKYSIJXBYGL-SWLSCSKDSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccnc(Cl)c2c1 ZINC001205914072 1091408174 /nfs/dbraw/zinc/40/81/74/1091408174.db2.gz KUDMKYSIJXBYGL-SWLSCSKDSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001205915658 1091409779 /nfs/dbraw/zinc/40/97/79/1091409779.db2.gz QBUAMCBRWGMTAQ-ZIAGYGMSSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916959 1091411695 /nfs/dbraw/zinc/41/16/95/1091411695.db2.gz WZCFCKIYLVGUBC-ZIAGYGMSSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916959 1091411698 /nfs/dbraw/zinc/41/16/98/1091411698.db2.gz WZCFCKIYLVGUBC-ZIAGYGMSSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916237 1091411742 /nfs/dbraw/zinc/41/17/42/1091411742.db2.gz TYDJMXGFBAOTIP-UONOGXRCSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916237 1091411747 /nfs/dbraw/zinc/41/17/47/1091411747.db2.gz TYDJMXGFBAOTIP-UONOGXRCSA-N 2 1 301.459 3.369 20 0 DGADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001139055291 1091432085 /nfs/dbraw/zinc/43/20/85/1091432085.db2.gz MTCIGGSWUXYKIK-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@H]1C[N@@H+](CC2CCN(c3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205985299 1091436143 /nfs/dbraw/zinc/43/61/43/1091436143.db2.gz WXBCAKZOIJTHOX-HKUYNNGSSA-N 2 1 315.505 3.210 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205996402 1091441242 /nfs/dbraw/zinc/44/12/42/1091441242.db2.gz WVWLVKBSPGCXLE-OCCSQVGLSA-N 2 1 303.425 3.422 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205996399 1091441257 /nfs/dbraw/zinc/44/12/57/1091441257.db2.gz WVWLVKBSPGCXLE-GXTWGEPZSA-N 2 1 303.425 3.422 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206004109 1091445423 /nfs/dbraw/zinc/44/54/23/1091445423.db2.gz QJUDYIAMSJEBBI-LSDHHAIUSA-N 2 1 313.445 3.050 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1OCC ZINC001206003888 1091446570 /nfs/dbraw/zinc/44/65/70/1091446570.db2.gz NJUVSYQUQLIZBB-RDJZCZTQSA-N 2 1 320.477 3.291 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc21 ZINC001206011244 1091449640 /nfs/dbraw/zinc/44/96/40/1091449640.db2.gz AWRIXSLCSWTGIB-LSDHHAIUSA-N 2 1 313.445 3.050 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(CC)c1O ZINC001206011542 1091449891 /nfs/dbraw/zinc/44/98/91/1091449891.db2.gz DOSXOCDSMDUWSN-KDOFPFPSSA-N 2 1 304.478 3.324 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206021617 1091455719 /nfs/dbraw/zinc/45/57/19/1091455719.db2.gz ALJXZCIFMBGXJV-YPMHNXCESA-N 2 1 316.367 3.234 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CCC[C@@H]1C[NH3+] ZINC001206026509 1091457655 /nfs/dbraw/zinc/45/76/55/1091457655.db2.gz SOSWZCXJLFNVQF-GXTWGEPZSA-N 2 1 318.852 3.090 20 0 DGADMP Cc1nc2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)ccc2s1 ZINC001206028904 1091459586 /nfs/dbraw/zinc/45/95/86/1091459586.db2.gz ZPMNSVCLDFKICJ-DOMZBBRYSA-N 2 1 303.475 3.412 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156666 1091512888 /nfs/dbraw/zinc/51/28/88/1091512888.db2.gz RTAJQTDUJMCGMJ-JYJNAYRXSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156666 1091512895 /nfs/dbraw/zinc/51/28/95/1091512895.db2.gz RTAJQTDUJMCGMJ-JYJNAYRXSA-N 2 1 302.478 3.369 20 0 DGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156666 1091512902 /nfs/dbraw/zinc/51/29/02/1091512902.db2.gz RTAJQTDUJMCGMJ-JYJNAYRXSA-N 2 1 302.478 3.369 20 0 DGADMP CC(C)C[NH+](Cc1cnc(N2CC[NH+](C)CC2)s1)CC(C)C ZINC001139319716 1091520779 /nfs/dbraw/zinc/52/07/79/1091520779.db2.gz MIDAXGAEGQMOML-UHFFFAOYSA-N 2 1 324.538 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@H]1F ZINC001206174547 1091521893 /nfs/dbraw/zinc/52/18/93/1091521893.db2.gz OBGDZXQTBMCUBO-CABCVRRESA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@H]1F ZINC001206174547 1091521908 /nfs/dbraw/zinc/52/19/08/1091521908.db2.gz OBGDZXQTBMCUBO-CABCVRRESA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@H]1F ZINC001206187405 1091526840 /nfs/dbraw/zinc/52/68/40/1091526840.db2.gz SZQIHVALHCTJHM-SJORKVTESA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@H]1F ZINC001206187405 1091526845 /nfs/dbraw/zinc/52/68/45/1091526845.db2.gz SZQIHVALHCTJHM-SJORKVTESA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@@H]1F ZINC001206187398 1091527352 /nfs/dbraw/zinc/52/73/52/1091527352.db2.gz SZQIHVALHCTJHM-DLBZAZTESA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@@H]1F ZINC001206187398 1091527357 /nfs/dbraw/zinc/52/73/57/1091527357.db2.gz SZQIHVALHCTJHM-DLBZAZTESA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)CC[C@H]1F ZINC001206197874 1091531129 /nfs/dbraw/zinc/53/11/29/1091531129.db2.gz JPTSCRVYLBRPIB-HUUCEWRRSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)CC[C@H]1F ZINC001206197874 1091531140 /nfs/dbraw/zinc/53/11/40/1091531140.db2.gz JPTSCRVYLBRPIB-HUUCEWRRSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC[C@H]1F ZINC001206200568 1091532322 /nfs/dbraw/zinc/53/23/22/1091532322.db2.gz RZDZZXIYKTWHKV-MSOLQXFVSA-N 2 1 317.383 3.149 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001206258427 1091553421 /nfs/dbraw/zinc/55/34/21/1091553421.db2.gz YSXRIDNUJMYGBV-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001206258427 1091553432 /nfs/dbraw/zinc/55/34/32/1091553432.db2.gz YSXRIDNUJMYGBV-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)cc2)cc1 ZINC001206269486 1091558204 /nfs/dbraw/zinc/55/82/04/1091558204.db2.gz OAMIESFKDYYQDE-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)cc2)cc1 ZINC001206269486 1091558213 /nfs/dbraw/zinc/55/82/13/1091558213.db2.gz OAMIESFKDYYQDE-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH+](C)CCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001206295927 1091565079 /nfs/dbraw/zinc/56/50/79/1091565079.db2.gz HRTAVZUVZZEWOI-BWTSREIZSA-N 2 1 302.462 3.150 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OCC)c1 ZINC001206304332 1091569668 /nfs/dbraw/zinc/56/96/68/1091569668.db2.gz IWHYYXWQVZOAPL-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001206311336 1091573669 /nfs/dbraw/zinc/57/36/69/1091573669.db2.gz MTTXBTRCCKFHMD-AWEZNQCLSA-N 2 1 302.249 3.339 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001206311407 1091574150 /nfs/dbraw/zinc/57/41/50/1091574150.db2.gz NXOGWAGDHSONCQ-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206317313 1091574677 /nfs/dbraw/zinc/57/46/77/1091574677.db2.gz FQBZFLGCHYHSMU-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001206316734 1091575189 /nfs/dbraw/zinc/57/51/89/1091575189.db2.gz DGKSOUBFLSTYSS-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001206318258 1091576631 /nfs/dbraw/zinc/57/66/31/1091576631.db2.gz ONMFUOFXZWGBMR-OAHLLOKOSA-N 2 1 316.367 3.362 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2C(F)(F)F)CC1 ZINC001206325270 1091579392 /nfs/dbraw/zinc/57/93/92/1091579392.db2.gz GWZHSTAZTXRBJA-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)CC1 ZINC001206327078 1091581930 /nfs/dbraw/zinc/58/19/30/1091581930.db2.gz SEUXIGADQUJEDX-GOSISDBHSA-N 2 1 306.425 3.102 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001206344068 1091586791 /nfs/dbraw/zinc/58/67/91/1091586791.db2.gz MKXIXSBEUWUAJE-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001206344068 1091586798 /nfs/dbraw/zinc/58/67/98/1091586798.db2.gz MKXIXSBEUWUAJE-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001206351647 1091591295 /nfs/dbraw/zinc/59/12/95/1091591295.db2.gz HDCPMSAJQFUPBU-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001206351647 1091591306 /nfs/dbraw/zinc/59/13/06/1091591306.db2.gz HDCPMSAJQFUPBU-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccccc2Br)C1 ZINC001206541189 1091661612 /nfs/dbraw/zinc/66/16/12/1091661612.db2.gz FRVWXTJEINEYEY-OAHLLOKOSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2Br)C1 ZINC001206541189 1091661619 /nfs/dbraw/zinc/66/16/19/1091661619.db2.gz FRVWXTJEINEYEY-OAHLLOKOSA-N 2 1 311.267 3.400 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1OC ZINC001206542100 1091662247 /nfs/dbraw/zinc/66/22/47/1091662247.db2.gz RKEWWZWYIULOIS-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)C1 ZINC001206555393 1091666690 /nfs/dbraw/zinc/66/66/90/1091666690.db2.gz KPBDIVSQDCPEHU-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)C1 ZINC001206556239 1091669124 /nfs/dbraw/zinc/66/91/24/1091669124.db2.gz PEUPSTNSYAJZCQ-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206563534 1091670420 /nfs/dbraw/zinc/67/04/20/1091670420.db2.gz FYUXQJSGJLZPKM-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206563534 1091670422 /nfs/dbraw/zinc/67/04/22/1091670422.db2.gz FYUXQJSGJLZPKM-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc3ncnc(Cl)c3c2)C1 ZINC001206572914 1091673229 /nfs/dbraw/zinc/67/32/29/1091673229.db2.gz HQDTXXCGUAXWJH-KRWDZBQOSA-N 2 1 318.852 3.234 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)C1 ZINC001206572914 1091673235 /nfs/dbraw/zinc/67/32/35/1091673235.db2.gz HQDTXXCGUAXWJH-KRWDZBQOSA-N 2 1 318.852 3.234 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001206573917 1091675315 /nfs/dbraw/zinc/67/53/15/1091675315.db2.gz PFJJLQITIXMKSY-LJQANCHMSA-N 2 1 319.468 3.377 20 0 DGADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc(F)c1F ZINC001206599339 1091684875 /nfs/dbraw/zinc/68/48/75/1091684875.db2.gz RKSNMVGXAMJZTQ-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001206622513 1091693492 /nfs/dbraw/zinc/69/34/92/1091693492.db2.gz DOEJQCUVROINGN-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001206622574 1091693752 /nfs/dbraw/zinc/69/37/52/1091693752.db2.gz GFINSYMNVSQVCJ-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682945 1091700349 /nfs/dbraw/zinc/70/03/49/1091700349.db2.gz CEUHMKTUTWTWIG-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682945 1091700355 /nfs/dbraw/zinc/70/03/55/1091700355.db2.gz CEUHMKTUTWTWIG-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[NH+]1CCCCC1 ZINC001206710190 1091708351 /nfs/dbraw/zinc/70/83/51/1091708351.db2.gz WWZJJHCWRUUVIM-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C2C[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206723128 1091711819 /nfs/dbraw/zinc/71/18/19/1091711819.db2.gz UCAJCHRQTJXIIN-UHFFFAOYSA-N 2 1 322.452 3.118 20 0 DGADMP CC1(C[NH3+])C[NH+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001206736318 1091718104 /nfs/dbraw/zinc/71/81/04/1091718104.db2.gz BWEJHPHHEXESIZ-UHFFFAOYSA-N 2 1 302.368 3.412 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCc1cccc(Br)c1 ZINC001206760946 1091727908 /nfs/dbraw/zinc/72/79/08/1091727908.db2.gz PAVWGHNWMUZSBP-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1cccc(Br)c1 ZINC001206760946 1091727914 /nfs/dbraw/zinc/72/79/14/1091727914.db2.gz PAVWGHNWMUZSBP-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001206760919 1091728638 /nfs/dbraw/zinc/72/86/38/1091728638.db2.gz OAKZGRHHJVZEEY-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206767642 1091729763 /nfs/dbraw/zinc/72/97/63/1091729763.db2.gz CYAMDYQRCXTTIG-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206767644 1091730244 /nfs/dbraw/zinc/73/02/44/1091730244.db2.gz CYAMDYQRCXTTIG-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001206767904 1091731882 /nfs/dbraw/zinc/73/18/82/1091731882.db2.gz FZGDLLBYHHSYLV-ZBFHGGJFSA-N 2 1 302.462 3.349 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769042 1091731991 /nfs/dbraw/zinc/73/19/91/1091731991.db2.gz MYIQTUACULBWKD-GHMZBOCLSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769042 1091731994 /nfs/dbraw/zinc/73/19/94/1091731994.db2.gz MYIQTUACULBWKD-GHMZBOCLSA-N 2 1 304.331 3.404 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(OCC)c1 ZINC001206768080 1091732239 /nfs/dbraw/zinc/73/22/39/1091732239.db2.gz GTORFBZOXMZJFJ-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(OCC)c1 ZINC001206768080 1091732248 /nfs/dbraw/zinc/73/22/48/1091732248.db2.gz GTORFBZOXMZJFJ-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770668 1091733021 /nfs/dbraw/zinc/73/30/21/1091733021.db2.gz SZYPBXPMGVAVJM-STQMWFEESA-N 2 1 316.367 3.453 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206772224 1091733603 /nfs/dbraw/zinc/73/36/03/1091733603.db2.gz ZJUUZQBWXISYAN-UONOGXRCSA-N 2 1 301.434 3.126 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1C(F)(F)F ZINC001206769779 1091733667 /nfs/dbraw/zinc/73/36/67/1091733667.db2.gz QGHRFXDPXZAYDW-DGCLKSJQSA-N 2 1 316.367 3.273 20 0 DGADMP CN1CCC([N@@H+](Cc2cc(O)ccc2F)C2CCCC2)CC1 ZINC001140053235 1091750336 /nfs/dbraw/zinc/75/03/36/1091750336.db2.gz WGRRABKPKWCQIF-UHFFFAOYSA-N 2 1 306.425 3.370 20 0 DGADMP C[NH+]1CCC(N(Cc2cc(O)ccc2F)C2CCCC2)CC1 ZINC001140053235 1091750340 /nfs/dbraw/zinc/75/03/40/1091750340.db2.gz WGRRABKPKWCQIF-UHFFFAOYSA-N 2 1 306.425 3.370 20 0 DGADMP C[N@H+]1CCC[C@@H](CN2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498217 1091771662 /nfs/dbraw/zinc/77/16/62/1091771662.db2.gz SUWRQINOAOBGJI-QUCCMNQESA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001276498217 1091771666 /nfs/dbraw/zinc/77/16/66/1091771666.db2.gz SUWRQINOAOBGJI-QUCCMNQESA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)C1 ZINC001276498217 1091771670 /nfs/dbraw/zinc/77/16/70/1091771670.db2.gz SUWRQINOAOBGJI-QUCCMNQESA-N 2 1 319.537 3.059 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001140272663 1091812777 /nfs/dbraw/zinc/81/27/77/1091812777.db2.gz YMMNRMWEBZYNSE-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001140272663 1091812785 /nfs/dbraw/zinc/81/27/85/1091812785.db2.gz YMMNRMWEBZYNSE-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001140272663 1091812792 /nfs/dbraw/zinc/81/27/92/1091812792.db2.gz YMMNRMWEBZYNSE-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC001140272663 1091812795 /nfs/dbraw/zinc/81/27/95/1091812795.db2.gz YMMNRMWEBZYNSE-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453579 1091872671 /nfs/dbraw/zinc/87/26/71/1091872671.db2.gz ZJARNYWCUQPXSW-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453579 1091872675 /nfs/dbraw/zinc/87/26/75/1091872675.db2.gz ZJARNYWCUQPXSW-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453579 1091872681 /nfs/dbraw/zinc/87/26/81/1091872681.db2.gz ZJARNYWCUQPXSW-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140453579 1091872689 /nfs/dbraw/zinc/87/26/89/1091872689.db2.gz ZJARNYWCUQPXSW-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199814 1091886439 /nfs/dbraw/zinc/88/64/39/1091886439.db2.gz WJBGTBRAQFJKLP-JQHSSLGASA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199814 1091886446 /nfs/dbraw/zinc/88/64/46/1091886446.db2.gz WJBGTBRAQFJKLP-JQHSSLGASA-N 2 1 304.865 3.471 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207199814 1091886452 /nfs/dbraw/zinc/88/64/52/1091886452.db2.gz WJBGTBRAQFJKLP-JQHSSLGASA-N 2 1 304.865 3.471 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)CC2)cc1 ZINC001207292106 1091913712 /nfs/dbraw/zinc/91/37/12/1091913712.db2.gz JMTOOZYSEUSNSC-PMACEKPBSA-N 2 1 314.473 3.009 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276523310 1091922688 /nfs/dbraw/zinc/92/26/88/1091922688.db2.gz XXPLGKWKSZJMKW-ARJAWSKDSA-N 2 1 316.493 3.444 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001207398381 1091953799 /nfs/dbraw/zinc/95/37/99/1091953799.db2.gz LRIRWMJHVVRVLR-SFHVURJKSA-N 2 1 320.502 3.127 20 0 DGADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207401024 1091955957 /nfs/dbraw/zinc/95/59/57/1091955957.db2.gz JSJRVLDDDSGTCF-SFHVURJKSA-N 2 1 302.462 3.312 20 0 DGADMP COc1cccc(CC[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001207427401 1091963291 /nfs/dbraw/zinc/96/32/91/1091963291.db2.gz OAQQSTDVBRCLLY-UHFFFAOYSA-N 2 1 304.478 3.290 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)ccc2N)CC1 ZINC001140715664 1091971328 /nfs/dbraw/zinc/97/13/28/1091971328.db2.gz XNJPXJUUEBHDDN-UHFFFAOYSA-N 2 1 309.885 3.474 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207443329 1091971343 /nfs/dbraw/zinc/97/13/43/1091971343.db2.gz QYOZXAOJFBLYCQ-LJQANCHMSA-N 2 1 302.437 3.105 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ncccc1C(F)(F)F ZINC001207481378 1091983311 /nfs/dbraw/zinc/98/33/11/1091983311.db2.gz DPNCDFSYWCHYIA-UHFFFAOYSA-N 2 1 315.383 3.264 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001207485091 1091984922 /nfs/dbraw/zinc/98/49/22/1091984922.db2.gz RLGUKMJDEHVWLR-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)C[NH+](C)C ZINC001207501474 1091993582 /nfs/dbraw/zinc/99/35/82/1091993582.db2.gz FNAREWVVCPNUAR-GUDVDZBRSA-N 2 1 304.478 3.053 20 0 DGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC001140822382 1092017681 /nfs/dbraw/zinc/01/76/81/1092017681.db2.gz MUTKWHIERFSPLP-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC001140863028 1092037197 /nfs/dbraw/zinc/03/71/97/1092037197.db2.gz VDZZESANMQLWSN-RTBURBONSA-N 2 1 309.457 3.195 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001207691788 1092070855 /nfs/dbraw/zinc/07/08/55/1092070855.db2.gz REYWYQRYLOBDDQ-CVEARBPZSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001207691788 1092070866 /nfs/dbraw/zinc/07/08/66/1092070866.db2.gz REYWYQRYLOBDDQ-CVEARBPZSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691788 1092070874 /nfs/dbraw/zinc/07/08/74/1092070874.db2.gz REYWYQRYLOBDDQ-CVEARBPZSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691788 1092070885 /nfs/dbraw/zinc/07/08/85/1092070885.db2.gz REYWYQRYLOBDDQ-CVEARBPZSA-N 2 1 312.379 3.397 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001140970503 1092089159 /nfs/dbraw/zinc/08/91/59/1092089159.db2.gz KZMCOBQNARGYHE-IBGZPJMESA-N 2 1 319.468 3.153 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140975048 1092091968 /nfs/dbraw/zinc/09/19/68/1092091968.db2.gz BWVUXPHUIPPLNV-UAPYVXQJSA-N 2 1 315.505 3.449 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007091 1092104554 /nfs/dbraw/zinc/10/45/54/1092104554.db2.gz WZWWVCRWUCUKNN-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007091 1092104559 /nfs/dbraw/zinc/10/45/59/1092104559.db2.gz WZWWVCRWUCUKNN-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007091 1092104567 /nfs/dbraw/zinc/10/45/67/1092104567.db2.gz WZWWVCRWUCUKNN-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141007091 1092104572 /nfs/dbraw/zinc/10/45/72/1092104572.db2.gz WZWWVCRWUCUKNN-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP c1coc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012379 1092106378 /nfs/dbraw/zinc/10/63/78/1092106378.db2.gz JXENKSBUYPHYIM-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012379 1092106382 /nfs/dbraw/zinc/10/63/82/1092106382.db2.gz JXENKSBUYPHYIM-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012379 1092106385 /nfs/dbraw/zinc/10/63/85/1092106385.db2.gz JXENKSBUYPHYIM-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001141012379 1092106389 /nfs/dbraw/zinc/10/63/89/1092106389.db2.gz JXENKSBUYPHYIM-ROUUACIJSA-N 2 1 311.429 3.019 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCCCCOc3ccccc3)[C@@H]2C1 ZINC001207838419 1092113482 /nfs/dbraw/zinc/11/34/82/1092113482.db2.gz YBNZYLYHDWNXAB-UHOSZYNNSA-N 2 1 302.462 3.166 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H](OC(C)(C)C)C34CCC4)[C@H]2C1 ZINC001207837884 1092113512 /nfs/dbraw/zinc/11/35/12/1092113512.db2.gz VCOQVENBIDGAMK-VIQHNZTISA-N 2 1 306.494 3.043 20 0 DGADMP CN(Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962704 1092160062 /nfs/dbraw/zinc/16/00/62/1092160062.db2.gz VMIJHYDJTNVBGP-IBGZPJMESA-N 2 1 320.452 3.291 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013130 1092174514 /nfs/dbraw/zinc/17/45/14/1092174514.db2.gz AUCQLIOERTVEPD-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC001141261083 1092194864 /nfs/dbraw/zinc/19/48/64/1092194864.db2.gz IELBUIVKUFPCCS-UHFFFAOYSA-N 2 1 324.472 3.195 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208111458 1092200004 /nfs/dbraw/zinc/20/00/04/1092200004.db2.gz LRESOOFJNBEERX-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208116504 1092202621 /nfs/dbraw/zinc/20/26/21/1092202621.db2.gz WJMVPCOFKFTROE-UHFFFAOYSA-N 2 1 321.553 3.447 20 0 DGADMP CS[C@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208142174 1092216147 /nfs/dbraw/zinc/21/61/47/1092216147.db2.gz NJNJIEXRGHYGJA-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208142174 1092216159 /nfs/dbraw/zinc/21/61/59/1092216159.db2.gz NJNJIEXRGHYGJA-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208142174 1092216173 /nfs/dbraw/zinc/21/61/73/1092216173.db2.gz NJNJIEXRGHYGJA-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208142174 1092216184 /nfs/dbraw/zinc/21/61/84/1092216184.db2.gz NJNJIEXRGHYGJA-KFWWJZLASA-N 2 1 310.532 3.253 20 0 DGADMP CS[C@H](C)CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001208145614 1092218113 /nfs/dbraw/zinc/21/81/13/1092218113.db2.gz WWWLJICHTHSLIT-CABCVRRESA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@H](C)CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001208145614 1092218129 /nfs/dbraw/zinc/21/81/29/1092218129.db2.gz WWWLJICHTHSLIT-CABCVRRESA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@H](C)CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208145614 1092218147 /nfs/dbraw/zinc/21/81/47/1092218147.db2.gz WWWLJICHTHSLIT-CABCVRRESA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@H](C)CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208145614 1092218159 /nfs/dbraw/zinc/21/81/59/1092218159.db2.gz WWWLJICHTHSLIT-CABCVRRESA-N 2 1 324.538 3.242 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)OCO2)CC1(C[NH+](C)C)CCCC1 ZINC001208188851 1092252037 /nfs/dbraw/zinc/25/20/37/1092252037.db2.gz OCOYFMGVDIYVER-UHFFFAOYSA-N 2 1 318.461 3.359 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)CC1(C[NH+](C)C)CCCC1 ZINC001208188851 1092252051 /nfs/dbraw/zinc/25/20/51/1092252051.db2.gz OCOYFMGVDIYVER-UHFFFAOYSA-N 2 1 318.461 3.359 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)ccc2n1 ZINC001141482694 1092254093 /nfs/dbraw/zinc/25/40/93/1092254093.db2.gz GPWLPKHEWUAHGF-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)CC1(c2ccccc2)CCOCC1 ZINC001208234979 1092286759 /nfs/dbraw/zinc/28/67/59/1092286759.db2.gz VGZROTIATCYDRG-UHFFFAOYSA-N 2 1 304.478 3.008 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001168842019 1092395002 /nfs/dbraw/zinc/39/50/02/1092395002.db2.gz LKXSMRGJBALRFG-QGZVFWFLSA-N 2 1 321.428 3.036 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492164317 1092416302 /nfs/dbraw/zinc/41/63/02/1092416302.db2.gz VRSWUZNUHRWIHR-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001208594847 1092416309 /nfs/dbraw/zinc/41/63/09/1092416309.db2.gz ONYARXBIHQXRER-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001208594847 1092416312 /nfs/dbraw/zinc/41/63/12/1092416312.db2.gz ONYARXBIHQXRER-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP CC[NH+]1CCC(CN2CC[N@H+](C3CCCCC3)[C@@H](C)C2)CC1 ZINC001208604494 1092422498 /nfs/dbraw/zinc/42/24/98/1092422498.db2.gz PGVNGPXEINPCIF-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCN(C3CCCCC3)[C@@H](C)C2)CC1 ZINC001208604494 1092422503 /nfs/dbraw/zinc/42/25/03/1092422503.db2.gz PGVNGPXEINPCIF-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCN(C3CCCCC3)[C@@H](C)C2)CC1 ZINC001208604494 1092422505 /nfs/dbraw/zinc/42/25/05/1092422505.db2.gz PGVNGPXEINPCIF-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CCc4c3cccc4F)C2)C1 ZINC001208614673 1092427095 /nfs/dbraw/zinc/42/70/95/1092427095.db2.gz MPFIRTXBTOXPKQ-UZLBHIALSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)C1 ZINC001208614673 1092427101 /nfs/dbraw/zinc/42/71/01/1092427101.db2.gz MPFIRTXBTOXPKQ-UZLBHIALSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)C1 ZINC001208614673 1092427107 /nfs/dbraw/zinc/42/71/07/1092427107.db2.gz MPFIRTXBTOXPKQ-UZLBHIALSA-N 2 1 316.464 3.447 20 0 DGADMP C[C@H](CC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC001208662236 1092445117 /nfs/dbraw/zinc/44/51/17/1092445117.db2.gz BDKXSTITPXNJAN-GOSISDBHSA-N 2 1 323.569 3.408 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001208735552 1092480636 /nfs/dbraw/zinc/48/06/36/1092480636.db2.gz MIGJMQOFYMYWRW-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001208735552 1092480644 /nfs/dbraw/zinc/48/06/44/1092480644.db2.gz MIGJMQOFYMYWRW-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169117175 1092539198 /nfs/dbraw/zinc/53/91/98/1092539198.db2.gz XHKLXWXBRCSFBV-MZADTFQBSA-N 2 1 312.501 3.493 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169119817 1092542846 /nfs/dbraw/zinc/54/28/46/1092542846.db2.gz WQCVVMFKGRPMBB-BCDXTJNWSA-N 2 1 314.473 3.233 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001169123048 1092544295 /nfs/dbraw/zinc/54/42/95/1092544295.db2.gz IGZHBKMCHQWGBL-AFYVEPGGSA-N 2 1 317.521 3.022 20 0 DGADMP COc1cccc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001169122798 1092546434 /nfs/dbraw/zinc/54/64/34/1092546434.db2.gz DSBSKEZDOXQPHB-SFNKJDCFSA-N 2 1 300.446 3.361 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1C1CC[NH2+]CC1)C2 ZINC001169126151 1092548075 /nfs/dbraw/zinc/54/80/75/1092548075.db2.gz QIFBPBPECHVNDF-BJWYYQGGSA-N 2 1 324.472 3.301 20 0 DGADMP CC(C)Nc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169137296 1092550161 /nfs/dbraw/zinc/55/01/61/1092550161.db2.gz KMXXBLDLNBXZLO-SUMWQHHRSA-N 2 1 305.470 3.253 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169139690 1092552110 /nfs/dbraw/zinc/55/21/10/1092552110.db2.gz DLKHTGDPSIZVFQ-YDZRNGNQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139690 1092552122 /nfs/dbraw/zinc/55/21/22/1092552122.db2.gz DLKHTGDPSIZVFQ-YDZRNGNQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139690 1092552128 /nfs/dbraw/zinc/55/21/28/1092552128.db2.gz DLKHTGDPSIZVFQ-YDZRNGNQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169139689 1092552285 /nfs/dbraw/zinc/55/22/85/1092552285.db2.gz DLKHTGDPSIZVFQ-RDGPPVDQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139689 1092552293 /nfs/dbraw/zinc/55/22/93/1092552293.db2.gz DLKHTGDPSIZVFQ-RDGPPVDQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139689 1092552305 /nfs/dbraw/zinc/55/23/05/1092552305.db2.gz DLKHTGDPSIZVFQ-RDGPPVDQSA-N 2 1 314.473 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)C2 ZINC001169108626 1092552827 /nfs/dbraw/zinc/55/28/27/1092552827.db2.gz UEFSNBBCEIZGQJ-REPLKXPHSA-N 2 1 313.489 3.392 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@@H]1c1ccccc1)C2 ZINC001169141257 1092557016 /nfs/dbraw/zinc/55/70/16/1092557016.db2.gz PFOZCWNRCFCOAS-VSZNYVQBSA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCSC[C@@H]1c1ccccc1)C2 ZINC001169141257 1092557028 /nfs/dbraw/zinc/55/70/28/1092557028.db2.gz PFOZCWNRCFCOAS-VSZNYVQBSA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCSC[C@@H]1c1ccccc1)C2 ZINC001169141257 1092557041 /nfs/dbraw/zinc/55/70/41/1092557041.db2.gz PFOZCWNRCFCOAS-VSZNYVQBSA-N 2 1 302.487 3.402 20 0 DGADMP CC1(C)C[C@H](Nc2cc[nH+]c(N3CCCC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169142670 1092557816 /nfs/dbraw/zinc/55/78/16/1092557816.db2.gz NMRNNBVAKSEEOI-KSSFIOAISA-N 2 1 317.481 3.032 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)OCc1ccccc13)C2 ZINC001169142818 1092560025 /nfs/dbraw/zinc/56/00/25/1092560025.db2.gz WHYIMMBQCWLVGY-BCDXTJNWSA-N 2 1 312.457 3.133 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142852685 1092567658 /nfs/dbraw/zinc/56/76/58/1092567658.db2.gz IXMPGAHVMLTJLU-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142852685 1092567668 /nfs/dbraw/zinc/56/76/68/1092567668.db2.gz IXMPGAHVMLTJLU-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142852685 1092567675 /nfs/dbraw/zinc/56/76/75/1092567675.db2.gz IXMPGAHVMLTJLU-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC001142852685 1092567683 /nfs/dbraw/zinc/56/76/83/1092567683.db2.gz IXMPGAHVMLTJLU-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206004384 1092582411 /nfs/dbraw/zinc/58/24/11/1092582411.db2.gz RYTMKJRAXSFTNP-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931239 1092592853 /nfs/dbraw/zinc/59/28/53/1092592853.db2.gz IPTDSGPPTJSVPJ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931239 1092592859 /nfs/dbraw/zinc/59/28/59/1092592859.db2.gz IPTDSGPPTJSVPJ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931239 1092592868 /nfs/dbraw/zinc/59/28/68/1092592868.db2.gz IPTDSGPPTJSVPJ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931239 1092592877 /nfs/dbraw/zinc/59/28/77/1092592877.db2.gz IPTDSGPPTJSVPJ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@]4(CCCO4)C3)C2)cc1 ZINC001208933598 1092596086 /nfs/dbraw/zinc/59/60/86/1092596086.db2.gz WJLPGCWXCYONLW-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@]4(CCCO4)C3)C2)cc1 ZINC001208933598 1092596096 /nfs/dbraw/zinc/59/60/96/1092596096.db2.gz WJLPGCWXCYONLW-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@]4(CCCO4)C3)C2)cc1 ZINC001208933598 1092596106 /nfs/dbraw/zinc/59/61/06/1092596106.db2.gz WJLPGCWXCYONLW-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC001208934749 1092596765 /nfs/dbraw/zinc/59/67/65/1092596765.db2.gz GKGMVQCGYMFQJZ-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC001208934749 1092596775 /nfs/dbraw/zinc/59/67/75/1092596775.db2.gz GKGMVQCGYMFQJZ-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCCO1 ZINC001208934749 1092596784 /nfs/dbraw/zinc/59/67/84/1092596784.db2.gz GKGMVQCGYMFQJZ-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@]4(C3)CCCCO4)C2)cc1 ZINC001208940351 1092602859 /nfs/dbraw/zinc/60/28/59/1092602859.db2.gz BTPTUTGUQBSFEI-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@]4(C3)CCCCO4)C2)cc1 ZINC001208940351 1092602863 /nfs/dbraw/zinc/60/28/63/1092602863.db2.gz BTPTUTGUQBSFEI-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@]4(C3)CCCCO4)C2)cc1 ZINC001208940351 1092602866 /nfs/dbraw/zinc/60/28/66/1092602866.db2.gz BTPTUTGUQBSFEI-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2cccc3ccccc32)CC1 ZINC001169230282 1092603446 /nfs/dbraw/zinc/60/34/46/1092603446.db2.gz VTBWKQXADFFIJI-FQEVSTJZSA-N 2 1 312.457 3.337 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001169264993 1092607015 /nfs/dbraw/zinc/60/70/15/1092607015.db2.gz KBETUCINJWNNMI-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001169264993 1092607024 /nfs/dbraw/zinc/60/70/24/1092607024.db2.gz KBETUCINJWNNMI-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CC[NH+]1CCC([NH2+]C2(CCOC)CCC(F)(F)CC2)CC1 ZINC001169240101 1092612327 /nfs/dbraw/zinc/61/23/27/1092612327.db2.gz DKRZXRIVNVLGHW-UHFFFAOYSA-N 2 1 304.425 3.045 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC001169254307 1092619178 /nfs/dbraw/zinc/61/91/78/1092619178.db2.gz BYRNUMODYHDYMV-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC1 ZINC001169258525 1092620596 /nfs/dbraw/zinc/62/05/96/1092620596.db2.gz LHGHJVPEXRVQAV-IBGZPJMESA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC1 ZINC001169258525 1092620600 /nfs/dbraw/zinc/62/06/00/1092620600.db2.gz LHGHJVPEXRVQAV-IBGZPJMESA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001169258811 1092621351 /nfs/dbraw/zinc/62/13/51/1092621351.db2.gz SYHHOHUNMJLWIL-UHFFFAOYSA-N 2 1 320.452 3.291 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001276610502 1092631259 /nfs/dbraw/zinc/63/12/59/1092631259.db2.gz RWWRXAYZROVHDU-HDICACEKSA-N 2 1 324.472 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001276610502 1092631263 /nfs/dbraw/zinc/63/12/63/1092631263.db2.gz RWWRXAYZROVHDU-HDICACEKSA-N 2 1 324.472 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001276610502 1092631270 /nfs/dbraw/zinc/63/12/70/1092631270.db2.gz RWWRXAYZROVHDU-HDICACEKSA-N 2 1 324.472 3.159 20 0 DGADMP O=c1cc(CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617355 1092663682 /nfs/dbraw/zinc/66/36/82/1092663682.db2.gz GZYOUSYOCKGDPY-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617355 1092663684 /nfs/dbraw/zinc/66/36/84/1092663684.db2.gz GZYOUSYOCKGDPY-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617355 1092663686 /nfs/dbraw/zinc/66/36/86/1092663686.db2.gz GZYOUSYOCKGDPY-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617355 1092663688 /nfs/dbraw/zinc/66/36/88/1092663688.db2.gz GZYOUSYOCKGDPY-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617355 1092663690 /nfs/dbraw/zinc/66/36/90/1092663690.db2.gz GZYOUSYOCKGDPY-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001206011739 1092687527 /nfs/dbraw/zinc/68/75/27/1092687527.db2.gz FWYRWAONYLOFQC-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP COCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209220322 1092698966 /nfs/dbraw/zinc/69/89/66/1092698966.db2.gz XYJBDOVNCKOXIE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209220322 1092698968 /nfs/dbraw/zinc/69/89/68/1092698968.db2.gz XYJBDOVNCKOXIE-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP c1ccc(OCC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001209301328 1092729376 /nfs/dbraw/zinc/72/93/76/1092729376.db2.gz ATVNGHXOGCVHKA-GOSISDBHSA-N 2 1 302.462 3.406 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001209324259 1092735133 /nfs/dbraw/zinc/73/51/33/1092735133.db2.gz ZOWYOVXTESPCGS-IBGZPJMESA-N 2 1 308.425 3.258 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001206633138 1092766269 /nfs/dbraw/zinc/76/62/69/1092766269.db2.gz UOYPEILDOFUNNQ-NSHDSACASA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001206633138 1092766273 /nfs/dbraw/zinc/76/62/73/1092766273.db2.gz UOYPEILDOFUNNQ-NSHDSACASA-N 2 1 320.330 3.285 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206633712 1092770872 /nfs/dbraw/zinc/77/08/72/1092770872.db2.gz ZQGPCNCVXVFYBZ-ZDUSSCGKSA-N 2 1 324.852 3.078 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206633712 1092770877 /nfs/dbraw/zinc/77/08/77/1092770877.db2.gz ZQGPCNCVXVFYBZ-ZDUSSCGKSA-N 2 1 324.852 3.078 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(-n4cc[nH+]c4C)cc3)(C1)CCC2 ZINC001276663653 1092874933 /nfs/dbraw/zinc/87/49/33/1092874933.db2.gz GKDOIPPHTOPIPK-VQTJNVASSA-N 3 1 324.472 3.335 20 0 DGADMP Cc1cc(Br)sc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640731 1092889540 /nfs/dbraw/zinc/88/95/40/1092889540.db2.gz LYRVCLREJXDZOR-NSHDSACASA-N 2 1 317.296 3.380 20 0 DGADMP Cc1cc(Br)sc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640731 1092889544 /nfs/dbraw/zinc/88/95/44/1092889544.db2.gz LYRVCLREJXDZOR-NSHDSACASA-N 2 1 317.296 3.380 20 0 DGADMP Fc1ccc(Cl)c(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266585 1093101960 /nfs/dbraw/zinc/10/19/60/1093101960.db2.gz ONOIJLRGNKSUKX-UHFFFAOYSA-N 2 1 324.762 3.166 20 0 DGADMP Cc1nc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)c[nH]1 ZINC001276682499 1093130744 /nfs/dbraw/zinc/13/07/44/1093130744.db2.gz NUWRKNHCZKEUMC-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210703724 1093253819 /nfs/dbraw/zinc/25/38/19/1093253819.db2.gz DHEXAONVPFJLOC-CYBMUJFWSA-N 2 1 311.351 3.466 20 0 DGADMP C[N@@H+]1CCC2(C[NH+](C[C@H]3CC=C(CCCC(C)(C)O)CC3)C2)C1 ZINC001276695558 1093403335 /nfs/dbraw/zinc/40/33/35/1093403335.db2.gz DQJWBLDWTXSSKM-SFHVURJKSA-N 2 1 320.521 3.292 20 0 DGADMP C[N@H+]1CCC2(C[NH+](C[C@H]3CC=C(CCCC(C)(C)O)CC3)C2)C1 ZINC001276695558 1093403340 /nfs/dbraw/zinc/40/33/40/1093403340.db2.gz DQJWBLDWTXSSKM-SFHVURJKSA-N 2 1 320.521 3.292 20 0 DGADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CCCC1CCCCC1)C2 ZINC001276746184 1094250320 /nfs/dbraw/zinc/25/03/20/1094250320.db2.gz MYEOQGNGHZDERV-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CN(C)CC[NH+]1CC2(C1)CC[NH+](CCCC1CCCCC1)CC2 ZINC001276746464 1094252808 /nfs/dbraw/zinc/25/28/08/1094252808.db2.gz WHXCYONLMHGJCN-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP C[C@@H]1C[C@@H](N(CC[NH3+])Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000307716024 1094261452 /nfs/dbraw/zinc/26/14/52/1094261452.db2.gz JMYZVJNUZGIDSE-WIYYLYMNSA-N 2 1 323.484 3.110 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cnc1Cl ZINC001119989598 1094335912 /nfs/dbraw/zinc/33/59/12/1094335912.db2.gz QHKVIIDKYLAVFO-XHSDSOJGSA-N 2 1 307.869 3.206 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cnc1Cl ZINC001119989591 1094336207 /nfs/dbraw/zinc/33/62/07/1094336207.db2.gz QHKVIIDKYLAVFO-ARFHVFGLSA-N 2 1 307.869 3.206 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(O)cc(Cl)c3)C[C@@H]2C1 ZINC001119989316 1094336682 /nfs/dbraw/zinc/33/66/82/1094336682.db2.gz OPIIICWVTSMZSY-IJEWVQPXSA-N 2 1 308.853 3.208 20 0 DGADMP O=C(c1cccs1)C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC001120361830 1094413656 /nfs/dbraw/zinc/41/36/56/1094413656.db2.gz DXSHJPZSEGTMIN-AWEZNQCLSA-N 2 1 306.475 3.033 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217723061 1094484596 /nfs/dbraw/zinc/48/45/96/1094484596.db2.gz MKNVGFLALIQQGF-NUEKZKHPSA-N 2 1 314.433 3.105 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217723061 1094484600 /nfs/dbraw/zinc/48/46/00/1094484600.db2.gz MKNVGFLALIQQGF-NUEKZKHPSA-N 2 1 314.433 3.105 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCC1CC[NH2+]CC1 ZINC001217769764 1094492484 /nfs/dbraw/zinc/49/24/84/1094492484.db2.gz YNFNMEVWXGLVOQ-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823502 1094500148 /nfs/dbraw/zinc/50/01/48/1094500148.db2.gz YYVQCNQFTLSHSM-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC001217910586 1094516179 /nfs/dbraw/zinc/51/61/79/1094516179.db2.gz MILWSTFGJMQBIK-NVXWUHKLSA-N 2 1 322.880 3.321 20 0 DGADMP [NH3+]CCCCCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001217911872 1094516206 /nfs/dbraw/zinc/51/62/06/1094516206.db2.gz RWMIBQQAEWFBOZ-QGZVFWFLSA-N 2 1 310.869 3.450 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217939544 1094521208 /nfs/dbraw/zinc/52/12/08/1094521208.db2.gz QUDPFDAVDBZGLY-BJLQDIEVSA-N 2 1 316.489 3.303 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001135437754 1094537854 /nfs/dbraw/zinc/53/78/54/1094537854.db2.gz WQSGOAODHITAJJ-UHFFFAOYSA-N 2 1 323.525 3.095 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767277 1094563840 /nfs/dbraw/zinc/56/38/40/1094563840.db2.gz NMWAUQCIHVOXIS-LJQANCHMSA-N 2 1 300.446 3.025 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767277 1094563846 /nfs/dbraw/zinc/56/38/46/1094563846.db2.gz NMWAUQCIHVOXIS-LJQANCHMSA-N 2 1 300.446 3.025 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767277 1094563847 /nfs/dbraw/zinc/56/38/47/1094563847.db2.gz NMWAUQCIHVOXIS-LJQANCHMSA-N 2 1 300.446 3.025 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767277 1094563855 /nfs/dbraw/zinc/56/38/55/1094563855.db2.gz NMWAUQCIHVOXIS-LJQANCHMSA-N 2 1 300.446 3.025 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170833251 1094606441 /nfs/dbraw/zinc/60/64/41/1094606441.db2.gz HBNSHHGTBCFMAV-IBGZPJMESA-N 2 1 320.452 3.291 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170833251 1094606447 /nfs/dbraw/zinc/60/64/47/1094606447.db2.gz HBNSHHGTBCFMAV-IBGZPJMESA-N 2 1 320.452 3.291 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001336284951 1094614598 /nfs/dbraw/zinc/61/45/98/1094614598.db2.gz FIQCAOMKIACYDO-JSGCOSHPSA-N 2 1 318.852 3.147 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC ZINC001135690541 1094636305 /nfs/dbraw/zinc/63/63/05/1094636305.db2.gz IPEBDZXKZMROIJ-IRXDYDNUSA-N 2 1 313.530 3.172 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001135691475 1094637378 /nfs/dbraw/zinc/63/73/78/1094637378.db2.gz VDHBYQMDDQICNC-IAGOWNOFSA-N 2 1 313.530 3.027 20 0 DGADMP Cc1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc2c1CC[NH2+]C2 ZINC001218318347 1094714294 /nfs/dbraw/zinc/71/42/94/1094714294.db2.gz UGTSYCCUALAPJC-PIIMJCKOSA-N 2 1 314.473 3.423 20 0 DGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC001336797064 1094742364 /nfs/dbraw/zinc/74/23/64/1094742364.db2.gz CAFZSUNNGNWOTG-QAPCUYQASA-N 2 1 322.880 3.085 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000309706249 1094758587 /nfs/dbraw/zinc/75/85/87/1094758587.db2.gz HWANGOJKKCTTCO-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001336888708 1094772451 /nfs/dbraw/zinc/77/24/51/1094772451.db2.gz LEUNJAIRVNAYQI-BZSNNMDCSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(CC)CC ZINC001135996991 1094786043 /nfs/dbraw/zinc/78/60/43/1094786043.db2.gz WRWUCEZUXACFDI-JKSUJKDBSA-N 2 1 313.530 3.027 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001276806246 1094993267 /nfs/dbraw/zinc/99/32/67/1094993267.db2.gz WHQUJDNXDYTLCG-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001276806246 1094993277 /nfs/dbraw/zinc/99/32/77/1094993277.db2.gz WHQUJDNXDYTLCG-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001276806246 1094993284 /nfs/dbraw/zinc/99/32/84/1094993284.db2.gz WHQUJDNXDYTLCG-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000314094536 1095033373 /nfs/dbraw/zinc/03/33/73/1095033373.db2.gz YDYHWLPOPFUHIB-ZDUSSCGKSA-N 2 1 302.340 3.146 20 0 DGADMP c1ccc(COC[C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000699224900 1095073959 /nfs/dbraw/zinc/07/39/59/1095073959.db2.gz CSPCDKPWKZYQDY-UMQXSMKFSA-N 2 1 314.473 3.056 20 0 DGADMP CCCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316808598 1095193822 /nfs/dbraw/zinc/19/38/22/1095193822.db2.gz ODSGXQCDZSXLNU-OTWHNJEPSA-N 2 1 302.462 3.371 20 0 DGADMP CCCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316808598 1095193829 /nfs/dbraw/zinc/19/38/29/1095193829.db2.gz ODSGXQCDZSXLNU-OTWHNJEPSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055402 1095210283 /nfs/dbraw/zinc/21/02/83/1095210283.db2.gz HCROKJBQHOTCJA-YJBOKZPZSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055402 1095210290 /nfs/dbraw/zinc/21/02/90/1095210290.db2.gz HCROKJBQHOTCJA-YJBOKZPZSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171055402 1095210298 /nfs/dbraw/zinc/21/02/98/1095210298.db2.gz HCROKJBQHOTCJA-YJBOKZPZSA-N 2 1 304.865 3.225 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C1(C[NH3+])CCC1 ZINC001246355625 1095246603 /nfs/dbraw/zinc/24/66/03/1095246603.db2.gz KZXXNYMYMFHKPN-JTQLQIEISA-N 2 1 302.796 3.410 20 0 DGADMP c1nc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2[nH]1 ZINC001137045362 1095303628 /nfs/dbraw/zinc/30/36/28/1095303628.db2.gz DPHFHQHFGUOQKN-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2[nH]1 ZINC001137045362 1095303639 /nfs/dbraw/zinc/30/36/39/1095303639.db2.gz DPHFHQHFGUOQKN-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2[nH]1 ZINC001137045362 1095303648 /nfs/dbraw/zinc/30/36/48/1095303648.db2.gz DPHFHQHFGUOQKN-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP CC[C@]1([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246464678 1095305044 /nfs/dbraw/zinc/30/50/44/1095305044.db2.gz SLFNNNPDBSPAPA-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP COc1c(F)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC001143847306 1095402478 /nfs/dbraw/zinc/40/24/78/1095402478.db2.gz HWDSYUBVNKRMPP-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC001116033266 1095442496 /nfs/dbraw/zinc/44/24/96/1095442496.db2.gz XQUMRXYCFSHQRX-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1C ZINC001222148424 1095457420 /nfs/dbraw/zinc/45/74/20/1095457420.db2.gz OOLGQZSBDUJODX-LJQANCHMSA-N 2 1 302.462 3.196 20 0 DGADMP COc1ncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1C ZINC001222160574 1095467294 /nfs/dbraw/zinc/46/72/94/1095467294.db2.gz GCFRABHGOXEXRF-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1C ZINC001222160574 1095467298 /nfs/dbraw/zinc/46/72/98/1095467298.db2.gz GCFRABHGOXEXRF-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161867 1095468575 /nfs/dbraw/zinc/46/85/75/1095468575.db2.gz RYZFFGLRILFDPD-IEBWSBKVSA-N 2 1 324.509 3.212 20 0 DGADMP COC1CCC(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001222161902 1095469014 /nfs/dbraw/zinc/46/90/14/1095469014.db2.gz SONKVKYIJJDKQK-ACBHZAAOSA-N 2 1 308.510 3.437 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1N ZINC001222167576 1095473645 /nfs/dbraw/zinc/47/36/45/1095473645.db2.gz OPCYALFNHPLMNF-IBGZPJMESA-N 2 1 317.477 3.023 20 0 DGADMP c1nn2ccccc2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167372 1095474095 /nfs/dbraw/zinc/47/40/95/1095474095.db2.gz KXZGKDGQBQOTHC-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP Cc1c(C)c(C)c(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c(C)c1C ZINC001222186823 1095482066 /nfs/dbraw/zinc/48/20/66/1095482066.db2.gz RGOGVRWQAGTPHO-UHFFFAOYSA-N 2 1 316.489 3.183 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222216107 1095496509 /nfs/dbraw/zinc/49/65/09/1095496509.db2.gz WCDIOVXOFGOPTF-SJORKVTESA-N 2 1 324.509 3.210 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC001116292877 1095508318 /nfs/dbraw/zinc/50/83/18/1095508318.db2.gz GHZWCWYRJREWBT-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1OC ZINC001222264884 1095518444 /nfs/dbraw/zinc/51/84/44/1095518444.db2.gz JXCQNXRYUKBBMJ-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1OC ZINC001222264884 1095518457 /nfs/dbraw/zinc/51/84/57/1095518457.db2.gz JXCQNXRYUKBBMJ-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222265097 1095520105 /nfs/dbraw/zinc/52/01/05/1095520105.db2.gz OIOQLISZMFKHSU-KRWDZBQOSA-N 2 1 310.388 3.254 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222265097 1095520113 /nfs/dbraw/zinc/52/01/13/1095520113.db2.gz OIOQLISZMFKHSU-KRWDZBQOSA-N 2 1 310.388 3.254 20 0 DGADMP c1nc2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001222272100 1095523405 /nfs/dbraw/zinc/52/34/05/1095523405.db2.gz NTRPPAIXDGLRTC-QGZVFWFLSA-N 2 1 301.459 3.262 20 0 DGADMP c1nc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001222272100 1095523410 /nfs/dbraw/zinc/52/34/10/1095523410.db2.gz NTRPPAIXDGLRTC-QGZVFWFLSA-N 2 1 301.459 3.262 20 0 DGADMP CCc1cc(C[N@H+](C)C2CCN(CC)CC2)cc(CC)c1O ZINC001144147466 1095536164 /nfs/dbraw/zinc/53/61/64/1095536164.db2.gz AMTBFPQLZKYBBE-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP CCc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc(CC)c1O ZINC001144147466 1095536189 /nfs/dbraw/zinc/53/61/89/1095536189.db2.gz AMTBFPQLZKYBBE-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222308768 1095541979 /nfs/dbraw/zinc/54/19/79/1095541979.db2.gz MMKIKOFRIUDTPR-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(C)c1 ZINC001222314098 1095544924 /nfs/dbraw/zinc/54/49/24/1095544924.db2.gz CKCYRRPWPNLXHQ-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116430665 1095549207 /nfs/dbraw/zinc/54/92/07/1095549207.db2.gz FUUHNMLGPUBPBI-CVEARBPZSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116430665 1095549216 /nfs/dbraw/zinc/54/92/16/1095549216.db2.gz FUUHNMLGPUBPBI-CVEARBPZSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116430665 1095549226 /nfs/dbraw/zinc/54/92/26/1095549226.db2.gz FUUHNMLGPUBPBI-CVEARBPZSA-N 2 1 312.461 3.227 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222320297 1095550814 /nfs/dbraw/zinc/55/08/14/1095550814.db2.gz GFUUAIYFEWBWRL-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222320297 1095550825 /nfs/dbraw/zinc/55/08/25/1095550825.db2.gz GFUUAIYFEWBWRL-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222320703 1095551509 /nfs/dbraw/zinc/55/15/09/1095551509.db2.gz LCMPVAJDEDPFIH-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP COc1ccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384960 1095584187 /nfs/dbraw/zinc/58/41/87/1095584187.db2.gz CJYIAFUGPBYTHK-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384960 1095584195 /nfs/dbraw/zinc/58/41/95/1095584195.db2.gz CJYIAFUGPBYTHK-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP c1ccc(CCCCC[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222400683 1095596195 /nfs/dbraw/zinc/59/61/95/1095596195.db2.gz DCTUGRDTXKTWJP-UHFFFAOYSA-N 2 1 316.489 3.101 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222465800 1095628960 /nfs/dbraw/zinc/62/89/60/1095628960.db2.gz YWPKCTWUBDPMQT-UYAOXDASSA-N 2 1 320.521 3.482 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222465791 1095628981 /nfs/dbraw/zinc/62/89/81/1095628981.db2.gz YWPKCTWUBDPMQT-AZUAARDMSA-N 2 1 320.521 3.482 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222465795 1095629280 /nfs/dbraw/zinc/62/92/80/1095629280.db2.gz YWPKCTWUBDPMQT-ICSRJNTNSA-N 2 1 320.521 3.482 20 0 DGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001116692336 1095635405 /nfs/dbraw/zinc/63/54/05/1095635405.db2.gz ZNSCXZPGLZLFDU-QGZVFWFLSA-N 2 1 304.478 3.434 20 0 DGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276830772 1095648526 /nfs/dbraw/zinc/64/85/26/1095648526.db2.gz SYQJXIDOHVHXPM-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276830772 1095648530 /nfs/dbraw/zinc/64/85/30/1095648530.db2.gz SYQJXIDOHVHXPM-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276830772 1095648534 /nfs/dbraw/zinc/64/85/34/1095648534.db2.gz SYQJXIDOHVHXPM-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP CCc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602085 1095688083 /nfs/dbraw/zinc/68/80/83/1095688083.db2.gz HMUUVBLVTGEZDR-FQEVSTJZSA-N 2 1 306.453 3.438 20 0 DGADMP CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)s1 ZINC001222609184 1095691609 /nfs/dbraw/zinc/69/16/09/1095691609.db2.gz LUCWQFITAPIZGZ-GOSISDBHSA-N 2 1 312.482 3.500 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620428 1095695607 /nfs/dbraw/zinc/69/56/07/1095695607.db2.gz RRKUOKRSKDVIHR-SWLSCSKDSA-N 2 1 314.351 3.077 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222623863 1095698372 /nfs/dbraw/zinc/69/83/72/1095698372.db2.gz OMIQIYWHXPXFKJ-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC001222629486 1095700423 /nfs/dbraw/zinc/70/04/23/1095700423.db2.gz JJMZEXONMGOCHL-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629150 1095701156 /nfs/dbraw/zinc/70/11/56/1095701156.db2.gz BYYOEZCTZYUERX-CALCHBBNSA-N 2 1 302.462 3.214 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001276859967 1095830408 /nfs/dbraw/zinc/83/04/08/1095830408.db2.gz DBGVOBHLIMNIEO-FQEVSTJZSA-N 2 1 313.489 3.499 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001276859967 1095830428 /nfs/dbraw/zinc/83/04/28/1095830428.db2.gz DBGVOBHLIMNIEO-FQEVSTJZSA-N 2 1 313.489 3.499 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001276859967 1095830451 /nfs/dbraw/zinc/83/04/51/1095830451.db2.gz DBGVOBHLIMNIEO-FQEVSTJZSA-N 2 1 313.489 3.499 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001340063409 1095843663 /nfs/dbraw/zinc/84/36/63/1095843663.db2.gz KTTNAACVNGLGLP-VXGBXAGGSA-N 2 1 300.418 3.304 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001276872383 1095905803 /nfs/dbraw/zinc/90/58/03/1095905803.db2.gz ISABOZMKZHFGIT-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001276872383 1095905808 /nfs/dbraw/zinc/90/58/08/1095905808.db2.gz ISABOZMKZHFGIT-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001276872383 1095905813 /nfs/dbraw/zinc/90/58/13/1095905813.db2.gz ISABOZMKZHFGIT-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171246614 1095915302 /nfs/dbraw/zinc/91/53/02/1095915302.db2.gz GIIKYIHMSXYQAH-AEFFLSMTSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246638787 1095948956 /nfs/dbraw/zinc/94/89/56/1095948956.db2.gz TXICEZUXWTVULY-CZUORRHYSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246638787 1095948961 /nfs/dbraw/zinc/94/89/61/1095948961.db2.gz TXICEZUXWTVULY-CZUORRHYSA-N 2 1 323.278 3.208 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180146 1095950846 /nfs/dbraw/zinc/95/08/46/1095950846.db2.gz DVSSGNOFIRXKCI-UHFFFAOYSA-N 2 1 310.445 3.042 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180146 1095950855 /nfs/dbraw/zinc/95/08/55/1095950855.db2.gz DVSSGNOFIRXKCI-UHFFFAOYSA-N 2 1 310.445 3.042 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180146 1095950861 /nfs/dbraw/zinc/95/08/61/1095950861.db2.gz DVSSGNOFIRXKCI-UHFFFAOYSA-N 2 1 310.445 3.042 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001118181514 1095951190 /nfs/dbraw/zinc/95/11/90/1095951190.db2.gz ZAPRMTOLMYGFBL-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649903 1095960817 /nfs/dbraw/zinc/96/08/17/1095960817.db2.gz RMSVEAYDODDIBR-XJKSGUPXSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649903 1095960824 /nfs/dbraw/zinc/96/08/24/1095960824.db2.gz RMSVEAYDODDIBR-XJKSGUPXSA-N 2 1 323.278 3.208 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC001118494368 1096021339 /nfs/dbraw/zinc/02/13/39/1096021339.db2.gz FIKVQBWXAHWQQD-LJQANCHMSA-N 3 1 309.542 3.066 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC001118798564 1096078229 /nfs/dbraw/zinc/07/82/29/1096078229.db2.gz DUQMCGGARCLSHD-QGZVFWFLSA-N 2 1 319.468 3.257 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)C1CCC([NH3+])CC1)CC2 ZINC001171290368 1096127655 /nfs/dbraw/zinc/12/76/55/1096127655.db2.gz XCRAWGWFKMWIGX-RUXDESIVSA-N 2 1 322.880 3.408 20 0 DGADMP Nc1cc(-n2c(CC[NH3+])cc3ccccc32)[nH+]cc1C(F)(F)F ZINC001171301405 1096191888 /nfs/dbraw/zinc/19/18/88/1096191888.db2.gz NRDURQWIVBJIIM-UHFFFAOYSA-N 2 1 320.318 3.128 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001224703164 1096266298 /nfs/dbraw/zinc/26/62/98/1096266298.db2.gz QRFZTYRMCJCVPG-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001224707659 1096269942 /nfs/dbraw/zinc/26/99/42/1096269942.db2.gz SFOQUWGHAMLWGG-ZWKOTPCHSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707659 1096269950 /nfs/dbraw/zinc/26/99/50/1096269950.db2.gz SFOQUWGHAMLWGG-ZWKOTPCHSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224707659 1096269953 /nfs/dbraw/zinc/26/99/53/1096269953.db2.gz SFOQUWGHAMLWGG-ZWKOTPCHSA-N 2 1 322.880 3.415 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001224817451 1096291648 /nfs/dbraw/zinc/29/16/48/1096291648.db2.gz QEXNOYRHGRDXPB-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001224817451 1096291657 /nfs/dbraw/zinc/29/16/57/1096291657.db2.gz QEXNOYRHGRDXPB-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001224817451 1096291664 /nfs/dbraw/zinc/29/16/64/1096291664.db2.gz QEXNOYRHGRDXPB-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCC[NH+]1C ZINC001224820943 1096292319 /nfs/dbraw/zinc/29/23/19/1096292319.db2.gz XXXLOHWTLXBCGQ-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224820943 1096292324 /nfs/dbraw/zinc/29/23/24/1096292324.db2.gz XXXLOHWTLXBCGQ-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224820943 1096292333 /nfs/dbraw/zinc/29/23/33/1096292333.db2.gz XXXLOHWTLXBCGQ-NZSAHSFTSA-N 2 1 302.462 3.008 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001224832282 1096296741 /nfs/dbraw/zinc/29/67/41/1096296741.db2.gz UWAQWRPNPPCTNM-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC001224833115 1096296762 /nfs/dbraw/zinc/29/67/62/1096296762.db2.gz ZLPFGHKZXZGUJX-VNTMZGSJSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001224833115 1096296771 /nfs/dbraw/zinc/29/67/71/1096296771.db2.gz ZLPFGHKZXZGUJX-VNTMZGSJSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001224833115 1096296780 /nfs/dbraw/zinc/29/67/80/1096296780.db2.gz ZLPFGHKZXZGUJX-VNTMZGSJSA-N 2 1 314.473 3.008 20 0 DGADMP CC[N@H+]1CC[C@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224830413 1096297225 /nfs/dbraw/zinc/29/72/25/1096297225.db2.gz NYEDARJFQMAYEG-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224830413 1096297232 /nfs/dbraw/zinc/29/72/32/1096297232.db2.gz NYEDARJFQMAYEG-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830413 1096297240 /nfs/dbraw/zinc/29/72/40/1096297240.db2.gz NYEDARJFQMAYEG-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1cc[nH+]c(N2CCC(OCCC[NH+]3CCCCC3)CC2)c1 ZINC001224858311 1096302294 /nfs/dbraw/zinc/30/22/94/1096302294.db2.gz BWIGNEAIISGTHI-UHFFFAOYSA-N 2 1 317.477 3.251 20 0 DGADMP COc1cc(N2CCC3(CC[N@H+](C4CCCC4)C3)CC2)ccn1 ZINC001277076036 1096541011 /nfs/dbraw/zinc/54/10/11/1096541011.db2.gz TTYSONZATMBIMC-UHFFFAOYSA-N 2 1 315.461 3.325 20 0 DGADMP Cc1cccn2c(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cnc12 ZINC001171613196 1096934614 /nfs/dbraw/zinc/93/46/14/1096934614.db2.gz HFEHGYROQRLQHG-UHFFFAOYSA-N 2 1 314.477 3.384 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)c2ccc(F)cc2)CC1(C)C ZINC001171613313 1096934675 /nfs/dbraw/zinc/93/46/75/1096934675.db2.gz ITHSXWWKJUPNMT-INIZCTEOSA-N 2 1 308.441 3.100 20 0 DGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1O ZINC001171627318 1096938610 /nfs/dbraw/zinc/93/86/10/1096938610.db2.gz OXYWIUYTMROWSL-UHFFFAOYSA-N 2 1 306.450 3.142 20 0 DGADMP Cc1noc2ccc(C[NH+]3CCC[C@]4(CCC[N@@H+](C)C4)C3)cc12 ZINC001277216894 1096945166 /nfs/dbraw/zinc/94/51/66/1096945166.db2.gz JGMSHTRJNRCALL-IBGZPJMESA-N 2 1 313.445 3.444 20 0 DGADMP Cc1noc2ccc(C[NH+]3CCC[C@]4(CCC[N@H+](C)C4)C3)cc12 ZINC001277216894 1096945171 /nfs/dbraw/zinc/94/51/71/1096945171.db2.gz JGMSHTRJNRCALL-IBGZPJMESA-N 2 1 313.445 3.444 20 0 DGADMP Cc1noc2ccc(C[N@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)cc12 ZINC001277216894 1096945173 /nfs/dbraw/zinc/94/51/73/1096945173.db2.gz JGMSHTRJNRCALL-IBGZPJMESA-N 2 1 313.445 3.444 20 0 DGADMP Cc1noc2ccc(C[N@@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)cc12 ZINC001277216894 1096945175 /nfs/dbraw/zinc/94/51/75/1096945175.db2.gz JGMSHTRJNRCALL-IBGZPJMESA-N 2 1 313.445 3.444 20 0 DGADMP C[C@H]1C[C@@H](n2nc(C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725865 1096956164 /nfs/dbraw/zinc/95/61/64/1096956164.db2.gz ONCSJPRSERNGSQ-DOTOQJQBSA-N 2 1 320.440 3.331 20 0 DGADMP C[NH2+]Cc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171759388 1096964473 /nfs/dbraw/zinc/96/44/73/1096964473.db2.gz JFRBBKZNVKSGON-OXQOHEQNSA-N 2 1 309.457 3.481 20 0 DGADMP C[C@H]1C[C@@H](N(C)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171761091 1096964803 /nfs/dbraw/zinc/96/48/03/1096964803.db2.gz BTEQZXGWIIAEAN-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)N([C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH3+] ZINC001171741241 1096973576 /nfs/dbraw/zinc/97/35/76/1096973576.db2.gz OUEVKJMAPGOMKF-WMZOPIPTSA-N 2 1 303.494 3.097 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001171785076 1096977430 /nfs/dbraw/zinc/97/74/30/1096977430.db2.gz JPNMVZCXCAKUNG-DLBZAZTESA-N 2 1 302.437 3.147 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001171785076 1096977433 /nfs/dbraw/zinc/97/74/33/1096977433.db2.gz JPNMVZCXCAKUNG-DLBZAZTESA-N 2 1 302.437 3.147 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171912290 1097000099 /nfs/dbraw/zinc/00/00/99/1097000099.db2.gz ZIPNXCRINJBAAF-GQGLESIBSA-N 2 1 324.509 3.349 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962393 1097006518 /nfs/dbraw/zinc/00/65/18/1097006518.db2.gz CRLFWIIAPXLGGR-NZSAHSFTSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171963981 1097007044 /nfs/dbraw/zinc/00/70/44/1097007044.db2.gz JKYAIFVOZQFRBZ-OTWHNJEPSA-N 2 1 316.489 3.180 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171933220 1097011452 /nfs/dbraw/zinc/01/14/52/1097011452.db2.gz QMMMWZBXOVQSOQ-UHFFFAOYSA-N 2 1 324.509 3.303 20 0 DGADMP C[N@@H+](CC1COC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989189 1097015453 /nfs/dbraw/zinc/01/54/53/1097015453.db2.gz ZXIDXDLLJGAYLS-SFHVURJKSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](CC1COC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989189 1097015456 /nfs/dbraw/zinc/01/54/56/1097015456.db2.gz ZXIDXDLLJGAYLS-SFHVURJKSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](CC1COC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989189 1097015460 /nfs/dbraw/zinc/01/54/60/1097015460.db2.gz ZXIDXDLLJGAYLS-SFHVURJKSA-N 2 1 302.462 3.008 20 0 DGADMP Cn1ccc(-c2ccc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)cc2)n1 ZINC001277254510 1097016190 /nfs/dbraw/zinc/01/61/90/1097016190.db2.gz UKXBQUXZZWPQRN-UHFFFAOYSA-N 2 1 324.472 3.005 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970876 1097020598 /nfs/dbraw/zinc/02/05/98/1097020598.db2.gz FWNUDZSNMLILDJ-KURKYZTESA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976995 1097025023 /nfs/dbraw/zinc/02/50/23/1097025023.db2.gz PLHHGSCPCSMTIW-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976995 1097025028 /nfs/dbraw/zinc/02/50/28/1097025028.db2.gz PLHHGSCPCSMTIW-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976995 1097025033 /nfs/dbraw/zinc/02/50/33/1097025033.db2.gz PLHHGSCPCSMTIW-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171976995 1097025037 /nfs/dbraw/zinc/02/50/37/1097025037.db2.gz PLHHGSCPCSMTIW-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976446 1097026376 /nfs/dbraw/zinc/02/63/76/1097026376.db2.gz LJAFVVUDQVZCNY-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP CC1(C)C[C@@H](n2ncc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001171980271 1097026932 /nfs/dbraw/zinc/02/69/32/1097026932.db2.gz HJUUHXYXNSIXAH-SFHVURJKSA-N 2 1 324.472 3.145 20 0 DGADMP COC[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978578 1097027441 /nfs/dbraw/zinc/02/74/41/1097027441.db2.gz ZSEAXLRZCWPGNC-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978578 1097027446 /nfs/dbraw/zinc/02/74/46/1097027446.db2.gz ZSEAXLRZCWPGNC-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978578 1097027450 /nfs/dbraw/zinc/02/74/50/1097027450.db2.gz ZSEAXLRZCWPGNC-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206155953 1097039572 /nfs/dbraw/zinc/03/95/72/1097039572.db2.gz NHMWMASGEDXLNB-KBPBESRZSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206155953 1097039575 /nfs/dbraw/zinc/03/95/75/1097039575.db2.gz NHMWMASGEDXLNB-KBPBESRZSA-N 2 1 304.331 3.009 20 0 DGADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062437 1097042494 /nfs/dbraw/zinc/04/24/94/1097042494.db2.gz OALVKSUFVPGTBT-FFGOWVMKSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccc(F)cc31)C2 ZINC001172100776 1097042877 /nfs/dbraw/zinc/04/28/77/1097042877.db2.gz SUZZZRLFPKKQCE-PNBKFKSVSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccc(F)cc31)C2 ZINC001172100776 1097042881 /nfs/dbraw/zinc/04/28/81/1097042881.db2.gz SUZZZRLFPKKQCE-PNBKFKSVSA-N 2 1 304.409 3.254 20 0 DGADMP [NH3+]Cc1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062755 1097043154 /nfs/dbraw/zinc/04/31/54/1097043154.db2.gz RVGBXHHFTLHEFP-BCDXTJNWSA-N 2 1 310.445 3.100 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cncnc2)C3)cc1 ZINC001172066174 1097044333 /nfs/dbraw/zinc/04/43/33/1097044333.db2.gz UMQCITBDSXAGQL-ACDBMABISA-N 2 1 322.456 3.152 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cncnc2)C3)cc1 ZINC001172066174 1097044340 /nfs/dbraw/zinc/04/43/40/1097044340.db2.gz UMQCITBDSXAGQL-ACDBMABISA-N 2 1 322.456 3.152 20 0 DGADMP C[C@@]1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](O)C1 ZINC001172064619 1097044749 /nfs/dbraw/zinc/04/47/49/1097044749.db2.gz IJNXKONKEJMGCO-JSYLVRCQSA-N 2 1 314.473 3.075 20 0 DGADMP CC(C)[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069344 1097045983 /nfs/dbraw/zinc/04/59/83/1097045983.db2.gz TXGFFISGCXYMSS-HAGHYFMRSA-N 2 1 316.489 3.179 20 0 DGADMP CCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069624 1097046090 /nfs/dbraw/zinc/04/60/90/1097046090.db2.gz VYIXQBHONPXGPC-LDLYASANSA-N 2 1 302.462 3.198 20 0 DGADMP OC[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069421 1097046547 /nfs/dbraw/zinc/04/65/47/1097046547.db2.gz QDPARMLITJXOQE-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069421 1097046554 /nfs/dbraw/zinc/04/65/54/1097046554.db2.gz QDPARMLITJXOQE-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069421 1097046560 /nfs/dbraw/zinc/04/65/60/1097046560.db2.gz QDPARMLITJXOQE-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069421 1097046566 /nfs/dbraw/zinc/04/65/66/1097046566.db2.gz QDPARMLITJXOQE-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127692 1097047227 /nfs/dbraw/zinc/04/72/27/1097047227.db2.gz KUBRQLKBELDUDK-VVLHAWIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127692 1097047232 /nfs/dbraw/zinc/04/72/32/1097047232.db2.gz KUBRQLKBELDUDK-VVLHAWIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127692 1097047238 /nfs/dbraw/zinc/04/72/38/1097047238.db2.gz KUBRQLKBELDUDK-VVLHAWIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127692 1097047242 /nfs/dbraw/zinc/04/72/42/1097047242.db2.gz KUBRQLKBELDUDK-VVLHAWIVSA-N 2 1 322.493 3.198 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C)C2 ZINC001172127692 1097047247 /nfs/dbraw/zinc/04/72/47/1097047247.db2.gz KUBRQLKBELDUDK-VVLHAWIVSA-N 2 1 322.493 3.198 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127104 1097048265 /nfs/dbraw/zinc/04/82/65/1097048265.db2.gz GWPSVDOCZXLZDR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127104 1097048269 /nfs/dbraw/zinc/04/82/69/1097048269.db2.gz GWPSVDOCZXLZDR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127104 1097048271 /nfs/dbraw/zinc/04/82/71/1097048271.db2.gz GWPSVDOCZXLZDR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127104 1097048276 /nfs/dbraw/zinc/04/82/76/1097048276.db2.gz GWPSVDOCZXLZDR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127104 1097048280 /nfs/dbraw/zinc/04/82/80/1097048280.db2.gz GWPSVDOCZXLZDR-NXOAAHMSSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(C[NH2+]Cc3ccccc3)n1)C2 ZINC001172127685 1097048340 /nfs/dbraw/zinc/04/83/40/1097048340.db2.gz JICZTVSXHFDUDA-PMOLBWCYSA-N 2 1 324.472 3.361 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(C[NH2+]Cc3ccccc3)n1)C2 ZINC001172127685 1097048347 /nfs/dbraw/zinc/04/83/47/1097048347.db2.gz JICZTVSXHFDUDA-PMOLBWCYSA-N 2 1 324.472 3.361 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130610 1097048645 /nfs/dbraw/zinc/04/86/45/1097048645.db2.gz QMHIRUFOLKNXSD-FCGDIQPGSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130610 1097048651 /nfs/dbraw/zinc/04/86/51/1097048651.db2.gz QMHIRUFOLKNXSD-FCGDIQPGSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130610 1097048654 /nfs/dbraw/zinc/04/86/54/1097048654.db2.gz QMHIRUFOLKNXSD-FCGDIQPGSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130610 1097048660 /nfs/dbraw/zinc/04/86/60/1097048660.db2.gz QMHIRUFOLKNXSD-FCGDIQPGSA-N 2 1 306.494 3.283 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(-n3ccnc3)cc1)C2 ZINC001172131755 1097050452 /nfs/dbraw/zinc/05/04/52/1097050452.db2.gz YMEWAKLTFOPXIV-ACDBMABISA-N 2 1 324.472 3.319 20 0 DGADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131755 1097050464 /nfs/dbraw/zinc/05/04/64/1097050464.db2.gz YMEWAKLTFOPXIV-ACDBMABISA-N 2 1 324.472 3.319 20 0 DGADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131755 1097050469 /nfs/dbraw/zinc/05/04/69/1097050469.db2.gz YMEWAKLTFOPXIV-ACDBMABISA-N 2 1 324.472 3.319 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C2 ZINC001172101737 1097051678 /nfs/dbraw/zinc/05/16/78/1097051678.db2.gz AKQAGFJWVKQORH-XYYAHUGASA-N 2 1 314.260 3.493 20 0 DGADMP CCOc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102876 1097052865 /nfs/dbraw/zinc/05/28/65/1097052865.db2.gz PYJYSISYUREIHD-NNZMDNLPSA-N 2 1 302.462 3.233 20 0 DGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172108739 1097053933 /nfs/dbraw/zinc/05/39/33/1097053933.db2.gz DOPYVCZLQAAIOQ-HWHMVJPJSA-N 2 1 307.526 3.230 20 0 DGADMP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172108739 1097053938 /nfs/dbraw/zinc/05/39/38/1097053938.db2.gz DOPYVCZLQAAIOQ-HWHMVJPJSA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172108739 1097053944 /nfs/dbraw/zinc/05/39/44/1097053944.db2.gz DOPYVCZLQAAIOQ-HWHMVJPJSA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108739 1097053948 /nfs/dbraw/zinc/05/39/48/1097053948.db2.gz DOPYVCZLQAAIOQ-HWHMVJPJSA-N 3 1 307.526 3.230 20 0 DGADMP CC(C)C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108739 1097053954 /nfs/dbraw/zinc/05/39/54/1097053954.db2.gz DOPYVCZLQAAIOQ-HWHMVJPJSA-N 3 1 307.526 3.230 20 0 DGADMP COc1c(F)ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172105802 1097054082 /nfs/dbraw/zinc/05/40/82/1097054082.db2.gz KMUFDHLPSKOSAZ-BTTYYORXSA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172105802 1097054086 /nfs/dbraw/zinc/05/40/86/1097054086.db2.gz KMUFDHLPSKOSAZ-BTTYYORXSA-N 2 1 310.388 3.078 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1-c1ccc(C[NH3+])cc1)C2 ZINC001172108646 1097054368 /nfs/dbraw/zinc/05/43/68/1097054368.db2.gz CPZXXOXXWKGZCO-BCDXTJNWSA-N 2 1 310.445 3.197 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105475 1097054672 /nfs/dbraw/zinc/05/46/72/1097054672.db2.gz HZOSHVGAZNCBED-MHORFTMASA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105475 1097054675 /nfs/dbraw/zinc/05/46/75/1097054675.db2.gz HZOSHVGAZNCBED-MHORFTMASA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c1cccc(Cl)c1)C2 ZINC001172110437 1097057146 /nfs/dbraw/zinc/05/71/46/1097057146.db2.gz MUUWYMWJKQNSQO-OWLYRPNTSA-N 2 1 322.880 3.021 20 0 DGADMP COc1cccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172109971 1097057813 /nfs/dbraw/zinc/05/78/13/1097057813.db2.gz HMTGKUFJUATFBU-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP COc1cccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172109971 1097057820 /nfs/dbraw/zinc/05/78/20/1097057820.db2.gz HMTGKUFJUATFBU-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP COc1cccc(OC)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113424 1097059331 /nfs/dbraw/zinc/05/93/31/1097059331.db2.gz CWRFZYOKVFHCER-YHUYYLMFSA-N 2 1 318.461 3.370 20 0 DGADMP COc1cccc(OC)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113424 1097059338 /nfs/dbraw/zinc/05/93/38/1097059338.db2.gz CWRFZYOKVFHCER-YHUYYLMFSA-N 2 1 318.461 3.370 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COc3ccc(Cl)cc31)C2 ZINC001172113353 1097059513 /nfs/dbraw/zinc/05/95/13/1097059513.db2.gz GNZLSCVKLAOPAV-HLPPOEQASA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COc3ccc(Cl)cc31)C2 ZINC001172113353 1097059519 /nfs/dbraw/zinc/05/95/19/1097059519.db2.gz GNZLSCVKLAOPAV-HLPPOEQASA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172113724 1097062557 /nfs/dbraw/zinc/06/25/57/1097062557.db2.gz JLXVDUQPIYTYMX-NNZMDNLPSA-N 2 1 307.526 3.102 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121143 1097062797 /nfs/dbraw/zinc/06/27/97/1097062797.db2.gz IDRQLJXTECNJTM-FAJBIJEISA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121143 1097062802 /nfs/dbraw/zinc/06/28/02/1097062802.db2.gz IDRQLJXTECNJTM-FAJBIJEISA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3ccc(F)cc3)C1)C2 ZINC001172121143 1097062810 /nfs/dbraw/zinc/06/28/10/1097062810.db2.gz IDRQLJXTECNJTM-FAJBIJEISA-N 2 1 318.436 3.294 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C2 ZINC001172122075 1097063443 /nfs/dbraw/zinc/06/34/43/1097063443.db2.gz WOHXYCXPCXWDJQ-PEBLQZBPSA-N 2 1 308.363 3.082 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C2 ZINC001172122075 1097063448 /nfs/dbraw/zinc/06/34/48/1097063448.db2.gz WOHXYCXPCXWDJQ-PEBLQZBPSA-N 2 1 308.363 3.082 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C2 ZINC001172122075 1097063454 /nfs/dbraw/zinc/06/34/54/1097063454.db2.gz WOHXYCXPCXWDJQ-PEBLQZBPSA-N 2 1 308.363 3.082 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121014 1097063600 /nfs/dbraw/zinc/06/36/00/1097063600.db2.gz NYINNHBZZLLUET-ZMMAXQRCSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121014 1097063604 /nfs/dbraw/zinc/06/36/04/1097063604.db2.gz NYINNHBZZLLUET-ZMMAXQRCSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121014 1097063609 /nfs/dbraw/zinc/06/36/09/1097063609.db2.gz NYINNHBZZLLUET-ZMMAXQRCSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121014 1097063613 /nfs/dbraw/zinc/06/36/13/1097063613.db2.gz NYINNHBZZLLUET-ZMMAXQRCSA-N 2 1 322.493 3.057 20 0 DGADMP CCCCCC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172120089 1097064355 /nfs/dbraw/zinc/06/43/55/1097064355.db2.gz CGFFHWZBQHDWEW-BWTSREIZSA-N 2 1 307.526 3.200 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123517 1097066351 /nfs/dbraw/zinc/06/63/51/1097066351.db2.gz DKSBYBGEFDIIPF-PMOLBWCYSA-N 2 1 315.505 3.066 20 0 DGADMP CN(CC[NH+](C)Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123517 1097066359 /nfs/dbraw/zinc/06/63/59/1097066359.db2.gz DKSBYBGEFDIIPF-PMOLBWCYSA-N 2 1 315.505 3.066 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc(OC)c1 ZINC001172122882 1097066911 /nfs/dbraw/zinc/06/69/11/1097066911.db2.gz UQHPCTCETYWRLC-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC001172122882 1097066917 /nfs/dbraw/zinc/06/69/17/1097066917.db2.gz UQHPCTCETYWRLC-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC001172122882 1097066923 /nfs/dbraw/zinc/06/69/23/1097066923.db2.gz UQHPCTCETYWRLC-FVQHAEBGSA-N 2 1 318.461 3.151 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234609 1097084320 /nfs/dbraw/zinc/08/43/20/1097084320.db2.gz HINQGAHEAXZSIX-UVADEXNPSA-N 2 1 304.478 3.377 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccc(C)cc2)CC1 ZINC001172247364 1097091068 /nfs/dbraw/zinc/09/10/68/1097091068.db2.gz MXNPBZFCUKSGKC-UHFFFAOYSA-N 2 1 304.478 3.321 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172255495 1097092406 /nfs/dbraw/zinc/09/24/06/1097092406.db2.gz STLVQBIUOKFBQV-LJQANCHMSA-N 2 1 316.489 3.367 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172255495 1097092412 /nfs/dbraw/zinc/09/24/12/1097092412.db2.gz STLVQBIUOKFBQV-LJQANCHMSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC001172381966 1097111402 /nfs/dbraw/zinc/11/14/02/1097111402.db2.gz IYFQSKOMQARNOA-SUNYJGFJSA-N 2 1 316.493 3.477 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172409680 1097131631 /nfs/dbraw/zinc/13/16/31/1097131631.db2.gz BCTDVPUWXVIROU-SCTDSRPQSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172409680 1097131634 /nfs/dbraw/zinc/13/16/34/1097131634.db2.gz BCTDVPUWXVIROU-SCTDSRPQSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001172410980 1097132751 /nfs/dbraw/zinc/13/27/51/1097132751.db2.gz CKQLLBITVDCXQD-AWEZNQCLSA-N 2 1 310.869 3.405 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172383622 1097141015 /nfs/dbraw/zinc/14/10/15/1097141015.db2.gz BEFKADWMHWEUSP-IBGZPJMESA-N 2 1 304.478 3.433 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172389961 1097142885 /nfs/dbraw/zinc/14/28/85/1097142885.db2.gz REMBVPPHXUCLMP-FQEVSTJZSA-N 2 1 317.521 3.348 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172400922 1097146095 /nfs/dbraw/zinc/14/60/95/1097146095.db2.gz DOWJMCQSQXYJDG-SJORKVTESA-N 2 1 324.509 3.161 20 0 DGADMP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)CCOC(C)C)CC2)cc1 ZINC001172439466 1097154200 /nfs/dbraw/zinc/15/42/00/1097154200.db2.gz DEIYHTSNTZVLOD-MRXNPFEDSA-N 2 1 320.477 3.149 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172552639 1097178294 /nfs/dbraw/zinc/17/82/94/1097178294.db2.gz APIARJRBHBZPQM-MKXGPGLRSA-N 2 1 314.473 3.293 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172592502 1097189581 /nfs/dbraw/zinc/18/95/81/1097189581.db2.gz OAYZYXKAMCXRMS-IAGOWNOFSA-N 2 1 312.498 3.210 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172606688 1097193056 /nfs/dbraw/zinc/19/30/56/1097193056.db2.gz VAEJMUSYROCKMC-JOCBIADPSA-N 2 1 324.509 3.479 20 0 DGADMP Clc1ccc2c(c1)C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001172722848 1097216931 /nfs/dbraw/zinc/21/69/31/1097216931.db2.gz CABVSCGJKKFNBZ-MRXNPFEDSA-N 2 1 301.821 3.343 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172756216 1097230676 /nfs/dbraw/zinc/23/06/76/1097230676.db2.gz MESOKZNOVFNDFD-BBWFWOEESA-N 2 1 312.498 3.064 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872993 1097271488 /nfs/dbraw/zinc/27/14/88/1097271488.db2.gz QORFAHUTOFPVHM-YUELXQCFSA-N 2 1 310.844 3.294 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872993 1097271490 /nfs/dbraw/zinc/27/14/90/1097271490.db2.gz QORFAHUTOFPVHM-YUELXQCFSA-N 2 1 310.844 3.294 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872993 1097271493 /nfs/dbraw/zinc/27/14/93/1097271493.db2.gz QORFAHUTOFPVHM-YUELXQCFSA-N 2 1 310.844 3.294 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172872993 1097271497 /nfs/dbraw/zinc/27/14/97/1097271497.db2.gz QORFAHUTOFPVHM-YUELXQCFSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172882128 1097275567 /nfs/dbraw/zinc/27/55/67/1097275567.db2.gz MXVWLAIJIVPJGK-MELADBBJSA-N 2 1 310.894 3.314 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172882128 1097275571 /nfs/dbraw/zinc/27/55/71/1097275571.db2.gz MXVWLAIJIVPJGK-MELADBBJSA-N 2 1 310.894 3.314 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172882128 1097275576 /nfs/dbraw/zinc/27/55/76/1097275576.db2.gz MXVWLAIJIVPJGK-MELADBBJSA-N 2 1 310.894 3.314 20 0 DGADMP COc1[nH+]ccc(N)c1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212689110 1097276444 /nfs/dbraw/zinc/27/64/44/1097276444.db2.gz MQYOIZYLCBHDEQ-UHFFFAOYSA-N 2 1 312.417 3.225 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928600 1097284259 /nfs/dbraw/zinc/28/42/59/1097284259.db2.gz LYNOQQSUBBQAQX-MKXGPGLRSA-N 2 1 317.477 3.111 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172942098 1097287796 /nfs/dbraw/zinc/28/77/96/1097287796.db2.gz IFZRZSLASIZRAX-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172942098 1097287801 /nfs/dbraw/zinc/28/78/01/1097287801.db2.gz IFZRZSLASIZRAX-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172942098 1097287806 /nfs/dbraw/zinc/28/78/06/1097287806.db2.gz IFZRZSLASIZRAX-XUVXKRRUSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206185552 1097307739 /nfs/dbraw/zinc/30/77/39/1097307739.db2.gz OGMDFLNLLZQYIC-ZIAGYGMSSA-N 2 1 304.331 3.275 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173074166 1097323007 /nfs/dbraw/zinc/32/30/07/1097323007.db2.gz CWRFADOUYGSUJN-VXGBXAGGSA-N 2 1 304.356 3.043 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001173082129 1097326585 /nfs/dbraw/zinc/32/65/85/1097326585.db2.gz JGGJOIWWFAQCKP-GXTWGEPZSA-N 2 1 316.367 3.058 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC([NH+](CC)CC)CC2)C1 ZINC001173106612 1097331275 /nfs/dbraw/zinc/33/12/75/1097331275.db2.gz CTEKZTZZVKAKKL-HFCFLWKCSA-N 3 1 309.542 3.492 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC([NH+](CC)CC)CC2)C1 ZINC001173106612 1097331281 /nfs/dbraw/zinc/33/12/81/1097331281.db2.gz CTEKZTZZVKAKKL-HFCFLWKCSA-N 3 1 309.542 3.492 20 0 DGADMP CC[NH+](CC)C1CCC(N2CCC([NH+](CC)CC)CC2)CC1 ZINC001173111741 1097332891 /nfs/dbraw/zinc/33/28/91/1097332891.db2.gz KQJURGHCMYKRRI-UHFFFAOYSA-N 2 1 309.542 3.446 20 0 DGADMP C[NH+](C)CCc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001229658307 1097360265 /nfs/dbraw/zinc/36/02/65/1097360265.db2.gz UQDAYIXAZUQWIG-NRFANRHFSA-N 2 1 324.468 3.444 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170555 1097364903 /nfs/dbraw/zinc/36/49/03/1097364903.db2.gz NTITXENNBBBJEE-WDSOQIARSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170555 1097364907 /nfs/dbraw/zinc/36/49/07/1097364907.db2.gz NTITXENNBBBJEE-WDSOQIARSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+](C)Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001229699953 1097367998 /nfs/dbraw/zinc/36/79/98/1097367998.db2.gz SRRMYRCGJZADKM-LJQANCHMSA-N 2 1 310.441 3.402 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCC(Oc4ccccc4)CC3)C2)C1 ZINC001173205070 1097379239 /nfs/dbraw/zinc/37/92/39/1097379239.db2.gz COZCGECELZBQCE-UUKMXZOPSA-N 2 1 314.473 3.404 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC(Oc4ccccc4)CC3)C2)C1 ZINC001173205070 1097379242 /nfs/dbraw/zinc/37/92/42/1097379242.db2.gz COZCGECELZBQCE-UUKMXZOPSA-N 2 1 314.473 3.404 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC(Oc4ccccc4)CC3)C2)C1 ZINC001173205070 1097379250 /nfs/dbraw/zinc/37/92/50/1097379250.db2.gz COZCGECELZBQCE-UUKMXZOPSA-N 2 1 314.473 3.404 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271600 1097390672 /nfs/dbraw/zinc/39/06/72/1097390672.db2.gz HISDNBPOLFHBCS-NBYUQASBSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271600 1097390677 /nfs/dbraw/zinc/39/06/77/1097390677.db2.gz HISDNBPOLFHBCS-NBYUQASBSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC001173367720 1097434143 /nfs/dbraw/zinc/43/41/43/1097434143.db2.gz JEVMMCZKRWUPRI-NRFANRHFSA-N 2 1 323.484 3.052 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001230284771 1097468730 /nfs/dbraw/zinc/46/87/30/1097468730.db2.gz UNDPOUWSOIGHQT-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP CCOC(=O)[C@H]1CC12CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC2 ZINC001173600918 1097468958 /nfs/dbraw/zinc/46/89/58/1097468958.db2.gz HAFRXGKQQHNGEB-TVRKMHQQSA-N 2 1 324.509 3.207 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629804 1097477542 /nfs/dbraw/zinc/47/75/42/1097477542.db2.gz BWCSJMBHOAWTIL-QBPKDAKJSA-N 2 1 310.482 3.089 20 0 DGADMP C[NH+](C)CC[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1 ZINC001230516338 1097501344 /nfs/dbraw/zinc/50/13/44/1097501344.db2.gz PLXSGHUULCWKIO-QGZVFWFLSA-N 2 1 310.401 3.217 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173736269 1097503623 /nfs/dbraw/zinc/50/36/23/1097503623.db2.gz XHGDSRQXCFOESM-INIZCTEOSA-N 2 1 320.477 3.068 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012172 1097916185 /nfs/dbraw/zinc/91/61/85/1097916185.db2.gz UTUCQJXMMVVZTH-GOSISDBHSA-N 2 1 315.417 3.118 20 0 DGADMP C[N@H+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)[C@H](c2ccccc2)C1 ZINC001232011160 1097916651 /nfs/dbraw/zinc/91/66/51/1097916651.db2.gz HTMVSVXVKBWWRR-IBGZPJMESA-N 2 1 306.413 3.052 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232014626 1097917523 /nfs/dbraw/zinc/91/75/23/1097917523.db2.gz SZNMMUQLMGLSHZ-QGZVFWFLSA-N 2 1 308.385 3.001 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc2ncccc2[nH]1 ZINC001232066229 1097928371 /nfs/dbraw/zinc/92/83/71/1097928371.db2.gz QUEJNCUTDNKBGN-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2ncccc2[nH]1 ZINC001232066229 1097928376 /nfs/dbraw/zinc/92/83/76/1097928376.db2.gz QUEJNCUTDNKBGN-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2ncccc2[nH]1 ZINC001232066229 1097928383 /nfs/dbraw/zinc/92/83/83/1097928383.db2.gz QUEJNCUTDNKBGN-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2ncccc2[nH]1 ZINC001232066229 1097928386 /nfs/dbraw/zinc/92/83/86/1097928386.db2.gz QUEJNCUTDNKBGN-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2ncccc2[nH]1 ZINC001232066229 1097928393 /nfs/dbraw/zinc/92/83/93/1097928393.db2.gz QUEJNCUTDNKBGN-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC001232147192 1097949558 /nfs/dbraw/zinc/94/95/58/1097949558.db2.gz LMOGPOGPLSODSR-KRWDZBQOSA-N 2 1 313.420 3.272 20 0 DGADMP Fc1cccc2c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccnc12 ZINC001232207388 1097965317 /nfs/dbraw/zinc/96/53/17/1097965317.db2.gz IHLAQVMFEGYYAC-UHFFFAOYSA-N 2 1 322.387 3.091 20 0 DGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C)c1Br ZINC001232519639 1098067137 /nfs/dbraw/zinc/06/71/37/1098067137.db2.gz USPWLKGJFFOKDW-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C)c1Br ZINC001232519639 1098067141 /nfs/dbraw/zinc/06/71/41/1098067141.db2.gz USPWLKGJFFOKDW-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP Cc1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001232485629 1098056134 /nfs/dbraw/zinc/05/61/34/1098056134.db2.gz DZZMEFOIMYQTKE-HNNXBMFYSA-N 2 1 300.377 3.491 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3ccoc3cn2)CC1 ZINC001232552683 1098074633 /nfs/dbraw/zinc/07/46/33/1098074633.db2.gz YRNSXNLGRNWCSY-UHFFFAOYSA-N 2 1 301.434 3.380 20 0 DGADMP Nc1cc[nH+]c2c1C[N@H+](CCc1ccc3ccccc3c1)CC2 ZINC001175522423 1098081722 /nfs/dbraw/zinc/08/17/22/1098081722.db2.gz GSLBDDRGEAAILE-UHFFFAOYSA-N 2 1 303.409 3.418 20 0 DGADMP Nc1cc[nH+]c2c1C[N@@H+](CCc1ccc3ccccc3c1)CC2 ZINC001175522423 1098081726 /nfs/dbraw/zinc/08/17/26/1098081726.db2.gz GSLBDDRGEAAILE-UHFFFAOYSA-N 2 1 303.409 3.418 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc4ncsc43)C[C@H]2C1 ZINC001232735852 1098123406 /nfs/dbraw/zinc/12/34/06/1098123406.db2.gz AIWOXWAOGOPKLC-HUUCEWRRSA-N 2 1 301.459 3.070 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc4ncsc43)C[C@@H]2C1 ZINC001232735850 1098123789 /nfs/dbraw/zinc/12/37/89/1098123789.db2.gz AIWOXWAOGOPKLC-GJZGRUSLSA-N 2 1 301.459 3.070 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)c(F)c1)C1CC[NH2+]CC1 ZINC000721924542 1098184319 /nfs/dbraw/zinc/18/43/19/1098184319.db2.gz LJDSOBQEBVLXSA-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP CC[N@H+](Cc1ccc(Br)c(F)c1)C1CC[NH2+]CC1 ZINC000721924542 1098184315 /nfs/dbraw/zinc/18/43/15/1098184315.db2.gz LJDSOBQEBVLXSA-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP COc1cc(Cl)cc(F)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001233004525 1098200177 /nfs/dbraw/zinc/20/01/77/1098200177.db2.gz SGHOMHFUMJLVBI-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(c1c[nH+]cn1C)C2 ZINC001277765761 1098232349 /nfs/dbraw/zinc/23/23/49/1098232349.db2.gz QHSAQXQIIXBMJB-ZACQAIPSSA-N 2 1 304.482 3.147 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176022547 1098234796 /nfs/dbraw/zinc/23/47/96/1098234796.db2.gz BPCZVIUQEGDCDW-INIZCTEOSA-N 2 1 313.530 3.029 20 0 DGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025206 1098236098 /nfs/dbraw/zinc/23/60/98/1098236098.db2.gz ZHBCOPKXQGLQKC-MRXNPFEDSA-N 2 1 313.530 3.029 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(C)c(C)c2)CC1 ZINC001233160330 1098238935 /nfs/dbraw/zinc/23/89/35/1098238935.db2.gz SBBYHRZNBHJDBZ-UHFFFAOYSA-N 2 1 310.445 3.141 20 0 DGADMP CCN1CC[NH+](Cc2ccc(Nc3cc(C)[nH+]c(C)c3)cc2)CC1 ZINC001176055342 1098252474 /nfs/dbraw/zinc/25/24/74/1098252474.db2.gz FLWZQZFEUMUVRQ-UHFFFAOYSA-N 2 1 324.472 3.001 20 0 DGADMP CN1CCC([N@@H+](Cc2cnn3ccccc23)C2CCCC2)CC1 ZINC001233240223 1098261596 /nfs/dbraw/zinc/26/15/96/1098261596.db2.gz OBPZQOYUUMLZJD-UHFFFAOYSA-N 2 1 312.461 3.173 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277807436 1098430428 /nfs/dbraw/zinc/43/04/28/1098430428.db2.gz MSJRDCXNQKWVDF-INIZCTEOSA-N 2 1 317.477 3.264 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CC(=O)OC)C[C@H]2CC1 ZINC001277820834 1098466740 /nfs/dbraw/zinc/46/67/40/1098466740.db2.gz HFAPFMQLEZRJQC-OKZBNKHCSA-N 2 1 324.509 3.020 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CC(=O)OC)C[C@H]2CC1 ZINC001277820834 1098466743 /nfs/dbraw/zinc/46/67/43/1098466743.db2.gz HFAPFMQLEZRJQC-OKZBNKHCSA-N 2 1 324.509 3.020 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](CC(=O)OC)C[C@H]2CC1 ZINC001277820834 1098466746 /nfs/dbraw/zinc/46/67/46/1098466746.db2.gz HFAPFMQLEZRJQC-OKZBNKHCSA-N 2 1 324.509 3.020 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn2ccccc12 ZINC001177299061 1098506484 /nfs/dbraw/zinc/50/64/84/1098506484.db2.gz JQYPFGXIZRJFIQ-MRXNPFEDSA-N 2 1 300.450 3.079 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC(C)(C)C1 ZINC001177736829 1098595070 /nfs/dbraw/zinc/59/50/70/1098595070.db2.gz BDHUEXUAUSLLHG-WMZOPIPTSA-N 2 1 309.542 3.064 20 0 DGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001234971076 1098730004 /nfs/dbraw/zinc/73/00/04/1098730004.db2.gz NOPOBJZOZBRLLN-XUVXKRRUSA-N 2 1 318.505 3.380 20 0 DGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971536 1098730942 /nfs/dbraw/zinc/73/09/42/1098730942.db2.gz PZRAFXPJFBMMFQ-DNVCBOLYSA-N 2 1 322.408 3.006 20 0 DGADMP Fc1ccc(Oc2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234979748 1098734414 /nfs/dbraw/zinc/73/44/14/1098734414.db2.gz ROSYCVSOYWAYOX-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP Fc1ccc(Oc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234979748 1098734426 /nfs/dbraw/zinc/73/44/26/1098734426.db2.gz ROSYCVSOYWAYOX-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991348 1098737207 /nfs/dbraw/zinc/73/72/07/1098737207.db2.gz FFYPRLVCCPMAFV-GOSISDBHSA-N 2 1 313.470 3.386 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991348 1098737218 /nfs/dbraw/zinc/73/72/18/1098737218.db2.gz FFYPRLVCCPMAFV-GOSISDBHSA-N 2 1 313.470 3.386 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)ncn3C)C1 ZINC001178248895 1098753816 /nfs/dbraw/zinc/75/38/16/1098753816.db2.gz GSKMMFOWSQWHGQ-KRWDZBQOSA-N 2 1 314.477 3.031 20 0 DGADMP Fc1ccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)c(F)c1 ZINC001235025949 1098757019 /nfs/dbraw/zinc/75/70/19/1098757019.db2.gz HEJMUXQJLCPDOS-UHFFFAOYSA-N 2 1 314.379 3.427 20 0 DGADMP Fc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)c(F)c1 ZINC001235025949 1098757023 /nfs/dbraw/zinc/75/70/23/1098757023.db2.gz HEJMUXQJLCPDOS-UHFFFAOYSA-N 2 1 314.379 3.427 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235078394 1098787180 /nfs/dbraw/zinc/78/71/80/1098787180.db2.gz UFROWUVDNPDBJX-RCCFBDPRSA-N 2 1 306.494 3.090 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235078394 1098787192 /nfs/dbraw/zinc/78/71/92/1098787192.db2.gz UFROWUVDNPDBJX-RCCFBDPRSA-N 2 1 306.494 3.090 20 0 DGADMP S=C1C=COC1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235090901 1098793476 /nfs/dbraw/zinc/79/34/76/1098793476.db2.gz MLFOYQWSAIVJGB-UHFFFAOYSA-N 2 1 314.454 3.205 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091537 1098793952 /nfs/dbraw/zinc/79/39/52/1098793952.db2.gz FFBRKQWONQNZGP-UHFFFAOYSA-N 2 1 306.425 3.190 20 0 DGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001235090696 1098794251 /nfs/dbraw/zinc/79/42/51/1098794251.db2.gz SKMDCAGGBDLYAN-KRWDZBQOSA-N 2 1 308.416 3.460 20 0 DGADMP Brc1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001235094027 1098796230 /nfs/dbraw/zinc/79/62/30/1098796230.db2.gz WOSAAPFCMIXTKY-UHFFFAOYSA-N 2 1 323.278 3.067 20 0 DGADMP Fc1ccc(Cl)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1F ZINC001235103102 1098802291 /nfs/dbraw/zinc/80/22/91/1098802291.db2.gz DLFGQSGRDHBUNT-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)cc2)cn1 ZINC001235151822 1098837977 /nfs/dbraw/zinc/83/79/77/1098837977.db2.gz BSJXMQHYDQVKQN-FQEVSTJZSA-N 2 1 324.472 3.226 20 0 DGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151596 1098838101 /nfs/dbraw/zinc/83/81/01/1098838101.db2.gz IFHWSRXXADCGEU-LJQANCHMSA-N 3 1 307.526 3.153 20 0 DGADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001178462423 1098838693 /nfs/dbraw/zinc/83/86/93/1098838693.db2.gz FMROBHCNCQMHPM-HNNXBMFYSA-N 2 1 306.450 3.058 20 0 DGADMP C[C@H](CC[NH2+]Cc1cn(C)nc1C(C)(C)C)[NH+]1CCCCC1 ZINC001178462407 1098838945 /nfs/dbraw/zinc/83/89/45/1098838945.db2.gz DYMXXRVITRDCMN-OAHLLOKOSA-N 2 1 306.498 3.072 20 0 DGADMP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235152865 1098840531 /nfs/dbraw/zinc/84/05/31/1098840531.db2.gz CEAFHLNNFXHFFF-SFHVURJKSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235152865 1098840538 /nfs/dbraw/zinc/84/05/38/1098840538.db2.gz CEAFHLNNFXHFFF-SFHVURJKSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235152865 1098840547 /nfs/dbraw/zinc/84/05/47/1098840547.db2.gz CEAFHLNNFXHFFF-SFHVURJKSA-N 2 1 312.461 3.225 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155761 1098841637 /nfs/dbraw/zinc/84/16/37/1098841637.db2.gz FDUOLODALFKVPO-SFHVURJKSA-N 2 1 302.462 3.358 20 0 DGADMP CCCOc1ncccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158534 1098843857 /nfs/dbraw/zinc/84/38/57/1098843857.db2.gz KVAZLRZNDIRUQB-GOSISDBHSA-N 2 1 317.477 3.225 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(F)c1F ZINC001235157365 1098844464 /nfs/dbraw/zinc/84/44/64/1098844464.db2.gz IQQRQVHDMCXASN-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP COc1c(F)ccc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158629 1098844912 /nfs/dbraw/zinc/84/49/12/1098844912.db2.gz LSBZLBXGMGHPEF-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1ccc2n[nH]c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235160877 1098845989 /nfs/dbraw/zinc/84/59/89/1098845989.db2.gz RNOHLUNVLWOKBV-SFHVURJKSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2[nH]nc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235160877 1098845993 /nfs/dbraw/zinc/84/59/93/1098845993.db2.gz RNOHLUNVLWOKBV-SFHVURJKSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2[nH]nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235160877 1098846004 /nfs/dbraw/zinc/84/60/04/1098846004.db2.gz RNOHLUNVLWOKBV-SFHVURJKSA-N 2 1 316.424 3.056 20 0 DGADMP Oc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235161522 1098847235 /nfs/dbraw/zinc/84/72/35/1098847235.db2.gz SQLWQMDUYFKVPN-HNNXBMFYSA-N 2 1 310.388 3.025 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187532 1098865503 /nfs/dbraw/zinc/86/55/03/1098865503.db2.gz BCQMPNBTGHOOES-VDZJLULYSA-N 2 1 300.490 3.456 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187532 1098865507 /nfs/dbraw/zinc/86/55/07/1098865507.db2.gz BCQMPNBTGHOOES-VDZJLULYSA-N 2 1 300.490 3.456 20 0 DGADMP FC1(F)Oc2ccc(C[N@@H+]3CCCCC34CC[NH2+]CC4)cc2O1 ZINC001235188973 1098866001 /nfs/dbraw/zinc/86/60/01/1098866001.db2.gz CVMVLQOVVFJTOY-UHFFFAOYSA-N 2 1 324.371 3.116 20 0 DGADMP FC1(F)Oc2ccc(C[N@H+]3CCCCC34CC[NH2+]CC4)cc2O1 ZINC001235188973 1098866013 /nfs/dbraw/zinc/86/60/13/1098866013.db2.gz CVMVLQOVVFJTOY-UHFFFAOYSA-N 2 1 324.371 3.116 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001235194601 1098869352 /nfs/dbraw/zinc/86/93/52/1098869352.db2.gz ZGTJKUSNKXWRKO-IPMKNSEASA-N 2 1 320.521 3.195 20 0 DGADMP COc1cc(Cl)ncc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235231403 1098903222 /nfs/dbraw/zinc/90/32/22/1098903222.db2.gz YGHSEZJUNBQOSQ-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP C(C[NH2+]C1CCCCC1)CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235231271 1098904217 /nfs/dbraw/zinc/90/42/17/1098904217.db2.gz DUNRFIRDPUUAAK-IBGZPJMESA-N 2 1 307.526 3.153 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235243893 1098915453 /nfs/dbraw/zinc/91/54/53/1098915453.db2.gz ZLOBBMTVQQUSQZ-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3nc(Cl)ccc3c1)C2 ZINC001235244461 1098918249 /nfs/dbraw/zinc/91/82/49/1098918249.db2.gz CNBDTGIDSAQCKK-RHSMWYFYSA-N 2 1 301.821 3.201 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3nc(Cl)ccc3c1)C2 ZINC001235244461 1098918260 /nfs/dbraw/zinc/91/82/60/1098918260.db2.gz CNBDTGIDSAQCKK-RHSMWYFYSA-N 2 1 301.821 3.201 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc1-2 ZINC001235265685 1098938075 /nfs/dbraw/zinc/93/80/75/1098938075.db2.gz DBDNQJYICOWIMM-DYESRHJHSA-N 2 1 304.437 3.442 20 0 DGADMP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)ccc21 ZINC001235283901 1098941381 /nfs/dbraw/zinc/94/13/81/1098941381.db2.gz IRDVPEPIZXARSN-XEMDLRDOSA-N 2 1 305.425 3.203 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341211 1098965640 /nfs/dbraw/zinc/96/56/40/1098965640.db2.gz PHVANOZBUXIUTG-AWEZNQCLSA-N 2 1 323.278 3.053 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235348486 1098971351 /nfs/dbraw/zinc/97/13/51/1098971351.db2.gz FXRATLABACRQME-NHCUHLMSSA-N 2 1 324.443 3.447 20 0 DGADMP Cc1c(O)cccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235355288 1098974609 /nfs/dbraw/zinc/97/46/09/1098974609.db2.gz MUNIERNJWDSODH-TZIWHRDSSA-N 2 1 322.452 3.280 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c2ccccc12 ZINC001235369658 1098984693 /nfs/dbraw/zinc/98/46/93/1098984693.db2.gz SVPQIXOCPWSFIQ-WAOWUJCRSA-N 2 1 322.452 3.101 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(C)CCC1 ZINC001178971652 1098985121 /nfs/dbraw/zinc/98/51/21/1098985121.db2.gz KIQVCZOFTMNFEC-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(C)CCC1 ZINC001178971652 1098985133 /nfs/dbraw/zinc/98/51/33/1098985133.db2.gz KIQVCZOFTMNFEC-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)(CC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F)c1ccccc1 ZINC001235399329 1098995642 /nfs/dbraw/zinc/99/56/42/1098995642.db2.gz ALVZXZLNNCVBIN-IEBWSBKVSA-N 2 1 304.453 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1Cl ZINC001235402252 1098999202 /nfs/dbraw/zinc/99/92/02/1098999202.db2.gz WKOOZQXQPCDNIH-RDJZCZTQSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1Cl ZINC001235402252 1098999214 /nfs/dbraw/zinc/99/92/14/1098999214.db2.gz WKOOZQXQPCDNIH-RDJZCZTQSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1OC(C)C ZINC001235403756 1099002435 /nfs/dbraw/zinc/00/24/35/1099002435.db2.gz LJRIDHYUSIQGTQ-IEBWSBKVSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1OC(C)C ZINC001235403756 1099002448 /nfs/dbraw/zinc/00/24/48/1099002448.db2.gz LJRIDHYUSIQGTQ-IEBWSBKVSA-N 2 1 320.452 3.306 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)cc21 ZINC001235407725 1099004994 /nfs/dbraw/zinc/00/49/94/1099004994.db2.gz TWGRYWUYETYUEZ-RBUKOAKNSA-N 2 1 315.436 3.185 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c2occc21 ZINC001235410709 1099006260 /nfs/dbraw/zinc/00/62/60/1099006260.db2.gz YFRMXMLCSQEECU-WBVHZDCISA-N 2 1 306.356 3.095 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c2occc21 ZINC001235410709 1099006270 /nfs/dbraw/zinc/00/62/70/1099006270.db2.gz YFRMXMLCSQEECU-WBVHZDCISA-N 2 1 306.356 3.095 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235421036 1099013611 /nfs/dbraw/zinc/01/36/11/1099013611.db2.gz ARXFNATUIHAKRX-IRXDYDNUSA-N 2 1 317.477 3.080 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235420824 1099014100 /nfs/dbraw/zinc/01/41/00/1099014100.db2.gz BHTPFPGARQUBSS-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235422264 1099014499 /nfs/dbraw/zinc/01/44/99/1099014499.db2.gz AQMCJNOVXAZBEW-HOTGVXAUSA-N 2 1 308.416 3.219 20 0 DGADMP CC(C)Oc1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235421032 1099014583 /nfs/dbraw/zinc/01/45/83/1099014583.db2.gz ARXFNATUIHAKRX-DLBZAZTESA-N 2 1 317.477 3.080 20 0 DGADMP Cc1cccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235423435 1099016814 /nfs/dbraw/zinc/01/68/14/1099016814.db2.gz GHYDXSLQUPVKTP-HOTGVXAUSA-N 2 1 312.461 3.083 20 0 DGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235427402 1099018720 /nfs/dbraw/zinc/01/87/20/1099018720.db2.gz RSNUOUCMTIHXID-CVEARBPZSA-N 2 1 308.416 3.219 20 0 DGADMP Cn1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235430406 1099024515 /nfs/dbraw/zinc/02/45/15/1099024515.db2.gz SPUYEXCHAQAJQL-OALUTQOASA-N 2 1 311.473 3.390 20 0 DGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430163 1099026201 /nfs/dbraw/zinc/02/62/01/1099026201.db2.gz GCNFUAAULWWYET-CVEARBPZSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430163 1099026211 /nfs/dbraw/zinc/02/62/11/1099026211.db2.gz GCNFUAAULWWYET-CVEARBPZSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430163 1099026220 /nfs/dbraw/zinc/02/62/20/1099026220.db2.gz GCNFUAAULWWYET-CVEARBPZSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430166 1099026368 /nfs/dbraw/zinc/02/63/68/1099026368.db2.gz GCNFUAAULWWYET-JKSUJKDBSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430166 1099026381 /nfs/dbraw/zinc/02/63/81/1099026381.db2.gz GCNFUAAULWWYET-JKSUJKDBSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430166 1099026394 /nfs/dbraw/zinc/02/63/94/1099026394.db2.gz GCNFUAAULWWYET-JKSUJKDBSA-N 2 1 312.461 3.083 20 0 DGADMP CSc1ncc(C)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430086 1099026952 /nfs/dbraw/zinc/02/69/52/1099026952.db2.gz DFLXYUDTJLUMOD-HOTGVXAUSA-N 2 1 319.518 3.324 20 0 DGADMP c1cnc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235431786 1099029070 /nfs/dbraw/zinc/02/90/70/1099029070.db2.gz VTMVXLOSAFQTJT-RTBURBONSA-N 2 1 309.457 3.446 20 0 DGADMP C[N@H+](Cc1c(F)cc(C(F)(F)F)cc1F)CC1CC[NH2+]CC1 ZINC001235433334 1099031351 /nfs/dbraw/zinc/03/13/51/1099031351.db2.gz SYCLHFBZCCREJC-UHFFFAOYSA-N 2 1 322.321 3.415 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235433226 1099031459 /nfs/dbraw/zinc/03/14/59/1099031459.db2.gz YBHAQQBQJJDGLS-LSDHHAIUSA-N 2 1 307.869 3.255 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235435196 1099032162 /nfs/dbraw/zinc/03/21/62/1099032162.db2.gz CBZGLCLUWLYMOI-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235435196 1099032175 /nfs/dbraw/zinc/03/21/75/1099032175.db2.gz CBZGLCLUWLYMOI-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP CCC[N@@H+]1CC[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238287 1099044947 /nfs/dbraw/zinc/04/49/47/1099044947.db2.gz JNJYVNVBMIXBFK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CC[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238287 1099044960 /nfs/dbraw/zinc/04/49/60/1099044960.db2.gz JNJYVNVBMIXBFK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@@H](N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238287 1099044969 /nfs/dbraw/zinc/04/49/69/1099044969.db2.gz JNJYVNVBMIXBFK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001179238287 1099044976 /nfs/dbraw/zinc/04/49/76/1099044976.db2.gz JNJYVNVBMIXBFK-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1Cl ZINC001235662861 1099112010 /nfs/dbraw/zinc/11/20/10/1099112010.db2.gz BAIAQDKIKQAJDB-WCQYABFASA-N 2 1 302.796 3.263 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccccc1Cl ZINC001235662861 1099112014 /nfs/dbraw/zinc/11/20/14/1099112014.db2.gz BAIAQDKIKQAJDB-WCQYABFASA-N 2 1 302.796 3.263 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001235672924 1099116692 /nfs/dbraw/zinc/11/66/92/1099116692.db2.gz AHOCLFNABDKVPW-CABCVRRESA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001235672924 1099116699 /nfs/dbraw/zinc/11/66/99/1099116699.db2.gz AHOCLFNABDKVPW-CABCVRRESA-N 2 1 308.853 3.101 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001235675018 1099117775 /nfs/dbraw/zinc/11/77/75/1099117775.db2.gz HTQCINBNPZIANP-GFCCVEGCSA-N 2 1 302.340 3.064 20 0 DGADMP C[NH2+]CCC[NH+]1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC001235675810 1099118209 /nfs/dbraw/zinc/11/82/09/1099118209.db2.gz UFWZDYHAHWHJGE-UHFFFAOYSA-N 2 1 316.367 3.158 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC001235688911 1099127942 /nfs/dbraw/zinc/12/79/42/1099127942.db2.gz VHIUBNAQDNLCQC-GOSISDBHSA-N 2 1 306.450 3.058 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235687801 1099129019 /nfs/dbraw/zinc/12/90/19/1099129019.db2.gz IYANILVAOSUMEG-DLBZAZTESA-N 2 1 318.461 3.071 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235687801 1099129024 /nfs/dbraw/zinc/12/90/24/1099129024.db2.gz IYANILVAOSUMEG-DLBZAZTESA-N 2 1 318.461 3.071 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235689167 1099129148 /nfs/dbraw/zinc/12/91/48/1099129148.db2.gz YHSNHKOTJQRHMN-GOSISDBHSA-N 2 1 318.436 3.059 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235693645 1099133030 /nfs/dbraw/zinc/13/30/30/1099133030.db2.gz YMGZHWWCNSFXBR-ZWKOTPCHSA-N 2 1 302.462 3.370 20 0 DGADMP COc1c(F)ccc(F)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235704883 1099138085 /nfs/dbraw/zinc/13/80/85/1099138085.db2.gz BNBYGNHAWHRUQI-UHFFFAOYSA-N 2 1 324.415 3.185 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccn1-c1ccccc1F ZINC001235716468 1099143998 /nfs/dbraw/zinc/14/39/98/1099143998.db2.gz DKQDGCHHHIYGHT-UHFFFAOYSA-N 2 1 315.436 3.438 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235715845 1099144371 /nfs/dbraw/zinc/14/43/71/1099144371.db2.gz UTBHWPHEWXENRN-IBGZPJMESA-N 2 1 314.473 3.057 20 0 DGADMP c1c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)sc2c1CC[NH2+]C2 ZINC001235715911 1099144390 /nfs/dbraw/zinc/14/43/90/1099144390.db2.gz XSZWJQXZLZSLMG-MRXNPFEDSA-N 2 1 312.482 3.458 20 0 DGADMP CCOc1ccc(F)c(C[N@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235717376 1099144446 /nfs/dbraw/zinc/14/44/46/1099144446.db2.gz SPUMIBCRSVBBJI-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP CCOc1ccc(F)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235717376 1099144452 /nfs/dbraw/zinc/14/44/52/1099144452.db2.gz SPUMIBCRSVBBJI-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)cccc1OC(F)F ZINC001235715771 1099144556 /nfs/dbraw/zinc/14/45/56/1099144556.db2.gz VYJYIJCQMZUGAO-UHFFFAOYSA-N 2 1 316.367 3.249 20 0 DGADMP COc1cccc([C@@H]2CCCC[N@H+]2CC2(F)CC[NH2+]CC2)c1 ZINC001235724143 1099147148 /nfs/dbraw/zinc/14/71/48/1099147148.db2.gz CHBCKNGOTKHQDC-KRWDZBQOSA-N 2 1 306.425 3.314 20 0 DGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580232 1099150106 /nfs/dbraw/zinc/15/01/06/1099150106.db2.gz ADXWSNHFWBCMJZ-XDXAGZTOSA-N 2 1 323.525 3.093 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2c(Br)ccc3ccccc32)C1 ZINC001235750653 1099163574 /nfs/dbraw/zinc/16/35/74/1099163574.db2.gz RCLJZNDUGPCPEE-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP COc1cccc(CC[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001235840325 1099201950 /nfs/dbraw/zinc/20/19/50/1099201950.db2.gz JYSWFDFCNLDGSC-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)CC1(F)CC[NH2+]CC1 ZINC001235839231 1099202621 /nfs/dbraw/zinc/20/26/21/1099202621.db2.gz OGIJZEFUVKWINA-UHFFFAOYSA-N 2 1 304.331 3.229 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841286 1099204939 /nfs/dbraw/zinc/20/49/39/1099204939.db2.gz CYLSVGMXJOEVJM-CYBMUJFWSA-N 2 1 311.267 3.107 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)c2)cc1 ZINC001235842868 1099207023 /nfs/dbraw/zinc/20/70/23/1099207023.db2.gz SFFBQUPNUZMJHZ-QGZVFWFLSA-N 2 1 310.441 3.404 20 0 DGADMP CCCCn1nc(C)c(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1Cl ZINC001179816534 1099212843 /nfs/dbraw/zinc/21/28/43/1099212843.db2.gz MEDNWOUQLBOJRV-FVQBIDKESA-N 2 1 324.900 3.075 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC001179830290 1099214411 /nfs/dbraw/zinc/21/44/11/1099214411.db2.gz OIECJKGOLLSMJO-OAHLLOKOSA-N 2 1 318.440 3.221 20 0 DGADMP C[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235867780 1099227905 /nfs/dbraw/zinc/22/79/05/1099227905.db2.gz UBZJAPVWOYAELL-OXJNMPFZSA-N 2 1 316.489 3.381 20 0 DGADMP Clc1cccc([C@H]2CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)c1Cl ZINC001235885818 1099233579 /nfs/dbraw/zinc/23/35/79/1099233579.db2.gz ZHPLCUCEBXNGAZ-SCUASFONSA-N 2 1 311.256 3.248 20 0 DGADMP CCOc1ccc(F)c(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235888396 1099234419 /nfs/dbraw/zinc/23/44/19/1099234419.db2.gz ORWSQAFTZGZVNT-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP c1ccc(COc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235929091 1099264945 /nfs/dbraw/zinc/26/49/45/1099264945.db2.gz HQHSGZGAWHOBEV-UYAOXDASSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(Cc2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235936350 1099270043 /nfs/dbraw/zinc/27/00/43/1099270043.db2.gz GQQVEPLOGAHSCO-NHCUHLMSSA-N 2 1 306.453 3.319 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235936544 1099270601 /nfs/dbraw/zinc/27/06/01/1099270601.db2.gz LFUFDLUEIZSTSJ-IRXDYDNUSA-N 2 1 324.424 3.226 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235936541 1099271160 /nfs/dbraw/zinc/27/11/60/1099271160.db2.gz LFUFDLUEIZSTSJ-IAGOWNOFSA-N 2 1 324.424 3.226 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC001235937514 1099272508 /nfs/dbraw/zinc/27/25/08/1099272508.db2.gz IIRYJZYQEIEZHK-DZGCQCFKSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC001235937514 1099272516 /nfs/dbraw/zinc/27/25/16/1099272516.db2.gz IIRYJZYQEIEZHK-DZGCQCFKSA-N 2 1 323.278 3.107 20 0 DGADMP CCc1cc(C[N@@H+](CCCOC)C2CC[NH2+]CC2)ccc1Cl ZINC001235939992 1099275843 /nfs/dbraw/zinc/27/58/43/1099275843.db2.gz LRZJWYOBEWLDET-UHFFFAOYSA-N 2 1 324.896 3.493 20 0 DGADMP CCCCc1ccc(C[N@@H+](CCOC)C2CC[NH2+]CC2)cc1 ZINC001235941778 1099277409 /nfs/dbraw/zinc/27/74/09/1099277409.db2.gz APPAOUJAHRNMAN-UHFFFAOYSA-N 2 1 304.478 3.230 20 0 DGADMP CCc1cc(C[N@H+](CCOC)C2CC[NH2+]CC2)ccc1Cl ZINC001235945972 1099279339 /nfs/dbraw/zinc/27/93/39/1099279339.db2.gz ZBFOZKLKOBOXNY-UHFFFAOYSA-N 2 1 310.869 3.103 20 0 DGADMP CCc1cc(C[N@@H+](CCOC)C2CC[NH2+]CC2)ccc1Cl ZINC001235945972 1099279343 /nfs/dbraw/zinc/27/93/43/1099279343.db2.gz ZBFOZKLKOBOXNY-UHFFFAOYSA-N 2 1 310.869 3.103 20 0 DGADMP COCC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235946738 1099279548 /nfs/dbraw/zinc/27/95/48/1099279548.db2.gz RGXONEVEKFBPLY-CRAIPNDOSA-N 2 1 322.880 3.144 20 0 DGADMP C[C@@H]([NH3+])CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947779 1099280953 /nfs/dbraw/zinc/28/09/53/1099280953.db2.gz FUCFKTVEZRQNJB-WIYYLYMNSA-N 2 1 323.484 3.110 20 0 DGADMP C(c1nc2c(s1)C[NH2+]CC2)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235950046 1099282353 /nfs/dbraw/zinc/28/23/53/1099282353.db2.gz YWXLJVMDLZSBHS-AWEZNQCLSA-N 2 1 305.491 3.191 20 0 DGADMP Fc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001235949442 1099283644 /nfs/dbraw/zinc/28/36/44/1099283644.db2.gz KTAUXRBSDZRDIL-GOSISDBHSA-N 2 1 310.416 3.461 20 0 DGADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001235957027 1099288799 /nfs/dbraw/zinc/28/87/99/1099288799.db2.gz JWFBCQYXJUAEFC-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001235957027 1099288808 /nfs/dbraw/zinc/28/88/08/1099288808.db2.gz JWFBCQYXJUAEFC-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001235957029 1099289092 /nfs/dbraw/zinc/28/90/92/1099289092.db2.gz JWFBCQYXJUAEFC-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001235957029 1099289105 /nfs/dbraw/zinc/28/91/05/1099289105.db2.gz JWFBCQYXJUAEFC-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1cc(Br)sc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957702 1099289766 /nfs/dbraw/zinc/28/97/66/1099289766.db2.gz SNYXFYGNXORPOL-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP Cc1cc(Br)sc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957702 1099289772 /nfs/dbraw/zinc/28/97/72/1099289772.db2.gz SNYXFYGNXORPOL-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP COc1ccc(SCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC001180093251 1099293608 /nfs/dbraw/zinc/29/36/08/1099293608.db2.gz QRHKBSIWUMGCKJ-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC001180093251 1099293623 /nfs/dbraw/zinc/29/36/23/1099293623.db2.gz QRHKBSIWUMGCKJ-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC001180093251 1099293638 /nfs/dbraw/zinc/29/36/38/1099293638.db2.gz QRHKBSIWUMGCKJ-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc(SCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC001180093251 1099293649 /nfs/dbraw/zinc/29/36/49/1099293649.db2.gz QRHKBSIWUMGCKJ-HUUCEWRRSA-N 2 1 308.491 3.202 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235961211 1099294100 /nfs/dbraw/zinc/29/41/00/1099294100.db2.gz AUMLFDFDTYEKFE-UHFFFAOYSA-N 2 1 309.457 3.182 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235962764 1099294272 /nfs/dbraw/zinc/29/42/72/1099294272.db2.gz PFYOMWMEGFRDPF-UHFFFAOYSA-N 2 1 309.457 3.182 20 0 DGADMP COc1ccccc1[C@H](C)[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235961730 1099294491 /nfs/dbraw/zinc/29/44/91/1099294491.db2.gz FCIBLMPKBJYDGX-HNNXBMFYSA-N 2 1 302.462 3.468 20 0 DGADMP C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](CCCCCC[NH3+])CCO1 ZINC001235967947 1099298431 /nfs/dbraw/zinc/29/84/31/1099298431.db2.gz BYYYIBZMKUGTCJ-KRWDZBQOSA-N 2 1 310.869 3.407 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CCC[C@@H](Oc4ccc(Cl)cc4)C3)(C1)C2 ZINC001235973935 1099303556 /nfs/dbraw/zinc/30/35/56/1099303556.db2.gz QCWJXDCKSRDGDO-WWDZGPRUSA-N 2 1 320.864 3.455 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980537 1099309331 /nfs/dbraw/zinc/30/93/31/1099309331.db2.gz PZIIWGWFGBYDJC-LNLFQRSKSA-N 2 1 306.494 3.077 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001235986819 1099310209 /nfs/dbraw/zinc/31/02/09/1099310209.db2.gz RILWIYMQUHFXRZ-MGPQQGTHSA-N 2 1 304.400 3.081 20 0 DGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001180124315 1099320822 /nfs/dbraw/zinc/32/08/22/1099320822.db2.gz UGAYWSICUVERLL-UHFFFAOYSA-N 2 1 323.525 3.095 20 0 DGADMP CSc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010904 1099333603 /nfs/dbraw/zinc/33/36/03/1099333603.db2.gz VNYLBXGMVRBYND-QUCCMNQESA-N 2 1 324.493 3.382 20 0 DGADMP Cc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)ccc1Br ZINC001236009535 1099333823 /nfs/dbraw/zinc/33/38/23/1099333823.db2.gz VCAAWYQXHOLLNR-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236041621 1099342994 /nfs/dbraw/zinc/34/29/94/1099342994.db2.gz JWVYXDJFQFQVEA-WFASDCNBSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236041621 1099343006 /nfs/dbraw/zinc/34/30/06/1099343006.db2.gz JWVYXDJFQFQVEA-WFASDCNBSA-N 2 1 300.368 3.138 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC001180225650 1099346503 /nfs/dbraw/zinc/34/65/03/1099346503.db2.gz VJQKEBFFTPTWPW-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC001180225650 1099346516 /nfs/dbraw/zinc/34/65/16/1099346516.db2.gz VJQKEBFFTPTWPW-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1)c1cccc2ccccc21 ZINC001236074327 1099371764 /nfs/dbraw/zinc/37/17/64/1099371764.db2.gz XUHHJHLILPIMBE-APWZRJJASA-N 2 1 323.484 3.051 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084657 1099376644 /nfs/dbraw/zinc/37/66/44/1099376644.db2.gz DEQLKTCPGGBCJM-CJNGLKHVSA-N 2 1 308.416 3.271 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084657 1099376652 /nfs/dbraw/zinc/37/66/52/1099376652.db2.gz DEQLKTCPGGBCJM-CJNGLKHVSA-N 2 1 308.416 3.271 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236092040 1099380933 /nfs/dbraw/zinc/38/09/33/1099380933.db2.gz DZABZWVIMWWNPW-RTBURBONSA-N 2 1 316.489 3.339 20 0 DGADMP CC(C)[N@@H+](CCCC[NH3+])C[C@H](O)c1ccc2ccccc2c1 ZINC001236100910 1099388492 /nfs/dbraw/zinc/38/84/92/1099388492.db2.gz KPAIYDKLVOVMSV-IBGZPJMESA-N 2 1 300.446 3.323 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC001236099475 1099389286 /nfs/dbraw/zinc/38/92/86/1099389286.db2.gz ZICHRYPWVCYVNU-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(Cl)cc1OC(F)(F)F ZINC001236141454 1099426617 /nfs/dbraw/zinc/42/66/17/1099426617.db2.gz GRACVPSNHXDMRW-UHFFFAOYSA-N 2 1 310.747 3.409 20 0 DGADMP CC1(C[N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001236181125 1099450927 /nfs/dbraw/zinc/45/09/27/1099450927.db2.gz FLCCRPZBOIMQQL-MRXNPFEDSA-N 2 1 308.853 3.103 20 0 DGADMP CC1(C[N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001236181125 1099450933 /nfs/dbraw/zinc/45/09/33/1099450933.db2.gz FLCCRPZBOIMQQL-MRXNPFEDSA-N 2 1 308.853 3.103 20 0 DGADMP CCC[N@@H+](Cc1cnc(OC)c2ccccc12)C1CC[NH2+]CC1 ZINC001236184795 1099455340 /nfs/dbraw/zinc/45/53/40/1099455340.db2.gz PRTSQWCOWHERSE-UHFFFAOYSA-N 2 1 313.445 3.207 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)cccc2OC(F)F)CC1 ZINC001236212635 1099468689 /nfs/dbraw/zinc/46/86/89/1099468689.db2.gz JYCXZIVHLYVESS-UHFFFAOYSA-N 2 1 316.367 3.390 20 0 DGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224474 1099482205 /nfs/dbraw/zinc/48/22/05/1099482205.db2.gz UVIUIXDIHUUXJU-HSFUPAIVSA-N 2 1 324.509 3.192 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226543 1099482258 /nfs/dbraw/zinc/48/22/58/1099482258.db2.gz OPKXSZJSSADHMN-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1F)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236240211 1099493778 /nfs/dbraw/zinc/49/37/78/1099493778.db2.gz JQYUYIVVLAQIJE-YPMHNXCESA-N 2 1 318.358 3.278 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1F)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236240211 1099493783 /nfs/dbraw/zinc/49/37/83/1099493783.db2.gz JQYUYIVVLAQIJE-YPMHNXCESA-N 2 1 318.358 3.278 20 0 DGADMP COc1ccccc1CC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288043 1099518876 /nfs/dbraw/zinc/51/88/76/1099518876.db2.gz VRAMFYPAYDBLQI-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP c1ccc(C[N@H+](Cc2cccc3c2NCC3)C2CC[NH2+]CC2)cc1 ZINC001236303492 1099524009 /nfs/dbraw/zinc/52/40/09/1099524009.db2.gz BHTGZRPXOLGAPX-UHFFFAOYSA-N 2 1 321.468 3.409 20 0 DGADMP c1ccc(C[N@@H+](Cc2cccc3c2NCC3)C2CC[NH2+]CC2)cc1 ZINC001236303492 1099524018 /nfs/dbraw/zinc/52/40/18/1099524018.db2.gz BHTGZRPXOLGAPX-UHFFFAOYSA-N 2 1 321.468 3.409 20 0 DGADMP FC(F)(F)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314622 1099528720 /nfs/dbraw/zinc/52/87/20/1099528720.db2.gz FFIKVNGCLKYHGA-BETUJISGSA-N 2 1 314.351 3.017 20 0 DGADMP Clc1cccc(Cl)c1CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315084 1099530008 /nfs/dbraw/zinc/53/00/08/1099530008.db2.gz VQSBPXDKRXPVBB-BETUJISGSA-N 2 1 313.272 3.467 20 0 DGADMP COc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236315655 1099530195 /nfs/dbraw/zinc/53/01/95/1099530195.db2.gz MFLICKRTHOFJBP-KDURUIRLSA-N 2 1 310.441 3.280 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236316142 1099530215 /nfs/dbraw/zinc/53/02/15/1099530215.db2.gz PGKKXFBBNLTJHH-HDICACEKSA-N 2 1 302.462 3.153 20 0 DGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371298 1099557666 /nfs/dbraw/zinc/55/76/66/1099557666.db2.gz KMEOAKVEOVYLIU-KRWDZBQOSA-N 3 1 319.537 3.010 20 0 DGADMP CN(C)c1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375031 1099561292 /nfs/dbraw/zinc/56/12/92/1099561292.db2.gz HNOIFUMQXVJTTB-SFHVURJKSA-N 2 1 315.505 3.497 20 0 DGADMP Cc1cc(C)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cn1 ZINC001236377215 1099563669 /nfs/dbraw/zinc/56/36/69/1099563669.db2.gz YVABRQVAPGESMP-QGZVFWFLSA-N 2 1 301.478 3.443 20 0 DGADMP Oc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236376039 1099564906 /nfs/dbraw/zinc/56/49/06/1099564906.db2.gz OKQUETLKCLIJGF-AWEZNQCLSA-N 2 1 306.425 3.276 20 0 DGADMP Oc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236376039 1099564915 /nfs/dbraw/zinc/56/49/15/1099564915.db2.gz OKQUETLKCLIJGF-AWEZNQCLSA-N 2 1 306.425 3.276 20 0 DGADMP Cc1c(O)cccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236377181 1099565015 /nfs/dbraw/zinc/56/50/15/1099565015.db2.gz YLIFDNZNYPTEIU-MRXNPFEDSA-N 2 1 302.462 3.445 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C[C@@H]1CC[NH2+]C1 ZINC001236407097 1099580076 /nfs/dbraw/zinc/58/00/76/1099580076.db2.gz BPSFBEUGSXCYJE-MRXNPFEDSA-N 2 1 302.462 3.222 20 0 DGADMP CC[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236409174 1099582010 /nfs/dbraw/zinc/58/20/10/1099582010.db2.gz YCDAZWKWIRBABU-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP CC[N@H+](Cc1cccc(Br)c1C)C[C@H]1CC[NH2+]C1 ZINC001236409615 1099584346 /nfs/dbraw/zinc/58/43/46/1099584346.db2.gz CQTMWQNIOCCAEQ-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236413025 1099587651 /nfs/dbraw/zinc/58/76/51/1099587651.db2.gz MZUHITLMXXKGDJ-PMOLBWCYSA-N 2 1 308.425 3.012 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236413025 1099587655 /nfs/dbraw/zinc/58/76/55/1099587655.db2.gz MZUHITLMXXKGDJ-PMOLBWCYSA-N 2 1 308.425 3.012 20 0 DGADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001236422274 1099598531 /nfs/dbraw/zinc/59/85/31/1099598531.db2.gz DYGWNFJUVOTWGZ-GOSISDBHSA-N 2 1 302.462 3.360 20 0 DGADMP C[NH+](C)Cc1cccc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001236422934 1099598682 /nfs/dbraw/zinc/59/86/82/1099598682.db2.gz JSAPORKQGLFOMW-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC001236434371 1099610987 /nfs/dbraw/zinc/61/09/87/1099610987.db2.gz PIINKWNYEOPVED-UHFFFAOYSA-N 2 1 308.425 3.247 20 0 DGADMP CCC1(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)COC1 ZINC001236453356 1099619502 /nfs/dbraw/zinc/61/95/02/1099619502.db2.gz QOVXIPFYNXMNHN-UHFFFAOYSA-N 2 1 322.880 3.321 20 0 DGADMP COc1cccc(OC)c1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456372 1099619934 /nfs/dbraw/zinc/61/99/34/1099619934.db2.gz CSMYINRBJQGBJO-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP COc1cccc(OC)c1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456372 1099619943 /nfs/dbraw/zinc/61/99/43/1099619943.db2.gz CSMYINRBJQGBJO-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP Clc1ccc(C[N@H+](C[C@H]2CCCCO2)C2CC[NH2+]CC2)cc1 ZINC001236452286 1099620105 /nfs/dbraw/zinc/62/01/05/1099620105.db2.gz BFVOGEUOKKSACW-GOSISDBHSA-N 2 1 322.880 3.463 20 0 DGADMP Clc1ccc(C[N@@H+](C[C@H]2CCCCO2)C2CC[NH2+]CC2)cc1 ZINC001236452286 1099620108 /nfs/dbraw/zinc/62/01/08/1099620108.db2.gz BFVOGEUOKKSACW-GOSISDBHSA-N 2 1 322.880 3.463 20 0 DGADMP COc1cccc(CC[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236454815 1099620342 /nfs/dbraw/zinc/62/03/42/1099620342.db2.gz MLJYWTBJKPRRLL-UHFFFAOYSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccc(F)cc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457450 1099620487 /nfs/dbraw/zinc/62/04/87/1099620487.db2.gz KVXCDBXDCAJVJE-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP COc1ccc(F)cc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457450 1099620493 /nfs/dbraw/zinc/62/04/93/1099620493.db2.gz KVXCDBXDCAJVJE-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CCOc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccn1 ZINC001236460073 1099622205 /nfs/dbraw/zinc/62/22/05/1099622205.db2.gz MLSDGRNWQRCYLD-UHFFFAOYSA-N 2 1 305.466 3.080 20 0 DGADMP CC(C)(C)C[N@H+](Cc1[nH]nc2ccc(F)cc21)C1CC[NH2+]CC1 ZINC001236458529 1099622304 /nfs/dbraw/zinc/62/23/04/1099622304.db2.gz VZCXNOKPABRBRP-UHFFFAOYSA-N 2 1 318.440 3.302 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1[nH]nc2ccc(F)cc21)C1CC[NH2+]CC1 ZINC001236458529 1099622314 /nfs/dbraw/zinc/62/23/14/1099622314.db2.gz VZCXNOKPABRBRP-UHFFFAOYSA-N 2 1 318.440 3.302 20 0 DGADMP C[NH2+]Cc1cc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC001236471325 1099631401 /nfs/dbraw/zinc/63/14/01/1099631401.db2.gz TYZLNCVKKPOUHN-MOPGFXCFSA-N 2 1 320.440 3.016 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001236537589 1099671281 /nfs/dbraw/zinc/67/12/81/1099671281.db2.gz YHFWONZQLYMVHW-LJQANCHMSA-N 2 1 323.440 3.037 20 0 DGADMP Nc1ccc(Cl)nc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541574 1099672333 /nfs/dbraw/zinc/67/23/33/1099672333.db2.gz GVNGMRSUBDGIBQ-HDJSIYSDSA-N 2 1 322.884 3.189 20 0 DGADMP COc1ncc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236550665 1099675389 /nfs/dbraw/zinc/67/53/89/1099675389.db2.gz LNEPWDGMRVPZSA-QAQDUYKDSA-N 2 1 305.466 3.127 20 0 DGADMP COc1cccc(OC)c1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552324 1099677344 /nfs/dbraw/zinc/67/73/44/1099677344.db2.gz UYRAXBKZEPAWAT-WKILWMFISA-N 2 1 320.477 3.432 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc2c1OCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554501 1099677799 /nfs/dbraw/zinc/67/77/99/1099677799.db2.gz HVJTVZJSSJQTIW-IYARVYRRSA-N 2 1 302.462 3.349 20 0 DGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599202 1099695020 /nfs/dbraw/zinc/69/50/20/1099695020.db2.gz AAAMFQNITNITTF-GFCCVEGCSA-N 2 1 318.852 3.180 20 0 DGADMP Clc1ccc2c(c1)n[nH]c2C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599202 1099695022 /nfs/dbraw/zinc/69/50/22/1099695022.db2.gz AAAMFQNITNITTF-GFCCVEGCSA-N 2 1 318.852 3.180 20 0 DGADMP Fc1ccc2[nH]cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c2c1 ZINC001236599095 1099695709 /nfs/dbraw/zinc/69/57/09/1099695709.db2.gz PMXCZJUSAPNFNN-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP CN(C)c1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236654273 1099725036 /nfs/dbraw/zinc/72/50/36/1099725036.db2.gz UUTOJYBANXVPDW-OAHLLOKOSA-N 2 1 307.507 3.311 20 0 DGADMP CN(C)c1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236654273 1099725043 /nfs/dbraw/zinc/72/50/43/1099725043.db2.gz UUTOJYBANXVPDW-OAHLLOKOSA-N 2 1 307.507 3.311 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)OCO2)CC1CC2(C1)CC[NH2+]CC2 ZINC001236662582 1099730953 /nfs/dbraw/zinc/73/09/53/1099730953.db2.gz KTCPJOJMLVGPQZ-UHFFFAOYSA-N 2 1 316.445 3.017 20 0 DGADMP CN1CCC[C@H](C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681075 1099739270 /nfs/dbraw/zinc/73/92/70/1099739270.db2.gz APJMBMPOBSYMCI-UFYCRDLUSA-N 2 1 315.505 3.100 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681075 1099739277 /nfs/dbraw/zinc/73/92/77/1099739277.db2.gz APJMBMPOBSYMCI-UFYCRDLUSA-N 3 1 315.505 3.100 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681075 1099739284 /nfs/dbraw/zinc/73/92/84/1099739284.db2.gz APJMBMPOBSYMCI-UFYCRDLUSA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681075 1099739290 /nfs/dbraw/zinc/73/92/90/1099739290.db2.gz APJMBMPOBSYMCI-UFYCRDLUSA-N 3 1 315.505 3.100 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236681075 1099739298 /nfs/dbraw/zinc/73/92/98/1099739298.db2.gz APJMBMPOBSYMCI-UFYCRDLUSA-N 3 1 315.505 3.100 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCC[NH2+]2)Cc2ccccc2)CC1 ZINC001236682383 1099740916 /nfs/dbraw/zinc/74/09/16/1099740916.db2.gz SMTFRSCYBHFUHJ-VAMGGRTRSA-N 3 1 315.505 3.291 20 0 DGADMP Cc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236714256 1099755088 /nfs/dbraw/zinc/75/50/88/1099755088.db2.gz LIAQCXYYDOOMTD-MXVIHJGJSA-N 3 1 315.505 3.067 20 0 DGADMP Nc1nc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001236758059 1099771586 /nfs/dbraw/zinc/77/15/86/1099771586.db2.gz BCFKRJUVIKLWDU-KOMQPUFPSA-N 2 1 322.522 3.378 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767234 1099775784 /nfs/dbraw/zinc/77/57/84/1099775784.db2.gz LMCSRJNQYFCBTD-IYARVYRRSA-N 3 1 303.494 3.263 20 0 DGADMP COc1ncc(F)cc1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236779990 1099780539 /nfs/dbraw/zinc/78/05/39/1099780539.db2.gz NRTHYYASMWRXFQ-WKILWMFISA-N 2 1 323.456 3.347 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@@H]12 ZINC001236818923 1099806346 /nfs/dbraw/zinc/80/63/46/1099806346.db2.gz KZIOTQGIYKMMOE-FVQBIDKESA-N 2 1 323.278 3.051 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@@H]12 ZINC001236822072 1099808413 /nfs/dbraw/zinc/80/84/13/1099808413.db2.gz XZXQOZFAPVMDFA-FVQBIDKESA-N 2 1 323.278 3.051 20 0 DGADMP CCC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835929 1099822918 /nfs/dbraw/zinc/82/29/18/1099822918.db2.gz QWEKZAREHWSHLB-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP CCC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236844601 1099828542 /nfs/dbraw/zinc/82/85/42/1099828542.db2.gz WPTXKTUZGVYAFE-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+](Cc1cc(OC)ccc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236844601 1099828551 /nfs/dbraw/zinc/82/85/51/1099828551.db2.gz WPTXKTUZGVYAFE-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236844051 1099830263 /nfs/dbraw/zinc/83/02/63/1099830263.db2.gz SLMOMGNCBGWQIO-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC001236846470 1099831996 /nfs/dbraw/zinc/83/19/96/1099831996.db2.gz DOYQXVWMFUJQDO-QGZVFWFLSA-N 2 1 304.434 3.129 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236887739 1099852510 /nfs/dbraw/zinc/85/25/10/1099852510.db2.gz OOJJOHWSCGPGDC-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC34CCCCC4)c2)CC1 ZINC001236887793 1099853717 /nfs/dbraw/zinc/85/37/17/1099853717.db2.gz PTPUEEXYYXMSCJ-UHFFFAOYSA-N 2 1 313.489 3.347 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC001236897091 1099859208 /nfs/dbraw/zinc/85/92/08/1099859208.db2.gz DEJCUICDUIVHJP-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC001236899433 1099863516 /nfs/dbraw/zinc/86/35/16/1099863516.db2.gz RYZIMBLABCBJPR-IRXDYDNUSA-N 2 1 301.478 3.059 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1Cl)C1CCOCC1 ZINC001236914399 1099873098 /nfs/dbraw/zinc/87/30/98/1099873098.db2.gz VSLUBCCSICAZCO-UHFFFAOYSA-N 2 1 305.809 3.137 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)ccc1-n1ccnc1 ZINC001236914004 1099874748 /nfs/dbraw/zinc/87/47/48/1099874748.db2.gz KJEZZZJFDDAPME-KRWDZBQOSA-N 2 1 317.820 3.281 20 0 DGADMP Clc1cc(CN2CCC[C@]3(CCO3)C2)ccc1-n1ccnc1 ZINC001236914004 1099874755 /nfs/dbraw/zinc/87/47/55/1099874755.db2.gz KJEZZZJFDDAPME-KRWDZBQOSA-N 2 1 317.820 3.281 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001278029900 1099882677 /nfs/dbraw/zinc/88/26/77/1099882677.db2.gz XMDADCWWMXVJNV-AJYUKVHDSA-N 2 1 323.525 3.052 20 0 DGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001278029900 1099882686 /nfs/dbraw/zinc/88/26/86/1099882686.db2.gz XMDADCWWMXVJNV-AJYUKVHDSA-N 2 1 323.525 3.052 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001278029903 1099882850 /nfs/dbraw/zinc/88/28/50/1099882850.db2.gz XMDADCWWMXVJNV-XWDNEUNKSA-N 2 1 323.525 3.052 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001278029903 1099882858 /nfs/dbraw/zinc/88/28/58/1099882858.db2.gz XMDADCWWMXVJNV-XWDNEUNKSA-N 2 1 323.525 3.052 20 0 DGADMP [NH3+]C12CC(CC[N@@H+]3CC[C@@H](Cc4ccccc4)C(F)(F)C3)(C1)C2 ZINC001237041238 1099938729 /nfs/dbraw/zinc/93/87/29/1099938729.db2.gz FOFYMXXXCRGVKF-AOCRQIFASA-N 2 1 320.427 3.458 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CC[C@@H](Cc4ccccc4)C(F)(F)C3)(C1)C2 ZINC001237041238 1099938740 /nfs/dbraw/zinc/93/87/40/1099938740.db2.gz FOFYMXXXCRGVKF-AOCRQIFASA-N 2 1 320.427 3.458 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237059870 1099950524 /nfs/dbraw/zinc/95/05/24/1099950524.db2.gz WTYADBPJGCZFAS-OAHLLOKOSA-N 2 1 316.367 3.275 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237059870 1099950527 /nfs/dbraw/zinc/95/05/27/1099950527.db2.gz WTYADBPJGCZFAS-OAHLLOKOSA-N 2 1 316.367 3.275 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(O)cc4ccccc43)C[C@H]2C1 ZINC001237077309 1099955370 /nfs/dbraw/zinc/95/53/70/1099955370.db2.gz UDBHTKOERRFFMN-QZTJIDSGSA-N 2 1 310.441 3.319 20 0 DGADMP C[NH+](C)CCCN1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278048721 1099956351 /nfs/dbraw/zinc/95/63/51/1099956351.db2.gz AXXRQCABFXUZBP-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC001278049743 1099957889 /nfs/dbraw/zinc/95/78/89/1099957889.db2.gz PNICWHQSHJMRQJ-GBESFXJTSA-N 2 1 309.542 3.303 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237103135 1099971788 /nfs/dbraw/zinc/97/17/88/1099971788.db2.gz SKLGRWDCLSZIRP-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237103135 1099971796 /nfs/dbraw/zinc/97/17/96/1099971796.db2.gz SKLGRWDCLSZIRP-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@H]1C ZINC001237115614 1099979060 /nfs/dbraw/zinc/97/90/60/1099979060.db2.gz YMLQTXSEWPJISN-SJORKVTESA-N 2 1 324.509 3.210 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237154811 1100004033 /nfs/dbraw/zinc/00/40/33/1100004033.db2.gz NAHRBRSSLXRNOL-INIZCTEOSA-N 2 1 313.445 3.283 20 0 DGADMP COc1ccc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237154811 1100004040 /nfs/dbraw/zinc/00/40/40/1100004040.db2.gz NAHRBRSSLXRNOL-INIZCTEOSA-N 2 1 313.445 3.283 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237157135 1100007134 /nfs/dbraw/zinc/00/71/34/1100007134.db2.gz ZCACZDRKQOLVGM-FQEVSTJZSA-N 2 1 324.472 3.287 20 0 DGADMP C(C[NH+]1CCCC1)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278060474 1100013461 /nfs/dbraw/zinc/01/34/61/1100013461.db2.gz UEUQSIYBCORAJN-HXUWFJFHSA-N 2 1 319.537 3.203 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)CC1(F)CC[NH2+]CC1 ZINC001237263640 1100050429 /nfs/dbraw/zinc/05/04/29/1100050429.db2.gz DXAHQQQEBXRNPF-UHFFFAOYSA-N 2 1 318.358 3.271 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CCC3(CC1)[NH2+]Cc1ccccc13)C2 ZINC001237358659 1100093631 /nfs/dbraw/zinc/09/36/31/1100093631.db2.gz HTEVKIZRINCWNA-UHFFFAOYSA-N 2 1 318.464 3.496 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237388150 1100105426 /nfs/dbraw/zinc/10/54/26/1100105426.db2.gz CKMPLIBONQCGCP-HKUYNNGSSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237388150 1100105434 /nfs/dbraw/zinc/10/54/34/1100105434.db2.gz CKMPLIBONQCGCP-HKUYNNGSSA-N 2 1 302.462 3.295 20 0 DGADMP c1cc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)ccn1 ZINC001237389570 1100105448 /nfs/dbraw/zinc/10/54/48/1100105448.db2.gz GRVKPZONLZJVSP-PMACEKPBSA-N 2 1 307.441 3.323 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237415244 1100120397 /nfs/dbraw/zinc/12/03/97/1100120397.db2.gz PKRRAQZSFWJISE-WMZOPIPTSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237415244 1100120399 /nfs/dbraw/zinc/12/03/99/1100120399.db2.gz PKRRAQZSFWJISE-WMZOPIPTSA-N 2 1 302.462 3.438 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237554868 1100171845 /nfs/dbraw/zinc/17/18/45/1100171845.db2.gz UQIZRYLCMAXJSF-ROUUACIJSA-N 2 1 307.441 3.132 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2ncnc(Cl)c2c1 ZINC001237588205 1100181985 /nfs/dbraw/zinc/18/19/85/1100181985.db2.gz NAEDMDZUOISSDV-UHFFFAOYSA-N 2 1 320.868 3.447 20 0 DGADMP Cc1coc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001237648238 1100202028 /nfs/dbraw/zinc/20/20/28/1100202028.db2.gz FHQULLXGKOVFJJ-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Cc1coc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001237648238 1100202033 /nfs/dbraw/zinc/20/20/33/1100202033.db2.gz FHQULLXGKOVFJJ-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(CC[NH+]1CCCCC1)C2 ZINC001278147700 1100251843 /nfs/dbraw/zinc/25/18/43/1100251843.db2.gz ZGKLRBKMXQGGPF-IBGZPJMESA-N 2 1 321.553 3.449 20 0 DGADMP CC[N@H+](CCN(C)C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237880732 1100280770 /nfs/dbraw/zinc/28/07/70/1100280770.db2.gz JTQUGAKFSRMZDF-UHFFFAOYSA-N 2 1 301.478 3.071 20 0 DGADMP CC[N@@H+](CCN(C)C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237880732 1100280775 /nfs/dbraw/zinc/28/07/75/1100280775.db2.gz JTQUGAKFSRMZDF-UHFFFAOYSA-N 2 1 301.478 3.071 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](CCO)C3)cc21 ZINC001237887119 1100283207 /nfs/dbraw/zinc/28/32/07/1100283207.db2.gz RQSSNPRTYCFOCA-MRXNPFEDSA-N 2 1 314.473 3.282 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237909462 1100291748 /nfs/dbraw/zinc/29/17/48/1100291748.db2.gz OEBCKBOFUGCBCW-HXUWFJFHSA-N 2 1 314.473 3.108 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237909462 1100291754 /nfs/dbraw/zinc/29/17/54/1100291754.db2.gz OEBCKBOFUGCBCW-HXUWFJFHSA-N 2 1 314.473 3.108 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237909462 1100291760 /nfs/dbraw/zinc/29/17/60/1100291760.db2.gz OEBCKBOFUGCBCW-HXUWFJFHSA-N 2 1 314.473 3.108 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238113802 1100366169 /nfs/dbraw/zinc/36/61/69/1100366169.db2.gz MMGOXRWHDBNNDP-GOSISDBHSA-N 2 1 307.397 3.296 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238113802 1100366177 /nfs/dbraw/zinc/36/61/77/1100366177.db2.gz MMGOXRWHDBNNDP-GOSISDBHSA-N 2 1 307.397 3.296 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205545816 1100371872 /nfs/dbraw/zinc/37/18/72/1100371872.db2.gz NIUAGGPJBRJCJT-CQSZACIVSA-N 2 1 304.331 3.358 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[NH+](CC3CCCC3)CC2)c1C ZINC001238174663 1100380661 /nfs/dbraw/zinc/38/06/61/1100380661.db2.gz ANOOFMCYVBBBKJ-UHFFFAOYSA-N 2 1 317.477 3.015 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001238426466 1100439508 /nfs/dbraw/zinc/43/95/08/1100439508.db2.gz IQWVVXKGOKYJFW-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OC(C)C)ccc3C)C[C@@H]2C1 ZINC001238483942 1100455262 /nfs/dbraw/zinc/45/52/62/1100455262.db2.gz ZIGALXGXZOIJRX-ROUUACIJSA-N 2 1 302.462 3.166 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001191453222 1100460750 /nfs/dbraw/zinc/46/07/50/1100460750.db2.gz DKVFAMOURUJYFU-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)Oc1c(F)ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001238530406 1100467065 /nfs/dbraw/zinc/46/70/65/1100467065.db2.gz WWIHLXJWFHGVIA-UHFFFAOYSA-N 2 1 324.415 3.280 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cnc(C3CC3)c(C)c2)CC1 ZINC001238632920 1100489306 /nfs/dbraw/zinc/48/93/06/1100489306.db2.gz WFBQPRFDAOFMNP-UHFFFAOYSA-N 2 1 322.456 3.293 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC001191600192 1100493170 /nfs/dbraw/zinc/49/31/70/1100493170.db2.gz CMJIMXRTULROKR-HKUYNNGSSA-N 2 1 315.505 3.101 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC001191600192 1100493174 /nfs/dbraw/zinc/49/31/74/1100493174.db2.gz CMJIMXRTULROKR-HKUYNNGSSA-N 2 1 315.505 3.101 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238690642 1100503017 /nfs/dbraw/zinc/50/30/17/1100503017.db2.gz QIUCLYAJFGSDHQ-CALCHBBNSA-N 2 1 304.503 3.491 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238690642 1100503024 /nfs/dbraw/zinc/50/30/24/1100503024.db2.gz QIUCLYAJFGSDHQ-CALCHBBNSA-N 2 1 304.503 3.491 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238690642 1100503029 /nfs/dbraw/zinc/50/30/29/1100503029.db2.gz QIUCLYAJFGSDHQ-CALCHBBNSA-N 2 1 304.503 3.491 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238690642 1100503033 /nfs/dbraw/zinc/50/30/33/1100503033.db2.gz QIUCLYAJFGSDHQ-CALCHBBNSA-N 2 1 304.503 3.491 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc(OCC)ccc3C)C[C@H]2C1 ZINC001238712106 1100509754 /nfs/dbraw/zinc/50/97/54/1100509754.db2.gz NHWZERSBSROCID-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OCC)ccc3C)C[C@@H]2C1 ZINC001238712106 1100509763 /nfs/dbraw/zinc/50/97/63/1100509763.db2.gz NHWZERSBSROCID-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OCC)ccc3C)C[C@@H]2C1 ZINC001238712106 1100509770 /nfs/dbraw/zinc/50/97/70/1100509770.db2.gz NHWZERSBSROCID-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OCC)ccc3C)C[C@@H]2C1 ZINC001238712106 1100509774 /nfs/dbraw/zinc/50/97/74/1100509774.db2.gz NHWZERSBSROCID-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OCC)ccc3C)C[C@@H]2C1 ZINC001238712106 1100509777 /nfs/dbraw/zinc/50/97/77/1100509777.db2.gz NHWZERSBSROCID-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(C)c1OC(C)C ZINC001238751663 1100519361 /nfs/dbraw/zinc/51/93/61/1100519361.db2.gz JAUAOGHYJPODOF-HDICACEKSA-N 2 1 302.462 3.084 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1OC(C)C ZINC001238751663 1100519364 /nfs/dbraw/zinc/51/93/64/1100519364.db2.gz JAUAOGHYJPODOF-HDICACEKSA-N 2 1 302.462 3.084 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1OC(C)C ZINC001238751663 1100519370 /nfs/dbraw/zinc/51/93/70/1100519370.db2.gz JAUAOGHYJPODOF-HDICACEKSA-N 2 1 302.462 3.084 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205638118 1100764921 /nfs/dbraw/zinc/76/49/21/1100764921.db2.gz LMVMHKRMRBVJPJ-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP CCCN(CC[NH+]1CCCCC1)C[C@@H]1CCCC[N@H+]1C(C)C ZINC001194241830 1100901072 /nfs/dbraw/zinc/90/10/72/1100901072.db2.gz SNYQWSBTMSNXKZ-IBGZPJMESA-N 2 1 309.542 3.447 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001240293536 1100928022 /nfs/dbraw/zinc/92/80/22/1100928022.db2.gz JSBYJYTXHVLPTL-UHFFFAOYSA-N 2 1 323.484 3.163 20 0 DGADMP CC(C)(C)[NH2+]Cc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001240370614 1100964243 /nfs/dbraw/zinc/96/42/43/1100964243.db2.gz USPAOFDNQREEBJ-UHFFFAOYSA-N 2 1 324.472 3.046 20 0 DGADMP C[NH+](C)Cc1ccnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240386222 1100967985 /nfs/dbraw/zinc/96/79/85/1100967985.db2.gz GEYBISLMYDCJPS-UHFFFAOYSA-N 2 1 307.441 3.433 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3cccc(C4([NH3+])CC4)c3)cc2)CC1 ZINC001240408390 1100981688 /nfs/dbraw/zinc/98/16/88/1100981688.db2.gz HLFDJGSTIUOUHN-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3cccc(C(C)(C)[NH3+])c3)cc2)CC1 ZINC001240409186 1100983023 /nfs/dbraw/zinc/98/30/23/1100983023.db2.gz ZVVPOFBLBWYDKA-UHFFFAOYSA-N 2 1 323.484 3.295 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001195487964 1101148014 /nfs/dbraw/zinc/14/80/14/1101148014.db2.gz MKLYGEXAHXVVRV-VQTJNVASSA-N 2 1 318.505 3.176 20 0 DGADMP C[NH+]1CCN(c2ccc(-c3ccc4c(c3)C[N@H+](C)CC4)cc2)CC1 ZINC001240854257 1101159075 /nfs/dbraw/zinc/15/90/75/1101159075.db2.gz JADKZYRDLCFMGX-UHFFFAOYSA-N 2 1 321.468 3.093 20 0 DGADMP [NH3+]Cc1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001240859367 1101161130 /nfs/dbraw/zinc/16/11/30/1101161130.db2.gz SWHMNEGAQPNOGO-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CC3CC3)cc2)C[C@H](C)O1 ZINC001195651632 1101176733 /nfs/dbraw/zinc/17/67/33/1101176733.db2.gz XTIAZMMNUJPWNS-IYBDPMFKSA-N 2 1 302.462 3.138 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CC3CC3)cc2)C[C@H](C)O1 ZINC001195651632 1101176737 /nfs/dbraw/zinc/17/67/37/1101176737.db2.gz XTIAZMMNUJPWNS-IYBDPMFKSA-N 2 1 302.462 3.138 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CC3CC3)cc2)C[C@H](C)O1 ZINC001195651632 1101176740 /nfs/dbraw/zinc/17/67/40/1101176740.db2.gz XTIAZMMNUJPWNS-IYBDPMFKSA-N 2 1 302.462 3.138 20 0 DGADMP Fc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1Cl ZINC001241232224 1101303959 /nfs/dbraw/zinc/30/39/59/1101303959.db2.gz ZVJIRKJHALRGHD-UHFFFAOYSA-N 2 1 301.752 3.481 20 0 DGADMP CC[C@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001196834287 1101402899 /nfs/dbraw/zinc/40/28/99/1101402899.db2.gz YFUVMLILCQAVJW-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CCCCC1 ZINC001197376161 1101559344 /nfs/dbraw/zinc/55/93/44/1101559344.db2.gz ALLMOCWOMVRSOS-QFBILLFUSA-N 2 1 317.477 3.187 20 0 DGADMP C[N@@H+]1CCc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc2C1 ZINC001241819900 1101726348 /nfs/dbraw/zinc/72/63/48/1101726348.db2.gz XFKQJRIECJFAHO-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP C[N@H+]1CCc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc2C1 ZINC001241819900 1101726357 /nfs/dbraw/zinc/72/63/57/1101726357.db2.gz XFKQJRIECJFAHO-UHFFFAOYSA-N 2 1 322.452 3.174 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC001199143443 1102068474 /nfs/dbraw/zinc/06/84/74/1102068474.db2.gz FUFAMKMIBWSXHJ-HNNXBMFYSA-N 2 1 302.462 3.220 20 0 DGADMP FC(F)Oc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001242439034 1102134279 /nfs/dbraw/zinc/13/42/79/1102134279.db2.gz DYMDWENUTYRTPS-UHFFFAOYSA-N 2 1 315.323 3.290 20 0 DGADMP CCCOc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OCC ZINC001199863733 1102225639 /nfs/dbraw/zinc/22/56/39/1102225639.db2.gz FNIQBMQVFBSCQB-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408892 1102577166 /nfs/dbraw/zinc/57/71/66/1102577166.db2.gz LTNTVSKKOYCNKX-OALUTQOASA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408892 1102577178 /nfs/dbraw/zinc/57/71/78/1102577178.db2.gz LTNTVSKKOYCNKX-OALUTQOASA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408892 1102577180 /nfs/dbraw/zinc/57/71/80/1102577180.db2.gz LTNTVSKKOYCNKX-OALUTQOASA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408892 1102577192 /nfs/dbraw/zinc/57/71/92/1102577192.db2.gz LTNTVSKKOYCNKX-OALUTQOASA-N 2 1 306.494 3.166 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H]1CC=CCC1)C2 ZINC001201410850 1102593953 /nfs/dbraw/zinc/59/39/53/1102593953.db2.gz MSZDAOSGUOSEIH-RLLQIKCJSA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001201410850 1102593959 /nfs/dbraw/zinc/59/39/59/1102593959.db2.gz MSZDAOSGUOSEIH-RLLQIKCJSA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201410850 1102593966 /nfs/dbraw/zinc/59/39/66/1102593966.db2.gz MSZDAOSGUOSEIH-RLLQIKCJSA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H]1CC=CCC1)C2 ZINC001201410848 1102594361 /nfs/dbraw/zinc/59/43/61/1102594361.db2.gz MSZDAOSGUOSEIH-HOJAQTOUSA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001201410848 1102594369 /nfs/dbraw/zinc/59/43/69/1102594369.db2.gz MSZDAOSGUOSEIH-HOJAQTOUSA-N 2 1 318.505 3.023 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201410848 1102594379 /nfs/dbraw/zinc/59/43/79/1102594379.db2.gz MSZDAOSGUOSEIH-HOJAQTOUSA-N 2 1 318.505 3.023 20 0 DGADMP CC(C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201470346 1102594548 /nfs/dbraw/zinc/59/45/48/1102594548.db2.gz GUMPNSHUGQOXCQ-PMACEKPBSA-N 2 1 320.521 3.103 20 0 DGADMP CC(C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201470346 1102594559 /nfs/dbraw/zinc/59/45/59/1102594559.db2.gz GUMPNSHUGQOXCQ-PMACEKPBSA-N 2 1 320.521 3.103 20 0 DGADMP CC(C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201470346 1102594563 /nfs/dbraw/zinc/59/45/63/1102594563.db2.gz GUMPNSHUGQOXCQ-PMACEKPBSA-N 2 1 320.521 3.103 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001201528604 1102646763 /nfs/dbraw/zinc/64/67/63/1102646763.db2.gz UCOFGQHTRLZPBY-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001201528604 1102646769 /nfs/dbraw/zinc/64/67/69/1102646769.db2.gz UCOFGQHTRLZPBY-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(CCCc2ccccc2)CC1 ZINC001201674128 1102679357 /nfs/dbraw/zinc/67/93/57/1102679357.db2.gz WMKQTAYBPQXTEN-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201674128 1102679362 /nfs/dbraw/zinc/67/93/62/1102679362.db2.gz WMKQTAYBPQXTEN-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP CCCCCC[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001201747019 1102712981 /nfs/dbraw/zinc/71/29/81/1102712981.db2.gz RXEYSMIXXJSAAK-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC001201917826 1102759867 /nfs/dbraw/zinc/75/98/67/1102759867.db2.gz BDSFKBXAYLNVMT-INIZCTEOSA-N 2 1 320.502 3.213 20 0 DGADMP COc1cc(C)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(C)n1 ZINC001201962771 1102773398 /nfs/dbraw/zinc/77/33/98/1102773398.db2.gz ILOXFUDTPJGAMR-OAHLLOKOSA-N 2 1 305.466 3.061 20 0 DGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001202065075 1102809254 /nfs/dbraw/zinc/80/92/54/1102809254.db2.gz IFCQRBSWWPXNDP-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(CCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202319930 1102941057 /nfs/dbraw/zinc/94/10/57/1102941057.db2.gz WSHDIINWLMMUFH-IYBDPMFKSA-N 2 1 312.379 3.311 20 0 DGADMP C[NH+](C)CCOc1cccc(-c2ccc3c(c2)C[N@H+](C)CC3)c1 ZINC001243753487 1102960364 /nfs/dbraw/zinc/96/03/64/1102960364.db2.gz BCSFJKQGZNGOBN-UHFFFAOYSA-N 2 1 310.441 3.282 20 0 DGADMP Fc1ncc(C2CC2)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243860026 1103016750 /nfs/dbraw/zinc/01/67/50/1103016750.db2.gz HBHYQGPILNHJLL-UHFFFAOYSA-N 2 1 308.360 3.100 20 0 DGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018228 1103017143 /nfs/dbraw/zinc/01/71/43/1103017143.db2.gz NONJNAVDALGEEP-BDXSIMOUSA-N 2 1 323.525 3.019 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC001325743425 1103114251 /nfs/dbraw/zinc/11/42/51/1103114251.db2.gz NEYJRRIKYLXYKC-LLVKDONJSA-N 2 1 305.809 3.049 20 0 DGADMP CC(C)(C)c1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccn1 ZINC001244020187 1103141595 /nfs/dbraw/zinc/14/15/95/1103141595.db2.gz KIVZISUEIGYRCB-UHFFFAOYSA-N 2 1 306.413 3.381 20 0 DGADMP COc1cccc(C2CC2)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001244254619 1103314631 /nfs/dbraw/zinc/31/46/31/1103314631.db2.gz LLUFVCDDLGSUHC-UHFFFAOYSA-N 2 1 309.413 3.044 20 0 DGADMP CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001489231634 1103332215 /nfs/dbraw/zinc/33/22/15/1103332215.db2.gz BWTQTFOAXNLXHI-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccnc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC001276321089 1103489807 /nfs/dbraw/zinc/48/98/07/1103489807.db2.gz WOWLISLVRFCIBV-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP Cc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276321788 1103493538 /nfs/dbraw/zinc/49/35/38/1103493538.db2.gz RHKKDIIYYGDVOX-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276321788 1103493544 /nfs/dbraw/zinc/49/35/44/1103493544.db2.gz RHKKDIIYYGDVOX-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276321788 1103493547 /nfs/dbraw/zinc/49/35/47/1103493547.db2.gz RHKKDIIYYGDVOX-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276373730 1103696112 /nfs/dbraw/zinc/69/61/12/1103696112.db2.gz HWPXCEVSGXFOQN-PMACEKPBSA-N 2 1 315.505 3.020 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC001327723179 1103716356 /nfs/dbraw/zinc/71/63/56/1103716356.db2.gz UAFAYGRFZZCROR-KGLIPLIRSA-N 2 1 318.440 3.168 20 0 DGADMP Fc1cc(Cl)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC001245019670 1103805779 /nfs/dbraw/zinc/80/57/79/1103805779.db2.gz UNLCXAUECQCZDJ-UHFFFAOYSA-N 2 1 309.747 3.090 20 0 DGADMP CCOc1cc(C)c(C)cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001245025725 1103808570 /nfs/dbraw/zinc/80/85/70/1103808570.db2.gz BHLLMYSQOLBXLS-UHFFFAOYSA-N 2 1 311.429 3.174 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4F)C[C@@H]2C1 ZINC001137060679 1103944677 /nfs/dbraw/zinc/94/46/77/1103944677.db2.gz ZZVPTIUUFCQAKM-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4F)C[C@@H]2C1 ZINC001137060679 1103944683 /nfs/dbraw/zinc/94/46/83/1103944683.db2.gz ZZVPTIUUFCQAKM-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4F)C[C@@H]2C1 ZINC001137060679 1103944689 /nfs/dbraw/zinc/94/46/89/1103944689.db2.gz ZZVPTIUUFCQAKM-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4F)C[C@@H]2C1 ZINC001137060679 1103944698 /nfs/dbraw/zinc/94/46/98/1103944698.db2.gz ZZVPTIUUFCQAKM-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP Cn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(Cl)n1 ZINC001328506760 1103971643 /nfs/dbraw/zinc/97/16/43/1103971643.db2.gz ZOHVJIVJWUABAZ-UHFFFAOYSA-N 2 1 324.900 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2nccnc2c1 ZINC001137089817 1103972317 /nfs/dbraw/zinc/97/23/17/1103972317.db2.gz ACMLEXRXOHXMLC-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2nccnc2c1 ZINC001137089817 1103972325 /nfs/dbraw/zinc/97/23/25/1103972325.db2.gz ACMLEXRXOHXMLC-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC001137089817 1103972336 /nfs/dbraw/zinc/97/23/36/1103972336.db2.gz ACMLEXRXOHXMLC-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC001137102238 1103981854 /nfs/dbraw/zinc/98/18/54/1103981854.db2.gz MYKYZQDMIMQPNG-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP c1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC001137132327 1104002234 /nfs/dbraw/zinc/00/22/34/1104002234.db2.gz RUNYGGYBXRRQET-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP c1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC001137132327 1104002242 /nfs/dbraw/zinc/00/22/42/1104002242.db2.gz RUNYGGYBXRRQET-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205980917 1104145197 /nfs/dbraw/zinc/14/51/97/1104145197.db2.gz AMRYRFLTFLZEJD-GXTWGEPZSA-N 2 1 311.267 3.256 20 0 DGADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157181 1104173345 /nfs/dbraw/zinc/17/33/45/1104173345.db2.gz VMITUHZMHOBVCD-OKZBNKHCSA-N 2 1 319.468 3.033 20 0 DGADMP COc1ccc(Cl)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001245813994 1104249575 /nfs/dbraw/zinc/24/95/75/1104249575.db2.gz XACGNNFNJMSFOA-UHFFFAOYSA-N 2 1 313.788 3.350 20 0 DGADMP Cc1ccc(-c2ccc3c[nH+]cn3c2)c(C[NH+]2CCOCC2)c1 ZINC001245899926 1104296327 /nfs/dbraw/zinc/29/63/27/1104296327.db2.gz OIVYZCCYZOATBQ-UHFFFAOYSA-N 2 1 307.397 3.142 20 0 DGADMP CC(C)([NH3+])c1ccc(-c2ccc(CN3CCC([NH3+])CC3)cc2)cc1 ZINC001245909520 1104302284 /nfs/dbraw/zinc/30/22/84/1104302284.db2.gz RQMPKNNFVQOXLB-UHFFFAOYSA-N 2 1 323.484 3.471 20 0 DGADMP C[C@@](O)(C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)c1ccccc1 ZINC001246029700 1104355638 /nfs/dbraw/zinc/35/56/38/1104355638.db2.gz LTXURNNWDLAMIJ-WOJBJXKFSA-N 2 1 316.489 3.140 20 0 DGADMP CCCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246054248 1104358871 /nfs/dbraw/zinc/35/88/71/1104358871.db2.gz XWTQRBOREUAQCF-IBGZPJMESA-N 2 1 322.468 3.178 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](C[C@@H](O)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246055282 1104359376 /nfs/dbraw/zinc/35/93/76/1104359376.db2.gz NDFHFVRTOGTLEQ-GOSISDBHSA-N 2 1 322.468 3.095 20 0 DGADMP Cc1ccc(C[N@H+](C[C@@H](O)C(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001246054692 1104359821 /nfs/dbraw/zinc/35/98/21/1104359821.db2.gz IVUTUZXXUPDMKO-GOSISDBHSA-N 2 1 322.468 3.095 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H](O)C(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001246054692 1104359830 /nfs/dbraw/zinc/35/98/30/1104359830.db2.gz IVUTUZXXUPDMKO-GOSISDBHSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001246070298 1104365292 /nfs/dbraw/zinc/36/52/92/1104365292.db2.gz MQYGHSGNAIGAKU-AEFFLSMTSA-N 2 1 324.896 3.083 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001246070298 1104365304 /nfs/dbraw/zinc/36/53/04/1104365304.db2.gz MQYGHSGNAIGAKU-AEFFLSMTSA-N 2 1 324.896 3.083 20 0 DGADMP CC[C@H]1CC([NH2+]Cc2cc(OC)ccc2OC)C[C@H](CC)[NH2+]1 ZINC001246073527 1104366125 /nfs/dbraw/zinc/36/61/25/1104366125.db2.gz FWGUYGWENVGVPL-GJZGRUSLSA-N 2 1 306.450 3.103 20 0 DGADMP Fc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246074465 1104368320 /nfs/dbraw/zinc/36/83/20/1104368320.db2.gz PPTPANBJFHMAQY-MOPGFXCFSA-N 2 1 316.395 3.418 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC001246075144 1104369560 /nfs/dbraw/zinc/36/95/60/1104369560.db2.gz HQQQBHKLNUQROP-WMWLNJEOSA-N 2 1 307.441 3.352 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccccc2OC(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246080127 1104373637 /nfs/dbraw/zinc/37/36/37/1104373637.db2.gz MVIHRSHDASDIDH-QWRGUYRKSA-N 2 1 302.340 3.204 20 0 DGADMP CC[C@H]1CC([NH2+][C@@H](CC(=O)OC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246082022 1104376216 /nfs/dbraw/zinc/37/62/16/1104376216.db2.gz UXMSFQOHRCIFLI-BQFCYCMXSA-N 2 1 318.461 3.190 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)C[NH2+]1 ZINC001246084712 1104377977 /nfs/dbraw/zinc/37/79/77/1104377977.db2.gz MBSLIUXETFZLFQ-UVBJJODRSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246092569 1104379913 /nfs/dbraw/zinc/37/99/13/1104379913.db2.gz DPONJRFUOHKGAN-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097524 1104384444 /nfs/dbraw/zinc/38/44/44/1104384444.db2.gz ORDQUQYBUZRKQR-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097524 1104384456 /nfs/dbraw/zinc/38/44/56/1104384456.db2.gz ORDQUQYBUZRKQR-YZGWKJHDSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246097524 1104384468 /nfs/dbraw/zinc/38/44/68/1104384468.db2.gz ORDQUQYBUZRKQR-YZGWKJHDSA-N 3 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@@H](N[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246101251 1104387084 /nfs/dbraw/zinc/38/70/84/1104387084.db2.gz IQMOPEBOPWXNIW-GBESFXJTSA-N 2 1 315.505 3.289 20 0 DGADMP F[C@@]1(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107242 1104388719 /nfs/dbraw/zinc/38/87/19/1104388719.db2.gz FQQUANAQNMVCOS-PBHICJAKSA-N 2 1 310.844 3.269 20 0 DGADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246151525 1104406951 /nfs/dbraw/zinc/40/69/51/1104406951.db2.gz FVJQXYYQPJZZLD-QGZVFWFLSA-N 2 1 316.445 3.018 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246155435 1104410474 /nfs/dbraw/zinc/41/04/74/1104410474.db2.gz YCHDJGPBXCVWEB-XFWGSAIBSA-N 2 1 310.441 3.191 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246160646 1104411323 /nfs/dbraw/zinc/41/13/23/1104411323.db2.gz VGMJICREYHMSHE-NEPJUHHUSA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246168741 1104415893 /nfs/dbraw/zinc/41/58/93/1104415893.db2.gz GOPIVWGVVLGOHU-XDNAFOTISA-N 2 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246168741 1104415898 /nfs/dbraw/zinc/41/58/98/1104415898.db2.gz GOPIVWGVVLGOHU-XDNAFOTISA-N 3 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246168741 1104415900 /nfs/dbraw/zinc/41/59/00/1104415900.db2.gz GOPIVWGVVLGOHU-XDNAFOTISA-N 3 1 309.542 3.111 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC001246172862 1104421002 /nfs/dbraw/zinc/42/10/02/1104421002.db2.gz DKBVDMMIFRRMOI-RHSMWYFYSA-N 2 1 309.885 3.065 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001246172859 1104421264 /nfs/dbraw/zinc/42/12/64/1104421264.db2.gz DKBVDMMIFRRMOI-PBHICJAKSA-N 2 1 309.885 3.065 20 0 DGADMP CC(C)C[C@H]([NH2+]C1CCC2(CC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246176804 1104422733 /nfs/dbraw/zinc/42/27/33/1104422733.db2.gz BGADHULKMWXNIL-WUJZJPHMSA-N 2 1 324.509 3.255 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N2CCCCCC2)CC[NH2+]1 ZINC001246178982 1104424694 /nfs/dbraw/zinc/42/46/94/1104424694.db2.gz BWJAJCVRMBVUSV-FUHWJXTLSA-N 2 1 301.478 3.297 20 0 DGADMP CC1(C)C[C@H](N[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246187338 1104427903 /nfs/dbraw/zinc/42/79/03/1104427903.db2.gz GRIHCJUCTYYXHC-QUCCMNQESA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001246190505 1104430265 /nfs/dbraw/zinc/43/02/65/1104430265.db2.gz NYFNZRKNEIYKFX-QRVBRYPASA-N 2 1 303.494 3.190 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191093 1104430614 /nfs/dbraw/zinc/43/06/14/1104430614.db2.gz TYBNNHWCXXIZIS-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP CC1(C)C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196594 1104434359 /nfs/dbraw/zinc/43/43/59/1104434359.db2.gz HBLLGSYZUMVGLB-OALUTQOASA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC001246196594 1104434360 /nfs/dbraw/zinc/43/43/60/1104434360.db2.gz HBLLGSYZUMVGLB-OALUTQOASA-N 3 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246196594 1104434365 /nfs/dbraw/zinc/43/43/65/1104434365.db2.gz HBLLGSYZUMVGLB-OALUTQOASA-N 3 1 315.505 3.019 20 0 DGADMP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC001246199429 1104434381 /nfs/dbraw/zinc/43/43/81/1104434381.db2.gz JUJLCRBKIFRJNR-SJJHQCBESA-N 2 1 324.509 3.112 20 0 DGADMP CC(C)[C@H]1C[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246203606 1104435938 /nfs/dbraw/zinc/43/59/38/1104435938.db2.gz WOFJNYSGZSLRJJ-HSALFYBXSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246203606 1104435942 /nfs/dbraw/zinc/43/59/42/1104435942.db2.gz WOFJNYSGZSLRJJ-HSALFYBXSA-N 2 1 315.505 3.017 20 0 DGADMP CN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955858 1104438269 /nfs/dbraw/zinc/43/82/69/1104438269.db2.gz CTJRZSBZMZYXSW-CEXWTWQISA-N 2 1 319.468 3.035 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC001246219245 1104441939 /nfs/dbraw/zinc/44/19/39/1104441939.db2.gz GPHISWBGJFWGRI-LLVKDONJSA-N 2 1 320.330 3.345 20 0 DGADMP Fc1cc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246221528 1104443572 /nfs/dbraw/zinc/44/35/72/1104443572.db2.gz DCOVKXIWQMGELC-FUNVUKJBSA-N 2 1 302.315 3.217 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246226396 1104446461 /nfs/dbraw/zinc/44/64/61/1104446461.db2.gz GENPQGHUIMHGQW-AAEUAGOBSA-N 2 1 302.796 3.105 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246232328 1104449052 /nfs/dbraw/zinc/44/90/52/1104449052.db2.gz QWSLMHJRRBYUSI-GHMZBOCLSA-N 2 1 320.786 3.245 20 0 DGADMP Cc1c(CC[NH2+][C@@H]2CC[NH2+]C2)c2ccccc2n1-c1ccccc1 ZINC001246246557 1104457082 /nfs/dbraw/zinc/45/70/82/1104457082.db2.gz VUJLTFBYDZLDFT-QGZVFWFLSA-N 2 1 319.452 3.433 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](NCC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245174 1104457380 /nfs/dbraw/zinc/45/73/80/1104457380.db2.gz NMIWDQZHDOBHNU-WOJBJXKFSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245174 1104457382 /nfs/dbraw/zinc/45/73/82/1104457382.db2.gz NMIWDQZHDOBHNU-WOJBJXKFSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245174 1104457388 /nfs/dbraw/zinc/45/73/88/1104457388.db2.gz NMIWDQZHDOBHNU-WOJBJXKFSA-N 3 1 315.505 3.163 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246262274 1104464469 /nfs/dbraw/zinc/46/44/69/1104464469.db2.gz AFAYVLDCHKJZDR-QFBILLFUSA-N 2 1 312.457 3.176 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]C1(C[NH3+])CCCC1)CC2 ZINC001246284556 1104473559 /nfs/dbraw/zinc/47/35/59/1104473559.db2.gz ANRDCDJUVJPNDM-LBPRGKRZSA-N 2 1 308.853 3.067 20 0 DGADMP CC1(C)C[C@H](NC2(C[NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001246288597 1104475481 /nfs/dbraw/zinc/47/54/81/1104475481.db2.gz QQQXBTRDCGKRBH-GOSISDBHSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246294813 1104476802 /nfs/dbraw/zinc/47/68/02/1104476802.db2.gz NDZNZCVBLAKAJC-RISCZKNCSA-N 2 1 309.251 3.168 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@]3(CCO)CC[NH2+]C3)CC2)CC1 ZINC001246295525 1104476836 /nfs/dbraw/zinc/47/68/36/1104476836.db2.gz OUFJUHGHTDFGEY-MQPDGSBLSA-N 2 1 322.537 3.466 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246298985 1104478737 /nfs/dbraw/zinc/47/87/37/1104478737.db2.gz GANNOJSQXQUXHL-LPHOPBHVSA-N 2 1 312.457 3.176 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)CC[NH2+]1 ZINC001246316019 1104485732 /nfs/dbraw/zinc/48/57/32/1104485732.db2.gz OCDRHUYZHZEWMS-IIDMSEBBSA-N 2 1 318.461 3.419 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246323973 1104489083 /nfs/dbraw/zinc/48/90/83/1104489083.db2.gz GNHJPPIAFVUSFB-BHIYHBOVSA-N 2 1 315.505 3.160 20 0 DGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246333141 1104496545 /nfs/dbraw/zinc/49/65/45/1104496545.db2.gz USWOQQBROLUPPN-KRWDZBQOSA-N 2 1 321.896 3.287 20 0 DGADMP c1cnc2cccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2c1 ZINC001330181496 1104500074 /nfs/dbraw/zinc/50/00/74/1104500074.db2.gz AJDITGYXERXGTQ-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246346279 1104500413 /nfs/dbraw/zinc/50/04/13/1104500413.db2.gz RHAOLWSWIHPGKH-ROUUACIJSA-N 2 1 317.521 3.393 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)C2 ZINC001246344807 1104501383 /nfs/dbraw/zinc/50/13/83/1104501383.db2.gz KZTHMZZTLXJFLW-YXAMBPQSSA-N 2 1 311.256 3.333 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3cc(F)ccc32)CC[NH2+]1 ZINC001246349007 1104501832 /nfs/dbraw/zinc/50/18/32/1104501832.db2.gz AJEGLEYMANEAHG-YSVLISHTSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246352614 1104503642 /nfs/dbraw/zinc/50/36/42/1104503642.db2.gz XTDLTROTQIOQTL-WMLDXEAASA-N 2 1 322.880 3.118 20 0 DGADMP CCCCCCOC(=O)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246352745 1104503661 /nfs/dbraw/zinc/50/36/61/1104503661.db2.gz SRUMTTHREOITCY-UHFFFAOYSA-N 2 1 310.482 3.012 20 0 DGADMP CC(C)(C)[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246360702 1104507343 /nfs/dbraw/zinc/50/73/43/1104507343.db2.gz ILAXXJYSUMPLRJ-FGTMMUONSA-N 2 1 307.526 3.007 20 0 DGADMP COc1ccc(C2([NH2+][C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246363458 1104510303 /nfs/dbraw/zinc/51/03/03/1104510303.db2.gz SJLPWCQYXMILDA-NVXWUHKLSA-N 2 1 302.462 3.441 20 0 DGADMP COc1cccc(C2([NH2+][C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c1 ZINC001246365436 1104511575 /nfs/dbraw/zinc/51/15/75/1104511575.db2.gz ZTMRSQWPKJCAOB-NVXWUHKLSA-N 2 1 302.462 3.441 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccn3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246366960 1104511774 /nfs/dbraw/zinc/51/17/74/1104511774.db2.gz LFXWTJDGWACRNM-GOEBONIOSA-N 2 1 323.431 3.302 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CN1 ZINC001246387535 1104521145 /nfs/dbraw/zinc/52/11/45/1104521145.db2.gz GUFGIFRBQYHEOR-WMLDXEAASA-N 2 1 322.880 3.118 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246387535 1104521152 /nfs/dbraw/zinc/52/11/52/1104521152.db2.gz GUFGIFRBQYHEOR-WMLDXEAASA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)C[NH2+]1 ZINC001246395405 1104523605 /nfs/dbraw/zinc/52/36/05/1104523605.db2.gz MBSLIUXETFZLFQ-RLCCDNCMSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC[NH2+]1 ZINC001246393888 1104524234 /nfs/dbraw/zinc/52/42/34/1104524234.db2.gz LGVQPKHKHUYCPH-RIEGTJTDSA-N 2 1 313.367 3.282 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cncc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC001246400193 1104527817 /nfs/dbraw/zinc/52/78/17/1104527817.db2.gz NBWWQJAGEYQFHR-VCTAVGKDSA-N 2 1 313.367 3.282 20 0 DGADMP Fc1ccc(CC2([NH2+][C@@H]3CC[NH2+]C3)CCC(F)(F)CC2)cc1 ZINC001246409422 1104530544 /nfs/dbraw/zinc/53/05/44/1104530544.db2.gz YRYAWXIQIMTFRN-OAHLLOKOSA-N 2 1 312.379 3.268 20 0 DGADMP C1=CO[C@@H](C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)CC1 ZINC001274898280 1104536859 /nfs/dbraw/zinc/53/68/59/1104536859.db2.gz ADHVKXDOZGZZQH-MOPGFXCFSA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@@H](C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001274898280 1104536864 /nfs/dbraw/zinc/53/68/64/1104536864.db2.gz ADHVKXDOZGZZQH-MOPGFXCFSA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@@H](C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001274898280 1104536867 /nfs/dbraw/zinc/53/68/67/1104536867.db2.gz ADHVKXDOZGZZQH-MOPGFXCFSA-N 2 1 304.478 3.410 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246433532 1104537939 /nfs/dbraw/zinc/53/79/39/1104537939.db2.gz LBKNHFAROQEVLT-BXUZGUMPSA-N 2 1 300.368 3.367 20 0 DGADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CC1(C)CCCCC1)C2 ZINC001274906302 1104538941 /nfs/dbraw/zinc/53/89/41/1104538941.db2.gz VLLWKLDCNMLUEH-HXUWFJFHSA-N 2 1 321.553 3.306 20 0 DGADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[C@H](C)NC1 ZINC001246441810 1104541610 /nfs/dbraw/zinc/54/16/10/1104541610.db2.gz JVWAHYMENKNNJF-LEAZDLGRSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[C@H](C)NC1 ZINC001246441810 1104541620 /nfs/dbraw/zinc/54/16/20/1104541620.db2.gz JVWAHYMENKNNJF-LEAZDLGRSA-N 2 1 315.505 3.207 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CC1 ZINC001246443004 1104542734 /nfs/dbraw/zinc/54/27/34/1104542734.db2.gz SBCVHVPSTKTGTD-QAQDUYKDSA-N 2 1 321.896 3.164 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246443004 1104542739 /nfs/dbraw/zinc/54/27/39/1104542739.db2.gz SBCVHVPSTKTGTD-QAQDUYKDSA-N 2 1 321.896 3.164 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CC1 ZINC001246443004 1104542743 /nfs/dbraw/zinc/54/27/43/1104542743.db2.gz SBCVHVPSTKTGTD-QAQDUYKDSA-N 2 1 321.896 3.164 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444641 1104542896 /nfs/dbraw/zinc/54/28/96/1104542896.db2.gz YMHBJALHJKYGSB-UDTPNQRGSA-N 2 1 319.468 3.038 20 0 DGADMP CC[C@@]1(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC001246454620 1104544214 /nfs/dbraw/zinc/54/42/14/1104544214.db2.gz DPIRLRRYGPXISX-PMACEKPBSA-N 2 1 315.505 3.163 20 0 DGADMP CC[C@@]1([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460756 1104547958 /nfs/dbraw/zinc/54/79/58/1104547958.db2.gz MYKPMOSRDNZXRU-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP CC[C@]1([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC[NH2+]C1 ZINC001246457902 1104548090 /nfs/dbraw/zinc/54/80/90/1104548090.db2.gz FPJDAUSEYBIXHR-HOTGVXAUSA-N 2 1 323.278 3.038 20 0 DGADMP CC[C@]1(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC001246466099 1104550277 /nfs/dbraw/zinc/55/02/77/1104550277.db2.gz VODHLPUJJPCABM-ICSRJNTNSA-N 2 1 315.505 3.161 20 0 DGADMP CC(C)[NH2+]CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246467792 1104550862 /nfs/dbraw/zinc/55/08/62/1104550862.db2.gz ZSPBXTAJLVEIGP-ACDBMABISA-N 2 1 315.505 3.160 20 0 DGADMP CC(C)[NH2+]CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246467793 1104550940 /nfs/dbraw/zinc/55/09/40/1104550940.db2.gz ZSPBXTAJLVEIGP-OWZKRDHZSA-N 2 1 315.505 3.160 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCc4ccccc4O3)CC[NH2+]2)cc1 ZINC001246469642 1104552786 /nfs/dbraw/zinc/55/27/86/1104552786.db2.gz FCRUCKDTYWXGKJ-AQNXPRMDSA-N 2 1 322.452 3.463 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@H]3CCc4ccccc4O3)CC[NH2+]2)cc1 ZINC001246469645 1104553282 /nfs/dbraw/zinc/55/32/82/1104553282.db2.gz FCRUCKDTYWXGKJ-XUVXKRRUSA-N 2 1 322.452 3.463 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)NCC4)CC[NH2+]2)cc1 ZINC001246474447 1104557656 /nfs/dbraw/zinc/55/76/56/1104557656.db2.gz PIMKBMPFAGWFBZ-ICSRJNTNSA-N 2 1 307.441 3.238 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCN4)CC[NH2+]2)cc1 ZINC001246475734 1104557728 /nfs/dbraw/zinc/55/77/28/1104557728.db2.gz VSVVIGHQXLMLAE-AZUAARDMSA-N 2 1 307.441 3.238 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246475518 1104557839 /nfs/dbraw/zinc/55/78/39/1104557839.db2.gz UFEBBGSRFLZUIF-HLIPFELVSA-N 2 1 307.441 3.279 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246475521 1104557875 /nfs/dbraw/zinc/55/78/75/1104557875.db2.gz UFEBBGSRFLZUIF-ZWOKBUDYSA-N 2 1 307.441 3.279 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCCCC2)C[NH2+]1 ZINC001246476549 1104558627 /nfs/dbraw/zinc/55/86/27/1104558627.db2.gz XMQUCCQRXWSUAV-GJZGRUSLSA-N 2 1 310.482 3.009 20 0 DGADMP [NH3+][C@H](CCCC[NH2+]C1CCCCC1)C(=O)OCc1ccccc1 ZINC001246489929 1104563462 /nfs/dbraw/zinc/56/34/62/1104563462.db2.gz ZRXFKRRGDHULKE-GOSISDBHSA-N 2 1 318.461 3.150 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@H]1C[C@@H]3C[NH2+][C@H]1C3)C2 ZINC001246494359 1104564973 /nfs/dbraw/zinc/56/49/73/1104564973.db2.gz KJHHAMWVKHMETE-JGXBHBFRSA-N 2 1 311.256 3.191 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C2CCC(C(F)(F)F)CC2)CCC1(F)F ZINC001246558046 1104595657 /nfs/dbraw/zinc/59/56/57/1104595657.db2.gz KNSRTGFDHBCPAI-HSOILSAZSA-N 2 1 300.315 3.023 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246502279 1104568899 /nfs/dbraw/zinc/56/88/99/1104568899.db2.gz GVKOJIYTVOUXOE-SUJFGCQRSA-N 2 1 314.807 3.137 20 0 DGADMP CCc1ccc(C[C@H](C)N[C@@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509903 1104569659 /nfs/dbraw/zinc/56/96/59/1104569659.db2.gz KKPFNRSLSLTGGZ-YWZLYKJASA-N 2 1 312.457 3.478 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246507850 1104569692 /nfs/dbraw/zinc/56/96/92/1104569692.db2.gz ZQLLPCAAQXDIBD-OALUTQOASA-N 2 1 303.494 3.004 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)CCC1(F)F ZINC001246558046 1104595661 /nfs/dbraw/zinc/59/56/61/1104595661.db2.gz KNSRTGFDHBCPAI-HSOILSAZSA-N 2 1 300.315 3.023 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246507522 1104570051 /nfs/dbraw/zinc/57/00/51/1104570051.db2.gz YJLGKDVAGRVCOY-JSGCOSHPSA-N 2 1 318.383 3.479 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CNc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246506374 1104570731 /nfs/dbraw/zinc/57/07/31/1104570731.db2.gz SMZHCKRXAHPMQY-WSTZPKSXSA-N 2 1 307.441 3.106 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c1 ZINC001246521706 1104575687 /nfs/dbraw/zinc/57/56/87/1104575687.db2.gz PYNYIZYBLOWSMH-OALUTQOASA-N 2 1 315.505 3.202 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246524908 1104577044 /nfs/dbraw/zinc/57/70/44/1104577044.db2.gz UXJXLTRBCFOHJP-INIZCTEOSA-N 2 1 302.437 3.149 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246523119 1104577399 /nfs/dbraw/zinc/57/73/99/1104577399.db2.gz MRBVTUVAGKMRKZ-INIZCTEOSA-N 2 1 320.427 3.288 20 0 DGADMP C[C@@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001246532853 1104579755 /nfs/dbraw/zinc/57/97/55/1104579755.db2.gz KYOXQBFZVPVMRX-FJIDUMEYSA-N 2 1 315.505 3.110 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246529412 1104579888 /nfs/dbraw/zinc/57/98/88/1104579888.db2.gz KWIOVCKEZNYWHC-OALUTQOASA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H]1CC(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246532857 1104580322 /nfs/dbraw/zinc/58/03/22/1104580322.db2.gz KYOXQBFZVPVMRX-TVFCKZIOSA-N 2 1 315.505 3.110 20 0 DGADMP CCC[N@H+](CCOC)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246530113 1104580348 /nfs/dbraw/zinc/58/03/48/1104580348.db2.gz OIKVJPUTPJEYRQ-FUHWJXTLSA-N 2 1 308.441 3.286 20 0 DGADMP CCC[N@@H+](CCOC)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246530113 1104580353 /nfs/dbraw/zinc/58/03/53/1104580353.db2.gz OIKVJPUTPJEYRQ-FUHWJXTLSA-N 2 1 308.441 3.286 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549899 1104590846 /nfs/dbraw/zinc/59/08/46/1104590846.db2.gz ICRZIMZBNYEYQS-QZTJIDSGSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549899 1104590850 /nfs/dbraw/zinc/59/08/50/1104590850.db2.gz ICRZIMZBNYEYQS-QZTJIDSGSA-N 2 1 302.462 3.364 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001246549310 1104591204 /nfs/dbraw/zinc/59/12/04/1104591204.db2.gz WQFONLQXHMFLHL-OAHLLOKOSA-N 2 1 307.869 3.122 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@H]1C[NH3+] ZINC001246550155 1104591251 /nfs/dbraw/zinc/59/12/51/1104591251.db2.gz IWDLYSLWVVUPAA-LSDHHAIUSA-N 2 1 321.896 3.226 20 0 DGADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@](C)([NH3+])CC3)CCO2)cc1 ZINC001246552045 1104591747 /nfs/dbraw/zinc/59/17/47/1104591747.db2.gz NNVZJGSSFXZVBC-YTQUADARSA-N 2 1 318.461 3.119 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246555075 1104592822 /nfs/dbraw/zinc/59/28/22/1104592822.db2.gz BLNYHRLTZLKYPE-KGLIPLIRSA-N 2 1 314.445 3.392 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246555075 1104592829 /nfs/dbraw/zinc/59/28/29/1104592829.db2.gz BLNYHRLTZLKYPE-KGLIPLIRSA-N 2 1 314.445 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CCC1(F)F ZINC001246554856 1104593254 /nfs/dbraw/zinc/59/32/54/1104593254.db2.gz DZSVMDTYGHBOCQ-ZFWWWQNUSA-N 2 1 314.807 3.113 20 0 DGADMP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001275051227 1104594157 /nfs/dbraw/zinc/59/41/57/1104594157.db2.gz RXXQNVSHJFVQAD-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001275051227 1104594161 /nfs/dbraw/zinc/59/41/61/1104594161.db2.gz RXXQNVSHJFVQAD-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](CC(C)C)CC3)C2)n(C)n1 ZINC001275055612 1104594633 /nfs/dbraw/zinc/59/46/33/1104594633.db2.gz CSLGKQDMUMWSRT-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2CC1 ZINC001275054594 1104594928 /nfs/dbraw/zinc/59/49/28/1104594928.db2.gz ASFRIIQKLIFHBL-IYBDPMFKSA-N 2 1 307.507 3.251 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CC(C)C)C[C@H]2CC1 ZINC001275054594 1104594932 /nfs/dbraw/zinc/59/49/32/1104594932.db2.gz ASFRIIQKLIFHBL-IYBDPMFKSA-N 2 1 307.507 3.251 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](CC(C)C)C[C@H]2CC1 ZINC001275054594 1104594937 /nfs/dbraw/zinc/59/49/37/1104594937.db2.gz ASFRIIQKLIFHBL-IYBDPMFKSA-N 2 1 307.507 3.251 20 0 DGADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001275054705 1104595141 /nfs/dbraw/zinc/59/51/41/1104595141.db2.gz GKBMETACUVEWHP-UHFFFAOYSA-N 2 1 307.507 3.395 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558029 1104595391 /nfs/dbraw/zinc/59/53/91/1104595391.db2.gz NUISUVHQVGBGHI-CHWSQXEVSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558029 1104595396 /nfs/dbraw/zinc/59/53/96/1104595396.db2.gz NUISUVHQVGBGHI-CHWSQXEVSA-N 2 1 314.807 3.113 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CCC[C@H]1C[NH3+] ZINC001246566614 1104597943 /nfs/dbraw/zinc/59/79/43/1104597943.db2.gz JGICTNMOSAYWSO-IVMMDQJWSA-N 2 1 308.416 3.129 20 0 DGADMP COC1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCC1 ZINC001330626098 1104598619 /nfs/dbraw/zinc/59/86/19/1104598619.db2.gz XCQYQUCQVHPSHL-INIZCTEOSA-N 2 1 302.462 3.371 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275066220 1104603474 /nfs/dbraw/zinc/60/34/74/1104603474.db2.gz SWHOYDSBNSRHKD-GOSISDBHSA-N 2 1 318.509 3.107 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246581318 1104603593 /nfs/dbraw/zinc/60/35/93/1104603593.db2.gz YVUXDFWWGLKEBF-QAPCUYQASA-N 2 1 308.416 3.273 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001275066564 1104605448 /nfs/dbraw/zinc/60/54/48/1104605448.db2.gz YILNUERPUIUYQZ-INIZCTEOSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@@H]1CC([N@@H+](C)Cc2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC001246586727 1104606363 /nfs/dbraw/zinc/60/63/63/1104606363.db2.gz NSHDQPRXRXQUTM-VXGBXAGGSA-N 2 1 311.267 3.410 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246589393 1104607959 /nfs/dbraw/zinc/60/79/59/1104607959.db2.gz DDWDPHMRGWTUII-FRQCXROJSA-N 2 1 324.509 3.208 20 0 DGADMP CCC(CC)C[NH+]1CCC2(C[NH+](Cc3cc(C)nn3C)C2)CC1 ZINC001275073590 1104608917 /nfs/dbraw/zinc/60/89/17/1104608917.db2.gz XINKGMZYNZQWDN-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275075153 1104609749 /nfs/dbraw/zinc/60/97/49/1104609749.db2.gz ZOQMLMGRZICGFU-MRXNPFEDSA-N 2 1 304.482 3.134 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275074660 1104610378 /nfs/dbraw/zinc/61/03/78/1104610378.db2.gz UOCQRLVPPNFPMR-GOSISDBHSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)[N@@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC001246594277 1104612920 /nfs/dbraw/zinc/61/29/20/1104612920.db2.gz PKUQYVPCDASHFW-LMDPOFIKSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@@H]1CC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)C[C@@H](C)[NH2+]1 ZINC001246593603 1104613040 /nfs/dbraw/zinc/61/30/40/1104613040.db2.gz HKBNHMDCTANBFR-IAGOWNOFSA-N 3 1 307.526 3.151 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275077055 1104613302 /nfs/dbraw/zinc/61/33/02/1104613302.db2.gz LUGVMYHGNCBPCV-GOSISDBHSA-N 2 1 309.542 3.162 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001246597600 1104614162 /nfs/dbraw/zinc/61/41/62/1104614162.db2.gz XRTBLXMVQLUJDP-MAUKXSAKSA-N 2 1 308.416 3.273 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599069 1104616775 /nfs/dbraw/zinc/61/67/75/1104616775.db2.gz AHZHCGIZNCQHBN-GUYCJALGSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599069 1104616780 /nfs/dbraw/zinc/61/67/80/1104616780.db2.gz AHZHCGIZNCQHBN-GUYCJALGSA-N 2 1 310.844 3.486 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246601993 1104618914 /nfs/dbraw/zinc/61/89/14/1104618914.db2.gz AUTUFHXHMPAKMR-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CC2 ZINC001246606839 1104621744 /nfs/dbraw/zinc/62/17/44/1104621744.db2.gz CCURVSXYNACNOV-MRXNPFEDSA-N 2 1 320.427 3.430 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246607838 1104624186 /nfs/dbraw/zinc/62/41/86/1104624186.db2.gz FYCQYMRLBBEVGT-RBUKOAKNSA-N 2 1 302.437 3.149 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246610926 1104626729 /nfs/dbraw/zinc/62/67/29/1104626729.db2.gz SMCFRCCMXBOSTH-YOEHRIQHSA-N 2 1 308.466 3.382 20 0 DGADMP Fc1ccc(N2CCC([N@H+]3CCC[C@]34CCC[NH2+]C4)CC2)cc1 ZINC001246611972 1104626980 /nfs/dbraw/zinc/62/69/80/1104626980.db2.gz VHVSWDGRXRUWIW-IBGZPJMESA-N 2 1 317.452 3.013 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[NH+]3CC4(C3)CC[NH2+]C4)ccc2c1 ZINC001246612313 1104628791 /nfs/dbraw/zinc/62/87/91/1104628791.db2.gz IMLHNTVHCMYJLR-MRXNPFEDSA-N 2 1 324.468 3.465 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246616521 1104629502 /nfs/dbraw/zinc/62/95/02/1104629502.db2.gz AZDDFEMTBJDJAM-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246616521 1104629507 /nfs/dbraw/zinc/62/95/07/1104629507.db2.gz AZDDFEMTBJDJAM-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615745 1104629835 /nfs/dbraw/zinc/62/98/35/1104629835.db2.gz SISSOTNWTGTSNI-RTBURBONSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615745 1104629839 /nfs/dbraw/zinc/62/98/39/1104629839.db2.gz SISSOTNWTGTSNI-RTBURBONSA-N 2 1 302.437 3.291 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246616524 1104630170 /nfs/dbraw/zinc/63/01/70/1104630170.db2.gz AZDDFEMTBJDJAM-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246616524 1104630173 /nfs/dbraw/zinc/63/01/73/1104630173.db2.gz AZDDFEMTBJDJAM-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP CSCCC[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001275109825 1104630818 /nfs/dbraw/zinc/63/08/18/1104630818.db2.gz QHJRGXRBGWCGAC-UHFFFAOYSA-N 2 1 304.503 3.219 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246623433 1104633401 /nfs/dbraw/zinc/63/34/01/1104633401.db2.gz SYENEAQLSGOVKX-WOJBJXKFSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246623433 1104633404 /nfs/dbraw/zinc/63/34/04/1104633404.db2.gz SYENEAQLSGOVKX-WOJBJXKFSA-N 2 1 316.489 3.242 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246628691 1104634788 /nfs/dbraw/zinc/63/47/88/1104634788.db2.gz CDTILODTUJJOCI-MSOLQXFVSA-N 2 1 304.865 3.415 20 0 DGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246627221 1104634944 /nfs/dbraw/zinc/63/49/44/1104634944.db2.gz VOUICYBCHXUJAI-LNLFQRSKSA-N 2 1 316.489 3.269 20 0 DGADMP CCCCC[N@H+]1CCC[C@]2(CCN(Cc3cc(C)nn3C)C2)C1 ZINC001275120023 1104635215 /nfs/dbraw/zinc/63/52/15/1104635215.db2.gz AVOBKXFGWPGIHL-IBGZPJMESA-N 2 1 318.509 3.207 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246628760 1104636332 /nfs/dbraw/zinc/63/63/32/1104636332.db2.gz DKTHTXHCLQOMGZ-AWEZNQCLSA-N 2 1 308.491 3.365 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246630544 1104637306 /nfs/dbraw/zinc/63/73/06/1104637306.db2.gz PGEFNCBSAFKXIB-YJBOKZPZSA-N 2 1 304.865 3.273 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]21 ZINC001246629812 1104637316 /nfs/dbraw/zinc/63/73/16/1104637316.db2.gz KFAHXROYICSQLH-BQFCYCMXSA-N 2 1 311.473 3.050 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246633563 1104638331 /nfs/dbraw/zinc/63/83/31/1104638331.db2.gz LHTMMXYZFJFKKV-RTBURBONSA-N 2 1 302.437 3.291 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246632457 1104638699 /nfs/dbraw/zinc/63/86/99/1104638699.db2.gz VJZXZKQZUZBHHW-MSOLQXFVSA-N 2 1 304.865 3.273 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246643332 1104642316 /nfs/dbraw/zinc/64/23/16/1104642316.db2.gz YIWSPFZBNGCEDF-PMACEKPBSA-N 2 1 316.489 3.100 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646312 1104643942 /nfs/dbraw/zinc/64/39/42/1104643942.db2.gz YIQFPNFDUVKIMM-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646312 1104643945 /nfs/dbraw/zinc/64/39/45/1104643945.db2.gz YIQFPNFDUVKIMM-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645520 1104644028 /nfs/dbraw/zinc/64/40/28/1104644028.db2.gz BYNAYZMZFDPYJO-YUTCNCBUSA-N 2 1 313.272 3.466 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645520 1104644032 /nfs/dbraw/zinc/64/40/32/1104644032.db2.gz BYNAYZMZFDPYJO-YUTCNCBUSA-N 2 1 313.272 3.466 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC001246646849 1104644199 /nfs/dbraw/zinc/64/41/99/1104644199.db2.gz OOXYVENGMBKLJH-MFMILTCTSA-N 2 1 324.468 3.463 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC001246646849 1104644203 /nfs/dbraw/zinc/64/42/03/1104644203.db2.gz OOXYVENGMBKLJH-MFMILTCTSA-N 2 1 324.468 3.463 20 0 DGADMP Fc1ccc(N2CCC([N@@H+]3CCCC[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246648981 1104645288 /nfs/dbraw/zinc/64/52/88/1104645288.db2.gz NVNMCUUYBDCCNO-LJQANCHMSA-N 2 1 317.452 3.013 20 0 DGADMP Fc1ccc(N2CCC([N@H+]3CCCC[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246648981 1104645294 /nfs/dbraw/zinc/64/52/94/1104645294.db2.gz NVNMCUUYBDCCNO-LJQANCHMSA-N 2 1 317.452 3.013 20 0 DGADMP CCCCCC[C@H](CCC)[N@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001246654690 1104649786 /nfs/dbraw/zinc/64/97/86/1104649786.db2.gz WPLNHPAFWJKAGC-HKUYNNGSSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@H](CCC)[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246654690 1104649789 /nfs/dbraw/zinc/64/97/89/1104649789.db2.gz WPLNHPAFWJKAGC-HKUYNNGSSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@H](CCC)[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246654690 1104649795 /nfs/dbraw/zinc/64/97/95/1104649795.db2.gz WPLNHPAFWJKAGC-HKUYNNGSSA-N 2 1 323.525 3.070 20 0 DGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246657380 1104651156 /nfs/dbraw/zinc/65/11/56/1104651156.db2.gz HUUSNQGTPCRNQH-GXCBOPRBSA-N 2 1 311.256 3.272 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N3CCC([C@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656162 1104651383 /nfs/dbraw/zinc/65/13/83/1104651383.db2.gz MNLOAGHEUWXBRO-VQTJNVASSA-N 2 1 319.537 3.248 20 0 DGADMP C1CCC(N2CCC[C@H]([NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656162 1104651388 /nfs/dbraw/zinc/65/13/88/1104651388.db2.gz MNLOAGHEUWXBRO-VQTJNVASSA-N 2 1 319.537 3.248 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246656223 1104651452 /nfs/dbraw/zinc/65/14/52/1104651452.db2.gz CCXHBBYJQWCEOA-YLJXDBKYSA-N 2 1 310.485 3.497 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246656223 1104651457 /nfs/dbraw/zinc/65/14/57/1104651457.db2.gz CCXHBBYJQWCEOA-YLJXDBKYSA-N 2 1 310.485 3.497 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246670458 1104655806 /nfs/dbraw/zinc/65/58/06/1104655806.db2.gz CXPZKFNBMVYNTO-YFVAEKQCSA-N 2 1 324.468 3.464 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246670458 1104655808 /nfs/dbraw/zinc/65/58/08/1104655808.db2.gz CXPZKFNBMVYNTO-YFVAEKQCSA-N 2 1 324.468 3.464 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC001246676545 1104656993 /nfs/dbraw/zinc/65/69/93/1104656993.db2.gz CCEABZCURNXZKT-KZNAEPCWSA-N 2 1 316.464 3.395 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673346 1104657012 /nfs/dbraw/zinc/65/70/12/1104657012.db2.gz LVMNOUBSENDXFM-NSISKUIASA-N 2 1 310.441 3.432 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673346 1104657020 /nfs/dbraw/zinc/65/70/20/1104657020.db2.gz LVMNOUBSENDXFM-NSISKUIASA-N 2 1 310.441 3.432 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001246674925 1104657264 /nfs/dbraw/zinc/65/72/64/1104657264.db2.gz OYVFROVJYSUMSD-PAXLWEDBSA-N 2 1 324.468 3.463 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246678101 1104658807 /nfs/dbraw/zinc/65/88/07/1104658807.db2.gz NANXOIZVXGYIBL-BRWVUGGUSA-N 2 1 302.437 3.005 20 0 DGADMP CCSC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246684629 1104659746 /nfs/dbraw/zinc/65/97/46/1104659746.db2.gz MOLGVJBGNLYREQ-QXAKKESOSA-N 2 1 318.530 3.381 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246680964 1104660179 /nfs/dbraw/zinc/66/01/79/1104660179.db2.gz YHOZDCMOQCMUCD-CHWSQXEVSA-N 2 1 310.894 3.362 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246679587 1104660469 /nfs/dbraw/zinc/66/04/69/1104660469.db2.gz WCEMBKQQMBHWMH-FKSLSLAPSA-N 3 1 307.526 3.007 20 0 DGADMP CN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246682446 1104660637 /nfs/dbraw/zinc/66/06/37/1104660637.db2.gz NERDCFUXMFCUBX-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001246691708 1104662312 /nfs/dbraw/zinc/66/23/12/1104662312.db2.gz MBRYVTWXNIQVEA-ZTFGCOKTSA-N 2 1 322.855 3.221 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001275168299 1104663282 /nfs/dbraw/zinc/66/32/82/1104663282.db2.gz KAIZJAMGFGSEQX-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001275168299 1104663288 /nfs/dbraw/zinc/66/32/88/1104663288.db2.gz KAIZJAMGFGSEQX-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001246712764 1104665814 /nfs/dbraw/zinc/66/58/14/1104665814.db2.gz BVTFBIJINRNDJZ-YTQUADARSA-N 2 1 302.462 3.023 20 0 DGADMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246770991 1104667023 /nfs/dbraw/zinc/66/70/23/1104667023.db2.gz URDYOHGXNILVJF-UXHICEINSA-N 2 1 324.468 3.490 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001246767505 1104667739 /nfs/dbraw/zinc/66/77/39/1104667739.db2.gz RJLGMKUTVIWNGQ-QRFRQXIXSA-N 2 1 315.505 3.319 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246779799 1104670883 /nfs/dbraw/zinc/67/08/83/1104670883.db2.gz JDTUBCSWDMQGSF-LJQANCHMSA-N 3 1 321.553 3.494 20 0 DGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1OC ZINC001246783640 1104672096 /nfs/dbraw/zinc/67/20/96/1104672096.db2.gz CMPAHDRBDVAJPF-CRAIPNDOSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1OC ZINC001246783640 1104672100 /nfs/dbraw/zinc/67/21/00/1104672100.db2.gz CMPAHDRBDVAJPF-CRAIPNDOSA-N 2 1 320.477 3.302 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246783523 1104672369 /nfs/dbraw/zinc/67/23/69/1104672369.db2.gz ZYEZVFOMJQNGKW-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246782614 1104672438 /nfs/dbraw/zinc/67/24/38/1104672438.db2.gz RACGBGJTPSTOHZ-ROUUACIJSA-N 2 1 314.473 3.370 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785670 1104673733 /nfs/dbraw/zinc/67/37/33/1104673733.db2.gz KWHDTFUBZMXFLL-OTWHNJEPSA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785670 1104673737 /nfs/dbraw/zinc/67/37/37/1104673737.db2.gz KWHDTFUBZMXFLL-OTWHNJEPSA-N 3 1 321.553 3.494 20 0 DGADMP COCC[N@H+](C(C)C)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785834 1104673979 /nfs/dbraw/zinc/67/39/79/1104673979.db2.gz LITLNGRSKMMXTQ-WMZOPIPTSA-N 2 1 308.441 3.284 20 0 DGADMP COCC[N@@H+](C(C)C)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785834 1104673981 /nfs/dbraw/zinc/67/39/81/1104673981.db2.gz LITLNGRSKMMXTQ-WMZOPIPTSA-N 2 1 308.441 3.284 20 0 DGADMP Clc1ccc(CO[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246787705 1104674712 /nfs/dbraw/zinc/67/47/12/1104674712.db2.gz LRRIXMIABIXIDW-QZTJIDSGSA-N 2 1 322.880 3.463 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246787976 1104675217 /nfs/dbraw/zinc/67/52/17/1104675217.db2.gz SPUYXXWCIWHURV-OTWHNJEPSA-N 2 1 302.462 3.054 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001246788048 1104675303 /nfs/dbraw/zinc/67/53/03/1104675303.db2.gz UCPOMWASPXTNEV-DAWZGUTISA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246788613 1104676017 /nfs/dbraw/zinc/67/60/17/1104676017.db2.gz UXIXEUMYRRSJPE-FHWLQOOXSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001246793142 1104677933 /nfs/dbraw/zinc/67/79/33/1104677933.db2.gz DLFSWJJRFXEOOK-RHSMWYFYSA-N 2 1 310.869 3.319 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246791729 1104678240 /nfs/dbraw/zinc/67/82/40/1104678240.db2.gz YOPHUPDILXKDGB-WMZOPIPTSA-N 2 1 300.446 3.062 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001246793140 1104678311 /nfs/dbraw/zinc/67/83/11/1104678311.db2.gz DLFSWJJRFXEOOK-PBHICJAKSA-N 2 1 310.869 3.319 20 0 DGADMP Cc1ncc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001275216029 1104679292 /nfs/dbraw/zinc/67/92/92/1104679292.db2.gz DHSPPRRMNBWHSW-UHFFFAOYSA-N 2 1 314.477 3.016 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804097 1104682811 /nfs/dbraw/zinc/68/28/11/1104682811.db2.gz LFTYZDZEPNVHFD-RDJZCZTQSA-N 2 1 320.502 3.316 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246804097 1104682815 /nfs/dbraw/zinc/68/28/15/1104682815.db2.gz LFTYZDZEPNVHFD-RDJZCZTQSA-N 2 1 320.502 3.316 20 0 DGADMP CC1(C)C[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246810433 1104685103 /nfs/dbraw/zinc/68/51/03/1104685103.db2.gz MXPIFDOLLJXQNS-SFHVURJKSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)CCc2ccc(OC)cc2)C[C@@H](CC)[NH2+]1 ZINC001246811953 1104686739 /nfs/dbraw/zinc/68/67/39/1104686739.db2.gz AVSXAVGXRCHCON-IAGOWNOFSA-N 2 1 304.478 3.479 20 0 DGADMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246814642 1104688949 /nfs/dbraw/zinc/68/89/49/1104688949.db2.gz SDUOSQVXZOEISX-MRXNPFEDSA-N 2 1 320.578 3.214 20 0 DGADMP Fc1ccccc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275246794 1104689964 /nfs/dbraw/zinc/68/99/64/1104689964.db2.gz BZMDHODQDPVZNL-UHFFFAOYSA-N 2 1 313.420 3.252 20 0 DGADMP COCCC[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001246834093 1104696305 /nfs/dbraw/zinc/69/63/05/1104696305.db2.gz DIDIAVKKUIVTBL-OAHLLOKOSA-N 2 1 324.896 3.362 20 0 DGADMP CCOc1ccccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275265184 1104696962 /nfs/dbraw/zinc/69/69/62/1104696962.db2.gz JCIQXAXMTDDOKZ-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP COCC[N@@H+]([C@@H](C)CSc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246837489 1104698417 /nfs/dbraw/zinc/69/84/17/1104698417.db2.gz UPCMRXPDCYLUTG-INIZCTEOSA-N 2 1 322.518 3.176 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246837316 1104698437 /nfs/dbraw/zinc/69/84/37/1104698437.db2.gz DBJQOHSOVWJMJY-LNLFQRSKSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841978 1104703028 /nfs/dbraw/zinc/70/30/28/1104703028.db2.gz SEWXNFZKSRGYQK-QAPCUYQASA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841978 1104703036 /nfs/dbraw/zinc/70/30/36/1104703036.db2.gz SEWXNFZKSRGYQK-QAPCUYQASA-N 2 1 320.477 3.302 20 0 DGADMP c1ccc([C@H]2CCC[C@H]([N@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843289 1104703144 /nfs/dbraw/zinc/70/31/44/1104703144.db2.gz FPDZCPADVOYQQQ-HKUYNNGSSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc([C@H]2CCC[C@H]([N@@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843289 1104703150 /nfs/dbraw/zinc/70/31/50/1104703150.db2.gz FPDZCPADVOYQQQ-HKUYNNGSSA-N 2 1 314.473 3.166 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCC[C@H]2CC[NH3+])C[C@@H](C)N1Cc1ccccc1 ZINC001246845805 1104705087 /nfs/dbraw/zinc/70/50/87/1104705087.db2.gz LZQPUJRNVYXCNB-LMMKCTJWSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@H]2CC[NH3+])C[C@@H](C)N1Cc1ccccc1 ZINC001246845805 1104705094 /nfs/dbraw/zinc/70/50/94/1104705094.db2.gz LZQPUJRNVYXCNB-LMMKCTJWSA-N 2 1 315.505 3.241 20 0 DGADMP c1ccc(C[C@H]2C[C@H]([NH+]3CC(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246851017 1104706272 /nfs/dbraw/zinc/70/62/72/1104706272.db2.gz XUBOOCZLOYOLDH-LEWJYISDSA-N 2 1 306.453 3.449 20 0 DGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246848002 1104706371 /nfs/dbraw/zinc/70/63/71/1104706371.db2.gz URCDOUCWLWOJHJ-OAGGEKHMSA-N 2 1 312.523 3.097 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246847897 1104707056 /nfs/dbraw/zinc/70/70/56/1104707056.db2.gz YVQNCHINLVUSFF-HBFSDRIKSA-N 2 1 314.473 3.370 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246852078 1104707809 /nfs/dbraw/zinc/70/78/09/1104707809.db2.gz OXOSJZXPBWJRFO-RDJZCZTQSA-N 2 1 320.864 3.325 20 0 DGADMP CCN([C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246854200 1104708688 /nfs/dbraw/zinc/70/86/88/1104708688.db2.gz NNGAMAMVTBNDSZ-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853822 1104709346 /nfs/dbraw/zinc/70/93/46/1104709346.db2.gz NPEWEUBTSIMTIP-FFSVYQOJSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853822 1104709350 /nfs/dbraw/zinc/70/93/50/1104709350.db2.gz NPEWEUBTSIMTIP-FFSVYQOJSA-N 2 1 311.256 3.274 20 0 DGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856172 1104709646 /nfs/dbraw/zinc/70/96/46/1104709646.db2.gz SEPHQPCKKWTTTK-YWTNHNAXSA-N 2 1 324.509 3.066 20 0 DGADMP CC[C@@H]1CC([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246875716 1104716124 /nfs/dbraw/zinc/71/61/24/1104716124.db2.gz NYDVKIBPADGFMN-IAGOWNOFSA-N 2 1 318.461 3.214 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)Cc2cccc(C(=O)OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246875716 1104716129 /nfs/dbraw/zinc/71/61/29/1104716129.db2.gz NYDVKIBPADGFMN-IAGOWNOFSA-N 2 1 318.461 3.214 20 0 DGADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246875411 1104716206 /nfs/dbraw/zinc/71/62/06/1104716206.db2.gz VKEVEUGCONBGPI-OALUTQOASA-N 2 1 309.542 3.480 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246882536 1104720941 /nfs/dbraw/zinc/72/09/41/1104720941.db2.gz RZKSYWKRETUWKL-XHSDSOJGSA-N 2 1 324.509 3.349 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246882534 1104721965 /nfs/dbraw/zinc/72/19/65/1104721965.db2.gz RZKSYWKRETUWKL-JYJNAYRXSA-N 2 1 324.509 3.349 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)CC(C)(C)O)CC[NH2+]1 ZINC001246888040 1104724893 /nfs/dbraw/zinc/72/48/93/1104724893.db2.gz MTPAUGFVKBTZJD-MSOLQXFVSA-N 2 1 304.478 3.036 20 0 DGADMP CCCN([C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246893611 1104726130 /nfs/dbraw/zinc/72/61/30/1104726130.db2.gz LACFSKIHOSGRDD-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246891896 1104726219 /nfs/dbraw/zinc/72/62/19/1104726219.db2.gz NWFXWQMOGVPDOC-UFYCRDLUSA-N 2 1 314.473 3.200 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246891961 1104726539 /nfs/dbraw/zinc/72/65/39/1104726539.db2.gz ZGUQJOPWBNFNCS-FUHWJXTLSA-N 2 1 316.489 3.480 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904265 1104730660 /nfs/dbraw/zinc/73/06/60/1104730660.db2.gz VHYPRGQNNBDQIK-BRWVUGGUSA-N 2 1 324.509 3.351 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3c(cccc3OC)C2)C[C@H](CC)[NH2+]1 ZINC001246904600 1104730895 /nfs/dbraw/zinc/73/08/95/1104730895.db2.gz HMSNEWFXIMPURV-BJWYYQGGSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3c(cccc3OC)C2)C[C@H](CC)[NH2+]1 ZINC001246904600 1104730901 /nfs/dbraw/zinc/73/09/01/1104730901.db2.gz HMSNEWFXIMPURV-BJWYYQGGSA-N 2 1 302.462 3.363 20 0 DGADMP Nc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246907397 1104731774 /nfs/dbraw/zinc/73/17/74/1104731774.db2.gz VCDFCPBJKUADGW-UXHICEINSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246907397 1104731780 /nfs/dbraw/zinc/73/17/80/1104731780.db2.gz VCDFCPBJKUADGW-UXHICEINSA-N 2 1 307.441 3.120 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2[C@H]2CCOC3(C[NH2+]C3)C2)cc1C ZINC001246907865 1104731828 /nfs/dbraw/zinc/73/18/28/1104731828.db2.gz JZWXYZUAMBJWQF-OALUTQOASA-N 2 1 314.473 3.351 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246911220 1104734000 /nfs/dbraw/zinc/73/40/00/1104734000.db2.gz AHTCGKICVWQXLM-BPQIPLTHSA-N 2 1 302.462 3.090 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246919798 1104737482 /nfs/dbraw/zinc/73/74/82/1104737482.db2.gz ROPXDKRGKRBFHI-NXOAAHMSSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246919798 1104737483 /nfs/dbraw/zinc/73/74/83/1104737483.db2.gz ROPXDKRGKRBFHI-NXOAAHMSSA-N 2 1 322.493 3.103 20 0 DGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275370263 1104739677 /nfs/dbraw/zinc/73/96/77/1104739677.db2.gz QKXJBWOJAACDHA-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275370263 1104739682 /nfs/dbraw/zinc/73/96/82/1104739682.db2.gz QKXJBWOJAACDHA-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275370263 1104739684 /nfs/dbraw/zinc/73/96/84/1104739684.db2.gz QKXJBWOJAACDHA-IBGZPJMESA-N 2 1 302.462 3.317 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246930300 1104741129 /nfs/dbraw/zinc/74/11/29/1104741129.db2.gz UATUEFHTYSMSKP-XNHLSEOASA-N 2 1 300.446 3.158 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936418 1104743137 /nfs/dbraw/zinc/74/31/37/1104743137.db2.gz IRGPIDBVKPPQCU-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246935052 1104743219 /nfs/dbraw/zinc/74/32/19/1104743219.db2.gz PZRPKUXDRFVKDJ-ZWKOTPCHSA-N 2 1 320.452 3.337 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934649 1104743420 /nfs/dbraw/zinc/74/34/20/1104743420.db2.gz ORUHIOPSHTVXIG-ZWKOTPCHSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246934649 1104743428 /nfs/dbraw/zinc/74/34/28/1104743428.db2.gz ORUHIOPSHTVXIG-ZWKOTPCHSA-N 2 1 309.542 3.351 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941537 1104745587 /nfs/dbraw/zinc/74/55/87/1104745587.db2.gz ZIMIDQOJMOPAFG-WDSOQIARSA-N 3 1 321.553 3.397 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N(C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941537 1104745593 /nfs/dbraw/zinc/74/55/93/1104745593.db2.gz ZIMIDQOJMOPAFG-WDSOQIARSA-N 2 1 321.553 3.397 20 0 DGADMP CC(C)(C)CN(C1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246947014 1104748109 /nfs/dbraw/zinc/74/81/09/1104748109.db2.gz RRPANDNZUOHAJY-IBGZPJMESA-N 2 1 321.553 3.494 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246948758 1104748843 /nfs/dbraw/zinc/74/88/43/1104748843.db2.gz LHRBMCMLPNWPDS-DZFIZOCASA-N 2 1 319.468 3.257 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]([C@@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246966713 1104753773 /nfs/dbraw/zinc/75/37/73/1104753773.db2.gz WSLOXDLYHFICBB-SFHVURJKSA-N 2 1 320.452 3.256 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]([C@@H]1COC(C)(C)C1)C1CC[NH2+]CC1 ZINC001246966713 1104753778 /nfs/dbraw/zinc/75/37/78/1104753778.db2.gz WSLOXDLYHFICBB-SFHVURJKSA-N 2 1 320.452 3.256 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246967196 1104755104 /nfs/dbraw/zinc/75/51/04/1104755104.db2.gz LTGFTSGQNUJBNX-JQHSSLGASA-N 2 1 317.477 3.092 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246969873 1104755429 /nfs/dbraw/zinc/75/54/29/1104755429.db2.gz XSGZLIGYQGPZAG-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccncc3C)C2)CC[NH2+]1 ZINC001246974041 1104756061 /nfs/dbraw/zinc/75/60/61/1104756061.db2.gz POJNWXNYWQUORS-SQNIBIBYSA-N 2 1 317.477 3.154 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@@H](Oc3ncccc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246972838 1104756867 /nfs/dbraw/zinc/75/68/67/1104756867.db2.gz JOZOZSWTZYULOQ-JFIYKMOQSA-N 2 1 317.477 3.152 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246972080 1104757298 /nfs/dbraw/zinc/75/72/98/1104757298.db2.gz CKVYNFIPXUKENX-IAGOWNOFSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@H](C)NC2)c1 ZINC001246974712 1104757563 /nfs/dbraw/zinc/75/75/63/1104757563.db2.gz RJJGMELGCZKVIJ-FRYIKTPZSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@H](C)NC2)c1 ZINC001246974712 1104757570 /nfs/dbraw/zinc/75/75/70/1104757570.db2.gz RJJGMELGCZKVIJ-FRYIKTPZSA-N 2 1 315.505 3.207 20 0 DGADMP COc1cccc(C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246974359 1104758563 /nfs/dbraw/zinc/75/85/63/1104758563.db2.gz RCWLXRCBOLJYJI-RDJZCZTQSA-N 2 1 302.462 3.090 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)c1 ZINC001246976724 1104759630 /nfs/dbraw/zinc/75/96/30/1104759630.db2.gz AOJAKFZJUURIQR-CUYAVPTFSA-N 2 1 318.436 3.201 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246980572 1104761206 /nfs/dbraw/zinc/76/12/06/1104761206.db2.gz SDCKBUNAXVFXKG-HZPDHXFCSA-N 2 1 304.434 3.014 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246979954 1104761354 /nfs/dbraw/zinc/76/13/54/1104761354.db2.gz PKUWLGWQLSSWBV-HKUYNNGSSA-N 2 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246979954 1104761355 /nfs/dbraw/zinc/76/13/55/1104761355.db2.gz PKUWLGWQLSSWBV-HKUYNNGSSA-N 2 1 309.542 3.494 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C[C@@H]1C ZINC001246985109 1104764275 /nfs/dbraw/zinc/76/42/75/1104764275.db2.gz AYSPRLPJVPIXEZ-TXTZMMAHSA-N 2 1 324.509 3.207 20 0 DGADMP CN(C)CC[N@H+](C1CC[NH2+]CC1)C1CCC2(CCCCC2)CC1 ZINC001246990003 1104765055 /nfs/dbraw/zinc/76/50/55/1104765055.db2.gz SUZPDBBSWQXEPZ-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP CN(C)CC[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCCCC2)CC1 ZINC001246990003 1104765060 /nfs/dbraw/zinc/76/50/60/1104765060.db2.gz SUZPDBBSWQXEPZ-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP Cc1ccc2cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)ccc2n1 ZINC001275457039 1104766154 /nfs/dbraw/zinc/76/61/54/1104766154.db2.gz NXMRXXBEPJWGOD-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC001275457039 1104766161 /nfs/dbraw/zinc/76/61/61/1104766161.db2.gz NXMRXXBEPJWGOD-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC001275457039 1104766169 /nfs/dbraw/zinc/76/61/69/1104766169.db2.gz NXMRXXBEPJWGOD-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996452 1104769535 /nfs/dbraw/zinc/76/95/35/1104769535.db2.gz XVSKVTXNIMDOQI-DGCLKSJQSA-N 2 1 302.340 3.158 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996452 1104769537 /nfs/dbraw/zinc/76/95/37/1104769537.db2.gz XVSKVTXNIMDOQI-DGCLKSJQSA-N 2 1 302.340 3.158 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[N@@H+]([C@@H]1CCC3(C[NH2+]C3)C1)C2 ZINC001246997701 1104769945 /nfs/dbraw/zinc/76/99/45/1104769945.db2.gz ATJJDIOOYJOCJC-CYBMUJFWSA-N 2 1 311.256 3.494 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@H]2Cc3ccccc3O2)C[C@H](CC)[NH2+]1 ZINC001246999464 1104770614 /nfs/dbraw/zinc/77/06/14/1104770614.db2.gz JEIULMFUNCMMAB-VSZNYVQBSA-N 2 1 302.462 3.231 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@H]3CCC[NH2+]CC3)CC[C@H]1N2 ZINC001247002037 1104771463 /nfs/dbraw/zinc/77/14/63/1104771463.db2.gz KHMYEAXZTCZLQQ-JLJPHGGASA-N 2 1 305.853 3.066 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@H]3CCC[NH2+]CC3)CC[C@H]1N2 ZINC001247002037 1104771468 /nfs/dbraw/zinc/77/14/68/1104771468.db2.gz KHMYEAXZTCZLQQ-JLJPHGGASA-N 2 1 305.853 3.066 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@](C)(C[NH3+])C1)CC2 ZINC001247000342 1104771598 /nfs/dbraw/zinc/77/15/98/1104771598.db2.gz HWXVRRGQMHQXAA-FZKQIMNGSA-N 2 1 322.880 3.267 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001247004421 1104772436 /nfs/dbraw/zinc/77/24/36/1104772436.db2.gz CBDXPODCFHJNIS-OLMNPRSZSA-N 2 1 316.445 3.141 20 0 DGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001247004418 1104773039 /nfs/dbraw/zinc/77/30/39/1104773039.db2.gz CBDXPODCFHJNIS-JCGIZDLHSA-N 2 1 316.445 3.141 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247002019 1104773397 /nfs/dbraw/zinc/77/33/97/1104773397.db2.gz KJVIPRUVMWRGBE-QZTJIDSGSA-N 2 1 314.473 3.081 20 0 DGADMP CSCC[C@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006118 1104774186 /nfs/dbraw/zinc/77/41/86/1104774186.db2.gz STAFQYTYRGLYRG-HNNXBMFYSA-N 2 1 304.503 3.265 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C[C@H](C)O1 ZINC001247007533 1104774623 /nfs/dbraw/zinc/77/46/23/1104774623.db2.gz XOEBQGJJQOLTRH-ALXJQNPVSA-N 2 1 314.473 3.079 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008961 1104775576 /nfs/dbraw/zinc/77/55/76/1104775576.db2.gz ZTZWSRSZHAOHQC-TWTQLAGVSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008961 1104775580 /nfs/dbraw/zinc/77/55/80/1104775580.db2.gz ZTZWSRSZHAOHQC-TWTQLAGVSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008955 1104775639 /nfs/dbraw/zinc/77/56/39/1104775639.db2.gz ZTZWSRSZHAOHQC-DHFFPCJSSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008955 1104775642 /nfs/dbraw/zinc/77/56/42/1104775642.db2.gz ZTZWSRSZHAOHQC-DHFFPCJSSA-N 2 1 317.864 3.206 20 0 DGADMP Cc1c[nH]c(CN2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001275688226 1104865102 /nfs/dbraw/zinc/86/51/02/1104865102.db2.gz NUWJMJMVZZPPDM-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001275688226 1104865110 /nfs/dbraw/zinc/86/51/10/1104865110.db2.gz NUWJMJMVZZPPDM-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001275688226 1104865121 /nfs/dbraw/zinc/86/51/21/1104865121.db2.gz NUWJMJMVZZPPDM-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP COc1ccc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001275810701 1104917648 /nfs/dbraw/zinc/91/76/48/1104917648.db2.gz IFCJNVFEDDCDDU-LJQANCHMSA-N 2 1 318.461 3.012 20 0 DGADMP Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275823192 1104922890 /nfs/dbraw/zinc/92/28/90/1104922890.db2.gz YMPHHXPMJIRUIR-UHFFFAOYSA-N 2 1 309.457 3.421 20 0 DGADMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cn1 ZINC001275853715 1104933364 /nfs/dbraw/zinc/93/33/64/1104933364.db2.gz SBAZNLSDBXLTNO-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001256746315 1105005340 /nfs/dbraw/zinc/00/53/40/1105005340.db2.gz VCFQPAIPWTVGDZ-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256746315 1105005346 /nfs/dbraw/zinc/00/53/46/1105005346.db2.gz VCFQPAIPWTVGDZ-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001256746315 1105005350 /nfs/dbraw/zinc/00/53/50/1105005350.db2.gz VCFQPAIPWTVGDZ-NEWSRXKRSA-N 2 1 301.478 3.351 20 0 DGADMP CCc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001276151638 1105032106 /nfs/dbraw/zinc/03/21/06/1105032106.db2.gz LTDLQRWHLQXKIQ-UHFFFAOYSA-N 2 1 313.445 3.268 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC001248194860 1105065464 /nfs/dbraw/zinc/06/54/64/1105065464.db2.gz OSQRPAAUHVJTHB-ZDUSSCGKSA-N 2 1 308.813 3.122 20 0 DGADMP Cc1cc(Cl)ccc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248195320 1105065767 /nfs/dbraw/zinc/06/57/67/1105065767.db2.gz VLKQZCXJIZDCNB-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP C[N@@H+](C[C@H](O)C(C)(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000720040300 1105066381 /nfs/dbraw/zinc/06/63/81/1105066381.db2.gz YUXPVNPXXLNLHQ-IBGZPJMESA-N 2 1 318.505 3.237 20 0 DGADMP Cc1ccnc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1Cl ZINC001276260826 1105066398 /nfs/dbraw/zinc/06/63/98/1105066398.db2.gz LOXAGXXQAXKWGE-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1ccnc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1Cl ZINC001276260826 1105066405 /nfs/dbraw/zinc/06/64/05/1105066405.db2.gz LOXAGXXQAXKWGE-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])CC2CC[NH2+]CC2)n1 ZINC001248897401 1105189074 /nfs/dbraw/zinc/18/90/74/1105189074.db2.gz XSBKRJHIXCUTFC-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137342730 1105491201 /nfs/dbraw/zinc/49/12/01/1105491201.db2.gz KQWWLJUNAFYRFX-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137342730 1105491206 /nfs/dbraw/zinc/49/12/06/1105491206.db2.gz KQWWLJUNAFYRFX-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137342730 1105491208 /nfs/dbraw/zinc/49/12/08/1105491208.db2.gz KQWWLJUNAFYRFX-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137342730 1105491212 /nfs/dbraw/zinc/49/12/12/1105491212.db2.gz KQWWLJUNAFYRFX-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3ncccc23)CC1 ZINC001137402499 1105515228 /nfs/dbraw/zinc/51/52/28/1105515228.db2.gz WOZCKTUKPDXAEX-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1SC ZINC001206582944 1105523519 /nfs/dbraw/zinc/52/35/19/1105523519.db2.gz QTGXFTMXXGCFQK-KRWDZBQOSA-N 2 1 308.491 3.368 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276380350 1105538667 /nfs/dbraw/zinc/53/86/67/1105538667.db2.gz QKAZRUVBUWIWPZ-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP CCC[NH+](CCC)CCN1CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC001255654522 1105560001 /nfs/dbraw/zinc/56/00/01/1105560001.db2.gz FEYOERFCFJYQTQ-OAHLLOKOSA-N 2 1 323.447 3.067 20 0 DGADMP CCCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001252087364 1105736418 /nfs/dbraw/zinc/73/64/18/1105736418.db2.gz AYLJESKLACBNGH-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001252087364 1105736423 /nfs/dbraw/zinc/73/64/23/1105736423.db2.gz AYLJESKLACBNGH-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252108935 1105741219 /nfs/dbraw/zinc/74/12/19/1105741219.db2.gz TWRSBCHOYUXXAI-OALUTQOASA-N 2 1 304.478 3.039 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001252120325 1105743168 /nfs/dbraw/zinc/74/31/68/1105743168.db2.gz SVAFLRRPHZLBJV-NZSAHSFTSA-N 2 1 304.478 3.038 20 0 DGADMP O[C@H](C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846315 1105840953 /nfs/dbraw/zinc/84/09/53/1105840953.db2.gz KASQJDAHHFIFLQ-RTBURBONSA-N 2 1 320.452 3.200 20 0 DGADMP O[C@H](C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC001252846315 1105840956 /nfs/dbraw/zinc/84/09/56/1105840956.db2.gz KASQJDAHHFIFLQ-RTBURBONSA-N 2 1 320.452 3.200 20 0 DGADMP O[C@]1(C[NH2+]CCCC2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252946005 1105857855 /nfs/dbraw/zinc/85/78/55/1105857855.db2.gz LRNKBXLRLUYAQW-FQEVSTJZSA-N 2 1 316.489 3.183 20 0 DGADMP O[C@]1(C[NH2+]CCCC2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946005 1105857860 /nfs/dbraw/zinc/85/78/60/1105857860.db2.gz LRNKBXLRLUYAQW-FQEVSTJZSA-N 2 1 316.489 3.183 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001253192684 1105901250 /nfs/dbraw/zinc/90/12/50/1105901250.db2.gz WWHOQNSSDMLSED-UXHICEINSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001253207980 1105903531 /nfs/dbraw/zinc/90/35/31/1105903531.db2.gz MFSFKCNHUOBEGI-DLBZAZTESA-N 2 1 310.869 3.083 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC001253209577 1105903724 /nfs/dbraw/zinc/90/37/24/1105903724.db2.gz GKZGJNMXKXCVNO-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccc(F)cc1 ZINC001253210842 1105903748 /nfs/dbraw/zinc/90/37/48/1105903748.db2.gz PEGIFGMCTPJWSG-MSOLQXFVSA-N 2 1 310.457 3.205 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253549049 1105956891 /nfs/dbraw/zinc/95/68/91/1105956891.db2.gz LJSMNTTUJWIECR-MOPGFXCFSA-N 2 1 304.478 3.039 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC001253581580 1105961861 /nfs/dbraw/zinc/96/18/61/1105961861.db2.gz XPZCXIWWPDTKKJ-YLJYHZDGSA-N 2 1 316.489 3.338 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC001254111847 1106018962 /nfs/dbraw/zinc/01/89/62/1106018962.db2.gz YMSPSERAWZQWGO-BBRMVZONSA-N 2 1 310.869 3.211 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001254486548 1106080114 /nfs/dbraw/zinc/08/01/14/1106080114.db2.gz CMBSMRAMEBGDNM-FQEVSTJZSA-N 2 1 317.521 3.015 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001254499657 1106082826 /nfs/dbraw/zinc/08/28/26/1106082826.db2.gz MAXDTHSLPPWSKS-GFCCVEGCSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001254507461 1106085521 /nfs/dbraw/zinc/08/55/21/1106085521.db2.gz LQRWRFQXXHCJOG-OALUTQOASA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254507572 1106085865 /nfs/dbraw/zinc/08/58/65/1106085865.db2.gz CIVSILPCGAEDPG-FQEVSTJZSA-N 3 1 321.553 3.353 20 0 DGADMP CN1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254507572 1106085868 /nfs/dbraw/zinc/08/58/68/1106085868.db2.gz CIVSILPCGAEDPG-FQEVSTJZSA-N 2 1 321.553 3.353 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254512412 1106088558 /nfs/dbraw/zinc/08/85/58/1106088558.db2.gz NFHMMUGEROYCKK-SFHVURJKSA-N 2 1 316.489 3.482 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001254522484 1106089813 /nfs/dbraw/zinc/08/98/13/1106089813.db2.gz GRYZFKAEQYGPNV-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC001254522110 1106090920 /nfs/dbraw/zinc/09/09/20/1106090920.db2.gz CAZRXAMXIUMZQL-MRXNPFEDSA-N 2 1 306.425 3.153 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001254521922 1106091358 /nfs/dbraw/zinc/09/13/58/1106091358.db2.gz ACMWEEFXEHRDQC-WBVHZDCISA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001254521922 1106091364 /nfs/dbraw/zinc/09/13/64/1106091364.db2.gz ACMWEEFXEHRDQC-WBVHZDCISA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001254521922 1106091371 /nfs/dbraw/zinc/09/13/71/1106091371.db2.gz ACMWEEFXEHRDQC-WBVHZDCISA-N 2 1 305.491 3.122 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001254524037 1106092972 /nfs/dbraw/zinc/09/29/72/1106092972.db2.gz WXHNHCFOKDMANC-KRWDZBQOSA-N 2 1 306.494 3.142 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001254524037 1106092974 /nfs/dbraw/zinc/09/29/74/1106092974.db2.gz WXHNHCFOKDMANC-KRWDZBQOSA-N 2 1 306.494 3.142 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)CC1 ZINC001254532152 1106096221 /nfs/dbraw/zinc/09/62/21/1106096221.db2.gz QGYCMXGURWSFFM-HXUWFJFHSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CCCN(C)CC3)CC2)CC1 ZINC001254532152 1106096226 /nfs/dbraw/zinc/09/62/26/1106096226.db2.gz QGYCMXGURWSFFM-HXUWFJFHSA-N 2 1 321.553 3.305 20 0 DGADMP O=C1C[C@H]2C[C@H]([N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955280 1106159317 /nfs/dbraw/zinc/15/93/17/1106159317.db2.gz ZNGDQPLHFNJOGQ-XDNAFOTISA-N 2 1 304.478 3.085 20 0 DGADMP O=C1C[C@H]2C[C@H]([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955280 1106159319 /nfs/dbraw/zinc/15/93/19/1106159319.db2.gz ZNGDQPLHFNJOGQ-XDNAFOTISA-N 2 1 304.478 3.085 20 0 DGADMP COc1ccccc1C1([NH3+])CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001255015850 1106166012 /nfs/dbraw/zinc/16/60/12/1106166012.db2.gz LFCDBAXXSOIJTJ-UHFFFAOYSA-N 2 1 322.452 3.112 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C1CCOCC1)CC2 ZINC001255039875 1106171430 /nfs/dbraw/zinc/17/14/30/1106171430.db2.gz YHKPJBCJECWIJQ-GOSISDBHSA-N 2 1 318.461 3.135 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2CCOCC2)CC1 ZINC001255035355 1106171742 /nfs/dbraw/zinc/17/17/42/1106171742.db2.gz ZHCCUBMYSLAUFH-WKILWMFISA-N 2 1 306.425 3.077 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C4CCSCC4)C[C@H]3C2)cc1 ZINC001255089042 1106176129 /nfs/dbraw/zinc/17/61/29/1106176129.db2.gz LRSZSYATROSVMK-QZTJIDSGSA-N 2 1 316.514 3.254 20 0 DGADMP Cc1cnc(CC[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124240 1106183582 /nfs/dbraw/zinc/18/35/82/1106183582.db2.gz IMDPENLWJYOJDV-REPLKXPHSA-N 2 1 324.472 3.061 20 0 DGADMP Oc1cccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129200 1106186489 /nfs/dbraw/zinc/18/64/89/1106186489.db2.gz VRWVTTIETCWDLM-BCDXTJNWSA-N 2 1 323.440 3.072 20 0 DGADMP Oc1cccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129200 1106186491 /nfs/dbraw/zinc/18/64/91/1106186491.db2.gz VRWVTTIETCWDLM-BCDXTJNWSA-N 2 1 323.440 3.072 20 0 DGADMP CO[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135521 1106186751 /nfs/dbraw/zinc/18/67/51/1106186751.db2.gz CFTHBUHBZSDNDR-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135521 1106186754 /nfs/dbraw/zinc/18/67/54/1106186754.db2.gz CFTHBUHBZSDNDR-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135521 1106186758 /nfs/dbraw/zinc/18/67/58/1106186758.db2.gz CFTHBUHBZSDNDR-NMLBUPMWSA-N 2 1 314.473 3.293 20 0 DGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255289784 1106216476 /nfs/dbraw/zinc/21/64/76/1106216476.db2.gz QXUAWNWHJNDKGY-SFHVURJKSA-N 2 1 304.503 3.478 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255289784 1106216478 /nfs/dbraw/zinc/21/64/78/1106216478.db2.gz QXUAWNWHJNDKGY-SFHVURJKSA-N 2 1 304.503 3.478 20 0 DGADMP OC[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255382205 1106236704 /nfs/dbraw/zinc/23/67/04/1106236704.db2.gz SVOTXPBLPXGUIY-NHCUHLMSSA-N 2 1 324.468 3.364 20 0 DGADMP OC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255382205 1106236708 /nfs/dbraw/zinc/23/67/08/1106236708.db2.gz SVOTXPBLPXGUIY-NHCUHLMSSA-N 2 1 324.468 3.364 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382537 1106237216 /nfs/dbraw/zinc/23/72/16/1106237216.db2.gz DDYYGTNSGAROMR-YTQUADARSA-N 2 1 304.478 3.038 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](NC3(c4cccnn4)CC3)CC2)cc1 ZINC001255386457 1106238528 /nfs/dbraw/zinc/23/85/28/1106238528.db2.gz MXAGWPBXPACODO-GOSISDBHSA-N 2 1 322.456 3.110 20 0 DGADMP CCCOCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392692 1106238914 /nfs/dbraw/zinc/23/89/14/1106238914.db2.gz HXNPNYBGWFOURV-IBGZPJMESA-N 2 1 304.478 3.447 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255392194 1106239668 /nfs/dbraw/zinc/23/96/68/1106239668.db2.gz GRZLCKGGUQFGOS-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP [NH3+]Cc1ncccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389435 1106239919 /nfs/dbraw/zinc/23/99/19/1106239919.db2.gz MVYKPWGITOTFGX-QGZVFWFLSA-N 2 1 310.445 3.007 20 0 DGADMP c1ncc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001255392940 1106240301 /nfs/dbraw/zinc/24/03/01/1106240301.db2.gz JSEIWUHWJZXNDQ-KRWDZBQOSA-N 2 1 315.486 3.330 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001255392896 1106240624 /nfs/dbraw/zinc/24/06/24/1106240624.db2.gz MTQCWERTOZEBBV-OALUTQOASA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@]1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCOC1 ZINC001255396899 1106240704 /nfs/dbraw/zinc/24/07/04/1106240704.db2.gz LKCZZCBZRXFNNP-RTBURBONSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393284 1106241258 /nfs/dbraw/zinc/24/12/58/1106241258.db2.gz NBCCLCZIIMPAIR-MJGOQNOKSA-N 2 1 324.472 3.052 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@]1(C)O ZINC001255398990 1106242291 /nfs/dbraw/zinc/24/22/91/1106242291.db2.gz NUDONLHULQCHOR-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@]1(C)O ZINC001255398990 1106242296 /nfs/dbraw/zinc/24/22/96/1106242296.db2.gz NUDONLHULQCHOR-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@]1(C)O ZINC001255398990 1106242299 /nfs/dbraw/zinc/24/22/99/1106242299.db2.gz NUDONLHULQCHOR-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1COCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255398292 1106242489 /nfs/dbraw/zinc/24/24/89/1106242489.db2.gz JLZPKYHFEDRWSE-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1COCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398292 1106242492 /nfs/dbraw/zinc/24/24/92/1106242492.db2.gz JLZPKYHFEDRWSE-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1COCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398292 1106242496 /nfs/dbraw/zinc/24/24/96/1106242496.db2.gz JLZPKYHFEDRWSE-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@]1(O)CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397773 1106243041 /nfs/dbraw/zinc/24/30/41/1106243041.db2.gz GVQHSEAOMPCLCA-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397773 1106243046 /nfs/dbraw/zinc/24/30/46/1106243046.db2.gz GVQHSEAOMPCLCA-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397773 1106243049 /nfs/dbraw/zinc/24/30/49/1106243049.db2.gz GVQHSEAOMPCLCA-WOJBJXKFSA-N 2 1 316.489 3.278 20 0 DGADMP CC(C)[C@H]1COCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404553 1106244385 /nfs/dbraw/zinc/24/43/85/1106244385.db2.gz KCXGRCKKLVEEDZ-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1COCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404553 1106244389 /nfs/dbraw/zinc/24/43/89/1106244389.db2.gz KCXGRCKKLVEEDZ-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404553 1106244392 /nfs/dbraw/zinc/24/43/92/1106244392.db2.gz KCXGRCKKLVEEDZ-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404553 1106244398 /nfs/dbraw/zinc/24/43/98/1106244398.db2.gz KCXGRCKKLVEEDZ-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP OCC[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255405018 1106244598 /nfs/dbraw/zinc/24/45/98/1106244598.db2.gz MIAUBIXSZOUEST-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255405018 1106244601 /nfs/dbraw/zinc/24/46/01/1106244601.db2.gz MIAUBIXSZOUEST-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP OCC[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255405018 1106244603 /nfs/dbraw/zinc/24/46/03/1106244603.db2.gz MIAUBIXSZOUEST-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC4(CSC4)C3)CC2)cc1 ZINC001255408635 1106246431 /nfs/dbraw/zinc/24/64/31/1106246431.db2.gz AEEKDXFUXKYKSC-KRWDZBQOSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC4(CSC4)C3)CC2)cc1 ZINC001255408635 1106246434 /nfs/dbraw/zinc/24/64/34/1106246434.db2.gz AEEKDXFUXKYKSC-KRWDZBQOSA-N 2 1 302.487 3.090 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255406184 1106246613 /nfs/dbraw/zinc/24/66/13/1106246613.db2.gz PMPQFTWMGBJAOJ-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406184 1106246615 /nfs/dbraw/zinc/24/66/15/1106246615.db2.gz PMPQFTWMGBJAOJ-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255406184 1106246618 /nfs/dbraw/zinc/24/66/18/1106246618.db2.gz PMPQFTWMGBJAOJ-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255407700 1106247081 /nfs/dbraw/zinc/24/70/81/1106247081.db2.gz CCQBJLCHXGHNCH-VBSBHUPXSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255407700 1106247084 /nfs/dbraw/zinc/24/70/84/1106247084.db2.gz CCQBJLCHXGHNCH-VBSBHUPXSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255407700 1106247091 /nfs/dbraw/zinc/24/70/91/1106247091.db2.gz CCQBJLCHXGHNCH-VBSBHUPXSA-N 2 1 314.473 3.008 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1C[NH2+]CC2 ZINC001255410417 1106248449 /nfs/dbraw/zinc/24/84/49/1106248449.db2.gz WSPZIZPSXCWYPK-LJQANCHMSA-N 2 1 309.457 3.361 20 0 DGADMP CN1CC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255422361 1106249131 /nfs/dbraw/zinc/24/91/31/1106249131.db2.gz QQFBZPUAHVDGGF-KZNAEPCWSA-N 2 1 321.896 3.116 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC(C)(C)C1 ZINC001255545329 1106267221 /nfs/dbraw/zinc/26/72/21/1106267221.db2.gz GQQZRLFAIWDDJC-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC(C)(C)C1 ZINC001255545329 1106267223 /nfs/dbraw/zinc/26/72/23/1106267223.db2.gz GQQZRLFAIWDDJC-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC(C)(C)C1 ZINC001255545329 1106267224 /nfs/dbraw/zinc/26/72/24/1106267224.db2.gz GQQZRLFAIWDDJC-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565260 1106271087 /nfs/dbraw/zinc/27/10/87/1106271087.db2.gz NOEWWCZEGAOHMU-KBRIMQKVSA-N 2 1 310.869 3.447 20 0 DGADMP COC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001255582935 1106273633 /nfs/dbraw/zinc/27/36/33/1106273633.db2.gz FDLXHOUBVYUOSO-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255582935 1106273635 /nfs/dbraw/zinc/27/36/35/1106273635.db2.gz FDLXHOUBVYUOSO-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255582935 1106273637 /nfs/dbraw/zinc/27/36/37/1106273637.db2.gz FDLXHOUBVYUOSO-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H](CC(F)(F)F)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255643704 1106283103 /nfs/dbraw/zinc/28/31/03/1106283103.db2.gz IKVHQSWDTJOMPD-JHJVBQTASA-N 2 1 308.388 3.078 20 0 DGADMP COc1ccc(CCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255665918 1106290258 /nfs/dbraw/zinc/29/02/58/1106290258.db2.gz MHPRBSIPOTXWAC-AYHJJNSGSA-N 2 1 302.462 3.233 20 0 DGADMP COc1cc2c(cc1C)C[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255669150 1106291101 /nfs/dbraw/zinc/29/11/01/1106291101.db2.gz QQGVQZHKTQQERH-MVCQKVDPSA-N 2 1 314.473 3.076 20 0 DGADMP COc1cc2c(cc1C)C[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255669150 1106291104 /nfs/dbraw/zinc/29/11/04/1106291104.db2.gz QQGVQZHKTQQERH-MVCQKVDPSA-N 2 1 314.473 3.076 20 0 DGADMP COC(=O)CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001255670698 1106291321 /nfs/dbraw/zinc/29/13/21/1106291321.db2.gz YJYBPDLJDXLGBB-ALOPSCKCSA-N 2 1 322.493 3.105 20 0 DGADMP COc1cccc2c1CC[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255682760 1106293967 /nfs/dbraw/zinc/29/39/67/1106293967.db2.gz MXNVIWDIQPOMKK-SJPCQFCGSA-N 2 1 300.446 3.069 20 0 DGADMP COc1cccc2c1CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255682760 1106293969 /nfs/dbraw/zinc/29/39/69/1106293969.db2.gz MXNVIWDIQPOMKK-SJPCQFCGSA-N 2 1 300.446 3.069 20 0 DGADMP COc1cccc2c1CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255682760 1106293975 /nfs/dbraw/zinc/29/39/75/1106293975.db2.gz MXNVIWDIQPOMKK-SJPCQFCGSA-N 2 1 300.446 3.069 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255702111 1106298259 /nfs/dbraw/zinc/29/82/59/1106298259.db2.gz XPXMNQGQRZSKJG-AAVRWANBSA-N 2 1 320.399 3.078 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001255766492 1106311487 /nfs/dbraw/zinc/31/14/87/1106311487.db2.gz AXVTXXPQXJPUFB-LZLYRXPVSA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001255766492 1106311489 /nfs/dbraw/zinc/31/14/89/1106311489.db2.gz AXVTXXPQXJPUFB-LZLYRXPVSA-N 2 1 304.503 3.359 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1(c2ccc(C(=O)OC)cc2)CC1 ZINC001255940573 1106345259 /nfs/dbraw/zinc/34/52/59/1106345259.db2.gz DPQSNNDNAXKIEF-HNNXBMFYSA-N 2 1 318.461 3.172 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H](O)c1cc2ccccc2o1 ZINC001255951966 1106347805 /nfs/dbraw/zinc/34/78/05/1106347805.db2.gz LNMLUPGSBUSROY-GDBMZVCRSA-N 2 1 304.434 3.176 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001255954080 1106348901 /nfs/dbraw/zinc/34/89/01/1106348901.db2.gz RWTMZTZTOVQRHS-QUCCMNQESA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001255954080 1106348905 /nfs/dbraw/zinc/34/89/05/1106348905.db2.gz RWTMZTZTOVQRHS-QUCCMNQESA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001255953772 1106348912 /nfs/dbraw/zinc/34/89/12/1106348912.db2.gz OLRGQWHNDFMEDY-HKUYNNGSSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccnc(OC)c1)C1CC1 ZINC001255954228 1106349178 /nfs/dbraw/zinc/34/91/78/1106349178.db2.gz ZCHOJQMTBVMGDR-KSSFIOAISA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2ccncc2)CC1 ZINC001255957678 1106349698 /nfs/dbraw/zinc/34/96/98/1106349698.db2.gz UKCZODSQWMEAIK-MRXNPFEDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001255960071 1106349931 /nfs/dbraw/zinc/34/99/31/1106349931.db2.gz DYZLFPGMLGJHIA-QGZVFWFLSA-N 2 1 321.484 3.064 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001255958242 1106350093 /nfs/dbraw/zinc/35/00/93/1106350093.db2.gz ACZPESCADNOWAW-GOSISDBHSA-N 2 1 321.553 3.447 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2OC)C1 ZINC001255961908 1106350652 /nfs/dbraw/zinc/35/06/52/1106350652.db2.gz QPZPSWNUICYTGA-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](Oc2ccccc2OC)C1 ZINC001255961908 1106350656 /nfs/dbraw/zinc/35/06/56/1106350656.db2.gz QPZPSWNUICYTGA-SJORKVTESA-N 2 1 320.477 3.269 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001255965339 1106350797 /nfs/dbraw/zinc/35/07/97/1106350797.db2.gz DYFWTZZHWKPUPF-HNNXBMFYSA-N 2 1 306.450 3.025 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001255965339 1106350802 /nfs/dbraw/zinc/35/08/02/1106350802.db2.gz DYFWTZZHWKPUPF-HNNXBMFYSA-N 2 1 306.450 3.025 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001255960899 1106351180 /nfs/dbraw/zinc/35/11/80/1106351180.db2.gz JOTQDIBGHCZNHP-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001255960899 1106351186 /nfs/dbraw/zinc/35/11/86/1106351186.db2.gz JOTQDIBGHCZNHP-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001255968803 1106352048 /nfs/dbraw/zinc/35/20/48/1106352048.db2.gz JDYNXUJZEZISRU-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001255968803 1106352051 /nfs/dbraw/zinc/35/20/51/1106352051.db2.gz JDYNXUJZEZISRU-ROUUACIJSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001255972551 1106353263 /nfs/dbraw/zinc/35/32/63/1106353263.db2.gz UFAFIIKFFMLHNW-GOSISDBHSA-N 2 1 305.510 3.171 20 0 DGADMP Clc1ccc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256067493 1106363078 /nfs/dbraw/zinc/36/30/78/1106363078.db2.gz RSLQUGUJNUZOAK-UHFFFAOYSA-N 2 1 308.853 3.325 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1cccc(Br)c1 ZINC001256174129 1106384040 /nfs/dbraw/zinc/38/40/40/1106384040.db2.gz DHKFDCVFUZFWQZ-CYBMUJFWSA-N 2 1 313.283 3.439 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001256195077 1106388820 /nfs/dbraw/zinc/38/88/20/1106388820.db2.gz ZFYDYOMNPHXUSQ-UHFFFAOYSA-N 2 1 308.425 3.101 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)n1c[nH+]cc1CC[NH3+] ZINC001256214464 1106391644 /nfs/dbraw/zinc/39/16/44/1106391644.db2.gz JKWQLBMPFJXABV-GFCCVEGCSA-N 2 1 322.250 3.341 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307158 1106403400 /nfs/dbraw/zinc/40/34/00/1106403400.db2.gz KABAFGKFJDAQDO-KSSFIOAISA-N 2 1 321.896 3.239 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307158 1106403403 /nfs/dbraw/zinc/40/34/03/1106403403.db2.gz KABAFGKFJDAQDO-KSSFIOAISA-N 2 1 321.896 3.239 20 0 DGADMP CC(C)CC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001256365209 1106409995 /nfs/dbraw/zinc/40/99/95/1106409995.db2.gz PTQOHKSJLUHTBA-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP CC(C)CC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001256365209 1106409997 /nfs/dbraw/zinc/40/99/97/1106409997.db2.gz PTQOHKSJLUHTBA-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP CC(C)CC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001256365209 1106409998 /nfs/dbraw/zinc/40/99/98/1106409998.db2.gz PTQOHKSJLUHTBA-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP CC(C)CC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001256365209 1106409999 /nfs/dbraw/zinc/40/99/99/1106409999.db2.gz PTQOHKSJLUHTBA-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP Cc1cc(N([C@H](C)CCC(C)C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001256373672 1106412937 /nfs/dbraw/zinc/41/29/37/1106412937.db2.gz DBHHAXJOXLZJOM-OAHLLOKOSA-N 2 1 304.482 3.477 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(F)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526833 1106434330 /nfs/dbraw/zinc/43/43/30/1106434330.db2.gz OTZVKZVBCHOELF-FUHWJXTLSA-N 2 1 320.452 3.148 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256526833 1106434332 /nfs/dbraw/zinc/43/43/32/1106434332.db2.gz OTZVKZVBCHOELF-FUHWJXTLSA-N 2 1 320.452 3.148 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529278 1106434348 /nfs/dbraw/zinc/43/43/48/1106434348.db2.gz RPXYQNJNCCOMAC-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529278 1106434352 /nfs/dbraw/zinc/43/43/52/1106434352.db2.gz RPXYQNJNCCOMAC-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256526604 1106434766 /nfs/dbraw/zinc/43/47/66/1106434766.db2.gz NEDLYKLVOYJBKM-WQUXRXDGSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526604 1106434768 /nfs/dbraw/zinc/43/47/68/1106434768.db2.gz NEDLYKLVOYJBKM-WQUXRXDGSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256526604 1106434769 /nfs/dbraw/zinc/43/47/69/1106434769.db2.gz NEDLYKLVOYJBKM-WQUXRXDGSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526604 1106434770 /nfs/dbraw/zinc/43/47/70/1106434770.db2.gz NEDLYKLVOYJBKM-WQUXRXDGSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526604 1106434772 /nfs/dbraw/zinc/43/47/72/1106434772.db2.gz NEDLYKLVOYJBKM-WQUXRXDGSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256534380 1106435432 /nfs/dbraw/zinc/43/54/32/1106435432.db2.gz QNLZUWGFNPORHC-WBVHZDCISA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256534380 1106435435 /nfs/dbraw/zinc/43/54/35/1106435435.db2.gz QNLZUWGFNPORHC-WBVHZDCISA-N 2 1 304.478 3.179 20 0 DGADMP CC[N@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536947 1106436200 /nfs/dbraw/zinc/43/62/00/1106436200.db2.gz KFACXKKMZUHTLP-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536947 1106436202 /nfs/dbraw/zinc/43/62/02/1106436202.db2.gz KFACXKKMZUHTLP-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536947 1106436203 /nfs/dbraw/zinc/43/62/03/1106436203.db2.gz KFACXKKMZUHTLP-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536970 1106436223 /nfs/dbraw/zinc/43/62/23/1106436223.db2.gz LUPHPZJBVJGVTN-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536970 1106436225 /nfs/dbraw/zinc/43/62/25/1106436225.db2.gz LUPHPZJBVJGVTN-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@@H](N2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538612 1106437798 /nfs/dbraw/zinc/43/77/98/1106437798.db2.gz UNMKXKRDFMQNPO-PXNSSMCTSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@@H](N(C)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539744 1106438153 /nfs/dbraw/zinc/43/81/53/1106438153.db2.gz YGKVOFMRHVTYJN-PXNSSMCTSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543884 1106438882 /nfs/dbraw/zinc/43/88/82/1106438882.db2.gz VCFBLIWASVRJMT-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543884 1106438884 /nfs/dbraw/zinc/43/88/84/1106438884.db2.gz VCFBLIWASVRJMT-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543884 1106438887 /nfs/dbraw/zinc/43/88/87/1106438887.db2.gz VCFBLIWASVRJMT-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543884 1106438889 /nfs/dbraw/zinc/43/88/89/1106438889.db2.gz VCFBLIWASVRJMT-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256543878 1106439663 /nfs/dbraw/zinc/43/96/63/1106439663.db2.gz VBSJMLAILYWVLY-AFYVEPGGSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256543878 1106439666 /nfs/dbraw/zinc/43/96/66/1106439666.db2.gz VBSJMLAILYWVLY-AFYVEPGGSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543878 1106439667 /nfs/dbraw/zinc/43/96/67/1106439667.db2.gz VBSJMLAILYWVLY-AFYVEPGGSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256543878 1106439670 /nfs/dbraw/zinc/43/96/70/1106439670.db2.gz VBSJMLAILYWVLY-AFYVEPGGSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551091 1106440522 /nfs/dbraw/zinc/44/05/22/1106440522.db2.gz PMYYFMTVHRIRQG-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551091 1106440524 /nfs/dbraw/zinc/44/05/24/1106440524.db2.gz PMYYFMTVHRIRQG-AEFFLSMTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CCO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256556369 1106443730 /nfs/dbraw/zinc/44/37/30/1106443730.db2.gz ZENGIDFJNMNBPN-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556369 1106443731 /nfs/dbraw/zinc/44/37/31/1106443731.db2.gz ZENGIDFJNMNBPN-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556369 1106443734 /nfs/dbraw/zinc/44/37/34/1106443734.db2.gz ZENGIDFJNMNBPN-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556369 1106443736 /nfs/dbraw/zinc/44/37/36/1106443736.db2.gz ZENGIDFJNMNBPN-RLLQIKCJSA-N 2 1 316.489 3.134 20 0 DGADMP Cn1c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1C(F)(F)F ZINC001256554970 1106443888 /nfs/dbraw/zinc/44/38/88/1106443888.db2.gz PQZXIEGYNUTHIU-UHFFFAOYSA-N 2 1 317.399 3.396 20 0 DGADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001256556707 1106444001 /nfs/dbraw/zinc/44/40/01/1106444001.db2.gz IOZJLECJBCXKGC-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001256556707 1106444002 /nfs/dbraw/zinc/44/40/02/1106444002.db2.gz IOZJLECJBCXKGC-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001256556707 1106444004 /nfs/dbraw/zinc/44/40/04/1106444004.db2.gz IOZJLECJBCXKGC-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256575418 1106448550 /nfs/dbraw/zinc/44/85/50/1106448550.db2.gz NCDVKQHSZBDFGL-MRXNPFEDSA-N 2 1 324.509 3.446 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)nc1 ZINC001256576347 1106449394 /nfs/dbraw/zinc/44/93/94/1106449394.db2.gz GVTTXXNJCOHKLG-QGZVFWFLSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)nc1 ZINC001256576347 1106449396 /nfs/dbraw/zinc/44/93/96/1106449396.db2.gz GVTTXXNJCOHKLG-QGZVFWFLSA-N 2 1 317.477 3.106 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CC3(c4ccccn4)CC3)CC2)cc1 ZINC001256600517 1106451777 /nfs/dbraw/zinc/45/17/77/1106451777.db2.gz SBHCJGYSXZPLAB-UHFFFAOYSA-N 2 1 321.468 3.367 20 0 DGADMP c1ccc2c(c1)CCC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256697761 1106470630 /nfs/dbraw/zinc/47/06/30/1106470630.db2.gz IHUUATPLARYWPW-UHFFFAOYSA-N 2 1 314.473 3.078 20 0 DGADMP C[N@@H+](Cc1cccc(Cl)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695072 1106470776 /nfs/dbraw/zinc/47/07/76/1106470776.db2.gz MDAMHYLCTOCBMG-UHFFFAOYSA-N 2 1 322.880 3.415 20 0 DGADMP C1CC[C@H]2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CC[C@H]2C1 ZINC001256696376 1106470806 /nfs/dbraw/zinc/47/08/06/1106470806.db2.gz BBWDRWVPGGQAHW-SMVLHYPJSA-N 2 1 306.494 3.142 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787467 1106482320 /nfs/dbraw/zinc/48/23/20/1106482320.db2.gz VZCKJRYBMZYIGD-UXHICEINSA-N 2 1 310.441 3.368 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787467 1106482322 /nfs/dbraw/zinc/48/23/22/1106482322.db2.gz VZCKJRYBMZYIGD-UXHICEINSA-N 2 1 310.441 3.368 20 0 DGADMP c1[nH+]cn([C@@H]2CCO[C@H](c3ccccc3)C2)c1C1CC[NH2+]CC1 ZINC001256822882 1106491079 /nfs/dbraw/zinc/49/10/79/1106491079.db2.gz SPUMZHWBSSAFBH-MJGOQNOKSA-N 2 1 311.429 3.443 20 0 DGADMP c1[nH+]cn([C@H]2CCO[C@@H](c3ccccc3)C2)c1C1CC[NH2+]CC1 ZINC001256822883 1106491121 /nfs/dbraw/zinc/49/11/21/1106491121.db2.gz SPUMZHWBSSAFBH-PKOBYXMFSA-N 2 1 311.429 3.443 20 0 DGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256828891 1106492839 /nfs/dbraw/zinc/49/28/39/1106492839.db2.gz IYQMNBSSFZSRHG-OALUTQOASA-N 2 1 302.462 3.323 20 0 DGADMP C[N@@H+](CCOc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861347 1106499142 /nfs/dbraw/zinc/49/91/42/1106499142.db2.gz YPAOLVRUIAWVOB-UHFFFAOYSA-N 2 1 311.429 3.061 20 0 DGADMP Fc1cccc2c1CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256862239 1106499844 /nfs/dbraw/zinc/49/98/44/1106499844.db2.gz KURHZHAMLXTRQC-UHFFFAOYSA-N 2 1 311.404 3.248 20 0 DGADMP CC1CC[NH+](CCCN[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256899097 1106504513 /nfs/dbraw/zinc/50/45/13/1106504513.db2.gz RGXGLHHJLXFEPS-SFHVURJKSA-N 2 1 307.526 3.105 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256901964 1106505583 /nfs/dbraw/zinc/50/55/83/1106505583.db2.gz MUBVMSZCPXGOAS-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256901964 1106505586 /nfs/dbraw/zinc/50/55/86/1106505586.db2.gz MUBVMSZCPXGOAS-QGZVFWFLSA-N 2 1 302.462 3.234 20 0 DGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256900925 1106505877 /nfs/dbraw/zinc/50/58/77/1106505877.db2.gz CKQOTUHOJNZAOA-ULQDDVLXSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256900925 1106505882 /nfs/dbraw/zinc/50/58/82/1106505882.db2.gz CKQOTUHOJNZAOA-ULQDDVLXSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CC1([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC001256909213 1106509303 /nfs/dbraw/zinc/50/93/03/1106509303.db2.gz SWOQYNGLYJBVGE-MRXNPFEDSA-N 2 1 322.493 3.249 20 0 DGADMP COC(=O)CC1([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256909213 1106509306 /nfs/dbraw/zinc/50/93/06/1106509306.db2.gz SWOQYNGLYJBVGE-MRXNPFEDSA-N 2 1 322.493 3.249 20 0 DGADMP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909190 1106509336 /nfs/dbraw/zinc/50/93/36/1106509336.db2.gz SPKPDCSGUPHWOA-IBGZPJMESA-N 3 1 321.553 3.351 20 0 DGADMP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909190 1106509338 /nfs/dbraw/zinc/50/93/38/1106509338.db2.gz SPKPDCSGUPHWOA-IBGZPJMESA-N 3 1 321.553 3.351 20 0 DGADMP CCCCC[NH+]1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256915990 1106511509 /nfs/dbraw/zinc/51/15/09/1106511509.db2.gz DFZBDSKASQBPKY-IBGZPJMESA-N 2 1 307.526 3.201 20 0 DGADMP CCN(CC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256924181 1106513405 /nfs/dbraw/zinc/51/34/05/1106513405.db2.gz VEXRZYMPVCWZBX-IBGZPJMESA-N 2 1 307.526 3.201 20 0 DGADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257047427 1106529759 /nfs/dbraw/zinc/52/97/59/1106529759.db2.gz KNISHBYUZUGIDF-UOVPBQLFSA-N 2 1 324.509 3.479 20 0 DGADMP CCOC(=O)c1ccc(C[C@@H](C)[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC001257166102 1106547642 /nfs/dbraw/zinc/54/76/42/1106547642.db2.gz CBRQIWLHDKWHEI-MRXNPFEDSA-N 2 1 320.477 3.068 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](CCO)c2cccc(Cl)c2)CC1 ZINC001257207774 1106550936 /nfs/dbraw/zinc/55/09/36/1106550936.db2.gz JDCYHGSGTKNNHT-QGZVFWFLSA-N 2 1 310.869 3.226 20 0 DGADMP CCC[C@@H](CC)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001257260518 1106557454 /nfs/dbraw/zinc/55/74/54/1106557454.db2.gz QIENHQWPHPTXEF-GOSISDBHSA-N 2 1 318.509 3.429 20 0 DGADMP CCC(CC)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001257297438 1106562675 /nfs/dbraw/zinc/56/26/75/1106562675.db2.gz VZWKKFAZTHRHGE-UHFFFAOYSA-N 2 1 304.482 3.039 20 0 DGADMP CCC[C@H](C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001257308745 1106565227 /nfs/dbraw/zinc/56/52/27/1106565227.db2.gz FWSXQYZQRUGCQD-HNNXBMFYSA-N 2 1 315.502 3.001 20 0 DGADMP CCCC(CCC)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001257339399 1106570586 /nfs/dbraw/zinc/57/05/86/1106570586.db2.gz PIFOYPGNVDWPST-INIZCTEOSA-N 2 1 324.509 3.305 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257389105 1106579602 /nfs/dbraw/zinc/57/96/02/1106579602.db2.gz WXPOKODFDDRJIQ-SZMVWBNQSA-N 2 1 324.509 3.480 20 0 DGADMP CC[C@H](C)[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257435487 1106588312 /nfs/dbraw/zinc/58/83/12/1106588312.db2.gz FAGKMUXHFBLPFU-WBAXXEDZSA-N 2 1 318.461 3.344 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3COc4ccc(Cl)cc4C3)C2)CC1 ZINC001257966094 1106653116 /nfs/dbraw/zinc/65/31/16/1106653116.db2.gz BCQHOKRIIXNNRB-INIZCTEOSA-N 2 1 320.864 3.061 20 0 DGADMP COc1cc([C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)ccn1 ZINC001258007718 1106656750 /nfs/dbraw/zinc/65/67/50/1106656750.db2.gz PBEGUPXMDHXLPV-LJQANCHMSA-N 2 1 317.477 3.251 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001258015168 1106658515 /nfs/dbraw/zinc/65/85/15/1106658515.db2.gz YUKPSIZNKLUQPX-LJQANCHMSA-N 2 1 302.462 3.260 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258104471 1106673770 /nfs/dbraw/zinc/67/37/70/1106673770.db2.gz SUPJOLCTSWRGRV-IXDOHACOSA-N 2 1 312.498 3.066 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCCC(=O)OCC)CC1 ZINC001258132183 1106678743 /nfs/dbraw/zinc/67/87/43/1106678743.db2.gz VIBLBJQHXLJCGC-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1C ZINC001258134642 1106679020 /nfs/dbraw/zinc/67/90/20/1106679020.db2.gz QMNDRKCPADOCPT-UHFFFAOYSA-N 2 1 311.473 3.130 20 0 DGADMP C[N@H+](C[C@H]1CCCCO1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145779 1106679664 /nfs/dbraw/zinc/67/96/64/1106679664.db2.gz LHLLQKXJAMDJAC-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145779 1106679669 /nfs/dbraw/zinc/67/96/69/1106679669.db2.gz LHLLQKXJAMDJAC-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP C[N@H+](CC1CCOCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140654 1106679833 /nfs/dbraw/zinc/67/98/33/1106679833.db2.gz BCPRLSZTZIGYKT-UHFFFAOYSA-N 2 1 316.489 3.052 20 0 DGADMP C[N@@H+](CC1CCOCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140654 1106679834 /nfs/dbraw/zinc/67/98/34/1106679834.db2.gz BCPRLSZTZIGYKT-UHFFFAOYSA-N 2 1 316.489 3.052 20 0 DGADMP FC1(F)C[C@]12CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258146263 1106680617 /nfs/dbraw/zinc/68/06/17/1106680617.db2.gz VFPORQJCVMMGAG-SFHVURJKSA-N 2 1 320.427 3.425 20 0 DGADMP FC1(F)C[C@]12CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258146263 1106680620 /nfs/dbraw/zinc/68/06/20/1106680620.db2.gz VFPORQJCVMMGAG-SFHVURJKSA-N 2 1 320.427 3.425 20 0 DGADMP FC1(F)C[C@@]12CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258146262 1106681149 /nfs/dbraw/zinc/68/11/49/1106681149.db2.gz VFPORQJCVMMGAG-GOSISDBHSA-N 2 1 320.427 3.425 20 0 DGADMP FC1(F)C[C@@]12CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258146262 1106681151 /nfs/dbraw/zinc/68/11/51/1106681151.db2.gz VFPORQJCVMMGAG-GOSISDBHSA-N 2 1 320.427 3.425 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189441 1106692398 /nfs/dbraw/zinc/69/23/98/1106692398.db2.gz RYMNOKXVPJEWNP-HKUYNNGSSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189441 1106692401 /nfs/dbraw/zinc/69/24/01/1106692401.db2.gz RYMNOKXVPJEWNP-HKUYNNGSSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189441 1106692402 /nfs/dbraw/zinc/69/24/02/1106692402.db2.gz RYMNOKXVPJEWNP-HKUYNNGSSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)Cc3ccco3)C2)C1 ZINC001258189441 1106692404 /nfs/dbraw/zinc/69/24/04/1106692404.db2.gz RYMNOKXVPJEWNP-HKUYNNGSSA-N 2 1 320.477 3.033 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258405365 1106733001 /nfs/dbraw/zinc/73/30/01/1106733001.db2.gz CNBCAMWFSPFAJB-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258405365 1106733006 /nfs/dbraw/zinc/73/30/06/1106733006.db2.gz CNBCAMWFSPFAJB-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+](CCn1ccnc1)C1CCN(c2cccc(F)c2)CC1 ZINC001258428681 1106742249 /nfs/dbraw/zinc/74/22/49/1106742249.db2.gz YSKGWKMZZFLHKB-UHFFFAOYSA-N 2 1 316.424 3.013 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258501341 1106783783 /nfs/dbraw/zinc/78/37/83/1106783783.db2.gz WZOHUZNOZOXQDJ-UHFFFAOYSA-N 2 1 303.494 3.367 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258501341 1106783795 /nfs/dbraw/zinc/78/37/95/1106783795.db2.gz WZOHUZNOZOXQDJ-UHFFFAOYSA-N 2 1 303.494 3.367 20 0 DGADMP CCCC1CCC([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001258530601 1106801127 /nfs/dbraw/zinc/80/11/27/1106801127.db2.gz POYITTUFIJCRKW-NKELODKYSA-N 2 1 308.510 3.436 20 0 DGADMP CCCC1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001258530601 1106801147 /nfs/dbraw/zinc/80/11/47/1106801147.db2.gz POYITTUFIJCRKW-NKELODKYSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[NH+]1CCC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001258773636 1106968892 /nfs/dbraw/zinc/96/88/92/1106968892.db2.gz LNWSLYAQDHBHSR-UHFFFAOYSA-N 2 1 319.537 3.201 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)CC1 ZINC001258777241 1106969516 /nfs/dbraw/zinc/96/95/16/1106969516.db2.gz NEGPTWRWXGAQPZ-GOSISDBHSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)CC1 ZINC001258777241 1106969523 /nfs/dbraw/zinc/96/95/23/1106969523.db2.gz NEGPTWRWXGAQPZ-GOSISDBHSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001258775974 1106970319 /nfs/dbraw/zinc/97/03/19/1106970319.db2.gz MSSBVTLBODERIN-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001258775974 1106970329 /nfs/dbraw/zinc/97/03/29/1106970329.db2.gz MSSBVTLBODERIN-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CCC[NH+]1CCC([NH+]2CCC(Oc3ncccc3C)CC2)CC1 ZINC001258777882 1106970793 /nfs/dbraw/zinc/97/07/93/1106970793.db2.gz LVDTYUZNAALRIW-UHFFFAOYSA-N 2 1 317.477 3.108 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258821143 1107003202 /nfs/dbraw/zinc/00/32/02/1107003202.db2.gz UDPLPDHDBXUJTJ-BTHPGYMESA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258821143 1107003218 /nfs/dbraw/zinc/00/32/18/1107003218.db2.gz UDPLPDHDBXUJTJ-BTHPGYMESA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258821143 1107003230 /nfs/dbraw/zinc/00/32/30/1107003230.db2.gz UDPLPDHDBXUJTJ-BTHPGYMESA-N 2 1 320.521 3.245 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC001258883474 1107035802 /nfs/dbraw/zinc/03/58/02/1107035802.db2.gz GSCYNBOLKOIAKO-RDJZCZTQSA-N 2 1 304.478 3.479 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC001258883474 1107035814 /nfs/dbraw/zinc/03/58/14/1107035814.db2.gz GSCYNBOLKOIAKO-RDJZCZTQSA-N 2 1 304.478 3.479 20 0 DGADMP CCOC(=O)[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)[C@@H](C)CC ZINC001258903332 1107051377 /nfs/dbraw/zinc/05/13/77/1107051377.db2.gz PZRHBEAHAYNRFJ-ARFHVFGLSA-N 2 1 300.487 3.064 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001320759638 1107128070 /nfs/dbraw/zinc/12/80/70/1107128070.db2.gz PRHDWJJRCUEVGA-CVEARBPZSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001320759638 1107128075 /nfs/dbraw/zinc/12/80/75/1107128075.db2.gz PRHDWJJRCUEVGA-CVEARBPZSA-N 2 1 324.896 3.362 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321220081 1107289712 /nfs/dbraw/zinc/28/97/12/1107289712.db2.gz KBXWUBIVMDSTMW-HNNXBMFYSA-N 2 1 323.444 3.018 20 0 DGADMP Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC001261200070 1107358849 /nfs/dbraw/zinc/35/88/49/1107358849.db2.gz KPSFTMBHUZBFEQ-LJQANCHMSA-N 2 1 312.413 3.060 20 0 DGADMP Cc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC001261200070 1107358861 /nfs/dbraw/zinc/35/88/61/1107358861.db2.gz KPSFTMBHUZBFEQ-LJQANCHMSA-N 2 1 312.413 3.060 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001261903825 1107559146 /nfs/dbraw/zinc/55/91/46/1107559146.db2.gz LSQJSEOJLMVUEX-HXUWFJFHSA-N 2 1 315.505 3.484 20 0 DGADMP COc1ccc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC001262363666 1107694007 /nfs/dbraw/zinc/69/40/07/1107694007.db2.gz ZUOUCLDEARAEMH-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001262379165 1107705909 /nfs/dbraw/zinc/70/59/09/1107705909.db2.gz SUYADGHEEIUMCQ-LZLYRXPVSA-N 2 1 320.452 3.387 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(C4CC4)s3)C[C@H]2C1 ZINC001262379283 1107708943 /nfs/dbraw/zinc/70/89/43/1107708943.db2.gz WMBLGHBUTFDKKF-RRFJBIMHSA-N 2 1 305.491 3.183 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[nH]n1 ZINC001318368484 1107963561 /nfs/dbraw/zinc/96/35/61/1107963561.db2.gz UOFDTTHXOLWHOB-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)cccc1N(C)C ZINC001323806246 1108091229 /nfs/dbraw/zinc/09/12/29/1108091229.db2.gz GUQSZFPKNVFZAK-UHFFFAOYSA-N 2 1 320.868 3.433 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Cl)cccc1N(C)C ZINC001323806246 1108091232 /nfs/dbraw/zinc/09/12/32/1108091232.db2.gz GUQSZFPKNVFZAK-UHFFFAOYSA-N 2 1 320.868 3.433 20 0 DGADMP c1ccc(CO[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000384081441 1108243572 /nfs/dbraw/zinc/24/35/72/1108243572.db2.gz XCWGDOXQJKECOI-NRFANRHFSA-N 2 1 322.452 3.123 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC001474736702 1108373347 /nfs/dbraw/zinc/37/33/47/1108373347.db2.gz GNARVVFICWPPIW-MAUKXSAKSA-N 2 1 317.477 3.228 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001319291871 1108404283 /nfs/dbraw/zinc/40/42/83/1108404283.db2.gz YIAZYSBETCIIKH-KFKAGJAMSA-N 2 1 304.478 3.479 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccn1C1CC1 ZINC001325129296 1108580702 /nfs/dbraw/zinc/58/07/02/1108580702.db2.gz YCOXZERAUXGLLN-UHFFFAOYSA-N 2 1 300.450 3.494 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccn1C1CC1 ZINC001325129296 1108580714 /nfs/dbraw/zinc/58/07/14/1108580714.db2.gz YCOXZERAUXGLLN-UHFFFAOYSA-N 2 1 300.450 3.494 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC001319689789 1108594136 /nfs/dbraw/zinc/59/41/36/1108594136.db2.gz WNFFHQRUBHYGDZ-INIZCTEOSA-N 2 1 302.462 3.359 20 0 DGADMP Fc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC001325279712 1108612391 /nfs/dbraw/zinc/61/23/91/1108612391.db2.gz YQPZUPOBKQLEOV-MJGOQNOKSA-N 2 1 317.452 3.011 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3N3CCCC3)CC[C@H]21 ZINC001319726161 1108612262 /nfs/dbraw/zinc/61/22/62/1108612262.db2.gz DHYFPSVXRVXGKO-IEBWSBKVSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)CC[C@H]21 ZINC001319726161 1108612269 /nfs/dbraw/zinc/61/22/69/1108612269.db2.gz DHYFPSVXRVXGKO-IEBWSBKVSA-N 2 1 313.489 3.203 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754946 1108624624 /nfs/dbraw/zinc/62/46/24/1108624624.db2.gz MSYKNRQHBWHMDT-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754946 1108624628 /nfs/dbraw/zinc/62/46/28/1108624628.db2.gz MSYKNRQHBWHMDT-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265448288 1108874904 /nfs/dbraw/zinc/87/49/04/1108874904.db2.gz QSIMDZJYNIFJOI-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394058804 1109089610 /nfs/dbraw/zinc/08/96/10/1109089610.db2.gz DUKKVXLZWOSPJT-INWMFGNUSA-N 2 1 323.278 3.064 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC001307498725 1111306397 /nfs/dbraw/zinc/30/63/97/1111306397.db2.gz IHIYCSSSCLHTHV-MJGOQNOKSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001307515870 1111309755 /nfs/dbraw/zinc/30/97/55/1111309755.db2.gz YYJMIFKGMHWGKY-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001307515870 1111309756 /nfs/dbraw/zinc/30/97/56/1111309756.db2.gz YYJMIFKGMHWGKY-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001307515870 1111309759 /nfs/dbraw/zinc/30/97/59/1111309759.db2.gz YYJMIFKGMHWGKY-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001307522491 1111310830 /nfs/dbraw/zinc/31/08/30/1111310830.db2.gz ZJRXJEJMWRZOHL-QRVBRYPASA-N 2 1 320.452 3.114 20 0 DGADMP CCC[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564282 1111315190 /nfs/dbraw/zinc/31/51/90/1111315190.db2.gz WJNZQKDEWMHRAM-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001307564282 1111315191 /nfs/dbraw/zinc/31/51/91/1111315191.db2.gz WJNZQKDEWMHRAM-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307564282 1111315194 /nfs/dbraw/zinc/31/51/94/1111315194.db2.gz WJNZQKDEWMHRAM-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307564282 1111315196 /nfs/dbraw/zinc/31/51/96/1111315196.db2.gz WJNZQKDEWMHRAM-ICSRJNTNSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785594 1111339359 /nfs/dbraw/zinc/33/93/59/1111339359.db2.gz NSMJWHLZFKWBHO-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785594 1111339365 /nfs/dbraw/zinc/33/93/65/1111339365.db2.gz NSMJWHLZFKWBHO-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785594 1111339368 /nfs/dbraw/zinc/33/93/68/1111339368.db2.gz NSMJWHLZFKWBHO-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001307785594 1111339372 /nfs/dbraw/zinc/33/93/72/1111339372.db2.gz NSMJWHLZFKWBHO-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP CC(C)COc1cccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001308012025 1111366182 /nfs/dbraw/zinc/36/61/82/1111366182.db2.gz VIXYOCYAIUZHRJ-MJGOQNOKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001308012025 1111366187 /nfs/dbraw/zinc/36/61/87/1111366187.db2.gz VIXYOCYAIUZHRJ-MJGOQNOKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001308012025 1111366191 /nfs/dbraw/zinc/36/61/91/1111366191.db2.gz VIXYOCYAIUZHRJ-MJGOQNOKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001308012025 1111366194 /nfs/dbraw/zinc/36/61/94/1111366194.db2.gz VIXYOCYAIUZHRJ-MJGOQNOKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001308012025 1111366198 /nfs/dbraw/zinc/36/61/98/1111366198.db2.gz VIXYOCYAIUZHRJ-MJGOQNOKSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCc1cccc(F)c1 ZINC001308087922 1111376398 /nfs/dbraw/zinc/37/63/98/1111376398.db2.gz ACMYIVYEWQZHGF-INIZCTEOSA-N 2 1 313.420 3.364 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCc1cccc(F)c1 ZINC001308087923 1111376543 /nfs/dbraw/zinc/37/65/43/1111376543.db2.gz ACMYIVYEWQZHGF-MRXNPFEDSA-N 2 1 313.420 3.364 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308149812 1111383855 /nfs/dbraw/zinc/38/38/55/1111383855.db2.gz OTSCATXPGHXDMC-GOSISDBHSA-N 2 1 313.445 3.384 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308149812 1111383860 /nfs/dbraw/zinc/38/38/60/1111383860.db2.gz OTSCATXPGHXDMC-GOSISDBHSA-N 2 1 313.445 3.384 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308149812 1111383865 /nfs/dbraw/zinc/38/38/65/1111383865.db2.gz OTSCATXPGHXDMC-GOSISDBHSA-N 2 1 313.445 3.384 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001308224036 1111400382 /nfs/dbraw/zinc/40/03/82/1111400382.db2.gz CYWNJRXJHBLFJQ-WMZOPIPTSA-N 2 1 316.489 3.264 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC001308237065 1111402399 /nfs/dbraw/zinc/40/23/99/1111402399.db2.gz VBGSPQVWZQTOJF-UHFFFAOYSA-N 2 1 320.408 3.162 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308253463 1111405283 /nfs/dbraw/zinc/40/52/83/1111405283.db2.gz XLUATRWINQSTOK-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC1CCCCC1 ZINC001308270243 1111408368 /nfs/dbraw/zinc/40/83/68/1111408368.db2.gz YLQJSQZCXSOLRE-HKUYNNGSSA-N 2 1 310.526 3.419 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(F)c2ccccc12 ZINC001308453975 1111430617 /nfs/dbraw/zinc/43/06/17/1111430617.db2.gz SVBIJVUWYZNNCQ-INIZCTEOSA-N 2 1 318.436 3.161 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1OC ZINC001308479679 1111433601 /nfs/dbraw/zinc/43/36/01/1111433601.db2.gz SVASQLWIUDAXNG-HUUCEWRRSA-N 2 1 308.466 3.302 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001308575891 1111446932 /nfs/dbraw/zinc/44/69/32/1111446932.db2.gz LKEAFRCBMLVTSV-SFHVURJKSA-N 2 1 304.453 3.422 20 0 DGADMP COc1ccc(SCC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC001308743708 1111469092 /nfs/dbraw/zinc/46/90/92/1111469092.db2.gz AEMRKDGONHIGOY-UHFFFAOYSA-N 2 1 319.474 3.314 20 0 DGADMP COc1ccc(SCC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC001308743708 1111469096 /nfs/dbraw/zinc/46/90/96/1111469096.db2.gz AEMRKDGONHIGOY-UHFFFAOYSA-N 2 1 319.474 3.314 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](OC)C2CC2)CC1)CC(C)C ZINC001308745499 1111469456 /nfs/dbraw/zinc/46/94/56/1111469456.db2.gz YMNWAVYNNYLYQU-IBGZPJMESA-N 2 1 310.526 3.491 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[N@H+]3CCCC3(C)C)CC2)C1 ZINC001308815727 1111479313 /nfs/dbraw/zinc/47/93/13/1111479313.db2.gz PGNDGZOIDUBFJF-MJGOQNOKSA-N 2 1 321.553 3.494 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883503 1111488397 /nfs/dbraw/zinc/48/83/97/1111488397.db2.gz XHNWTWFTJOEQCD-DNVCBOLYSA-N 2 1 301.478 3.123 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883503 1111488399 /nfs/dbraw/zinc/48/83/99/1111488399.db2.gz XHNWTWFTJOEQCD-DNVCBOLYSA-N 2 1 301.478 3.123 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H](Oc4ccccc4)C3(C)C)[C@H]2C1 ZINC001308984496 1111505261 /nfs/dbraw/zinc/50/52/61/1111505261.db2.gz IWWFMUVBAWNLEB-HZZCBIDNSA-N 2 1 314.473 3.162 20 0 DGADMP C[C@H]([NH2+]CCC1CSC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308984380 1111505376 /nfs/dbraw/zinc/50/53/76/1111505376.db2.gz IDUMQJAGWQXAOY-YJBOKZPZSA-N 2 1 304.503 3.240 20 0 DGADMP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)n1 ZINC001310834913 1111572931 /nfs/dbraw/zinc/57/29/31/1111572931.db2.gz QSZZTNMMUISFLG-CQSZACIVSA-N 2 1 304.438 3.001 20 0 DGADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000278251501 214047980 /nfs/dbraw/zinc/04/79/80/214047980.db2.gz MOECLUIKYACAQN-ALOPSCKCSA-N 2 1 318.461 3.199 20 0 DGADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000278251501 214047984 /nfs/dbraw/zinc/04/79/84/214047984.db2.gz MOECLUIKYACAQN-ALOPSCKCSA-N 2 1 318.461 3.199 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cscc1Br ZINC000285324497 546397320 /nfs/dbraw/zinc/39/73/20/546397320.db2.gz BHLUVRJXSYFHRJ-UHFFFAOYSA-N 2 1 314.252 3.195 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181238714 199270023 /nfs/dbraw/zinc/27/00/23/199270023.db2.gz GHMKSZKKBSTOIJ-WDSOQIARSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414747518 230810569 /nfs/dbraw/zinc/81/05/69/230810569.db2.gz UPKCFNISSPATPM-VYDXJSESSA-N 2 1 318.436 3.109 20 0 DGADMP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309688495 231102464 /nfs/dbraw/zinc/10/24/64/231102464.db2.gz CGMFAQKDTNHPHH-KRWDZBQOSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Br)c2)CC[N@H+]1C ZINC000313707610 231124955 /nfs/dbraw/zinc/12/49/55/231124955.db2.gz ZRUVZLSTKMJLSF-WFASDCNBSA-N 2 1 311.267 3.064 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309931326 231106571 /nfs/dbraw/zinc/10/65/71/231106571.db2.gz ZFXZAEODCOLTDJ-HXUWFJFHSA-N 2 1 309.457 3.392 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc2ccccc21 ZINC000320822593 231197818 /nfs/dbraw/zinc/19/78/18/231197818.db2.gz SPVYHSQDGDYSMD-JQHSSLGASA-N 2 1 310.441 3.354 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc2ccccc21 ZINC000320822593 231197822 /nfs/dbraw/zinc/19/78/22/231197822.db2.gz SPVYHSQDGDYSMD-JQHSSLGASA-N 2 1 310.441 3.354 20 0 DGADMP c1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000103229408 432005825 /nfs/dbraw/zinc/00/58/25/432005825.db2.gz WUPQDJAWCZSWGU-GOSISDBHSA-N 2 1 301.478 3.212 20 0 DGADMP c1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000103229408 432005826 /nfs/dbraw/zinc/00/58/26/432005826.db2.gz WUPQDJAWCZSWGU-GOSISDBHSA-N 2 1 301.478 3.212 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccsc3)CC2)C[C@H](C)O1 ZINC000092587546 185327355 /nfs/dbraw/zinc/32/73/55/185327355.db2.gz QPIVHCZONGLGNJ-GASCZTMLSA-N 2 1 308.491 3.069 20 0 DGADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000459358331 282246967 /nfs/dbraw/zinc/24/69/67/282246967.db2.gz CQVACHBIMBEVKI-GOSISDBHSA-N 2 1 321.896 3.159 20 0 DGADMP C[N@H+](CCc1ccncc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821442 185344067 /nfs/dbraw/zinc/34/40/67/185344067.db2.gz FFWHNVQBGISJEY-UHFFFAOYSA-N 2 1 324.472 3.258 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]C2CC(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000433172114 529771151 /nfs/dbraw/zinc/77/11/51/529771151.db2.gz CAKXOKNYWUCDDR-LJQANCHMSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@@H+](CCCOc1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000441364863 529894991 /nfs/dbraw/zinc/89/49/91/529894991.db2.gz IQNVQTLPAKXIDQ-KRWDZBQOSA-N 2 1 308.441 3.401 20 0 DGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441364863 529894992 /nfs/dbraw/zinc/89/49/92/529894992.db2.gz IQNVQTLPAKXIDQ-KRWDZBQOSA-N 2 1 308.441 3.401 20 0 DGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000441364863 529894993 /nfs/dbraw/zinc/89/49/93/529894993.db2.gz IQNVQTLPAKXIDQ-KRWDZBQOSA-N 2 1 308.441 3.401 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430970280 529992979 /nfs/dbraw/zinc/99/29/79/529992979.db2.gz IWYAKCFJZBQSHH-INIZCTEOSA-N 2 1 320.440 3.043 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000415072290 530036718 /nfs/dbraw/zinc/03/67/18/530036718.db2.gz XSWQGOLUKYVOJJ-IBGZPJMESA-N 2 1 324.472 3.457 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305666216 530062754 /nfs/dbraw/zinc/06/27/54/530062754.db2.gz ZXPXPLOPNQIUJY-RBUKOAKNSA-N 2 1 320.452 3.055 20 0 DGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000104086463 432014194 /nfs/dbraw/zinc/01/41/94/432014194.db2.gz RUUKNNMVLHEVQY-UHFFFAOYSA-N 2 1 300.368 3.479 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181986740 199371608 /nfs/dbraw/zinc/37/16/08/199371608.db2.gz ZERRZJVDQKIYCA-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181986740 199371610 /nfs/dbraw/zinc/37/16/10/199371610.db2.gz ZERRZJVDQKIYCA-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000105442865 432018382 /nfs/dbraw/zinc/01/83/82/432018382.db2.gz DOPFRUCYWXJITE-LBPRGKRZSA-N 2 1 323.872 3.128 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000070170555 190865827 /nfs/dbraw/zinc/86/58/27/190865827.db2.gz HZADQZGCVGUDHP-GFCCVEGCSA-N 2 1 317.260 3.433 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC000066960611 432024603 /nfs/dbraw/zinc/02/46/03/432024603.db2.gz AQAFUCJNVWWVLI-CQSZACIVSA-N 2 1 308.470 3.137 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC000066960611 432024606 /nfs/dbraw/zinc/02/46/06/432024606.db2.gz AQAFUCJNVWWVLI-CQSZACIVSA-N 2 1 308.470 3.137 20 0 DGADMP Brc1c[nH+]ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000164014654 186145943 /nfs/dbraw/zinc/14/59/43/186145943.db2.gz ZNZAHSMKIBJXIJ-UHFFFAOYSA-N 2 1 324.266 3.299 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000173335372 186177707 /nfs/dbraw/zinc/17/77/07/186177707.db2.gz DRNHDFVQXVTGRI-GOSISDBHSA-N 2 1 323.484 3.285 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189972100 186257262 /nfs/dbraw/zinc/25/72/62/186257262.db2.gz FUBKHVYQEXQGQF-RBUKOAKNSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCCCO ZINC000189955606 186254523 /nfs/dbraw/zinc/25/45/23/186254523.db2.gz KDNVSPAQVKXXEP-UFRUDQCGSA-N 2 1 318.505 3.285 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2OCC)CC1 ZINC000072630339 191206501 /nfs/dbraw/zinc/20/65/01/191206501.db2.gz BSCRNOFYXNVULY-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2OCC)CC1 ZINC000072630339 191206504 /nfs/dbraw/zinc/20/65/04/191206504.db2.gz BSCRNOFYXNVULY-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858391 191240621 /nfs/dbraw/zinc/24/06/21/191240621.db2.gz QVMPNZJNLDZSCD-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858391 191240623 /nfs/dbraw/zinc/24/06/23/191240623.db2.gz QVMPNZJNLDZSCD-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858391 191240625 /nfs/dbraw/zinc/24/06/25/191240625.db2.gz QVMPNZJNLDZSCD-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000072858391 191240627 /nfs/dbraw/zinc/24/06/27/191240627.db2.gz QVMPNZJNLDZSCD-AWEZNQCLSA-N 2 1 300.368 3.479 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000072974938 191261927 /nfs/dbraw/zinc/26/19/27/191261927.db2.gz FTZKAROEUKMDKA-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000072974938 191261930 /nfs/dbraw/zinc/26/19/30/191261930.db2.gz FTZKAROEUKMDKA-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000072974938 191261933 /nfs/dbraw/zinc/26/19/33/191261933.db2.gz FTZKAROEUKMDKA-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000072974938 191261936 /nfs/dbraw/zinc/26/19/36/191261936.db2.gz FTZKAROEUKMDKA-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP Fc1ccc(F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173955287 198272792 /nfs/dbraw/zinc/27/27/92/198272792.db2.gz RFQBGOJXHYLXDK-UHFFFAOYSA-N 2 1 324.415 3.042 20 0 DGADMP C[N@@H+](CCc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975241 198275118 /nfs/dbraw/zinc/27/51/18/198275118.db2.gz MOVXJIDCHQADGD-HXUWFJFHSA-N 2 1 309.457 3.078 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975241 198275120 /nfs/dbraw/zinc/27/51/20/198275120.db2.gz MOVXJIDCHQADGD-HXUWFJFHSA-N 2 1 309.457 3.078 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975241 198275121 /nfs/dbraw/zinc/27/51/21/198275121.db2.gz MOVXJIDCHQADGD-HXUWFJFHSA-N 2 1 309.457 3.078 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000277066039 213273196 /nfs/dbraw/zinc/27/31/96/213273196.db2.gz DLHBLIMSKZZDRN-MRXNPFEDSA-N 2 1 323.868 3.085 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000131399141 432036925 /nfs/dbraw/zinc/03/69/25/432036925.db2.gz ISGWHIRSLWRDRV-HNNXBMFYSA-N 2 1 308.466 3.395 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000131436249 432039123 /nfs/dbraw/zinc/03/91/23/432039123.db2.gz GGVHQGPDAQXZSD-MRXNPFEDSA-N 2 1 317.477 3.196 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103910 283076421 /nfs/dbraw/zinc/07/64/21/283076421.db2.gz LRXBTIIICDSPNH-CGTJXYLNSA-N 2 1 323.912 3.440 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103910 283076422 /nfs/dbraw/zinc/07/64/22/283076422.db2.gz LRXBTIIICDSPNH-CGTJXYLNSA-N 2 1 323.912 3.440 20 0 DGADMP CCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164514066 432049376 /nfs/dbraw/zinc/04/93/76/432049376.db2.gz WMVAHSHEQHXRQP-MRXNPFEDSA-N 2 1 316.445 3.426 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000164684875 432050761 /nfs/dbraw/zinc/05/07/61/432050761.db2.gz GADOKFSGAVTGDE-AWEZNQCLSA-N 2 1 317.433 3.340 20 0 DGADMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000166132841 432058906 /nfs/dbraw/zinc/05/89/06/432058906.db2.gz IQLSWRZKZOUNKH-UWVAXJGDSA-N 2 1 314.473 3.228 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857169 432066903 /nfs/dbraw/zinc/06/69/03/432066903.db2.gz FYLMHXSAEGCEMJ-DFEOGRTESA-N 2 1 317.521 3.434 20 0 DGADMP C[N@H+](CCc1cccnc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179395230 199028553 /nfs/dbraw/zinc/02/85/53/199028553.db2.gz BWKLUBDXAOTFNY-UHFFFAOYSA-N 2 1 324.472 3.258 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1F ZINC000180403076 199154234 /nfs/dbraw/zinc/15/42/34/199154234.db2.gz LTPHEKAMMDAUBE-SFHVURJKSA-N 2 1 308.441 3.367 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000237351107 202241374 /nfs/dbraw/zinc/24/13/74/202241374.db2.gz UZRIDEWSXKNOAK-AWEZNQCLSA-N 2 1 309.417 3.008 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000237413040 202257534 /nfs/dbraw/zinc/25/75/34/202257534.db2.gz ZFIPAJHJVFUCKG-AWEZNQCLSA-N 2 1 313.445 3.331 20 0 DGADMP CCn1c2ccccc2c2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC000415042829 237027073 /nfs/dbraw/zinc/02/70/73/237027073.db2.gz SWHVCABVAWPLAN-YRWFTTLQSA-N 2 1 305.425 3.122 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415039643 237027088 /nfs/dbraw/zinc/02/70/88/237027088.db2.gz JJUQZIMMWLDRKY-GOEBONIOSA-N 2 1 310.388 3.252 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415039052 237028300 /nfs/dbraw/zinc/02/83/00/237028300.db2.gz IQQFJRNCSRRVLF-IRXDYDNUSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1ccccc1OCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415088288 237066806 /nfs/dbraw/zinc/06/68/06/237066806.db2.gz WGEGRSNFNDMEMR-RBUKOAKNSA-N 2 1 310.441 3.457 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000180406611 432084823 /nfs/dbraw/zinc/08/48/23/432084823.db2.gz FKMTVOWXSWNTNW-GOSISDBHSA-N 2 1 304.503 3.479 20 0 DGADMP C[C@@H](C[NH2+][C@H](c1cncc(F)c1)C1CC1)C[NH+]1CCCCC1 ZINC000281101774 216079718 /nfs/dbraw/zinc/07/97/18/216079718.db2.gz BNSFODIQNZWNCC-KSSFIOAISA-N 2 1 305.441 3.383 20 0 DGADMP Clc1ccc2[nH+]ccc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000188495976 200255974 /nfs/dbraw/zinc/25/59/74/200255974.db2.gz QBRRGOCVSSUQHO-UHFFFAOYSA-N 2 1 305.809 3.022 20 0 DGADMP Clc1ccc2[nH+]ccc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000188495976 200255976 /nfs/dbraw/zinc/25/59/76/200255976.db2.gz QBRRGOCVSSUQHO-UHFFFAOYSA-N 2 1 305.809 3.022 20 0 DGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186997 237830651 /nfs/dbraw/zinc/83/06/51/237830651.db2.gz KSLXHRZVJSPFHU-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281151421 216113941 /nfs/dbraw/zinc/11/39/41/216113941.db2.gz GOCUWBHZGJODRX-FUHWJXTLSA-N 2 1 301.478 3.490 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281172290 216128615 /nfs/dbraw/zinc/12/86/15/216128615.db2.gz HWVBQUBMVYBYNS-GOSISDBHSA-N 2 1 305.441 3.383 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C(C)C)cc32)CC1 ZINC000427878005 238004679 /nfs/dbraw/zinc/00/46/79/238004679.db2.gz ZHILKOMWDHSWPY-HXUWFJFHSA-N 2 1 316.489 3.498 20 0 DGADMP COCC[NH+]1CCC([NH2+]CCCCCc2ccc(F)cc2)CC1 ZINC000427839128 238003630 /nfs/dbraw/zinc/00/36/30/238003630.db2.gz DCBSNAJBPUTJIE-UHFFFAOYSA-N 2 1 322.468 3.239 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000428037232 238007302 /nfs/dbraw/zinc/00/73/02/238007302.db2.gz JINPDSLQVVYQGB-ICSRJNTNSA-N 2 1 310.441 3.293 20 0 DGADMP C[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226752 238012408 /nfs/dbraw/zinc/01/24/08/238012408.db2.gz HLUYTMCTBKVEQN-GSEOLPGOSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429535312 238053780 /nfs/dbraw/zinc/05/37/80/238053780.db2.gz BEGJPBNUNNXSGG-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593253 238080895 /nfs/dbraw/zinc/08/08/95/238080895.db2.gz SAVMTOMWWKEHMK-QGZVFWFLSA-N 2 1 323.440 3.105 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593253 238080896 /nfs/dbraw/zinc/08/08/96/238080896.db2.gz SAVMTOMWWKEHMK-QGZVFWFLSA-N 2 1 323.440 3.105 20 0 DGADMP Clc1cnccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134927853 432091552 /nfs/dbraw/zinc/09/15/52/432091552.db2.gz NHBMEYFYWDJMJD-RHSMWYFYSA-N 2 1 305.853 3.184 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000435374677 238297004 /nfs/dbraw/zinc/29/70/04/238297004.db2.gz JPZBZBTXOLPVBC-UHFFFAOYSA-N 2 1 318.852 3.066 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435389012 238299690 /nfs/dbraw/zinc/29/96/90/238299690.db2.gz KCFAJTCPWQYAAK-LBPRGKRZSA-N 2 1 313.426 3.337 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435389012 238299705 /nfs/dbraw/zinc/29/97/05/238299705.db2.gz KCFAJTCPWQYAAK-LBPRGKRZSA-N 2 1 313.426 3.337 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)sc1Br ZINC000435438084 238307779 /nfs/dbraw/zinc/30/77/79/238307779.db2.gz NPRCAXBFLHQTQT-NSHDSACASA-N 2 1 317.296 3.393 20 0 DGADMP C=Cn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000194048977 201170240 /nfs/dbraw/zinc/17/02/40/201170240.db2.gz PGDFPFWPZJIHDY-KRWDZBQOSA-N 2 1 316.493 3.460 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2ccccc2)CC1 ZINC000268504851 432097367 /nfs/dbraw/zinc/09/73/67/432097367.db2.gz ARWADMHKIKZJEV-GOSISDBHSA-N 2 1 301.478 3.073 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000268504851 432097370 /nfs/dbraw/zinc/09/73/70/432097370.db2.gz ARWADMHKIKZJEV-GOSISDBHSA-N 2 1 301.478 3.073 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000268504851 432097373 /nfs/dbraw/zinc/09/73/73/432097373.db2.gz ARWADMHKIKZJEV-GOSISDBHSA-N 2 1 301.478 3.073 20 0 DGADMP COc1cccc(CCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441370877 239042775 /nfs/dbraw/zinc/04/27/75/239042775.db2.gz RYHHQQVNACODNW-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP COc1cccc(CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441370877 239042779 /nfs/dbraw/zinc/04/27/79/239042779.db2.gz RYHHQQVNACODNW-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP COc1cccc(CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441370877 239042783 /nfs/dbraw/zinc/04/27/83/239042783.db2.gz RYHHQQVNACODNW-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCCC1 ZINC000281545329 216374801 /nfs/dbraw/zinc/37/48/01/216374801.db2.gz IWNMPEKRXVGPDU-KRWDZBQOSA-N 2 1 305.441 3.383 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000442771046 239120801 /nfs/dbraw/zinc/12/08/01/239120801.db2.gz OZSVLCRDOYPGBB-QGZVFWFLSA-N 2 1 322.412 3.041 20 0 DGADMP COCC[N@H+](C)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000443446618 239201210 /nfs/dbraw/zinc/20/12/10/239201210.db2.gz MSNZCWJSRIMVNS-UHFFFAOYSA-N 2 1 307.825 3.268 20 0 DGADMP COCC[N@@H+](C)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000443446618 239201213 /nfs/dbraw/zinc/20/12/13/239201213.db2.gz MSNZCWJSRIMVNS-UHFFFAOYSA-N 2 1 307.825 3.268 20 0 DGADMP C[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)[NH+](C)C ZINC000443436135 239202123 /nfs/dbraw/zinc/20/21/23/239202123.db2.gz KZCTWUNPSJXUDA-JTQLQIEISA-N 2 1 308.223 3.359 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443963412 239242258 /nfs/dbraw/zinc/24/22/58/239242258.db2.gz HXKAEOAFCUHSQX-VIFPVBQESA-N 2 1 318.368 3.093 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000195443886 201391226 /nfs/dbraw/zinc/39/12/26/201391226.db2.gz CFFZYVZOZOLIJC-MRXNPFEDSA-N 2 1 322.880 3.239 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271834862 209255039 /nfs/dbraw/zinc/25/50/39/209255039.db2.gz FSBKUGUUUPVGAC-JTQLQIEISA-N 2 1 314.260 3.488 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000275486484 212364244 /nfs/dbraw/zinc/36/42/44/212364244.db2.gz ITFMMZFKONWPGQ-STQMWFEESA-N 2 1 321.371 3.398 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2)[C@@H](C)C1 ZINC000449138110 240035287 /nfs/dbraw/zinc/03/52/87/240035287.db2.gz HFHPKOOPQKNPQY-WMLDXEAASA-N 2 1 310.507 3.283 20 0 DGADMP COc1cc(F)cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000449082964 240008977 /nfs/dbraw/zinc/00/89/77/240008977.db2.gz RFRZEFAWEMYOIH-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000449092022 240013028 /nfs/dbraw/zinc/01/30/28/240013028.db2.gz KZCFGVVUCPOUCX-CVEARBPZSA-N 2 1 317.477 3.388 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449400705 240176564 /nfs/dbraw/zinc/17/65/64/240176564.db2.gz CPWMQBDKRHVLOI-PXNSSMCTSA-N 2 1 309.457 3.390 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000449400492 240177979 /nfs/dbraw/zinc/17/79/79/240177979.db2.gz IXSMWOCQPAEXRC-AZUAARDMSA-N 2 1 316.489 3.271 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000449402633 240180378 /nfs/dbraw/zinc/18/03/78/240180378.db2.gz SDUOUKMHVBTOSC-BLLLJJGKSA-N 2 1 314.832 3.178 20 0 DGADMP COC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000449478995 240234182 /nfs/dbraw/zinc/23/41/82/240234182.db2.gz LEAIBGJWAMDGIK-SZMVWBNQSA-N 2 1 322.880 3.286 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521968 240263708 /nfs/dbraw/zinc/26/37/08/240263708.db2.gz JPIKEASACYKFMY-QXCFHYIPSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521968 240263715 /nfs/dbraw/zinc/26/37/15/240263715.db2.gz JPIKEASACYKFMY-QXCFHYIPSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521967 240264523 /nfs/dbraw/zinc/26/45/23/240264523.db2.gz JPIKEASACYKFMY-NXWXRZEISA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521967 240264526 /nfs/dbraw/zinc/26/45/26/240264526.db2.gz JPIKEASACYKFMY-NXWXRZEISA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)sc2C1 ZINC000449740298 240392273 /nfs/dbraw/zinc/39/22/73/240392273.db2.gz FTOSHBVYFPMUAM-KBPBESRZSA-N 2 1 305.491 3.045 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)sc2C1 ZINC000449740298 240392282 /nfs/dbraw/zinc/39/22/82/240392282.db2.gz FTOSHBVYFPMUAM-KBPBESRZSA-N 2 1 305.491 3.045 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000092066679 193151530 /nfs/dbraw/zinc/15/15/30/193151530.db2.gz WHPKRZNCPOJWSZ-IEBWSBKVSA-N 2 1 312.457 3.070 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000092066679 193151532 /nfs/dbraw/zinc/15/15/32/193151532.db2.gz WHPKRZNCPOJWSZ-IEBWSBKVSA-N 2 1 312.457 3.070 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000092066679 193151534 /nfs/dbraw/zinc/15/15/34/193151534.db2.gz WHPKRZNCPOJWSZ-IEBWSBKVSA-N 2 1 312.457 3.070 20 0 DGADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000092066636 193152082 /nfs/dbraw/zinc/15/20/82/193152082.db2.gz VSLSTRYTGQUVFI-QUCCMNQESA-N 2 1 324.468 3.411 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000092066636 193152084 /nfs/dbraw/zinc/15/20/84/193152084.db2.gz VSLSTRYTGQUVFI-QUCCMNQESA-N 2 1 324.468 3.411 20 0 DGADMP c1ccc2c(c1)C=C(C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CO2 ZINC000092066636 193152086 /nfs/dbraw/zinc/15/20/86/193152086.db2.gz VSLSTRYTGQUVFI-QUCCMNQESA-N 2 1 324.468 3.411 20 0 DGADMP c1ccc2c(c1)C=C(C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)CO2 ZINC000092066636 193152091 /nfs/dbraw/zinc/15/20/91/193152091.db2.gz VSLSTRYTGQUVFI-QUCCMNQESA-N 2 1 324.468 3.411 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CCC[NH+]2CCCCC2)c1C ZINC000451370447 241098500 /nfs/dbraw/zinc/09/85/00/241098500.db2.gz BMNZFBNDBDIYRU-UHFFFAOYSA-N 2 1 305.466 3.015 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246241041 432110430 /nfs/dbraw/zinc/11/04/30/432110430.db2.gz RSALAOVKSACADO-SWLSCSKDSA-N 2 1 316.367 3.405 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000091469889 284001069 /nfs/dbraw/zinc/00/10/69/284001069.db2.gz NUULSZJWNFSWKW-CQSZACIVSA-N 2 1 311.267 3.189 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459349511 243344528 /nfs/dbraw/zinc/34/45/28/243344528.db2.gz FDFLFISXZRTFQI-INIZCTEOSA-N 2 1 318.452 3.245 20 0 DGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c(F)c1 ZINC000459442727 243372793 /nfs/dbraw/zinc/37/27/93/243372793.db2.gz PLMSVOHWAHTVSY-UHFFFAOYSA-N 2 1 306.400 3.213 20 0 DGADMP CC(C)OC1CC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000459447925 243373861 /nfs/dbraw/zinc/37/38/61/243373861.db2.gz VNFCUQJUDFFXEE-VCWRXUFXSA-N 2 1 314.473 3.006 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000459640607 243441557 /nfs/dbraw/zinc/44/15/57/243441557.db2.gz XHOLWQCSCQVOBG-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000459640607 243441561 /nfs/dbraw/zinc/44/15/61/243441561.db2.gz XHOLWQCSCQVOBG-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000459793156 243503779 /nfs/dbraw/zinc/50/37/79/243503779.db2.gz SXRGIZAIHMAVMM-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP COC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000459690099 243461088 /nfs/dbraw/zinc/46/10/88/243461088.db2.gz TZMSUTDHAPJKMW-UHFFFAOYSA-N 2 1 316.489 3.241 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000246311303 432118716 /nfs/dbraw/zinc/11/87/16/432118716.db2.gz DSKQGOPEXKCKMW-HZPDHXFCSA-N 2 1 318.461 3.434 20 0 DGADMP CCCc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000181202742 432119285 /nfs/dbraw/zinc/11/92/85/432119285.db2.gz JQBZIQRDHSSABF-UHFFFAOYSA-N 2 1 317.521 3.097 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCCC(C)C ZINC000469860073 244130865 /nfs/dbraw/zinc/13/08/65/244130865.db2.gz FAUTXVGPRJJJEG-DOTOQJQBSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cccc(Br)c1 ZINC000469885781 244132034 /nfs/dbraw/zinc/13/20/34/244132034.db2.gz VTFBJHVPIQOIPB-WXYCVUISSA-N 2 1 323.278 3.222 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000470200841 244159677 /nfs/dbraw/zinc/15/96/77/244159677.db2.gz OEMCGJNHSOCHQJ-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000470200841 244159681 /nfs/dbraw/zinc/15/96/81/244159681.db2.gz OEMCGJNHSOCHQJ-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000470200841 244159687 /nfs/dbraw/zinc/15/96/87/244159687.db2.gz OEMCGJNHSOCHQJ-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000470200841 244159690 /nfs/dbraw/zinc/15/96/90/244159690.db2.gz OEMCGJNHSOCHQJ-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839867 244257580 /nfs/dbraw/zinc/25/75/80/244257580.db2.gz PROIVWAVUKJICY-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839867 244257583 /nfs/dbraw/zinc/25/75/83/244257583.db2.gz PROIVWAVUKJICY-PKOBYXMFSA-N 2 1 313.445 3.155 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-c2ccncc2)cc1 ZINC000471757054 244242646 /nfs/dbraw/zinc/24/26/46/244242646.db2.gz GKTIOOJIDNRHOL-HNNXBMFYSA-N 2 1 306.413 3.375 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000472357056 244302050 /nfs/dbraw/zinc/30/20/50/244302050.db2.gz XTONDTDIUWKPLV-SJLPKXTDSA-N 2 1 315.486 3.315 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000474069586 244365725 /nfs/dbraw/zinc/36/57/25/244365725.db2.gz WKFPHNCFYXOHBQ-FUMNGEBKSA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000474069586 244365728 /nfs/dbraw/zinc/36/57/28/244365728.db2.gz WKFPHNCFYXOHBQ-FUMNGEBKSA-N 2 1 320.521 3.436 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010752 212072170 /nfs/dbraw/zinc/07/21/70/212072170.db2.gz JHQWHFVNGAHHOX-IUODEOHRSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010752 212072171 /nfs/dbraw/zinc/07/21/71/212072171.db2.gz JHQWHFVNGAHHOX-IUODEOHRSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010752 212072175 /nfs/dbraw/zinc/07/21/75/212072175.db2.gz JHQWHFVNGAHHOX-IUODEOHRSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010752 212072177 /nfs/dbraw/zinc/07/21/77/212072177.db2.gz JHQWHFVNGAHHOX-IUODEOHRSA-N 2 1 316.367 3.357 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)c1 ZINC000093563653 193267981 /nfs/dbraw/zinc/26/79/81/193267981.db2.gz OIZZKRZBUZYMFO-LJQANCHMSA-N 2 1 324.472 3.323 20 0 DGADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262717638 203392353 /nfs/dbraw/zinc/39/23/53/203392353.db2.gz WJRVELPMBXTFFM-PBHICJAKSA-N 2 1 303.450 3.127 20 0 DGADMP CC1(C)Cc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2O1 ZINC000093597408 193272801 /nfs/dbraw/zinc/27/28/01/193272801.db2.gz JMRBJFHDTMSQIW-MRXNPFEDSA-N 2 1 314.473 3.318 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2O1 ZINC000093597408 193272802 /nfs/dbraw/zinc/27/28/02/193272802.db2.gz JMRBJFHDTMSQIW-MRXNPFEDSA-N 2 1 314.473 3.318 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770112 193302574 /nfs/dbraw/zinc/30/25/74/193302574.db2.gz IICPCRKQTSCMOS-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770112 193302576 /nfs/dbraw/zinc/30/25/76/193302576.db2.gz IICPCRKQTSCMOS-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770112 193302578 /nfs/dbraw/zinc/30/25/78/193302578.db2.gz IICPCRKQTSCMOS-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093770112 193302580 /nfs/dbraw/zinc/30/25/80/193302580.db2.gz IICPCRKQTSCMOS-OAHLLOKOSA-N 2 1 312.404 3.104 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683496 193288600 /nfs/dbraw/zinc/28/86/00/193288600.db2.gz ITQDNWXUFUUZBH-KRWDZBQOSA-N 2 1 324.472 3.385 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683496 193288602 /nfs/dbraw/zinc/28/86/02/193288602.db2.gz ITQDNWXUFUUZBH-KRWDZBQOSA-N 2 1 324.472 3.385 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996633 193336979 /nfs/dbraw/zinc/33/69/79/193336979.db2.gz XXYRJMMWFDVARA-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP CC[N@H+](Cc1cccc(Br)c1)CC1CC[NH2+]CC1 ZINC000094011187 193338701 /nfs/dbraw/zinc/33/87/01/193338701.db2.gz DYDNTNXIPRAEGK-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093981790 193333768 /nfs/dbraw/zinc/33/37/68/193333768.db2.gz SOMGYKXMZVLTFS-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093981790 193333769 /nfs/dbraw/zinc/33/37/69/193333769.db2.gz SOMGYKXMZVLTFS-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000135475612 432121486 /nfs/dbraw/zinc/12/14/86/432121486.db2.gz FESVWZXRWHNSFS-WFASDCNBSA-N 2 1 311.267 3.187 20 0 DGADMP C[C@@H]1C[C@@H](NCc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122296129 284216589 /nfs/dbraw/zinc/21/65/89/284216589.db2.gz AFTGCJGRTSNTBZ-BXUZGUMPSA-N 2 1 309.251 3.164 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911353 212026725 /nfs/dbraw/zinc/02/67/25/212026725.db2.gz NFTZQLKKUWBQRS-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000488421984 245187913 /nfs/dbraw/zinc/18/79/13/245187913.db2.gz UHLZJMRLGFIVAB-JEWRLFTDSA-N 2 1 302.462 3.041 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000488727458 245222796 /nfs/dbraw/zinc/22/27/96/245222796.db2.gz FDBQMQVOAPLOPV-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000488727458 245222801 /nfs/dbraw/zinc/22/28/01/245222801.db2.gz FDBQMQVOAPLOPV-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000488727458 245222804 /nfs/dbraw/zinc/22/28/04/245222804.db2.gz FDBQMQVOAPLOPV-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCOC1 ZINC000124333410 284257321 /nfs/dbraw/zinc/25/73/21/284257321.db2.gz UHRRZYPMQZPMIH-AFYVEPGGSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCOC1 ZINC000124333410 284257326 /nfs/dbraw/zinc/25/73/26/284257326.db2.gz UHRRZYPMQZPMIH-AFYVEPGGSA-N 2 1 316.489 3.444 20 0 DGADMP COCCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000282475306 217022960 /nfs/dbraw/zinc/02/29/60/217022960.db2.gz WPWHYDUYVSGZBG-GOSISDBHSA-N 2 1 306.425 3.145 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000282484690 217031308 /nfs/dbraw/zinc/03/13/08/217031308.db2.gz QMLGFUUZYUWLDO-IRXDYDNUSA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000282484690 217031310 /nfs/dbraw/zinc/03/13/10/217031310.db2.gz QMLGFUUZYUWLDO-IRXDYDNUSA-N 2 1 304.503 3.382 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282573175 217097730 /nfs/dbraw/zinc/09/77/30/217097730.db2.gz ZBNDRDQAXZTKQW-JFIYKMOQSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282573175 217097733 /nfs/dbraw/zinc/09/77/33/217097733.db2.gz ZBNDRDQAXZTKQW-JFIYKMOQSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)OCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000127090505 284326978 /nfs/dbraw/zinc/32/69/78/284326978.db2.gz BXVZVGSSIJHABJ-UHFFFAOYSA-N 2 1 318.505 3.488 20 0 DGADMP c1c[nH]c([C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc2)n1 ZINC000127456206 284340315 /nfs/dbraw/zinc/34/03/15/284340315.db2.gz BJSVCPQWLXQGNM-OALUTQOASA-N 2 1 324.472 3.353 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000266144733 205133970 /nfs/dbraw/zinc/13/39/70/205133970.db2.gz ILZNMCRIWJXRDD-GDBMZVCRSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000266144733 205133973 /nfs/dbraw/zinc/13/39/73/205133973.db2.gz ILZNMCRIWJXRDD-GDBMZVCRSA-N 2 1 306.450 3.056 20 0 DGADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128284919 284370191 /nfs/dbraw/zinc/37/01/91/284370191.db2.gz ZFELERYIICGMIH-RBUKOAKNSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H](CCC1CCCCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128333489 284371673 /nfs/dbraw/zinc/37/16/73/284371673.db2.gz FACRVFVNXXVOAO-GOSISDBHSA-N 2 1 309.542 3.353 20 0 DGADMP CCCc1csc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000494388439 246142780 /nfs/dbraw/zinc/14/27/80/246142780.db2.gz VUBHTMDKJVQRIG-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000494514702 246158493 /nfs/dbraw/zinc/15/84/93/246158493.db2.gz OMNIEKMDHVYPSF-LZLYRXPVSA-N 2 1 304.478 3.391 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462545 206083868 /nfs/dbraw/zinc/08/38/68/206083868.db2.gz SNHYITABDBQUQX-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462545 206083871 /nfs/dbraw/zinc/08/38/71/206083871.db2.gz SNHYITABDBQUQX-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462545 206083876 /nfs/dbraw/zinc/08/38/76/206083876.db2.gz SNHYITABDBQUQX-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462545 206083880 /nfs/dbraw/zinc/08/38/80/206083880.db2.gz SNHYITABDBQUQX-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494887751 246206306 /nfs/dbraw/zinc/20/63/06/246206306.db2.gz FGITWNTWBCAKJB-FRQCXROJSA-N 2 1 320.452 3.225 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1 ZINC000268788865 432134775 /nfs/dbraw/zinc/13/47/75/432134775.db2.gz CEUXGOZVGNUQGV-LSDHHAIUSA-N 2 1 309.417 3.117 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268791107 432134799 /nfs/dbraw/zinc/13/47/99/432134799.db2.gz GEYKMEOZOWGFOI-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268791107 432134801 /nfs/dbraw/zinc/13/48/01/432134801.db2.gz GEYKMEOZOWGFOI-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@H+](C/C=C\c3ccncc3)C2)[nH+]1 ZINC000494947698 246214384 /nfs/dbraw/zinc/21/43/84/246214384.db2.gz AWPSDQUHPPPGAK-LKIHTYOGSA-N 2 1 308.429 3.232 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@@H+](C/C=C\c3ccncc3)C2)[nH+]1 ZINC000494947698 246214388 /nfs/dbraw/zinc/21/43/88/246214388.db2.gz AWPSDQUHPPPGAK-LKIHTYOGSA-N 2 1 308.429 3.232 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000495045384 246226093 /nfs/dbraw/zinc/22/60/93/246226093.db2.gz LWEWFWKBWYMWNQ-RGCFKVTRSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@H+]1C ZINC000495045384 246226094 /nfs/dbraw/zinc/22/60/94/246226094.db2.gz LWEWFWKBWYMWNQ-RGCFKVTRSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268791114 432135297 /nfs/dbraw/zinc/13/52/97/432135297.db2.gz GEYKMEOZOWGFOI-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268791114 432135302 /nfs/dbraw/zinc/13/53/02/432135302.db2.gz GEYKMEOZOWGFOI-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268803222 432138761 /nfs/dbraw/zinc/13/87/61/432138761.db2.gz ZIVBESJENQYFGV-KFKAGJAMSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268803222 432138765 /nfs/dbraw/zinc/13/87/65/432138765.db2.gz ZIVBESJENQYFGV-KFKAGJAMSA-N 2 1 302.462 3.233 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)[C@@H](C)C1 ZINC000268818333 432140797 /nfs/dbraw/zinc/14/07/97/432140797.db2.gz OMHQGGVTFPNUCA-GUYCJALGSA-N 2 1 303.425 3.169 20 0 DGADMP CC[NH+]1CCC([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000268820034 432142786 /nfs/dbraw/zinc/14/27/86/432142786.db2.gz LKPALGBGKYIHPJ-UHFFFAOYSA-N 2 1 316.367 3.158 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246534853 432142661 /nfs/dbraw/zinc/14/26/61/432142661.db2.gz VNJZBEDWVFNKOU-HDMKZQKVSA-N 2 1 304.478 3.291 20 0 DGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000268887159 432145985 /nfs/dbraw/zinc/14/59/85/432145985.db2.gz NZXZVCUECVIKCI-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000268887159 432145990 /nfs/dbraw/zinc/14/59/90/432145990.db2.gz NZXZVCUECVIKCI-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000268911048 432147095 /nfs/dbraw/zinc/14/70/95/432147095.db2.gz MXGUGESZUPXIMA-XPGWFJOJSA-N 2 1 312.457 3.193 20 0 DGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181902011 432148427 /nfs/dbraw/zinc/14/84/27/432148427.db2.gz DZCOCUVUWPXLRZ-KRWDZBQOSA-N 2 1 324.509 3.449 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268952549 432148534 /nfs/dbraw/zinc/14/85/34/432148534.db2.gz CQCAMCVNEXCYSC-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268952549 432148539 /nfs/dbraw/zinc/14/85/39/432148539.db2.gz CQCAMCVNEXCYSC-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000042427563 183269378 /nfs/dbraw/zinc/26/93/78/183269378.db2.gz JBMZVUHKWXDVGN-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1Br ZINC000105443161 194104005 /nfs/dbraw/zinc/10/40/05/194104005.db2.gz QSWPKGRUZJWZQY-GFCCVEGCSA-N 2 1 322.250 3.380 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163784 194188966 /nfs/dbraw/zinc/18/89/66/194188966.db2.gz ZRGFTFYXHGHAGU-AEFFLSMTSA-N 2 1 319.493 3.270 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@@H](C)C1 ZINC000268834623 207001310 /nfs/dbraw/zinc/00/13/10/207001310.db2.gz UCFWORITCMGHFC-RDJZCZTQSA-N 2 1 302.462 3.047 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268843582 207010752 /nfs/dbraw/zinc/01/07/52/207010752.db2.gz AWHOXATVYDTIAX-KDOFPFPSSA-N 2 1 301.434 3.382 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1Cl ZINC000268850927 207017801 /nfs/dbraw/zinc/01/78/01/207017801.db2.gz YBGSBANJXKXMOC-NSHDSACASA-N 2 1 323.824 3.213 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000268852017 207021077 /nfs/dbraw/zinc/02/10/77/207021077.db2.gz WRIIDNLMNTWKND-HOTGVXAUSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422867859 296314015 /nfs/dbraw/zinc/31/40/15/296314015.db2.gz TYXPLAWRHJIFEB-LSTHTHJFSA-N 3 1 315.505 3.278 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000245913982 284854000 /nfs/dbraw/zinc/85/40/00/284854000.db2.gz PRKZWOYGFBAXHA-MLHJIOFPSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268860790 207029453 /nfs/dbraw/zinc/02/94/53/207029453.db2.gz GADWOANETBLVKB-NXHRZFHOSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268860790 207029455 /nfs/dbraw/zinc/02/94/55/207029455.db2.gz GADWOANETBLVKB-NXHRZFHOSA-N 2 1 304.478 3.036 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000268898318 207067744 /nfs/dbraw/zinc/06/77/44/207067744.db2.gz WANJPWZBAGSAGH-LBPRGKRZSA-N 2 1 321.396 3.089 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268889168 207059435 /nfs/dbraw/zinc/05/94/35/207059435.db2.gz NLZCHMGSMANABT-OGWHTMIXSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268889168 207059437 /nfs/dbraw/zinc/05/94/37/207059437.db2.gz NLZCHMGSMANABT-OGWHTMIXSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000268902711 207070467 /nfs/dbraw/zinc/07/04/67/207070467.db2.gz RJJOZGARVAZEEJ-DYESRHJHSA-N 2 1 324.468 3.179 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000268922995 207089240 /nfs/dbraw/zinc/08/92/40/207089240.db2.gz XFLOQQURFZBJKB-QAPCUYQASA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000268966989 207131247 /nfs/dbraw/zinc/13/12/47/207131247.db2.gz YQYIMOGAJCYNBB-PBHICJAKSA-N 2 1 310.869 3.228 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268993898 207152358 /nfs/dbraw/zinc/15/23/58/207152358.db2.gz SAFIRVRDDWDKKJ-GGPKGHCWSA-N 2 1 318.505 3.285 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269091118 207234293 /nfs/dbraw/zinc/23/42/93/207234293.db2.gz QOWMMQBAPNQMQC-ZHALLVOQSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269091118 207234297 /nfs/dbraw/zinc/23/42/97/207234297.db2.gz QOWMMQBAPNQMQC-ZHALLVOQSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)CC1CC[NH+](C)CC1 ZINC000063121414 184271696 /nfs/dbraw/zinc/27/16/96/184271696.db2.gz HPWKNOBUOLZKJW-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCS2 ZINC000248795974 285026525 /nfs/dbraw/zinc/02/65/25/285026525.db2.gz FCEODFJRYMHVOU-CJNGLKHVSA-N 2 1 306.475 3.164 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C ZINC000249048850 285049858 /nfs/dbraw/zinc/04/98/58/285049858.db2.gz WVCJGHRVHQRJDD-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C ZINC000249048850 285049862 /nfs/dbraw/zinc/04/98/62/285049862.db2.gz WVCJGHRVHQRJDD-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C ZINC000249048850 285049867 /nfs/dbraw/zinc/04/98/67/285049867.db2.gz WVCJGHRVHQRJDD-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccnn1C ZINC000249059317 285050858 /nfs/dbraw/zinc/05/08/58/285050858.db2.gz ZNUOEVSZVIICFQ-GRDNDAEWSA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccnn1C ZINC000249059317 285050862 /nfs/dbraw/zinc/05/08/62/285050862.db2.gz ZNUOEVSZVIICFQ-GRDNDAEWSA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCO2 ZINC000119943194 195067404 /nfs/dbraw/zinc/06/74/04/195067404.db2.gz PVSULJVJGAJVLG-CABCVRRESA-N 2 1 304.434 3.330 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCO2 ZINC000119943194 195067407 /nfs/dbraw/zinc/06/74/07/195067407.db2.gz PVSULJVJGAJVLG-CABCVRRESA-N 2 1 304.434 3.330 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000249113173 285056708 /nfs/dbraw/zinc/05/67/08/285056708.db2.gz YFMTXCDQBXJBJM-ZFWWWQNUSA-N 2 1 312.404 3.150 20 0 DGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000269987112 208039795 /nfs/dbraw/zinc/03/97/95/208039795.db2.gz SVNGNJOEINKEDX-JENIJYKNSA-N 2 1 300.446 3.363 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000249330907 285068966 /nfs/dbraw/zinc/06/89/66/285068966.db2.gz WERYPHXABSVYSA-HNBVOPMISA-N 2 1 317.521 3.388 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000337376665 253101186 /nfs/dbraw/zinc/10/11/86/253101186.db2.gz GYCUNPDXMCONHW-ZOBUZTSGSA-N 2 1 320.477 3.016 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000337376665 253101188 /nfs/dbraw/zinc/10/11/88/253101188.db2.gz GYCUNPDXMCONHW-ZOBUZTSGSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337393381 253105886 /nfs/dbraw/zinc/10/58/86/253105886.db2.gz ONPQQQCYAFOYFC-CVEARBPZSA-N 2 1 322.493 3.263 20 0 DGADMP CC(C)COCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000337457708 253120290 /nfs/dbraw/zinc/12/02/90/253120290.db2.gz ITTPZABWHPMKHX-UHFFFAOYSA-N 2 1 305.466 3.071 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000337344211 253093021 /nfs/dbraw/zinc/09/30/21/253093021.db2.gz SZRGSOJMBXQVNJ-YQVWRLOYSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000337344211 253093022 /nfs/dbraw/zinc/09/30/22/253093022.db2.gz SZRGSOJMBXQVNJ-YQVWRLOYSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337493170 253127101 /nfs/dbraw/zinc/12/71/01/253127101.db2.gz AXQSOONQDWVJBS-DYVFJYSZSA-N 2 1 303.425 3.169 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338023558 253211639 /nfs/dbraw/zinc/21/16/39/253211639.db2.gz SQGUBXRJFNIWQE-CABCVRRESA-N 2 1 301.434 3.372 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000338024858 253212325 /nfs/dbraw/zinc/21/23/25/253212325.db2.gz ZXOZRCTXSIXFCP-CQSZACIVSA-N 2 1 317.433 3.258 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338200041 253241188 /nfs/dbraw/zinc/24/11/88/253241188.db2.gz YACXJXIOPFMMEX-VAMGGRTRSA-N 2 1 324.472 3.223 20 0 DGADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000338294651 253259211 /nfs/dbraw/zinc/25/92/11/253259211.db2.gz KSSZPFQDLDXDRF-QUCCMNQESA-N 2 1 317.521 3.219 20 0 DGADMP C[C@@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000338216602 253244379 /nfs/dbraw/zinc/24/43/79/253244379.db2.gz QXAVHIFNFYUAJS-PXNSSMCTSA-N 2 1 324.472 3.082 20 0 DGADMP C[C@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000338217373 253244852 /nfs/dbraw/zinc/24/48/52/253244852.db2.gz QXAVHIFNFYUAJS-XLIONFOSSA-N 2 1 324.472 3.082 20 0 DGADMP COC1(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCC1 ZINC000339009375 253389599 /nfs/dbraw/zinc/38/95/99/253389599.db2.gz BFDWXYUPKOYEFE-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000339175882 253421578 /nfs/dbraw/zinc/42/15/78/253421578.db2.gz WPRAMBBCWMIVNZ-RDJZCZTQSA-N 2 1 322.493 3.105 20 0 DGADMP c1sc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1C1CC1 ZINC000342687620 254032902 /nfs/dbraw/zinc/03/29/02/254032902.db2.gz BVBLOINSBPLJOB-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCCn2ccnc2C)cc1 ZINC000342876697 254069743 /nfs/dbraw/zinc/06/97/43/254069743.db2.gz SYLNRLLWRUDRSI-MRXNPFEDSA-N 2 1 315.461 3.401 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000342876697 254069746 /nfs/dbraw/zinc/06/97/46/254069746.db2.gz SYLNRLLWRUDRSI-MRXNPFEDSA-N 2 1 315.461 3.401 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000342876697 254069748 /nfs/dbraw/zinc/06/97/48/254069748.db2.gz SYLNRLLWRUDRSI-MRXNPFEDSA-N 2 1 315.461 3.401 20 0 DGADMP CCC1CC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000342738588 254040096 /nfs/dbraw/zinc/04/00/96/254040096.db2.gz SEEYYTSMMHCAAF-LYGPFTKASA-N 2 1 302.462 3.186 20 0 DGADMP CCC1CC([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000342738588 254040097 /nfs/dbraw/zinc/04/00/97/254040097.db2.gz SEEYYTSMMHCAAF-LYGPFTKASA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1ccnc1 ZINC000342746735 254041813 /nfs/dbraw/zinc/04/18/13/254041813.db2.gz GXIXTTFRCNKRKZ-IUODEOHRSA-N 2 1 302.447 3.300 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1ccnc1 ZINC000342746735 254041814 /nfs/dbraw/zinc/04/18/14/254041814.db2.gz GXIXTTFRCNKRKZ-IUODEOHRSA-N 2 1 302.447 3.300 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000342759186 254044526 /nfs/dbraw/zinc/04/45/26/254044526.db2.gz PGPLHBHJUZLDSC-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP CCc1nc(N2CCC(CCC[NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC000342782783 254049614 /nfs/dbraw/zinc/04/96/14/254049614.db2.gz SMJHRZXKHZZPCC-UHFFFAOYSA-N 2 1 316.493 3.440 20 0 DGADMP Cc1cccc(CN(C)CCC[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000343732006 254181984 /nfs/dbraw/zinc/18/19/84/254181984.db2.gz HKNXWIVKIRGRDM-UHFFFAOYSA-N 2 1 312.461 3.047 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000344294443 254252430 /nfs/dbraw/zinc/25/24/30/254252430.db2.gz SJZIPICIAIYYOZ-IEBWSBKVSA-N 2 1 300.446 3.006 20 0 DGADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157146429 197165999 /nfs/dbraw/zinc/16/59/99/197165999.db2.gz VLHWEOSRYLOXFL-IBGZPJMESA-N 2 1 315.461 3.095 20 0 DGADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157146429 197166000 /nfs/dbraw/zinc/16/60/00/197166000.db2.gz VLHWEOSRYLOXFL-IBGZPJMESA-N 2 1 315.461 3.095 20 0 DGADMP Cc1cccc(N2CCC([NH2+]Cc3ccc(Cl)o3)CC2)[nH+]1 ZINC000344337007 254258961 /nfs/dbraw/zinc/25/89/61/254258961.db2.gz DDAVLXDXNFDJOE-UHFFFAOYSA-N 2 1 305.809 3.395 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000344493369 254277042 /nfs/dbraw/zinc/27/70/42/254277042.db2.gz FPYDTDYFMBQTQK-KZNAEPCWSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000344493369 254277043 /nfs/dbraw/zinc/27/70/43/254277043.db2.gz FPYDTDYFMBQTQK-KZNAEPCWSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344528606 254280093 /nfs/dbraw/zinc/28/00/93/254280093.db2.gz MGJMBNFHTNJAMJ-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344528606 254280095 /nfs/dbraw/zinc/28/00/95/254280095.db2.gz MGJMBNFHTNJAMJ-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000344690219 254296113 /nfs/dbraw/zinc/29/61/13/254296113.db2.gz WMGDYYLFPIPALC-MNOVXSKESA-N 2 1 317.296 3.391 20 0 DGADMP C[C@@H]1C[C@H](NCc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686407 254296214 /nfs/dbraw/zinc/29/62/14/254296214.db2.gz RDBCERGDKBMPPZ-VXGBXAGGSA-N 2 1 307.488 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CCN1C ZINC000344686407 254296215 /nfs/dbraw/zinc/29/62/15/254296215.db2.gz RDBCERGDKBMPPZ-VXGBXAGGSA-N 2 1 307.488 3.444 20 0 DGADMP CCCn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000344761243 254303309 /nfs/dbraw/zinc/30/33/09/254303309.db2.gz CFOUZLUGAQSILI-ROUUACIJSA-N 2 1 306.498 3.283 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000344798454 254307011 /nfs/dbraw/zinc/30/70/11/254307011.db2.gz CTMRQJKNCAIILW-QZTJIDSGSA-N 2 1 306.498 3.454 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261820015 285193474 /nfs/dbraw/zinc/19/34/74/285193474.db2.gz ARFHNWJJDFSQIA-RCCFBDPRSA-N 3 1 307.526 3.150 20 0 DGADMP O[C@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000345728335 254392035 /nfs/dbraw/zinc/39/20/35/254392035.db2.gz WKZTUAKFDYXCFR-MSOLQXFVSA-N 2 1 322.880 3.228 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278978559 285220740 /nfs/dbraw/zinc/22/07/40/285220740.db2.gz OKFVQSGUXAHQFE-NVXWUHKLSA-N 2 1 311.429 3.257 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294690155 224170536 /nfs/dbraw/zinc/17/05/36/224170536.db2.gz ANSOLXOLEMIXTH-HZMCUSHRSA-N 2 1 324.472 3.457 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000289584605 221086249 /nfs/dbraw/zinc/08/62/49/221086249.db2.gz HOXWBYZHTBUEOZ-AWEZNQCLSA-N 2 1 315.314 3.385 20 0 DGADMP C[C@@H]1C[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000322556495 285307719 /nfs/dbraw/zinc/30/77/19/285307719.db2.gz IGKCAKVCZCQMHN-MSOLQXFVSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@@H]1C[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000322556495 285307722 /nfs/dbraw/zinc/30/77/22/285307722.db2.gz IGKCAKVCZCQMHN-MSOLQXFVSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@H]1C[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@@H+]1C1CC1 ZINC000322556500 285307741 /nfs/dbraw/zinc/30/77/41/285307741.db2.gz IGKCAKVCZCQMHN-ROUUACIJSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@H]1C[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000322556500 285307743 /nfs/dbraw/zinc/30/77/43/285307743.db2.gz IGKCAKVCZCQMHN-ROUUACIJSA-N 2 1 319.537 3.390 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1O ZINC000289794707 221231580 /nfs/dbraw/zinc/23/15/80/221231580.db2.gz ONRQZSRLWYEENK-GJZGRUSLSA-N 2 1 306.450 3.173 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000289815693 221244981 /nfs/dbraw/zinc/24/49/81/221244981.db2.gz JAMHORLKWNZKOJ-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000289815693 221244984 /nfs/dbraw/zinc/24/49/84/221244984.db2.gz JAMHORLKWNZKOJ-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000289815693 221244987 /nfs/dbraw/zinc/24/49/87/221244987.db2.gz JAMHORLKWNZKOJ-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000289815693 221244989 /nfs/dbraw/zinc/24/49/89/221244989.db2.gz JAMHORLKWNZKOJ-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP O[C@@H](CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000289854518 221270752 /nfs/dbraw/zinc/27/07/52/221270752.db2.gz KWZDIMORLHTVDI-HOJAQTOUSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000289854518 221270753 /nfs/dbraw/zinc/27/07/53/221270753.db2.gz KWZDIMORLHTVDI-HOJAQTOUSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000289854518 221270757 /nfs/dbraw/zinc/27/07/57/221270757.db2.gz KWZDIMORLHTVDI-HOJAQTOUSA-N 2 1 314.473 3.059 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000349402905 285344114 /nfs/dbraw/zinc/34/41/14/285344114.db2.gz ABWCKFWNQWQLOV-UHFFFAOYSA-N 2 1 300.450 3.240 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000349402905 285344115 /nfs/dbraw/zinc/34/41/15/285344115.db2.gz ABWCKFWNQWQLOV-UHFFFAOYSA-N 2 1 300.450 3.240 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1F ZINC000352539678 285354633 /nfs/dbraw/zinc/35/46/33/285354633.db2.gz BRPTWKFBZNXJJJ-ZBFHGGJFSA-N 2 1 308.441 3.216 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121004497 195278586 /nfs/dbraw/zinc/27/85/86/195278586.db2.gz POHXBKPYLAGISX-IEBWSBKVSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000121004497 195278588 /nfs/dbraw/zinc/27/85/88/195278588.db2.gz POHXBKPYLAGISX-IEBWSBKVSA-N 2 1 324.472 3.206 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292893954 533338721 /nfs/dbraw/zinc/33/87/21/533338721.db2.gz ZHSQDIDVMZXTNY-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292893954 533338724 /nfs/dbraw/zinc/33/87/24/533338724.db2.gz ZHSQDIDVMZXTNY-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292893954 533338726 /nfs/dbraw/zinc/33/87/26/533338726.db2.gz ZHSQDIDVMZXTNY-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000296565948 533479113 /nfs/dbraw/zinc/47/91/13/533479113.db2.gz SOLOWNZFPKKAKC-KANFNMMFSA-N 2 1 316.489 3.321 20 0 DGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415079345 533501528 /nfs/dbraw/zinc/50/15/28/533501528.db2.gz JXXIPLSKHAQUAZ-ICSRJNTNSA-N 2 1 310.441 3.321 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000294936530 533645493 /nfs/dbraw/zinc/64/54/93/533645493.db2.gz ZWWNTJDNOQAPEA-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000294936530 533645500 /nfs/dbraw/zinc/64/55/00/533645500.db2.gz ZWWNTJDNOQAPEA-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP c1csc(-c2cnc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000357065285 285624908 /nfs/dbraw/zinc/62/49/08/285624908.db2.gz ACTGBTOXTUKCBY-CQSZACIVSA-N 2 1 317.458 3.225 20 0 DGADMP C[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000608565816 400086980 /nfs/dbraw/zinc/08/69/80/400086980.db2.gz YRBLWFGOPDPUEO-CRNKYXIYSA-N 2 1 314.564 3.194 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751076 400098063 /nfs/dbraw/zinc/09/80/63/400098063.db2.gz UENNFNDQIBBYMU-NSHGMRRFSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751076 400098064 /nfs/dbraw/zinc/09/80/64/400098064.db2.gz UENNFNDQIBBYMU-NSHGMRRFSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751076 400098065 /nfs/dbraw/zinc/09/80/65/400098065.db2.gz UENNFNDQIBBYMU-NSHGMRRFSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000584807048 400106390 /nfs/dbraw/zinc/10/63/90/400106390.db2.gz KYFNPZCSUFLNAY-GOSISDBHSA-N 2 1 302.462 3.295 20 0 DGADMP O[C@@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000091306318 400111800 /nfs/dbraw/zinc/11/18/00/400111800.db2.gz VOOQUTAUMLFZKY-LPHOPBHVSA-N 2 1 320.452 3.103 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000067507230 400175105 /nfs/dbraw/zinc/17/51/05/400175105.db2.gz GGXIAAUQBMLMET-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[NH+](C)Cc1c(C[N@H+](C)CCC)cccc1C(=O)OC ZINC000595297574 400122208 /nfs/dbraw/zinc/12/22/08/400122208.db2.gz WUJBEMAFHVOYIB-UHFFFAOYSA-N 2 1 306.450 3.157 20 0 DGADMP CCC[NH+](C)Cc1cccc(C(=O)OC)c1C[N@H+](C)CCC ZINC000595297574 400122212 /nfs/dbraw/zinc/12/22/12/400122212.db2.gz WUJBEMAFHVOYIB-UHFFFAOYSA-N 2 1 306.450 3.157 20 0 DGADMP CCC[NH+](C)Cc1cccc(C(=O)OC)c1C[N@@H+](C)CCC ZINC000595297574 400122217 /nfs/dbraw/zinc/12/22/17/400122217.db2.gz WUJBEMAFHVOYIB-UHFFFAOYSA-N 2 1 306.450 3.157 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCCC3(C)C)C2)CC1 ZINC000595336395 400130533 /nfs/dbraw/zinc/13/05/33/400130533.db2.gz HMUUGMRSPOQGTB-MOPGFXCFSA-N 2 1 321.553 3.303 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000316615573 400151511 /nfs/dbraw/zinc/15/15/11/400151511.db2.gz KQRBURTVQMQFHY-CYBMUJFWSA-N 2 1 316.367 3.405 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000316615573 400151516 /nfs/dbraw/zinc/15/15/16/400151516.db2.gz KQRBURTVQMQFHY-CYBMUJFWSA-N 2 1 316.367 3.405 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982127 400265769 /nfs/dbraw/zinc/26/57/69/400265769.db2.gz AYWBPTSERKQLLR-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982127 400265776 /nfs/dbraw/zinc/26/57/76/400265776.db2.gz AYWBPTSERKQLLR-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000401797726 400291478 /nfs/dbraw/zinc/29/14/78/400291478.db2.gz KOPAXCXORJSLBW-OAHLLOKOSA-N 2 1 320.234 3.002 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCSC2CCCCC2)CCO1 ZINC000595906530 400292604 /nfs/dbraw/zinc/29/26/04/400292604.db2.gz KHNZFXZBYWPOAT-MRXNPFEDSA-N 2 1 314.539 3.095 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000102666084 400301853 /nfs/dbraw/zinc/30/18/53/400301853.db2.gz IDCUCEVORHMLDB-UHFFFAOYSA-N 3 1 317.521 3.492 20 0 DGADMP CC1CC[NH+](CCCC[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000589641160 400315850 /nfs/dbraw/zinc/31/58/50/400315850.db2.gz HHOFPNVZGBFRFZ-UHFFFAOYSA-N 2 1 300.450 3.165 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000069753963 400342005 /nfs/dbraw/zinc/34/20/05/400342005.db2.gz OVYIAZSUGWGFJC-UHFFFAOYSA-N 2 1 308.223 3.134 20 0 DGADMP c1cn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)cn1 ZINC000591083240 400484109 /nfs/dbraw/zinc/48/41/09/400484109.db2.gz SCRLYUVSIDTXIL-INIZCTEOSA-N 2 1 308.385 3.375 20 0 DGADMP c1cn([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)cn1 ZINC000591083240 400484112 /nfs/dbraw/zinc/48/41/12/400484112.db2.gz SCRLYUVSIDTXIL-INIZCTEOSA-N 2 1 308.385 3.375 20 0 DGADMP CCCCOCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110039 400635602 /nfs/dbraw/zinc/63/56/02/400635602.db2.gz MKJRLDXBASXTLX-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CCCCOCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110039 400635606 /nfs/dbraw/zinc/63/56/06/400635606.db2.gz MKJRLDXBASXTLX-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CCCCOCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110039 400635610 /nfs/dbraw/zinc/63/56/10/400635610.db2.gz MKJRLDXBASXTLX-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150799134 400666885 /nfs/dbraw/zinc/66/68/85/400666885.db2.gz XTGYALRHUGOYHZ-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000052209661 400722586 /nfs/dbraw/zinc/72/25/86/400722586.db2.gz PMRJQLIWCMFSPT-LJQANCHMSA-N 2 1 304.478 3.164 20 0 DGADMP Cc1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157372349 400717321 /nfs/dbraw/zinc/71/73/21/400717321.db2.gz KTTQDFKOJOMIMP-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157372349 400717327 /nfs/dbraw/zinc/71/73/27/400717327.db2.gz KTTQDFKOJOMIMP-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593095452 400760772 /nfs/dbraw/zinc/76/07/72/400760772.db2.gz MLARZDKVOMYBFZ-HOTGVXAUSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593095452 400760776 /nfs/dbraw/zinc/76/07/76/400760776.db2.gz MLARZDKVOMYBFZ-HOTGVXAUSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593095452 400760782 /nfs/dbraw/zinc/76/07/82/400760782.db2.gz MLARZDKVOMYBFZ-HOTGVXAUSA-N 2 1 310.482 3.057 20 0 DGADMP Cc1cn2c(C[NH2+]CCC[NH+]3CCC(C)CC3)c(C)nc2s1 ZINC000078778225 400826057 /nfs/dbraw/zinc/82/60/57/400826057.db2.gz KPPCWBOLEQAYRB-UHFFFAOYSA-N 2 1 320.506 3.224 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2ccccc2n1 ZINC000614387502 400891174 /nfs/dbraw/zinc/89/11/74/400891174.db2.gz IIJZBAQKGYXOKT-MRXNPFEDSA-N 2 1 312.461 3.374 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629590275 400985151 /nfs/dbraw/zinc/98/51/51/400985151.db2.gz SFZZCPINSCVGRS-ABSDTBQOSA-N 2 1 316.489 3.401 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629652467 401018454 /nfs/dbraw/zinc/01/84/54/401018454.db2.gz BUFHHDDTQUADAA-WOJBJXKFSA-N 2 1 314.473 3.005 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccsc2)CC[C@H]1C(F)(F)F ZINC000629562460 400977241 /nfs/dbraw/zinc/97/72/41/400977241.db2.gz NHWMZYPXCVLHOU-CHWSQXEVSA-N 2 1 306.397 3.140 20 0 DGADMP COC(=O)CCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000599308821 401018440 /nfs/dbraw/zinc/01/84/40/401018440.db2.gz BOIIJYDRVOWEKP-QGZVFWFLSA-N 2 1 324.509 3.306 20 0 DGADMP CCc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561676 400978173 /nfs/dbraw/zinc/97/81/73/400978173.db2.gz KIYIAOAHZXRZQQ-CVEARBPZSA-N 2 1 314.395 3.251 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565209 400979666 /nfs/dbraw/zinc/97/96/66/400979666.db2.gz KAUORTOPXHTLAZ-HUUCEWRRSA-N 2 1 300.368 3.263 20 0 DGADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC000629702683 401049118 /nfs/dbraw/zinc/04/91/18/401049118.db2.gz RMOPVQUKKDHDBH-INIZCTEOSA-N 2 1 312.461 3.096 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599580583 401081082 /nfs/dbraw/zinc/08/10/82/401081082.db2.gz FYKSOFWPYZFSIO-JKSUJKDBSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599580583 401081092 /nfs/dbraw/zinc/08/10/92/401081092.db2.gz FYKSOFWPYZFSIO-JKSUJKDBSA-N 2 1 312.498 3.018 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@H]1C(F)(F)F ZINC000629654859 401021267 /nfs/dbraw/zinc/02/12/67/401021267.db2.gz IXUQNJPZKVBKFY-JKSUJKDBSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@H]1C(F)(F)F ZINC000629654859 401021271 /nfs/dbraw/zinc/02/12/71/401021271.db2.gz IXUQNJPZKVBKFY-JKSUJKDBSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656592 401022697 /nfs/dbraw/zinc/02/26/97/401022697.db2.gz PKPWYXYCOOZTNR-UKRRQHHQSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656592 401022705 /nfs/dbraw/zinc/02/27/05/401022705.db2.gz PKPWYXYCOOZTNR-UKRRQHHQSA-N 2 1 323.362 3.194 20 0 DGADMP c1ccc(Oc2ccc(OCC[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000607727217 401111595 /nfs/dbraw/zinc/11/15/95/401111595.db2.gz OUMHCJOTSFVFAL-IAGOWNOFSA-N 2 1 324.424 3.009 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249597739 401087233 /nfs/dbraw/zinc/08/72/33/401087233.db2.gz QAGHAMQAWLUEDZ-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259873 286013708 /nfs/dbraw/zinc/01/37/08/286013708.db2.gz VBUVAVILWKPLTQ-CABCVRRESA-N 2 1 317.260 3.101 20 0 DGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358259873 286013709 /nfs/dbraw/zinc/01/37/09/286013709.db2.gz VBUVAVILWKPLTQ-CABCVRRESA-N 2 1 317.260 3.101 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000630060980 401173967 /nfs/dbraw/zinc/17/39/67/401173967.db2.gz UZQGAZBIKNKIPZ-IHPCNDPISA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000630060980 401173972 /nfs/dbraw/zinc/17/39/72/401173972.db2.gz UZQGAZBIKNKIPZ-IHPCNDPISA-N 2 1 314.473 3.369 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000630072878 401176162 /nfs/dbraw/zinc/17/61/62/401176162.db2.gz LPWSDIOIIGKNFA-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090537048 401268627 /nfs/dbraw/zinc/26/86/27/401268627.db2.gz CGYSSUXPUMYOHK-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090537048 401268629 /nfs/dbraw/zinc/26/86/29/401268629.db2.gz CGYSSUXPUMYOHK-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090801148 401273570 /nfs/dbraw/zinc/27/35/70/401273570.db2.gz WUSVNUZCENODLX-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090801148 401273574 /nfs/dbraw/zinc/27/35/74/401273574.db2.gz WUSVNUZCENODLX-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000090775261 401273738 /nfs/dbraw/zinc/27/37/38/401273738.db2.gz LYHNVULCEUCEHU-CQJJOKNBSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358361098 286041717 /nfs/dbraw/zinc/04/17/17/286041717.db2.gz WOADHWZXMAAQCE-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358361098 286041718 /nfs/dbraw/zinc/04/17/18/286041718.db2.gz WOADHWZXMAAQCE-SCTDSRPQSA-N 2 1 304.478 3.038 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000358349758 286039100 /nfs/dbraw/zinc/03/91/00/286039100.db2.gz ICVPOVFWFJTJGR-WMZOPIPTSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634733125 401341178 /nfs/dbraw/zinc/34/11/78/401341178.db2.gz XIBAWXXWSLHBBV-QRQLOZEOSA-N 3 1 321.553 3.397 20 0 DGADMP Cn1c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc2ccc(Cl)cc21 ZINC000634733118 401341197 /nfs/dbraw/zinc/34/11/97/401341197.db2.gz XFQDNGLTEFYIHF-CYBMUJFWSA-N 2 1 320.868 3.095 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631075965 401385502 /nfs/dbraw/zinc/38/55/02/401385502.db2.gz UGOPARKAWAYMHZ-OAHLLOKOSA-N 2 1 311.429 3.102 20 0 DGADMP Nc1ccc(-c2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)n2)cc1 ZINC000634995502 401397430 /nfs/dbraw/zinc/39/74/30/401397430.db2.gz GZMTUWDRUGHLKA-KRWDZBQOSA-N 2 1 322.456 3.095 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Br ZINC000635010533 401402432 /nfs/dbraw/zinc/40/24/32/401402432.db2.gz AEFYCYKJHRTKQB-NSHDSACASA-N 2 1 320.234 3.416 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000635012209 401403640 /nfs/dbraw/zinc/40/36/40/401403640.db2.gz JNALMJWTTVSPMG-GWCFXTLKSA-N 2 1 318.795 3.419 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c2ccccc21 ZINC000635014102 401404504 /nfs/dbraw/zinc/40/45/04/401404504.db2.gz MZDPICGXGPZSRP-MORSLUCNSA-N 2 1 316.832 3.150 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195409 401422532 /nfs/dbraw/zinc/42/25/32/401422532.db2.gz GQAAXKHYAWOOHH-KDOFPFPSSA-N 2 1 313.445 3.149 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195409 401422534 /nfs/dbraw/zinc/42/25/34/401422534.db2.gz GQAAXKHYAWOOHH-KDOFPFPSSA-N 2 1 313.445 3.149 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000631197154 401423712 /nfs/dbraw/zinc/42/37/12/401423712.db2.gz XUNZIHMQPIDKFO-KBAYOESNSA-N 2 1 304.503 3.097 20 0 DGADMP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(OC)c1OC ZINC000631561436 401497031 /nfs/dbraw/zinc/49/70/31/401497031.db2.gz FAKLCXRKPFQDRB-HNNXBMFYSA-N 2 1 308.466 3.332 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000631569567 401500513 /nfs/dbraw/zinc/50/05/13/401500513.db2.gz KJYFRSWDPYJNTL-MRXNPFEDSA-N 2 1 315.417 3.094 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC000631570795 401501150 /nfs/dbraw/zinc/50/11/50/401501150.db2.gz ZDXBZEOOFFOGJC-HOCLYGCPSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572303 401501221 /nfs/dbraw/zinc/50/12/21/401501221.db2.gz OXDGNMJWARIRNI-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572303 401501222 /nfs/dbraw/zinc/50/12/22/401501222.db2.gz OXDGNMJWARIRNI-NVXWUHKLSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631571029 401501267 /nfs/dbraw/zinc/50/12/67/401501267.db2.gz WTWWYNLDOQXVPW-XSLAGTTESA-N 2 1 306.494 3.188 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000631635034 401520620 /nfs/dbraw/zinc/52/06/20/401520620.db2.gz IAEOZHPPIUYVPD-KRWDZBQOSA-N 2 1 318.461 3.373 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631636600 401520701 /nfs/dbraw/zinc/52/07/01/401520701.db2.gz FPPPAGQBAMTKQY-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000631655770 401526154 /nfs/dbraw/zinc/52/61/54/401526154.db2.gz YKYNCCMSEQIGIT-MSOLQXFVSA-N 2 1 324.415 3.257 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000631663757 401528162 /nfs/dbraw/zinc/52/81/62/401528162.db2.gz LBXPEQSKXXMDPV-JYBIWHBTSA-N 2 1 316.489 3.159 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000631663769 401528204 /nfs/dbraw/zinc/52/82/04/401528204.db2.gz LJDDZHDLTHDOSN-JENIJYKNSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664168 401529187 /nfs/dbraw/zinc/52/91/87/401529187.db2.gz MJZYHVYIAXJANZ-MPGHIAIKSA-N 2 1 312.461 3.137 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655514 401562261 /nfs/dbraw/zinc/56/22/61/401562261.db2.gz YMQILYPXRPQIAX-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655514 401562263 /nfs/dbraw/zinc/56/22/63/401562263.db2.gz YMQILYPXRPQIAX-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000623657502 401563358 /nfs/dbraw/zinc/56/33/58/401563358.db2.gz SADGHKBEPDHBNQ-SFHVURJKSA-N 2 1 302.462 3.297 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000623657324 401563481 /nfs/dbraw/zinc/56/34/81/401563481.db2.gz NMRRJMMOQUNVNF-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000623657324 401563484 /nfs/dbraw/zinc/56/34/84/401563484.db2.gz NMRRJMMOQUNVNF-GFCCVEGCSA-N 2 1 316.367 3.233 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656620 401563763 /nfs/dbraw/zinc/56/37/63/401563763.db2.gz YMYIXLHETCKGOG-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000628201243 401548864 /nfs/dbraw/zinc/54/88/64/401548864.db2.gz YLZDUXKWCORDGW-UHFFFAOYSA-N 2 1 312.379 3.464 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000628243522 401558722 /nfs/dbraw/zinc/55/87/22/401558722.db2.gz WMZCKEHQMQEZCN-AWEZNQCLSA-N 2 1 300.368 3.131 20 0 DGADMP C[NH+](CCc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000628243522 401558723 /nfs/dbraw/zinc/55/87/23/401558723.db2.gz WMZCKEHQMQEZCN-AWEZNQCLSA-N 2 1 300.368 3.131 20 0 DGADMP C[NH+](CCc1cccc(C(F)(F)F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000628243522 401558724 /nfs/dbraw/zinc/55/87/24/401558724.db2.gz WMZCKEHQMQEZCN-AWEZNQCLSA-N 2 1 300.368 3.131 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121398 401628940 /nfs/dbraw/zinc/62/89/40/401628940.db2.gz VGQWHHPOHCMRFC-WSTZPKSXSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCC[N@H+](C)C3)CC2)C1 ZINC000624121398 401628941 /nfs/dbraw/zinc/62/89/41/401628941.db2.gz VGQWHHPOHCMRFC-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121398 401628942 /nfs/dbraw/zinc/62/89/42/401628942.db2.gz VGQWHHPOHCMRFC-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624123421 401629635 /nfs/dbraw/zinc/62/96/35/401629635.db2.gz LRFLNQQUEZFBPS-YOEHRIQHSA-N 2 1 318.461 3.013 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124111 401629672 /nfs/dbraw/zinc/62/96/72/401629672.db2.gz XRNWBQYUQWKJEI-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124111 401629675 /nfs/dbraw/zinc/62/96/75/401629675.db2.gz XRNWBQYUQWKJEI-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624124132 401629854 /nfs/dbraw/zinc/62/98/54/401629854.db2.gz XWWGFOZJLHNTSH-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000624124132 401629855 /nfs/dbraw/zinc/62/98/55/401629855.db2.gz XWWGFOZJLHNTSH-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000358490190 286076322 /nfs/dbraw/zinc/07/63/22/286076322.db2.gz ZJMDGFIEAHNTCJ-LSDHHAIUSA-N 2 1 306.450 3.169 20 0 DGADMP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000358490190 286076326 /nfs/dbraw/zinc/07/63/26/286076326.db2.gz ZJMDGFIEAHNTCJ-LSDHHAIUSA-N 2 1 306.450 3.169 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624259623 401644871 /nfs/dbraw/zinc/64/48/71/401644871.db2.gz RMNJVZNPJGIRAR-LDLYASANSA-N 2 1 323.440 3.072 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624259623 401644872 /nfs/dbraw/zinc/64/48/72/401644872.db2.gz RMNJVZNPJGIRAR-LDLYASANSA-N 2 1 323.440 3.072 20 0 DGADMP CC(C)CCc1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358504624 286079793 /nfs/dbraw/zinc/07/97/93/286079793.db2.gz HINZTRPZHLUDQP-UHFFFAOYSA-N 2 1 307.507 3.307 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358515604 286082052 /nfs/dbraw/zinc/08/20/52/286082052.db2.gz ZQIDBZNHTGPNEH-UHFFFAOYSA-N 2 1 317.458 3.287 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C[NH2+]1 ZINC000629397095 401683927 /nfs/dbraw/zinc/68/39/27/401683927.db2.gz SKGYYXVSHMAAPL-XFBWCDHKSA-N 2 1 323.278 3.037 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670245 286120268 /nfs/dbraw/zinc/12/02/68/286120268.db2.gz WAUGABOVSNSNAF-ZIFCJYIRSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670245 286120270 /nfs/dbraw/zinc/12/02/70/286120270.db2.gz WAUGABOVSNSNAF-ZIFCJYIRSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@@H+]1C ZINC000358671413 286120647 /nfs/dbraw/zinc/12/06/47/286120647.db2.gz XTTMAAZUUUEQKH-XJKSGUPXSA-N 2 1 323.431 3.006 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC000358671413 286120649 /nfs/dbraw/zinc/12/06/49/286120649.db2.gz XTTMAAZUUUEQKH-XJKSGUPXSA-N 2 1 323.431 3.006 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715062 286131314 /nfs/dbraw/zinc/13/13/14/286131314.db2.gz MHSFPEIZVLXNOJ-BHIYHBOVSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715062 286131315 /nfs/dbraw/zinc/13/13/15/286131315.db2.gz MHSFPEIZVLXNOJ-BHIYHBOVSA-N 2 1 304.478 3.036 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359212822 286261867 /nfs/dbraw/zinc/26/18/67/286261867.db2.gz NNQSMLMZCKEVQP-IBGZPJMESA-N 2 1 301.478 3.279 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359223257 286263941 /nfs/dbraw/zinc/26/39/41/286263941.db2.gz QYVOCJFWCLJUMC-KDOFPFPSSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359223257 286263942 /nfs/dbraw/zinc/26/39/42/286263942.db2.gz QYVOCJFWCLJUMC-KDOFPFPSSA-N 2 1 322.880 3.492 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359223979 286264282 /nfs/dbraw/zinc/26/42/82/286264282.db2.gz RUOKJFLYYURKDY-SFHVURJKSA-N 2 1 312.461 3.100 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000414923495 286313824 /nfs/dbraw/zinc/31/38/24/286313824.db2.gz FKHCYBFHLLAFQT-KDOFPFPSSA-N 2 1 320.477 3.003 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCCO2 ZINC000359634567 286351183 /nfs/dbraw/zinc/35/11/83/286351183.db2.gz DKQZUUZDWQEOPF-QGZVFWFLSA-N 2 1 306.450 3.229 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCCO2 ZINC000359634567 286351184 /nfs/dbraw/zinc/35/11/84/286351184.db2.gz DKQZUUZDWQEOPF-QGZVFWFLSA-N 2 1 306.450 3.229 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000414189181 286355157 /nfs/dbraw/zinc/35/51/57/286355157.db2.gz QQJWVSSFEUWXFK-HZPDHXFCSA-N 2 1 320.477 3.395 20 0 DGADMP CC(C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000359663777 286356534 /nfs/dbraw/zinc/35/65/34/286356534.db2.gz NPPOPLKWPAPSPD-IXDOHACOSA-N 2 1 304.478 3.430 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(F)(F)F ZINC000360038143 286412476 /nfs/dbraw/zinc/41/24/76/286412476.db2.gz GRXHREFGUSGVOI-LSDHHAIUSA-N 2 1 322.415 3.075 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415916 298383878 /nfs/dbraw/zinc/38/38/78/298383878.db2.gz PAANSUIFFIGQJW-KGLIPLIRSA-N 2 1 310.404 3.198 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415916 298383883 /nfs/dbraw/zinc/38/38/83/298383883.db2.gz PAANSUIFFIGQJW-KGLIPLIRSA-N 2 1 310.404 3.198 20 0 DGADMP COC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364350836 287017054 /nfs/dbraw/zinc/01/70/54/287017054.db2.gz DPOCYLHTMWIUNB-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000192666905 165300375 /nfs/dbraw/zinc/30/03/75/165300375.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 3 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192666905 165300380 /nfs/dbraw/zinc/30/03/80/165300380.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 3 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192666905 165300385 /nfs/dbraw/zinc/30/03/85/165300385.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 3 1 315.505 3.242 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000192666905 165300389 /nfs/dbraw/zinc/30/03/89/165300389.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000192666905 165300393 /nfs/dbraw/zinc/30/03/93/165300393.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192666905 165300396 /nfs/dbraw/zinc/30/03/96/165300396.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192666905 165300402 /nfs/dbraw/zinc/30/04/02/165300402.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP COCc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924033 165310120 /nfs/dbraw/zinc/31/01/20/165310120.db2.gz BJXMLXDDSDIPMS-OAQYLSRUSA-N 2 1 324.468 3.445 20 0 DGADMP COC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927321 165310847 /nfs/dbraw/zinc/31/08/47/165310847.db2.gz OMIUISKYFSQEMO-VIQWUECVSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(F)c1 ZINC000192941233 165311942 /nfs/dbraw/zinc/31/19/42/165311942.db2.gz RZRGLDHSYRFKLJ-HMQMGEFJSA-N 2 1 306.425 3.198 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Cl ZINC000193010269 165314681 /nfs/dbraw/zinc/31/46/81/165314681.db2.gz VNGNURQHDLDFKU-AVOUXACISA-N 2 1 308.853 3.322 20 0 DGADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(C(F)(F)F)c1 ZINC000262006874 165776726 /nfs/dbraw/zinc/77/67/26/165776726.db2.gz LYLMABKPKZEWAG-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP CCn1nc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c2ccccc21 ZINC000365827389 287176684 /nfs/dbraw/zinc/17/66/84/287176684.db2.gz BRODWKZUDSCXFY-OAHLLOKOSA-N 2 1 323.444 3.169 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000181965980 432152458 /nfs/dbraw/zinc/15/24/58/432152458.db2.gz UBKUHAJNWLETLP-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000136323391 432151105 /nfs/dbraw/zinc/15/11/05/432151105.db2.gz VFRCVFWZBBGSNU-HUUCEWRRSA-N 2 1 301.434 3.144 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000171764751 432171090 /nfs/dbraw/zinc/17/10/90/432171090.db2.gz KFGYQEOOIOPPFX-LBPRGKRZSA-N 2 1 309.360 3.219 20 0 DGADMP CSC[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CSC ZINC000246827311 432170686 /nfs/dbraw/zinc/17/06/86/432170686.db2.gz KANNSGGVUWPNBZ-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000246873003 432176790 /nfs/dbraw/zinc/17/67/90/432176790.db2.gz CQPSJOSSKLHEAM-HZPDHXFCSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000246873003 432176795 /nfs/dbraw/zinc/17/67/95/432176795.db2.gz CQPSJOSSKLHEAM-HZPDHXFCSA-N 2 1 320.477 3.475 20 0 DGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCC1 ZINC000246928315 432181247 /nfs/dbraw/zinc/18/12/47/432181247.db2.gz GZVCNTOYGMSASV-XLIONFOSSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3cc(F)ccc32)C[C@H](C)O1 ZINC000246870553 432175941 /nfs/dbraw/zinc/17/59/41/432175941.db2.gz COPNXTBGIKABTJ-KHYOSLBOSA-N 2 1 320.452 3.292 20 0 DGADMP c1ccc(COCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000182414194 432189516 /nfs/dbraw/zinc/18/95/16/432189516.db2.gz MPIAPMHNAMDOJT-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000247061198 432197655 /nfs/dbraw/zinc/19/76/55/432197655.db2.gz NUYCUIVVNFJEID-AEFFLSMTSA-N 2 1 302.462 3.449 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000130553974 196090320 /nfs/dbraw/zinc/09/03/20/196090320.db2.gz UMSRNMBJWYSBSG-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247152417 432207174 /nfs/dbraw/zinc/20/71/74/432207174.db2.gz XDMXATIRGGEMQR-ATLSCFEFSA-N 2 1 319.493 3.043 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000247248270 432215107 /nfs/dbraw/zinc/21/51/07/432215107.db2.gz ZMAIRDWOFUQQJX-UWVAXJGDSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000247136097 432205442 /nfs/dbraw/zinc/20/54/42/432205442.db2.gz VXGUBYLQWWSZRU-FCEWJHQRSA-N 2 1 302.462 3.153 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182664309 432216198 /nfs/dbraw/zinc/21/61/98/432216198.db2.gz JUWICGPZESUPFP-UHFFFAOYSA-N 2 1 304.478 3.123 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269870751 432216924 /nfs/dbraw/zinc/21/69/24/432216924.db2.gz MPXGRUSFHZZFPJ-BZNIZROVSA-N 2 1 305.372 3.383 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000191070551 432217364 /nfs/dbraw/zinc/21/73/64/432217364.db2.gz POLVUSOECQMGFD-CYBMUJFWSA-N 2 1 300.368 3.397 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245858573 287266822 /nfs/dbraw/zinc/26/68/22/287266822.db2.gz HLWFCLASKOWQGF-BRSBDYLESA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000132224852 196237129 /nfs/dbraw/zinc/23/71/29/196237129.db2.gz KBTQVELYNDKIBM-CMPLNLGQSA-N 2 1 304.381 3.468 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000132978539 196301308 /nfs/dbraw/zinc/30/13/08/196301308.db2.gz UKJYVZXBSXTTSL-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP COCc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000295835309 225295682 /nfs/dbraw/zinc/29/56/82/225295682.db2.gz CXHSRJDPRNBFOW-DXJOGWAWSA-N 2 1 318.461 3.117 20 0 DGADMP C[C@H](CCCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000295843688 225304155 /nfs/dbraw/zinc/30/41/55/225304155.db2.gz AREUYYWFKKWWMN-QHGAOEGBSA-N 2 1 318.505 3.428 20 0 DGADMP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000291207601 222223420 /nfs/dbraw/zinc/22/34/20/222223420.db2.gz MMLZFRNXSUFOAR-IBGZPJMESA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)(O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291387376 222358719 /nfs/dbraw/zinc/35/87/19/222358719.db2.gz BZVNNUJRYVPGDM-UHFFFAOYSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000178219906 228338252 /nfs/dbraw/zinc/33/82/52/228338252.db2.gz NTHSJBOLOAYLAJ-GJZGRUSLSA-N 2 1 323.440 3.092 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000178219906 228338256 /nfs/dbraw/zinc/33/82/56/228338256.db2.gz NTHSJBOLOAYLAJ-GJZGRUSLSA-N 2 1 323.440 3.092 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000178440047 228341594 /nfs/dbraw/zinc/34/15/94/228341594.db2.gz MPXJIDRDQHIUFL-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000178440047 228341596 /nfs/dbraw/zinc/34/15/96/228341596.db2.gz MPXJIDRDQHIUFL-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1nccn1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000346298047 264005215 /nfs/dbraw/zinc/00/52/15/264005215.db2.gz AIKMACHWJQZAID-KRWDZBQOSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000346300878 264005566 /nfs/dbraw/zinc/00/55/66/264005566.db2.gz DEGLMFWHBZMDQE-UHFFFAOYSA-N 2 1 322.250 3.479 20 0 DGADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000346303998 264005575 /nfs/dbraw/zinc/00/55/75/264005575.db2.gz GQNJPHWWAJMTLT-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000346303998 264005578 /nfs/dbraw/zinc/00/55/78/264005578.db2.gz GQNJPHWWAJMTLT-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCCO1 ZINC000346550179 264051886 /nfs/dbraw/zinc/05/18/86/264051886.db2.gz DLRPWBYBRWSEME-LJIGWXMPSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCCO1 ZINC000346550179 264051889 /nfs/dbraw/zinc/05/18/89/264051889.db2.gz DLRPWBYBRWSEME-LJIGWXMPSA-N 2 1 308.491 3.288 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346630474 264068974 /nfs/dbraw/zinc/06/89/74/264068974.db2.gz CFJHGLOMCGOKDI-UHFFFAOYSA-N 2 1 303.233 3.173 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000346636933 264070452 /nfs/dbraw/zinc/07/04/52/264070452.db2.gz IJARKBORGAUIQP-RDJZCZTQSA-N 2 1 311.429 3.351 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OCC ZINC000346650530 264073241 /nfs/dbraw/zinc/07/32/41/264073241.db2.gz CRUXZMGLWXFWML-INIZCTEOSA-N 2 1 308.466 3.289 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000346651920 264073721 /nfs/dbraw/zinc/07/37/21/264073721.db2.gz DDIPAFQWPAKENL-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)CC(C)(C)C[NH3+] ZINC000346657940 264074770 /nfs/dbraw/zinc/07/47/70/264074770.db2.gz HJOPBUKRMMKVDY-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346662163 264075715 /nfs/dbraw/zinc/07/57/15/264075715.db2.gz WGUOPLGVWLMEFA-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP COc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1OC(C)C ZINC000346685165 264079489 /nfs/dbraw/zinc/07/94/89/264079489.db2.gz QHUQOPBYZXRGKV-MRXNPFEDSA-N 2 1 308.466 3.288 20 0 DGADMP COc1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1OC(C)C ZINC000346685165 264079491 /nfs/dbraw/zinc/07/94/91/264079491.db2.gz QHUQOPBYZXRGKV-MRXNPFEDSA-N 2 1 308.466 3.288 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692889 264080157 /nfs/dbraw/zinc/08/01/57/264080157.db2.gz JOSBUHCARTYFMV-KGLIPLIRSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692889 264080158 /nfs/dbraw/zinc/08/01/58/264080158.db2.gz JOSBUHCARTYFMV-KGLIPLIRSA-N 2 1 307.869 3.109 20 0 DGADMP CCCOc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OC ZINC000346693075 264080508 /nfs/dbraw/zinc/08/05/08/264080508.db2.gz KRRCOASMEPYLMX-INIZCTEOSA-N 2 1 308.466 3.289 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833815 264105291 /nfs/dbraw/zinc/10/52/91/264105291.db2.gz MPRIYBYEYFLJFT-UONOGXRCSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000346833815 264105292 /nfs/dbraw/zinc/10/52/92/264105292.db2.gz MPRIYBYEYFLJFT-UONOGXRCSA-N 2 1 307.869 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC000346832525 264105370 /nfs/dbraw/zinc/10/53/70/264105370.db2.gz QWSPGDMYRVCNEN-GBESFXJTSA-N 2 1 307.441 3.308 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346839569 264106722 /nfs/dbraw/zinc/10/67/22/264106722.db2.gz YKYSMOOMKOQSJO-ULQDDVLXSA-N 2 1 318.461 3.043 20 0 DGADMP CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000346841819 264107567 /nfs/dbraw/zinc/10/75/67/264107567.db2.gz HFJPZDIFUOCKNI-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)C[C@H]12 ZINC000346848753 264108111 /nfs/dbraw/zinc/10/81/11/264108111.db2.gz QTHBHTNZFRMRNQ-ISTRZQFTSA-N 2 1 300.377 3.255 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346848903 264108364 /nfs/dbraw/zinc/10/83/64/264108364.db2.gz OSLBUVVBCKLBSE-YESZJQIVSA-N 2 1 318.461 3.043 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346856973 264110353 /nfs/dbraw/zinc/11/03/53/264110353.db2.gz PYMFPDNEEKYYCT-QXAKKESOSA-N 2 1 302.462 3.281 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]21 ZINC000346864707 264112118 /nfs/dbraw/zinc/11/21/18/264112118.db2.gz YYYSEWPFRUWIDW-OWCLPIDISA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]21 ZINC000346864707 264112120 /nfs/dbraw/zinc/11/21/20/264112120.db2.gz YYYSEWPFRUWIDW-OWCLPIDISA-N 2 1 313.470 3.369 20 0 DGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)cc1 ZINC000346885407 264115180 /nfs/dbraw/zinc/11/51/80/264115180.db2.gz RERDUODXFOFIEW-DOTOQJQBSA-N 2 1 302.462 3.189 20 0 DGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000346985453 264133628 /nfs/dbraw/zinc/13/36/28/264133628.db2.gz OTAIFNHFPNBGIZ-GJZGRUSLSA-N 2 1 319.518 3.201 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCCC(C)C ZINC000346995500 264135842 /nfs/dbraw/zinc/13/58/42/264135842.db2.gz BJUBMILQNDNCLX-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCCC(C)C ZINC000346995500 264135844 /nfs/dbraw/zinc/13/58/44/264135844.db2.gz BJUBMILQNDNCLX-RDJZCZTQSA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000347002279 264136687 /nfs/dbraw/zinc/13/66/87/264136687.db2.gz IPJKMXFSGSKEAQ-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc(Br)c1 ZINC000347014350 264139711 /nfs/dbraw/zinc/13/97/11/264139711.db2.gz WZEWGYVMTKQFDF-XUJVJEKNSA-N 2 1 311.267 3.222 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc(Br)c1 ZINC000347014350 264139713 /nfs/dbraw/zinc/13/97/13/264139713.db2.gz WZEWGYVMTKQFDF-XUJVJEKNSA-N 2 1 311.267 3.222 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347039285 264144539 /nfs/dbraw/zinc/14/45/39/264144539.db2.gz GRZLWLYWQHLGDZ-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000347062573 264149674 /nfs/dbraw/zinc/14/96/74/264149674.db2.gz ZINXPXDLWMSINY-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347069172 264151041 /nfs/dbraw/zinc/15/10/41/264151041.db2.gz OOEMRFKRQQFMNZ-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCCCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347069172 264151043 /nfs/dbraw/zinc/15/10/43/264151043.db2.gz OOEMRFKRQQFMNZ-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347066409 264151080 /nfs/dbraw/zinc/15/10/80/264151080.db2.gz ZVYWMTSVRGUFDK-QZTJIDSGSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347066409 264151082 /nfs/dbraw/zinc/15/10/82/264151082.db2.gz ZVYWMTSVRGUFDK-QZTJIDSGSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347066409 264151083 /nfs/dbraw/zinc/15/10/83/264151083.db2.gz ZVYWMTSVRGUFDK-QZTJIDSGSA-N 2 1 324.896 3.050 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069242 264151332 /nfs/dbraw/zinc/15/13/32/264151332.db2.gz OSAOYFJAZGZTFV-DZGCQCFKSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069242 264151334 /nfs/dbraw/zinc/15/13/34/264151334.db2.gz OSAOYFJAZGZTFV-DZGCQCFKSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347093883 264155900 /nfs/dbraw/zinc/15/59/00/264155900.db2.gz HGCCGPJBUUUDLU-DZGCQCFKSA-N 2 1 301.459 3.369 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000347116721 264159859 /nfs/dbraw/zinc/15/98/59/264159859.db2.gz XAMGRCCUFBOFLA-LJQANCHMSA-N 2 1 312.413 3.176 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC000347127201 264161498 /nfs/dbraw/zinc/16/14/98/264161498.db2.gz YSAFUEVGLLUQRM-GOSISDBHSA-N 2 1 302.462 3.426 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000347162017 264167229 /nfs/dbraw/zinc/16/72/29/264167229.db2.gz IDPMUOKQQCDQCH-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000347162017 264167231 /nfs/dbraw/zinc/16/72/31/264167231.db2.gz IDPMUOKQQCDQCH-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP CCC[N@H+](Cc1ncccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000347192594 264172932 /nfs/dbraw/zinc/17/29/32/264172932.db2.gz GFHXVKJACYGLKB-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP CCC[N@@H+](Cc1ncccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000347192594 264172933 /nfs/dbraw/zinc/17/29/33/264172933.db2.gz GFHXVKJACYGLKB-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347211637 264176663 /nfs/dbraw/zinc/17/66/63/264176663.db2.gz OXVHVLCIVNTPTL-TZMCWYRMSA-N 2 1 318.852 3.289 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347320516 264196149 /nfs/dbraw/zinc/19/61/49/264196149.db2.gz AIUPGKXXNTUIPL-UXLLHSPISA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347320516 264196151 /nfs/dbraw/zinc/19/61/51/264196151.db2.gz AIUPGKXXNTUIPL-UXLLHSPISA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347320516 264196153 /nfs/dbraw/zinc/19/61/53/264196153.db2.gz AIUPGKXXNTUIPL-UXLLHSPISA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347320511 264196313 /nfs/dbraw/zinc/19/63/13/264196313.db2.gz AIUPGKXXNTUIPL-INMHGKMJSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347320511 264196315 /nfs/dbraw/zinc/19/63/15/264196315.db2.gz AIUPGKXXNTUIPL-INMHGKMJSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347320511 264196318 /nfs/dbraw/zinc/19/63/18/264196318.db2.gz AIUPGKXXNTUIPL-INMHGKMJSA-N 2 1 304.409 3.256 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000347333841 264198995 /nfs/dbraw/zinc/19/89/95/264198995.db2.gz QSQJXGZOMCMVRN-HKUYNNGSSA-N 2 1 304.478 3.098 20 0 DGADMP COC1CC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000347415102 264216684 /nfs/dbraw/zinc/21/66/84/264216684.db2.gz GUXLOFJTNTYPGE-UHFFFAOYSA-N 2 1 314.429 3.179 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347472903 264226889 /nfs/dbraw/zinc/22/68/89/264226889.db2.gz KWOJCQYHJKRCHM-MSOLQXFVSA-N 2 1 313.445 3.369 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347472903 264226891 /nfs/dbraw/zinc/22/68/91/264226891.db2.gz KWOJCQYHJKRCHM-MSOLQXFVSA-N 2 1 313.445 3.369 20 0 DGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729133 264274147 /nfs/dbraw/zinc/27/41/47/264274147.db2.gz FVRSZLHLGUYRDN-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729133 264274148 /nfs/dbraw/zinc/27/41/48/264274148.db2.gz FVRSZLHLGUYRDN-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729133 264274150 /nfs/dbraw/zinc/27/41/50/264274150.db2.gz FVRSZLHLGUYRDN-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729133 264274151 /nfs/dbraw/zinc/27/41/51/264274151.db2.gz FVRSZLHLGUYRDN-LJQANCHMSA-N 2 1 314.473 3.200 20 0 DGADMP CCS[C@H]1CCCCN(Cc2ncc(CN(C)C)s2)C1 ZINC000347812555 264288623 /nfs/dbraw/zinc/28/86/23/264288623.db2.gz LKBAERZRMNXYNG-ZDUSSCGKSA-N 2 1 313.536 3.312 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000347839540 264292831 /nfs/dbraw/zinc/29/28/31/264292831.db2.gz CMCDAFGBFOZMIV-KRWDZBQOSA-N 2 1 310.445 3.281 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000347839540 264292833 /nfs/dbraw/zinc/29/28/33/264292833.db2.gz CMCDAFGBFOZMIV-KRWDZBQOSA-N 2 1 310.445 3.281 20 0 DGADMP CCC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000347883279 264300778 /nfs/dbraw/zinc/30/07/78/264300778.db2.gz KIENEHWMIOZERJ-UHFFFAOYSA-N 2 1 302.462 3.200 20 0 DGADMP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000347944533 264310677 /nfs/dbraw/zinc/31/06/77/264310677.db2.gz XNEDLSQWHIMKCF-ZFWWWQNUSA-N 2 1 307.507 3.237 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000347996956 264320400 /nfs/dbraw/zinc/32/04/00/264320400.db2.gz CDQKJOOCRXWDKI-RHSMWYFYSA-N 2 1 310.445 3.068 20 0 DGADMP COCC[N@@H+](CCCc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000348053617 264329632 /nfs/dbraw/zinc/32/96/32/264329632.db2.gz VSSYIYJGLCGJMT-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP COCC[NH+](CCCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000348053617 264329635 /nfs/dbraw/zinc/32/96/35/264329635.db2.gz VSSYIYJGLCGJMT-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP COCC[NH+](CCCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000348053617 264329638 /nfs/dbraw/zinc/32/96/38/264329638.db2.gz VSSYIYJGLCGJMT-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348076436 264334558 /nfs/dbraw/zinc/33/45/58/264334558.db2.gz CXYFYFARGURRSV-XGUBFFRZSA-N 2 1 322.415 3.054 20 0 DGADMP C[C@H]([NH2+]C1CCC(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096613 264339480 /nfs/dbraw/zinc/33/94/80/264339480.db2.gz NFTZQLKKUWBQRS-VHBXLISGSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000348100580 264340330 /nfs/dbraw/zinc/34/03/30/264340330.db2.gz GJVUKQCIPMDYJV-LZQZEXGQSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000348100580 264340331 /nfs/dbraw/zinc/34/03/31/264340331.db2.gz GJVUKQCIPMDYJV-LZQZEXGQSA-N 2 1 302.462 3.186 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000348184079 264359147 /nfs/dbraw/zinc/35/91/47/264359147.db2.gz FMCGYOSIBXYKAS-RHSMWYFYSA-N 2 1 321.428 3.043 20 0 DGADMP CN(CC[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000348203066 264363598 /nfs/dbraw/zinc/36/35/98/264363598.db2.gz NTVKZOXFMIXIML-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP CN(CC[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000348203066 264363599 /nfs/dbraw/zinc/36/35/99/264363599.db2.gz NTVKZOXFMIXIML-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP COCC[N@@H+](CCCc1cnccc1C)[C@@H]1CCCSC1 ZINC000348361176 264397069 /nfs/dbraw/zinc/39/70/69/264397069.db2.gz RYQOGECYRJOZQM-QGZVFWFLSA-N 2 1 308.491 3.167 20 0 DGADMP O[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000352039431 264906587 /nfs/dbraw/zinc/90/65/87/264906587.db2.gz GFRPWWWVAYBQAC-NHCUHLMSSA-N 2 1 324.468 3.017 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000352502983 265071672 /nfs/dbraw/zinc/07/16/72/265071672.db2.gz AQYFJASLYKDAEZ-AWEZNQCLSA-N 2 1 316.367 3.331 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000352527326 265080788 /nfs/dbraw/zinc/08/07/88/265080788.db2.gz YZEYDGJJYIFCOR-INIZCTEOSA-N 2 1 306.450 3.187 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OCC ZINC000352541118 265082517 /nfs/dbraw/zinc/08/25/17/265082517.db2.gz UGJSJFLKEDRUJP-MRXNPFEDSA-N 2 1 306.450 3.187 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cccc(-n2cccn2)c1)CC1CCCC1 ZINC000352541403 265082684 /nfs/dbraw/zinc/08/26/84/265082684.db2.gz XLMKLLOTQSFKSK-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP Cc1cccc([C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352750620 265151389 /nfs/dbraw/zinc/15/13/89/265151389.db2.gz QUJPBPLNAFFHMI-CQSZACIVSA-N 2 1 303.475 3.406 20 0 DGADMP Cc1cc(C)c(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1 ZINC000352756184 265154405 /nfs/dbraw/zinc/15/44/05/265154405.db2.gz OVJKNBWAKPEUPV-UHFFFAOYSA-N 2 1 317.502 3.462 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCOCC4CC4)C3)C2)cc1 ZINC000352826734 265183465 /nfs/dbraw/zinc/18/34/65/265183465.db2.gz SOEBXAATSLWSLP-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCOCC4CC4)C3)C2)cc1 ZINC000352826734 265183468 /nfs/dbraw/zinc/18/34/68/265183468.db2.gz SOEBXAATSLWSLP-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000352826734 265183472 /nfs/dbraw/zinc/18/34/72/265183472.db2.gz SOEBXAATSLWSLP-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000352826734 265183476 /nfs/dbraw/zinc/18/34/76/265183476.db2.gz SOEBXAATSLWSLP-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000352838054 265190653 /nfs/dbraw/zinc/19/06/53/265190653.db2.gz DKLTWGUYWJQVPS-KGLIPLIRSA-N 2 1 314.351 3.127 20 0 DGADMP Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000352838054 265190656 /nfs/dbraw/zinc/19/06/56/265190656.db2.gz DKLTWGUYWJQVPS-KGLIPLIRSA-N 2 1 314.351 3.127 20 0 DGADMP CSc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352855450 265200145 /nfs/dbraw/zinc/20/01/45/265200145.db2.gz XWHUBNSXZGWYSG-UHFFFAOYSA-N 2 1 321.515 3.259 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000352888918 265215077 /nfs/dbraw/zinc/21/50/77/265215077.db2.gz WIABARPVHYNMPR-MJGOQNOKSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191166313 432229416 /nfs/dbraw/zinc/22/94/16/432229416.db2.gz MKBUXYAVYGHNES-HIFRSBDPSA-N 2 1 304.482 3.081 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191166357 432229504 /nfs/dbraw/zinc/22/95/04/432229504.db2.gz MKBUXYAVYGHNES-UKRRQHHQSA-N 2 1 304.482 3.081 20 0 DGADMP Cc1cccc([C@@H](C)[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000355030243 265949065 /nfs/dbraw/zinc/94/90/65/265949065.db2.gz KTXOXJYZQLCHMJ-ZWKOTPCHSA-N 2 1 315.505 3.156 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000355285287 266027040 /nfs/dbraw/zinc/02/70/40/266027040.db2.gz TZWMUBNOGJZCPW-AABGKKOBSA-N 2 1 316.489 3.241 20 0 DGADMP CN(C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678622 266154300 /nfs/dbraw/zinc/15/43/00/266154300.db2.gz FNKOWWLMNMIAQK-RHSMWYFYSA-N 2 1 316.836 3.259 20 0 DGADMP CN(C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678622 266154301 /nfs/dbraw/zinc/15/43/01/266154301.db2.gz FNKOWWLMNMIAQK-RHSMWYFYSA-N 2 1 316.836 3.259 20 0 DGADMP CCOCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355782541 266183811 /nfs/dbraw/zinc/18/38/11/266183811.db2.gz LRBXWSRDJCRWCS-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP CCOCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355782541 266183814 /nfs/dbraw/zinc/18/38/14/266183814.db2.gz LRBXWSRDJCRWCS-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP CCOCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355782541 266183817 /nfs/dbraw/zinc/18/38/17/266183817.db2.gz LRBXWSRDJCRWCS-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151353341 432239405 /nfs/dbraw/zinc/23/94/05/432239405.db2.gz GTCCFUQSKLUYJF-KRWDZBQOSA-N 2 1 318.505 3.383 20 0 DGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCCO2 ZINC000359898375 271011494 /nfs/dbraw/zinc/01/14/94/271011494.db2.gz LJPHXUHXAFTGTD-SFHVURJKSA-N 2 1 300.446 3.369 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601716 271048050 /nfs/dbraw/zinc/04/80/50/271048050.db2.gz PAQOFHVWLRSBQP-WBVHZDCISA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601716 271048054 /nfs/dbraw/zinc/04/80/54/271048054.db2.gz PAQOFHVWLRSBQP-WBVHZDCISA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601716 271048058 /nfs/dbraw/zinc/04/80/58/271048058.db2.gz PAQOFHVWLRSBQP-WBVHZDCISA-N 2 1 304.482 3.353 20 0 DGADMP Clc1cnc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000367612372 271050988 /nfs/dbraw/zinc/05/09/88/271050988.db2.gz NFPIRMLUQJHPJH-JTQLQIEISA-N 2 1 311.216 3.491 20 0 DGADMP C[C@@H]([NH2+]C1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367926892 271097621 /nfs/dbraw/zinc/09/76/21/271097621.db2.gz AKBQUQGQUOGAAA-WBVHZDCISA-N 2 1 304.503 3.382 20 0 DGADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC000368140298 271141992 /nfs/dbraw/zinc/14/19/92/271141992.db2.gz KCKLEOFPUJJYLF-KLAILNCOSA-N 2 1 320.481 3.114 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000368137457 271142294 /nfs/dbraw/zinc/14/22/94/271142294.db2.gz ACTXSCCJWPAJJK-SUMWQHHRSA-N 2 1 308.491 3.214 20 0 DGADMP COC1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368531037 271164748 /nfs/dbraw/zinc/16/47/48/271164748.db2.gz SDOKRKCXCIVAAV-SOAGJPPSSA-N 2 1 316.489 3.446 20 0 DGADMP COCCC[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530140 271165590 /nfs/dbraw/zinc/16/55/90/271165590.db2.gz IVSAHRQTGSMMGV-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP CCOC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368585455 271175129 /nfs/dbraw/zinc/17/51/29/271175129.db2.gz RADIZULOQXCACX-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2O1 ZINC000369539208 271289344 /nfs/dbraw/zinc/28/93/44/271289344.db2.gz HJKUIWSTIAOOAI-DLBZAZTESA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2O1 ZINC000369539208 271289345 /nfs/dbraw/zinc/28/93/45/271289345.db2.gz HJKUIWSTIAOOAI-DLBZAZTESA-N 2 1 300.446 3.117 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](CCCOCCc1ccccc1)CC2 ZINC000370652175 271379345 /nfs/dbraw/zinc/37/93/45/271379345.db2.gz TWSHEPOMRWOQKY-UHFFFAOYSA-N 2 1 316.489 3.196 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CCCOCCc1ccccc1)CC2 ZINC000370652175 271379349 /nfs/dbraw/zinc/37/93/49/271379349.db2.gz TWSHEPOMRWOQKY-UHFFFAOYSA-N 2 1 316.489 3.196 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000247938529 432253600 /nfs/dbraw/zinc/25/36/00/432253600.db2.gz CTLPOUQJZJPDAK-RNINOARNSA-N 2 1 314.473 3.197 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC000151554039 432256318 /nfs/dbraw/zinc/25/63/18/432256318.db2.gz YKVNOXZFHMTTEG-UYAOXDASSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422906436 273541709 /nfs/dbraw/zinc/54/17/09/273541709.db2.gz VEBZMVHSGXEMDL-LSDHHAIUSA-N 2 1 316.367 3.462 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCS2 ZINC000343464577 274138042 /nfs/dbraw/zinc/13/80/42/274138042.db2.gz OSGAFPGEHRIDRY-WOSRLPQWSA-N 2 1 306.475 3.304 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCS2 ZINC000343464577 274138043 /nfs/dbraw/zinc/13/80/43/274138043.db2.gz OSGAFPGEHRIDRY-WOSRLPQWSA-N 2 1 306.475 3.304 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C2 ZINC000414834625 274152542 /nfs/dbraw/zinc/15/25/42/274152542.db2.gz GTQNOBFJAMRUNR-AEFFLSMTSA-N 2 1 302.462 3.050 20 0 DGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423533718 274210727 /nfs/dbraw/zinc/21/07/27/274210727.db2.gz UGRXWJXVLIJELZ-RYGJVYDSSA-N 2 1 312.432 3.492 20 0 DGADMP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443436714 274333768 /nfs/dbraw/zinc/33/37/68/274333768.db2.gz ATTVUZGFTUYZKG-LLVKDONJSA-N 2 1 320.234 3.138 20 0 DGADMP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443436714 274333769 /nfs/dbraw/zinc/33/37/69/274333769.db2.gz ATTVUZGFTUYZKG-LLVKDONJSA-N 2 1 320.234 3.138 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006455 274335423 /nfs/dbraw/zinc/33/54/23/274335423.db2.gz LYLVCCAHMAYBEO-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C(F)(F)F ZINC000275006455 274335426 /nfs/dbraw/zinc/33/54/26/274335426.db2.gz LYLVCCAHMAYBEO-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006455 274335428 /nfs/dbraw/zinc/33/54/28/274335428.db2.gz LYLVCCAHMAYBEO-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000275006455 274335430 /nfs/dbraw/zinc/33/54/30/274335430.db2.gz LYLVCCAHMAYBEO-IUODEOHRSA-N 2 1 300.368 3.477 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248042237 276110905 /nfs/dbraw/zinc/11/09/05/276110905.db2.gz TYINJIRHXFXMKZ-LPHOPBHVSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000248042237 276110906 /nfs/dbraw/zinc/11/09/06/276110906.db2.gz TYINJIRHXFXMKZ-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248042237 276110907 /nfs/dbraw/zinc/11/09/07/276110907.db2.gz TYINJIRHXFXMKZ-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248042237 276110909 /nfs/dbraw/zinc/11/09/09/276110909.db2.gz TYINJIRHXFXMKZ-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268739727 276152190 /nfs/dbraw/zinc/15/21/90/276152190.db2.gz RQXYZUPTJIUQSC-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+](Cc1sc(C)nc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000345214177 276355609 /nfs/dbraw/zinc/35/56/09/276355609.db2.gz WSJXQBOZGIKRJO-LLVKDONJSA-N 2 1 321.412 3.434 20 0 DGADMP CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000345214177 276355611 /nfs/dbraw/zinc/35/56/11/276355611.db2.gz WSJXQBOZGIKRJO-LLVKDONJSA-N 2 1 321.412 3.434 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)CC(C)C)CC2)CC1 ZINC000420974046 276359088 /nfs/dbraw/zinc/35/90/88/276359088.db2.gz DCWNHCRTSMXPPI-SFHVURJKSA-N 2 1 309.542 3.161 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000107368753 276386683 /nfs/dbraw/zinc/38/66/83/276386683.db2.gz YPLRZRLLIVAASI-JKSUJKDBSA-N 2 1 321.896 3.113 20 0 DGADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340180926 277169685 /nfs/dbraw/zinc/16/96/85/277169685.db2.gz HTNZNZFXSZQYHB-ICSRJNTNSA-N 2 1 313.489 3.038 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000177836564 277386585 /nfs/dbraw/zinc/38/65/85/277386585.db2.gz UEDKREWYMJBOOK-IVZQSRNASA-N 2 1 322.518 3.195 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[NH2+]1 ZINC000423371106 277986003 /nfs/dbraw/zinc/98/60/03/277986003.db2.gz HKBAILCUZDYHMH-RPVQJOFSSA-N 2 1 300.446 3.119 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000342510674 278332303 /nfs/dbraw/zinc/33/23/03/278332303.db2.gz VGGGGRPASHWLGA-RDJZCZTQSA-N 2 1 304.482 3.115 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1c[nH+]ccc1N ZINC000422912246 278354297 /nfs/dbraw/zinc/35/42/97/278354297.db2.gz VPYNQXVTYLWWFK-NVXWUHKLSA-N 2 1 316.493 3.189 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCc3cccnc3CC2)([NH+](C)C)C1 ZINC000421818550 278525229 /nfs/dbraw/zinc/52/52/29/278525229.db2.gz BKLBWXFNAXIQPB-POAQFYNOSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278591376 279021636 /nfs/dbraw/zinc/02/16/36/279021636.db2.gz QOOQNNOCTKXNIR-GPMSIDNRSA-N 2 1 302.462 3.010 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440108714 279101123 /nfs/dbraw/zinc/10/11/23/279101123.db2.gz RUBOQVSNBCXBQE-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091321141 279171876 /nfs/dbraw/zinc/17/18/76/279171876.db2.gz IMSNWEVVKFINPP-UONOGXRCSA-N 2 1 311.433 3.065 20 0 DGADMP C[C@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122281208 279223153 /nfs/dbraw/zinc/22/31/53/279223153.db2.gz KSXXJNBQPALFGU-ZJPYXAASSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122281208 279223154 /nfs/dbraw/zinc/22/31/54/279223154.db2.gz KSXXJNBQPALFGU-ZJPYXAASSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122281208 279223155 /nfs/dbraw/zinc/22/31/55/279223155.db2.gz KSXXJNBQPALFGU-ZJPYXAASSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000340472250 279455543 /nfs/dbraw/zinc/45/55/43/279455543.db2.gz HNEHWDWYIQIFLM-FXAWDEMLSA-N 2 1 316.489 3.241 20 0 DGADMP Fc1ccccc1[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423493737 279472561 /nfs/dbraw/zinc/47/25/61/279472561.db2.gz QZDRZWYCYZUXFE-CRAIPNDOSA-N 2 1 306.425 3.025 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070169463 431242960 /nfs/dbraw/zinc/24/29/60/431242960.db2.gz ORYNZHIZLYJZPX-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)s2)CCCCC1 ZINC000070600482 431255683 /nfs/dbraw/zinc/25/56/83/431255683.db2.gz TYZZRVGAMGQWQS-UHFFFAOYSA-N 2 1 303.269 3.262 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000113005466 431323751 /nfs/dbraw/zinc/32/37/51/431323751.db2.gz VRKKZYUGLBOKIG-SFHVURJKSA-N 2 1 302.462 3.198 20 0 DGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000072859113 431355822 /nfs/dbraw/zinc/35/58/22/431355822.db2.gz XHAGMLJUJRYUFV-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000072859113 431355828 /nfs/dbraw/zinc/35/58/28/431355828.db2.gz XHAGMLJUJRYUFV-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCCOc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000072859113 431355836 /nfs/dbraw/zinc/35/58/36/431355836.db2.gz XHAGMLJUJRYUFV-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CCCOc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000072859113 431355842 /nfs/dbraw/zinc/35/58/42/431355842.db2.gz XHAGMLJUJRYUFV-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522332 279832401 /nfs/dbraw/zinc/83/24/01/279832401.db2.gz PWORBSSAPPRAPU-HXUWFJFHSA-N 2 1 318.505 3.080 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@H](C)C1 ZINC000115628568 431468376 /nfs/dbraw/zinc/46/83/76/431468376.db2.gz GRQBDGSRQOOCDM-CNLJBLCWSA-N 2 1 316.489 3.426 20 0 DGADMP CC[N@@H+](Cc1ccccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154602 431531350 /nfs/dbraw/zinc/53/13/50/431531350.db2.gz MGHNACOAOSQUIY-LJQANCHMSA-N 2 1 309.457 3.426 20 0 DGADMP CC[N@H+](Cc1ccccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154602 431531357 /nfs/dbraw/zinc/53/13/57/431531357.db2.gz MGHNACOAOSQUIY-LJQANCHMSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154602 431531362 /nfs/dbraw/zinc/53/13/62/431531362.db2.gz MGHNACOAOSQUIY-LJQANCHMSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154602 431531367 /nfs/dbraw/zinc/53/13/67/431531367.db2.gz MGHNACOAOSQUIY-LJQANCHMSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000076002261 431515377 /nfs/dbraw/zinc/51/53/77/431515377.db2.gz KTRGXIDNSSGKHF-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000076002261 431515382 /nfs/dbraw/zinc/51/53/82/431515382.db2.gz KTRGXIDNSSGKHF-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP COc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446354 431549810 /nfs/dbraw/zinc/54/98/10/431549810.db2.gz YGCGPJHQHOBVAF-SFHVURJKSA-N 2 1 310.441 3.307 20 0 DGADMP COc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446354 431549816 /nfs/dbraw/zinc/54/98/16/431549816.db2.gz YGCGPJHQHOBVAF-SFHVURJKSA-N 2 1 310.441 3.307 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000121238073 431758780 /nfs/dbraw/zinc/75/87/80/431758780.db2.gz LKYSXIDKZMTQDI-SQGPQFPESA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000121238073 431758786 /nfs/dbraw/zinc/75/87/86/431758786.db2.gz LKYSXIDKZMTQDI-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000121238073 431758793 /nfs/dbraw/zinc/75/87/93/431758793.db2.gz LKYSXIDKZMTQDI-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000121238073 431758801 /nfs/dbraw/zinc/75/88/01/431758801.db2.gz LKYSXIDKZMTQDI-SQGPQFPESA-N 2 1 317.521 3.347 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1N(C)C ZINC000119711870 431714429 /nfs/dbraw/zinc/71/44/29/431714429.db2.gz WXHQXNPAOLWZAH-CYBMUJFWSA-N 2 1 305.441 3.169 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CCC2 ZINC000121495208 431794838 /nfs/dbraw/zinc/79/48/38/431794838.db2.gz OUBGGNUUSWAWCW-BXUZGUMPSA-N 2 1 304.463 3.260 20 0 DGADMP Brc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408206 431847145 /nfs/dbraw/zinc/84/71/45/431847145.db2.gz FDDPJHCXBUQFQT-ZDUSSCGKSA-N 2 1 309.251 3.023 20 0 DGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000123400694 431863684 /nfs/dbraw/zinc/86/36/84/431863684.db2.gz WEPCENJYJVQKBZ-SFHVURJKSA-N 2 1 311.429 3.038 20 0 DGADMP C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000089614600 431871803 /nfs/dbraw/zinc/87/18/03/431871803.db2.gz YNPZEEFMWJVJSJ-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000089614600 431871806 /nfs/dbraw/zinc/87/18/06/431871806.db2.gz YNPZEEFMWJVJSJ-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000089614600 431871808 /nfs/dbraw/zinc/87/18/08/431871808.db2.gz YNPZEEFMWJVJSJ-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000125226619 431918378 /nfs/dbraw/zinc/91/83/78/431918378.db2.gz XXZWERHLHWKENM-PKOBYXMFSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000125226619 431918379 /nfs/dbraw/zinc/91/83/79/431918379.db2.gz XXZWERHLHWKENM-PKOBYXMFSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000125226619 431918382 /nfs/dbraw/zinc/91/83/82/431918382.db2.gz XXZWERHLHWKENM-PKOBYXMFSA-N 2 1 301.478 3.374 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)nc(C)[nH+]1 ZINC000124378363 431891437 /nfs/dbraw/zinc/89/14/37/431891437.db2.gz BYCDPMFGXSMYMB-INIZCTEOSA-N 2 1 300.450 3.008 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124353044 431891979 /nfs/dbraw/zinc/89/19/79/431891979.db2.gz RDHUYNXGOUWPIS-QWHCGFSZSA-N 2 1 310.388 3.423 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000124361177 431892204 /nfs/dbraw/zinc/89/22/04/431892204.db2.gz RLURXZIKCHLFDU-RHSMWYFYSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000090806269 431895769 /nfs/dbraw/zinc/89/57/69/431895769.db2.gz BCAOVMPSULIEBY-KEYYUXOJSA-N 2 1 310.869 3.175 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000090937212 431897918 /nfs/dbraw/zinc/89/79/18/431897918.db2.gz BXMGZOROWPLNQC-CQSZACIVSA-N 2 1 317.433 3.028 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000097899253 431975544 /nfs/dbraw/zinc/97/55/44/431975544.db2.gz UORNBGOPSUQMKK-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000098143755 431979317 /nfs/dbraw/zinc/97/93/17/431979317.db2.gz XUQCSGCEHGKTLK-YOEHRIQHSA-N 2 1 310.869 3.083 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702195 281020020 /nfs/dbraw/zinc/02/00/20/281020020.db2.gz HZSRYQXEJUXPEW-SOLBZPMBSA-N 2 1 318.461 3.001 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432412626 281270225 /nfs/dbraw/zinc/27/02/25/281270225.db2.gz CJGKKKSCORKQOM-LPHOPBHVSA-N 2 1 302.462 3.073 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000152080212 432303156 /nfs/dbraw/zinc/30/31/56/432303156.db2.gz UQYIVARFMVNXTQ-RVKKMQEKSA-N 2 1 308.441 3.303 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1N(C)C ZINC000191518647 432273480 /nfs/dbraw/zinc/27/34/80/432273480.db2.gz YXYIQTOZSGECBD-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1N(C)C ZINC000191518647 432273484 /nfs/dbraw/zinc/27/34/84/432273484.db2.gz YXYIQTOZSGECBD-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(Br)s1 ZINC000270698771 432278561 /nfs/dbraw/zinc/27/85/61/432278561.db2.gz ZPKWHFNUICCTJS-UHFFFAOYSA-N 2 1 314.252 3.148 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(Br)s1 ZINC000270698771 432278564 /nfs/dbraw/zinc/27/85/64/432278564.db2.gz ZPKWHFNUICCTJS-UHFFFAOYSA-N 2 1 314.252 3.148 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000248411079 432287629 /nfs/dbraw/zinc/28/76/29/432287629.db2.gz HWYCMMFBLULXIX-GUDVDZBRSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCO1 ZINC000248424016 432290065 /nfs/dbraw/zinc/29/00/65/432290065.db2.gz ZPBNZTCPIZZXHC-UAFMIMERSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccsc1 ZINC000248436741 432290882 /nfs/dbraw/zinc/29/08/82/432290882.db2.gz GOQROCGQOQONPB-KBXCAEBGSA-N 2 1 316.470 3.166 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000183514239 432299452 /nfs/dbraw/zinc/29/94/52/432299452.db2.gz NKXRFGNPZXBXQN-VJUNAUMWSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000183514239 432299456 /nfs/dbraw/zinc/29/94/56/432299456.db2.gz NKXRFGNPZXBXQN-VJUNAUMWSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)c1ccccc1 ZINC000248003993 432261601 /nfs/dbraw/zinc/26/16/01/432261601.db2.gz KQHMMTKOCAZZJH-MJGOQNOKSA-N 2 1 318.505 3.179 20 0 DGADMP CCOCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183124811 432261712 /nfs/dbraw/zinc/26/17/12/432261712.db2.gz JQPGCCYTBMRPMV-HSALFYBXSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248009955 432262274 /nfs/dbraw/zinc/26/22/74/432262274.db2.gz LDZUPKYTHORDKE-ROUUACIJSA-N 2 1 308.441 3.103 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270607928 432263763 /nfs/dbraw/zinc/26/37/63/432263763.db2.gz HVCSGEKYMKHHAP-HZPDHXFCSA-N 2 1 319.474 3.231 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270607928 432263770 /nfs/dbraw/zinc/26/37/70/432263770.db2.gz HVCSGEKYMKHHAP-HZPDHXFCSA-N 2 1 319.474 3.231 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(CCCCC4)O3)CC[C@H]21 ZINC000248878415 432324733 /nfs/dbraw/zinc/32/47/33/432324733.db2.gz WIBTWGSZDJGFOE-KZNAEPCWSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CC[C@H]21 ZINC000248878415 432324736 /nfs/dbraw/zinc/32/47/36/432324736.db2.gz WIBTWGSZDJGFOE-KZNAEPCWSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CC[C@H]21 ZINC000248878415 432324738 /nfs/dbraw/zinc/32/47/38/432324738.db2.gz WIBTWGSZDJGFOE-KZNAEPCWSA-N 2 1 306.494 3.284 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CCOCC2)C3)cc1 ZINC000248993173 432332319 /nfs/dbraw/zinc/33/23/19/432332319.db2.gz OAUZOGCUOOVBFE-OWZKRDHZSA-N 2 1 314.473 3.198 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CCOCC2)C3)cc1 ZINC000248993172 432332453 /nfs/dbraw/zinc/33/24/53/432332453.db2.gz OAUZOGCUOOVBFE-ACDBMABISA-N 2 1 314.473 3.198 20 0 DGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000249000334 432332813 /nfs/dbraw/zinc/33/28/13/432332813.db2.gz QHILSCQVPDIBKH-KRWWSPQJSA-N 2 1 321.896 3.158 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192131443 432335064 /nfs/dbraw/zinc/33/50/64/432335064.db2.gz AZOHBBZJLVEAQQ-DLBZAZTESA-N 2 1 312.404 3.116 20 0 DGADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249057320 432336814 /nfs/dbraw/zinc/33/68/14/432336814.db2.gz ZAHWOGQPEXNPIF-PLOWYNNNSA-N 2 1 302.462 3.195 20 0 DGADMP CC(C)OCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174397007 432344288 /nfs/dbraw/zinc/34/42/88/432344288.db2.gz LSGFATLZCDPAPP-IBGZPJMESA-N 2 1 304.478 3.255 20 0 DGADMP CC(C)OCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397007 432344293 /nfs/dbraw/zinc/34/42/93/432344293.db2.gz LSGFATLZCDPAPP-IBGZPJMESA-N 2 1 304.478 3.255 20 0 DGADMP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173879409 432304466 /nfs/dbraw/zinc/30/44/66/432304466.db2.gz JYXGJMHNAQTFDG-KRWDZBQOSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173879409 432304470 /nfs/dbraw/zinc/30/44/70/432304470.db2.gz JYXGJMHNAQTFDG-KRWDZBQOSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152211254 432313909 /nfs/dbraw/zinc/31/39/09/432313909.db2.gz JZRQMIJHZVTDOI-MXWKQRLJSA-N 2 1 321.412 3.023 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249990855 432362659 /nfs/dbraw/zinc/36/26/59/432362659.db2.gz ZSSNHHCPILYBJM-OTWHNJEPSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000192925118 432428721 /nfs/dbraw/zinc/42/87/21/432428721.db2.gz BJWOYCTXYVWQKV-HNNXBMFYSA-N 2 1 306.450 3.230 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000261564997 432430550 /nfs/dbraw/zinc/43/05/50/432430550.db2.gz XYNRQXQPEXKOKL-PMACEKPBSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000261564997 432430555 /nfs/dbraw/zinc/43/05/55/432430555.db2.gz XYNRQXQPEXKOKL-PMACEKPBSA-N 2 1 322.452 3.307 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000261548995 432430948 /nfs/dbraw/zinc/43/09/48/432430948.db2.gz OERVKJPPFFEQSP-APWZRJJASA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000261548995 432430950 /nfs/dbraw/zinc/43/09/50/432430950.db2.gz OERVKJPPFFEQSP-APWZRJJASA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550422 432431261 /nfs/dbraw/zinc/43/12/61/432431261.db2.gz PLJZUEIYTFNYPW-OJAHFUOMSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550422 432431265 /nfs/dbraw/zinc/43/12/65/432431265.db2.gz PLJZUEIYTFNYPW-OJAHFUOMSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550422 432431267 /nfs/dbraw/zinc/43/12/67/432431267.db2.gz PLJZUEIYTFNYPW-OJAHFUOMSA-N 2 1 315.505 3.004 20 0 DGADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559247 432431637 /nfs/dbraw/zinc/43/16/37/432431637.db2.gz SYPXBYLQGSABII-UIFIKXQLSA-N 2 1 321.468 3.243 20 0 DGADMP C[C@@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622808 432435973 /nfs/dbraw/zinc/43/59/73/432435973.db2.gz DOJRBGMOKCLRPK-SWLSCSKDSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000261622808 432435979 /nfs/dbraw/zinc/43/59/79/432435979.db2.gz DOJRBGMOKCLRPK-SWLSCSKDSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000261709370 432442873 /nfs/dbraw/zinc/44/28/73/432442873.db2.gz MJSYDHRNAJJBNZ-HXUWFJFHSA-N 2 1 323.440 3.110 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000261709370 432442876 /nfs/dbraw/zinc/44/28/76/432442876.db2.gz MJSYDHRNAJJBNZ-HXUWFJFHSA-N 2 1 323.440 3.110 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@@H]21 ZINC000261797821 432451356 /nfs/dbraw/zinc/45/13/56/432451356.db2.gz GTJTYZWGBWTEAB-NZSAHSFTSA-N 2 1 300.446 3.035 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000261813289 432452043 /nfs/dbraw/zinc/45/20/43/432452043.db2.gz XBHQVRAKZYWDOA-CQSZACIVSA-N 2 1 303.233 3.043 20 0 DGADMP C[C@H]([NH2+]Cc1cncs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272142577 432452575 /nfs/dbraw/zinc/45/25/75/432452575.db2.gz BTVVANHDGUMNNY-HOCLYGCPSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@H]([NH2+]Cc1cncs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272142577 432452582 /nfs/dbraw/zinc/45/25/82/432452582.db2.gz BTVVANHDGUMNNY-HOCLYGCPSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000193146640 432454041 /nfs/dbraw/zinc/45/40/41/432454041.db2.gz ICRGETMNGFQFKN-AYOQOUSVSA-N 2 1 316.489 3.168 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193139162 432454885 /nfs/dbraw/zinc/45/48/85/432454885.db2.gz ATZPLOMSZBXUJY-OLZOCXBDSA-N 2 1 305.447 3.366 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271501686 432407862 /nfs/dbraw/zinc/40/78/62/432407862.db2.gz NINPSLSFIPHKBQ-BONVTDFDSA-N 2 1 317.260 3.099 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000184578243 432408370 /nfs/dbraw/zinc/40/83/70/432408370.db2.gz HGDBVBRMILUEMP-BHYGNILZSA-N 2 1 302.462 3.187 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192761516 432410813 /nfs/dbraw/zinc/41/08/13/432410813.db2.gz CLYVXEMZENREML-RBUKOAKNSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785204 432414332 /nfs/dbraw/zinc/41/43/32/432414332.db2.gz YGPRYKLSWQBLOO-HUUCEWRRSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785204 432414334 /nfs/dbraw/zinc/41/43/34/432414334.db2.gz YGPRYKLSWQBLOO-HUUCEWRRSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000271525708 432414639 /nfs/dbraw/zinc/41/46/39/432414639.db2.gz REAKYSOEYKUDKZ-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000184657135 432417546 /nfs/dbraw/zinc/41/75/46/432417546.db2.gz ZHDJJIZENVPDSM-MSOLQXFVSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000262051601 432472234 /nfs/dbraw/zinc/47/22/34/432472234.db2.gz ZPBCTKRINDSJOU-SJLPKXTDSA-N 2 1 324.472 3.409 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC3 ZINC000272266124 432474153 /nfs/dbraw/zinc/47/41/53/432474153.db2.gz BGVVWNYJIJAGMH-MRXNPFEDSA-N 2 1 309.457 3.185 20 0 DGADMP COc1cccc2c(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)ccnc12 ZINC000193488331 432475337 /nfs/dbraw/zinc/47/53/37/432475337.db2.gz XXQANSQQFSCPCR-ZBFHGGJFSA-N 2 1 311.429 3.164 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262137547 432477391 /nfs/dbraw/zinc/47/73/91/432477391.db2.gz MBUQBBJKIWUFLE-XTBFLFJDSA-N 2 1 310.388 3.408 20 0 DGADMP C[C@H](Nc1ncnc2[nH]ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321389 432481702 /nfs/dbraw/zinc/48/17/02/432481702.db2.gz UCDUEGHSTHXBNJ-HOCLYGCPSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272321389 432481705 /nfs/dbraw/zinc/48/17/05/432481705.db2.gz UCDUEGHSTHXBNJ-HOCLYGCPSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321389 432481707 /nfs/dbraw/zinc/48/17/07/432481707.db2.gz UCDUEGHSTHXBNJ-HOCLYGCPSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262398036 432485141 /nfs/dbraw/zinc/48/51/41/432485141.db2.gz CAJXKIZUAZHYNG-MRVWCRGKSA-N 2 1 314.351 3.188 20 0 DGADMP Cc1cc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C(C)C ZINC000262437142 432486063 /nfs/dbraw/zinc/48/60/63/432486063.db2.gz GLIYHVGBWNQIBV-QFBILLFUSA-N 2 1 302.462 3.181 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C(C)C ZINC000262437142 432486067 /nfs/dbraw/zinc/48/60/67/432486067.db2.gz GLIYHVGBWNQIBV-QFBILLFUSA-N 2 1 302.462 3.181 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]12 ZINC000262473187 432488620 /nfs/dbraw/zinc/48/86/20/432488620.db2.gz JKGHRVZVOGDOKD-UHOFOFEASA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]12 ZINC000262473187 432488622 /nfs/dbraw/zinc/48/86/22/432488622.db2.gz JKGHRVZVOGDOKD-UHOFOFEASA-N 2 1 317.820 3.164 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272371577 432489603 /nfs/dbraw/zinc/48/96/03/432489603.db2.gz UTSFBDSHLCIDLC-SCTDSRPQSA-N 2 1 304.478 3.302 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000154380505 432494428 /nfs/dbraw/zinc/49/44/28/432494428.db2.gz VBZPIKQZKIXCMZ-AEFFLSMTSA-N 2 1 304.478 3.290 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154457488 432499637 /nfs/dbraw/zinc/49/96/37/432499637.db2.gz WPOVRQMVIZZZAN-GOSISDBHSA-N 2 1 317.521 3.317 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000154543561 432505768 /nfs/dbraw/zinc/50/57/68/432505768.db2.gz XKHRQUMKUJBVHO-IBGZPJMESA-N 2 1 309.542 3.353 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000193977764 432513208 /nfs/dbraw/zinc/51/32/08/432513208.db2.gz KOKZDJLTKKKPJQ-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000154541431 432506832 /nfs/dbraw/zinc/50/68/32/432506832.db2.gz MQJKDCXURQROQS-GOSISDBHSA-N 2 1 303.494 3.063 20 0 DGADMP Cc1ncsc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195320 432460678 /nfs/dbraw/zinc/46/06/78/432460678.db2.gz NLEUGCYZVZZELJ-RHSMWYFYSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195320 432460685 /nfs/dbraw/zinc/46/06/85/432460685.db2.gz NLEUGCYZVZZELJ-RHSMWYFYSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261925708 432461605 /nfs/dbraw/zinc/46/16/05/432461605.db2.gz KZSJCOMXIPVCKA-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC2CCCC2)c1 ZINC000262030972 432470239 /nfs/dbraw/zinc/47/02/39/432470239.db2.gz OCESWDXOINIIKY-IBGZPJMESA-N 2 1 300.446 3.193 20 0 DGADMP c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC2CCCC2)c1 ZINC000262030972 432470242 /nfs/dbraw/zinc/47/02/42/432470242.db2.gz OCESWDXOINIIKY-IBGZPJMESA-N 2 1 300.446 3.193 20 0 DGADMP COC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969089 432514333 /nfs/dbraw/zinc/51/43/33/432514333.db2.gz SULYSRJFEQMTAK-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969089 432514336 /nfs/dbraw/zinc/51/43/36/432514336.db2.gz SULYSRJFEQMTAK-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000193969089 432514341 /nfs/dbraw/zinc/51/43/41/432514341.db2.gz SULYSRJFEQMTAK-GUYCJALGSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)([NH+](C)C)C1 ZINC000193987660 432515505 /nfs/dbraw/zinc/51/55/05/432515505.db2.gz BGMVVQKCVUCEAP-DUQPFJRNSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]([NH2+]Cc1ccnc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666095 432521763 /nfs/dbraw/zinc/52/17/63/432521763.db2.gz JUIABEIRPGCVMQ-DZGCQCFKSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1ccnc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666095 432521767 /nfs/dbraw/zinc/52/17/67/432521767.db2.gz JUIABEIRPGCVMQ-DZGCQCFKSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666117 432522480 /nfs/dbraw/zinc/52/24/80/432522480.db2.gz JUIABEIRPGCVMQ-UKRRQHHQSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666117 432522484 /nfs/dbraw/zinc/52/24/84/432522484.db2.gz JUIABEIRPGCVMQ-UKRRQHHQSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]CCOc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734306 432528719 /nfs/dbraw/zinc/52/87/19/432528719.db2.gz ZGUODPDRSMQCGO-IRXDYDNUSA-N 2 1 302.462 3.308 20 0 DGADMP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155116612 432539170 /nfs/dbraw/zinc/53/91/70/432539170.db2.gz FBUDPRQPAQRWCY-MAUKXSAKSA-N 2 1 313.445 3.122 20 0 DGADMP COCCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000156990162 432612696 /nfs/dbraw/zinc/61/26/96/432612696.db2.gz VFGBBKDQWRUEQW-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990162 432612698 /nfs/dbraw/zinc/61/26/98/432612698.db2.gz VFGBBKDQWRUEQW-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990162 432612708 /nfs/dbraw/zinc/61/27/08/432612708.db2.gz VFGBBKDQWRUEQW-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990162 432612710 /nfs/dbraw/zinc/61/27/10/432612710.db2.gz VFGBBKDQWRUEQW-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156990162 432612715 /nfs/dbraw/zinc/61/27/15/432612715.db2.gz VFGBBKDQWRUEQW-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP c1cc2c(nc[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000263714096 432567990 /nfs/dbraw/zinc/56/79/90/432567990.db2.gz AEVLFVUHWJSZMH-UHFFFAOYSA-N 2 1 321.428 3.077 20 0 DGADMP CC(C)[N@H+](C)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000155767675 432572832 /nfs/dbraw/zinc/57/28/32/432572832.db2.gz DVDUSVVBTYJNLV-UHFFFAOYSA-N 2 1 323.912 3.234 20 0 DGADMP CC(C)[N@@H+](C)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000155767675 432572835 /nfs/dbraw/zinc/57/28/35/432572835.db2.gz DVDUSVVBTYJNLV-UHFFFAOYSA-N 2 1 323.912 3.234 20 0 DGADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000186499013 432601493 /nfs/dbraw/zinc/60/14/93/432601493.db2.gz DPEGQBPUTJBFIZ-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157343966 432619746 /nfs/dbraw/zinc/61/97/46/432619746.db2.gz WJEWKJHTDXBZNQ-GOSISDBHSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157343966 432619748 /nfs/dbraw/zinc/61/97/48/432619748.db2.gz WJEWKJHTDXBZNQ-GOSISDBHSA-N 2 1 302.462 3.100 20 0 DGADMP CO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000273633066 432619789 /nfs/dbraw/zinc/61/97/89/432619789.db2.gz SQCKWQGPOPGODW-KRWDZBQOSA-N 2 1 319.836 3.278 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000186688238 432622078 /nfs/dbraw/zinc/62/20/78/432622078.db2.gz BDJSWXWPRYIPSY-OAHLLOKOSA-N 2 1 322.468 3.287 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000177488078 432629019 /nfs/dbraw/zinc/62/90/19/432629019.db2.gz SVKAQSCKJHYUBK-OAHLLOKOSA-N 2 1 308.441 3.366 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000177489553 432629504 /nfs/dbraw/zinc/62/95/04/432629504.db2.gz KSVADRCYXOEHCJ-OAHLLOKOSA-N 2 1 308.441 3.366 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000274443027 432668738 /nfs/dbraw/zinc/66/87/38/432668738.db2.gz QSQMDICRUZNZDD-LESCRADOSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000274443027 432668741 /nfs/dbraw/zinc/66/87/41/432668741.db2.gz QSQMDICRUZNZDD-LESCRADOSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1F ZINC000274443027 432668746 /nfs/dbraw/zinc/66/87/46/432668746.db2.gz QSQMDICRUZNZDD-LESCRADOSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1F ZINC000274443027 432668750 /nfs/dbraw/zinc/66/87/50/432668750.db2.gz QSQMDICRUZNZDD-LESCRADOSA-N 2 1 320.452 3.039 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000423032925 282075464 /nfs/dbraw/zinc/07/54/64/282075464.db2.gz FUCLCGBRGGKRMI-OKZBNKHCSA-N 3 1 307.526 3.009 20 0 DGADMP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000274326787 432652204 /nfs/dbraw/zinc/65/22/04/432652204.db2.gz DXESEJGTMSFOFY-GFCCVEGCSA-N 2 1 312.255 3.012 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000274326787 432652207 /nfs/dbraw/zinc/65/22/07/432652207.db2.gz DXESEJGTMSFOFY-GFCCVEGCSA-N 2 1 312.255 3.012 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000158654456 432653505 /nfs/dbraw/zinc/65/35/05/432653505.db2.gz BUSQDDWPVSGEMY-QLFBSQMISA-N 2 1 304.482 3.112 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000158654456 432653507 /nfs/dbraw/zinc/65/35/07/432653507.db2.gz BUSQDDWPVSGEMY-QLFBSQMISA-N 2 1 304.482 3.112 20 0 DGADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000274342351 432654724 /nfs/dbraw/zinc/65/47/24/432654724.db2.gz IPMTWENUVAOMRK-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000158866173 432660506 /nfs/dbraw/zinc/66/05/06/432660506.db2.gz QMDOFNQNXXLHLH-LJQANCHMSA-N 2 1 321.553 3.449 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000158866173 432660511 /nfs/dbraw/zinc/66/05/11/432660511.db2.gz QMDOFNQNXXLHLH-LJQANCHMSA-N 2 1 321.553 3.449 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000158866173 432660512 /nfs/dbraw/zinc/66/05/12/432660512.db2.gz QMDOFNQNXXLHLH-LJQANCHMSA-N 2 1 321.553 3.449 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158859734 432660805 /nfs/dbraw/zinc/66/08/05/432660805.db2.gz VKQOHGQMRMZATL-PKOBYXMFSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000158883240 432660990 /nfs/dbraw/zinc/66/09/90/432660990.db2.gz BANYEWZFZFBNNQ-ZWKOTPCHSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000159039461 432667094 /nfs/dbraw/zinc/66/70/94/432667094.db2.gz KZCHDEJWRVFEPJ-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000159039461 432667099 /nfs/dbraw/zinc/66/70/99/432667099.db2.gz KZCHDEJWRVFEPJ-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000274682973 432698337 /nfs/dbraw/zinc/69/83/37/432698337.db2.gz RYTSWSJMIPFENT-INIZCTEOSA-N 2 1 312.461 3.279 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274743443 432703563 /nfs/dbraw/zinc/70/35/63/432703563.db2.gz AMJHGJCTUIOIKT-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000274758512 432705770 /nfs/dbraw/zinc/70/57/70/432705770.db2.gz DCPJCSIGDIZEPE-CEXWTWQISA-N 2 1 316.489 3.038 20 0 DGADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000274824917 432713443 /nfs/dbraw/zinc/71/34/43/432713443.db2.gz CCGNGWLCHHLGCS-QXAKKESOSA-N 2 1 304.478 3.158 20 0 DGADMP COCC1=CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000187613502 432672705 /nfs/dbraw/zinc/67/27/05/432672705.db2.gz DEPBPIGGTAECBM-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP COCC1=CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000187613502 432672709 /nfs/dbraw/zinc/67/27/09/432672709.db2.gz DEPBPIGGTAECBM-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP COCC1=CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000187613502 432672712 /nfs/dbraw/zinc/67/27/12/432672712.db2.gz DEPBPIGGTAECBM-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP COCC1=CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000187613502 432672716 /nfs/dbraw/zinc/67/27/16/432672716.db2.gz DEPBPIGGTAECBM-UHFFFAOYSA-N 2 1 316.489 3.423 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000177932049 432676103 /nfs/dbraw/zinc/67/61/03/432676103.db2.gz YNXUGSSYFHTOTI-CRAIPNDOSA-N 2 1 308.441 3.305 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000159253731 432676396 /nfs/dbraw/zinc/67/63/96/432676396.db2.gz USMLKGSBNLFQNY-QFBILLFUSA-N 2 1 308.510 3.436 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319145 432679580 /nfs/dbraw/zinc/67/95/80/432679580.db2.gz OZLNJQLKCOCVIF-LLVKDONJSA-N 2 1 304.331 3.405 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000178039679 432688155 /nfs/dbraw/zinc/68/81/55/432688155.db2.gz MJURFCJCUZSNDR-XHSDSOJGSA-N 2 1 308.441 3.366 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000275772405 432747566 /nfs/dbraw/zinc/74/75/66/432747566.db2.gz VEIYNCUTMALOCZ-OAHLLOKOSA-N 2 1 312.461 3.316 20 0 DGADMP Fc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000189018558 432758865 /nfs/dbraw/zinc/75/88/65/432758865.db2.gz CYCVHVLWCPOIJM-OAHLLOKOSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000189018558 432758870 /nfs/dbraw/zinc/75/88/70/432758870.db2.gz CYCVHVLWCPOIJM-OAHLLOKOSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000189018558 432758873 /nfs/dbraw/zinc/75/88/73/432758873.db2.gz CYCVHVLWCPOIJM-OAHLLOKOSA-N 2 1 319.449 3.284 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000236762672 432764664 /nfs/dbraw/zinc/76/46/64/432764664.db2.gz NWZUHNGSZWYRPB-OAHLLOKOSA-N 2 1 301.434 3.405 20 0 DGADMP COCCC1(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCCCC1 ZINC000189144729 432766119 /nfs/dbraw/zinc/76/61/19/432766119.db2.gz VFXVEXQYZKTPAY-MRXNPFEDSA-N 2 1 307.482 3.404 20 0 DGADMP Cc1noc(C)c1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266610617 432771637 /nfs/dbraw/zinc/77/16/37/432771637.db2.gz ZTMHGFHDBJEXQI-SFHVURJKSA-N 2 1 313.445 3.245 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(O)CCCCC1 ZINC000237129809 432777103 /nfs/dbraw/zinc/77/71/03/432777103.db2.gz NOSOWJRBTDLCHL-UHFFFAOYSA-N 2 1 318.505 3.429 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189319249 432778243 /nfs/dbraw/zinc/77/82/43/432778243.db2.gz FGPXVHXMGSJHBI-AWEZNQCLSA-N 2 1 308.429 3.474 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)CC[N@H+]1C ZINC000188557400 432731607 /nfs/dbraw/zinc/73/16/07/432731607.db2.gz YPEXGWZVYHPAKN-XJKSGUPXSA-N 2 1 319.880 3.447 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000234263218 432738453 /nfs/dbraw/zinc/73/84/53/432738453.db2.gz QGHVHKPTGHVQBH-CYBMUJFWSA-N 2 1 317.260 3.446 20 0 DGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn(C)c2c1 ZINC000188697003 432740796 /nfs/dbraw/zinc/74/07/96/432740796.db2.gz BIVOCPQFJNYTDJ-FRQCXROJSA-N 2 1 313.489 3.348 20 0 DGADMP CC[C@](C)(O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000189739124 432815952 /nfs/dbraw/zinc/81/59/52/432815952.db2.gz VLUDVFKHHWIYLZ-OALUTQOASA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000189739124 432815955 /nfs/dbraw/zinc/81/59/55/432815955.db2.gz VLUDVFKHHWIYLZ-OALUTQOASA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000189739124 432815958 /nfs/dbraw/zinc/81/59/58/432815958.db2.gz VLUDVFKHHWIYLZ-OALUTQOASA-N 2 1 304.478 3.134 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OCC ZINC000276643233 432823243 /nfs/dbraw/zinc/82/32/43/432823243.db2.gz LDFJDTDOJGKLCK-AWEZNQCLSA-N 2 1 317.433 3.111 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000276608849 432823352 /nfs/dbraw/zinc/82/33/52/432823352.db2.gz CFJQPZUAUPDIEI-HNNXBMFYSA-N 2 1 317.477 3.418 20 0 DGADMP Clc1cnn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000162512678 432826220 /nfs/dbraw/zinc/82/62/20/432826220.db2.gz LZIIRFBFWKTIOP-UHFFFAOYSA-N 2 1 310.873 3.049 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000277005298 432827879 /nfs/dbraw/zinc/82/78/79/432827879.db2.gz XBZGVAUQRSFDJB-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000277005298 432827881 /nfs/dbraw/zinc/82/78/81/432827881.db2.gz XBZGVAUQRSFDJB-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162625807 432829714 /nfs/dbraw/zinc/82/97/14/432829714.db2.gz WBAPKGBFVHZBCT-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162625807 432829717 /nfs/dbraw/zinc/82/97/17/432829717.db2.gz WBAPKGBFVHZBCT-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000266879621 432792835 /nfs/dbraw/zinc/79/28/35/432792835.db2.gz PDAMYDDWCKDGCP-CQSZACIVSA-N 2 1 318.461 3.371 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277570738 432861436 /nfs/dbraw/zinc/86/14/36/432861436.db2.gz SOLBSRXDJTUYRA-GOSISDBHSA-N 2 1 312.461 3.301 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277570738 432861438 /nfs/dbraw/zinc/86/14/38/432861438.db2.gz SOLBSRXDJTUYRA-GOSISDBHSA-N 2 1 312.461 3.301 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000245763361 432862259 /nfs/dbraw/zinc/86/22/59/432862259.db2.gz VYWTXURMWSLZOY-YSTOQKLRSA-N 2 1 314.473 3.341 20 0 DGADMP CC(C)[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245764194 432862536 /nfs/dbraw/zinc/86/25/36/432862536.db2.gz WBFPPGGZCFSNJK-ACDBMABISA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245764194 432862538 /nfs/dbraw/zinc/86/25/38/432862538.db2.gz WBFPPGGZCFSNJK-ACDBMABISA-N 2 1 315.505 3.112 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000277611216 432864358 /nfs/dbraw/zinc/86/43/58/432864358.db2.gz WLRCDBPWOVXBEG-GOSISDBHSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000277611216 432864359 /nfs/dbraw/zinc/86/43/59/432864359.db2.gz WLRCDBPWOVXBEG-GOSISDBHSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000245927770 432869840 /nfs/dbraw/zinc/86/98/40/432869840.db2.gz RUPBVURTMMHABF-MKXGPGLRSA-N 2 1 320.521 3.292 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C12CCCC2 ZINC000245930112 432871287 /nfs/dbraw/zinc/87/12/87/432871287.db2.gz SFGVVMRVNPKALV-FGTMMUONSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000245981567 432873734 /nfs/dbraw/zinc/87/37/34/432873734.db2.gz PLEZIIFDLQNWTN-CVEARBPZSA-N 2 1 312.498 3.351 20 0 DGADMP CC[N@@H+](C[C@@H]1CCSC1)CC1CCN(c2ccccn2)CC1 ZINC000278409441 432894156 /nfs/dbraw/zinc/89/41/56/432894156.db2.gz GXOOQXCNUJGJOH-KRWDZBQOSA-N 2 1 319.518 3.373 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000245551441 432843104 /nfs/dbraw/zinc/84/31/04/432843104.db2.gz ISMOSTQXCAQXJT-MKXGPGLRSA-N 2 1 320.521 3.436 20 0 DGADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@H](c2ccccc2)O1 ZINC000268120480 432847364 /nfs/dbraw/zinc/84/73/64/432847364.db2.gz NOPKZMOQUTWNCZ-BHIYHBOVSA-N 2 1 302.462 3.323 20 0 DGADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1N1CCCC1 ZINC000163305980 432849004 /nfs/dbraw/zinc/84/90/04/432849004.db2.gz BALMXIRLBKUMGL-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1N1CCCC1 ZINC000163305980 432849008 /nfs/dbraw/zinc/84/90/08/432849008.db2.gz BALMXIRLBKUMGL-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1N1CCCC1 ZINC000163305980 432849012 /nfs/dbraw/zinc/84/90/12/432849012.db2.gz BALMXIRLBKUMGL-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1N1CCCC1 ZINC000163305980 432849015 /nfs/dbraw/zinc/84/90/15/432849015.db2.gz BALMXIRLBKUMGL-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1N1CCCC1 ZINC000163305980 432849019 /nfs/dbraw/zinc/84/90/19/432849019.db2.gz BALMXIRLBKUMGL-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)COc2ccccc2OC)[C@@H](C)C1 ZINC000245611428 432849627 /nfs/dbraw/zinc/84/96/27/432849627.db2.gz SVGGCHXGHDRPHW-ULQDDVLXSA-N 2 1 320.477 3.030 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245630602 432852060 /nfs/dbraw/zinc/85/20/60/432852060.db2.gz PWUSXUVVCOQSMM-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245630602 432852063 /nfs/dbraw/zinc/85/20/63/432852063.db2.gz PWUSXUVVCOQSMM-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245630602 432852065 /nfs/dbraw/zinc/85/20/65/432852065.db2.gz PWUSXUVVCOQSMM-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277491420 432855009 /nfs/dbraw/zinc/85/50/09/432855009.db2.gz NJZFRTGPGSZMCB-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277491420 432855012 /nfs/dbraw/zinc/85/50/12/432855012.db2.gz NJZFRTGPGSZMCB-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000163549587 432855024 /nfs/dbraw/zinc/85/50/24/432855024.db2.gz CGTNNJPMBRZYEM-XLIONFOSSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000163549587 432855027 /nfs/dbraw/zinc/85/50/27/432855027.db2.gz CGTNNJPMBRZYEM-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000163549587 432855031 /nfs/dbraw/zinc/85/50/31/432855031.db2.gz CGTNNJPMBRZYEM-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)[C@H](C)C1 ZINC000163549587 432855034 /nfs/dbraw/zinc/85/50/34/432855034.db2.gz CGTNNJPMBRZYEM-XLIONFOSSA-N 2 1 317.521 3.348 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cc1F ZINC000296559908 432922214 /nfs/dbraw/zinc/92/22/14/432922214.db2.gz VCRCHLHZCOLKDU-NHYWBVRUSA-N 2 1 305.422 3.161 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278971509 432923521 /nfs/dbraw/zinc/92/35/21/432923521.db2.gz NQCYNBGLWCRLCN-MJGOQNOKSA-N 2 1 309.457 3.365 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000289321220 432944353 /nfs/dbraw/zinc/94/43/53/432944353.db2.gz UQCJNPFTEDSQQG-QGZVFWFLSA-N 2 1 318.436 3.286 20 0 DGADMP Cc1cccnc1OC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000289341041 432946661 /nfs/dbraw/zinc/94/66/61/432946661.db2.gz FWHHJKJJFDIURP-QGZVFWFLSA-N 2 1 317.477 3.108 20 0 DGADMP Cc1cccnc1OC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000289341041 432946665 /nfs/dbraw/zinc/94/66/65/432946665.db2.gz FWHHJKJJFDIURP-QGZVFWFLSA-N 2 1 317.477 3.108 20 0 DGADMP Cc1ccncc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278899444 432914211 /nfs/dbraw/zinc/91/42/11/432914211.db2.gz PDGGSCVXXIFODI-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000296508669 432917094 /nfs/dbraw/zinc/91/70/94/432917094.db2.gz RJGYFFLBBLFTTB-FRQCXROJSA-N 2 1 302.462 3.115 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000279580002 432986066 /nfs/dbraw/zinc/98/60/66/432986066.db2.gz UJZKOPVCGPXSIY-SFHVURJKSA-N 2 1 315.461 3.094 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000349423484 432959503 /nfs/dbraw/zinc/95/95/03/432959503.db2.gz XRNKUWFKCCVDBJ-UHFFFAOYSA-N 2 1 318.440 3.380 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000349423484 432959507 /nfs/dbraw/zinc/95/95/07/432959507.db2.gz XRNKUWFKCCVDBJ-UHFFFAOYSA-N 2 1 318.440 3.380 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000349810899 433014233 /nfs/dbraw/zinc/01/42/33/433014233.db2.gz DMCXRICDCUWHSO-GOSISDBHSA-N 2 1 304.478 3.239 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000341307366 433023177 /nfs/dbraw/zinc/02/31/77/433023177.db2.gz SBGVBEABALIBDW-ORFRNNEJSA-N 2 1 316.489 3.036 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000290353145 433036861 /nfs/dbraw/zinc/03/68/61/433036861.db2.gz GFCJADRTUZIDEO-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000280340846 433036838 /nfs/dbraw/zinc/03/68/38/433036838.db2.gz QPNVDMTZUUKSSA-GJZGRUSLSA-N 2 1 318.461 3.047 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361735 433038115 /nfs/dbraw/zinc/03/81/15/433038115.db2.gz GWIQBEOGLMEWLQ-KXBFYZLASA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361735 433038119 /nfs/dbraw/zinc/03/81/19/433038119.db2.gz GWIQBEOGLMEWLQ-KXBFYZLASA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361735 433038123 /nfs/dbraw/zinc/03/81/23/433038123.db2.gz GWIQBEOGLMEWLQ-KXBFYZLASA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361735 433038128 /nfs/dbraw/zinc/03/81/28/433038128.db2.gz GWIQBEOGLMEWLQ-KXBFYZLASA-N 2 1 302.462 3.247 20 0 DGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466263 433059622 /nfs/dbraw/zinc/05/96/22/433059622.db2.gz NGCJCCDPUYTWEA-DOTOQJQBSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466263 433059629 /nfs/dbraw/zinc/05/96/29/433059629.db2.gz NGCJCCDPUYTWEA-DOTOQJQBSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466263 433059635 /nfs/dbraw/zinc/05/96/35/433059635.db2.gz NGCJCCDPUYTWEA-DOTOQJQBSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466263 433059643 /nfs/dbraw/zinc/05/96/43/433059643.db2.gz NGCJCCDPUYTWEA-DOTOQJQBSA-N 2 1 320.477 3.254 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000290484693 433063121 /nfs/dbraw/zinc/06/31/21/433063121.db2.gz OFZFNLXWNNXRGV-GOSISDBHSA-N 2 1 324.472 3.240 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cs2)[C@@H](C)C1 ZINC000453326677 433088787 /nfs/dbraw/zinc/08/87/87/433088787.db2.gz VIJIIDIYQJLSFC-DOTOQJQBSA-N 2 1 310.507 3.283 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cs2)[C@H](C)C1 ZINC000453326689 433090557 /nfs/dbraw/zinc/09/05/57/433090557.db2.gz VIJIIDIYQJLSFC-NVXWUHKLSA-N 2 1 310.507 3.283 20 0 DGADMP COCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000361298716 433090801 /nfs/dbraw/zinc/09/08/01/433090801.db2.gz YSIOJYIYDSJTTO-SFHVURJKSA-N 2 1 308.510 3.247 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000290553550 433091476 /nfs/dbraw/zinc/09/14/76/433091476.db2.gz RXGODTGDDSBIFK-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000290553550 433091485 /nfs/dbraw/zinc/09/14/85/433091485.db2.gz RXGODTGDDSBIFK-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCC1 ZINC000354514844 433122702 /nfs/dbraw/zinc/12/27/02/433122702.db2.gz RXLMNKCLTOANHI-DBVUQKKJSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCC1 ZINC000354514844 433122713 /nfs/dbraw/zinc/12/27/13/433122713.db2.gz RXLMNKCLTOANHI-DBVUQKKJSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000361350744 433126082 /nfs/dbraw/zinc/12/60/82/433126082.db2.gz IGYIMPKHHCTXCY-MSOLQXFVSA-N 2 1 304.478 3.191 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1O ZINC000290653954 433128203 /nfs/dbraw/zinc/12/82/03/433128203.db2.gz KFVYBCJBYFLMGV-JKSUJKDBSA-N 2 1 320.477 3.419 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000290653954 433128212 /nfs/dbraw/zinc/12/82/12/433128212.db2.gz KFVYBCJBYFLMGV-JKSUJKDBSA-N 2 1 320.477 3.419 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000280696192 433141513 /nfs/dbraw/zinc/14/15/13/433141513.db2.gz RZGRIQJEPNMYQW-UHFFFAOYSA-N 2 1 322.456 3.201 20 0 DGADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420303366 433154610 /nfs/dbraw/zinc/15/46/10/433154610.db2.gz NCODTGWWYOBKQM-SNVBAGLBSA-N 2 1 318.305 3.193 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388622 433146553 /nfs/dbraw/zinc/14/65/53/433146553.db2.gz BTIHTSJLOVTFHW-PXNSSMCTSA-N 3 1 321.553 3.494 20 0 DGADMP COc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000420295346 433147150 /nfs/dbraw/zinc/14/71/50/433147150.db2.gz AAJNXGKXJUEVJD-HOTGVXAUSA-N 2 1 302.462 3.295 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000420297938 433148138 /nfs/dbraw/zinc/14/81/38/433148138.db2.gz GRMCAAMTYFVJGU-AWEZNQCLSA-N 2 1 308.491 3.239 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21)C1CC1 ZINC000453392398 433148930 /nfs/dbraw/zinc/14/89/30/433148930.db2.gz FFZQMCZWHWZYSX-MRXNPFEDSA-N 2 1 319.424 3.063 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000453394567 433150683 /nfs/dbraw/zinc/15/06/83/433150683.db2.gz GZSYLDRNXAUQLX-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP CC[N@@H+](CCc1ccccc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420300975 433152113 /nfs/dbraw/zinc/15/21/13/433152113.db2.gz IFQUFUDUGKTOTG-LJQANCHMSA-N 2 1 312.457 3.302 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420300726 433152600 /nfs/dbraw/zinc/15/26/00/433152600.db2.gz DBVNKZMYDZPHQG-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP Cc1cc(N2CCN(Cc3ccccc3)C[C@H]2C)nc(C2CC2)n1 ZINC000341512514 433103303 /nfs/dbraw/zinc/10/33/03/433103303.db2.gz SRWGPLPMEMPZDS-MRXNPFEDSA-N 2 1 322.456 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000373139108 433104165 /nfs/dbraw/zinc/10/41/65/433104165.db2.gz KARRXQOSZBPKTF-MSOLQXFVSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000373139108 433104174 /nfs/dbraw/zinc/10/41/74/433104174.db2.gz KARRXQOSZBPKTF-MSOLQXFVSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1cc(N2CCN(Cc3ccccc3)C[C@@H]2C)nc(C2CC2)n1 ZINC000341512508 433104262 /nfs/dbraw/zinc/10/42/62/433104262.db2.gz SRWGPLPMEMPZDS-INIZCTEOSA-N 2 1 322.456 3.373 20 0 DGADMP CC(C)CC[C@@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000361316586 433105177 /nfs/dbraw/zinc/10/51/77/433105177.db2.gz RJVTZZLCVCBPFJ-HXUWFJFHSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361316586 433105186 /nfs/dbraw/zinc/10/51/86/433105186.db2.gz RJVTZZLCVCBPFJ-HXUWFJFHSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361316586 433105195 /nfs/dbraw/zinc/10/51/95/433105195.db2.gz RJVTZZLCVCBPFJ-HXUWFJFHSA-N 2 1 318.505 3.380 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000280609486 433106707 /nfs/dbraw/zinc/10/67/07/433106707.db2.gz JZIHYNLKQZCSCY-GOSISDBHSA-N 2 1 324.472 3.281 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000280609486 433106711 /nfs/dbraw/zinc/10/67/11/433106711.db2.gz JZIHYNLKQZCSCY-GOSISDBHSA-N 2 1 324.472 3.281 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361495396 433208614 /nfs/dbraw/zinc/20/86/14/433208614.db2.gz DPBGMISOYXFPGZ-HLIPFELVSA-N 3 1 315.505 3.142 20 0 DGADMP Brc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420310061 433156556 /nfs/dbraw/zinc/15/65/56/433156556.db2.gz UUIFBYLEGWCGDC-ZDUSSCGKSA-N 2 1 323.278 3.197 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000420305629 433156638 /nfs/dbraw/zinc/15/66/38/433156638.db2.gz PRQDGEWQRUDMQT-AOIWGVFYSA-N 2 1 302.462 3.147 20 0 DGADMP Cc1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420304856 433156913 /nfs/dbraw/zinc/15/69/13/433156913.db2.gz OTXZLFBWNZWYNM-SJLPKXTDSA-N 2 1 304.503 3.475 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@@H](c2cccs2)C1 ZINC000453401648 433159201 /nfs/dbraw/zinc/15/92/01/433159201.db2.gz ZFTCYXDJHJAAIL-RBGFHDKUSA-N 2 1 308.491 3.287 20 0 DGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453407149 433161448 /nfs/dbraw/zinc/16/14/48/433161448.db2.gz DISYNEMYTFBLQB-CQSZACIVSA-N 2 1 321.440 3.007 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000453409603 433161573 /nfs/dbraw/zinc/16/15/73/433161573.db2.gz WNVUHEWSQJETAU-DEYYWGMASA-N 2 1 308.441 3.085 20 0 DGADMP c1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000420318738 433162124 /nfs/dbraw/zinc/16/21/24/433162124.db2.gz ORLHCZDSAAIMIG-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311015 433162367 /nfs/dbraw/zinc/16/23/67/433162367.db2.gz GNCRGRARZLLALQ-LSDHHAIUSA-N 2 1 307.507 3.446 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000453409606 433164152 /nfs/dbraw/zinc/16/41/52/433164152.db2.gz WNVUHEWSQJETAU-LBTNJELSSA-N 2 1 308.441 3.085 20 0 DGADMP CCC[N@@H+](CCOc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000420326916 433166144 /nfs/dbraw/zinc/16/61/44/433166144.db2.gz XXMFJKYSIBJJNB-UHFFFAOYSA-N 2 1 314.832 3.322 20 0 DGADMP c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000420321072 433166302 /nfs/dbraw/zinc/16/63/02/433166302.db2.gz CGFSTTPIYNLXES-DLBZAZTESA-N 2 1 311.429 3.163 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324208 433167566 /nfs/dbraw/zinc/16/75/66/433167566.db2.gz HACSXCTZAHSVLL-ZFWWWQNUSA-N 2 1 308.853 3.088 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453419358 433172091 /nfs/dbraw/zinc/17/20/91/433172091.db2.gz YWKQGPPSGJXHLD-INIZCTEOSA-N 2 1 306.425 3.286 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ccccc2n1 ZINC000420333294 433173096 /nfs/dbraw/zinc/17/30/96/433173096.db2.gz SPCHHKAYAGJICM-DLBZAZTESA-N 2 1 309.457 3.365 20 0 DGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)c1ccccc1 ZINC000341624758 433174996 /nfs/dbraw/zinc/17/49/96/433174996.db2.gz UKYUVHLERDHSQS-SFHVURJKSA-N 2 1 316.493 3.326 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000420361120 433175183 /nfs/dbraw/zinc/17/51/83/433175183.db2.gz MSFXOEGEYXWEOE-UKRRQHHQSA-N 2 1 307.507 3.404 20 0 DGADMP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298556568 433176055 /nfs/dbraw/zinc/17/60/55/433176055.db2.gz VLOVMGIDXWHKLG-HNNXBMFYSA-N 2 1 302.462 3.405 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000420364919 433183076 /nfs/dbraw/zinc/18/30/76/433183076.db2.gz PNTRYWQWKXGULM-CYBMUJFWSA-N 2 1 304.356 3.047 20 0 DGADMP Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729359 433184079 /nfs/dbraw/zinc/18/40/79/433184079.db2.gz XHHYOEDTBCYZRU-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729359 433184099 /nfs/dbraw/zinc/18/40/99/433184099.db2.gz XHHYOEDTBCYZRU-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729359 433184107 /nfs/dbraw/zinc/18/41/07/433184107.db2.gz XHHYOEDTBCYZRU-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729359 433184115 /nfs/dbraw/zinc/18/41/15/433184115.db2.gz XHHYOEDTBCYZRU-PMACEKPBSA-N 2 1 322.452 3.346 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000298589754 433186172 /nfs/dbraw/zinc/18/61/72/433186172.db2.gz RQILYCFJNBXDAK-SFHVURJKSA-N 2 1 315.461 3.281 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@H](O)c1ccccc1 ZINC000298589754 433186185 /nfs/dbraw/zinc/18/61/85/433186185.db2.gz RQILYCFJNBXDAK-SFHVURJKSA-N 2 1 315.461 3.281 20 0 DGADMP Oc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729360 433188382 /nfs/dbraw/zinc/18/83/82/433188382.db2.gz XHHYOEDTBCYZRU-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729360 433188392 /nfs/dbraw/zinc/18/83/92/433188392.db2.gz XHHYOEDTBCYZRU-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729360 433188399 /nfs/dbraw/zinc/18/83/99/433188399.db2.gz XHHYOEDTBCYZRU-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP Oc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000336729360 433188411 /nfs/dbraw/zinc/18/84/11/433188411.db2.gz XHHYOEDTBCYZRU-UXHICEINSA-N 2 1 322.452 3.346 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453444351 433189120 /nfs/dbraw/zinc/18/91/20/433189120.db2.gz ZFTCYXDJHJAAIL-DGADGQDISA-N 2 1 308.491 3.287 20 0 DGADMP Cc1cc(Br)c2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420372747 433189291 /nfs/dbraw/zinc/18/92/91/433189291.db2.gz LYOWFWMVXWJEAS-CYBMUJFWSA-N 2 1 323.278 3.115 20 0 DGADMP Brc1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298603468 433189624 /nfs/dbraw/zinc/18/96/24/433189624.db2.gz ZIJNXBPPNLYUOY-UHFFFAOYSA-N 2 1 323.278 3.208 20 0 DGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420381566 433192741 /nfs/dbraw/zinc/19/27/41/433192741.db2.gz XZKYIAJFGJVEJE-IRXDYDNUSA-N 2 1 317.477 3.115 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@]3(C2)OCc2ccccc23)cn1 ZINC000354643058 433197459 /nfs/dbraw/zinc/19/74/59/433197459.db2.gz YKTLATSOCXJWLM-HXUWFJFHSA-N 2 1 308.425 3.454 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000447529953 433217853 /nfs/dbraw/zinc/21/78/53/433217853.db2.gz NGBXQVIKWXKGCJ-OALUTQOASA-N 2 1 304.478 3.429 20 0 DGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000447733167 433268637 /nfs/dbraw/zinc/26/86/37/433268637.db2.gz WWBODZPNWCBUEP-RYQLBKOJSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000447733167 433268638 /nfs/dbraw/zinc/26/86/38/433268638.db2.gz WWBODZPNWCBUEP-RYQLBKOJSA-N 2 1 322.880 3.332 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606102 433233199 /nfs/dbraw/zinc/23/31/99/433233199.db2.gz UKKQAOGDYNTCCU-RBUKOAKNSA-N 2 1 316.489 3.302 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374606102 433233208 /nfs/dbraw/zinc/23/32/08/433233208.db2.gz UKKQAOGDYNTCCU-RBUKOAKNSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnn1-c1ccccc1C ZINC000280961025 433239783 /nfs/dbraw/zinc/23/97/83/433239783.db2.gz SKBCVRPIFRTJEU-UHFFFAOYSA-N 2 1 323.444 3.256 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000291533788 433261423 /nfs/dbraw/zinc/26/14/23/433261423.db2.gz KORVECLYAGEBJT-WVHJRZPWSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000291533788 433261432 /nfs/dbraw/zinc/26/14/32/433261432.db2.gz KORVECLYAGEBJT-WVHJRZPWSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000291533788 433261439 /nfs/dbraw/zinc/26/14/39/433261439.db2.gz KORVECLYAGEBJT-WVHJRZPWSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000291533788 433261446 /nfs/dbraw/zinc/26/14/46/433261446.db2.gz KORVECLYAGEBJT-WVHJRZPWSA-N 2 1 322.399 3.185 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000291533788 433261453 /nfs/dbraw/zinc/26/14/53/433261453.db2.gz KORVECLYAGEBJT-WVHJRZPWSA-N 2 1 322.399 3.185 20 0 DGADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420921821 433318926 /nfs/dbraw/zinc/31/89/26/433318926.db2.gz DNBFXLKJKKPJQE-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420921821 433318933 /nfs/dbraw/zinc/31/89/33/433318933.db2.gz DNBFXLKJKKPJQE-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000338771993 433320321 /nfs/dbraw/zinc/32/03/21/433320321.db2.gz JMRURAYZIBDFBH-RPVQJOFSSA-N 2 1 321.896 3.158 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000338771993 433320331 /nfs/dbraw/zinc/32/03/31/433320331.db2.gz JMRURAYZIBDFBH-RPVQJOFSSA-N 2 1 321.896 3.158 20 0 DGADMP CCc1nocc1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000350748556 433273258 /nfs/dbraw/zinc/27/32/58/433273258.db2.gz QLNDMRIXANWXHR-JKSUJKDBSA-N 2 1 305.466 3.323 20 0 DGADMP Cc1cnn(CCCCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000350808117 433291834 /nfs/dbraw/zinc/29/18/34/433291834.db2.gz XNBYQXSJOHFGDL-LJQANCHMSA-N 2 1 318.509 3.026 20 0 DGADMP Cc1cnn(CCCCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350808117 433291845 /nfs/dbraw/zinc/29/18/45/433291845.db2.gz XNBYQXSJOHFGDL-LJQANCHMSA-N 2 1 318.509 3.026 20 0 DGADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350808117 433291854 /nfs/dbraw/zinc/29/18/54/433291854.db2.gz XNBYQXSJOHFGDL-LJQANCHMSA-N 2 1 318.509 3.026 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C1CC1)C1CC1 ZINC000420901806 433302081 /nfs/dbraw/zinc/30/20/81/433302081.db2.gz KXDZEWPARWMENT-UHFFFAOYSA-N 2 1 314.473 3.139 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C1CC1)C1CC1 ZINC000420901806 433302094 /nfs/dbraw/zinc/30/20/94/433302094.db2.gz KXDZEWPARWMENT-UHFFFAOYSA-N 2 1 314.473 3.139 20 0 DGADMP Cc1csc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895259 433303389 /nfs/dbraw/zinc/30/33/89/433303389.db2.gz MRQJJDNDJMMCSW-WBVHZDCISA-N 2 1 315.486 3.452 20 0 DGADMP C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420916342 433311787 /nfs/dbraw/zinc/31/17/87/433311787.db2.gz HHIQOSXVTHLFSH-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916342 433311796 /nfs/dbraw/zinc/31/17/96/433311796.db2.gz HHIQOSXVTHLFSH-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420916342 433311805 /nfs/dbraw/zinc/31/18/05/433311805.db2.gz HHIQOSXVTHLFSH-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000420955934 433348639 /nfs/dbraw/zinc/34/86/39/433348639.db2.gz YOEFUDXVBUGMHC-VQIMIIECSA-N 2 1 317.477 3.187 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000448024457 433351071 /nfs/dbraw/zinc/35/10/71/433351071.db2.gz YPMZNFVTTSFHPE-LJQANCHMSA-N 2 1 321.553 3.494 20 0 DGADMP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000448024457 433351074 /nfs/dbraw/zinc/35/10/74/433351074.db2.gz YPMZNFVTTSFHPE-LJQANCHMSA-N 2 1 321.553 3.494 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448034454 433354055 /nfs/dbraw/zinc/35/40/55/433354055.db2.gz ITURDFLPSZFTAH-KURKYZTESA-N 2 1 318.509 3.300 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC4(CCC4)C3)CC2)oc1C ZINC000448059776 433356048 /nfs/dbraw/zinc/35/60/48/433356048.db2.gz DXVCXGAXGNKIKU-UHFFFAOYSA-N 2 1 317.477 3.426 20 0 DGADMP C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420976203 433360144 /nfs/dbraw/zinc/36/01/44/433360144.db2.gz QTYZIULHUJLIGT-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420976203 433360149 /nfs/dbraw/zinc/36/01/49/433360149.db2.gz QTYZIULHUJLIGT-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000420986383 433365733 /nfs/dbraw/zinc/36/57/33/433365733.db2.gz YGJAWFCLULWJNR-MOPGFXCFSA-N 2 1 321.553 3.305 20 0 DGADMP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[N@H+]1C ZINC000420992712 433366308 /nfs/dbraw/zinc/36/63/08/433366308.db2.gz CRYUIOXHPYZQJI-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@@H]1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000420992712 433366318 /nfs/dbraw/zinc/36/63/18/433366318.db2.gz CRYUIOXHPYZQJI-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000420992712 433366327 /nfs/dbraw/zinc/36/63/27/433366327.db2.gz CRYUIOXHPYZQJI-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000420933504 433329055 /nfs/dbraw/zinc/32/90/55/433329055.db2.gz GBJXCLGUSWPCEF-PXNSSMCTSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CCC2 ZINC000339069217 433340293 /nfs/dbraw/zinc/34/02/93/433340293.db2.gz SAYMWNOXKLCYLT-QUCCMNQESA-N 2 1 316.489 3.055 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(C3CCC3)s2)CC1 ZINC000355036707 433427710 /nfs/dbraw/zinc/42/77/10/433427710.db2.gz IMNLZIVMVTULEG-UHFFFAOYSA-N 2 1 305.491 3.471 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174026 433431205 /nfs/dbraw/zinc/43/12/05/433431205.db2.gz XYJWLNLXRRLHSO-LSDHHAIUSA-N 2 1 308.466 3.042 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426174026 433431211 /nfs/dbraw/zinc/43/12/11/433431211.db2.gz XYJWLNLXRRLHSO-LSDHHAIUSA-N 2 1 308.466 3.042 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cnn(C(C)C)c32)[C@@H](C)C1 ZINC000375182462 433381666 /nfs/dbraw/zinc/38/16/66/433381666.db2.gz KJNLAVIMUUEJMG-BHYGNILZSA-N 2 1 304.482 3.161 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cnn(C(C)C)c32)[C@@H](C)C1 ZINC000375182462 433381676 /nfs/dbraw/zinc/38/16/76/433381676.db2.gz KJNLAVIMUUEJMG-BHYGNILZSA-N 2 1 304.482 3.161 20 0 DGADMP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029548 433398115 /nfs/dbraw/zinc/39/81/15/433398115.db2.gz VESYYXUIATWFSY-DLBZAZTESA-N 2 1 324.509 3.162 20 0 DGADMP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029548 433398127 /nfs/dbraw/zinc/39/81/27/433398127.db2.gz VESYYXUIATWFSY-DLBZAZTESA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414134287 433416341 /nfs/dbraw/zinc/41/63/41/433416341.db2.gz CGOLAVNDCBTZQQ-IJXRJRJASA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414134287 433416348 /nfs/dbraw/zinc/41/63/48/433416348.db2.gz CGOLAVNDCBTZQQ-IJXRJRJASA-N 2 1 316.489 3.443 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000361879915 433433718 /nfs/dbraw/zinc/43/37/18/433433718.db2.gz JKAQHWMIRUXFCW-WIYYLYMNSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000361879915 433433729 /nfs/dbraw/zinc/43/37/29/433433729.db2.gz JKAQHWMIRUXFCW-WIYYLYMNSA-N 2 1 324.468 3.283 20 0 DGADMP CCc1nocc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000339208379 433437307 /nfs/dbraw/zinc/43/73/07/433437307.db2.gz WIZXHDQFBXPTSL-UHFFFAOYSA-N 2 1 301.434 3.367 20 0 DGADMP CCc1nocc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000339208379 433437318 /nfs/dbraw/zinc/43/73/18/433437318.db2.gz WIZXHDQFBXPTSL-UHFFFAOYSA-N 2 1 301.434 3.367 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414169624 433438622 /nfs/dbraw/zinc/43/86/22/433438622.db2.gz BDVRLPMEKXANDY-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414177913 433440136 /nfs/dbraw/zinc/44/01/36/433440136.db2.gz JHVAZDKHYUHJFN-OLZOCXBDSA-N 2 1 311.857 3.126 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000414177112 433442612 /nfs/dbraw/zinc/44/26/12/433442612.db2.gz JPQYOWZCECHPMI-LSDHHAIUSA-N 2 1 307.457 3.274 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000414183922 433446135 /nfs/dbraw/zinc/44/61/35/433446135.db2.gz OBERXYXAMMGFOP-GGPKGHCWSA-N 2 1 316.489 3.476 20 0 DGADMP CCn1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)cn1 ZINC000361922449 433452896 /nfs/dbraw/zinc/45/28/96/433452896.db2.gz IVTOOOODIDEAND-SOLBZPMBSA-N 2 1 306.498 3.454 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414195912 433454846 /nfs/dbraw/zinc/45/48/46/433454846.db2.gz JMHBKZIUBRCGIS-FRYIKTPZSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000281988404 433457617 /nfs/dbraw/zinc/45/76/17/433457617.db2.gz IDZKBJTVEHQSOA-UHFFFAOYSA-N 2 1 324.472 3.109 20 0 DGADMP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000414240311 433478645 /nfs/dbraw/zinc/47/86/45/433478645.db2.gz ZSYYKBILFVJZEQ-UZLBHIALSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1CC(CC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@H](C)C1 ZINC000420330131 290341349 /nfs/dbraw/zinc/34/13/49/290341349.db2.gz PLIDTFUYKVLLME-NUJGCVRESA-N 2 1 308.510 3.136 20 0 DGADMP C[NH+](C)C1(CNc2cc[nH+]c3ccc(Cl)cc23)CCOCC1 ZINC000301278941 433484652 /nfs/dbraw/zinc/48/46/52/433484652.db2.gz LTYICWRMDFIHKD-UHFFFAOYSA-N 2 1 319.836 3.411 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(C)C ZINC000414305871 433528579 /nfs/dbraw/zinc/52/85/79/433528579.db2.gz XHAZBUFSCWOYBX-LMCOJAPRSA-N 2 1 318.505 3.282 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375695125 433530608 /nfs/dbraw/zinc/53/06/08/433530608.db2.gz ZNJALKRMTYHCHY-LMDPOFIKSA-N 2 1 302.462 3.054 20 0 DGADMP CCOCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301393285 433533124 /nfs/dbraw/zinc/53/31/24/433533124.db2.gz CHGXUBWZTKZIEZ-UHFFFAOYSA-N 2 1 319.836 3.047 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000375704458 433536333 /nfs/dbraw/zinc/53/63/33/433536333.db2.gz CCHSRKWJPQIECV-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1 ZINC000414254115 433488280 /nfs/dbraw/zinc/48/82/80/433488280.db2.gz BPNUKHJXKCGCNZ-UHFFFAOYSA-N 2 1 324.472 3.307 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000375584833 433498012 /nfs/dbraw/zinc/49/80/12/433498012.db2.gz RYEJLHVPUHKCDM-CABCVRRESA-N 2 1 309.457 3.242 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000375584833 433498018 /nfs/dbraw/zinc/49/80/18/433498018.db2.gz RYEJLHVPUHKCDM-CABCVRRESA-N 2 1 309.457 3.242 20 0 DGADMP Cc1nn(C(C)C)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375618672 433509312 /nfs/dbraw/zinc/50/93/12/433509312.db2.gz AFVVQDQIRPERRA-VQIMIIECSA-N 2 1 316.493 3.221 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCc4ccccn4)C3)C2)cc1 ZINC000375746231 433552320 /nfs/dbraw/zinc/55/23/20/433552320.db2.gz XZCFKJONDZWPHI-NRFANRHFSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCc4ccccn4)C3)C2)cc1 ZINC000375746231 433552335 /nfs/dbraw/zinc/55/23/35/433552335.db2.gz XZCFKJONDZWPHI-NRFANRHFSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCc4ccccn4)C3)C2)cc1 ZINC000375746231 433552349 /nfs/dbraw/zinc/55/23/49/433552349.db2.gz XZCFKJONDZWPHI-NRFANRHFSA-N 2 1 321.468 3.222 20 0 DGADMP CC[N@@H+](CCCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000339411599 433562062 /nfs/dbraw/zinc/56/20/62/433562062.db2.gz YKADMSTVEKYODW-SFHVURJKSA-N 2 1 302.462 3.018 20 0 DGADMP Cc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(-c2cnn(C)c2)c1 ZINC000339408697 433562469 /nfs/dbraw/zinc/56/24/69/433562469.db2.gz ITHGSNOMWCCCNT-LJQANCHMSA-N 2 1 314.477 3.201 20 0 DGADMP CCOc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362185490 433572272 /nfs/dbraw/zinc/57/22/72/433572272.db2.gz LIQXLRRQSGKOIY-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362185490 433572286 /nfs/dbraw/zinc/57/22/86/433572286.db2.gz LIQXLRRQSGKOIY-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000362185490 433572299 /nfs/dbraw/zinc/57/22/99/433572299.db2.gz LIQXLRRQSGKOIY-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000362185490 433572308 /nfs/dbraw/zinc/57/23/08/433572308.db2.gz LIQXLRRQSGKOIY-IRXDYDNUSA-N 2 1 320.477 3.269 20 0 DGADMP COc1cc(Cl)ccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429331 433576882 /nfs/dbraw/zinc/57/68/82/433576882.db2.gz SNNNCIWFKRSQNA-KRWDZBQOSA-N 2 1 308.853 3.266 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430643 433579280 /nfs/dbraw/zinc/57/92/80/433579280.db2.gz HSMCHGCUAJKDEY-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430643 433579291 /nfs/dbraw/zinc/57/92/91/433579291.db2.gz HSMCHGCUAJKDEY-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430643 433579295 /nfs/dbraw/zinc/57/92/95/433579295.db2.gz HSMCHGCUAJKDEY-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000339430643 433579305 /nfs/dbraw/zinc/57/93/05/433579305.db2.gz HSMCHGCUAJKDEY-KRWDZBQOSA-N 2 1 308.466 3.336 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339436821 433587548 /nfs/dbraw/zinc/58/75/48/433587548.db2.gz HVEKKEFVWJNMSZ-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339436821 433587561 /nfs/dbraw/zinc/58/75/61/433587561.db2.gz HVEKKEFVWJNMSZ-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339436821 433587572 /nfs/dbraw/zinc/58/75/72/433587572.db2.gz HVEKKEFVWJNMSZ-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000375840404 433587656 /nfs/dbraw/zinc/58/76/56/433587656.db2.gz PFSMMGZXBIXQSR-JYJNAYRXSA-N 2 1 310.388 3.250 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434989 433587808 /nfs/dbraw/zinc/58/78/08/433587808.db2.gz QMJQRMFTMTWNDQ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434989 433587817 /nfs/dbraw/zinc/58/78/17/433587817.db2.gz QMJQRMFTMTWNDQ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434989 433587828 /nfs/dbraw/zinc/58/78/28/433587828.db2.gz QMJQRMFTMTWNDQ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434989 433587837 /nfs/dbraw/zinc/58/78/37/433587837.db2.gz QMJQRMFTMTWNDQ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351511794 433543186 /nfs/dbraw/zinc/54/31/86/433543186.db2.gz DFVMBWYWBCRGEL-LESCRADOSA-N 2 1 320.477 3.070 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C)[nH+]1 ZINC000301522966 433595400 /nfs/dbraw/zinc/59/54/00/433595400.db2.gz GNJPDGIHFNRCKC-KRWDZBQOSA-N 2 1 302.466 3.186 20 0 DGADMP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C[C@H]1CCC[NH+](C)C1 ZINC000351601521 433606175 /nfs/dbraw/zinc/60/61/75/433606175.db2.gz HXBDGICRGOCIQG-HNNXBMFYSA-N 2 1 302.462 3.174 20 0 DGADMP C[N@H+](Cc1cccc2c1OC(C)(C)C2)C[C@H]1CCC[NH+](C)C1 ZINC000351601521 433606182 /nfs/dbraw/zinc/60/61/82/433606182.db2.gz HXBDGICRGOCIQG-HNNXBMFYSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1cccc2c1OC(C)(C)C2)C[C@H]1CCC[N@H+](C)C1 ZINC000351601521 433606192 /nfs/dbraw/zinc/60/61/92/433606192.db2.gz HXBDGICRGOCIQG-HNNXBMFYSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1cccc2c1OC(C)(C)C2)C[C@H]1CCC[N@@H+](C)C1 ZINC000351601521 433606200 /nfs/dbraw/zinc/60/62/00/433606200.db2.gz HXBDGICRGOCIQG-HNNXBMFYSA-N 2 1 302.462 3.174 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccoc2C)CC1 ZINC000414419047 433606256 /nfs/dbraw/zinc/60/62/56/433606256.db2.gz ZIUKPKGFYMEWNE-UHFFFAOYSA-N 2 1 308.466 3.158 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356526999 433606748 /nfs/dbraw/zinc/60/67/48/433606748.db2.gz NMUBFLXUTFZPNU-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356526999 433606754 /nfs/dbraw/zinc/60/67/54/433606754.db2.gz NMUBFLXUTFZPNU-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356526999 433606762 /nfs/dbraw/zinc/60/67/62/433606762.db2.gz NMUBFLXUTFZPNU-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356526999 433606771 /nfs/dbraw/zinc/60/67/71/433606771.db2.gz NMUBFLXUTFZPNU-NHCUHLMSSA-N 2 1 321.468 3.344 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000293038494 433609199 /nfs/dbraw/zinc/60/91/99/433609199.db2.gz SBYHTBJNCPUDFL-QZTJIDSGSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038494 433609208 /nfs/dbraw/zinc/60/92/08/433609208.db2.gz SBYHTBJNCPUDFL-QZTJIDSGSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038494 433609220 /nfs/dbraw/zinc/60/92/20/433609220.db2.gz SBYHTBJNCPUDFL-QZTJIDSGSA-N 2 1 322.880 3.445 20 0 DGADMP C[NH+](C)Cc1cnc(CNc2ccc(C[NH+](C)C)cc2F)s1 ZINC000414493595 433661890 /nfs/dbraw/zinc/66/18/90/433661890.db2.gz CHLYMFGMHVQEGO-UHFFFAOYSA-N 2 1 322.453 3.018 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000376102639 433666395 /nfs/dbraw/zinc/66/63/95/433666395.db2.gz IZUDGFXXVCUGCR-DFQSSKMNSA-N 2 1 316.489 3.412 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000376105187 433666975 /nfs/dbraw/zinc/66/69/75/433666975.db2.gz WQOTZLWYAFLFDI-AXDKOMKPSA-N 2 1 316.489 3.410 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000376105187 433666985 /nfs/dbraw/zinc/66/69/85/433666985.db2.gz WQOTZLWYAFLFDI-AXDKOMKPSA-N 2 1 316.489 3.410 20 0 DGADMP CCc1nc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC000342414608 433675052 /nfs/dbraw/zinc/67/50/52/433675052.db2.gz MOGLDIYAVNMNQR-INIZCTEOSA-N 2 1 324.472 3.985 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1)C1CC1 ZINC000427285548 433683722 /nfs/dbraw/zinc/68/37/22/433683722.db2.gz XFDCVEQSUQXSSV-UHFFFAOYSA-N 2 1 323.440 3.382 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367243803 293043501 /nfs/dbraw/zinc/04/35/01/293043501.db2.gz MPOMGNVPRPQOCW-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP CCOCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362404670 433698295 /nfs/dbraw/zinc/69/82/95/433698295.db2.gz UGXUSITYBPNGGW-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H](CC1CCCCC1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326829 293116514 /nfs/dbraw/zinc/11/65/14/293116514.db2.gz HZWSCCHJKIUMJW-QUCCMNQESA-N 2 1 321.553 3.305 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414743073 293189274 /nfs/dbraw/zinc/18/92/74/293189274.db2.gz HBFOPXJPKCZWDY-CKEIUWERSA-N 2 1 310.869 3.347 20 0 DGADMP COc1cc(C)ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000449050263 433708997 /nfs/dbraw/zinc/70/89/97/433708997.db2.gz UCAZJLPQEWGDHA-APWZRJJASA-N 2 1 314.473 3.452 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372978055 293246648 /nfs/dbraw/zinc/24/66/48/293246648.db2.gz IKPJHKGCDCALFS-MRXNPFEDSA-N 2 1 306.498 3.171 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372978055 293246649 /nfs/dbraw/zinc/24/66/49/293246649.db2.gz IKPJHKGCDCALFS-MRXNPFEDSA-N 2 1 306.498 3.171 20 0 DGADMP CC(C)[NH+]1CCC(NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373905486 293330296 /nfs/dbraw/zinc/33/02/96/293330296.db2.gz QATWDUVHGBKJAL-IBGZPJMESA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCCOCc3ccccc3)C2)CC1 ZINC000374074016 293349794 /nfs/dbraw/zinc/34/97/94/293349794.db2.gz HAVRBPZPACHSBH-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000283396341 433716821 /nfs/dbraw/zinc/71/68/21/433716821.db2.gz UVUMPZRMLVZHLC-IBGZPJMESA-N 2 1 317.521 3.138 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1F ZINC000356846807 433730620 /nfs/dbraw/zinc/73/06/20/433730620.db2.gz IZTJFOAITYZCDR-XJKSGUPXSA-N 2 1 317.408 3.225 20 0 DGADMP COCC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000449235463 433735504 /nfs/dbraw/zinc/73/55/04/433735504.db2.gz URTPOQBGKDIDPX-PBHCIXSXSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356858263 433736568 /nfs/dbraw/zinc/73/65/68/433736568.db2.gz XHZBYJWRJQJZDW-PIKOESSRSA-N 2 1 316.489 3.302 20 0 DGADMP CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859393 433737809 /nfs/dbraw/zinc/73/78/09/433737809.db2.gz BSQNIEWKLGDMMJ-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859393 433737813 /nfs/dbraw/zinc/73/78/13/433737813.db2.gz BSQNIEWKLGDMMJ-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859393 433737817 /nfs/dbraw/zinc/73/78/17/433737817.db2.gz BSQNIEWKLGDMMJ-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC)c(OC)c1 ZINC000356859393 433737820 /nfs/dbraw/zinc/73/78/20/433737820.db2.gz BSQNIEWKLGDMMJ-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CC(C)C[C@H](N)c1noc([C@H](C)N(C)Cc2ccccc2)n1 ZINC000414610297 433742349 /nfs/dbraw/zinc/74/23/49/433742349.db2.gz ARQDGFVLWDMAFB-ZFWWWQNUSA-N 2 1 302.422 3.309 20 0 DGADMP CC(C)C[C@H](N)c1noc([C@@H](C)N(C)Cc2ccccc2)n1 ZINC000414610293 433742639 /nfs/dbraw/zinc/74/26/39/433742639.db2.gz ARQDGFVLWDMAFB-HIFRSBDPSA-N 2 1 302.422 3.309 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)C1CCCCC1 ZINC000421819141 433744679 /nfs/dbraw/zinc/74/46/79/433744679.db2.gz FJDHKYDNEBAUBI-ICSRJNTNSA-N 2 1 315.505 3.429 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)c(F)c1 ZINC000421823251 433749842 /nfs/dbraw/zinc/74/98/42/433749842.db2.gz CMUWOGOKNYPPCN-KRWDZBQOSA-N 2 1 305.397 3.326 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421825621 433750087 /nfs/dbraw/zinc/75/00/87/433750087.db2.gz ONMUHGBRNCNSCQ-FUHWJXTLSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421825621 433750107 /nfs/dbraw/zinc/75/01/07/433750107.db2.gz ONMUHGBRNCNSCQ-FUHWJXTLSA-N 2 1 315.505 3.429 20 0 DGADMP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421824795 433750282 /nfs/dbraw/zinc/75/02/82/433750282.db2.gz KJSZDUIQGVTTGC-KRWDZBQOSA-N 2 1 303.381 3.080 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421839385 433761918 /nfs/dbraw/zinc/76/19/18/433761918.db2.gz XGFPASOYPGQORE-HKUYNNGSSA-N 2 1 315.505 3.287 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421839386 433762740 /nfs/dbraw/zinc/76/27/40/433762740.db2.gz XGFPASOYPGQORE-IEBWSBKVSA-N 2 1 315.505 3.287 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000449084074 433724908 /nfs/dbraw/zinc/72/49/08/433724908.db2.gz WJKITFRAWCZRIY-FYOYPEGLSA-N 2 1 306.494 3.473 20 0 DGADMP C1CCC(OC2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000449084074 433724918 /nfs/dbraw/zinc/72/49/18/433724918.db2.gz WJKITFRAWCZRIY-FYOYPEGLSA-N 2 1 306.494 3.473 20 0 DGADMP CCOc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000293535699 433773010 /nfs/dbraw/zinc/77/30/10/433773010.db2.gz CHUOLTXBPWICCM-SFHVURJKSA-N 2 1 306.425 3.142 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000414664042 433778877 /nfs/dbraw/zinc/77/88/77/433778877.db2.gz SUQYYOXSDNYEHR-OFQRWUPVSA-N 2 1 308.441 3.072 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414663890 433779010 /nfs/dbraw/zinc/77/90/10/433779010.db2.gz SEPJFGHVOOHIOK-JHJVBQTASA-N 2 1 300.368 3.478 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000414676973 433781866 /nfs/dbraw/zinc/78/18/66/433781866.db2.gz NYTZKBYMTHFTDQ-SOLBZPMBSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414697275 433795184 /nfs/dbraw/zinc/79/51/84/433795184.db2.gz IKAMIJMGLRNSGS-JTDSTZFVSA-N 2 1 301.478 3.278 20 0 DGADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414768919 433824880 /nfs/dbraw/zinc/82/48/80/433824880.db2.gz MRHFZCCGPMNUGO-GASCZTMLSA-N 2 1 315.848 3.320 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC[NH2+]1 ZINC000414715424 433803429 /nfs/dbraw/zinc/80/34/29/433803429.db2.gz YRFBJNAUZNIMCL-ILXRZTDVSA-N 2 1 308.853 3.181 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC=C(C)CC3)CC2)nc(C)[nH+]1 ZINC000283976183 433810552 /nfs/dbraw/zinc/81/05/52/433810552.db2.gz GTBQGHSNGZHZRQ-MRXNPFEDSA-N 2 1 300.450 3.151 20 0 DGADMP C[N@@H+](CCC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000414738614 433811846 /nfs/dbraw/zinc/81/18/46/433811846.db2.gz DWUGXDHKZFCULS-GFCCVEGCSA-N 2 1 315.280 3.267 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000414730023 433813336 /nfs/dbraw/zinc/81/33/36/433813336.db2.gz FXAWSBGLBUELLZ-WOZUAGRISA-N 2 1 306.453 3.464 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293655527 433814393 /nfs/dbraw/zinc/81/43/93/433814393.db2.gz LPQPHCSGULAYHB-FUHWJXTLSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744619 433816350 /nfs/dbraw/zinc/81/63/50/433816350.db2.gz OPQOHWPHJTYNFE-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414744619 433816360 /nfs/dbraw/zinc/81/63/60/433816360.db2.gz OPQOHWPHJTYNFE-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc(C)c1OC(F)F ZINC000414748429 433817173 /nfs/dbraw/zinc/81/71/73/433817173.db2.gz INIBYDDDMYBHLS-OAHLLOKOSA-N 2 1 312.404 3.479 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414747517 433817802 /nfs/dbraw/zinc/81/78/02/433817802.db2.gz UPKCFNISSPATPM-INMHGKMJSA-N 2 1 318.436 3.109 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC000414759718 433821198 /nfs/dbraw/zinc/82/11/98/433821198.db2.gz WURKGOHTPFFXAC-OCCSQVGLSA-N 2 1 316.367 3.405 20 0 DGADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414839065 433873129 /nfs/dbraw/zinc/87/31/29/433873129.db2.gz IRSGAOKYTBFEOQ-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP COc1cc(C)c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414839489 433873171 /nfs/dbraw/zinc/87/31/71/433873171.db2.gz LHYALWLVQFPQGJ-INIZCTEOSA-N 2 1 306.450 3.009 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@@H+]1C ZINC000344626710 433874184 /nfs/dbraw/zinc/87/41/84/433874184.db2.gz KSNXNIFWOUNWOU-RYKRPPSOSA-N 2 1 302.462 3.491 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@H+]1C ZINC000344626710 433874191 /nfs/dbraw/zinc/87/41/91/433874191.db2.gz KSNXNIFWOUNWOU-RYKRPPSOSA-N 2 1 302.462 3.491 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414776325 433829200 /nfs/dbraw/zinc/82/92/00/433829200.db2.gz HAAPVLUGWBYTNF-ROUUACIJSA-N 2 1 324.472 3.207 20 0 DGADMP Fc1ccc2oc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414782443 433829357 /nfs/dbraw/zinc/82/93/57/433829357.db2.gz OOWQBDGOFSXOJO-KBPBESRZSA-N 2 1 302.393 3.393 20 0 DGADMP CCOc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCC(C)C ZINC000414776177 433831091 /nfs/dbraw/zinc/83/10/91/433831091.db2.gz MVPLSMYIJGTZOM-UHFFFAOYSA-N 2 1 306.450 3.042 20 0 DGADMP CCOc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCC(C)C ZINC000414776177 433831100 /nfs/dbraw/zinc/83/11/00/433831100.db2.gz MVPLSMYIJGTZOM-UHFFFAOYSA-N 2 1 306.450 3.042 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1SC ZINC000414786832 433833613 /nfs/dbraw/zinc/83/36/13/433833613.db2.gz UYVZRQONVZSUHN-HZPDHXFCSA-N 2 1 320.502 3.239 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC12CCOCC2 ZINC000414788957 433834186 /nfs/dbraw/zinc/83/41/86/433834186.db2.gz XNNIXSPSSYXCAT-HNNXBMFYSA-N 2 1 316.470 3.089 20 0 DGADMP c1ccc(CSCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414789200 433836026 /nfs/dbraw/zinc/83/60/26/433836026.db2.gz XYNPCXHCXAFRKI-QZTJIDSGSA-N 2 1 304.503 3.241 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000357038891 433840466 /nfs/dbraw/zinc/84/04/66/433840466.db2.gz AEPBFERKDZDDGX-ZWKOTPCHSA-N 2 1 323.440 3.224 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000357038891 433840479 /nfs/dbraw/zinc/84/04/79/433840479.db2.gz AEPBFERKDZDDGX-ZWKOTPCHSA-N 2 1 323.440 3.224 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789991 433841019 /nfs/dbraw/zinc/84/10/19/433841019.db2.gz ZDUVSQDETBOPFM-RTBURBONSA-N 2 1 314.473 3.297 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344106439 433847502 /nfs/dbraw/zinc/84/75/02/433847502.db2.gz JYFOFAOSQICDOU-RCCFBDPRSA-N 2 1 308.510 3.436 20 0 DGADMP CCn1nc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c2ccccc21 ZINC000351997581 433847787 /nfs/dbraw/zinc/84/77/87/433847787.db2.gz VBRRTPSWKDSFLU-INIZCTEOSA-N 2 1 314.477 3.362 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000414808501 433850972 /nfs/dbraw/zinc/85/09/72/433850972.db2.gz KTWDNNZYMVHXGB-UHFFFAOYSA-N 2 1 312.479 3.033 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414810869 433852048 /nfs/dbraw/zinc/85/20/48/433852048.db2.gz OWWQBYZPZAEVLO-GBESFXJTSA-N 2 1 315.505 3.004 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000414813123 433852541 /nfs/dbraw/zinc/85/25/41/433852541.db2.gz SJQUHTDNVOESJH-UHFFFAOYSA-N 2 1 313.445 3.364 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414810668 433854031 /nfs/dbraw/zinc/85/40/31/433854031.db2.gz VPKFYSDTKBWUFT-AAEUAGOBSA-N 2 1 307.488 3.479 20 0 DGADMP c1c[nH]c([C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc2)n1 ZINC000293756637 433854829 /nfs/dbraw/zinc/85/48/29/433854829.db2.gz QVZCMIXNQMIVMV-GOSISDBHSA-N 2 1 312.461 3.355 20 0 DGADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000344299258 433856096 /nfs/dbraw/zinc/85/60/96/433856096.db2.gz FAKWKDQUJOYZIG-KRWDZBQOSA-N 2 1 315.417 3.082 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414818561 433856653 /nfs/dbraw/zinc/85/66/53/433856653.db2.gz WCKFMUQYPCOBIL-SWLSCSKDSA-N 2 1 311.857 3.164 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000293763459 433857615 /nfs/dbraw/zinc/85/76/15/433857615.db2.gz SGFBVUCTUIQXMZ-NWDGAFQWSA-N 2 1 316.392 3.145 20 0 DGADMP Fc1ccccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000414818186 433860243 /nfs/dbraw/zinc/86/02/43/433860243.db2.gz UZPRFHLXICTJCX-PBWFPOADSA-N 2 1 300.377 3.458 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cn1 ZINC000293775083 433863463 /nfs/dbraw/zinc/86/34/63/433863463.db2.gz APSHAPIWFMDRDU-AWEZNQCLSA-N 2 1 322.412 3.002 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435438133 433871561 /nfs/dbraw/zinc/87/15/61/433871561.db2.gz NXEDUAQWBOWTEZ-MRXNPFEDSA-N 2 1 303.837 3.462 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345189256 433900176 /nfs/dbraw/zinc/90/01/76/433900176.db2.gz QWFHCEGRPUWRDS-UHFFFAOYSA-N 2 1 324.472 3.347 20 0 DGADMP Cc1cc(Br)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000414897845 433904078 /nfs/dbraw/zinc/90/40/78/433904078.db2.gz AAVIJVYXVUYDBY-CYBMUJFWSA-N 2 1 317.296 3.298 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCC[NH2+]C1 ZINC000414899223 433904219 /nfs/dbraw/zinc/90/42/19/433904219.db2.gz HDSWFRGEHIIHRG-CQSZACIVSA-N 2 1 304.331 3.324 20 0 DGADMP C[C@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCC[NH2+]C1 ZINC000414899220 433904869 /nfs/dbraw/zinc/90/48/69/433904869.db2.gz HDSWFRGEHIIHRG-AWEZNQCLSA-N 2 1 304.331 3.324 20 0 DGADMP C[C@]1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000414899073 433904992 /nfs/dbraw/zinc/90/49/92/433904992.db2.gz GUAWDJJTBVDCQD-AWEZNQCLSA-N 2 1 304.331 3.324 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362930115 433914142 /nfs/dbraw/zinc/91/41/42/433914142.db2.gz KDKLWNXGTQPMBW-IBGZPJMESA-N 2 1 314.473 3.066 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000303099621 433919114 /nfs/dbraw/zinc/91/91/14/433919114.db2.gz IQJNNFVMBIWLAZ-MOPGFXCFSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414929810 433920096 /nfs/dbraw/zinc/92/00/96/433920096.db2.gz PBJJAYFULMWABH-DOTOQJQBSA-N 2 1 317.477 3.080 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000422561875 433920718 /nfs/dbraw/zinc/92/07/18/433920718.db2.gz NWPKLWVTPOSDQW-NQBHXWOUSA-N 2 1 316.367 3.232 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000422561875 433920725 /nfs/dbraw/zinc/92/07/25/433920725.db2.gz NWPKLWVTPOSDQW-NQBHXWOUSA-N 2 1 316.367 3.232 20 0 DGADMP COCc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000303148863 433922536 /nfs/dbraw/zinc/92/25/36/433922536.db2.gz RKGZICGSFXXWSL-UHFFFAOYSA-N 2 1 312.457 3.445 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)CC[NH2+]1 ZINC000414941003 433923934 /nfs/dbraw/zinc/92/39/34/433923934.db2.gz CHRBCRJLFGQQTP-JGVFFNPUSA-N 2 1 323.687 3.394 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(OCCC)c1 ZINC000414940601 433924929 /nfs/dbraw/zinc/92/49/29/433924929.db2.gz BVZJXFJHQBRUOL-WBVHZDCISA-N 2 1 320.477 3.494 20 0 DGADMP c1cc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000436278399 433925433 /nfs/dbraw/zinc/92/54/33/433925433.db2.gz DXTBJMCSWMOVIP-UHFFFAOYSA-N 2 1 304.463 3.104 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000436294267 433929240 /nfs/dbraw/zinc/92/92/40/433929240.db2.gz FYUDQLVQLOQQCG-IAGOWNOFSA-N 2 1 305.466 3.080 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[NH2+]1 ZINC000414942416 433929783 /nfs/dbraw/zinc/92/97/83/433929783.db2.gz DJILQDJQSVPCRU-VQIMIIECSA-N 2 1 310.441 3.496 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCCC(C)C ZINC000414957278 433933651 /nfs/dbraw/zinc/93/36/51/433933651.db2.gz VZWSGHZJZJSDNV-RDJZCZTQSA-N 2 1 320.477 3.350 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414852712 433882873 /nfs/dbraw/zinc/88/28/73/433882873.db2.gz RIBGAGRMSWMYFO-INIZCTEOSA-N 2 1 306.450 3.091 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414852482 433884117 /nfs/dbraw/zinc/88/41/17/433884117.db2.gz KAINGALEKOJDRI-GHMZBOCLSA-N 2 1 315.230 3.066 20 0 DGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000414851523 433884695 /nfs/dbraw/zinc/88/46/95/433884695.db2.gz PBLHRSOUQQKUDV-MRXNPFEDSA-N 2 1 306.450 3.091 20 0 DGADMP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414855304 433886884 /nfs/dbraw/zinc/88/68/84/433886884.db2.gz WRQXGQFHQFTJLC-SFHVURJKSA-N 2 1 323.912 3.267 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414857378 433887178 /nfs/dbraw/zinc/88/71/78/433887178.db2.gz PIJOQTGPYPNCLN-UKRRQHHQSA-N 2 1 318.852 3.003 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(C(=O)OC)cc2)C1 ZINC000293842815 433892072 /nfs/dbraw/zinc/89/20/72/433892072.db2.gz SYRBFWPCWWQFEP-YJBOKZPZSA-N 2 1 318.461 3.246 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718517 433944566 /nfs/dbraw/zinc/94/45/66/433944566.db2.gz PVVZNYPHGJGYDI-AZUAARDMSA-N 2 1 317.521 3.191 20 0 DGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718520 433945342 /nfs/dbraw/zinc/94/53/42/433945342.db2.gz PVVZNYPHGJGYDI-QUCCMNQESA-N 2 1 317.521 3.191 20 0 DGADMP COCCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377768042 433992302 /nfs/dbraw/zinc/99/23/02/433992302.db2.gz JOYQTIWNEXDPHF-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377768042 433992316 /nfs/dbraw/zinc/99/23/16/433992316.db2.gz JOYQTIWNEXDPHF-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+](CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000303549637 433948396 /nfs/dbraw/zinc/94/83/96/433948396.db2.gz DVFXPPALGADMIJ-VQTJNVASSA-N 2 1 309.457 3.243 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1OC ZINC000422725629 433949775 /nfs/dbraw/zinc/94/97/75/433949775.db2.gz YGIALBROWQQRRA-GVDBMIGSSA-N 2 1 318.461 3.104 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340175150 433956054 /nfs/dbraw/zinc/95/60/54/433956054.db2.gz JNVAUTZQYAZOJG-QRFRQXIXSA-N 2 1 324.472 3.223 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340175150 433956062 /nfs/dbraw/zinc/95/60/62/433956062.db2.gz JNVAUTZQYAZOJG-QRFRQXIXSA-N 2 1 324.472 3.223 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422732703 433956724 /nfs/dbraw/zinc/95/67/24/433956724.db2.gz QESBJVPFLPIQFN-FCGDIQPGSA-N 2 1 307.526 3.151 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414985694 433957884 /nfs/dbraw/zinc/95/78/84/433957884.db2.gz WQGNMGVNRMOBLJ-GOSISDBHSA-N 2 1 320.440 3.366 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCc4cccnc4)C3)C2)cc1 ZINC000285489395 433966059 /nfs/dbraw/zinc/96/60/59/433966059.db2.gz INZXMOHXZFYZBZ-NRFANRHFSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCc4cccnc4)C3)C2)cc1 ZINC000285489395 433966069 /nfs/dbraw/zinc/96/60/69/433966069.db2.gz INZXMOHXZFYZBZ-NRFANRHFSA-N 2 1 321.468 3.222 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCc4cccnc4)C3)C2)cc1 ZINC000285489395 433966080 /nfs/dbraw/zinc/96/60/80/433966080.db2.gz INZXMOHXZFYZBZ-NRFANRHFSA-N 2 1 321.468 3.222 20 0 DGADMP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422746321 433972061 /nfs/dbraw/zinc/97/20/61/433972061.db2.gz NSKHNOKKFAOZAR-WFASDCNBSA-N 2 1 323.278 3.211 20 0 DGADMP C[C@@H](c1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422749333 433973458 /nfs/dbraw/zinc/97/34/58/433973458.db2.gz YQFXJCLJOLVYOZ-LATSOQNDSA-N 2 1 313.489 3.085 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3CC(C(C)(C)C)C3)CC2)nc(C)[nH+]1 ZINC000436470390 433973481 /nfs/dbraw/zinc/97/34/81/433973481.db2.gz KNHUIBMJBAEZPT-UHFFFAOYSA-N 2 1 316.493 3.477 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422748171 433974110 /nfs/dbraw/zinc/97/41/10/433974110.db2.gz SIDSLUBCSRHHHH-LRYGQEGESA-N 3 1 315.505 3.319 20 0 DGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415112144 433976440 /nfs/dbraw/zinc/97/64/40/433976440.db2.gz RKYZVLNXFSUIHB-RHSMWYFYSA-N 2 1 315.461 3.045 20 0 DGADMP Cc1nccn1CCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377732797 433977809 /nfs/dbraw/zinc/97/78/09/433977809.db2.gz PGAKWFXXIMKMMQ-IBGZPJMESA-N 2 1 311.429 3.051 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377732797 433977815 /nfs/dbraw/zinc/97/78/15/433977815.db2.gz PGAKWFXXIMKMMQ-IBGZPJMESA-N 2 1 311.429 3.051 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377732797 433977823 /nfs/dbraw/zinc/97/78/23/433977823.db2.gz PGAKWFXXIMKMMQ-IBGZPJMESA-N 2 1 311.429 3.051 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422759674 433978210 /nfs/dbraw/zinc/97/82/10/433978210.db2.gz FYDYTDNBFBKMFA-RLLQIKCJSA-N 2 1 315.505 3.334 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)C[C@H]1c1ccccc1 ZINC000340199871 433978947 /nfs/dbraw/zinc/97/89/47/433978947.db2.gz AWXWGHRIEZODNC-MJGOQNOKSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)C[C@H]1c1ccccc1 ZINC000340199871 433978951 /nfs/dbraw/zinc/97/89/51/433978951.db2.gz AWXWGHRIEZODNC-MJGOQNOKSA-N 2 1 302.462 3.371 20 0 DGADMP OC1CC[NH+](CCC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352224172 433988572 /nfs/dbraw/zinc/98/85/72/433988572.db2.gz ZLBHUISLZYHPEB-UHFFFAOYSA-N 2 1 322.880 3.022 20 0 DGADMP COCCCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377768040 433989901 /nfs/dbraw/zinc/98/99/01/433989901.db2.gz JOYQTIWNEXDPHF-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377768040 433989912 /nfs/dbraw/zinc/98/99/12/433989912.db2.gz JOYQTIWNEXDPHF-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377768044 433990255 /nfs/dbraw/zinc/99/02/55/433990255.db2.gz JOYQTIWNEXDPHF-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377768044 433990262 /nfs/dbraw/zinc/99/02/62/433990262.db2.gz JOYQTIWNEXDPHF-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C[C@@H]1c1ccccc1 ZINC000340216917 433992090 /nfs/dbraw/zinc/99/20/90/433992090.db2.gz FQMNNONQZSSBKD-QZTJIDSGSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C[C@@H]1c1ccccc1 ZINC000340216917 433992095 /nfs/dbraw/zinc/99/20/95/433992095.db2.gz FQMNNONQZSSBKD-QZTJIDSGSA-N 2 1 302.462 3.107 20 0 DGADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn2c1 ZINC000422707779 433940781 /nfs/dbraw/zinc/94/07/81/433940781.db2.gz AXIPGGZOEUKUHR-FGTMMUONSA-N 2 1 312.461 3.043 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422790100 434003550 /nfs/dbraw/zinc/00/35/50/434003550.db2.gz USLPJGSLYOBKAG-YCPHGPKFSA-N 2 1 307.869 3.039 20 0 DGADMP O[C@H](CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000285593083 434003959 /nfs/dbraw/zinc/00/39/59/434003959.db2.gz KWZDIMORLHTVDI-DFQSSKMNSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@H](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000285593083 434003973 /nfs/dbraw/zinc/00/39/73/434003973.db2.gz KWZDIMORLHTVDI-DFQSSKMNSA-N 2 1 314.473 3.059 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422791679 434004475 /nfs/dbraw/zinc/00/44/75/434004475.db2.gz CWERROXZHIWCFD-HAGHYFMRSA-N 2 1 319.537 3.151 20 0 DGADMP CN(Cc1ncc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285584769 434005665 /nfs/dbraw/zinc/00/56/65/434005665.db2.gz UHEJCWQWVYNKMT-SJPCQFCGSA-N 2 1 311.429 3.399 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000304368323 434007509 /nfs/dbraw/zinc/00/75/09/434007509.db2.gz ZKGNEUDUXKQLBC-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccc(Cl)cc1 ZINC000422795863 434009744 /nfs/dbraw/zinc/00/97/44/434009744.db2.gz IECMOQGMDYBQQH-VXGBXAGGSA-N 2 1 305.809 3.266 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340254488 434014322 /nfs/dbraw/zinc/01/43/22/434014322.db2.gz ONEPLSCBNGDMKQ-JCHJZTRSSA-N 2 1 304.478 3.209 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340254488 434014335 /nfs/dbraw/zinc/01/43/35/434014335.db2.gz ONEPLSCBNGDMKQ-JCHJZTRSSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340250533 434015345 /nfs/dbraw/zinc/01/53/45/434015345.db2.gz GZJLMXNAPRXOIZ-RBUKOAKNSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340250533 434015351 /nfs/dbraw/zinc/01/53/51/434015351.db2.gz GZJLMXNAPRXOIZ-RBUKOAKNSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000340254662 434017378 /nfs/dbraw/zinc/01/73/78/434017378.db2.gz CLACUFFKIBPFSX-ZWKOTPCHSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000340254662 434017384 /nfs/dbraw/zinc/01/73/84/434017384.db2.gz CLACUFFKIBPFSX-ZWKOTPCHSA-N 2 1 304.478 3.210 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422810304 434019989 /nfs/dbraw/zinc/01/99/89/434019989.db2.gz RIWFEAJUHLOJND-HSALFYBXSA-N 2 1 315.505 3.149 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811908 434022548 /nfs/dbraw/zinc/02/25/48/434022548.db2.gz VGJLGLBFFYPSNP-RTBURBONSA-N 3 1 301.478 3.032 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422807913 434022820 /nfs/dbraw/zinc/02/28/20/434022820.db2.gz KJPXLVXDQFUGEA-MFKMUULPSA-N 2 1 318.795 3.419 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422817393 434025289 /nfs/dbraw/zinc/02/52/89/434025289.db2.gz HMXUBKUZROGPOY-GUDVDZBRSA-N 3 1 307.526 3.007 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)cc1 ZINC000422823014 434029816 /nfs/dbraw/zinc/02/98/16/434029816.db2.gz CHFGTPRROXEXRT-IHPCNDPISA-N 2 1 315.505 3.110 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000340280966 434036581 /nfs/dbraw/zinc/03/65/81/434036581.db2.gz VUSAPMRYSRMPKK-MOPGFXCFSA-N 2 1 307.526 3.200 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)c2ccccc21 ZINC000422827478 434036791 /nfs/dbraw/zinc/03/67/91/434036791.db2.gz NAAYVHHVYQJLLK-WOJBJXKFSA-N 2 1 318.424 3.166 20 0 DGADMP COC1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422837288 434040051 /nfs/dbraw/zinc/04/00/51/434040051.db2.gz LUQDKRUKMHTNAE-IOXAMRCBSA-N 2 1 302.462 3.275 20 0 DGADMP COC1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422837290 434040833 /nfs/dbraw/zinc/04/08/33/434040833.db2.gz LUQDKRUKMHTNAE-VWPHEMMRSA-N 2 1 302.462 3.275 20 0 DGADMP CC(C)CC[NH+]1CCC(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422838676 434043099 /nfs/dbraw/zinc/04/30/99/434043099.db2.gz OWBYQXBGNKBSSS-VQTJNVASSA-N 2 1 315.505 3.479 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422838676 434043109 /nfs/dbraw/zinc/04/31/09/434043109.db2.gz OWBYQXBGNKBSSS-VQTJNVASSA-N 2 1 315.505 3.479 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCC2 ZINC000422779088 433995081 /nfs/dbraw/zinc/99/50/81/433995081.db2.gz IMRHZIGFWLTZQB-AKHDSKFASA-N 2 1 314.473 3.417 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCOc2ccc(F)cc2)c2ccccc21 ZINC000422788585 433998939 /nfs/dbraw/zinc/99/89/39/433998939.db2.gz VOHKTVPJNTTYBL-ZWKOTPCHSA-N 2 1 300.377 3.329 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422784323 433999810 /nfs/dbraw/zinc/99/98/10/433999810.db2.gz NZHHTCPFCZCTRS-WTGUMLROSA-N 2 1 315.505 3.108 20 0 DGADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327455 434001066 /nfs/dbraw/zinc/00/10/66/434001066.db2.gz TVDJQALTPPWLKC-MAUKXSAKSA-N 2 1 322.880 3.181 20 0 DGADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327455 434001075 /nfs/dbraw/zinc/00/10/75/434001075.db2.gz TVDJQALTPPWLKC-MAUKXSAKSA-N 2 1 322.880 3.181 20 0 DGADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327453 434001200 /nfs/dbraw/zinc/00/12/00/434001200.db2.gz TVDJQALTPPWLKC-CRAIPNDOSA-N 2 1 322.880 3.181 20 0 DGADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000304327453 434001208 /nfs/dbraw/zinc/00/12/08/434001208.db2.gz TVDJQALTPPWLKC-CRAIPNDOSA-N 2 1 322.880 3.181 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000422861860 434062907 /nfs/dbraw/zinc/06/29/07/434062907.db2.gz NBCCWPHRCKJRCM-BHYGNILZSA-N 2 1 309.523 3.238 20 0 DGADMP CCCCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000414957595 293894103 /nfs/dbraw/zinc/89/41/03/293894103.db2.gz WCDBYLKYDJMOKC-ZBFHGGJFSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422860029 434063367 /nfs/dbraw/zinc/06/33/67/434063367.db2.gz KYIIZXZNYXFBAF-MBOZVWFJSA-N 2 1 315.505 3.149 20 0 DGADMP CCN(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000422870593 434065017 /nfs/dbraw/zinc/06/50/17/434065017.db2.gz YZZFSZAVPHKFCX-WFVVYAPDSA-N 2 1 307.507 3.004 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867928 434065887 /nfs/dbraw/zinc/06/58/87/434065887.db2.gz UEARNZUMRKQZPA-DYVFJYSZSA-N 2 1 318.490 3.289 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422870102 434068408 /nfs/dbraw/zinc/06/84/08/434068408.db2.gz YLMSAMRWRMWEIY-APWZRJJASA-N 3 1 303.494 3.005 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422870105 434068765 /nfs/dbraw/zinc/06/87/65/434068765.db2.gz YLMSAMRWRMWEIY-VQIMIIECSA-N 3 1 303.494 3.005 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422874078 434071395 /nfs/dbraw/zinc/07/13/95/434071395.db2.gz CDQUXWUWNSBJNC-IRXDYDNUSA-N 3 1 303.494 3.136 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCCOC1 ZINC000340351104 434079241 /nfs/dbraw/zinc/07/92/41/434079241.db2.gz NFPUXHBTBHBFPR-GDAAHCPNSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCCOC1 ZINC000340351104 434079248 /nfs/dbraw/zinc/07/92/48/434079248.db2.gz NFPUXHBTBHBFPR-GDAAHCPNSA-N 2 1 302.462 3.227 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000340350570 434079529 /nfs/dbraw/zinc/07/95/29/434079529.db2.gz OOZNJUBEELMYCQ-FHWLQOOXSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000340350570 434079537 /nfs/dbraw/zinc/07/95/37/434079537.db2.gz OOZNJUBEELMYCQ-FHWLQOOXSA-N 2 1 302.462 3.371 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340349688 434080370 /nfs/dbraw/zinc/08/03/70/434080370.db2.gz FEGVTEQJKXQWOT-OALUTQOASA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340349688 434080375 /nfs/dbraw/zinc/08/03/75/434080375.db2.gz FEGVTEQJKXQWOT-OALUTQOASA-N 3 1 315.505 3.143 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340361141 434087606 /nfs/dbraw/zinc/08/76/06/434087606.db2.gz NQGMJGPULWTMLX-PWRODBHTSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340361141 434087614 /nfs/dbraw/zinc/08/76/14/434087614.db2.gz NQGMJGPULWTMLX-PWRODBHTSA-N 2 1 324.468 3.015 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422895117 434094201 /nfs/dbraw/zinc/09/42/01/434094201.db2.gz DZDDPQIXSXPXFX-QGZVFWFLSA-N 3 1 303.494 3.067 20 0 DGADMP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000378139558 434094318 /nfs/dbraw/zinc/09/43/18/434094318.db2.gz LEMLPKDAXXQFHM-SXLOBPIMSA-N 2 1 319.537 3.079 20 0 DGADMP C[N@H+](C[C@H]1CCCC[C@@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685895 434094576 /nfs/dbraw/zinc/09/45/76/434094576.db2.gz ASMGAXHHQOWPIM-QUCCMNQESA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685895 434094584 /nfs/dbraw/zinc/09/45/84/434094584.db2.gz ASMGAXHHQOWPIM-QUCCMNQESA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309765622 434096127 /nfs/dbraw/zinc/09/61/27/434096127.db2.gz ZKESYGMVWALJEO-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309747827 434096761 /nfs/dbraw/zinc/09/67/61/434096761.db2.gz VAUHBYMRRZQDNE-KBAYOESNSA-N 2 1 304.503 3.240 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340380281 434097146 /nfs/dbraw/zinc/09/71/46/434097146.db2.gz KBOWPBMMAFKNCA-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340380281 434097157 /nfs/dbraw/zinc/09/71/57/434097157.db2.gz KBOWPBMMAFKNCA-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+](C[C@H]1CCCC[C@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685897 434097910 /nfs/dbraw/zinc/09/79/10/434097910.db2.gz ASMGAXHHQOWPIM-UYAOXDASSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685897 434097915 /nfs/dbraw/zinc/09/79/15/434097915.db2.gz ASMGAXHHQOWPIM-UYAOXDASSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309747826 434098757 /nfs/dbraw/zinc/09/87/57/434098757.db2.gz VAUHBYMRRZQDNE-BPQIPLTHSA-N 2 1 304.503 3.240 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309744329 434098902 /nfs/dbraw/zinc/09/89/02/434098902.db2.gz SXNZPXNEYGNYNT-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000378162407 434099263 /nfs/dbraw/zinc/09/92/63/434099263.db2.gz RWDHCLFLQDCPSI-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363616962 434099618 /nfs/dbraw/zinc/09/96/18/434099618.db2.gz ZQSNSCJOVBSCAM-QZTJIDSGSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363616962 434099626 /nfs/dbraw/zinc/09/96/26/434099626.db2.gz ZQSNSCJOVBSCAM-QZTJIDSGSA-N 2 1 310.445 3.102 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340307452 434050632 /nfs/dbraw/zinc/05/06/32/434050632.db2.gz BKOCNIGPYRWDEC-KSZLIROESA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340307452 434050641 /nfs/dbraw/zinc/05/06/41/434050641.db2.gz BKOCNIGPYRWDEC-KSZLIROESA-N 2 1 304.478 3.209 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)n[nH]1 ZINC000340307360 434051941 /nfs/dbraw/zinc/05/19/41/434051941.db2.gz WHWOSAUDASFVNZ-YJLNNSPDSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[nH]n1 ZINC000340307360 434051949 /nfs/dbraw/zinc/05/19/49/434051949.db2.gz WHWOSAUDASFVNZ-YJLNNSPDSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[nH]n1 ZINC000340307360 434051961 /nfs/dbraw/zinc/05/19/61/434051961.db2.gz WHWOSAUDASFVNZ-YJLNNSPDSA-N 2 1 312.461 3.074 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422849777 434052018 /nfs/dbraw/zinc/05/20/18/434052018.db2.gz COPFZIOTJDTMDZ-DAYGRLMNSA-N 3 1 312.461 3.219 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422907701 434099734 /nfs/dbraw/zinc/09/97/34/434099734.db2.gz CBUMYWCMIXCIFG-MOPGFXCFSA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422907701 434099740 /nfs/dbraw/zinc/09/97/40/434099740.db2.gz CBUMYWCMIXCIFG-MOPGFXCFSA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422907701 434099747 /nfs/dbraw/zinc/09/97/47/434099747.db2.gz CBUMYWCMIXCIFG-MOPGFXCFSA-N 3 1 303.494 3.276 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340311013 434056869 /nfs/dbraw/zinc/05/68/69/434056869.db2.gz ZDQQNKJYMVUVDO-ZWKOTPCHSA-N 2 1 304.478 3.210 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340311013 434056874 /nfs/dbraw/zinc/05/68/74/434056874.db2.gz ZDQQNKJYMVUVDO-ZWKOTPCHSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)(C)OCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309825320 434102840 /nfs/dbraw/zinc/10/28/40/434102840.db2.gz BBCNCVMERIAXDU-CEXWTWQISA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422907732 434103809 /nfs/dbraw/zinc/10/38/09/434103809.db2.gz CGLZPVUNXPLBNH-OALUTQOASA-N 2 1 303.494 3.147 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CC(F)(F)C3)C2)CC1 ZINC000450324820 434104835 /nfs/dbraw/zinc/10/48/35/434104835.db2.gz RFAHZLONZJJDFZ-OAHLLOKOSA-N 2 1 300.437 3.476 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340397833 434108025 /nfs/dbraw/zinc/10/80/25/434108025.db2.gz WIGKMRXYRXBMRH-NEWSRXKRSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397833 434108040 /nfs/dbraw/zinc/10/80/40/434108040.db2.gz WIGKMRXYRXBMRH-NEWSRXKRSA-N 2 1 303.494 3.140 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422914052 434109950 /nfs/dbraw/zinc/10/99/50/434109950.db2.gz ZYNSSJUTEADBCD-YDZRNGNQSA-N 2 1 321.553 3.397 20 0 DGADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1cccc(Cl)c1 ZINC000422921297 434111484 /nfs/dbraw/zinc/11/14/84/434111484.db2.gz PMQIEBNOWLGTQR-BZNIZROVSA-N 2 1 305.809 3.186 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422928050 434114237 /nfs/dbraw/zinc/11/42/37/434114237.db2.gz IQDLCSNOIQAZOL-XUJVJEKNSA-N 2 1 311.267 3.110 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000422929277 434119054 /nfs/dbraw/zinc/11/90/54/434119054.db2.gz PBPISSCOTWQKSS-KBAYOESNSA-N 2 1 306.425 3.235 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000340393834 434101316 /nfs/dbraw/zinc/10/13/16/434101316.db2.gz HGZSLVHAJHSBST-ULQDDVLXSA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000340393834 434101323 /nfs/dbraw/zinc/10/13/23/434101323.db2.gz HGZSLVHAJHSBST-ULQDDVLXSA-N 2 1 312.498 3.207 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340392775 434101635 /nfs/dbraw/zinc/10/16/35/434101635.db2.gz ZYTHOPIVNDMGQL-IPMKNSEASA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340392775 434101647 /nfs/dbraw/zinc/10/16/47/434101647.db2.gz ZYTHOPIVNDMGQL-IPMKNSEASA-N 2 1 302.462 3.227 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000363611472 434101841 /nfs/dbraw/zinc/10/18/41/434101841.db2.gz IRYUXUXCXZYGGL-APWZRJJASA-N 2 1 312.461 3.007 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499228715 294081698 /nfs/dbraw/zinc/08/16/98/294081698.db2.gz MMAODDAJBWXSMU-YRPNKDGESA-N 2 1 316.489 3.179 20 0 DGADMP CCOc1ccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422945770 434127173 /nfs/dbraw/zinc/12/71/73/434127173.db2.gz NVGACFWHQKSAJX-YWZLYKJASA-N 2 1 310.441 3.372 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@@H](C)C1 ZINC000503891887 294203249 /nfs/dbraw/zinc/20/32/49/294203249.db2.gz KIOWWCFIOARPIA-OWIUFQIYSA-N 2 1 320.452 3.400 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422944395 434128003 /nfs/dbraw/zinc/12/80/03/434128003.db2.gz MFYPPYWMUAMHBO-WBAXXEDZSA-N 2 1 317.477 3.421 20 0 DGADMP Fc1cccc(OCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422951414 434133357 /nfs/dbraw/zinc/13/33/57/434133357.db2.gz YLRMBCRFRXIINJ-PKOBYXMFSA-N 2 1 314.404 3.287 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000353443729 434136575 /nfs/dbraw/zinc/13/65/75/434136575.db2.gz STEWHPIVTLIKSK-XHSDSOJGSA-N 2 1 318.461 3.290 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000340452294 434137607 /nfs/dbraw/zinc/13/76/07/434137607.db2.gz ZHQSIDLSTTVLCB-OAHLLOKOSA-N 2 1 311.429 3.102 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000286019627 434139835 /nfs/dbraw/zinc/13/98/35/434139835.db2.gz JQBJOPZBQASUSN-RYUDHWBXSA-N 2 1 321.446 3.027 20 0 DGADMP C[C@@H](CCNc1[nH+]cnc2[nH]ccc21)[N@H+](C)Cc1ccccc1 ZINC000353448616 434142102 /nfs/dbraw/zinc/14/21/02/434142102.db2.gz KTVMTHINJFRSJU-AWEZNQCLSA-N 2 1 309.417 3.232 20 0 DGADMP C[C@@H](CCNc1[nH+]cnc2[nH]ccc21)[N@@H+](C)Cc1ccccc1 ZINC000353448616 434142111 /nfs/dbraw/zinc/14/21/11/434142111.db2.gz KTVMTHINJFRSJU-AWEZNQCLSA-N 2 1 309.417 3.232 20 0 DGADMP C[NH+](C)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000353454671 434144279 /nfs/dbraw/zinc/14/42/79/434144279.db2.gz LFSRXRJYFLEOLG-UHFFFAOYSA-N 3 1 315.505 3.113 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCCC[C@@H]3N)CC2)CC1 ZINC000422963243 434144519 /nfs/dbraw/zinc/14/45/19/434144519.db2.gz FIMXVSWYZXFPIE-WZOJCFFYSA-N 2 1 307.526 3.279 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC000314565942 434145488 /nfs/dbraw/zinc/14/54/88/434145488.db2.gz CAOGFXRYIOZUHJ-HZSPNIEDSA-N 2 1 310.404 3.052 20 0 DGADMP N[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000422999661 434156709 /nfs/dbraw/zinc/15/67/09/434156709.db2.gz YDDBOJQVMBHQLO-UXHICEINSA-N 2 1 322.456 3.032 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422996475 434157931 /nfs/dbraw/zinc/15/79/31/434157931.db2.gz MFXQMQQLTFENIY-IYWMVGAKSA-N 3 1 321.553 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422996475 434157937 /nfs/dbraw/zinc/15/79/37/434157937.db2.gz MFXQMQQLTFENIY-IYWMVGAKSA-N 2 1 321.553 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422996475 434157943 /nfs/dbraw/zinc/15/79/43/434157943.db2.gz MFXQMQQLTFENIY-IYWMVGAKSA-N 2 1 321.553 3.255 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423010210 434161116 /nfs/dbraw/zinc/16/11/16/434161116.db2.gz FWDGRXYVCUPWAB-WBVHZDCISA-N 2 1 317.477 3.413 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1Cl ZINC000423006467 434163824 /nfs/dbraw/zinc/16/38/24/434163824.db2.gz VILSLBPDIIUZAU-YOEHRIQHSA-N 2 1 318.848 3.267 20 0 DGADMP C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000423004443 434164443 /nfs/dbraw/zinc/16/44/43/434164443.db2.gz OZJAGDNCWVSOCW-GFCCVEGCSA-N 2 1 305.809 3.015 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423008886 434164874 /nfs/dbraw/zinc/16/48/74/434164874.db2.gz URHLWUCLSLOPED-CVEARBPZSA-N 3 1 315.461 3.127 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423008886 434164883 /nfs/dbraw/zinc/16/48/83/434164883.db2.gz URHLWUCLSLOPED-CVEARBPZSA-N 2 1 315.461 3.127 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[NH+](C2CCCC2)CC1 ZINC000450425965 434169607 /nfs/dbraw/zinc/16/96/07/434169607.db2.gz OSXBRDYEGKYLEE-LJQANCHMSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000450425965 434169616 /nfs/dbraw/zinc/16/96/16/434169616.db2.gz OSXBRDYEGKYLEE-LJQANCHMSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000450425965 434169626 /nfs/dbraw/zinc/16/96/26/434169626.db2.gz OSXBRDYEGKYLEE-LJQANCHMSA-N 2 1 307.526 3.200 20 0 DGADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423025361 434174265 /nfs/dbraw/zinc/17/42/65/434174265.db2.gz LLTNGYBHGGEGLA-GYVWXKFASA-N 2 1 306.837 3.426 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000423032923 434175672 /nfs/dbraw/zinc/17/56/72/434175672.db2.gz FUCLCGBRGGKRMI-KZNAEPCWSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340519907 434178839 /nfs/dbraw/zinc/17/88/39/434178839.db2.gz RRNIJYCHWAGKOA-VQHPVUNQSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340519907 434178849 /nfs/dbraw/zinc/17/88/49/434178849.db2.gz RRNIJYCHWAGKOA-VQHPVUNQSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423038906 434183657 /nfs/dbraw/zinc/18/36/57/434183657.db2.gz DMYFITZHWLDCFF-AILXTGBUSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423038906 434183668 /nfs/dbraw/zinc/18/36/68/434183668.db2.gz DMYFITZHWLDCFF-AILXTGBUSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423038909 434184191 /nfs/dbraw/zinc/18/41/91/434184191.db2.gz DMYFITZHWLDCFF-YMPIPDKKSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423038909 434184200 /nfs/dbraw/zinc/18/42/00/434184200.db2.gz DMYFITZHWLDCFF-YMPIPDKKSA-N 2 1 315.505 3.004 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(C)c1 ZINC000353512009 434188873 /nfs/dbraw/zinc/18/88/73/434188873.db2.gz CHOZWBPFMBVMEN-MOPGFXCFSA-N 2 1 304.478 3.129 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)CCO2 ZINC000423051606 434192752 /nfs/dbraw/zinc/19/27/52/434192752.db2.gz OUAOYBSCXXLPNZ-DAYGRLMNSA-N 2 1 318.461 3.419 20 0 DGADMP C[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353518083 434194341 /nfs/dbraw/zinc/19/43/41/434194341.db2.gz KTKGGKGRIMXINL-FRYIKTPZSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCO[C@@H]1C1CC1 ZINC000423055988 434194535 /nfs/dbraw/zinc/19/45/35/434194535.db2.gz XKZKJXVKOGLFTL-UAFMIMERSA-N 2 1 314.473 3.275 20 0 DGADMP CCSc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccn1 ZINC000423060025 434196465 /nfs/dbraw/zinc/19/64/65/434196465.db2.gz HDZGXWSRRGPTMP-RHSMWYFYSA-N 2 1 315.486 3.242 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423061907 434198638 /nfs/dbraw/zinc/19/86/38/434198638.db2.gz RWSWRZLLSOBADG-YYQUZTFQSA-N 2 1 304.409 3.160 20 0 DGADMP C[N@@H+](CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000317187152 434199110 /nfs/dbraw/zinc/19/91/10/434199110.db2.gz WREZIKUBNBKWKM-RBUKOAKNSA-N 2 1 301.478 3.375 20 0 DGADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000363992508 434199403 /nfs/dbraw/zinc/19/94/03/434199403.db2.gz AYMRFSAAZCFWIA-VQTJNVASSA-N 2 1 316.489 3.451 20 0 DGADMP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CCCC[N@H+]3C3CC3)CC[NH2+]2)cc1 ZINC000423080649 434206268 /nfs/dbraw/zinc/20/62/68/434206268.db2.gz ZRFCCPZIAQJIKH-IHPCNDPISA-N 2 1 313.489 3.086 20 0 DGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000353543141 434210082 /nfs/dbraw/zinc/21/00/82/434210082.db2.gz FRJQCWZHGKZEDS-MJGOQNOKSA-N 2 1 318.509 3.296 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000357851215 434212501 /nfs/dbraw/zinc/21/25/01/434212501.db2.gz LTFJKYSFUBFNTE-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000357851215 434212511 /nfs/dbraw/zinc/21/25/11/434212511.db2.gz LTFJKYSFUBFNTE-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353543267 434213332 /nfs/dbraw/zinc/21/33/32/434213332.db2.gz BBGKKHGCSQNYGL-IRXDYDNUSA-N 2 1 324.509 3.210 20 0 DGADMP COc1cccc2c(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccnc12 ZINC000286275390 434214582 /nfs/dbraw/zinc/21/45/82/434214582.db2.gz GMVDGCAWKYYEGK-YIONKMFJSA-N 2 1 311.429 3.305 20 0 DGADMP CSc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000295118936 434214788 /nfs/dbraw/zinc/21/47/88/434214788.db2.gz YHBUFWJTQFZNPK-HFTRVMKXSA-N 2 1 321.534 3.084 20 0 DGADMP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000295118948 434215186 /nfs/dbraw/zinc/21/51/86/434215186.db2.gz YHBUFWJTQFZNPK-LESCRADOSA-N 2 1 321.534 3.084 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499356 434167396 /nfs/dbraw/zinc/16/73/96/434167396.db2.gz NAZMDJJXIVZTQX-NVXWUHKLSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499356 434167407 /nfs/dbraw/zinc/16/74/07/434167407.db2.gz NAZMDJJXIVZTQX-NVXWUHKLSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1OCCc2sccc21 ZINC000423130122 434239794 /nfs/dbraw/zinc/23/97/94/434239794.db2.gz MKFIRLCIVSTSDD-MTYBJYJGSA-N 2 1 314.454 3.485 20 0 DGADMP CCSc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423133356 434240525 /nfs/dbraw/zinc/24/05/25/434240525.db2.gz QIYPPNMLARKZTG-KSZLIROESA-N 2 1 320.502 3.045 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138727 434242052 /nfs/dbraw/zinc/24/20/52/434242052.db2.gz JXGXKKRPWZOSEK-SCTDSRPQSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423138727 434242061 /nfs/dbraw/zinc/24/20/61/434242061.db2.gz JXGXKKRPWZOSEK-SCTDSRPQSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423138727 434242069 /nfs/dbraw/zinc/24/20/69/434242069.db2.gz JXGXKKRPWZOSEK-SCTDSRPQSA-N 3 1 303.494 3.004 20 0 DGADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000423144842 434243570 /nfs/dbraw/zinc/24/35/70/434243570.db2.gz ZPRYJZZIJQLRCW-AQNXPRMDSA-N 2 1 322.452 3.381 20 0 DGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423141813 434245195 /nfs/dbraw/zinc/24/51/95/434245195.db2.gz RWIFHQJSPSCLRX-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000286368288 434246120 /nfs/dbraw/zinc/24/61/20/434246120.db2.gz ZLTJYYUNXBWJKA-CVEARBPZSA-N 2 1 320.477 3.395 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148678 434248127 /nfs/dbraw/zinc/24/81/27/434248127.db2.gz GJTUCOJQDANDDV-IEBWSBKVSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148678 434248134 /nfs/dbraw/zinc/24/81/34/434248134.db2.gz GJTUCOJQDANDDV-IEBWSBKVSA-N 2 1 315.505 3.019 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000286368290 434248351 /nfs/dbraw/zinc/24/83/51/434248351.db2.gz ZLTJYYUNXBWJKA-HOTGVXAUSA-N 2 1 320.477 3.395 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423149474 434248780 /nfs/dbraw/zinc/24/87/80/434248780.db2.gz AWPOKLMXUUBVHZ-WMLDXEAASA-N 2 1 305.491 3.129 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378965834 434254159 /nfs/dbraw/zinc/25/41/59/434254159.db2.gz UKMBMVZMXJIXCT-SZMVWBNQSA-N 2 1 302.462 3.233 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379625342 434257626 /nfs/dbraw/zinc/25/76/26/434257626.db2.gz KUVYSIQGHMVOPO-QRQLOZEOSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379625342 434257632 /nfs/dbraw/zinc/25/76/32/434257632.db2.gz KUVYSIQGHMVOPO-QRQLOZEOSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000379656532 434259399 /nfs/dbraw/zinc/25/93/99/434259399.db2.gz PLHRYUAMSVDELP-XEYPJELSSA-N 2 1 315.505 3.160 20 0 DGADMP OCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000379779155 434263087 /nfs/dbraw/zinc/26/30/87/434263087.db2.gz WATZQBIMUUSPQV-OAQYLSRUSA-N 2 1 324.468 3.181 20 0 DGADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)OCCO2 ZINC000423182214 434268278 /nfs/dbraw/zinc/26/82/78/434268278.db2.gz QDNVDIPPDCINDU-HNNXBMFYSA-N 2 1 304.434 3.160 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423187893 434269731 /nfs/dbraw/zinc/26/97/31/434269731.db2.gz YKWQTAVDNJATFR-IEBWSBKVSA-N 2 1 315.505 3.148 20 0 DGADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1OC ZINC000423188580 434272720 /nfs/dbraw/zinc/27/27/20/434272720.db2.gz ODULXDZOJVPKOV-SFHVURJKSA-N 2 1 313.445 3.311 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423185355 434273497 /nfs/dbraw/zinc/27/34/97/434273497.db2.gz VIQKDXWJPKFJHX-MRXNPFEDSA-N 2 1 312.461 3.244 20 0 DGADMP C[C@](CO)(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423111571 434225124 /nfs/dbraw/zinc/22/51/24/434225124.db2.gz QPOWTFPVGQKAOB-PCCBWWKXSA-N 2 1 324.468 3.020 20 0 DGADMP CC[C@](C)(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000319401094 434226232 /nfs/dbraw/zinc/22/62/32/434226232.db2.gz FQIMYROWFYPKGH-NZSAHSFTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000319792390 434228060 /nfs/dbraw/zinc/22/80/60/434228060.db2.gz ZTWZJNLXFNLPKX-QYZOEREBSA-N 2 1 321.553 3.494 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423122186 434232555 /nfs/dbraw/zinc/23/25/55/434232555.db2.gz JNSRIKMABLJDAZ-WZGPROSRSA-N 2 1 324.472 3.444 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000319993734 434233622 /nfs/dbraw/zinc/23/36/22/434233622.db2.gz LBJBZBPVLWVBED-HNNXBMFYSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423122185 434234092 /nfs/dbraw/zinc/23/40/92/434234092.db2.gz JNSRIKMABLJDAZ-JCHJZTRSSA-N 2 1 324.472 3.444 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423200030 434279471 /nfs/dbraw/zinc/27/94/71/434279471.db2.gz LLVWFIBMLITHFQ-GDBMZVCRSA-N 2 1 324.440 3.034 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000328376799 434282995 /nfs/dbraw/zinc/28/29/95/434282995.db2.gz KTGXTDJRXGPPII-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000340674671 434287613 /nfs/dbraw/zinc/28/76/13/434287613.db2.gz LQUFRMLNMZALIK-OAHLLOKOSA-N 2 1 320.452 3.088 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348386089 434293943 /nfs/dbraw/zinc/29/39/43/434293943.db2.gz OKQWFLKVVKZLPA-RBUKOAKNSA-N 3 1 320.525 3.462 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000358030549 434295570 /nfs/dbraw/zinc/29/55/70/434295570.db2.gz ATIFMYSJOKXHNB-JXFKEZNVSA-N 2 1 315.505 3.099 20 0 DGADMP COc1ccc([C@H]([NH2+]CC[C@H](C)[NH3+])c2ccc(F)cc2)cc1 ZINC000423226668 434295707 /nfs/dbraw/zinc/29/57/07/434295707.db2.gz RRTRMHQMCGOAOC-SCLBCKFNSA-N 2 1 302.393 3.251 20 0 DGADMP CCCCOc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340684356 434296964 /nfs/dbraw/zinc/29/69/64/434296964.db2.gz XWBGFMAAVOWSFQ-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP C[NH+](C)Cc1cnc(CN2CC[C@@H](C(F)(F)F)C2(C)C)s1 ZINC000348402713 434302050 /nfs/dbraw/zinc/30/20/50/434302050.db2.gz FVAWVGQIHYXXRG-LLVKDONJSA-N 2 1 321.412 3.368 20 0 DGADMP Cc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1F ZINC000353650138 434304753 /nfs/dbraw/zinc/30/47/53/434304753.db2.gz YZDZUKTUVGYSJT-UHFFFAOYSA-N 2 1 301.409 3.322 20 0 DGADMP C[C@H](NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423235064 434305014 /nfs/dbraw/zinc/30/50/14/434305014.db2.gz GEPIVJNHXJYWBH-IOMROCGXSA-N 2 1 323.484 3.187 20 0 DGADMP Cc1ccc(F)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000353650149 434305320 /nfs/dbraw/zinc/30/53/20/434305320.db2.gz ZDPGROIUVHZGAU-UHFFFAOYSA-N 2 1 301.409 3.322 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000358066365 434310744 /nfs/dbraw/zinc/31/07/44/434310744.db2.gz UYGBFOYVTVEKCM-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415030 434311026 /nfs/dbraw/zinc/31/10/26/434311026.db2.gz XACNAWUGZHFPPS-APWZRJJASA-N 2 1 312.461 3.066 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415030 434311029 /nfs/dbraw/zinc/31/10/29/434311029.db2.gz XACNAWUGZHFPPS-APWZRJJASA-N 2 1 312.461 3.066 20 0 DGADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000423259877 434317533 /nfs/dbraw/zinc/31/75/33/434317533.db2.gz FVWZHGKLUCQQGR-YPMHNXCESA-N 2 1 316.392 3.321 20 0 DGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C)c1 ZINC000287274019 434320029 /nfs/dbraw/zinc/32/00/29/434320029.db2.gz CPFFPHNVGJFQST-GOSISDBHSA-N 2 1 303.494 3.062 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000423268237 434322590 /nfs/dbraw/zinc/32/25/90/434322590.db2.gz UNHOBZISOSQRPO-RYQLBKOJSA-N 2 1 324.509 3.386 20 0 DGADMP CC[C@@H](C)N(Cc1nc(C(C)(C)N)no1)Cc1ccccc1 ZINC000387397304 434322903 /nfs/dbraw/zinc/32/29/03/434322903.db2.gz QDTHZCZMTXFGEK-CYBMUJFWSA-N 2 1 302.422 3.064 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423272027 434326695 /nfs/dbraw/zinc/32/66/95/434326695.db2.gz HUYRWSKNXKUYDA-HZMBPMFUSA-N 2 1 302.340 3.016 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423271767 434327958 /nfs/dbraw/zinc/32/79/58/434327958.db2.gz JIGWXTCJKZXKRT-KGLIPLIRSA-N 2 1 302.340 3.145 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423268764 434328376 /nfs/dbraw/zinc/32/83/76/434328376.db2.gz GKBSSGGOSRUPSI-VHSXEESVSA-N 2 1 306.784 3.448 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423277814 434331808 /nfs/dbraw/zinc/33/18/08/434331808.db2.gz OYWDXGMOXYHWNQ-KSZLIROESA-N 2 1 306.494 3.236 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450724881 434366780 /nfs/dbraw/zinc/36/67/80/434366780.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724881 434366790 /nfs/dbraw/zinc/36/67/90/434366790.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724881 434366801 /nfs/dbraw/zinc/36/68/01/434366801.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724881 434366811 /nfs/dbraw/zinc/36/68/11/434366811.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724881 434366820 /nfs/dbraw/zinc/36/68/20/434366820.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 2 1 321.553 3.492 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000390672795 434366953 /nfs/dbraw/zinc/36/69/53/434366953.db2.gz SNHARZNEVMPFBK-OTWHNJEPSA-N 2 1 315.505 3.147 20 0 DGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000390672795 434366963 /nfs/dbraw/zinc/36/69/63/434366963.db2.gz SNHARZNEVMPFBK-OTWHNJEPSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)c2cccc(Br)c21 ZINC000423333555 434369098 /nfs/dbraw/zinc/36/90/98/434369098.db2.gz RWTNVWIWWXYCOG-MFKMUULPSA-N 2 1 309.251 3.468 20 0 DGADMP CCCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423337417 434369850 /nfs/dbraw/zinc/36/98/50/434369850.db2.gz VNSGBRCYEUXYNS-CQSZACIVSA-N 2 1 306.450 3.406 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000390886567 434373915 /nfs/dbraw/zinc/37/39/15/434373915.db2.gz YMEFUUAZRAYRPK-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000390886567 434373925 /nfs/dbraw/zinc/37/39/25/434373925.db2.gz YMEFUUAZRAYRPK-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390870973 434374868 /nfs/dbraw/zinc/37/48/68/434374868.db2.gz JNDHVRQRKHQSFH-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390870973 434374878 /nfs/dbraw/zinc/37/48/78/434374878.db2.gz JNDHVRQRKHQSFH-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000423359097 434379748 /nfs/dbraw/zinc/37/97/48/434379748.db2.gz KEDYHFADEUTSJL-CZUORRHYSA-N 2 1 316.424 3.113 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)ccc1F ZINC000423369170 434385052 /nfs/dbraw/zinc/38/50/52/434385052.db2.gz FPWZVBQIKZRASW-CKYFFXLPSA-N 2 1 315.230 3.379 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000423369189 434386717 /nfs/dbraw/zinc/38/67/17/434386717.db2.gz FQSKLJCYKYIFOZ-IJLUTSLNSA-N 2 1 302.340 3.376 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000423373761 434392053 /nfs/dbraw/zinc/39/20/53/434392053.db2.gz JLZFEPCCVDUYCS-CKYFFXLPSA-N 2 1 315.230 3.379 20 0 DGADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)C[NH3+])CCC3)cc1 ZINC000423381341 434390562 /nfs/dbraw/zinc/39/05/62/434390562.db2.gz ZJYMPNVCPZDKCD-FZMZJTMJSA-N 2 1 317.458 3.133 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000423373764 434390704 /nfs/dbraw/zinc/39/07/04/434390704.db2.gz JLZFEPCCVDUYCS-SCVCMEIPSA-N 2 1 315.230 3.379 20 0 DGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423282018 434341151 /nfs/dbraw/zinc/34/11/51/434341151.db2.gz VRFYRHKAVCESPA-NMLBUPMWSA-N 2 1 315.505 3.003 20 0 DGADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423288660 434343478 /nfs/dbraw/zinc/34/34/78/434343478.db2.gz UEFRWKOAFYZEQI-AEFFLSMTSA-N 2 1 303.494 3.004 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(F)cn1 ZINC000423295186 434344091 /nfs/dbraw/zinc/34/40/91/434344091.db2.gz WIWUGHQUZZNKTO-VXGBXAGGSA-N 2 1 303.381 3.100 20 0 DGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423287300 434345270 /nfs/dbraw/zinc/34/52/70/434345270.db2.gz LIOORBCNNKZUBT-LBPRGKRZSA-N 2 1 303.219 3.366 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423294827 434346538 /nfs/dbraw/zinc/34/65/38/434346538.db2.gz CVHUQEPMOPBUKX-QXAKKESOSA-N 2 1 303.494 3.004 20 0 DGADMP CCCC[C@@H](C[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423300217 434348821 /nfs/dbraw/zinc/34/88/21/434348821.db2.gz RFLUTDZOZSAZHG-LWYYNNOASA-N 2 1 315.505 3.289 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423302273 434349146 /nfs/dbraw/zinc/34/91/46/434349146.db2.gz VGHWCFSQVYCSJU-PBHICJAKSA-N 2 1 320.481 3.385 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000423303405 434350444 /nfs/dbraw/zinc/35/04/44/434350444.db2.gz XAZCCOCPAYKGRE-XJKSGUPXSA-N 2 1 308.466 3.050 20 0 DGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389783712 434351976 /nfs/dbraw/zinc/35/19/76/434351976.db2.gz FYTFKHZMQVACNA-AEGPPILISA-N 2 1 310.388 3.280 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417317668 434354353 /nfs/dbraw/zinc/35/43/53/434354353.db2.gz XEKWNVSNTAWWOV-VVLHAWIVSA-N 2 1 322.518 3.067 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)c(OCCC)c1 ZINC000423309397 434355161 /nfs/dbraw/zinc/35/51/61/434355161.db2.gz ZMEFFEJXTLQBMQ-AWEZNQCLSA-N 2 1 306.450 3.134 20 0 DGADMP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423319504 434357033 /nfs/dbraw/zinc/35/70/33/434357033.db2.gz FNWITRXTWUXLNR-VAMGGRTRSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCC1 ZINC000423322890 434357439 /nfs/dbraw/zinc/35/74/39/434357439.db2.gz JCSFTESJUCWMAX-GFCCVEGCSA-N 2 1 315.280 3.433 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@H]1C[C@H]1C ZINC000423323361 434360014 /nfs/dbraw/zinc/36/00/14/434360014.db2.gz HFXGAVQZTCHUNZ-RBPQIDMKSA-N 2 1 302.462 3.165 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584215 434360335 /nfs/dbraw/zinc/36/03/35/434360335.db2.gz QXDNPSYBBDUVHL-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584215 434360341 /nfs/dbraw/zinc/36/03/41/434360341.db2.gz QXDNPSYBBDUVHL-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423484845 434445013 /nfs/dbraw/zinc/44/50/13/434445013.db2.gz YYAZDWOARUVGJA-IRXDYDNUSA-N 2 1 303.837 3.346 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000423372700 434392544 /nfs/dbraw/zinc/39/25/44/434392544.db2.gz IKUSLUQAQZPSCN-DVOMOZLQSA-N 2 1 316.424 3.111 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000423373762 434392563 /nfs/dbraw/zinc/39/25/63/434392563.db2.gz JLZFEPCCVDUYCS-FOGDFJRCSA-N 2 1 315.230 3.379 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000393387840 434393935 /nfs/dbraw/zinc/39/39/35/434393935.db2.gz RBAMWLQSQLGPPL-OIISXLGYSA-N 2 1 308.416 3.486 20 0 DGADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423383499 434396182 /nfs/dbraw/zinc/39/61/82/434396182.db2.gz JLMBISQKYBETAC-VBSBHUPXSA-N 2 1 315.505 3.017 20 0 DGADMP C[N@H+](CCCC(=O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394167509 434402170 /nfs/dbraw/zinc/40/21/70/434402170.db2.gz ZEPQIFDLCMYHQQ-JWTNVVGKSA-N 2 1 318.436 3.346 20 0 DGADMP C[N@@H+](CCCC(=O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394167509 434402176 /nfs/dbraw/zinc/40/21/76/434402176.db2.gz ZEPQIFDLCMYHQQ-JWTNVVGKSA-N 2 1 318.436 3.346 20 0 DGADMP C[NH+](CCCC(=O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394167509 434402184 /nfs/dbraw/zinc/40/21/84/434402184.db2.gz ZEPQIFDLCMYHQQ-JWTNVVGKSA-N 2 1 318.436 3.346 20 0 DGADMP C[NH+](CCCC(=O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394167509 434402192 /nfs/dbraw/zinc/40/21/92/434402192.db2.gz ZEPQIFDLCMYHQQ-JWTNVVGKSA-N 2 1 318.436 3.346 20 0 DGADMP Clc1ccc2c(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c2c1 ZINC000450792482 434412594 /nfs/dbraw/zinc/41/25/94/434412594.db2.gz NSGDMTJGZNXCDA-OKILXGFUSA-N 2 1 317.820 3.163 20 0 DGADMP Clc1ccc2c(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c2c1 ZINC000450792482 434412604 /nfs/dbraw/zinc/41/26/04/434412604.db2.gz NSGDMTJGZNXCDA-OKILXGFUSA-N 2 1 317.820 3.163 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000395143507 434413926 /nfs/dbraw/zinc/41/39/26/434413926.db2.gz ARMOSPJPIBFDHD-HOCLYGCPSA-N 2 1 323.278 3.318 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000395143507 434413933 /nfs/dbraw/zinc/41/39/33/434413933.db2.gz ARMOSPJPIBFDHD-HOCLYGCPSA-N 2 1 323.278 3.318 20 0 DGADMP COC[C@]1(C[NH2+][C@@H](CSc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423417387 434414100 /nfs/dbraw/zinc/41/41/00/434414100.db2.gz SGLZEJWRGBCHLR-ZWKOTPCHSA-N 2 1 322.518 3.162 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000348632460 434421915 /nfs/dbraw/zinc/42/19/15/434421915.db2.gz HVLQWNVYQWHSGA-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000348632460 434421920 /nfs/dbraw/zinc/42/19/20/434421920.db2.gz HVLQWNVYQWHSGA-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000348632460 434421926 /nfs/dbraw/zinc/42/19/26/434421926.db2.gz HVLQWNVYQWHSGA-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423458393 434432083 /nfs/dbraw/zinc/43/20/83/434432083.db2.gz GUWYGYQLZAOMBR-IEBWSBKVSA-N 2 1 316.420 3.445 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423455430 434433171 /nfs/dbraw/zinc/43/31/71/434433171.db2.gz CMDUTVFMDFZBNQ-DLBZAZTESA-N 2 1 303.837 3.346 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423458395 434433386 /nfs/dbraw/zinc/43/33/86/434433386.db2.gz GUWYGYQLZAOMBR-MJGOQNOKSA-N 2 1 316.420 3.445 20 0 DGADMP C[C@@H]([NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000423473225 434440871 /nfs/dbraw/zinc/44/08/71/434440871.db2.gz QQBXXSOWISHXII-OGHNNQOOSA-N 2 1 303.837 3.344 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823617 434458909 /nfs/dbraw/zinc/45/89/09/434458909.db2.gz AQUYPLWJOMQXLD-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823617 434458919 /nfs/dbraw/zinc/45/89/19/434458919.db2.gz AQUYPLWJOMQXLD-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000353823617 434458928 /nfs/dbraw/zinc/45/89/28/434458928.db2.gz AQUYPLWJOMQXLD-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000353823617 434458934 /nfs/dbraw/zinc/45/89/34/434458934.db2.gz AQUYPLWJOMQXLD-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423500147 434459858 /nfs/dbraw/zinc/45/98/58/434459858.db2.gz CTOWJZUTQCTCDQ-ZBFHGGJFSA-N 2 1 308.491 3.216 20 0 DGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423507770 434466752 /nfs/dbraw/zinc/46/67/52/434466752.db2.gz QKMQHENQCDGZJW-PBHICJAKSA-N 2 1 320.477 3.050 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000348747206 434470695 /nfs/dbraw/zinc/47/06/95/434470695.db2.gz IPPOFDBHZLMDRJ-MOPGFXCFSA-N 2 1 320.477 3.050 20 0 DGADMP Brc1c[nH+]ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000295998000 434471049 /nfs/dbraw/zinc/47/10/49/434471049.db2.gz MNWVAPLJJFNPQO-UHFFFAOYSA-N 2 1 310.239 3.273 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000353850349 434478322 /nfs/dbraw/zinc/47/83/22/434478322.db2.gz WCTHWNDCRAILTG-GUYCJALGSA-N 2 1 304.413 3.349 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1(N2CCCCC2)CCCCC1 ZINC000401074442 434490808 /nfs/dbraw/zinc/49/08/08/434490808.db2.gz LKURAAPTMOVRGN-CEXWTWQISA-N 2 1 319.537 3.153 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000400681493 434491620 /nfs/dbraw/zinc/49/16/20/434491620.db2.gz WKYPPYPIIXQMLK-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000400681493 434491629 /nfs/dbraw/zinc/49/16/29/434491629.db2.gz WKYPPYPIIXQMLK-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)Sc2sccc21 ZINC000360054578 434496001 /nfs/dbraw/zinc/49/60/01/434496001.db2.gz NMSLRHSUHUXZMN-TZMCWYRMSA-N 2 1 314.520 3.231 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)Sc2sccc21 ZINC000360054578 434496009 /nfs/dbraw/zinc/49/60/09/434496009.db2.gz NMSLRHSUHUXZMN-TZMCWYRMSA-N 2 1 314.520 3.231 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000401698765 434498289 /nfs/dbraw/zinc/49/82/89/434498289.db2.gz MZHHFPXQVKJHJC-UHFFFAOYSA-N 2 1 319.452 3.406 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366767724 434505807 /nfs/dbraw/zinc/50/58/07/434505807.db2.gz YDFFDJSJNCQGFH-XMTFNYHQSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366767724 434505812 /nfs/dbraw/zinc/50/58/12/434505812.db2.gz YDFFDJSJNCQGFH-XMTFNYHQSA-N 2 1 318.509 3.156 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450860690 434450068 /nfs/dbraw/zinc/45/00/68/434450068.db2.gz XLMHBVSSKLXUHH-KRWDZBQOSA-N 2 1 306.425 3.205 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450860690 434450077 /nfs/dbraw/zinc/45/00/77/434450077.db2.gz XLMHBVSSKLXUHH-KRWDZBQOSA-N 2 1 306.425 3.205 20 0 DGADMP CCC(=O)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450872909 434455833 /nfs/dbraw/zinc/45/58/33/434455833.db2.gz CMMNGXXKOVOILX-UHFFFAOYSA-N 2 1 303.450 3.158 20 0 DGADMP CCn1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c2ccccc21 ZINC000404437240 434516666 /nfs/dbraw/zinc/51/66/66/434516666.db2.gz RWEKDNNNOMSSJX-YOEHRIQHSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c2ccccc21 ZINC000404437240 434516673 /nfs/dbraw/zinc/51/66/73/434516673.db2.gz RWEKDNNNOMSSJX-YOEHRIQHSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1cncc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000417840468 434533613 /nfs/dbraw/zinc/53/36/13/434533613.db2.gz OIIZVAYRMNRNLD-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438834929 434534851 /nfs/dbraw/zinc/53/48/51/434534851.db2.gz LGGGMFLQNRVNQU-MHJFOBGBSA-N 2 1 318.505 3.426 20 0 DGADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232439 434554347 /nfs/dbraw/zinc/55/43/47/434554347.db2.gz AJDDTUOJZUHBEQ-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232439 434554355 /nfs/dbraw/zinc/55/43/55/434554355.db2.gz AJDDTUOJZUHBEQ-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232439 434554359 /nfs/dbraw/zinc/55/43/59/434554359.db2.gz AJDDTUOJZUHBEQ-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000525697551 295026904 /nfs/dbraw/zinc/02/69/04/295026904.db2.gz ZNBIJCVXUMBGNT-MISYRCLQSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000525697551 295026906 /nfs/dbraw/zinc/02/69/06/295026906.db2.gz ZNBIJCVXUMBGNT-MISYRCLQSA-N 2 1 316.489 3.182 20 0 DGADMP CCc1ccccc1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000527074062 295075370 /nfs/dbraw/zinc/07/53/70/295075370.db2.gz MQJIKYPAMMBJMJ-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540979 295103271 /nfs/dbraw/zinc/10/32/71/295103271.db2.gz WPMYVICXZKCWNQ-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540979 295103272 /nfs/dbraw/zinc/10/32/72/295103272.db2.gz WPMYVICXZKCWNQ-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540979 295103274 /nfs/dbraw/zinc/10/32/74/295103274.db2.gz WPMYVICXZKCWNQ-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000527540979 295103275 /nfs/dbraw/zinc/10/32/75/295103275.db2.gz WPMYVICXZKCWNQ-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000459378094 434571768 /nfs/dbraw/zinc/57/17/68/434571768.db2.gz PYMZTGSPZUGNHM-JKSUJKDBSA-N 2 1 324.900 3.123 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1SC ZINC000459376950 434574207 /nfs/dbraw/zinc/57/42/07/434574207.db2.gz OOROHCZZDRSGSV-NXOAAHMSSA-N 2 1 314.539 3.140 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC12CC2 ZINC000527894379 295146452 /nfs/dbraw/zinc/14/64/52/295146452.db2.gz GZSJLCULISRJHP-QXAKKESOSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC12CC2 ZINC000527894379 295146454 /nfs/dbraw/zinc/14/64/54/295146454.db2.gz GZSJLCULISRJHP-QXAKKESOSA-N 2 1 314.473 3.056 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]2CNc2[nH+]ccc3[nH]ccc32)cc1 ZINC000528140461 295180116 /nfs/dbraw/zinc/18/01/16/295180116.db2.gz PXHPANRQSUOTEQ-OAHLLOKOSA-N 2 1 322.412 3.258 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528393148 295207393 /nfs/dbraw/zinc/20/73/93/295207393.db2.gz IUVKDKRLTWTLDP-PKOBYXMFSA-N 2 1 322.468 3.047 20 0 DGADMP Cc1cc(C)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000349039993 434588033 /nfs/dbraw/zinc/58/80/33/434588033.db2.gz ZZGCVXCZMCSUKS-UHFFFAOYSA-N 2 1 317.521 3.070 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354100848 434617624 /nfs/dbraw/zinc/61/76/24/434617624.db2.gz PWKVWCYQSJEULA-AQNXPRMDSA-N 2 1 316.489 3.223 20 0 DGADMP CC(C)n1cncc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000424160403 434641385 /nfs/dbraw/zinc/64/13/85/434641385.db2.gz UKURWGQUZGWWQN-UHFFFAOYSA-N 2 1 304.482 3.208 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360418082 434603420 /nfs/dbraw/zinc/60/34/20/434603420.db2.gz HJIUXQJGUIVWKQ-UHFFFAOYSA-N 2 1 311.429 3.103 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000354077682 434604544 /nfs/dbraw/zinc/60/45/44/434604544.db2.gz GSSQSFXJXLYWBY-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459743112 434691194 /nfs/dbraw/zinc/69/11/94/434691194.db2.gz WEXFEFGKNHSGQI-DLBZAZTESA-N 2 1 317.477 3.034 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)sc2C1 ZINC000424174552 434646304 /nfs/dbraw/zinc/64/63/04/434646304.db2.gz PHYUUWDRQLUEDH-GJZGRUSLSA-N 2 1 319.518 3.435 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)sc2C1 ZINC000424174552 434646309 /nfs/dbraw/zinc/64/63/09/434646309.db2.gz PHYUUWDRQLUEDH-GJZGRUSLSA-N 2 1 319.518 3.435 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220399 434673302 /nfs/dbraw/zinc/67/33/02/434673302.db2.gz FNOSMMADESGPSO-IAGOWNOFSA-N 2 1 317.477 3.047 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220401 434673563 /nfs/dbraw/zinc/67/35/63/434673563.db2.gz FNOSMMADESGPSO-SJORKVTESA-N 2 1 317.477 3.047 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000354215345 434674841 /nfs/dbraw/zinc/67/48/41/434674841.db2.gz IAQNKWFEAWSIAG-GJZGRUSLSA-N 2 1 324.896 3.268 20 0 DGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)cc1 ZINC000371353693 434675051 /nfs/dbraw/zinc/67/50/51/434675051.db2.gz JORCQVJJVXOTNH-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(C(C)(C)C)n1)CC[NH2+]CC2 ZINC000424285224 434677419 /nfs/dbraw/zinc/67/74/19/434677419.db2.gz FPUWWQOOSFBDGR-CYBMUJFWSA-N 2 1 307.507 3.405 20 0 DGADMP Cn1c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nc2cc(Cl)ccc21 ZINC000459723787 434677659 /nfs/dbraw/zinc/67/76/59/434677659.db2.gz CWJPGUNTFOAXNY-CYBMUJFWSA-N 2 1 320.868 3.048 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224358 434678027 /nfs/dbraw/zinc/67/80/27/434678027.db2.gz NQEIBRJFOBPJGE-WBVHZDCISA-N 2 1 317.477 3.047 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459733185 434685154 /nfs/dbraw/zinc/68/51/54/434685154.db2.gz GLQIRIVXURVZSO-DOTOQJQBSA-N 2 1 318.461 3.058 20 0 DGADMP Clc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)s1 ZINC000424300538 434686068 /nfs/dbraw/zinc/68/60/68/434686068.db2.gz WPLDUUPRHBYKCZ-UHFFFAOYSA-N 2 1 322.865 3.038 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459736539 434687974 /nfs/dbraw/zinc/68/79/74/434687974.db2.gz GLFLVHUTSRTYIA-LULLPPNCSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459736539 434687979 /nfs/dbraw/zinc/68/79/79/434687979.db2.gz GLFLVHUTSRTYIA-LULLPPNCSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000411220815 434746436 /nfs/dbraw/zinc/74/64/36/434746436.db2.gz TUBDKBLONURHPB-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3cncs3)C2)CC1 ZINC000411222973 434748317 /nfs/dbraw/zinc/74/83/17/434748317.db2.gz OMFHBKSZHDRHEX-MRXNPFEDSA-N 2 1 307.507 3.130 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3cncs3)C2)CC1 ZINC000411222973 434748321 /nfs/dbraw/zinc/74/83/21/434748321.db2.gz OMFHBKSZHDRHEX-MRXNPFEDSA-N 2 1 307.507 3.130 20 0 DGADMP C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411257595 434751281 /nfs/dbraw/zinc/75/12/81/434751281.db2.gz UPNJNZBENAQEBP-FXAWDEMLSA-N 2 1 316.489 3.408 20 0 DGADMP CCCOc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000371437654 434704964 /nfs/dbraw/zinc/70/49/64/434704964.db2.gz ICVQJZXLOPWBSB-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000371437654 434704971 /nfs/dbraw/zinc/70/49/71/434704971.db2.gz ICVQJZXLOPWBSB-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000371437654 434704976 /nfs/dbraw/zinc/70/49/76/434704976.db2.gz ICVQJZXLOPWBSB-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cccs1 ZINC000349404064 434706505 /nfs/dbraw/zinc/70/65/05/434706505.db2.gz CZOYRVYSGOFFBO-UHFFFAOYSA-N 2 1 320.506 3.312 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cccs1 ZINC000349404064 434706511 /nfs/dbraw/zinc/70/65/11/434706511.db2.gz CZOYRVYSGOFFBO-UHFFFAOYSA-N 2 1 320.506 3.312 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000459770996 434712320 /nfs/dbraw/zinc/71/23/20/434712320.db2.gz IAMAWTILBJSVNJ-MRXNPFEDSA-N 2 1 318.461 3.060 20 0 DGADMP C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371470599 434712513 /nfs/dbraw/zinc/71/25/13/434712513.db2.gz MVSXVEJBZGBIRH-LNNSKINVSA-N 2 1 314.473 3.273 20 0 DGADMP C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371470599 434712520 /nfs/dbraw/zinc/71/25/20/434712520.db2.gz MVSXVEJBZGBIRH-LNNSKINVSA-N 2 1 314.473 3.273 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3c(s1)C[C@@H](C)CC3)CC[NH2+]CC2 ZINC000424374623 434713446 /nfs/dbraw/zinc/71/34/46/434713446.db2.gz IKBSLSSQTMNCPV-KBPBESRZSA-N 2 1 319.518 3.232 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(C3CCC3)s1)CC[NH2+]CC2 ZINC000424375883 434714316 /nfs/dbraw/zinc/71/43/16/434714316.db2.gz KJZOYWLVJKJYMR-CYBMUJFWSA-N 2 1 305.491 3.375 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424376211 434715054 /nfs/dbraw/zinc/71/50/54/434715054.db2.gz KMAUAMWKYKSHGX-MRXNPFEDSA-N 2 1 324.472 3.349 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000411284039 434754692 /nfs/dbraw/zinc/75/46/92/434754692.db2.gz MKKIKRCSQVEDGZ-QGZVFWFLSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000411284039 434754698 /nfs/dbraw/zinc/75/46/98/434754698.db2.gz MKKIKRCSQVEDGZ-QGZVFWFLSA-N 2 1 309.457 3.461 20 0 DGADMP CO[C@H](CC(C)C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000419300174 434768237 /nfs/dbraw/zinc/76/82/37/434768237.db2.gz BPCWEAJNQTWTID-QGZVFWFLSA-N 2 1 306.450 3.294 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296510 434756798 /nfs/dbraw/zinc/75/67/98/434756798.db2.gz GRFFEJWTRVDZKU-SNRMKQJTSA-N 2 1 302.437 3.345 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296510 434756803 /nfs/dbraw/zinc/75/68/03/434756803.db2.gz GRFFEJWTRVDZKU-SNRMKQJTSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296510 434756809 /nfs/dbraw/zinc/75/68/09/434756809.db2.gz GRFFEJWTRVDZKU-SNRMKQJTSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296510 434756814 /nfs/dbraw/zinc/75/68/14/434756814.db2.gz GRFFEJWTRVDZKU-SNRMKQJTSA-N 2 1 302.437 3.345 20 0 DGADMP c1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411315934 434760582 /nfs/dbraw/zinc/76/05/82/434760582.db2.gz KBPDYSAJDFOTFZ-HXUWFJFHSA-N 2 1 314.473 3.285 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453061434 434789264 /nfs/dbraw/zinc/78/92/64/434789264.db2.gz BMROLSSFZVEAFT-MUGJNUQGSA-N 2 1 314.473 3.056 20 0 DGADMP CC[C@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411563401 434802042 /nfs/dbraw/zinc/80/20/42/434802042.db2.gz BKUVZSRYRIBYTF-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP OCC[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411571040 434804604 /nfs/dbraw/zinc/80/46/04/434804604.db2.gz OVZDSKRBJXRJKX-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000411519880 434794215 /nfs/dbraw/zinc/79/42/15/434794215.db2.gz UHAKRASJVFVNLD-CVEARBPZSA-N 2 1 317.477 3.141 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000411519880 434794217 /nfs/dbraw/zinc/79/42/17/434794217.db2.gz UHAKRASJVFVNLD-CVEARBPZSA-N 2 1 317.477 3.141 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453132521 434812049 /nfs/dbraw/zinc/81/20/49/434812049.db2.gz DRMPKNYICRWVKA-MTQWCTHYSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453137528 434813879 /nfs/dbraw/zinc/81/38/79/434813879.db2.gz GWHOSJMFNFIEHB-AQNXPRMDSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453137528 434813881 /nfs/dbraw/zinc/81/38/81/434813881.db2.gz GWHOSJMFNFIEHB-AQNXPRMDSA-N 2 1 324.472 3.251 20 0 DGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361184521 434824293 /nfs/dbraw/zinc/82/42/93/434824293.db2.gz RQJQOHVFLLJVNQ-LPHOPBHVSA-N 2 1 314.473 3.155 20 0 DGADMP OCCC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411871968 434838460 /nfs/dbraw/zinc/83/84/60/434838460.db2.gz LTYGAPLHTPKBGW-SFHVURJKSA-N 2 1 316.489 3.267 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000521281338 434878509 /nfs/dbraw/zinc/87/85/09/434878509.db2.gz NDVDALHSJDXCFQ-RTBURBONSA-N 2 1 318.509 3.294 20 0 DGADMP CCO[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335333 434892077 /nfs/dbraw/zinc/89/20/77/434892077.db2.gz OGJJEFUICZYYIT-ROUUACIJSA-N 2 1 319.493 3.412 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335333 434892081 /nfs/dbraw/zinc/89/20/81/434892081.db2.gz OGJJEFUICZYYIT-ROUUACIJSA-N 2 1 319.493 3.412 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000521942659 434900983 /nfs/dbraw/zinc/90/09/83/434900983.db2.gz WALVXMFACDXMDK-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000521942659 434900987 /nfs/dbraw/zinc/90/09/87/434900987.db2.gz WALVXMFACDXMDK-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000521942659 434900991 /nfs/dbraw/zinc/90/09/91/434900991.db2.gz WALVXMFACDXMDK-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncc(OC)c2C)CC1 ZINC000637906679 434905098 /nfs/dbraw/zinc/90/50/98/434905098.db2.gz XBCLOPMVXGOOMR-UHFFFAOYSA-N 2 1 319.493 3.343 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000462391872 434911338 /nfs/dbraw/zinc/91/13/38/434911338.db2.gz JIYFJGFPONWYQR-HXUWFJFHSA-N 2 1 310.441 3.294 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000554100114 434913295 /nfs/dbraw/zinc/91/32/95/434913295.db2.gz FMMIVKVJGFAVLB-ROUUACIJSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000554100114 434913298 /nfs/dbraw/zinc/91/32/98/434913298.db2.gz FMMIVKVJGFAVLB-ROUUACIJSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412085607 434864842 /nfs/dbraw/zinc/86/48/42/434864842.db2.gz OGZIMBHZXNPBOA-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP CC(C)[C@H](CO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000573073834 434872475 /nfs/dbraw/zinc/87/24/75/434872475.db2.gz IECWCYZGEWJWFP-HDYDNRTBSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000552893122 434873160 /nfs/dbraw/zinc/87/31/60/434873160.db2.gz MMDGNEQYNIGVGH-DOMZBBRYSA-N 2 1 316.367 3.014 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000573101967 434873999 /nfs/dbraw/zinc/87/39/99/434873999.db2.gz QFRVDENKNSITNW-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000573095175 434875200 /nfs/dbraw/zinc/87/52/00/434875200.db2.gz YZOBQYIMQIOJRP-HUUCEWRRSA-N 2 1 315.486 3.475 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)C2CCCCC2)CC1 ZINC000554837586 434948416 /nfs/dbraw/zinc/94/84/16/434948416.db2.gz QIJSMNSYNHUDOY-GOSISDBHSA-N 2 1 309.542 3.303 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCCNCc1ccc3c(n1)CCC3)C2 ZINC000574135861 434953685 /nfs/dbraw/zinc/95/36/85/434953685.db2.gz NZJUTHFYSMTWQA-UHFFFAOYSA-N 2 1 321.468 3.108 20 0 DGADMP c1ccc2c(c1)CCN(CCC[NH2+]Cc1ccc3c(n1)CCC3)C2 ZINC000574135861 434953692 /nfs/dbraw/zinc/95/36/92/434953692.db2.gz NZJUTHFYSMTWQA-UHFFFAOYSA-N 2 1 321.468 3.108 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC000638115466 434956189 /nfs/dbraw/zinc/95/61/89/434956189.db2.gz CRDMBPNBKUKLBY-YSVLISHTSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC000638115466 434956191 /nfs/dbraw/zinc/95/61/91/434956191.db2.gz CRDMBPNBKUKLBY-YSVLISHTSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000638115466 434956196 /nfs/dbraw/zinc/95/61/96/434956196.db2.gz CRDMBPNBKUKLBY-YSVLISHTSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000638115466 434956198 /nfs/dbraw/zinc/95/61/98/434956198.db2.gz CRDMBPNBKUKLBY-YSVLISHTSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cccc(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000638135633 434962570 /nfs/dbraw/zinc/96/25/70/434962570.db2.gz VDGBROIWHGXCDQ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000638135633 434962575 /nfs/dbraw/zinc/96/25/75/434962575.db2.gz VDGBROIWHGXCDQ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000638135633 434962579 /nfs/dbraw/zinc/96/25/79/434962579.db2.gz VDGBROIWHGXCDQ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cccc(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000638135633 434962582 /nfs/dbraw/zinc/96/25/82/434962582.db2.gz VDGBROIWHGXCDQ-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP Cn1c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135714 434963417 /nfs/dbraw/zinc/96/34/17/434963417.db2.gz WFRXYSFAHNYRLL-QGZVFWFLSA-N 2 1 311.473 3.342 20 0 DGADMP Cn1c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135714 434963421 /nfs/dbraw/zinc/96/34/21/434963421.db2.gz WFRXYSFAHNYRLL-QGZVFWFLSA-N 2 1 311.473 3.342 20 0 DGADMP Cn1c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135714 434963424 /nfs/dbraw/zinc/96/34/24/434963424.db2.gz WFRXYSFAHNYRLL-QGZVFWFLSA-N 2 1 311.473 3.342 20 0 DGADMP Cn1c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc2ccccc21 ZINC000638135714 434963427 /nfs/dbraw/zinc/96/34/27/434963427.db2.gz WFRXYSFAHNYRLL-QGZVFWFLSA-N 2 1 311.473 3.342 20 0 DGADMP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000555228729 434966756 /nfs/dbraw/zinc/96/67/56/434966756.db2.gz HMAUMPPKLDMYMK-XDNAFOTISA-N 2 1 316.514 3.381 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000555530910 434976597 /nfs/dbraw/zinc/97/65/97/434976597.db2.gz WLMCPLNXVDNZBF-KZNAEPCWSA-N 2 1 324.509 3.210 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000555377267 434972179 /nfs/dbraw/zinc/97/21/79/434972179.db2.gz KVNDHRRYZIRHFE-QUCCMNQESA-N 2 1 321.553 3.303 20 0 DGADMP c1cnc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2n1 ZINC000638181796 434972205 /nfs/dbraw/zinc/97/22/05/434972205.db2.gz ODERSGRAPLOLEM-OXJNMPFZSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2n1 ZINC000638181796 434972207 /nfs/dbraw/zinc/97/22/07/434972207.db2.gz ODERSGRAPLOLEM-OXJNMPFZSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2n1 ZINC000638181796 434972211 /nfs/dbraw/zinc/97/22/11/434972211.db2.gz ODERSGRAPLOLEM-OXJNMPFZSA-N 2 1 322.456 3.079 20 0 DGADMP Cc1scc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1C ZINC000638184191 434973675 /nfs/dbraw/zinc/97/36/75/434973675.db2.gz XYBPWNRJBCFJDV-BRWVUGGUSA-N 2 1 308.491 3.048 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@@H]3C(F)F)CC2)cc1 ZINC000554372845 434925072 /nfs/dbraw/zinc/92/50/72/434925072.db2.gz AKMMOGMHDDTBGA-HOTGVXAUSA-N 2 1 312.379 3.076 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798671 434929425 /nfs/dbraw/zinc/92/94/25/434929425.db2.gz MDAVNXSZANDSMY-WMLDXEAASA-N 2 1 318.461 3.072 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638376029 435017735 /nfs/dbraw/zinc/01/77/35/435017735.db2.gz GSBJYCNCYNDVQT-QWHCGFSZSA-N 2 1 314.260 3.292 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638376029 435017739 /nfs/dbraw/zinc/01/77/39/435017739.db2.gz GSBJYCNCYNDVQT-QWHCGFSZSA-N 2 1 314.260 3.292 20 0 DGADMP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000638447723 435033669 /nfs/dbraw/zinc/03/36/69/435033669.db2.gz OBADGOJXQYFNPS-GTPINHCMSA-N 2 1 322.518 3.365 20 0 DGADMP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000638447723 435033670 /nfs/dbraw/zinc/03/36/70/435033670.db2.gz OBADGOJXQYFNPS-GTPINHCMSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc2ccc(F)c(F)c2n1)C[NH+]1CCCC1 ZINC000638386182 435019872 /nfs/dbraw/zinc/01/98/72/435019872.db2.gz LGBGWIOYAXFHFH-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP CO[C@@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000638419725 435027013 /nfs/dbraw/zinc/02/70/13/435027013.db2.gz IRBJQOIEIYGBAV-SFHVURJKSA-N 2 1 317.408 3.225 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000556093505 434995317 /nfs/dbraw/zinc/99/53/17/434995317.db2.gz KFJTVUNPPDXVRQ-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556093505 434995320 /nfs/dbraw/zinc/99/53/20/434995320.db2.gz KFJTVUNPPDXVRQ-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556093505 434995324 /nfs/dbraw/zinc/99/53/24/434995324.db2.gz KFJTVUNPPDXVRQ-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638291270 434998144 /nfs/dbraw/zinc/99/81/44/434998144.db2.gz NPKYICJSOHONDK-MJGOQNOKSA-N 2 1 315.505 3.284 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cc(C)ccc2C)C1 ZINC000464770712 434999660 /nfs/dbraw/zinc/99/96/60/434999660.db2.gz CVRHXSXIFLFOJI-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cc(C)ccc2C)C1 ZINC000464770712 434999665 /nfs/dbraw/zinc/99/96/65/434999665.db2.gz CVRHXSXIFLFOJI-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[C@@H]1C[NH+](C[C@@H](C)C[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000464788610 435002934 /nfs/dbraw/zinc/00/29/34/435002934.db2.gz KVCAGZKRXLNMFW-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP CC[C@@H]1C[N@H+](C[C@@H](C)C[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000464788610 435002941 /nfs/dbraw/zinc/00/29/41/435002941.db2.gz KVCAGZKRXLNMFW-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H](C)C[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000464788610 435002946 /nfs/dbraw/zinc/00/29/46/435002946.db2.gz KVCAGZKRXLNMFW-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638610624 435059460 /nfs/dbraw/zinc/05/94/60/435059460.db2.gz CGKQZAVAZZBYBT-LPHOPBHVSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000638676700 435067809 /nfs/dbraw/zinc/06/78/09/435067809.db2.gz PZFDVKYDSRNRAH-QFBILLFUSA-N 2 1 310.445 3.176 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000638676700 435067813 /nfs/dbraw/zinc/06/78/13/435067813.db2.gz PZFDVKYDSRNRAH-QFBILLFUSA-N 2 1 310.445 3.176 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H](C)C1 ZINC000557803043 435069331 /nfs/dbraw/zinc/06/93/31/435069331.db2.gz GRQBDGSRQOOCDM-KNSYAOBUSA-N 2 1 316.489 3.426 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638766018 435086233 /nfs/dbraw/zinc/08/62/33/435086233.db2.gz NVUALDDUFNCRBY-POAQFYNOSA-N 2 1 316.489 3.353 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638766018 435086236 /nfs/dbraw/zinc/08/62/36/435086236.db2.gz NVUALDDUFNCRBY-POAQFYNOSA-N 2 1 316.489 3.353 20 0 DGADMP Cc1cnc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797369 435089126 /nfs/dbraw/zinc/08/91/26/435089126.db2.gz QFTVOAQURWDYNO-QAPCUYQASA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000638797369 435089129 /nfs/dbraw/zinc/08/91/29/435089129.db2.gz QFTVOAQURWDYNO-QAPCUYQASA-N 2 1 313.445 3.373 20 0 DGADMP Cc1cnc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000638797369 435089134 /nfs/dbraw/zinc/08/91/34/435089134.db2.gz QFTVOAQURWDYNO-QAPCUYQASA-N 2 1 313.445 3.373 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000556924184 435038890 /nfs/dbraw/zinc/03/88/90/435038890.db2.gz QUFIACNKEKZNMY-CVEARBPZSA-N 2 1 314.477 3.348 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000556924184 435038894 /nfs/dbraw/zinc/03/88/94/435038894.db2.gz QUFIACNKEKZNMY-CVEARBPZSA-N 2 1 314.477 3.348 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638523938 435047074 /nfs/dbraw/zinc/04/70/74/435047074.db2.gz KMDUOAQWTLUZSC-AOIWGVFYSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638523938 435047075 /nfs/dbraw/zinc/04/70/75/435047075.db2.gz KMDUOAQWTLUZSC-AOIWGVFYSA-N 2 1 300.446 3.123 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638566980 435053632 /nfs/dbraw/zinc/05/36/32/435053632.db2.gz UZNLQMVLCQMTDY-MOPGFXCFSA-N 2 1 315.505 3.223 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638587656 435054814 /nfs/dbraw/zinc/05/48/14/435054814.db2.gz GYEMTOMAZZYHCW-RLLQIKCJSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638587656 435054817 /nfs/dbraw/zinc/05/48/17/435054817.db2.gz GYEMTOMAZZYHCW-RLLQIKCJSA-N 2 1 316.489 3.495 20 0 DGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000560024795 435146515 /nfs/dbraw/zinc/14/65/15/435146515.db2.gz JNEBHNDOUCTRCE-IAGOWNOFSA-N 2 1 318.509 3.300 20 0 DGADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000560024798 435146830 /nfs/dbraw/zinc/14/68/30/435146830.db2.gz JNEBHNDOUCTRCE-IRXDYDNUSA-N 2 1 318.509 3.300 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)[C@H]1C ZINC000474485303 435148660 /nfs/dbraw/zinc/14/86/60/435148660.db2.gz PSPMKLLDBJCROE-LEUOFYLZSA-N 2 1 324.509 3.064 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CCC1 ZINC000578738604 435105631 /nfs/dbraw/zinc/10/56/31/435105631.db2.gz DBKBTQPGKRPKJP-KRWDZBQOSA-N 2 1 315.848 3.490 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699723 435107154 /nfs/dbraw/zinc/10/71/54/435107154.db2.gz JUNMTYRDHOVAFW-YRPNKDGESA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699723 435107158 /nfs/dbraw/zinc/10/71/58/435107158.db2.gz JUNMTYRDHOVAFW-YRPNKDGESA-N 2 1 316.489 3.474 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C1CCCCC1 ZINC000559145241 435123218 /nfs/dbraw/zinc/12/32/18/435123218.db2.gz GGMRXAAVKJZTTP-HBFSDRIKSA-N 2 1 321.553 3.161 20 0 DGADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCCCCC2)c2cccs2)CC1 ZINC000531931977 435127299 /nfs/dbraw/zinc/12/72/99/435127299.db2.gz COGIPZQNFMGIRA-KRWDZBQOSA-N 2 1 321.534 3.349 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000468813585 435127704 /nfs/dbraw/zinc/12/77/04/435127704.db2.gz CBWAJHCUFOKMAO-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000531945365 435128872 /nfs/dbraw/zinc/12/88/72/435128872.db2.gz KKITWAWAOBGDKY-QFBILLFUSA-N 2 1 304.478 3.336 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400276 435131514 /nfs/dbraw/zinc/13/15/14/435131514.db2.gz GFNNVILULCFTLG-RDJZCZTQSA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400276 435131518 /nfs/dbraw/zinc/13/15/18/435131518.db2.gz GFNNVILULCFTLG-RDJZCZTQSA-N 2 1 308.853 3.277 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400276 435131523 /nfs/dbraw/zinc/13/15/23/435131523.db2.gz GFNNVILULCFTLG-RDJZCZTQSA-N 2 1 308.853 3.277 20 0 DGADMP OCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639037677 435132774 /nfs/dbraw/zinc/13/27/74/435132774.db2.gz LKJAYYXIGDMBLE-IEBWSBKVSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639037677 435132776 /nfs/dbraw/zinc/13/27/76/435132776.db2.gz LKJAYYXIGDMBLE-IEBWSBKVSA-N 2 1 314.473 3.107 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639038101 435133231 /nfs/dbraw/zinc/13/32/31/435133231.db2.gz OSWUURMUWVIDEN-HQRMLTQVSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639038101 435133233 /nfs/dbraw/zinc/13/32/33/435133233.db2.gz OSWUURMUWVIDEN-HQRMLTQVSA-N 2 1 314.473 3.371 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000532227618 435150324 /nfs/dbraw/zinc/15/03/24/435150324.db2.gz OEFXZUVPSHYIDF-VQTJNVASSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@@H+](CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000559751881 435139511 /nfs/dbraw/zinc/13/95/11/435139511.db2.gz OHXHUKJNBOEZRZ-AZUAARDMSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000559751881 435139515 /nfs/dbraw/zinc/13/95/15/435139515.db2.gz OHXHUKJNBOEZRZ-AZUAARDMSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000559751881 435139518 /nfs/dbraw/zinc/13/95/18/435139518.db2.gz OHXHUKJNBOEZRZ-AZUAARDMSA-N 2 1 315.505 3.286 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCC(C)C ZINC000579246226 435141655 /nfs/dbraw/zinc/14/16/55/435141655.db2.gz XIJINYLIOVZLJA-ZBFHGGJFSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCC(C)C ZINC000579246226 435141657 /nfs/dbraw/zinc/14/16/57/435141657.db2.gz XIJINYLIOVZLJA-ZBFHGGJFSA-N 2 1 306.450 3.042 20 0 DGADMP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000559919608 435143007 /nfs/dbraw/zinc/14/30/07/435143007.db2.gz OHHCSFRNBCVUFQ-ICBNADEASA-N 2 1 302.437 3.377 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187897 435145937 /nfs/dbraw/zinc/14/59/37/435145937.db2.gz FEXPWPWOAQHVNL-BRWVUGGUSA-N 2 1 321.534 3.205 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176643 435184532 /nfs/dbraw/zinc/18/45/32/435184532.db2.gz IQKAQVBWINJFET-QGZVFWFLSA-N 2 1 324.472 3.102 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639185240 435189401 /nfs/dbraw/zinc/18/94/01/435189401.db2.gz KMDUOAQWTLUZSC-YQVWRLOYSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639185240 435189405 /nfs/dbraw/zinc/18/94/05/435189405.db2.gz KMDUOAQWTLUZSC-YQVWRLOYSA-N 2 1 300.446 3.123 20 0 DGADMP COc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475328771 435190364 /nfs/dbraw/zinc/19/03/64/435190364.db2.gz CZSDAOIJZIJCQW-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475328771 435190369 /nfs/dbraw/zinc/19/03/69/435190369.db2.gz CZSDAOIJZIJCQW-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475328771 435190371 /nfs/dbraw/zinc/19/03/71/435190371.db2.gz CZSDAOIJZIJCQW-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475328771 435190374 /nfs/dbraw/zinc/19/03/74/435190374.db2.gz CZSDAOIJZIJCQW-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000475347200 435192449 /nfs/dbraw/zinc/19/24/49/435192449.db2.gz GIUUXDDDGSUEGB-SFHVURJKSA-N 2 1 302.462 3.046 20 0 DGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000560880406 435195196 /nfs/dbraw/zinc/19/51/96/435195196.db2.gz OJWPKMRBLWTZJN-LTIDMASMSA-N 2 1 321.534 3.061 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000494355619 435196042 /nfs/dbraw/zinc/19/60/42/435196042.db2.gz GDYUGKWFWUMUAC-HNNXBMFYSA-N 2 1 310.507 3.222 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000494355619 435196044 /nfs/dbraw/zinc/19/60/44/435196044.db2.gz GDYUGKWFWUMUAC-HNNXBMFYSA-N 2 1 310.507 3.222 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000579974437 435197076 /nfs/dbraw/zinc/19/70/76/435197076.db2.gz GAWYYIFEXBAYSH-ZBFHGGJFSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000579974437 435197078 /nfs/dbraw/zinc/19/70/78/435197078.db2.gz GAWYYIFEXBAYSH-ZBFHGGJFSA-N 2 1 306.450 3.186 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000494600108 435197450 /nfs/dbraw/zinc/19/74/50/435197450.db2.gz HRDOEOSXAMCCOF-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000494600108 435197453 /nfs/dbraw/zinc/19/74/53/435197453.db2.gz HRDOEOSXAMCCOF-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222536 435201729 /nfs/dbraw/zinc/20/17/29/435201729.db2.gz LUXOYBGUAFMIMJ-POAQFYNOSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222536 435201732 /nfs/dbraw/zinc/20/17/32/435201732.db2.gz LUXOYBGUAFMIMJ-POAQFYNOSA-N 2 1 316.489 3.495 20 0 DGADMP CC(C)(CO)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639221158 435201909 /nfs/dbraw/zinc/20/19/09/435201909.db2.gz MELANRZIEKDYCX-PKOBYXMFSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CO)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639221158 435201910 /nfs/dbraw/zinc/20/19/10/435201910.db2.gz MELANRZIEKDYCX-PKOBYXMFSA-N 2 1 316.489 3.353 20 0 DGADMP FC(F)COCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639093858 435152098 /nfs/dbraw/zinc/15/20/98/435152098.db2.gz BTDGVBHXXRMCFN-DOTOQJQBSA-N 2 1 324.415 3.226 20 0 DGADMP FC(F)COCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639093858 435152102 /nfs/dbraw/zinc/15/21/02/435152102.db2.gz BTDGVBHXXRMCFN-DOTOQJQBSA-N 2 1 324.415 3.226 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639098817 435153634 /nfs/dbraw/zinc/15/36/34/435153634.db2.gz YROOVHKDWDLISV-JQERWDHBSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639098817 435153639 /nfs/dbraw/zinc/15/36/39/435153639.db2.gz YROOVHKDWDLISV-JQERWDHBSA-N 2 1 314.473 3.105 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC000474620466 435153689 /nfs/dbraw/zinc/15/36/89/435153689.db2.gz WPHXYNQVNUZKMH-CPUCHLNUSA-N 2 1 320.477 3.126 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560265025 435158230 /nfs/dbraw/zinc/15/82/30/435158230.db2.gz MJSVOQZBFSKXJC-HNAYVOBHSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1OCCc2sccc21 ZINC000579545886 435161555 /nfs/dbraw/zinc/16/15/55/435161555.db2.gz GOMODZUFEMFORY-FZKQIMNGSA-N 2 1 320.502 3.214 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H](C)O ZINC000639230662 435206885 /nfs/dbraw/zinc/20/68/85/435206885.db2.gz CNUQRYYXUVQTBZ-SKWUIDRYSA-N 2 1 302.462 3.104 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H](C)O ZINC000639230662 435206888 /nfs/dbraw/zinc/20/68/88/435206888.db2.gz CNUQRYYXUVQTBZ-SKWUIDRYSA-N 2 1 302.462 3.104 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591839 435167835 /nfs/dbraw/zinc/16/78/35/435167835.db2.gz QGEAHQYEGQQQDE-MOPGFXCFSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591839 435167841 /nfs/dbraw/zinc/16/78/41/435167841.db2.gz QGEAHQYEGQQQDE-MOPGFXCFSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000639142230 435172911 /nfs/dbraw/zinc/17/29/11/435172911.db2.gz WJSZHERIYGPVAX-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000639142230 435172916 /nfs/dbraw/zinc/17/29/16/435172916.db2.gz WJSZHERIYGPVAX-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](c2ccccc2)CO1 ZINC000579722341 435179293 /nfs/dbraw/zinc/17/92/93/435179293.db2.gz IOXUTCKDEDXRMV-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](c2ccccc2)CO1 ZINC000579722341 435179297 /nfs/dbraw/zinc/17/92/97/435179297.db2.gz IOXUTCKDEDXRMV-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP CC(C)O[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000639259967 435215558 /nfs/dbraw/zinc/21/55/58/435215558.db2.gz YLRLJDADDDFWQN-HKUYNNGSSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000580311323 435222028 /nfs/dbraw/zinc/22/20/28/435222028.db2.gz HRUKIXRSAYREHV-BDAKNGLRSA-N 2 1 305.647 3.318 20 0 DGADMP CC1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000561597005 435224861 /nfs/dbraw/zinc/22/48/61/435224861.db2.gz RNKABMVKZGKKON-RRWXTXHCSA-N 2 1 316.489 3.312 20 0 DGADMP OCC1(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639245929 435213410 /nfs/dbraw/zinc/21/34/10/435213410.db2.gz OGUWOBPKFHKFKR-MJGOQNOKSA-N 2 1 314.473 3.107 20 0 DGADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639245929 435213417 /nfs/dbraw/zinc/21/34/17/435213417.db2.gz OGUWOBPKFHKFKR-MJGOQNOKSA-N 2 1 314.473 3.107 20 0 DGADMP CC(C)(C)[C@@]1(C[NH2+]C/C=C/CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000639307547 435237993 /nfs/dbraw/zinc/23/79/93/435237993.db2.gz BCFXVIRLZYZOSH-AQKVLALTSA-N 2 1 316.489 3.063 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CCO1 ZINC000639334486 435249762 /nfs/dbraw/zinc/24/97/62/435249762.db2.gz DVZJAMWYAMWBEM-XUVXKRRUSA-N 2 1 316.489 3.223 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330061 435246486 /nfs/dbraw/zinc/24/64/86/435246486.db2.gz QLZUQLYXASDOFL-GYSYKLTISA-N 2 1 317.260 3.099 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000562040924 435248456 /nfs/dbraw/zinc/24/84/56/435248456.db2.gz GDLWXFWDZNKMNH-RRFJBIMHSA-N 2 1 322.415 3.341 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000562040924 435248459 /nfs/dbraw/zinc/24/84/59/435248459.db2.gz GDLWXFWDZNKMNH-RRFJBIMHSA-N 2 1 322.415 3.341 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255869 /nfs/dbraw/zinc/25/58/69/435255869.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255873 /nfs/dbraw/zinc/25/58/73/435255873.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255877 /nfs/dbraw/zinc/25/58/77/435255877.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255881 /nfs/dbraw/zinc/25/58/81/435255881.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255884 /nfs/dbraw/zinc/25/58/84/435255884.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 1 315.505 3.143 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374141 435271896 /nfs/dbraw/zinc/27/18/96/435271896.db2.gz BDZMOQYKQHNJLM-IBGZPJMESA-N 2 1 316.489 3.194 20 0 DGADMP CCC1([NH+]2CCCC2)CCN(Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000639375989 435274567 /nfs/dbraw/zinc/27/45/67/435274567.db2.gz NXIQPKQLYIRPCG-UHFFFAOYSA-N 2 1 317.477 3.239 20 0 DGADMP COc1ccc(OC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000534317010 435279589 /nfs/dbraw/zinc/27/95/89/435279589.db2.gz TYQISAAFLYCYSY-MRXNPFEDSA-N 2 1 318.461 3.023 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000584217487 435285984 /nfs/dbraw/zinc/28/59/84/435285984.db2.gz PLWIOXLCTDQBIP-MRXNPFEDSA-N 2 1 301.478 3.172 20 0 DGADMP Cc1cccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000584319572 435290539 /nfs/dbraw/zinc/29/05/39/435290539.db2.gz HKZHCFHCHIPKOC-WOJBJXKFSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000584319572 435290544 /nfs/dbraw/zinc/29/05/44/435290544.db2.gz HKZHCFHCHIPKOC-WOJBJXKFSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000584319572 435290546 /nfs/dbraw/zinc/29/05/46/435290546.db2.gz HKZHCFHCHIPKOC-WOJBJXKFSA-N 2 1 316.489 3.367 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000584319572 435290551 /nfs/dbraw/zinc/29/05/51/435290551.db2.gz HKZHCFHCHIPKOC-WOJBJXKFSA-N 2 1 316.489 3.367 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCCC(C)C ZINC000567176086 435294527 /nfs/dbraw/zinc/29/45/27/435294527.db2.gz CZRGIWPGJUHRGN-WBVHZDCISA-N 2 1 320.477 3.432 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCCC(C)C ZINC000567176086 435294531 /nfs/dbraw/zinc/29/45/31/435294531.db2.gz CZRGIWPGJUHRGN-WBVHZDCISA-N 2 1 320.477 3.432 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000567286237 435305568 /nfs/dbraw/zinc/30/55/68/435305568.db2.gz FVZNXOWGSXRXCK-DLBZAZTESA-N 2 1 301.478 3.436 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000567286237 435305571 /nfs/dbraw/zinc/30/55/71/435305571.db2.gz FVZNXOWGSXRXCK-DLBZAZTESA-N 2 1 301.478 3.436 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639357084 435261028 /nfs/dbraw/zinc/26/10/28/435261028.db2.gz NDXWVSYNLQEMNH-CAMMJAKZSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639357084 435261033 /nfs/dbraw/zinc/26/10/33/435261033.db2.gz NDXWVSYNLQEMNH-CAMMJAKZSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359990 435262120 /nfs/dbraw/zinc/26/21/20/435262120.db2.gz RYHKYSAPYDWZJY-XKGZKEIXSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000639359692 435263227 /nfs/dbraw/zinc/26/32/27/435263227.db2.gz PGCDWAVDGPPRNW-OHFALNGGSA-N 2 1 308.416 3.388 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCOC3)CC1 ZINC000639510034 435323643 /nfs/dbraw/zinc/32/36/43/435323643.db2.gz UHUFCKJPFHUSSI-UHFFFAOYSA-N 2 1 302.462 3.066 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CCOC)c2ccccc2)C1 ZINC000535279740 435326461 /nfs/dbraw/zinc/32/64/61/435326461.db2.gz DSNRAHUFPSLHRC-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000535279740 435326465 /nfs/dbraw/zinc/32/64/65/435326465.db2.gz DSNRAHUFPSLHRC-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000535279740 435326469 /nfs/dbraw/zinc/32/64/69/435326469.db2.gz DSNRAHUFPSLHRC-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000535315195 435328207 /nfs/dbraw/zinc/32/82/07/435328207.db2.gz XNJGRKQLBMYTNJ-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@H]1CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000535315195 435328212 /nfs/dbraw/zinc/32/82/12/435328212.db2.gz XNJGRKQLBMYTNJ-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000511737912 435331687 /nfs/dbraw/zinc/33/16/87/435331687.db2.gz NJRZRVPCPMUMCG-SJLPKXTDSA-N 2 1 304.478 3.281 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000479591276 435341962 /nfs/dbraw/zinc/34/19/62/435341962.db2.gz KSZGZLVVXUHDLZ-ZDUSSCGKSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Br ZINC000643521674 435342146 /nfs/dbraw/zinc/34/21/46/435342146.db2.gz ULHRBAOMDJVRSA-CMPLNLGQSA-N 2 1 315.230 3.381 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000479591275 435342442 /nfs/dbraw/zinc/34/24/42/435342442.db2.gz KSZGZLVVXUHDLZ-CYBMUJFWSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000643528782 435344212 /nfs/dbraw/zinc/34/42/12/435344212.db2.gz OQWAVQXJTYPRLU-ZWNOBZJWSA-N 2 1 305.422 3.263 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)(C)C ZINC000643547622 435349538 /nfs/dbraw/zinc/34/95/38/435349538.db2.gz IIYSSJIFIVJZGE-DZGCQCFKSA-N 2 1 304.482 3.272 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(-c2ccccc2)nn1C ZINC000643548551 435349833 /nfs/dbraw/zinc/34/98/33/435349833.db2.gz QSQBCQCBSXFZJC-DOTOQJQBSA-N 2 1 324.472 3.412 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C2CCCC2)c1 ZINC000643547343 435350211 /nfs/dbraw/zinc/35/02/11/435350211.db2.gz DBJQSIBBMRNVCZ-ZBFHGGJFSA-N 2 1 302.466 3.324 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546971 435350435 /nfs/dbraw/zinc/35/04/35/435350435.db2.gz XQWMZGAHVHBMTG-KBPBESRZSA-N 2 1 304.434 3.029 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643548147 435350532 /nfs/dbraw/zinc/35/05/32/435350532.db2.gz NBFXJJFYDQCNSE-AAEUAGOBSA-N 2 1 309.841 3.069 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587573 435352287 /nfs/dbraw/zinc/35/22/87/435352287.db2.gz JSWUGARPPAAUGB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587573 435352290 /nfs/dbraw/zinc/35/22/90/435352290.db2.gz JSWUGARPPAAUGB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587573 435352294 /nfs/dbraw/zinc/35/22/94/435352294.db2.gz JSWUGARPPAAUGB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP Cc1cc(C)c(CN[C@@H](CO)c2ccc(Cl)cc2)c(C)n1 ZINC000639595223 435359833 /nfs/dbraw/zinc/35/98/33/435359833.db2.gz GXZYKMSHJUQWTP-KRWDZBQOSA-N 2 1 304.821 3.483 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000479997830 435361141 /nfs/dbraw/zinc/36/11/41/435361141.db2.gz ZZLZPJYLABRAET-UHFFFAOYSA-N 2 1 320.477 3.319 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000639471972 435310972 /nfs/dbraw/zinc/31/09/72/435310972.db2.gz IPWISHIPPFVFHD-FXAWDEMLSA-N 2 1 316.489 3.255 20 0 DGADMP Cn1cncc1CCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000568176137 435400251 /nfs/dbraw/zinc/40/02/51/435400251.db2.gz RHGNENBTMMEOGH-QGZVFWFLSA-N 2 1 319.836 3.080 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCOC1 ZINC000536713261 435403869 /nfs/dbraw/zinc/40/38/69/435403869.db2.gz MKWCHNKZYLMURM-GOSISDBHSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000481019771 435406108 /nfs/dbraw/zinc/40/61/08/435406108.db2.gz GKRGMHMGTZTQJD-DOMZBBRYSA-N 2 1 300.368 3.178 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)CC1 ZINC000639759863 435409276 /nfs/dbraw/zinc/40/92/76/435409276.db2.gz MCMAITHBHQERNG-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)CC1 ZINC000639755863 435410533 /nfs/dbraw/zinc/41/05/33/435410533.db2.gz PMVPDCXWRRSSIF-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568236300 435411870 /nfs/dbraw/zinc/41/18/70/435411870.db2.gz HHKRUOVNJJHDSW-AYBZRNKSSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568236300 435411875 /nfs/dbraw/zinc/41/18/75/435411875.db2.gz HHKRUOVNJJHDSW-AYBZRNKSSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779044 435412447 /nfs/dbraw/zinc/41/24/47/435412447.db2.gz WWBKMYTZJMMNMH-SFHVURJKSA-N 2 1 307.401 3.241 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@H](C)C1 ZINC000536854690 435416440 /nfs/dbraw/zinc/41/64/40/435416440.db2.gz WAHGCQTUVIMKSV-AEFFLSMTSA-N 2 1 324.534 3.407 20 0 DGADMP C[C@H]1CN(c2cc[nH+]c3c(O)cccc23)CC[N@H+](C2CCC2)C1 ZINC000644146093 435420133 /nfs/dbraw/zinc/42/01/33/435420133.db2.gz FFEISINUEFJRQM-CQSZACIVSA-N 2 1 311.429 3.251 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000536069248 435369363 /nfs/dbraw/zinc/36/93/63/435369363.db2.gz XRRWEJLPLFSKSJ-LBPRGKRZSA-N 2 1 305.809 3.072 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606416 435386178 /nfs/dbraw/zinc/38/61/78/435386178.db2.gz XTWGZESTAVVBRJ-BZUAXINKSA-N 2 1 318.461 3.434 20 0 DGADMP C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000480612528 435386568 /nfs/dbraw/zinc/38/65/68/435386568.db2.gz PPHAAHXFCBVLDA-ZWKOTPCHSA-N 2 1 321.553 3.494 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480643505 435388036 /nfs/dbraw/zinc/38/80/36/435388036.db2.gz HDOKHULRWUGZQP-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CC[C@@H](C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1)[NH+]1CCCC1 ZINC000513519889 435391182 /nfs/dbraw/zinc/39/11/82/435391182.db2.gz RNDVSNUMCZNOMO-ICSRJNTNSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cccc([C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639681973 435391950 /nfs/dbraw/zinc/39/19/50/435391950.db2.gz CMSZCXPDWZLKDK-INIZCTEOSA-N 2 1 311.429 3.364 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568162052 435398278 /nfs/dbraw/zinc/39/82/78/435398278.db2.gz NDETXJVWYDMYMZ-RDTXWAMCSA-N 2 1 311.429 3.069 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568162052 435398284 /nfs/dbraw/zinc/39/82/84/435398284.db2.gz NDETXJVWYDMYMZ-RDTXWAMCSA-N 2 1 311.429 3.069 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000514953368 435451296 /nfs/dbraw/zinc/45/12/96/435451296.db2.gz VJNHJZIRXYQEDN-BRWVUGGUSA-N 2 1 321.534 3.381 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000482151880 435453465 /nfs/dbraw/zinc/45/34/65/435453465.db2.gz OYZBIULHXQMFRL-LPHOPBHVSA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000482151880 435453471 /nfs/dbraw/zinc/45/34/71/435453471.db2.gz OYZBIULHXQMFRL-LPHOPBHVSA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000482151880 435453476 /nfs/dbraw/zinc/45/34/76/435453476.db2.gz OYZBIULHXQMFRL-LPHOPBHVSA-N 2 1 316.489 3.359 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000568631918 435456346 /nfs/dbraw/zinc/45/63/46/435456346.db2.gz DKMUYGWHEWZLBK-IUCAKERBSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249628 435460571 /nfs/dbraw/zinc/46/05/71/435460571.db2.gz ZHLUPTGIIOVCPB-IAGOWNOFSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249628 435460575 /nfs/dbraw/zinc/46/05/75/435460575.db2.gz ZHLUPTGIIOVCPB-IAGOWNOFSA-N 2 1 316.489 3.264 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482253367 435462178 /nfs/dbraw/zinc/46/21/78/435462178.db2.gz QCVZSICDHBQBQK-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482253367 435462182 /nfs/dbraw/zinc/46/21/82/435462182.db2.gz QCVZSICDHBQBQK-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482253367 435462186 /nfs/dbraw/zinc/46/21/86/435462186.db2.gz QCVZSICDHBQBQK-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP C([NH2+]C1C2CC3CC(C2)CC1C3)C1([NH+]2CCCC2)CCOCC1 ZINC000482559147 435472581 /nfs/dbraw/zinc/47/25/81/435472581.db2.gz MGZNBJWZSXKAFQ-UHFFFAOYSA-N 2 1 318.505 3.046 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000482644523 435476758 /nfs/dbraw/zinc/47/67/58/435476758.db2.gz SNWLTEWNBJEZPU-QFBILLFUSA-N 2 1 304.478 3.194 20 0 DGADMP CCn1nccc1C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000514665310 435427813 /nfs/dbraw/zinc/42/78/13/435427813.db2.gz CKQRDTRPXPGPLO-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP Cc1cnc(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)c1 ZINC000639984499 435480085 /nfs/dbraw/zinc/48/00/85/435480085.db2.gz WNVFYQFTMZTQJP-UHFFFAOYSA-N 2 1 301.478 3.191 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000481559942 435432103 /nfs/dbraw/zinc/43/21/03/435432103.db2.gz HKJXYVHBMATCBE-GDBMZVCRSA-N 2 1 310.869 3.347 20 0 DGADMP CN(C)c1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639982405 435480136 /nfs/dbraw/zinc/48/01/36/435480136.db2.gz OXSCRPUAQUXWHQ-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OC ZINC000644411869 435439718 /nfs/dbraw/zinc/43/97/18/435439718.db2.gz FEQLCCYIJBEODP-HUUCEWRRSA-N 2 1 308.466 3.160 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874071 435442992 /nfs/dbraw/zinc/44/29/92/435442992.db2.gz PCPANIWIHWPKGH-UHFFFAOYSA-N 2 1 316.424 3.385 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063099 435507528 /nfs/dbraw/zinc/50/75/28/435507528.db2.gz UUXYPYUSXJWEKQ-GXTWGEPZSA-N 2 1 303.406 3.058 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063099 435507531 /nfs/dbraw/zinc/50/75/31/435507531.db2.gz UUXYPYUSXJWEKQ-GXTWGEPZSA-N 2 1 303.406 3.058 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000538750327 435521690 /nfs/dbraw/zinc/52/16/90/435521690.db2.gz RNUYOUIZRQPDJL-ZMBJWTFHSA-N 2 1 320.452 3.272 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000539091986 435536822 /nfs/dbraw/zinc/53/68/22/435536822.db2.gz LXDWMZHGCNZOOY-WCQYABFASA-N 2 1 317.260 3.302 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000516436062 435530239 /nfs/dbraw/zinc/53/02/39/435530239.db2.gz PMRBHGFYAFUNOP-MSOLQXFVSA-N 2 1 306.494 3.193 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482872489 435485574 /nfs/dbraw/zinc/48/55/74/435485574.db2.gz ZGOOCHRVUPRUEU-FFZOFVMBSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000482888837 435486522 /nfs/dbraw/zinc/48/65/22/435486522.db2.gz LIAPLFVDMLFSOC-OALUTQOASA-N 2 1 318.505 3.355 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000515500971 435487516 /nfs/dbraw/zinc/48/75/16/435487516.db2.gz XXZPJBZLUSWYPA-HNNXBMFYSA-N 2 1 315.461 3.142 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000483170391 435501754 /nfs/dbraw/zinc/50/17/54/435501754.db2.gz RLQXEGBWOBPPPY-BPQIPLTHSA-N 2 1 319.468 3.033 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000483170391 435501756 /nfs/dbraw/zinc/50/17/56/435501756.db2.gz RLQXEGBWOBPPPY-BPQIPLTHSA-N 2 1 319.468 3.033 20 0 DGADMP c1ccc(CCCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484794717 435554894 /nfs/dbraw/zinc/55/48/94/435554894.db2.gz SGQZMIDHPSBNKZ-AQNXPRMDSA-N 2 1 316.489 3.146 20 0 DGADMP CCc1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc[nH+]1 ZINC000649287745 435558039 /nfs/dbraw/zinc/55/80/39/435558039.db2.gz NHNYMFVGXXXTQV-GOSISDBHSA-N 2 1 306.413 3.195 20 0 DGADMP Cc1ccc2cc[nH+]c(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000645102429 435566804 /nfs/dbraw/zinc/56/68/04/435566804.db2.gz QMLQHVOPLWRSPO-UHFFFAOYSA-N 2 1 304.397 3.265 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@@H]3CCCO3)C2)s1 ZINC000516995886 435568405 /nfs/dbraw/zinc/56/84/05/435568405.db2.gz GKVJOBKAEVHPHJ-IRXDYDNUSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@@H]3CCCO3)C2)s1 ZINC000516995886 435568410 /nfs/dbraw/zinc/56/84/10/435568410.db2.gz GKVJOBKAEVHPHJ-IRXDYDNUSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@@H]3CCCO3)C2)s1 ZINC000516995886 435568413 /nfs/dbraw/zinc/56/84/13/435568413.db2.gz GKVJOBKAEVHPHJ-IRXDYDNUSA-N 2 1 322.518 3.379 20 0 DGADMP CC[NH+](CC)CC1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645126388 435573529 /nfs/dbraw/zinc/57/35/29/435573529.db2.gz ODHWAGNMHHRWGS-UHFFFAOYSA-N 2 1 315.465 3.133 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000645188554 435587727 /nfs/dbraw/zinc/58/77/27/435587727.db2.gz NDXQYRNGLNUNAI-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000645188554 435587731 /nfs/dbraw/zinc/58/77/31/435587731.db2.gz NDXQYRNGLNUNAI-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000645188554 435587735 /nfs/dbraw/zinc/58/77/35/435587735.db2.gz NDXQYRNGLNUNAI-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000540143261 435587934 /nfs/dbraw/zinc/58/79/34/435587934.db2.gz BJFSJCMLOHLOKA-MLGOLLRUSA-N 2 1 310.844 3.441 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2C)CC1 ZINC000569524520 435539101 /nfs/dbraw/zinc/53/91/01/435539101.db2.gz CJGGGWVDDRWPPB-UHFFFAOYSA-N 2 1 320.477 3.366 20 0 DGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168076 435540325 /nfs/dbraw/zinc/54/03/25/435540325.db2.gz ABXXLFPEQQSNJS-IHPCNDPISA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168076 435540332 /nfs/dbraw/zinc/54/03/32/435540332.db2.gz ABXXLFPEQQSNJS-IHPCNDPISA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320752 435609062 /nfs/dbraw/zinc/60/90/62/435609062.db2.gz XOOILYOBXZYKFQ-VHSSKADRSA-N 2 1 324.896 3.472 20 0 DGADMP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320752 435609064 /nfs/dbraw/zinc/60/90/64/435609064.db2.gz XOOILYOBXZYKFQ-VHSSKADRSA-N 2 1 324.896 3.472 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000540627760 435609979 /nfs/dbraw/zinc/60/99/79/435609979.db2.gz IAXHXGCPYIGCEW-YZGWKJHDSA-N 2 1 316.489 3.303 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000486934494 435621464 /nfs/dbraw/zinc/62/14/64/435621464.db2.gz YMEFBLGZQUMIIC-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccco2)no1 ZINC000640530727 435598127 /nfs/dbraw/zinc/59/81/27/435598127.db2.gz BSILHYZVAGPTCA-UHFFFAOYSA-N 2 1 318.421 3.028 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccco2)no1 ZINC000640530727 435598131 /nfs/dbraw/zinc/59/81/31/435598131.db2.gz BSILHYZVAGPTCA-UHFFFAOYSA-N 2 1 318.421 3.028 20 0 DGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000570189486 435598788 /nfs/dbraw/zinc/59/87/88/435598788.db2.gz SSLSQGTVBBJRIU-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517572496 435600864 /nfs/dbraw/zinc/60/08/64/435600864.db2.gz MNLURTFNFCHYKZ-HIFRSBDPSA-N 2 1 305.466 3.355 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000540498844 435602774 /nfs/dbraw/zinc/60/27/74/435602774.db2.gz PNOLQCRIYBACTD-UHFFFAOYSA-N 2 1 304.478 3.495 20 0 DGADMP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n[nH]1 ZINC000570301540 435606019 /nfs/dbraw/zinc/60/60/19/435606019.db2.gz CXPOONPXZNFZLH-SXLOBPIMSA-N 2 1 324.472 3.190 20 0 DGADMP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n[nH]1 ZINC000570301540 435606026 /nfs/dbraw/zinc/60/60/26/435606026.db2.gz CXPOONPXZNFZLH-SXLOBPIMSA-N 2 1 324.472 3.190 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827591 435651301 /nfs/dbraw/zinc/65/13/01/435651301.db2.gz IADBPMXFWDPUIP-YLJYHZDGSA-N 2 1 324.468 3.179 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649711123 435677543 /nfs/dbraw/zinc/67/75/43/435677543.db2.gz XKRAOLXNIUKGOI-LBPRGKRZSA-N 2 1 308.363 3.227 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649711123 435677547 /nfs/dbraw/zinc/67/75/47/435677547.db2.gz XKRAOLXNIUKGOI-LBPRGKRZSA-N 2 1 308.363 3.227 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222395 435689427 /nfs/dbraw/zinc/68/94/27/435689427.db2.gz MWJJITFOCSWURI-DOTOQJQBSA-N 2 1 310.445 3.161 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222395 435689431 /nfs/dbraw/zinc/68/94/31/435689431.db2.gz MWJJITFOCSWURI-DOTOQJQBSA-N 2 1 310.445 3.161 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367090 300255767 /nfs/dbraw/zinc/25/57/67/300255767.db2.gz BRORKNYSALDXDW-FXAWDEMLSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367090 300255773 /nfs/dbraw/zinc/25/57/73/300255773.db2.gz BRORKNYSALDXDW-FXAWDEMLSA-N 2 1 316.489 3.098 20 0 DGADMP C[N@@H+](CCC[C@@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000645810959 435696084 /nfs/dbraw/zinc/69/60/84/435696084.db2.gz NABHGMDPGJWJJT-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@@H]1CCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000645810959 435696090 /nfs/dbraw/zinc/69/60/90/435696090.db2.gz NABHGMDPGJWJJT-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000645810959 435696093 /nfs/dbraw/zinc/69/60/93/435696093.db2.gz NABHGMDPGJWJJT-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOC3CCC3)C2)s1 ZINC000519700827 435702534 /nfs/dbraw/zinc/70/25/34/435702534.db2.gz IEVUVWACZXKRDE-INIZCTEOSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOC3CCC3)C2)s1 ZINC000519700827 435702538 /nfs/dbraw/zinc/70/25/38/435702538.db2.gz IEVUVWACZXKRDE-INIZCTEOSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOC3CCC3)C2)s1 ZINC000519700827 435702543 /nfs/dbraw/zinc/70/25/43/435702543.db2.gz IEVUVWACZXKRDE-INIZCTEOSA-N 2 1 322.518 3.379 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000571746246 435731481 /nfs/dbraw/zinc/73/14/81/435731481.db2.gz DCVMEZIRPHUJDZ-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000571746246 435731494 /nfs/dbraw/zinc/73/14/94/435731494.db2.gz DCVMEZIRPHUJDZ-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000571746246 435731495 /nfs/dbraw/zinc/73/14/95/435731495.db2.gz DCVMEZIRPHUJDZ-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)CC1 ZINC000660416976 435732244 /nfs/dbraw/zinc/73/22/44/435732244.db2.gz ZNYZOKUTLWVUBK-CQSZACIVSA-N 2 1 303.475 3.255 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2nsc3ccccc32)CC1 ZINC000660416976 435732250 /nfs/dbraw/zinc/73/22/50/435732250.db2.gz ZNYZOKUTLWVUBK-CQSZACIVSA-N 2 1 303.475 3.255 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655700451 435733935 /nfs/dbraw/zinc/73/39/35/435733935.db2.gz IMTHZEAZDVNRHN-APWZRJJASA-N 2 1 308.510 3.436 20 0 DGADMP CCC1CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655715013 435742852 /nfs/dbraw/zinc/74/28/52/435742852.db2.gz HOTJRSAITXFDPX-FAFZWHIHSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000646010868 435742916 /nfs/dbraw/zinc/74/29/16/435742916.db2.gz VUWUBUJVKGPXSD-SFHVURJKSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000646010868 435742927 /nfs/dbraw/zinc/74/29/27/435742927.db2.gz VUWUBUJVKGPXSD-SFHVURJKSA-N 2 1 301.409 3.428 20 0 DGADMP CC(C[NH+]1CC[C@]2(CC2(F)F)C1)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649906854 435746675 /nfs/dbraw/zinc/74/66/75/435746675.db2.gz DOGPMOJXWDMVLC-KBPBESRZSA-N 2 1 320.374 3.085 20 0 DGADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655716678 435747026 /nfs/dbraw/zinc/74/70/26/435747026.db2.gz XAKYAUIFFGBVED-ZIFCJYIRSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655723592 435751302 /nfs/dbraw/zinc/75/13/02/435751302.db2.gz QDGPXDOFYFPSDT-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645893676 435713336 /nfs/dbraw/zinc/71/33/36/435713336.db2.gz TZGIWSCGTNDAHM-INIZCTEOSA-N 2 1 304.434 3.050 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466625 435762456 /nfs/dbraw/zinc/76/24/56/435762456.db2.gz VFKKZLXSUKMRMY-JWLCQNFESA-N 2 1 322.537 3.226 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466625 435762460 /nfs/dbraw/zinc/76/24/60/435762460.db2.gz VFKKZLXSUKMRMY-JWLCQNFESA-N 2 1 322.537 3.226 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466625 435762466 /nfs/dbraw/zinc/76/24/66/435762466.db2.gz VFKKZLXSUKMRMY-JWLCQNFESA-N 2 1 322.537 3.226 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000571634228 435722280 /nfs/dbraw/zinc/72/22/80/435722280.db2.gz KHEBNPYMJPJFSL-ICSRJNTNSA-N 2 1 318.505 3.082 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccn21 ZINC000651680329 435788840 /nfs/dbraw/zinc/78/88/40/435788840.db2.gz HBJNCCADWIJDHA-HOTGVXAUSA-N 2 1 312.461 3.174 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccn21 ZINC000651680329 435788846 /nfs/dbraw/zinc/78/88/46/435788846.db2.gz HBJNCCADWIJDHA-HOTGVXAUSA-N 2 1 312.461 3.174 20 0 DGADMP CCCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ncsc2C1 ZINC000646130368 435789366 /nfs/dbraw/zinc/78/93/66/435789366.db2.gz QNCDEIQVYOFAGL-HNNXBMFYSA-N 2 1 318.490 3.308 20 0 DGADMP CCCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ncsc2C1 ZINC000646130368 435789374 /nfs/dbraw/zinc/78/93/74/435789374.db2.gz QNCDEIQVYOFAGL-HNNXBMFYSA-N 2 1 318.490 3.308 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1 ZINC000641706139 435792875 /nfs/dbraw/zinc/79/28/75/435792875.db2.gz YKCORTVACZBZOH-UHFFFAOYSA-N 2 1 316.449 3.013 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1 ZINC000641706139 435792881 /nfs/dbraw/zinc/79/28/81/435792881.db2.gz YKCORTVACZBZOH-UHFFFAOYSA-N 2 1 316.449 3.013 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000550262130 435798410 /nfs/dbraw/zinc/79/84/10/435798410.db2.gz PMUISKWKFOAFRK-MRXNPFEDSA-N 2 1 306.498 3.075 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000550262130 435798413 /nfs/dbraw/zinc/79/84/13/435798413.db2.gz PMUISKWKFOAFRK-MRXNPFEDSA-N 2 1 306.498 3.075 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000550262129 435799124 /nfs/dbraw/zinc/79/91/24/435799124.db2.gz PMUISKWKFOAFRK-INIZCTEOSA-N 2 1 306.498 3.075 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000550262129 435799129 /nfs/dbraw/zinc/79/91/29/435799129.db2.gz PMUISKWKFOAFRK-INIZCTEOSA-N 2 1 306.498 3.075 20 0 DGADMP c1cc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2s1 ZINC000655793143 435800320 /nfs/dbraw/zinc/80/03/20/435800320.db2.gz UQRWCMJQPUSULW-QGZVFWFLSA-N 2 1 316.470 3.244 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccncc2N)C[N@H+]1Cc1ccccc1 ZINC000641744816 435807883 /nfs/dbraw/zinc/80/78/83/435807883.db2.gz ZZXFJHVWUKGAQM-SJLPKXTDSA-N 2 1 324.472 3.054 20 0 DGADMP CCOC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000550796978 435810615 /nfs/dbraw/zinc/81/06/15/435810615.db2.gz HVUSYNIEJMOLGT-FHWLQOOXSA-N 2 1 304.478 3.473 20 0 DGADMP CCOC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000550796978 435810622 /nfs/dbraw/zinc/81/06/22/435810622.db2.gz HVUSYNIEJMOLGT-FHWLQOOXSA-N 2 1 304.478 3.473 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1csc2ccccc12 ZINC000641771908 435815343 /nfs/dbraw/zinc/81/53/43/435815343.db2.gz MKOJOUYOSOSNLB-OAHLLOKOSA-N 2 1 306.475 3.084 20 0 DGADMP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000651758872 435818702 /nfs/dbraw/zinc/81/87/02/435818702.db2.gz QJPZNTXTDATROY-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472396 435765663 /nfs/dbraw/zinc/76/56/63/435765663.db2.gz JXPBZTZCCOZKDT-ZBFHGGJFSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@H](c1cc(F)ccc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472396 435765669 /nfs/dbraw/zinc/76/56/69/435765669.db2.gz JXPBZTZCCOZKDT-ZBFHGGJFSA-N 2 1 324.415 3.213 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081508 435771513 /nfs/dbraw/zinc/77/15/13/435771513.db2.gz GYLBTHSQKKKBEW-OALUTQOASA-N 2 1 314.473 3.130 20 0 DGADMP COCC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000655816343 435820964 /nfs/dbraw/zinc/82/09/64/435820964.db2.gz VQPWYTKFZXVILT-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3ccccc3s1)CCO2 ZINC000646106122 435780638 /nfs/dbraw/zinc/78/06/38/435780638.db2.gz POUOFVZFBVWZJF-UHFFFAOYSA-N 2 1 316.470 3.198 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C/c1ccc(Cl)cc1)CCO2 ZINC000646106298 435783833 /nfs/dbraw/zinc/78/38/33/435783833.db2.gz SYMXXCMNUPAQHF-NSCUHMNNSA-N 2 1 320.864 3.150 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C/c1ccc(Cl)cc1)CCO2 ZINC000646106298 435783839 /nfs/dbraw/zinc/78/38/39/435783839.db2.gz SYMXXCMNUPAQHF-NSCUHMNNSA-N 2 1 320.864 3.150 20 0 DGADMP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771580 435787056 /nfs/dbraw/zinc/78/70/56/435787056.db2.gz NBTFGSJAFMVPIA-GOEBONIOSA-N 2 1 316.436 3.045 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641799933 435829105 /nfs/dbraw/zinc/82/91/05/435829105.db2.gz SWUXQGFEBWVBDY-IBGZPJMESA-N 2 1 311.429 3.226 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641799933 435829109 /nfs/dbraw/zinc/82/91/09/435829109.db2.gz SWUXQGFEBWVBDY-IBGZPJMESA-N 2 1 311.429 3.226 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000572475181 435830291 /nfs/dbraw/zinc/83/02/91/435830291.db2.gz NWVVXVIEPZKIQO-MUSFGAPCSA-N 2 1 300.446 3.287 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000551327535 435831239 /nfs/dbraw/zinc/83/12/39/435831239.db2.gz WJISJPOLPMCCEF-MRXNPFEDSA-N 2 1 314.477 3.231 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663136 435845598 /nfs/dbraw/zinc/84/55/98/435845598.db2.gz NLRFZYLKKCYCQP-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663136 435845602 /nfs/dbraw/zinc/84/56/02/435845602.db2.gz NLRFZYLKKCYCQP-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660663136 435845607 /nfs/dbraw/zinc/84/56/07/435845607.db2.gz NLRFZYLKKCYCQP-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660663136 435845612 /nfs/dbraw/zinc/84/56/12/435845612.db2.gz NLRFZYLKKCYCQP-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1ncc(C[NH2+]CCC[N@@H+](C)CC(C)C)n1-c1ccccc1 ZINC000651865807 435850977 /nfs/dbraw/zinc/85/09/77/435850977.db2.gz IOWCRKSWZSEIEY-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP Cc1ncc(C[NH2+]CCC[N@H+](C)CC(C)C)n1-c1ccccc1 ZINC000651865807 435850981 /nfs/dbraw/zinc/85/09/81/435850981.db2.gz IOWCRKSWZSEIEY-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1nsc3ccccc31)C2 ZINC000660664068 435851140 /nfs/dbraw/zinc/85/11/40/435851140.db2.gz PQPIQSAHANEHIU-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1nsc3ccccc31)C2 ZINC000660664068 435851145 /nfs/dbraw/zinc/85/11/45/435851145.db2.gz PQPIQSAHANEHIU-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1nsc3ccccc31)C2 ZINC000660664068 435851150 /nfs/dbraw/zinc/85/11/50/435851150.db2.gz PQPIQSAHANEHIU-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1nsc3ccccc31)C2 ZINC000660664068 435851156 /nfs/dbraw/zinc/85/11/56/435851156.db2.gz PQPIQSAHANEHIU-SFHVURJKSA-N 2 1 315.486 3.257 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777320 435851748 /nfs/dbraw/zinc/85/17/48/435851748.db2.gz HZVXVUIEAZJDQT-AZUAARDMSA-N 2 1 318.505 3.337 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777320 435851756 /nfs/dbraw/zinc/85/17/56/435851756.db2.gz HZVXVUIEAZJDQT-AZUAARDMSA-N 2 1 318.505 3.337 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)O1 ZINC000660674990 435854478 /nfs/dbraw/zinc/85/44/78/435854478.db2.gz FBZOTZOMROJUEF-GOSISDBHSA-N 2 1 302.462 3.198 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651894101 435855879 /nfs/dbraw/zinc/85/58/79/435855879.db2.gz RDWUFJUFQYVSKZ-HNJRGHQBSA-N 2 1 318.505 3.426 20 0 DGADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651894101 435855884 /nfs/dbraw/zinc/85/58/84/435855884.db2.gz RDWUFJUFQYVSKZ-HNJRGHQBSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000651897139 435859378 /nfs/dbraw/zinc/85/93/78/435859378.db2.gz PEGSQXFAOSBRRC-LJQANCHMSA-N 2 1 320.477 3.016 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695073 435862732 /nfs/dbraw/zinc/86/27/32/435862732.db2.gz LTNRGEDGXYHPBT-SFHVURJKSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000660696491 435863575 /nfs/dbraw/zinc/86/35/75/435863575.db2.gz QVDWURGSCIPGKX-POHAHGRESA-N 2 1 316.489 3.162 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000655940295 435864671 /nfs/dbraw/zinc/86/46/71/435864671.db2.gz QNMQZRVPBWPTOY-BQFCYCMXSA-N 2 1 322.880 3.367 20 0 DGADMP CC[N@@H+](C)C[C@H](O)CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801098 435868022 /nfs/dbraw/zinc/86/80/22/435868022.db2.gz OAOQJPKFOAVWEB-HIFRSBDPSA-N 2 1 310.869 3.178 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000552055035 435877488 /nfs/dbraw/zinc/87/74/88/435877488.db2.gz YHGUIJRCNPQJIF-YHDCXSKOSA-N 2 1 314.473 3.227 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(OC)c1 ZINC000652220499 435925807 /nfs/dbraw/zinc/92/58/07/435925807.db2.gz BLHOLKHJGRQAIL-HNNXBMFYSA-N 2 1 308.466 3.332 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(OC)c1 ZINC000652220499 435925812 /nfs/dbraw/zinc/92/58/12/435925812.db2.gz BLHOLKHJGRQAIL-HNNXBMFYSA-N 2 1 308.466 3.332 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCCC1 ZINC000665246470 435928312 /nfs/dbraw/zinc/92/83/12/435928312.db2.gz GGQXMBGGBCCIAP-QGZVFWFLSA-N 2 1 310.445 3.111 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC2CC2)cc1 ZINC000665254857 435929810 /nfs/dbraw/zinc/92/98/10/435929810.db2.gz AHIWRFSTEJIALO-CCKFTAQKSA-N 2 1 302.462 3.309 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000665255507 435929895 /nfs/dbraw/zinc/92/98/95/435929895.db2.gz UVHPHMCVNUVNRZ-FXECBMLZSA-N 2 1 302.462 3.309 20 0 DGADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665262268 435931809 /nfs/dbraw/zinc/93/18/09/435931809.db2.gz XJCSUCFFEIMDDU-NVGVWMPQSA-N 2 1 318.367 3.467 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000652237084 435931867 /nfs/dbraw/zinc/93/18/67/435931867.db2.gz GJEVSQIHRWEGIY-KRWDZBQOSA-N 3 1 309.542 3.351 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCC2CC2)cc1F ZINC000665259312 435932107 /nfs/dbraw/zinc/93/21/07/435932107.db2.gz BEGFKMGMJPEIQQ-OWQGQXMQSA-N 2 1 320.452 3.448 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171498 435960624 /nfs/dbraw/zinc/96/06/24/435960624.db2.gz LXAKZQYQLOEXQV-GPMSIDNRSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000650707602 435994810 /nfs/dbraw/zinc/99/48/10/435994810.db2.gz JEMWAHYWTARXFX-HVMFNXBNSA-N 2 1 308.510 3.421 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000647228577 435981672 /nfs/dbraw/zinc/98/16/72/435981672.db2.gz FZBPTOJYZKNBQO-CQSZACIVSA-N 2 1 317.864 3.362 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000647244530 435988376 /nfs/dbraw/zinc/98/83/76/435988376.db2.gz BCXLXUOQEHJAJF-RAUXBKROSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000647244530 435988381 /nfs/dbraw/zinc/98/83/81/435988381.db2.gz BCXLXUOQEHJAJF-RAUXBKROSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000665282289 435938611 /nfs/dbraw/zinc/93/86/11/435938611.db2.gz VBFCEWBLUHHGMC-MSOLQXFVSA-N 2 1 301.409 3.273 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000665281228 435938655 /nfs/dbraw/zinc/93/86/55/435938655.db2.gz XVMMDMSMPKNPGY-DGCLKSJQSA-N 2 1 308.857 3.251 20 0 DGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348061 435954041 /nfs/dbraw/zinc/95/40/41/435954041.db2.gz TUKLIIXSIVPEKO-UMPJEAMMSA-N 2 1 324.415 3.244 20 0 DGADMP CCc1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348497 435956020 /nfs/dbraw/zinc/95/60/20/435956020.db2.gz GGXTXTWSBGDFJN-XUVXKRRUSA-N 2 1 316.489 3.010 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)[C@@H]1CC[NH3+] ZINC000650710969 435999155 /nfs/dbraw/zinc/99/91/55/435999155.db2.gz DUQJIMAJIKFCIX-CZUORRHYSA-N 2 1 312.404 3.280 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647282981 435999312 /nfs/dbraw/zinc/99/93/12/435999312.db2.gz CLXARHVQLORUTR-DLBZAZTESA-N 2 1 318.509 3.382 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710212 435999504 /nfs/dbraw/zinc/99/95/04/435999504.db2.gz HWSRAQNJBUMAND-OKZBNKHCSA-N 3 1 307.526 3.009 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OC ZINC000650710867 435999638 /nfs/dbraw/zinc/99/96/38/435999638.db2.gz AZHLXBSBDNINPN-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718092 436004333 /nfs/dbraw/zinc/00/43/33/436004333.db2.gz XQLCBAXVEGJCBB-UHFFFAOYSA-N 2 1 318.440 3.143 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000650722511 436005832 /nfs/dbraw/zinc/00/58/32/436005832.db2.gz VVTMELPZZGVCSD-ZACQAIPSSA-N 2 1 308.853 3.201 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000650722818 436006865 /nfs/dbraw/zinc/00/68/65/436006865.db2.gz BXWXUTXWZNNIBO-NXWXRZEISA-N 2 1 302.462 3.151 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650722996 436007035 /nfs/dbraw/zinc/00/70/35/436007035.db2.gz FTRNXBOLQOVNPC-KBRIMQKVSA-N 2 1 308.491 3.171 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723261 436007767 /nfs/dbraw/zinc/00/77/67/436007767.db2.gz KLCLOFZNMIAMJJ-MDNKFWRPSA-N 2 1 316.489 3.226 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000650723058 436008716 /nfs/dbraw/zinc/00/87/16/436008716.db2.gz HAOBDYLGJZHYHW-BRWVUGGUSA-N 2 1 324.415 3.485 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690827 436010962 /nfs/dbraw/zinc/01/09/62/436010962.db2.gz MXMWBBMGNDRTEK-IAGOWNOFSA-N 2 1 310.869 3.082 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000656690827 436010965 /nfs/dbraw/zinc/01/09/65/436010965.db2.gz MXMWBBMGNDRTEK-IAGOWNOFSA-N 2 1 310.869 3.082 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694612 436013641 /nfs/dbraw/zinc/01/36/41/436013641.db2.gz SKGAFDFOLARFIG-SJORKVTESA-N 2 1 312.885 3.328 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694612 436013646 /nfs/dbraw/zinc/01/36/46/436013646.db2.gz SKGAFDFOLARFIG-SJORKVTESA-N 2 1 312.885 3.328 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742106 436013919 /nfs/dbraw/zinc/01/39/19/436013919.db2.gz QZLROANEASHNTH-QWHCGFSZSA-N 2 1 303.381 3.228 20 0 DGADMP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)c(F)c1 ZINC000650754378 436019263 /nfs/dbraw/zinc/01/92/63/436019263.db2.gz HQEXHZOGJWTMHN-KRWDZBQOSA-N 2 1 324.346 3.040 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000647344650 436025480 /nfs/dbraw/zinc/02/54/80/436025480.db2.gz WEDIGCAXURJHDX-AABGKKOBSA-N 2 1 316.489 3.127 20 0 DGADMP c1ccc2ncc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000656783636 436043595 /nfs/dbraw/zinc/04/35/95/436043595.db2.gz RXTVFHLGNQCHPW-LJQANCHMSA-N 2 1 309.457 3.446 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708178 435995464 /nfs/dbraw/zinc/99/54/64/435995464.db2.gz UWPYKTKRZPTIPT-JQHSSLGASA-N 2 1 322.880 3.367 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Cl ZINC000650707236 435995475 /nfs/dbraw/zinc/99/54/75/435995475.db2.gz BKGPOEGHHAQAFN-XYJFISCASA-N 2 1 322.880 3.367 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000650705550 435996275 /nfs/dbraw/zinc/99/62/75/435996275.db2.gz LFNYZMOUPXEGOO-DJIMGWMZSA-N 2 1 308.853 3.058 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)C1 ZINC000650708131 435996302 /nfs/dbraw/zinc/99/63/02/435996302.db2.gz UDKCRSQLZVXBHT-GMBSWORKSA-N 2 1 314.429 3.151 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480180 436059451 /nfs/dbraw/zinc/05/94/51/436059451.db2.gz GBEMAFDVSURUJC-FXAWDEMLSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480180 436059456 /nfs/dbraw/zinc/05/94/56/436059456.db2.gz GBEMAFDVSURUJC-FXAWDEMLSA-N 2 1 324.472 3.145 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000647479968 436060628 /nfs/dbraw/zinc/06/06/28/436060628.db2.gz ZJSGKIZTRWCKGO-WMZOPIPTSA-N 2 1 314.473 3.364 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480300 436061645 /nfs/dbraw/zinc/06/16/45/436061645.db2.gz IYVUEDMJUYRYKT-IEBWSBKVSA-N 2 1 314.473 3.439 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480300 436061649 /nfs/dbraw/zinc/06/16/49/436061649.db2.gz IYVUEDMJUYRYKT-IEBWSBKVSA-N 2 1 314.473 3.439 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482995 436062206 /nfs/dbraw/zinc/06/22/06/436062206.db2.gz QDVFPWKJXBKSRP-UHFFFAOYSA-N 2 1 302.462 3.438 20 0 DGADMP Cn1cc(C[N@H+](C)C2CC[NH2+]CC2)c(-c2cc3ccccc3o2)n1 ZINC000647484170 436062474 /nfs/dbraw/zinc/06/24/74/436062474.db2.gz FZSAQHFXKZHWNP-UHFFFAOYSA-N 2 1 324.428 3.017 20 0 DGADMP Cn1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(-c2cc3ccccc3o2)n1 ZINC000647484170 436062477 /nfs/dbraw/zinc/06/24/77/436062477.db2.gz FZSAQHFXKZHWNP-UHFFFAOYSA-N 2 1 324.428 3.017 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000647481775 436064256 /nfs/dbraw/zinc/06/42/56/436064256.db2.gz FNKDWESCHQPMDV-UHFFFAOYSA-N 2 1 314.404 3.328 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647498899 436065651 /nfs/dbraw/zinc/06/56/51/436065651.db2.gz SUCXAYTYYIMZTD-ZFWWWQNUSA-N 2 1 316.367 3.187 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498111 436066259 /nfs/dbraw/zinc/06/62/59/436066259.db2.gz ALAGDLOEASYWIA-CVEARBPZSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498111 436066265 /nfs/dbraw/zinc/06/62/65/436066265.db2.gz ALAGDLOEASYWIA-CVEARBPZSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647499009 436068381 /nfs/dbraw/zinc/06/83/81/436068381.db2.gz WRPHRCUACDNTRG-UAGQMJEPSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647499009 436068383 /nfs/dbraw/zinc/06/83/83/436068383.db2.gz WRPHRCUACDNTRG-UAGQMJEPSA-N 2 1 320.477 3.432 20 0 DGADMP CCOc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OCC(C)C ZINC000647531641 436073368 /nfs/dbraw/zinc/07/33/68/436073368.db2.gz NNWDKUGQOJKPCB-UHFFFAOYSA-N 2 1 320.477 3.433 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531147 436073518 /nfs/dbraw/zinc/07/35/18/436073518.db2.gz DFVNAOVEBYQASB-UHFFFAOYSA-N 2 1 318.852 3.147 20 0 DGADMP Cn1cc(C[NH+]2CCC(C)([NH3+])CC2)c(-c2cc3ccccc3o2)n1 ZINC000647531178 436073641 /nfs/dbraw/zinc/07/36/41/436073641.db2.gz FQQVCAOJBSNNKP-UHFFFAOYSA-N 2 1 324.428 3.147 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542779 436076845 /nfs/dbraw/zinc/07/68/45/436076845.db2.gz BQTHXZSKFGOXPU-HUUCEWRRSA-N 2 1 307.507 3.478 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543614 436077387 /nfs/dbraw/zinc/07/73/87/436077387.db2.gz QIGFNZWEMVIDBK-IAGOWNOFSA-N 2 1 320.452 3.436 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543993 436078287 /nfs/dbraw/zinc/07/82/87/436078287.db2.gz VJBMSPRZUAFXAJ-MOPGFXCFSA-N 2 1 324.472 3.084 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543434 436079166 /nfs/dbraw/zinc/07/91/66/436079166.db2.gz NIBULINFVSVODJ-OALUTQOASA-N 2 1 301.478 3.034 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC000647543976 436079241 /nfs/dbraw/zinc/07/92/41/436079241.db2.gz VCJCIFYIZUMHJS-RTBURBONSA-N 2 1 324.472 3.084 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000647544404 436080875 /nfs/dbraw/zinc/08/08/75/436080875.db2.gz ZZRAIQXYXVVKFF-MSOLQXFVSA-N 2 1 324.472 3.288 20 0 DGADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544203 436080986 /nfs/dbraw/zinc/08/09/86/436080986.db2.gz YFDHINSPLYEMSH-MOPGFXCFSA-N 2 1 302.462 3.045 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551113 436082845 /nfs/dbraw/zinc/08/28/45/436082845.db2.gz YHQMDHYXJANHTR-WFASDCNBSA-N 2 1 312.379 3.325 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2cccc(F)c2)cc1 ZINC000647801217 436126579 /nfs/dbraw/zinc/12/65/79/436126579.db2.gz RLWIFMKDKRWAHG-RTBURBONSA-N 2 1 314.404 3.374 20 0 DGADMP C[C@H](C[NH2+]Cc1cccc(F)c1OC(F)F)C[NH+]1CCCC1 ZINC000657318623 436134272 /nfs/dbraw/zinc/13/42/72/436134272.db2.gz LLXMDONABICVGK-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000647872648 436138617 /nfs/dbraw/zinc/13/86/17/436138617.db2.gz NHGWRACCCSIPSL-UHFFFAOYSA-N 2 1 304.434 3.017 20 0 DGADMP c1ccc(CC[N@H+](CCCC2CC[NH2+]CC2)[C@H]2CCOC2)cc1 ZINC000647891550 436142424 /nfs/dbraw/zinc/14/24/24/436142424.db2.gz POAVJESHJSAJDY-FQEVSTJZSA-N 2 1 316.489 3.100 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](c2ccsc2)O1 ZINC000647889980 436142721 /nfs/dbraw/zinc/14/27/21/436142721.db2.gz CFPXTFYVPBWNMZ-YOEHRIQHSA-N 2 1 308.491 3.290 20 0 DGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647888173 436142922 /nfs/dbraw/zinc/14/29/22/436142922.db2.gz WMEBLTAMBYXAJG-LSDHHAIUSA-N 2 1 322.880 3.213 20 0 DGADMP CC(C)[C@H](CO)[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647886101 436143155 /nfs/dbraw/zinc/14/31/55/436143155.db2.gz SMDXLBUGSZVCTH-FQEVSTJZSA-N 2 1 318.505 3.285 20 0 DGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000647888054 436143181 /nfs/dbraw/zinc/14/31/81/436143181.db2.gz FRMJTVKXOKTYLF-RCCFBDPRSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000647886722 436143429 /nfs/dbraw/zinc/14/34/29/436143429.db2.gz OMAPMJLYCSFYGP-BEFAXECRSA-N 2 1 320.452 3.367 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901305 436144355 /nfs/dbraw/zinc/14/43/55/436144355.db2.gz LUHVCXYMKDMQJF-VQTJNVASSA-N 2 1 316.489 3.100 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902818 436144929 /nfs/dbraw/zinc/14/49/29/436144929.db2.gz CHECEPVJTPAGPV-PKOBYXMFSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903574 436145069 /nfs/dbraw/zinc/14/50/69/436145069.db2.gz MJWYEVWGLGRZQB-ZWKOTPCHSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000647908231 436145710 /nfs/dbraw/zinc/14/57/10/436145710.db2.gz QKJVLRPSVUETAF-NUEKZKHPSA-N 2 1 312.379 3.307 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000657347956 436151980 /nfs/dbraw/zinc/15/19/80/436151980.db2.gz YRHVTPOMXLEISK-CQSZACIVSA-N 2 1 301.434 3.325 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647936852 436152136 /nfs/dbraw/zinc/15/21/36/436152136.db2.gz MENJGEGDOWDFND-DOMZBBRYSA-N 2 1 316.367 3.143 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789092 436119216 /nfs/dbraw/zinc/11/92/16/436119216.db2.gz YLNPBEWWIVVBTD-YSIASYRMSA-N 3 1 315.505 3.005 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(F)c(F)c1F ZINC000657293722 436119791 /nfs/dbraw/zinc/11/97/91/436119791.db2.gz UOJUXZVXMZUSAF-GFCCVEGCSA-N 2 1 300.368 3.458 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1c[nH+]ccc1N ZINC000647800416 436122692 /nfs/dbraw/zinc/12/26/92/436122692.db2.gz AXHHEXHPVZCZFH-CHWSQXEVSA-N 2 1 315.442 3.088 20 0 DGADMP C[C@]1(F)CNCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647981876 436166919 /nfs/dbraw/zinc/16/69/19/436166919.db2.gz QGDQSWOPWFXAHR-HNNXBMFYSA-N 2 1 318.358 3.271 20 0 DGADMP C[C@]1(F)CNCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647981876 436166922 /nfs/dbraw/zinc/16/69/22/436166922.db2.gz QGDQSWOPWFXAHR-HNNXBMFYSA-N 2 1 318.358 3.271 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977732 436167009 /nfs/dbraw/zinc/16/70/09/436167009.db2.gz GTIDYFCVGLFTAV-LSDHHAIUSA-N 2 1 305.466 3.184 20 0 DGADMP Cc1ccc([C@H]2CCCCCN2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964360 436163154 /nfs/dbraw/zinc/16/31/54/436163154.db2.gz GBFJMMDONONNOA-IAGOWNOFSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964360 436163155 /nfs/dbraw/zinc/16/31/55/436163155.db2.gz GBFJMMDONONNOA-IAGOWNOFSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964360 436163156 /nfs/dbraw/zinc/16/31/56/436163156.db2.gz GBFJMMDONONNOA-IAGOWNOFSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964360 436163157 /nfs/dbraw/zinc/16/31/57/436163157.db2.gz GBFJMMDONONNOA-IAGOWNOFSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964360 436163158 /nfs/dbraw/zinc/16/31/58/436163158.db2.gz GBFJMMDONONNOA-IAGOWNOFSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H]2CC[NH2+]C2)C3)cs1 ZINC000647990897 436169514 /nfs/dbraw/zinc/16/95/14/436169514.db2.gz TXLGTBAYKREUPV-GFCCVEGCSA-N 2 1 319.499 3.148 20 0 DGADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C3)cs1 ZINC000647990897 436169517 /nfs/dbraw/zinc/16/95/17/436169517.db2.gz TXLGTBAYKREUPV-GFCCVEGCSA-N 2 1 319.499 3.148 20 0 DGADMP C[C@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000647989543 436169698 /nfs/dbraw/zinc/16/96/98/436169698.db2.gz BRINDIPCWIVIJZ-NEPJUHHUSA-N 2 1 317.260 3.302 20 0 DGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429888 436197470 /nfs/dbraw/zinc/19/74/70/436197470.db2.gz MIMBWXGRKKRXJY-JKSUJKDBSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429888 436197475 /nfs/dbraw/zinc/19/74/75/436197475.db2.gz MIMBWXGRKKRXJY-JKSUJKDBSA-N 2 1 304.482 3.036 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000648068387 436200766 /nfs/dbraw/zinc/20/07/66/436200766.db2.gz VONROFIIPHQKOL-RTWAWAEBSA-N 2 1 323.484 3.258 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCc2noc3ccccc32)C1 ZINC000653562850 436206544 /nfs/dbraw/zinc/20/65/44/436206544.db2.gz MQBYWXLWIMGMON-INIZCTEOSA-N 2 1 313.445 3.034 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653562850 436206547 /nfs/dbraw/zinc/20/65/47/436206547.db2.gz MQBYWXLWIMGMON-INIZCTEOSA-N 2 1 313.445 3.034 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653562850 436206549 /nfs/dbraw/zinc/20/65/49/436206549.db2.gz MQBYWXLWIMGMON-INIZCTEOSA-N 2 1 313.445 3.034 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2noc3ccccc32)C1 ZINC000653562850 436206552 /nfs/dbraw/zinc/20/65/52/436206552.db2.gz MQBYWXLWIMGMON-INIZCTEOSA-N 2 1 313.445 3.034 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000653562850 436206554 /nfs/dbraw/zinc/20/65/54/436206554.db2.gz MQBYWXLWIMGMON-INIZCTEOSA-N 2 1 313.445 3.034 20 0 DGADMP Cc1ccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)[nH]c2c1 ZINC000657449191 436206951 /nfs/dbraw/zinc/20/69/51/436206951.db2.gz QWIXFRJRGAIFGB-MRXNPFEDSA-N 2 1 315.461 3.067 20 0 DGADMP Cc1cccc2[nH]c(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cc21 ZINC000657447701 436207457 /nfs/dbraw/zinc/20/74/57/436207457.db2.gz GGUINJDVGVKLRV-MRXNPFEDSA-N 2 1 315.461 3.067 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657469575 436216499 /nfs/dbraw/zinc/21/64/99/436216499.db2.gz KHGHXISQBSNHCX-HSALFYBXSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1C ZINC000653592119 436218513 /nfs/dbraw/zinc/21/85/13/436218513.db2.gz MRFGWRJXMUUQRR-QGZVFWFLSA-N 2 1 313.445 3.295 20 0 DGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C1CC1 ZINC000666834151 436289104 /nfs/dbraw/zinc/28/91/04/436289104.db2.gz JDOMETBVIIHWSZ-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2CC2CCCC2)CC1 ZINC000653892581 436292653 /nfs/dbraw/zinc/29/26/53/436292653.db2.gz KGTKXKBOFBZETE-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000653701828 436246861 /nfs/dbraw/zinc/24/68/61/436246861.db2.gz FNSLACTYIMIYER-HNNXBMFYSA-N 2 1 303.837 3.496 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000653701828 436246867 /nfs/dbraw/zinc/24/68/67/436246867.db2.gz FNSLACTYIMIYER-HNNXBMFYSA-N 2 1 303.837 3.496 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@@H]1C ZINC000657596405 436257062 /nfs/dbraw/zinc/25/70/62/436257062.db2.gz MYDVTDKGEJFEJF-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@H]1C ZINC000657596407 436257317 /nfs/dbraw/zinc/25/73/17/436257317.db2.gz MYDVTDKGEJFEJF-YAJHFMINSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCc2ccc(F)cc21 ZINC000653779969 436264224 /nfs/dbraw/zinc/26/42/24/436264224.db2.gz MTUSCJIUHSPBKG-AWEZNQCLSA-N 2 1 301.409 3.154 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCc2ccc(F)cc21 ZINC000653779969 436264228 /nfs/dbraw/zinc/26/42/28/436264228.db2.gz MTUSCJIUHSPBKG-AWEZNQCLSA-N 2 1 301.409 3.154 20 0 DGADMP CC(C)c1nc([C@@H]2CCCCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC000666705447 436268057 /nfs/dbraw/zinc/26/80/57/436268057.db2.gz QZOZCBNRBPEEDD-PMPSAXMXSA-N 2 1 320.481 3.498 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC000666702068 436268205 /nfs/dbraw/zinc/26/82/05/436268205.db2.gz YOQIWWGMHVGFEU-VXGBXAGGSA-N 2 1 309.251 3.153 20 0 DGADMP CC(C)c1nc([C@H]2CCCCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC000666705442 436268409 /nfs/dbraw/zinc/26/84/09/436268409.db2.gz QZOZCBNRBPEEDD-BZUAXINKSA-N 2 1 320.481 3.498 20 0 DGADMP C[C@H]1C[C@H](C[N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC000666702066 436268534 /nfs/dbraw/zinc/26/85/34/436268534.db2.gz YOQIWWGMHVGFEU-NWDGAFQWSA-N 2 1 309.251 3.153 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]CC([NH3+])(CC)CC)ccc1OC ZINC000666753660 436276142 /nfs/dbraw/zinc/27/61/42/436276142.db2.gz ODLHNTOXQRYCAJ-AWEZNQCLSA-N 2 1 308.466 3.480 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@H](O)CN(C)C1CC1)C(C)C ZINC000662107559 436276828 /nfs/dbraw/zinc/27/68/28/436276828.db2.gz RATGZOPDBGRBOT-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107559 436276830 /nfs/dbraw/zinc/27/68/30/436276830.db2.gz RATGZOPDBGRBOT-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107559 436276832 /nfs/dbraw/zinc/27/68/32/436276832.db2.gz RATGZOPDBGRBOT-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000662107559 436276835 /nfs/dbraw/zinc/27/68/35/436276835.db2.gz RATGZOPDBGRBOT-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000662107559 436276837 /nfs/dbraw/zinc/27/68/37/436276837.db2.gz RATGZOPDBGRBOT-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657966550 436348250 /nfs/dbraw/zinc/34/82/50/436348250.db2.gz HUMXZMITWXWWHG-QXAKKESOSA-N 2 1 324.472 3.218 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000666872565 436299058 /nfs/dbraw/zinc/29/90/58/436299058.db2.gz XPSYDUXNUKYUOW-DZKIICNBSA-N 2 1 306.450 3.103 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCOCC3)C3(CCC3)C2)cc1 ZINC000657772456 436299837 /nfs/dbraw/zinc/29/98/37/436299837.db2.gz NGJYUBLOSJPESC-GOSISDBHSA-N 2 1 314.473 3.057 20 0 DGADMP FC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657773319 436299883 /nfs/dbraw/zinc/29/98/83/436299883.db2.gz QLOBYLVSHUPZLW-KRWDZBQOSA-N 2 1 302.437 3.380 20 0 DGADMP Fc1ccc(SCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000662236241 436308679 /nfs/dbraw/zinc/30/86/79/436308679.db2.gz WHVXUMHLXQWZMB-UHFFFAOYSA-N 2 1 312.429 3.273 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662257453 436313606 /nfs/dbraw/zinc/31/36/06/436313606.db2.gz SHLSFPFXXRKWRA-GOSISDBHSA-N 2 1 322.452 3.330 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267023 436317679 /nfs/dbraw/zinc/31/76/79/436317679.db2.gz RTRGPGKDMATOMA-QWRGUYRKSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662267023 436317683 /nfs/dbraw/zinc/31/76/83/436317683.db2.gz RTRGPGKDMATOMA-QWRGUYRKSA-N 2 1 323.234 3.364 20 0 DGADMP CC[C@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000662270491 436318131 /nfs/dbraw/zinc/31/81/31/436318131.db2.gz LOTQCEMVNXVVGW-FZMZJTMJSA-N 2 1 300.418 3.116 20 0 DGADMP CC[C@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000662270491 436318136 /nfs/dbraw/zinc/31/81/36/436318136.db2.gz LOTQCEMVNXVVGW-FZMZJTMJSA-N 2 1 300.418 3.116 20 0 DGADMP Cc1nocc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270532 436319156 /nfs/dbraw/zinc/31/91/56/436319156.db2.gz MCICZZBAWBGTPU-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662283306 436323385 /nfs/dbraw/zinc/32/33/85/436323385.db2.gz HGPYHCAFJIUJGL-TUVASFSCSA-N 2 1 304.425 3.029 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294243 436325355 /nfs/dbraw/zinc/32/53/55/436325355.db2.gz QEYGXEGEQAZNAU-UKRRQHHQSA-N 2 1 323.506 3.062 20 0 DGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294089 436326672 /nfs/dbraw/zinc/32/66/72/436326672.db2.gz OWZZBNXMERGXPS-YJBOKZPZSA-N 2 1 302.462 3.468 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000662311262 436327229 /nfs/dbraw/zinc/32/72/29/436327229.db2.gz RHMWDHBFVOQYQO-HXUWFJFHSA-N 2 1 316.489 3.438 20 0 DGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)c1 ZINC000657861629 436327463 /nfs/dbraw/zinc/32/74/63/436327463.db2.gz VCHIYLVLPUGZEZ-JKSUJKDBSA-N 2 1 320.502 3.261 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)c1 ZINC000657861629 436327469 /nfs/dbraw/zinc/32/74/69/436327469.db2.gz VCHIYLVLPUGZEZ-JKSUJKDBSA-N 2 1 320.502 3.261 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000662304917 436328026 /nfs/dbraw/zinc/32/80/26/436328026.db2.gz DHZQULPWNMOXET-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H]1CCC[NH3+] ZINC000662313697 436328497 /nfs/dbraw/zinc/32/84/97/436328497.db2.gz WXUWGPZIDXHBJH-CZUORRHYSA-N 2 1 323.868 3.118 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)[C@@H]1CCC[NH3+] ZINC000662313237 436329220 /nfs/dbraw/zinc/32/92/20/436329220.db2.gz HMFCAOUFFSVOMH-GDBMZVCRSA-N 2 1 314.433 3.076 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662320314 436330156 /nfs/dbraw/zinc/33/01/56/436330156.db2.gz AZAAQQDQSLKBMG-SFHVURJKSA-N 2 1 304.478 3.154 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000662319837 436330782 /nfs/dbraw/zinc/33/07/82/436330782.db2.gz NSFVUXRIIUXORT-HKUYNNGSSA-N 2 1 302.462 3.107 20 0 DGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657880447 436332400 /nfs/dbraw/zinc/33/24/00/436332400.db2.gz BXITYIAYVOWZNJ-KRWDZBQOSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1COC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000657900606 436337184 /nfs/dbraw/zinc/33/71/84/436337184.db2.gz RGQRLUKMWFRGDK-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP COC1([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657899197 436337313 /nfs/dbraw/zinc/33/73/13/436337313.db2.gz IGBPKQAEGUTHQU-DLBZAZTESA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CC[N@H+]3C(C)(C)C)CC2)C1 ZINC000658058822 436361605 /nfs/dbraw/zinc/36/16/05/436361605.db2.gz UUFVWXPHYOIEOU-BHIYHBOVSA-N 2 1 321.553 3.492 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000658249336 436411026 /nfs/dbraw/zinc/41/10/26/436411026.db2.gz AHBGUEAXWSUBCX-VHSSKADRSA-N 2 1 311.429 3.135 20 0 DGADMP CCCC[C@@H](CC)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136828 436384860 /nfs/dbraw/zinc/38/48/60/436384860.db2.gz FJVJBUNTBREWRH-MOPGFXCFSA-N 2 1 304.478 3.312 20 0 DGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139417 436386008 /nfs/dbraw/zinc/38/60/08/436386008.db2.gz RJCDRTIQDSZCFU-HSALFYBXSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658146040 436387127 /nfs/dbraw/zinc/38/71/27/436387127.db2.gz UBLUBUPNMSKZBS-UWJYYQICSA-N 2 1 324.468 3.412 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000658171030 436394425 /nfs/dbraw/zinc/39/44/25/436394425.db2.gz WBJNRGQQTAWWGE-MLGOLLRUSA-N 2 1 321.371 3.256 20 0 DGADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658227780 436404622 /nfs/dbraw/zinc/40/46/22/436404622.db2.gz CVBNGJLARGCENI-FUHWJXTLSA-N 2 1 318.509 3.392 20 0 DGADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658227780 436404626 /nfs/dbraw/zinc/40/46/26/436404626.db2.gz CVBNGJLARGCENI-FUHWJXTLSA-N 2 1 318.509 3.392 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229844 436407460 /nfs/dbraw/zinc/40/74/60/436407460.db2.gz IJRKCPTVXVEAOJ-HTBDUDNFSA-N 2 1 306.494 3.187 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229844 436407463 /nfs/dbraw/zinc/40/74/63/436407463.db2.gz IJRKCPTVXVEAOJ-HTBDUDNFSA-N 2 1 306.494 3.187 20 0 DGADMP COCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320005 436429954 /nfs/dbraw/zinc/42/99/54/436429954.db2.gz LQHOXXXFYUAHIS-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCOC3)C3(CCC3)C2)cc1 ZINC000658319963 436430203 /nfs/dbraw/zinc/43/02/03/436430203.db2.gz KMUWLXKSCVFDMI-RTBURBONSA-N 2 1 314.473 3.057 20 0 DGADMP CC(C)(C)[NH+]1CCC(NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000658349014 436437709 /nfs/dbraw/zinc/43/77/09/436437709.db2.gz QSTYLBJKUJPPEW-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)[NH+]1CCC(NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000658349014 436437713 /nfs/dbraw/zinc/43/77/13/436437713.db2.gz QSTYLBJKUJPPEW-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343757 436442329 /nfs/dbraw/zinc/44/23/29/436442329.db2.gz DPZSJXBGHBLXBM-QGZVFWFLSA-N 2 1 320.452 3.436 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663343757 436442331 /nfs/dbraw/zinc/44/23/31/436442331.db2.gz DPZSJXBGHBLXBM-QGZVFWFLSA-N 2 1 320.452 3.436 20 0 DGADMP Cc1cc(CO)cc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC000663383402 436450091 /nfs/dbraw/zinc/45/00/91/436450091.db2.gz DVVKHNKCCVHUOR-UHFFFAOYSA-N 2 1 311.429 3.090 20 0 DGADMP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464164 436463189 /nfs/dbraw/zinc/46/31/89/436463189.db2.gz CXHOWTRPZBEYHO-VIQWUECVSA-N 2 1 306.494 3.190 20 0 DGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466401 436463919 /nfs/dbraw/zinc/46/39/19/436463919.db2.gz SKPRDBGGJQPEQF-DOTOQJQBSA-N 2 1 301.478 3.417 20 0 DGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466401 436463920 /nfs/dbraw/zinc/46/39/20/436463920.db2.gz SKPRDBGGJQPEQF-DOTOQJQBSA-N 2 1 301.478 3.417 20 0 DGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465986 436464148 /nfs/dbraw/zinc/46/41/48/436464148.db2.gz MPSMMXCIMBIKDC-APWZRJJASA-N 2 1 314.473 3.481 20 0 DGADMP CC(C)n1cc([C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468588 436465022 /nfs/dbraw/zinc/46/50/22/436465022.db2.gz MJKBSFKUNGABSK-RDJZCZTQSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663468588 436465026 /nfs/dbraw/zinc/46/50/26/436465026.db2.gz MJKBSFKUNGABSK-RDJZCZTQSA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468588 436465029 /nfs/dbraw/zinc/46/50/29/436465029.db2.gz MJKBSFKUNGABSK-RDJZCZTQSA-N 2 1 304.482 3.237 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCCC2 ZINC000663467709 436465461 /nfs/dbraw/zinc/46/54/61/436465461.db2.gz HIOUOVPMCNGCBU-GUDVDZBRSA-N 2 1 320.521 3.436 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000660008160 436577639 /nfs/dbraw/zinc/57/76/39/436577639.db2.gz UCGGVAWUOOESLH-QXAKKESOSA-N 2 1 308.510 3.266 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655352523 436532900 /nfs/dbraw/zinc/53/29/00/436532900.db2.gz MFZPCUGHRJBNPB-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010079 436579130 /nfs/dbraw/zinc/57/91/30/436579130.db2.gz FONMDLVXLLIUHM-ZFWWWQNUSA-N 2 1 308.853 3.265 20 0 DGADMP CCN(Cc1cn(C)cn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659868584 436551164 /nfs/dbraw/zinc/55/11/64/436551164.db2.gz PKCMUOGRQLNKJS-LPHOPBHVSA-N 2 1 312.461 3.078 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@@H+]1C ZINC000659983048 436571661 /nfs/dbraw/zinc/57/16/61/436571661.db2.gz CHBPYKGRCHIVNH-GXTWGEPZSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@H+]1C ZINC000659983048 436571665 /nfs/dbraw/zinc/57/16/65/436571665.db2.gz CHBPYKGRCHIVNH-GXTWGEPZSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983048 436571668 /nfs/dbraw/zinc/57/16/68/436571668.db2.gz CHBPYKGRCHIVNH-GXTWGEPZSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983048 436571670 /nfs/dbraw/zinc/57/16/70/436571670.db2.gz CHBPYKGRCHIVNH-GXTWGEPZSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2ccc(F)cc21 ZINC000664196313 436573187 /nfs/dbraw/zinc/57/31/87/436573187.db2.gz JDLIZCQAGCNNMF-AWEZNQCLSA-N 2 1 318.440 3.058 20 0 DGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2ccc(F)cc21 ZINC000664196313 436573188 /nfs/dbraw/zinc/57/31/88/436573188.db2.gz JDLIZCQAGCNNMF-AWEZNQCLSA-N 2 1 318.440 3.058 20 0 DGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655686530 436574683 /nfs/dbraw/zinc/57/46/83/436574683.db2.gz KEOQDMGUCHKLSK-VQTJNVASSA-N 2 1 316.489 3.269 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000659984272 436575252 /nfs/dbraw/zinc/57/52/52/436575252.db2.gz GWYIQIIJZINLJZ-UONOGXRCSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCc2nsc3ccccc32)CC[N@H+]1C ZINC000659984272 436575255 /nfs/dbraw/zinc/57/52/55/436575255.db2.gz GWYIQIIJZINLJZ-UONOGXRCSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984272 436575257 /nfs/dbraw/zinc/57/52/57/436575257.db2.gz GWYIQIIJZINLJZ-UONOGXRCSA-N 2 1 303.475 3.253 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCc2nsc3ccccc32)CC[NH+]1C ZINC000659984272 436575260 /nfs/dbraw/zinc/57/52/60/436575260.db2.gz GWYIQIIJZINLJZ-UONOGXRCSA-N 2 1 303.475 3.253 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSc2cccc(OC)c2)[C@H](C)C1 ZINC000660081869 436586111 /nfs/dbraw/zinc/58/61/11/436586111.db2.gz JUSNCRFPWHAWGV-CRAIPNDOSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSc2cccc(OC)c2)[C@H](C)C1 ZINC000660081869 436586112 /nfs/dbraw/zinc/58/61/12/436586112.db2.gz JUSNCRFPWHAWGV-CRAIPNDOSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSc2cccc(OC)c2)[C@H](C)C1 ZINC000660081869 436586113 /nfs/dbraw/zinc/58/61/13/436586113.db2.gz JUSNCRFPWHAWGV-CRAIPNDOSA-N 2 1 322.518 3.449 20 0 DGADMP c1ccc(COCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660116247 436589782 /nfs/dbraw/zinc/58/97/82/436589782.db2.gz XKJYYKVJYXDTHI-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660116247 436589784 /nfs/dbraw/zinc/58/97/84/436589784.db2.gz XKJYYKVJYXDTHI-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660116247 436589786 /nfs/dbraw/zinc/58/97/86/436589786.db2.gz XKJYYKVJYXDTHI-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)co1 ZINC000660127495 436593852 /nfs/dbraw/zinc/59/38/52/436593852.db2.gz NUTHXRVTDRGOEC-MRXNPFEDSA-N 2 1 310.401 3.306 20 0 DGADMP Cc1nc(CN2CCC[C@@H]2Cn2c(C)nc3ccccc32)co1 ZINC000660127495 436593854 /nfs/dbraw/zinc/59/38/54/436593854.db2.gz NUTHXRVTDRGOEC-MRXNPFEDSA-N 2 1 310.401 3.306 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194439 436601763 /nfs/dbraw/zinc/60/17/63/436601763.db2.gz JITOPPABOCNENU-MSOLQXFVSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000660194439 436601766 /nfs/dbraw/zinc/60/17/66/436601766.db2.gz JITOPPABOCNENU-MSOLQXFVSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189422 436602309 /nfs/dbraw/zinc/60/23/09/436602309.db2.gz ZYPTVCLKZLWZON-RTBURBONSA-N 2 1 322.468 3.348 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189422 436602312 /nfs/dbraw/zinc/60/23/12/436602312.db2.gz ZYPTVCLKZLWZON-RTBURBONSA-N 2 1 322.468 3.348 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)c1ccccc1 ZINC000660210998 436606649 /nfs/dbraw/zinc/60/66/49/436606649.db2.gz HHPBODDWJGGDLD-ZWKOTPCHSA-N 2 1 306.494 3.034 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000660224127 436608331 /nfs/dbraw/zinc/60/83/31/436608331.db2.gz IWIDPQZOBGATQT-APWZRJJASA-N 2 1 322.468 3.096 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000660224127 436608333 /nfs/dbraw/zinc/60/83/33/436608333.db2.gz IWIDPQZOBGATQT-APWZRJJASA-N 2 1 322.468 3.096 20 0 DGADMP CCc1nnc([C@H](C)[NH+]2CCC(CCC[NH+](CC)CC)CC2)[nH]1 ZINC000660243565 436611711 /nfs/dbraw/zinc/61/17/11/436611711.db2.gz IXQLQYJIMFWRAC-HNNXBMFYSA-N 2 1 321.513 3.262 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402860 303128985 /nfs/dbraw/zinc/12/89/85/303128985.db2.gz QVVNLCCOHVEULT-MAUKXSAKSA-N 2 1 313.420 3.338 20 0 DGADMP CCOCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000377302435 313037960 /nfs/dbraw/zinc/03/79/60/313037960.db2.gz AEIXKFOPTHBVAF-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727696 313066787 /nfs/dbraw/zinc/06/67/87/313066787.db2.gz HRVGZBXVGPORHS-ICSRJNTNSA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727696 313066790 /nfs/dbraw/zinc/06/67/90/313066790.db2.gz HRVGZBXVGPORHS-ICSRJNTNSA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727696 313066793 /nfs/dbraw/zinc/06/67/93/313066793.db2.gz HRVGZBXVGPORHS-ICSRJNTNSA-N 2 1 314.473 3.331 20 0 DGADMP COc1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)cn1 ZINC000528848086 313097541 /nfs/dbraw/zinc/09/75/41/313097541.db2.gz AFXFLHLWYVLZOP-GOSISDBHSA-N 2 1 303.450 3.007 20 0 DGADMP COCCC1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000530206641 313339389 /nfs/dbraw/zinc/33/93/89/313339389.db2.gz BAIJKAKDCYXCRL-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP FC(F)(F)c1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000530232796 313343671 /nfs/dbraw/zinc/34/36/71/313343671.db2.gz BCQHERBBUDTHGI-ZDUSSCGKSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC000530249757 313348320 /nfs/dbraw/zinc/34/83/20/313348320.db2.gz YUAOHXJSUDAJNP-OLZOCXBDSA-N 2 1 312.379 3.452 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000530469765 313374194 /nfs/dbraw/zinc/37/41/94/313374194.db2.gz ZFHMEGZGSUTNBB-AZUAARDMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000530513163 313378909 /nfs/dbraw/zinc/37/89/09/313378909.db2.gz MKIIXSKHRBNANI-GFCCVEGCSA-N 2 1 311.351 3.202 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931906 313502453 /nfs/dbraw/zinc/50/24/53/313502453.db2.gz GDFBEUYJNAUDBG-XHSDSOJGSA-N 2 1 309.523 3.061 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187491 313525067 /nfs/dbraw/zinc/52/50/67/313525067.db2.gz BSUCBADDKVMLBZ-IRXDYDNUSA-N 2 1 323.550 3.451 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000539076883 313898594 /nfs/dbraw/zinc/89/85/94/313898594.db2.gz CNMFQDBJZKIHMF-CABCVRRESA-N 2 1 301.434 3.495 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000541915145 314048759 /nfs/dbraw/zinc/04/87/59/314048759.db2.gz ZJXDQIXCMFIYPS-VQTJNVASSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000542485105 314079326 /nfs/dbraw/zinc/07/93/26/314079326.db2.gz IYQMBKFLWORUDF-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000542671774 314090316 /nfs/dbraw/zinc/09/03/16/314090316.db2.gz VQUJBEXWSWFTLQ-IBGZPJMESA-N 2 1 319.493 3.046 20 0 DGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000543407606 314132318 /nfs/dbraw/zinc/13/23/18/314132318.db2.gz VWKQVYREGZDBRH-CVEARBPZSA-N 2 1 321.534 3.205 20 0 DGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000543407608 314132399 /nfs/dbraw/zinc/13/23/99/314132399.db2.gz VWKQVYREGZDBRH-HZPDHXFCSA-N 2 1 321.534 3.205 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057520 314170645 /nfs/dbraw/zinc/17/06/45/314170645.db2.gz NCIJMLMCGUBWDN-GJZGRUSLSA-N 2 1 310.457 3.333 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057520 314170647 /nfs/dbraw/zinc/17/06/47/314170647.db2.gz NCIJMLMCGUBWDN-GJZGRUSLSA-N 2 1 310.457 3.333 20 0 DGADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000562578741 315032516 /nfs/dbraw/zinc/03/25/16/315032516.db2.gz VQBGHPAQMBQAFN-UHZRXMQZSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1nc(C(F)(F)F)cs1 ZINC000563653831 315130033 /nfs/dbraw/zinc/13/00/33/315130033.db2.gz BLRVUTPBNSMULW-SFYZADRCSA-N 2 1 316.352 3.093 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000563862531 315142688 /nfs/dbraw/zinc/14/26/88/315142688.db2.gz OWZMVRHIZIXYKZ-UHFFFAOYSA-N 2 1 313.445 3.207 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccncc1C ZINC000564079330 315156289 /nfs/dbraw/zinc/15/62/89/315156289.db2.gz CCJZLJCIDYXOLG-UHFFFAOYSA-N 2 1 300.450 3.104 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccncc1C ZINC000564079330 315156293 /nfs/dbraw/zinc/15/62/93/315156293.db2.gz CCJZLJCIDYXOLG-UHFFFAOYSA-N 2 1 300.450 3.104 20 0 DGADMP Cc1ccc(C)n1C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000565166139 315236598 /nfs/dbraw/zinc/23/65/98/315236598.db2.gz UONBGYISNCAQBM-UHFFFAOYSA-N 2 1 300.450 3.108 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000565227533 315244744 /nfs/dbraw/zinc/24/47/44/315244744.db2.gz ZGGXAHZTUXRLIN-LLVKDONJSA-N 2 1 320.234 3.416 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000565651934 315277218 /nfs/dbraw/zinc/27/72/18/315277218.db2.gz VFOHDEQYWBRLQJ-SFHVURJKSA-N 2 1 302.462 3.367 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972981 315387367 /nfs/dbraw/zinc/38/73/67/315387367.db2.gz JQKBKGOIWFOUAX-JYJNAYRXSA-N 2 1 306.400 3.427 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972981 315387369 /nfs/dbraw/zinc/38/73/69/315387369.db2.gz JQKBKGOIWFOUAX-JYJNAYRXSA-N 2 1 306.400 3.427 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000568278866 315499521 /nfs/dbraw/zinc/49/95/21/315499521.db2.gz RZVYIPQGLSHZHV-UHFFFAOYSA-N 2 1 311.433 3.143 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3(C)CC3)CC2)cs1 ZINC000571259765 315708009 /nfs/dbraw/zinc/70/80/09/315708009.db2.gz LCUOCNOAAUTJBV-UHFFFAOYSA-N 2 1 307.507 3.307 20 0 DGADMP CCC[NH+]1CCC(NCc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000571647026 315736048 /nfs/dbraw/zinc/73/60/48/315736048.db2.gz HYCIREIJVBRTDT-UHFFFAOYSA-N 2 1 314.477 3.422 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](CCC(=O)OC)CC2CCCCC2)CC1 ZINC000574812852 316002714 /nfs/dbraw/zinc/00/27/14/316002714.db2.gz JLYKNVZJQRXDNY-GOSISDBHSA-N 2 1 324.509 3.353 20 0 DGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000575999528 316084497 /nfs/dbraw/zinc/08/44/97/316084497.db2.gz IYAYAWONNPUGCE-INIZCTEOSA-N 2 1 315.461 3.314 20 0 DGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000575999528 316084500 /nfs/dbraw/zinc/08/45/00/316084500.db2.gz IYAYAWONNPUGCE-INIZCTEOSA-N 2 1 315.461 3.314 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000576238159 316109143 /nfs/dbraw/zinc/10/91/43/316109143.db2.gz WLUXXQOAEGCBKC-ZDUSSCGKSA-N 2 1 305.372 3.120 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000576238159 316109148 /nfs/dbraw/zinc/10/91/48/316109148.db2.gz WLUXXQOAEGCBKC-ZDUSSCGKSA-N 2 1 305.372 3.120 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c(C)c1OC ZINC000576595383 316147954 /nfs/dbraw/zinc/14/79/54/316147954.db2.gz KGNYHQRKMLCDBU-AWEZNQCLSA-N 2 1 317.433 3.029 20 0 DGADMP OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000576695386 316157106 /nfs/dbraw/zinc/15/71/06/316157106.db2.gz NIWQLJODVHDOQU-OTWHNJEPSA-N 2 1 302.462 3.011 20 0 DGADMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000578132721 316306048 /nfs/dbraw/zinc/30/60/48/316306048.db2.gz UIGZAKWZIGUVQU-ROUUACIJSA-N 2 1 316.489 3.360 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cn(C)nc1C(C)(C)C ZINC000180439685 323229009 /nfs/dbraw/zinc/22/90/09/323229009.db2.gz XXZQQPCWYWBKKV-INIZCTEOSA-N 2 1 306.498 3.024 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nccn1C ZINC000182456970 323299440 /nfs/dbraw/zinc/29/94/40/323299440.db2.gz HWKFMTXSYWGBIL-BBWFWOEESA-N 2 1 306.498 3.219 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nccn1C ZINC000182456993 323299974 /nfs/dbraw/zinc/29/99/74/323299974.db2.gz HWKFMTXSYWGBIL-IXDOHACOSA-N 2 1 306.498 3.219 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)[C@H](C)C1 ZINC000183959010 323352153 /nfs/dbraw/zinc/35/21/53/323352153.db2.gz QTSHPFBPDXLYAO-AEFFLSMTSA-N 2 1 316.489 3.437 20 0 DGADMP C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682037 323392964 /nfs/dbraw/zinc/39/29/64/323392964.db2.gz QUQOWRCBMRMTTQ-KGLIPLIRSA-N 2 1 322.415 3.198 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000580498988 324003912 /nfs/dbraw/zinc/00/39/12/324003912.db2.gz IYFKSFLEQQHVTC-AWEZNQCLSA-N 2 1 301.409 3.194 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[NH+](C)C ZINC000580617906 324018523 /nfs/dbraw/zinc/01/85/23/324018523.db2.gz WGANJWYZXWJNCB-LNLFQRSKSA-N 2 1 320.525 3.402 20 0 DGADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]Cc2cnccn2)c1 ZINC000581771641 324155018 /nfs/dbraw/zinc/15/50/18/324155018.db2.gz AFRZMHXNUHWZHG-UHFFFAOYSA-N 2 1 310.445 3.142 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000581938026 324170223 /nfs/dbraw/zinc/17/02/23/324170223.db2.gz XKWDCEXPVMUMDV-IRXDYDNUSA-N 2 1 303.450 3.153 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000581938047 324170394 /nfs/dbraw/zinc/17/03/94/324170394.db2.gz ZLTILXKHBHLXKU-BBRMVZONSA-N 2 1 323.868 3.179 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000581938024 324170505 /nfs/dbraw/zinc/17/05/05/324170505.db2.gz XKWDCEXPVMUMDV-DLBZAZTESA-N 2 1 303.450 3.153 20 0 DGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932842 324292141 /nfs/dbraw/zinc/29/21/41/324292141.db2.gz VHNCOTKDAHLAQE-BBRMVZONSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932842 324292143 /nfs/dbraw/zinc/29/21/43/324292143.db2.gz VHNCOTKDAHLAQE-BBRMVZONSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932842 324292148 /nfs/dbraw/zinc/29/21/48/324292148.db2.gz VHNCOTKDAHLAQE-BBRMVZONSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932842 324292150 /nfs/dbraw/zinc/29/21/50/324292150.db2.gz VHNCOTKDAHLAQE-BBRMVZONSA-N 2 1 312.404 3.103 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000583011655 324302440 /nfs/dbraw/zinc/30/24/40/324302440.db2.gz BBUXHXTUQONEOK-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP Cc1nnsc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000583087093 324311473 /nfs/dbraw/zinc/31/14/73/324311473.db2.gz HOPTWGDMGKNQOO-AWEZNQCLSA-N 2 1 322.522 3.323 20 0 DGADMP Cc1nnsc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000583087093 324311477 /nfs/dbraw/zinc/31/14/77/324311477.db2.gz HOPTWGDMGKNQOO-AWEZNQCLSA-N 2 1 322.522 3.323 20 0 DGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000583137974 324317443 /nfs/dbraw/zinc/31/74/43/324317443.db2.gz YQPAQZSDCGIEBR-ZWKOTPCHSA-N 2 1 316.493 3.068 20 0 DGADMP COCC[N@@H+](CCCc1cncn1C)[C@H](C)c1ccccc1 ZINC000583211697 324326977 /nfs/dbraw/zinc/32/69/77/324326977.db2.gz DDPUAMUAZGTRAX-MRXNPFEDSA-N 2 1 301.434 3.062 20 0 DGADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000583211697 324326982 /nfs/dbraw/zinc/32/69/82/324326982.db2.gz DDPUAMUAZGTRAX-MRXNPFEDSA-N 2 1 301.434 3.062 20 0 DGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000583211697 324326985 /nfs/dbraw/zinc/32/69/85/324326985.db2.gz DDPUAMUAZGTRAX-MRXNPFEDSA-N 2 1 301.434 3.062 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000584485618 337349666 /nfs/dbraw/zinc/34/96/66/337349666.db2.gz NVLIVWQNJMQCKR-HOJAQTOUSA-N 2 1 321.553 3.494 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)cs1 ZINC000163630655 519616189 /nfs/dbraw/zinc/61/61/89/519616189.db2.gz IYFQYMBTTMABJB-UHFFFAOYSA-N 2 1 305.285 3.331 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)cs1 ZINC000163630655 519616194 /nfs/dbraw/zinc/61/61/94/519616194.db2.gz IYFQYMBTTMABJB-UHFFFAOYSA-N 2 1 305.285 3.331 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000665266971 500951833 /nfs/dbraw/zinc/95/18/33/500951833.db2.gz MTGGPDNUKWWOQU-JOYOIKCWSA-N 2 1 317.296 3.297 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000415066926 533750670 /nfs/dbraw/zinc/75/06/70/533750670.db2.gz OPOUDGHZFCVEFC-DYVFJYSZSA-N 2 1 308.441 3.120 20 0 DGADMP Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000435061916 533919149 /nfs/dbraw/zinc/91/91/49/533919149.db2.gz VKGINKOCOGCVII-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000415130120 534037857 /nfs/dbraw/zinc/03/78/57/534037857.db2.gz QLLRDNYVAHTQJM-AEFFLSMTSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000415130120 534037872 /nfs/dbraw/zinc/03/78/72/534037872.db2.gz QLLRDNYVAHTQJM-AEFFLSMTSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430924305 534129434 /nfs/dbraw/zinc/12/94/34/534129434.db2.gz ACXCFXJSAPZYSI-HZPDHXFCSA-N 2 1 323.440 3.281 20 0 DGADMP c1ccc(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435619889 534488274 /nfs/dbraw/zinc/48/82/74/534488274.db2.gz XKEBRFPVNFCHHC-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP Fc1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)c1 ZINC000415051550 534513257 /nfs/dbraw/zinc/51/32/57/534513257.db2.gz ZWOOGTJUJCXFIA-HNNXBMFYSA-N 2 1 320.433 3.022 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000442919712 534653990 /nfs/dbraw/zinc/65/39/90/534653990.db2.gz MQELNUKUVLYEKG-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP Cc1[nH+]c2ccccc2c(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C ZINC000302102843 534671475 /nfs/dbraw/zinc/67/14/75/534671475.db2.gz VVKVMDRXSIQJTR-HZPDHXFCSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1[nH+]c2ccccc2c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1C ZINC000302111725 534671710 /nfs/dbraw/zinc/67/17/10/534671710.db2.gz ZZBNMQBTJKJBTA-MRXNPFEDSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1[nH+]c2ccccc2c(NC[C@@H]2C[N@H+](C3CC3)CCO2)c1C ZINC000302111725 534671716 /nfs/dbraw/zinc/67/17/16/534671716.db2.gz ZZBNMQBTJKJBTA-MRXNPFEDSA-N 2 1 311.429 3.127 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CCCC1 ZINC000415073601 534676378 /nfs/dbraw/zinc/67/63/78/534676378.db2.gz ZOYAJZWOEUHAEK-OAHLLOKOSA-N 2 1 324.852 3.108 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157780004 523086568 /nfs/dbraw/zinc/08/65/68/523086568.db2.gz QCHSGJSMSBCSGH-IRXDYDNUSA-N 2 1 306.498 3.152 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157780004 523086577 /nfs/dbraw/zinc/08/65/77/523086577.db2.gz QCHSGJSMSBCSGH-IRXDYDNUSA-N 2 1 306.498 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@@H+]1C ZINC000156100855 525270663 /nfs/dbraw/zinc/27/06/63/525270663.db2.gz SWMCHSOBBPUDEN-AEFFLSMTSA-N 2 1 316.493 3.034 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@H+]1C ZINC000156100855 525270670 /nfs/dbraw/zinc/27/06/70/525270670.db2.gz SWMCHSOBBPUDEN-AEFFLSMTSA-N 2 1 316.493 3.034 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCOC1 ZINC000157628511 525461143 /nfs/dbraw/zinc/46/11/43/525461143.db2.gz ZMAIRDWOFUQQJX-ABSDTBQOSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415039580 526879301 /nfs/dbraw/zinc/87/93/01/526879301.db2.gz JFAWVPGUYACXDN-ZFWWWQNUSA-N 2 1 307.507 3.405 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415039580 526879309 /nfs/dbraw/zinc/87/93/09/526879309.db2.gz JFAWVPGUYACXDN-ZFWWWQNUSA-N 2 1 307.507 3.405 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCC2 ZINC000422779089 527953177 /nfs/dbraw/zinc/95/31/77/527953177.db2.gz IMRHZIGFWLTZQB-CADBVGFASA-N 2 1 314.473 3.417 20 0 DGADMP CC(C)c1ccc(CC[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000433027889 528088302 /nfs/dbraw/zinc/08/83/02/528088302.db2.gz NHYWBIFKCHDVMD-SFHVURJKSA-N 2 1 318.505 3.443 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]c2ccc(F)cc2n1C ZINC000431032310 528113502 /nfs/dbraw/zinc/11/35/02/528113502.db2.gz JADODQQFANHPHS-CYBMUJFWSA-N 2 1 306.429 3.057 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415054015 528149992 /nfs/dbraw/zinc/14/99/92/528149992.db2.gz PJIKQURZNIDSBT-HKUYNNGSSA-N 2 1 302.462 3.438 20 0 DGADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCc2ccccc21 ZINC000431084315 528153523 /nfs/dbraw/zinc/15/35/23/528153523.db2.gz GFBYUGOGJVDIEI-OAHLLOKOSA-N 2 1 314.433 3.163 20 0 DGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCc2ccccc21 ZINC000431084315 528153529 /nfs/dbraw/zinc/15/35/29/528153529.db2.gz GFBYUGOGJVDIEI-OAHLLOKOSA-N 2 1 314.433 3.163 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3)C2)CC1 ZINC000299469027 528250612 /nfs/dbraw/zinc/25/06/12/528250612.db2.gz FYJVUWGMYCIHIG-ICSRJNTNSA-N 2 1 316.489 3.164 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccccc3)C2)CC1 ZINC000299469027 528250617 /nfs/dbraw/zinc/25/06/17/528250617.db2.gz FYJVUWGMYCIHIG-ICSRJNTNSA-N 2 1 316.489 3.164 20 0 DGADMP CC1CCN([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000415086944 528262027 /nfs/dbraw/zinc/26/20/27/528262027.db2.gz SHVTVEMCEQMMLL-SJORKVTESA-N 2 1 321.534 3.253 20 0 DGADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000433132492 528445338 /nfs/dbraw/zinc/44/53/38/528445338.db2.gz BYHYSOWNBUQRRM-MAUKXSAKSA-N 2 1 317.477 3.088 20 0 DGADMP CCC(C)(C)CC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435699270 528500843 /nfs/dbraw/zinc/50/08/43/528500843.db2.gz ZIPPKKMJUHWFAR-INIZCTEOSA-N 2 1 318.509 3.191 20 0 DGADMP CCCc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432350291 528635924 /nfs/dbraw/zinc/63/59/24/528635924.db2.gz YEPAYPJUTGFVPV-KRWDZBQOSA-N 2 1 304.478 3.230 20 0 DGADMP CCCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435390756 528660694 /nfs/dbraw/zinc/66/06/94/528660694.db2.gz QCZZGDGUDKTLBR-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000415130989 528663040 /nfs/dbraw/zinc/66/30/40/528663040.db2.gz RPWPUOFISCSMIC-WBVHZDCISA-N 2 1 320.477 3.291 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000430584290 528860338 /nfs/dbraw/zinc/86/03/38/528860338.db2.gz OVBFSSHPQSXZRL-OAHLLOKOSA-N 2 1 318.383 3.437 20 0 DGADMP CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435379328 528868970 /nfs/dbraw/zinc/86/89/70/528868970.db2.gz IQCVPGJGERDPKM-OAHLLOKOSA-N 2 1 316.474 3.169 20 0 DGADMP CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435379328 528868977 /nfs/dbraw/zinc/86/89/77/528868977.db2.gz IQCVPGJGERDPKM-OAHLLOKOSA-N 2 1 316.474 3.169 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000294931659 529001133 /nfs/dbraw/zinc/00/11/33/529001133.db2.gz BOJCZICTISRHEC-UHFFFAOYSA-N 2 1 301.356 3.063 20 0 DGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000442876272 529165315 /nfs/dbraw/zinc/16/53/15/529165315.db2.gz PKMLPXZVSAGTIK-QGZVFWFLSA-N 2 1 323.912 3.407 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000449628992 536552812 /nfs/dbraw/zinc/55/28/12/536552812.db2.gz JUVOCAVIAMVMNW-GJJHYRHESA-N 2 1 316.489 3.300 20 0 DGADMP CC[C@](C)([NH2+]C[C@H](C[NH3+])c1ccc(F)cc1)c1nccs1 ZINC000424303127 529371243 /nfs/dbraw/zinc/37/12/43/529371243.db2.gz NJJCOAIHWAJJMM-BBRMVZONSA-N 2 1 307.438 3.240 20 0 DGADMP CC[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000444598067 529374005 /nfs/dbraw/zinc/37/40/05/529374005.db2.gz PFAKTDHPTLKPKO-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444598067 529374007 /nfs/dbraw/zinc/37/40/07/529374007.db2.gz PFAKTDHPTLKPKO-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444598067 529374009 /nfs/dbraw/zinc/37/40/09/529374009.db2.gz PFAKTDHPTLKPKO-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000472295932 535550592 /nfs/dbraw/zinc/55/05/92/535550592.db2.gz SBBZBQOQHSSWNT-QUCCMNQESA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1OC ZINC000493602322 535581234 /nfs/dbraw/zinc/58/12/34/535581234.db2.gz MYLPJTJFISSDKQ-DLBZAZTESA-N 2 1 320.477 3.391 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCc3ccccc32)s1 ZINC000449378975 536056765 /nfs/dbraw/zinc/05/67/65/536056765.db2.gz RXSXDTKYIZJAKW-HNNXBMFYSA-N 2 1 315.486 3.414 20 0 DGADMP COCC[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000088505038 545810494 /nfs/dbraw/zinc/81/04/94/545810494.db2.gz PIVUDLWBVKGVTI-QGZVFWFLSA-N 2 1 304.478 3.255 20 0 DGADMP CCc1nn(C)cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000092375125 545846449 /nfs/dbraw/zinc/84/64/49/545846449.db2.gz UAOBYPDLEQDRCS-UHFFFAOYSA-N 2 1 314.477 3.113 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000155500266 546029014 /nfs/dbraw/zinc/02/90/14/546029014.db2.gz GWYVHTKNDRAYQD-UHFFFAOYSA-N 2 1 315.461 3.142 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000161601821 546071340 /nfs/dbraw/zinc/07/13/40/546071340.db2.gz CCAGVRSWPQUMFK-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000164577522 546088937 /nfs/dbraw/zinc/08/89/37/546088937.db2.gz YNTAQOUUWXLMDT-HNNXBMFYSA-N 2 1 315.461 3.129 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166548527 546095531 /nfs/dbraw/zinc/09/55/31/546095531.db2.gz IYSQXOXGPWCIAX-LRDDRELGSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166548527 546095536 /nfs/dbraw/zinc/09/55/36/546095536.db2.gz IYSQXOXGPWCIAX-LRDDRELGSA-N 2 1 303.837 3.447 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166531640 546095626 /nfs/dbraw/zinc/09/56/26/546095626.db2.gz FDMXEZRHKXUCRT-RBUKOAKNSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166605070 546096379 /nfs/dbraw/zinc/09/63/79/546096379.db2.gz PWEUYLGJUXEELX-QXAKKESOSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000166748683 546096636 /nfs/dbraw/zinc/09/66/36/546096636.db2.gz GIJCKMNKJKEOAA-RYQLBKOJSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000237518925 546285411 /nfs/dbraw/zinc/28/54/11/546285411.db2.gz OVAZZXIWVGFZME-AWEZNQCLSA-N 2 1 303.450 3.127 20 0 DGADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000245929981 546300725 /nfs/dbraw/zinc/30/07/25/546300725.db2.gz UQAQWUOCSXSDPX-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245929981 546300727 /nfs/dbraw/zinc/30/07/27/546300727.db2.gz UQAQWUOCSXSDPX-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[NH+](CCCCC[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245929981 546300730 /nfs/dbraw/zinc/30/07/30/546300730.db2.gz UQAQWUOCSXSDPX-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279583222 546375937 /nfs/dbraw/zinc/37/59/37/546375937.db2.gz USSSXSDELYMQDP-MTFMMBMASA-N 2 1 316.489 3.444 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292893118 546419165 /nfs/dbraw/zinc/41/91/65/546419165.db2.gz GABZCIXXCONOCO-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292893118 546419166 /nfs/dbraw/zinc/41/91/66/546419166.db2.gz GABZCIXXCONOCO-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292893118 546419169 /nfs/dbraw/zinc/41/91/69/546419169.db2.gz GABZCIXXCONOCO-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292893118 546419170 /nfs/dbraw/zinc/41/91/70/546419170.db2.gz GABZCIXXCONOCO-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1-c1ccccc1 ZINC000296532594 546428376 /nfs/dbraw/zinc/42/83/76/546428376.db2.gz QMNYBQGLTJLJBG-DUZACMNTSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnn1-c1ccccc1 ZINC000296532594 546428379 /nfs/dbraw/zinc/42/83/79/546428379.db2.gz QMNYBQGLTJLJBG-DUZACMNTSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1-c1ccccc1 ZINC000296532597 546428419 /nfs/dbraw/zinc/42/84/19/546428419.db2.gz QMNYBQGLTJLJBG-UNPWZGGWSA-N 2 1 310.445 3.148 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnn1-c1ccccc1 ZINC000296532597 546428422 /nfs/dbraw/zinc/42/84/22/546428422.db2.gz QMNYBQGLTJLJBG-UNPWZGGWSA-N 2 1 310.445 3.148 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309651570 546450840 /nfs/dbraw/zinc/45/08/40/546450840.db2.gz AGULSDGLWDGVNV-UFYCRDLUSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000309887788 546451785 /nfs/dbraw/zinc/45/17/85/546451785.db2.gz AEBXVCNTVZMBAC-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000338299570 546526174 /nfs/dbraw/zinc/52/61/74/546526174.db2.gz XBWNWQVAPSNIKX-UHFFFAOYSA-N 2 1 322.518 3.344 20 0 DGADMP Clc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068536 546532966 /nfs/dbraw/zinc/53/29/66/546532966.db2.gz QZHAKDHTYXMLOF-RYRKJORJSA-N 2 1 319.880 3.135 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC2CCCC2)n1 ZINC000339073908 546533165 /nfs/dbraw/zinc/53/31/65/546533165.db2.gz GURBHRCZXPKWRY-SJORKVTESA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCCC2)n1 ZINC000339073908 546533168 /nfs/dbraw/zinc/53/31/68/546533168.db2.gz GURBHRCZXPKWRY-SJORKVTESA-N 2 1 315.461 3.119 20 0 DGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)c(C[NH+](C)C)c1 ZINC000339279981 546537922 /nfs/dbraw/zinc/53/79/22/546537922.db2.gz FFYTVNZAUPVACK-MRXNPFEDSA-N 2 1 317.477 3.260 20 0 DGADMP c1ccc(COCCC2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000347218909 546583433 /nfs/dbraw/zinc/58/34/33/546583433.db2.gz BWMUOGFNCVXJFN-RBUKOAKNSA-N 2 1 314.473 3.342 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000348102810 546586101 /nfs/dbraw/zinc/58/61/01/546586101.db2.gz AASCHIIUADUDQH-HSALFYBXSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000348102810 546586105 /nfs/dbraw/zinc/58/61/05/546586105.db2.gz AASCHIIUADUDQH-HSALFYBXSA-N 2 1 316.489 3.474 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)oc1C ZINC000348122752 546586234 /nfs/dbraw/zinc/58/62/34/546586234.db2.gz UFAVCOXFNHPONV-MSOLQXFVSA-N 2 1 317.477 3.282 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3scnc3C3CC3)C2)CC1 ZINC000349189490 546599266 /nfs/dbraw/zinc/59/92/66/546599266.db2.gz LNYLHPXNVNWIGQ-OAHLLOKOSA-N 2 1 305.491 3.184 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239927 546698429 /nfs/dbraw/zinc/69/84/29/546698429.db2.gz UGRNTFBLUSBXSB-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358708903 546705785 /nfs/dbraw/zinc/70/57/85/546705785.db2.gz CQCBFYGMCUGFEG-NLWGTHIKSA-N 2 1 317.521 3.359 20 0 DGADMP CCc1cc(N2CCC(C[NH+]3CCCCC3)CC2)nc(C)[nH+]1 ZINC000359733837 546711173 /nfs/dbraw/zinc/71/11/73/546711173.db2.gz XSMFZLSPWFFFRL-UHFFFAOYSA-N 2 1 302.466 3.050 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383922357 546741682 /nfs/dbraw/zinc/74/16/82/546741682.db2.gz RCNJTDDHZIEIBQ-LAUBAEHRSA-N 2 1 324.468 3.179 20 0 DGADMP Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000383757131 546742114 /nfs/dbraw/zinc/74/21/14/546742114.db2.gz DCNKOILCZFMLLY-HMXCVIKNSA-N 2 1 322.452 3.392 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390802139 546755368 /nfs/dbraw/zinc/75/53/68/546755368.db2.gz QKIGENPCFYYFIJ-AZUAARDMSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390774491 546756134 /nfs/dbraw/zinc/75/61/34/546756134.db2.gz LZNGHPACEFZQDA-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000409447413 546769920 /nfs/dbraw/zinc/76/99/20/546769920.db2.gz LZNJJEBDTMGKIC-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000409447413 546769922 /nfs/dbraw/zinc/76/99/22/546769922.db2.gz LZNJJEBDTMGKIC-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000409447413 546769924 /nfs/dbraw/zinc/76/99/24/546769924.db2.gz LZNJJEBDTMGKIC-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414934693 546791043 /nfs/dbraw/zinc/79/10/43/546791043.db2.gz YCWBNFIOKKJVRA-KBPBESRZSA-N 2 1 305.422 3.309 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000414933146 546791583 /nfs/dbraw/zinc/79/15/83/546791583.db2.gz WSJXEJZZRPTEIH-DTWKUNHWSA-N 2 1 319.193 3.087 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378998 546860081 /nfs/dbraw/zinc/86/00/81/546860081.db2.gz ZWZOSNQYJZWRLE-FCFHUKJJSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378998 546860084 /nfs/dbraw/zinc/86/00/84/546860084.db2.gz ZWZOSNQYJZWRLE-FCFHUKJJSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378998 546860089 /nfs/dbraw/zinc/86/00/89/546860089.db2.gz ZWZOSNQYJZWRLE-FCFHUKJJSA-N 2 1 313.489 3.037 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000453407106 546860958 /nfs/dbraw/zinc/86/09/58/546860958.db2.gz DGHNFMKZANCZSI-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000453407106 546860962 /nfs/dbraw/zinc/86/09/62/546860962.db2.gz DGHNFMKZANCZSI-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709075 547282834 /nfs/dbraw/zinc/28/28/34/547282834.db2.gz SKGHHZGESZENET-QAPCUYQASA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709075 547282837 /nfs/dbraw/zinc/28/28/37/547282837.db2.gz SKGHHZGESZENET-QAPCUYQASA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667709075 547282840 /nfs/dbraw/zinc/28/28/40/547282840.db2.gz SKGHHZGESZENET-QAPCUYQASA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667709075 547282845 /nfs/dbraw/zinc/28/28/45/547282845.db2.gz SKGHHZGESZENET-QAPCUYQASA-N 2 1 320.502 3.343 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667792046 547303107 /nfs/dbraw/zinc/30/31/07/547303107.db2.gz VXBKJBZFZUTVSU-VQTJNVASSA-N 2 1 314.473 3.117 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000668063250 547372365 /nfs/dbraw/zinc/37/23/65/547372365.db2.gz IEKATDPVMHUUQW-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000668063250 547372367 /nfs/dbraw/zinc/37/23/67/547372367.db2.gz IEKATDPVMHUUQW-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1c[nH+]c(C)n1C ZINC000668080684 547376943 /nfs/dbraw/zinc/37/69/43/547376943.db2.gz JCEKICNSUDYGME-INIZCTEOSA-N 2 1 307.825 3.201 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000668100672 547383626 /nfs/dbraw/zinc/38/36/26/547383626.db2.gz URIRBJYZZIORDX-KRWDZBQOSA-N 2 1 320.477 3.018 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000668100672 547383629 /nfs/dbraw/zinc/38/36/29/547383629.db2.gz URIRBJYZZIORDX-KRWDZBQOSA-N 2 1 320.477 3.018 20 0 DGADMP Cc1ccccc1CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668202743 547414029 /nfs/dbraw/zinc/41/40/29/547414029.db2.gz KTAJMFYPJIPGAF-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(C)(C)C ZINC000668489969 547466642 /nfs/dbraw/zinc/46/66/42/547466642.db2.gz OPGDVMYDMJREFY-MAUKXSAKSA-N 2 1 304.478 3.025 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668595875 547488256 /nfs/dbraw/zinc/48/82/56/547488256.db2.gz BMHIHBRGPXMXDB-QUCCMNQESA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668595875 547488259 /nfs/dbraw/zinc/48/82/59/547488259.db2.gz BMHIHBRGPXMXDB-QUCCMNQESA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668595875 547488265 /nfs/dbraw/zinc/48/82/65/547488265.db2.gz BMHIHBRGPXMXDB-QUCCMNQESA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668595875 547488270 /nfs/dbraw/zinc/48/82/70/547488270.db2.gz BMHIHBRGPXMXDB-QUCCMNQESA-N 2 1 316.489 3.113 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668595873 547488688 /nfs/dbraw/zinc/48/86/88/547488688.db2.gz BMHIHBRGPXMXDB-AZUAARDMSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668595873 547488691 /nfs/dbraw/zinc/48/86/91/547488691.db2.gz BMHIHBRGPXMXDB-AZUAARDMSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668595873 547488695 /nfs/dbraw/zinc/48/86/95/547488695.db2.gz BMHIHBRGPXMXDB-AZUAARDMSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668595873 547488698 /nfs/dbraw/zinc/48/86/98/547488698.db2.gz BMHIHBRGPXMXDB-AZUAARDMSA-N 2 1 316.489 3.113 20 0 DGADMP CCC[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740334 547526040 /nfs/dbraw/zinc/52/60/40/547526040.db2.gz TZTMOXJBTUTAJZ-UYAOXDASSA-N 2 1 316.489 3.101 20 0 DGADMP Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785847 547540870 /nfs/dbraw/zinc/54/08/70/547540870.db2.gz ZCYRTAZOXMWBSN-INIZCTEOSA-N 2 1 316.445 3.284 20 0 DGADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669709339 547677141 /nfs/dbraw/zinc/67/71/41/547677141.db2.gz UCAHRLLIYNJANC-JAHBZWGTSA-N 2 1 310.363 3.260 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)(C)C ZINC000670266760 547741189 /nfs/dbraw/zinc/74/11/89/547741189.db2.gz XSRHXMLFPWQSEN-KRWDZBQOSA-N 2 1 317.521 3.206 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496483 548226215 /nfs/dbraw/zinc/22/62/15/548226215.db2.gz XZNPEIPEYIYWIX-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496483 548226220 /nfs/dbraw/zinc/22/62/20/548226220.db2.gz XZNPEIPEYIYWIX-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496483 548226223 /nfs/dbraw/zinc/22/62/23/548226223.db2.gz XZNPEIPEYIYWIX-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000675496483 548226227 /nfs/dbraw/zinc/22/62/27/548226227.db2.gz XZNPEIPEYIYWIX-RBUKOAKNSA-N 2 1 302.462 3.324 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675750772 548264522 /nfs/dbraw/zinc/26/45/22/548264522.db2.gz SFGHVMRDYYRXRT-FGTMMUONSA-N 3 1 309.542 3.064 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1F ZINC000675881440 548283310 /nfs/dbraw/zinc/28/33/10/548283310.db2.gz LGJLQELOMYPLCD-YJBOKZPZSA-N 2 1 320.452 3.428 20 0 DGADMP CC(C)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000675881422 548283449 /nfs/dbraw/zinc/28/34/49/548283449.db2.gz LCMDPOMLQHJSQS-TVPLGVNVSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](C)c1ccccc1 ZINC000675881939 548283480 /nfs/dbraw/zinc/28/34/80/548283480.db2.gz NRKIBZXRXNJGSH-UWVAXJGDSA-N 2 1 316.489 3.412 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882660 548284598 /nfs/dbraw/zinc/28/45/98/548284598.db2.gz UDRSXRWPBNATRZ-XFQXTVEOSA-N 2 1 314.473 3.153 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882658 548284746 /nfs/dbraw/zinc/28/47/46/548284746.db2.gz UDRSXRWPBNATRZ-BPAFIMBUSA-N 2 1 314.473 3.153 20 0 DGADMP FC(F)(F)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677235936 548472825 /nfs/dbraw/zinc/47/28/25/548472825.db2.gz KFZGYCBIYOXGHF-HOTGVXAUSA-N 2 1 312.379 3.464 20 0 DGADMP FC(F)(F)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677235931 548472948 /nfs/dbraw/zinc/47/29/48/548472948.db2.gz KFZGYCBIYOXGHF-CVEARBPZSA-N 2 1 312.379 3.464 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237457 548473800 /nfs/dbraw/zinc/47/38/00/548473800.db2.gz ISNNWAZPEDFQON-CVEARBPZSA-N 2 1 302.462 3.189 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(F)c1 ZINC000677242004 548474944 /nfs/dbraw/zinc/47/49/44/548474944.db2.gz VVKZGKGMQWLRHQ-IXDOHACOSA-N 2 1 306.425 3.200 20 0 DGADMP CC1(C)C[C@@H](NCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000677804366 548557422 /nfs/dbraw/zinc/55/74/22/548557422.db2.gz FZCVKYMCZMSTGJ-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCCn1cc[nH+]c1C ZINC000677820829 548561080 /nfs/dbraw/zinc/56/10/80/548561080.db2.gz YPRWMGPDMMPMBF-GOSISDBHSA-N 2 1 312.461 3.312 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCCn1cc[nH+]c1C ZINC000677820829 548561085 /nfs/dbraw/zinc/56/10/85/548561085.db2.gz YPRWMGPDMMPMBF-GOSISDBHSA-N 2 1 312.461 3.312 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccccc2F)cc1 ZINC000678122395 548617495 /nfs/dbraw/zinc/61/74/95/548617495.db2.gz NEBLJZKDYGGZSP-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000678122395 548617501 /nfs/dbraw/zinc/61/75/01/548617501.db2.gz NEBLJZKDYGGZSP-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000678212601 548639712 /nfs/dbraw/zinc/63/97/12/548639712.db2.gz ANOXLXMPOPEEAA-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000678285421 548670676 /nfs/dbraw/zinc/67/06/76/548670676.db2.gz BFXKFPOEMIMNLY-QZTJIDSGSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000678285421 548670681 /nfs/dbraw/zinc/67/06/81/548670681.db2.gz BFXKFPOEMIMNLY-QZTJIDSGSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000678285421 548670686 /nfs/dbraw/zinc/67/06/86/548670686.db2.gz BFXKFPOEMIMNLY-QZTJIDSGSA-N 2 1 314.473 3.216 20 0 DGADMP C/C(=C/c1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000678339464 548682514 /nfs/dbraw/zinc/68/25/14/548682514.db2.gz MVSXVEJBZGBIRH-KHYMRFHQSA-N 2 1 314.473 3.273 20 0 DGADMP C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000678339464 548682519 /nfs/dbraw/zinc/68/25/19/548682519.db2.gz MVSXVEJBZGBIRH-KHYMRFHQSA-N 2 1 314.473 3.273 20 0 DGADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000678343421 548684366 /nfs/dbraw/zinc/68/43/66/548684366.db2.gz UMFBEJJXENSUKE-ZIAGYGMSSA-N 2 1 300.377 3.045 20 0 DGADMP C[C@H](Cc1cccs1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000678585721 548732149 /nfs/dbraw/zinc/73/21/49/548732149.db2.gz JQXDUVQPGYLJRK-MRXNPFEDSA-N 2 1 322.518 3.304 20 0 DGADMP C[C@@H]1C[C@H](Nc2ccc(CC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000679140538 548837817 /nfs/dbraw/zinc/83/78/17/548837817.db2.gz ZJSFWCHTQSPBAI-VQIMIIECSA-N 2 1 301.478 3.220 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336362 548880618 /nfs/dbraw/zinc/88/06/18/548880618.db2.gz MRUJMCUGFNKBCE-CRAIPNDOSA-N 2 1 312.461 3.281 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000679342294 548881716 /nfs/dbraw/zinc/88/17/16/548881716.db2.gz AYJRLONEWVNWGQ-DLBZAZTESA-N 2 1 304.478 3.353 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000679573610 548919339 /nfs/dbraw/zinc/91/93/39/548919339.db2.gz AFVZTSRTNYQQIA-DFQSSKMNSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000679720963 548943412 /nfs/dbraw/zinc/94/34/12/548943412.db2.gz GCGJOSYBLPHFDD-DFQSSKMNSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000679720966 548943597 /nfs/dbraw/zinc/94/35/97/548943597.db2.gz GCGJOSYBLPHFDD-YSIASYRMSA-N 2 1 324.472 3.108 20 0 DGADMP C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680477280 549057836 /nfs/dbraw/zinc/05/78/36/549057836.db2.gz XZFHTXWUEZBHNF-INIZCTEOSA-N 2 1 313.445 3.215 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000681391477 549201617 /nfs/dbraw/zinc/20/16/17/549201617.db2.gz IBKUZUZEYHJMPO-OQIJWPOYSA-N 2 1 316.489 3.300 20 0 DGADMP Cc1ncc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074038 549283815 /nfs/dbraw/zinc/28/38/15/549283815.db2.gz CKBSOLAZIFCYDS-QOKNQOGYSA-N 2 1 314.477 3.103 20 0 DGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073418 549284716 /nfs/dbraw/zinc/28/47/16/549284716.db2.gz BAVWOEHAKNLJCG-SWLSCSKDSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073418 549284723 /nfs/dbraw/zinc/28/47/23/549284723.db2.gz BAVWOEHAKNLJCG-SWLSCSKDSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073418 549284726 /nfs/dbraw/zinc/28/47/26/549284726.db2.gz BAVWOEHAKNLJCG-SWLSCSKDSA-N 2 1 316.367 3.357 20 0 DGADMP Cc1cn2c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)c(C)nc2s1 ZINC000682953443 549403769 /nfs/dbraw/zinc/40/37/69/549403769.db2.gz FWZYYQNSKNTIFQ-UHFFFAOYSA-N 2 1 320.506 3.224 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(OCC)cn1 ZINC000683224635 549453499 /nfs/dbraw/zinc/45/34/99/549453499.db2.gz ODSNQSZUMAHXMH-UHFFFAOYSA-N 2 1 316.449 3.151 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OCC)cn1 ZINC000683224635 549453505 /nfs/dbraw/zinc/45/35/05/549453505.db2.gz ODSNQSZUMAHXMH-UHFFFAOYSA-N 2 1 316.449 3.151 20 0 DGADMP C[C@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000683705521 549522759 /nfs/dbraw/zinc/52/27/59/549522759.db2.gz YBLCSPJATAHWGJ-YLJYHZDGSA-N 2 1 316.489 3.413 20 0 DGADMP FC(F)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000684204681 549594178 /nfs/dbraw/zinc/59/41/78/549594178.db2.gz OKJAATHKMLAYLP-UHFFFAOYSA-N 2 1 303.356 3.341 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4cnccc4c3)C2)CC1 ZINC000685463139 549765476 /nfs/dbraw/zinc/76/54/76/549765476.db2.gz PBOBIBYQAPKWBI-FQEVSTJZSA-N 2 1 309.457 3.399 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685471234 549767447 /nfs/dbraw/zinc/76/74/47/549767447.db2.gz RNNNRDRCGFWWBC-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685471234 549767450 /nfs/dbraw/zinc/76/74/50/549767450.db2.gz RNNNRDRCGFWWBC-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685471234 549767452 /nfs/dbraw/zinc/76/74/52/549767452.db2.gz RNNNRDRCGFWWBC-VPUAMMGXSA-N 2 1 306.400 3.394 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573778 549776850 /nfs/dbraw/zinc/77/68/50/549776850.db2.gz XGRCNOZCVVYKOM-PBZHRCKQSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573778 549776854 /nfs/dbraw/zinc/77/68/54/549776854.db2.gz XGRCNOZCVVYKOM-PBZHRCKQSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573778 549776859 /nfs/dbraw/zinc/77/68/59/549776859.db2.gz XGRCNOZCVVYKOM-PBZHRCKQSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573778 549776862 /nfs/dbraw/zinc/77/68/62/549776862.db2.gz XGRCNOZCVVYKOM-PBZHRCKQSA-N 2 1 322.880 3.082 20 0 DGADMP CCCc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733329357 574616396 /nfs/dbraw/zinc/61/63/96/574616396.db2.gz RGCJWGQNLSKAEZ-HXUWFJFHSA-N 2 1 316.489 3.372 20 0 DGADMP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@H](n4ccnc4)C3)c2)cc1 ZINC000738159980 574859981 /nfs/dbraw/zinc/85/99/81/574859981.db2.gz VJVJCHKNPXXDSM-IBGZPJMESA-N 2 1 321.428 3.350 20 0 DGADMP Cc1ccc(-c2cnn(CN3CCC[C@H](n4ccnc4)C3)c2)cc1 ZINC000738159980 574859983 /nfs/dbraw/zinc/85/99/83/574859983.db2.gz VJVJCHKNPXXDSM-IBGZPJMESA-N 2 1 321.428 3.350 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000739876460 574914297 /nfs/dbraw/zinc/91/42/97/574914297.db2.gz SRMOGPADQCRQLQ-KRWDZBQOSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000739876460 574914299 /nfs/dbraw/zinc/91/42/99/574914299.db2.gz SRMOGPADQCRQLQ-KRWDZBQOSA-N 2 1 312.461 3.028 20 0 DGADMP CCCCCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000740876920 574944578 /nfs/dbraw/zinc/94/45/78/574944578.db2.gz OSFDGQBKQCSTKR-UHFFFAOYSA-N 2 1 317.521 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054605 574950374 /nfs/dbraw/zinc/95/03/74/574950374.db2.gz QSTPRPBMMJRPTD-PXNSSMCTSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054605 574950375 /nfs/dbraw/zinc/95/03/75/574950375.db2.gz QSTPRPBMMJRPTD-PXNSSMCTSA-N 2 1 316.489 3.306 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000742733916 575016190 /nfs/dbraw/zinc/01/61/90/575016190.db2.gz LPYOJGKHPCZXHC-SFHVURJKSA-N 2 1 315.505 3.497 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393341 575049030 /nfs/dbraw/zinc/04/90/30/575049030.db2.gz OIARIWRXQLRMQM-KRWDZBQOSA-N 2 1 314.477 3.274 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393341 575049033 /nfs/dbraw/zinc/04/90/33/575049033.db2.gz OIARIWRXQLRMQM-KRWDZBQOSA-N 2 1 314.477 3.274 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393341 575049035 /nfs/dbraw/zinc/04/90/35/575049035.db2.gz OIARIWRXQLRMQM-KRWDZBQOSA-N 2 1 314.477 3.274 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000743393341 575049036 /nfs/dbraw/zinc/04/90/36/575049036.db2.gz OIARIWRXQLRMQM-KRWDZBQOSA-N 2 1 314.477 3.274 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)c1C ZINC000743862021 575066361 /nfs/dbraw/zinc/06/63/61/575066361.db2.gz BVKZFVWYMKUJOB-UYAOXDASSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)c1C ZINC000743862021 575066364 /nfs/dbraw/zinc/06/63/64/575066364.db2.gz BVKZFVWYMKUJOB-UYAOXDASSA-N 2 1 316.489 3.287 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393661867 575210627 /nfs/dbraw/zinc/21/06/27/575210627.db2.gz RZLRTGOAJRCTAE-GBESFXJTSA-N 2 1 302.462 3.056 20 0 DGADMP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](CC)c1ccccc1 ZINC000746653236 575466143 /nfs/dbraw/zinc/46/61/43/575466143.db2.gz SBFAGTUGIAPOLN-OALUTQOASA-N 2 1 304.478 3.306 20 0 DGADMP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](CC)c1ccccc1 ZINC000746653236 575466147 /nfs/dbraw/zinc/46/61/47/575466147.db2.gz SBFAGTUGIAPOLN-OALUTQOASA-N 2 1 304.478 3.306 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000747532059 575523773 /nfs/dbraw/zinc/52/37/73/575523773.db2.gz HNKSTXIHWQEELY-HDMKZQKVSA-N 2 1 324.896 3.221 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000747532059 575523776 /nfs/dbraw/zinc/52/37/76/575523776.db2.gz HNKSTXIHWQEELY-HDMKZQKVSA-N 2 1 324.896 3.221 20 0 DGADMP C[N@@H+](CCSc1ccc(F)cc1F)C1CCC([NH3+])CC1 ZINC000852741355 620644727 /nfs/dbraw/zinc/64/47/27/620644727.db2.gz RJQAWOMFHGTPLE-UHFFFAOYSA-N 2 1 300.418 3.259 20 0 DGADMP C[C@@H](SC[C@@H]1CCC[N@H+]1C)[C@H](C)SC[C@@H]1CCC[NH+]1C ZINC000917537069 620672660 /nfs/dbraw/zinc/67/26/60/620672660.db2.gz WOWCLSVIVOKZJR-FZKCQIBNSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@@H](SC[C@@H]1CCC[NH+]1C)[C@H](C)SC[C@@H]1CCC[N@@H+]1C ZINC000917537069 620672662 /nfs/dbraw/zinc/67/26/62/620672662.db2.gz WOWCLSVIVOKZJR-FZKCQIBNSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@@H](SC[C@@H]1CCC[NH+]1C)[C@H](C)SC[C@@H]1CCC[N@H+]1C ZINC000917537069 620672663 /nfs/dbraw/zinc/67/26/63/620672663.db2.gz WOWCLSVIVOKZJR-FZKCQIBNSA-N 2 1 316.580 3.418 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853496817 620701333 /nfs/dbraw/zinc/70/13/33/620701333.db2.gz KZNQKHUBTQKDPN-UHFFFAOYSA-N 2 1 324.900 3.425 20 0 DGADMP CCN1CCC([N@H+](C)Cc2cc(C)nc3c2CCCC3)CC1 ZINC000891560646 617835532 /nfs/dbraw/zinc/83/55/32/617835532.db2.gz FSFBHAUEDPCPJQ-UHFFFAOYSA-N 2 1 301.478 3.185 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2cc(C)nc3c2CCCC3)CC1 ZINC000891560646 617835537 /nfs/dbraw/zinc/83/55/37/617835537.db2.gz FSFBHAUEDPCPJQ-UHFFFAOYSA-N 2 1 301.478 3.185 20 0 DGADMP Cc1cnc(Cl)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000891611657 617851278 /nfs/dbraw/zinc/85/12/78/617851278.db2.gz SWJAAYNRKLHRRC-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000891745199 617888301 /nfs/dbraw/zinc/88/83/01/617888301.db2.gz FVXUNGIAUCNHEV-UHFFFAOYSA-N 2 1 317.433 3.086 20 0 DGADMP c1ncn2ccnc(NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000892078336 617957885 /nfs/dbraw/zinc/95/78/85/617957885.db2.gz KSJSFSSYAPQSTC-QGZVFWFLSA-N 2 1 321.428 3.053 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133759 617971064 /nfs/dbraw/zinc/97/10/64/617971064.db2.gz SFLVBJWXPSYIQR-QGZVFWFLSA-N 2 1 302.462 3.175 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133759 617971065 /nfs/dbraw/zinc/97/10/65/617971065.db2.gz SFLVBJWXPSYIQR-QGZVFWFLSA-N 2 1 302.462 3.175 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133759 617971066 /nfs/dbraw/zinc/97/10/66/617971066.db2.gz SFLVBJWXPSYIQR-QGZVFWFLSA-N 2 1 302.462 3.175 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892133759 617971068 /nfs/dbraw/zinc/97/10/68/617971068.db2.gz SFLVBJWXPSYIQR-QGZVFWFLSA-N 2 1 302.462 3.175 20 0 DGADMP COC1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237441 617992677 /nfs/dbraw/zinc/99/26/77/617992677.db2.gz YXRVYYPZFFXJAN-JGJLBUBWSA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237441 617992680 /nfs/dbraw/zinc/99/26/80/617992680.db2.gz YXRVYYPZFFXJAN-JGJLBUBWSA-N 2 1 306.494 3.140 20 0 DGADMP COC1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237441 617992683 /nfs/dbraw/zinc/99/26/83/617992683.db2.gz YXRVYYPZFFXJAN-JGJLBUBWSA-N 2 1 306.494 3.140 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926457805 618025342 /nfs/dbraw/zinc/02/53/42/618025342.db2.gz RLGAQPZXZQPUOJ-SCTDSRPQSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926457805 618025348 /nfs/dbraw/zinc/02/53/48/618025348.db2.gz RLGAQPZXZQPUOJ-SCTDSRPQSA-N 2 1 320.525 3.150 20 0 DGADMP CC(C)CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926673913 618082834 /nfs/dbraw/zinc/08/28/34/618082834.db2.gz MAIHNDWSVZWDTO-RTBURBONSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926673913 618082840 /nfs/dbraw/zinc/08/28/40/618082840.db2.gz MAIHNDWSVZWDTO-RTBURBONSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926673911 618082957 /nfs/dbraw/zinc/08/29/57/618082957.db2.gz MAIHNDWSVZWDTO-RBUKOAKNSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926673911 618082960 /nfs/dbraw/zinc/08/29/60/618082960.db2.gz MAIHNDWSVZWDTO-RBUKOAKNSA-N 2 1 307.526 3.103 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CC2(C1)COC(C)(C)C2)Cc1ccccc1 ZINC000924580266 618121824 /nfs/dbraw/zinc/12/18/24/618121824.db2.gz RAIVIVCVAZNCKW-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C1CCCCC1 ZINC000924601902 618149832 /nfs/dbraw/zinc/14/98/32/618149832.db2.gz SLMSKSBAGPQZQV-MJGOQNOKSA-N 2 1 308.510 3.436 20 0 DGADMP O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000920096531 620782817 /nfs/dbraw/zinc/78/28/17/620782817.db2.gz ZQXQAGVCGDWNGJ-GHTZIAJQSA-N 2 1 324.468 3.433 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000920096531 620782818 /nfs/dbraw/zinc/78/28/18/620782818.db2.gz ZQXQAGVCGDWNGJ-GHTZIAJQSA-N 2 1 324.468 3.433 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000920096531 620782822 /nfs/dbraw/zinc/78/28/22/620782822.db2.gz ZQXQAGVCGDWNGJ-GHTZIAJQSA-N 2 1 324.468 3.433 20 0 DGADMP CCn1cc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000894456945 618338695 /nfs/dbraw/zinc/33/86/95/618338695.db2.gz WCSAQIKEMQVIJG-UHFFFAOYSA-N 2 1 314.477 3.295 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn3ccnc3s2)c1 ZINC000892937984 618358763 /nfs/dbraw/zinc/35/87/63/618358763.db2.gz KDOBLPRWKZOMDI-UHFFFAOYSA-N 2 1 314.458 3.137 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925513299 618451032 /nfs/dbraw/zinc/45/10/32/618451032.db2.gz IOSVEHXGAKBMEV-QRQLOZEOSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925513299 618451036 /nfs/dbraw/zinc/45/10/36/618451036.db2.gz IOSVEHXGAKBMEV-QRQLOZEOSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925513299 618451039 /nfs/dbraw/zinc/45/10/39/618451039.db2.gz IOSVEHXGAKBMEV-QRQLOZEOSA-N 3 1 307.526 3.009 20 0 DGADMP CC[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894765920 618452712 /nfs/dbraw/zinc/45/27/12/618452712.db2.gz KQESYEXYEWWETD-UHFFFAOYSA-N 2 1 300.450 3.110 20 0 DGADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2c(n1)CCCC2 ZINC000894860335 618480762 /nfs/dbraw/zinc/48/07/62/618480762.db2.gz ASUDLWQJAPFFMM-INIZCTEOSA-N 2 1 301.478 3.090 20 0 DGADMP C[C@@H](N)[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553563 618490078 /nfs/dbraw/zinc/49/00/78/618490078.db2.gz QUDQSWTUNUWGLL-MJGOQNOKSA-N 2 1 303.494 3.177 20 0 DGADMP Cc1csc(CCCC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000925567817 618496148 /nfs/dbraw/zinc/49/61/48/618496148.db2.gz QFDNWLHALRIOCL-YOEHRIQHSA-N 2 1 303.475 3.452 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893304100 618504296 /nfs/dbraw/zinc/50/42/96/618504296.db2.gz KSMJNTZESOWCKD-LTTJGMOWSA-N 2 1 306.425 3.117 20 0 DGADMP COC1CCC(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000893489254 618571071 /nfs/dbraw/zinc/57/10/71/618571071.db2.gz XZQYKZKMDUNPOY-SDDULXJBSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291877 618588804 /nfs/dbraw/zinc/58/88/04/618588804.db2.gz ISKOAPHTGDUUEA-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H](CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291877 618588806 /nfs/dbraw/zinc/58/88/06/618588806.db2.gz ISKOAPHTGDUUEA-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000925759401 618602046 /nfs/dbraw/zinc/60/20/46/618602046.db2.gz OADYQRMFKIYYLE-IEBWSBKVSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861832 618648022 /nfs/dbraw/zinc/64/80/22/618648022.db2.gz UBFPGAYGBVEIJM-ZTRSQXPZSA-N 3 1 301.478 3.072 20 0 DGADMP C[C@@H]([NH3+])[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861832 618648024 /nfs/dbraw/zinc/64/80/24/618648024.db2.gz UBFPGAYGBVEIJM-ZTRSQXPZSA-N 2 1 301.478 3.072 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043272 618698704 /nfs/dbraw/zinc/69/87/04/618698704.db2.gz FSSBCQDMYFRUIQ-YJBOKZPZSA-N 2 1 301.478 3.349 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043272 618698707 /nfs/dbraw/zinc/69/87/07/618698707.db2.gz FSSBCQDMYFRUIQ-YJBOKZPZSA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043272 618698709 /nfs/dbraw/zinc/69/87/09/618698709.db2.gz FSSBCQDMYFRUIQ-YJBOKZPZSA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2NCCC3)C[C@@H]1C ZINC000894043272 618698712 /nfs/dbraw/zinc/69/87/12/618698712.db2.gz FSSBCQDMYFRUIQ-YJBOKZPZSA-N 2 1 301.478 3.349 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043267 618698807 /nfs/dbraw/zinc/69/88/07/618698807.db2.gz FSSBCQDMYFRUIQ-CRAIPNDOSA-N 2 1 301.478 3.349 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043267 618698809 /nfs/dbraw/zinc/69/88/09/618698809.db2.gz FSSBCQDMYFRUIQ-CRAIPNDOSA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043267 618698812 /nfs/dbraw/zinc/69/88/12/618698812.db2.gz FSSBCQDMYFRUIQ-CRAIPNDOSA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043267 618698813 /nfs/dbraw/zinc/69/88/13/618698813.db2.gz FSSBCQDMYFRUIQ-CRAIPNDOSA-N 2 1 301.478 3.349 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062893 618702689 /nfs/dbraw/zinc/70/26/89/618702689.db2.gz GFNSKZBMZUEROL-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924870499 618712973 /nfs/dbraw/zinc/71/29/73/618712973.db2.gz AVDSLOMKCUGODF-HXUWFJFHSA-N 2 1 320.440 3.030 20 0 DGADMP COCCCC1(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CCC1 ZINC000894232714 618735109 /nfs/dbraw/zinc/73/51/09/618735109.db2.gz HDUFMHMTMSPBBH-UHFFFAOYSA-N 2 1 308.510 3.391 20 0 DGADMP COCCCC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC000895479296 618789903 /nfs/dbraw/zinc/78/99/03/618789903.db2.gz PCPYRLBUUNOXTD-SFHVURJKSA-N 2 1 308.510 3.295 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCN1c1cc[nH+]cc1 ZINC000895555765 618798246 /nfs/dbraw/zinc/79/82/46/618798246.db2.gz COLDRWQUROFUCQ-OAHLLOKOSA-N 2 1 306.413 3.274 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3ccncc3s2)CCN1c1cc[nH+]cc1 ZINC000895556242 618798284 /nfs/dbraw/zinc/79/82/84/618798284.db2.gz GZIDZJQEDGSGOH-CQSZACIVSA-N 2 1 324.453 3.402 20 0 DGADMP C[C@H]1C[N@@H+](Cc2nccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000895558536 618798974 /nfs/dbraw/zinc/79/89/74/618798974.db2.gz XNPWRUJWJNENOK-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895587174 618803003 /nfs/dbraw/zinc/80/30/03/618803003.db2.gz JYXPLYWHNCLLHK-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895587174 618803005 /nfs/dbraw/zinc/80/30/05/618803005.db2.gz JYXPLYWHNCLLHK-NSHDSACASA-N 2 1 321.412 3.069 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cn2cccc(F)c2n1 ZINC000895682454 618817915 /nfs/dbraw/zinc/81/79/15/618817915.db2.gz DJVYLLXLAUNSKB-UHFFFAOYSA-N 2 1 318.440 3.171 20 0 DGADMP COc1nccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1F ZINC000895860843 618840640 /nfs/dbraw/zinc/84/06/40/618840640.db2.gz IWWKSURWJRZSCG-UHFFFAOYSA-N 2 1 323.456 3.029 20 0 DGADMP CC(C)C[N@H+](Cc1cn2ccnc2s1)CC1CC[NH+](C)CC1 ZINC000895862244 618840848 /nfs/dbraw/zinc/84/08/48/618840848.db2.gz WTEQOOHYRZWSDV-UHFFFAOYSA-N 2 1 320.506 3.196 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnn(CC2CCC2)c1 ZINC000896027205 618864935 /nfs/dbraw/zinc/86/49/35/618864935.db2.gz HLKJRCJEELZSEQ-UHFFFAOYSA-N 2 1 318.509 3.381 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000909596690 619043886 /nfs/dbraw/zinc/04/38/86/619043886.db2.gz RSDQOAFTGNYAAS-FUHWJXTLSA-N 2 1 315.461 3.012 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000909596691 619043923 /nfs/dbraw/zinc/04/39/23/619043923.db2.gz RSDQOAFTGNYAAS-SJLPKXTDSA-N 2 1 315.461 3.012 20 0 DGADMP C[C@H](CC[NH2+]C1CC2(C1)CO[C@@H](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000925199309 619073470 /nfs/dbraw/zinc/07/34/70/619073470.db2.gz AGKXHPNTHLHLLX-WSCVDHEUSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@H+]2C2CC2)cc1 ZINC000897809594 619184416 /nfs/dbraw/zinc/18/44/16/619184416.db2.gz KYDUKRZIFPNFNT-DJIJXNAKSA-N 2 1 324.468 3.120 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@@H+]2C2CC2)cc1 ZINC000897809594 619184417 /nfs/dbraw/zinc/18/44/17/619184417.db2.gz KYDUKRZIFPNFNT-DJIJXNAKSA-N 2 1 324.468 3.120 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@H+]2C2CC2)cc1 ZINC000897809599 619184432 /nfs/dbraw/zinc/18/44/32/619184432.db2.gz KYDUKRZIFPNFNT-NOULKFBDSA-N 2 1 324.468 3.120 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[N@@H+]2C2CC2)cc1 ZINC000897809599 619184434 /nfs/dbraw/zinc/18/44/34/619184434.db2.gz KYDUKRZIFPNFNT-NOULKFBDSA-N 2 1 324.468 3.120 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000897882089 619190731 /nfs/dbraw/zinc/19/07/31/619190731.db2.gz ICSWOFGRPDARTB-NNUKFRKNSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000897882386 619191141 /nfs/dbraw/zinc/19/11/41/619191141.db2.gz NQVRTNIGCWUJCV-DTZQCDIJSA-N 2 1 306.400 3.427 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)[NH+]1CCCC1 ZINC000924638692 619251514 /nfs/dbraw/zinc/25/15/14/619251514.db2.gz KNUUHJTUGAOGKU-UHOSZYNNSA-N 2 1 301.478 3.257 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924663044 619254863 /nfs/dbraw/zinc/25/48/63/619254863.db2.gz XUYXVEICCUZXRC-ZWKOTPCHSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924688980 619257976 /nfs/dbraw/zinc/25/79/76/619257976.db2.gz VXLLPPXSYHRDLP-QRVBRYPASA-N 3 1 307.526 3.248 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC000898517678 619283424 /nfs/dbraw/zinc/28/34/24/619283424.db2.gz BKVZPKQFXTXPQT-XIKSMUEASA-N 2 1 314.473 3.054 20 0 DGADMP Cn1cccc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522508 619283874 /nfs/dbraw/zinc/28/38/74/619283874.db2.gz PONYRVWXPVAYBC-AABGKKOBSA-N 2 1 323.484 3.415 20 0 DGADMP Cc1c[nH]c(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898520237 619284067 /nfs/dbraw/zinc/28/40/67/619284067.db2.gz WJPBDUKVPXANHB-QYZOEREBSA-N 2 1 324.472 3.108 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c[nH]1 ZINC000898523123 619284087 /nfs/dbraw/zinc/28/40/87/619284087.db2.gz ZQGNCZMGGYALBD-HSALFYBXSA-N 2 1 309.457 3.405 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924750973 619313946 /nfs/dbraw/zinc/31/39/46/619313946.db2.gz HUTYLWKQEWQECP-YJBOKZPZSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924750973 619313947 /nfs/dbraw/zinc/31/39/47/619313947.db2.gz HUTYLWKQEWQECP-YJBOKZPZSA-N 2 1 308.510 3.292 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C1 ZINC000902321413 619615091 /nfs/dbraw/zinc/61/50/91/619615091.db2.gz VSTFQAZTVCJOGX-CVEARBPZSA-N 2 1 321.534 3.253 20 0 DGADMP CC(C)[N@@H+](C)CCN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902345022 619619261 /nfs/dbraw/zinc/61/92/61/619619261.db2.gz IXOZIYBQKXJASI-QGZVFWFLSA-N 2 1 313.436 3.065 20 0 DGADMP CC(C)N(C)CC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902345022 619619264 /nfs/dbraw/zinc/61/92/64/619619264.db2.gz IXOZIYBQKXJASI-QGZVFWFLSA-N 2 1 313.436 3.065 20 0 DGADMP Cc1ccc([C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)N2CCCC2)o1 ZINC000902348268 619620291 /nfs/dbraw/zinc/62/02/91/619620291.db2.gz YNCUEECQHKWMLA-DLBZAZTESA-N 2 1 319.493 3.093 20 0 DGADMP CCn1nccc1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394692 619630853 /nfs/dbraw/zinc/63/08/53/619630853.db2.gz AIEXZKOPJPGRJH-KRWDZBQOSA-N 2 1 322.403 3.141 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000902621488 619659361 /nfs/dbraw/zinc/65/93/61/619659361.db2.gz KKVNTNIUIBARKI-QGZVFWFLSA-N 2 1 301.478 3.248 20 0 DGADMP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000902757343 619671034 /nfs/dbraw/zinc/67/10/34/619671034.db2.gz RGFWZVAPNFRCHL-IAGOWNOFSA-N 2 1 314.433 3.013 20 0 DGADMP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000902757342 619671104 /nfs/dbraw/zinc/67/11/04/619671104.db2.gz RGFWZVAPNFRCHL-DLBZAZTESA-N 2 1 314.433 3.013 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(=O)OC)cc2C)C1 ZINC000902761673 619671947 /nfs/dbraw/zinc/67/19/47/619671947.db2.gz WUAGBKFCPZZFPI-HZPDHXFCSA-N 2 1 318.461 3.164 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(=O)OC)cc2C)C1 ZINC000902761671 619672029 /nfs/dbraw/zinc/67/20/29/619672029.db2.gz WUAGBKFCPZZFPI-CVEARBPZSA-N 2 1 318.461 3.164 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902789878 619676897 /nfs/dbraw/zinc/67/68/97/619676897.db2.gz KUXUKGWACYRFTN-RVKKMQEKSA-N 2 1 313.445 3.057 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2ccnc2)c1 ZINC000903009987 619704219 /nfs/dbraw/zinc/70/42/19/619704219.db2.gz GZDGSNSHKRHGTJ-CCNLRDMRSA-N 2 1 310.445 3.148 20 0 DGADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)COC1CCCCC1 ZINC000903060387 619707709 /nfs/dbraw/zinc/70/77/09/619707709.db2.gz XWTWGYCBIAGLSU-ZNXRZULTSA-N 2 1 306.494 3.473 20 0 DGADMP Fc1cccc(F)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075144 619711629 /nfs/dbraw/zinc/71/16/29/619711629.db2.gz ZOWOOLLDCURGIU-LQDVMPOASA-N 2 1 306.400 3.255 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091144 619714529 /nfs/dbraw/zinc/71/45/29/619714529.db2.gz OCOBXFOPSDZCBE-FUHWJXTLSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091144 619714530 /nfs/dbraw/zinc/71/45/30/619714530.db2.gz OCOBXFOPSDZCBE-FUHWJXTLSA-N 2 1 318.509 3.454 20 0 DGADMP C[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113699 619720065 /nfs/dbraw/zinc/72/00/65/619720065.db2.gz QHOFFZTWMMLQCI-PXWCZTGZSA-N 2 1 314.473 3.246 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@@H](C)C1 ZINC000903165714 619728404 /nfs/dbraw/zinc/72/84/04/619728404.db2.gz LNBMYPUVSKYBCC-QTMHVTGLSA-N 2 1 308.510 3.149 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCOC23CCCC3)[C@H](c2ccccc2)C1 ZINC000903193480 619733617 /nfs/dbraw/zinc/73/36/17/619733617.db2.gz DYRMAMQGZVLLGW-QYZOEREBSA-N 2 1 314.473 3.023 20 0 DGADMP C[C@@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@]1(F)Cl ZINC000903193923 619733677 /nfs/dbraw/zinc/73/36/77/619733677.db2.gz HYSABDDGJHXTPJ-IXCHPVQKSA-N 2 1 300.849 3.439 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903187272 619736942 /nfs/dbraw/zinc/73/69/42/619736942.db2.gz ZMTVVEWSQXGCIZ-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]1[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000903299768 619753279 /nfs/dbraw/zinc/75/32/79/619753279.db2.gz DOTQDRQCYCTZGK-ACAXCVFMSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000903408262 619771861 /nfs/dbraw/zinc/77/18/61/619771861.db2.gz RPUYQJFMHQLFMJ-SOAGJPPSSA-N 2 1 316.489 3.180 20 0 DGADMP CC[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431355 619774765 /nfs/dbraw/zinc/77/47/65/619774765.db2.gz KVTPHINPJIEENJ-HIFRSBDPSA-N 2 1 311.267 3.398 20 0 DGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430162 619774943 /nfs/dbraw/zinc/77/49/43/619774943.db2.gz PDGNKBQUNIZMIT-YPMHNXCESA-N 2 1 302.340 3.144 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000903442714 619777363 /nfs/dbraw/zinc/77/73/63/619777363.db2.gz ZORCROMKFBBYAA-KVPLUYHFSA-N 2 1 315.505 3.271 20 0 DGADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1)[C@@H]1CCC[NH2+]C1 ZINC000903565979 619783715 /nfs/dbraw/zinc/78/37/15/619783715.db2.gz WIKJYZFPOOALOQ-GJZGRUSLSA-N 2 1 319.518 3.201 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000903722468 619803626 /nfs/dbraw/zinc/80/36/26/619803626.db2.gz BDMWHXRLFXDGFM-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c(C)c1 ZINC000903722866 619804181 /nfs/dbraw/zinc/80/41/81/619804181.db2.gz DXKLBHHZSAQZHC-QZTJIDSGSA-N 2 1 316.489 3.455 20 0 DGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724916 619804925 /nfs/dbraw/zinc/80/49/25/619804925.db2.gz SGRYNCMXXNMZID-DZGCQCFKSA-N 2 1 324.415 3.116 20 0 DGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730669 619805645 /nfs/dbraw/zinc/80/56/45/619805645.db2.gz YIVPESRHCTWZHF-RBUKOAKNSA-N 2 1 316.489 3.474 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)[C@@H]1CCC[NH3+] ZINC000903766383 619809887 /nfs/dbraw/zinc/80/98/87/619809887.db2.gz PVZKDWLTLAFYOJ-TUVASFSCSA-N 2 1 322.415 3.326 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCCC2(CCCC2)CC1 ZINC000903769180 619810142 /nfs/dbraw/zinc/81/01/42/619810142.db2.gz ZGCWZLDSAMSIDK-KRWDZBQOSA-N 2 1 306.494 3.191 20 0 DGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788365 619813877 /nfs/dbraw/zinc/81/38/77/619813877.db2.gz JAKWHELYJSYHOF-NLWGTHIKSA-N 2 1 314.473 3.023 20 0 DGADMP O=C(c1ccccc1Cl)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000903831958 619820971 /nfs/dbraw/zinc/82/09/71/619820971.db2.gz OYTUIBKQLDCMIU-CQSZACIVSA-N 2 1 320.864 3.234 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3cccc(Cl)c3)o1)C2 ZINC000903843055 619822611 /nfs/dbraw/zinc/82/26/11/619822611.db2.gz AYJPVLMNIHLIJV-GLQYFDAESA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3cccc(Cl)c3)o1)C2 ZINC000903843055 619822614 /nfs/dbraw/zinc/82/26/14/619822614.db2.gz AYJPVLMNIHLIJV-GLQYFDAESA-N 2 1 317.820 3.307 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892782 619829385 /nfs/dbraw/zinc/82/93/85/619829385.db2.gz WNSFPCSTXYBIEI-YCXXCVGLSA-N 2 1 300.446 3.363 20 0 DGADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CCC(C)C)cnn1C ZINC000903900010 619830814 /nfs/dbraw/zinc/83/08/14/619830814.db2.gz XWWDZBCWFFBXIR-PKOBYXMFSA-N 2 1 320.525 3.137 20 0 DGADMP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903910533 619833034 /nfs/dbraw/zinc/83/30/34/619833034.db2.gz NGRXUXMHBIFFER-DPGVMXDBSA-N 2 1 302.437 3.320 20 0 DGADMP CCc1ccc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903912694 619833679 /nfs/dbraw/zinc/83/36/79/619833679.db2.gz HPSDLDFRIDDJTN-ZNBHLAFESA-N 2 1 314.473 3.153 20 0 DGADMP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913946 619833883 /nfs/dbraw/zinc/83/38/83/619833883.db2.gz GEYJEOIOVSXHIV-LRDDRELGSA-N 2 1 312.379 3.495 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000903937331 619837807 /nfs/dbraw/zinc/83/78/07/619837807.db2.gz IGNVPSJTMLZUQM-MWDBYQCVSA-N 3 1 319.537 3.137 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903937386 619837927 /nfs/dbraw/zinc/83/79/27/619837927.db2.gz JYSOQYQXKZNFMB-YQQQUEKLSA-N 2 1 319.537 3.248 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959859 619839624 /nfs/dbraw/zinc/83/96/24/619839624.db2.gz QCYSSPGOFKNYPN-LJQANCHMSA-N 2 1 318.509 3.221 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959859 619839626 /nfs/dbraw/zinc/83/96/26/619839626.db2.gz QCYSSPGOFKNYPN-LJQANCHMSA-N 2 1 318.509 3.221 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000903955026 619846197 /nfs/dbraw/zinc/84/61/97/619846197.db2.gz YKEPGBONCXJDOJ-KBMXLJTQSA-N 2 1 307.507 3.094 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000903955383 619846227 /nfs/dbraw/zinc/84/62/27/619846227.db2.gz QKYHUCRGXHNGSN-ZDUSSCGKSA-N 2 1 323.412 3.145 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1C(F)(F)F ZINC000903956654 619846820 /nfs/dbraw/zinc/84/68/20/619846820.db2.gz MIOFZHOODVNOII-LBPRGKRZSA-N 2 1 322.321 3.348 20 0 DGADMP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973142 619847429 /nfs/dbraw/zinc/84/74/29/619847429.db2.gz OYTSECTVCPYDEX-HKUYNNGSSA-N 2 1 316.489 3.004 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973105 619847547 /nfs/dbraw/zinc/84/75/47/619847547.db2.gz OKLBXDIZAQIQPC-OALUTQOASA-N 2 1 316.489 3.175 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972388 619847579 /nfs/dbraw/zinc/84/75/79/619847579.db2.gz HOSTXXFDPLKZBT-MOPGFXCFSA-N 2 1 316.489 3.146 20 0 DGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000904328510 619913854 /nfs/dbraw/zinc/91/38/54/619913854.db2.gz FZXZZGCQFXQJJT-KRWDZBQOSA-N 2 1 304.478 3.436 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)C1 ZINC000904327025 619913880 /nfs/dbraw/zinc/91/38/80/619913880.db2.gz XGIGSKZHARWICI-BBWFWOEESA-N 2 1 316.470 3.021 20 0 DGADMP Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904346076 619914957 /nfs/dbraw/zinc/91/49/57/619914957.db2.gz QBDYLEPFDKWQDB-TYPHKJRUSA-N 2 1 324.468 3.268 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000904384369 619918719 /nfs/dbraw/zinc/91/87/19/619918719.db2.gz JWTPDRHFRGRSFF-QUCCMNQESA-N 3 1 315.505 3.265 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC000904409963 619920756 /nfs/dbraw/zinc/92/07/56/619920756.db2.gz LAOGEUJRNBGLDQ-AEFFLSMTSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000904412812 619921086 /nfs/dbraw/zinc/92/10/86/619921086.db2.gz ZLRXRBOAYSPIQU-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000904442465 619923012 /nfs/dbraw/zinc/92/30/12/619923012.db2.gz DAXKYHPUPCLGFE-QPJJXVBHSA-N 2 1 308.425 3.360 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000904451526 619923347 /nfs/dbraw/zinc/92/33/47/619923347.db2.gz YWIIKHOHHLBHCC-UHFFFAOYSA-N 2 1 318.424 3.120 20 0 DGADMP C[C@]1(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000904473338 619924755 /nfs/dbraw/zinc/92/47/55/619924755.db2.gz IEBSSAZQNOIOAT-SFHVURJKSA-N 2 1 320.864 3.234 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(C)c2)c1 ZINC000905063080 619969687 /nfs/dbraw/zinc/96/96/87/619969687.db2.gz RWEJYQBWAKZIHG-FQEVSTJZSA-N 2 1 312.457 3.270 20 0 DGADMP [NH3+]C1CC([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000906509903 620101828 /nfs/dbraw/zinc/10/18/28/620101828.db2.gz AYSHIBBCKAGAST-UHFFFAOYSA-N 2 1 312.257 3.304 20 0 DGADMP c1ncc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000906524592 620102925 /nfs/dbraw/zinc/10/29/25/620102925.db2.gz FYXUZTRBEFUHJU-UHFFFAOYSA-N 2 1 311.429 3.306 20 0 DGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000906907816 620126418 /nfs/dbraw/zinc/12/64/18/620126418.db2.gz UGPFXOXHRDXMCJ-KRWDZBQOSA-N 2 1 317.477 3.117 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000153697342 620594474 /nfs/dbraw/zinc/59/44/74/620594474.db2.gz YQEIBURXGSPCAM-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000765799984 620598897 /nfs/dbraw/zinc/59/88/97/620598897.db2.gz ADECKBMYLQJGDZ-OAHLLOKOSA-N 2 1 314.539 3.141 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000921500092 620874260 /nfs/dbraw/zinc/87/42/60/620874260.db2.gz BJDVLTOEPXIKIZ-UHFFFAOYSA-N 2 1 318.852 3.292 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921500299 620874503 /nfs/dbraw/zinc/87/45/03/620874503.db2.gz CRGDPXNJRRWWES-OKZBNKHCSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921541833 620905043 /nfs/dbraw/zinc/90/50/43/620905043.db2.gz MASFMUZCKMPPIA-CALCHBBNSA-N 2 1 318.509 3.456 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921749687 620944477 /nfs/dbraw/zinc/94/44/77/620944477.db2.gz PYIJIHPNAMNLRN-OAHLLOKOSA-N 2 1 311.429 3.102 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@H]1c1cccs1 ZINC000921776172 620948280 /nfs/dbraw/zinc/94/82/80/620948280.db2.gz MGWARTLIFVPDTH-YOEHRIQHSA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@H]1c1cccs1 ZINC000921776172 620948282 /nfs/dbraw/zinc/94/82/82/620948282.db2.gz MGWARTLIFVPDTH-YOEHRIQHSA-N 2 1 317.458 3.021 20 0 DGADMP c1nn(CC2CCC2)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000921815458 620954437 /nfs/dbraw/zinc/95/44/37/620954437.db2.gz IOGVYMGVZJKAPG-UHFFFAOYSA-N 2 1 316.493 3.180 20 0 DGADMP CSCc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000922024664 620981716 /nfs/dbraw/zinc/98/17/16/620981716.db2.gz HMAVGXMCQHSBAT-MRXNPFEDSA-N 2 1 301.459 3.098 20 0 DGADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCC[C@H](C3CCOCC3)C1)CC2 ZINC000922063998 620985072 /nfs/dbraw/zinc/98/50/72/620985072.db2.gz PQMFTTNYQKPCFQ-BPQIPLTHSA-N 2 1 317.477 3.021 20 0 DGADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCC[C@@H](C3CCOCC3)C1)CC2 ZINC000922063999 620985319 /nfs/dbraw/zinc/98/53/19/620985319.db2.gz PQMFTTNYQKPCFQ-KBAYOESNSA-N 2 1 317.477 3.021 20 0 DGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000922076569 620986081 /nfs/dbraw/zinc/98/60/81/620986081.db2.gz IBOFOSCUWVGTMZ-SFHVURJKSA-N 2 1 324.472 3.220 20 0 DGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000922076569 620986082 /nfs/dbraw/zinc/98/60/82/620986082.db2.gz IBOFOSCUWVGTMZ-SFHVURJKSA-N 2 1 324.472 3.220 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3C[C@H]3C)C2)ccn1 ZINC000856559149 621004731 /nfs/dbraw/zinc/00/47/31/621004731.db2.gz NKCQBMPHOVLHNO-JTDSTZFVSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3C[C@H]3C)C2)ccn1 ZINC000856559149 621004735 /nfs/dbraw/zinc/00/47/35/621004735.db2.gz NKCQBMPHOVLHNO-JTDSTZFVSA-N 2 1 317.477 3.031 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3C[C@H]3C)C2)ccn1 ZINC000856559149 621004739 /nfs/dbraw/zinc/00/47/39/621004739.db2.gz NKCQBMPHOVLHNO-JTDSTZFVSA-N 2 1 317.477 3.031 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCCCF)C2)ccn1 ZINC000856584379 621006356 /nfs/dbraw/zinc/00/63/56/621006356.db2.gz IVIXAHREGGBDAB-SFHVURJKSA-N 2 1 323.456 3.126 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCCCF)C2)ccn1 ZINC000856584379 621006363 /nfs/dbraw/zinc/00/63/63/621006363.db2.gz IVIXAHREGGBDAB-SFHVURJKSA-N 2 1 323.456 3.126 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCCCF)C2)ccn1 ZINC000856584379 621006366 /nfs/dbraw/zinc/00/63/66/621006366.db2.gz IVIXAHREGGBDAB-SFHVURJKSA-N 2 1 323.456 3.126 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000922212182 621006533 /nfs/dbraw/zinc/00/65/33/621006533.db2.gz OCLNAJQTMLLXOZ-CTNGQTDRSA-N 2 1 324.468 3.439 20 0 DGADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000922248558 621012961 /nfs/dbraw/zinc/01/29/61/621012961.db2.gz DRKFZNMZAHGYJI-FJIDUMEYSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000922248558 621012966 /nfs/dbraw/zinc/01/29/66/621012966.db2.gz DRKFZNMZAHGYJI-FJIDUMEYSA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CCCCC3)C2)[C@H]1C(C)C ZINC000922391810 621033240 /nfs/dbraw/zinc/03/32/40/621033240.db2.gz HIFCZNMPPGVNQP-NCXUSEDFSA-N 2 1 308.510 3.026 20 0 DGADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCO1 ZINC000922817518 621104669 /nfs/dbraw/zinc/10/46/69/621104669.db2.gz QTMAOGKLMQLTLW-IBGZPJMESA-N 2 1 302.462 3.200 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC(C)C ZINC000858095219 621151858 /nfs/dbraw/zinc/15/18/58/621151858.db2.gz NDJSYGLUASTWFJ-INIZCTEOSA-N 2 1 320.477 3.445 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC(C)C ZINC000858095219 621151860 /nfs/dbraw/zinc/15/18/60/621151860.db2.gz NDJSYGLUASTWFJ-INIZCTEOSA-N 2 1 320.477 3.445 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnc(F)c2)c1 ZINC000858113017 621154427 /nfs/dbraw/zinc/15/44/27/621154427.db2.gz LQCLPJVWMNNIRI-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)CC1(C)C ZINC000858189031 621163212 /nfs/dbraw/zinc/16/32/12/621163212.db2.gz LIOCPZSPDHHJKJ-LPHOPBHVSA-N 2 1 312.457 3.336 20 0 DGADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1cc2ccccc2o1 ZINC000923309328 621175364 /nfs/dbraw/zinc/17/53/64/621175364.db2.gz UMDDFNZPZGFJLW-HOCLYGCPSA-N 2 1 314.429 3.194 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(C)ccc1C ZINC000858362142 621181300 /nfs/dbraw/zinc/18/13/00/621181300.db2.gz PFBFEGIPZFTUDK-SCTDSRPQSA-N 2 1 302.462 3.207 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(C)ccc1C ZINC000858362142 621181302 /nfs/dbraw/zinc/18/13/02/621181302.db2.gz PFBFEGIPZFTUDK-SCTDSRPQSA-N 2 1 302.462 3.207 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CC3CCC2CC3)C1 ZINC000923392839 621181665 /nfs/dbraw/zinc/18/16/65/621181665.db2.gz LDJNPZYJLBPMRH-NYJSNXFMSA-N 2 1 306.494 3.174 20 0 DGADMP FC1(F)C[C@]2(CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1(F)F ZINC000923428516 621183486 /nfs/dbraw/zinc/18/34/86/621183486.db2.gz HYWAAJMBACVRBR-GSPSYOTPSA-N 2 1 320.374 3.274 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000923484478 621187551 /nfs/dbraw/zinc/18/75/51/621187551.db2.gz KBKIBRGPYFGAOC-MRXNPFEDSA-N 2 1 320.440 3.172 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000923483082 621187682 /nfs/dbraw/zinc/18/76/82/621187682.db2.gz XFBDHECKEZNHNQ-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502054 621188051 /nfs/dbraw/zinc/18/80/51/621188051.db2.gz XAPSKIIXEYNCLT-HRCADAONSA-N 2 1 317.477 3.054 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492232 621188334 /nfs/dbraw/zinc/18/83/34/621188334.db2.gz APRYOURXIFKYSH-MBNYWOFBSA-N 2 1 311.267 3.427 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923493099 621188369 /nfs/dbraw/zinc/18/83/69/621188369.db2.gz STQZUJATHBGTJN-CVEARBPZSA-N 2 1 317.477 3.116 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1C[NH3+] ZINC000923497456 621188464 /nfs/dbraw/zinc/18/84/64/621188464.db2.gz LVEIOCMHABYVNO-NWDGAFQWSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1C[NH3+] ZINC000923496866 621188649 /nfs/dbraw/zinc/18/86/49/621188649.db2.gz JYVHYZHOYFILJG-NWDGAFQWSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923497891 621188796 /nfs/dbraw/zinc/18/87/96/621188796.db2.gz NDYPKQLCYOKGNG-OLZOCXBDSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923496973 621188926 /nfs/dbraw/zinc/18/89/26/621188926.db2.gz KRHIGRGRGRYYJG-OCCSQVGLSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1C[NH3+] ZINC000923499989 621189305 /nfs/dbraw/zinc/18/93/05/621189305.db2.gz PQWLDYGCFDLLQE-WDEREUQCSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@H]1C[NH3+] ZINC000923499988 621189365 /nfs/dbraw/zinc/18/93/65/621189365.db2.gz PQWLDYGCFDLLQE-QWRGUYRKSA-N 2 1 315.230 3.005 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492321 621209946 /nfs/dbraw/zinc/20/99/46/621209946.db2.gz HTDSLEUESWMYGW-HKUYNNGSSA-N 3 1 303.494 3.177 20 0 DGADMP CCc1noc(C)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215209 621261284 /nfs/dbraw/zinc/26/12/84/621261284.db2.gz YPSVFNNTFVELNC-UHFFFAOYSA-N 2 1 301.434 3.239 20 0 DGADMP CCc1noc(C)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215209 621261286 /nfs/dbraw/zinc/26/12/86/621261286.db2.gz YPSVFNNTFVELNC-UHFFFAOYSA-N 2 1 301.434 3.239 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000859216193 621261756 /nfs/dbraw/zinc/26/17/56/621261756.db2.gz ZGEQRBBTGMQZTD-AWEZNQCLSA-N 2 1 301.261 3.374 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H](O)CN2CCCC2)C(C)(C)C)cc1 ZINC000859438811 621277806 /nfs/dbraw/zinc/27/78/06/621277806.db2.gz UVRDMIIYIZZEBJ-SFHVURJKSA-N 2 1 304.478 3.052 20 0 DGADMP Cc1ccc(C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000859438811 621277809 /nfs/dbraw/zinc/27/78/09/621277809.db2.gz UVRDMIIYIZZEBJ-SFHVURJKSA-N 2 1 304.478 3.052 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000859438811 621277811 /nfs/dbraw/zinc/27/78/11/621277811.db2.gz UVRDMIIYIZZEBJ-SFHVURJKSA-N 2 1 304.478 3.052 20 0 DGADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000839165228 621341536 /nfs/dbraw/zinc/34/15/36/621341536.db2.gz LAISFLRTBZMYRV-UHFFFAOYSA-N 2 1 317.824 3.134 20 0 DGADMP COc1cccc2cc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)oc21 ZINC000839182894 621344142 /nfs/dbraw/zinc/34/41/42/621344142.db2.gz RHWWDFUWDOQZCG-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)cn1 ZINC000859997673 621353420 /nfs/dbraw/zinc/35/34/20/621353420.db2.gz VNEZRQDDGMNVRV-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP CC[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997782 621353444 /nfs/dbraw/zinc/35/34/44/621353444.db2.gz RRFUWBOPFUCUEM-GOSISDBHSA-N 2 1 320.477 3.112 20 0 DGADMP Cc1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862351520 621576313 /nfs/dbraw/zinc/57/63/13/621576313.db2.gz PFQGAGSWVDCVQZ-QGZVFWFLSA-N 2 1 313.420 3.141 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCOC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000863551229 621682781 /nfs/dbraw/zinc/68/27/81/621682781.db2.gz DVXVQDYENOHLBE-UKRRQHHQSA-N 2 1 322.415 3.185 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000863551229 621682783 /nfs/dbraw/zinc/68/27/83/621682783.db2.gz DVXVQDYENOHLBE-UKRRQHHQSA-N 2 1 322.415 3.185 20 0 DGADMP C[C@@H]1CCOCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000839544660 621693571 /nfs/dbraw/zinc/69/35/71/621693571.db2.gz XAEYQWKXJLVINU-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000757988075 621751328 /nfs/dbraw/zinc/75/13/28/621751328.db2.gz ZTPHZUBAHNSODE-KDOFPFPSSA-N 2 1 311.429 3.164 20 0 DGADMP CCCCCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000759405529 621853884 /nfs/dbraw/zinc/85/38/84/621853884.db2.gz ZBGDEYBKPOGNEJ-NZSAHSFTSA-N 2 1 308.510 3.266 20 0 DGADMP CCCCCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000759405532 621853993 /nfs/dbraw/zinc/85/39/93/621853993.db2.gz ZBGDEYBKPOGNEJ-YTQUADARSA-N 2 1 308.510 3.266 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccccc1C ZINC000759738039 621886795 /nfs/dbraw/zinc/88/67/95/621886795.db2.gz LEBCOLRJBZZOGU-GOSISDBHSA-N 2 1 315.461 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccccc1C ZINC000759738039 621886798 /nfs/dbraw/zinc/88/67/98/621886798.db2.gz LEBCOLRJBZZOGU-GOSISDBHSA-N 2 1 315.461 3.200 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865568013 621953260 /nfs/dbraw/zinc/95/32/60/621953260.db2.gz WQJVMHIKSCAOQH-LBPRGKRZSA-N 2 1 301.356 3.269 20 0 DGADMP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000865733593 621985603 /nfs/dbraw/zinc/98/56/03/621985603.db2.gz MNWBYUUNDPJCBO-IYARVYRRSA-N 2 1 322.493 3.316 20 0 DGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865782526 621994586 /nfs/dbraw/zinc/99/45/86/621994586.db2.gz XINFLKBCABMDEX-LJISPDSOSA-N 2 1 302.384 3.348 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000865874096 622013333 /nfs/dbraw/zinc/01/33/33/622013333.db2.gz QUOHKLYFCJNINQ-JFRXWTBNSA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000865874096 622013335 /nfs/dbraw/zinc/01/33/35/622013335.db2.gz QUOHKLYFCJNINQ-JFRXWTBNSA-N 2 1 304.478 3.179 20 0 DGADMP C[NH+](C)CC(C)(C)CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762474931 622078165 /nfs/dbraw/zinc/07/81/65/622078165.db2.gz FYMGPFKBMALDGE-GOSISDBHSA-N 2 1 317.521 3.217 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000762474931 622078168 /nfs/dbraw/zinc/07/81/68/622078168.db2.gz FYMGPFKBMALDGE-GOSISDBHSA-N 2 1 317.521 3.217 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866272611 622082075 /nfs/dbraw/zinc/08/20/75/622082075.db2.gz RJTSKYSVZZIGJP-WBVHZDCISA-N 2 1 303.381 3.033 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCO1 ZINC000762652247 622089403 /nfs/dbraw/zinc/08/94/03/622089403.db2.gz XPTSQEHONRWCPL-NCXUSEDFSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCO1 ZINC000762652247 622089405 /nfs/dbraw/zinc/08/94/05/622089405.db2.gz XPTSQEHONRWCPL-NCXUSEDFSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(OC)c1OC ZINC000866390664 622109355 /nfs/dbraw/zinc/10/93/55/622109355.db2.gz PXNHJGCXZNIONU-ZBFHGGJFSA-N 2 1 306.450 3.229 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(OC)c1OC ZINC000866390664 622109356 /nfs/dbraw/zinc/10/93/56/622109356.db2.gz PXNHJGCXZNIONU-ZBFHGGJFSA-N 2 1 306.450 3.229 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866392365 622109979 /nfs/dbraw/zinc/10/99/79/622109979.db2.gz AUESAQSXIGLZFT-LPHOPBHVSA-N 2 1 301.478 3.114 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000866474624 622123716 /nfs/dbraw/zinc/12/37/16/622123716.db2.gz YGXJXABVUZRGIV-PBHICJAKSA-N 2 1 305.441 3.353 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC2(CC2)CC1 ZINC000866475568 622124295 /nfs/dbraw/zinc/12/42/95/622124295.db2.gz CMJQSOGXFRFRGX-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866562251 622138320 /nfs/dbraw/zinc/13/83/20/622138320.db2.gz QLYJXUOSSNVADV-FQEVSTJZSA-N 2 1 319.537 3.248 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000866634210 622150922 /nfs/dbraw/zinc/15/09/22/622150922.db2.gz CAKPGQWGDYBWJK-CKEIUWERSA-N 2 1 301.434 3.381 20 0 DGADMP Clc1cncc(Cl)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866665911 622154364 /nfs/dbraw/zinc/15/43/64/622154364.db2.gz KNHHHPCKAMKMLP-LBPRGKRZSA-N 2 1 314.260 3.210 20 0 DGADMP COC(=O)c1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)s1 ZINC000866707022 622158626 /nfs/dbraw/zinc/15/86/26/622158626.db2.gz LCYLWXHXTDGLGW-QGZVFWFLSA-N 2 1 324.490 3.040 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000866706246 622158901 /nfs/dbraw/zinc/15/89/01/622158901.db2.gz GTKYTSCRTGMEOJ-OAHLLOKOSA-N 2 1 315.383 3.297 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000765977583 622298199 /nfs/dbraw/zinc/29/81/99/622298199.db2.gz QSJARESISCRPGY-CVEARBPZSA-N 2 1 308.491 3.432 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000766137200 622308712 /nfs/dbraw/zinc/30/87/12/622308712.db2.gz FBWMRKLMNJPHDX-ZTFGCOKTSA-N 2 1 320.477 3.254 20 0 DGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000766272629 622316414 /nfs/dbraw/zinc/31/64/14/622316414.db2.gz ZTNKBUCSIXEIKW-WSTZPKSXSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766272629 622316417 /nfs/dbraw/zinc/31/64/17/622316417.db2.gz ZTNKBUCSIXEIKW-WSTZPKSXSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766272629 622316420 /nfs/dbraw/zinc/31/64/20/622316420.db2.gz ZTNKBUCSIXEIKW-WSTZPKSXSA-N 2 1 315.505 3.113 20 0 DGADMP CCCN1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000766509844 622335237 /nfs/dbraw/zinc/33/52/37/622335237.db2.gz BXNZHSAALOQQQT-UHFFFAOYSA-N 2 1 307.526 3.248 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2)cc1 ZINC000129222699 625559849 /nfs/dbraw/zinc/55/98/49/625559849.db2.gz XJPFNUWSYWVSRA-ICSRJNTNSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2)cc1 ZINC000129222699 625559859 /nfs/dbraw/zinc/55/98/59/625559859.db2.gz XJPFNUWSYWVSRA-ICSRJNTNSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2)cc1 ZINC000129222699 625559867 /nfs/dbraw/zinc/55/98/67/625559867.db2.gz XJPFNUWSYWVSRA-ICSRJNTNSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2)cc1 ZINC000129222699 625559872 /nfs/dbraw/zinc/55/98/72/625559872.db2.gz XJPFNUWSYWVSRA-ICSRJNTNSA-N 2 1 324.472 3.232 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767459285 622400357 /nfs/dbraw/zinc/40/03/57/622400357.db2.gz UANZCZFKRNGUBR-AWEZNQCLSA-N 2 1 322.412 3.361 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000768545730 622464018 /nfs/dbraw/zinc/46/40/18/622464018.db2.gz CIMOZOWWVOBBND-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000768545730 622464020 /nfs/dbraw/zinc/46/40/20/622464020.db2.gz CIMOZOWWVOBBND-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000768545730 622464024 /nfs/dbraw/zinc/46/40/24/622464024.db2.gz CIMOZOWWVOBBND-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000768545730 622464026 /nfs/dbraw/zinc/46/40/26/622464026.db2.gz CIMOZOWWVOBBND-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP Cc1c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000769402943 622525085 /nfs/dbraw/zinc/52/50/85/622525085.db2.gz AWTDNBLHZYLXBC-AWEZNQCLSA-N 2 1 318.490 3.000 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000769402943 622525087 /nfs/dbraw/zinc/52/50/87/622525087.db2.gz AWTDNBLHZYLXBC-AWEZNQCLSA-N 2 1 318.490 3.000 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[NH+]1CCCCCC1 ZINC000871796365 622700319 /nfs/dbraw/zinc/70/03/19/622700319.db2.gz RQDZWWBBWILMLJ-FFHGMXDLSA-N 2 1 304.438 3.005 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872051996 622776935 /nfs/dbraw/zinc/77/69/35/622776935.db2.gz MAJFUAHONSGTLC-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000872066802 622786950 /nfs/dbraw/zinc/78/69/50/622786950.db2.gz QTDMBSAUDYBPIO-KBPBESRZSA-N 2 1 310.404 3.198 20 0 DGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000872066802 622786951 /nfs/dbraw/zinc/78/69/51/622786951.db2.gz QTDMBSAUDYBPIO-KBPBESRZSA-N 2 1 310.404 3.198 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131688 622825444 /nfs/dbraw/zinc/82/54/44/622825444.db2.gz ZORUDXARJQPXOD-UBHSHLNASA-N 2 1 313.367 3.378 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131688 622825448 /nfs/dbraw/zinc/82/54/48/622825448.db2.gz ZORUDXARJQPXOD-UBHSHLNASA-N 2 1 313.367 3.378 20 0 DGADMP CC1(C)CCc2onc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c2C1 ZINC000872142801 622831862 /nfs/dbraw/zinc/83/18/62/622831862.db2.gz DYMJOCKADKHNCT-INIZCTEOSA-N 2 1 317.477 3.154 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000872146444 622833206 /nfs/dbraw/zinc/83/32/06/622833206.db2.gz NSFXNBRPYUAVMH-MRXNPFEDSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146444 622833209 /nfs/dbraw/zinc/83/32/09/622833209.db2.gz NSFXNBRPYUAVMH-MRXNPFEDSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146444 622833214 /nfs/dbraw/zinc/83/32/14/622833214.db2.gz NSFXNBRPYUAVMH-MRXNPFEDSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149581 622833641 /nfs/dbraw/zinc/83/36/41/622833641.db2.gz OSXIHEFHKKETBC-HIFRSBDPSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149581 622833647 /nfs/dbraw/zinc/83/36/47/622833647.db2.gz OSXIHEFHKKETBC-HIFRSBDPSA-N 2 1 316.367 3.043 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCCCCC[NH3+])cc2)n1 ZINC000872155057 622834847 /nfs/dbraw/zinc/83/48/47/622834847.db2.gz AYFLBWXPFNNNTM-UHFFFAOYSA-N 2 1 314.477 3.440 20 0 DGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155125 622834933 /nfs/dbraw/zinc/83/49/33/622834933.db2.gz LRMNVMDDOFIWLH-INIZCTEOSA-N 2 1 305.466 3.081 20 0 DGADMP Cc1noc([C@H](C)[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156308 622836067 /nfs/dbraw/zinc/83/60/67/622836067.db2.gz HQNOJXGHUDWRRV-JGGQBBKZSA-N 2 1 306.454 3.059 20 0 DGADMP CCc1nocc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156002 622836420 /nfs/dbraw/zinc/83/64/20/622836420.db2.gz CHCUKLNQDNCZFS-RHSMWYFYSA-N 2 1 305.466 3.357 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nc(C)n1 ZINC000872157519 622838340 /nfs/dbraw/zinc/83/83/40/622838340.db2.gz PFJLFKXBKNYVOY-VQIMIIECSA-N 2 1 316.493 3.213 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@H](C)C1 ZINC000772950239 622956252 /nfs/dbraw/zinc/95/62/52/622956252.db2.gz HENWGQTVFQUDIN-CVEARBPZSA-N 2 1 316.555 3.245 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000872724829 622961028 /nfs/dbraw/zinc/96/10/28/622961028.db2.gz YDEXLGAZJQYVJW-ZBFHGGJFSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000872724829 622961033 /nfs/dbraw/zinc/96/10/33/622961033.db2.gz YDEXLGAZJQYVJW-ZBFHGGJFSA-N 2 1 313.470 3.354 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000872724829 622961038 /nfs/dbraw/zinc/96/10/38/622961038.db2.gz YDEXLGAZJQYVJW-ZBFHGGJFSA-N 2 1 313.470 3.354 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872781355 622977547 /nfs/dbraw/zinc/97/75/47/622977547.db2.gz SHYNAWBGFFFRHQ-DLBZAZTESA-N 2 1 315.392 3.055 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000872781355 622977551 /nfs/dbraw/zinc/97/75/51/622977551.db2.gz SHYNAWBGFFFRHQ-DLBZAZTESA-N 2 1 315.392 3.055 20 0 DGADMP CC[N@@H+](CCC1CCN(CC[NH+]2CCCC2)CC1)CC(C)C ZINC000773732721 623064661 /nfs/dbraw/zinc/06/46/61/623064661.db2.gz GYHKIAKEXZHIBQ-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP CC[N@H+](CCC1CC[NH+](CCN2CCCC2)CC1)CC(C)C ZINC000773732721 623064669 /nfs/dbraw/zinc/06/46/69/623064669.db2.gz GYHKIAKEXZHIBQ-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCN2CCCC2)CC1)CC(C)C ZINC000773732721 623064673 /nfs/dbraw/zinc/06/46/73/623064673.db2.gz GYHKIAKEXZHIBQ-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CC[C@H](C)C1 ZINC000873209874 623075563 /nfs/dbraw/zinc/07/55/63/623075563.db2.gz UWVBCWPLHZLFRN-ZFWWWQNUSA-N 2 1 308.491 3.031 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221172 623078745 /nfs/dbraw/zinc/07/87/45/623078745.db2.gz OCHFZXAZPBRZKH-QKLQHJQFSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221172 623078754 /nfs/dbraw/zinc/07/87/54/623078754.db2.gz OCHFZXAZPBRZKH-QKLQHJQFSA-N 3 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000873222893 623080291 /nfs/dbraw/zinc/08/02/91/623080291.db2.gz DLADZAVNLGNTBH-LJQANCHMSA-N 2 1 318.461 3.045 20 0 DGADMP CCCOc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873227112 623080973 /nfs/dbraw/zinc/08/09/73/623080973.db2.gz HENGGNQITGXSLS-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873227112 623080980 /nfs/dbraw/zinc/08/09/80/623080980.db2.gz HENGGNQITGXSLS-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000873223932 623081405 /nfs/dbraw/zinc/08/14/05/623081405.db2.gz VCZODPOCOXJKAM-QGZVFWFLSA-N 2 1 307.507 3.219 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000873223932 623081410 /nfs/dbraw/zinc/08/14/10/623081410.db2.gz VCZODPOCOXJKAM-QGZVFWFLSA-N 2 1 307.507 3.219 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000873223931 623081623 /nfs/dbraw/zinc/08/16/23/623081623.db2.gz VCZODPOCOXJKAM-KRWDZBQOSA-N 2 1 307.507 3.219 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000873223931 623081628 /nfs/dbraw/zinc/08/16/28/623081628.db2.gz VCZODPOCOXJKAM-KRWDZBQOSA-N 2 1 307.507 3.219 20 0 DGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227421 623081869 /nfs/dbraw/zinc/08/18/69/623081869.db2.gz GTKZPKMJZIIKBZ-SMDDNHRTSA-N 2 1 312.335 3.310 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000873229100 623082863 /nfs/dbraw/zinc/08/28/63/623082863.db2.gz XBXYZYKKVPYHLH-DGCLKSJQSA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000873229100 623082867 /nfs/dbraw/zinc/08/28/67/623082867.db2.gz XBXYZYKKVPYHLH-DGCLKSJQSA-N 2 1 314.376 3.470 20 0 DGADMP Cc1csc([C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000873228331 623082962 /nfs/dbraw/zinc/08/29/62/623082962.db2.gz RWFVOXHUYBMVGZ-LBPRGKRZSA-N 2 1 319.499 3.148 20 0 DGADMP CCn1nccc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232256 623085224 /nfs/dbraw/zinc/08/52/24/623085224.db2.gz NTMQUQYSWOZOTE-YJBOKZPZSA-N 2 1 304.482 3.023 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283286 623103152 /nfs/dbraw/zinc/10/31/52/623103152.db2.gz PXQFQLPYHQNYPJ-CABZTGNLSA-N 2 1 321.774 3.232 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000774402708 623140294 /nfs/dbraw/zinc/14/02/94/623140294.db2.gz FTBDRNBERPNZOK-SECBINFHSA-N 2 1 313.232 3.431 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000774407737 623140948 /nfs/dbraw/zinc/14/09/48/623140948.db2.gz DBEQMPLGOYAGIZ-KURKYZTESA-N 2 1 322.880 3.490 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000774407737 623140950 /nfs/dbraw/zinc/14/09/50/623140950.db2.gz DBEQMPLGOYAGIZ-KURKYZTESA-N 2 1 322.880 3.490 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000774682134 623175704 /nfs/dbraw/zinc/17/57/04/623175704.db2.gz FVQJHJMJESDRTE-XOKHGSTOSA-N 2 1 310.869 3.036 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775365063 623260303 /nfs/dbraw/zinc/26/03/03/623260303.db2.gz ONCABRNMMWRVMV-KLHDSHLOSA-N 2 1 314.564 3.220 20 0 DGADMP O[C@@H](C[NH2+]C1(c2cccc(Cl)c2)CCCC1)C[NH+]1CCCC1 ZINC000775539390 623286874 /nfs/dbraw/zinc/28/68/74/623286874.db2.gz SFQMIKUMODLXPP-KRWDZBQOSA-N 2 1 322.880 3.156 20 0 DGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000778806897 623698095 /nfs/dbraw/zinc/69/80/95/623698095.db2.gz GUIGRWDUKDATQP-QGZVFWFLSA-N 2 1 321.465 3.025 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000876913764 623743051 /nfs/dbraw/zinc/74/30/51/623743051.db2.gz KSAKCXNNDJSRHN-YWZLYKJASA-N 2 1 304.415 3.175 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876932597 623748067 /nfs/dbraw/zinc/74/80/67/623748067.db2.gz PXTALXHKMKZSGJ-KQDGPHEJSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000876932597 623748073 /nfs/dbraw/zinc/74/80/73/623748073.db2.gz PXTALXHKMKZSGJ-KQDGPHEJSA-N 2 1 318.442 3.419 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC[P@](C)(=O)OCC)C1 ZINC000876963894 623756402 /nfs/dbraw/zinc/75/64/02/623756402.db2.gz JYXDCGBRHSVVMZ-STXHMFSFSA-N 2 1 304.415 3.031 20 0 DGADMP COc1c(C)cnc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000877115888 623793867 /nfs/dbraw/zinc/79/38/67/623793867.db2.gz VPAFTAWWVBLGBP-QGZVFWFLSA-N 2 1 319.493 3.165 20 0 DGADMP COc1c(C)cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000877115888 623793872 /nfs/dbraw/zinc/79/38/72/623793872.db2.gz VPAFTAWWVBLGBP-QGZVFWFLSA-N 2 1 319.493 3.165 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780293322 623906619 /nfs/dbraw/zinc/90/66/19/623906619.db2.gz SDMDMONMBWMNIX-OALUTQOASA-N 2 1 316.489 3.149 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531051 623927820 /nfs/dbraw/zinc/92/78/20/623927820.db2.gz IOVMFHQGJATSIN-SMDDNHRTSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531051 623927825 /nfs/dbraw/zinc/92/78/25/623927825.db2.gz IOVMFHQGJATSIN-SMDDNHRTSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531051 623927830 /nfs/dbraw/zinc/92/78/30/623927830.db2.gz IOVMFHQGJATSIN-SMDDNHRTSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531051 623927834 /nfs/dbraw/zinc/92/78/34/623927834.db2.gz IOVMFHQGJATSIN-SMDDNHRTSA-N 2 1 307.825 3.253 20 0 DGADMP CCc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)s1 ZINC000877665435 623984091 /nfs/dbraw/zinc/98/40/91/623984091.db2.gz VLTFEDPJEMTPMX-UHFFFAOYSA-N 2 1 310.507 3.101 20 0 DGADMP COCC[N@H+](Cc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000877665358 623984433 /nfs/dbraw/zinc/98/44/33/623984433.db2.gz SDSQRIDVUQYRRK-UHFFFAOYSA-N 2 1 310.869 3.130 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737445 624010819 /nfs/dbraw/zinc/01/08/19/624010819.db2.gz GFJJGJPCOPMQQF-HZPDHXFCSA-N 2 1 312.379 3.317 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737445 624010822 /nfs/dbraw/zinc/01/08/22/624010822.db2.gz GFJJGJPCOPMQQF-HZPDHXFCSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737445 624010823 /nfs/dbraw/zinc/01/08/23/624010823.db2.gz GFJJGJPCOPMQQF-HZPDHXFCSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737445 624010826 /nfs/dbraw/zinc/01/08/26/624010826.db2.gz GFJJGJPCOPMQQF-HZPDHXFCSA-N 2 1 312.379 3.317 20 0 DGADMP CC(C)C[N@H+](Cc1ccc2c(n1)CCC2)CC1CC[NH+](C)CC1 ZINC000877767179 624027956 /nfs/dbraw/zinc/02/79/56/624027956.db2.gz BBIPUKYUHIAAEY-UHFFFAOYSA-N 2 1 315.505 3.370 20 0 DGADMP CC(C)C[N@H+](Cc1nc2c(s1)CCC2)CC1CC[NH+](C)CC1 ZINC000877767444 624028424 /nfs/dbraw/zinc/02/84/24/624028424.db2.gz JMKALGBFSFBZOT-UHFFFAOYSA-N 2 1 321.534 3.432 20 0 DGADMP CC(C)C[N@H+](Cc1nccn1C(C)C)CC1CC[NH+](C)CC1 ZINC000877767607 624028615 /nfs/dbraw/zinc/02/86/15/624028615.db2.gz PEYZDPHWRXDVJA-UHFFFAOYSA-N 2 1 306.498 3.264 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000877977155 624121549 /nfs/dbraw/zinc/12/15/49/624121549.db2.gz UMYJSSNTPCIMFF-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)O2)cc1 ZINC000878123513 624178128 /nfs/dbraw/zinc/17/81/28/624178128.db2.gz APZRATLQMNXALL-SXLOBPIMSA-N 2 1 314.473 3.324 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000878163555 624196196 /nfs/dbraw/zinc/19/61/96/624196196.db2.gz UIWKNWDTYMKXAI-OQIJWPOYSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC[N@H+]1C ZINC000878163555 624196197 /nfs/dbraw/zinc/19/61/97/624196197.db2.gz UIWKNWDTYMKXAI-OQIJWPOYSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163555 624196198 /nfs/dbraw/zinc/19/61/98/624196198.db2.gz UIWKNWDTYMKXAI-OQIJWPOYSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163555 624196199 /nfs/dbraw/zinc/19/61/99/624196199.db2.gz UIWKNWDTYMKXAI-OQIJWPOYSA-N 2 1 302.462 3.321 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(N(C)C)c2)CC1 ZINC000782175959 624214600 /nfs/dbraw/zinc/21/46/00/624214600.db2.gz VEANJAJJJVUGAH-UHFFFAOYSA-N 2 1 318.509 3.092 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878328413 624246052 /nfs/dbraw/zinc/24/60/52/624246052.db2.gz HIXIVOOVEJLDLC-UHFFFAOYSA-N 2 1 305.466 3.107 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412597 624271051 /nfs/dbraw/zinc/27/10/51/624271051.db2.gz WFPTWGZJQYQLOZ-LZLYRXPVSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411191 624271165 /nfs/dbraw/zinc/27/11/65/624271165.db2.gz GPHFTYDCQJKLBA-LZLYRXPVSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412598 624271181 /nfs/dbraw/zinc/27/11/81/624271181.db2.gz WFPTWGZJQYQLOZ-XYJFISCASA-N 2 1 308.510 3.434 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878513201 624295126 /nfs/dbraw/zinc/29/51/26/624295126.db2.gz XQTLNKGKYBTFNH-CEXWTWQISA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878662350 624334268 /nfs/dbraw/zinc/33/42/68/624334268.db2.gz OWPWVZDZHYYKCS-VAMGGRTRSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878662350 624334271 /nfs/dbraw/zinc/33/42/71/624334271.db2.gz OWPWVZDZHYYKCS-VAMGGRTRSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000878662350 624334274 /nfs/dbraw/zinc/33/42/74/624334274.db2.gz OWPWVZDZHYYKCS-VAMGGRTRSA-N 2 1 314.473 3.324 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)OC1 ZINC000878668295 624335866 /nfs/dbraw/zinc/33/58/66/624335866.db2.gz RCYAGIPKVHCWEE-LJQANCHMSA-N 2 1 316.489 3.446 20 0 DGADMP C=C/C=C/CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019117 624409109 /nfs/dbraw/zinc/40/91/09/624409109.db2.gz OTEZKEMIVFHWNV-GHOSXJJBSA-N 2 1 315.461 3.119 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245444 624460174 /nfs/dbraw/zinc/46/01/74/624460174.db2.gz XVXYWWNTNKVBSR-MOPGFXCFSA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245444 624460175 /nfs/dbraw/zinc/46/01/75/624460175.db2.gz XVXYWWNTNKVBSR-MOPGFXCFSA-N 2 1 313.445 3.170 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000879285926 624484421 /nfs/dbraw/zinc/48/44/21/624484421.db2.gz FIWYGHSQQVCHGC-MRXNPFEDSA-N 2 1 316.445 3.272 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569083 624593980 /nfs/dbraw/zinc/59/39/80/624593980.db2.gz IZOWQSQHCHPHGO-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569083 624593982 /nfs/dbraw/zinc/59/39/82/624593982.db2.gz IZOWQSQHCHPHGO-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569083 624593985 /nfs/dbraw/zinc/59/39/85/624593985.db2.gz IZOWQSQHCHPHGO-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569083 624593992 /nfs/dbraw/zinc/59/39/92/624593992.db2.gz IZOWQSQHCHPHGO-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000879569083 624593998 /nfs/dbraw/zinc/59/39/98/624593998.db2.gz IZOWQSQHCHPHGO-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C ZINC000879573125 624596644 /nfs/dbraw/zinc/59/66/44/624596644.db2.gz UGNHDZCTKNIMRF-MJGOQNOKSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC000879573125 624596649 /nfs/dbraw/zinc/59/66/49/624596649.db2.gz UGNHDZCTKNIMRF-MJGOQNOKSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC000879573125 624596654 /nfs/dbraw/zinc/59/66/54/624596654.db2.gz UGNHDZCTKNIMRF-MJGOQNOKSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920390 624722106 /nfs/dbraw/zinc/72/21/06/624722106.db2.gz ZEXANMGGBWDBCN-INIZCTEOSA-N 2 1 315.465 3.308 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920390 624722110 /nfs/dbraw/zinc/72/21/10/624722110.db2.gz ZEXANMGGBWDBCN-INIZCTEOSA-N 2 1 315.465 3.308 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879920390 624722114 /nfs/dbraw/zinc/72/21/14/624722114.db2.gz ZEXANMGGBWDBCN-INIZCTEOSA-N 2 1 315.465 3.308 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879920390 624722119 /nfs/dbraw/zinc/72/21/19/624722119.db2.gz ZEXANMGGBWDBCN-INIZCTEOSA-N 2 1 315.465 3.308 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000879950790 624730644 /nfs/dbraw/zinc/73/06/44/624730644.db2.gz CMAFUXIBNMIWNB-QGZVFWFLSA-N 2 1 306.494 3.429 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000879950789 624730718 /nfs/dbraw/zinc/73/07/18/624730718.db2.gz CMAFUXIBNMIWNB-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880098837 624786947 /nfs/dbraw/zinc/78/69/47/624786947.db2.gz VIZKNGBKQFFPLC-DGCLKSJQSA-N 2 1 301.356 3.235 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880098837 624786952 /nfs/dbraw/zinc/78/69/52/624786952.db2.gz VIZKNGBKQFFPLC-DGCLKSJQSA-N 2 1 301.356 3.235 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786147611 624809370 /nfs/dbraw/zinc/80/93/70/624809370.db2.gz NYIUSMGTTJQPHC-ROUUACIJSA-N 2 1 306.494 3.332 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000786147611 624809378 /nfs/dbraw/zinc/80/93/78/624809378.db2.gz NYIUSMGTTJQPHC-ROUUACIJSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@H]1C[N@@H+](CCCCC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260621 624874722 /nfs/dbraw/zinc/87/47/22/624874722.db2.gz QRPRRWZNJCLHFG-KRWDZBQOSA-N 2 1 317.477 3.189 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](CCn3cc[nH+]c3C)C2(C)C)c1 ZINC000880285456 624888682 /nfs/dbraw/zinc/88/86/82/624888682.db2.gz SPTUQCKTRVGHGO-GOSISDBHSA-N 2 1 313.445 3.468 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2(C)C)c1 ZINC000880285456 624888685 /nfs/dbraw/zinc/88/86/85/624888685.db2.gz SPTUQCKTRVGHGO-GOSISDBHSA-N 2 1 313.445 3.468 20 0 DGADMP FC[C@@H]1CC[NH+](C[C@@H](C[N@@H+]2CC[C@H](CF)C2)c2ccccc2)C1 ZINC000880301460 624902454 /nfs/dbraw/zinc/90/24/54/624902454.db2.gz RAGMXIXSLWARFF-IZZQQSIFSA-N 2 1 322.443 3.353 20 0 DGADMP FC[C@@H]1CC[N@@H+](C[C@@H](C[NH+]2CC[C@H](CF)C2)c2ccccc2)C1 ZINC000880301460 624902458 /nfs/dbraw/zinc/90/24/58/624902458.db2.gz RAGMXIXSLWARFF-IZZQQSIFSA-N 2 1 322.443 3.353 20 0 DGADMP FC[C@@H]1CC[N@H+](C[C@@H](C[NH+]2CC[C@H](CF)C2)c2ccccc2)C1 ZINC000880301460 624902461 /nfs/dbraw/zinc/90/24/61/624902461.db2.gz RAGMXIXSLWARFF-IZZQQSIFSA-N 2 1 322.443 3.353 20 0 DGADMP Cc1ccc([C@@H](O)C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000880517398 624971109 /nfs/dbraw/zinc/97/11/09/624971109.db2.gz QAVXLTMQAHABNT-IBGZPJMESA-N 2 1 304.478 3.226 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC000788479774 625193556 /nfs/dbraw/zinc/19/35/56/625193556.db2.gz BTXDICXBSHXDTL-LJQANCHMSA-N 2 1 301.478 3.231 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000788479644 625193635 /nfs/dbraw/zinc/19/36/35/625193635.db2.gz YRANIYLEYLZSNK-UHFFFAOYSA-N 2 1 310.873 3.074 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000788479644 625193637 /nfs/dbraw/zinc/19/36/37/625193637.db2.gz YRANIYLEYLZSNK-UHFFFAOYSA-N 2 1 310.873 3.074 20 0 DGADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000788479316 625193694 /nfs/dbraw/zinc/19/36/94/625193694.db2.gz SEYHJPIQDDNMFU-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788485541 625195905 /nfs/dbraw/zinc/19/59/05/625195905.db2.gz MENZWHRZXZRZCQ-GOSISDBHSA-N 2 1 312.461 3.052 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788529323 625207027 /nfs/dbraw/zinc/20/70/27/625207027.db2.gz XZFNFSNOVOAUBV-HNNXBMFYSA-N 2 1 313.445 3.478 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595712 625224175 /nfs/dbraw/zinc/22/41/75/625224175.db2.gz VCILGKLEPMKPQJ-DZGCQCFKSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595712 625224177 /nfs/dbraw/zinc/22/41/77/625224177.db2.gz VCILGKLEPMKPQJ-DZGCQCFKSA-N 2 1 307.869 3.432 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000788816133 625273603 /nfs/dbraw/zinc/27/36/03/625273603.db2.gz QAMKNAOYIXMFAQ-YSIASYRMSA-N 2 1 316.489 3.446 20 0 DGADMP c1cc2[nH+]ccc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2s1 ZINC000882726144 625800538 /nfs/dbraw/zinc/80/05/38/625800538.db2.gz LLOZELLZPJSGLT-AWEZNQCLSA-N 2 1 317.458 3.034 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000882817992 625826431 /nfs/dbraw/zinc/82/64/31/625826431.db2.gz WRKPJYROEQQXOT-UHFFFAOYSA-N 2 1 313.449 3.193 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000882817434 625826448 /nfs/dbraw/zinc/82/64/48/625826448.db2.gz CACRLCGQEFETNE-UHFFFAOYSA-N 2 1 302.466 3.328 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1C ZINC000883122140 625934036 /nfs/dbraw/zinc/93/40/36/625934036.db2.gz CGZXQOCSTPMNGO-HNNXBMFYSA-N 2 1 313.445 3.128 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000883135654 625939951 /nfs/dbraw/zinc/93/99/51/625939951.db2.gz KCDFFXHKPYKEND-AYHJJNSGSA-N 2 1 316.489 3.473 20 0 DGADMP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1sccc1Cl ZINC000883187950 625961384 /nfs/dbraw/zinc/96/13/84/625961384.db2.gz ZZFSLJZQHCKQQJ-TZMCWYRMSA-N 2 1 315.914 3.078 20 0 DGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000796692889 626074244 /nfs/dbraw/zinc/07/42/44/626074244.db2.gz HKDAOLIUASTBHN-QRVBRYPASA-N 2 1 302.462 3.436 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178971 626277823 /nfs/dbraw/zinc/27/78/23/626277823.db2.gz UXYNHXBFRNMIGM-UHFFFAOYSA-N 2 1 316.489 3.436 20 0 DGADMP Cc1ccccc1OCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178125 626278120 /nfs/dbraw/zinc/27/81/20/626278120.db2.gz MCZNFFSBFRTOLK-UHFFFAOYSA-N 2 1 302.462 3.182 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998468 626342252 /nfs/dbraw/zinc/34/22/52/626342252.db2.gz ZRUTUMMWGIQWQZ-CPUCHLNUSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998468 626342255 /nfs/dbraw/zinc/34/22/55/626342255.db2.gz ZRUTUMMWGIQWQZ-CPUCHLNUSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998468 626342258 /nfs/dbraw/zinc/34/22/58/626342258.db2.gz ZRUTUMMWGIQWQZ-CPUCHLNUSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000799998468 626342259 /nfs/dbraw/zinc/34/22/59/626342259.db2.gz ZRUTUMMWGIQWQZ-CPUCHLNUSA-N 2 1 310.869 3.178 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000800346885 626353190 /nfs/dbraw/zinc/35/31/90/626353190.db2.gz LDZGBUMTCHCHAW-QAPCUYQASA-N 2 1 322.880 3.037 20 0 DGADMP CCSc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000883245754 626622390 /nfs/dbraw/zinc/62/23/90/626622390.db2.gz QUEPJGYQGRLXDT-QGZVFWFLSA-N 2 1 320.502 3.142 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H](C)C1 ZINC000883254828 626625336 /nfs/dbraw/zinc/62/53/36/626625336.db2.gz DKPQSXSKRXNGPF-CABCVRRESA-N 2 1 318.452 3.148 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883315279 626643356 /nfs/dbraw/zinc/64/33/56/626643356.db2.gz FEFVTZAHTOXCTE-QRVBRYPASA-N 2 1 314.473 3.198 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000883315279 626643360 /nfs/dbraw/zinc/64/33/60/626643360.db2.gz FEFVTZAHTOXCTE-QRVBRYPASA-N 2 1 314.473 3.198 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000883320028 626646009 /nfs/dbraw/zinc/64/60/09/626646009.db2.gz YDXJJPBYISBIQP-ZRBGYOJFSA-N 2 1 316.489 3.444 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](C)C1 ZINC000883322771 626647406 /nfs/dbraw/zinc/64/74/06/626647406.db2.gz UQCYZYCSFTYPHS-LTFXXXRZSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416304 626677716 /nfs/dbraw/zinc/67/77/16/626677716.db2.gz RIGWHVXWUPMHED-DSLXNQLJSA-N 2 1 302.462 3.499 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416304 626677717 /nfs/dbraw/zinc/67/77/17/626677717.db2.gz RIGWHVXWUPMHED-DSLXNQLJSA-N 2 1 302.462 3.499 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424141 626679363 /nfs/dbraw/zinc/67/93/63/626679363.db2.gz HZBHSDJBMQUTHY-UHFFFAOYSA-N 2 1 311.429 3.226 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883434923 626681151 /nfs/dbraw/zinc/68/11/51/626681151.db2.gz FAJGLGZPWRXDQB-NMLBUPMWSA-N 2 1 314.473 3.358 20 0 DGADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883434898 626681295 /nfs/dbraw/zinc/68/12/95/626681295.db2.gz DKOBZXORSSKBHZ-IRXDYDNUSA-N 2 1 308.510 3.292 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000883448254 626683784 /nfs/dbraw/zinc/68/37/84/626683784.db2.gz YXRFGVFIFXMQTK-GOSISDBHSA-N 2 1 307.526 3.107 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459857 626686183 /nfs/dbraw/zinc/68/61/83/626686183.db2.gz JAXKJOLTTIBJPD-MSOLQXFVSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459857 626686185 /nfs/dbraw/zinc/68/61/85/626686185.db2.gz JAXKJOLTTIBJPD-MSOLQXFVSA-N 2 1 300.446 3.125 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(Cn2cc(C)cnc2=S)CC1 ZINC000132907769 626749648 /nfs/dbraw/zinc/74/96/48/626749648.db2.gz GATHZSQGOYILGI-UHFFFAOYSA-N 2 1 322.522 3.322 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cn2cc(C)cnc2=S)CC1 ZINC000132907769 626749652 /nfs/dbraw/zinc/74/96/52/626749652.db2.gz GATHZSQGOYILGI-UHFFFAOYSA-N 2 1 322.522 3.322 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2cc(C)cnc2=S)CC1 ZINC000132907769 626749655 /nfs/dbraw/zinc/74/96/55/626749655.db2.gz GATHZSQGOYILGI-UHFFFAOYSA-N 2 1 322.522 3.322 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134931002 626893277 /nfs/dbraw/zinc/89/32/77/626893277.db2.gz MHQWXBSZCLQOSL-XLIONFOSSA-N 2 1 314.473 3.323 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000809735817 626943738 /nfs/dbraw/zinc/94/37/38/626943738.db2.gz UKAMSNYMERAVHX-INIZCTEOSA-N 2 1 318.461 3.152 20 0 DGADMP CC[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809738999 626944193 /nfs/dbraw/zinc/94/41/93/626944193.db2.gz SVTJCFLBIVFEKO-MOPGFXCFSA-N 2 1 304.478 3.385 20 0 DGADMP Cn1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c2ccccc21 ZINC000809738959 626944439 /nfs/dbraw/zinc/94/44/39/626944439.db2.gz RETQERSIHQKQOM-UHFFFAOYSA-N 2 1 322.456 3.267 20 0 DGADMP Cn1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c2ccccc21 ZINC000809738959 626944442 /nfs/dbraw/zinc/94/44/42/626944442.db2.gz RETQERSIHQKQOM-UHFFFAOYSA-N 2 1 322.456 3.267 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc4ccccc4c3)C2)CC1 ZINC000809754716 626947352 /nfs/dbraw/zinc/94/73/52/626947352.db2.gz AEFYYXFZSQXZOQ-IBGZPJMESA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+]1CCC([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809755051 626947645 /nfs/dbraw/zinc/94/76/45/626947645.db2.gz NSBFUJKZPBJQCS-HNNXBMFYSA-N 2 1 317.260 3.101 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000885924916 627061401 /nfs/dbraw/zinc/06/14/01/627061401.db2.gz YWDCJAXVCWVIPX-LSDHHAIUSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000885924916 627061406 /nfs/dbraw/zinc/06/14/06/627061406.db2.gz YWDCJAXVCWVIPX-LSDHHAIUSA-N 2 1 310.388 3.047 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCC(F)F ZINC000885927521 627061768 /nfs/dbraw/zinc/06/17/68/627061768.db2.gz SMUVLHLFJDYNPP-UHFFFAOYSA-N 2 1 309.360 3.015 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1OCC(F)F ZINC000885969344 627072669 /nfs/dbraw/zinc/07/26/69/627072669.db2.gz PECCBNSHXIHZBO-ZDUSSCGKSA-N 2 1 323.387 3.261 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1)CC1CC1 ZINC000886102929 627105612 /nfs/dbraw/zinc/10/56/12/627105612.db2.gz UUIDWWGPEINNHR-VQTJNVASSA-N 2 1 320.521 3.247 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000886151298 627113235 /nfs/dbraw/zinc/11/32/35/627113235.db2.gz GWTSHHLGLUNHOX-ZRNYENFQSA-N 2 1 316.489 3.269 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000886172034 627117274 /nfs/dbraw/zinc/11/72/74/627117274.db2.gz UVWUYCKYUVBTMB-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000886225798 627124183 /nfs/dbraw/zinc/12/41/83/627124183.db2.gz BXTNTGSEQGOMFC-WOJBJXKFSA-N 2 1 314.473 3.198 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000886503841 627154117 /nfs/dbraw/zinc/15/41/17/627154117.db2.gz HNQDQGRDTGWQKP-WMZOPIPTSA-N 2 1 306.498 3.361 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522889 627156624 /nfs/dbraw/zinc/15/66/24/627156624.db2.gz SLAMHVIJIVIFMR-IVMQYODDSA-N 3 1 318.509 3.214 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886593850 627169113 /nfs/dbraw/zinc/16/91/13/627169113.db2.gz ASSZMFXCPQQZBU-QGZVFWFLSA-N 2 1 312.392 3.250 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)[nH+]c1C ZINC000886659937 627183139 /nfs/dbraw/zinc/18/31/39/627183139.db2.gz YYKGGAXAZRJMKN-YESZJQIVSA-N 2 1 303.450 3.164 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000886776248 627203556 /nfs/dbraw/zinc/20/35/56/627203556.db2.gz AIAYPSKVQNUWFJ-WNRNVDISSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000886840019 627211202 /nfs/dbraw/zinc/21/12/02/627211202.db2.gz REFDJQLDRLCFDL-ROUUACIJSA-N 2 1 316.489 3.303 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000886870487 627211732 /nfs/dbraw/zinc/21/17/32/627211732.db2.gz ZDVQVYLGIWKOAM-IBGZPJMESA-N 2 1 311.429 3.307 20 0 DGADMP c1c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000886870487 627211734 /nfs/dbraw/zinc/21/17/34/627211734.db2.gz ZDVQVYLGIWKOAM-IBGZPJMESA-N 2 1 311.429 3.307 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872719 627212215 /nfs/dbraw/zinc/21/22/15/627212215.db2.gz ZJHWBJILBBNZGN-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887035794 627219020 /nfs/dbraw/zinc/21/90/20/627219020.db2.gz XJZLVSNQUTXZQK-KRWDZBQOSA-N 2 1 319.493 3.293 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887035794 627219022 /nfs/dbraw/zinc/21/90/22/627219022.db2.gz XJZLVSNQUTXZQK-KRWDZBQOSA-N 2 1 319.493 3.293 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056521 627620513 /nfs/dbraw/zinc/62/05/13/627620513.db2.gz DTDDQZRECMTDHS-DJIMGWMZSA-N 2 1 316.445 3.271 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056521 627620519 /nfs/dbraw/zinc/62/05/19/627620519.db2.gz DTDDQZRECMTDHS-DJIMGWMZSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056521 627620521 /nfs/dbraw/zinc/62/05/21/627620521.db2.gz DTDDQZRECMTDHS-DJIMGWMZSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056521 627620525 /nfs/dbraw/zinc/62/05/25/627620525.db2.gz DTDDQZRECMTDHS-DJIMGWMZSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815113135 627628642 /nfs/dbraw/zinc/62/86/42/627628642.db2.gz PWYDPFFVUZXFJE-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924685235 627667511 /nfs/dbraw/zinc/66/75/11/627667511.db2.gz HHYJDXVAEFROMW-NZSAHSFTSA-N 2 1 308.510 3.293 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000924688240 627668194 /nfs/dbraw/zinc/66/81/94/627668194.db2.gz SAXDLRSRANIGFN-HOTGVXAUSA-N 2 1 307.486 3.164 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)n1 ZINC000924697444 627669371 /nfs/dbraw/zinc/66/93/71/627669371.db2.gz TVPWFUJGEYSITI-RWMBFGLXSA-N 2 1 324.266 3.122 20 0 DGADMP CSC1CC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000924697489 627669456 /nfs/dbraw/zinc/66/94/56/627669456.db2.gz JJOOLOQXDDWRQK-UHFFFAOYSA-N 2 1 304.503 3.443 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924715752 627672245 /nfs/dbraw/zinc/67/22/45/627672245.db2.gz PNHCUWVYLAQDDS-HNNXBMFYSA-N 2 1 304.825 3.297 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cn1 ZINC000924724854 627673592 /nfs/dbraw/zinc/67/35/92/627673592.db2.gz SLFFQHMJHJHMOR-MQVJKMGUSA-N 2 1 314.458 3.092 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924751192 627676230 /nfs/dbraw/zinc/67/62/30/627676230.db2.gz JYECBOUKMWJPBN-ZHALLVOQSA-N 2 1 301.478 3.114 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cc1F ZINC000924778783 627679166 /nfs/dbraw/zinc/67/91/66/627679166.db2.gz YBXMBQWEQHFYKG-MCBXIFIFSA-N 2 1 317.408 3.080 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924856000 627688014 /nfs/dbraw/zinc/68/80/14/627688014.db2.gz ZWYRTVHWNPXPMD-FUHWJXTLSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000924856000 627688019 /nfs/dbraw/zinc/68/80/19/627688019.db2.gz ZWYRTVHWNPXPMD-FUHWJXTLSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924936509 627695037 /nfs/dbraw/zinc/69/50/37/627695037.db2.gz DPTIKCVAOYMWJS-ICSRJNTNSA-N 2 1 323.484 3.167 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ccnn2C2CCC2)C1 ZINC000924961454 627697618 /nfs/dbraw/zinc/69/76/18/627697618.db2.gz VWLUWDDJWWNVIY-HZPDHXFCSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2C2CCC2)C1 ZINC000924961454 627697624 /nfs/dbraw/zinc/69/76/24/627697624.db2.gz VWLUWDDJWWNVIY-HZPDHXFCSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2C2CCC2)C1 ZINC000924961454 627697627 /nfs/dbraw/zinc/69/76/27/627697627.db2.gz VWLUWDDJWWNVIY-HZPDHXFCSA-N 2 1 304.482 3.379 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000924957325 627698043 /nfs/dbraw/zinc/69/80/43/627698043.db2.gz GDCSNRSZQBDGID-FQEVSTJZSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925008509 627700387 /nfs/dbraw/zinc/70/03/87/627700387.db2.gz DDMLFLHPHOKBBA-RTWAWAEBSA-N 2 1 323.484 3.167 20 0 DGADMP COc1ccc2[nH]cc(CC[NH2+][C@@H](c3ccccc3)[C@H](C)[NH3+])c2c1 ZINC000925485180 627741358 /nfs/dbraw/zinc/74/13/58/627741358.db2.gz BPFLFUNFPWRLEP-VBKZILBWSA-N 2 1 323.440 3.397 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925507560 627743565 /nfs/dbraw/zinc/74/35/65/627743565.db2.gz AKUWUSILCWJEHZ-QLFBSQMISA-N 2 1 310.388 3.154 20 0 DGADMP C[C@H](N)[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541025 627750612 /nfs/dbraw/zinc/75/06/12/627750612.db2.gz GZYDRBXHYTXCQL-ACAXCVFMSA-N 2 1 315.505 3.462 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C12CCC2 ZINC000925546723 627751964 /nfs/dbraw/zinc/75/19/64/627751964.db2.gz MOIPUPDCYYNMLW-DLBZAZTESA-N 2 1 309.413 3.233 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559409 627754664 /nfs/dbraw/zinc/75/46/64/627754664.db2.gz UHHHEHYMSSLOKF-KURKYZTESA-N 2 1 307.526 3.009 20 0 DGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925567314 627755875 /nfs/dbraw/zinc/75/58/75/627755875.db2.gz BTASWUNMVKUKCF-SZMSUBJOSA-N 2 1 320.864 3.002 20 0 DGADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925580104 627758004 /nfs/dbraw/zinc/75/80/04/627758004.db2.gz KCKDUQNZPWNNTB-CQSZACIVSA-N 2 1 314.351 3.002 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(Br)CC2)C1 ZINC000925588729 627759299 /nfs/dbraw/zinc/75/92/99/627759299.db2.gz STBQDNWKISFMPU-KGLIPLIRSA-N 2 1 317.315 3.260 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)C12CCC2 ZINC000925607556 627762156 /nfs/dbraw/zinc/76/21/56/627762156.db2.gz VVOXQTNNQSPHPA-MSOLQXFVSA-N 2 1 323.440 3.020 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925615886 627763398 /nfs/dbraw/zinc/76/33/98/627763398.db2.gz ISSPKJSTEVMEEX-SCTDSRPQSA-N 2 1 303.494 3.033 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000925617582 627763794 /nfs/dbraw/zinc/76/37/94/627763794.db2.gz XLKXRUYXRBMSEA-AOIWGVFYSA-N 2 1 324.472 3.428 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620933 627764571 /nfs/dbraw/zinc/76/45/71/627764571.db2.gz DRDHKAXQHNUHGK-NZSAHSFTSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H](CCN[C@@H]2CC[NH2+]C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000925620933 627764573 /nfs/dbraw/zinc/76/45/73/627764573.db2.gz DRDHKAXQHNUHGK-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H](CCN[C@@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620933 627764575 /nfs/dbraw/zinc/76/45/75/627764575.db2.gz DRDHKAXQHNUHGK-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP CCCCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(C)n1 ZINC000925632304 627765429 /nfs/dbraw/zinc/76/54/29/627765429.db2.gz WJXYGZOMFMNQSV-MOPGFXCFSA-N 2 1 318.509 3.250 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCO2 ZINC000925643563 627768502 /nfs/dbraw/zinc/76/85/02/627768502.db2.gz FVGKNTAJENCJJZ-KZNAEPCWSA-N 2 1 318.436 3.407 20 0 DGADMP COc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647082 627769877 /nfs/dbraw/zinc/76/98/77/627769877.db2.gz XRSSYRHUHWESOQ-IAGOWNOFSA-N 2 1 306.425 3.092 20 0 DGADMP C[C@@H](CCN[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000925647914 627769929 /nfs/dbraw/zinc/76/99/29/627769929.db2.gz KIUGBXAMFXJPQD-HKUYNNGSSA-N 2 1 303.494 3.321 20 0 DGADMP c1cc2c(nc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CCCC2 ZINC000925660726 627772488 /nfs/dbraw/zinc/77/24/88/627772488.db2.gz SYNFDCMWGKKQKZ-ICSRJNTNSA-N 2 1 313.489 3.218 20 0 DGADMP [NH3+]CCC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccccc1 ZINC000925666599 627773864 /nfs/dbraw/zinc/77/38/64/627773864.db2.gz MXRKIXASSSTBNN-GOSISDBHSA-N 2 1 308.429 3.175 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C12CCC2 ZINC000925673846 627774815 /nfs/dbraw/zinc/77/48/15/627774815.db2.gz PDFPDGAJGTWPQP-WTGUMLROSA-N 2 1 322.452 3.321 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccnc2ccccc12)c1ccccc1 ZINC000925709426 627779719 /nfs/dbraw/zinc/77/97/19/627779719.db2.gz UJNDXMNJTWBZNG-MGPUTAFESA-N 2 1 305.425 3.455 20 0 DGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925734522 627784654 /nfs/dbraw/zinc/78/46/54/627784654.db2.gz AHOWWMHLHWEMPB-NEWSRXKRSA-N 2 1 314.473 3.439 20 0 DGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925735470 627785179 /nfs/dbraw/zinc/78/51/79/627785179.db2.gz GISPEUQMJFBAQM-XYPWUTKMSA-N 2 1 308.853 3.500 20 0 DGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777704 627793955 /nfs/dbraw/zinc/79/39/55/627793955.db2.gz GHJFOENSZUGSJF-GWCFXTLKSA-N 2 1 316.392 3.197 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(OC(F)F)c1 ZINC000925778114 627793964 /nfs/dbraw/zinc/79/39/64/627793964.db2.gz IDPQOYYTNKAOMG-CMPLNLGQSA-N 2 1 320.330 3.183 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc(C)c1F ZINC000925783468 627794867 /nfs/dbraw/zinc/79/48/67/627794867.db2.gz OVGMYXRADTUKHS-TZMCWYRMSA-N 2 1 300.368 3.338 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000925786912 627795541 /nfs/dbraw/zinc/79/55/41/627795541.db2.gz XWWZPOFZQHTNBD-BXUZGUMPSA-N 2 1 300.780 3.162 20 0 DGADMP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796265 627797184 /nfs/dbraw/zinc/79/71/84/627797184.db2.gz LQRNGKILGUSILU-GVDBMIGSSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819897 627800222 /nfs/dbraw/zinc/80/02/22/627800222.db2.gz ARPVSBUPZHZHAQ-OXHPOLQJSA-N 2 1 315.505 3.462 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])o1 ZINC000925838252 627803568 /nfs/dbraw/zinc/80/35/68/627803568.db2.gz KPDGLSQCYWSPNQ-SCLBCKFNSA-N 2 1 309.413 3.357 20 0 DGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)CC2)C1 ZINC000925845133 627805125 /nfs/dbraw/zinc/80/51/25/627805125.db2.gz XEOKYOFZYFHKRY-IJXRJRJASA-N 3 1 319.537 3.151 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926124114 627847853 /nfs/dbraw/zinc/84/78/53/627847853.db2.gz GFWZMMMBHCIRSU-LJQANCHMSA-N 2 1 314.473 3.066 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326187 627880053 /nfs/dbraw/zinc/88/00/53/627880053.db2.gz PLQJXYWJFFIBTR-MJGOQNOKSA-N 2 1 309.457 3.124 20 0 DGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926326334 627880244 /nfs/dbraw/zinc/88/02/44/627880244.db2.gz PPZWDQOWYDQBQY-KDOFPFPSSA-N 2 1 313.445 3.464 20 0 DGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326334 627880245 /nfs/dbraw/zinc/88/02/45/627880245.db2.gz PPZWDQOWYDQBQY-KDOFPFPSSA-N 2 1 313.445 3.464 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](C)O ZINC000926525275 627908964 /nfs/dbraw/zinc/90/89/64/627908964.db2.gz JNOPOOVNGHPVTL-MNIJEXPFSA-N 2 1 316.489 3.321 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926573049 627916382 /nfs/dbraw/zinc/91/63/82/627916382.db2.gz IYXIMRZUKJFJJI-ZIFCJYIRSA-N 2 1 301.478 3.114 20 0 DGADMP CC[C@@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635348 627924683 /nfs/dbraw/zinc/92/46/83/627924683.db2.gz NTDATLLDBQTEFC-FUMNGEBKSA-N 2 1 318.505 3.251 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccns1 ZINC000926635560 627925526 /nfs/dbraw/zinc/92/55/26/627925526.db2.gz OWCHXZCUSYMETR-IMJJTQAJSA-N 2 1 301.459 3.139 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccns1 ZINC000926635560 627925530 /nfs/dbraw/zinc/92/55/30/627925530.db2.gz OWCHXZCUSYMETR-IMJJTQAJSA-N 2 1 301.459 3.139 20 0 DGADMP Clc1ccnc2c1CC[C@@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737929 627943543 /nfs/dbraw/zinc/94/35/43/627943543.db2.gz HSSAFMCVIXZNAC-PBHICJAKSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737929 627943548 /nfs/dbraw/zinc/94/35/48/627943548.db2.gz HSSAFMCVIXZNAC-PBHICJAKSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737929 627943551 /nfs/dbraw/zinc/94/35/51/627943551.db2.gz HSSAFMCVIXZNAC-PBHICJAKSA-N 2 1 319.880 3.434 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739153 627944286 /nfs/dbraw/zinc/94/42/86/627944286.db2.gz OQZQWXPXFMPJSX-GOEBONIOSA-N 2 1 316.445 3.188 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c1OCO2 ZINC000926739153 627944289 /nfs/dbraw/zinc/94/42/89/627944289.db2.gz OQZQWXPXFMPJSX-GOEBONIOSA-N 2 1 316.445 3.188 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739450 627944507 /nfs/dbraw/zinc/94/45/07/627944507.db2.gz SFSKOYQUTGBEIX-NVXWUHKLSA-N 2 1 316.493 3.381 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739450 627944508 /nfs/dbraw/zinc/94/45/08/627944508.db2.gz SFSKOYQUTGBEIX-NVXWUHKLSA-N 2 1 316.493 3.381 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752912 627946648 /nfs/dbraw/zinc/94/66/48/627946648.db2.gz DJYFFETYLXVBLM-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752912 627946650 /nfs/dbraw/zinc/94/66/50/627946650.db2.gz DJYFFETYLXVBLM-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926752912 627946653 /nfs/dbraw/zinc/94/66/53/627946653.db2.gz DJYFFETYLXVBLM-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817896850 627955083 /nfs/dbraw/zinc/95/50/83/627955083.db2.gz WVUJIZJZANLACN-KFWWJZLASA-N 2 1 317.260 3.276 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897424 627955182 /nfs/dbraw/zinc/95/51/82/627955182.db2.gz OWBCEFHUPSJCCX-LPHOPBHVSA-N 3 1 307.526 3.009 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000817897404 627955197 /nfs/dbraw/zinc/95/51/97/627955197.db2.gz NUOHUUHMLFBBQD-JKSUJKDBSA-N 2 1 310.445 3.122 20 0 DGADMP O[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926791489 627955394 /nfs/dbraw/zinc/95/53/94/627955394.db2.gz DEPUNUQBXRSUOO-HLKUOHOZSA-N 2 1 314.473 3.075 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)c2ccccc21 ZINC000817905332 627957917 /nfs/dbraw/zinc/95/79/17/627957917.db2.gz FXTLIJYDWORNOL-PMPSAXMXSA-N 2 1 320.795 3.247 20 0 DGADMP C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1C[NH2+]C1 ZINC000817910407 627959687 /nfs/dbraw/zinc/95/96/87/627959687.db2.gz GEIKDHIRONZJDP-BTYIYWSLSA-N 2 1 322.452 3.299 20 0 DGADMP C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817928340 627963896 /nfs/dbraw/zinc/96/38/96/627963896.db2.gz UZJVSDRYVHFTRL-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000817960940 627976089 /nfs/dbraw/zinc/97/60/89/627976089.db2.gz URJQCIFWBFBDIT-AWEZNQCLSA-N 2 1 300.450 3.349 20 0 DGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC ZINC000817960377 627976219 /nfs/dbraw/zinc/97/62/19/627976219.db2.gz YJULWPJGMJETRH-YJBOKZPZSA-N 3 1 321.509 3.171 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1ccccc1 ZINC000817964641 627976950 /nfs/dbraw/zinc/97/69/50/627976950.db2.gz GWHJJKJSQYGYPR-KXBFYZLASA-N 2 1 312.461 3.221 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000818985801 628073800 /nfs/dbraw/zinc/07/38/00/628073800.db2.gz WKKJRPLSONPZIP-PBHICJAKSA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1c(F)cccc1F)C(C)C ZINC000819126361 628096044 /nfs/dbraw/zinc/09/60/44/628096044.db2.gz OLRWONFHIBTNRR-MRXNPFEDSA-N 2 1 314.420 3.097 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819182928 628107381 /nfs/dbraw/zinc/10/73/81/628107381.db2.gz SHCUEHQMZBGMSG-QAPCUYQASA-N 2 1 324.896 3.331 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819366746 628142323 /nfs/dbraw/zinc/14/23/23/628142323.db2.gz UHWDDOBBRWQSDN-JXFKEZNVSA-N 2 1 312.457 3.195 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820806688 628299017 /nfs/dbraw/zinc/29/90/17/628299017.db2.gz OIGBUVCIIJCKDJ-HNNXBMFYSA-N 3 1 301.478 3.026 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000821380298 628362191 /nfs/dbraw/zinc/36/21/91/628362191.db2.gz PMBTZZGOHMBUOF-XEVCZEQESA-N 2 1 316.489 3.398 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821380298 628362193 /nfs/dbraw/zinc/36/21/93/628362193.db2.gz PMBTZZGOHMBUOF-XEVCZEQESA-N 2 1 316.489 3.398 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821380298 628362196 /nfs/dbraw/zinc/36/21/96/628362196.db2.gz PMBTZZGOHMBUOF-XEVCZEQESA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659328 628475903 /nfs/dbraw/zinc/47/59/03/628475903.db2.gz OQQPWGYFOPBREW-UONOGXRCSA-N 2 1 323.308 3.003 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000824559249 628671072 /nfs/dbraw/zinc/67/10/72/628671072.db2.gz MQJTVPAIHRAYMC-SFHVURJKSA-N 2 1 324.509 3.020 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949069 629006888 /nfs/dbraw/zinc/00/68/88/629006888.db2.gz KIDGUTJTCDBSNC-GOSISDBHSA-N 2 1 301.478 3.034 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958047 629008095 /nfs/dbraw/zinc/00/80/95/629008095.db2.gz QEOIWHBGIXTXCN-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958047 629008098 /nfs/dbraw/zinc/00/80/98/629008098.db2.gz QEOIWHBGIXTXCN-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958047 629008101 /nfs/dbraw/zinc/00/81/01/629008101.db2.gz QEOIWHBGIXTXCN-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958047 629008103 /nfs/dbraw/zinc/00/81/03/629008103.db2.gz QEOIWHBGIXTXCN-ZIAGYGMSSA-N 2 1 305.293 3.234 20 0 DGADMP CS[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000830883279 629315215 /nfs/dbraw/zinc/31/52/15/629315215.db2.gz FGILSLLIYOJBKR-HZPDHXFCSA-N 2 1 316.580 3.421 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925485069 629548001 /nfs/dbraw/zinc/54/80/01/629548001.db2.gz APJVFGUDLNFPNN-MOPGFXCFSA-N 2 1 303.494 3.321 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925485069 629548006 /nfs/dbraw/zinc/54/80/06/629548006.db2.gz APJVFGUDLNFPNN-MOPGFXCFSA-N 2 1 303.494 3.321 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000840808811 630360931 /nfs/dbraw/zinc/36/09/31/630360931.db2.gz FHTIJURYXXACTQ-XLIONFOSSA-N 2 1 316.489 3.476 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841009945 630395280 /nfs/dbraw/zinc/39/52/80/630395280.db2.gz QYFPOHHHTUFBTE-GPMSIDNRSA-N 2 1 322.468 3.205 20 0 DGADMP [NH3+]CCCCCCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000842472507 630538705 /nfs/dbraw/zinc/53/87/05/630538705.db2.gz BTCSNWJQXMBFDL-LJQANCHMSA-N 2 1 304.478 3.268 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000842472920 630539482 /nfs/dbraw/zinc/53/94/82/630539482.db2.gz KWRMGOFVYIBQQC-GOSISDBHSA-N 2 1 317.477 3.023 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000842477618 630540265 /nfs/dbraw/zinc/54/02/65/630540265.db2.gz ZXYRUJLIEWUUHB-UHFFFAOYSA-N 2 1 322.396 3.348 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000842477618 630540269 /nfs/dbraw/zinc/54/02/69/630540269.db2.gz ZXYRUJLIEWUUHB-UHFFFAOYSA-N 2 1 322.396 3.348 20 0 DGADMP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000842766898 630573873 /nfs/dbraw/zinc/57/38/73/630573873.db2.gz WJKSDRYGHUKARN-SJORKVTESA-N 2 1 315.486 3.195 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000843128878 630617144 /nfs/dbraw/zinc/61/71/44/630617144.db2.gz YFUJAPHEADLDNA-LSDHHAIUSA-N 2 1 307.507 3.478 20 0 DGADMP Cc1nc(C(F)(F)F)c(C[N@H+](C)C2CCC([NH3+])CC2)s1 ZINC000843355064 630649454 /nfs/dbraw/zinc/64/94/54/630649454.db2.gz KWCMAWHMJYVUBG-UHFFFAOYSA-N 2 1 307.385 3.172 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000843363567 630649883 /nfs/dbraw/zinc/64/98/83/630649883.db2.gz WYZCISWLPQSTPF-UHFFFAOYSA-N 2 1 302.249 3.210 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000105425154 630709927 /nfs/dbraw/zinc/70/99/27/630709927.db2.gz SGNJYEAXJIVAQO-INIZCTEOSA-N 2 1 302.462 3.222 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)[C@H]2CCC[C@@H]21 ZINC000846214694 631215177 /nfs/dbraw/zinc/21/51/77/631215177.db2.gz LUMKNKWEPSYEJF-MQYQWHSLSA-N 2 1 305.293 3.423 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846218583 631215313 /nfs/dbraw/zinc/21/53/13/631215313.db2.gz ZLBDMYGCHMAVNS-UHFFFAOYSA-N 2 1 301.821 3.013 20 0 DGADMP [NH3+]CCCCCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000846219285 631215364 /nfs/dbraw/zinc/21/53/64/631215364.db2.gz MZYKCTVMTOBMRY-LJQANCHMSA-N 2 1 304.478 3.268 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000846218018 631215439 /nfs/dbraw/zinc/21/54/39/631215439.db2.gz ROIYKDJJAFDDEZ-UHFFFAOYSA-N 2 1 314.477 3.440 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846221102 631215631 /nfs/dbraw/zinc/21/56/31/631215631.db2.gz GQYKIGDMOSXNEE-KRWDZBQOSA-N 2 1 300.450 3.229 20 0 DGADMP Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CC[NH2+]C2)c1 ZINC000846223254 631215703 /nfs/dbraw/zinc/21/57/03/631215703.db2.gz VGEACIWRLNAFFU-CTNGQTDRSA-N 2 1 324.468 3.140 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc2ccccc2s1 ZINC000846854800 631329786 /nfs/dbraw/zinc/32/97/86/631329786.db2.gz XPMXIJZOYILLCL-GFCCVEGCSA-N 2 1 300.431 3.313 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000848886842 631772104 /nfs/dbraw/zinc/77/21/04/631772104.db2.gz IXZQWWTXSCRIHQ-UHFFFAOYSA-N 2 1 304.478 3.089 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000848886842 631772110 /nfs/dbraw/zinc/77/21/10/631772110.db2.gz IXZQWWTXSCRIHQ-UHFFFAOYSA-N 2 1 304.478 3.089 20 0 DGADMP CC(C)CNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989166 631798815 /nfs/dbraw/zinc/79/88/15/631798815.db2.gz CFQMHSXTFDAYIU-SJLPKXTDSA-N 2 1 316.493 3.057 20 0 DGADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000849041522 631815428 /nfs/dbraw/zinc/81/54/28/631815428.db2.gz ROQQANFLWJDIGH-HNNXBMFYSA-N 2 1 314.477 3.234 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000849053518 631820317 /nfs/dbraw/zinc/82/03/17/631820317.db2.gz QHMNVQLDMZNDLV-UHFFFAOYSA-N 2 1 324.472 3.131 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000849063517 631824197 /nfs/dbraw/zinc/82/41/97/631824197.db2.gz IIQDEDFPVSBHQW-OAHLLOKOSA-N 2 1 316.493 3.480 20 0 DGADMP CC(C)CCNC(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000849092521 631833849 /nfs/dbraw/zinc/83/38/49/631833849.db2.gz MTCRKTUFUWECCY-SFHVURJKSA-N 2 1 316.493 3.057 20 0 DGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350036 631900676 /nfs/dbraw/zinc/90/06/76/631900676.db2.gz IWBJSMVZVQGVML-GOSISDBHSA-N 2 1 309.457 3.446 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000849350563 631901959 /nfs/dbraw/zinc/90/19/59/631901959.db2.gz QITTWSYMQUHYQO-OAHLLOKOSA-N 2 1 307.507 3.478 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1cncc(OC)c1)C1CCCCC1 ZINC000850338857 632117898 /nfs/dbraw/zinc/11/78/98/632117898.db2.gz LBPFADHQZSOOFS-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1cncc(OC)c1)C1CCCCC1 ZINC000850338857 632117900 /nfs/dbraw/zinc/11/79/00/632117900.db2.gz LBPFADHQZSOOFS-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000850556744 632193142 /nfs/dbraw/zinc/19/31/42/632193142.db2.gz LQIFBDSCOCKHQW-GMXABZIVSA-N 2 1 317.260 3.099 20 0 DGADMP CC1(C)OC[C@@H](CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750265 632485283 /nfs/dbraw/zinc/48/52/83/632485283.db2.gz BZYCJHRMQFRIFX-ZWKOTPCHSA-N 2 1 324.509 3.116 20 0 DGADMP FC(F)OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000851881612 632513095 /nfs/dbraw/zinc/51/30/95/632513095.db2.gz MHQAFHNFQHJDNB-UHFFFAOYSA-N 2 1 324.415 3.214 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1csc2ccccc21 ZINC000851930819 632524283 /nfs/dbraw/zinc/52/42/83/632524283.db2.gz CZMJZQSXXZAKHR-UONOGXRCSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1csc2ccccc21 ZINC000851930819 632524288 /nfs/dbraw/zinc/52/42/88/632524288.db2.gz CZMJZQSXXZAKHR-UONOGXRCSA-N 2 1 306.475 3.253 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCOCc3ccccc3)C2)CC1 ZINC000852009138 632538338 /nfs/dbraw/zinc/53/83/38/632538338.db2.gz ZSOZJIPMMHVOTO-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP Cc1nc(C)c(CN2CCC[N@@H+](CC3CCCCC3)CC2)[nH]1 ZINC000929318588 661297174 /nfs/dbraw/zinc/29/71/74/661297174.db2.gz KTZAZSWBXBUEQB-UHFFFAOYSA-N 2 1 304.482 3.115 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209546 660724217 /nfs/dbraw/zinc/72/42/17/660724217.db2.gz BOGKNEIOTJZZQM-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cscc1Br ZINC000709979663 660931595 /nfs/dbraw/zinc/93/15/95/660931595.db2.gz JEFWQSBNJVQSKX-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000792968381 660997568 /nfs/dbraw/zinc/99/75/68/660997568.db2.gz GNHIUUYSEUOSFS-AABGKKOBSA-N 2 1 316.489 3.269 20 0 DGADMP CC(C)C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000792968381 660997571 /nfs/dbraw/zinc/99/75/71/660997571.db2.gz GNHIUUYSEUOSFS-AABGKKOBSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)n(C)n1 ZINC000793536741 661043000 /nfs/dbraw/zinc/04/30/00/661043000.db2.gz VCADPOFUDNYSFM-HNNXBMFYSA-N 2 1 304.482 3.176 20 0 DGADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000261556556 655651084 /nfs/dbraw/zinc/65/10/84/655651084.db2.gz WCDWJBBPHKIEJL-IBGZPJMESA-N 2 1 310.441 3.497 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1C ZINC000929780662 661337554 /nfs/dbraw/zinc/33/75/54/661337554.db2.gz MKOINEKADQHVJD-QPSCCSFWSA-N 2 1 322.415 3.291 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1C ZINC000929780662 661337558 /nfs/dbraw/zinc/33/75/58/661337558.db2.gz MKOINEKADQHVJD-QPSCCSFWSA-N 2 1 322.415 3.291 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H]3CC=CCC3)c2)CCO1 ZINC000121695608 655750613 /nfs/dbraw/zinc/75/06/13/655750613.db2.gz IZNLDONHWWXWFA-ROUUACIJSA-N 2 1 314.473 3.353 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CC=CCC3)c2)CCO1 ZINC000121695608 655750615 /nfs/dbraw/zinc/75/06/15/655750615.db2.gz IZNLDONHWWXWFA-ROUUACIJSA-N 2 1 314.473 3.353 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(CC2CCC2)c1 ZINC000934562976 655787402 /nfs/dbraw/zinc/78/74/02/655787402.db2.gz UGBNHPUSUAYJSM-MRXNPFEDSA-N 2 1 304.482 3.210 20 0 DGADMP C[C@H]1CCC[C@](C[NH2+]CC2CCC3(CC2)OCCO3)([NH+](C)C)C1 ZINC000795903076 661178431 /nfs/dbraw/zinc/17/84/31/661178431.db2.gz NEMFMCMWECVJCK-WMZOPIPTSA-N 2 1 324.509 3.020 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1C ZINC000929780661 661337820 /nfs/dbraw/zinc/33/78/20/661337820.db2.gz MKOINEKADQHVJD-CBBWQLFWSA-N 2 1 322.415 3.291 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1C ZINC000929780661 661337822 /nfs/dbraw/zinc/33/78/22/661337822.db2.gz MKOINEKADQHVJD-CBBWQLFWSA-N 2 1 322.415 3.291 20 0 DGADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000310284853 655893690 /nfs/dbraw/zinc/89/36/90/655893690.db2.gz QGWPPZFLYYLPIP-VQTJNVASSA-N 2 1 321.468 3.223 20 0 DGADMP C[C@@H](CSC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178037354 655953021 /nfs/dbraw/zinc/95/30/21/655953021.db2.gz NEVNTPHQQLFHEL-HRCADAONSA-N 2 1 316.555 3.386 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000309730326 656046329 /nfs/dbraw/zinc/04/63/29/656046329.db2.gz OSUHRIKPOZYZJM-IEBWSBKVSA-N 2 1 307.441 3.181 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000309730326 656046332 /nfs/dbraw/zinc/04/63/32/656046332.db2.gz OSUHRIKPOZYZJM-IEBWSBKVSA-N 2 1 307.441 3.181 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000309721442 656116789 /nfs/dbraw/zinc/11/67/89/656116789.db2.gz NWASWKZZKATBDI-UHFFFAOYSA-N 2 1 317.521 3.492 20 0 DGADMP C[N@H+](CCCCCCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000309721442 656116791 /nfs/dbraw/zinc/11/67/91/656116791.db2.gz NWASWKZZKATBDI-UHFFFAOYSA-N 3 1 317.521 3.492 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000309721442 656116794 /nfs/dbraw/zinc/11/67/94/656116794.db2.gz NWASWKZZKATBDI-UHFFFAOYSA-N 3 1 317.521 3.492 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)[NH+]1CCCC1 ZINC000236709350 656263002 /nfs/dbraw/zinc/26/30/02/656263002.db2.gz DHTSMFSRJNPZKV-QFBILLFUSA-N 2 1 304.478 3.423 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000931462936 656276516 /nfs/dbraw/zinc/27/65/16/656276516.db2.gz BAADCQYHUWVGIH-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313565451 656292392 /nfs/dbraw/zinc/29/23/92/656292392.db2.gz JFNUKOPGAXAUQI-QMMLZNLJSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338969 656591300 /nfs/dbraw/zinc/59/13/00/656591300.db2.gz FPDCTUBCEBAUIO-SUNKGSAMSA-N 2 1 302.340 3.315 20 0 DGADMP Clc1ccc2c(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000317777075 656675866 /nfs/dbraw/zinc/67/58/66/656675866.db2.gz RLWDRTLQRCGGLJ-KGLIPLIRSA-N 2 1 317.820 3.163 20 0 DGADMP Clc1ccc2c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000317777075 656675868 /nfs/dbraw/zinc/67/58/68/656675868.db2.gz RLWDRTLQRCGGLJ-KGLIPLIRSA-N 2 1 317.820 3.163 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028253891 656945863 /nfs/dbraw/zinc/94/58/63/656945863.db2.gz IVKASYMEHSVZRF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028253891 656945867 /nfs/dbraw/zinc/94/58/67/656945867.db2.gz IVKASYMEHSVZRF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028253891 656945870 /nfs/dbraw/zinc/94/58/70/656945870.db2.gz IVKASYMEHSVZRF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000261856208 657141520 /nfs/dbraw/zinc/14/15/20/657141520.db2.gz JYMWLPNPWASYRI-ZLIFDBKOSA-N 2 1 312.413 3.499 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000237127874 657146817 /nfs/dbraw/zinc/14/68/17/657146817.db2.gz KACZLHZQFRMKNK-IYBDPMFKSA-N 2 1 315.461 3.024 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000237127874 657146822 /nfs/dbraw/zinc/14/68/22/657146822.db2.gz KACZLHZQFRMKNK-IYBDPMFKSA-N 2 1 315.461 3.024 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000261981332 657271726 /nfs/dbraw/zinc/27/17/26/657271726.db2.gz IABIDBCQVMEVNE-UHFFFAOYSA-N 2 1 322.403 3.253 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562131 657638798 /nfs/dbraw/zinc/63/87/98/657638798.db2.gz ISPCTLAZANGBGN-WMLDXEAASA-N 2 1 310.869 3.037 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562131 657638804 /nfs/dbraw/zinc/63/88/04/657638804.db2.gz ISPCTLAZANGBGN-WMLDXEAASA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562131 657638810 /nfs/dbraw/zinc/63/88/10/657638810.db2.gz ISPCTLAZANGBGN-WMLDXEAASA-N 2 1 310.869 3.037 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000304562131 657638814 /nfs/dbraw/zinc/63/88/14/657638814.db2.gz ISPCTLAZANGBGN-WMLDXEAASA-N 2 1 310.869 3.037 20 0 DGADMP COCC1(CNc2cc[nH+]c3cc(Cl)ccc23)CC[NH2+]CC1 ZINC000262582410 657788688 /nfs/dbraw/zinc/78/86/88/657788688.db2.gz ZEEIODXATIBFJB-UHFFFAOYSA-N 2 1 319.836 3.316 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000320797537 657846109 /nfs/dbraw/zinc/84/61/09/657846109.db2.gz OYSZWQARUZDFKW-NTFDOXNWSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000320797537 657846119 /nfs/dbraw/zinc/84/61/19/657846119.db2.gz OYSZWQARUZDFKW-NTFDOXNWSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000320797540 657847102 /nfs/dbraw/zinc/84/71/02/657847102.db2.gz OYSZWQARUZDFKW-TUNPWDSISA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc(C2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000320797540 657847113 /nfs/dbraw/zinc/84/71/13/657847113.db2.gz OYSZWQARUZDFKW-TUNPWDSISA-N 2 1 314.473 3.166 20 0 DGADMP Cc1sc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000227822313 659166001 /nfs/dbraw/zinc/16/60/01/659166001.db2.gz DLFPZRRPWNNMEW-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP C([C@H]1CCCC2(CCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929286158 661294068 /nfs/dbraw/zinc/29/40/68/661294068.db2.gz IETNZJACJWIFMD-GOSISDBHSA-N 2 1 306.494 3.429 20 0 DGADMP Cc1[nH]c(CN2CCC[N@H+](CC3CCCCC3)CC2)c(C)[nH+]1 ZINC000929318588 661297176 /nfs/dbraw/zinc/29/71/76/661297176.db2.gz KTZAZSWBXBUEQB-UHFFFAOYSA-N 2 1 304.482 3.115 20 0 DGADMP Cc1[nH]c(CN2CCC[N@@H+](CC3CCCCC3)CC2)c(C)[nH+]1 ZINC000929318588 661297178 /nfs/dbraw/zinc/29/71/78/661297178.db2.gz KTZAZSWBXBUEQB-UHFFFAOYSA-N 2 1 304.482 3.115 20 0 DGADMP C([C@@H]1CC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1)[NH+]1CCCCC1 ZINC000929720106 661331956 /nfs/dbraw/zinc/33/19/56/661331956.db2.gz VKOOCPXOLBOQIB-ZWKOTPCHSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000929842883 661343990 /nfs/dbraw/zinc/34/39/90/661343990.db2.gz FECCNKIWPCYBNW-ZJPYXAASSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000929842883 661343992 /nfs/dbraw/zinc/34/39/92/661343992.db2.gz FECCNKIWPCYBNW-ZJPYXAASSA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC000929842883 661343995 /nfs/dbraw/zinc/34/39/95/661343995.db2.gz FECCNKIWPCYBNW-ZJPYXAASSA-N 2 1 320.427 3.451 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000930346874 661391114 /nfs/dbraw/zinc/39/11/14/661391114.db2.gz KFPMHPXJNUSHOY-GOSISDBHSA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000930346874 661391117 /nfs/dbraw/zinc/39/11/17/661391117.db2.gz KFPMHPXJNUSHOY-GOSISDBHSA-N 2 1 324.472 3.054 20 0 DGADMP COC/C(C)=C\C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000930374562 661392901 /nfs/dbraw/zinc/39/29/01/661392901.db2.gz XAKYZIPDFBLRDO-IJZIWBRISA-N 2 1 322.518 3.403 20 0 DGADMP COC/C(C)=C\C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000930374562 661392902 /nfs/dbraw/zinc/39/29/02/661392902.db2.gz XAKYZIPDFBLRDO-IJZIWBRISA-N 2 1 322.518 3.403 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1snnc1C ZINC000931271866 661463608 /nfs/dbraw/zinc/46/36/08/661463608.db2.gz NXVVWOHVKBLFBO-CQSZACIVSA-N 2 1 318.490 3.491 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1snnc1C ZINC000931271866 661463609 /nfs/dbraw/zinc/46/36/09/661463609.db2.gz NXVVWOHVKBLFBO-CQSZACIVSA-N 2 1 318.490 3.491 20 0 DGADMP Cc1ccccc1OCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931305103 661465486 /nfs/dbraw/zinc/46/54/86/661465486.db2.gz AHMUHFLYVONDAE-KDURUIRLSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931305103 661465488 /nfs/dbraw/zinc/46/54/88/661465488.db2.gz AHMUHFLYVONDAE-KDURUIRLSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305103 661465490 /nfs/dbraw/zinc/46/54/90/661465490.db2.gz AHMUHFLYVONDAE-KDURUIRLSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305103 661465491 /nfs/dbraw/zinc/46/54/91/661465491.db2.gz AHMUHFLYVONDAE-KDURUIRLSA-N 2 1 302.462 3.038 20 0 DGADMP C[N@@H+]1C[C@@]2(C)CN(CCSCc3ccccc3)C[C@@]2(C)C1 ZINC000931315069 661466438 /nfs/dbraw/zinc/46/64/38/661466438.db2.gz UAUUTIJETDJDBD-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP C[N@H+]1C[C@@]2(C)CN(CCSCc3ccccc3)C[C@@]2(C)C1 ZINC000931315069 661466439 /nfs/dbraw/zinc/46/64/39/661466439.db2.gz UAUUTIJETDJDBD-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCSCc3ccccc3)C[C@]2(C)C1 ZINC000931315069 661466443 /nfs/dbraw/zinc/46/64/43/661466443.db2.gz UAUUTIJETDJDBD-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+](CCSCc3ccccc3)C[C@]2(C)C1 ZINC000931315069 661466445 /nfs/dbraw/zinc/46/64/45/661466445.db2.gz UAUUTIJETDJDBD-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+](CCSCc3ccccc3)C[C@]2(C)C1 ZINC000931315069 661466447 /nfs/dbraw/zinc/46/64/47/661466447.db2.gz UAUUTIJETDJDBD-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCSCc3ccccc3)C[C@]2(C)C1 ZINC000931315069 661466449 /nfs/dbraw/zinc/46/64/49/661466449.db2.gz UAUUTIJETDJDBD-HDICACEKSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000931353110 661469830 /nfs/dbraw/zinc/46/98/30/661469830.db2.gz ALRJDQLATABVHG-QZTJIDSGSA-N 2 1 302.462 3.323 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000931355844 661470264 /nfs/dbraw/zinc/47/02/64/661470264.db2.gz BLCZSLCRGJUYAX-HZPDHXFCSA-N 2 1 308.416 3.451 20 0 DGADMP CCc1onc(C)c1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748136 661504973 /nfs/dbraw/zinc/50/49/73/661504973.db2.gz JEXVPUXZKOYSLM-UHFFFAOYSA-N 2 1 302.422 3.265 20 0 DGADMP Cc1[nH]c(C2CC[NH+](Cc3cnc(C4CC4)o3)CC2)[nH+]c1C ZINC000931749808 661505465 /nfs/dbraw/zinc/50/54/65/661505465.db2.gz VVHWIYZRNBRPAJ-UHFFFAOYSA-N 2 1 300.406 3.272 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933654559 661648587 /nfs/dbraw/zinc/64/85/87/661648587.db2.gz AZDMJXSDZIPKBA-HXUWFJFHSA-N 2 1 323.440 3.293 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933654559 661648588 /nfs/dbraw/zinc/64/85/88/661648588.db2.gz AZDMJXSDZIPKBA-HXUWFJFHSA-N 2 1 323.440 3.293 20 0 DGADMP Cn1cncc1CCC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000933926590 661666843 /nfs/dbraw/zinc/66/68/43/661666843.db2.gz DXDWFQUKXHZBNA-KRWDZBQOSA-N 2 1 317.408 3.035 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000933926590 661666845 /nfs/dbraw/zinc/66/68/45/661666845.db2.gz DXDWFQUKXHZBNA-KRWDZBQOSA-N 2 1 317.408 3.035 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000933926590 661666846 /nfs/dbraw/zinc/66/68/46/661666846.db2.gz DXDWFQUKXHZBNA-KRWDZBQOSA-N 2 1 317.408 3.035 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@@H](C)C1 ZINC000245917025 662243892 /nfs/dbraw/zinc/24/38/92/662243892.db2.gz GOQXMOYEHWCGSP-GOEBONIOSA-N 2 1 315.461 3.039 20 0 DGADMP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000380964051 685155143 /nfs/dbraw/zinc/15/51/43/685155143.db2.gz XVEPJTMCELOVPT-HSALFYBXSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@]1(C[N@@H+](CCC[NH3+])Cc2ccccc2)CC1(Cl)Cl ZINC001576501541 1191831838 /nfs/dbraw/zinc/83/18/38/1191831838.db2.gz WQPCVULGKLMDBV-AWEZNQCLSA-N 2 1 301.261 3.421 20 0 DGADMP CC(C)(C)n1cncc1[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576502382 1191832065 /nfs/dbraw/zinc/83/20/65/1191832065.db2.gz BQECUKMLRWXJEQ-VQIMIIECSA-N 2 1 318.509 3.207 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC001576574627 1191845915 /nfs/dbraw/zinc/84/59/15/1191845915.db2.gz VMPRFOIKPPYUPY-CBZIJGRNSA-N 2 1 323.525 3.004 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647432 1191857876 /nfs/dbraw/zinc/85/78/76/1191857876.db2.gz GGYWUSKPYCGHMK-RHQZKXFESA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[C@H](C)N1[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647432 1191857879 /nfs/dbraw/zinc/85/78/79/1191857879.db2.gz GGYWUSKPYCGHMK-RHQZKXFESA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[C@H](C)N1[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001576647432 1191857881 /nfs/dbraw/zinc/85/78/81/1191857881.db2.gz GGYWUSKPYCGHMK-RHQZKXFESA-N 2 1 307.526 3.089 20 0 DGADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001576669467 1191860661 /nfs/dbraw/zinc/86/06/61/1191860661.db2.gz QNGIFGNZWOHWON-KUHUBIRLSA-N 2 1 311.429 3.335 20 0 DGADMP C[C@@H]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001576671305 1191861373 /nfs/dbraw/zinc/86/13/73/1191861373.db2.gz XMRZIUPVQLDQRU-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC001576671305 1191861382 /nfs/dbraw/zinc/86/13/82/1191861382.db2.gz XMRZIUPVQLDQRU-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC001576694928 1191864329 /nfs/dbraw/zinc/86/43/29/1191864329.db2.gz VVYDIWLXGVBPEC-KRWDZBQOSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH2+]C2CC2)CC1 ZINC001576694928 1191864334 /nfs/dbraw/zinc/86/43/34/1191864334.db2.gz VVYDIWLXGVBPEC-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CCC[NH2+]C2CC2)CC1 ZINC001576694928 1191864341 /nfs/dbraw/zinc/86/43/41/1191864341.db2.gz VVYDIWLXGVBPEC-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001576749503 1191867456 /nfs/dbraw/zinc/86/74/56/1191867456.db2.gz QPXHMIYETQUCFM-JMSVASOKSA-N 2 1 316.367 3.104 20 0 DGADMP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001576961034 1191877260 /nfs/dbraw/zinc/87/72/60/1191877260.db2.gz QJPRJMIJEFUJTR-HXUWFJFHSA-N 2 1 312.457 3.309 20 0 DGADMP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001576981608 1191878339 /nfs/dbraw/zinc/87/83/39/1191878339.db2.gz KEYOYJJUXWKONT-ABAIWWIYSA-N 2 1 311.857 3.104 20 0 DGADMP CCC(CC)(C[NH3+])C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001577050713 1191881654 /nfs/dbraw/zinc/88/16/54/1191881654.db2.gz ADAIAGFZJWEVNK-UHFFFAOYSA-N 2 1 302.462 3.346 20 0 DGADMP CCC(CC)(C[NH3+])CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001577051847 1191882762 /nfs/dbraw/zinc/88/27/62/1191882762.db2.gz BVQPZQUYXQEDJA-MJGOQNOKSA-N 2 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001577051847 1191882764 /nfs/dbraw/zinc/88/27/64/1191882764.db2.gz BVQPZQUYXQEDJA-MJGOQNOKSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001577051847 1191882767 /nfs/dbraw/zinc/88/27/67/1191882767.db2.gz BVQPZQUYXQEDJA-MJGOQNOKSA-N 3 1 317.521 3.109 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C3CCCC3)cc2)C[C@H]1C[NH3+] ZINC001578157382 1191928186 /nfs/dbraw/zinc/92/81/86/1191928186.db2.gz ARWRSWFHWDXCAM-RTBURBONSA-N 2 1 302.462 3.140 20 0 DGADMP CCSc1cccc(C[N@H+]2C[C@@H](C)OC3(CC[NH2+]CC3)C2)c1 ZINC001578220505 1191932773 /nfs/dbraw/zinc/93/27/73/1191932773.db2.gz KMDCZNYFHBHSDY-OAHLLOKOSA-N 2 1 320.502 3.142 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)C[NH3+] ZINC001578489400 1191946094 /nfs/dbraw/zinc/94/60/94/1191946094.db2.gz MFYUCGKQUBFGTK-UHFFFAOYSA-N 3 1 303.494 3.089 20 0 DGADMP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)C[NH3+] ZINC001578489400 1191946095 /nfs/dbraw/zinc/94/60/95/1191946095.db2.gz MFYUCGKQUBFGTK-UHFFFAOYSA-N 2 1 303.494 3.089 20 0 DGADMP C[NH2+]CCC[N@@H+](C)CC(C)(C)c1ccc(Br)cc1 ZINC001578687507 1191951931 /nfs/dbraw/zinc/95/19/31/1191951931.db2.gz SXUUIACWSLXHTH-UHFFFAOYSA-N 2 1 313.283 3.268 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001579192644 1191968418 /nfs/dbraw/zinc/96/84/18/1191968418.db2.gz DLKPHFNZEHNNBV-VQIMIIECSA-N 2 1 302.462 3.264 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)cc1Cl ZINC001579216074 1191969350 /nfs/dbraw/zinc/96/93/50/1191969350.db2.gz BCSUMFHNFCODIF-VBNZEHGJSA-N 2 1 308.853 3.215 20 0 DGADMP Cc1n[nH]c(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514383 1191978568 /nfs/dbraw/zinc/97/85/68/1191978568.db2.gz OCTLBCDAAPEXGW-DOTOQJQBSA-N 2 1 304.482 3.146 20 0 DGADMP Cc1cc(NCC2CC[NH2+]CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC001579636251 1191983841 /nfs/dbraw/zinc/98/38/41/1191983841.db2.gz YJNMQSFKWLDNRD-HNNXBMFYSA-N 2 1 302.466 3.180 20 0 DGADMP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC001579785200 1191993859 /nfs/dbraw/zinc/99/38/59/1191993859.db2.gz CZOCIUUFGYMAQN-MOPGFXCFSA-N 2 1 324.472 3.002 20 0 DGADMP Clc1ccc(C2=CC[N@@H+](C[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC001579938087 1191999880 /nfs/dbraw/zinc/99/98/80/1191999880.db2.gz ODHLMAMLHOYJBG-AWEZNQCLSA-N 2 1 305.853 3.214 20 0 DGADMP Fc1ccc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc2c1F ZINC001580033380 1192004236 /nfs/dbraw/zinc/00/42/36/1192004236.db2.gz KGJZTPMMBRWQJG-UHFFFAOYSA-N 2 1 317.383 3.089 20 0 DGADMP Fc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC1CC[NH2+]CC1)CC3 ZINC001580033650 1192004327 /nfs/dbraw/zinc/00/43/27/1192004327.db2.gz VMJPNGAYSKIYLC-UHFFFAOYSA-N 2 1 301.409 3.055 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCc2ccccn2)C1)C1CCCC1 ZINC001580126137 1192008602 /nfs/dbraw/zinc/00/86/02/1192008602.db2.gz GBJGNZBATYBBJZ-APWZRJJASA-N 2 1 301.478 3.244 20 0 DGADMP [NH3+][C@H](C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)CC(F)F ZINC001580133427 1192009555 /nfs/dbraw/zinc/00/95/55/1192009555.db2.gz YGPQIPIXZQZWGO-ZDUSSCGKSA-N 2 1 302.796 3.235 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)C12CCC2 ZINC001580162551 1192010940 /nfs/dbraw/zinc/01/09/40/1192010940.db2.gz BVCGSSAHSKQWBD-OLZOCXBDSA-N 2 1 305.472 3.231 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C[C@@H]21 ZINC001580177900 1192012204 /nfs/dbraw/zinc/01/22/04/1192012204.db2.gz YYGCKBMGXHUZIZ-HRCADAONSA-N 2 1 312.379 3.351 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC001580215074 1192014050 /nfs/dbraw/zinc/01/40/50/1192014050.db2.gz BXGJCWCTNVOCAO-UFYCRDLUSA-N 2 1 314.473 3.351 20 0 DGADMP [NH3+]C[C@]12C[N@@H+](CCCOCc3ccccc3)C[C@H]1CCCC2 ZINC001580254210 1192016335 /nfs/dbraw/zinc/01/63/35/1192016335.db2.gz BCPWEJNYBPCHDI-RTBURBONSA-N 2 1 302.462 3.044 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC001580335082 1192021826 /nfs/dbraw/zinc/02/18/26/1192021826.db2.gz XLIUEWFAOIBNJY-YJBOKZPZSA-N 2 1 315.392 3.042 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC001580335082 1192021831 /nfs/dbraw/zinc/02/18/31/1192021831.db2.gz XLIUEWFAOIBNJY-YJBOKZPZSA-N 2 1 315.392 3.042 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](c2ccccc2)C1 ZINC001580880765 1192043416 /nfs/dbraw/zinc/04/34/16/1192043416.db2.gz XTOIDGFIZQVPFS-PZJWPPBQSA-N 2 1 322.452 3.030 20 0 DGADMP Oc1cccc2sc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc21 ZINC001580887999 1192043980 /nfs/dbraw/zinc/04/39/80/1192043980.db2.gz CSWICVBLTUTEPQ-QGZVFWFLSA-N 2 1 302.443 3.182 20 0 DGADMP Oc1cccc2sc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc21 ZINC001580887999 1192043982 /nfs/dbraw/zinc/04/39/82/1192043982.db2.gz CSWICVBLTUTEPQ-QGZVFWFLSA-N 2 1 302.443 3.182 20 0 DGADMP COCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001620724829 1192076709 /nfs/dbraw/zinc/07/67/09/1192076709.db2.gz LAIXPGAQPKUNES-KRWDZBQOSA-N 2 1 304.478 3.435 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCCNc3ccccn3)CC2)cc1 ZINC001620826234 1192225523 /nfs/dbraw/zinc/22/55/23/1192225523.db2.gz AZLHGBQMZRYPAE-UHFFFAOYSA-N 2 1 324.472 3.138 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1F ZINC001620830834 1192292876 /nfs/dbraw/zinc/29/28/76/1192292876.db2.gz AQCYOVGXDNYLFF-UHFFFAOYSA-N 2 1 308.441 3.113 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC001620890325 1192558323 /nfs/dbraw/zinc/55/83/23/1192558323.db2.gz IMTNLGFOFVQMRW-DOTOQJQBSA-N 2 1 312.461 3.396 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000109068985 1176021816 /nfs/dbraw/zinc/02/18/16/1176021816.db2.gz YHNZIBVZDDTFBK-GFCCVEGCSA-N 2 1 318.795 3.373 20 0 DGADMP c1ccc(COCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000080244438 1176241743 /nfs/dbraw/zinc/24/17/43/1176241743.db2.gz MKCMFWYOSZSJKB-UHFFFAOYSA-N 2 1 324.468 3.457 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000168042357 1176638368 /nfs/dbraw/zinc/63/83/68/1176638368.db2.gz JAXSWCIVIFFUTI-LBPRGKRZSA-N 2 1 314.351 3.001 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000378886455 1176748223 /nfs/dbraw/zinc/74/82/23/1176748223.db2.gz LXVJHMCKTOCBSN-UHFFFAOYSA-N 2 1 302.418 3.405 20 0 DGADMP C[N@H+](Cc1cccc(Br)c1F)CC1CC[NH2+]CC1 ZINC000394826637 1176754249 /nfs/dbraw/zinc/75/42/49/1176754249.db2.gz XHJRLUCUZLECEV-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001691636584 1177400896 /nfs/dbraw/zinc/40/08/96/1177400896.db2.gz ISWPICXRUQELIF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477484 1177929914 /nfs/dbraw/zinc/92/99/14/1177929914.db2.gz PUHKADHOBCOIGX-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477484 1177929922 /nfs/dbraw/zinc/92/99/22/1177929922.db2.gz PUHKADHOBCOIGX-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477484 1177929929 /nfs/dbraw/zinc/92/99/29/1177929929.db2.gz PUHKADHOBCOIGX-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477484 1177929938 /nfs/dbraw/zinc/92/99/38/1177929938.db2.gz PUHKADHOBCOIGX-IBGZPJMESA-N 2 1 316.565 3.150 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC001330901521 1178087473 /nfs/dbraw/zinc/08/74/73/1178087473.db2.gz IFLGJOKXRKTDFE-GOSISDBHSA-N 2 1 317.477 3.260 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1Cl ZINC001331435138 1178212525 /nfs/dbraw/zinc/21/25/25/1178212525.db2.gz QINSERPUMSQZOE-UHFFFAOYSA-N 2 1 323.868 3.120 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1Cl ZINC001332095137 1178357491 /nfs/dbraw/zinc/35/74/91/1178357491.db2.gz KCPOQTQKVSWFLT-YOEHRIQHSA-N 2 1 323.868 3.248 20 0 DGADMP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001332217458 1178395042 /nfs/dbraw/zinc/39/50/42/1178395042.db2.gz HMSRCFPBWRGIGM-VTFYZGIISA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001332217458 1178395048 /nfs/dbraw/zinc/39/50/48/1178395048.db2.gz HMSRCFPBWRGIGM-VTFYZGIISA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001332217458 1178395059 /nfs/dbraw/zinc/39/50/59/1178395059.db2.gz HMSRCFPBWRGIGM-VTFYZGIISA-N 2 1 323.525 3.042 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@H]1CCCC[C@H]1[NH+](C)C)OCC ZINC001332980201 1178533762 /nfs/dbraw/zinc/53/37/62/1178533762.db2.gz FXCBPSSNFKMLIW-LSDHHAIUSA-N 2 1 320.414 3.105 20 0 DGADMP CCOP(=O)(CCC[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)OCC ZINC001332980199 1178534371 /nfs/dbraw/zinc/53/43/71/1178534371.db2.gz FXCBPSSNFKMLIW-GJZGRUSLSA-N 2 1 320.414 3.105 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001335346578 1178899643 /nfs/dbraw/zinc/89/96/43/1178899643.db2.gz XZWWTCABCQIFAV-FPOVZHCZSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001335346578 1178899653 /nfs/dbraw/zinc/89/96/53/1178899653.db2.gz XZWWTCABCQIFAV-FPOVZHCZSA-N 2 1 324.468 3.065 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836584 1178961465 /nfs/dbraw/zinc/96/14/65/1178961465.db2.gz COPANXZVVJGGCB-BBRMVZONSA-N 2 1 318.465 3.067 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836584 1178961470 /nfs/dbraw/zinc/96/14/70/1178961470.db2.gz COPANXZVVJGGCB-BBRMVZONSA-N 2 1 318.465 3.067 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)CC2(C)C)CC1)CC(C)C ZINC001341692791 1179050271 /nfs/dbraw/zinc/05/02/71/1179050271.db2.gz SHROVUOZGBUWOI-UHFFFAOYSA-N 2 1 323.525 3.035 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001343332685 1179258159 /nfs/dbraw/zinc/25/81/59/1179258159.db2.gz HQCUIEMLBDPHHY-ARFHVFGLSA-N 2 1 308.416 3.169 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001343332688 1179258506 /nfs/dbraw/zinc/25/85/06/1179258506.db2.gz HQCUIEMLBDPHHY-OWCLPIDISA-N 2 1 308.416 3.169 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001345079299 1179523308 /nfs/dbraw/zinc/52/33/08/1179523308.db2.gz VTXBDVHABBYVBZ-NEWSRXKRSA-N 2 1 313.489 3.044 20 0 DGADMP Cn1cc(-c2ccc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc2)cn1 ZINC001345100983 1179526235 /nfs/dbraw/zinc/52/62/35/1179526235.db2.gz YCHTUQDQZJZGEZ-LJQANCHMSA-N 2 1 312.461 3.084 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC001345413973 1179561368 /nfs/dbraw/zinc/56/13/68/1179561368.db2.gz YOQWKQUVRRZGEL-HOTGVXAUSA-N 2 1 320.477 3.395 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC001345605956 1179578896 /nfs/dbraw/zinc/57/88/96/1179578896.db2.gz MOSZCBAOHLIDNJ-HOTGVXAUSA-N 2 1 323.868 3.131 20 0 DGADMP c1ccc(C2CC2)c(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC001351552808 1180223019 /nfs/dbraw/zinc/22/30/19/1180223019.db2.gz HNSWTVLRECBTOE-UHFFFAOYSA-N 2 1 314.473 3.251 20 0 DGADMP c1ccc(C2CC2)c(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC001351552808 1180223024 /nfs/dbraw/zinc/22/30/24/1180223024.db2.gz HNSWTVLRECBTOE-UHFFFAOYSA-N 2 1 314.473 3.251 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)co3)C[C@@H]2C1 ZINC001352114269 1180299394 /nfs/dbraw/zinc/29/93/94/1180299394.db2.gz ZTAQALZIFZYNCC-SOUVJXGZSA-N 2 1 305.466 3.134 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001354461337 1180802743 /nfs/dbraw/zinc/80/27/43/1180802743.db2.gz WTPXFHBRTWWCMV-SJORKVTESA-N 2 1 317.477 3.166 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001200715168 1180847900 /nfs/dbraw/zinc/84/79/00/1180847900.db2.gz QGYXJBHXWRQGKE-YOEHRIQHSA-N 2 1 318.490 3.261 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001200715168 1180847904 /nfs/dbraw/zinc/84/79/04/1180847904.db2.gz QGYXJBHXWRQGKE-YOEHRIQHSA-N 2 1 318.490 3.261 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[nH+]c4ccsc43)C[C@@H]2C1 ZINC001355363732 1181045058 /nfs/dbraw/zinc/04/50/58/1181045058.db2.gz QTJWQNJFDYMHAR-HZSPNIEDSA-N 2 1 301.459 3.463 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)c1 ZINC001355372862 1181046240 /nfs/dbraw/zinc/04/62/40/1181046240.db2.gz GSGZYVNYDVYAHH-BZSNNMDCSA-N 2 1 302.462 3.166 20 0 DGADMP C[C@@H]1C[N@H+](CC/C=C/c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC001579440475 1181783806 /nfs/dbraw/zinc/78/38/06/1181783806.db2.gz BUERGKNQGUNHSG-NKZHAWSJSA-N 2 1 309.251 3.131 20 0 DGADMP C[C@@H]1C[N@@H+](CC/C=C/c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC001579440475 1181783810 /nfs/dbraw/zinc/78/38/10/1181783810.db2.gz BUERGKNQGUNHSG-NKZHAWSJSA-N 2 1 309.251 3.131 20 0 DGADMP [NH3+][C@@H](C[NH2+]CCCCCc1ccc(F)cc1)CC(F)(F)F ZINC001580132112 1182022840 /nfs/dbraw/zinc/02/28/40/1182022840.db2.gz LVAJSTWNKBPXPU-CQSZACIVSA-N 2 1 306.347 3.408 20 0 DGADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)C ZINC001457567248 1182471328 /nfs/dbraw/zinc/47/13/28/1182471328.db2.gz FZAWQKOJYJAVHE-UHFFFAOYSA-N 2 1 317.477 3.199 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC001459539155 1182592022 /nfs/dbraw/zinc/59/20/22/1182592022.db2.gz JPSBNCKWKXEMSP-RBUKOAKNSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC001459539155 1182592027 /nfs/dbraw/zinc/59/20/27/1182592027.db2.gz JPSBNCKWKXEMSP-RBUKOAKNSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC001459539155 1182592032 /nfs/dbraw/zinc/59/20/32/1182592032.db2.gz JPSBNCKWKXEMSP-RBUKOAKNSA-N 2 1 304.478 3.225 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001459621750 1182600426 /nfs/dbraw/zinc/60/04/26/1182600426.db2.gz HKAHMNBUKJSZFA-QUCCMNQESA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001459621750 1182600430 /nfs/dbraw/zinc/60/04/30/1182600430.db2.gz HKAHMNBUKJSZFA-QUCCMNQESA-N 2 1 316.489 3.428 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001459621750 1182600434 /nfs/dbraw/zinc/60/04/34/1182600434.db2.gz HKAHMNBUKJSZFA-QUCCMNQESA-N 2 1 316.489 3.428 20 0 DGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459902992 1182628243 /nfs/dbraw/zinc/62/82/43/1182628243.db2.gz JMDNTRFRAJBDQE-AABGKKOBSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459902992 1182628247 /nfs/dbraw/zinc/62/82/47/1182628247.db2.gz JMDNTRFRAJBDQE-AABGKKOBSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001460058412 1182646086 /nfs/dbraw/zinc/64/60/86/1182646086.db2.gz NJCQKJOYAIEFLJ-KRWDZBQOSA-N 2 1 324.896 3.006 20 0 DGADMP C[N@@H+](C[C@H]1CC2(CO1)CCCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001460090684 1182650391 /nfs/dbraw/zinc/65/03/91/1182650391.db2.gz RUPFQTBESVARDR-UJJTZGENSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+](C[C@H]1CC2(CO1)CCCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001460090684 1182650397 /nfs/dbraw/zinc/65/03/97/1182650397.db2.gz RUPFQTBESVARDR-UJJTZGENSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+](C[C@H]1CC2(CO1)CCCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001460090684 1182650403 /nfs/dbraw/zinc/65/04/03/1182650403.db2.gz RUPFQTBESVARDR-UJJTZGENSA-N 2 1 306.494 3.283 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C1CCC1 ZINC001460624918 1182702385 /nfs/dbraw/zinc/70/23/85/1182702385.db2.gz DWSYOYYMPFWIOR-RTBURBONSA-N 2 1 308.510 3.388 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC[C@@H]2CCOC2)CC1 ZINC001460627748 1182702813 /nfs/dbraw/zinc/70/28/13/1182702813.db2.gz QZVBJHDKDPPFLD-MOPGFXCFSA-N 2 1 308.510 3.390 20 0 DGADMP COC/C(C)=C\C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744938 1182716865 /nfs/dbraw/zinc/71/68/65/1182716865.db2.gz FGBDDTUCEGENFO-IDFFNOJMSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744938 1182716869 /nfs/dbraw/zinc/71/68/69/1182716869.db2.gz FGBDDTUCEGENFO-IDFFNOJMSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744938 1182716873 /nfs/dbraw/zinc/71/68/73/1182716873.db2.gz FGBDDTUCEGENFO-IDFFNOJMSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744938 1182716876 /nfs/dbraw/zinc/71/68/76/1182716876.db2.gz FGBDDTUCEGENFO-IDFFNOJMSA-N 2 1 314.473 3.033 20 0 DGADMP CC[C@H](OCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862831 1182734131 /nfs/dbraw/zinc/73/41/31/1182734131.db2.gz JTZLAUGLOXKYED-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862831 1182734133 /nfs/dbraw/zinc/73/41/33/1182734133.db2.gz JTZLAUGLOXKYED-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862831 1182734139 /nfs/dbraw/zinc/73/41/39/1182734139.db2.gz JTZLAUGLOXKYED-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862831 1182734141 /nfs/dbraw/zinc/73/41/41/1182734141.db2.gz JTZLAUGLOXKYED-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)CCO1 ZINC001460972532 1182749170 /nfs/dbraw/zinc/74/91/70/1182749170.db2.gz KLYYCXFMUKOWEJ-OWCLPIDISA-N 2 1 305.466 3.385 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3nsnc32)CC1 ZINC001461065324 1182762318 /nfs/dbraw/zinc/76/23/18/1182762318.db2.gz JXIXESHRAMMPSO-UHFFFAOYSA-N 2 1 304.463 3.044 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001461142139 1182773267 /nfs/dbraw/zinc/77/32/67/1182773267.db2.gz BFSLHYFOGUMLRL-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142139 1182773269 /nfs/dbraw/zinc/77/32/69/1182773269.db2.gz BFSLHYFOGUMLRL-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142139 1182773272 /nfs/dbraw/zinc/77/32/72/1182773272.db2.gz BFSLHYFOGUMLRL-HKUYNNGSSA-N 2 1 317.521 3.359 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001461181801 1182778873 /nfs/dbraw/zinc/77/88/73/1182778873.db2.gz MPXICSAAVKOXBA-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001461181801 1182778878 /nfs/dbraw/zinc/77/88/78/1182778878.db2.gz MPXICSAAVKOXBA-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001461205069 1182782177 /nfs/dbraw/zinc/78/21/77/1182782177.db2.gz GXNPTCMRLJJIHY-UHFFFAOYSA-N 2 1 319.836 3.142 20 0 DGADMP Clc1cc(Br)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC001461411099 1182809029 /nfs/dbraw/zinc/80/90/29/1182809029.db2.gz GAQFSNVNWIJTTI-UHFFFAOYSA-N 2 1 317.658 3.288 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C2 ZINC001461487488 1182819706 /nfs/dbraw/zinc/81/97/06/1182819706.db2.gz KHXMYXKKXSVELR-WBVHZDCISA-N 2 1 304.478 3.261 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C2 ZINC001461487488 1182819717 /nfs/dbraw/zinc/81/97/17/1182819717.db2.gz KHXMYXKKXSVELR-WBVHZDCISA-N 2 1 304.478 3.261 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC001461829360 1182864099 /nfs/dbraw/zinc/86/40/99/1182864099.db2.gz JWVWARZSJNJOJU-NILFDRSVSA-N 2 1 319.499 3.301 20 0 DGADMP C[C@]1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCCO1 ZINC001462173774 1182918105 /nfs/dbraw/zinc/91/81/05/1182918105.db2.gz BOVVOLQAPMWKPV-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCCO1 ZINC001462173774 1182918108 /nfs/dbraw/zinc/91/81/08/1182918108.db2.gz BOVVOLQAPMWKPV-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCCCO1 ZINC001462173774 1182918113 /nfs/dbraw/zinc/91/81/13/1182918113.db2.gz BOVVOLQAPMWKPV-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462308878 1182936569 /nfs/dbraw/zinc/93/65/69/1182936569.db2.gz XVURGEOUZLIMLB-FAJBIJEISA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462308878 1182936575 /nfs/dbraw/zinc/93/65/75/1182936575.db2.gz XVURGEOUZLIMLB-FAJBIJEISA-N 2 1 324.509 3.208 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C12CCCCC2 ZINC001462443368 1182954348 /nfs/dbraw/zinc/95/43/48/1182954348.db2.gz XLAUJOCOCLUYCC-RCCFBDPRSA-N 2 1 308.510 3.436 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(c4ccc(F)cc4F)C3)[C@H]2C1 ZINC001462671638 1182984357 /nfs/dbraw/zinc/98/43/57/1182984357.db2.gz RZXJFSUQEYJTQN-MRFFPPSTSA-N 2 1 306.400 3.141 20 0 DGADMP CCCC[C@@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC001653178518 1195696057 /nfs/dbraw/zinc/69/60/57/1195696057.db2.gz DALKXKIZDQYQBE-KRWDZBQOSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001473192355 1183727443 /nfs/dbraw/zinc/72/74/43/1183727443.db2.gz UCJIIARFGMLHNW-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001473368516 1183748853 /nfs/dbraw/zinc/74/88/53/1183748853.db2.gz BZWJNXUISZSYOF-YLJYHZDGSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001473368516 1183748855 /nfs/dbraw/zinc/74/88/55/1183748855.db2.gz BZWJNXUISZSYOF-YLJYHZDGSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@@H](CO)[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473509695 1183767941 /nfs/dbraw/zinc/76/79/41/1183767941.db2.gz FSFYNNQCPWNLPB-FQEVSTJZSA-N 2 1 318.505 3.034 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC001473692271 1183789904 /nfs/dbraw/zinc/78/99/04/1183789904.db2.gz ZPOQHZLWGBWBIW-XKGZKEIXSA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC001473692271 1183789909 /nfs/dbraw/zinc/78/99/09/1183789909.db2.gz ZPOQHZLWGBWBIW-XKGZKEIXSA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC001473692271 1183789911 /nfs/dbraw/zinc/78/99/11/1183789911.db2.gz ZPOQHZLWGBWBIW-XKGZKEIXSA-N 2 1 316.489 3.495 20 0 DGADMP C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688043 1183790039 /nfs/dbraw/zinc/79/00/39/1183790039.db2.gz PBMNHDFBLIUZRE-QZPVUJMKSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688043 1183790040 /nfs/dbraw/zinc/79/00/40/1183790040.db2.gz PBMNHDFBLIUZRE-QZPVUJMKSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C\C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001473688043 1183790042 /nfs/dbraw/zinc/79/00/42/1183790042.db2.gz PBMNHDFBLIUZRE-QZPVUJMKSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C\C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001473688043 1183790043 /nfs/dbraw/zinc/79/00/43/1183790043.db2.gz PBMNHDFBLIUZRE-QZPVUJMKSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688044 1183790140 /nfs/dbraw/zinc/79/01/40/1183790140.db2.gz PBMNHDFBLIUZRE-WGLWSTOQSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001473688044 1183790136 /nfs/dbraw/zinc/79/01/36/1183790136.db2.gz PBMNHDFBLIUZRE-WGLWSTOQSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C/C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001473688044 1183790143 /nfs/dbraw/zinc/79/01/43/1183790143.db2.gz PBMNHDFBLIUZRE-WGLWSTOQSA-N 2 1 316.489 3.158 20 0 DGADMP C/C=C/C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001473688044 1183790146 /nfs/dbraw/zinc/79/01/46/1183790146.db2.gz PBMNHDFBLIUZRE-WGLWSTOQSA-N 2 1 316.489 3.158 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001473757211 1183798437 /nfs/dbraw/zinc/79/84/37/1183798437.db2.gz YRGZRQGNKBGNMW-UXHICEINSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001473757211 1183798440 /nfs/dbraw/zinc/79/84/40/1183798440.db2.gz YRGZRQGNKBGNMW-UXHICEINSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001473757211 1183798446 /nfs/dbraw/zinc/79/84/46/1183798446.db2.gz YRGZRQGNKBGNMW-UXHICEINSA-N 2 1 318.505 3.176 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)C1 ZINC001473939544 1183832605 /nfs/dbraw/zinc/83/26/05/1183832605.db2.gz JYLQMMODNUTRNL-INIZCTEOSA-N 2 1 304.478 3.424 20 0 DGADMP COc1cc(F)cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001473935495 1183833370 /nfs/dbraw/zinc/83/33/70/1183833370.db2.gz GZODXOQXVZRNOS-HUUCEWRRSA-N 2 1 308.441 3.292 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC001474018771 1183851916 /nfs/dbraw/zinc/85/19/16/1183851916.db2.gz DRZCQBSBARNQIB-UHFFFAOYSA-N 2 1 323.387 3.405 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC001474297797 1183899357 /nfs/dbraw/zinc/89/93/57/1183899357.db2.gz HIDROIRWEOZZMJ-IRXDYDNUSA-N 2 1 316.489 3.405 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc(C)c1OC(F)F ZINC001474301097 1183900079 /nfs/dbraw/zinc/90/00/79/1183900079.db2.gz FAABNXZUJLYYJM-ARFHVFGLSA-N 2 1 324.415 3.335 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316605 1183903460 /nfs/dbraw/zinc/90/34/60/1183903460.db2.gz CKLBOBOAWYJFOK-YOEHRIQHSA-N 2 1 307.457 3.196 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSc2ccc(OC)cc2)[C@@H](C)C1 ZINC001474319619 1183903636 /nfs/dbraw/zinc/90/36/36/1183903636.db2.gz YRCXSQLHFXVNMN-YJBOKZPZSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSc2ccc(OC)cc2)[C@@H](C)C1 ZINC001474319619 1183903637 /nfs/dbraw/zinc/90/36/37/1183903637.db2.gz YRCXSQLHFXVNMN-YJBOKZPZSA-N 2 1 322.518 3.449 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC001474320754 1183903749 /nfs/dbraw/zinc/90/37/49/1183903749.db2.gz PNAVTEGKEPERDN-ROUUACIJSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001474320754 1183903750 /nfs/dbraw/zinc/90/37/50/1183903750.db2.gz PNAVTEGKEPERDN-ROUUACIJSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001474320754 1183903751 /nfs/dbraw/zinc/90/37/51/1183903751.db2.gz PNAVTEGKEPERDN-ROUUACIJSA-N 2 1 304.503 3.466 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC001474348006 1183906996 /nfs/dbraw/zinc/90/69/96/1183906996.db2.gz AZMSLKWVPPMXBU-GUDVDZBRSA-N 2 1 308.510 3.412 20 0 DGADMP CCNc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001474749038 1183972249 /nfs/dbraw/zinc/97/22/49/1183972249.db2.gz WRZPVNGXNDUVHX-CGTJXYLNSA-N 2 1 301.478 3.281 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001474757461 1183973644 /nfs/dbraw/zinc/97/36/44/1183973644.db2.gz WHZQKEFYBIFULN-WBMRYOJMSA-N 2 1 310.844 3.340 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001474757456 1183973869 /nfs/dbraw/zinc/97/38/69/1183973869.db2.gz WHZQKEFYBIFULN-HQHYIBOGSA-N 2 1 310.844 3.340 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(OC4CCCC4)CC3)[C@@H]2C1 ZINC001474756327 1183973909 /nfs/dbraw/zinc/97/39/09/1183973909.db2.gz CLIDDNVYLUPPDZ-MBFNUVFJSA-N 2 1 306.494 3.187 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(OC4CCCC4)CC3)[C@@H]2C1 ZINC001474756329 1183973981 /nfs/dbraw/zinc/97/39/81/1183973981.db2.gz CLIDDNVYLUPPDZ-ZJDZKMKISA-N 2 1 306.494 3.187 20 0 DGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001499519265 1185661997 /nfs/dbraw/zinc/66/19/97/1185661997.db2.gz RYHUWEWFEBXOMX-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001502503156 1185989447 /nfs/dbraw/zinc/98/94/47/1185989447.db2.gz GAVCZGYKBGBXBA-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001503022612 1186037000 /nfs/dbraw/zinc/03/70/00/1186037000.db2.gz AZLNSTUXQKOGJV-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001503022612 1186037005 /nfs/dbraw/zinc/03/70/05/1186037005.db2.gz AZLNSTUXQKOGJV-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001503022612 1186037008 /nfs/dbraw/zinc/03/70/08/1186037008.db2.gz AZLNSTUXQKOGJV-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001515205971 1186748324 /nfs/dbraw/zinc/74/83/24/1186748324.db2.gz RNUGWYBFGFELQF-GUYCJALGSA-N 2 1 319.811 3.401 20 0 DGADMP C[N@H+]1CC[C@H](CNc2cc[nH+]cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001515205947 1186748567 /nfs/dbraw/zinc/74/85/67/1186748567.db2.gz RNUGWYBFGFELQF-CXAGYDPISA-N 2 1 319.811 3.401 20 0 DGADMP Cc1ccc2sc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc2c1 ZINC001612598078 1193456793 /nfs/dbraw/zinc/45/67/93/1193456793.db2.gz WYSZKVGEXQQSEB-AWEZNQCLSA-N 2 1 320.506 3.289 20 0 DGADMP Cc1ccc2sc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc2c1 ZINC001612598078 1193456794 /nfs/dbraw/zinc/45/67/94/1193456794.db2.gz WYSZKVGEXQQSEB-AWEZNQCLSA-N 2 1 320.506 3.289 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)Cc2cccs2)CC1 ZINC001615818303 1193528292 /nfs/dbraw/zinc/52/82/92/1193528292.db2.gz TUKXYTNYGKVEAP-QGZVFWFLSA-N 2 1 323.550 3.027 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308123 1193535133 /nfs/dbraw/zinc/53/51/33/1193535133.db2.gz BRPIKHQJSMRHQB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308123 1193535135 /nfs/dbraw/zinc/53/51/35/1193535135.db2.gz BRPIKHQJSMRHQB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001616308123 1193535138 /nfs/dbraw/zinc/53/51/38/1193535138.db2.gz BRPIKHQJSMRHQB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001616308123 1193535139 /nfs/dbraw/zinc/53/51/39/1193535139.db2.gz BRPIKHQJSMRHQB-SXLOBPIMSA-N 2 1 318.505 3.380 20 0 DGADMP CO[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001548928484 1188481810 /nfs/dbraw/zinc/48/18/10/1188481810.db2.gz JXACFBSHKYFPCK-ZIBCJSCZSA-N 2 1 322.452 3.382 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC001549087490 1188492828 /nfs/dbraw/zinc/49/28/28/1188492828.db2.gz MZGVGFBPCYZTSY-WMLDXEAASA-N 2 1 305.491 3.362 20 0 DGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC001549087490 1188492834 /nfs/dbraw/zinc/49/28/34/1188492834.db2.gz MZGVGFBPCYZTSY-WMLDXEAASA-N 2 1 305.491 3.362 20 0 DGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)c(C2CCCCC2)n1 ZINC001549088022 1188493228 /nfs/dbraw/zinc/49/32/28/1188493228.db2.gz DAPIPOCKGFNPAB-PKOBYXMFSA-N 2 1 316.493 3.029 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)CCO1 ZINC001549181939 1188500371 /nfs/dbraw/zinc/50/03/71/1188500371.db2.gz TXCNVVINGKHCHY-MDNKFWRPSA-N 2 1 316.489 3.173 20 0 DGADMP FC1(F)[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC001550349043 1188608866 /nfs/dbraw/zinc/60/88/66/1188608866.db2.gz KUCNAXLEOPJCIG-BSDSXHPESA-N 2 1 320.427 3.499 20 0 DGADMP FC(F)(F)[C@@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351800 1188609037 /nfs/dbraw/zinc/60/90/37/1188609037.db2.gz JDVMZFWMFRVQHB-SCXOTVEISA-N 2 1 302.384 3.181 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C2 ZINC001550353258 1188610199 /nfs/dbraw/zinc/61/01/99/1188610199.db2.gz QXVMTWSWNRRILC-QSUVVDIXSA-N 2 1 308.510 3.025 20 0 DGADMP C[C@@H]1C[C@@H](c2ccccc2)C(C)(C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001550438279 1188615497 /nfs/dbraw/zinc/61/54/97/1188615497.db2.gz WZCKOFVMDNFFRP-NJAFHUGGSA-N 2 1 314.473 3.022 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001550515929 1188618224 /nfs/dbraw/zinc/61/82/24/1188618224.db2.gz YNELAZLXVOEQTF-OAGGEKHMSA-N 2 1 303.450 3.138 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]C3CC4(C3)CCCC4)C2)[C@@H]1C(C)C ZINC001550521268 1188618704 /nfs/dbraw/zinc/61/87/04/1188618704.db2.gz CZMKFWAYUQDTDD-JPLJXNOCSA-N 2 1 320.521 3.169 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)C1 ZINC001550953074 1188674845 /nfs/dbraw/zinc/67/48/45/1188674845.db2.gz VNQBGKYOJHGTTF-BZUAXINKSA-N 2 1 303.450 3.138 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4cccnc4c3)C[C@H]2C1 ZINC001551286109 1188725346 /nfs/dbraw/zinc/72/53/46/1188725346.db2.gz ZSZFYXCKZJRXRV-GUDVDZBRSA-N 2 1 309.457 3.397 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987727 1193588253 /nfs/dbraw/zinc/58/82/53/1193588253.db2.gz XHINXJKQMAGULA-MSOLQXFVSA-N 2 1 306.494 3.284 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987727 1193588256 /nfs/dbraw/zinc/58/82/56/1193588256.db2.gz XHINXJKQMAGULA-MSOLQXFVSA-N 2 1 306.494 3.284 20 0 DGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001553864730 1188952677 /nfs/dbraw/zinc/95/26/77/1188952677.db2.gz WPPLGGGSLBWFHA-MRXNPFEDSA-N 2 1 324.403 3.487 20 0 DGADMP C([C@@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1)[NH+]1CCCC1 ZINC001559552654 1189215289 /nfs/dbraw/zinc/21/52/89/1189215289.db2.gz IYEBRVHMYICDNZ-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP Cc1[nH]c(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(C)[nH+]1 ZINC001559837936 1189247460 /nfs/dbraw/zinc/24/74/60/1189247460.db2.gz VXCSVAZWEYWQPV-UHFFFAOYSA-N 2 1 306.498 3.359 20 0 DGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001559946426 1189260015 /nfs/dbraw/zinc/26/00/15/1189260015.db2.gz SPQVZBOQQQGQOB-HXUWFJFHSA-N 2 1 312.457 3.037 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069642 1189274866 /nfs/dbraw/zinc/27/48/66/1189274866.db2.gz XOZYRVOQGNBEDV-LJQANCHMSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102062 1189278503 /nfs/dbraw/zinc/27/85/03/1189278503.db2.gz CKAYPTKFHFNVEM-OALUTQOASA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102062 1189278507 /nfs/dbraw/zinc/27/85/07/1189278507.db2.gz CKAYPTKFHFNVEM-OALUTQOASA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102062 1189278511 /nfs/dbraw/zinc/27/85/11/1189278511.db2.gz CKAYPTKFHFNVEM-OALUTQOASA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102062 1189278518 /nfs/dbraw/zinc/27/85/18/1189278518.db2.gz CKAYPTKFHFNVEM-OALUTQOASA-N 2 1 316.489 3.018 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC001560254516 1189299864 /nfs/dbraw/zinc/29/98/64/1189299864.db2.gz ZTZLJXUDVXTLOD-UHFFFAOYSA-N 2 1 312.404 3.293 20 0 DGADMP CC[C@@H](C[NH2+][C@@H]1CCCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC001560261804 1189301133 /nfs/dbraw/zinc/30/11/33/1189301133.db2.gz UCWRXNBHSRZBPE-MSOLQXFVSA-N 2 1 316.489 3.407 20 0 DGADMP Cc1cccn2c(C[NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)cnc12 ZINC001560270995 1189303361 /nfs/dbraw/zinc/30/33/61/1189303361.db2.gz QYTULLHLSNQSRK-INIZCTEOSA-N 2 1 314.477 3.244 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2)CC1 ZINC001560370335 1189319673 /nfs/dbraw/zinc/31/96/73/1189319673.db2.gz FECULMPEHXTDJD-UHFFFAOYSA-N 2 1 318.505 3.443 20 0 DGADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001560413123 1189325325 /nfs/dbraw/zinc/32/53/25/1189325325.db2.gz XGZMBPYSVQYGIF-OAQYLSRUSA-N 2 1 324.468 3.242 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001560465278 1189331168 /nfs/dbraw/zinc/33/11/68/1189331168.db2.gz OAUABLSFAIONKV-INIZCTEOSA-N 2 1 314.477 3.422 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001560465278 1189331170 /nfs/dbraw/zinc/33/11/70/1189331170.db2.gz OAUABLSFAIONKV-INIZCTEOSA-N 2 1 314.477 3.422 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC001560637751 1189351912 /nfs/dbraw/zinc/35/19/12/1189351912.db2.gz NUOZJXCXOOXFHB-YWZLYKJASA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC001560637751 1189351924 /nfs/dbraw/zinc/35/19/24/1189351924.db2.gz NUOZJXCXOOXFHB-YWZLYKJASA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC001560637751 1189351929 /nfs/dbraw/zinc/35/19/29/1189351929.db2.gz NUOZJXCXOOXFHB-YWZLYKJASA-N 2 1 315.505 3.431 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC001560637749 1189352828 /nfs/dbraw/zinc/35/28/28/1189352828.db2.gz NUOZJXCXOOXFHB-MGPUTAFESA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC001560637749 1189352838 /nfs/dbraw/zinc/35/28/38/1189352838.db2.gz NUOZJXCXOOXFHB-MGPUTAFESA-N 2 1 315.505 3.431 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC001560637749 1189352845 /nfs/dbraw/zinc/35/28/45/1189352845.db2.gz NUOZJXCXOOXFHB-MGPUTAFESA-N 2 1 315.505 3.431 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001560649267 1189355548 /nfs/dbraw/zinc/35/55/48/1189355548.db2.gz GGEOCNMSSIKJAX-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP CCCCN(C(=O)[C@@H]1CC[N@@H+]1CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001565642088 1189660533 /nfs/dbraw/zinc/66/05/33/1189660533.db2.gz UQKMFFLXBUXSTG-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCN(C(=O)[C@@H]1CC[N@H+]1CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001565642088 1189660536 /nfs/dbraw/zinc/66/05/36/1189660536.db2.gz UQKMFFLXBUXSTG-INIZCTEOSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001566092496 1189732025 /nfs/dbraw/zinc/73/20/25/1189732025.db2.gz YIRIQCNGFOSIIQ-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001566092496 1189732034 /nfs/dbraw/zinc/73/20/34/1189732034.db2.gz YIRIQCNGFOSIIQ-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001566092496 1189732036 /nfs/dbraw/zinc/73/20/36/1189732036.db2.gz YIRIQCNGFOSIIQ-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H](C)CC[NH+](C)C)cc2)c1C ZINC001569822666 1190759306 /nfs/dbraw/zinc/75/93/06/1190759306.db2.gz ILIDYGFDYMMHKO-CYBMUJFWSA-N 2 1 314.433 3.015 20 0 DGADMP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570823041 1190958634 /nfs/dbraw/zinc/95/86/34/1190958634.db2.gz PTVLSSSQJOYIFH-MZIIKBMYSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570823040 1190959030 /nfs/dbraw/zinc/95/90/30/1190959030.db2.gz PTVLSSSQJOYIFH-KBSZCIAZSA-N 2 1 323.525 3.044 20 0 DGADMP Cn1ccnc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001620751713 1191430632 /nfs/dbraw/zinc/43/06/32/1191430632.db2.gz ALSXGSBSXXJCMW-UHFFFAOYSA-N 2 1 312.461 3.086 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC001615743890 1191443003 /nfs/dbraw/zinc/44/30/03/1191443003.db2.gz JYSXBDUJYFCDEO-INIZCTEOSA-N 2 1 312.498 3.020 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC001615743890 1191443005 /nfs/dbraw/zinc/44/30/05/1191443005.db2.gz JYSXBDUJYFCDEO-INIZCTEOSA-N 2 1 312.498 3.020 20 0 DGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1)C(C)C ZINC001620763514 1191443302 /nfs/dbraw/zinc/44/33/02/1191443302.db2.gz AGALZRZKCAPQQY-SJORKVTESA-N 2 1 312.498 3.208 20 0 DGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1)C(C)C ZINC001620763514 1191443308 /nfs/dbraw/zinc/44/33/08/1191443308.db2.gz AGALZRZKCAPQQY-SJORKVTESA-N 2 1 312.498 3.208 20 0 DGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001575409410 1191481418 /nfs/dbraw/zinc/48/14/18/1191481418.db2.gz DVJHZCZHPIRESD-CQSZACIVSA-N 2 1 304.356 3.091 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001575566598 1191491907 /nfs/dbraw/zinc/49/19/07/1191491907.db2.gz ZEXJWNCKDWXDMN-NZSAHSFTSA-N 2 1 310.526 3.403 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001575699960 1191502929 /nfs/dbraw/zinc/50/29/29/1191502929.db2.gz LFSZEFARUMARRM-QZTJIDSGSA-N 2 1 307.526 3.233 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC001575699618 1191503316 /nfs/dbraw/zinc/50/33/16/1191503316.db2.gz HWWHVVYAJNHYNJ-QZTJIDSGSA-N 2 1 301.478 3.029 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2n1C(F)F ZINC001576243375 1191547217 /nfs/dbraw/zinc/54/72/17/1191547217.db2.gz BGBYFRNGQWBLHH-VXGBXAGGSA-N 2 1 308.376 3.082 20 0 DGADMP CC1(C)C[C@H]([N@H+](Cc2ccccc2)C[C@H]2CC[C@@H]([NH3+])C2)CO1 ZINC001576395982 1191586400 /nfs/dbraw/zinc/58/64/00/1191586400.db2.gz UAXCJNCCDHWGRX-KSZLIROESA-N 2 1 302.462 3.184 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC1(C)C ZINC001618654870 1193746879 /nfs/dbraw/zinc/74/68/79/1193746879.db2.gz VTQLBENFRXLZCA-RBUKOAKNSA-N 2 1 316.489 3.433 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935235 1194880150 /nfs/dbraw/zinc/88/01/50/1194880150.db2.gz URYIAHSLGWKDLR-GOSISDBHSA-N 2 1 318.581 3.396 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935235 1194880152 /nfs/dbraw/zinc/88/01/52/1194880152.db2.gz URYIAHSLGWKDLR-GOSISDBHSA-N 2 1 318.581 3.396 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935235 1194880154 /nfs/dbraw/zinc/88/01/54/1194880154.db2.gz URYIAHSLGWKDLR-GOSISDBHSA-N 2 1 318.581 3.396 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001641935235 1194880157 /nfs/dbraw/zinc/88/01/57/1194880157.db2.gz URYIAHSLGWKDLR-GOSISDBHSA-N 2 1 318.581 3.396 20 0 DGADMP CCN(CCC[NH+](CC)CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001642625067 1194923540 /nfs/dbraw/zinc/92/35/40/1194923540.db2.gz NQCIYQYILHUDED-FQEVSTJZSA-N 2 1 317.521 3.315 20 0 DGADMP C[C@H]1CC(CC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H](C)C1 ZINC001643980462 1195070151 /nfs/dbraw/zinc/07/01/51/1195070151.db2.gz JAJJBXQXFJHDOR-LMMKCTJWSA-N 2 1 310.526 3.491 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001644332684 1195101963 /nfs/dbraw/zinc/10/19/63/1195101963.db2.gz NQGMZNVHUFVXBN-HUUCEWRRSA-N 2 1 309.404 3.418 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543534 1195115522 /nfs/dbraw/zinc/11/55/22/1195115522.db2.gz KPXMJHYYYGPHCZ-YLJYHZDGSA-N 2 1 312.457 3.336 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543534 1195115524 /nfs/dbraw/zinc/11/55/24/1195115524.db2.gz KPXMJHYYYGPHCZ-YLJYHZDGSA-N 2 1 312.457 3.336 20 0 DGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001644780601 1195134611 /nfs/dbraw/zinc/13/46/11/1195134611.db2.gz CJFJKFAWHSAZTB-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001644780601 1195134613 /nfs/dbraw/zinc/13/46/13/1195134613.db2.gz CJFJKFAWHSAZTB-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H](CCSc1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001647977871 1195268821 /nfs/dbraw/zinc/26/88/21/1195268821.db2.gz OGLREODGQNTVOU-BBWFWOEESA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001647977871 1195268825 /nfs/dbraw/zinc/26/88/25/1195268825.db2.gz OGLREODGQNTVOU-BBWFWOEESA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001647977871 1195268829 /nfs/dbraw/zinc/26/88/29/1195268829.db2.gz OGLREODGQNTVOU-BBWFWOEESA-N 2 1 304.503 3.441 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCCN2CC[C@H]2CCC[N@H+]2C)CC1 ZINC001648026535 1195271740 /nfs/dbraw/zinc/27/17/40/1195271740.db2.gz DRFNFOKTRXSLKM-MOPGFXCFSA-N 2 1 307.526 3.057 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001648492964 1195304762 /nfs/dbraw/zinc/30/47/62/1195304762.db2.gz FVOPJRPNTRXLIK-LPHOPBHVSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001648492964 1195304765 /nfs/dbraw/zinc/30/47/65/1195304765.db2.gz FVOPJRPNTRXLIK-LPHOPBHVSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC001648492964 1195304768 /nfs/dbraw/zinc/30/47/68/1195304768.db2.gz FVOPJRPNTRXLIK-LPHOPBHVSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001648720763 1195325468 /nfs/dbraw/zinc/32/54/68/1195325468.db2.gz JRDDHQFPDTZZAY-UHFFFAOYSA-N 2 1 320.525 3.467 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001650890606 1195392855 /nfs/dbraw/zinc/39/28/55/1195392855.db2.gz KGULMJOLUKHVOS-CYBMUJFWSA-N 2 1 315.383 3.302 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC001651289537 1195438314 /nfs/dbraw/zinc/43/83/14/1195438314.db2.gz RAZJIDBBAWYOMT-UHFFFAOYSA-N 2 1 306.498 3.145 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC001651289537 1195438322 /nfs/dbraw/zinc/43/83/22/1195438322.db2.gz RAZJIDBBAWYOMT-UHFFFAOYSA-N 2 1 306.498 3.145 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@@H]2C1 ZINC001651697956 1195498119 /nfs/dbraw/zinc/49/81/19/1195498119.db2.gz LZCFXSJZFWWEMS-QJPTWQEYSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@@H]2C1 ZINC001651697956 1195498114 /nfs/dbraw/zinc/49/81/14/1195498114.db2.gz LZCFXSJZFWWEMS-QJPTWQEYSA-N 2 1 304.381 3.197 20 0 DGADMP CCc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)nc(CC)n1 ZINC001651826942 1195514323 /nfs/dbraw/zinc/51/43/23/1195514323.db2.gz ISNCVASOONLOEG-UHFFFAOYSA-N 2 1 316.449 3.153 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001652015357 1195537072 /nfs/dbraw/zinc/53/70/72/1195537072.db2.gz NMPPFWLAIXLQQF-UHFFFAOYSA-N 2 1 300.368 3.268 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3scnc3c2)C1 ZINC001652399841 1195592414 /nfs/dbraw/zinc/59/24/14/1195592414.db2.gz JZRNGBCQCJUJEY-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399841 1195592418 /nfs/dbraw/zinc/59/24/18/1195592418.db2.gz JZRNGBCQCJUJEY-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399841 1195592421 /nfs/dbraw/zinc/59/24/21/1195592421.db2.gz JZRNGBCQCJUJEY-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001652684546 1195635969 /nfs/dbraw/zinc/63/59/69/1195635969.db2.gz MARSNHGKGKBPFX-NVXWUHKLSA-N 2 1 324.509 3.018 20 0 DGADMP O=C(Nc1ccc2c[nH+]cn2c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001652862216 1195662099 /nfs/dbraw/zinc/66/20/99/1195662099.db2.gz OCVIWSVAXSPGIX-KRWDZBQOSA-N 2 1 312.417 3.070 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882914 1195666194 /nfs/dbraw/zinc/66/61/94/1195666194.db2.gz ZICBTFXEJSUQHX-RHSMWYFYSA-N 2 1 316.449 3.222 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC001652882914 1195666198 /nfs/dbraw/zinc/66/61/98/1195666198.db2.gz ZICBTFXEJSUQHX-RHSMWYFYSA-N 2 1 316.449 3.222 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4scnc4c3)C[C@@H]2C1 ZINC001653242298 1195702322 /nfs/dbraw/zinc/70/23/22/1195702322.db2.gz ZMMPTZQMDKAHAO-HRCADAONSA-N 2 1 315.486 3.458 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2CSC2)CC[N@@H+]1Cc1ccccc1 ZINC001653270431 1195706046 /nfs/dbraw/zinc/70/60/46/1195706046.db2.gz YSEHDCLAPSMMIR-CRAIPNDOSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001653270431 1195706048 /nfs/dbraw/zinc/70/60/48/1195706048.db2.gz YSEHDCLAPSMMIR-CRAIPNDOSA-N 2 1 304.503 3.382 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001653501019 1195729059 /nfs/dbraw/zinc/72/90/59/1195729059.db2.gz IVLUQMCVNJCKCB-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001653501019 1195729060 /nfs/dbraw/zinc/72/90/60/1195729060.db2.gz IVLUQMCVNJCKCB-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001653501019 1195729063 /nfs/dbraw/zinc/72/90/63/1195729063.db2.gz IVLUQMCVNJCKCB-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CSCC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001654066083 1195771178 /nfs/dbraw/zinc/77/11/78/1195771178.db2.gz QGMMWHCKIKXJLF-IYBDPMFKSA-N 2 1 322.518 3.091 20 0 DGADMP CSCC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001654066083 1195771182 /nfs/dbraw/zinc/77/11/82/1195771182.db2.gz QGMMWHCKIKXJLF-IYBDPMFKSA-N 2 1 322.518 3.091 20 0 DGADMP CSCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001654066083 1195771184 /nfs/dbraw/zinc/77/11/84/1195771184.db2.gz QGMMWHCKIKXJLF-IYBDPMFKSA-N 2 1 322.518 3.091 20 0 DGADMP COC(=O)C(C)(C)C[N@@H+](CCC[NH+]1CCCCC1)CC(C)C ZINC001654644543 1195825987 /nfs/dbraw/zinc/82/59/87/1195825987.db2.gz GJXIFITZEIJJFR-UHFFFAOYSA-N 2 1 312.498 3.020 20 0 DGADMP C[C@@H]1C[N@H+](CCc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001654659573 1195828867 /nfs/dbraw/zinc/82/88/67/1195828867.db2.gz DJANCFFYMNJECB-CQSZACIVSA-N 2 1 317.383 3.113 20 0 DGADMP C[C@@H]1C[N@@H+](CCc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001654659573 1195828872 /nfs/dbraw/zinc/82/88/72/1195828872.db2.gz DJANCFFYMNJECB-CQSZACIVSA-N 2 1 317.383 3.113 20 0 DGADMP CO[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728186 1195834385 /nfs/dbraw/zinc/83/43/85/1195834385.db2.gz WAKUNDUILBXOQA-ZRNYENFQSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728186 1195834387 /nfs/dbraw/zinc/83/43/87/1195834387.db2.gz WAKUNDUILBXOQA-ZRNYENFQSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728186 1195834389 /nfs/dbraw/zinc/83/43/89/1195834389.db2.gz WAKUNDUILBXOQA-ZRNYENFQSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728186 1195834391 /nfs/dbraw/zinc/83/43/91/1195834391.db2.gz WAKUNDUILBXOQA-ZRNYENFQSA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001654759816 1195836499 /nfs/dbraw/zinc/83/64/99/1195836499.db2.gz PUVRIMXKJBFKHC-QZTJIDSGSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001654759816 1195836502 /nfs/dbraw/zinc/83/65/02/1195836502.db2.gz PUVRIMXKJBFKHC-QZTJIDSGSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001654759816 1195836505 /nfs/dbraw/zinc/83/65/05/1195836505.db2.gz PUVRIMXKJBFKHC-QZTJIDSGSA-N 2 1 308.510 3.411 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC001654838196 1195847030 /nfs/dbraw/zinc/84/70/30/1195847030.db2.gz OTGJIUAPVYMJDY-GJZGRUSLSA-N 2 1 309.404 3.418 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CCCC1 ZINC001655209000 1195891522 /nfs/dbraw/zinc/89/15/22/1195891522.db2.gz CKZGZSRADINONV-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001655277797 1195899728 /nfs/dbraw/zinc/89/97/28/1195899728.db2.gz GTOOOMKDFOVONI-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001655277797 1195899734 /nfs/dbraw/zinc/89/97/34/1195899734.db2.gz GTOOOMKDFOVONI-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001655277797 1195899738 /nfs/dbraw/zinc/89/97/38/1195899738.db2.gz GTOOOMKDFOVONI-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001655277797 1195899746 /nfs/dbraw/zinc/89/97/46/1195899746.db2.gz GTOOOMKDFOVONI-CFVMTHIKSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)C1 ZINC001655282690 1195899893 /nfs/dbraw/zinc/89/98/93/1195899893.db2.gz LOJTYCRVPHWRAQ-PXNSSMCTSA-N 2 1 316.489 3.435 20 0 DGADMP CC1(C)CC2(CO1)CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC001655309620 1195901772 /nfs/dbraw/zinc/90/17/72/1195901772.db2.gz GSPKXWVXSRMDAV-ISXWCOSWSA-N 2 1 306.494 3.331 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)nc1 ZINC001655331076 1195904974 /nfs/dbraw/zinc/90/49/74/1195904974.db2.gz XERDVFQCUSZYHC-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)nc1 ZINC001655331076 1195904977 /nfs/dbraw/zinc/90/49/77/1195904977.db2.gz XERDVFQCUSZYHC-LJQANCHMSA-N 2 1 301.478 3.476 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655451426 1195918833 /nfs/dbraw/zinc/91/88/33/1195918833.db2.gz CQJHIZAUZIJBCN-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001655451426 1195918836 /nfs/dbraw/zinc/91/88/36/1195918836.db2.gz CQJHIZAUZIJBCN-AWEZNQCLSA-N 2 1 312.404 3.418 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001655634395 1195944075 /nfs/dbraw/zinc/94/40/75/1195944075.db2.gz QPPZYMXCQCEQSM-MRXNPFEDSA-N 2 1 307.441 3.281 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001655717797 1195955408 /nfs/dbraw/zinc/95/54/08/1195955408.db2.gz PDYDZKVBDQRFJE-ZDUSSCGKSA-N 2 1 313.367 3.056 20 0 DGADMP Cc1ncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC001655725230 1195956184 /nfs/dbraw/zinc/95/61/84/1195956184.db2.gz RWNNQHJDCXQSOD-WMZOPIPTSA-N 2 1 312.461 3.143 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001656071525 1195993973 /nfs/dbraw/zinc/99/39/73/1195993973.db2.gz VVVXOYVJMQKDGP-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)nc1 ZINC001656067283 1195994191 /nfs/dbraw/zinc/99/41/91/1195994191.db2.gz LXJCHVXFPIJUSC-OALUTQOASA-N 2 1 307.441 3.465 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001656298811 1196028628 /nfs/dbraw/zinc/02/86/28/1196028628.db2.gz NXFIDUCVIPOFKH-UYAOXDASSA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001656298811 1196028631 /nfs/dbraw/zinc/02/86/31/1196028631.db2.gz NXFIDUCVIPOFKH-UYAOXDASSA-N 2 1 312.457 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001656298811 1196028634 /nfs/dbraw/zinc/02/86/34/1196028634.db2.gz NXFIDUCVIPOFKH-UYAOXDASSA-N 2 1 312.457 3.411 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1cccc2c1OCC2)C1CCCCC1 ZINC001656616765 1196055466 /nfs/dbraw/zinc/05/54/66/1196055466.db2.gz CPWNMBQURAAWLA-UHFFFAOYSA-N 2 1 302.462 3.366 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2c1OCC2)C1CCCCC1 ZINC001656616765 1196055469 /nfs/dbraw/zinc/05/54/69/1196055469.db2.gz CPWNMBQURAAWLA-UHFFFAOYSA-N 2 1 302.462 3.366 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001656632643 1196056565 /nfs/dbraw/zinc/05/65/65/1196056565.db2.gz HYUJCTFSEXWNPP-DLBZAZTESA-N 2 1 313.445 3.206 20 0 DGADMP COC(=O)c1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1C ZINC001656680405 1196060923 /nfs/dbraw/zinc/06/09/23/1196060923.db2.gz IOEFVMYNFIEVON-UHFFFAOYSA-N 2 1 320.477 3.380 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001656889949 1196079799 /nfs/dbraw/zinc/07/97/99/1196079799.db2.gz RSAJERWRBCMFDD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccncc4)[C@@H]3C2)cc1 ZINC001656994108 1196090671 /nfs/dbraw/zinc/09/06/71/1196090671.db2.gz HKFGCXXYTXTCDY-PWRODBHTSA-N 2 1 321.468 3.472 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC4(CCC4)CO3)C2)CC1 ZINC001657123277 1196108156 /nfs/dbraw/zinc/10/81/56/1196108156.db2.gz YBUASUDMDFOXDV-RBUKOAKNSA-N 2 1 320.521 3.390 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CC4(CCC4)CO3)C2)CC1 ZINC001657123275 1196108608 /nfs/dbraw/zinc/10/86/08/1196108608.db2.gz YBUASUDMDFOXDV-MOPGFXCFSA-N 2 1 320.521 3.390 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001657148324 1196111071 /nfs/dbraw/zinc/11/10/71/1196111071.db2.gz CIPQIPIDSXUNNZ-BHIYHBOVSA-N 2 1 310.441 3.278 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001657148324 1196111075 /nfs/dbraw/zinc/11/10/75/1196111075.db2.gz CIPQIPIDSXUNNZ-BHIYHBOVSA-N 2 1 310.441 3.278 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1Br ZINC001657149691 1196111707 /nfs/dbraw/zinc/11/17/07/1196111707.db2.gz YFMRYCWBGCDETO-QLFBSQMISA-N 2 1 323.278 3.187 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1Br ZINC001657149691 1196111709 /nfs/dbraw/zinc/11/17/09/1196111709.db2.gz YFMRYCWBGCDETO-QLFBSQMISA-N 2 1 323.278 3.187 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218825 1196119714 /nfs/dbraw/zinc/11/97/14/1196119714.db2.gz CWLPLSPKIGPBBU-YOEHRIQHSA-N 2 1 307.457 3.054 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218825 1196119717 /nfs/dbraw/zinc/11/97/17/1196119717.db2.gz CWLPLSPKIGPBBU-YOEHRIQHSA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218825 1196119718 /nfs/dbraw/zinc/11/97/18/1196119718.db2.gz CWLPLSPKIGPBBU-YOEHRIQHSA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218825 1196119722 /nfs/dbraw/zinc/11/97/22/1196119722.db2.gz CWLPLSPKIGPBBU-YOEHRIQHSA-N 2 1 307.457 3.054 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc2nccn21)[N@H+](C)Cc1ccccc1 ZINC001657372383 1196134931 /nfs/dbraw/zinc/13/49/31/1196134931.db2.gz SLMBIGLNNSBMIE-QGZVFWFLSA-N 2 1 322.456 3.335 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc2nccn21)[N@@H+](C)Cc1ccccc1 ZINC001657372383 1196134933 /nfs/dbraw/zinc/13/49/33/1196134933.db2.gz SLMBIGLNNSBMIE-QGZVFWFLSA-N 2 1 322.456 3.335 20 0 DGADMP CC(C)[C@@H](O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001657552223 1196154116 /nfs/dbraw/zinc/15/41/16/1196154116.db2.gz IXYBGKMHXVHHPH-MJGOQNOKSA-N 2 1 310.526 3.370 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccccc2)C1 ZINC001657768864 1196176869 /nfs/dbraw/zinc/17/68/69/1196176869.db2.gz PIUJYRWFZSPSLE-DFOOEPSASA-N 2 1 322.452 3.056 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H](C)C1 ZINC001657768413 1196177210 /nfs/dbraw/zinc/17/72/10/1196177210.db2.gz KPFHMZTULJYGRF-FIYPYCPBSA-N 2 1 316.489 3.168 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001658098930 1196211077 /nfs/dbraw/zinc/21/10/77/1196211077.db2.gz KMOUMIDGRCSACS-UHFFFAOYSA-N 2 1 314.820 3.344 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCC34CCOCC4)C2)CC1 ZINC001658440873 1196256976 /nfs/dbraw/zinc/25/69/76/1196256976.db2.gz CNNSWENIVUAGFQ-SFHVURJKSA-N 2 1 320.521 3.391 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC001658461077 1196259292 /nfs/dbraw/zinc/25/92/92/1196259292.db2.gz OOFRYELQPOALCR-UHFFFAOYSA-N 2 1 318.461 3.088 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC001658461077 1196259298 /nfs/dbraw/zinc/25/92/98/1196259298.db2.gz OOFRYELQPOALCR-UHFFFAOYSA-N 2 1 318.461 3.088 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC001658785836 1196300355 /nfs/dbraw/zinc/30/03/55/1196300355.db2.gz FBKTVANWRXVXEL-INIZCTEOSA-N 2 1 314.477 3.391 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001659270917 1196365887 /nfs/dbraw/zinc/36/58/87/1196365887.db2.gz JODXPRPUDQHRRW-OKZBNKHCSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]CC2(C[NH+](C)C)CCCC2)CC1 ZINC001659369870 1196375904 /nfs/dbraw/zinc/37/59/04/1196375904.db2.gz SYPWAOCNYXYGRV-UHFFFAOYSA-N 3 1 309.542 3.209 20 0 DGADMP C[N@@H+](CCCc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001659765538 1196412071 /nfs/dbraw/zinc/41/20/71/1196412071.db2.gz CJEPEAPISFUCLW-XYPWUTKMSA-N 2 1 308.416 3.454 20 0 DGADMP C[NH+](CCCc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001659765538 1196412074 /nfs/dbraw/zinc/41/20/74/1196412074.db2.gz CJEPEAPISFUCLW-XYPWUTKMSA-N 2 1 308.416 3.454 20 0 DGADMP C[NH+](CCCc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001659765538 1196412078 /nfs/dbraw/zinc/41/20/78/1196412078.db2.gz CJEPEAPISFUCLW-XYPWUTKMSA-N 2 1 308.416 3.454 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000075809192 1196423558 /nfs/dbraw/zinc/42/35/58/1196423558.db2.gz XEWSQDJSWPZGOG-UHFFFAOYSA-N 2 1 304.503 3.445 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)CC1 ZINC001659873937 1196424413 /nfs/dbraw/zinc/42/44/13/1196424413.db2.gz ZEVXKNSSTXPVQF-OAHLLOKOSA-N 2 1 322.415 3.150 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)ccnc2Cl)C1 ZINC001659994751 1196436196 /nfs/dbraw/zinc/43/61/96/1196436196.db2.gz DOZYZTQNEOVSRE-NSHDSACASA-N 2 1 302.249 3.210 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001660570970 1196498346 /nfs/dbraw/zinc/49/83/46/1196498346.db2.gz UJRNEQHYACSQNP-UHFFFAOYSA-N 2 1 302.462 3.318 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C)n1 ZINC001660575124 1196499039 /nfs/dbraw/zinc/49/90/39/1196499039.db2.gz OUFXYKCXUQQPHF-UHFFFAOYSA-N 2 1 319.493 3.405 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001660976637 1196548908 /nfs/dbraw/zinc/54/89/08/1196548908.db2.gz NUDUCQUBAMSNRP-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC001661411621 1196603308 /nfs/dbraw/zinc/60/33/08/1196603308.db2.gz KGLBFTXFHZGNDS-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC001662169004 1196689548 /nfs/dbraw/zinc/68/95/48/1196689548.db2.gz XFOYXMYFMZURJU-XYJFISCASA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC001662169004 1196689550 /nfs/dbraw/zinc/68/95/50/1196689550.db2.gz XFOYXMYFMZURJU-XYJFISCASA-N 2 1 300.446 3.289 20 0 DGADMP CCCn1cncc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188165 1196692003 /nfs/dbraw/zinc/69/20/03/1196692003.db2.gz NQNHLTOXAGRCSZ-HZPDHXFCSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1cncc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188165 1196692007 /nfs/dbraw/zinc/69/20/07/1196692007.db2.gz NQNHLTOXAGRCSZ-HZPDHXFCSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662187281 1196692274 /nfs/dbraw/zinc/69/22/74/1196692274.db2.gz DRXWSWAMMLZJHN-GDBMZVCRSA-N 2 1 316.445 3.158 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662187281 1196692276 /nfs/dbraw/zinc/69/22/76/1196692276.db2.gz DRXWSWAMMLZJHN-GDBMZVCRSA-N 2 1 316.445 3.158 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001662188825 1196692343 /nfs/dbraw/zinc/69/23/43/1196692343.db2.gz YCGVTJOCVMFKJE-MTNOOBJLSA-N 2 1 308.510 3.433 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000078911098 1196816011 /nfs/dbraw/zinc/81/60/11/1196816011.db2.gz KECLMFBXCGPWMR-MRXNPFEDSA-N 2 1 318.461 3.058 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001663532958 1196897802 /nfs/dbraw/zinc/89/78/02/1196897802.db2.gz TYGFOWDOQPHHIQ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H](c1ccccc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001663568239 1196906567 /nfs/dbraw/zinc/90/65/67/1196906567.db2.gz QOCJSSQCWDVWDA-HXUWFJFHSA-N 2 1 315.505 3.097 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001664587446 1197018171 /nfs/dbraw/zinc/01/81/71/1197018171.db2.gz ZSDQZBUEQIFBAV-LRYGQEGESA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC001664611539 1197020953 /nfs/dbraw/zinc/02/09/53/1197020953.db2.gz KHRQXFPHXHGPGH-CRAIPNDOSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C[C@H](C)O ZINC000080204322 1197043289 /nfs/dbraw/zinc/04/32/89/1197043289.db2.gz NYNYXHAPJLZBMG-SJORKVTESA-N 2 1 306.494 3.141 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC001664883454 1197074638 /nfs/dbraw/zinc/07/46/38/1197074638.db2.gz STRNWNIPGKLBKG-HXUWFJFHSA-N 2 1 314.473 3.188 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277342 1197117997 /nfs/dbraw/zinc/11/79/97/1197117997.db2.gz OMDIXYZTWOXYJG-KBAYOESNSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277342 1197117998 /nfs/dbraw/zinc/11/79/98/1197117998.db2.gz OMDIXYZTWOXYJG-KBAYOESNSA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)Cn1nccc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001665510424 1197145920 /nfs/dbraw/zinc/14/59/20/1197145920.db2.gz MGHHBDUNKMWXIY-UHFFFAOYSA-N 2 1 320.525 3.339 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001665576139 1197153609 /nfs/dbraw/zinc/15/36/09/1197153609.db2.gz OMYYUZZVIHSNFU-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001665847558 1197206407 /nfs/dbraw/zinc/20/64/07/1197206407.db2.gz GPAZHWYZVJRPSN-MRXNPFEDSA-N 2 1 322.493 3.120 20 0 DGADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001665847558 1197206411 /nfs/dbraw/zinc/20/64/11/1197206411.db2.gz GPAZHWYZVJRPSN-MRXNPFEDSA-N 2 1 322.493 3.120 20 0 DGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1 ZINC001665937954 1197218829 /nfs/dbraw/zinc/21/88/29/1197218829.db2.gz USDYQDNQZRJHQF-OYZDUHAOSA-N 2 1 314.473 3.117 20 0 DGADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001665937606 1197219209 /nfs/dbraw/zinc/21/92/09/1197219209.db2.gz RFQNABSBGSSFEV-VVLHAWIVSA-N 2 1 324.509 3.064 20 0 DGADMP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001666976438 1197304258 /nfs/dbraw/zinc/30/42/58/1197304258.db2.gz DUGVYQQLKNNPOY-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671648241 1197557014 /nfs/dbraw/zinc/55/70/14/1197557014.db2.gz DLXLGPVEWMGYTJ-IEBWSBKVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001671648241 1197557017 /nfs/dbraw/zinc/55/70/17/1197557017.db2.gz DLXLGPVEWMGYTJ-IEBWSBKVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001671648241 1197557022 /nfs/dbraw/zinc/55/70/22/1197557022.db2.gz DLXLGPVEWMGYTJ-IEBWSBKVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001673609988 1197677320 /nfs/dbraw/zinc/67/73/20/1197677320.db2.gz MWZZJFGTMZVZSN-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000378919467 1197702763 /nfs/dbraw/zinc/70/27/63/1197702763.db2.gz CCUXMTUXRDLRHC-ZIAGYGMSSA-N 2 1 324.852 3.074 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000378919467 1197702764 /nfs/dbraw/zinc/70/27/64/1197702764.db2.gz CCUXMTUXRDLRHC-ZIAGYGMSSA-N 2 1 324.852 3.074 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000390773264 1197713508 /nfs/dbraw/zinc/71/35/08/1197713508.db2.gz KYMOUTLCMMZAAZ-WOJBJXKFSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001673985645 1197716200 /nfs/dbraw/zinc/71/62/00/1197716200.db2.gz MZVJRFFAVLPSNH-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001674155125 1197739750 /nfs/dbraw/zinc/73/97/50/1197739750.db2.gz OCHHTYBZHKIJRV-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001676817459 1198399288 /nfs/dbraw/zinc/39/92/88/1198399288.db2.gz YKSARXRWAHMHOP-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](C(C)C)CC2 ZINC001676817459 1198399297 /nfs/dbraw/zinc/39/92/97/1198399297.db2.gz YKSARXRWAHMHOP-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](C(C)C)CC2 ZINC001676817459 1198399305 /nfs/dbraw/zinc/39/93/05/1198399305.db2.gz YKSARXRWAHMHOP-IEBWSBKVSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000105449092 1199541322 /nfs/dbraw/zinc/54/13/22/1199541322.db2.gz HSKCLWCGVCMGNQ-UHFFFAOYSA-N 2 1 314.477 3.449 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000405850352 1199600109 /nfs/dbraw/zinc/60/01/09/1199600109.db2.gz XDCXOLYGLNDJHR-UHFFFAOYSA-N 2 1 318.461 3.085 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C(C)(C)C ZINC000116379213 1199797552 /nfs/dbraw/zinc/79/75/52/1199797552.db2.gz GEEQNZPTBDNFKW-SFHVURJKSA-N 2 1 314.477 3.328 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000317420114 1199824589 /nfs/dbraw/zinc/82/45/89/1199824589.db2.gz QCRQKEMYGQNWGU-HIEASXQVSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000317420114 1199824591 /nfs/dbraw/zinc/82/45/91/1199824591.db2.gz QCRQKEMYGQNWGU-HIEASXQVSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000318775164 1199834554 /nfs/dbraw/zinc/83/45/54/1199834554.db2.gz WUQWJSFXRFBASO-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000318775164 1199834557 /nfs/dbraw/zinc/83/45/57/1199834557.db2.gz WUQWJSFXRFBASO-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344054 1199837918 /nfs/dbraw/zinc/83/79/18/1199837918.db2.gz RFXVJYLAPWUECG-CRAIPNDOSA-N 2 1 315.848 3.449 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344054 1199837922 /nfs/dbraw/zinc/83/79/22/1199837922.db2.gz RFXVJYLAPWUECG-CRAIPNDOSA-N 2 1 315.848 3.449 20 0 DGADMP Clc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc2c1OCO2 ZINC000320044275 1199843921 /nfs/dbraw/zinc/84/39/21/1199843921.db2.gz XINYJKOQJAYXQC-GFCCVEGCSA-N 2 1 322.836 3.033 20 0 DGADMP Clc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc2c1OCO2 ZINC000320044275 1199843924 /nfs/dbraw/zinc/84/39/24/1199843924.db2.gz XINYJKOQJAYXQC-GFCCVEGCSA-N 2 1 322.836 3.033 20 0 DGADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)cnc12 ZINC000120790167 1200169836 /nfs/dbraw/zinc/16/98/36/1200169836.db2.gz XQXHVDQNUOIXBJ-KRWDZBQOSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)cnc12 ZINC000120790167 1200169840 /nfs/dbraw/zinc/16/98/40/1200169840.db2.gz XQXHVDQNUOIXBJ-KRWDZBQOSA-N 2 1 314.477 3.100 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000120763270 1200170445 /nfs/dbraw/zinc/17/04/45/1200170445.db2.gz HJCBIMFIIQQYNX-OAHLLOKOSA-N 2 1 300.450 3.021 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000120761742 1200170531 /nfs/dbraw/zinc/17/05/31/1200170531.db2.gz ZPACXPBLNOTHDL-MRXNPFEDSA-N 2 1 306.498 3.096 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000120761742 1200170536 /nfs/dbraw/zinc/17/05/36/1200170536.db2.gz ZPACXPBLNOTHDL-MRXNPFEDSA-N 2 1 306.498 3.096 20 0 DGADMP Cc1cccn2c(C[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)cnc12 ZINC000120790339 1200170676 /nfs/dbraw/zinc/17/06/76/1200170676.db2.gz XQXHVDQNUOIXBJ-QGZVFWFLSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1cccn2c(C[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)cnc12 ZINC000120790339 1200170679 /nfs/dbraw/zinc/17/06/79/1200170679.db2.gz XQXHVDQNUOIXBJ-QGZVFWFLSA-N 2 1 314.477 3.100 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CCc2ccc(OC)cc2C1)[NH+]1CCCC1 ZINC000121039751 1200190377 /nfs/dbraw/zinc/19/03/77/1200190377.db2.gz DJDFHZIUWQUWSM-ZWKOTPCHSA-N 2 1 302.462 3.017 20 0 DGADMP Cc1cccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]1 ZINC000121598892 1200224070 /nfs/dbraw/zinc/22/40/70/1200224070.db2.gz DGNYZPAJVTUBDZ-UHFFFAOYSA-N 2 1 311.429 3.477 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000121826676 1200240295 /nfs/dbraw/zinc/24/02/95/1200240295.db2.gz VZGJQFSEIVEGAB-HOTGVXAUSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000121841957 1200241905 /nfs/dbraw/zinc/24/19/05/1200241905.db2.gz HLONEGDWSMHXIH-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000123637141 1200281399 /nfs/dbraw/zinc/28/13/99/1200281399.db2.gz GDLYGYHFOFCXRS-OAHLLOKOSA-N 2 1 313.445 3.150 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000123637141 1200281405 /nfs/dbraw/zinc/28/14/05/1200281405.db2.gz GDLYGYHFOFCXRS-OAHLLOKOSA-N 2 1 313.445 3.150 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000126425577 1200542851 /nfs/dbraw/zinc/54/28/51/1200542851.db2.gz DFRSLXUWDOCAKY-UHFFFAOYSA-N 2 1 317.477 3.225 20 0 DGADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001755162311 1200668540 /nfs/dbraw/zinc/66/85/40/1200668540.db2.gz SSVVFKYQKFGZJY-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001755162311 1200668542 /nfs/dbraw/zinc/66/85/42/1200668542.db2.gz SSVVFKYQKFGZJY-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001755162311 1200668544 /nfs/dbraw/zinc/66/85/44/1200668544.db2.gz SSVVFKYQKFGZJY-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000130160833 1200842341 /nfs/dbraw/zinc/84/23/41/1200842341.db2.gz UXQRFSLCKNUTHC-UHFFFAOYSA-N 2 1 301.409 3.336 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001692199815 1200965379 /nfs/dbraw/zinc/96/53/79/1200965379.db2.gz SDIRJXMXCPRLDB-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001755701520 1201027407 /nfs/dbraw/zinc/02/74/07/1201027407.db2.gz PKIUKJLQDVMHTR-YQVWRLOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001700324432 1202236890 /nfs/dbraw/zinc/23/68/90/1202236890.db2.gz UTYDDNIVWCZQSM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001700531896 1202306873 /nfs/dbraw/zinc/30/68/73/1202306873.db2.gz QYYIBFKIDKFTKU-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000151389316 1202592257 /nfs/dbraw/zinc/59/22/57/1202592257.db2.gz UBNRBQODDBHVRG-UHFFFAOYSA-N 2 1 316.424 3.178 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000234329663 1202603427 /nfs/dbraw/zinc/60/34/27/1202603427.db2.gz WEVFBLCIXKLGEW-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000234329663 1202603428 /nfs/dbraw/zinc/60/34/28/1202603428.db2.gz WEVFBLCIXKLGEW-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000236914427 1202635172 /nfs/dbraw/zinc/63/51/72/1202635172.db2.gz WGWKCERDQJTPMR-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000236915541 1202635247 /nfs/dbraw/zinc/63/52/47/1202635247.db2.gz RWEQJRBHOMRTIF-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001713431000 1202649105 /nfs/dbraw/zinc/64/91/05/1202649105.db2.gz GQWGWPIQESBGFE-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713431000 1202649106 /nfs/dbraw/zinc/64/91/06/1202649106.db2.gz GQWGWPIQESBGFE-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713431000 1202649107 /nfs/dbraw/zinc/64/91/07/1202649107.db2.gz GQWGWPIQESBGFE-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000237327375 1202670901 /nfs/dbraw/zinc/67/09/01/1202670901.db2.gz QSTZEVIRFIDQAA-HNNXBMFYSA-N 2 1 310.441 3.422 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000237426084 1202673847 /nfs/dbraw/zinc/67/38/47/1202673847.db2.gz YCAXDEMPYLQIKE-HXUWFJFHSA-N 2 1 324.468 3.349 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000237687165 1202689466 /nfs/dbraw/zinc/68/94/66/1202689466.db2.gz KFFWPYUYGNYUJJ-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001725225966 1204121645 /nfs/dbraw/zinc/12/16/45/1204121645.db2.gz GOECQVHKZFUVAW-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001725617883 1204181075 /nfs/dbraw/zinc/18/10/75/1204181075.db2.gz CWABTVHVKIPREL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731692984 1204507002 /nfs/dbraw/zinc/50/70/02/1204507002.db2.gz QFBBLCRRMATWAM-JKSUJKDBSA-N 2 1 323.525 3.065 20 0 DGADMP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733055147 1205006431 /nfs/dbraw/zinc/00/64/31/1205006431.db2.gz SSBSNVLBWVPMPT-VUOWKATKSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733055147 1205006436 /nfs/dbraw/zinc/00/64/36/1205006436.db2.gz SSBSNVLBWVPMPT-VUOWKATKSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C/CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733055147 1205006442 /nfs/dbraw/zinc/00/64/42/1205006442.db2.gz SSBSNVLBWVPMPT-VUOWKATKSA-N 2 1 323.525 3.042 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205917305 1091410943 /nfs/dbraw/zinc/41/09/43/1091410943.db2.gz YHXRXOKOKAYLJR-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256214184 1106392318 /nfs/dbraw/zinc/39/23/18/1106392318.db2.gz ICBNZTNPBYNOML-OLZOCXBDSA-N 2 1 313.283 3.297 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206012238 1081579089 /nfs/dbraw/zinc/57/90/89/1081579089.db2.gz JFZUBJZBLKZNBT-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1 ZINC001206767657 1081616227 /nfs/dbraw/zinc/61/62/27/1081616227.db2.gz DFPOSHSCMZBIBQ-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1 ZINC001206767657 1081616231 /nfs/dbraw/zinc/61/62/31/1081616231.db2.gz DFPOSHSCMZBIBQ-NEPJUHHUSA-N 2 1 316.367 3.273 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(OCc3ccccc3F)CC2)C1 ZINC001208606366 1081636446 /nfs/dbraw/zinc/63/64/46/1081636446.db2.gz FEKNTKRDBKRGCO-MRXNPFEDSA-N 2 1 320.452 3.149 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001208614727 1081637201 /nfs/dbraw/zinc/63/72/01/1081637201.db2.gz FPMQRKDSUAFRCC-FQEVSTJZSA-N 3 1 321.553 3.162 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](C[C@H]3CCCN(C)C3)CC2)CC1 ZINC001208614727 1081637206 /nfs/dbraw/zinc/63/72/06/1081637206.db2.gz FPMQRKDSUAFRCC-FQEVSTJZSA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+](C)CCC(C)(C)Nc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001169716508 1081637930 /nfs/dbraw/zinc/63/79/30/1081637930.db2.gz SXFWCRVNGLHBFH-MRXNPFEDSA-N 2 1 304.482 3.381 20 0 DGADMP C[N@@H+](CC1COC(C)(C)OC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001209202076 1081697151 /nfs/dbraw/zinc/69/71/51/1081697151.db2.gz YQQJPCSTMGEINI-UHFFFAOYSA-N 2 1 324.509 3.114 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209453354 1081756258 /nfs/dbraw/zinc/75/62/58/1081756258.db2.gz FOWITVJFJJRZAG-GOSISDBHSA-N 2 1 302.462 3.361 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)C1CCN(C)CC1 ZINC001204447246 1081768811 /nfs/dbraw/zinc/76/88/11/1081768811.db2.gz HUDRSISTBPSEHU-UHFFFAOYSA-N 2 1 312.461 3.015 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C1CCN(C)CC1 ZINC001204447246 1081768815 /nfs/dbraw/zinc/76/88/15/1081768815.db2.gz HUDRSISTBPSEHU-UHFFFAOYSA-N 2 1 312.461 3.015 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001167254921 1081850989 /nfs/dbraw/zinc/85/09/89/1081850989.db2.gz BASNUZPIOUAYGO-IEBWSBKVSA-N 2 1 308.510 3.245 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001167308225 1081933563 /nfs/dbraw/zinc/93/35/63/1081933563.db2.gz KBIHJHFGRXQPMS-KRWDZBQOSA-N 2 1 321.428 3.036 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170111177 1082109078 /nfs/dbraw/zinc/10/90/78/1082109078.db2.gz AYQAONUZVDNYCB-QFBILLFUSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]1C[C@H](n2cncc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231222 1082114250 /nfs/dbraw/zinc/11/42/50/1082114250.db2.gz WUUXUMBADGEMLV-LPHOPBHVSA-N 3 1 324.472 3.186 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143385535 1082127867 /nfs/dbraw/zinc/12/78/67/1082127867.db2.gz WCGBCLZCRASMRO-UHFFFAOYSA-N 2 1 313.420 3.468 20 0 DGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001170137634 1082180068 /nfs/dbraw/zinc/18/00/68/1082180068.db2.gz PEDCDSZWJUWYHD-SJLPKXTDSA-N 2 1 316.493 3.039 20 0 DGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001170137633 1082180609 /nfs/dbraw/zinc/18/06/09/1082180609.db2.gz PEDCDSZWJUWYHD-FUHWJXTLSA-N 2 1 316.493 3.039 20 0 DGADMP C[NH+]1C(C)(C)CC(Nc2cc[nH+]c(N3CCCC3)n2)CC1(C)C ZINC001170453561 1082483032 /nfs/dbraw/zinc/48/30/32/1082483032.db2.gz NQMJZJQSZJOLLT-UHFFFAOYSA-N 2 1 317.481 3.140 20 0 DGADMP CC[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC001167552948 1082505009 /nfs/dbraw/zinc/50/50/09/1082505009.db2.gz AQNLIHIBUSONRZ-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OC ZINC001167552948 1082505013 /nfs/dbraw/zinc/50/50/13/1082505013.db2.gz AQNLIHIBUSONRZ-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OC ZINC001167552948 1082505014 /nfs/dbraw/zinc/50/50/14/1082505014.db2.gz AQNLIHIBUSONRZ-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001170599251 1082819957 /nfs/dbraw/zinc/81/99/57/1082819957.db2.gz MNRKTAYHLFIMPC-GBESFXJTSA-N 2 1 309.542 3.446 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211761 1082840123 /nfs/dbraw/zinc/84/01/23/1082840123.db2.gz QZFMGXFQFKMCDV-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000708548648 1082843577 /nfs/dbraw/zinc/84/35/77/1082843577.db2.gz BOUBYBJUKVGENQ-BHIYHBOVSA-N 2 1 300.446 3.037 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001134773715 1083330070 /nfs/dbraw/zinc/33/00/70/1083330070.db2.gz QSAJESDECSCBLD-CVEARBPZSA-N 2 1 323.525 3.090 20 0 DGADMP CC[C@@H](CC1CCCCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001181196260 1083426992 /nfs/dbraw/zinc/42/69/92/1083426992.db2.gz JYQNMUOVHXOILP-SFHVURJKSA-N 2 1 309.542 3.351 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001181864766 1083561547 /nfs/dbraw/zinc/56/15/47/1083561547.db2.gz HAZPOFDGSSWUBZ-UHFFFAOYSA-N 2 1 319.493 3.241 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(N2CCCC2)nc1 ZINC001167752027 1083626351 /nfs/dbraw/zinc/62/63/51/1083626351.db2.gz BGQSLEGLBRJDTG-INIZCTEOSA-N 2 1 302.466 3.358 20 0 DGADMP CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001481352370 1083807124 /nfs/dbraw/zinc/80/71/24/1083807124.db2.gz UOUSYDLCZAHQKN-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001481352370 1083807134 /nfs/dbraw/zinc/80/71/34/1083807134.db2.gz UOUSYDLCZAHQKN-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001481352370 1083807148 /nfs/dbraw/zinc/80/71/48/1083807148.db2.gz UOUSYDLCZAHQKN-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC001183064995 1083871439 /nfs/dbraw/zinc/87/14/39/1083871439.db2.gz CDKCSVAZVRYYQY-MAUKXSAKSA-N 2 1 318.461 3.025 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205255475 1083879248 /nfs/dbraw/zinc/87/92/48/1083879248.db2.gz JGLSDFUKPXUINA-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1cccc(N2CCCC[C@@H]2C)[nH+]1 ZINC001167786096 1083933697 /nfs/dbraw/zinc/93/36/97/1083933697.db2.gz JJMZULXGYZYCPJ-ZDUSSCGKSA-N 2 1 311.433 3.358 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3scnc3c2)CCN1c1cc[nH+]cc1 ZINC001183534591 1083974097 /nfs/dbraw/zinc/97/40/97/1083974097.db2.gz RFXQZRIXEOSPMC-AWEZNQCLSA-N 2 1 324.453 3.402 20 0 DGADMP CC[NH+]1CCC(CN2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC001183685249 1083996625 /nfs/dbraw/zinc/99/66/25/1083996625.db2.gz JRVZROYFBYGKLR-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288692 1084082714 /nfs/dbraw/zinc/08/27/14/1084082714.db2.gz NJQCNGKHZHRTKL-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288692 1084082722 /nfs/dbraw/zinc/08/27/22/1084082722.db2.gz NJQCNGKHZHRTKL-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP CC[C@@H]1[N@H+]([C@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2 ZINC001167823168 1084105251 /nfs/dbraw/zinc/10/52/51/1084105251.db2.gz JOWMTPFAABRQMT-AOIWGVFYSA-N 2 1 323.525 3.020 20 0 DGADMP CC[C@@H]1[N@H+]([C@@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2 ZINC001167823185 1084105865 /nfs/dbraw/zinc/10/58/65/1084105865.db2.gz JOWMTPFAABRQMT-LNLFQRSKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001167825843 1084118101 /nfs/dbraw/zinc/11/81/01/1084118101.db2.gz LBGRRDARXRACPI-OAHLLOKOSA-N 2 1 318.461 3.299 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001167825843 1084118104 /nfs/dbraw/zinc/11/81/04/1084118104.db2.gz LBGRRDARXRACPI-OAHLLOKOSA-N 2 1 318.461 3.299 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001167827008 1084120729 /nfs/dbraw/zinc/12/07/29/1084120729.db2.gz SZSCXZBSBCCBOL-GOEBONIOSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001167827008 1084120732 /nfs/dbraw/zinc/12/07/32/1084120732.db2.gz SZSCXZBSBCCBOL-GOEBONIOSA-N 2 1 308.470 3.416 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001167835719 1084158283 /nfs/dbraw/zinc/15/82/83/1084158283.db2.gz UEFYODOERMXJCU-FGTMMUONSA-N 2 1 313.505 3.005 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001167835719 1084158285 /nfs/dbraw/zinc/15/82/85/1084158285.db2.gz UEFYODOERMXJCU-FGTMMUONSA-N 2 1 313.505 3.005 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC001167837923 1084163129 /nfs/dbraw/zinc/16/31/29/1084163129.db2.gz NYEXSXLWQGRGOM-OAHLLOKOSA-N 2 1 306.450 3.358 20 0 DGADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167839536 1084163653 /nfs/dbraw/zinc/16/36/53/1084163653.db2.gz ZIOBNDOYLPHFEW-SJORKVTESA-N 2 1 312.498 3.162 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205295680 1084166568 /nfs/dbraw/zinc/16/65/68/1084166568.db2.gz AYEYPZYNVROIHP-OCCSQVGLSA-N 2 1 300.368 3.165 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1C ZINC001205296664 1084178119 /nfs/dbraw/zinc/17/81/19/1084178119.db2.gz SHBQKQSVGYUVDU-GOSISDBHSA-N 2 1 305.466 3.272 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1C ZINC001205296664 1084178128 /nfs/dbraw/zinc/17/81/28/1084178128.db2.gz SHBQKQSVGYUVDU-GOSISDBHSA-N 2 1 305.466 3.272 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)C[C@H]1C[NH3+] ZINC001205306404 1084248374 /nfs/dbraw/zinc/24/83/74/1084248374.db2.gz WGAGAOCAOCBWHA-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C[C@H]1C[NH3+] ZINC001205306404 1084248384 /nfs/dbraw/zinc/24/83/84/1084248384.db2.gz WGAGAOCAOCBWHA-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268159228 1084254739 /nfs/dbraw/zinc/25/47/39/1084254739.db2.gz LUFOGAVYLGETOP-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001268195029 1084305827 /nfs/dbraw/zinc/30/58/27/1084305827.db2.gz YKWQOPVJXYCUNM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001268195029 1084305836 /nfs/dbraw/zinc/30/58/36/1084305836.db2.gz YKWQOPVJXYCUNM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268195029 1084305842 /nfs/dbraw/zinc/30/58/42/1084305842.db2.gz YKWQOPVJXYCUNM-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709991580 1084891280 /nfs/dbraw/zinc/89/12/80/1084891280.db2.gz IPPOVKHZDMQFFR-ZDUSSCGKSA-N 2 1 323.278 3.066 20 0 DGADMP Cc1cccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cnc12 ZINC001167961416 1085708992 /nfs/dbraw/zinc/70/89/92/1085708992.db2.gz KCVXVIMWGDRKIF-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP Cc1cccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cnc12 ZINC001167961416 1085708998 /nfs/dbraw/zinc/70/89/98/1085708998.db2.gz KCVXVIMWGDRKIF-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP c1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965454 1085855188 /nfs/dbraw/zinc/85/51/88/1085855188.db2.gz GMZVIQSCJOBKMR-YQQQUEKLSA-N 2 1 314.473 3.451 20 0 DGADMP CCOC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975462 1085920866 /nfs/dbraw/zinc/92/08/66/1085920866.db2.gz PUBAEOGIKKJEPR-PNIOZXJOSA-N 2 1 306.494 3.329 20 0 DGADMP c1cncc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995652 1086063926 /nfs/dbraw/zinc/06/39/26/1086063926.db2.gz MZEPCLBPTOBMTO-WRURNZQNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cncc([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995652 1086063937 /nfs/dbraw/zinc/06/39/37/1086063937.db2.gz MZEPCLBPTOBMTO-WRURNZQNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cncc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995652 1086063944 /nfs/dbraw/zinc/06/39/44/1086063944.db2.gz MZEPCLBPTOBMTO-WRURNZQNSA-N 2 1 311.473 3.276 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756721 1086166831 /nfs/dbraw/zinc/16/68/31/1086166831.db2.gz RXLQLECQJKZKBX-QFBILLFUSA-N 2 1 318.505 3.212 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cnoc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031938 1086464934 /nfs/dbraw/zinc/46/49/34/1086464934.db2.gz GBDBHYSJCLEVCH-HGKCTWBKSA-N 2 1 313.445 3.248 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1O ZINC001168041024 1086505166 /nfs/dbraw/zinc/50/51/66/1086505166.db2.gz QHXULLDUPGIZCH-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1O ZINC001168041024 1086505174 /nfs/dbraw/zinc/50/51/74/1086505174.db2.gz QHXULLDUPGIZCH-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1O ZINC001168041024 1086505177 /nfs/dbraw/zinc/50/51/77/1086505177.db2.gz QHXULLDUPGIZCH-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1O ZINC001168041024 1086505191 /nfs/dbraw/zinc/50/51/91/1086505191.db2.gz QHXULLDUPGIZCH-VROUVPMXSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC([NH+]2CCSCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168049249 1086574279 /nfs/dbraw/zinc/57/42/79/1086574279.db2.gz ZJZAQFTVJVFOAA-HZPDHXFCSA-N 2 1 304.503 3.477 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168050682 1086589679 /nfs/dbraw/zinc/58/96/79/1086589679.db2.gz CGZYXTRAINVNKS-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168050682 1086589685 /nfs/dbraw/zinc/58/96/85/1086589685.db2.gz CGZYXTRAINVNKS-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050682 1086589690 /nfs/dbraw/zinc/58/96/90/1086589690.db2.gz CGZYXTRAINVNKS-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050682 1086589703 /nfs/dbraw/zinc/58/97/03/1086589703.db2.gz CGZYXTRAINVNKS-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050682 1086589710 /nfs/dbraw/zinc/58/97/10/1086589710.db2.gz CGZYXTRAINVNKS-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001168085838 1086782769 /nfs/dbraw/zinc/78/27/69/1086782769.db2.gz BYSYWFRYXNZQFJ-ONSCTEFMSA-N 2 1 314.473 3.339 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256253 1087075229 /nfs/dbraw/zinc/07/52/29/1087075229.db2.gz CXBZFJABSIKNRO-GUDVDZBRSA-N 2 1 316.489 3.390 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)C2 ZINC001168272143 1087192164 /nfs/dbraw/zinc/19/21/64/1087192164.db2.gz GYNQHENQRDOWIH-LJQANCHMSA-N 2 1 316.489 3.215 20 0 DGADMP C[NH+](C)C1CCC([NH+]2CCN(CC3CCCCC3)CC2)CC1 ZINC001168316478 1087291789 /nfs/dbraw/zinc/29/17/89/1087291789.db2.gz ZBRPKGSZQXOVNA-UHFFFAOYSA-N 2 1 307.526 3.057 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323044 1087293353 /nfs/dbraw/zinc/29/33/53/1087293353.db2.gz OKQVVFRYEFQOQX-JCYILVPMSA-N 2 1 318.461 3.021 20 0 DGADMP CC(C)c1noc([C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168326965 1087294704 /nfs/dbraw/zinc/29/47/04/1087294704.db2.gz GQTDNPBMXHYZMC-FHERZECASA-N 2 1 320.481 3.245 20 0 DGADMP COc1cccc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)c1OC ZINC001168327539 1087295391 /nfs/dbraw/zinc/29/53/91/1087295391.db2.gz ODAZFUREHQPGJO-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1CCC([NH+](C)C)CC1 ZINC001168329239 1087295932 /nfs/dbraw/zinc/29/59/32/1087295932.db2.gz RDQPSIGPYAFXLE-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1F ZINC001212142852 1087530475 /nfs/dbraw/zinc/53/04/75/1087530475.db2.gz UREZJWOOHBXAGZ-AWEZNQCLSA-N 2 1 320.412 3.352 20 0 DGADMP c1cn(C2CC[NH+](CC3CC3)CC2)nc1C[NH2+]Cc1ccccc1 ZINC001168388248 1087547970 /nfs/dbraw/zinc/54/79/70/1087547970.db2.gz CVWMPDPMIODXMK-UHFFFAOYSA-N 2 1 324.472 3.220 20 0 DGADMP c1ccc(COC[C@H]2CC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168391670 1087549918 /nfs/dbraw/zinc/54/99/18/1087549918.db2.gz MLOBPANITCJEJE-HXUWFJFHSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168391670 1087549921 /nfs/dbraw/zinc/54/99/21/1087549921.db2.gz MLOBPANITCJEJE-HXUWFJFHSA-N 2 1 314.473 3.152 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)[C@H](C)C1 ZINC001168419896 1087599936 /nfs/dbraw/zinc/59/99/36/1087599936.db2.gz FNLARDTUXWVFBZ-ZMYBRWDISA-N 2 1 304.453 3.391 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)[C@H](C)C1 ZINC001168419894 1087600038 /nfs/dbraw/zinc/60/00/38/1087600038.db2.gz FNLARDTUXWVFBZ-MDASCCDHSA-N 2 1 304.453 3.391 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313429 1088214315 /nfs/dbraw/zinc/21/43/15/1088214315.db2.gz QPWFFQDWUOOARK-MHEJJFAZSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313429 1088214332 /nfs/dbraw/zinc/21/43/32/1088214332.db2.gz QPWFFQDWUOOARK-MHEJJFAZSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313429 1088214348 /nfs/dbraw/zinc/21/43/48/1088214348.db2.gz QPWFFQDWUOOARK-MHEJJFAZSA-N 2 1 323.525 3.042 20 0 DGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)[nH+]1 ZINC001155097112 1088942230 /nfs/dbraw/zinc/94/22/30/1088942230.db2.gz VJUYFXZYNYUEOV-LJQANCHMSA-N 2 1 318.424 3.291 20 0 DGADMP Cc1[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)cc2[nH]ccc21 ZINC001155096509 1088944692 /nfs/dbraw/zinc/94/46/92/1088944692.db2.gz RVLLKKDSSCIFAB-LJQANCHMSA-N 2 1 318.424 3.291 20 0 DGADMP COc1cc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]c2ccccc21 ZINC001155117423 1088958155 /nfs/dbraw/zinc/95/81/55/1088958155.db2.gz FZUTYHBWGAZPJQ-QGZVFWFLSA-N 2 1 303.381 3.137 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)nc1 ZINC001155188519 1088998949 /nfs/dbraw/zinc/99/89/49/1088998949.db2.gz LFCFDWKQJMDFNB-OIISXLGYSA-N 2 1 302.466 3.181 20 0 DGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226850 1089014932 /nfs/dbraw/zinc/01/49/32/1089014932.db2.gz OQTGFSCNPKUGJC-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226850 1089014948 /nfs/dbraw/zinc/01/49/48/1089014948.db2.gz OQTGFSCNPKUGJC-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226850 1089014962 /nfs/dbraw/zinc/01/49/62/1089014962.db2.gz OQTGFSCNPKUGJC-ICUWKNINSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612253 1089185157 /nfs/dbraw/zinc/18/51/57/1089185157.db2.gz RGDYLMRMCSTWSA-QZTJIDSGSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518483 1089271731 /nfs/dbraw/zinc/27/17/31/1089271731.db2.gz DKVLAEVJPBJHAG-VOTSOKGWSA-N 2 1 323.525 3.092 20 0 DGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(NCCn2cc[nH+]c2C)nc1 ZINC001156008883 1089341575 /nfs/dbraw/zinc/34/15/75/1089341575.db2.gz FGEYAADAJLZGMD-QGZVFWFLSA-N 2 1 313.449 3.246 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NCCn2cc[nH+]c2C)nc1 ZINC001156008883 1089341591 /nfs/dbraw/zinc/34/15/91/1089341591.db2.gz FGEYAADAJLZGMD-QGZVFWFLSA-N 2 1 313.449 3.246 20 0 DGADMP Cc1ccc2nc(Cl)cc(NCC[NH+]3CCC([NH3+])CC3)c2c1 ZINC001161867871 1089445635 /nfs/dbraw/zinc/44/56/35/1089445635.db2.gz UAZIVYJOXABPRS-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP CN(C)c1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC001161885400 1089455639 /nfs/dbraw/zinc/45/56/39/1089455639.db2.gz NBUIQTFAKQYKTO-KRWDZBQOSA-N 2 1 310.445 3.224 20 0 DGADMP CN(C)c1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC001161885400 1089455642 /nfs/dbraw/zinc/45/56/42/1089455642.db2.gz NBUIQTFAKQYKTO-KRWDZBQOSA-N 2 1 310.445 3.224 20 0 DGADMP c1cc2c[nH+]c(NCc3ccc(C[NH+]4CCOCC4)cc3)cc2[nH]1 ZINC001156388614 1089502790 /nfs/dbraw/zinc/50/27/90/1089502790.db2.gz HNDLWWULRNXWBF-UHFFFAOYSA-N 2 1 322.412 3.007 20 0 DGADMP Cc1[nH]c2nc[nH+]c(NCC3CC[NH+](C(C)C)CC3)c2c1C ZINC001156501573 1089551603 /nfs/dbraw/zinc/55/16/03/1089551603.db2.gz WZJOIQCBUGTSST-UHFFFAOYSA-N 2 1 301.438 3.107 20 0 DGADMP CC(C)(C)OC(=O)Nc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC001162395045 1089711176 /nfs/dbraw/zinc/71/11/76/1089711176.db2.gz BOZBYEQUOROPGC-NEPJUHHUSA-N 2 1 306.410 3.110 20 0 DGADMP CC(C)(C)OC(=O)Nc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC001162395051 1089711530 /nfs/dbraw/zinc/71/15/30/1089711530.db2.gz BOZBYEQUOROPGC-VXGBXAGGSA-N 2 1 306.410 3.110 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162395842 1089712724 /nfs/dbraw/zinc/71/27/24/1089712724.db2.gz WACXQXMYMJMMSS-OIISXLGYSA-N 2 1 302.466 3.138 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001162459044 1089742667 /nfs/dbraw/zinc/74/26/67/1089742667.db2.gz BOGWOYFERUFBLL-RYRKJORJSA-N 2 1 316.493 3.286 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001162470061 1089750394 /nfs/dbraw/zinc/75/03/94/1089750394.db2.gz HRCDOOJYSJZZJO-KBAYOESNSA-N 2 1 301.478 3.153 20 0 DGADMP c1c[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c(C2CCOCC2)c1 ZINC001162807899 1089964653 /nfs/dbraw/zinc/96/46/53/1089964653.db2.gz TXAPDZWMGROISA-UHFFFAOYSA-N 2 1 323.440 3.233 20 0 DGADMP CCC[N@H+]1C[C@H]2CN(c3cc(OC)c4ccccc4[nH+]3)C[C@H]2C1 ZINC001157692771 1090078379 /nfs/dbraw/zinc/07/83/79/1090078379.db2.gz SLZOIBVBKVGSNA-GASCZTMLSA-N 2 1 311.429 3.021 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(c3cc(OC)c4ccccc4[nH+]3)C[C@H]2C1 ZINC001157692771 1090078392 /nfs/dbraw/zinc/07/83/92/1090078392.db2.gz SLZOIBVBKVGSNA-GASCZTMLSA-N 2 1 311.429 3.021 20 0 DGADMP Cc1cccc2c1cc[nH+]c2N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001163133379 1090085772 /nfs/dbraw/zinc/08/57/72/1090085772.db2.gz GDRZSJALAXVRKW-UHFFFAOYSA-N 2 1 320.440 3.089 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(CC[NH2+]C)C(C)(C)C)nc1 ZINC001157836539 1090126396 /nfs/dbraw/zinc/12/63/96/1090126396.db2.gz KOUVDEOJWFDYHI-QGZVFWFLSA-N 2 1 318.509 3.453 20 0 DGADMP CC/C=C/CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485357828 1090132592 /nfs/dbraw/zinc/13/25/92/1090132592.db2.gz LXOKSYFKKGYFCI-IBQUMJASSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1ccc2cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]cc2c1 ZINC001163273553 1090137186 /nfs/dbraw/zinc/13/71/86/1090137186.db2.gz ZMHRJHRFPMOXLU-KXBFYZLASA-N 2 1 311.429 3.114 20 0 DGADMP Cc1[nH]c2nc[nH+]c(NC3CCC(C[NH+](C)C)CC3)c2c1C ZINC001163299362 1090143808 /nfs/dbraw/zinc/14/38/08/1090143808.db2.gz URAMWPLEZCOCDB-UHFFFAOYSA-N 2 1 301.438 3.107 20 0 DGADMP Cc1cnc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1NC(C)C ZINC001163358581 1090162392 /nfs/dbraw/zinc/16/23/92/1090162392.db2.gz UYLQTPZFLVJZTL-CABCVRRESA-N 2 1 305.470 3.136 20 0 DGADMP C[N@@H+](Cc1ccc(CO)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001203196083 1090203049 /nfs/dbraw/zinc/20/30/49/1090203049.db2.gz YTRYXGDSQQKJOP-UHFFFAOYSA-N 2 1 316.489 3.408 20 0 DGADMP Cc1cc[nH+]c2cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)ccc12 ZINC001163649766 1090223935 /nfs/dbraw/zinc/22/39/35/1090223935.db2.gz CXKRYXHVMMKWOA-RBUKOAKNSA-N 2 1 311.429 3.256 20 0 DGADMP Cc1[nH+]ccn1CCNc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC001163924441 1090287912 /nfs/dbraw/zinc/28/79/12/1090287912.db2.gz XAQVSQZXTZIOMU-UHFFFAOYSA-N 2 1 320.318 3.293 20 0 DGADMP C[NH+](C)Cc1cccc(CNc2cc(N)cc(C(F)(F)F)[nH+]2)c1 ZINC001163992321 1090309859 /nfs/dbraw/zinc/30/98/59/1090309859.db2.gz FUMJGDOKXUIDFX-UHFFFAOYSA-N 2 1 324.350 3.356 20 0 DGADMP Cc1cc(Cl)cc(C)c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164210681 1090373325 /nfs/dbraw/zinc/37/33/25/1090373325.db2.gz GEZQUIFIWGASOJ-UHFFFAOYSA-N 2 1 309.885 3.395 20 0 DGADMP Cc1c(N)cc[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001164486259 1090431709 /nfs/dbraw/zinc/43/17/09/1090431709.db2.gz MKMWDBWBLRFNFC-ZIFCJYIRSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1c[nH+]c(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc1N ZINC001165180889 1090475480 /nfs/dbraw/zinc/47/54/80/1090475480.db2.gz HHSSUPYHAPQVKY-BEFAXECRSA-N 2 1 324.472 3.319 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cccc(N)[nH+]1 ZINC001165184554 1090476488 /nfs/dbraw/zinc/47/64/88/1090476488.db2.gz WUPHYVBKOCFOMB-WBVHZDCISA-N 2 1 310.445 3.011 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cccc(N)[nH+]1 ZINC001165184554 1090476491 /nfs/dbraw/zinc/47/64/91/1090476491.db2.gz WUPHYVBKOCFOMB-WBVHZDCISA-N 2 1 310.445 3.011 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc1 ZINC001165449774 1090522999 /nfs/dbraw/zinc/52/29/99/1090522999.db2.gz KPKNMRYDBGMDQQ-JZXOWHBKSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@H]1c1ccc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc1 ZINC001165449774 1090523002 /nfs/dbraw/zinc/52/30/02/1090523002.db2.gz KPKNMRYDBGMDQQ-JZXOWHBKSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@H]1c1ccc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC001165449774 1090523004 /nfs/dbraw/zinc/52/30/04/1090523004.db2.gz KPKNMRYDBGMDQQ-JZXOWHBKSA-N 2 1 316.493 3.157 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H](C)C3)CC2)oc1C ZINC001649090655 1090594295 /nfs/dbraw/zinc/59/42/95/1090594295.db2.gz JHBAVHDPTFARPJ-CXAGYDPISA-N 2 1 305.466 3.282 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2nonc21 ZINC001203140406 1090700019 /nfs/dbraw/zinc/70/00/19/1090700019.db2.gz PFTIADSSCDPVSF-HOTGVXAUSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2nonc21 ZINC001203140406 1090700022 /nfs/dbraw/zinc/70/00/22/1090700022.db2.gz PFTIADSSCDPVSF-HOTGVXAUSA-N 2 1 314.433 3.062 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2nonc21 ZINC001203140406 1090700025 /nfs/dbraw/zinc/70/00/25/1090700025.db2.gz PFTIADSSCDPVSF-HOTGVXAUSA-N 2 1 314.433 3.062 20 0 DGADMP CC1(C[NH+]2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)COC1 ZINC001276415172 1090774284 /nfs/dbraw/zinc/77/42/84/1090774284.db2.gz CQYCWYDVWBOKMM-IBGZPJMESA-N 2 1 306.494 3.144 20 0 DGADMP CC1(C[NH+]2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)COC1 ZINC001276415172 1090774288 /nfs/dbraw/zinc/77/42/88/1090774288.db2.gz CQYCWYDVWBOKMM-IBGZPJMESA-N 2 1 306.494 3.144 20 0 DGADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCO1 ZINC001276428186 1090835003 /nfs/dbraw/zinc/83/50/03/1090835003.db2.gz CSUUUEBRMNNGIT-JALIKCBVSA-N 2 1 320.399 3.093 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2ccccc12 ZINC001203992539 1090861181 /nfs/dbraw/zinc/86/11/81/1090861181.db2.gz JILFFWGCGLQQOS-WBVHZDCISA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c2ccccc12 ZINC001203992539 1090861192 /nfs/dbraw/zinc/86/11/92/1090861192.db2.gz JILFFWGCGLQQOS-WBVHZDCISA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c2ccccc12 ZINC001203992539 1090861199 /nfs/dbraw/zinc/86/11/99/1090861199.db2.gz JILFFWGCGLQQOS-WBVHZDCISA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c2ccccc12 ZINC001203997616 1090862434 /nfs/dbraw/zinc/86/24/34/1090862434.db2.gz VCDFLHWFMDMQND-OXQOHEQNSA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c2ccccc12 ZINC001203997616 1090862442 /nfs/dbraw/zinc/86/24/42/1090862442.db2.gz VCDFLHWFMDMQND-OXQOHEQNSA-N 2 1 310.441 3.232 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC001204088541 1090897937 /nfs/dbraw/zinc/89/79/37/1090897937.db2.gz GFFSCKBSABUASQ-ZLKJLUDKSA-N 2 1 316.417 3.165 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@@H]2C1 ZINC001204088541 1090897946 /nfs/dbraw/zinc/89/79/46/1090897946.db2.gz GFFSCKBSABUASQ-ZLKJLUDKSA-N 2 1 316.417 3.165 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)s2)o1 ZINC001204088915 1090897970 /nfs/dbraw/zinc/89/79/70/1090897970.db2.gz IMFMBHDXWHDWME-NWANDNLSSA-N 2 1 317.458 3.141 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)s2)o1 ZINC001204088915 1090897976 /nfs/dbraw/zinc/89/79/76/1090897976.db2.gz IMFMBHDXWHDWME-NWANDNLSSA-N 2 1 317.458 3.141 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCCCO1)Cc1ccccc12 ZINC001276445137 1090910314 /nfs/dbraw/zinc/91/03/14/1090910314.db2.gz ZASYBJFGVSGMAO-SFHVURJKSA-N 2 1 314.473 3.035 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001204165779 1090911420 /nfs/dbraw/zinc/91/14/20/1090911420.db2.gz HBCZXHMXPSIOJB-UHFFFAOYSA-N 2 1 315.461 3.440 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OCC)c1 ZINC001204191912 1090918334 /nfs/dbraw/zinc/91/83/34/1090918334.db2.gz AXKXXDHMCWYDIE-UHFFFAOYSA-N 2 1 308.466 3.258 20 0 DGADMP c1cnn(CCC[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001276451245 1090934957 /nfs/dbraw/zinc/93/49/57/1090934957.db2.gz UCBUASQRFIPERG-UHFFFAOYSA-N 2 1 316.493 3.004 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC001204269784 1090937543 /nfs/dbraw/zinc/93/75/43/1090937543.db2.gz JURAMYFAZFGLHG-KRWDZBQOSA-N 2 1 304.478 3.495 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)cccc1C(F)(F)F)CC2 ZINC001204465160 1090975507 /nfs/dbraw/zinc/97/55/07/1090975507.db2.gz WXSDKJAOMZDMIU-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCC2 ZINC001204492764 1090982635 /nfs/dbraw/zinc/98/26/35/1090982635.db2.gz GDHACVTVLAIRHU-IBGZPJMESA-N 2 1 314.473 3.462 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCC2 ZINC001204492764 1090982640 /nfs/dbraw/zinc/98/26/40/1090982640.db2.gz GDHACVTVLAIRHU-IBGZPJMESA-N 2 1 314.473 3.462 20 0 DGADMP Cc1ccc(C[NH+]2CCC([NH3+])CC2)c(OCc2ccccc2)c1 ZINC001204646197 1091011742 /nfs/dbraw/zinc/01/17/42/1091011742.db2.gz MSBAAAVHPQLVLK-UHFFFAOYSA-N 2 1 310.441 3.497 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)CC1 ZINC001204690359 1091018781 /nfs/dbraw/zinc/01/87/81/1091018781.db2.gz PWKVMUNQQWFUOQ-XLIONFOSSA-N 2 1 316.489 3.489 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001204735025 1091025318 /nfs/dbraw/zinc/02/53/18/1091025318.db2.gz JLTLTRNNCRLKQT-UHFFFAOYSA-N 2 1 317.477 3.225 20 0 DGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001204742093 1091027041 /nfs/dbraw/zinc/02/70/41/1091027041.db2.gz HKMFMKDZOFULIM-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP CC[N@@H+](CC1(C)CC[NH2+]CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204869997 1091051414 /nfs/dbraw/zinc/05/14/14/1091051414.db2.gz LHRCTZBQBUUJOX-INIZCTEOSA-N 2 1 304.478 3.338 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893895 1091057704 /nfs/dbraw/zinc/05/77/04/1091057704.db2.gz OXQWCZUPNTWVSY-OAHLLOKOSA-N 2 1 316.342 3.372 20 0 DGADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccccc3CCc3ccccc3)C[C@H]21 ZINC001204919108 1091063091 /nfs/dbraw/zinc/06/30/91/1091063091.db2.gz UXIZFAFCVPRVLR-MZADTFQBSA-N 2 1 306.453 3.108 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC001137609293 1091071786 /nfs/dbraw/zinc/07/17/86/1091071786.db2.gz KVVYCEOXTAAVIH-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC001137609293 1091071791 /nfs/dbraw/zinc/07/17/91/1091071791.db2.gz KVVYCEOXTAAVIH-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001205109313 1091104325 /nfs/dbraw/zinc/10/43/25/1091104325.db2.gz DZNWGMVERKBVGQ-HNNXBMFYSA-N 2 1 303.837 3.444 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205109439 1091104497 /nfs/dbraw/zinc/10/44/97/1091104497.db2.gz GNKMZLRXLGJUDP-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205109439 1091104502 /nfs/dbraw/zinc/10/45/02/1091104502.db2.gz GNKMZLRXLGJUDP-LLVKDONJSA-N 2 1 306.303 3.038 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205124350 1091108218 /nfs/dbraw/zinc/10/82/18/1091108218.db2.gz OSBFOAMYOWUVJB-KRWDZBQOSA-N 2 1 311.429 3.070 20 0 DGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205123905 1091108309 /nfs/dbraw/zinc/10/83/09/1091108309.db2.gz GVSATRHLJWFHOH-QGZVFWFLSA-N 2 1 311.429 3.070 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205140136 1091110694 /nfs/dbraw/zinc/11/06/94/1091110694.db2.gz AMZQSWXTTOAZEE-GOEBONIOSA-N 2 1 318.461 3.043 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2nccnc12 ZINC001138306458 1091135635 /nfs/dbraw/zinc/13/56/35/1091135635.db2.gz UGYBYPZHSWHRCF-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2nccnc12 ZINC001138306458 1091135639 /nfs/dbraw/zinc/13/56/39/1091135639.db2.gz UGYBYPZHSWHRCF-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2nccnc12 ZINC001138306458 1091135644 /nfs/dbraw/zinc/13/56/44/1091135644.db2.gz UGYBYPZHSWHRCF-ZWKOTPCHSA-N 2 1 324.472 3.469 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273671 1091160315 /nfs/dbraw/zinc/16/03/15/1091160315.db2.gz ODEVIDVSOMMADE-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273671 1091160321 /nfs/dbraw/zinc/16/03/21/1091160321.db2.gz ODEVIDVSOMMADE-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1OCC1CC1 ZINC001205274103 1091160360 /nfs/dbraw/zinc/16/03/60/1091160360.db2.gz UBLFHBWMYGFJIF-LJQANCHMSA-N 2 1 318.461 3.187 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2C2CCOCC2)CC1 ZINC001205287905 1091166046 /nfs/dbraw/zinc/16/60/46/1091166046.db2.gz CZHVCTDKNPOURR-LJQANCHMSA-N 2 1 302.462 3.284 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303295 1091172716 /nfs/dbraw/zinc/17/27/16/1091172716.db2.gz CCLKQZUEPUVGHM-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303295 1091172726 /nfs/dbraw/zinc/17/27/26/1091172726.db2.gz CCLKQZUEPUVGHM-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303252 1091173056 /nfs/dbraw/zinc/17/30/56/1091173056.db2.gz BOUCHBDINUJLTH-BXUZGUMPSA-N 2 1 316.367 3.310 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303507 1091173617 /nfs/dbraw/zinc/17/36/17/1091173617.db2.gz GPSVBJIFXXFVJZ-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303507 1091173620 /nfs/dbraw/zinc/17/36/20/1091173620.db2.gz GPSVBJIFXXFVJZ-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cccn2-c2ccccc2F)C[C@H]1C[NH3+] ZINC001205303799 1091174270 /nfs/dbraw/zinc/17/42/70/1091174270.db2.gz KJDYCSJSQNVTOB-LSDHHAIUSA-N 2 1 301.409 3.033 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)C[C@H]1C[NH3+] ZINC001205303799 1091174280 /nfs/dbraw/zinc/17/42/80/1091174280.db2.gz KJDYCSJSQNVTOB-LSDHHAIUSA-N 2 1 301.409 3.033 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cccn2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC001205303797 1091175248 /nfs/dbraw/zinc/17/52/48/1091175248.db2.gz KJDYCSJSQNVTOB-GJZGRUSLSA-N 2 1 301.409 3.033 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccn2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC001205303797 1091175250 /nfs/dbraw/zinc/17/52/50/1091175250.db2.gz KJDYCSJSQNVTOB-GJZGRUSLSA-N 2 1 301.409 3.033 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306563 1091176573 /nfs/dbraw/zinc/17/65/73/1091176573.db2.gz XLTDFPCGXRATLV-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306563 1091176575 /nfs/dbraw/zinc/17/65/75/1091176575.db2.gz XLTDFPCGXRATLV-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@@H]1C[NH3+] ZINC001205306309 1091176808 /nfs/dbraw/zinc/17/68/08/1091176808.db2.gz VHTIWMGACZNNFK-RDJZCZTQSA-N 2 1 317.477 3.210 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@@H]1C[NH3+] ZINC001205306309 1091176817 /nfs/dbraw/zinc/17/68/17/1091176817.db2.gz VHTIWMGACZNNFK-RDJZCZTQSA-N 2 1 317.477 3.210 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305097 1091177353 /nfs/dbraw/zinc/17/73/53/1091177353.db2.gz RAPKAIGSVMDDIP-DGCLKSJQSA-N 2 1 316.367 3.131 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305097 1091177356 /nfs/dbraw/zinc/17/73/56/1091177356.db2.gz RAPKAIGSVMDDIP-DGCLKSJQSA-N 2 1 316.367 3.131 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC001205314919 1091179821 /nfs/dbraw/zinc/17/98/21/1091179821.db2.gz DOVCIJKILHKGHN-PBHICJAKSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@@H]1C[NH3+] ZINC001205316860 1091182155 /nfs/dbraw/zinc/18/21/55/1091182155.db2.gz LOHUTSQONJCPPF-BEFAXECRSA-N 2 1 310.441 3.476 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317759 1091182803 /nfs/dbraw/zinc/18/28/03/1091182803.db2.gz PYZUYMLYEGURAX-YPMHNXCESA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317759 1091182810 /nfs/dbraw/zinc/18/28/10/1091182810.db2.gz PYZUYMLYEGURAX-YPMHNXCESA-N 2 1 311.267 3.174 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC001138547034 1091224732 /nfs/dbraw/zinc/22/47/32/1091224732.db2.gz BUMPFPUHXVUSFF-UHFFFAOYSA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC001138547034 1091224744 /nfs/dbraw/zinc/22/47/44/1091224744.db2.gz BUMPFPUHXVUSFF-UHFFFAOYSA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC001138549023 1091226494 /nfs/dbraw/zinc/22/64/94/1091226494.db2.gz OAFXOCUTCCSVED-UHFFFAOYSA-N 2 1 321.428 3.214 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205546208 1091247756 /nfs/dbraw/zinc/24/77/56/1091247756.db2.gz RSIQUQHAYAXLMZ-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001205546357 1091250130 /nfs/dbraw/zinc/25/01/30/1091250130.db2.gz UIHJZTRNBJWJFJ-HNNXBMFYSA-N 2 1 318.358 3.401 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001205559987 1091255787 /nfs/dbraw/zinc/25/57/87/1091255787.db2.gz XRCFAZPYCBGMEQ-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001205569937 1091258053 /nfs/dbraw/zinc/25/80/53/1091258053.db2.gz ARMAYXCZPFRSII-SFHVURJKSA-N 2 1 301.409 3.130 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001205571819 1091260436 /nfs/dbraw/zinc/26/04/36/1091260436.db2.gz YNFIRLPJTVDYGU-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001205571819 1091260441 /nfs/dbraw/zinc/26/04/41/1091260441.db2.gz YNFIRLPJTVDYGU-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Cl ZINC001205570716 1091260455 /nfs/dbraw/zinc/26/04/55/1091260455.db2.gz NACQGTPJTBZAEV-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001205575858 1091263442 /nfs/dbraw/zinc/26/34/42/1091263442.db2.gz ZYOJIBKTVXALFA-UHFFFAOYSA-N 2 1 309.413 3.125 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001205581397 1091265148 /nfs/dbraw/zinc/26/51/48/1091265148.db2.gz SZIXUMPFXYCEHS-LBPRGKRZSA-N 2 1 321.259 3.164 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001205582823 1091266315 /nfs/dbraw/zinc/26/63/15/1091266315.db2.gz ZISXFNQEQYEALT-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001205582823 1091266322 /nfs/dbraw/zinc/26/63/22/1091266322.db2.gz ZISXFNQEQYEALT-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1C[NH3+] ZINC001205603601 1091276087 /nfs/dbraw/zinc/27/60/87/1091276087.db2.gz QWZIWVCTFIDAOD-DZGCQCFKSA-N 2 1 317.408 3.288 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205616608 1091281874 /nfs/dbraw/zinc/28/18/74/1091281874.db2.gz GSSJTMPCUOCWAT-RDJZCZTQSA-N 2 1 312.461 3.192 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@H]1C[NH3+] ZINC001205618388 1091283813 /nfs/dbraw/zinc/28/38/13/1091283813.db2.gz VREUTIWIIXPSON-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205618442 1091283831 /nfs/dbraw/zinc/28/38/31/1091283831.db2.gz WBNJEFOKFREYPC-NEPJUHHUSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)CC[C@@H]1C[NH3+] ZINC001205618473 1091283994 /nfs/dbraw/zinc/28/39/94/1091283994.db2.gz WGPNMEMBQOISRL-ZWKOTPCHSA-N 2 1 315.505 3.484 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205627151 1091286188 /nfs/dbraw/zinc/28/61/88/1091286188.db2.gz NCXBAQOGIZUQNJ-HUUCEWRRSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CC[C@@H]1C[NH3+] ZINC001205626349 1091286333 /nfs/dbraw/zinc/28/63/33/1091286333.db2.gz GCMDTPMNQFEHGQ-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205626696 1091286457 /nfs/dbraw/zinc/28/64/57/1091286457.db2.gz IEQXHWHIHXSDSU-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205636564 1091290070 /nfs/dbraw/zinc/29/00/70/1091290070.db2.gz DNHFFFPOEGQKNL-CVEARBPZSA-N 2 1 320.477 3.289 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC(C)C)c1 ZINC001205639525 1091291688 /nfs/dbraw/zinc/29/16/88/1091291688.db2.gz ZTKHVCKEEFZDGG-HZPDHXFCSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)cc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205638787 1091292006 /nfs/dbraw/zinc/29/20/06/1091292006.db2.gz RXNPWKVCDWVLOL-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1C(F)F ZINC001205652833 1091297651 /nfs/dbraw/zinc/29/76/51/1091297651.db2.gz RHKWPDTXWKXHGP-TZMCWYRMSA-N 2 1 312.404 3.440 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccncc3)n2)CC[C@@H]1C[NH3+] ZINC001205653371 1091297926 /nfs/dbraw/zinc/29/79/26/1091297926.db2.gz TZLAPSAQFDZTNH-UKRRQHHQSA-N 2 1 316.474 3.012 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001138772404 1091322758 /nfs/dbraw/zinc/32/27/58/1091322758.db2.gz KKWKKTABHBPZHV-AWEZNQCLSA-N 2 1 316.367 3.011 20 0 DGADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC001138772121 1091323860 /nfs/dbraw/zinc/32/38/60/1091323860.db2.gz PIIGPOOKAJINQS-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC001205734316 1091325590 /nfs/dbraw/zinc/32/55/90/1091325590.db2.gz DKHAMDUIDRLTEU-GZBFAFLISA-N 2 1 314.807 3.359 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccnc3)cc2)CCC1(F)F ZINC001205772158 1091342129 /nfs/dbraw/zinc/34/21/29/1091342129.db2.gz YIVFMSXGCLBCOH-QGZVFWFLSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccnc3)cc2)CCC1(F)F ZINC001205772158 1091342136 /nfs/dbraw/zinc/34/21/36/1091342136.db2.gz YIVFMSXGCLBCOH-QGZVFWFLSA-N 2 1 317.383 3.165 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118242150 1091368974 /nfs/dbraw/zinc/36/89/74/1091368974.db2.gz AAXKLJJOWPEREL-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc4[nH]ccc4c3Cl)C2)CC1 ZINC001138937033 1091383015 /nfs/dbraw/zinc/38/30/15/1091383015.db2.gz XFPTUNWMNBPNBL-UHFFFAOYSA-N 2 1 318.852 3.086 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205901710 1091398747 /nfs/dbraw/zinc/39/87/47/1091398747.db2.gz FNDXWXZHJDOTHW-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205901710 1091398752 /nfs/dbraw/zinc/39/87/52/1091398752.db2.gz FNDXWXZHJDOTHW-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001205903435 1091402156 /nfs/dbraw/zinc/40/21/56/1091402156.db2.gz OWGVGJSUPOBXJF-HKUYNNGSSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001205904371 1091402341 /nfs/dbraw/zinc/40/23/41/1091402341.db2.gz URDTZOBOKKCAFX-WCQYABFASA-N 2 1 302.340 3.144 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205912784 1091407141 /nfs/dbraw/zinc/40/71/41/1091407141.db2.gz CIDBJSQZXHNYTP-GOEBONIOSA-N 2 1 313.420 3.447 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205917305 1091410936 /nfs/dbraw/zinc/41/09/36/1091410936.db2.gz YHXRXOKOKAYLJR-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP [NH3+][C@H]1CCCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001205924858 1091415633 /nfs/dbraw/zinc/41/56/33/1091415633.db2.gz UJSLEDXJEFXNDT-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@H]1CCCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001205924858 1091415642 /nfs/dbraw/zinc/41/56/42/1091415642.db2.gz UJSLEDXJEFXNDT-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@@H]1CCCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001205925158 1091415872 /nfs/dbraw/zinc/41/58/72/1091415872.db2.gz VZAYLGASRXOQHM-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001205925158 1091415877 /nfs/dbraw/zinc/41/58/77/1091415877.db2.gz VZAYLGASRXOQHM-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1C ZINC001205923148 1091415990 /nfs/dbraw/zinc/41/59/90/1091415990.db2.gz JPQKLDMTEXWOMH-WBVHZDCISA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1C ZINC001205923148 1091415995 /nfs/dbraw/zinc/41/59/95/1091415995.db2.gz JPQKLDMTEXWOMH-WBVHZDCISA-N 2 1 305.466 3.128 20 0 DGADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205933085 1091420754 /nfs/dbraw/zinc/42/07/54/1091420754.db2.gz XRJLNZHSTDJRGZ-KRWDZBQOSA-N 2 1 320.440 3.339 20 0 DGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205933085 1091420761 /nfs/dbraw/zinc/42/07/61/1091420761.db2.gz XRJLNZHSTDJRGZ-KRWDZBQOSA-N 2 1 320.440 3.339 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981897 1091435443 /nfs/dbraw/zinc/43/54/43/1091435443.db2.gz IUYZYXUVBRFREM-OLZOCXBDSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001205993025 1091439084 /nfs/dbraw/zinc/43/90/84/1091439084.db2.gz GTCKOOVPIHQONV-RYUDHWBXSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205992948 1091440021 /nfs/dbraw/zinc/44/00/21/1091440021.db2.gz GJIBWSICJSXAQK-UKRRQHHQSA-N 2 1 312.404 3.137 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c2c1 ZINC001206004106 1091446218 /nfs/dbraw/zinc/44/62/18/1091446218.db2.gz QJUDYIAMSJEBBI-CABCVRRESA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206012001 1091449396 /nfs/dbraw/zinc/44/93/96/1091449396.db2.gz HXMPGGIAHFQBBY-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013172 1091449929 /nfs/dbraw/zinc/44/99/29/1091449929.db2.gz PVLVYHUUEFUUMT-YJBOKZPZSA-N 2 1 324.472 3.259 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(CC)c1O ZINC001206011543 1091450130 /nfs/dbraw/zinc/45/01/30/1091450130.db2.gz DOSXOCDSMDUWSN-KSSFIOAISA-N 2 1 304.478 3.324 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001206014864 1091451579 /nfs/dbraw/zinc/45/15/79/1091451579.db2.gz YHJILIPKLVXENH-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccn2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206014007 1091451637 /nfs/dbraw/zinc/45/16/37/1091451637.db2.gz UZIZMMXNFZBDHQ-MJGOQNOKSA-N 2 1 311.473 3.343 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C(F)F ZINC001206024538 1091454854 /nfs/dbraw/zinc/45/48/54/1091454854.db2.gz JYGUSJGUPRJWPF-JSGCOSHPSA-N 2 1 312.404 3.440 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc4ccn(CC)c4c3)C[C@H]2C1 ZINC001139120034 1091455837 /nfs/dbraw/zinc/45/58/37/1091455837.db2.gz JFZQHQQGTRNMGA-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccn(CC)c4c3)C[C@@H]2C1 ZINC001139120034 1091455843 /nfs/dbraw/zinc/45/58/43/1091455843.db2.gz JFZQHQQGTRNMGA-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccn(CC)c4c3)C[C@@H]2C1 ZINC001139120034 1091455845 /nfs/dbraw/zinc/45/58/45/1091455845.db2.gz JFZQHQQGTRNMGA-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccn(CC)c4c3)C[C@@H]2C1 ZINC001139120034 1091455851 /nfs/dbraw/zinc/45/58/51/1091455851.db2.gz JFZQHQQGTRNMGA-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccn(CC)c4c3)C[C@@H]2C1 ZINC001139120034 1091455854 /nfs/dbraw/zinc/45/58/54/1091455854.db2.gz JFZQHQQGTRNMGA-KDURUIRLSA-N 2 1 311.473 3.435 20 0 DGADMP CCCc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc(C)n1 ZINC001161186220 1091511022 /nfs/dbraw/zinc/51/10/22/1091511022.db2.gz DQHJJEFKOUMICN-KRWDZBQOSA-N 2 1 302.466 3.414 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206172605 1091519618 /nfs/dbraw/zinc/51/96/18/1091519618.db2.gz AXMDDRXIRWVJEI-KBPBESRZSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206172605 1091519626 /nfs/dbraw/zinc/51/96/26/1091519626.db2.gz AXMDDRXIRWVJEI-KBPBESRZSA-N 2 1 304.331 3.275 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@@H]1F ZINC001206174548 1091523306 /nfs/dbraw/zinc/52/33/06/1091523306.db2.gz OBGDZXQTBMCUBO-GJZGRUSLSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC[C@@H]1F ZINC001206174548 1091523315 /nfs/dbraw/zinc/52/33/15/1091523315.db2.gz OBGDZXQTBMCUBO-GJZGRUSLSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@H]1F ZINC001206183222 1091525221 /nfs/dbraw/zinc/52/52/21/1091525221.db2.gz GEXPWWSGLRFSJW-CABCVRRESA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@H]1F ZINC001206183222 1091525233 /nfs/dbraw/zinc/52/52/33/1091525233.db2.gz GEXPWWSGLRFSJW-CABCVRRESA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@@H]1F ZINC001206187402 1091526880 /nfs/dbraw/zinc/52/68/80/1091526880.db2.gz SZQIHVALHCTJHM-IRXDYDNUSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[C@@H]1F ZINC001206187402 1091526887 /nfs/dbraw/zinc/52/68/87/1091526887.db2.gz SZQIHVALHCTJHM-IRXDYDNUSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CC[C@@H]1F ZINC001206195952 1091530917 /nfs/dbraw/zinc/53/09/17/1091530917.db2.gz AEONHNWTKKWAJP-ZWKOTPCHSA-N 2 1 315.392 3.135 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cnc1Cl)CC1CC[NH+](C)CC1 ZINC001139353682 1091531647 /nfs/dbraw/zinc/53/16/47/1091531647.db2.gz XGKAOIGGKSQYAO-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP C[N@H+](Cc1cc(Cl)cnc1Cl)CC1CC[NH+](C)CC1 ZINC001139353682 1091531653 /nfs/dbraw/zinc/53/16/53/1091531653.db2.gz XGKAOIGGKSQYAO-UHFFFAOYSA-N 2 1 302.249 3.162 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC[C@H]1F ZINC001206198672 1091533037 /nfs/dbraw/zinc/53/30/37/1091533037.db2.gz NHQYTDXTGZMWQK-SJORKVTESA-N 2 1 317.383 3.149 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001206303170 1091568821 /nfs/dbraw/zinc/56/88/21/1091568821.db2.gz CDXODXVMEGCGAM-MRXNPFEDSA-N 2 1 310.825 3.020 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001206312047 1091573731 /nfs/dbraw/zinc/57/37/31/1091573731.db2.gz YJCNVNNNXBVUDE-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001206311119 1091573932 /nfs/dbraw/zinc/57/39/32/1091573932.db2.gz JDDGWAULWZHFDS-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001206317782 1091577174 /nfs/dbraw/zinc/57/71/74/1091577174.db2.gz IOPUWCMULGWAON-SFHVURJKSA-N 2 1 301.409 3.325 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001206325746 1091581660 /nfs/dbraw/zinc/58/16/60/1091581660.db2.gz ISABFQHZIKUALK-KRWDZBQOSA-N 2 1 318.852 3.234 20 0 DGADMP C[C@]1(F)CCCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001206406280 1091619285 /nfs/dbraw/zinc/61/92/85/1091619285.db2.gz WHTOAZDYOORIBU-IBGZPJMESA-N 2 1 315.436 3.459 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C(C)C ZINC001139615622 1091622628 /nfs/dbraw/zinc/62/26/28/1091622628.db2.gz SWHBCZNIMQLXSS-SJORKVTESA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1C(C)C ZINC001139615622 1091622637 /nfs/dbraw/zinc/62/26/37/1091622637.db2.gz SWHBCZNIMQLXSS-SJORKVTESA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1C(C)C ZINC001139615622 1091622642 /nfs/dbraw/zinc/62/26/42/1091622642.db2.gz SWHBCZNIMQLXSS-SJORKVTESA-N 2 1 302.462 3.202 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(OC)c(C(C)C)c3)C[C@H]2C1 ZINC001139619083 1091622785 /nfs/dbraw/zinc/62/27/85/1091622785.db2.gz VXPPAAQAGCJEAF-CALCHBBNSA-N 2 1 302.462 3.202 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(C(C)C)c3)C[C@@H]2C1 ZINC001139619083 1091622790 /nfs/dbraw/zinc/62/27/90/1091622790.db2.gz VXPPAAQAGCJEAF-CALCHBBNSA-N 2 1 302.462 3.202 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(C(C)C)c3)C[C@@H]2C1 ZINC001139619083 1091622795 /nfs/dbraw/zinc/62/27/95/1091622795.db2.gz VXPPAAQAGCJEAF-CALCHBBNSA-N 2 1 302.462 3.202 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)c(C(C)C)c3)C[C@@H]2C1 ZINC001139619083 1091622803 /nfs/dbraw/zinc/62/28/03/1091622803.db2.gz VXPPAAQAGCJEAF-CALCHBBNSA-N 2 1 302.462 3.202 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)c(C(C)C)c3)C[C@@H]2C1 ZINC001139619083 1091622806 /nfs/dbraw/zinc/62/28/06/1091622806.db2.gz VXPPAAQAGCJEAF-CALCHBBNSA-N 2 1 302.462 3.202 20 0 DGADMP C[NH+](C)CC(C)(C)CNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001168766127 1091648916 /nfs/dbraw/zinc/64/89/16/1091648916.db2.gz BUEMYNGVHWEFBB-INIZCTEOSA-N 2 1 304.482 3.238 20 0 DGADMP CCC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202962602 1091649545 /nfs/dbraw/zinc/64/95/45/1091649545.db2.gz KCGQAMHSGYZMTK-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP CCC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202962602 1091649549 /nfs/dbraw/zinc/64/95/49/1091649549.db2.gz KCGQAMHSGYZMTK-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c2ccccc21 ZINC001206547722 1091665503 /nfs/dbraw/zinc/66/55/03/1091665503.db2.gz FOLHPVMUKHCCOR-LJQANCHMSA-N 2 1 313.445 3.252 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC001206572154 1091673415 /nfs/dbraw/zinc/67/34/15/1091673415.db2.gz BPXSLUCSYMIUFO-MRXNPFEDSA-N 2 1 316.367 3.378 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC001206572154 1091673419 /nfs/dbraw/zinc/67/34/19/1091673419.db2.gz BPXSLUCSYMIUFO-MRXNPFEDSA-N 2 1 316.367 3.378 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3ccccn3)n2)C1 ZINC001206572527 1091673652 /nfs/dbraw/zinc/67/36/52/1091673652.db2.gz CFVKVOXIWQCFJJ-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001206574225 1091675330 /nfs/dbraw/zinc/67/53/30/1091675330.db2.gz RDEKALCTHSUSML-MRXNPFEDSA-N 2 1 316.367 3.378 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001206574225 1091675333 /nfs/dbraw/zinc/67/53/33/1091675333.db2.gz RDEKALCTHSUSML-MRXNPFEDSA-N 2 1 316.367 3.378 20 0 DGADMP CCOc1cc(OC)ccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206584314 1091678140 /nfs/dbraw/zinc/67/81/40/1091678140.db2.gz YFMHUHBGQUMCHX-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206584314 1091678142 /nfs/dbraw/zinc/67/81/42/1091678142.db2.gz YFMHUHBGQUMCHX-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC001206583755 1091678218 /nfs/dbraw/zinc/67/82/18/1091678218.db2.gz WEYGPKAEOSMDAQ-QGZVFWFLSA-N 2 1 320.477 3.446 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206588557 1091679577 /nfs/dbraw/zinc/67/95/77/1091679577.db2.gz BIKGFXKIRNYECU-INIZCTEOSA-N 2 1 320.477 3.365 20 0 DGADMP COc1cc(C)cc(OC)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206588557 1091679582 /nfs/dbraw/zinc/67/95/82/1091679582.db2.gz BIKGFXKIRNYECU-INIZCTEOSA-N 2 1 320.477 3.365 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206589642 1091680610 /nfs/dbraw/zinc/68/06/10/1091680610.db2.gz IQMYSVFZAQEBNB-GOSISDBHSA-N 2 1 302.462 3.364 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCN2)[C@@H]1CCC[NH2+]CC1 ZINC001206599666 1091684239 /nfs/dbraw/zinc/68/42/39/1091684239.db2.gz VCGAHGMYJQSGMJ-GOSISDBHSA-N 2 1 301.478 3.397 20 0 DGADMP CCOc1cc(OC)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606276 1091687041 /nfs/dbraw/zinc/68/70/41/1091687041.db2.gz JADDRMGMALDPGF-QGZVFWFLSA-N 2 1 320.477 3.446 20 0 DGADMP CSc1ncc(C)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606609 1091687476 /nfs/dbraw/zinc/68/74/76/1091687476.db2.gz RHSJEEQFQFJIRE-INIZCTEOSA-N 2 1 307.507 3.464 20 0 DGADMP CSc1ncc(C)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606609 1091687480 /nfs/dbraw/zinc/68/74/80/1091687480.db2.gz RHSJEEQFQFJIRE-INIZCTEOSA-N 2 1 307.507 3.464 20 0 DGADMP Cc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206624625 1091693729 /nfs/dbraw/zinc/69/37/29/1091693729.db2.gz XSZIWLQZJLCDHM-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206624625 1091693731 /nfs/dbraw/zinc/69/37/31/1091693731.db2.gz XSZIWLQZJLCDHM-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001139888223 1091703833 /nfs/dbraw/zinc/70/38/33/1091703833.db2.gz MNTCKNIRJVKXDR-HIFRSBDPSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139888223 1091703839 /nfs/dbraw/zinc/70/38/39/1091703839.db2.gz MNTCKNIRJVKXDR-HIFRSBDPSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934114 1091717987 /nfs/dbraw/zinc/71/79/87/1091717987.db2.gz DLHCDRZZVYOYGX-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP COC(=O)C1(C)CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168769027 1091719272 /nfs/dbraw/zinc/71/92/72/1091719272.db2.gz YOLKMEFREVANSZ-WDHWQJDRSA-N 2 1 322.493 3.233 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001206760916 1091728484 /nfs/dbraw/zinc/72/84/84/1091728484.db2.gz OAKZGRHHJVZEEY-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769044 1091731262 /nfs/dbraw/zinc/73/12/62/1091731262.db2.gz MYIQTUACULBWKD-QWRGUYRKSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001206769044 1091731272 /nfs/dbraw/zinc/73/12/72/1091731272.db2.gz MYIQTUACULBWKD-QWRGUYRKSA-N 2 1 304.331 3.404 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001206769238 1091731865 /nfs/dbraw/zinc/73/18/65/1091731865.db2.gz NKKQNVZIFUSULJ-STQMWFEESA-N 2 1 316.367 3.453 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206772233 1091733375 /nfs/dbraw/zinc/73/33/75/1091733375.db2.gz ZKDXPYZHTSLMIO-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206772233 1091733379 /nfs/dbraw/zinc/73/33/79/1091733379.db2.gz ZKDXPYZHTSLMIO-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001140027629 1091744117 /nfs/dbraw/zinc/74/41/17/1091744117.db2.gz SRBIXDVMLNDAJF-GOSISDBHSA-N 2 1 312.461 3.095 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001140027629 1091744124 /nfs/dbraw/zinc/74/41/24/1091744124.db2.gz SRBIXDVMLNDAJF-GOSISDBHSA-N 2 1 312.461 3.095 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC001206819548 1091752369 /nfs/dbraw/zinc/75/23/69/1091752369.db2.gz STXCFULNEDJMGF-FQEVSTJZSA-N 2 1 318.505 3.395 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276496379 1091758434 /nfs/dbraw/zinc/75/84/34/1091758434.db2.gz AMMUFOWMKHZFLI-MOPGFXCFSA-N 2 1 321.553 3.162 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1C ZINC001140162377 1091788473 /nfs/dbraw/zinc/78/84/73/1091788473.db2.gz SKRDJJRKBUBDEX-QGZVFWFLSA-N 2 1 312.413 3.360 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1C ZINC001140162377 1091788480 /nfs/dbraw/zinc/78/84/80/1091788480.db2.gz SKRDJJRKBUBDEX-QGZVFWFLSA-N 2 1 312.413 3.360 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001203011524 1091799185 /nfs/dbraw/zinc/79/91/85/1091799185.db2.gz NCOUGWSNPSOABL-ZTBDEIDFSA-N 2 1 318.505 3.307 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(-c4nccs4)c3)C[C@H]2C1 ZINC001140340553 1091835230 /nfs/dbraw/zinc/83/52/30/1091835230.db2.gz ZZTBSYFUVJHOEO-IAGOWNOFSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140356238 1091840384 /nfs/dbraw/zinc/84/03/84/1091840384.db2.gz VMWDSFIYFPMTAI-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140356238 1091840392 /nfs/dbraw/zinc/84/03/92/1091840392.db2.gz VMWDSFIYFPMTAI-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3n[nH]cc3c2)CC1 ZINC001140389281 1091847969 /nfs/dbraw/zinc/84/79/69/1091847969.db2.gz QEBXHALKPDBELR-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OCc1ccccc1 ZINC001276512157 1091865383 /nfs/dbraw/zinc/86/53/83/1091865383.db2.gz OCJLEKSIQPBSQI-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)OCc1ccccc1 ZINC001276512157 1091865387 /nfs/dbraw/zinc/86/53/87/1091865387.db2.gz OCJLEKSIQPBSQI-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC001276512157 1091865394 /nfs/dbraw/zinc/86/53/94/1091865394.db2.gz OCJLEKSIQPBSQI-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1cncc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207155911 1091866871 /nfs/dbraw/zinc/86/68/71/1091866871.db2.gz GYZOKWVJXHGBRX-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP Cc1cncc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001207155911 1091866873 /nfs/dbraw/zinc/86/68/73/1091866873.db2.gz GYZOKWVJXHGBRX-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP Cc1cncc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001207155911 1091866879 /nfs/dbraw/zinc/86/68/79/1091866879.db2.gz GYZOKWVJXHGBRX-CALCHBBNSA-N 2 1 313.470 3.015 20 0 DGADMP c1c[nH]c(C[N@@H+]2CCCC3(CC[NH+](CCC4CC4)CC3)C2)c1 ZINC001276513070 1091873141 /nfs/dbraw/zinc/87/31/41/1091873141.db2.gz GVMNCGUNHYQNBO-UHFFFAOYSA-N 2 1 301.478 3.493 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182805 1091879502 /nfs/dbraw/zinc/87/95/02/1091879502.db2.gz LRVOFVFFKVWDFO-CVYDXHPNSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182805 1091879510 /nfs/dbraw/zinc/87/95/10/1091879510.db2.gz LRVOFVFFKVWDFO-CVYDXHPNSA-N 2 1 304.865 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207182805 1091879516 /nfs/dbraw/zinc/87/95/16/1091879516.db2.gz LRVOFVFFKVWDFO-CVYDXHPNSA-N 2 1 304.865 3.327 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC(C)(C)C[NH+](C)C ZINC001207283572 1091909986 /nfs/dbraw/zinc/90/99/86/1091909986.db2.gz AOLGFVKLKUTMLZ-QZTJIDSGSA-N 2 1 317.521 3.169 20 0 DGADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001207286644 1091912110 /nfs/dbraw/zinc/91/21/10/1091912110.db2.gz JVSIRJWLYLVHEM-KRWDZBQOSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001207287229 1091912766 /nfs/dbraw/zinc/91/27/66/1091912766.db2.gz QRNXXQLEHJPGHW-KRWDZBQOSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@]1(O)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286345 1091912951 /nfs/dbraw/zinc/91/29/51/1091912951.db2.gz GNMDWTRWUUVODX-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293678 1091914699 /nfs/dbraw/zinc/91/46/99/1091914699.db2.gz JPOORRPGRLMYGP-HXUWFJFHSA-N 2 1 316.489 3.398 20 0 DGADMP CCOc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001207334739 1091929071 /nfs/dbraw/zinc/92/90/71/1091929071.db2.gz TYGCIDWDGHIHGF-MRXNPFEDSA-N 2 1 311.429 3.191 20 0 DGADMP COc1ccc(C2=CC[N@@H+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001207401015 1091956110 /nfs/dbraw/zinc/95/61/10/1091956110.db2.gz JIMUFVAERQULKL-UHFFFAOYSA-N 2 1 300.446 3.126 20 0 DGADMP Fc1ccccc1CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207501953 1091992781 /nfs/dbraw/zinc/99/27/81/1091992781.db2.gz ARBNBUVRVUMAGZ-WOJBJXKFSA-N 2 1 324.443 3.432 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207513873 1092000991 /nfs/dbraw/zinc/00/09/91/1092000991.db2.gz PSWWSYHAFNMNMU-UHFFFAOYSA-N 2 1 313.420 3.311 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1c(N)cccc1F ZINC001140877238 1092041778 /nfs/dbraw/zinc/04/17/78/1092041778.db2.gz FUOSWHOUVPSGKQ-GJZGRUSLSA-N 2 1 305.441 3.247 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c(N)cccc1F ZINC001140877238 1092041781 /nfs/dbraw/zinc/04/17/81/1092041781.db2.gz FUOSWHOUVPSGKQ-GJZGRUSLSA-N 2 1 305.441 3.247 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c(N)cccc1F ZINC001140877238 1092041789 /nfs/dbraw/zinc/04/17/89/1092041789.db2.gz FUOSWHOUVPSGKQ-GJZGRUSLSA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c(N)cccc1F ZINC001140877238 1092041795 /nfs/dbraw/zinc/04/17/95/1092041795.db2.gz FUOSWHOUVPSGKQ-GJZGRUSLSA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c(N)cccc1F ZINC001140877238 1092041804 /nfs/dbraw/zinc/04/18/04/1092041804.db2.gz FUOSWHOUVPSGKQ-GJZGRUSLSA-N 2 1 305.441 3.247 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnccc3C(F)(F)F)C2)CC1 ZINC001140919897 1092062789 /nfs/dbraw/zinc/06/27/89/1092062789.db2.gz FNTQHCPZYWQYRA-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001140971245 1092089073 /nfs/dbraw/zinc/08/90/73/1092089073.db2.gz MPYREUONODKZGG-IEBWSBKVSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001140971246 1092089452 /nfs/dbraw/zinc/08/94/52/1092089452.db2.gz MPYREUONODKZGG-MJGOQNOKSA-N 2 1 313.489 3.203 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001140970903 1092089876 /nfs/dbraw/zinc/08/98/76/1092089876.db2.gz YXULNUNNFXMNAI-MSOLQXFVSA-N 2 1 313.489 3.060 20 0 DGADMP c1coc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012380 1092106463 /nfs/dbraw/zinc/10/64/63/1092106463.db2.gz JXENKSBUYPHYIM-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012380 1092106470 /nfs/dbraw/zinc/10/64/70/1092106470.db2.gz JXENKSBUYPHYIM-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012380 1092106473 /nfs/dbraw/zinc/10/64/73/1092106473.db2.gz JXENKSBUYPHYIM-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1coc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001141012380 1092106474 /nfs/dbraw/zinc/10/64/74/1092106474.db2.gz JXENKSBUYPHYIM-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCCCCOc3ccccc3)[C@@H]2C1 ZINC001207838418 1092113248 /nfs/dbraw/zinc/11/32/48/1092113248.db2.gz YBNZYLYHDWNXAB-QXAKKESOSA-N 2 1 302.462 3.166 20 0 DGADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cocn1)CC2 ZINC001141127632 1092144954 /nfs/dbraw/zinc/14/49/54/1092144954.db2.gz FDEQRDLHTYTADS-KRWDZBQOSA-N 2 1 315.417 3.144 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cocn1)CC2 ZINC001141127632 1092144957 /nfs/dbraw/zinc/14/49/57/1092144957.db2.gz FDEQRDLHTYTADS-KRWDZBQOSA-N 2 1 315.417 3.144 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc2ccc(OC)cc12 ZINC001141153317 1092153813 /nfs/dbraw/zinc/15/38/13/1092153813.db2.gz YQGMKQGGIDKKEL-UHFFFAOYSA-N 2 1 315.461 3.407 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CCN(C[C@@H]3CCCCO3)CC1)C2 ZINC001207960381 1092158545 /nfs/dbraw/zinc/15/85/45/1092158545.db2.gz PEAAJWPVGPSNRV-FQEVSTJZSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CCN(C1CC[NH+](C[C@@H]3CCCCO3)CC1)C2 ZINC001207960381 1092158552 /nfs/dbraw/zinc/15/85/52/1092158552.db2.gz PEAAJWPVGPSNRV-FQEVSTJZSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C[C@@H]3CCCCO3)CC1)C2 ZINC001207960381 1092158561 /nfs/dbraw/zinc/15/85/61/1092158561.db2.gz PEAAJWPVGPSNRV-FQEVSTJZSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C[C@@H]3CCCCO3)CC1)C2 ZINC001207960381 1092158565 /nfs/dbraw/zinc/15/85/65/1092158565.db2.gz PEAAJWPVGPSNRV-FQEVSTJZSA-N 2 1 314.473 3.078 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208110246 1092198942 /nfs/dbraw/zinc/19/89/42/1092198942.db2.gz XZOAPGAVRSVCDN-MRXNPFEDSA-N 2 1 304.478 3.290 20 0 DGADMP CS[C@@H](C)CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208142048 1092216292 /nfs/dbraw/zinc/21/62/92/1092216292.db2.gz CNXSPSKFROUFIX-HRCADAONSA-N 2 1 308.491 3.175 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208142048 1092216303 /nfs/dbraw/zinc/21/63/03/1092216303.db2.gz CNXSPSKFROUFIX-HRCADAONSA-N 2 1 308.491 3.175 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001208142048 1092216314 /nfs/dbraw/zinc/21/63/14/1092216314.db2.gz CNXSPSKFROUFIX-HRCADAONSA-N 2 1 308.491 3.175 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001208142048 1092216325 /nfs/dbraw/zinc/21/63/25/1092216325.db2.gz CNXSPSKFROUFIX-HRCADAONSA-N 2 1 308.491 3.175 20 0 DGADMP CS[C@H](C)CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001208145623 1092219815 /nfs/dbraw/zinc/21/98/15/1092219815.db2.gz WWWLJICHTHSLIT-HUUCEWRRSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@H](C)CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001208145623 1092219836 /nfs/dbraw/zinc/21/98/36/1092219836.db2.gz WWWLJICHTHSLIT-HUUCEWRRSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@H](C)CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001208145623 1092219851 /nfs/dbraw/zinc/21/98/51/1092219851.db2.gz WWWLJICHTHSLIT-HUUCEWRRSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@H](C)CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001208145623 1092219864 /nfs/dbraw/zinc/21/98/64/1092219864.db2.gz WWWLJICHTHSLIT-HUUCEWRRSA-N 2 1 324.538 3.242 20 0 DGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)o1 ZINC001208156034 1092224642 /nfs/dbraw/zinc/22/46/42/1092224642.db2.gz NFCIUHCHZVHTSI-AWEZNQCLSA-N 2 1 319.449 3.212 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208186776 1092247490 /nfs/dbraw/zinc/24/74/90/1092247490.db2.gz YCBNCZNSBFDWAG-MJGOQNOKSA-N 2 1 308.510 3.247 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CCCC1 ZINC001208184976 1092249537 /nfs/dbraw/zinc/24/95/37/1092249537.db2.gz RYADZAOYZZTPLU-CHWSQXEVSA-N 2 1 310.379 3.188 20 0 DGADMP COc1cc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)cc(OC)c1 ZINC001208191739 1092252495 /nfs/dbraw/zinc/25/24/95/1092252495.db2.gz ONQXWANGAGZMDI-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP COc1cc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)cc(OC)c1 ZINC001208191739 1092252507 /nfs/dbraw/zinc/25/25/07/1092252507.db2.gz ONQXWANGAGZMDI-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC001208223519 1092279826 /nfs/dbraw/zinc/27/98/26/1092279826.db2.gz BCUSYDZTKUAWLT-MRXNPFEDSA-N 2 1 320.477 3.258 20 0 DGADMP CN1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590627 1092286474 /nfs/dbraw/zinc/28/64/74/1092286474.db2.gz HQJHPMGXNGRCEL-PXAZEXFGSA-N 2 1 303.837 3.347 20 0 DGADMP C[N@@H+]1CCC[C@@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590627 1092286485 /nfs/dbraw/zinc/28/64/85/1092286485.db2.gz HQJHPMGXNGRCEL-PXAZEXFGSA-N 2 1 303.837 3.347 20 0 DGADMP CCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459715 1092359740 /nfs/dbraw/zinc/35/97/40/1092359740.db2.gz HLPSUFBEUSFVQU-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)C1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208582009 1092406784 /nfs/dbraw/zinc/40/67/84/1092406784.db2.gz CNOXGTXBEPOBHX-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC001208594228 1092417781 /nfs/dbraw/zinc/41/77/81/1092417781.db2.gz LUASFNQGVRACMW-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC001208594228 1092417791 /nfs/dbraw/zinc/41/77/91/1092417791.db2.gz LUASFNQGVRACMW-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001208600420 1092419156 /nfs/dbraw/zinc/41/91/56/1092419156.db2.gz RHJIFGDOESXANT-IBGZPJMESA-N 2 1 302.462 3.262 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC001208602835 1092421980 /nfs/dbraw/zinc/42/19/80/1092421980.db2.gz OSEAKTLMCSXZBQ-QFBILLFUSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCc3ccc(OC)cc3C2)CC1 ZINC001208602336 1092422850 /nfs/dbraw/zinc/42/28/50/1092422850.db2.gz BYXAGJUUBQTFOG-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC001208607308 1092423516 /nfs/dbraw/zinc/42/35/16/1092423516.db2.gz LMMHZRZOEPLZKA-HNNXBMFYSA-N 2 1 306.425 3.011 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1OC ZINC001208609098 1092425853 /nfs/dbraw/zinc/42/58/53/1092425853.db2.gz UUDLWBNKOLCXKB-RDJZCZTQSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1OC ZINC001208609098 1092425856 /nfs/dbraw/zinc/42/58/56/1092425856.db2.gz UUDLWBNKOLCXKB-RDJZCZTQSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC001208609098 1092425879 /nfs/dbraw/zinc/42/58/79/1092425879.db2.gz UUDLWBNKOLCXKB-RDJZCZTQSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC001208609098 1092425881 /nfs/dbraw/zinc/42/58/81/1092425881.db2.gz UUDLWBNKOLCXKB-RDJZCZTQSA-N 2 1 318.461 3.183 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CCc4c3cccc4F)C2)C1 ZINC001208614666 1092426970 /nfs/dbraw/zinc/42/69/70/1092426970.db2.gz MPFIRTXBTOXPKQ-OXJNMPFZSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)C1 ZINC001208614666 1092426975 /nfs/dbraw/zinc/42/69/75/1092426975.db2.gz MPFIRTXBTOXPKQ-OXJNMPFZSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)C1 ZINC001208614666 1092426982 /nfs/dbraw/zinc/42/69/82/1092426982.db2.gz MPFIRTXBTOXPKQ-OXJNMPFZSA-N 2 1 316.464 3.447 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3ccc(F)cc3F)CC2)C1 ZINC001208614835 1092427491 /nfs/dbraw/zinc/42/74/91/1092427491.db2.gz OSPAEVQHTBJMAK-CQSZACIVSA-N 2 1 308.416 3.486 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619642 1092431875 /nfs/dbraw/zinc/43/18/75/1092431875.db2.gz YTTVWWHZOAZXIP-FQEVSTJZSA-N 2 1 318.505 3.383 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619642 1092431883 /nfs/dbraw/zinc/43/18/83/1092431883.db2.gz YTTVWWHZOAZXIP-FQEVSTJZSA-N 2 1 318.505 3.383 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619642 1092431888 /nfs/dbraw/zinc/43/18/88/1092431888.db2.gz YTTVWWHZOAZXIP-FQEVSTJZSA-N 2 1 318.505 3.383 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001208619642 1092431894 /nfs/dbraw/zinc/43/18/94/1092431894.db2.gz YTTVWWHZOAZXIP-FQEVSTJZSA-N 2 1 318.505 3.383 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@H](C(=O)OC)CC2)CC1 ZINC001208633502 1092435434 /nfs/dbraw/zinc/43/54/34/1092435434.db2.gz FHJIZZJTGAEFKG-QAQDUYKDSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208700833 1092465060 /nfs/dbraw/zinc/46/50/60/1092465060.db2.gz MSIBGRWTFWWYQB-KRWDZBQOSA-N 2 1 304.478 3.398 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001208727150 1092476101 /nfs/dbraw/zinc/47/61/01/1092476101.db2.gz JTPAMJAOQYWQOM-PLNGDYQASA-N 2 1 316.493 3.207 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)CCCc1cccc(Br)c1 ZINC001208820806 1092525370 /nfs/dbraw/zinc/52/53/70/1092525370.db2.gz SDRYBDQZXOSRSP-UHFFFAOYSA-N 2 1 313.283 3.265 20 0 DGADMP c1nc2c(cccc2C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001142687737 1092529497 /nfs/dbraw/zinc/52/94/97/1092529497.db2.gz WGWONVGDAJARLC-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2cccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c2[nH]1 ZINC001142687737 1092529509 /nfs/dbraw/zinc/52/95/09/1092529509.db2.gz WGWONVGDAJARLC-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP c1nc2cccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c2[nH]1 ZINC001142687737 1092529524 /nfs/dbraw/zinc/52/95/24/1092529524.db2.gz WGWONVGDAJARLC-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1cccc3ccccc31)C2 ZINC001169100259 1092529479 /nfs/dbraw/zinc/52/94/79/1092529479.db2.gz HNXOUDGZKSNPCY-NYUBLWNDSA-N 2 1 324.468 3.478 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cncc(Cl)c1)C1CC1)C2 ZINC001169117335 1092542939 /nfs/dbraw/zinc/54/29/39/1092542939.db2.gz YSFAMZUJNGDIOZ-NXOAAHMSSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001169124712 1092546145 /nfs/dbraw/zinc/54/61/45/1092546145.db2.gz SHRLVKVZPOILLI-OWUUHHOZSA-N 2 1 318.305 3.332 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001169130900 1092547713 /nfs/dbraw/zinc/54/77/13/1092547713.db2.gz PRLZBUDILKUEOQ-VQFNDLOPSA-N 2 1 319.880 3.087 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001169130900 1092547722 /nfs/dbraw/zinc/54/77/22/1092547722.db2.gz PRLZBUDILKUEOQ-VQFNDLOPSA-N 2 1 319.880 3.087 20 0 DGADMP CCN(C)c1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]cc1C ZINC001169138365 1092549674 /nfs/dbraw/zinc/54/96/74/1092549674.db2.gz PZCJOTUPUDPGIX-RDTXWAMCSA-N 2 1 319.497 3.197 20 0 DGADMP CC1(C)C[C@@H](Nc2nc(NCC3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169136211 1092549735 /nfs/dbraw/zinc/54/97/35/1092549735.db2.gz FGXAUMOICRVLFX-KDOFPFPSSA-N 2 1 317.481 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001169107158 1092550487 /nfs/dbraw/zinc/55/04/87/1092550487.db2.gz FJHYMYQFLOSNBR-TVFCKZIOSA-N 2 1 304.865 3.412 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C[C@H]3CCC=CO3)CC1)C2 ZINC001208879883 1092560382 /nfs/dbraw/zinc/56/03/82/1092560382.db2.gz IRYULPJGMAFTPS-HXUWFJFHSA-N 2 1 312.457 3.202 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C[C@H]3CCC=CO3)CC1)C2 ZINC001208879883 1092560393 /nfs/dbraw/zinc/56/03/93/1092560393.db2.gz IRYULPJGMAFTPS-HXUWFJFHSA-N 2 1 312.457 3.202 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169148847 1092562344 /nfs/dbraw/zinc/56/23/44/1092562344.db2.gz ZZOZHHJOXLTDNP-ZMMAXQRCSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169148847 1092562352 /nfs/dbraw/zinc/56/23/52/1092562352.db2.gz ZZOZHHJOXLTDNP-ZMMAXQRCSA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169148847 1092562359 /nfs/dbraw/zinc/56/23/59/1092562359.db2.gz ZZOZHHJOXLTDNP-ZMMAXQRCSA-N 2 1 300.446 3.457 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148050 1092563440 /nfs/dbraw/zinc/56/34/40/1092563440.db2.gz XJPFXGPAOAMFHG-ACDBMABISA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148050 1092563450 /nfs/dbraw/zinc/56/34/50/1092563450.db2.gz XJPFXGPAOAMFHG-ACDBMABISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148050 1092563460 /nfs/dbraw/zinc/56/34/60/1092563460.db2.gz XJPFXGPAOAMFHG-ACDBMABISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001169148050 1092563469 /nfs/dbraw/zinc/56/34/69/1092563469.db2.gz XJPFXGPAOAMFHG-ACDBMABISA-N 2 1 314.473 3.293 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154507 1092567524 /nfs/dbraw/zinc/56/75/24/1092567524.db2.gz RJKPSWWRSVXFME-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CCc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154507 1092567534 /nfs/dbraw/zinc/56/75/34/1092567534.db2.gz RJKPSWWRSVXFME-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CCc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154507 1092567550 /nfs/dbraw/zinc/56/75/50/1092567550.db2.gz RJKPSWWRSVXFME-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COC1(c2ccccc2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155578 1092569681 /nfs/dbraw/zinc/56/96/81/1092569681.db2.gz RPTKIJBVGLPHKS-BWTSREIZSA-N 2 1 314.473 3.249 20 0 DGADMP CN(C1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162933 1092573706 /nfs/dbraw/zinc/57/37/06/1092573706.db2.gz VNIDAIHBGVWIJA-PMOLBWCYSA-N 2 1 319.537 3.341 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001169140480 1092575077 /nfs/dbraw/zinc/57/50/77/1092575077.db2.gz KGCJCYWWLBYDKG-LHHMISFZSA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001169140480 1092575088 /nfs/dbraw/zinc/57/50/88/1092575088.db2.gz KGCJCYWWLBYDKG-LHHMISFZSA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001169140480 1092575098 /nfs/dbraw/zinc/57/50/98/1092575098.db2.gz KGCJCYWWLBYDKG-LHHMISFZSA-N 2 1 317.502 3.263 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001169140252 1092575617 /nfs/dbraw/zinc/57/56/17/1092575617.db2.gz QGXYBXLNGVBDHW-BOQPXBONSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001169140252 1092575629 /nfs/dbraw/zinc/57/56/29/1092575629.db2.gz QGXYBXLNGVBDHW-BOQPXBONSA-N 2 1 318.505 3.139 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001169140252 1092575641 /nfs/dbraw/zinc/57/56/41/1092575641.db2.gz QGXYBXLNGVBDHW-BOQPXBONSA-N 2 1 318.505 3.139 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208933559 1092595402 /nfs/dbraw/zinc/59/54/02/1092595402.db2.gz WECVICFITHZXIF-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933559 1092595412 /nfs/dbraw/zinc/59/54/12/1092595412.db2.gz WECVICFITHZXIF-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933559 1092595431 /nfs/dbraw/zinc/59/54/31/1092595431.db2.gz WECVICFITHZXIF-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP COC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932379 1092596507 /nfs/dbraw/zinc/59/65/07/1092596507.db2.gz PLILLZKHLKYGQA-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001276601898 1092599912 /nfs/dbraw/zinc/59/99/12/1092599912.db2.gz NWSDIUQJGDCLAS-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001276601898 1092599920 /nfs/dbraw/zinc/59/99/20/1092599920.db2.gz NWSDIUQJGDCLAS-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC001276601898 1092599929 /nfs/dbraw/zinc/59/99/29/1092599929.db2.gz NWSDIUQJGDCLAS-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC001276601898 1092599936 /nfs/dbraw/zinc/59/99/36/1092599936.db2.gz NWSDIUQJGDCLAS-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208936692 1092600281 /nfs/dbraw/zinc/60/02/81/1092600281.db2.gz OYXPQBGJKTWXLI-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC1(C)C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208936692 1092600286 /nfs/dbraw/zinc/60/02/86/1092600286.db2.gz OYXPQBGJKTWXLI-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC1(C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208936692 1092600293 /nfs/dbraw/zinc/60/02/93/1092600293.db2.gz OYXPQBGJKTWXLI-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001169229936 1092601797 /nfs/dbraw/zinc/60/17/97/1092601797.db2.gz MCQXMKJOWNVQSF-LJQANCHMSA-N 2 1 320.452 3.367 20 0 DGADMP CCCOC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948167 1092606824 /nfs/dbraw/zinc/60/68/24/1092606824.db2.gz FIBVYQJVQVKJBG-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2nccn2c1 ZINC001143027157 1092607513 /nfs/dbraw/zinc/60/75/13/1092607513.db2.gz LJSZPCYTCAKROG-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2nccn2c1 ZINC001143027157 1092607517 /nfs/dbraw/zinc/60/75/17/1092607517.db2.gz LJSZPCYTCAKROG-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2nccn2c1 ZINC001143027157 1092607523 /nfs/dbraw/zinc/60/75/23/1092607523.db2.gz LJSZPCYTCAKROG-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2nccn2c1 ZINC001143027157 1092607528 /nfs/dbraw/zinc/60/75/28/1092607528.db2.gz LJSZPCYTCAKROG-ZWKOTPCHSA-N 2 1 312.461 3.173 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949616 1092608352 /nfs/dbraw/zinc/60/83/52/1092608352.db2.gz MIHBZHHWDNSLGG-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949616 1092608355 /nfs/dbraw/zinc/60/83/55/1092608355.db2.gz MIHBZHHWDNSLGG-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949616 1092608358 /nfs/dbraw/zinc/60/83/58/1092608358.db2.gz MIHBZHHWDNSLGG-OALUTQOASA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001208958820 1092611204 /nfs/dbraw/zinc/61/12/04/1092611204.db2.gz RAQSRLPHZPFHNU-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001208958820 1092611207 /nfs/dbraw/zinc/61/12/07/1092611207.db2.gz RAQSRLPHZPFHNU-SFHVURJKSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@@H+](CCCCCO)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208957887 1092611373 /nfs/dbraw/zinc/61/13/73/1092611373.db2.gz MNESOUCRVBMIAF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[N@H+](CCCCCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208957887 1092611377 /nfs/dbraw/zinc/61/13/77/1092611377.db2.gz MNESOUCRVBMIAF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[N@@H+](CCCCCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208957887 1092611381 /nfs/dbraw/zinc/61/13/81/1092611381.db2.gz MNESOUCRVBMIAF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[NH+](CCCCCO)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208957887 1092611385 /nfs/dbraw/zinc/61/13/85/1092611385.db2.gz MNESOUCRVBMIAF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[NH+](CCCCCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208957887 1092611388 /nfs/dbraw/zinc/61/13/88/1092611388.db2.gz MNESOUCRVBMIAF-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP c1c2cccnc2[nH]c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001143220945 1092636907 /nfs/dbraw/zinc/63/69/07/1092636907.db2.gz VFUMIPPFLMIUNC-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP c1c2cccnc2[nH]c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001143220945 1092636911 /nfs/dbraw/zinc/63/69/11/1092636911.db2.gz VFUMIPPFLMIUNC-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP CCOC(C)(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209071959 1092641243 /nfs/dbraw/zinc/64/12/43/1092641243.db2.gz HCNVONVPYNQBIK-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209071959 1092641251 /nfs/dbraw/zinc/64/12/51/1092641251.db2.gz HCNVONVPYNQBIK-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209071959 1092641255 /nfs/dbraw/zinc/64/12/55/1092641255.db2.gz HCNVONVPYNQBIK-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CCOC(C)(C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209077928 1092643188 /nfs/dbraw/zinc/64/31/88/1092643188.db2.gz SJUJEJVOAMOPAI-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP CCOC(C)(C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209077928 1092643195 /nfs/dbraw/zinc/64/31/95/1092643195.db2.gz SJUJEJVOAMOPAI-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP CCOC(C)(C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209077928 1092643196 /nfs/dbraw/zinc/64/31/96/1092643196.db2.gz SJUJEJVOAMOPAI-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001209124830 1092663532 /nfs/dbraw/zinc/66/35/32/1092663532.db2.gz SHYWDKGDKQPSBY-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001209124830 1092663535 /nfs/dbraw/zinc/66/35/35/1092663535.db2.gz SHYWDKGDKQPSBY-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001209124830 1092663536 /nfs/dbraw/zinc/66/35/36/1092663536.db2.gz SHYWDKGDKQPSBY-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCCc1cccnc1 ZINC001209182295 1092684736 /nfs/dbraw/zinc/68/47/36/1092684736.db2.gz ZLKWOBYQPTZMRQ-RBUKOAKNSA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCc1cccnc1 ZINC001209182295 1092684739 /nfs/dbraw/zinc/68/47/39/1092684739.db2.gz ZLKWOBYQPTZMRQ-RBUKOAKNSA-N 2 1 301.478 3.353 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCc1cccnc1 ZINC001209182295 1092684745 /nfs/dbraw/zinc/68/47/45/1092684745.db2.gz ZLKWOBYQPTZMRQ-RBUKOAKNSA-N 2 1 301.478 3.353 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001206011738 1092687822 /nfs/dbraw/zinc/68/78/22/1092687822.db2.gz FWYRWAONYLOFQC-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2cccs2)CC1 ZINC001209223511 1092701820 /nfs/dbraw/zinc/70/18/20/1092701820.db2.gz XYMXVQSRLGLWSX-UHFFFAOYSA-N 2 1 301.459 3.233 20 0 DGADMP COCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209223829 1092701955 /nfs/dbraw/zinc/70/19/55/1092701955.db2.gz PGOHZBJXDWGAQC-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209223829 1092701966 /nfs/dbraw/zinc/70/19/66/1092701966.db2.gz PGOHZBJXDWGAQC-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209223829 1092701975 /nfs/dbraw/zinc/70/19/75/1092701975.db2.gz PGOHZBJXDWGAQC-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169459575 1092703645 /nfs/dbraw/zinc/70/36/45/1092703645.db2.gz QVZHWXOCTZIVBF-BQFCYCMXSA-N 2 1 323.525 3.148 20 0 DGADMP Cc1cc(N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC001209248307 1092712959 /nfs/dbraw/zinc/71/29/59/1092712959.db2.gz UDBQEJJTVMXGOQ-UHFFFAOYSA-N 2 1 317.383 3.033 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2Cc3ccccc3C2)CC1 ZINC001209320582 1092733989 /nfs/dbraw/zinc/73/39/89/1092733989.db2.gz LEXHTARYKHISKS-UHFFFAOYSA-N 2 1 300.490 3.454 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206632500 1092746041 /nfs/dbraw/zinc/74/60/41/1092746041.db2.gz LTFCGTZMKVSSOX-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206632500 1092746049 /nfs/dbraw/zinc/74/60/49/1092746049.db2.gz LTFCGTZMKVSSOX-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001209380638 1092748563 /nfs/dbraw/zinc/74/85/63/1092748563.db2.gz MKIWOGHDRWLRCA-HOTGVXAUSA-N 2 1 317.477 3.132 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001209380636 1092748733 /nfs/dbraw/zinc/74/87/33/1092748733.db2.gz MKIWOGHDRWLRCA-BJWYYQGGSA-N 2 1 317.477 3.132 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209410415 1092762869 /nfs/dbraw/zinc/76/28/69/1092762869.db2.gz PAGNWDFTSDRJTL-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209410415 1092762873 /nfs/dbraw/zinc/76/28/73/1092762873.db2.gz PAGNWDFTSDRJTL-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209410415 1092762878 /nfs/dbraw/zinc/76/28/78/1092762878.db2.gz PAGNWDFTSDRJTL-RBUKOAKNSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412956 1092764919 /nfs/dbraw/zinc/76/49/19/1092764919.db2.gz JBUSAOIXVSDKJD-FPPGBKCQSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412956 1092764926 /nfs/dbraw/zinc/76/49/26/1092764926.db2.gz JBUSAOIXVSDKJD-FPPGBKCQSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412956 1092764930 /nfs/dbraw/zinc/76/49/30/1092764930.db2.gz JBUSAOIXVSDKJD-FPPGBKCQSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209412956 1092764937 /nfs/dbraw/zinc/76/49/37/1092764937.db2.gz JBUSAOIXVSDKJD-FPPGBKCQSA-N 2 1 313.489 3.270 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209454759 1092781477 /nfs/dbraw/zinc/78/14/77/1092781477.db2.gz TYDLUJHYTNABMD-SFHVURJKSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209454759 1092781483 /nfs/dbraw/zinc/78/14/83/1092781483.db2.gz TYDLUJHYTNABMD-SFHVURJKSA-N 2 1 317.477 3.109 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206639973 1092879117 /nfs/dbraw/zinc/87/91/17/1092879117.db2.gz HRYCKHQIKXGJQE-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206639973 1092879125 /nfs/dbraw/zinc/87/91/25/1092879125.db2.gz HRYCKHQIKXGJQE-GFCCVEGCSA-N 2 1 316.367 3.275 20 0 DGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC001209730072 1092894809 /nfs/dbraw/zinc/89/48/09/1092894809.db2.gz FATIUYLNEAFCGI-QGZVFWFLSA-N 2 1 323.440 3.033 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001209731448 1092895324 /nfs/dbraw/zinc/89/53/24/1092895324.db2.gz CJDOWOSPBCGAHA-UHFFFAOYSA-N 2 1 313.470 3.392 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001209731448 1092895334 /nfs/dbraw/zinc/89/53/34/1092895334.db2.gz CJDOWOSPBCGAHA-UHFFFAOYSA-N 2 1 313.470 3.392 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc4cc(OC)ccc4o3)C[C@H]2C1 ZINC001209774862 1092913116 /nfs/dbraw/zinc/91/31/16/1092913116.db2.gz UTIJWCWXSLZTIG-HZPDHXFCSA-N 2 1 314.429 3.215 20 0 DGADMP CC[NH+](CC)Cc1ccc(Nc2c(N)cc[nH+]c2OC)cc1 ZINC001209822228 1092937838 /nfs/dbraw/zinc/93/78/38/1092937838.db2.gz FEUASYPKGKNICP-UHFFFAOYSA-N 2 1 300.406 3.258 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001210184323 1093070079 /nfs/dbraw/zinc/07/00/79/1093070079.db2.gz XQVVAZXWCAEIOI-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1N1CCCC1)CC2 ZINC001276680061 1093073522 /nfs/dbraw/zinc/07/35/22/1093073522.db2.gz WNKBKORJNRAOOO-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP C[C@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001210474643 1093180196 /nfs/dbraw/zinc/18/01/96/1093180196.db2.gz HMTHXZHMINZAOH-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001210474643 1093180202 /nfs/dbraw/zinc/18/02/02/1093180202.db2.gz HMTHXZHMINZAOH-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP COc1ccc(CC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001276720233 1093948475 /nfs/dbraw/zinc/94/84/75/1093948475.db2.gz FGJYCMXUGOYZHO-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CC[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276720233 1093948477 /nfs/dbraw/zinc/94/84/77/1093948477.db2.gz FGJYCMXUGOYZHO-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CC[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001276720233 1093948483 /nfs/dbraw/zinc/94/84/83/1093948483.db2.gz FGJYCMXUGOYZHO-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1[nH+]ccc(N)c1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215744206 1094046288 /nfs/dbraw/zinc/04/62/88/1094046288.db2.gz QNQZFVSOXGNQOH-UHFFFAOYSA-N 2 1 300.406 3.162 20 0 DGADMP Cc1cccc(CC[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276738941 1094179660 /nfs/dbraw/zinc/17/96/60/1094179660.db2.gz LVKQTXMQGWMRDZ-UHFFFAOYSA-N 2 1 323.484 3.464 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@@H]2CC[N@@H+]4CCC[C@@H]4C2)[nH+]1)CCCC3 ZINC001120015478 1094349116 /nfs/dbraw/zinc/34/91/16/1094349116.db2.gz XTKCHPZOEOLLRI-ZIAGYGMSSA-N 2 1 310.445 3.480 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@@H]2CC[N@H+]4CCC[C@@H]4C2)[nH+]1)CCCC3 ZINC001120015478 1094349124 /nfs/dbraw/zinc/34/91/24/1094349124.db2.gz XTKCHPZOEOLLRI-ZIAGYGMSSA-N 2 1 310.445 3.480 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC001120485880 1094440653 /nfs/dbraw/zinc/44/06/53/1094440653.db2.gz QIEZRAPWIZWMLB-HXUWFJFHSA-N 2 1 312.457 3.350 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(Cc2ccccc2Cl)o1 ZINC001217713068 1094481248 /nfs/dbraw/zinc/48/12/48/1094481248.db2.gz KFPVQWJACIJYEK-AWEZNQCLSA-N 2 1 322.840 3.046 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217768781 1094493264 /nfs/dbraw/zinc/49/32/64/1094493264.db2.gz ADIMZMUAVDIFIF-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[NH2+]1 ZINC001217850423 1094505313 /nfs/dbraw/zinc/50/53/13/1094505313.db2.gz RWZASEKHYIKWTJ-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP [NH3+][C@H]1CC[C@H](CO[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001217907650 1094514766 /nfs/dbraw/zinc/51/47/66/1094514766.db2.gz CMQVIZAQQVFVDV-SZMVWBNQSA-N 2 1 320.452 3.324 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217910583 1094515668 /nfs/dbraw/zinc/51/56/68/1094515668.db2.gz MILWSTFGJMQBIK-DOTOQJQBSA-N 2 1 322.880 3.321 20 0 DGADMP Cc1ccc(N2CCC[C@@H](OCCC[C@@H]3CCC[NH2+]C3)C2)[nH+]c1 ZINC001217914511 1094516643 /nfs/dbraw/zinc/51/66/43/1094516643.db2.gz ZKGPQFZGQGZZSN-ZWKOTPCHSA-N 2 1 317.477 3.155 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001217967056 1094534056 /nfs/dbraw/zinc/53/40/56/1094534056.db2.gz MFWZLKAOPDTVMJ-OXJNMPFZSA-N 2 1 310.441 3.435 20 0 DGADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601515 1094591628 /nfs/dbraw/zinc/59/16/28/1094591628.db2.gz VEZCOQZQVXYCMT-JKSUJKDBSA-N 2 1 322.497 3.070 20 0 DGADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601513 1094591650 /nfs/dbraw/zinc/59/16/50/1094591650.db2.gz VEZCOQZQVXYCMT-HOTGVXAUSA-N 2 1 322.497 3.070 20 0 DGADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601514 1094592449 /nfs/dbraw/zinc/59/24/49/1094592449.db2.gz VEZCOQZQVXYCMT-HZPDHXFCSA-N 2 1 322.497 3.070 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770662 1094607882 /nfs/dbraw/zinc/60/78/82/1094607882.db2.gz QNPALRVRPNIDGO-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770662 1094607887 /nfs/dbraw/zinc/60/78/87/1094607887.db2.gz QNPALRVRPNIDGO-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770662 1094607892 /nfs/dbraw/zinc/60/78/92/1094607892.db2.gz QNPALRVRPNIDGO-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770662 1094607898 /nfs/dbraw/zinc/60/78/98/1094607898.db2.gz QNPALRVRPNIDGO-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678405 1094628459 /nfs/dbraw/zinc/62/84/59/1094628459.db2.gz DVOIHMNULXSCSM-CVEARBPZSA-N 2 1 322.497 3.035 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](Oc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001218177358 1094644740 /nfs/dbraw/zinc/64/47/40/1094644740.db2.gz MGVNXYDUJQBICG-FQEVSTJZSA-N 2 1 308.425 3.333 20 0 DGADMP Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309692659 1094744276 /nfs/dbraw/zinc/74/42/76/1094744276.db2.gz DGHONCOALZLTKH-LJQANCHMSA-N 2 1 309.457 3.392 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309692659 1094744297 /nfs/dbraw/zinc/74/42/97/1094744297.db2.gz DGHONCOALZLTKH-LJQANCHMSA-N 2 1 309.457 3.392 20 0 DGADMP [NH3+]Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001218389594 1094745845 /nfs/dbraw/zinc/74/58/45/1094745845.db2.gz BFNWPHUQFHKOOA-QGZVFWFLSA-N 2 1 314.404 3.328 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218410981 1094759759 /nfs/dbraw/zinc/75/97/59/1094759759.db2.gz SJGMDGCHOIGUNF-MAUKXSAKSA-N 2 1 311.429 3.145 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001135991645 1094783473 /nfs/dbraw/zinc/78/34/73/1094783473.db2.gz HYYVENZPLDNNAI-IAGOWNOFSA-N 2 1 323.525 3.092 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001135995541 1094785829 /nfs/dbraw/zinc/78/58/29/1094785829.db2.gz HPEFWRVDOZLJAD-JKSUJKDBSA-N 2 1 313.530 3.027 20 0 DGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878898 1094796672 /nfs/dbraw/zinc/79/66/72/1094796672.db2.gz SOLIYDKAWXSTMO-JKSUJKDBSA-N 2 1 322.497 3.071 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170944039 1094982054 /nfs/dbraw/zinc/98/20/54/1094982054.db2.gz OPXWMKJDUSGWAD-IXDOHACOSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170944039 1094982066 /nfs/dbraw/zinc/98/20/66/1094982066.db2.gz OPXWMKJDUSGWAD-IXDOHACOSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170944039 1094982078 /nfs/dbraw/zinc/98/20/78/1094982078.db2.gz OPXWMKJDUSGWAD-IXDOHACOSA-N 2 1 318.892 3.471 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000313718823 1095015413 /nfs/dbraw/zinc/01/54/13/1095015413.db2.gz VEBHSLVPWLBHMD-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000313718823 1095015424 /nfs/dbraw/zinc/01/54/24/1095015424.db2.gz VEBHSLVPWLBHMD-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000699540999 1095079928 /nfs/dbraw/zinc/07/99/28/1095079928.db2.gz IKRQIFJRPCLUCT-AITUJVMLSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000699540999 1095079941 /nfs/dbraw/zinc/07/99/41/1095079941.db2.gz IKRQIFJRPCLUCT-AITUJVMLSA-N 2 1 302.462 3.054 20 0 DGADMP Nc1cc(NCc2ccccc2C[NH+]2CCCCCC2)nc[nH+]1 ZINC001337772637 1095089442 /nfs/dbraw/zinc/08/94/42/1095089442.db2.gz ZZZFFQNQMJSUOQ-UHFFFAOYSA-N 2 1 311.433 3.047 20 0 DGADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246269923 1095151138 /nfs/dbraw/zinc/15/11/38/1095151138.db2.gz NTCHCSBJTUURSW-LBPRGKRZSA-N 2 1 304.356 3.105 20 0 DGADMP CCc1noc(C2CCC([NH2+][C@@H]3CCCC[C@@H]3[NH+](C)C)CC2)n1 ZINC001337980089 1095154676 /nfs/dbraw/zinc/15/46/76/1095154676.db2.gz DMOJZGPQFMHEHQ-FJBKBRRZSA-N 2 1 320.481 3.121 20 0 DGADMP [NH3+]CC1([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001246290555 1095168707 /nfs/dbraw/zinc/16/87/07/1095168707.db2.gz XZAPGBMLUJZVJW-OAHLLOKOSA-N 2 1 323.278 3.168 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948864 1095202915 /nfs/dbraw/zinc/20/29/15/1095202915.db2.gz LGXJITLHVKKMAF-QRVBRYPASA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948864 1095202928 /nfs/dbraw/zinc/20/29/28/1095202928.db2.gz LGXJITLHVKKMAF-QRVBRYPASA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948864 1095202936 /nfs/dbraw/zinc/20/29/36/1095202936.db2.gz LGXJITLHVKKMAF-QRVBRYPASA-N 2 1 302.462 3.153 20 0 DGADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316948864 1095202947 /nfs/dbraw/zinc/20/29/47/1095202947.db2.gz LGXJITLHVKKMAF-QRVBRYPASA-N 2 1 302.462 3.153 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326436 1095210768 /nfs/dbraw/zinc/21/07/68/1095210768.db2.gz OPEIAXBOJSGHBA-ZOWXZIJZSA-N 2 1 311.267 3.110 20 0 DGADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056013 1095212999 /nfs/dbraw/zinc/21/29/99/1095212999.db2.gz JOSHNGFMCYXRPU-RKVPGOIHSA-N 2 1 304.865 3.223 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171057190 1095214917 /nfs/dbraw/zinc/21/49/17/1095214917.db2.gz VRAGFSHMHVLCSY-BBWFWOEESA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171057190 1095214925 /nfs/dbraw/zinc/21/49/25/1095214925.db2.gz VRAGFSHMHVLCSY-BBWFWOEESA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171057190 1095214937 /nfs/dbraw/zinc/21/49/37/1095214937.db2.gz VRAGFSHMHVLCSY-BBWFWOEESA-N 2 1 318.892 3.471 20 0 DGADMP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450727 1095226041 /nfs/dbraw/zinc/22/60/41/1095226041.db2.gz LXNVTGDDOOQFOX-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276821752 1095255086 /nfs/dbraw/zinc/25/50/86/1095255086.db2.gz FNUMDQKWQAJBSE-UHFFFAOYSA-N 2 1 316.493 3.257 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276821785 1095255142 /nfs/dbraw/zinc/25/51/42/1095255142.db2.gz GMJMYGMJCJTPFV-UHFFFAOYSA-N 2 1 324.472 3.006 20 0 DGADMP Cc1cccn2c(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)cnc12 ZINC001136964518 1095255489 /nfs/dbraw/zinc/25/54/89/1095255489.db2.gz XFVMWVVDUJTEBO-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171072586 1095259599 /nfs/dbraw/zinc/25/95/99/1095259599.db2.gz KBPMUCPRXSNPER-MFKMUULPSA-N 2 1 301.261 3.377 20 0 DGADMP CC(C)(C)c1cc[nH+]c(N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001338420117 1095297765 /nfs/dbraw/zinc/29/77/65/1095297765.db2.gz DWWXVMCTNKRBFK-UHFFFAOYSA-N 2 1 317.477 3.117 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001171100146 1095362358 /nfs/dbraw/zinc/36/23/58/1095362358.db2.gz OHQIEFXAHBLUHA-KRWDZBQOSA-N 2 1 304.865 3.414 20 0 DGADMP COC(=[NH2+])c1cccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1 ZINC001171100659 1095363850 /nfs/dbraw/zinc/36/38/50/1095363850.db2.gz WYNSMBOZBOSIQY-CQSZACIVSA-N 2 1 319.408 3.418 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222142220 1095453529 /nfs/dbraw/zinc/45/35/29/1095453529.db2.gz XWACRRTXEIEJHQ-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP Brc1ccccc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141272 1095453753 /nfs/dbraw/zinc/45/37/53/1095453753.db2.gz JDJNQQGRHTXOHY-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP Brc1ccccc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141272 1095453756 /nfs/dbraw/zinc/45/37/56/1095453756.db2.gz JDJNQQGRHTXOHY-INIZCTEOSA-N 2 1 323.278 3.067 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C(C)C ZINC001222148751 1095456748 /nfs/dbraw/zinc/45/67/48/1095456748.db2.gz SJJTXXGRRFDDNX-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C(C)C ZINC001222148751 1095456753 /nfs/dbraw/zinc/45/67/53/1095456753.db2.gz SJJTXXGRRFDDNX-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC001222148690 1095457139 /nfs/dbraw/zinc/45/71/39/1095457139.db2.gz QGJAEUHBRJGFAW-HXUWFJFHSA-N 2 1 314.473 3.366 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC001222148690 1095457141 /nfs/dbraw/zinc/45/71/41/1095457141.db2.gz QGJAEUHBRJGFAW-HXUWFJFHSA-N 2 1 314.473 3.366 20 0 DGADMP Fc1ccccc1-c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c[nH]1 ZINC001222153894 1095461001 /nfs/dbraw/zinc/46/10/01/1095461001.db2.gz CEEZKIFREVMNQE-LJQANCHMSA-N 2 1 313.420 3.396 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1N1CCCC1 ZINC001222154207 1095461556 /nfs/dbraw/zinc/46/15/56/1095461556.db2.gz IIZDQOLPRAIJPS-IBGZPJMESA-N 2 1 317.452 3.001 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1N1CCCC1 ZINC001222154207 1095461557 /nfs/dbraw/zinc/46/15/57/1095461557.db2.gz IIZDQOLPRAIJPS-IBGZPJMESA-N 2 1 317.452 3.001 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222153809 1095461615 /nfs/dbraw/zinc/46/16/15/1095461615.db2.gz ANGJXMXNVRIBHE-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222153809 1095461617 /nfs/dbraw/zinc/46/16/17/1095461617.db2.gz ANGJXMXNVRIBHE-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP c1[nH]c2ncccc2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160301 1095467622 /nfs/dbraw/zinc/46/76/22/1095467622.db2.gz DYXOUYBQRJVCIG-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1cc2cccc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)n2n1 ZINC001222159978 1095467766 /nfs/dbraw/zinc/46/77/66/1095467766.db2.gz BFBDPNQNGMSYBS-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP c1cc2cccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)n2n1 ZINC001222159978 1095467771 /nfs/dbraw/zinc/46/77/71/1095467771.db2.gz BFBDPNQNGMSYBS-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161835 1095469335 /nfs/dbraw/zinc/46/93/35/1095469335.db2.gz RITPPFBVUMQMOD-IBGZPJMESA-N 2 1 318.509 3.453 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162117 1095469444 /nfs/dbraw/zinc/46/94/44/1095469444.db2.gz YQQQUDAYFHPMMJ-HXUWFJFHSA-N 2 1 315.505 3.498 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]c2cc[nH+]cc12 ZINC001222166665 1095470587 /nfs/dbraw/zinc/47/05/87/1095470587.db2.gz BHMCMUBCULEWMY-LJQANCHMSA-N 3 1 312.461 3.309 20 0 DGADMP c1c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]c2cc[nH+]cc12 ZINC001222166665 1095470596 /nfs/dbraw/zinc/47/05/96/1095470596.db2.gz BHMCMUBCULEWMY-LJQANCHMSA-N 3 1 312.461 3.309 20 0 DGADMP COc1cc(O)cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166866 1095470620 /nfs/dbraw/zinc/47/06/20/1095470620.db2.gz DKOXAVUYCNHMOW-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP COc1cc(O)cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166866 1095470627 /nfs/dbraw/zinc/47/06/27/1095470627.db2.gz DKOXAVUYCNHMOW-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP c1c2ccncc2[nH]c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166825 1095470994 /nfs/dbraw/zinc/47/09/94/1095470994.db2.gz CRMLPZPRVIVVCJ-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1c2ccncc2[nH]c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166825 1095471000 /nfs/dbraw/zinc/47/10/00/1095471000.db2.gz CRMLPZPRVIVVCJ-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP Cc1cc(O)cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167765 1095472879 /nfs/dbraw/zinc/47/28/79/1095472879.db2.gz QLTJTBZUMGYRPD-LJQANCHMSA-N 2 1 302.462 3.446 20 0 DGADMP c1[nH]nc2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)ccc12 ZINC001222167889 1095473069 /nfs/dbraw/zinc/47/30/69/1095473069.db2.gz UMUYNRNNVYJRMO-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP Cc1cc(F)ncc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167508 1095474231 /nfs/dbraw/zinc/47/42/31/1095474231.db2.gz MVBGOKASIWANAF-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1cc(F)ncc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167508 1095474237 /nfs/dbraw/zinc/47/42/37/1095474237.db2.gz MVBGOKASIWANAF-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP c1[nH]nc2ccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc12 ZINC001222167882 1095474327 /nfs/dbraw/zinc/47/43/27/1095474327.db2.gz ULFCTFHVFRCRTL-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222168221 1095475788 /nfs/dbraw/zinc/47/57/88/1095475788.db2.gz YCNFSDOGXPSWRP-LJQANCHMSA-N 2 1 301.478 3.444 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222181406 1095480566 /nfs/dbraw/zinc/48/05/66/1095480566.db2.gz GDZSTCUAIAJCSH-UHFFFAOYSA-N 2 1 322.452 3.308 20 0 DGADMP Fc1ccc(Cl)c(Cl)c1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222202653 1095491754 /nfs/dbraw/zinc/49/17/54/1095491754.db2.gz BUJCVTFUINXLCT-UHFFFAOYSA-N 2 1 303.208 3.318 20 0 DGADMP CC[N@@H+](CCn1ccnc1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171133578 1095493006 /nfs/dbraw/zinc/49/30/06/1095493006.db2.gz NLKYXOZTMBZFLB-QGZVFWFLSA-N 2 1 303.837 3.416 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134230 1095504580 /nfs/dbraw/zinc/50/45/80/1095504580.db2.gz VANWTIIHTLRXAH-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134230 1095504587 /nfs/dbraw/zinc/50/45/87/1095504587.db2.gz VANWTIIHTLRXAH-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134230 1095504598 /nfs/dbraw/zinc/50/45/98/1095504598.db2.gz VANWTIIHTLRXAH-SOLBZPMBSA-N 2 1 304.865 3.081 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC001116292872 1095507733 /nfs/dbraw/zinc/50/77/33/1095507733.db2.gz GHZWCWYRJREWBT-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC001116294723 1095508726 /nfs/dbraw/zinc/50/87/26/1095508726.db2.gz QDPZKXIDFKXGAG-CZUORRHYSA-N 2 1 302.418 3.261 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC001116294723 1095508734 /nfs/dbraw/zinc/50/87/34/1095508734.db2.gz QDPZKXIDFKXGAG-CZUORRHYSA-N 2 1 302.418 3.261 20 0 DGADMP CCOc1ccc(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264649 1095518832 /nfs/dbraw/zinc/51/88/32/1095518832.db2.gz DURUQUFXVIBQJV-IBGZPJMESA-N 2 1 302.462 3.359 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264649 1095518838 /nfs/dbraw/zinc/51/88/38/1095518838.db2.gz DURUQUFXVIBQJV-IBGZPJMESA-N 2 1 302.462 3.359 20 0 DGADMP c1cc2c(cc1C[NH+]1CCC3(CCCC[NH2+]3)CC1)CCCO2 ZINC001222293142 1095534318 /nfs/dbraw/zinc/53/43/18/1095534318.db2.gz PMAVLHIOYPTFSC-UHFFFAOYSA-N 2 1 300.446 3.120 20 0 DGADMP COc1c(F)c(C)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001222305354 1095540607 /nfs/dbraw/zinc/54/06/07/1095540607.db2.gz PSTQHWHLWFMICR-UHFFFAOYSA-N 2 1 311.360 3.144 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)cc21 ZINC001222320270 1095549847 /nfs/dbraw/zinc/54/98/47/1095549847.db2.gz FTABEOMHLKKWPL-FQEVSTJZSA-N 2 1 313.489 3.177 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320254 1095551358 /nfs/dbraw/zinc/55/13/58/1095551358.db2.gz FHXRCHMATJGVQE-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001116471914 1095568607 /nfs/dbraw/zinc/56/86/07/1095568607.db2.gz LMOSNAIPFJTFPQ-RHSMWYFYSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001116471914 1095568614 /nfs/dbraw/zinc/56/86/14/1095568614.db2.gz LMOSNAIPFJTFPQ-RHSMWYFYSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001116471914 1095568626 /nfs/dbraw/zinc/56/86/26/1095568626.db2.gz LMOSNAIPFJTFPQ-RHSMWYFYSA-N 2 1 321.896 3.322 20 0 DGADMP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001116471914 1095568632 /nfs/dbraw/zinc/56/86/32/1095568632.db2.gz LMOSNAIPFJTFPQ-RHSMWYFYSA-N 2 1 321.896 3.322 20 0 DGADMP COc1ccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384961 1095583690 /nfs/dbraw/zinc/58/36/90/1095583690.db2.gz CJYIAFUGPBYTHK-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384961 1095583701 /nfs/dbraw/zinc/58/37/01/1095583701.db2.gz CJYIAFUGPBYTHK-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001222422071 1095606155 /nfs/dbraw/zinc/60/61/55/1095606155.db2.gz RHMXVQFZWRETOW-HXUWFJFHSA-N 2 1 313.489 3.121 20 0 DGADMP COc1ccc(C[C@H](C)[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001116692335 1095636417 /nfs/dbraw/zinc/63/64/17/1095636417.db2.gz ZNSCXZPGLZLFDU-KRWDZBQOSA-N 2 1 304.478 3.434 20 0 DGADMP CC(C)C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222577182 1095674441 /nfs/dbraw/zinc/67/44/41/1095674441.db2.gz WMKZTFNPLOVIAG-LJQANCHMSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ncc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)cc1F ZINC001144473022 1095680867 /nfs/dbraw/zinc/68/08/67/1095680867.db2.gz LNFNSTWWDYCRDQ-UHFFFAOYSA-N 2 1 321.440 3.068 20 0 DGADMP Fc1ccccc1CCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596481 1095682345 /nfs/dbraw/zinc/68/23/45/1095682345.db2.gz WSHJGAYADHHZFP-LJQANCHMSA-N 2 1 324.443 3.447 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001222620280 1095696249 /nfs/dbraw/zinc/69/62/49/1095696249.db2.gz KWLFNXXEWDUGOE-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccc4scnc4c3)CC2)cc[nH+]1 ZINC001144744266 1095806830 /nfs/dbraw/zinc/80/68/30/1095806830.db2.gz NZCPLTRVPUOYNF-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC001117953393 1095910330 /nfs/dbraw/zinc/91/03/30/1095910330.db2.gz GCUODBSYSSBNNG-VIFPVBQESA-N 2 1 305.647 3.190 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515682 1095968143 /nfs/dbraw/zinc/96/81/43/1095968143.db2.gz OSCYAYVUINZVNK-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515682 1095968148 /nfs/dbraw/zinc/96/81/48/1095968148.db2.gz OSCYAYVUINZVNK-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001118495016 1096022285 /nfs/dbraw/zinc/02/22/85/1096022285.db2.gz ORMUXCCUNXOHIS-HOTGVXAUSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495016 1096022295 /nfs/dbraw/zinc/02/22/95/1096022295.db2.gz ORMUXCCUNXOHIS-HOTGVXAUSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495016 1096022307 /nfs/dbraw/zinc/02/23/07/1096022307.db2.gz ORMUXCCUNXOHIS-HOTGVXAUSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1cc(N[C@H]2CCOC(C)(C)C2)ccc1N1CCN(C)CC1 ZINC001119237228 1096142581 /nfs/dbraw/zinc/14/25/81/1096142581.db2.gz BAUBTQZHYGINAF-KRWDZBQOSA-N 2 1 317.477 3.116 20 0 DGADMP C[NH+](C)CC[C@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccccc1 ZINC001224137535 1096144345 /nfs/dbraw/zinc/14/43/45/1096144345.db2.gz XAECIPSJVXZSCR-YRPNKDGESA-N 2 1 316.489 3.426 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224750733 1096278261 /nfs/dbraw/zinc/27/82/61/1096278261.db2.gz SHSGNCUGJXNOSP-QGZVFWFLSA-N 2 1 322.880 3.417 20 0 DGADMP C[NH+](C)CCCCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224990880 1096329899 /nfs/dbraw/zinc/32/98/99/1096329899.db2.gz IBVFZRUNXRYDIK-INIZCTEOSA-N 2 1 310.869 3.273 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCC[NH+](C)C ZINC001224991859 1096330288 /nfs/dbraw/zinc/33/02/88/1096330288.db2.gz CVFXMDUQGOSSTO-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)CCCCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224990620 1096330583 /nfs/dbraw/zinc/33/05/83/1096330583.db2.gz CCBDKIDBBVOQED-KRWDZBQOSA-N 2 1 308.441 3.149 20 0 DGADMP Cc1ncsc1C[N@@H+]1[C@@H]2CC[C@H]1CN(c1cc[nH+]c(C)c1)C2 ZINC001277065490 1096508810 /nfs/dbraw/zinc/50/88/10/1096508810.db2.gz YLVIPKCUUWQAJJ-IYBDPMFKSA-N 2 1 314.458 3.008 20 0 DGADMP COc1cc(N2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)ccn1 ZINC001277076298 1096541849 /nfs/dbraw/zinc/54/18/49/1096541849.db2.gz VUUQTTNENXFHAB-LJQANCHMSA-N 2 1 315.461 3.325 20 0 DGADMP CN(C)c1cc(F)cc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001277097381 1096604678 /nfs/dbraw/zinc/60/46/78/1096604678.db2.gz QVTCEAHGWYNSCH-LJQANCHMSA-N 2 1 319.468 3.200 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171388248 1096640599 /nfs/dbraw/zinc/64/05/99/1096640599.db2.gz MUDYJOVCDSNGPO-HNNXBMFYSA-N 2 1 317.383 3.358 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c(F)cccc3C1)C2 ZINC001171407476 1096677631 /nfs/dbraw/zinc/67/76/31/1096677631.db2.gz INAQUHNOSXMRGD-VQHPVUNQSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c(F)cccc3C1)C2 ZINC001171407476 1096677635 /nfs/dbraw/zinc/67/76/35/1096677635.db2.gz INAQUHNOSXMRGD-VQHPVUNQSA-N 2 1 302.437 3.288 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171624305 1096937671 /nfs/dbraw/zinc/93/76/71/1096937671.db2.gz OXIRMQMZDCHSCJ-UHFFFAOYSA-N 3 1 309.542 3.348 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171638139 1096947621 /nfs/dbraw/zinc/94/76/21/1096947621.db2.gz TXDQXTWCIDBOFF-CQSZACIVSA-N 2 1 324.509 3.301 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+](CCO)Cc2cccs2)CC1(C)C ZINC001171636523 1096948161 /nfs/dbraw/zinc/94/81/61/1096948161.db2.gz HDADNQLSDRZJKU-UHFFFAOYSA-N 2 1 310.507 3.194 20 0 DGADMP C[NH+]1C(C)(C)CC([N@@H+](CCO)Cc2cccs2)CC1(C)C ZINC001171636523 1096948164 /nfs/dbraw/zinc/94/81/64/1096948164.db2.gz HDADNQLSDRZJKU-UHFFFAOYSA-N 2 1 310.507 3.194 20 0 DGADMP C[C@@H]1C[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171726816 1096955359 /nfs/dbraw/zinc/95/53/59/1096955359.db2.gz KAMUJPRNPYTYKB-AHRSYUTCSA-N 2 1 321.468 3.039 20 0 DGADMP C[C@H]1C[C@H](Nc2cccc(F)c2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727569 1096956036 /nfs/dbraw/zinc/95/60/36/1096956036.db2.gz WOVOGKDPZZNLEB-HOCLYGCPSA-N 2 1 313.420 3.359 20 0 DGADMP C[C@@H]1C[C@@H](n2c3ccccc3nc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727386 1096956113 /nfs/dbraw/zinc/95/61/13/1096956113.db2.gz VLETUFKLLZVXFR-NVXWUHKLSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@H]1C[C@H](n2ncc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171730412 1096957120 /nfs/dbraw/zinc/95/71/20/1096957120.db2.gz YQKSVCFYTOHMNU-KXBFYZLASA-N 2 1 320.440 3.331 20 0 DGADMP C[C@H]1C[C@H](n2c(C[NH3+])cc3ccncc32)C[N@H+]1Cc1ccccc1 ZINC001171734121 1096971019 /nfs/dbraw/zinc/97/10/19/1096971019.db2.gz LMUSTCJRMKPYPA-KXBFYZLASA-N 2 1 320.440 3.331 20 0 DGADMP CC[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC001171875126 1096987080 /nfs/dbraw/zinc/98/70/80/1096987080.db2.gz CLQKFMNUZOIERA-WOJBJXKFSA-N 2 1 318.505 3.175 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171961855 1097005555 /nfs/dbraw/zinc/00/55/55/1097005555.db2.gz BGJFVBYQZYEWOH-CEXWTWQISA-N 2 1 316.489 3.323 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC001171967661 1097008000 /nfs/dbraw/zinc/00/80/00/1097008000.db2.gz AXDGDZUUMLUIBL-GOSISDBHSA-N 2 1 324.472 3.052 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970875 1097020866 /nfs/dbraw/zinc/02/08/66/1097020866.db2.gz FWNUDZSNMLILDJ-BZSNNMDCSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@]1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171975217 1097022581 /nfs/dbraw/zinc/02/25/81/1097022581.db2.gz CTYOQKCPLZLYGH-PKOBYXMFSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC3(C2)CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171975828 1097022854 /nfs/dbraw/zinc/02/28/54/1097022854.db2.gz GHKUIICCVLRBHB-GOSISDBHSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC3(C2)CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171975828 1097022858 /nfs/dbraw/zinc/02/28/58/1097022858.db2.gz GHKUIICCVLRBHB-GOSISDBHSA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171974153 1097022966 /nfs/dbraw/zinc/02/29/66/1097022966.db2.gz CKOAJBABLUZSQG-FHWLQOOXSA-N 2 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974153 1097022971 /nfs/dbraw/zinc/02/29/71/1097022971.db2.gz CKOAJBABLUZSQG-FHWLQOOXSA-N 3 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171974153 1097022977 /nfs/dbraw/zinc/02/29/77/1097022977.db2.gz CKOAJBABLUZSQG-FHWLQOOXSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975311 1097023103 /nfs/dbraw/zinc/02/31/03/1097023103.db2.gz BSQCFYJDKBCMII-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975311 1097023110 /nfs/dbraw/zinc/02/31/10/1097023110.db2.gz BSQCFYJDKBCMII-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975311 1097023117 /nfs/dbraw/zinc/02/31/17/1097023117.db2.gz BSQCFYJDKBCMII-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975311 1097023124 /nfs/dbraw/zinc/02/31/24/1097023124.db2.gz BSQCFYJDKBCMII-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC001171976163 1097024232 /nfs/dbraw/zinc/02/42/32/1097024232.db2.gz ITZDSJDFVINLKL-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC001171976163 1097024238 /nfs/dbraw/zinc/02/42/38/1097024238.db2.gz ITZDSJDFVINLKL-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976163 1097024245 /nfs/dbraw/zinc/02/42/45/1097024245.db2.gz ITZDSJDFVINLKL-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976163 1097024247 /nfs/dbraw/zinc/02/42/47/1097024247.db2.gz ITZDSJDFVINLKL-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977469 1097026266 /nfs/dbraw/zinc/02/62/66/1097026266.db2.gz RLXIQBVGKMDBBT-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977469 1097026272 /nfs/dbraw/zinc/02/62/72/1097026272.db2.gz RLXIQBVGKMDBBT-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977469 1097026278 /nfs/dbraw/zinc/02/62/78/1097026278.db2.gz RLXIQBVGKMDBBT-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1O ZINC001171977469 1097026283 /nfs/dbraw/zinc/02/62/83/1097026283.db2.gz RLXIQBVGKMDBBT-NEWSRXKRSA-N 2 1 316.489 3.132 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976754 1097026469 /nfs/dbraw/zinc/02/64/69/1097026469.db2.gz NLHKWHULGAAGQM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976754 1097026474 /nfs/dbraw/zinc/02/64/74/1097026474.db2.gz NLHKWHULGAAGQM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976754 1097026480 /nfs/dbraw/zinc/02/64/80/1097026480.db2.gz NLHKWHULGAAGQM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976754 1097026485 /nfs/dbraw/zinc/02/64/85/1097026485.db2.gz NLHKWHULGAAGQM-MOPGFXCFSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3OCC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001171981394 1097027785 /nfs/dbraw/zinc/02/77/85/1097027785.db2.gz LFZMMOQBMZHSHF-GUDVDZBRSA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3OCC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001171981394 1097027790 /nfs/dbraw/zinc/02/77/90/1097027790.db2.gz LFZMMOQBMZHSHF-GUDVDZBRSA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]3OCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171981394 1097027793 /nfs/dbraw/zinc/02/77/93/1097027793.db2.gz LFZMMOQBMZHSHF-GUDVDZBRSA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3OCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171981394 1097027798 /nfs/dbraw/zinc/02/77/98/1097027798.db2.gz LFZMMOQBMZHSHF-GUDVDZBRSA-N 2 1 314.473 3.293 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171982743 1097028318 /nfs/dbraw/zinc/02/83/18/1097028318.db2.gz SUBQLHRJYWNORK-LJQANCHMSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+]([C@H]1CCOC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987937 1097028914 /nfs/dbraw/zinc/02/89/14/1097028914.db2.gz MIIHIPCSGLVBIX-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+]([C@H]1CCOC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987937 1097028919 /nfs/dbraw/zinc/02/89/19/1097028919.db2.gz MIIHIPCSGLVBIX-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987937 1097028923 /nfs/dbraw/zinc/02/89/23/1097028923.db2.gz MIIHIPCSGLVBIX-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+]([C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987937 1097028929 /nfs/dbraw/zinc/02/89/29/1097028929.db2.gz MIIHIPCSGLVBIX-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@]1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172071127 1097036640 /nfs/dbraw/zinc/03/66/40/1097036640.db2.gz UYIMCNSCLCEDOD-YRPNKDGESA-N 2 1 314.473 3.341 20 0 DGADMP COCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080698 1097039425 /nfs/dbraw/zinc/03/94/25/1097039425.db2.gz WDIDXRUNKZQDKF-BWTSREIZSA-N 2 1 302.462 3.150 20 0 DGADMP COCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080698 1097039432 /nfs/dbraw/zinc/03/94/32/1097039432.db2.gz WDIDXRUNKZQDKF-BWTSREIZSA-N 2 1 302.462 3.150 20 0 DGADMP COCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080698 1097039436 /nfs/dbraw/zinc/03/94/36/1097039436.db2.gz WDIDXRUNKZQDKF-BWTSREIZSA-N 2 1 302.462 3.150 20 0 DGADMP COCC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080754 1097039625 /nfs/dbraw/zinc/03/96/25/1097039625.db2.gz WMLLBDVUWWHPQX-ACDBMABISA-N 2 1 314.473 3.150 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCOCC2)C3)cc1 ZINC001172079751 1097039981 /nfs/dbraw/zinc/03/99/81/1097039981.db2.gz QTEZPAUIBCJGNH-PMOLBWCYSA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCOCC2)C3)cc1 ZINC001172079751 1097039986 /nfs/dbraw/zinc/03/99/86/1097039986.db2.gz QTEZPAUIBCJGNH-PMOLBWCYSA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCCOCC2)C3)cc1 ZINC001172079751 1097039993 /nfs/dbraw/zinc/03/99/93/1097039993.db2.gz QTEZPAUIBCJGNH-PMOLBWCYSA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCCOCC2)C3)cc1 ZINC001172079751 1097039999 /nfs/dbraw/zinc/03/99/99/1097039999.db2.gz QTEZPAUIBCJGNH-PMOLBWCYSA-N 2 1 314.473 3.294 20 0 DGADMP COc1c(F)cc(F)cc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098127 1097041012 /nfs/dbraw/zinc/04/10/12/1097041012.db2.gz ADLLLOVXBVBVQV-QKDCVEJESA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098127 1097041018 /nfs/dbraw/zinc/04/10/18/1097041018.db2.gz ADLLLOVXBVBVQV-QKDCVEJESA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098127 1097041025 /nfs/dbraw/zinc/04/10/25/1097041025.db2.gz ADLLLOVXBVBVQV-QKDCVEJESA-N 2 1 310.388 3.078 20 0 DGADMP C[NH+](C)CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100586 1097041763 /nfs/dbraw/zinc/04/17/63/1097041763.db2.gz FNIQHECATXOHDV-IYWMVGAKSA-N 2 1 315.505 3.284 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100916 1097042850 /nfs/dbraw/zinc/04/28/50/1097042850.db2.gz VBEWDIUZUAISJF-AKHDSKFASA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100916 1097042853 /nfs/dbraw/zinc/04/28/53/1097042853.db2.gz VBEWDIUZUAISJF-AKHDSKFASA-N 2 1 314.473 3.157 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@H]2CCOC2)C3)cc1 ZINC001172066092 1097044047 /nfs/dbraw/zinc/04/40/47/1097044047.db2.gz TXXGQZCQLCDQNU-WTGUMLROSA-N 2 1 314.473 3.198 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172064012 1097044911 /nfs/dbraw/zinc/04/49/11/1097044911.db2.gz DDSUUGRCCVIEOH-OWZKRDHZSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172064012 1097044916 /nfs/dbraw/zinc/04/49/16/1097044916.db2.gz DDSUUGRCCVIEOH-OWZKRDHZSA-N 2 1 324.472 3.095 20 0 DGADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069831 1097045252 /nfs/dbraw/zinc/04/52/52/1097045252.db2.gz XYNNYKAYFBWELJ-RACLHMPKSA-N 2 1 314.473 3.339 20 0 DGADMP [NH3+]CCc1cncn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069653 1097045463 /nfs/dbraw/zinc/04/54/63/1097045463.db2.gz WQIODCLQOJSPPB-OPVJXMOQSA-N 2 1 324.472 3.143 20 0 DGADMP [NH3+]Cc1ccnn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069132 1097045868 /nfs/dbraw/zinc/04/58/68/1097045868.db2.gz RBWHHBSYCRRSJN-DZFIZOCASA-N 2 1 310.445 3.100 20 0 DGADMP COc1cc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)ccn1 ZINC001172110829 1097056278 /nfs/dbraw/zinc/05/62/78/1097056278.db2.gz PTLZSIAQJCJVAB-VXIBKDFQSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)ccn1 ZINC001172110829 1097056282 /nfs/dbraw/zinc/05/62/82/1097056282.db2.gz PTLZSIAQJCJVAB-VXIBKDFQSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C2 ZINC001172109443 1097056709 /nfs/dbraw/zinc/05/67/09/1097056709.db2.gz DCLRCHNQCPZSPG-ZSOGYDGISA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C2 ZINC001172109443 1097056716 /nfs/dbraw/zinc/05/67/16/1097056716.db2.gz DCLRCHNQCPZSPG-ZSOGYDGISA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)C2 ZINC001172110878 1097056934 /nfs/dbraw/zinc/05/69/34/1097056934.db2.gz QJODIDOHMSGKIG-ZSOGYDGISA-N 2 1 313.367 3.205 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COc3cc(Cl)ccc31)C2 ZINC001172111008 1097057087 /nfs/dbraw/zinc/05/70/87/1097057087.db2.gz NYRNCVAVFITISY-HGTKMLMNSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COc3cc(Cl)ccc31)C2 ZINC001172111008 1097057093 /nfs/dbraw/zinc/05/70/93/1097057093.db2.gz NYRNCVAVFITISY-HGTKMLMNSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(F)c(Cl)c1)C2 ZINC001172112302 1097059396 /nfs/dbraw/zinc/05/93/96/1097059396.db2.gz UJONGFFVNCSFPT-XYYAHUGASA-N 2 1 309.816 3.409 20 0 DGADMP CCC(CC)[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112867 1097059745 /nfs/dbraw/zinc/05/97/45/1097059745.db2.gz CRHWNZGWZCIEGT-GGPHIMKMSA-N 2 1 307.526 3.244 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccccc1)C2 ZINC001172112511 1097059889 /nfs/dbraw/zinc/05/98/89/1097059889.db2.gz WQZOWSXDWXEQIK-LDLYASANSA-N 2 1 324.472 3.036 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206157347 1097060387 /nfs/dbraw/zinc/06/03/87/1097060387.db2.gz YBUVAEWNUOFFDW-LSDHHAIUSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@@H]1F ZINC001206157347 1097060394 /nfs/dbraw/zinc/06/03/94/1097060394.db2.gz YBUVAEWNUOFFDW-LSDHHAIUSA-N 2 1 318.358 3.399 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115687 1097061227 /nfs/dbraw/zinc/06/12/27/1097061227.db2.gz YTONGZLEYBBSBS-XLAORIBOSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172115687 1097061234 /nfs/dbraw/zinc/06/12/34/1097061234.db2.gz YTONGZLEYBBSBS-XLAORIBOSA-N 2 1 304.865 3.412 20 0 DGADMP COc1ccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172116089 1097061936 /nfs/dbraw/zinc/06/19/36/1097061936.db2.gz XPVSATYSEONPGW-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP COc1ccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172116089 1097061941 /nfs/dbraw/zinc/06/19/41/1097061941.db2.gz XPVSATYSEONPGW-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172116274 1097062066 /nfs/dbraw/zinc/06/20/66/1097062066.db2.gz ZTCNYWYRHWHOLP-VJDPLVQDSA-N 3 1 319.537 3.388 20 0 DGADMP CC1CCC([NH+]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001172121999 1097063019 /nfs/dbraw/zinc/06/30/19/1097063019.db2.gz OQQVKVOKPIKIOI-OLYNROPNSA-N 2 1 319.537 3.198 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172122307 1097065047 /nfs/dbraw/zinc/06/50/47/1097065047.db2.gz ZKOZODIQLAQWCZ-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172122307 1097065052 /nfs/dbraw/zinc/06/50/52/1097065052.db2.gz ZKOZODIQLAQWCZ-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172122307 1097065058 /nfs/dbraw/zinc/06/50/58/1097065058.db2.gz ZKOZODIQLAQWCZ-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120876 1097065361 /nfs/dbraw/zinc/06/53/61/1097065361.db2.gz GRMQLXUOAPQJHK-ZRNYENFQSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120876 1097065368 /nfs/dbraw/zinc/06/53/68/1097065368.db2.gz GRMQLXUOAPQJHK-ZRNYENFQSA-N 2 1 319.537 3.342 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120876 1097065374 /nfs/dbraw/zinc/06/53/74/1097065374.db2.gz GRMQLXUOAPQJHK-ZRNYENFQSA-N 2 1 319.537 3.342 20 0 DGADMP c1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CS2 ZINC001172192117 1097069668 /nfs/dbraw/zinc/06/96/68/1097069668.db2.gz BXCNORGDTVNCAF-KRWDZBQOSA-N 2 1 302.487 3.264 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172219870 1097079174 /nfs/dbraw/zinc/07/91/74/1097079174.db2.gz QAJLGZXZKMKRPS-XAOHYQHJSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172219870 1097079180 /nfs/dbraw/zinc/07/91/80/1097079180.db2.gz QAJLGZXZKMKRPS-XAOHYQHJSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172219867 1097079789 /nfs/dbraw/zinc/07/97/89/1097079789.db2.gz QAJLGZXZKMKRPS-NTHMGXEOSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172219867 1097079796 /nfs/dbraw/zinc/07/97/96/1097079796.db2.gz QAJLGZXZKMKRPS-NTHMGXEOSA-N 2 1 314.473 3.339 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001172253282 1097092354 /nfs/dbraw/zinc/09/23/54/1097092354.db2.gz JQQCDAAUNIDPQH-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001172253282 1097092358 /nfs/dbraw/zinc/09/23/58/1097092358.db2.gz JQQCDAAUNIDPQH-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP CC[C@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172253185 1097092695 /nfs/dbraw/zinc/09/26/95/1097092695.db2.gz FWTRTLKXUKKCMY-FQEVSTJZSA-N 2 1 316.489 3.497 20 0 DGADMP CC[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172253185 1097092700 /nfs/dbraw/zinc/09/27/00/1097092700.db2.gz FWTRTLKXUKKCMY-FQEVSTJZSA-N 2 1 316.489 3.497 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001172253582 1097092985 /nfs/dbraw/zinc/09/29/85/1097092985.db2.gz VJNYMFNRSDCTFR-INIZCTEOSA-N 2 1 320.477 3.189 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001172253582 1097092989 /nfs/dbraw/zinc/09/29/89/1097092989.db2.gz VJNYMFNRSDCTFR-INIZCTEOSA-N 2 1 320.477 3.189 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172283050 1097103883 /nfs/dbraw/zinc/10/38/83/1097103883.db2.gz VWQJBTRWOAYUNF-KZNAEPCWSA-N 2 1 320.452 3.465 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CC[C@@H](C)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001172373073 1097111077 /nfs/dbraw/zinc/11/10/77/1097111077.db2.gz KPNHMRXAXHZEIR-OAGGEKHMSA-N 2 1 318.509 3.366 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378598 1097114039 /nfs/dbraw/zinc/11/40/39/1097114039.db2.gz PKUXFXJCMYDRFR-IXDOHACOSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378598 1097114043 /nfs/dbraw/zinc/11/40/43/1097114043.db2.gz PKUXFXJCMYDRFR-IXDOHACOSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378598 1097114044 /nfs/dbraw/zinc/11/40/44/1097114044.db2.gz PKUXFXJCMYDRFR-IXDOHACOSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378598 1097114047 /nfs/dbraw/zinc/11/40/47/1097114047.db2.gz PKUXFXJCMYDRFR-IXDOHACOSA-N 2 1 318.509 3.364 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC001172359525 1097125441 /nfs/dbraw/zinc/12/54/41/1097125441.db2.gz JYPZGUVLCGBYLG-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172611612 1097195915 /nfs/dbraw/zinc/19/59/15/1097195915.db2.gz ZXFPFFXDMFTKDQ-JOCBIADPSA-N 2 1 322.493 3.233 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778191 1097239232 /nfs/dbraw/zinc/23/92/32/1097239232.db2.gz LGLFNNBTIAWHQA-JOCBIADPSA-N 2 1 322.493 3.233 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001172793582 1097243780 /nfs/dbraw/zinc/24/37/80/1097243780.db2.gz ZPMTYHCKFJRATC-ROUUACIJSA-N 2 1 324.509 3.161 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172803267 1097254264 /nfs/dbraw/zinc/25/42/64/1097254264.db2.gz NKOJUNDFMFYMTE-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172938280 1097287358 /nfs/dbraw/zinc/28/73/58/1097287358.db2.gz NTFPKRBYUUZBHB-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP CCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229461968 1097326212 /nfs/dbraw/zinc/32/62/12/1097326212.db2.gz HHYFEIILQNUOTG-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CCN)Cc2ccccc2)CC1 ZINC001173104057 1097329984 /nfs/dbraw/zinc/32/99/84/1097329984.db2.gz DOZTXPLJCNFPDV-UHFFFAOYSA-N 2 1 303.494 3.100 20 0 DGADMP CC[NH+](CC)C1CCC(N(CC[NH3+])Cc2ccccc2)CC1 ZINC001173104057 1097329988 /nfs/dbraw/zinc/32/99/88/1097329988.db2.gz DOZTXPLJCNFPDV-UHFFFAOYSA-N 2 1 303.494 3.100 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001173104057 1097329994 /nfs/dbraw/zinc/32/99/94/1097329994.db2.gz DOZTXPLJCNFPDV-UHFFFAOYSA-N 3 1 303.494 3.100 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001173104057 1097329998 /nfs/dbraw/zinc/32/99/98/1097329998.db2.gz DOZTXPLJCNFPDV-UHFFFAOYSA-N 3 1 303.494 3.100 20 0 DGADMP CC[NH+](CC)C1CCC(n2cc(CC[NH3+])c3cnccc32)CC1 ZINC001173107626 1097331924 /nfs/dbraw/zinc/33/19/24/1097331924.db2.gz ZQUXFGOOKDNTBX-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3C[C@H]2CN)CC1 ZINC001173111217 1097333345 /nfs/dbraw/zinc/33/33/45/1097333345.db2.gz ZZPPMBSEJGRRHN-MHJFOBGBSA-N 2 1 315.505 3.025 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3C[C@H]2CN)CC1 ZINC001173111217 1097333350 /nfs/dbraw/zinc/33/33/50/1097333350.db2.gz ZZPPMBSEJGRRHN-MHJFOBGBSA-N 2 1 315.505 3.025 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCc3ncsc3C2)CC1 ZINC001173147307 1097347658 /nfs/dbraw/zinc/34/76/58/1097347658.db2.gz VTLXSVIMXQXFHP-HNNXBMFYSA-N 2 1 307.507 3.197 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173196917 1097359662 /nfs/dbraw/zinc/35/96/62/1097359662.db2.gz WZCFPXLHVOBFJK-TVRKMHQQSA-N 2 1 302.462 3.451 20 0 DGADMP CCSC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173295203 1097399761 /nfs/dbraw/zinc/39/97/61/1097399761.db2.gz JIITVZDIUFENQE-DJIMGWMZSA-N 2 1 307.507 3.295 20 0 DGADMP CC[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278924 1097410720 /nfs/dbraw/zinc/41/07/20/1097410720.db2.gz IWEVERYBHLPJDB-FRYIKTPZSA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278924 1097410725 /nfs/dbraw/zinc/41/07/25/1097410725.db2.gz IWEVERYBHLPJDB-FRYIKTPZSA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001173278924 1097410728 /nfs/dbraw/zinc/41/07/28/1097410728.db2.gz IWEVERYBHLPJDB-FRYIKTPZSA-N 2 1 320.521 3.388 20 0 DGADMP CC[C@@H]1CC[C@@H](n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)C1 ZINC001173279757 1097411089 /nfs/dbraw/zinc/41/10/89/1097411089.db2.gz JGXIEGJUPLVWDT-HUUCEWRRSA-N 2 1 304.482 3.120 20 0 DGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC2 ZINC001173600917 1097469351 /nfs/dbraw/zinc/46/93/51/1097469351.db2.gz HAFRXGKQQHNGEB-HFCFLWKCSA-N 2 1 324.509 3.207 20 0 DGADMP c1[nH]c2cccnc2c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231489818 1097761717 /nfs/dbraw/zinc/76/17/17/1097761717.db2.gz LYKUFTVPGYJCOJ-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2cc[nH]c2cn1 ZINC001231670271 1097812331 /nfs/dbraw/zinc/81/23/31/1097812331.db2.gz YIQLWEHIFDSTPR-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231670271 1097812341 /nfs/dbraw/zinc/81/23/41/1097812341.db2.gz YIQLWEHIFDSTPR-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231670271 1097812351 /nfs/dbraw/zinc/81/23/51/1097812351.db2.gz YIQLWEHIFDSTPR-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)(C)C)cc3)C[C@H]2C1 ZINC001231808842 1097851809 /nfs/dbraw/zinc/85/18/09/1097851809.db2.gz XHSZRMJGAIWASS-IAGOWNOFSA-N 2 1 302.462 3.247 20 0 DGADMP COC(=O)CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232014645 1097918109 /nfs/dbraw/zinc/91/81/09/1097918109.db2.gz UNYWXJBIIOMZNE-UHFFFAOYSA-N 2 1 323.396 3.128 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc2ncccc2[nH]1 ZINC001232066228 1097928492 /nfs/dbraw/zinc/92/84/92/1097928492.db2.gz QUEJNCUTDNKBGN-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2ncccc2[nH]1 ZINC001232066228 1097928499 /nfs/dbraw/zinc/92/84/99/1097928499.db2.gz QUEJNCUTDNKBGN-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2ncccc2[nH]1 ZINC001232066228 1097928504 /nfs/dbraw/zinc/92/85/04/1097928504.db2.gz QUEJNCUTDNKBGN-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2ncccc2[nH]1 ZINC001232066228 1097928509 /nfs/dbraw/zinc/92/85/09/1097928509.db2.gz QUEJNCUTDNKBGN-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2ncccc2[nH]1 ZINC001232066228 1097928514 /nfs/dbraw/zinc/92/85/14/1097928514.db2.gz QUEJNCUTDNKBGN-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP Cc1ccc(C[N@@H+](C)Cc2cc(F)cc(C[NH+](C)C)c2)cn1 ZINC001232150550 1097951915 /nfs/dbraw/zinc/95/19/15/1097951915.db2.gz YZCJYRJBEPRTTG-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2cc(F)cc(C[NH+](C)C)c2)cn1 ZINC001232150550 1097951922 /nfs/dbraw/zinc/95/19/22/1097951922.db2.gz YZCJYRJBEPRTTG-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP CSc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)cn1 ZINC001232331567 1098007475 /nfs/dbraw/zinc/00/74/75/1098007475.db2.gz UFHWZHIXRPPCFE-OAHLLOKOSA-N 2 1 315.442 3.160 20 0 DGADMP CSc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)cn1 ZINC001232331567 1098007478 /nfs/dbraw/zinc/00/74/78/1098007478.db2.gz UFHWZHIXRPPCFE-OAHLLOKOSA-N 2 1 315.442 3.160 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(C)n1 ZINC001232336639 1098009218 /nfs/dbraw/zinc/00/92/18/1098009218.db2.gz SMNKBEXFHJCUPX-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(C)n1 ZINC001232336639 1098009223 /nfs/dbraw/zinc/00/92/23/1098009223.db2.gz SMNKBEXFHJCUPX-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001232336639 1098009229 /nfs/dbraw/zinc/00/92/29/1098009229.db2.gz SMNKBEXFHJCUPX-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(C)n1 ZINC001232336639 1098009233 /nfs/dbraw/zinc/00/92/33/1098009233.db2.gz SMNKBEXFHJCUPX-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)O2)CC1 ZINC001175352482 1098021926 /nfs/dbraw/zinc/02/19/26/1098021926.db2.gz PRTMMAKITORLBR-MSOLQXFVSA-N 2 1 324.509 3.114 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(CF)n1 ZINC001232539862 1098071608 /nfs/dbraw/zinc/07/16/08/1098071608.db2.gz RZKTTZFLGBJSGL-ZWKOTPCHSA-N 2 1 305.441 3.390 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(CF)n1 ZINC001232539862 1098071615 /nfs/dbraw/zinc/07/16/15/1098071615.db2.gz RZKTTZFLGBJSGL-ZWKOTPCHSA-N 2 1 305.441 3.390 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(CF)n1 ZINC001232539862 1098071622 /nfs/dbraw/zinc/07/16/22/1098071622.db2.gz RZKTTZFLGBJSGL-ZWKOTPCHSA-N 2 1 305.441 3.390 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(CF)n1 ZINC001232539862 1098071628 /nfs/dbraw/zinc/07/16/28/1098071628.db2.gz RZKTTZFLGBJSGL-ZWKOTPCHSA-N 2 1 305.441 3.390 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001277680096 1098074824 /nfs/dbraw/zinc/07/48/24/1098074824.db2.gz LBAXAVZQXADJEM-LJQANCHMSA-N 2 1 310.445 3.211 20 0 DGADMP Cc1cc[nH+]c(N2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001277680096 1098074826 /nfs/dbraw/zinc/07/48/26/1098074826.db2.gz LBAXAVZQXADJEM-LJQANCHMSA-N 2 1 310.445 3.211 20 0 DGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564509 1098099766 /nfs/dbraw/zinc/09/97/66/1098099766.db2.gz BZEKUGHGKRZSKD-MRXNPFEDSA-N 2 1 322.497 3.071 20 0 DGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001175643767 1098113294 /nfs/dbraw/zinc/11/32/94/1098113294.db2.gz GJRUQBLTVMGKKB-HZPDHXFCSA-N 2 1 322.497 3.043 20 0 DGADMP Cc1ccc[nH+]c1N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001277708259 1098125720 /nfs/dbraw/zinc/12/57/20/1098125720.db2.gz VFJAZOYKNHENHW-MSOLQXFVSA-N 2 1 311.433 3.160 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233125868 1098233302 /nfs/dbraw/zinc/23/33/02/1098233302.db2.gz DZNMKJASMHDFDF-UHFFFAOYSA-N 2 1 316.424 3.010 20 0 DGADMP Cc1c[nH]c(=O)c(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001233198541 1098249669 /nfs/dbraw/zinc/24/96/69/1098249669.db2.gz RDLRLLGAKVVVLP-UHFFFAOYSA-N 2 1 317.477 3.325 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001176285254 1098300035 /nfs/dbraw/zinc/30/00/35/1098300035.db2.gz NZSVWFKPQFKYAL-QGZVFWFLSA-N 2 1 313.530 3.029 20 0 DGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176284404 1098300111 /nfs/dbraw/zinc/30/01/11/1098300111.db2.gz FYYOPKVFZFBLLB-KRWDZBQOSA-N 2 1 313.530 3.173 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176285731 1098301366 /nfs/dbraw/zinc/30/13/66/1098301366.db2.gz PYCFMNYMHBMSIC-MRXNPFEDSA-N 2 1 313.530 3.029 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC001233406289 1098319882 /nfs/dbraw/zinc/31/98/82/1098319882.db2.gz IMYIZJCGXKBNBY-UHFFFAOYSA-N 2 1 322.403 3.129 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC001233406289 1098319889 /nfs/dbraw/zinc/31/98/89/1098319889.db2.gz IMYIZJCGXKBNBY-UHFFFAOYSA-N 2 1 322.403 3.129 20 0 DGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753305 1098434397 /nfs/dbraw/zinc/43/43/97/1098434397.db2.gz FQDIQIBXBGELRG-QGZVFWFLSA-N 2 1 313.530 3.027 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176753378 1098434100 /nfs/dbraw/zinc/43/41/00/1098434100.db2.gz HEVCTXMCZNBQMP-KRWDZBQOSA-N 2 1 323.525 3.092 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C ZINC001176759257 1098434363 /nfs/dbraw/zinc/43/43/63/1098434363.db2.gz HOSQUYSSFJFXRV-MSOLQXFVSA-N 2 1 323.525 3.092 20 0 DGADMP Cc1cc(C)cc(C2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001176803116 1098436486 /nfs/dbraw/zinc/43/64/86/1098436486.db2.gz BVLGXOQOOOQVTG-HXUWFJFHSA-N 2 1 318.505 3.184 20 0 DGADMP Cc1cc(C)cc(C2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001176803116 1098436491 /nfs/dbraw/zinc/43/64/91/1098436491.db2.gz BVLGXOQOOOQVTG-HXUWFJFHSA-N 2 1 318.505 3.184 20 0 DGADMP CC(C)(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001277843895 1098527920 /nfs/dbraw/zinc/52/79/20/1098527920.db2.gz DLWSATFORLIEJM-MOPGFXCFSA-N 2 1 317.477 3.155 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C)n1 ZINC001177669399 1098573917 /nfs/dbraw/zinc/57/39/17/1098573917.db2.gz XTXVRQKIDWOLQL-FQEVSTJZSA-N 2 1 323.484 3.353 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC(C)(C)C1 ZINC001177736828 1098595512 /nfs/dbraw/zinc/59/55/12/1098595512.db2.gz BDHUEXUAUSLLHG-FUHWJXTLSA-N 2 1 309.542 3.064 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001177737415 1098596633 /nfs/dbraw/zinc/59/66/33/1098596633.db2.gz OTRJIRYPKGJKSJ-UHFFFAOYSA-N 2 1 309.542 3.066 20 0 DGADMP Cc1[nH]c(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001234635129 1098626171 /nfs/dbraw/zinc/62/61/71/1098626171.db2.gz LWOVEDXOZRGNPR-UHFFFAOYSA-N 2 1 312.461 3.123 20 0 DGADMP Cc1[nH]c(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001234635129 1098626173 /nfs/dbraw/zinc/62/61/73/1098626173.db2.gz LWOVEDXOZRGNPR-UHFFFAOYSA-N 2 1 312.461 3.123 20 0 DGADMP CCOC(=O)CCCN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277880426 1098652457 /nfs/dbraw/zinc/65/24/57/1098652457.db2.gz KHNZKEGVVPSDEY-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277880426 1098652461 /nfs/dbraw/zinc/65/24/61/1098652461.db2.gz KHNZKEGVVPSDEY-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277880426 1098652465 /nfs/dbraw/zinc/65/24/65/1098652465.db2.gz KHNZKEGVVPSDEY-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277880426 1098652470 /nfs/dbraw/zinc/65/24/70/1098652470.db2.gz KHNZKEGVVPSDEY-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277880426 1098652477 /nfs/dbraw/zinc/65/24/77/1098652477.db2.gz KHNZKEGVVPSDEY-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206311747 1098662759 /nfs/dbraw/zinc/66/27/59/1098662759.db2.gz UFOVECUSWIOFAX-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP Clc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC001234978159 1098731720 /nfs/dbraw/zinc/73/17/20/1098731720.db2.gz GQTGEHDEKFIUJA-OKILXGFUSA-N 2 1 302.805 3.251 20 0 DGADMP Clc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC001234978159 1098731732 /nfs/dbraw/zinc/73/17/32/1098731732.db2.gz GQTGEHDEKFIUJA-OKILXGFUSA-N 2 1 302.805 3.251 20 0 DGADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234980111 1098733310 /nfs/dbraw/zinc/73/33/10/1098733310.db2.gz ULKCBVLIZYHLLE-KDURUIRLSA-N 2 1 321.468 3.414 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1CC ZINC001234992241 1098736794 /nfs/dbraw/zinc/73/67/94/1098736794.db2.gz HWPXHHVZMIPZBZ-LJQANCHMSA-N 2 1 302.462 3.223 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1CC ZINC001234992241 1098736802 /nfs/dbraw/zinc/73/68/02/1098736802.db2.gz HWPXHHVZMIPZBZ-LJQANCHMSA-N 2 1 302.462 3.223 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234999451 1098742647 /nfs/dbraw/zinc/74/26/47/1098742647.db2.gz MGMSQKWFNZTHMR-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234999451 1098742653 /nfs/dbraw/zinc/74/26/53/1098742653.db2.gz MGMSQKWFNZTHMR-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP c1ccc2c(c1)cccc2C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235006533 1098746616 /nfs/dbraw/zinc/74/66/16/1098746616.db2.gz IWCGLIUQOIWHSM-FQEVSTJZSA-N 2 1 310.441 3.042 20 0 DGADMP CC1=CC[C@@H](CC[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001235006601 1098747228 /nfs/dbraw/zinc/74/72/28/1098747228.db2.gz JIFZNVYXPQVPPW-HKUYNNGSSA-N 2 1 306.494 3.071 20 0 DGADMP c1cc(C2CCC2)ccc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235022171 1098755917 /nfs/dbraw/zinc/75/59/17/1098755917.db2.gz LFUVYMWBFXGYFS-HXUWFJFHSA-N 2 1 314.473 3.156 20 0 DGADMP c1cc(C2CCC2)ccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235022171 1098755934 /nfs/dbraw/zinc/75/59/34/1098755934.db2.gz LFUVYMWBFXGYFS-HXUWFJFHSA-N 2 1 314.473 3.156 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235025990 1098756795 /nfs/dbraw/zinc/75/67/95/1098756795.db2.gz ITGCFCCJKSGBCK-UHFFFAOYSA-N 2 1 308.425 3.158 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235025990 1098756805 /nfs/dbraw/zinc/75/68/05/1098756805.db2.gz ITGCFCCJKSGBCK-UHFFFAOYSA-N 2 1 308.425 3.158 20 0 DGADMP Fc1ccc(-c2ccccc2C[N@@H+]2CCC3(C[NH2+]C3)C2)c(F)c1 ZINC001235027189 1098757073 /nfs/dbraw/zinc/75/70/73/1098757073.db2.gz WOXVMKGOHMHCDB-UHFFFAOYSA-N 2 1 314.379 3.427 20 0 DGADMP Fc1ccc(-c2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)c(F)c1 ZINC001235027189 1098757078 /nfs/dbraw/zinc/75/70/78/1098757078.db2.gz WOXVMKGOHMHCDB-UHFFFAOYSA-N 2 1 314.379 3.427 20 0 DGADMP Clc1ccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)nc1 ZINC001235025953 1098757508 /nfs/dbraw/zinc/75/75/08/1098757508.db2.gz HHVHJCLWWLOLLF-UHFFFAOYSA-N 2 1 313.832 3.197 20 0 DGADMP Clc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)nc1 ZINC001235025953 1098757518 /nfs/dbraw/zinc/75/75/18/1098757518.db2.gz HHVHJCLWWLOLLF-UHFFFAOYSA-N 2 1 313.832 3.197 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(N2CCCC2)c1 ZINC001277919643 1098777046 /nfs/dbraw/zinc/77/70/46/1098777046.db2.gz JYIORLYZNQXMJJ-AYHJJNSGSA-N 2 1 317.452 3.141 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(N2CCCC2)c1 ZINC001277919643 1098777059 /nfs/dbraw/zinc/77/70/59/1098777059.db2.gz JYIORLYZNQXMJJ-AYHJJNSGSA-N 2 1 317.452 3.141 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c(C)c1 ZINC001235087341 1098791608 /nfs/dbraw/zinc/79/16/08/1098791608.db2.gz GDACMPFBYMDKDQ-QGZVFWFLSA-N 2 1 308.416 3.433 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1C ZINC001235091795 1098792447 /nfs/dbraw/zinc/79/24/47/1098792447.db2.gz CCSYSZYBFPCEOX-UHFFFAOYSA-N 2 1 302.462 3.196 20 0 DGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091605 1098792618 /nfs/dbraw/zinc/79/26/18/1098792618.db2.gz FYQFJWVKINIGLJ-UHFFFAOYSA-N 2 1 323.868 3.098 20 0 DGADMP Clc1cccc2[nH]cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c21 ZINC001235091458 1098793800 /nfs/dbraw/zinc/79/38/00/1098793800.db2.gz CBLDKMRCEKJDNY-UHFFFAOYSA-N 2 1 303.837 3.397 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC001235093959 1098795663 /nfs/dbraw/zinc/79/56/63/1098795663.db2.gz ULHMJKIOHJZJBG-UHFFFAOYSA-N 2 1 317.477 3.144 20 0 DGADMP Fc1ccc(Cl)c(F)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092511 1098796712 /nfs/dbraw/zinc/79/67/12/1098796712.db2.gz KQLLIWGOCHBIBO-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1ccc(Cl)c(F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092511 1098796724 /nfs/dbraw/zinc/79/67/24/1098796724.db2.gz KQLLIWGOCHBIBO-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP c1ccc2[nH]c(C[N@H+]3CCCC4(CC[NH+](C5CC5)CC4)C3)nc2c1 ZINC001277923470 1098807375 /nfs/dbraw/zinc/80/73/75/1098807375.db2.gz XVLISDUOSYCDSQ-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235117269 1098818864 /nfs/dbraw/zinc/81/88/64/1098818864.db2.gz ZSWXKTMILMMZSK-GOSISDBHSA-N 2 1 316.470 3.164 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1Cl ZINC001235139792 1098833950 /nfs/dbraw/zinc/83/39/50/1098833950.db2.gz DIJLZPBURJOYCV-UHFFFAOYSA-N 2 1 308.853 3.457 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1Cl ZINC001235139792 1098833958 /nfs/dbraw/zinc/83/39/58/1098833958.db2.gz DIJLZPBURJOYCV-UHFFFAOYSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235152179 1098837219 /nfs/dbraw/zinc/83/72/19/1098837219.db2.gz DHUACOSARIUDBT-SFHVURJKSA-N 2 1 306.425 3.188 20 0 DGADMP COc1ccc(CCC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235151311 1098837376 /nfs/dbraw/zinc/83/73/76/1098837376.db2.gz FYNYDNOUPYZMFM-FQEVSTJZSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235153054 1098840155 /nfs/dbraw/zinc/84/01/55/1098840155.db2.gz DCHRGGXBSDJLJJ-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001235158724 1098843656 /nfs/dbraw/zinc/84/36/56/1098843656.db2.gz VKESDEJSUAUARP-KRWDZBQOSA-N 2 1 307.869 3.398 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CCCN2 ZINC001235159668 1098844013 /nfs/dbraw/zinc/84/40/13/1098844013.db2.gz NGPXAQRDFDGPOZ-FQEVSTJZSA-N 2 1 313.489 3.399 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159868 1098845283 /nfs/dbraw/zinc/84/52/83/1098845283.db2.gz XGEQDJBIDQNVMN-YJBOKZPZSA-N 2 1 318.509 3.288 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2nsnc12 ZINC001235157963 1098845369 /nfs/dbraw/zinc/84/53/69/1098845369.db2.gz SRESYDZXSWZLBK-QGZVFWFLSA-N 2 1 316.474 3.045 20 0 DGADMP Oc1cc(F)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235161739 1098846694 /nfs/dbraw/zinc/84/66/94/1098846694.db2.gz UTPORXZFFKOKRO-MRXNPFEDSA-N 2 1 310.388 3.025 20 0 DGADMP Oc1cc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235161739 1098846704 /nfs/dbraw/zinc/84/67/04/1098846704.db2.gz UTPORXZFFKOKRO-MRXNPFEDSA-N 2 1 310.388 3.025 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001235168792 1098851046 /nfs/dbraw/zinc/85/10/46/1098851046.db2.gz UPKIYONCXSZNSZ-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001235168792 1098851050 /nfs/dbraw/zinc/85/10/50/1098851050.db2.gz UPKIYONCXSZNSZ-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP CCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001178526762 1098856284 /nfs/dbraw/zinc/85/62/84/1098856284.db2.gz BCVNAGTVHOJYIK-MRXNPFEDSA-N 2 1 322.497 3.073 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235184784 1098863760 /nfs/dbraw/zinc/86/37/60/1098863760.db2.gz NZWHBTOYNJXUOS-MJGOQNOKSA-N 2 1 322.452 3.404 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc21 ZINC001235194620 1098869141 /nfs/dbraw/zinc/86/91/41/1098869141.db2.gz ZNKDCZVWDZVSKG-IAGOWNOFSA-N 2 1 319.452 3.373 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c(OCc2ccccc2)cc1C ZINC001235208946 1098879961 /nfs/dbraw/zinc/87/99/61/1098879961.db2.gz CCEWXPDSMUYYLP-KXTWHKPSSA-N 2 1 322.452 3.271 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c(OCc2ccccc2)cc1C ZINC001235208946 1098879969 /nfs/dbraw/zinc/87/99/69/1098879969.db2.gz CCEWXPDSMUYYLP-KXTWHKPSSA-N 2 1 322.452 3.271 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC=C(C)C ZINC001178634050 1098893006 /nfs/dbraw/zinc/89/30/06/1098893006.db2.gz MOSUHBAOKHJFIZ-GOSISDBHSA-N 2 1 323.525 3.093 20 0 DGADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235232039 1098906523 /nfs/dbraw/zinc/90/65/23/1098906523.db2.gz SGDOBVMRMDSZSP-HOCLYGCPSA-N 2 1 312.379 3.141 20 0 DGADMP CCc1cccc(C)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235232039 1098906531 /nfs/dbraw/zinc/90/65/31/1098906531.db2.gz SGDOBVMRMDSZSP-HOCLYGCPSA-N 2 1 312.379 3.141 20 0 DGADMP COc1nccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235239053 1098911761 /nfs/dbraw/zinc/91/17/61/1098911761.db2.gz SMWRIVWPKAYFBB-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP Fc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cnc1Cl ZINC001235241143 1098913613 /nfs/dbraw/zinc/91/36/13/1098913613.db2.gz YVOJMXQNXLWBPF-OAHLLOKOSA-N 2 1 311.832 3.228 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235254311 1098925209 /nfs/dbraw/zinc/92/52/09/1098925209.db2.gz HYWAZCDTERXRCM-GOEBONIOSA-N 2 1 312.379 3.322 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235258236 1098928716 /nfs/dbraw/zinc/92/87/16/1098928716.db2.gz PPXDVYJBGJNQHU-CTNGQTDRSA-N 2 1 321.468 3.213 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235258236 1098928728 /nfs/dbraw/zinc/92/87/28/1098928728.db2.gz PPXDVYJBGJNQHU-CTNGQTDRSA-N 2 1 321.468 3.213 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235262342 1098932651 /nfs/dbraw/zinc/93/26/51/1098932651.db2.gz LABIIXUHBSHQFC-UYAOXDASSA-N 2 1 308.425 3.243 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235265637 1098938179 /nfs/dbraw/zinc/93/81/79/1098938179.db2.gz CVYLNYKANPZVHI-RTWAWAEBSA-N 2 1 306.453 3.461 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C(C)C ZINC001235267805 1098940253 /nfs/dbraw/zinc/94/02/53/1098940253.db2.gz JDSMJWDMDCKMCO-YJBOKZPZSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C(C)C ZINC001235267805 1098940264 /nfs/dbraw/zinc/94/02/64/1098940264.db2.gz JDSMJWDMDCKMCO-YJBOKZPZSA-N 2 1 302.462 3.311 20 0 DGADMP Fc1ccc(Cl)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1F ZINC001235340235 1098964340 /nfs/dbraw/zinc/96/43/40/1098964340.db2.gz ORPBLBFUFYPIHU-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP Fc1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001235341147 1098965089 /nfs/dbraw/zinc/96/50/89/1098965089.db2.gz OPBJVDWHILYCLH-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235350475 1098972862 /nfs/dbraw/zinc/97/28/62/1098972862.db2.gz HZZQFUDDEVKWEW-WOJBJXKFSA-N 2 1 310.441 3.421 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235350475 1098972866 /nfs/dbraw/zinc/97/28/66/1098972866.db2.gz HZZQFUDDEVKWEW-WOJBJXKFSA-N 2 1 310.441 3.421 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235364368 1098980743 /nfs/dbraw/zinc/98/07/43/1098980743.db2.gz YABIEVLNVKNPDN-DMPNSMEDSA-N 2 1 322.496 3.452 20 0 DGADMP CS[C@H](C)CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368381 1098984642 /nfs/dbraw/zinc/98/46/42/1098984642.db2.gz WBYFUNFEPHAWHD-NZSAHSFTSA-N 2 1 318.530 3.381 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001235377055 1098986657 /nfs/dbraw/zinc/98/66/57/1098986657.db2.gz NOBPLQWQRGIFDK-RTWAWAEBSA-N 2 1 321.468 3.223 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001235377055 1098986664 /nfs/dbraw/zinc/98/66/64/1098986664.db2.gz NOBPLQWQRGIFDK-RTWAWAEBSA-N 2 1 321.468 3.223 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235379856 1098987727 /nfs/dbraw/zinc/98/77/27/1098987727.db2.gz RUEUKKSGVWBWOJ-RTWAWAEBSA-N 2 1 322.452 3.274 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377870 1098988516 /nfs/dbraw/zinc/98/85/16/1098988516.db2.gz FJXLQRBFLRSRCU-OSTWSGHESA-N 2 1 308.469 3.278 20 0 DGADMP C[N@H+](Cc1c(Cl)cc(O)cc1Cl)CC1CC[NH2+]CC1 ZINC001235433418 1099032945 /nfs/dbraw/zinc/03/29/45/1099032945.db2.gz HHIUAAHISNSHCX-UHFFFAOYSA-N 2 1 303.233 3.130 20 0 DGADMP CC(C)(C)c1cccc(C[N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1 ZINC001235396829 1098993379 /nfs/dbraw/zinc/99/33/79/1098993379.db2.gz MQSWYSKOLQCJHX-WBVHZDCISA-N 2 1 304.453 3.493 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401023 1098996515 /nfs/dbraw/zinc/99/65/15/1098996515.db2.gz FRLIYBSENKWERG-OALUTQOASA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401023 1098996523 /nfs/dbraw/zinc/99/65/23/1098996523.db2.gz FRLIYBSENKWERG-OALUTQOASA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1Cl ZINC001235402250 1098998892 /nfs/dbraw/zinc/99/88/92/1098998892.db2.gz WKOOZQXQPCDNIH-DOTOQJQBSA-N 2 1 310.844 3.480 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1Cl ZINC001235402250 1098998901 /nfs/dbraw/zinc/99/89/01/1098998901.db2.gz WKOOZQXQPCDNIH-DOTOQJQBSA-N 2 1 310.844 3.480 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235407458 1099005382 /nfs/dbraw/zinc/00/53/82/1099005382.db2.gz RURXAZTUNDVBAW-MJGOQNOKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235407458 1099005394 /nfs/dbraw/zinc/00/53/94/1099005394.db2.gz RURXAZTUNDVBAW-MJGOQNOKSA-N 2 1 320.452 3.387 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235409863 1099005885 /nfs/dbraw/zinc/00/58/85/1099005885.db2.gz XLNFFDYPRJYJCD-MOPGFXCFSA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235409863 1099005896 /nfs/dbraw/zinc/00/58/96/1099005896.db2.gz XLNFFDYPRJYJCD-MOPGFXCFSA-N 2 1 320.452 3.389 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409917 1099008229 /nfs/dbraw/zinc/00/82/29/1099008229.db2.gz XSBPYCDHEMGDEH-WBVHZDCISA-N 2 1 321.827 3.345 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409917 1099008240 /nfs/dbraw/zinc/00/82/40/1099008240.db2.gz XSBPYCDHEMGDEH-WBVHZDCISA-N 2 1 321.827 3.345 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001235421125 1099012803 /nfs/dbraw/zinc/01/28/03/1099012803.db2.gz BEDVBQBZTPZIOR-QZTJIDSGSA-N 2 1 317.477 3.080 20 0 DGADMP Fc1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235422226 1099014443 /nfs/dbraw/zinc/01/44/43/1099014443.db2.gz AGLKTIJNPNCWGT-QZTJIDSGSA-N 2 1 304.453 3.470 20 0 DGADMP Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235424372 1099016790 /nfs/dbraw/zinc/01/67/90/1099016790.db2.gz HHGYDKOACGIYTR-ZIAGYGMSSA-N 2 1 308.853 3.257 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424490 1099017034 /nfs/dbraw/zinc/01/70/34/1099017034.db2.gz IGSZOTYRPLDUOV-QZTJIDSGSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235425148 1099017549 /nfs/dbraw/zinc/01/75/49/1099017549.db2.gz ILOOGOIQNIGXBO-GDBMZVCRSA-N 2 1 308.416 3.485 20 0 DGADMP Fc1cc(F)c(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425635 1099020582 /nfs/dbraw/zinc/02/05/82/1099020582.db2.gz MEHNCFVGNIEHSN-CHWSQXEVSA-N 2 1 312.379 3.316 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428336 1099021561 /nfs/dbraw/zinc/02/15/61/1099021561.db2.gz PLGOACSBFJVQAI-HUUCEWRRSA-N 2 1 307.869 3.255 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235428348 1099021664 /nfs/dbraw/zinc/02/16/64/1099021664.db2.gz OEHLJMIENDUEFP-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)cc1F ZINC001235428091 1099023324 /nfs/dbraw/zinc/02/33/24/1099023324.db2.gz OSEHJWSLIDGUSJ-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235430340 1099025963 /nfs/dbraw/zinc/02/59/63/1099025963.db2.gz WUEDHXXNJVHXEW-DLBZAZTESA-N 2 1 320.452 3.436 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429846 1099026882 /nfs/dbraw/zinc/02/68/82/1099026882.db2.gz RQGYCKGGDSZUTF-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP CN(C)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235431180 1099027769 /nfs/dbraw/zinc/02/77/69/1099027769.db2.gz LUPOKZMNONNGNL-IAGOWNOFSA-N 2 1 319.468 3.103 20 0 DGADMP C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)CC1CC[NH2+]CC1 ZINC001235433475 1099030816 /nfs/dbraw/zinc/03/08/16/1099030816.db2.gz IZJCLYHRDCOJPC-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP Cc1c(Cl)c(Br)ccc1C[N@@H+](C)CCC[NH3+] ZINC001235435347 1099034604 /nfs/dbraw/zinc/03/46/04/1099034604.db2.gz KWGLYBGZLPLDMI-UHFFFAOYSA-N 2 1 305.647 3.192 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC001235441619 1099035909 /nfs/dbraw/zinc/03/59/09/1099035909.db2.gz PWXBFBPYEMIFOL-RHSMWYFYSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC001235441621 1099037803 /nfs/dbraw/zinc/03/78/03/1099037803.db2.gz PWXBFBPYEMIFOL-WMLDXEAASA-N 2 1 308.416 3.357 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001235446209 1099038926 /nfs/dbraw/zinc/03/89/26/1099038926.db2.gz WQGGECRAAKMBPI-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001235446209 1099038939 /nfs/dbraw/zinc/03/89/39/1099038939.db2.gz WQGGECRAAKMBPI-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cncc(F)c2Cl)CC1 ZINC001235497445 1099063735 /nfs/dbraw/zinc/06/37/35/1099063735.db2.gz UMLROBHTWYWMIO-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cncc(F)c2Cl)CC1 ZINC001235497445 1099063748 /nfs/dbraw/zinc/06/37/48/1099063748.db2.gz UMLROBHTWYWMIO-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(N)c4)C[C@@H]3C2)cc1 ZINC001235520163 1099070780 /nfs/dbraw/zinc/07/07/80/1099070780.db2.gz SYCUTXSFJJQESJ-BGYRXZFFSA-N 2 1 321.468 3.141 20 0 DGADMP C(C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC001235595558 1099096604 /nfs/dbraw/zinc/09/66/04/1099096604.db2.gz XJRSWOLDFRMGCA-XWSJACJDSA-N 2 1 306.494 3.046 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC001277959471 1099108245 /nfs/dbraw/zinc/10/82/45/1099108245.db2.gz SOFVRUFABFRNOT-CADBVGFASA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC001277959471 1099108252 /nfs/dbraw/zinc/10/82/52/1099108252.db2.gz SOFVRUFABFRNOT-CADBVGFASA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1 ZINC001277959471 1099108260 /nfs/dbraw/zinc/10/82/60/1099108260.db2.gz SOFVRUFABFRNOT-CADBVGFASA-N 2 1 310.526 3.227 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1OC ZINC001235672878 1099115947 /nfs/dbraw/zinc/11/59/47/1099115947.db2.gz AIGXCSLEJJKVGO-DLBZAZTESA-N 2 1 318.461 3.373 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1OC ZINC001235672878 1099115952 /nfs/dbraw/zinc/11/59/52/1099115952.db2.gz AIGXCSLEJJKVGO-DLBZAZTESA-N 2 1 318.461 3.373 20 0 DGADMP c1cc2n(c1C[N@@H+]1CCC[C@@H](Cc3ccccc3)C1)CC[NH2+]C2 ZINC001235672408 1099116265 /nfs/dbraw/zinc/11/62/65/1099116265.db2.gz CRTNSALBDRCZPK-SFHVURJKSA-N 2 1 309.457 3.046 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1OC ZINC001235672879 1099116653 /nfs/dbraw/zinc/11/66/53/1099116653.db2.gz AIGXCSLEJJKVGO-IAGOWNOFSA-N 2 1 318.461 3.373 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1OC ZINC001235672879 1099116659 /nfs/dbraw/zinc/11/66/59/1099116659.db2.gz AIGXCSLEJJKVGO-IAGOWNOFSA-N 2 1 318.461 3.373 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C)cc1Br ZINC001235675682 1099117953 /nfs/dbraw/zinc/11/79/53/1099117953.db2.gz LCLBAOHCIVFIPM-CYBMUJFWSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)cc1Br ZINC001235675682 1099117955 /nfs/dbraw/zinc/11/79/55/1099117955.db2.gz LCLBAOHCIVFIPM-CYBMUJFWSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235676090 1099118393 /nfs/dbraw/zinc/11/83/93/1099118393.db2.gz VNUKKJLHVNYEPN-CVEARBPZSA-N 2 1 322.880 3.491 20 0 DGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235676090 1099118400 /nfs/dbraw/zinc/11/84/00/1099118400.db2.gz VNUKKJLHVNYEPN-CVEARBPZSA-N 2 1 322.880 3.491 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)c(Cl)c2OC)CC1 ZINC001235679829 1099122233 /nfs/dbraw/zinc/12/22/33/1099122233.db2.gz OFYLGKKOJZJXJC-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235688613 1099129004 /nfs/dbraw/zinc/12/90/04/1099129004.db2.gz SCHLUPGLPVSINS-IBGZPJMESA-N 2 1 312.388 3.082 20 0 DGADMP CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235693346 1099133053 /nfs/dbraw/zinc/13/30/53/1099133053.db2.gz ABGSHTKHNYNIMG-GOSISDBHSA-N 2 1 301.478 3.251 20 0 DGADMP CC(C)c1nc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cs1 ZINC001235701984 1099136496 /nfs/dbraw/zinc/13/64/96/1099136496.db2.gz PTYCNRHWHROAIB-UHFFFAOYSA-N 2 1 307.507 3.478 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC001235712606 1099142204 /nfs/dbraw/zinc/14/22/04/1099142204.db2.gz LPLHTLUJJFPDPN-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP c1c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC001235715278 1099143585 /nfs/dbraw/zinc/14/35/85/1099143585.db2.gz PBGXJKSEKVYYLF-INIZCTEOSA-N 2 1 312.482 3.458 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001235718789 1099146140 /nfs/dbraw/zinc/14/61/40/1099146140.db2.gz NQDWYOQIENNQPL-XPKDYRNWSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001235718789 1099146146 /nfs/dbraw/zinc/14/61/46/1099146146.db2.gz NQDWYOQIENNQPL-XPKDYRNWSA-N 2 1 312.379 3.453 20 0 DGADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235726767 1099149148 /nfs/dbraw/zinc/14/91/48/1099149148.db2.gz PNMCKZOJDVDNEY-SFHVURJKSA-N 2 1 310.416 3.461 20 0 DGADMP CC[NH2+]C1CC[NH+](Cc2ccc3cc(N(C)C)ccc3c2)CC1 ZINC001235726941 1099149551 /nfs/dbraw/zinc/14/95/51/1099149551.db2.gz RLZWGJDRVYMEFF-UHFFFAOYSA-N 2 1 311.473 3.480 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001235727500 1099151176 /nfs/dbraw/zinc/15/11/76/1099151176.db2.gz SOJVJTLKCVHOEX-QAPCUYQASA-N 2 1 320.502 3.175 20 0 DGADMP COc1ccc(Oc2cccc(C[N@H+]3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC001235748870 1099163727 /nfs/dbraw/zinc/16/37/27/1099163727.db2.gz DUHIOAPJJFZWDA-INIZCTEOSA-N 2 1 312.413 3.268 20 0 DGADMP CCOc1ccc(C[N@H+](CC)C2CC[NH2+]CC2)c(OCC)c1 ZINC001235759844 1099168749 /nfs/dbraw/zinc/16/87/49/1099168749.db2.gz BVYXKWMZYWDJDO-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)c(OCC)c1 ZINC001235759844 1099168752 /nfs/dbraw/zinc/16/87/52/1099168752.db2.gz BVYXKWMZYWDJDO-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1F ZINC001235804951 1099187219 /nfs/dbraw/zinc/18/72/19/1099187219.db2.gz FMUHAFZWPUWBTJ-MRXNPFEDSA-N 2 1 316.376 3.273 20 0 DGADMP CCOc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1F ZINC001235804951 1099187224 /nfs/dbraw/zinc/18/72/24/1099187224.db2.gz FMUHAFZWPUWBTJ-MRXNPFEDSA-N 2 1 316.376 3.273 20 0 DGADMP Cc1nc(F)ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001235817791 1099194038 /nfs/dbraw/zinc/19/40/38/1099194038.db2.gz SUJVYXOFFNCZJL-DLBZAZTESA-N 2 1 305.441 3.368 20 0 DGADMP Cc1nc(F)ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235817791 1099194041 /nfs/dbraw/zinc/19/40/41/1099194041.db2.gz SUJVYXOFFNCZJL-DLBZAZTESA-N 2 1 305.441 3.368 20 0 DGADMP Cc1nc(F)ccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001235817791 1099194044 /nfs/dbraw/zinc/19/40/44/1099194044.db2.gz SUJVYXOFFNCZJL-DLBZAZTESA-N 2 1 305.441 3.368 20 0 DGADMP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001235817791 1099194048 /nfs/dbraw/zinc/19/40/48/1099194048.db2.gz SUJVYXOFFNCZJL-DLBZAZTESA-N 2 1 305.441 3.368 20 0 DGADMP CC1(C)[NH2+][C@@H](CCN2CC[C@@H](c3ccccc3Cl)C2)CO1 ZINC001235826765 1099196664 /nfs/dbraw/zinc/19/66/64/1099196664.db2.gz BOQAVYSUTQSRJQ-KGLIPLIRSA-N 2 1 308.853 3.244 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001235841723 1099204328 /nfs/dbraw/zinc/20/43/28/1099204328.db2.gz IDAAVRCBOMUODA-NSHDSACASA-N 2 1 317.658 3.144 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001235841723 1099204331 /nfs/dbraw/zinc/20/43/31/1099204331.db2.gz IDAAVRCBOMUODA-NSHDSACASA-N 2 1 317.658 3.144 20 0 DGADMP C[N@H+](Cc1ccc2occ(Br)c2c1)C[C@H]1CC[NH2+]C1 ZINC001235841210 1099205049 /nfs/dbraw/zinc/20/50/49/1099205049.db2.gz ZOJDENXINHSWPL-LBPRGKRZSA-N 2 1 323.234 3.237 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001235843138 1099205965 /nfs/dbraw/zinc/20/59/65/1099205965.db2.gz WHUSECWYSOSKFQ-LLVKDONJSA-N 2 1 322.758 3.280 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001235843138 1099205969 /nfs/dbraw/zinc/20/59/69/1099205969.db2.gz WHUSECWYSOSKFQ-LLVKDONJSA-N 2 1 322.758 3.280 20 0 DGADMP C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842572 1099206023 /nfs/dbraw/zinc/20/60/23/1099206023.db2.gz OXIJSMGLUYWMQU-CYBMUJFWSA-N 2 1 301.261 3.467 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001235842822 1099207000 /nfs/dbraw/zinc/20/70/00/1099207000.db2.gz RSXOVBROTMEVIW-NSHDSACASA-N 2 1 322.758 3.280 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001235842822 1099207007 /nfs/dbraw/zinc/20/70/07/1099207007.db2.gz RSXOVBROTMEVIW-NSHDSACASA-N 2 1 322.758 3.280 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH2+][C@@H](CC(C)C)C1 ZINC001235880570 1099230004 /nfs/dbraw/zinc/23/00/04/1099230004.db2.gz CUYCAHIKAFNBRH-SFHVURJKSA-N 2 1 312.461 3.001 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc2c1NC(C)(C)C=C2 ZINC001235925629 1099260958 /nfs/dbraw/zinc/26/09/58/1099260958.db2.gz MTXKVGYSQOGOEZ-INIZCTEOSA-N 2 1 315.461 3.226 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001235925095 1099262121 /nfs/dbraw/zinc/26/21/21/1099262121.db2.gz ABCMLACPFLFXGU-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001235925095 1099262131 /nfs/dbraw/zinc/26/21/31/1099262131.db2.gz ABCMLACPFLFXGU-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235925707 1099262784 /nfs/dbraw/zinc/26/27/84/1099262784.db2.gz XXOBMJLWZKGOTJ-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929349 1099264525 /nfs/dbraw/zinc/26/45/25/1099264525.db2.gz MPSMPPIJWUXIBX-CABCVRRESA-N 2 1 312.379 3.179 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235928942 1099264569 /nfs/dbraw/zinc/26/45/69/1099264569.db2.gz FWUXKGQQPJXJIC-GJZGRUSLSA-N 2 1 312.379 3.179 20 0 DGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179989003 1099266112 /nfs/dbraw/zinc/26/61/12/1099266112.db2.gz SICWYGNLZALKMJ-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235935825 1099270651 /nfs/dbraw/zinc/27/06/51/1099270651.db2.gz FEKKKLYHNZNNAF-CABCVRRESA-N 2 1 308.853 3.169 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235935825 1099270662 /nfs/dbraw/zinc/27/06/62/1099270662.db2.gz FEKKKLYHNZNNAF-CABCVRRESA-N 2 1 308.853 3.169 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235935835 1099270758 /nfs/dbraw/zinc/27/07/58/1099270758.db2.gz FEKKKLYHNZNNAF-HUUCEWRRSA-N 2 1 308.853 3.169 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235935835 1099270768 /nfs/dbraw/zinc/27/07/68/1099270768.db2.gz FEKKKLYHNZNNAF-HUUCEWRRSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235938610 1099271893 /nfs/dbraw/zinc/27/18/93/1099271893.db2.gz LNYOVKNTTBFBAG-SJORKVTESA-N 2 1 310.441 3.280 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939144 1099274922 /nfs/dbraw/zinc/27/49/22/1099274922.db2.gz NXSIPEUYTGXCIK-GJZGRUSLSA-N 2 1 323.278 3.053 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939144 1099274925 /nfs/dbraw/zinc/27/49/25/1099274925.db2.gz NXSIPEUYTGXCIK-GJZGRUSLSA-N 2 1 323.278 3.053 20 0 DGADMP COCCC[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH2+]CC1 ZINC001235940601 1099275438 /nfs/dbraw/zinc/27/54/38/1099275438.db2.gz VRRRSMZQBYEDDD-UHFFFAOYSA-N 2 1 320.452 3.294 20 0 DGADMP COCC[N@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC001235945028 1099279407 /nfs/dbraw/zinc/27/94/07/1099279407.db2.gz QULPOCRYKXJBTK-UHFFFAOYSA-N 2 1 314.429 3.147 20 0 DGADMP COCC[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC001235945028 1099279413 /nfs/dbraw/zinc/27/94/13/1099279413.db2.gz QULPOCRYKXJBTK-UHFFFAOYSA-N 2 1 314.429 3.147 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001235949843 1099283366 /nfs/dbraw/zinc/28/33/66/1099283366.db2.gz UUQJOVXHCSQIBO-SMDDNHRTSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC001235949843 1099283374 /nfs/dbraw/zinc/28/33/74/1099283374.db2.gz UUQJOVXHCSQIBO-SMDDNHRTSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235949334 1099284061 /nfs/dbraw/zinc/28/40/61/1099284061.db2.gz FCKWYCNEHXUEHB-FVQBIDKESA-N 2 1 300.437 3.379 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235949334 1099284069 /nfs/dbraw/zinc/28/40/69/1099284069.db2.gz FCKWYCNEHXUEHB-FVQBIDKESA-N 2 1 300.437 3.379 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235949333 1099284255 /nfs/dbraw/zinc/28/42/55/1099284255.db2.gz FCKWYCNEHXUEHB-BMFZPTHFSA-N 2 1 300.437 3.379 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235949333 1099284263 /nfs/dbraw/zinc/28/42/63/1099284263.db2.gz FCKWYCNEHXUEHB-BMFZPTHFSA-N 2 1 300.437 3.379 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956258 1099287052 /nfs/dbraw/zinc/28/70/52/1099287052.db2.gz BJPVINXBNLUEGH-LBPRGKRZSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956258 1099287060 /nfs/dbraw/zinc/28/70/60/1099287060.db2.gz BJPVINXBNLUEGH-LBPRGKRZSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235956230 1099287100 /nfs/dbraw/zinc/28/71/00/1099287100.db2.gz AWAQXFHLVPIJRW-MRXNPFEDSA-N 2 1 318.461 3.073 20 0 DGADMP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235956230 1099287109 /nfs/dbraw/zinc/28/71/09/1099287109.db2.gz AWAQXFHLVPIJRW-MRXNPFEDSA-N 2 1 318.461 3.073 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])ccc2c1 ZINC001235959574 1099291369 /nfs/dbraw/zinc/29/13/69/1099291369.db2.gz KAXYEBSSKBEWNK-OPVJXMOQSA-N 2 1 309.457 3.075 20 0 DGADMP CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235963133 1099293506 /nfs/dbraw/zinc/29/35/06/1099293506.db2.gz PQVDGFGWENYPTO-UHFFFAOYSA-N 2 1 322.452 3.426 20 0 DGADMP CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235963133 1099293515 /nfs/dbraw/zinc/29/35/15/1099293515.db2.gz PQVDGFGWENYPTO-UHFFFAOYSA-N 2 1 322.452 3.426 20 0 DGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(OC)c1 ZINC001235963090 1099294784 /nfs/dbraw/zinc/29/47/84/1099294784.db2.gz UEBYCUUVEGCMEV-UHFFFAOYSA-N 2 1 316.470 3.425 20 0 DGADMP COc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963520 1099296069 /nfs/dbraw/zinc/29/60/69/1099296069.db2.gz WEWPZEMQACZPKB-VNHYZAJKSA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963520 1099296076 /nfs/dbraw/zinc/29/60/76/1099296076.db2.gz WEWPZEMQACZPKB-VNHYZAJKSA-N 2 1 312.404 3.179 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001235963968 1099296225 /nfs/dbraw/zinc/29/62/25/1099296225.db2.gz XGPWOZSIFNOXJB-PBHICJAKSA-N 2 1 306.400 3.267 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001235963968 1099296232 /nfs/dbraw/zinc/29/62/32/1099296232.db2.gz XGPWOZSIFNOXJB-PBHICJAKSA-N 2 1 306.400 3.267 20 0 DGADMP COc1ccccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975907 1099303855 /nfs/dbraw/zinc/30/38/55/1099303855.db2.gz YJSLANFEBMJSKO-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP c1csc(CC[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235975782 1099304071 /nfs/dbraw/zinc/30/40/71/1099304071.db2.gz WMLBTROXJBRDSM-UHFFFAOYSA-N 2 1 312.482 3.428 20 0 DGADMP Fc1cccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236004223 1099325384 /nfs/dbraw/zinc/32/53/84/1099325384.db2.gz CPYLVAXBMDZYNK-CTNGQTDRSA-N 2 1 324.443 3.231 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236009631 1099333520 /nfs/dbraw/zinc/33/35/20/1099333520.db2.gz LEECJYVTDPOJPO-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1cc(F)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236009631 1099333534 /nfs/dbraw/zinc/33/35/34/1099333534.db2.gz LEECJYVTDPOJPO-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236009470 1099334123 /nfs/dbraw/zinc/33/41/23/1099334123.db2.gz MSQQWIIMESMBFY-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP Fc1ccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236013107 1099336378 /nfs/dbraw/zinc/33/63/78/1099336378.db2.gz XDSGVLDNQZIDSK-CTNGQTDRSA-N 2 1 324.443 3.231 20 0 DGADMP c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011610 1099336730 /nfs/dbraw/zinc/33/67/30/1099336730.db2.gz AQDXXFDMBZOMDU-NQIIRXRSSA-N 2 1 317.436 3.141 20 0 DGADMP c1c2ccccc2[nH]c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011610 1099336741 /nfs/dbraw/zinc/33/67/41/1099336741.db2.gz AQDXXFDMBZOMDU-NQIIRXRSSA-N 2 1 317.436 3.141 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044043 1099345107 /nfs/dbraw/zinc/34/51/07/1099345107.db2.gz ISXQLGJCKJCGPN-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044043 1099345120 /nfs/dbraw/zinc/34/51/20/1099345120.db2.gz ISXQLGJCKJCGPN-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044185 1099345856 /nfs/dbraw/zinc/34/58/56/1099345856.db2.gz KLJCSXIMZZNFJV-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044185 1099345870 /nfs/dbraw/zinc/34/58/70/1099345870.db2.gz KLJCSXIMZZNFJV-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP Fc1cccc2c1CC[N@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001236048196 1099350209 /nfs/dbraw/zinc/35/02/09/1099350209.db2.gz NPIQVZXFCKCEKQ-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP Fc1cccc2c1CC[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001236048196 1099350220 /nfs/dbraw/zinc/35/02/20/1099350220.db2.gz NPIQVZXFCKCEKQ-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP CCCCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274536 1099364325 /nfs/dbraw/zinc/36/43/25/1099364325.db2.gz JGUKJUPZIDPFSO-UHFFFAOYSA-N 2 1 322.497 3.038 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3C)C1 ZINC001236068277 1099368663 /nfs/dbraw/zinc/36/86/63/1099368663.db2.gz XMPKXTDXHMEXLY-INIZCTEOSA-N 2 1 307.441 3.373 20 0 DGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369786 1099397643 /nfs/dbraw/zinc/39/76/43/1099397643.db2.gz XNOBHSKAZCLCEK-UHFFFAOYSA-N 2 1 313.530 3.029 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC001236177576 1099447325 /nfs/dbraw/zinc/44/73/25/1099447325.db2.gz CIQNDHVGKZMRTM-HXUWFJFHSA-N 2 1 315.505 3.246 20 0 DGADMP [NH3+]CCCCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001236177576 1099447331 /nfs/dbraw/zinc/44/73/31/1099447331.db2.gz CIQNDHVGKZMRTM-HXUWFJFHSA-N 2 1 315.505 3.246 20 0 DGADMP [NH3+]CCCCCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001236177576 1099447336 /nfs/dbraw/zinc/44/73/36/1099447336.db2.gz CIQNDHVGKZMRTM-HXUWFJFHSA-N 2 1 315.505 3.246 20 0 DGADMP CCC[N@H+](Cc1cccc(OC(C)(C)C)n1)C1CC[NH2+]CC1 ZINC001236182320 1099452494 /nfs/dbraw/zinc/45/24/94/1099452494.db2.gz KOHKEDRRQZFUCV-UHFFFAOYSA-N 2 1 305.466 3.223 20 0 DGADMP CCC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C1CC[NH2+]CC1 ZINC001236182320 1099452500 /nfs/dbraw/zinc/45/25/00/1099452500.db2.gz KOHKEDRRQZFUCV-UHFFFAOYSA-N 2 1 305.466 3.223 20 0 DGADMP c1ccc(-c2cccc(N3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC001236183333 1099453416 /nfs/dbraw/zinc/45/34/16/1099453416.db2.gz WXAHSHGSMCXYBI-SFHVURJKSA-N 2 1 321.468 3.085 20 0 DGADMP C[N@H+](Cc1ccccc1-c1nccs1)[C@]1(C)CCC[NH2+]C1 ZINC001236206982 1099462361 /nfs/dbraw/zinc/46/23/61/1099462361.db2.gz MMYUYPAJCBLYKP-QGZVFWFLSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@@H+](Cc1ccccc1-c1nccs1)[C@]1(C)CCC[NH2+]C1 ZINC001236206982 1099462367 /nfs/dbraw/zinc/46/23/67/1099462367.db2.gz MMYUYPAJCBLYKP-QGZVFWFLSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CCCCO)CC1 ZINC001236214655 1099470508 /nfs/dbraw/zinc/47/05/08/1099470508.db2.gz UMZZVFBVXGGITO-UHFFFAOYSA-N 2 1 310.869 3.009 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CCCCO)CC1 ZINC001236214655 1099470513 /nfs/dbraw/zinc/47/05/13/1099470513.db2.gz UMZZVFBVXGGITO-UHFFFAOYSA-N 2 1 310.869 3.009 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217192 1099473699 /nfs/dbraw/zinc/47/36/99/1099473699.db2.gz OCDSHMAIGUIUOS-DLBZAZTESA-N 2 1 305.441 3.128 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217192 1099473705 /nfs/dbraw/zinc/47/37/05/1099473705.db2.gz OCDSHMAIGUIUOS-DLBZAZTESA-N 2 1 305.441 3.128 20 0 DGADMP Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Br ZINC001236219433 1099475607 /nfs/dbraw/zinc/47/56/07/1099475607.db2.gz WEZWCIBKXBBSFD-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Br ZINC001236219433 1099475618 /nfs/dbraw/zinc/47/56/18/1099475618.db2.gz WEZWCIBKXBBSFD-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](Cc1ccc(OC2CCCCC2)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222110 1099480382 /nfs/dbraw/zinc/48/03/82/1099480382.db2.gz GGTMGZHYVUVOEN-QAQDUYKDSA-N 2 1 317.477 3.495 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227093 1099483292 /nfs/dbraw/zinc/48/32/92/1099483292.db2.gz ZNQOAOZQBATMDN-UHFFFAOYSA-N 2 1 316.367 3.468 20 0 DGADMP [NH3+]C1CCC([N@@H+](CC[C@H]2CCCC[NH2+]2)Cc2ccccc2)CC1 ZINC001236228307 1099483313 /nfs/dbraw/zinc/48/33/13/1099483313.db2.gz SMTFRSCYBHFUHJ-IOJLRTSASA-N 3 1 315.505 3.291 20 0 DGADMP [NH3+]C1CCC([N@@H+](CCC23CC([NH3+])(C2)C3)Cc2ccccc2)CC1 ZINC001236227371 1099484404 /nfs/dbraw/zinc/48/44/04/1099484404.db2.gz DHGHYVNVLKXESP-UHFFFAOYSA-N 3 1 313.489 3.030 20 0 DGADMP CCOC(=O)C[N@H+](CCC1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC001236267101 1099507563 /nfs/dbraw/zinc/50/75/63/1099507563.db2.gz ZIFVCUGUNKIMFF-MRXNPFEDSA-N 2 1 318.461 3.002 20 0 DGADMP CCOC(=O)C[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC001236267101 1099507571 /nfs/dbraw/zinc/50/75/71/1099507571.db2.gz ZIFVCUGUNKIMFF-MRXNPFEDSA-N 2 1 318.461 3.002 20 0 DGADMP COc1ccc(CC[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236286776 1099519466 /nfs/dbraw/zinc/51/94/66/1099519466.db2.gz OUXBGBWPUWIRDO-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001236308474 1099527491 /nfs/dbraw/zinc/52/74/91/1099527491.db2.gz RJAXYYSVCQTVLJ-DYVFJYSZSA-N 2 1 324.415 3.062 20 0 DGADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cn2)cs1 ZINC001236320237 1099533165 /nfs/dbraw/zinc/53/31/65/1099533165.db2.gz NMCWUJZLUDUMJY-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP Clc1ccc2c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c2c1 ZINC001236319904 1099534802 /nfs/dbraw/zinc/53/48/02/1099534802.db2.gz HOEUDDCANRDRAN-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321679 1099535268 /nfs/dbraw/zinc/53/52/68/1099535268.db2.gz KWBORRYAXKMBQY-GASCZTMLSA-N 2 1 312.379 3.445 20 0 DGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1Cl ZINC001236322511 1099536450 /nfs/dbraw/zinc/53/64/50/1099536450.db2.gz ZSNLPGJVRPIKNB-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001236337301 1099546388 /nfs/dbraw/zinc/54/63/88/1099546388.db2.gz ZXEQRGVVCTWADB-AEFFLSMTSA-N 2 1 302.462 3.264 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372707 1099557801 /nfs/dbraw/zinc/55/78/01/1099557801.db2.gz SZSDEQPRJAMKRV-SJORKVTESA-N 2 1 324.509 3.210 20 0 DGADMP Oc1ccc(F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374093 1099559306 /nfs/dbraw/zinc/55/93/06/1099559306.db2.gz OYNQMTZDUAHCLX-AWEZNQCLSA-N 2 1 306.425 3.276 20 0 DGADMP Oc1ccc(F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374093 1099559317 /nfs/dbraw/zinc/55/93/17/1099559317.db2.gz OYNQMTZDUAHCLX-AWEZNQCLSA-N 2 1 306.425 3.276 20 0 DGADMP CCOc1ccnc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374561 1099559571 /nfs/dbraw/zinc/55/95/71/1099559571.db2.gz DWOFNGDSFNOYFO-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(C)n1 ZINC001236374513 1099560020 /nfs/dbraw/zinc/56/00/20/1099560020.db2.gz DJUQJAJODFRDQO-KRWDZBQOSA-N 2 1 301.478 3.443 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c1)CCO2 ZINC001236374191 1099560768 /nfs/dbraw/zinc/56/07/68/1099560768.db2.gz BFSLYJKQRNDRFW-MRXNPFEDSA-N 2 1 314.473 3.366 20 0 DGADMP Cc1c(O)cccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236377179 1099563878 /nfs/dbraw/zinc/56/38/78/1099563878.db2.gz YLIFDNZNYPTEIU-INIZCTEOSA-N 2 1 302.462 3.445 20 0 DGADMP COc1cc(C)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cn1 ZINC001236377154 1099565236 /nfs/dbraw/zinc/56/52/36/1099565236.db2.gz YHIGTUVDSLMKGE-INIZCTEOSA-N 2 1 317.477 3.143 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236407295 1099578660 /nfs/dbraw/zinc/57/86/60/1099578660.db2.gz CVMHUPMOFYWKAV-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1cc(C)ccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236407356 1099579231 /nfs/dbraw/zinc/57/92/31/1099579231.db2.gz DPIREIFINQIAIF-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408047 1099580753 /nfs/dbraw/zinc/58/07/53/1099580753.db2.gz KLKAXEXWNFSFFE-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236408487 1099582803 /nfs/dbraw/zinc/58/28/03/1099582803.db2.gz NIJCISMHBIAOQP-INIZCTEOSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410336 1099584548 /nfs/dbraw/zinc/58/45/48/1099584548.db2.gz YUWKGVQCBAOGPC-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410336 1099584555 /nfs/dbraw/zinc/58/45/55/1099584555.db2.gz YUWKGVQCBAOGPC-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001236422599 1099598839 /nfs/dbraw/zinc/59/88/39/1099598839.db2.gz YMYVCHYBBXNIRR-ZWKOTPCHSA-N 2 1 308.510 3.338 20 0 DGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433354 1099609332 /nfs/dbraw/zinc/60/93/32/1099609332.db2.gz FUZBPVVVHXPZNF-SFHVURJKSA-N 2 1 303.425 3.338 20 0 DGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433354 1099609335 /nfs/dbraw/zinc/60/93/35/1099609335.db2.gz FUZBPVVVHXPZNF-SFHVURJKSA-N 2 1 303.425 3.338 20 0 DGADMP CN(C)c1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458538 1099622031 /nfs/dbraw/zinc/62/20/31/1099622031.db2.gz WJCWLSRIEYPNDT-UHFFFAOYSA-N 2 1 303.494 3.353 20 0 DGADMP COc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc(OC)c1 ZINC001236458583 1099622436 /nfs/dbraw/zinc/62/24/36/1099622436.db2.gz UBVGFJGVYVFILW-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CN(C)c1ccccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458584 1099622512 /nfs/dbraw/zinc/62/25/12/1099622512.db2.gz UDZNFXOJLQCUKT-UHFFFAOYSA-N 2 1 303.494 3.353 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC001236458692 1099622898 /nfs/dbraw/zinc/62/28/98/1099622898.db2.gz VUDAGZPKLGUMMI-UHFFFAOYSA-N 2 1 304.434 3.015 20 0 DGADMP CCOCC[N@H+](Cc1cc2ccccc2s1)C1CC[NH2+]CC1 ZINC001236460844 1099624469 /nfs/dbraw/zinc/62/44/69/1099624469.db2.gz TWFXQRFMQQQQKB-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CCOCC[N@@H+](Cc1cc2ccccc2s1)C1CC[NH2+]CC1 ZINC001236460844 1099624476 /nfs/dbraw/zinc/62/44/76/1099624476.db2.gz TWFXQRFMQQQQKB-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CCOCC[N@@H+](Cc1cccc2sccc21)C1CC[NH2+]CC1 ZINC001236460285 1099625321 /nfs/dbraw/zinc/62/53/21/1099625321.db2.gz CTCOABIHWFJORT-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP CC(C)C[N@H+](Cc1ccc(-c2cncnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477757 1099634901 /nfs/dbraw/zinc/63/49/01/1099634901.db2.gz LPHIVCLGDVPFJR-HXUWFJFHSA-N 2 1 324.472 3.354 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc(-c2cncnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477757 1099634903 /nfs/dbraw/zinc/63/49/03/1099634903.db2.gz LPHIVCLGDVPFJR-HXUWFJFHSA-N 2 1 324.472 3.354 20 0 DGADMP [NH3+]CCCCC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236534686 1099669484 /nfs/dbraw/zinc/66/94/84/1099669484.db2.gz ZXWQMFOZKFJYCB-QAQDUYKDSA-N 3 1 307.457 3.027 20 0 DGADMP CCOc1cc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236542998 1099672793 /nfs/dbraw/zinc/67/27/93/1099672793.db2.gz KYAAWIAURTWLHF-IYARVYRRSA-N 2 1 317.477 3.352 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554542 1099677046 /nfs/dbraw/zinc/67/70/46/1099677046.db2.gz KACQFYYFXCHURG-MXVIHJGJSA-N 3 1 315.505 3.060 20 0 DGADMP CC(C)C[N@@H+](Cc1nc(Cl)ccc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551011 1099677143 /nfs/dbraw/zinc/67/71/43/1099677143.db2.gz IGRZGXNMJSZEGG-JOCQHMNTSA-N 2 1 310.873 3.045 20 0 DGADMP CCC1(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)COC1 ZINC001236554537 1099677234 /nfs/dbraw/zinc/67/72/34/1099677234.db2.gz JTSIKECQTMIULL-WGSAOQKQSA-N 2 1 316.489 3.494 20 0 DGADMP COc1cc(F)c(F)cc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553217 1099677329 /nfs/dbraw/zinc/67/73/29/1099677329.db2.gz PRYPGVHCAUQNRK-SHTZXODSSA-N 2 1 324.415 3.455 20 0 DGADMP COc1cccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236550988 1099677736 /nfs/dbraw/zinc/67/77/36/1099677736.db2.gz HCYCKGNKHNYUJH-WKILWMFISA-N 2 1 305.466 3.005 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CCC2)CC1 ZINC001236572943 1099684851 /nfs/dbraw/zinc/68/48/51/1099684851.db2.gz XJFDNCUIMOVZAO-KOMQPUFPSA-N 3 1 319.518 3.018 20 0 DGADMP COc1cc(C)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1C ZINC001236597281 1099694073 /nfs/dbraw/zinc/69/40/73/1099694073.db2.gz BHYGISOKSSAOJB-MRXNPFEDSA-N 2 1 302.462 3.276 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599102 1099695137 /nfs/dbraw/zinc/69/51/37/1099695137.db2.gz PPDBPVVRPATFTK-CQSZACIVSA-N 2 1 310.388 3.252 20 0 DGADMP COc1c(C)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1C ZINC001236599579 1099695748 /nfs/dbraw/zinc/69/57/48/1099695748.db2.gz SUEPFNJFTOPKMC-MRXNPFEDSA-N 2 1 302.462 3.276 20 0 DGADMP CC(C)(C)c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccn1 ZINC001236600014 1099695826 /nfs/dbraw/zinc/69/58/26/1099695826.db2.gz FLUSNKBSIDCAPJ-INIZCTEOSA-N 2 1 301.478 3.343 20 0 DGADMP CC(C)(C)c1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccn1 ZINC001236600014 1099695829 /nfs/dbraw/zinc/69/58/29/1099695829.db2.gz FLUSNKBSIDCAPJ-INIZCTEOSA-N 2 1 301.478 3.343 20 0 DGADMP c1ccn(-c2ccccc2C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236602121 1099697393 /nfs/dbraw/zinc/69/73/93/1099697393.db2.gz UEKFBOWDVKEZPT-KRWDZBQOSA-N 2 1 309.457 3.441 20 0 DGADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001236605754 1099700943 /nfs/dbraw/zinc/70/09/43/1099700943.db2.gz RFMJRXFLZCIMGV-UHFFFAOYSA-N 2 1 316.276 3.470 20 0 DGADMP CCOc1cc(C)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236606797 1099701315 /nfs/dbraw/zinc/70/13/15/1099701315.db2.gz VQLJSHHLMFIBBA-INIZCTEOSA-N 2 1 302.462 3.358 20 0 DGADMP CCOc1cc(C)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236606797 1099701324 /nfs/dbraw/zinc/70/13/24/1099701324.db2.gz VQLJSHHLMFIBBA-INIZCTEOSA-N 2 1 302.462 3.358 20 0 DGADMP CCCCc1ccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001236624281 1099710971 /nfs/dbraw/zinc/71/09/71/1099710971.db2.gz XLIMBWQITMQJKD-FQEVSTJZSA-N 2 1 315.505 3.027 20 0 DGADMP CCCCc1ccc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001236624282 1099711928 /nfs/dbraw/zinc/71/19/28/1099711928.db2.gz XLIMBWQITMQJKD-HXUWFJFHSA-N 2 1 315.505 3.027 20 0 DGADMP [NH3+]CCCCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741710 1099767395 /nfs/dbraw/zinc/76/73/95/1099767395.db2.gz IXOUJOVTYCCIQM-WGSAOQKQSA-N 3 1 321.484 3.417 20 0 DGADMP CCC(CC)[N@@H+](C[C@H](N)Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783565 1099780768 /nfs/dbraw/zinc/78/07/68/1099780768.db2.gz UPKLOPKAFDRGND-QWFCFKBJSA-N 2 1 317.521 3.317 20 0 DGADMP CCC[N@@H+](Cc1ccc(Cl)c(OC)c1F)C[C@H]1CC[NH2+]C1 ZINC001236836867 1099822582 /nfs/dbraw/zinc/82/25/82/1099822582.db2.gz YUTWYFINGJBOJM-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1ccc(Cl)c(OC)c1F)C[C@H]1CC[NH2+]C1 ZINC001236836867 1099822598 /nfs/dbraw/zinc/82/25/98/1099822598.db2.gz YUTWYFINGJBOJM-LBPRGKRZSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC)cc1OCC)C[C@@H]1CC[NH2+]C1 ZINC001236835861 1099823916 /nfs/dbraw/zinc/82/39/16/1099823916.db2.gz QAUPRKMQUCWKIQ-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP CCC[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236842259 1099826930 /nfs/dbraw/zinc/82/69/30/1099826930.db2.gz CZEWKLQWFPTEOB-ZDUSSCGKSA-N 2 1 316.367 3.233 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC(C)C)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843301 1099828254 /nfs/dbraw/zinc/82/82/54/1099828254.db2.gz GVKZXRVBILWUNE-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(C)C)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843301 1099828261 /nfs/dbraw/zinc/82/82/61/1099828261.db2.gz GVKZXRVBILWUNE-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC(F)F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843037 1099828618 /nfs/dbraw/zinc/82/86/18/1099828618.db2.gz KPUVCMJZDAKQIN-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(F)F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843037 1099828632 /nfs/dbraw/zinc/82/86/32/1099828632.db2.gz KPUVCMJZDAKQIN-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236847317 1099831735 /nfs/dbraw/zinc/83/17/35/1099831735.db2.gz JIHIIHVTONSMRR-MSOLQXFVSA-N 2 1 316.445 3.142 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236847317 1099831739 /nfs/dbraw/zinc/83/17/39/1099831739.db2.gz JIHIIHVTONSMRR-MSOLQXFVSA-N 2 1 316.445 3.142 20 0 DGADMP COc1cc(C)c(C)cc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001278022709 1099851295 /nfs/dbraw/zinc/85/12/95/1099851295.db2.gz ZOHJATMKBCVYRD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001278022709 1099851301 /nfs/dbraw/zinc/85/13/01/1099851301.db2.gz ZOHJATMKBCVYRD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001278022709 1099851312 /nfs/dbraw/zinc/85/13/12/1099851312.db2.gz ZOHJATMKBCVYRD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001278022709 1099851320 /nfs/dbraw/zinc/85/13/20/1099851320.db2.gz ZOHJATMKBCVYRD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001278022709 1099851325 /nfs/dbraw/zinc/85/13/25/1099851325.db2.gz ZOHJATMKBCVYRD-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC001236890964 1099853959 /nfs/dbraw/zinc/85/39/59/1099853959.db2.gz USYIKSAHHNGJNR-IRXDYDNUSA-N 2 1 301.478 3.059 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236913088 1099872823 /nfs/dbraw/zinc/87/28/23/1099872823.db2.gz ZWHAQLWSECILFW-MRXNPFEDSA-N 2 1 319.836 3.261 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C[C@]1(C)O ZINC001236913824 1099873910 /nfs/dbraw/zinc/87/39/10/1099873910.db2.gz OSWAUHKKXVSECL-DYVFJYSZSA-N 2 1 319.836 3.119 20 0 DGADMP C[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236913247 1099874261 /nfs/dbraw/zinc/87/42/61/1099874261.db2.gz JODXQQNFAVCSKT-KRWDZBQOSA-N 2 1 319.836 3.263 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236962987 1099894602 /nfs/dbraw/zinc/89/46/02/1099894602.db2.gz GZPXJAAMQMTACE-JKSUJKDBSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236962987 1099894608 /nfs/dbraw/zinc/89/46/08/1099894608.db2.gz GZPXJAAMQMTACE-JKSUJKDBSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236966452 1099895964 /nfs/dbraw/zinc/89/59/64/1099895964.db2.gz HOPYXQSZTJVUBR-IYBDPMFKSA-N 2 1 319.468 3.055 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236966452 1099895977 /nfs/dbraw/zinc/89/59/77/1099895977.db2.gz HOPYXQSZTJVUBR-IYBDPMFKSA-N 2 1 319.468 3.055 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC[C@H]1CCCC[NH2+]1 ZINC001237001547 1099922802 /nfs/dbraw/zinc/92/28/02/1099922802.db2.gz XRHKWGHDIUBEPY-QWFCFKBJSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CNCCO4)cc2)c1 ZINC001237143455 1099992735 /nfs/dbraw/zinc/99/27/35/1099992735.db2.gz RSWKEIUHILMEAS-NRFANRHFSA-N 2 1 322.452 3.226 20 0 DGADMP Cc1cccc(-c2ccc(CN3CC[C@@]4(C3)C[NH2+]CCO4)cc2)c1 ZINC001237143455 1099992747 /nfs/dbraw/zinc/99/27/47/1099992747.db2.gz RSWKEIUHILMEAS-NRFANRHFSA-N 2 1 322.452 3.226 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001237220599 1100035815 /nfs/dbraw/zinc/03/58/15/1100035815.db2.gz SMLFVQQGEUFESR-WOJBJXKFSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001237220599 1100035823 /nfs/dbraw/zinc/03/58/23/1100035823.db2.gz SMLFVQQGEUFESR-WOJBJXKFSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001237220599 1100035832 /nfs/dbraw/zinc/03/58/32/1100035832.db2.gz SMLFVQQGEUFESR-WOJBJXKFSA-N 2 1 321.468 3.223 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC001237231506 1100041670 /nfs/dbraw/zinc/04/16/70/1100041670.db2.gz HTWYOEKGMUBCOI-WBVHZDCISA-N 2 1 307.869 3.443 20 0 DGADMP Cc1cc(F)cc(C)c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001237320383 1100076393 /nfs/dbraw/zinc/07/63/93/1100076393.db2.gz RMVGVOVTGSXSKU-UHFFFAOYSA-N 2 1 319.424 3.073 20 0 DGADMP Fc1cccc(CC[NH+]2CCC3(CC2)NCc2ccccc23)c1 ZINC001237358652 1100092121 /nfs/dbraw/zinc/09/21/21/1100092121.db2.gz HOTVMJLQISJANX-UHFFFAOYSA-N 2 1 310.416 3.463 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccn2n1 ZINC001237541514 1100164758 /nfs/dbraw/zinc/16/47/58/1100164758.db2.gz YEABPKNXYFAHPT-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP c1cc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccn2n1 ZINC001237541514 1100164765 /nfs/dbraw/zinc/16/47/65/1100164765.db2.gz YEABPKNXYFAHPT-GOSISDBHSA-N 2 1 312.461 3.175 20 0 DGADMP C(C[NH+]1CCCCC1)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278154492 1100266458 /nfs/dbraw/zinc/26/64/58/1100266458.db2.gz RHMOXKCFFMUEMO-FQEVSTJZSA-N 2 1 319.537 3.203 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)cc21 ZINC001237877740 1100278553 /nfs/dbraw/zinc/27/85/53/1100278553.db2.gz BNUGHPGJLXJKKN-IEBWSBKVSA-N 2 1 324.468 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](O)CC[C@H]3C)cc21 ZINC001237881493 1100279899 /nfs/dbraw/zinc/27/98/99/1100279899.db2.gz ULWCVUSIINNARQ-RHSMWYFYSA-N 2 1 300.446 3.033 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](CO)CC[C@H]3C)cc21 ZINC001237880760 1100280240 /nfs/dbraw/zinc/28/02/40/1100280240.db2.gz JZLNSINHIGAROI-WBVHZDCISA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cc21 ZINC001237884625 1100282037 /nfs/dbraw/zinc/28/20/37/1100282037.db2.gz CRDAZRXDZHXQFL-IYBDPMFKSA-N 2 1 313.489 3.212 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)c(OCC)c3)C[C@H]2C1 ZINC001238076678 1100352995 /nfs/dbraw/zinc/35/29/95/1100352995.db2.gz PHDQWWJQFMEUIM-QZTJIDSGSA-N 2 1 302.462 3.167 20 0 DGADMP CC[C@@H](C)[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001190865599 1100354970 /nfs/dbraw/zinc/35/49/70/1100354970.db2.gz YLQXGPSGCFTZFF-RTBURBONSA-N 2 1 317.521 3.171 20 0 DGADMP COc1c(C)cnc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001238177624 1100380893 /nfs/dbraw/zinc/38/08/93/1100380893.db2.gz VLRTZPKJZJSDCY-UHFFFAOYSA-N 2 1 319.493 3.259 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238201458 1100390066 /nfs/dbraw/zinc/39/00/66/1100390066.db2.gz YHGRSVALKVGUHW-UHFFFAOYSA-N 2 1 300.450 3.240 20 0 DGADMP CCOc1ccc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001238706680 1100507222 /nfs/dbraw/zinc/50/72/22/1100507222.db2.gz FJTPNACSXUXNBQ-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001238754432 1100521043 /nfs/dbraw/zinc/52/10/43/1100521043.db2.gz IKOYXYDCJHTPHM-KDURUIRLSA-N 2 1 316.489 3.474 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001238754432 1100521045 /nfs/dbraw/zinc/52/10/45/1100521045.db2.gz IKOYXYDCJHTPHM-KDURUIRLSA-N 2 1 316.489 3.474 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001238754432 1100521047 /nfs/dbraw/zinc/52/10/47/1100521047.db2.gz IKOYXYDCJHTPHM-KDURUIRLSA-N 2 1 316.489 3.474 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001238754432 1100521051 /nfs/dbraw/zinc/52/10/51/1100521051.db2.gz IKOYXYDCJHTPHM-KDURUIRLSA-N 2 1 316.489 3.474 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001205578952 1100571303 /nfs/dbraw/zinc/57/13/03/1100571303.db2.gz KPMKGRCUAPPUHN-GFCCVEGCSA-N 2 1 310.360 3.420 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Br)CC[C@H]1C[NH3+] ZINC001205602549 1100627908 /nfs/dbraw/zinc/62/79/08/1100627908.db2.gz JLAKXKRDJMUCSP-STQMWFEESA-N 2 1 311.267 3.256 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cnc2Cl)CC[C@@H]1C[NH3+] ZINC001205615721 1100674700 /nfs/dbraw/zinc/67/47/00/1100674700.db2.gz ABIDEOLLVXDGOL-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2sc(Cl)nc2Cl)CC[C@H]1C[NH3+] ZINC001205626765 1100719620 /nfs/dbraw/zinc/71/96/20/1100719620.db2.gz IXWUCBZKCILQOV-BDAKNGLRSA-N 2 1 308.278 3.257 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2sc(Cl)nc2Cl)CC[C@H]1C[NH3+] ZINC001205626765 1100719624 /nfs/dbraw/zinc/71/96/24/1100719624.db2.gz IXWUCBZKCILQOV-BDAKNGLRSA-N 2 1 308.278 3.257 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3ccccc3C3([NH3+])CC3)c2)CC1 ZINC001240303993 1100933085 /nfs/dbraw/zinc/93/30/85/1100933085.db2.gz RWSKZRGWYCSSSH-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP c1ccc(C[N@H+]2CCC=C(c3ccc4c(n3)C[NH2+]CC4)C2)cc1 ZINC001240385907 1100969539 /nfs/dbraw/zinc/96/95/39/1100969539.db2.gz QGWFKFYSACOUHK-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP Cn1ccc2c1cc[nH+]c2-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240473307 1101011106 /nfs/dbraw/zinc/01/11/06/1101011106.db2.gz IQYHKERBEFAMQJ-UHFFFAOYSA-N 2 1 307.397 3.073 20 0 DGADMP Cc1cc2[nH]ccc2c(-c2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001240474830 1101011810 /nfs/dbraw/zinc/01/18/10/1101011810.db2.gz XTYSHDCDISJIFI-UHFFFAOYSA-N 2 1 307.397 3.371 20 0 DGADMP Cc1[nH+]c(-c2ccc(C[NH+]3CCOCC3)cc2)cc2[nH]ccc21 ZINC001240474453 1101012045 /nfs/dbraw/zinc/01/20/45/1101012045.db2.gz FPAOJSLYTZCNND-UHFFFAOYSA-N 2 1 307.397 3.371 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(OC2CC[NH2+]CC2)cc1 ZINC001241242672 1101313647 /nfs/dbraw/zinc/31/36/47/1101313647.db2.gz IXXPMCNUBDAMGF-UHFFFAOYSA-N 2 1 311.429 3.254 20 0 DGADMP CCOc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1F ZINC001241264351 1101333450 /nfs/dbraw/zinc/33/34/50/1101333450.db2.gz BIXYYIPKOIRTEP-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP C[N@@H+]1CC=C(c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)CC1 ZINC001241326940 1101377249 /nfs/dbraw/zinc/37/72/49/1101377249.db2.gz CGQGCHGXQTVAIG-DAYGRLMNSA-N 2 1 308.429 3.095 20 0 DGADMP C[N@H+]1CC=C(c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)CC1 ZINC001241326940 1101377258 /nfs/dbraw/zinc/37/72/58/1101377258.db2.gz CGQGCHGXQTVAIG-DAYGRLMNSA-N 2 1 308.429 3.095 20 0 DGADMP C[N@@H+]1CC=C(c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)CC1 ZINC001241326940 1101377270 /nfs/dbraw/zinc/37/72/70/1101377270.db2.gz CGQGCHGXQTVAIG-DAYGRLMNSA-N 2 1 308.429 3.095 20 0 DGADMP COCC[N@@H+](C[C@H](C)C1CCCCC1)CC1CC[NH+](C)CC1 ZINC001196781982 1101400180 /nfs/dbraw/zinc/40/01/80/1101400180.db2.gz LWYXBNJQELCGFE-KRWDZBQOSA-N 2 1 310.526 3.493 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCN(C)c1ccccc1 ZINC001197930599 1101702263 /nfs/dbraw/zinc/70/22/63/1101702263.db2.gz RFXCSBITIGBYCK-SFHVURJKSA-N 2 1 324.472 3.119 20 0 DGADMP c1nc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc2s1 ZINC001241867394 1101755978 /nfs/dbraw/zinc/75/59/78/1101755978.db2.gz ZBDPFJGIEROZOW-UHFFFAOYSA-N 2 1 306.394 3.298 20 0 DGADMP CCOC(=[NH2+])c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001241981274 1101825406 /nfs/dbraw/zinc/82/54/06/1101825406.db2.gz QSRBDBOBUJDICA-UHFFFAOYSA-N 2 1 323.440 3.121 20 0 DGADMP Fc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc(F)c1C[NH+]1CCCC1 ZINC001242027951 1101864236 /nfs/dbraw/zinc/86/42/36/1101864236.db2.gz TVIOQAYQQNXHIQ-CABCVRRESA-N 2 1 304.384 3.468 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4cnccc4c3)cn12 ZINC001242243178 1102004360 /nfs/dbraw/zinc/00/43/60/1102004360.db2.gz DZWWGPHSSKSTKD-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1ccc(Oc2cnccn2)cc1 ZINC001199208832 1102083502 /nfs/dbraw/zinc/08/35/02/1102083502.db2.gz UVSKBVHZPLPPQO-UHFFFAOYSA-N 2 1 314.433 3.089 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001199208832 1102083516 /nfs/dbraw/zinc/08/35/16/1102083516.db2.gz UVSKBVHZPLPPQO-UHFFFAOYSA-N 2 1 314.433 3.089 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001199208832 1102083529 /nfs/dbraw/zinc/08/35/29/1102083529.db2.gz UVSKBVHZPLPPQO-UHFFFAOYSA-N 2 1 314.433 3.089 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC001205863224 1102119166 /nfs/dbraw/zinc/11/91/66/1102119166.db2.gz KXULZOLHJLKHAQ-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC001205863224 1102119171 /nfs/dbraw/zinc/11/91/71/1102119171.db2.gz KXULZOLHJLKHAQ-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242677094 1102281642 /nfs/dbraw/zinc/28/16/42/1102281642.db2.gz WYUGXVMVFAJNMA-UHFFFAOYSA-N 2 1 308.425 3.097 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4ccccc4n3)cn12 ZINC001242773783 1102333709 /nfs/dbraw/zinc/33/37/09/1102333709.db2.gz FZRAYFIHJSADSM-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001205901283 1102399867 /nfs/dbraw/zinc/39/98/67/1102399867.db2.gz CHLYFFPRUJCZTC-AAEUAGOBSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901565 1102401178 /nfs/dbraw/zinc/40/11/78/1102401178.db2.gz DFPQWSOHNFCGMT-WDEREUQCSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901565 1102401185 /nfs/dbraw/zinc/40/11/85/1102401185.db2.gz DFPQWSOHNFCGMT-WDEREUQCSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914518 1102525378 /nfs/dbraw/zinc/52/53/78/1102525378.db2.gz MUMIWQHMKAORJZ-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914518 1102525384 /nfs/dbraw/zinc/52/53/84/1102525384.db2.gz MUMIWQHMKAORJZ-PWSUYJOCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915283 1102547902 /nfs/dbraw/zinc/54/79/02/1102547902.db2.gz PAWLPKPQXRCJEN-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001205915283 1102547909 /nfs/dbraw/zinc/54/79/09/1102547909.db2.gz PAWLPKPQXRCJEN-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408891 1102576631 /nfs/dbraw/zinc/57/66/31/1102576631.db2.gz LTNTVSKKOYCNKX-MOPGFXCFSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408891 1102576642 /nfs/dbraw/zinc/57/66/42/1102576642.db2.gz LTNTVSKKOYCNKX-MOPGFXCFSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408891 1102576645 /nfs/dbraw/zinc/57/66/45/1102576645.db2.gz LTNTVSKKOYCNKX-MOPGFXCFSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408891 1102576657 /nfs/dbraw/zinc/57/66/57/1102576657.db2.gz LTNTVSKKOYCNKX-MOPGFXCFSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408894 1102576982 /nfs/dbraw/zinc/57/69/82/1102576982.db2.gz LTNTVSKKOYCNKX-RTBURBONSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408894 1102576991 /nfs/dbraw/zinc/57/69/91/1102576991.db2.gz LTNTVSKKOYCNKX-RTBURBONSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408894 1102576997 /nfs/dbraw/zinc/57/69/97/1102576997.db2.gz LTNTVSKKOYCNKX-RTBURBONSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001201408894 1102577004 /nfs/dbraw/zinc/57/70/04/1102577004.db2.gz LTNTVSKKOYCNKX-RTBURBONSA-N 2 1 306.494 3.166 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434080 1102600228 /nfs/dbraw/zinc/60/02/28/1102600228.db2.gz AUDNJYUBDPNJNH-INIZCTEOSA-N 2 1 320.477 3.381 20 0 DGADMP CC(C)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201471241 1102623411 /nfs/dbraw/zinc/62/34/11/1102623411.db2.gz RJNQRQBZEKGMGN-KRWDZBQOSA-N 2 1 323.431 3.271 20 0 DGADMP CC(C)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201471241 1102623413 /nfs/dbraw/zinc/62/34/13/1102623413.db2.gz RJNQRQBZEKGMGN-KRWDZBQOSA-N 2 1 323.431 3.271 20 0 DGADMP CC(C)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201471241 1102623417 /nfs/dbraw/zinc/62/34/17/1102623417.db2.gz RJNQRQBZEKGMGN-KRWDZBQOSA-N 2 1 323.431 3.271 20 0 DGADMP CC(C)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201471241 1102623419 /nfs/dbraw/zinc/62/34/19/1102623419.db2.gz RJNQRQBZEKGMGN-KRWDZBQOSA-N 2 1 323.431 3.271 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CCc4ccccc4)C[C@H]3C2)c1 ZINC001201597291 1102648641 /nfs/dbraw/zinc/64/86/41/1102648641.db2.gz ULXNRYNUCCQDAP-HDICACEKSA-N 2 1 312.482 3.354 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CCc4ccccc4)C[C@H]3C2)c1 ZINC001201597291 1102648645 /nfs/dbraw/zinc/64/86/45/1102648645.db2.gz ULXNRYNUCCQDAP-HDICACEKSA-N 2 1 312.482 3.354 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CCc4ccccc4)C[C@H]3C2)c1 ZINC001201597291 1102648650 /nfs/dbraw/zinc/64/86/50/1102648650.db2.gz ULXNRYNUCCQDAP-HDICACEKSA-N 2 1 312.482 3.354 20 0 DGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CCc4ccccc4)C[C@H]3C2)c1 ZINC001201597291 1102648652 /nfs/dbraw/zinc/64/86/52/1102648652.db2.gz ULXNRYNUCCQDAP-HDICACEKSA-N 2 1 312.482 3.354 20 0 DGADMP Clc1cc2n[nH]cc2c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001243316097 1102654495 /nfs/dbraw/zinc/65/44/95/1102654495.db2.gz MTELTEJGQSXLJS-UHFFFAOYSA-N 2 1 323.787 3.218 20 0 DGADMP Clc1nccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1Cl ZINC001243414459 1102709041 /nfs/dbraw/zinc/70/90/41/1102709041.db2.gz JQCILKFSZNQICB-UHFFFAOYSA-N 2 1 319.195 3.390 20 0 DGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001202065826 1102809157 /nfs/dbraw/zinc/80/91/57/1102809157.db2.gz WHBTWTAJIIEJEE-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591037 1103157123 /nfs/dbraw/zinc/15/71/23/1103157123.db2.gz PLYZWGWKMKMSNH-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(F)c(F)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591037 1103157125 /nfs/dbraw/zinc/15/71/25/1103157125.db2.gz PLYZWGWKMKMSNH-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]1[NH+](C)C)C2 ZINC001326322818 1103271693 /nfs/dbraw/zinc/27/16/93/1103271693.db2.gz OHKBPLJNYGRXSB-RYQLBKOJSA-N 2 1 302.462 3.015 20 0 DGADMP CC(C)C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001326407800 1103305623 /nfs/dbraw/zinc/30/56/23/1103305623.db2.gz FZJVTZGUBMWBDZ-INIZCTEOSA-N 2 1 317.477 3.103 20 0 DGADMP Cc1cccc(NC[C@@H]2CCCN2Cc2cnc(C3CC3)nc2)n1 ZINC001326785829 1103443724 /nfs/dbraw/zinc/44/37/24/1103443724.db2.gz FZDBFJQKGOYICZ-KRWDZBQOSA-N 2 1 323.444 3.134 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC001327838807 1103484231 /nfs/dbraw/zinc/48/42/31/1103484231.db2.gz DBMNDXCGQBOYEL-NXEZZACHSA-N 2 1 303.219 3.237 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccnc3OC(C)C)(C1)CCC2 ZINC001276316457 1103486051 /nfs/dbraw/zinc/48/60/51/1103486051.db2.gz KWJADFGUUVGWLS-ZWKOTPCHSA-N 2 1 303.450 3.023 20 0 DGADMP Fc1ccc(/C=C/C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001327004847 1103497376 /nfs/dbraw/zinc/49/73/76/1103497376.db2.gz MAZOPWXQEFFHMK-HNQUOIGGSA-N 2 1 306.400 3.444 20 0 DGADMP Fc1cccnc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276341079 1103511301 /nfs/dbraw/zinc/51/13/01/1103511301.db2.gz FCUUXLRCLRUUHP-UHFFFAOYSA-N 2 1 303.425 3.061 20 0 DGADMP Fc1cccnc1C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001276341685 1103512146 /nfs/dbraw/zinc/51/21/46/1103512146.db2.gz RTCIDXZZWGOBES-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP Fc1cccnc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276341685 1103512151 /nfs/dbraw/zinc/51/21/51/1103512151.db2.gz RTCIDXZZWGOBES-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP O=c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347208 1103518498 /nfs/dbraw/zinc/51/84/98/1103518498.db2.gz SSLBPNVNHGARIQ-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347208 1103518505 /nfs/dbraw/zinc/51/85/05/1103518505.db2.gz SSLBPNVNHGARIQ-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347208 1103518513 /nfs/dbraw/zinc/51/85/13/1103518513.db2.gz SSLBPNVNHGARIQ-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP O=c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276347208 1103518517 /nfs/dbraw/zinc/51/85/17/1103518517.db2.gz SSLBPNVNHGARIQ-LJQANCHMSA-N 2 1 315.461 3.018 20 0 DGADMP c1[nH+]c(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)n2ccccc12 ZINC001276348396 1103520611 /nfs/dbraw/zinc/52/06/11/1103520611.db2.gz MRFJXZIFSOJLHR-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000097899265 1103555501 /nfs/dbraw/zinc/55/55/01/1103555501.db2.gz DTOYTLSMRDPHTI-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000097899265 1103555510 /nfs/dbraw/zinc/55/55/10/1103555510.db2.gz DTOYTLSMRDPHTI-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490459224 1103634405 /nfs/dbraw/zinc/63/44/05/1103634405.db2.gz ZFJXIPHSVIEHII-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1 ZINC001327488070 1103658126 /nfs/dbraw/zinc/65/81/26/1103658126.db2.gz ANUFBVSTOJQHEK-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622341 1103663570 /nfs/dbraw/zinc/66/35/70/1103663570.db2.gz AJJMRVUYKUIJDO-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202528415 1103918824 /nfs/dbraw/zinc/91/88/24/1103918824.db2.gz DEKUMIDLIJPPHF-MRXNPFEDSA-N 2 1 322.880 3.273 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202528415 1103918832 /nfs/dbraw/zinc/91/88/32/1103918832.db2.gz DEKUMIDLIJPPHF-MRXNPFEDSA-N 2 1 322.880 3.273 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4cc(C)ccc4n3)C[C@@H]2C1 ZINC001137218894 1104160517 /nfs/dbraw/zinc/16/05/17/1104160517.db2.gz QFAIXRLPMGHSDC-ROUUACIJSA-N 2 1 309.457 3.317 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137233439 1104187855 /nfs/dbraw/zinc/18/78/55/1104187855.db2.gz DWQRAQHFKQVKKM-UHFFFAOYSA-N 2 1 316.836 3.177 20 0 DGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001202740142 1104198121 /nfs/dbraw/zinc/19/81/21/1104198121.db2.gz SYLNLXDGKGOTRX-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC001202740142 1104198126 /nfs/dbraw/zinc/19/81/26/1104198126.db2.gz SYLNLXDGKGOTRX-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC001202740142 1104198130 /nfs/dbraw/zinc/19/81/30/1104198130.db2.gz SYLNLXDGKGOTRX-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001202740142 1104198134 /nfs/dbraw/zinc/19/81/34/1104198134.db2.gz SYLNLXDGKGOTRX-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001202740142 1104198137 /nfs/dbraw/zinc/19/81/37/1104198137.db2.gz SYLNLXDGKGOTRX-MISYRCLQSA-N 2 1 313.489 3.414 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001329490411 1104284122 /nfs/dbraw/zinc/28/41/22/1104284122.db2.gz KUOBJJQYWJRAMF-UHFFFAOYSA-N 2 1 302.462 3.148 20 0 DGADMP CCCC[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246009261 1104352365 /nfs/dbraw/zinc/35/23/65/1104352365.db2.gz XLCDQBJAVABBBV-INIZCTEOSA-N 2 1 310.869 3.059 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC001246076725 1104371787 /nfs/dbraw/zinc/37/17/87/1104371787.db2.gz NWTYMXBTBUWHIE-LLVKDONJSA-N 2 1 315.230 3.208 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC001246076726 1104372288 /nfs/dbraw/zinc/37/22/88/1104372288.db2.gz NWTYMXBTBUWHIE-NSHDSACASA-N 2 1 315.230 3.208 20 0 DGADMP F[C@]1(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107251 1104387562 /nfs/dbraw/zinc/38/75/62/1104387562.db2.gz FQQUANAQNMVCOS-WMLDXEAASA-N 2 1 310.844 3.269 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246129631 1104400354 /nfs/dbraw/zinc/40/03/54/1104400354.db2.gz GTWHIEIZEBWPKV-BMIGLBTASA-N 2 1 314.807 3.281 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246155432 1104410144 /nfs/dbraw/zinc/41/01/44/1104410144.db2.gz YCHDJGPBXCVWEB-GEALJGNFSA-N 2 1 310.441 3.191 20 0 DGADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCCC[C@@]34C[NH2+]CCO4)C2)cc1 ZINC001246162444 1104411212 /nfs/dbraw/zinc/41/12/12/1104411212.db2.gz YEZLEWNQDQRNDG-YSTOQKLRSA-N 2 1 314.473 3.214 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246163558 1104413060 /nfs/dbraw/zinc/41/30/60/1104413060.db2.gz ZHZZZRRFTZIHPP-RBUKOAKNSA-N 2 1 303.494 3.191 20 0 DGADMP CC1(C)C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246167499 1104414843 /nfs/dbraw/zinc/41/48/43/1104414843.db2.gz FUEVVOVWOVWVNT-MOPGFXCFSA-N 2 1 315.505 3.161 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246167288 1104415161 /nfs/dbraw/zinc/41/51/61/1104415161.db2.gz ZBGWHNCQVQKDLK-MYZZLAAOSA-N 3 1 319.468 3.034 20 0 DGADMP CC1(C)C[C@H](NC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246167684 1104415642 /nfs/dbraw/zinc/41/56/42/1104415642.db2.gz FUEVVOVWOVWVNT-RTBURBONSA-N 2 1 315.505 3.161 20 0 DGADMP CC(C)[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178283 1104424081 /nfs/dbraw/zinc/42/40/81/1104424081.db2.gz WOFJNYSGZSLRJJ-ZCNNSNEGSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246178283 1104424088 /nfs/dbraw/zinc/42/40/88/1104424088.db2.gz WOFJNYSGZSLRJJ-ZCNNSNEGSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC001246192804 1104432144 /nfs/dbraw/zinc/43/21/44/1104432144.db2.gz CBUPIUFBCVRMED-WQVCFCJDSA-N 2 1 306.425 3.406 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246208012 1104437112 /nfs/dbraw/zinc/43/71/12/1104437112.db2.gz ZUIOQEKUVHDEIA-QQXMDYFESA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246208012 1104437116 /nfs/dbraw/zinc/43/71/16/1104437116.db2.gz ZUIOQEKUVHDEIA-QQXMDYFESA-N 3 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246208012 1104437120 /nfs/dbraw/zinc/43/71/20/1104437120.db2.gz ZUIOQEKUVHDEIA-QQXMDYFESA-N 3 1 315.505 3.288 20 0 DGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207384 1104437436 /nfs/dbraw/zinc/43/74/36/1104437436.db2.gz PSEWQYKXTKBDHS-XHSDSOJGSA-N 2 1 314.514 3.486 20 0 DGADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)(F)F ZINC001246218552 1104441699 /nfs/dbraw/zinc/44/16/99/1104441699.db2.gz BEHCTXNQXOWXQU-FOSCPWQOSA-N 2 1 318.314 3.097 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246220062 1104442982 /nfs/dbraw/zinc/44/29/82/1104442982.db2.gz CKCWOLJUAREDAZ-RUENVJTFSA-N 3 1 319.468 3.034 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2c(OC)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246220032 1104443229 /nfs/dbraw/zinc/44/32/29/1104443229.db2.gz ITWGWHHYNPVCOH-NWDGAFQWSA-N 2 1 316.367 3.334 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]CC1(F)F ZINC001246223009 1104445252 /nfs/dbraw/zinc/44/52/52/1104445252.db2.gz UGKNEAKWPWLOHA-GJZGRUSLSA-N 2 1 314.807 3.032 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246226486 1104447876 /nfs/dbraw/zinc/44/78/76/1104447876.db2.gz QVZLWLBEOJDTAP-CHWSQXEVSA-N 2 1 304.331 3.465 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)cc1C(F)(F)F ZINC001246237008 1104452715 /nfs/dbraw/zinc/45/27/15/1104452715.db2.gz WASJDIWYGJFWFQ-GHMZBOCLSA-N 2 1 316.367 3.333 20 0 DGADMP C[C@@H]1C[C@H](NCC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243996 1104455338 /nfs/dbraw/zinc/45/53/38/1104455338.db2.gz JNQLOSRBZWSFDF-YZGWKJHDSA-N 2 1 315.505 3.161 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC001246259643 1104462435 /nfs/dbraw/zinc/46/24/35/1104462435.db2.gz CBUPIUFBCVRMED-APHBMKBZSA-N 2 1 306.425 3.406 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001246263214 1104464510 /nfs/dbraw/zinc/46/45/10/1104464510.db2.gz CDFXCCJUICDDJQ-RBUKOAKNSA-N 2 1 314.860 3.357 20 0 DGADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246269127 1104467925 /nfs/dbraw/zinc/46/79/25/1104467925.db2.gz KYRYAMAKAQEXJY-CYBMUJFWSA-N 2 1 301.261 3.440 20 0 DGADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246274950 1104469109 /nfs/dbraw/zinc/46/91/09/1104469109.db2.gz XITXBNTVHXTKOG-PIKOESSRSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246274950 1104469120 /nfs/dbraw/zinc/46/91/20/1104469120.db2.gz XITXBNTVHXTKOG-PIKOESSRSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246274950 1104469125 /nfs/dbraw/zinc/46/91/25/1104469125.db2.gz XITXBNTVHXTKOG-PIKOESSRSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246285079 1104474304 /nfs/dbraw/zinc/47/43/04/1104474304.db2.gz DAIMKHFNFPZMGF-LBPRGKRZSA-N 2 1 300.368 3.498 20 0 DGADMP CCOC(=O)[C@H](CC1CCC1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246286433 1104474325 /nfs/dbraw/zinc/47/43/25/1104474325.db2.gz MANGRRLSJROJES-HFCFLWKCSA-N 2 1 322.493 3.010 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1(C)C ZINC001246291946 1104475953 /nfs/dbraw/zinc/47/59/53/1104475953.db2.gz VPALIJGYTIPNRH-GOEBONIOSA-N 3 1 309.542 3.394 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246294139 1104476982 /nfs/dbraw/zinc/47/69/82/1104476982.db2.gz LXYIADZSWGFFSI-RVKKMQEKSA-N 2 1 310.482 3.009 20 0 DGADMP CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300362 1104478563 /nfs/dbraw/zinc/47/85/63/1104478563.db2.gz RFMSAUMFPMZQQH-YRPNKDGESA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300362 1104478569 /nfs/dbraw/zinc/47/85/69/1104478569.db2.gz RFMSAUMFPMZQQH-YRPNKDGESA-N 2 1 315.505 3.160 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1)Cc1ccccc1 ZINC001246300269 1104479367 /nfs/dbraw/zinc/47/93/67/1104479367.db2.gz PEZBDTSBKCIGMR-RBUKOAKNSA-N 2 1 314.860 3.357 20 0 DGADMP CC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246318125 1104485327 /nfs/dbraw/zinc/48/53/27/1104485327.db2.gz QOGJFIHTRNEEKB-KDOFPFPSSA-N 2 1 300.446 3.496 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)ccc1F ZINC001246315267 1104486136 /nfs/dbraw/zinc/48/61/36/1104486136.db2.gz CHYSBNPNUUKBRL-HNNXBMFYSA-N 2 1 306.425 3.379 20 0 DGADMP CC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246318124 1104486270 /nfs/dbraw/zinc/48/62/70/1104486270.db2.gz QOGJFIHTRNEEKB-KBXCAEBGSA-N 2 1 300.446 3.496 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246323978 1104489563 /nfs/dbraw/zinc/48/95/63/1104489563.db2.gz GNHJPPIAFVUSFB-NZSAHSFTSA-N 2 1 315.505 3.160 20 0 DGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001246332698 1104496555 /nfs/dbraw/zinc/49/65/55/1104496555.db2.gz SLBKGNCGSPYFLZ-CTWPCTMYSA-N 2 1 316.489 3.492 20 0 DGADMP C[C@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC001246338994 1104497214 /nfs/dbraw/zinc/49/72/14/1104497214.db2.gz HNCGSQVYEJEOKF-FFGOWVMKSA-N 2 1 313.489 3.043 20 0 DGADMP C[C@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@H+]1Cc1ccccc1 ZINC001246338994 1104497220 /nfs/dbraw/zinc/49/72/20/1104497220.db2.gz HNCGSQVYEJEOKF-FFGOWVMKSA-N 2 1 313.489 3.043 20 0 DGADMP COc1cc(Cl)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC ZINC001246350049 1104502796 /nfs/dbraw/zinc/50/27/96/1104502796.db2.gz JRTHLULWNGJUDY-RAQOOLMWSA-N 2 1 324.852 3.291 20 0 DGADMP COc1cc(Cl)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC ZINC001246350048 1104502881 /nfs/dbraw/zinc/50/28/81/1104502881.db2.gz JRTHLULWNGJUDY-BKQLOGFTSA-N 2 1 324.852 3.291 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358602 1104505637 /nfs/dbraw/zinc/50/56/37/1104505637.db2.gz FUTVILRTNWOXGX-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246360703 1104508183 /nfs/dbraw/zinc/50/81/83/1104508183.db2.gz ILAXXJYSUMPLRJ-OKZBNKHCSA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246360707 1104508355 /nfs/dbraw/zinc/50/83/55/1104508355.db2.gz IMQPBTLVFSJSKU-CEXWTWQISA-N 2 1 307.526 3.007 20 0 DGADMP CCCC[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246359815 1104508431 /nfs/dbraw/zinc/50/84/31/1104508431.db2.gz CYQBGJVWQXTORH-FHWLQOOXSA-N 2 1 307.526 3.151 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246364145 1104509167 /nfs/dbraw/zinc/50/91/67/1104509167.db2.gz SRQMLSSWQWDLKG-IRXDYDNUSA-N 2 1 307.526 3.294 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+]C2C[C@H](CC)[NH2+][C@@H](CC)C2)cc1 ZINC001246364702 1104509384 /nfs/dbraw/zinc/50/93/84/1104509384.db2.gz TUEAQMFRNITNKZ-IRXDYDNUSA-N 2 1 318.461 3.262 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246364122 1104509945 /nfs/dbraw/zinc/50/99/45/1104509945.db2.gz SNQFXHHAIZFLBO-IBGZPJMESA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246364122 1104509955 /nfs/dbraw/zinc/50/99/55/1104509955.db2.gz SNQFXHHAIZFLBO-IBGZPJMESA-N 3 1 319.537 3.153 20 0 DGADMP FC1(F)CCC(C[NH2+][C@H]2CCC[NH2+]C2)(Cc2ccncc2)CC1 ZINC001246382634 1104517794 /nfs/dbraw/zinc/51/77/94/1104517794.db2.gz FTKBAPFMRRXLBD-INIZCTEOSA-N 2 1 323.431 3.161 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2OC)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246394153 1104523954 /nfs/dbraw/zinc/52/39/54/1104523954.db2.gz MASJRFJTSUQKPE-MUQADHOPSA-N 2 1 317.477 3.440 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246396324 1104525503 /nfs/dbraw/zinc/52/55/03/1104525503.db2.gz YKQXZWGFOCQJEF-CABCVRRESA-N 2 1 322.880 3.118 20 0 DGADMP C[C@H]1CC[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396031 1104526167 /nfs/dbraw/zinc/52/61/67/1104526167.db2.gz AOABLKFTMIHZTI-UDTPNQRGSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1CC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396031 1104526174 /nfs/dbraw/zinc/52/61/74/1104526174.db2.gz AOABLKFTMIHZTI-UDTPNQRGSA-N 3 1 319.468 3.038 20 0 DGADMP CCCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246404213 1104529382 /nfs/dbraw/zinc/52/93/82/1104529382.db2.gz FOHGZWMABWWYRH-MSOLQXFVSA-N 2 1 320.477 3.396 20 0 DGADMP CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246405640 1104529956 /nfs/dbraw/zinc/52/99/56/1104529956.db2.gz MXAJBWVRGUYWKS-UFYCRDLUSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC001246405640 1104529963 /nfs/dbraw/zinc/52/99/63/1104529963.db2.gz MXAJBWVRGUYWKS-UFYCRDLUSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246415083 1104532448 /nfs/dbraw/zinc/53/24/48/1104532448.db2.gz XNMBKWNUTBKSNH-QZTJIDSGSA-N 2 1 304.478 3.000 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccc2C(F)(F)F)C[NH2+]1 ZINC001246429635 1104535615 /nfs/dbraw/zinc/53/56/15/1104535615.db2.gz CAYZNGAISNQDCT-YPMHNXCESA-N 2 1 300.368 3.367 20 0 DGADMP C1=CO[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)CC1 ZINC001274899353 1104536380 /nfs/dbraw/zinc/53/63/80/1104536380.db2.gz IEHKVZSVDLHPJZ-SCTDSRPQSA-N 2 1 304.478 3.266 20 0 DGADMP C1=CO[C@H](C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)CC1 ZINC001274899353 1104536389 /nfs/dbraw/zinc/53/63/89/1104536389.db2.gz IEHKVZSVDLHPJZ-SCTDSRPQSA-N 2 1 304.478 3.266 20 0 DGADMP C1=CO[C@H](C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)CC1 ZINC001274899353 1104536399 /nfs/dbraw/zinc/53/63/99/1104536399.db2.gz IEHKVZSVDLHPJZ-SCTDSRPQSA-N 2 1 304.478 3.266 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246436843 1104537958 /nfs/dbraw/zinc/53/79/58/1104537958.db2.gz AYPHVDRDDVIFBJ-YOEHRIQHSA-N 2 1 322.880 3.162 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246433534 1104538314 /nfs/dbraw/zinc/53/83/14/1104538314.db2.gz LBKNHFAROQEVLT-RISCZKNCSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246433535 1104538527 /nfs/dbraw/zinc/53/85/27/1104538527.db2.gz LBKNHFAROQEVLT-SMDDNHRTSA-N 2 1 300.368 3.367 20 0 DGADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)Cc1ccccc1C(F)(F)F ZINC001246431484 1104538743 /nfs/dbraw/zinc/53/87/43/1104538743.db2.gz JKTLVYNBQSGSRR-ZDUSSCGKSA-N 2 1 300.368 3.226 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246439663 1104539580 /nfs/dbraw/zinc/53/95/80/1104539580.db2.gz PMXJQUXYLXFQRP-HOCLYGCPSA-N 2 1 322.880 3.162 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246437220 1104539830 /nfs/dbraw/zinc/53/98/30/1104539830.db2.gz UBKATNIYDJCWCZ-DOTOQJQBSA-N 2 1 302.462 3.138 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246443432 1104542638 /nfs/dbraw/zinc/54/26/38/1104542638.db2.gz TXILGVRNUSYLPF-PVTCGPCQSA-N 3 1 305.510 3.032 20 0 DGADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@H](C)NC2)cc1 ZINC001246451215 1104543771 /nfs/dbraw/zinc/54/37/71/1104543771.db2.gz ZJEAADJOVONBBE-FRYIKTPZSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@H](C)NC2)cc1 ZINC001246451215 1104543777 /nfs/dbraw/zinc/54/37/77/1104543777.db2.gz ZJEAADJOVONBBE-FRYIKTPZSA-N 2 1 315.505 3.207 20 0 DGADMP CC[C@]1(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC001246457206 1104545680 /nfs/dbraw/zinc/54/56/80/1104545680.db2.gz DDQNCXSZJOOBLO-HNJRGHQBSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@]1([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC[NH2+]C1 ZINC001246457904 1104547313 /nfs/dbraw/zinc/54/73/13/1104547313.db2.gz FPJDAUSEYBIXHR-HZPDHXFCSA-N 2 1 323.278 3.038 20 0 DGADMP CC[C@]1([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460755 1104547333 /nfs/dbraw/zinc/54/73/33/1104547333.db2.gz MYKPMOSRDNZXRU-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP CCOC(=O)CC[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274933957 1104547912 /nfs/dbraw/zinc/54/79/12/1104547912.db2.gz QBVGQACBXVLTDQ-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274933957 1104547918 /nfs/dbraw/zinc/54/79/18/1104547918.db2.gz QBVGQACBXVLTDQ-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001274933957 1104547923 /nfs/dbraw/zinc/54/79/23/1104547923.db2.gz QBVGQACBXVLTDQ-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP CCOC(=O)CC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001274933957 1104547928 /nfs/dbraw/zinc/54/79/28/1104547928.db2.gz QBVGQACBXVLTDQ-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CC2 ZINC001246502023 1104567883 /nfs/dbraw/zinc/56/78/83/1104567883.db2.gz CRISJMYYKMLOGK-STQMWFEESA-N 2 1 310.869 3.169 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246508768 1104570237 /nfs/dbraw/zinc/57/02/37/1104570237.db2.gz CGAKFLQZJYAMMX-XDNAFOTISA-N 3 1 307.526 3.340 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246507849 1104570496 /nfs/dbraw/zinc/57/04/96/1104570496.db2.gz ZQLLPCAAQXDIBD-MOPGFXCFSA-N 2 1 303.494 3.004 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH+]3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246519000 1104573803 /nfs/dbraw/zinc/57/38/03/1104573803.db2.gz KWCMAHAOSHXVOH-RTWAWAEBSA-N 2 1 321.468 3.302 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246522036 1104576022 /nfs/dbraw/zinc/57/60/22/1104576022.db2.gz HMUZZOWCTNJPRZ-GOSISDBHSA-N 2 1 302.437 3.149 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246522596 1104578471 /nfs/dbraw/zinc/57/84/71/1104578471.db2.gz APRCVUBINFOFQA-RUYXUALKSA-N 2 1 315.505 3.426 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001246530743 1104580008 /nfs/dbraw/zinc/58/00/08/1104580008.db2.gz AYGOHKHOOFCBFP-MRXNPFEDSA-N 2 1 321.896 3.301 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246533743 1104580314 /nfs/dbraw/zinc/58/03/14/1104580314.db2.gz NZGTWKGNFGNFRP-FVQHAEBGSA-N 2 1 319.880 3.053 20 0 DGADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccc(C)cc3)CC2)CC[NH2+]1 ZINC001246529449 1104580336 /nfs/dbraw/zinc/58/03/36/1104580336.db2.gz LIETWPURBIWTSJ-AZUAARDMSA-N 2 1 315.505 3.428 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCC([NH2+]C)CC1 ZINC001246533715 1104580522 /nfs/dbraw/zinc/58/05/22/1104580522.db2.gz GKWRYKVAPAYPHE-FAEJEUNOSA-N 2 1 304.478 3.479 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc(F)c3F)C[C@H]2CC1 ZINC001275024214 1104581147 /nfs/dbraw/zinc/58/11/47/1104581147.db2.gz TWKWYPKAAUPTFV-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc(F)c3F)C[C@H]2CC1 ZINC001275024214 1104581158 /nfs/dbraw/zinc/58/11/58/1104581158.db2.gz TWKWYPKAAUPTFV-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(C)c3)CC2)CC[NH2+]1 ZINC001246536167 1104581589 /nfs/dbraw/zinc/58/15/89/1104581589.db2.gz CIVIKQACYLNJIQ-UYAOXDASSA-N 2 1 315.505 3.428 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3cccc(C)c3)CC2)CC[NH2+]1 ZINC001246536165 1104582008 /nfs/dbraw/zinc/58/20/08/1104582008.db2.gz CIVIKQACYLNJIQ-ICSRJNTNSA-N 2 1 315.505 3.428 20 0 DGADMP CC1(C)C[C@@H](N2CCC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541062 1104585111 /nfs/dbraw/zinc/58/51/11/1104585111.db2.gz LMEKPVSWBGGTNB-OALUTQOASA-N 2 1 315.505 3.243 20 0 DGADMP CC1(C)C[C@H](N2CCC[C@@](C)([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246541074 1104585766 /nfs/dbraw/zinc/58/57/66/1104585766.db2.gz NQSOXERHSACOSY-UYAOXDASSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001246547403 1104588810 /nfs/dbraw/zinc/58/88/10/1104588810.db2.gz CVYSSQMMUATYTB-CVEARBPZSA-N 2 1 323.278 3.120 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246547251 1104589068 /nfs/dbraw/zinc/58/90/68/1104589068.db2.gz HOGBVMAVVRFIIY-WDSOQIARSA-N 2 1 320.452 3.164 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246547251 1104589074 /nfs/dbraw/zinc/58/90/74/1104589074.db2.gz HOGBVMAVVRFIIY-WDSOQIARSA-N 2 1 320.452 3.164 20 0 DGADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001275038220 1104589236 /nfs/dbraw/zinc/58/92/36/1104589236.db2.gz AUOKNDKJFDRPPN-FQEVSTJZSA-N 2 1 321.553 3.306 20 0 DGADMP COc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246549655 1104589533 /nfs/dbraw/zinc/58/95/33/1104589533.db2.gz HPXSCTPYKFPPIU-SJLPKXTDSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246549655 1104589541 /nfs/dbraw/zinc/58/95/41/1104589541.db2.gz HPXSCTPYKFPPIU-SJLPKXTDSA-N 2 1 302.462 3.220 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCN1 ZINC001246551040 1104590437 /nfs/dbraw/zinc/59/04/37/1104590437.db2.gz KAPHXLJOCKOYLZ-NZSAHSFTSA-N 2 1 319.468 3.131 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCN1 ZINC001246551040 1104590443 /nfs/dbraw/zinc/59/04/43/1104590443.db2.gz KAPHXLJOCKOYLZ-NZSAHSFTSA-N 2 1 319.468 3.131 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@](C)([NH3+])CC1)CC2 ZINC001246553001 1104590674 /nfs/dbraw/zinc/59/06/74/1104590674.db2.gz QMWJOTGBTOQGRN-ACJLOTCBSA-N 2 1 322.880 3.409 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549910 1104591021 /nfs/dbraw/zinc/59/10/21/1104591021.db2.gz ICRZIMZBNYEYQS-ZWKOTPCHSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549910 1104591029 /nfs/dbraw/zinc/59/10/29/1104591029.db2.gz ICRZIMZBNYEYQS-ZWKOTPCHSA-N 2 1 302.462 3.364 20 0 DGADMP CC[C@@H]1CC([N@@H+]2CCc3ccc(OC)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246549622 1104591458 /nfs/dbraw/zinc/59/14/58/1104591458.db2.gz HNSMPHQECLEYME-IAGOWNOFSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCc3ccc(OC)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246549622 1104591467 /nfs/dbraw/zinc/59/14/67/1104591467.db2.gz HNSMPHQECLEYME-IAGOWNOFSA-N 2 1 302.462 3.363 20 0 DGADMP Oc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001275046870 1104592262 /nfs/dbraw/zinc/59/22/62/1104592262.db2.gz GPPWEMFMRIWFER-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246555076 1104592320 /nfs/dbraw/zinc/59/23/20/1104592320.db2.gz BLNYHRLTZLKYPE-UONOGXRCSA-N 2 1 314.445 3.392 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246555076 1104592328 /nfs/dbraw/zinc/59/23/28/1104592328.db2.gz BLNYHRLTZLKYPE-UONOGXRCSA-N 2 1 314.445 3.392 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001246556287 1104592751 /nfs/dbraw/zinc/59/27/51/1104592751.db2.gz YVVYDINCAMZBIM-YVEFUNNKSA-N 2 1 312.379 3.165 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001246555426 1104592915 /nfs/dbraw/zinc/59/29/15/1104592915.db2.gz FCQUAOGNMVUCHB-OWYHZJEWSA-N 2 1 302.462 3.214 20 0 DGADMP CC(C)C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275055085 1104594131 /nfs/dbraw/zinc/59/41/31/1104594131.db2.gz SYDYKGBFYGZLTB-UHFFFAOYSA-N 2 1 317.477 3.121 20 0 DGADMP CC(C)(C)C[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275050477 1104594992 /nfs/dbraw/zinc/59/49/92/1104594992.db2.gz GEUINLZYRNLGIG-UHFFFAOYSA-N 2 1 318.509 3.107 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246560317 1104595763 /nfs/dbraw/zinc/59/57/63/1104595763.db2.gz CLKUWLLDKVULCD-CABCVRRESA-N 2 1 321.896 3.368 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC[C@@H]1C[NH3+] ZINC001246558072 1104595896 /nfs/dbraw/zinc/59/58/96/1104595896.db2.gz MAUIDBLLLZAVKG-XJKCOSOUSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CC[C@H]1C[NH3+] ZINC001246558143 1104596059 /nfs/dbraw/zinc/59/60/59/1104596059.db2.gz MFXNCVXNGJXUOZ-CVEARBPZSA-N 2 1 324.509 3.005 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246564183 1104597110 /nfs/dbraw/zinc/59/71/10/1104597110.db2.gz WLAFSOMWNKKJNF-RYUDHWBXSA-N 2 1 318.408 3.222 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246564183 1104597112 /nfs/dbraw/zinc/59/71/12/1104597112.db2.gz WLAFSOMWNKKJNF-RYUDHWBXSA-N 2 1 318.408 3.222 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246564185 1104597474 /nfs/dbraw/zinc/59/74/74/1104597474.db2.gz WLAFSOMWNKKJNF-VXGBXAGGSA-N 2 1 318.408 3.222 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246564185 1104597484 /nfs/dbraw/zinc/59/74/84/1104597484.db2.gz WLAFSOMWNKKJNF-VXGBXAGGSA-N 2 1 318.408 3.222 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC[C@@H]1C[NH3+] ZINC001246563447 1104598382 /nfs/dbraw/zinc/59/83/82/1104598382.db2.gz WYUFXVJFDABABQ-XNRPHZJLSA-N 2 1 308.416 3.129 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001246563576 1104598437 /nfs/dbraw/zinc/59/84/37/1104598437.db2.gz XHMGTMHKFOKOPZ-SOLBZPMBSA-N 2 1 304.478 3.323 20 0 DGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275058416 1104598850 /nfs/dbraw/zinc/59/88/50/1104598850.db2.gz SBGUTQCQOFCSGC-LJQANCHMSA-N 2 1 321.553 3.328 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246569087 1104600127 /nfs/dbraw/zinc/60/01/27/1104600127.db2.gz PUSUAQFLXAWQIE-DJIMGWMZSA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CN1Cc1ccccc1 ZINC001246572052 1104600214 /nfs/dbraw/zinc/60/02/14/1104600214.db2.gz CVMVJYIKTGNBGV-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001246573114 1104601944 /nfs/dbraw/zinc/60/19/44/1104601944.db2.gz GEHVNHSDTIAESF-VQIMIIECSA-N 2 1 304.478 3.467 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001246579982 1104604359 /nfs/dbraw/zinc/60/43/59/1104604359.db2.gz DTMSPVINNLLDHD-YPMHNXCESA-N 2 1 312.379 3.022 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246581829 1104604970 /nfs/dbraw/zinc/60/49/70/1104604970.db2.gz AYRFQDNAVXOZAA-DLBZAZTESA-N 2 1 312.498 3.351 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@](C)(C[NH3+])C1)C2 ZINC001246583337 1104606675 /nfs/dbraw/zinc/60/66/75/1104606675.db2.gz JRKKDCYCZABITH-LPHOPBHVSA-N 2 1 302.462 3.003 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001246585998 1104606745 /nfs/dbraw/zinc/60/67/45/1104606745.db2.gz ZQZQIGCPIMJKPX-MUYFXNHWSA-N 2 1 302.462 3.437 20 0 DGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275073622 1104608874 /nfs/dbraw/zinc/60/88/74/1104608874.db2.gz YAEJLJHQWKRPGW-IBGZPJMESA-N 2 1 309.542 3.162 20 0 DGADMP CCC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275074386 1104610009 /nfs/dbraw/zinc/61/00/09/1104610009.db2.gz RXCUWMGNODZWCR-RBUKOAKNSA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275074386 1104610016 /nfs/dbraw/zinc/61/00/16/1104610016.db2.gz RXCUWMGNODZWCR-RBUKOAKNSA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275074386 1104610022 /nfs/dbraw/zinc/61/00/22/1104610022.db2.gz RXCUWMGNODZWCR-RBUKOAKNSA-N 2 1 318.509 3.107 20 0 DGADMP c1ccc([C@@H]2C[NH2+]CCN2[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246594637 1104611677 /nfs/dbraw/zinc/61/16/77/1104611677.db2.gz QAKGCXPHLZHENZ-PMACEKPBSA-N 2 1 313.489 3.040 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001246595635 1104612287 /nfs/dbraw/zinc/61/22/87/1104612287.db2.gz UFPKAIMTXNYOIZ-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001246595635 1104612301 /nfs/dbraw/zinc/61/23/01/1104612301.db2.gz UFPKAIMTXNYOIZ-IEBWSBKVSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001275077141 1104613624 /nfs/dbraw/zinc/61/36/24/1104613624.db2.gz NMWUBQZYBFXXGC-GOSISDBHSA-N 2 1 309.542 3.162 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001246597598 1104613697 /nfs/dbraw/zinc/61/36/97/1104613697.db2.gz XRTBLXMVQLUJDP-CRAIPNDOSA-N 2 1 308.416 3.273 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246595933 1104615015 /nfs/dbraw/zinc/61/50/15/1104615015.db2.gz UHBAISLBXWGFRW-RJYAGPCLSA-N 2 1 324.509 3.338 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](CC)C[C@@H](C)CC)CC[NH2+]CC2 ZINC001246599521 1104616143 /nfs/dbraw/zinc/61/61/43/1104616143.db2.gz DQWOFJYCFOUTBB-BBWFWOEESA-N 2 1 324.509 3.208 20 0 DGADMP C[NH2+]CC1C[NH+]([C@@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001246601452 1104617728 /nfs/dbraw/zinc/61/77/28/1104617728.db2.gz TZHDRRQKCYKIRB-NSHDSACASA-N 2 1 301.261 3.466 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)C2 ZINC001246600839 1104617952 /nfs/dbraw/zinc/61/79/52/1104617952.db2.gz DWGQDBBNQAHRLD-YJBOKZPZSA-N 2 1 304.865 3.273 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600357 1104618898 /nfs/dbraw/zinc/61/88/98/1104618898.db2.gz FQDZRCUTBIXDJH-MJGOQNOKSA-N 2 1 324.509 3.353 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](C)CCC=C(C)C)CC[NH2+]CC2 ZINC001246603917 1104619661 /nfs/dbraw/zinc/61/96/61/1104619661.db2.gz PFOWUYKAMRCXSM-SJORKVTESA-N 2 1 322.493 3.129 20 0 DGADMP CCCC[C@H](CCC)[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246605605 1104621769 /nfs/dbraw/zinc/62/17/69/1104621769.db2.gz VMHPXNPXNXCIJQ-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246604783 1104621910 /nfs/dbraw/zinc/62/19/10/1104621910.db2.gz IVRIMYHDEOKGTJ-VQIMIIECSA-N 2 1 320.427 3.430 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246605542 1104622179 /nfs/dbraw/zinc/62/21/79/1104622179.db2.gz POBJLJWZGZJNIF-PKOBYXMFSA-N 2 1 324.509 3.354 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246606109 1104622511 /nfs/dbraw/zinc/62/25/11/1104622511.db2.gz LXZWPPXBTWOPPP-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP FC(F)(F)c1coc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001330698599 1104623199 /nfs/dbraw/zinc/62/31/99/1104623199.db2.gz RYSZAROKGNUPRF-UHFFFAOYSA-N 2 1 302.340 3.264 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609259 1104624069 /nfs/dbraw/zinc/62/40/69/1104624069.db2.gz MBRUSPBLEWULDM-HKUYNNGSSA-N 2 1 301.478 3.258 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246607836 1104624314 /nfs/dbraw/zinc/62/43/14/1104624314.db2.gz FYCQYMRLBBEVGT-OALUTQOASA-N 2 1 302.437 3.149 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246607428 1104624653 /nfs/dbraw/zinc/62/46/53/1104624653.db2.gz DRMOIQVJFJDIST-QGZVFWFLSA-N 2 1 304.865 3.415 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607801 1104624932 /nfs/dbraw/zinc/62/49/32/1104624932.db2.gz FUEGAGBOGBXDSW-QFBILLFUSA-N 2 1 320.427 3.288 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607801 1104624937 /nfs/dbraw/zinc/62/49/37/1104624937.db2.gz FUEGAGBOGBXDSW-QFBILLFUSA-N 2 1 320.427 3.288 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246610795 1104625832 /nfs/dbraw/zinc/62/58/32/1104625832.db2.gz NVCVDGRSRQPVSH-APWZRJJASA-N 2 1 320.427 3.288 20 0 DGADMP CCOC(=O)CC1CCC([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246612955 1104628632 /nfs/dbraw/zinc/62/86/32/1104628632.db2.gz JJLMKSUBEYADAI-TVPLGVNVSA-N 2 1 322.493 3.107 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246616522 1104630178 /nfs/dbraw/zinc/63/01/78/1104630178.db2.gz AZDDFEMTBJDJAM-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246616522 1104630179 /nfs/dbraw/zinc/63/01/79/1104630179.db2.gz AZDDFEMTBJDJAM-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617573 1104631402 /nfs/dbraw/zinc/63/14/02/1104631402.db2.gz DNWQTNYSERYRKW-PKOBYXMFSA-N 2 1 316.489 3.127 20 0 DGADMP Clc1cccc2c1CC[C@H]([NH+]1CCC3(CCC[NH2+]3)CC1)C2 ZINC001246622420 1104633461 /nfs/dbraw/zinc/63/34/61/1104633461.db2.gz ILENKCFRXPKOOJ-HNNXBMFYSA-N 2 1 304.865 3.415 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630999 1104636788 /nfs/dbraw/zinc/63/67/88/1104636788.db2.gz NELBIBXFFXACME-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630288 1104636856 /nfs/dbraw/zinc/63/68/56/1104636856.db2.gz ICJBKAYLTPELEO-SLFFLAALSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630288 1104636862 /nfs/dbraw/zinc/63/68/62/1104636862.db2.gz ICJBKAYLTPELEO-SLFFLAALSA-N 2 1 313.489 3.088 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246632460 1104638578 /nfs/dbraw/zinc/63/85/78/1104638578.db2.gz VJZXZKQZUZBHHW-ZWKOTPCHSA-N 2 1 304.865 3.273 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246639619 1104639923 /nfs/dbraw/zinc/63/99/23/1104639923.db2.gz QETWBPBKMXUVKU-MRXNPFEDSA-N 2 1 302.462 3.092 20 0 DGADMP C1CC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@H](C2CC[NH2+]CC2)C1 ZINC001246644773 1104642600 /nfs/dbraw/zinc/64/26/00/1104642600.db2.gz LTVFPZHNCXIZFS-GPJFCIFZSA-N 3 1 319.537 3.153 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246646345 1104643191 /nfs/dbraw/zinc/64/31/91/1104643191.db2.gz YPMIEQKPXUOBBM-LJQANCHMSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246646345 1104643197 /nfs/dbraw/zinc/64/31/97/1104643197.db2.gz YPMIEQKPXUOBBM-LJQANCHMSA-N 2 1 316.489 3.242 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246645547 1104643300 /nfs/dbraw/zinc/64/33/00/1104643300.db2.gz CRCNELIAIQNPPQ-JJYICEPISA-N 2 1 310.485 3.355 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246645547 1104643305 /nfs/dbraw/zinc/64/33/05/1104643305.db2.gz CRCNELIAIQNPPQ-JJYICEPISA-N 2 1 310.485 3.355 20 0 DGADMP CCC(C)(C)C1CCC([N@@H+]2CCOCC23CC[NH2+]CC3)CC1 ZINC001246645811 1104643334 /nfs/dbraw/zinc/64/33/34/1104643334.db2.gz VQIMYCXKCDPVNM-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCOCC23CC[NH2+]CC3)CC1 ZINC001246645811 1104643338 /nfs/dbraw/zinc/64/33/38/1104643338.db2.gz VQIMYCXKCDPVNM-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC001246646851 1104643432 /nfs/dbraw/zinc/64/34/32/1104643432.db2.gz OOXYVENGMBKLJH-PAXLWEDBSA-N 2 1 324.468 3.463 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC001246646851 1104643439 /nfs/dbraw/zinc/64/34/39/1104643439.db2.gz OOXYVENGMBKLJH-PAXLWEDBSA-N 2 1 324.468 3.463 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646309 1104643727 /nfs/dbraw/zinc/64/37/27/1104643727.db2.gz YIQFPNFDUVKIMM-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646309 1104643730 /nfs/dbraw/zinc/64/37/30/1104643730.db2.gz YIQFPNFDUVKIMM-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP CC(C)(C)C1CCC([N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246645412 1104643865 /nfs/dbraw/zinc/64/38/65/1104643865.db2.gz KTXAKULKEJTDPX-TVPLGVNVSA-N 2 1 308.510 3.293 20 0 DGADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001275137101 1104645024 /nfs/dbraw/zinc/64/50/24/1104645024.db2.gz NQONCDSVIWUANU-UHFFFAOYSA-N 2 1 305.491 3.149 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650877 1104647162 /nfs/dbraw/zinc/64/71/62/1104647162.db2.gz JLSNDVYLFXSMMX-RTBURBONSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650877 1104647165 /nfs/dbraw/zinc/64/71/65/1104647165.db2.gz JLSNDVYLFXSMMX-RTBURBONSA-N 2 1 302.437 3.291 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779352 1104668596 /nfs/dbraw/zinc/66/85/96/1104668596.db2.gz ZPEBRPOUBRUBDD-OLZOCXBDSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779352 1104668601 /nfs/dbraw/zinc/66/86/01/1104668601.db2.gz ZPEBRPOUBRUBDD-OLZOCXBDSA-N 2 1 311.267 3.051 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650875 1104648146 /nfs/dbraw/zinc/64/81/46/1104648146.db2.gz JLSNDVYLFXSMMX-RBUKOAKNSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650875 1104648149 /nfs/dbraw/zinc/64/81/49/1104648149.db2.gz JLSNDVYLFXSMMX-RBUKOAKNSA-N 2 1 302.437 3.291 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246652682 1104649221 /nfs/dbraw/zinc/64/92/21/1104649221.db2.gz HAYYKQRDZVKZDW-KSZLIROESA-N 3 1 307.526 3.007 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N3CCC([C@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656163 1104650936 /nfs/dbraw/zinc/65/09/36/1104650936.db2.gz MNLOAGHEUWXBRO-WOJBJXKFSA-N 2 1 319.537 3.248 20 0 DGADMP C1CCC(N2CCC[C@@H]([NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656163 1104650940 /nfs/dbraw/zinc/65/09/40/1104650940.db2.gz MNLOAGHEUWXBRO-WOJBJXKFSA-N 2 1 319.537 3.248 20 0 DGADMP CSCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246672132 1104655748 /nfs/dbraw/zinc/65/57/48/1104655748.db2.gz JYDQXXMSIXQYNH-WDSOQIARSA-N 2 1 318.530 3.381 20 0 DGADMP CCCCC[C@@H](CC)[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246675705 1104657154 /nfs/dbraw/zinc/65/71/54/1104657154.db2.gz AOWSYSGHSLPIFJ-SCTDSRPQSA-N 2 1 324.509 3.210 20 0 DGADMP CCSC[C@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246674004 1104657344 /nfs/dbraw/zinc/65/73/44/1104657344.db2.gz RURBLWZABOFLOT-CGTJXYLNSA-N 2 1 304.503 3.207 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246678583 1104658288 /nfs/dbraw/zinc/65/82/88/1104658288.db2.gz OJWRQUWUWUYZGQ-BJLQDIEVSA-N 2 1 316.464 3.395 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)CC1CC[NH2+]CC1)CC2 ZINC001246677963 1104658616 /nfs/dbraw/zinc/65/86/16/1104658616.db2.gz AZWAQFJMAWZQRO-CQSZACIVSA-N 2 1 322.880 3.137 20 0 DGADMP c1cc2c(s1)CC[N@@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246683868 1104659825 /nfs/dbraw/zinc/65/98/25/1104659825.db2.gz VCVAXIHWNQRDJU-MSOLQXFVSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)CC[N@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246683868 1104659833 /nfs/dbraw/zinc/65/98/33/1104659833.db2.gz VCVAXIHWNQRDJU-MSOLQXFVSA-N 2 1 312.482 3.470 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](CC)C[C@@H](C)CC)C[C@@H]1CC[NH2+]CC2 ZINC001246683853 1104660119 /nfs/dbraw/zinc/66/01/19/1104660119.db2.gz UXPDJNCJBNVQHU-DWRORGKVSA-N 2 1 324.509 3.066 20 0 DGADMP CCSC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246684631 1104660323 /nfs/dbraw/zinc/66/03/23/1104660323.db2.gz MOLGVJBGNLYREQ-UHOSZYNNSA-N 2 1 318.530 3.381 20 0 DGADMP Fc1cc2c(cc1F)CC([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246679626 1104660499 /nfs/dbraw/zinc/66/04/99/1104660499.db2.gz WVGGCBUDTPEHPL-ZIAGYGMSSA-N 2 1 320.427 3.144 20 0 DGADMP CSCC[C@@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246688429 1104662028 /nfs/dbraw/zinc/66/20/28/1104662028.db2.gz ZUWVKBLVXUMEPQ-NXHRZFHOSA-N 2 1 304.503 3.207 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246689374 1104662224 /nfs/dbraw/zinc/66/22/24/1104662224.db2.gz JPWNZMPVJRHQGJ-FCGDIQPGSA-N 2 1 302.437 3.346 20 0 DGADMP COc1cccc(C[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246769469 1104667074 /nfs/dbraw/zinc/66/70/74/1104667074.db2.gz KKKVIRWWYZDDTB-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246777304 1104669203 /nfs/dbraw/zinc/66/92/03/1104669203.db2.gz FEPKTQKZJHJOTG-CRAIPNDOSA-N 2 1 318.461 3.069 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246783522 1104672064 /nfs/dbraw/zinc/67/20/64/1104672064.db2.gz ZYEZVFOMJQNGKW-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP C[N@@H+](CCOc1ccccc1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246783062 1104672511 /nfs/dbraw/zinc/67/25/11/1104672511.db2.gz VZRMYKOBTCJZRI-UHFFFAOYSA-N 2 1 302.462 3.310 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC1 ZINC001246784484 1104673699 /nfs/dbraw/zinc/67/36/99/1104673699.db2.gz XJKYWQUCLKOYSL-LADRWXRNSA-N 2 1 318.461 3.069 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC[NH2+]1 ZINC001246784518 1104673743 /nfs/dbraw/zinc/67/37/43/1104673743.db2.gz XQLSLGSIRAFMMQ-ZACQAIPSSA-N 2 1 318.461 3.069 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784332 1104673948 /nfs/dbraw/zinc/67/39/48/1104673948.db2.gz WXAFHIKCSAJCOL-UXLLHSPISA-N 2 1 324.415 3.195 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784332 1104673951 /nfs/dbraw/zinc/67/39/51/1104673951.db2.gz WXAFHIKCSAJCOL-UXLLHSPISA-N 2 1 324.415 3.195 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246786979 1104675036 /nfs/dbraw/zinc/67/50/36/1104675036.db2.gz OQVWVIUDZDFNER-SJLPKXTDSA-N 2 1 300.446 3.205 20 0 DGADMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)[nH]n1 ZINC001275208138 1104676649 /nfs/dbraw/zinc/67/66/49/1104676649.db2.gz IFRJGKQLPBXMGI-ZWKOTPCHSA-N 2 1 302.466 3.185 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001246793147 1104677441 /nfs/dbraw/zinc/67/74/41/1104677441.db2.gz DLFSWJJRFXEOOK-YOEHRIQHSA-N 2 1 310.869 3.319 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246792312 1104677585 /nfs/dbraw/zinc/67/75/85/1104677585.db2.gz USEFLZCETZNYSG-ZACQAIPSSA-N 2 1 324.509 3.351 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246791440 1104677861 /nfs/dbraw/zinc/67/78/61/1104677861.db2.gz YOPHUPDILXKDGB-AEFFLSMTSA-N 2 1 300.446 3.062 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001246792600 1104678413 /nfs/dbraw/zinc/67/84/13/1104678413.db2.gz AJPHBJCDUDSPPL-OCCSQVGLSA-N 2 1 300.368 3.493 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246794946 1104679782 /nfs/dbraw/zinc/67/97/82/1104679782.db2.gz GNTCKMRJHOMEFD-VUHPKUFZSA-N 2 1 317.477 3.234 20 0 DGADMP Cn1cccc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001275233685 1104685312 /nfs/dbraw/zinc/68/53/12/1104685312.db2.gz HJGMTBQETWYPHO-UHFFFAOYSA-N 2 1 309.457 3.004 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CCc2cccc(OC)c2)CC[NH2+]1 ZINC001246813649 1104686932 /nfs/dbraw/zinc/68/69/32/1104686932.db2.gz LBRKNZCYCZEXOW-QZTJIDSGSA-N 2 1 304.478 3.480 20 0 DGADMP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246813028 1104687087 /nfs/dbraw/zinc/68/70/87/1104687087.db2.gz YESZJIBRQNBOOG-NSHDSACASA-N 2 1 317.285 3.273 20 0 DGADMP CC[C@H]1CC([N@@H+](C)CCc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246811954 1104687349 /nfs/dbraw/zinc/68/73/49/1104687349.db2.gz AVSXAVGXRCHCON-IRXDYDNUSA-N 2 1 304.478 3.479 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246812922 1104687472 /nfs/dbraw/zinc/68/74/72/1104687472.db2.gz FPTISMWMDVMUJS-SMDDNHRTSA-N 2 1 313.272 3.392 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814160 1104689009 /nfs/dbraw/zinc/68/90/09/1104689009.db2.gz OBRYEVRTKYZJOW-OCCSQVGLSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])CN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246819007 1104690311 /nfs/dbraw/zinc/69/03/11/1104690311.db2.gz DPSYVGXZJMPTBY-QRQLOZEOSA-N 2 1 315.505 3.241 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN[C@H](c2ccccc2)C1 ZINC001246822515 1104691647 /nfs/dbraw/zinc/69/16/47/1104691647.db2.gz BLUWHKACSVAEQX-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246822515 1104691651 /nfs/dbraw/zinc/69/16/51/1104691651.db2.gz BLUWHKACSVAEQX-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP COCCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246834761 1104697187 /nfs/dbraw/zinc/69/71/87/1104697187.db2.gz GPHNJOSWJITYKB-SFHVURJKSA-N 2 1 318.505 3.407 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246838779 1104699818 /nfs/dbraw/zinc/69/98/18/1104699818.db2.gz GIOPFRNKQPBWDH-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001246837927 1104700062 /nfs/dbraw/zinc/70/00/62/1104700062.db2.gz WZTHOUFNMDYIGG-UHFFFAOYSA-N 2 1 323.278 3.338 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246841556 1104700589 /nfs/dbraw/zinc/70/05/89/1104700589.db2.gz UUBUOKKUKWLJLY-IEBWSBKVSA-N 2 1 302.462 3.439 20 0 DGADMP CC[C@@H]1C[C@@H](N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246841967 1104701412 /nfs/dbraw/zinc/70/14/12/1104701412.db2.gz SDAHFTVONNKOAL-HSALFYBXSA-N 2 1 315.505 3.113 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246840442 1104701429 /nfs/dbraw/zinc/70/14/29/1104701429.db2.gz OLYIZHRYEHISFS-OAGGEKHMSA-N 2 1 320.477 3.061 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001246843821 1104703915 /nfs/dbraw/zinc/70/39/15/1104703915.db2.gz WSDDUCJXJSUYLT-FIGXOLIYSA-N 2 1 310.485 3.482 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001246843821 1104703921 /nfs/dbraw/zinc/70/39/21/1104703921.db2.gz WSDDUCJXJSUYLT-FIGXOLIYSA-N 2 1 310.485 3.482 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+](C3C[C@@H]4C=C[C@H](C3)[NH2+]4)C2)cc1 ZINC001246852107 1104706354 /nfs/dbraw/zinc/70/63/54/1104706354.db2.gz PHFCECZFLQCXIY-IXEWLPCDSA-N 2 1 318.848 3.242 20 0 DGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246848718 1104707410 /nfs/dbraw/zinc/70/74/10/1104707410.db2.gz DBJQOHSOVWJMJY-LMMKCTJWSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Br)c3)C[C@H]2CC1 ZINC001275290230 1104708130 /nfs/dbraw/zinc/70/81/30/1104708130.db2.gz APBYPOKUIDDAIX-GASCZTMLSA-N 2 1 323.278 3.223 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@H]2CC1 ZINC001275290230 1104708135 /nfs/dbraw/zinc/70/81/35/1104708135.db2.gz APBYPOKUIDDAIX-GASCZTMLSA-N 2 1 323.278 3.223 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]2CC1 ZINC001275290230 1104708144 /nfs/dbraw/zinc/70/81/44/1104708144.db2.gz APBYPOKUIDDAIX-GASCZTMLSA-N 2 1 323.278 3.223 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853825 1104709041 /nfs/dbraw/zinc/70/90/41/1104709041.db2.gz NPEWEUBTSIMTIP-GHJWDPDVSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853825 1104709052 /nfs/dbraw/zinc/70/90/52/1104709052.db2.gz NPEWEUBTSIMTIP-GHJWDPDVSA-N 2 1 311.256 3.274 20 0 DGADMP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246855123 1104709560 /nfs/dbraw/zinc/70/95/60/1104709560.db2.gz TXOWEKPPWSIKMS-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001246862435 1104711037 /nfs/dbraw/zinc/71/10/37/1104711037.db2.gz GRJICFVCEMTJJT-GXTWGEPZSA-N 2 1 316.367 3.058 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246863918 1104711531 /nfs/dbraw/zinc/71/15/31/1104711531.db2.gz HDOYZHBEPKRWCS-SKINQDTJSA-N 2 1 314.473 3.297 20 0 DGADMP CCCCCC[C@H](CCC)[NH+]1CCC([C@H]([NH3+])C(=O)OC)CC1 ZINC001246866451 1104712883 /nfs/dbraw/zinc/71/28/83/1104712883.db2.gz CQUTWWMNFZDUEI-IRXDYDNUSA-N 2 1 312.498 3.338 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246864980 1104712905 /nfs/dbraw/zinc/71/29/05/1104712905.db2.gz QZYIPWUHDXUAIF-RISCZKNCSA-N 2 1 313.272 3.392 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H](CC)[NH2+]1 ZINC001246875718 1104716936 /nfs/dbraw/zinc/71/69/36/1104716936.db2.gz NYDVKIBPADGFMN-PIIMJCKOSA-N 2 1 318.461 3.214 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H](CC)[NH2+]1 ZINC001246875718 1104716941 /nfs/dbraw/zinc/71/69/41/1104716941.db2.gz NYDVKIBPADGFMN-PIIMJCKOSA-N 2 1 318.461 3.214 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246878584 1104718411 /nfs/dbraw/zinc/71/84/11/1104718411.db2.gz WWEPVVDYXHMPDK-HZPDHXFCSA-N 2 1 322.493 3.105 20 0 DGADMP Nc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246877459 1104718790 /nfs/dbraw/zinc/71/87/90/1104718790.db2.gz BHUFKIQRUGBTCS-PMACEKPBSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246877459 1104718797 /nfs/dbraw/zinc/71/87/97/1104718797.db2.gz BHUFKIQRUGBTCS-PMACEKPBSA-N 2 1 307.441 3.120 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)CC[NH2+]1 ZINC001246882832 1104721334 /nfs/dbraw/zinc/72/13/34/1104721334.db2.gz OODBZZHDIDFUAK-GUDVDZBRSA-N 2 1 316.489 3.480 20 0 DGADMP c1csc([C@H]2C[NH2+]CCN2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001246883678 1104721932 /nfs/dbraw/zinc/72/19/32/1104721932.db2.gz DZDXBFVLSANWOY-IAGOWNOFSA-N 2 1 319.518 3.101 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246884416 1104721984 /nfs/dbraw/zinc/72/19/84/1104721984.db2.gz AYXOTMLUBMKOGD-VQSBYGRUSA-N 2 1 316.489 3.480 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC[NH2+]1 ZINC001246882836 1104722056 /nfs/dbraw/zinc/72/20/56/1104722056.db2.gz OODBZZHDIDFUAK-OTWHNJEPSA-N 2 1 316.489 3.480 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccc2)nc1 ZINC001275328069 1104724261 /nfs/dbraw/zinc/72/42/61/1104724261.db2.gz WFXSNKKANOSKBZ-YQQQUEKLSA-N 2 1 307.441 3.463 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccc2)nc1 ZINC001275328069 1104724267 /nfs/dbraw/zinc/72/42/67/1104724267.db2.gz WFXSNKKANOSKBZ-YQQQUEKLSA-N 2 1 307.441 3.463 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246891826 1104725531 /nfs/dbraw/zinc/72/55/31/1104725531.db2.gz YMMUVNIPKCEDNI-HQRMLTQVSA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246891827 1104725545 /nfs/dbraw/zinc/72/55/45/1104725545.db2.gz YMMUVNIPKCEDNI-ILZDJORESA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246891829 1104725859 /nfs/dbraw/zinc/72/58/59/1104725859.db2.gz YMMUVNIPKCEDNI-QRFRQXIXSA-N 2 1 316.489 3.480 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc3sccc32)CC1 ZINC001246894957 1104727692 /nfs/dbraw/zinc/72/76/92/1104727692.db2.gz BPDCHRJPLCMQTM-CQSZACIVSA-N 2 1 303.475 3.021 20 0 DGADMP CCCC[C@H]1CN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246904295 1104730099 /nfs/dbraw/zinc/73/00/99/1104730099.db2.gz VMCJNMZEOPJDFZ-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246912743 1104733827 /nfs/dbraw/zinc/73/38/27/1104733827.db2.gz VIYMUABDLMQGNU-FJFRGRGDSA-N 3 1 313.489 3.042 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246914451 1104735480 /nfs/dbraw/zinc/73/54/80/1104735480.db2.gz LCQNEHVZVKHYGU-HTUJPFKRSA-N 2 1 314.473 3.233 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246914095 1104735824 /nfs/dbraw/zinc/73/58/24/1104735824.db2.gz JONHZZFKRAHWED-UKBAYJJMSA-N 2 1 316.489 3.479 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246918201 1104736675 /nfs/dbraw/zinc/73/66/75/1104736675.db2.gz ZVPGFEAQCUNPJF-QZTJIDSGSA-N 2 1 316.489 3.480 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246919807 1104737229 /nfs/dbraw/zinc/73/72/29/1104737229.db2.gz ROPXDKRGKRBFHI-YVSFHVDLSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246919807 1104737234 /nfs/dbraw/zinc/73/72/34/1104737234.db2.gz ROPXDKRGKRBFHI-YVSFHVDLSA-N 2 1 322.493 3.103 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246926734 1104740442 /nfs/dbraw/zinc/74/04/42/1104740442.db2.gz DXNPHHHQGXJSCJ-MVJTYMMSSA-N 2 1 302.462 3.404 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246930096 1104741058 /nfs/dbraw/zinc/74/10/58/1104741058.db2.gz PVGHCEQELCKUHU-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP Fc1ccccc1C[N@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC001246932799 1104741214 /nfs/dbraw/zinc/74/12/14/1104741214.db2.gz HAXQZCINKKBZRJ-UHFFFAOYSA-N 2 1 308.466 3.275 20 0 DGADMP Fc1ccccc1C[N@@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC001246932799 1104741219 /nfs/dbraw/zinc/74/12/19/1104741219.db2.gz HAXQZCINKKBZRJ-UHFFFAOYSA-N 2 1 308.466 3.275 20 0 DGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001246932741 1104741229 /nfs/dbraw/zinc/74/12/29/1104741229.db2.gz HGUCCFMZEJGYBO-APHBMKBZSA-N 2 1 314.395 3.392 20 0 DGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001246932741 1104741235 /nfs/dbraw/zinc/74/12/35/1104741235.db2.gz HGUCCFMZEJGYBO-APHBMKBZSA-N 2 1 314.395 3.392 20 0 DGADMP COCC[N@@H+]([C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001246930224 1104741670 /nfs/dbraw/zinc/74/16/70/1104741670.db2.gz SVBKOZCSSVUPNT-AQNXPRMDSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@H+]([C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001246930224 1104741673 /nfs/dbraw/zinc/74/16/73/1104741673.db2.gz SVBKOZCSSVUPNT-AQNXPRMDSA-N 2 1 316.489 3.413 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246937623 1104743920 /nfs/dbraw/zinc/74/39/20/1104743920.db2.gz JFSKKZNEEWIHLE-IUODEOHRSA-N 2 1 300.368 3.320 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246937623 1104743922 /nfs/dbraw/zinc/74/39/22/1104743922.db2.gz JFSKKZNEEWIHLE-IUODEOHRSA-N 2 1 300.368 3.320 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246938944 1104745056 /nfs/dbraw/zinc/74/50/56/1104745056.db2.gz PWWMCEICJYLHCB-QRQLOZEOSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246941850 1104745617 /nfs/dbraw/zinc/74/56/17/1104745617.db2.gz CIIQRJWQWHTNAA-JENIJYKNSA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC001246943413 1104746468 /nfs/dbraw/zinc/74/64/68/1104746468.db2.gz BTIPUADXMVFPRH-UYAOXDASSA-N 2 1 314.473 3.366 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246947617 1104747960 /nfs/dbraw/zinc/74/79/60/1104747960.db2.gz GHHJIQAWSCFQDA-ROUUACIJSA-N 2 1 319.468 3.114 20 0 DGADMP [NH3+]C[C@]1(F)CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246947361 1104748518 /nfs/dbraw/zinc/74/85/18/1104748518.db2.gz WVTJRLIULNBMEF-NKELODKYSA-N 2 1 302.437 3.186 20 0 DGADMP CC[C@H]1CC([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246946845 1104748585 /nfs/dbraw/zinc/74/85/85/1104748585.db2.gz PTPZMPKNHJFHIU-HOTGVXAUSA-N 3 1 309.542 3.396 20 0 DGADMP CC[C@H]1CC([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246946845 1104748590 /nfs/dbraw/zinc/74/85/90/1104748590.db2.gz PTPZMPKNHJFHIU-HOTGVXAUSA-N 3 1 309.542 3.396 20 0 DGADMP C[C@H]1CC([N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C[C@H](C)C1 ZINC001246952200 1104750952 /nfs/dbraw/zinc/75/09/52/1104750952.db2.gz JPDAXLNDNNNVAD-HZPDHXFCSA-N 2 1 301.478 3.460 20 0 DGADMP Cn1c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc2ccccc21 ZINC001275415231 1104751993 /nfs/dbraw/zinc/75/19/93/1104751993.db2.gz ZNLXSZDVCSSVGJ-UHFFFAOYSA-N 2 1 311.473 3.486 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)nc1 ZINC001246966010 1104753683 /nfs/dbraw/zinc/75/36/83/1104753683.db2.gz IUCZTMXCZBXULV-GVDBMIGSSA-N 2 1 317.477 3.010 20 0 DGADMP C[C@@H]1CC(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246970179 1104754743 /nfs/dbraw/zinc/75/47/43/1104754743.db2.gz SRCWLTMZZGFVHI-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246967604 1104755462 /nfs/dbraw/zinc/75/54/62/1104755462.db2.gz IFRPEOGSOLBBCJ-YFYQMDMQSA-N 2 1 315.505 3.110 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3cccc(C)n3)C2)CC[NH2+]1 ZINC001246972928 1104756219 /nfs/dbraw/zinc/75/62/19/1104756219.db2.gz KTZBRUFXVORSJB-KURKYZTESA-N 2 1 317.477 3.154 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@H](Oc3cccc(C)n3)C2)C[C@@H](CC)[NH2+]1 ZINC001246972453 1104756281 /nfs/dbraw/zinc/75/62/81/1104756281.db2.gz IFTJGIYTXPNYQU-NUJGCVRESA-N 2 1 317.477 3.152 20 0 DGADMP C1C[C@@H]([N@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)CN1 ZINC001246975286 1104758070 /nfs/dbraw/zinc/75/80/70/1104758070.db2.gz BQDZTEAFQUTTOV-IOJLRTSASA-N 2 1 319.537 3.295 20 0 DGADMP C1C[C@@H]([N@@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)CN1 ZINC001246975286 1104758074 /nfs/dbraw/zinc/75/80/74/1104758074.db2.gz BQDZTEAFQUTTOV-IOJLRTSASA-N 2 1 319.537 3.295 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH2+]CC2)c1 ZINC001246977143 1104759423 /nfs/dbraw/zinc/75/94/23/1104759423.db2.gz ZLWGKAXERBXKPJ-UFYCRDLUSA-N 3 1 315.505 3.209 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246977173 1104759788 /nfs/dbraw/zinc/75/97/88/1104759788.db2.gz CJKCLZRDFVVWRH-NJAFHUGGSA-N 2 1 306.425 3.055 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N([C@@H]3CC[NH2+]C3)C3CCCCC3)C2)C1 ZINC001246980970 1104760788 /nfs/dbraw/zinc/76/07/88/1104760788.db2.gz VDMATBBODXPRGL-UXHICEINSA-N 2 1 319.537 3.390 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)nc1C ZINC001275454762 1104764685 /nfs/dbraw/zinc/76/46/85/1104764685.db2.gz RJYBUGDNNLBKPZ-AGUYFDCRSA-N 2 1 313.367 3.124 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)nc1C ZINC001275454762 1104764688 /nfs/dbraw/zinc/76/46/88/1104764688.db2.gz RJYBUGDNNLBKPZ-AGUYFDCRSA-N 2 1 313.367 3.124 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CC(C)(C)C1 ZINC001246988459 1104765413 /nfs/dbraw/zinc/76/54/13/1104765413.db2.gz HLQBQVVAEPMHKK-LPHOPBHVSA-N 2 1 321.553 3.349 20 0 DGADMP FC1(F)C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@H]1Cc1ccccc1 ZINC001246987874 1104765627 /nfs/dbraw/zinc/76/56/27/1104765627.db2.gz NZVIKCUCKMAIGO-XWTMOSNGSA-N 2 1 320.427 3.184 20 0 DGADMP FC1(F)C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@H]1Cc1ccccc1 ZINC001246987874 1104765630 /nfs/dbraw/zinc/76/56/30/1104765630.db2.gz NZVIKCUCKMAIGO-XWTMOSNGSA-N 2 1 320.427 3.184 20 0 DGADMP CCCCOC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246994761 1104767226 /nfs/dbraw/zinc/76/72/26/1104767226.db2.gz RPGYLMNUFCAJPH-IAGOWNOFSA-N 2 1 322.493 3.107 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246995694 1104768697 /nfs/dbraw/zinc/76/86/97/1104768697.db2.gz CZMVQNGEHZKOSG-QRWLVFNGSA-N 2 1 314.448 3.248 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)C[C@@H]2Cc3ccccc3O2)C[C@@H](CC)[NH2+]1 ZINC001246999463 1104770680 /nfs/dbraw/zinc/77/06/80/1104770680.db2.gz JEIULMFUNCMMAB-NUJGCVRESA-N 2 1 302.462 3.231 20 0 DGADMP C[C@@H]1C(=O)CC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001416 1104771690 /nfs/dbraw/zinc/77/16/90/1104771690.db2.gz IJZZADVBDUCGDL-HLLBOEOZSA-N 2 1 306.494 3.377 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C12CCCC2 ZINC001247001416 1104771693 /nfs/dbraw/zinc/77/16/93/1104771693.db2.gz IJZZADVBDUCGDL-HLLBOEOZSA-N 2 1 306.494 3.377 20 0 DGADMP C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001247000956 1104771827 /nfs/dbraw/zinc/77/18/27/1104771827.db2.gz OSDFBVZZYIMHJV-AABGKKOBSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001247000956 1104771835 /nfs/dbraw/zinc/77/18/35/1104771835.db2.gz OSDFBVZZYIMHJV-AABGKKOBSA-N 2 1 322.452 3.415 20 0 DGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](C2CCSCC2)CC1 ZINC001247005652 1104774062 /nfs/dbraw/zinc/77/40/62/1104774062.db2.gz RAIKNMHJDZKTAH-UHFFFAOYSA-N 2 1 302.487 3.019 20 0 DGADMP CCCC[C@H](CC(C)C)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247008664 1104775776 /nfs/dbraw/zinc/77/57/76/1104775776.db2.gz NOPOSPSGFWFBPM-SJORKVTESA-N 2 1 324.509 3.066 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013660 1104778317 /nfs/dbraw/zinc/77/83/17/1104778317.db2.gz HPTKEODLZVXSII-CKEIUWERSA-N 2 1 308.466 3.380 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015831 1104779434 /nfs/dbraw/zinc/77/94/34/1104779434.db2.gz QHVSQEMUVRUQKN-SUYBPPKGSA-N 2 1 310.844 3.484 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015831 1104779437 /nfs/dbraw/zinc/77/94/37/1104779437.db2.gz QHVSQEMUVRUQKN-SUYBPPKGSA-N 2 1 310.844 3.484 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015824 1104779473 /nfs/dbraw/zinc/77/94/73/1104779473.db2.gz QHVSQEMUVRUQKN-HACGYAERSA-N 2 1 310.844 3.484 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015824 1104779476 /nfs/dbraw/zinc/77/94/76/1104779476.db2.gz QHVSQEMUVRUQKN-HACGYAERSA-N 2 1 310.844 3.484 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015830 1104779488 /nfs/dbraw/zinc/77/94/88/1104779488.db2.gz QHVSQEMUVRUQKN-MRRJBJDNSA-N 2 1 310.844 3.484 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015830 1104779493 /nfs/dbraw/zinc/77/94/93/1104779493.db2.gz QHVSQEMUVRUQKN-MRRJBJDNSA-N 2 1 310.844 3.484 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c3cc[nH]c3ncc1Cl)CC2 ZINC001275687761 1104863348 /nfs/dbraw/zinc/86/33/48/1104863348.db2.gz FYUXQZUKBSQQMK-UHFFFAOYSA-N 2 1 318.852 3.086 20 0 DGADMP Cc1ccc(-c2ccccc2-c2noc([C@H]([NH3+])CCC[NH3+])n2)cc1 ZINC001247506351 1104914578 /nfs/dbraw/zinc/91/45/78/1104914578.db2.gz BQUHCYYQXJLVNU-QGZVFWFLSA-N 2 1 322.412 3.451 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccncc2)cc1 ZINC001275966829 1104971504 /nfs/dbraw/zinc/97/15/04/1104971504.db2.gz GEOLZFDSIGNQGR-IHWFROFDSA-N 2 1 307.441 3.463 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1coc(-c3ccccc3)n1)CC2 ZINC001276091020 1105014086 /nfs/dbraw/zinc/01/40/86/1105014086.db2.gz IULPMZVKKAKWPH-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1coc(-c3ccccc3)n1)CC2 ZINC001276091020 1105014093 /nfs/dbraw/zinc/01/40/93/1105014093.db2.gz IULPMZVKKAKWPH-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1N ZINC000719899279 1105032892 /nfs/dbraw/zinc/03/28/92/1105032892.db2.gz YQQLDFMXPFRZFZ-PMACEKPBSA-N 2 1 315.505 3.100 20 0 DGADMP c1coc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001276189326 1105043849 /nfs/dbraw/zinc/04/38/49/1105043849.db2.gz FZSLFDBJPHDTFG-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP c1coc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001276189326 1105043854 /nfs/dbraw/zinc/04/38/54/1105043854.db2.gz FZSLFDBJPHDTFG-UHFFFAOYSA-N 2 1 303.450 3.295 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001326906507 1105048661 /nfs/dbraw/zinc/04/86/61/1105048661.db2.gz RQNGXHFCEVOGEV-UHFFFAOYSA-N 2 1 322.456 3.030 20 0 DGADMP Cc1cccnc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001276257265 1105064819 /nfs/dbraw/zinc/06/48/19/1105064819.db2.gz FCJNDYWXVPDNCP-UXHICEINSA-N 2 1 324.472 3.443 20 0 DGADMP Cc1cnccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276256095 1105064856 /nfs/dbraw/zinc/06/48/56/1105064856.db2.gz GYCIKQMXCHWSPV-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276256095 1105064864 /nfs/dbraw/zinc/06/48/64/1105064864.db2.gz GYCIKQMXCHWSPV-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276256095 1105064870 /nfs/dbraw/zinc/06/48/70/1105064870.db2.gz GYCIKQMXCHWSPV-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP CCc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1 ZINC001248195200 1105065870 /nfs/dbraw/zinc/06/58/70/1105065870.db2.gz SGXZIMIGEVDYMW-HNNXBMFYSA-N 2 1 302.422 3.031 20 0 DGADMP COCC[N@H+](Cc1c2ccoc2ccc1F)C1CCN(C)CC1 ZINC001248539645 1105124671 /nfs/dbraw/zinc/12/46/71/1105124671.db2.gz RFIRLBDMOBBEKL-UHFFFAOYSA-N 2 1 320.408 3.115 20 0 DGADMP COCC[N@@H+](Cc1c2ccoc2ccc1F)C1CCN(C)CC1 ZINC001248539645 1105124674 /nfs/dbraw/zinc/12/46/74/1105124674.db2.gz RFIRLBDMOBBEKL-UHFFFAOYSA-N 2 1 320.408 3.115 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cccc2n1 ZINC001248568354 1105130101 /nfs/dbraw/zinc/13/01/01/1105130101.db2.gz BJKYFIBGEBOJBS-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1noc2ccc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)cc12 ZINC001248712684 1105149506 /nfs/dbraw/zinc/14/95/06/1105149506.db2.gz RTWBKGJVJNIAKO-UHFFFAOYSA-N 2 1 322.412 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2n1CCC2 ZINC001248824469 1105171974 /nfs/dbraw/zinc/17/19/74/1105171974.db2.gz OLSVXZWYKWBYAV-ROUUACIJSA-N 2 1 301.478 3.273 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248824469 1105171976 /nfs/dbraw/zinc/17/19/76/1105171976.db2.gz OLSVXZWYKWBYAV-ROUUACIJSA-N 2 1 301.478 3.273 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2n1CCC2 ZINC001248824469 1105171978 /nfs/dbraw/zinc/17/19/78/1105171978.db2.gz OLSVXZWYKWBYAV-ROUUACIJSA-N 2 1 301.478 3.273 20 0 DGADMP Cc1cc(Cl)ccc1-c1noc([C@@H]([NH3+])CC2CC[NH2+]CC2)n1 ZINC001248895888 1105188937 /nfs/dbraw/zinc/18/89/37/1105188937.db2.gz JYJVHQVRNZYFEX-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP Cc1ccc(Cl)cc1-c1noc([C@H]([NH3+])CC2CC[NH2+]CC2)n1 ZINC001248897402 1105188945 /nfs/dbraw/zinc/18/89/45/1105188945.db2.gz XSBKRJHIXCUTFC-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP c1[nH]c2ncccc2c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137401763 1105514546 /nfs/dbraw/zinc/51/45/46/1105514546.db2.gz GOVIIFFBNFEUGK-QGZVFWFLSA-N 2 1 312.461 3.403 20 0 DGADMP CCCC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001252114394 1105742521 /nfs/dbraw/zinc/74/25/21/1105742521.db2.gz BWHOIVGRBGUPPZ-RTBURBONSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001252114394 1105742527 /nfs/dbraw/zinc/74/25/27/1105742527.db2.gz BWHOIVGRBGUPPZ-RTBURBONSA-N 2 1 318.505 3.428 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H](O)c1ccc(F)cc1 ZINC001252850102 1105842353 /nfs/dbraw/zinc/84/23/53/1105842353.db2.gz PLBHFXVBJCFEKB-GBESFXJTSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC001252850102 1105842359 /nfs/dbraw/zinc/84/23/59/1105842359.db2.gz PLBHFXVBJCFEKB-GBESFXJTSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC001252850102 1105842360 /nfs/dbraw/zinc/84/23/60/1105842360.db2.gz PLBHFXVBJCFEKB-GBESFXJTSA-N 2 1 320.452 3.198 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H](O)c1ccc(F)cc1 ZINC001252850104 1105842412 /nfs/dbraw/zinc/84/24/12/1105842412.db2.gz PLBHFXVBJCFEKB-OTWHNJEPSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC001252850104 1105842419 /nfs/dbraw/zinc/84/24/19/1105842419.db2.gz PLBHFXVBJCFEKB-OTWHNJEPSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC001252850104 1105842424 /nfs/dbraw/zinc/84/24/24/1105842424.db2.gz PLBHFXVBJCFEKB-OTWHNJEPSA-N 2 1 320.452 3.198 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC001252935872 1105856500 /nfs/dbraw/zinc/85/65/00/1105856500.db2.gz CJCGGQQUHWYJRX-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252935872 1105856504 /nfs/dbraw/zinc/85/65/04/1105856504.db2.gz CJCGGQQUHWYJRX-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252935872 1105856507 /nfs/dbraw/zinc/85/65/07/1105856507.db2.gz CJCGGQQUHWYJRX-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252935872 1105856511 /nfs/dbraw/zinc/85/65/11/1105856511.db2.gz CJCGGQQUHWYJRX-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[C@H]([NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252935872 1105856515 /nfs/dbraw/zinc/85/65/15/1105856515.db2.gz CJCGGQQUHWYJRX-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP CC1(C)CC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252950341 1105858258 /nfs/dbraw/zinc/85/82/58/1105858258.db2.gz JUDZOESDSSSZQK-AZUAARDMSA-N 2 1 316.489 3.039 20 0 DGADMP CC1(C)CC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252950341 1105858264 /nfs/dbraw/zinc/85/82/64/1105858264.db2.gz JUDZOESDSSSZQK-AZUAARDMSA-N 2 1 316.489 3.039 20 0 DGADMP CC1(C)CC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252950342 1105858531 /nfs/dbraw/zinc/85/85/31/1105858531.db2.gz JUDZOESDSSSZQK-ICSRJNTNSA-N 2 1 316.489 3.039 20 0 DGADMP CC1(C)CC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252950342 1105858533 /nfs/dbraw/zinc/85/85/33/1105858533.db2.gz JUDZOESDSSSZQK-ICSRJNTNSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc2ccccc2c1 ZINC001253403711 1105935192 /nfs/dbraw/zinc/93/51/92/1105935192.db2.gz ILZLLYBTKYHIGS-KSSFIOAISA-N 2 1 300.446 3.239 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC001253407388 1105936169 /nfs/dbraw/zinc/93/61/69/1105936169.db2.gz JRFBLXQBEBAOQH-IRXDYDNUSA-N 2 1 310.457 3.252 20 0 DGADMP CCCCC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253534790 1105952650 /nfs/dbraw/zinc/95/26/50/1105952650.db2.gz DPNSXUQXUHRYCH-WOJBJXKFSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253534790 1105952654 /nfs/dbraw/zinc/95/26/54/1105952654.db2.gz DPNSXUQXUHRYCH-WOJBJXKFSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253534790 1105952657 /nfs/dbraw/zinc/95/26/57/1105952657.db2.gz DPNSXUQXUHRYCH-WOJBJXKFSA-N 2 1 318.505 3.382 20 0 DGADMP CC(C)[N@@H+](CC1CC1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039081 1106012376 /nfs/dbraw/zinc/01/23/76/1106012376.db2.gz YSSLEBXZYYCCLQ-UHFFFAOYSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](CCC[NH2+]CCc1ccc(F)cc1)Cc1ccccc1 ZINC001254329657 1106055514 /nfs/dbraw/zinc/05/55/14/1106055514.db2.gz XYPVAKFEOCQUPD-UHFFFAOYSA-N 2 1 300.421 3.480 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001254387178 1106064444 /nfs/dbraw/zinc/06/44/44/1106064444.db2.gz GCJNIPFWEUOBQO-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001254387178 1106064450 /nfs/dbraw/zinc/06/44/50/1106064450.db2.gz GCJNIPFWEUOBQO-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001254387178 1106064454 /nfs/dbraw/zinc/06/44/54/1106064454.db2.gz GCJNIPFWEUOBQO-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001254499699 1106083617 /nfs/dbraw/zinc/08/36/17/1106083617.db2.gz NVDWAALIFNEVJY-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001254499699 1106083622 /nfs/dbraw/zinc/08/36/22/1106083622.db2.gz NVDWAALIFNEVJY-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001254499190 1106083870 /nfs/dbraw/zinc/08/38/70/1106083870.db2.gz BXWQTQLKJNEJPK-OAHLLOKOSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001254499190 1106083874 /nfs/dbraw/zinc/08/38/74/1106083874.db2.gz BXWQTQLKJNEJPK-OAHLLOKOSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001254506676 1106085917 /nfs/dbraw/zinc/08/59/17/1106085917.db2.gz WWWLWOQDIAWBFA-MRXNPFEDSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@H+]1CCC[C@@H](Nc2ccc(C[NH3+])cc2C(F)(F)F)CC1 ZINC001254510155 1106086447 /nfs/dbraw/zinc/08/64/47/1106086447.db2.gz SEGPXOPRPMFLIB-GFCCVEGCSA-N 2 1 301.356 3.060 20 0 DGADMP C[N@H+]1CCC[C@H](n2c3ccc(F)cc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001254507791 1106087310 /nfs/dbraw/zinc/08/73/10/1106087310.db2.gz DZCCEPMOLUMBFJ-CABCVRRESA-N 2 1 315.436 3.253 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511054 1106087366 /nfs/dbraw/zinc/08/73/66/1106087366.db2.gz UDXHQPHNWFQSMQ-HNNXBMFYSA-N 2 1 322.880 3.420 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511054 1106087370 /nfs/dbraw/zinc/08/73/70/1106087370.db2.gz UDXHQPHNWFQSMQ-HNNXBMFYSA-N 2 1 322.880 3.420 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254511830 1106087492 /nfs/dbraw/zinc/08/74/92/1106087492.db2.gz FXCQJLSXXDBIOF-KRWDZBQOSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254523024 1106089580 /nfs/dbraw/zinc/08/95/80/1106089580.db2.gz LVEGNMFYCXAUIJ-IEBWSBKVSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523024 1106089583 /nfs/dbraw/zinc/08/95/83/1106089583.db2.gz LVEGNMFYCXAUIJ-IEBWSBKVSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523024 1106089589 /nfs/dbraw/zinc/08/95/89/1106089589.db2.gz LVEGNMFYCXAUIJ-IEBWSBKVSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001254516828 1106090064 /nfs/dbraw/zinc/09/00/64/1106090064.db2.gz QHWIGCISGGDKRO-KRWDZBQOSA-N 2 1 322.880 3.108 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001254524949 1106093016 /nfs/dbraw/zinc/09/30/16/1106093016.db2.gz FCEXDRFQAPCSIS-OAHLLOKOSA-N 2 1 305.491 3.122 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254526978 1106093394 /nfs/dbraw/zinc/09/33/94/1106093394.db2.gz VBCIPXHMXWXDIR-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254526978 1106093399 /nfs/dbraw/zinc/09/33/99/1106093399.db2.gz VBCIPXHMXWXDIR-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254526978 1106093403 /nfs/dbraw/zinc/09/34/03/1106093403.db2.gz VBCIPXHMXWXDIR-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)CC1 ZINC001254530269 1106095181 /nfs/dbraw/zinc/09/51/81/1106095181.db2.gz WCHZAWBXYFLEJE-SFHVURJKSA-N 2 1 320.452 3.401 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)C1CCN(c2ccc(F)cc2)CC1 ZINC001254633926 1106117744 /nfs/dbraw/zinc/11/77/44/1106117744.db2.gz ZHFIRUAFFPAUPW-UHFFFAOYSA-N 2 1 307.457 3.068 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254846648 1106147847 /nfs/dbraw/zinc/14/78/47/1106147847.db2.gz YBSCGCJNGGKXGF-MISYRCLQSA-N 2 1 319.537 3.375 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254846538 1106147875 /nfs/dbraw/zinc/14/78/75/1106147875.db2.gz WETIAKOQMKFHCB-KZNAEPCWSA-N 2 1 307.526 3.089 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C2CCOCC2)C3)cc1 ZINC001255044216 1106172545 /nfs/dbraw/zinc/17/25/45/1106172545.db2.gz NARJSLWDXSJIBN-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C2CCOCC2)C3)cc1 ZINC001255044216 1106172550 /nfs/dbraw/zinc/17/25/50/1106172550.db2.gz NARJSLWDXSJIBN-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C2CCOCC2)C3)cc1 ZINC001255044216 1106172554 /nfs/dbraw/zinc/17/25/54/1106172554.db2.gz NARJSLWDXSJIBN-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255124746 1106185477 /nfs/dbraw/zinc/18/54/77/1106185477.db2.gz NMXOFSRGYQCQRB-OWZKRDHZSA-N 2 1 324.472 3.014 20 0 DGADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124746 1106185478 /nfs/dbraw/zinc/18/54/78/1106185478.db2.gz NMXOFSRGYQCQRB-OWZKRDHZSA-N 2 1 324.472 3.014 20 0 DGADMP CC[N@@H+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255137230 1106187444 /nfs/dbraw/zinc/18/74/44/1106187444.db2.gz PTPSNYKOFJNYDS-BWTSREIZSA-N 2 1 302.462 3.150 20 0 DGADMP CC[NH+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137230 1106187445 /nfs/dbraw/zinc/18/74/45/1106187445.db2.gz PTPSNYKOFJNYDS-BWTSREIZSA-N 2 1 302.462 3.150 20 0 DGADMP CC[NH+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137230 1106187446 /nfs/dbraw/zinc/18/74/46/1106187446.db2.gz PTPSNYKOFJNYDS-BWTSREIZSA-N 2 1 302.462 3.150 20 0 DGADMP OC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135734 1106188153 /nfs/dbraw/zinc/18/81/53/1106188153.db2.gz FHQUCVPAIMIXMM-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135734 1106188156 /nfs/dbraw/zinc/18/81/56/1106188156.db2.gz FHQUCVPAIMIXMM-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135734 1106188160 /nfs/dbraw/zinc/18/81/60/1106188160.db2.gz FHQUCVPAIMIXMM-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135734 1106188163 /nfs/dbraw/zinc/18/81/63/1106188163.db2.gz FHQUCVPAIMIXMM-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@@H]1CCSC1)CC2 ZINC001255285351 1106215733 /nfs/dbraw/zinc/21/57/33/1106215733.db2.gz NCAAUENALFJCMC-WBVHZDCISA-N 2 1 320.502 3.462 20 0 DGADMP C1=C2CCCN([C@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001255294964 1106217227 /nfs/dbraw/zinc/21/72/27/1106217227.db2.gz QGLXGZHDIDQYGQ-ZWJWXYIHSA-N 2 1 318.530 3.387 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001255376328 1106235788 /nfs/dbraw/zinc/23/57/88/1106235788.db2.gz BFZHRUYGHYITNR-OALUTQOASA-N 2 1 304.478 3.302 20 0 DGADMP Fc1ncccc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386455 1106237544 /nfs/dbraw/zinc/23/75/44/1106237544.db2.gz MWOKCSRUHMNTIR-SFHVURJKSA-N 2 1 313.420 3.365 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@H]3CCCCO3)CC2)cc1 ZINC001255384576 1106237959 /nfs/dbraw/zinc/23/79/59/1106237959.db2.gz ZGAZEUQPCPAWEJ-RTBURBONSA-N 2 1 302.462 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC001255383716 1106237963 /nfs/dbraw/zinc/23/79/63/1106237963.db2.gz MNAOBMMLEWYARC-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384179 1106238254 /nfs/dbraw/zinc/23/82/54/1106238254.db2.gz UZMWUVDMOFQZPN-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)(O)CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389353 1106239466 /nfs/dbraw/zinc/23/94/66/1106239466.db2.gz LSKKOSPBWJEPKX-SFHVURJKSA-N 2 1 304.478 3.182 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388447 1106239897 /nfs/dbraw/zinc/23/98/97/1106239897.db2.gz ZUUXECSDLFVCBE-GOSISDBHSA-N 2 1 313.445 3.436 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388447 1106239899 /nfs/dbraw/zinc/23/98/99/1106239899.db2.gz ZUUXECSDLFVCBE-GOSISDBHSA-N 2 1 313.445 3.436 20 0 DGADMP C[NH+](C)CC(C)(C)CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392862 1106240244 /nfs/dbraw/zinc/24/02/44/1106240244.db2.gz JCJBHQPHCGYXEN-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392862 1106240249 /nfs/dbraw/zinc/24/02/49/1106240249.db2.gz JCJBHQPHCGYXEN-LJQANCHMSA-N 3 1 317.521 3.219 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392862 1106240254 /nfs/dbraw/zinc/24/02/54/1106240254.db2.gz JCJBHQPHCGYXEN-LJQANCHMSA-N 3 1 317.521 3.219 20 0 DGADMP C[C@@]1(O)CCCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399418 1106242762 /nfs/dbraw/zinc/24/27/62/1106242762.db2.gz RQKYZTQADVCVHE-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399418 1106242764 /nfs/dbraw/zinc/24/27/64/1106242764.db2.gz RQKYZTQADVCVHE-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@]1(O)CCCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399418 1106242767 /nfs/dbraw/zinc/24/27/67/1106242767.db2.gz RQKYZTQADVCVHE-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP COC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399212 1106243608 /nfs/dbraw/zinc/24/36/08/1106243608.db2.gz OYADGWNRULPRFB-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CCC[N@@H+](CCOC)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399347 1106243631 /nfs/dbraw/zinc/24/36/31/1106243631.db2.gz QGJFFUHVQOHRJO-LJQANCHMSA-N 2 1 304.478 3.400 20 0 DGADMP CCC[NH+](CCOC)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399347 1106243633 /nfs/dbraw/zinc/24/36/33/1106243633.db2.gz QGJFFUHVQOHRJO-LJQANCHMSA-N 2 1 304.478 3.400 20 0 DGADMP CCC[NH+](CCOC)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399347 1106243635 /nfs/dbraw/zinc/24/36/35/1106243635.db2.gz QGJFFUHVQOHRJO-LJQANCHMSA-N 2 1 304.478 3.400 20 0 DGADMP CN(CC[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402710 1106244559 /nfs/dbraw/zinc/24/45/59/1106244559.db2.gz ACSCISJVWATOLF-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[C@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407505 1106246111 /nfs/dbraw/zinc/24/61/11/1106246111.db2.gz AWSAIMLYPUJLSS-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@H]1COCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407505 1106246116 /nfs/dbraw/zinc/24/61/16/1106246116.db2.gz AWSAIMLYPUJLSS-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@H]1COCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407505 1106246119 /nfs/dbraw/zinc/24/61/19/1106246119.db2.gz AWSAIMLYPUJLSS-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407505 1106246125 /nfs/dbraw/zinc/24/61/25/1106246125.db2.gz AWSAIMLYPUJLSS-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410564 1106248236 /nfs/dbraw/zinc/24/82/36/1106248236.db2.gz ZDGLUCWWSJQPHR-VQIMIIECSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH2+]CCN([C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC001255409558 1106248389 /nfs/dbraw/zinc/24/83/89/1106248389.db2.gz HLTCLXXRZZJWTK-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP Cc1ccc[nH+]c1N([C@H](C)CC(F)(F)F)C1CC[NH2+]CC1 ZINC001255665024 1106290173 /nfs/dbraw/zinc/29/01/73/1106290173.db2.gz UJGSHIXNCWWKAK-GFCCVEGCSA-N 2 1 301.356 3.289 20 0 DGADMP C[C@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671742 1106291054 /nfs/dbraw/zinc/29/10/54/1106291054.db2.gz PEIUDAQJUYJPIB-BLMTVLTRSA-N 2 1 315.505 3.099 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255668072 1106291250 /nfs/dbraw/zinc/29/12/50/1106291250.db2.gz CYUHGYMFNNAIQA-TZUVLKIQSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255668072 1106291252 /nfs/dbraw/zinc/29/12/52/1106291252.db2.gz CYUHGYMFNNAIQA-TZUVLKIQSA-N 2 1 316.445 3.139 20 0 DGADMP COc1ccc(CC[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255680588 1106293667 /nfs/dbraw/zinc/29/36/67/1106293667.db2.gz AWGCWDGENYKAGU-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255680588 1106293671 /nfs/dbraw/zinc/29/36/71/1106293671.db2.gz AWGCWDGENYKAGU-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255680588 1106293673 /nfs/dbraw/zinc/29/36/73/1106293673.db2.gz AWGCWDGENYKAGU-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255680588 1106293677 /nfs/dbraw/zinc/29/36/77/1106293677.db2.gz AWGCWDGENYKAGU-JWTNVVGKSA-N 2 1 302.462 3.185 20 0 DGADMP CC1CCC([NH+]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001255680343 1106293881 /nfs/dbraw/zinc/29/38/81/1106293881.db2.gz OQQVKVOKPIKIOI-PFNPZRIDSA-N 2 1 319.537 3.198 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685054 1106294903 /nfs/dbraw/zinc/29/49/03/1106294903.db2.gz YMEWAKLTFOPXIV-YOFSQIOKSA-N 2 1 324.472 3.319 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685054 1106294907 /nfs/dbraw/zinc/29/49/07/1106294907.db2.gz YMEWAKLTFOPXIV-YOFSQIOKSA-N 2 1 324.472 3.319 20 0 DGADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255685054 1106294910 /nfs/dbraw/zinc/29/49/10/1106294910.db2.gz YMEWAKLTFOPXIV-YOFSQIOKSA-N 2 1 324.472 3.319 20 0 DGADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255685054 1106294913 /nfs/dbraw/zinc/29/49/13/1106294913.db2.gz YMEWAKLTFOPXIV-YOFSQIOKSA-N 2 1 324.472 3.319 20 0 DGADMP CN1CC[NH+](Cc2ccccc2C[NH2+]C2CCCCCC2)CC1 ZINC001255878867 1106337240 /nfs/dbraw/zinc/33/72/40/1106337240.db2.gz OTROGXCKKYJOIJ-UHFFFAOYSA-N 2 1 315.505 3.246 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC001255942169 1106345322 /nfs/dbraw/zinc/34/53/22/1106345322.db2.gz BXNMEQJORZMZRS-WMLDXEAASA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccnc1C(F)(F)F ZINC001255947467 1106346410 /nfs/dbraw/zinc/34/64/10/1106346410.db2.gz RCWSQJIBRQROOU-GFCCVEGCSA-N 2 1 303.372 3.310 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1cccc(C(=O)OC)c1 ZINC001255949310 1106347029 /nfs/dbraw/zinc/34/70/29/1106347029.db2.gz VYUNCSJEIYPYHE-HUUCEWRRSA-N 2 1 306.450 3.244 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc2nnc(C(C)C)n2c1 ZINC001255953844 1106349373 /nfs/dbraw/zinc/34/93/73/1106349373.db2.gz PRWNWUWTNMLHPI-OAHLLOKOSA-N 2 1 317.481 3.063 20 0 DGADMP CCCc1noc([C@H]2CCC[N@@H+]([C@@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964633 1106351062 /nfs/dbraw/zinc/35/10/62/1106351062.db2.gz AEHDUCXAZXUOKE-HOTGVXAUSA-N 2 1 322.497 3.322 20 0 DGADMP CCCc1noc([C@H]2CCC[N@H+]([C@@H](C)CC[NH+](CC)CC)C2)n1 ZINC001255964633 1106351068 /nfs/dbraw/zinc/35/10/68/1106351068.db2.gz AEHDUCXAZXUOKE-HOTGVXAUSA-N 2 1 322.497 3.322 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001255970475 1106352215 /nfs/dbraw/zinc/35/22/15/1106352215.db2.gz CMHZTRJQKIVMTG-QGZVFWFLSA-N 2 1 314.477 3.425 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001255965734 1106352347 /nfs/dbraw/zinc/35/23/47/1106352347.db2.gz HWIWIBCQVOQAHZ-FXAWDEMLSA-N 2 1 315.505 3.022 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001255971306 1106353249 /nfs/dbraw/zinc/35/32/49/1106353249.db2.gz IOEUJOUDSNGGGN-QGZVFWFLSA-N 3 1 318.509 3.069 20 0 DGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1(CC2CCC2)CCOCC1 ZINC001256071613 1106364078 /nfs/dbraw/zinc/36/40/78/1106364078.db2.gz HBVHELVYOSAYOM-UHFFFAOYSA-N 2 1 306.494 3.190 20 0 DGADMP COCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC(F)(F)CC1 ZINC001256071690 1106364296 /nfs/dbraw/zinc/36/42/96/1106364296.db2.gz KZJOSRYGAREGJN-UHFFFAOYSA-N 2 1 316.436 3.045 20 0 DGADMP Oc1ccc(C2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256081009 1106366738 /nfs/dbraw/zinc/36/67/38/1106366738.db2.gz KZSSKNIWGQMSCE-UHFFFAOYSA-N 2 1 300.446 3.198 20 0 DGADMP Fc1ccc(C[C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081742 1106367526 /nfs/dbraw/zinc/36/75/26/1106367526.db2.gz DBSRICKVNVLZDO-LJQANCHMSA-N 2 1 302.437 3.459 20 0 DGADMP Fc1ccc(C[C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081742 1106367530 /nfs/dbraw/zinc/36/75/30/1106367530.db2.gz DBSRICKVNVLZDO-LJQANCHMSA-N 2 1 302.437 3.459 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001256201594 1106390147 /nfs/dbraw/zinc/39/01/47/1106390147.db2.gz NHDFLUITPBOBSQ-LJQANCHMSA-N 2 1 320.452 3.367 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256300687 1106401783 /nfs/dbraw/zinc/40/17/83/1106401783.db2.gz UFJFVRWJXJOSIU-UHFFFAOYSA-N 2 1 309.885 3.368 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)cn1 ZINC001256324952 1106405941 /nfs/dbraw/zinc/40/59/41/1106405941.db2.gz ROXSROHMLSQBDF-AZUAARDMSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)cn1 ZINC001256324952 1106405944 /nfs/dbraw/zinc/40/59/44/1106405944.db2.gz ROXSROHMLSQBDF-AZUAARDMSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)cn1 ZINC001256324952 1106405949 /nfs/dbraw/zinc/40/59/49/1106405949.db2.gz ROXSROHMLSQBDF-AZUAARDMSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)cn1 ZINC001256324953 1106406296 /nfs/dbraw/zinc/40/62/96/1106406296.db2.gz ROXSROHMLSQBDF-ICSRJNTNSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)cn1 ZINC001256324953 1106406297 /nfs/dbraw/zinc/40/62/97/1106406297.db2.gz ROXSROHMLSQBDF-ICSRJNTNSA-N 2 1 324.472 3.003 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)cn1 ZINC001256324953 1106406299 /nfs/dbraw/zinc/40/62/99/1106406299.db2.gz ROXSROHMLSQBDF-ICSRJNTNSA-N 2 1 324.472 3.003 20 0 DGADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001256363768 1106410272 /nfs/dbraw/zinc/41/02/72/1106410272.db2.gz DGMIJGBIIBTLOB-MISYRCLQSA-N 2 1 322.537 3.491 20 0 DGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001256363768 1106410276 /nfs/dbraw/zinc/41/02/76/1106410276.db2.gz DGMIJGBIIBTLOB-MISYRCLQSA-N 2 1 322.537 3.491 20 0 DGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001256363768 1106410277 /nfs/dbraw/zinc/41/02/77/1106410277.db2.gz DGMIJGBIIBTLOB-MISYRCLQSA-N 2 1 322.537 3.491 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001256414390 1106417644 /nfs/dbraw/zinc/41/76/44/1106417644.db2.gz LULKVUFJJRMGGW-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001256414390 1106417646 /nfs/dbraw/zinc/41/76/46/1106417646.db2.gz LULKVUFJJRMGGW-KRWDZBQOSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520456 1106432762 /nfs/dbraw/zinc/43/27/62/1106432762.db2.gz OVEZXEFQJCJIMB-AFYVEPGGSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520456 1106432764 /nfs/dbraw/zinc/43/27/64/1106432764.db2.gz OVEZXEFQJCJIMB-AFYVEPGGSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@H](Nc2cccnc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528731 1106434010 /nfs/dbraw/zinc/43/40/10/1106434010.db2.gz KJVAWGWDXDFSNN-DOTOQJQBSA-N 2 1 310.445 3.005 20 0 DGADMP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256526579 1106434362 /nfs/dbraw/zinc/43/43/62/1106434362.db2.gz MWXIEAQSDWQWDK-QFBILLFUSA-N 2 1 322.456 3.440 20 0 DGADMP COCC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536252 1106436218 /nfs/dbraw/zinc/43/62/18/1106436218.db2.gz GBZBBCQVKXODQE-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP COCC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536252 1106436220 /nfs/dbraw/zinc/43/62/20/1106436220.db2.gz GBZBBCQVKXODQE-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543919 1106439328 /nfs/dbraw/zinc/43/93/28/1106439328.db2.gz VSUUCBPLFYDTTH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C)[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543919 1106439331 /nfs/dbraw/zinc/43/93/31/1106439331.db2.gz VSUUCBPLFYDTTH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543919 1106439334 /nfs/dbraw/zinc/43/93/34/1106439334.db2.gz VSUUCBPLFYDTTH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543919 1106439335 /nfs/dbraw/zinc/43/93/35/1106439335.db2.gz VSUUCBPLFYDTTH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551097 1106440407 /nfs/dbraw/zinc/44/04/07/1106440407.db2.gz PMYYFMTVHRIRQG-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCOCC2(C)C)CCN1Cc1ccccc1 ZINC001256551097 1106440408 /nfs/dbraw/zinc/44/04/08/1106440408.db2.gz PMYYFMTVHRIRQG-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256556254 1106444055 /nfs/dbraw/zinc/44/40/55/1106444055.db2.gz YAQQWCXTAKGBKV-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP CCO[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560839 1106444967 /nfs/dbraw/zinc/44/49/67/1106444967.db2.gz TYUNEVKJLWQROJ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560839 1106444969 /nfs/dbraw/zinc/44/49/69/1106444969.db2.gz TYUNEVKJLWQROJ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560839 1106444971 /nfs/dbraw/zinc/44/49/71/1106444971.db2.gz TYUNEVKJLWQROJ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256560839 1106444975 /nfs/dbraw/zinc/44/49/75/1106444975.db2.gz TYUNEVKJLWQROJ-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256573736 1106448580 /nfs/dbraw/zinc/44/85/80/1106448580.db2.gz MHZPBMRPWVGKBV-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CCC(=O)CC3)CC2)CC1 ZINC001256576504 1106449117 /nfs/dbraw/zinc/44/91/17/1106449117.db2.gz JSVADHAOOSNCOP-UHFFFAOYSA-N 2 1 306.494 3.475 20 0 DGADMP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@]4(C3)CCCCO4)CC2)cc1 ZINC001256605754 1106452215 /nfs/dbraw/zinc/45/22/15/1106452215.db2.gz LFUSVEILURXKAR-FQEVSTJZSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@]4(C3)CCCCO4)CC2)cc1 ZINC001256605754 1106452220 /nfs/dbraw/zinc/45/22/20/1106452220.db2.gz LFUSVEILURXKAR-FQEVSTJZSA-N 2 1 314.473 3.296 20 0 DGADMP COc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001256620791 1106455284 /nfs/dbraw/zinc/45/52/84/1106455284.db2.gz DSBSKEZDOXQPHB-RGPMPMONSA-N 2 1 300.446 3.361 20 0 DGADMP COc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001256620086 1106455442 /nfs/dbraw/zinc/45/54/42/1106455442.db2.gz PHKFHKHXKJNQML-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP Cc1ccccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256628163 1106457054 /nfs/dbraw/zinc/45/70/54/1106457054.db2.gz TUSFDPUZQQAWFE-WFFDWFOESA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628163 1106457057 /nfs/dbraw/zinc/45/70/57/1106457057.db2.gz TUSFDPUZQQAWFE-WFFDWFOESA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628163 1106457062 /nfs/dbraw/zinc/45/70/62/1106457062.db2.gz TUSFDPUZQQAWFE-WFFDWFOESA-N 2 1 300.446 3.073 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787468 1106482290 /nfs/dbraw/zinc/48/22/90/1106482290.db2.gz VZCKJRYBMZYIGD-VQTJNVASSA-N 2 1 310.441 3.368 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787468 1106482292 /nfs/dbraw/zinc/48/22/92/1106482292.db2.gz VZCKJRYBMZYIGD-VQTJNVASSA-N 2 1 310.441 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256788525 1106483135 /nfs/dbraw/zinc/48/31/35/1106483135.db2.gz ZTWGHPIXADMSMX-FQBWVUSXSA-N 2 1 300.446 3.122 20 0 DGADMP c1ccc([C@H]2COCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001256855383 1106498321 /nfs/dbraw/zinc/49/83/21/1106498321.db2.gz KTGAXYWSKPXASD-HXUWFJFHSA-N 2 1 323.440 3.124 20 0 DGADMP [NH2+]=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC001256898047 1106504855 /nfs/dbraw/zinc/50/48/55/1106504855.db2.gz JEUJZVSSLDJMTF-HNNXBMFYSA-N 2 1 307.388 3.287 20 0 DGADMP [NH3+]CC[C@H]1CN([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256900803 1106505645 /nfs/dbraw/zinc/50/56/45/1106505645.db2.gz BLNZJZWQQGMCPV-WMZOPIPTSA-N 2 1 313.489 3.346 20 0 DGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256900923 1106506190 /nfs/dbraw/zinc/50/61/90/1106506190.db2.gz CKQOTUHOJNZAOA-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256900923 1106506191 /nfs/dbraw/zinc/50/61/91/1106506191.db2.gz CKQOTUHOJNZAOA-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909191 1106508918 /nfs/dbraw/zinc/50/89/18/1106508918.db2.gz SPKPDCSGUPHWOA-LJQANCHMSA-N 3 1 321.553 3.351 20 0 DGADMP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909191 1106508921 /nfs/dbraw/zinc/50/89/21/1106508921.db2.gz SPKPDCSGUPHWOA-LJQANCHMSA-N 3 1 321.553 3.351 20 0 DGADMP C(C1CCC1)[NH+]1CCC(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909136 1106509418 /nfs/dbraw/zinc/50/94/18/1106509418.db2.gz SAXKZRPNBRGNND-LJQANCHMSA-N 2 1 319.537 3.248 20 0 DGADMP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256911839 1106510176 /nfs/dbraw/zinc/51/01/76/1106510176.db2.gz VTFZRWBTLWOEPX-DAWZGUTISA-N 3 1 307.526 3.103 20 0 DGADMP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256911839 1106510178 /nfs/dbraw/zinc/51/01/78/1106510178.db2.gz VTFZRWBTLWOEPX-DAWZGUTISA-N 3 1 307.526 3.103 20 0 DGADMP C([C@H]1CCCCN1[C@H]1CCC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC001256919632 1106512191 /nfs/dbraw/zinc/51/21/91/1106512191.db2.gz YLEAKFRZMPCAGZ-UXHICEINSA-N 2 1 319.537 3.344 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001257219032 1106553353 /nfs/dbraw/zinc/55/33/53/1106553353.db2.gz CAYNTRGHZYKVAW-GOSISDBHSA-N 2 1 306.425 3.152 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001257219032 1106553357 /nfs/dbraw/zinc/55/33/57/1106553357.db2.gz CAYNTRGHZYKVAW-GOSISDBHSA-N 2 1 306.425 3.152 20 0 DGADMP CCC[C@@H](CC)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001257247671 1106556120 /nfs/dbraw/zinc/55/61/20/1106556120.db2.gz YVSPHLLAAWDWOF-LJQANCHMSA-N 2 1 303.494 3.102 20 0 DGADMP CCCCCC1CCC(N2CC[NH+](CCCC[NH3+])CC2)CC1 ZINC001257374693 1106576141 /nfs/dbraw/zinc/57/61/41/1106576141.db2.gz IOUSTPLQGTYBEC-UHFFFAOYSA-N 2 1 309.542 3.482 20 0 DGADMP CCCCCC1CCC([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC001257375558 1106576199 /nfs/dbraw/zinc/57/61/99/1106576199.db2.gz YZOHHVUIYFVQRI-KVZIAJEVSA-N 2 1 307.526 3.138 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@H]2CCC[C@H]21 ZINC001257437054 1106588457 /nfs/dbraw/zinc/58/84/57/1106588457.db2.gz GXAZEOQSKCAVGO-CEXWTWQISA-N 2 1 302.462 3.308 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@H]2CCCSC2)CC1 ZINC001257666378 1106617087 /nfs/dbraw/zinc/61/70/87/1106617087.db2.gz LMADEDIFCYBCNZ-ULQDDVLXSA-N 2 1 305.491 3.049 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(OCc4ccccc4)CC3)C[C@@H]2C1 ZINC001257833676 1106633138 /nfs/dbraw/zinc/63/31/38/1106633138.db2.gz DYXDCHBTBWBKOZ-VCWRXUFXSA-N 2 1 314.473 3.008 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2COc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001257960542 1106652230 /nfs/dbraw/zinc/65/22/30/1106652230.db2.gz XTRZXLLTTKYWBM-XOKHGSTOSA-N 2 1 322.880 3.352 20 0 DGADMP COc1cnccc1[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC001258010633 1106658213 /nfs/dbraw/zinc/65/82/13/1106658213.db2.gz BGWCZTIVVWDLAQ-LJQANCHMSA-N 2 1 317.477 3.251 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001258017536 1106659534 /nfs/dbraw/zinc/65/95/34/1106659534.db2.gz KZQQLKNXAVIALV-QGZVFWFLSA-N 2 1 324.509 3.303 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258113527 1106675400 /nfs/dbraw/zinc/67/54/00/1106675400.db2.gz UDWJFJMTJPYHRE-AEFFLSMTSA-N 2 1 324.509 3.353 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258113527 1106675401 /nfs/dbraw/zinc/67/54/01/1106675401.db2.gz UDWJFJMTJPYHRE-AEFFLSMTSA-N 2 1 324.509 3.353 20 0 DGADMP CO[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258147212 1106680701 /nfs/dbraw/zinc/68/07/01/1106680701.db2.gz JREJEXWDQNVDRK-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP CO[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258147212 1106680704 /nfs/dbraw/zinc/68/07/04/1106680704.db2.gz JREJEXWDQNVDRK-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP CO[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC001258149833 1106680868 /nfs/dbraw/zinc/68/08/68/1106680868.db2.gz QFCQWHCWIDUYJH-PXNSSMCTSA-N 2 1 316.489 3.193 20 0 DGADMP CO[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC001258149833 1106680870 /nfs/dbraw/zinc/68/08/70/1106680870.db2.gz QFCQWHCWIDUYJH-PXNSSMCTSA-N 2 1 316.489 3.193 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1C[C@H](C)C[C@@H](C)C1)C2 ZINC001258166536 1106684444 /nfs/dbraw/zinc/68/44/44/1106684444.db2.gz WEXMHJJNPWMYAQ-HZPDHXFCSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1C[C@H](C)C[C@@H](C)C1)C2 ZINC001258166536 1106684448 /nfs/dbraw/zinc/68/44/48/1106684448.db2.gz WEXMHJJNPWMYAQ-HZPDHXFCSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1C[C@H](C)C[C@@H](C)C1)C2 ZINC001258166536 1106684449 /nfs/dbraw/zinc/68/44/49/1106684449.db2.gz WEXMHJJNPWMYAQ-HZPDHXFCSA-N 2 1 318.509 3.364 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1C[C@H](C)C[C@@H](C)C1)C2 ZINC001258166536 1106684452 /nfs/dbraw/zinc/68/44/52/1106684452.db2.gz WEXMHJJNPWMYAQ-HZPDHXFCSA-N 2 1 318.509 3.364 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258476387 1106768960 /nfs/dbraw/zinc/76/89/60/1106768960.db2.gz RISGKGVQDDAGNB-WBVHZDCISA-N 2 1 306.450 3.001 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1C[N@H+]([C@H]1CCC(C)(C)C1)CC2 ZINC001258601326 1106839126 /nfs/dbraw/zinc/83/91/26/1106839126.db2.gz UVHXYFPHMQXBTC-HNNXBMFYSA-N 2 1 318.509 3.462 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1CN([C@H]1CCC(C)(C)C1)CC2 ZINC001258601326 1106839139 /nfs/dbraw/zinc/83/91/39/1106839139.db2.gz UVHXYFPHMQXBTC-HNNXBMFYSA-N 2 1 318.509 3.462 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258653770 1106883018 /nfs/dbraw/zinc/88/30/18/1106883018.db2.gz XDYWGUDZKSTEBR-FHWLQOOXSA-N 2 1 316.489 3.369 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccnc(OC)c2)C2CC2)CC1 ZINC001258770984 1106963810 /nfs/dbraw/zinc/96/38/10/1106963810.db2.gz SMGYSSKKBQQQTR-GOSISDBHSA-N 2 1 303.450 3.005 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001258770286 1106965456 /nfs/dbraw/zinc/96/54/56/1106965456.db2.gz IPBXNONIRKWXDA-UHFFFAOYSA-N 2 1 310.445 3.108 20 0 DGADMP CCC[NH+]1CCC([NH+]2CCC(C(=O)OCC)(C(C)C)CC2)CC1 ZINC001258777400 1106970516 /nfs/dbraw/zinc/97/05/16/1106970516.db2.gz UELFPHQXIKYGAT-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)C1CCC([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC1 ZINC001258804598 1106989627 /nfs/dbraw/zinc/98/96/27/1106989627.db2.gz RZCGBEHBHYJMSE-UHFFFAOYSA-N 2 1 307.482 3.331 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CCC[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001258819033 1106999087 /nfs/dbraw/zinc/99/90/87/1106999087.db2.gz BWXRWLHMYAOVBH-CABCVRRESA-N 2 1 304.482 3.120 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CCC[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001258819034 1106999187 /nfs/dbraw/zinc/99/91/87/1106999187.db2.gz BWXRWLHMYAOVBH-GJZGRUSLSA-N 2 1 304.482 3.120 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(c2ccccc2F)COC1 ZINC001258900224 1107048717 /nfs/dbraw/zinc/04/87/17/1107048717.db2.gz FXPZNPBITVIVIM-OAHLLOKOSA-N 2 1 308.441 3.151 20 0 DGADMP CCOC(=O)C1([NH2+][C@@H](C)CCC[NH+](CC)CC)CCCCC1 ZINC001258903180 1107049657 /nfs/dbraw/zinc/04/96/57/1107049657.db2.gz MMIUSLOWFKTNIR-INIZCTEOSA-N 2 1 312.498 3.353 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(c2ccccn2)CC1 ZINC001258906846 1107051695 /nfs/dbraw/zinc/05/16/95/1107051695.db2.gz BGIPNNFNJXEMEN-GOSISDBHSA-N 2 1 318.509 3.104 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258904631 1107052421 /nfs/dbraw/zinc/05/24/21/1107052421.db2.gz OMJSDFVBGOSERC-BHIYHBOVSA-N 3 1 309.542 3.479 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258908472 1107055000 /nfs/dbraw/zinc/05/50/00/1107055000.db2.gz VYTKKAKCWHAWTO-SOUVJXGZSA-N 2 1 324.431 3.132 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC34CC[NH+](C)CC4)cc2)cn1 ZINC001321041826 1107231810 /nfs/dbraw/zinc/23/18/10/1107231810.db2.gz CUTQLUXJGNNZPL-UHFFFAOYSA-N 2 1 324.472 3.147 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)CC2 ZINC001321163243 1107270600 /nfs/dbraw/zinc/27/06/00/1107270600.db2.gz NTRBTFGKMLXYEE-BHIYHBOVSA-N 2 1 302.462 3.015 20 0 DGADMP CCCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317425349 1107349143 /nfs/dbraw/zinc/34/91/43/1107349143.db2.gz YMQSFWXWHGURAG-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317425349 1107349156 /nfs/dbraw/zinc/34/91/56/1107349156.db2.gz YMQSFWXWHGURAG-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317425349 1107349172 /nfs/dbraw/zinc/34/91/72/1107349172.db2.gz YMQSFWXWHGURAG-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1c[nH+]c2ccccc2c1NCCc1cn2c([nH+]1)CCCC2 ZINC001321701259 1107415598 /nfs/dbraw/zinc/41/55/98/1107415598.db2.gz JPEDUTDOFBUUNR-UHFFFAOYSA-N 2 1 306.413 3.153 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCC ZINC001318146040 1107861933 /nfs/dbraw/zinc/86/19/33/1107861933.db2.gz ONSHVWUPLPBHDJ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCC ZINC001318146040 1107861953 /nfs/dbraw/zinc/86/19/53/1107861953.db2.gz ONSHVWUPLPBHDJ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001318146040 1107861972 /nfs/dbraw/zinc/86/19/72/1107861972.db2.gz ONSHVWUPLPBHDJ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC(C)(C)C[NH3+])cc2)C1 ZINC001263094773 1107943717 /nfs/dbraw/zinc/94/37/17/1107943717.db2.gz RKTBCLBYDHMZNO-OAHLLOKOSA-N 2 1 317.477 3.232 20 0 DGADMP CC[N@@H+]1CC[C@H](N(C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520216 1107996783 /nfs/dbraw/zinc/99/67/83/1107996783.db2.gz JTHLCPVTWOOJIT-YOEHRIQHSA-N 2 1 306.425 3.061 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520216 1107996787 /nfs/dbraw/zinc/99/67/87/1107996787.db2.gz JTHLCPVTWOOJIT-YOEHRIQHSA-N 2 1 306.425 3.061 20 0 DGADMP CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001323722030 1108066796 /nfs/dbraw/zinc/06/67/96/1108066796.db2.gz LSHOKRSSGTVSDD-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2sccc2Br)C1 ZINC000380693596 1108069881 /nfs/dbraw/zinc/06/98/81/1108069881.db2.gz JINNSRXYAORVEQ-SNVBAGLBSA-N 2 1 303.269 3.071 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2sccc2Br)C1 ZINC000380693596 1108069895 /nfs/dbraw/zinc/06/98/95/1108069895.db2.gz JINNSRXYAORVEQ-SNVBAGLBSA-N 2 1 303.269 3.071 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001324003372 1108143517 /nfs/dbraw/zinc/14/35/17/1108143517.db2.gz GCHJANBZIBTBCX-NIKGAXFTSA-N 2 1 314.477 3.346 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001319333335 1108417927 /nfs/dbraw/zinc/41/79/27/1108417927.db2.gz FKZGNZLWUULRRZ-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333335 1108417931 /nfs/dbraw/zinc/41/79/31/1108417931.db2.gz FKZGNZLWUULRRZ-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333335 1108417934 /nfs/dbraw/zinc/41/79/34/1108417934.db2.gz FKZGNZLWUULRRZ-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333335 1108417938 /nfs/dbraw/zinc/41/79/38/1108417938.db2.gz FKZGNZLWUULRRZ-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001319333335 1108417942 /nfs/dbraw/zinc/41/79/42/1108417942.db2.gz FKZGNZLWUULRRZ-BEFAXECRSA-N 2 1 302.437 3.477 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001264674207 1108611670 /nfs/dbraw/zinc/61/16/70/1108611670.db2.gz YQQRHCMCZADISA-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266002722 1109060844 /nfs/dbraw/zinc/06/08/44/1109060844.db2.gz RAKALKWZRWCGSJ-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001282683720 1109551953 /nfs/dbraw/zinc/55/19/53/1109551953.db2.gz YFNMXUAIVZAVQQ-HPFMTEOYSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001282683720 1109551955 /nfs/dbraw/zinc/55/19/55/1109551955.db2.gz YFNMXUAIVZAVQQ-HPFMTEOYSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001282683720 1109551958 /nfs/dbraw/zinc/55/19/58/1109551958.db2.gz YFNMXUAIVZAVQQ-HPFMTEOYSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)CC(C)(C)C ZINC001290841307 1110261117 /nfs/dbraw/zinc/26/11/17/1110261117.db2.gz GQSJCIRDFLPMSJ-UHFFFAOYSA-N 2 1 317.477 3.199 20 0 DGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001306941607 1111252574 /nfs/dbraw/zinc/25/25/74/1111252574.db2.gz ILWMTQPPOAXMCE-UPJWGTAASA-N 2 1 315.383 3.301 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001307515868 1111309588 /nfs/dbraw/zinc/30/95/88/1111309588.db2.gz YYJMIFKGMHWGKY-MSOLQXFVSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001307515868 1111309593 /nfs/dbraw/zinc/30/95/93/1111309593.db2.gz YYJMIFKGMHWGKY-MSOLQXFVSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001307515868 1111309596 /nfs/dbraw/zinc/30/95/96/1111309596.db2.gz YYJMIFKGMHWGKY-MSOLQXFVSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001307705575 1111330403 /nfs/dbraw/zinc/33/04/03/1111330403.db2.gz IDWQHTCRTHRWLE-NZSAHSFTSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001307705575 1111330406 /nfs/dbraw/zinc/33/04/06/1111330406.db2.gz IDWQHTCRTHRWLE-NZSAHSFTSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC001307725711 1111331642 /nfs/dbraw/zinc/33/16/42/1111331642.db2.gz RJRXBBVHWXHMFD-UHFFFAOYSA-N 2 1 304.478 3.490 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765768 1111336445 /nfs/dbraw/zinc/33/64/45/1111336445.db2.gz DKURYLZPRKZXLA-ZWKOTPCHSA-N 2 1 306.494 3.327 20 0 DGADMP CCN(C)C[C@@H](O)C[N@@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765768 1111336439 /nfs/dbraw/zinc/33/64/39/1111336439.db2.gz DKURYLZPRKZXLA-ZWKOTPCHSA-N 2 1 306.494 3.327 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765768 1111336442 /nfs/dbraw/zinc/33/64/42/1111336442.db2.gz DKURYLZPRKZXLA-ZWKOTPCHSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765768 1111336449 /nfs/dbraw/zinc/33/64/49/1111336449.db2.gz DKURYLZPRKZXLA-ZWKOTPCHSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001307765768 1111336452 /nfs/dbraw/zinc/33/64/52/1111336452.db2.gz DKURYLZPRKZXLA-ZWKOTPCHSA-N 2 1 306.494 3.327 20 0 DGADMP Cc1ncsc1CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001307982911 1111362655 /nfs/dbraw/zinc/36/26/55/1111362655.db2.gz UGIAUNRNDFZHPM-UHFFFAOYSA-N 2 1 307.507 3.334 20 0 DGADMP C[C@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC001307978699 1111362867 /nfs/dbraw/zinc/36/28/67/1111362867.db2.gz RVNZYHWOMLXAAB-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC001307978699 1111362869 /nfs/dbraw/zinc/36/28/69/1111362869.db2.gz RVNZYHWOMLXAAB-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)COc1cccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001308012026 1111366701 /nfs/dbraw/zinc/36/67/01/1111366701.db2.gz VIXYOCYAIUZHRJ-PKOBYXMFSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001308012026 1111366704 /nfs/dbraw/zinc/36/67/04/1111366704.db2.gz VIXYOCYAIUZHRJ-PKOBYXMFSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001308012026 1111366708 /nfs/dbraw/zinc/36/67/08/1111366708.db2.gz VIXYOCYAIUZHRJ-PKOBYXMFSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001308012026 1111366711 /nfs/dbraw/zinc/36/67/11/1111366711.db2.gz VIXYOCYAIUZHRJ-PKOBYXMFSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001308012026 1111366714 /nfs/dbraw/zinc/36/67/14/1111366714.db2.gz VIXYOCYAIUZHRJ-PKOBYXMFSA-N 2 1 302.462 3.247 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001308023105 1111367046 /nfs/dbraw/zinc/36/70/46/1111367046.db2.gz FNBVMEDWTAYNOR-GUDVDZBRSA-N 2 1 318.505 3.251 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1C ZINC001308079456 1111375439 /nfs/dbraw/zinc/37/54/39/1111375439.db2.gz JHWDEZZSFZCLDS-HNNXBMFYSA-N 2 1 317.477 3.156 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1C ZINC001308079456 1111375443 /nfs/dbraw/zinc/37/54/43/1111375443.db2.gz JHWDEZZSFZCLDS-HNNXBMFYSA-N 2 1 317.477 3.156 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC001308195530 1111395269 /nfs/dbraw/zinc/39/52/69/1111395269.db2.gz JYRMGDRFYGRAOX-LJQANCHMSA-N 2 1 320.477 3.064 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC001308195530 1111395270 /nfs/dbraw/zinc/39/52/70/1111395270.db2.gz JYRMGDRFYGRAOX-LJQANCHMSA-N 2 1 320.477 3.064 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC001308204663 1111397270 /nfs/dbraw/zinc/39/72/70/1111397270.db2.gz XHHUJUKVPNMQIX-IRXDYDNUSA-N 2 1 318.509 3.141 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001308224035 1111400940 /nfs/dbraw/zinc/40/09/40/1111400940.db2.gz CYWNJRXJHBLFJQ-SJLPKXTDSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H]([NH2+]Cc1cnc2ccccn12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308367473 1111422469 /nfs/dbraw/zinc/42/24/69/1111422469.db2.gz FDXWSOZVHUAMAZ-HOTGVXAUSA-N 2 1 312.461 3.077 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1OC ZINC001308479680 1111433528 /nfs/dbraw/zinc/43/35/28/1111433528.db2.gz SVASQLWIUDAXNG-LSDHHAIUSA-N 2 1 308.466 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1C(C)(C)C ZINC001308554457 1111443302 /nfs/dbraw/zinc/44/33/02/1111443302.db2.gz GMGBNOJJTNHSAI-SOLBZPMBSA-N 2 1 316.489 3.423 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC001308575887 1111446831 /nfs/dbraw/zinc/44/68/31/1111446831.db2.gz LKEAFRCBMLVTSV-GOSISDBHSA-N 2 1 304.453 3.422 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC001308741342 1111468628 /nfs/dbraw/zinc/46/86/28/1111468628.db2.gz QZYNUDAGSDMRIG-IKGGRYGDSA-N 2 1 308.510 3.433 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(C)c1C ZINC001308742274 1111469270 /nfs/dbraw/zinc/46/92/70/1111469270.db2.gz CIVSYOIDDYEKFW-GOSISDBHSA-N 2 1 323.550 3.213 20 0 DGADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1)C[NH+](C)C ZINC001308936294 1111496401 /nfs/dbraw/zinc/49/64/01/1111496401.db2.gz VDLLXDCVEOLSLX-CEXWTWQISA-N 2 1 304.478 3.187 20 0 DGADMP CC[C@@](C)(C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC001308942636 1111497290 /nfs/dbraw/zinc/49/72/90/1111497290.db2.gz JPSNZMSCSSZIHO-AABGKKOBSA-N 2 1 316.489 3.255 20 0 DGADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1OC1CC1 ZINC001308969932 1111502374 /nfs/dbraw/zinc/50/23/74/1111502374.db2.gz YVOHTMOBMGDQSD-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1OC1CC1 ZINC001308969932 1111502376 /nfs/dbraw/zinc/50/23/76/1111502376.db2.gz YVOHTMOBMGDQSD-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccccc3)CC2)CC1 ZINC001308981462 1111504348 /nfs/dbraw/zinc/50/43/48/1111504348.db2.gz IXIRMXVHXLPUNW-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccccc32)CCCO1 ZINC000278566509 214242943 /nfs/dbraw/zinc/24/29/43/214242943.db2.gz PIWUTDIVYRTWPE-APWZRJJASA-N 2 1 302.462 3.155 20 0 DGADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]Cc3cccnc3)C2)cc1 ZINC000309951697 231107939 /nfs/dbraw/zinc/10/79/39/231107939.db2.gz GMZNVSOKZXEBNU-HXUWFJFHSA-N 2 1 309.457 3.474 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]Cc3cccnc3)C2)cc1 ZINC000309951697 231107942 /nfs/dbraw/zinc/10/79/42/231107942.db2.gz GMZNVSOKZXEBNU-HXUWFJFHSA-N 2 1 309.457 3.474 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000310009538 231109053 /nfs/dbraw/zinc/10/90/53/231109053.db2.gz JMWUJWWJWUTKQN-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000310009538 231109056 /nfs/dbraw/zinc/10/90/56/231109056.db2.gz JMWUJWWJWUTKQN-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000310009538 231109059 /nfs/dbraw/zinc/10/90/59/231109059.db2.gz JMWUJWWJWUTKQN-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278739983 214368884 /nfs/dbraw/zinc/36/88/84/214368884.db2.gz WOMPJQBCTHOZIL-AEFFLSMTSA-N 2 1 305.466 3.013 20 0 DGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278739983 214368887 /nfs/dbraw/zinc/36/88/87/214368887.db2.gz WOMPJQBCTHOZIL-AEFFLSMTSA-N 2 1 305.466 3.013 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCN2CCc3ccccc32)c2ccccc21 ZINC000321620413 231205774 /nfs/dbraw/zinc/20/57/74/231205774.db2.gz IICVOFCHJWNPQQ-OALUTQOASA-N 2 1 307.441 3.174 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN(CCCO)Cc1cccc(Cl)c1 ZINC000129331791 432004250 /nfs/dbraw/zinc/00/42/50/432004250.db2.gz HMRQUHCMMALSGE-KRWDZBQOSA-N 2 1 310.869 3.009 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCCO)Cc1cccc(Cl)c1 ZINC000129331791 432004253 /nfs/dbraw/zinc/00/42/53/432004253.db2.gz HMRQUHCMMALSGE-KRWDZBQOSA-N 2 1 310.869 3.009 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)Cc1cccc(Cl)c1 ZINC000129331791 432004256 /nfs/dbraw/zinc/00/42/56/432004256.db2.gz HMRQUHCMMALSGE-KRWDZBQOSA-N 2 1 310.869 3.009 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000129331791 432004258 /nfs/dbraw/zinc/00/42/58/432004258.db2.gz HMRQUHCMMALSGE-KRWDZBQOSA-N 2 1 310.869 3.009 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000129331791 432004260 /nfs/dbraw/zinc/00/42/60/432004260.db2.gz HMRQUHCMMALSGE-KRWDZBQOSA-N 2 1 310.869 3.009 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000178705185 282211181 /nfs/dbraw/zinc/21/11/81/282211181.db2.gz PGIPKFGRFUJWJN-KSSFIOAISA-N 2 1 315.486 3.448 20 0 DGADMP CO[C@@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000090173211 185285097 /nfs/dbraw/zinc/28/50/97/185285097.db2.gz SUXIYMYMISCGMX-OQUILHJVSA-N 2 1 310.869 3.346 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccs3)CC2)C[C@H](C)O1 ZINC000092587540 185327636 /nfs/dbraw/zinc/32/76/36/185327636.db2.gz SXWSVEGLYJIHQX-GASCZTMLSA-N 2 1 308.491 3.069 20 0 DGADMP CCSCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821033 185344103 /nfs/dbraw/zinc/34/41/03/185344103.db2.gz QDJIQHKHNLITLN-UHFFFAOYSA-N 2 1 307.507 3.373 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCOc3ccccc3)C2)C1 ZINC000292767370 529802214 /nfs/dbraw/zinc/80/22/14/529802214.db2.gz KBLVPXYMVPYNOJ-LJQANCHMSA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCOc3ccccc3)C2)C1 ZINC000292767370 529802215 /nfs/dbraw/zinc/80/22/15/529802215.db2.gz KBLVPXYMVPYNOJ-LJQANCHMSA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCCOc3ccccc3)C2)C1 ZINC000292767370 529802217 /nfs/dbraw/zinc/80/22/17/529802217.db2.gz KBLVPXYMVPYNOJ-LJQANCHMSA-N 2 1 302.462 3.263 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000294776530 529823739 /nfs/dbraw/zinc/82/37/39/529823739.db2.gz UBBXTNXXAAQWNS-BGYRXZFFSA-N 2 1 306.453 3.312 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000294776530 529823740 /nfs/dbraw/zinc/82/37/40/529823740.db2.gz UBBXTNXXAAQWNS-BGYRXZFFSA-N 2 1 306.453 3.312 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000294776530 529823741 /nfs/dbraw/zinc/82/37/41/529823741.db2.gz UBBXTNXXAAQWNS-BGYRXZFFSA-N 2 1 306.453 3.312 20 0 DGADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435612029 529927361 /nfs/dbraw/zinc/92/73/61/529927361.db2.gz VMQAJTFIUYXRFL-CYBMUJFWSA-N 2 1 316.367 3.158 20 0 DGADMP C[NH2+]C1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000430935793 529956068 /nfs/dbraw/zinc/95/60/68/529956068.db2.gz RNYNVURXRGNZLC-UHFFFAOYSA-N 2 1 304.478 3.437 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435438132 529977373 /nfs/dbraw/zinc/97/73/73/529977373.db2.gz NXEDUAQWBOWTEZ-INIZCTEOSA-N 2 1 303.837 3.462 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000430920984 530005034 /nfs/dbraw/zinc/00/50/34/530005034.db2.gz WVQUUMRRLTWQJP-MRXNPFEDSA-N 2 1 304.478 3.294 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC000435377186 530005065 /nfs/dbraw/zinc/00/50/65/530005065.db2.gz YVVGQYHBGMNMIQ-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC000435377186 530005066 /nfs/dbraw/zinc/00/50/66/530005066.db2.gz YVVGQYHBGMNMIQ-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP CC[N@@H+]1CCC[C@@H]1CNCc1ccc(Cl)c2cccnc12 ZINC000130094982 432014234 /nfs/dbraw/zinc/01/42/34/432014234.db2.gz VBHJQIZEDWSVBT-CQSZACIVSA-N 2 1 303.837 3.462 20 0 DGADMP CCOCCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272666583 210071282 /nfs/dbraw/zinc/07/12/82/210071282.db2.gz OBRXKWQIGDZAKF-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000130328173 432020916 /nfs/dbraw/zinc/02/09/16/432020916.db2.gz HLWFBVKCJXDBOA-UHFFFAOYSA-N 2 1 320.868 3.205 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287067569 219294691 /nfs/dbraw/zinc/29/46/91/219294691.db2.gz NWRIQPJZQAYCEH-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP Brc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000106868478 432023446 /nfs/dbraw/zinc/02/34/46/432023446.db2.gz RYQPGENCZVAOGI-NWDGAFQWSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000106868478 432023447 /nfs/dbraw/zinc/02/34/47/432023447.db2.gz RYQPGENCZVAOGI-NWDGAFQWSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000106868478 432023448 /nfs/dbraw/zinc/02/34/48/432023448.db2.gz RYQPGENCZVAOGI-NWDGAFQWSA-N 2 1 315.280 3.227 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000152458623 186075381 /nfs/dbraw/zinc/07/53/81/186075381.db2.gz DJFHKBRLZYAWLK-WMZOPIPTSA-N 2 1 324.472 3.066 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000268747751 186377186 /nfs/dbraw/zinc/37/71/86/186377186.db2.gz BCEFIYYPBMMJJR-ZACQAIPSSA-N 2 1 318.461 3.371 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000172166657 198050497 /nfs/dbraw/zinc/05/04/97/198050497.db2.gz FGVGKBDNORKEJJ-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000172166657 198050498 /nfs/dbraw/zinc/05/04/98/198050498.db2.gz FGVGKBDNORKEJJ-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172166657 198050499 /nfs/dbraw/zinc/05/04/99/198050499.db2.gz FGVGKBDNORKEJJ-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000172166657 198050500 /nfs/dbraw/zinc/05/05/00/198050500.db2.gz FGVGKBDNORKEJJ-PKOBYXMFSA-N 2 1 301.478 3.211 20 0 DGADMP c1cc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000173781521 198251633 /nfs/dbraw/zinc/25/16/33/198251633.db2.gz PMYICFXVSLTSEP-IBGZPJMESA-N 2 1 314.473 3.114 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000182063978 199380991 /nfs/dbraw/zinc/38/09/91/199380991.db2.gz KUGZNTHOKHADCY-RDJZCZTQSA-N 2 1 317.477 3.416 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182061061 199381535 /nfs/dbraw/zinc/38/15/35/199381535.db2.gz LVKMMSNUXMWYBF-ZIAGYGMSSA-N 2 1 314.433 3.137 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000174350280 198323202 /nfs/dbraw/zinc/32/32/02/198323202.db2.gz QLMNDEJXELDXEJ-ZDUSSCGKSA-N 2 1 323.387 3.261 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000174514352 198345262 /nfs/dbraw/zinc/34/52/62/198345262.db2.gz CLEXNYNFMDEJEM-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000174514352 198345264 /nfs/dbraw/zinc/34/52/64/198345264.db2.gz CLEXNYNFMDEJEM-NVXWUHKLSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728550 432035381 /nfs/dbraw/zinc/03/53/81/432035381.db2.gz AZOUJSPSFSQORN-NWDGAFQWSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000131728550 432035386 /nfs/dbraw/zinc/03/53/86/432035386.db2.gz AZOUJSPSFSQORN-NWDGAFQWSA-N 2 1 305.809 3.164 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277081012 213280733 /nfs/dbraw/zinc/28/07/33/213280733.db2.gz FGLXIKISXZDOHO-SFHVURJKSA-N 2 1 318.461 3.168 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277081012 213280737 /nfs/dbraw/zinc/28/07/37/213280737.db2.gz FGLXIKISXZDOHO-SFHVURJKSA-N 2 1 318.461 3.168 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000236763494 201998346 /nfs/dbraw/zinc/99/83/46/201998346.db2.gz NWZUHNGSZWYRPB-HNNXBMFYSA-N 2 1 301.434 3.405 20 0 DGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000132363749 432048861 /nfs/dbraw/zinc/04/88/61/432048861.db2.gz GGXNAFWSOXLMPK-MKXGPGLRSA-N 2 1 309.542 3.205 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CCCO2 ZINC000165272989 432054275 /nfs/dbraw/zinc/05/42/75/432054275.db2.gz JAVCKBNUCGIVAN-CRAIPNDOSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000132922832 432055629 /nfs/dbraw/zinc/05/56/29/432055629.db2.gz QVYQBIIISPPTND-WMZOPIPTSA-N 2 1 316.489 3.437 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395108 432060816 /nfs/dbraw/zinc/06/08/16/432060816.db2.gz CFBWWXBNBSJCTC-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395108 432060818 /nfs/dbraw/zinc/06/08/18/432060818.db2.gz CFBWWXBNBSJCTC-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395108 432060819 /nfs/dbraw/zinc/06/08/19/432060819.db2.gz CFBWWXBNBSJCTC-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395337 432060834 /nfs/dbraw/zinc/06/08/34/432060834.db2.gz CFBWWXBNBSJCTC-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395337 432060836 /nfs/dbraw/zinc/06/08/36/432060836.db2.gz CFBWWXBNBSJCTC-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395337 432060839 /nfs/dbraw/zinc/06/08/39/432060839.db2.gz CFBWWXBNBSJCTC-IZBJGVDFSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000166406392 432061016 /nfs/dbraw/zinc/06/10/16/432061016.db2.gz CKPXGJHMTYRZFW-HZPDHXFCSA-N 2 1 301.409 3.066 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857279 432066528 /nfs/dbraw/zinc/06/65/28/432066528.db2.gz FYLMHXSAEGCEMJ-VXIBKDFQSA-N 2 1 317.521 3.434 20 0 DGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000331386276 283265648 /nfs/dbraw/zinc/26/56/48/283265648.db2.gz HVCURTWINYQZTH-UKRRQHHQSA-N 2 1 321.490 3.352 20 0 DGADMP Cc1nccc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000133878381 432071353 /nfs/dbraw/zinc/07/13/53/432071353.db2.gz NRKCBSGEZHZMOQ-RTBURBONSA-N 2 1 322.456 3.276 20 0 DGADMP CCOCc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000179447460 199037385 /nfs/dbraw/zinc/03/73/85/199037385.db2.gz CCXKMYDGMXXBSK-UHFFFAOYSA-N 2 1 320.477 3.005 20 0 DGADMP CCOc1ccc(C2=CC[N@@H+](CCCn3ccnc3)CC2)cc1 ZINC000179661858 199071351 /nfs/dbraw/zinc/07/13/51/199071351.db2.gz GLSIHVIBBRXBRT-UHFFFAOYSA-N 2 1 311.429 3.461 20 0 DGADMP CSC[C@@H](C)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166034 199125595 /nfs/dbraw/zinc/12/55/95/199125595.db2.gz XHOYDKHOCILWIR-UBDQQSCGSA-N 2 1 304.503 3.238 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000180404427 199154170 /nfs/dbraw/zinc/15/41/70/199154170.db2.gz FPKFZOYPRFVHKP-CQSZACIVSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)CC[N@H+]1C ZINC000178187776 291146534 /nfs/dbraw/zinc/14/65/34/291146534.db2.gz ZSGOQCOMNJAZLA-VBQJREDUSA-N 2 1 309.885 3.015 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000180751159 199204419 /nfs/dbraw/zinc/20/44/19/199204419.db2.gz BKUNYJQAHIZMKE-KVSKMBFKSA-N 2 1 302.462 3.215 20 0 DGADMP COc1ccc([C@@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000180751159 199204421 /nfs/dbraw/zinc/20/44/21/199204421.db2.gz BKUNYJQAHIZMKE-KVSKMBFKSA-N 2 1 302.462 3.215 20 0 DGADMP COc1ccc([C@@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000180751159 199204422 /nfs/dbraw/zinc/20/44/22/199204422.db2.gz BKUNYJQAHIZMKE-KVSKMBFKSA-N 2 1 302.462 3.215 20 0 DGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012309 237000389 /nfs/dbraw/zinc/00/03/89/237000389.db2.gz SFZQDNJAHDKKSC-GVDBMIGSSA-N 2 1 308.416 3.231 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC000415062679 237044892 /nfs/dbraw/zinc/04/48/92/237044892.db2.gz FSNNHRUGOQTBRB-INIZCTEOSA-N 2 1 301.459 3.417 20 0 DGADMP c1ccc(OCCCC[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415060900 237046779 /nfs/dbraw/zinc/04/67/79/237046779.db2.gz ZGPXSMXNLPQVSY-VQTJNVASSA-N 2 1 310.441 3.191 20 0 DGADMP Cc1cccc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1Br ZINC000415102838 237081812 /nfs/dbraw/zinc/08/18/12/237081812.db2.gz JDOZZZOAXIYJES-OCCSQVGLSA-N 2 1 311.267 3.378 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000415122931 237093693 /nfs/dbraw/zinc/09/36/93/237093693.db2.gz IXWNWPVRXPOKFX-NVXWUHKLSA-N 2 1 320.477 3.147 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000187792629 200157801 /nfs/dbraw/zinc/15/78/01/200157801.db2.gz QFHXRRJTBGKBJV-MRXNPFEDSA-N 2 1 312.461 3.478 20 0 DGADMP c1ccc(OCCCCC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000187658818 200141056 /nfs/dbraw/zinc/14/10/56/200141056.db2.gz KHNXUADMFJSFCE-KRWDZBQOSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000187727984 200150128 /nfs/dbraw/zinc/15/01/28/200150128.db2.gz BHPHTNMYRZVPBT-INIZCTEOSA-N 2 1 310.445 3.232 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCSCc2ccccc2)CCCO1 ZINC000281088128 216070698 /nfs/dbraw/zinc/07/06/98/216070698.db2.gz JZDFUSHBAZMBAZ-QGZVFWFLSA-N 2 1 322.518 3.010 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)F)[C@H](C)C1 ZINC000188720009 200293272 /nfs/dbraw/zinc/29/32/72/200293272.db2.gz YFMTXCDQBXJBJM-UKRRQHHQSA-N 2 1 312.404 3.150 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422745310 237793560 /nfs/dbraw/zinc/79/35/60/237793560.db2.gz LYZXJPCFJZDKQZ-WFASDCNBSA-N 2 1 323.278 3.068 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCOCC1 ZINC000189204270 200363843 /nfs/dbraw/zinc/36/38/43/200363843.db2.gz RUSRXEHVILTBKD-OALUTQOASA-N 2 1 316.489 3.098 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172545 237829511 /nfs/dbraw/zinc/82/95/11/237829511.db2.gz UCAFXQQQNKSSPP-HBMCJLEFSA-N 2 1 324.468 3.395 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CC=CCC2)cc1 ZINC000281175979 216131678 /nfs/dbraw/zinc/13/16/78/216131678.db2.gz QHEMVTIZKFKGET-MRXNPFEDSA-N 2 1 310.445 3.093 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424384194 237896508 /nfs/dbraw/zinc/89/65/08/237896508.db2.gz UWXLRKMZMWZEPS-CQSZACIVSA-N 2 1 318.509 3.219 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174371 216130322 /nfs/dbraw/zinc/13/03/22/216130322.db2.gz ICNUCBNHRMIVNB-KDOFPFPSSA-N 2 1 305.441 3.382 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174371 216130325 /nfs/dbraw/zinc/13/03/25/216130325.db2.gz ICNUCBNHRMIVNB-KDOFPFPSSA-N 2 1 305.441 3.382 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000428037230 238007203 /nfs/dbraw/zinc/00/72/03/238007203.db2.gz JINPDSLQVVYQGB-AZUAARDMSA-N 2 1 310.441 3.293 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429245456 238044899 /nfs/dbraw/zinc/04/48/99/238044899.db2.gz CMEGQBMCPMCNTN-UHFFFAOYSA-N 2 1 316.327 3.113 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430924299 238090375 /nfs/dbraw/zinc/09/03/75/238090375.db2.gz ACNXUMONQHYHSF-INIZCTEOSA-N 2 1 312.413 3.138 20 0 DGADMP C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000430940280 238090537 /nfs/dbraw/zinc/09/05/37/238090537.db2.gz OGNWFBIAWLNMPY-IINYFYTJSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000430940280 238090538 /nfs/dbraw/zinc/09/05/38/238090538.db2.gz OGNWFBIAWLNMPY-IINYFYTJSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430940279 238090701 /nfs/dbraw/zinc/09/07/01/238090701.db2.gz OGNWFBIAWLNMPY-HZMBPMFUSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430940279 238090702 /nfs/dbraw/zinc/09/07/02/238090702.db2.gz OGNWFBIAWLNMPY-HZMBPMFUSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430962484 238090813 /nfs/dbraw/zinc/09/08/13/238090813.db2.gz GZKUOKUHTAFEIP-ABAIWWIYSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430962484 238090814 /nfs/dbraw/zinc/09/08/14/238090814.db2.gz GZKUOKUHTAFEIP-ABAIWWIYSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000430955332 238090906 /nfs/dbraw/zinc/09/09/06/238090906.db2.gz LYEMOKGJAHYZPR-QAPCUYQASA-N 2 1 304.478 3.422 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc3ccccc32)CCCO1 ZINC000432368180 238126309 /nfs/dbraw/zinc/12/63/09/238126309.db2.gz LBHOBAOWMQASTL-QGZVFWFLSA-N 2 1 312.457 3.430 20 0 DGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432406890 238127650 /nfs/dbraw/zinc/12/76/50/238127650.db2.gz JGNUCFSBDACRLP-IRXDYDNUSA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432406890 238127652 /nfs/dbraw/zinc/12/76/52/238127652.db2.gz JGNUCFSBDACRLP-IRXDYDNUSA-N 2 1 320.477 3.237 20 0 DGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432416082 238127866 /nfs/dbraw/zinc/12/78/66/238127866.db2.gz FKGNUVFEBNGLBA-ROUUACIJSA-N 2 1 304.478 3.455 20 0 DGADMP CC(C)(C)c1cnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000134934989 432091293 /nfs/dbraw/zinc/09/12/93/432091293.db2.gz BTHQMPCBHKHLLP-GDBMZVCRSA-N 2 1 317.477 3.421 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cc2)n1 ZINC000435604777 238325000 /nfs/dbraw/zinc/32/50/00/238325000.db2.gz BKWDPXPKVVXGOZ-SFHVURJKSA-N 2 1 312.461 3.063 20 0 DGADMP C[C@H](CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000194449505 201228343 /nfs/dbraw/zinc/22/83/43/201228343.db2.gz LZLNREKXQHAJEH-IEBWSBKVSA-N 2 1 304.478 3.007 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000442758302 239120201 /nfs/dbraw/zinc/12/02/01/239120201.db2.gz ADTDDKJCUQYXRO-DOTOQJQBSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000442784703 239123435 /nfs/dbraw/zinc/12/34/35/239123435.db2.gz VXTKFXBQJOFFBJ-ZWKOTPCHSA-N 2 1 324.468 3.462 20 0 DGADMP C[C@H]1[C@@H](NCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340180798 291289066 /nfs/dbraw/zinc/28/90/66/291289066.db2.gz MTGKAEQHHYJMBT-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1[C@@H]([NH2+]CCC[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000340180798 291289067 /nfs/dbraw/zinc/28/90/67/291289067.db2.gz MTGKAEQHHYJMBT-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000271842428 209259463 /nfs/dbraw/zinc/25/94/63/209259463.db2.gz RCTQIKDTJJCMOL-UHFFFAOYSA-N 2 1 302.315 3.196 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000268547846 432102566 /nfs/dbraw/zinc/10/25/66/432102566.db2.gz MNBYVRPFUHXMEV-ZWKOTPCHSA-N 2 1 302.462 3.359 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CC3=CC[N@@H+](C)CC3)s2)cc1 ZINC000271814567 209238577 /nfs/dbraw/zinc/23/85/77/209238577.db2.gz BWDSOJMZHSJBBS-UHFFFAOYSA-N 2 1 313.470 3.470 20 0 DGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000246183414 432103623 /nfs/dbraw/zinc/10/36/23/432103623.db2.gz CJVILJUQGDVFSL-KBXCAEBGSA-N 2 1 311.429 3.338 20 0 DGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000246183414 432103626 /nfs/dbraw/zinc/10/36/26/432103626.db2.gz CJVILJUQGDVFSL-KBXCAEBGSA-N 2 1 311.429 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000271803747 209231105 /nfs/dbraw/zinc/23/11/05/209231105.db2.gz PPIZRFOVLVTKSE-HNNXBMFYSA-N 2 1 309.417 3.118 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000449129303 240030572 /nfs/dbraw/zinc/03/05/72/240030572.db2.gz UZMKYOMBMOCDQO-BPQIPLTHSA-N 2 1 322.518 3.037 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000449129303 240030576 /nfs/dbraw/zinc/03/05/76/240030576.db2.gz UZMKYOMBMOCDQO-BPQIPLTHSA-N 2 1 322.518 3.037 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000449150812 240040552 /nfs/dbraw/zinc/04/05/52/240040552.db2.gz UCCILFITWYPIJR-NNFUDEMPSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449162079 240046350 /nfs/dbraw/zinc/04/63/50/240046350.db2.gz IADUCVYEGYXFFS-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449162079 240046353 /nfs/dbraw/zinc/04/63/53/240046353.db2.gz IADUCVYEGYXFFS-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000449402635 240179615 /nfs/dbraw/zinc/17/96/15/240179615.db2.gz SDUOUKMHVBTOSC-MLGOLLRUSA-N 2 1 314.832 3.178 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000091285195 193031273 /nfs/dbraw/zinc/03/12/73/193031273.db2.gz CBZIFOGCKJYAJR-HXUWFJFHSA-N 2 1 317.521 3.391 20 0 DGADMP CC(C)OCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189947490 432108142 /nfs/dbraw/zinc/10/81/42/432108142.db2.gz WYCIJZUKPHXBSU-JJTKIYQPSA-N 2 1 304.478 3.158 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000271786807 209214402 /nfs/dbraw/zinc/21/44/02/209214402.db2.gz FUNDXVPULSAQLH-UHFFFAOYSA-N 2 1 316.779 3.293 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)nc2C)C[C@H]1C ZINC000455505495 242220093 /nfs/dbraw/zinc/22/00/93/242220093.db2.gz XFOCWPMZXZEWDH-ZBFHGGJFSA-N 2 1 318.465 3.343 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043477 284004254 /nfs/dbraw/zinc/00/42/54/284004254.db2.gz UAULYZXGXANAPL-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043477 284004255 /nfs/dbraw/zinc/00/42/55/284004255.db2.gz UAULYZXGXANAPL-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043477 284004256 /nfs/dbraw/zinc/00/42/56/284004256.db2.gz UAULYZXGXANAPL-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253364 193180920 /nfs/dbraw/zinc/18/09/20/193180920.db2.gz QFPHBNALAPQUBG-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253364 193180922 /nfs/dbraw/zinc/18/09/22/193180922.db2.gz QFPHBNALAPQUBG-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253364 193180923 /nfs/dbraw/zinc/18/09/23/193180923.db2.gz QFPHBNALAPQUBG-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253364 193180925 /nfs/dbraw/zinc/18/09/25/193180925.db2.gz QFPHBNALAPQUBG-INIZCTEOSA-N 2 1 312.461 3.159 20 0 DGADMP COCCSc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000459392587 243356582 /nfs/dbraw/zinc/35/65/82/243356582.db2.gz LRAMIGVLRXMDQL-AWEZNQCLSA-N 2 1 319.474 3.052 20 0 DGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000459466935 243381502 /nfs/dbraw/zinc/38/15/02/243381502.db2.gz PLOOSUWEYJKOLG-LJQANCHMSA-N 2 1 314.473 3.066 20 0 DGADMP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000459405898 243361303 /nfs/dbraw/zinc/36/13/03/243361303.db2.gz OIDWECGHQCZXFB-FQEVSTJZSA-N 2 1 319.537 3.248 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OCCC(C)C ZINC000469860078 244130392 /nfs/dbraw/zinc/13/03/92/244130392.db2.gz FAUTXVGPRJJJEG-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1cccc(Br)c1 ZINC000469885782 244131731 /nfs/dbraw/zinc/13/17/31/244131731.db2.gz VTFBJHVPIQOIPB-XTBFLFJDSA-N 2 1 323.278 3.222 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)s2)cc1 ZINC000469856736 244128881 /nfs/dbraw/zinc/12/88/81/244128881.db2.gz PHOHHVBUISGMGR-ZIAGYGMSSA-N 2 1 301.459 3.288 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275099510 212119741 /nfs/dbraw/zinc/11/97/41/212119741.db2.gz CKMMTJMQBHAAQZ-FRYIKTPZSA-N 2 1 316.489 3.038 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471028737 244202220 /nfs/dbraw/zinc/20/22/20/244202220.db2.gz LYMIAMMZZXYGHB-BGYRXZFFSA-N 2 1 322.452 3.129 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471028737 244202224 /nfs/dbraw/zinc/20/22/24/244202224.db2.gz LYMIAMMZZXYGHB-BGYRXZFFSA-N 2 1 322.452 3.129 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471028737 244202228 /nfs/dbraw/zinc/20/22/28/244202228.db2.gz LYMIAMMZZXYGHB-BGYRXZFFSA-N 2 1 322.452 3.129 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471028737 244202231 /nfs/dbraw/zinc/20/22/31/244202231.db2.gz LYMIAMMZZXYGHB-BGYRXZFFSA-N 2 1 322.452 3.129 20 0 DGADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262110468 203200973 /nfs/dbraw/zinc/20/09/73/203200973.db2.gz GYTSOMSRKJJFGK-DNVCBOLYSA-N 2 1 317.477 3.375 20 0 DGADMP CC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CC)C3)COC2)C1 ZINC000119316630 284140448 /nfs/dbraw/zinc/14/04/48/284140448.db2.gz SLIPEAQSLIJGTR-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CN(c1ccccc1C[N@@H+](C)C1CCC1)C1CC[NH+](C)CC1 ZINC000093475838 193257582 /nfs/dbraw/zinc/25/75/82/193257582.db2.gz CUWXTJDILNZFSX-UHFFFAOYSA-N 2 1 301.478 3.201 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770761 193303235 /nfs/dbraw/zinc/30/32/35/193303235.db2.gz YCFCDCSHFFIXEJ-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770761 193303236 /nfs/dbraw/zinc/30/32/36/193303236.db2.gz YCFCDCSHFFIXEJ-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770761 193303237 /nfs/dbraw/zinc/30/32/37/193303237.db2.gz YCFCDCSHFFIXEJ-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770761 193303238 /nfs/dbraw/zinc/30/32/38/193303238.db2.gz YCFCDCSHFFIXEJ-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996631 193337049 /nfs/dbraw/zinc/33/70/49/193337049.db2.gz XXYRJMMWFDVARA-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000093840104 193315828 /nfs/dbraw/zinc/31/58/28/193315828.db2.gz ONEIASBUNWOVDX-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP C[NH+](C[C@@H]1CCOC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093840104 193315830 /nfs/dbraw/zinc/31/58/30/193315830.db2.gz ONEIASBUNWOVDX-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP C[NH+](C[C@@H]1CCOC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093840104 193315831 /nfs/dbraw/zinc/31/58/31/193315831.db2.gz ONEIASBUNWOVDX-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP CCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000093844515 193317940 /nfs/dbraw/zinc/31/79/40/193317940.db2.gz ZQELMBDQLRZTGX-QGZVFWFLSA-N 2 1 318.509 3.380 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000094070373 193343559 /nfs/dbraw/zinc/34/35/59/193343559.db2.gz PRFHFKQFLQTHCK-UHFFFAOYSA-N 2 1 317.260 3.323 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(CO)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913254 212028740 /nfs/dbraw/zinc/02/87/40/212028740.db2.gz NOTFZEUSWFFYIM-DYESRHJHSA-N 2 1 324.468 3.179 20 0 DGADMP Cc1cccc(N2CCC([NH2+]C/C=C\c3ccncc3)CC2)[nH+]1 ZINC000487268680 245041183 /nfs/dbraw/zinc/04/11/83/245041183.db2.gz DDWRLSNBYKJTSC-HYXAFXHYSA-N 2 1 308.429 3.057 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)CC(C)C ZINC000488074054 245141903 /nfs/dbraw/zinc/14/19/03/245141903.db2.gz MCXYBBOTIWQQMR-FJIDUMEYSA-N 2 1 308.510 3.290 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@H](C)C1 ZINC000488443235 245193294 /nfs/dbraw/zinc/19/32/94/245193294.db2.gz GIDTYBMCIDZFMK-AEFFLSMTSA-N 2 1 308.510 3.436 20 0 DGADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282462638 217013208 /nfs/dbraw/zinc/01/32/08/217013208.db2.gz OQPRGLPYVKOMFP-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282462638 217013210 /nfs/dbraw/zinc/01/32/10/217013210.db2.gz OQPRGLPYVKOMFP-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124320859 284257260 /nfs/dbraw/zinc/25/72/60/284257260.db2.gz NURMRWGLNYQVAR-SFHVURJKSA-N 2 1 317.521 3.228 20 0 DGADMP c1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000264841955 204201706 /nfs/dbraw/zinc/20/17/06/204201706.db2.gz GWGFVLFIEHVDIO-LJQANCHMSA-N 2 1 314.473 3.299 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000125441865 284276109 /nfs/dbraw/zinc/27/61/09/284276109.db2.gz AADYWKBMPUHWLD-UHFFFAOYSA-N 2 1 323.444 3.289 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000125441865 284276111 /nfs/dbraw/zinc/27/61/11/284276111.db2.gz AADYWKBMPUHWLD-UHFFFAOYSA-N 2 1 323.444 3.289 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc2c(c1)OCO2 ZINC000125462390 284276620 /nfs/dbraw/zinc/27/66/20/284276620.db2.gz WVOSDMUEXZNPAD-UHFFFAOYSA-N 2 1 315.417 3.223 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc2c(c1)OCO2 ZINC000125462390 284276623 /nfs/dbraw/zinc/27/66/23/284276623.db2.gz WVOSDMUEXZNPAD-UHFFFAOYSA-N 2 1 315.417 3.223 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000125732508 284282331 /nfs/dbraw/zinc/28/23/31/284282331.db2.gz LFXLAIPPXFYWFC-GOSISDBHSA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000125732508 284282332 /nfs/dbraw/zinc/28/23/32/284282332.db2.gz LFXLAIPPXFYWFC-GOSISDBHSA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000125732508 284282333 /nfs/dbraw/zinc/28/23/33/284282333.db2.gz LFXLAIPPXFYWFC-GOSISDBHSA-N 3 1 321.553 3.494 20 0 DGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000282522363 217059337 /nfs/dbraw/zinc/05/93/37/217059337.db2.gz YGUMOLSXPHXHGJ-CQSZACIVSA-N 2 1 309.885 3.017 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000126868034 284319395 /nfs/dbraw/zinc/31/93/95/284319395.db2.gz JOBSYYIJISPJLV-JZXOWHBKSA-N 2 1 322.518 3.365 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000126868034 284319400 /nfs/dbraw/zinc/31/94/00/284319400.db2.gz JOBSYYIJISPJLV-JZXOWHBKSA-N 2 1 322.518 3.365 20 0 DGADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000127392758 284337654 /nfs/dbraw/zinc/33/76/54/284337654.db2.gz ZSGDHYOTUHPAHH-LJQANCHMSA-N 2 1 315.461 3.101 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000127392758 284337657 /nfs/dbraw/zinc/33/76/57/284337657.db2.gz ZSGDHYOTUHPAHH-LJQANCHMSA-N 2 1 315.461 3.101 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000127392758 284337660 /nfs/dbraw/zinc/33/76/60/284337660.db2.gz ZSGDHYOTUHPAHH-LJQANCHMSA-N 2 1 315.461 3.101 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000266176807 205160221 /nfs/dbraw/zinc/16/02/21/205160221.db2.gz TWZABEBQZYBCLD-DOTOQJQBSA-N 2 1 320.477 3.304 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000266176807 205160224 /nfs/dbraw/zinc/16/02/24/205160224.db2.gz TWZABEBQZYBCLD-DOTOQJQBSA-N 2 1 320.477 3.304 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268765421 432128712 /nfs/dbraw/zinc/12/87/12/432128712.db2.gz NOYPBGYKIYLBAC-AZUAARDMSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765421 432128718 /nfs/dbraw/zinc/12/87/18/432128718.db2.gz NOYPBGYKIYLBAC-AZUAARDMSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765421 432128722 /nfs/dbraw/zinc/12/87/22/432128722.db2.gz NOYPBGYKIYLBAC-AZUAARDMSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999886 217378747 /nfs/dbraw/zinc/37/87/47/217378747.db2.gz NTITXENNBBBJEE-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999886 217378748 /nfs/dbraw/zinc/37/87/48/217378748.db2.gz NTITXENNBBBJEE-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP Brc1ccc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000020128845 182189898 /nfs/dbraw/zinc/18/98/98/182189898.db2.gz CWMZPYHNXSSUBW-UHFFFAOYSA-N 2 1 317.296 3.476 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cscc2C)[C@@H](C)C1 ZINC000494449604 246149930 /nfs/dbraw/zinc/14/99/30/246149930.db2.gz BWMXOCFGKWISIN-YOEHRIQHSA-N 2 1 310.507 3.283 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C)c2C)[C@@H](C)C1 ZINC000494509768 246157756 /nfs/dbraw/zinc/15/77/56/246157756.db2.gz UHTYULPSZVJLES-FUHWJXTLSA-N 2 1 304.478 3.392 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000494954310 246215850 /nfs/dbraw/zinc/21/58/50/246215850.db2.gz RCGVYWUGFCKPIW-AWEZNQCLSA-N 2 1 316.898 3.334 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000495125728 246238357 /nfs/dbraw/zinc/23/83/57/246238357.db2.gz CBSGFXVZPLPIJX-HKUYNNGSSA-N 2 1 302.462 3.247 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000246505340 432137871 /nfs/dbraw/zinc/13/78/71/432137871.db2.gz SUXIYMYMISCGMX-BQGCOEIASA-N 2 1 310.869 3.346 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC3C[C@H](C)C[C@@H](C)C3)C2)CC1 ZINC000246508761 432140675 /nfs/dbraw/zinc/14/06/75/432140675.db2.gz SQAFXKSODLPJDS-QWFCFKBJSA-N 2 1 321.553 3.161 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246534975 432141178 /nfs/dbraw/zinc/14/11/78/432141178.db2.gz SABZUAPEAQTDPB-FGTMMUONSA-N 2 1 323.525 3.055 20 0 DGADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000268887161 432146730 /nfs/dbraw/zinc/14/67/30/432146730.db2.gz NZXZVCUECVIKCI-ZIFCJYIRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000268887161 432146736 /nfs/dbraw/zinc/14/67/36/432146736.db2.gz NZXZVCUECVIKCI-ZIFCJYIRSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000136185153 432148460 /nfs/dbraw/zinc/14/84/60/432148460.db2.gz UVLNGOIOGVZRHD-MRXNPFEDSA-N 2 1 322.880 3.193 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000042440748 183270381 /nfs/dbraw/zinc/27/03/81/183270381.db2.gz NSJZANONGVECMQ-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP OC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000284394384 218009546 /nfs/dbraw/zinc/00/95/46/218009546.db2.gz PIFGJKQLPOQKRD-REPLKXPHSA-N 2 1 314.473 3.077 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000105443255 194104592 /nfs/dbraw/zinc/10/45/92/194104592.db2.gz RQYOHWJTHHVBLF-OAHLLOKOSA-N 2 1 323.444 3.112 20 0 DGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn[nH]c1 ZINC000285070715 218279005 /nfs/dbraw/zinc/27/90/05/218279005.db2.gz JGFUTSLEJJTLGJ-OLMMMNRUSA-N 2 1 312.461 3.217 20 0 DGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000285140842 218307151 /nfs/dbraw/zinc/30/71/51/218307151.db2.gz LWSOEGLADPBIET-YUKKFIBKSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000285270355 218359927 /nfs/dbraw/zinc/35/99/27/218359927.db2.gz QSGNLDHKAWHMCN-YNIZLOQISA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000268855938 207023723 /nfs/dbraw/zinc/02/37/23/207023723.db2.gz CUMOAJLFDKUIDN-MJGOQNOKSA-N 2 1 304.478 3.191 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000268855935 207025101 /nfs/dbraw/zinc/02/51/01/207025101.db2.gz CUMOAJLFDKUIDN-IEBWSBKVSA-N 2 1 304.478 3.191 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268885377 207055503 /nfs/dbraw/zinc/05/55/03/207055503.db2.gz NTWOABFPUHEPNS-UWJYYQICSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000268885377 207055506 /nfs/dbraw/zinc/05/55/06/207055506.db2.gz NTWOABFPUHEPNS-UWJYYQICSA-N 2 1 324.468 3.322 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CCO)C(C)C)cc1 ZINC000268889552 207058636 /nfs/dbraw/zinc/05/86/36/207058636.db2.gz MDPCUYLDYCOAQB-KBXCAEBGSA-N 2 1 301.434 3.238 20 0 DGADMP CCOCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268905270 207073188 /nfs/dbraw/zinc/07/31/88/207073188.db2.gz XPZDTWIOYUCHCN-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268905270 207073192 /nfs/dbraw/zinc/07/31/92/207073192.db2.gz XPZDTWIOYUCHCN-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902964 207071769 /nfs/dbraw/zinc/07/17/69/207071769.db2.gz PABYBRLHOZTFSF-BMFZPTHFSA-N 2 1 306.450 3.227 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902964 207071773 /nfs/dbraw/zinc/07/17/73/207071773.db2.gz PABYBRLHOZTFSF-BMFZPTHFSA-N 2 1 306.450 3.227 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268912955 207080476 /nfs/dbraw/zinc/08/04/76/207080476.db2.gz ZEQDVIMZDUGWKG-MRXNPFEDSA-N 2 1 323.444 3.177 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNc2ccccn2)cc1 ZINC000268979246 207139637 /nfs/dbraw/zinc/13/96/37/207139637.db2.gz KBZUSVFJWJXTQB-HNNXBMFYSA-N 2 1 321.428 3.338 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(Br)cs1)C[NH+]1CCCC1 ZINC000057994325 184065659 /nfs/dbraw/zinc/06/56/59/184065659.db2.gz FPKJTRCUBQPYFG-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000269006363 207161351 /nfs/dbraw/zinc/16/13/51/207161351.db2.gz MSNCKJLFDXWSRS-SPLQCWDRSA-N 2 1 302.462 3.391 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000248685263 285017826 /nfs/dbraw/zinc/01/78/26/285017826.db2.gz GLDUFYKPAAJKOM-GDBMZVCRSA-N 2 1 306.498 3.329 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000248685263 285017828 /nfs/dbraw/zinc/01/78/28/285017828.db2.gz GLDUFYKPAAJKOM-GDBMZVCRSA-N 2 1 306.498 3.329 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272840591 252834217 /nfs/dbraw/zinc/83/42/17/252834217.db2.gz RGDJBJZUWILEHI-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249250168 285064464 /nfs/dbraw/zinc/06/44/64/285064464.db2.gz BXARWAYSZSWXBO-SWLSCSKDSA-N 2 1 311.267 3.330 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CC)c2)[C@H](C)C1 ZINC000249367835 285070098 /nfs/dbraw/zinc/07/00/98/285070098.db2.gz OOIRNKAYMIZVAD-YLJYHZDGSA-N 2 1 318.505 3.476 20 0 DGADMP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OCC ZINC000337240874 253068586 /nfs/dbraw/zinc/06/85/86/253068586.db2.gz GQCXZAZGOUNSLX-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OCC ZINC000337240874 253068587 /nfs/dbraw/zinc/06/85/87/253068587.db2.gz GQCXZAZGOUNSLX-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337444421 253117195 /nfs/dbraw/zinc/11/71/95/253117195.db2.gz ZLMFEKLUOSBATQ-ZIAGYGMSSA-N 2 1 301.381 3.112 20 0 DGADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430565392 533046716 /nfs/dbraw/zinc/04/67/16/533046716.db2.gz FSACHJCBGSWRRU-CQSZACIVSA-N 2 1 323.506 3.042 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000337942885 253197308 /nfs/dbraw/zinc/19/73/08/253197308.db2.gz BFRKMCNWXNFROU-UHFFFAOYSA-N 2 1 312.442 3.495 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000338275438 253254517 /nfs/dbraw/zinc/25/45/17/253254517.db2.gz IQONPFCDWYRZDO-IBGZPJMESA-N 2 1 304.478 3.090 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)CC[C@@H]21 ZINC000158973749 197314846 /nfs/dbraw/zinc/31/48/46/197314846.db2.gz CYLBRLUWGOPXQB-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)CC[C@@H]21 ZINC000158973749 197314847 /nfs/dbraw/zinc/31/48/47/197314847.db2.gz CYLBRLUWGOPXQB-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)CC[C@@H]21 ZINC000158973749 197314849 /nfs/dbraw/zinc/31/48/49/197314849.db2.gz CYLBRLUWGOPXQB-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP CC[N@H+](Cc1cccs1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299060 285121203 /nfs/dbraw/zinc/12/12/03/285121203.db2.gz GEPZABQMAJPIBR-HNNXBMFYSA-N 2 1 304.459 3.321 20 0 DGADMP COC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000338969340 253380897 /nfs/dbraw/zinc/38/08/97/253380897.db2.gz XPSWMQYYLGOHFQ-ABHNRTSZSA-N 2 1 302.462 3.054 20 0 DGADMP COC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000338969340 253380898 /nfs/dbraw/zinc/38/08/98/253380898.db2.gz XPSWMQYYLGOHFQ-ABHNRTSZSA-N 2 1 302.462 3.054 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158615875 197288828 /nfs/dbraw/zinc/28/88/28/197288828.db2.gz MGBAXVPAMABZCH-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158615875 197288830 /nfs/dbraw/zinc/28/88/30/197288830.db2.gz MGBAXVPAMABZCH-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP CSc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158615875 197288832 /nfs/dbraw/zinc/28/88/32/197288832.db2.gz MGBAXVPAMABZCH-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337398921 285147050 /nfs/dbraw/zinc/14/70/50/285147050.db2.gz CLXDTGIZJGMDFN-DFEOGRTESA-N 2 1 308.510 3.434 20 0 DGADMP CN(Cc1ccccc1OC(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342546353 254004840 /nfs/dbraw/zinc/00/48/40/254004840.db2.gz NSWGTOBAZZAQBG-CYBMUJFWSA-N 2 1 316.367 3.359 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)C(C)(C)C ZINC000342734902 254039292 /nfs/dbraw/zinc/03/92/92/254039292.db2.gz VEZXOSFGESRYON-OAHLLOKOSA-N 2 1 306.498 3.230 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000342812700 254057204 /nfs/dbraw/zinc/05/72/04/254057204.db2.gz MDGXXWWCABWGDF-CABCVRRESA-N 2 1 308.853 3.455 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000342812700 254057206 /nfs/dbraw/zinc/05/72/06/254057206.db2.gz MDGXXWWCABWGDF-CABCVRRESA-N 2 1 308.853 3.455 20 0 DGADMP CCO[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860135 254066829 /nfs/dbraw/zinc/06/68/29/254066829.db2.gz NUUPZUISDBEPGR-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860135 254066831 /nfs/dbraw/zinc/06/68/31/254066831.db2.gz NUUPZUISDBEPGR-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000343134130 254103955 /nfs/dbraw/zinc/10/39/55/254103955.db2.gz SPNCYQJJDKYPFD-QGZVFWFLSA-N 2 1 309.457 3.267 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000343491739 254151420 /nfs/dbraw/zinc/15/14/20/254151420.db2.gz BQZHFIRFWVOAIL-AWEZNQCLSA-N 2 1 308.491 3.170 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2cnccn2)CC1)CC1CC1 ZINC000343558520 254160448 /nfs/dbraw/zinc/16/04/48/254160448.db2.gz WOUVEHRVSXAKBD-MRXNPFEDSA-N 2 1 316.493 3.372 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000157300777 197178129 /nfs/dbraw/zinc/17/81/29/197178129.db2.gz LGHUXJFLLLELAY-APWZRJJASA-N 2 1 322.468 3.095 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(OC)c1 ZINC000343707091 254179782 /nfs/dbraw/zinc/17/97/82/254179782.db2.gz CYYNINGBWKWNHV-SJLPKXTDSA-N 2 1 305.466 3.080 20 0 DGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343835951 254194661 /nfs/dbraw/zinc/19/46/61/254194661.db2.gz NKVUQGODWOKIEV-CHWSQXEVSA-N 2 1 323.868 3.213 20 0 DGADMP CN(CCC[N@@H+](C)Cc1csc2ccccc12)CC[NH+](C)C ZINC000344027361 254214420 /nfs/dbraw/zinc/21/44/20/254214420.db2.gz LBOZGGRVBIAGGB-UHFFFAOYSA-N 2 1 319.518 3.217 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028045 254215590 /nfs/dbraw/zinc/21/55/90/254215590.db2.gz LWTGRRLFHOBQNZ-OAHLLOKOSA-N 2 1 311.901 3.216 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344197878 254237976 /nfs/dbraw/zinc/23/79/76/254237976.db2.gz NRFAKBQCAPXRBI-MISYRCLQSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344197878 254237977 /nfs/dbraw/zinc/23/79/77/254237977.db2.gz NRFAKBQCAPXRBI-MISYRCLQSA-N 2 1 316.489 3.039 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)o1 ZINC000344002166 254211322 /nfs/dbraw/zinc/21/13/22/254211322.db2.gz XBERFHJRGQHKNW-AWEZNQCLSA-N 2 1 317.433 3.028 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000157075141 197160009 /nfs/dbraw/zinc/16/00/09/197160009.db2.gz QVZLGLYGKSIKJQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000157075141 197160010 /nfs/dbraw/zinc/16/00/10/197160010.db2.gz QVZLGLYGKSIKJQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157075141 197160012 /nfs/dbraw/zinc/16/00/12/197160012.db2.gz QVZLGLYGKSIKJQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000157075141 197160014 /nfs/dbraw/zinc/16/00/14/197160014.db2.gz QVZLGLYGKSIKJQ-UHOSZYNNSA-N 2 1 302.462 3.150 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3CC=CCC3)CCCC2)CC1 ZINC000344483009 254276069 /nfs/dbraw/zinc/27/60/69/254276069.db2.gz LFVHQUHIPWVJIK-QGZVFWFLSA-N 2 1 306.494 3.356 20 0 DGADMP Clc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000345245990 254344968 /nfs/dbraw/zinc/34/49/68/254344968.db2.gz ABCBHFCFBBSHNY-BQFCYCMXSA-N 2 1 319.880 3.135 20 0 DGADMP C[C@H](CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208642 197095750 /nfs/dbraw/zinc/09/57/50/197095750.db2.gz OGOLPJBPXRRHQH-MLYOOKFZSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CCN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208642 197095752 /nfs/dbraw/zinc/09/57/52/197095752.db2.gz OGOLPJBPXRRHQH-MLYOOKFZSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CCN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208642 197095754 /nfs/dbraw/zinc/09/57/54/197095754.db2.gz OGOLPJBPXRRHQH-MLYOOKFZSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208642 197095755 /nfs/dbraw/zinc/09/57/55/197095755.db2.gz OGOLPJBPXRRHQH-MLYOOKFZSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208642 197095757 /nfs/dbraw/zinc/09/57/57/197095757.db2.gz OGOLPJBPXRRHQH-MLYOOKFZSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208642 197095759 /nfs/dbraw/zinc/09/57/59/197095759.db2.gz OGOLPJBPXRRHQH-MLYOOKFZSA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208642 197095761 /nfs/dbraw/zinc/09/57/61/197095761.db2.gz OGOLPJBPXRRHQH-MLYOOKFZSA-N 3 1 317.521 3.215 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000156214605 197095225 /nfs/dbraw/zinc/09/52/25/197095225.db2.gz LQJIEWOUEXTLSW-DLBZAZTESA-N 2 1 314.477 3.464 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000156214605 197095226 /nfs/dbraw/zinc/09/52/26/197095226.db2.gz LQJIEWOUEXTLSW-DLBZAZTESA-N 2 1 314.477 3.464 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278978564 285220693 /nfs/dbraw/zinc/22/06/93/285220693.db2.gz OKFVQSGUXAHQFE-WBVHZDCISA-N 2 1 311.429 3.257 20 0 DGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)c1OC ZINC000349403059 285344103 /nfs/dbraw/zinc/34/41/03/285344103.db2.gz BMXQPFVHSMPTRI-UHFFFAOYSA-N 2 1 317.433 3.039 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)c1OC ZINC000349403059 285344104 /nfs/dbraw/zinc/34/41/04/285344104.db2.gz BMXQPFVHSMPTRI-UHFFFAOYSA-N 2 1 317.433 3.039 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352534759 285353249 /nfs/dbraw/zinc/35/32/49/285353249.db2.gz IWBPKZRFQLFPQV-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352534759 285353253 /nfs/dbraw/zinc/35/32/53/285353253.db2.gz IWBPKZRFQLFPQV-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000352539817 285355354 /nfs/dbraw/zinc/35/53/54/285355354.db2.gz CZQWVWXACYHMOY-LBPRGKRZSA-N 2 1 302.340 3.130 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000352539817 285355355 /nfs/dbraw/zinc/35/53/55/285355355.db2.gz CZQWVWXACYHMOY-LBPRGKRZSA-N 2 1 302.340 3.130 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000121046551 195286828 /nfs/dbraw/zinc/28/68/28/195286828.db2.gz OHCJRAPTVVFNJG-OTWHNJEPSA-N 2 1 314.473 3.056 20 0 DGADMP CCOCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121812121 195352905 /nfs/dbraw/zinc/35/29/05/195352905.db2.gz PZAUKAJWJCDUJN-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121812121 195352907 /nfs/dbraw/zinc/35/29/07/195352907.db2.gz PZAUKAJWJCDUJN-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121812121 195352909 /nfs/dbraw/zinc/35/29/09/195352909.db2.gz PZAUKAJWJCDUJN-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121812121 195352911 /nfs/dbraw/zinc/35/29/11/195352911.db2.gz PZAUKAJWJCDUJN-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[N@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000469293684 285376588 /nfs/dbraw/zinc/37/65/88/285376588.db2.gz IKTSVCKUCMPZFI-RTBURBONSA-N 2 1 321.553 3.495 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)[C@H](C)C1 ZINC000178188161 285376652 /nfs/dbraw/zinc/37/66/52/285376652.db2.gz IGVFVDLFGCMZHM-OLMNPRSZSA-N 2 1 323.912 3.263 20 0 DGADMP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309790000 533467601 /nfs/dbraw/zinc/46/76/01/533467601.db2.gz OKSKAWNUWNREOZ-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309790000 533467608 /nfs/dbraw/zinc/46/76/08/533467608.db2.gz OKSKAWNUWNREOZ-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000165296225 292878493 /nfs/dbraw/zinc/87/84/93/292878493.db2.gz UUTAYJUGWMCMKB-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423469450 292007788 /nfs/dbraw/zinc/00/77/88/292007788.db2.gz FWEXXOAEVBWSIQ-ZBFHGGJFSA-N 2 1 324.415 3.352 20 0 DGADMP COC(=O)c1coc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000447535300 292033526 /nfs/dbraw/zinc/03/35/26/292033526.db2.gz FBTFNZITRXHOMM-CABCVRRESA-N 2 1 322.449 3.371 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000608500864 400080792 /nfs/dbraw/zinc/08/07/92/400080792.db2.gz KLMPINYTWGJFLG-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000608500864 400080798 /nfs/dbraw/zinc/08/07/98/400080798.db2.gz KLMPINYTWGJFLG-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cc(C)cc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000608500864 400080799 /nfs/dbraw/zinc/08/07/99/400080799.db2.gz KLMPINYTWGJFLG-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cc(C)cc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000608500864 400080804 /nfs/dbraw/zinc/08/08/04/400080804.db2.gz KLMPINYTWGJFLG-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000322823320 400175529 /nfs/dbraw/zinc/17/55/29/400175529.db2.gz HKBCIRIOQNXPNG-NUEKZKHPSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000322823320 400175538 /nfs/dbraw/zinc/17/55/38/400175538.db2.gz HKBCIRIOQNXPNG-NUEKZKHPSA-N 2 1 315.392 3.040 20 0 DGADMP COc1ccsc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066346 400151821 /nfs/dbraw/zinc/15/18/21/400151821.db2.gz QIKCWXDFUXYHCE-UKRRQHHQSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066346 400151825 /nfs/dbraw/zinc/15/18/25/400151825.db2.gz QIKCWXDFUXYHCE-UKRRQHHQSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066346 400151826 /nfs/dbraw/zinc/15/18/26/400151826.db2.gz QIKCWXDFUXYHCE-UKRRQHHQSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066346 400151830 /nfs/dbraw/zinc/15/18/30/400151830.db2.gz QIKCWXDFUXYHCE-UKRRQHHQSA-N 2 1 306.475 3.205 20 0 DGADMP Cc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000067384777 400167164 /nfs/dbraw/zinc/16/71/64/400167164.db2.gz KVLYUUDEAGYQPL-GOSISDBHSA-N 2 1 310.445 3.418 20 0 DGADMP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000067384777 400167170 /nfs/dbraw/zinc/16/71/70/400167170.db2.gz KVLYUUDEAGYQPL-GOSISDBHSA-N 2 1 310.445 3.418 20 0 DGADMP CSC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000590053595 400351115 /nfs/dbraw/zinc/35/11/15/400351115.db2.gz MLGWEEBYSIWBOD-QGZVFWFLSA-N 2 1 322.518 3.202 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000112638951 400375689 /nfs/dbraw/zinc/37/56/89/400375689.db2.gz RNTPCIJGFBGDGM-HXUWFJFHSA-N 2 1 323.484 3.052 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000590786304 400433798 /nfs/dbraw/zinc/43/37/98/400433798.db2.gz ONSVJXQNNBVRPJ-UHFFFAOYSA-N 2 1 308.441 3.257 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591869478 400567708 /nfs/dbraw/zinc/56/77/08/400567708.db2.gz YTKZYPVQHHDREZ-AWEZNQCLSA-N 2 1 307.344 3.322 20 0 DGADMP FC(F)Oc1ccccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000591869478 400567714 /nfs/dbraw/zinc/56/77/14/400567714.db2.gz YTKZYPVQHHDREZ-AWEZNQCLSA-N 2 1 307.344 3.322 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000133126213 400567785 /nfs/dbraw/zinc/56/77/85/400567785.db2.gz JMVAFAGVVCEKNW-GOSISDBHSA-N 2 1 324.509 3.308 20 0 DGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)cnc21 ZINC000591869425 400568144 /nfs/dbraw/zinc/56/81/44/400568144.db2.gz VMKOLPQOAAIFOG-QGZVFWFLSA-N 2 1 324.432 3.046 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@@H]3Cc4ccccc4CO3)CC[NH2+]2)cc1 ZINC000629514908 400952572 /nfs/dbraw/zinc/95/25/72/400952572.db2.gz VQTCWTAABFWTNA-PCCBWWKXSA-N 2 1 322.452 3.211 20 0 DGADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960891 400912545 /nfs/dbraw/zinc/91/25/45/400912545.db2.gz PJFTWNNLEDYPHI-SJORKVTESA-N 2 1 318.461 3.143 20 0 DGADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000598960891 400912550 /nfs/dbraw/zinc/91/25/50/400912550.db2.gz PJFTWNNLEDYPHI-SJORKVTESA-N 2 1 318.461 3.143 20 0 DGADMP CCc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561678 400977948 /nfs/dbraw/zinc/97/79/48/400977948.db2.gz KIYIAOAHZXRZQQ-HZPDHXFCSA-N 2 1 314.395 3.251 20 0 DGADMP CCc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563653 400978349 /nfs/dbraw/zinc/97/83/49/400978349.db2.gz QANSMVOSHROFEF-HUUCEWRRSA-N 2 1 300.368 3.208 20 0 DGADMP CCOCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629575743 400980078 /nfs/dbraw/zinc/98/00/78/400980078.db2.gz QIRJRMPPLUIDAX-VQIMIIECSA-N 2 1 302.462 3.012 20 0 DGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@@H]([NH3+])CO)cc2)cc1 ZINC000629702967 401049001 /nfs/dbraw/zinc/04/90/01/401049001.db2.gz YEQWKGBMWLSMOI-QRWLVFNGSA-N 2 1 310.441 3.330 20 0 DGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC[NH2+]C)c2)cc1 ZINC000629707329 401051929 /nfs/dbraw/zinc/05/19/29/401051929.db2.gz JYIXHYBAKDTMNP-IBGZPJMESA-N 2 1 312.461 3.144 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657562 401022322 /nfs/dbraw/zinc/02/23/22/401022322.db2.gz ZTPACGBTNMAHKA-MFKMUULPSA-N 2 1 306.397 3.270 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657562 401022330 /nfs/dbraw/zinc/02/23/30/401022330.db2.gz ZTPACGBTNMAHKA-MFKMUULPSA-N 2 1 306.397 3.270 20 0 DGADMP CC(C)(C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629656561 401023034 /nfs/dbraw/zinc/02/30/34/401023034.db2.gz OXRFDJOLZKSUII-ZFWWWQNUSA-N 2 1 314.395 3.423 20 0 DGADMP CC(C)(C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629656561 401023042 /nfs/dbraw/zinc/02/30/42/401023042.db2.gz OXRFDJOLZKSUII-ZFWWWQNUSA-N 2 1 314.395 3.423 20 0 DGADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2Cl)s1 ZINC000629665492 401027402 /nfs/dbraw/zinc/02/74/02/401027402.db2.gz VUEWFMSYBZRZBE-UHFFFAOYSA-N 2 1 324.877 3.476 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358234361 286006133 /nfs/dbraw/zinc/00/61/33/286006133.db2.gz WUSVNUZCENODLX-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358234361 286006136 /nfs/dbraw/zinc/00/61/36/286006136.db2.gz WUSVNUZCENODLX-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)n1 ZINC000358244562 286009550 /nfs/dbraw/zinc/00/95/50/286009550.db2.gz YYJAQUWQZBVEQL-RVKKMQEKSA-N 2 1 306.498 3.200 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)n1 ZINC000358244562 286009551 /nfs/dbraw/zinc/00/95/51/286009551.db2.gz YYJAQUWQZBVEQL-RVKKMQEKSA-N 2 1 306.498 3.200 20 0 DGADMP CCOc1cncc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000621331970 401169342 /nfs/dbraw/zinc/16/93/42/401169342.db2.gz WSIOGRQQSPSVQP-UHFFFAOYSA-N 2 1 317.477 3.225 20 0 DGADMP CCCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000621335216 401170760 /nfs/dbraw/zinc/17/07/60/401170760.db2.gz FRHBKAIOAWFLIK-HNNXBMFYSA-N 2 1 310.507 3.027 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000088684416 401204576 /nfs/dbraw/zinc/20/45/76/401204576.db2.gz IRYUXUXCXZYGGL-QFBILLFUSA-N 2 1 312.461 3.007 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000089269450 401214997 /nfs/dbraw/zinc/21/49/97/401214997.db2.gz PMLCEXGDOOWSRG-UHFFFAOYSA-N 2 1 317.521 3.268 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000608499823 401263914 /nfs/dbraw/zinc/26/39/14/401263914.db2.gz UDXRGZIQISEKQK-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000608499823 401263916 /nfs/dbraw/zinc/26/39/16/401263916.db2.gz UDXRGZIQISEKQK-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC000090585505 401269215 /nfs/dbraw/zinc/26/92/15/401269215.db2.gz HOKBWCLYJOEMRV-YOEHRIQHSA-N 2 1 304.482 3.112 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)n1 ZINC000090585505 401269219 /nfs/dbraw/zinc/26/92/19/401269219.db2.gz HOKBWCLYJOEMRV-YOEHRIQHSA-N 2 1 304.482 3.112 20 0 DGADMP COCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090536952 401269376 /nfs/dbraw/zinc/26/93/76/401269376.db2.gz FHRQXYPGKZGTKC-UHFFFAOYSA-N 2 1 316.489 3.100 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)n1 ZINC000090585510 401269443 /nfs/dbraw/zinc/26/94/43/401269443.db2.gz HOKBWCLYJOEMRV-RHSMWYFYSA-N 2 1 304.482 3.112 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)n1 ZINC000090585510 401269445 /nfs/dbraw/zinc/26/94/45/401269445.db2.gz HOKBWCLYJOEMRV-RHSMWYFYSA-N 2 1 304.482 3.112 20 0 DGADMP CC(C)(C)C1CCC(O)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000089583992 401226758 /nfs/dbraw/zinc/22/67/58/401226758.db2.gz JOGGDRGQMLXXGT-VZDIDWBNSA-N 2 1 308.510 3.170 20 0 DGADMP COC[C@@H](C)[N@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626132963 401308986 /nfs/dbraw/zinc/30/89/86/401308986.db2.gz DLRJZGUKWAGNJO-BEFAXECRSA-N 2 1 313.445 3.216 20 0 DGADMP COC[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626132963 401308989 /nfs/dbraw/zinc/30/89/89/401308989.db2.gz DLRJZGUKWAGNJO-BEFAXECRSA-N 2 1 313.445 3.216 20 0 DGADMP COc1ccc2nc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)sc2c1 ZINC000634733713 401340972 /nfs/dbraw/zinc/34/09/72/401340972.db2.gz LVXAILBXASAMTO-GFCCVEGCSA-N 2 1 319.474 3.173 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000634733140 401341310 /nfs/dbraw/zinc/34/13/10/401341310.db2.gz XSEWCMIZLYZFOA-HNNXBMFYSA-N 2 1 319.468 3.294 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000634733141 401341348 /nfs/dbraw/zinc/34/13/48/401341348.db2.gz XSEWCMIZLYZFOA-OAHLLOKOSA-N 2 1 319.468 3.294 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000631043360 401376424 /nfs/dbraw/zinc/37/64/24/401376424.db2.gz SUOHHGPWPQYIFS-HZPDHXFCSA-N 2 1 317.477 3.103 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634959359 401388970 /nfs/dbraw/zinc/38/89/70/401388970.db2.gz OHNAZPQHRPQPGA-UHFFFAOYSA-N 2 1 300.450 3.232 20 0 DGADMP Nc1ccc(-c2cccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000634991023 401397105 /nfs/dbraw/zinc/39/71/05/401397105.db2.gz MKCFEVAWQTZSDU-UHFFFAOYSA-N 2 1 322.456 3.047 20 0 DGADMP Nc1ccc(-c2cccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000634991023 401397108 /nfs/dbraw/zinc/39/71/08/401397108.db2.gz MKCFEVAWQTZSDU-UHFFFAOYSA-N 2 1 322.456 3.047 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)[C@@H]1CC[NH3+] ZINC000634996677 401397597 /nfs/dbraw/zinc/39/75/97/401397597.db2.gz QMNTZJOOUVKVFV-MGPUTAFESA-N 2 1 324.472 3.280 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005677 401400453 /nfs/dbraw/zinc/40/04/53/401400453.db2.gz JXALDPIMLUSTQK-HNBVOPMISA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005677 401400454 /nfs/dbraw/zinc/40/04/54/401400454.db2.gz JXALDPIMLUSTQK-HNBVOPMISA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000635008763 401402059 /nfs/dbraw/zinc/40/20/59/401402059.db2.gz VCPNXGYIOSIOTN-QGZVKYPTSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000635008763 401402062 /nfs/dbraw/zinc/40/20/62/401402062.db2.gz VCPNXGYIOSIOTN-QGZVKYPTSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccncc1F ZINC000631194783 401422506 /nfs/dbraw/zinc/42/25/06/401422506.db2.gz PNMNWUAEUOLAID-MAUKXSAKSA-N 2 1 313.420 3.078 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631196781 401423490 /nfs/dbraw/zinc/42/34/90/401423490.db2.gz VEHUJVFMZGZYPR-RSPOEFSDSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631197076 401423531 /nfs/dbraw/zinc/42/35/31/401423531.db2.gz WVWBLTAUBCUMCC-WMLDXEAASA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631197076 401423532 /nfs/dbraw/zinc/42/35/32/401423532.db2.gz WVWBLTAUBCUMCC-WMLDXEAASA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631197078 401423643 /nfs/dbraw/zinc/42/36/43/401423643.db2.gz WVWBLTAUBCUMCC-YOEHRIQHSA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631197078 401423644 /nfs/dbraw/zinc/42/36/44/401423644.db2.gz WVWBLTAUBCUMCC-YOEHRIQHSA-N 2 1 315.486 3.309 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCSCC1 ZINC000631196282 401423767 /nfs/dbraw/zinc/42/37/67/401423767.db2.gz PTUXIJZIUKAGHI-WBVHZDCISA-N 2 1 304.503 3.240 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000631199810 401424455 /nfs/dbraw/zinc/42/44/55/401424455.db2.gz RPXYQNJNCCOMAC-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000631199810 401424457 /nfs/dbraw/zinc/42/44/57/401424457.db2.gz RPXYQNJNCCOMAC-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH+](C)CC(C)(C)C)c2C1 ZINC000635483681 401447431 /nfs/dbraw/zinc/44/74/31/401447431.db2.gz QDCAUHNUXBOSJF-UHFFFAOYSA-N 2 1 317.477 3.329 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH+](C)CC(C)(C)C)c2C1 ZINC000635483681 401447433 /nfs/dbraw/zinc/44/74/33/401447433.db2.gz QDCAUHNUXBOSJF-UHFFFAOYSA-N 2 1 317.477 3.329 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)C[N@H+](C)CC(C)(C)C)c2C1 ZINC000635483681 401447434 /nfs/dbraw/zinc/44/74/34/401447434.db2.gz QDCAUHNUXBOSJF-UHFFFAOYSA-N 2 1 317.477 3.329 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c2C1 ZINC000635483681 401447436 /nfs/dbraw/zinc/44/74/36/401447436.db2.gz QDCAUHNUXBOSJF-UHFFFAOYSA-N 2 1 317.477 3.329 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572304 401501608 /nfs/dbraw/zinc/50/16/08/401501608.db2.gz OXDGNMJWARIRNI-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631572304 401501611 /nfs/dbraw/zinc/50/16/11/401501611.db2.gz OXDGNMJWARIRNI-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000631578597 401504043 /nfs/dbraw/zinc/50/40/43/401504043.db2.gz XBTINYPEPRETGK-BEFAXECRSA-N 2 1 302.462 3.393 20 0 DGADMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)ccc1Cl ZINC000623429843 401515899 /nfs/dbraw/zinc/51/58/99/401515899.db2.gz SIBXBDJDVRZKJI-UHFFFAOYSA-N 2 1 307.825 3.424 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000631662273 401528272 /nfs/dbraw/zinc/52/82/72/401528272.db2.gz DGWOCHXEYFMNGL-WDSOQIARSA-N 2 1 304.478 3.015 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000631663771 401528521 /nfs/dbraw/zinc/52/85/21/401528521.db2.gz LJDDZHDLTHDOSN-LNLFQRSKSA-N 2 1 316.489 3.302 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628133574 401530535 /nfs/dbraw/zinc/53/05/35/401530535.db2.gz JEPNBIFSBHETSK-UHFFFAOYSA-N 2 1 305.466 3.496 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000623654507 401562121 /nfs/dbraw/zinc/56/21/21/401562121.db2.gz BDDAHFQZEUVZOU-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623655988 401563079 /nfs/dbraw/zinc/56/30/79/401563079.db2.gz KOSZIGHMBXZWTN-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000623657282 401563211 /nfs/dbraw/zinc/56/32/11/401563211.db2.gz MQUQFQRTJJEDGK-AOIWGVFYSA-N 2 1 301.478 3.429 20 0 DGADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C2CCCCC2)n1 ZINC000623657130 401563218 /nfs/dbraw/zinc/56/32/18/401563218.db2.gz KGRLFGBIDHPWKM-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C2CCCCC2)n1 ZINC000623657130 401563220 /nfs/dbraw/zinc/56/32/20/401563220.db2.gz KGRLFGBIDHPWKM-MRXNPFEDSA-N 2 1 318.509 3.289 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000623656587 401563703 /nfs/dbraw/zinc/56/37/03/401563703.db2.gz XUQKBXLAXSIECI-CYBMUJFWSA-N 2 1 318.490 3.095 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000623656587 401563705 /nfs/dbraw/zinc/56/37/05/401563705.db2.gz XUQKBXLAXSIECI-CYBMUJFWSA-N 2 1 318.490 3.095 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000628281127 401567179 /nfs/dbraw/zinc/56/71/79/401567179.db2.gz BZTNJJUPTCDWBF-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000628281127 401567181 /nfs/dbraw/zinc/56/71/81/401567181.db2.gz BZTNJJUPTCDWBF-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Cl ZINC000628281127 401567182 /nfs/dbraw/zinc/56/71/82/401567182.db2.gz BZTNJJUPTCDWBF-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1Cl ZINC000628281127 401567185 /nfs/dbraw/zinc/56/71/85/401567185.db2.gz BZTNJJUPTCDWBF-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP Cc1cccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)c1 ZINC000623888741 401594575 /nfs/dbraw/zinc/59/45/75/401594575.db2.gz SARCJEAJCLQDNT-HXUWFJFHSA-N 2 1 317.521 3.309 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628174059 401542470 /nfs/dbraw/zinc/54/24/70/401542470.db2.gz VLPQRSKLIBCKPP-AWEZNQCLSA-N 2 1 300.368 3.131 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC1(C)C ZINC000623569308 401548097 /nfs/dbraw/zinc/54/80/97/401548097.db2.gz AZSIZGWAJVMMFI-BZSNNMDCSA-N 2 1 302.462 3.022 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628202337 401549628 /nfs/dbraw/zinc/54/96/28/401549628.db2.gz PJBGZWMVKARGCI-LJQANCHMSA-N 2 1 317.521 3.106 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000624119620 401628502 /nfs/dbraw/zinc/62/85/02/401628502.db2.gz GINDLTSZUNHVSY-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121203 401628535 /nfs/dbraw/zinc/62/85/35/401628535.db2.gz QAYZTDOGEIMXMR-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624121203 401628536 /nfs/dbraw/zinc/62/85/36/401628536.db2.gz QAYZTDOGEIMXMR-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121203 401628537 /nfs/dbraw/zinc/62/85/37/401628537.db2.gz QAYZTDOGEIMXMR-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121757 401629427 /nfs/dbraw/zinc/62/94/27/401629427.db2.gz CLSKYLPJOVFWIF-HZPDHXFCSA-N 2 1 314.477 3.206 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624124131 401629458 /nfs/dbraw/zinc/62/94/58/401629458.db2.gz XWWGFOZJLHNTSH-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000624124131 401629460 /nfs/dbraw/zinc/62/94/60/401629460.db2.gz XWWGFOZJLHNTSH-QWHCGFSZSA-N 2 1 311.857 3.126 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1C(C)(C)C ZINC000624123728 401629716 /nfs/dbraw/zinc/62/97/16/401629716.db2.gz ROKTYZQINRXGQZ-GOEBONIOSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000624123728 401629719 /nfs/dbraw/zinc/62/97/19/401629719.db2.gz ROKTYZQINRXGQZ-GOEBONIOSA-N 2 1 306.498 3.329 20 0 DGADMP Fc1ccccc1-c1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000358515623 286082033 /nfs/dbraw/zinc/08/20/33/286082033.db2.gz ZWJOXRUHKBXIHF-UHFFFAOYSA-N 2 1 315.392 3.056 20 0 DGADMP Fc1cccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)co2)c1 ZINC000358520502 286082787 /nfs/dbraw/zinc/08/27/87/286082787.db2.gz VIPXSTJFODDFMZ-UHFFFAOYSA-N 2 1 315.392 3.056 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C[NH2+]1 ZINC000629397093 401683752 /nfs/dbraw/zinc/68/37/52/401683752.db2.gz SKGYYXVSHMAAPL-LYRGGWFBSA-N 2 1 323.278 3.037 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)n(C)n2)CC1)CC(C)C ZINC000358744181 286139666 /nfs/dbraw/zinc/13/96/66/286139666.db2.gz IFPKHVZNOIMRCZ-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358915421 286186448 /nfs/dbraw/zinc/18/64/48/286186448.db2.gz ONYBHEQJIVLICA-NVXWUHKLSA-N 2 1 304.482 3.042 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359039568 286221550 /nfs/dbraw/zinc/22/15/50/286221550.db2.gz VCWXMPSBOSDIDM-QXAKKESOSA-N 2 1 304.478 3.097 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359039568 286221551 /nfs/dbraw/zinc/22/15/51/286221551.db2.gz VCWXMPSBOSDIDM-QXAKKESOSA-N 2 1 304.478 3.097 20 0 DGADMP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359115137 286240595 /nfs/dbraw/zinc/24/05/95/286240595.db2.gz LNOFZYPTDLYSEV-SFHVURJKSA-N 2 1 302.462 3.187 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1OC ZINC000359225428 286264452 /nfs/dbraw/zinc/26/44/52/286264452.db2.gz UAKLFDHYMRYEKI-KRWDZBQOSA-N 2 1 318.461 3.230 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422784317 292255397 /nfs/dbraw/zinc/25/53/97/292255397.db2.gz NZHHTCPFCZCTRS-HAGHYFMRSA-N 2 1 315.505 3.108 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]2C ZINC000359535804 286329556 /nfs/dbraw/zinc/32/95/56/286329556.db2.gz IXCBZXQWWDQXLO-YQQAZPJKSA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]2C ZINC000359535804 286329558 /nfs/dbraw/zinc/32/95/58/286329558.db2.gz IXCBZXQWWDQXLO-YQQAZPJKSA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]2C ZINC000359535804 286329560 /nfs/dbraw/zinc/32/95/60/286329560.db2.gz IXCBZXQWWDQXLO-YQQAZPJKSA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414786212 286366862 /nfs/dbraw/zinc/36/68/62/286366862.db2.gz UHGBWFNVKDTDTR-NJAFHUGGSA-N 2 1 302.462 3.120 20 0 DGADMP CCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000360154255 286432757 /nfs/dbraw/zinc/43/27/57/286432757.db2.gz PZIMDAKVUVMWIC-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](CCCc2ccsc2)CC1 ZINC000360919274 286554524 /nfs/dbraw/zinc/55/45/24/286554524.db2.gz QKGQXACBUDZSPB-UHFFFAOYSA-N 2 1 303.475 3.369 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362914981 286875762 /nfs/dbraw/zinc/87/57/62/286875762.db2.gz XMNSUCAHDUNFCN-GFCCVEGCSA-N 2 1 300.381 3.238 20 0 DGADMP C([NH2+]C1CCC2(CC2)CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000362929408 286877627 /nfs/dbraw/zinc/87/76/27/286877627.db2.gz DKJNAWZXNOAIBE-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000363940436 286973343 /nfs/dbraw/zinc/97/33/43/286973343.db2.gz SYFMCYWLDAHZIT-AOIWGVFYSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449131180 287020319 /nfs/dbraw/zinc/02/03/19/287020319.db2.gz KOTXWXAGUVNZAR-ZHALLVOQSA-N 2 1 309.542 3.064 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000364358393 287017726 /nfs/dbraw/zinc/01/77/26/287017726.db2.gz LSHHSFCZSBSQJT-AQNXPRMDSA-N 2 1 321.553 3.303 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187290752 165084793 /nfs/dbraw/zinc/08/47/93/165084793.db2.gz DRSVSNAYHJRJKW-JGNHQEBTSA-N 2 1 311.429 3.399 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000192574210 165296987 /nfs/dbraw/zinc/29/69/87/165296987.db2.gz DJYIVTMBLHJZBH-BXWFABGCSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Cl ZINC000193010284 165314810 /nfs/dbraw/zinc/31/48/10/165314810.db2.gz VNGNURQHDLDFKU-FFHGMXDLSA-N 2 1 308.853 3.322 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194448480 165346401 /nfs/dbraw/zinc/34/64/01/165346401.db2.gz WUQJUBNRBHSZMG-LPHOPBHVSA-N 2 1 300.446 3.494 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129319803 196039223 /nfs/dbraw/zinc/03/92/23/196039223.db2.gz SGLQURSJTNWJKX-JSGCOSHPSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129319803 196039225 /nfs/dbraw/zinc/03/92/25/196039225.db2.gz SGLQURSJTNWJKX-JSGCOSHPSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCCOCc1ccccc1)CC[NH2+]CC2 ZINC000424302380 287236862 /nfs/dbraw/zinc/23/68/62/287236862.db2.gz ZHXKNMGKQIGWFX-QGZVFWFLSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000190505930 432165393 /nfs/dbraw/zinc/16/53/93/432165393.db2.gz OIRCYFIALNVNDI-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP CC[N@H+]1CC[C@H](NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886762 432177994 /nfs/dbraw/zinc/17/79/94/432177994.db2.gz DQTVWKDMCAXQEG-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886762 432177998 /nfs/dbraw/zinc/17/79/98/432177998.db2.gz DQTVWKDMCAXQEG-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H](NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886762 432178002 /nfs/dbraw/zinc/17/80/02/432178002.db2.gz DQTVWKDMCAXQEG-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886762 432178007 /nfs/dbraw/zinc/17/80/07/432178007.db2.gz DQTVWKDMCAXQEG-BJLQDIEVSA-N 3 1 317.521 3.217 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886762 432178011 /nfs/dbraw/zinc/17/80/11/432178011.db2.gz DQTVWKDMCAXQEG-BJLQDIEVSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886762 432178013 /nfs/dbraw/zinc/17/80/13/432178013.db2.gz DQTVWKDMCAXQEG-BJLQDIEVSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246886762 432178018 /nfs/dbraw/zinc/17/80/18/432178018.db2.gz DQTVWKDMCAXQEG-BJLQDIEVSA-N 3 1 317.521 3.217 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)COCc2ccccc2)[C@H](C)C1 ZINC000246864174 432175036 /nfs/dbraw/zinc/17/50/36/432175036.db2.gz CDLFPUVWYMTFLY-SCTDSRPQSA-N 2 1 304.478 3.159 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000182437278 432189974 /nfs/dbraw/zinc/18/99/74/432189974.db2.gz PCBDUFRLTSQOGC-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000182437278 432189979 /nfs/dbraw/zinc/18/99/79/432189979.db2.gz PCBDUFRLTSQOGC-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182437278 432189982 /nfs/dbraw/zinc/18/99/82/432189982.db2.gz PCBDUFRLTSQOGC-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1C ZINC000247003955 432190619 /nfs/dbraw/zinc/19/06/19/432190619.db2.gz KVMIXUSOLMHQQP-KZNAEPCWSA-N 2 1 303.494 3.140 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2ccccc2OC)CC1 ZINC000182532683 432201526 /nfs/dbraw/zinc/20/15/26/432201526.db2.gz NAHZXDAUUMZVNE-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOCc1ccccc1 ZINC000182555402 432202310 /nfs/dbraw/zinc/20/23/10/432202310.db2.gz KYXFYQIFHFREEE-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOCc1ccccc1 ZINC000182555402 432202315 /nfs/dbraw/zinc/20/23/15/432202315.db2.gz KYXFYQIFHFREEE-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP CSC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000150996406 432209518 /nfs/dbraw/zinc/20/95/18/432209518.db2.gz NAKRNLFOYKBHNI-AWEZNQCLSA-N 2 1 310.482 3.174 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000182563630 432204427 /nfs/dbraw/zinc/20/44/27/432204427.db2.gz VBIFONJRKKOASP-MSOLQXFVSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182563630 432204433 /nfs/dbraw/zinc/20/44/33/432204433.db2.gz VBIFONJRKKOASP-MSOLQXFVSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000182563630 432204436 /nfs/dbraw/zinc/20/44/36/432204436.db2.gz VBIFONJRKKOASP-MSOLQXFVSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000182563609 432204593 /nfs/dbraw/zinc/20/45/93/432204593.db2.gz VBIFONJRKKOASP-ROUUACIJSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000182563609 432204597 /nfs/dbraw/zinc/20/45/97/432204597.db2.gz VBIFONJRKKOASP-ROUUACIJSA-N 2 1 302.462 3.044 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000182563609 432204601 /nfs/dbraw/zinc/20/46/01/432204601.db2.gz VBIFONJRKKOASP-ROUUACIJSA-N 2 1 302.462 3.044 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247146511 432204902 /nfs/dbraw/zinc/20/49/02/432204902.db2.gz SPLMWIYUYDYQJN-VXGBXAGGSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247146511 432204904 /nfs/dbraw/zinc/20/49/04/432204904.db2.gz SPLMWIYUYDYQJN-VXGBXAGGSA-N 2 1 316.367 3.420 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000151132580 432221536 /nfs/dbraw/zinc/22/15/36/432221536.db2.gz BTDZAJURDSVHIM-HNNXBMFYSA-N 2 1 309.417 3.118 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC000182751822 432224558 /nfs/dbraw/zinc/22/45/58/432224558.db2.gz QVOZMCNVZWHCDS-CQSZACIVSA-N 2 1 308.470 3.273 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132453671 196257421 /nfs/dbraw/zinc/25/74/21/196257421.db2.gz MHYUQWTVVJRDQQ-ZIFCJYIRSA-N 2 1 303.494 3.221 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Br)cs1 ZINC000133305452 196329413 /nfs/dbraw/zinc/32/94/13/196329413.db2.gz HVDBGFZZVMOABK-LBPRGKRZSA-N 2 1 305.285 3.316 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000133305452 196329414 /nfs/dbraw/zinc/32/94/14/196329414.db2.gz HVDBGFZZVMOABK-LBPRGKRZSA-N 2 1 305.285 3.316 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000245580140 287275177 /nfs/dbraw/zinc/27/51/77/287275177.db2.gz CDWCYHBDXNNSRA-QYZOEREBSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000245580140 287275180 /nfs/dbraw/zinc/27/51/80/287275180.db2.gz CDWCYHBDXNNSRA-QYZOEREBSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000245580140 287275181 /nfs/dbraw/zinc/27/51/81/287275181.db2.gz CDWCYHBDXNNSRA-QYZOEREBSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000134410104 196388621 /nfs/dbraw/zinc/38/86/21/196388621.db2.gz SMNLRMBVNCVNQH-RISCZKNCSA-N 2 1 302.340 3.015 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340514657 287347782 /nfs/dbraw/zinc/34/77/82/287347782.db2.gz KKHOMWHONLNPBT-TVFCKZIOSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295806175 225260675 /nfs/dbraw/zinc/26/06/75/225260675.db2.gz TUFWDRAADLACBL-XYVMCAHJSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295806175 225260681 /nfs/dbraw/zinc/26/06/81/225260681.db2.gz TUFWDRAADLACBL-XYVMCAHJSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccnc2N)CC1 ZINC000296716975 226156258 /nfs/dbraw/zinc/15/62/58/226156258.db2.gz GYZYXOOWNRZMPW-MRXNPFEDSA-N 2 1 316.493 3.140 20 0 DGADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000291211033 222225596 /nfs/dbraw/zinc/22/55/96/222225596.db2.gz OAQFBYKMLBZNOM-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cncs1 ZINC000411546530 229799999 /nfs/dbraw/zinc/79/99/99/229799999.db2.gz ASZDIZDAGNBLDA-QAPCUYQASA-N 2 1 315.486 3.186 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000346532152 264048478 /nfs/dbraw/zinc/04/84/78/264048478.db2.gz SUUZWRRMGKHDNP-LSTHTHJFSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000346532152 264048481 /nfs/dbraw/zinc/04/84/81/264048481.db2.gz SUUZWRRMGKHDNP-LSTHTHJFSA-N 2 1 316.489 3.038 20 0 DGADMP CC[NH+]1CCC(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000346600437 264062728 /nfs/dbraw/zinc/06/27/28/264062728.db2.gz SDOUMRIPUPPTNG-HXUWFJFHSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+]1CCC(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000346600437 264062729 /nfs/dbraw/zinc/06/27/29/264062729.db2.gz SDOUMRIPUPPTNG-HXUWFJFHSA-N 2 1 317.521 3.217 20 0 DGADMP COc1ccc(OC(F)F)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000346648904 264072928 /nfs/dbraw/zinc/07/29/28/264072928.db2.gz BRQOVQAKRPARRC-CQSZACIVSA-N 2 1 316.392 3.102 20 0 DGADMP COc1ccc(OC(F)F)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000346648904 264072930 /nfs/dbraw/zinc/07/29/30/264072930.db2.gz BRQOVQAKRPARRC-CQSZACIVSA-N 2 1 316.392 3.102 20 0 DGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)CC(C)(C)C[NH3+] ZINC000346647697 264073094 /nfs/dbraw/zinc/07/30/94/264073094.db2.gz BBNNHVJIZQXXHG-UHFFFAOYSA-N 2 1 322.346 3.184 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346687512 264079447 /nfs/dbraw/zinc/07/94/47/264079447.db2.gz WKAOMJTYMAGOOU-IBGZPJMESA-N 2 1 314.477 3.294 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346687512 264079449 /nfs/dbraw/zinc/07/94/49/264079449.db2.gz WKAOMJTYMAGOOU-IBGZPJMESA-N 2 1 314.477 3.294 20 0 DGADMP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346689558 264080163 /nfs/dbraw/zinc/08/01/63/264080163.db2.gz ZLVWPOXYVZSFGW-AWEZNQCLSA-N 2 1 314.857 3.162 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346689558 264080164 /nfs/dbraw/zinc/08/01/64/264080164.db2.gz ZLVWPOXYVZSFGW-AWEZNQCLSA-N 2 1 314.857 3.162 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346692786 264080838 /nfs/dbraw/zinc/08/08/38/264080838.db2.gz IWPYPKRWQMZNIE-HOTGVXAUSA-N 2 1 312.461 3.165 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Oc1cccnc1 ZINC000346694022 264081374 /nfs/dbraw/zinc/08/13/74/264081374.db2.gz RIRKLVLRZKMXHD-DOTOQJQBSA-N 2 1 311.429 3.351 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000346693390 264081392 /nfs/dbraw/zinc/08/13/92/264081392.db2.gz MVINCFDCXZITRM-QGZVFWFLSA-N 2 1 300.450 3.190 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000346695210 264081508 /nfs/dbraw/zinc/08/15/08/264081508.db2.gz YWVCEIXZJWFOFF-KRWDZBQOSA-N 2 1 314.433 3.074 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1 ZINC000346797555 264099628 /nfs/dbraw/zinc/09/96/28/264099628.db2.gz OETJNSUSRYSTHU-KHYOSLBOSA-N 2 1 312.461 3.314 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)c1OC(F)F ZINC000346813796 264101908 /nfs/dbraw/zinc/10/19/08/264101908.db2.gz AZVQFLKJTZPFGU-KKUMJFAQSA-N 2 1 310.388 3.074 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)c1OC(F)F ZINC000346813802 264102321 /nfs/dbraw/zinc/10/23/21/264102321.db2.gz AZVQFLKJTZPFGU-SOUVJXGZSA-N 2 1 310.388 3.074 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346820647 264103448 /nfs/dbraw/zinc/10/34/48/264103448.db2.gz DBVWJBJJIJCZNQ-KFKAGJAMSA-N 2 1 324.472 3.165 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)s2)o1 ZINC000346821611 264103551 /nfs/dbraw/zinc/10/35/51/264103551.db2.gz IYRLSZVYFXSCCC-QEJZJMRPSA-N 2 1 317.458 3.271 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346820652 264103623 /nfs/dbraw/zinc/10/36/23/264103623.db2.gz DBVWJBJJIJCZNQ-SNRMKQJTSA-N 2 1 324.472 3.165 20 0 DGADMP CCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346821066 264103968 /nfs/dbraw/zinc/10/39/68/264103968.db2.gz LERPIAGFLWXEPA-BBWFWOEESA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]21 ZINC000346828783 264104390 /nfs/dbraw/zinc/10/43/90/264104390.db2.gz IRVNEXZYRHUWRW-OWCLPIDISA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]21 ZINC000346828783 264104392 /nfs/dbraw/zinc/10/43/92/264104392.db2.gz IRVNEXZYRHUWRW-OWCLPIDISA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCC3CC3)C[C@H]21 ZINC000346826679 264104424 /nfs/dbraw/zinc/10/44/24/264104424.db2.gz LZWXJWWAXMQJPB-CGTJXYLNSA-N 2 1 300.446 3.035 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC000346863783 264110672 /nfs/dbraw/zinc/11/06/72/264110672.db2.gz YHCOGLVSRVRMIH-YESZJQIVSA-N 2 1 318.461 3.042 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347007425 264138658 /nfs/dbraw/zinc/13/86/58/264138658.db2.gz QJXRRNVZXRTCNW-MAUKXSAKSA-N 2 1 312.461 3.165 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347007425 264138660 /nfs/dbraw/zinc/13/86/60/264138660.db2.gz QJXRRNVZXRTCNW-MAUKXSAKSA-N 2 1 312.461 3.165 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347007433 264139106 /nfs/dbraw/zinc/13/91/06/264139106.db2.gz QJXRRNVZXRTCNW-YJBOKZPZSA-N 2 1 312.461 3.165 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347007433 264139108 /nfs/dbraw/zinc/13/91/08/264139108.db2.gz QJXRRNVZXRTCNW-YJBOKZPZSA-N 2 1 312.461 3.165 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)s2)o1 ZINC000347035273 264145144 /nfs/dbraw/zinc/14/51/44/264145144.db2.gz GKXIBZJCXGYRNV-CHWSQXEVSA-N 2 1 305.447 3.271 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)s2)o1 ZINC000347035273 264145148 /nfs/dbraw/zinc/14/51/48/264145148.db2.gz GKXIBZJCXGYRNV-CHWSQXEVSA-N 2 1 305.447 3.271 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347039534 264146055 /nfs/dbraw/zinc/14/60/55/264146055.db2.gz JOUAVJWTRKVEJE-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347039534 264146058 /nfs/dbraw/zinc/14/60/58/264146058.db2.gz JOUAVJWTRKVEJE-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347063655 264149689 /nfs/dbraw/zinc/14/96/89/264149689.db2.gz CIBSNHSBIWRVFU-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347063655 264149690 /nfs/dbraw/zinc/14/96/90/264149690.db2.gz CIBSNHSBIWRVFU-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347065756 264151013 /nfs/dbraw/zinc/15/10/13/264151013.db2.gz YWOKDKQQLRRAHW-GOSISDBHSA-N 2 1 324.896 3.050 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC(C)C ZINC000347102395 264156595 /nfs/dbraw/zinc/15/65/95/264156595.db2.gz KKNSNYAXHMVOLI-CABCVRRESA-N 2 1 306.450 3.042 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC(C)C ZINC000347102395 264156598 /nfs/dbraw/zinc/15/65/98/264156598.db2.gz KKNSNYAXHMVOLI-CABCVRRESA-N 2 1 306.450 3.042 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)s2)cc1 ZINC000347142627 264164808 /nfs/dbraw/zinc/16/48/08/264164808.db2.gz WVDYUKNJNUDYPL-CZUORRHYSA-N 2 1 301.459 3.288 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)s2)cc1 ZINC000347142627 264164809 /nfs/dbraw/zinc/16/48/09/264164809.db2.gz WVDYUKNJNUDYPL-CZUORRHYSA-N 2 1 301.459 3.288 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC000347288173 264190803 /nfs/dbraw/zinc/19/08/03/264190803.db2.gz RAOPWWPLJXTUOR-CYBMUJFWSA-N 2 1 310.511 3.351 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC000347288173 264190805 /nfs/dbraw/zinc/19/08/05/264190805.db2.gz RAOPWWPLJXTUOR-CYBMUJFWSA-N 2 1 310.511 3.351 20 0 DGADMP OCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000347437644 264221487 /nfs/dbraw/zinc/22/14/87/264221487.db2.gz UQBRABMEMGEWML-QGZVFWFLSA-N 2 1 310.869 3.229 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000347438319 264221670 /nfs/dbraw/zinc/22/16/70/264221670.db2.gz MLPVLYRNIUKVPP-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000347438319 264221672 /nfs/dbraw/zinc/22/16/72/264221672.db2.gz MLPVLYRNIUKVPP-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000347438319 264221673 /nfs/dbraw/zinc/22/16/73/264221673.db2.gz MLPVLYRNIUKVPP-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347946861 264311876 /nfs/dbraw/zinc/31/18/76/264311876.db2.gz ZNEWEEACVLADFE-XJKSGUPXSA-N 2 1 305.466 3.077 20 0 DGADMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047549 264328569 /nfs/dbraw/zinc/32/85/69/264328569.db2.gz SWBSRQBFYUWVAZ-AZUAARDMSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047549 264328571 /nfs/dbraw/zinc/32/85/71/264328571.db2.gz SWBSRQBFYUWVAZ-AZUAARDMSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047549 264328572 /nfs/dbraw/zinc/32/85/72/264328572.db2.gz SWBSRQBFYUWVAZ-AZUAARDMSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348076434 264335160 /nfs/dbraw/zinc/33/51/60/264335160.db2.gz CXYFYFARGURRSV-LJISPDSOSA-N 2 1 322.415 3.054 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348098268 264339191 /nfs/dbraw/zinc/33/91/91/264339191.db2.gz AGMXZGPIOVWICF-ZQNQSHIBSA-N 2 1 322.415 3.052 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348098268 264339193 /nfs/dbraw/zinc/33/91/93/264339193.db2.gz AGMXZGPIOVWICF-ZQNQSHIBSA-N 2 1 322.415 3.052 20 0 DGADMP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096604 264339690 /nfs/dbraw/zinc/33/96/90/264339690.db2.gz NFTZQLKKUWBQRS-IHJVYAAUSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000348113599 264343139 /nfs/dbraw/zinc/34/31/39/264343139.db2.gz XOSOSJMECMOACD-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[C@H]1CCC[NH+]1C ZINC000348116032 264344627 /nfs/dbraw/zinc/34/46/27/264344627.db2.gz URQWYAPWPLUNIU-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1CC[C@H]1CCC[N@@H+]1C ZINC000348116032 264344630 /nfs/dbraw/zinc/34/46/30/264344630.db2.gz URQWYAPWPLUNIU-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1CC[C@H]1CCC[N@H+]1C ZINC000348116032 264344632 /nfs/dbraw/zinc/34/46/32/264344632.db2.gz URQWYAPWPLUNIU-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP CC[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000348125181 264346442 /nfs/dbraw/zinc/34/64/42/264346442.db2.gz XQOHLNQDMARTIL-IRXDYDNUSA-N 2 1 305.466 3.282 20 0 DGADMP C[C@H]([NH2+][C@]1(C)CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348129752 264348498 /nfs/dbraw/zinc/34/84/98/264348498.db2.gz IGEVLALSNJIWEW-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C23CC4CC(CC(C4)C2)C3)s1 ZINC000348146743 264352003 /nfs/dbraw/zinc/35/20/03/264352003.db2.gz VEVAQBVSHGBUBC-UHFFFAOYSA-N 2 1 305.491 3.263 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000348184078 264359298 /nfs/dbraw/zinc/35/92/98/264359298.db2.gz FMCGYOSIBXYKAS-PBHICJAKSA-N 2 1 321.428 3.043 20 0 DGADMP CC(C)OC1CC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348190635 264361316 /nfs/dbraw/zinc/36/13/16/264361316.db2.gz CSVKQJAIOYZJIG-YUKKFIBKSA-N 2 1 316.489 3.443 20 0 DGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000348203294 264363619 /nfs/dbraw/zinc/36/36/19/264363619.db2.gz PBFPDMYUEIJIPY-RCCFBDPRSA-N 2 1 319.493 3.497 20 0 DGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000348203294 264363621 /nfs/dbraw/zinc/36/36/21/264363621.db2.gz PBFPDMYUEIJIPY-RCCFBDPRSA-N 2 1 319.493 3.497 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348227062 264368969 /nfs/dbraw/zinc/36/89/69/264368969.db2.gz OKIWWYNQMCVXHC-XCZFOBESSA-N 2 1 314.473 3.054 20 0 DGADMP CC[NH+](CC)CCN(CC[C@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000348258663 264377396 /nfs/dbraw/zinc/37/73/96/264377396.db2.gz XYWADAKOAIIADU-QGZVFWFLSA-N 2 1 323.550 3.376 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1 ZINC000348300912 264385029 /nfs/dbraw/zinc/38/50/29/264385029.db2.gz IKUSISUPSGSSPW-PBHICJAKSA-N 2 1 301.434 3.096 20 0 DGADMP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348320493 264389601 /nfs/dbraw/zinc/38/96/01/264389601.db2.gz NBLSKPQUAJBWRV-BHIYHBOVSA-N 2 1 307.441 3.206 20 0 DGADMP COCCCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000348325224 264390741 /nfs/dbraw/zinc/39/07/41/264390741.db2.gz QKTXBEFNGBSMTK-GOSISDBHSA-N 2 1 301.434 3.339 20 0 DGADMP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000348381260 264399480 /nfs/dbraw/zinc/39/94/80/264399480.db2.gz CLTGCKVPYNTXFG-ZWJWXYIHSA-N 2 1 302.437 3.377 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348378703 264399713 /nfs/dbraw/zinc/39/97/13/264399713.db2.gz OGKHWQNXWJBFQG-KFWWJZLASA-N 2 1 322.415 3.054 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC000352544786 265084787 /nfs/dbraw/zinc/08/47/87/265084787.db2.gz CWVJZALPWSYCPB-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2ccccc2F)s1 ZINC000352697887 265132899 /nfs/dbraw/zinc/13/28/99/265132899.db2.gz KMJLUZKHDAPZBF-UHFFFAOYSA-N 2 1 307.438 3.066 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000352735444 265145360 /nfs/dbraw/zinc/14/53/60/265145360.db2.gz BTSOATOXPJQSOR-VBKFSLOCSA-N 2 1 300.446 3.088 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC3(CCOCC3)CC2)s1 ZINC000352761604 265155579 /nfs/dbraw/zinc/15/55/79/265155579.db2.gz CGBNYPXOLQQQIO-UHFFFAOYSA-N 2 1 323.506 3.034 20 0 DGADMP CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777793 265162912 /nfs/dbraw/zinc/16/29/12/265162912.db2.gz USUKNJPEEBLOSN-KGLIPLIRSA-N 2 1 313.536 3.359 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccccc2Cl)s1 ZINC000352780648 265164276 /nfs/dbraw/zinc/16/42/76/265164276.db2.gz PNWMWZQIZVMJDQ-UHFFFAOYSA-N 2 1 309.866 3.190 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352852365 265198105 /nfs/dbraw/zinc/19/81/05/265198105.db2.gz JSUHSIPWNRBSCG-SFHVURJKSA-N 2 1 308.510 3.316 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)s1 ZINC000352855045 265201051 /nfs/dbraw/zinc/20/10/51/265201051.db2.gz VULVYEUNVSOLRO-LLVKDONJSA-N 2 1 303.422 3.120 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352967624 265250345 /nfs/dbraw/zinc/25/03/45/265250345.db2.gz MCUOHJNXSSMHLH-UMGGQSCQSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C)cc1 ZINC000353321386 265388737 /nfs/dbraw/zinc/38/87/37/265388737.db2.gz PSHHZDYLKFJCTN-RTBURBONSA-N 2 1 304.478 3.129 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000353973063 265616163 /nfs/dbraw/zinc/61/61/63/265616163.db2.gz PJVYVZYLLBSREX-MOPGFXCFSA-N 2 1 302.462 3.023 20 0 DGADMP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213554 266001381 /nfs/dbraw/zinc/00/13/81/266001381.db2.gz FIRZEWODZONHMI-DHBDYNCWSA-N 2 1 307.441 3.207 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000355582948 266122861 /nfs/dbraw/zinc/12/28/61/266122861.db2.gz MJZKYYVPXTWJBB-QFBILLFUSA-N 2 1 320.452 3.162 20 0 DGADMP CC1(C)C[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1[C@H]1CCCO1 ZINC000356243140 266330578 /nfs/dbraw/zinc/33/05/78/266330578.db2.gz GQJSJMKREFQDRN-CVEARBPZSA-N 2 1 317.458 3.323 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC000356255794 266333814 /nfs/dbraw/zinc/33/38/14/266333814.db2.gz JBSQGTRZWSFTLF-HBFSDRIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356255794 266333817 /nfs/dbraw/zinc/33/38/17/266333817.db2.gz JBSQGTRZWSFTLF-HBFSDRIKSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356255794 266333822 /nfs/dbraw/zinc/33/38/22/266333822.db2.gz JBSQGTRZWSFTLF-HBFSDRIKSA-N 2 1 317.521 3.215 20 0 DGADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000356388151 266376722 /nfs/dbraw/zinc/37/67/22/266376722.db2.gz HLBPBLFKJQUZPC-HDICACEKSA-N 2 1 316.514 3.336 20 0 DGADMP CSC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000356388151 266376725 /nfs/dbraw/zinc/37/67/25/266376725.db2.gz HLBPBLFKJQUZPC-HDICACEKSA-N 2 1 316.514 3.336 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000359897059 271012671 /nfs/dbraw/zinc/01/26/71/271012671.db2.gz KIOXOZHHUAEWGF-RSPOEFSDSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000367697194 271066292 /nfs/dbraw/zinc/06/62/92/271066292.db2.gz BYDNUHZVHSZKTG-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367997233 271109945 /nfs/dbraw/zinc/10/99/45/271109945.db2.gz LHIMVXZARFOYGM-IOASZLSFSA-N 2 1 304.409 3.038 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367997236 271110693 /nfs/dbraw/zinc/11/06/93/271110693.db2.gz LHIMVXZARFOYGM-ZENOOKHLSA-N 2 1 304.409 3.038 20 0 DGADMP CC(C)C1CCC(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000368024626 271116699 /nfs/dbraw/zinc/11/66/99/271116699.db2.gz UPDNOOLKHRKWKN-SOAGJPPSSA-N 2 1 321.553 3.161 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000368137454 271142379 /nfs/dbraw/zinc/14/23/79/271142379.db2.gz ACTXSCCJWPAJJK-CXAGYDPISA-N 2 1 308.491 3.214 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000368378858 271151057 /nfs/dbraw/zinc/15/10/57/271151057.db2.gz RWFTVZOQFQULNM-HOBHPSKFSA-N 2 1 320.481 3.114 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000368378858 271151063 /nfs/dbraw/zinc/15/10/63/271151063.db2.gz RWFTVZOQFQULNM-HOBHPSKFSA-N 2 1 320.481 3.114 20 0 DGADMP COC1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368531036 271166068 /nfs/dbraw/zinc/16/60/68/271166068.db2.gz SDOKRKCXCIVAAV-MHJFOBGBSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(OC2CCCC2)c1 ZINC000422819622 533688432 /nfs/dbraw/zinc/68/84/32/533688432.db2.gz IPXXRJPQBZEOHM-LSDHHAIUSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000247938526 432253448 /nfs/dbraw/zinc/25/34/48/432253448.db2.gz CTLPOUQJZJPDAK-NTHMGXEOSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000247943337 432254364 /nfs/dbraw/zinc/25/43/64/432254364.db2.gz DEJOXYCBAZYJQV-YFHUEUNASA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943337 432254369 /nfs/dbraw/zinc/25/43/69/432254369.db2.gz DEJOXYCBAZYJQV-YFHUEUNASA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943337 432254372 /nfs/dbraw/zinc/25/43/72/432254372.db2.gz DEJOXYCBAZYJQV-YFHUEUNASA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000247933208 432254831 /nfs/dbraw/zinc/25/48/31/432254831.db2.gz CFBWWXBNBSJCTC-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933208 432254834 /nfs/dbraw/zinc/25/48/34/432254834.db2.gz CFBWWXBNBSJCTC-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933208 432254839 /nfs/dbraw/zinc/25/48/39/432254839.db2.gz CFBWWXBNBSJCTC-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1SC ZINC000270537858 432256250 /nfs/dbraw/zinc/25/62/50/432256250.db2.gz WOBMVNPJXBWKIB-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1SC ZINC000270537858 432256254 /nfs/dbraw/zinc/25/62/54/432256254.db2.gz WOBMVNPJXBWKIB-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1SC ZINC000270537858 432256260 /nfs/dbraw/zinc/25/62/60/432256260.db2.gz WOBMVNPJXBWKIB-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1SC ZINC000270537858 432256263 /nfs/dbraw/zinc/25/62/63/432256263.db2.gz WOBMVNPJXBWKIB-HOTGVXAUSA-N 2 1 320.502 3.333 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC000247973940 432256992 /nfs/dbraw/zinc/25/69/92/432256992.db2.gz KGQKRWJDEWDHGU-DOTOQJQBSA-N 2 1 310.507 3.017 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000247950104 432257399 /nfs/dbraw/zinc/25/73/99/432257399.db2.gz DYRRMHGIIKISKT-RDJZCZTQSA-N 2 1 300.446 3.364 20 0 DGADMP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422784040 274243891 /nfs/dbraw/zinc/24/38/91/274243891.db2.gz LSVXSWNMYWRHJA-KDOFPFPSSA-N 2 1 321.896 3.035 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493946284 274285440 /nfs/dbraw/zinc/28/54/40/274285440.db2.gz ZGXINTPKUZHSIB-AEFFLSMTSA-N 2 1 302.462 3.234 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000191378648 432258798 /nfs/dbraw/zinc/25/87/98/432258798.db2.gz MXMJXWPXDRQJDD-KRWDZBQOSA-N 2 1 321.484 3.235 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423468683 274908681 /nfs/dbraw/zinc/90/86/81/274908681.db2.gz FNBUWKIMIYZOLR-WBMJQRKESA-N 2 1 319.399 3.380 20 0 DGADMP Fc1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000297757375 274912503 /nfs/dbraw/zinc/91/25/03/274912503.db2.gz UTSKMAMJYDWIJR-PKOBYXMFSA-N 2 1 318.436 3.262 20 0 DGADMP c1coc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414772893 275074493 /nfs/dbraw/zinc/07/44/93/275074493.db2.gz CROVRGOHJGXLDA-ZIAGYGMSSA-N 2 1 317.458 3.225 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422906435 275662991 /nfs/dbraw/zinc/66/29/91/275662991.db2.gz VEBZMVHSGXEMDL-HUUCEWRRSA-N 2 1 316.367 3.462 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248042240 276110739 /nfs/dbraw/zinc/11/07/39/276110739.db2.gz TYINJIRHXFXMKZ-QFBILLFUSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000248042240 276110740 /nfs/dbraw/zinc/11/07/40/276110740.db2.gz TYINJIRHXFXMKZ-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248042240 276110741 /nfs/dbraw/zinc/11/07/41/276110741.db2.gz TYINJIRHXFXMKZ-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248042240 276110742 /nfs/dbraw/zinc/11/07/42/276110742.db2.gz TYINJIRHXFXMKZ-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000248825610 276216940 /nfs/dbraw/zinc/21/69/40/276216940.db2.gz KCSJBNNFCOLILW-KANFNMMFSA-N 2 1 302.462 3.084 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000090775274 276227788 /nfs/dbraw/zinc/22/77/88/276227788.db2.gz NXTFZOMEQNYNMT-OAHAVBBTSA-N 3 1 321.553 3.349 20 0 DGADMP CCN1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000090775274 276227789 /nfs/dbraw/zinc/22/77/89/276227789.db2.gz NXTFZOMEQNYNMT-OAHAVBBTSA-N 2 1 321.553 3.349 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000423299426 276242855 /nfs/dbraw/zinc/24/28/55/276242855.db2.gz QESSPXFRRRAYCJ-OLMNPRSZSA-N 2 1 318.461 3.275 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128376 276308167 /nfs/dbraw/zinc/30/81/67/276308167.db2.gz NJELLHVWISSXMV-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128376 276308168 /nfs/dbraw/zinc/30/81/68/276308168.db2.gz NJELLHVWISSXMV-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128376 276308169 /nfs/dbraw/zinc/30/81/69/276308169.db2.gz NJELLHVWISSXMV-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128376 276308170 /nfs/dbraw/zinc/30/81/70/276308170.db2.gz NJELLHVWISSXMV-RHSMWYFYSA-N 2 1 310.869 3.301 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)[C@@H](C)C1 ZINC000247245451 276315988 /nfs/dbraw/zinc/31/59/88/276315988.db2.gz ZEUCLKCISIBTNO-RYQLBKOJSA-N 2 1 320.477 3.384 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)[C@@H](C)C1 ZINC000247245451 276315989 /nfs/dbraw/zinc/31/59/89/276315989.db2.gz ZEUCLKCISIBTNO-RYQLBKOJSA-N 2 1 320.477 3.384 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000449078297 276384054 /nfs/dbraw/zinc/38/40/54/276384054.db2.gz LSAARMJGGDKCAT-QRVBRYPASA-N 2 1 309.542 3.209 20 0 DGADMP CCCCNc1cc(C)[nH+]c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000631096983 429974839 /nfs/dbraw/zinc/97/48/39/429974839.db2.gz NPGXLQRZRULRNB-AWEZNQCLSA-N 2 1 314.437 3.104 20 0 DGADMP C[NH+]1CCC([C@@H]2CCN(c3cc[nH+]c4ccsc43)C2)CC1 ZINC000270041602 277033142 /nfs/dbraw/zinc/03/31/42/277033142.db2.gz AAKCHDVRAOYLEV-CQSZACIVSA-N 2 1 301.459 3.464 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287699662 277059647 /nfs/dbraw/zinc/05/96/47/277059647.db2.gz JCDXICYFADYILI-GOSISDBHSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287699662 277059649 /nfs/dbraw/zinc/05/96/49/277059649.db2.gz JCDXICYFADYILI-GOSISDBHSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287699662 277059650 /nfs/dbraw/zinc/05/96/50/277059650.db2.gz JCDXICYFADYILI-GOSISDBHSA-N 2 1 320.452 3.291 20 0 DGADMP CC(C)(C)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027238 277142206 /nfs/dbraw/zinc/14/22/06/277142206.db2.gz MOJVDBYZVJKDJY-GOSISDBHSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)(C)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027238 277142207 /nfs/dbraw/zinc/14/22/07/277142207.db2.gz MOJVDBYZVJKDJY-GOSISDBHSA-N 2 1 304.478 3.303 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414839669 277274809 /nfs/dbraw/zinc/27/48/09/277274809.db2.gz MFXLADDERSWUJC-OAHLLOKOSA-N 2 1 314.477 3.115 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414664991 277279837 /nfs/dbraw/zinc/27/98/37/277279837.db2.gz DDPLBDGWMPNYDT-STQMWFEESA-N 2 1 300.368 3.350 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449082791 278002695 /nfs/dbraw/zinc/00/26/95/278002695.db2.gz PWRGJMQCFBCXFI-KSZLIROESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448034455 278188387 /nfs/dbraw/zinc/18/83/87/278188387.db2.gz ITURDFLPSZFTAH-KZNAEPCWSA-N 2 1 318.509 3.300 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414770030 278194877 /nfs/dbraw/zinc/19/48/77/278194877.db2.gz XKNGYPLSUQXQTF-CZUORRHYSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111310 278226650 /nfs/dbraw/zinc/22/66/50/278226650.db2.gz ISHBJZWGTMKUQW-XYJFISCASA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423111310 278226651 /nfs/dbraw/zinc/22/66/51/278226651.db2.gz ISHBJZWGTMKUQW-XYJFISCASA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261596014 278308468 /nfs/dbraw/zinc/30/84/68/278308468.db2.gz ACXOHGIRHAATCJ-BXUZGUMPSA-N 2 1 302.340 3.317 20 0 DGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000193133995 278324655 /nfs/dbraw/zinc/32/46/55/278324655.db2.gz JOPFMYUMCUAFPM-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910457 278351712 /nfs/dbraw/zinc/35/17/12/278351712.db2.gz FBIDDTFAMKDSRT-IRXDYDNUSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133310769 288069627 /nfs/dbraw/zinc/06/96/27/288069627.db2.gz DYJKSFZDFJSNSY-BHYGNILZSA-N 2 1 318.461 3.229 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000340214883 279094055 /nfs/dbraw/zinc/09/40/55/279094055.db2.gz ZDZCSEQOUSXCBA-HCXYKTFWSA-N 2 1 310.526 3.370 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249310508 279138965 /nfs/dbraw/zinc/13/89/65/279138965.db2.gz LKYSXIDKZMTQDI-MBOZVWFJSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249310508 279138966 /nfs/dbraw/zinc/13/89/66/279138966.db2.gz LKYSXIDKZMTQDI-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249310508 279138968 /nfs/dbraw/zinc/13/89/68/279138968.db2.gz LKYSXIDKZMTQDI-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000249310508 279138969 /nfs/dbraw/zinc/13/89/69/279138969.db2.gz LKYSXIDKZMTQDI-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000121237733 279139060 /nfs/dbraw/zinc/13/90/60/279139060.db2.gz LKYSXIDKZMTQDI-ABSDTBQOSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000121237733 279139062 /nfs/dbraw/zinc/13/90/62/279139062.db2.gz LKYSXIDKZMTQDI-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000121237733 279139066 /nfs/dbraw/zinc/13/90/66/279139066.db2.gz LKYSXIDKZMTQDI-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000121237733 279139068 /nfs/dbraw/zinc/13/90/68/279139068.db2.gz LKYSXIDKZMTQDI-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453120521 279269641 /nfs/dbraw/zinc/26/96/41/279269641.db2.gz NOOBUXKGDWFFKK-VBSBHUPXSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867340 279349403 /nfs/dbraw/zinc/34/94/03/279349403.db2.gz RXZDDMNMQXCLMA-ZSXDVEMLSA-N 2 1 307.526 3.150 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCCC[C@H]1C ZINC000422867340 279349405 /nfs/dbraw/zinc/34/94/05/279349405.db2.gz RXZDDMNMQXCLMA-ZSXDVEMLSA-N 2 1 307.526 3.150 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449080331 279356935 /nfs/dbraw/zinc/35/69/35/279356935.db2.gz VFQHPMDQAGKBPJ-IBGZPJMESA-N 2 1 321.553 3.497 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307801 431276380 /nfs/dbraw/zinc/27/63/80/431276380.db2.gz RGQZNLNBDHLHTN-NRUUGDAUSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307801 431276385 /nfs/dbraw/zinc/27/63/85/431276385.db2.gz RGQZNLNBDHLHTN-NRUUGDAUSA-N 2 1 317.296 3.329 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2c(C)cccc2C)C1 ZINC000072858544 431355739 /nfs/dbraw/zinc/35/57/39/431355739.db2.gz TWHXXBPOYXUGPR-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC000072858544 431355743 /nfs/dbraw/zinc/35/57/43/431355743.db2.gz TWHXXBPOYXUGPR-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2c(C)cccc2C)C1 ZINC000072858544 431355749 /nfs/dbraw/zinc/35/57/49/431355749.db2.gz TWHXXBPOYXUGPR-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000076003617 431515626 /nfs/dbraw/zinc/51/56/26/431515626.db2.gz IZSIYBFRNVDVIX-INIZCTEOSA-N 2 1 308.441 3.258 20 0 DGADMP COCCN(C)CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000119544401 431704961 /nfs/dbraw/zinc/70/49/61/431704961.db2.gz ZZXJUFBCYUKAET-UHFFFAOYSA-N 2 1 302.418 3.005 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1N(C)C ZINC000119711771 431712169 /nfs/dbraw/zinc/71/21/69/431712169.db2.gz WXHQXNPAOLWZAH-ZDUSSCGKSA-N 2 1 305.441 3.169 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079640316 431737840 /nfs/dbraw/zinc/73/78/40/431737840.db2.gz LGXUOXFYQZGRSP-KRWDZBQOSA-N 2 1 324.472 3.063 20 0 DGADMP [NH3+]C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000032070997 431772566 /nfs/dbraw/zinc/77/25/66/431772566.db2.gz YBWAERRVHIGGET-UHFFFAOYSA-N 2 1 314.404 3.328 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000037644066 431848416 /nfs/dbraw/zinc/84/84/16/431848416.db2.gz RLLPYEICVWNTNP-STQMWFEESA-N 2 1 311.267 3.442 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000037644003 431849114 /nfs/dbraw/zinc/84/91/14/431849114.db2.gz FJYFEAFDNNLSBO-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP CC(C)c1noc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123556204 431868090 /nfs/dbraw/zinc/86/80/90/431868090.db2.gz UDCRSKMPOIBGCN-AWEZNQCLSA-N 2 1 308.470 3.308 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cncc(F)c1 ZINC000122374639 431829012 /nfs/dbraw/zinc/82/90/12/431829012.db2.gz ZAISPFGWUSAVEI-AWEZNQCLSA-N 2 1 317.408 3.012 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000036300535 431837656 /nfs/dbraw/zinc/83/76/56/431837656.db2.gz JFNIEHMBGRYILU-UHFFFAOYSA-N 2 1 303.233 3.056 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092563704 431909978 /nfs/dbraw/zinc/90/99/78/431909978.db2.gz RFYWSAQWGICMQT-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)c(OC)c1 ZINC000124161227 431884667 /nfs/dbraw/zinc/88/46/67/431884667.db2.gz SKVBVXHLDYUREX-GDBMZVCRSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124366626 431891382 /nfs/dbraw/zinc/89/13/82/431891382.db2.gz RCRQIVUMZGBZNA-CHWSQXEVSA-N 2 1 310.388 3.423 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000124366626 431891385 /nfs/dbraw/zinc/89/13/85/431891385.db2.gz RCRQIVUMZGBZNA-CHWSQXEVSA-N 2 1 310.388 3.423 20 0 DGADMP C[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000124353712 431891905 /nfs/dbraw/zinc/89/19/05/431891905.db2.gz MJXSFQVQTNWYPF-INIZCTEOSA-N 2 1 301.478 3.201 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000090806117 431896037 /nfs/dbraw/zinc/89/60/37/431896037.db2.gz GVRPLOVXHNKBDC-RHSMWYFYSA-N 2 1 310.869 3.177 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090948923 431899052 /nfs/dbraw/zinc/89/90/52/431899052.db2.gz JEWHXHKMPKLMPF-NFAWXSAZSA-N 2 1 309.523 3.301 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000097899252 431975614 /nfs/dbraw/zinc/97/56/14/431975614.db2.gz UORNBGOPSUQMKK-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125719445 431934206 /nfs/dbraw/zinc/93/42/06/431934206.db2.gz JWIWNDNFEFIMNP-RDJZCZTQSA-N 2 1 317.477 3.416 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000125719445 431934209 /nfs/dbraw/zinc/93/42/09/431934209.db2.gz JWIWNDNFEFIMNP-RDJZCZTQSA-N 2 1 317.477 3.416 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000125979113 431939807 /nfs/dbraw/zinc/93/98/07/431939807.db2.gz FPYBBRZRAGWIIW-LSDHHAIUSA-N 2 1 304.434 3.186 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127760361 431980070 /nfs/dbraw/zinc/98/00/70/431980070.db2.gz OQLZCIRWCRFZSL-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127760361 431980072 /nfs/dbraw/zinc/98/00/72/431980072.db2.gz OQLZCIRWCRFZSL-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127760361 431980073 /nfs/dbraw/zinc/98/00/73/431980073.db2.gz OQLZCIRWCRFZSL-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP Cc1csc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000126193287 431944213 /nfs/dbraw/zinc/94/42/13/431944213.db2.gz QIPFTOLEWYMXCQ-CQSZACIVSA-N 2 1 319.474 3.243 20 0 DGADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000127740515 431980139 /nfs/dbraw/zinc/98/01/39/431980139.db2.gz GIVGCTOBNKJDDG-RBUKOAKNSA-N 2 1 319.537 3.392 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000128084146 431987388 /nfs/dbraw/zinc/98/73/88/431987388.db2.gz SVNGNJOEINKEDX-ZHALLVOQSA-N 2 1 300.446 3.363 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000248125283 432270470 /nfs/dbraw/zinc/27/04/70/432270470.db2.gz NWCRESIBDDYXJK-GRDNDAEWSA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000248125283 432270473 /nfs/dbraw/zinc/27/04/73/432270473.db2.gz NWCRESIBDDYXJK-GRDNDAEWSA-N 2 1 318.490 3.215 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)[C@@H](C)C1 ZINC000248159883 432272775 /nfs/dbraw/zinc/27/27/75/432272775.db2.gz RYOMILYBWKPHLP-YJBOKZPZSA-N 2 1 302.462 3.295 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)[C@@H](C)C1 ZINC000248159883 432272780 /nfs/dbraw/zinc/27/27/80/432272780.db2.gz RYOMILYBWKPHLP-YJBOKZPZSA-N 2 1 302.462 3.295 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000248171143 432274988 /nfs/dbraw/zinc/27/49/88/432274988.db2.gz UVARDIUDKZNXRS-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000248171143 432274992 /nfs/dbraw/zinc/27/49/92/432274992.db2.gz UVARDIUDKZNXRS-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1C ZINC000248214781 432275285 /nfs/dbraw/zinc/27/52/85/432275285.db2.gz ZKLAUURCPLIXAX-MSOLQXFVSA-N 2 1 304.478 3.191 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000248398656 432284703 /nfs/dbraw/zinc/28/47/03/432284703.db2.gz JBSBRZQGZAPCED-JYJNAYRXSA-N 2 1 304.482 3.207 20 0 DGADMP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000248398656 432284707 /nfs/dbraw/zinc/28/47/07/432284707.db2.gz JBSBRZQGZAPCED-JYJNAYRXSA-N 2 1 304.482 3.207 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248435084 432291038 /nfs/dbraw/zinc/29/10/38/432291038.db2.gz FKZHFOUPZODMCO-RTWAWAEBSA-N 2 1 324.468 3.494 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000248442285 432291855 /nfs/dbraw/zinc/29/18/55/432291855.db2.gz KUGZNTHOKHADCY-NVXWUHKLSA-N 2 1 317.477 3.416 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000248459521 432293909 /nfs/dbraw/zinc/29/39/09/432293909.db2.gz VTUYQNAWBBCKMY-QAPCUYQASA-N 2 1 314.429 3.087 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000248459521 432293914 /nfs/dbraw/zinc/29/39/14/432293914.db2.gz VTUYQNAWBBCKMY-QAPCUYQASA-N 2 1 314.429 3.087 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000183514257 432298781 /nfs/dbraw/zinc/29/87/81/432298781.db2.gz NKXRFGNPZXBXQN-KKBVYLPWSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000183514257 432298784 /nfs/dbraw/zinc/29/87/84/432298784.db2.gz NKXRFGNPZXBXQN-KKBVYLPWSA-N 2 1 308.853 3.242 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CCn1ccnc1)c1ccccc1 ZINC000270881648 432298834 /nfs/dbraw/zinc/29/88/34/432298834.db2.gz NNVVPQKWQPCZAO-RTBURBONSA-N 2 1 313.445 3.251 20 0 DGADMP COc1ccc(Cl)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248803939 432320742 /nfs/dbraw/zinc/32/07/42/432320742.db2.gz AVQAAPNBVWRFFH-SUMWQHHRSA-N 2 1 308.853 3.265 20 0 DGADMP OCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248990103 432332157 /nfs/dbraw/zinc/33/21/57/432332157.db2.gz NDEQJSHYIAMNOY-ACDBMABISA-N 2 1 316.489 3.324 20 0 DGADMP CC(C)OCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174397022 432344523 /nfs/dbraw/zinc/34/45/23/432344523.db2.gz LSGFATLZCDPAPP-LJQANCHMSA-N 2 1 304.478 3.255 20 0 DGADMP CC(C)OCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397022 432344528 /nfs/dbraw/zinc/34/45/28/432344528.db2.gz LSGFATLZCDPAPP-LJQANCHMSA-N 2 1 304.478 3.255 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000152113706 432304155 /nfs/dbraw/zinc/30/41/55/432304155.db2.gz CIDKQZBKRDWTAJ-MRXNPFEDSA-N 2 1 308.416 3.315 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000152113706 432304158 /nfs/dbraw/zinc/30/41/58/432304158.db2.gz CIDKQZBKRDWTAJ-MRXNPFEDSA-N 2 1 308.416 3.315 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(Cl)c2)C1 ZINC000173924246 432308812 /nfs/dbraw/zinc/30/88/12/432308812.db2.gz QDOJABLTNYHPEQ-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000173924246 432308818 /nfs/dbraw/zinc/30/88/18/432308818.db2.gz QDOJABLTNYHPEQ-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000173924246 432308822 /nfs/dbraw/zinc/30/88/22/432308822.db2.gz QDOJABLTNYHPEQ-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000271330828 432375767 /nfs/dbraw/zinc/37/57/67/432375767.db2.gz AXPBBAMJFRBHKO-HKUYNNGSSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000271330828 432375770 /nfs/dbraw/zinc/37/57/70/432375770.db2.gz AXPBBAMJFRBHKO-HKUYNNGSSA-N 2 1 318.505 3.285 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252672615 432385972 /nfs/dbraw/zinc/38/59/72/432385972.db2.gz BLJHXRWQEDGRSQ-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252672615 432385978 /nfs/dbraw/zinc/38/59/78/432385978.db2.gz BLJHXRWQEDGRSQ-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000152878731 432364825 /nfs/dbraw/zinc/36/48/25/432364825.db2.gz VQHYIHOCPQFVSL-AOIWGVFYSA-N 2 1 304.478 3.474 20 0 DGADMP OCCCCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000192934040 432430067 /nfs/dbraw/zinc/43/00/67/432430067.db2.gz FHQRRWMHVNOIEH-AQNXPRMDSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261544569 432430171 /nfs/dbraw/zinc/43/01/71/432430171.db2.gz JAYZWSMSDJPSIL-LPHOPBHVSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261544240 432430820 /nfs/dbraw/zinc/43/08/20/432430820.db2.gz IRQKFGOEZOJMDU-YSGRDPCXSA-N 2 1 309.457 3.241 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]12 ZINC000261561703 432430861 /nfs/dbraw/zinc/43/08/61/432430861.db2.gz VRPHVZZEAJBWKZ-HLAWJBBLSA-N 2 1 322.452 3.435 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2cc(C(C)=O)ccc2OCC)CC1 ZINC000261615857 432435795 /nfs/dbraw/zinc/43/57/95/432435795.db2.gz ABUNAQOJKYVDAX-UHFFFAOYSA-N 2 1 318.461 3.109 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000153761745 432440838 /nfs/dbraw/zinc/44/08/38/432440838.db2.gz NIZCVSYADIOCDO-CYBMUJFWSA-N 2 1 318.383 3.324 20 0 DGADMP Fc1ccc2nc([C@@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)oc2c1 ZINC000261758765 432447741 /nfs/dbraw/zinc/44/77/41/432447741.db2.gz CRYCFJNXUOYYOD-CQSZACIVSA-N 2 1 317.408 3.146 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000261761777 432448320 /nfs/dbraw/zinc/44/83/20/432448320.db2.gz NZRHVJNQKCHPJD-SJORKVTESA-N 2 1 314.404 3.009 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000261807559 432452614 /nfs/dbraw/zinc/45/26/14/432452614.db2.gz HKYILNCMHRCJJB-SNVBAGLBSA-N 2 1 315.230 3.147 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000261807556 432453170 /nfs/dbraw/zinc/45/31/70/432453170.db2.gz HKYILNCMHRCJJB-JTQLQIEISA-N 2 1 315.230 3.147 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000261841745 432453883 /nfs/dbraw/zinc/45/38/83/432453883.db2.gz ZYKMQEDBXARRAX-HXUWFJFHSA-N 2 1 323.440 3.110 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000261881890 432458480 /nfs/dbraw/zinc/45/84/80/432458480.db2.gz YQZDYZRESRCPGW-QUCCMNQESA-N 2 1 317.436 3.409 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192838088 432420949 /nfs/dbraw/zinc/42/09/49/432420949.db2.gz GVKANJNKRWGKSH-RTBURBONSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153607381 432424744 /nfs/dbraw/zinc/42/47/44/432424744.db2.gz DHGSPZRHNOTCJE-ZIFCJYIRSA-N 2 1 316.489 3.053 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Nc1ccccc1 ZINC000154136700 432475082 /nfs/dbraw/zinc/47/50/82/432475082.db2.gz VSFNKAZZWJVWJI-RWQQGDIJSA-N 2 1 303.494 3.441 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]21 ZINC000262308206 432481987 /nfs/dbraw/zinc/48/19/87/432481987.db2.gz PLDMUDJEUJVMFU-RIEGTJTDSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]21 ZINC000262308206 432481990 /nfs/dbraw/zinc/48/19/90/432481990.db2.gz PLDMUDJEUJVMFU-RIEGTJTDSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]21 ZINC000262308210 432482127 /nfs/dbraw/zinc/48/21/27/432482127.db2.gz PLDMUDJEUJVMFU-WDBKCZKBSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]21 ZINC000262308210 432482128 /nfs/dbraw/zinc/48/21/28/432482128.db2.gz PLDMUDJEUJVMFU-WDBKCZKBSA-N 2 1 316.342 3.404 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272326979 432482799 /nfs/dbraw/zinc/48/27/99/432482799.db2.gz MDVFBWPVDVRFHA-QKLQHJQFSA-N 2 1 316.489 3.302 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]12 ZINC000262442103 432486077 /nfs/dbraw/zinc/48/60/77/432486077.db2.gz GVYBVGKIEGFYEC-AEGPPILISA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]12 ZINC000262442103 432486080 /nfs/dbraw/zinc/48/60/80/432486080.db2.gz GVYBVGKIEGFYEC-AEGPPILISA-N 2 1 317.820 3.164 20 0 DGADMP C[C@@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272429563 432500761 /nfs/dbraw/zinc/50/07/61/432500761.db2.gz QCVYGXCVJUHNEQ-FRYIKTPZSA-N 2 1 324.472 3.057 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000154479462 432501439 /nfs/dbraw/zinc/50/14/39/432501439.db2.gz PPUWYROCTOZTBP-RTBURBONSA-N 2 1 309.542 3.209 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000176282801 432507292 /nfs/dbraw/zinc/50/72/92/432507292.db2.gz IQQFGOMPTCLQPI-CQSZACIVSA-N 2 1 320.868 3.151 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261917271 432459988 /nfs/dbraw/zinc/45/99/88/432459988.db2.gz JZPJTUBTWBCSOC-WBVHZDCISA-N 2 1 310.445 3.019 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254914 432461026 /nfs/dbraw/zinc/46/10/26/432461026.db2.gz MIDITJUCJIVTJT-SFHVURJKSA-N 2 1 316.489 3.218 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254914 432461030 /nfs/dbraw/zinc/46/10/30/432461030.db2.gz MIDITJUCJIVTJT-SFHVURJKSA-N 2 1 316.489 3.218 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254914 432461032 /nfs/dbraw/zinc/46/10/32/432461032.db2.gz MIDITJUCJIVTJT-SFHVURJKSA-N 2 1 316.489 3.218 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000261950754 432463020 /nfs/dbraw/zinc/46/30/20/432463020.db2.gz NXABJSVNYRSXAP-MAUKXSAKSA-N 2 1 310.445 3.019 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000261950754 432463024 /nfs/dbraw/zinc/46/30/24/432463024.db2.gz NXABJSVNYRSXAP-MAUKXSAKSA-N 2 1 310.445 3.019 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193292366 432463452 /nfs/dbraw/zinc/46/34/52/432463452.db2.gz UXRVPFPVOVSSDT-SFHVURJKSA-N 2 1 316.489 3.264 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000261970138 432465787 /nfs/dbraw/zinc/46/57/87/432465787.db2.gz QFJHPPLFFYBOEV-INIZCTEOSA-N 2 1 310.445 3.020 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000261970138 432465790 /nfs/dbraw/zinc/46/57/90/432465790.db2.gz QFJHPPLFFYBOEV-INIZCTEOSA-N 2 1 310.445 3.020 20 0 DGADMP CCn1ccnc1C[N@@H+](CCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262000913 432467713 /nfs/dbraw/zinc/46/77/13/432467713.db2.gz UBZXXDJIHBBXAT-MRXNPFEDSA-N 2 1 318.509 3.283 20 0 DGADMP CC(C)([NH3+])C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000262029425 432469326 /nfs/dbraw/zinc/46/93/26/432469326.db2.gz XARBJJHWBPXOSH-UHFFFAOYSA-N 2 1 311.267 3.366 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N)s2)CC1)CC1CC1 ZINC000262034477 432469430 /nfs/dbraw/zinc/46/94/30/432469430.db2.gz OKITUANQTDKYRP-UHFFFAOYSA-N 2 1 322.522 3.059 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C ZINC000194079027 432522995 /nfs/dbraw/zinc/52/29/95/432522995.db2.gz WVCJGHRVHQRJDD-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C ZINC000194079027 432522998 /nfs/dbraw/zinc/52/29/98/432522998.db2.gz WVCJGHRVHQRJDD-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1C ZINC000194079027 432523003 /nfs/dbraw/zinc/52/30/03/432523003.db2.gz WVCJGHRVHQRJDD-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194292127 432537801 /nfs/dbraw/zinc/53/78/01/432537801.db2.gz IEFHESMRVJRCAL-CQSZACIVSA-N 2 1 309.417 3.008 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194336380 432543651 /nfs/dbraw/zinc/54/36/51/432543651.db2.gz XIUXUCNVOHAKLG-UHFFFAOYSA-N 2 1 309.417 3.152 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1ncnc2[nH]ccc21 ZINC000263795962 432577878 /nfs/dbraw/zinc/57/78/78/432577878.db2.gz PALYOCRLWVQIDO-UHFFFAOYSA-N 2 1 309.417 3.410 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000263795962 432577882 /nfs/dbraw/zinc/57/78/82/432577882.db2.gz PALYOCRLWVQIDO-UHFFFAOYSA-N 2 1 309.417 3.410 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000263795962 432577884 /nfs/dbraw/zinc/57/78/84/432577884.db2.gz PALYOCRLWVQIDO-UHFFFAOYSA-N 2 1 309.417 3.410 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(CCOc2cccc(Cl)c2)C1 ZINC000177035734 432577978 /nfs/dbraw/zinc/57/79/78/432577978.db2.gz AWEIHTYEEJYVRW-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000177035734 432577983 /nfs/dbraw/zinc/57/79/83/432577983.db2.gz AWEIHTYEEJYVRW-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000177035734 432577987 /nfs/dbraw/zinc/57/79/87/432577987.db2.gz AWEIHTYEEJYVRW-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000177035734 432577990 /nfs/dbraw/zinc/57/79/90/432577990.db2.gz AWEIHTYEEJYVRW-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000177035734 432577996 /nfs/dbraw/zinc/57/79/96/432577996.db2.gz AWEIHTYEEJYVRW-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000273319693 432583583 /nfs/dbraw/zinc/58/35/83/432583583.db2.gz YWKBQHWSPMGRDA-NBMJBFSESA-N 2 1 302.462 3.054 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(CCOCc3ccccc3)CC2)CC1 ZINC000186370204 432587089 /nfs/dbraw/zinc/58/70/89/432587089.db2.gz BKSGDJFGHFSDBI-UHFFFAOYSA-N 2 1 302.462 3.057 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OC(C)C ZINC000186380434 432589172 /nfs/dbraw/zinc/58/91/72/432589172.db2.gz AVYMCLUXMMFEAC-GJYPPUQNSA-N 2 1 320.477 3.234 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OC(C)C ZINC000186380434 432589175 /nfs/dbraw/zinc/58/91/75/432589175.db2.gz AVYMCLUXMMFEAC-GJYPPUQNSA-N 2 1 320.477 3.234 20 0 DGADMP Clc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000157354968 432619499 /nfs/dbraw/zinc/61/94/99/432619499.db2.gz NVKQVRKXHRZYKD-OAHLLOKOSA-N 2 1 308.853 3.137 20 0 DGADMP Clc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000157354968 432619501 /nfs/dbraw/zinc/61/95/01/432619501.db2.gz NVKQVRKXHRZYKD-OAHLLOKOSA-N 2 1 308.853 3.137 20 0 DGADMP Cc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000195441435 432623402 /nfs/dbraw/zinc/62/34/02/432623402.db2.gz RWIRNYYMQKLEOK-UHFFFAOYSA-N 2 1 323.912 3.012 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000158215778 432639950 /nfs/dbraw/zinc/63/99/50/432639950.db2.gz RTKWPEQOLVAQNE-ZIAGYGMSSA-N 2 1 308.491 3.410 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000158186583 432640634 /nfs/dbraw/zinc/64/06/34/432640634.db2.gz YCAJEWQVPMUKRE-ABAIWWIYSA-N 2 1 301.261 3.466 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000158960113 432664812 /nfs/dbraw/zinc/66/48/12/432664812.db2.gz ZYFAUJFQPVFBNF-ROUUACIJSA-N 2 1 304.478 3.047 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000177838578 432666714 /nfs/dbraw/zinc/66/67/14/432666714.db2.gz AYLKNGDONBIJIA-CQSZACIVSA-N 2 1 311.267 3.223 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)s1 ZINC000158991248 432666947 /nfs/dbraw/zinc/66/69/47/432666947.db2.gz WPQJEQHPEKJIHC-GJZGRUSLSA-N 2 1 310.507 3.054 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178111317 432696241 /nfs/dbraw/zinc/69/62/41/432696241.db2.gz CDJCBYBSYVBILD-OWCLPIDISA-N 2 1 306.498 3.137 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178119786 432697020 /nfs/dbraw/zinc/69/70/20/432697020.db2.gz SDAHWPMQDWYGSX-HZPDHXFCSA-N 2 1 312.498 3.208 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178119774 432697264 /nfs/dbraw/zinc/69/72/64/432697264.db2.gz SDAHWPMQDWYGSX-CVEARBPZSA-N 2 1 312.498 3.208 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493900547 288475350 /nfs/dbraw/zinc/47/53/50/288475350.db2.gz MYBHBDAVRXKBIB-HSFUPAIVSA-N 2 1 320.521 3.290 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274947693 432722369 /nfs/dbraw/zinc/72/23/69/432722369.db2.gz UROJAUMXLSATPV-QXAKKESOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274947699 432723337 /nfs/dbraw/zinc/72/33/37/432723337.db2.gz UROJAUMXLSATPV-YTQUADARSA-N 2 1 316.489 3.444 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Br)C[C@@H]21 ZINC000230047903 432725402 /nfs/dbraw/zinc/72/54/02/432725402.db2.gz CBEMFRYXCQZYNI-OSAQELSMSA-N 2 1 309.251 3.008 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000159273605 432678040 /nfs/dbraw/zinc/67/80/40/432678040.db2.gz RGDUSTVXWFASON-CYBMUJFWSA-N 2 1 315.461 3.051 20 0 DGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177978006 432680958 /nfs/dbraw/zinc/68/09/58/432680958.db2.gz LNFCACMAIHOTTP-OAHLLOKOSA-N 2 1 314.477 3.420 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000178036274 432686509 /nfs/dbraw/zinc/68/65/09/432686509.db2.gz QFNPUVFIAIPDFM-KFWWJZLASA-N 2 1 306.450 3.146 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000178036274 432686513 /nfs/dbraw/zinc/68/65/13/432686513.db2.gz QFNPUVFIAIPDFM-KFWWJZLASA-N 2 1 306.450 3.146 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000178071134 432691072 /nfs/dbraw/zinc/69/10/72/432691072.db2.gz UOQHNCQPFJCQBH-VQIMIIECSA-N 2 1 316.489 3.236 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000161525898 432782502 /nfs/dbraw/zinc/78/25/02/432782502.db2.gz COHNVWMSDWRTBT-JENIJYKNSA-N 2 1 304.478 3.472 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CCS2 ZINC000276131162 432776188 /nfs/dbraw/zinc/77/61/88/432776188.db2.gz LNTYXBSWKRJNAZ-INIZCTEOSA-N 2 1 317.458 3.417 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231459185 432731984 /nfs/dbraw/zinc/73/19/84/432731984.db2.gz KYSOIAAYXSCISR-ZDUSSCGKSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231456403 432732917 /nfs/dbraw/zinc/73/29/17/432732917.db2.gz GKSKPQBJTPFGFR-LBPRGKRZSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231456373 432732982 /nfs/dbraw/zinc/73/29/82/432732982.db2.gz GKSKPQBJTPFGFR-GFCCVEGCSA-N 2 1 315.230 3.162 20 0 DGADMP CCCN(CC[C@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C ZINC000178441663 432736682 /nfs/dbraw/zinc/73/66/82/432736682.db2.gz PCUXXZFOXBXKEI-QGZVFWFLSA-N 2 1 317.477 3.130 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2csc(Br)c2)CC[NH2+]1 ZINC000235660223 432744485 /nfs/dbraw/zinc/74/44/85/432744485.db2.gz FZAFHGOEWLBZES-WDEREUQCSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(OC2CCCC2)nc1 ZINC000162631921 432830161 /nfs/dbraw/zinc/83/01/61/432830161.db2.gz JVZVXCFOUMKRMK-RKVPGOIHSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162631921 432830162 /nfs/dbraw/zinc/83/01/62/432830162.db2.gz JVZVXCFOUMKRMK-RKVPGOIHSA-N 2 1 317.477 3.221 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000245467963 432834347 /nfs/dbraw/zinc/83/43/47/432834347.db2.gz SRGPDXYCOZOAPE-CVEARBPZSA-N 2 1 320.477 3.475 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000245464941 432834654 /nfs/dbraw/zinc/83/46/54/432834654.db2.gz PYUZCSBGBDXCPH-RDJZCZTQSA-N 2 1 322.518 3.296 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCO[C@@H](c2ccccc2F)C1 ZINC000162899748 432837364 /nfs/dbraw/zinc/83/73/64/432837364.db2.gz LUTOBIHNKYYOAP-GOSISDBHSA-N 2 1 317.408 3.184 20 0 DGADMP C[C@@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCCC[NH2+]1 ZINC000237384375 432785266 /nfs/dbraw/zinc/78/52/66/432785266.db2.gz RGQBOHWCBVCBPX-SFHVURJKSA-N 2 1 312.417 3.301 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000237682293 432797366 /nfs/dbraw/zinc/79/73/66/432797366.db2.gz RNRZYMVWUVIDSC-MSOLQXFVSA-N 2 1 323.525 3.009 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCc2ccccc21 ZINC000267028529 432806924 /nfs/dbraw/zinc/80/69/24/432806924.db2.gz DKDFRAVDQCQAKY-GOSISDBHSA-N 2 1 304.397 3.387 20 0 DGADMP Cc1cccc(NC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162015042 432808632 /nfs/dbraw/zinc/80/86/32/432808632.db2.gz TYNCMWFKESSARY-IBGZPJMESA-N 2 1 301.478 3.356 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000162164399 432814992 /nfs/dbraw/zinc/81/49/92/432814992.db2.gz WZXFURIGONCWMJ-QGZVFWFLSA-N 2 1 316.489 3.364 20 0 DGADMP CC[NH+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245749428 432861054 /nfs/dbraw/zinc/86/10/54/432861054.db2.gz TWRGGTHDMGPLNF-ACDBMABISA-N 2 1 315.505 3.113 20 0 DGADMP C[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000245763353 432861943 /nfs/dbraw/zinc/86/19/43/432861943.db2.gz VYWTXURMWSLZOY-IYWMVGAKSA-N 2 1 314.473 3.341 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000277659293 432868165 /nfs/dbraw/zinc/86/81/65/432868165.db2.gz ZQLHHYYCLDFFEB-QGZVFWFLSA-N 2 1 318.461 3.248 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000277659293 432868167 /nfs/dbraw/zinc/86/81/67/432868167.db2.gz ZQLHHYYCLDFFEB-QGZVFWFLSA-N 2 1 318.461 3.248 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C12CCCC2 ZINC000245930116 432871749 /nfs/dbraw/zinc/87/17/49/432871749.db2.gz SFGVVMRVNPKALV-KZNAEPCWSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000245640346 432851351 /nfs/dbraw/zinc/85/13/51/432851351.db2.gz XHVWUIPWFWDOIS-TVFCKZIOSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H](OCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000163372632 432851453 /nfs/dbraw/zinc/85/14/53/432851453.db2.gz GIESOWGBRPJLJG-VUHPKUFZSA-N 2 1 304.478 3.473 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245638311 432851911 /nfs/dbraw/zinc/85/19/11/432851911.db2.gz AGSYAWVKIMNDNN-HAGHYFMRSA-N 2 1 316.489 3.179 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245653604 432853426 /nfs/dbraw/zinc/85/34/26/432853426.db2.gz DCURWBGTMIDVLQ-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245707720 432858140 /nfs/dbraw/zinc/85/81/40/432858140.db2.gz MUYKXIURSCQHAS-MVBLQPKNSA-N 2 1 316.489 3.179 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245717386 432858339 /nfs/dbraw/zinc/85/83/39/432858339.db2.gz OFVMUBGBJYUTJY-HAGHYFMRSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000277525425 432858352 /nfs/dbraw/zinc/85/83/52/432858352.db2.gz UBJAPDWBCPUBSD-LSDHHAIUSA-N 2 1 303.450 3.127 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2cccnc2)C3)cc1 ZINC000245724070 432858582 /nfs/dbraw/zinc/85/85/82/432858582.db2.gz PCOTUHLXSWSZCY-OWZKRDHZSA-N 2 1 307.441 3.367 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccnc2)C3)cc1 ZINC000245724070 432858584 /nfs/dbraw/zinc/85/85/84/432858584.db2.gz PCOTUHLXSWSZCY-OWZKRDHZSA-N 2 1 307.441 3.367 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279020335 432927136 /nfs/dbraw/zinc/92/71/36/432927136.db2.gz UVIWCIIMEGHGED-PMPSAXMXSA-N 2 1 313.445 3.236 20 0 DGADMP COc1ccc2oc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2c1 ZINC000289207605 432933032 /nfs/dbraw/zinc/93/30/32/432933032.db2.gz BTVJRTGATOMTBK-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2c1 ZINC000289207605 432933035 /nfs/dbraw/zinc/93/30/35/432933035.db2.gz BTVJRTGATOMTBK-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP COc1ccc2oc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2c1 ZINC000289207605 432933037 /nfs/dbraw/zinc/93/30/37/432933037.db2.gz BTVJRTGATOMTBK-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP COc1ccc2oc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c1 ZINC000289207605 432933039 /nfs/dbraw/zinc/93/30/39/432933039.db2.gz BTVJRTGATOMTBK-XYPWUTKMSA-N 2 1 314.429 3.498 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289219860 432934399 /nfs/dbraw/zinc/93/43/99/432934399.db2.gz LDOMGKOFTFHGAJ-SFHVURJKSA-N 2 1 315.461 3.103 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289219856 432934697 /nfs/dbraw/zinc/93/46/97/432934697.db2.gz LDOMGKOFTFHGAJ-GOSISDBHSA-N 2 1 315.461 3.103 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000279157720 432940681 /nfs/dbraw/zinc/94/06/81/432940681.db2.gz BDTGINRYLARSBE-MSOLQXFVSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278845605 432908845 /nfs/dbraw/zinc/90/88/45/432908845.db2.gz QABMMUPWMOAIPS-MTFMMBMASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCNc3ccccc32)CCCO1 ZINC000278866820 432910265 /nfs/dbraw/zinc/91/02/65/432910265.db2.gz WQIWCXWVCJJTDL-QFBILLFUSA-N 2 1 317.477 3.024 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000278918071 432917935 /nfs/dbraw/zinc/91/79/35/432917935.db2.gz HNDMPIYKBUPZQI-UKRRQHHQSA-N 2 1 315.465 3.056 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000278954510 432921000 /nfs/dbraw/zinc/92/10/00/432921000.db2.gz LUIDWMUMOIPHDT-BBRMVZONSA-N 2 1 315.392 3.088 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000341174299 432983435 /nfs/dbraw/zinc/98/34/35/432983435.db2.gz PONMGANYCWLBSC-UHFFFAOYSA-N 2 1 305.447 3.177 20 0 DGADMP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290195021 433011039 /nfs/dbraw/zinc/01/10/39/433011039.db2.gz OQXXDSYGQHRYHU-PWIZWCRZSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000297754884 433013285 /nfs/dbraw/zinc/01/32/85/433013285.db2.gz UOEGNYMEZBOOMX-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297754884 433013289 /nfs/dbraw/zinc/01/32/89/433013289.db2.gz UOEGNYMEZBOOMX-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297754884 433013292 /nfs/dbraw/zinc/01/32/92/433013292.db2.gz UOEGNYMEZBOOMX-UHFFFAOYSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000297754884 433013297 /nfs/dbraw/zinc/01/32/97/433013297.db2.gz UOEGNYMEZBOOMX-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000297754884 433013299 /nfs/dbraw/zinc/01/32/99/433013299.db2.gz UOEGNYMEZBOOMX-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(-n3cccn3)c2)CC1 ZINC000349817225 433015044 /nfs/dbraw/zinc/01/50/44/433015044.db2.gz SSFCQAWUVLLGPK-UHFFFAOYSA-N 2 1 312.461 3.177 20 0 DGADMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccon1 ZINC000349827769 433017686 /nfs/dbraw/zinc/01/76/86/433017686.db2.gz DKIWLVLJDCJEEE-PCODUJHASA-N 2 1 311.429 3.236 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cccc2nccn21 ZINC000290330220 433032392 /nfs/dbraw/zinc/03/23/92/433032392.db2.gz DPDYQESTUIGTNM-UHFFFAOYSA-N 3 1 311.433 3.005 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2nccn21 ZINC000290330220 433032399 /nfs/dbraw/zinc/03/23/99/433032399.db2.gz DPDYQESTUIGTNM-UHFFFAOYSA-N 2 1 311.433 3.005 20 0 DGADMP CCN(CC)c1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000290335481 433033759 /nfs/dbraw/zinc/03/37/59/433033759.db2.gz FAXPLHVUTYBLHJ-UHFFFAOYSA-N 2 1 321.494 3.016 20 0 DGADMP CCN(CC)c1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000290335481 433033764 /nfs/dbraw/zinc/03/37/64/433033764.db2.gz FAXPLHVUTYBLHJ-UHFFFAOYSA-N 2 1 321.494 3.016 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000290406009 433045981 /nfs/dbraw/zinc/04/59/81/433045981.db2.gz JTLODYLJQHEXKO-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000290406009 433045986 /nfs/dbraw/zinc/04/59/86/433045986.db2.gz JTLODYLJQHEXKO-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP CCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290353176 433035743 /nfs/dbraw/zinc/03/57/43/433035743.db2.gz GFPOKRICVIYXPM-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290353176 433035747 /nfs/dbraw/zinc/03/57/47/433035747.db2.gz GFPOKRICVIYXPM-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000290353176 433035752 /nfs/dbraw/zinc/03/57/52/433035752.db2.gz GFPOKRICVIYXPM-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000290353176 433035754 /nfs/dbraw/zinc/03/57/54/433035754.db2.gz GFPOKRICVIYXPM-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361711 433039343 /nfs/dbraw/zinc/03/93/43/433039343.db2.gz GWIQBEOGLMEWLQ-BEFAXECRSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361711 433039346 /nfs/dbraw/zinc/03/93/46/433039346.db2.gz GWIQBEOGLMEWLQ-BEFAXECRSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361711 433039350 /nfs/dbraw/zinc/03/93/50/433039350.db2.gz GWIQBEOGLMEWLQ-BEFAXECRSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361711 433039355 /nfs/dbraw/zinc/03/93/55/433039355.db2.gz GWIQBEOGLMEWLQ-BEFAXECRSA-N 2 1 302.462 3.247 20 0 DGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](C)CC1CCOCC1 ZINC000350015627 433051465 /nfs/dbraw/zinc/05/14/65/433051465.db2.gz QULLUXRCTJUCKR-YJBOKZPZSA-N 2 1 305.466 3.109 20 0 DGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](C)CC1CCOCC1 ZINC000350015627 433051468 /nfs/dbraw/zinc/05/14/68/433051468.db2.gz QULLUXRCTJUCKR-YJBOKZPZSA-N 2 1 305.466 3.109 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000298194422 433053381 /nfs/dbraw/zinc/05/33/81/433053381.db2.gz BZLULEWFIYWFOO-YPMHNXCESA-N 2 1 317.260 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453315023 433080892 /nfs/dbraw/zinc/08/08/92/433080892.db2.gz ZETIQMFUBACQMD-BFQNTYOBSA-N 2 1 314.832 3.176 20 0 DGADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000453319320 433086054 /nfs/dbraw/zinc/08/60/54/433086054.db2.gz KLVLNIBRQYCXES-KMFMINBZSA-N 2 1 310.869 3.142 20 0 DGADMP Cc1cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C2CC2)n1 ZINC000341491105 433090380 /nfs/dbraw/zinc/09/03/80/433090380.db2.gz CWXYMMDBWMNWDT-MAUKXSAKSA-N 2 1 322.456 3.910 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000290553553 433093471 /nfs/dbraw/zinc/09/34/71/433093471.db2.gz RXGODTGDDSBIFK-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000290553553 433093480 /nfs/dbraw/zinc/09/34/80/433093480.db2.gz RXGODTGDDSBIFK-IRXDYDNUSA-N 2 1 318.461 3.010 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000453365650 433125240 /nfs/dbraw/zinc/12/52/40/433125240.db2.gz SOIGOQWOJPGYPS-WTUNAVPPSA-N 2 1 305.491 3.298 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000453365650 433125250 /nfs/dbraw/zinc/12/52/50/433125250.db2.gz SOIGOQWOJPGYPS-WTUNAVPPSA-N 2 1 305.491 3.298 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000290647488 433127841 /nfs/dbraw/zinc/12/78/41/433127841.db2.gz YXGASLQFAHNXES-UHFFFAOYSA-N 2 1 323.444 3.412 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000290647488 433127845 /nfs/dbraw/zinc/12/78/45/433127845.db2.gz YXGASLQFAHNXES-UHFFFAOYSA-N 2 1 323.444 3.412 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365491 433131200 /nfs/dbraw/zinc/13/12/00/433131200.db2.gz KPSMHJPXXIBXBV-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365491 433131215 /nfs/dbraw/zinc/13/12/15/433131215.db2.gz KPSMHJPXXIBXBV-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687839 433140824 /nfs/dbraw/zinc/14/08/24/433140824.db2.gz MJOFAGYFIOJTBP-GVXVVHGQSA-N 2 1 324.266 3.120 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000341582452 433149968 /nfs/dbraw/zinc/14/99/68/433149968.db2.gz CIDZXBRDHYBATC-SJORKVTESA-N 2 1 318.461 3.373 20 0 DGADMP Oc1ccc([N@@H+](CCc2ccccc2)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420294137 433150440 /nfs/dbraw/zinc/15/04/40/433150440.db2.gz AQNMSDGBGNDSOK-GOSISDBHSA-N 2 1 310.441 3.441 20 0 DGADMP Oc1ccc([N@H+](CCc2ccccc2)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420294137 433150448 /nfs/dbraw/zinc/15/04/48/433150448.db2.gz AQNMSDGBGNDSOK-GOSISDBHSA-N 2 1 310.441 3.441 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000420305640 433152900 /nfs/dbraw/zinc/15/29/00/433152900.db2.gz PRQDGEWQRUDMQT-LNLFQRSKSA-N 2 1 302.462 3.147 20 0 DGADMP CSc1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000280729948 433152966 /nfs/dbraw/zinc/15/29/66/433152966.db2.gz VTKVPPZSPDKOGR-UHFFFAOYSA-N 2 1 301.459 3.202 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000420305247 433153305 /nfs/dbraw/zinc/15/33/05/433153305.db2.gz PFVNLGPKSYJSSO-AWEZNQCLSA-N 2 1 319.424 3.473 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000373139189 433104209 /nfs/dbraw/zinc/10/42/09/433104209.db2.gz KARRXQOSZBPKTF-ZWKOTPCHSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000373139189 433104219 /nfs/dbraw/zinc/10/42/19/433104219.db2.gz KARRXQOSZBPKTF-ZWKOTPCHSA-N 2 1 305.466 3.110 20 0 DGADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420303364 433154001 /nfs/dbraw/zinc/15/40/01/433154001.db2.gz NCODTGWWYOBKQM-JTQLQIEISA-N 2 1 318.305 3.193 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420301570 433155838 /nfs/dbraw/zinc/15/58/38/433155838.db2.gz LMIWWSQYMHJSHR-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420301570 433155850 /nfs/dbraw/zinc/15/58/50/433155850.db2.gz LMIWWSQYMHJSHR-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1O ZINC000290747929 433157310 /nfs/dbraw/zinc/15/73/10/433157310.db2.gz QOESUMUDHIOWLC-CYBMUJFWSA-N 2 1 306.450 3.314 20 0 DGADMP CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420318009 433158842 /nfs/dbraw/zinc/15/88/42/433158842.db2.gz VITYTCZUHNFAST-MRXNPFEDSA-N 2 1 323.868 3.133 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1C(C)(C)C ZINC000453410111 433161305 /nfs/dbraw/zinc/16/13/05/433161305.db2.gz UZPDVIQWUIASEA-CQSZACIVSA-N 2 1 306.498 3.472 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[NH2+]CC1 ZINC000420311045 433162165 /nfs/dbraw/zinc/16/21/65/433162165.db2.gz MWVJEBTUOLXTPQ-AWEZNQCLSA-N 2 1 301.356 3.064 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[NH2+]CC1 ZINC000420311045 433162178 /nfs/dbraw/zinc/16/21/78/433162178.db2.gz MWVJEBTUOLXTPQ-AWEZNQCLSA-N 2 1 301.356 3.064 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000420325069 433163943 /nfs/dbraw/zinc/16/39/43/433163943.db2.gz WCLVOZXXVBFQFC-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1C(C)(C)C ZINC000453410110 433164022 /nfs/dbraw/zinc/16/40/22/433164022.db2.gz UZPDVIQWUIASEA-AWEZNQCLSA-N 2 1 306.498 3.472 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000420327858 433164541 /nfs/dbraw/zinc/16/45/41/433164541.db2.gz YZUWYRNFLDTZNR-OALUTQOASA-N 2 1 310.441 3.227 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000298527937 433169158 /nfs/dbraw/zinc/16/91/58/433169158.db2.gz RWJGUOUPIHBICB-UHFFFAOYSA-N 3 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298527937 433169168 /nfs/dbraw/zinc/16/91/68/433169168.db2.gz RWJGUOUPIHBICB-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298527937 433169174 /nfs/dbraw/zinc/16/91/74/433169174.db2.gz RWJGUOUPIHBICB-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298527937 433169182 /nfs/dbraw/zinc/16/91/82/433169182.db2.gz RWJGUOUPIHBICB-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298527937 433169194 /nfs/dbraw/zinc/16/91/94/433169194.db2.gz RWJGUOUPIHBICB-UHFFFAOYSA-N 2 1 315.505 3.243 20 0 DGADMP Clc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420336035 433169649 /nfs/dbraw/zinc/16/96/49/433169649.db2.gz IJPKZUQMRRQZSX-CABCVRRESA-N 2 1 308.853 3.040 20 0 DGADMP C[C@H]([NH2+]CCCC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361425899 433170370 /nfs/dbraw/zinc/17/03/70/433170370.db2.gz KBJLMPCRSZDIME-FUHWJXTLSA-N 2 1 308.510 3.436 20 0 DGADMP c1csc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000420337339 433171170 /nfs/dbraw/zinc/17/11/70/433171170.db2.gz WTTIMUJRFCGMSO-UONOGXRCSA-N 2 1 317.458 3.225 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CSCCc2ccccc21)C1CC1 ZINC000453416577 433171382 /nfs/dbraw/zinc/17/13/82/433171382.db2.gz XQRRMMBVUAXLTI-SFHVURJKSA-N 2 1 304.503 3.481 20 0 DGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC(C)CC1)c1ccccc1 ZINC000341624753 433172549 /nfs/dbraw/zinc/17/25/49/433172549.db2.gz UKYUVHLERDHSQS-GOSISDBHSA-N 2 1 316.493 3.326 20 0 DGADMP COC(C)(C)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336723409 433185634 /nfs/dbraw/zinc/18/56/34/433185634.db2.gz WKHXZAPNFBHALS-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP COC(C)(C)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336723409 433185644 /nfs/dbraw/zinc/18/56/44/433185644.db2.gz WKHXZAPNFBHALS-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420375885 433187278 /nfs/dbraw/zinc/18/72/78/433187278.db2.gz QCMVSYHQXROSRI-HNNXBMFYSA-N 2 1 308.853 3.183 20 0 DGADMP Cc1ncccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336724055 433189087 /nfs/dbraw/zinc/18/90/87/433189087.db2.gz ULMPWTZJQZZFRZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336724055 433189095 /nfs/dbraw/zinc/18/90/95/433189095.db2.gz ULMPWTZJQZZFRZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336724055 433189103 /nfs/dbraw/zinc/18/91/03/433189103.db2.gz ULMPWTZJQZZFRZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP C[NH2+]CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000420383344 433193633 /nfs/dbraw/zinc/19/36/33/433193633.db2.gz ZIVVPMQVHMRJMG-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@H]1C[NH3+] ZINC000420396013 433196830 /nfs/dbraw/zinc/19/68/30/433196830.db2.gz DXOBYJSDBDCEIO-DOTOQJQBSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@@H]1C[NH3+] ZINC000420396019 433197340 /nfs/dbraw/zinc/19/73/40/433197340.db2.gz DXOBYJSDBDCEIO-WBVHZDCISA-N 2 1 311.429 3.291 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000336870852 433197710 /nfs/dbraw/zinc/19/77/10/433197710.db2.gz CDPBPBJPGAUTGL-ILZDJORESA-N 2 1 315.505 3.284 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420397044 433198622 /nfs/dbraw/zinc/19/86/22/433198622.db2.gz MBJOSRWAULIGGU-VQIMIIECSA-N 2 1 311.429 3.306 20 0 DGADMP c1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420397044 433198626 /nfs/dbraw/zinc/19/86/26/433198626.db2.gz MBJOSRWAULIGGU-VQIMIIECSA-N 2 1 311.429 3.306 20 0 DGADMP C[N@H+]1CC[C@H]2CCN(Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728320 433268336 /nfs/dbraw/zinc/26/83/36/433268336.db2.gz CRFPEZNZGAYIQX-SUMWQHHRSA-N 2 1 315.848 3.414 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3sccc3[C@H]2C)CC1 ZINC000337339893 433223769 /nfs/dbraw/zinc/22/37/69/433223769.db2.gz SDNAYQYZVATIND-MRXNPFEDSA-N 2 1 321.534 3.083 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Br)s1)C1CC1 ZINC000453593158 433226474 /nfs/dbraw/zinc/22/64/74/433226474.db2.gz GKIZWPKGBBWFBG-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000447563791 433226712 /nfs/dbraw/zinc/22/67/12/433226712.db2.gz SKSKJVAFKLMEGO-XAOHYQHJSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563791 433226726 /nfs/dbraw/zinc/22/67/26/433226726.db2.gz SKSKJVAFKLMEGO-XAOHYQHJSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563791 433226735 /nfs/dbraw/zinc/22/67/35/433226735.db2.gz SKSKJVAFKLMEGO-XAOHYQHJSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563791 433226747 /nfs/dbraw/zinc/22/67/47/433226747.db2.gz SKSKJVAFKLMEGO-XAOHYQHJSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563791 433226756 /nfs/dbraw/zinc/22/67/56/433226756.db2.gz SKSKJVAFKLMEGO-XAOHYQHJSA-N 2 1 313.489 3.037 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000453598758 433231544 /nfs/dbraw/zinc/23/15/44/433231544.db2.gz QFIJVVVFNISEHC-UHFFFAOYSA-N 2 1 307.385 3.126 20 0 DGADMP O[C@@]1(C[NH2+]CCC2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000361586352 433266618 /nfs/dbraw/zinc/26/66/18/433266618.db2.gz SEIMUWGLQVMKMP-HXUWFJFHSA-N 2 1 316.489 3.183 20 0 DGADMP O[C@@]1(C[NH2+]CCC2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000361586352 433266627 /nfs/dbraw/zinc/26/66/27/433266627.db2.gz SEIMUWGLQVMKMP-HXUWFJFHSA-N 2 1 316.489 3.183 20 0 DGADMP C[C@H]1CCCCC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420916462 433313581 /nfs/dbraw/zinc/31/35/81/433313581.db2.gz OOSUXPOHBSXIPW-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000338771994 433318395 /nfs/dbraw/zinc/31/83/95/433318395.db2.gz JMRURAYZIBDFBH-SKDZVZGDSA-N 2 1 321.896 3.158 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000338771994 433318405 /nfs/dbraw/zinc/31/84/05/433318405.db2.gz JMRURAYZIBDFBH-SKDZVZGDSA-N 2 1 321.896 3.158 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)[C@@H](C)C1 ZINC000338000619 433272964 /nfs/dbraw/zinc/27/29/64/433272964.db2.gz YWFITDDSPQRSLN-WZGPROSRSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1nccn1CCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425530141 433282516 /nfs/dbraw/zinc/28/25/16/433282516.db2.gz ACZJCYKLKMCSKR-IAGOWNOFSA-N 2 1 319.836 3.043 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425530141 433282536 /nfs/dbraw/zinc/28/25/36/433282536.db2.gz ACZJCYKLKMCSKR-IAGOWNOFSA-N 2 1 319.836 3.043 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)OCc1ccccc1 ZINC000354809936 433287468 /nfs/dbraw/zinc/28/74/68/433287468.db2.gz SXTXKXCMZQVMJY-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H](C1CC1)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420899585 433297328 /nfs/dbraw/zinc/29/73/28/433297328.db2.gz GBFHWBUAHPFAJK-MRXNPFEDSA-N 2 1 314.473 3.282 20 0 DGADMP C[C@H](C1CC1)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420899585 433297340 /nfs/dbraw/zinc/29/73/40/433297340.db2.gz GBFHWBUAHPFAJK-MRXNPFEDSA-N 2 1 314.473 3.282 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000281412898 433299000 /nfs/dbraw/zinc/29/90/00/433299000.db2.gz ZLOAAXGZCDKXBC-KSZLIROESA-N 2 1 313.489 3.490 20 0 DGADMP C[C@H]([NH2+]CC[C@H](O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051155 433304514 /nfs/dbraw/zinc/30/45/14/433304514.db2.gz SCQYFUPHHZBEFE-QRFRQXIXSA-N 2 1 316.489 3.353 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000291679171 433308838 /nfs/dbraw/zinc/30/88/38/433308838.db2.gz HNEPSMSALXOGSM-LBPRGKRZSA-N 2 1 314.857 3.035 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420912849 433308971 /nfs/dbraw/zinc/30/89/71/433308971.db2.gz ACQZBFWQXMEGOG-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354843729 433311616 /nfs/dbraw/zinc/31/16/16/433311616.db2.gz HGRPTHYEPJFFPN-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354843729 433311620 /nfs/dbraw/zinc/31/16/20/433311620.db2.gz HGRPTHYEPJFFPN-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354843729 433311633 /nfs/dbraw/zinc/31/16/33/433311633.db2.gz HGRPTHYEPJFFPN-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCC3CCCCC3)C2)CC1 ZINC000375058801 433346339 /nfs/dbraw/zinc/34/63/39/433346339.db2.gz KWMROQBGGQVVOQ-LJQANCHMSA-N 2 1 307.526 3.059 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC3CCCCC3)CC2)CC1 ZINC000420978044 433361047 /nfs/dbraw/zinc/36/10/47/433361047.db2.gz IOZKBDWLCBCCOC-UHFFFAOYSA-N 2 1 321.553 3.449 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cc2n(n1)CCC2 ZINC000414056209 433366265 /nfs/dbraw/zinc/36/62/65/433366265.db2.gz DHFZBBASHRQZIV-INIZCTEOSA-N 2 1 324.472 3.276 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414066595 433372815 /nfs/dbraw/zinc/37/28/15/433372815.db2.gz IGTQZXPKHDZHRR-IAGOWNOFSA-N 2 1 319.493 3.123 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C2 ZINC000425935713 433378272 /nfs/dbraw/zinc/37/82/72/433378272.db2.gz FRTOUMFJZAGOCJ-KRWDZBQOSA-N 2 1 304.478 3.261 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C2 ZINC000425923787 433375268 /nfs/dbraw/zinc/37/52/68/433375268.db2.gz UBSZTHLNMBTFAJ-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)s1 ZINC000291759783 433338662 /nfs/dbraw/zinc/33/86/62/433338662.db2.gz RIFSNENZKLKPGV-VHSXEESVSA-N 2 1 305.285 3.359 20 0 DGADMP Brc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067581 433340072 /nfs/dbraw/zinc/34/00/72/433340072.db2.gz MPSINSRSFGOLJL-CABCVRRESA-N 2 1 323.278 3.208 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339069487 433340715 /nfs/dbraw/zinc/34/07/15/433340715.db2.gz WBINNKZQCIDEGV-HKUYNNGSSA-N 2 1 304.478 3.474 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339075023 433341602 /nfs/dbraw/zinc/34/16/02/433341602.db2.gz PCBKCOFWKGUVIS-ZENOOKHLSA-N 2 1 306.837 3.380 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339075023 433341606 /nfs/dbraw/zinc/34/16/06/433341606.db2.gz PCBKCOFWKGUVIS-ZENOOKHLSA-N 2 1 306.837 3.380 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068080 433341782 /nfs/dbraw/zinc/34/17/82/433341782.db2.gz NCEKYJXZSHDCLV-ROUUACIJSA-N 2 1 300.446 3.192 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068080 433341793 /nfs/dbraw/zinc/34/17/93/433341793.db2.gz NCEKYJXZSHDCLV-ROUUACIJSA-N 2 1 300.446 3.192 20 0 DGADMP c1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420951210 433343838 /nfs/dbraw/zinc/34/38/38/433343838.db2.gz SCOHYBIUYSBCSO-UHFFFAOYSA-N 2 1 322.452 3.298 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000339185236 433426003 /nfs/dbraw/zinc/42/60/03/433426003.db2.gz LEEQWBJNRLDIPD-IRXDYDNUSA-N 2 1 321.465 3.073 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339190212 433429312 /nfs/dbraw/zinc/42/93/12/433429312.db2.gz NEFLRSJKJQINPK-FJIDUMEYSA-N 2 1 322.493 3.105 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C2 ZINC000425930007 433378776 /nfs/dbraw/zinc/37/87/76/433378776.db2.gz WBXQUEXOZGEVPB-JZXOWHBKSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000425930007 433378785 /nfs/dbraw/zinc/37/87/85/433378785.db2.gz WBXQUEXOZGEVPB-JZXOWHBKSA-N 2 1 316.489 3.263 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]1C ZINC000414077007 433379534 /nfs/dbraw/zinc/37/95/34/433379534.db2.gz YQIQJQDUUBKLCA-LZQZEXGQSA-N 2 1 302.462 3.043 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354967234 433384273 /nfs/dbraw/zinc/38/42/73/433384273.db2.gz NUAPFZJQUHBZNG-OEUWWYETSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354967234 433384280 /nfs/dbraw/zinc/38/42/80/433384280.db2.gz NUAPFZJQUHBZNG-OEUWWYETSA-N 2 1 310.869 3.488 20 0 DGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C/C=C\c3ccncc3)C1)CCCC2 ZINC000426169648 433432325 /nfs/dbraw/zinc/43/23/25/433432325.db2.gz GRZKYKSYFURQBK-XDXAGZTOSA-N 2 1 322.456 3.426 20 0 DGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C/C=C\c3ccncc3)C1)CCCC2 ZINC000426169648 433432333 /nfs/dbraw/zinc/43/23/33/433432333.db2.gz GRZKYKSYFURQBK-XDXAGZTOSA-N 2 1 322.456 3.426 20 0 DGADMP Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000301094115 433411332 /nfs/dbraw/zinc/41/13/32/433411332.db2.gz URUIUJOQKSPQIW-HNNXBMFYSA-N 2 1 300.406 3.326 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000414126436 433412054 /nfs/dbraw/zinc/41/20/54/433412054.db2.gz FEYTYOWHEBDYJC-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414142090 433420239 /nfs/dbraw/zinc/42/02/39/433420239.db2.gz KCQKIFNCIYUHEF-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414142090 433420247 /nfs/dbraw/zinc/42/02/47/433420247.db2.gz KCQKIFNCIYUHEF-GDAAHCPNSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414171499 433437304 /nfs/dbraw/zinc/43/73/04/433437304.db2.gz CYGMYKSNIKSXOA-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000414177111 433441697 /nfs/dbraw/zinc/44/16/97/433441697.db2.gz JPQYOWZCECHPMI-HUUCEWRRSA-N 2 1 307.457 3.274 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000414186098 433448486 /nfs/dbraw/zinc/44/84/86/433448486.db2.gz OXBHCBFIWFSHEO-XLIONFOSSA-N 2 1 309.457 3.493 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000423397517 290011765 /nfs/dbraw/zinc/01/17/65/290011765.db2.gz TULAENCGEHQYDT-WCFLWFBJSA-N 2 1 306.841 3.147 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@@H]21 ZINC000342096415 433465946 /nfs/dbraw/zinc/46/59/46/433465946.db2.gz ZOSBTZPSBZACJB-VBNZEHGJSA-N 2 1 310.894 3.491 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261583777 290245799 /nfs/dbraw/zinc/24/57/99/290245799.db2.gz RYPQCQQGMUJOOQ-UEEZHKSASA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261583777 290245801 /nfs/dbraw/zinc/24/58/01/290245801.db2.gz RYPQCQQGMUJOOQ-UEEZHKSASA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000237516067 290390146 /nfs/dbraw/zinc/39/01/46/290390146.db2.gz RNRZYMVWUVIDSC-ROUUACIJSA-N 2 1 323.525 3.009 20 0 DGADMP COc1ccc2oc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000362074770 433513565 /nfs/dbraw/zinc/51/35/65/433513565.db2.gz BGJBSAHBEZTLOO-LSDHHAIUSA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000362074770 433513572 /nfs/dbraw/zinc/51/35/72/433513572.db2.gz BGJBSAHBEZTLOO-LSDHHAIUSA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000362074770 433513578 /nfs/dbraw/zinc/51/35/78/433513578.db2.gz BGJBSAHBEZTLOO-LSDHHAIUSA-N 2 1 300.402 3.158 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@@H]12 ZINC000351474459 433520812 /nfs/dbraw/zinc/52/08/12/433520812.db2.gz GDDUYCNSCUVMDI-APHBMKBZSA-N 2 1 301.821 3.057 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475527 433521373 /nfs/dbraw/zinc/52/13/73/433521373.db2.gz IPKCRFYGTNTUDA-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475527 433521382 /nfs/dbraw/zinc/52/13/82/433521382.db2.gz IPKCRFYGTNTUDA-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351475527 433521393 /nfs/dbraw/zinc/52/13/93/433521393.db2.gz IPKCRFYGTNTUDA-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351475527 433521405 /nfs/dbraw/zinc/52/14/05/433521405.db2.gz IPKCRFYGTNTUDA-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1 ZINC000414298078 433526157 /nfs/dbraw/zinc/52/61/57/433526157.db2.gz IZJLLIZNGLAHOR-UHFFFAOYSA-N 2 1 324.472 3.451 20 0 DGADMP C[C@@H]1C[C@@H](CO)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000421359643 433501857 /nfs/dbraw/zinc/50/18/57/433501857.db2.gz GLYPPRZSEQILMF-IEBWSBKVSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@@H]1C[C@@H](CO)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000421359643 433501869 /nfs/dbraw/zinc/50/18/69/433501869.db2.gz GLYPPRZSEQILMF-IEBWSBKVSA-N 2 1 318.505 3.095 20 0 DGADMP C[C@@H]1C[C@@H](CO)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000421359643 433501877 /nfs/dbraw/zinc/50/18/77/433501877.db2.gz GLYPPRZSEQILMF-IEBWSBKVSA-N 2 1 318.505 3.095 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(F)F)c1 ZINC000375607988 433504017 /nfs/dbraw/zinc/50/40/17/433504017.db2.gz PJXPTWHFNSDEPD-IXDOHACOSA-N 2 1 324.415 3.308 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(F)F)c1 ZINC000375607988 433504022 /nfs/dbraw/zinc/50/40/22/433504022.db2.gz PJXPTWHFNSDEPD-IXDOHACOSA-N 2 1 324.415 3.308 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H](C)C1 ZINC000414338247 433551708 /nfs/dbraw/zinc/55/17/08/433551708.db2.gz KBEBNDRAIZTXOD-OYSPMZIOSA-N 2 1 302.462 3.119 20 0 DGADMP CN(Cc1cc(F)cc2cccnc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375759591 433553621 /nfs/dbraw/zinc/55/36/21/433553621.db2.gz QZYKDMOHRGQGQD-JWTNVVGKSA-N 2 1 313.420 3.431 20 0 DGADMP C[NH+](Cc1cc(F)cc2cccnc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375759591 433553649 /nfs/dbraw/zinc/55/36/49/433553649.db2.gz QZYKDMOHRGQGQD-JWTNVVGKSA-N 2 1 313.420 3.431 20 0 DGADMP C[NH+](Cc1cc(F)cc2cccnc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375759591 433553656 /nfs/dbraw/zinc/55/36/56/433553656.db2.gz QZYKDMOHRGQGQD-JWTNVVGKSA-N 2 1 313.420 3.431 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)N(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538427 433558416 /nfs/dbraw/zinc/55/84/16/433558416.db2.gz RBZYTWRUSCTLTP-ACJLOTCBSA-N 2 1 322.880 3.321 20 0 DGADMP Cc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(-c2ccnn2C)c1 ZINC000339410716 433563418 /nfs/dbraw/zinc/56/34/18/433563418.db2.gz SMSPRGPNDVYHMS-SFHVURJKSA-N 2 1 314.477 3.201 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nn1C ZINC000282337668 433572228 /nfs/dbraw/zinc/57/22/28/433572228.db2.gz VBZJOXCEQJGANO-INIZCTEOSA-N 2 1 314.477 3.420 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nn1C ZINC000282337668 433572235 /nfs/dbraw/zinc/57/22/35/433572235.db2.gz VBZJOXCEQJGANO-INIZCTEOSA-N 2 1 314.477 3.420 20 0 DGADMP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282358377 433580271 /nfs/dbraw/zinc/58/02/71/433580271.db2.gz WBIDMEKSEKXDBF-QUCCMNQESA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000362199690 433580408 /nfs/dbraw/zinc/58/04/08/433580408.db2.gz JTJGGQZKJPFAJD-RLFYNMQTSA-N 2 1 316.445 3.125 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCCO2 ZINC000362199690 433580416 /nfs/dbraw/zinc/58/04/16/433580416.db2.gz JTJGGQZKJPFAJD-RLFYNMQTSA-N 2 1 316.445 3.125 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437969 433585496 /nfs/dbraw/zinc/58/54/96/433585496.db2.gz IJXUYSDHRMQXRM-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437969 433585502 /nfs/dbraw/zinc/58/55/02/433585502.db2.gz IJXUYSDHRMQXRM-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000339437969 433585508 /nfs/dbraw/zinc/58/55/08/433585508.db2.gz IJXUYSDHRMQXRM-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414322702 433541899 /nfs/dbraw/zinc/54/18/99/433541899.db2.gz FWLNERRWGKSRRA-NUJGCVRESA-N 2 1 300.446 3.289 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414322702 433541908 /nfs/dbraw/zinc/54/19/08/433541908.db2.gz FWLNERRWGKSRRA-NUJGCVRESA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1OC ZINC000342220569 433547108 /nfs/dbraw/zinc/54/71/08/433547108.db2.gz CNWVOTRYRLXQGL-INIZCTEOSA-N 2 1 320.477 3.222 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)C[NH+]1CCCC1 ZINC000165295986 292878768 /nfs/dbraw/zinc/87/87/68/292878768.db2.gz UUTAYJUGWMCMKB-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376094710 433662357 /nfs/dbraw/zinc/66/23/57/433662357.db2.gz LRGDOVJQUFBTIW-GOSISDBHSA-N 2 1 312.461 3.097 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccn1 ZINC000283129277 433672160 /nfs/dbraw/zinc/67/21/60/433672160.db2.gz ZOSPCCQQQALLMF-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000283129277 433672166 /nfs/dbraw/zinc/67/21/66/433672166.db2.gz ZOSPCCQQQALLMF-LJQANCHMSA-N 2 1 309.457 3.472 20 0 DGADMP C[C@]1(C[NH2+]C2CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000376146322 433674608 /nfs/dbraw/zinc/67/46/08/433674608.db2.gz DPELDNLOOFWORJ-GOSISDBHSA-N 2 1 304.503 3.384 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000283207852 433688603 /nfs/dbraw/zinc/68/86/03/433688603.db2.gz LVEYVSNBRPTLCK-KBRIMQKVSA-N 2 1 309.885 3.015 20 0 DGADMP COc1ccc(Cl)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000367218079 293040202 /nfs/dbraw/zinc/04/02/02/293040202.db2.gz PVMCRMCPPBFCMJ-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000368365955 293119715 /nfs/dbraw/zinc/11/97/15/293119715.db2.gz XCWZJAOLEZOKSG-DYVFJYSZSA-N 2 1 308.491 3.213 20 0 DGADMP C[N@H+]1CCCC12CCN(CCSCc1ccccc1)CC2 ZINC000368451256 293124179 /nfs/dbraw/zinc/12/41/79/293124179.db2.gz VMBSALSWPHZGCY-UHFFFAOYSA-N 2 1 304.503 3.480 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](CCSCc1ccccc1)CC2 ZINC000368451256 293124182 /nfs/dbraw/zinc/12/41/82/293124182.db2.gz VMBSALSWPHZGCY-UHFFFAOYSA-N 2 1 304.503 3.480 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CCSCc1ccccc1)CC2 ZINC000368451256 293124187 /nfs/dbraw/zinc/12/41/87/293124187.db2.gz VMBSALSWPHZGCY-UHFFFAOYSA-N 2 1 304.503 3.480 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529113 293286226 /nfs/dbraw/zinc/28/62/26/293286226.db2.gz LMXDWXFBFLPYMR-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000373529113 293286227 /nfs/dbraw/zinc/28/62/27/293286227.db2.gz LMXDWXFBFLPYMR-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373903126 293329820 /nfs/dbraw/zinc/32/98/20/293329820.db2.gz IXRKJZFJBMOAMK-WMZOPIPTSA-N 2 1 304.482 3.048 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000374075183 293349807 /nfs/dbraw/zinc/34/98/07/293349807.db2.gz QSCNUNHXQJJSHJ-XWSJACJDSA-N 2 1 308.510 3.124 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1 ZINC000374423801 293398327 /nfs/dbraw/zinc/39/83/27/293398327.db2.gz XVSWNWLASKCOHP-IXDOHACOSA-N 2 1 308.853 3.024 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1 ZINC000374423801 293398331 /nfs/dbraw/zinc/39/83/31/293398331.db2.gz XVSWNWLASKCOHP-IXDOHACOSA-N 2 1 308.853 3.024 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000449061744 433719046 /nfs/dbraw/zinc/71/90/46/433719046.db2.gz JTBLRKNMLMEOPG-GOSISDBHSA-N 2 1 302.462 3.187 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356854258 433730781 /nfs/dbraw/zinc/73/07/81/433730781.db2.gz UGTSAXRJPSOFHO-PKOBYXMFSA-N 2 1 316.489 3.364 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376416857 433734679 /nfs/dbraw/zinc/73/46/79/433734679.db2.gz VKKSEKLREWZZRC-LPOKXYRGSA-N 2 1 308.510 3.436 20 0 DGADMP CO[C@H]1CCC[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000351824957 433739744 /nfs/dbraw/zinc/73/97/44/433739744.db2.gz URVPCKSJTBPNLF-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP CO[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000351824957 433739769 /nfs/dbraw/zinc/73/97/69/433739769.db2.gz URVPCKSJTBPNLF-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP CO[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000351824957 433739779 /nfs/dbraw/zinc/73/97/79/433739779.db2.gz URVPCKSJTBPNLF-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000421822107 433744393 /nfs/dbraw/zinc/74/43/93/433744393.db2.gz VVHNCFHGEXWHMT-CHWSQXEVSA-N 2 1 308.853 3.484 20 0 DGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000421822107 433744408 /nfs/dbraw/zinc/74/44/08/433744408.db2.gz VVHNCFHGEXWHMT-CHWSQXEVSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421818684 433746221 /nfs/dbraw/zinc/74/62/21/433746221.db2.gz CAOJLEJBRMPAJF-GOSISDBHSA-N 2 1 317.408 3.470 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNc1nc2ccccc2n1C ZINC000342707616 433749753 /nfs/dbraw/zinc/74/97/53/433749753.db2.gz HGUYGIKZBSTGNR-HNNXBMFYSA-N 2 1 300.450 3.640 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000351855348 433756089 /nfs/dbraw/zinc/75/60/89/433756089.db2.gz SXXJNNYXAMDTEG-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000414639851 433767594 /nfs/dbraw/zinc/76/75/94/433767594.db2.gz FUSNWSAXISUIDI-FRRDWIJNSA-N 2 1 300.406 3.129 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000421853891 433775345 /nfs/dbraw/zinc/77/53/45/433775345.db2.gz KLZUEWZSWFIMCE-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000421851587 433775663 /nfs/dbraw/zinc/77/56/63/433775663.db2.gz GBRQIDFRZLEALK-MKXGPGLRSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000421851587 433775671 /nfs/dbraw/zinc/77/56/71/433775671.db2.gz GBRQIDFRZLEALK-MKXGPGLRSA-N 2 1 302.462 3.369 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414705263 433800216 /nfs/dbraw/zinc/80/02/16/433800216.db2.gz LHFLPMOLRXDBDC-JZXOWHBKSA-N 2 1 304.478 3.194 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414770190 433825072 /nfs/dbraw/zinc/82/50/72/433825072.db2.gz ONJLNTCRYRPSQD-PHIMTYICSA-N 2 1 304.381 3.198 20 0 DGADMP Cc1ccc2nc(C[NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)cn2c1 ZINC000283977009 433811466 /nfs/dbraw/zinc/81/14/66/433811466.db2.gz NXUQHNBMKZFROG-INIZCTEOSA-N 2 1 314.477 3.244 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414746570 433815435 /nfs/dbraw/zinc/81/54/35/433815435.db2.gz SHNLEJFMZRNGCZ-ZJUUUORDSA-N 2 1 318.305 3.191 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC[NH2+]1 ZINC000414744385 433816506 /nfs/dbraw/zinc/81/65/06/433816506.db2.gz IFRRGEFKVVHAGB-RLLQIKCJSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)CC[NH2+]1 ZINC000414748491 433817118 /nfs/dbraw/zinc/81/71/18/433817118.db2.gz WOXDZPBNBPTPRA-FSZRXZPDSA-N 2 1 322.880 3.490 20 0 DGADMP c1csc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)c1 ZINC000414766592 433819810 /nfs/dbraw/zinc/81/98/10/433819810.db2.gz HYLJSAANCLVGLL-BETUJISGSA-N 2 1 319.499 3.303 20 0 DGADMP Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766596 433821730 /nfs/dbraw/zinc/82/17/30/433821730.db2.gz HYZXASKRQQMDDQ-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C2 ZINC000414834630 433873783 /nfs/dbraw/zinc/87/37/83/433873783.db2.gz GTQNOBFJAMRUNR-SJLPKXTDSA-N 2 1 302.462 3.050 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CC3([NH3+])CCCCC3)s2)o1 ZINC000414838424 433875004 /nfs/dbraw/zinc/87/50/04/433875004.db2.gz IDBFWJNCAOBFSW-UHFFFAOYSA-N 2 1 305.447 3.463 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000414849210 433875882 /nfs/dbraw/zinc/87/58/82/433875882.db2.gz XSKAHWMNGKWZFZ-SECBINFHSA-N 2 1 305.647 3.048 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414846724 433876722 /nfs/dbraw/zinc/87/67/22/433876722.db2.gz UZLHOMLJIBWMQP-QWFCFKBJSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414846724 433876728 /nfs/dbraw/zinc/87/67/28/433876728.db2.gz UZLHOMLJIBWMQP-QWFCFKBJSA-N 3 1 315.505 3.019 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776330 433829145 /nfs/dbraw/zinc/82/91/45/433829145.db2.gz HBEJQYTVLMYUAR-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000414778560 433829432 /nfs/dbraw/zinc/82/94/32/433829432.db2.gz JBVWBXMECSTLRI-QZTJIDSGSA-N 2 1 302.462 3.134 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432425758 433829681 /nfs/dbraw/zinc/82/96/81/433829681.db2.gz XCLXQTKPRXNZFZ-PKOBYXMFSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432425758 433829688 /nfs/dbraw/zinc/82/96/88/433829688.db2.gz XCLXQTKPRXNZFZ-PKOBYXMFSA-N 2 1 304.478 3.098 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414789244 433832351 /nfs/dbraw/zinc/83/23/51/433832351.db2.gz YEWBZIWKVWEXJC-HZPDHXFCSA-N 2 1 313.420 3.195 20 0 DGADMP CCCCCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC ZINC000414787770 433834236 /nfs/dbraw/zinc/83/42/36/433834236.db2.gz LOKSIDPICDCWPX-UHFFFAOYSA-N 2 1 306.450 3.106 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414790314 433840552 /nfs/dbraw/zinc/84/05/52/433840552.db2.gz GKOMWSXLLXDGIF-QGZVFWFLSA-N 2 1 308.429 3.098 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000414794061 433840865 /nfs/dbraw/zinc/84/08/65/433840865.db2.gz LDOCUANTHLRDPF-GFCCVEGCSA-N 2 1 305.647 3.175 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414799662 433842257 /nfs/dbraw/zinc/84/22/57/433842257.db2.gz KHGWDMUDMZEPPB-GDBMZVCRSA-N 2 1 301.459 3.417 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000414798956 433844322 /nfs/dbraw/zinc/84/43/22/433844322.db2.gz CUONZOPELBYGQV-HNNXBMFYSA-N 2 1 300.368 3.355 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376086919 293611620 /nfs/dbraw/zinc/61/16/20/293611620.db2.gz WIQBHEPFSVLCTP-IAGOWNOFSA-N 2 1 315.465 3.021 20 0 DGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357068276 433851214 /nfs/dbraw/zinc/85/12/14/433851214.db2.gz DRYKUXLLAGEGNP-AWEZNQCLSA-N 2 1 319.474 3.087 20 0 DGADMP C[C@H](c1cccs1)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357079640 433855774 /nfs/dbraw/zinc/85/57/74/433855774.db2.gz MLNFFDHEAAZMCW-OAHLLOKOSA-N 2 1 304.459 3.287 20 0 DGADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357078199 433856176 /nfs/dbraw/zinc/85/61/76/433856176.db2.gz BTSLHBKPBBCESQ-LBPRGKRZSA-N 2 1 316.367 3.206 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335660 433856265 /nfs/dbraw/zinc/85/62/65/433856265.db2.gz HRDZLEMAHDXHNH-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335660 433856272 /nfs/dbraw/zinc/85/62/72/433856272.db2.gz HRDZLEMAHDXHNH-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335660 433856280 /nfs/dbraw/zinc/85/62/80/433856280.db2.gz HRDZLEMAHDXHNH-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000377335660 433856289 /nfs/dbraw/zinc/85/62/89/433856289.db2.gz HRDZLEMAHDXHNH-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000293763457 433857450 /nfs/dbraw/zinc/85/74/50/433857450.db2.gz SGFBVUCTUIQXMZ-NEPJUHHUSA-N 2 1 316.392 3.145 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)C1 ZINC000414842210 433878204 /nfs/dbraw/zinc/87/82/04/433878204.db2.gz YTMDAILYPFZRBK-UXPWSPDFSA-N 2 1 309.457 3.112 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414820655 433860872 /nfs/dbraw/zinc/86/08/72/433860872.db2.gz APHDKTPKHLURDT-MRXNPFEDSA-N 2 1 310.441 3.451 20 0 DGADMP CC[N@@H+](CCOCC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000357094866 433860869 /nfs/dbraw/zinc/86/08/69/433860869.db2.gz ZBEKOYDINZZNGF-GFCCVEGCSA-N 2 1 304.356 3.064 20 0 DGADMP c1ccc(CN2CCCO[C@@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211260 433861218 /nfs/dbraw/zinc/86/12/18/433861218.db2.gz TUUWMUUXWBIQGZ-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414824405 433861876 /nfs/dbraw/zinc/86/18/76/433861876.db2.gz FONJZBAFHFNQLP-JTQLQIEISA-N 2 1 304.768 3.031 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512047 433870683 /nfs/dbraw/zinc/87/06/83/433870683.db2.gz JXRREXXJRBKENV-LFGUQSLTSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512047 433870688 /nfs/dbraw/zinc/87/06/88/433870688.db2.gz JXRREXXJRBKENV-LFGUQSLTSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512047 433870693 /nfs/dbraw/zinc/87/06/93/433870693.db2.gz JXRREXXJRBKENV-LFGUQSLTSA-N 2 1 315.505 3.142 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512047 433870697 /nfs/dbraw/zinc/87/06/97/433870697.db2.gz JXRREXXJRBKENV-LFGUQSLTSA-N 2 1 315.505 3.142 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512047 433870703 /nfs/dbraw/zinc/87/07/03/433870703.db2.gz JXRREXXJRBKENV-LFGUQSLTSA-N 2 1 315.505 3.142 20 0 DGADMP CCC(CC)C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427184 433871663 /nfs/dbraw/zinc/87/16/63/433871663.db2.gz LWTCVLBQLONBDP-QGZVFWFLSA-N 2 1 318.509 3.283 20 0 DGADMP Cc1noc(C2CCC([NH2+]C[C@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC000377396565 293653980 /nfs/dbraw/zinc/65/39/80/293653980.db2.gz ZYJVAKXIBSMJLB-OFLPRAFFSA-N 2 1 320.481 3.114 20 0 DGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414880200 433898775 /nfs/dbraw/zinc/89/87/75/433898775.db2.gz JUDCFMXBXILXFB-HUUCEWRRSA-N 2 1 311.267 3.112 20 0 DGADMP COc1ccc(Oc2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)cc2)cc1 ZINC000414885067 433898858 /nfs/dbraw/zinc/89/88/58/433898858.db2.gz GAILEXXHJHUCQX-IBGZPJMESA-N 2 1 312.413 3.314 20 0 DGADMP Cc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000414896612 433906526 /nfs/dbraw/zinc/90/65/26/433906526.db2.gz CGWIEMHXOQRDRV-OAHLLOKOSA-N 2 1 311.267 3.237 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357226440 433915118 /nfs/dbraw/zinc/91/51/18/433915118.db2.gz CLHVSQYSWGDFSQ-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP COc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)sc2c1 ZINC000422561323 433918970 /nfs/dbraw/zinc/91/89/70/433918970.db2.gz KPWFMFXPFMYPAN-AVGNSLFASA-N 2 1 319.474 3.110 20 0 DGADMP COc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)sc2c1 ZINC000422561323 433918981 /nfs/dbraw/zinc/91/89/81/433918981.db2.gz KPWFMFXPFMYPAN-AVGNSLFASA-N 2 1 319.474 3.110 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(OCCC)c1 ZINC000414940599 433924812 /nfs/dbraw/zinc/92/48/12/433924812.db2.gz BVZJXFJHQBRUOL-NVXWUHKLSA-N 2 1 320.477 3.494 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436275206 433925309 /nfs/dbraw/zinc/92/53/09/433925309.db2.gz YHQTXHJSQCLHRD-AWEZNQCLSA-N 2 1 318.490 3.492 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436275206 433925317 /nfs/dbraw/zinc/92/53/17/433925317.db2.gz YHQTXHJSQCLHRD-AWEZNQCLSA-N 2 1 318.490 3.492 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC000377615637 433926642 /nfs/dbraw/zinc/92/66/42/433926642.db2.gz MYKFJHMYKJSBQA-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414935725 433927011 /nfs/dbraw/zinc/92/70/11/433927011.db2.gz UQIUQTQYMQVFQQ-LALPHHSUSA-N 2 1 300.368 3.397 20 0 DGADMP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436289942 433931277 /nfs/dbraw/zinc/93/12/77/433931277.db2.gz XWNPZSNFNXYAQN-AKHDSKFASA-N 2 1 318.505 3.331 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414944469 433931556 /nfs/dbraw/zinc/93/15/56/433931556.db2.gz GUZXLQPNIFHHAZ-DOTOQJQBSA-N 2 1 312.461 3.226 20 0 DGADMP CCCOc1c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cccc1OCC ZINC000414944525 433932045 /nfs/dbraw/zinc/93/20/45/433932045.db2.gz GYCZXNLQGSDKRC-HOCLYGCPSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414845411 433879422 /nfs/dbraw/zinc/87/94/22/433879422.db2.gz DJMWGQPRBXKSSR-GHMZBOCLSA-N 2 1 304.331 3.322 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000293827844 433882302 /nfs/dbraw/zinc/88/23/02/433882302.db2.gz DQHLVKKBFHMPFP-DLBZAZTESA-N 2 1 304.478 3.425 20 0 DGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414861933 433893179 /nfs/dbraw/zinc/89/31/79/433893179.db2.gz WYTRQIBDXZMQIE-STQMWFEESA-N 2 1 311.267 3.235 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OC)c(OC)c1 ZINC000285437195 433948262 /nfs/dbraw/zinc/94/82/62/433948262.db2.gz LCCMGHGCXZVNMJ-HOTGVXAUSA-N 2 1 306.450 3.229 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721104 433948873 /nfs/dbraw/zinc/94/88/73/433948873.db2.gz UNFZNRAPFJAVCP-OALUTQOASA-N 3 1 301.478 3.377 20 0 DGADMP N[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721104 433948884 /nfs/dbraw/zinc/94/88/84/433948884.db2.gz UNFZNRAPFJAVCP-OALUTQOASA-N 2 1 301.478 3.377 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414974970 433949835 /nfs/dbraw/zinc/94/98/35/433949835.db2.gz OATMKNOHPGOJEP-CYBMUJFWSA-N 2 1 307.488 3.349 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422726955 433951190 /nfs/dbraw/zinc/95/11/90/433951190.db2.gz AYTLTEDVZFQVIB-FOIQADDNSA-N 2 1 307.441 3.259 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340173354 433956831 /nfs/dbraw/zinc/95/68/31/433956831.db2.gz GISRZIBWINQSLY-RBUKOAKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173354 433956836 /nfs/dbraw/zinc/95/68/36/433956836.db2.gz GISRZIBWINQSLY-RBUKOAKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173354 433956847 /nfs/dbraw/zinc/95/68/47/433956847.db2.gz GISRZIBWINQSLY-RBUKOAKNSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340176944 433958063 /nfs/dbraw/zinc/95/80/63/433958063.db2.gz JBHGVEIEMQZTPF-SFHVURJKSA-N 2 1 307.526 3.107 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000285473479 433959947 /nfs/dbraw/zinc/95/99/47/433959947.db2.gz NZZZSKPQJWSDMV-MRXNPFEDSA-N 2 1 302.462 3.187 20 0 DGADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422735235 433961180 /nfs/dbraw/zinc/96/11/80/433961180.db2.gz DQHATRMHCNYAQI-WOJBJXKFSA-N 3 1 315.505 3.191 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422733050 433961781 /nfs/dbraw/zinc/96/17/81/433961781.db2.gz AQKXRLINKDKLIG-NCXUSEDFSA-N 2 1 307.526 3.151 20 0 DGADMP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422733050 433961789 /nfs/dbraw/zinc/96/17/89/433961789.db2.gz AQKXRLINKDKLIG-NCXUSEDFSA-N 2 1 307.526 3.151 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000340183751 433963506 /nfs/dbraw/zinc/96/35/06/433963506.db2.gz BPZJOQUEYQGEIT-XSLAGTTESA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000340183751 433963514 /nfs/dbraw/zinc/96/35/14/433963514.db2.gz BPZJOQUEYQGEIT-XSLAGTTESA-N 2 1 322.493 3.105 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCC2CC2)C[C@@H]1c1ccccc1 ZINC000340183900 433965852 /nfs/dbraw/zinc/96/58/52/433965852.db2.gz WPUJCCMFMBHYBD-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)C[C@@H]1c1ccccc1 ZINC000340183900 433965864 /nfs/dbraw/zinc/96/58/64/433965864.db2.gz WPUJCCMFMBHYBD-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340191425 433974490 /nfs/dbraw/zinc/97/44/90/433974490.db2.gz PONMRPAHXBONSD-RBUKOAKNSA-N 2 1 312.461 3.007 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422764016 433981402 /nfs/dbraw/zinc/98/14/02/433981402.db2.gz PGLRBQSSSMONQD-HZMBPMFUSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000422775218 433986107 /nfs/dbraw/zinc/98/61/07/433986107.db2.gz ARRGIOGEXQUIRI-AKHDSKFASA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000340207721 433987114 /nfs/dbraw/zinc/98/71/14/433987114.db2.gz JFXDSBNXEMMQCH-HNJRGHQBSA-N 2 1 316.489 3.269 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294084194 433992001 /nfs/dbraw/zinc/99/20/01/433992001.db2.gz RFIQCSDOJYWROL-PIKOESSRSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)CC[NH2+]1 ZINC000414960245 433938030 /nfs/dbraw/zinc/93/80/30/433938030.db2.gz YABTXAYPRNZJPN-ONGXEEELSA-N 2 1 317.658 3.333 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)CC[NH2+]1 ZINC000414960244 433940741 /nfs/dbraw/zinc/94/07/41/433940741.db2.gz YABTXAYPRNZJPN-MWLCHTKSSA-N 2 1 317.658 3.333 20 0 DGADMP O[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000285593089 434003903 /nfs/dbraw/zinc/00/39/03/434003903.db2.gz KWZDIMORLHTVDI-MISYRCLQSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000285593089 434003912 /nfs/dbraw/zinc/00/39/12/434003912.db2.gz KWZDIMORLHTVDI-MISYRCLQSA-N 2 1 314.473 3.059 20 0 DGADMP CC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357420544 434008380 /nfs/dbraw/zinc/00/83/80/434008380.db2.gz XAXYPEKGLDVZKL-YESZJQIVSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000285611692 434014079 /nfs/dbraw/zinc/01/40/79/434014079.db2.gz KHDLIQBNLIXQEC-HUUCEWRRSA-N 2 1 306.450 3.005 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340253731 434016150 /nfs/dbraw/zinc/01/61/50/434016150.db2.gz BPFJPVVWGOMKDB-AHRSYUTCSA-N 2 1 309.457 3.438 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340253731 434016156 /nfs/dbraw/zinc/01/61/56/434016156.db2.gz BPFJPVVWGOMKDB-AHRSYUTCSA-N 2 1 309.457 3.438 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@H]1c1cccs1 ZINC000340262675 434020249 /nfs/dbraw/zinc/02/02/49/434020249.db2.gz ZTFHCPYEVXUPJK-BMFZPTHFSA-N 2 1 308.491 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@H]1c1cccs1 ZINC000340262675 434020263 /nfs/dbraw/zinc/02/02/63/434020263.db2.gz ZTFHCPYEVXUPJK-BMFZPTHFSA-N 2 1 308.491 3.288 20 0 DGADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1F ZINC000422819924 434023319 /nfs/dbraw/zinc/02/33/19/434023319.db2.gz OJXUHEWUTGLPMA-STQMWFEESA-N 2 1 303.381 3.141 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(OC2CCCC2)c1 ZINC000422819621 434025081 /nfs/dbraw/zinc/02/50/81/434025081.db2.gz IPXXRJPQBZEOHM-HUUCEWRRSA-N 2 1 318.461 3.104 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000377884745 434029275 /nfs/dbraw/zinc/02/92/75/434029275.db2.gz PINOIXODOAKFKE-HNNXBMFYSA-N 2 1 307.507 3.430 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)c2ccccc21 ZINC000422825407 434031615 /nfs/dbraw/zinc/03/16/15/434031615.db2.gz AEOYGAXMZXUIMY-VQTJNVASSA-N 2 1 318.424 3.166 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000305105150 434040520 /nfs/dbraw/zinc/04/05/20/434040520.db2.gz BDKQTCRGLSCSQC-SZVBFZGTSA-N 2 1 320.477 3.120 20 0 DGADMP CCOCc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422834275 434041386 /nfs/dbraw/zinc/04/13/86/434041386.db2.gz NPROWRHMRPBYGO-OXQOHEQNSA-N 2 1 312.457 3.271 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000401817241 293868928 /nfs/dbraw/zinc/86/89/28/293868928.db2.gz XZVPJBJRXGMTRI-HNNXBMFYSA-N 2 1 320.234 3.002 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000285698689 434044261 /nfs/dbraw/zinc/04/42/61/434044261.db2.gz OTBVOZWCLJNQRV-ZYRRHWMLSA-N 2 1 324.415 3.337 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000285698689 434044264 /nfs/dbraw/zinc/04/42/64/434044264.db2.gz OTBVOZWCLJNQRV-ZYRRHWMLSA-N 2 1 324.415 3.337 20 0 DGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340300648 434045224 /nfs/dbraw/zinc/04/52/24/434045224.db2.gz KKUVJHARQCYOEH-RTBURBONSA-N 2 1 324.472 3.227 20 0 DGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340300648 434045236 /nfs/dbraw/zinc/04/52/36/434045236.db2.gz KKUVJHARQCYOEH-RTBURBONSA-N 2 1 324.472 3.227 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840449 434045566 /nfs/dbraw/zinc/04/55/66/434045566.db2.gz SYGXCIPQWXEEDU-SOLBZPMBSA-N 2 1 321.534 3.080 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C2CC2)c1 ZINC000340229368 433994910 /nfs/dbraw/zinc/99/49/10/433994910.db2.gz VNSIAYIWVQDUQT-QGZVFWFLSA-N 2 1 315.505 3.242 20 0 DGADMP C[N@H+](C[C@H](O)c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304338421 433999410 /nfs/dbraw/zinc/99/94/10/433999410.db2.gz XTHPWTUFMQNSOI-FPOVZHCZSA-N 2 1 324.468 3.174 20 0 DGADMP C[N@@H+](C[C@H](O)c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304338421 433999420 /nfs/dbraw/zinc/99/94/20/433999420.db2.gz XTHPWTUFMQNSOI-FPOVZHCZSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@H](O)c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000304338421 433999426 /nfs/dbraw/zinc/99/94/26/433999426.db2.gz XTHPWTUFMQNSOI-FPOVZHCZSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000304338421 433999436 /nfs/dbraw/zinc/99/94/36/433999436.db2.gz XTHPWTUFMQNSOI-FPOVZHCZSA-N 2 1 324.468 3.174 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000422790096 434002768 /nfs/dbraw/zinc/00/27/68/434002768.db2.gz USLPJGSLYOBKAG-IJEWVQPXSA-N 2 1 307.869 3.039 20 0 DGADMP CC[C@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000357415040 434002744 /nfs/dbraw/zinc/00/27/44/434002744.db2.gz HMGBNQNGOFBPHN-HKUYNNGSSA-N 2 1 303.494 3.001 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]1 ZINC000414952911 293892335 /nfs/dbraw/zinc/89/23/35/293892335.db2.gz REIGJPUDQVQAOQ-ONGXEEELSA-N 2 1 304.768 3.172 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCCC(C)C ZINC000414957280 293894087 /nfs/dbraw/zinc/89/40/87/293894087.db2.gz VZWSGHZJZJSDNV-WBVHZDCISA-N 2 1 320.477 3.350 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422866191 434064432 /nfs/dbraw/zinc/06/44/32/434064432.db2.gz QALRBEZCWMEWCY-HUUCEWRRSA-N 3 1 300.450 3.349 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422866859 434066893 /nfs/dbraw/zinc/06/68/93/434066893.db2.gz RANQUCHXLUWQTD-MOPGFXCFSA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422866859 434066900 /nfs/dbraw/zinc/06/69/00/434066900.db2.gz RANQUCHXLUWQTD-MOPGFXCFSA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422866859 434066910 /nfs/dbraw/zinc/06/69/10/434066910.db2.gz RANQUCHXLUWQTD-MOPGFXCFSA-N 3 1 303.494 3.276 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422868816 434068441 /nfs/dbraw/zinc/06/84/41/434068441.db2.gz WEVFABLDKYQSHN-DLBZAZTESA-N 3 1 303.494 3.136 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422877437 434072053 /nfs/dbraw/zinc/07/20/53/434072053.db2.gz HSUPWTYCALNYAW-LTFPAQTLSA-N 2 1 301.478 3.087 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422873668 434074031 /nfs/dbraw/zinc/07/40/31/434074031.db2.gz AZACRKFVQJKKHK-KSZLIROESA-N 3 1 317.521 3.382 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422879980 434077351 /nfs/dbraw/zinc/07/73/51/434077351.db2.gz LFQUTZNSGZMJLE-FCGDIQPGSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422881739 434077775 /nfs/dbraw/zinc/07/77/75/434077775.db2.gz OGWOAJKTHLHZJO-HCXYKTFWSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422879730 434077797 /nfs/dbraw/zinc/07/77/97/434077797.db2.gz KXFYWBJZHKBXEA-WSTZPKSXSA-N 3 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422879730 434077805 /nfs/dbraw/zinc/07/78/05/434077805.db2.gz KXFYWBJZHKBXEA-WSTZPKSXSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422879730 434077814 /nfs/dbraw/zinc/07/78/14/434077814.db2.gz KXFYWBJZHKBXEA-WSTZPKSXSA-N 2 1 317.521 3.189 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000422897775 434090838 /nfs/dbraw/zinc/09/08/38/434090838.db2.gz CTMBBPQBKJGJKI-QOKNQOGYSA-N 2 1 311.429 3.313 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1O ZINC000353379999 434091293 /nfs/dbraw/zinc/09/12/93/434091293.db2.gz ASABQFMLVBHVMJ-OAGGEKHMSA-N 2 1 320.477 3.419 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422895878 434091980 /nfs/dbraw/zinc/09/19/80/434091980.db2.gz XCZKMTISTFIPKK-KUHUBIRLSA-N 2 1 318.509 3.010 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309747828 434095556 /nfs/dbraw/zinc/09/55/56/434095556.db2.gz VAUHBYMRRZQDNE-NJAFHUGGSA-N 2 1 304.503 3.240 20 0 DGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340302336 434048949 /nfs/dbraw/zinc/04/89/49/434048949.db2.gz QZGLDVLVNMWJEY-LMCOJAPRSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340302336 434048955 /nfs/dbraw/zinc/04/89/55/434048955.db2.gz QZGLDVLVNMWJEY-LMCOJAPRSA-N 2 1 315.505 3.140 20 0 DGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340302336 434048968 /nfs/dbraw/zinc/04/89/68/434048968.db2.gz QZGLDVLVNMWJEY-LMCOJAPRSA-N 2 1 315.505 3.140 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422849780 434052114 /nfs/dbraw/zinc/05/21/14/434052114.db2.gz COPFZIOTJDTMDZ-RLFYNMQTSA-N 3 1 312.461 3.219 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285747001 434053298 /nfs/dbraw/zinc/05/32/98/434053298.db2.gz RKSKONIYTNMQGZ-CQSZACIVSA-N 2 1 306.450 3.147 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000285747058 434053513 /nfs/dbraw/zinc/05/35/13/434053513.db2.gz YMTWCPXIOFEDHY-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000285747058 434053519 /nfs/dbraw/zinc/05/35/19/434053519.db2.gz YMTWCPXIOFEDHY-HXUWFJFHSA-N 2 1 314.473 3.011 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310274 434054603 /nfs/dbraw/zinc/05/46/03/434054603.db2.gz LILSFDABTJGOKM-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310274 434054615 /nfs/dbraw/zinc/05/46/15/434054615.db2.gz LILSFDABTJGOKM-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP CC[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422855067 434054860 /nfs/dbraw/zinc/05/48/60/434054860.db2.gz DGYDMGXXJXZALQ-OALUTQOASA-N 2 1 303.494 3.147 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317350 434054983 /nfs/dbraw/zinc/05/49/83/434054983.db2.gz PAWDRTJGVNYGIA-YDZRNGNQSA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317350 434054995 /nfs/dbraw/zinc/05/49/95/434054995.db2.gz PAWDRTJGVNYGIA-YDZRNGNQSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340318063 434056056 /nfs/dbraw/zinc/05/60/56/434056056.db2.gz SUOYFBWSBZNWQH-QYZOEREBSA-N 2 1 316.489 3.209 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340318063 434056066 /nfs/dbraw/zinc/05/60/66/434056066.db2.gz SUOYFBWSBZNWQH-QYZOEREBSA-N 2 1 316.489 3.209 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340392773 434102254 /nfs/dbraw/zinc/10/22/54/434102254.db2.gz ZYTHOPIVNDMGQL-GUDVDZBRSA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340392773 434102260 /nfs/dbraw/zinc/10/22/60/434102260.db2.gz ZYTHOPIVNDMGQL-GUDVDZBRSA-N 2 1 302.462 3.227 20 0 DGADMP Cc1cc(CNc2cc[nH+]c(C)c2Cl)cc(N2CCCC2)[nH+]1 ZINC000357623408 434105443 /nfs/dbraw/zinc/10/54/43/434105443.db2.gz QVZXQDIGZRWCTQ-UHFFFAOYSA-N 2 1 316.836 3.381 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340397835 434105875 /nfs/dbraw/zinc/10/58/75/434105875.db2.gz WIGKMRXYRXBMRH-NZSAHSFTSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397835 434105893 /nfs/dbraw/zinc/10/58/93/434105893.db2.gz WIGKMRXYRXBMRH-NZSAHSFTSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340397831 434106338 /nfs/dbraw/zinc/10/63/38/434106338.db2.gz WIGKMRXYRXBMRH-BHIYHBOVSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397831 434106348 /nfs/dbraw/zinc/10/63/48/434106348.db2.gz WIGKMRXYRXBMRH-BHIYHBOVSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422914603 434107207 /nfs/dbraw/zinc/10/72/07/434107207.db2.gz UXRUNVGMGGLVEK-VQIMIIECSA-N 2 1 303.494 3.147 20 0 DGADMP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311701365 434115470 /nfs/dbraw/zinc/11/54/70/434115470.db2.gz MBZWMYLGVXWUOK-MELADBBJSA-N 2 1 323.278 3.442 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000422930634 434116794 /nfs/dbraw/zinc/11/67/94/434116794.db2.gz VHSPPFVIWJEBBH-ZBEGNZNMSA-N 2 1 317.820 3.286 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000422930631 434116834 /nfs/dbraw/zinc/11/68/34/434116834.db2.gz VHSPPFVIWJEBBH-BDJLRTHQSA-N 2 1 317.820 3.286 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422936836 434122988 /nfs/dbraw/zinc/12/29/88/434122988.db2.gz CAVVIXIBECCTNZ-RBSFLKMASA-N 2 1 308.491 3.011 20 0 DGADMP Fc1ccc(OCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422934857 434119551 /nfs/dbraw/zinc/11/95/51/434119551.db2.gz GMVMUFYJDKUTSY-IEBWSBKVSA-N 2 1 314.404 3.287 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000309816127 434101112 /nfs/dbraw/zinc/10/11/12/434101112.db2.gz XWJNRYZKSMUSIY-FQEVSTJZSA-N 2 1 316.489 3.305 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000309880823 434101674 /nfs/dbraw/zinc/10/16/74/434101674.db2.gz VXFBXSWPXFPNAZ-UXHICEINSA-N 2 1 316.489 3.305 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499228713 294081467 /nfs/dbraw/zinc/08/14/67/294081467.db2.gz MMAODDAJBWXSMU-IYWMVGAKSA-N 2 1 316.489 3.179 20 0 DGADMP CCCCC[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500072056 294102590 /nfs/dbraw/zinc/10/25/90/294102590.db2.gz GEXPLUUOAGVUMI-LJQANCHMSA-N 2 1 309.542 3.447 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000502041904 294156359 /nfs/dbraw/zinc/15/63/59/294156359.db2.gz AHEIJADDZJOXRT-AABGKKOBSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000502041904 294156360 /nfs/dbraw/zinc/15/63/60/294156360.db2.gz AHEIJADDZJOXRT-AABGKKOBSA-N 2 1 316.489 3.182 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000502254986 294161024 /nfs/dbraw/zinc/16/10/24/294161024.db2.gz XPOILHYFUPHUNH-HKUYNNGSSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000502254986 294161027 /nfs/dbraw/zinc/16/10/27/294161027.db2.gz XPOILHYFUPHUNH-HKUYNNGSSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000502254986 294161031 /nfs/dbraw/zinc/16/10/31/294161031.db2.gz XPOILHYFUPHUNH-HKUYNNGSSA-N 2 1 302.462 3.174 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000422944445 434127492 /nfs/dbraw/zinc/12/74/92/434127492.db2.gz SBPXLETVFNEMNK-WDEREUQCSA-N 2 1 303.269 3.260 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2OC)C[C@H]1C ZINC000505602842 294244771 /nfs/dbraw/zinc/24/47/71/294244771.db2.gz AICBCDAOAGBCHH-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2OC)C[C@H]1C ZINC000505602842 294244773 /nfs/dbraw/zinc/24/47/73/294244773.db2.gz AICBCDAOAGBCHH-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2OC)C[C@H]1C ZINC000505602842 294244775 /nfs/dbraw/zinc/24/47/75/294244775.db2.gz AICBCDAOAGBCHH-AEFFLSMTSA-N 2 1 304.478 3.432 20 0 DGADMP c1coc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000507481470 294300776 /nfs/dbraw/zinc/30/07/76/294300776.db2.gz CWBHJJKBDBMXOZ-DFQSSKMNSA-N 2 1 310.441 3.322 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000378297565 434131506 /nfs/dbraw/zinc/13/15/06/434131506.db2.gz VIFLOJJCLCCAMY-UHFFFAOYSA-N 2 1 316.424 3.297 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510159763 294376732 /nfs/dbraw/zinc/37/67/32/294376732.db2.gz MQSXJNACRPRJSS-TWMKSMIVSA-N 2 1 304.478 3.279 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510159763 294376734 /nfs/dbraw/zinc/37/67/34/294376734.db2.gz MQSXJNACRPRJSS-TWMKSMIVSA-N 2 1 304.478 3.279 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422947502 434132940 /nfs/dbraw/zinc/13/29/40/434132940.db2.gz QITUDNRXGSSSCV-QMTHXVAHSA-N 2 1 315.230 3.066 20 0 DGADMP CC(C)[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286015425 434135816 /nfs/dbraw/zinc/13/58/16/434135816.db2.gz JKUVYFPVJDZXKM-CTWPCTMYSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422956858 434137530 /nfs/dbraw/zinc/13/75/30/434137530.db2.gz MFAGCDDQSSFLDX-WMLDXEAASA-N 2 1 322.880 3.118 20 0 DGADMP FCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353454783 434141034 /nfs/dbraw/zinc/14/10/34/434141034.db2.gz LSSSUYIJBZFMKU-MOPGFXCFSA-N 2 1 320.452 3.137 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422968695 434144398 /nfs/dbraw/zinc/14/43/98/434144398.db2.gz RWSWRZLLSOBADG-WBQNTZJQSA-N 2 1 304.409 3.160 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422968125 434145060 /nfs/dbraw/zinc/14/50/60/434145060.db2.gz VQPGNUHIYDAIMZ-ZSZQSSIHSA-N 2 1 312.413 3.495 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000422992177 434152959 /nfs/dbraw/zinc/15/29/59/434152959.db2.gz QVHCIZCXWKKMDO-NVXWUHKLSA-N 2 1 318.461 3.248 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422996201 434158080 /nfs/dbraw/zinc/15/80/80/434158080.db2.gz LHFSTQIMLDATJU-SXLOBPIMSA-N 2 1 317.521 3.045 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294995260 434158133 /nfs/dbraw/zinc/15/81/33/434158133.db2.gz HVTFYCIZKHVLDZ-FMKPAKJESA-N 2 1 310.532 3.301 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294995260 434158140 /nfs/dbraw/zinc/15/81/40/434158140.db2.gz HVTFYCIZKHVLDZ-FMKPAKJESA-N 2 1 310.532 3.301 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422999999 434160165 /nfs/dbraw/zinc/16/01/65/434160165.db2.gz GLSYRJRXBBURRT-ZHALLVOQSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006913 434161593 /nfs/dbraw/zinc/16/15/93/434161593.db2.gz WUFCCRQYLZTDDT-BMFAXAFESA-N 3 1 303.494 3.003 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002785 434162419 /nfs/dbraw/zinc/16/24/19/434162419.db2.gz JQDJGOJLAMJXBA-WSTZPKSXSA-N 3 1 317.521 3.394 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000340499457 434168766 /nfs/dbraw/zinc/16/87/66/434168766.db2.gz NZQNVEZXXKZWBW-XVLXNVKGSA-N 2 1 316.489 3.321 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000423023166 434171202 /nfs/dbraw/zinc/17/12/02/434171202.db2.gz JGEOVYKXIBADEX-KURKYZTESA-N 2 1 308.510 3.340 20 0 DGADMP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024101 434172035 /nfs/dbraw/zinc/17/20/35/434172035.db2.gz IQTBHKWKMKLHNL-DXBFTMOHSA-N 2 1 306.837 3.426 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)([NH+](C)C)C1 ZINC000315787282 434173470 /nfs/dbraw/zinc/17/34/70/434173470.db2.gz FZUBAFKQZSJGPS-BCDMZGRMSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)C1C[NH2+]C1 ZINC000423030281 434176123 /nfs/dbraw/zinc/17/61/23/434176123.db2.gz VYDWXRMVSQSBSD-SCLBCKFNSA-N 2 1 315.848 3.216 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450434578 434180724 /nfs/dbraw/zinc/18/07/24/434180724.db2.gz DDIZDDZNSONLPZ-MOPGFXCFSA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000450434578 434180738 /nfs/dbraw/zinc/18/07/38/434180738.db2.gz DDIZDDZNSONLPZ-MOPGFXCFSA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000450434578 434180748 /nfs/dbraw/zinc/18/07/48/434180748.db2.gz DDIZDDZNSONLPZ-MOPGFXCFSA-N 2 1 304.478 3.050 20 0 DGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C)c1 ZINC000286150701 434181025 /nfs/dbraw/zinc/18/10/25/434181025.db2.gz PJUHKJOTOJQVIM-IBGZPJMESA-N 2 1 303.494 3.063 20 0 DGADMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)O ZINC000295074137 434183781 /nfs/dbraw/zinc/18/37/81/434183781.db2.gz SHIDAMATZHDPND-CXAGYDPISA-N 2 1 301.434 3.381 20 0 DGADMP COc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000295080210 434188396 /nfs/dbraw/zinc/18/83/96/434188396.db2.gz TVEKAVMRFWXKFM-DVOMOZLQSA-N 2 1 310.869 3.209 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CCO2 ZINC000423051609 434192497 /nfs/dbraw/zinc/19/24/97/434192497.db2.gz OUAOYBSCXXLPNZ-VKJFTORMSA-N 2 1 318.461 3.419 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286196869 434192477 /nfs/dbraw/zinc/19/24/77/434192477.db2.gz XSTLXLBWNJVNQH-AABGKKOBSA-N 2 1 316.489 3.223 20 0 DGADMP Brc1cccc(C[C@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423057220 434192813 /nfs/dbraw/zinc/19/28/13/434192813.db2.gz YUOYSYSSUXIMCJ-CVEARBPZSA-N 2 1 323.278 3.112 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1=CCCCC1 ZINC000423052281 434192966 /nfs/dbraw/zinc/19/29/66/434192966.db2.gz PLSQFZPNRXATPH-RCCFBDPRSA-N 2 1 306.494 3.260 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423061524 434196953 /nfs/dbraw/zinc/19/69/53/434196953.db2.gz RBMKZYOEVZTHMT-DOMZBBRYSA-N 2 1 312.379 3.325 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061400 434197189 /nfs/dbraw/zinc/19/71/89/434197189.db2.gz KQMKDWSXXFXOSA-HSALFYBXSA-N 2 1 315.505 3.004 20 0 DGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061400 434197196 /nfs/dbraw/zinc/19/71/96/434197196.db2.gz KQMKDWSXXFXOSA-HSALFYBXSA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)Oc1ccc2[nH+]ccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2c1 ZINC000450488919 434220894 /nfs/dbraw/zinc/22/08/94/434220894.db2.gz YGUVPGUZMLGICT-GASCZTMLSA-N 2 1 311.429 3.020 20 0 DGADMP CCC1(CC)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423068961 434204280 /nfs/dbraw/zinc/20/42/80/434204280.db2.gz KYJUVHZSEIQQOZ-KURKYZTESA-N 2 1 308.510 3.482 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000295112058 434206367 /nfs/dbraw/zinc/20/63/67/434206367.db2.gz XKPGITFFGKNDJY-CZUORRHYSA-N 2 1 310.869 3.211 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@@H](C)C1 ZINC000437095847 434213667 /nfs/dbraw/zinc/21/36/67/434213667.db2.gz KQJRHSZVPNSUIE-FUHWJXTLSA-N 2 1 303.494 3.351 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353548076 434214588 /nfs/dbraw/zinc/21/45/88/434214588.db2.gz UYOCQEYYRZKHBQ-LJQANCHMSA-N 2 1 320.452 3.320 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000437107041 434214615 /nfs/dbraw/zinc/21/46/15/434214615.db2.gz JTXXLTDXKDIQQL-QZTJIDSGSA-N 2 1 301.478 3.248 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353551942 434218685 /nfs/dbraw/zinc/21/86/85/434218685.db2.gz MFZHWVPBICDUGI-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP CCCOc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000295131288 434220096 /nfs/dbraw/zinc/22/00/96/434220096.db2.gz YLRQFQCFBSNNHL-ALOPSCKCSA-N 2 1 318.461 3.199 20 0 DGADMP CCCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000295131288 434220118 /nfs/dbraw/zinc/22/01/18/434220118.db2.gz YLRQFQCFBSNNHL-ALOPSCKCSA-N 2 1 318.461 3.199 20 0 DGADMP CCCCn1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(C)n1 ZINC000423015014 434166657 /nfs/dbraw/zinc/16/66/57/434166657.db2.gz JWGQBIRHFWEVRS-MAUKXSAKSA-N 2 1 306.498 3.392 20 0 DGADMP C[C@@H](CC[NH2+]CCC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379657003 434260324 /nfs/dbraw/zinc/26/03/24/434260324.db2.gz RETSKBCIBNUZEJ-KRWDZBQOSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)C[C@@H]1c1ccccc1 ZINC000423181750 434265922 /nfs/dbraw/zinc/26/59/22/434265922.db2.gz PKWCTEXZUSDKGJ-ZWKOTPCHSA-N 2 1 301.478 3.073 20 0 DGADMP COC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000324061323 434270719 /nfs/dbraw/zinc/27/07/19/434270719.db2.gz XKBDNRONRDDTNA-UHFFFAOYSA-N 2 1 316.489 3.242 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382068321 434273920 /nfs/dbraw/zinc/27/39/20/434273920.db2.gz ROLMUIPQKYTSBT-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423118354 434228145 /nfs/dbraw/zinc/22/81/45/434228145.db2.gz ADSBNJNSXZOUON-OTYXRUKQSA-N 2 1 322.321 3.461 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N(CC)CC)cc1 ZINC000423131785 434239184 /nfs/dbraw/zinc/23/91/84/434239184.db2.gz OJNMHMJJUDVGPV-GJYPPUQNSA-N 2 1 305.510 3.347 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423199676 434281517 /nfs/dbraw/zinc/28/15/17/434281517.db2.gz KMBQYTLTLBODGK-HNNXBMFYSA-N 2 1 300.450 3.058 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000328376800 434284716 /nfs/dbraw/zinc/28/47/16/434284716.db2.gz KTGXTDJRXGPPII-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000295267942 434286320 /nfs/dbraw/zinc/28/63/20/434286320.db2.gz YXRPACVIJNCMDT-IBGZPJMESA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423211008 434287646 /nfs/dbraw/zinc/28/76/46/434287646.db2.gz KLQVCSUFKAAWGM-WDEREUQCSA-N 2 1 315.230 3.238 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423217265 434290480 /nfs/dbraw/zinc/29/04/80/434290480.db2.gz PTWKGLJRTRBHSL-SRVKXCTJSA-N 2 1 316.367 3.466 20 0 DGADMP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000286880179 434293619 /nfs/dbraw/zinc/29/36/19/434293619.db2.gz CITLTMGKJYZIAS-JFROBXPVSA-N 2 1 310.485 3.396 20 0 DGADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423227561 434296488 /nfs/dbraw/zinc/29/64/88/434296488.db2.gz WFLSUIZKMLPUIS-MTFMMBMASA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423227561 434296493 /nfs/dbraw/zinc/29/64/93/434296493.db2.gz WFLSUIZKMLPUIS-MTFMMBMASA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423227561 434296500 /nfs/dbraw/zinc/29/65/00/434296500.db2.gz WFLSUIZKMLPUIS-MTFMMBMASA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3c2cccc3F)C[C@H](C)O1 ZINC000358037810 434298104 /nfs/dbraw/zinc/29/81/04/434298104.db2.gz NRFCBYSSXCTWDQ-KHYOSLBOSA-N 2 1 320.452 3.292 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423233321 434299802 /nfs/dbraw/zinc/29/98/02/434299802.db2.gz DOIAKOGODHFZDU-DUXKGJEZSA-N 2 1 323.484 3.187 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423260610 434318039 /nfs/dbraw/zinc/31/80/39/434318039.db2.gz HRFJKLMBTGDXPG-BEFAXECRSA-N 2 1 312.461 3.431 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Br ZINC000423264471 434323348 /nfs/dbraw/zinc/32/33/48/434323348.db2.gz BZVWGVUHTRNRMW-MFKMUULPSA-N 2 1 315.255 3.092 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCCC2)C[C@H]1c1ccccc1 ZINC000423263737 434323782 /nfs/dbraw/zinc/32/37/82/434323782.db2.gz OUSBZJKHBULUPL-UFYCRDLUSA-N 2 1 315.505 3.319 20 0 DGADMP CC(C)C[C@@H](CN)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423270800 434328610 /nfs/dbraw/zinc/32/86/10/434328610.db2.gz WXRJTRWGXSXJJX-GPJFCIFZSA-N 2 1 317.521 3.393 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423270800 434328625 /nfs/dbraw/zinc/32/86/25/434328625.db2.gz WXRJTRWGXSXJJX-GPJFCIFZSA-N 3 1 317.521 3.393 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423270800 434328635 /nfs/dbraw/zinc/32/86/35/434328635.db2.gz WXRJTRWGXSXJJX-GPJFCIFZSA-N 3 1 317.521 3.393 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000388237444 434332037 /nfs/dbraw/zinc/33/20/37/434332037.db2.gz ZDGQVKYOYVESPG-FCGDIQPGSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000388237444 434332041 /nfs/dbraw/zinc/33/20/41/434332041.db2.gz ZDGQVKYOYVESPG-FCGDIQPGSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000388237444 434332048 /nfs/dbraw/zinc/33/20/48/434332048.db2.gz ZDGQVKYOYVESPG-FCGDIQPGSA-N 3 1 307.526 3.151 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000353677916 434333110 /nfs/dbraw/zinc/33/31/10/434333110.db2.gz CLCPPLGYVJQHTC-CYBMUJFWSA-N 2 1 324.490 3.307 20 0 DGADMP Brc1ccccc1C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423192600 434278224 /nfs/dbraw/zinc/27/82/24/434278224.db2.gz PTSUMIAOHFUXJQ-ZBFHGGJFSA-N 2 1 323.278 3.112 20 0 DGADMP Cc1ccnc(C)c1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000287449439 434362940 /nfs/dbraw/zinc/36/29/40/434362940.db2.gz HXISEDXQSSXXPB-CQSZACIVSA-N 2 1 318.446 3.184 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366224023 434363136 /nfs/dbraw/zinc/36/31/36/434363136.db2.gz VSQAEVVUSUZNLB-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450724879 434364161 /nfs/dbraw/zinc/36/41/61/434364161.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724879 434364170 /nfs/dbraw/zinc/36/41/70/434364170.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724879 434364175 /nfs/dbraw/zinc/36/41/75/434364175.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724879 434364182 /nfs/dbraw/zinc/36/41/82/434364182.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724879 434364187 /nfs/dbraw/zinc/36/41/87/434364187.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 2 1 321.553 3.492 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CCC1 ZINC000423328720 434365170 /nfs/dbraw/zinc/36/51/70/434365170.db2.gz OFKPCDKCAPZCPE-CQSZACIVSA-N 2 1 309.251 3.298 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC34CC4)CC2)cc1 ZINC000417362888 434365647 /nfs/dbraw/zinc/36/56/47/434365647.db2.gz LJXIFVFOASIUKG-INIZCTEOSA-N 2 1 302.437 3.222 20 0 DGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423329738 434366962 /nfs/dbraw/zinc/36/69/62/434366962.db2.gz OURVWRHUYDMHII-FZKQIMNGSA-N 2 1 302.393 3.055 20 0 DGADMP C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390811950 434368974 /nfs/dbraw/zinc/36/89/74/434368974.db2.gz WPHKMYGBUGOJOJ-UKRRQHHQSA-N 2 1 300.368 3.439 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390906417 434375583 /nfs/dbraw/zinc/37/55/83/434375583.db2.gz LATKFPIQORBUMU-FYQPLNBISA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390906417 434375595 /nfs/dbraw/zinc/37/55/95/434375595.db2.gz LATKFPIQORBUMU-FYQPLNBISA-N 2 1 314.473 3.056 20 0 DGADMP Brc1cc2c(s1)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357055 434380837 /nfs/dbraw/zinc/38/08/37/434380837.db2.gz LBTNSXRIWGBYDB-MWLCHTKSSA-N 2 1 315.280 3.230 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[NH2+]1 ZINC000423371105 434382922 /nfs/dbraw/zinc/38/29/22/434382922.db2.gz HKBAILCUZDYHMH-QBIMZIAESA-N 2 1 300.446 3.119 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[NH2+]1 ZINC000423371104 434384958 /nfs/dbraw/zinc/38/49/58/434384958.db2.gz HKBAILCUZDYHMH-MZMPZRCHSA-N 2 1 300.446 3.119 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366300106 434384873 /nfs/dbraw/zinc/38/48/73/434384873.db2.gz QPLKLCBTVRYNAG-RTBURBONSA-N 2 1 315.505 3.156 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)sc1Br ZINC000423275721 434336424 /nfs/dbraw/zinc/33/64/24/434336424.db2.gz NNNZGDOQSADTTK-VHSXEESVSA-N 2 1 305.285 3.453 20 0 DGADMP CCOc1ccc([C@@H](CC)[NH2+][C@H](C[NH3+])C2CC2)cc1OCC ZINC000423285822 434337969 /nfs/dbraw/zinc/33/79/69/434337969.db2.gz YUMAJSMXPMBAGB-HZPDHXFCSA-N 2 1 306.450 3.262 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423281447 434339319 /nfs/dbraw/zinc/33/93/19/434339319.db2.gz BIOYVEDIFLBDJF-OAHLLOKOSA-N 2 1 300.450 3.100 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423284772 434341067 /nfs/dbraw/zinc/34/10/67/434341067.db2.gz YJAMZZZTYDYKEE-TZMCWYRMSA-N 2 1 301.356 3.051 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000366145793 434343864 /nfs/dbraw/zinc/34/38/64/434343864.db2.gz CYPRVEYXPOUEKI-GOSISDBHSA-N 2 1 314.473 3.382 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000423299427 434352025 /nfs/dbraw/zinc/35/20/25/434352025.db2.gz QESSPXFRRRAYCJ-ZTFGCOKTSA-N 2 1 318.461 3.275 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000389850972 434352854 /nfs/dbraw/zinc/35/28/54/434352854.db2.gz VJEIJXAQNVTCIW-DVMWJLJYSA-N 2 1 321.468 3.241 20 0 DGADMP CCC[NH2+]CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423305431 434353074 /nfs/dbraw/zinc/35/30/74/434353074.db2.gz BVPDMGDCVNILRI-UHFFFAOYSA-N 3 1 303.494 3.019 20 0 DGADMP CCCNCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423305431 434353078 /nfs/dbraw/zinc/35/30/78/434353078.db2.gz BVPDMGDCVNILRI-UHFFFAOYSA-N 2 1 303.494 3.019 20 0 DGADMP CCCNCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423305431 434353090 /nfs/dbraw/zinc/35/30/90/434353090.db2.gz BVPDMGDCVNILRI-UHFFFAOYSA-N 2 1 303.494 3.019 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c(OCCC)c1 ZINC000423309398 434353150 /nfs/dbraw/zinc/35/31/50/434353150.db2.gz ZMEFFEJXTLQBMQ-CQSZACIVSA-N 2 1 306.450 3.134 20 0 DGADMP Clc1ccccc1C[C@H]([NH2+]CC1C[NH2+]C1)c1ccsc1 ZINC000423313587 434355498 /nfs/dbraw/zinc/35/54/98/434355498.db2.gz FXUGUEAZUUCXMT-INIZCTEOSA-N 2 1 306.862 3.494 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCO1 ZINC000390575613 434360269 /nfs/dbraw/zinc/36/02/69/434360269.db2.gz CZRSWWJIDCRJDI-QXAKKESOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCO1 ZINC000390575613 434360275 /nfs/dbraw/zinc/36/02/75/434360275.db2.gz CZRSWWJIDCRJDI-QXAKKESOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCO1 ZINC000390575615 434360799 /nfs/dbraw/zinc/36/07/99/434360799.db2.gz CZRSWWJIDCRJDI-WDSOQIARSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCO1 ZINC000390575615 434360804 /nfs/dbraw/zinc/36/08/04/434360804.db2.gz CZRSWWJIDCRJDI-WDSOQIARSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000423372701 434392847 /nfs/dbraw/zinc/39/28/47/434392847.db2.gz IKUSLUQAQZPSCN-HEHGZKQESA-N 2 1 316.424 3.111 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000423381798 434397405 /nfs/dbraw/zinc/39/74/05/434397405.db2.gz OPLWPYFKOKSHTJ-FOGDFJRCSA-N 2 1 302.340 3.218 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000423381797 434398549 /nfs/dbraw/zinc/39/85/49/434398549.db2.gz OPLWPYFKOKSHTJ-CKYFFXLPSA-N 2 1 302.340 3.218 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000394440605 434402390 /nfs/dbraw/zinc/40/23/90/434402390.db2.gz MQAILDMIWZJFJZ-PMACEKPBSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000394440605 434402400 /nfs/dbraw/zinc/40/24/00/434402400.db2.gz MQAILDMIWZJFJZ-PMACEKPBSA-N 2 1 322.452 3.307 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccccc1Br ZINC000423391816 434402775 /nfs/dbraw/zinc/40/27/75/434402775.db2.gz LBOPKDDSOIRQIQ-UGFHNGPFSA-N 2 1 311.267 3.488 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]2(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358656232 434402978 /nfs/dbraw/zinc/40/29/78/434402978.db2.gz XJWDLWLSRNFOFH-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]2(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358656232 434402989 /nfs/dbraw/zinc/40/29/89/434402989.db2.gz XJWDLWLSRNFOFH-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000438101416 434405204 /nfs/dbraw/zinc/40/52/04/434405204.db2.gz GGMFHGOQKNVXIC-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000438101416 434405218 /nfs/dbraw/zinc/40/52/18/434405218.db2.gz GGMFHGOQKNVXIC-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101416 434405227 /nfs/dbraw/zinc/40/52/27/434405227.db2.gz GGMFHGOQKNVXIC-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000438101416 434405242 /nfs/dbraw/zinc/40/52/42/434405242.db2.gz GGMFHGOQKNVXIC-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@@]1(C[NH2+][C@H](CC2CCC2)c2ccccc2)CCC[NH2+]1 ZINC000423415129 434410717 /nfs/dbraw/zinc/41/07/17/434410717.db2.gz OQGQFSZDERKOHE-MOPGFXCFSA-N 2 1 302.462 3.276 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000366412321 434412597 /nfs/dbraw/zinc/41/25/97/434412597.db2.gz BEQHLFJIVKBWNQ-LJQANCHMSA-N 2 1 312.461 3.485 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000366412321 434412606 /nfs/dbraw/zinc/41/26/06/434412606.db2.gz BEQHLFJIVKBWNQ-LJQANCHMSA-N 2 1 312.461 3.485 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000395132778 434413215 /nfs/dbraw/zinc/41/32/15/434413215.db2.gz SINOBMRWXUVLOZ-CYBMUJFWSA-N 2 1 311.267 3.318 20 0 DGADMP CC[N@H+]1CC[C@@H](CN[C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626641 434413608 /nfs/dbraw/zinc/41/36/08/434413608.db2.gz KBCWUJGPXDVNHW-WFASDCNBSA-N 2 1 314.832 3.098 20 0 DGADMP COC[C@@]1(C[NH2+][C@H](CSc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423417384 434415053 /nfs/dbraw/zinc/41/50/53/434415053.db2.gz SGLZEJWRGBCHLR-MSOLQXFVSA-N 2 1 322.518 3.162 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2)n1 ZINC000366546746 434448363 /nfs/dbraw/zinc/44/83/63/434448363.db2.gz WAYNEFZRHWNYNB-FQEVSTJZSA-N 2 1 324.472 3.017 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423429745 434421757 /nfs/dbraw/zinc/42/17/57/434421757.db2.gz KLZPHKKLTAHEPF-FRYIKTPZSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423429745 434421762 /nfs/dbraw/zinc/42/17/62/434421762.db2.gz KLZPHKKLTAHEPF-FRYIKTPZSA-N 2 1 315.505 3.289 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396391954 434422918 /nfs/dbraw/zinc/42/29/18/434422918.db2.gz ZWRMWKCSVKCZRN-WLYUNCDWSA-N 2 1 322.415 3.077 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000366546746 434448372 /nfs/dbraw/zinc/44/83/72/434448372.db2.gz WAYNEFZRHWNYNB-FQEVSTJZSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000366546746 434448381 /nfs/dbraw/zinc/44/83/81/434448381.db2.gz WAYNEFZRHWNYNB-FQEVSTJZSA-N 2 1 324.472 3.017 20 0 DGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423439608 434423326 /nfs/dbraw/zinc/42/33/26/434423326.db2.gz SLZOBNGMMYWFRN-ULLKRIBWSA-N 2 1 308.425 3.231 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423449529 434428658 /nfs/dbraw/zinc/42/86/58/434428658.db2.gz GEUMCQYSDIKCNZ-VBSBHUPXSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423449529 434428666 /nfs/dbraw/zinc/42/86/66/434428666.db2.gz GEUMCQYSDIKCNZ-VBSBHUPXSA-N 2 1 315.505 3.147 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423459129 434433469 /nfs/dbraw/zinc/43/34/69/434433469.db2.gz HRXRJJUUCAAJCQ-BXKDBHETSA-N 2 1 303.269 3.289 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C[NH3+] ZINC000397411460 434437011 /nfs/dbraw/zinc/43/70/11/434437011.db2.gz QZDHZXBLENJZIO-IPYPFGDCSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C[NH3+] ZINC000397411460 434437024 /nfs/dbraw/zinc/43/70/24/434437024.db2.gz QZDHZXBLENJZIO-IPYPFGDCSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423465291 434438364 /nfs/dbraw/zinc/43/83/64/434438364.db2.gz HPAIEBDLTDYDJD-RNQOJCNYSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423465291 434438374 /nfs/dbraw/zinc/43/83/74/434438374.db2.gz HPAIEBDLTDYDJD-RNQOJCNYSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccco1 ZINC000423471456 434439942 /nfs/dbraw/zinc/43/99/42/434439942.db2.gz MCGQOXSBCZICHZ-JLJPHGGASA-N 2 1 302.393 3.463 20 0 DGADMP OCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000287736448 434440760 /nfs/dbraw/zinc/44/07/60/434440760.db2.gz YQAHVWRXLFREHM-SLFFLAALSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423497835 434460165 /nfs/dbraw/zinc/46/01/65/434460165.db2.gz HKIZQOOULITVRZ-SJCJKPOMSA-N 2 1 315.461 3.084 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000360056285 434496332 /nfs/dbraw/zinc/49/63/32/434496332.db2.gz GGUBZCKYUKROAC-DLBZAZTESA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000360056285 434496344 /nfs/dbraw/zinc/49/63/44/434496344.db2.gz GGUBZCKYUKROAC-DLBZAZTESA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000360056285 434496354 /nfs/dbraw/zinc/49/63/54/434496354.db2.gz GGUBZCKYUKROAC-DLBZAZTESA-N 2 1 302.462 3.216 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000522014713 294899850 /nfs/dbraw/zinc/89/98/50/294899850.db2.gz WXHQNOJBCPPOGR-HZPDHXFCSA-N 2 1 315.486 3.288 20 0 DGADMP CC(C)(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423493450 434456200 /nfs/dbraw/zinc/45/62/00/434456200.db2.gz QBTUFNYNCXZOHA-IAGOWNOFSA-N 2 1 308.441 3.271 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@H]1C ZINC000353923787 434527100 /nfs/dbraw/zinc/52/71/00/434527100.db2.gz APGZUQFBLRDRSP-XSLAGTTESA-N 2 1 324.509 3.208 20 0 DGADMP Cc1cc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000353948584 434540146 /nfs/dbraw/zinc/54/01/46/434540146.db2.gz VWONJFFFXJHGRC-AWEZNQCLSA-N 2 1 310.401 3.370 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000417880963 434541401 /nfs/dbraw/zinc/54/14/01/434541401.db2.gz QSJBBUNXILBUTM-CABCVRRESA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000417880963 434541407 /nfs/dbraw/zinc/54/14/07/434541407.db2.gz QSJBBUNXILBUTM-CABCVRRESA-N 2 1 308.491 3.117 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000360235714 434556171 /nfs/dbraw/zinc/55/61/71/434556171.db2.gz XJOXJABAWQXWQS-HNAYVOBHSA-N 2 1 302.462 3.394 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360244094 434559805 /nfs/dbraw/zinc/55/98/05/434559805.db2.gz ZIJXXAXBWHWQAP-WMZOPIPTSA-N 2 1 322.880 3.154 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)F)cc2)CCCO1 ZINC000527237508 295086067 /nfs/dbraw/zinc/08/60/67/295086067.db2.gz IMMRELHZPIPMSG-CQSZACIVSA-N 2 1 312.404 3.215 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538765 295102527 /nfs/dbraw/zinc/10/25/27/295102527.db2.gz HEYKUMMHIQRQDS-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538765 295102528 /nfs/dbraw/zinc/10/25/28/295102528.db2.gz HEYKUMMHIQRQDS-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538765 295102530 /nfs/dbraw/zinc/10/25/30/295102530.db2.gz HEYKUMMHIQRQDS-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000527538765 295102533 /nfs/dbraw/zinc/10/25/33/295102533.db2.gz HEYKUMMHIQRQDS-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000459378092 434574050 /nfs/dbraw/zinc/57/40/50/434574050.db2.gz PYMZTGSPZUGNHM-HOTGVXAUSA-N 2 1 324.900 3.123 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527925369 295151314 /nfs/dbraw/zinc/15/13/14/295151314.db2.gz ARRIZOWRZGCZSW-JXXFODFXSA-N 2 1 300.490 3.500 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1)C(C)C ZINC000423959045 434589665 /nfs/dbraw/zinc/58/96/65/434589665.db2.gz RBGXUQUDJDTUIO-QGZVFWFLSA-N 2 1 319.493 3.020 20 0 DGADMP OCC1([C@@H]([NH2+]CCC[NH+]2CCCCC2)c2cccs2)CCC1 ZINC000452060497 434583777 /nfs/dbraw/zinc/58/37/77/434583777.db2.gz MSRTXCABXWHSRE-KRWDZBQOSA-N 2 1 322.518 3.417 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000166403850 295366136 /nfs/dbraw/zinc/36/61/36/295366136.db2.gz QWFKWDFQPQTHCA-SZMVWBNQSA-N 2 1 304.478 3.335 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000166403850 295366139 /nfs/dbraw/zinc/36/61/39/295366139.db2.gz QWFKWDFQPQTHCA-SZMVWBNQSA-N 2 1 304.478 3.335 20 0 DGADMP C[N@@H+](CCCOCc1ccccc1)CCC[NH+]1CCCCC1 ZINC000439476720 434613660 /nfs/dbraw/zinc/61/36/60/434613660.db2.gz ZVWDLBCWBIFMAX-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP CCCc1csc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349132569 434616184 /nfs/dbraw/zinc/61/61/84/434616184.db2.gz RXAKBVYIXFSUMI-OAHLLOKOSA-N 2 1 307.507 3.259 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000354108688 434622456 /nfs/dbraw/zinc/62/24/56/434622456.db2.gz WUOFINBQRVQOGR-KRWDZBQOSA-N 2 1 310.507 3.298 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424144301 434637211 /nfs/dbraw/zinc/63/72/11/434637211.db2.gz LBRIYDOEYBHWRN-NXHRZFHOSA-N 2 1 323.525 3.005 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H]1C ZINC000354156716 434645982 /nfs/dbraw/zinc/64/59/82/434645982.db2.gz BGURULANXQNSHZ-QSUVVDIXSA-N 2 1 324.509 3.064 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000354083456 434609743 /nfs/dbraw/zinc/60/97/43/434609743.db2.gz NVPYUJRCCKUWPD-KRWDZBQOSA-N 2 1 310.869 3.273 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167421 434652796 /nfs/dbraw/zinc/65/27/96/434652796.db2.gz QIMUUKNENVGPRK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167421 434652801 /nfs/dbraw/zinc/65/28/01/434652801.db2.gz QIMUUKNENVGPRK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167421 434652806 /nfs/dbraw/zinc/65/28/06/434652806.db2.gz QIMUUKNENVGPRK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167421 434652810 /nfs/dbraw/zinc/65/28/10/434652810.db2.gz QIMUUKNENVGPRK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167418 434654437 /nfs/dbraw/zinc/65/44/37/434654437.db2.gz QIMUUKNENVGPRK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167418 434654443 /nfs/dbraw/zinc/65/44/43/434654443.db2.gz QIMUUKNENVGPRK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167418 434654449 /nfs/dbraw/zinc/65/44/49/434654449.db2.gz QIMUUKNENVGPRK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000354167418 434654456 /nfs/dbraw/zinc/65/44/56/434654456.db2.gz QIMUUKNENVGPRK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000354181382 434659533 /nfs/dbraw/zinc/65/95/33/434659533.db2.gz LYPLNNZLBWJOBT-JFIYKMOQSA-N 2 1 303.494 3.279 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371301090 434664047 /nfs/dbraw/zinc/66/40/47/434664047.db2.gz DEJSGRLYPUIQSO-DFQSSKMNSA-N 2 1 315.505 3.096 20 0 DGADMP CCCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459723753 434675008 /nfs/dbraw/zinc/67/50/08/434675008.db2.gz CTZJJVWDOXMIMY-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459721099 434675478 /nfs/dbraw/zinc/67/54/78/434675478.db2.gz APMNFOINDAKHTA-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccccc1 ZINC000349340975 434678766 /nfs/dbraw/zinc/67/87/66/434678766.db2.gz AHOCHWYQDYUTIJ-UHFFFAOYSA-N 2 1 312.461 3.385 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccccc1 ZINC000349340975 434678776 /nfs/dbraw/zinc/67/87/76/434678776.db2.gz AHOCHWYQDYUTIJ-UHFFFAOYSA-N 2 1 312.461 3.385 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225016 434679211 /nfs/dbraw/zinc/67/92/11/434679211.db2.gz PSJXEQISEBZULB-CZUORRHYSA-N 2 1 323.868 3.083 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293950 434679540 /nfs/dbraw/zinc/67/95/40/434679540.db2.gz DDVYTGOOWVHJMC-XCDZQEORSA-N 2 1 306.494 3.044 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293950 434679547 /nfs/dbraw/zinc/67/95/47/434679547.db2.gz DDVYTGOOWVHJMC-XCDZQEORSA-N 2 1 306.494 3.044 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293953 434681320 /nfs/dbraw/zinc/68/13/20/434681320.db2.gz DDVYTGOOWVHJMC-ZWJWXYIHSA-N 2 1 306.494 3.044 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]2C1 ZINC000424293953 434681324 /nfs/dbraw/zinc/68/13/24/434681324.db2.gz DDVYTGOOWVHJMC-ZWJWXYIHSA-N 2 1 306.494 3.044 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000459730243 434681702 /nfs/dbraw/zinc/68/17/02/434681702.db2.gz KBFXYHKZPTXQAW-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000349345229 434682849 /nfs/dbraw/zinc/68/28/49/434682849.db2.gz IZOWQXPJKMSCLQ-OAHLLOKOSA-N 2 1 320.462 3.022 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000349345229 434682855 /nfs/dbraw/zinc/68/28/55/434682855.db2.gz IZOWQXPJKMSCLQ-OAHLLOKOSA-N 2 1 320.462 3.022 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000349360898 434688589 /nfs/dbraw/zinc/68/85/89/434688589.db2.gz BAOHVRNNUKVQJD-UHFFFAOYSA-N 2 1 320.506 3.312 20 0 DGADMP CO[C@H](CC(C)C)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000419222344 434755539 /nfs/dbraw/zinc/75/55/39/434755539.db2.gz BRBWGFNCTTYCBS-LJQANCHMSA-N 2 1 319.493 3.291 20 0 DGADMP C[N@@H+](CCn1cccn1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411260195 434752452 /nfs/dbraw/zinc/75/24/52/434752452.db2.gz OMXWGQRPJICRDE-UHFFFAOYSA-N 2 1 312.461 3.001 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000424331283 434700526 /nfs/dbraw/zinc/70/05/26/434700526.db2.gz JLMIUSJJYHLSLJ-RTBURBONSA-N 2 1 311.429 3.020 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000424337847 434702493 /nfs/dbraw/zinc/70/24/93/434702493.db2.gz SJDNIZCAPUCXKY-RTBURBONSA-N 2 1 311.429 3.020 20 0 DGADMP CC1(C)CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000360836348 434706244 /nfs/dbraw/zinc/70/62/44/434706244.db2.gz MIXASQUYTDGXCP-IBGZPJMESA-N 2 1 316.489 3.236 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc3c(c1)CC(C)(C)O3)CC[NH2+]CC2 ZINC000424376279 434714190 /nfs/dbraw/zinc/71/41/90/434714190.db2.gz KVLIYOAILBZKAO-HNNXBMFYSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)s1 ZINC000424379939 434716104 /nfs/dbraw/zinc/71/61/04/434716104.db2.gz WETVANJPCWHGJK-OPRDCNLKSA-N 2 1 303.269 3.431 20 0 DGADMP CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424380529 434716120 /nfs/dbraw/zinc/71/61/20/434716120.db2.gz PVESSDITCLDGFS-OAHLLOKOSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379995 434716943 /nfs/dbraw/zinc/71/69/43/434716943.db2.gz WNEYIIDSXDOCER-NILFDRSVSA-N 2 1 316.474 3.434 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782661 434719360 /nfs/dbraw/zinc/71/93/60/434719360.db2.gz MTPVPVSFOYWWHP-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933405 434737047 /nfs/dbraw/zinc/73/70/47/434737047.db2.gz OIGJCNYTSQAOKT-CRAIPNDOSA-N 2 1 311.429 3.304 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933405 434737051 /nfs/dbraw/zinc/73/70/51/434737051.db2.gz OIGJCNYTSQAOKT-CRAIPNDOSA-N 2 1 311.429 3.304 20 0 DGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441361766 434765859 /nfs/dbraw/zinc/76/58/59/434765859.db2.gz UHZRNIKEIKFPGW-MSOLQXFVSA-N 2 1 309.542 3.207 20 0 DGADMP COC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411283367 434756047 /nfs/dbraw/zinc/75/60/47/434756047.db2.gz KULPLLJUINYACR-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000360988292 434756903 /nfs/dbraw/zinc/75/69/03/434756903.db2.gz YBCSRHYGIQZDBK-MRXNPFEDSA-N 2 1 306.498 3.374 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000441270069 434762197 /nfs/dbraw/zinc/76/21/97/434762197.db2.gz NOKPNLRKHGCMNM-UJWQCDCRSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@@H]1OCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000411329215 434762785 /nfs/dbraw/zinc/76/27/85/434762785.db2.gz QUGOYQVIKMGWHV-IRXDYDNUSA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441361771 434764695 /nfs/dbraw/zinc/76/46/95/434764695.db2.gz UHZRNIKEIKFPGW-QZTJIDSGSA-N 2 1 309.542 3.207 20 0 DGADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)[C@@H](C)C1 ZINC000442892388 434773468 /nfs/dbraw/zinc/77/34/68/434773468.db2.gz UWGMUDLVGUDIRK-OALUTQOASA-N 2 1 321.553 3.353 20 0 DGADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411405442 434775321 /nfs/dbraw/zinc/77/53/21/434775321.db2.gz ZJQMIKXPHDREFH-XLIONFOSSA-N 2 1 316.489 3.408 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453066508 434788885 /nfs/dbraw/zinc/78/88/85/434788885.db2.gz XBGFDRMPUYJOAC-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000361108163 434798941 /nfs/dbraw/zinc/79/89/41/434798941.db2.gz JPCVUDYQPKKNNW-FUHWJXTLSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000361108163 434798946 /nfs/dbraw/zinc/79/89/46/434798946.db2.gz JPCVUDYQPKKNNW-FUHWJXTLSA-N 2 1 304.478 3.474 20 0 DGADMP CCc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc1 ZINC000411579232 434803996 /nfs/dbraw/zinc/80/39/96/434803996.db2.gz DEZQAWBWWLNUOY-ICSRJNTNSA-N 2 1 324.472 3.164 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]1 ZINC000414705884 297396125 /nfs/dbraw/zinc/39/61/25/297396125.db2.gz XPWFFMJNUVJZCC-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccsc1 ZINC000453070072 434790249 /nfs/dbraw/zinc/79/02/49/434790249.db2.gz ZVABKFNVMIQLCS-KRWDZBQOSA-N 2 1 309.523 3.207 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccncn1 ZINC000453090956 434796506 /nfs/dbraw/zinc/79/65/06/434796506.db2.gz PRGWRURKKZKNQS-MRXNPFEDSA-N 2 1 310.445 3.313 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000453088469 434796710 /nfs/dbraw/zinc/79/67/10/434796710.db2.gz QQJLOCAGXFNYJJ-JTDSTZFVSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cncs1 ZINC000411546526 434798433 /nfs/dbraw/zinc/79/84/33/434798433.db2.gz ASZDIZDAGNBLDA-CRAIPNDOSA-N 2 1 315.486 3.186 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000453119863 434807743 /nfs/dbraw/zinc/80/77/43/434807743.db2.gz LDEORIHRAZKCPW-SJORKVTESA-N 2 1 324.472 3.223 20 0 DGADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000411613163 434809021 /nfs/dbraw/zinc/80/90/21/434809021.db2.gz JJRZEVCHGXNILR-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361183612 434823878 /nfs/dbraw/zinc/82/38/78/434823878.db2.gz ZDVQTCZUPVYHAS-IBGZPJMESA-N 2 1 314.473 3.217 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCc3ccccc3CC2)CCCO1 ZINC000453201277 434828155 /nfs/dbraw/zinc/82/81/55/434828155.db2.gz BOJIJTBCPQQBIJ-QGZVFWFLSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCc3ccccc3CC2)CCCO1 ZINC000453201277 434828157 /nfs/dbraw/zinc/82/81/57/434828157.db2.gz BOJIJTBCPQQBIJ-QGZVFWFLSA-N 2 1 316.489 3.025 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411986373 434850399 /nfs/dbraw/zinc/85/03/99/434850399.db2.gz RBDWRWNBVSSKLM-HKUYNNGSSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411986373 434850401 /nfs/dbraw/zinc/85/04/01/434850401.db2.gz RBDWRWNBVSSKLM-HKUYNNGSSA-N 2 1 302.462 3.404 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411986373 434850403 /nfs/dbraw/zinc/85/04/03/434850403.db2.gz RBDWRWNBVSSKLM-HKUYNNGSSA-N 2 1 302.462 3.404 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000573112530 434875897 /nfs/dbraw/zinc/87/58/97/434875897.db2.gz CSBPDVWFWZDCEL-ZWKOTPCHSA-N 2 1 306.498 3.008 20 0 DGADMP OC1(C(F)(F)F)CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000573197405 434880731 /nfs/dbraw/zinc/88/07/31/434880731.db2.gz LVTVTRCLOFGHBY-UHFFFAOYSA-N 2 1 322.415 3.124 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000521436289 434884190 /nfs/dbraw/zinc/88/41/90/434884190.db2.gz RLGZLBPUHHYXRK-QZTJIDSGSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000521436289 434884194 /nfs/dbraw/zinc/88/41/94/434884194.db2.gz RLGZLBPUHHYXRK-QZTJIDSGSA-N 2 1 302.462 3.153 20 0 DGADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462123344 434900986 /nfs/dbraw/zinc/90/09/86/434900986.db2.gz PUBOEOHFMSKVFD-IEBWSBKVSA-N 2 1 318.505 3.080 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000462114525 434901583 /nfs/dbraw/zinc/90/15/83/434901583.db2.gz WVKWECQHWUEQOM-HIFRSBDPSA-N 2 1 322.415 3.056 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000573101964 434873472 /nfs/dbraw/zinc/87/34/72/434873472.db2.gz QFRVDENKNSITNW-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP CCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998365 434942895 /nfs/dbraw/zinc/94/28/95/434942895.db2.gz RKMAWRIVEMXVSG-ZBFHGGJFSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@H](O)C[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998365 434942899 /nfs/dbraw/zinc/94/28/99/434942899.db2.gz RKMAWRIVEMXVSG-ZBFHGGJFSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998365 434942903 /nfs/dbraw/zinc/94/29/03/434942903.db2.gz RKMAWRIVEMXVSG-ZBFHGGJFSA-N 2 1 304.434 3.128 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890907 434952800 /nfs/dbraw/zinc/95/28/00/434952800.db2.gz ZSOHXFKZGFVHDJ-UYAOXDASSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890907 434952804 /nfs/dbraw/zinc/95/28/04/434952804.db2.gz ZSOHXFKZGFVHDJ-UYAOXDASSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890907 434952809 /nfs/dbraw/zinc/95/28/09/434952809.db2.gz ZSOHXFKZGFVHDJ-UYAOXDASSA-N 2 1 314.473 3.392 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000574256165 434964152 /nfs/dbraw/zinc/96/41/52/434964152.db2.gz LIAXIFUWNAHDIJ-MDZRGWNJSA-N 2 1 320.452 3.225 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000574256160 434964285 /nfs/dbraw/zinc/96/42/85/434964285.db2.gz LIAXIFUWNAHDIJ-FCEWJHQRSA-N 2 1 320.452 3.225 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000555511920 434974871 /nfs/dbraw/zinc/97/48/71/434974871.db2.gz YTBCERXXPVPCCG-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000462841405 434933750 /nfs/dbraw/zinc/93/37/50/434933750.db2.gz PCWVARAZLFPNRK-OXQOHEQNSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638356067 435012961 /nfs/dbraw/zinc/01/29/61/435012961.db2.gz VKAGMEOZLBTKNN-POAQFYNOSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638356067 435012964 /nfs/dbraw/zinc/01/29/64/435012964.db2.gz VKAGMEOZLBTKNN-POAQFYNOSA-N 2 1 324.472 3.229 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638380181 435019138 /nfs/dbraw/zinc/01/91/38/435019138.db2.gz VZWFMEPSGCMHBV-IBGZPJMESA-N 2 1 302.462 3.118 20 0 DGADMP c1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000556776987 435023266 /nfs/dbraw/zinc/02/32/66/435023266.db2.gz MDBGOWWVRGZKAQ-UHFFFAOYSA-N 2 1 310.445 3.142 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)cc1F ZINC000638420255 435026931 /nfs/dbraw/zinc/02/69/31/435026931.db2.gz MJTWECZUXMAWHJ-RISCZKNCSA-N 2 1 305.422 3.303 20 0 DGADMP CCC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)OC ZINC000638418575 435027985 /nfs/dbraw/zinc/02/79/85/435027985.db2.gz BUYATDVHWCHOBN-HNNXBMFYSA-N 2 1 305.397 3.225 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638447356 435032636 /nfs/dbraw/zinc/03/26/36/435032636.db2.gz CUYSTCUGNVVCNF-IEBWSBKVSA-N 2 1 316.489 3.495 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638447356 435032639 /nfs/dbraw/zinc/03/26/39/435032639.db2.gz CUYSTCUGNVVCNF-IEBWSBKVSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000574630382 434991208 /nfs/dbraw/zinc/99/12/08/434991208.db2.gz YHFDQVQLJISTNZ-HUUCEWRRSA-N 2 1 323.440 3.197 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000574630380 434991808 /nfs/dbraw/zinc/99/18/08/434991808.db2.gz YHFDQVQLJISTNZ-CABCVRRESA-N 2 1 323.440 3.197 20 0 DGADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000556051352 434992682 /nfs/dbraw/zinc/99/26/82/434992682.db2.gz WYXAPADFGVYRJZ-ZCNNSNEGSA-N 2 1 317.521 3.388 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000524971556 434999298 /nfs/dbraw/zinc/99/92/98/434999298.db2.gz QCOTUFLGHMSPEJ-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000556260320 435002222 /nfs/dbraw/zinc/00/22/22/435002222.db2.gz KGXXBFCXAULDID-KOMQPUFPSA-N 2 1 322.880 3.286 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[N@H+]3CCCC[C@H]3C2)c2ccccn21 ZINC000556270803 435004143 /nfs/dbraw/zinc/00/41/43/435004143.db2.gz SFULEPRGUDVVMM-INIZCTEOSA-N 2 1 312.461 3.128 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]CC1CCSCC1)C2 ZINC000638336307 435007527 /nfs/dbraw/zinc/00/75/27/435007527.db2.gz RYSJTPZBLCCCLZ-UHFFFAOYSA-N 2 1 304.503 3.168 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]CC1CCSCC1)C2 ZINC000638336307 435007530 /nfs/dbraw/zinc/00/75/30/435007530.db2.gz RYSJTPZBLCCCLZ-UHFFFAOYSA-N 2 1 304.503 3.168 20 0 DGADMP c1cnn(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638346661 435010920 /nfs/dbraw/zinc/01/09/20/435010920.db2.gz YXAUZNKNBKUVOO-ICSRJNTNSA-N 2 1 324.472 3.231 20 0 DGADMP c1cnn(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638346661 435010922 /nfs/dbraw/zinc/01/09/22/435010922.db2.gz YXAUZNKNBKUVOO-ICSRJNTNSA-N 2 1 324.472 3.231 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638451766 435033411 /nfs/dbraw/zinc/03/34/11/435033411.db2.gz QICQILLLYTUDSF-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638451766 435033414 /nfs/dbraw/zinc/03/34/14/435033414.db2.gz QICQILLLYTUDSF-ZDUSSCGKSA-N 2 1 319.399 3.335 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000638359727 435012912 /nfs/dbraw/zinc/01/29/12/435012912.db2.gz MLFILTFUICPWHB-OAHAVBBTSA-N 2 1 321.553 3.209 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638668804 435067107 /nfs/dbraw/zinc/06/71/07/435067107.db2.gz PMDPRIXHPPREAN-HOJAQTOUSA-N 2 1 316.489 3.495 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638668804 435067110 /nfs/dbraw/zinc/06/71/10/435067110.db2.gz PMDPRIXHPPREAN-HOJAQTOUSA-N 2 1 316.489 3.495 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)[C@@H]1c1cccs1 ZINC000638669767 435067246 /nfs/dbraw/zinc/06/72/46/435067246.db2.gz BHTGSMQXYKVFNN-BFYDXBDKSA-N 2 1 308.491 3.290 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)[C@@H]1c1cccs1 ZINC000638669767 435067248 /nfs/dbraw/zinc/06/72/48/435067248.db2.gz BHTGSMQXYKVFNN-BFYDXBDKSA-N 2 1 308.491 3.290 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000638669808 435067353 /nfs/dbraw/zinc/06/73/53/435067353.db2.gz CEHNPXWZJYNZEB-INMHGKMJSA-N 2 1 308.491 3.146 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000638669808 435067357 /nfs/dbraw/zinc/06/73/57/435067357.db2.gz CEHNPXWZJYNZEB-INMHGKMJSA-N 2 1 308.491 3.146 20 0 DGADMP COC(C)(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638702844 435075307 /nfs/dbraw/zinc/07/53/07/435075307.db2.gz SXLOSPQNCHFBGT-FUHWJXTLSA-N 2 1 302.462 3.369 20 0 DGADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638702844 435075309 /nfs/dbraw/zinc/07/53/09/435075309.db2.gz SXLOSPQNCHFBGT-FUHWJXTLSA-N 2 1 302.462 3.369 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000578334438 435078023 /nfs/dbraw/zinc/07/80/23/435078023.db2.gz OGIJFVOVSPYMJE-MAUKXSAKSA-N 2 1 318.461 3.341 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638723153 435078446 /nfs/dbraw/zinc/07/84/46/435078446.db2.gz YTAXJYIHKJWZPQ-OTBHMBEGSA-N 2 1 316.489 3.444 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638723153 435078447 /nfs/dbraw/zinc/07/84/47/435078447.db2.gz YTAXJYIHKJWZPQ-OTBHMBEGSA-N 2 1 316.489 3.444 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000638723154 435078597 /nfs/dbraw/zinc/07/85/97/435078597.db2.gz YTAXJYIHKJWZPQ-OXHPOLQJSA-N 2 1 316.489 3.444 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000638723154 435078601 /nfs/dbraw/zinc/07/86/01/435078601.db2.gz YTAXJYIHKJWZPQ-OXHPOLQJSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)[C@H](C)Cc1ccsc1 ZINC000558417397 435088165 /nfs/dbraw/zinc/08/81/65/435088165.db2.gz BBCUCYNWGYTUCK-SJLPKXTDSA-N 2 1 323.550 3.027 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)[C@@H](C)Cc1ccsc1 ZINC000558417396 435089400 /nfs/dbraw/zinc/08/94/00/435089400.db2.gz BBCUCYNWGYTUCK-FUHWJXTLSA-N 2 1 323.550 3.027 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]CCC[C@H]2CCO2)C[N@H+]1Cc1ccccc1 ZINC000638795340 435089490 /nfs/dbraw/zinc/08/94/90/435089490.db2.gz BRTPPJWRFIIAGL-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP c1cnn(C2CC([NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000638449624 435034266 /nfs/dbraw/zinc/03/42/66/435034266.db2.gz TXFUIDCIEWNXAO-XEVCZEQESA-N 2 1 324.472 3.088 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638451988 435035600 /nfs/dbraw/zinc/03/56/00/435035600.db2.gz SQVKHJBOXPYVPP-UYAOXDASSA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638451988 435035603 /nfs/dbraw/zinc/03/56/03/435035603.db2.gz SQVKHJBOXPYVPP-UYAOXDASSA-N 3 1 315.505 3.286 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000638478459 435039901 /nfs/dbraw/zinc/03/99/01/435039901.db2.gz ATAXEJIAVKMQJW-LESCRADOSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000638478459 435039904 /nfs/dbraw/zinc/03/99/04/435039904.db2.gz ATAXEJIAVKMQJW-LESCRADOSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638821201 435096352 /nfs/dbraw/zinc/09/63/52/435096352.db2.gz PRJKHQYTZNHYHI-QRFRQXIXSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638821201 435096356 /nfs/dbraw/zinc/09/63/56/435096356.db2.gz PRJKHQYTZNHYHI-QRFRQXIXSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638821202 435096529 /nfs/dbraw/zinc/09/65/29/435096529.db2.gz PRJKHQYTZNHYHI-XKGZKEIXSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638821202 435096533 /nfs/dbraw/zinc/09/65/33/435096533.db2.gz PRJKHQYTZNHYHI-XKGZKEIXSA-N 2 1 316.489 3.353 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000638849012 435102502 /nfs/dbraw/zinc/10/25/02/435102502.db2.gz OVXGOUZYKQZXNZ-UHFFFAOYSA-N 2 1 302.249 3.151 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708643 435113040 /nfs/dbraw/zinc/11/30/40/435113040.db2.gz ASHVCZUJGYLAAZ-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708643 435113044 /nfs/dbraw/zinc/11/30/44/435113044.db2.gz ASHVCZUJGYLAAZ-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914438 435117508 /nfs/dbraw/zinc/11/75/08/435117508.db2.gz AIZXNEWWKPUXKB-FVPXHTFXSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000467361123 435118957 /nfs/dbraw/zinc/11/89/57/435118957.db2.gz ZCMOHDYGHJPELF-AKHDSKFASA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000578978863 435123654 /nfs/dbraw/zinc/12/36/54/435123654.db2.gz MCGXCSYZGCRECP-CYBMUJFWSA-N 2 1 320.868 3.484 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000559795056 435138326 /nfs/dbraw/zinc/13/83/26/435138326.db2.gz HUXIGWQPZYRELL-HSALFYBXSA-N 2 1 319.537 3.366 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559846521 435140494 /nfs/dbraw/zinc/14/04/94/435140494.db2.gz ZFZZHTSMZJFIDI-ZWKOTPCHSA-N 2 1 304.478 3.353 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559846521 435140497 /nfs/dbraw/zinc/14/04/97/435140497.db2.gz ZFZZHTSMZJFIDI-ZWKOTPCHSA-N 2 1 304.478 3.353 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639064858 435143020 /nfs/dbraw/zinc/14/30/20/435143020.db2.gz DKJOADHIXMBBFT-WMZOPIPTSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)(O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639064858 435143022 /nfs/dbraw/zinc/14/30/22/435143022.db2.gz DKJOADHIXMBBFT-WMZOPIPTSA-N 2 1 302.462 3.105 20 0 DGADMP CCOC1CC(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000639178458 435187399 /nfs/dbraw/zinc/18/73/99/435187399.db2.gz JGLOIHQVDVRTQO-UHFFFAOYSA-N 2 1 316.489 3.398 20 0 DGADMP CCOC1CC(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000639178458 435187402 /nfs/dbraw/zinc/18/74/02/435187402.db2.gz JGLOIHQVDVRTQO-UHFFFAOYSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@](C)(C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639179177 435187665 /nfs/dbraw/zinc/18/76/65/435187665.db2.gz QTAWQDVGKQCQMF-LJQANCHMSA-N 2 1 304.478 3.398 20 0 DGADMP CC[C@](C)(C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639179177 435187670 /nfs/dbraw/zinc/18/76/70/435187670.db2.gz QTAWQDVGKQCQMF-LJQANCHMSA-N 2 1 304.478 3.398 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639187281 435191617 /nfs/dbraw/zinc/19/16/17/435191617.db2.gz KMDUOAQWTLUZSC-ZIFCJYIRSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639187281 435191618 /nfs/dbraw/zinc/19/16/18/435191618.db2.gz KMDUOAQWTLUZSC-ZIFCJYIRSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639194720 435193340 /nfs/dbraw/zinc/19/33/40/435193340.db2.gz JUPDJOCYGCZUQS-WOJBJXKFSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222537 435202152 /nfs/dbraw/zinc/20/21/52/435202152.db2.gz LUXOYBGUAFMIMJ-YVWKXTFCSA-N 2 1 316.489 3.495 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222537 435202157 /nfs/dbraw/zinc/20/21/57/435202157.db2.gz LUXOYBGUAFMIMJ-YVWKXTFCSA-N 2 1 316.489 3.495 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019913 435204696 /nfs/dbraw/zinc/20/46/96/435204696.db2.gz FMJCZNKXMNITQD-HWWITLHISA-N 2 1 318.505 3.046 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000579411200 435152579 /nfs/dbraw/zinc/15/25/79/435152579.db2.gz JGKFYLCQVCEQHU-SJLPKXTDSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000579411200 435152582 /nfs/dbraw/zinc/15/25/82/435152582.db2.gz JGKFYLCQVCEQHU-SJLPKXTDSA-N 2 1 304.478 3.127 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000474715124 435157139 /nfs/dbraw/zinc/15/71/39/435157139.db2.gz PZKWVIHYRXOUDF-XMTFNYHQSA-N 2 1 324.509 3.208 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000474715124 435157144 /nfs/dbraw/zinc/15/71/44/435157144.db2.gz PZKWVIHYRXOUDF-XMTFNYHQSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000474708912 435157410 /nfs/dbraw/zinc/15/74/10/435157410.db2.gz LZWFGGCMNUESEN-OAHLLOKOSA-N 2 1 312.498 3.066 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560265023 435159211 /nfs/dbraw/zinc/15/92/11/435159211.db2.gz MJSVOQZBFSKXJC-BEFAXECRSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639111591 435159280 /nfs/dbraw/zinc/15/92/80/435159280.db2.gz BGMTZYWBYMQMTF-VDZJLULYSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639111591 435159282 /nfs/dbraw/zinc/15/92/82/435159282.db2.gz BGMTZYWBYMQMTF-VDZJLULYSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000639118768 435163066 /nfs/dbraw/zinc/16/30/66/435163066.db2.gz REWLZLKWYYRNIM-UHOSZYNNSA-N 2 1 304.478 3.159 20 0 DGADMP OC1(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639148086 435174989 /nfs/dbraw/zinc/17/49/89/435174989.db2.gz BLHBELAYQVOQEO-IEBWSBKVSA-N 2 1 314.473 3.249 20 0 DGADMP OC1(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639148086 435174992 /nfs/dbraw/zinc/17/49/92/435174992.db2.gz BLHBELAYQVOQEO-IEBWSBKVSA-N 2 1 314.473 3.249 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCC[C@H]4CCO4)C3)C2)cc1 ZINC000639162478 435178763 /nfs/dbraw/zinc/17/87/63/435178763.db2.gz SGFNHXRSINLGEU-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCC[C@H]4CCO4)C3)C2)cc1 ZINC000639162478 435178768 /nfs/dbraw/zinc/17/87/68/435178768.db2.gz SGFNHXRSINLGEU-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCC[C@H]4CCO4)C3)C2)cc1 ZINC000639162478 435178773 /nfs/dbraw/zinc/17/87/73/435178773.db2.gz SGFNHXRSINLGEU-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(F)c1N ZINC000639171491 435181387 /nfs/dbraw/zinc/18/13/87/435181387.db2.gz VJHXGWCJESWOAV-UHFFFAOYSA-N 2 1 315.436 3.492 20 0 DGADMP CC(C)O[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000639259969 435214193 /nfs/dbraw/zinc/21/41/93/435214193.db2.gz YLRLJDADDDFWQN-MJGOQNOKSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H](C[NH+]1C[C@H](C)S[C@@H](C)C1)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533290794 435223230 /nfs/dbraw/zinc/22/32/30/435223230.db2.gz MAHZPWZVRHRGMZ-QMHWVQJVSA-N 2 1 316.580 3.274 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)ccn1 ZINC000580338205 435226252 /nfs/dbraw/zinc/22/62/52/435226252.db2.gz NYOHBEOCFNRABA-HNNXBMFYSA-N 2 1 305.466 3.395 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)ccn1 ZINC000580338205 435226258 /nfs/dbraw/zinc/22/62/58/435226258.db2.gz NYOHBEOCFNRABA-HNNXBMFYSA-N 2 1 305.466 3.395 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639240329 435210400 /nfs/dbraw/zinc/21/04/00/435210400.db2.gz OSEUWIOTGFCJKD-KVPLUYHFSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639240329 435210404 /nfs/dbraw/zinc/21/04/04/435210404.db2.gz OSEUWIOTGFCJKD-KVPLUYHFSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639240351 435211337 /nfs/dbraw/zinc/21/13/37/435211337.db2.gz PMWOKRKUNAYRMI-MISYRCLQSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCC1 ZINC000639240351 435211341 /nfs/dbraw/zinc/21/13/41/435211341.db2.gz PMWOKRKUNAYRMI-MISYRCLQSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639240332 435211701 /nfs/dbraw/zinc/21/17/01/435211701.db2.gz OSEUWIOTGFCJKD-RAUXBKROSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639240332 435211705 /nfs/dbraw/zinc/21/17/05/435211705.db2.gz OSEUWIOTGFCJKD-RAUXBKROSA-N 2 1 314.473 3.105 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)C1CCCCC1 ZINC000639292019 435229930 /nfs/dbraw/zinc/22/99/30/435229930.db2.gz YEAVHXYKHVGBPW-DLBZAZTESA-N 2 1 323.525 3.068 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C2CC2)cc1 ZINC000639295174 435234163 /nfs/dbraw/zinc/23/41/63/435234163.db2.gz LQQXGDLSHWOBEX-FKICDVMDSA-N 2 1 312.457 3.264 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C2CC2)cc1 ZINC000639295174 435234169 /nfs/dbraw/zinc/23/41/69/435234169.db2.gz LQQXGDLSHWOBEX-FKICDVMDSA-N 2 1 312.457 3.264 20 0 DGADMP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000639338273 435252234 /nfs/dbraw/zinc/25/22/34/435252234.db2.gz SJDFNKYUWYAQHN-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000639338273 435252240 /nfs/dbraw/zinc/25/22/40/435252240.db2.gz SJDFNKYUWYAQHN-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000639337129 435253103 /nfs/dbraw/zinc/25/31/03/435253103.db2.gz JZTASLBHMBCNSH-QGZVFWFLSA-N 2 1 324.472 3.150 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000639337129 435253109 /nfs/dbraw/zinc/25/31/09/435253109.db2.gz JZTASLBHMBCNSH-QGZVFWFLSA-N 2 1 324.472 3.150 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)cc1OCC ZINC000639396093 435284313 /nfs/dbraw/zinc/28/43/13/435284313.db2.gz HGWQJHIJMDXFOG-KRWDZBQOSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)cc1OCC ZINC000639396093 435284317 /nfs/dbraw/zinc/28/43/17/435284317.db2.gz HGWQJHIJMDXFOG-KRWDZBQOSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000584217486 435284958 /nfs/dbraw/zinc/28/49/58/435284958.db2.gz PLWIOXLCTDQBIP-INIZCTEOSA-N 2 1 301.478 3.172 20 0 DGADMP CC(C)O[C@@H](C[N@H+](C)[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396865 435286292 /nfs/dbraw/zinc/28/62/92/435286292.db2.gz KRTGYWCCMCEEKX-MOPGFXCFSA-N 2 1 302.462 3.179 20 0 DGADMP CC(C)O[C@@H](C[N@@H+](C)[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396865 435286296 /nfs/dbraw/zinc/28/62/96/435286296.db2.gz KRTGYWCCMCEEKX-MOPGFXCFSA-N 2 1 302.462 3.179 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648413316 435290669 /nfs/dbraw/zinc/29/06/69/435290669.db2.gz YCWHADUBDRHPDG-NSHDSACASA-N 2 1 318.808 3.412 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000648427450 435296985 /nfs/dbraw/zinc/29/69/85/435296985.db2.gz IASFZICWRKFOOI-UONOGXRCSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000648427450 435296988 /nfs/dbraw/zinc/29/69/88/435296988.db2.gz IASFZICWRKFOOI-UONOGXRCSA-N 2 1 305.809 3.198 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc2cc(Cl)cnc2o1)C[NH+]1CCCC1 ZINC000648429330 435297310 /nfs/dbraw/zinc/29/73/10/435297310.db2.gz ZZBJBPNHZQKVDW-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648438490 435298329 /nfs/dbraw/zinc/29/83/29/435298329.db2.gz RDDUPMLGADDOCT-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648438490 435298334 /nfs/dbraw/zinc/29/83/34/435298334.db2.gz RDDUPMLGADDOCT-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643032853 435262148 /nfs/dbraw/zinc/26/21/48/435262148.db2.gz IKODYAWJADMQOE-IAQYHMDHSA-N 2 1 321.346 3.442 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000535314673 435326596 /nfs/dbraw/zinc/32/65/96/435326596.db2.gz QTWLBDFIUPJKHU-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@H]1CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000535314673 435326601 /nfs/dbraw/zinc/32/66/01/435326601.db2.gz QTWLBDFIUPJKHU-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000643456338 435327508 /nfs/dbraw/zinc/32/75/08/435327508.db2.gz QKQMGOWUZOZCBZ-GJZGRUSLSA-N 2 1 316.367 3.125 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480197 435333998 /nfs/dbraw/zinc/33/39/98/435333998.db2.gz FAOUOQQPRHMFSJ-FLFBIERCSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000643480197 435334003 /nfs/dbraw/zinc/33/40/03/435334003.db2.gz FAOUOQQPRHMFSJ-FLFBIERCSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480197 435334007 /nfs/dbraw/zinc/33/40/07/435334007.db2.gz FAOUOQQPRHMFSJ-FLFBIERCSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507857 435338876 /nfs/dbraw/zinc/33/88/76/435338876.db2.gz SUIYESOBPBZIPR-GFCCVEGCSA-N 2 1 300.368 3.368 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(N)ccc2O1 ZINC000643532783 435343859 /nfs/dbraw/zinc/34/38/59/435343859.db2.gz HVPUYAIRRLVDOA-UXLLHSPISA-N 2 1 315.461 3.087 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(N)ccc2O1 ZINC000643532783 435343864 /nfs/dbraw/zinc/34/38/64/435343864.db2.gz HVPUYAIRRLVDOA-UXLLHSPISA-N 2 1 315.461 3.087 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000643528780 435343977 /nfs/dbraw/zinc/34/39/77/435343977.db2.gz OQWAVQXJTYPRLU-GXFFZTMASA-N 2 1 305.422 3.263 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCC3)cc1 ZINC000643526857 435344030 /nfs/dbraw/zinc/34/40/30/435344030.db2.gz ATVNWFNPOUXOGN-OCCSQVGLSA-N 2 1 301.459 3.433 20 0 DGADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])s2)cc1 ZINC000643528900 435344178 /nfs/dbraw/zinc/34/41/78/435344178.db2.gz QRXIVLLZSHXCMU-WDEREUQCSA-N 2 1 305.447 3.125 20 0 DGADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000639559156 435344206 /nfs/dbraw/zinc/34/42/06/435344206.db2.gz PDPDRTZAHSBDBV-WMZOPIPTSA-N 2 1 317.477 3.045 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000535764289 435347042 /nfs/dbraw/zinc/34/70/42/435347042.db2.gz UQYOCUHAKVQWEH-UHFFFAOYSA-N 2 1 313.445 3.267 20 0 DGADMP c1ccc(SC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479670889 435347069 /nfs/dbraw/zinc/34/70/69/435347069.db2.gz DGUOZAIYARTCDV-KRWDZBQOSA-N 2 1 304.503 3.490 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000643546655 435348962 /nfs/dbraw/zinc/34/89/62/435348962.db2.gz SNJMSEYSPWHNRU-UONOGXRCSA-N 2 1 304.434 3.029 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000535806072 435352808 /nfs/dbraw/zinc/35/28/08/435352808.db2.gz CLAAQWRLYVESHC-PKOBYXMFSA-N 2 1 302.462 3.392 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000535052888 435312991 /nfs/dbraw/zinc/31/29/91/435312991.db2.gz SDPNSWCKHCXROH-ZWKOTPCHSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000535052888 435313004 /nfs/dbraw/zinc/31/30/04/435313004.db2.gz SDPNSWCKHCXROH-ZWKOTPCHSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000535052888 435313006 /nfs/dbraw/zinc/31/30/06/435313006.db2.gz SDPNSWCKHCXROH-ZWKOTPCHSA-N 2 1 302.462 3.186 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)cnn2C)CC1)CC(C)C ZINC000567399522 435312977 /nfs/dbraw/zinc/31/29/77/435312977.db2.gz HJBYWYCPCCLKPD-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000648481928 435314614 /nfs/dbraw/zinc/31/46/14/435314614.db2.gz UTUQKLXXQISPCP-KDURUIRLSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(-c2ccccc2)c1 ZINC000481029164 435405898 /nfs/dbraw/zinc/40/58/98/435405898.db2.gz ZJMDTCWYQPIBOT-UWJYYQICSA-N 2 1 324.468 3.461 20 0 DGADMP C[C@H](CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)OCc1ccccc1 ZINC000639756275 435410295 /nfs/dbraw/zinc/41/02/95/435410295.db2.gz UOFMGRGTARSAOF-GOSISDBHSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000536826481 435414315 /nfs/dbraw/zinc/41/43/15/435414315.db2.gz LGTRBUWGKWLGAK-XEYPJELSSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000536909869 435419025 /nfs/dbraw/zinc/41/90/25/435419025.db2.gz LQMJHIJWRLTSET-GXTWGEPZSA-N 2 1 316.367 3.058 20 0 DGADMP Cc1nc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000568273459 435419358 /nfs/dbraw/zinc/41/93/58/435419358.db2.gz SAOBLRANDNZQFX-WMLDXEAASA-N 2 1 318.490 3.261 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792428 435420230 /nfs/dbraw/zinc/42/02/30/435420230.db2.gz KMFRSWXTDVSUGH-ZWKOTPCHSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792428 435420233 /nfs/dbraw/zinc/42/02/33/435420233.db2.gz KMFRSWXTDVSUGH-ZWKOTPCHSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792428 435420237 /nfs/dbraw/zinc/42/02/37/435420237.db2.gz KMFRSWXTDVSUGH-ZWKOTPCHSA-N 2 1 324.472 3.294 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000513331503 435384040 /nfs/dbraw/zinc/38/40/40/435384040.db2.gz TZCBQSXVEPHTBU-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513331503 435384046 /nfs/dbraw/zinc/38/40/46/435384046.db2.gz TZCBQSXVEPHTBU-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606418 435386438 /nfs/dbraw/zinc/38/64/38/435386438.db2.gz XTWGZESTAVVBRJ-OAGGEKHMSA-N 2 1 318.461 3.434 20 0 DGADMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606422 435386695 /nfs/dbraw/zinc/38/66/95/435386695.db2.gz XTWGZESTAVVBRJ-XHSDSOJGSA-N 2 1 318.461 3.434 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606422 435386699 /nfs/dbraw/zinc/38/66/99/435386699.db2.gz XTWGZESTAVVBRJ-XHSDSOJGSA-N 2 1 318.461 3.434 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480606422 435386702 /nfs/dbraw/zinc/38/67/02/435386702.db2.gz XTWGZESTAVVBRJ-XHSDSOJGSA-N 2 1 318.461 3.434 20 0 DGADMP c1ccc2ncc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000639683940 435390971 /nfs/dbraw/zinc/39/09/71/435390971.db2.gz OYYQZBLUPRVINU-UHFFFAOYSA-N 2 1 318.424 3.342 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C2CC2)c1 ZINC000513487439 435392966 /nfs/dbraw/zinc/39/29/66/435392966.db2.gz DTOZIKFHCAZGBQ-LJQANCHMSA-N 2 1 316.489 3.480 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480715509 435393938 /nfs/dbraw/zinc/39/39/38/435393938.db2.gz PCYPOKCWYVKGPR-DLBZAZTESA-N 2 1 304.478 3.480 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161900 435399215 /nfs/dbraw/zinc/39/92/15/435399215.db2.gz LNWKLUPJCJJLDN-QWHCGFSZSA-N 2 1 315.373 3.166 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161900 435399219 /nfs/dbraw/zinc/39/92/19/435399219.db2.gz LNWKLUPJCJJLDN-QWHCGFSZSA-N 2 1 315.373 3.166 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000568162637 435399244 /nfs/dbraw/zinc/39/92/44/435399244.db2.gz BNDMWMDGXPHYBV-QGZVFWFLSA-N 2 1 321.852 3.326 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568162637 435399249 /nfs/dbraw/zinc/39/92/49/435399249.db2.gz BNDMWMDGXPHYBV-QGZVFWFLSA-N 2 1 321.852 3.326 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000482151881 435455030 /nfs/dbraw/zinc/45/50/30/435455030.db2.gz OYZBIULHXQMFRL-QFBILLFUSA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000482151881 435455032 /nfs/dbraw/zinc/45/50/32/435455032.db2.gz OYZBIULHXQMFRL-QFBILLFUSA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000482151881 435455034 /nfs/dbraw/zinc/45/50/34/435455034.db2.gz OYZBIULHXQMFRL-QFBILLFUSA-N 2 1 316.489 3.359 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000482170090 435457548 /nfs/dbraw/zinc/45/75/48/435457548.db2.gz MIZSYHURCOGCCA-DLBZAZTESA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCC[C@H](C)C1 ZINC000482170090 435457551 /nfs/dbraw/zinc/45/75/51/435457551.db2.gz MIZSYHURCOGCCA-DLBZAZTESA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249630 435461789 /nfs/dbraw/zinc/46/17/89/435461789.db2.gz ZHLUPTGIIOVCPB-IRXDYDNUSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249630 435461794 /nfs/dbraw/zinc/46/17/94/435461794.db2.gz ZHLUPTGIIOVCPB-IRXDYDNUSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000537939952 435474799 /nfs/dbraw/zinc/47/47/99/435474799.db2.gz MJRFVFMTVBLBKS-ZIFCJYIRSA-N 2 1 324.472 3.428 20 0 DGADMP Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000639971873 435477964 /nfs/dbraw/zinc/47/79/64/435477964.db2.gz YRZDYBGHMOCBPX-UHFFFAOYSA-N 2 1 312.461 3.336 20 0 DGADMP Cc1n[nH]cc1C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000639971873 435477971 /nfs/dbraw/zinc/47/79/71/435477971.db2.gz YRZDYBGHMOCBPX-UHFFFAOYSA-N 2 1 312.461 3.336 20 0 DGADMP COc1ccc(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000639981775 435478988 /nfs/dbraw/zinc/47/89/88/435478988.db2.gz RIJIYLPXEAGNAF-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000639983954 435479722 /nfs/dbraw/zinc/47/97/22/435479722.db2.gz PGGAWGFNJHCCKV-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP CC(C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537305746 435437850 /nfs/dbraw/zinc/43/78/50/435437850.db2.gz JAACMEMBGYHGDK-CALCHBBNSA-N 2 1 304.478 3.194 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000569108196 435503904 /nfs/dbraw/zinc/50/39/04/435503904.db2.gz GNOGXHVKOWDMPT-GOSISDBHSA-N 2 1 322.452 3.330 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000569119137 435506417 /nfs/dbraw/zinc/50/64/17/435506417.db2.gz YSJNYJUVOKRNHD-NVXWUHKLSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000569119137 435506420 /nfs/dbraw/zinc/50/64/20/435506420.db2.gz YSJNYJUVOKRNHD-NVXWUHKLSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000569119137 435506422 /nfs/dbraw/zinc/50/64/22/435506422.db2.gz YSJNYJUVOKRNHD-NVXWUHKLSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000569119137 435506423 /nfs/dbraw/zinc/50/64/23/435506423.db2.gz YSJNYJUVOKRNHD-NVXWUHKLSA-N 2 1 321.896 3.335 20 0 DGADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000569119137 435506425 /nfs/dbraw/zinc/50/64/25/435506425.db2.gz YSJNYJUVOKRNHD-NVXWUHKLSA-N 2 1 321.896 3.335 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000644835013 435523653 /nfs/dbraw/zinc/52/36/53/435523653.db2.gz SVNBPTPBVDVASV-SJORKVTESA-N 2 1 324.415 3.104 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000538868748 435527602 /nfs/dbraw/zinc/52/76/02/435527602.db2.gz IOJXSYMZMBZMBF-MAUKXSAKSA-N 2 1 304.453 3.468 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2sccc2C)[C@H](C)C1 ZINC000538118181 435483508 /nfs/dbraw/zinc/48/35/08/435483508.db2.gz WYXLYSRYHFITMN-IAGOWNOFSA-N 2 1 324.534 3.326 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](CCCOc2ccc(OC)cc2)CC1 ZINC000640017057 435491077 /nfs/dbraw/zinc/49/10/77/435491077.db2.gz BADXJHYYUAKUCU-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000484489334 435546878 /nfs/dbraw/zinc/54/68/78/435546878.db2.gz GDHTZNMZNNHBGG-IIAWOOMASA-N 2 1 310.869 3.427 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000484918257 435555951 /nfs/dbraw/zinc/55/59/51/435555951.db2.gz RKBLXIIYZJTOEW-HOTGVXAUSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC000484986779 435557775 /nfs/dbraw/zinc/55/77/75/435557775.db2.gz IYUNBYLBGBIHEA-CVEARBPZSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC000484986785 435558452 /nfs/dbraw/zinc/55/84/52/435558452.db2.gz IYUNBYLBGBIHEA-JKSUJKDBSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000645102241 435566947 /nfs/dbraw/zinc/56/69/47/435566947.db2.gz JYYBCNGQMBERCK-FXAWDEMLSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1cccc(Br)c1 ZINC000569862171 435567277 /nfs/dbraw/zinc/56/72/77/435567277.db2.gz DHXQQWYXYNVPAW-LALPHHSUSA-N 2 1 311.267 3.364 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1cccc(Br)c1 ZINC000569862171 435567282 /nfs/dbraw/zinc/56/72/82/435567282.db2.gz DHXQQWYXYNVPAW-LALPHHSUSA-N 2 1 311.267 3.364 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516981866 435567920 /nfs/dbraw/zinc/56/79/20/435567920.db2.gz YMHVVUVXXACNRS-AHRSYUTCSA-N 3 1 315.505 3.278 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649407773 435579906 /nfs/dbraw/zinc/57/99/06/435579906.db2.gz UFWYPIWTAJJXRC-GBESFXJTSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649407773 435579909 /nfs/dbraw/zinc/57/99/09/435579909.db2.gz UFWYPIWTAJJXRC-GBESFXJTSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000539093790 435539039 /nfs/dbraw/zinc/53/90/39/435539039.db2.gz PSYFUIKDISCDKF-OKZBNKHCSA-N 2 1 304.478 3.391 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000539093957 435540129 /nfs/dbraw/zinc/54/01/29/435540129.db2.gz PWWQRAONGCRYSU-OWCLPIDISA-N 2 1 322.518 3.353 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1O ZINC000516604584 435541356 /nfs/dbraw/zinc/54/13/56/435541356.db2.gz ZCWJNMXCSPHNMK-NVXWUHKLSA-N 2 1 320.477 3.042 20 0 DGADMP CC[N@@H+](C[C@H](OC)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000644925000 435541361 /nfs/dbraw/zinc/54/13/61/435541361.db2.gz CYLRMEYEACUNAJ-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@H](OC)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644925000 435541367 /nfs/dbraw/zinc/54/13/67/435541367.db2.gz CYLRMEYEACUNAJ-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@H](OC)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644925000 435541370 /nfs/dbraw/zinc/54/13/70/435541370.db2.gz CYLRMEYEACUNAJ-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000484500352 435545581 /nfs/dbraw/zinc/54/55/81/435545581.db2.gz KQYAPZNNIWRYDT-HTBDUDNFSA-N 2 1 304.478 3.156 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000570495315 435624377 /nfs/dbraw/zinc/62/43/77/435624377.db2.gz SUODEVIRYCRVOX-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000570507765 435627141 /nfs/dbraw/zinc/62/71/41/435627141.db2.gz WPCPNFOXORARRY-MKXGPGLRSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000570507765 435627142 /nfs/dbraw/zinc/62/71/42/435627142.db2.gz WPCPNFOXORARRY-MKXGPGLRSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000570507765 435627146 /nfs/dbraw/zinc/62/71/46/435627146.db2.gz WPCPNFOXORARRY-MKXGPGLRSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cncc(C)n2)cc1 ZINC000649576177 435629770 /nfs/dbraw/zinc/62/97/70/435629770.db2.gz OVEWTKKIYKQLLJ-HNNXBMFYSA-N 2 1 321.428 3.172 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000540977097 435630383 /nfs/dbraw/zinc/63/03/83/435630383.db2.gz SUYUWRRAISDTCZ-ZBFHGGJFSA-N 2 1 312.461 3.306 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000540285847 435596596 /nfs/dbraw/zinc/59/65/96/435596596.db2.gz QNPRKBQCKFJBSE-HOCLYGCPSA-N 2 1 306.413 3.232 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533868 435598567 /nfs/dbraw/zinc/59/85/67/435598567.db2.gz XSZHOKIFVSMPMC-UHFFFAOYSA-N 2 1 306.498 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533868 435598572 /nfs/dbraw/zinc/59/85/72/435598572.db2.gz XSZHOKIFVSMPMC-UHFFFAOYSA-N 3 1 306.498 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533868 435598575 /nfs/dbraw/zinc/59/85/75/435598575.db2.gz XSZHOKIFVSMPMC-UHFFFAOYSA-N 3 1 306.498 3.170 20 0 DGADMP CCC(CC)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570246801 435602539 /nfs/dbraw/zinc/60/25/39/435602539.db2.gz BKPQGLHGLIFJBA-QGZVFWFLSA-N 2 1 324.896 3.400 20 0 DGADMP CCC(CC)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570246801 435602542 /nfs/dbraw/zinc/60/25/42/435602542.db2.gz BKPQGLHGLIFJBA-QGZVFWFLSA-N 2 1 324.896 3.400 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)C(C)(C)C)C2)s1 ZINC000649603483 435640595 /nfs/dbraw/zinc/64/05/95/435640595.db2.gz OVUOYOPITNDLEH-RDJZCZTQSA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)C(C)(C)C)C2)s1 ZINC000649603483 435640600 /nfs/dbraw/zinc/64/06/00/435640600.db2.gz OVUOYOPITNDLEH-RDJZCZTQSA-N 2 1 324.534 3.217 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762423 435648675 /nfs/dbraw/zinc/64/86/75/435648675.db2.gz WQQJINGWRZFOIF-PBHICJAKSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762423 435648679 /nfs/dbraw/zinc/64/86/79/435648679.db2.gz WQQJINGWRZFOIF-PBHICJAKSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762423 435648682 /nfs/dbraw/zinc/64/86/82/435648682.db2.gz WQQJINGWRZFOIF-PBHICJAKSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(Cl)c1 ZINC000570762423 435648686 /nfs/dbraw/zinc/64/86/86/435648686.db2.gz WQQJINGWRZFOIF-PBHICJAKSA-N 2 1 308.853 3.265 20 0 DGADMP C[C@@H](CCNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000548064407 435665807 /nfs/dbraw/zinc/66/58/07/435665807.db2.gz VRWSNHMZCXVZKM-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@@H](C)C1 ZINC000488443241 435638361 /nfs/dbraw/zinc/63/83/61/435638361.db2.gz GIDTYBMCIDZFMK-WMZOPIPTSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155617 435673394 /nfs/dbraw/zinc/67/33/94/435673394.db2.gz DEBWUWSKOIPAJA-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155617 435673398 /nfs/dbraw/zinc/67/33/98/435673398.db2.gz DEBWUWSKOIPAJA-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155617 435673406 /nfs/dbraw/zinc/67/34/06/435673406.db2.gz DEBWUWSKOIPAJA-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCCC3)CCCO1 ZINC000491332713 435731777 /nfs/dbraw/zinc/73/17/77/435731777.db2.gz JAYFQESXMLUTJM-QGZVFWFLSA-N 2 1 316.489 3.156 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](OC)C1CCCC1 ZINC000660416690 435732605 /nfs/dbraw/zinc/73/26/05/435732605.db2.gz MGHOWFQUTYTSJM-QGZVFWFLSA-N 2 1 307.482 3.363 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000660416690 435732610 /nfs/dbraw/zinc/73/26/10/435732610.db2.gz MGHOWFQUTYTSJM-QGZVFWFLSA-N 2 1 307.482 3.363 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](OC)C1CCCC1 ZINC000660416589 435733064 /nfs/dbraw/zinc/73/30/64/435733064.db2.gz MGHOWFQUTYTSJM-KRWDZBQOSA-N 2 1 307.482 3.363 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000660416589 435733071 /nfs/dbraw/zinc/73/30/71/435733071.db2.gz MGHOWFQUTYTSJM-KRWDZBQOSA-N 2 1 307.482 3.363 20 0 DGADMP COc1cccc(SCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000660416593 435734778 /nfs/dbraw/zinc/73/47/78/435734778.db2.gz UABRQIMHWVORAH-OAHLLOKOSA-N 2 1 308.491 3.203 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000660416593 435734781 /nfs/dbraw/zinc/73/47/81/435734781.db2.gz UABRQIMHWVORAH-OAHLLOKOSA-N 2 1 308.491 3.203 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)c2ccccc21 ZINC000571789051 435736357 /nfs/dbraw/zinc/73/63/57/435736357.db2.gz GKGNONWSYYFCHD-WOJBJXKFSA-N 2 1 318.424 3.166 20 0 DGADMP Cc1ccc(C[NH+](C)C/C=C\C[N@H+](C)Cc2ccc(C)cn2)nc1 ZINC000649902730 435741412 /nfs/dbraw/zinc/74/14/12/435741412.db2.gz FWUQOFJBLBQLMW-WAYWQWQTSA-N 2 1 324.472 3.213 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000655719500 435748099 /nfs/dbraw/zinc/74/80/99/435748099.db2.gz KFEPUVIOVPHOQA-JFRXWTBNSA-N 2 1 306.494 3.188 20 0 DGADMP CSc1cc(C)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655723789 435751439 /nfs/dbraw/zinc/75/14/39/435751439.db2.gz STMKKMYULDPUPT-KRWDZBQOSA-N 2 1 320.502 3.060 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000655730268 435754059 /nfs/dbraw/zinc/75/40/59/435754059.db2.gz QWWFJOXHIWSQOJ-GBESFXJTSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1ccc2cc[nH+]c(N3CCO[C@H](CCC[NH+](C)C)C3)c2c1 ZINC000664657800 435756396 /nfs/dbraw/zinc/75/63/96/435756396.db2.gz PUULOLKLCPNOIB-QGZVFWFLSA-N 2 1 313.445 3.090 20 0 DGADMP CC(C)C(C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(C)C ZINC000519754584 435706105 /nfs/dbraw/zinc/70/61/05/435706105.db2.gz WPLSNHYBJBKWTM-LJQANCHMSA-N 2 1 318.505 3.271 20 0 DGADMP CCn1cc(C[N@H+](CCCCn2cc[nH+]c2C)C(C)C)cn1 ZINC000649814498 435713128 /nfs/dbraw/zinc/71/31/28/435713128.db2.gz ROYWLMCCEPZGPB-UHFFFAOYSA-N 2 1 303.454 3.099 20 0 DGADMP CCn1cc(C[N@@H+](CCCCn2cc[nH+]c2C)C(C)C)cn1 ZINC000649814498 435713133 /nfs/dbraw/zinc/71/31/33/435713133.db2.gz ROYWLMCCEPZGPB-UHFFFAOYSA-N 2 1 303.454 3.099 20 0 DGADMP CC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655770792 435787119 /nfs/dbraw/zinc/78/71/19/435787119.db2.gz PJQJTSGOMJBKKI-QGZVFWFLSA-N 2 1 324.415 3.141 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC2CCC1CC2 ZINC000655779869 435793436 /nfs/dbraw/zinc/79/34/36/435793436.db2.gz SVQMQSKFGSZGCN-WXVPWVKJSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000550704012 435811467 /nfs/dbraw/zinc/81/14/67/435811467.db2.gz RFSDRWUHPIALHF-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP CSc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000641764797 435812688 /nfs/dbraw/zinc/81/26/88/435812688.db2.gz NNJYVNVTPMRORR-WBVHZDCISA-N 2 1 316.470 3.437 20 0 DGADMP CSc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000641764797 435812693 /nfs/dbraw/zinc/81/26/93/435812693.db2.gz NNJYVNVTPMRORR-WBVHZDCISA-N 2 1 316.470 3.437 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000550885044 435812838 /nfs/dbraw/zinc/81/28/38/435812838.db2.gz CBXCYPBCTMJRNB-YLJYHZDGSA-N 2 1 314.473 3.496 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000550885044 435812847 /nfs/dbraw/zinc/81/28/47/435812847.db2.gz CBXCYPBCTMJRNB-YLJYHZDGSA-N 2 1 314.473 3.496 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1N ZINC000641765634 435816664 /nfs/dbraw/zinc/81/66/64/435816664.db2.gz RKGJAKFXCSLSSM-LJQANCHMSA-N 2 1 324.472 3.054 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1N ZINC000641765634 435816674 /nfs/dbraw/zinc/81/66/74/435816674.db2.gz RKGJAKFXCSLSSM-LJQANCHMSA-N 2 1 324.472 3.054 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCn2ccnc2)C[C@H]1c1ccccc1 ZINC000551006700 435816658 /nfs/dbraw/zinc/81/66/58/435816658.db2.gz IKMHEYLKSDUFQJ-MOPGFXCFSA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCn2ccnc2)C[C@H]1c1ccccc1 ZINC000551006700 435816666 /nfs/dbraw/zinc/81/66/66/435816666.db2.gz IKMHEYLKSDUFQJ-MOPGFXCFSA-N 2 1 312.461 3.088 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551052277 435819060 /nfs/dbraw/zinc/81/90/60/435819060.db2.gz ZFYKOZUYNCRVRK-IPMKNSEASA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551052277 435819070 /nfs/dbraw/zinc/81/90/70/435819070.db2.gz ZFYKOZUYNCRVRK-IPMKNSEASA-N 2 1 304.478 3.209 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000655815794 435819656 /nfs/dbraw/zinc/81/96/56/435819656.db2.gz INJOSYIWOHMPER-SFHVURJKSA-N 2 1 314.473 3.200 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000655815794 435819660 /nfs/dbraw/zinc/81/96/60/435819660.db2.gz INJOSYIWOHMPER-SFHVURJKSA-N 2 1 314.473 3.200 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000551032804 435820193 /nfs/dbraw/zinc/82/01/93/435820193.db2.gz YWNCFOPMSMGCER-OKZBNKHCSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000551032804 435820198 /nfs/dbraw/zinc/82/01/98/435820198.db2.gz YWNCFOPMSMGCER-OKZBNKHCSA-N 2 1 304.478 3.473 20 0 DGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660473673 435766899 /nfs/dbraw/zinc/76/68/99/435766899.db2.gz SJQHVQCUDCXGAI-HOCLYGCPSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473673 435766906 /nfs/dbraw/zinc/76/69/06/435766906.db2.gz SJQHVQCUDCXGAI-HOCLYGCPSA-N 2 1 324.415 3.213 20 0 DGADMP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474627 435767278 /nfs/dbraw/zinc/76/72/78/435767278.db2.gz KMSJSZMSYSRNKP-ZTJJKMQJSA-N 2 1 314.473 3.277 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655752488 435772974 /nfs/dbraw/zinc/77/29/74/435772974.db2.gz YUGHZARWLAXTCW-KBMXLJTQSA-N 2 1 302.466 3.089 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655752488 435772976 /nfs/dbraw/zinc/77/29/76/435772976.db2.gz YUGHZARWLAXTCW-KBMXLJTQSA-N 2 1 302.466 3.089 20 0 DGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757343 435778929 /nfs/dbraw/zinc/77/89/29/435778929.db2.gz FHLQINOORIIHQF-HUUCEWRRSA-N 2 1 322.415 3.196 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104606 435779998 /nfs/dbraw/zinc/77/99/98/435779998.db2.gz SCXYUGJPMDDETN-QGZVFWFLSA-N 2 1 306.425 3.073 20 0 DGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000655758635 435780300 /nfs/dbraw/zinc/78/03/00/435780300.db2.gz CCINAZYSXCLAMR-HKUYNNGSSA-N 2 1 316.489 3.381 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC000572468749 435828034 /nfs/dbraw/zinc/82/80/34/435828034.db2.gz ZOHIRSPSIRLMEE-YRPNKDGESA-N 2 1 314.473 3.198 20 0 DGADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651789857 435829718 /nfs/dbraw/zinc/82/97/18/435829718.db2.gz BJIYXFZFEDGBNK-QGZVFWFLSA-N 2 1 321.424 3.440 20 0 DGADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651789857 435829725 /nfs/dbraw/zinc/82/97/25/435829725.db2.gz BJIYXFZFEDGBNK-QGZVFWFLSA-N 2 1 321.424 3.440 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000641809928 435830381 /nfs/dbraw/zinc/83/03/81/435830381.db2.gz ZCBBILNMBUZONJ-QZTJIDSGSA-N 2 1 323.440 3.154 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1cccc(Cl)c1)C2 ZINC000660653239 435841008 /nfs/dbraw/zinc/84/10/08/435841008.db2.gz QCIOCNQPYALFBT-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc(Cl)c1)C2 ZINC000660653239 435841014 /nfs/dbraw/zinc/84/10/14/435841014.db2.gz QCIOCNQPYALFBT-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc(Cl)c1)C2 ZINC000660653239 435841022 /nfs/dbraw/zinc/84/10/22/435841022.db2.gz QCIOCNQPYALFBT-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1OC(F)F)C2 ZINC000660653235 435842288 /nfs/dbraw/zinc/84/22/88/435842288.db2.gz QBWCANZKSWKWCA-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP Cc1cc(C)cc(OCCN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654943 435844731 /nfs/dbraw/zinc/84/47/31/435844731.db2.gz JKEDWQKMYFKOGL-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660654943 435844735 /nfs/dbraw/zinc/84/47/35/435844735.db2.gz JKEDWQKMYFKOGL-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654943 435844739 /nfs/dbraw/zinc/84/47/39/435844739.db2.gz JKEDWQKMYFKOGL-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657089 435845096 /nfs/dbraw/zinc/84/50/96/435845096.db2.gz VGHNSVZNOMXROK-LJQANCHMSA-N 2 1 311.429 3.259 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000651865180 435846305 /nfs/dbraw/zinc/84/63/05/435846305.db2.gz PRHZPMWYPFGRMU-UHFFFAOYSA-N 2 1 320.506 3.216 20 0 DGADMP Fc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000651864049 435848020 /nfs/dbraw/zinc/84/80/20/435848020.db2.gz GJXSHBRICFNDLU-JKSUJKDBSA-N 2 1 302.437 3.464 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866100 435850039 /nfs/dbraw/zinc/85/00/39/435850039.db2.gz URYQQOHKVCHIFW-KRWDZBQOSA-N 2 1 319.493 3.280 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665923 435850632 /nfs/dbraw/zinc/85/06/32/435850632.db2.gz ZKWDVJKHLDXHOA-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000651866430 435851514 /nfs/dbraw/zinc/85/15/14/435851514.db2.gz DOJJXYPSKOQPLV-UHFFFAOYSA-N 2 1 318.440 3.079 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000651866430 435851519 /nfs/dbraw/zinc/85/15/19/435851519.db2.gz DOJJXYPSKOQPLV-UHFFFAOYSA-N 2 1 318.440 3.079 20 0 DGADMP CC[C@H](OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000651908468 435861061 /nfs/dbraw/zinc/86/10/61/435861061.db2.gz FJZULDUKRIWOGA-QYZOEREBSA-N 2 1 302.462 3.371 20 0 DGADMP CC[C@@H](OCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000651909055 435861094 /nfs/dbraw/zinc/86/10/94/435861094.db2.gz VPEWUHVNZQMCCJ-LJQANCHMSA-N 2 1 302.462 3.371 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000572744142 435862266 /nfs/dbraw/zinc/86/22/66/435862266.db2.gz HAELBBMPMIWKEV-PBHICJAKSA-N 2 1 321.440 3.007 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000572744142 435862271 /nfs/dbraw/zinc/86/22/71/435862271.db2.gz HAELBBMPMIWKEV-PBHICJAKSA-N 2 1 321.440 3.007 20 0 DGADMP CC[C@H](c1ccccc1)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695072 435862387 /nfs/dbraw/zinc/86/23/87/435862387.db2.gz LTNRGEDGXYHPBT-GOSISDBHSA-N 2 1 304.478 3.210 20 0 DGADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3[C@H](C)CCC3(C)C)c2cc1C ZINC000650286447 435878690 /nfs/dbraw/zinc/87/86/90/435878690.db2.gz PJGUIQHGDMOGEJ-CVEARBPZSA-N 2 1 315.461 3.277 20 0 DGADMP CC[N@@H+](CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910338 435862685 /nfs/dbraw/zinc/86/26/85/435862685.db2.gz PUYNKTWUTCAAOT-MJGOQNOKSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910338 435862691 /nfs/dbraw/zinc/86/26/91/435862691.db2.gz PUYNKTWUTCAAOT-MJGOQNOKSA-N 2 1 307.526 3.248 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910338 435862697 /nfs/dbraw/zinc/86/26/97/435862697.db2.gz PUYNKTWUTCAAOT-MJGOQNOKSA-N 2 1 307.526 3.248 20 0 DGADMP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655938533 435865364 /nfs/dbraw/zinc/86/53/64/435865364.db2.gz XGUIPGSUJWNXBK-KDOFPFPSSA-N 2 1 308.416 3.361 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655938533 435865372 /nfs/dbraw/zinc/86/53/72/435865372.db2.gz XGUIPGSUJWNXBK-KDOFPFPSSA-N 2 1 308.416 3.361 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC000572468747 435827056 /nfs/dbraw/zinc/82/70/56/435827056.db2.gz ZOHIRSPSIRLMEE-HAGHYFMRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC000572468748 435827071 /nfs/dbraw/zinc/82/70/71/435827071.db2.gz ZOHIRSPSIRLMEE-IYWMVGAKSA-N 2 1 314.473 3.198 20 0 DGADMP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000646578750 435903724 /nfs/dbraw/zinc/90/37/24/435903724.db2.gz CUYUHGTYDVOQPX-IBGZPJMESA-N 2 1 323.440 3.139 20 0 DGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000656194962 435908484 /nfs/dbraw/zinc/90/84/84/435908484.db2.gz VIYHJVMEZDONBG-UXLLHSPISA-N 2 1 318.461 3.419 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656193061 435908837 /nfs/dbraw/zinc/90/88/37/435908837.db2.gz LAYGVFMGNNFXCP-UXPWSPDFSA-N 2 1 315.505 3.421 20 0 DGADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000656193873 435909865 /nfs/dbraw/zinc/90/98/65/435909865.db2.gz WOFYRZPDQYLDNA-KRWDZBQOSA-N 2 1 312.461 3.183 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273723 435936429 /nfs/dbraw/zinc/93/64/29/435936429.db2.gz CIJIAFHAQUKCRS-ZBFHGGJFSA-N 2 1 304.482 3.088 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000652222396 435925654 /nfs/dbraw/zinc/92/56/54/435925654.db2.gz NIVMJZRYDLCZSE-IRXDYDNUSA-N 2 1 306.498 3.014 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000652222452 435926455 /nfs/dbraw/zinc/92/64/55/435926455.db2.gz PBVWGPHVVFGBPJ-ZDUSSCGKSA-N 2 1 305.422 3.162 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000652222452 435926458 /nfs/dbraw/zinc/92/64/58/435926458.db2.gz PBVWGPHVVFGBPJ-ZDUSSCGKSA-N 2 1 305.422 3.162 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cccc3Br)CCCC1 ZINC000665248393 435928019 /nfs/dbraw/zinc/92/80/19/435928019.db2.gz WJCNOGOWSCYSIO-CQSZACIVSA-N 2 1 309.251 3.298 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CCSCC1 ZINC000665254790 435930150 /nfs/dbraw/zinc/93/01/50/435930150.db2.gz ZVFLKBROYYXDEM-FSPWUOQZSA-N 2 1 322.493 3.393 20 0 DGADMP FC1(F)CC12C[NH+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000656265604 435931032 /nfs/dbraw/zinc/93/10/32/435931032.db2.gz DJSJFBDZUKFSGO-UHFFFAOYSA-N 2 1 322.399 3.002 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)C(C)(C)n1cncn1)C1CCCCC1 ZINC000652237796 435931782 /nfs/dbraw/zinc/93/17/82/435931782.db2.gz FFMYSIKFTIJNPN-MRXNPFEDSA-N 2 1 321.513 3.036 20 0 DGADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H](OC4CCC4)C3)c2)cn1 ZINC000656271711 435932936 /nfs/dbraw/zinc/93/29/36/435932936.db2.gz KIQRZMUIVPRWJH-MRXNPFEDSA-N 2 1 317.458 3.467 20 0 DGADMP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902178 435879586 /nfs/dbraw/zinc/87/95/86/435879586.db2.gz PIPKUAVDZBFAGO-CRAIPNDOSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902178 435879591 /nfs/dbraw/zinc/87/95/91/435879591.db2.gz PIPKUAVDZBFAGO-CRAIPNDOSA-N 2 1 322.880 3.445 20 0 DGADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3[C@H](C)CCC3(C)C)c2cc1C ZINC000650286449 435879915 /nfs/dbraw/zinc/87/99/15/435879915.db2.gz PJGUIQHGDMOGEJ-HZPDHXFCSA-N 2 1 315.461 3.277 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000552086687 435880474 /nfs/dbraw/zinc/88/04/74/435880474.db2.gz MYMJUZDQJLBBLH-XJKSGUPXSA-N 2 1 305.853 3.225 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CO1 ZINC000647171493 435960149 /nfs/dbraw/zinc/96/01/49/435960149.db2.gz LWKFKZVFNJTORQ-GJYPPUQNSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CO1 ZINC000647171494 435961402 /nfs/dbraw/zinc/96/14/02/435961402.db2.gz LWKFKZVFNJTORQ-GPMSIDNRSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H](NCc1ccc2c(n1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534115 435967409 /nfs/dbraw/zinc/96/74/09/435967409.db2.gz AKCCHUWXIQZRHT-DOTOQJQBSA-N 2 1 313.489 3.313 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000656534115 435967414 /nfs/dbraw/zinc/96/74/14/435967414.db2.gz AKCCHUWXIQZRHT-DOTOQJQBSA-N 2 1 313.489 3.313 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000656534115 435967417 /nfs/dbraw/zinc/96/74/17/435967417.db2.gz AKCCHUWXIQZRHT-DOTOQJQBSA-N 2 1 313.489 3.313 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CO1 ZINC000647195822 435970054 /nfs/dbraw/zinc/97/00/54/435970054.db2.gz FIZDIVMUTHFAMA-RWQQGDIJSA-N 2 1 302.462 3.054 20 0 DGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706319 435994752 /nfs/dbraw/zinc/99/47/52/435994752.db2.gz ISHQYNTXXFDMSM-GRDNDAEWSA-N 2 1 308.491 3.029 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000650513023 435939435 /nfs/dbraw/zinc/93/94/35/435939435.db2.gz FMTJQEXCIWJFKO-SFHVURJKSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352346 435955534 /nfs/dbraw/zinc/95/55/34/435955534.db2.gz HYFMEYUXUCARMS-ALKREAHSSA-N 2 1 311.429 3.463 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352346 435955539 /nfs/dbraw/zinc/95/55/39/435955539.db2.gz HYFMEYUXUCARMS-ALKREAHSSA-N 2 1 311.429 3.463 20 0 DGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348397 435956464 /nfs/dbraw/zinc/95/64/64/435956464.db2.gz BZUWSDUMQCEDMQ-ZCNNSNEGSA-N 2 1 316.489 3.146 20 0 DGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348265 435956541 /nfs/dbraw/zinc/95/65/41/435956541.db2.gz ZLHRWGUAQIBZKS-OSDKZWGASA-N 2 1 324.415 3.244 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)[C@@H]1CC[NH3+] ZINC000652355666 435957066 /nfs/dbraw/zinc/95/70/66/435957066.db2.gz CIKQLEFKROMASN-XJKSGUPXSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)[C@@H]1CC[NH3+] ZINC000652355666 435957073 /nfs/dbraw/zinc/95/70/73/435957073.db2.gz CIKQLEFKROMASN-XJKSGUPXSA-N 2 1 317.408 3.430 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650711084 435998261 /nfs/dbraw/zinc/99/82/61/435998261.db2.gz HQTBAPQGUIZCQA-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711171 435998358 /nfs/dbraw/zinc/99/83/58/435998358.db2.gz KRAOZWBALOFXMY-GOEBONIOSA-N 2 1 300.450 3.006 20 0 DGADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711171 435998360 /nfs/dbraw/zinc/99/83/60/435998360.db2.gz KRAOZWBALOFXMY-GOEBONIOSA-N 2 1 300.450 3.006 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc2c1 ZINC000650711787 435998946 /nfs/dbraw/zinc/99/89/46/435998946.db2.gz DJICVYGGCQBDSB-SUMWQHHRSA-N 2 1 302.418 3.391 20 0 DGADMP CC(C)Cc1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650717903 436002665 /nfs/dbraw/zinc/00/26/65/436002665.db2.gz QHFXDVZBITVNFY-UHFFFAOYSA-N 2 1 307.438 3.229 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722146 436005898 /nfs/dbraw/zinc/00/58/98/436005898.db2.gz MHDFYLONNAUSCS-QRVBRYPASA-N 2 1 302.462 3.110 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000650722260 436006722 /nfs/dbraw/zinc/00/67/22/436006722.db2.gz ODPDUHJOUWQYON-AYBZRNKSSA-N 2 1 314.429 3.294 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000650725174 436008936 /nfs/dbraw/zinc/00/89/36/436008936.db2.gz UXNUFUCQPGGIJK-VAMGGRTRSA-N 2 1 314.473 3.425 20 0 DGADMP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)cc1 ZINC000650754439 436020333 /nfs/dbraw/zinc/02/03/33/436020333.db2.gz JEFZFECCRJXNAN-KRWDZBQOSA-N 2 1 322.811 3.415 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C2Cc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000647343690 436024203 /nfs/dbraw/zinc/02/42/03/436024203.db2.gz AFDBCTPMWWKXEF-CTNGQTDRSA-N 2 1 306.453 3.089 20 0 DGADMP COCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344025 436025748 /nfs/dbraw/zinc/02/57/48/436025748.db2.gz HVKIVHLKBZIGEN-ZRNYENFQSA-N 2 1 316.489 3.127 20 0 DGADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784336 436042738 /nfs/dbraw/zinc/04/27/38/436042738.db2.gz AOAVMJJEXKQHCY-OAHLLOKOSA-N 2 1 307.507 3.478 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705246 435995546 /nfs/dbraw/zinc/99/55/46/435995546.db2.gz AGXWTJOBOVAUOZ-NSHGMRRFSA-N 2 1 316.489 3.330 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000650706967 435995738 /nfs/dbraw/zinc/99/57/38/435995738.db2.gz WDJFORCINJAHPC-BZPMIXESSA-N 2 1 314.882 3.120 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000650706970 435995754 /nfs/dbraw/zinc/99/57/54/435995754.db2.gz WDJFORCINJAHPC-YRGRVCCFSA-N 2 1 314.882 3.120 20 0 DGADMP CC1(C)CCC(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708259 435996199 /nfs/dbraw/zinc/99/61/99/435996199.db2.gz WHTHSTNCQLPPHD-KSZLIROESA-N 2 1 308.510 3.421 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000650706537 435996520 /nfs/dbraw/zinc/99/65/20/435996520.db2.gz MUNKJTPOPUHFHA-QWFCFKBJSA-N 2 1 314.473 3.282 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)[C@@H]1CC[NH3+] ZINC000650711017 435997059 /nfs/dbraw/zinc/99/70/59/435997059.db2.gz GKWVZLBGWOUIRG-XJKSGUPXSA-N 2 1 316.474 3.154 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711257 435997210 /nfs/dbraw/zinc/99/72/10/435997210.db2.gz NDYYSKVLSIRPLN-DNVCBOLYSA-N 2 1 312.461 3.130 20 0 DGADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000650710300 435997264 /nfs/dbraw/zinc/99/72/64/435997264.db2.gz LQJXNKRDESKRAL-DOTOQJQBSA-N 2 1 311.429 3.494 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480302 436059100 /nfs/dbraw/zinc/05/91/00/436059100.db2.gz IYVUEDMJUYRYKT-PKOBYXMFSA-N 2 1 314.473 3.439 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480302 436059106 /nfs/dbraw/zinc/05/91/06/436059106.db2.gz IYVUEDMJUYRYKT-PKOBYXMFSA-N 2 1 314.473 3.439 20 0 DGADMP Brc1csc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483045 436063036 /nfs/dbraw/zinc/06/30/36/436063036.db2.gz ULRAPUUSLJXRDB-UHFFFAOYSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483045 436063041 /nfs/dbraw/zinc/06/30/41/436063041.db2.gz ULRAPUUSLJXRDB-UHFFFAOYSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482985 436063140 /nfs/dbraw/zinc/06/31/40/436063140.db2.gz PNOKQSLMIXHFET-UHFFFAOYSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482985 436063144 /nfs/dbraw/zinc/06/31/44/436063144.db2.gz PNOKQSLMIXHFET-UHFFFAOYSA-N 2 1 315.280 3.227 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000647482179 436064400 /nfs/dbraw/zinc/06/44/00/436064400.db2.gz ITLMDMJENPFGRP-UHFFFAOYSA-N 2 1 304.768 3.112 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000647496561 436065988 /nfs/dbraw/zinc/06/59/88/436065988.db2.gz UXPGFXTVQAVXAZ-OFQRWUPVSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000647496561 436065991 /nfs/dbraw/zinc/06/59/91/436065991.db2.gz UXPGFXTVQAVXAZ-OFQRWUPVSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000647498853 436066110 /nfs/dbraw/zinc/06/61/10/436066110.db2.gz SDRKLBXBVFNPQG-RHSMWYFYSA-N 2 1 318.852 3.085 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000647498853 436066114 /nfs/dbraw/zinc/06/61/14/436066114.db2.gz SDRKLBXBVFNPQG-RHSMWYFYSA-N 2 1 318.852 3.085 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647498419 436066413 /nfs/dbraw/zinc/06/64/13/436066413.db2.gz GWQZDHCDEZNVGQ-BLLLJJGKSA-N 2 1 318.852 3.289 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000647496562 436066754 /nfs/dbraw/zinc/06/67/54/436066754.db2.gz UXPGFXTVQAVXAZ-YCPHGPKFSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000647496562 436066757 /nfs/dbraw/zinc/06/67/57/436066757.db2.gz UXPGFXTVQAVXAZ-YCPHGPKFSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cccc(OC)c2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498277 436067019 /nfs/dbraw/zinc/06/70/19/436067019.db2.gz DMQHGBQOXAAYMG-HOCLYGCPSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498277 436067025 /nfs/dbraw/zinc/06/70/25/436067025.db2.gz DMQHGBQOXAAYMG-HOCLYGCPSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506490 436069090 /nfs/dbraw/zinc/06/90/90/436069090.db2.gz JFCGPJPWMQYNNC-JVDULTGUSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506490 436069093 /nfs/dbraw/zinc/06/90/93/436069093.db2.gz JFCGPJPWMQYNNC-JVDULTGUSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647509235 436069336 /nfs/dbraw/zinc/06/93/36/436069336.db2.gz WXFHOCBEQJXALT-UONOGXRCSA-N 2 1 324.428 3.002 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647499045 436069522 /nfs/dbraw/zinc/06/95/22/436069522.db2.gz XSTIVHCCPOYJSI-IAGOWNOFSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647499045 436069526 /nfs/dbraw/zinc/06/95/26/436069526.db2.gz XSTIVHCCPOYJSI-IAGOWNOFSA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539119 436076015 /nfs/dbraw/zinc/07/60/15/436076015.db2.gz XWOKXEAGNRKOFF-KXBFYZLASA-N 2 1 318.461 3.058 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000647539119 436076020 /nfs/dbraw/zinc/07/60/20/436076020.db2.gz XWOKXEAGNRKOFF-KXBFYZLASA-N 2 1 318.461 3.058 20 0 DGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2cn1 ZINC000647543811 436076881 /nfs/dbraw/zinc/07/68/81/436076881.db2.gz SJSIHHASKYVGHN-QUCCMNQESA-N 2 1 309.457 3.446 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543190 436077475 /nfs/dbraw/zinc/07/74/75/436077475.db2.gz IZFNYOXYNWMOOX-HOTGVXAUSA-N 2 1 324.415 3.500 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C ZINC000647544161 436077786 /nfs/dbraw/zinc/07/77/86/436077786.db2.gz XPYIOATVLLWHCW-MSOLQXFVSA-N 2 1 302.462 3.215 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)c1 ZINC000647543741 436079021 /nfs/dbraw/zinc/07/90/21/436079021.db2.gz RPHKJMOMKQGEQJ-MOPGFXCFSA-N 2 1 324.472 3.084 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC000647542912 436079139 /nfs/dbraw/zinc/07/91/39/436079139.db2.gz DQKYUMYTTXURFP-LSDHHAIUSA-N 2 1 306.425 3.046 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543866 436079396 /nfs/dbraw/zinc/07/93/96/436079396.db2.gz TUJDKLAFWVFSPT-IAGOWNOFSA-N 2 1 302.462 3.297 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1C ZINC000647544163 436080424 /nfs/dbraw/zinc/08/04/24/436080424.db2.gz XPYIOATVLLWHCW-ROUUACIJSA-N 2 1 302.462 3.215 20 0 DGADMP c1sc(C2CC2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544216 436081387 /nfs/dbraw/zinc/08/13/87/436081387.db2.gz YGHVWYWOGQLNJI-HUUCEWRRSA-N 2 1 305.491 3.232 20 0 DGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000647803966 436125947 /nfs/dbraw/zinc/12/59/47/436125947.db2.gz GEYUXAOJNUALPM-RTYCURFASA-N 2 1 300.446 3.267 20 0 DGADMP Fc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000647815160 436127915 /nfs/dbraw/zinc/12/79/15/436127915.db2.gz RLOYCDHWXMHZCF-UHFFFAOYSA-N 2 1 312.816 3.074 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1cnc2n1CCC2)c1nc2ccccc2[nH]1 ZINC000657308925 436128757 /nfs/dbraw/zinc/12/87/57/436128757.db2.gz YTRZNDWJQLREJR-KRWDZBQOSA-N 2 1 309.417 3.193 20 0 DGADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647884169 436141427 /nfs/dbraw/zinc/14/14/27/436141427.db2.gz WZKKMAXOCVNIJV-QFBILLFUSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000647889443 436142522 /nfs/dbraw/zinc/14/25/22/436142522.db2.gz QWNLFBRUKKRATH-QFBILLFUSA-N 2 1 302.462 3.228 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCCCC2)cc2c1OCO2 ZINC000647884458 436142663 /nfs/dbraw/zinc/14/26/63/436142663.db2.gz RQSMLDGANYDAIE-MRXNPFEDSA-N 2 1 316.445 3.160 20 0 DGADMP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657336717 436144675 /nfs/dbraw/zinc/14/46/75/436144675.db2.gz YRYJYODFYLHKHL-UHFFFAOYSA-N 2 1 316.493 3.042 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647905565 436144970 /nfs/dbraw/zinc/14/49/70/436144970.db2.gz KMJMBOPQOFSUTA-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000647924447 436150711 /nfs/dbraw/zinc/15/07/11/436150711.db2.gz SSMRKXFOBNDGKB-UHFFFAOYSA-N 2 1 307.388 3.190 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000647934649 436153235 /nfs/dbraw/zinc/15/32/35/436153235.db2.gz LICLRURFTULVEE-IUODEOHRSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000647934649 436153240 /nfs/dbraw/zinc/15/32/40/436153240.db2.gz LICLRURFTULVEE-IUODEOHRSA-N 2 1 311.267 3.317 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000657300814 436123886 /nfs/dbraw/zinc/12/38/86/436123886.db2.gz UZLSEGLOKLNNCL-UHFFFAOYSA-N 2 1 308.347 3.455 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000647961307 436160903 /nfs/dbraw/zinc/16/09/03/436160903.db2.gz AGBRIGSLNOGJOM-IBGZPJMESA-N 2 1 314.473 3.015 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000647961307 436160909 /nfs/dbraw/zinc/16/09/09/436160909.db2.gz AGBRIGSLNOGJOM-IBGZPJMESA-N 2 1 314.473 3.015 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cccc2ccccc21 ZINC000647961307 436160911 /nfs/dbraw/zinc/16/09/11/436160911.db2.gz AGBRIGSLNOGJOM-IBGZPJMESA-N 2 1 314.473 3.015 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000647961307 436160916 /nfs/dbraw/zinc/16/09/16/436160916.db2.gz AGBRIGSLNOGJOM-IBGZPJMESA-N 2 1 314.473 3.015 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977921 436166605 /nfs/dbraw/zinc/16/66/05/436166605.db2.gz JVIBWLKLZHHBRX-OALUTQOASA-N 2 1 316.489 3.339 20 0 DGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300951 301158309 /nfs/dbraw/zinc/15/83/09/301158309.db2.gz GFTIENQKGXFXCA-QGZVFWFLSA-N 2 1 302.462 3.315 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000647987270 436168399 /nfs/dbraw/zinc/16/83/99/436168399.db2.gz BREWLWMDFLXJHB-QZTJIDSGSA-N 2 1 302.462 3.004 20 0 DGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647989946 436169284 /nfs/dbraw/zinc/16/92/84/436169284.db2.gz HCZAYPFVYGTQSL-HUUCEWRRSA-N 2 1 308.853 3.040 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657398300 436179222 /nfs/dbraw/zinc/17/92/22/436179222.db2.gz JNDQSYFKTKPRSE-LHDHZVESSA-N 2 1 316.489 3.300 20 0 DGADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000657414352 436186966 /nfs/dbraw/zinc/18/69/66/436186966.db2.gz XUQJQKJVZZNVBG-HNNXBMFYSA-N 2 1 310.507 3.352 20 0 DGADMP Cc1c[nH]c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000657414608 436188899 /nfs/dbraw/zinc/18/88/99/436188899.db2.gz CSKANZJDQLMKGJ-FUHWJXTLSA-N 2 1 312.461 3.108 20 0 DGADMP CCC[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071974 436203801 /nfs/dbraw/zinc/20/38/01/436203801.db2.gz DXTSMCHTLSVXGL-IBGZPJMESA-N 2 1 316.489 3.367 20 0 DGADMP c1ccc2c(c1)onc2CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000653559888 436205058 /nfs/dbraw/zinc/20/50/58/436205058.db2.gz ZHICGWQODRMIOV-INIZCTEOSA-N 2 1 313.445 3.178 20 0 DGADMP c1ccc2c(c1)onc2CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000653559888 436205064 /nfs/dbraw/zinc/20/50/64/436205064.db2.gz ZHICGWQODRMIOV-INIZCTEOSA-N 2 1 313.445 3.178 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661845774 436206030 /nfs/dbraw/zinc/20/60/30/436206030.db2.gz VVKYDFOIGKMTDY-HZPDHXFCSA-N 2 1 305.466 3.298 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1CC[C@H](c2nccn2C)C1)c1ccccc1 ZINC000653590680 436219117 /nfs/dbraw/zinc/21/91/17/436219117.db2.gz VQSHJHWKYVBGDL-ROUUACIJSA-N 2 1 313.445 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]1(C)CO ZINC000662143013 436286574 /nfs/dbraw/zinc/28/65/74/436286574.db2.gz MQURJOSYAJQKCD-XLIONFOSSA-N 2 1 316.489 3.123 20 0 DGADMP CCCCC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000662155698 436288176 /nfs/dbraw/zinc/28/81/76/436288176.db2.gz MWFMXVIVAAFPEL-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662158791 436288536 /nfs/dbraw/zinc/28/85/36/436288536.db2.gz USBZZCHYFCWTNS-LJQANCHMSA-N 2 1 324.468 3.179 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000662031759 436251975 /nfs/dbraw/zinc/25/19/75/436251975.db2.gz UTMRAOPYQZNKAF-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC[NH2+]1 ZINC000666617794 436255239 /nfs/dbraw/zinc/25/52/39/436255239.db2.gz BOCUACTWFQRHRX-OWCLPIDISA-N 2 1 313.445 3.395 20 0 DGADMP CCc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657596998 436256951 /nfs/dbraw/zinc/25/69/51/436256951.db2.gz QHJKFRUSXLRNLE-NRFANRHFSA-N 2 1 324.468 3.105 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@@H](C)C1 ZINC000657596189 436257672 /nfs/dbraw/zinc/25/76/72/436257672.db2.gz MCCLNQIPRSQTOF-FIYPYCPBSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770563 436278715 /nfs/dbraw/zinc/27/87/15/436278715.db2.gz JOOXSGBQXUICPX-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1OC ZINC000666798902 436283890 /nfs/dbraw/zinc/28/38/90/436283890.db2.gz QEUDKOBKPRKIDX-ZBFHGGJFSA-N 2 1 308.466 3.336 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000657998678 436352300 /nfs/dbraw/zinc/35/23/00/436352300.db2.gz NPFJETHPYIJWOK-INIZCTEOSA-N 2 1 308.416 3.186 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662214658 436304441 /nfs/dbraw/zinc/30/44/41/436304441.db2.gz JGAYXPIVHONRAZ-UHFFFAOYSA-N 2 1 323.440 3.293 20 0 DGADMP CC[N@@H+](CCc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662252954 436312488 /nfs/dbraw/zinc/31/24/88/436312488.db2.gz RTLSHTIGAQIMPW-UHFFFAOYSA-N 2 1 300.471 3.458 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255918 436313370 /nfs/dbraw/zinc/31/33/70/436313370.db2.gz SMTNWJGTDUQROS-WDSOQIARSA-N 2 1 314.473 3.289 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253225 436313884 /nfs/dbraw/zinc/31/38/84/436313884.db2.gz UKBZMSNXYUQTKD-DYVFJYSZSA-N 2 1 320.864 3.386 20 0 DGADMP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662258422 436314162 /nfs/dbraw/zinc/31/41/62/436314162.db2.gz UNBFFAJYOCVDPP-KKSFZXQISA-N 2 1 322.452 3.294 20 0 DGADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662258418 436314639 /nfs/dbraw/zinc/31/46/39/436314639.db2.gz UNBFFAJYOCVDPP-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256907 436314905 /nfs/dbraw/zinc/31/49/05/436314905.db2.gz ZFXSLDGIPGELMM-ZWKOTPCHSA-N 2 1 300.446 3.043 20 0 DGADMP CC[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000662270492 436318575 /nfs/dbraw/zinc/31/85/75/436318575.db2.gz LOTQCEMVNXVVGW-RISCZKNCSA-N 2 1 300.418 3.116 20 0 DGADMP CC[C@@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000662270492 436318579 /nfs/dbraw/zinc/31/85/79/436318579.db2.gz LOTQCEMVNXVVGW-RISCZKNCSA-N 2 1 300.418 3.116 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OC ZINC000666981184 436318957 /nfs/dbraw/zinc/31/89/57/436318957.db2.gz ZBQOJHNQOYFJGY-DYVFJYSZSA-N 2 1 308.466 3.336 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000666992950 436320066 /nfs/dbraw/zinc/32/00/66/436320066.db2.gz LMNQPHXXNPGPOV-ZFWWWQNUSA-N 2 1 323.868 3.097 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000666983159 436320408 /nfs/dbraw/zinc/32/04/08/436320408.db2.gz ONWYAWGOBKFWCF-SPYBWZPUSA-N 2 1 320.477 3.289 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000662273913 436320901 /nfs/dbraw/zinc/32/09/01/436320901.db2.gz QRJRKNMSWSIUGY-HZPDHXFCSA-N 2 1 320.502 3.109 20 0 DGADMP Clc1cccc(SCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000662274789 436322336 /nfs/dbraw/zinc/32/23/36/436322336.db2.gz XDSCVQFIVKSBOM-OKILXGFUSA-N 2 1 310.894 3.364 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2O1 ZINC000666995079 436322449 /nfs/dbraw/zinc/32/24/49/436322449.db2.gz CKOGDNJXBDTPLW-INIZCTEOSA-N 2 1 300.446 3.164 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000662274111 436322601 /nfs/dbraw/zinc/32/26/01/436322601.db2.gz DCNPFUGMNHGFFW-LSDHHAIUSA-N 2 1 308.466 3.239 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657840857 436322875 /nfs/dbraw/zinc/32/28/75/436322875.db2.gz WZAJXBWNSIDKRF-IBGZPJMESA-N 2 1 314.473 3.261 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000662285824 436323191 /nfs/dbraw/zinc/32/31/91/436323191.db2.gz NMGXNKFSPQVZMV-FPCVCCKLSA-N 2 1 316.436 3.030 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290887 436323668 /nfs/dbraw/zinc/32/36/68/436323668.db2.gz MOZNPGRPWUWFOO-HIFRSBDPSA-N 2 1 320.481 3.140 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000657847576 436324502 /nfs/dbraw/zinc/32/45/02/436324502.db2.gz YKOPSYFGXSPJAH-NSHDSACASA-N 2 1 323.238 3.090 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCSc1ccc(F)cc1)CC[NH2+]CC2 ZINC000662282667 436324698 /nfs/dbraw/zinc/32/46/98/436324698.db2.gz IRASGOCZBMWPMC-CQSZACIVSA-N 2 1 308.466 3.382 20 0 DGADMP CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662311505 436327534 /nfs/dbraw/zinc/32/75/34/436327534.db2.gz UAAWILRMSSWDCV-YOEHRIQHSA-N 2 1 322.880 3.492 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657859951 436327627 /nfs/dbraw/zinc/32/76/27/436327627.db2.gz ZOSYHAHUOZTPCZ-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316059 436328935 /nfs/dbraw/zinc/32/89/35/436328935.db2.gz JOMFUWOHNSBSFG-SJLPKXTDSA-N 2 1 304.478 3.467 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662316762 436329230 /nfs/dbraw/zinc/32/92/30/436329230.db2.gz NDVPBIKDJPKKGJ-IEBWSBKVSA-N 2 1 304.478 3.433 20 0 DGADMP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662317348 436329248 /nfs/dbraw/zinc/32/92/48/436329248.db2.gz QHRFXEBHXQBFDV-VNHYZAJKSA-N 2 1 311.495 3.190 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662318155 436329661 /nfs/dbraw/zinc/32/96/61/436329661.db2.gz WLZWWLZKRRCOAT-HXUWFJFHSA-N 2 1 321.468 3.043 20 0 DGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323379 436331100 /nfs/dbraw/zinc/33/11/00/436331100.db2.gz QASZDRBPLFFDHY-HKUYNNGSSA-N 2 1 304.478 3.050 20 0 DGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326484 436331144 /nfs/dbraw/zinc/33/11/44/436331144.db2.gz UKHMRWYRKCJWPU-UZLBHIALSA-N 2 1 316.489 3.279 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)CCO1 ZINC000662324468 436331904 /nfs/dbraw/zinc/33/19/04/436331904.db2.gz WCBOIODOHVOZTR-YWPBOTNQSA-N 2 1 322.880 3.396 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CCO1 ZINC000662324468 436331909 /nfs/dbraw/zinc/33/19/09/436331909.db2.gz WCBOIODOHVOZTR-YWPBOTNQSA-N 2 1 322.880 3.396 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000662319838 436332024 /nfs/dbraw/zinc/33/20/24/436332024.db2.gz NSFVUXRIIUXORT-IEBWSBKVSA-N 2 1 302.462 3.107 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000662335700 436333814 /nfs/dbraw/zinc/33/38/14/436333814.db2.gz OZQJXDLFGXNRIQ-SCTDSRPQSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000657901476 436337071 /nfs/dbraw/zinc/33/70/71/436337071.db2.gz UJIRCYZMVHUCRG-BHIYHBOVSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000657901476 436337073 /nfs/dbraw/zinc/33/70/73/436337073.db2.gz UJIRCYZMVHUCRG-BHIYHBOVSA-N 2 1 314.473 3.198 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091062 436372621 /nfs/dbraw/zinc/37/26/21/436372621.db2.gz KOHOOGAEYGWICN-JKSUJKDBSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091062 436372624 /nfs/dbraw/zinc/37/26/24/436372624.db2.gz KOHOOGAEYGWICN-JKSUJKDBSA-N 2 1 317.477 3.175 20 0 DGADMP C[C@H]1CC[C@@](C)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1(C)C ZINC000658126319 436382485 /nfs/dbraw/zinc/38/24/85/436382485.db2.gz GBNMEVPAYXACNV-WDYCEAGBSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)C1 ZINC000658127598 436383724 /nfs/dbraw/zinc/38/37/24/436383724.db2.gz NQKUMUOHWXJKJD-FAJBIJEISA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135877 436385484 /nfs/dbraw/zinc/38/54/84/436385484.db2.gz FPGYXORWEUGSGC-QRVBRYPASA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658140793 436387444 /nfs/dbraw/zinc/38/74/44/436387444.db2.gz VMUWZCLAHJSWEM-UFYCRDLUSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143510 436387510 /nfs/dbraw/zinc/38/75/10/436387510.db2.gz ZDMVXXSFHYIOHK-YLJYHZDGSA-N 2 1 324.468 3.412 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143507 436387710 /nfs/dbraw/zinc/38/77/10/436387710.db2.gz ZDMVXXSFHYIOHK-FXAWDEMLSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1(CO)CC1 ZINC000658155336 436389518 /nfs/dbraw/zinc/38/95/18/436389518.db2.gz PEZMPUAZWAAUJI-IPJUCJBFSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000658178112 436395908 /nfs/dbraw/zinc/39/59/08/436395908.db2.gz YZDVDCDAVFHMGN-FQEVSTJZSA-N 2 1 316.489 3.079 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000658211260 436400537 /nfs/dbraw/zinc/40/05/37/436400537.db2.gz CYOXZZUIELEMJG-CMKODMSKSA-N 2 1 311.473 3.183 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000658251665 436410771 /nfs/dbraw/zinc/41/07/71/436410771.db2.gz GSUUIJJZMHGRJQ-TWMKSMIVSA-N 2 1 308.510 3.433 20 0 DGADMP C1COC2(C1)CCC([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658227297 436405208 /nfs/dbraw/zinc/40/52/08/436405208.db2.gz ACGKQQJGVXHVJV-TVRKMHQQSA-N 2 1 306.494 3.475 20 0 DGADMP C1COC2(C1)CCC([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658227297 436405211 /nfs/dbraw/zinc/40/52/11/436405211.db2.gz ACGKQQJGVXHVJV-TVRKMHQQSA-N 2 1 306.494 3.475 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320366 436429935 /nfs/dbraw/zinc/42/99/35/436429935.db2.gz UGSWOQHGFIJKNU-ZHALLVOQSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000658249332 436411266 /nfs/dbraw/zinc/41/12/66/436411266.db2.gz AHBGUEAXWSUBCX-MORSLUCNSA-N 2 1 311.429 3.135 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CCC(O)CC2)cc1 ZINC000658284003 436417635 /nfs/dbraw/zinc/41/76/35/436417635.db2.gz JSJLKAMWVHAMKD-ICXUMSERSA-N 2 1 313.445 3.382 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nsc3ccccc32)[C@H](C)C1 ZINC000658318630 436428307 /nfs/dbraw/zinc/42/83/07/436428307.db2.gz RAKJBIQCVXDZGO-UKRRQHHQSA-N 2 1 303.475 3.159 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC(F)(F)F ZINC000663476979 436468086 /nfs/dbraw/zinc/46/80/86/436468086.db2.gz AJZDPRKLZUTBNR-CQSZACIVSA-N 2 1 322.415 3.198 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000663501072 436470252 /nfs/dbraw/zinc/47/02/52/436470252.db2.gz ZJOFPEOJHUOARH-GOSISDBHSA-N 2 1 301.409 3.351 20 0 DGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH2+]C ZINC000663513502 436472990 /nfs/dbraw/zinc/47/29/90/436472990.db2.gz KUFQMQUAXDCRMY-SWLSCSKDSA-N 2 1 313.283 3.358 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@H](C3CC3)[NH+](C)C)c2cc1OC ZINC000663548968 436477985 /nfs/dbraw/zinc/47/79/85/436477985.db2.gz WXCQMGLFAJVAGG-OAHLLOKOSA-N 2 1 315.417 3.004 20 0 DGADMP Cc1cc(CO)cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000663682895 436491295 /nfs/dbraw/zinc/49/12/95/436491295.db2.gz NSWQVAQAWZZMNP-MRXNPFEDSA-N 2 1 313.445 3.205 20 0 DGADMP Cc1cc(CO)cc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000663682895 436491296 /nfs/dbraw/zinc/49/12/96/436491296.db2.gz NSWQVAQAWZZMNP-MRXNPFEDSA-N 2 1 313.445 3.205 20 0 DGADMP Cc1cc(CO)cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000663682895 436491299 /nfs/dbraw/zinc/49/12/99/436491299.db2.gz NSWQVAQAWZZMNP-MRXNPFEDSA-N 2 1 313.445 3.205 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000659854592 436544330 /nfs/dbraw/zinc/54/43/30/436544330.db2.gz ZECZIXXTGYQQFL-HDICACEKSA-N 2 1 309.542 3.018 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@@H+]1C ZINC000659983051 436572781 /nfs/dbraw/zinc/57/27/81/436572781.db2.gz CHBPYKGRCHIVNH-TZMCWYRMSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@H+]1C ZINC000659983051 436572785 /nfs/dbraw/zinc/57/27/85/436572785.db2.gz CHBPYKGRCHIVNH-TZMCWYRMSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983051 436572790 /nfs/dbraw/zinc/57/27/90/436572790.db2.gz CHBPYKGRCHIVNH-TZMCWYRMSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983051 436572791 /nfs/dbraw/zinc/57/27/91/436572791.db2.gz CHBPYKGRCHIVNH-TZMCWYRMSA-N 2 1 314.445 3.471 20 0 DGADMP c1ccc(SCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655682612 436573216 /nfs/dbraw/zinc/57/32/16/436573216.db2.gz HVRIDNXFZIVHOK-QGZVFWFLSA-N 2 1 320.502 3.012 20 0 DGADMP CC(C)c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655683559 436574326 /nfs/dbraw/zinc/57/43/26/436574326.db2.gz HHNPBPCITDYMSU-FQEVSTJZSA-N 2 1 316.489 3.195 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655688224 436574772 /nfs/dbraw/zinc/57/47/72/436574772.db2.gz RCLUPNBQCKEAQV-IBGZPJMESA-N 2 1 316.489 3.197 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655692694 436575761 /nfs/dbraw/zinc/57/57/61/436575761.db2.gz SEQKZBJDNQBIRD-IXDOHACOSA-N 2 1 304.482 3.066 20 0 DGADMP c1ccc(COCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660116244 436590299 /nfs/dbraw/zinc/59/02/99/436590299.db2.gz XKJYYKVJYXDTHI-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660116244 436590302 /nfs/dbraw/zinc/59/03/02/436590302.db2.gz XKJYYKVJYXDTHI-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(COCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660116244 436590305 /nfs/dbraw/zinc/59/03/05/436590305.db2.gz XKJYYKVJYXDTHI-AZUAARDMSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660157630 436596364 /nfs/dbraw/zinc/59/63/64/436596364.db2.gz VEAVHELMTIVXQL-GUDVDZBRSA-N 2 1 321.553 3.161 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220939 436607465 /nfs/dbraw/zinc/60/74/65/436607465.db2.gz NDBWMULAQVLGDN-LPHOPBHVSA-N 2 1 309.457 3.269 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343884160 302175846 /nfs/dbraw/zinc/17/58/46/302175846.db2.gz DGIZBVQRPHMMRX-WSTZPKSXSA-N 2 1 315.505 3.014 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](CCn3ccnc3C)CC2(C)C)c1 ZINC000528627481 313046058 /nfs/dbraw/zinc/04/60/58/313046058.db2.gz VDCUEBKRILLBMU-GOSISDBHSA-N 2 1 313.445 3.326 20 0 DGADMP COc1cccc([C@H]2C[N@H+](CCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627481 313046060 /nfs/dbraw/zinc/04/60/60/313046060.db2.gz VDCUEBKRILLBMU-GOSISDBHSA-N 2 1 313.445 3.326 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](CCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627481 313046061 /nfs/dbraw/zinc/04/60/61/313046061.db2.gz VDCUEBKRILLBMU-GOSISDBHSA-N 2 1 313.445 3.326 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000530230205 313343899 /nfs/dbraw/zinc/34/38/99/313343899.db2.gz FNBWEWFFFAMHLX-OTBHMBEGSA-N 2 1 316.489 3.148 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCc1c[nH+]cn1C)CCCS2 ZINC000530407426 313367209 /nfs/dbraw/zinc/36/72/09/313367209.db2.gz GKBBLYDKPRQGPE-MRXNPFEDSA-N 2 1 317.458 3.188 20 0 DGADMP CCCC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932325 313502671 /nfs/dbraw/zinc/50/26/71/313502671.db2.gz KBWJBQZRQXNTGO-HOTGVXAUSA-N 2 1 309.523 3.205 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539077768 313898520 /nfs/dbraw/zinc/89/85/20/313898520.db2.gz AVMIIYPVVWGBDS-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP C[NH+]1CCC([NH2+]CCn2c3ccccc3c3ccccc32)CC1 ZINC000541570017 314024114 /nfs/dbraw/zinc/02/41/14/314024114.db2.gz DWIBMTBFDWTPKD-UHFFFAOYSA-N 2 1 307.441 3.478 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000544580542 314201194 /nfs/dbraw/zinc/20/11/94/314201194.db2.gz YKPVOOLLUBITIX-GQGLESIBSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000544580542 314201196 /nfs/dbraw/zinc/20/11/96/314201196.db2.gz YKPVOOLLUBITIX-GQGLESIBSA-N 2 1 322.493 3.103 20 0 DGADMP CC[C@@H](C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)[NH+]1CCCC1 ZINC000545601915 314259519 /nfs/dbraw/zinc/25/95/19/314259519.db2.gz PLVIBXXDHVUYOX-RDJZCZTQSA-N 2 1 322.468 3.477 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000546166227 314293862 /nfs/dbraw/zinc/29/38/62/314293862.db2.gz HKADEQAWOVFOMW-MRXNPFEDSA-N 2 1 316.489 3.327 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504796 314374600 /nfs/dbraw/zinc/37/46/00/314374600.db2.gz JBISKTJABIJZDU-NSISKUIASA-N 2 1 318.505 3.284 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000554389690 314678825 /nfs/dbraw/zinc/67/88/25/314678825.db2.gz ALFNETZZUZFPRT-ZWKOTPCHSA-N 2 1 302.462 3.306 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000562516652 315026105 /nfs/dbraw/zinc/02/61/05/315026105.db2.gz CMMKVTXHMPYBTG-OGWHTMIXSA-N 2 1 302.462 3.054 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000562680087 315042902 /nfs/dbraw/zinc/04/29/02/315042902.db2.gz XKLMLXKSKCDQDA-UHFFFAOYSA-N 2 1 315.461 3.142 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000562955641 315064771 /nfs/dbraw/zinc/06/47/71/315064771.db2.gz FGICFDXMSRHWBD-FZKQIMNGSA-N 2 1 315.461 3.130 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000562959735 315064996 /nfs/dbraw/zinc/06/49/96/315064996.db2.gz OPADOISAAZACGQ-QZTJIDSGSA-N 2 1 320.440 3.054 20 0 DGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563350451 315104585 /nfs/dbraw/zinc/10/45/85/315104585.db2.gz NPWIMTCDGJHAOB-GDBMZVCRSA-N 2 1 301.409 3.370 20 0 DGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563350451 315104588 /nfs/dbraw/zinc/10/45/88/315104588.db2.gz NPWIMTCDGJHAOB-GDBMZVCRSA-N 2 1 301.409 3.370 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000563350831 315104611 /nfs/dbraw/zinc/10/46/11/315104611.db2.gz ZVZAMTHGNLIRNF-NVXWUHKLSA-N 2 1 320.440 3.313 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C(C)(C)C)cs1 ZINC000563351811 315104705 /nfs/dbraw/zinc/10/47/05/315104705.db2.gz AKYGJJDDYCCKAH-GFCCVEGCSA-N 2 1 306.479 3.458 20 0 DGADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1nc(C(F)(F)F)cs1 ZINC000563653832 315130111 /nfs/dbraw/zinc/13/01/11/315130111.db2.gz BLRVUTPBNSMULW-YUMQZZPRSA-N 2 1 316.352 3.093 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000565137195 315233714 /nfs/dbraw/zinc/23/37/14/315233714.db2.gz XEECCDHRQFEPDU-BTHPGYMESA-N 2 1 316.489 3.302 20 0 DGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000565157557 315235498 /nfs/dbraw/zinc/23/54/98/315235498.db2.gz OFWJBSWPTQLZIP-IRXDYDNUSA-N 2 1 307.482 3.268 20 0 DGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000565157557 315235499 /nfs/dbraw/zinc/23/54/99/315235499.db2.gz OFWJBSWPTQLZIP-IRXDYDNUSA-N 2 1 307.482 3.268 20 0 DGADMP COCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604482 315274243 /nfs/dbraw/zinc/27/42/43/315274243.db2.gz UJHBGVPOZUUUPD-GOEBONIOSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604482 315274247 /nfs/dbraw/zinc/27/42/47/315274247.db2.gz UJHBGVPOZUUUPD-GOEBONIOSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565604482 315274251 /nfs/dbraw/zinc/27/42/51/315274251.db2.gz UJHBGVPOZUUUPD-GOEBONIOSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000565604482 315274254 /nfs/dbraw/zinc/27/42/54/315274254.db2.gz UJHBGVPOZUUUPD-GOEBONIOSA-N 2 1 310.507 3.235 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@@H]3CCOC3)C2)s1 ZINC000565719317 315282710 /nfs/dbraw/zinc/28/27/10/315282710.db2.gz IHSKZAZRMASDEY-SJORKVTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@@H]3CCOC3)C2)s1 ZINC000565719317 315282713 /nfs/dbraw/zinc/28/27/13/315282713.db2.gz IHSKZAZRMASDEY-SJORKVTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@@H]3CCOC3)C2)s1 ZINC000565719317 315282718 /nfs/dbraw/zinc/28/27/18/315282718.db2.gz IHSKZAZRMASDEY-SJORKVTESA-N 2 1 322.518 3.237 20 0 DGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@@H+]1C1CC1 ZINC000565982411 315301937 /nfs/dbraw/zinc/30/19/37/315301937.db2.gz BOPKYBUJBSUEGH-AAEUAGOBSA-N 2 1 301.821 3.347 20 0 DGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)C[N@H+]1C1CC1 ZINC000565982411 315301939 /nfs/dbraw/zinc/30/19/39/315301939.db2.gz BOPKYBUJBSUEGH-AAEUAGOBSA-N 2 1 301.821 3.347 20 0 DGADMP [NH3+]C1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CCC1 ZINC000566092578 315311891 /nfs/dbraw/zinc/31/18/91/315311891.db2.gz YTAQSWVMOJPPKI-QGZVFWFLSA-N 2 1 315.848 3.490 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566111141 315313244 /nfs/dbraw/zinc/31/32/44/315313244.db2.gz YTWVZWHSYYNLKT-RLLQIKCJSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566111141 315313247 /nfs/dbraw/zinc/31/32/47/315313247.db2.gz YTWVZWHSYYNLKT-RLLQIKCJSA-N 2 1 318.505 3.426 20 0 DGADMP C([C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1)[NH+]1CCCCC1 ZINC000566690688 315367904 /nfs/dbraw/zinc/36/79/04/315367904.db2.gz GWUJUIHJCQXYPZ-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1sccc1Br ZINC000575114919 316034942 /nfs/dbraw/zinc/03/49/42/316034942.db2.gz KBCSQIAQASIROF-VHSXEESVSA-N 2 1 303.269 3.161 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576895584 316180040 /nfs/dbraw/zinc/18/00/40/316180040.db2.gz CECGPTKGDBADMJ-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000576895584 316180044 /nfs/dbraw/zinc/18/00/44/316180044.db2.gz CECGPTKGDBADMJ-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000576895584 316180049 /nfs/dbraw/zinc/18/00/49/316180049.db2.gz CECGPTKGDBADMJ-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576895584 316180053 /nfs/dbraw/zinc/18/00/53/316180053.db2.gz CECGPTKGDBADMJ-DLBZAZTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1cccc2c1CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000577048247 316195878 /nfs/dbraw/zinc/19/58/78/316195878.db2.gz MXSCHYMTMGRNMK-KSZLIROESA-N 2 1 300.446 3.289 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000577048247 316195879 /nfs/dbraw/zinc/19/58/79/316195879.db2.gz MXSCHYMTMGRNMK-KSZLIROESA-N 2 1 300.446 3.289 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000577348237 316226875 /nfs/dbraw/zinc/22/68/75/316226875.db2.gz NBNAGSJQVWNYED-UHFFFAOYSA-N 2 1 312.461 3.241 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000577348237 316226879 /nfs/dbraw/zinc/22/68/79/316226879.db2.gz NBNAGSJQVWNYED-UHFFFAOYSA-N 2 1 312.461 3.241 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000577739742 316266829 /nfs/dbraw/zinc/26/68/29/316266829.db2.gz IWGCOUIHAVVXJT-OLZOCXBDSA-N 2 1 314.376 3.046 20 0 DGADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000578433859 323732095 /nfs/dbraw/zinc/73/20/95/323732095.db2.gz MYEXSVSIJIKWED-HRCADAONSA-N 2 1 305.466 3.336 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCCCCC2)C1 ZINC000580593159 324016692 /nfs/dbraw/zinc/01/66/92/324016692.db2.gz FJXRWFWYIYOORE-IBGZPJMESA-N 2 1 302.462 3.066 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000581892047 324165412 /nfs/dbraw/zinc/16/54/12/324165412.db2.gz XYZAPTJFDAKVST-UHFFFAOYSA-N 2 1 316.424 3.068 20 0 DGADMP CCOc1ccccc1[C@H](CC)[NH2+]CCCc1c[nH+]cn1C ZINC000582428557 324228611 /nfs/dbraw/zinc/22/86/11/324228611.db2.gz SBOSOQDJDJJIEG-KRWDZBQOSA-N 2 1 301.434 3.492 20 0 DGADMP CCOc1ccccc1[C@@H](CC)[NH2+]CCCc1c[nH+]cn1C ZINC000582428558 324229215 /nfs/dbraw/zinc/22/92/15/324229215.db2.gz SBOSOQDJDJJIEG-QGZVFWFLSA-N 2 1 301.434 3.492 20 0 DGADMP CCOc1ccccc1C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582551347 324244559 /nfs/dbraw/zinc/24/45/59/324244559.db2.gz RVLNNHJKBTVRPY-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c2ccccn21 ZINC000582670659 324260601 /nfs/dbraw/zinc/26/06/01/324260601.db2.gz ICOPOLGNIKEAAV-HZPDHXFCSA-N 2 1 312.461 3.126 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c2ccccn21 ZINC000582670659 324260606 /nfs/dbraw/zinc/26/06/06/324260606.db2.gz ICOPOLGNIKEAAV-HZPDHXFCSA-N 2 1 312.461 3.126 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000583047894 324306950 /nfs/dbraw/zinc/30/69/50/324306950.db2.gz DIUUQIVMAXJYGX-AWEZNQCLSA-N 2 1 323.447 3.113 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000583047894 324306954 /nfs/dbraw/zinc/30/69/54/324306954.db2.gz DIUUQIVMAXJYGX-AWEZNQCLSA-N 2 1 323.447 3.113 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000583075519 324310072 /nfs/dbraw/zinc/31/00/72/324310072.db2.gz MOBRMUXTPOHZPV-RRFJBIMHSA-N 2 1 322.415 3.196 20 0 DGADMP CCc1[nH+]c2ccccc2c(N[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000583831284 324402576 /nfs/dbraw/zinc/40/25/76/324402576.db2.gz UIQMJIPESQASIZ-CQSZACIVSA-N 2 1 306.413 3.151 20 0 DGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000583945079 324419164 /nfs/dbraw/zinc/41/91/64/324419164.db2.gz GYHDROWYXOANAA-UWVGGRQHSA-N 2 1 308.294 3.343 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000584284240 332211067 /nfs/dbraw/zinc/21/10/67/332211067.db2.gz YHIHBOZBKMDQCX-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000584284240 332211068 /nfs/dbraw/zinc/21/10/68/332211068.db2.gz YHIHBOZBKMDQCX-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000584284240 332211069 /nfs/dbraw/zinc/21/10/69/332211069.db2.gz YHIHBOZBKMDQCX-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CSc1ccc2c(c1)[C@H]([NH2+]CCc1c[nH+]cn1C)CCC2 ZINC000584351160 336059062 /nfs/dbraw/zinc/05/90/62/336059062.db2.gz UYCKVJSQSONTRD-QGZVFWFLSA-N 2 1 301.459 3.352 20 0 DGADMP CCC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC[NH2+]CC1 ZINC000037539028 337365284 /nfs/dbraw/zinc/36/52/84/337365284.db2.gz BJOWKRJJIZWBAW-UHFFFAOYSA-N 2 1 310.825 3.033 20 0 DGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)sc1Br ZINC000415070720 533734206 /nfs/dbraw/zinc/73/42/06/533734206.db2.gz VJMOXLKDAGNXPP-GFCCVEGCSA-N 2 1 317.296 3.426 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000442920616 533777774 /nfs/dbraw/zinc/77/77/74/533777774.db2.gz HEAGLLFSEVMJSJ-LSDHHAIUSA-N 2 1 308.441 3.074 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000415066931 533788607 /nfs/dbraw/zinc/78/86/07/533788607.db2.gz OPOUDGHZFCVEFC-SUMWQHHRSA-N 2 1 308.441 3.120 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3cc(F)ccc3o2)CCCO1 ZINC000432360156 533940077 /nfs/dbraw/zinc/94/00/77/533940077.db2.gz VDROGRDLSHVNQA-AWEZNQCLSA-N 2 1 320.408 3.162 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3cc(F)ccc3o2)CCCO1 ZINC000432360156 533940086 /nfs/dbraw/zinc/94/00/86/533940086.db2.gz VDROGRDLSHVNQA-AWEZNQCLSA-N 2 1 320.408 3.162 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415013960 533951502 /nfs/dbraw/zinc/95/15/02/533951502.db2.gz ZAMJUKXLBLESST-VBSBHUPXSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415013960 533951508 /nfs/dbraw/zinc/95/15/08/533951508.db2.gz ZAMJUKXLBLESST-VBSBHUPXSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H](CCc1ccsc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414765 534001243 /nfs/dbraw/zinc/00/12/43/534001243.db2.gz LVKYMERTIZXQBR-CVEARBPZSA-N 2 1 310.507 3.160 20 0 DGADMP C[C@H](CCc1ccsc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414765 534001244 /nfs/dbraw/zinc/00/12/44/534001244.db2.gz LVKYMERTIZXQBR-CVEARBPZSA-N 2 1 310.507 3.160 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000415138965 534041004 /nfs/dbraw/zinc/04/10/04/534041004.db2.gz ZJQUMNFZPFXLDZ-OCCSQVGLSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000442758330 534081301 /nfs/dbraw/zinc/08/13/01/534081301.db2.gz AGFKQYJDZPRHQB-HOTGVXAUSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000430967112 534289104 /nfs/dbraw/zinc/28/91/04/534289104.db2.gz QUJWJTUPESGKHJ-CQSZACIVSA-N 2 1 315.486 3.293 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000165866827 534342675 /nfs/dbraw/zinc/34/26/75/534342675.db2.gz ZHZXSJFUJAZXGN-YJBOKZPZSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000165866827 534342678 /nfs/dbraw/zinc/34/26/78/534342678.db2.gz ZHZXSJFUJAZXGN-YJBOKZPZSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000165866827 534342682 /nfs/dbraw/zinc/34/26/82/534342682.db2.gz ZHZXSJFUJAZXGN-YJBOKZPZSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000165866827 534342688 /nfs/dbraw/zinc/34/26/88/534342688.db2.gz ZHZXSJFUJAZXGN-YJBOKZPZSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309685908 534418469 /nfs/dbraw/zinc/41/84/69/534418469.db2.gz ASUIVKZYIQTINJ-HKUYNNGSSA-N 2 1 309.457 3.390 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000428868563 534419731 /nfs/dbraw/zinc/41/97/31/534419731.db2.gz XANJCVBSOAVPPV-MNOVXSKESA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000428868563 534419736 /nfs/dbraw/zinc/41/97/36/534419736.db2.gz XANJCVBSOAVPPV-MNOVXSKESA-N 2 1 304.381 3.483 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C1CCOCC1 ZINC000154885634 519630742 /nfs/dbraw/zinc/63/07/42/519630742.db2.gz AFPNREZKMPKISE-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000157169754 520630590 /nfs/dbraw/zinc/63/05/90/520630590.db2.gz RVMQJPVBRARJKG-SFHVURJKSA-N 2 1 324.509 3.164 20 0 DGADMP [NH3+]C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000430636817 534567264 /nfs/dbraw/zinc/56/72/64/534567264.db2.gz JYSLSPXORAUKMP-UHFFFAOYSA-N 2 1 310.441 3.216 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000442920734 534653393 /nfs/dbraw/zinc/65/33/93/534653393.db2.gz HLUXUJBNVVJUSI-GFCCVEGCSA-N 2 1 307.488 3.432 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157471903 523809818 /nfs/dbraw/zinc/80/98/18/523809818.db2.gz OBFHIPDQTDJPHG-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157471903 523809824 /nfs/dbraw/zinc/80/98/24/523809824.db2.gz OBFHIPDQTDJPHG-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000415080721 527059598 /nfs/dbraw/zinc/05/95/98/527059598.db2.gz JNISAAKDBYBNBA-PBHICJAKSA-N 2 1 303.450 3.045 20 0 DGADMP CC(C)(C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCCC1 ZINC000442649201 527180409 /nfs/dbraw/zinc/18/04/09/527180409.db2.gz NTPKGEXIQXMTBP-OAHLLOKOSA-N 2 1 311.473 3.489 20 0 DGADMP CC(C)CCOCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679996 527747956 /nfs/dbraw/zinc/74/79/56/527747956.db2.gz HDEAEGWELSDHAG-UHFFFAOYSA-N 2 1 319.493 3.462 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)[C@H](C)C1 ZINC000429428346 527803033 /nfs/dbraw/zinc/80/30/33/527803033.db2.gz RBIUPZIMIQDWFQ-JKIFEVAISA-N 2 1 310.869 3.427 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000429660411 528001764 /nfs/dbraw/zinc/00/17/64/528001764.db2.gz UPNRFTOKWQYWKA-UHFFFAOYSA-N 2 1 319.493 3.166 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428204318 528148961 /nfs/dbraw/zinc/14/89/61/528148961.db2.gz FODUGUZNKQVBDB-INIZCTEOSA-N 2 1 323.481 3.039 20 0 DGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OC(F)F ZINC000415051922 528284626 /nfs/dbraw/zinc/28/46/26/528284626.db2.gz JYBFSHHHWSJNDW-CQSZACIVSA-N 2 1 316.392 3.150 20 0 DGADMP CC[N@@H+](CCCOCCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627800 528470983 /nfs/dbraw/zinc/47/09/83/528470983.db2.gz OPWFPGNPDPXZAT-LJQANCHMSA-N 2 1 304.478 3.100 20 0 DGADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415080351 528646481 /nfs/dbraw/zinc/64/64/81/528646481.db2.gz JKOXRSHJQLUOIH-QZTJIDSGSA-N 2 1 304.478 3.258 20 0 DGADMP CCCCOc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OC ZINC000415052914 528655136 /nfs/dbraw/zinc/65/51/36/528655136.db2.gz LZLPWFPMICFKDQ-QGZVFWFLSA-N 2 1 308.466 3.337 20 0 DGADMP CCCOc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297636827 528750785 /nfs/dbraw/zinc/75/07/85/528750785.db2.gz MIEJVIOPIKBYIE-UHFFFAOYSA-N 2 1 302.462 3.234 20 0 DGADMP CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435382184 528767152 /nfs/dbraw/zinc/76/71/52/528767152.db2.gz CAIMFFIPKVBCDL-AWEZNQCLSA-N 2 1 324.852 3.075 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435391208 528770081 /nfs/dbraw/zinc/77/00/81/528770081.db2.gz RURITGOZCKFNDN-LLVKDONJSA-N 2 1 317.296 3.475 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000324304553 528832737 /nfs/dbraw/zinc/83/27/37/528832737.db2.gz VDIZXBMBXXPILC-SFHVURJKSA-N 2 1 317.521 3.012 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](COCc2ccccc2)C(C)C)CC1 ZINC000446759608 528988037 /nfs/dbraw/zinc/98/80/37/528988037.db2.gz PKBBXFRKHBACIU-IBGZPJMESA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000449080510 535019562 /nfs/dbraw/zinc/01/95/62/535019562.db2.gz WSVYKRLEKSBMEJ-MSOLQXFVSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459517194 535032856 /nfs/dbraw/zinc/03/28/56/535032856.db2.gz QSFDCTGZFJDYOJ-UHFFFAOYSA-N 2 1 301.478 3.248 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000472295933 535549690 /nfs/dbraw/zinc/54/96/90/535549690.db2.gz SBBZBQOQHSSWNT-UYAOXDASSA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000472262534 535551126 /nfs/dbraw/zinc/55/11/26/535551126.db2.gz QWLPVHNHVIEQAS-AZUAARDMSA-N 2 1 316.489 3.497 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453132524 535977708 /nfs/dbraw/zinc/97/77/08/535977708.db2.gz DRMPKNYICRWVKA-VNTMZGSJSA-N 2 1 316.489 3.180 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000470015044 536122165 /nfs/dbraw/zinc/12/21/65/536122165.db2.gz JQNUIOPJCIXVGP-HOTGVXAUSA-N 2 1 321.484 3.349 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000470015044 536122172 /nfs/dbraw/zinc/12/21/72/536122172.db2.gz JQNUIOPJCIXVGP-HOTGVXAUSA-N 2 1 321.484 3.349 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000470258240 536521582 /nfs/dbraw/zinc/52/15/82/536521582.db2.gz GEPUANCHMAGKRL-OFQRWUPVSA-N 2 1 308.441 3.085 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090577587 545830239 /nfs/dbraw/zinc/83/02/39/545830239.db2.gz WPDWVDHWFPJFGZ-ZWKOTPCHSA-N 2 1 302.462 3.234 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121246376 545894271 /nfs/dbraw/zinc/89/42/71/545894271.db2.gz RVAHHRQPTGOCQC-GOSISDBHSA-N 2 1 324.415 3.043 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000134173819 545971400 /nfs/dbraw/zinc/97/14/00/545971400.db2.gz KTQRSBAQNWJEBW-UHFFFAOYSA-N 2 1 318.509 3.092 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccccn1 ZINC000153586980 546010862 /nfs/dbraw/zinc/01/08/62/546010862.db2.gz UETRECMAJJFNPS-IAGOWNOFSA-N 2 1 309.457 3.328 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159251233 546052282 /nfs/dbraw/zinc/05/22/82/546052282.db2.gz QYVCMJBHEVVJRN-FXAWDEMLSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCN1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000159251233 546052285 /nfs/dbraw/zinc/05/22/85/546052285.db2.gz QYVCMJBHEVVJRN-FXAWDEMLSA-N 2 1 321.553 3.351 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(N3CCCCC3)c2)CC1 ZINC000162381027 546078582 /nfs/dbraw/zinc/07/85/82/546078582.db2.gz CZZHKULKAWBFIF-UHFFFAOYSA-N 2 1 316.493 3.036 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000164661436 546089116 /nfs/dbraw/zinc/08/91/16/546089116.db2.gz NAPMBQPPAGDVSN-JLCFBVMHSA-N 2 1 319.474 3.060 20 0 DGADMP C[NH+](CCCCC[N@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000179518458 546136727 /nfs/dbraw/zinc/13/67/27/546136727.db2.gz RGLSMTZZSKAMPC-UHFFFAOYSA-N 2 1 312.461 3.211 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000180697223 546147375 /nfs/dbraw/zinc/14/73/75/546147375.db2.gz WRXSPYBKSGETJY-LSDHHAIUSA-N 2 1 300.450 3.279 20 0 DGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000180697223 546147379 /nfs/dbraw/zinc/14/73/79/546147379.db2.gz WRXSPYBKSGETJY-LSDHHAIUSA-N 2 1 300.450 3.279 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000220774500 546265811 /nfs/dbraw/zinc/26/58/11/546265811.db2.gz NIZGFLMRVBECKH-GFCCVEGCSA-N 2 1 302.340 3.146 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000228282883 546269636 /nfs/dbraw/zinc/26/96/36/546269636.db2.gz HYHHYCZKLHXHLK-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000228282883 546269640 /nfs/dbraw/zinc/26/96/40/546269640.db2.gz HYHHYCZKLHXHLK-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000228282892 546270152 /nfs/dbraw/zinc/27/01/52/546270152.db2.gz HYHHYCZKLHXHLK-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000228282892 546270156 /nfs/dbraw/zinc/27/01/56/546270156.db2.gz HYHHYCZKLHXHLK-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000229033333 546271223 /nfs/dbraw/zinc/27/12/23/546271223.db2.gz ZVABCZVFADTKEE-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000229033333 546271225 /nfs/dbraw/zinc/27/12/25/546271225.db2.gz ZVABCZVFADTKEE-GXTWGEPZSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3ccc(F)cc32)C[C@H](C)O1 ZINC000247003242 546307879 /nfs/dbraw/zinc/30/78/79/546307879.db2.gz LRPJXVYAJHVVGK-KHYOSLBOSA-N 2 1 320.452 3.292 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)CCO2 ZINC000247040924 546308174 /nfs/dbraw/zinc/30/81/74/546308174.db2.gz LTDJXMMTLALJJN-BMGDILEWSA-N 2 1 318.461 3.229 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)CCO2 ZINC000247040924 546308176 /nfs/dbraw/zinc/30/81/76/546308176.db2.gz LTDJXMMTLALJJN-BMGDILEWSA-N 2 1 318.461 3.229 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CC2 ZINC000280020340 546378822 /nfs/dbraw/zinc/37/88/22/546378822.db2.gz HKGQBOFWDZPONB-MRXNPFEDSA-N 2 1 306.450 3.011 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CC2 ZINC000280020340 546378823 /nfs/dbraw/zinc/37/88/23/546378823.db2.gz HKGQBOFWDZPONB-MRXNPFEDSA-N 2 1 306.450 3.011 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280293863 546382068 /nfs/dbraw/zinc/38/20/68/546382068.db2.gz ZKCDGTFSGNMZKO-YOEHRIQHSA-N 2 1 318.461 3.013 20 0 DGADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1nc2c(s1)CCCC2 ZINC000339068616 546532683 /nfs/dbraw/zinc/53/26/83/546532683.db2.gz LHTWHQYMEQSCJV-CABCVRRESA-N 2 1 319.518 3.171 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396932933 546762555 /nfs/dbraw/zinc/76/25/55/546762555.db2.gz YBFLBRWBXQQURO-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000409447416 546769406 /nfs/dbraw/zinc/76/94/06/546769406.db2.gz LZNJJEBDTMGKIC-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000409447416 546769412 /nfs/dbraw/zinc/76/94/12/546769412.db2.gz LZNJJEBDTMGKIC-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000409447416 546769417 /nfs/dbraw/zinc/76/94/17/546769417.db2.gz LZNJJEBDTMGKIC-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414138669 546780518 /nfs/dbraw/zinc/78/05/18/546780518.db2.gz HOBHJKNQUUYJBU-AKHDSKFASA-N 2 1 302.462 3.368 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414138669 546780522 /nfs/dbraw/zinc/78/05/22/546780522.db2.gz HOBHJKNQUUYJBU-AKHDSKFASA-N 2 1 302.462 3.368 20 0 DGADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000414183961 546781387 /nfs/dbraw/zinc/78/13/87/546781387.db2.gz NNYNBEFJCGDKET-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000414183961 546781391 /nfs/dbraw/zinc/78/13/91/546781391.db2.gz NNYNBEFJCGDKET-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC000414183961 546781395 /nfs/dbraw/zinc/78/13/95/546781395.db2.gz NNYNBEFJCGDKET-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414183961 546781400 /nfs/dbraw/zinc/78/14/00/546781400.db2.gz NNYNBEFJCGDKET-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000414183961 546781405 /nfs/dbraw/zinc/78/14/05/546781405.db2.gz NNYNBEFJCGDKET-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929050 546789851 /nfs/dbraw/zinc/78/98/51/546789851.db2.gz RDRZDFRDJLUSFU-MSOLQXFVSA-N 2 1 303.494 3.004 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929050 546789855 /nfs/dbraw/zinc/78/98/55/546789855.db2.gz RDRZDFRDJLUSFU-MSOLQXFVSA-N 3 1 303.494 3.004 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929050 546789860 /nfs/dbraw/zinc/78/98/60/546789860.db2.gz RDRZDFRDJLUSFU-MSOLQXFVSA-N 3 1 303.494 3.004 20 0 DGADMP Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414931305 546790522 /nfs/dbraw/zinc/79/05/22/546790522.db2.gz ULPCRLMUGVFJMH-GJZGRUSLSA-N 2 1 301.459 3.478 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)CC(C)C ZINC000417326226 546799333 /nfs/dbraw/zinc/79/93/33/546799333.db2.gz ASTNZYIVJAZAJS-QYZOEREBSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)CC(C)C ZINC000417326226 546799341 /nfs/dbraw/zinc/79/93/41/546799341.db2.gz ASTNZYIVJAZAJS-QYZOEREBSA-N 2 1 304.478 3.473 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@@H]1c1ccccc1 ZINC000453377490 546859965 /nfs/dbraw/zinc/85/99/65/546859965.db2.gz XRAWBBCROWHSCR-IAGOWNOFSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[C@@H]1c1ccccc1 ZINC000453377490 546859966 /nfs/dbraw/zinc/85/99/66/546859966.db2.gz XRAWBBCROWHSCR-IAGOWNOFSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459372462 546890987 /nfs/dbraw/zinc/89/09/87/546890987.db2.gz JBBQWLAZXGIWTI-OAHLLOKOSA-N 2 1 302.466 3.098 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513366178 546951532 /nfs/dbraw/zinc/95/15/32/546951532.db2.gz PBNVPHJZNDMJQS-DNVCBOLYSA-N 2 1 304.478 3.336 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681830 547273484 /nfs/dbraw/zinc/27/34/84/547273484.db2.gz SLKHZGAZHNOJOH-HNNXBMFYSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681830 547273489 /nfs/dbraw/zinc/27/34/89/547273489.db2.gz SLKHZGAZHNOJOH-HNNXBMFYSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667681830 547273492 /nfs/dbraw/zinc/27/34/92/547273492.db2.gz SLKHZGAZHNOJOH-HNNXBMFYSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667681830 547273499 /nfs/dbraw/zinc/27/34/99/547273499.db2.gz SLKHZGAZHNOJOH-HNNXBMFYSA-N 2 1 315.486 3.460 20 0 DGADMP Cc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000667688271 547274803 /nfs/dbraw/zinc/27/48/03/547274803.db2.gz LJCRCIWQCPDWSQ-INIZCTEOSA-N 3 1 318.509 3.205 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000667706231 547283343 /nfs/dbraw/zinc/28/33/43/547283343.db2.gz UYIDKIZNFJFLFF-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000667706231 547283347 /nfs/dbraw/zinc/28/33/47/547283347.db2.gz UYIDKIZNFJFLFF-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000667706231 547283351 /nfs/dbraw/zinc/28/33/51/547283351.db2.gz UYIDKIZNFJFLFF-HKUYNNGSSA-N 2 1 302.462 3.310 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801540 547305899 /nfs/dbraw/zinc/30/58/99/547305899.db2.gz LWSDCLJITLZZRQ-XCLNPWKQSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801540 547305903 /nfs/dbraw/zinc/30/59/03/547305903.db2.gz LWSDCLJITLZZRQ-XCLNPWKQSA-N 2 1 314.473 3.186 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)N(C)Cc1c[nH+]c(C)n1C ZINC000668080685 547376860 /nfs/dbraw/zinc/37/68/60/547376860.db2.gz JCEKICNSUDYGME-MRXNPFEDSA-N 2 1 307.825 3.201 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccncc3s2)C1 ZINC000668172347 547402633 /nfs/dbraw/zinc/40/26/33/547402633.db2.gz LSZQIDVGQIHSDF-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172347 547402639 /nfs/dbraw/zinc/40/26/39/547402639.db2.gz LSZQIDVGQIHSDF-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172347 547402643 /nfs/dbraw/zinc/40/26/43/547402643.db2.gz LSZQIDVGQIHSDF-HOCLYGCPSA-N 2 1 301.459 3.212 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000668489005 547466753 /nfs/dbraw/zinc/46/67/53/547466753.db2.gz IYCOCFBLTKNEPA-UWJYYQICSA-N 2 1 324.468 3.147 20 0 DGADMP CCCC1CCC(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668738423 547526421 /nfs/dbraw/zinc/52/64/21/547526421.db2.gz CLGQUWRTIGAXNE-TVPLGVNVSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000668819375 547549551 /nfs/dbraw/zinc/54/95/51/547549551.db2.gz OLKYPKXBZQZBBC-IBGZPJMESA-N 2 1 301.478 3.034 20 0 DGADMP C[C@@H](CCCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000669851623 547694528 /nfs/dbraw/zinc/69/45/28/547694528.db2.gz KPJHKDCZZHZZNN-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000669851623 547694531 /nfs/dbraw/zinc/69/45/31/547694531.db2.gz KPJHKDCZZHZZNN-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1Oc1ccccc1 ZINC000671294811 547784752 /nfs/dbraw/zinc/78/47/52/547784752.db2.gz FLNPLHTWBXGXQM-UKBAYJJMSA-N 2 1 314.473 3.449 20 0 DGADMP CCOC1CC(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671686260 547809586 /nfs/dbraw/zinc/80/95/86/547809586.db2.gz FVCBRZHKIIHFQO-OXHPOLQJSA-N 2 1 316.489 3.302 20 0 DGADMP COc1cccc(OC)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000671706744 547812302 /nfs/dbraw/zinc/81/23/02/547812302.db2.gz SCESKSOPEDXAEY-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000671760253 547828586 /nfs/dbraw/zinc/82/85/86/547828586.db2.gz NGBVHOJENSJVMJ-MTFMMBMASA-N 2 1 314.473 3.015 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000674070424 548029574 /nfs/dbraw/zinc/02/95/74/548029574.db2.gz OUIDPFGTKVKZEQ-KRWDZBQOSA-N 2 1 309.457 3.439 20 0 DGADMP C[C@@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000674266339 548055995 /nfs/dbraw/zinc/05/59/95/548055995.db2.gz PWSZFSKTFOMBEB-HNNXBMFYSA-N 2 1 317.477 3.340 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000675497844 548226078 /nfs/dbraw/zinc/22/60/78/548226078.db2.gz QMVLZKRDZAGOJV-RBUKOAKNSA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000675497844 548226081 /nfs/dbraw/zinc/22/60/81/548226081.db2.gz QMVLZKRDZAGOJV-RBUKOAKNSA-N 2 1 312.461 3.088 20 0 DGADMP Cc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000675641508 548243877 /nfs/dbraw/zinc/24/38/77/548243877.db2.gz JVQBRXHHEHQUGL-CABCVRRESA-N 2 1 320.481 3.416 20 0 DGADMP Cc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000675641508 548243881 /nfs/dbraw/zinc/24/38/81/548243881.db2.gz JVQBRXHHEHQUGL-CABCVRRESA-N 2 1 320.481 3.416 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934079 548294535 /nfs/dbraw/zinc/29/45/35/548294535.db2.gz HOOWNPQGTCMDDM-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934079 548294537 /nfs/dbraw/zinc/29/45/37/548294537.db2.gz HOOWNPQGTCMDDM-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000675935700 548295023 /nfs/dbraw/zinc/29/50/23/548295023.db2.gz NGRFVYBFVFDNPI-PKOBYXMFSA-N 2 1 316.489 3.098 20 0 DGADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000677241696 548473769 /nfs/dbraw/zinc/47/37/69/548473769.db2.gz UAFRPXSUPXURTC-HSALFYBXSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000677241696 548473773 /nfs/dbraw/zinc/47/37/73/548473773.db2.gz UAFRPXSUPXURTC-HSALFYBXSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000677241696 548473777 /nfs/dbraw/zinc/47/37/77/548473777.db2.gz UAFRPXSUPXURTC-HSALFYBXSA-N 2 1 319.537 3.248 20 0 DGADMP c1ccc2c(c1)cccc2OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677238171 548474153 /nfs/dbraw/zinc/47/41/53/548474153.db2.gz WHRWZKGCGRHNRC-QZTJIDSGSA-N 2 1 310.441 3.435 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1F ZINC000677242374 548474930 /nfs/dbraw/zinc/47/49/30/548474930.db2.gz ZLSFJJKHIVWWQF-OWCLPIDISA-N 2 1 306.425 3.200 20 0 DGADMP CC1(C)C[C@@H](NCC[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000677804454 548557933 /nfs/dbraw/zinc/55/79/33/548557933.db2.gz GMKZYYTULVZILX-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP CC1(C)C[C@@H](NCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000677804454 548557938 /nfs/dbraw/zinc/55/79/38/548557938.db2.gz GMKZYYTULVZILX-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP COc1cccc(C[N@H+](CCn2cc[nH+]c2C)CC(C)C)c1 ZINC000677981288 548588191 /nfs/dbraw/zinc/58/81/91/548588191.db2.gz AOEZAUUZOCEEHO-UHFFFAOYSA-N 2 1 301.434 3.358 20 0 DGADMP COc1cccc(C[N@@H+](CCn2cc[nH+]c2C)CC(C)C)c1 ZINC000677981288 548588192 /nfs/dbraw/zinc/58/81/92/548588192.db2.gz AOEZAUUZOCEEHO-UHFFFAOYSA-N 2 1 301.434 3.358 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678282411 548669044 /nfs/dbraw/zinc/66/90/44/548669044.db2.gz RHKBZLRCUCRSNY-UHFFFAOYSA-N 2 1 318.440 3.027 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343069 548684572 /nfs/dbraw/zinc/68/45/72/548684572.db2.gz MPHCLCGXMBXIGI-OALUTQOASA-N 2 1 308.425 3.013 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000678728796 548753755 /nfs/dbraw/zinc/75/37/55/548753755.db2.gz MRJUHKHGOPLFRF-CYBMUJFWSA-N 2 1 318.490 3.093 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000678728796 548753759 /nfs/dbraw/zinc/75/37/59/548753759.db2.gz MRJUHKHGOPLFRF-CYBMUJFWSA-N 2 1 318.490 3.093 20 0 DGADMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000678770012 548760357 /nfs/dbraw/zinc/76/03/57/548760357.db2.gz CMKLQLDYNLYSNZ-MAUKXSAKSA-N 2 1 302.462 3.010 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@H](OC)c2ccccc2Cl)CC1 ZINC000678772389 548761517 /nfs/dbraw/zinc/76/15/17/548761517.db2.gz MGEOGGSIZIXXEK-KRWDZBQOSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@H]1C[C@@H](Nc2ccc(CC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000679140534 548837845 /nfs/dbraw/zinc/83/78/45/548837845.db2.gz ZJSFWCHTQSPBAI-LPHOPBHVSA-N 2 1 301.478 3.220 20 0 DGADMP C[C@H](CCCCO)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000679357061 548884737 /nfs/dbraw/zinc/88/47/37/548884737.db2.gz UXUBRPRGLUBDMC-GGPKGHCWSA-N 2 1 318.505 3.428 20 0 DGADMP Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000679394075 548892589 /nfs/dbraw/zinc/89/25/89/548892589.db2.gz IYDOWURNVOXMGW-LJQANCHMSA-N 2 1 310.441 3.046 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000679396995 548893298 /nfs/dbraw/zinc/89/32/98/548893298.db2.gz XSHLCRJCTBNZKO-SFHVURJKSA-N 2 1 302.462 3.336 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000679396995 548893301 /nfs/dbraw/zinc/89/33/01/548893301.db2.gz XSHLCRJCTBNZKO-SFHVURJKSA-N 2 1 302.462 3.336 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCCSCC1 ZINC000679629012 548926273 /nfs/dbraw/zinc/92/62/73/548926273.db2.gz NQVIJFHNLZRDQO-UHFFFAOYSA-N 2 1 320.502 3.100 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680036968 548983730 /nfs/dbraw/zinc/98/37/30/548983730.db2.gz CDWHASYWPZGKKL-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401007 549048132 /nfs/dbraw/zinc/04/81/32/549048132.db2.gz AIIQPIJPMQJPMI-AEFFLSMTSA-N 2 1 315.505 3.495 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000682029270 549277636 /nfs/dbraw/zinc/27/76/36/549277636.db2.gz OLRKRTDSSBEEMI-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CCCC[C@H](CC)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682154567 549297868 /nfs/dbraw/zinc/29/78/68/549297868.db2.gz HHSWAELCYBYUKA-RBUKOAKNSA-N 2 1 309.542 3.305 20 0 DGADMP C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000682380492 549312138 /nfs/dbraw/zinc/31/21/38/549312138.db2.gz MNLYBUITPDWFBP-QGGMXYOTSA-N 2 1 318.465 3.344 20 0 DGADMP CC[C@@H](Cc1cccs1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000683345471 549471810 /nfs/dbraw/zinc/47/18/10/549471810.db2.gz CPWFMISMXYIFLD-CVEARBPZSA-N 2 1 310.507 3.160 20 0 DGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000683818925 549541454 /nfs/dbraw/zinc/54/14/54/549541454.db2.gz LKAZTHPEGSRXJN-BYUNMRKYSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000683818925 549541459 /nfs/dbraw/zinc/54/14/59/549541459.db2.gz LKAZTHPEGSRXJN-BYUNMRKYSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000684377241 549622746 /nfs/dbraw/zinc/62/27/46/549622746.db2.gz SDZOWRNNNBCMQT-VAMGGRTRSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684953137 549724088 /nfs/dbraw/zinc/72/40/88/549724088.db2.gz JDRPBPPBICVNEY-JZXOWHBKSA-N 2 1 301.478 3.417 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684953137 549724091 /nfs/dbraw/zinc/72/40/91/549724091.db2.gz JDRPBPPBICVNEY-JZXOWHBKSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455715 549762589 /nfs/dbraw/zinc/76/25/89/549762589.db2.gz TUIQCUYAZYSHSH-GGPKGHCWSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455715 549762590 /nfs/dbraw/zinc/76/25/90/549762590.db2.gz TUIQCUYAZYSHSH-GGPKGHCWSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000685455715 549762594 /nfs/dbraw/zinc/76/25/94/549762594.db2.gz TUIQCUYAZYSHSH-GGPKGHCWSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000685470878 549767736 /nfs/dbraw/zinc/76/77/36/549767736.db2.gz ZKBARJNOZRNGIM-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000685470878 549767739 /nfs/dbraw/zinc/76/77/39/549767739.db2.gz ZKBARJNOZRNGIM-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000685470878 549767740 /nfs/dbraw/zinc/76/77/40/549767740.db2.gz ZKBARJNOZRNGIM-IEBWSBKVSA-N 2 1 302.462 3.390 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000685664688 549787362 /nfs/dbraw/zinc/78/73/62/549787362.db2.gz CKBLHGNQACINRQ-UAFMIMERSA-N 2 1 316.489 3.302 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000738221030 574861987 /nfs/dbraw/zinc/86/19/87/574861987.db2.gz BGEZTWOSKBMCIT-AWEZNQCLSA-N 2 1 301.459 3.212 20 0 DGADMP C[N@@H+](CCCOc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000738312396 574865679 /nfs/dbraw/zinc/86/56/79/574865679.db2.gz SYKCQEIDJHXNDA-UHFFFAOYSA-N 2 1 310.869 3.383 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000740423862 574933524 /nfs/dbraw/zinc/93/35/24/574933524.db2.gz WKTCTOPPGIEFOL-FUHWJXTLSA-N 2 1 320.477 3.216 20 0 DGADMP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000740423862 574933526 /nfs/dbraw/zinc/93/35/26/574933526.db2.gz WKTCTOPPGIEFOL-FUHWJXTLSA-N 2 1 320.477 3.216 20 0 DGADMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375748 574994086 /nfs/dbraw/zinc/99/40/86/574994086.db2.gz VVFSBNQCMQCIDR-YGRLFVJLSA-N 2 1 318.490 3.189 20 0 DGADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375748 574994087 /nfs/dbraw/zinc/99/40/87/574994087.db2.gz VVFSBNQCMQCIDR-YGRLFVJLSA-N 2 1 318.490 3.189 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000742375927 574994168 /nfs/dbraw/zinc/99/41/68/574994168.db2.gz YCWGYDBDOPZGAW-DZGCQCFKSA-N 2 1 312.404 3.477 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000743851029 575065197 /nfs/dbraw/zinc/06/51/97/575065197.db2.gz IAOTYZWKWLWYLX-PMACEKPBSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000743851029 575065198 /nfs/dbraw/zinc/06/51/98/575065198.db2.gz IAOTYZWKWLWYLX-PMACEKPBSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000746494494 575455364 /nfs/dbraw/zinc/45/53/64/575455364.db2.gz IIWYCRMZCTWIOH-AZUAARDMSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000746494494 575455368 /nfs/dbraw/zinc/45/53/68/575455368.db2.gz IIWYCRMZCTWIOH-AZUAARDMSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494494 575455370 /nfs/dbraw/zinc/45/53/70/575455370.db2.gz IIWYCRMZCTWIOH-AZUAARDMSA-N 2 1 316.489 3.001 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000746494494 575455374 /nfs/dbraw/zinc/45/53/74/575455374.db2.gz IIWYCRMZCTWIOH-AZUAARDMSA-N 2 1 316.489 3.001 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1C(C)(C)C1(C)C ZINC000746601037 575463768 /nfs/dbraw/zinc/46/37/68/575463768.db2.gz UOXXFFLOXATIID-GDBMZVCRSA-N 2 1 308.510 3.290 20 0 DGADMP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](CC)c1ccccc1 ZINC000746653233 575466377 /nfs/dbraw/zinc/46/63/77/575466377.db2.gz SBFAGTUGIAPOLN-MOPGFXCFSA-N 2 1 304.478 3.306 20 0 DGADMP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](CC)c1ccccc1 ZINC000746653233 575466380 /nfs/dbraw/zinc/46/63/80/575466380.db2.gz SBFAGTUGIAPOLN-MOPGFXCFSA-N 2 1 304.478 3.306 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749514820 575662203 /nfs/dbraw/zinc/66/22/03/575662203.db2.gz MHQWXBSZCLQOSL-PXNSSMCTSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749514820 575662205 /nfs/dbraw/zinc/66/22/05/575662205.db2.gz MHQWXBSZCLQOSL-PXNSSMCTSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749514820 575662207 /nfs/dbraw/zinc/66/22/07/575662207.db2.gz MHQWXBSZCLQOSL-PXNSSMCTSA-N 2 1 314.473 3.323 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000750796419 575752294 /nfs/dbraw/zinc/75/22/94/575752294.db2.gz PZIPPXNRWUCULA-UHFFFAOYSA-N 2 1 301.887 3.350 20 0 DGADMP CCc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393876631 575935358 /nfs/dbraw/zinc/93/53/58/575935358.db2.gz GQEDMFWQNCQJKO-SFHVURJKSA-N 2 1 324.472 3.093 20 0 DGADMP CCc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393876631 575935360 /nfs/dbraw/zinc/93/53/60/575935360.db2.gz GQEDMFWQNCQJKO-SFHVURJKSA-N 2 1 324.472 3.093 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398218179 575961701 /nfs/dbraw/zinc/96/17/01/575961701.db2.gz VKRIWAQUDOOLSW-MDNKFWRPSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398218179 575961704 /nfs/dbraw/zinc/96/17/04/575961704.db2.gz VKRIWAQUDOOLSW-MDNKFWRPSA-N 2 1 316.489 3.444 20 0 DGADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000852746209 620645151 /nfs/dbraw/zinc/64/51/51/620645151.db2.gz GLSNMRKOPPUDRM-UHFFFAOYSA-N 2 1 314.351 3.003 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762670 620646691 /nfs/dbraw/zinc/64/66/91/620646691.db2.gz SUSFCJDRWFPOFJ-AEFFLSMTSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762670 620646692 /nfs/dbraw/zinc/64/66/92/620646692.db2.gz SUSFCJDRWFPOFJ-AEFFLSMTSA-N 2 1 322.880 3.370 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCCCCC[NH3+] ZINC000852760275 620646695 /nfs/dbraw/zinc/64/66/95/620646695.db2.gz XYCHSNYJJVBTSR-QGZVFWFLSA-N 2 1 308.441 3.497 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762672 620646699 /nfs/dbraw/zinc/64/66/99/620646699.db2.gz SUSFCJDRWFPOFJ-SJLPKXTDSA-N 2 1 322.880 3.370 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000852762672 620646700 /nfs/dbraw/zinc/64/67/00/620646700.db2.gz SUSFCJDRWFPOFJ-SJLPKXTDSA-N 2 1 322.880 3.370 20 0 DGADMP c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093667 620668217 /nfs/dbraw/zinc/66/82/17/620668217.db2.gz PVCWOXWZZAKDKT-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CCCC1 ZINC000806160505 617619621 /nfs/dbraw/zinc/61/96/21/617619621.db2.gz SOPFVQRKNDTXNK-AWEZNQCLSA-N 2 1 307.869 3.434 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806136926 617740712 /nfs/dbraw/zinc/74/07/12/617740712.db2.gz DPDUFJXKIGHQLN-RISCZKNCSA-N 2 1 304.825 3.153 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000892225100 617988951 /nfs/dbraw/zinc/98/89/51/617988951.db2.gz MCJNDJLXCJAJLX-RBUKOAKNSA-N 2 1 320.452 3.055 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752593 618109648 /nfs/dbraw/zinc/10/96/48/618109648.db2.gz BDOCYCDCDKDEQW-WMZOPIPTSA-N 3 1 303.494 3.131 20 0 DGADMP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752593 618109650 /nfs/dbraw/zinc/10/96/50/618109650.db2.gz BDOCYCDCDKDEQW-WMZOPIPTSA-N 2 1 303.494 3.131 20 0 DGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926752593 618109653 /nfs/dbraw/zinc/10/96/53/618109653.db2.gz BDOCYCDCDKDEQW-WMZOPIPTSA-N 2 1 303.494 3.131 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cn(C)cn2)cc1 ZINC000924586953 618132872 /nfs/dbraw/zinc/13/28/72/618132872.db2.gz XVEJFJBSOZYWSJ-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000854222573 620785877 /nfs/dbraw/zinc/78/58/77/620785877.db2.gz IWNOHCBYXMAIIA-FYQPLNBISA-N 2 1 314.473 3.309 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H](c2ccsc2)N(C)C)CC1 ZINC000924604505 618310121 /nfs/dbraw/zinc/31/01/21/618310121.db2.gz ULFQPYBCBNPCFZ-GOSISDBHSA-N 2 1 323.550 3.451 20 0 DGADMP CCc1c[nH]c2ncnc(NC[C@@H]3CC[N@H+](C(C)(C)C)C3)c12 ZINC000894475881 618348504 /nfs/dbraw/zinc/34/85/04/618348504.db2.gz IRTAYOHBMGGBSP-LBPRGKRZSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CC[N@@H+](C(C)(C)C)C3)c12 ZINC000894475881 618348511 /nfs/dbraw/zinc/34/85/11/618348511.db2.gz IRTAYOHBMGGBSP-LBPRGKRZSA-N 2 1 301.438 3.004 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CC[N@H+](C(C)(C)C)C3)c12 ZINC000894475881 618348515 /nfs/dbraw/zinc/34/85/15/618348515.db2.gz IRTAYOHBMGGBSP-LBPRGKRZSA-N 2 1 301.438 3.004 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000925080142 618466664 /nfs/dbraw/zinc/46/66/64/618466664.db2.gz RAHAKUYMUFYOJT-FPXQBCRKSA-N 2 1 302.462 3.225 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[NH+](C)C ZINC000775363393 618498072 /nfs/dbraw/zinc/49/80/72/618498072.db2.gz KELQQKDBEUZTDW-UGUYLWEFSA-N 2 1 316.580 3.322 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925599844 618504571 /nfs/dbraw/zinc/50/45/71/618504571.db2.gz CYUORNOBZHULDM-RBSFLKMASA-N 2 1 308.491 3.154 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000893319020 618511498 /nfs/dbraw/zinc/51/14/98/618511498.db2.gz PKWMASFDMRZOHW-UHFFFAOYSA-N 2 1 321.509 3.003 20 0 DGADMP CC(C)(C)c1nc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cs1 ZINC000925626784 618513707 /nfs/dbraw/zinc/51/37/07/618513707.db2.gz QSGVOBRIPIPAFT-CQSZACIVSA-N 2 1 307.507 3.247 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)nc3c2CCCC3)CC1 ZINC000893324614 618514398 /nfs/dbraw/zinc/51/43/98/618514398.db2.gz XSICMNDTTHDZOP-UHFFFAOYSA-N 2 1 301.478 3.233 20 0 DGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)nc1 ZINC000893325994 618515055 /nfs/dbraw/zinc/51/50/55/618515055.db2.gz ADHFQHURPXDDHY-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925636175 618516952 /nfs/dbraw/zinc/51/69/52/618516952.db2.gz ANIUNSPVYQFORZ-NZSAHSFTSA-N 3 1 307.526 3.009 20 0 DGADMP CCOc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000895115586 618541751 /nfs/dbraw/zinc/54/17/51/618541751.db2.gz OBRKITQAAIWJQE-AEFFLSMTSA-N 2 1 314.429 3.113 20 0 DGADMP C[C@@H]([NH2+]Cc1cn2ccnc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487758 618571108 /nfs/dbraw/zinc/57/11/08/618571108.db2.gz MRFJMCGPZARZHR-ZIAGYGMSSA-N 2 1 318.490 3.138 20 0 DGADMP C[C@H](CC[NH2+]Cc1cnc(-c2ccccc2F)s1)[NH+](C)C ZINC000895292502 618588708 /nfs/dbraw/zinc/58/87/08/618588708.db2.gz FWMKJEBGDRQPLI-GFCCVEGCSA-N 2 1 307.438 3.379 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc(Cl)c1OC ZINC000895298940 618590122 /nfs/dbraw/zinc/59/01/22/618590122.db2.gz CFBVHBPSYUMXNI-LBPRGKRZSA-N 2 1 314.857 3.177 20 0 DGADMP CCC1([NH3+])CCN([C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759787 618602089 /nfs/dbraw/zinc/60/20/89/618602089.db2.gz LRRFRARYZZAMNB-PKOBYXMFSA-N 2 1 315.505 3.100 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773760 618614866 /nfs/dbraw/zinc/61/48/66/618614866.db2.gz PARPWKKTTHODKV-KURKYZTESA-N 2 1 300.446 3.029 20 0 DGADMP CC(C)[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925797596 618621989 /nfs/dbraw/zinc/62/19/89/618621989.db2.gz PBJOMMUCVKEONX-ZWKOTPCHSA-N 2 1 302.462 3.132 20 0 DGADMP COC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1 ZINC000925841618 618643365 /nfs/dbraw/zinc/64/33/65/618643365.db2.gz RPJDJIOPWNHSDZ-GVDBMIGSSA-N 2 1 308.853 3.149 20 0 DGADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)C(C)(C)c1ccccc1 ZINC000925844028 618644154 /nfs/dbraw/zinc/64/41/54/618644154.db2.gz INZRQDKZAMAWEK-SFHVURJKSA-N 2 1 317.521 3.018 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cc2c1OCC2 ZINC000925889615 618653311 /nfs/dbraw/zinc/65/33/11/618653311.db2.gz LLUUOHYGTCFLEE-FMVWZJFZSA-N 2 1 306.837 3.209 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050815 618700172 /nfs/dbraw/zinc/70/01/72/618700172.db2.gz UPASIDSCSBDJHE-NVXWUHKLSA-N 2 1 320.477 3.174 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050815 618700173 /nfs/dbraw/zinc/70/01/73/618700173.db2.gz UPASIDSCSBDJHE-NVXWUHKLSA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050815 618700175 /nfs/dbraw/zinc/70/01/75/618700175.db2.gz UPASIDSCSBDJHE-NVXWUHKLSA-N 2 1 320.477 3.174 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)[C@H](C)C1 ZINC000894050815 618700176 /nfs/dbraw/zinc/70/01/76/618700176.db2.gz UPASIDSCSBDJHE-NVXWUHKLSA-N 2 1 320.477 3.174 20 0 DGADMP Oc1cccc2sc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc21 ZINC000894163011 618722134 /nfs/dbraw/zinc/72/21/34/618722134.db2.gz FEWJUKXOZMCIRF-UHFFFAOYSA-N 2 1 302.443 3.323 20 0 DGADMP Oc1cccc2sc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc21 ZINC000894172255 618724219 /nfs/dbraw/zinc/72/42/19/618724219.db2.gz FVCRBLBRZVLVTQ-GFCCVEGCSA-N 2 1 302.443 3.181 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000924955055 618748719 /nfs/dbraw/zinc/74/87/19/618748719.db2.gz ZZSWCLFQEUEFRX-WBMJQRKESA-N 2 1 319.836 3.342 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)CCCC2)CC1 ZINC000924998135 618760345 /nfs/dbraw/zinc/76/03/45/618760345.db2.gz KHXBRPPXKMERKB-YQVWRLOYSA-N 2 1 318.505 3.354 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894323419 618764278 /nfs/dbraw/zinc/76/42/78/618764278.db2.gz GJZBZUHTYIRPCN-WMZOPIPTSA-N 2 1 324.472 3.115 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000894323419 618764280 /nfs/dbraw/zinc/76/42/80/618764280.db2.gz GJZBZUHTYIRPCN-WMZOPIPTSA-N 2 1 324.472 3.115 20 0 DGADMP COCC[N@@H+](C/C=C\c1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000895417350 618781434 /nfs/dbraw/zinc/78/14/34/618781434.db2.gz YSHKCRQOLYLLPC-XQRVVYSFSA-N 2 1 320.452 3.129 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000895424462 618783489 /nfs/dbraw/zinc/78/34/89/618783489.db2.gz YNINKIXRPYWNPK-AEFFLSMTSA-N 2 1 302.487 3.307 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000895424462 618783494 /nfs/dbraw/zinc/78/34/94/618783494.db2.gz YNINKIXRPYWNPK-AEFFLSMTSA-N 2 1 302.487 3.307 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895539708 618796653 /nfs/dbraw/zinc/79/66/53/618796653.db2.gz BUMGAUIGFKCPTE-LWCVALJOSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895539708 618796655 /nfs/dbraw/zinc/79/66/55/618796655.db2.gz BUMGAUIGFKCPTE-LWCVALJOSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]1C[N@H+](Cc2cnc(C3CC3)s2)CCN1c1cc[nH+]cc1 ZINC000895557410 618798835 /nfs/dbraw/zinc/79/88/35/618798835.db2.gz PGLVAHYKFDKWDB-ZDUSSCGKSA-N 2 1 314.458 3.126 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnc(C3CC3)s2)CCN1c1cc[nH+]cc1 ZINC000895557410 618798838 /nfs/dbraw/zinc/79/88/38/618798838.db2.gz PGLVAHYKFDKWDB-ZDUSSCGKSA-N 2 1 314.458 3.126 20 0 DGADMP Cn1ncc(C2CCC2)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683197 618818583 /nfs/dbraw/zinc/81/85/83/618818583.db2.gz IRIKOQWKKAAZFS-UHFFFAOYSA-N 2 1 318.509 3.386 20 0 DGADMP C[C@@]1(Br)C[C@H]1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000895735911 618826426 /nfs/dbraw/zinc/82/64/26/618826426.db2.gz IDNOQWYZJGXASL-DZGCQCFKSA-N 2 1 315.299 3.110 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)[nH]n1 ZINC000895927194 618850240 /nfs/dbraw/zinc/85/02/40/618850240.db2.gz JLNIHRSJRIRXRY-INIZCTEOSA-N 2 1 304.482 3.054 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000895927194 618850243 /nfs/dbraw/zinc/85/02/43/618850243.db2.gz JLNIHRSJRIRXRY-INIZCTEOSA-N 2 1 304.482 3.054 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000895927194 618850249 /nfs/dbraw/zinc/85/02/49/618850249.db2.gz JLNIHRSJRIRXRY-INIZCTEOSA-N 2 1 304.482 3.054 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)(C)CO ZINC000925134628 618925814 /nfs/dbraw/zinc/92/58/14/618925814.db2.gz HJDUJNYOJSZPNJ-LZWOXQAQSA-N 2 1 310.507 3.128 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)CO ZINC000925134628 618925817 /nfs/dbraw/zinc/92/58/17/618925817.db2.gz HJDUJNYOJSZPNJ-LZWOXQAQSA-N 2 1 310.507 3.128 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](CCN(C)C)c2cccnc2)CS1 ZINC000896720963 618948372 /nfs/dbraw/zinc/94/83/72/618948372.db2.gz KIROQTPZSQQDKI-BBWFWOEESA-N 2 1 307.507 3.194 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)nc(C)[nH+]1 ZINC000925226211 619083059 /nfs/dbraw/zinc/08/30/59/619083059.db2.gz ZQYAEZODCJZJBU-HTWSVDAQSA-N 2 1 314.477 3.231 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1CC1CCC1 ZINC000924713655 619263941 /nfs/dbraw/zinc/26/39/41/619263941.db2.gz RXLNWBDBNCNMAG-HNNXBMFYSA-N 2 1 316.493 3.208 20 0 DGADMP COC[C@@H](C)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518343 619283467 /nfs/dbraw/zinc/28/34/67/619283467.db2.gz GBVMSZMGCNPSMM-RNQOJCNYSA-N 2 1 316.489 3.159 20 0 DGADMP FC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898520062 619284046 /nfs/dbraw/zinc/28/40/46/619284046.db2.gz URMYMNPZWGYJMD-FGTMMUONSA-N 2 1 302.437 3.379 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000898523130 619284184 /nfs/dbraw/zinc/28/41/84/619284184.db2.gz ZSZVFBVKAPLJPF-MTQWCTHYSA-N 2 1 314.473 3.056 20 0 DGADMP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000898704700 619291493 /nfs/dbraw/zinc/29/14/93/619291493.db2.gz ZHBGTKKXEVOTIN-FUHWJXTLSA-N 2 1 319.493 3.302 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755924 619337174 /nfs/dbraw/zinc/33/71/74/619337174.db2.gz XRLWXPATJMLZMA-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755924 619337176 /nfs/dbraw/zinc/33/71/76/619337176.db2.gz XRLWXPATJMLZMA-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP Cc1cc(C)c(Cn2cc(C[NH+](C(C)C)C(C)C)nn2)c(C)[nH+]1 ZINC000900582496 619438528 /nfs/dbraw/zinc/43/85/28/619438528.db2.gz WVQKFSWVTNTNMY-UHFFFAOYSA-N 2 1 315.465 3.265 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C1 ZINC000902318305 619614486 /nfs/dbraw/zinc/61/44/86/619614486.db2.gz GRZRPXDFLTZGNU-RBUKOAKNSA-N 2 1 315.505 3.191 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)C1 ZINC000902321422 619615232 /nfs/dbraw/zinc/61/52/32/619615232.db2.gz VSTFQAZTVCJOGX-JKSUJKDBSA-N 2 1 321.534 3.253 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CCO2 ZINC000902374403 619624651 /nfs/dbraw/zinc/62/46/51/619624651.db2.gz LPMWWGGSTLSAGY-RHSMWYFYSA-N 2 1 318.461 3.277 20 0 DGADMP COc1c2ccccc2oc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902378688 619625338 /nfs/dbraw/zinc/62/53/38/619625338.db2.gz ZYFHOTZUKSJEND-ZDUSSCGKSA-N 2 1 302.418 3.309 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000902400516 619631743 /nfs/dbraw/zinc/63/17/43/619631743.db2.gz RSWUXQVALVEIJF-CYBMUJFWSA-N 2 1 316.367 3.295 20 0 DGADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1F ZINC000902472265 619637903 /nfs/dbraw/zinc/63/79/03/619637903.db2.gz ZTRBQPCPMCUWOM-KVDVXYDOSA-N 2 1 318.436 3.343 20 0 DGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902484235 619646015 /nfs/dbraw/zinc/64/60/15/619646015.db2.gz VAGMFJCOVYCMQY-LSDHHAIUSA-N 2 1 300.450 3.006 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753485 619670220 /nfs/dbraw/zinc/67/02/20/619670220.db2.gz QENCXEUHRDDGLY-IACUBPJLSA-N 2 1 313.367 3.378 20 0 DGADMP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000902757345 619671274 /nfs/dbraw/zinc/67/12/74/619671274.db2.gz RGFWZVAPNFRCHL-SJORKVTESA-N 2 1 314.433 3.013 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902778829 619674545 /nfs/dbraw/zinc/67/45/45/619674545.db2.gz CLPFARITHACCER-BHIYHBOVSA-N 2 1 308.510 3.293 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902789880 619677066 /nfs/dbraw/zinc/67/70/66/619677066.db2.gz KUXUKGWACYRFTN-VKJFTORMSA-N 2 1 313.445 3.057 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)C1 ZINC000902792748 619677326 /nfs/dbraw/zinc/67/73/26/619677326.db2.gz CZAAJDKDPWZGJW-JENIJYKNSA-N 2 1 316.489 3.336 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1COc2ccccc2C1 ZINC000902822010 619679695 /nfs/dbraw/zinc/67/96/95/619679695.db2.gz OPKQQWSQWVOCBW-YARHPZGWSA-N 2 1 314.473 3.231 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1COc2ccccc2C1 ZINC000902822010 619679696 /nfs/dbraw/zinc/67/96/96/619679696.db2.gz OPKQQWSQWVOCBW-YARHPZGWSA-N 2 1 314.473 3.231 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCc1cccnc1)c1ccccc1 ZINC000902958855 619697701 /nfs/dbraw/zinc/69/77/01/619697701.db2.gz VUEGOCANTQCVCV-FQEVSTJZSA-N 2 1 320.440 3.321 20 0 DGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903057055 619707368 /nfs/dbraw/zinc/70/73/68/619707368.db2.gz AIGJCQPPTZUAHT-ZNBHLAFESA-N 2 1 313.489 3.037 20 0 DGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903057055 619707371 /nfs/dbraw/zinc/70/73/71/619707371.db2.gz AIGJCQPPTZUAHT-ZNBHLAFESA-N 2 1 313.489 3.037 20 0 DGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903057055 619707373 /nfs/dbraw/zinc/70/73/73/619707373.db2.gz AIGJCQPPTZUAHT-ZNBHLAFESA-N 2 1 313.489 3.037 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076393 619711980 /nfs/dbraw/zinc/71/19/80/619711980.db2.gz OQXYJPTTZQFZCD-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076393 619711981 /nfs/dbraw/zinc/71/19/81/619711981.db2.gz OQXYJPTTZQFZCD-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP CCCOc1ncccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078252 619712396 /nfs/dbraw/zinc/71/23/96/619712396.db2.gz DRFABJCEYZDPJC-ZNXRZULTSA-N 2 1 315.461 3.118 20 0 DGADMP Clc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903082631 619713070 /nfs/dbraw/zinc/71/30/70/619713070.db2.gz UHVQJCMPGIXIAW-ZXFUBFMLSA-N 2 1 320.864 3.466 20 0 DGADMP Fc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903069670 619715049 /nfs/dbraw/zinc/71/50/49/619715049.db2.gz YGTCPIZNMNFWRA-ZXFUBFMLSA-N 2 1 318.436 3.342 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903070033 619715177 /nfs/dbraw/zinc/71/51/77/619715177.db2.gz OCMOIMVFPJIPGL-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903073115 619715441 /nfs/dbraw/zinc/71/54/41/619715441.db2.gz HZDJHVIWBCQKRA-ZCTYVAAUSA-N 2 1 300.446 3.122 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cnn(CC2CCC2)c1 ZINC000903073841 619715723 /nfs/dbraw/zinc/71/57/23/619715723.db2.gz LHUVNHZWRDSABZ-JKSUJKDBSA-N 2 1 304.482 3.066 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000903110252 619718374 /nfs/dbraw/zinc/71/83/74/619718374.db2.gz BXPNFYJJGPIAOK-LHDHZVESSA-N 2 1 316.489 3.300 20 0 DGADMP CCOc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903125679 619721996 /nfs/dbraw/zinc/72/19/96/619721996.db2.gz NNANSDHMHQIJTH-JLYLLQBASA-N 2 1 314.473 3.375 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903125727 619722102 /nfs/dbraw/zinc/72/21/02/619722102.db2.gz OFUDTERZZAAIBD-VQIMIIECSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903125727 619722104 /nfs/dbraw/zinc/72/21/04/619722104.db2.gz OFUDTERZZAAIBD-VQIMIIECSA-N 2 1 301.478 3.490 20 0 DGADMP COc1ccc2c(c1Cl)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCC2 ZINC000903152556 619725508 /nfs/dbraw/zinc/72/55/08/619725508.db2.gz PAHVPQBAGICDOD-AWEZNQCLSA-N 2 1 319.836 3.292 20 0 DGADMP Cc1cnc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903153054 619725639 /nfs/dbraw/zinc/72/56/39/619725639.db2.gz PSOXTPRRODRPEU-BPZRQAJTSA-N 2 1 305.491 3.302 20 0 DGADMP Fc1cccc(NCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903148997 619728933 /nfs/dbraw/zinc/72/89/33/619728933.db2.gz YYPKVCALWMJNTC-JLYLLQBASA-N 2 1 317.452 3.375 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000903168553 619732882 /nfs/dbraw/zinc/73/28/82/619732882.db2.gz XIDOSKHTFJRPDP-NXCDMZCRSA-N 2 1 304.478 3.083 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@](C)(O)c1ccccc1 ZINC000903193489 619733772 /nfs/dbraw/zinc/73/37/72/619733772.db2.gz FBSLODASCXAVAP-BUHWKMJWSA-N 2 1 314.473 3.030 20 0 DGADMP OC[C@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903190739 619737519 /nfs/dbraw/zinc/73/75/19/619737519.db2.gz YWUVAJYYYZSFHC-PUERQQPESA-N 2 1 306.494 3.065 20 0 DGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000903207974 619738366 /nfs/dbraw/zinc/73/83/66/619738366.db2.gz XLRFSIOZOGHZDE-CRAIPNDOSA-N 2 1 318.461 3.132 20 0 DGADMP CC1(C)CCC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903209056 619738929 /nfs/dbraw/zinc/73/89/29/619738929.db2.gz DXYLQZGFQYPUKQ-WQHGSSGSSA-N 2 1 320.521 3.455 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000903207977 619738956 /nfs/dbraw/zinc/73/89/56/619738956.db2.gz XLRFSIOZOGHZDE-YJBOKZPZSA-N 2 1 318.461 3.132 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208067 619739023 /nfs/dbraw/zinc/73/90/23/619739023.db2.gz YRHGRGIXKWIXKJ-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(CC2CCC2)c1 ZINC000903208067 619739026 /nfs/dbraw/zinc/73/90/26/619739026.db2.gz YRHGRGIXKWIXKJ-RDJZCZTQSA-N 2 1 304.482 3.066 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000903253257 619745362 /nfs/dbraw/zinc/74/53/62/619745362.db2.gz KYYOJKCDKJWTSJ-BFHRDPOASA-N 2 1 302.466 3.174 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000903264271 619747505 /nfs/dbraw/zinc/74/75/05/619747505.db2.gz HAFMUEFZLCWIND-OBZTUIKSSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000903264271 619747507 /nfs/dbraw/zinc/74/75/07/619747507.db2.gz HAFMUEFZLCWIND-OBZTUIKSSA-N 2 1 314.473 3.197 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCOC13CCCCC3)C2 ZINC000903268859 619749689 /nfs/dbraw/zinc/74/96/89/619749689.db2.gz RQCGUJTYGYJFDA-ONQFOCNCSA-N 2 1 304.478 3.226 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000903464607 619779014 /nfs/dbraw/zinc/77/90/14/619779014.db2.gz TZDHZXAMDZALBW-PBHICJAKSA-N 2 1 316.493 3.102 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903475909 619780175 /nfs/dbraw/zinc/78/01/75/619780175.db2.gz HIMKPFRQRTWPSU-ZACQAIPSSA-N 2 1 302.462 3.120 20 0 DGADMP c1ccc2c(CC[NH2+][C@@H]3CC[NH2+]C34CCCC4)nsc2c1 ZINC000903483739 619781119 /nfs/dbraw/zinc/78/11/19/619781119.db2.gz LHHCJRUXUCYSPH-MRXNPFEDSA-N 2 1 301.459 3.103 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903499305 619781405 /nfs/dbraw/zinc/78/14/05/619781405.db2.gz QQKNZGKBYMEIIW-YSHGAJCASA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496957 619782420 /nfs/dbraw/zinc/78/24/20/619782420.db2.gz LCJQRLUCCOXDHT-FRRDWIJNSA-N 2 1 322.403 3.409 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496764 619782473 /nfs/dbraw/zinc/78/24/73/619782473.db2.gz BYCWFDMBVHHKQT-DGCLKSJQSA-N 2 1 302.340 3.002 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2nc3ccccc3s2)C2CC2)C1 ZINC000903569911 619784285 /nfs/dbraw/zinc/78/42/85/619784285.db2.gz OQGKGQSSRVLZOE-QWHCGFSZSA-N 2 1 301.459 3.388 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722665 619803557 /nfs/dbraw/zinc/80/35/57/619803557.db2.gz CUPGQGZQISUKMF-GUDVDZBRSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722494 619803659 /nfs/dbraw/zinc/80/36/59/619803659.db2.gz BKOZIXUPOSSSCJ-ZFWWWQNUSA-N 2 1 324.415 3.116 20 0 DGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722278 619803853 /nfs/dbraw/zinc/80/38/53/619803853.db2.gz JZZPCVFVPFFARR-UFYCRDLUSA-N 2 1 314.473 3.372 20 0 DGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730667 619805477 /nfs/dbraw/zinc/80/54/77/619805477.db2.gz YIVPESRHCTWZHF-OALUTQOASA-N 2 1 316.489 3.474 20 0 DGADMP Fc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000903713161 619806340 /nfs/dbraw/zinc/80/63/40/619806340.db2.gz GOZBYNIFMNHGFC-UHFFFAOYSA-N 2 1 312.816 3.074 20 0 DGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903733061 619806520 /nfs/dbraw/zinc/80/65/20/619806520.db2.gz IRJCHQYYRJGTLT-WBVHZDCISA-N 2 1 318.436 3.110 20 0 DGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903733061 619806521 /nfs/dbraw/zinc/80/65/21/619806521.db2.gz IRJCHQYYRJGTLT-WBVHZDCISA-N 2 1 318.436 3.110 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)cc1F ZINC000903765018 619809504 /nfs/dbraw/zinc/80/95/04/619809504.db2.gz DPBCGNYLNDADKE-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@@H](C(F)(F)F)O2)CCC1 ZINC000903811047 619817604 /nfs/dbraw/zinc/81/76/04/619817604.db2.gz JBFXCXBFSSJLSI-IHRRRGAJSA-N 2 1 320.399 3.080 20 0 DGADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)s1 ZINC000903811817 619817670 /nfs/dbraw/zinc/81/76/70/619817670.db2.gz NTDKQLDUXCMQES-OAHLLOKOSA-N 2 1 322.474 3.018 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)s1 ZINC000903811817 619817672 /nfs/dbraw/zinc/81/76/72/619817672.db2.gz NTDKQLDUXCMQES-OAHLLOKOSA-N 2 1 322.474 3.018 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000903843696 619822833 /nfs/dbraw/zinc/82/28/33/619822833.db2.gz QGDIURVMASWBSG-UVBJJODRSA-N 2 1 301.821 3.200 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889348 619826318 /nfs/dbraw/zinc/82/63/18/619826318.db2.gz RGDKOPHMXAHLBQ-KGEPEWOVSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889348 619826320 /nfs/dbraw/zinc/82/63/20/619826320.db2.gz RGDKOPHMXAHLBQ-KGEPEWOVSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889348 619826323 /nfs/dbraw/zinc/82/63/23/619826323.db2.gz RGDKOPHMXAHLBQ-KGEPEWOVSA-N 3 1 319.537 3.103 20 0 DGADMP COc1ccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000903878494 619827798 /nfs/dbraw/zinc/82/77/98/619827798.db2.gz WDZQBGHXHWRRIY-ALOPSCKCSA-N 2 1 300.446 3.190 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892784 619829366 /nfs/dbraw/zinc/82/93/66/619829366.db2.gz WOSZFJKYLOEUNZ-DUZACMNTSA-N 2 1 302.462 3.089 20 0 DGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccc(F)cc2)O1 ZINC000903895201 619829668 /nfs/dbraw/zinc/82/96/68/619829668.db2.gz LJJWWMVGKYISLL-XMSMUOIISA-N 2 1 318.436 3.118 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903894786 619829930 /nfs/dbraw/zinc/82/99/30/619829930.db2.gz DTXOTYZJZIZXKR-FQEVSTJZSA-N 2 1 307.441 3.373 20 0 DGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CCC(C)C)cnn1C ZINC000903900009 619830625 /nfs/dbraw/zinc/83/06/25/619830625.db2.gz XWWDZBCWFFBXIR-MJGOQNOKSA-N 2 1 320.525 3.137 20 0 DGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccsc2)O1 ZINC000903898799 619830787 /nfs/dbraw/zinc/83/07/87/619830787.db2.gz QBRMIQLSLDRXFH-AIDGVLJZSA-N 2 1 306.475 3.041 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923172 619835039 /nfs/dbraw/zinc/83/50/39/619835039.db2.gz NFPAPJUXRHQPMH-SKDRFNHKSA-N 2 1 310.310 3.209 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903938029 619838069 /nfs/dbraw/zinc/83/80/69/619838069.db2.gz XXHKGLUZHCCYQL-YNBOMUFVSA-N 2 1 316.493 3.243 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000903938029 619838072 /nfs/dbraw/zinc/83/80/72/619838072.db2.gz XXHKGLUZHCCYQL-YNBOMUFVSA-N 2 1 316.493 3.243 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000903938029 619838075 /nfs/dbraw/zinc/83/80/75/619838075.db2.gz XXHKGLUZHCCYQL-YNBOMUFVSA-N 2 1 316.493 3.243 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918041 619838762 /nfs/dbraw/zinc/83/87/62/619838762.db2.gz QSLZMNQUHKIZTF-OAQYLSRUSA-N 2 1 323.484 3.245 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960155 619839883 /nfs/dbraw/zinc/83/98/83/619839883.db2.gz YCEILGOOPNFBCR-APWZRJJASA-N 2 1 300.446 3.018 20 0 DGADMP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959769 619840006 /nfs/dbraw/zinc/84/00/06/619840006.db2.gz OAERWCKOABSCMZ-FNQPIQQGSA-N 2 1 300.446 3.174 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959769 619840009 /nfs/dbraw/zinc/84/00/09/619840009.db2.gz OAERWCKOABSCMZ-FNQPIQQGSA-N 2 1 300.446 3.174 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000903946887 619843705 /nfs/dbraw/zinc/84/37/05/619843705.db2.gz HBOTXCAQSMUVOU-UHFFFAOYSA-N 2 1 302.340 3.289 20 0 DGADMP CCC[C@@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973526 619847498 /nfs/dbraw/zinc/84/74/98/619847498.db2.gz PGPUZKAUBGOQHO-OALUTQOASA-N 2 1 316.489 3.319 20 0 DGADMP CCC[C@@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973527 619847504 /nfs/dbraw/zinc/84/75/04/619847504.db2.gz PGPUZKAUBGOQHO-RBUKOAKNSA-N 2 1 316.489 3.319 20 0 DGADMP CCC[C@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973524 619847555 /nfs/dbraw/zinc/84/75/55/619847555.db2.gz PGPUZKAUBGOQHO-MOPGFXCFSA-N 2 1 316.489 3.319 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CC[NH2+]1 ZINC000903987763 619852604 /nfs/dbraw/zinc/85/26/04/619852604.db2.gz IPGGIPGELKAPEW-KFWWJZLASA-N 2 1 319.518 3.199 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C)c1 ZINC000904307679 619911668 /nfs/dbraw/zinc/91/16/68/619911668.db2.gz DTKKJNCCOHCFIW-OTVXOJSOSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CCC[NH2+]C1 ZINC000904306819 619911689 /nfs/dbraw/zinc/91/16/89/619911689.db2.gz DSTZNKDCRKBQKY-DNVCBOLYSA-N 2 1 313.445 3.397 20 0 DGADMP COCCCC[N@@H+](Cc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904313582 619912152 /nfs/dbraw/zinc/91/21/52/619912152.db2.gz IADFEQFOZJRZBX-LJQANCHMSA-N 2 1 304.478 3.305 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904313674 619912314 /nfs/dbraw/zinc/91/23/14/619912314.db2.gz XROYWJOZRFABCP-MJGOQNOKSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904386143 619918940 /nfs/dbraw/zinc/91/89/40/619918940.db2.gz QGOZWSLHRWIZOJ-NVXWUHKLSA-N 2 1 307.507 3.096 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC000904409965 619920367 /nfs/dbraw/zinc/92/03/67/619920367.db2.gz LAOGEUJRNBGLDQ-SJLPKXTDSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1C[NH3+] ZINC000904411067 619920485 /nfs/dbraw/zinc/92/04/85/619920485.db2.gz JKLBRQIACDIPSQ-VXGBXAGGSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000904410816 619920730 /nfs/dbraw/zinc/92/07/30/619920730.db2.gz ISMBCWGYEOBGGI-QWRGUYRKSA-N 2 1 304.331 3.261 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC ZINC000904412088 619921204 /nfs/dbraw/zinc/92/12/04/619921204.db2.gz PSUGASVBTIMIPG-YQQAZPJKSA-N 2 1 320.477 3.289 20 0 DGADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904474218 619924779 /nfs/dbraw/zinc/92/47/79/619924779.db2.gz KLOQWZMPHYEHPM-ZXFUBFMLSA-N 2 1 310.445 3.039 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000905055197 619966469 /nfs/dbraw/zinc/96/64/69/619966469.db2.gz NBWQCEMBMIWFQL-INIZCTEOSA-N 2 1 316.445 3.319 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCCO2 ZINC000153013623 620530925 /nfs/dbraw/zinc/53/09/25/620530925.db2.gz FRGKXBSWXLJPSV-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754871907 620585023 /nfs/dbraw/zinc/58/50/23/620585023.db2.gz COPUHPNEFURPLB-UHFFFAOYSA-N 2 1 323.456 3.338 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000921536515 620904120 /nfs/dbraw/zinc/90/41/20/620904120.db2.gz JHTIYHFENKARIT-MTHXSQLBSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)ccc2O1 ZINC000921564593 620908844 /nfs/dbraw/zinc/90/88/44/620908844.db2.gz WDCGCKMTWJZQEC-AWEZNQCLSA-N 2 1 302.462 3.363 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000921619731 620915903 /nfs/dbraw/zinc/91/59/03/620915903.db2.gz OQEDMQMVRCCGEI-QRQLOZEOSA-N 2 1 308.510 3.292 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000921621457 620915928 /nfs/dbraw/zinc/91/59/28/620915928.db2.gz WDVSPHHROZYNTE-UHFFFAOYSA-N 2 1 304.482 3.037 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921914238 620967734 /nfs/dbraw/zinc/96/77/34/620967734.db2.gz HUWXHJXTMUJTIT-MRXNPFEDSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921914238 620967736 /nfs/dbraw/zinc/96/77/36/620967736.db2.gz HUWXHJXTMUJTIT-MRXNPFEDSA-N 2 1 304.482 3.066 20 0 DGADMP CSCc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000922064589 620985188 /nfs/dbraw/zinc/98/51/88/620985188.db2.gz WBODIDPPWYUCRS-MRXNPFEDSA-N 2 1 301.459 3.098 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(C)C)C2)ccn1 ZINC000856550788 621004104 /nfs/dbraw/zinc/00/41/04/621004104.db2.gz HELFFMGYFNYRQO-GOSISDBHSA-N 2 1 305.466 3.033 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(C)C)C2)ccn1 ZINC000856550788 621004106 /nfs/dbraw/zinc/00/41/06/621004106.db2.gz HELFFMGYFNYRQO-GOSISDBHSA-N 2 1 305.466 3.033 20 0 DGADMP CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585004 621006478 /nfs/dbraw/zinc/00/64/78/621006478.db2.gz XAYSGDNERMQDSI-YJBOKZPZSA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585004 621006479 /nfs/dbraw/zinc/00/64/79/621006479.db2.gz XAYSGDNERMQDSI-YJBOKZPZSA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585004 621006482 /nfs/dbraw/zinc/00/64/82/621006482.db2.gz XAYSGDNERMQDSI-YJBOKZPZSA-N 2 1 305.466 3.175 20 0 DGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCCC1)C2 ZINC000922386974 621032660 /nfs/dbraw/zinc/03/26/60/621032660.db2.gz ICMQVHPMWUQLTI-NCXUSEDFSA-N 2 1 308.510 3.026 20 0 DGADMP c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000857846631 621121123 /nfs/dbraw/zinc/12/11/23/621121123.db2.gz NGXUZGWNIHJLFE-GOSISDBHSA-N 2 1 310.445 3.173 20 0 DGADMP c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000857846631 621121127 /nfs/dbraw/zinc/12/11/27/621121127.db2.gz NGXUZGWNIHJLFE-GOSISDBHSA-N 2 1 310.445 3.173 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)CC1(C)C ZINC000922963313 621140298 /nfs/dbraw/zinc/14/02/98/621140298.db2.gz LTXNBYHNGFTERW-MJGOQNOKSA-N 2 1 302.462 3.155 20 0 DGADMP c1cc([C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cs1 ZINC000923318021 621174973 /nfs/dbraw/zinc/17/49/73/621174973.db2.gz WHTWDMPMJMGCFN-YQAQFAQXSA-N 2 1 306.475 3.042 20 0 DGADMP c1cc([C@@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cs1 ZINC000923318021 621174978 /nfs/dbraw/zinc/17/49/78/621174978.db2.gz WHTWDMPMJMGCFN-YQAQFAQXSA-N 2 1 306.475 3.042 20 0 DGADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309114 621175372 /nfs/dbraw/zinc/17/53/72/621175372.db2.gz REWGVCAQZRNISB-YLJYHZDGSA-N 2 1 322.452 3.355 20 0 DGADMP CC(C)c1nc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312018 621175551 /nfs/dbraw/zinc/17/55/51/621175551.db2.gz GIIAAKLVLZOJSI-WTXIUTQJSA-N 2 1 318.465 3.251 20 0 DGADMP CC(C)c1nc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312018 621175552 /nfs/dbraw/zinc/17/55/52/621175552.db2.gz GIIAAKLVLZOJSI-WTXIUTQJSA-N 2 1 318.465 3.251 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923329891 621175988 /nfs/dbraw/zinc/17/59/88/621175988.db2.gz QWTXVEGLRACUBJ-OTYNDTSQSA-N 2 1 324.468 3.087 20 0 DGADMP C[C@H]1C[C@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000923323581 621176374 /nfs/dbraw/zinc/17/63/74/621176374.db2.gz USVYJWKRAOPKQD-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923373942 621179170 /nfs/dbraw/zinc/17/91/70/621179170.db2.gz RBKPTNDTLAKXEZ-NXEWRWPSSA-N 2 1 316.489 3.097 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cc1ccc2ccccc2c1 ZINC000923428818 621183578 /nfs/dbraw/zinc/18/35/78/621183578.db2.gz KNASLWCECVUCDV-VQTJNVASSA-N 2 1 324.468 3.008 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923495391 621187543 /nfs/dbraw/zinc/18/75/43/621187543.db2.gz BSIAWDNXGSSONI-CMPLNLGQSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(Nc3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923496654 621188016 /nfs/dbraw/zinc/18/80/16/621188016.db2.gz IJZBNAZDUZZINM-UONOGXRCSA-N 2 1 316.474 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923493927 621188105 /nfs/dbraw/zinc/18/81/05/621188105.db2.gz JIRQWZBAHUMXEA-YPMHNXCESA-N 2 1 302.340 3.002 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1C[NH3+] ZINC000923502385 621188176 /nfs/dbraw/zinc/18/81/76/621188176.db2.gz WWZXJCNBPPJMGH-MNOVXSKESA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923497895 621188589 /nfs/dbraw/zinc/18/85/89/621188589.db2.gz NDYPKQLCYOKGNG-STQMWFEESA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923502494 621188806 /nfs/dbraw/zinc/18/88/06/621188806.db2.gz ZZEOEKIIKWERQX-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923500846 621189069 /nfs/dbraw/zinc/18/90/69/621189069.db2.gz POEMYMMKKTYLTP-GDBMZVCRSA-N 2 1 315.486 3.151 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1C[NH3+] ZINC000923499801 621189184 /nfs/dbraw/zinc/18/91/84/621189184.db2.gz UFYKZEVUZJOCBR-DZGCQCFKSA-N 2 1 301.459 3.227 20 0 DGADMP CC(C)n1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923505240 621189771 /nfs/dbraw/zinc/18/97/71/621189771.db2.gz NRBYWCPEUAJVIC-MRXNPFEDSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)n1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923505239 621189835 /nfs/dbraw/zinc/18/98/35/621189835.db2.gz NRBYWCPEUAJVIC-INIZCTEOSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)c1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923504264 621189871 /nfs/dbraw/zinc/18/98/71/621189871.db2.gz WBILVOQEBNDIPX-CABCVRRESA-N 2 1 320.481 3.356 20 0 DGADMP CC(C)n1ccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507473 621190253 /nfs/dbraw/zinc/19/02/53/621190253.db2.gz OLCQKWQUDWSADB-MRXNPFEDSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c(CO)c1 ZINC000858487140 621197146 /nfs/dbraw/zinc/19/71/46/621197146.db2.gz UWSVBECDPAGPFO-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP CO[C@H](C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000859213135 621261014 /nfs/dbraw/zinc/26/10/14/621261014.db2.gz RXYXUIURGRBBLE-LJQANCHMSA-N 2 1 304.478 3.385 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2CC(OC)C2)CC1)CC1CC1 ZINC000859224634 621262685 /nfs/dbraw/zinc/26/26/85/621262685.db2.gz CWBDIGXXUQBIFC-UHFFFAOYSA-N 2 1 308.510 3.245 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3c(n2)CCC3)cc1 ZINC000839098648 621328866 /nfs/dbraw/zinc/32/88/66/621328866.db2.gz YVHMCPQKBLJKER-UHFFFAOYSA-N 2 1 309.457 3.264 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000839183300 621344399 /nfs/dbraw/zinc/34/43/99/621344399.db2.gz WBZXJSIKOOWHMD-OAHLLOKOSA-N 2 1 318.461 3.153 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000754794426 621533462 /nfs/dbraw/zinc/53/34/62/621533462.db2.gz JRWCYPSZPSLWIV-CMKODMSKSA-N 2 1 313.489 3.180 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000755038769 621548463 /nfs/dbraw/zinc/54/84/63/621548463.db2.gz BYMFZJJLODANRM-RTBURBONSA-N 2 1 304.478 3.306 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000755038769 621548464 /nfs/dbraw/zinc/54/84/64/621548464.db2.gz BYMFZJJLODANRM-RTBURBONSA-N 2 1 304.478 3.306 20 0 DGADMP CC(C)n1ccn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755780217 621593009 /nfs/dbraw/zinc/59/30/09/621593009.db2.gz WZDGYMXPFKJEGP-INIZCTEOSA-N 2 1 322.522 3.221 20 0 DGADMP CC(C)n1ccn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755780220 621593303 /nfs/dbraw/zinc/59/33/03/621593303.db2.gz WZDGYMXPFKJEGP-MRXNPFEDSA-N 2 1 322.522 3.221 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863483260 621677250 /nfs/dbraw/zinc/67/72/50/621677250.db2.gz TXRKQDKUWVYJKJ-DOMZBBRYSA-N 2 1 323.278 3.254 20 0 DGADMP C[C@H]1CCOCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000839543421 621693559 /nfs/dbraw/zinc/69/35/59/621693559.db2.gz KKINEEPPIGJJIE-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1CCOCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000839543423 621693583 /nfs/dbraw/zinc/69/35/83/621693583.db2.gz KKINEEPPIGJJIE-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865505334 621938114 /nfs/dbraw/zinc/93/81/14/621938114.db2.gz FBPZTUQZSXYJCW-ZDUSSCGKSA-N 2 1 313.848 3.332 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865505334 621938117 /nfs/dbraw/zinc/93/81/17/621938117.db2.gz FBPZTUQZSXYJCW-ZDUSSCGKSA-N 2 1 313.848 3.332 20 0 DGADMP CC(C)(C)c1csc(CNCc2ccc3cncn3c2)n1 ZINC000865597442 621959263 /nfs/dbraw/zinc/95/92/63/621959263.db2.gz AFIVLIKHVPZOOK-UHFFFAOYSA-N 2 1 300.431 3.378 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804794 621997992 /nfs/dbraw/zinc/99/79/92/621997992.db2.gz HZGGYLJQQIQFLS-FUHWJXTLSA-N 2 1 306.494 3.475 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804794 621997993 /nfs/dbraw/zinc/99/79/93/621997993.db2.gz HZGGYLJQQIQFLS-FUHWJXTLSA-N 2 1 306.494 3.475 20 0 DGADMP COc1cccc2c(N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc(C)nc12 ZINC000866204852 622065744 /nfs/dbraw/zinc/06/57/44/622065744.db2.gz GZSMHTSQAZWSIX-GDBMZVCRSA-N 2 1 311.429 3.082 20 0 DGADMP COc1cccc2c(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204852 622065747 /nfs/dbraw/zinc/06/57/47/622065747.db2.gz GZSMHTSQAZWSIX-GDBMZVCRSA-N 2 1 311.429 3.082 20 0 DGADMP COc1cccc2c(N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000866204852 622065750 /nfs/dbraw/zinc/06/57/50/622065750.db2.gz GZSMHTSQAZWSIX-GDBMZVCRSA-N 2 1 311.429 3.082 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866251238 622076388 /nfs/dbraw/zinc/07/63/88/622076388.db2.gz PQZIMDWISPXGOG-JTQLQIEISA-N 2 1 304.781 3.337 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762646699 622088819 /nfs/dbraw/zinc/08/88/19/622088819.db2.gz AZHUVYIFAXVAKR-QFBILLFUSA-N 2 1 302.462 3.073 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866308656 622090202 /nfs/dbraw/zinc/09/02/02/622090202.db2.gz ZJBBBZGOXHLKRJ-IEBWSBKVSA-N 2 1 303.494 3.360 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866314833 622092171 /nfs/dbraw/zinc/09/21/71/622092171.db2.gz PRAURCRZEQIJNJ-MRXNPFEDSA-N 2 1 309.457 3.407 20 0 DGADMP Clc1cncc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866666330 622154260 /nfs/dbraw/zinc/15/42/60/622154260.db2.gz QQTWOXIIXDGDEO-OAHLLOKOSA-N 2 1 314.260 3.352 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1Cl ZINC000866666295 622154373 /nfs/dbraw/zinc/15/43/73/622154373.db2.gz PNCRCYVUDWSPGP-CABCVRRESA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000866668667 622154729 /nfs/dbraw/zinc/15/47/29/622154729.db2.gz HSLLNTSXFMNKGJ-CYBMUJFWSA-N 2 1 323.868 3.036 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000866707584 622158958 /nfs/dbraw/zinc/15/89/58/622158958.db2.gz VAUQLYBVYMKXLF-IBGZPJMESA-N 3 1 312.461 3.069 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000866705618 622158988 /nfs/dbraw/zinc/15/89/88/622158988.db2.gz FAXODMIDYKZFNA-LJQANCHMSA-N 2 1 313.445 3.137 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000866717788 622159538 /nfs/dbraw/zinc/15/95/38/622159538.db2.gz OZAGGKILRLRIJO-IAGOWNOFSA-N 2 1 302.462 3.264 20 0 DGADMP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765979194 622298018 /nfs/dbraw/zinc/29/80/18/622298018.db2.gz WODHCPDWRZBKDK-HOCLYGCPSA-N 2 1 308.491 3.351 20 0 DGADMP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765980515 622298522 /nfs/dbraw/zinc/29/85/22/622298522.db2.gz ZZKVZIRKNQRKGT-ZBFHGGJFSA-N 2 1 314.539 3.140 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000766239813 622314362 /nfs/dbraw/zinc/31/43/62/622314362.db2.gz OQTSMFHLTSHYSP-INIZCTEOSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000766239813 622314363 /nfs/dbraw/zinc/31/43/63/622314363.db2.gz OQTSMFHLTSHYSP-INIZCTEOSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cnc1Cl ZINC000768302679 622449368 /nfs/dbraw/zinc/44/93/68/622449368.db2.gz JUQDJPWDHCDXBV-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1COC2 ZINC000769500352 622534445 /nfs/dbraw/zinc/53/44/45/622534445.db2.gz XOEAHVHQQCETBT-QGZVFWFLSA-N 2 1 300.446 3.025 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1COC2 ZINC000769500352 622534447 /nfs/dbraw/zinc/53/44/47/622534447.db2.gz XOEAHVHQQCETBT-QGZVFWFLSA-N 2 1 300.446 3.025 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769971057 622583221 /nfs/dbraw/zinc/58/32/21/622583221.db2.gz XDCCYWGAGYQYLC-SCTDSRPQSA-N 2 1 314.473 3.134 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000769971057 622583231 /nfs/dbraw/zinc/58/32/31/622583231.db2.gz XDCCYWGAGYQYLC-SCTDSRPQSA-N 2 1 314.473 3.134 20 0 DGADMP CCc1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871785080 622697384 /nfs/dbraw/zinc/69/73/84/622697384.db2.gz QDXUVUJEDOAPGJ-ALOPSCKCSA-N 2 1 301.434 3.120 20 0 DGADMP CCc1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871785080 622697388 /nfs/dbraw/zinc/69/73/88/622697388.db2.gz QDXUVUJEDOAPGJ-ALOPSCKCSA-N 2 1 301.434 3.120 20 0 DGADMP CCc1ccccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785814 622697496 /nfs/dbraw/zinc/69/74/96/622697496.db2.gz XEHWOLZGIWWZCR-ALOPSCKCSA-N 2 1 301.434 3.120 20 0 DGADMP CCc1ccccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785814 622697499 /nfs/dbraw/zinc/69/74/99/622697499.db2.gz XEHWOLZGIWWZCR-ALOPSCKCSA-N 2 1 301.434 3.120 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)Nc1ccc(C)cc1 ZINC000871886765 622731434 /nfs/dbraw/zinc/73/14/34/622731434.db2.gz SHOKLVBIMPGQPW-GOSISDBHSA-N 2 1 317.477 3.176 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000872019101 622755214 /nfs/dbraw/zinc/75/52/14/622755214.db2.gz SMNPNUZVEVCRGU-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000872053365 622777959 /nfs/dbraw/zinc/77/79/59/622777959.db2.gz JCLNCHRPAUGUNS-IBGZPJMESA-N 2 1 320.452 3.013 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000872080673 622793642 /nfs/dbraw/zinc/79/36/42/622793642.db2.gz BRPJDDUNLSFFMW-YSTOQKLRSA-N 2 1 316.489 3.127 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146793 622833446 /nfs/dbraw/zinc/83/34/46/622833446.db2.gz XKLKGWHDTGMSRF-JKSUJKDBSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146793 622833450 /nfs/dbraw/zinc/83/34/50/622833450.db2.gz XKLKGWHDTGMSRF-JKSUJKDBSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000872146793 622833455 /nfs/dbraw/zinc/83/34/55/622833455.db2.gz XKLKGWHDTGMSRF-JKSUJKDBSA-N 2 1 304.482 3.102 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)CCCCCC[NH3+])cc(=O)oc2c1C ZINC000872155107 622834547 /nfs/dbraw/zinc/83/45/47/622834547.db2.gz CGYXCVYMINJIEO-UHFFFAOYSA-N 2 1 316.445 3.361 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158011 622839908 /nfs/dbraw/zinc/83/99/08/622839908.db2.gz RMVHAFAZYWKSQV-MJGOQNOKSA-N 2 1 318.509 3.120 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200229 622865533 /nfs/dbraw/zinc/86/55/33/622865533.db2.gz QAUANGCCOLIARR-QAPCUYQASA-N 2 1 322.880 3.037 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200229 622865536 /nfs/dbraw/zinc/86/55/36/622865536.db2.gz QAUANGCCOLIARR-QAPCUYQASA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200229 622865539 /nfs/dbraw/zinc/86/55/39/622865539.db2.gz QAUANGCCOLIARR-QAPCUYQASA-N 2 1 322.880 3.037 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772200229 622865540 /nfs/dbraw/zinc/86/55/40/622865540.db2.gz QAUANGCCOLIARR-QAPCUYQASA-N 2 1 322.880 3.037 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1F ZINC000873201796 623073558 /nfs/dbraw/zinc/07/35/58/623073558.db2.gz XGVOXTGCXJYCIO-UHFFFAOYSA-N 2 1 320.433 3.174 20 0 DGADMP c1c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000873208649 623075400 /nfs/dbraw/zinc/07/54/00/623075400.db2.gz ZOPWMMUVQUZWLF-HOCLYGCPSA-N 2 1 308.516 3.254 20 0 DGADMP C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210598 623075525 /nfs/dbraw/zinc/07/55/25/623075525.db2.gz LJEYYEIILMYBSP-CYBMUJFWSA-N 2 1 314.454 3.177 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000873223713 623079935 /nfs/dbraw/zinc/07/99/35/623079935.db2.gz RFWFEISPPDCUIR-KRWDZBQOSA-N 2 1 318.490 3.131 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000873223137 623080052 /nfs/dbraw/zinc/08/00/52/623080052.db2.gz IFSMTBFJCGMRAX-IBGZPJMESA-N 2 1 312.461 3.274 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000873223137 623080063 /nfs/dbraw/zinc/08/00/63/623080063.db2.gz IFSMTBFJCGMRAX-IBGZPJMESA-N 2 1 312.461 3.274 20 0 DGADMP CCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873227110 623081589 /nfs/dbraw/zinc/08/15/89/623081589.db2.gz HENGGNQITGXSLS-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873227110 623081592 /nfs/dbraw/zinc/08/15/92/623081592.db2.gz HENGGNQITGXSLS-HIFRSBDPSA-N 2 1 316.367 3.044 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000873229102 623083212 /nfs/dbraw/zinc/08/32/12/623083212.db2.gz XBXYZYKKVPYHLH-YPMHNXCESA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000873229102 623083213 /nfs/dbraw/zinc/08/32/13/623083213.db2.gz XBXYZYKKVPYHLH-YPMHNXCESA-N 2 1 314.376 3.470 20 0 DGADMP Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232822 623085576 /nfs/dbraw/zinc/08/55/76/623085576.db2.gz YYUCZGIHNLJTQD-XJKSGUPXSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232822 623085581 /nfs/dbraw/zinc/08/55/81/623085581.db2.gz YYUCZGIHNLJTQD-XJKSGUPXSA-N 2 1 324.900 3.193 20 0 DGADMP CCn1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232695 623086068 /nfs/dbraw/zinc/08/60/68/623086068.db2.gz WTXVTCOBKVVIMR-CRAIPNDOSA-N 2 1 304.482 3.023 20 0 DGADMP CCn1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232696 623086200 /nfs/dbraw/zinc/08/62/00/623086200.db2.gz WTXVTCOBKVVIMR-MAUKXSAKSA-N 2 1 304.482 3.023 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000873242118 623088826 /nfs/dbraw/zinc/08/88/26/623088826.db2.gz LXAPKJLPCDKQCV-MOPGFXCFSA-N 3 1 301.478 3.231 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000873242118 623088832 /nfs/dbraw/zinc/08/88/32/623088832.db2.gz LXAPKJLPCDKQCV-MOPGFXCFSA-N 2 1 301.478 3.231 20 0 DGADMP CC(C)OCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774142583 623111826 /nfs/dbraw/zinc/11/18/26/623111826.db2.gz ZRDUTNFRLVQXJO-YQQQUEKLSA-N 2 1 302.462 3.326 20 0 DGADMP CSCc1cc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774223095 623122172 /nfs/dbraw/zinc/12/21/72/623122172.db2.gz IYRCEWKYIXTFGZ-ALOPSCKCSA-N 2 1 308.466 3.404 20 0 DGADMP CSCc1cc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774223095 623122176 /nfs/dbraw/zinc/12/21/76/623122176.db2.gz IYRCEWKYIXTFGZ-ALOPSCKCSA-N 2 1 308.466 3.404 20 0 DGADMP C[NH+](C)CCCOc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000774352989 623135661 /nfs/dbraw/zinc/13/56/61/623135661.db2.gz MFEPOTZSARRUBV-AYHJJNSGSA-N 2 1 317.477 3.054 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000774408991 623141194 /nfs/dbraw/zinc/14/11/94/623141194.db2.gz LAQWQTAKCGWHRJ-SLFFLAALSA-N 2 1 316.489 3.399 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000774408991 623141196 /nfs/dbraw/zinc/14/11/96/623141196.db2.gz LAQWQTAKCGWHRJ-SLFFLAALSA-N 2 1 316.489 3.399 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614255 623165457 /nfs/dbraw/zinc/16/54/57/623165457.db2.gz JCRODRXTZSPADQ-IAOVAPTHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614255 623165461 /nfs/dbraw/zinc/16/54/61/623165461.db2.gz JCRODRXTZSPADQ-IAOVAPTHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614255 623165466 /nfs/dbraw/zinc/16/54/66/623165466.db2.gz JCRODRXTZSPADQ-IAOVAPTHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000774614255 623165468 /nfs/dbraw/zinc/16/54/68/623165468.db2.gz JCRODRXTZSPADQ-IAOVAPTHSA-N 2 1 310.869 3.178 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000775004163 623215473 /nfs/dbraw/zinc/21/54/73/623215473.db2.gz BDQACGJIBOKVFP-WFASDCNBSA-N 2 1 311.267 3.330 20 0 DGADMP CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000775374272 623261221 /nfs/dbraw/zinc/26/12/21/623261221.db2.gz ABUHXKZMIYNIBW-SFHVURJKSA-N 2 1 318.505 3.266 20 0 DGADMP O[C@H](C[NH2+]C1(c2cccc(Cl)c2)CCCC1)C[NH+]1CCCC1 ZINC000775539392 623286555 /nfs/dbraw/zinc/28/65/55/623286555.db2.gz SFQMIKUMODLXPP-QGZVFWFLSA-N 2 1 322.880 3.156 20 0 DGADMP Cc1cc(C)cc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000876812366 623713301 /nfs/dbraw/zinc/71/33/01/623713301.db2.gz TTXQVRRJOVZMLN-SLFFLAALSA-N 2 1 316.489 3.029 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000876913762 623742965 /nfs/dbraw/zinc/74/29/65/623742965.db2.gz KSAKCXNNDJSRHN-MGPUTAFESA-N 2 1 304.415 3.175 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000877020505 623767901 /nfs/dbraw/zinc/76/79/01/623767901.db2.gz WFZPVJFRRUZALH-QYWGDWMGSA-N 2 1 318.442 3.419 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877027164 623768746 /nfs/dbraw/zinc/76/87/46/623768746.db2.gz KFKKSVYSOLGAQY-NZSAHSFTSA-N 2 1 302.462 3.105 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877027164 623768748 /nfs/dbraw/zinc/76/87/48/623768748.db2.gz KFKKSVYSOLGAQY-NZSAHSFTSA-N 2 1 302.462 3.105 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877073540 623784056 /nfs/dbraw/zinc/78/40/56/623784056.db2.gz NFTCOKZLLPFMCK-NEPJUHHUSA-N 2 1 307.825 3.444 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530323 623928213 /nfs/dbraw/zinc/92/82/13/623928213.db2.gz CSCXPTXVKBXAON-IUODEOHRSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530323 623928215 /nfs/dbraw/zinc/92/82/15/623928215.db2.gz CSCXPTXVKBXAON-IUODEOHRSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530323 623928223 /nfs/dbraw/zinc/92/82/23/623928223.db2.gz CSCXPTXVKBXAON-IUODEOHRSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530323 623928229 /nfs/dbraw/zinc/92/82/29/623928229.db2.gz CSCXPTXVKBXAON-IUODEOHRSA-N 2 1 319.836 3.397 20 0 DGADMP COCC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)CC1CC[NH+](C)CC1 ZINC000877665326 623984266 /nfs/dbraw/zinc/98/42/66/623984266.db2.gz QWBNLTUVSDMVIX-YJBOKZPZSA-N 2 1 320.477 3.193 20 0 DGADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000780851255 623989821 /nfs/dbraw/zinc/98/98/21/623989821.db2.gz KWEFWVAEORUQMK-HZSPNIEDSA-N 2 1 321.440 3.087 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742803 624014978 /nfs/dbraw/zinc/01/49/78/624014978.db2.gz REGZPFUABCUEFE-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742803 624014983 /nfs/dbraw/zinc/01/49/83/624014983.db2.gz REGZPFUABCUEFE-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742803 624014985 /nfs/dbraw/zinc/01/49/85/624014985.db2.gz REGZPFUABCUEFE-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742803 624014987 /nfs/dbraw/zinc/01/49/87/624014987.db2.gz REGZPFUABCUEFE-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP CC[C@@H]1C[C@H](C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CCO1 ZINC000877767411 624028623 /nfs/dbraw/zinc/02/86/23/624028623.db2.gz HLTANADKGBQIQC-RTBURBONSA-N 2 1 310.526 3.491 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417137 624068865 /nfs/dbraw/zinc/06/88/65/624068865.db2.gz SQBKVCWSRFANQU-UKRRQHHQSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417137 624068868 /nfs/dbraw/zinc/06/88/68/624068868.db2.gz SQBKVCWSRFANQU-UKRRQHHQSA-N 2 1 307.869 3.478 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878047500 624148510 /nfs/dbraw/zinc/14/85/10/624148510.db2.gz IEPYJXWBUKOKEX-UHFFFAOYSA-N 2 1 305.466 3.106 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878047500 624148511 /nfs/dbraw/zinc/14/85/11/624148511.db2.gz IEPYJXWBUKOKEX-UHFFFAOYSA-N 2 1 305.466 3.106 20 0 DGADMP CC(C)[C@H](O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000878173075 624201937 /nfs/dbraw/zinc/20/19/37/624201937.db2.gz QNZVYEVFFPEXLM-MISYRCLQSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000878173075 624201938 /nfs/dbraw/zinc/20/19/38/624201938.db2.gz QNZVYEVFFPEXLM-MISYRCLQSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000878173075 624201940 /nfs/dbraw/zinc/20/19/40/624201940.db2.gz QNZVYEVFFPEXLM-MISYRCLQSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000878173075 624201942 /nfs/dbraw/zinc/20/19/42/624201942.db2.gz QNZVYEVFFPEXLM-MISYRCLQSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000878173077 624202082 /nfs/dbraw/zinc/20/20/82/624202082.db2.gz QNZVYEVFFPEXLM-YZGWKJHDSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000878173077 624202085 /nfs/dbraw/zinc/20/20/85/624202085.db2.gz QNZVYEVFFPEXLM-YZGWKJHDSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000878173077 624202087 /nfs/dbraw/zinc/20/20/87/624202087.db2.gz QNZVYEVFFPEXLM-YZGWKJHDSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000878173077 624202089 /nfs/dbraw/zinc/20/20/89/624202089.db2.gz QNZVYEVFFPEXLM-YZGWKJHDSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173074 624202122 /nfs/dbraw/zinc/20/21/22/624202122.db2.gz QNZVYEVFFPEXLM-DFQSSKMNSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173074 624202124 /nfs/dbraw/zinc/20/21/24/624202124.db2.gz QNZVYEVFFPEXLM-DFQSSKMNSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173074 624202126 /nfs/dbraw/zinc/20/21/26/624202126.db2.gz QNZVYEVFFPEXLM-DFQSSKMNSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173074 624202129 /nfs/dbraw/zinc/20/21/29/624202129.db2.gz QNZVYEVFFPEXLM-DFQSSKMNSA-N 2 1 318.505 3.378 20 0 DGADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)OC1 ZINC000878285603 624235833 /nfs/dbraw/zinc/23/58/33/624235833.db2.gz CYJQJEVKUJZKQD-CGTJXYLNSA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)OC1 ZINC000878285603 624235834 /nfs/dbraw/zinc/23/58/34/624235834.db2.gz CYJQJEVKUJZKQD-CGTJXYLNSA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)OC1 ZINC000878285603 624235837 /nfs/dbraw/zinc/23/58/37/624235837.db2.gz CYJQJEVKUJZKQD-CGTJXYLNSA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC3(CCC3)O2)cc1 ZINC000878314856 624243616 /nfs/dbraw/zinc/24/36/16/624243616.db2.gz YGJCNLBQFGYDOA-GOSISDBHSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412231 624271152 /nfs/dbraw/zinc/27/11/52/624271152.db2.gz TXFYTJVZFVUSCE-JZXOWHBKSA-N 2 1 306.494 3.331 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000783492377 624358217 /nfs/dbraw/zinc/35/82/17/624358217.db2.gz IVAZQNPNEDXFLK-LPHOPBHVSA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000783492377 624358219 /nfs/dbraw/zinc/35/82/19/624358219.db2.gz IVAZQNPNEDXFLK-LPHOPBHVSA-N 2 1 320.477 3.222 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000783492377 624358222 /nfs/dbraw/zinc/35/82/22/624358222.db2.gz IVAZQNPNEDXFLK-LPHOPBHVSA-N 2 1 320.477 3.222 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245445 624459734 /nfs/dbraw/zinc/45/97/34/624459734.db2.gz XVXYWWNTNKVBSR-OALUTQOASA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245445 624459736 /nfs/dbraw/zinc/45/97/36/624459736.db2.gz XVXYWWNTNKVBSR-OALUTQOASA-N 2 1 313.445 3.170 20 0 DGADMP CO[C@H](C)c1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cs1 ZINC000879247628 624463509 /nfs/dbraw/zinc/46/35/09/624463509.db2.gz FKIFEWNMEHSKRY-CQSZACIVSA-N 2 1 323.506 3.158 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000879287224 624484035 /nfs/dbraw/zinc/48/40/35/624484035.db2.gz MUYAPVTZTZPEAO-SFHVURJKSA-N 2 1 304.478 3.143 20 0 DGADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879568731 624594248 /nfs/dbraw/zinc/59/42/48/624594248.db2.gz CMGLTURAJGEAGR-PKOBYXMFSA-N 2 1 302.462 3.098 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1ccccc1F)CC1CC[NH+](C)CC1 ZINC000879702130 624645232 /nfs/dbraw/zinc/64/52/32/624645232.db2.gz GVJHFZZXQAFCJM-IBGZPJMESA-N 2 1 322.468 3.159 20 0 DGADMP CC(C)Cc1noc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879702334 624645322 /nfs/dbraw/zinc/64/53/22/624645322.db2.gz KWBKRUJKOMFEEY-UHFFFAOYSA-N 2 1 322.497 3.068 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000879951331 624730770 /nfs/dbraw/zinc/73/07/70/624730770.db2.gz KZIGCMQTWHSBPR-OKZBNKHCSA-N 2 1 306.494 3.284 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCc1ccncc1)C2 ZINC000880020721 624757091 /nfs/dbraw/zinc/75/70/91/624757091.db2.gz NLPHRGQIWVTRKZ-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCc1ccncc1)C2 ZINC000880020721 624757096 /nfs/dbraw/zinc/75/70/96/624757096.db2.gz NLPHRGQIWVTRKZ-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@]12C[NH+](CCc3ccncc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880020721 624757101 /nfs/dbraw/zinc/75/71/01/624757101.db2.gz NLPHRGQIWVTRKZ-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@]12C[NH+](CCc3ccncc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880020721 624757109 /nfs/dbraw/zinc/75/71/09/624757109.db2.gz NLPHRGQIWVTRKZ-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000880022673 624758405 /nfs/dbraw/zinc/75/84/05/624758405.db2.gz VZXSAPSMBGLSAO-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCc1cccnc1)C2 ZINC000880022673 624758410 /nfs/dbraw/zinc/75/84/10/624758410.db2.gz VZXSAPSMBGLSAO-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@]12C[NH+](CCc3cccnc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022673 624758411 /nfs/dbraw/zinc/75/84/11/624758411.db2.gz VZXSAPSMBGLSAO-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP C[C@]12C[NH+](CCc3cccnc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022673 624758417 /nfs/dbraw/zinc/75/84/17/624758417.db2.gz VZXSAPSMBGLSAO-LEWJYISDSA-N 2 1 321.468 3.078 20 0 DGADMP CO[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022679 624758618 /nfs/dbraw/zinc/75/86/18/624758618.db2.gz WAKUNDUILBXOQA-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022679 624758622 /nfs/dbraw/zinc/75/86/22/624758622.db2.gz WAKUNDUILBXOQA-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022679 624758627 /nfs/dbraw/zinc/75/86/27/624758627.db2.gz WAKUNDUILBXOQA-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022679 624758631 /nfs/dbraw/zinc/75/86/31/624758631.db2.gz WAKUNDUILBXOQA-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCN1c1cc[nH+]cc1 ZINC000880260551 624874655 /nfs/dbraw/zinc/87/46/55/624874655.db2.gz QCKPQMUNHKNBLA-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000880261894 624876527 /nfs/dbraw/zinc/87/65/27/624876527.db2.gz ZQDDBTBOBPPVOB-MRXNPFEDSA-N 2 1 318.424 3.341 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552002 624976369 /nfs/dbraw/zinc/97/63/69/624976369.db2.gz NUZWPILSESJYFQ-GOSISDBHSA-N 2 1 310.445 3.066 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552002 624976372 /nfs/dbraw/zinc/97/63/72/624976372.db2.gz NUZWPILSESJYFQ-GOSISDBHSA-N 2 1 310.445 3.066 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000787423970 625008697 /nfs/dbraw/zinc/00/86/97/625008697.db2.gz OEAIKUZYFLUTMD-SFHVURJKSA-N 2 1 320.477 3.158 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000787423970 625008700 /nfs/dbraw/zinc/00/87/00/625008700.db2.gz OEAIKUZYFLUTMD-SFHVURJKSA-N 2 1 320.477 3.158 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000788484532 625195880 /nfs/dbraw/zinc/19/58/80/625195880.db2.gz ALTIQSMHVOYMRO-GOSISDBHSA-N 2 1 318.436 3.205 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882892051 625848572 /nfs/dbraw/zinc/84/85/72/625848572.db2.gz LONXPUIIKVYQKZ-AWEZNQCLSA-N 2 1 318.417 3.130 20 0 DGADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(F)c1 ZINC000796277463 626034905 /nfs/dbraw/zinc/03/49/05/626034905.db2.gz YUHABGBYZBOSKQ-LBPRGKRZSA-N 2 1 307.438 3.237 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCc3ccccc3C2)s1 ZINC000796310995 626037521 /nfs/dbraw/zinc/03/75/21/626037521.db2.gz OKARUXCTXLERJJ-CQSZACIVSA-N 2 1 315.486 3.099 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000796375530 626044375 /nfs/dbraw/zinc/04/43/75/626044375.db2.gz LNMFJNYVGMQNKX-AWEZNQCLSA-N 2 1 321.877 3.115 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nccn3-c3ccccc3)C2)CC1 ZINC000798956832 626262683 /nfs/dbraw/zinc/26/26/83/626262683.db2.gz CBBPILBWIDQXQG-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000799179836 626277717 /nfs/dbraw/zinc/27/77/17/626277717.db2.gz WNJSVOGXFPMBJB-UHFFFAOYSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCOc3cccc(F)c3)C2)CC1 ZINC000799178500 626278040 /nfs/dbraw/zinc/27/80/40/626278040.db2.gz XEYBMNMJINTWJZ-UHFFFAOYSA-N 2 1 306.425 3.012 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883315678 626644084 /nfs/dbraw/zinc/64/40/84/626644084.db2.gz UJZKVFWWUSYUJT-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883315678 626644085 /nfs/dbraw/zinc/64/40/85/626644085.db2.gz UJZKVFWWUSYUJT-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP c1ccc([C@H]2CC[C@H](C[N@@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416330 626677513 /nfs/dbraw/zinc/67/75/13/626677513.db2.gz RXZWGAPXJVMKSJ-RTBURBONSA-N 2 1 300.446 3.123 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883416400 626677624 /nfs/dbraw/zinc/67/76/24/626677624.db2.gz UDTDJPFXKOSKKT-UHOSZYNNSA-N 2 1 302.462 3.228 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883416402 626677630 /nfs/dbraw/zinc/67/76/30/626677630.db2.gz UDTDJPFXKOSKKT-YTQUADARSA-N 2 1 302.462 3.228 20 0 DGADMP CC[C@H]1C[N@H+](CCc2ccccc2Br)CC[C@H]1[NH3+] ZINC000883427339 626680356 /nfs/dbraw/zinc/68/03/56/626680356.db2.gz OKVVWOFVEFOBPC-SWLSCSKDSA-N 2 1 311.267 3.051 20 0 DGADMP CC[C@H]1C[N@@H+](CCc2ccccc2Br)CC[C@H]1[NH3+] ZINC000883427339 626680358 /nfs/dbraw/zinc/68/03/58/626680358.db2.gz OKVVWOFVEFOBPC-SWLSCSKDSA-N 2 1 311.267 3.051 20 0 DGADMP c1ccc([C@H]2CCC[C@H](C[NH+]3CCC4(CC[NH2+]4)CC3)O2)cc1 ZINC000883433634 626681235 /nfs/dbraw/zinc/68/12/35/626681235.db2.gz VIMVTSADQLLDQS-QZTJIDSGSA-N 2 1 300.446 3.125 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437869 626682123 /nfs/dbraw/zinc/68/21/23/626682123.db2.gz DCBMWGUJJPQXSS-WCIQWLHISA-N 2 1 314.473 3.228 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437869 626682124 /nfs/dbraw/zinc/68/21/24/626682124.db2.gz DCBMWGUJJPQXSS-WCIQWLHISA-N 2 1 314.473 3.228 20 0 DGADMP COc1ccsc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737043 626943631 /nfs/dbraw/zinc/94/36/31/626943631.db2.gz CDHXIYOHESVUFS-UHFFFAOYSA-N 2 1 304.459 3.450 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cnc1Cl ZINC000809755157 626947478 /nfs/dbraw/zinc/94/74/78/626947478.db2.gz GPTPEXBSHGWYHQ-INIZCTEOSA-N 2 1 307.869 3.207 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000810207979 626988136 /nfs/dbraw/zinc/98/81/36/626988136.db2.gz QGYFWWVZEPWZQF-GFCCVEGCSA-N 2 1 314.271 3.227 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000885916117 627059559 /nfs/dbraw/zinc/05/95/59/627059559.db2.gz OMSLNYAIZWRKES-UXHICEINSA-N 2 1 316.489 3.372 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000885916117 627059562 /nfs/dbraw/zinc/05/95/62/627059562.db2.gz OMSLNYAIZWRKES-UXHICEINSA-N 2 1 316.489 3.372 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000886032370 627088759 /nfs/dbraw/zinc/08/87/59/627088759.db2.gz DXGSJLZZYVAWHX-LNLFQRSKSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000886032370 627088762 /nfs/dbraw/zinc/08/87/62/627088762.db2.gz DXGSJLZZYVAWHX-LNLFQRSKSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000886032370 627088766 /nfs/dbraw/zinc/08/87/66/627088766.db2.gz DXGSJLZZYVAWHX-LNLFQRSKSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000886032370 627088768 /nfs/dbraw/zinc/08/87/68/627088768.db2.gz DXGSJLZZYVAWHX-LNLFQRSKSA-N 2 1 304.478 3.254 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000886032370 627088771 /nfs/dbraw/zinc/08/87/71/627088771.db2.gz DXGSJLZZYVAWHX-LNLFQRSKSA-N 2 1 304.478 3.254 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000886033516 627089394 /nfs/dbraw/zinc/08/93/94/627089394.db2.gz VWRKJSFRFOTCNQ-PKOBYXMFSA-N 2 1 304.478 3.113 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000886033516 627089397 /nfs/dbraw/zinc/08/93/97/627089397.db2.gz VWRKJSFRFOTCNQ-PKOBYXMFSA-N 2 1 304.478 3.113 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000886059941 627096630 /nfs/dbraw/zinc/09/66/30/627096630.db2.gz PLAISBPQLWUWHP-SJLPKXTDSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000886059941 627096631 /nfs/dbraw/zinc/09/66/31/627096631.db2.gz PLAISBPQLWUWHP-SJLPKXTDSA-N 2 1 312.461 3.027 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC000886092433 627101611 /nfs/dbraw/zinc/10/16/11/627101611.db2.gz WSGJROUIECEZIH-RTBURBONSA-N 2 1 302.462 3.138 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1)CC1CC1 ZINC000886102928 627105767 /nfs/dbraw/zinc/10/57/67/627105767.db2.gz UUIDWWGPEINNHR-UXHICEINSA-N 2 1 320.521 3.247 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)C(F)F)CC1)CC(C)C ZINC000886105326 627106355 /nfs/dbraw/zinc/10/63/55/627106355.db2.gz XPCXREWKYNENHG-KRWDZBQOSA-N 2 1 320.468 3.083 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000886142878 627111599 /nfs/dbraw/zinc/11/15/99/627111599.db2.gz NALTVSHQDPZOQD-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000886315558 627135708 /nfs/dbraw/zinc/13/57/08/627135708.db2.gz RXPXDQSKKCKLLR-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP CSC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000886321966 627136751 /nfs/dbraw/zinc/13/67/51/627136751.db2.gz FLIQPTYVQBCVAB-UHFFFAOYSA-N 2 1 313.536 3.360 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886636929 627177994 /nfs/dbraw/zinc/17/79/94/627177994.db2.gz YIUCILWRZSBBPZ-WPVAHCMFSA-N 2 1 314.473 3.197 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000886646448 627179539 /nfs/dbraw/zinc/17/95/39/627179539.db2.gz JMWUJWWJWUTKQN-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000886646448 627179542 /nfs/dbraw/zinc/17/95/42/627179542.db2.gz JMWUJWWJWUTKQN-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000886646448 627179544 /nfs/dbraw/zinc/17/95/44/627179544.db2.gz JMWUJWWJWUTKQN-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCC(C)(C)CO3)CC2)[nH+]c1C ZINC000886659704 627182664 /nfs/dbraw/zinc/18/26/64/627182664.db2.gz TUKNWLCSGRVCJI-INIZCTEOSA-N 2 1 305.466 3.411 20 0 DGADMP Cc1[nH]c(C2CC[NH+](Cc3cccc(N(C)C)c3)CC2)[nH+]c1C ZINC000886663195 627183763 /nfs/dbraw/zinc/18/37/63/627183763.db2.gz VRIRXZZCBFADPQ-UHFFFAOYSA-N 2 1 312.461 3.472 20 0 DGADMP Cc1[nH]c(C2CC[NH+](Cc3ccccc3N(C)C)CC2)[nH+]c1C ZINC000886665626 627184365 /nfs/dbraw/zinc/18/43/65/627184365.db2.gz CIUQQWJYHVSVAT-UHFFFAOYSA-N 2 1 312.461 3.472 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000886717896 627197226 /nfs/dbraw/zinc/19/72/26/627197226.db2.gz LKEXKXSPIMPVCZ-GOSISDBHSA-N 2 1 302.462 3.060 20 0 DGADMP C[NH+](CCCF)Cc1cc(C[N@@H+](C)CCCF)ccc1F ZINC000887142515 627229333 /nfs/dbraw/zinc/22/93/33/627229333.db2.gz NQSZXOLLGHTZSV-UHFFFAOYSA-N 2 1 302.384 3.409 20 0 DGADMP C[NH+](CCCF)Cc1ccc(F)c(C[N@H+](C)CCCF)c1 ZINC000887142515 627229336 /nfs/dbraw/zinc/22/93/36/627229336.db2.gz NQSZXOLLGHTZSV-UHFFFAOYSA-N 2 1 302.384 3.409 20 0 DGADMP C[NH+](CCCF)Cc1ccc(F)c(C[N@@H+](C)CCCF)c1 ZINC000887142515 627229337 /nfs/dbraw/zinc/22/93/37/627229337.db2.gz NQSZXOLLGHTZSV-UHFFFAOYSA-N 2 1 302.384 3.409 20 0 DGADMP Cc1n[nH]cc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790594 627512041 /nfs/dbraw/zinc/51/20/41/627512041.db2.gz SCWGSYCGYQCMLP-IHWFROFDSA-N 2 1 324.472 3.393 20 0 DGADMP Cc1n[nH]cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790594 627512047 /nfs/dbraw/zinc/51/20/47/627512047.db2.gz SCWGSYCGYQCMLP-IHWFROFDSA-N 2 1 324.472 3.393 20 0 DGADMP C[C@H](CCCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880631 627518460 /nfs/dbraw/zinc/51/84/60/627518460.db2.gz HMIRFDQLUZPGFF-VOBGVNJCSA-N 2 1 316.489 3.323 20 0 DGADMP C[N@@H+](C[C@H](O)c1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000815052847 627619421 /nfs/dbraw/zinc/61/94/21/627619421.db2.gz DLONTLXSKVSVEI-JXFKEZNVSA-N 2 1 312.457 3.147 20 0 DGADMP C[NH+](C[C@H](O)c1cccc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000815052847 627619426 /nfs/dbraw/zinc/61/94/26/627619426.db2.gz DLONTLXSKVSVEI-JXFKEZNVSA-N 2 1 312.457 3.147 20 0 DGADMP C[NH+](C[C@H](O)c1cccc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000815052847 627619428 /nfs/dbraw/zinc/61/94/28/627619428.db2.gz DLONTLXSKVSVEI-JXFKEZNVSA-N 2 1 312.457 3.147 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)CO1 ZINC000924527848 627645047 /nfs/dbraw/zinc/64/50/47/627645047.db2.gz CBBQLBYKVMLFDS-PBPGXSGUSA-N 2 1 314.473 3.198 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)on1 ZINC000924582356 627652125 /nfs/dbraw/zinc/65/21/25/627652125.db2.gz KKIKPGIIFQPVBY-CQSZACIVSA-N 2 1 315.417 3.130 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cn(C)cn1 ZINC000924587870 627653383 /nfs/dbraw/zinc/65/33/83/627653383.db2.gz XCXBXSVNTAASMK-MRXNPFEDSA-N 2 1 312.461 3.257 20 0 DGADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000924684754 627667094 /nfs/dbraw/zinc/66/70/94/627667094.db2.gz FPSXUVGUDMLRTB-GOEBONIOSA-N 2 1 305.466 3.462 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000924687825 627668181 /nfs/dbraw/zinc/66/81/81/627668181.db2.gz QBAPKDMUYMYLPV-CEXWTWQISA-N 2 1 310.526 3.419 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924693627 627668813 /nfs/dbraw/zinc/66/88/13/627668813.db2.gz FACJCWNKDOLYJT-IPMKNSEASA-N 2 1 308.510 3.292 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000924705053 627670754 /nfs/dbraw/zinc/67/07/54/627670754.db2.gz KFZLMXDYSGHPEA-LEWJYISDSA-N 2 1 323.484 3.167 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924717058 627672673 /nfs/dbraw/zinc/67/26/73/627672673.db2.gz SSTNKLOMSOZHKT-CQSZACIVSA-N 2 1 301.434 3.160 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924751154 627676784 /nfs/dbraw/zinc/67/67/84/627676784.db2.gz JYECBOUKMWJPBN-AOIWGVFYSA-N 2 1 301.478 3.114 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000815579634 627686900 /nfs/dbraw/zinc/68/69/00/627686900.db2.gz ROYDZSTURDNUHH-MAUKXSAKSA-N 2 1 320.452 3.428 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000815579091 627686991 /nfs/dbraw/zinc/68/69/91/627686991.db2.gz DYWDRCMPOLRXMG-MSOLQXFVSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924954777 627697480 /nfs/dbraw/zinc/69/74/80/627697480.db2.gz WZRBHTAEDLZXQU-UONOGXRCSA-N 2 1 301.438 3.100 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925134906 627711977 /nfs/dbraw/zinc/71/19/77/627711977.db2.gz UDZICFITMBJBRA-UHFFFAOYSA-N 3 1 306.498 3.072 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CC[NH2+]C3(C)C)s2)cs1 ZINC000925524504 627747166 /nfs/dbraw/zinc/74/71/66/627747166.db2.gz UNYRQMZRAFUPCQ-OAHLLOKOSA-N 2 1 321.515 3.453 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)C12CCC2 ZINC000925530579 627749026 /nfs/dbraw/zinc/74/90/26/627749026.db2.gz FGQVMWDNKUXXPS-DLBZAZTESA-N 2 1 309.413 3.233 20 0 DGADMP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925533737 627749654 /nfs/dbraw/zinc/74/96/54/627749654.db2.gz OYQVCAHKNIXXJG-UXHICEINSA-N 2 1 324.472 3.130 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925554316 627753495 /nfs/dbraw/zinc/75/34/95/627753495.db2.gz XYDNFKKNGAFJFR-RLLQIKCJSA-N 3 1 321.553 3.256 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000925589366 627760164 /nfs/dbraw/zinc/76/01/64/627760164.db2.gz XTVPSHJLNNFCPD-LJQANCHMSA-N 2 1 323.569 3.455 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000925589366 627760169 /nfs/dbraw/zinc/76/01/69/627760169.db2.gz XTVPSHJLNNFCPD-LJQANCHMSA-N 3 1 323.569 3.455 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000925589366 627760171 /nfs/dbraw/zinc/76/01/71/627760171.db2.gz XTVPSHJLNNFCPD-LJQANCHMSA-N 3 1 323.569 3.455 20 0 DGADMP Cc1sc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)nc1-c1ccccc1 ZINC000925589335 627760182 /nfs/dbraw/zinc/76/01/82/627760182.db2.gz XIHSEKYBRYCZDY-XJKSGUPXSA-N 2 1 315.486 3.391 20 0 DGADMP c1ccc(COCCC2([NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925636017 627765889 /nfs/dbraw/zinc/76/58/89/627765889.db2.gz YSKIXEGTQFOWCY-QGZVFWFLSA-N 2 1 300.446 3.000 20 0 DGADMP FC1(c2cccc(Cl)c2)CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925657461 627772035 /nfs/dbraw/zinc/77/20/35/627772035.db2.gz SPSHFHPQINSOEM-MWEPSQFLSA-N 2 1 320.839 3.253 20 0 DGADMP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)[nH]1 ZINC000925658918 627772110 /nfs/dbraw/zinc/77/21/10/627772110.db2.gz KKRBSSFLHQKFJA-KGLIPLIRSA-N 2 1 315.465 3.402 20 0 DGADMP c1cc2c(nc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCCC2 ZINC000925660729 627772765 /nfs/dbraw/zinc/77/27/65/627772765.db2.gz SYNFDCMWGKKQKZ-UYAOXDASSA-N 2 1 313.489 3.218 20 0 DGADMP [NH3+]CCC[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707690 627779141 /nfs/dbraw/zinc/77/91/41/627779141.db2.gz QMBMNHDSCVQLHA-AZUAARDMSA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCC[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707690 627779145 /nfs/dbraw/zinc/77/91/45/627779145.db2.gz QMBMNHDSCVQLHA-AZUAARDMSA-N 2 1 315.505 3.463 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000925723305 627781946 /nfs/dbraw/zinc/78/19/46/627781946.db2.gz URNQZRXKBITFIS-APWZRJJASA-N 2 1 303.494 3.175 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000925741755 627785820 /nfs/dbraw/zinc/78/58/20/627785820.db2.gz MHIRGCQRBHQHKP-GBESFXJTSA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000925741755 627785822 /nfs/dbraw/zinc/78/58/22/627785822.db2.gz MHIRGCQRBHQHKP-GBESFXJTSA-N 3 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000925741755 627785825 /nfs/dbraw/zinc/78/58/25/627785825.db2.gz MHIRGCQRBHQHKP-GBESFXJTSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]([N@H+]1CCc2sc(C[NH3+])nc2C1)C(C)(C)c1ccccc1 ZINC000925747428 627786532 /nfs/dbraw/zinc/78/65/32/627786532.db2.gz HZGDCJULHUUIBK-CYBMUJFWSA-N 2 1 315.486 3.326 20 0 DGADMP Fc1cc(F)cc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000925759430 627789889 /nfs/dbraw/zinc/78/98/89/627789889.db2.gz OIWMJLIDJHNGHT-UEKVPHQBSA-N 2 1 316.342 3.034 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cnc2ccsc2c1 ZINC000925783453 627794297 /nfs/dbraw/zinc/79/42/97/627794297.db2.gz OSOGVFZCSGNUFA-CMPLNLGQSA-N 2 1 311.401 3.192 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000925782410 627794333 /nfs/dbraw/zinc/79/43/33/627794333.db2.gz LOTJJHLLGDDIJX-QMTHXVAHSA-N 2 1 300.780 3.162 20 0 DGADMP C[C@@H](N)[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819894 627799564 /nfs/dbraw/zinc/79/95/64/627799564.db2.gz ARPVSBUPZHZHAQ-IHJVYAAUSA-N 2 1 315.505 3.462 20 0 DGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1OC(F)F ZINC000925842885 627804049 /nfs/dbraw/zinc/80/40/49/627804049.db2.gz OFAUEYHJGMLFIB-SRCQZFHVSA-N 2 1 310.388 3.471 20 0 DGADMP c1c[nH]c([C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C2CCCCC2)n1 ZINC000925842156 627804388 /nfs/dbraw/zinc/80/43/88/627804388.db2.gz XHKDCIGOCFOAMA-SOLBZPMBSA-N 2 1 302.466 3.153 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925845162 627804979 /nfs/dbraw/zinc/80/49/79/627804979.db2.gz XIKWEUGJMALMHA-IJXRJRJASA-N 3 1 319.537 3.151 20 0 DGADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1csc(Cl)c1 ZINC000925845349 627805307 /nfs/dbraw/zinc/80/53/07/627805307.db2.gz GIRWFZNKGLPDPY-ZDUSSCGKSA-N 2 1 315.914 3.128 20 0 DGADMP Cc1cc(C)cc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)c1 ZINC000926203339 627860624 /nfs/dbraw/zinc/86/06/24/627860624.db2.gz JZUOQYBVFCZRKK-FQEVSTJZSA-N 2 1 320.440 3.354 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc2ccccc21 ZINC000926205242 627861194 /nfs/dbraw/zinc/86/11/94/627861194.db2.gz YCGMHOJZTDFJAV-AWEZNQCLSA-N 2 1 309.413 3.475 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000926288440 627874798 /nfs/dbraw/zinc/87/47/98/627874798.db2.gz VITLTBKDDAJTHJ-JKSUJKDBSA-N 2 1 315.461 3.319 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326185 627879930 /nfs/dbraw/zinc/87/99/30/627879930.db2.gz PLQJXYWJFFIBTR-HKUYNNGSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457440 627898979 /nfs/dbraw/zinc/89/89/79/627898979.db2.gz PRFZSLLSIJQMIJ-PKOBYXMFSA-N 2 1 324.472 3.430 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926457440 627898981 /nfs/dbraw/zinc/89/89/81/627898981.db2.gz PRFZSLLSIJQMIJ-PKOBYXMFSA-N 2 1 324.472 3.430 20 0 DGADMP CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926532510 627909627 /nfs/dbraw/zinc/90/96/27/627909627.db2.gz MLAALILFWBAKAJ-CABCVRRESA-N 2 1 300.450 3.376 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926571683 627916574 /nfs/dbraw/zinc/91/65/74/627916574.db2.gz AFQIYCDPSIHNSX-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H](C)O)CC1 ZINC000926731749 627942615 /nfs/dbraw/zinc/94/26/15/627942615.db2.gz LUJSAGQEMRPZCS-APWZRJJASA-N 2 1 304.478 3.209 20 0 DGADMP Clc1ccnc2c1CC[C@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737933 627943179 /nfs/dbraw/zinc/94/31/79/627943179.db2.gz HSSAFMCVIXZNAC-WMLDXEAASA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737933 627943182 /nfs/dbraw/zinc/94/31/82/627943182.db2.gz HSSAFMCVIXZNAC-WMLDXEAASA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737933 627943185 /nfs/dbraw/zinc/94/31/85/627943185.db2.gz HSSAFMCVIXZNAC-WMLDXEAASA-N 2 1 319.880 3.434 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739452 627944301 /nfs/dbraw/zinc/94/43/01/627944301.db2.gz SFSKOYQUTGBEIX-WBVHZDCISA-N 2 1 316.493 3.381 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C1CCC1 ZINC000926739452 627944305 /nfs/dbraw/zinc/94/43/05/627944305.db2.gz SFSKOYQUTGBEIX-WBVHZDCISA-N 2 1 316.493 3.381 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897860 627955130 /nfs/dbraw/zinc/95/51/30/627955130.db2.gz XHECWVQBMNHCSS-LNLFQRSKSA-N 2 1 301.478 3.084 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817896849 627955654 /nfs/dbraw/zinc/95/56/54/627955654.db2.gz WVUJIZJZANLACN-ILXRZTDVSA-N 2 1 317.260 3.276 20 0 DGADMP C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926804463 627958374 /nfs/dbraw/zinc/95/83/74/627958374.db2.gz ZKNBCONPHFAQKG-GFCCVEGCSA-N 2 1 322.403 3.270 20 0 DGADMP C[C@H]([NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1C[NH2+]C1 ZINC000817910410 627959241 /nfs/dbraw/zinc/95/92/41/627959241.db2.gz GEIKDHIRONZJDP-YCRPNKLZSA-N 2 1 322.452 3.299 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC000817922561 627962431 /nfs/dbraw/zinc/96/24/31/627962431.db2.gz YSCHMZFPJCLURR-VUCTXSBTSA-N 2 1 315.486 3.377 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC000817927353 627964233 /nfs/dbraw/zinc/96/42/33/627964233.db2.gz JXJSBMMBNLRYRW-BRWVUGGUSA-N 2 1 320.795 3.247 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817931938 627965227 /nfs/dbraw/zinc/96/52/27/627965227.db2.gz PHTPLYKLHGHULH-RTBURBONSA-N 2 1 324.424 3.013 20 0 DGADMP Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817933105 627965805 /nfs/dbraw/zinc/96/58/05/627965805.db2.gz YIJYSZHTWPRHKK-NSHDSACASA-N 2 1 304.825 3.056 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817936017 627966559 /nfs/dbraw/zinc/96/65/59/627966559.db2.gz LRAAFFBUGDMVTN-OAHLLOKOSA-N 2 1 315.461 3.126 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000926894156 627973858 /nfs/dbraw/zinc/97/38/58/627973858.db2.gz WAFBSNOVCMAZCD-RARDXLECSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000926894156 627973862 /nfs/dbraw/zinc/97/38/62/627973862.db2.gz WAFBSNOVCMAZCD-RARDXLECSA-N 2 1 313.489 3.037 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000817961330 627975922 /nfs/dbraw/zinc/97/59/22/627975922.db2.gz XKCVYLJUKNBSAD-IOJLRTSASA-N 2 1 316.489 3.267 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817959982 627976303 /nfs/dbraw/zinc/97/63/03/627976303.db2.gz JPHHVKUTQABUCD-CQSZACIVSA-N 2 1 319.449 3.201 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817963984 627976899 /nfs/dbraw/zinc/97/68/99/627976899.db2.gz ZTTDDLPHWLGDKX-ZBFHGGJFSA-N 2 1 319.449 3.201 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000926923197 627982026 /nfs/dbraw/zinc/98/20/26/627982026.db2.gz OJKHKNSKTCNDMD-YZGWKJHDSA-N 2 1 309.457 3.240 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cnn1-c1ccccc1 ZINC000817983141 627983135 /nfs/dbraw/zinc/98/31/35/627983135.db2.gz YUVUKFFYIQWXPR-LIRRHRJNSA-N 2 1 312.461 3.349 20 0 DGADMP CCC[C@@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000927018919 627999162 /nfs/dbraw/zinc/99/91/62/627999162.db2.gz BUENENHVTHDADM-YSTOQKLRSA-N 2 1 316.489 3.038 20 0 DGADMP COC(OC)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000818196547 628003491 /nfs/dbraw/zinc/00/34/91/628003491.db2.gz YVPUGKDFGNQVEH-CVEARBPZSA-N 2 1 324.440 3.080 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)nc(Cl)c1)CC[NH2+]CC2 ZINC000818340363 628015937 /nfs/dbraw/zinc/01/59/37/628015937.db2.gz LFDQKLUVTJRGJR-NSHDSACASA-N 2 1 314.260 3.352 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)[C@@H]2CCC[C@@H]21 ZINC000927121375 628020820 /nfs/dbraw/zinc/02/08/20/628020820.db2.gz URNASAXFMOOSFN-MUGJNUQGSA-N 2 1 314.473 3.155 20 0 DGADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000818959272 628067205 /nfs/dbraw/zinc/06/72/05/628067205.db2.gz HCFZPCQXOZAFCJ-HNAYVOBHSA-N 2 1 322.468 3.269 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000818961026 628068225 /nfs/dbraw/zinc/06/82/25/628068225.db2.gz NJNWTNALIGDJCJ-FCEWJHQRSA-N 2 1 322.468 3.207 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000818980392 628072667 /nfs/dbraw/zinc/07/26/67/628072667.db2.gz JPNSOSHGKNEIPZ-JXFKEZNVSA-N 2 1 312.457 3.195 20 0 DGADMP c1ccc2[nH]c(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)nc2c1 ZINC000820809089 628298942 /nfs/dbraw/zinc/29/89/42/628298942.db2.gz UBYNAZUOUPPPIB-ZXFUBFMLSA-N 2 1 324.472 3.243 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCCC2 ZINC000820812871 628299520 /nfs/dbraw/zinc/29/95/20/628299520.db2.gz UPHYLZXTSYZHQL-MSEHENTLSA-N 2 1 318.505 3.472 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000821368207 628360457 /nfs/dbraw/zinc/36/04/57/628360457.db2.gz LZVIMMZATVNPDG-UXHICEINSA-N 2 1 316.489 3.398 20 0 DGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000822476580 628455884 /nfs/dbraw/zinc/45/58/84/628455884.db2.gz PPYSAGKOXCJHDV-KURKYZTESA-N 2 1 304.503 3.382 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659326 628475845 /nfs/dbraw/zinc/47/58/45/628475845.db2.gz OQQPWGYFOPBREW-KBPBESRZSA-N 2 1 323.308 3.003 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824968164 628711899 /nfs/dbraw/zinc/71/18/99/628711899.db2.gz AVZXHCMXVPKNRU-ZDUSSCGKSA-N 2 1 302.249 3.211 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029068 629218846 /nfs/dbraw/zinc/21/88/46/629218846.db2.gz WTJJVOUVSAWGOX-IBGZPJMESA-N 2 1 300.446 3.146 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029068 629218849 /nfs/dbraw/zinc/21/88/49/629218849.db2.gz WTJJVOUVSAWGOX-IBGZPJMESA-N 2 1 300.446 3.146 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029068 629218853 /nfs/dbraw/zinc/21/88/53/629218853.db2.gz WTJJVOUVSAWGOX-IBGZPJMESA-N 2 1 300.446 3.146 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3OC3CC3)C2)C1 ZINC000830029068 629218855 /nfs/dbraw/zinc/21/88/55/629218855.db2.gz WTJJVOUVSAWGOX-IBGZPJMESA-N 2 1 300.446 3.146 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]1 ZINC000841009752 630395423 /nfs/dbraw/zinc/39/54/23/630395423.db2.gz SSMQLFSCFIUJNF-LTDCPUDJSA-N 2 1 320.452 3.102 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841028065 630397970 /nfs/dbraw/zinc/39/79/70/630397970.db2.gz KREUOUPUUAHTDJ-OWCLPIDISA-N 2 1 314.564 3.268 20 0 DGADMP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841051686 630402474 /nfs/dbraw/zinc/40/24/74/630402474.db2.gz QJKIOWYQIBABDE-ZDUSSCGKSA-N 2 1 320.868 3.476 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000842471457 630538717 /nfs/dbraw/zinc/53/87/17/630538717.db2.gz CEVYLDIWXZUXSM-QAPCUYQASA-N 2 1 310.441 3.357 20 0 DGADMP CC[N@@H+](CCCCCCC[NH3+])[C@H]1CCN(c2ccccc2)C1=O ZINC000842473273 630539381 /nfs/dbraw/zinc/53/93/81/630539381.db2.gz SKLOFPDIVSSATN-SFHVURJKSA-N 2 1 317.477 3.023 20 0 DGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842687448 630563182 /nfs/dbraw/zinc/56/31/82/630563182.db2.gz YPLXESAIFJOAOM-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842687448 630563184 /nfs/dbraw/zinc/56/31/84/630563184.db2.gz YPLXESAIFJOAOM-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697197 630564804 /nfs/dbraw/zinc/56/48/04/630564804.db2.gz ONOJKMMJXCKUDD-MOPGFXCFSA-N 2 1 312.457 3.466 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC=CO3)CC23CC3)cc1 ZINC000842697197 630564805 /nfs/dbraw/zinc/56/48/05/630564805.db2.gz ONOJKMMJXCKUDD-MOPGFXCFSA-N 2 1 312.457 3.466 20 0 DGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000843129889 630617811 /nfs/dbraw/zinc/61/78/11/630617811.db2.gz SRUXGHXHTFBVOU-STQMWFEESA-N 2 1 320.868 3.109 20 0 DGADMP CC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000843200417 630633232 /nfs/dbraw/zinc/63/32/32/630633232.db2.gz OCBZODLFJPFTQE-INIZCTEOSA-N 2 1 314.433 3.378 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000843346195 630648396 /nfs/dbraw/zinc/64/83/96/630648396.db2.gz DUHMFUCETFINDJ-CQSZACIVSA-N 2 1 300.368 3.309 20 0 DGADMP Cc1ccc2c(C[N@H+](C)C3CCC([NH3+])CC3)cc(=O)oc2c1C ZINC000843354563 630648919 /nfs/dbraw/zinc/64/89/19/630648919.db2.gz CPSCVRUFAFCDNW-UHFFFAOYSA-N 2 1 314.429 3.112 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCCCCO ZINC000843376421 630650943 /nfs/dbraw/zinc/65/09/43/630650943.db2.gz IAXLHYNMKVMDCY-WOJBJXKFSA-N 2 1 318.505 3.211 20 0 DGADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000843377747 630651112 /nfs/dbraw/zinc/65/11/12/630651112.db2.gz JARNOSZCDAEVIR-JKSUJKDBSA-N 2 1 317.477 3.199 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)C3CCC([NH3+])CC3)cc2)n1 ZINC000844220891 630712763 /nfs/dbraw/zinc/71/27/63/630712763.db2.gz OCOFGGAZGHAUDV-UHFFFAOYSA-N 2 1 312.461 3.191 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844375866 630722619 /nfs/dbraw/zinc/72/26/19/630722619.db2.gz QUJYRONBXMIDAP-QZTJIDSGSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844375866 630722620 /nfs/dbraw/zinc/72/26/20/630722620.db2.gz QUJYRONBXMIDAP-QZTJIDSGSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844375866 630722622 /nfs/dbraw/zinc/72/26/22/630722622.db2.gz QUJYRONBXMIDAP-QZTJIDSGSA-N 2 1 322.880 3.108 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110665 631210203 /nfs/dbraw/zinc/21/02/03/631210203.db2.gz IEIBYLYICHGWDL-IYBDPMFKSA-N 2 1 308.416 3.342 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110665 631210204 /nfs/dbraw/zinc/21/02/04/631210204.db2.gz IEIBYLYICHGWDL-IYBDPMFKSA-N 2 1 308.416 3.342 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110665 631210205 /nfs/dbraw/zinc/21/02/05/631210205.db2.gz IEIBYLYICHGWDL-IYBDPMFKSA-N 2 1 308.416 3.342 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110665 631210207 /nfs/dbraw/zinc/21/02/07/631210207.db2.gz IEIBYLYICHGWDL-IYBDPMFKSA-N 2 1 308.416 3.342 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000846219864 631215354 /nfs/dbraw/zinc/21/53/54/631215354.db2.gz ADZLXCUIZSBNNA-AZUAARDMSA-N 2 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000846219864 631215356 /nfs/dbraw/zinc/21/53/56/631215356.db2.gz ADZLXCUIZSBNNA-AZUAARDMSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000846219864 631215357 /nfs/dbraw/zinc/21/53/57/631215357.db2.gz ADZLXCUIZSBNNA-AZUAARDMSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219864 631215359 /nfs/dbraw/zinc/21/53/59/631215359.db2.gz ADZLXCUIZSBNNA-AZUAARDMSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219864 631215360 /nfs/dbraw/zinc/21/53/60/631215360.db2.gz ADZLXCUIZSBNNA-AZUAARDMSA-N 3 1 317.521 3.490 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H](O)c1ccc(C)cc1 ZINC000846219336 631215566 /nfs/dbraw/zinc/21/55/66/631215566.db2.gz ORKHPMJYKMXBBH-NRFANRHFSA-N 2 1 324.468 3.196 20 0 DGADMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCCC[C@H]1C ZINC000848987227 631797987 /nfs/dbraw/zinc/79/79/87/631797987.db2.gz NIHNKIXWJZTHTJ-NEPJUHHUSA-N 2 1 310.392 3.164 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996139 631801547 /nfs/dbraw/zinc/80/15/47/631801547.db2.gz GEEOEZHSGFUGCJ-HNNXBMFYSA-N 2 1 316.493 3.478 20 0 DGADMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCCC[C@H]1C ZINC000849061674 631823938 /nfs/dbraw/zinc/82/39/38/631823938.db2.gz XPQZGAWWZPQZED-CABCVRRESA-N 2 1 314.477 3.374 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000849073695 631826408 /nfs/dbraw/zinc/82/64/08/631826408.db2.gz XHVYJGFXSSHZJD-CQSZACIVSA-N 2 1 304.482 3.478 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000849073694 631827423 /nfs/dbraw/zinc/82/74/23/631827423.db2.gz XHVYJGFXSSHZJD-AWEZNQCLSA-N 2 1 304.482 3.478 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)cc1 ZINC000849096114 631833625 /nfs/dbraw/zinc/83/36/25/631833625.db2.gz AAZMRVLVPPXFOK-OAHLLOKOSA-N 2 1 300.450 3.398 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)cc1 ZINC000849096114 631833628 /nfs/dbraw/zinc/83/36/28/631833628.db2.gz AAZMRVLVPPXFOK-OAHLLOKOSA-N 2 1 300.450 3.398 20 0 DGADMP Cc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849096009 631834138 /nfs/dbraw/zinc/83/41/38/631834138.db2.gz WOTHUSZQTJGKJE-GOSISDBHSA-N 2 1 322.456 3.453 20 0 DGADMP CCc1ccc([C@@H](CNC(=[NH2+])NC(C)C)[NH+](CC)CC)cc1 ZINC000849103003 631836108 /nfs/dbraw/zinc/83/61/08/631836108.db2.gz AKPUKMGPYGSZJN-QGZVFWFLSA-N 2 1 304.482 3.154 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000850361025 632125854 /nfs/dbraw/zinc/12/58/54/632125854.db2.gz MTBMPFYGVAZQEU-FQEVSTJZSA-N 2 1 321.424 3.124 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000850423926 632148600 /nfs/dbraw/zinc/14/86/00/632148600.db2.gz ZRKUZVHLXHDDFZ-CABCVRRESA-N 2 1 300.446 3.147 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000850466209 632161579 /nfs/dbraw/zinc/16/15/79/632161579.db2.gz JLQKJUYYBZHUSM-ICSRJNTNSA-N 2 1 324.472 3.220 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000850466209 632161582 /nfs/dbraw/zinc/16/15/82/632161582.db2.gz JLQKJUYYBZHUSM-ICSRJNTNSA-N 2 1 324.472 3.220 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1SCCS1 ZINC000850559738 632193742 /nfs/dbraw/zinc/19/37/42/632193742.db2.gz FSKJYQKVXOZWAB-GOEBONIOSA-N 2 1 322.543 3.293 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000851791747 632494353 /nfs/dbraw/zinc/49/43/53/632494353.db2.gz COYNBSZGYDUKBZ-GBESFXJTSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000851791747 632494357 /nfs/dbraw/zinc/49/43/57/632494357.db2.gz COYNBSZGYDUKBZ-GBESFXJTSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000851791747 632494365 /nfs/dbraw/zinc/49/43/65/632494365.db2.gz COYNBSZGYDUKBZ-GBESFXJTSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000851791748 632494487 /nfs/dbraw/zinc/49/44/87/632494487.db2.gz COYNBSZGYDUKBZ-GUDVDZBRSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000851791748 632494491 /nfs/dbraw/zinc/49/44/91/632494491.db2.gz COYNBSZGYDUKBZ-GUDVDZBRSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000851791748 632494497 /nfs/dbraw/zinc/49/44/97/632494497.db2.gz COYNBSZGYDUKBZ-GUDVDZBRSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000851889470 632514822 /nfs/dbraw/zinc/51/48/22/632514822.db2.gz KAZZJVUWXMCOKG-MOPGFXCFSA-N 2 1 317.477 3.187 20 0 DGADMP CO[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000852007051 632538006 /nfs/dbraw/zinc/53/80/06/632538006.db2.gz JOVYVINLSDMPRP-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOC(F)F)C2)s1 ZINC000852023694 632540949 /nfs/dbraw/zinc/54/09/49/632540949.db2.gz XBOFBFVOXXMIKG-ZDUSSCGKSA-N 2 1 318.433 3.049 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOC(F)F)C2)s1 ZINC000852023694 632540952 /nfs/dbraw/zinc/54/09/52/632540952.db2.gz XBOFBFVOXXMIKG-ZDUSSCGKSA-N 2 1 318.433 3.049 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOC(F)F)C2)s1 ZINC000852023694 632540957 /nfs/dbraw/zinc/54/09/57/632540957.db2.gz XBOFBFVOXXMIKG-ZDUSSCGKSA-N 2 1 318.433 3.049 20 0 DGADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003939825 660518635 /nfs/dbraw/zinc/51/86/35/660518635.db2.gz BQCOBCCISFBBMK-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250722 660727656 /nfs/dbraw/zinc/72/76/56/660727656.db2.gz RYRSGTXVBDSQEJ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250722 660727657 /nfs/dbraw/zinc/72/76/57/660727657.db2.gz RYRSGTXVBDSQEJ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250722 660727660 /nfs/dbraw/zinc/72/76/60/660727660.db2.gz RYRSGTXVBDSQEJ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCc2cccnc21 ZINC000708554267 660924055 /nfs/dbraw/zinc/92/40/55/660924055.db2.gz WYAPGGGRWYEPRZ-AHRSYUTCSA-N 2 1 321.468 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCc2cccnc21 ZINC000708554267 660924057 /nfs/dbraw/zinc/92/40/57/660924057.db2.gz WYAPGGGRWYEPRZ-AHRSYUTCSA-N 2 1 321.468 3.427 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cscc2Br)CC[NH2+]1 ZINC000709793881 660930544 /nfs/dbraw/zinc/93/05/44/660930544.db2.gz VIUPDXJWLSHPJN-WDEREUQCSA-N 2 1 317.296 3.331 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792915141 660993416 /nfs/dbraw/zinc/99/34/16/660993416.db2.gz RBPIOZYPBMFXTA-QWHCGFSZSA-N 2 1 302.249 3.097 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792915141 660993417 /nfs/dbraw/zinc/99/34/17/660993417.db2.gz RBPIOZYPBMFXTA-QWHCGFSZSA-N 2 1 302.249 3.097 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792911105 660993424 /nfs/dbraw/zinc/99/34/24/660993424.db2.gz FZXKVELAAKKSLL-KGLIPLIRSA-N 2 1 316.276 3.487 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792911105 660993427 /nfs/dbraw/zinc/99/34/27/660993427.db2.gz FZXKVELAAKKSLL-KGLIPLIRSA-N 2 1 316.276 3.487 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000793548874 661044668 /nfs/dbraw/zinc/04/46/68/661044668.db2.gz AWTYYLWEBYOAAG-OWCLPIDISA-N 2 1 304.482 3.032 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000793548874 661044671 /nfs/dbraw/zinc/04/46/71/661044671.db2.gz AWTYYLWEBYOAAG-OWCLPIDISA-N 2 1 304.482 3.032 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929762337 661335649 /nfs/dbraw/zinc/33/56/49/661335649.db2.gz FHHPAIONRADTAL-MSOLQXFVSA-N 2 1 306.494 3.142 20 0 DGADMP Brc1ccsc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261976489 655736600 /nfs/dbraw/zinc/73/66/00/655736600.db2.gz IUJBRFBPHKPQCR-UHFFFAOYSA-N 2 1 315.280 3.086 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309674353 655872403 /nfs/dbraw/zinc/87/24/03/655872403.db2.gz VMLMTLTZCLDZDD-HXUWFJFHSA-N 2 1 309.457 3.392 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000715471773 661211225 /nfs/dbraw/zinc/21/12/25/661211225.db2.gz WCJNFSKQYYGPSL-VQTJNVASSA-N 2 1 314.473 3.198 20 0 DGADMP COC(C)(C)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309764284 656118022 /nfs/dbraw/zinc/11/80/22/656118022.db2.gz FNRMXRIOHQSAHC-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]([NH3+])[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707619 656226994 /nfs/dbraw/zinc/22/69/94/656226994.db2.gz PKOCUZPMBDGPAF-KVSKMBFKSA-N 2 1 301.478 3.072 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920657 656815609 /nfs/dbraw/zinc/81/56/09/656815609.db2.gz YYTODNCEJBFEIY-CYBMUJFWSA-N 2 1 319.346 3.338 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920657 656815615 /nfs/dbraw/zinc/81/56/15/656815615.db2.gz YYTODNCEJBFEIY-CYBMUJFWSA-N 2 1 319.346 3.338 20 0 DGADMP C[N@H+](Cc1cccc(N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261674464 656960639 /nfs/dbraw/zinc/96/06/39/656960639.db2.gz KWIKWNRXLCONNB-LJQANCHMSA-N 2 1 309.457 3.223 20 0 DGADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000900005023 657064525 /nfs/dbraw/zinc/06/45/25/657064525.db2.gz WIDMYCDVXWTLMS-DOMZBBRYSA-N 2 1 302.422 3.234 20 0 DGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000261798267 657105135 /nfs/dbraw/zinc/10/51/35/657105135.db2.gz UMAFWFRNFPTPQL-UHFFFAOYSA-N 2 1 317.477 3.070 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(SC(F)(F)F)cc3)C[C@@H]12 ZINC000261807861 657109548 /nfs/dbraw/zinc/10/95/48/657109548.db2.gz ZIWCLDWZUJRXKB-IACUBPJLSA-N 2 1 316.392 3.468 20 0 DGADMP Clc1cc2cccnc2c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262047156 657298220 /nfs/dbraw/zinc/29/82/20/657298220.db2.gz PWSTWFAPJVZONU-UHFFFAOYSA-N 2 1 315.848 3.464 20 0 DGADMP O[C@@H](C[C@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1cccs1 ZINC000178977103 657377515 /nfs/dbraw/zinc/37/75/15/657377515.db2.gz FKHAGNVEHOIAEO-SJORKVTESA-N 2 1 322.518 3.416 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC000067452789 657390962 /nfs/dbraw/zinc/39/09/62/657390962.db2.gz DGRSBTSYOZRYBY-BETUJISGSA-N 2 1 316.898 3.381 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882635 657509796 /nfs/dbraw/zinc/50/97/96/657509796.db2.gz RBXMQXYFMMNHPZ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882633 657509913 /nfs/dbraw/zinc/50/99/13/657509913.db2.gz RBXMQXYFMMNHPZ-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060075 657546261 /nfs/dbraw/zinc/54/62/61/657546261.db2.gz WYAUNSXGECGWFO-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969060075 657546267 /nfs/dbraw/zinc/54/62/67/657546267.db2.gz WYAUNSXGECGWFO-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@](C)(O)c3ccco3)CC2)C1 ZINC000305147182 657687402 /nfs/dbraw/zinc/68/74/02/657687402.db2.gz NTHMTLUCEQHYMS-HHXXYDBFSA-N 2 1 320.477 3.120 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)[C@@H](C)C1 ZINC000305146101 657688068 /nfs/dbraw/zinc/68/80/68/657688068.db2.gz NMTHMUNZENQMEP-CWRNSKLLSA-N 2 1 318.486 3.255 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[NH+](C)C ZINC000421819784 658224432 /nfs/dbraw/zinc/22/44/32/658224432.db2.gz IZYXPBLQYMJBCA-HKUYNNGSSA-N 2 1 303.494 3.285 20 0 DGADMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000089724506 659868205 /nfs/dbraw/zinc/86/82/05/659868205.db2.gz JSCQYFMJGGCHIT-KVSKMBFKSA-N 2 1 315.461 3.187 20 0 DGADMP C[C@@H]1C[C@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089908798 659909759 /nfs/dbraw/zinc/90/97/59/659909759.db2.gz LHSXZSLJXUWFTC-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000237668265 659934733 /nfs/dbraw/zinc/93/47/33/659934733.db2.gz LGSPQZYYOIQXOE-IYBDPMFKSA-N 2 1 308.441 3.113 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H](C)C[NH+]3CCCC3)oc21 ZINC000069752040 660019332 /nfs/dbraw/zinc/01/93/32/660019332.db2.gz VVRUEOSOAUQJBR-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070169496 660040180 /nfs/dbraw/zinc/04/01/80/660040180.db2.gz RYUNWKHSWBNKFT-GFCCVEGCSA-N 2 1 302.340 3.146 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000929696097 661329381 /nfs/dbraw/zinc/32/93/81/661329381.db2.gz KGHINWAPEPMAMI-SZMVWBNQSA-N 2 1 320.427 3.453 20 0 DGADMP Cc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753526 661334632 /nfs/dbraw/zinc/33/46/32/661334632.db2.gz BJDNEDFMAYBYIO-IBGZPJMESA-N 2 1 324.472 3.047 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930095568 661366014 /nfs/dbraw/zinc/36/60/14/661366014.db2.gz YJOWAIBTIDZJKX-OAHLLOKOSA-N 2 1 308.385 3.065 20 0 DGADMP C[C@@H](c1ccc(F)nc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117730 661368311 /nfs/dbraw/zinc/36/83/11/661368311.db2.gz WPAFEYMCBRJHBP-AWEZNQCLSA-N 2 1 301.409 3.475 20 0 DGADMP COC/C(C)=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000930346400 661391029 /nfs/dbraw/zinc/39/10/29/661391029.db2.gz DNOVXBUARQEIFI-WSDUQJHMSA-N 2 1 316.489 3.469 20 0 DGADMP COC/C(C)=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000930346400 661391032 /nfs/dbraw/zinc/39/10/32/661391032.db2.gz DNOVXBUARQEIFI-WSDUQJHMSA-N 2 1 316.489 3.469 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000930601860 661414398 /nfs/dbraw/zinc/41/43/98/661414398.db2.gz KRBQXBCKAGPQLD-KZNAEPCWSA-N 2 1 320.427 3.453 20 0 DGADMP CCCC[N@H+](Cc1ccnn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033076 661446927 /nfs/dbraw/zinc/44/69/27/661446927.db2.gz CYZKDUZHGNSTRI-UHFFFAOYSA-N 2 1 306.498 3.331 20 0 DGADMP CCCC[N@@H+](Cc1ccnn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033076 661446929 /nfs/dbraw/zinc/44/69/29/661446929.db2.gz CYZKDUZHGNSTRI-UHFFFAOYSA-N 2 1 306.498 3.331 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931368269 661471145 /nfs/dbraw/zinc/47/11/45/661471145.db2.gz AXKDIRUYWVOGNI-INIZCTEOSA-N 2 1 323.444 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931368269 661471149 /nfs/dbraw/zinc/47/11/49/661471149.db2.gz AXKDIRUYWVOGNI-INIZCTEOSA-N 2 1 323.444 3.338 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931368269 661471151 /nfs/dbraw/zinc/47/11/51/661471151.db2.gz AXKDIRUYWVOGNI-INIZCTEOSA-N 2 1 323.444 3.338 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC000931434197 661476075 /nfs/dbraw/zinc/47/60/75/661476075.db2.gz PGICLGQQLIWIQQ-OCCSQVGLSA-N 2 1 319.499 3.255 20 0 DGADMP C[C@H](CCSc1ccccc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439806 661476817 /nfs/dbraw/zinc/47/68/17/661476817.db2.gz OGLREODGQNTVOU-IXDOHACOSA-N 2 1 304.503 3.441 20 0 DGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000931561361 661488723 /nfs/dbraw/zinc/48/87/23/661488723.db2.gz HNWVPJYHFLMNOY-DZFIZOCASA-N 2 1 310.526 3.490 20 0 DGADMP CCc1onc(C)c1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000931564284 661489058 /nfs/dbraw/zinc/48/90/58/661489058.db2.gz WAIZDYINYUJGDK-UHFFFAOYSA-N 2 1 307.482 3.345 20 0 DGADMP COC/C(C)=C\C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746868 661504804 /nfs/dbraw/zinc/50/48/04/661504804.db2.gz JVWBFIUOJGRGGQ-TWXSGCNJSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746868 661504805 /nfs/dbraw/zinc/50/48/05/661504805.db2.gz JVWBFIUOJGRGGQ-TWXSGCNJSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746868 661504806 /nfs/dbraw/zinc/50/48/06/661504806.db2.gz JVWBFIUOJGRGGQ-TWXSGCNJSA-N 2 1 314.473 3.033 20 0 DGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(F)ccc1OC ZINC000932476079 661572617 /nfs/dbraw/zinc/57/26/17/661572617.db2.gz XNNVOYQLPVCTJD-INIZCTEOSA-N 2 1 305.397 3.470 20 0 DGADMP Cc1csc(C[C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000933129408 661619033 /nfs/dbraw/zinc/61/90/33/661619033.db2.gz JGKFQRBNALGQML-HZPDHXFCSA-N 2 1 307.507 3.190 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933551657 661640476 /nfs/dbraw/zinc/64/04/76/661640476.db2.gz YTGUZJDXKOSZCI-IBGZPJMESA-N 2 1 316.489 3.235 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCOC1)C1CCN(Cc2ccccc2)CC1 ZINC000934187103 661685161 /nfs/dbraw/zinc/68/51/61/661685161.db2.gz AXMGQBAOWQOHAG-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081633338 662170447 /nfs/dbraw/zinc/17/04/47/662170447.db2.gz ZTCFCDBCYJCEAR-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081633338 662170449 /nfs/dbraw/zinc/17/04/49/662170449.db2.gz ZTCFCDBCYJCEAR-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081633338 662170451 /nfs/dbraw/zinc/17/04/51/662170451.db2.gz ZTCFCDBCYJCEAR-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081633338 662170453 /nfs/dbraw/zinc/17/04/53/662170453.db2.gz ZTCFCDBCYJCEAR-SFHVURJKSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000195658640 662192511 /nfs/dbraw/zinc/19/25/11/662192511.db2.gz GRROHYFGJYSVBM-UHFFFAOYSA-N 2 1 322.456 3.490 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911031 662291109 /nfs/dbraw/zinc/29/11/09/662291109.db2.gz GGNAMNVBMIVRGG-ZIAGYGMSSA-N 2 1 317.458 3.337 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464021 662320393 /nfs/dbraw/zinc/32/03/93/662320393.db2.gz IPSHTKMIQRIVFL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464021 662320396 /nfs/dbraw/zinc/32/03/96/662320396.db2.gz IPSHTKMIQRIVFL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464021 662320398 /nfs/dbraw/zinc/32/03/98/662320398.db2.gz IPSHTKMIQRIVFL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000247464021 662320400 /nfs/dbraw/zinc/32/04/00/662320400.db2.gz IPSHTKMIQRIVFL-DLBZAZTESA-N 2 1 310.869 3.180 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]21 ZINC000388551240 685189960 /nfs/dbraw/zinc/18/99/60/685189960.db2.gz FXEHOPPAQIPHAS-VNQPRFMTSA-N 2 1 315.848 3.447 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]21 ZINC000388551240 685189963 /nfs/dbraw/zinc/18/99/63/685189963.db2.gz FXEHOPPAQIPHAS-VNQPRFMTSA-N 2 1 315.848 3.447 20 0 DGADMP C[C@]1(C[NH2+]C[C@H]2CCC=CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000390697911 685204179 /nfs/dbraw/zinc/20/41/79/685204179.db2.gz AYHKMHFMXIJNBY-RTBURBONSA-N 2 1 300.446 3.181 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001576478584 1191823257 /nfs/dbraw/zinc/82/32/57/1191823257.db2.gz DZFPHRRCPYQLHB-FUHWJXTLSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1[NH3+] ZINC001576809484 1191870060 /nfs/dbraw/zinc/87/00/60/1191870060.db2.gz ZUABASCUJDVDSK-IAQYHMDHSA-N 2 1 306.356 3.394 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1[NH3+] ZINC001576809484 1191870061 /nfs/dbraw/zinc/87/00/61/1191870061.db2.gz ZUABASCUJDVDSK-IAQYHMDHSA-N 2 1 306.356 3.394 20 0 DGADMP CCC1([NH3+])CCN([C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001577230629 1191889018 /nfs/dbraw/zinc/88/90/18/1191889018.db2.gz SPAJMBWCUGSGCL-GOSISDBHSA-N 2 1 315.505 3.243 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1C[NH2+]C[C@H](C)C1)c1ccc(Cl)cc1 ZINC001577495366 1191905148 /nfs/dbraw/zinc/90/51/48/1191905148.db2.gz GUSMQASIEJSVKO-FHLIZLRMSA-N 2 1 323.912 3.311 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC001577583698 1191908114 /nfs/dbraw/zinc/90/81/14/1191908114.db2.gz ZCOYKXILWAZVLX-KSZLIROESA-N 2 1 302.462 3.343 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC001577583703 1191907750 /nfs/dbraw/zinc/90/77/50/1191907750.db2.gz ZCOYKXILWAZVLX-RCCFBDPRSA-N 2 1 302.462 3.343 20 0 DGADMP CCN(C[C@H](C[NH3+])C(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710814 1191913999 /nfs/dbraw/zinc/91/39/99/1191913999.db2.gz BXNBHBYCHFRYNN-UXHICEINSA-N 3 1 317.521 3.061 20 0 DGADMP CCOC(=O)[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCCC1 ZINC001577921403 1191918837 /nfs/dbraw/zinc/91/88/37/1191918837.db2.gz MRAUIMSMARONOL-NXCDMZCRSA-N 2 1 322.493 3.009 20 0 DGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)o1 ZINC001578255351 1191934682 /nfs/dbraw/zinc/93/46/82/1191934682.db2.gz REFGPXZBZFZBDN-OIISXLGYSA-N 2 1 318.461 3.136 20 0 DGADMP C[N@@H+](CC/C=C\c1ccc(Br)cc1)C1CC([NH3+])C1 ZINC001578463762 1191945100 /nfs/dbraw/zinc/94/51/00/1191945100.db2.gz QOVMAWKSLSNAMK-RQOWECAXSA-N 2 1 309.251 3.274 20 0 DGADMP COCC[C@@H]([NH3+])C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC001579001014 1191963886 /nfs/dbraw/zinc/96/38/86/1191963886.db2.gz DZLLBAMXSNQWDI-PBHICJAKSA-N 2 1 304.434 3.392 20 0 DGADMP COCC[C@@H]([NH3+])C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001579002065 1191964281 /nfs/dbraw/zinc/96/42/81/1191964281.db2.gz NRHDUPFSDLOHKH-MRXNPFEDSA-N 2 1 310.869 3.057 20 0 DGADMP COc1cccc(-c2csc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n2)c1 ZINC001579253204 1191970450 /nfs/dbraw/zinc/97/04/50/1191970450.db2.gz KRZUACICWVQGRC-NWDGAFQWSA-N 2 1 305.447 3.034 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)c1 ZINC001579273680 1191971935 /nfs/dbraw/zinc/97/19/35/1191971935.db2.gz AOHYKDYHUQPRHH-IBGZPJMESA-N 2 1 310.441 3.361 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC001579460761 1191977193 /nfs/dbraw/zinc/97/71/93/1191977193.db2.gz LQCSEKBCJJDGFR-NEPJUHHUSA-N 2 1 306.356 3.170 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC001579708573 1191988369 /nfs/dbraw/zinc/98/83/69/1191988369.db2.gz ZYSFMCBQRNDESQ-CMKODMSKSA-N 2 1 315.505 3.284 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc3c(s1)C[NH2+]CC3)[C@H](C)C2 ZINC001579737604 1191989917 /nfs/dbraw/zinc/98/99/17/1191989917.db2.gz KXCJLYIGSHUMFO-XIKOKIGWSA-N 2 1 313.470 3.120 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001579740089 1191990249 /nfs/dbraw/zinc/99/02/49/1191990249.db2.gz HHSRPJKSUQSNFG-OXQOHEQNSA-N 2 1 310.441 3.101 20 0 DGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001579740089 1191990251 /nfs/dbraw/zinc/99/02/51/1191990251.db2.gz HHSRPJKSUQSNFG-OXQOHEQNSA-N 2 1 310.441 3.101 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001579785653 1191993804 /nfs/dbraw/zinc/99/38/04/1191993804.db2.gz WCTNSAXBPPIYBC-MOPGFXCFSA-N 2 1 324.472 3.157 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC001579926443 1191999006 /nfs/dbraw/zinc/99/90/06/1191999006.db2.gz CFTPIWKAVGMMMC-QWHCGFSZSA-N 2 1 305.447 3.319 20 0 DGADMP Clc1cnc2oc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC001579939032 1191999844 /nfs/dbraw/zinc/99/98/44/1191999844.db2.gz STMIHHYNVSZPCR-UHFFFAOYSA-N 2 1 305.809 3.057 20 0 DGADMP Cc1scc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC001579937590 1191999905 /nfs/dbraw/zinc/99/99/05/1191999905.db2.gz ZCDLELKDKMRDEU-USXIJHARSA-N 2 1 308.491 3.083 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c(Cl)n1 ZINC001579961757 1192001213 /nfs/dbraw/zinc/00/12/13/1192001213.db2.gz UPQAEORITFJHKG-CJNGLKHVSA-N 2 1 324.900 3.193 20 0 DGADMP [NH3+]C1(CC[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CCOCC1 ZINC001580143954 1192009811 /nfs/dbraw/zinc/00/98/11/1192009811.db2.gz HRVVDAQQJOZMPH-SFHVURJKSA-N 2 1 312.457 3.278 20 0 DGADMP [NH3+]C1CCC2(CC1)C[N@H+]([C@H]1CCCc3ccccc31)CCO2 ZINC001580173160 1192011667 /nfs/dbraw/zinc/01/16/67/1192011667.db2.gz DAMZQOITMFJKBQ-AVAKVYKDSA-N 2 1 300.446 3.036 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(-c2ncco2)cc1F ZINC001580171351 1192011690 /nfs/dbraw/zinc/01/16/90/1192011690.db2.gz MOVWARKAHGFVKL-MQVJKMGUSA-N 2 1 315.392 3.325 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ncco2)cc1F ZINC001580171351 1192011695 /nfs/dbraw/zinc/01/16/95/1192011695.db2.gz MOVWARKAHGFVKL-MQVJKMGUSA-N 2 1 315.392 3.325 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC001580199951 1192012600 /nfs/dbraw/zinc/01/26/00/1192012600.db2.gz OBGJINPAWOANSR-FGTMMUONSA-N 2 1 322.880 3.243 20 0 DGADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC001580331578 1192022018 /nfs/dbraw/zinc/02/20/18/1192022018.db2.gz SBAXSMPKENYUJY-BZSNNMDCSA-N 2 1 302.462 3.295 20 0 DGADMP c1c(C[N@@H+]2CCC[C@H]2CCC2CCCC2)onc1C1C[NH2+]C1 ZINC001580887989 1192043896 /nfs/dbraw/zinc/04/38/96/1192043896.db2.gz CDJMHRJKWXEARN-INIZCTEOSA-N 2 1 303.450 3.296 20 0 DGADMP c1ccc(COCCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001580892681 1192044591 /nfs/dbraw/zinc/04/45/91/1192044591.db2.gz BVHWFPLEJKVBSR-IBGZPJMESA-N 2 1 302.462 3.201 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001580892681 1192044592 /nfs/dbraw/zinc/04/45/92/1192044592.db2.gz BVHWFPLEJKVBSR-IBGZPJMESA-N 2 1 302.462 3.201 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC001620720611 1192075144 /nfs/dbraw/zinc/07/51/44/1192075144.db2.gz PQVQNLDHFGUVEM-GPMSIDNRSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)CC2 ZINC001620720611 1192075147 /nfs/dbraw/zinc/07/51/47/1192075147.db2.gz PQVQNLDHFGUVEM-GPMSIDNRSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc3c2OCC3)C1 ZINC001620724264 1192076117 /nfs/dbraw/zinc/07/61/17/1192076117.db2.gz PDNLQLCLDIGOQO-HOTGVXAUSA-N 2 1 302.462 3.079 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1Br ZINC001663482465 1196882429 /nfs/dbraw/zinc/88/24/29/1196882429.db2.gz CGLTZRCHYVMLEN-SQWLQELKSA-N 2 1 323.278 3.187 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001620939906 1192630593 /nfs/dbraw/zinc/63/05/93/1192630593.db2.gz ZPXWIMGIVRBOEH-CSNJMZFVSA-N 2 1 314.473 3.157 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001648813846 1176117497 /nfs/dbraw/zinc/11/74/97/1176117497.db2.gz BQJCYCGTCPMXSF-CALCHBBNSA-N 2 1 303.494 3.210 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001648813846 1176117503 /nfs/dbraw/zinc/11/75/03/1176117503.db2.gz BQJCYCGTCPMXSF-CALCHBBNSA-N 2 1 303.494 3.210 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000385915706 1177242580 /nfs/dbraw/zinc/24/25/80/1177242580.db2.gz AQKBZKVHBHRZHF-JHJVBQTASA-N 2 1 313.239 3.052 20 0 DGADMP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001331955371 1178319981 /nfs/dbraw/zinc/31/99/81/1178319981.db2.gz WHXBJXWOJDBRMB-GFCCVEGCSA-N 2 1 324.350 3.293 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332360779 1178427962 /nfs/dbraw/zinc/42/79/62/1178427962.db2.gz UGDKECBVYPXIBK-UHFFFAOYSA-N 2 1 318.509 3.221 20 0 DGADMP CC(C)(C)c1csc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001332520238 1178459771 /nfs/dbraw/zinc/45/97/71/1178459771.db2.gz QRBICIKMJAPBFA-UHFFFAOYSA-N 2 1 307.507 3.406 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC001333686031 1178653441 /nfs/dbraw/zinc/65/34/41/1178653441.db2.gz VSAKZLKJRQPZAD-GXTWGEPZSA-N 2 1 316.367 3.200 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cnccc43)C[C@@H]2C1 ZINC001333840055 1178683735 /nfs/dbraw/zinc/68/37/35/1178683735.db2.gz CGZYJMWOJHBDPH-YTQUADARSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC001333892437 1178691376 /nfs/dbraw/zinc/69/13/76/1178691376.db2.gz RGIVBYGZSRWXJM-HRCADAONSA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(Cl)c(F)c3)C[C@H]2C1 ZINC001333892995 1178692036 /nfs/dbraw/zinc/69/20/36/1178692036.db2.gz WHTAWSDRCSFQJF-BFHYXJOUSA-N 2 1 311.832 3.036 20 0 DGADMP Cn1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1C1CC1 ZINC001334217348 1178736923 /nfs/dbraw/zinc/73/69/23/1178736923.db2.gz KUTROUFJPFYDTP-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC001342092171 1179103158 /nfs/dbraw/zinc/10/31/58/1179103158.db2.gz CFGSFWDCAZIONS-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC001343332700 1179258039 /nfs/dbraw/zinc/25/80/39/1179258039.db2.gz HSFUINUOODWZFX-OWCLPIDISA-N 2 1 324.415 3.450 20 0 DGADMP c1oc(-c2ccccc2)nc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001344568879 1179451581 /nfs/dbraw/zinc/45/15/81/1179451581.db2.gz UWBLTXXAQUCYMV-UHFFFAOYSA-N 2 1 311.429 3.101 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001345205660 1179543274 /nfs/dbraw/zinc/54/32/74/1179543274.db2.gz WPBQUNRLCLXODK-KBAYOESNSA-N 2 1 302.462 3.250 20 0 DGADMP COc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)ccc1F ZINC001345956275 1179629182 /nfs/dbraw/zinc/62/91/82/1179629182.db2.gz OWJIZBOZJZVUIJ-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP COc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)ccc1F ZINC001345956275 1179629186 /nfs/dbraw/zinc/62/91/86/1179629186.db2.gz OWJIZBOZJZVUIJ-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP FC(F)(F)c1cccnc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349324217 1179892772 /nfs/dbraw/zinc/89/27/72/1179892772.db2.gz CTINKBHMLWRYFY-UHFFFAOYSA-N 2 1 313.367 3.066 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352113925 1180299282 /nfs/dbraw/zinc/29/92/82/1180299282.db2.gz VPFFEHAVGASBKE-NTOHADGISA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)[NH+](C)C ZINC001353593927 1180601665 /nfs/dbraw/zinc/60/16/65/1180601665.db2.gz UYXXYUAHVWSMCI-GFCCVEGCSA-N 2 1 306.841 3.160 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC001354137466 1180729227 /nfs/dbraw/zinc/72/92/27/1180729227.db2.gz GYUCBXXTAZMMPL-AWEZNQCLSA-N 2 1 321.465 3.463 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC001354206332 1180744289 /nfs/dbraw/zinc/74/42/89/1180744289.db2.gz YKLRWIYDCCMGNY-HZPDHXFCSA-N 2 1 304.478 3.297 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2scnc2c1 ZINC001200702995 1180837579 /nfs/dbraw/zinc/83/75/79/1180837579.db2.gz KDMLLOUCRHVPIL-UHFFFAOYSA-N 2 1 300.431 3.371 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001474576589 1181592242 /nfs/dbraw/zinc/59/22/42/1181592242.db2.gz ZVLJYQFDZXQSQI-KRWDZBQOSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001474576589 1181592249 /nfs/dbraw/zinc/59/22/49/1181592249.db2.gz ZVLJYQFDZXQSQI-KRWDZBQOSA-N 2 1 304.478 3.446 20 0 DGADMP c1ccc(CC[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC000201523899 1181641144 /nfs/dbraw/zinc/64/11/44/1181641144.db2.gz LCZHTISNPOBHNW-UHFFFAOYSA-N 2 1 306.453 3.366 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523868 1182592120 /nfs/dbraw/zinc/59/21/20/1182592120.db2.gz UONLSYMCDBQLDU-LSDHHAIUSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523868 1182592125 /nfs/dbraw/zinc/59/21/25/1182592125.db2.gz UONLSYMCDBQLDU-LSDHHAIUSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOC(F)(F)F)C1 ZINC001459523868 1182592130 /nfs/dbraw/zinc/59/21/30/1182592130.db2.gz UONLSYMCDBQLDU-LSDHHAIUSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)C1 ZINC001459523868 1182592134 /nfs/dbraw/zinc/59/21/34/1182592134.db2.gz UONLSYMCDBQLDU-LSDHHAIUSA-N 2 1 322.415 3.499 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001459574725 1182595500 /nfs/dbraw/zinc/59/55/00/1182595500.db2.gz PFXYCGBZUVLIGL-MSOLQXFVSA-N 2 1 308.510 3.390 20 0 DGADMP CCc1ccc(CC[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC001459624937 1182599139 /nfs/dbraw/zinc/59/91/39/1182599139.db2.gz BZUFJACAMIEQGC-HXUWFJFHSA-N 2 1 318.505 3.224 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC001459718347 1182609566 /nfs/dbraw/zinc/60/95/66/1182609566.db2.gz JXYHKRBMRDWUGR-RBUKOAKNSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC001459718347 1182609570 /nfs/dbraw/zinc/60/95/70/1182609570.db2.gz JXYHKRBMRDWUGR-RBUKOAKNSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)CC ZINC001459718347 1182609573 /nfs/dbraw/zinc/60/95/73/1182609573.db2.gz JXYHKRBMRDWUGR-RBUKOAKNSA-N 2 1 306.494 3.408 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)CC ZINC001459718347 1182609577 /nfs/dbraw/zinc/60/95/77/1182609577.db2.gz JXYHKRBMRDWUGR-RBUKOAKNSA-N 2 1 306.494 3.408 20 0 DGADMP CCCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC001459798906 1182617697 /nfs/dbraw/zinc/61/76/97/1182617697.db2.gz WVTMRDXCRYMEMY-RTBURBONSA-N 2 1 306.494 3.238 20 0 DGADMP COCC[N@H+](Cc1ccc(C)c(C)c1)CC1CC[NH+](C)CC1 ZINC001460613398 1182699436 /nfs/dbraw/zinc/69/94/36/1182699436.db2.gz XTBCERFKOBTIEO-UHFFFAOYSA-N 2 1 304.478 3.094 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001460689304 1182708484 /nfs/dbraw/zinc/70/84/84/1182708484.db2.gz HPXNIORHVNVDTK-KRWDZBQOSA-N 2 1 324.509 3.305 20 0 DGADMP COC/C(C)=C/C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744934 1182715607 /nfs/dbraw/zinc/71/56/07/1182715607.db2.gz FGBDDTUCEGENFO-BGBRNYFRSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744934 1182715612 /nfs/dbraw/zinc/71/56/12/1182715612.db2.gz FGBDDTUCEGENFO-BGBRNYFRSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744934 1182715617 /nfs/dbraw/zinc/71/56/17/1182715617.db2.gz FGBDDTUCEGENFO-BGBRNYFRSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460744934 1182715623 /nfs/dbraw/zinc/71/56/23/1182715623.db2.gz FGBDDTUCEGENFO-BGBRNYFRSA-N 2 1 314.473 3.033 20 0 DGADMP c1ccc(C[NH+]2CCC[N@@H+](CC3CCC3)CCOCC2)cc1 ZINC001460835191 1182729338 /nfs/dbraw/zinc/72/93/38/1182729338.db2.gz LARPGOXVZNMWEL-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[N@H+](CC3CCC3)CCOCC2)cc1 ZINC001460835191 1182729345 /nfs/dbraw/zinc/72/93/45/1182729345.db2.gz LARPGOXVZNMWEL-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(C[N@H+]2CCC[NH+](CC3CCC3)CCOCC2)cc1 ZINC001460835191 1182729355 /nfs/dbraw/zinc/72/93/55/1182729355.db2.gz LARPGOXVZNMWEL-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[NH+](CC3CCC3)CCOCC2)cc1 ZINC001460835191 1182729361 /nfs/dbraw/zinc/72/93/61/1182729361.db2.gz LARPGOXVZNMWEL-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP C[C@@H](CCSc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460862679 1182733530 /nfs/dbraw/zinc/73/35/30/1182733530.db2.gz HNPJDKBYFVWWMI-JZXOWHBKSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460862679 1182733534 /nfs/dbraw/zinc/73/35/34/1182733534.db2.gz HNPJDKBYFVWWMI-JZXOWHBKSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460862679 1182733539 /nfs/dbraw/zinc/73/35/39/1182733539.db2.gz HNPJDKBYFVWWMI-JZXOWHBKSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@@H](CCSc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460862679 1182733544 /nfs/dbraw/zinc/73/35/44/1182733544.db2.gz HNPJDKBYFVWWMI-JZXOWHBKSA-N 2 1 304.503 3.441 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1cnn(CC2CCC2)c1)C1CCCCC1 ZINC001460987799 1182751950 /nfs/dbraw/zinc/75/19/50/1182751950.db2.gz DWUUUIWYFCZODT-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cnn(CC2CCC2)c1)C1CCCCC1 ZINC001460987799 1182751962 /nfs/dbraw/zinc/75/19/62/1182751962.db2.gz DWUUUIWYFCZODT-UHFFFAOYSA-N 2 1 318.509 3.427 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC001461586202 1182832161 /nfs/dbraw/zinc/83/21/61/1182832161.db2.gz QHFTWNPHXRZMLF-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC001461586202 1182832168 /nfs/dbraw/zinc/83/21/68/1182832168.db2.gz QHFTWNPHXRZMLF-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)[C@H]2C1 ZINC001461832146 1182865657 /nfs/dbraw/zinc/86/56/57/1182865657.db2.gz SWZAHOYFMCOZLC-DRZSPHRISA-N 2 1 321.877 3.380 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001461919325 1182876706 /nfs/dbraw/zinc/87/67/06/1182876706.db2.gz NIDCORNKTAQRQS-MRXNPFEDSA-N 2 1 320.452 3.388 20 0 DGADMP COC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC001653256079 1195704226 /nfs/dbraw/zinc/70/42/26/1195704226.db2.gz VEYDOYGPVATMNY-RBUKOAKNSA-N 2 1 310.526 3.349 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC001473198532 1183728428 /nfs/dbraw/zinc/72/84/28/1183728428.db2.gz NHNJOFNYMRKMPI-FQEVSTJZSA-N 2 1 318.505 3.480 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210032 1183729983 /nfs/dbraw/zinc/72/99/83/1183729983.db2.gz BEHXEHJZWOPCRF-ZBFHGGJFSA-N 2 1 313.445 3.245 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210032 1183729988 /nfs/dbraw/zinc/72/99/88/1183729988.db2.gz BEHXEHJZWOPCRF-ZBFHGGJFSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210032 1183729991 /nfs/dbraw/zinc/72/99/91/1183729991.db2.gz BEHXEHJZWOPCRF-ZBFHGGJFSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001473210032 1183729995 /nfs/dbraw/zinc/72/99/95/1183729995.db2.gz BEHXEHJZWOPCRF-ZBFHGGJFSA-N 2 1 313.445 3.245 20 0 DGADMP CCc1ccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC001473578114 1183776741 /nfs/dbraw/zinc/77/67/41/1183776741.db2.gz QMAORTFXVHJSHD-HXUWFJFHSA-N 2 1 320.521 3.408 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC001473578114 1183776744 /nfs/dbraw/zinc/77/67/44/1183776744.db2.gz QMAORTFXVHJSHD-HXUWFJFHSA-N 2 1 320.521 3.408 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC001473578114 1183776747 /nfs/dbraw/zinc/77/67/47/1183776747.db2.gz QMAORTFXVHJSHD-HXUWFJFHSA-N 2 1 320.521 3.408 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001473749180 1183796837 /nfs/dbraw/zinc/79/68/37/1183796837.db2.gz JERDQIUIAVWTDO-IBGZPJMESA-N 2 1 322.468 3.365 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC001473805097 1183804095 /nfs/dbraw/zinc/80/40/95/1183804095.db2.gz TUNLQRJUAQDORW-MRXNPFEDSA-N 2 1 309.523 3.438 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC001473805097 1183804106 /nfs/dbraw/zinc/80/41/06/1183804106.db2.gz TUNLQRJUAQDORW-MRXNPFEDSA-N 2 1 309.523 3.438 20 0 DGADMP COc1cncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001473936177 1183833831 /nfs/dbraw/zinc/83/38/31/1183833831.db2.gz XUXWOEDOUUHJOF-IYBDPMFKSA-N 2 1 319.493 3.246 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC001473966723 1183840316 /nfs/dbraw/zinc/84/03/16/1183840316.db2.gz VOWHXCPRXWUIHU-UHFFFAOYSA-N 2 1 304.444 3.166 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC001474018738 1183851046 /nfs/dbraw/zinc/85/10/46/1183851046.db2.gz CJJWPKAZCPKXQP-UHFFFAOYSA-N 2 1 324.428 3.318 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474028322 1183853989 /nfs/dbraw/zinc/85/39/89/1183853989.db2.gz NNMMASBWILTQLV-CVEARBPZSA-N 2 1 306.498 3.217 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cnc2ccc(Cl)cn12)[NH+]1CCCCC1 ZINC001474109567 1183870535 /nfs/dbraw/zinc/87/05/35/1183870535.db2.gz WVMNGTBWERVOAI-AWEZNQCLSA-N 2 1 320.868 3.342 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001474167362 1183876014 /nfs/dbraw/zinc/87/60/14/1183876014.db2.gz CVMBYOBGVHWGCL-WSTZPKSXSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001474167362 1183876026 /nfs/dbraw/zinc/87/60/26/1183876026.db2.gz CVMBYOBGVHWGCL-WSTZPKSXSA-N 2 1 317.521 3.217 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC001474319629 1183903893 /nfs/dbraw/zinc/90/38/93/1183903893.db2.gz YZLYNLXNRNBRSI-KDOFPFPSSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC001474319629 1183903896 /nfs/dbraw/zinc/90/38/96/1183903896.db2.gz YZLYNLXNRNBRSI-KDOFPFPSSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC001474319629 1183903898 /nfs/dbraw/zinc/90/38/98/1183903898.db2.gz YZLYNLXNRNBRSI-KDOFPFPSSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC001474319629 1183903899 /nfs/dbraw/zinc/90/38/99/1183903899.db2.gz YZLYNLXNRNBRSI-KDOFPFPSSA-N 2 1 308.441 3.387 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC001474320753 1183903941 /nfs/dbraw/zinc/90/39/41/1183903941.db2.gz PNAVTEGKEPERDN-QZTJIDSGSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001474320753 1183903942 /nfs/dbraw/zinc/90/39/42/1183903942.db2.gz PNAVTEGKEPERDN-QZTJIDSGSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001474320753 1183903945 /nfs/dbraw/zinc/90/39/45/1183903945.db2.gz PNAVTEGKEPERDN-QZTJIDSGSA-N 2 1 304.503 3.466 20 0 DGADMP CC[N@@H+](CC1CC(OC)C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001474325284 1183905138 /nfs/dbraw/zinc/90/51/38/1183905138.db2.gz WVIMDPHJRNLDPA-XEVCZEQESA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC1CC(OC)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474325284 1183905145 /nfs/dbraw/zinc/90/51/45/1183905145.db2.gz WVIMDPHJRNLDPA-XEVCZEQESA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](CC1CC(OC)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474325284 1183905146 /nfs/dbraw/zinc/90/51/46/1183905146.db2.gz WVIMDPHJRNLDPA-XEVCZEQESA-N 2 1 316.489 3.255 20 0 DGADMP CCCn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC001474500455 1183931877 /nfs/dbraw/zinc/93/18/77/1183931877.db2.gz JPRXYWSDSNCRTD-UHFFFAOYSA-N 2 1 314.477 3.295 20 0 DGADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc(C)c1O ZINC001474685970 1183961830 /nfs/dbraw/zinc/96/18/30/1183961830.db2.gz IBNIYWPIAXHCPN-MRXNPFEDSA-N 2 1 311.429 3.115 20 0 DGADMP CCCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480526505 1184541967 /nfs/dbraw/zinc/54/19/67/1184541967.db2.gz QEYRNXVPQNMBFD-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001505781239 1186138688 /nfs/dbraw/zinc/13/86/88/1186138688.db2.gz XTTHLGVJWSUOAJ-ABHNRTSZSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001507381198 1186410164 /nfs/dbraw/zinc/41/01/64/1186410164.db2.gz AYNASSGMXLGFJA-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)Cc2cccs2)CC1 ZINC001615818302 1193528571 /nfs/dbraw/zinc/52/85/71/1193528571.db2.gz TUKXYTNYGKVEAP-KRWDZBQOSA-N 2 1 323.550 3.027 20 0 DGADMP COCC1CCC([NH2+]C[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001549034134 1188487847 /nfs/dbraw/zinc/48/78/47/1188487847.db2.gz JPCUVUHNRQVEHB-YSNUMNBNSA-N 2 1 316.489 3.127 20 0 DGADMP O[C@@H]1CC[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]12 ZINC001549607540 1188529775 /nfs/dbraw/zinc/52/97/75/1188529775.db2.gz ZDPMTNRFLIBDSW-AQNXPRMDSA-N 2 1 314.473 3.018 20 0 DGADMP O[C@@H]1CC[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]12 ZINC001549607543 1188529906 /nfs/dbraw/zinc/52/99/06/1188529906.db2.gz ZDPMTNRFLIBDSW-ZCNNSNEGSA-N 2 1 314.473 3.018 20 0 DGADMP c1c[nH]c([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC001550133575 1188584495 /nfs/dbraw/zinc/58/44/95/1188584495.db2.gz TXGOCAFSXSAKRH-LJQANCHMSA-N 2 1 324.472 3.385 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C(C)(C)O1 ZINC001550175419 1188590775 /nfs/dbraw/zinc/59/07/75/1188590775.db2.gz PGMIBHOIHWLJPD-HYVNUMGLSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H](C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C(C)(C)O1 ZINC001550175419 1188590781 /nfs/dbraw/zinc/59/07/81/1188590781.db2.gz PGMIBHOIHWLJPD-HYVNUMGLSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175147 1188590866 /nfs/dbraw/zinc/59/08/66/1188590866.db2.gz NWVUCVFMARLKKD-IPJUCJBFSA-N 2 1 318.436 3.107 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175378 1188591085 /nfs/dbraw/zinc/59/10/85/1188591085.db2.gz PSIFRIKFDFTLIH-CCXQOOOBSA-N 2 1 320.864 3.231 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175378 1188591086 /nfs/dbraw/zinc/59/10/86/1188591086.db2.gz PSIFRIKFDFTLIH-CCXQOOOBSA-N 2 1 320.864 3.231 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC001550243708 1188597161 /nfs/dbraw/zinc/59/71/61/1188597161.db2.gz VXAYZZYGHFYTCU-OAHLLOKOSA-N 2 1 313.367 3.066 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC001550243708 1188597164 /nfs/dbraw/zinc/59/71/64/1188597164.db2.gz VXAYZZYGHFYTCU-OAHLLOKOSA-N 2 1 313.367 3.066 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001550241546 1188597172 /nfs/dbraw/zinc/59/71/72/1188597172.db2.gz GWTSHHLGLUNHOX-VNTMZGSJSA-N 2 1 316.489 3.269 20 0 DGADMP FC(F)(F)[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC001550243988 1188597197 /nfs/dbraw/zinc/59/71/97/1188597197.db2.gz MVLONQLFKZCYMH-DOTOQJQBSA-N 2 1 324.390 3.497 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]C3CCC(C)CC3)C2)[C@H]1C(C)C ZINC001550352860 1188608803 /nfs/dbraw/zinc/60/88/03/1188608803.db2.gz JWRZKBMTVYLYQQ-VOBNHXKRSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCC[C@H](C)C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353664 1188609980 /nfs/dbraw/zinc/60/99/80/1188609980.db2.gz MGNFYDOJQXLHPV-ZOFHRBRSSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3ccc(C)s3)C2)[C@@H]1C(C)C ZINC001550422636 1188614839 /nfs/dbraw/zinc/61/48/39/1188614839.db2.gz BBQFHISCIDNASY-XSLAGTTESA-N 2 1 322.518 3.016 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C2([C@H]3CCCCO3)CCC2)C1 ZINC001550520995 1188618672 /nfs/dbraw/zinc/61/86/72/1188618672.db2.gz RINWNMLTCNMVMY-BZUAXINKSA-N 2 1 303.450 3.138 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)C[C@H]2C1 ZINC001550540534 1188621725 /nfs/dbraw/zinc/62/17/25/1188621725.db2.gz GETSAMOXLZBNNV-LSDHHAIUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]2C1 ZINC001550540534 1188621727 /nfs/dbraw/zinc/62/17/27/1188621727.db2.gz GETSAMOXLZBNNV-LSDHHAIUSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]2C1 ZINC001550540534 1188621730 /nfs/dbraw/zinc/62/17/30/1188621730.db2.gz GETSAMOXLZBNNV-LSDHHAIUSA-N 2 1 315.848 3.272 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)o1 ZINC001550541178 1188622278 /nfs/dbraw/zinc/62/22/78/1188622278.db2.gz RTOULIVKVCSBBC-HOTGVXAUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@H]3C2)o1 ZINC001550541178 1188622283 /nfs/dbraw/zinc/62/22/83/1188622283.db2.gz RTOULIVKVCSBBC-HOTGVXAUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC001550541178 1188622285 /nfs/dbraw/zinc/62/22/85/1188622285.db2.gz RTOULIVKVCSBBC-HOTGVXAUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC001550541178 1188622295 /nfs/dbraw/zinc/62/22/95/1188622295.db2.gz RTOULIVKVCSBBC-HOTGVXAUSA-N 2 1 311.429 3.034 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542944 1188622643 /nfs/dbraw/zinc/62/26/43/1188622643.db2.gz BIHOHXQCMXQGFH-JKSUJKDBSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542944 1188622645 /nfs/dbraw/zinc/62/26/45/1188622645.db2.gz BIHOHXQCMXQGFH-JKSUJKDBSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542944 1188622646 /nfs/dbraw/zinc/62/26/46/1188622646.db2.gz BIHOHXQCMXQGFH-JKSUJKDBSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542944 1188622648 /nfs/dbraw/zinc/62/26/48/1188622648.db2.gz BIHOHXQCMXQGFH-JKSUJKDBSA-N 2 1 313.470 3.194 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(F)cc1C ZINC001551261663 1188723102 /nfs/dbraw/zinc/72/31/02/1188723102.db2.gz OUNSYURSPGFOPA-YQQAZPJKSA-N 2 1 320.452 3.305 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001617860513 1193583572 /nfs/dbraw/zinc/58/35/72/1193583572.db2.gz QMZXSALOALNZOA-UXHICEINSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001617860513 1193583573 /nfs/dbraw/zinc/58/35/73/1193583573.db2.gz QMZXSALOALNZOA-UXHICEINSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001617860513 1193583575 /nfs/dbraw/zinc/58/35/75/1193583575.db2.gz QMZXSALOALNZOA-UXHICEINSA-N 2 1 318.505 3.131 20 0 DGADMP C[C@@H](O)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001552216669 1188825117 /nfs/dbraw/zinc/82/51/17/1188825117.db2.gz XVJVXZKQFFLBMD-APWZRJJASA-N 2 1 302.462 3.018 20 0 DGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001553028253 1188891833 /nfs/dbraw/zinc/89/18/33/1188891833.db2.gz XAIKKXZDYJPZGH-USXIJHARSA-N 2 1 301.478 3.245 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCN1CCCc2ccccc21 ZINC001559567212 1189217857 /nfs/dbraw/zinc/21/78/57/1189217857.db2.gz ADZFZAJWUIZNPX-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCN1CCCc2ccccc21 ZINC001559567212 1189217862 /nfs/dbraw/zinc/21/78/62/1189217862.db2.gz ADZFZAJWUIZNPX-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCN1CCCc2ccccc21 ZINC001559567212 1189217866 /nfs/dbraw/zinc/21/78/66/1189217866.db2.gz ADZFZAJWUIZNPX-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCN1CCCc2ccccc21 ZINC001559567212 1189217870 /nfs/dbraw/zinc/21/78/70/1189217870.db2.gz ADZFZAJWUIZNPX-LJQANCHMSA-N 2 1 315.505 3.245 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC001559584441 1189220479 /nfs/dbraw/zinc/22/04/79/1189220479.db2.gz MDGTVWWHLYMIKZ-HJWJTTGWSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC001559584441 1189220483 /nfs/dbraw/zinc/22/04/83/1189220483.db2.gz MDGTVWWHLYMIKZ-HJWJTTGWSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584441 1189220488 /nfs/dbraw/zinc/22/04/88/1189220488.db2.gz MDGTVWWHLYMIKZ-HJWJTTGWSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC001559584441 1189220491 /nfs/dbraw/zinc/22/04/91/1189220491.db2.gz MDGTVWWHLYMIKZ-HJWJTTGWSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001559945667 1189259803 /nfs/dbraw/zinc/25/98/03/1189259803.db2.gz AMQNMXMPQQGKDE-UZLBHIALSA-N 2 1 312.457 3.289 20 0 DGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC001559946261 1189260067 /nfs/dbraw/zinc/26/00/67/1189260067.db2.gz OZBLOHUQJUFJTI-IEBWSBKVSA-N 2 1 304.478 3.061 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001560042895 1189272738 /nfs/dbraw/zinc/27/27/38/1189272738.db2.gz DRCJCEVNFALPEX-OALUTQOASA-N 2 1 304.478 3.121 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H]2CC(C)(C)CO2)CC1 ZINC001560069706 1189275557 /nfs/dbraw/zinc/27/55/57/1189275557.db2.gz ZCWSBRHDNHCMRQ-MSOLQXFVSA-N 2 1 308.510 3.388 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1COc2ccccc2O1 ZINC001560100167 1189278269 /nfs/dbraw/zinc/27/82/69/1189278269.db2.gz GEZQNQFHJKOPPT-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP C[C@H]1C[N@@H+](CCc2ccccc2Cl)CCN1c1cc[nH+]cc1 ZINC001560108394 1189279169 /nfs/dbraw/zinc/27/91/69/1189279169.db2.gz BDCCOGSHOVXKBQ-HNNXBMFYSA-N 2 1 315.848 3.488 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](C4CC(OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001560238698 1189297341 /nfs/dbraw/zinc/29/73/41/1189297341.db2.gz VNXMUHBNXDSYLU-JVPGXQPFSA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](C4CC(OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001560238698 1189297344 /nfs/dbraw/zinc/29/73/44/1189297344.db2.gz VNXMUHBNXDSYLU-JVPGXQPFSA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](C4CC(OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001560238698 1189297347 /nfs/dbraw/zinc/29/73/47/1189297347.db2.gz VNXMUHBNXDSYLU-JVPGXQPFSA-N 2 1 306.494 3.140 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(C(C)C)CC2)CC1 ZINC001560264538 1189302625 /nfs/dbraw/zinc/30/26/25/1189302625.db2.gz BUFGJCIUMSJFHX-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP CCC(CC)C[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC001560270001 1189303199 /nfs/dbraw/zinc/30/31/99/1189303199.db2.gz AZWNIUZXMVGSGZ-UHFFFAOYSA-N 2 1 317.521 3.350 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001560312914 1189309592 /nfs/dbraw/zinc/30/95/92/1189309592.db2.gz YIIQNQXKWKXMCT-KRWDZBQOSA-N 2 1 315.486 3.106 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001560312914 1189309597 /nfs/dbraw/zinc/30/95/97/1189309597.db2.gz YIIQNQXKWKXMCT-KRWDZBQOSA-N 2 1 315.486 3.106 20 0 DGADMP CC[C@H]1CCC[C@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001560318551 1189311239 /nfs/dbraw/zinc/31/12/39/1189311239.db2.gz RBYVAQNYRSBFRF-ROUUACIJSA-N 2 1 308.510 3.437 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC001560533730 1189337652 /nfs/dbraw/zinc/33/76/52/1189337652.db2.gz XDJZIWIRGZTLPP-MSOLQXFVSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)[NH+](C)C ZINC001560546830 1189339633 /nfs/dbraw/zinc/33/96/33/1189339633.db2.gz KQYGCGNJHNBFSY-AWEZNQCLSA-N 2 1 321.465 3.463 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC001560622662 1189350623 /nfs/dbraw/zinc/35/06/23/1189350623.db2.gz MCPFQGAXSNQZLT-CMKODMSKSA-N 2 1 307.441 3.178 20 0 DGADMP Cc1ccc(N2CC[N@@H+](CC3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC001560681758 1189359462 /nfs/dbraw/zinc/35/94/62/1189359462.db2.gz UMTZRIINJSDKSR-GOSISDBHSA-N 2 1 315.505 3.156 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC001560755804 1189375995 /nfs/dbraw/zinc/37/59/95/1189375995.db2.gz SZWSZNRPWHHIJL-DEFHTRQUSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC001560755804 1189376002 /nfs/dbraw/zinc/37/60/02/1189376002.db2.gz SZWSZNRPWHHIJL-DEFHTRQUSA-N 2 1 308.510 3.292 20 0 DGADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001560947759 1189409370 /nfs/dbraw/zinc/40/93/70/1189409370.db2.gz HEDHPRNZXGRCTN-HNAYVOBHSA-N 2 1 320.525 3.097 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001569518295 1190712168 /nfs/dbraw/zinc/71/21/68/1190712168.db2.gz DRWYHBDFZJNTRI-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](C[NH3+])C2)c(C)c1 ZINC001574130064 1191441661 /nfs/dbraw/zinc/44/16/61/1191441661.db2.gz XOGMGPSYOHTSBJ-QGZVFWFLSA-N 2 1 317.477 3.001 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001575453547 1191482857 /nfs/dbraw/zinc/48/28/57/1191482857.db2.gz RKMNODCGSZRUJX-VQTJNVASSA-N 2 1 314.473 3.048 20 0 DGADMP CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001575550565 1191490288 /nfs/dbraw/zinc/49/02/88/1191490288.db2.gz WWLRKCVYZGLDRT-UFYCRDLUSA-N 2 1 318.505 3.208 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001575566600 1191492868 /nfs/dbraw/zinc/49/28/68/1191492868.db2.gz ZEXJWNCKDWXDMN-WDSOQIARSA-N 2 1 310.526 3.403 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC001575741388 1191505010 /nfs/dbraw/zinc/50/50/10/1191505010.db2.gz QDWLNZBVFNWTJT-YJBOKZPZSA-N 2 1 318.461 3.201 20 0 DGADMP C[C@H](CC[N@H+]1CCC2(C1)CC[NH2+]CC2)OCc1ccccc1 ZINC001575962363 1191519163 /nfs/dbraw/zinc/51/91/63/1191519163.db2.gz QCMDNITYWAMUCA-QGZVFWFLSA-N 2 1 302.462 3.057 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1cc(F)cc2cccnc21 ZINC001576388764 1191580933 /nfs/dbraw/zinc/58/09/33/1191580933.db2.gz BPVIZEBGTBMRGH-JQHSSLGASA-N 2 1 313.420 3.240 20 0 DGADMP CC(C)Cc1ccccc1C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC001618063773 1193723762 /nfs/dbraw/zinc/72/37/62/1193723762.db2.gz UJGWHLCJSAFGMK-UHFFFAOYSA-N 2 1 318.505 3.210 20 0 DGADMP OC[C@@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001619198862 1193757290 /nfs/dbraw/zinc/75/72/90/1193757290.db2.gz PAPDVGFDDXJCPZ-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C)c(C)c1 ZINC001620588625 1193781417 /nfs/dbraw/zinc/78/14/17/1193781417.db2.gz ZEOIVJGEBOHQOJ-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001620588625 1193781411 /nfs/dbraw/zinc/78/14/11/1193781411.db2.gz ZEOIVJGEBOHQOJ-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001620588625 1193781413 /nfs/dbraw/zinc/78/14/13/1193781413.db2.gz ZEOIVJGEBOHQOJ-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C)c(C)c1 ZINC001620588625 1193781416 /nfs/dbraw/zinc/78/14/16/1193781416.db2.gz ZEOIVJGEBOHQOJ-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP Cc1csc2nc(C)c(C[NH2+]CC3(C[NH+](C)C)CCCC3)n12 ZINC001621234367 1193821059 /nfs/dbraw/zinc/82/10/59/1193821059.db2.gz PYCNDWZNKWGZIV-UHFFFAOYSA-N 2 1 320.506 3.224 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001621243681 1193821639 /nfs/dbraw/zinc/82/16/39/1193821639.db2.gz QFZABWAPGVHIQZ-CYBMUJFWSA-N 2 1 308.376 3.071 20 0 DGADMP CC[NH+]1CCC(CNc2[nH+]cccc2CCCCOC)CC1 ZINC001621350537 1193832380 /nfs/dbraw/zinc/83/23/80/1193832380.db2.gz OAYMYMBEVZOACF-UHFFFAOYSA-N 2 1 305.466 3.195 20 0 DGADMP CCC[N@@H+](CCN1CCCCCC1)CC1CC[NH+](CC)CC1 ZINC001621365217 1193834150 /nfs/dbraw/zinc/83/41/50/1193834150.db2.gz HUGKPCUMQLCFDW-UHFFFAOYSA-N 2 1 309.542 3.306 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC001621445916 1193843466 /nfs/dbraw/zinc/84/34/66/1193843466.db2.gz CPAGAOGGFUFHSS-NVXWUHKLSA-N 2 1 317.477 3.018 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC001621445916 1193843470 /nfs/dbraw/zinc/84/34/70/1193843470.db2.gz CPAGAOGGFUFHSS-NVXWUHKLSA-N 2 1 317.477 3.018 20 0 DGADMP CC[NH+](CC)CCOc1cccc(N[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001621563497 1193858753 /nfs/dbraw/zinc/85/87/53/1193858753.db2.gz AOWZDPBUJCJDDU-SFHVURJKSA-N 2 1 319.493 3.303 20 0 DGADMP CC[N@@H+](Cc1ccc(F)c(Br)c1)C1CC[NH2+]CC1 ZINC000037538743 1193935388 /nfs/dbraw/zinc/93/53/88/1193935388.db2.gz MUGFHHYFXGDAMW-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000052070330 1194675097 /nfs/dbraw/zinc/67/50/97/1194675097.db2.gz QCHZCUQYIYMRTL-UHFFFAOYSA-N 2 1 318.505 3.442 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC3CC[NH+](CC)CC3)c12 ZINC001639536928 1194770377 /nfs/dbraw/zinc/77/03/77/1194770377.db2.gz PEDZLTGMAMUSIK-UHFFFAOYSA-N 2 1 301.438 3.006 20 0 DGADMP C[NH+](C)Cc1cc(NC(=O)C2([NH+](C)C)CCCC2)ccc1Cl ZINC001639627571 1194774776 /nfs/dbraw/zinc/77/47/76/1194774776.db2.gz NCJCCPLYHYWKDY-UHFFFAOYSA-N 2 1 323.868 3.215 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001641721723 1194868224 /nfs/dbraw/zinc/86/82/24/1194868224.db2.gz JOOVYIVTKUTXLA-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001641721723 1194868226 /nfs/dbraw/zinc/86/82/26/1194868226.db2.gz JOOVYIVTKUTXLA-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001641721723 1194868227 /nfs/dbraw/zinc/86/82/27/1194868227.db2.gz JOOVYIVTKUTXLA-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CC(CC[N@@H+](C)CCCN(C)CC[NH+](C)C)C[C@@H](C)C1 ZINC001643311802 1195014154 /nfs/dbraw/zinc/01/41/54/1195014154.db2.gz APCQOBSUJZJGDQ-ROUUACIJSA-N 2 1 311.558 3.264 20 0 DGADMP C[C@H]1C[C@H](CC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C[C@@H](C)C1 ZINC001643980464 1195070565 /nfs/dbraw/zinc/07/05/65/1195070565.db2.gz JAJJBXQXFJHDOR-YDZRNGNQSA-N 2 1 310.526 3.491 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001644041605 1195075339 /nfs/dbraw/zinc/07/53/39/1195075339.db2.gz FWAYHRXVTPBSHJ-WOJBJXKFSA-N 2 1 316.489 3.346 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC001644571360 1195118007 /nfs/dbraw/zinc/11/80/07/1195118007.db2.gz ZRNLTYQNSDRWAJ-HOTGVXAUSA-N 2 1 317.477 3.186 20 0 DGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001644780599 1195134424 /nfs/dbraw/zinc/13/44/24/1195134424.db2.gz CJFJKFAWHSAZTB-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001644780599 1195134425 /nfs/dbraw/zinc/13/44/25/1195134425.db2.gz CJFJKFAWHSAZTB-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C[N@H+]1C ZINC001644965045 1195146520 /nfs/dbraw/zinc/14/65/20/1195146520.db2.gz JMIXLIFIMRVWBL-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CN1C ZINC001644965045 1195146522 /nfs/dbraw/zinc/14/65/22/1195146522.db2.gz JMIXLIFIMRVWBL-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)CN1C ZINC001644965045 1195146524 /nfs/dbraw/zinc/14/65/24/1195146524.db2.gz JMIXLIFIMRVWBL-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2)CC1 ZINC000061070287 1195173292 /nfs/dbraw/zinc/17/32/92/1195173292.db2.gz DYMWXHWORQZFOH-UHFFFAOYSA-N 2 1 323.484 3.114 20 0 DGADMP C[N@H+](CCC(C)(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001646412921 1195227994 /nfs/dbraw/zinc/22/79/94/1195227994.db2.gz BXIZHUDTZMUILS-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP C[N@@H+](CCC(C)(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001646412921 1195227998 /nfs/dbraw/zinc/22/79/98/1195227998.db2.gz BXIZHUDTZMUILS-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP Cc1scc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001647026964 1195240567 /nfs/dbraw/zinc/24/05/67/1195240567.db2.gz WDZKUJRHGAUKQX-OKILXGFUSA-N 2 1 310.507 3.344 20 0 DGADMP C[C@H](CCSc1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001647977872 1195269070 /nfs/dbraw/zinc/26/90/70/1195269070.db2.gz OGLREODGQNTVOU-ZACQAIPSSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001647977872 1195269074 /nfs/dbraw/zinc/26/90/74/1195269074.db2.gz OGLREODGQNTVOU-ZACQAIPSSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001647977872 1195269075 /nfs/dbraw/zinc/26/90/75/1195269075.db2.gz OGLREODGQNTVOU-ZACQAIPSSA-N 2 1 304.503 3.441 20 0 DGADMP COCCCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001648034912 1195272619 /nfs/dbraw/zinc/27/26/19/1195272619.db2.gz DEOCOJBLLFCBFJ-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP c1cc2n(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001648265231 1195288104 /nfs/dbraw/zinc/28/81/04/1195288104.db2.gz DCSRWPXKACTJQJ-UHFFFAOYSA-N 2 1 309.457 3.490 20 0 DGADMP c1cc2n(c1)CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001648265231 1195288108 /nfs/dbraw/zinc/28/81/08/1195288108.db2.gz DCSRWPXKACTJQJ-UHFFFAOYSA-N 2 1 309.457 3.490 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](C)CC ZINC001651226813 1195428969 /nfs/dbraw/zinc/42/89/69/1195428969.db2.gz CSPOKQPLOKZKGG-BHIYHBOVSA-N 2 1 304.478 3.159 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](C)CC ZINC001651226813 1195428973 /nfs/dbraw/zinc/42/89/73/1195428973.db2.gz CSPOKQPLOKZKGG-BHIYHBOVSA-N 2 1 304.478 3.159 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncn2CCC)CC1 ZINC001651888863 1195519678 /nfs/dbraw/zinc/51/96/78/1195519678.db2.gz POVKHCNPNZVAIH-UHFFFAOYSA-N 2 1 306.498 3.237 20 0 DGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C12CCC2 ZINC001652321348 1195582013 /nfs/dbraw/zinc/58/20/13/1195582013.db2.gz OMWOFNUYQFDUJG-KZNAEPCWSA-N 2 1 306.494 3.331 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@]2(C)CCCCO2)CC1 ZINC001652352098 1195586873 /nfs/dbraw/zinc/58/68/73/1195586873.db2.gz HHOUIHWXMUYZDA-SFHVURJKSA-N 2 1 304.434 3.192 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000067121218 1195594455 /nfs/dbraw/zinc/59/44/55/1195594455.db2.gz AJDMDSUJOYPFAL-SNVBAGLBSA-N 2 1 306.784 3.371 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001652468526 1195602268 /nfs/dbraw/zinc/60/22/68/1195602268.db2.gz KIQKGKHXQLZFPY-PIKOESSRSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001652468526 1195602272 /nfs/dbraw/zinc/60/22/72/1195602272.db2.gz KIQKGKHXQLZFPY-PIKOESSRSA-N 2 1 314.473 3.105 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC001652936584 1195672477 /nfs/dbraw/zinc/67/24/77/1195672477.db2.gz AYHFYCKHRSLSTQ-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC001652936584 1195672478 /nfs/dbraw/zinc/67/24/78/1195672478.db2.gz AYHFYCKHRSLSTQ-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP CC[C@@]1(CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001653340197 1195712504 /nfs/dbraw/zinc/71/25/04/1195712504.db2.gz VRELCFPTPGSUFM-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001653510344 1195729439 /nfs/dbraw/zinc/72/94/39/1195729439.db2.gz SQJSKSWFCXRDFO-XIRDDKMYSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001653510344 1195729441 /nfs/dbraw/zinc/72/94/41/1195729441.db2.gz SQJSKSWFCXRDFO-XIRDDKMYSA-N 2 1 308.416 3.309 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001653510344 1195729443 /nfs/dbraw/zinc/72/94/43/1195729443.db2.gz SQJSKSWFCXRDFO-XIRDDKMYSA-N 2 1 308.416 3.309 20 0 DGADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218648 1195784813 /nfs/dbraw/zinc/78/48/13/1195784813.db2.gz ODRKFLLIVMMGLE-SXLOBPIMSA-N 2 1 316.489 3.398 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CCN(C)c2ccccc2)CC1 ZINC001654446437 1195804974 /nfs/dbraw/zinc/80/49/74/1195804974.db2.gz OYMIEBHQNDNFDX-UHFFFAOYSA-N 2 1 315.505 3.463 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCc2cscn2)CC1 ZINC001654512106 1195811476 /nfs/dbraw/zinc/81/14/76/1195811476.db2.gz HZKQJXPCPMPZCJ-KRWDZBQOSA-N 2 1 307.507 3.272 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCc2cscn2)CC1 ZINC001654512106 1195811479 /nfs/dbraw/zinc/81/14/79/1195811479.db2.gz HZKQJXPCPMPZCJ-KRWDZBQOSA-N 2 1 307.507 3.272 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540712 1195814368 /nfs/dbraw/zinc/81/43/68/1195814368.db2.gz IUIMJPSSGHXHDY-QZWWFDLISA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540712 1195814370 /nfs/dbraw/zinc/81/43/70/1195814370.db2.gz IUIMJPSSGHXHDY-QZWWFDLISA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540712 1195814374 /nfs/dbraw/zinc/81/43/74/1195814374.db2.gz IUIMJPSSGHXHDY-QZWWFDLISA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)CC[C@@H]21 ZINC001654540712 1195814379 /nfs/dbraw/zinc/81/43/79/1195814379.db2.gz IUIMJPSSGHXHDY-QZWWFDLISA-N 2 1 306.400 3.061 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2)nc1)C[NH+]1CCCCC1 ZINC000069784028 1195820015 /nfs/dbraw/zinc/82/00/15/1195820015.db2.gz XFZRALFKEWTHLC-QGZVFWFLSA-N 2 1 324.472 3.355 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001654626067 1195824016 /nfs/dbraw/zinc/82/40/16/1195824016.db2.gz BOHRKOPSNHZBEI-KRWDZBQOSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001654626067 1195824020 /nfs/dbraw/zinc/82/40/20/1195824020.db2.gz BOHRKOPSNHZBEI-KRWDZBQOSA-N 2 1 312.498 3.162 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001655130692 1195879645 /nfs/dbraw/zinc/87/96/45/1195879645.db2.gz LAHHQXJLWHKPKF-DLBZAZTESA-N 3 1 318.509 3.302 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001655130692 1195879648 /nfs/dbraw/zinc/87/96/48/1195879648.db2.gz LAHHQXJLWHKPKF-DLBZAZTESA-N 3 1 318.509 3.302 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001655130692 1195879651 /nfs/dbraw/zinc/87/96/51/1195879651.db2.gz LAHHQXJLWHKPKF-DLBZAZTESA-N 3 1 318.509 3.302 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CCCC1 ZINC001655209003 1195891697 /nfs/dbraw/zinc/89/16/97/1195891697.db2.gz CKZGZSRADINONV-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)C1 ZINC001655282691 1195899284 /nfs/dbraw/zinc/89/92/84/1195899284.db2.gz LOJTYCRVPHWRAQ-XLIONFOSSA-N 2 1 316.489 3.435 20 0 DGADMP CC1(C)CC2(CO1)CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC001655309622 1195902555 /nfs/dbraw/zinc/90/25/55/1195902555.db2.gz GSPKXWVXSRMDAV-VZDIDWBNSA-N 2 1 306.494 3.331 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001655329808 1195904758 /nfs/dbraw/zinc/90/47/58/1195904758.db2.gz LMILWBAEQADCBI-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001655329808 1195904763 /nfs/dbraw/zinc/90/47/63/1195904763.db2.gz LMILWBAEQADCBI-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001655560701 1195932027 /nfs/dbraw/zinc/93/20/27/1195932027.db2.gz MZKAZUKGEICPBO-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP Cc1ccnc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001655627431 1195942845 /nfs/dbraw/zinc/94/28/45/1195942845.db2.gz DLYMBCUJIISWKJ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccnc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001655627431 1195942848 /nfs/dbraw/zinc/94/28/48/1195942848.db2.gz DLYMBCUJIISWKJ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccnc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001655627431 1195942852 /nfs/dbraw/zinc/94/28/52/1195942852.db2.gz DLYMBCUJIISWKJ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001655627431 1195942856 /nfs/dbraw/zinc/94/28/56/1195942856.db2.gz DLYMBCUJIISWKJ-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP CC[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001655962016 1195983650 /nfs/dbraw/zinc/98/36/50/1195983650.db2.gz GPYGDZXRWYBENM-AZUAARDMSA-N 2 1 316.489 3.446 20 0 DGADMP CCc1[nH]nc(Cl)c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC001656063763 1195993768 /nfs/dbraw/zinc/99/37/68/1195993768.db2.gz BEOBLXOBFCNXFI-CYBMUJFWSA-N 2 1 312.889 3.370 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001656068877 1195993870 /nfs/dbraw/zinc/99/38/70/1195993870.db2.gz UDLFFJUKXCOSIL-GOEBONIOSA-N 2 1 318.461 3.143 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001656068877 1195993872 /nfs/dbraw/zinc/99/38/72/1195993872.db2.gz UDLFFJUKXCOSIL-GOEBONIOSA-N 2 1 318.461 3.143 20 0 DGADMP c1nc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2s1 ZINC001656217529 1196019326 /nfs/dbraw/zinc/01/93/26/1196019326.db2.gz MJWIQKAILDJXMM-UHFFFAOYSA-N 2 1 301.459 3.403 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC001656395415 1196035586 /nfs/dbraw/zinc/03/55/86/1196035586.db2.gz RBEFUSVBDFCCKL-DLBZAZTESA-N 2 1 302.462 3.263 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001656517327 1196046876 /nfs/dbraw/zinc/04/68/76/1196046876.db2.gz NRRMISVCKWRJHM-HXUWFJFHSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001656702482 1196063690 /nfs/dbraw/zinc/06/36/90/1196063690.db2.gz OVVUABYJICZEHP-UHFFFAOYSA-N 2 1 308.441 3.113 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001656947093 1196085700 /nfs/dbraw/zinc/08/57/00/1196085700.db2.gz KSDUJUANWKQZPH-ZACQAIPSSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001656947093 1196085702 /nfs/dbraw/zinc/08/57/02/1196085702.db2.gz KSDUJUANWKQZPH-ZACQAIPSSA-N 2 1 302.462 3.263 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC001657148568 1196111580 /nfs/dbraw/zinc/11/15/80/1196111580.db2.gz ITNXLDQTXSJOJI-YSVLISHTSA-N 2 1 315.848 3.318 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001657159998 1196112963 /nfs/dbraw/zinc/11/29/63/1196112963.db2.gz ZUQMHDWSBQVITE-MRXNPFEDSA-N 2 1 320.477 3.448 20 0 DGADMP COC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC001657192076 1196116711 /nfs/dbraw/zinc/11/67/11/1196116711.db2.gz BCISULJDMJWEFA-RTBURBONSA-N 2 1 310.526 3.493 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001657215099 1196120058 /nfs/dbraw/zinc/12/00/58/1196120058.db2.gz VJQSLUSLTPMJBV-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001657215099 1196120061 /nfs/dbraw/zinc/12/00/61/1196120061.db2.gz VJQSLUSLTPMJBV-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001657303989 1196128900 /nfs/dbraw/zinc/12/89/00/1196128900.db2.gz GODUPESIYFJCEW-HXUWFJFHSA-N 3 1 321.553 3.162 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001657611582 1196160652 /nfs/dbraw/zinc/16/06/52/1196160652.db2.gz DJNAIWUMCNMNGP-GOSISDBHSA-N 2 1 306.494 3.167 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC001657611896 1196161146 /nfs/dbraw/zinc/16/11/46/1196161146.db2.gz QXUYFSPRMPWQSS-INIZCTEOSA-N 2 1 312.885 3.139 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C2 ZINC001657680356 1196169038 /nfs/dbraw/zinc/16/90/38/1196169038.db2.gz CTSLPQSIDIZUIA-FUHWJXTLSA-N 2 1 316.489 3.264 20 0 DGADMP COc1ccsc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001657766170 1196176006 /nfs/dbraw/zinc/17/60/06/1196176006.db2.gz KYKVTQRPBLHUNT-UONOGXRCSA-N 2 1 308.491 3.499 20 0 DGADMP COc1ccsc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001657766170 1196176013 /nfs/dbraw/zinc/17/60/13/1196176013.db2.gz KYKVTQRPBLHUNT-UONOGXRCSA-N 2 1 308.491 3.499 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001658486424 1196262713 /nfs/dbraw/zinc/26/27/13/1196262713.db2.gz ATQJELFBMMHBGB-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCSC4)[C@@H]3C2)cc1 ZINC001658576969 1196275698 /nfs/dbraw/zinc/27/56/98/1196275698.db2.gz BZNNKOQWGWCHOE-OKYOBFRVSA-N 2 1 316.514 3.382 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)[C@H]1Sc1ccccc1 ZINC001658642346 1196283027 /nfs/dbraw/zinc/28/30/27/1196283027.db2.gz UQEHAZGOEDCRMN-BZZMCLGOSA-N 2 1 322.518 3.255 20 0 DGADMP CC[C@H]1CCCC[C@H]1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001658697346 1196288885 /nfs/dbraw/zinc/28/88/85/1196288885.db2.gz XCJBKJYROQPZME-OALUTQOASA-N 2 1 310.526 3.493 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCC34CCOCC4)C2)C1 ZINC001658773281 1196298559 /nfs/dbraw/zinc/29/85/59/1196298559.db2.gz KXVHGVVIMWNBPQ-ZWKOTPCHSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCCC34CCOCC4)C2)C1 ZINC001658773281 1196298563 /nfs/dbraw/zinc/29/85/63/1196298563.db2.gz KXVHGVVIMWNBPQ-ZWKOTPCHSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCCC34CCOCC4)C2)C1 ZINC001658773281 1196298567 /nfs/dbraw/zinc/29/85/67/1196298567.db2.gz KXVHGVVIMWNBPQ-ZWKOTPCHSA-N 2 1 306.494 3.001 20 0 DGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001658823271 1196304546 /nfs/dbraw/zinc/30/45/46/1196304546.db2.gz FMMUETHDKHXTBZ-HKUYNNGSSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001658823271 1196304550 /nfs/dbraw/zinc/30/45/50/1196304550.db2.gz FMMUETHDKHXTBZ-HKUYNNGSSA-N 2 1 309.457 3.390 20 0 DGADMP CCO[C@@H](C[NH2+][C@@H](CC)Cc1ccc(Cl)cc1)C[NH+](C)C ZINC001658880086 1196313570 /nfs/dbraw/zinc/31/35/70/1196313570.db2.gz NJZSSDGEMQLEOZ-IRXDYDNUSA-N 2 1 312.885 3.217 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2N(C)C)CC1 ZINC001659132011 1196349519 /nfs/dbraw/zinc/34/95/19/1196349519.db2.gz TVNURRNXEWWDAD-CQSZACIVSA-N 2 1 307.457 3.415 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001659341087 1196372119 /nfs/dbraw/zinc/37/21/19/1196372119.db2.gz IZECHEZPMSEWKP-UWVAXJGDSA-N 2 1 318.505 3.033 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001659341087 1196372123 /nfs/dbraw/zinc/37/21/23/1196372123.db2.gz IZECHEZPMSEWKP-UWVAXJGDSA-N 2 1 318.505 3.033 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421365 1196381833 /nfs/dbraw/zinc/38/18/33/1196381833.db2.gz VYAGNLADHCAHNJ-IRXDYDNUSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC001659421365 1196381836 /nfs/dbraw/zinc/38/18/36/1196381836.db2.gz VYAGNLADHCAHNJ-IRXDYDNUSA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC001659421365 1196381838 /nfs/dbraw/zinc/38/18/38/1196381838.db2.gz VYAGNLADHCAHNJ-IRXDYDNUSA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001659716938 1196408092 /nfs/dbraw/zinc/40/80/92/1196408092.db2.gz YAKVJUQEDMVEGG-MSOLQXFVSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)COc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001659716938 1196408095 /nfs/dbraw/zinc/40/80/95/1196408095.db2.gz YAKVJUQEDMVEGG-MSOLQXFVSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001659716938 1196408097 /nfs/dbraw/zinc/40/80/97/1196408097.db2.gz YAKVJUQEDMVEGG-MSOLQXFVSA-N 2 1 302.462 3.105 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1OC(C)C ZINC000075780842 1196421608 /nfs/dbraw/zinc/42/16/08/1196421608.db2.gz VQDCBPONMOGRRY-OAHLLOKOSA-N 2 1 318.461 3.056 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1OC(C)C ZINC000075780842 1196421611 /nfs/dbraw/zinc/42/16/11/1196421611.db2.gz VQDCBPONMOGRRY-OAHLLOKOSA-N 2 1 318.461 3.056 20 0 DGADMP CC(C)C[N@@H+](CCN1C[C@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC001659898411 1196426933 /nfs/dbraw/zinc/42/69/33/1196426933.db2.gz BMFGECQHVNZIHH-KDURUIRLSA-N 2 1 323.569 3.264 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@H]2c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001659917555 1196428900 /nfs/dbraw/zinc/42/89/00/1196428900.db2.gz CUIFDTMPCNYANN-POAQFYNOSA-N 2 1 307.441 3.396 20 0 DGADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000076443422 1196480945 /nfs/dbraw/zinc/48/09/45/1196480945.db2.gz ZCRVSIDRTSCGQQ-LJQANCHMSA-N 2 1 312.432 3.480 20 0 DGADMP C[C@@H]1C[N@@H+](CC2Cc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC001660592508 1196501219 /nfs/dbraw/zinc/50/12/19/1196501219.db2.gz CREUVPRCJSTVMH-MRXNPFEDSA-N 2 1 307.441 3.007 20 0 DGADMP CCc1ncc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC001662133934 1196685317 /nfs/dbraw/zinc/68/53/17/1196685317.db2.gz XCCPOAZUNPGAGK-UHFFFAOYSA-N 2 1 307.507 3.450 20 0 DGADMP CC(C)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001663998911 1196964398 /nfs/dbraw/zinc/96/43/98/1196964398.db2.gz ZHYTVOFRBZMEIP-APWZRJJASA-N 2 1 304.478 3.168 20 0 DGADMP CC(C)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001663998912 1196964565 /nfs/dbraw/zinc/96/45/65/1196964565.db2.gz ZHYTVOFRBZMEIP-LPHOPBHVSA-N 2 1 304.478 3.168 20 0 DGADMP CCO[C@@H](C[NH2+][C@@H](C)CC(C)(C)c1ccccc1)C[NH+](C)C ZINC001665623288 1197160767 /nfs/dbraw/zinc/16/07/67/1197160767.db2.gz DDMQTAKDFPVAAC-WMZOPIPTSA-N 2 1 306.494 3.299 20 0 DGADMP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001666976441 1197304077 /nfs/dbraw/zinc/30/40/77/1197304077.db2.gz DUGVYQQLKNNPOY-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000084660411 1197530409 /nfs/dbraw/zinc/53/04/09/1197530409.db2.gz SFOREGBABGPTLP-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000084660411 1197530412 /nfs/dbraw/zinc/53/04/12/1197530412.db2.gz SFOREGBABGPTLP-LBPRGKRZSA-N 2 1 307.488 3.303 20 0 DGADMP CCCCCC[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671648244 1197557207 /nfs/dbraw/zinc/55/72/07/1197557207.db2.gz DLXLGPVEWMGYTJ-PKOBYXMFSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001671648244 1197557209 /nfs/dbraw/zinc/55/72/09/1197557209.db2.gz DLXLGPVEWMGYTJ-PKOBYXMFSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001671648244 1197557211 /nfs/dbraw/zinc/55/72/11/1197557211.db2.gz DLXLGPVEWMGYTJ-PKOBYXMFSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OC ZINC000323740138 1197690977 /nfs/dbraw/zinc/69/09/77/1197690977.db2.gz BFXCNGGEOPWNDJ-HNNXBMFYSA-N 2 1 320.477 3.475 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+](C)C2CCCC2)C1 ZINC000088715471 1197769852 /nfs/dbraw/zinc/76/98/52/1197769852.db2.gz KKGRFKIWJKKWPE-HKUYNNGSSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC000088715471 1197769860 /nfs/dbraw/zinc/76/98/60/1197769860.db2.gz KKGRFKIWJKKWPE-HKUYNNGSSA-N 2 1 315.505 3.286 20 0 DGADMP CCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001674939438 1197927767 /nfs/dbraw/zinc/92/77/67/1197927767.db2.gz VKZDFOUKBJIGMX-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001674939438 1197927775 /nfs/dbraw/zinc/92/77/75/1197927775.db2.gz VKZDFOUKBJIGMX-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001674939438 1197927779 /nfs/dbraw/zinc/92/77/79/1197927779.db2.gz VKZDFOUKBJIGMX-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000091057217 1198338163 /nfs/dbraw/zinc/33/81/63/1198338163.db2.gz DNRIEIJFBRXSQV-UHFFFAOYSA-N 2 1 320.440 3.224 20 0 DGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1F ZINC000093465460 1198692828 /nfs/dbraw/zinc/69/28/28/1198692828.db2.gz YRFSDSICBGUPTL-MFKMUULPSA-N 2 1 315.230 3.208 20 0 DGADMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C(C)(C)C)n1 ZINC000093948053 1198740404 /nfs/dbraw/zinc/74/04/04/1198740404.db2.gz WDZCBCQXJHMATM-UHFFFAOYSA-N 2 1 306.498 3.070 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C12CCCCC2 ZINC000315921962 1199811099 /nfs/dbraw/zinc/81/10/99/1199811099.db2.gz FLQGGQQBTYGUEJ-OKZBNKHCSA-N 2 1 308.510 3.434 20 0 DGADMP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000318900608 1199835535 /nfs/dbraw/zinc/83/55/35/1199835535.db2.gz RTUWBQZTCPHGBK-QGZVFWFLSA-N 2 1 310.388 3.254 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000318900608 1199835540 /nfs/dbraw/zinc/83/55/40/1199835540.db2.gz RTUWBQZTCPHGBK-QGZVFWFLSA-N 2 1 310.388 3.254 20 0 DGADMP CC[N@H+]1CC[C@H](CNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000119251221 1200048602 /nfs/dbraw/zinc/04/86/02/1200048602.db2.gz XJKPUGMUWIQIIS-OAHLLOKOSA-N 2 1 313.420 3.319 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000119251221 1200048616 /nfs/dbraw/zinc/04/86/16/1200048616.db2.gz XJKPUGMUWIQIIS-OAHLLOKOSA-N 2 1 313.420 3.319 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000119251221 1200048622 /nfs/dbraw/zinc/04/86/22/1200048622.db2.gz XJKPUGMUWIQIIS-OAHLLOKOSA-N 2 1 313.420 3.319 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000120190619 1200137352 /nfs/dbraw/zinc/13/73/52/1200137352.db2.gz KGZNIDYGONWDKW-MOPGFXCFSA-N 2 1 316.489 3.312 20 0 DGADMP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754239405 1200145653 /nfs/dbraw/zinc/14/56/53/1200145653.db2.gz VWKVWXBFGRCSIM-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP CCCOc1c(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cccc1OCC ZINC000120785328 1200170200 /nfs/dbraw/zinc/17/02/00/1200170200.db2.gz CXFGFRIILDNLBA-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCOc1c(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cccc1OCC ZINC000120785328 1200170204 /nfs/dbraw/zinc/17/02/04/1200170204.db2.gz CXFGFRIILDNLBA-INIZCTEOSA-N 2 1 320.477 3.306 20 0 DGADMP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754311116 1200197501 /nfs/dbraw/zinc/19/75/01/1200197501.db2.gz NDUMVBBPGHDDSR-QWPQOLDESA-N 2 1 323.525 3.044 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000122823560 1200271955 /nfs/dbraw/zinc/27/19/55/1200271955.db2.gz YFSCWLWJILXCJX-LPHOPBHVSA-N 2 1 302.462 3.187 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000130164695 1200851938 /nfs/dbraw/zinc/85/19/38/1200851938.db2.gz QYIVHMUGSYTVKT-UHFFFAOYSA-N 2 1 301.409 3.338 20 0 DGADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001698734315 1201374797 /nfs/dbraw/zinc/37/47/97/1201374797.db2.gz MJQYHTQMDFINLJ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001699635214 1201999558 /nfs/dbraw/zinc/99/95/58/1201999558.db2.gz OOGFVCGGRFBFMW-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001699635214 1201999565 /nfs/dbraw/zinc/99/95/65/1201999565.db2.gz OOGFVCGGRFBFMW-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001699635214 1201999569 /nfs/dbraw/zinc/99/95/69/1201999569.db2.gz OOGFVCGGRFBFMW-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001700185326 1202201064 /nfs/dbraw/zinc/20/10/64/1202201064.db2.gz ZNIDJPPCBRKYAP-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753699734 1202316459 /nfs/dbraw/zinc/31/64/59/1202316459.db2.gz CBLAZVKNLFOISI-MRXNPFEDSA-N 2 1 323.525 3.042 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000152760319 1202595146 /nfs/dbraw/zinc/59/51/46/1202595146.db2.gz MWRNZUACIAVEFZ-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153687930 1202596696 /nfs/dbraw/zinc/59/66/96/1202596696.db2.gz MFLQVPAGJBLQTK-NVXWUHKLSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153687930 1202596697 /nfs/dbraw/zinc/59/66/97/1202596697.db2.gz MFLQVPAGJBLQTK-NVXWUHKLSA-N 2 1 302.462 3.233 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(C)cn23)c1 ZINC000156529782 1202600770 /nfs/dbraw/zinc/60/07/70/1202600770.db2.gz HZHTXECLLYEXBY-UHFFFAOYSA-N 2 1 322.456 3.384 20 0 DGADMP CC[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000233494974 1202602731 /nfs/dbraw/zinc/60/27/31/1202602731.db2.gz ZKVVEZCCTXEXAH-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Br ZINC000234358617 1202603564 /nfs/dbraw/zinc/60/35/64/1202603564.db2.gz NWORINFLTKSLIT-AWEZNQCLSA-N 2 1 311.267 3.189 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358898 1202603601 /nfs/dbraw/zinc/60/36/01/1202603601.db2.gz IMQWKWNOXZXQSF-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358898 1202603602 /nfs/dbraw/zinc/60/36/02/1202603602.db2.gz IMQWKWNOXZXQSF-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC000234391890 1202603668 /nfs/dbraw/zinc/60/36/68/1202603668.db2.gz QTGMRTWVVJKTSY-QGZVFWFLSA-N 2 1 304.554 3.196 20 0 DGADMP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC000234391890 1202603669 /nfs/dbraw/zinc/60/36/69/1202603669.db2.gz QTGMRTWVVJKTSY-QGZVFWFLSA-N 2 1 304.554 3.196 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1Cl ZINC000235010519 1202604160 /nfs/dbraw/zinc/60/41/60/1202604160.db2.gz IVBHDZLCUKWAGX-AWEZNQCLSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000236657156 1202617287 /nfs/dbraw/zinc/61/72/87/1202617287.db2.gz PKJQESSGSHNDGQ-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCCO1 ZINC000237131530 1202649534 /nfs/dbraw/zinc/64/95/34/1202649534.db2.gz VGOYCOHTKCTOPT-SFHVURJKSA-N 2 1 304.478 3.303 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000237200045 1202655632 /nfs/dbraw/zinc/65/56/32/1202655632.db2.gz ZKDCFYJGGIBKGL-UHFFFAOYSA-N 2 1 320.477 3.064 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713826287 1202693116 /nfs/dbraw/zinc/69/31/16/1202693116.db2.gz HEOLYAZQEZNSNP-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713826287 1202693117 /nfs/dbraw/zinc/69/31/17/1202693117.db2.gz HEOLYAZQEZNSNP-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713826287 1202693118 /nfs/dbraw/zinc/69/31/18/1202693118.db2.gz HEOLYAZQEZNSNP-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000161633305 1202696961 /nfs/dbraw/zinc/69/69/61/1202696961.db2.gz TXGOBFAPGISDTB-VDZJLULYSA-N 2 1 310.445 3.150 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001714109018 1202782546 /nfs/dbraw/zinc/78/25/46/1202782546.db2.gz UAQZQUXXEXLKLG-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001714109018 1202782549 /nfs/dbraw/zinc/78/25/49/1202782549.db2.gz UAQZQUXXEXLKLG-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001714109018 1202782552 /nfs/dbraw/zinc/78/25/52/1202782552.db2.gz UAQZQUXXEXLKLG-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715074514 1203263835 /nfs/dbraw/zinc/26/38/35/1203263835.db2.gz NZUBGLKDZOTFRQ-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000164998024 1203723119 /nfs/dbraw/zinc/72/31/19/1203723119.db2.gz HORRILVJTPLSCZ-VYDXJSESSA-N 2 1 310.507 3.392 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000164998024 1203723120 /nfs/dbraw/zinc/72/31/20/1203723120.db2.gz HORRILVJTPLSCZ-VYDXJSESSA-N 2 1 310.507 3.392 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001725619839 1204182068 /nfs/dbraw/zinc/18/20/68/1204182068.db2.gz GAKCQVZABDFKHL-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001725619839 1204182070 /nfs/dbraw/zinc/18/20/70/1204182070.db2.gz GAKCQVZABDFKHL-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001725619839 1204182071 /nfs/dbraw/zinc/18/20/71/1204182071.db2.gz GAKCQVZABDFKHL-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733347877 1205101305 /nfs/dbraw/zinc/10/13/05/1205101305.db2.gz UIQWHGMWTLPTLA-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001733360091 1205105608 /nfs/dbraw/zinc/10/56/08/1205105608.db2.gz NUXBRWLYTYIUIL-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733809580 1205222527 /nfs/dbraw/zinc/22/25/27/1205222527.db2.gz NWZDJCKHAKMTFT-CMDGGOBGSA-N 2 1 323.525 3.044 20 0 DGADMP COc1ccc2c[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)cc2c1 ZINC001164767912 721294412 /nfs/dbraw/zinc/29/44/12/721294412.db2.gz BPWGLPRKJUENJG-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP COc1ccc2c[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)cc2c1 ZINC001164767912 721294417 /nfs/dbraw/zinc/29/44/17/721294417.db2.gz BPWGLPRKJUENJG-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246452765 1095283671 /nfs/dbraw/zinc/28/36/71/1095283671.db2.gz MFNVZLBRRHUMQZ-ZDUSSCGKSA-N 2 1 301.261 3.438 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC ZINC001175738847 1098151361 /nfs/dbraw/zinc/15/13/61/1098151361.db2.gz NEZKNAVCZLZZBJ-QGZVFWFLSA-N 2 1 313.530 3.173 20 0 DGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025179 1098236162 /nfs/dbraw/zinc/23/61/62/1098236162.db2.gz YMXFILKYIWOUHP-KRWDZBQOSA-N 2 1 313.530 3.173 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001235842237 1099207197 /nfs/dbraw/zinc/20/71/97/1099207197.db2.gz MTLIRCZEPSFLHH-NSHDSACASA-N 2 1 317.658 3.144 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001266471071 1081872207 /nfs/dbraw/zinc/87/22/07/1081872207.db2.gz HROLZKOLMVOASM-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266471071 1081872210 /nfs/dbraw/zinc/87/22/10/1081872210.db2.gz HROLZKOLMVOASM-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266471071 1081872213 /nfs/dbraw/zinc/87/22/13/1081872213.db2.gz HROLZKOLMVOASM-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3c2OCC3)C1 ZINC001648816751 1081929765 /nfs/dbraw/zinc/92/97/65/1081929765.db2.gz HFURTZKFKXCVTD-INIZCTEOSA-N 2 1 302.462 3.223 20 0 DGADMP COCc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001648817044 1081930541 /nfs/dbraw/zinc/93/05/41/1081930541.db2.gz RXAJQVUFBZBRCD-QGZVFWFLSA-N 2 1 304.478 3.435 20 0 DGADMP COc1cc(C)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC001648837246 1081938995 /nfs/dbraw/zinc/93/89/95/1081938995.db2.gz MFYPIYXVMWEPNP-UHFFFAOYSA-N 2 1 305.466 3.060 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)([NH+](C)C)C1 ZINC001648895426 1081956128 /nfs/dbraw/zinc/95/61/28/1081956128.db2.gz OTKODVSVVPQOQQ-NNIGNNQHSA-N 2 1 308.510 3.292 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211257879 1082100132 /nfs/dbraw/zinc/10/01/32/1082100132.db2.gz WHCCJHMUDQJRCN-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001170134408 1082168602 /nfs/dbraw/zinc/16/86/02/1082168602.db2.gz BXYPNUGTYFKCLE-AEFFLSMTSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001170134408 1082168605 /nfs/dbraw/zinc/16/86/05/1082168605.db2.gz BXYPNUGTYFKCLE-AEFFLSMTSA-N 2 1 318.461 3.135 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001170409263 1082368612 /nfs/dbraw/zinc/36/86/12/1082368612.db2.gz ZKPJPYFYWKPSOM-IKGGRYGDSA-N 2 1 318.461 3.199 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001170410721 1082369694 /nfs/dbraw/zinc/36/96/94/1082369694.db2.gz GNNHCYYXCMHCAY-NVXWUHKLSA-N 2 1 318.461 3.058 20 0 DGADMP CC(=O)Nc1cc[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001170452565 1082478610 /nfs/dbraw/zinc/47/86/10/1082478610.db2.gz CSZSSSFRYMKMKR-UHFFFAOYSA-N 2 1 304.438 3.103 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(Br)cc1 ZINC001207285350 1082520921 /nfs/dbraw/zinc/52/09/21/1082520921.db2.gz HHCWCYPXIRHZFM-UHFFFAOYSA-N 2 1 313.283 3.469 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC001207285350 1082520923 /nfs/dbraw/zinc/52/09/23/1082520923.db2.gz HHCWCYPXIRHZFM-UHFFFAOYSA-N 2 1 313.283 3.469 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2cccc(C)c2)C1 ZINC001167602202 1082589991 /nfs/dbraw/zinc/58/99/91/1082589991.db2.gz JYBWTPBQYIAKMT-HXUWFJFHSA-N 2 1 318.505 3.360 20 0 DGADMP CC[N@@H+](Cc1ccccc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001204611489 1082774834 /nfs/dbraw/zinc/77/48/34/1082774834.db2.gz OKQBAFMLZPUYGA-UHFFFAOYSA-N 2 1 309.457 3.118 20 0 DGADMP Cc1c(Cl)cc(Br)cc1NC(=[NH2+])SCC[NH3+] ZINC001167913326 1082855054 /nfs/dbraw/zinc/85/50/54/1082855054.db2.gz WXJZUNWBDSKGDR-UHFFFAOYSA-N 2 1 322.659 3.449 20 0 DGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524879 1082933973 /nfs/dbraw/zinc/93/39/73/1082933973.db2.gz MXXQYQJUZYYYRS-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170663502 1083065605 /nfs/dbraw/zinc/06/56/05/1083065605.db2.gz CZEHQWHDCFPXPN-LVQVYYBASA-N 2 1 306.400 3.037 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170700250 1083173058 /nfs/dbraw/zinc/17/30/58/1083173058.db2.gz LMIVJRAFJVFIGK-INIZCTEOSA-N 2 1 308.416 3.238 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170700250 1083173061 /nfs/dbraw/zinc/17/30/61/1083173061.db2.gz LMIVJRAFJVFIGK-INIZCTEOSA-N 2 1 308.416 3.238 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267631572 1083234842 /nfs/dbraw/zinc/23/48/42/1083234842.db2.gz JMPRNWVLRMOKTD-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170736581 1083254927 /nfs/dbraw/zinc/25/49/27/1083254927.db2.gz AQDMRDAAKOTNMT-XGBSXSJOSA-N 2 1 314.473 3.380 20 0 DGADMP CC1(C)[C@@H]2C[C@@H]([N@@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170737241 1083258734 /nfs/dbraw/zinc/25/87/34/1083258734.db2.gz WSOBTTIZTNHYQA-VQTJMMCRSA-N 2 1 306.494 3.172 20 0 DGADMP CC(C)(C)[N@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170753364 1083298470 /nfs/dbraw/zinc/29/84/70/1083298470.db2.gz OURHQRRCPAGJQJ-NXOAAHMSSA-N 2 1 320.521 3.433 20 0 DGADMP CCC(=O)Nc1cc(NCCC[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC001167753454 1083630358 /nfs/dbraw/zinc/63/03/58/1083630358.db2.gz ISAXWMYJUJADCB-AWEZNQCLSA-N 2 1 304.438 3.107 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC001183064997 1083870401 /nfs/dbraw/zinc/87/04/01/1083870401.db2.gz CDKCSVAZVRYYQY-YJBOKZPZSA-N 2 1 318.461 3.025 20 0 DGADMP C([NH2+]C1CCC2(CSC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001183096036 1083876161 /nfs/dbraw/zinc/87/61/61/1083876161.db2.gz YQFWCNHGHGBDNN-MRXNPFEDSA-N 2 1 308.535 3.374 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001183282002 1083907670 /nfs/dbraw/zinc/90/76/70/1083907670.db2.gz QPPOGXLYJNAWFM-HOJAQTOUSA-N 2 1 318.505 3.405 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000072980889 1084061407 /nfs/dbraw/zinc/06/14/07/1084061407.db2.gz VJFHXCUBNUZQEN-UHFFFAOYSA-N 2 1 322.456 3.466 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001167824301 1084113460 /nfs/dbraw/zinc/11/34/60/1084113460.db2.gz DIBQLEYUZJYCMC-CVEARBPZSA-N 2 1 312.498 3.303 20 0 DGADMP CCOCc1noc2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167827019 1084120660 /nfs/dbraw/zinc/12/06/60/1084120660.db2.gz RJYNXUCAEAZDDB-HNNXBMFYSA-N 2 1 323.481 3.080 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001167834156 1084149659 /nfs/dbraw/zinc/14/96/59/1084149659.db2.gz IHYGXAOZXQXNCG-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001167835227 1084156485 /nfs/dbraw/zinc/15/64/85/1084156485.db2.gz PIIIUEVOAZXEPD-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001167835721 1084158438 /nfs/dbraw/zinc/15/84/38/1084158438.db2.gz UEFYODOERMXJCU-SQNIBIBYSA-N 2 1 313.505 3.005 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001167835721 1084158442 /nfs/dbraw/zinc/15/84/42/1084158442.db2.gz UEFYODOERMXJCU-SQNIBIBYSA-N 2 1 313.505 3.005 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC001184387337 1084168550 /nfs/dbraw/zinc/16/85/50/1084168550.db2.gz JSKOOXYMFLEPOI-WJFTUGDTSA-N 2 1 302.462 3.083 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205295923 1084168729 /nfs/dbraw/zinc/16/87/29/1084168729.db2.gz CNIPUDZTQGMZHA-JSGCOSHPSA-N 2 1 300.368 3.165 20 0 DGADMP CCOC(=O)[C@]1(C)CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167840665 1084173316 /nfs/dbraw/zinc/17/33/16/1084173316.db2.gz HCZZQTDZZXFYLO-SJLPKXTDSA-N 2 1 312.498 3.162 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1C ZINC001205296665 1084177746 /nfs/dbraw/zinc/17/77/46/1084177746.db2.gz SHBQKQSVGYUVDU-SFHVURJKSA-N 2 1 305.466 3.272 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1C ZINC001205296665 1084177752 /nfs/dbraw/zinc/17/77/52/1084177752.db2.gz SHBQKQSVGYUVDU-SFHVURJKSA-N 2 1 305.466 3.272 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303172 1084226042 /nfs/dbraw/zinc/22/60/42/1084226042.db2.gz AJXFVYUHGDMKEI-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303172 1084226045 /nfs/dbraw/zinc/22/60/45/1084226045.db2.gz AJXFVYUHGDMKEI-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082996 1084579715 /nfs/dbraw/zinc/57/97/15/1084579715.db2.gz QSIMDZJYNIFJOI-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001186974728 1084734587 /nfs/dbraw/zinc/73/45/87/1084734587.db2.gz BXAUCXMRQXCZQO-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961216 1085705356 /nfs/dbraw/zinc/70/53/56/1085705356.db2.gz GFOGQSUZTHFFRO-YQQQUEKLSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(O)cc1 ZINC001167967568 1085890684 /nfs/dbraw/zinc/89/06/84/1085890684.db2.gz HJYCLNYSXHJZMR-FMJMRLDVSA-N 2 1 314.473 3.491 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)CC(C)(C)CC[NH3+] ZINC001167974260 1085915271 /nfs/dbraw/zinc/91/52/71/1085915271.db2.gz STSAXDGRLWFBJA-UXDRXVOSSA-N 3 1 321.553 3.383 20 0 DGADMP c1ccc2c(c1)CC(C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167974823 1085917464 /nfs/dbraw/zinc/91/74/64/1085917464.db2.gz AMMJPQHOPSOTJP-SEJPIABJSA-N 2 1 310.485 3.396 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167974814 1085917956 /nfs/dbraw/zinc/91/79/56/1085917956.db2.gz ACJNNCGRLWZSNV-QBUWPKIASA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)(C)C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167974814 1085917963 /nfs/dbraw/zinc/91/79/63/1085917963.db2.gz ACJNNCGRLWZSNV-QBUWPKIASA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)(C)C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167974814 1085917970 /nfs/dbraw/zinc/91/79/70/1085917970.db2.gz ACJNNCGRLWZSNV-QBUWPKIASA-N 2 1 319.537 3.102 20 0 DGADMP c1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167995598 1086064648 /nfs/dbraw/zinc/06/46/48/1086064648.db2.gz KKXNVKSIDLZXEI-WCRBZPEASA-N 2 1 310.485 3.493 20 0 DGADMP CCCN(CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002178 1086112913 /nfs/dbraw/zinc/11/29/13/1086112913.db2.gz PIDSAVVDRGZGEY-DFNIBXOVSA-N 2 1 307.526 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005366 1086147107 /nfs/dbraw/zinc/14/71/07/1086147107.db2.gz IDDPKXOXLDPBJH-QQXMDYFESA-N 2 1 316.489 3.321 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204757550 1086173473 /nfs/dbraw/zinc/17/34/73/1086173473.db2.gz ZPVOZABBESMXDB-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc(C[NH3+])nn1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011644 1086218662 /nfs/dbraw/zinc/21/86/62/1086218662.db2.gz QETRMJYOVFMKPN-CCWDJLKJSA-N 2 1 312.461 3.264 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CCO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012800 1086246984 /nfs/dbraw/zinc/24/69/84/1086246984.db2.gz FEIRBBUROLKXAV-ALXJQNPVSA-N 2 1 304.478 3.179 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572149 1086310482 /nfs/dbraw/zinc/31/04/82/1086310482.db2.gz DBYILAFNYNBEIL-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CCOC[C@H]2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018819 1086336213 /nfs/dbraw/zinc/33/62/13/1086336213.db2.gz FESRTIWVXIHBCS-OHDICMOHSA-N 2 1 320.452 3.145 20 0 DGADMP C[C@@H]1CC([NH2+][C@H]2CCOC[C@@H]2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032106 1086465095 /nfs/dbraw/zinc/46/50/95/1086465095.db2.gz FESRTIWVXIHBCS-LTDCPUDJSA-N 2 1 320.452 3.145 20 0 DGADMP COC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033145 1086470352 /nfs/dbraw/zinc/47/03/52/1086470352.db2.gz JYDANGJARAEXHW-NSUFYTFQSA-N 2 1 316.489 3.443 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC001168033402 1086471888 /nfs/dbraw/zinc/47/18/88/1086471888.db2.gz LEIVCJTVFQXSRO-WOUAJJJCSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039873 1086498928 /nfs/dbraw/zinc/49/89/28/1086498928.db2.gz ICFILFUMYVXOGF-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039873 1086498934 /nfs/dbraw/zinc/49/89/34/1086498934.db2.gz ICFILFUMYVXOGF-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039873 1086498939 /nfs/dbraw/zinc/49/89/39/1086498939.db2.gz ICFILFUMYVXOGF-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039873 1086498943 /nfs/dbraw/zinc/49/89/43/1086498943.db2.gz ICFILFUMYVXOGF-HNJRGHQBSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@H]3OCC[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168049236 1086573549 /nfs/dbraw/zinc/57/35/49/1086573549.db2.gz ZHOPQQVXSOVWFU-XNFNUYLZSA-N 2 1 314.473 3.291 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@H]3OCC[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168049236 1086573556 /nfs/dbraw/zinc/57/35/56/1086573556.db2.gz ZHOPQQVXSOVWFU-XNFNUYLZSA-N 2 1 314.473 3.291 20 0 DGADMP C[C@@H]1CC(N(C)[C@@H]2CC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065196 1086660428 /nfs/dbraw/zinc/66/04/28/1086660428.db2.gz UNWLNPBZZXNYGC-ZHALLVOQSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394828 1086908364 /nfs/dbraw/zinc/90/83/64/1086908364.db2.gz PPRVMGWLMAMONG-QZTJIDSGSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394830 1086908402 /nfs/dbraw/zinc/90/84/02/1086908402.db2.gz PPRVMGWLMAMONG-ZWKOTPCHSA-N 2 1 323.525 3.019 20 0 DGADMP CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC001168204650 1087056860 /nfs/dbraw/zinc/05/68/60/1087056860.db2.gz ZIOGFOXNPBHAKX-MLFFRYNPSA-N 2 1 316.489 3.038 20 0 DGADMP CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC001168204650 1087056864 /nfs/dbraw/zinc/05/68/64/1087056864.db2.gz ZIOGFOXNPBHAKX-MLFFRYNPSA-N 2 1 316.489 3.038 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC001168290127 1087283566 /nfs/dbraw/zinc/28/35/66/1087283566.db2.gz ZFHGVYZZSMHAAY-SFHVURJKSA-N 2 1 314.473 3.113 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001168322780 1087293363 /nfs/dbraw/zinc/29/33/63/1087293363.db2.gz HWEOAHCPMQWMAD-UHFFFAOYSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324055 1087294099 /nfs/dbraw/zinc/29/40/99/1087294099.db2.gz HZBONGUOURSWFH-QHGAOEGBSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccc([C@@]2(C)C[N@@H+](C3CCC([NH+](C)C)CC3)CCO2)cc1 ZINC001168326578 1087294403 /nfs/dbraw/zinc/29/44/03/1087294403.db2.gz BSPBKFMXKNJUTP-SOAGJPPSSA-N 2 1 316.489 3.415 20 0 DGADMP CCCOc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168358807 1087333642 /nfs/dbraw/zinc/33/36/42/1087333642.db2.gz VNYOWTBYDUPBBQ-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP OCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC001168360478 1087344325 /nfs/dbraw/zinc/34/43/25/1087344325.db2.gz QXIMVVQRLVRWBN-GOSISDBHSA-N 2 1 322.880 3.228 20 0 DGADMP CC(C)C[N@H+](C1CCN(CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168368438 1087428783 /nfs/dbraw/zinc/42/87/83/1087428783.db2.gz JYJKOQHANHVWFR-IYARVYRRSA-N 2 1 307.526 3.089 20 0 DGADMP CC(C)C[N@@H+](C1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168368438 1087428786 /nfs/dbraw/zinc/42/87/86/1087428786.db2.gz JYJKOQHANHVWFR-IYARVYRRSA-N 3 1 307.526 3.089 20 0 DGADMP CC(C)C[N@H+](C1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168368438 1087428787 /nfs/dbraw/zinc/42/87/87/1087428787.db2.gz JYJKOQHANHVWFR-IYARVYRRSA-N 3 1 307.526 3.089 20 0 DGADMP c1[nH]c2ccc(Nc3cccnc3OCC3CC[NH2+]CC3)cc2[nH+]1 ZINC001159295320 1088277413 /nfs/dbraw/zinc/27/74/13/1088277413.db2.gz SIBSQWFBVFRNJD-UHFFFAOYSA-N 2 1 323.400 3.080 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)n21 ZINC001206647664 1088278896 /nfs/dbraw/zinc/27/88/96/1088278896.db2.gz JADZINQTVYHUDH-AWEZNQCLSA-N 2 1 318.490 3.007 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)n21 ZINC001206647664 1088278910 /nfs/dbraw/zinc/27/89/10/1088278910.db2.gz JADZINQTVYHUDH-AWEZNQCLSA-N 2 1 318.490 3.007 20 0 DGADMP [NH3+]CCc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001159640197 1088433417 /nfs/dbraw/zinc/43/34/17/1088433417.db2.gz PNEHILXKCVZCGV-UHFFFAOYSA-N 2 1 307.441 3.390 20 0 DGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC1=CCCCC1)[NH+](C)C ZINC001154001857 1088435154 /nfs/dbraw/zinc/43/51/54/1088435154.db2.gz YFNMBBIWFRBGRT-SJLPKXTDSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c(Br)ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1C ZINC001235938449 1088482710 /nfs/dbraw/zinc/48/27/10/1088482710.db2.gz KKKNJEGOKOFHDY-CABCVRRESA-N 2 1 323.278 3.107 20 0 DGADMP Cc1c(Br)ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1C ZINC001235938449 1088482715 /nfs/dbraw/zinc/48/27/15/1088482715.db2.gz KKKNJEGOKOFHDY-CABCVRRESA-N 2 1 323.278 3.107 20 0 DGADMP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159916298 1088545752 /nfs/dbraw/zinc/54/57/52/1088545752.db2.gz QORDURZARMOCFR-SFHVURJKSA-N 2 1 323.525 3.070 20 0 DGADMP c1ccc2c(c1)cc[nH+]c2NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108374 1088641856 /nfs/dbraw/zinc/64/18/56/1088641856.db2.gz KSMNTDBMKPQAMH-UHFFFAOYSA-N 2 1 318.424 3.257 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@H]2CCCC[NH2+]2)nc1 ZINC001160150625 1088672410 /nfs/dbraw/zinc/67/24/10/1088672410.db2.gz KDSRSKMFWUWTMS-IAGOWNOFSA-N 2 1 302.466 3.183 20 0 DGADMP c1[nH]c2ccc(Nc3cccc(O[C@@H]4CCC[NH2+]C4)c3)cc2[nH+]1 ZINC001160217786 1088704593 /nfs/dbraw/zinc/70/45/93/1088704593.db2.gz BCYYQHPCCAOXGD-MRXNPFEDSA-N 2 1 308.385 3.437 20 0 DGADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001154984035 1088872143 /nfs/dbraw/zinc/87/21/43/1088872143.db2.gz DGCFSMXBPNRPFL-CVEARBPZSA-N 2 1 321.428 3.161 20 0 DGADMP CC(C)(C)c1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]c1 ZINC001155390921 1089088236 /nfs/dbraw/zinc/08/82/36/1089088236.db2.gz TUDZKKOYAQFLPR-MRXNPFEDSA-N 2 1 317.477 3.340 20 0 DGADMP Cc1ccc2c(c1)[C@@H](Nc1[nH+]cccc1N)CC21CC[NH2+]CC1 ZINC001155436628 1089112693 /nfs/dbraw/zinc/11/26/93/1089112693.db2.gz OLODOAGMFWJMGM-KRWDZBQOSA-N 2 1 308.429 3.150 20 0 DGADMP Cc1cccc2c1cc[nH+]c2N1CCC([NH3+])(c2cccnc2)CC1 ZINC001161584104 1089295572 /nfs/dbraw/zinc/29/55/72/1089295572.db2.gz SENJNBNHLBGZBV-UHFFFAOYSA-N 2 1 318.424 3.393 20 0 DGADMP C[C@H](C[NH+](C)C)Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001155913734 1089299398 /nfs/dbraw/zinc/29/93/98/1089299398.db2.gz CIHCVTKYELIFRM-MRXNPFEDSA-N 2 1 324.472 3.002 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(CCC[NH3+])C(C)C)nc1 ZINC001156124698 1089396431 /nfs/dbraw/zinc/39/64/31/1089396431.db2.gz RJPPCDGMGNFWON-QGZVFWFLSA-N 2 1 304.482 3.192 20 0 DGADMP CC(C)OCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001161788495 1089402878 /nfs/dbraw/zinc/40/28/78/1089402878.db2.gz AHHSRXXYDIXFAW-MRXNPFEDSA-N 2 1 316.449 3.188 20 0 DGADMP CC(C)c1ccc(NCC2(c3cccnc3)CC[NH2+]CC2)[nH+]c1 ZINC001162036249 1089537832 /nfs/dbraw/zinc/53/78/32/1089537832.db2.gz GDNYQLYPMAUBIO-UHFFFAOYSA-N 2 1 310.445 3.333 20 0 DGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC1=CCCCC1 ZINC001156517400 1089562291 /nfs/dbraw/zinc/56/22/91/1089562291.db2.gz YHPMFKJAQNLLEM-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC1=CCCCC1 ZINC001156517400 1089562299 /nfs/dbraw/zinc/56/22/99/1089562299.db2.gz YHPMFKJAQNLLEM-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1 ZINC001156517400 1089562310 /nfs/dbraw/zinc/56/23/10/1089562310.db2.gz YHPMFKJAQNLLEM-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001162459042 1089743874 /nfs/dbraw/zinc/74/38/74/1089743874.db2.gz BOGWOYFERUFBLL-JFIYKMOQSA-N 2 1 316.493 3.286 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(N2CCCC2)cc[nH+]1 ZINC001156928820 1089750688 /nfs/dbraw/zinc/75/06/88/1089750688.db2.gz ONLIQSVTEDCGPO-MRXNPFEDSA-N 2 1 302.466 3.358 20 0 DGADMP F[C@]1(CNc2[nH+]ccc3c4c([nH]c32)CCCC4)CCCC[NH2+]C1 ZINC001162581098 1089806383 /nfs/dbraw/zinc/80/63/83/1089806383.db2.gz YLQBZPXHBHXBKS-GOSISDBHSA-N 2 1 316.424 3.335 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092398 1089823522 /nfs/dbraw/zinc/82/35/22/1089823522.db2.gz WLVCGGCZUTUMKV-HPFMTEOYSA-N 2 1 323.525 3.045 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109761 1089825504 /nfs/dbraw/zinc/82/55/04/1089825504.db2.gz VAMWOGJKFBDDGV-RKQNLGICSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)([NH2+]CC[C@H]1CC[NH2+]CC1(F)F)c1ccnc(Cl)c1 ZINC001162814147 1089971398 /nfs/dbraw/zinc/97/13/98/1089971398.db2.gz JUUJPMLBLODJCF-LLVKDONJSA-N 2 1 317.811 3.195 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)nc1 ZINC001162847577 1089990775 /nfs/dbraw/zinc/99/07/75/1089990775.db2.gz UDMQSONLASRHMR-ZWKOTPCHSA-N 2 1 322.456 3.260 20 0 DGADMP CC(C)c1cccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001162964729 1090038695 /nfs/dbraw/zinc/03/86/95/1090038695.db2.gz ABKDEOOLVHCOBJ-HNNXBMFYSA-N 2 1 303.450 3.166 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1 ZINC001162984167 1090046409 /nfs/dbraw/zinc/04/64/09/1090046409.db2.gz UIGBBBRARTUCCP-VDZJLULYSA-N 2 1 314.477 3.153 20 0 DGADMP Cc1ccc2cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]cc2c1 ZINC001163273550 1090136591 /nfs/dbraw/zinc/13/65/91/1090136591.db2.gz ZMHRJHRFPMOXLU-BEFAXECRSA-N 2 1 311.429 3.114 20 0 DGADMP Cc1cc[nH+]c2cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163284862 1090139918 /nfs/dbraw/zinc/13/99/18/1090139918.db2.gz ONARMYBFCDTSLN-KXBFYZLASA-N 2 1 311.429 3.114 20 0 DGADMP Cc1ccc2c(C)cc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c2c1 ZINC001163310596 1090146810 /nfs/dbraw/zinc/14/68/10/1090146810.db2.gz MPSLGSQTGWLSRC-KXBFYZLASA-N 2 1 311.429 3.175 20 0 DGADMP Cc1cnc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1NC(C)C ZINC001163358582 1090162504 /nfs/dbraw/zinc/16/25/04/1090162504.db2.gz UYLQTPZFLVJZTL-GJZGRUSLSA-N 2 1 305.470 3.136 20 0 DGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(N3CCCC3)cc[nH+]2)[C@@H](C)C1 ZINC001163365840 1090164814 /nfs/dbraw/zinc/16/48/14/1090164814.db2.gz OAGFLEOALLYIDM-RDJZCZTQSA-N 2 1 302.466 3.213 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc(C[NH+]3CCCC3)cn2)[C@H](C)C1 ZINC001163366196 1090167432 /nfs/dbraw/zinc/16/74/32/1090167432.db2.gz SKRZDIDCNBUPBH-SJLPKXTDSA-N 2 1 316.493 3.208 20 0 DGADMP Nc1[nH]c2cc(-n3c(C[NH3+])cc4cc(Cl)ccc43)ccc2[nH+]1 ZINC001163901474 1090284033 /nfs/dbraw/zinc/28/40/33/1090284033.db2.gz DULMETROJPZGNL-UHFFFAOYSA-N 2 1 311.776 3.201 20 0 DGADMP Cc1c(N)cc[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164486256 1090431432 /nfs/dbraw/zinc/43/14/32/1090431432.db2.gz MKMWDBWBLRFNFC-JENIJYKNSA-N 2 1 322.456 3.295 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]2C[NH+](C)C)nc1 ZINC001165074310 1090460999 /nfs/dbraw/zinc/46/09/99/1090460999.db2.gz KPLKTMZBLXADAR-QZTJIDSGSA-N 2 1 316.493 3.159 20 0 DGADMP Cc1nc(C)c(C)c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001165083634 1090461775 /nfs/dbraw/zinc/46/17/75/1090461775.db2.gz YQUFSWAGTJZGOH-RTBURBONSA-N 2 1 322.456 3.113 20 0 DGADMP Cc1c[nH+]c(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc1N ZINC001165180891 1090475662 /nfs/dbraw/zinc/47/56/62/1090475662.db2.gz HHSSUPYHAPQVKY-DNVCBOLYSA-N 2 1 324.472 3.319 20 0 DGADMP CC[NH+](CC)Cc1cncc(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001165289940 1090497806 /nfs/dbraw/zinc/49/78/06/1090497806.db2.gz MLVTWJHHXXQPNU-INIZCTEOSA-N 2 1 304.482 3.067 20 0 DGADMP COC(=[NH2+])c1cccc(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC001165470047 1090523919 /nfs/dbraw/zinc/52/39/19/1090523919.db2.gz ZBBGILIDLHWGDR-UHFFFAOYSA-N 2 1 309.413 3.202 20 0 DGADMP Cc1c[nH+]c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(C)c1 ZINC001165670583 1090536835 /nfs/dbraw/zinc/53/68/35/1090536835.db2.gz SWERGJMECWMBOJ-MRXNPFEDSA-N 2 1 317.477 3.214 20 0 DGADMP COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc[nH+]c1N ZINC001212400120 1090622988 /nfs/dbraw/zinc/62/29/88/1090622988.db2.gz STSAUAZVDCSQSA-UHFFFAOYSA-N 2 1 312.417 3.054 20 0 DGADMP Cc1cncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001203173541 1090703257 /nfs/dbraw/zinc/70/32/57/1090703257.db2.gz JZDSEFOXNRWDGD-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001203736110 1090792873 /nfs/dbraw/zinc/79/28/73/1090792873.db2.gz NEIHKDHXYOAKTR-HXUWFJFHSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001203736110 1090792878 /nfs/dbraw/zinc/79/28/78/1090792878.db2.gz NEIHKDHXYOAKTR-HXUWFJFHSA-N 2 1 316.489 3.379 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004915 1090865246 /nfs/dbraw/zinc/86/52/46/1090865246.db2.gz IYQHQQGMCQZWGA-NSISKUIASA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004915 1090865249 /nfs/dbraw/zinc/86/52/49/1090865249.db2.gz IYQHQQGMCQZWGA-NSISKUIASA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004915 1090865253 /nfs/dbraw/zinc/86/52/53/1090865253.db2.gz IYQHQQGMCQZWGA-NSISKUIASA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004915 1090865256 /nfs/dbraw/zinc/86/52/56/1090865256.db2.gz IYQHQQGMCQZWGA-NSISKUIASA-N 2 1 324.472 3.142 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082282 1090896373 /nfs/dbraw/zinc/89/63/73/1090896373.db2.gz SUSQFXNTMHTWAT-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082282 1090896382 /nfs/dbraw/zinc/89/63/82/1090896382.db2.gz SUSQFXNTMHTWAT-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082282 1090896391 /nfs/dbraw/zinc/89/63/91/1090896391.db2.gz SUSQFXNTMHTWAT-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082282 1090896397 /nfs/dbraw/zinc/89/63/97/1090896397.db2.gz SUSQFXNTMHTWAT-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1nc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2s1 ZINC001204195382 1090918383 /nfs/dbraw/zinc/91/83/83/1090918383.db2.gz HVQVFLXPRWMYLI-HNNXBMFYSA-N 2 1 301.459 3.214 20 0 DGADMP c1nc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2s1 ZINC001204195382 1090918386 /nfs/dbraw/zinc/91/83/86/1090918386.db2.gz HVQVFLXPRWMYLI-HNNXBMFYSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3scnc3Cl)CC2)CC1 ZINC001137823033 1090927208 /nfs/dbraw/zinc/92/72/08/1090927208.db2.gz PHCBKPQKWVRIQG-UHFFFAOYSA-N 2 1 313.898 3.350 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC001204267091 1090937448 /nfs/dbraw/zinc/93/74/48/1090937448.db2.gz PUTREMZCWFTGDZ-UHFFFAOYSA-N 2 1 324.415 3.248 20 0 DGADMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204269289 1090937492 /nfs/dbraw/zinc/93/74/92/1090937492.db2.gz YXTNAUFTXRVJST-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CCCO)Cc2cccc(Cl)c2)CC1 ZINC001204287807 1090940161 /nfs/dbraw/zinc/94/01/61/1090940161.db2.gz PALVLAZHKIHRPA-UHFFFAOYSA-N 2 1 324.896 3.256 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001276452158 1090942512 /nfs/dbraw/zinc/94/25/12/1090942512.db2.gz WBEABRTZGZWCEH-YQQQUEKLSA-N 2 1 316.493 3.465 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001276452158 1090942516 /nfs/dbraw/zinc/94/25/16/1090942516.db2.gz WBEABRTZGZWCEH-YQQQUEKLSA-N 2 1 316.493 3.465 20 0 DGADMP Cc1nc[nH]c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204602896 1091005347 /nfs/dbraw/zinc/00/53/47/1091005347.db2.gz AWXBWFQYVGUNOG-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204602896 1091005349 /nfs/dbraw/zinc/00/53/49/1091005349.db2.gz AWXBWFQYVGUNOG-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc[nH]c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204602896 1091005355 /nfs/dbraw/zinc/00/53/55/1091005355.db2.gz AWXBWFQYVGUNOG-RBUKOAKNSA-N 2 1 324.472 3.062 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CCO1 ZINC001204754875 1091030557 /nfs/dbraw/zinc/03/05/57/1091030557.db2.gz BADFZJAJBJOFHN-LJQANCHMSA-N 2 1 314.404 3.042 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)c2)cc1 ZINC001204754898 1091030636 /nfs/dbraw/zinc/03/06/36/1091030636.db2.gz BXDXSLSLEDOZSP-FQEVSTJZSA-N 2 1 310.441 3.212 20 0 DGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc3oc4ccccc4c3c2)CCO1 ZINC001204756621 1091031936 /nfs/dbraw/zinc/03/19/36/1091031936.db2.gz QNOAZOQXMJTELC-HNNXBMFYSA-N 2 1 310.397 3.136 20 0 DGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)CCO1 ZINC001204756621 1091031944 /nfs/dbraw/zinc/03/19/44/1091031944.db2.gz QNOAZOQXMJTELC-HNNXBMFYSA-N 2 1 310.397 3.136 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001205001697 1091080547 /nfs/dbraw/zinc/08/05/47/1091080547.db2.gz WMAJACBXAVBCLO-LBPRGKRZSA-N 2 1 301.261 3.467 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001205001697 1091080556 /nfs/dbraw/zinc/08/05/56/1091080556.db2.gz WMAJACBXAVBCLO-LBPRGKRZSA-N 2 1 301.261 3.467 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854227 1091048268 /nfs/dbraw/zinc/04/82/68/1091048268.db2.gz IWQAJIPFZGUBDM-IAQYHMDHSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854227 1091048276 /nfs/dbraw/zinc/04/82/76/1091048276.db2.gz IWQAJIPFZGUBDM-IAQYHMDHSA-N 2 1 314.807 3.189 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1F ZINC001276477308 1091049787 /nfs/dbraw/zinc/04/97/87/1091049787.db2.gz ITBSYOYQZGLXAX-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1F ZINC001276477308 1091049794 /nfs/dbraw/zinc/04/97/94/1091049794.db2.gz ITBSYOYQZGLXAX-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204869527 1091051468 /nfs/dbraw/zinc/05/14/68/1091051468.db2.gz BIJYUSJMXLNROW-FUHWJXTLSA-N 2 1 304.478 3.480 20 0 DGADMP Cc1cc(Br)cc(C[NH+]2CCC(C[NH3+])CC2)c1F ZINC001205053113 1091091332 /nfs/dbraw/zinc/09/13/32/1091091332.db2.gz LSGGGZFSRZTPQI-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001205101909 1091102898 /nfs/dbraw/zinc/10/28/98/1091102898.db2.gz NPGQVXJVBNPTDL-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001205101909 1091102902 /nfs/dbraw/zinc/10/29/02/1091102902.db2.gz NPGQVXJVBNPTDL-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)n2)cc1 ZINC001205109924 1091104878 /nfs/dbraw/zinc/10/48/78/1091104878.db2.gz NEHMISJWWDNWEI-MRXNPFEDSA-N 2 1 311.429 3.070 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Br)CC1 ZINC001205116496 1091106653 /nfs/dbraw/zinc/10/66/53/1091106653.db2.gz ALOLLUKYDLPSCT-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Br)CC1 ZINC001205116496 1091106656 /nfs/dbraw/zinc/10/66/56/1091106656.db2.gz ALOLLUKYDLPSCT-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ncc2Cl)C[C@H]1C[NH3+] ZINC001205156521 1091114747 /nfs/dbraw/zinc/11/47/47/1091114747.db2.gz ZSENLQRZJRDAMX-XJKSGUPXSA-N 2 1 315.848 3.429 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ncc2Cl)C[C@H]1C[NH3+] ZINC001205156521 1091114750 /nfs/dbraw/zinc/11/47/50/1091114750.db2.gz ZSENLQRZJRDAMX-XJKSGUPXSA-N 2 1 315.848 3.429 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001205210820 1091131533 /nfs/dbraw/zinc/13/15/33/1091131533.db2.gz RNXQKIZQLMZTMK-FQEVSTJZSA-N 2 1 310.441 3.029 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC001205240584 1091144190 /nfs/dbraw/zinc/14/41/90/1091144190.db2.gz LUDNGOKDRXXTBG-FQEVSTJZSA-N 2 1 310.441 3.029 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)cc2)c1 ZINC001205242649 1091145898 /nfs/dbraw/zinc/14/58/98/1091145898.db2.gz ZAVNKBMXSUGSHZ-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205255569 1091151429 /nfs/dbraw/zinc/15/14/29/1091151429.db2.gz KGIXBRRYDBRUPQ-FQEVSTJZSA-N 3 1 315.505 3.102 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1C(F)(F)F ZINC001205281659 1091163929 /nfs/dbraw/zinc/16/39/29/1091163929.db2.gz XFZYALJVSMVKDU-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205297083 1091171692 /nfs/dbraw/zinc/17/16/92/1091171692.db2.gz YPVCHWCCNHENMJ-TZMCWYRMSA-N 2 1 300.368 3.165 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC001205303180 1091173436 /nfs/dbraw/zinc/17/34/36/1091173436.db2.gz ASJUPODHVAYWHG-PBHICJAKSA-N 2 1 313.420 3.304 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1[nH]c2ccc(F)cc2c1C ZINC001138415019 1091174880 /nfs/dbraw/zinc/17/48/80/1091174880.db2.gz VHMDZFLYVXYQRL-UHFFFAOYSA-N 2 1 300.381 3.334 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C[C@@H]1C[NH3+] ZINC001205304320 1091175256 /nfs/dbraw/zinc/17/52/56/1091175256.db2.gz NTDOKTNVUGGANW-KBPBESRZSA-N 2 1 301.459 3.227 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3[nH]c4ccc(F)cc4c3C)C[C@H]2C1 ZINC001138414918 1091175423 /nfs/dbraw/zinc/17/54/23/1091175423.db2.gz SKUFWLFKMSFEMS-GASCZTMLSA-N 2 1 315.436 3.389 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305095 1091176416 /nfs/dbraw/zinc/17/64/16/1091176416.db2.gz RAPKAIGSVMDDIP-AAEUAGOBSA-N 2 1 316.367 3.131 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305095 1091176422 /nfs/dbraw/zinc/17/64/22/1091176422.db2.gz RAPKAIGSVMDDIP-AAEUAGOBSA-N 2 1 316.367 3.131 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305142 1091176792 /nfs/dbraw/zinc/17/67/92/1091176792.db2.gz RFHBRMLOXLKUCE-OCCSQVGLSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305142 1091176798 /nfs/dbraw/zinc/17/67/98/1091176798.db2.gz RFHBRMLOXLKUCE-OCCSQVGLSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205306712 1091177568 /nfs/dbraw/zinc/17/75/68/1091177568.db2.gz ZNANPNRKRNRRBP-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205306712 1091177573 /nfs/dbraw/zinc/17/75/73/1091177573.db2.gz ZNANPNRKRNRRBP-BXUZGUMPSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC001205314922 1091180208 /nfs/dbraw/zinc/18/02/08/1091180208.db2.gz DOVCIJKILHKGHN-WMLDXEAASA-N 2 1 313.420 3.304 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205316779 1091181963 /nfs/dbraw/zinc/18/19/63/1091181963.db2.gz LHRVJHIJYZWJOA-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205316779 1091181969 /nfs/dbraw/zinc/18/19/69/1091181969.db2.gz LHRVJHIJYZWJOA-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001205326241 1091187167 /nfs/dbraw/zinc/18/71/67/1091187167.db2.gz WQDOHDFMXNZSMK-MRXNPFEDSA-N 2 1 320.440 3.209 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001205326241 1091187168 /nfs/dbraw/zinc/18/71/68/1091187168.db2.gz WQDOHDFMXNZSMK-MRXNPFEDSA-N 2 1 320.440 3.209 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(F)(F)F)nc3)C2)CC1 ZINC001205440597 1091221030 /nfs/dbraw/zinc/22/10/30/1091221030.db2.gz DVLTWVLBIVKNAZ-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)cc1 ZINC001138544663 1091221194 /nfs/dbraw/zinc/22/11/94/1091221194.db2.gz MHQXBOCZVHYWON-IBGZPJMESA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)cc1 ZINC001138544663 1091221206 /nfs/dbraw/zinc/22/12/06/1091221206.db2.gz MHQXBOCZVHYWON-IBGZPJMESA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)cc1 ZINC001138544673 1091222034 /nfs/dbraw/zinc/22/20/34/1091222034.db2.gz MLGSNRCXGPXZEV-IBGZPJMESA-N 2 1 313.445 3.165 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@](C)(CO)CC2)cc1 ZINC001138544673 1091222042 /nfs/dbraw/zinc/22/20/42/1091222042.db2.gz MLGSNRCXGPXZEV-IBGZPJMESA-N 2 1 313.445 3.165 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001205545376 1091247417 /nfs/dbraw/zinc/24/74/17/1091247417.db2.gz FVSSEYRNABLOJD-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205545389 1091248705 /nfs/dbraw/zinc/24/87/05/1091248705.db2.gz GDLHBXRFHCXJSI-HNNXBMFYSA-N 2 1 318.358 3.401 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001205558052 1091251138 /nfs/dbraw/zinc/25/11/38/1091251138.db2.gz BDKRWRSMBQMOKO-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001205559473 1091253423 /nfs/dbraw/zinc/25/34/23/1091253423.db2.gz RLSLZPRZJFJFOF-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001205559032 1091254262 /nfs/dbraw/zinc/25/42/62/1091254262.db2.gz NDKCAXCKMOBWFI-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP CCOc1cc(F)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1 ZINC001205570019 1091257688 /nfs/dbraw/zinc/25/76/88/1091257688.db2.gz CPACSVRWDQKKQM-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1 ZINC001205570019 1091257693 /nfs/dbraw/zinc/25/76/93/1091257693.db2.gz CPACSVRWDQKKQM-MRXNPFEDSA-N 2 1 316.367 3.016 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1C ZINC001205592295 1091269881 /nfs/dbraw/zinc/26/98/81/1091269881.db2.gz RXFHVVZOCHCIOB-SFHVURJKSA-N 2 1 323.456 3.222 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)s2)CC[C@H]1C[NH3+] ZINC001205616205 1091280745 /nfs/dbraw/zinc/28/07/45/1091280745.db2.gz DKLZCTBSUQCMLY-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2c(F)cc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205617683 1091282787 /nfs/dbraw/zinc/28/27/87/1091282787.db2.gz MIUDELPLXZDTHC-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205617683 1091282794 /nfs/dbraw/zinc/28/27/94/1091282794.db2.gz MIUDELPLXZDTHC-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205618260 1091283319 /nfs/dbraw/zinc/28/33/19/1091283319.db2.gz TXKWPWWAKJQEGW-QWHCGFSZSA-N 2 1 312.889 3.213 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1CC ZINC001205618694 1091283894 /nfs/dbraw/zinc/28/38/94/1091283894.db2.gz YGPMWITXMCXPQX-YJBOKZPZSA-N 2 1 304.478 3.455 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)cc2c1 ZINC001205618096 1091284089 /nfs/dbraw/zinc/28/40/89/1091284089.db2.gz RISLRSKVRKPPQU-UONOGXRCSA-N 2 1 302.418 3.248 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1C[NH3+] ZINC001205618550 1091284663 /nfs/dbraw/zinc/28/46/63/1091284663.db2.gz XCXPEMOQYMVSGY-DLBZAZTESA-N 2 1 301.478 3.094 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205625245 1091286836 /nfs/dbraw/zinc/28/68/36/1091286836.db2.gz AIVHTKLXUGIDFY-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c2c1 ZINC001205627210 1091286964 /nfs/dbraw/zinc/28/69/64/1091286964.db2.gz NWMSJCWLEHPIIO-GJZGRUSLSA-N 2 1 315.461 3.373 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2csc(Br)c2)CC[C@H]1C[NH3+] ZINC001205637413 1091290139 /nfs/dbraw/zinc/29/01/39/1091290139.db2.gz GWLVRMNRCQDKTE-PWSUYJOCSA-N 2 1 317.296 3.317 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC001205635436 1091290408 /nfs/dbraw/zinc/29/04/08/1091290408.db2.gz AMESEDODHIJXPA-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205639045 1091291839 /nfs/dbraw/zinc/29/18/39/1091291839.db2.gz VFAHFMGPAZXQAY-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)cc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205638786 1091291989 /nfs/dbraw/zinc/29/19/89/1091291989.db2.gz RXNPWKVCDWVLOL-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205639047 1091292406 /nfs/dbraw/zinc/29/24/06/1091292406.db2.gz VFAHFMGPAZXQAY-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP COc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c2ccccc21 ZINC001205639024 1091292736 /nfs/dbraw/zinc/29/27/36/1091292736.db2.gz UZUMKDVEGBMEAR-CABCVRRESA-N 2 1 313.445 3.050 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)ccnc12 ZINC001205653715 1091298209 /nfs/dbraw/zinc/29/82/09/1091298209.db2.gz UQQHZYUDECMTHP-HUUCEWRRSA-N 2 1 313.445 3.050 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652224 1091298600 /nfs/dbraw/zinc/29/86/00/1091298600.db2.gz ONDCSCCOZVCBHO-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c2)cc1 ZINC001205726906 1091323289 /nfs/dbraw/zinc/32/32/89/1091323289.db2.gz ZSPTYQPRLSYOOH-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP Cc1c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cccc1-c1ccccc1 ZINC001205726859 1091323586 /nfs/dbraw/zinc/32/35/86/1091323586.db2.gz YPBNPMQSRAHXOJ-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CCC1(F)F ZINC001205734318 1091326054 /nfs/dbraw/zinc/32/60/54/1091326054.db2.gz DKHAMDUIDRLTEU-NFAWXSAZSA-N 2 1 314.807 3.359 20 0 DGADMP CCn1ccc2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc21 ZINC001205770368 1091338516 /nfs/dbraw/zinc/33/85/16/1091338516.db2.gz MPFYYOFNYHQQOD-HNNXBMFYSA-N 2 1 307.388 3.077 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc21 ZINC001205770368 1091338524 /nfs/dbraw/zinc/33/85/24/1091338524.db2.gz MPFYYOFNYHQQOD-HNNXBMFYSA-N 2 1 307.388 3.077 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2ccnn21 ZINC001138808443 1091339114 /nfs/dbraw/zinc/33/91/14/1091339114.db2.gz VTNIIINWFFWLBS-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2ccnn21 ZINC001138808443 1091339124 /nfs/dbraw/zinc/33/91/24/1091339124.db2.gz VTNIIINWFFWLBS-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2ccnn21 ZINC001138808443 1091339135 /nfs/dbraw/zinc/33/91/35/1091339135.db2.gz VTNIIINWFFWLBS-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2ccnn21 ZINC001138808443 1091339145 /nfs/dbraw/zinc/33/91/45/1091339145.db2.gz VTNIIINWFFWLBS-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c3ccccc23)CCC1(F)F ZINC001205771250 1091341562 /nfs/dbraw/zinc/34/15/62/1091341562.db2.gz SVGMKXSNQWKGDK-ZDUSSCGKSA-N 2 1 308.347 3.395 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c3ccccc23)CCC1(F)F ZINC001205771250 1091341572 /nfs/dbraw/zinc/34/15/72/1091341572.db2.gz SVGMKXSNQWKGDK-ZDUSSCGKSA-N 2 1 308.347 3.395 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2)CCC1(F)F ZINC001205771760 1091341731 /nfs/dbraw/zinc/34/17/31/1091341731.db2.gz VPVZVMQRCQCHQB-KRWDZBQOSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2)CCC1(F)F ZINC001205771760 1091341741 /nfs/dbraw/zinc/34/17/41/1091341741.db2.gz VPVZVMQRCQCHQB-KRWDZBQOSA-N 2 1 317.383 3.165 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205781368 1091345403 /nfs/dbraw/zinc/34/54/03/1091345403.db2.gz WIZQKRTVLNVPER-AWEZNQCLSA-N 2 1 321.371 3.066 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205781368 1091345413 /nfs/dbraw/zinc/34/54/13/1091345413.db2.gz WIZQKRTVLNVPER-AWEZNQCLSA-N 2 1 321.371 3.066 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001205912820 1091407345 /nfs/dbraw/zinc/40/73/45/1091407345.db2.gz CVGGYEGYEZANAP-NWDGAFQWSA-N 2 1 319.836 3.153 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205913163 1091407464 /nfs/dbraw/zinc/40/74/64/1091407464.db2.gz HGQIWAPTWMKPQS-HIFRSBDPSA-N 2 1 301.409 3.380 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1C(F)(F)F ZINC001205915210 1091409196 /nfs/dbraw/zinc/40/91/96/1091409196.db2.gz OTVSASBYSAUWRI-YPMHNXCESA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205914758 1091409600 /nfs/dbraw/zinc/40/96/00/1091409600.db2.gz NFLSTHWSLOQCOY-IUODEOHRSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915842 1091410133 /nfs/dbraw/zinc/41/01/33/1091410133.db2.gz QVQQENHJNIQPCI-ZFWWWQNUSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915842 1091410145 /nfs/dbraw/zinc/41/01/45/1091410145.db2.gz QVQQENHJNIQPCI-ZFWWWQNUSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916236 1091411875 /nfs/dbraw/zinc/41/18/75/1091411875.db2.gz TYDJMXGFBAOTIP-KGLIPLIRSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2cccs2)n1 ZINC001205916236 1091411878 /nfs/dbraw/zinc/41/18/78/1091411878.db2.gz TYDJMXGFBAOTIP-KGLIPLIRSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001205917189 1091411955 /nfs/dbraw/zinc/41/19/55/1091411955.db2.gz XHNZSDUUKKITAB-PBHICJAKSA-N 2 1 313.420 3.447 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205991364 1091438123 /nfs/dbraw/zinc/43/81/23/1091438123.db2.gz AFOXIJQGHXSZJZ-RDJZCZTQSA-N 2 1 312.461 3.192 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205992933 1091439195 /nfs/dbraw/zinc/43/91/95/1091439195.db2.gz GHFVOGWXOJOXPN-JSGCOSHPSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)cs2)CCC[C@H]1C[NH3+] ZINC001205993113 1091439258 /nfs/dbraw/zinc/43/92/58/1091439258.db2.gz GXRMILGRNXIWCS-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205994117 1091439278 /nfs/dbraw/zinc/43/92/78/1091439278.db2.gz JLKHEXATEYRCJY-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)n2)CCC[C@@H]1C[NH3+] ZINC001205997042 1091441696 /nfs/dbraw/zinc/44/16/96/1091441696.db2.gz YWMMGDXZESNFPW-LSDHHAIUSA-N 2 1 305.466 3.066 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001206003172 1091444194 /nfs/dbraw/zinc/44/41/94/1091444194.db2.gz FRHZIFHPYMOUTR-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1C[N@@H+](Cc2sccc2Br)CCC[C@H]1C[NH3+] ZINC001206005837 1091446252 /nfs/dbraw/zinc/44/62/52/1091446252.db2.gz YZYNHEKEDOZGBL-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206013521 1091449764 /nfs/dbraw/zinc/44/97/64/1091449764.db2.gz RUFLMROUVDAEPS-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012081 1091449798 /nfs/dbraw/zinc/44/97/98/1091449798.db2.gz ITARYGKPKRJSEI-AAEUAGOBSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206027707 1091456690 /nfs/dbraw/zinc/45/66/90/1091456690.db2.gz WRBIOOIOTSBALJ-JQWIXIFHSA-N 2 1 317.296 3.317 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206012255 1091450271 /nfs/dbraw/zinc/45/02/71/1091450271.db2.gz JHXLHDYHHCNVKL-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(Cl)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011388 1091450364 /nfs/dbraw/zinc/45/03/64/1091450364.db2.gz CBQLTBGHRIOMOK-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206025181 1091455545 /nfs/dbraw/zinc/45/55/45/1091455545.db2.gz MQQYUDMYAMKEMB-CABCVRRESA-N 2 1 308.441 3.421 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC(C)C)c1 ZINC001206024134 1091456004 /nfs/dbraw/zinc/45/60/04/1091456004.db2.gz HYBMKUVPCNHQMA-JKSUJKDBSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CCC[C@@H]1C[NH3+] ZINC001206028778 1091457592 /nfs/dbraw/zinc/45/75/92/1091457592.db2.gz ZCFPSYALOOGXHP-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206027709 1091457793 /nfs/dbraw/zinc/45/77/93/1091457793.db2.gz WRBIOOIOTSBALJ-PWSUYJOCSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1nc2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)ccc2s1 ZINC001206028905 1091459247 /nfs/dbraw/zinc/45/92/47/1091459247.db2.gz ZPMNSVCLDFKICJ-IUODEOHRSA-N 2 1 303.475 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccsc2Br)CCC[C@@H]1C[NH3+] ZINC001206028909 1091459502 /nfs/dbraw/zinc/45/95/02/1091459502.db2.gz ZRODGZCTBPZKST-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206036291 1091462802 /nfs/dbraw/zinc/46/28/02/1091462802.db2.gz HRNRDJUTDQXWQN-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP COc1ccc2ccccc2c1CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206157149 1091512970 /nfs/dbraw/zinc/51/29/70/1091512970.db2.gz WQSVKERIDHTUOK-DLBZAZTESA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206157149 1091512975 /nfs/dbraw/zinc/51/29/75/1091512975.db2.gz WQSVKERIDHTUOK-DLBZAZTESA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206157149 1091512980 /nfs/dbraw/zinc/51/29/80/1091512980.db2.gz WQSVKERIDHTUOK-DLBZAZTESA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1F ZINC001206164008 1091515427 /nfs/dbraw/zinc/51/54/27/1091515427.db2.gz IOJBMFILXNXVKS-CABCVRRESA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1F ZINC001206164008 1091515439 /nfs/dbraw/zinc/51/54/39/1091515439.db2.gz IOJBMFILXNXVKS-CABCVRRESA-N 2 1 305.422 3.071 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1sccc1Br)CC2 ZINC001139314833 1091516973 /nfs/dbraw/zinc/51/69/73/1091516973.db2.gz UAOMSKNIZCQMQV-UHFFFAOYSA-N 2 1 315.280 3.038 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185650 1091527138 /nfs/dbraw/zinc/52/71/38/1091527138.db2.gz OOJUARBGPCWXJB-UONOGXRCSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185650 1091527142 /nfs/dbraw/zinc/52/71/42/1091527142.db2.gz OOJUARBGPCWXJB-UONOGXRCSA-N 2 1 304.331 3.275 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2)cc1 ZINC001206198259 1091533320 /nfs/dbraw/zinc/53/33/20/1091533320.db2.gz LYGDYSFMQLXAAD-OALUTQOASA-N 2 1 313.420 3.318 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2)cc1 ZINC001206198259 1091533327 /nfs/dbraw/zinc/53/33/27/1091533327.db2.gz LYGDYSFMQLXAAD-OALUTQOASA-N 2 1 313.420 3.318 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206276495 1091560701 /nfs/dbraw/zinc/56/07/01/1091560701.db2.gz FEUAAIBBPWRBPU-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206276495 1091560709 /nfs/dbraw/zinc/56/07/09/1091560709.db2.gz FEUAAIBBPWRBPU-MRXNPFEDSA-N 2 1 310.441 3.404 20 0 DGADMP CCOc1ncc(Cl)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318483 1091577964 /nfs/dbraw/zinc/57/79/64/1091577964.db2.gz QBROKKAPYIYASG-INIZCTEOSA-N 2 1 311.857 3.085 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cncc(Cl)c2Cl)CC1 ZINC001206327435 1091581129 /nfs/dbraw/zinc/58/11/29/1091581129.db2.gz WKXYZZCGPCISDD-AWEZNQCLSA-N 2 1 302.249 3.339 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206344155 1091586970 /nfs/dbraw/zinc/58/69/70/1091586970.db2.gz NOGREFKNAICSPG-GOSISDBHSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206344155 1091586977 /nfs/dbraw/zinc/58/69/77/1091586977.db2.gz NOGREFKNAICSPG-GOSISDBHSA-N 2 1 302.393 3.198 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001206343955 1091588017 /nfs/dbraw/zinc/58/80/17/1091588017.db2.gz XGEBTAACQKZQTM-DOTOQJQBSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206542294 1091662227 /nfs/dbraw/zinc/66/22/27/1091662227.db2.gz XHFBZRAMUQAERQ-HXUWFJFHSA-N 2 1 315.505 3.354 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c2c1 ZINC001206547051 1091664185 /nfs/dbraw/zinc/66/41/85/1091664185.db2.gz AYYUUHXSAQEFFH-SFHVURJKSA-N 2 1 301.434 3.127 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001206547726 1091665252 /nfs/dbraw/zinc/66/52/52/1091665252.db2.gz FPRGGDPYDGHWKT-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001206549795 1091665308 /nfs/dbraw/zinc/66/53/08/1091665308.db2.gz PVZNQIMRANNSHA-INIZCTEOSA-N 2 1 306.841 3.119 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555347 1091667581 /nfs/dbraw/zinc/66/75/81/1091667581.db2.gz JIZAFHLSYDQQBR-LJQANCHMSA-N 2 1 312.461 3.132 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001206563722 1091671510 /nfs/dbraw/zinc/67/15/10/1091671510.db2.gz HZOHJKYOYXUQON-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP CCc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(CC)c1O ZINC001206565598 1091671907 /nfs/dbraw/zinc/67/19/07/1091671907.db2.gz UTEJCUIZPSIGQA-IBGZPJMESA-N 2 1 304.478 3.468 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cnc1OC(C)C ZINC001206573455 1091673528 /nfs/dbraw/zinc/67/35/28/1091673528.db2.gz LACAWSJVLBETMZ-SFHVURJKSA-N 2 1 305.466 3.128 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cnc1OC(C)C ZINC001206573455 1091673532 /nfs/dbraw/zinc/67/35/32/1091673532.db2.gz LACAWSJVLBETMZ-SFHVURJKSA-N 2 1 305.466 3.128 20 0 DGADMP CC(C)[N@H+](Cc1ccc(F)c(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206590554 1091681542 /nfs/dbraw/zinc/68/15/42/1091681542.db2.gz NFLOSEODXQRXDU-CYBMUJFWSA-N 2 1 300.368 3.456 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(F)c(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206590554 1091681545 /nfs/dbraw/zinc/68/15/45/1091681545.db2.gz NFLOSEODXQRXDU-CYBMUJFWSA-N 2 1 300.368 3.456 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]CC1 ZINC001206589643 1091681654 /nfs/dbraw/zinc/68/16/54/1091681654.db2.gz IQMYSVFZAQEBNB-SFHVURJKSA-N 2 1 302.462 3.364 20 0 DGADMP CCOc1ccc(OC)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599540 1091683936 /nfs/dbraw/zinc/68/39/36/1091683936.db2.gz UONAAWFOWWTATI-KRWDZBQOSA-N 2 1 320.477 3.446 20 0 DGADMP CCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(C)n1 ZINC001206597699 1091684604 /nfs/dbraw/zinc/68/46/04/1091684604.db2.gz FGABZIHXFKLGAY-KRWDZBQOSA-N 2 1 305.466 3.141 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001206622567 1091692923 /nfs/dbraw/zinc/69/29/23/1091692923.db2.gz FVYRRISNYCKIBE-MRXNPFEDSA-N 2 1 313.420 3.449 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001206761077 1091728335 /nfs/dbraw/zinc/72/83/35/1091728335.db2.gz SSJAPYFSLLDAFI-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770964 1091732977 /nfs/dbraw/zinc/73/29/77/1091732977.db2.gz VHMVEFBBZGKHQS-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001206770964 1091732980 /nfs/dbraw/zinc/73/29/80/1091732980.db2.gz VHMVEFBBZGKHQS-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771425 1091733444 /nfs/dbraw/zinc/73/34/44/1091733444.db2.gz WQYPTMFXIALCGQ-CMPLNLGQSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771425 1091733450 /nfs/dbraw/zinc/73/34/50/1091733450.db2.gz WQYPTMFXIALCGQ-CMPLNLGQSA-N 2 1 304.331 3.404 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770661 1091733638 /nfs/dbraw/zinc/73/36/38/1091733638.db2.gz SZYPBXPMGVAVJM-CHWSQXEVSA-N 2 1 316.367 3.453 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206772222 1091733737 /nfs/dbraw/zinc/73/37/37/1091733737.db2.gz ZJUUZQBWXISYAN-KBPBESRZSA-N 2 1 301.434 3.126 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC001140024690 1091742627 /nfs/dbraw/zinc/74/26/27/1091742627.db2.gz GUPBACUXRGPNPZ-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001206800847 1091745833 /nfs/dbraw/zinc/74/58/33/1091745833.db2.gz ORLYXEXLDRBIAI-SXLOBPIMSA-N 2 1 318.505 3.296 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001206800846 1091746175 /nfs/dbraw/zinc/74/61/75/1091746175.db2.gz ORLYXEXLDRBIAI-RLLQIKCJSA-N 2 1 318.505 3.296 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001206800845 1091746812 /nfs/dbraw/zinc/74/68/12/1091746812.db2.gz ORLYXEXLDRBIAI-MISYRCLQSA-N 2 1 318.505 3.296 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206811646 1091750550 /nfs/dbraw/zinc/75/05/50/1091750550.db2.gz WKQIGMACIWBBLC-NVXWUHKLSA-N 2 1 320.477 3.317 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276496382 1091758755 /nfs/dbraw/zinc/75/87/55/1091758755.db2.gz AMMUFOWMKHZFLI-RTBURBONSA-N 2 1 321.553 3.162 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276496381 1091758768 /nfs/dbraw/zinc/75/87/68/1091758768.db2.gz AMMUFOWMKHZFLI-RBUKOAKNSA-N 2 1 321.553 3.162 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140171029 1091790603 /nfs/dbraw/zinc/79/06/03/1091790603.db2.gz FAEWAUMXLCCHGC-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140171029 1091790611 /nfs/dbraw/zinc/79/06/11/1091790611.db2.gz FAEWAUMXLCCHGC-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140171029 1091790618 /nfs/dbraw/zinc/79/06/18/1091790618.db2.gz FAEWAUMXLCCHGC-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2n[nH]cc2c1 ZINC001140388027 1091847471 /nfs/dbraw/zinc/84/74/71/1091847471.db2.gz FXKKUTKTUUFCRW-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2n[nH]cc2c1 ZINC001140388027 1091847478 /nfs/dbraw/zinc/84/74/78/1091847478.db2.gz FXKKUTKTUUFCRW-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2n[nH]cc2c1 ZINC001140388027 1091847484 /nfs/dbraw/zinc/84/74/84/1091847484.db2.gz FXKKUTKTUUFCRW-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001276512187 1091866986 /nfs/dbraw/zinc/86/69/86/1091866986.db2.gz PFTSIDMICRXLIK-FQEVSTJZSA-N 2 1 321.553 3.306 20 0 DGADMP Cc1ccc(Cl)nc1C[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001140447981 1091869702 /nfs/dbraw/zinc/86/97/02/1091869702.db2.gz CNBRFPBWNHKUJP-AWEZNQCLSA-N 2 1 317.820 3.400 20 0 DGADMP Cc1ccc(Cl)nc1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001140447981 1091869711 /nfs/dbraw/zinc/86/97/11/1091869711.db2.gz CNBRFPBWNHKUJP-AWEZNQCLSA-N 2 1 317.820 3.400 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001140482117 1091881541 /nfs/dbraw/zinc/88/15/41/1091881541.db2.gz QCUHZSQWGSBYDM-INIZCTEOSA-N 2 1 316.376 3.191 20 0 DGADMP COc1cc(F)cc(CN2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001140482117 1091881551 /nfs/dbraw/zinc/88/15/51/1091881551.db2.gz QCUHZSQWGSBYDM-INIZCTEOSA-N 2 1 316.376 3.191 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207199827 1091887843 /nfs/dbraw/zinc/88/78/43/1091887843.db2.gz WKPUMOBTHBFSDO-CUSZFKRNSA-N 2 1 304.865 3.327 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207199827 1091887849 /nfs/dbraw/zinc/88/78/49/1091887849.db2.gz WKPUMOBTHBFSDO-CUSZFKRNSA-N 2 1 304.865 3.327 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207199827 1091887853 /nfs/dbraw/zinc/88/78/53/1091887853.db2.gz WKPUMOBTHBFSDO-CUSZFKRNSA-N 2 1 304.865 3.327 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1O ZINC001140579171 1091918007 /nfs/dbraw/zinc/91/80/07/1091918007.db2.gz NPMOXTZGEBZHJR-WOJBJXKFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398497 1091953593 /nfs/dbraw/zinc/95/35/93/1091953593.db2.gz UTOWDSHEJCFOJE-GOSISDBHSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC001207392192 1091953759 /nfs/dbraw/zinc/95/37/59/1091953759.db2.gz VVTBWGAWZSUOPG-UHFFFAOYSA-N 2 1 309.457 3.426 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706579 1091967561 /nfs/dbraw/zinc/96/75/61/1091967561.db2.gz UKDMRYHQAJWGJN-YSIASYRMSA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706579 1091967566 /nfs/dbraw/zinc/96/75/66/1091967566.db2.gz UKDMRYHQAJWGJN-YSIASYRMSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706579 1091967573 /nfs/dbraw/zinc/96/75/73/1091967573.db2.gz UKDMRYHQAJWGJN-YSIASYRMSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc[nH]c3)C[C@@H]21 ZINC001140706579 1091967576 /nfs/dbraw/zinc/96/75/76/1091967576.db2.gz UKDMRYHQAJWGJN-YSIASYRMSA-N 2 1 324.472 3.142 20 0 DGADMP c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207435068 1091968511 /nfs/dbraw/zinc/96/85/11/1091968511.db2.gz FQUFSEVRTZWIRU-UXHICEINSA-N 2 1 314.473 3.025 20 0 DGADMP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207435070 1091969496 /nfs/dbraw/zinc/96/94/96/1091969496.db2.gz FQUFSEVRTZWIRU-WOJBJXKFSA-N 2 1 314.473 3.025 20 0 DGADMP C[C@@H]1Cc2cc(Br)ccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC001207442926 1091970987 /nfs/dbraw/zinc/97/09/87/1091970987.db2.gz IQEDCTNVYMRGAO-GFCCVEGCSA-N 2 1 323.278 3.195 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001207486314 1091985041 /nfs/dbraw/zinc/98/50/41/1091985041.db2.gz GFKKXJGMPQTPIY-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC001140780710 1091997315 /nfs/dbraw/zinc/99/73/15/1091997315.db2.gz HXOFDUUGIJCTKZ-KRWDZBQOSA-N 2 1 300.377 3.491 20 0 DGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC001140780710 1091997323 /nfs/dbraw/zinc/99/73/23/1091997323.db2.gz HXOFDUUGIJCTKZ-KRWDZBQOSA-N 2 1 300.377 3.491 20 0 DGADMP c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140934943 1092069218 /nfs/dbraw/zinc/06/92/18/1092069218.db2.gz GPDVBSHBDWWVKZ-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140934943 1092069227 /nfs/dbraw/zinc/06/92/27/1092069227.db2.gz GPDVBSHBDWWVKZ-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140934943 1092069234 /nfs/dbraw/zinc/06/92/34/1092069234.db2.gz GPDVBSHBDWWVKZ-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974142 1092088168 /nfs/dbraw/zinc/08/81/68/1092088168.db2.gz VMOVZMMYBLTVDA-DLBZAZTESA-N 2 1 301.478 3.059 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C[C@H]1C ZINC001140970192 1092089521 /nfs/dbraw/zinc/08/95/21/1092089521.db2.gz GAOLGHSGZSLHBV-QZTJIDSGSA-N 2 1 315.505 3.306 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCCC3(CCC3)C2)CC1 ZINC001140975565 1092090921 /nfs/dbraw/zinc/09/09/21/1092090921.db2.gz UQCGQFSJDNAVSX-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCCCC4)o3)C[C@H]2CC1 ZINC001276544797 1092097675 /nfs/dbraw/zinc/09/76/75/1092097675.db2.gz NHMANGKOSLDIPE-CALCHBBNSA-N 2 1 317.477 3.044 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)o3)C[C@H]2CC1 ZINC001276544797 1092097684 /nfs/dbraw/zinc/09/76/84/1092097684.db2.gz NHMANGKOSLDIPE-CALCHBBNSA-N 2 1 317.477 3.044 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)o3)C[C@H]2CC1 ZINC001276544797 1092097695 /nfs/dbraw/zinc/09/76/95/1092097695.db2.gz NHMANGKOSLDIPE-CALCHBBNSA-N 2 1 317.477 3.044 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]21 ZINC001207794295 1092102431 /nfs/dbraw/zinc/10/24/31/1092102431.db2.gz DHYDIDVOTONTDU-FHWLQOOXSA-N 2 1 314.473 3.133 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3(C)COC3)C[C@@H]21 ZINC001207794295 1092102443 /nfs/dbraw/zinc/10/24/43/1092102443.db2.gz DHYDIDVOTONTDU-FHWLQOOXSA-N 2 1 314.473 3.133 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3(C)COC3)C[C@@H]21 ZINC001207794295 1092102450 /nfs/dbraw/zinc/10/24/50/1092102450.db2.gz DHYDIDVOTONTDU-FHWLQOOXSA-N 2 1 314.473 3.133 20 0 DGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207799624 1092104969 /nfs/dbraw/zinc/10/49/69/1092104969.db2.gz GPBFWXUWNCNADN-UHFFFAOYSA-N 2 1 322.880 3.273 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207799624 1092104972 /nfs/dbraw/zinc/10/49/72/1092104972.db2.gz GPBFWXUWNCNADN-UHFFFAOYSA-N 2 1 322.880 3.273 20 0 DGADMP Cc1cc(CN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc(C)c1O ZINC001207845435 1092119014 /nfs/dbraw/zinc/11/90/14/1092119014.db2.gz ZPVIYKRTVSUTGJ-BGYRXZFFSA-N 2 1 314.473 3.317 20 0 DGADMP Cc1cc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)cc(C)c1O ZINC001207845435 1092119018 /nfs/dbraw/zinc/11/90/18/1092119018.db2.gz ZPVIYKRTVSUTGJ-BGYRXZFFSA-N 2 1 314.473 3.317 20 0 DGADMP Cc1cc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cc(C)c1O ZINC001207845435 1092119022 /nfs/dbraw/zinc/11/90/22/1092119022.db2.gz ZPVIYKRTVSUTGJ-BGYRXZFFSA-N 2 1 314.473 3.317 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc(C)c1O ZINC001207845435 1092119026 /nfs/dbraw/zinc/11/90/26/1092119026.db2.gz ZPVIYKRTVSUTGJ-BGYRXZFFSA-N 2 1 314.473 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc(C)c1O ZINC001207845435 1092119029 /nfs/dbraw/zinc/11/90/29/1092119029.db2.gz ZPVIYKRTVSUTGJ-BGYRXZFFSA-N 2 1 314.473 3.317 20 0 DGADMP CCc1ccc2c(c1)CN(Cc1ccnn1-c1ccncc1)CC2 ZINC001207862096 1092123041 /nfs/dbraw/zinc/12/30/41/1092123041.db2.gz RFWJCUMACAWUTO-UHFFFAOYSA-N 2 1 318.424 3.388 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC001207910586 1092138196 /nfs/dbraw/zinc/13/81/96/1092138196.db2.gz VEBIJMFYPRBUEV-XLIONFOSSA-N 2 1 316.489 3.365 20 0 DGADMP c1nc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131912 1092147265 /nfs/dbraw/zinc/14/72/65/1092147265.db2.gz OLGZABFLJRTRGT-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131912 1092147271 /nfs/dbraw/zinc/14/72/71/1092147271.db2.gz OLGZABFLJRTRGT-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131912 1092147276 /nfs/dbraw/zinc/14/72/76/1092147276.db2.gz OLGZABFLJRTRGT-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131912 1092147281 /nfs/dbraw/zinc/14/72/81/1092147281.db2.gz OLGZABFLJRTRGT-ZWKOTPCHSA-N 2 1 311.429 3.019 20 0 DGADMP CC[N@@H+](Cc1ccnc2ccc(OC)cc12)C1CCN(C)CC1 ZINC001141148906 1092152154 /nfs/dbraw/zinc/15/21/54/1092152154.db2.gz ADCBQRNTZQLIRX-UHFFFAOYSA-N 2 1 313.445 3.160 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208013131 1092175239 /nfs/dbraw/zinc/17/52/39/1092175239.db2.gz AUCQLIOERTVEPD-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc([C@]2(C)C[N@@H+](CC3(C)CC[NH+](C)CC3)CCO2)cc1 ZINC001208108617 1092198588 /nfs/dbraw/zinc/19/85/88/1092198588.db2.gz GAXOJRFKZFCMLF-FQEVSTJZSA-N 2 1 316.489 3.274 20 0 DGADMP CC/C=C\CCC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001208135957 1092211005 /nfs/dbraw/zinc/21/10/05/1092211005.db2.gz OVZMCWOMENXDOB-ARJAWSKDSA-N 2 1 316.493 3.083 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208142172 1092215503 /nfs/dbraw/zinc/21/55/03/1092215503.db2.gz NJNJIEXRGHYGJA-ILXRZTDVSA-N 2 1 310.532 3.253 20 0 DGADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC1 ZINC001208168675 1092235176 /nfs/dbraw/zinc/23/51/76/1092235176.db2.gz IUOQKQMAIZNJKZ-CVEARBPZSA-N 2 1 305.466 3.109 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208222123 1092275989 /nfs/dbraw/zinc/27/59/89/1092275989.db2.gz PPGPFGMDIURFSM-OAHLLOKOSA-N 2 1 318.461 3.010 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208222123 1092276004 /nfs/dbraw/zinc/27/60/04/1092276004.db2.gz PPGPFGMDIURFSM-OAHLLOKOSA-N 2 1 318.461 3.010 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc4cccnc4cc3F)C[C@H]2C1 ZINC001141634884 1092303368 /nfs/dbraw/zinc/30/33/68/1092303368.db2.gz VIFLYGFDFPUQQC-CALCHBBNSA-N 2 1 313.420 3.148 20 0 DGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208361797 1092329758 /nfs/dbraw/zinc/32/97/58/1092329758.db2.gz ICSOWVAJDGNXTN-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)s2)CCC[C@@H]1C[NH3+] ZINC001205991747 1092343023 /nfs/dbraw/zinc/34/30/23/1092343023.db2.gz BUMBEVDHAZSJMB-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP COC(=O)C1(C)CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001168791496 1092351591 /nfs/dbraw/zinc/35/15/91/1092351591.db2.gz XKRUXFYAKGQZTJ-UHFFFAOYSA-N 2 1 324.509 3.161 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(COc3ccc(F)cc3)CC2)C1 ZINC001208615533 1092430863 /nfs/dbraw/zinc/43/08/63/1092430863.db2.gz HOKAPWWSHUXSEU-QGZVFWFLSA-N 2 1 320.452 3.258 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCc4ccccc4O3)CC2)C1 ZINC001208618534 1092431634 /nfs/dbraw/zinc/43/16/34/1092431634.db2.gz YESFOZRNVJRXPI-KRWDZBQOSA-N 2 1 314.473 3.188 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001276404591 1092470101 /nfs/dbraw/zinc/47/01/01/1092470101.db2.gz QNKZGBAYFFYRJC-IFXJQAMLSA-N 2 1 310.445 3.012 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCCC(C)C)CC2)C1 ZINC001208733433 1092478697 /nfs/dbraw/zinc/47/86/97/1092478697.db2.gz CPYFIXHRXUSBNZ-KRWDZBQOSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC001208839520 1092535242 /nfs/dbraw/zinc/53/52/42/1092535242.db2.gz OIXADBNVWSMOBL-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(F)c3)CC1)C2 ZINC001169119403 1092542695 /nfs/dbraw/zinc/54/26/95/1092542695.db2.gz SNQPFENNQDYKQH-BCDXTJNWSA-N 2 1 302.437 3.363 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118089 1092542813 /nfs/dbraw/zinc/54/28/13/1092542813.db2.gz DKSGCGPMXZCSND-IVSAIRAKSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118089 1092542819 /nfs/dbraw/zinc/54/28/19/1092542819.db2.gz DKSGCGPMXZCSND-IVSAIRAKSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccc3ccccc31)C2 ZINC001169125282 1092544824 /nfs/dbraw/zinc/54/48/24/1092544824.db2.gz YFDYFXIHYKVARP-AXVVYFOYSA-N 2 1 310.441 3.088 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccc3ccccc31)C2 ZINC001169125282 1092544833 /nfs/dbraw/zinc/54/48/33/1092544833.db2.gz YFDYFXIHYKVARP-AXVVYFOYSA-N 2 1 310.441 3.088 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001169124711 1092545980 /nfs/dbraw/zinc/54/59/80/1092545980.db2.gz SHRLVKVZPOILLI-ILWJIGKKSA-N 2 1 318.305 3.332 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125874 1092546186 /nfs/dbraw/zinc/54/61/86/1092546186.db2.gz MVGMJQLVDWOFBX-WCXIOVBPSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125874 1092546192 /nfs/dbraw/zinc/54/61/92/1092546192.db2.gz MVGMJQLVDWOFBX-WCXIOVBPSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125874 1092546202 /nfs/dbraw/zinc/54/62/02/1092546202.db2.gz MVGMJQLVDWOFBX-WCXIOVBPSA-N 2 1 300.446 3.110 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107812 1092553026 /nfs/dbraw/zinc/55/30/26/1092553026.db2.gz KOQJBFPFPNBVQP-MUJYYYPQSA-N 2 1 323.278 3.472 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3cccnc3)cc1)C2 ZINC001169108014 1092553413 /nfs/dbraw/zinc/55/34/13/1092553413.db2.gz MOEDGYVSDJLJCD-OWZKRDHZSA-N 2 1 307.441 3.463 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208880078 1092561480 /nfs/dbraw/zinc/56/14/80/1092561480.db2.gz IFUFJVUJXUKCKP-LJQANCHMSA-N 2 1 300.446 3.276 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208880078 1092561494 /nfs/dbraw/zinc/56/14/94/1092561494.db2.gz IFUFJVUJXUKCKP-LJQANCHMSA-N 2 1 300.446 3.276 20 0 DGADMP C[C@H]1C[N@@H+](Cc2sc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003931 1092588512 /nfs/dbraw/zinc/58/85/12/1092588512.db2.gz NRYAZUWIILMXPU-DTWKUNHWSA-N 2 1 308.278 3.257 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169154978 1092568945 /nfs/dbraw/zinc/56/89/45/1092568945.db2.gz VIACZHMFYWIGDJ-ZJPYXAASSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169154978 1092568954 /nfs/dbraw/zinc/56/89/54/1092568954.db2.gz VIACZHMFYWIGDJ-ZJPYXAASSA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169154978 1092568965 /nfs/dbraw/zinc/56/89/65/1092568965.db2.gz VIACZHMFYWIGDJ-ZJPYXAASSA-N 2 1 300.446 3.110 20 0 DGADMP C[C@H]1C[N@H+](Cc2sc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003931 1092588507 /nfs/dbraw/zinc/58/85/07/1092588507.db2.gz NRYAZUWIILMXPU-DTWKUNHWSA-N 2 1 308.278 3.257 20 0 DGADMP COC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931245 1092593124 /nfs/dbraw/zinc/59/31/24/1092593124.db2.gz IPTDSGPPTJSVPJ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931245 1092593135 /nfs/dbraw/zinc/59/31/35/1092593135.db2.gz IPTDSGPPTJSVPJ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931245 1092593146 /nfs/dbraw/zinc/59/31/46/1092593146.db2.gz IPTDSGPPTJSVPJ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931245 1092593158 /nfs/dbraw/zinc/59/31/58/1092593158.db2.gz IPTDSGPPTJSVPJ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933888 1092595592 /nfs/dbraw/zinc/59/55/92/1092595592.db2.gz WQTAWNDEWYHDFP-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933888 1092595603 /nfs/dbraw/zinc/59/56/03/1092595603.db2.gz WQTAWNDEWYHDFP-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933888 1092595611 /nfs/dbraw/zinc/59/56/11/1092595611.db2.gz WQTAWNDEWYHDFP-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933888 1092595622 /nfs/dbraw/zinc/59/56/22/1092595622.db2.gz WQTAWNDEWYHDFP-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938402 1092599793 /nfs/dbraw/zinc/59/97/93/1092599793.db2.gz BXZTVVMKMNQBLM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938402 1092599801 /nfs/dbraw/zinc/59/98/01/1092599801.db2.gz BXZTVVMKMNQBLM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938402 1092599806 /nfs/dbraw/zinc/59/98/06/1092599806.db2.gz BXZTVVMKMNQBLM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938402 1092599814 /nfs/dbraw/zinc/59/98/14/1092599814.db2.gz BXZTVVMKMNQBLM-RTBURBONSA-N 2 1 316.489 3.134 20 0 DGADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208940036 1092602485 /nfs/dbraw/zinc/60/24/85/1092602485.db2.gz NWNHPURUYRGAIT-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940036 1092602488 /nfs/dbraw/zinc/60/24/88/1092602488.db2.gz NWNHPURUYRGAIT-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940036 1092602491 /nfs/dbraw/zinc/60/24/91/1092602491.db2.gz NWNHPURUYRGAIT-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[C@H]1COCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940716 1092602512 /nfs/dbraw/zinc/60/25/12/1092602512.db2.gz VWLFZPKAIDNAPM-WOJBJXKFSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@H]1COCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940716 1092602516 /nfs/dbraw/zinc/60/25/16/1092602516.db2.gz VWLFZPKAIDNAPM-WOJBJXKFSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940716 1092602521 /nfs/dbraw/zinc/60/25/21/1092602521.db2.gz VWLFZPKAIDNAPM-WOJBJXKFSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)[C@H]1COCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940716 1092602525 /nfs/dbraw/zinc/60/25/25/1092602525.db2.gz VWLFZPKAIDNAPM-WOJBJXKFSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H]1C[C@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208942021 1092602567 /nfs/dbraw/zinc/60/25/67/1092602567.db2.gz BJAVKXSWAWOQSO-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208942021 1092602573 /nfs/dbraw/zinc/60/25/73/1092602573.db2.gz BJAVKXSWAWOQSO-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208942021 1092602577 /nfs/dbraw/zinc/60/25/77/1092602577.db2.gz BJAVKXSWAWOQSO-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208940039 1092602925 /nfs/dbraw/zinc/60/29/25/1092602925.db2.gz NWNHPURUYRGAIT-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940039 1092602927 /nfs/dbraw/zinc/60/29/27/1092602927.db2.gz NWNHPURUYRGAIT-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940039 1092602932 /nfs/dbraw/zinc/60/29/32/1092602932.db2.gz NWNHPURUYRGAIT-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940633 1092603264 /nfs/dbraw/zinc/60/32/64/1092603264.db2.gz TZPGJEQHYQTTDJ-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940633 1092603271 /nfs/dbraw/zinc/60/32/71/1092603271.db2.gz TZPGJEQHYQTTDJ-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940633 1092603279 /nfs/dbraw/zinc/60/32/79/1092603279.db2.gz TZPGJEQHYQTTDJ-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001143015565 1092603799 /nfs/dbraw/zinc/60/37/99/1092603799.db2.gz LOPOFGLISKYAAW-UHFFFAOYSA-N 2 1 324.472 3.005 20 0 DGADMP C[C@@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948448 1092605057 /nfs/dbraw/zinc/60/50/57/1092605057.db2.gz QIZPADWVVSFKDD-NVXWUHKLSA-N 2 1 308.416 3.486 20 0 DGADMP C[C@@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC001208948448 1092605063 /nfs/dbraw/zinc/60/50/63/1092605063.db2.gz QIZPADWVVSFKDD-NVXWUHKLSA-N 2 1 308.416 3.486 20 0 DGADMP c1cn2cc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc2n1 ZINC001143021223 1092605531 /nfs/dbraw/zinc/60/55/31/1092605531.db2.gz SEMDJZGAHHBQJT-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP CCN(CCC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208947070 1092606025 /nfs/dbraw/zinc/60/60/25/1092606025.db2.gz YMQYFXSXSJLXFJ-HXUWFJFHSA-N 2 1 317.521 3.172 20 0 DGADMP CO[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948521 1092606091 /nfs/dbraw/zinc/60/60/91/1092606091.db2.gz QYGMXBMPASRRBA-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948521 1092606092 /nfs/dbraw/zinc/60/60/92/1092606092.db2.gz QYGMXBMPASRRBA-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948521 1092606097 /nfs/dbraw/zinc/60/60/97/1092606097.db2.gz QYGMXBMPASRRBA-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208948521 1092606100 /nfs/dbraw/zinc/60/61/00/1092606100.db2.gz QYGMXBMPASRRBA-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC001208947779 1092606354 /nfs/dbraw/zinc/60/63/54/1092606354.db2.gz CWWDHAUUGQGRBI-TZIWHRDSSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC001208947779 1092606357 /nfs/dbraw/zinc/60/63/57/1092606357.db2.gz CWWDHAUUGQGRBI-TZIWHRDSSA-N 2 1 321.468 3.393 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948085 1092606570 /nfs/dbraw/zinc/60/65/70/1092606570.db2.gz DVZZGGFEHUUKDI-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948085 1092606572 /nfs/dbraw/zinc/60/65/72/1092606572.db2.gz DVZZGGFEHUUKDI-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961094 1092611291 /nfs/dbraw/zinc/61/12/91/1092611291.db2.gz YUZCHAMNNMDGGS-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961094 1092611296 /nfs/dbraw/zinc/61/12/96/1092611296.db2.gz YUZCHAMNNMDGGS-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961094 1092611299 /nfs/dbraw/zinc/61/12/99/1092611299.db2.gz YUZCHAMNNMDGGS-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CCC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961094 1092611306 /nfs/dbraw/zinc/61/13/06/1092611306.db2.gz YUZCHAMNNMDGGS-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001206005851 1092616812 /nfs/dbraw/zinc/61/68/12/1092616812.db2.gz ZABQHHYWNYHOIG-QWHCGFSZSA-N 2 1 312.889 3.213 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001169254915 1092619043 /nfs/dbraw/zinc/61/90/43/1092619043.db2.gz KMOOEIWZXCKETH-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1C[C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)c2ccccc21 ZINC001169369120 1092656985 /nfs/dbraw/zinc/65/69/85/1092656985.db2.gz YZMONQGBLIBHBL-RHSMWYFYSA-N 2 1 308.429 3.152 20 0 DGADMP C[C@@H]1C[C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)c2ccccc21 ZINC001169369119 1092657032 /nfs/dbraw/zinc/65/70/32/1092657032.db2.gz YZMONQGBLIBHBL-PBHICJAKSA-N 2 1 308.429 3.152 20 0 DGADMP C[C@H]1C[C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)c2ccccc21 ZINC001169369122 1092657549 /nfs/dbraw/zinc/65/75/49/1092657549.db2.gz YZMONQGBLIBHBL-YOEHRIQHSA-N 2 1 308.429 3.152 20 0 DGADMP CN1CCC([N@@H+](C)CCc2cccc(C(F)(F)F)c2)CC1 ZINC001209115872 1092658604 /nfs/dbraw/zinc/65/86/04/1092658604.db2.gz ZSXZNUBKGDKWEB-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP C[N@H+](CCc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001209115872 1092658606 /nfs/dbraw/zinc/65/86/06/1092658606.db2.gz ZSXZNUBKGDKWEB-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001209115872 1092658615 /nfs/dbraw/zinc/65/86/15/1092658615.db2.gz ZSXZNUBKGDKWEB-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP CN1CCC[C@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127498 1092666224 /nfs/dbraw/zinc/66/62/24/1092666224.db2.gz VVHBDGMBDJJYQH-GOEBONIOSA-N 2 1 312.379 3.274 20 0 DGADMP C[N@@H+]1CCC[C@H]2CN(CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127498 1092666227 /nfs/dbraw/zinc/66/62/27/1092666227.db2.gz VVHBDGMBDJJYQH-GOEBONIOSA-N 2 1 312.379 3.274 20 0 DGADMP Cc1ncccc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276623326 1092681443 /nfs/dbraw/zinc/68/14/43/1092681443.db2.gz SGSYZSOKUARORS-UHFFFAOYSA-N 2 1 321.468 3.369 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206011556 1092683636 /nfs/dbraw/zinc/68/36/36/1092683636.db2.gz DQMLZBIVCKNKCQ-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCc3cc(F)c(F)cc3F)C2)CC1 ZINC001209252464 1092715090 /nfs/dbraw/zinc/71/50/90/1092715090.db2.gz LVSZQFYAYOCEHM-UHFFFAOYSA-N 2 1 312.379 3.064 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276629542 1092722425 /nfs/dbraw/zinc/72/24/25/1092722425.db2.gz GYHFPRJRSPJXCK-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276629542 1092722433 /nfs/dbraw/zinc/72/24/33/1092722433.db2.gz GYHFPRJRSPJXCK-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276629542 1092722442 /nfs/dbraw/zinc/72/24/42/1092722442.db2.gz GYHFPRJRSPJXCK-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001206632499 1092745337 /nfs/dbraw/zinc/74/53/37/1092745337.db2.gz LSSYELVMBZOBPU-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001206632499 1092745343 /nfs/dbraw/zinc/74/53/43/1092745343.db2.gz LSSYELVMBZOBPU-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP CCOc1ncc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1C ZINC001276638803 1092747734 /nfs/dbraw/zinc/74/77/34/1092747734.db2.gz JGIWBPQGPMYBHK-UHFFFAOYSA-N 2 1 317.477 3.097 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001209449299 1092779004 /nfs/dbraw/zinc/77/90/04/1092779004.db2.gz YGHCHXDXQQMIKT-GOSISDBHSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001209449299 1092779010 /nfs/dbraw/zinc/77/90/10/1092779010.db2.gz YGHCHXDXQQMIKT-GOSISDBHSA-N 2 1 306.425 3.155 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CCC2 ZINC001209454772 1092781696 /nfs/dbraw/zinc/78/16/96/1092781696.db2.gz UCBAEBGYXAKSQG-UHFFFAOYSA-N 2 1 302.462 3.319 20 0 DGADMP COc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CCC2 ZINC001209454772 1092781703 /nfs/dbraw/zinc/78/17/03/1092781703.db2.gz UCBAEBGYXAKSQG-UHFFFAOYSA-N 2 1 302.462 3.319 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C(F)(F)F)o3)(C1)CCC2 ZINC001276676671 1093009083 /nfs/dbraw/zinc/00/90/83/1093009083.db2.gz KVTWXLYYQKNFKK-UONOGXRCSA-N 2 1 302.340 3.453 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)CC[NH2+]1 ZINC001210497296 1093189076 /nfs/dbraw/zinc/18/90/76/1093189076.db2.gz NCUHCGUSWVGERM-LLVKDONJSA-N 2 1 322.250 3.114 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC[NH2+]1 ZINC001210497296 1093189080 /nfs/dbraw/zinc/18/90/80/1093189080.db2.gz NCUHCGUSWVGERM-LLVKDONJSA-N 2 1 322.250 3.114 20 0 DGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210790147 1093282989 /nfs/dbraw/zinc/28/29/89/1093282989.db2.gz VFRPNZAHUWKHLJ-DVBCCOPCSA-N 2 1 323.525 3.045 20 0 DGADMP C[N@@H+]1CCC2(C[NH+](C[C@@H]3CC=C(CCCC(C)(C)O)CC3)C2)C1 ZINC001276695556 1093403298 /nfs/dbraw/zinc/40/32/98/1093403298.db2.gz DQJWBLDWTXSSKM-GOSISDBHSA-N 2 1 320.521 3.292 20 0 DGADMP C[N@H+]1CCC2(C[NH+](C[C@@H]3CC=C(CCCC(C)(C)O)CC3)C2)C1 ZINC001276695556 1093403302 /nfs/dbraw/zinc/40/33/02/1093403302.db2.gz DQJWBLDWTXSSKM-GOSISDBHSA-N 2 1 320.521 3.292 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)CC1 ZINC001276696972 1093441862 /nfs/dbraw/zinc/44/18/62/1093441862.db2.gz ZQPNLJIHVXFNKI-HXUWFJFHSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001276696972 1093441868 /nfs/dbraw/zinc/44/18/68/1093441868.db2.gz ZQPNLJIHVXFNKI-HXUWFJFHSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001276696972 1093441870 /nfs/dbraw/zinc/44/18/70/1093441870.db2.gz ZQPNLJIHVXFNKI-HXUWFJFHSA-N 3 1 319.537 3.059 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC1CC[NH2+]CC1 ZINC001276709198 1093730165 /nfs/dbraw/zinc/73/01/65/1093730165.db2.gz GZANEIJZDAIUEE-IHPCNDPISA-N 2 1 321.553 3.351 20 0 DGADMP CCCC[C@H](CC)CN1CC[C@H]2[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001276709198 1093730170 /nfs/dbraw/zinc/73/01/70/1093730170.db2.gz GZANEIJZDAIUEE-IHPCNDPISA-N 2 1 321.553 3.351 20 0 DGADMP CCCC[C@H](CC)CN1CC[C@H]2[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001276709198 1093730174 /nfs/dbraw/zinc/73/01/74/1093730174.db2.gz GZANEIJZDAIUEE-IHPCNDPISA-N 2 1 321.553 3.351 20 0 DGADMP COc1ccccc1CC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276714786 1093857026 /nfs/dbraw/zinc/85/70/26/1093857026.db2.gz LCZIXIFRKWFISH-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276714786 1093857030 /nfs/dbraw/zinc/85/70/30/1093857030.db2.gz LCZIXIFRKWFISH-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276714786 1093857037 /nfs/dbraw/zinc/85/70/37/1093857037.db2.gz LCZIXIFRKWFISH-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000401765918 1093970977 /nfs/dbraw/zinc/97/09/77/1093970977.db2.gz GEAQGJVHXWWQJT-UHFFFAOYSA-N 2 1 315.364 3.364 20 0 DGADMP Cc1nc2cc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)ccc2s1 ZINC001276746557 1094254151 /nfs/dbraw/zinc/25/41/51/1094254151.db2.gz JBLJMUSJBVWOML-IYBDPMFKSA-N 2 1 315.486 3.378 20 0 DGADMP Cc1nc2cc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)ccc2s1 ZINC001276746557 1094254155 /nfs/dbraw/zinc/25/41/55/1094254155.db2.gz JBLJMUSJBVWOML-IYBDPMFKSA-N 2 1 315.486 3.378 20 0 DGADMP Cc1nc2cc(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)ccc2s1 ZINC001276746557 1094254160 /nfs/dbraw/zinc/25/41/60/1094254160.db2.gz JBLJMUSJBVWOML-IYBDPMFKSA-N 2 1 315.486 3.378 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)n1 ZINC001119954815 1094320399 /nfs/dbraw/zinc/32/03/99/1094320399.db2.gz VTLMVIDNQXAFID-UHFFFAOYSA-N 2 1 304.482 3.098 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc(-c3cccn4c[nH+]cc34)n2)cc1 ZINC001217341444 1094380639 /nfs/dbraw/zinc/38/06/39/1094380639.db2.gz IMOGEAMGQUSTSI-UHFFFAOYSA-N 2 1 319.368 3.113 20 0 DGADMP CC(C)(C)c1ccc(-c2nnc([C@H]([NH3+])CCCC[NH3+])o2)cc1 ZINC001217698373 1094476058 /nfs/dbraw/zinc/47/60/58/1094476058.db2.gz BKIHXKZJXDCBQP-CQSZACIVSA-N 2 1 302.422 3.163 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001217712752 1094481323 /nfs/dbraw/zinc/48/13/23/1094481323.db2.gz FCDXVLUGIYRJLO-PMPSAXMXSA-N 2 1 314.433 3.072 20 0 DGADMP Cc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH+](C)C)o2)cc1C ZINC001217714168 1094481757 /nfs/dbraw/zinc/48/17/57/1094481757.db2.gz JXIKRXFCZKTJJW-HNNXBMFYSA-N 2 1 302.422 3.085 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC[C@H]1CC[C@H]([NH3+])CC1 ZINC001217769429 1094492860 /nfs/dbraw/zinc/49/28/60/1094492860.db2.gz RFGWYIXOWUTZBQ-FRYIKTPZSA-N 2 1 316.489 3.431 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001217773385 1094494419 /nfs/dbraw/zinc/49/44/19/1094494419.db2.gz OPINRLICISCOGD-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1ccc(N2CCC[C@@H](OCCC[C@H]3CCC[NH2+]C3)C2)[nH+]c1 ZINC001217914509 1094516986 /nfs/dbraw/zinc/51/69/86/1094516986.db2.gz ZKGPQFZGQGZZSN-QZTJIDSGSA-N 2 1 317.477 3.155 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276765286 1094522370 /nfs/dbraw/zinc/52/23/70/1094522370.db2.gz UJEMNCUKRPHGIG-KURKYZTESA-N 2 1 310.526 3.227 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276765286 1094522374 /nfs/dbraw/zinc/52/23/74/1094522374.db2.gz UJEMNCUKRPHGIG-KURKYZTESA-N 2 1 310.526 3.227 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276765286 1094522379 /nfs/dbraw/zinc/52/23/79/1094522379.db2.gz UJEMNCUKRPHGIG-KURKYZTESA-N 2 1 310.526 3.227 20 0 DGADMP CC[C@]1(c2cccc(O[C@@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218038693 1094573436 /nfs/dbraw/zinc/57/34/36/1094573436.db2.gz SEMUSZLRIORNEL-MOPGFXCFSA-N 2 1 302.462 3.191 20 0 DGADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586245 1094585604 /nfs/dbraw/zinc/58/56/04/1094585604.db2.gz ZJZMKRPJHFHWIS-HZPDHXFCSA-N 2 1 322.497 3.070 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170828344 1094594262 /nfs/dbraw/zinc/59/42/62/1094594262.db2.gz ZQSRMHGYDPRHTO-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770661 1094608905 /nfs/dbraw/zinc/60/89/05/1094608905.db2.gz QNPALRVRPNIDGO-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770661 1094608914 /nfs/dbraw/zinc/60/89/14/1094608914.db2.gz QNPALRVRPNIDGO-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770661 1094608916 /nfs/dbraw/zinc/60/89/16/1094608916.db2.gz QNPALRVRPNIDGO-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001276770661 1094608925 /nfs/dbraw/zinc/60/89/25/1094608925.db2.gz QNPALRVRPNIDGO-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC ZINC001135690539 1094636353 /nfs/dbraw/zinc/63/63/53/1094636353.db2.gz IPEBDZXKZMROIJ-DLBZAZTESA-N 2 1 313.530 3.172 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](Oc3cccc4c3C[NH2+]C4)C2)cc1 ZINC001218175665 1094644288 /nfs/dbraw/zinc/64/42/88/1094644288.db2.gz DXCJMJIQLPKKMR-GOSISDBHSA-N 2 1 308.425 3.333 20 0 DGADMP CC[C@@]1(c2cccc(O[C@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218182364 1094646143 /nfs/dbraw/zinc/64/61/43/1094646143.db2.gz SEMUSZLRIORNEL-RBUKOAKNSA-N 2 1 302.462 3.191 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC001218293536 1094700586 /nfs/dbraw/zinc/70/05/86/1094700586.db2.gz BBOZSRSFRYONCT-FRQCXROJSA-N 2 1 300.446 3.177 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000309706252 1094758133 /nfs/dbraw/zinc/75/81/33/1094758133.db2.gz HWANGOJKKCTTCO-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001170877763 1094791753 /nfs/dbraw/zinc/79/17/53/1094791753.db2.gz GTACJUUPMGLFFU-CVEARBPZSA-N 2 1 322.497 3.070 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218485051 1094806423 /nfs/dbraw/zinc/80/64/23/1094806423.db2.gz YOZIWUMPTBWGGY-KKSFZXQISA-N 2 1 322.452 3.232 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218484916 1094807445 /nfs/dbraw/zinc/80/74/45/1094807445.db2.gz LOOLJLGCAANQBP-YWZLYKJASA-N 2 1 308.425 3.189 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001121909514 1094822600 /nfs/dbraw/zinc/82/26/00/1094822600.db2.gz UEJJOEXZPWITLJ-AEFFLSMTSA-N 2 1 323.525 3.055 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170944030 1094982106 /nfs/dbraw/zinc/98/21/06/1094982106.db2.gz OPXWMKJDUSGWAD-BBWFWOEESA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170944030 1094982114 /nfs/dbraw/zinc/98/21/14/1094982114.db2.gz OPXWMKJDUSGWAD-BBWFWOEESA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170944030 1094982125 /nfs/dbraw/zinc/98/21/25/1094982125.db2.gz OPXWMKJDUSGWAD-BBWFWOEESA-N 2 1 318.892 3.471 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCCc2ccc(Br)cc2)C[NH2+]1 ZINC001246081783 1094997460 /nfs/dbraw/zinc/99/74/60/1094997460.db2.gz IDJAUHBMTBAARU-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000699224902 1095073723 /nfs/dbraw/zinc/07/37/23/1095073723.db2.gz CSPCDKPWKZYQDY-XUBOLADHSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188362 1095088558 /nfs/dbraw/zinc/08/85/58/1095088558.db2.gz WJEFGPNRFLUXBU-CMPLNLGQSA-N 2 1 302.796 3.281 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)nc3F)CC2)C1 ZINC001276813418 1095096794 /nfs/dbraw/zinc/09/67/94/1095096794.db2.gz POLUXXOTJJSXLI-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP CCCCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207908 1095100273 /nfs/dbraw/zinc/10/02/73/1095100273.db2.gz QVBXREWSMSOBIK-CABCVRRESA-N 2 1 300.487 3.384 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC001246213421 1095105093 /nfs/dbraw/zinc/10/50/93/1095105093.db2.gz UWPSTFLERJCGAK-VXGBXAGGSA-N 2 1 315.230 3.208 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)CC[NH2+]1 ZINC001246243727 1095139917 /nfs/dbraw/zinc/13/99/17/1095139917.db2.gz MLHQNISARGXVGV-PWSUYJOCSA-N 2 1 317.296 3.377 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171057192 1095215893 /nfs/dbraw/zinc/21/58/93/1095215893.db2.gz VRAGFSHMHVLCSY-IXDOHACOSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171057192 1095215901 /nfs/dbraw/zinc/21/59/01/1095215901.db2.gz VRAGFSHMHVLCSY-IXDOHACOSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171057192 1095215910 /nfs/dbraw/zinc/21/59/10/1095215910.db2.gz VRAGFSHMHVLCSY-IXDOHACOSA-N 2 1 318.892 3.471 20 0 DGADMP Cc1ccn2c(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)cnc2c1 ZINC001136889297 1095220466 /nfs/dbraw/zinc/22/04/66/1095220466.db2.gz QJYMSXGIAASBNO-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c3ccoc31)CC2 ZINC001276819890 1095224152 /nfs/dbraw/zinc/22/41/52/1095224152.db2.gz ZZKRNVKXQUJJQB-UHFFFAOYSA-N 2 1 302.393 3.490 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136987452 1095270085 /nfs/dbraw/zinc/27/00/85/1095270085.db2.gz YGSDKRRLKRXQRY-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136987452 1095270103 /nfs/dbraw/zinc/27/01/03/1095270103.db2.gz YGSDKRRLKRXQRY-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136987452 1095270119 /nfs/dbraw/zinc/27/01/19/1095270119.db2.gz YGSDKRRLKRXQRY-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136987452 1095270132 /nfs/dbraw/zinc/27/01/32/1095270132.db2.gz YGSDKRRLKRXQRY-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579586 1095285626 /nfs/dbraw/zinc/28/56/26/1095285626.db2.gz VVGGVOZZZFNMSO-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137031047 1095297153 /nfs/dbraw/zinc/29/71/53/1095297153.db2.gz ZWKHSIPFEBXUFO-GOSISDBHSA-N 2 1 310.397 3.074 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137031047 1095297181 /nfs/dbraw/zinc/29/71/81/1095297181.db2.gz ZWKHSIPFEBXUFO-GOSISDBHSA-N 2 1 310.397 3.074 20 0 DGADMP CC[C@@]1([NH2+][C@H](C)Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246464676 1095302822 /nfs/dbraw/zinc/30/28/22/1095302822.db2.gz SLFNNNPDBSPAPA-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1C(F)(F)F ZINC001143627932 1095319889 /nfs/dbraw/zinc/31/98/89/1095319889.db2.gz AXPFBSITCRGQNJ-UHFFFAOYSA-N 2 1 316.367 3.240 20 0 DGADMP COc1ccc(CN(C)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001143627932 1095319906 /nfs/dbraw/zinc/31/99/06/1095319906.db2.gz AXPFBSITCRGQNJ-UHFFFAOYSA-N 2 1 316.367 3.240 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143626324 1095327524 /nfs/dbraw/zinc/32/75/24/1095327524.db2.gz QNADZCYUEGMEDY-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP Cn1ccc2c1[nH+]ccc2-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171098439 1095357033 /nfs/dbraw/zinc/35/70/33/1095357033.db2.gz GEJQTQOTONUULN-ZDUSSCGKSA-N 2 1 316.408 3.333 20 0 DGADMP CCc1[nH]ncc1C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222119564 1095444319 /nfs/dbraw/zinc/44/43/19/1095444319.db2.gz ISGKZKGAPRKRIY-UHFFFAOYSA-N 2 1 304.482 3.108 20 0 DGADMP Brc1ccccc1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141273 1095453400 /nfs/dbraw/zinc/45/34/00/1095453400.db2.gz JDJNQQGRHTXOHY-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP Brc1ccccc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141273 1095453403 /nfs/dbraw/zinc/45/34/03/1095453403.db2.gz JDJNQQGRHTXOHY-MRXNPFEDSA-N 2 1 323.278 3.067 20 0 DGADMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n(Cc2ccccc2)c1 ZINC001222147934 1095456941 /nfs/dbraw/zinc/45/69/41/1095456941.db2.gz FOYAMZYTKVPGKR-HXUWFJFHSA-N 2 1 309.457 3.112 20 0 DGADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n(Cc2ccccc2)c1 ZINC001222147934 1095456944 /nfs/dbraw/zinc/45/69/44/1095456944.db2.gz FOYAMZYTKVPGKR-HXUWFJFHSA-N 2 1 309.457 3.112 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149361 1095459601 /nfs/dbraw/zinc/45/96/01/1095459601.db2.gz XWEQFJISUMSXQL-SFHVURJKSA-N 2 1 313.470 3.386 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148770 1095459644 /nfs/dbraw/zinc/45/96/44/1095459644.db2.gz SSPILPIUOJUYMA-SFHVURJKSA-N 2 1 301.409 3.191 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148770 1095459648 /nfs/dbraw/zinc/45/96/48/1095459648.db2.gz SSPILPIUOJUYMA-SFHVURJKSA-N 2 1 301.409 3.191 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161836 1095469051 /nfs/dbraw/zinc/46/90/51/1095469051.db2.gz RITPPFBVUMQMOD-LJQANCHMSA-N 2 1 318.509 3.453 20 0 DGADMP c1nc2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)ccc2[nH]1 ZINC001222161925 1095469073 /nfs/dbraw/zinc/46/90/73/1095469073.db2.gz TZXOKSKCAPVKOM-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2ccc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc2[nH]1 ZINC001222161925 1095469078 /nfs/dbraw/zinc/46/90/78/1095469078.db2.gz TZXOKSKCAPVKOM-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2ccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc2[nH]1 ZINC001222161925 1095469085 /nfs/dbraw/zinc/46/90/85/1095469085.db2.gz TZXOKSKCAPVKOM-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1[nH+]c(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)n2ccccc12 ZINC001222161904 1095469599 /nfs/dbraw/zinc/46/95/99/1095469599.db2.gz SPWJMJHDFPMPIW-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(C)n1 ZINC001222166701 1095470735 /nfs/dbraw/zinc/47/07/35/1095470735.db2.gz CELHEMKOEWXAGQ-LJQANCHMSA-N 2 1 301.478 3.444 20 0 DGADMP Nc1ccc(F)cc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166820 1095471521 /nfs/dbraw/zinc/47/15/21/1095471521.db2.gz COQKQRJYNRNRKJ-GOSISDBHSA-N 2 1 305.441 3.154 20 0 DGADMP Nc1ccc(F)cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166820 1095471529 /nfs/dbraw/zinc/47/15/29/1095471529.db2.gz COQKQRJYNRNRKJ-GOSISDBHSA-N 2 1 305.441 3.154 20 0 DGADMP Nc1ccc(F)cc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166821 1095471642 /nfs/dbraw/zinc/47/16/42/1095471642.db2.gz COQKQRJYNRNRKJ-SFHVURJKSA-N 2 1 305.441 3.154 20 0 DGADMP Nc1ccc(F)cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166821 1095471646 /nfs/dbraw/zinc/47/16/46/1095471646.db2.gz COQKQRJYNRNRKJ-SFHVURJKSA-N 2 1 305.441 3.154 20 0 DGADMP c1[nH]c2ccncc2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167675 1095473599 /nfs/dbraw/zinc/47/35/99/1095473599.db2.gz PBOTUCJLZCZWMI-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167675 1095473604 /nfs/dbraw/zinc/47/36/04/1095473604.db2.gz PBOTUCJLZCZWMI-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1nc2cc[nH]cc-2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167675 1095473612 /nfs/dbraw/zinc/47/36/12/1095473612.db2.gz PBOTUCJLZCZWMI-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1cn2ccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc2n1 ZINC001222167708 1095473946 /nfs/dbraw/zinc/47/39/46/1095473946.db2.gz PRBHRTVRQQBTFK-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP COCc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)o1 ZINC001222167896 1095474540 /nfs/dbraw/zinc/47/45/40/1095474540.db2.gz UTBJVTOLMBGGRR-GOSISDBHSA-N 2 1 306.450 3.172 20 0 DGADMP COCc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)o1 ZINC001222167896 1095474547 /nfs/dbraw/zinc/47/45/47/1095474547.db2.gz UTBJVTOLMBGGRR-GOSISDBHSA-N 2 1 306.450 3.172 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)ccn2n1 ZINC001222173870 1095478590 /nfs/dbraw/zinc/47/85/90/1095478590.db2.gz YSBYAPXKIVFWGM-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)c1ccc(C)c(C)c1 ZINC001339064056 1095483025 /nfs/dbraw/zinc/48/30/25/1095483025.db2.gz USQJZQBZRNBGHA-UHFFFAOYSA-N 2 1 306.369 3.445 20 0 DGADMP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222237506 1095505804 /nfs/dbraw/zinc/50/58/04/1095505804.db2.gz LIQLCIPISAJVEH-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222237506 1095505813 /nfs/dbraw/zinc/50/58/13/1095505813.db2.gz LIQLCIPISAJVEH-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001222237625 1095506284 /nfs/dbraw/zinc/50/62/84/1095506284.db2.gz OOJKAMHNLGTGBZ-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001222237625 1095506295 /nfs/dbraw/zinc/50/62/95/1095506295.db2.gz OOJKAMHNLGTGBZ-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC001116294721 1095507419 /nfs/dbraw/zinc/50/74/19/1095507419.db2.gz QDPZKXIDFKXGAG-BBRMVZONSA-N 2 1 302.418 3.261 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC001116294721 1095507426 /nfs/dbraw/zinc/50/74/26/1095507426.db2.gz QDPZKXIDFKXGAG-BBRMVZONSA-N 2 1 302.418 3.261 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)nc1 ZINC001222244475 1095509825 /nfs/dbraw/zinc/50/98/25/1095509825.db2.gz ZDIWKPSBUNIWGG-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)nc1 ZINC001222244475 1095509834 /nfs/dbraw/zinc/50/98/34/1095509834.db2.gz ZDIWKPSBUNIWGG-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2)nc1 ZINC001222248287 1095510892 /nfs/dbraw/zinc/51/08/92/1095510892.db2.gz KKSCGWUSVPMFSK-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2)nc1 ZINC001222248287 1095510905 /nfs/dbraw/zinc/51/09/05/1095510905.db2.gz KKSCGWUSVPMFSK-HXUWFJFHSA-N 2 1 307.441 3.467 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1)OCc1ccccc1 ZINC001222258649 1095515027 /nfs/dbraw/zinc/51/50/27/1095515027.db2.gz DHYCDXCLZQYSMO-PKOBYXMFSA-N 2 1 302.462 3.057 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222264526 1095518649 /nfs/dbraw/zinc/51/86/49/1095518649.db2.gz DDYPXDQFVNIRLI-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222264526 1095518661 /nfs/dbraw/zinc/51/86/61/1095518661.db2.gz DDYPXDQFVNIRLI-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1OC ZINC001222264883 1095519477 /nfs/dbraw/zinc/51/94/77/1095519477.db2.gz JXCQNXRYUKBBMJ-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1OC ZINC001222264883 1095519491 /nfs/dbraw/zinc/51/94/91/1095519491.db2.gz JXCQNXRYUKBBMJ-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264720 1095520304 /nfs/dbraw/zinc/52/03/04/1095520304.db2.gz HBOKAJPQNBFULK-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264720 1095520314 /nfs/dbraw/zinc/52/03/14/1095520314.db2.gz HBOKAJPQNBFULK-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP c1nc2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc2s1 ZINC001222272393 1095523290 /nfs/dbraw/zinc/52/32/90/1095523290.db2.gz SUVRSHIOYPVJLC-KRWDZBQOSA-N 2 1 301.459 3.262 20 0 DGADMP c1nc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc2s1 ZINC001222272393 1095523298 /nfs/dbraw/zinc/52/32/98/1095523298.db2.gz SUVRSHIOYPVJLC-KRWDZBQOSA-N 2 1 301.459 3.262 20 0 DGADMP Fc1cccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccnc12 ZINC001222271765 1095523591 /nfs/dbraw/zinc/52/35/91/1095523591.db2.gz JQTQYULTYVDXAV-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP Fc1cccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccnc12 ZINC001222271765 1095523600 /nfs/dbraw/zinc/52/36/00/1095523600.db2.gz JQTQYULTYVDXAV-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP COc1ccc(Cl)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222308642 1095541598 /nfs/dbraw/zinc/54/15/98/1095541598.db2.gz KVLMTEBZHSKDOG-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222308642 1095541607 /nfs/dbraw/zinc/54/16/07/1095541607.db2.gz KVLMTEBZHSKDOG-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cccc(Cl)c1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314026 1095544966 /nfs/dbraw/zinc/54/49/66/1095544966.db2.gz AOYOXWDOVYWQAV-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314026 1095544969 /nfs/dbraw/zinc/54/49/69/1095544969.db2.gz AOYOXWDOVYWQAV-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314275 1095545744 /nfs/dbraw/zinc/54/57/44/1095545744.db2.gz FCUUHSBSWWFOAZ-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314275 1095545758 /nfs/dbraw/zinc/54/57/58/1095545758.db2.gz FCUUHSBSWWFOAZ-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP Clc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc2c1OCO2 ZINC001222316417 1095548653 /nfs/dbraw/zinc/54/86/53/1095548653.db2.gz WAXNBWIMXHJYMS-QGZVFWFLSA-N 2 1 322.836 3.177 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc2c1OCO2 ZINC001222316417 1095548658 /nfs/dbraw/zinc/54/86/58/1095548658.db2.gz WAXNBWIMXHJYMS-QGZVFWFLSA-N 2 1 322.836 3.177 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320942 1095551002 /nfs/dbraw/zinc/55/10/02/1095551002.db2.gz OPRYODYJJFUCRW-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320942 1095551014 /nfs/dbraw/zinc/55/10/14/1095551014.db2.gz OPRYODYJJFUCRW-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222385085 1095584089 /nfs/dbraw/zinc/58/40/89/1095584089.db2.gz FKTVAAIIYHXFJS-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222385085 1095584093 /nfs/dbraw/zinc/58/40/93/1095584093.db2.gz FKTVAAIIYHXFJS-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP c1cc(C[N@H+]2CCCC3(CCCC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001222401527 1095596138 /nfs/dbraw/zinc/59/61/38/1095596138.db2.gz VCLAXJKFJNZIHW-UHFFFAOYSA-N 2 1 313.489 3.252 20 0 DGADMP C[NH+]1CCC(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001222509676 1095644745 /nfs/dbraw/zinc/64/47/45/1095644745.db2.gz QZJRKSLTJYWAEF-YSIASYRMSA-N 2 1 314.473 3.008 20 0 DGADMP CCOc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596235 1095681841 /nfs/dbraw/zinc/68/18/41/1095681841.db2.gz SSFPCEFVFZRRHR-LJQANCHMSA-N 2 1 322.452 3.274 20 0 DGADMP CCOc1ccccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596235 1095681847 /nfs/dbraw/zinc/68/18/47/1095681847.db2.gz SSFPCEFVFZRRHR-LJQANCHMSA-N 2 1 322.452 3.274 20 0 DGADMP c1cc2ccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2[nH]1 ZINC001222601882 1095687803 /nfs/dbraw/zinc/68/78/03/1095687803.db2.gz CAUZJQDIOZLNKC-LJQANCHMSA-N 2 1 317.436 3.357 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602705 1095687993 /nfs/dbraw/zinc/68/79/93/1095687993.db2.gz XSAMQWCMOOKSHW-FQEVSTJZSA-N 2 1 322.452 3.198 20 0 DGADMP COc1cc(C)cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222609140 1095692454 /nfs/dbraw/zinc/69/24/54/1095692454.db2.gz LKTOYXIYZBARKA-HXUWFJFHSA-N 2 1 322.452 3.193 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001222620077 1095695899 /nfs/dbraw/zinc/69/58/99/1095695899.db2.gz FRMSRURISOYORN-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP Fc1cccc(C(F)(F)F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623463 1095698135 /nfs/dbraw/zinc/69/81/35/1095698135.db2.gz KGBPTPDPDOVUBH-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c12 ZINC001222623898 1095698961 /nfs/dbraw/zinc/69/89/61/1095698961.db2.gz OYHFSUPRXOQEIJ-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(O)c3ccccc13)C2 ZINC001276391812 1095700078 /nfs/dbraw/zinc/70/00/78/1095700078.db2.gz VQAWZXOTDPQKAM-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001276391812 1095700088 /nfs/dbraw/zinc/70/00/88/1095700088.db2.gz VQAWZXOTDPQKAM-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001276391812 1095700102 /nfs/dbraw/zinc/70/01/02/1095700102.db2.gz VQAWZXOTDPQKAM-FQEVSTJZSA-N 2 1 310.441 3.463 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)cc1 ZINC001222630085 1095701857 /nfs/dbraw/zinc/70/18/57/1095701857.db2.gz YLAIBJLTRVVBDW-BGYRXZFFSA-N 2 1 321.468 3.488 20 0 DGADMP c1[nH+]c(CN2CCCC[C@H]2CC[NH+]2CCCC2)c2ccccn12 ZINC001144623397 1095738529 /nfs/dbraw/zinc/73/85/29/1095738529.db2.gz UUBXUKQFMKHOQY-KRWDZBQOSA-N 2 1 312.461 3.175 20 0 DGADMP Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC001137808541 1095746668 /nfs/dbraw/zinc/74/66/68/1095746668.db2.gz VFTWYUVEZUTOGM-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(F)c(F)cc3Cl)C[C@@H]2C1 ZINC001144723919 1095789546 /nfs/dbraw/zinc/78/95/46/1095789546.db2.gz XHOFWADDIXHFSY-PWSUYJOCSA-N 2 1 300.780 3.002 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001276872205 1095903240 /nfs/dbraw/zinc/90/32/40/1095903240.db2.gz NOXUJICIISYYCM-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001276872205 1095903250 /nfs/dbraw/zinc/90/32/50/1095903250.db2.gz NOXUJICIISYYCM-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001276872205 1095903259 /nfs/dbraw/zinc/90/32/59/1095903259.db2.gz NOXUJICIISYYCM-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001276872207 1095903336 /nfs/dbraw/zinc/90/33/36/1095903336.db2.gz NOXUJICIISYYCM-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001276872207 1095903342 /nfs/dbraw/zinc/90/33/42/1095903342.db2.gz NOXUJICIISYYCM-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3cnccn3)cc1)C2 ZINC001276872207 1095903350 /nfs/dbraw/zinc/90/33/50/1095903350.db2.gz NOXUJICIISYYCM-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+](Cc1ccc(N2CCCCC2)o1)CC1CC[NH+](C)CC1 ZINC001138175794 1095914684 /nfs/dbraw/zinc/91/46/84/1095914684.db2.gz GEPFOESJPFNXGY-UHFFFAOYSA-N 2 1 305.466 3.044 20 0 DGADMP CC(C)n1ncc2c1[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC001118034048 1095925261 /nfs/dbraw/zinc/92/52/61/1095925261.db2.gz VMVFWBJEXVIGLU-BRWVUGGUSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC001118034048 1095925267 /nfs/dbraw/zinc/92/52/67/1095925267.db2.gz VMVFWBJEXVIGLU-BRWVUGGUSA-N 2 1 302.466 3.058 20 0 DGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC001118034048 1095925276 /nfs/dbraw/zinc/92/52/76/1095925276.db2.gz VMVFWBJEXVIGLU-BRWVUGGUSA-N 2 1 302.466 3.058 20 0 DGADMP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cncn2C(C)C)n1 ZINC001118099326 1095936457 /nfs/dbraw/zinc/93/64/57/1095936457.db2.gz KBLLJFYXVAGKNZ-INIZCTEOSA-N 2 1 313.449 3.244 20 0 DGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253745 1095936352 /nfs/dbraw/zinc/93/63/52/1095936352.db2.gz IWTGEHDSXGSHNV-OSJSJHBBSA-N 2 1 323.525 3.092 20 0 DGADMP [NH3+][C@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC001341381352 1096166387 /nfs/dbraw/zinc/16/63/87/1096166387.db2.gz VRPPSSSWDIGVFG-QGZVFWFLSA-N 2 1 324.428 3.101 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC(C)([NH3+])CC1)CC2 ZINC001171297331 1096177122 /nfs/dbraw/zinc/17/71/22/1096177122.db2.gz FFCPRVKJRLFKDO-GFCCVEGCSA-N 2 1 308.853 3.019 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1cccnc1 ZINC001119542122 1096223854 /nfs/dbraw/zinc/22/38/54/1096223854.db2.gz XGQWMGBTFCEKLA-JLAWEPINSA-N 2 1 317.477 3.156 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001119610697 1096232899 /nfs/dbraw/zinc/23/28/99/1096232899.db2.gz CZMFJRCDXLVMHW-SOXMVSPVSA-N 2 1 300.446 3.363 20 0 DGADMP Cc1cccc(N2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)[nH+]1 ZINC001276980737 1096238834 /nfs/dbraw/zinc/23/88/34/1096238834.db2.gz GGKRMIDTSUDFKJ-UHFFFAOYSA-N 2 1 310.445 3.211 20 0 DGADMP Cc1cccc(N2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)[nH+]1 ZINC001276980737 1096238842 /nfs/dbraw/zinc/23/88/42/1096238842.db2.gz GGKRMIDTSUDFKJ-UHFFFAOYSA-N 2 1 310.445 3.211 20 0 DGADMP COC/C(C)=C\C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001119734534 1096253130 /nfs/dbraw/zinc/25/31/30/1096253130.db2.gz HLCVVFPQULBGRJ-PWRJZBFZSA-N 2 1 316.489 3.325 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC001171314710 1096280459 /nfs/dbraw/zinc/28/04/59/1096280459.db2.gz FSNMWDATKSAUBS-PBFPGSCMSA-N 2 1 322.880 3.136 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC001171314710 1096280463 /nfs/dbraw/zinc/28/04/63/1096280463.db2.gz FSNMWDATKSAUBS-PBFPGSCMSA-N 2 1 322.880 3.136 20 0 DGADMP C[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832118 1096296414 /nfs/dbraw/zinc/29/64/14/1096296414.db2.gz TUTXXPLUXNDBDF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224832118 1096296420 /nfs/dbraw/zinc/29/64/20/1096296420.db2.gz TUTXXPLUXNDBDF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224832118 1096296429 /nfs/dbraw/zinc/29/64/29/1096296429.db2.gz TUTXXPLUXNDBDF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)(C)[NH+]1CC(OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830091 1096296579 /nfs/dbraw/zinc/29/65/79/1096296579.db2.gz MFPITCLAODEBET-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+]1CCC[C@@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001224830460 1096296839 /nfs/dbraw/zinc/29/68/39/1096296839.db2.gz OELPHBZHYNGRFT-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224830460 1096296847 /nfs/dbraw/zinc/29/68/47/1096296847.db2.gz OELPHBZHYNGRFT-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224830460 1096296856 /nfs/dbraw/zinc/29/68/56/1096296856.db2.gz OELPHBZHYNGRFT-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001224832967 1096297086 /nfs/dbraw/zinc/29/70/86/1096297086.db2.gz ZCMQQFVECWTWQP-JKSUJKDBSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224832967 1096297095 /nfs/dbraw/zinc/29/70/95/1096297095.db2.gz ZCMQQFVECWTWQP-JKSUJKDBSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224832967 1096297102 /nfs/dbraw/zinc/29/71/02/1096297102.db2.gz ZCMQQFVECWTWQP-JKSUJKDBSA-N 2 1 308.853 3.025 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC001224833111 1096297292 /nfs/dbraw/zinc/29/72/92/1096297292.db2.gz ZLPFGHKZXZGUJX-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001224833111 1096297301 /nfs/dbraw/zinc/29/73/01/1096297301.db2.gz ZLPFGHKZXZGUJX-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001224833111 1096297311 /nfs/dbraw/zinc/29/73/11/1096297311.db2.gz ZLPFGHKZXZGUJX-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171326841 1096336519 /nfs/dbraw/zinc/33/65/19/1096336519.db2.gz SDHAGGZXWJWPFW-AWEZNQCLSA-N 2 1 324.896 3.480 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171339105 1096453067 /nfs/dbraw/zinc/45/30/67/1096453067.db2.gz ZLXSBRFLGYWAFP-KRWDZBQOSA-N 2 1 316.395 3.283 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171339105 1096453073 /nfs/dbraw/zinc/45/30/73/1096453073.db2.gz ZLXSBRFLGYWAFP-KRWDZBQOSA-N 2 1 316.395 3.283 20 0 DGADMP Cc1cc(N2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cc[nH+]1 ZINC001277063891 1096503035 /nfs/dbraw/zinc/50/30/35/1096503035.db2.gz BAFLXSHMIVILRY-IBGZPJMESA-N 2 1 310.445 3.211 20 0 DGADMP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171353631 1096526676 /nfs/dbraw/zinc/52/66/76/1096526676.db2.gz IBYRISCFOVJQKD-MRXNPFEDSA-N 2 1 320.427 3.416 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226170363 1096629051 /nfs/dbraw/zinc/62/90/51/1096629051.db2.gz IYEKKAWEOKCRJR-KURKYZTESA-N 2 1 323.525 3.066 20 0 DGADMP COc1cc(F)c(C)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277128553 1096690623 /nfs/dbraw/zinc/69/06/23/1096690623.db2.gz OFSVZWHGTCEITE-UHFFFAOYSA-N 2 1 320.452 3.451 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001226614847 1096734458 /nfs/dbraw/zinc/73/44/58/1096734458.db2.gz UFCJMJLUDMVJET-KURKYZTESA-N 2 1 323.525 3.068 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4c(F)cccc4C3)C2)CC1 ZINC001171439464 1096804493 /nfs/dbraw/zinc/80/44/93/1096804493.db2.gz ZOUDHRNWPMVLAV-INIZCTEOSA-N 2 1 302.437 3.101 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171452128 1096880224 /nfs/dbraw/zinc/88/02/24/1096880224.db2.gz CGZNQECJYXNHDX-JONQDZQNSA-N 2 1 306.400 3.037 20 0 DGADMP Fc1cc2c(cc1F)C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171494662 1096899968 /nfs/dbraw/zinc/89/99/68/1096899968.db2.gz ARAXNADZUQXWIJ-OAHLLOKOSA-N 2 1 317.383 3.358 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc3nccn3c2)CC1(C)C ZINC001171628850 1096929950 /nfs/dbraw/zinc/92/99/50/1096929950.db2.gz JGNMAGNQEJDERJ-UHFFFAOYSA-N 2 1 300.450 3.075 20 0 DGADMP C[NH+]1C(C)(C)CC(NCc2[nH+]cn3ccccc23)CC1(C)C ZINC001171626946 1096938376 /nfs/dbraw/zinc/93/83/76/1096938376.db2.gz IFESZPAGXWKJCU-UHFFFAOYSA-N 2 1 300.450 3.075 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](COCC3CC3)C2)CC1(C)C ZINC001171642980 1096950798 /nfs/dbraw/zinc/95/07/98/1096950798.db2.gz OKJIFNIVRTVNNI-INIZCTEOSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@H]1C[C@@H](Nc2cccc(F)c2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727568 1096955125 /nfs/dbraw/zinc/95/51/25/1096955125.db2.gz WOVOGKDPZZNLEB-GOEBONIOSA-N 2 1 313.420 3.359 20 0 DGADMP C[C@H]1C[C@@H](Nc2ccc(CC[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171727267 1096956018 /nfs/dbraw/zinc/95/60/18/1096956018.db2.gz UHHJTBKAQOJGMF-OXJNMPFZSA-N 2 1 309.457 3.263 20 0 DGADMP C[C@H]1C[C@H](N(C)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171761092 1096965813 /nfs/dbraw/zinc/96/58/13/1096965813.db2.gz BTEQZXGWIIAEAN-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CCCN(CCC[NH+](C)C)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171765935 1096966169 /nfs/dbraw/zinc/96/61/69/1096966169.db2.gz AOXDYJICQVTPQZ-AZUAARDMSA-N 2 1 317.521 3.313 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001227669068 1096967233 /nfs/dbraw/zinc/96/72/33/1096967233.db2.gz LABZTTNFJBLIMT-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001171860743 1096992602 /nfs/dbraw/zinc/99/26/02/1096992602.db2.gz JHQMRXQOXDMMEC-DOTOQJQBSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962388 1097006127 /nfs/dbraw/zinc/00/61/27/1097006127.db2.gz CRLFWIIAPXLGGR-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171971498 1097021605 /nfs/dbraw/zinc/02/16/05/1097021605.db2.gz IRFAOTUDEMWOEN-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976523 1097024872 /nfs/dbraw/zinc/02/48/72/1097024872.db2.gz SJLYNQWFVAIHAZ-RTBURBONSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCC2COC2)CC[N@H+]1Cc1ccccc1 ZINC001171977448 1097025305 /nfs/dbraw/zinc/02/53/05/1097025305.db2.gz BEXYBRIYUNCGFL-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976925 1097025408 /nfs/dbraw/zinc/02/54/08/1097025408.db2.gz OOQAEHLPVLJIEK-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976925 1097025413 /nfs/dbraw/zinc/02/54/13/1097025413.db2.gz OOQAEHLPVLJIEK-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976925 1097025416 /nfs/dbraw/zinc/02/54/16/1097025416.db2.gz OOQAEHLPVLJIEK-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC001171976925 1097025421 /nfs/dbraw/zinc/02/54/21/1097025421.db2.gz OOQAEHLPVLJIEK-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CO[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978535 1097025527 /nfs/dbraw/zinc/02/55/27/1097025527.db2.gz ZEECMDPJLFDWAT-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978535 1097025531 /nfs/dbraw/zinc/02/55/31/1097025531.db2.gz ZEECMDPJLFDWAT-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978535 1097025535 /nfs/dbraw/zinc/02/55/35/1097025535.db2.gz ZEECMDPJLFDWAT-MSOLQXFVSA-N 2 1 302.462 3.150 20 0 DGADMP CN(CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978520 1097026714 /nfs/dbraw/zinc/02/67/14/1097026714.db2.gz YZNLYNZOVWHULR-IBGZPJMESA-N 2 1 317.521 3.313 20 0 DGADMP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980109 1097027292 /nfs/dbraw/zinc/02/72/92/1097027292.db2.gz PDECEDZDKVDOHX-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980109 1097027298 /nfs/dbraw/zinc/02/72/98/1097027298.db2.gz PDECEDZDKVDOHX-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980109 1097027303 /nfs/dbraw/zinc/02/73/03/1097027303.db2.gz PDECEDZDKVDOHX-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172079728 1097037770 /nfs/dbraw/zinc/03/77/70/1097037770.db2.gz QFADFPNIOPBHSA-BWTSREIZSA-N 2 1 314.473 3.029 20 0 DGADMP OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172079728 1097037776 /nfs/dbraw/zinc/03/77/76/1097037776.db2.gz QFADFPNIOPBHSA-BWTSREIZSA-N 2 1 314.473 3.029 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206155954 1097040846 /nfs/dbraw/zinc/04/08/46/1097040846.db2.gz NHMWMASGEDXLNB-KGLIPLIRSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206155954 1097040849 /nfs/dbraw/zinc/04/08/49/1097040849.db2.gz NHMWMASGEDXLNB-KGLIPLIRSA-N 2 1 304.331 3.009 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CCCOC2)C3)cc1 ZINC001172062310 1097042132 /nfs/dbraw/zinc/04/21/32/1097042132.db2.gz MDMMUPGOJWTFPV-LWYYNNOASA-N 2 1 314.473 3.341 20 0 DGADMP CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC001172061540 1097042440 /nfs/dbraw/zinc/04/24/40/1097042440.db2.gz HMMZVPTZYAOXAJ-REPLKXPHSA-N 2 1 314.473 3.198 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172100918 1097042475 /nfs/dbraw/zinc/04/24/75/1097042475.db2.gz VBEWDIUZUAISJF-MKXGPGLRSA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172100918 1097042482 /nfs/dbraw/zinc/04/24/82/1097042482.db2.gz VBEWDIUZUAISJF-MKXGPGLRSA-N 2 1 314.473 3.157 20 0 DGADMP c1cnn(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172062929 1097042917 /nfs/dbraw/zinc/04/29/17/1097042917.db2.gz SPGHKUNFZUBKPA-OWZKRDHZSA-N 2 1 324.472 3.058 20 0 DGADMP OCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172063534 1097042933 /nfs/dbraw/zinc/04/29/33/1097042933.db2.gz AJWRUSSPWWPYRN-LDLYASANSA-N 2 1 314.473 3.077 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CSC2)C3)cc1 ZINC001172066085 1097043598 /nfs/dbraw/zinc/04/35/98/1097043598.db2.gz TWWIWLVAMGAHHW-XGWQRUHWSA-N 2 1 302.487 3.277 20 0 DGADMP C[C@@H]1C[C@@H](O)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067439 1097043631 /nfs/dbraw/zinc/04/36/31/1097043631.db2.gz CNGAHAZLEHUXBC-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067439 1097043636 /nfs/dbraw/zinc/04/36/36/1097043636.db2.gz CNGAHAZLEHUXBC-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067439 1097043641 /nfs/dbraw/zinc/04/36/41/1097043641.db2.gz CNGAHAZLEHUXBC-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067439 1097043647 /nfs/dbraw/zinc/04/36/47/1097043647.db2.gz CNGAHAZLEHUXBC-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064556 1097044190 /nfs/dbraw/zinc/04/41/90/1097044190.db2.gz HHFYLZPLWDVZAD-KNJMJIDISA-N 2 1 314.473 3.075 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172131635 1097050395 /nfs/dbraw/zinc/05/03/95/1097050395.db2.gz XTIWIIJHEVHEPH-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131635 1097050399 /nfs/dbraw/zinc/05/03/99/1097050399.db2.gz XTIWIIJHEVHEPH-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131635 1097050404 /nfs/dbraw/zinc/05/04/04/1097050404.db2.gz XTIWIIJHEVHEPH-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172131635 1097050409 /nfs/dbraw/zinc/05/04/09/1097050409.db2.gz XTIWIIJHEVHEPH-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172131635 1097050412 /nfs/dbraw/zinc/05/04/12/1097050412.db2.gz XTIWIIJHEVHEPH-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3c3c1C[C@H]([NH3+])C3)C2 ZINC001172104349 1097052623 /nfs/dbraw/zinc/05/26/23/1097052623.db2.gz BRELAMMRBVETRL-WCVJEAGWSA-N 2 1 309.457 3.255 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1cccc(Cl)c1)C2 ZINC001172104119 1097053230 /nfs/dbraw/zinc/05/32/30/1097053230.db2.gz ZTIYJUHXGAVBME-MUJYYYPQSA-N 2 1 308.853 3.324 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172103413 1097053353 /nfs/dbraw/zinc/05/33/53/1097053353.db2.gz UJFCKKZEXYSORC-QSPRXWTASA-N 2 1 318.461 3.370 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172103413 1097053359 /nfs/dbraw/zinc/05/33/59/1097053359.db2.gz UJFCKKZEXYSORC-QSPRXWTASA-N 2 1 318.461 3.370 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(N(C)C)c1 ZINC001172108543 1097055025 /nfs/dbraw/zinc/05/50/25/1097055025.db2.gz BCEDERUKPHELDF-WQCNXYOZSA-N 2 1 301.478 3.419 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(N(C)C)c1 ZINC001172108543 1097055029 /nfs/dbraw/zinc/05/50/29/1097055029.db2.gz BCEDERUKPHELDF-WQCNXYOZSA-N 2 1 301.478 3.419 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172110119 1097056088 /nfs/dbraw/zinc/05/60/88/1097056088.db2.gz KUSCDHGYMBAEEJ-DDBAPUKQSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172110119 1097056093 /nfs/dbraw/zinc/05/60/93/1097056093.db2.gz KUSCDHGYMBAEEJ-DDBAPUKQSA-N 2 1 302.462 3.231 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110554 1097056430 /nfs/dbraw/zinc/05/64/30/1097056430.db2.gz OKBRQSHCPQCBSZ-VWPFQQQWSA-N 2 1 322.399 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110554 1097056436 /nfs/dbraw/zinc/05/64/36/1097056436.db2.gz OKBRQSHCPQCBSZ-VWPFQQQWSA-N 2 1 322.399 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(C(N)=[NH2+])c1ccc(Cl)cc1)C2 ZINC001172112698 1097059039 /nfs/dbraw/zinc/05/90/39/1097059039.db2.gz ZMFZBWQPWCMZHO-QDMKHBRRSA-N 2 1 306.841 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1cccnc1)C2 ZINC001172112133 1097059284 /nfs/dbraw/zinc/05/92/84/1097059284.db2.gz RXTMEJVSKDLWMF-NNZMDNLPSA-N 2 1 301.478 3.255 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112573 1097059993 /nfs/dbraw/zinc/05/99/93/1097059993.db2.gz XXJBGIFNUXPDBL-AKHDSKFASA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112573 1097059998 /nfs/dbraw/zinc/05/99/98/1097059998.db2.gz XXJBGIFNUXPDBL-AKHDSKFASA-N 2 1 302.437 3.288 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206157341 1097061782 /nfs/dbraw/zinc/06/17/82/1097061782.db2.gz YBUVAEWNUOFFDW-CABCVRRESA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC001206157341 1097061788 /nfs/dbraw/zinc/06/17/88/1097061788.db2.gz YBUVAEWNUOFFDW-CABCVRRESA-N 2 1 318.358 3.399 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113982 1097062270 /nfs/dbraw/zinc/06/22/70/1097062270.db2.gz NGYLHXRUVUNIMG-QQTVYSQJSA-N 3 1 307.526 3.244 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113982 1097062276 /nfs/dbraw/zinc/06/22/76/1097062276.db2.gz NGYLHXRUVUNIMG-QQTVYSQJSA-N 3 1 307.526 3.244 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@](CF)(C(F)(F)F)C1)C2 ZINC001172122319 1097064652 /nfs/dbraw/zinc/06/46/52/1097064652.db2.gz ZXGCLNSBMUYPBJ-ZOBORPQBSA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@](CF)(C(F)(F)F)C1)C2 ZINC001172122319 1097064660 /nfs/dbraw/zinc/06/46/60/1097064660.db2.gz ZXGCLNSBMUYPBJ-ZOBORPQBSA-N 2 1 308.363 3.226 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@](CF)(C(F)(F)F)C1)C2 ZINC001172122319 1097064665 /nfs/dbraw/zinc/06/46/65/1097064665.db2.gz ZXGCLNSBMUYPBJ-ZOBORPQBSA-N 2 1 308.363 3.226 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCC2 ZINC001172122440 1097066724 /nfs/dbraw/zinc/06/67/24/1097066724.db2.gz BBMRNRCZNHRYGM-BWTSREIZSA-N 2 1 314.473 3.459 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172122440 1097066727 /nfs/dbraw/zinc/06/67/27/1097066727.db2.gz BBMRNRCZNHRYGM-BWTSREIZSA-N 2 1 314.473 3.459 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172122440 1097066730 /nfs/dbraw/zinc/06/67/30/1097066730.db2.gz BBMRNRCZNHRYGM-BWTSREIZSA-N 2 1 314.473 3.459 20 0 DGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235140 1097082213 /nfs/dbraw/zinc/08/22/13/1097082213.db2.gz CVUUPYKUYDQJSJ-GOOCMWNKSA-N 2 1 318.848 3.076 20 0 DGADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172243624 1097089708 /nfs/dbraw/zinc/08/97/08/1097089708.db2.gz XREJBPLGHJIZBB-YQQQUEKLSA-N 2 1 304.478 3.201 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC001172255205 1097092423 /nfs/dbraw/zinc/09/24/23/1097092423.db2.gz JSFOVPRDMVBBJF-UHFFFAOYSA-N 2 1 310.869 3.273 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC001172255205 1097092430 /nfs/dbraw/zinc/09/24/30/1097092430.db2.gz JSFOVPRDMVBBJF-UHFFFAOYSA-N 2 1 310.869 3.273 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC001172253272 1097092843 /nfs/dbraw/zinc/09/28/43/1097092843.db2.gz JDNRNKZUDJFDCW-INIZCTEOSA-N 2 1 320.477 3.189 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC001172253272 1097092849 /nfs/dbraw/zinc/09/28/49/1097092849.db2.gz JDNRNKZUDJFDCW-INIZCTEOSA-N 2 1 320.477 3.189 20 0 DGADMP CCOCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172433495 1097140236 /nfs/dbraw/zinc/14/02/36/1097140236.db2.gz QKEXBQMFXRULNE-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172433495 1097140240 /nfs/dbraw/zinc/14/02/40/1097140240.db2.gz QKEXBQMFXRULNE-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172433495 1097140244 /nfs/dbraw/zinc/14/02/44/1097140244.db2.gz QKEXBQMFXRULNE-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172400714 1097144871 /nfs/dbraw/zinc/14/48/71/1097144871.db2.gz VVBSIBPRKUWOMX-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP CC[C@@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172400714 1097144874 /nfs/dbraw/zinc/14/48/74/1097144874.db2.gz VVBSIBPRKUWOMX-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001172400714 1097144878 /nfs/dbraw/zinc/14/48/78/1097144878.db2.gz VVBSIBPRKUWOMX-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001172400714 1097144881 /nfs/dbraw/zinc/14/48/81/1097144881.db2.gz VVBSIBPRKUWOMX-INIZCTEOSA-N 2 1 306.498 3.364 20 0 DGADMP Cc1ccc[nH+]c1N([C@H](C)CCOCC(C)C)C1CC[NH2+]CC1 ZINC001172479623 1097149534 /nfs/dbraw/zinc/14/95/34/1097149534.db2.gz KTMMTSQAUVPTTF-QGZVFWFLSA-N 2 1 319.493 3.400 20 0 DGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172460045 1097161571 /nfs/dbraw/zinc/16/15/71/1097161571.db2.gz DESWWLGDERBTMF-IJXRJRJASA-N 2 1 316.489 3.158 20 0 DGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172460045 1097161573 /nfs/dbraw/zinc/16/15/73/1097161573.db2.gz DESWWLGDERBTMF-IJXRJRJASA-N 2 1 316.489 3.158 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172575153 1097185199 /nfs/dbraw/zinc/18/51/99/1097185199.db2.gz HRPJVTFDROXXMH-NWDGAFQWSA-N 2 1 316.823 3.481 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)c(C(F)(F)F)c3)[C@@H]2C1 ZINC001204089301 1097186065 /nfs/dbraw/zinc/18/60/65/1097186065.db2.gz LYLMJBXYSQULKF-ZOWXZIJZSA-N 2 1 316.342 3.274 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([NH2+]C[C@H](C[NH3+])C(=O)OC)CC2)CC1 ZINC001172585781 1097197983 /nfs/dbraw/zinc/19/79/83/1097197983.db2.gz FZGZARGRMYWVJA-IBRUTMJSSA-N 2 1 324.509 3.099 20 0 DGADMP CC[C@@H](c1cccc(OC2C[NH+](CC)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228898454 1097213824 /nfs/dbraw/zinc/21/38/24/1097213824.db2.gz IPAPTBKWSOKDKT-HNAYVOBHSA-N 2 1 304.478 3.461 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172746318 1097223783 /nfs/dbraw/zinc/22/37/83/1097223783.db2.gz NZFDDVHZWFOSDK-DLBZAZTESA-N 2 1 320.477 3.204 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172858484 1097264397 /nfs/dbraw/zinc/26/43/97/1097264397.db2.gz WMRUSTLDVAQJDW-GFCCVEGCSA-N 2 1 307.800 3.165 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172858484 1097264399 /nfs/dbraw/zinc/26/43/99/1097264399.db2.gz WMRUSTLDVAQJDW-GFCCVEGCSA-N 2 1 307.800 3.165 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939195 1097287107 /nfs/dbraw/zinc/28/71/07/1097287107.db2.gz QAOXWOJHAGEVHM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939195 1097287115 /nfs/dbraw/zinc/28/71/15/1097287115.db2.gz QAOXWOJHAGEVHM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939195 1097287117 /nfs/dbraw/zinc/28/71/17/1097287117.db2.gz QAOXWOJHAGEVHM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939195 1097287124 /nfs/dbraw/zinc/28/71/24/1097287124.db2.gz QAOXWOJHAGEVHM-YYIAUSFCSA-N 2 1 320.502 3.069 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)n1c[nH+]cc1CC[NH3+] ZINC001173081716 1097326146 /nfs/dbraw/zinc/32/61/46/1097326146.db2.gz GBFKPDJIFDSRFG-NSHDSACASA-N 2 1 313.323 3.087 20 0 DGADMP CCOC(=O)[C@@H](CC1CCC1)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173106726 1097330781 /nfs/dbraw/zinc/33/07/81/1097330781.db2.gz CERBKXQISMCGDG-DAWZGUTISA-N 2 1 324.509 3.351 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001173108610 1097331881 /nfs/dbraw/zinc/33/18/81/1097331881.db2.gz PEBWJPIWBQNCOQ-ZGUYJTEBSA-N 2 1 306.494 3.473 20 0 DGADMP CC[NH+](CC)C1CCC(N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001173112252 1097333025 /nfs/dbraw/zinc/33/30/25/1097333025.db2.gz YYPLZNJBCZYOIH-UHFFFAOYSA-N 2 1 319.537 3.057 20 0 DGADMP CC[NH+](CC)C1CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001173112252 1097333030 /nfs/dbraw/zinc/33/30/30/1097333030.db2.gz YYPLZNJBCZYOIH-UHFFFAOYSA-N 3 1 319.537 3.057 20 0 DGADMP CC[NH+](CC)C1CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001173112252 1097333035 /nfs/dbraw/zinc/33/30/35/1097333035.db2.gz YYPLZNJBCZYOIH-UHFFFAOYSA-N 3 1 319.537 3.057 20 0 DGADMP CCCCC[NH+]1CCN(C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173111591 1097333198 /nfs/dbraw/zinc/33/31/98/1097333198.db2.gz HXLHYNQIPAOPMU-UHFFFAOYSA-N 2 1 309.542 3.447 20 0 DGADMP [NH3+]CCCC[NH+]1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173118423 1097334143 /nfs/dbraw/zinc/33/41/43/1097334143.db2.gz VYWLCVGELGLTSC-UHFFFAOYSA-N 2 1 307.526 3.236 20 0 DGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC2(CCCCC2)CC1 ZINC001173116276 1097334165 /nfs/dbraw/zinc/33/41/65/1097334165.db2.gz PFIPJHIJMOZLLC-UHFFFAOYSA-N 3 1 309.542 3.482 20 0 DGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC2(CCCCC2)CC1 ZINC001173116276 1097334171 /nfs/dbraw/zinc/33/41/71/1097334171.db2.gz PFIPJHIJMOZLLC-UHFFFAOYSA-N 3 1 309.542 3.482 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001173128774 1097337389 /nfs/dbraw/zinc/33/73/89/1097337389.db2.gz JPNVXPFXKHTLHA-HOCLYGCPSA-N 2 1 315.486 3.097 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC001173168726 1097363436 /nfs/dbraw/zinc/36/34/36/1097363436.db2.gz YNXPFFZQYDGURJ-CJSSEVFESA-N 2 1 314.473 3.054 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001173267246 1097389895 /nfs/dbraw/zinc/38/98/95/1097389895.db2.gz QRVHZVWDDVKUFS-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CCSC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173303431 1097404796 /nfs/dbraw/zinc/40/47/96/1097404796.db2.gz HXYBMURGDKULIT-LSDHHAIUSA-N 2 1 314.539 3.140 20 0 DGADMP CC[N@H+]1CC[C@@H](N[C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)C1 ZINC001173356605 1097431693 /nfs/dbraw/zinc/43/16/93/1097431693.db2.gz GCMSWGSDPPZPRY-HSALFYBXSA-N 2 1 309.457 3.112 20 0 DGADMP CC[N@H+]1CC[C@H](n2c3ccc(Cl)cc3c3c2CC[NH2+]C3)C1 ZINC001173364366 1097432323 /nfs/dbraw/zinc/43/23/23/1097432323.db2.gz VOPFJJAKTAHWDP-ZDUSSCGKSA-N 2 1 303.837 3.207 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCCCC(=O)OC)CC1 ZINC001173460379 1097453184 /nfs/dbraw/zinc/45/31/84/1097453184.db2.gz WYFJEBHTAFMUHH-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP CC[C@H](C)c1nn(C)cc1CN1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277451453 1097465443 /nfs/dbraw/zinc/46/54/43/1097465443.db2.gz BFDGUPLCHROFTP-LPHOPBHVSA-N 2 1 318.509 3.241 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632405 1097479934 /nfs/dbraw/zinc/47/99/34/1097479934.db2.gz LYCPYOBBQANIMC-XLAORIBOSA-N 2 1 324.509 3.336 20 0 DGADMP c1cn(CC[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001277544968 1097798596 /nfs/dbraw/zinc/79/85/96/1097798596.db2.gz WAGRREKOHNNPEA-UHFFFAOYSA-N 2 1 316.493 3.004 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001231735299 1097826863 /nfs/dbraw/zinc/82/68/63/1097826863.db2.gz LZXFKAQFAJDSPD-UHFFFAOYSA-N 2 1 308.853 3.353 20 0 DGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001174805467 1097857916 /nfs/dbraw/zinc/85/79/16/1097857916.db2.gz RTSLXRDCYUBKKE-WIJVFFIESA-N 2 1 323.525 3.092 20 0 DGADMP Cn1c2ccccc2[nH+]c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174813345 1097860978 /nfs/dbraw/zinc/86/09/78/1097860978.db2.gz YCFAINHILDXAKT-UHFFFAOYSA-N 2 1 321.428 3.069 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)c[nH]c21 ZINC001231898083 1097884170 /nfs/dbraw/zinc/88/41/70/1097884170.db2.gz FDXLKHBLRKVLTK-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP c1[nH]nc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc12 ZINC001231906837 1097888700 /nfs/dbraw/zinc/88/87/00/1097888700.db2.gz HPUWSSRZXISOIF-GOSISDBHSA-N 2 1 312.461 3.403 20 0 DGADMP CN(Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232011934 1097917040 /nfs/dbraw/zinc/91/70/40/1097917040.db2.gz PYKRCDDWAXCRJT-LJQANCHMSA-N 2 1 320.440 3.269 20 0 DGADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001232011934 1097917042 /nfs/dbraw/zinc/91/70/42/1097917042.db2.gz PYKRCDDWAXCRJT-LJQANCHMSA-N 2 1 320.440 3.269 20 0 DGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001232011934 1097917043 /nfs/dbraw/zinc/91/70/43/1097917043.db2.gz PYKRCDDWAXCRJT-LJQANCHMSA-N 2 1 320.440 3.269 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001232071573 1097930604 /nfs/dbraw/zinc/93/06/04/1097930604.db2.gz JIMDZPCJNXESEA-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP COc1c(C)cnc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1C ZINC001277614473 1097940765 /nfs/dbraw/zinc/94/07/65/1097940765.db2.gz ZQQNOJFMMLWOPK-LJQANCHMSA-N 2 1 317.477 3.015 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1C ZINC001277614473 1097940773 /nfs/dbraw/zinc/94/07/73/1097940773.db2.gz ZQQNOJFMMLWOPK-LJQANCHMSA-N 2 1 317.477 3.015 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1C ZINC001277614473 1097940782 /nfs/dbraw/zinc/94/07/82/1097940782.db2.gz ZQQNOJFMMLWOPK-LJQANCHMSA-N 2 1 317.477 3.015 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CC2CC(F)(F)C2)c1 ZINC001232146606 1097950423 /nfs/dbraw/zinc/95/04/23/1097950423.db2.gz VRJDNBCUHGXICC-UHFFFAOYSA-N 2 1 300.368 3.364 20 0 DGADMP Cc1ncccc1C[N@@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232149972 1097951522 /nfs/dbraw/zinc/95/15/22/1097951522.db2.gz RBOBLUNOUVEIMY-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP Cc1ncccc1C[N@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232149972 1097951528 /nfs/dbraw/zinc/95/15/28/1097951528.db2.gz RBOBLUNOUVEIMY-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001232468906 1098047959 /nfs/dbraw/zinc/04/79/59/1098047959.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001232468906 1098047964 /nfs/dbraw/zinc/04/79/64/1098047964.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001232468906 1098047971 /nfs/dbraw/zinc/04/79/71/1098047971.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468906 1098047977 /nfs/dbraw/zinc/04/79/77/1098047977.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468906 1098047984 /nfs/dbraw/zinc/04/79/84/1098047984.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468906 1098047989 /nfs/dbraw/zinc/04/79/89/1098047989.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001232468906 1098047995 /nfs/dbraw/zinc/04/79/95/1098047995.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 2 1 324.472 3.062 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nc3ccccc3o2)CC1 ZINC001232558885 1098077921 /nfs/dbraw/zinc/07/79/21/1098077921.db2.gz IRBXSAXYITXPDK-UHFFFAOYSA-N 2 1 301.434 3.380 20 0 DGADMP OCCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001232778067 1098131431 /nfs/dbraw/zinc/13/14/31/1098131431.db2.gz RTJWCKUKEWKFSI-HXUWFJFHSA-N 2 1 316.489 3.062 20 0 DGADMP C[N@@H+]1C[C@H]2CN(Cc3cccc(SC(F)(F)F)c3)C[C@H]2C1 ZINC001232948341 1098180434 /nfs/dbraw/zinc/18/04/34/1098180434.db2.gz VCTALFBXRWYZBK-BETUJISGSA-N 2 1 316.392 3.292 20 0 DGADMP COc1c(O)cccc1CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001233257386 1098266475 /nfs/dbraw/zinc/26/64/75/1098266475.db2.gz FDCCCFROHADEHV-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001233257386 1098266482 /nfs/dbraw/zinc/26/64/82/1098266482.db2.gz FDCCCFROHADEHV-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001233257386 1098266488 /nfs/dbraw/zinc/26/64/88/1098266488.db2.gz FDCCCFROHADEHV-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001233257386 1098266493 /nfs/dbraw/zinc/26/64/93/1098266493.db2.gz FDCCCFROHADEHV-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP COc1c(O)cccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001233257386 1098266500 /nfs/dbraw/zinc/26/65/00/1098266500.db2.gz FDCCCFROHADEHV-IRXDYDNUSA-N 2 1 318.461 3.240 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001177158067 1098485629 /nfs/dbraw/zinc/48/56/29/1098485629.db2.gz RAQQNZLAOMLWPO-UHFFFAOYSA-N 2 1 306.498 3.217 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001177231569 1098498792 /nfs/dbraw/zinc/49/87/92/1098498792.db2.gz VVKYJKJAQMTEPR-PKOBYXMFSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001177231569 1098498794 /nfs/dbraw/zinc/49/87/94/1098498794.db2.gz VVKYJKJAQMTEPR-PKOBYXMFSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001177231569 1098498797 /nfs/dbraw/zinc/49/87/97/1098498797.db2.gz VVKYJKJAQMTEPR-PKOBYXMFSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn3ccccc3n2)C1 ZINC001177290734 1098504450 /nfs/dbraw/zinc/50/44/50/1098504450.db2.gz VNTCSSONHPPNFT-CALCHBBNSA-N 2 1 314.477 3.182 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC001177298414 1098506510 /nfs/dbraw/zinc/50/65/10/1098506510.db2.gz BNTXPLJNHXXHSC-MRXNPFEDSA-N 2 1 314.477 3.318 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001177541731 1098553228 /nfs/dbraw/zinc/55/32/28/1098553228.db2.gz AOXTWIKSRCWYJY-INIZCTEOSA-N 2 1 306.498 3.076 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001177541731 1098553232 /nfs/dbraw/zinc/55/32/32/1098553232.db2.gz AOXTWIKSRCWYJY-INIZCTEOSA-N 2 1 306.498 3.076 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206309086 1098577885 /nfs/dbraw/zinc/57/78/85/1098577885.db2.gz KNVICWVOSVALLJ-INIZCTEOSA-N 2 1 308.853 3.027 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001206310817 1098667140 /nfs/dbraw/zinc/66/71/40/1098667140.db2.gz CWEIDJVCJSQGJE-ZDUSSCGKSA-N 2 1 317.296 3.462 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001234991606 1098736512 /nfs/dbraw/zinc/73/65/12/1098736512.db2.gz HIIZZYCLRWYKNS-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001234991606 1098736519 /nfs/dbraw/zinc/73/65/19/1098736519.db2.gz HIIZZYCLRWYKNS-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001206319200 1098739075 /nfs/dbraw/zinc/73/90/75/1098739075.db2.gz ZRRRIAUPIYKATK-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001234995093 1098739497 /nfs/dbraw/zinc/73/94/97/1098739497.db2.gz XLBCDSQCDXEKFH-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001234995093 1098739503 /nfs/dbraw/zinc/73/95/03/1098739503.db2.gz XLBCDSQCDXEKFH-IBGZPJMESA-N 2 1 313.445 3.142 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC001235001876 1098744431 /nfs/dbraw/zinc/74/44/31/1098744431.db2.gz WEJPNOVWVUJENF-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC001235001876 1098744445 /nfs/dbraw/zinc/74/44/45/1098744445.db2.gz WEJPNOVWVUJENF-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001235006359 1098747837 /nfs/dbraw/zinc/74/78/37/1098747837.db2.gz IAOLUVVWIGOQHY-NRFANRHFSA-N 2 1 324.468 3.350 20 0 DGADMP c1ccc(CCCCC[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008225 1098749410 /nfs/dbraw/zinc/74/94/10/1098749410.db2.gz SLTHUEZEBMPAAI-FQEVSTJZSA-N 2 1 316.489 3.101 20 0 DGADMP Cc1ncc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001178244638 1098752426 /nfs/dbraw/zinc/75/24/26/1098752426.db2.gz RELZUJKJOVYILM-UHFFFAOYSA-N 2 1 315.486 3.248 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023924 1098754108 /nfs/dbraw/zinc/75/41/08/1098754108.db2.gz FXSVGNVMPCFVKI-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023924 1098754120 /nfs/dbraw/zinc/75/41/20/1098754120.db2.gz FXSVGNVMPCFVKI-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C[C@@H]2C1 ZINC001235033609 1098762378 /nfs/dbraw/zinc/76/23/78/1098762378.db2.gz WTBREIXHVHUHQK-CVEARBPZSA-N 2 1 313.420 3.204 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235036313 1098764598 /nfs/dbraw/zinc/76/45/98/1098764598.db2.gz LOKOLRWVFBZNCQ-IBGZPJMESA-N 2 1 302.462 3.276 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)cc21 ZINC001235037543 1098766409 /nfs/dbraw/zinc/76/64/09/1098766409.db2.gz HSPKTTNJZJLGJN-FQEVSTJZSA-N 2 1 313.489 3.177 20 0 DGADMP Cc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1OC(C)C ZINC001235091476 1098794173 /nfs/dbraw/zinc/79/41/73/1098794173.db2.gz CTNFHTDIUQYLPV-UHFFFAOYSA-N 2 1 302.462 3.358 20 0 DGADMP COc1ccc(CCC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235151313 1098836812 /nfs/dbraw/zinc/83/68/12/1098836812.db2.gz FYNYDNOUPYZMFM-HXUWFJFHSA-N 2 1 316.489 3.482 20 0 DGADMP Oc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC001235152164 1098837056 /nfs/dbraw/zinc/83/70/56/1098837056.db2.gz DBSBRSQBHUDLRU-KRWDZBQOSA-N 2 1 308.853 3.400 20 0 DGADMP COc1ccccc1CC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151268 1098837192 /nfs/dbraw/zinc/83/71/92/1098837192.db2.gz FHILVHAJAWIPOX-SFHVURJKSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235154391 1098839578 /nfs/dbraw/zinc/83/95/78/1098839578.db2.gz LJEOSXAVZQOATL-SFHVURJKSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ncc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1C ZINC001235155345 1098842387 /nfs/dbraw/zinc/84/23/87/1098842387.db2.gz CUAUXCHVXAYDPA-SFHVURJKSA-N 2 1 317.477 3.143 20 0 DGADMP COc1c(F)ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235162885 1098847541 /nfs/dbraw/zinc/84/75/41/1098847541.db2.gz XVDHMBVMMQJPMT-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001235183603 1098862503 /nfs/dbraw/zinc/86/25/03/1098862503.db2.gz BYBYFPBGVDWPFX-UXHICEINSA-N 2 1 322.452 3.404 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193560 1098871135 /nfs/dbraw/zinc/87/11/35/1098871135.db2.gz PAOLWGOWYXPTEU-HUUCEWRRSA-N 2 1 312.379 3.179 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc(C)c1OCc1ccccc1 ZINC001235209611 1098878329 /nfs/dbraw/zinc/87/83/29/1098878329.db2.gz DJZUPAVDMGDWMZ-PMOLBWCYSA-N 2 1 322.452 3.271 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206336899 1098889962 /nfs/dbraw/zinc/88/99/62/1098889962.db2.gz OWFVSOAQOZHYJC-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC1 ZINC001235225452 1098897484 /nfs/dbraw/zinc/89/74/84/1098897484.db2.gz UISVGAMYGXFBEB-XGUBFFRZSA-N 2 1 302.384 3.063 20 0 DGADMP Fc1c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccnc1Cl ZINC001235228274 1098900967 /nfs/dbraw/zinc/90/09/67/1098900967.db2.gz LAXSPXQXHOJMQB-CQSZACIVSA-N 2 1 311.832 3.228 20 0 DGADMP Fc1ccc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235226951 1098901492 /nfs/dbraw/zinc/90/14/92/1098901492.db2.gz CRARCURMUSWKRF-INIZCTEOSA-N 2 1 312.379 3.458 20 0 DGADMP Fc1cc(F)c(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235229976 1098903171 /nfs/dbraw/zinc/90/31/71/1098903171.db2.gz MUUHBDGYIAHSGL-MRXNPFEDSA-N 2 1 312.379 3.458 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235230127 1098903624 /nfs/dbraw/zinc/90/36/24/1098903624.db2.gz JHFSIVZRKAAVBL-ZFWWWQNUSA-N 2 1 310.319 3.017 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235230127 1098903636 /nfs/dbraw/zinc/90/36/36/1098903636.db2.gz JHFSIVZRKAAVBL-ZFWWWQNUSA-N 2 1 310.319 3.017 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235246561 1098919912 /nfs/dbraw/zinc/91/99/12/1098919912.db2.gz ZLSKGYRHGIHNKE-IEBWSBKVSA-N 2 1 318.461 3.071 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235246561 1098919918 /nfs/dbraw/zinc/91/99/18/1098919918.db2.gz ZLSKGYRHGIHNKE-IEBWSBKVSA-N 2 1 318.461 3.071 20 0 DGADMP CNc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235254239 1098925784 /nfs/dbraw/zinc/92/57/84/1098925784.db2.gz PHLRPCWQTJACFH-NHCUHLMSSA-N 2 1 321.468 3.450 20 0 DGADMP CNc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235254239 1098925792 /nfs/dbraw/zinc/92/57/92/1098925792.db2.gz PHLRPCWQTJACFH-NHCUHLMSSA-N 2 1 321.468 3.450 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235261527 1098932553 /nfs/dbraw/zinc/93/25/53/1098932553.db2.gz ITGVPNGTEBDFPT-VQIMIIECSA-N 2 1 302.462 3.274 20 0 DGADMP c1ccc(CCc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235264491 1098935317 /nfs/dbraw/zinc/93/53/17/1098935317.db2.gz YJJSARLCLRPZGE-NHCUHLMSSA-N 2 1 306.453 3.266 20 0 DGADMP c1ccc(CCc2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235264491 1098935326 /nfs/dbraw/zinc/93/53/26/1098935326.db2.gz YJJSARLCLRPZGE-NHCUHLMSSA-N 2 1 306.453 3.266 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)c1O ZINC001235283275 1098941705 /nfs/dbraw/zinc/94/17/05/1098941705.db2.gz FLTGHOSITPVDSM-XOIINTDNSA-N 2 1 316.489 3.376 20 0 DGADMP CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)c1O ZINC001235283275 1098941712 /nfs/dbraw/zinc/94/17/12/1098941712.db2.gz FLTGHOSITPVDSM-XOIINTDNSA-N 2 1 316.489 3.376 20 0 DGADMP Fc1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341196 1098964814 /nfs/dbraw/zinc/96/48/14/1098964814.db2.gz PAGXENGLEKUXSY-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP Fc1cc(Cl)cc(Cl)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341196 1098964825 /nfs/dbraw/zinc/96/48/25/1098964825.db2.gz PAGXENGLEKUXSY-SECBINFHSA-N 2 1 303.208 3.174 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235340099 1098965144 /nfs/dbraw/zinc/96/51/44/1098965144.db2.gz HLUGTWOXXRHCQM-FQEVSTJZSA-N 2 1 306.453 3.319 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235340054 1098965281 /nfs/dbraw/zinc/96/52/81/1098965281.db2.gz HBCQYLVUAANCSX-AWEZNQCLSA-N 2 1 315.848 3.172 20 0 DGADMP Fc1cc(Cl)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235340582 1098965342 /nfs/dbraw/zinc/96/53/42/1098965342.db2.gz KSCHDOPBPGQEOP-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(C)cc1Br ZINC001235342451 1098966208 /nfs/dbraw/zinc/96/62/08/1098966208.db2.gz VWABFMMCHNKTKQ-ZDUSSCGKSA-N 2 1 323.278 3.107 20 0 DGADMP Fc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342995 1098966908 /nfs/dbraw/zinc/96/69/08/1098966908.db2.gz ZHAGUFKMOFZUGT-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP Fc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342995 1098966916 /nfs/dbraw/zinc/96/69/16/1098966916.db2.gz ZHAGUFKMOFZUGT-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235350970 1098972243 /nfs/dbraw/zinc/97/22/43/1098972243.db2.gz MIJYLKODTLJFOM-NHCUHLMSSA-N 2 1 322.452 3.274 20 0 DGADMP Cc1cc(O)cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235354808 1098974743 /nfs/dbraw/zinc/97/47/43/1098974743.db2.gz IPKZYRLYVJUTRH-NHCUHLMSSA-N 2 1 322.452 3.280 20 0 DGADMP Cc1cc(O)cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235354808 1098974747 /nfs/dbraw/zinc/97/47/47/1098974747.db2.gz IPKZYRLYVJUTRH-NHCUHLMSSA-N 2 1 322.452 3.280 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235366267 1098983548 /nfs/dbraw/zinc/98/35/48/1098983548.db2.gz QRMXTWQQHOVRAL-TZIWHRDSSA-N 2 1 322.452 3.145 20 0 DGADMP C[N@@H+](CCc1c(Cl)cccc1Cl)CC1CC[NH2+]CC1 ZINC001235433643 1099032228 /nfs/dbraw/zinc/03/22/28/1099032228.db2.gz PVPWAQQMUJXKEX-UHFFFAOYSA-N 2 1 301.261 3.467 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1CC ZINC001235400065 1098994773 /nfs/dbraw/zinc/99/47/73/1098994773.db2.gz CFODDYBWUXICCE-RTBURBONSA-N 2 1 320.452 3.171 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1CC ZINC001235400065 1098994781 /nfs/dbraw/zinc/99/47/81/1098994781.db2.gz CFODDYBWUXICCE-RTBURBONSA-N 2 1 320.452 3.171 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1CC ZINC001235400064 1098995603 /nfs/dbraw/zinc/99/56/03/1098995603.db2.gz CFODDYBWUXICCE-RBUKOAKNSA-N 2 1 320.452 3.171 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1CC ZINC001235400064 1098995609 /nfs/dbraw/zinc/99/56/09/1098995609.db2.gz CFODDYBWUXICCE-RBUKOAKNSA-N 2 1 320.452 3.171 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401519 1098996706 /nfs/dbraw/zinc/99/67/06/1098996706.db2.gz GWDPDLCEELUMFX-MOPGFXCFSA-N 2 1 304.453 3.409 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401022 1098997960 /nfs/dbraw/zinc/99/79/60/1098997960.db2.gz FRLIYBSENKWERG-MOPGFXCFSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235401022 1098997966 /nfs/dbraw/zinc/99/79/66/1098997966.db2.gz FRLIYBSENKWERG-MOPGFXCFSA-N 2 1 320.452 3.306 20 0 DGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403036 1098999128 /nfs/dbraw/zinc/99/91/28/1098999128.db2.gz ZDELFLTZYHEUTD-IAGOWNOFSA-N 2 1 308.466 3.240 20 0 DGADMP CSc1cc(C)cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403036 1098999136 /nfs/dbraw/zinc/99/91/36/1098999136.db2.gz ZDELFLTZYHEUTD-IAGOWNOFSA-N 2 1 308.466 3.240 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001235403228 1098999931 /nfs/dbraw/zinc/99/99/31/1098999931.db2.gz KUGUTCRYJFQGJX-MOPGFXCFSA-N 2 1 313.420 3.001 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001235403234 1099000330 /nfs/dbraw/zinc/00/03/30/1099000330.db2.gz KUGUTCRYJFQGJX-OALUTQOASA-N 2 1 313.420 3.001 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001235406098 1099000615 /nfs/dbraw/zinc/00/06/15/1099000615.db2.gz PUXFHDKSPJYVRG-DLBZAZTESA-N 2 1 304.434 3.425 20 0 DGADMP CCc1cccc2c(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)c[nH]c21 ZINC001235404033 1099002033 /nfs/dbraw/zinc/00/20/33/1099002033.db2.gz MAIYWGCFDQZTTC-HKUYNNGSSA-N 2 1 315.436 3.254 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CCCO2 ZINC001235421056 1099013139 /nfs/dbraw/zinc/01/31/39/1099013139.db2.gz AVQIGXBOGKLOHY-MOPGFXCFSA-N 2 1 314.473 3.223 20 0 DGADMP c1cn(-c2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC001235421738 1099013689 /nfs/dbraw/zinc/01/36/89/1099013689.db2.gz BZLKQZXYOUJXGU-OALUTQOASA-N 2 1 324.472 3.084 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235421902 1099014341 /nfs/dbraw/zinc/01/43/41/1099014341.db2.gz CMTKZRNHZUNQMU-GJZGRUSLSA-N 2 1 324.415 3.185 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CCCN2 ZINC001235423945 1099015198 /nfs/dbraw/zinc/01/51/98/1099015198.db2.gz HNMBSAZTYYICGH-OALUTQOASA-N 2 1 313.489 3.256 20 0 DGADMP Cc1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235425152 1099016573 /nfs/dbraw/zinc/01/65/73/1099016573.db2.gz ILOOGOIQNIGXBO-GOEBONIOSA-N 2 1 308.416 3.485 20 0 DGADMP CCOc1cc(O)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235423857 1099017009 /nfs/dbraw/zinc/01/70/09/1099017009.db2.gz GMWHUIXSHNRLJG-DLBZAZTESA-N 2 1 318.461 3.003 20 0 DGADMP Fc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427833 1099022475 /nfs/dbraw/zinc/02/24/75/1099022475.db2.gz UCAUCXIZRRLRTO-MSOLQXFVSA-N 2 1 304.453 3.470 20 0 DGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235429352 1099022696 /nfs/dbraw/zinc/02/26/96/1099022696.db2.gz XFZTVJSDHJVGLL-QWHCGFSZSA-N 2 1 312.379 3.316 20 0 DGADMP COc1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235430072 1099023034 /nfs/dbraw/zinc/02/30/34/1099023034.db2.gz CWKBDNDHDBRXLG-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP COc1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc(F)c1F ZINC001235430070 1099023542 /nfs/dbraw/zinc/02/35/42/1099023542.db2.gz CWKBDNDHDBRXLG-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430262 1099025849 /nfs/dbraw/zinc/02/58/49/1099025849.db2.gz WHKUDPAFORUBFZ-KBPBESRZSA-N 2 1 308.853 3.257 20 0 DGADMP CSc1ncc(C)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430089 1099027030 /nfs/dbraw/zinc/02/70/30/1099027030.db2.gz DFLXYUDTJLUMOD-JKSUJKDBSA-N 2 1 319.518 3.324 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235431299 1099027530 /nfs/dbraw/zinc/02/75/30/1099027530.db2.gz ZHUPPFAJAPKCRA-CVEARBPZSA-N 2 1 320.452 3.436 20 0 DGADMP COc1ccc(C(F)(F)F)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235432987 1099031325 /nfs/dbraw/zinc/03/13/25/1099031325.db2.gz CLVXCFDAWWMMPI-UHFFFAOYSA-N 2 1 316.367 3.145 20 0 DGADMP CC[C@H]([NH3+])C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001235439350 1099033444 /nfs/dbraw/zinc/03/34/44/1099033444.db2.gz CGAQEHIJXRDBOW-HNNXBMFYSA-N 2 1 311.267 3.366 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCCCO)C[C@@H]21 ZINC001235561417 1099085860 /nfs/dbraw/zinc/08/58/60/1099085860.db2.gz UTAANRXESDUOTP-RYQLBKOJSA-N 2 1 322.518 3.053 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCCCO)C[C@@H]21 ZINC001235561417 1099085874 /nfs/dbraw/zinc/08/58/74/1099085874.db2.gz UTAANRXESDUOTP-RYQLBKOJSA-N 2 1 322.518 3.053 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000069160467 1099091588 /nfs/dbraw/zinc/09/15/88/1099091588.db2.gz HUYXSEGVOMPVBG-AWEZNQCLSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1Cl ZINC001235662859 1099111018 /nfs/dbraw/zinc/11/10/18/1099111018.db2.gz BAIAQDKIKQAJDB-AAEUAGOBSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccccc1Cl ZINC001235662859 1099111020 /nfs/dbraw/zinc/11/10/20/1099111020.db2.gz BAIAQDKIKQAJDB-AAEUAGOBSA-N 2 1 302.796 3.263 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001235675044 1099117876 /nfs/dbraw/zinc/11/78/76/1099117876.db2.gz HXKPJLUVEAKGER-LBPRGKRZSA-N 2 1 320.330 3.094 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001235675185 1099118681 /nfs/dbraw/zinc/11/86/81/1099118681.db2.gz KIHDDFBUVOXNFG-LBPRGKRZSA-N 2 1 304.381 3.469 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001235675185 1099118685 /nfs/dbraw/zinc/11/86/85/1099118685.db2.gz KIHDDFBUVOXNFG-LBPRGKRZSA-N 2 1 304.381 3.469 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235687804 1099128596 /nfs/dbraw/zinc/12/85/96/1099128596.db2.gz IYANILVAOSUMEG-SJORKVTESA-N 2 1 318.461 3.071 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235687804 1099128602 /nfs/dbraw/zinc/12/86/02/1099128602.db2.gz IYANILVAOSUMEG-SJORKVTESA-N 2 1 318.461 3.071 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235688616 1099128798 /nfs/dbraw/zinc/12/87/98/1099128798.db2.gz SENWSTNFFDYUAP-HKUYNNGSSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001235689512 1099129192 /nfs/dbraw/zinc/12/91/92/1099129192.db2.gz ZXPBLTRGLFAGFG-LJQANCHMSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235692382 1099130703 /nfs/dbraw/zinc/13/07/03/1099130703.db2.gz NISAIWDQHNQMQO-IBGZPJMESA-N 2 1 314.473 3.310 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CC(C)(C)CO)C2)C1 ZINC001277963795 1099137426 /nfs/dbraw/zinc/13/74/26/1099137426.db2.gz UOYAATHZRQXZQZ-QGZVFWFLSA-N 2 1 310.526 3.229 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001235710598 1099139684 /nfs/dbraw/zinc/13/96/84/1099139684.db2.gz QLNFNRCEZKPWJE-QGZVFWFLSA-N 2 1 310.869 3.450 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001235717389 1099144458 /nfs/dbraw/zinc/14/44/58/1099144458.db2.gz SVGWGNNODZFNRC-UHFFFAOYSA-N 2 1 316.367 3.233 20 0 DGADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1OC(C)C ZINC001235717427 1099144342 /nfs/dbraw/zinc/14/43/42/1099144342.db2.gz UZCJHPBRFOKMPX-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc2c(c1)c(C[N@@H+](C)CCC1CC[NH2+]CC1)cn2C ZINC001235717462 1099144492 /nfs/dbraw/zinc/14/44/92/1099144492.db2.gz VLWVSYUSVLHMGA-UHFFFAOYSA-N 2 1 315.461 3.008 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001235762306 1099168881 /nfs/dbraw/zinc/16/88/81/1099168881.db2.gz RTZMPTGXKRUSTM-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001235762306 1099168885 /nfs/dbraw/zinc/16/88/85/1099168885.db2.gz RTZMPTGXKRUSTM-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC001235761250 1099169202 /nfs/dbraw/zinc/16/92/02/1099169202.db2.gz RTNOHZNFRBQMSA-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235787705 1099178501 /nfs/dbraw/zinc/17/85/01/1099178501.db2.gz FKGRYOXOPAKOMV-SFHVURJKSA-N 2 1 321.896 3.018 20 0 DGADMP C[NH+]1CCC(CCN2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001235787705 1099178508 /nfs/dbraw/zinc/17/85/08/1099178508.db2.gz FKGRYOXOPAKOMV-SFHVURJKSA-N 2 1 321.896 3.018 20 0 DGADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235793761 1099183883 /nfs/dbraw/zinc/18/38/83/1099183883.db2.gz BUNJKSOQESKWQX-GOSISDBHSA-N 2 1 324.468 3.334 20 0 DGADMP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235840901 1099205386 /nfs/dbraw/zinc/20/53/86/1099205386.db2.gz CQLKOVCGDISPLN-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235840901 1099205394 /nfs/dbraw/zinc/20/53/94/1099205394.db2.gz CQLKOVCGDISPLN-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001235842237 1099207189 /nfs/dbraw/zinc/20/71/89/1099207189.db2.gz MTLIRCZEPSFLHH-NSHDSACASA-N 2 1 317.658 3.144 20 0 DGADMP Brc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235882579 1099232174 /nfs/dbraw/zinc/23/21/74/1099232174.db2.gz OGANTCQBVBXYGS-DZGCQCFKSA-N 2 1 323.278 3.238 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001235892066 1099236578 /nfs/dbraw/zinc/23/65/78/1099236578.db2.gz LIJKSQAXQWGULV-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001235892066 1099236587 /nfs/dbraw/zinc/23/65/87/1099236587.db2.gz LIJKSQAXQWGULV-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP [NH3+]CCC1C[NH+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001235918912 1099256723 /nfs/dbraw/zinc/25/67/23/1099256723.db2.gz PHADDRUHDUSWNQ-UHFFFAOYSA-N 2 1 300.377 3.399 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235929810 1099265132 /nfs/dbraw/zinc/26/51/32/1099265132.db2.gz UQCDTYDVZXMODN-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001235933230 1099268372 /nfs/dbraw/zinc/26/83/72/1099268372.db2.gz FIEXYSFUYNLUQI-GOSISDBHSA-N 2 1 310.416 3.461 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235936260 1099269374 /nfs/dbraw/zinc/26/93/74/1099269374.db2.gz GIINPFJMMPZONY-NEPJUHHUSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235936260 1099269391 /nfs/dbraw/zinc/26/93/91/1099269391.db2.gz GIINPFJMMPZONY-NEPJUHHUSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235936266 1099270119 /nfs/dbraw/zinc/27/01/19/1099270119.db2.gz GIINPFJMMPZONY-VXGBXAGGSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235936266 1099270127 /nfs/dbraw/zinc/27/01/27/1099270127.db2.gz GIINPFJMMPZONY-VXGBXAGGSA-N 2 1 318.770 3.400 20 0 DGADMP COCCC[N@@H+](CCCCc1ccccc1)C1CC[NH2+]CC1 ZINC001235935358 1099271198 /nfs/dbraw/zinc/27/11/98/1099271198.db2.gz IHWSLCFGCZPGSJ-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP COCCC[N@H+](Cc1ccc(C)cc1Cl)C1CC[NH2+]CC1 ZINC001235937528 1099273156 /nfs/dbraw/zinc/27/31/56/1099273156.db2.gz OASSCKRVOAAHNJ-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP COCCC[N@@H+](Cc1ccc(C)cc1Cl)C1CC[NH2+]CC1 ZINC001235937528 1099273163 /nfs/dbraw/zinc/27/31/63/1099273163.db2.gz OASSCKRVOAAHNJ-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)cc1Br ZINC001235937517 1099273436 /nfs/dbraw/zinc/27/34/36/1099273436.db2.gz IIRYJZYQEIEZHK-UKRRQHHQSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)cc1Br ZINC001235937517 1099273441 /nfs/dbraw/zinc/27/34/41/1099273441.db2.gz IIRYJZYQEIEZHK-UKRRQHHQSA-N 2 1 323.278 3.107 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939140 1099274335 /nfs/dbraw/zinc/27/43/35/1099274335.db2.gz NXSIPEUYTGXCIK-CABCVRRESA-N 2 1 323.278 3.053 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939140 1099274343 /nfs/dbraw/zinc/27/43/43/1099274343.db2.gz NXSIPEUYTGXCIK-CABCVRRESA-N 2 1 323.278 3.053 20 0 DGADMP COCCC[N@@H+](Cc1ccc2cccccc1-2)C1CC[NH2+]CC1 ZINC001235940062 1099275768 /nfs/dbraw/zinc/27/57/68/1099275768.db2.gz OPHLZSSSSMIRCH-UHFFFAOYSA-N 2 1 312.457 3.382 20 0 DGADMP COCC[N@@H+](Cc1sc2ccccc2c1C)C1CC[NH2+]CC1 ZINC001235946001 1099278990 /nfs/dbraw/zinc/27/89/90/1099278990.db2.gz ZFWCLBKXBRCKRC-UHFFFAOYSA-N 2 1 318.486 3.410 20 0 DGADMP Cc1ccc([C@]2(C)C[N@@H+](Cc3cccc(C[NH3+])c3)CCO2)cc1 ZINC001235948587 1099280756 /nfs/dbraw/zinc/28/07/56/1099280756.db2.gz NLXRUXVLSUKIIQ-FQEVSTJZSA-N 2 1 310.441 3.201 20 0 DGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001235948693 1099281124 /nfs/dbraw/zinc/28/11/24/1099281124.db2.gz RBNUXGNRLAXMIG-BETUJISGSA-N 2 1 307.507 3.396 20 0 DGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235956537 1099287504 /nfs/dbraw/zinc/28/75/04/1099287504.db2.gz FTALHAFYVLCNAX-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235956537 1099287509 /nfs/dbraw/zinc/28/75/09/1099287509.db2.gz FTALHAFYVLCNAX-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC001235956781 1099288646 /nfs/dbraw/zinc/28/86/46/1099288646.db2.gz HZSHZAUZZXWCDK-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC001235956781 1099288651 /nfs/dbraw/zinc/28/86/51/1099288651.db2.gz HZSHZAUZZXWCDK-CYBMUJFWSA-N 2 1 316.367 3.145 20 0 DGADMP Clc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(Cl)c1 ZINC001235962621 1099294288 /nfs/dbraw/zinc/29/42/88/1099294288.db2.gz MQHGZKKAKQHDOK-UHFFFAOYSA-N 2 1 308.212 3.465 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc(SC(F)(F)F)c1)C2 ZINC001235960782 1099294314 /nfs/dbraw/zinc/29/43/14/1099294314.db2.gz ZMRKAQQFBQZMKV-DABQJJPHSA-N 2 1 316.392 3.468 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(SC(F)(F)F)c1)C2 ZINC001235960782 1099294320 /nfs/dbraw/zinc/29/43/20/1099294320.db2.gz ZMRKAQQFBQZMKV-DABQJJPHSA-N 2 1 316.392 3.468 20 0 DGADMP C[N@@H+](C/C=C/c1ccccc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235961590 1099294595 /nfs/dbraw/zinc/29/45/95/1099294595.db2.gz HQZXSGQXJADDKQ-JXMROGBWSA-N 2 1 321.468 3.241 20 0 DGADMP COC[C@H](C)[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963105 1099295121 /nfs/dbraw/zinc/29/51/21/1099295121.db2.gz UKDIHVNURHOYHT-FUHWJXTLSA-N 2 1 320.477 3.064 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963105 1099295134 /nfs/dbraw/zinc/29/51/34/1099295134.db2.gz UKDIHVNURHOYHT-FUHWJXTLSA-N 2 1 320.477 3.064 20 0 DGADMP CCc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)o1 ZINC001235975255 1099304452 /nfs/dbraw/zinc/30/44/52/1099304452.db2.gz SYQPXQSZCWSNRP-UHFFFAOYSA-N 2 1 310.441 3.479 20 0 DGADMP COC1(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCCCCC1 ZINC001180083031 1099306358 /nfs/dbraw/zinc/30/63/58/1099306358.db2.gz WCVDWHYPCHKVFM-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP COC1(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCCCCC1 ZINC001180083031 1099306370 /nfs/dbraw/zinc/30/63/70/1099306370.db2.gz WCVDWHYPCHKVFM-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP COC1(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCCCCC1 ZINC001180083031 1099306381 /nfs/dbraw/zinc/30/63/81/1099306381.db2.gz WCVDWHYPCHKVFM-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1F ZINC001236012372 1099334868 /nfs/dbraw/zinc/33/48/68/1099334868.db2.gz JCPYZEFDDXMYJH-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1F ZINC001236012372 1099334878 /nfs/dbraw/zinc/33/48/78/1099334878.db2.gz JCPYZEFDDXMYJH-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045512 1099347176 /nfs/dbraw/zinc/34/71/76/1099347176.db2.gz VOCXXDPCQCOSFN-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045512 1099347185 /nfs/dbraw/zinc/34/71/85/1099347185.db2.gz VOCXXDPCQCOSFN-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCC[C@H](F)C2)cc1 ZINC001204264074 1099365282 /nfs/dbraw/zinc/36/52/82/1099365282.db2.gz RCYWLKPWWJDZEQ-KRWDZBQOSA-N 2 1 308.441 3.341 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C1 ZINC001236067382 1099366765 /nfs/dbraw/zinc/36/67/65/1099366765.db2.gz MUCOOXUAMHCBSL-SFHVURJKSA-N 2 1 323.484 3.461 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001236079791 1099375174 /nfs/dbraw/zinc/37/51/74/1099375174.db2.gz YPPQZGVHKPWZCE-RISCZKNCSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001236079791 1099375186 /nfs/dbraw/zinc/37/51/86/1099375186.db2.gz YPPQZGVHKPWZCE-RISCZKNCSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001236079793 1099375307 /nfs/dbraw/zinc/37/53/07/1099375307.db2.gz YPPQZGVHKPWZCE-SMDDNHRTSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001236079793 1099375318 /nfs/dbraw/zinc/37/53/18/1099375318.db2.gz YPPQZGVHKPWZCE-SMDDNHRTSA-N 2 1 314.807 3.189 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Sc3ccccc3)CC2)CO1 ZINC001236091167 1099381856 /nfs/dbraw/zinc/38/18/56/1099381856.db2.gz UNLRKAGGFLYDPL-HNNXBMFYSA-N 2 1 320.502 3.358 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236093709 1099382942 /nfs/dbraw/zinc/38/29/42/1099382942.db2.gz XYJKMVGSCQMHPO-OALUTQOASA-N 2 1 316.489 3.482 20 0 DGADMP CC(C)Oc1cc(C[N@@H+](C)CCCC[NH3+])cc(OC(C)C)c1 ZINC001236141836 1099428081 /nfs/dbraw/zinc/42/80/81/1099428081.db2.gz MLMJDXWINOKGJG-UHFFFAOYSA-N 2 1 308.466 3.432 20 0 DGADMP CCOc1ccc(F)c(C[N@@H+](C)C2CCC([NH2+]C)CC2)c1F ZINC001236214288 1099469566 /nfs/dbraw/zinc/46/95/66/1099469566.db2.gz ALFKDUFWDGPTTP-UHFFFAOYSA-N 2 1 312.404 3.326 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236214898 1099469969 /nfs/dbraw/zinc/46/99/69/1099469969.db2.gz KCVDSUTYLZLQPC-UHFFFAOYSA-N 2 1 312.404 3.326 20 0 DGADMP CCOc1cc(F)c(C[N@@H+](C)C2CCC([NH2+]C)CC2)c(F)c1 ZINC001236216299 1099472794 /nfs/dbraw/zinc/47/27/94/1099472794.db2.gz XLEQYSLSOUXTMM-UHFFFAOYSA-N 2 1 312.404 3.326 20 0 DGADMP C[N@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217196 1099473453 /nfs/dbraw/zinc/47/34/53/1099473453.db2.gz OCDSHMAIGUIUOS-IRXDYDNUSA-N 2 1 305.441 3.128 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217196 1099473460 /nfs/dbraw/zinc/47/34/60/1099473460.db2.gz OCDSHMAIGUIUOS-IRXDYDNUSA-N 2 1 305.441 3.128 20 0 DGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC001236219436 1099477232 /nfs/dbraw/zinc/47/72/32/1099477232.db2.gz WEZWCIBKXBBSFD-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC001236219436 1099477239 /nfs/dbraw/zinc/47/72/39/1099477239.db2.gz WEZWCIBKXBBSFD-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236219780 1099477996 /nfs/dbraw/zinc/47/79/96/1099477996.db2.gz XQYCBSBKHTUGJK-AEFFLSMTSA-N 2 1 301.434 3.268 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236219780 1099478002 /nfs/dbraw/zinc/47/80/02/1099478002.db2.gz XQYCBSBKHTUGJK-AEFFLSMTSA-N 2 1 301.434 3.268 20 0 DGADMP CCCCOc1ncc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236222621 1099479745 /nfs/dbraw/zinc/47/97/45/1099479745.db2.gz JOROHVMETCNDMG-QAQDUYKDSA-N 2 1 305.466 3.271 20 0 DGADMP COc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236225674 1099481411 /nfs/dbraw/zinc/48/14/11/1099481411.db2.gz BDBTZKWQOKRXTI-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+]C1CCC([N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc2)CC1 ZINC001236227332 1099484602 /nfs/dbraw/zinc/48/46/02/1099484602.db2.gz CFQWDCIHEYBYSG-KKXNLOMOSA-N 3 1 315.505 3.148 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C1(C)CC[NH2+]CC1 ZINC001236226115 1099484620 /nfs/dbraw/zinc/48/46/20/1099484620.db2.gz IYUUHNKNFHLYMU-UHFFFAOYSA-N 2 1 302.462 3.364 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001236230402 1099486140 /nfs/dbraw/zinc/48/61/40/1099486140.db2.gz LFYHOFGRPLJHQP-HZPDHXFCSA-N 2 1 320.502 3.394 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC[C@@H]2C[NH2+]CCO2)cc1C ZINC001236244226 1099498849 /nfs/dbraw/zinc/49/88/49/1099498849.db2.gz JIZWCEMMDVBXKA-MOPGFXCFSA-N 2 1 302.462 3.209 20 0 DGADMP c1ccc(C[N@@H+](CCCc2ccncc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236268515 1099509423 /nfs/dbraw/zinc/50/94/23/1099509423.db2.gz FSBLRKJVNTVQTM-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@H+](CCCc2ccncc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236268515 1099509434 /nfs/dbraw/zinc/50/94/34/1099509434.db2.gz FSBLRKJVNTVQTM-HXUWFJFHSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(COCC[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236287990 1099518609 /nfs/dbraw/zinc/51/86/09/1099518609.db2.gz VFGKNLZRDYNGSY-UHFFFAOYSA-N 2 1 324.468 3.457 20 0 DGADMP c1ccc(COCC[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236287990 1099518616 /nfs/dbraw/zinc/51/86/16/1099518616.db2.gz VFGKNLZRDYNGSY-UHFFFAOYSA-N 2 1 324.468 3.457 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001236308470 1099526325 /nfs/dbraw/zinc/52/63/25/1099526325.db2.gz RJAXYYSVCQTVLJ-CXAGYDPISA-N 2 1 324.415 3.062 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314362 1099529089 /nfs/dbraw/zinc/52/90/89/1099529089.db2.gz CEXGMGWBQRTYEC-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP FC(F)(F)c1cccc(CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313940 1099529307 /nfs/dbraw/zinc/52/93/07/1099529307.db2.gz AUOHBWJVYHENLB-GASCZTMLSA-N 2 1 312.379 3.179 20 0 DGADMP Fc1ccccc1-n1cccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315562 1099530821 /nfs/dbraw/zinc/53/08/21/1099530821.db2.gz LIHKDANBHRBUSM-IYBDPMFKSA-N 2 1 313.420 3.048 20 0 DGADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001236317606 1099532330 /nfs/dbraw/zinc/53/23/30/1099532330.db2.gz ZUUVVLHBWOXUFC-CALCHBBNSA-N 2 1 302.462 3.052 20 0 DGADMP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320444 1099533793 /nfs/dbraw/zinc/53/37/93/1099533793.db2.gz HABWYXHNSNJEBD-TXEJJXNPSA-N 2 1 314.260 3.128 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2)nc1 ZINC001236319529 1099534819 /nfs/dbraw/zinc/53/48/19/1099534819.db2.gz BIVYVJIPVMJLHA-KDURUIRLSA-N 2 1 307.441 3.180 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1OC(C)C ZINC001236321443 1099536396 /nfs/dbraw/zinc/53/63/96/1099536396.db2.gz RNOKTHCEXUVPLJ-HDICACEKSA-N 2 1 302.462 3.214 20 0 DGADMP CC(C)(C)c1n[nH]cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374655 1099560421 /nfs/dbraw/zinc/56/04/21/1099560421.db2.gz RTSJPJXRCSNMJW-HNNXBMFYSA-N 2 1 318.509 3.451 20 0 DGADMP c1cc2n(c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)CCC2 ZINC001236374065 1099561210 /nfs/dbraw/zinc/56/12/10/1099561210.db2.gz AKZTXCLBOSJAEF-INIZCTEOSA-N 2 1 301.478 3.179 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236374762 1099562175 /nfs/dbraw/zinc/56/21/75/1099562175.db2.gz TWYBRBDGPUNQLP-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP CCc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)nc1 ZINC001236375969 1099562544 /nfs/dbraw/zinc/56/25/44/1099562544.db2.gz NSPQAUWLLLWBSI-KRWDZBQOSA-N 2 1 301.478 3.388 20 0 DGADMP CCOc1cncc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236376181 1099563956 /nfs/dbraw/zinc/56/39/56/1099563956.db2.gz QCMVJTACWZPOSD-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP CCOc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccn1 ZINC001236376951 1099564116 /nfs/dbraw/zinc/56/41/16/1099564116.db2.gz XIBGREUVAHVLRY-KRWDZBQOSA-N 2 1 317.477 3.225 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236409801 1099583551 /nfs/dbraw/zinc/58/35/51/1099583551.db2.gz WWZZZOHTUPCVJS-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236409801 1099583560 /nfs/dbraw/zinc/58/35/60/1099583560.db2.gz WWZZZOHTUPCVJS-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@@H+](Cc1cc(C(F)(F)F)ccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236410368 1099584057 /nfs/dbraw/zinc/58/40/57/1099584057.db2.gz ZHHMGRARRHVIPV-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1cc(C(F)(F)F)ccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236410368 1099584063 /nfs/dbraw/zinc/58/40/63/1099584063.db2.gz ZHHMGRARRHVIPV-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410820 1099585749 /nfs/dbraw/zinc/58/57/49/1099585749.db2.gz KXJZMOSQSYRBGT-WQANXHIZSA-N 2 1 300.490 3.312 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414086 1099587702 /nfs/dbraw/zinc/58/77/02/1099587702.db2.gz JEYBVQLIZORHDH-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414086 1099587712 /nfs/dbraw/zinc/58/77/12/1099587712.db2.gz JEYBVQLIZORHDH-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236421040 1099595196 /nfs/dbraw/zinc/59/51/96/1099595196.db2.gz SCFNKAXRBCCWFY-OAHLLOKOSA-N 2 1 300.368 3.322 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236421040 1099595204 /nfs/dbraw/zinc/59/52/04/1099595204.db2.gz SCFNKAXRBCCWFY-OAHLLOKOSA-N 2 1 300.368 3.322 20 0 DGADMP FC(F)(F)Oc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC001236434927 1099610809 /nfs/dbraw/zinc/61/08/09/1099610809.db2.gz YCHZSSKXTYUUHL-WFASDCNBSA-N 2 1 314.351 3.332 20 0 DGADMP FC(F)(F)Oc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC001236434924 1099611024 /nfs/dbraw/zinc/61/10/24/1099611024.db2.gz YCHZSSKXTYUUHL-IUODEOHRSA-N 2 1 314.351 3.332 20 0 DGADMP COC(=O)c1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236457705 1099619318 /nfs/dbraw/zinc/61/93/18/1099619318.db2.gz NBIZZMIIIYYEHS-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP COc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1F ZINC001236457405 1099620523 /nfs/dbraw/zinc/62/05/23/1099620523.db2.gz KKEVDCRZKXNTNO-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CCOCC[N@H+](Cc1cc(C)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001236460472 1099624700 /nfs/dbraw/zinc/62/47/00/1099624700.db2.gz DSHYWANHHVMGPA-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP CCOCC[N@@H+](Cc1cc(C)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001236460472 1099624710 /nfs/dbraw/zinc/62/47/10/1099624710.db2.gz DSHYWANHHVMGPA-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP Cc1ccc(F)cc1C[N@H+](C[C@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236509196 1099652523 /nfs/dbraw/zinc/65/25/23/1099652523.db2.gz JMVOKTFBTRHBNT-LJQANCHMSA-N 2 1 318.436 3.381 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+](C[C@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236509196 1099652531 /nfs/dbraw/zinc/65/25/31/1099652531.db2.gz JMVOKTFBTRHBNT-LJQANCHMSA-N 2 1 318.436 3.381 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC001236515804 1099654403 /nfs/dbraw/zinc/65/44/03/1099654403.db2.gz AFQGBDRCDXVSHC-UHFFFAOYSA-N 3 1 321.484 3.207 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001236532845 1099667875 /nfs/dbraw/zinc/66/78/75/1099667875.db2.gz FHTXDEBMCCAFDJ-LJQANCHMSA-N 2 1 323.440 3.037 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543519 1099672939 /nfs/dbraw/zinc/67/29/39/1099672939.db2.gz XIAXSOHQGRXETL-RANZSIQMSA-N 2 1 302.462 3.423 20 0 DGADMP CC(C)C[N@@H+](C[C@H]1COC2(CCCCC2)O1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550055 1099676042 /nfs/dbraw/zinc/67/60/42/1099676042.db2.gz GETBJKAGEOJFAV-BZSNNMDCSA-N 2 1 324.509 3.290 20 0 DGADMP CC(C)C[N@H+](Cc1cc(F)c(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551914 1099677719 /nfs/dbraw/zinc/67/77/19/1099677719.db2.gz OGTHZSGJSRDVMG-HDJSIYSDSA-N 2 1 312.404 3.398 20 0 DGADMP CC(C)C[N@@H+](Cc1cc(F)c(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551914 1099677725 /nfs/dbraw/zinc/67/77/25/1099677725.db2.gz OGTHZSGJSRDVMG-HDJSIYSDSA-N 2 1 312.404 3.398 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552660 1099678040 /nfs/dbraw/zinc/67/80/40/1099678040.db2.gz YNWBVCZRLFUWAC-WKILWMFISA-N 2 1 304.434 3.143 20 0 DGADMP COc1cccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236573549 1099685364 /nfs/dbraw/zinc/68/53/64/1099685364.db2.gz FIJVWSUUBHSZQI-JCNLHEQBSA-N 2 1 317.477 3.292 20 0 DGADMP FC(F)COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236597312 1099693387 /nfs/dbraw/zinc/69/33/87/1099693387.db2.gz BYYFEALRHYBMBY-HNNXBMFYSA-N 2 1 324.415 3.295 20 0 DGADMP Fc1ccc2[nH]cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c2c1 ZINC001236599097 1099695264 /nfs/dbraw/zinc/69/52/64/1099695264.db2.gz PMXCZJUSAPNFNN-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601609 1099697370 /nfs/dbraw/zinc/69/73/70/1099697370.db2.gz NNWOHRUVNGZVAP-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601609 1099697374 /nfs/dbraw/zinc/69/73/74/1099697374.db2.gz NNWOHRUVNGZVAP-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236600774 1099697452 /nfs/dbraw/zinc/69/74/52/1099697452.db2.gz JERGYYLHTHIVMD-OAHLLOKOSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1ccc(OC)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236600774 1099697455 /nfs/dbraw/zinc/69/74/55/1099697455.db2.gz JERGYYLHTHIVMD-OAHLLOKOSA-N 2 1 318.461 3.058 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001236604811 1099699246 /nfs/dbraw/zinc/69/92/46/1099699246.db2.gz OMSJVEPWLRBAFT-AWEZNQCLSA-N 2 1 302.340 3.064 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4cc(OC)ccc4s3)C[C@H]2C1 ZINC001236660398 1099729126 /nfs/dbraw/zinc/72/91/26/1099729126.db2.gz VJCPDKWSLDLOFY-HUUCEWRRSA-N 2 1 316.470 3.293 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CNCCO1 ZINC001236661757 1099730716 /nfs/dbraw/zinc/73/07/16/1099730716.db2.gz GEBRQCJIPQXHCE-RTBURBONSA-N 2 1 304.478 3.098 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C[C@H](C)CO)C[C@H]2CC1 ZINC001277995011 1099732566 /nfs/dbraw/zinc/73/25/66/1099732566.db2.gz SHKXBVCDQRYJGR-LWYYNNOASA-N 2 1 324.553 3.475 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C[C@H](C)CO)C[C@H]2CC1 ZINC001277995011 1099732572 /nfs/dbraw/zinc/73/25/72/1099732572.db2.gz SHKXBVCDQRYJGR-LWYYNNOASA-N 2 1 324.553 3.475 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](C[C@H](C)CO)C[C@H]2CC1 ZINC001277995011 1099732575 /nfs/dbraw/zinc/73/25/75/1099732575.db2.gz SHKXBVCDQRYJGR-LWYYNNOASA-N 2 1 324.553 3.475 20 0 DGADMP COc1ccc2sc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001236668652 1099734840 /nfs/dbraw/zinc/73/48/40/1099734840.db2.gz WSGRXVXEZMNQSK-GOSISDBHSA-N 2 1 316.470 3.438 20 0 DGADMP Cc1ccc(C[N@@H+](Cc2ncccc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722172 1099760200 /nfs/dbraw/zinc/76/02/00/1099760200.db2.gz GGJBFCDGAZOIGX-IYARVYRRSA-N 2 1 324.472 3.244 20 0 DGADMP CCC(CC)[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783030 1099780280 /nfs/dbraw/zinc/78/02/80/1099780280.db2.gz YCLLJGZDDFVQEJ-UAPYVXQJSA-N 3 1 303.494 3.406 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC001236821562 1099805851 /nfs/dbraw/zinc/80/58/51/1099805851.db2.gz VQJICKWNRQPECD-FVQBIDKESA-N 2 1 312.379 3.307 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2c1 ZINC001236829479 1099814737 /nfs/dbraw/zinc/81/47/37/1099814737.db2.gz KNFNPECTNMTSMD-YSIASYRMSA-N 2 1 309.457 3.075 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC)c(OCC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835954 1099824414 /nfs/dbraw/zinc/82/44/14/1099824414.db2.gz RDHKSMDEAKKVLG-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCCC(F)(F)CC3)c2)CC1 ZINC001236887962 1099852286 /nfs/dbraw/zinc/85/22/86/1099852286.db2.gz RVSVFJKRTDPOIL-UHFFFAOYSA-N 2 1 323.431 3.060 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236912422 1099873361 /nfs/dbraw/zinc/87/33/61/1099873361.db2.gz SDNXDWYLXMAXIB-UHFFFAOYSA-N 2 1 320.868 3.299 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236912422 1099873369 /nfs/dbraw/zinc/87/33/69/1099873369.db2.gz SDNXDWYLXMAXIB-UHFFFAOYSA-N 2 1 320.868 3.299 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C[C@@]1(C)O ZINC001236913823 1099874857 /nfs/dbraw/zinc/87/48/57/1099874857.db2.gz OSWAUHKKXVSECL-CXAGYDPISA-N 2 1 319.836 3.119 20 0 DGADMP c1nc2ccc(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)cc2[nH]1 ZINC001236947981 1099887225 /nfs/dbraw/zinc/88/72/25/1099887225.db2.gz NRHAPAHIOFOYBG-UHFFFAOYSA-N 2 1 312.461 3.165 20 0 DGADMP CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965686 1099893290 /nfs/dbraw/zinc/89/32/90/1099893290.db2.gz BSHHBQPGVKFMPS-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965686 1099893300 /nfs/dbraw/zinc/89/33/00/1099893300.db2.gz BSHHBQPGVKFMPS-MRXNPFEDSA-N 2 1 319.468 3.200 20 0 DGADMP Cc1ccc(-c2cncc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)c2)cc1 ZINC001236999414 1099918914 /nfs/dbraw/zinc/91/89/14/1099918914.db2.gz SOXOBIHBHBOEAE-CTNGQTDRSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2)cc1 ZINC001236999414 1099918926 /nfs/dbraw/zinc/91/89/26/1099918926.db2.gz SOXOBIHBHBOEAE-CTNGQTDRSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2)cc1 ZINC001236999414 1099918934 /nfs/dbraw/zinc/91/89/34/1099918934.db2.gz SOXOBIHBHBOEAE-CTNGQTDRSA-N 2 1 321.468 3.441 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC001237042142 1099939825 /nfs/dbraw/zinc/93/98/25/1099939825.db2.gz KIYLTMSOZDEUDF-KRWDZBQOSA-N 2 1 304.434 3.129 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001237059395 1099941898 /nfs/dbraw/zinc/94/18/98/1099941898.db2.gz UQNDEVSDCYGEIY-HNNXBMFYSA-N 2 1 311.267 3.052 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(OCC)c1 ZINC001237056737 1099947325 /nfs/dbraw/zinc/94/73/25/1099947325.db2.gz JGERVERENSXTLR-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(OCC)c1 ZINC001237056737 1099947335 /nfs/dbraw/zinc/94/73/35/1099947335.db2.gz JGERVERENSXTLR-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(CCC[NH+](C)C)C2)C1 ZINC001278049105 1099956890 /nfs/dbraw/zinc/95/68/90/1099956890.db2.gz FVBCZYFJEPKDAX-SFHVURJKSA-N 2 1 309.542 3.162 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237080121 1099959530 /nfs/dbraw/zinc/95/95/30/1099959530.db2.gz CURZYSQWSWULBK-HNNXBMFYSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237080121 1099959537 /nfs/dbraw/zinc/95/95/37/1099959537.db2.gz CURZYSQWSWULBK-HNNXBMFYSA-N 2 1 311.267 3.318 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCC[NH+](C)C ZINC001278049991 1099960578 /nfs/dbraw/zinc/96/05/78/1099960578.db2.gz YOZUYESGAJOLMO-FHWLQOOXSA-N 2 1 309.542 3.303 20 0 DGADMP C[NH+](C)CCCN1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001278049924 1099960932 /nfs/dbraw/zinc/96/09/32/1099960932.db2.gz WDZYXGLILZGSTL-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP C[NH+](C)CCC[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001278049924 1099960943 /nfs/dbraw/zinc/96/09/43/1099960943.db2.gz WDZYXGLILZGSTL-UHFFFAOYSA-N 3 1 307.526 3.059 20 0 DGADMP C[NH+](C)CCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001278049924 1099960954 /nfs/dbraw/zinc/96/09/54/1099960954.db2.gz WDZYXGLILZGSTL-UHFFFAOYSA-N 3 1 307.526 3.059 20 0 DGADMP CN(C)CCC[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001278049924 1099960967 /nfs/dbraw/zinc/96/09/67/1099960967.db2.gz WDZYXGLILZGSTL-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP CN(C)CCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001278049924 1099960982 /nfs/dbraw/zinc/96/09/82/1099960982.db2.gz WDZYXGLILZGSTL-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001237082003 1099961380 /nfs/dbraw/zinc/96/13/80/1099961380.db2.gz OOFJXOVLPRHMHU-KRWDZBQOSA-N 2 1 319.836 3.155 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001237082003 1099961388 /nfs/dbraw/zinc/96/13/88/1099961388.db2.gz OOFJXOVLPRHMHU-KRWDZBQOSA-N 2 1 319.836 3.155 20 0 DGADMP Nc1cccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001237222170 1100035286 /nfs/dbraw/zinc/03/52/86/1100035286.db2.gz FIHFQPREXPYUHP-UHFFFAOYSA-N 2 1 321.468 3.292 20 0 DGADMP Nc1cccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001237222170 1100035294 /nfs/dbraw/zinc/03/52/94/1100035294.db2.gz FIHFQPREXPYUHP-UHFFFAOYSA-N 2 1 321.468 3.292 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@H]4C3)(C1)C2 ZINC001237230465 1100042484 /nfs/dbraw/zinc/04/24/84/1100042484.db2.gz GHOWDVWJNFJLNX-SEEUUAMPSA-N 2 1 317.864 3.195 20 0 DGADMP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](CCC3C[NH2+]C3)C2)cc1 ZINC001237264528 1100049801 /nfs/dbraw/zinc/04/98/01/1100049801.db2.gz JGOAAZQTSTUGOY-KRWDZBQOSA-N 2 1 302.462 3.263 20 0 DGADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237258024 1100049938 /nfs/dbraw/zinc/04/99/38/1100049938.db2.gz JRHVMLCDUCUJSD-LSDHHAIUSA-N 2 1 311.267 3.193 20 0 DGADMP COCCN(Cc1c(C)cc(Cl)cc1C)C1CC[NH+](C)CC1 ZINC001237357005 1100092494 /nfs/dbraw/zinc/09/24/94/1100092494.db2.gz XLVAFDXBZAGBFN-UHFFFAOYSA-N 2 1 324.896 3.499 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237384106 1100102390 /nfs/dbraw/zinc/10/23/90/1100102390.db2.gz UKZNLFQMNMLGTQ-APWZRJJASA-N 2 1 310.441 3.422 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237394906 1100108930 /nfs/dbraw/zinc/10/89/30/1100108930.db2.gz XAHMIMMGODGKHS-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237394906 1100108935 /nfs/dbraw/zinc/10/89/35/1100108935.db2.gz XAHMIMMGODGKHS-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(CC)c1O ZINC001237402991 1100112448 /nfs/dbraw/zinc/11/24/48/1100112448.db2.gz JQRRHCZCQBZADP-ROUUACIJSA-N 2 1 302.462 3.091 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(CC)c1O ZINC001237402991 1100112452 /nfs/dbraw/zinc/11/24/52/1100112452.db2.gz JQRRHCZCQBZADP-ROUUACIJSA-N 2 1 302.462 3.091 20 0 DGADMP c1csc(-c2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)n1 ZINC001237403067 1100112469 /nfs/dbraw/zinc/11/24/69/1100112469.db2.gz JUQPBROONIBMFK-WBVHZDCISA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)n1 ZINC001237403067 1100112473 /nfs/dbraw/zinc/11/24/73/1100112473.db2.gz JUQPBROONIBMFK-WBVHZDCISA-N 2 1 313.470 3.384 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237410408 1100116379 /nfs/dbraw/zinc/11/63/79/1100116379.db2.gz CVOCWMBRZMGZCA-UYAOXDASSA-N 2 1 314.473 3.155 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001237712697 1100223494 /nfs/dbraw/zinc/22/34/94/1100223494.db2.gz FGLKBRMXPRALDJ-SFHVURJKSA-N 2 1 312.413 3.360 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(-c2ccccn2)n1 ZINC001237836813 1100263911 /nfs/dbraw/zinc/26/39/11/1100263911.db2.gz OQXKGMPHZLVESB-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2ccccn2)n1 ZINC001237836813 1100263918 /nfs/dbraw/zinc/26/39/18/1100263918.db2.gz OQXKGMPHZLVESB-UHFFFAOYSA-N 2 1 312.461 3.307 20 0 DGADMP C(C[NH+]1CCCCC1)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001278154157 1100267638 /nfs/dbraw/zinc/26/76/38/1100267638.db2.gz NQCNEQONMBUTTJ-UHFFFAOYSA-N 2 1 319.537 3.203 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)cc21 ZINC001237878608 1100277948 /nfs/dbraw/zinc/27/79/48/1100277948.db2.gz RNRKERGXNLOYMA-MSOLQXFVSA-N 2 1 312.457 3.156 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@](C)(O)CC3)cc21 ZINC001237880513 1100278232 /nfs/dbraw/zinc/27/82/32/1100278232.db2.gz GQUPVKUBMJITBL-HXUWFJFHSA-N 2 1 314.473 3.425 20 0 DGADMP CC[N@H+]1CCN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)[C@H](C)C1 ZINC001237878567 1100278327 /nfs/dbraw/zinc/27/83/27/1100278327.db2.gz FRPFGDGXQWHFBO-MRXNPFEDSA-N 2 1 313.489 3.214 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCO[C@@H](C)C3)cc21 ZINC001237881487 1100279948 /nfs/dbraw/zinc/27/99/48/1100279948.db2.gz UBMCILZPBOVKKZ-HNNXBMFYSA-N 2 1 300.446 3.299 20 0 DGADMP COC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237881463 1100280550 /nfs/dbraw/zinc/28/05/50/1100280550.db2.gz SMHDLHDRNDMWCQ-MRXNPFEDSA-N 2 1 300.446 3.156 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911762 1100292034 /nfs/dbraw/zinc/29/20/34/1100292034.db2.gz GGSPCBHQAQPVSE-AZUAARDMSA-N 2 1 314.473 3.107 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)c(OCC)c3)C[C@@H]2C1 ZINC001238076681 1100351785 /nfs/dbraw/zinc/35/17/85/1100351785.db2.gz PHDQWWJQFMEUIM-ROUUACIJSA-N 2 1 302.462 3.167 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1)[NH+]1CCCC1 ZINC001191119710 1100404868 /nfs/dbraw/zinc/40/48/68/1100404868.db2.gz ADUMDBNPOWHCRJ-QZTJIDSGSA-N 2 1 306.494 3.001 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205559846 1100428771 /nfs/dbraw/zinc/42/87/71/1100428771.db2.gz VPWYYVMIFQNWOH-AWEZNQCLSA-N 2 1 322.321 3.497 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191443893 1100468382 /nfs/dbraw/zinc/46/83/82/1100468382.db2.gz GTGJLPTXGYCTEF-VQTJNVASSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191443893 1100468385 /nfs/dbraw/zinc/46/83/85/1100468385.db2.gz GTGJLPTXGYCTEF-VQTJNVASSA-N 2 1 318.505 3.032 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191443893 1100468388 /nfs/dbraw/zinc/46/83/88/1100468388.db2.gz GTGJLPTXGYCTEF-VQTJNVASSA-N 2 1 318.505 3.032 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cnc3-c3ccccc3)C[C@H]2C1 ZINC001238615336 1100483884 /nfs/dbraw/zinc/48/38/84/1100483884.db2.gz CGQPZUQTTHBMOG-WOJBJXKFSA-N 2 1 321.468 3.441 20 0 DGADMP Cc1nc2cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)ccc2s1 ZINC001205579576 1100573322 /nfs/dbraw/zinc/57/33/22/1100573322.db2.gz OAVPIMJMSGQNDM-MRXNPFEDSA-N 2 1 307.438 3.258 20 0 DGADMP CC(C)[C@](O)(C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC001192536902 1100636101 /nfs/dbraw/zinc/63/61/01/1100636101.db2.gz NQGOYERAQLRBSR-HXUWFJFHSA-N 2 1 316.489 3.090 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC001205604335 1100647588 /nfs/dbraw/zinc/64/75/88/1100647588.db2.gz VBNMSQUKDHIEEF-GXTWGEPZSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205618949 1100702358 /nfs/dbraw/zinc/70/23/58/1100702358.db2.gz ZNSNTGKXTRIINY-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@H+](Cc2sc(Cl)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205626766 1100719345 /nfs/dbraw/zinc/71/93/45/1100719345.db2.gz IXWUCBZKCILQOV-DTWKUNHWSA-N 2 1 308.278 3.257 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2sc(Cl)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205626766 1100719351 /nfs/dbraw/zinc/71/93/51/1100719351.db2.gz IXWUCBZKCILQOV-DTWKUNHWSA-N 2 1 308.278 3.257 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001194221715 1100897035 /nfs/dbraw/zinc/89/70/35/1100897035.db2.gz MTSDRRZNWCUIFE-NEWSRXKRSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001194221715 1100897043 /nfs/dbraw/zinc/89/70/43/1100897043.db2.gz MTSDRRZNWCUIFE-NEWSRXKRSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001194221715 1100897050 /nfs/dbraw/zinc/89/70/50/1100897050.db2.gz MTSDRRZNWCUIFE-NEWSRXKRSA-N 2 1 304.478 3.161 20 0 DGADMP Cc1c(-c2cccc(CCN3CCOCC3)c2)ccc2nccn21 ZINC001240276788 1100919804 /nfs/dbraw/zinc/91/98/04/1100919804.db2.gz HLFZQTQXOYVPEL-UHFFFAOYSA-N 2 1 321.424 3.184 20 0 DGADMP C[NH+]1CCN(Cc2cccc(-c3cccc(C(C)(C)[NH3+])c3)c2)CC1 ZINC001240304197 1100933008 /nfs/dbraw/zinc/93/30/08/1100933008.db2.gz XUTHBYPRZXUNLZ-UHFFFAOYSA-N 2 1 323.484 3.295 20 0 DGADMP Cc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)nc2c1C[NH2+]CC2 ZINC001240385341 1100968920 /nfs/dbraw/zinc/96/89/20/1100968920.db2.gz OAEUBHRPYMCDFR-UHFFFAOYSA-N 2 1 319.452 3.325 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3cccc4c3CC[C@@H]4[NH3+])cc2)CC1 ZINC001240408448 1100982455 /nfs/dbraw/zinc/98/24/55/1100982455.db2.gz JWZOIHCQROWRSG-NRFANRHFSA-N 2 1 321.468 3.047 20 0 DGADMP [NH3+]Cc1c[nH]c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc12 ZINC001240478275 1101014840 /nfs/dbraw/zinc/01/48/40/1101014840.db2.gz KQEGBIRXBAJPCH-UHFFFAOYSA-N 2 1 321.424 3.126 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc(N4CCCC4)cc3)cn12 ZINC001240589759 1101062933 /nfs/dbraw/zinc/06/29/33/1101062933.db2.gz GWVZVRQQXIQMNL-UHFFFAOYSA-N 2 1 318.424 3.288 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001195499952 1101151096 /nfs/dbraw/zinc/15/10/96/1101151096.db2.gz YXPVZSUYTSRJKB-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001195499952 1101151100 /nfs/dbraw/zinc/15/11/00/1101151100.db2.gz YXPVZSUYTSRJKB-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001195499952 1101151102 /nfs/dbraw/zinc/15/11/02/1101151102.db2.gz YXPVZSUYTSRJKB-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP Fc1ccc(Cl)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241331003 1101379334 /nfs/dbraw/zinc/37/93/34/1101379334.db2.gz NBPBVNCWLOTNRT-UHFFFAOYSA-N 2 1 301.752 3.481 20 0 DGADMP C[N@H+]1CCc2ncnc(-c3ccc(C[NH+]4CCCCC4)cc3)c2C1 ZINC001241389356 1101424988 /nfs/dbraw/zinc/42/49/88/1101424988.db2.gz UDTPRAYUEYZCKC-UHFFFAOYSA-N 2 1 322.456 3.117 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c(F)cccc23)CCC1(F)F ZINC001205795918 1101455857 /nfs/dbraw/zinc/45/58/57/1101455857.db2.gz LXAZSKKNUDIMHY-ZDUSSCGKSA-N 2 1 308.347 3.395 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c(F)cccc23)CCC1(F)F ZINC001205795918 1101455861 /nfs/dbraw/zinc/45/58/61/1101455861.db2.gz LXAZSKKNUDIMHY-ZDUSSCGKSA-N 2 1 308.347 3.395 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4ccncc4c3)cn12 ZINC001241676137 1101626047 /nfs/dbraw/zinc/62/60/47/1101626047.db2.gz SUBPHMFNNOBBSN-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP Cc1cc2[nH]ccc2c(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]1 ZINC001241814822 1101718098 /nfs/dbraw/zinc/71/80/98/1101718098.db2.gz FKLUHNRYTTTXQD-UHFFFAOYSA-N 2 1 307.397 3.371 20 0 DGADMP [NH3+][C@H]1CCc2c1cccc2-c1ccccc1C[NH+]1CCOCC1 ZINC001241994112 1101840380 /nfs/dbraw/zinc/84/03/80/1101840380.db2.gz QRGRQUUOHBLFGA-FQEVSTJZSA-N 2 1 308.425 3.132 20 0 DGADMP CO[C@@H](C)c1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001242025237 1101865482 /nfs/dbraw/zinc/86/54/82/1101865482.db2.gz XRNSBYQQKCPFNJ-ZDUSSCGKSA-N 2 1 307.397 3.396 20 0 DGADMP CO[C@H](C)c1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001242025235 1101866099 /nfs/dbraw/zinc/86/60/99/1101866099.db2.gz XRNSBYQQKCPFNJ-CYBMUJFWSA-N 2 1 307.397 3.396 20 0 DGADMP CCc1nc(C)c(CN2CCC3(CC2)OCc2ccccc23)[nH]1 ZINC001203244365 1102025175 /nfs/dbraw/zinc/02/51/75/1102025175.db2.gz XCPCWOGAQAWAKG-UHFFFAOYSA-N 2 1 311.429 3.302 20 0 DGADMP Fc1cc(F)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1Cl ZINC001242289709 1102033641 /nfs/dbraw/zinc/03/36/41/1102033641.db2.gz JRMWWIKGBDWRCA-UHFFFAOYSA-N 2 1 309.747 3.090 20 0 DGADMP FC(F)COc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001199038479 1102052109 /nfs/dbraw/zinc/05/21/09/1102052109.db2.gz RKDUPFCUJIQHJF-UHFFFAOYSA-N 2 1 312.404 3.296 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccn(C)n2)cc1 ZINC001199275807 1102107491 /nfs/dbraw/zinc/10/74/91/1102107491.db2.gz NRVUFSAHXIGHHW-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC001199275807 1102107497 /nfs/dbraw/zinc/10/74/97/1102107497.db2.gz NRVUFSAHXIGHHW-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC001199275807 1102107505 /nfs/dbraw/zinc/10/75/05/1102107505.db2.gz NRVUFSAHXIGHHW-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC001199335966 1102117329 /nfs/dbraw/zinc/11/73/29/1102117329.db2.gz FHMWMGLXAAKUFB-MRXNPFEDSA-N 2 1 306.498 3.346 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(C2=CC[C@H]([NH+]3CCCC3)CC2)n1 ZINC001242688989 1102286529 /nfs/dbraw/zinc/28/65/29/1102286529.db2.gz HJRPVWIGRSCWDI-INIZCTEOSA-N 2 1 309.417 3.002 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901563 1102401363 /nfs/dbraw/zinc/40/13/63/1102401363.db2.gz DFPQWSOHNFCGMT-QWRGUYRKSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901563 1102401366 /nfs/dbraw/zinc/40/13/66/1102401366.db2.gz DFPQWSOHNFCGMT-QWRGUYRKSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001205904596 1102463126 /nfs/dbraw/zinc/46/31/26/1102463126.db2.gz WCABXUJDMPPCLR-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001201388613 1102577926 /nfs/dbraw/zinc/57/79/26/1102577926.db2.gz BHQWZNAXNKZXJU-WOJBJXKFSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001201388613 1102577941 /nfs/dbraw/zinc/57/79/41/1102577941.db2.gz BHQWZNAXNKZXJU-WOJBJXKFSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001201388613 1102577954 /nfs/dbraw/zinc/57/79/54/1102577954.db2.gz BHQWZNAXNKZXJU-WOJBJXKFSA-N 2 1 320.521 3.247 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C[C@H]3CC=CCC3)C2)C1 ZINC001201410384 1102594800 /nfs/dbraw/zinc/59/48/00/1102594800.db2.gz JZGCIIXALPOPPM-DFQSSKMNSA-N 2 1 318.505 3.023 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001201410384 1102594808 /nfs/dbraw/zinc/59/48/08/1102594808.db2.gz JZGCIIXALPOPPM-DFQSSKMNSA-N 2 1 318.505 3.023 20 0 DGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201487910 1102610675 /nfs/dbraw/zinc/61/06/75/1102610675.db2.gz UXRJBNYYZSFWEF-GBESFXJTSA-N 2 1 307.526 3.079 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201503840 1102616313 /nfs/dbraw/zinc/61/63/13/1102616313.db2.gz SGCYIDCXEWMZRA-INIZCTEOSA-N 2 1 322.518 3.461 20 0 DGADMP CCC[C@H](C)C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201543408 1102631662 /nfs/dbraw/zinc/63/16/62/1102631662.db2.gz GGMHRXYDUSKYKX-UHOSZYNNSA-N 2 1 301.478 3.272 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001201543307 1102632193 /nfs/dbraw/zinc/63/21/93/1102632193.db2.gz PDFPORWJWUGDLR-QGZVFWFLSA-N 2 1 320.477 3.383 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001201543307 1102632201 /nfs/dbraw/zinc/63/22/01/1102632201.db2.gz PDFPORWJWUGDLR-QGZVFWFLSA-N 2 1 320.477 3.383 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001201525244 1102643973 /nfs/dbraw/zinc/64/39/73/1102643973.db2.gz DVNQLMKYVANUCG-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001201525244 1102643978 /nfs/dbraw/zinc/64/39/78/1102643978.db2.gz DVNQLMKYVANUCG-UHFFFAOYSA-N 2 1 320.477 3.383 20 0 DGADMP CCC(CC)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001201626342 1102676787 /nfs/dbraw/zinc/67/67/87/1102676787.db2.gz NCGQBJKPAHTUPU-IBGZPJMESA-N 2 1 304.478 3.169 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201973899 1102777748 /nfs/dbraw/zinc/77/77/48/1102777748.db2.gz TYJSRUIZULQTJF-ZCNNSNEGSA-N 2 1 321.553 3.469 20 0 DGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CC2CCCC2)CC3)n1 ZINC001202167943 1102870856 /nfs/dbraw/zinc/87/08/56/1102870856.db2.gz ZXMOWRVLHORASR-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CC2CCCC2)CC3)n1 ZINC001202167943 1102870870 /nfs/dbraw/zinc/87/08/70/1102870870.db2.gz ZXMOWRVLHORASR-UHFFFAOYSA-N 2 1 316.493 3.041 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001202397243 1102982839 /nfs/dbraw/zinc/98/28/39/1102982839.db2.gz ZTSWUUMMILPHPG-OAHLLOKOSA-N 2 1 322.415 3.152 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001202397243 1102982846 /nfs/dbraw/zinc/98/28/46/1102982846.db2.gz ZTSWUUMMILPHPG-OAHLLOKOSA-N 2 1 322.415 3.152 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001202397243 1102982853 /nfs/dbraw/zinc/98/28/53/1102982853.db2.gz ZTSWUUMMILPHPG-OAHLLOKOSA-N 2 1 322.415 3.152 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001202397243 1102982861 /nfs/dbraw/zinc/98/28/61/1102982861.db2.gz ZTSWUUMMILPHPG-OAHLLOKOSA-N 2 1 322.415 3.152 20 0 DGADMP Fc1cc(F)c(Cl)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001243844622 1103004947 /nfs/dbraw/zinc/00/49/47/1103004947.db2.gz RHWVOXBXQACOJX-UHFFFAOYSA-N 2 1 309.747 3.090 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC001325745354 1103114760 /nfs/dbraw/zinc/11/47/60/1103114760.db2.gz XKFZFXYBBOXSOZ-QWHCGFSZSA-N 2 1 320.868 3.483 20 0 DGADMP CC(C)COc1ccccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001244056655 1103173685 /nfs/dbraw/zinc/17/36/85/1103173685.db2.gz NAKYAZXHOOHROW-UHFFFAOYSA-N 2 1 311.429 3.193 20 0 DGADMP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000688022490 1103189842 /nfs/dbraw/zinc/18/98/42/1103189842.db2.gz BBZJUAVGFIUQKI-LLVKDONJSA-N 2 1 304.381 3.168 20 0 DGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC001326277045 1103253461 /nfs/dbraw/zinc/25/34/61/1103253461.db2.gz GZRZITSMYLKOQJ-MRXNPFEDSA-N 2 1 304.478 3.338 20 0 DGADMP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000689072879 1103284791 /nfs/dbraw/zinc/28/47/91/1103284791.db2.gz VSKGZNSZRWSMBP-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)c1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1N ZINC001244323180 1103359836 /nfs/dbraw/zinc/35/98/36/1103359836.db2.gz FFFQWIURKMFLAU-UHFFFAOYSA-N 2 1 306.413 3.394 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C1CCCC1 ZINC001326818721 1103453437 /nfs/dbraw/zinc/45/34/37/1103453437.db2.gz ANLAXXDDYACAKY-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)no1 ZINC001276311452 1103482602 /nfs/dbraw/zinc/48/26/02/1103482602.db2.gz MPBBYTDHOOCHOM-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)no1 ZINC001276311452 1103482608 /nfs/dbraw/zinc/48/26/08/1103482608.db2.gz MPBBYTDHOOCHOM-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)no1 ZINC001276311452 1103482613 /nfs/dbraw/zinc/48/26/13/1103482613.db2.gz MPBBYTDHOOCHOM-IYBDPMFKSA-N 2 1 303.450 3.069 20 0 DGADMP CCC[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001327067920 1103511501 /nfs/dbraw/zinc/51/15/01/1103511501.db2.gz QLRIAEACDXNXAI-KRWDZBQOSA-N 3 1 309.542 3.303 20 0 DGADMP CCC[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001327067920 1103511509 /nfs/dbraw/zinc/51/15/09/1103511509.db2.gz QLRIAEACDXNXAI-KRWDZBQOSA-N 3 1 309.542 3.303 20 0 DGADMP CCC[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001327067920 1103511518 /nfs/dbraw/zinc/51/15/18/1103511518.db2.gz QLRIAEACDXNXAI-KRWDZBQOSA-N 3 1 309.542 3.303 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001327127339 1103539034 /nfs/dbraw/zinc/53/90/34/1103539034.db2.gz VDBCGNJLORMEOZ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327127339 1103539044 /nfs/dbraw/zinc/53/90/44/1103539044.db2.gz VDBCGNJLORMEOZ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327127339 1103539050 /nfs/dbraw/zinc/53/90/50/1103539050.db2.gz VDBCGNJLORMEOZ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001327532877 1103676277 /nfs/dbraw/zinc/67/62/77/1103676277.db2.gz KZWQJUQFYUWUKY-GOSISDBHSA-N 2 1 312.461 3.110 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC001327532877 1103676283 /nfs/dbraw/zinc/67/62/83/1103676283.db2.gz KZWQJUQFYUWUKY-GOSISDBHSA-N 2 1 312.461 3.110 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)[C@H]2CCC[C@@H]21 ZINC001327891855 1103757082 /nfs/dbraw/zinc/75/70/82/1103757082.db2.gz PFULLXAQFMLEQD-COXVUDFISA-N 2 1 310.844 3.484 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001327977090 1103787886 /nfs/dbraw/zinc/78/78/86/1103787886.db2.gz FLCGKUZOKCRHKX-HOTGVXAUSA-N 2 1 323.868 3.131 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC001328401351 1103934436 /nfs/dbraw/zinc/93/44/36/1103934436.db2.gz WLKOJWPDARARSM-BLLLJJGKSA-N 2 1 318.852 3.289 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-n1cccn1 ZINC001137102026 1103981026 /nfs/dbraw/zinc/98/10/26/1103981026.db2.gz DROABRWAPNBVOE-UHFFFAOYSA-N 2 1 300.450 3.036 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328605633 1103997208 /nfs/dbraw/zinc/99/72/08/1103997208.db2.gz BDIUSMMKIMFUQL-CQSZACIVSA-N 2 1 305.466 3.499 20 0 DGADMP COc1cc(C)[nH+]cc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245407862 1104034015 /nfs/dbraw/zinc/03/40/15/1104034015.db2.gz KOXZYIBMRSKHMD-UHFFFAOYSA-N 2 1 312.413 3.334 20 0 DGADMP Nc1cc(F)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1Cl ZINC001245466334 1104074947 /nfs/dbraw/zinc/07/49/47/1104074947.db2.gz DPBDNKZPJOVGRV-UHFFFAOYSA-N 2 1 316.767 3.063 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)nn1 ZINC001245524182 1104103112 /nfs/dbraw/zinc/10/31/12/1104103112.db2.gz KUAAZCCRUHBPFJ-UHFFFAOYSA-N 2 1 319.412 3.105 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)C3CC3)cc2)c2ccccc21 ZINC001329025292 1104127295 /nfs/dbraw/zinc/12/72/95/1104127295.db2.gz UVDWTAOTKJGGRY-RBUKOAKNSA-N 2 1 321.424 3.270 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC001137209737 1104146604 /nfs/dbraw/zinc/14/66/04/1104146604.db2.gz QXIVFVVSODGTSX-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP C[C@@H]1CCc2nc(CNC[C@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161568 1104174590 /nfs/dbraw/zinc/17/45/90/1104174590.db2.gz NRRQELHOSSCCAU-ZIAGYGMSSA-N 2 1 307.507 3.089 20 0 DGADMP CC(C)([NH3+])c1ccc(-c2cccc(CN3CCC([NH3+])CC3)c2)cc1 ZINC001245909128 1104301378 /nfs/dbraw/zinc/30/13/78/1104301378.db2.gz IYYALQZZXBDKSS-UHFFFAOYSA-N 2 1 323.484 3.471 20 0 DGADMP CCC[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070440 1104363447 /nfs/dbraw/zinc/36/34/47/1104363447.db2.gz RGGWICHUSMPXQP-KRWDZBQOSA-N 2 1 310.869 3.055 20 0 DGADMP Cc1cc(F)cc(C[N@@H+](C[C@H](O)C(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001246071200 1104363565 /nfs/dbraw/zinc/36/35/65/1104363565.db2.gz XZCRAZPGMYIOHG-SFHVURJKSA-N 2 1 322.468 3.095 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2cc(F)cc(Br)c2)C[C@@H](C)[NH2+]1 ZINC001246077508 1104372714 /nfs/dbraw/zinc/37/27/14/1104372714.db2.gz UIZYFSACPQJSHX-NXEZZACHSA-N 2 1 315.230 3.207 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086789 1104378378 /nfs/dbraw/zinc/37/83/78/1104378378.db2.gz VZJIGJSXDOVHHX-SCRDCRAPSA-N 2 1 316.367 3.246 20 0 DGADMP CC1(C)C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246091796 1104379586 /nfs/dbraw/zinc/37/95/86/1104379586.db2.gz QIFREGRNLDOGQK-OALUTQOASA-N 2 1 315.505 3.161 20 0 DGADMP CC1(C)C[C@H](N[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246091793 1104379634 /nfs/dbraw/zinc/37/96/34/1104379634.db2.gz QIFREGRNLDOGQK-MOPGFXCFSA-N 2 1 315.505 3.161 20 0 DGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1F ZINC001246092352 1104380675 /nfs/dbraw/zinc/38/06/75/1104380675.db2.gz AOSDRRAZVZDRHE-DLBZAZTESA-N 2 1 316.395 3.418 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246090498 1104380699 /nfs/dbraw/zinc/38/06/99/1104380699.db2.gz AGGITDRMOXLVHA-XUJVJEKNSA-N 2 1 316.367 3.104 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246092990 1104381995 /nfs/dbraw/zinc/38/19/95/1104381995.db2.gz UHORYTVWGGWLAQ-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246111303 1104390909 /nfs/dbraw/zinc/39/09/09/1104390909.db2.gz ADUVGPDSCYNYQK-MRXNPFEDSA-N 2 1 318.461 3.262 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[NH2+]1 ZINC001246112215 1104393361 /nfs/dbraw/zinc/39/33/61/1104393361.db2.gz DZDXCQGUUCATDT-SJORKVTESA-N 2 1 318.461 3.262 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+]C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001246116332 1104394524 /nfs/dbraw/zinc/39/45/24/1104394524.db2.gz YZJSPYKSABFIQZ-KRWDZBQOSA-N 2 1 323.484 3.048 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)n2C)CC[NH2+]1 ZINC001246118329 1104394565 /nfs/dbraw/zinc/39/45/65/1104394565.db2.gz GHMOKSROTACQOQ-STQMWFEESA-N 2 1 317.399 3.444 20 0 DGADMP F[C@]1(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246115642 1104394837 /nfs/dbraw/zinc/39/48/37/1104394837.db2.gz RXJHAZLJAFLVIQ-RHSMWYFYSA-N 2 1 310.844 3.269 20 0 DGADMP F[C@]1(C[NH2+]C2CCC(Oc3ccccc3)CC2)CCCC[NH2+]C1 ZINC001246115721 1104395419 /nfs/dbraw/zinc/39/54/19/1104395419.db2.gz SLTDJPVGVHATLS-NKELODKYSA-N 2 1 320.452 3.448 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@H]1C[NH2+]CC13CC3)CC2 ZINC001246130721 1104399514 /nfs/dbraw/zinc/39/95/14/1104399514.db2.gz JLFZRXJDBOGZOV-DOMZBBRYSA-N 2 1 311.256 3.192 20 0 DGADMP F[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246141920 1104403338 /nfs/dbraw/zinc/40/33/38/1104403338.db2.gz HZWCAGSOMXSPGY-IUODEOHRSA-N 2 1 317.235 3.142 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157871 1104410252 /nfs/dbraw/zinc/41/02/52/1104410252.db2.gz CIVYAWFQNXCOQN-BMGDILEWSA-N 2 1 322.880 3.162 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157963 1104410599 /nfs/dbraw/zinc/41/05/99/1104410599.db2.gz CWVMNFGDAYICJV-ZTFGCOKTSA-N 2 1 322.880 3.162 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246163556 1104412947 /nfs/dbraw/zinc/41/29/47/1104412947.db2.gz ZHZZZRRFTZIHPP-MOPGFXCFSA-N 2 1 303.494 3.191 20 0 DGADMP C[C@H]1C[C@H](NCC[NH2+]Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246172918 1104420665 /nfs/dbraw/zinc/42/06/65/1104420665.db2.gz YEOYQZIBVSTNOL-RXVVDRJESA-N 2 1 323.484 3.029 20 0 DGADMP CC(C)C[C@H]([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246179939 1104425039 /nfs/dbraw/zinc/42/50/39/1104425039.db2.gz PCVAWMFLENMFHN-BXWFABGCSA-N 2 1 324.509 3.255 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246182213 1104426043 /nfs/dbraw/zinc/42/60/43/1104426043.db2.gz YWIJONYOMVCFNZ-OCCSQVGLSA-N 2 1 316.367 3.248 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246187399 1104428087 /nfs/dbraw/zinc/42/80/87/1104428087.db2.gz ZPBFZOWANWFEEU-SWLSCSKDSA-N 2 1 318.358 3.318 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246199796 1104433938 /nfs/dbraw/zinc/43/39/38/1104433938.db2.gz LHURAEFVUAMDAF-SJORKVTESA-N 2 1 322.493 3.010 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196245 1104434045 /nfs/dbraw/zinc/43/40/45/1104434045.db2.gz RTRCSXHYGXEFIW-ZWKOTPCHSA-N 2 1 307.526 3.295 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196245 1104434049 /nfs/dbraw/zinc/43/40/49/1104434049.db2.gz RTRCSXHYGXEFIW-ZWKOTPCHSA-N 3 1 307.526 3.295 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196245 1104434053 /nfs/dbraw/zinc/43/40/53/1104434053.db2.gz RTRCSXHYGXEFIW-ZWKOTPCHSA-N 3 1 307.526 3.295 20 0 DGADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246200167 1104435690 /nfs/dbraw/zinc/43/56/90/1104435690.db2.gz AENWAYYBLQYDRW-HOTGVXAUSA-N 2 1 310.482 3.140 20 0 DGADMP CCCCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C(=O)OCC)CC1 ZINC001246200698 1104435763 /nfs/dbraw/zinc/43/57/63/1104435763.db2.gz NDGOAQZGVDMEDR-ZGUYJTEBSA-N 2 1 324.509 3.256 20 0 DGADMP CCCC[C@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246203242 1104436063 /nfs/dbraw/zinc/43/60/63/1104436063.db2.gz REMHQSFAWIFPKA-GJZGRUSLSA-N 2 1 300.487 3.384 20 0 DGADMP CCCCCC1CCC([NH2+]CCCC[C@H]([NH3+])C(=O)OC)CC1 ZINC001246204886 1104436968 /nfs/dbraw/zinc/43/69/68/1104436968.db2.gz PXZBSJAVSBKUIQ-JCYILVPMSA-N 2 1 312.498 3.386 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001246207035 1104437355 /nfs/dbraw/zinc/43/73/55/1104437355.db2.gz MPXKYKQKQCMRLX-KFWWJZLASA-N 2 1 312.498 3.240 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246205925 1104437408 /nfs/dbraw/zinc/43/74/08/1104437408.db2.gz BRYFJQQNWMGKNS-SJORKVTESA-N 2 1 320.477 3.047 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246225607 1104446098 /nfs/dbraw/zinc/44/60/98/1104446098.db2.gz CRSHZZXHLSRVHO-DLBZAZTESA-N 2 1 310.432 3.478 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246226490 1104447123 /nfs/dbraw/zinc/44/71/23/1104447123.db2.gz QVZLWLBEOJDTAP-OLZOCXBDSA-N 2 1 304.331 3.465 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246228933 1104447462 /nfs/dbraw/zinc/44/74/62/1104447462.db2.gz ZAUVYFROITXQEP-GFCCVEGCSA-N 2 1 304.331 3.465 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2C(F)(F)F)CC[NH2+]1 ZINC001246236353 1104450980 /nfs/dbraw/zinc/45/09/80/1104450980.db2.gz RLLXRIBNPGGXQO-CHWSQXEVSA-N 2 1 316.367 3.334 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246261683 1104463579 /nfs/dbraw/zinc/46/35/79/1104463579.db2.gz VLVIZVBBWPETIZ-ZACQAIPSSA-N 2 1 310.869 3.274 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246263359 1104463865 /nfs/dbraw/zinc/46/38/65/1104463865.db2.gz DGDULIGCXKWJHN-IAGOWNOFSA-N 2 1 314.860 3.357 20 0 DGADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246270811 1104467905 /nfs/dbraw/zinc/46/79/05/1104467905.db2.gz QAHPBVKMGNYKPV-GOSISDBHSA-N 2 1 303.494 3.019 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246273243 1104468797 /nfs/dbraw/zinc/46/87/97/1104468797.db2.gz UUUHXLMIBGWMQN-BBWFWOEESA-N 2 1 310.869 3.274 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246284649 1104473765 /nfs/dbraw/zinc/47/37/65/1104473765.db2.gz BZPPHELVYMFZNE-LBPRGKRZSA-N 2 1 316.367 3.377 20 0 DGADMP CCC[C@H]([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)C(=O)OC(C)(C)C ZINC001246289212 1104475803 /nfs/dbraw/zinc/47/58/03/1104475803.db2.gz BVXAZQKMGAKAKX-GJZGRUSLSA-N 2 1 310.482 3.009 20 0 DGADMP CC(C)[C@@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246333978 1104495919 /nfs/dbraw/zinc/49/59/19/1104495919.db2.gz SYZOAZRERYPYLA-ROUUACIJSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246332949 1104496235 /nfs/dbraw/zinc/49/62/35/1104496235.db2.gz SZFRBJDHJDPXAD-NKFCBESUSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001246345718 1104500629 /nfs/dbraw/zinc/50/06/29/1104500629.db2.gz HEECVQXCCDEJDG-DYEKYZERSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345718 1104500638 /nfs/dbraw/zinc/50/06/38/1104500638.db2.gz HEECVQXCCDEJDG-DYEKYZERSA-N 2 1 311.267 3.110 20 0 DGADMP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246349765 1104502435 /nfs/dbraw/zinc/50/24/35/1104502435.db2.gz CCADBIHCPJULRD-QKLQHJQFSA-N 2 1 307.441 3.106 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358299 1104505386 /nfs/dbraw/zinc/50/53/86/1104505386.db2.gz CRJSQGUADDKKAS-HOSYDEDBSA-N 2 1 302.796 3.279 20 0 DGADMP C1C[N@@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246360966 1104507695 /nfs/dbraw/zinc/50/76/95/1104507695.db2.gz MCDLDCGRJQZYSC-GOSISDBHSA-N 3 1 319.537 3.295 20 0 DGADMP C1C[N@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246360966 1104507700 /nfs/dbraw/zinc/50/77/00/1104507700.db2.gz MCDLDCGRJQZYSC-GOSISDBHSA-N 3 1 319.537 3.295 20 0 DGADMP CC(C)(C)[C@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246361242 1104508232 /nfs/dbraw/zinc/50/82/32/1104508232.db2.gz NYRUAQPIRCIRPF-JFIYKMOQSA-N 2 1 307.526 3.150 20 0 DGADMP Clc1ccccc1C1([NH2+]C2CCC3(CC[NH2+]C3)CC2)COC1 ZINC001246362740 1104508660 /nfs/dbraw/zinc/50/86/60/1104508660.db2.gz QHEZWNUBTKGCLF-UHFFFAOYSA-N 2 1 320.864 3.077 20 0 DGADMP Clc1ccccc1C1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)COC1 ZINC001246364367 1104510067 /nfs/dbraw/zinc/51/00/67/1104510067.db2.gz WCUBXKNLZNZJLP-RHSMWYFYSA-N 2 1 320.864 3.077 20 0 DGADMP Clc1ccccc1C1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)COC1 ZINC001246364366 1104510158 /nfs/dbraw/zinc/51/01/58/1104510158.db2.gz WCUBXKNLZNZJLP-PBHICJAKSA-N 2 1 320.864 3.077 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246365668 1104510788 /nfs/dbraw/zinc/51/07/88/1104510788.db2.gz ZLPKEQILPLQCBZ-CEXWTWQISA-N 2 1 315.505 3.190 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246365671 1104511903 /nfs/dbraw/zinc/51/19/03/1104511903.db2.gz ZLPKEQILPLQCBZ-FHWLQOOXSA-N 2 1 315.505 3.190 20 0 DGADMP FC1(F)CCC(C[NH2+][C@@H]2CCC[NH2+]C2)(Cc2ccncc2)CC1 ZINC001246382982 1104517075 /nfs/dbraw/zinc/51/70/75/1104517075.db2.gz FTKBAPFMRRXLBD-MRXNPFEDSA-N 2 1 323.431 3.161 20 0 DGADMP FC(F)(F)c1ccccc1CC1(C[NH2+][C@@H]2CC[NH2+]C2)CCC1 ZINC001246384539 1104518490 /nfs/dbraw/zinc/51/84/90/1104518490.db2.gz PPNDKXNJPOACHW-CQSZACIVSA-N 2 1 312.379 3.370 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402188 1104526974 /nfs/dbraw/zinc/52/69/74/1104526974.db2.gz KMUVPPVQCMXNER-DKIMLUQUSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@H]1C[C@@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402188 1104526980 /nfs/dbraw/zinc/52/69/80/1104526980.db2.gz KMUVPPVQCMXNER-DKIMLUQUSA-N 2 1 319.468 3.038 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246402249 1104528140 /nfs/dbraw/zinc/52/81/40/1104528140.db2.gz TZNYYHCBQZMTDT-NXHRZFHOSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407046 1104529161 /nfs/dbraw/zinc/52/91/61/1104529161.db2.gz SONXQIPPDBECJH-UDTPNQRGSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407964 1104531400 /nfs/dbraw/zinc/53/14/00/1104531400.db2.gz WGEKGANDPZALSU-OWYHZJEWSA-N 3 1 307.526 3.279 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccnc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410029 1104531644 /nfs/dbraw/zinc/53/16/44/1104531644.db2.gz FKQBOTOHRXAREO-GDBMZVCRSA-N 2 1 323.431 3.302 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCC=CO1)Cc1ccccc12 ZINC001274893171 1104534843 /nfs/dbraw/zinc/53/48/43/1104534843.db2.gz NLOOSRVFHKGJBI-SFHVURJKSA-N 2 1 312.457 3.158 20 0 DGADMP CCC1([NH2+][C@@H]2CCN[C@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425043 1104535965 /nfs/dbraw/zinc/53/59/65/1104535965.db2.gz VLUZVUKQUZEFRQ-AEFFLSMTSA-N 2 1 319.468 3.049 20 0 DGADMP CCC1([NH2+][C@H]2CCN[C@@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425044 1104536148 /nfs/dbraw/zinc/53/61/48/1104536148.db2.gz VLUZVUKQUZEFRQ-FUHWJXTLSA-N 2 1 319.468 3.049 20 0 DGADMP CCC1([NH2+][C@H]2CCN[C@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425048 1104536675 /nfs/dbraw/zinc/53/66/75/1104536675.db2.gz VLUZVUKQUZEFRQ-WMZOPIPTSA-N 2 1 319.468 3.049 20 0 DGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246443219 1104542234 /nfs/dbraw/zinc/54/22/34/1104542234.db2.gz MGSQOMNPUCASNE-DSLXNQLJSA-N 2 1 302.462 3.245 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246449103 1104543393 /nfs/dbraw/zinc/54/33/93/1104543393.db2.gz WHWFMRUYEYKGRA-IRXDYDNUSA-N 3 1 307.526 3.055 20 0 DGADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)C2 ZINC001246462430 1104549368 /nfs/dbraw/zinc/54/93/68/1104549368.db2.gz RWDLGUUHKPZMOV-MAUKXSAKSA-N 2 1 304.865 3.319 20 0 DGADMP CC1(C)C[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246477648 1104558820 /nfs/dbraw/zinc/55/88/20/1104558820.db2.gz IQMOPEBOPWXNIW-QRVBRYPASA-N 2 1 315.505 3.289 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246477985 1104559806 /nfs/dbraw/zinc/55/98/06/1104559806.db2.gz LANDMJWCDXDEPX-LHDHZVESSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246485328 1104560543 /nfs/dbraw/zinc/56/05/43/1104560543.db2.gz IFONWZWYKAPENU-GXTWGEPZSA-N 2 1 316.823 3.496 20 0 DGADMP CC[C@H]1CC([NH2+][C@@H](CO)c2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246500091 1104566264 /nfs/dbraw/zinc/56/62/64/1104566264.db2.gz OJJGXPZGEBOFCR-ZOBUZTSGSA-N 2 1 310.869 3.272 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)C[C@@H]1C ZINC001246498225 1104566888 /nfs/dbraw/zinc/56/68/88/1104566888.db2.gz GZXPRNGRQGWVFV-UGUYLWEFSA-N 2 1 312.498 3.240 20 0 DGADMP CC[C@@H]1CC([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246508777 1104570254 /nfs/dbraw/zinc/57/02/54/1104570254.db2.gz CGAKFLQZJYAMMX-ZACQAIPSSA-N 3 1 307.526 3.340 20 0 DGADMP COc1c(F)cc(F)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001274999891 1104574068 /nfs/dbraw/zinc/57/40/68/1104574068.db2.gz CKINWXRTDDZPLG-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246515571 1104574118 /nfs/dbraw/zinc/57/41/18/1104574118.db2.gz SKXZEBZVPRPACE-IKGGRYGDSA-N 3 1 307.526 3.198 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C)cc3)CC2)CC[NH2+]1 ZINC001246529925 1104578927 /nfs/dbraw/zinc/57/89/27/1104578927.db2.gz LIETWPURBIWTSJ-ICSRJNTNSA-N 2 1 315.505 3.428 20 0 DGADMP CC[C@H]1CC([NH+]2CCN(c3ccccc3C)CC2)C[C@H](CC)[NH2+]1 ZINC001246536966 1104581550 /nfs/dbraw/zinc/58/15/50/1104581550.db2.gz HRYXYQGEIJAMJA-ROUUACIJSA-N 2 1 315.505 3.426 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246540255 1104585061 /nfs/dbraw/zinc/58/50/61/1104585061.db2.gz FWNWLLDITIXDLA-WDSOQIARSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246540780 1104586194 /nfs/dbraw/zinc/58/61/94/1104586194.db2.gz MNDQKTZMFIJOOK-ZRJCITRHSA-N 2 1 313.272 3.451 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]1C[NH3+] ZINC001246547902 1104587692 /nfs/dbraw/zinc/58/76/92/1104587692.db2.gz DBQAIIKBJZMHKJ-CABCVRRESA-N 2 1 321.896 3.226 20 0 DGADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3cccc(Br)c3C2)CC1 ZINC001246547319 1104587837 /nfs/dbraw/zinc/58/78/37/1104587837.db2.gz PESSAPCPMVADLI-KBPBESRZSA-N 2 1 323.278 3.120 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246546043 1104587911 /nfs/dbraw/zinc/58/79/11/1104587911.db2.gz MMYQCNOWNFJDTB-OCCSQVGLSA-N 2 1 311.267 3.193 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246547254 1104588128 /nfs/dbraw/zinc/58/81/28/1104588128.db2.gz HOGBVMAVVRFIIY-YTQUADARSA-N 2 1 320.452 3.164 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246547254 1104588136 /nfs/dbraw/zinc/58/81/36/1104588136.db2.gz HOGBVMAVVRFIIY-YTQUADARSA-N 2 1 320.452 3.164 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001246547410 1104588838 /nfs/dbraw/zinc/58/88/38/1104588838.db2.gz CVYSSQMMUATYTB-JKSUJKDBSA-N 2 1 323.278 3.120 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246548361 1104589043 /nfs/dbraw/zinc/58/90/43/1104589043.db2.gz HXWVOYMPYZXQNA-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCN1 ZINC001246551042 1104591422 /nfs/dbraw/zinc/59/14/22/1104591422.db2.gz KAPHXLJOCKOYLZ-YTQUADARSA-N 2 1 319.468 3.131 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCN1 ZINC001246551042 1104591428 /nfs/dbraw/zinc/59/14/28/1104591428.db2.gz KAPHXLJOCKOYLZ-YTQUADARSA-N 2 1 319.468 3.131 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556617 1104592880 /nfs/dbraw/zinc/59/28/80/1104592880.db2.gz JUTYIPLYVLZHSP-STQMWFEESA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556617 1104592886 /nfs/dbraw/zinc/59/28/86/1104592886.db2.gz JUTYIPLYVLZHSP-STQMWFEESA-N 2 1 314.807 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246556110 1104593073 /nfs/dbraw/zinc/59/30/73/1104593073.db2.gz BDGVOMJTIHCWDN-HNJRGHQBSA-N 2 1 315.505 3.241 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246553447 1104593247 /nfs/dbraw/zinc/59/32/47/1104593247.db2.gz SHUZNBYATXQTSJ-JTTJXQCZSA-N 2 1 310.482 3.090 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001275054664 1104593843 /nfs/dbraw/zinc/59/38/43/1104593843.db2.gz DMIKIHPBRVUBGA-QGZVFWFLSA-N 2 1 307.507 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001275054664 1104593852 /nfs/dbraw/zinc/59/38/52/1104593852.db2.gz DMIKIHPBRVUBGA-QGZVFWFLSA-N 2 1 307.507 3.395 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001275054664 1104593860 /nfs/dbraw/zinc/59/38/60/1104593860.db2.gz DMIKIHPBRVUBGA-QGZVFWFLSA-N 2 1 307.507 3.395 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001275054664 1104593868 /nfs/dbraw/zinc/59/38/68/1104593868.db2.gz DMIKIHPBRVUBGA-QGZVFWFLSA-N 2 1 307.507 3.395 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001246560705 1104595046 /nfs/dbraw/zinc/59/50/46/1104595046.db2.gz SCLUOGZRCGLVQA-GYXIZQIFSA-N 2 1 324.509 3.194 20 0 DGADMP CCc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275056909 1104596123 /nfs/dbraw/zinc/59/61/23/1104596123.db2.gz FYRNOCAFQBXSHN-UHFFFAOYSA-N 2 1 324.472 3.070 20 0 DGADMP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](CC(C)C)CC2)C1 ZINC001275056721 1104596289 /nfs/dbraw/zinc/59/62/89/1104596289.db2.gz WRUKVVZVCBAEOS-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC[C@@H]1C[NH3+] ZINC001246563451 1104597221 /nfs/dbraw/zinc/59/72/21/1104597221.db2.gz WYUFXVJFDABABQ-XPKDYRNWSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CCC[C@H]1C[NH3+] ZINC001246566462 1104598103 /nfs/dbraw/zinc/59/81/03/1104598103.db2.gz IVKVFIIPPXIRTK-IVMMDQJWSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246564026 1104598403 /nfs/dbraw/zinc/59/84/03/1104598403.db2.gz CXNPFTZRDREHHJ-HJZRJOMTSA-N 2 1 302.462 3.184 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001246573110 1104601573 /nfs/dbraw/zinc/60/15/73/1104601573.db2.gz GEHVNHSDTIAESF-APWZRJJASA-N 2 1 304.478 3.467 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001246581709 1104603615 /nfs/dbraw/zinc/60/36/15/1104603615.db2.gz ABFDVDSRICCRDQ-YJBOKZPZSA-N 2 1 308.416 3.273 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@](C)(C[NH3+])CC1)C2 ZINC001246577770 1104603688 /nfs/dbraw/zinc/60/36/88/1104603688.db2.gz PIHLUVWJKDPMMM-LPHOPBHVSA-N 2 1 302.462 3.003 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246581830 1104604443 /nfs/dbraw/zinc/60/44/43/1104604443.db2.gz AYRFQDNAVXOZAA-IAGOWNOFSA-N 2 1 312.498 3.351 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001246587510 1104607892 /nfs/dbraw/zinc/60/78/92/1104607892.db2.gz GWNHTBHCMGAAIO-SFHVURJKSA-N 2 1 317.521 3.099 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@@H](C[NH3+])CC[C@H]1C)CC2 ZINC001246589849 1104608151 /nfs/dbraw/zinc/60/81/51/1104608151.db2.gz GZHQWHFCYYERGR-MGPQQGTHSA-N 2 1 322.880 3.265 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2C[C@@H](CC)[NH2+][C@H](CC)C2)C1 ZINC001246595065 1104612200 /nfs/dbraw/zinc/61/22/00/1104612200.db2.gz XLRKVSYNYQDRGJ-GPMSIDNRSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)[N@@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@H]1CCC[NH2+]CC1 ZINC001246594278 1104612667 /nfs/dbraw/zinc/61/26/67/1104612667.db2.gz PKUQYVPCDASHFW-VIQWUECVSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001246597987 1104613865 /nfs/dbraw/zinc/61/38/65/1104613865.db2.gz ZGFIPULZYWXNPI-CRAIPNDOSA-N 2 1 308.416 3.273 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001246597990 1104614962 /nfs/dbraw/zinc/61/49/62/1104614962.db2.gz ZGFIPULZYWXNPI-QAPCUYQASA-N 2 1 308.416 3.273 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246601336 1104618739 /nfs/dbraw/zinc/61/87/39/1104618739.db2.gz IBWLPBSCRBNSDQ-IBGZPJMESA-N 2 1 316.489 3.242 20 0 DGADMP C1C[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246609144 1104623735 /nfs/dbraw/zinc/62/37/35/1104623735.db2.gz XMPJODQESBCZMF-IEBWSBKVSA-N 3 1 305.510 3.049 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246610925 1104626062 /nfs/dbraw/zinc/62/60/62/1104626062.db2.gz SMCFRCCMXBOSTH-WMLDXEAASA-N 2 1 308.466 3.382 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CS2 ZINC001246613837 1104628818 /nfs/dbraw/zinc/62/88/18/1104628818.db2.gz QZOIXZRFFHUPAB-AEFFLSMTSA-N 2 1 302.487 3.169 20 0 DGADMP CCOC(=O)C1(C)CCC([N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614687 1104630026 /nfs/dbraw/zinc/63/00/26/1104630026.db2.gz PGGUYTSVMVHMOW-KVZIAJEVSA-N 2 1 322.493 3.107 20 0 DGADMP CCOC(=O)C1(C)CCC([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614687 1104630029 /nfs/dbraw/zinc/63/00/29/1104630029.db2.gz PGGUYTSVMVHMOW-KVZIAJEVSA-N 2 1 322.493 3.107 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246622979 1104632395 /nfs/dbraw/zinc/63/23/95/1104632395.db2.gz LDMPIYXYKPZJMO-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246622979 1104632396 /nfs/dbraw/zinc/63/23/96/1104632396.db2.gz LDMPIYXYKPZJMO-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624214 1104633179 /nfs/dbraw/zinc/63/31/79/1104633179.db2.gz OIUHPTGTDLNQIK-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624214 1104633183 /nfs/dbraw/zinc/63/31/83/1104633183.db2.gz OIUHPTGTDLNQIK-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001246626246 1104634688 /nfs/dbraw/zinc/63/46/88/1104634688.db2.gz HRWIEOMHXGJKAH-YESZJQIVSA-N 2 1 304.503 3.407 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)C2 ZINC001246631947 1104636580 /nfs/dbraw/zinc/63/65/80/1104636580.db2.gz VFVJENPEUUZBQX-SOLBZPMBSA-N 2 1 304.865 3.129 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246630256 1104637131 /nfs/dbraw/zinc/63/71/31/1104637131.db2.gz HYAIHISTXCYAMZ-VQIMIIECSA-N 2 1 320.427 3.430 20 0 DGADMP CCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001275121537 1104637264 /nfs/dbraw/zinc/63/72/64/1104637264.db2.gz ZAMRROLFVPKQTI-HDICACEKSA-N 2 1 318.509 3.063 20 0 DGADMP CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001275121537 1104637269 /nfs/dbraw/zinc/63/72/69/1104637269.db2.gz ZAMRROLFVPKQTI-HDICACEKSA-N 2 1 318.509 3.063 20 0 DGADMP CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001275121537 1104637273 /nfs/dbraw/zinc/63/72/73/1104637273.db2.gz ZAMRROLFVPKQTI-HDICACEKSA-N 2 1 318.509 3.063 20 0 DGADMP CCCCCC1CCC([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC001246632551 1104637766 /nfs/dbraw/zinc/63/77/66/1104637766.db2.gz XFIZPSAHMOGWKZ-JWHDQAAXSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC001246634714 1104638280 /nfs/dbraw/zinc/63/82/80/1104638280.db2.gz HASKGMRMOQDPLV-RDJZCZTQSA-N 2 1 314.473 3.321 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001246637453 1104640126 /nfs/dbraw/zinc/64/01/26/1104640126.db2.gz YSDVPKGECVNFFJ-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(C1)C[NH2+]CCC3(F)F)CC2 ZINC001246636992 1104640139 /nfs/dbraw/zinc/64/01/39/1104640139.db2.gz IGXRUQWVQQKOIL-ROUUACIJSA-N 2 1 320.427 3.173 20 0 DGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)C2)cc1 ZINC001246638473 1104640856 /nfs/dbraw/zinc/64/08/56/1104640856.db2.gz OVAGNLDQYCXEEZ-VAMGGRTRSA-N 2 1 314.473 3.025 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640718 1104640923 /nfs/dbraw/zinc/64/09/23/1104640923.db2.gz BZHJEDOTDGOTRP-LJQANCHMSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640718 1104640928 /nfs/dbraw/zinc/64/09/28/1104640928.db2.gz BZHJEDOTDGOTRP-LJQANCHMSA-N 2 1 316.489 3.098 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)ccc2c1 ZINC001246645617 1104644393 /nfs/dbraw/zinc/64/43/93/1104644393.db2.gz NSSCFPOFQKPVIR-WNYOCNMUSA-N 2 1 310.441 3.203 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)ccc2c1 ZINC001246645617 1104644395 /nfs/dbraw/zinc/64/43/95/1104644395.db2.gz NSSCFPOFQKPVIR-WNYOCNMUSA-N 2 1 310.441 3.203 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647451 1104645002 /nfs/dbraw/zinc/64/50/02/1104645002.db2.gz SHMIGIUKLQCRQM-IEBWSBKVSA-N 3 1 309.542 3.351 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650873 1104647213 /nfs/dbraw/zinc/64/72/13/1104647213.db2.gz JLSNDVYLFXSMMX-MOPGFXCFSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650873 1104647215 /nfs/dbraw/zinc/64/72/15/1104647215.db2.gz JLSNDVYLFXSMMX-MOPGFXCFSA-N 2 1 302.437 3.291 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649812 1104647345 /nfs/dbraw/zinc/64/73/45/1104647345.db2.gz FOIHBUWGISSFMZ-FXAWDEMLSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649812 1104647349 /nfs/dbraw/zinc/64/73/49/1104647349.db2.gz FOIHBUWGISSFMZ-FXAWDEMLSA-N 2 1 314.473 3.161 20 0 DGADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246669974 1104655709 /nfs/dbraw/zinc/65/57/09/1104655709.db2.gz AWCCKGUEMMGULJ-DFQSSKMNSA-N 2 1 316.489 3.269 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246670455 1104656114 /nfs/dbraw/zinc/65/61/14/1104656114.db2.gz CXPZKFNBMVYNTO-QFUCXCTJSA-N 2 1 324.468 3.464 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246670455 1104656117 /nfs/dbraw/zinc/65/61/17/1104656117.db2.gz CXPZKFNBMVYNTO-QFUCXCTJSA-N 2 1 324.468 3.464 20 0 DGADMP COC(=O)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275158628 1104656061 /nfs/dbraw/zinc/65/60/61/1104656061.db2.gz NEZDXQIFVUTXHT-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP COC(=O)CCC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275158628 1104656066 /nfs/dbraw/zinc/65/60/66/1104656066.db2.gz NEZDXQIFVUTXHT-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP COC(=O)CCC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275158628 1104656072 /nfs/dbraw/zinc/65/60/72/1104656072.db2.gz NEZDXQIFVUTXHT-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP COC(=O)CCC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275158628 1104656077 /nfs/dbraw/zinc/65/60/77/1104656077.db2.gz NEZDXQIFVUTXHT-LJQANCHMSA-N 2 1 322.493 3.060 20 0 DGADMP C1C[NH2+]C[C@H]([C@H]2CCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246675969 1104657367 /nfs/dbraw/zinc/65/73/67/1104657367.db2.gz GFLOPYTTZZMFAM-MSOLQXFVSA-N 3 1 319.537 3.010 20 0 DGADMP CSCC[C@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246685027 1104660614 /nfs/dbraw/zinc/66/06/14/1104660614.db2.gz ZUWVKBLVXUMEPQ-CGTJXYLNSA-N 2 1 304.503 3.207 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246679586 1104660629 /nfs/dbraw/zinc/66/06/29/1104660629.db2.gz WCEMBKQQMBHWMH-APAFKAMOSA-N 3 1 307.526 3.007 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](CC)C[C@H](C)CC)C[C@@H]1CC[NH2+]CC2 ZINC001246683852 1104660682 /nfs/dbraw/zinc/66/06/82/1104660682.db2.gz UXPDJNCJBNVQHU-DFEOGRTESA-N 2 1 324.509 3.066 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246690069 1104662125 /nfs/dbraw/zinc/66/21/25/1104662125.db2.gz JVYPTXDAGLZZSO-KBRIMQKVSA-N 2 1 310.844 3.295 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246698003 1104664443 /nfs/dbraw/zinc/66/44/43/1104664443.db2.gz BMLNBWVSTVPJAA-OAHAVBBTSA-N 2 1 320.521 3.437 20 0 DGADMP C(C1CCOCC1)[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275171147 1104664695 /nfs/dbraw/zinc/66/46/95/1104664695.db2.gz CDBBCILGLFPYQX-IBGZPJMESA-N 2 1 306.494 3.144 20 0 DGADMP C(C1CCOCC1)[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275171147 1104664698 /nfs/dbraw/zinc/66/46/98/1104664698.db2.gz CDBBCILGLFPYQX-IBGZPJMESA-N 2 1 306.494 3.144 20 0 DGADMP C(C1CCOCC1)[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275171147 1104664703 /nfs/dbraw/zinc/66/47/03/1104664703.db2.gz CDBBCILGLFPYQX-IBGZPJMESA-N 2 1 306.494 3.144 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246773535 1104667354 /nfs/dbraw/zinc/66/73/54/1104667354.db2.gz AIROYRVUHSMDGQ-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246773535 1104667358 /nfs/dbraw/zinc/66/73/58/1104667358.db2.gz AIROYRVUHSMDGQ-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)cc1 ZINC001246781490 1104670574 /nfs/dbraw/zinc/67/05/74/1104670574.db2.gz GBBJJKSKAXPVJV-ZMMAXQRCSA-N 2 1 302.462 3.367 20 0 DGADMP C[N@H+](CCOc1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246782209 1104672326 /nfs/dbraw/zinc/67/23/26/1104672326.db2.gz QHSASKDMWZKMEA-AZUAARDMSA-N 2 1 310.441 3.491 20 0 DGADMP C[N@@H+](CCOc1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246782209 1104672331 /nfs/dbraw/zinc/67/23/31/1104672331.db2.gz QHSASKDMWZKMEA-AZUAARDMSA-N 2 1 310.441 3.491 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246783002 1104672559 /nfs/dbraw/zinc/67/25/59/1104672559.db2.gz VEJXIMFPXPQBQG-JSGCOSHPSA-N 2 1 316.367 3.187 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246785598 1104673244 /nfs/dbraw/zinc/67/32/44/1104673244.db2.gz KROQFMLSGKVMCH-DFQSSKMNSA-N 2 1 314.473 3.452 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246784396 1104673278 /nfs/dbraw/zinc/67/32/78/1104673278.db2.gz GGHCVQPOGYVWNW-ZMMAXQRCSA-N 2 1 302.462 3.449 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246787013 1104674735 /nfs/dbraw/zinc/67/47/35/1104674735.db2.gz OZOCIMPIEHMCAV-UJJTZGENSA-N 2 1 300.446 3.121 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246786985 1104674890 /nfs/dbraw/zinc/67/48/90/1104674890.db2.gz OQVWVIUDZDFNER-WMZOPIPTSA-N 2 1 300.446 3.205 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246787014 1104675231 /nfs/dbraw/zinc/67/52/31/1104675231.db2.gz OZOCIMPIEHMCAV-WFFDWFOESA-N 2 1 300.446 3.121 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246791039 1104677915 /nfs/dbraw/zinc/67/79/15/1104677915.db2.gz PQFSZXUZXMPLAT-PMPSAXMXSA-N 2 1 324.509 3.207 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246798345 1104681331 /nfs/dbraw/zinc/68/13/31/1104681331.db2.gz NUGRTGLLMCRKIP-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001275239503 1104686912 /nfs/dbraw/zinc/68/69/12/1104686912.db2.gz CJMNBDMMSXBBHR-CALCHBBNSA-N 2 1 313.445 3.260 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001275239503 1104686918 /nfs/dbraw/zinc/68/69/18/1104686918.db2.gz CJMNBDMMSXBBHR-CALCHBBNSA-N 2 1 313.445 3.260 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001275239503 1104686923 /nfs/dbraw/zinc/68/69/23/1104686923.db2.gz CJMNBDMMSXBBHR-CALCHBBNSA-N 2 1 313.445 3.260 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246812016 1104687505 /nfs/dbraw/zinc/68/75/05/1104687505.db2.gz BUGGBZSKNMWUFM-QGZVFWFLSA-N 2 1 302.462 3.092 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)CCc2cccc(OC)c2)CC[NH2+]1 ZINC001246813651 1104688621 /nfs/dbraw/zinc/68/86/21/1104688621.db2.gz LBRKNZCYCZEXOW-ZWKOTPCHSA-N 2 1 304.478 3.480 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246815103 1104688872 /nfs/dbraw/zinc/68/88/72/1104688872.db2.gz WADYXUUBZNBUGQ-SMDDNHRTSA-N 2 1 313.272 3.392 20 0 DGADMP C[N@H+](CCC(=O)c1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246819646 1104690482 /nfs/dbraw/zinc/69/04/82/1104690482.db2.gz DMIRVBMPKVCQLH-WMZOPIPTSA-N 2 1 302.462 3.358 20 0 DGADMP C[N@@H+](CCC(=O)c1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246819646 1104690485 /nfs/dbraw/zinc/69/04/85/1104690485.db2.gz DMIRVBMPKVCQLH-WMZOPIPTSA-N 2 1 302.462 3.358 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001246822576 1104691934 /nfs/dbraw/zinc/69/19/34/1104691934.db2.gz BZIHSCSWZDPTSK-VDZJLULYSA-N 2 1 302.462 3.134 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246838452 1104699534 /nfs/dbraw/zinc/69/95/34/1104699534.db2.gz CAJMTBKKMMSZQY-DOTOQJQBSA-N 2 1 320.477 3.063 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246841738 1104701210 /nfs/dbraw/zinc/70/12/10/1104701210.db2.gz OAPXWUYAWWTPLS-OEYIWLLWSA-N 2 1 323.278 3.049 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246841738 1104701219 /nfs/dbraw/zinc/70/12/19/1104701219.db2.gz OAPXWUYAWWTPLS-OEYIWLLWSA-N 2 1 323.278 3.049 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC[NH2+]1 ZINC001246840843 1104702090 /nfs/dbraw/zinc/70/20/90/1104702090.db2.gz RMKHKNZOKMMUNI-JQHSSLGASA-N 2 1 320.477 3.063 20 0 DGADMP CC(C)Oc1ccccc1OC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246843130 1104703387 /nfs/dbraw/zinc/70/33/87/1104703387.db2.gz IQMHRFWUCAMMIK-UHFFFAOYSA-N 2 1 318.461 3.069 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246845480 1104705684 /nfs/dbraw/zinc/70/56/84/1104705684.db2.gz JWPAVZDIPSLYSB-WMLDXEAASA-N 2 1 304.434 3.014 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246845480 1104705691 /nfs/dbraw/zinc/70/56/91/1104705691.db2.gz JWPAVZDIPSLYSB-WMLDXEAASA-N 2 1 304.434 3.014 20 0 DGADMP c1ccc([C@H]2CCC[N@H+]([C@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246845673 1104705809 /nfs/dbraw/zinc/70/58/09/1104705809.db2.gz MQMKKBHEOUGELG-DLBZAZTESA-N 2 1 302.487 3.104 20 0 DGADMP C1OCC1[N@H+](C1CC[NH2+]CC1)C1CCC2(CCCCC2)CC1 ZINC001246848307 1104706563 /nfs/dbraw/zinc/70/65/63/1104706563.db2.gz UHRJOVYLGHSTOX-UHFFFAOYSA-N 2 1 306.494 3.332 20 0 DGADMP C1OCC1[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCCCC2)CC1 ZINC001246848307 1104706568 /nfs/dbraw/zinc/70/65/68/1104706568.db2.gz UHRJOVYLGHSTOX-UHFFFAOYSA-N 2 1 306.494 3.332 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246848719 1104706907 /nfs/dbraw/zinc/70/69/07/1104706907.db2.gz DBJQOHSOVWJMJY-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246853497 1104708381 /nfs/dbraw/zinc/70/83/81/1104708381.db2.gz MJIPFKMEXZAHQJ-JKIFEVAISA-N 2 1 308.491 3.493 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853828 1104708949 /nfs/dbraw/zinc/70/89/49/1104708949.db2.gz NPEWEUBTSIMTIP-KFNAQCHYSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246853828 1104708956 /nfs/dbraw/zinc/70/89/56/1104708956.db2.gz NPEWEUBTSIMTIP-KFNAQCHYSA-N 2 1 311.256 3.274 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246853115 1104709464 /nfs/dbraw/zinc/70/94/64/1104709464.db2.gz TVUGCGBCWMPLSE-WBVHZDCISA-N 2 1 308.853 3.325 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246861969 1104710227 /nfs/dbraw/zinc/71/02/27/1104710227.db2.gz SQFOFOLCRTXPNC-NAZJXLNTSA-N 2 1 310.445 3.189 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC001246871156 1104713932 /nfs/dbraw/zinc/71/39/32/1104713932.db2.gz OXDBEMJWPGSVKE-YJBOKZPZSA-N 2 1 302.462 3.090 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CC1 ZINC001246867788 1104715021 /nfs/dbraw/zinc/71/50/21/1104715021.db2.gz JFCACEHXHFPCAT-VMWRSERWSA-N 2 1 307.526 3.089 20 0 DGADMP CCCCCC1CCC([N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)CC1 ZINC001246871911 1104716068 /nfs/dbraw/zinc/71/60/68/1104716068.db2.gz OTNUDQMDBVQLNO-LYBXBRPPSA-N 2 1 321.553 3.480 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246878996 1104717715 /nfs/dbraw/zinc/71/77/15/1104717715.db2.gz UCBANRNTMADRLW-PGYGNJIDSA-N 2 1 314.473 3.407 20 0 DGADMP Nc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246877463 1104718104 /nfs/dbraw/zinc/71/81/04/1104718104.db2.gz BHUFKIQRUGBTCS-VQTJNVASSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246877463 1104718111 /nfs/dbraw/zinc/71/81/11/1104718111.db2.gz BHUFKIQRUGBTCS-VQTJNVASSA-N 2 1 307.441 3.120 20 0 DGADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882249 1104719548 /nfs/dbraw/zinc/71/95/48/1104719548.db2.gz XZXYPBVPSRMJSP-CUDHKJQZSA-N 2 1 316.489 3.053 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246880685 1104719923 /nfs/dbraw/zinc/71/99/23/1104719923.db2.gz KKPZSIKUFBOLDI-ZACQAIPSSA-N 2 1 324.509 3.493 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)ccc2c1 ZINC001246882537 1104720647 /nfs/dbraw/zinc/72/06/47/1104720647.db2.gz RZLVCBITIDAFEM-SIFCLUCFSA-N 2 1 312.457 3.449 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246882533 1104721683 /nfs/dbraw/zinc/72/16/83/1104721683.db2.gz RZKSYWKRETUWKL-HRCADAONSA-N 2 1 324.509 3.349 20 0 DGADMP CC(C)[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)CC(C)(C)O)CC[NH2+]1 ZINC001246888055 1104724234 /nfs/dbraw/zinc/72/42/34/1104724234.db2.gz MTPAUGFVKBTZJD-ZWKOTPCHSA-N 2 1 304.478 3.036 20 0 DGADMP c1csc([C@@H]2CNCC[N@@H+]2C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246887548 1104725008 /nfs/dbraw/zinc/72/50/08/1104725008.db2.gz WQALPDNKQMEMST-PQUAAJSLSA-N 2 1 319.518 3.007 20 0 DGADMP c1csc([C@@H]2C[NH2+]CCN2C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246887548 1104725011 /nfs/dbraw/zinc/72/50/11/1104725011.db2.gz WQALPDNKQMEMST-PQUAAJSLSA-N 2 1 319.518 3.007 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCN(c3cccc4sccc43)CC2)CC[NH2+]1 ZINC001246899195 1104727307 /nfs/dbraw/zinc/72/73/07/1104727307.db2.gz QMLYPGHABJOSGH-LSDHHAIUSA-N 2 1 315.486 3.164 20 0 DGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2c(cccc2OC)C1 ZINC001246900046 1104729196 /nfs/dbraw/zinc/72/91/96/1104729196.db2.gz TUDYAKLWESAYHL-QGZVFWFLSA-N 2 1 302.462 3.017 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246904756 1104730251 /nfs/dbraw/zinc/73/02/51/1104730251.db2.gz YGXYDDPWGWXHRF-BZUAXINKSA-N 2 1 324.509 3.349 20 0 DGADMP Nc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246907405 1104731878 /nfs/dbraw/zinc/73/18/78/1104731878.db2.gz VCDFCPBJKUADGW-WOJBJXKFSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246907405 1104731887 /nfs/dbraw/zinc/73/18/87/1104731887.db2.gz VCDFCPBJKUADGW-WOJBJXKFSA-N 2 1 307.441 3.120 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CCOC3(C[NH2+]C3)C2)cc1C ZINC001246907858 1104732224 /nfs/dbraw/zinc/73/22/24/1104732224.db2.gz JZWXYZUAMBJWQF-MOPGFXCFSA-N 2 1 314.473 3.351 20 0 DGADMP c1ccc(C[N@@H+](C2Cc3ccccc3C2)C2CC[NH2+]CC2)cc1 ZINC001246915717 1104735854 /nfs/dbraw/zinc/73/58/54/1104735854.db2.gz NJALDCJZEOJKDQ-UHFFFAOYSA-N 2 1 306.453 3.408 20 0 DGADMP CC[C@H]1CC([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246918797 1104736867 /nfs/dbraw/zinc/73/68/67/1104736867.db2.gz QJHJVTJRVDDERD-IRXDYDNUSA-N 2 1 316.445 3.098 20 0 DGADMP CC[C@H]1CC([N@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246918797 1104736874 /nfs/dbraw/zinc/73/68/74/1104736874.db2.gz QJHJVTJRVDDERD-IRXDYDNUSA-N 2 1 316.445 3.098 20 0 DGADMP CN([C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246918600 1104737627 /nfs/dbraw/zinc/73/76/27/1104737627.db2.gz LHXAEEHTBRZFRC-VAMGGRTRSA-N 2 1 315.505 3.243 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246917888 1104737673 /nfs/dbraw/zinc/73/76/73/1104737673.db2.gz YFUVCQVYRFJXTL-OTWHNJEPSA-N 2 1 316.489 3.480 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246924080 1104738110 /nfs/dbraw/zinc/73/81/10/1104738110.db2.gz YKUVJYLIOPOQER-UYSNPLJNSA-N 2 1 308.416 3.285 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246925635 1104739672 /nfs/dbraw/zinc/73/96/72/1104739672.db2.gz ZHZFABDFVRUSDO-HKUYNNGSSA-N 2 1 304.478 3.336 20 0 DGADMP C[NH+](C)C1CCC([N@H+](Cc2ccccc2)[C@H]2CCCNC2)CC1 ZINC001246927805 1104740470 /nfs/dbraw/zinc/74/04/70/1104740470.db2.gz XMVYPARQHLGFPZ-MHJFOBGBSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](Cc2ccccc2)[C@H]2CCCNC2)CC1 ZINC001246927805 1104740475 /nfs/dbraw/zinc/74/04/75/1104740475.db2.gz XMVYPARQHLGFPZ-MHJFOBGBSA-N 2 1 315.505 3.113 20 0 DGADMP Clc1cccc2c1CC[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930943 1104741391 /nfs/dbraw/zinc/74/13/91/1104741391.db2.gz KRTFGGLEYGJUEN-OWCLPIDISA-N 2 1 304.865 3.129 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246930098 1104741446 /nfs/dbraw/zinc/74/14/46/1104741446.db2.gz PVGHCEQELCKUHU-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246930097 1104741462 /nfs/dbraw/zinc/74/14/62/1104741462.db2.gz PVGHCEQELCKUHU-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246936348 1104742410 /nfs/dbraw/zinc/74/24/10/1104742410.db2.gz HSNUDHNQDBLBLV-RLLQIKCJSA-N 3 1 319.537 3.153 20 0 DGADMP COC1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246943769 1104746984 /nfs/dbraw/zinc/74/69/84/1104746984.db2.gz RLZBMVJWKIZDOU-XBMUEBEBSA-N 2 1 320.452 3.337 20 0 DGADMP COC1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246943769 1104746988 /nfs/dbraw/zinc/74/69/88/1104746988.db2.gz RLZBMVJWKIZDOU-XBMUEBEBSA-N 2 1 320.452 3.337 20 0 DGADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001246945314 1104747375 /nfs/dbraw/zinc/74/73/75/1104747375.db2.gz LAANCAXIMCVZMM-FHWLQOOXSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246946529 1104747580 /nfs/dbraw/zinc/74/75/80/1104747580.db2.gz QPBFOQLYBCYUDU-SQNIBIBYSA-N 2 1 314.473 3.358 20 0 DGADMP FC(F)(F)Oc1ccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC001246944753 1104747622 /nfs/dbraw/zinc/74/76/22/1104747622.db2.gz CQLLGRULPVSWFN-HNNXBMFYSA-N 2 1 314.351 3.474 20 0 DGADMP CCOCC[N@@H+]([C@@H](CC)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246951329 1104749577 /nfs/dbraw/zinc/74/95/77/1104749577.db2.gz UIOAVAAZMBHBDJ-SFHVURJKSA-N 2 1 304.478 3.098 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246949825 1104749966 /nfs/dbraw/zinc/74/99/66/1104749966.db2.gz QRNBSRLUHOJJHV-RTBURBONSA-N 2 1 315.505 3.202 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951367 1104750151 /nfs/dbraw/zinc/75/01/51/1104750151.db2.gz HXZJRQDPEORDNG-QYZOEREBSA-N 2 1 320.452 3.337 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951367 1104750156 /nfs/dbraw/zinc/75/01/56/1104750156.db2.gz HXZJRQDPEORDNG-QYZOEREBSA-N 2 1 320.452 3.337 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246949823 1104750295 /nfs/dbraw/zinc/75/02/95/1104750295.db2.gz QRNBSRLUHOJJHV-RBUKOAKNSA-N 2 1 315.505 3.202 20 0 DGADMP C[C@H]1CC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246950620 1104750378 /nfs/dbraw/zinc/75/03/78/1104750378.db2.gz BKZOLBKWZYXTCH-MPGHIAIKSA-N 2 1 320.452 3.336 20 0 DGADMP C[C@H]1CC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246950620 1104750381 /nfs/dbraw/zinc/75/03/81/1104750381.db2.gz BKZOLBKWZYXTCH-MPGHIAIKSA-N 2 1 320.452 3.336 20 0 DGADMP CC(C)CN([C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246952756 1104750962 /nfs/dbraw/zinc/75/09/62/1104750962.db2.gz NDBMQNIZRYGJDK-MOPGFXCFSA-N 2 1 307.526 3.103 20 0 DGADMP CCC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246956689 1104752401 /nfs/dbraw/zinc/75/24/01/1104752401.db2.gz GZAWFAXVSANKGF-HNNXBMFYSA-N 2 1 318.461 3.216 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC001246961970 1104752525 /nfs/dbraw/zinc/75/25/25/1104752525.db2.gz CIIQRJWQWHTNAA-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1ccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246957042 1104752777 /nfs/dbraw/zinc/75/27/77/1104752777.db2.gz XGFPIQKALAQAHO-HALDLXJZSA-N 2 1 306.400 3.317 20 0 DGADMP Fc1ccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246957042 1104752781 /nfs/dbraw/zinc/75/27/81/1104752781.db2.gz XGFPIQKALAQAHO-HALDLXJZSA-N 2 1 306.400 3.317 20 0 DGADMP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CSC3(C[NH2+]C3)C2)c1C ZINC001246966650 1104753667 /nfs/dbraw/zinc/75/36/67/1104753667.db2.gz LQPBLOPAAOUZHC-QGZVFWFLSA-N 2 1 302.487 3.115 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246967198 1104754996 /nfs/dbraw/zinc/75/49/96/1104754996.db2.gz LTGFTSGQNUJBNX-NXHRZFHOSA-N 2 1 317.477 3.092 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C2)c1 ZINC001246968499 1104755313 /nfs/dbraw/zinc/75/53/13/1104755313.db2.gz QCEIFXLAXZHCCS-KZNAEPCWSA-N 2 1 317.477 3.010 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ncccc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246972840 1104756558 /nfs/dbraw/zinc/75/65/58/1104756558.db2.gz JOZOZSWTZYULOQ-MHORFTMASA-N 2 1 317.477 3.152 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccncc3C)C2)CC[NH2+]1 ZINC001246974039 1104756767 /nfs/dbraw/zinc/75/67/67/1104756767.db2.gz POJNWXNYWQUORS-KURKYZTESA-N 2 1 317.477 3.154 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974332 1104756885 /nfs/dbraw/zinc/75/68/85/1104756885.db2.gz RCEBAJISWJZAHR-CXAGYDPISA-N 2 1 320.864 3.108 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974332 1104756890 /nfs/dbraw/zinc/75/68/90/1104756890.db2.gz RCEBAJISWJZAHR-CXAGYDPISA-N 2 1 320.864 3.108 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972677 1104757265 /nfs/dbraw/zinc/75/72/65/1104757265.db2.gz LJYATGMBNRYSOP-DYVFJYSZSA-N 2 1 320.427 3.286 20 0 DGADMP CC(C)CN1CCC([NH+]2CCC(CC3CC[NH2+]CC3)CC2)CC1 ZINC001246976854 1104759838 /nfs/dbraw/zinc/75/98/38/1104759838.db2.gz BPKHKNNUPAJHRA-UHFFFAOYSA-N 2 1 321.553 3.209 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246978914 1104760230 /nfs/dbraw/zinc/76/02/30/1104760230.db2.gz KBISTVNKHSIMQJ-BHIYHBOVSA-N 2 1 318.436 3.201 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N([C@H]3CC[NH2+]C3)C3CCCCC3)C2)C1 ZINC001246980969 1104761430 /nfs/dbraw/zinc/76/14/30/1104761430.db2.gz VDMATBBODXPRGL-PMACEKPBSA-N 2 1 319.537 3.390 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246980283 1104761524 /nfs/dbraw/zinc/76/15/24/1104761524.db2.gz RFRUAYJGGSFKCM-AEFFLSMTSA-N 2 1 318.436 3.201 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275443906 1104762094 /nfs/dbraw/zinc/76/20/94/1104762094.db2.gz OECVWFFNWZCRSN-IBGZPJMESA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275443906 1104762097 /nfs/dbraw/zinc/76/20/97/1104762097.db2.gz OECVWFFNWZCRSN-IBGZPJMESA-N 2 1 301.478 3.060 20 0 DGADMP CN(C)c1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275443906 1104762102 /nfs/dbraw/zinc/76/21/02/1104762102.db2.gz OECVWFFNWZCRSN-IBGZPJMESA-N 2 1 301.478 3.060 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](C2CCC2)[C@H]2CCCNC2)CC1 ZINC001246986976 1104763935 /nfs/dbraw/zinc/76/39/35/1104763935.db2.gz MAECXSWGWQCJRC-KVZIAJEVSA-N 2 1 307.526 3.246 20 0 DGADMP CC[NH+](CC)C1CCC(N(C2CCC2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246986976 1104763941 /nfs/dbraw/zinc/76/39/41/1104763941.db2.gz MAECXSWGWQCJRC-KVZIAJEVSA-N 2 1 307.526 3.246 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246994400 1104768084 /nfs/dbraw/zinc/76/80/84/1104768084.db2.gz PTEHZICPBMCUGC-LTCOOKNTSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2C2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246994397 1104768193 /nfs/dbraw/zinc/76/81/93/1104768193.db2.gz PTEHZICPBMCUGC-DEYYWGMASA-N 2 1 316.445 3.139 20 0 DGADMP C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246999522 1104770508 /nfs/dbraw/zinc/77/05/08/1104770508.db2.gz JUJNCMXLTXUFEC-QPIRBTGLSA-N 2 1 314.473 3.234 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc([Si](C)(C)C)cc1)CC2 ZINC001275476570 1104771686 /nfs/dbraw/zinc/77/16/86/1104771686.db2.gz BOUUZONKZWXTOT-UHFFFAOYSA-N 2 1 316.565 3.150 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001247001227 1104771749 /nfs/dbraw/zinc/77/17/49/1104771749.db2.gz ZDIGYALPFMARPL-DNVCBOLYSA-N 2 1 302.437 3.248 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001247001168 1104771912 /nfs/dbraw/zinc/77/19/12/1104771912.db2.gz JNZLELHKVACKFI-OEYIWLLWSA-N 2 1 323.278 3.440 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003041 1104772774 /nfs/dbraw/zinc/77/27/74/1104772774.db2.gz MPZGTTMAQKYXLW-IYDIDCQVSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003041 1104772779 /nfs/dbraw/zinc/77/27/79/1104772779.db2.gz MPZGTTMAQKYXLW-IYDIDCQVSA-N 2 1 305.853 3.064 20 0 DGADMP C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001247003651 1104773133 /nfs/dbraw/zinc/77/31/33/1104773133.db2.gz XFWAHJRZHQVJTA-GOSISDBHSA-N 2 1 314.473 3.234 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247002016 1104773355 /nfs/dbraw/zinc/77/33/55/1104773355.db2.gz KJVIPRUVMWRGBE-MSOLQXFVSA-N 2 1 314.473 3.081 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCO1 ZINC001247007377 1104774260 /nfs/dbraw/zinc/77/42/60/1104774260.db2.gz WIFOPJOGHWGSDE-QZTJIDSGSA-N 2 1 314.473 3.081 20 0 DGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001247006389 1104774334 /nfs/dbraw/zinc/77/43/34/1104774334.db2.gz UFYBMCZWTKDLFF-BZUAXINKSA-N 2 1 319.468 3.033 20 0 DGADMP Clc1ccc2c(c1)[C@H]1C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008963 1104776094 /nfs/dbraw/zinc/77/60/94/1104776094.db2.gz ZTZWSRSZHAOHQC-WRQHKEJMSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@H]1C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]1N2 ZINC001247008963 1104776099 /nfs/dbraw/zinc/77/60/99/1104776099.db2.gz ZTZWSRSZHAOHQC-WRQHKEJMSA-N 2 1 317.864 3.206 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC3(CCNc4ccccc43)CC2)CC1 ZINC001247012889 1104777182 /nfs/dbraw/zinc/77/71/82/1104777182.db2.gz WFEVMCBHSZXEAY-UHFFFAOYSA-N 2 1 313.489 3.320 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001247017181 1104779413 /nfs/dbraw/zinc/77/94/13/1104779413.db2.gz RWUQXFIGVHHGFF-ZIEJDFEHSA-N 2 1 323.278 3.440 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Br)o3)(C1)CCC2 ZINC001275678206 1104860217 /nfs/dbraw/zinc/86/02/17/1104860217.db2.gz SXMVGZXOTGJOCQ-UONOGXRCSA-N 2 1 313.239 3.197 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)cc(Cl)cc3F)C[C@H]2CC1 ZINC001275717960 1104878523 /nfs/dbraw/zinc/87/85/23/1104878523.db2.gz KTUFXMSDLIWGGV-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)cc(Cl)cc3F)C[C@H]2CC1 ZINC001275717960 1104878528 /nfs/dbraw/zinc/87/85/28/1104878528.db2.gz KTUFXMSDLIWGGV-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)cc(Cl)cc3F)C[C@H]2CC1 ZINC001275717960 1104878531 /nfs/dbraw/zinc/87/85/31/1104878531.db2.gz KTUFXMSDLIWGGV-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(O)c1)Cc1ccccc12 ZINC001275815920 1104919269 /nfs/dbraw/zinc/91/92/69/1104919269.db2.gz MAQAFHGQZPRJTO-UHFFFAOYSA-N 2 1 322.452 3.371 20 0 DGADMP Fc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001275828427 1104923823 /nfs/dbraw/zinc/92/38/23/1104923823.db2.gz AIBVOBKTNNSFMY-UHFFFAOYSA-N 2 1 313.420 3.252 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001275853777 1104933482 /nfs/dbraw/zinc/93/34/82/1104933482.db2.gz VAHFXXSFTVLDIV-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001275853777 1104933487 /nfs/dbraw/zinc/93/34/87/1104933487.db2.gz VAHFXXSFTVLDIV-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001275853777 1104933491 /nfs/dbraw/zinc/93/34/91/1104933491.db2.gz VAHFXXSFTVLDIV-KDURUIRLSA-N 2 1 313.489 3.476 20 0 DGADMP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](Cc2cccs2)CC3)c1 ZINC001275858478 1104933635 /nfs/dbraw/zinc/93/36/35/1104933635.db2.gz ZESMEHFSHNXEES-UHFFFAOYSA-N 2 1 301.459 3.174 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1)Cc1ccccc12 ZINC001275885038 1104943912 /nfs/dbraw/zinc/94/39/12/1104943912.db2.gz UCUHEFWKEAOSQG-UHFFFAOYSA-N 2 1 307.441 3.061 20 0 DGADMP Oc1ccc(F)c(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001275905495 1104950322 /nfs/dbraw/zinc/95/03/22/1104950322.db2.gz ASCUPRLAXFKPIX-UHFFFAOYSA-N 2 1 318.436 3.372 20 0 DGADMP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1 ZINC001275912092 1104954177 /nfs/dbraw/zinc/95/41/77/1104954177.db2.gz LBCIHBSMCFLOMH-UXHICEINSA-N 2 1 315.505 3.081 20 0 DGADMP C[C@H]1CC(C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)C[C@H](C)O1 ZINC001276017855 1104989297 /nfs/dbraw/zinc/98/92/97/1104989297.db2.gz GANIEKMHRXEIQV-HOTGVXAUSA-N 2 1 306.494 3.140 20 0 DGADMP C[C@H]1CC(C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)C[C@H](C)O1 ZINC001276017855 1104989300 /nfs/dbraw/zinc/98/93/00/1104989300.db2.gz GANIEKMHRXEIQV-HOTGVXAUSA-N 2 1 306.494 3.140 20 0 DGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276032196 1104992694 /nfs/dbraw/zinc/99/26/94/1104992694.db2.gz MOMKTTYKSDLKGX-SJORKVTESA-N 2 1 301.478 3.349 20 0 DGADMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)[nH]1 ZINC001276072078 1105008536 /nfs/dbraw/zinc/00/85/36/1105008536.db2.gz MXZDJHFTYNRLBO-UHFFFAOYSA-N 2 1 309.457 3.302 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccc3N)CC2)C1 ZINC001276105452 1105017484 /nfs/dbraw/zinc/01/74/84/1105017484.db2.gz FGGLAFYVMVGNOF-UHFFFAOYSA-N 2 1 307.869 3.230 20 0 DGADMP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276196922 1105045290 /nfs/dbraw/zinc/04/52/90/1105045290.db2.gz DVWFQXZSGYVFPV-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276196922 1105045294 /nfs/dbraw/zinc/04/52/94/1105045294.db2.gz DVWFQXZSGYVFPV-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276196922 1105045298 /nfs/dbraw/zinc/04/52/98/1105045298.db2.gz DVWFQXZSGYVFPV-HDICACEKSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1cc(C)cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1 ZINC001248194301 1105065960 /nfs/dbraw/zinc/06/59/60/1105065960.db2.gz ILGFUICRWXLZER-HNNXBMFYSA-N 2 1 302.422 3.085 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1ccncc1 ZINC001276266966 1105067689 /nfs/dbraw/zinc/06/76/89/1105067689.db2.gz KTMZIAHMWONWBJ-YQQQUEKLSA-N 2 1 307.441 3.463 20 0 DGADMP c1nc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cs1 ZINC001276280695 1105075286 /nfs/dbraw/zinc/07/52/86/1105075286.db2.gz NVJUHPUFIWZXCL-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP Fc1cnccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276297651 1105082624 /nfs/dbraw/zinc/08/26/24/1105082624.db2.gz OZAAJRSMCOJVMY-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276297651 1105082629 /nfs/dbraw/zinc/08/26/29/1105082629.db2.gz OZAAJRSMCOJVMY-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276297651 1105082633 /nfs/dbraw/zinc/08/26/33/1105082633.db2.gz OZAAJRSMCOJVMY-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001257384779 1105132737 /nfs/dbraw/zinc/13/27/37/1105132737.db2.gz ATNBVJSZKBEGGD-MRXNPFEDSA-N 2 1 312.498 3.482 20 0 DGADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2c1ccnc2Cl ZINC001248836968 1105175705 /nfs/dbraw/zinc/17/57/05/1105175705.db2.gz KFISPGWKSVKTEM-UHFFFAOYSA-N 2 1 320.868 3.000 20 0 DGADMP Cc1cccc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)c1Cl ZINC001248895200 1105188991 /nfs/dbraw/zinc/18/89/91/1105188991.db2.gz BHYZOUQQDCEXHB-CYBMUJFWSA-N 2 1 320.824 3.088 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000469884389 1105295689 /nfs/dbraw/zinc/29/56/89/1105295689.db2.gz NGHCSFVNUVUXAJ-WDSOQIARSA-N 2 1 302.462 3.425 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001250251944 1105481182 /nfs/dbraw/zinc/48/11/82/1105481182.db2.gz YJLLSVLOVODDLK-UHFFFAOYSA-N 2 1 306.425 3.060 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@H]2CC1 ZINC001276390739 1105559420 /nfs/dbraw/zinc/55/94/20/1105559420.db2.gz LTQBQKFYENGBTR-IYBDPMFKSA-N 2 1 310.441 3.319 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@H]2CC1 ZINC001276390739 1105559426 /nfs/dbraw/zinc/55/94/26/1105559426.db2.gz LTQBQKFYENGBTR-IYBDPMFKSA-N 2 1 310.441 3.319 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(O)c4ccccc34)C[C@H]2CC1 ZINC001276390739 1105559431 /nfs/dbraw/zinc/55/94/31/1105559431.db2.gz LTQBQKFYENGBTR-IYBDPMFKSA-N 2 1 310.441 3.319 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(c2cccc3ccccc32)CC1 ZINC001253211954 1105903395 /nfs/dbraw/zinc/90/33/95/1105903395.db2.gz FUJNDKSBVGUDJE-KRWDZBQOSA-N 2 1 312.457 3.121 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1cccc(F)c1 ZINC001253210476 1105903578 /nfs/dbraw/zinc/90/35/78/1105903578.db2.gz NQJZJBAJOLEFGN-ZWKOTPCHSA-N 2 1 310.457 3.205 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccc(F)cc1 ZINC001253210845 1105904011 /nfs/dbraw/zinc/90/40/11/1105904011.db2.gz PEGIFGMCTPJWSG-ZWKOTPCHSA-N 2 1 310.457 3.205 20 0 DGADMP C[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253396368 1105934416 /nfs/dbraw/zinc/93/44/16/1105934416.db2.gz XZXZNFWPPLUOJM-GOSISDBHSA-N 2 1 300.446 3.021 20 0 DGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253396368 1105934421 /nfs/dbraw/zinc/93/44/21/1105934421.db2.gz XZXZNFWPPLUOJM-GOSISDBHSA-N 2 1 300.446 3.021 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1cccc(F)c1 ZINC001253411386 1105937368 /nfs/dbraw/zinc/93/73/68/1105937368.db2.gz KDSISVLSPXRTGH-IRXDYDNUSA-N 2 1 308.441 3.006 20 0 DGADMP CC(C)[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001253759374 1105981288 /nfs/dbraw/zinc/98/12/88/1105981288.db2.gz KASWGXRIWHIVQX-QGZVFWFLSA-N 2 1 322.518 3.053 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254029873 1106011519 /nfs/dbraw/zinc/01/15/19/1106011519.db2.gz QKLSLTKFMACDKR-HDICACEKSA-N 2 1 316.489 3.276 20 0 DGADMP CCC[N@@H+](CC(C)C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254041680 1106013153 /nfs/dbraw/zinc/01/31/53/1106013153.db2.gz OGOISXLYKJLFAU-UHFFFAOYSA-N 2 1 318.505 3.382 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOC1 ZINC001254372957 1106062284 /nfs/dbraw/zinc/06/22/84/1106062284.db2.gz RNIMFOKVDVTVFM-GUDVDZBRSA-N 2 1 302.462 3.246 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254381871 1106062712 /nfs/dbraw/zinc/06/27/12/1106062712.db2.gz YHNYMIKKPGIHLA-FUHWJXTLSA-N 2 1 318.461 3.135 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001254499484 1106083372 /nfs/dbraw/zinc/08/33/72/1106083372.db2.gz HEARBXAZTWNCAB-AWEZNQCLSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001254499484 1106083377 /nfs/dbraw/zinc/08/33/77/1106083377.db2.gz HEARBXAZTWNCAB-AWEZNQCLSA-N 2 1 304.331 3.418 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1C(F)(F)F ZINC001254502025 1106083748 /nfs/dbraw/zinc/08/37/48/1106083748.db2.gz BBKGNAJKYWKEDL-CYBMUJFWSA-N 2 1 316.367 3.288 20 0 DGADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254508155 1106086892 /nfs/dbraw/zinc/08/68/92/1106086892.db2.gz HHRFAHKXCUESFZ-HOTGVXAUSA-N 2 1 312.498 3.207 20 0 DGADMP CCc1cc2c(cc1CC)CC([NH2+][C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254509911 1106086932 /nfs/dbraw/zinc/08/69/32/1106086932.db2.gz JYIFNFPNXQVEKG-IBGZPJMESA-N 2 1 300.490 3.353 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254515997 1106088060 /nfs/dbraw/zinc/08/80/60/1106088060.db2.gz IJMPTQNEOQBUDK-SFHVURJKSA-N 2 1 318.436 3.205 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254515997 1106088065 /nfs/dbraw/zinc/08/80/65/1106088065.db2.gz IJMPTQNEOQBUDK-SFHVURJKSA-N 2 1 318.436 3.205 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254515996 1106088200 /nfs/dbraw/zinc/08/82/00/1106088200.db2.gz IJMPTQNEOQBUDK-GOSISDBHSA-N 2 1 318.436 3.205 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254515996 1106088205 /nfs/dbraw/zinc/08/82/05/1106088205.db2.gz IJMPTQNEOQBUDK-GOSISDBHSA-N 2 1 318.436 3.205 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001254512390 1106088413 /nfs/dbraw/zinc/08/84/13/1106088413.db2.gz MSVNNNSJOJLOPO-QGZVFWFLSA-N 2 1 322.880 3.420 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCCCC2)CC1 ZINC001254513673 1106089241 /nfs/dbraw/zinc/08/92/41/1106089241.db2.gz FUCQYGUNFMVRMV-INIZCTEOSA-N 2 1 324.509 3.353 20 0 DGADMP Cc1ccc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254523026 1106090364 /nfs/dbraw/zinc/09/03/64/1106090364.db2.gz LVEGNMFYCXAUIJ-MJGOQNOKSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523026 1106090371 /nfs/dbraw/zinc/09/03/71/1106090371.db2.gz LVEGNMFYCXAUIJ-MJGOQNOKSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254523026 1106090378 /nfs/dbraw/zinc/09/03/78/1106090378.db2.gz LVEGNMFYCXAUIJ-MJGOQNOKSA-N 2 1 302.462 3.323 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254526980 1106093233 /nfs/dbraw/zinc/09/32/33/1106093233.db2.gz VBCIPXHMXWXDIR-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254526980 1106093238 /nfs/dbraw/zinc/09/32/38/1106093238.db2.gz VBCIPXHMXWXDIR-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526980 1106093244 /nfs/dbraw/zinc/09/32/44/1106093244.db2.gz VBCIPXHMXWXDIR-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254524392 1106093454 /nfs/dbraw/zinc/09/34/54/1106093454.db2.gz WLFOBKQDQWMMSV-MSOLQXFVSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524392 1106093458 /nfs/dbraw/zinc/09/34/58/1106093458.db2.gz WLFOBKQDQWMMSV-MSOLQXFVSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524392 1106093462 /nfs/dbraw/zinc/09/34/62/1106093462.db2.gz WLFOBKQDQWMMSV-MSOLQXFVSA-N 2 1 302.462 3.323 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254530450 1106094317 /nfs/dbraw/zinc/09/43/17/1106094317.db2.gz YMICWRQXWZDCOP-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254530450 1106094320 /nfs/dbraw/zinc/09/43/20/1106094320.db2.gz YMICWRQXWZDCOP-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)cc1 ZINC001254530450 1106094323 /nfs/dbraw/zinc/09/43/23/1106094323.db2.gz YMICWRQXWZDCOP-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC001254528212 1106094873 /nfs/dbraw/zinc/09/48/73/1106094873.db2.gz DETFPCNYUGVYOI-SFHVURJKSA-N 2 1 314.473 3.331 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254531062 1106095117 /nfs/dbraw/zinc/09/51/17/1106095117.db2.gz CGFOWJSQAAVJJG-ROUUACIJSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254531062 1106095119 /nfs/dbraw/zinc/09/51/19/1106095119.db2.gz CGFOWJSQAAVJJG-ROUUACIJSA-N 2 1 316.445 3.094 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254531062 1106095122 /nfs/dbraw/zinc/09/51/22/1106095122.db2.gz CGFOWJSQAAVJJG-ROUUACIJSA-N 2 1 316.445 3.094 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC001254528211 1106095200 /nfs/dbraw/zinc/09/52/00/1106095200.db2.gz DETFPCNYUGVYOI-GOSISDBHSA-N 2 1 314.473 3.331 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3CCOCC3)C[C@@H]21 ZINC001255040629 1106171439 /nfs/dbraw/zinc/17/14/39/1106171439.db2.gz BIEWVURLLHQCDL-UFYCRDLUSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]21 ZINC001255040629 1106171441 /nfs/dbraw/zinc/17/14/41/1106171441.db2.gz BIEWVURLLHQCDL-UFYCRDLUSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]21 ZINC001255040629 1106171442 /nfs/dbraw/zinc/17/14/42/1106171442.db2.gz BIEWVURLLHQCDL-UFYCRDLUSA-N 2 1 314.473 3.276 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255089041 1106176234 /nfs/dbraw/zinc/17/62/34/1106176234.db2.gz LRSZSYATROSVMK-HDICACEKSA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255089041 1106176238 /nfs/dbraw/zinc/17/62/38/1106176238.db2.gz LRSZSYATROSVMK-HDICACEKSA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255089041 1106176241 /nfs/dbraw/zinc/17/62/41/1106176241.db2.gz LRSZSYATROSVMK-HDICACEKSA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255089041 1106176244 /nfs/dbraw/zinc/17/62/44/1106176244.db2.gz LRSZSYATROSVMK-HDICACEKSA-N 2 1 316.514 3.254 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122360 1106183690 /nfs/dbraw/zinc/18/36/90/1106183690.db2.gz NZPVQOXCVPBQRS-MTEHYEEQSA-N 2 1 314.473 3.197 20 0 DGADMP CC1(C)C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001255125796 1106184779 /nfs/dbraw/zinc/18/47/79/1106184779.db2.gz FZGQLYFDIAHSFF-OKYOBFRVSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H]([NH3+])c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255127738 1106184883 /nfs/dbraw/zinc/18/48/83/1106184883.db2.gz CDWCKFYKYWPTKP-DZJNRPSUSA-N 2 1 310.445 3.271 20 0 DGADMP Cc1ncn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001255124751 1106184969 /nfs/dbraw/zinc/18/49/69/1106184969.db2.gz NQBYVJBTTVDVHD-BWTSREIZSA-N 2 1 324.472 3.061 20 0 DGADMP [NH3+]CCc1cccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129536 1106186036 /nfs/dbraw/zinc/18/60/36/1106186036.db2.gz GPMRFYXSBBEPME-ACDBMABISA-N 2 1 309.457 3.357 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001255136347 1106187465 /nfs/dbraw/zinc/18/74/65/1106187465.db2.gz JYXDDRCKUOXTSQ-FTWQHDNSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001255136347 1106187466 /nfs/dbraw/zinc/18/74/66/1106187466.db2.gz JYXDDRCKUOXTSQ-FTWQHDNSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001255136347 1106187468 /nfs/dbraw/zinc/18/74/68/1106187468.db2.gz JYXDDRCKUOXTSQ-FTWQHDNSSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001255136347 1106187469 /nfs/dbraw/zinc/18/74/69/1106187469.db2.gz JYXDDRCKUOXTSQ-FTWQHDNSSA-N 2 1 302.437 3.472 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136355 1106187489 /nfs/dbraw/zinc/18/74/89/1106187489.db2.gz JZMHOOFMHGUGBG-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136355 1106187492 /nfs/dbraw/zinc/18/74/92/1106187492.db2.gz JZMHOOFMHGUGBG-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136355 1106187494 /nfs/dbraw/zinc/18/74/94/1106187494.db2.gz JZMHOOFMHGUGBG-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136355 1106187496 /nfs/dbraw/zinc/18/74/96/1106187496.db2.gz JZMHOOFMHGUGBG-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136359 1106188446 /nfs/dbraw/zinc/18/84/46/1106188446.db2.gz JZMHOOFMHGUGBG-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136359 1106188448 /nfs/dbraw/zinc/18/84/48/1106188448.db2.gz JZMHOOFMHGUGBG-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136359 1106188449 /nfs/dbraw/zinc/18/84/49/1106188449.db2.gz JZMHOOFMHGUGBG-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136359 1106188451 /nfs/dbraw/zinc/18/84/51/1106188451.db2.gz JZMHOOFMHGUGBG-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP CC(C)[N@H+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142299 1106188885 /nfs/dbraw/zinc/18/88/85/1106188885.db2.gz BXHVHPJNWYDYLC-PMOLBWCYSA-N 2 1 316.489 3.275 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142299 1106188891 /nfs/dbraw/zinc/18/88/91/1106188891.db2.gz BXHVHPJNWYDYLC-PMOLBWCYSA-N 2 1 316.489 3.275 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142299 1106188895 /nfs/dbraw/zinc/18/88/95/1106188895.db2.gz BXHVHPJNWYDYLC-PMOLBWCYSA-N 2 1 316.489 3.275 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142299 1106188900 /nfs/dbraw/zinc/18/89/00/1106188900.db2.gz BXHVHPJNWYDYLC-PMOLBWCYSA-N 2 1 316.489 3.275 20 0 DGADMP CC(C)[N@H+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142298 1106188975 /nfs/dbraw/zinc/18/89/75/1106188975.db2.gz BXHVHPJNWYDYLC-ACDBMABISA-N 2 1 316.489 3.275 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142298 1106188977 /nfs/dbraw/zinc/18/89/77/1106188977.db2.gz BXHVHPJNWYDYLC-ACDBMABISA-N 2 1 316.489 3.275 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142298 1106188982 /nfs/dbraw/zinc/18/89/82/1106188982.db2.gz BXHVHPJNWYDYLC-ACDBMABISA-N 2 1 316.489 3.275 20 0 DGADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142298 1106188984 /nfs/dbraw/zinc/18/89/84/1106188984.db2.gz BXHVHPJNWYDYLC-ACDBMABISA-N 2 1 316.489 3.275 20 0 DGADMP C[C@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255145764 1106189194 /nfs/dbraw/zinc/18/91/94/1106189194.db2.gz UEUUTRMCAFJMMJ-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255145764 1106189197 /nfs/dbraw/zinc/18/91/97/1106189197.db2.gz UEUUTRMCAFJMMJ-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145764 1106189200 /nfs/dbraw/zinc/18/92/00/1106189200.db2.gz UEUUTRMCAFJMMJ-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148929 1106190846 /nfs/dbraw/zinc/19/08/46/1106190846.db2.gz DISKZXAZFKEMJY-NMLBUPMWSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148929 1106190849 /nfs/dbraw/zinc/19/08/49/1106190849.db2.gz DISKZXAZFKEMJY-NMLBUPMWSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148929 1106190852 /nfs/dbraw/zinc/19/08/52/1106190852.db2.gz DISKZXAZFKEMJY-NMLBUPMWSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148929 1106190854 /nfs/dbraw/zinc/19/08/54/1106190854.db2.gz DISKZXAZFKEMJY-NMLBUPMWSA-N 2 1 312.457 3.047 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151368 1106191918 /nfs/dbraw/zinc/19/19/18/1106191918.db2.gz XMLMZRHUCRVXHM-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151368 1106191920 /nfs/dbraw/zinc/19/19/20/1106191920.db2.gz XMLMZRHUCRVXHM-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151368 1106191923 /nfs/dbraw/zinc/19/19/23/1106191923.db2.gz XMLMZRHUCRVXHM-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@@H]2CCSC2)CC1 ZINC001255275103 1106214263 /nfs/dbraw/zinc/21/42/63/1106214263.db2.gz GQZPYBMXJUMWFL-BZUAXINKSA-N 2 1 308.466 3.403 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCSC2)CC1 ZINC001255280000 1106214718 /nfs/dbraw/zinc/21/47/18/1106214718.db2.gz TZUPYBGWADQDRR-BRWVUGGUSA-N 2 1 308.466 3.403 20 0 DGADMP COc1cccc(C[N@@H+]([C@@H]2CCSC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255279710 1106214730 /nfs/dbraw/zinc/21/47/30/1106214730.db2.gz RKJROTLAIOWPFS-BRWVUGGUSA-N 2 1 320.502 3.273 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001255356457 1106231670 /nfs/dbraw/zinc/23/16/70/1106231670.db2.gz JJCQQEWREOXPMS-AEFFLSMTSA-N 2 1 322.493 3.059 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255374788 1106235706 /nfs/dbraw/zinc/23/57/06/1106235706.db2.gz CELKRXSBGYDXPP-NHCUHLMSSA-N 2 1 324.468 3.364 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389360 1106239904 /nfs/dbraw/zinc/23/99/04/1106239904.db2.gz LTSDKVNDZJWNBA-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@]1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H](O)CC1 ZINC001255395477 1106240817 /nfs/dbraw/zinc/24/08/17/1106240817.db2.gz AUFKCILGGCDQLA-UFYCRDLUSA-N 2 1 316.489 3.324 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255392857 1106241336 /nfs/dbraw/zinc/24/13/36/1106241336.db2.gz IZEHXBSTQGIGMK-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CCN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392857 1106241340 /nfs/dbraw/zinc/24/13/40/1106241340.db2.gz IZEHXBSTQGIGMK-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CCN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392857 1106241343 /nfs/dbraw/zinc/24/13/43/1106241343.db2.gz IZEHXBSTQGIGMK-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255392857 1106241350 /nfs/dbraw/zinc/24/13/50/1106241350.db2.gz IZEHXBSTQGIGMK-PMACEKPBSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255392857 1106241354 /nfs/dbraw/zinc/24/13/54/1106241354.db2.gz IZEHXBSTQGIGMK-PMACEKPBSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392857 1106241358 /nfs/dbraw/zinc/24/13/58/1106241358.db2.gz IZEHXBSTQGIGMK-PMACEKPBSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@H]1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392857 1106241364 /nfs/dbraw/zinc/24/13/64/1106241364.db2.gz IZEHXBSTQGIGMK-PMACEKPBSA-N 3 1 315.505 3.115 20 0 DGADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393285 1106241583 /nfs/dbraw/zinc/24/15/83/1106241583.db2.gz NBCCLCZIIMPAIR-PKOBYXMFSA-N 2 1 324.472 3.052 20 0 DGADMP C[C@]1(O)CCCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399417 1106242535 /nfs/dbraw/zinc/24/25/35/1106242535.db2.gz RQKYZTQADVCVHE-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399417 1106242538 /nfs/dbraw/zinc/24/25/38/1106242538.db2.gz RQKYZTQADVCVHE-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399417 1106242542 /nfs/dbraw/zinc/24/25/42/1106242542.db2.gz RQKYZTQADVCVHE-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401684 1106244799 /nfs/dbraw/zinc/24/47/99/1106244799.db2.gz WICDWIGLKCGIJX-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401684 1106244802 /nfs/dbraw/zinc/24/48/02/1106244802.db2.gz WICDWIGLKCGIJX-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401684 1106244805 /nfs/dbraw/zinc/24/48/05/1106244805.db2.gz WICDWIGLKCGIJX-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255401684 1106244809 /nfs/dbraw/zinc/24/48/09/1106244809.db2.gz WICDWIGLKCGIJX-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255407893 1106246467 /nfs/dbraw/zinc/24/64/67/1106246467.db2.gz FMLUJCFVMWSARB-UFYCRDLUSA-N 2 1 314.473 3.294 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255407893 1106246470 /nfs/dbraw/zinc/24/64/70/1106246470.db2.gz FMLUJCFVMWSARB-UFYCRDLUSA-N 2 1 314.473 3.294 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255407893 1106246471 /nfs/dbraw/zinc/24/64/71/1106246471.db2.gz FMLUJCFVMWSARB-UFYCRDLUSA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409367 1106246968 /nfs/dbraw/zinc/24/69/68/1106246968.db2.gz WICDWIGLKCGIJX-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409367 1106246974 /nfs/dbraw/zinc/24/69/74/1106246974.db2.gz WICDWIGLKCGIJX-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409367 1106246978 /nfs/dbraw/zinc/24/69/78/1106246978.db2.gz WICDWIGLKCGIJX-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409367 1106246982 /nfs/dbraw/zinc/24/69/82/1106246982.db2.gz WICDWIGLKCGIJX-UFYCRDLUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001255408587 1106247169 /nfs/dbraw/zinc/24/71/69/1106247169.db2.gz OFDBORDKPDEJQE-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001255408587 1106247173 /nfs/dbraw/zinc/24/71/73/1106247173.db2.gz OFDBORDKPDEJQE-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001255408587 1106247175 /nfs/dbraw/zinc/24/71/75/1106247175.db2.gz OFDBORDKPDEJQE-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP CC[N@H+]1CCN([C@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001255414582 1106248423 /nfs/dbraw/zinc/24/84/23/1106248423.db2.gz ZJTGRKDVIPXSDB-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001255414582 1106248425 /nfs/dbraw/zinc/24/84/25/1106248425.db2.gz ZJTGRKDVIPXSDB-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@H](N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001255467923 1106254972 /nfs/dbraw/zinc/25/49/72/1106254972.db2.gz LUKCGQIAFKCHMP-XUVXKRRUSA-N 2 1 309.457 3.112 20 0 DGADMP COC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001255571891 1106271909 /nfs/dbraw/zinc/27/19/09/1106271909.db2.gz QFECJXWIZTTZFP-OAHLLOKOSA-N 2 1 308.491 3.071 20 0 DGADMP COC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001255575666 1106272628 /nfs/dbraw/zinc/27/26/28/1106272628.db2.gz DRHACKDBMKCAOK-FCLVOEFKSA-N 2 1 302.462 3.132 20 0 DGADMP COC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001255575666 1106272630 /nfs/dbraw/zinc/27/26/30/1106272630.db2.gz DRHACKDBMKCAOK-FCLVOEFKSA-N 2 1 302.462 3.132 20 0 DGADMP COC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001255575666 1106272631 /nfs/dbraw/zinc/27/26/31/1106272631.db2.gz DRHACKDBMKCAOK-FCLVOEFKSA-N 2 1 302.462 3.132 20 0 DGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCC2(CC1)OCCO2 ZINC001255624506 1106279626 /nfs/dbraw/zinc/27/96/26/1106279626.db2.gz FEOLXLWIAHIQPF-QGZVFWFLSA-N 2 1 322.493 3.013 20 0 DGADMP C[C@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001255643553 1106282750 /nfs/dbraw/zinc/28/27/50/1106282750.db2.gz RBIPZNTXKHPGKX-LLVKDONJSA-N 2 1 304.331 3.416 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001255667827 1106290018 /nfs/dbraw/zinc/29/00/18/1106290018.db2.gz AKRWWVSYQJYKJM-MMNRESRNSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001255667827 1106290020 /nfs/dbraw/zinc/29/00/20/1106290020.db2.gz AKRWWVSYQJYKJM-MMNRESRNSA-N 2 1 300.446 3.424 20 0 DGADMP CCCC[NH+](CCCC)CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255666259 1106290282 /nfs/dbraw/zinc/29/02/82/1106290282.db2.gz YOCYDEBLBUYRNF-YQQQUEKLSA-N 2 1 309.542 3.494 20 0 DGADMP COc1ccc2c(c1)c(C[NH3+])cn2C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255669443 1106291167 /nfs/dbraw/zinc/29/11/67/1106291167.db2.gz VXCGXEDUUPWILR-XYPWUTKMSA-N 2 1 313.445 3.296 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCC2 ZINC001255681682 1106293860 /nfs/dbraw/zinc/29/38/60/1106293860.db2.gz BBMRNRCZNHRYGM-DFNIBXOVSA-N 2 1 314.473 3.459 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001255681682 1106293863 /nfs/dbraw/zinc/29/38/63/1106293863.db2.gz BBMRNRCZNHRYGM-DFNIBXOVSA-N 2 1 314.473 3.459 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001255681682 1106293867 /nfs/dbraw/zinc/29/38/67/1106293867.db2.gz BBMRNRCZNHRYGM-DFNIBXOVSA-N 2 1 314.473 3.459 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001255946790 1106346181 /nfs/dbraw/zinc/34/61/81/1106346181.db2.gz IOLHBFACXYDIDO-QGZVFWFLSA-N 3 1 318.509 3.069 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001255943372 1106346549 /nfs/dbraw/zinc/34/65/49/1106346549.db2.gz LSMNYDOJFUEROD-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001255943372 1106346552 /nfs/dbraw/zinc/34/65/52/1106346552.db2.gz LSMNYDOJFUEROD-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001255951375 1106348147 /nfs/dbraw/zinc/34/81/47/1106348147.db2.gz JNSFIRMRBCZQAB-LBPRGKRZSA-N 2 1 303.372 3.310 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccncc1OC)C1CC1 ZINC001255955703 1106349629 /nfs/dbraw/zinc/34/96/29/1106349629.db2.gz WZFGTRMGMGSEFB-KDOFPFPSSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001255964638 1106350625 /nfs/dbraw/zinc/35/06/25/1106350625.db2.gz AEMJFFWGOKTSHF-GOSISDBHSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001255964638 1106350627 /nfs/dbraw/zinc/35/06/27/1106350627.db2.gz AEMJFFWGOKTSHF-GOSISDBHSA-N 2 1 318.509 3.023 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001255963093 1106350912 /nfs/dbraw/zinc/35/09/12/1106350912.db2.gz CGJMNTGMFBNMDJ-RBUKOAKNSA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001255968692 1106352317 /nfs/dbraw/zinc/35/23/17/1106352317.db2.gz FSUISWCYUKENKY-CRAIPNDOSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001255968692 1106352320 /nfs/dbraw/zinc/35/23/20/1106352320.db2.gz FSUISWCYUKENKY-CRAIPNDOSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC001255972635 1106352885 /nfs/dbraw/zinc/35/28/85/1106352885.db2.gz VRPKLMZJPWWQJB-QGZVFWFLSA-N 2 1 319.493 3.354 20 0 DGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001256068409 1106363316 /nfs/dbraw/zinc/36/33/16/1106363316.db2.gz CEOCWHFZBYMVEJ-UHFFFAOYSA-N 3 1 319.537 3.248 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CCN(C3CC3)CC2)CC1 ZINC001256071550 1106363935 /nfs/dbraw/zinc/36/39/35/1106363935.db2.gz DCRBPVDYMWCAAE-RZDIXWSQSA-N 2 1 305.510 3.128 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC001256153199 1106379465 /nfs/dbraw/zinc/37/94/65/1106379465.db2.gz UUMGLBHIJOJCDY-DOTOQJQBSA-N 2 1 302.462 3.233 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC001256153199 1106379467 /nfs/dbraw/zinc/37/94/67/1106379467.db2.gz UUMGLBHIJOJCDY-DOTOQJQBSA-N 2 1 302.462 3.233 20 0 DGADMP C[NH+]1CCC([NH2+]CCc2ccc(Oc3ccccc3)nc2)CC1 ZINC001256202162 1106390175 /nfs/dbraw/zinc/39/01/75/1106390175.db2.gz ZMRDJVFOAZTSQZ-UHFFFAOYSA-N 2 1 311.429 3.100 20 0 DGADMP C[NH+]1CCC([NH2+]C2(Cc3cccnc3)CCC(F)(F)CC2)CC1 ZINC001256198998 1106390205 /nfs/dbraw/zinc/39/02/05/1106390205.db2.gz FQRFFVBFZFVVIN-UHFFFAOYSA-N 2 1 323.431 3.256 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256214186 1106391859 /nfs/dbraw/zinc/39/18/59/1106391859.db2.gz ICBNZTNPBYNOML-STQMWFEESA-N 2 1 313.283 3.297 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256302666 1106401616 /nfs/dbraw/zinc/40/16/16/1106401616.db2.gz BENPAFWFVYFXTO-QGZVFWFLSA-N 2 1 321.896 3.383 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520459 1106432745 /nfs/dbraw/zinc/43/27/45/1106432745.db2.gz OVEZXEFQJCJIMB-IJXRJRJASA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520459 1106432746 /nfs/dbraw/zinc/43/27/46/1106432746.db2.gz OVEZXEFQJCJIMB-IJXRJRJASA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529299 1106433897 /nfs/dbraw/zinc/43/38/97/1106433897.db2.gz SANWKZJRCLTZAW-RDJZCZTQSA-N 2 1 303.494 3.145 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256529066 1106434568 /nfs/dbraw/zinc/43/45/68/1106434568.db2.gz PWRIOVJTXIQSSL-AEFFLSMTSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256529066 1106434572 /nfs/dbraw/zinc/43/45/72/1106434572.db2.gz PWRIOVJTXIQSSL-AEFFLSMTSA-N 2 1 304.478 3.180 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256541489 1106439163 /nfs/dbraw/zinc/43/91/63/1106439163.db2.gz MBBQCFAWBWIXLV-LPHOPBHVSA-N 2 1 324.472 3.060 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256541489 1106439165 /nfs/dbraw/zinc/43/91/65/1106439165.db2.gz MBBQCFAWBWIXLV-LPHOPBHVSA-N 2 1 324.472 3.060 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552938 1106442006 /nfs/dbraw/zinc/44/20/06/1106442006.db2.gz FRAJPUAGNKAIDQ-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552938 1106442009 /nfs/dbraw/zinc/44/20/09/1106442009.db2.gz FRAJPUAGNKAIDQ-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552938 1106442011 /nfs/dbraw/zinc/44/20/11/1106442011.db2.gz FRAJPUAGNKAIDQ-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256552938 1106442014 /nfs/dbraw/zinc/44/20/14/1106442014.db2.gz FRAJPUAGNKAIDQ-YZGWKJHDSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)[NH+]1C ZINC001256553976 1106442628 /nfs/dbraw/zinc/44/26/28/1106442628.db2.gz MXMZTMINPRRZTH-XSYGEPLQSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256553976 1106442629 /nfs/dbraw/zinc/44/26/29/1106442629.db2.gz MXMZTMINPRRZTH-XSYGEPLQSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256553976 1106442631 /nfs/dbraw/zinc/44/26/31/1106442631.db2.gz MXMZTMINPRRZTH-XSYGEPLQSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](n2ccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256557206 1106443331 /nfs/dbraw/zinc/44/33/31/1106443331.db2.gz IGPKQICTSVLYAV-APWZRJJASA-N 2 1 309.457 3.359 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001256569507 1106447552 /nfs/dbraw/zinc/44/75/52/1106447552.db2.gz HPMYDPPESMKOJX-DGCLKSJQSA-N 2 1 310.379 3.329 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001256569507 1106447553 /nfs/dbraw/zinc/44/75/53/1106447553.db2.gz HPMYDPPESMKOJX-DGCLKSJQSA-N 2 1 310.379 3.329 20 0 DGADMP CSC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256611437 1106453435 /nfs/dbraw/zinc/45/34/35/1106453435.db2.gz SAWUSQANVCASGG-UHFFFAOYSA-N 2 1 304.503 3.478 20 0 DGADMP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001256619757 1106455097 /nfs/dbraw/zinc/45/50/97/1106455097.db2.gz IDTSAJHUGIGUCR-GOOCMWNKSA-N 2 1 316.436 3.043 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256633040 1106457449 /nfs/dbraw/zinc/45/74/49/1106457449.db2.gz NPMDNZDBIRYEHF-KRWDZBQOSA-N 2 1 304.478 3.264 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256633040 1106457451 /nfs/dbraw/zinc/45/74/51/1106457451.db2.gz NPMDNZDBIRYEHF-KRWDZBQOSA-N 2 1 304.478 3.264 20 0 DGADMP C1CC[C@H]2CCC[N@@H+](C3CCC([NH+]4CCOCC4)CC3)[C@@H]2C1 ZINC001256697684 1106470756 /nfs/dbraw/zinc/47/07/56/1106470756.db2.gz HDWMBNCIMDTSIQ-MKCYZYCBSA-N 2 1 306.494 3.284 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001256730535 1106475483 /nfs/dbraw/zinc/47/54/83/1106475483.db2.gz UHAIMZDQCOXPNU-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001256730535 1106475486 /nfs/dbraw/zinc/47/54/86/1106475486.db2.gz UHAIMZDQCOXPNU-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001256740746 1106477886 /nfs/dbraw/zinc/47/78/86/1106477886.db2.gz YSKPPHZKMCTTDG-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001256740746 1106477887 /nfs/dbraw/zinc/47/78/87/1106477887.db2.gz YSKPPHZKMCTTDG-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256788527 1106483104 /nfs/dbraw/zinc/48/31/04/1106483104.db2.gz ZTWGHPIXADMSMX-QXCZDIPSSA-N 2 1 300.446 3.122 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256816243 1106488712 /nfs/dbraw/zinc/48/87/12/1106488712.db2.gz HQLZCDMPALSSHD-RTBURBONSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256819429 1106489899 /nfs/dbraw/zinc/48/98/99/1106489899.db2.gz CAXNLYTYHRKDOI-VQTJNVASSA-N 2 1 314.473 3.465 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccccc1Br ZINC001256825796 1106491909 /nfs/dbraw/zinc/49/19/09/1106491909.db2.gz CIKRKWZKSCKCCV-LLVKDONJSA-N 2 1 322.250 3.259 20 0 DGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256828892 1106492499 /nfs/dbraw/zinc/49/24/99/1106492499.db2.gz IYQMNBSSFZSRHG-RBUKOAKNSA-N 2 1 302.462 3.323 20 0 DGADMP FC1(F)C[C@H]2C[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC001256856501 1106498549 /nfs/dbraw/zinc/49/85/49/1106498549.db2.gz IHFFBRVKMMUERD-OKILXGFUSA-N 2 1 307.388 3.028 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865197 1106499420 /nfs/dbraw/zinc/49/94/20/1106499420.db2.gz UHKLQLWVOCAMPG-UHFFFAOYSA-N 2 1 317.383 3.461 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256900006 1106504577 /nfs/dbraw/zinc/50/45/77/1106504577.db2.gz YXAOSUMOJZVQRD-GOSISDBHSA-N 2 1 315.505 3.292 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256900006 1106504579 /nfs/dbraw/zinc/50/45/79/1106504579.db2.gz YXAOSUMOJZVQRD-GOSISDBHSA-N 2 1 315.505 3.292 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901967 1106505602 /nfs/dbraw/zinc/50/56/02/1106505602.db2.gz MWVWCRYPAFGLFR-INIZCTEOSA-N 2 1 310.482 3.107 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901967 1106505604 /nfs/dbraw/zinc/50/56/04/1106505604.db2.gz MWVWCRYPAFGLFR-INIZCTEOSA-N 2 1 310.482 3.107 20 0 DGADMP NC(=[NH2+])N(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905306 1106508042 /nfs/dbraw/zinc/50/80/42/1106508042.db2.gz OCWXILYMLDODBO-INIZCTEOSA-N 2 1 320.868 3.447 20 0 DGADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906426 1106508452 /nfs/dbraw/zinc/50/84/52/1106508452.db2.gz BDWQLKFETJBEAA-WBVHZDCISA-N 2 1 302.462 3.320 20 0 DGADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906426 1106508453 /nfs/dbraw/zinc/50/84/53/1106508453.db2.gz BDWQLKFETJBEAA-WBVHZDCISA-N 2 1 302.462 3.320 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256918660 1106512481 /nfs/dbraw/zinc/51/24/81/1106512481.db2.gz QSRWSSIGOFALNL-FQEVSTJZSA-N 2 1 321.553 3.446 20 0 DGADMP CC(C)[NH+]1CCC(CN(C)[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256918660 1106512485 /nfs/dbraw/zinc/51/24/85/1106512485.db2.gz QSRWSSIGOFALNL-FQEVSTJZSA-N 2 1 321.553 3.446 20 0 DGADMP CC(C)[NH+]1CCC(CN(C)[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256918660 1106512487 /nfs/dbraw/zinc/51/24/87/1106512487.db2.gz QSRWSSIGOFALNL-FQEVSTJZSA-N 2 1 321.553 3.446 20 0 DGADMP COC(=O)CC1CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256980201 1106520440 /nfs/dbraw/zinc/52/04/40/1106520440.db2.gz ONMBFUQJMQKDGR-QXINMDOSSA-N 2 1 324.509 3.336 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257047425 1106529797 /nfs/dbraw/zinc/52/97/97/1106529797.db2.gz KNISHBYUZUGIDF-JOCBIADPSA-N 2 1 324.509 3.479 20 0 DGADMP C[C@@H]1CC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001257085488 1106536333 /nfs/dbraw/zinc/53/63/33/1106536333.db2.gz OXPUQCATTNVFGW-JOCBIADPSA-N 2 1 317.477 3.110 20 0 DGADMP CC(C)N1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257212046 1106552808 /nfs/dbraw/zinc/55/28/08/1106552808.db2.gz OGHPJYCATKKQSV-QAQDUYKDSA-N 2 1 309.542 3.477 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257212046 1106552812 /nfs/dbraw/zinc/55/28/12/1106552812.db2.gz OGHPJYCATKKQSV-QAQDUYKDSA-N 3 1 309.542 3.477 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257212046 1106552815 /nfs/dbraw/zinc/55/28/15/1106552815.db2.gz OGHPJYCATKKQSV-QAQDUYKDSA-N 3 1 309.542 3.477 20 0 DGADMP CCCCCC[C@H](C)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001257370007 1106575009 /nfs/dbraw/zinc/57/50/09/1106575009.db2.gz YQCLUIGEKZKPGO-INIZCTEOSA-N 2 1 300.487 3.162 20 0 DGADMP CCC(C)(C)C1CCC([NH2+][C@H](CCCC[NH3+])C(=O)OC)CC1 ZINC001257402425 1106582584 /nfs/dbraw/zinc/58/25/84/1106582584.db2.gz AHCPOINDYHRKTQ-UYSNPLJNSA-N 2 1 312.498 3.242 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001257444240 1106590469 /nfs/dbraw/zinc/59/04/69/1106590469.db2.gz HWJDUUHIRRQAMT-QGZVFWFLSA-N 2 1 302.462 3.152 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCCSC2)CC1 ZINC001257666377 1106617036 /nfs/dbraw/zinc/61/70/36/1106617036.db2.gz LMADEDIFCYBCNZ-BRWVUGGUSA-N 2 1 305.491 3.049 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257675137 1106618930 /nfs/dbraw/zinc/61/89/30/1106618930.db2.gz XXTVPZXJULVNQH-GUDVDZBRSA-N 2 1 316.514 3.254 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257684939 1106621334 /nfs/dbraw/zinc/62/13/34/1106621334.db2.gz YWCWBCQGNZOAAQ-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257684939 1106621337 /nfs/dbraw/zinc/62/13/37/1106621337.db2.gz YWCWBCQGNZOAAQ-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@H]4CCCSC4)C[C@H]3C2)cc1 ZINC001257684939 1106621340 /nfs/dbraw/zinc/62/13/40/1106621340.db2.gz YWCWBCQGNZOAAQ-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257948588 1106648394 /nfs/dbraw/zinc/64/83/94/1106648394.db2.gz PWSUCGCURJDYSE-PBHICJAKSA-N 2 1 322.880 3.498 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257966129 1106653196 /nfs/dbraw/zinc/65/31/96/1106653196.db2.gz HCFKXQGOUOCBNU-MRXNPFEDSA-N 2 1 310.869 3.307 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257966129 1106653199 /nfs/dbraw/zinc/65/31/99/1106653199.db2.gz HCFKXQGOUOCBNU-MRXNPFEDSA-N 2 1 310.869 3.307 20 0 DGADMP Cc1nc2cc(C[NH2+]C3CC[NH+](CC(C)C)CC3)ccc2o1 ZINC001258002759 1106655813 /nfs/dbraw/zinc/65/58/13/1106655813.db2.gz CAJSHCWJTKIEGW-UHFFFAOYSA-N 2 1 301.434 3.346 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001258015046 1106658075 /nfs/dbraw/zinc/65/80/75/1106658075.db2.gz YAJPWNKHROASDP-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001258015046 1106658079 /nfs/dbraw/zinc/65/80/79/1106658079.db2.gz YAJPWNKHROASDP-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001258014424 1106658162 /nfs/dbraw/zinc/65/81/62/1106658162.db2.gz JXQHZGQXCDPIFF-IBGZPJMESA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001258014424 1106658164 /nfs/dbraw/zinc/65/81/64/1106658164.db2.gz JXQHZGQXCDPIFF-IBGZPJMESA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001258013638 1106658217 /nfs/dbraw/zinc/65/82/17/1106658217.db2.gz VKMSGEVSRATOJT-CQSZACIVSA-N 2 1 310.379 3.331 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001258013638 1106658218 /nfs/dbraw/zinc/65/82/18/1106658218.db2.gz VKMSGEVSRATOJT-CQSZACIVSA-N 2 1 310.379 3.331 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001258017793 1106658998 /nfs/dbraw/zinc/65/89/98/1106658998.db2.gz PLMDNVPQBFTTTN-INIZCTEOSA-N 2 1 324.509 3.161 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258124561 1106676809 /nfs/dbraw/zinc/67/68/09/1106676809.db2.gz IYQHSGLOQXNWCQ-OKZBNKHCSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258124561 1106676813 /nfs/dbraw/zinc/67/68/13/1106676813.db2.gz IYQHSGLOQXNWCQ-OKZBNKHCSA-N 2 1 324.509 3.447 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258124561 1106676816 /nfs/dbraw/zinc/67/68/16/1106676816.db2.gz IYQHSGLOQXNWCQ-OKZBNKHCSA-N 2 1 324.509 3.447 20 0 DGADMP FC[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC001258142826 1106680239 /nfs/dbraw/zinc/68/02/39/1106680239.db2.gz BVSGPMUQYOZTTO-GOSISDBHSA-N 2 1 304.453 3.375 20 0 DGADMP FC[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142826 1106680242 /nfs/dbraw/zinc/68/02/42/1106680242.db2.gz BVSGPMUQYOZTTO-GOSISDBHSA-N 2 1 304.453 3.375 20 0 DGADMP FC[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142826 1106680243 /nfs/dbraw/zinc/68/02/43/1106680243.db2.gz BVSGPMUQYOZTTO-GOSISDBHSA-N 2 1 304.453 3.375 20 0 DGADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258405239 1106731276 /nfs/dbraw/zinc/73/12/76/1106731276.db2.gz CPJLIQPXRSCXNM-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001258401742 1106731770 /nfs/dbraw/zinc/73/17/70/1106731770.db2.gz AUEXANPPQSOHPV-KRWDZBQOSA-N 2 1 304.478 3.434 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001316943311 1106799325 /nfs/dbraw/zinc/79/93/25/1106799325.db2.gz IQQCVNZTWDAGAK-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001316943311 1106799336 /nfs/dbraw/zinc/79/93/36/1106799336.db2.gz IQQCVNZTWDAGAK-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001316943311 1106799351 /nfs/dbraw/zinc/79/93/51/1106799351.db2.gz IQQCVNZTWDAGAK-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258536077 1106805022 /nfs/dbraw/zinc/80/50/22/1106805022.db2.gz SPSCYAMWBMDPLR-OAHLLOKOSA-N 2 1 321.896 3.383 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258653557 1106882828 /nfs/dbraw/zinc/88/28/28/1106882828.db2.gz UUSKTMKCHMSEBJ-IBGZPJMESA-N 2 1 304.478 3.098 20 0 DGADMP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2cccc(Cl)c2)CC1 ZINC001258740777 1106944702 /nfs/dbraw/zinc/94/47/02/1106944702.db2.gz ALHWPVCZSSDQJG-CQSZACIVSA-N 2 1 310.869 3.101 20 0 DGADMP CCC[NH+]1CCC([NH+]2CCC(O)(c3ccc(C)cc3)CC2)CC1 ZINC001258771431 1106966707 /nfs/dbraw/zinc/96/67/07/1106966707.db2.gz BMXINFAXCHLUHZ-UHFFFAOYSA-N 2 1 316.489 3.153 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001258774173 1106968326 /nfs/dbraw/zinc/96/83/26/1106968326.db2.gz KBHFZMSZVQLNSR-LJQANCHMSA-N 2 1 302.462 3.404 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001258774173 1106968336 /nfs/dbraw/zinc/96/83/36/1106968336.db2.gz KBHFZMSZVQLNSR-LJQANCHMSA-N 2 1 302.462 3.404 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258824857 1107008251 /nfs/dbraw/zinc/00/82/51/1107008251.db2.gz UDPLPDHDBXUJTJ-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258824857 1107008264 /nfs/dbraw/zinc/00/82/64/1107008264.db2.gz UDPLPDHDBXUJTJ-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258824857 1107008277 /nfs/dbraw/zinc/00/82/77/1107008277.db2.gz UDPLPDHDBXUJTJ-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824533 1107008418 /nfs/dbraw/zinc/00/84/18/1107008418.db2.gz VRUNOCLHZNAHTA-GSEOLPGOSA-N 2 1 320.521 3.388 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824533 1107008432 /nfs/dbraw/zinc/00/84/32/1107008432.db2.gz VRUNOCLHZNAHTA-GSEOLPGOSA-N 2 1 320.521 3.388 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824533 1107008446 /nfs/dbraw/zinc/00/84/46/1107008446.db2.gz VRUNOCLHZNAHTA-GSEOLPGOSA-N 2 1 320.521 3.388 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258824855 1107009185 /nfs/dbraw/zinc/00/91/85/1107009185.db2.gz UDPLPDHDBXUJTJ-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258824855 1107009197 /nfs/dbraw/zinc/00/91/97/1107009197.db2.gz UDPLPDHDBXUJTJ-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258824855 1107009206 /nfs/dbraw/zinc/00/92/06/1107009206.db2.gz UDPLPDHDBXUJTJ-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258847671 1107021499 /nfs/dbraw/zinc/02/14/99/1107021499.db2.gz DQFUYEBYBHYYSZ-KRWDZBQOSA-N 2 1 315.461 3.138 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258886083 1107038441 /nfs/dbraw/zinc/03/84/41/1107038441.db2.gz BQBONTOSJDDZPT-DLBZAZTESA-N 2 1 304.478 3.467 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001258898404 1107046892 /nfs/dbraw/zinc/04/68/92/1107046892.db2.gz WRISYTQAEJXXMJ-DOTOQJQBSA-N 2 1 312.498 3.208 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258898061 1107047086 /nfs/dbraw/zinc/04/70/86/1107047086.db2.gz FRJXAGISBOKYEW-OTWHNJEPSA-N 2 1 311.558 3.455 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001258899876 1107047775 /nfs/dbraw/zinc/04/77/75/1107047775.db2.gz VBMPKMVZJIKTMK-HNNXBMFYSA-N 2 1 315.461 3.466 20 0 DGADMP CCOC(=O)[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)[C@@H](C)CC ZINC001258903333 1107051140 /nfs/dbraw/zinc/05/11/40/1107051140.db2.gz PZRHBEAHAYNRFJ-HRCADAONSA-N 2 1 300.487 3.064 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001258907714 1107055241 /nfs/dbraw/zinc/05/52/41/1107055241.db2.gz MXHUWSFHAPNACP-CABCVRRESA-N 2 1 324.431 3.276 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321220083 1107290146 /nfs/dbraw/zinc/29/01/46/1107290146.db2.gz KBXWUBIVMDSTMW-OAHLLOKOSA-N 2 1 323.444 3.018 20 0 DGADMP Cc1cccc(CN2CCCC[C@@H]2c2nc(C3([NH3+])CC3)no2)c1 ZINC001262167325 1107636299 /nfs/dbraw/zinc/63/62/99/1107636299.db2.gz IRBNBMVBSMDROX-OAHLLOKOSA-N 2 1 312.417 3.053 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC001262361911 1107693000 /nfs/dbraw/zinc/69/30/00/1107693000.db2.gz AVYFEKKQJKVTOR-KRWDZBQOSA-N 3 1 315.505 3.143 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317970911 1107776468 /nfs/dbraw/zinc/77/64/68/1107776468.db2.gz PWTHXYSZQUEOGR-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCN(Cc1cc(C)[nH]n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323324966 1107937267 /nfs/dbraw/zinc/93/72/67/1107937267.db2.gz YYXSXANLBQEYLF-SFHVURJKSA-N 2 1 312.461 3.062 20 0 DGADMP CCN(Cc1cc(C)[nH]n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323324966 1107937285 /nfs/dbraw/zinc/93/72/85/1107937285.db2.gz YYXSXANLBQEYLF-SFHVURJKSA-N 2 1 312.461 3.062 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC001323672840 1108049083 /nfs/dbraw/zinc/04/90/83/1108049083.db2.gz RWLONNZNCPJXGQ-PXNSSMCTSA-N 2 1 316.489 3.476 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001324003373 1108143178 /nfs/dbraw/zinc/14/31/78/1108143178.db2.gz GCHJANBZIBTBCX-ZMYBRWDISA-N 2 1 314.477 3.346 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC001319189531 1108357712 /nfs/dbraw/zinc/35/77/12/1108357712.db2.gz HHTNUISHANFLMB-CVEARBPZSA-N 2 1 320.477 3.224 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC001319198191 1108361350 /nfs/dbraw/zinc/36/13/50/1108361350.db2.gz ATQUAYYULWYHKQ-HOTGVXAUSA-N 2 1 320.477 3.395 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1ccccc1 ZINC001324600522 1108368180 /nfs/dbraw/zinc/36/81/80/1108368180.db2.gz CVYRYXYREDJBQL-DJXYKJKZSA-N 2 1 324.472 3.457 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1ccccc1 ZINC001324600522 1108368189 /nfs/dbraw/zinc/36/81/89/1108368189.db2.gz CVYRYXYREDJBQL-DJXYKJKZSA-N 2 1 324.472 3.457 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754952 1108624156 /nfs/dbraw/zinc/62/41/56/1108624156.db2.gz MSYKNRQHBWHMDT-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC001319754952 1108624161 /nfs/dbraw/zinc/62/41/61/1108624161.db2.gz MSYKNRQHBWHMDT-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+](CCC1CC[NH+](CC(=O)OC(C)C)CC1)CC(C)C ZINC001319780028 1108632617 /nfs/dbraw/zinc/63/26/17/1108632617.db2.gz WFBNAVJQKRCADC-UHFFFAOYSA-N 2 1 312.498 3.018 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)OC(C)C)CC1)CC(C)C ZINC001319780028 1108632621 /nfs/dbraw/zinc/63/26/21/1108632621.db2.gz WFBNAVJQKRCADC-UHFFFAOYSA-N 2 1 312.498 3.018 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC001319856904 1108666264 /nfs/dbraw/zinc/66/62/64/1108666264.db2.gz OIFGMCLERZENHO-JKSUJKDBSA-N 2 1 300.446 3.291 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC001319856904 1108666269 /nfs/dbraw/zinc/66/62/69/1108666269.db2.gz OIFGMCLERZENHO-JKSUJKDBSA-N 2 1 300.446 3.291 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001265213403 1108780009 /nfs/dbraw/zinc/78/00/09/1108780009.db2.gz RHHBYXCHOPGOOP-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265213403 1108780019 /nfs/dbraw/zinc/78/00/19/1108780019.db2.gz RHHBYXCHOPGOOP-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001265213403 1108780028 /nfs/dbraw/zinc/78/00/28/1108780028.db2.gz RHHBYXCHOPGOOP-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001265645577 1108946451 /nfs/dbraw/zinc/94/64/51/1108946451.db2.gz SBPXNOLMHWSAIV-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001282678235 1109550255 /nfs/dbraw/zinc/55/02/55/1109550255.db2.gz PTVLSSSQJOYIFH-YQJUVHNHSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC001306932334 1111251972 /nfs/dbraw/zinc/25/19/72/1111251972.db2.gz SFMPIQVURAFFJS-RYUDHWBXSA-N 2 1 301.356 3.197 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCCC[C@@H]1C ZINC001306932334 1111251976 /nfs/dbraw/zinc/25/19/76/1111251976.db2.gz SFMPIQVURAFFJS-RYUDHWBXSA-N 2 1 301.356 3.197 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC23CCOCC3)CC1 ZINC001307515558 1111309165 /nfs/dbraw/zinc/30/91/65/1111309165.db2.gz PKQOUYRHAXIPEF-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001307661329 1111324317 /nfs/dbraw/zinc/32/43/17/1111324317.db2.gz QJAFJSKJTOLAOD-HIFRSBDPSA-N 2 1 318.486 3.315 20 0 DGADMP Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001307661329 1111324321 /nfs/dbraw/zinc/32/43/21/1111324321.db2.gz QJAFJSKJTOLAOD-HIFRSBDPSA-N 2 1 318.486 3.315 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C3CCCC3)[C@H](C)C2)c1C ZINC001308079457 1111375704 /nfs/dbraw/zinc/37/57/04/1111375704.db2.gz JHWDEZZSFZCLDS-OAHLLOKOSA-N 2 1 317.477 3.156 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1C ZINC001308079457 1111375708 /nfs/dbraw/zinc/37/57/08/1111375708.db2.gz JHWDEZZSFZCLDS-OAHLLOKOSA-N 2 1 317.477 3.156 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC001308184222 1111392900 /nfs/dbraw/zinc/39/29/00/1111392900.db2.gz BQQZBPTUCJPBDE-UHFFFAOYSA-N 2 1 308.441 3.436 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001308197753 1111395483 /nfs/dbraw/zinc/39/54/83/1111395483.db2.gz OYSICBGCVZFVTN-UHFFFAOYSA-N 2 1 304.478 3.402 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001308258506 1111406042 /nfs/dbraw/zinc/40/60/42/1111406042.db2.gz INCXKVSWORGTKK-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001308258506 1111406045 /nfs/dbraw/zinc/40/60/45/1111406045.db2.gz INCXKVSWORGTKK-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001308258506 1111406047 /nfs/dbraw/zinc/40/60/47/1111406047.db2.gz INCXKVSWORGTKK-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC1CCCCC1 ZINC001308270245 1111408425 /nfs/dbraw/zinc/40/84/25/1111408425.db2.gz YLQJSQZCXSOLRE-MJGOQNOKSA-N 2 1 310.526 3.419 20 0 DGADMP CCC[C@H](C[NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001308274169 1111409223 /nfs/dbraw/zinc/40/92/23/1111409223.db2.gz FELNYSUOEXDKCF-GOSISDBHSA-N 2 1 304.478 3.271 20 0 DGADMP Cc1cn2c(C[NH2+]CC[C@H](C)[NH+]3CCCCC3)c(C)nc2s1 ZINC001308366750 1111422456 /nfs/dbraw/zinc/42/24/56/1111422456.db2.gz NMUPCQAEHKMDPM-ZDUSSCGKSA-N 2 1 320.506 3.367 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1C(F)(F)F ZINC001308553145 1111442935 /nfs/dbraw/zinc/44/29/35/1111442935.db2.gz HLNZFINTURDEQF-SQWLQELKSA-N 2 1 312.379 3.444 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001308600333 1111449404 /nfs/dbraw/zinc/44/94/04/1111449404.db2.gz ZASSQAWEDKTLPC-SFHVURJKSA-N 2 1 316.445 3.366 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC001308741344 1111468277 /nfs/dbraw/zinc/46/82/77/1111468277.db2.gz QZYNUDAGSDMRIG-ZACQAIPSSA-N 2 1 308.510 3.433 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC001308741341 1111468467 /nfs/dbraw/zinc/46/84/67/1111468467.db2.gz QZYNUDAGSDMRIG-BRWVUGGUSA-N 2 1 308.510 3.433 20 0 DGADMP Cc1cccc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c1Br ZINC001308966080 1111501327 /nfs/dbraw/zinc/50/13/27/1111501327.db2.gz MFHNJVHXVLKILO-OAHLLOKOSA-N 2 1 323.278 3.189 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316775129 1111762540 /nfs/dbraw/zinc/76/25/40/1111762540.db2.gz XVNRMINCZLAJCF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000278512373 214203241 /nfs/dbraw/zinc/20/32/41/214203241.db2.gz WYOBPNREQYUVAK-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000278512373 214203242 /nfs/dbraw/zinc/20/32/42/214203242.db2.gz WYOBPNREQYUVAK-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000278512373 214203243 /nfs/dbraw/zinc/20/32/43/214203243.db2.gz WYOBPNREQYUVAK-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000278512373 214203244 /nfs/dbraw/zinc/20/32/44/214203244.db2.gz WYOBPNREQYUVAK-NVXWUHKLSA-N 2 1 306.425 3.141 20 0 DGADMP C[C@@H]1C[C@@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000414692723 230803915 /nfs/dbraw/zinc/80/39/15/230803915.db2.gz KXTNAQPBVMEVST-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1F ZINC000278580608 214251988 /nfs/dbraw/zinc/25/19/88/214251988.db2.gz YJMWPEHCGRVJRO-AWEZNQCLSA-N 2 1 305.422 3.163 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000164581920 197657587 /nfs/dbraw/zinc/65/75/87/197657587.db2.gz KNXVUJBRFWUKHI-AWEZNQCLSA-N 2 1 314.433 3.281 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000278693275 214331029 /nfs/dbraw/zinc/33/10/29/214331029.db2.gz UYCQJKKGIIRWBM-IAGOWNOFSA-N 2 1 320.477 3.155 20 0 DGADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000129286472 432003901 /nfs/dbraw/zinc/00/39/01/432003901.db2.gz YEISNSLTVZUZNW-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000129286472 432003903 /nfs/dbraw/zinc/00/39/03/432003903.db2.gz YEISNSLTVZUZNW-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000129286472 432003905 /nfs/dbraw/zinc/00/39/05/432003905.db2.gz YEISNSLTVZUZNW-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc32)c2ccccc21 ZINC000321620415 231204969 /nfs/dbraw/zinc/20/49/69/231204969.db2.gz IICVOFCHJWNPQQ-RBUKOAKNSA-N 2 1 307.441 3.174 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000322946762 231213734 /nfs/dbraw/zinc/21/37/34/231213734.db2.gz RUAYXOUFEFHFPG-QGTPRVQTSA-N 2 1 318.461 3.119 20 0 DGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442887966 529601962 /nfs/dbraw/zinc/60/19/62/529601962.db2.gz CKMFJCOOMOCWBB-KRWDZBQOSA-N 2 1 323.912 3.407 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000294924820 529666172 /nfs/dbraw/zinc/66/61/72/529666172.db2.gz HDJAPYYBWSFMPL-NJAFHUGGSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027896 185278998 /nfs/dbraw/zinc/27/89/98/185278998.db2.gz MTSALIHTOWPEGU-VKJFTORMSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027896 185278999 /nfs/dbraw/zinc/27/89/99/185278999.db2.gz MTSALIHTOWPEGU-VKJFTORMSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000090116864 185283147 /nfs/dbraw/zinc/28/31/47/185283147.db2.gz IAHJWZHNNCSSAQ-IXYNUQLISA-N 2 1 310.869 3.426 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C)CC1 ZINC000090400619 185294455 /nfs/dbraw/zinc/29/44/55/185294455.db2.gz RNKSSXJXUGIADW-LBPRGKRZSA-N 2 1 311.267 3.064 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000092381333 185314572 /nfs/dbraw/zinc/31/45/72/185314572.db2.gz QEPRUIUVLUDEGC-UHFFFAOYSA-N 2 1 300.368 3.268 20 0 DGADMP Cc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587833 185327464 /nfs/dbraw/zinc/32/74/64/185327464.db2.gz PMBFEBMGYJZHDC-GOSISDBHSA-N 2 1 301.478 3.334 20 0 DGADMP Cc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587833 185327465 /nfs/dbraw/zinc/32/74/65/185327465.db2.gz PMBFEBMGYJZHDC-GOSISDBHSA-N 2 1 301.478 3.334 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118500 529802317 /nfs/dbraw/zinc/80/23/17/529802317.db2.gz BYCVVYGNKVGBCV-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118500 529802319 /nfs/dbraw/zinc/80/23/19/529802319.db2.gz BYCVVYGNKVGBCV-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118500 529802320 /nfs/dbraw/zinc/80/23/20/529802320.db2.gz BYCVVYGNKVGBCV-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118500 529802321 /nfs/dbraw/zinc/80/23/21/529802321.db2.gz BYCVVYGNKVGBCV-OAHLLOKOSA-N 2 1 314.351 3.113 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCOc3ccccc3)C2)C1 ZINC000292767368 529811709 /nfs/dbraw/zinc/81/17/09/529811709.db2.gz KBLVPXYMVPYNOJ-IBGZPJMESA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCOc3ccccc3)C2)C1 ZINC000292767368 529811711 /nfs/dbraw/zinc/81/17/11/529811711.db2.gz KBLVPXYMVPYNOJ-IBGZPJMESA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCCOc3ccccc3)C2)C1 ZINC000292767368 529811712 /nfs/dbraw/zinc/81/17/12/529811712.db2.gz KBLVPXYMVPYNOJ-IBGZPJMESA-N 2 1 302.462 3.263 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000430934931 529958814 /nfs/dbraw/zinc/95/88/14/529958814.db2.gz OHDHTOSDQVLDCJ-UHFFFAOYSA-N 2 1 319.449 3.381 20 0 DGADMP CN(Cc1nccn1C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000272757660 210161041 /nfs/dbraw/zinc/16/10/41/210161041.db2.gz KWVFPLFBPQZHEX-UHFFFAOYSA-N 2 1 314.477 3.010 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CC[NH+](C)C1 ZINC000434181292 529974816 /nfs/dbraw/zinc/97/48/16/529974816.db2.gz GZRPDXBVBNCXIS-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CC[NH+](C)C1 ZINC000434181292 529974817 /nfs/dbraw/zinc/97/48/17/529974817.db2.gz GZRPDXBVBNCXIS-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000434181292 529974818 /nfs/dbraw/zinc/97/48/18/529974818.db2.gz GZRPDXBVBNCXIS-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000434181292 529974820 /nfs/dbraw/zinc/97/48/20/529974820.db2.gz GZRPDXBVBNCXIS-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430659601 529988213 /nfs/dbraw/zinc/98/82/13/529988213.db2.gz ZWBZVHNYSQVYAE-ZDUSSCGKSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430659601 529988214 /nfs/dbraw/zinc/98/82/14/529988214.db2.gz ZWBZVHNYSQVYAE-ZDUSSCGKSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430632556 530001667 /nfs/dbraw/zinc/00/16/67/530001667.db2.gz YRJANIYCGXNQES-GFCCVEGCSA-N 2 1 317.260 3.304 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430632556 530001668 /nfs/dbraw/zinc/00/16/68/530001668.db2.gz YRJANIYCGXNQES-GFCCVEGCSA-N 2 1 317.260 3.304 20 0 DGADMP C[N@H+](Cc1nc2ccc(F)cc2s1)CC1CC[NH+](C)CC1 ZINC000432746153 530023131 /nfs/dbraw/zinc/02/31/31/530023131.db2.gz HHXFLHUGFGGWQK-UHFFFAOYSA-N 2 1 307.438 3.209 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587948 530053039 /nfs/dbraw/zinc/05/30/39/530053039.db2.gz BXQIARSGBFDRIH-FQEVSTJZSA-N 3 1 321.553 3.449 20 0 DGADMP CN1CCCC[C@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587948 530053040 /nfs/dbraw/zinc/05/30/40/530053040.db2.gz BXQIARSGBFDRIH-FQEVSTJZSA-N 2 1 321.553 3.449 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000129970694 432012088 /nfs/dbraw/zinc/01/20/88/432012088.db2.gz WZLBKQYUWKQCMW-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP CC[N@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)cn2)[C@H](C)C1 ZINC000130014924 432013124 /nfs/dbraw/zinc/01/31/24/432013124.db2.gz QZEDGFILOMVOFQ-NVXWUHKLSA-N 2 1 302.466 3.214 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000279715855 215085388 /nfs/dbraw/zinc/08/53/88/215085388.db2.gz LNLRHMQCMPSQDV-SCTDSRPQSA-N 2 1 304.478 3.473 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](COc2ccccc2)C1 ZINC000272624287 210026104 /nfs/dbraw/zinc/02/61/04/210026104.db2.gz VGHYIFHSQQZWDC-MSOLQXFVSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272624287 210026106 /nfs/dbraw/zinc/02/61/06/210026106.db2.gz VGHYIFHSQQZWDC-MSOLQXFVSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272624287 210026108 /nfs/dbraw/zinc/02/61/08/210026108.db2.gz VGHYIFHSQQZWDC-MSOLQXFVSA-N 2 1 302.462 3.262 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279785280 215143619 /nfs/dbraw/zinc/14/36/19/215143619.db2.gz LSYQBAYYYYQEST-AHRSYUTCSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279785280 215143622 /nfs/dbraw/zinc/14/36/22/215143622.db2.gz LSYQBAYYYYQEST-AHRSYUTCSA-N 2 1 316.489 3.180 20 0 DGADMP COC1(C[NH2+]C2CC[NH+](C)CC2)CCC(c2ccccc2)CC1 ZINC000287059568 219291779 /nfs/dbraw/zinc/29/17/79/219291779.db2.gz NJIBGUBAJONYHM-UHFFFAOYSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287067578 219294888 /nfs/dbraw/zinc/29/48/88/219294888.db2.gz NWRIQPJZQAYCEH-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP Brc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869059 432023329 /nfs/dbraw/zinc/02/33/29/432023329.db2.gz ZJNRCWJDQISDEK-UONOGXRCSA-N 2 1 309.251 3.166 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000279974084 215282024 /nfs/dbraw/zinc/28/20/24/215282024.db2.gz DFDVTQWKZKIDIO-UWVAXJGDSA-N 2 1 315.505 3.221 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000133318232 185973646 /nfs/dbraw/zinc/97/36/46/185973646.db2.gz FEIFAAMVFYSKEA-IEBWSBKVSA-N 2 1 302.462 3.023 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152432731 186072415 /nfs/dbraw/zinc/07/24/15/186072415.db2.gz CQIBVCCSSVICNV-WBVHZDCISA-N 2 1 324.472 3.316 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000163892670 186141554 /nfs/dbraw/zinc/14/15/54/186141554.db2.gz NCDRLQHEYFVBLQ-ZIAGYGMSSA-N 2 1 309.417 3.326 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280032763 215325663 /nfs/dbraw/zinc/32/56/63/215325663.db2.gz USEVLZIBKDGQPJ-LSDHHAIUSA-N 2 1 320.477 3.270 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287193158 219371380 /nfs/dbraw/zinc/37/13/80/219371380.db2.gz VYVGKGHNWHTYTQ-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000277200337 213361491 /nfs/dbraw/zinc/36/14/91/213361491.db2.gz PNGMWUNMYVFQSD-LJQANCHMSA-N 2 1 311.429 3.093 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648879 198131366 /nfs/dbraw/zinc/13/13/66/198131366.db2.gz FZSVAKQODPTWHW-SFHVURJKSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648879 198131368 /nfs/dbraw/zinc/13/13/68/198131368.db2.gz FZSVAKQODPTWHW-SFHVURJKSA-N 2 1 302.462 3.392 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173375064 198207550 /nfs/dbraw/zinc/20/75/50/198207550.db2.gz IVNPFXFSOVRISQ-CYBMUJFWSA-N 2 1 312.404 3.116 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000174220220 198307098 /nfs/dbraw/zinc/30/70/98/198307098.db2.gz BBWIFAYLOOQRCI-KRWDZBQOSA-N 2 1 320.477 3.128 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000174628393 198362172 /nfs/dbraw/zinc/36/21/72/198362172.db2.gz FDVBAUVDBYYOEM-IUODEOHRSA-N 2 1 311.267 3.269 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163550979 432036221 /nfs/dbraw/zinc/03/62/21/432036221.db2.gz VNCSFVOXSKTROP-ABSDTBQOSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000163550979 432036226 /nfs/dbraw/zinc/03/62/26/432036226.db2.gz VNCSFVOXSKTROP-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000163550979 432036232 /nfs/dbraw/zinc/03/62/32/432036232.db2.gz VNCSFVOXSKTROP-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000163550979 432036233 /nfs/dbraw/zinc/03/62/33/432036233.db2.gz VNCSFVOXSKTROP-ABSDTBQOSA-N 2 1 317.521 3.347 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422968693 283024556 /nfs/dbraw/zinc/02/45/56/283024556.db2.gz RWSWRZLLSOBADG-KKBVYLPWSA-N 2 1 304.409 3.160 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000073381252 191310518 /nfs/dbraw/zinc/31/05/18/191310518.db2.gz KTKMVGUDHIPYAF-UHFFFAOYSA-N 2 1 314.351 3.302 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103911 283076197 /nfs/dbraw/zinc/07/61/97/283076197.db2.gz LRXBTIIICDSPNH-KBAYOESNSA-N 2 1 323.912 3.440 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103911 283076200 /nfs/dbraw/zinc/07/62/00/283076200.db2.gz LRXBTIIICDSPNH-KBAYOESNSA-N 2 1 323.912 3.440 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000236821152 202025554 /nfs/dbraw/zinc/02/55/54/202025554.db2.gz TWXLROAUONKZHS-AWEZNQCLSA-N 2 1 303.450 3.168 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000164661331 432050340 /nfs/dbraw/zinc/05/03/40/432050340.db2.gz NAPMBQPPAGDVSN-RCDICMHDSA-N 2 1 319.474 3.060 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000165283071 432054318 /nfs/dbraw/zinc/05/43/18/432054318.db2.gz KPHLNRWYYONRSG-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165242729 432054957 /nfs/dbraw/zinc/05/49/57/432054957.db2.gz VPLNVJWESGNETC-GGPKGHCWSA-N 2 1 318.505 3.344 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304339 432055341 /nfs/dbraw/zinc/05/53/41/432055341.db2.gz MSRIJWOXGOXTDH-DOTOQJQBSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304339 432055343 /nfs/dbraw/zinc/05/53/43/432055343.db2.gz MSRIJWOXGOXTDH-DOTOQJQBSA-N 2 1 315.486 3.358 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1C)C(C)C ZINC000165637552 432056633 /nfs/dbraw/zinc/05/66/33/432056633.db2.gz HACUTBZBADZRCD-SFHVURJKSA-N 2 1 315.461 3.447 20 0 DGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168308469 432067518 /nfs/dbraw/zinc/06/75/18/432067518.db2.gz RCZSYTMECAMLRU-GOSISDBHSA-N 2 1 322.468 3.093 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000168609689 432070093 /nfs/dbraw/zinc/07/00/93/432070093.db2.gz KOQYRUBCVSZFCF-HIFRSBDPSA-N 2 1 312.404 3.416 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000168609689 432070095 /nfs/dbraw/zinc/07/00/95/432070095.db2.gz KOQYRUBCVSZFCF-HIFRSBDPSA-N 2 1 312.404 3.416 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)cc2c1 ZINC000179302342 199012001 /nfs/dbraw/zinc/01/20/01/199012001.db2.gz XSXGTKURQPGTNH-CYBMUJFWSA-N 2 1 313.401 3.372 20 0 DGADMP COCc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000179223534 199001792 /nfs/dbraw/zinc/00/17/92/199001792.db2.gz YDJFRCHNSBFOKT-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP COCc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000179223534 199001793 /nfs/dbraw/zinc/00/17/93/199001793.db2.gz YDJFRCHNSBFOKT-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP COCc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179239444 199003249 /nfs/dbraw/zinc/00/32/49/199003249.db2.gz QDKIQKMNDLXVMR-QUCCMNQESA-N 2 1 314.473 3.282 20 0 DGADMP COCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000179239444 199003250 /nfs/dbraw/zinc/00/32/50/199003250.db2.gz QDKIQKMNDLXVMR-QUCCMNQESA-N 2 1 314.473 3.282 20 0 DGADMP COCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000179239444 199003252 /nfs/dbraw/zinc/00/32/52/199003252.db2.gz QDKIQKMNDLXVMR-QUCCMNQESA-N 2 1 314.473 3.282 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000179638350 199068428 /nfs/dbraw/zinc/06/84/28/199068428.db2.gz VRROPVKIOLMQAR-CQSZACIVSA-N 2 1 302.393 3.469 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000179638350 199068430 /nfs/dbraw/zinc/06/84/30/199068430.db2.gz VRROPVKIOLMQAR-CQSZACIVSA-N 2 1 302.393 3.469 20 0 DGADMP C[C@@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180149301 199123434 /nfs/dbraw/zinc/12/34/34/199123434.db2.gz HMTBJNNHLPJVNR-SVPXJYONSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](C)c2ccccc2)cn1 ZINC000237412709 202257696 /nfs/dbraw/zinc/25/76/96/202257696.db2.gz HMHZWTGIJSEOEW-HNNXBMFYSA-N 2 1 306.413 3.469 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276615565 213001969 /nfs/dbraw/zinc/00/19/69/213001969.db2.gz HEHGFYBDNPCHSZ-HKUYNNGSSA-N 2 1 318.505 3.428 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3occc32)C2CC3CC(C2)CC1C3 ZINC000333893972 283406853 /nfs/dbraw/zinc/40/68/53/283406853.db2.gz YSHDDBKGRXJOFJ-JKSUJJTKSA-N 2 1 300.446 3.400 20 0 DGADMP COc1ccc([C@H](C)C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415061281 237046655 /nfs/dbraw/zinc/04/66/55/237046655.db2.gz ZYHAOPNUDBKPEO-UIAACRFSSA-N 2 1 310.441 3.144 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1cccc(Br)c1 ZINC000415037941 237023134 /nfs/dbraw/zinc/02/31/34/237023134.db2.gz LOEHUNWJYSGZSH-BXUZGUMPSA-N 2 1 311.267 3.283 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1cccc(Br)c1 ZINC000415037945 237023304 /nfs/dbraw/zinc/02/33/04/237023304.db2.gz LOEHUNWJYSGZSH-RISCZKNCSA-N 2 1 311.267 3.283 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415038553 237026585 /nfs/dbraw/zinc/02/65/85/237026585.db2.gz HYFZAKHHXWISGM-WMZOPIPTSA-N 2 1 318.509 3.219 20 0 DGADMP OCCC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1 ZINC000415089785 237074604 /nfs/dbraw/zinc/07/46/04/237074604.db2.gz YBUPVFWWNVEWTE-ZWKOTPCHSA-N 2 1 302.462 3.012 20 0 DGADMP c1ccc2c(c1)C1C[C@H](C[NH2+][C@@H]3CC[NH2+]C3)C2c2ccccc21 ZINC000415099254 237076552 /nfs/dbraw/zinc/07/65/52/237076552.db2.gz GNKJXJMODQWHMB-VKFLQFAXSA-N 2 1 304.437 3.235 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000415129827 237101629 /nfs/dbraw/zinc/10/16/29/237101629.db2.gz PUVHISIAJQWASE-CMPLNLGQSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000415129827 237101641 /nfs/dbraw/zinc/10/16/41/237101641.db2.gz PUVHISIAJQWASE-CMPLNLGQSA-N 2 1 318.795 3.358 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000415133626 237103845 /nfs/dbraw/zinc/10/38/45/237103845.db2.gz VGVKPUDCLBTGQQ-MWLCHTKSSA-N 2 1 317.296 3.236 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000415133626 237103855 /nfs/dbraw/zinc/10/38/55/237103855.db2.gz VGVKPUDCLBTGQQ-MWLCHTKSSA-N 2 1 317.296 3.236 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000186838039 200020335 /nfs/dbraw/zinc/02/03/35/200020335.db2.gz POVVVMQUXYREFJ-DOTOQJQBSA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000186838039 200020336 /nfs/dbraw/zinc/02/03/36/200020336.db2.gz POVVVMQUXYREFJ-DOTOQJQBSA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000186838039 200020338 /nfs/dbraw/zinc/02/03/38/200020338.db2.gz POVVVMQUXYREFJ-DOTOQJQBSA-N 2 1 322.468 3.287 20 0 DGADMP c1cc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000420295782 237694205 /nfs/dbraw/zinc/69/42/05/237694205.db2.gz CSXBPGIAEZTLOG-INIZCTEOSA-N 2 1 314.473 3.366 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189084306 200345964 /nfs/dbraw/zinc/34/59/64/200345964.db2.gz WQWIAACCPMBWBP-ICSRJNTNSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1CN(c2cccc(F)c2)CCN1CC[C@@H]1CCCC[N@H+]1C ZINC000429239995 238044597 /nfs/dbraw/zinc/04/45/97/238044597.db2.gz SICCZLLYXJXBFR-AEFFLSMTSA-N 2 1 319.468 3.211 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000281256194 216189187 /nfs/dbraw/zinc/18/91/87/216189187.db2.gz OEVPPAMXBYVFBF-GFCCVEGCSA-N 2 1 300.368 3.320 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000429541159 238053789 /nfs/dbraw/zinc/05/37/89/238053789.db2.gz OCZMRBXEIASVEA-ZDUSSCGKSA-N 2 1 314.832 3.274 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000429541159 238053790 /nfs/dbraw/zinc/05/37/90/238053790.db2.gz OCZMRBXEIASVEA-ZDUSSCGKSA-N 2 1 314.832 3.274 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430546495 238079330 /nfs/dbraw/zinc/07/93/30/238079330.db2.gz XYHWMSQODAPLLB-NWDGAFQWSA-N 2 1 317.260 3.431 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000430589522 238080660 /nfs/dbraw/zinc/08/06/60/238080660.db2.gz IGPDVVBNXZVQTC-CQSZACIVSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000430589522 238080662 /nfs/dbraw/zinc/08/06/62/238080662.db2.gz IGPDVVBNXZVQTC-CQSZACIVSA-N 2 1 316.367 3.288 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430579867 238080710 /nfs/dbraw/zinc/08/07/10/238080710.db2.gz ZGBQTWLOFVWMCF-CVEARBPZSA-N 2 1 311.429 3.433 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430610450 238081893 /nfs/dbraw/zinc/08/18/93/238081893.db2.gz KZCZOFZPFOBNQY-QGZVFWFLSA-N 2 1 323.440 3.110 20 0 DGADMP Cc1ccc(Nc2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)cc1 ZINC000430617060 238081969 /nfs/dbraw/zinc/08/19/69/238081969.db2.gz JSOTVMWIJTXBPV-UHFFFAOYSA-N 2 1 316.474 3.366 20 0 DGADMP C[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430936652 238090503 /nfs/dbraw/zinc/09/05/03/238090503.db2.gz VPPPPNGOGXPQDQ-FXAWDEMLSA-N 2 1 324.468 3.462 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432418025 238127889 /nfs/dbraw/zinc/12/78/89/238127889.db2.gz YBPPNYRKCGDXCE-MSOLQXFVSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000271885217 209295231 /nfs/dbraw/zinc/29/52/31/209295231.db2.gz QPVIZBVMODYMMH-LLVKDONJSA-N 2 1 314.351 3.340 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCO ZINC000271873199 209286693 /nfs/dbraw/zinc/28/66/93/209286693.db2.gz NFYOAWIDELCRRC-MJGOQNOKSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCO ZINC000271873199 209286697 /nfs/dbraw/zinc/28/66/97/209286697.db2.gz NFYOAWIDELCRRC-MJGOQNOKSA-N 2 1 304.478 3.039 20 0 DGADMP CCCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271872204 209284849 /nfs/dbraw/zinc/28/48/49/209284849.db2.gz YEOHVPVZAKVKNT-UHFFFAOYSA-N 2 1 318.461 3.226 20 0 DGADMP C[N@H+](Cc1cnc(-c2ccco2)s1)CC1CC[NH+](C)CC1 ZINC000194379638 201213870 /nfs/dbraw/zinc/21/38/70/201213870.db2.gz WQLAMWXHMCYWFM-UHFFFAOYSA-N 2 1 305.447 3.177 20 0 DGADMP CC(C)OC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000135096777 432098193 /nfs/dbraw/zinc/09/81/93/432098193.db2.gz ZYSKRGAWPDQFTG-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441431918 239050371 /nfs/dbraw/zinc/05/03/71/239050371.db2.gz CTGIZCXKYOURRE-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441431918 239050377 /nfs/dbraw/zinc/05/03/77/239050377.db2.gz CTGIZCXKYOURRE-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000135096777 432098186 /nfs/dbraw/zinc/09/81/86/432098186.db2.gz ZYSKRGAWPDQFTG-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000135096777 432098187 /nfs/dbraw/zinc/09/81/87/432098187.db2.gz ZYSKRGAWPDQFTG-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP CC(C)OC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000135096777 432098190 /nfs/dbraw/zinc/09/81/90/432098190.db2.gz ZYSKRGAWPDQFTG-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000442770758 239121005 /nfs/dbraw/zinc/12/10/05/239121005.db2.gz QSRNLVRTXMPFPB-NEPJUHHUSA-N 2 1 305.809 3.164 20 0 DGADMP COCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000442786673 239122828 /nfs/dbraw/zinc/12/28/28/239122828.db2.gz VYRZVDBUAAXMCQ-JLSDUUJJSA-N 2 1 308.441 3.366 20 0 DGADMP COCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000442786673 239122831 /nfs/dbraw/zinc/12/28/31/239122831.db2.gz VYRZVDBUAAXMCQ-JLSDUUJJSA-N 2 1 308.441 3.366 20 0 DGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000275663595 212469394 /nfs/dbraw/zinc/46/93/94/212469394.db2.gz XVYIYHIGXPKIDZ-GBESFXJTSA-N 2 1 309.457 3.447 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000442926336 239153184 /nfs/dbraw/zinc/15/31/84/239153184.db2.gz YKECDHAGIIIGAR-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000443212794 239184245 /nfs/dbraw/zinc/18/42/45/239184245.db2.gz FKNJEENEMFUOKD-DMUMMCEESA-N 2 1 315.505 3.203 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000443200135 239184440 /nfs/dbraw/zinc/18/44/40/239184440.db2.gz FVKAIRYCHQFIHN-FEHORTKBSA-N 2 1 315.505 3.059 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000443200135 239184443 /nfs/dbraw/zinc/18/44/43/239184443.db2.gz FVKAIRYCHQFIHN-FEHORTKBSA-N 2 1 315.505 3.059 20 0 DGADMP Cc1cc(N2CC[N@H+](C)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000443431968 239201511 /nfs/dbraw/zinc/20/15/11/239201511.db2.gz SFUHDFSJWMXNMZ-GFCCVEGCSA-N 2 1 321.371 3.285 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000195443881 201391440 /nfs/dbraw/zinc/39/14/40/201391440.db2.gz CFFZYVZOZOLIJC-INIZCTEOSA-N 2 1 322.880 3.239 20 0 DGADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(OC(F)F)cc1C ZINC000271847133 209264921 /nfs/dbraw/zinc/26/49/21/209264921.db2.gz HBCMWZHKVIWFAR-UHFFFAOYSA-N 2 1 310.388 3.256 20 0 DGADMP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000271811125 209235026 /nfs/dbraw/zinc/23/50/26/209235026.db2.gz AUVOMNKQQHYKIW-IBGZPJMESA-N 2 1 316.489 3.038 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2)[C@H](C)C1 ZINC000449138101 240035173 /nfs/dbraw/zinc/03/51/73/240035173.db2.gz HFHPKOOPQKNPQY-RHSMWYFYSA-N 2 1 310.507 3.283 20 0 DGADMP CC(C)COc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449077433 240006797 /nfs/dbraw/zinc/00/67/97/240006797.db2.gz RRNOXWGAJTVWFS-INIZCTEOSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)COc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449077433 240006800 /nfs/dbraw/zinc/00/68/00/240006800.db2.gz RRNOXWGAJTVWFS-INIZCTEOSA-N 2 1 302.462 3.295 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449081863 240009602 /nfs/dbraw/zinc/00/96/02/240009602.db2.gz IPFUFTTYEIDLQC-IRXDYDNUSA-N 2 1 318.509 3.456 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449091583 240012473 /nfs/dbraw/zinc/01/24/73/240012473.db2.gz QJXYWUUQSXDVBL-UHFFFAOYSA-N 2 1 305.466 3.442 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000449209337 240069639 /nfs/dbraw/zinc/06/96/39/240069639.db2.gz PLHUEWLAXSRSQQ-QGZVFWFLSA-N 2 1 304.478 3.461 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000449209337 240069641 /nfs/dbraw/zinc/06/96/41/240069641.db2.gz PLHUEWLAXSRSQQ-QGZVFWFLSA-N 2 1 304.478 3.461 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](COC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000449481643 240233784 /nfs/dbraw/zinc/23/37/84/240233784.db2.gz UWNOOIXRTVOOJN-ZVZYQTTQSA-N 2 1 324.896 3.390 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000171141578 432106490 /nfs/dbraw/zinc/10/64/90/432106490.db2.gz HRSSNGDNNIJMKL-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000092001073 193139114 /nfs/dbraw/zinc/13/91/14/193139114.db2.gz CPBJQPLHYCSQDF-LSDHHAIUSA-N 2 1 323.278 3.474 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683336 284013550 /nfs/dbraw/zinc/01/35/50/284013550.db2.gz GFDICAXVHZLEAJ-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683336 284013555 /nfs/dbraw/zinc/01/35/55/284013555.db2.gz GFDICAXVHZLEAJ-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccc2oc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc2c1 ZINC000092253975 193180891 /nfs/dbraw/zinc/18/08/91/193180891.db2.gz OJGBUCKUWVFUDS-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc2c1 ZINC000092253975 193180893 /nfs/dbraw/zinc/18/08/93/193180893.db2.gz OJGBUCKUWVFUDS-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP COc1ccc2oc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc2c1 ZINC000092253975 193180894 /nfs/dbraw/zinc/18/08/94/193180894.db2.gz OJGBUCKUWVFUDS-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP COc1ccc2oc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc2c1 ZINC000092253975 193180896 /nfs/dbraw/zinc/18/08/96/193180896.db2.gz OJGBUCKUWVFUDS-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000268840142 296122113 /nfs/dbraw/zinc/12/21/13/296122113.db2.gz AJPZNJFVZGIYTE-WBVHZDCISA-N 2 1 316.445 3.320 20 0 DGADMP c1ccc(CO[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459446977 243374273 /nfs/dbraw/zinc/37/42/73/243374273.db2.gz QGTDSUYTMOKYNQ-UXHICEINSA-N 2 1 314.473 3.341 20 0 DGADMP CC(C)(C)C1CCC(O)(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459421305 243364468 /nfs/dbraw/zinc/36/44/68/243364468.db2.gz YQKNDUXZPOQPTQ-UHFFFAOYSA-N 2 1 308.510 3.170 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459435169 243367948 /nfs/dbraw/zinc/36/79/48/243367948.db2.gz WPIYPLFBQFZVPQ-RISCZKNCSA-N 2 1 318.490 3.154 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000459435169 243367952 /nfs/dbraw/zinc/36/79/52/243367952.db2.gz WPIYPLFBQFZVPQ-RISCZKNCSA-N 2 1 318.490 3.154 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000246311297 432118608 /nfs/dbraw/zinc/11/86/08/432118608.db2.gz DSKQGOPEXKCKMW-CVEARBPZSA-N 2 1 318.461 3.434 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cncs2)CC1 ZINC000093006758 193193218 /nfs/dbraw/zinc/19/32/18/193193218.db2.gz DKYVUWIHDNDVRF-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882941 296135559 /nfs/dbraw/zinc/13/55/59/296135559.db2.gz PPTOKNPDUBRFJK-SQGPQFPESA-N 2 1 315.505 3.149 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)s2)cc1 ZINC000469856735 244128939 /nfs/dbraw/zinc/12/89/39/244128939.db2.gz PHOHHVBUISGMGR-UONOGXRCSA-N 2 1 301.459 3.288 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000470108035 244143311 /nfs/dbraw/zinc/14/33/11/244143311.db2.gz SCRNAQNKDVGDPH-BMGDILEWSA-N 2 1 320.452 3.229 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000470108035 244143313 /nfs/dbraw/zinc/14/33/13/244143313.db2.gz SCRNAQNKDVGDPH-BMGDILEWSA-N 2 1 320.452 3.229 20 0 DGADMP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471852505 244258302 /nfs/dbraw/zinc/25/83/02/244258302.db2.gz VZEXWMNAVFFXER-RBUKOAKNSA-N 2 1 304.478 3.084 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000471836224 244256752 /nfs/dbraw/zinc/25/67/52/244256752.db2.gz IFLXGTGJRQTWIU-PMACEKPBSA-N 2 1 316.489 3.085 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000474069588 244365243 /nfs/dbraw/zinc/36/52/43/244365243.db2.gz WKFPHNCFYXOHBQ-LWYYNNOASA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000474069588 244365247 /nfs/dbraw/zinc/36/52/47/244365247.db2.gz WKFPHNCFYXOHBQ-LWYYNNOASA-N 2 1 320.521 3.436 20 0 DGADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000119621144 284147189 /nfs/dbraw/zinc/14/71/89/284147189.db2.gz KBEKUMVBPWSKLD-GOSISDBHSA-N 2 1 324.428 3.176 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000093563654 193268240 /nfs/dbraw/zinc/26/82/40/193268240.db2.gz UWVDZNWFWSCMKT-SFHVURJKSA-N 2 1 318.509 3.360 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000093563654 193268242 /nfs/dbraw/zinc/26/82/42/193268242.db2.gz UWVDZNWFWSCMKT-SFHVURJKSA-N 2 1 318.509 3.360 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000093769413 193302564 /nfs/dbraw/zinc/30/25/64/193302564.db2.gz QTLRAANQNQPJQF-UHFFFAOYSA-N 2 1 308.466 3.158 20 0 DGADMP CC[N@H+](CC1=CCCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818827 193313200 /nfs/dbraw/zinc/31/32/00/193313200.db2.gz SQHBGDYWPOAUSV-LJQANCHMSA-N 2 1 314.473 3.177 20 0 DGADMP CC[NH+](CC1=CCCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818827 193313202 /nfs/dbraw/zinc/31/32/02/193313202.db2.gz SQHBGDYWPOAUSV-LJQANCHMSA-N 2 1 314.473 3.177 20 0 DGADMP CC[NH+](CC1=CCCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818827 193313204 /nfs/dbraw/zinc/31/32/04/193313204.db2.gz SQHBGDYWPOAUSV-LJQANCHMSA-N 2 1 314.473 3.177 20 0 DGADMP Cc1ccc(-c2ncc(CN(C)C[C@@H]3CC[N@@H+](C)C3)s2)o1 ZINC000120910333 284181467 /nfs/dbraw/zinc/18/14/67/284181467.db2.gz VLPXBJZRJRROML-CYBMUJFWSA-N 2 1 305.447 3.095 20 0 DGADMP CCc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121672708 284203399 /nfs/dbraw/zinc/20/33/99/284203399.db2.gz NEXITJKXVLNQEK-OAHLLOKOSA-N 2 1 320.481 3.281 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000487313887 245049745 /nfs/dbraw/zinc/04/97/45/245049745.db2.gz DTAALRZHXWLHKS-JFRXWTBNSA-N 2 1 318.530 3.486 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000490050383 245376605 /nfs/dbraw/zinc/37/66/05/245376605.db2.gz YURPOLTWCPNFJU-IAGOWNOFSA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000490050383 245376607 /nfs/dbraw/zinc/37/66/07/245376607.db2.gz YURPOLTWCPNFJU-IAGOWNOFSA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000490050383 245376610 /nfs/dbraw/zinc/37/66/10/245376610.db2.gz YURPOLTWCPNFJU-IAGOWNOFSA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000490050383 245376615 /nfs/dbraw/zinc/37/66/15/245376615.db2.gz YURPOLTWCPNFJU-IAGOWNOFSA-N 2 1 310.869 3.444 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268713594 432124655 /nfs/dbraw/zinc/12/46/55/432124655.db2.gz LIWOZNZLIVWLRX-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000268713594 432124659 /nfs/dbraw/zinc/12/46/59/432124659.db2.gz LIWOZNZLIVWLRX-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000125939461 284288426 /nfs/dbraw/zinc/28/84/26/284288426.db2.gz OVARYICDNQAGIZ-WBVHZDCISA-N 2 1 303.475 3.259 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000282541363 217074198 /nfs/dbraw/zinc/07/41/98/217074198.db2.gz BUSQGANXTLGCJC-DZGCQCFKSA-N 2 1 303.837 3.320 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282573181 217097846 /nfs/dbraw/zinc/09/78/46/217097846.db2.gz ZBNDRDQAXZTKQW-JZXOWHBKSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282573181 217097849 /nfs/dbraw/zinc/09/78/49/217097849.db2.gz ZBNDRDQAXZTKQW-JZXOWHBKSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000268732247 432126219 /nfs/dbraw/zinc/12/62/19/432126219.db2.gz MRMDCLCKLUSXRO-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000268732247 432126222 /nfs/dbraw/zinc/12/62/22/432126222.db2.gz MRMDCLCKLUSXRO-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999890 217379200 /nfs/dbraw/zinc/37/92/00/217379200.db2.gz NTITXENNBBBJEE-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000282999890 217379202 /nfs/dbraw/zinc/37/92/02/217379202.db2.gz NTITXENNBBBJEE-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000020189942 182195490 /nfs/dbraw/zinc/19/54/90/182195490.db2.gz SHAWFCDREGRIFD-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493901351 246094089 /nfs/dbraw/zinc/09/40/89/246094089.db2.gz TVIJBCGTILBDPI-MTHXSQLBSA-N 2 1 320.521 3.292 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493944684 246098086 /nfs/dbraw/zinc/09/80/86/246098086.db2.gz KBHJNCQHLOBMHD-WMZOPIPTSA-N 2 1 302.462 3.090 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493976420 246103012 /nfs/dbraw/zinc/10/30/12/246103012.db2.gz JCESBOGKTQSETD-FCGDIQPGSA-N 2 1 320.521 3.434 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493976421 246103312 /nfs/dbraw/zinc/10/33/12/246103312.db2.gz JCESBOGKTQSETD-NCXUSEDFSA-N 2 1 320.521 3.434 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1 ZINC000268788064 432134220 /nfs/dbraw/zinc/13/42/20/432134220.db2.gz CEUXGOZVGNUQGV-HUUCEWRRSA-N 2 1 309.417 3.117 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000494643045 246176097 /nfs/dbraw/zinc/17/60/97/246176097.db2.gz MLCRLXCLQRZUIR-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000494643045 246176100 /nfs/dbraw/zinc/17/61/00/246176100.db2.gz MLCRLXCLQRZUIR-ZJPYXAASSA-N 2 1 306.494 3.044 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000135010617 284457853 /nfs/dbraw/zinc/45/78/53/284457853.db2.gz DSIZITWSUDXJKK-LBPRGKRZSA-N 2 1 304.463 3.268 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nccs1 ZINC000268805937 432137986 /nfs/dbraw/zinc/13/79/86/432137986.db2.gz KQGGWXORLMFCIE-WBVHZDCISA-N 2 1 315.486 3.186 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268803220 432138874 /nfs/dbraw/zinc/13/88/74/432138874.db2.gz ZIVBESJENQYFGV-IPELMVKDSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268803220 432138878 /nfs/dbraw/zinc/13/88/78/432138878.db2.gz ZIVBESJENQYFGV-IPELMVKDSA-N 2 1 302.462 3.233 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246534860 432141493 /nfs/dbraw/zinc/14/14/93/432141493.db2.gz VNJZBEDWVFNKOU-RLFYNMQTSA-N 2 1 304.478 3.291 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267888696 206319624 /nfs/dbraw/zinc/31/96/24/206319624.db2.gz SASAZRDIXLPIKH-LPHOPBHVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000267888696 206319627 /nfs/dbraw/zinc/31/96/27/206319627.db2.gz SASAZRDIXLPIKH-LPHOPBHVSA-N 2 1 302.462 3.056 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OCC ZINC000268833420 432145014 /nfs/dbraw/zinc/14/50/14/432145014.db2.gz SYNLNRLXOYEPQE-AWEZNQCLSA-N 2 1 317.433 3.340 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCOC1 ZINC000268881892 432145880 /nfs/dbraw/zinc/14/58/80/432145880.db2.gz KDJDVDSADKNHEJ-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCOC1 ZINC000268881892 432145882 /nfs/dbraw/zinc/14/58/82/432145882.db2.gz KDJDVDSADKNHEJ-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000181704713 296313200 /nfs/dbraw/zinc/31/32/00/296313200.db2.gz VJJRPRPNPICIMZ-GUDVDZBRSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000181704713 296313201 /nfs/dbraw/zinc/31/32/01/296313201.db2.gz VJJRPRPNPICIMZ-GUDVDZBRSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000181704713 296313202 /nfs/dbraw/zinc/31/32/02/296313202.db2.gz VJJRPRPNPICIMZ-GUDVDZBRSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000181704713 296313204 /nfs/dbraw/zinc/31/32/04/296313204.db2.gz VJJRPRPNPICIMZ-GUDVDZBRSA-N 2 1 324.509 3.116 20 0 DGADMP CC(C)COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268864192 207033353 /nfs/dbraw/zinc/03/33/53/207033353.db2.gz WCPKLHWKPRLONA-MJGOQNOKSA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268864192 207033360 /nfs/dbraw/zinc/03/33/60/207033360.db2.gz WCPKLHWKPRLONA-MJGOQNOKSA-N 2 1 304.478 3.159 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268873793 207042794 /nfs/dbraw/zinc/04/27/94/207042794.db2.gz JSOJIWHRKXCNNZ-PMUMKWKESA-N 2 1 301.434 3.238 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245947299 284858188 /nfs/dbraw/zinc/85/81/88/284858188.db2.gz VWFXLXHRYZKPIH-DJIMGWMZSA-N 2 1 307.482 3.257 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268898937 207067787 /nfs/dbraw/zinc/06/77/87/207067787.db2.gz PUVYEPTZODZLIJ-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000268889464 207059386 /nfs/dbraw/zinc/05/93/86/207059386.db2.gz JEHVCBDJNACJOG-PKOBYXMFSA-N 2 1 304.478 3.191 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)C[NH+]1CCCCC1 ZINC000062708212 184248930 /nfs/dbraw/zinc/24/89/30/184248930.db2.gz PCSNOIXQAALKCT-LBPRGKRZSA-N 2 1 300.368 3.316 20 0 DGADMP COC(=O)c1oc([C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000269135518 207266825 /nfs/dbraw/zinc/26/68/25/207266825.db2.gz QUDHXAILXVUOES-LBPRGKRZSA-N 2 1 317.389 3.038 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248634163 285012856 /nfs/dbraw/zinc/01/28/56/285012856.db2.gz JKDQXJRWICXUDE-DOHHPOSVSA-N 2 1 316.489 3.433 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000449433009 285013504 /nfs/dbraw/zinc/01/35/04/285013504.db2.gz KKAHUBFSODYWRI-ZFWWWQNUSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248721603 285019907 /nfs/dbraw/zinc/01/99/07/285019907.db2.gz FMIHINAWTCFHLR-MTHXSQLBSA-N 2 1 320.521 3.292 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000173786706 532988171 /nfs/dbraw/zinc/98/81/71/532988171.db2.gz QADBTYOEEATVKE-MRXNPFEDSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000173786706 532988174 /nfs/dbraw/zinc/98/81/74/532988174.db2.gz QADBTYOEEATVKE-MRXNPFEDSA-N 2 1 320.502 3.205 20 0 DGADMP C=Cn1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000248875537 285034977 /nfs/dbraw/zinc/03/49/77/285034977.db2.gz JGTJPOWIEIZDEC-YRWFTTLQSA-N 2 1 324.472 3.230 20 0 DGADMP C=Cn1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000248875537 285034981 /nfs/dbraw/zinc/03/49/81/285034981.db2.gz JGTJPOWIEIZDEC-YRWFTTLQSA-N 2 1 324.472 3.230 20 0 DGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422885075 532993003 /nfs/dbraw/zinc/99/30/03/532993003.db2.gz TZHIWLOQYBIAKR-QUCCMNQESA-N 2 1 317.521 3.047 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000248995246 285044251 /nfs/dbraw/zinc/04/42/51/285044251.db2.gz GNWZRXWZMOBOEZ-GUDVDZBRSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000269989984 208039726 /nfs/dbraw/zinc/03/97/26/208039726.db2.gz UNYXGWPLYKXXTD-PMACEKPBSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000269989984 208039732 /nfs/dbraw/zinc/03/97/32/208039732.db2.gz UNYXGWPLYKXXTD-PMACEKPBSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000269989984 208039734 /nfs/dbraw/zinc/03/97/34/208039734.db2.gz UNYXGWPLYKXXTD-PMACEKPBSA-N 2 1 315.505 3.245 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CC)c2)[C@H](C)C1 ZINC000249367831 285070072 /nfs/dbraw/zinc/07/00/72/285070072.db2.gz OOIRNKAYMIZVAD-XLIONFOSSA-N 2 1 318.505 3.476 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249575700 285080961 /nfs/dbraw/zinc/08/09/61/285080961.db2.gz PMZBYSKBCRVGKK-RXVVDRJESA-N 2 1 324.468 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249575700 285080964 /nfs/dbraw/zinc/08/09/64/285080964.db2.gz PMZBYSKBCRVGKK-RXVVDRJESA-N 2 1 324.468 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249575700 285080969 /nfs/dbraw/zinc/08/09/69/285080969.db2.gz PMZBYSKBCRVGKK-RXVVDRJESA-N 2 1 324.468 3.316 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249575700 285080973 /nfs/dbraw/zinc/08/09/73/285080973.db2.gz PMZBYSKBCRVGKK-RXVVDRJESA-N 2 1 324.468 3.316 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373542 253100352 /nfs/dbraw/zinc/10/03/52/253100352.db2.gz FGZCFHKAUCSVCZ-CVEARBPZSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373542 253100354 /nfs/dbraw/zinc/10/03/54/253100354.db2.gz FGZCFHKAUCSVCZ-CVEARBPZSA-N 2 1 322.493 3.263 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000337382807 253102007 /nfs/dbraw/zinc/10/20/07/253102007.db2.gz JTVKGWWHGYWXQW-SFHVURJKSA-N 2 1 313.445 3.427 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000337382807 253102010 /nfs/dbraw/zinc/10/20/10/253102010.db2.gz JTVKGWWHGYWXQW-SFHVURJKSA-N 2 1 313.445 3.427 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000337413937 253111462 /nfs/dbraw/zinc/11/14/62/253111462.db2.gz YKIXSMYLGHFEBH-INIZCTEOSA-N 2 1 322.493 3.263 20 0 DGADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430565391 533046107 /nfs/dbraw/zinc/04/61/07/533046107.db2.gz FSACHJCBGSWRRU-AWEZNQCLSA-N 2 1 323.506 3.042 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OCCC(C)C ZINC000337764709 253171299 /nfs/dbraw/zinc/17/12/99/253171299.db2.gz RQFNNVXFDNTPAU-LJQANCHMSA-N 2 1 320.477 3.291 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OCCC(C)C ZINC000337764709 253171300 /nfs/dbraw/zinc/17/13/00/253171300.db2.gz RQFNNVXFDNTPAU-LJQANCHMSA-N 2 1 320.477 3.291 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000338013519 253210343 /nfs/dbraw/zinc/21/03/43/253210343.db2.gz UTZHTCBTRRUCAS-IBGZPJMESA-N 2 1 324.403 3.495 20 0 DGADMP C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338040831 253214797 /nfs/dbraw/zinc/21/47/97/253214797.db2.gz SMCPNYOECJARAB-BRWVUGGUSA-N 2 1 323.525 3.019 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000337950193 253199367 /nfs/dbraw/zinc/19/93/67/253199367.db2.gz DBHVKWNTHVZFSR-UHFFFAOYSA-N 2 1 304.463 3.486 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196933 253241073 /nfs/dbraw/zinc/24/10/73/253241073.db2.gz OCIACCTVYYBGBI-XLIONFOSSA-N 2 1 324.472 3.082 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196933 253241075 /nfs/dbraw/zinc/24/10/75/253241075.db2.gz OCIACCTVYYBGBI-XLIONFOSSA-N 2 1 324.472 3.082 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000252696187 285104231 /nfs/dbraw/zinc/10/42/31/285104231.db2.gz MZJXUBPVKIODGS-KBPBESRZSA-N 2 1 309.523 3.303 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000338164864 253234384 /nfs/dbraw/zinc/23/43/84/253234384.db2.gz SYOIANMBEBAHCJ-UHFFFAOYSA-N 2 1 320.506 3.259 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338186467 253239269 /nfs/dbraw/zinc/23/92/69/253239269.db2.gz AXVLUFVQJIESJH-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338186467 253239270 /nfs/dbraw/zinc/23/92/70/253239270.db2.gz AXVLUFVQJIESJH-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338430007 253286424 /nfs/dbraw/zinc/28/64/24/253286424.db2.gz ISXZXYXVLLRUHN-XWTMOSNGSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338430007 253286426 /nfs/dbraw/zinc/28/64/26/253286426.db2.gz ISXZXYXVLLRUHN-XWTMOSNGSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338430007 253286428 /nfs/dbraw/zinc/28/64/28/253286428.db2.gz ISXZXYXVLLRUHN-XWTMOSNGSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000339095839 253406031 /nfs/dbraw/zinc/40/60/31/253406031.db2.gz KHOMSABNGLMXSJ-TVKQPGBESA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000339095839 253406033 /nfs/dbraw/zinc/40/60/33/253406033.db2.gz KHOMSABNGLMXSJ-TVKQPGBESA-N 2 1 316.489 3.443 20 0 DGADMP CCc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc(C)[nH+]1 ZINC000272894476 210283629 /nfs/dbraw/zinc/28/36/29/210283629.db2.gz OKLZKBWMVSYEBO-UHFFFAOYSA-N 2 1 311.433 3.071 20 0 DGADMP Cc1ccnc(OC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000272894714 210282948 /nfs/dbraw/zinc/28/29/48/210282948.db2.gz FJEKGELXZOAFMW-KRWDZBQOSA-N 2 1 317.477 3.108 20 0 DGADMP Cc1ccnc(OC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000272894714 210282951 /nfs/dbraw/zinc/28/29/51/210282951.db2.gz FJEKGELXZOAFMW-KRWDZBQOSA-N 2 1 317.477 3.108 20 0 DGADMP Cc1cccc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000157896521 197224710 /nfs/dbraw/zinc/22/47/10/197224710.db2.gz SQRZBMSXCAXZCD-CALCHBBNSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000157896521 197224711 /nfs/dbraw/zinc/22/47/11/197224711.db2.gz SQRZBMSXCAXZCD-CALCHBBNSA-N 2 1 317.477 3.106 20 0 DGADMP CCC1CC([NH2+][C@@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000342704942 254035548 /nfs/dbraw/zinc/03/55/48/254035548.db2.gz YZDKNSJJHOLFQY-KVZIAJEVSA-N 2 1 304.478 3.474 20 0 DGADMP CCC1CC([NH2+][C@@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000342704942 254035550 /nfs/dbraw/zinc/03/55/50/254035550.db2.gz YZDKNSJJHOLFQY-KVZIAJEVSA-N 2 1 304.478 3.474 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342826055 254060907 /nfs/dbraw/zinc/06/09/07/254060907.db2.gz SACAGVZRNYSVKQ-MAUKXSAKSA-N 2 1 324.472 3.092 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342826055 254060909 /nfs/dbraw/zinc/06/09/09/254060909.db2.gz SACAGVZRNYSVKQ-MAUKXSAKSA-N 2 1 324.472 3.092 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000342865267 254067539 /nfs/dbraw/zinc/06/75/39/254067539.db2.gz UDXDMAIGVCPUPG-ZACQAIPSSA-N 2 1 305.466 3.107 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000342865267 254067541 /nfs/dbraw/zinc/06/75/41/254067541.db2.gz UDXDMAIGVCPUPG-ZACQAIPSSA-N 2 1 305.466 3.107 20 0 DGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076988 254095503 /nfs/dbraw/zinc/09/55/03/254095503.db2.gz YOBBQAIQJZUKGK-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076988 254095504 /nfs/dbraw/zinc/09/55/04/254095504.db2.gz YOBBQAIQJZUKGK-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)o1 ZINC000343602996 254166903 /nfs/dbraw/zinc/16/69/03/254166903.db2.gz FYTSMUOYOVSXPC-ZIAGYGMSSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)s2)o1 ZINC000343602996 254166904 /nfs/dbraw/zinc/16/69/04/254166904.db2.gz FYTSMUOYOVSXPC-ZIAGYGMSSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1N(C)C ZINC000344067752 254220617 /nfs/dbraw/zinc/22/06/17/254220617.db2.gz JJGUBGQDPFCBNI-UHFFFAOYSA-N 2 1 300.450 3.170 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1N(C)C ZINC000344067752 254220618 /nfs/dbraw/zinc/22/06/18/254220618.db2.gz JJGUBGQDPFCBNI-UHFFFAOYSA-N 2 1 300.450 3.170 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000344471154 254274411 /nfs/dbraw/zinc/27/44/11/254274411.db2.gz IDFDTDXQACHLRX-UHFFFAOYSA-N 2 1 305.447 3.177 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344541695 254280976 /nfs/dbraw/zinc/28/09/76/254280976.db2.gz WFMWVBURGRZHLW-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344541695 254280978 /nfs/dbraw/zinc/28/09/78/254280978.db2.gz WFMWVBURGRZHLW-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP CCCOc1c(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1OCC ZINC000344686452 254295811 /nfs/dbraw/zinc/29/58/11/254295811.db2.gz RVFBUZGSYFDCHD-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP CCCOc1c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cccc1OCC ZINC000344686452 254295813 /nfs/dbraw/zinc/29/58/13/254295813.db2.gz RVFBUZGSYFDCHD-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP CC[N@@H+](CCOc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345206334 254340978 /nfs/dbraw/zinc/34/09/78/254340978.db2.gz PJVNKQDZVYRPFX-AWEZNQCLSA-N 2 1 314.832 3.322 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OCC ZINC000345209394 254341000 /nfs/dbraw/zinc/34/10/00/254341000.db2.gz DMEWDGIPMKXQFH-HUUCEWRRSA-N 2 1 308.466 3.475 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000345675609 254386540 /nfs/dbraw/zinc/38/65/40/254386540.db2.gz LMVKTQAPOPIXDD-AWEZNQCLSA-N 2 1 306.498 3.472 20 0 DGADMP C[C@H](c1nnc(-c2cccs2)o1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345767052 254395267 /nfs/dbraw/zinc/39/52/67/254395267.db2.gz GSZBLWFMDCNDLC-OLZOCXBDSA-N 2 1 320.462 3.133 20 0 DGADMP COc1cccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1OC ZINC000155216605 197033026 /nfs/dbraw/zinc/03/30/26/197033026.db2.gz MTVGPZFXDXWJFS-MRXNPFEDSA-N 2 1 306.450 3.010 20 0 DGADMP COCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000294634902 533169610 /nfs/dbraw/zinc/16/96/10/533169610.db2.gz APKPDXBWKFNVLX-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423369819 533189511 /nfs/dbraw/zinc/18/95/11/533189511.db2.gz OURVWRHUYDMHII-UGSOOPFHSA-N 2 1 302.393 3.055 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c(OC)c1 ZINC000120419612 195162546 /nfs/dbraw/zinc/16/25/46/195162546.db2.gz HSVCPSXMNMWKOB-HNNXBMFYSA-N 2 1 306.450 3.230 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccncc2C)C1 ZINC000120553824 195188809 /nfs/dbraw/zinc/18/88/09/195188809.db2.gz LMXQWEJYCLUKAQ-OAHLLOKOSA-N 2 1 318.465 3.412 20 0 DGADMP CC(C)(CCCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000271580951 209031435 /nfs/dbraw/zinc/03/14/35/209031435.db2.gz VIQFOSKTLQRSAL-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000271593302 209043355 /nfs/dbraw/zinc/04/33/55/209043355.db2.gz TZXHFFJZNUZZHO-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000271593302 209043358 /nfs/dbraw/zinc/04/33/58/209043358.db2.gz TZXHFFJZNUZZHO-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP C=Cn1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289780600 221221009 /nfs/dbraw/zinc/22/10/09/221221009.db2.gz RPEKWPYDPJMSNF-HXUWFJFHSA-N 2 1 322.456 3.082 20 0 DGADMP COC[C@@]1(C[NH2+][C@H](c2cccs2)C2CCCC2)CCC[NH2+]1 ZINC000423414218 285325594 /nfs/dbraw/zinc/32/55/94/285325594.db2.gz MGZCINRLYRCVDK-IRXDYDNUSA-N 2 1 308.491 3.338 20 0 DGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000353535633 285360981 /nfs/dbraw/zinc/36/09/81/285360981.db2.gz KQIHVINASQODOK-XHSDSOJGSA-N 2 1 312.498 3.064 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(CO)c1 ZINC000121046884 195287480 /nfs/dbraw/zinc/28/74/80/195287480.db2.gz QQVIVRCFSOSMQI-KRWDZBQOSA-N 2 1 312.457 3.352 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(CO)c1 ZINC000121084949 195292232 /nfs/dbraw/zinc/29/22/32/195292232.db2.gz XLDWXINWBWXRKW-MRXNPFEDSA-N 2 1 304.478 3.484 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000121587917 195310967 /nfs/dbraw/zinc/31/09/67/195310967.db2.gz IBQOHEVLCXUUQO-JKSUJKDBSA-N 2 1 317.477 3.418 20 0 DGADMP COCCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420300139 533255999 /nfs/dbraw/zinc/25/59/99/533255999.db2.gz HIPPGQHOAXUGQO-GOSISDBHSA-N 2 1 304.478 3.305 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000435374082 533356325 /nfs/dbraw/zinc/35/63/25/533356325.db2.gz HDPBGLNPAVGWLD-VUCTXSBTSA-N 2 1 300.402 3.001 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(C)c1OC(F)F ZINC000442919895 533601115 /nfs/dbraw/zinc/60/11/15/533601115.db2.gz KEGKDAUTAOJOAY-AWEZNQCLSA-N 2 1 312.404 3.466 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933721 132127498 /nfs/dbraw/zinc/12/74/98/132127498.db2.gz RYZPRVZWGZBYFK-PXNSSMCTSA-N 3 1 315.505 3.102 20 0 DGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933721 132127500 /nfs/dbraw/zinc/12/75/00/132127500.db2.gz RYZPRVZWGZBYFK-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1cnccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584820278 400109415 /nfs/dbraw/zinc/10/94/15/400109415.db2.gz AKEWQYLEHUORON-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584820278 400109425 /nfs/dbraw/zinc/10/94/25/400109425.db2.gz AKEWQYLEHUORON-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584820278 400109434 /nfs/dbraw/zinc/10/94/34/400109434.db2.gz AKEWQYLEHUORON-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]21 ZINC000322823321 400175677 /nfs/dbraw/zinc/17/56/77/400175677.db2.gz HKBCIRIOQNXPNG-VNQPRFMTSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]21 ZINC000322823321 400175683 /nfs/dbraw/zinc/17/56/83/400175683.db2.gz HKBCIRIOQNXPNG-VNQPRFMTSA-N 2 1 315.392 3.040 20 0 DGADMP COc1cccnc1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788622 400131592 /nfs/dbraw/zinc/13/15/92/400131592.db2.gz NZUBEIVTURVFQM-RDJZCZTQSA-N 2 1 311.429 3.413 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000069249057 400319339 /nfs/dbraw/zinc/31/93/39/400319339.db2.gz KITOIISYNYKDIL-IBGZPJMESA-N 2 1 318.509 3.088 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000069249057 400319341 /nfs/dbraw/zinc/31/93/41/400319341.db2.gz KITOIISYNYKDIL-IBGZPJMESA-N 2 1 318.509 3.088 20 0 DGADMP FC(F)Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112119885 400370269 /nfs/dbraw/zinc/37/02/69/400370269.db2.gz YPXXSCIBEZQJHP-UHFFFAOYSA-N 2 1 319.355 3.005 20 0 DGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000112638949 400375751 /nfs/dbraw/zinc/37/57/51/400375751.db2.gz RNTPCIJGFBGDGM-FQEVSTJZSA-N 2 1 323.484 3.052 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000040622804 400401672 /nfs/dbraw/zinc/40/16/72/400401672.db2.gz LZQBAWKXPMFTRZ-NSHDSACASA-N 2 1 317.296 3.331 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000040622804 400401677 /nfs/dbraw/zinc/40/16/77/400401677.db2.gz LZQBAWKXPMFTRZ-NSHDSACASA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CCC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000121802213 400457808 /nfs/dbraw/zinc/45/78/08/400457808.db2.gz DKEHKPOSBFYWQS-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000121802213 400457812 /nfs/dbraw/zinc/45/78/12/400457812.db2.gz DKEHKPOSBFYWQS-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000121802213 400457817 /nfs/dbraw/zinc/45/78/17/400457817.db2.gz DKEHKPOSBFYWQS-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000597057147 400547870 /nfs/dbraw/zinc/54/78/70/400547870.db2.gz LNFPXQXYRUVXRZ-INIZCTEOSA-N 2 1 324.440 3.068 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000591701407 400551443 /nfs/dbraw/zinc/55/14/43/400551443.db2.gz SSOOPWMXLYNIQX-OAHLLOKOSA-N 2 1 321.428 3.074 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000131614276 400552084 /nfs/dbraw/zinc/55/20/84/400552084.db2.gz AEWYLSSUEGNDPS-UHFFFAOYSA-N 2 1 304.459 3.102 20 0 DGADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000131603562 400552191 /nfs/dbraw/zinc/55/21/91/400552191.db2.gz YUVHAYDCFMAAGB-QGZVFWFLSA-N 2 1 321.465 3.027 20 0 DGADMP CCOC(=O)CC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000131603562 400552195 /nfs/dbraw/zinc/55/21/95/400552195.db2.gz YUVHAYDCFMAAGB-QGZVFWFLSA-N 2 1 321.465 3.027 20 0 DGADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000131603562 400552198 /nfs/dbraw/zinc/55/21/98/400552198.db2.gz YUVHAYDCFMAAGB-QGZVFWFLSA-N 2 1 321.465 3.027 20 0 DGADMP c1cn([C@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)cn1 ZINC000591869343 400567748 /nfs/dbraw/zinc/56/77/48/400567748.db2.gz QOYPNOFZLFUBDI-IBGZPJMESA-N 2 1 313.445 3.169 20 0 DGADMP c1csc(-c2cc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)no2)c1 ZINC000591867663 400568022 /nfs/dbraw/zinc/56/80/22/400568022.db2.gz QRGMXVRAPSWSOU-AWEZNQCLSA-N 2 1 314.414 3.437 20 0 DGADMP c1csc(-c2cc(C[N@H+]3CCC[C@H](n4ccnc4)C3)no2)c1 ZINC000591867663 400568028 /nfs/dbraw/zinc/56/80/28/400568028.db2.gz QRGMXVRAPSWSOU-AWEZNQCLSA-N 2 1 314.414 3.437 20 0 DGADMP COC(=O)c1oc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1C ZINC000603111633 400643803 /nfs/dbraw/zinc/64/38/03/400643803.db2.gz SSCOMRDOGXBTGZ-UHFFFAOYSA-N 2 1 322.449 3.073 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000161565759 400741186 /nfs/dbraw/zinc/74/11/86/400741186.db2.gz XKQNAXVQIPNLFS-UHFFFAOYSA-N 2 1 323.484 3.229 20 0 DGADMP CC(C)[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000164565878 400750498 /nfs/dbraw/zinc/75/04/98/400750498.db2.gz KJAHERGEJBFQBK-INIZCTEOSA-N 2 1 317.477 3.388 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC34CCC4)CCCC2)CC1 ZINC000337504708 292169906 /nfs/dbraw/zinc/16/99/06/292169906.db2.gz DRPUTMDFEGFOIQ-KRWDZBQOSA-N 2 1 306.494 3.332 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000629517960 400954587 /nfs/dbraw/zinc/95/45/87/400954587.db2.gz BTWHJLJSNWXABU-UAGQMJEPSA-N 2 1 301.478 3.327 20 0 DGADMP CCOCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629500028 400944930 /nfs/dbraw/zinc/94/49/30/400944930.db2.gz MDQYWVYCOPZCLQ-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP COC[C@H](C)[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629506866 400949288 /nfs/dbraw/zinc/94/92/88/400949288.db2.gz HKOHBJKMNJSZFA-HNAYVOBHSA-N 2 1 302.462 3.010 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3Cc4ccccc4CO3)CC[NH2+]2)cc1 ZINC000629514906 400952388 /nfs/dbraw/zinc/95/23/88/400952388.db2.gz VQTCWTAABFWTNA-ACRUOGEOSA-N 2 1 322.452 3.211 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468946 400917870 /nfs/dbraw/zinc/91/78/70/400917870.db2.gz PFOBGZYLGYRHTB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000606468946 400917878 /nfs/dbraw/zinc/91/78/78/400917878.db2.gz PFOBGZYLGYRHTB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606468946 400917882 /nfs/dbraw/zinc/91/78/82/400917882.db2.gz PFOBGZYLGYRHTB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000606468946 400917888 /nfs/dbraw/zinc/91/78/88/400917888.db2.gz PFOBGZYLGYRHTB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000196206078 400927115 /nfs/dbraw/zinc/92/71/15/400927115.db2.gz KAYPJIXHXQHAOM-UHFFFAOYSA-N 2 1 318.852 3.057 20 0 DGADMP COC(=O)CC1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000599024006 400930529 /nfs/dbraw/zinc/93/05/29/400930529.db2.gz FJOAUUIJEUTPQL-AOCRQIFASA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CC1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000599025820 400930868 /nfs/dbraw/zinc/93/08/68/400930868.db2.gz RDYDVVMRDSTBCK-OQSMONGASA-N 2 1 324.509 3.066 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000629589451 400984986 /nfs/dbraw/zinc/98/49/86/400984986.db2.gz WSVJHRIEJLAWGE-HOCLYGCPSA-N 2 1 306.425 3.013 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629653320 401020772 /nfs/dbraw/zinc/02/07/72/401020772.db2.gz DWXURQFCICVYJH-TZMCWYRMSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629653320 401020776 /nfs/dbraw/zinc/02/07/76/401020776.db2.gz DWXURQFCICVYJH-TZMCWYRMSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000629532993 400963899 /nfs/dbraw/zinc/96/38/99/400963899.db2.gz CDSJGWYCBLCGGO-ZWKOTPCHSA-N 2 1 309.457 3.365 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559118 400975536 /nfs/dbraw/zinc/97/55/36/400975536.db2.gz AGSYZRDRHVTWPK-GXTWGEPZSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559118 400975539 /nfs/dbraw/zinc/97/55/39/400975539.db2.gz AGSYZRDRHVTWPK-GXTWGEPZSA-N 2 1 304.331 3.093 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@@H]1C(F)(F)F ZINC000629562638 400977122 /nfs/dbraw/zinc/97/71/22/400977122.db2.gz ONCRCPSIXDENBM-UGFHNGPFSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC[C@@H]1C(F)(F)F ZINC000629562638 400977126 /nfs/dbraw/zinc/97/71/26/400977126.db2.gz ONCRCPSIXDENBM-UGFHNGPFSA-N 2 1 316.342 3.272 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563933 400977150 /nfs/dbraw/zinc/97/71/50/400977150.db2.gz SFNMGXRYCARXHM-QPSCCSFWSA-N 2 1 322.415 3.041 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563933 400977154 /nfs/dbraw/zinc/97/71/54/400977154.db2.gz SFNMGXRYCARXHM-QPSCCSFWSA-N 2 1 322.415 3.041 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563927 400977510 /nfs/dbraw/zinc/97/75/10/400977510.db2.gz SFNMGXRYCARXHM-BARDWOONSA-N 2 1 322.415 3.041 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563927 400977517 /nfs/dbraw/zinc/97/75/17/400977517.db2.gz SFNMGXRYCARXHM-BARDWOONSA-N 2 1 322.415 3.041 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565795 400980159 /nfs/dbraw/zinc/98/01/59/400980159.db2.gz XFYTWJNAHBGKJL-ZFWWWQNUSA-N 2 1 300.368 3.263 20 0 DGADMP Cc1cc2c(c(-c3ccc(C[NH+]4CCOCC4)cc3)c1)CC[NH2+]C2 ZINC000629732235 401062425 /nfs/dbraw/zinc/06/24/25/401062425.db2.gz AQQGOTBVOQAFIF-UHFFFAOYSA-N 2 1 322.452 3.140 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586912 401085374 /nfs/dbraw/zinc/08/53/74/401085374.db2.gz BHZNGTVGCUIDME-DLBZAZTESA-N 2 1 324.509 3.162 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586912 401085378 /nfs/dbraw/zinc/08/53/78/401085378.db2.gz BHZNGTVGCUIDME-DLBZAZTESA-N 2 1 324.509 3.162 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629657369 401022021 /nfs/dbraw/zinc/02/20/21/401022021.db2.gz WZFLKLHBNQHAGZ-RISCZKNCSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629657369 401022024 /nfs/dbraw/zinc/02/20/24/401022024.db2.gz WZFLKLHBNQHAGZ-RISCZKNCSA-N 2 1 312.335 3.392 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657563 401022886 /nfs/dbraw/zinc/02/28/86/401022886.db2.gz ZTPACGBTNMAHKA-ZWNOBZJWSA-N 2 1 306.397 3.270 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657563 401022891 /nfs/dbraw/zinc/02/28/91/401022891.db2.gz ZTPACGBTNMAHKA-ZWNOBZJWSA-N 2 1 306.397 3.270 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCc2ccc(OC)cc2)C[C@H]1C ZINC000607155522 401025219 /nfs/dbraw/zinc/02/52/19/401025219.db2.gz ICEHQKCMIAKIDS-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCc2ccc(OC)cc2)C[C@H]1C ZINC000607155522 401025223 /nfs/dbraw/zinc/02/52/23/401025223.db2.gz ICEHQKCMIAKIDS-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCc2ccc(OC)cc2)C[C@H]1C ZINC000607155522 401025226 /nfs/dbraw/zinc/02/52/26/401025226.db2.gz ICEHQKCMIAKIDS-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC(=O)c1cccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC000629692077 401038914 /nfs/dbraw/zinc/03/89/14/401038914.db2.gz HFKLQPXNESNIJV-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422916686 286014834 /nfs/dbraw/zinc/01/48/34/286014834.db2.gz BJFWQARIJBDTJF-FGTMMUONSA-N 2 1 300.377 3.248 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260310 286013719 /nfs/dbraw/zinc/01/37/19/286013719.db2.gz XRBVGDFZAWPLRJ-IAGOWNOFSA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260310 286013720 /nfs/dbraw/zinc/01/37/20/286013720.db2.gz XRBVGDFZAWPLRJ-IAGOWNOFSA-N 2 1 310.869 3.083 20 0 DGADMP FCC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000626005807 401277653 /nfs/dbraw/zinc/27/76/53/401277653.db2.gz KVLFPMOURNCPIA-LJQANCHMSA-N 2 1 320.452 3.233 20 0 DGADMP FCC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000626005807 401277656 /nfs/dbraw/zinc/27/76/56/401277656.db2.gz KVLFPMOURNCPIA-LJQANCHMSA-N 2 1 320.452 3.233 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1F ZINC000626123839 401306109 /nfs/dbraw/zinc/30/61/09/401306109.db2.gz AYXSVNMNQLCBQL-DLBZAZTESA-N 2 1 320.452 3.498 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)CC2)C1 ZINC000634732314 401340319 /nfs/dbraw/zinc/34/03/19/401340319.db2.gz COUFDBHWEGRJFZ-NZSAHSFTSA-N 3 1 321.553 3.397 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732675 401341323 /nfs/dbraw/zinc/34/13/23/401341323.db2.gz LVJPSCPOBLAMMT-MRXNPFEDSA-N 2 1 313.445 3.111 20 0 DGADMP CC[N@@H+](CCC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063364 401292706 /nfs/dbraw/zinc/29/27/06/401292706.db2.gz AXZWBTHCUYROCG-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2nccnc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000634975120 401392721 /nfs/dbraw/zinc/39/27/21/401392721.db2.gz RLDBAUOICDXDIP-NVXWUHKLSA-N 2 1 324.472 3.372 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634972054 401392885 /nfs/dbraw/zinc/39/28/85/401392885.db2.gz NDBRYZKRLSKYEY-KRWDZBQOSA-N 2 1 312.461 3.087 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991971 401397518 /nfs/dbraw/zinc/39/75/18/401397518.db2.gz YGPNSJJNWLWEGC-GOSISDBHSA-N 2 1 312.461 3.136 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991971 401397520 /nfs/dbraw/zinc/39/75/20/401397520.db2.gz YGPNSJJNWLWEGC-GOSISDBHSA-N 2 1 312.461 3.136 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000634996293 401397778 /nfs/dbraw/zinc/39/77/78/401397778.db2.gz FWROXSWFUVCLOJ-HLLBOEOZSA-N 2 1 324.472 3.136 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000631185698 401418925 /nfs/dbraw/zinc/41/89/25/401418925.db2.gz ABGPRKOCHXTISF-TVFCKZIOSA-N 2 1 320.864 3.386 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631193904 401421979 /nfs/dbraw/zinc/42/19/79/401421979.db2.gz HCZDENNRXRHHIQ-VROUVPMXSA-N 2 1 316.489 3.300 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631196776 401423730 /nfs/dbraw/zinc/42/37/30/401423730.db2.gz VEHUJVFMZGZYPR-BTHPGYMESA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196432 401423781 /nfs/dbraw/zinc/42/37/81/401423781.db2.gz RPMBALQUTAYOAF-YQVWRLOYSA-N 2 1 304.478 3.158 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196777 401423840 /nfs/dbraw/zinc/42/38/40/401423840.db2.gz VEHUJVFMZGZYPR-FRYIKTPZSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635739879 401479078 /nfs/dbraw/zinc/47/90/78/401479078.db2.gz GNTYVXFHIDUGNX-GOSISDBHSA-N 2 1 315.461 3.012 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086512 401463061 /nfs/dbraw/zinc/46/30/61/401463061.db2.gz WKPAPYTTWZMWKU-UHFFFAOYSA-N 2 1 321.424 3.428 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCc1c[nH+]cn1C ZINC000623086120 401463220 /nfs/dbraw/zinc/46/32/20/401463220.db2.gz YCBFMHPMBJSXRH-LCYFTJDESA-N 2 1 321.371 3.257 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000623085831 401463231 /nfs/dbraw/zinc/46/32/31/401463231.db2.gz HYAAAIYDPBBPCM-UHFFFAOYSA-N 2 1 319.836 3.195 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623358262 401499648 /nfs/dbraw/zinc/49/96/48/401499648.db2.gz WDKDXAXQCSHXBJ-OAHLLOKOSA-N 2 1 300.450 3.165 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631567368 401500081 /nfs/dbraw/zinc/50/00/81/401500081.db2.gz YSRDKQBLPQJSAE-PBHICJAKSA-N 2 1 318.461 3.229 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631579063 401503890 /nfs/dbraw/zinc/50/38/90/401503890.db2.gz BUJVECSCAKSUSV-GDBMZVCRSA-N 2 1 306.450 3.086 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631579064 401504098 /nfs/dbraw/zinc/50/40/98/401504098.db2.gz BUJVECSCAKSUSV-GOEBONIOSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(C2CCC2)cc1 ZINC000631610198 401513587 /nfs/dbraw/zinc/51/35/87/401513587.db2.gz SUVNBBFMMHTVGA-OAHLLOKOSA-N 2 1 302.462 3.061 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654619 401562162 /nfs/dbraw/zinc/56/21/62/401562162.db2.gz DPQIKJFQOUISLC-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000623655900 401562209 /nfs/dbraw/zinc/56/22/09/401562209.db2.gz IEZQHLNTMXLFBD-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000623657510 401562995 /nfs/dbraw/zinc/56/29/95/401562995.db2.gz SITMDGANQBIUCE-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000623657510 401562998 /nfs/dbraw/zinc/56/29/98/401562998.db2.gz SITMDGANQBIUCE-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000623656565 401563270 /nfs/dbraw/zinc/56/32/70/401563270.db2.gz XLYBBXSLQKNKQM-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000623656565 401563271 /nfs/dbraw/zinc/56/32/71/401563271.db2.gz XLYBBXSLQKNKQM-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000623656624 401563721 /nfs/dbraw/zinc/56/37/21/401563721.db2.gz YNAQVPKRZIRZCZ-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623656624 401563724 /nfs/dbraw/zinc/56/37/24/401563724.db2.gz YNAQVPKRZIRZCZ-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656624 401563727 /nfs/dbraw/zinc/56/37/27/401563727.db2.gz YNAQVPKRZIRZCZ-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623656624 401563729 /nfs/dbraw/zinc/56/37/29/401563729.db2.gz YNAQVPKRZIRZCZ-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656624 401563732 /nfs/dbraw/zinc/56/37/32/401563732.db2.gz YNAQVPKRZIRZCZ-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(C)ccc1C ZINC000623871364 401591692 /nfs/dbraw/zinc/59/16/92/401591692.db2.gz CAKBJYCTVHTMNE-LJQANCHMSA-N 2 1 304.478 3.191 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1F ZINC000628425872 401595763 /nfs/dbraw/zinc/59/57/63/401595763.db2.gz YHUXKXYVJRVIIR-RDJZCZTQSA-N 2 1 322.468 3.334 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000631828924 401559394 /nfs/dbraw/zinc/55/93/94/401559394.db2.gz BZRMDBVGTADYRV-SFHVURJKSA-N 2 1 301.478 3.218 20 0 DGADMP COc1ccc([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120065 401628170 /nfs/dbraw/zinc/62/81/70/401628170.db2.gz QQXKLNFCNOWZIV-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624120065 401628172 /nfs/dbraw/zinc/62/81/72/401628172.db2.gz QQXKLNFCNOWZIV-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624120065 401628175 /nfs/dbraw/zinc/62/81/75/401628175.db2.gz QQXKLNFCNOWZIV-GJZGRUSLSA-N 2 1 306.450 3.086 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121135 401628216 /nfs/dbraw/zinc/62/82/16/401628216.db2.gz OSXBNYKQVPWLAA-IEBWSBKVSA-N 2 1 322.468 3.095 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124105 401629759 /nfs/dbraw/zinc/62/97/59/401629759.db2.gz XIJOVXWUPFXOOP-RDJZCZTQSA-N 2 1 304.482 3.353 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124105 401629761 /nfs/dbraw/zinc/62/97/61/401629761.db2.gz XIJOVXWUPFXOOP-RDJZCZTQSA-N 2 1 304.482 3.353 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000623971027 401607163 /nfs/dbraw/zinc/60/71/63/401607163.db2.gz IBGQZRGSZHRCBR-AZUAARDMSA-N 2 1 318.505 3.488 20 0 DGADMP CC[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000623971027 401607165 /nfs/dbraw/zinc/60/71/65/401607165.db2.gz IBGQZRGSZHRCBR-AZUAARDMSA-N 2 1 318.505 3.488 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503739 286079481 /nfs/dbraw/zinc/07/94/81/286079481.db2.gz FJLULPWQQJRFLD-UHFFFAOYSA-N 2 1 323.440 3.449 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc[nH+]1 ZINC000624697882 401683575 /nfs/dbraw/zinc/68/35/75/401683575.db2.gz NSVLQZUCBFBBBT-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC000424307326 286113796 /nfs/dbraw/zinc/11/37/96/286113796.db2.gz XJYYSPTXZMPDEK-ZRSRNVLSSA-N 2 1 308.510 3.290 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC000424307326 286113797 /nfs/dbraw/zinc/11/37/97/286113797.db2.gz XJYYSPTXZMPDEK-ZRSRNVLSSA-N 2 1 308.510 3.290 20 0 DGADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358817400 286160894 /nfs/dbraw/zinc/16/08/94/286160894.db2.gz BZCJASZVHMEZDD-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP c1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000359228605 286265137 /nfs/dbraw/zinc/26/51/37/286265137.db2.gz YAVKWASVVPGTSZ-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000359559669 286336032 /nfs/dbraw/zinc/33/60/32/286336032.db2.gz QJMAREOWUGKDRU-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000359640411 286352232 /nfs/dbraw/zinc/35/22/32/286352232.db2.gz LVWHRFKNZONCGC-INIZCTEOSA-N 2 1 317.477 3.194 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000359640411 286352233 /nfs/dbraw/zinc/35/22/33/286352233.db2.gz LVWHRFKNZONCGC-INIZCTEOSA-N 2 1 317.477 3.194 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000420295955 286372186 /nfs/dbraw/zinc/37/21/86/286372186.db2.gz BGAWSQJEJNRGQQ-XLIONFOSSA-N 2 1 310.441 3.357 20 0 DGADMP Cc1cc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1Cl ZINC000361137547 286606799 /nfs/dbraw/zinc/60/67/99/286606799.db2.gz ZJJMELBMERBCHQ-UHFFFAOYSA-N 2 1 303.837 3.442 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000363450220 286926735 /nfs/dbraw/zinc/92/67/35/286926735.db2.gz PKCFUWXJDAVBKO-UHFFFAOYSA-N 2 1 313.445 3.263 20 0 DGADMP c1ccc2c(c1)COC21CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000364593599 287042270 /nfs/dbraw/zinc/04/22/70/287042270.db2.gz XEPLMJARLXWBHF-UHFFFAOYSA-N 2 1 314.473 3.384 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422914050 287052989 /nfs/dbraw/zinc/05/29/89/287052989.db2.gz ZYNSSJUTEADBCD-FCGDIQPGSA-N 2 1 321.553 3.397 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000364827961 287065163 /nfs/dbraw/zinc/06/51/63/287065163.db2.gz CGGJSJHMYHXNRG-KURKYZTESA-N 2 1 318.509 3.300 20 0 DGADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423117082 287069521 /nfs/dbraw/zinc/06/95/21/287069521.db2.gz SWBXCQUCTSZCKZ-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189045083 165146187 /nfs/dbraw/zinc/14/61/87/165146187.db2.gz WIWFGPHHUHHUOY-IBGZPJMESA-N 2 1 314.473 3.331 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1nccn1-c1ccccc1 ZINC000190697595 165213689 /nfs/dbraw/zinc/21/36/89/165213689.db2.gz LVMCEZRDYYLBTN-QGZVFWFLSA-N 2 1 312.461 3.226 20 0 DGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000191384427 165246048 /nfs/dbraw/zinc/24/60/48/165246048.db2.gz GSIHQAXOYDZGER-UHFFFAOYSA-N 2 1 317.521 3.315 20 0 DGADMP COc1ccc(Cl)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000192122510 165283653 /nfs/dbraw/zinc/28/36/53/165283653.db2.gz RXYHQWQAPFWWDJ-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1ccc(Cl)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000192122510 165283656 /nfs/dbraw/zinc/28/36/56/165283656.db2.gz RXYHQWQAPFWWDJ-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000192574198 165296513 /nfs/dbraw/zinc/29/65/13/165296513.db2.gz DJYIVTMBLHJZBH-GJYPPUQNSA-N 2 1 302.462 3.227 20 0 DGADMP COC[C@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000365250654 287114026 /nfs/dbraw/zinc/11/40/26/287114026.db2.gz ALJXYAJWSGECES-KRWDZBQOSA-N 2 1 313.445 3.429 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219580729 165379830 /nfs/dbraw/zinc/37/98/30/165379830.db2.gz MJMVLEJIRFBGDM-UHFFFAOYSA-N 2 1 304.356 3.405 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219580729 165379832 /nfs/dbraw/zinc/37/98/32/165379832.db2.gz MJMVLEJIRFBGDM-UHFFFAOYSA-N 2 1 304.356 3.405 20 0 DGADMP C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000414639857 287160094 /nfs/dbraw/zinc/16/00/94/287160094.db2.gz FUSNWSAXISUIDI-XQQFMLRXSA-N 2 1 300.406 3.129 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc3c(c1)CC(C)(C)O3)CC[NH2+]CC2 ZINC000424376280 287237426 /nfs/dbraw/zinc/23/74/26/287237426.db2.gz KVLIYOAILBZKAO-OAHLLOKOSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000246844671 432171790 /nfs/dbraw/zinc/17/17/90/432171790.db2.gz CHUQCWGMSPZSEZ-NXWXRZEISA-N 2 1 302.462 3.227 20 0 DGADMP CC1(C)CCC[NH+](CC2(C[N@@H+]3CCCC(C)(C)C3)COC2)C1 ZINC000182169332 432163102 /nfs/dbraw/zinc/16/31/02/432163102.db2.gz AAIRUZRSSNSWFP-UHFFFAOYSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000246837697 432170943 /nfs/dbraw/zinc/17/09/43/432170943.db2.gz AUBNKKAHAHLGQK-OWCLPIDISA-N 2 1 308.441 3.366 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000246902385 432179943 /nfs/dbraw/zinc/17/99/43/432179943.db2.gz HRTABBFLYLFFPJ-KXBFYZLASA-N 2 1 312.461 3.001 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000246902385 432179946 /nfs/dbraw/zinc/17/99/46/432179946.db2.gz HRTABBFLYLFFPJ-KXBFYZLASA-N 2 1 312.461 3.001 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011330 432190008 /nfs/dbraw/zinc/19/00/08/432190008.db2.gz LFVJJQUZXXIEOH-FXAWDEMLSA-N 3 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011330 432190010 /nfs/dbraw/zinc/19/00/10/432190010.db2.gz LFVJJQUZXXIEOH-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011330 432190015 /nfs/dbraw/zinc/19/00/15/432190015.db2.gz LFVJJQUZXXIEOH-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000247011330 432190017 /nfs/dbraw/zinc/19/00/17/432190017.db2.gz LFVJJQUZXXIEOH-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000247004191 432190389 /nfs/dbraw/zinc/19/03/89/432190389.db2.gz LVBKPURIHKLQEJ-CVEARBPZSA-N 2 1 318.461 3.229 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1C ZINC000247003966 432190814 /nfs/dbraw/zinc/19/08/14/432190814.db2.gz KVMIXUSOLMHQQP-RCCFBDPRSA-N 2 1 303.494 3.140 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182508502 432198414 /nfs/dbraw/zinc/19/84/14/432198414.db2.gz SJRLRJBMRHFZKV-GOSISDBHSA-N 2 1 316.489 3.436 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOCc3ccccc3)CC[C@@H]21 ZINC000182471729 432194392 /nfs/dbraw/zinc/19/43/92/432194392.db2.gz NQEGDKJEBWYYJG-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOCc3ccccc3)CC[C@@H]21 ZINC000182471729 432194395 /nfs/dbraw/zinc/19/43/95/432194395.db2.gz NQEGDKJEBWYYJG-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOCc3ccccc3)CC[C@@H]21 ZINC000182471729 432194397 /nfs/dbraw/zinc/19/43/97/432194397.db2.gz NQEGDKJEBWYYJG-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150834326 432194597 /nfs/dbraw/zinc/19/45/97/432194597.db2.gz ROKIRHBCHUVNCF-OAHLLOKOSA-N 2 1 313.420 3.292 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150834326 432194599 /nfs/dbraw/zinc/19/45/99/432194599.db2.gz ROKIRHBCHUVNCF-OAHLLOKOSA-N 2 1 313.420 3.292 20 0 DGADMP Fc1ccccc1SCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150823973 432194668 /nfs/dbraw/zinc/19/46/68/432194668.db2.gz XJFADCBWCUHMNI-HNNXBMFYSA-N 2 1 308.466 3.336 20 0 DGADMP Fc1ccccc1SCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150823973 432194673 /nfs/dbraw/zinc/19/46/73/432194673.db2.gz XJFADCBWCUHMNI-HNNXBMFYSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000247042306 432195183 /nfs/dbraw/zinc/19/51/83/432195183.db2.gz WHDXHHBRCDTUPU-KZNAEPCWSA-N 2 1 308.510 3.434 20 0 DGADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000130998157 196130871 /nfs/dbraw/zinc/13/08/71/196130871.db2.gz IUJWFWWPWFACCH-UHFFFAOYSA-N 2 1 315.461 3.095 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000131251435 196154394 /nfs/dbraw/zinc/15/43/94/196154394.db2.gz YDDHNJAGUCKLJC-KMUNFCNLSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000131251435 196154396 /nfs/dbraw/zinc/15/43/96/196154396.db2.gz YDDHNJAGUCKLJC-KMUNFCNLSA-N 2 1 317.260 3.099 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1F ZINC000247175021 432209193 /nfs/dbraw/zinc/20/91/93/432209193.db2.gz SSEBCCJGELLYDY-BFYDXBDKSA-N 2 1 308.441 3.303 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247186459 432209596 /nfs/dbraw/zinc/20/95/96/432209596.db2.gz VNCSFVOXSKTROP-MBOZVWFJSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247186459 432209600 /nfs/dbraw/zinc/20/96/00/432209600.db2.gz VNCSFVOXSKTROP-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247186459 432209604 /nfs/dbraw/zinc/20/96/04/432209604.db2.gz VNCSFVOXSKTROP-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000247186459 432209607 /nfs/dbraw/zinc/20/96/07/432209607.db2.gz VNCSFVOXSKTROP-MBOZVWFJSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000247211041 432211127 /nfs/dbraw/zinc/21/11/27/432211127.db2.gz WYQBRAZIBZDIOC-MKXGPGLRSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000247211041 432211130 /nfs/dbraw/zinc/21/11/30/432211130.db2.gz WYQBRAZIBZDIOC-MKXGPGLRSA-N 2 1 309.542 3.064 20 0 DGADMP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000172432030 432213831 /nfs/dbraw/zinc/21/38/31/432213831.db2.gz NGZDBEOPKYAQEX-QGZVFWFLSA-N 2 1 321.534 3.438 20 0 DGADMP Cc1ccc2nc(CN3CCC[N@H+](C4CCCC4)CC3)cn2c1 ZINC000172435111 432214811 /nfs/dbraw/zinc/21/48/11/432214811.db2.gz RQJRAEHTMTYUBS-UHFFFAOYSA-N 2 1 312.461 3.093 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247123810 432204399 /nfs/dbraw/zinc/20/43/99/432204399.db2.gz RGWYCEGILIFXGL-ICSRJNTNSA-N 2 1 318.505 3.346 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000247134343 432204818 /nfs/dbraw/zinc/20/48/18/432204818.db2.gz RWDOUODMCWVOCP-HKUYNNGSSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247352629 432225402 /nfs/dbraw/zinc/22/54/02/432225402.db2.gz PIOVZLHVZPTWSY-QRVBRYPASA-N 2 1 318.505 3.487 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131439624 196168338 /nfs/dbraw/zinc/16/83/38/196168338.db2.gz MAWFRAJDKPTPEC-SLFFLAALSA-N 2 1 316.489 3.149 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000151099097 432220042 /nfs/dbraw/zinc/22/00/42/432220042.db2.gz CUCSAMMPHQVXPN-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000151099097 432220045 /nfs/dbraw/zinc/22/00/45/432220045.db2.gz CUCSAMMPHQVXPN-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000151126787 432221177 /nfs/dbraw/zinc/22/11/77/432221177.db2.gz UJNNNULSIZPFAG-JKSUJKDBSA-N 2 1 320.477 3.224 20 0 DGADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172578147 432222397 /nfs/dbraw/zinc/22/23/97/432222397.db2.gz BFWAJFUUOHSWLC-KRWDZBQOSA-N 2 1 310.482 3.060 20 0 DGADMP c1ccc2sc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000269922970 432222404 /nfs/dbraw/zinc/22/24/04/432222404.db2.gz AXPPZFFRLHLHNS-KBPBESRZSA-N 2 1 301.459 3.055 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131780492 196198824 /nfs/dbraw/zinc/19/88/24/196198824.db2.gz KUSCDHGYMBAEEJ-CCNLRDMRSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000131780492 196198826 /nfs/dbraw/zinc/19/88/26/196198826.db2.gz KUSCDHGYMBAEEJ-CCNLRDMRSA-N 2 1 302.462 3.231 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(Br)c1 ZINC000133297442 196328442 /nfs/dbraw/zinc/32/84/42/196328442.db2.gz ZWEKUJSLPRGJDF-LLVKDONJSA-N 2 1 305.285 3.316 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(Br)c1 ZINC000133297442 196328443 /nfs/dbraw/zinc/32/84/43/196328443.db2.gz ZWEKUJSLPRGJDF-LLVKDONJSA-N 2 1 305.285 3.316 20 0 DGADMP CC[N@H+]1CC[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000134079336 196359027 /nfs/dbraw/zinc/35/90/27/196359027.db2.gz TUVYBDHZJMMLBY-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415125127 287276943 /nfs/dbraw/zinc/27/69/43/287276943.db2.gz RVSUGRHHMMTKBL-QZTJIDSGSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000415125127 287276945 /nfs/dbraw/zinc/27/69/45/287276945.db2.gz RVSUGRHHMMTKBL-QZTJIDSGSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000415125127 287276947 /nfs/dbraw/zinc/27/69/47/287276947.db2.gz RVSUGRHHMMTKBL-QZTJIDSGSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791869 287311290 /nfs/dbraw/zinc/31/12/90/287311290.db2.gz SAPIGNDGSVIXHT-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885785 287355366 /nfs/dbraw/zinc/35/53/66/287355366.db2.gz VJDHCYUBBYXENI-MBOZVWFJSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(Cl)cc2c1OCC2)C[NH+]1CCCC1 ZINC000136390782 227050452 /nfs/dbraw/zinc/05/04/52/227050452.db2.gz FFZPAAOHKIJGLH-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(Cl)cc2c1OCC2)C[NH+]1CCCC1 ZINC000136390750 227051124 /nfs/dbraw/zinc/05/11/24/227051124.db2.gz FFZPAAOHKIJGLH-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP COCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000291104562 222141210 /nfs/dbraw/zinc/14/12/10/222141210.db2.gz JRHGSFFGCJJHJW-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP COCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000291104562 222141214 /nfs/dbraw/zinc/14/12/14/222141214.db2.gz JRHGSFFGCJJHJW-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559207 227301369 /nfs/dbraw/zinc/30/13/69/227301369.db2.gz FZRCTLMDQSKYOZ-UONOGXRCSA-N 2 1 304.463 3.034 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559207 227301372 /nfs/dbraw/zinc/30/13/72/227301372.db2.gz FZRCTLMDQSKYOZ-UONOGXRCSA-N 2 1 304.463 3.034 20 0 DGADMP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299399188 229097284 /nfs/dbraw/zinc/09/72/84/229097284.db2.gz ZLKBCZKCILVUMI-UHFFFAOYSA-N 2 1 310.388 3.395 20 0 DGADMP COc1ccc(OCCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000299525511 229180843 /nfs/dbraw/zinc/18/08/43/229180843.db2.gz FMOXEMAYJUUYPR-UHFFFAOYSA-N 2 1 320.477 3.269 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000186122857 263649856 /nfs/dbraw/zinc/64/98/56/263649856.db2.gz ABBMVLBBQHONQF-IBGZPJMESA-N 2 1 316.489 3.117 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188658211 263699189 /nfs/dbraw/zinc/69/91/89/263699189.db2.gz LVXCQQAUQQBRFV-UHFFFAOYSA-N 2 1 312.379 3.421 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000346348759 264016139 /nfs/dbraw/zinc/01/61/39/264016139.db2.gz YNCDBPYZCSMQGF-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@H](C[NH+]1CCS[C@H](C)[C@H]1C)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000346524762 264046771 /nfs/dbraw/zinc/04/67/71/264046771.db2.gz GKISPKNZSUATEO-IBEHDNSVSA-N 2 1 316.580 3.274 20 0 DGADMP C[C@@H](C[NH+]1CCS[C@H](C)[C@@H]1C)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000346524762 264046772 /nfs/dbraw/zinc/04/67/72/264046772.db2.gz GKISPKNZSUATEO-IBEHDNSVSA-N 2 1 316.580 3.274 20 0 DGADMP C[C@@H](C[NH+]1CCS[C@H](C)[C@@H]1C)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000346524762 264046773 /nfs/dbraw/zinc/04/67/73/264046773.db2.gz GKISPKNZSUATEO-IBEHDNSVSA-N 2 1 316.580 3.274 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCCO1 ZINC000346550183 264051799 /nfs/dbraw/zinc/05/17/99/264051799.db2.gz DLRPWBYBRWSEME-MPTYRVRUSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCCO1 ZINC000346550183 264051800 /nfs/dbraw/zinc/05/18/00/264051800.db2.gz DLRPWBYBRWSEME-MPTYRVRUSA-N 2 1 308.491 3.288 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCCC(C)C ZINC000346630733 264068668 /nfs/dbraw/zinc/06/86/68/264068668.db2.gz CHWMUMGIHKKCTO-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692888 264080557 /nfs/dbraw/zinc/08/05/57/264080557.db2.gz JOSBUHCARTYFMV-KBPBESRZSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692888 264080560 /nfs/dbraw/zinc/08/05/60/264080560.db2.gz JOSBUHCARTYFMV-KBPBESRZSA-N 2 1 307.869 3.109 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346843017 264107219 /nfs/dbraw/zinc/10/72/19/264107219.db2.gz JFWZJAFWIHMIQL-BPUTZDHNSA-N 2 1 323.278 3.317 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000346844176 264107422 /nfs/dbraw/zinc/10/74/22/264107422.db2.gz LDEPOPBMYFPZKR-DZGCQCFKSA-N 2 1 301.459 3.433 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000346844176 264107424 /nfs/dbraw/zinc/10/74/24/264107424.db2.gz LDEPOPBMYFPZKR-DZGCQCFKSA-N 2 1 301.459 3.433 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346851210 264108925 /nfs/dbraw/zinc/10/89/25/264108925.db2.gz QVKIONDIQXNFFX-QAPCUYQASA-N 2 1 312.461 3.193 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346851210 264108926 /nfs/dbraw/zinc/10/89/26/264108926.db2.gz QVKIONDIQXNFFX-QAPCUYQASA-N 2 1 312.461 3.193 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccc3)C[C@H]12 ZINC000346854920 264109181 /nfs/dbraw/zinc/10/91/81/264109181.db2.gz ZCCJTVVHSLBXAH-YSIASYRMSA-N 2 1 322.452 3.435 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000346985460 264133539 /nfs/dbraw/zinc/13/35/39/264133539.db2.gz OTAIFNHFPNBGIZ-HUUCEWRRSA-N 2 1 319.518 3.201 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347035218 264145297 /nfs/dbraw/zinc/14/52/97/264145297.db2.gz GELLKMVILABLMW-STQMWFEESA-N 2 1 316.367 3.187 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347035217 264145504 /nfs/dbraw/zinc/14/55/04/264145504.db2.gz GELLKMVILABLMW-QWHCGFSZSA-N 2 1 316.367 3.187 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347040344 264146430 /nfs/dbraw/zinc/14/64/30/264146430.db2.gz HXFHICPTLCPTLN-QGZVFWFLSA-N 2 1 320.477 3.291 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347040344 264146432 /nfs/dbraw/zinc/14/64/32/264146432.db2.gz HXFHICPTLCPTLN-QGZVFWFLSA-N 2 1 320.477 3.291 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000347049679 264147966 /nfs/dbraw/zinc/14/79/66/264147966.db2.gz IFSWDVVIDJUJOW-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000347049679 264147968 /nfs/dbraw/zinc/14/79/68/264147968.db2.gz IFSWDVVIDJUJOW-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000347049679 264147970 /nfs/dbraw/zinc/14/79/70/264147970.db2.gz IFSWDVVIDJUJOW-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347055845 264149252 /nfs/dbraw/zinc/14/92/52/264149252.db2.gz UIIWEQYNIXLTHB-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347055845 264149255 /nfs/dbraw/zinc/14/92/55/264149255.db2.gz UIIWEQYNIXLTHB-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347067446 264150930 /nfs/dbraw/zinc/15/09/30/264150930.db2.gz MQYQXFWPORIRKB-MRXNPFEDSA-N 2 1 314.404 3.185 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347066411 264151203 /nfs/dbraw/zinc/15/12/03/264151203.db2.gz ZVYWMTSVRGUFDK-ZWKOTPCHSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347066411 264151206 /nfs/dbraw/zinc/15/12/06/264151206.db2.gz ZVYWMTSVRGUFDK-ZWKOTPCHSA-N 2 1 324.896 3.050 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347066411 264151208 /nfs/dbraw/zinc/15/12/08/264151208.db2.gz ZVYWMTSVRGUFDK-ZWKOTPCHSA-N 2 1 324.896 3.050 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347081280 264153848 /nfs/dbraw/zinc/15/38/48/264153848.db2.gz XSGXEYCXDHZCHJ-JWTNVVGKSA-N 2 1 310.445 3.100 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347081280 264153850 /nfs/dbraw/zinc/15/38/50/264153850.db2.gz XSGXEYCXDHZCHJ-JWTNVVGKSA-N 2 1 310.445 3.100 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H](C)c1ccccc1)[C@H](C)CO ZINC000347378305 264210524 /nfs/dbraw/zinc/21/05/24/264210524.db2.gz FJLJAPGJBBCTRO-DLBZAZTESA-N 2 1 315.461 3.068 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H](C)c1ccccc1)[C@H](C)CO ZINC000347378305 264210525 /nfs/dbraw/zinc/21/05/25/264210525.db2.gz FJLJAPGJBBCTRO-DLBZAZTESA-N 2 1 315.461 3.068 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC(=O)CC2)C1 ZINC000347742840 264277270 /nfs/dbraw/zinc/27/72/70/264277270.db2.gz QLINHAUXQHXJFE-WMZOPIPTSA-N 2 1 306.494 3.332 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928970 264308088 /nfs/dbraw/zinc/30/80/88/264308088.db2.gz JOGDFIAUNLLDEO-DZGCQCFKSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928970 264308090 /nfs/dbraw/zinc/30/80/90/264308090.db2.gz JOGDFIAUNLLDEO-DZGCQCFKSA-N 2 1 305.466 3.288 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)cnn2C)CC1)CC1CC1 ZINC000347955668 264313292 /nfs/dbraw/zinc/31/32/92/264313292.db2.gz IKJKQPZUYBGXNX-UHFFFAOYSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@H](NCC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000347968413 264316843 /nfs/dbraw/zinc/31/68/43/264316843.db2.gz UOGLUQCDCQPJAI-OKZBNKHCSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968413 264316846 /nfs/dbraw/zinc/31/68/46/264316846.db2.gz UOGLUQCDCQPJAI-OKZBNKHCSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](NCC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968413 264316848 /nfs/dbraw/zinc/31/68/48/264316848.db2.gz UOGLUQCDCQPJAI-OKZBNKHCSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000347968413 264316850 /nfs/dbraw/zinc/31/68/50/264316850.db2.gz UOGLUQCDCQPJAI-OKZBNKHCSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000347968413 264316852 /nfs/dbraw/zinc/31/68/52/264316852.db2.gz UOGLUQCDCQPJAI-OKZBNKHCSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347968413 264316854 /nfs/dbraw/zinc/31/68/54/264316854.db2.gz UOGLUQCDCQPJAI-OKZBNKHCSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347968413 264316856 /nfs/dbraw/zinc/31/68/56/264316856.db2.gz UOGLUQCDCQPJAI-OKZBNKHCSA-N 3 1 307.526 3.103 20 0 DGADMP CCC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043030 264327831 /nfs/dbraw/zinc/32/78/31/264327831.db2.gz KRXYCALGYSRJIN-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043030 264327832 /nfs/dbraw/zinc/32/78/32/264327832.db2.gz KRXYCALGYSRJIN-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043030 264327834 /nfs/dbraw/zinc/32/78/34/264327834.db2.gz KRXYCALGYSRJIN-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043030 264327836 /nfs/dbraw/zinc/32/78/36/264327836.db2.gz KRXYCALGYSRJIN-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348088997 264337788 /nfs/dbraw/zinc/33/77/88/264337788.db2.gz TZLUDQCQDJQVTA-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+][C@@]1(C)CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348129754 264348562 /nfs/dbraw/zinc/34/85/62/264348562.db2.gz IGEVLALSNJIWEW-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348145924 264352232 /nfs/dbraw/zinc/35/22/32/264352232.db2.gz UDDPLWFNJRYHMR-YGWPLHOASA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415038 264404308 /nfs/dbraw/zinc/40/43/08/264404308.db2.gz XACNAWUGZHFPPS-VQIMIIECSA-N 2 1 312.461 3.066 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415038 264404311 /nfs/dbraw/zinc/40/43/11/264404311.db2.gz XACNAWUGZHFPPS-VQIMIIECSA-N 2 1 312.461 3.066 20 0 DGADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350178309 264592361 /nfs/dbraw/zinc/59/23/61/264592361.db2.gz XBPQDSGVDRCQDC-UHFFFAOYSA-N 2 1 320.868 3.000 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000350804529 264664223 /nfs/dbraw/zinc/66/42/23/264664223.db2.gz YPEKGLJOONPTQJ-QZTJIDSGSA-N 2 1 316.489 3.435 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000352502984 265071216 /nfs/dbraw/zinc/07/12/16/265071216.db2.gz AQYFJASLYKDAEZ-CQSZACIVSA-N 2 1 316.367 3.331 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2cccs2)s1 ZINC000352775646 265160947 /nfs/dbraw/zinc/16/09/47/265160947.db2.gz RVORMXGNTOBPKA-UHFFFAOYSA-N 2 1 309.504 3.334 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)Oc2ccccc2)s1 ZINC000352800339 265173508 /nfs/dbraw/zinc/17/35/08/265173508.db2.gz YVKKVJCOVJVBNT-UHFFFAOYSA-N 2 1 319.474 3.152 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352822278 265184265 /nfs/dbraw/zinc/18/42/65/265184265.db2.gz JMBGUWARCFLLGF-UHFFFAOYSA-N 2 1 303.353 3.452 20 0 DGADMP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000352861895 265201954 /nfs/dbraw/zinc/20/19/54/265201954.db2.gz KYILKEZHLBMKSA-ZDUSSCGKSA-N 2 1 314.520 3.061 20 0 DGADMP CSc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000352861895 265201956 /nfs/dbraw/zinc/20/19/56/265201956.db2.gz KYILKEZHLBMKSA-ZDUSSCGKSA-N 2 1 314.520 3.061 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000352888917 265215220 /nfs/dbraw/zinc/21/52/20/265215220.db2.gz WIABARPVHYNMPR-IEBWSBKVSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023980 265269674 /nfs/dbraw/zinc/26/96/74/265269674.db2.gz GSFVZVRSIUUYGJ-CQSZACIVSA-N 2 1 321.371 3.242 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000353328600 265392409 /nfs/dbraw/zinc/39/24/09/265392409.db2.gz GIHXPXMYYAZZCJ-NVXWUHKLSA-N 2 1 322.518 3.152 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000247445230 432230701 /nfs/dbraw/zinc/23/07/01/432230701.db2.gz XXZWERHLHWKENM-MJGOQNOKSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000247445230 432230708 /nfs/dbraw/zinc/23/07/08/432230708.db2.gz XXZWERHLHWKENM-MJGOQNOKSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000247445230 432230714 /nfs/dbraw/zinc/23/07/14/432230714.db2.gz XXZWERHLHWKENM-MJGOQNOKSA-N 2 1 301.478 3.374 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000355213419 266001536 /nfs/dbraw/zinc/00/15/36/266001536.db2.gz QNBCJDLRUAFQLS-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000355213419 266001539 /nfs/dbraw/zinc/00/15/39/266001539.db2.gz QNBCJDLRUAFQLS-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000355213419 266001544 /nfs/dbraw/zinc/00/15/44/266001544.db2.gz QNBCJDLRUAFQLS-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213556 266002510 /nfs/dbraw/zinc/00/25/10/266002510.db2.gz FIRZEWODZONHMI-PDGUBNMISA-N 2 1 307.441 3.207 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(C)(C)CC1 ZINC000355241681 266012496 /nfs/dbraw/zinc/01/24/96/266012496.db2.gz UBKKUNMZOPVFDC-KZNAEPCWSA-N 2 1 308.510 3.386 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(C)(C)CC1 ZINC000355241678 266012735 /nfs/dbraw/zinc/01/27/35/266012735.db2.gz UBKKUNMZOPVFDC-FGTMMUONSA-N 2 1 308.510 3.386 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@](C)(O)CC1 ZINC000355333106 266041491 /nfs/dbraw/zinc/04/14/91/266041491.db2.gz PMAWTKHUNKGFQS-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000355333106 266041493 /nfs/dbraw/zinc/04/14/93/266041493.db2.gz PMAWTKHUNKGFQS-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000355333106 266041495 /nfs/dbraw/zinc/04/14/95/266041495.db2.gz PMAWTKHUNKGFQS-FQEVSTJZSA-N 2 1 318.505 3.382 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000355747203 266171377 /nfs/dbraw/zinc/17/13/77/266171377.db2.gz IGQIRDSBOIEWKK-OAHLLOKOSA-N 2 1 310.457 3.333 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1C(C)(C)C ZINC000191189886 432232373 /nfs/dbraw/zinc/23/23/73/432232373.db2.gz BEPSESJFGYHBDZ-AWEZNQCLSA-N 2 1 318.509 3.472 20 0 DGADMP CCCOc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000359908186 271016767 /nfs/dbraw/zinc/01/67/67/271016767.db2.gz XNXLJLFBPSZDNA-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000367697193 271066652 /nfs/dbraw/zinc/06/66/52/271066652.db2.gz BYDNUHZVHSZKTG-HOCLYGCPSA-N 2 1 310.388 3.204 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367697325 271066711 /nfs/dbraw/zinc/06/67/11/271066711.db2.gz KSRHSIZQZUCGJZ-HNBVOPMISA-N 2 1 316.489 3.159 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367862513 271088381 /nfs/dbraw/zinc/08/83/81/271088381.db2.gz IZEDEWGPBLIVGP-KRWDZBQOSA-N 2 1 324.509 3.164 20 0 DGADMP Cc1ncc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368530415 271165276 /nfs/dbraw/zinc/16/52/76/271165276.db2.gz MDAHYQQRKHSVEZ-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)s1 ZINC000368530415 271165279 /nfs/dbraw/zinc/16/52/79/271165279.db2.gz MDAHYQQRKHSVEZ-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000368530415 271165282 /nfs/dbraw/zinc/16/52/82/271165282.db2.gz MDAHYQQRKHSVEZ-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368530415 271165283 /nfs/dbraw/zinc/16/52/83/271165283.db2.gz MDAHYQQRKHSVEZ-GOSISDBHSA-N 2 1 315.486 3.453 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cnn3ccccc23)C1 ZINC000369035082 271234262 /nfs/dbraw/zinc/23/42/62/271234262.db2.gz CSWHMAHBWJNCDU-LPHOPBHVSA-N 2 1 320.440 3.259 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cnn3ccccc23)C1 ZINC000369035082 271234264 /nfs/dbraw/zinc/23/42/64/271234264.db2.gz CSWHMAHBWJNCDU-LPHOPBHVSA-N 2 1 320.440 3.259 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000370477330 271362531 /nfs/dbraw/zinc/36/25/31/271362531.db2.gz NSOPBYYIIXUQOS-GOSISDBHSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000370477330 271362533 /nfs/dbraw/zinc/36/25/33/271362533.db2.gz NSOPBYYIIXUQOS-GOSISDBHSA-N 2 1 316.489 3.113 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000247892909 432252984 /nfs/dbraw/zinc/25/29/84/432252984.db2.gz FWKFZQDQBACHHY-FIYPYCPBSA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000247892909 432252987 /nfs/dbraw/zinc/25/29/87/432252987.db2.gz FWKFZQDQBACHHY-FIYPYCPBSA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000247892909 432252991 /nfs/dbraw/zinc/25/29/91/432252991.db2.gz FWKFZQDQBACHHY-FIYPYCPBSA-N 2 1 317.521 3.170 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423284770 273545946 /nfs/dbraw/zinc/54/59/46/273545946.db2.gz YJAMZZZTYDYKEE-JSGCOSHPSA-N 2 1 301.356 3.051 20 0 DGADMP CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247977509 432258339 /nfs/dbraw/zinc/25/83/39/432258339.db2.gz HYSREAQTOQIQKK-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247977509 432258342 /nfs/dbraw/zinc/25/83/42/432258342.db2.gz HYSREAQTOQIQKK-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247977509 432258345 /nfs/dbraw/zinc/25/83/45/432258345.db2.gz HYSREAQTOQIQKK-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247977509 432258348 /nfs/dbraw/zinc/25/83/48/432258348.db2.gz HYSREAQTOQIQKK-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000480758593 274048319 /nfs/dbraw/zinc/04/83/19/274048319.db2.gz SLHNPANKHDNTTC-FQEVSTJZSA-N 2 1 318.505 3.344 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000450271289 274061571 /nfs/dbraw/zinc/06/15/71/274061571.db2.gz PPYCMXUXCNUUDF-FQEVSTJZSA-N 2 1 316.489 3.194 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1coc(-c3cccs3)n1)CC[NH2+]CC2 ZINC000424282810 274284029 /nfs/dbraw/zinc/28/40/29/274284029.db2.gz AQLPZQPLKVJMKC-CYBMUJFWSA-N 2 1 317.458 3.367 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000345066994 274339869 /nfs/dbraw/zinc/33/98/69/274339869.db2.gz LWOGLCGZTSAUGU-SIZVQLJJSA-N 2 1 302.462 3.083 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423218026 274517940 /nfs/dbraw/zinc/51/79/40/274517940.db2.gz RARCWJBNXUZUFV-RWMBFGLXSA-N 2 1 320.868 3.265 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000277131267 274861110 /nfs/dbraw/zinc/86/11/10/274861110.db2.gz YSSUVPADMGEAAA-SJORKVTESA-N 2 1 319.836 3.355 20 0 DGADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415085286 275076179 /nfs/dbraw/zinc/07/61/79/275076179.db2.gz PTWOWLVCRCNQMP-IEBWSBKVSA-N 2 1 320.440 3.119 20 0 DGADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268739723 276151517 /nfs/dbraw/zinc/15/15/17/276151517.db2.gz RQXYZUPTJIUQSC-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000132956788 276395744 /nfs/dbraw/zinc/39/57/44/276395744.db2.gz ANTAEXHBIPMNRC-VQIMIIECSA-N 2 1 307.526 3.103 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000337377735 277062253 /nfs/dbraw/zinc/06/22/53/277062253.db2.gz BXGMWJVKTVSBOI-QZTJIDSGSA-N 2 1 322.880 3.116 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414176188 277083331 /nfs/dbraw/zinc/08/33/31/277083331.db2.gz IDIKAYBBAVDRRB-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337489238 277387565 /nfs/dbraw/zinc/38/75/65/277387565.db2.gz VCZKVFGOWQAOBD-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337489238 277387567 /nfs/dbraw/zinc/38/75/67/277387567.db2.gz VCZKVFGOWQAOBD-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000268775213 277988248 /nfs/dbraw/zinc/98/82/48/277988248.db2.gz VIMZKAVWKYMWPE-LJQANCHMSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414658846 278240447 /nfs/dbraw/zinc/24/04/47/278240447.db2.gz RRJHCTAVUSNQNN-LBPRGKRZSA-N 2 1 300.368 3.493 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338206 278344696 /nfs/dbraw/zinc/34/46/96/278344696.db2.gz AETQRYUMBKQMMU-UONOGXRCSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338206 278344698 /nfs/dbraw/zinc/34/46/98/278344698.db2.gz AETQRYUMBKQMMU-UONOGXRCSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000152457639 278351319 /nfs/dbraw/zinc/35/13/19/278351319.db2.gz YRMDHZAMABMBPZ-KGLIPLIRSA-N 2 1 305.441 3.027 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nc2c(s1)CCCC2 ZINC000279030779 278351932 /nfs/dbraw/zinc/35/19/32/278351932.db2.gz WENVIWBHDNNKGG-OLZOCXBDSA-N 2 1 316.474 3.132 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)[C@H]1CCC[NH2+]C1 ZINC000423218023 278365807 /nfs/dbraw/zinc/36/58/07/278365807.db2.gz RARCWJBNXUZUFV-AGIUHOORSA-N 2 1 320.868 3.265 20 0 DGADMP CC1CCN(C(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000261769309 278531006 /nfs/dbraw/zinc/53/10/06/278531006.db2.gz MMXSTYXFGGXFCN-OAHLLOKOSA-N 2 1 320.506 3.141 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000459420831 279122503 /nfs/dbraw/zinc/12/25/03/279122503.db2.gz GMYMTBATJVESIF-QFBILLFUSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnc2ccsc2c1 ZINC000068691294 431139839 /nfs/dbraw/zinc/13/98/39/431139839.db2.gz OOOASTGUAFCCEC-QWHCGFSZSA-N 2 1 301.459 3.431 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccco3)CC2)cs1 ZINC000111397369 431219808 /nfs/dbraw/zinc/21/98/08/431219808.db2.gz PODKOZRHSNCQML-UHFFFAOYSA-N 2 1 319.474 3.300 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000113514208 431351866 /nfs/dbraw/zinc/35/18/66/431351866.db2.gz LKFCWMQZBHATQZ-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000245908430 280186503 /nfs/dbraw/zinc/18/65/03/280186503.db2.gz FOWFWXNVIHSZSR-MAUKXSAKSA-N 2 1 308.441 3.103 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCc2c(Br)cccc2C1 ZINC000120158120 431725546 /nfs/dbraw/zinc/72/55/46/431725546.db2.gz KVTJMRKOMLQBGC-CQSZACIVSA-N 2 1 323.278 3.292 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632130 431797728 /nfs/dbraw/zinc/79/77/28/431797728.db2.gz QGZZDEYAVYJUQL-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632130 431797734 /nfs/dbraw/zinc/79/77/34/431797734.db2.gz QGZZDEYAVYJUQL-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632130 431797741 /nfs/dbraw/zinc/79/77/41/431797741.db2.gz QGZZDEYAVYJUQL-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000081632130 431797744 /nfs/dbraw/zinc/79/77/44/431797744.db2.gz QGZZDEYAVYJUQL-INIZCTEOSA-N 2 1 324.415 3.452 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000036999901 431842730 /nfs/dbraw/zinc/84/27/30/431842730.db2.gz UEUDUTNHGNOZNH-LBPRGKRZSA-N 2 1 311.267 3.064 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000037256181 431844522 /nfs/dbraw/zinc/84/45/22/431844522.db2.gz YOMXBVFUCPHSGY-SNVBAGLBSA-N 2 1 315.230 3.333 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000037267049 431845997 /nfs/dbraw/zinc/84/59/97/431845997.db2.gz UJHUBVCHBSKXGG-NSHDSACASA-N 2 1 302.340 3.330 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OC)c(OC)c1 ZINC000122838075 431846343 /nfs/dbraw/zinc/84/63/43/431846343.db2.gz ISLASSRVTNDGBC-QGZVFWFLSA-N 2 1 318.461 3.371 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000122978028 431850324 /nfs/dbraw/zinc/85/03/24/431850324.db2.gz MURLZTKPNPBDNQ-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000123003323 431851830 /nfs/dbraw/zinc/85/18/30/431851830.db2.gz RIOMRWZXTDSPGQ-MOPGFXCFSA-N 2 1 316.489 3.005 20 0 DGADMP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000088548960 431858276 /nfs/dbraw/zinc/85/82/76/431858276.db2.gz IMPRJFZQAKTBJD-IRXDYDNUSA-N 2 1 304.478 3.433 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCCCC2 ZINC000123514288 431867142 /nfs/dbraw/zinc/86/71/42/431867142.db2.gz VDPSSYGXXBVDKB-RYQLBKOJSA-N 2 1 306.494 3.188 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092563708 431909995 /nfs/dbraw/zinc/90/99/95/431909995.db2.gz RFYWSAQWGICMQT-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092564742 431910166 /nfs/dbraw/zinc/91/01/66/431910166.db2.gz MZQMVDSPTOQAMP-FHERZECASA-N 2 1 312.498 3.207 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092564742 431910167 /nfs/dbraw/zinc/91/01/67/431910167.db2.gz MZQMVDSPTOQAMP-FHERZECASA-N 2 1 312.498 3.207 20 0 DGADMP COCC[N@@H+](CCCCn1ccnc1C)Cc1ccc(C)o1 ZINC000125343329 431922248 /nfs/dbraw/zinc/92/22/48/431922248.db2.gz AHXWFPBDRHDIEI-UHFFFAOYSA-N 2 1 305.422 3.022 20 0 DGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C)o1 ZINC000125343329 431922254 /nfs/dbraw/zinc/92/22/54/431922254.db2.gz AHXWFPBDRHDIEI-UHFFFAOYSA-N 2 1 305.422 3.022 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000123926974 431879029 /nfs/dbraw/zinc/87/90/29/431879029.db2.gz HLOLIPAQDHTAOJ-CQSZACIVSA-N 2 1 312.461 3.396 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124352613 431891595 /nfs/dbraw/zinc/89/15/95/431891595.db2.gz RDHUYNXGOUWPIS-STQMWFEESA-N 2 1 310.388 3.423 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)nc(C)[nH+]1 ZINC000124378604 431893136 /nfs/dbraw/zinc/89/31/36/431893136.db2.gz BYCDPMFGXSMYMB-MRXNPFEDSA-N 2 1 300.450 3.008 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)C)cc1 ZINC000091284471 431904093 /nfs/dbraw/zinc/90/40/93/431904093.db2.gz IMKYXPRUKHOCAJ-BEFAXECRSA-N 2 1 302.462 3.466 20 0 DGADMP Cc1csc(C2([NH2+]CCCn3cc[nH+]c3C)CCCC2)n1 ZINC000127445619 431972446 /nfs/dbraw/zinc/97/24/46/431972446.db2.gz CPUGZJHIVPIXOS-UHFFFAOYSA-N 2 1 304.463 3.406 20 0 DGADMP Cn1ccnc1[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000127540266 431975201 /nfs/dbraw/zinc/97/52/01/431975201.db2.gz DJDFDPNFXHTQOK-LJQANCHMSA-N 2 1 324.472 3.257 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127779385 431980873 /nfs/dbraw/zinc/98/08/73/431980873.db2.gz LIDDIBJWVFCCKZ-XNJGSVPQSA-N 2 1 303.425 3.168 20 0 DGADMP C[NH+](C)C[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000125522192 431928504 /nfs/dbraw/zinc/92/85/04/431928504.db2.gz FCVKTRKBPVMCAV-IBGZPJMESA-N 2 1 317.521 3.028 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2cc(Cl)cc3c2OCC3)[C@H](C)C1 ZINC000125930203 431939041 /nfs/dbraw/zinc/93/90/41/431939041.db2.gz YSDRKPSQIXSKNN-WBMJQRKESA-N 2 1 308.853 3.095 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126867576 431959462 /nfs/dbraw/zinc/95/94/62/431959462.db2.gz LQPIDJOXBUVMNX-NVXWUHKLSA-N 2 1 310.507 3.221 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126867576 431959465 /nfs/dbraw/zinc/95/94/65/431959465.db2.gz LQPIDJOXBUVMNX-NVXWUHKLSA-N 2 1 310.507 3.221 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000127312857 431968940 /nfs/dbraw/zinc/96/89/40/431968940.db2.gz JDXFIYPEBAOWOE-IBGZPJMESA-N 2 1 313.445 3.263 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000127312857 431968942 /nfs/dbraw/zinc/96/89/42/431968942.db2.gz JDXFIYPEBAOWOE-IBGZPJMESA-N 2 1 313.445 3.263 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccc(OC)cc1 ZINC000191494554 432270904 /nfs/dbraw/zinc/27/09/04/432270904.db2.gz IQURNFDLQSFVQY-UHFFFAOYSA-N 2 1 315.461 3.409 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccc(OC)cc1 ZINC000191494554 432270909 /nfs/dbraw/zinc/27/09/09/432270909.db2.gz IQURNFDLQSFVQY-UHFFFAOYSA-N 2 1 315.461 3.409 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000270657739 432271725 /nfs/dbraw/zinc/27/17/25/432271725.db2.gz NUJYBZAPQCFDMP-GOSISDBHSA-N 2 1 319.424 3.022 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000270657739 432271726 /nfs/dbraw/zinc/27/17/26/432271726.db2.gz NUJYBZAPQCFDMP-GOSISDBHSA-N 2 1 319.424 3.022 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000191512965 432272374 /nfs/dbraw/zinc/27/23/74/432272374.db2.gz GNWZRXWZMOBOEZ-QYZOEREBSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000191533521 432273845 /nfs/dbraw/zinc/27/38/45/432273845.db2.gz INMOFUXKJFOEJU-IBGZPJMESA-N 2 1 304.478 3.090 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCn2ccnc2C)cc1OC ZINC000270681941 432275833 /nfs/dbraw/zinc/27/58/33/432275833.db2.gz VFLHJSAFGOGIID-INIZCTEOSA-N 2 1 315.417 3.046 20 0 DGADMP Cc1c([C@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000151908066 432288337 /nfs/dbraw/zinc/28/83/37/432288337.db2.gz KIRFUXJFNKALDQ-INIZCTEOSA-N 2 1 314.477 3.400 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000183514205 432298882 /nfs/dbraw/zinc/29/88/82/432298882.db2.gz NKXRFGNPZXBXQN-BASLNEPJSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000183514205 432298883 /nfs/dbraw/zinc/29/88/83/432298883.db2.gz NKXRFGNPZXBXQN-BASLNEPJSA-N 2 1 308.853 3.242 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000191409340 432262361 /nfs/dbraw/zinc/26/23/61/432262361.db2.gz QACHISFHHZCPBC-GOSISDBHSA-N 2 1 303.494 3.096 20 0 DGADMP CC(C)N(C)c1ccc(CNc2ccc3c(c2)C[N@H+](C)C3)cn1 ZINC000191408197 432262556 /nfs/dbraw/zinc/26/25/56/432262556.db2.gz KMQANHSIYFLBNK-UHFFFAOYSA-N 2 1 310.445 3.484 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H]1C ZINC000183150631 432263717 /nfs/dbraw/zinc/26/37/17/432263717.db2.gz QROARBKZXREMFC-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCOC2)C3)cc1 ZINC000248761656 432318661 /nfs/dbraw/zinc/31/86/61/432318661.db2.gz DQSCUJUFICWLRN-LWYYNNOASA-N 2 1 314.473 3.198 20 0 DGADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1 ZINC000271040913 432321547 /nfs/dbraw/zinc/32/15/47/432321547.db2.gz MOTOHFMJBSCGSB-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1 ZINC000271040913 432321552 /nfs/dbraw/zinc/32/15/52/432321552.db2.gz MOTOHFMJBSCGSB-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152407794 432330424 /nfs/dbraw/zinc/33/04/24/432330424.db2.gz CNOOOTKELLRVSI-CHWSQXEVSA-N 2 1 308.853 3.484 20 0 DGADMP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192087236 432332003 /nfs/dbraw/zinc/33/20/03/432332003.db2.gz RKAFSGFPJYGFNI-HUUCEWRRSA-N 2 1 317.477 3.373 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249052818 432336955 /nfs/dbraw/zinc/33/69/55/432336955.db2.gz XXZJDIBSALBHLO-LTFPLMDUSA-N 2 1 314.473 3.339 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248629540 432307831 /nfs/dbraw/zinc/30/78/31/432307831.db2.gz HGDBVBRMILUEMP-UAGQMJEPSA-N 2 1 302.462 3.187 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000173947534 432311063 /nfs/dbraw/zinc/31/10/63/432311063.db2.gz DFOPGAPJAIQYNO-MRXNPFEDSA-N 2 1 305.466 3.013 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000173947534 432311067 /nfs/dbraw/zinc/31/10/67/432311067.db2.gz DFOPGAPJAIQYNO-MRXNPFEDSA-N 2 1 305.466 3.013 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000271314211 432373333 /nfs/dbraw/zinc/37/33/33/432373333.db2.gz XGNJIYLZIMEYLR-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350370 432403267 /nfs/dbraw/zinc/40/32/67/432403267.db2.gz BJRDHHGTPIEGKR-VKJFTORMSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350370 432403270 /nfs/dbraw/zinc/40/32/70/432403270.db2.gz BJRDHHGTPIEGKR-VKJFTORMSA-N 2 1 317.477 3.221 20 0 DGADMP CC(C)(CCCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271478637 432404212 /nfs/dbraw/zinc/40/42/12/432404212.db2.gz HYBLAFKHAGQLFM-UHFFFAOYSA-N 2 1 318.505 3.082 20 0 DGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000174715684 432367102 /nfs/dbraw/zinc/36/71/02/432367102.db2.gz QTRFXPNBZQRWKP-UHFFFAOYSA-N 2 1 317.521 3.053 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000192925026 432429345 /nfs/dbraw/zinc/42/93/45/432429345.db2.gz VDPTZVCALUGQGH-MRXNPFEDSA-N 2 1 318.461 3.375 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539574 432430913 /nfs/dbraw/zinc/43/09/13/432430913.db2.gz CUQXEDWPZLPZIV-RLLQIKCJSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000261539574 432430919 /nfs/dbraw/zinc/43/09/19/432430919.db2.gz CUQXEDWPZLPZIV-RLLQIKCJSA-N 2 1 315.505 3.161 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(N)c3)C2)CC1 ZINC000261746310 432447010 /nfs/dbraw/zinc/44/70/10/432447010.db2.gz VOCNVUIESPPBIY-GOSISDBHSA-N 2 1 301.478 3.213 20 0 DGADMP c1coc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000261821734 432453533 /nfs/dbraw/zinc/45/35/33/432453533.db2.gz ARKYRTCBOAPDAW-OAHLLOKOSA-N 2 1 317.458 3.367 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271501688 432408478 /nfs/dbraw/zinc/40/84/78/432408478.db2.gz NINPSLSFIPHKBQ-MEBBXXQBSA-N 2 1 317.260 3.099 20 0 DGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192761492 432410649 /nfs/dbraw/zinc/41/06/49/432410649.db2.gz CLYVXEMZENREML-OALUTQOASA-N 2 1 309.542 3.303 20 0 DGADMP CCOC1CC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272308574 432479565 /nfs/dbraw/zinc/47/95/65/432479565.db2.gz IFZJKQNYODKQND-BJMVHTGZSA-N 2 1 302.462 3.054 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000185272972 432485675 /nfs/dbraw/zinc/48/56/75/432485675.db2.gz AQLYKXZGLFGOPT-ZBFHGGJFSA-N 2 1 320.452 3.087 20 0 DGADMP C[N@H+](Cc1ccc(CO)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272351635 432486874 /nfs/dbraw/zinc/48/68/74/432486874.db2.gz QRCUKIQVQYIPDI-NRFANRHFSA-N 2 1 324.468 3.133 20 0 DGADMP C[NH+](Cc1ccc(CO)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272351635 432486876 /nfs/dbraw/zinc/48/68/76/432486876.db2.gz QRCUKIQVQYIPDI-NRFANRHFSA-N 2 1 324.468 3.133 20 0 DGADMP C[NH+](Cc1ccc(CO)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272351635 432486879 /nfs/dbraw/zinc/48/68/79/432486879.db2.gz QRCUKIQVQYIPDI-NRFANRHFSA-N 2 1 324.468 3.133 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360308 432489161 /nfs/dbraw/zinc/48/91/61/432489161.db2.gz SCGBKRVEPMJUIO-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360308 432489163 /nfs/dbraw/zinc/48/91/63/432489163.db2.gz SCGBKRVEPMJUIO-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000272360308 432489165 /nfs/dbraw/zinc/48/91/65/432489165.db2.gz SCGBKRVEPMJUIO-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000272360308 432489167 /nfs/dbraw/zinc/48/91/67/432489167.db2.gz SCGBKRVEPMJUIO-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262543774 432489738 /nfs/dbraw/zinc/48/97/38/432489738.db2.gz RLEJZRLFODCQHE-PBWFPOADSA-N 2 1 314.351 3.300 20 0 DGADMP C[C@@H]([NH2+]CCCCCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272411284 432496831 /nfs/dbraw/zinc/49/68/31/432496831.db2.gz FQPCVOQEPIROED-MJGOQNOKSA-N 2 1 304.478 3.039 20 0 DGADMP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272450312 432503377 /nfs/dbraw/zinc/50/33/77/432503377.db2.gz VUEFJMLTWIVNRV-OKYOBFRVSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)cc1 ZINC000272458546 432506459 /nfs/dbraw/zinc/50/64/59/432506459.db2.gz QKSIUDPBHFEPNP-LSDHHAIUSA-N 2 1 301.434 3.382 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193254537 432460364 /nfs/dbraw/zinc/46/03/64/432460364.db2.gz GYAKANSVNWHONS-SFHVURJKSA-N 2 1 316.489 3.218 20 0 DGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000261923825 432462408 /nfs/dbraw/zinc/46/24/08/432462408.db2.gz YYZHYPQGZJADOP-HXUWFJFHSA-N 2 1 320.440 3.172 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018547 432464032 /nfs/dbraw/zinc/46/40/32/432464032.db2.gz KIOZIFARNIGLSH-USXIJHARSA-N 2 1 309.523 3.061 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]21 ZINC000261978004 432466531 /nfs/dbraw/zinc/46/65/31/432466531.db2.gz QZIOHEYRVHVZCJ-ADEWGFFLSA-N 2 1 304.381 3.326 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]21 ZINC000261978004 432466533 /nfs/dbraw/zinc/46/65/33/432466533.db2.gz QZIOHEYRVHVZCJ-ADEWGFFLSA-N 2 1 304.381 3.326 20 0 DGADMP c1csc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)co2)c1 ZINC000262035247 432469604 /nfs/dbraw/zinc/46/96/04/432469604.db2.gz ZMRSZOOZRONLPF-OAHLLOKOSA-N 2 1 317.458 3.367 20 0 DGADMP Clc1ccccc1O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262038160 432469801 /nfs/dbraw/zinc/46/98/01/432469801.db2.gz XXUNWDOVUTYRSN-CABCVRRESA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262038160 432469805 /nfs/dbraw/zinc/46/98/05/432469805.db2.gz XXUNWDOVUTYRSN-CABCVRRESA-N 2 1 308.853 3.183 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000194610675 432562246 /nfs/dbraw/zinc/56/22/46/432562246.db2.gz QDLIZZFKDYHGBT-UTKZUKDTSA-N 2 1 324.468 3.147 20 0 DGADMP C[N@H+](Cc1csc(Br)c1)CC1CC[NH+](C)CC1 ZINC000154795185 432522148 /nfs/dbraw/zinc/52/21/48/432522148.db2.gz KBOVFYRCWJTRGC-UHFFFAOYSA-N 2 1 317.296 3.284 20 0 DGADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185735168 432528164 /nfs/dbraw/zinc/52/81/64/432528164.db2.gz FDVGNFVUVYEYKL-WMZOPIPTSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154949302 432530640 /nfs/dbraw/zinc/53/06/40/432530640.db2.gz BZKAVCAUTZMVMY-GOEBONIOSA-N 2 1 315.461 3.028 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1F ZINC000272653078 432532150 /nfs/dbraw/zinc/53/21/50/432532150.db2.gz QDKNJVOHXDZXNS-IPMKNSEASA-N 2 1 320.452 3.244 20 0 DGADMP c1cc2c(nc[nH+]c2NC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000263764877 432574976 /nfs/dbraw/zinc/57/49/76/432574976.db2.gz IXWDHUMACPYKHS-UHFFFAOYSA-N 2 1 307.401 3.034 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(O)c1 ZINC000194840276 432581648 /nfs/dbraw/zinc/58/16/48/432581648.db2.gz XUWLWPGYFYKFHN-INIZCTEOSA-N 2 1 310.441 3.491 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(O)c1 ZINC000194840276 432581651 /nfs/dbraw/zinc/58/16/51/432581651.db2.gz XUWLWPGYFYKFHN-INIZCTEOSA-N 2 1 310.441 3.491 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)CC[N@H+]1C ZINC000186371735 432588468 /nfs/dbraw/zinc/58/84/68/432588468.db2.gz KWBQWRKUAYURNB-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)OC(C)C ZINC000186380419 432590121 /nfs/dbraw/zinc/59/01/21/432590121.db2.gz AVYMCLUXMMFEAC-FCEWJHQRSA-N 2 1 320.477 3.234 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC(C)C ZINC000186380419 432590125 /nfs/dbraw/zinc/59/01/25/432590125.db2.gz AVYMCLUXMMFEAC-FCEWJHQRSA-N 2 1 320.477 3.234 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(OC)c1 ZINC000263914644 432592415 /nfs/dbraw/zinc/59/24/15/432592415.db2.gz NYBVMDYOKKPEDW-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(OC)c1 ZINC000263914644 432592419 /nfs/dbraw/zinc/59/24/19/432592419.db2.gz NYBVMDYOKKPEDW-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273419965 432597112 /nfs/dbraw/zinc/59/71/12/432597112.db2.gz RPYOMOVHCGGIOW-DFQSSKMNSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000156495767 432597876 /nfs/dbraw/zinc/59/78/76/432597876.db2.gz REIXJTZGZQLIBD-DGCLKSJQSA-N 2 1 316.367 3.286 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000156495767 432597879 /nfs/dbraw/zinc/59/78/79/432597879.db2.gz REIXJTZGZQLIBD-DGCLKSJQSA-N 2 1 316.367 3.286 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000157930113 432632545 /nfs/dbraw/zinc/63/25/45/432632545.db2.gz MQFAPPXLHQTJPF-ICSRJNTNSA-N 2 1 318.505 3.346 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304891 288395722 /nfs/dbraw/zinc/39/57/22/288395722.db2.gz OVUHHVPFLLWXNL-VKJFTORMSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304891 288395724 /nfs/dbraw/zinc/39/57/24/288395724.db2.gz OVUHHVPFLLWXNL-VKJFTORMSA-N 2 1 322.880 3.492 20 0 DGADMP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000158966875 432664943 /nfs/dbraw/zinc/66/49/43/432664943.db2.gz SLLLVVCYBBGDGP-GJZGRUSLSA-N 2 1 320.481 3.416 20 0 DGADMP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000158966875 432664946 /nfs/dbraw/zinc/66/49/46/432664946.db2.gz SLLLVVCYBBGDGP-GJZGRUSLSA-N 2 1 320.481 3.416 20 0 DGADMP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccn1 ZINC000177841867 432668291 /nfs/dbraw/zinc/66/82/91/432668291.db2.gz CYMWVRVANMGJFA-AWEZNQCLSA-N 2 1 322.412 3.435 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH+]ccc2N)cc1 ZINC000188059874 432702267 /nfs/dbraw/zinc/70/22/67/432702267.db2.gz XQYORMUFUIUJPO-AWEZNQCLSA-N 2 1 324.428 3.291 20 0 DGADMP C[C@@H]([NH2+]CCc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740474 432703973 /nfs/dbraw/zinc/70/39/73/432703973.db2.gz AALJIHYMYYQWLY-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274803224 432710827 /nfs/dbraw/zinc/71/08/27/432710827.db2.gz VXEKIVHCSGEXKO-YTQUADARSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000227367153 432711392 /nfs/dbraw/zinc/71/13/92/432711392.db2.gz LEQNPCNIMYXNME-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br ZINC000227367153 432711397 /nfs/dbraw/zinc/71/13/97/432711397.db2.gz LEQNPCNIMYXNME-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP CN(C)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000227535614 432711680 /nfs/dbraw/zinc/71/16/80/432711680.db2.gz LHDMFEFPJJAMMG-OWCLPIDISA-N 2 1 301.459 3.085 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC000228534784 432718233 /nfs/dbraw/zinc/71/82/33/432718233.db2.gz GRHJGLQPVFLQOR-BPLDGKMQSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@H]21 ZINC000228534784 432718237 /nfs/dbraw/zinc/71/82/37/432718237.db2.gz GRHJGLQPVFLQOR-BPLDGKMQSA-N 2 1 309.251 3.008 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)CCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274864581 432718547 /nfs/dbraw/zinc/71/85/47/432718547.db2.gz DOHXCBQQLHDXOM-HKUYNNGSSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177910601 432672498 /nfs/dbraw/zinc/67/24/98/432672498.db2.gz VWEVIXUAGXZENL-CJNGLKHVSA-N 2 1 323.868 3.131 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1OC ZINC000159206191 432674883 /nfs/dbraw/zinc/67/48/83/432674883.db2.gz PAUZKNSTZSTONK-GOSISDBHSA-N 2 1 320.477 3.237 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC000265213732 432675904 /nfs/dbraw/zinc/67/59/04/432675904.db2.gz VCCZRPVWOYDCDD-YJBOKZPZSA-N 2 1 308.441 3.052 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1sccc1Br ZINC000275773053 432747142 /nfs/dbraw/zinc/74/71/42/432747142.db2.gz ZEMCVEMNBBUMMO-JQWIXIFHSA-N 2 1 317.296 3.283 20 0 DGADMP Cc1ncc(C[NH2+]C2CC[NH+](C(C)C)CC2)n1-c1ccccc1 ZINC000236601499 432750337 /nfs/dbraw/zinc/75/03/37/432750337.db2.gz TYCPJNHPEWTWIO-UHFFFAOYSA-N 2 1 312.461 3.143 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+]CCC[NH+]3CCCCC3)c2O1 ZINC000236764321 432763599 /nfs/dbraw/zinc/76/35/99/432763599.db2.gz KQSUKZGPNBWOGV-UHFFFAOYSA-N 2 1 302.462 3.366 20 0 DGADMP CSCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000178662135 432763720 /nfs/dbraw/zinc/76/37/20/432763720.db2.gz MHZNRXHJZPFGAK-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178662135 432763724 /nfs/dbraw/zinc/76/37/24/432763724.db2.gz MHZNRXHJZPFGAK-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178662135 432763730 /nfs/dbraw/zinc/76/37/30/432763730.db2.gz MHZNRXHJZPFGAK-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP CCCCCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000236766960 432763934 /nfs/dbraw/zinc/76/39/34/432763934.db2.gz LDYXMHMIPIZFTP-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000266611450 432770893 /nfs/dbraw/zinc/77/08/93/432770893.db2.gz WQFOXNFKZFBGLU-FQEVSTJZSA-N 2 1 318.505 3.300 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(C)CCCO1 ZINC000237131832 432778507 /nfs/dbraw/zinc/77/85/07/432778507.db2.gz MGAJGPRDUIYBOD-LJQANCHMSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231670596 432731937 /nfs/dbraw/zinc/73/19/37/432731937.db2.gz TUVNZHPYHORQGD-CQSZACIVSA-N 2 1 315.230 3.162 20 0 DGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1SC ZINC000275577997 432732853 /nfs/dbraw/zinc/73/28/53/432732853.db2.gz ITYPSLUNEUNFAO-DZGCQCFKSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1SC ZINC000275577997 432732857 /nfs/dbraw/zinc/73/28/57/432732857.db2.gz ITYPSLUNEUNFAO-DZGCQCFKSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1SC ZINC000275577997 432732861 /nfs/dbraw/zinc/73/28/61/432732861.db2.gz ITYPSLUNEUNFAO-DZGCQCFKSA-N 2 1 308.491 3.189 20 0 DGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1SC ZINC000275577997 432732865 /nfs/dbraw/zinc/73/28/65/432732865.db2.gz ITYPSLUNEUNFAO-DZGCQCFKSA-N 2 1 308.491 3.189 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231461290 432733463 /nfs/dbraw/zinc/73/34/63/432733463.db2.gz PMWAPJYNCPQTGX-ZDUSSCGKSA-N 2 1 302.340 3.159 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275661388 432737553 /nfs/dbraw/zinc/73/75/53/432737553.db2.gz GCNHFOZXAGDIIC-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328847 432740007 /nfs/dbraw/zinc/74/00/07/432740007.db2.gz FCGBQZBHAMOAOA-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328847 432740010 /nfs/dbraw/zinc/74/00/10/432740010.db2.gz FCGBQZBHAMOAOA-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1OC ZINC000162729189 432831843 /nfs/dbraw/zinc/83/18/43/432831843.db2.gz FBKHAJUOUCFHTD-IAGOWNOFSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000162729189 432831846 /nfs/dbraw/zinc/83/18/46/432831846.db2.gz FBKHAJUOUCFHTD-IAGOWNOFSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000162729189 432831849 /nfs/dbraw/zinc/83/18/49/432831849.db2.gz FBKHAJUOUCFHTD-IAGOWNOFSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1O ZINC000277265358 432832295 /nfs/dbraw/zinc/83/22/95/432832295.db2.gz QXMKWXCJPHKTDV-HNNXBMFYSA-N 2 1 320.477 3.186 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccco3)CC2)oc1C ZINC000162764269 432833926 /nfs/dbraw/zinc/83/39/26/432833926.db2.gz YCZXVTHLUUQWKS-CQSZACIVSA-N 2 1 317.433 3.447 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000162857489 432836749 /nfs/dbraw/zinc/83/67/49/432836749.db2.gz NSEXYYWZVWTOLO-SFHVURJKSA-N 2 1 317.433 3.246 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000162857489 432836752 /nfs/dbraw/zinc/83/67/52/432836752.db2.gz NSEXYYWZVWTOLO-SFHVURJKSA-N 2 1 317.433 3.246 20 0 DGADMP O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161543304 432784257 /nfs/dbraw/zinc/78/42/57/432784257.db2.gz MVGOYUNVYQBRLE-SJORKVTESA-N 2 1 306.450 3.044 20 0 DGADMP O[C@@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161543304 432784261 /nfs/dbraw/zinc/78/42/61/432784261.db2.gz MVGOYUNVYQBRLE-SJORKVTESA-N 2 1 306.450 3.044 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000161595368 432787789 /nfs/dbraw/zinc/78/77/89/432787789.db2.gz UKMBMVZMXJIXCT-CGTJXYLNSA-N 2 1 302.462 3.233 20 0 DGADMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)C2CC2)cc1 ZINC000178956134 432790706 /nfs/dbraw/zinc/79/07/06/432790706.db2.gz HWKYGNXLPWERHD-HNNXBMFYSA-N 2 1 302.462 3.295 20 0 DGADMP O[C@@H](C[C@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1)c1ccccc1 ZINC000178977142 432792094 /nfs/dbraw/zinc/79/20/94/432792094.db2.gz GFSQQNNHYKZJGM-UXHICEINSA-N 2 1 316.489 3.354 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278417093 432895459 /nfs/dbraw/zinc/89/54/59/432895459.db2.gz FUNHYSAORJAGIU-QZTJIDSGSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278417093 432895464 /nfs/dbraw/zinc/89/54/64/432895464.db2.gz FUNHYSAORJAGIU-QZTJIDSGSA-N 2 1 304.478 3.098 20 0 DGADMP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788669 432862723 /nfs/dbraw/zinc/86/27/23/432862723.db2.gz ZWQWIULLQJEMKM-CADBVGFASA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245851047 432865177 /nfs/dbraw/zinc/86/51/77/432865177.db2.gz GJSFYQJEFHMPAV-CWQOZTLDSA-N 2 1 308.510 3.148 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000245913977 432869460 /nfs/dbraw/zinc/86/94/60/432869460.db2.gz PRKZWOYGFBAXHA-BSDSXHPESA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3s2)CCCO1 ZINC000277708757 432871359 /nfs/dbraw/zinc/87/13/59/432871359.db2.gz IMFWRELSMYNMTF-OAHLLOKOSA-N 2 1 318.486 3.492 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3s2)CCCO1 ZINC000277708757 432871362 /nfs/dbraw/zinc/87/13/62/432871362.db2.gz IMFWRELSMYNMTF-OAHLLOKOSA-N 2 1 318.486 3.492 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000245947311 432872301 /nfs/dbraw/zinc/87/23/01/432872301.db2.gz VWFXLXHRYZKPIH-HYVNUMGLSA-N 2 1 307.482 3.257 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C12CCC2 ZINC000245951904 432872601 /nfs/dbraw/zinc/87/26/01/432872601.db2.gz WOGKYWQOYLXCRO-FGTMMUONSA-N 2 1 308.510 3.292 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000246041714 432875124 /nfs/dbraw/zinc/87/51/24/432875124.db2.gz XDBPEXNUULKAOI-HOCLYGCPSA-N 2 1 305.466 3.079 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000246041714 432875127 /nfs/dbraw/zinc/87/51/27/432875127.db2.gz XDBPEXNUULKAOI-HOCLYGCPSA-N 2 1 305.466 3.079 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000277836032 432878065 /nfs/dbraw/zinc/87/80/65/432878065.db2.gz WPQHAPHTKLATRK-UHFFFAOYSA-N 2 1 312.339 3.127 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000277836032 432878066 /nfs/dbraw/zinc/87/80/66/432878066.db2.gz WPQHAPHTKLATRK-UHFFFAOYSA-N 2 1 312.339 3.127 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000296200122 432882688 /nfs/dbraw/zinc/88/26/88/432882688.db2.gz YYBAXIKBNLKZSP-BPUTZDHNSA-N 2 1 305.853 3.329 20 0 DGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000296200122 432882690 /nfs/dbraw/zinc/88/26/90/432882690.db2.gz YYBAXIKBNLKZSP-BPUTZDHNSA-N 2 1 305.853 3.329 20 0 DGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278403511 432893235 /nfs/dbraw/zinc/89/32/35/432893235.db2.gz DSLXSPYCNQFCLA-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278403511 432893239 /nfs/dbraw/zinc/89/32/39/432893239.db2.gz DSLXSPYCNQFCLA-SJORKVTESA-N 2 1 320.477 3.155 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000268101933 432845050 /nfs/dbraw/zinc/84/50/50/432845050.db2.gz KWCRYDKXKCAMEJ-WOJBJXKFSA-N 2 1 316.489 3.306 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245566309 432846271 /nfs/dbraw/zinc/84/62/71/432846271.db2.gz XDBMSYBFLZLCBD-FXAWDEMLSA-N 2 1 316.489 3.338 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000277408984 432846647 /nfs/dbraw/zinc/84/66/47/432846647.db2.gz IHXQFKPPSWVZJS-KRWDZBQOSA-N 2 1 316.424 3.132 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000277408984 432846649 /nfs/dbraw/zinc/84/66/49/432846649.db2.gz IHXQFKPPSWVZJS-KRWDZBQOSA-N 2 1 316.424 3.132 20 0 DGADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000163304010 432849048 /nfs/dbraw/zinc/84/90/48/432849048.db2.gz SPLMWIYUYDYQJN-RYUDHWBXSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000163304010 432849051 /nfs/dbraw/zinc/84/90/51/432849051.db2.gz SPLMWIYUYDYQJN-RYUDHWBXSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000163304010 432849055 /nfs/dbraw/zinc/84/90/55/432849055.db2.gz SPLMWIYUYDYQJN-RYUDHWBXSA-N 2 1 316.367 3.420 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)COc2ccccc2OC)[C@H](C)C1 ZINC000245611422 432849441 /nfs/dbraw/zinc/84/94/41/432849441.db2.gz SVGGCHXGHDRPHW-BBWFWOEESA-N 2 1 320.477 3.030 20 0 DGADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000277446470 432851668 /nfs/dbraw/zinc/85/16/68/432851668.db2.gz KLGMJUQEPHEUSJ-SFHVURJKSA-N 2 1 312.461 3.003 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000277446470 432851669 /nfs/dbraw/zinc/85/16/69/432851669.db2.gz KLGMJUQEPHEUSJ-SFHVURJKSA-N 2 1 312.461 3.003 20 0 DGADMP c1cn(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245655333 432853225 /nfs/dbraw/zinc/85/32/25/432853225.db2.gz DHXUBDKQNVHJRT-OWZKRDHZSA-N 2 1 324.472 3.058 20 0 DGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000278963710 432922478 /nfs/dbraw/zinc/92/24/78/432922478.db2.gz MRGVEJOEEZXXBX-YPMHNXCESA-N 2 1 304.463 3.124 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278972946 432923250 /nfs/dbraw/zinc/92/32/50/432923250.db2.gz NVCLNENSCKUVEJ-OLZOCXBDSA-N 2 1 316.474 3.132 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cnc2ccsc2c1 ZINC000279000561 432925524 /nfs/dbraw/zinc/92/55/24/432925524.db2.gz RHSNVRKIVUWCTG-STQMWFEESA-N 2 1 312.442 3.406 20 0 DGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000279007736 432925778 /nfs/dbraw/zinc/92/57/78/432925778.db2.gz SNBJPKOWPUKGAD-PJIJBLCYSA-N 2 1 313.420 3.498 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000289190827 432931020 /nfs/dbraw/zinc/93/10/20/432931020.db2.gz IXZANVMVSFTVPJ-INIZCTEOSA-N 2 1 306.425 3.284 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000279157723 432940510 /nfs/dbraw/zinc/94/05/10/432940510.db2.gz BDTGINRYLARSBE-QZTJIDSGSA-N 2 1 302.462 3.289 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000289010977 432912970 /nfs/dbraw/zinc/91/29/70/432912970.db2.gz ACJATCGEULYOFG-UHFFFAOYSA-N 2 1 324.472 3.008 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289085585 432920547 /nfs/dbraw/zinc/92/05/47/432920547.db2.gz BEJQTVFNQPFLPQ-YLJYHZDGSA-N 2 1 315.505 3.242 20 0 DGADMP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297587958 432998638 /nfs/dbraw/zinc/99/86/38/432998638.db2.gz IYCQYTLSBHFVFW-ZWKOTPCHSA-N 2 1 320.864 3.386 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(OC)n1 ZINC000289379052 432952378 /nfs/dbraw/zinc/95/23/78/432952378.db2.gz CEGLCBJOFOPLOR-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000341277112 433013462 /nfs/dbraw/zinc/01/34/62/433013462.db2.gz FBMBUFBGCHEMFB-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000280221502 433018507 /nfs/dbraw/zinc/01/85/07/433018507.db2.gz LGGGZCJXGPAQBH-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1cc(Cl)ccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000280221502 433018513 /nfs/dbraw/zinc/01/85/13/433018513.db2.gz LGGGZCJXGPAQBH-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290346848 433035510 /nfs/dbraw/zinc/03/55/10/433035510.db2.gz FVDADGKOAALCOG-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(O)c(OCC)c2)CC1 ZINC000297990233 433039173 /nfs/dbraw/zinc/03/91/73/433039173.db2.gz YRGGVFRZABBBEW-UHFFFAOYSA-N 2 1 306.450 3.097 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000290447045 433054102 /nfs/dbraw/zinc/05/41/02/433054102.db2.gz VURWQTDFXDLKND-OAHLLOKOSA-N 2 1 317.433 3.164 20 0 DGADMP c1ccc(N2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000280504356 433064995 /nfs/dbraw/zinc/06/49/95/433064995.db2.gz GKXOXKQEDPTEMQ-QUCCMNQESA-N 2 1 313.489 3.119 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000350146230 433093596 /nfs/dbraw/zinc/09/35/96/433093596.db2.gz KGDVMUAQGUUAJW-UHFFFAOYSA-N 2 1 324.538 3.153 20 0 DGADMP CC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H](C)O ZINC000453328409 433095137 /nfs/dbraw/zinc/09/51/37/433095137.db2.gz PLZUNMSDUIPYQD-HJZRJOMTSA-N 2 1 304.478 3.179 20 0 DGADMP Cc1nccc(N2CCN(Cc3cccs3)CC2)c1Cl ZINC000350260157 433123504 /nfs/dbraw/zinc/12/35/04/433123504.db2.gz YOWUHOKAVLLYNJ-UHFFFAOYSA-N 2 1 307.850 3.427 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000290634658 433125036 /nfs/dbraw/zinc/12/50/36/433125036.db2.gz YEDOIIJJFMHLIW-HDMKZQKVSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000290634658 433125042 /nfs/dbraw/zinc/12/50/42/433125042.db2.gz YEDOIIJJFMHLIW-HDMKZQKVSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000290634658 433125050 /nfs/dbraw/zinc/12/50/50/433125050.db2.gz YEDOIIJJFMHLIW-HDMKZQKVSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000290634658 433125059 /nfs/dbraw/zinc/12/50/59/433125059.db2.gz YEDOIIJJFMHLIW-HDMKZQKVSA-N 2 1 322.468 3.285 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000453365649 433125811 /nfs/dbraw/zinc/12/58/11/433125811.db2.gz SOIGOQWOJPGYPS-GSPSYOTPSA-N 2 1 305.491 3.298 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000453365649 433125818 /nfs/dbraw/zinc/12/58/18/433125818.db2.gz SOIGOQWOJPGYPS-GSPSYOTPSA-N 2 1 305.491 3.298 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000290632503 433126700 /nfs/dbraw/zinc/12/67/00/433126700.db2.gz YAZZALBEHOXMBN-AWEZNQCLSA-N 2 1 312.379 3.268 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nccnc1C ZINC000446928812 433131338 /nfs/dbraw/zinc/13/13/38/433131338.db2.gz NAHOUXCAQCPDNT-YESZJQIVSA-N 2 1 304.482 3.336 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@@H](C)c2ccccc2)cc1 ZINC000420297929 433147108 /nfs/dbraw/zinc/14/71/08/433147108.db2.gz GQKLQJAMINDUPB-VQIMIIECSA-N 2 1 312.457 3.473 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000420299461 433147536 /nfs/dbraw/zinc/14/75/36/433147536.db2.gz GOTJBTVPKOWKPF-MAUKXSAKSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000453393858 433150346 /nfs/dbraw/zinc/15/03/46/433150346.db2.gz GNXMQFKQQFYWKV-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccccc2F)cc1 ZINC000420295926 433150484 /nfs/dbraw/zinc/15/04/84/433150484.db2.gz BDUBTWPWEDAREC-MRXNPFEDSA-N 2 1 302.393 3.009 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000420295926 433150493 /nfs/dbraw/zinc/15/04/93/433150493.db2.gz BDUBTWPWEDAREC-MRXNPFEDSA-N 2 1 302.393 3.009 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000290737845 433150987 /nfs/dbraw/zinc/15/09/87/433150987.db2.gz PVSIFJWVQYDIKA-BBRMVZONSA-N 2 1 319.836 3.076 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)nc2c1 ZINC000420308941 433156469 /nfs/dbraw/zinc/15/64/69/433156469.db2.gz SOPSCWIFRLYXGZ-UKRRQHHQSA-N 2 1 301.459 3.433 20 0 DGADMP CCCO[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420309940 433156727 /nfs/dbraw/zinc/15/67/27/433156727.db2.gz UKFNZFOVCGLXNK-MJGOQNOKSA-N 2 1 320.477 3.019 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2cccn2)cc1 ZINC000453402843 433157798 /nfs/dbraw/zinc/15/77/98/433157798.db2.gz NZDZIWOMAVVDLC-MRXNPFEDSA-N 2 1 312.461 3.397 20 0 DGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420313653 433159545 /nfs/dbraw/zinc/15/95/45/433159545.db2.gz YIIMXMPVDLODQI-SOLBZPMBSA-N 2 1 322.518 3.344 20 0 DGADMP Cc1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)sc1C ZINC000420315692 433159826 /nfs/dbraw/zinc/15/98/26/433159826.db2.gz LCSXJUPLIPSKEO-JKSUJKDBSA-N 2 1 307.507 3.329 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000420317069 433162960 /nfs/dbraw/zinc/16/29/60/433162960.db2.gz MXVOZFHZUCRDMX-HIFRSBDPSA-N 2 1 316.470 3.418 20 0 DGADMP c1cc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)co1 ZINC000420330305 433164518 /nfs/dbraw/zinc/16/45/18/433164518.db2.gz AXHQFMDEIZDXPZ-INIZCTEOSA-N 2 1 317.458 3.367 20 0 DGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420321234 433164923 /nfs/dbraw/zinc/16/49/23/433164923.db2.gz QZXLVDOFJVGFSG-KRWDZBQOSA-N 2 1 317.477 3.035 20 0 DGADMP CCCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420320368 433168013 /nfs/dbraw/zinc/16/80/13/433168013.db2.gz BLIIVWXGUCILNG-CABCVRRESA-N 2 1 307.507 3.307 20 0 DGADMP C[C@@H]([NH2+]CCCC1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361425898 433168528 /nfs/dbraw/zinc/16/85/28/433168528.db2.gz KBJLMPCRSZDIME-AEFFLSMTSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]([NH2+]CCCC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361425900 433168730 /nfs/dbraw/zinc/16/87/30/433168730.db2.gz KBJLMPCRSZDIME-SJLPKXTDSA-N 2 1 308.510 3.436 20 0 DGADMP c1csc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)c1 ZINC000453413479 433168645 /nfs/dbraw/zinc/16/86/45/433168645.db2.gz HULLJYFZVWHLOQ-XUWVNRHRSA-N 2 1 306.475 3.185 20 0 DGADMP CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425331174 433168903 /nfs/dbraw/zinc/16/89/03/433168903.db2.gz XBZIWQRRUKMAAM-AWEZNQCLSA-N 2 1 304.463 3.057 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340289 433169278 /nfs/dbraw/zinc/16/92/78/433169278.db2.gz ZXATWGHCVGBCAH-UKRRQHHQSA-N 2 1 308.853 3.088 20 0 DGADMP c1csc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420337736 433169713 /nfs/dbraw/zinc/16/97/13/433169713.db2.gz WZMBZRZHLBRISP-UONOGXRCSA-N 2 1 317.458 3.225 20 0 DGADMP c1csc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420337939 433169808 /nfs/dbraw/zinc/16/98/08/433169808.db2.gz KJMKPVWHLPZCJO-KBPBESRZSA-N 2 1 317.458 3.225 20 0 DGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420335715 433170319 /nfs/dbraw/zinc/17/03/19/433170319.db2.gz LZDDOVOTFZSGJR-CALCHBBNSA-N 2 1 304.503 3.327 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339992 433170636 /nfs/dbraw/zinc/17/06/36/433170636.db2.gz RTDDQVJYYVGXTA-UKRRQHHQSA-N 2 1 305.466 3.497 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420337824 433171317 /nfs/dbraw/zinc/17/13/17/433171317.db2.gz XGLAPTSNSCJECC-KBPBESRZSA-N 2 1 308.853 3.170 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)n2C)s1 ZINC000425337583 433171943 /nfs/dbraw/zinc/17/19/43/433171943.db2.gz NZATZLHWFYAXLC-AWEZNQCLSA-N 2 1 304.463 3.193 20 0 DGADMP Cc1ccc([C@@H]2CCCN2Cc2cnc(N(C)C)n2C)s1 ZINC000425337583 433171957 /nfs/dbraw/zinc/17/19/57/433171957.db2.gz NZATZLHWFYAXLC-AWEZNQCLSA-N 2 1 304.463 3.193 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453420129 433172597 /nfs/dbraw/zinc/17/25/97/433172597.db2.gz ZFKVVVKJSLSODU-LBPRGKRZSA-N 2 1 310.463 3.060 20 0 DGADMP CN(C)c1ncc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)n1C ZINC000425334701 433173350 /nfs/dbraw/zinc/17/33/50/433173350.db2.gz HAQHMPNEALHOAO-IBGZPJMESA-N 2 1 312.461 3.083 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000420360974 433174170 /nfs/dbraw/zinc/17/41/70/433174170.db2.gz MSFXOEGEYXWEOE-HIFRSBDPSA-N 2 1 307.507 3.404 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000420360294 433174950 /nfs/dbraw/zinc/17/49/50/433174950.db2.gz LVIQFWOEOGGXKJ-HNNXBMFYSA-N 2 1 320.383 3.148 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000420360294 433174960 /nfs/dbraw/zinc/17/49/60/433174960.db2.gz LVIQFWOEOGGXKJ-HNNXBMFYSA-N 2 1 320.383 3.148 20 0 DGADMP Clc1cccc(O[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000420356923 433175373 /nfs/dbraw/zinc/17/53/73/433175373.db2.gz HELCYARPXLDZSY-PBHICJAKSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1cccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355366 433176529 /nfs/dbraw/zinc/17/65/29/433176529.db2.gz FJWVDGXGBBQTGO-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1cccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420355366 433176537 /nfs/dbraw/zinc/17/65/37/433176537.db2.gz FJWVDGXGBBQTGO-PBHICJAKSA-N 2 1 308.853 3.103 20 0 DGADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@H]2CCCOC2)CC1 ZINC000336704623 433181771 /nfs/dbraw/zinc/18/17/71/433181771.db2.gz GLTCWWBOEZQBAW-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@H]2CCCOC2)CC1 ZINC000336704623 433181775 /nfs/dbraw/zinc/18/17/75/433181775.db2.gz GLTCWWBOEZQBAW-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1 ZINC000350481714 433182425 /nfs/dbraw/zinc/18/24/25/433182425.db2.gz RHPJNDZPSMDPSR-GJZGRUSLSA-N 2 1 323.444 3.196 20 0 DGADMP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)O1 ZINC000336725403 433183855 /nfs/dbraw/zinc/18/38/55/433183855.db2.gz YKSWSHIENVHIJN-VBSBHUPXSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)O1 ZINC000336725403 433183860 /nfs/dbraw/zinc/18/38/60/433183860.db2.gz YKSWSHIENVHIJN-VBSBHUPXSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)O1 ZINC000336725403 433183869 /nfs/dbraw/zinc/18/38/69/433183869.db2.gz YKSWSHIENVHIJN-VBSBHUPXSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000336725401 433184736 /nfs/dbraw/zinc/18/47/36/433184736.db2.gz YKSWSHIENVHIJN-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000336725401 433184744 /nfs/dbraw/zinc/18/47/44/433184744.db2.gz YKSWSHIENVHIJN-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000336725401 433184754 /nfs/dbraw/zinc/18/47/54/433184754.db2.gz YKSWSHIENVHIJN-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1ncccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336724044 433187287 /nfs/dbraw/zinc/18/72/87/433187287.db2.gz ULMPWTZJQZZFRZ-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336724044 433187292 /nfs/dbraw/zinc/18/72/92/433187292.db2.gz ULMPWTZJQZZFRZ-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336724044 433187302 /nfs/dbraw/zinc/18/73/02/433187302.db2.gz ULMPWTZJQZZFRZ-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000341658422 433190570 /nfs/dbraw/zinc/19/05/70/433190570.db2.gz MNQZSIYFDXKXFU-AWEZNQCLSA-N 2 1 317.433 3.340 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420406884 433198540 /nfs/dbraw/zinc/19/85/40/433198540.db2.gz USVSGYQJSXODAJ-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374730486 433268665 /nfs/dbraw/zinc/26/86/65/433268665.db2.gz ARITVYSGCQXWLC-SFHVURJKSA-N 2 1 323.444 3.268 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374730486 433268675 /nfs/dbraw/zinc/26/86/75/433268675.db2.gz ARITVYSGCQXWLC-SFHVURJKSA-N 2 1 323.444 3.268 20 0 DGADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454978 433249632 /nfs/dbraw/zinc/24/96/32/433249632.db2.gz FONIYKOWHCCOFQ-UXHICEINSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000425454978 433249643 /nfs/dbraw/zinc/24/96/43/433249643.db2.gz FONIYKOWHCCOFQ-UXHICEINSA-N 2 1 314.473 3.009 20 0 DGADMP COCCSc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000341752962 433252538 /nfs/dbraw/zinc/25/25/38/433252538.db2.gz YZWNLBGWQGVQNC-CQSZACIVSA-N 2 1 319.474 3.281 20 0 DGADMP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918003 433315224 /nfs/dbraw/zinc/31/52/24/433315224.db2.gz UWBIFUKPMSYHQK-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918003 433315231 /nfs/dbraw/zinc/31/52/31/433315231.db2.gz UWBIFUKPMSYHQK-APWZRJJASA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H](O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852726 433317562 /nfs/dbraw/zinc/31/75/62/433317562.db2.gz ODBAMQFIEZBGIZ-JENIJYKNSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852726 433317570 /nfs/dbraw/zinc/31/75/70/433317570.db2.gz ODBAMQFIEZBGIZ-JENIJYKNSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852726 433317576 /nfs/dbraw/zinc/31/75/76/433317576.db2.gz ODBAMQFIEZBGIZ-JENIJYKNSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000354852726 433317582 /nfs/dbraw/zinc/31/75/82/433317582.db2.gz ODBAMQFIEZBGIZ-JENIJYKNSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420921823 433317898 /nfs/dbraw/zinc/31/78/98/433317898.db2.gz DNBFXLKJKKPJQE-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420921823 433317907 /nfs/dbraw/zinc/31/79/07/433317907.db2.gz DNBFXLKJKKPJQE-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000374960811 433318802 /nfs/dbraw/zinc/31/88/02/433318802.db2.gz GZHNWUDQJSXKSK-HSALFYBXSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000354811333 433286654 /nfs/dbraw/zinc/28/66/54/433286654.db2.gz WHKRQDAOYJJRBJ-SXLOBPIMSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000350801479 433286657 /nfs/dbraw/zinc/28/66/57/433286657.db2.gz JVLHEDMPRXPGOF-BACDZXNISA-N 2 1 322.493 3.103 20 0 DGADMP C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000350804531 433291370 /nfs/dbraw/zinc/29/13/70/433291370.db2.gz YPEKGLJOONPTQJ-ROUUACIJSA-N 2 1 316.489 3.435 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556238 433297551 /nfs/dbraw/zinc/29/75/51/433297551.db2.gz SKFICVDWKRXRJV-ZWKOTPCHSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556238 433297559 /nfs/dbraw/zinc/29/75/59/433297559.db2.gz SKFICVDWKRXRJV-ZWKOTPCHSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556238 433297568 /nfs/dbraw/zinc/29/75/68/433297568.db2.gz SKFICVDWKRXRJV-ZWKOTPCHSA-N 2 1 306.494 3.142 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1 ZINC000420905486 433303480 /nfs/dbraw/zinc/30/34/80/433303480.db2.gz DDQVDQFUYSLZNL-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1 ZINC000420905486 433303490 /nfs/dbraw/zinc/30/34/90/433303490.db2.gz DDQVDQFUYSLZNL-MRXNPFEDSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000341837937 433309057 /nfs/dbraw/zinc/30/90/57/433309057.db2.gz XWHUKNFUAKNHOA-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)CCOc1ccccc1C ZINC000420969955 433360747 /nfs/dbraw/zinc/36/07/47/433360747.db2.gz DGAOVQDAVZNEFA-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)CCOc1ccccc1C ZINC000420969955 433360755 /nfs/dbraw/zinc/36/07/55/433360755.db2.gz DGAOVQDAVZNEFA-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000361732862 433360993 /nfs/dbraw/zinc/36/09/93/433360993.db2.gz ATMXWIKKTOMXHU-WDSOQIARSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000281741742 433367695 /nfs/dbraw/zinc/36/76/95/433367695.db2.gz VMXSWBNLNKYXAG-KSZLIROESA-N 2 1 324.472 3.465 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414063802 433369286 /nfs/dbraw/zinc/36/92/86/433369286.db2.gz MVTXGELBGTXISI-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414063802 433369293 /nfs/dbraw/zinc/36/92/93/433369293.db2.gz MVTXGELBGTXISI-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000361743495 433371294 /nfs/dbraw/zinc/37/12/94/433371294.db2.gz HJZYXJFUVWAQNK-JYBIWHBTSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000361743495 433371298 /nfs/dbraw/zinc/37/12/98/433371298.db2.gz HJZYXJFUVWAQNK-JYBIWHBTSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000414070638 433374597 /nfs/dbraw/zinc/37/45/97/433374597.db2.gz CMMJUKZFMZEQDM-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000414070635 433375253 /nfs/dbraw/zinc/37/52/53/433375253.db2.gz CMMJUKZFMZEQDM-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000420931014 433327661 /nfs/dbraw/zinc/32/76/61/433327661.db2.gz CZISMZDQTUYSRK-FXAWDEMLSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nc(C)[nH+]1 ZINC000339002118 433331611 /nfs/dbraw/zinc/33/16/11/433331611.db2.gz WXWXIVRCDZARON-HNNXBMFYSA-N 2 1 324.472 3.937 20 0 DGADMP Cc1cc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nc(C)[nH+]1 ZINC000339002118 433331620 /nfs/dbraw/zinc/33/16/20/433331620.db2.gz WXWXIVRCDZARON-HNNXBMFYSA-N 2 1 324.472 3.937 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361671666 433334932 /nfs/dbraw/zinc/33/49/32/433334932.db2.gz VCRHGLOMGOWQLN-IDHHARJASA-N 2 1 302.462 3.045 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000341885468 433335656 /nfs/dbraw/zinc/33/56/56/433335656.db2.gz AOTBKQJCGVVANA-YESZJQIVSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000341885468 433335659 /nfs/dbraw/zinc/33/56/59/433335659.db2.gz AOTBKQJCGVVANA-YESZJQIVSA-N 2 1 304.478 3.432 20 0 DGADMP CC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000361678688 433336825 /nfs/dbraw/zinc/33/68/25/433336825.db2.gz QFDFEMZEKAHCDD-OALUTQOASA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)COC1 ZINC000361678688 433336840 /nfs/dbraw/zinc/33/68/40/433336840.db2.gz QFDFEMZEKAHCDD-OALUTQOASA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)COC1 ZINC000361678688 433336846 /nfs/dbraw/zinc/33/68/46/433336846.db2.gz QFDFEMZEKAHCDD-OALUTQOASA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H](c1ccccn1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354876663 433336847 /nfs/dbraw/zinc/33/68/47/433336847.db2.gz MQJPVACOWXJZHE-INIZCTEOSA-N 2 1 310.445 3.386 20 0 DGADMP Cc1cnc([C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000354876660 433337941 /nfs/dbraw/zinc/33/79/41/433337941.db2.gz MOCXWMLMVBHWMH-OAHLLOKOSA-N 2 1 314.433 3.287 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339190215 433428670 /nfs/dbraw/zinc/42/86/70/433428670.db2.gz NEFLRSJKJQINPK-XSLAGTTESA-N 2 1 322.493 3.105 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000342039171 433431140 /nfs/dbraw/zinc/43/11/40/433431140.db2.gz FGAZZAZZPKRLLP-SJLPKXTDSA-N 2 1 312.461 3.397 20 0 DGADMP Cc1ccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)o1 ZINC000301154096 433431269 /nfs/dbraw/zinc/43/12/69/433431269.db2.gz QNBMWSGPBLNNRC-OAHLLOKOSA-N 2 1 300.406 3.244 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C2 ZINC000425935714 433378466 /nfs/dbraw/zinc/37/84/66/433378466.db2.gz FRTOUMFJZAGOCJ-QGZVFWFLSA-N 2 1 304.478 3.261 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000354967235 433383924 /nfs/dbraw/zinc/38/39/24/433383924.db2.gz NUAPFZJQUHBZNG-WSMBLCCSSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000354967235 433383933 /nfs/dbraw/zinc/38/39/33/433383933.db2.gz NUAPFZJQUHBZNG-WSMBLCCSSA-N 2 1 310.869 3.488 20 0 DGADMP CCc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000339141316 433386420 /nfs/dbraw/zinc/38/64/20/433386420.db2.gz SCEFBEMOQLNIQM-BGYRXZFFSA-N 2 1 321.468 3.208 20 0 DGADMP CCn1ccnc1[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000339147389 433396208 /nfs/dbraw/zinc/39/62/08/433396208.db2.gz DVIJXNGIHFTFBD-QGZVFWFLSA-N 2 1 315.465 3.415 20 0 DGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000339147389 433396217 /nfs/dbraw/zinc/39/62/17/433396217.db2.gz DVIJXNGIHFTFBD-QGZVFWFLSA-N 2 1 315.465 3.415 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000361878500 433433903 /nfs/dbraw/zinc/43/39/03/433433903.db2.gz BGEBKNIHBOWZNL-WIYYLYMNSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000361878500 433433909 /nfs/dbraw/zinc/43/39/09/433433909.db2.gz BGEBKNIHBOWZNL-WIYYLYMNSA-N 2 1 324.468 3.283 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000414174980 433440486 /nfs/dbraw/zinc/44/04/86/433440486.db2.gz HWGKIVVDFJVZLP-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000414176464 433440559 /nfs/dbraw/zinc/44/05/59/433440559.db2.gz IESVIQMRUYMHTL-YLJYHZDGSA-N 2 1 324.472 3.082 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000414179100 433445920 /nfs/dbraw/zinc/44/59/20/433445920.db2.gz LEPWEFIRXYJGTB-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000355077259 433451074 /nfs/dbraw/zinc/45/10/74/433451074.db2.gz FVWGFZQXXHLKKS-KRWDZBQOSA-N 2 1 315.505 3.449 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000355089029 433456193 /nfs/dbraw/zinc/45/61/93/433456193.db2.gz IAZHBWYBYISSBQ-ZFWWWQNUSA-N 2 1 305.853 3.497 20 0 DGADMP CCOc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000292084873 433457664 /nfs/dbraw/zinc/45/76/64/433457664.db2.gz GBDQZQLDMICNDT-LJQANCHMSA-N 2 1 318.461 3.012 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000414202906 433458506 /nfs/dbraw/zinc/45/85/06/433458506.db2.gz ZLVUKBGFSMHANM-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783532 290052145 /nfs/dbraw/zinc/05/21/45/290052145.db2.gz ZZWYPPJIVIECAW-GLJUWKHASA-N 2 1 315.461 3.168 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783532 290052146 /nfs/dbraw/zinc/05/21/46/290052146.db2.gz ZZWYPPJIVIECAW-GLJUWKHASA-N 2 1 315.461 3.168 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@H]21 ZINC000342101390 433469121 /nfs/dbraw/zinc/46/91/21/433469121.db2.gz KOBDVDADEHHGOZ-JJRVBVJISA-N 2 1 315.848 3.447 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527739 290238516 /nfs/dbraw/zinc/23/85/16/290238516.db2.gz LGPPERULEVNBRP-VXGBXAGGSA-N 2 1 302.340 3.317 20 0 DGADMP CC(C)O[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292131854 433475071 /nfs/dbraw/zinc/47/50/71/433475071.db2.gz LIQGGXGPLFZGDH-MOPGFXCFSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292131854 433475075 /nfs/dbraw/zinc/47/50/75/433475075.db2.gz LIQGGXGPLFZGDH-MOPGFXCFSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292131854 433475086 /nfs/dbraw/zinc/47/50/86/433475086.db2.gz LIQGGXGPLFZGDH-MOPGFXCFSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292131867 433476642 /nfs/dbraw/zinc/47/66/42/433476642.db2.gz LIQGGXGPLFZGDH-RTBURBONSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292131867 433476653 /nfs/dbraw/zinc/47/66/53/433476653.db2.gz LIQGGXGPLFZGDH-RTBURBONSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)O[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292131867 433476664 /nfs/dbraw/zinc/47/66/64/433476664.db2.gz LIQGGXGPLFZGDH-RTBURBONSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(OC(F)F)c2)CC1 ZINC000375474279 433478513 /nfs/dbraw/zinc/47/85/13/433478513.db2.gz TZOMORKVVPWDEC-UHFFFAOYSA-N 2 1 310.388 3.348 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2C)[C@H](C)C1 ZINC000339267270 433480475 /nfs/dbraw/zinc/48/04/75/433480475.db2.gz ZLOHVBLOSYYHDD-RHSMWYFYSA-N 2 1 310.507 3.283 20 0 DGADMP CC[N@@H+](CC1CCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000342119800 433480597 /nfs/dbraw/zinc/48/05/97/433480597.db2.gz CTXYZQIHEAKSOD-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC000355138077 433483636 /nfs/dbraw/zinc/48/36/36/433483636.db2.gz SBBPSRJVWNJBQY-SJORKVTESA-N 2 1 301.478 3.059 20 0 DGADMP Cc1ccc(Br)c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414246292 433484123 /nfs/dbraw/zinc/48/41/23/433484123.db2.gz BIMQIOJBUBRSCW-GJZGRUSLSA-N 2 1 323.278 3.474 20 0 DGADMP CCCC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443295 433512206 /nfs/dbraw/zinc/51/22/06/433512206.db2.gz MPEUMZVZMAYENY-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443295 433512214 /nfs/dbraw/zinc/51/22/14/433512214.db2.gz MPEUMZVZMAYENY-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443295 433512220 /nfs/dbraw/zinc/51/22/20/433512220.db2.gz MPEUMZVZMAYENY-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443295 433512224 /nfs/dbraw/zinc/51/22/24/433512224.db2.gz MPEUMZVZMAYENY-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000351443295 433512233 /nfs/dbraw/zinc/51/22/33/433512233.db2.gz MPEUMZVZMAYENY-VQIMIIECSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375645422 433517597 /nfs/dbraw/zinc/51/75/97/433517597.db2.gz SAZDBCPPGDCOAL-WOJBJXKFSA-N 2 1 321.553 3.471 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477531 433524257 /nfs/dbraw/zinc/52/42/57/433524257.db2.gz NLCKMWDPAOSOMU-GHTZIAJQSA-N 2 1 324.468 3.432 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477531 433524264 /nfs/dbraw/zinc/52/42/64/433524264.db2.gz NLCKMWDPAOSOMU-GHTZIAJQSA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477531 433524273 /nfs/dbraw/zinc/52/42/73/433524273.db2.gz NLCKMWDPAOSOMU-GHTZIAJQSA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477531 433524281 /nfs/dbraw/zinc/52/42/81/433524281.db2.gz NLCKMWDPAOSOMU-GHTZIAJQSA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000342186373 433524381 /nfs/dbraw/zinc/52/43/81/433524381.db2.gz VAMHJMUBSGUAPB-UHFFFAOYSA-N 2 1 305.447 3.177 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000421377934 433525735 /nfs/dbraw/zinc/52/57/35/433525735.db2.gz SKRJIHXRIWCFBR-HKUYNNGSSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000421377934 433525743 /nfs/dbraw/zinc/52/57/43/433525743.db2.gz SKRJIHXRIWCFBR-HKUYNNGSSA-N 2 1 316.489 3.324 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]12 ZINC000351488287 433529075 /nfs/dbraw/zinc/52/90/75/433529075.db2.gz FCFBMUKAVZGDDH-ZTFGCOKTSA-N 2 1 309.413 3.043 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282236383 433538285 /nfs/dbraw/zinc/53/82/85/433538285.db2.gz IVSWAKUOQPVKQO-SJLPKXTDSA-N 2 1 315.505 3.159 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000351355662 433486615 /nfs/dbraw/zinc/48/66/15/433486615.db2.gz ZWKJOESCWZGGDE-IBGZPJMESA-N 2 1 304.478 3.400 20 0 DGADMP CC[NH+](CC)CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000351355662 433486627 /nfs/dbraw/zinc/48/66/27/433486627.db2.gz ZWKJOESCWZGGDE-IBGZPJMESA-N 2 1 304.478 3.400 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342135859 433492956 /nfs/dbraw/zinc/49/29/56/433492956.db2.gz QKCYMTHTVARKKO-CFVMTHIKSA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342135859 433492968 /nfs/dbraw/zinc/49/29/68/433492968.db2.gz QKCYMTHTVARKKO-CFVMTHIKSA-N 2 1 317.458 3.271 20 0 DGADMP C[N@H+](C[C@H](O)CN[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526448 433551173 /nfs/dbraw/zinc/55/11/73/433551173.db2.gz WXEPUJMKGRXYLM-NHCUHLMSSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@H](O)CN[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526448 433551182 /nfs/dbraw/zinc/55/11/82/433551182.db2.gz WXEPUJMKGRXYLM-NHCUHLMSSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526448 433551190 /nfs/dbraw/zinc/55/11/90/433551190.db2.gz WXEPUJMKGRXYLM-NHCUHLMSSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526448 433551198 /nfs/dbraw/zinc/55/11/98/433551198.db2.gz WXEPUJMKGRXYLM-NHCUHLMSSA-N 2 1 324.468 3.015 20 0 DGADMP Cc1cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nc(C)n1 ZINC000301451160 433560533 /nfs/dbraw/zinc/56/05/33/433560533.db2.gz QFCNAGHMYAIDAH-INIZCTEOSA-N 2 1 310.445 3.194 20 0 DGADMP CCC[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000339405431 433561219 /nfs/dbraw/zinc/56/12/19/433561219.db2.gz CHTWHKPSLSENQH-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000339416243 433566731 /nfs/dbraw/zinc/56/67/31/433566731.db2.gz ZHQNDYDJWHHAQI-UFYCRDLUSA-N 2 1 316.489 3.085 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000339428144 433574728 /nfs/dbraw/zinc/57/47/28/433574728.db2.gz MZVYIKRTVDKUFR-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428144 433574737 /nfs/dbraw/zinc/57/47/37/433574737.db2.gz MZVYIKRTVDKUFR-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428144 433574742 /nfs/dbraw/zinc/57/47/42/433574742.db2.gz MZVYIKRTVDKUFR-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428144 433574750 /nfs/dbraw/zinc/57/47/50/433574750.db2.gz MZVYIKRTVDKUFR-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428144 433574756 /nfs/dbraw/zinc/57/47/56/433574756.db2.gz MZVYIKRTVDKUFR-MOPGFXCFSA-N 2 1 302.462 3.182 20 0 DGADMP CC(C)Oc1ccccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428749 433575767 /nfs/dbraw/zinc/57/57/67/433575767.db2.gz MGJPMAUSEKSCJX-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428749 433575775 /nfs/dbraw/zinc/57/57/75/433575775.db2.gz MGJPMAUSEKSCJX-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428749 433575781 /nfs/dbraw/zinc/57/57/81/433575781.db2.gz MGJPMAUSEKSCJX-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428749 433575792 /nfs/dbraw/zinc/57/57/92/433575792.db2.gz MGJPMAUSEKSCJX-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCO ZINC000282366953 433580984 /nfs/dbraw/zinc/58/09/84/433580984.db2.gz BUDURULODFXZEM-LJQANCHMSA-N 2 1 318.505 3.429 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCCO ZINC000282366953 433580992 /nfs/dbraw/zinc/58/09/92/433580992.db2.gz BUDURULODFXZEM-LJQANCHMSA-N 2 1 318.505 3.429 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429635 433581724 /nfs/dbraw/zinc/58/17/24/433581724.db2.gz YHIJYSYVLQBJPZ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429635 433581731 /nfs/dbraw/zinc/58/17/31/433581731.db2.gz YHIJYSYVLQBJPZ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429635 433581739 /nfs/dbraw/zinc/58/17/39/433581739.db2.gz YHIJYSYVLQBJPZ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429635 433581747 /nfs/dbraw/zinc/58/17/47/433581747.db2.gz YHIJYSYVLQBJPZ-KRWDZBQOSA-N 2 1 308.853 3.137 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414322700 433542509 /nfs/dbraw/zinc/54/25/09/433542509.db2.gz FWLNERRWGKSRRA-JZXOWHBKSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414322700 433542514 /nfs/dbraw/zinc/54/25/14/433542514.db2.gz FWLNERRWGKSRRA-JZXOWHBKSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C(C)C)C3CC3)CC2)nc(C)[nH+]1 ZINC000162312215 292851278 /nfs/dbraw/zinc/85/12/78/292851278.db2.gz YFONUBUPSYYVIY-SFHVURJKSA-N 2 1 302.466 3.086 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000375999137 433637339 /nfs/dbraw/zinc/63/73/39/433637339.db2.gz JPUSPWLJRVNDFQ-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1csc(Cl)c1 ZINC000282415403 433602677 /nfs/dbraw/zinc/60/26/77/433602677.db2.gz SJAULOXHVROQAH-LBPRGKRZSA-N 2 1 315.914 3.078 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CCC[NH+](C)C1 ZINC000351600307 433605324 /nfs/dbraw/zinc/60/53/24/433605324.db2.gz DAIHEIHLEORSGV-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CCC[N@H+](C)C1 ZINC000351600307 433605327 /nfs/dbraw/zinc/60/53/27/433605327.db2.gz DAIHEIHLEORSGV-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351600307 433605336 /nfs/dbraw/zinc/60/53/36/433605336.db2.gz DAIHEIHLEORSGV-MRXNPFEDSA-N 2 1 302.462 3.174 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293104942 433612567 /nfs/dbraw/zinc/61/25/67/433612567.db2.gz XZPHYUGDAZCKIK-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293104942 433612577 /nfs/dbraw/zinc/61/25/77/433612577.db2.gz XZPHYUGDAZCKIK-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293104942 433612585 /nfs/dbraw/zinc/61/25/85/433612585.db2.gz XZPHYUGDAZCKIK-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293104942 433612591 /nfs/dbraw/zinc/61/25/91/433612591.db2.gz XZPHYUGDAZCKIK-IBGZPJMESA-N 2 1 301.478 3.431 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)o1 ZINC000427107837 433653542 /nfs/dbraw/zinc/65/35/42/433653542.db2.gz APUNRFZHFRJDGD-GUYCJALGSA-N 2 1 300.377 3.270 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)o1 ZINC000427107837 433653554 /nfs/dbraw/zinc/65/35/54/433653554.db2.gz APUNRFZHFRJDGD-GUYCJALGSA-N 2 1 300.377 3.270 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(OC2CCCC2)c1 ZINC000427132674 433655934 /nfs/dbraw/zinc/65/59/34/433655934.db2.gz GAHCWSCNPBKAEM-LPHOPBHVSA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(OC2CCCC2)c1 ZINC000427132674 433655944 /nfs/dbraw/zinc/65/59/44/433655944.db2.gz GAHCWSCNPBKAEM-LPHOPBHVSA-N 2 1 300.446 3.192 20 0 DGADMP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000301670881 433664429 /nfs/dbraw/zinc/66/44/29/433664429.db2.gz NUWHKVLPNBLNOA-HNNXBMFYSA-N 2 1 313.445 3.472 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000362385981 433675900 /nfs/dbraw/zinc/67/59/00/433675900.db2.gz MQVVDDQSJOMPCB-IRXDYDNUSA-N 2 1 302.462 3.216 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704459 433676379 /nfs/dbraw/zinc/67/63/79/433676379.db2.gz YYSJXHJBGLAVNO-RDJZCZTQSA-N 2 1 317.477 3.175 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704459 433676386 /nfs/dbraw/zinc/67/63/86/433676386.db2.gz YYSJXHJBGLAVNO-RDJZCZTQSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704459 433676414 /nfs/dbraw/zinc/67/64/14/433676414.db2.gz YYSJXHJBGLAVNO-RDJZCZTQSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704459 433676420 /nfs/dbraw/zinc/67/64/20/433676420.db2.gz YYSJXHJBGLAVNO-RDJZCZTQSA-N 2 1 317.477 3.175 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025719 433680063 /nfs/dbraw/zinc/68/00/63/433680063.db2.gz CMAQWVGDSPMZNN-YJBOKZPZSA-N 2 1 304.482 3.160 20 0 DGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1F ZINC000342420378 433682783 /nfs/dbraw/zinc/68/27/83/433682783.db2.gz KUQJETQHZNLQJR-AWEZNQCLSA-N 2 1 317.408 3.012 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(-c4ccco4)on3)C2)CC1 ZINC000366903571 293002825 /nfs/dbraw/zinc/00/28/25/293002825.db2.gz PJCHMJJSNMYECP-UHFFFAOYSA-N 2 1 315.417 3.242 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966290 293009250 /nfs/dbraw/zinc/00/92/50/293009250.db2.gz MTHIQJCBVLGMJX-LZLYRXPVSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnn1-c1ccccc1 ZINC000366966290 293009251 /nfs/dbraw/zinc/00/92/51/293009251.db2.gz MTHIQJCBVLGMJX-LZLYRXPVSA-N 2 1 310.445 3.150 20 0 DGADMP CCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000293188294 433651880 /nfs/dbraw/zinc/65/18/80/433651880.db2.gz WKSMEFDICNAASC-YOFSQIOKSA-N 2 1 316.489 3.323 20 0 DGADMP CCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000293188294 433651892 /nfs/dbraw/zinc/65/18/92/433651892.db2.gz WKSMEFDICNAASC-YOFSQIOKSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)n1 ZINC000367080603 293022310 /nfs/dbraw/zinc/02/23/10/293022310.db2.gz MKZSUTYGABGPIQ-YQQQUEKLSA-N 2 1 324.472 3.014 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n(C)n1 ZINC000367080603 293022313 /nfs/dbraw/zinc/02/23/13/293022313.db2.gz MKZSUTYGABGPIQ-YQQQUEKLSA-N 2 1 324.472 3.014 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)n1 ZINC000367080603 293022317 /nfs/dbraw/zinc/02/23/17/293022317.db2.gz MKZSUTYGABGPIQ-YQQQUEKLSA-N 2 1 324.472 3.014 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000367084576 293022960 /nfs/dbraw/zinc/02/29/60/293022960.db2.gz BEXUMJVMTAZNRV-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000367084576 293022963 /nfs/dbraw/zinc/02/29/63/293022963.db2.gz BEXUMJVMTAZNRV-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000370166048 293160038 /nfs/dbraw/zinc/16/00/38/293160038.db2.gz AXRRIURPWXOQLX-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370166048 293160041 /nfs/dbraw/zinc/16/00/41/293160041.db2.gz AXRRIURPWXOQLX-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP CC(C)(O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370166048 293160044 /nfs/dbraw/zinc/16/00/44/293160044.db2.gz AXRRIURPWXOQLX-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000373372266 293267251 /nfs/dbraw/zinc/26/72/51/293267251.db2.gz DPPXLDAMGGMVQO-NLWGTHIKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000373372266 293267255 /nfs/dbraw/zinc/26/72/55/293267255.db2.gz DPPXLDAMGGMVQO-NLWGTHIKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000373372266 293267256 /nfs/dbraw/zinc/26/72/56/293267256.db2.gz DPPXLDAMGGMVQO-NLWGTHIKSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000373372266 293267260 /nfs/dbraw/zinc/26/72/60/293267260.db2.gz DPPXLDAMGGMVQO-NLWGTHIKSA-N 2 1 316.489 3.306 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCS2 ZINC000373636988 293300180 /nfs/dbraw/zinc/30/01/80/293300180.db2.gz GSHXVYUUZKKETM-JJRVBVJISA-N 2 1 318.486 3.449 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000373636988 293300181 /nfs/dbraw/zinc/30/01/81/293300181.db2.gz GSHXVYUUZKKETM-JJRVBVJISA-N 2 1 318.486 3.449 20 0 DGADMP Cc1ccnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000339664329 433714497 /nfs/dbraw/zinc/71/44/97/433714497.db2.gz ZNSWXATYQJIORC-QGZVFWFLSA-N 2 1 316.493 3.262 20 0 DGADMP Cc1ccnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000339664329 433714507 /nfs/dbraw/zinc/71/45/07/433714507.db2.gz ZNSWXATYQJIORC-QGZVFWFLSA-N 2 1 316.493 3.262 20 0 DGADMP CC[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301768511 433715977 /nfs/dbraw/zinc/71/59/77/433715977.db2.gz DWCRWVNYOCSTOZ-UHFFFAOYSA-N 2 1 309.335 3.396 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356842416 433726774 /nfs/dbraw/zinc/72/67/74/433726774.db2.gz GMCLZXBFLWEZDV-VQIMIIECSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]1C[C@H](CC[NH+]2CCC([N@@H+](C)CCCO)CC2)C[C@@H](C)C1 ZINC000362485088 433729310 /nfs/dbraw/zinc/72/93/10/433729310.db2.gz NOJWWDCORMORGB-PIIMJCKOSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000356854563 433729922 /nfs/dbraw/zinc/72/99/22/433729922.db2.gz UITDPKFWSJBSCY-LFGUQSLTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000356854563 433729933 /nfs/dbraw/zinc/72/99/33/433729933.db2.gz UITDPKFWSJBSCY-LFGUQSLTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233741 433734866 /nfs/dbraw/zinc/73/48/66/433734866.db2.gz MVEMBDOWEVIURP-BBWFWOEESA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[NH+]1CCCC1 ZINC000421820301 433743326 /nfs/dbraw/zinc/74/33/26/433743326.db2.gz LUVYDPZEXVGVLL-HKUYNNGSSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC000356881259 433743591 /nfs/dbraw/zinc/74/35/91/433743591.db2.gz UUZQBEMEIRUTQC-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000351851260 433753064 /nfs/dbraw/zinc/75/30/64/433753064.db2.gz KVZCOKCJYXLWCY-WBVHZDCISA-N 2 1 320.440 3.170 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000356901472 433755607 /nfs/dbraw/zinc/75/56/07/433755607.db2.gz PPPGQTJZRICGJI-YESZJQIVSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000356901472 433755616 /nfs/dbraw/zinc/75/56/16/433755616.db2.gz PPPGQTJZRICGJI-YESZJQIVSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000351857774 433756727 /nfs/dbraw/zinc/75/67/27/433756727.db2.gz YLIZIOAKZBOWPG-CRAIPNDOSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000351862477 433759728 /nfs/dbraw/zinc/75/97/28/433759728.db2.gz PJZCAUXNFOFFPL-QFBILLFUSA-N 2 1 310.441 3.435 20 0 DGADMP C[NH2+]Cc1noc(-c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000414639780 433766945 /nfs/dbraw/zinc/76/69/45/433766945.db2.gz HBNBANJMNGYVQD-UHFFFAOYSA-N 2 1 322.412 3.088 20 0 DGADMP C[NH2+]Cc1noc(-c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1 ZINC000414639780 433766958 /nfs/dbraw/zinc/76/69/58/433766958.db2.gz HBNBANJMNGYVQD-UHFFFAOYSA-N 2 1 322.412 3.088 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000414652608 433768926 /nfs/dbraw/zinc/76/89/26/433768926.db2.gz DNHQTUWRFCMFNV-GHMZBOCLSA-N 2 1 317.296 3.378 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000414652608 433768931 /nfs/dbraw/zinc/76/89/31/433768931.db2.gz DNHQTUWRFCMFNV-GHMZBOCLSA-N 2 1 317.296 3.378 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000414653068 433769522 /nfs/dbraw/zinc/76/95/22/433769522.db2.gz AMNDNEONKODSPS-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414775030 433822992 /nfs/dbraw/zinc/82/29/92/433822992.db2.gz ZBUDRXLXUJFPOB-OKILXGFUSA-N 2 1 312.379 3.445 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)o1 ZINC000414768944 433823956 /nfs/dbraw/zinc/82/39/56/433823956.db2.gz MTVCBBHCAKQVSL-OKILXGFUSA-N 2 1 317.458 3.143 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000421853896 433774876 /nfs/dbraw/zinc/77/48/76/433774876.db2.gz KLZUEWZSWFIMCE-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP CCCc1nccn1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283779746 433775614 /nfs/dbraw/zinc/77/56/14/433775614.db2.gz DDFDSHNRGCRCQX-SFHVURJKSA-N 2 1 313.445 3.127 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095206 433775790 /nfs/dbraw/zinc/77/57/90/433775790.db2.gz ILKOFLZBNUZLMI-SJLPKXTDSA-N 2 1 322.880 3.010 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449778732 433786838 /nfs/dbraw/zinc/78/68/38/433786838.db2.gz CAXFBRRVMIPNTJ-AWEZNQCLSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449778732 433786845 /nfs/dbraw/zinc/78/68/45/433786845.db2.gz CAXFBRRVMIPNTJ-AWEZNQCLSA-N 2 1 321.440 3.007 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414684643 433788274 /nfs/dbraw/zinc/78/82/74/433788274.db2.gz WMLGOEKDDIBRCZ-OWCLPIDISA-N 2 1 308.491 3.117 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414685573 433793651 /nfs/dbraw/zinc/79/36/51/433793651.db2.gz ZVBXYJQKTIBYMD-RKVPGOIHSA-N 2 1 318.461 3.229 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000430719478 433795700 /nfs/dbraw/zinc/79/57/00/433795700.db2.gz FLZDRKNJFJQNBE-IPMKNSEASA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1cc(Br)cs1)C[NH+](C)C ZINC000293606723 433799146 /nfs/dbraw/zinc/79/91/46/433799146.db2.gz IZVQJAFAUQVDAN-ZJUUUORDSA-N 2 1 305.285 3.359 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC[NH2+]1 ZINC000414710399 433805349 /nfs/dbraw/zinc/80/53/49/433805349.db2.gz QVIMTDQDNXCUHL-KEYYUXOJSA-N 2 1 308.853 3.181 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCS2 ZINC000343464575 433810331 /nfs/dbraw/zinc/81/03/31/433810331.db2.gz OSGAFPGEHRIDRY-DVOMOZLQSA-N 2 1 306.475 3.304 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCS2 ZINC000343464575 433810333 /nfs/dbraw/zinc/81/03/33/433810333.db2.gz OSGAFPGEHRIDRY-DVOMOZLQSA-N 2 1 306.475 3.304 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000293640161 433810977 /nfs/dbraw/zinc/81/09/77/433810977.db2.gz JRBCBODXDFOTSE-UHFFFAOYSA-N 2 1 319.493 3.166 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC[NH2+]1 ZINC000414732459 433813390 /nfs/dbraw/zinc/81/33/90/433813390.db2.gz BSAJSRGHNLENAI-NVXWUHKLSA-N 2 1 320.452 3.195 20 0 DGADMP COCC[N@@H+](CCC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414742537 433813506 /nfs/dbraw/zinc/81/35/06/433813506.db2.gz ICBWOMPGQGNPAA-GFCCVEGCSA-N 2 1 304.356 3.064 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000351968180 433825463 /nfs/dbraw/zinc/82/54/63/433825463.db2.gz PBZIFCUTWBQLCW-MRXNPFEDSA-N 2 1 321.490 3.383 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774054 433827179 /nfs/dbraw/zinc/82/71/79/433827179.db2.gz FDAHNNJQDSNEBR-ZWKOTPCHSA-N 2 1 302.462 3.295 20 0 DGADMP CCC[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284057514 433828049 /nfs/dbraw/zinc/82/80/49/433828049.db2.gz KOVBOKPZMRSPJF-CTWPCTMYSA-N 2 1 304.478 3.180 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000414778562 433828449 /nfs/dbraw/zinc/82/84/49/433828449.db2.gz JBVWBXMECSTLRI-ZWKOTPCHSA-N 2 1 302.462 3.134 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980480 433831942 /nfs/dbraw/zinc/83/19/42/433831942.db2.gz CMZYPMORWFSLLA-HIFRSBDPSA-N 2 1 316.420 3.085 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000351980480 433831947 /nfs/dbraw/zinc/83/19/47/433831947.db2.gz CMZYPMORWFSLLA-HIFRSBDPSA-N 2 1 316.420 3.085 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414786255 433833284 /nfs/dbraw/zinc/83/32/84/433833284.db2.gz UJAFVCBRKIZOJU-UONOGXRCSA-N 2 1 307.507 3.262 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC12CCOCC2 ZINC000414788962 433834079 /nfs/dbraw/zinc/83/40/79/433834079.db2.gz XNNIXSPSSYXCAT-OAHLLOKOSA-N 2 1 316.470 3.089 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000284113245 433836551 /nfs/dbraw/zinc/83/65/51/433836551.db2.gz NKHNWTQHPLIIAY-LJQANCHMSA-N 2 1 300.446 3.107 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414788104 433836835 /nfs/dbraw/zinc/83/68/35/433836835.db2.gz WGBXWJMBBVSYAH-HUUCEWRRSA-N 2 1 310.388 3.110 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789985 433837983 /nfs/dbraw/zinc/83/79/83/433837983.db2.gz ZDUVSQDETBOPFM-OALUTQOASA-N 2 1 314.473 3.297 20 0 DGADMP CO[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000293713432 433838913 /nfs/dbraw/zinc/83/89/13/433838913.db2.gz MYRGVNHTWFHSMK-MHJFOBGBSA-N 2 1 316.489 3.444 20 0 DGADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414790520 433839779 /nfs/dbraw/zinc/83/97/79/433839779.db2.gz ZZICNPPMKVBLIX-IAGOWNOFSA-N 2 1 311.429 3.163 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2O1 ZINC000414789721 433841244 /nfs/dbraw/zinc/84/12/44/433841244.db2.gz YOCBWUVJLMNART-SJORKVTESA-N 2 1 314.473 3.222 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414802076 433843412 /nfs/dbraw/zinc/84/34/12/433843412.db2.gz JYRZZECAPGDZOF-UHFFFAOYSA-N 2 1 313.445 3.268 20 0 DGADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000293728736 433845526 /nfs/dbraw/zinc/84/55/26/433845526.db2.gz OFFHOQQXRRTWQO-YRPNKDGESA-N 2 1 314.473 3.197 20 0 DGADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414808149 433849769 /nfs/dbraw/zinc/84/97/69/433849769.db2.gz KJQJAOOSKNODKM-AEFFLSMTSA-N 2 1 303.494 3.147 20 0 DGADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000357083348 433855485 /nfs/dbraw/zinc/85/54/85/433855485.db2.gz YMIOMFGVFJQFCW-OAHLLOKOSA-N 2 1 316.367 3.208 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2ncc(C)o2)CC1)CC1CC1 ZINC000357082923 433856028 /nfs/dbraw/zinc/85/60/28/433856028.db2.gz KDGRXEUIMLSNSO-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C)o2)CC1)CC1CC1 ZINC000357082923 433856041 /nfs/dbraw/zinc/85/60/41/433856041.db2.gz KDGRXEUIMLSNSO-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000357083347 433857623 /nfs/dbraw/zinc/85/76/23/433857623.db2.gz YMIOMFGVFJQFCW-HNNXBMFYSA-N 2 1 316.367 3.208 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000344292735 433859275 /nfs/dbraw/zinc/85/92/75/433859275.db2.gz GJEAWMULPXGEBB-USJZOSNVSA-N 2 1 322.399 3.011 20 0 DGADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357106419 433865651 /nfs/dbraw/zinc/86/56/51/433865651.db2.gz BUURSEWLJXHCJQ-BBWFWOEESA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833364 433866725 /nfs/dbraw/zinc/86/67/25/433866725.db2.gz ANHHPGMCYYHNQY-IEBWSBKVSA-N 2 1 315.505 3.291 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414831529 433867520 /nfs/dbraw/zinc/86/75/20/433867520.db2.gz CJCSVSYNDPOOML-WFASDCNBSA-N 2 1 311.857 3.020 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C2 ZINC000414834632 433871096 /nfs/dbraw/zinc/87/10/96/433871096.db2.gz GTQNOBFJAMRUNR-WMZOPIPTSA-N 2 1 302.462 3.050 20 0 DGADMP CCCCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000414877427 433901665 /nfs/dbraw/zinc/90/16/65/433901665.db2.gz MXBQVMWQPYMLDE-UHFFFAOYSA-N 2 1 306.450 3.235 20 0 DGADMP [NH3+][C@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)C1CC1 ZINC000414899238 433905750 /nfs/dbraw/zinc/90/57/50/433905750.db2.gz ULNVOJGMCHMUSB-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP Cc1cnn(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000377540264 433907849 /nfs/dbraw/zinc/90/78/49/433907849.db2.gz INBYCECRBKYXSE-KRWDZBQOSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414905130 433908072 /nfs/dbraw/zinc/90/80/72/433908072.db2.gz MYQCSXRAXNBZOP-MRXNPFEDSA-N 2 1 318.852 3.066 20 0 DGADMP C[C@]1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCC[NH2+]C1 ZINC000414905165 433909403 /nfs/dbraw/zinc/90/94/03/433909403.db2.gz OBKOVHUDIUNNML-KRWDZBQOSA-N 2 1 318.852 3.005 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436256162 433917274 /nfs/dbraw/zinc/91/72/74/433917274.db2.gz YPXGVPCUNGMTPJ-UHFFFAOYSA-N 2 1 315.446 3.213 20 0 DGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OCC(C)C ZINC000414928292 433919988 /nfs/dbraw/zinc/91/99/88/433919988.db2.gz AOUICFXYQAOBQK-WBVHZDCISA-N 2 1 320.477 3.350 20 0 DGADMP COc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)sc2c1 ZINC000422561324 433920933 /nfs/dbraw/zinc/92/09/33/433920933.db2.gz KPWFMFXPFMYPAN-UPJWGTAASA-N 2 1 319.474 3.110 20 0 DGADMP COc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)sc2c1 ZINC000422561324 433920941 /nfs/dbraw/zinc/92/09/41/433920941.db2.gz KPWFMFXPFMYPAN-UPJWGTAASA-N 2 1 319.474 3.110 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@H]21 ZINC000303099681 433921465 /nfs/dbraw/zinc/92/14/65/433921465.db2.gz ZQAFDACJZXFONM-IPMKNSEASA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1C[NH3+] ZINC000422562420 433924575 /nfs/dbraw/zinc/92/45/75/433924575.db2.gz PZOATLOGYFWRGR-UMVBOHGHSA-N 2 1 312.404 3.136 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1SC ZINC000422563863 433924601 /nfs/dbraw/zinc/92/46/01/433924601.db2.gz UQAZOTFIPFTMKD-GUTXKFCHSA-N 2 1 308.491 3.222 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436276976 433924885 /nfs/dbraw/zinc/92/48/85/433924885.db2.gz WIHCZVVQIDJRMO-UHFFFAOYSA-N 2 1 304.463 3.102 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414944320 433929241 /nfs/dbraw/zinc/92/92/41/433929241.db2.gz GPMVMOCOXKQVJF-GDBMZVCRSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[NH2+]1 ZINC000414942415 433930815 /nfs/dbraw/zinc/93/08/15/433930815.db2.gz DJILQDJQSVPCRU-QFBILLFUSA-N 2 1 310.441 3.496 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CCCO1 ZINC000285381368 433931541 /nfs/dbraw/zinc/93/15/41/433931541.db2.gz AAGCJCDTDCDBAQ-FIMWJMCYSA-N 2 1 324.415 3.069 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623601 433931695 /nfs/dbraw/zinc/93/16/95/433931695.db2.gz FPOMDEYEBRIUPV-SXLOBPIMSA-N 2 1 319.537 3.079 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623604 433933991 /nfs/dbraw/zinc/93/39/91/433933991.db2.gz FPOMDEYEBRIUPV-YSIASYRMSA-N 2 1 319.537 3.079 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414850720 433882081 /nfs/dbraw/zinc/88/20/81/433882081.db2.gz IHQFDBICGKOZLL-GHMZBOCLSA-N 2 1 317.260 3.480 20 0 DGADMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414852713 433882238 /nfs/dbraw/zinc/88/22/38/433882238.db2.gz RIBGAGRMSWMYFO-MRXNPFEDSA-N 2 1 306.450 3.091 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)sc1Br ZINC000414853829 433882523 /nfs/dbraw/zinc/88/25/23/433882523.db2.gz TZMPHPACSZWSFE-SNVBAGLBSA-N 2 1 305.285 3.282 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000293827852 433884326 /nfs/dbraw/zinc/88/43/26/433884326.db2.gz DQHLVKKBFHMPFP-IAGOWNOFSA-N 2 1 304.478 3.425 20 0 DGADMP CC[NH2+]CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414852141 433884465 /nfs/dbraw/zinc/88/44/65/433884465.db2.gz VOOHQAOVTDDDFN-UHFFFAOYSA-N 2 1 304.384 3.296 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414852782 433884639 /nfs/dbraw/zinc/88/46/39/433884639.db2.gz RQEHCAHVGVRBGM-YJBOKZPZSA-N 2 1 317.477 3.209 20 0 DGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000414851522 433884676 /nfs/dbraw/zinc/88/46/76/433884676.db2.gz PBLHRSOUQQKUDV-INIZCTEOSA-N 2 1 306.450 3.091 20 0 DGADMP CCc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000340013377 433887320 /nfs/dbraw/zinc/88/73/20/433887320.db2.gz DXMGOQNNYYQYDW-UHFFFAOYSA-N 2 1 324.472 3.093 20 0 DGADMP C[NH2+]CCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414857940 433887326 /nfs/dbraw/zinc/88/73/26/433887326.db2.gz GSZDUPMBWNBUFD-UHFFFAOYSA-N 2 1 314.273 3.423 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000293836456 433888989 /nfs/dbraw/zinc/88/89/89/433888989.db2.gz XKLGRKRCRRFIBZ-UHIISALHSA-N 2 1 316.367 3.245 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000293836456 433889003 /nfs/dbraw/zinc/88/90/03/433889003.db2.gz XKLGRKRCRRFIBZ-UHIISALHSA-N 2 1 316.367 3.245 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OC)c(OC)c1 ZINC000285437189 433945920 /nfs/dbraw/zinc/94/59/20/433945920.db2.gz LCCMGHGCXZVNMJ-CVEARBPZSA-N 2 1 306.450 3.229 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422725609 433948621 /nfs/dbraw/zinc/94/86/21/433948621.db2.gz BZJSTZYONBBPBZ-RYQLBKOJSA-N 2 1 303.494 3.223 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000414976984 433950361 /nfs/dbraw/zinc/95/03/61/433950361.db2.gz JAUVKERSGUILCL-KRWDZBQOSA-N 2 1 314.429 3.101 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377684524 433953129 /nfs/dbraw/zinc/95/31/29/433953129.db2.gz XDQWMOXQUASXIR-HXUWFJFHSA-N 2 1 323.484 3.434 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422730636 433957605 /nfs/dbraw/zinc/95/76/05/433957605.db2.gz MKJWUCGJHKLRRM-RYRKJORJSA-N 2 1 303.494 3.094 20 0 DGADMP COc1cccc(OC)c1CNCCC[N@H+]1CCCC[C@@H]1C ZINC000352230471 433992566 /nfs/dbraw/zinc/99/25/66/433992566.db2.gz KNCAMGUFKUFINF-HNNXBMFYSA-N 2 1 306.450 3.058 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340183405 433963668 /nfs/dbraw/zinc/96/36/68/433963668.db2.gz FLYKVKATCXJXBF-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340183405 433963676 /nfs/dbraw/zinc/96/36/76/433963676.db2.gz FLYKVKATCXJXBF-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340183405 433963683 /nfs/dbraw/zinc/96/36/83/433963683.db2.gz FLYKVKATCXJXBF-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340180928 433964560 /nfs/dbraw/zinc/96/45/60/433964560.db2.gz HTNZNZFXSZQYHB-UYAOXDASSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422743574 433966206 /nfs/dbraw/zinc/96/62/06/433966206.db2.gz UGVHPHSSFSJBLQ-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422745397 433968128 /nfs/dbraw/zinc/96/81/28/433968128.db2.gz UZYPHAVLLWCGEM-LMCOJAPRSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743665 433968570 /nfs/dbraw/zinc/96/85/70/433968570.db2.gz IWGNLPDKJNGVAB-HLIPFELVSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422780208 433992760 /nfs/dbraw/zinc/99/27/60/433992760.db2.gz JXQMIEUDWMMQIZ-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000422780208 433992772 /nfs/dbraw/zinc/99/27/72/433992772.db2.gz JXQMIEUDWMMQIZ-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422761387 433984799 /nfs/dbraw/zinc/98/47/99/433984799.db2.gz HOPAWCBKMWZFKF-RBUKOAKNSA-N 2 1 312.461 3.239 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C[C@@H]1c1ccccc1 ZINC000340201728 433985624 /nfs/dbraw/zinc/98/56/24/433985624.db2.gz WJBSKTTYICLJAM-AZUAARDMSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C[C@@H]1c1ccccc1 ZINC000340201728 433985632 /nfs/dbraw/zinc/98/56/32/433985632.db2.gz WJBSKTTYICLJAM-AZUAARDMSA-N 2 1 310.441 3.360 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773982 433988886 /nfs/dbraw/zinc/98/88/86/433988886.db2.gz ZNNDHSRXCVYQML-SUMWQHHRSA-N 2 1 320.383 3.336 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2nccs2)C[C@@H]1c1ccccc1 ZINC000340215675 433990203 /nfs/dbraw/zinc/99/02/03/433990203.db2.gz WTYBSTZLJJJTGK-JKSUJKDBSA-N 2 1 301.459 3.111 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nccs2)C[C@@H]1c1ccccc1 ZINC000340215675 433990213 /nfs/dbraw/zinc/99/02/13/433990213.db2.gz WTYBSTZLJJJTGK-JKSUJKDBSA-N 2 1 301.459 3.111 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422781178 433991425 /nfs/dbraw/zinc/99/14/25/433991425.db2.gz DXRKBECFMQGKHA-RTBURBONSA-N 3 1 303.494 3.278 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377642885 433936756 /nfs/dbraw/zinc/93/67/56/433936756.db2.gz CMWXANYRVVYOLB-AZUAARDMSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414955239 433936748 /nfs/dbraw/zinc/93/67/48/433936748.db2.gz OBLYZUYENRFESS-GUTXKFCHSA-N 2 1 323.868 3.096 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377642891 433937399 /nfs/dbraw/zinc/93/73/99/433937399.db2.gz CMWXANYRVVYOLB-UYAOXDASSA-N 2 1 321.553 3.305 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414960700 433939000 /nfs/dbraw/zinc/93/90/00/433939000.db2.gz YHXMFEIKIVTORK-DOTOQJQBSA-N 2 1 320.477 3.494 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)s2)cs1 ZINC000422798457 434012517 /nfs/dbraw/zinc/01/25/17/434012517.db2.gz RDQHAOHTILGCIR-SMDDNHRTSA-N 2 1 321.515 3.453 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422800863 434016648 /nfs/dbraw/zinc/01/66/48/434016648.db2.gz DDBDAKNZHJJWQL-GJZGRUSLSA-N 2 1 316.367 3.377 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340257236 434020905 /nfs/dbraw/zinc/02/09/05/434020905.db2.gz TXTYTJSYVGLGPE-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340257236 434020914 /nfs/dbraw/zinc/02/09/14/434020914.db2.gz TXTYTJSYVGLGPE-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340257236 434020918 /nfs/dbraw/zinc/02/09/18/434020918.db2.gz TXTYTJSYVGLGPE-OALUTQOASA-N 2 1 303.494 3.143 20 0 DGADMP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000294162245 434022132 /nfs/dbraw/zinc/02/21/32/434022132.db2.gz ILJFKIIMJNIIKS-VQIMIIECSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841926 434046884 /nfs/dbraw/zinc/04/68/84/434046884.db2.gz XIEAYDDIBTVLFG-JQHSSLGASA-N 2 1 321.534 3.080 20 0 DGADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340272042 434024751 /nfs/dbraw/zinc/02/47/51/434024751.db2.gz HDSSTCYMKCEAHB-WOJBJXKFSA-N 2 1 315.505 3.284 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000340264923 434025480 /nfs/dbraw/zinc/02/54/80/434025480.db2.gz RKZZTQDPLFXHAB-NMLBUPMWSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000340264923 434025490 /nfs/dbraw/zinc/02/54/90/434025490.db2.gz RKZZTQDPLFXHAB-NMLBUPMWSA-N 2 1 316.489 3.353 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285646656 434026474 /nfs/dbraw/zinc/02/64/74/434026474.db2.gz YDFXEKNYXLDDMV-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP CCOc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285646656 434026488 /nfs/dbraw/zinc/02/64/88/434026488.db2.gz YDFXEKNYXLDDMV-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP CCOc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285646656 434026502 /nfs/dbraw/zinc/02/65/02/434026502.db2.gz YDFXEKNYXLDDMV-SJPCQFCGSA-N 2 1 318.461 3.021 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000352285195 434026828 /nfs/dbraw/zinc/02/68/28/434026828.db2.gz FAXRTAUUSMZSIJ-IXDOHACOSA-N 2 1 312.461 3.172 20 0 DGADMP C[C@H](CCN[C@H]1CCCCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816799 434027220 /nfs/dbraw/zinc/02/72/20/434027220.db2.gz BLVFKAGAVIFQQJ-NEWSRXKRSA-N 2 1 303.494 3.147 20 0 DGADMP C[C@H](CCN[C@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000422823167 434028843 /nfs/dbraw/zinc/02/88/43/434028843.db2.gz LIURXWHGKKCEBX-ZHALLVOQSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000422829563 434033370 /nfs/dbraw/zinc/03/33/70/434033370.db2.gz UUSHWXUQSZROQS-NFLHVTIKSA-N 2 1 315.280 3.444 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CC(C)C ZINC000422831392 434035351 /nfs/dbraw/zinc/03/53/51/434035351.db2.gz SOLWLDWIMMEKJA-MAUKXSAKSA-N 2 1 320.525 3.256 20 0 DGADMP CCOCc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422834273 434040617 /nfs/dbraw/zinc/04/06/17/434040617.db2.gz NPROWRHMRPBYGO-JXFKEZNVSA-N 2 1 312.457 3.271 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340299599 434045931 /nfs/dbraw/zinc/04/59/31/434045931.db2.gz HGBSUTZLZUHOIS-CGTJXYLNSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340299599 434045939 /nfs/dbraw/zinc/04/59/39/434045939.db2.gz HGBSUTZLZUHOIS-CGTJXYLNSA-N 2 1 304.478 3.209 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340221328 433993632 /nfs/dbraw/zinc/99/36/32/433993632.db2.gz HZENGSURYOPSSS-RTBURBONSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340221328 433993644 /nfs/dbraw/zinc/99/36/44/433993644.db2.gz HZENGSURYOPSSS-RTBURBONSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340221328 433993655 /nfs/dbraw/zinc/99/36/55/433993655.db2.gz HZENGSURYOPSSS-RTBURBONSA-N 2 1 303.494 3.142 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422784322 433999508 /nfs/dbraw/zinc/99/95/08/433999508.db2.gz NZHHTCPFCZCTRS-WCIQWLHISA-N 2 1 315.505 3.108 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340235578 434000060 /nfs/dbraw/zinc/00/00/60/434000060.db2.gz HJWBGRJOIZTMOH-VAMGGRTRSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235578 434000075 /nfs/dbraw/zinc/00/00/75/434000075.db2.gz HJWBGRJOIZTMOH-VAMGGRTRSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340235578 434000083 /nfs/dbraw/zinc/00/00/83/434000083.db2.gz HJWBGRJOIZTMOH-VAMGGRTRSA-N 2 1 315.505 3.286 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422858445 434061289 /nfs/dbraw/zinc/06/12/89/434061289.db2.gz IRHPKZSIIPTLIA-APWZRJJASA-N 3 1 303.494 3.134 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[NH2+]1 ZINC000414961387 293895558 /nfs/dbraw/zinc/89/55/58/293895558.db2.gz ZAISJDSXBUAATI-ONGXEEELSA-N 2 1 317.658 3.333 20 0 DGADMP Cc1cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000416242187 434066311 /nfs/dbraw/zinc/06/63/11/434066311.db2.gz RLFBWTNQUFBRAQ-KRWDZBQOSA-N 2 1 322.412 3.274 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422877436 434069835 /nfs/dbraw/zinc/06/98/35/434069835.db2.gz HSUPWTYCALNYAW-HZMZCJTDSA-N 2 1 301.478 3.087 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422878647 434076207 /nfs/dbraw/zinc/07/62/07/434076207.db2.gz JLAIKXJHMOLJLT-RTBURBONSA-N 3 1 301.478 3.233 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422878647 434076217 /nfs/dbraw/zinc/07/62/17/434076217.db2.gz JLAIKXJHMOLJLT-RTBURBONSA-N 2 1 301.478 3.233 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422878693 434077415 /nfs/dbraw/zinc/07/74/15/434077415.db2.gz JQRFKXSKHJMGDU-HZPDHXFCSA-N 3 1 318.509 3.154 20 0 DGADMP CC1=CC[NH+](CCN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360801 434084156 /nfs/dbraw/zinc/08/41/56/434084156.db2.gz UXIIOUWKYBBCMO-PMACEKPBSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@H+](CCN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360801 434084166 /nfs/dbraw/zinc/08/41/66/434084166.db2.gz UXIIOUWKYBBCMO-PMACEKPBSA-N 2 1 313.489 3.064 20 0 DGADMP CC1=CC[N@@H+](CCN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360801 434084176 /nfs/dbraw/zinc/08/41/76/434084176.db2.gz UXIIOUWKYBBCMO-PMACEKPBSA-N 2 1 313.489 3.064 20 0 DGADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422898972 434095235 /nfs/dbraw/zinc/09/52/35/434095235.db2.gz GJMSVPSPOOVGBQ-PMACEKPBSA-N 2 1 315.505 3.148 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309744330 434097278 /nfs/dbraw/zinc/09/72/78/434097278.db2.gz SXNZPXNEYGNYNT-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@H]1CCCCN1 ZINC000422841553 434048764 /nfs/dbraw/zinc/04/87/64/434048764.db2.gz WKFHLSSJSWTKAL-RTBURBONSA-N 2 1 309.542 3.255 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340307601 434048882 /nfs/dbraw/zinc/04/88/82/434048882.db2.gz HMXHZWBAGWGPON-WOJBJXKFSA-N 2 1 309.457 3.439 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340307601 434048893 /nfs/dbraw/zinc/04/88/93/434048893.db2.gz HMXHZWBAGWGPON-WOJBJXKFSA-N 2 1 309.457 3.439 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340307598 434053068 /nfs/dbraw/zinc/05/30/68/434053068.db2.gz HMXHZWBAGWGPON-PMACEKPBSA-N 2 1 309.457 3.439 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340307598 434053079 /nfs/dbraw/zinc/05/30/79/434053079.db2.gz HMXHZWBAGWGPON-PMACEKPBSA-N 2 1 309.457 3.439 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340316401 434055135 /nfs/dbraw/zinc/05/51/35/434055135.db2.gz RWGUMZDZBYGTDZ-YDZRNGNQSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340316401 434055141 /nfs/dbraw/zinc/05/51/41/434055141.db2.gz RWGUMZDZBYGTDZ-YDZRNGNQSA-N 2 1 302.462 3.369 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459418468 293974638 /nfs/dbraw/zinc/97/46/38/293974638.db2.gz AELMFMPROWTCQE-UHFFFAOYSA-N 2 1 302.462 3.189 20 0 DGADMP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310159009 434106820 /nfs/dbraw/zinc/10/68/20/434106820.db2.gz PIVKHJMIOUBECP-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310159009 434106825 /nfs/dbraw/zinc/10/68/25/434106825.db2.gz PIVKHJMIOUBECP-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310159009 434106828 /nfs/dbraw/zinc/10/68/28/434106828.db2.gz PIVKHJMIOUBECP-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310159009 434106831 /nfs/dbraw/zinc/10/68/31/434106831.db2.gz PIVKHJMIOUBECP-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP CCCCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310014008 434107312 /nfs/dbraw/zinc/10/73/12/434107312.db2.gz MKSZBOIPOYIGMP-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310014008 434107324 /nfs/dbraw/zinc/10/73/24/434107324.db2.gz MKSZBOIPOYIGMP-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310014008 434107336 /nfs/dbraw/zinc/10/73/36/434107336.db2.gz MKSZBOIPOYIGMP-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1nc(-c2ccncc2)cs1 ZINC000422913616 434107329 /nfs/dbraw/zinc/10/73/29/434107329.db2.gz QMOGSXWVLZYZPY-IPYPFGDCSA-N 2 1 316.474 3.244 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422915814 434109430 /nfs/dbraw/zinc/10/94/30/434109430.db2.gz ZDQXLHGKBJPVFE-QFBILLFUSA-N 3 1 303.494 3.005 20 0 DGADMP C[C@@H]([NH2+][C@H](COc1ccccc1F)c1ccccc1)C1C[NH2+]C1 ZINC000422933497 434116383 /nfs/dbraw/zinc/11/63/83/434116383.db2.gz HVXCCHQZAPBCTC-RDTXWAMCSA-N 2 1 314.404 3.143 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422909168 434101266 /nfs/dbraw/zinc/10/12/66/434101266.db2.gz FFORPBDIWHABFL-UHFFFAOYSA-N 3 1 303.494 3.134 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000341869775 294107401 /nfs/dbraw/zinc/10/74/01/294107401.db2.gz ABGPRKOCHXTISF-XSLAGTTESA-N 2 1 320.864 3.386 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000341869751 294107446 /nfs/dbraw/zinc/10/74/46/294107446.db2.gz ABGPRKOCHXTISF-BDXSIMOUSA-N 2 1 320.864 3.386 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000501895616 294153510 /nfs/dbraw/zinc/15/35/10/294153510.db2.gz AUNDUBVJQJWBIY-SFHVURJKSA-N 2 1 309.542 3.161 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000502254990 294160952 /nfs/dbraw/zinc/16/09/52/294160952.db2.gz XPOILHYFUPHUNH-MJGOQNOKSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000502254990 294160953 /nfs/dbraw/zinc/16/09/53/294160953.db2.gz XPOILHYFUPHUNH-MJGOQNOKSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000502254990 294160955 /nfs/dbraw/zinc/16/09/55/294160955.db2.gz XPOILHYFUPHUNH-MJGOQNOKSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@H](C)C1 ZINC000503891884 294203368 /nfs/dbraw/zinc/20/33/68/294203368.db2.gz KIOWWCFIOARPIA-IIVZCXTMSA-N 2 1 320.452 3.400 20 0 DGADMP C[C@@H](CC1CCOCC1)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000507723097 294308279 /nfs/dbraw/zinc/30/82/79/294308279.db2.gz DVXCVPWNFQRRMX-DBVUQKKJSA-N 2 1 316.489 3.114 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509937042 294369132 /nfs/dbraw/zinc/36/91/32/294369132.db2.gz BMXBHWZSUIYRJW-BBWFWOEESA-N 2 1 304.478 3.281 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510159766 294376409 /nfs/dbraw/zinc/37/64/09/294376409.db2.gz MQSXJNACRPRJSS-YYIAUSFCSA-N 2 1 304.478 3.279 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510159766 294376411 /nfs/dbraw/zinc/37/64/11/294376411.db2.gz MQSXJNACRPRJSS-YYIAUSFCSA-N 2 1 304.478 3.279 20 0 DGADMP C[C@@H]([NH2+]CCCOc1cccc2cccnc21)[C@@H]1CCCC[NH2+]1 ZINC000422952234 434134177 /nfs/dbraw/zinc/13/41/77/434134177.db2.gz ANBMJKLGIXHAPZ-WBVHZDCISA-N 2 1 313.445 3.124 20 0 DGADMP COc1cccc(CCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422947166 434135161 /nfs/dbraw/zinc/13/51/61/434135161.db2.gz PYFKWCAATPPHKT-OXJNMPFZSA-N 2 1 312.457 3.176 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422947501 434135366 /nfs/dbraw/zinc/13/53/66/434135366.db2.gz QITUDNRXGSSSCV-IINYFYTJSA-N 2 1 315.230 3.066 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000340463763 434141597 /nfs/dbraw/zinc/14/15/97/434141597.db2.gz COGMBOYSADCHMC-SJORKVTESA-N 2 1 306.498 3.008 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000340463763 434141608 /nfs/dbraw/zinc/14/16/08/434141608.db2.gz COGMBOYSADCHMC-SJORKVTESA-N 2 1 306.498 3.008 20 0 DGADMP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCCN1 ZINC000422968477 434144012 /nfs/dbraw/zinc/14/40/12/434144012.db2.gz RDKCAYRGMPMSAC-RGVPCPSESA-N 2 1 307.526 3.150 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC000314565945 434147440 /nfs/dbraw/zinc/14/74/40/434147440.db2.gz CAOGFXRYIOZUHJ-RDBSUJKOSA-N 2 1 310.404 3.052 20 0 DGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000422979880 434148232 /nfs/dbraw/zinc/14/82/32/434148232.db2.gz NTOAIMLGYPMNKD-QTXGHNMQSA-N 2 1 317.477 3.268 20 0 DGADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422973510 434148710 /nfs/dbraw/zinc/14/87/10/434148710.db2.gz BZBZAAJEJYIZOR-ZYSHUDEJSA-N 2 1 308.425 3.462 20 0 DGADMP CC(C)C[C@@H](C)Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000422979879 434149180 /nfs/dbraw/zinc/14/91/80/434149180.db2.gz NTOAIMLGYPMNKD-NAZJXLNTSA-N 2 1 317.477 3.268 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000340472253 434152850 /nfs/dbraw/zinc/15/28/50/434152850.db2.gz HNEHWDWYIQIFLM-YLJYHZDGSA-N 2 1 316.489 3.241 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccncc3F)CC2)[nH+]1 ZINC000340479049 434159647 /nfs/dbraw/zinc/15/96/47/434159647.db2.gz UPJRLEIDQOZYBI-CQSZACIVSA-N 2 1 314.408 3.244 20 0 DGADMP COC(=O)c1csc([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096139 434160615 /nfs/dbraw/zinc/16/06/15/434160615.db2.gz MYWAWZXUKLJGKR-UONOGXRCSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000286096139 434160620 /nfs/dbraw/zinc/16/06/20/434160620.db2.gz MYWAWZXUKLJGKR-UONOGXRCSA-N 2 1 324.490 3.306 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000286096139 434160627 /nfs/dbraw/zinc/16/06/27/434160627.db2.gz MYWAWZXUKLJGKR-UONOGXRCSA-N 2 1 324.490 3.306 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccccc2Cl)c2ccccc21 ZINC000423002813 434161534 /nfs/dbraw/zinc/16/15/34/434161534.db2.gz JVSFJWYSNXDRIB-JKSUJKDBSA-N 2 1 302.805 3.453 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423004718 434161558 /nfs/dbraw/zinc/16/15/58/434161558.db2.gz PWRAYAQJBAZXGM-CKMGUBGDSA-N 2 1 314.473 3.372 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1Cl ZINC000423006465 434161879 /nfs/dbraw/zinc/16/18/79/434161879.db2.gz VILSLBPDIIUZAU-RHSMWYFYSA-N 2 1 318.848 3.267 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286111594 434165296 /nfs/dbraw/zinc/16/52/96/434165296.db2.gz NQMQPSVNNXORSF-INIZCTEOSA-N 2 1 301.438 3.216 20 0 DGADMP CC[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CCCC[NH2+]1 ZINC000423023140 434170049 /nfs/dbraw/zinc/17/00/49/434170049.db2.gz JDIKBODZGGLRDY-LSDHHAIUSA-N 2 1 309.523 3.493 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000315661890 434171236 /nfs/dbraw/zinc/17/12/36/434171236.db2.gz OUDITSZMRGGTNC-GBESFXJTSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000315661887 434171386 /nfs/dbraw/zinc/17/13/86/434171386.db2.gz OUDITSZMRGGTNC-FHWLQOOXSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000450424426 434172472 /nfs/dbraw/zinc/17/24/72/434172472.db2.gz KQCFKFAOTYIBBZ-YZGWKJHDSA-N 2 1 316.489 3.101 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450433898 434175576 /nfs/dbraw/zinc/17/55/76/434175576.db2.gz FQRPDRFVAHIHRR-RTBURBONSA-N 2 1 307.526 3.057 20 0 DGADMP Cc1cc[nH+]c(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000286157365 434178658 /nfs/dbraw/zinc/17/86/58/434178658.db2.gz BMAKHYFIGDFZID-UHFFFAOYSA-N 2 1 311.429 3.475 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450434579 434180894 /nfs/dbraw/zinc/18/08/94/434180894.db2.gz DDIZDDZNSONLPZ-OALUTQOASA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000450434579 434180902 /nfs/dbraw/zinc/18/09/02/434180902.db2.gz DDIZDDZNSONLPZ-OALUTQOASA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000450434579 434180909 /nfs/dbraw/zinc/18/09/09/434180909.db2.gz DDIZDDZNSONLPZ-OALUTQOASA-N 2 1 304.478 3.050 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCO1 ZINC000423037693 434183200 /nfs/dbraw/zinc/18/32/00/434183200.db2.gz WQNZBBRSDBGBRM-FPAYPSAMSA-N 2 1 302.462 3.275 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286196877 434191912 /nfs/dbraw/zinc/19/19/12/434191912.db2.gz XSTLXLBWNJVNQH-VAMGGRTRSA-N 2 1 316.489 3.223 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423052144 434193304 /nfs/dbraw/zinc/19/33/04/434193304.db2.gz PVGRPQHWLUSFPH-ZFWWWQNUSA-N 2 1 311.429 3.273 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCO2 ZINC000423063979 434195766 /nfs/dbraw/zinc/19/57/66/434195766.db2.gz QFXMDASSZRMHBD-RKTXRCNFSA-N 2 1 304.409 3.160 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(O)CCC(C)CC3)C2)CC1 ZINC000357819754 434198349 /nfs/dbraw/zinc/19/83/49/434198349.db2.gz CZFLROUKSMNWIF-SYYJFZTOSA-N 2 1 322.537 3.372 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCO2 ZINC000423063978 434199224 /nfs/dbraw/zinc/19/92/24/434199224.db2.gz QFXMDASSZRMHBD-QMCVQRASSA-N 2 1 304.409 3.160 20 0 DGADMP COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423067632 434204897 /nfs/dbraw/zinc/20/48/97/434204897.db2.gz HOAPCJGAXSVLIL-NSHDSACASA-N 2 1 319.836 3.362 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000353532677 434205676 /nfs/dbraw/zinc/20/56/76/434205676.db2.gz QHSALKCUMRDUKW-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@H](C)C1 ZINC000437095850 434215205 /nfs/dbraw/zinc/21/52/05/434215205.db2.gz KQJRHSZVPNSUIE-SJLPKXTDSA-N 2 1 303.494 3.351 20 0 DGADMP CCCc1ccc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000450482481 434217025 /nfs/dbraw/zinc/21/70/25/434217025.db2.gz GUDHHVPTBPEAFC-UHFFFAOYSA-N 2 1 321.428 3.237 20 0 DGADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000423098759 434218121 /nfs/dbraw/zinc/21/81/21/434218121.db2.gz LHINRQQTPPNGAV-DARIXABFSA-N 2 1 302.462 3.273 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000340499456 434167762 /nfs/dbraw/zinc/16/77/62/434167762.db2.gz NZQNVEZXXKZWBW-IPQPSQTFSA-N 2 1 316.489 3.321 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000321112773 434244346 /nfs/dbraw/zinc/24/43/46/434244346.db2.gz ZIZWBGZCIYVIAC-HOTGVXAUSA-N 2 1 320.477 3.476 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423149472 434246572 /nfs/dbraw/zinc/24/65/72/434246572.db2.gz AWPOKLMXUUBVHZ-PBHICJAKSA-N 2 1 305.491 3.129 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148681 434247716 /nfs/dbraw/zinc/24/77/16/434247716.db2.gz GJTUCOJQDANDDV-PKOBYXMFSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148681 434247723 /nfs/dbraw/zinc/24/77/23/434247723.db2.gz GJTUCOJQDANDDV-PKOBYXMFSA-N 2 1 315.505 3.019 20 0 DGADMP COC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000423148246 434248681 /nfs/dbraw/zinc/24/86/81/434248681.db2.gz FOCCXRSRXONIOV-GXTWGEPZSA-N 2 1 319.836 3.228 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000353583584 434248983 /nfs/dbraw/zinc/24/89/83/434248983.db2.gz YYOBOBIZCNZRHO-LSDHHAIUSA-N 2 1 302.466 3.202 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000353583584 434248989 /nfs/dbraw/zinc/24/89/89/434248989.db2.gz YYOBOBIZCNZRHO-LSDHHAIUSA-N 2 1 302.466 3.202 20 0 DGADMP Cc1[nH+]ccn1CCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000346271548 434251319 /nfs/dbraw/zinc/25/13/19/434251319.db2.gz DZVFTCFXXBSHJI-UHFFFAOYSA-N 2 1 318.509 3.024 20 0 DGADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000379655610 434257512 /nfs/dbraw/zinc/25/75/12/434257512.db2.gz MFADDMMKDWQIPT-NZSAHSFTSA-N 2 1 304.478 3.444 20 0 DGADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000379655610 434257519 /nfs/dbraw/zinc/25/75/19/434257519.db2.gz MFADDMMKDWQIPT-NZSAHSFTSA-N 2 1 304.478 3.444 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)c1OC ZINC000322641387 434259069 /nfs/dbraw/zinc/25/90/69/434259069.db2.gz YDLGUYANRITUCU-AGUYFDCRSA-N 2 1 324.852 3.072 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)c1OC ZINC000322641387 434259080 /nfs/dbraw/zinc/25/90/80/434259080.db2.gz YDLGUYANRITUCU-AGUYFDCRSA-N 2 1 324.852 3.072 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000423174870 434262393 /nfs/dbraw/zinc/26/23/93/434262393.db2.gz CLWJMBWFSRJIKT-AWEZNQCLSA-N 2 1 304.434 3.160 20 0 DGADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000423172714 434262690 /nfs/dbraw/zinc/26/26/90/434262690.db2.gz UUYSYZWFXQTQSY-GGPKGHCWSA-N 2 1 322.452 3.245 20 0 DGADMP OCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000379779154 434264570 /nfs/dbraw/zinc/26/45/70/434264570.db2.gz WATZQBIMUUSPQV-NRFANRHFSA-N 2 1 324.468 3.181 20 0 DGADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423176950 434268664 /nfs/dbraw/zinc/26/86/64/434268664.db2.gz GTKZTOJUFSWZDS-SWLSCSKDSA-N 2 1 311.267 3.235 20 0 DGADMP CCC[N@@H+](C)[C@@H](CNC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423109442 434222805 /nfs/dbraw/zinc/22/28/05/434222805.db2.gz SNQUMVANUOSSGS-KRWDZBQOSA-N 2 1 309.885 3.065 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000423106890 434225337 /nfs/dbraw/zinc/22/53/37/434225337.db2.gz ROOFGUMVZPQWTK-ROUUACIJSA-N 2 1 307.526 3.010 20 0 DGADMP CCc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC000450497022 434229249 /nfs/dbraw/zinc/22/92/49/434229249.db2.gz ZZLNOMXQFVPESB-HDICACEKSA-N 2 1 307.441 3.212 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007664 434231420 /nfs/dbraw/zinc/23/14/20/434231420.db2.gz VCYYXXRCEZGOBI-HUUCEWRRSA-N 2 1 306.450 3.055 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007664 434231430 /nfs/dbraw/zinc/23/14/30/434231430.db2.gz VCYYXXRCEZGOBI-HUUCEWRRSA-N 2 1 306.450 3.055 20 0 DGADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000295257704 434279967 /nfs/dbraw/zinc/27/99/67/434279967.db2.gz RAHVJMNRUSQATA-LJQANCHMSA-N 2 1 323.440 3.009 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423205236 434280049 /nfs/dbraw/zinc/28/00/49/434280049.db2.gz DZJULPLUAXMESP-RYUDHWBXSA-N 2 1 312.841 3.007 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423200576 434281559 /nfs/dbraw/zinc/28/15/59/434281559.db2.gz MRIRBTOZXLMGDK-CYBMUJFWSA-N 2 1 303.475 3.302 20 0 DGADMP OCCC[N@H+]1CCC[C@H]1CNc1ccnc2c(Cl)cccc12 ZINC000450594877 434284893 /nfs/dbraw/zinc/28/48/93/434284893.db2.gz LLOUTDFXBMWYII-ZDUSSCGKSA-N 2 1 319.836 3.147 20 0 DGADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000383942456 434289380 /nfs/dbraw/zinc/28/93/80/434289380.db2.gz VKBUNPXKCHWHBR-NJDAHSKKSA-N 2 1 321.468 3.390 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000358030431 434294093 /nfs/dbraw/zinc/29/40/93/434294093.db2.gz AMUSWNSABPLEPO-MOPGFXCFSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC[C@H](C)[NH3+])c2ccc(F)cc2)cc1 ZINC000423226669 434295840 /nfs/dbraw/zinc/29/58/40/434295840.db2.gz RRTRMHQMCGOAOC-UGSOOPFHSA-N 2 1 302.393 3.251 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000423231485 434301874 /nfs/dbraw/zinc/30/18/74/434301874.db2.gz LHEDRUPRQCXXFD-UHFFFAOYSA-N 3 1 315.505 3.289 20 0 DGADMP Cc1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000353650155 434303330 /nfs/dbraw/zinc/30/33/30/434303330.db2.gz ZFZKFBYXNDZALU-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000348398846 434303984 /nfs/dbraw/zinc/30/39/84/434303984.db2.gz URVFCXLJZZICNZ-MSOLQXFVSA-N 3 1 306.498 3.072 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000423240665 434304249 /nfs/dbraw/zinc/30/42/49/434304249.db2.gz KVWOAWCTHJWWQE-ILRDRHFLSA-N 2 1 303.494 3.128 20 0 DGADMP CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400654 434304810 /nfs/dbraw/zinc/30/48/10/434304810.db2.gz ARHJLFSWGZLHGM-CRAIPNDOSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400654 434304820 /nfs/dbraw/zinc/30/48/20/434304820.db2.gz ARHJLFSWGZLHGM-CRAIPNDOSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400654 434304829 /nfs/dbraw/zinc/30/48/29/434304829.db2.gz ARHJLFSWGZLHGM-CRAIPNDOSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400654 434304836 /nfs/dbraw/zinc/30/48/36/434304836.db2.gz ARHJLFSWGZLHGM-CRAIPNDOSA-N 2 1 308.441 3.367 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000423253633 434314512 /nfs/dbraw/zinc/31/45/12/434314512.db2.gz ZFEYPQYBJRVXPM-GUDVDZBRSA-N 2 1 301.478 3.026 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348423835 434314979 /nfs/dbraw/zinc/31/49/79/434314979.db2.gz VZEWYUDYTCQBLA-RRFJBIMHSA-N 2 1 322.415 3.196 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348423835 434314986 /nfs/dbraw/zinc/31/49/86/434314986.db2.gz VZEWYUDYTCQBLA-RRFJBIMHSA-N 2 1 322.415 3.196 20 0 DGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259300 434318091 /nfs/dbraw/zinc/31/80/91/434318091.db2.gz DKTYRZVAWQTZDL-RBUKOAKNSA-N 2 1 322.468 3.271 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423264275 434322529 /nfs/dbraw/zinc/32/25/29/434322529.db2.gz PSRAEKUTQWDXLG-SCLBCKFNSA-N 2 1 303.450 3.203 20 0 DGADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262217 434324647 /nfs/dbraw/zinc/32/46/47/434324647.db2.gz MAPBOTQTSAAXKC-WTGUMLROSA-N 2 1 315.505 3.145 20 0 DGADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000423263738 434325200 /nfs/dbraw/zinc/32/52/00/434325200.db2.gz OUSBZJKHBULUPL-XUVXKRRUSA-N 2 1 315.505 3.319 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103175 434325774 /nfs/dbraw/zinc/32/57/74/434325774.db2.gz VTRCRGPWIPZICI-OTWHNJEPSA-N 2 1 307.526 3.151 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103175 434325781 /nfs/dbraw/zinc/32/57/81/434325781.db2.gz VTRCRGPWIPZICI-OTWHNJEPSA-N 3 1 307.526 3.151 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103175 434325787 /nfs/dbraw/zinc/32/57/87/434325787.db2.gz VTRCRGPWIPZICI-OTWHNJEPSA-N 3 1 307.526 3.151 20 0 DGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423269293 434329010 /nfs/dbraw/zinc/32/90/10/434329010.db2.gz FHCWDGCVISJDEW-ZIAGYGMSSA-N 2 1 302.340 3.363 20 0 DGADMP COCC1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423193203 434277021 /nfs/dbraw/zinc/27/70/21/434277021.db2.gz VJVHZOVADHBWKQ-AWRGBYNESA-N 2 1 302.462 3.275 20 0 DGADMP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423319505 434361671 /nfs/dbraw/zinc/36/16/71/434361671.db2.gz FNWITRXTWUXLNR-XUVXKRRUSA-N 3 1 315.505 3.006 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722216 434366492 /nfs/dbraw/zinc/36/64/92/434366492.db2.gz KKQRVZBRQRPNBL-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722216 434366505 /nfs/dbraw/zinc/36/65/05/434366505.db2.gz KKQRVZBRQRPNBL-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CCC1 ZINC000423325747 434367205 /nfs/dbraw/zinc/36/72/05/434367205.db2.gz LOCHMWSCZJKFNK-ZDUSSCGKSA-N 2 1 300.324 3.044 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000390714213 434367227 /nfs/dbraw/zinc/36/72/27/434367227.db2.gz JQTJAKLWFHGHFH-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000390836569 434371406 /nfs/dbraw/zinc/37/14/06/434371406.db2.gz ABVYVYSWFVTVDP-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000390836569 434371416 /nfs/dbraw/zinc/37/14/16/434371416.db2.gz ABVYVYSWFVTVDP-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000392212459 434383826 /nfs/dbraw/zinc/38/38/26/434383826.db2.gz KFARMSPXHVEZIF-UHFFFAOYSA-N 2 1 302.462 3.463 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)CC[NH2+]1 ZINC000423367359 434385702 /nfs/dbraw/zinc/38/57/02/434385702.db2.gz AGFYPBDFEMNECQ-KKZNHRDASA-N 2 1 315.280 3.228 20 0 DGADMP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000287335641 434337139 /nfs/dbraw/zinc/33/71/39/434337139.db2.gz GCWMAOQOUCUEMA-MAUKXSAKSA-N 2 1 304.503 3.035 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000423285238 434341512 /nfs/dbraw/zinc/34/15/12/434341512.db2.gz ZGJSINQSEDEGNW-VHSXEESVSA-N 2 1 303.219 3.094 20 0 DGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423282015 434341533 /nfs/dbraw/zinc/34/15/33/434341533.db2.gz VRFYRHKAVCESPA-MTQWCTHYSA-N 2 1 315.505 3.003 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423294096 434342423 /nfs/dbraw/zinc/34/24/23/434342423.db2.gz BHAXLJKKMZOLTM-ZBFHGGJFSA-N 2 1 308.466 3.050 20 0 DGADMP CCC([NH3+])(CC)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288782 434343176 /nfs/dbraw/zinc/34/31/76/434343176.db2.gz UZHLUKOPXMQZHO-SJLPKXTDSA-N 2 1 303.494 3.004 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423299389 434349993 /nfs/dbraw/zinc/34/99/93/434349993.db2.gz PZYZXZOTBFCJCP-SUMWQHHRSA-N 2 1 318.465 3.139 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423300219 434350509 /nfs/dbraw/zinc/35/05/09/434350509.db2.gz RFLUTDZOZSAZHG-YSTOQKLRSA-N 2 1 315.505 3.289 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000390363395 434356959 /nfs/dbraw/zinc/35/69/59/434356959.db2.gz RQJSIACCFAPSFR-FGTMMUONSA-N 2 1 317.477 3.269 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000423322269 434358032 /nfs/dbraw/zinc/35/80/32/434358032.db2.gz GJECLVOJVBBFBX-NJAFHUGGSA-N 2 1 302.462 3.309 20 0 DGADMP Clc1ccccc1C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccs1 ZINC000423422302 434416448 /nfs/dbraw/zinc/41/64/48/434416448.db2.gz CMPXTHUIKRFHTR-CXUGXGMPSA-N 2 1 318.873 3.493 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000348634787 434418984 /nfs/dbraw/zinc/41/89/84/434418984.db2.gz MJFRSXUBQBIOPF-RBUKOAKNSA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000348634787 434418997 /nfs/dbraw/zinc/41/89/97/434418997.db2.gz MJFRSXUBQBIOPF-RBUKOAKNSA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000348634787 434419009 /nfs/dbraw/zinc/41/90/09/434419009.db2.gz MJFRSXUBQBIOPF-RBUKOAKNSA-N 2 1 316.514 3.338 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1c1ccccc1 ZINC000423429256 434419299 /nfs/dbraw/zinc/41/92/99/434419299.db2.gz SEDAVWNHOXNSBN-ZULIPRJHSA-N 3 1 315.505 3.177 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1c1ccccc1 ZINC000423429256 434419305 /nfs/dbraw/zinc/41/93/05/434419305.db2.gz SEDAVWNHOXNSBN-ZULIPRJHSA-N 3 1 315.505 3.177 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772167 434420342 /nfs/dbraw/zinc/42/03/42/434420342.db2.gz ZLYWLQUIKRGTMO-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772167 434420352 /nfs/dbraw/zinc/42/03/52/434420352.db2.gz ZLYWLQUIKRGTMO-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772167 434420357 /nfs/dbraw/zinc/42/03/57/434420357.db2.gz ZLYWLQUIKRGTMO-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCOC)c2)C[C@@H]1C ZINC000353772167 434420369 /nfs/dbraw/zinc/42/03/69/434420369.db2.gz ZLYWLQUIKRGTMO-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438121497 434420943 /nfs/dbraw/zinc/42/09/43/434420943.db2.gz YLVDCPPUAIDAGP-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423439416 434423988 /nfs/dbraw/zinc/42/39/88/434423988.db2.gz AAQNBZBQINLDSL-OCCSQVGLSA-N 2 1 302.340 3.363 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396677200 434427697 /nfs/dbraw/zinc/42/76/97/434427697.db2.gz UFYORXPYDIBSJE-JMSVASOKSA-N 2 1 311.267 3.110 20 0 DGADMP Cc1ncccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348639896 434428227 /nfs/dbraw/zinc/42/82/27/434428227.db2.gz FFMHRBPVHBEHMW-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ncccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348639896 434428234 /nfs/dbraw/zinc/42/82/34/434428234.db2.gz FFMHRBPVHBEHMW-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ncccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348639896 434428238 /nfs/dbraw/zinc/42/82/38/434428238.db2.gz FFMHRBPVHBEHMW-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ncccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348639896 434428245 /nfs/dbraw/zinc/42/82/45/434428245.db2.gz FFMHRBPVHBEHMW-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccn1 ZINC000520504936 294830558 /nfs/dbraw/zinc/83/05/58/294830558.db2.gz MLTDFEQFCSJAOM-UHFFFAOYSA-N 2 1 313.367 3.064 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H]1C[NH3+] ZINC000397453891 434434938 /nfs/dbraw/zinc/43/49/38/434434938.db2.gz NBOLSRWTEMUIJM-DVOMOZLQSA-N 2 1 301.409 3.179 20 0 DGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000423500087 434459512 /nfs/dbraw/zinc/45/95/12/434459512.db2.gz KBWHVFWEBKKGTJ-IRXDYDNUSA-N 2 1 304.434 3.031 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823611 434460386 /nfs/dbraw/zinc/46/03/86/434460386.db2.gz AQUYPLWJOMQXLD-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823611 434460397 /nfs/dbraw/zinc/46/03/97/434460397.db2.gz AQUYPLWJOMQXLD-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000353823611 434460408 /nfs/dbraw/zinc/46/04/08/434460408.db2.gz AQUYPLWJOMQXLD-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000353823611 434460415 /nfs/dbraw/zinc/46/04/15/434460415.db2.gz AQUYPLWJOMQXLD-AZUAARDMSA-N 2 1 313.489 3.271 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)CCS2 ZINC000423499222 434462003 /nfs/dbraw/zinc/46/20/03/434462003.db2.gz IZCYGCPKAXDYTO-JKSUJKDBSA-N 2 1 306.475 3.339 20 0 DGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)c(F)c1 ZINC000423516619 434469489 /nfs/dbraw/zinc/46/94/89/434469489.db2.gz AWBZHNDYZMRTPW-JTQLQIEISA-N 2 1 315.230 3.381 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000423515462 434472868 /nfs/dbraw/zinc/47/28/68/434472868.db2.gz NHBKRKZWEANJQK-UZLBHIALSA-N 2 1 310.441 3.383 20 0 DGADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399809209 434482818 /nfs/dbraw/zinc/48/28/18/434482818.db2.gz GIUQEDIEOUOVBY-QUCCMNQESA-N 2 1 323.484 3.433 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423547753 434484728 /nfs/dbraw/zinc/48/47/28/434484728.db2.gz QDLFKMFIGIKPAU-KLIQENQMSA-N 3 1 324.472 3.219 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423547755 434485533 /nfs/dbraw/zinc/48/55/33/434485533.db2.gz QDLFKMFIGIKPAU-WQANXHIZSA-N 3 1 324.472 3.219 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000360056287 434495791 /nfs/dbraw/zinc/49/57/91/434495791.db2.gz GGUBZCKYUKROAC-IRXDYDNUSA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000360056287 434495800 /nfs/dbraw/zinc/49/58/00/434495800.db2.gz GGUBZCKYUKROAC-IRXDYDNUSA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000360056287 434495809 /nfs/dbraw/zinc/49/58/09/434495809.db2.gz GGUBZCKYUKROAC-IRXDYDNUSA-N 2 1 302.462 3.216 20 0 DGADMP CC1=CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000353882026 434498753 /nfs/dbraw/zinc/49/87/53/434498753.db2.gz OKJBZAWEJVMZCQ-UHFFFAOYSA-N 2 1 313.489 3.369 20 0 DGADMP Fc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423487311 434450238 /nfs/dbraw/zinc/45/02/38/434450238.db2.gz CKBJYPPKNCWGMD-ROUUACIJSA-N 2 1 306.425 3.025 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423490734 434454387 /nfs/dbraw/zinc/45/43/87/434454387.db2.gz YEEQQDKUCJLBKO-SXLOBPIMSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423490734 434454396 /nfs/dbraw/zinc/45/43/96/434454396.db2.gz YEEQQDKUCJLBKO-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000398126701 434457001 /nfs/dbraw/zinc/45/70/01/434457001.db2.gz RQLZIFDMDSVBRB-OTWHNJEPSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000398126701 434457002 /nfs/dbraw/zinc/45/70/02/434457002.db2.gz RQLZIFDMDSVBRB-OTWHNJEPSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000404381359 434511904 /nfs/dbraw/zinc/51/19/04/434511904.db2.gz ULNUTYOSFKZQOE-GUYCJALGSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000404381359 434511914 /nfs/dbraw/zinc/51/19/14/434511914.db2.gz ULNUTYOSFKZQOE-GUYCJALGSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2sccc2Br)[C@@H]1CC[NH3+] ZINC000404314401 434512483 /nfs/dbraw/zinc/51/24/83/434512483.db2.gz YWPNTLLUUIHPMN-CMPLNLGQSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2sccc2Br)[C@@H]1CC[NH3+] ZINC000404314401 434512489 /nfs/dbraw/zinc/51/24/89/434512489.db2.gz YWPNTLLUUIHPMN-CMPLNLGQSA-N 2 1 317.296 3.460 20 0 DGADMP Cc1cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493049 434517045 /nfs/dbraw/zinc/51/70/45/434517045.db2.gz XGCREKADRZPEJX-NVXWUHKLSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404493049 434517054 /nfs/dbraw/zinc/51/70/54/434517054.db2.gz XGCREKADRZPEJX-NVXWUHKLSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493049 434517064 /nfs/dbraw/zinc/51/70/64/434517064.db2.gz XGCREKADRZPEJX-NVXWUHKLSA-N 2 1 315.486 3.452 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353910380 434517602 /nfs/dbraw/zinc/51/76/02/434517602.db2.gz DDPFOYSOZDVDDP-MRXNPFEDSA-N 2 1 309.542 3.064 20 0 DGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1Cl ZINC000450985028 434518381 /nfs/dbraw/zinc/51/83/81/434518381.db2.gz ZJQMCMFEQCXJDV-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1Cl ZINC000450985028 434518389 /nfs/dbraw/zinc/51/83/89/434518389.db2.gz ZJQMCMFEQCXJDV-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC000450985028 434518397 /nfs/dbraw/zinc/51/83/97/434518397.db2.gz ZJQMCMFEQCXJDV-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000450985028 434518406 /nfs/dbraw/zinc/51/84/06/434518406.db2.gz ZJQMCMFEQCXJDV-YIONKMFJSA-N 2 1 308.853 3.406 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000360138055 434529371 /nfs/dbraw/zinc/52/93/71/434529371.db2.gz ABNGLXAIDFGSJD-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000353947074 434540853 /nfs/dbraw/zinc/54/08/53/434540853.db2.gz LANZPANGZNQXEU-QAPCUYQASA-N 2 1 304.482 3.036 20 0 DGADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000525977559 295047076 /nfs/dbraw/zinc/04/70/76/295047076.db2.gz WIPXCFOYFUANBO-DLBZAZTESA-N 2 1 324.509 3.162 20 0 DGADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000525977562 295047293 /nfs/dbraw/zinc/04/72/93/295047293.db2.gz WIPXCFOYFUANBO-SJORKVTESA-N 2 1 324.509 3.162 20 0 DGADMP C[NH+]1CCN([C@H](C[NH2+]CCC(C)(C)C)c2cccs2)CC1 ZINC000526124172 295059639 /nfs/dbraw/zinc/05/96/39/295059639.db2.gz IGCXEOHBCTYJCQ-OAHLLOKOSA-N 2 1 309.523 3.062 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527640800 295108041 /nfs/dbraw/zinc/10/80/41/295108041.db2.gz MAQSUUTVTAQPJR-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@@H]1SC ZINC000459376951 434573674 /nfs/dbraw/zinc/57/36/74/434573674.db2.gz OOROHCZZDRSGSV-TWMKSMIVSA-N 2 1 314.539 3.140 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399397 295208130 /nfs/dbraw/zinc/20/81/30/295208130.db2.gz WSCHFQLNDMXNOV-WBAXXEDZSA-N 2 1 308.441 3.318 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399397 295208131 /nfs/dbraw/zinc/20/81/31/295208131.db2.gz WSCHFQLNDMXNOV-WBAXXEDZSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399397 295208132 /nfs/dbraw/zinc/20/81/32/295208132.db2.gz WSCHFQLNDMXNOV-WBAXXEDZSA-N 2 1 308.441 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC000528399397 295208133 /nfs/dbraw/zinc/20/81/33/295208133.db2.gz WSCHFQLNDMXNOV-WBAXXEDZSA-N 2 1 308.441 3.318 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528571489 295227037 /nfs/dbraw/zinc/22/70/37/295227037.db2.gz ISMNFLRQADUPQA-UHFFFAOYSA-N 2 1 317.408 3.264 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000354034604 434587586 /nfs/dbraw/zinc/58/75/86/434587586.db2.gz SQSONDHBLAWHEX-SUZKBHRPSA-N 2 1 310.397 3.257 20 0 DGADMP COc1ccccc1/C=C\CN1CC[C@H](Oc2ccncc2)C1 ZINC000354034604 434587591 /nfs/dbraw/zinc/58/75/91/434587591.db2.gz SQSONDHBLAWHEX-SUZKBHRPSA-N 2 1 310.397 3.257 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000420295284 295241054 /nfs/dbraw/zinc/24/10/54/295241054.db2.gz CCWRFYHQDHEDRU-NXHRZFHOSA-N 2 1 320.502 3.098 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn2ccccc12 ZINC000349178953 434628390 /nfs/dbraw/zinc/62/83/90/434628390.db2.gz BXGGLUHSCJUPOA-UHFFFAOYSA-N 2 1 311.433 3.005 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn2ccccc12 ZINC000349178953 434628395 /nfs/dbraw/zinc/62/83/95/434628395.db2.gz BXGGLUHSCJUPOA-UHFFFAOYSA-N 2 1 311.433 3.005 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1C(C)C ZINC000424148991 434636401 /nfs/dbraw/zinc/63/64/01/434636401.db2.gz VPKRACUGVVPXHJ-FUHWJXTLSA-N 2 1 306.498 3.454 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000349208595 434636535 /nfs/dbraw/zinc/63/65/35/434636535.db2.gz MIJAGOFMAOFLAU-AOIWGVFYSA-N 2 1 316.489 3.226 20 0 DGADMP CN(C)c1cc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc[nH+]1 ZINC000424160914 434641833 /nfs/dbraw/zinc/64/18/33/434641833.db2.gz XQAKPTFJGPOACY-HNNXBMFYSA-N 2 1 318.465 3.164 20 0 DGADMP CN(C)c1cc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc[nH+]1 ZINC000424160916 434642856 /nfs/dbraw/zinc/64/28/56/434642856.db2.gz XQAKPTFJGPOACY-OAHLLOKOSA-N 2 1 318.465 3.164 20 0 DGADMP Cc1cc[nH+]c(N2CCN(c3cc[nH+]c(C)c3Cl)CC2)c1 ZINC000354155776 434645877 /nfs/dbraw/zinc/64/58/77/434645877.db2.gz QQJYHXRURNLFIA-UHFFFAOYSA-N 2 1 302.809 3.073 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000459640609 434644699 /nfs/dbraw/zinc/64/46/99/434644699.db2.gz XHOLWQCSCQVOBG-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000459640609 434644704 /nfs/dbraw/zinc/64/47/04/434644704.db2.gz XHOLWQCSCQVOBG-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459549175 434602505 /nfs/dbraw/zinc/60/25/05/434602505.db2.gz YSFUIWBZUKCVGJ-KRWDZBQOSA-N 2 1 307.482 3.139 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078554 434604725 /nfs/dbraw/zinc/60/47/25/434604725.db2.gz ULLNJXALHXRKHC-QGZVFWFLSA-N 2 1 324.472 3.240 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078554 434604732 /nfs/dbraw/zinc/60/47/32/434604732.db2.gz ULLNJXALHXRKHC-QGZVFWFLSA-N 2 1 324.472 3.240 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078554 434604739 /nfs/dbraw/zinc/60/47/39/434604739.db2.gz ULLNJXALHXRKHC-QGZVFWFLSA-N 2 1 324.472 3.240 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078554 434604745 /nfs/dbraw/zinc/60/47/45/434604745.db2.gz ULLNJXALHXRKHC-QGZVFWFLSA-N 2 1 324.472 3.240 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078554 434604750 /nfs/dbraw/zinc/60/47/50/434604750.db2.gz ULLNJXALHXRKHC-QGZVFWFLSA-N 2 1 324.472 3.240 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078553 434605365 /nfs/dbraw/zinc/60/53/65/434605365.db2.gz ULLNJXALHXRKHC-KRWDZBQOSA-N 2 1 324.472 3.240 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078553 434605372 /nfs/dbraw/zinc/60/53/72/434605372.db2.gz ULLNJXALHXRKHC-KRWDZBQOSA-N 2 1 324.472 3.240 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078553 434605381 /nfs/dbraw/zinc/60/53/81/434605381.db2.gz ULLNJXALHXRKHC-KRWDZBQOSA-N 2 1 324.472 3.240 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078553 434605387 /nfs/dbraw/zinc/60/53/87/434605387.db2.gz ULLNJXALHXRKHC-KRWDZBQOSA-N 2 1 324.472 3.240 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354078553 434605396 /nfs/dbraw/zinc/60/53/96/434605396.db2.gz ULLNJXALHXRKHC-KRWDZBQOSA-N 2 1 324.472 3.240 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000354088546 434611557 /nfs/dbraw/zinc/61/15/57/434611557.db2.gz RGDOXGYDKPJUAF-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354209543 434670990 /nfs/dbraw/zinc/67/09/90/434670990.db2.gz ARVQZSUIUZHVQI-RAFMOHDBSA-N 2 1 316.489 3.179 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000424272679 434672359 /nfs/dbraw/zinc/67/23/59/434672359.db2.gz UPGCITJANXUHOX-QWHCGFSZSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000424272679 434672365 /nfs/dbraw/zinc/67/23/65/434672365.db2.gz UPGCITJANXUHOX-QWHCGFSZSA-N 2 1 308.853 3.484 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220303 434675346 /nfs/dbraw/zinc/67/53/46/434675346.db2.gz FCDSXPHWMKVZMH-DLBZAZTESA-N 2 1 317.477 3.047 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cs2)C1 ZINC000459721771 434675465 /nfs/dbraw/zinc/67/54/65/434675465.db2.gz AVDYNSOVIGCENU-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP COc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1OC(C)C ZINC000459723854 434675528 /nfs/dbraw/zinc/67/55/28/434675528.db2.gz DDDABCBSAPUHTA-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000459725131 434675928 /nfs/dbraw/zinc/67/59/28/434675928.db2.gz FPECGFKTRFHZFC-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459723740 434677985 /nfs/dbraw/zinc/67/79/85/434677985.db2.gz CSEUAVODJHHKRP-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1OC(F)F)CC[NH2+]CC2 ZINC000424286603 434678061 /nfs/dbraw/zinc/67/80/61/434678061.db2.gz HLCHRZNGASGHQY-CYBMUJFWSA-N 2 1 310.388 3.252 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424285610 434678472 /nfs/dbraw/zinc/67/84/72/434678472.db2.gz GCBBOWDSAIUUFU-INIZCTEOSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-c3cccs3)on1)CC[NH2+]CC2 ZINC000424298932 434682298 /nfs/dbraw/zinc/68/22/98/434682298.db2.gz UROXBUSGAIXQOO-ZDUSSCGKSA-N 2 1 317.458 3.367 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000459734420 434682727 /nfs/dbraw/zinc/68/27/27/434682727.db2.gz HCDWRABYSJKUCQ-ZDUSSCGKSA-N 2 1 305.447 3.225 20 0 DGADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424296583 434684085 /nfs/dbraw/zinc/68/40/85/434684085.db2.gz RYYHTYYOENEQNC-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424301097 434684859 /nfs/dbraw/zinc/68/48/59/434684859.db2.gz XACSQPAJJNUJPN-KRWDZBQOSA-N 2 1 302.462 3.146 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@@H+]1C ZINC000424311932 434690394 /nfs/dbraw/zinc/69/03/94/434690394.db2.gz LLYIPBSHCKMWCO-DJIMGWMZSA-N 2 1 315.486 3.499 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@H+]1C ZINC000424311932 434690400 /nfs/dbraw/zinc/69/04/00/434690400.db2.gz LLYIPBSHCKMWCO-DJIMGWMZSA-N 2 1 315.486 3.499 20 0 DGADMP CO[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411228899 434750118 /nfs/dbraw/zinc/75/01/18/434750118.db2.gz NJXZXPXMJRLZJR-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000349388608 434702708 /nfs/dbraw/zinc/70/27/08/434702708.db2.gz ZUSMAZBMUSYYBW-UHFFFAOYSA-N 2 1 312.339 3.127 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000349388608 434702715 /nfs/dbraw/zinc/70/27/15/434702715.db2.gz ZUSMAZBMUSYYBW-UHFFFAOYSA-N 2 1 312.339 3.127 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000349404072 434706977 /nfs/dbraw/zinc/70/69/77/434706977.db2.gz DFKSBRFNEOBFSR-UHFFFAOYSA-N 2 1 308.466 3.256 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000349404072 434706987 /nfs/dbraw/zinc/70/69/87/434706987.db2.gz DFKSBRFNEOBFSR-UHFFFAOYSA-N 2 1 308.466 3.256 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCC3CC3)cc1)CC[NH2+]CC2 ZINC000424378781 434714636 /nfs/dbraw/zinc/71/46/36/434714636.db2.gz NRVWDLXHXAAZSP-MRXNPFEDSA-N 2 1 314.473 3.439 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000459776052 434716188 /nfs/dbraw/zinc/71/61/88/434716188.db2.gz JXGJMBLOWJAHDB-RDJZCZTQSA-N 2 1 320.477 3.043 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459783503 434720072 /nfs/dbraw/zinc/72/00/72/434720072.db2.gz NICJMUZILODVMA-KXBFYZLASA-N 2 1 302.462 3.394 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459791104 434721801 /nfs/dbraw/zinc/72/18/01/434721801.db2.gz HLEHVZCOKVAYQH-KBMXLJTQSA-N 2 1 307.482 3.399 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442634733 434769934 /nfs/dbraw/zinc/76/99/34/434769934.db2.gz HRZWADQCOWYIGR-HOTGVXAUSA-N 2 1 311.473 3.489 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442887857 434772423 /nfs/dbraw/zinc/77/24/23/434772423.db2.gz BYTWRFHGINWYRW-KURKYZTESA-N 2 1 309.542 3.063 20 0 DGADMP C[C@@H]1COCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411403160 434773061 /nfs/dbraw/zinc/77/30/61/434773061.db2.gz SWAUSZKXMUHDRZ-KRWDZBQOSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000453056594 434786725 /nfs/dbraw/zinc/78/67/25/434786725.db2.gz GHSUEXAQABXGRY-TWMKSMIVSA-N 2 1 304.482 3.237 20 0 DGADMP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453059062 434786862 /nfs/dbraw/zinc/78/68/62/434786862.db2.gz PUYOFBRJCDEABG-IPMKNSEASA-N 2 1 302.462 3.056 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453116668 434805326 /nfs/dbraw/zinc/80/53/26/434805326.db2.gz YDSIARMDGCHHCD-HOTGVXAUSA-N 2 1 300.450 3.224 20 0 DGADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453120519 434806859 /nfs/dbraw/zinc/80/68/59/434806859.db2.gz NOOBUXKGDWFFKK-GSEOLPGOSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453128306 434809290 /nfs/dbraw/zinc/80/92/90/434809290.db2.gz SHVLKIFAJAIQEZ-MTQWCTHYSA-N 2 1 316.489 3.036 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccn(C)n1 ZINC000411816996 434832554 /nfs/dbraw/zinc/83/25/54/434832554.db2.gz IQCPPJJYOYBFKY-INIZCTEOSA-N 2 1 312.461 3.257 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000372493952 434833614 /nfs/dbraw/zinc/83/36/14/434833614.db2.gz XJAZPWRUQSRZCT-XIKSMUEASA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000372493952 434833618 /nfs/dbraw/zinc/83/36/18/434833618.db2.gz XJAZPWRUQSRZCT-XIKSMUEASA-N 2 1 314.473 3.054 20 0 DGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372742696 434851435 /nfs/dbraw/zinc/85/14/35/434851435.db2.gz QKHBNDVISFKWBZ-ZCNNSNEGSA-N 2 1 319.537 3.079 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017117 434854306 /nfs/dbraw/zinc/85/43/06/434854306.db2.gz ZBDUFVGORBXVSY-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017117 434854307 /nfs/dbraw/zinc/85/43/07/434854307.db2.gz ZBDUFVGORBXVSY-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000412017117 434854308 /nfs/dbraw/zinc/85/43/08/434854308.db2.gz ZBDUFVGORBXVSY-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000412017117 434854309 /nfs/dbraw/zinc/85/43/09/434854309.db2.gz ZBDUFVGORBXVSY-ZCNNSNEGSA-N 2 1 316.489 3.100 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000573705408 434920113 /nfs/dbraw/zinc/92/01/13/434920113.db2.gz RZTAOOXONLRUHP-OALUTQOASA-N 2 1 322.468 3.237 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000573705408 434920115 /nfs/dbraw/zinc/92/01/15/434920115.db2.gz RZTAOOXONLRUHP-OALUTQOASA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335028 434892698 /nfs/dbraw/zinc/89/26/98/434892698.db2.gz DGPQTNPPJKYSDI-MFKMUULPSA-N 2 1 303.233 3.184 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000573335028 434892701 /nfs/dbraw/zinc/89/27/01/434892701.db2.gz DGPQTNPPJKYSDI-MFKMUULPSA-N 2 1 303.233 3.184 20 0 DGADMP CCCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115663 434900503 /nfs/dbraw/zinc/90/05/03/434900503.db2.gz IFNRHYURWHHLMT-RTBURBONSA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115663 434900507 /nfs/dbraw/zinc/90/05/07/434900507.db2.gz IFNRHYURWHHLMT-RTBURBONSA-N 2 1 304.478 3.182 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000521942660 434901243 /nfs/dbraw/zinc/90/12/43/434901243.db2.gz WALVXMFACDXMDK-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000521942660 434901248 /nfs/dbraw/zinc/90/12/48/434901248.db2.gz WALVXMFACDXMDK-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000521942660 434901253 /nfs/dbraw/zinc/90/12/53/434901253.db2.gz WALVXMFACDXMDK-PKOBYXMFSA-N 2 1 302.462 3.390 20 0 DGADMP C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412085603 434865025 /nfs/dbraw/zinc/86/50/25/434865025.db2.gz OGZIMBHZXNPBOA-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP CO[C@@](C)(C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000638067777 434945524 /nfs/dbraw/zinc/94/55/24/434945524.db2.gz UUJYNWNBSUKKQM-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@](C)(C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067777 434945527 /nfs/dbraw/zinc/94/55/27/434945527.db2.gz UUJYNWNBSUKKQM-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@](C)(C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067777 434945528 /nfs/dbraw/zinc/94/55/28/434945528.db2.gz UUJYNWNBSUKKQM-QUCCMNQESA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000554891710 434952740 /nfs/dbraw/zinc/95/27/40/434952740.db2.gz DZIFWZJLFYSIIO-BBWFWOEESA-N 2 1 306.498 3.219 20 0 DGADMP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000555228727 434966307 /nfs/dbraw/zinc/96/63/07/434966307.db2.gz HMAUMPPKLDMYMK-MLHJIOFPSA-N 2 1 316.514 3.381 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000555415540 434973048 /nfs/dbraw/zinc/97/30/48/434973048.db2.gz ZMXQYEYDSZJQST-QXCFHYIPSA-N 2 1 308.510 3.386 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000573884489 434933945 /nfs/dbraw/zinc/93/39/45/434933945.db2.gz ANVXLWBDWPPBCY-MJGOQNOKSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000573884489 434933949 /nfs/dbraw/zinc/93/39/49/434933949.db2.gz ANVXLWBDWPPBCY-MJGOQNOKSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000573884489 434933952 /nfs/dbraw/zinc/93/39/52/434933952.db2.gz ANVXLWBDWPPBCY-MJGOQNOKSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000573884489 434933955 /nfs/dbraw/zinc/93/39/55/434933955.db2.gz ANVXLWBDWPPBCY-MJGOQNOKSA-N 2 1 318.505 3.469 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638360225 435013032 /nfs/dbraw/zinc/01/30/32/435013032.db2.gz VOGBXXXTPYVNDU-JTQLQIEISA-N 2 1 314.260 3.150 20 0 DGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638360225 435013036 /nfs/dbraw/zinc/01/30/36/435013036.db2.gz VOGBXXXTPYVNDU-JTQLQIEISA-N 2 1 314.260 3.150 20 0 DGADMP CC[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)OC ZINC000638377340 435018176 /nfs/dbraw/zinc/01/81/76/435018176.db2.gz HPQYRZNACJSIPK-IBGZPJMESA-N 2 1 304.478 3.364 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000638409678 435025149 /nfs/dbraw/zinc/02/51/49/435025149.db2.gz OIPBAVUITGHQNL-IEBWSBKVSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)OC ZINC000638419127 435027490 /nfs/dbraw/zinc/02/74/90/435027490.db2.gz GGBSMOXKRPLBRN-KRWDZBQOSA-N 2 1 305.397 3.225 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1F ZINC000638420252 435027670 /nfs/dbraw/zinc/02/76/70/435027670.db2.gz MJTWECZUXMAWHJ-FZMZJTMJSA-N 2 1 305.422 3.303 20 0 DGADMP CCOC1CC(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000638435718 435030450 /nfs/dbraw/zinc/03/04/50/435030450.db2.gz WYEGMDXHJIBHGO-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443406 435031089 /nfs/dbraw/zinc/03/10/89/435031089.db2.gz MVZMBQIPESOMFY-MISYRCLQSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443406 435031092 /nfs/dbraw/zinc/03/10/92/435031092.db2.gz MVZMBQIPESOMFY-MISYRCLQSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443406 435031095 /nfs/dbraw/zinc/03/10/95/435031095.db2.gz MVZMBQIPESOMFY-MISYRCLQSA-N 2 1 313.489 3.038 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC(C)(C)Oc1ccccc1 ZINC000638335806 435006476 /nfs/dbraw/zinc/00/64/76/435006476.db2.gz UWUDNNXLUNHNSI-OAHLLOKOSA-N 2 1 301.434 3.275 20 0 DGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000556864211 435033381 /nfs/dbraw/zinc/03/33/81/435033381.db2.gz FJKRVWZLAFERPW-RBUKOAKNSA-N 2 1 302.462 3.043 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361036 435011676 /nfs/dbraw/zinc/01/16/76/435011676.db2.gz ZLVNWANADNWCAG-KPFFTGBYSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361036 435011681 /nfs/dbraw/zinc/01/16/81/435011681.db2.gz ZLVNWANADNWCAG-KPFFTGBYSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361038 435011710 /nfs/dbraw/zinc/01/17/10/435011710.db2.gz ZLVNWANADNWCAG-YVWKXTFCSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361038 435011714 /nfs/dbraw/zinc/01/17/14/435011714.db2.gz ZLVNWANADNWCAG-YVWKXTFCSA-N 2 1 324.472 3.229 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000638610705 435058693 /nfs/dbraw/zinc/05/86/93/435058693.db2.gz DSHCPBVIJKLPBN-DNVCBOLYSA-N 2 1 302.462 3.227 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000530902408 435059694 /nfs/dbraw/zinc/05/96/94/435059694.db2.gz VDODIGHJTBONQU-RDJZCZTQSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000530902408 435059698 /nfs/dbraw/zinc/05/96/98/435059698.db2.gz VDODIGHJTBONQU-RDJZCZTQSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000530902408 435059703 /nfs/dbraw/zinc/05/97/03/435059703.db2.gz VDODIGHJTBONQU-RDJZCZTQSA-N 2 1 308.441 3.399 20 0 DGADMP Clc1ccc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000557874874 435070607 /nfs/dbraw/zinc/07/06/07/435070607.db2.gz KUNLWNWINIXTDE-LBPRGKRZSA-N 2 1 301.821 3.206 20 0 DGADMP Clc1ccc2[nH+]ccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000557874874 435070611 /nfs/dbraw/zinc/07/06/11/435070611.db2.gz KUNLWNWINIXTDE-LBPRGKRZSA-N 2 1 301.821 3.206 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638723152 435078420 /nfs/dbraw/zinc/07/84/20/435078420.db2.gz YTAXJYIHKJWZPQ-IHJVYAAUSA-N 2 1 316.489 3.444 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638723152 435078424 /nfs/dbraw/zinc/07/84/24/435078424.db2.gz YTAXJYIHKJWZPQ-IHJVYAAUSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccns1 ZINC000638735293 435080703 /nfs/dbraw/zinc/08/07/03/435080703.db2.gz CUZVRMOVUGXRTE-HWWDLCQESA-N 2 1 315.486 3.389 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccns1 ZINC000638735293 435080708 /nfs/dbraw/zinc/08/07/08/435080708.db2.gz CUZVRMOVUGXRTE-HWWDLCQESA-N 2 1 315.486 3.389 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638738124 435081557 /nfs/dbraw/zinc/08/15/57/435081557.db2.gz LREBEWNTCWSPCB-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765972 435086629 /nfs/dbraw/zinc/08/66/29/435086629.db2.gz MSRZSCCPWAPEQF-YTQUADARSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638765972 435086632 /nfs/dbraw/zinc/08/66/32/435086632.db2.gz MSRZSCCPWAPEQF-YTQUADARSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000638478460 435039756 /nfs/dbraw/zinc/03/97/56/435039756.db2.gz ATAXEJIAVKMQJW-QILLFSRXSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000638478460 435039759 /nfs/dbraw/zinc/03/97/59/435039759.db2.gz ATAXEJIAVKMQJW-QILLFSRXSA-N 2 1 302.462 3.104 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)oc1C ZINC000638523422 435045292 /nfs/dbraw/zinc/04/52/92/435045292.db2.gz HFTOTLCMNRPKIA-BCDXTJNWSA-N 2 1 317.477 3.139 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474456669 435147591 /nfs/dbraw/zinc/14/75/91/435147591.db2.gz FNBZWNGUVOWAGF-RBUKOAKNSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1cnccc1CC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000578526615 435091587 /nfs/dbraw/zinc/09/15/87/435091587.db2.gz NBSQTRMHTXTHPG-UHFFFAOYSA-N 2 1 318.424 3.177 20 0 DGADMP Cc1cnccc1CCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000578526615 435091590 /nfs/dbraw/zinc/09/15/90/435091590.db2.gz NBSQTRMHTXTHPG-UHFFFAOYSA-N 2 1 318.424 3.177 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811453 435092799 /nfs/dbraw/zinc/09/27/99/435092799.db2.gz AKATZBOVVMHRPM-XLIONFOSSA-N 2 1 322.456 3.243 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811453 435092804 /nfs/dbraw/zinc/09/28/04/435092804.db2.gz AKATZBOVVMHRPM-XLIONFOSSA-N 2 1 322.456 3.243 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC000558571612 435097938 /nfs/dbraw/zinc/09/79/38/435097938.db2.gz JBSQGTRZWSFTLF-BJLQDIEVSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000558571612 435097945 /nfs/dbraw/zinc/09/79/45/435097945.db2.gz JBSQGTRZWSFTLF-BJLQDIEVSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000558571612 435097947 /nfs/dbraw/zinc/09/79/47/435097947.db2.gz JBSQGTRZWSFTLF-BJLQDIEVSA-N 2 1 317.521 3.215 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(C)cc1 ZINC000558607707 435099727 /nfs/dbraw/zinc/09/97/27/435099727.db2.gz RNTMTOHDBBOJMC-UHFFFAOYSA-N 2 1 317.521 3.233 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000558623111 435101052 /nfs/dbraw/zinc/10/10/52/435101052.db2.gz RNOBTTUMGCDAIT-MOPGFXCFSA-N 2 1 314.473 3.057 20 0 DGADMP Fc1ccc2ccc(C[NH2+]CCC[NH+]3CCCC3)nc2c1F ZINC000638849280 435102979 /nfs/dbraw/zinc/10/29/79/435102979.db2.gz SCZRPLWRMDHVQY-UHFFFAOYSA-N 2 1 305.372 3.089 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCC1 ZINC000531677674 435108921 /nfs/dbraw/zinc/10/89/21/435108921.db2.gz KALKYWASUSEGKR-WBVHZDCISA-N 2 1 321.534 3.205 20 0 DGADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000578766601 435109179 /nfs/dbraw/zinc/10/91/79/435109179.db2.gz BLTTYCXTFZJHRS-YSIASYRMSA-N 2 1 307.441 3.339 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676760 435110273 /nfs/dbraw/zinc/11/02/73/435110273.db2.gz DXIYLNYBIIWHBX-WWGRRREGSA-N 2 1 312.404 3.149 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC(C)C)[C@H](C)C1 ZINC000531700252 435111132 /nfs/dbraw/zinc/11/11/32/435111132.db2.gz ZOFJNMYEDDDQEY-VQIMIIECSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2COC(C)C)[C@H](C)C1 ZINC000531700249 435111778 /nfs/dbraw/zinc/11/17/78/435111778.db2.gz ZOFJNMYEDDDQEY-APWZRJJASA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708639 435113119 /nfs/dbraw/zinc/11/31/19/435113119.db2.gz ASHVCZUJGYLAAZ-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708639 435113123 /nfs/dbraw/zinc/11/31/23/435113123.db2.gz ASHVCZUJGYLAAZ-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@]2(C)CCCc3ccccc32)CC1 ZINC000638922226 435118649 /nfs/dbraw/zinc/11/86/49/435118649.db2.gz AHHFCDRHPUMNQZ-FQEVSTJZSA-N 2 1 316.489 3.063 20 0 DGADMP C[NH+](C)Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000467454860 435122090 /nfs/dbraw/zinc/12/20/90/435122090.db2.gz KEGBFLSOXUCXFN-CVEARBPZSA-N 2 1 307.869 3.440 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000578994820 435122886 /nfs/dbraw/zinc/12/28/86/435122886.db2.gz YZJPSQOFQXFUQR-LJQANCHMSA-N 2 1 322.452 3.330 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639043830 435133159 /nfs/dbraw/zinc/13/31/59/435133159.db2.gz ARIDDEJUKPUHMT-HKUYNNGSSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639043830 435133163 /nfs/dbraw/zinc/13/31/63/435133163.db2.gz ARIDDEJUKPUHMT-HKUYNNGSSA-N 2 1 302.462 3.369 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559846517 435141022 /nfs/dbraw/zinc/14/10/22/435141022.db2.gz ZFZZHTSMZJFIDI-QZTJIDSGSA-N 2 1 304.478 3.353 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559846517 435141025 /nfs/dbraw/zinc/14/10/25/435141025.db2.gz ZFZZHTSMZJFIDI-QZTJIDSGSA-N 2 1 304.478 3.353 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559846520 435141603 /nfs/dbraw/zinc/14/16/03/435141603.db2.gz ZFZZHTSMZJFIDI-ROUUACIJSA-N 2 1 304.478 3.353 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559846520 435141605 /nfs/dbraw/zinc/14/16/05/435141605.db2.gz ZFZZHTSMZJFIDI-ROUUACIJSA-N 2 1 304.478 3.353 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000559916174 435142618 /nfs/dbraw/zinc/14/26/18/435142618.db2.gz RXTPSYMHGIGADQ-CVEARBPZSA-N 2 1 305.466 3.109 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000559916174 435142620 /nfs/dbraw/zinc/14/26/20/435142620.db2.gz RXTPSYMHGIGADQ-CVEARBPZSA-N 2 1 305.466 3.109 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474041746 435143276 /nfs/dbraw/zinc/14/32/76/435143276.db2.gz WKIVRKZKSUMDDX-IYOUNJFTSA-N 2 1 302.462 3.490 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474041746 435143279 /nfs/dbraw/zinc/14/32/79/435143279.db2.gz WKIVRKZKSUMDDX-IYOUNJFTSA-N 2 1 302.462 3.490 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000532192951 435145484 /nfs/dbraw/zinc/14/54/84/435145484.db2.gz JHDMVWPCEKAYBL-UHFFFAOYSA-N 2 1 314.429 3.180 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000494600101 435196896 /nfs/dbraw/zinc/19/68/96/435196896.db2.gz HRDOEOSXAMCCOF-BSDSXHPESA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000494600101 435196901 /nfs/dbraw/zinc/19/69/01/435196901.db2.gz HRDOEOSXAMCCOF-BSDSXHPESA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CC[N@H+](CCN[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240587 435151578 /nfs/dbraw/zinc/15/15/78/435151578.db2.gz DIBVWGLCUZPKFK-NVXWUHKLSA-N 2 1 300.446 3.364 20 0 DGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240587 435151581 /nfs/dbraw/zinc/15/15/81/435151581.db2.gz DIBVWGLCUZPKFK-NVXWUHKLSA-N 2 1 300.446 3.364 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532232967 435152183 /nfs/dbraw/zinc/15/21/83/435152183.db2.gz ANLNOKLKBBKDNL-NVXWUHKLSA-N 2 1 302.466 3.231 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639105915 435156738 /nfs/dbraw/zinc/15/67/38/435156738.db2.gz JCHJVZWSHKSZEP-CHWSQXEVSA-N 2 1 321.827 3.459 20 0 DGADMP CCC1CC([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000560247417 435157158 /nfs/dbraw/zinc/15/71/58/435157158.db2.gz OARWQZQRZVFQNQ-UUKMXZOPSA-N 2 1 315.505 3.143 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000560354311 435162514 /nfs/dbraw/zinc/16/25/14/435162514.db2.gz IVXWZPLOSGDOGY-MAUKXSAKSA-N 2 1 304.478 3.168 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120650 435163499 /nfs/dbraw/zinc/16/34/99/435163499.db2.gz XWRGDHXVHQNLTE-IEBWSBKVSA-N 2 1 302.462 3.107 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120650 435163502 /nfs/dbraw/zinc/16/35/02/435163502.db2.gz XWRGDHXVHQNLTE-IEBWSBKVSA-N 2 1 302.462 3.107 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000579647801 435171403 /nfs/dbraw/zinc/17/14/03/435171403.db2.gz VYBYKJYMPVANIW-FUHWJXTLSA-N 2 1 314.473 3.316 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC=C(C)CC3)CCCC2)CC1 ZINC000560484142 435172494 /nfs/dbraw/zinc/17/24/94/435172494.db2.gz BGUDNBCIOGFKSG-QGZVFWFLSA-N 2 1 306.494 3.498 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532516950 435174219 /nfs/dbraw/zinc/17/42/19/435174219.db2.gz VHPFCCWBOMJVJQ-UYAOXDASSA-N 2 1 316.489 3.348 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532516950 435174221 /nfs/dbraw/zinc/17/42/21/435174221.db2.gz VHPFCCWBOMJVJQ-UYAOXDASSA-N 2 1 316.489 3.348 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000639155054 435175750 /nfs/dbraw/zinc/17/57/50/435175750.db2.gz LUMVXPZIZMYHDE-RLLQIKCJSA-N 2 1 316.489 3.474 20 0 DGADMP Cc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nc(C(C)C)n1 ZINC000561426004 435216862 /nfs/dbraw/zinc/21/68/62/435216862.db2.gz OYMZSUCRRHDQSJ-SFHVURJKSA-N 2 1 324.472 3.272 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2ccc(F)c(F)c2n1)C1CC1 ZINC000639247121 435213318 /nfs/dbraw/zinc/21/33/18/435213318.db2.gz PYUQITPFNFNGNY-UHFFFAOYSA-N 2 1 319.399 3.477 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000639287889 435228085 /nfs/dbraw/zinc/22/80/85/435228085.db2.gz OOKPOZDBHPQNPJ-VYCZESIESA-N 2 1 300.446 3.122 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000639287889 435228088 /nfs/dbraw/zinc/22/80/88/435228088.db2.gz OOKPOZDBHPQNPJ-VYCZESIESA-N 2 1 300.446 3.122 20 0 DGADMP C[N@H+]1CC[C@H](CS[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000580430351 435232582 /nfs/dbraw/zinc/23/25/82/435232582.db2.gz BTLHKITZYLXATE-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H](CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000580430351 435232589 /nfs/dbraw/zinc/23/25/89/435232589.db2.gz BTLHKITZYLXATE-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H](CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580430351 435232597 /nfs/dbraw/zinc/23/25/97/435232597.db2.gz BTLHKITZYLXATE-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@H](CS[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000580430352 435233320 /nfs/dbraw/zinc/23/33/20/435233320.db2.gz BTLHKITZYLXATE-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H](CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000580430352 435233323 /nfs/dbraw/zinc/23/33/23/435233323.db2.gz BTLHKITZYLXATE-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H](CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580430352 435233327 /nfs/dbraw/zinc/23/33/27/435233327.db2.gz BTLHKITZYLXATE-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[C@@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000639328859 435246987 /nfs/dbraw/zinc/24/69/87/435246987.db2.gz SVTOYHOPYYFLIV-UFYCRDLUSA-N 2 1 314.473 3.023 20 0 DGADMP C[C@@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000639328858 435247566 /nfs/dbraw/zinc/24/75/66/435247566.db2.gz SVTOYHOPYYFLIV-AABGKKOBSA-N 2 1 314.473 3.023 20 0 DGADMP COc1ccc(OC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000534317009 435280791 /nfs/dbraw/zinc/28/07/91/435280791.db2.gz TYQISAAFLYCYSY-INIZCTEOSA-N 2 1 318.461 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477946748 435285416 /nfs/dbraw/zinc/28/54/16/435285416.db2.gz LWOGLCGZTSAUGU-CSFFLVESSA-N 2 1 302.462 3.083 20 0 DGADMP CN1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000648432399 435297710 /nfs/dbraw/zinc/29/77/10/435297710.db2.gz DXSBBKJDADPDBG-QGZVFWFLSA-N 2 1 309.542 3.349 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000648438477 435298765 /nfs/dbraw/zinc/29/87/65/435298765.db2.gz PTNWHLDIWJUVMX-BWPNAZKDSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359991 435263029 /nfs/dbraw/zinc/26/30/29/435263029.db2.gz RYHKYSAPYDWZJY-YVWKXTFCSA-N 2 1 316.489 3.159 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000535067808 435315319 /nfs/dbraw/zinc/31/53/19/435315319.db2.gz QOEVIJGQGUWXLA-UHFFFAOYSA-N 2 1 300.450 3.117 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CCCCC2)cc1 ZINC000479288812 435325603 /nfs/dbraw/zinc/32/56/03/435325603.db2.gz VKWJJETVQDFQHI-WOJBJXKFSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CCCCC2)cc1 ZINC000479288812 435325605 /nfs/dbraw/zinc/32/56/05/435325605.db2.gz VKWJJETVQDFQHI-WOJBJXKFSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567523867 435326456 /nfs/dbraw/zinc/32/64/56/435326456.db2.gz SGMFLJIBCQJMQS-SLFFLAALSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567523867 435326459 /nfs/dbraw/zinc/32/64/59/435326459.db2.gz SGMFLJIBCQJMQS-SLFFLAALSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523867 435326462 /nfs/dbraw/zinc/32/64/62/435326462.db2.gz SGMFLJIBCQJMQS-SLFFLAALSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523867 435326467 /nfs/dbraw/zinc/32/64/67/435326467.db2.gz SGMFLJIBCQJMQS-SLFFLAALSA-N 2 1 316.489 3.018 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000639515555 435327671 /nfs/dbraw/zinc/32/76/71/435327671.db2.gz UFDRLYULMZBMKF-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000639515555 435327675 /nfs/dbraw/zinc/32/76/75/435327675.db2.gz UFDRLYULMZBMKF-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000639515555 435327680 /nfs/dbraw/zinc/32/76/80/435327680.db2.gz UFDRLYULMZBMKF-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000639515555 435327687 /nfs/dbraw/zinc/32/76/87/435327687.db2.gz UFDRLYULMZBMKF-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000639515555 435327689 /nfs/dbraw/zinc/32/76/89/435327689.db2.gz UFDRLYULMZBMKF-PIKOESSRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)ccc1F ZINC000643522723 435340737 /nfs/dbraw/zinc/34/07/37/435340737.db2.gz SKYBSPZTWZFWMH-CMPLNLGQSA-N 2 1 315.230 3.381 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000643522072 435341226 /nfs/dbraw/zinc/34/12/26/435341226.db2.gz HILQCKWMSIDAEY-DGCLKSJQSA-N 2 1 306.841 3.019 20 0 DGADMP Cc1cc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccnc2)ccc1F ZINC000643522456 435342066 /nfs/dbraw/zinc/34/20/66/435342066.db2.gz NIHYTEGVQLYKLI-IEBWSBKVSA-N 2 1 313.420 3.350 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560086 435342076 /nfs/dbraw/zinc/34/20/76/435342076.db2.gz KZWKUQMEQFUPCN-XLIONFOSSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560086 435342081 /nfs/dbraw/zinc/34/20/81/435342081.db2.gz KZWKUQMEQFUPCN-XLIONFOSSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1sccc1Br ZINC000643521928 435342124 /nfs/dbraw/zinc/34/21/24/435342124.db2.gz FOBAMLZHGUUIOA-UWVGGRQHSA-N 2 1 303.269 3.303 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000643522074 435342267 /nfs/dbraw/zinc/34/22/67/435342267.db2.gz HILQCKWMSIDAEY-YPMHNXCESA-N 2 1 306.841 3.019 20 0 DGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528455 435343210 /nfs/dbraw/zinc/34/32/10/435343210.db2.gz JGWVUUYPMSVDHD-UGSOOPFHSA-N 2 1 302.393 3.055 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2cnccn2)CC1)CC(C)C ZINC000639559790 435343993 /nfs/dbraw/zinc/34/39/93/435343993.db2.gz SXDLZOVSBPTHTC-UHFFFAOYSA-N 2 1 318.509 3.099 20 0 DGADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000639559153 435344920 /nfs/dbraw/zinc/34/49/20/435344920.db2.gz PDPDRTZAHSBDBV-AEFFLSMTSA-N 2 1 317.477 3.045 20 0 DGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528452 435344922 /nfs/dbraw/zinc/34/49/22/435344922.db2.gz JGWVUUYPMSVDHD-ACJLOTCBSA-N 2 1 302.393 3.055 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000567724027 435346014 /nfs/dbraw/zinc/34/60/14/435346014.db2.gz UEOVBMNRMHBJSE-SNVBAGLBSA-N 2 1 303.219 3.238 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000535806071 435354238 /nfs/dbraw/zinc/35/42/38/435354238.db2.gz CLAAQWRLYVESHC-HKUYNNGSSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1C(C)(C)C ZINC000535838786 435359479 /nfs/dbraw/zinc/35/94/79/435359479.db2.gz FZNJVFYQOPQLAO-HZPDHXFCSA-N 2 1 304.478 3.091 20 0 DGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000478917799 435314305 /nfs/dbraw/zinc/31/43/05/435314305.db2.gz QFKMAIUZRHMMOX-RBUKOAKNSA-N 2 1 309.542 3.209 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000639759700 435408589 /nfs/dbraw/zinc/40/85/89/435408589.db2.gz HBFXZQUREQZHRA-UHFFFAOYSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000639754611 435409231 /nfs/dbraw/zinc/40/92/31/435409231.db2.gz DAJMGEFHJXXVSW-UHFFFAOYSA-N 2 1 308.466 3.336 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000481317514 435419342 /nfs/dbraw/zinc/41/93/42/435419342.db2.gz PMRRIRNFEQKKOM-CRAIPNDOSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000481317514 435419348 /nfs/dbraw/zinc/41/93/48/435419348.db2.gz PMRRIRNFEQKKOM-CRAIPNDOSA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)CC2 ZINC000480697779 435390233 /nfs/dbraw/zinc/39/02/33/435390233.db2.gz LFLUFNBXZUUYOF-QFBILLFUSA-N 2 1 316.489 3.407 20 0 DGADMP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000480709206 435390592 /nfs/dbraw/zinc/39/05/92/435390592.db2.gz AAAZDLFEUZXXDP-VQIMIIECSA-N 2 1 304.478 3.338 20 0 DGADMP COc1cccc([C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639681974 435391549 /nfs/dbraw/zinc/39/15/49/435391549.db2.gz CMSZCXPDWZLKDK-MRXNPFEDSA-N 2 1 311.429 3.364 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000513510892 435391654 /nfs/dbraw/zinc/39/16/54/435391654.db2.gz GIFGPSMGTBCCDQ-HKUYNNGSSA-N 2 1 314.473 3.223 20 0 DGADMP c1ccc2sc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000639682233 435391958 /nfs/dbraw/zinc/39/19/58/435391958.db2.gz OIHZUCRZFQCTGF-UHFFFAOYSA-N 2 1 324.453 3.404 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000513654945 435397208 /nfs/dbraw/zinc/39/72/08/435397208.db2.gz YJSCXXKCXWFTNB-KGLIPLIRSA-N 2 1 301.821 3.349 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000513654945 435397212 /nfs/dbraw/zinc/39/72/12/435397212.db2.gz YJSCXXKCXWFTNB-KGLIPLIRSA-N 2 1 301.821 3.349 20 0 DGADMP c1cnc2ccc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000639705231 435397663 /nfs/dbraw/zinc/39/76/63/435397663.db2.gz VIFWCMHPXLXKLK-UHFFFAOYSA-N 2 1 318.424 3.342 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000536652385 435398396 /nfs/dbraw/zinc/39/83/96/435398396.db2.gz BVLFSMXOUQJURJ-UHFFFAOYSA-N 2 1 320.525 3.462 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CO1 ZINC000514860482 435444533 /nfs/dbraw/zinc/44/45/33/435444533.db2.gz OLRGRTJIXACIKB-WEOZKBJRSA-N 2 1 302.462 3.197 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000514919462 435449197 /nfs/dbraw/zinc/44/91/97/435449197.db2.gz KZBNKFSAYZRMEE-SFHVURJKSA-N 2 1 321.468 3.182 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000514919462 435449201 /nfs/dbraw/zinc/44/92/01/435449201.db2.gz KZBNKFSAYZRMEE-SFHVURJKSA-N 2 1 321.468 3.182 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000482168165 435457259 /nfs/dbraw/zinc/45/72/59/435457259.db2.gz XERZUALXBVDABL-SJLPKXTDSA-N 2 1 317.477 3.115 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649326 435459777 /nfs/dbraw/zinc/45/97/77/435459777.db2.gz KRWWIAXDEPWRMF-MAUKXSAKSA-N 2 1 323.440 3.251 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649326 435459781 /nfs/dbraw/zinc/45/97/81/435459781.db2.gz KRWWIAXDEPWRMF-MAUKXSAKSA-N 2 1 323.440 3.251 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC1CC1 ZINC000537849505 435471009 /nfs/dbraw/zinc/47/10/09/435471009.db2.gz WBGRFSSLCGLJQX-MOPGFXCFSA-N 2 1 308.510 3.124 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000482683997 435478845 /nfs/dbraw/zinc/47/88/45/435478845.db2.gz QAVSFDYBPPQPPY-HXUWFJFHSA-N 2 1 315.505 3.463 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000482683996 435479438 /nfs/dbraw/zinc/47/94/38/435479438.db2.gz QAVSFDYBPPQPPY-FQEVSTJZSA-N 2 1 315.505 3.463 20 0 DGADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)c2)cn1 ZINC000568392594 435431599 /nfs/dbraw/zinc/43/15/99/435431599.db2.gz MMCUPLJWRQRRRP-WMLDXEAASA-N 2 1 317.458 3.325 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC000514833658 435441365 /nfs/dbraw/zinc/44/13/65/435441365.db2.gz HYBHHEQSIMZCBF-IBGZPJMESA-N 2 1 307.526 3.057 20 0 DGADMP Cc1cccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000568504969 435441776 /nfs/dbraw/zinc/44/17/76/435441776.db2.gz UPFUDVNXVMBGAQ-LJQANCHMSA-N 2 1 315.505 3.376 20 0 DGADMP Cc1cccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000568504969 435441784 /nfs/dbraw/zinc/44/17/84/435441784.db2.gz UPFUDVNXVMBGAQ-LJQANCHMSA-N 2 1 315.505 3.376 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)CCc1cccc(C)n1 ZINC000568877147 435480325 /nfs/dbraw/zinc/48/03/25/435480325.db2.gz QNTOOGODXFFNCZ-UHFFFAOYSA-N 2 1 300.450 3.104 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1cccc(C)n1 ZINC000568877147 435480328 /nfs/dbraw/zinc/48/03/28/435480328.db2.gz QNTOOGODXFFNCZ-UHFFFAOYSA-N 2 1 300.450 3.104 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1cccc(C)n1 ZINC000568877147 435480331 /nfs/dbraw/zinc/48/03/31/435480331.db2.gz QNTOOGODXFFNCZ-UHFFFAOYSA-N 2 1 300.450 3.104 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000538507955 435503873 /nfs/dbraw/zinc/50/38/73/435503873.db2.gz OCUQCHNHBGQMEB-RBUKOAKNSA-N 2 1 314.473 3.222 20 0 DGADMP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000640079630 435511626 /nfs/dbraw/zinc/51/16/26/435511626.db2.gz LZZJLSDVKLCDNV-AABGKKOBSA-N 2 1 314.473 3.018 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)c2ccccc21 ZINC000569330341 435524761 /nfs/dbraw/zinc/52/47/61/435524761.db2.gz QDQFUVJTADWXTD-IIDVPSHRSA-N 2 1 322.452 3.277 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000644886518 435535335 /nfs/dbraw/zinc/53/53/35/435535335.db2.gz RFMMFDLXLCBTCD-RXBGNRNISA-N 2 1 311.429 3.037 20 0 DGADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000482736584 435481640 /nfs/dbraw/zinc/48/16/40/435481640.db2.gz VOASOGVUEZOVAO-WOJBJXKFSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000482736584 435481647 /nfs/dbraw/zinc/48/16/47/435481647.db2.gz VOASOGVUEZOVAO-WOJBJXKFSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482736584 435481653 /nfs/dbraw/zinc/48/16/53/435481653.db2.gz VOASOGVUEZOVAO-WOJBJXKFSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482849149 435483179 /nfs/dbraw/zinc/48/31/79/435483179.db2.gz ZTPYKUYNOZQURD-YZGWKJHDSA-N 2 1 318.505 3.284 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000568920630 435484101 /nfs/dbraw/zinc/48/41/01/435484101.db2.gz MZLFOCNZPYRAAB-QBPKDAKJSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000568920630 435484108 /nfs/dbraw/zinc/48/41/08/435484108.db2.gz MZLFOCNZPYRAAB-QBPKDAKJSA-N 2 1 312.498 3.064 20 0 DGADMP FCCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000639991110 435485484 /nfs/dbraw/zinc/48/54/84/435485484.db2.gz YDXFRRCUTCMUKP-UHFFFAOYSA-N 2 1 320.452 3.090 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000515466920 435486267 /nfs/dbraw/zinc/48/62/67/435486267.db2.gz FFOZNTCCVUVAFG-IAGOWNOFSA-N 2 1 324.534 3.347 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000515466920 435486269 /nfs/dbraw/zinc/48/62/69/435486269.db2.gz FFOZNTCCVUVAFG-IAGOWNOFSA-N 2 1 324.534 3.347 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2c(C)cccc2C)C[C@H]1C ZINC000484921618 435556225 /nfs/dbraw/zinc/55/62/25/435556225.db2.gz PZAGZVVVRJUXGT-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2c(C)cccc2C)C[C@H]1C ZINC000484921618 435556233 /nfs/dbraw/zinc/55/62/33/435556233.db2.gz PZAGZVVVRJUXGT-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2c(C)cccc2C)C[C@H]1C ZINC000484921618 435556236 /nfs/dbraw/zinc/55/62/36/435556236.db2.gz PZAGZVVVRJUXGT-QZTJIDSGSA-N 2 1 304.478 3.487 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539508462 435557165 /nfs/dbraw/zinc/55/71/65/435557165.db2.gz AJPFDIBOGWFRGV-LIRRHRJNSA-N 2 1 320.452 3.366 20 0 DGADMP CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000569754736 435559894 /nfs/dbraw/zinc/55/98/94/435559894.db2.gz MYLCQYUOVSUWHY-FUMNGEBKSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[N@H+](Cc1ccccn1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000569852552 435566657 /nfs/dbraw/zinc/56/66/57/435566657.db2.gz RUVNOZOYQHKLOZ-MRXNPFEDSA-N 2 1 301.409 3.174 20 0 DGADMP Cc1[nH]c2nc[nH+]c(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2c1C ZINC000645107498 435568521 /nfs/dbraw/zinc/56/85/21/435568521.db2.gz QAKYMBDVLBQFLZ-UHFFFAOYSA-N 2 1 301.438 3.296 20 0 DGADMP C[N@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000540155807 435590759 /nfs/dbraw/zinc/59/07/59/435590759.db2.gz LJSTULKSMGEVQY-FQEVSTJZSA-N 2 1 313.489 3.170 20 0 DGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000540155807 435590764 /nfs/dbraw/zinc/59/07/64/435590764.db2.gz LJSTULKSMGEVQY-FQEVSTJZSA-N 2 1 313.489 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000539083943 435537818 /nfs/dbraw/zinc/53/78/18/435537818.db2.gz BQBSMEGAPQGADZ-UXPWSPDFSA-N 2 1 316.489 3.401 20 0 DGADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000569600368 435545968 /nfs/dbraw/zinc/54/59/68/435545968.db2.gz ASIPCCHFGZQYMF-WZOJCFFYSA-N 2 1 302.462 3.197 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000516659672 435546350 /nfs/dbraw/zinc/54/63/50/435546350.db2.gz AGWRURQYWKSJEE-MRXNPFEDSA-N 2 1 312.461 3.490 20 0 DGADMP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@H]2C1 ZINC000486708853 435611322 /nfs/dbraw/zinc/61/13/22/435611322.db2.gz LPYMUXPBPITGNO-SJCJKPOMSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)[C@H]2C1 ZINC000486708853 435611324 /nfs/dbraw/zinc/61/13/24/435611324.db2.gz LPYMUXPBPITGNO-SJCJKPOMSA-N 2 1 301.821 3.419 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)ccc1Cl ZINC000570579099 435632845 /nfs/dbraw/zinc/63/28/45/435632845.db2.gz BENWXCAJNCZVKU-CYBMUJFWSA-N 2 1 305.809 3.072 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000518338972 435633328 /nfs/dbraw/zinc/63/33/28/435633328.db2.gz DIUYTIIZRJCASB-LMMKCTJWSA-N 2 1 301.478 3.428 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccncc2Cl)C1 ZINC000540285843 435595978 /nfs/dbraw/zinc/59/59/78/435595978.db2.gz QMDRZKGACNYTBS-UKRRQHHQSA-N 2 1 301.821 3.404 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000540285843 435595981 /nfs/dbraw/zinc/59/59/81/435595981.db2.gz QMDRZKGACNYTBS-UKRRQHHQSA-N 2 1 301.821 3.404 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3ccccc3n2C)C1 ZINC000540284887 435596074 /nfs/dbraw/zinc/59/60/74/435596074.db2.gz KSLGHQUOHJTDOH-WBVHZDCISA-N 2 1 320.440 3.243 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000649472132 435599962 /nfs/dbraw/zinc/59/99/62/435599962.db2.gz CUIPPNCQONQAOH-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)c1ccc(C[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000649472132 435599966 /nfs/dbraw/zinc/59/99/66/435599966.db2.gz CUIPPNCQONQAOH-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000517630458 435602879 /nfs/dbraw/zinc/60/28/79/435602879.db2.gz GWSRAOGJGAPHPS-NSHGMRRFSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517630458 435602884 /nfs/dbraw/zinc/60/28/84/435602884.db2.gz GWSRAOGJGAPHPS-NSHGMRRFSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517630458 435602888 /nfs/dbraw/zinc/60/28/88/435602888.db2.gz GWSRAOGJGAPHPS-NSHGMRRFSA-N 2 1 317.521 3.358 20 0 DGADMP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n[nH]1 ZINC000570301538 435607108 /nfs/dbraw/zinc/60/71/08/435607108.db2.gz CXPOONPXZNFZLH-DFQSSKMNSA-N 2 1 324.472 3.190 20 0 DGADMP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n[nH]1 ZINC000570301538 435607111 /nfs/dbraw/zinc/60/71/11/435607111.db2.gz CXPOONPXZNFZLH-DFQSSKMNSA-N 2 1 324.472 3.190 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488537723 435640155 /nfs/dbraw/zinc/64/01/55/435640155.db2.gz BEHDCTQYKNVWSJ-UHFFFAOYSA-N 2 1 301.409 3.367 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000570981535 435668626 /nfs/dbraw/zinc/66/86/26/435668626.db2.gz QGETVELVEQEUTP-DLBZAZTESA-N 2 1 305.466 3.070 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106342 435678183 /nfs/dbraw/zinc/67/81/83/435678183.db2.gz GJDUQBCECCFUEZ-MOPGFXCFSA-N 2 1 316.489 3.305 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000519521406 435684839 /nfs/dbraw/zinc/68/48/39/435684839.db2.gz IHGWRXNNRRHPFE-FXAWDEMLSA-N 2 1 318.505 3.203 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222403 435688324 /nfs/dbraw/zinc/68/83/24/435688324.db2.gz MWJJITFOCSWURI-WBVHZDCISA-N 2 1 310.445 3.161 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000571222403 435688329 /nfs/dbraw/zinc/68/83/29/435688329.db2.gz MWJJITFOCSWURI-WBVHZDCISA-N 2 1 310.445 3.161 20 0 DGADMP Cc1cnccc1CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000571320284 435696107 /nfs/dbraw/zinc/69/61/07/435696107.db2.gz KFFVZWMNLMUGSI-UHFFFAOYSA-N 2 1 318.424 3.177 20 0 DGADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011149 435696282 /nfs/dbraw/zinc/69/62/82/435696282.db2.gz VIGBHAKJNKUPNF-HKUYNNGSSA-N 2 1 319.537 3.248 20 0 DGADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011149 435696287 /nfs/dbraw/zinc/69/62/87/435696287.db2.gz VIGBHAKJNKUPNF-HKUYNNGSSA-N 2 1 319.537 3.248 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483665 435696736 /nfs/dbraw/zinc/69/67/36/435696736.db2.gz HDSBBWPBNPTMTH-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011379 435697758 /nfs/dbraw/zinc/69/77/58/435697758.db2.gz VIGBHAKJNKUPNF-PKOBYXMFSA-N 2 1 319.537 3.248 20 0 DGADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491011379 435697762 /nfs/dbraw/zinc/69/77/62/435697762.db2.gz VIGBHAKJNKUPNF-PKOBYXMFSA-N 2 1 319.537 3.248 20 0 DGADMP c1c2ccccc2sc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655701754 435735027 /nfs/dbraw/zinc/73/50/27/435735027.db2.gz ZHNBDRGLMPRMDA-MRXNPFEDSA-N 2 1 316.470 3.244 20 0 DGADMP CO[C@@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C1CCCC1 ZINC000660431593 435740103 /nfs/dbraw/zinc/74/01/03/435740103.db2.gz SCVBABHGAOPCSG-IBGZPJMESA-N 2 1 318.461 3.438 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000651490092 435743146 /nfs/dbraw/zinc/74/31/46/435743146.db2.gz ZEMQAODVXJCUIO-BQFCYCMXSA-N 2 1 304.478 3.336 20 0 DGADMP CC(C)CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000655721852 435751253 /nfs/dbraw/zinc/75/12/53/435751253.db2.gz SBCNWQXBPGODNG-GOSISDBHSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655730134 435753552 /nfs/dbraw/zinc/75/35/52/435753552.db2.gz MSEDUBGGROHQMF-IBGZPJMESA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655726814 435754650 /nfs/dbraw/zinc/75/46/50/435754650.db2.gz PYTZEKZAWQSKDI-CRAIPNDOSA-N 2 1 324.415 3.259 20 0 DGADMP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)C(C)C ZINC000519726032 435704357 /nfs/dbraw/zinc/70/43/57/435704357.db2.gz SKCYUEIJQLURIT-HNNXBMFYSA-N 2 1 322.493 3.263 20 0 DGADMP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)C(C)C ZINC000519726032 435704361 /nfs/dbraw/zinc/70/43/61/435704361.db2.gz SKCYUEIJQLURIT-HNNXBMFYSA-N 2 1 322.493 3.263 20 0 DGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000548714744 435711608 /nfs/dbraw/zinc/71/16/08/435711608.db2.gz RLJJEKHTZSZREU-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000548714744 435711614 /nfs/dbraw/zinc/71/16/14/435711614.db2.gz RLJJEKHTZSZREU-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000548859575 435723496 /nfs/dbraw/zinc/72/34/96/435723496.db2.gz ZSNZVMSTWWQPAY-ROUUACIJSA-N 2 1 306.494 3.332 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000655770646 435787251 /nfs/dbraw/zinc/78/72/51/435787251.db2.gz NDALLWJHHRCIJE-KAPMFFAGSA-N 2 1 318.505 3.044 20 0 DGADMP CCn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)c(-c2ccccc2)n1 ZINC000641700861 435789010 /nfs/dbraw/zinc/78/90/10/435789010.db2.gz JWGPVZUVEOVQOC-UHFFFAOYSA-N 2 1 314.477 3.247 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC000655775569 435789928 /nfs/dbraw/zinc/78/99/28/435789928.db2.gz BAXYIRGPGIKQCZ-HIFRSBDPSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3N)cc2)C1 ZINC000641707314 435792018 /nfs/dbraw/zinc/79/20/18/435792018.db2.gz IZSOVUGFVUJOJV-MRXNPFEDSA-N 2 1 324.472 3.186 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC2CCC1CC2 ZINC000655779868 435792901 /nfs/dbraw/zinc/79/29/01/435792901.db2.gz SVQMQSKFGSZGCN-HTPOPCQBSA-N 2 1 306.494 3.046 20 0 DGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000550606551 435808420 /nfs/dbraw/zinc/80/84/20/435808420.db2.gz XCPCNQBZDLATEU-MOPGFXCFSA-N 2 1 315.505 3.286 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000550817035 435809871 /nfs/dbraw/zinc/80/98/71/435809871.db2.gz HGZSLVHAJHSBST-BBWFWOEESA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000550817035 435809876 /nfs/dbraw/zinc/80/98/76/435809876.db2.gz HGZSLVHAJHSBST-BBWFWOEESA-N 2 1 312.498 3.207 20 0 DGADMP CCOC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000550796980 435811088 /nfs/dbraw/zinc/81/10/88/435811088.db2.gz HVUSYNIEJMOLGT-QYZOEREBSA-N 2 1 304.478 3.473 20 0 DGADMP CCOC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000550796980 435811095 /nfs/dbraw/zinc/81/10/95/435811095.db2.gz HVUSYNIEJMOLGT-QYZOEREBSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000551032803 435818848 /nfs/dbraw/zinc/81/88/48/435818848.db2.gz YWNCFOPMSMGCER-KZNAEPCWSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000551032803 435818853 /nfs/dbraw/zinc/81/88/53/435818853.db2.gz YWNCFOPMSMGCER-KZNAEPCWSA-N 2 1 304.478 3.473 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551039662 435819986 /nfs/dbraw/zinc/81/99/86/435819986.db2.gz UARXSMWDWDFVSW-NEWSRXKRSA-N 2 1 304.478 3.210 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551039662 435819992 /nfs/dbraw/zinc/81/99/92/435819992.db2.gz UARXSMWDWDFVSW-NEWSRXKRSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660473669 435764689 /nfs/dbraw/zinc/76/46/89/435764689.db2.gz SIJSPHOHEAZUDU-QUCCMNQESA-N 2 1 316.489 3.194 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646820 435775701 /nfs/dbraw/zinc/77/57/01/435775701.db2.gz SJYPFMKUEAEKBN-AWEZNQCLSA-N 2 1 324.440 3.007 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103561 435782426 /nfs/dbraw/zinc/78/24/26/435782426.db2.gz XLUVLJHEXMMBRQ-CQSZACIVSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103561 435782433 /nfs/dbraw/zinc/78/24/33/435782433.db2.gz XLUVLJHEXMMBRQ-CQSZACIVSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106662 435783311 /nfs/dbraw/zinc/78/33/11/435783311.db2.gz KLKOAOCQUMEWNH-MRXNPFEDSA-N 2 1 314.473 3.033 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000655770648 435786370 /nfs/dbraw/zinc/78/63/70/435786370.db2.gz NDALLWJHHRCIJE-SWGHUGEVSA-N 2 1 318.505 3.044 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C ZINC000641806278 435829081 /nfs/dbraw/zinc/82/90/81/435829081.db2.gz ILMUXQKSNJUIAC-HZSPNIEDSA-N 2 1 323.868 3.116 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C ZINC000641806278 435829086 /nfs/dbraw/zinc/82/90/86/435829086.db2.gz ILMUXQKSNJUIAC-HZSPNIEDSA-N 2 1 323.868 3.116 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000641799508 435829840 /nfs/dbraw/zinc/82/98/40/435829840.db2.gz QGXITOBJGXVZRQ-SQNIBIBYSA-N 2 1 306.494 3.190 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000572532285 435835278 /nfs/dbraw/zinc/83/52/78/435835278.db2.gz GZVAUTCIZHOQJD-KRWDZBQOSA-N 2 1 303.494 3.365 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000572532285 435835281 /nfs/dbraw/zinc/83/52/81/435835281.db2.gz GZVAUTCIZHOQJD-KRWDZBQOSA-N 2 1 303.494 3.365 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662384 435846792 /nfs/dbraw/zinc/84/67/92/435846792.db2.gz JMINAAXXKPMZQX-MSOLQXFVSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662384 435846797 /nfs/dbraw/zinc/84/67/97/435846797.db2.gz JMINAAXXKPMZQX-MSOLQXFVSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660662384 435846807 /nfs/dbraw/zinc/84/68/07/435846807.db2.gz JMINAAXXKPMZQX-MSOLQXFVSA-N 2 1 322.880 3.445 20 0 DGADMP Fc1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000651864172 435847312 /nfs/dbraw/zinc/84/73/12/435847312.db2.gz KPTAFPHIGWBMKS-UHFFFAOYSA-N 2 1 302.437 3.464 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000552086462 435878317 /nfs/dbraw/zinc/87/83/17/435878317.db2.gz HVIOXDZTQSOWJA-WBMJQRKESA-N 2 1 312.404 3.052 20 0 DGADMP COc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC000660660723 435849456 /nfs/dbraw/zinc/84/94/56/435849456.db2.gz AMOXNNWFFMNYJG-KRWDZBQOSA-N 2 1 308.853 3.266 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+](C)CC(C)C)o1 ZINC000651866424 435849402 /nfs/dbraw/zinc/84/94/02/435849402.db2.gz DGZUGNJGBZMGRS-UHFFFAOYSA-N 2 1 304.438 3.046 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+](C)CC(C)C)o1 ZINC000651866424 435849410 /nfs/dbraw/zinc/84/94/10/435849410.db2.gz DGZUGNJGBZMGRS-UHFFFAOYSA-N 2 1 304.438 3.046 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000651865966 435851320 /nfs/dbraw/zinc/85/13/20/435851320.db2.gz OPUYWTTXDVHCHB-UHFFFAOYSA-N 2 1 320.506 3.341 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000651865966 435851323 /nfs/dbraw/zinc/85/13/23/435851323.db2.gz OPUYWTTXDVHCHB-UHFFFAOYSA-N 2 1 320.506 3.341 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665924 435851803 /nfs/dbraw/zinc/85/18/03/435851803.db2.gz ZKWDVJKHLDXHOA-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777321 435853140 /nfs/dbraw/zinc/85/31/40/435853140.db2.gz HZVXVUIEAZJDQT-ICSRJNTNSA-N 2 1 318.505 3.337 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000551777321 435853143 /nfs/dbraw/zinc/85/31/43/435853143.db2.gz HZVXVUIEAZJDQT-ICSRJNTNSA-N 2 1 318.505 3.337 20 0 DGADMP CC(C)CCOCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677621 435856752 /nfs/dbraw/zinc/85/67/52/435856752.db2.gz IDQGQQQULTWQGE-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000572751557 435861483 /nfs/dbraw/zinc/86/14/83/435861483.db2.gz MKLFEWJOZPCRND-YYIAUSFCSA-N 2 1 304.478 3.023 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c(C)c1 ZINC000660696034 435862930 /nfs/dbraw/zinc/86/29/30/435862930.db2.gz XKCHAOZJZCXGNK-UHFFFAOYSA-N 2 1 318.505 3.184 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000551946526 435863438 /nfs/dbraw/zinc/86/34/38/435863438.db2.gz KTIJALKUCJSYMP-GTPINHCMSA-N 2 1 324.509 3.207 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000655941333 435865384 /nfs/dbraw/zinc/86/53/84/435865384.db2.gz QNRYJRCWQGHEAW-GJZGRUSLSA-N 2 1 308.416 3.219 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000655937559 435865671 /nfs/dbraw/zinc/86/56/71/435865671.db2.gz AESWTJPFJUARMI-JQHSSLGASA-N 2 1 302.462 3.378 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000572404703 435822725 /nfs/dbraw/zinc/82/27/25/435822725.db2.gz UWMRONSRFGUTBQ-MSOLQXFVSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273721 435935711 /nfs/dbraw/zinc/93/57/11/435935711.db2.gz CIJIAFHAQUKCRS-GOEBONIOSA-N 2 1 304.482 3.088 20 0 DGADMP C[C@@H]([NH2+]CCC1(CO)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652038578 435894050 /nfs/dbraw/zinc/89/40/50/435894050.db2.gz YIMOGTNHGHAZTF-MJGOQNOKSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277102 435935988 /nfs/dbraw/zinc/93/59/88/435935988.db2.gz TXKYPOSLONIRPO-LNLFQRSKSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277102 435935991 /nfs/dbraw/zinc/93/59/91/435935991.db2.gz TXKYPOSLONIRPO-LNLFQRSKSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277102 435935994 /nfs/dbraw/zinc/93/59/94/435935994.db2.gz TXKYPOSLONIRPO-LNLFQRSKSA-N 3 1 315.505 3.004 20 0 DGADMP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000646578751 435903467 /nfs/dbraw/zinc/90/34/67/435903467.db2.gz CUYUHGTYDVOQPX-LJQANCHMSA-N 2 1 323.440 3.139 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)CNC1(c2ccccc2Cl)CCC1 ZINC000660911275 435920734 /nfs/dbraw/zinc/92/07/34/435920734.db2.gz RVUKNRXYRVUHMA-CQSZACIVSA-N 2 1 310.869 3.010 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CC2 ZINC000652222171 435926227 /nfs/dbraw/zinc/92/62/27/435926227.db2.gz GXSCQGVJZWSNJP-KRWDZBQOSA-N 2 1 320.477 3.259 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)CC2 ZINC000652222171 435926231 /nfs/dbraw/zinc/92/62/31/435926231.db2.gz GXSCQGVJZWSNJP-KRWDZBQOSA-N 2 1 320.477 3.259 20 0 DGADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250242 435929151 /nfs/dbraw/zinc/92/91/51/435929151.db2.gz LPGVDSGYBSOCKW-BMGDILEWSA-N 2 1 300.471 3.414 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000665255665 435929915 /nfs/dbraw/zinc/92/99/15/435929915.db2.gz YWUIZLYIVREJFU-HLQCWHFUSA-N 2 1 302.462 3.165 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H]2CC)cc1 ZINC000665255540 435930049 /nfs/dbraw/zinc/93/00/49/435930049.db2.gz VTQJEINZBDOOGM-QZHFEQFPSA-N 2 1 302.462 3.309 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C(C)(C)n1cncn1)C1CCCCC1 ZINC000652237795 435930838 /nfs/dbraw/zinc/93/08/38/435930838.db2.gz FFMYSIKFTIJNPN-INIZCTEOSA-N 2 1 321.513 3.036 20 0 DGADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665262266 435931975 /nfs/dbraw/zinc/93/19/75/435931975.db2.gz XJCSUCFFEIMDDU-LQAWEQHXSA-N 2 1 318.367 3.467 20 0 DGADMP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259205 435932774 /nfs/dbraw/zinc/93/27/74/435932774.db2.gz YJGYUVKAFKASOO-IARIHHJXSA-N 2 1 308.441 3.304 20 0 DGADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H](C)c1nc2ccccc2s1 ZINC000665278072 435935386 /nfs/dbraw/zinc/93/53/86/435935386.db2.gz UPIAXEFCJQFLMN-SDQNGVQFSA-N 2 1 301.459 3.130 20 0 DGADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H](C)c1nc2ccccc2s1 ZINC000665278070 435935395 /nfs/dbraw/zinc/93/53/95/435935395.db2.gz UPIAXEFCJQFLMN-IWZJZLAVSA-N 2 1 301.459 3.130 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@H]1CC[NH3+] ZINC000652356006 435959534 /nfs/dbraw/zinc/95/95/34/435959534.db2.gz PWBMPOUSLFOCFD-CJNGLKHVSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@H]1CC[NH3+] ZINC000652356006 435959538 /nfs/dbraw/zinc/95/95/38/435959538.db2.gz PWBMPOUSLFOCFD-CJNGLKHVSA-N 2 1 317.408 3.430 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCCC(F)(F)F)C1 ZINC000652363726 435959740 /nfs/dbraw/zinc/95/97/40/435959740.db2.gz MFHZJDQPBCKHLX-MCIONIFRSA-N 2 1 308.388 3.080 20 0 DGADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363379 435960000 /nfs/dbraw/zinc/96/00/00/435960000.db2.gz CPXCTYSWICPPKY-GUDVDZBRSA-N 2 1 302.462 3.110 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)C1 ZINC000650708134 435994456 /nfs/dbraw/zinc/99/44/56/435994456.db2.gz UDKCRSQLZVXBHT-ZSZQSSIHSA-N 2 1 314.429 3.151 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000647186421 435964917 /nfs/dbraw/zinc/96/49/17/435964917.db2.gz MBEHJLPFSIJLHQ-CRAIPNDOSA-N 2 1 314.429 3.179 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647200256 435972412 /nfs/dbraw/zinc/97/24/12/435972412.db2.gz ULDOVRUAJZQRCQ-IRXDYDNUSA-N 2 1 318.509 3.282 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200256 435972414 /nfs/dbraw/zinc/97/24/14/435972414.db2.gz ULDOVRUAJZQRCQ-IRXDYDNUSA-N 2 1 318.509 3.282 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708306 435994709 /nfs/dbraw/zinc/99/47/09/435994709.db2.gz XHRPSRIYFVQWGP-MDNKFWRPSA-N 2 1 316.489 3.399 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000650705552 435994856 /nfs/dbraw/zinc/99/48/56/435994856.db2.gz LFNYZMOUPXEGOO-UAGQMJEPSA-N 2 1 308.853 3.058 20 0 DGADMP CC(C)(CO)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214426 435976534 /nfs/dbraw/zinc/97/65/34/435976534.db2.gz ZDOQCZANQJRMGM-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(CO)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214426 435976537 /nfs/dbraw/zinc/97/65/37/435976537.db2.gz ZDOQCZANQJRMGM-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000650707200 435994959 /nfs/dbraw/zinc/99/49/59/435994959.db2.gz ACPYOITXYWUVGS-FJIDUMEYSA-N 2 1 308.510 3.421 20 0 DGADMP Brc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000665279216 435937874 /nfs/dbraw/zinc/93/78/74/435937874.db2.gz ZMZNIPPVUDAXMR-AJQRCPHMSA-N 2 1 321.262 3.242 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299484 435945103 /nfs/dbraw/zinc/94/51/03/435945103.db2.gz OABHLNDDHDPJAF-NZSAHSFTSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299484 435945108 /nfs/dbraw/zinc/94/51/08/435945108.db2.gz OABHLNDDHDPJAF-NZSAHSFTSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299484 435945113 /nfs/dbraw/zinc/94/51/13/435945113.db2.gz OABHLNDDHDPJAF-NZSAHSFTSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347163 435954413 /nfs/dbraw/zinc/95/44/13/435954413.db2.gz UHJOUWIZLIYLJV-AETAKHFUSA-N 2 1 306.425 3.105 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166361 435956573 /nfs/dbraw/zinc/95/65/73/435956573.db2.gz KKSOMDCRAVUAEP-SFHVURJKSA-N 2 1 302.462 3.200 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166361 435956575 /nfs/dbraw/zinc/95/65/75/435956575.db2.gz KKSOMDCRAVUAEP-SFHVURJKSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1CC[NH3+] ZINC000652354132 435957408 /nfs/dbraw/zinc/95/74/08/435957408.db2.gz NTFMGIFMJIUIEP-CJNGLKHVSA-N 2 1 323.868 3.118 20 0 DGADMP CCc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348498 435957492 /nfs/dbraw/zinc/95/74/92/435957492.db2.gz GGXTXTWSBGDFJN-ZCNNSNEGSA-N 2 1 316.489 3.010 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000650708703 435998692 /nfs/dbraw/zinc/99/86/92/435998692.db2.gz JFMBBLGUXJQPJY-ZCNNSNEGSA-N 2 1 314.473 3.282 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)[C@H]1CC[NH3+] ZINC000650710967 435998970 /nfs/dbraw/zinc/99/89/70/435998970.db2.gz DUQJIMAJIKFCIX-BBRMVZONSA-N 2 1 312.404 3.280 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)s1 ZINC000650722907 436005406 /nfs/dbraw/zinc/00/54/06/436005406.db2.gz DKIKODSSSWNSEC-BRWVUGGUSA-N 2 1 308.491 3.226 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccncc1 ZINC000647301330 436007449 /nfs/dbraw/zinc/00/74/49/436007449.db2.gz FHQMKFKGTVQFMX-IEBWSBKVSA-N 2 1 319.493 3.259 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723260 436007974 /nfs/dbraw/zinc/00/79/74/436007974.db2.gz KLCLOFZNMIAMJJ-GSEOLPGOSA-N 2 1 316.489 3.226 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723417 436008167 /nfs/dbraw/zinc/00/81/67/436008167.db2.gz NNFHLLPUCDXINA-GUDVDZBRSA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cscc2Cl)C1 ZINC000650723466 436009138 /nfs/dbraw/zinc/00/91/38/436009138.db2.gz OLLLXRZJEFUKNS-YUELXQCFSA-N 2 1 314.882 3.262 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(F)F)[C@H](C)C1 ZINC000647318326 436012918 /nfs/dbraw/zinc/01/29/18/436012918.db2.gz LZDYPSBUJDJMRO-ZNMIVQPWSA-N 2 1 306.441 3.004 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000656693400 436013123 /nfs/dbraw/zinc/01/31/23/436013123.db2.gz GFFOLMHUVHCVDB-RDJZCZTQSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000656693400 436013126 /nfs/dbraw/zinc/01/31/26/436013126.db2.gz GFFOLMHUVHCVDB-RDJZCZTQSA-N 2 1 300.446 3.192 20 0 DGADMP CCCCC[N@@H+](CCN[C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000650741502 436013729 /nfs/dbraw/zinc/01/37/29/436013729.db2.gz FQCIVSLGICIHLD-MOPGFXCFSA-N 2 1 303.494 3.148 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1 ZINC000656698952 436013877 /nfs/dbraw/zinc/01/38/77/436013877.db2.gz DFPAUIQAEILGMC-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000656698952 436013882 /nfs/dbraw/zinc/01/38/82/436013882.db2.gz DFPAUIQAEILGMC-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000656698952 436013885 /nfs/dbraw/zinc/01/38/85/436013885.db2.gz DFPAUIQAEILGMC-MOPGFXCFSA-N 2 1 304.478 3.305 20 0 DGADMP CCCCC[N@@H+](CCN[C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000650741505 436014599 /nfs/dbraw/zinc/01/45/99/436014599.db2.gz FQCIVSLGICIHLD-RTBURBONSA-N 2 1 303.494 3.148 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344097 436024645 /nfs/dbraw/zinc/02/46/45/436024645.db2.gz IXYYRVNESIYLKD-XYPHTWIQSA-N 2 1 315.486 3.448 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344097 436024646 /nfs/dbraw/zinc/02/46/46/436024646.db2.gz IXYYRVNESIYLKD-XYPHTWIQSA-N 2 1 315.486 3.448 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344605 436025463 /nfs/dbraw/zinc/02/54/63/436025463.db2.gz VIRDAADJWSEMCY-FCGDIQPGSA-N 2 1 316.489 3.125 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656783640 436042915 /nfs/dbraw/zinc/04/29/15/436042915.db2.gz SDFMUCAXKZLVEE-KRWDZBQOSA-N 2 1 320.452 3.436 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656785532 436045444 /nfs/dbraw/zinc/04/54/44/436045444.db2.gz LMMAGZRPPWNCEQ-INIZCTEOSA-N 2 1 324.415 3.500 20 0 DGADMP c1cnc2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000656784751 436046037 /nfs/dbraw/zinc/04/60/37/436046037.db2.gz GUNRQFTZXADJOL-LJQANCHMSA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000656789392 436047478 /nfs/dbraw/zinc/04/74/78/436047478.db2.gz XNCIBIDVMLQONZ-NLWGTHIKSA-N 2 1 322.452 3.288 20 0 DGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000656789394 436047518 /nfs/dbraw/zinc/04/75/18/436047518.db2.gz XNCIBIDVMLQONZ-QWFCFKBJSA-N 2 1 322.452 3.288 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788381 436048120 /nfs/dbraw/zinc/04/81/20/436048120.db2.gz MEWYVFDQEBKLDD-UHFFFAOYSA-N 2 1 312.841 3.108 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705436 435996253 /nfs/dbraw/zinc/99/62/53/435996253.db2.gz GSMVSZZKZRWJTF-QXAKKESOSA-N 2 1 302.462 3.022 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705488 435996416 /nfs/dbraw/zinc/99/64/16/435996416.db2.gz JKDAQRMLMUOVDP-OTWHNJEPSA-N 2 1 302.462 3.022 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cscc3Cl)C2)C1 ZINC000650707600 435996739 /nfs/dbraw/zinc/99/67/39/435996739.db2.gz JCZPWOWIXVTYSZ-UXIGCNINSA-N 2 1 314.882 3.120 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479818 436059018 /nfs/dbraw/zinc/05/90/18/436059018.db2.gz VXAZBDDLXFDTFX-KDOFPFPSSA-N 2 1 314.429 3.405 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000647479818 436059023 /nfs/dbraw/zinc/05/90/23/436059023.db2.gz VXAZBDDLXFDTFX-KDOFPFPSSA-N 2 1 314.429 3.405 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000647479967 436059433 /nfs/dbraw/zinc/05/94/33/436059433.db2.gz ZJSGKIZTRWCKGO-SJLPKXTDSA-N 2 1 314.473 3.364 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480473 436061336 /nfs/dbraw/zinc/06/13/36/436061336.db2.gz OOJLKXOQLFEKSO-HOTGVXAUSA-N 2 1 320.502 3.381 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1SC ZINC000647480473 436061343 /nfs/dbraw/zinc/06/13/43/436061343.db2.gz OOJLKXOQLFEKSO-HOTGVXAUSA-N 2 1 320.502 3.381 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480405 436061485 /nfs/dbraw/zinc/06/14/85/436061485.db2.gz MJJZCKOZLNQJQN-HKUYNNGSSA-N 2 1 324.472 3.349 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647498421 436065952 /nfs/dbraw/zinc/06/59/52/436065952.db2.gz GWQZDHCDEZNVGQ-MLGOLLRUSA-N 2 1 318.852 3.289 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cccc1OCC ZINC000647498810 436066463 /nfs/dbraw/zinc/06/64/63/436066463.db2.gz RGLMXRVERAGGJR-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cccc1OCC ZINC000647498810 436066465 /nfs/dbraw/zinc/06/64/65/436066465.db2.gz RGLMXRVERAGGJR-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498852 436066604 /nfs/dbraw/zinc/06/66/04/436066604.db2.gz SDRKLBXBVFNPQG-PBHICJAKSA-N 2 1 318.852 3.085 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498852 436066606 /nfs/dbraw/zinc/06/66/06/436066606.db2.gz SDRKLBXBVFNPQG-PBHICJAKSA-N 2 1 318.852 3.085 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000647498771 436066629 /nfs/dbraw/zinc/06/66/29/436066629.db2.gz QFUJYPVRLXMFRR-LIRRHRJNSA-N 2 1 313.420 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000647498771 436066631 /nfs/dbraw/zinc/06/66/31/436066631.db2.gz QFUJYPVRLXMFRR-LIRRHRJNSA-N 2 1 313.420 3.447 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@H]1[NH3+] ZINC000647497623 436067070 /nfs/dbraw/zinc/06/70/70/436067070.db2.gz NZTDEIPYYXBZPX-RHSMWYFYSA-N 2 1 304.482 3.027 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@H]1[NH3+] ZINC000647497623 436067072 /nfs/dbraw/zinc/06/70/72/436067072.db2.gz NZTDEIPYYXBZPX-RHSMWYFYSA-N 2 1 304.482 3.027 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497622 436067197 /nfs/dbraw/zinc/06/71/97/436067197.db2.gz NZTDEIPYYXBZPX-PBHICJAKSA-N 2 1 304.482 3.027 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497622 436067199 /nfs/dbraw/zinc/06/71/99/436067199.db2.gz NZTDEIPYYXBZPX-PBHICJAKSA-N 2 1 304.482 3.027 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498353 436067394 /nfs/dbraw/zinc/06/73/94/436067394.db2.gz FXPQVSWRKMZEOC-IRXDYDNUSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OCC ZINC000647498353 436067401 /nfs/dbraw/zinc/06/74/01/436067401.db2.gz FXPQVSWRKMZEOC-IRXDYDNUSA-N 2 1 320.477 3.433 20 0 DGADMP C[C@@H](C[NH+]1CCC(C)([NH3+])CC1)c1cccc(Br)c1 ZINC000647531180 436074125 /nfs/dbraw/zinc/07/41/25/436074125.db2.gz FSPMBFKTPPVCMF-LBPRGKRZSA-N 2 1 311.267 3.366 20 0 DGADMP c1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647542726 436077077 /nfs/dbraw/zinc/07/70/77/436077077.db2.gz AUWWZIGFKXVZAR-OALUTQOASA-N 2 1 309.457 3.446 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543616 436077579 /nfs/dbraw/zinc/07/75/79/436077579.db2.gz QIGFNZWEMVIDBK-SJORKVTESA-N 2 1 320.452 3.436 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543620 436077622 /nfs/dbraw/zinc/07/76/22/436077622.db2.gz QIMSUQYAIKRLIN-JKSUJKDBSA-N 2 1 306.425 3.046 20 0 DGADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543179 436079096 /nfs/dbraw/zinc/07/90/96/436079096.db2.gz IUDIXZXTJMEFQN-ROUUACIJSA-N 2 1 324.472 3.084 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543270 436079373 /nfs/dbraw/zinc/07/93/73/436079373.db2.gz KETJNHSQLKMPAH-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000647549726 436080350 /nfs/dbraw/zinc/08/03/50/436080350.db2.gz OGYRFYLWQLCLHK-QWHCGFSZSA-N 2 1 323.278 3.068 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000647544405 436080526 /nfs/dbraw/zinc/08/05/26/436080526.db2.gz ZZRAIQXYXVVKFF-QZTJIDSGSA-N 2 1 324.472 3.288 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000647551527 436083718 /nfs/dbraw/zinc/08/37/18/436083718.db2.gz TVOLUKSXSOAAAO-HUBLWGQQSA-N 2 1 300.368 3.397 20 0 DGADMP CC(C)n1ccnc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657313402 436132456 /nfs/dbraw/zinc/13/24/56/436132456.db2.gz QHYOKIDGCIKGKZ-CALCHBBNSA-N 2 1 306.498 3.312 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CO1 ZINC000657313277 436132909 /nfs/dbraw/zinc/13/29/09/436132909.db2.gz IKKDXJWJCAYFHD-OALUTQOASA-N 2 1 302.462 3.117 20 0 DGADMP C[C@H]1C[C@H]1c1ccc(CNCc2ccnn2-c2ccncc2)o1 ZINC000657317970 436134106 /nfs/dbraw/zinc/13/41/06/436134106.db2.gz GPGLDPBCCYFQSW-SUMWQHHRSA-N 2 1 308.385 3.274 20 0 DGADMP COc1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000647873363 436138972 /nfs/dbraw/zinc/13/89/72/436138972.db2.gz ARNUFBVVZWOJSJ-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884364 436140311 /nfs/dbraw/zinc/14/03/11/436140311.db2.gz HRHYRSGKAWNBBQ-SFHVURJKSA-N 2 1 322.880 3.493 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884364 436140314 /nfs/dbraw/zinc/14/03/14/436140314.db2.gz HRHYRSGKAWNBBQ-SFHVURJKSA-N 2 1 322.880 3.493 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000666082854 436141000 /nfs/dbraw/zinc/14/10/00/436141000.db2.gz KBLUVGCDAXDEOJ-OWCLPIDISA-N 2 1 304.865 3.414 20 0 DGADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](c2ccccc2)O1 ZINC000647882224 436141305 /nfs/dbraw/zinc/14/13/05/436141305.db2.gz XXHMCKXZOOZARF-QFBILLFUSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647879487 436141331 /nfs/dbraw/zinc/14/13/31/436141331.db2.gz AHRMWACOUKZTEB-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647888170 436142012 /nfs/dbraw/zinc/14/20/12/436142012.db2.gz WMEBLTAMBYXAJG-CABCVRRESA-N 2 1 322.880 3.213 20 0 DGADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1nc(C(F)(F)F)cs1 ZINC000647890714 436143247 /nfs/dbraw/zinc/14/32/47/436143247.db2.gz IWDDOIOYYLYPHD-UHFFFAOYSA-N 2 1 321.412 3.374 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nc(C(F)(F)F)cs1 ZINC000647890714 436143253 /nfs/dbraw/zinc/14/32/53/436143253.db2.gz IWDDOIOYYLYPHD-UHFFFAOYSA-N 2 1 321.412 3.374 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647936855 436152382 /nfs/dbraw/zinc/15/23/82/436152382.db2.gz MENJGEGDOWDFND-WFASDCNBSA-N 2 1 316.367 3.143 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000647789330 436118870 /nfs/dbraw/zinc/11/88/70/436118870.db2.gz ARPSCQAGQAQFCB-IYWMVGAKSA-N 3 1 319.537 3.009 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1CC1CCCCC1 ZINC000647789330 436118873 /nfs/dbraw/zinc/11/88/73/436118873.db2.gz ARPSCQAGQAQFCB-IYWMVGAKSA-N 2 1 319.537 3.009 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790372 436120615 /nfs/dbraw/zinc/12/06/15/436120615.db2.gz XBGYLVZXDJYZFQ-XUVXKRRUSA-N 3 1 315.505 3.005 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2ccc(F)cc2)cc1 ZINC000647800553 436122255 /nfs/dbraw/zinc/12/22/55/436122255.db2.gz FGPHOKHZQIHNGN-OALUTQOASA-N 2 1 314.404 3.374 20 0 DGADMP FC(F)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000647797116 436122845 /nfs/dbraw/zinc/12/28/45/436122845.db2.gz ZFZGBDRUAGASNS-YWPYICTPSA-N 2 1 314.807 3.410 20 0 DGADMP Clc1cccc(OCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000647956632 436157762 /nfs/dbraw/zinc/15/77/62/436157762.db2.gz RFHPQPVVGSFBLY-QGZVFWFLSA-N 2 1 308.853 3.184 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657356105 436155088 /nfs/dbraw/zinc/15/50/88/436155088.db2.gz IEJKUBRBRDJXJI-ACBHZAAOSA-N 2 1 308.510 3.172 20 0 DGADMP C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)CC1CCOCC1 ZINC000647978528 436167398 /nfs/dbraw/zinc/16/73/98/436167398.db2.gz TZNPGPYMFNQKRC-MOPGFXCFSA-N 2 1 308.510 3.295 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000647973974 436163724 /nfs/dbraw/zinc/16/37/24/436163724.db2.gz MVWKVBKILKETEP-GOEBONIOSA-N 2 1 312.379 3.322 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977663 436167706 /nfs/dbraw/zinc/16/77/06/436167706.db2.gz FWPUQSJPRDVRBT-RBUKOAKNSA-N 2 1 316.489 3.339 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657397189 436179781 /nfs/dbraw/zinc/17/97/81/436179781.db2.gz SLZKPRFAACMHRV-CQSZACIVSA-N 2 1 321.428 3.174 20 0 DGADMP C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000661767767 436184164 /nfs/dbraw/zinc/18/41/64/436184164.db2.gz QGFSGUJRPYKDAJ-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1NCc1c[nH+]c2n1CCC2 ZINC000657411102 436186362 /nfs/dbraw/zinc/18/63/62/436186362.db2.gz BNHOMJOTESOBMI-UHFFFAOYSA-N 2 1 310.445 3.346 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)CCc2noc3ccccc32)CC1 ZINC000653534193 436197529 /nfs/dbraw/zinc/19/75/29/436197529.db2.gz BWUQNFDNFIOZKX-UHFFFAOYSA-N 2 1 301.434 3.175 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2noc3ccccc32)CC1 ZINC000653534193 436197536 /nfs/dbraw/zinc/19/75/36/436197536.db2.gz BWUQNFDNFIOZKX-UHFFFAOYSA-N 2 1 301.434 3.175 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC2(CCCC2)O1 ZINC000648077460 436205609 /nfs/dbraw/zinc/20/56/09/436205609.db2.gz QZYFYPLJWXKUFU-AWEZNQCLSA-N 2 1 317.458 3.467 20 0 DGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1noc2ccccc12 ZINC000653565395 436209082 /nfs/dbraw/zinc/20/90/82/436209082.db2.gz KIRFCDXCEMBGFR-HNNXBMFYSA-N 2 1 310.401 3.040 20 0 DGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1noc2ccccc12 ZINC000653565395 436209087 /nfs/dbraw/zinc/20/90/87/436209087.db2.gz KIRFCDXCEMBGFR-HNNXBMFYSA-N 2 1 310.401 3.040 20 0 DGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1noc2ccccc12 ZINC000653565396 436209393 /nfs/dbraw/zinc/20/93/93/436209393.db2.gz KIRFCDXCEMBGFR-OAHLLOKOSA-N 2 1 310.401 3.040 20 0 DGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1noc2ccccc12 ZINC000653565396 436209398 /nfs/dbraw/zinc/20/93/98/436209398.db2.gz KIRFCDXCEMBGFR-OAHLLOKOSA-N 2 1 310.401 3.040 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3c(F)cccc3F)CC[C@@H]21 ZINC000653570303 436209780 /nfs/dbraw/zinc/20/97/80/436209780.db2.gz IZZQNHUMUSLHCQ-KDOFPFPSSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3c(F)cccc3F)CC[C@@H]21 ZINC000653570303 436209783 /nfs/dbraw/zinc/20/97/83/436209783.db2.gz IZZQNHUMUSLHCQ-KDOFPFPSSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3c(F)cccc3F)CC[C@@H]21 ZINC000653570303 436209784 /nfs/dbraw/zinc/20/97/84/436209784.db2.gz IZZQNHUMUSLHCQ-KDOFPFPSSA-N 2 1 308.416 3.314 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855364 436295386 /nfs/dbraw/zinc/29/53/86/436295386.db2.gz NTLCZYPBCANJER-LBPRGKRZSA-N 2 1 303.233 3.234 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000657561327 436244785 /nfs/dbraw/zinc/24/47/85/436244785.db2.gz FSYRSMQZYPTRSQ-NZSAHSFTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000657561327 436244790 /nfs/dbraw/zinc/24/47/90/436244790.db2.gz FSYRSMQZYPTRSQ-NZSAHSFTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561327 436244794 /nfs/dbraw/zinc/24/47/94/436244794.db2.gz FSYRSMQZYPTRSQ-NZSAHSFTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561327 436244800 /nfs/dbraw/zinc/24/48/00/436244800.db2.gz FSYRSMQZYPTRSQ-NZSAHSFTSA-N 2 1 315.505 3.112 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)C1 ZINC000657594935 436256618 /nfs/dbraw/zinc/25/66/18/436256618.db2.gz LIPWLVDACULNSF-PAKAJVGYSA-N 2 1 322.452 3.056 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596171 436257100 /nfs/dbraw/zinc/25/71/00/436257100.db2.gz LVRDJLDKEJPZBE-MNEFBYGVSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000657666260 436271809 /nfs/dbraw/zinc/27/18/09/436271809.db2.gz NSVAELGINFWKSE-PXNSSMCTSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000657665857 436272120 /nfs/dbraw/zinc/27/21/20/436272120.db2.gz QQSVKLSGHSDVNG-LPHOPBHVSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CN(C)C1CC1)C(C)C ZINC000662107453 436275890 /nfs/dbraw/zinc/27/58/90/436275890.db2.gz RATGZOPDBGRBOT-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107453 436275892 /nfs/dbraw/zinc/27/58/92/436275892.db2.gz RATGZOPDBGRBOT-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107453 436275894 /nfs/dbraw/zinc/27/58/94/436275894.db2.gz RATGZOPDBGRBOT-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000662107453 436275896 /nfs/dbraw/zinc/27/58/96/436275896.db2.gz RATGZOPDBGRBOT-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000662107453 436275902 /nfs/dbraw/zinc/27/59/02/436275902.db2.gz RATGZOPDBGRBOT-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770564 436278920 /nfs/dbraw/zinc/27/89/20/436278920.db2.gz JOOXSGBQXUICPX-SWLSCSKDSA-N 2 1 300.368 3.368 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)C1 ZINC000657974841 436349650 /nfs/dbraw/zinc/34/96/50/436349650.db2.gz UYJDTEMACUCVBC-NXHRZFHOSA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)C1 ZINC000657974841 436349651 /nfs/dbraw/zinc/34/96/51/436349651.db2.gz UYJDTEMACUCVBC-NXHRZFHOSA-N 2 1 322.880 3.022 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657997319 436351797 /nfs/dbraw/zinc/35/17/97/436351797.db2.gz BQDLNAMONUMODK-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000666872566 436300076 /nfs/dbraw/zinc/30/00/76/436300076.db2.gz XPSYDUXNUKYUOW-IJEWVQPXSA-N 2 1 306.450 3.103 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)cc1 ZINC000662216717 436302944 /nfs/dbraw/zinc/30/29/44/436302944.db2.gz NEZKFJAMXCSPNR-JJTKIYQPSA-N 2 1 300.446 3.060 20 0 DGADMP COc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000657778376 436303280 /nfs/dbraw/zinc/30/32/80/436303280.db2.gz GFLXQBRJWBIKMS-IAGOWNOFSA-N 2 1 300.446 3.291 20 0 DGADMP c1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000662255148 436312448 /nfs/dbraw/zinc/31/24/48/436312448.db2.gz AIELQBGTKSFILC-MSOLQXFVSA-N 2 1 302.487 3.192 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662258686 436313198 /nfs/dbraw/zinc/31/31/98/436313198.db2.gz ZBPHIXKTYGKWKS-GBESFXJTSA-N 2 1 314.473 3.084 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662258277 436313677 /nfs/dbraw/zinc/31/36/77/436313677.db2.gz VFVGAVDLCHOGDP-HKUYNNGSSA-N 2 1 314.473 3.351 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000662254378 436314201 /nfs/dbraw/zinc/31/42/01/436314201.db2.gz PSGFSRCKVAPNKY-KKSFZXQISA-N 2 1 322.452 3.294 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255865 436314311 /nfs/dbraw/zinc/31/43/11/436314311.db2.gz FOERTWKOKIQHIH-VBQJREDUSA-N 2 1 322.880 3.285 20 0 DGADMP c1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252196 436314459 /nfs/dbraw/zinc/31/44/59/436314459.db2.gz LXQPAMOAAKAHOG-QZTJIDSGSA-N 2 1 300.446 3.125 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000662250984 436314845 /nfs/dbraw/zinc/31/48/45/436314845.db2.gz UUWQRYMKDLWYOF-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000662264776 436316892 /nfs/dbraw/zinc/31/68/92/436316892.db2.gz LNZBQZKEFNCVGU-YJBOKZPZSA-N 2 1 320.502 3.251 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968956 436317260 /nfs/dbraw/zinc/31/72/60/436317260.db2.gz NOVXHSGFMOCGAE-JFIYKMOQSA-N 2 1 300.446 3.017 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000662264760 436317554 /nfs/dbraw/zinc/31/75/54/436317554.db2.gz KWWKUUHPHKVQIY-ZBFHGGJFSA-N 2 1 315.486 3.303 20 0 DGADMP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270409 436319143 /nfs/dbraw/zinc/31/91/43/436319143.db2.gz KMWKDAIWQDFGNJ-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)co1 ZINC000662270409 436319145 /nfs/dbraw/zinc/31/91/45/436319145.db2.gz KMWKDAIWQDFGNJ-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000662274389 436321081 /nfs/dbraw/zinc/32/10/81/436321081.db2.gz SVBWJDNPMZCFIA-GBESFXJTSA-N 2 1 302.462 3.086 20 0 DGADMP COc1ccc2oc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC000666995578 436321553 /nfs/dbraw/zinc/32/15/53/436321553.db2.gz SJNCNLHOPLNPOQ-CQSZACIVSA-N 2 1 300.402 3.206 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998272 436321875 /nfs/dbraw/zinc/32/18/75/436321875.db2.gz KSKYFJKOGGSQTG-CYBMUJFWSA-N 2 1 314.351 3.350 20 0 DGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662273337 436322411 /nfs/dbraw/zinc/32/24/11/436322411.db2.gz MEQKFDQEPUAESG-GOSISDBHSA-N 2 1 316.489 3.171 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662283305 436323393 /nfs/dbraw/zinc/32/33/93/436323393.db2.gz HGPYHCAFJIUJGL-LXTVHRRPSA-N 2 1 304.425 3.029 20 0 DGADMP COc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1Cl ZINC000662283101 436324473 /nfs/dbraw/zinc/32/44/73/436324473.db2.gz KYZTVWNOMGYRFW-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cccc(SCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000662282394 436324763 /nfs/dbraw/zinc/32/47/63/436324763.db2.gz HAJOJTVHZLQRMP-OAHLLOKOSA-N 2 1 320.502 3.251 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccc(C)cc3C2)cc1 ZINC000662298256 436325386 /nfs/dbraw/zinc/32/53/86/436325386.db2.gz ATUGZROGDFMTDS-IBGZPJMESA-N 2 1 310.441 3.104 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657844584 436325546 /nfs/dbraw/zinc/32/55/46/436325546.db2.gz IDAZJRYCJOVBOC-QGZVFWFLSA-N 2 1 324.896 3.098 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)noc2c1 ZINC000662295910 436325741 /nfs/dbraw/zinc/32/57/41/436325741.db2.gz WTVLZVLEYKQIKU-MRXNPFEDSA-N 2 1 313.445 3.082 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662298815 436326689 /nfs/dbraw/zinc/32/66/89/436326689.db2.gz HJMZADUFTIIULG-UHFFFAOYSA-N 2 1 317.436 3.372 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662298815 436326693 /nfs/dbraw/zinc/32/66/93/436326693.db2.gz HJMZADUFTIIULG-UHFFFAOYSA-N 2 1 317.436 3.372 20 0 DGADMP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1Br ZINC000667030397 436328672 /nfs/dbraw/zinc/32/86/72/436328672.db2.gz YHXKYEPMQLWMMP-STQMWFEESA-N 2 1 311.267 3.235 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000667039543 436328683 /nfs/dbraw/zinc/32/86/83/436328683.db2.gz VMNMOHAETYDYNK-YQQAZPJKSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)[C@@H]1CCC[NH3+] ZINC000662312932 436328824 /nfs/dbraw/zinc/32/88/24/436328824.db2.gz HVFFAAONGHTLFK-CRAIPNDOSA-N 2 1 302.462 3.003 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000667039548 436328985 /nfs/dbraw/zinc/32/89/85/436328985.db2.gz VMNMOHAETYDYNK-ZOBUZTSGSA-N 2 1 320.477 3.289 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662318153 436329346 /nfs/dbraw/zinc/32/93/46/436329346.db2.gz WLZWWLZKRRCOAT-FQEVSTJZSA-N 2 1 321.468 3.043 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000662324560 436330044 /nfs/dbraw/zinc/33/00/44/436330044.db2.gz YGNMKMPHDSOJAQ-CQSZACIVSA-N 2 1 306.454 3.056 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000662324560 436330049 /nfs/dbraw/zinc/33/00/49/436330049.db2.gz YGNMKMPHDSOJAQ-CQSZACIVSA-N 2 1 306.454 3.056 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC000662326284 436330553 /nfs/dbraw/zinc/33/05/53/436330553.db2.gz QJNFUIDQRGSZGW-IBGZPJMESA-N 2 1 302.462 3.107 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCO1 ZINC000662326284 436330557 /nfs/dbraw/zinc/33/05/57/436330557.db2.gz QJNFUIDQRGSZGW-IBGZPJMESA-N 2 1 302.462 3.107 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325809 436330824 /nfs/dbraw/zinc/33/08/24/436330824.db2.gz QCKZWHMHWDCXQV-HKUYNNGSSA-N 2 1 320.452 3.246 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000662325809 436330827 /nfs/dbraw/zinc/33/08/27/436330827.db2.gz QCKZWHMHWDCXQV-HKUYNNGSSA-N 2 1 320.452 3.246 20 0 DGADMP CCC(CC)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326908 436330999 /nfs/dbraw/zinc/33/09/99/436330999.db2.gz HBTOWKAAPHSKPU-UHFFFAOYSA-N 2 1 318.509 3.492 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658058116 436361037 /nfs/dbraw/zinc/36/10/37/436361037.db2.gz CLPGZXDGLZIXGO-CMTQZCSUSA-N 2 1 316.489 3.302 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658058116 436361039 /nfs/dbraw/zinc/36/10/39/436361039.db2.gz CLPGZXDGLZIXGO-CMTQZCSUSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662621724 436370563 /nfs/dbraw/zinc/37/05/63/436370563.db2.gz JMDYZZLTKINPDO-IAGOWNOFSA-N 2 1 323.525 3.053 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658087171 436370681 /nfs/dbraw/zinc/37/06/81/436370681.db2.gz QWAXLKBTFWDRRM-MHJFOBGBSA-N 2 1 316.489 3.180 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658164542 436392591 /nfs/dbraw/zinc/39/25/91/436392591.db2.gz XGVHBXUYKWVSPD-CCQCEHTISA-N 2 1 314.473 3.339 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658328827 436430740 /nfs/dbraw/zinc/43/07/40/436430740.db2.gz CCXMPEOFQXUPGT-UHOSZYNNSA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658332962 436433012 /nfs/dbraw/zinc/43/30/12/436433012.db2.gz UWLWWAWDVMAVEH-GMNCBBECSA-N 2 1 302.462 3.197 20 0 DGADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n(-c2ccccc2)n1 ZINC000663343673 436442074 /nfs/dbraw/zinc/44/20/74/436442074.db2.gz AUQADLNTXWPVHS-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n(-c2ccccc2)n1 ZINC000663343673 436442078 /nfs/dbraw/zinc/44/20/78/436442078.db2.gz AUQADLNTXWPVHS-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1F ZINC000663344084 436442220 /nfs/dbraw/zinc/44/22/20/436442220.db2.gz NMCGQHPODHEPHO-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1F ZINC000663344084 436442223 /nfs/dbraw/zinc/44/22/23/436442223.db2.gz NMCGQHPODHEPHO-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344557 436442313 /nfs/dbraw/zinc/44/23/13/436442313.db2.gz AMUWMCNCWCQEIL-CRAIPNDOSA-N 2 1 304.453 3.468 20 0 DGADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466352 436464109 /nfs/dbraw/zinc/46/41/09/436464109.db2.gz RMFCDRYHMSRIDG-OXJNMPFZSA-N 2 1 314.473 3.481 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn[nH]c1 ZINC000658319293 436428233 /nfs/dbraw/zinc/42/82/33/436428233.db2.gz ZAIZTQCYGMOMRS-LPHOPBHVSA-N 2 1 324.472 3.363 20 0 DGADMP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H]([NH+](C)C)CC2)[nH+]1 ZINC000663843495 436516928 /nfs/dbraw/zinc/51/69/28/436516928.db2.gz LTRWFLYGULRSNI-CYBMUJFWSA-N 2 1 301.356 3.329 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000663504249 436472231 /nfs/dbraw/zinc/47/22/31/436472231.db2.gz WVPMRYOUBJMWMB-QWHCGFSZSA-N 2 1 323.278 3.461 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC000655021164 436487191 /nfs/dbraw/zinc/48/71/91/436487191.db2.gz CNVFUJIVUFNPHA-UHFFFAOYSA-N 2 1 317.477 3.199 20 0 DGADMP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459436397 301842280 /nfs/dbraw/zinc/84/22/80/301842280.db2.gz XXRBIGNINWCXAA-VQTJNVASSA-N 2 1 314.473 3.432 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nsc4ccccc43)CC[C@@H]21 ZINC000660010642 436577617 /nfs/dbraw/zinc/57/76/17/436577617.db2.gz KOIYPFGIVDGGGP-PBHICJAKSA-N 2 1 315.486 3.255 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3nsc4ccccc43)CC[C@@H]21 ZINC000660010642 436577620 /nfs/dbraw/zinc/57/76/20/436577620.db2.gz KOIYPFGIVDGGGP-PBHICJAKSA-N 2 1 315.486 3.255 20 0 DGADMP COc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)on1 ZINC000660008116 436578940 /nfs/dbraw/zinc/57/89/40/436578940.db2.gz SJEROXZOKCCDLR-OAHLLOKOSA-N 2 1 321.465 3.160 20 0 DGADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)on1 ZINC000660008116 436578942 /nfs/dbraw/zinc/57/89/42/436578942.db2.gz SJEROXZOKCCDLR-OAHLLOKOSA-N 2 1 321.465 3.160 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CS1 ZINC000655691031 436575366 /nfs/dbraw/zinc/57/53/66/436575366.db2.gz BOMREWDBHLADIA-MAUKXSAKSA-N 2 1 304.503 3.309 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CS1 ZINC000655691031 436575370 /nfs/dbraw/zinc/57/53/70/436575370.db2.gz BOMREWDBHLADIA-MAUKXSAKSA-N 2 1 304.503 3.309 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660157618 436597330 /nfs/dbraw/zinc/59/73/30/436597330.db2.gz VEAVHELMTIVXQL-CEXWTWQISA-N 2 1 321.553 3.161 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000660166907 436598496 /nfs/dbraw/zinc/59/84/96/436598496.db2.gz ILXWBWLLQJQKNI-MRXNPFEDSA-N 2 1 302.462 3.359 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000660177620 436599499 /nfs/dbraw/zinc/59/94/99/436599499.db2.gz DEGGAHBLPIIRSI-AAEUAGOBSA-N 2 1 319.276 3.345 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194234 436602520 /nfs/dbraw/zinc/60/25/20/436602520.db2.gz GPLYQMFDCZMSHV-HOCLYGCPSA-N 2 1 310.507 3.150 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000660305300 436620943 /nfs/dbraw/zinc/62/09/43/436620943.db2.gz KCUWGXLQKKDRML-LSTHTHJFSA-N 2 1 316.489 3.302 20 0 DGADMP CC1CC[NH+](Cc2ccc(-c3noc(C[NH+](C)C)n3)cc2)CC1 ZINC000350639762 312929611 /nfs/dbraw/zinc/92/96/11/312929611.db2.gz XZJZYKLWFQLIRA-UHFFFAOYSA-N 2 1 314.433 3.030 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529531623 313218318 /nfs/dbraw/zinc/21/83/18/313218318.db2.gz OYGXZLOFOPMHCQ-GOSISDBHSA-N 2 1 315.461 3.101 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CC2(C)C)c1 ZINC000530230105 313343688 /nfs/dbraw/zinc/34/36/88/313343688.db2.gz CXHFOHKCBFRJGP-CRAIPNDOSA-N 2 1 302.462 3.120 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931904 313502573 /nfs/dbraw/zinc/50/25/73/313502573.db2.gz GDFBEUYJNAUDBG-HRCADAONSA-N 2 1 309.523 3.061 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)cc(C)n1 ZINC000538570063 313868779 /nfs/dbraw/zinc/86/87/79/313868779.db2.gz MHGYPHNRKQSBSD-LPHOPBHVSA-N 2 1 319.493 3.389 20 0 DGADMP CCOC1CC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000541216004 314000382 /nfs/dbraw/zinc/00/03/82/314000382.db2.gz OIJCETCYSFJQGV-HSFDUWRESA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCOCC1 ZINC000542826988 314101626 /nfs/dbraw/zinc/10/16/26/314101626.db2.gz QPRBITNDEAUUCH-IEZWGBDMSA-N 2 1 308.510 3.434 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000543014693 314110028 /nfs/dbraw/zinc/11/00/28/314110028.db2.gz IWTAWUBBEHTFNU-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCO1 ZINC000543405373 314131054 /nfs/dbraw/zinc/13/10/54/314131054.db2.gz QBQQDKRVLXFQBF-DSJDWBEOSA-N 2 1 316.489 3.300 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000546016228 314284823 /nfs/dbraw/zinc/28/48/23/314284823.db2.gz YSGFJQVXOYRRNY-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546016228 314284825 /nfs/dbraw/zinc/28/48/25/314284825.db2.gz YSGFJQVXOYRRNY-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546016228 314284829 /nfs/dbraw/zinc/28/48/29/314284829.db2.gz YSGFJQVXOYRRNY-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000547508179 314374510 /nfs/dbraw/zinc/37/45/10/314374510.db2.gz HUATUYDMVWMBDP-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000547508179 314374513 /nfs/dbraw/zinc/37/45/13/314374513.db2.gz HUATUYDMVWMBDP-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000555511922 314726081 /nfs/dbraw/zinc/72/60/81/314726081.db2.gz YTBCERXXPVPCCG-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1(C)C ZINC000562525146 315027211 /nfs/dbraw/zinc/02/72/11/315027211.db2.gz BBXIVNXLFAIGDV-IBGZPJMESA-N 2 1 315.505 3.143 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000564452784 315176890 /nfs/dbraw/zinc/17/68/90/315176890.db2.gz JBFSGGHBLOLAGI-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000564690518 315192026 /nfs/dbraw/zinc/19/20/26/315192026.db2.gz VWRGIUXWFBDIIG-BBWFWOEESA-N 2 1 301.478 3.130 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000564822696 315202998 /nfs/dbraw/zinc/20/29/98/315202998.db2.gz KZBPLYINHACPRV-SNVBAGLBSA-N 2 1 303.219 3.238 20 0 DGADMP CCOc1cccc(Cl)c1C[N@@H+](C)CCCn1ccnc1 ZINC000565154392 315234954 /nfs/dbraw/zinc/23/49/54/315234954.db2.gz ATORJKXJPAONRC-UHFFFAOYSA-N 2 1 307.825 3.457 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000565437702 315261915 /nfs/dbraw/zinc/26/19/15/315261915.db2.gz YCLUJTJOEVLILC-ZWKOTPCHSA-N 2 1 300.446 3.084 20 0 DGADMP COCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604483 315274472 /nfs/dbraw/zinc/27/44/72/315274472.db2.gz UJHBGVPOZUUUPD-HOCLYGCPSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000565604483 315274474 /nfs/dbraw/zinc/27/44/74/315274474.db2.gz UJHBGVPOZUUUPD-HOCLYGCPSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565604483 315274477 /nfs/dbraw/zinc/27/44/77/315274477.db2.gz UJHBGVPOZUUUPD-HOCLYGCPSA-N 2 1 310.507 3.235 20 0 DGADMP COCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000565604483 315274480 /nfs/dbraw/zinc/27/44/80/315274480.db2.gz UJHBGVPOZUUUPD-HOCLYGCPSA-N 2 1 310.507 3.235 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccoc1 ZINC000565710240 315281448 /nfs/dbraw/zinc/28/14/48/315281448.db2.gz ZRSWHHPGEUNAEV-RPVQJOFSSA-N 2 1 302.393 3.463 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983424 315301840 /nfs/dbraw/zinc/30/18/40/315301840.db2.gz IYRYSGPLQHKTHW-WMLDXEAASA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983424 315301843 /nfs/dbraw/zinc/30/18/43/315301843.db2.gz IYRYSGPLQHKTHW-WMLDXEAASA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983424 315301846 /nfs/dbraw/zinc/30/18/46/315301846.db2.gz IYRYSGPLQHKTHW-WMLDXEAASA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000565983424 315301848 /nfs/dbraw/zinc/30/18/48/315301848.db2.gz IYRYSGPLQHKTHW-WMLDXEAASA-N 2 1 310.844 3.438 20 0 DGADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000566091177 315311703 /nfs/dbraw/zinc/31/17/03/315311703.db2.gz WHGXXHRSFXMYIS-IEBWSBKVSA-N 2 1 320.440 3.188 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000566411740 315342330 /nfs/dbraw/zinc/34/23/30/315342330.db2.gz JOMDAPWGZYHUJX-DOTOQJQBSA-N 2 1 320.440 3.337 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCc1c[nH+]cn1C ZINC000574389866 315961170 /nfs/dbraw/zinc/96/11/70/315961170.db2.gz ZDUSIHABFJWXJB-GOSISDBHSA-N 2 1 308.429 3.420 20 0 DGADMP CC(C)c1[nH+]c(CNC(C)(C)C[NH+]2CCCC2)c2ccccn21 ZINC000575993586 316083705 /nfs/dbraw/zinc/08/37/05/316083705.db2.gz FOEMUWQRDXYPBE-UHFFFAOYSA-N 2 1 314.477 3.422 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000576382144 316124614 /nfs/dbraw/zinc/12/46/14/316124614.db2.gz WHKROYAZXMCAGL-QAPCUYQASA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000576382144 316124619 /nfs/dbraw/zinc/12/46/19/316124619.db2.gz WHKROYAZXMCAGL-QAPCUYQASA-N 2 1 304.478 3.263 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000576486067 316135855 /nfs/dbraw/zinc/13/58/55/316135855.db2.gz ALFNETZZUZFPRT-QZTJIDSGSA-N 2 1 302.462 3.306 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506657 316137540 /nfs/dbraw/zinc/13/75/40/316137540.db2.gz SEGCVURRSQIFGV-ROUUACIJSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506657 316137544 /nfs/dbraw/zinc/13/75/44/316137544.db2.gz SEGCVURRSQIFGV-ROUUACIJSA-N 2 1 304.478 3.127 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C)O ZINC000576696730 316157972 /nfs/dbraw/zinc/15/79/72/316157972.db2.gz PAPUBGTWEVILBO-CVEARBPZSA-N 2 1 304.478 3.310 20 0 DGADMP Cn1cncc1CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000576815280 316169650 /nfs/dbraw/zinc/16/96/50/316169650.db2.gz RXHODVKSZJHRCT-UHFFFAOYSA-N 2 1 321.428 3.018 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000576815280 316169656 /nfs/dbraw/zinc/16/96/56/316169656.db2.gz RXHODVKSZJHRCT-UHFFFAOYSA-N 2 1 321.428 3.018 20 0 DGADMP COc1cc(C)ccc1[C@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576895586 316179958 /nfs/dbraw/zinc/17/99/58/316179958.db2.gz CECGPTKGDBADMJ-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000576895586 316179964 /nfs/dbraw/zinc/17/99/64/316179964.db2.gz CECGPTKGDBADMJ-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000576895586 316179967 /nfs/dbraw/zinc/17/99/67/316179967.db2.gz CECGPTKGDBADMJ-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576895586 316179970 /nfs/dbraw/zinc/17/99/70/316179970.db2.gz CECGPTKGDBADMJ-IRXDYDNUSA-N 2 1 320.477 3.155 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000577363342 316228715 /nfs/dbraw/zinc/22/87/15/316228715.db2.gz NGSMOJKUTAPVEM-WBVHZDCISA-N 2 1 317.477 3.080 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562073 316247483 /nfs/dbraw/zinc/24/74/83/316247483.db2.gz PEEKGQIGRGHQHM-KSSFIOAISA-N 2 1 301.409 3.223 20 0 DGADMP CN(c1ccccc1C[N@@H+]1CCC[C@H](F)C1)C1CC[NH+](C)CC1 ZINC000577617794 316253176 /nfs/dbraw/zinc/25/31/76/316253176.db2.gz NRZLQSRFRORGRK-KRWDZBQOSA-N 2 1 319.468 3.151 20 0 DGADMP CN(c1ccccc1C[N@H+]1CCC[C@H](F)C1)C1CC[NH+](C)CC1 ZINC000577617794 316253179 /nfs/dbraw/zinc/25/31/79/316253179.db2.gz NRZLQSRFRORGRK-KRWDZBQOSA-N 2 1 319.468 3.151 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000181808919 323270251 /nfs/dbraw/zinc/27/02/51/323270251.db2.gz HMSFKQZLLXGAQX-IAGOWNOFSA-N 2 1 307.482 3.401 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2nccn2C)c1 ZINC000182659828 323307227 /nfs/dbraw/zinc/30/72/27/323307227.db2.gz ASHCSRXUGYSCKL-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000182659828 323307230 /nfs/dbraw/zinc/30/72/30/323307230.db2.gz ASHCSRXUGYSCKL-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000182659828 323307233 /nfs/dbraw/zinc/30/72/33/323307233.db2.gz ASHCSRXUGYSCKL-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[NH+]1CCCCC1 ZINC000184501417 323367378 /nfs/dbraw/zinc/36/73/78/323367378.db2.gz RBAFXIVNFANNRG-CVEARBPZSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@@H]([NH2+]CCOc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675265 323392698 /nfs/dbraw/zinc/39/26/98/323392698.db2.gz BWGANGVDTIXLCC-CVEARBPZSA-N 2 1 320.452 3.447 20 0 DGADMP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000194838671 323480915 /nfs/dbraw/zinc/48/09/15/323480915.db2.gz PYXOULIMFHMQFY-GOSISDBHSA-N 2 1 300.446 3.289 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000388343516 323652254 /nfs/dbraw/zinc/65/22/54/323652254.db2.gz KSQRYOCIVYNVLI-JXFKEZNVSA-N 2 1 316.489 3.097 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000581549047 324128774 /nfs/dbraw/zinc/12/87/74/324128774.db2.gz NRVGFRRNEMOHGL-MOPGFXCFSA-N 2 1 310.441 3.150 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(C4CC4)s3)C2)CC1 ZINC000582753150 324270351 /nfs/dbraw/zinc/27/03/51/324270351.db2.gz RHJRVXNSFABTMU-HNNXBMFYSA-N 2 1 305.491 3.184 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583152438 324318822 /nfs/dbraw/zinc/31/88/22/324318822.db2.gz UVVXIMARNPYLTG-BETUJISGSA-N 2 1 303.372 3.406 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583152438 324318825 /nfs/dbraw/zinc/31/88/25/324318825.db2.gz UVVXIMARNPYLTG-BETUJISGSA-N 2 1 303.372 3.406 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(N2CCCC2)c1 ZINC000583329961 324340285 /nfs/dbraw/zinc/34/02/85/324340285.db2.gz HVYWLARWTOJZQR-INIZCTEOSA-N 2 1 312.461 3.304 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420323290 533711674 /nfs/dbraw/zinc/71/16/74/533711674.db2.gz UDUWUFRPLHIEGB-YIONKMFJSA-N 2 1 323.278 3.472 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000584219657 331865020 /nfs/dbraw/zinc/86/50/20/331865020.db2.gz SOIMVNDCBIUMDF-CABCVRRESA-N 2 1 301.459 3.417 20 0 DGADMP COc1cccc2c(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000584326346 333033310 /nfs/dbraw/zinc/03/33/10/333033310.db2.gz GMRZXAGBXNVFDZ-AWEZNQCLSA-N 2 1 311.429 3.448 20 0 DGADMP COc1cccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000584326346 333033311 /nfs/dbraw/zinc/03/33/11/333033311.db2.gz GMRZXAGBXNVFDZ-AWEZNQCLSA-N 2 1 311.429 3.448 20 0 DGADMP CC(C)CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000584492991 337349958 /nfs/dbraw/zinc/34/99/58/337349958.db2.gz BEOBVZIFMONTHQ-KRWDZBQOSA-N 2 1 311.558 3.453 20 0 DGADMP CC(C)c1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000590786714 500633598 /nfs/dbraw/zinc/63/35/98/500633598.db2.gz NMBXAKOMUVXMPK-AWEZNQCLSA-N 2 1 308.470 3.306 20 0 DGADMP CC(C)c1noc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000590786714 500633608 /nfs/dbraw/zinc/63/36/08/500633608.db2.gz NMBXAKOMUVXMPK-AWEZNQCLSA-N 2 1 308.470 3.306 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413224 533827541 /nfs/dbraw/zinc/82/75/41/533827541.db2.gz FQYVWEYXCFZOCS-RBUKOAKNSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413224 533827549 /nfs/dbraw/zinc/82/75/49/533827549.db2.gz FQYVWEYXCFZOCS-RBUKOAKNSA-N 2 1 318.505 3.407 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Br)c2)CC[N@H+]1C ZINC000313707604 533949267 /nfs/dbraw/zinc/94/92/67/533949267.db2.gz ZRUVZLSTKMJLSF-IUODEOHRSA-N 2 1 311.267 3.064 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)ccc1F ZINC000423369173 534007524 /nfs/dbraw/zinc/00/75/24/534007524.db2.gz FPWZVBQIKZRASW-SCVCMEIPSA-N 2 1 315.230 3.379 20 0 DGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([NH3+])CC1 ZINC000430606818 534089756 /nfs/dbraw/zinc/08/97/56/534089756.db2.gz WLTQSLIORVSJRI-HNNXBMFYSA-N 2 1 323.440 3.423 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)s2)o1 ZINC000415056069 534216756 /nfs/dbraw/zinc/21/67/56/534216756.db2.gz PKKICVQVZSWOOI-BDJLRTHQSA-N 2 1 305.447 3.128 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)s2)o1 ZINC000415056069 534216759 /nfs/dbraw/zinc/21/67/59/534216759.db2.gz PKKICVQVZSWOOI-BDJLRTHQSA-N 2 1 305.447 3.128 20 0 DGADMP Fc1cc(F)cc(Oc2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC000415021101 534449259 /nfs/dbraw/zinc/44/92/59/534449259.db2.gz BNUHPZBVPKLRLM-PIIMJCKOSA-N 2 1 316.351 3.065 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000442926021 534653059 /nfs/dbraw/zinc/65/30/59/534653059.db2.gz XIOIVYTXIUXZFG-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420363134 534653491 /nfs/dbraw/zinc/65/34/91/534653491.db2.gz BFFKECGSNSTALL-GJZGRUSLSA-N 2 1 308.853 3.183 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000442922252 534654193 /nfs/dbraw/zinc/65/41/93/534654193.db2.gz KBRMRILFDZMJJP-CQSZACIVSA-N 2 1 318.852 3.087 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000156232932 524197012 /nfs/dbraw/zinc/19/70/12/524197012.db2.gz RLUYTLOHWQBKCL-SJORKVTESA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000162233374 524709836 /nfs/dbraw/zinc/70/98/36/524709836.db2.gz CCWHNRIKTYNPMC-UHFFFAOYSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cncs3)CC2)[nH+]c1 ZINC000163479035 524944169 /nfs/dbraw/zinc/94/41/69/524944169.db2.gz PUSUWMLEUZATNR-ZDUSSCGKSA-N 2 1 302.447 3.166 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)nc(C)[nH+]1 ZINC000189146130 525058745 /nfs/dbraw/zinc/05/87/45/525058745.db2.gz OORLJRMFRLUKQW-KRWDZBQOSA-N 2 1 314.477 3.375 20 0 DGADMP Cc1cnn(CCCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157491042 526260815 /nfs/dbraw/zinc/26/08/15/526260815.db2.gz VIXOBUGZQVBSSA-LJQANCHMSA-N 2 1 318.509 3.312 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415044053 526620678 /nfs/dbraw/zinc/62/06/78/526620678.db2.gz ADCRJDVASDSCGD-GOSISDBHSA-N 2 1 313.445 3.124 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000415058569 526620884 /nfs/dbraw/zinc/62/08/84/526620884.db2.gz VVLDIXJLEZYHND-GOSISDBHSA-N 2 1 313.445 3.124 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415053723 526621080 /nfs/dbraw/zinc/62/10/80/526621080.db2.gz MSDZTHGQOZXNMG-CYBMUJFWSA-N 2 1 304.356 3.091 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045057 526794768 /nfs/dbraw/zinc/79/47/68/526794768.db2.gz OMFRURUFOYARMN-YJBOKZPZSA-N 2 1 302.462 3.047 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045057 526794769 /nfs/dbraw/zinc/79/47/69/526794769.db2.gz OMFRURUFOYARMN-YJBOKZPZSA-N 2 1 302.462 3.047 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000428452474 527711639 /nfs/dbraw/zinc/71/16/39/527711639.db2.gz BUZFOAGBOOWKOA-HKUYNNGSSA-N 2 1 313.489 3.203 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC2CCC2)CC1 ZINC000435767146 527712211 /nfs/dbraw/zinc/71/22/11/527712211.db2.gz FBAFDUANQAJDJW-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP CC(C)CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccoc1 ZINC000428224355 527808720 /nfs/dbraw/zinc/80/87/20/527808720.db2.gz CQCCEJJDYNJLGT-LJQANCHMSA-N 2 1 321.509 3.374 20 0 DGADMP CCC1CCC([N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CC2)CC1 ZINC000431072754 527843848 /nfs/dbraw/zinc/84/38/48/527843848.db2.gz ZPVYURVMNPRINX-UHFFFAOYSA-N 2 1 306.454 3.197 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292872544 528184354 /nfs/dbraw/zinc/18/43/54/528184354.db2.gz SNWZQNGBPXXQIY-NVXWUHKLSA-N 2 1 316.445 3.130 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000292872544 528184358 /nfs/dbraw/zinc/18/43/58/528184358.db2.gz SNWZQNGBPXXQIY-NVXWUHKLSA-N 2 1 316.445 3.130 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000435383361 528232726 /nfs/dbraw/zinc/23/27/26/528232726.db2.gz HPWHFQXRUVGIOZ-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000435383361 528232733 /nfs/dbraw/zinc/23/27/33/528232733.db2.gz HPWHFQXRUVGIOZ-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CC1CCN([C@@H](C[NH2+]C[C@@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000415085342 528259750 /nfs/dbraw/zinc/25/97/50/528259750.db2.gz PXUJKQOYDIXIKQ-WMZOPIPTSA-N 2 1 321.534 3.110 20 0 DGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000430571682 528289749 /nfs/dbraw/zinc/28/97/49/528289749.db2.gz IMCOXSRFEYEZGY-LBPRGKRZSA-N 2 1 320.462 3.181 20 0 DGADMP CCOc1ccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441367463 528570622 /nfs/dbraw/zinc/57/06/22/528570622.db2.gz QNSHSAQKUJCGPH-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441367463 528570627 /nfs/dbraw/zinc/57/06/27/528570627.db2.gz QNSHSAQKUJCGPH-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441367463 528570630 /nfs/dbraw/zinc/57/06/30/528570630.db2.gz QNSHSAQKUJCGPH-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCOc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441367463 528570635 /nfs/dbraw/zinc/57/06/35/528570635.db2.gz QNSHSAQKUJCGPH-QGZVFWFLSA-N 2 1 320.477 3.270 20 0 DGADMP CCCc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432350293 528636353 /nfs/dbraw/zinc/63/63/53/528636353.db2.gz YEPAYPJUTGFVPV-QGZVFWFLSA-N 2 1 304.478 3.230 20 0 DGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056146 528667711 /nfs/dbraw/zinc/66/77/11/528667711.db2.gz ROGGHJHNUPQPLZ-ZBFHGGJFSA-N 2 1 307.507 3.306 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056146 528667714 /nfs/dbraw/zinc/66/77/14/528667714.db2.gz ROGGHJHNUPQPLZ-ZBFHGGJFSA-N 2 1 307.507 3.306 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415132322 528672086 /nfs/dbraw/zinc/67/20/86/528672086.db2.gz TZPQMUBGYKZMLA-NVXWUHKLSA-N 2 1 320.477 3.291 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000435390303 528673692 /nfs/dbraw/zinc/67/36/92/528673692.db2.gz RASGEXZILZEUPJ-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000435390303 528673695 /nfs/dbraw/zinc/67/36/95/528673695.db2.gz RASGEXZILZEUPJ-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(F)ncc1F ZINC000294928790 528836793 /nfs/dbraw/zinc/83/67/93/528836793.db2.gz BWXIRENCIOCOJW-UHFFFAOYSA-N 2 1 319.399 3.490 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(F)ncc1F ZINC000294928790 528836796 /nfs/dbraw/zinc/83/67/96/528836796.db2.gz BWXIRENCIOCOJW-UHFFFAOYSA-N 2 1 319.399 3.490 20 0 DGADMP CCCCc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000420331450 529038498 /nfs/dbraw/zinc/03/84/98/529038498.db2.gz DYUJBYDIWBQGQP-MRXNPFEDSA-N 2 1 307.507 3.450 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CC(C)(C)C2)CC1 ZINC000433161729 529149716 /nfs/dbraw/zinc/14/97/16/529149716.db2.gz YGBWIAMDYFLPKE-UHFFFAOYSA-N 2 1 315.505 3.102 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC ZINC000432420499 529161592 /nfs/dbraw/zinc/16/15/92/529161592.db2.gz BURKGJDJWITKKB-SJLPKXTDSA-N 2 1 320.477 3.237 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC ZINC000432420499 529161594 /nfs/dbraw/zinc/16/15/94/529161594.db2.gz BURKGJDJWITKKB-SJLPKXTDSA-N 2 1 320.477 3.237 20 0 DGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000430731500 529335932 /nfs/dbraw/zinc/33/59/32/529335932.db2.gz MHOWCODSQJNMEY-QRQLOZEOSA-N 2 1 309.542 3.064 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1OC ZINC000493602326 535592791 /nfs/dbraw/zinc/59/27/91/535592791.db2.gz MYLPJTJFISSDKQ-SJORKVTESA-N 2 1 320.477 3.391 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449650315 536011358 /nfs/dbraw/zinc/01/13/58/536011358.db2.gz UBKXLEZOYXAKPO-WNHJNPCNSA-N 2 1 304.478 3.036 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000449337778 536894126 /nfs/dbraw/zinc/89/41/26/536894126.db2.gz COMHXIAYFXXNDD-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000449337778 536894128 /nfs/dbraw/zinc/89/41/28/536894128.db2.gz COMHXIAYFXXNDD-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc2ccccc2cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000449337778 536894132 /nfs/dbraw/zinc/89/41/32/536894132.db2.gz COMHXIAYFXXNDD-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1cc2ccccc2cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000449337778 536894133 /nfs/dbraw/zinc/89/41/33/536894133.db2.gz COMHXIAYFXXNDD-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560133 536906715 /nfs/dbraw/zinc/90/67/15/536906715.db2.gz GPYRSXDRYSFWGW-IZVVFDKHSA-N 2 1 302.462 3.402 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000118945501 545875035 /nfs/dbraw/zinc/87/50/35/545875035.db2.gz PLKFKLUEEZUOPB-LJQANCHMSA-N 2 1 303.494 3.062 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000121403614 545896123 /nfs/dbraw/zinc/89/61/23/545896123.db2.gz HOKRMPOSBKCINA-KYJSFNMBSA-N 2 1 313.445 3.382 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000154883824 546022270 /nfs/dbraw/zinc/02/22/70/546022270.db2.gz URALIUCKTADZOK-QGZVFWFLSA-N 3 1 317.521 3.347 20 0 DGADMP CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000161602095 546071597 /nfs/dbraw/zinc/07/15/97/546071597.db2.gz CCAGVRSWPQUMFK-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)nc2)CC1 ZINC000162605007 546079763 /nfs/dbraw/zinc/07/97/63/546079763.db2.gz RVZTXWGMTDVYRK-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166213142 546093760 /nfs/dbraw/zinc/09/37/60/546093760.db2.gz RKEREGPBPNTJIO-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166213142 546093765 /nfs/dbraw/zinc/09/37/65/546093765.db2.gz RKEREGPBPNTJIO-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166213142 546093771 /nfs/dbraw/zinc/09/37/71/546093771.db2.gz RKEREGPBPNTJIO-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP c1coc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)c1 ZINC000165967033 546094133 /nfs/dbraw/zinc/09/41/33/546094133.db2.gz VBBOVEPSRCWTHL-KURKYZTESA-N 2 1 317.477 3.023 20 0 DGADMP CC(C)COc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166295122 546094425 /nfs/dbraw/zinc/09/44/25/546094425.db2.gz ZKYFKKCOEKQZCJ-ZWKOTPCHSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166295122 546094428 /nfs/dbraw/zinc/09/44/28/546094428.db2.gz ZKYFKKCOEKQZCJ-ZWKOTPCHSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166295122 546094432 /nfs/dbraw/zinc/09/44/32/546094432.db2.gz ZKYFKKCOEKQZCJ-ZWKOTPCHSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)c1csc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000166515724 546096317 /nfs/dbraw/zinc/09/63/17/546096317.db2.gz VNFAOMUYHQOUKC-ZIAGYGMSSA-N 2 1 307.507 3.200 20 0 DGADMP CCc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192960041 546238936 /nfs/dbraw/zinc/23/89/36/546238936.db2.gz RNJIECZLZMUCEF-KRWDZBQOSA-N 2 1 310.445 3.281 20 0 DGADMP CCc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192960041 546238942 /nfs/dbraw/zinc/23/89/42/546238942.db2.gz RNJIECZLZMUCEF-KRWDZBQOSA-N 2 1 310.445 3.281 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc2ccccc12 ZINC000228200757 546269905 /nfs/dbraw/zinc/26/99/05/546269905.db2.gz UUPNFBQOPKAPHE-STQMWFEESA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc2ccccc12 ZINC000228200757 546269909 /nfs/dbraw/zinc/26/99/09/546269909.db2.gz UUPNFBQOPKAPHE-STQMWFEESA-N 2 1 303.837 3.366 20 0 DGADMP COCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285601210 546398924 /nfs/dbraw/zinc/39/89/24/546398924.db2.gz PNSCYEAOEJAIKL-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285601210 546398927 /nfs/dbraw/zinc/39/89/27/546398927.db2.gz PNSCYEAOEJAIKL-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285601210 546398928 /nfs/dbraw/zinc/39/89/28/546398928.db2.gz PNSCYEAOEJAIKL-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339068772 546533264 /nfs/dbraw/zinc/53/32/64/546533264.db2.gz PWEUYLGJUXEELX-WDSOQIARSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H]3C3CC3)c2)CCO1 ZINC000348112225 546586395 /nfs/dbraw/zinc/58/63/95/546586395.db2.gz WKHDPIBNOCFFCV-XPGWFJOJSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H]3C3CC3)c2)CCO1 ZINC000348112225 546586398 /nfs/dbraw/zinc/58/63/98/546586398.db2.gz WKHDPIBNOCFFCV-XPGWFJOJSA-N 2 1 314.473 3.186 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H]3C3CC3)CCCC2)CC1 ZINC000348119238 546586427 /nfs/dbraw/zinc/58/64/27/546586427.db2.gz NSJDDFRJXLXIJL-ZWKOTPCHSA-N 2 1 306.494 3.188 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358708901 546705950 /nfs/dbraw/zinc/70/59/50/546705950.db2.gz CQCBFYGMCUGFEG-CMKODMSKSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390774492 546756069 /nfs/dbraw/zinc/75/60/69/546756069.db2.gz LZNGHPACEFZQDA-XUVXKRRUSA-N 2 1 316.489 3.446 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000401770080 546765678 /nfs/dbraw/zinc/76/56/78/546765678.db2.gz CXRSVGDNRDYEDV-HNNXBMFYSA-N 2 1 320.234 3.002 20 0 DGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453301489 546858655 /nfs/dbraw/zinc/85/86/55/546858655.db2.gz BPNQXEKDRWACBL-IAGOWNOFSA-N 2 1 315.486 3.419 20 0 DGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453301489 546858659 /nfs/dbraw/zinc/85/86/59/546858659.db2.gz BPNQXEKDRWACBL-IAGOWNOFSA-N 2 1 315.486 3.419 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000551198228 546996924 /nfs/dbraw/zinc/99/69/24/546996924.db2.gz WIGKMRXYRXBMRH-UHOSZYNNSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551198228 546996927 /nfs/dbraw/zinc/99/69/27/546996927.db2.gz WIGKMRXYRXBMRH-UHOSZYNNSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551198228 546996931 /nfs/dbraw/zinc/99/69/31/546996931.db2.gz WIGKMRXYRXBMRH-UHOSZYNNSA-N 2 1 303.494 3.140 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000556193977 546999502 /nfs/dbraw/zinc/99/95/02/546999502.db2.gz RMEBFUZGDTUPPX-ONCXSQPRSA-N 2 1 316.489 3.210 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000556193977 546999505 /nfs/dbraw/zinc/99/95/05/546999505.db2.gz RMEBFUZGDTUPPX-ONCXSQPRSA-N 2 1 316.489 3.210 20 0 DGADMP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCCCO1 ZINC000667601344 547240091 /nfs/dbraw/zinc/24/00/91/547240091.db2.gz YFJZEXVEBMSIHR-GOSISDBHSA-N 2 1 314.433 3.048 20 0 DGADMP COCc1csc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000667658627 547262482 /nfs/dbraw/zinc/26/24/82/547262482.db2.gz LPNFCEKOPZSWEK-INIZCTEOSA-N 2 1 308.491 3.345 20 0 DGADMP COCc1csc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000667658627 547262485 /nfs/dbraw/zinc/26/24/85/547262485.db2.gz LPNFCEKOPZSWEK-INIZCTEOSA-N 2 1 308.491 3.345 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667677603 547271177 /nfs/dbraw/zinc/27/11/77/547271177.db2.gz WXKGWJUMMILGIO-AWEZNQCLSA-N 2 1 303.475 3.460 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667677603 547271181 /nfs/dbraw/zinc/27/11/81/547271181.db2.gz WXKGWJUMMILGIO-AWEZNQCLSA-N 2 1 303.475 3.460 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667677603 547271185 /nfs/dbraw/zinc/27/11/85/547271185.db2.gz WXKGWJUMMILGIO-AWEZNQCLSA-N 2 1 303.475 3.460 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667677603 547271188 /nfs/dbraw/zinc/27/11/88/547271188.db2.gz WXKGWJUMMILGIO-AWEZNQCLSA-N 2 1 303.475 3.460 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccncc4s3)CC[C@H]21 ZINC000667705732 547281214 /nfs/dbraw/zinc/28/12/14/547281214.db2.gz JTALMOJXFSHGPL-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccncc4s3)CC[C@H]21 ZINC000667705732 547281219 /nfs/dbraw/zinc/28/12/19/547281219.db2.gz JTALMOJXFSHGPL-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccncc4s3)CC[C@H]21 ZINC000667705732 547281225 /nfs/dbraw/zinc/28/12/25/547281225.db2.gz JTALMOJXFSHGPL-GOEBONIOSA-N 2 1 301.459 3.212 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccncc2s1 ZINC000668166826 547400538 /nfs/dbraw/zinc/40/05/38/547400538.db2.gz JDPQDHZPUVDGMQ-UHFFFAOYSA-N 2 1 300.431 3.323 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccncc2s1 ZINC000668166826 547400540 /nfs/dbraw/zinc/40/05/40/547400540.db2.gz JDPQDHZPUVDGMQ-UHFFFAOYSA-N 2 1 300.431 3.323 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668236651 547425755 /nfs/dbraw/zinc/42/57/55/547425755.db2.gz RUWLGCCOJKJIDU-OAHLLOKOSA-N 2 1 324.403 3.469 20 0 DGADMP Cc1ccc2c(c1)CN(Cc1ccnn1-c1ccncc1)CC2 ZINC000668479286 547465000 /nfs/dbraw/zinc/46/50/00/547465000.db2.gz NSTSXJUTFSTERY-UHFFFAOYSA-N 2 1 304.397 3.134 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCOC(C3CC3)(C3CC3)C2)cn1 ZINC000668684487 547508520 /nfs/dbraw/zinc/50/85/20/547508520.db2.gz KPGCOGFNEQWOME-UHFFFAOYSA-N 2 1 300.446 3.214 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668706165 547514627 /nfs/dbraw/zinc/51/46/27/547514627.db2.gz QBONIYLJSSPFOQ-MOPGFXCFSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668706165 547514631 /nfs/dbraw/zinc/51/46/31/547514631.db2.gz QBONIYLJSSPFOQ-MOPGFXCFSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668706165 547514635 /nfs/dbraw/zinc/51/46/35/547514635.db2.gz QBONIYLJSSPFOQ-MOPGFXCFSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668706165 547514639 /nfs/dbraw/zinc/51/46/39/547514639.db2.gz QBONIYLJSSPFOQ-MOPGFXCFSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668706165 547514642 /nfs/dbraw/zinc/51/46/42/547514642.db2.gz QBONIYLJSSPFOQ-MOPGFXCFSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785030 547541406 /nfs/dbraw/zinc/54/14/06/547541406.db2.gz LQJZFGCTBREAFX-UXHICEINSA-N 2 1 318.505 3.469 20 0 DGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785651 547541568 /nfs/dbraw/zinc/54/15/68/547541568.db2.gz UITJGLYZYJQQGW-UYAOXDASSA-N 2 1 318.505 3.298 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668818333 547549500 /nfs/dbraw/zinc/54/95/00/547549500.db2.gz GPQIMBFWCZZQJP-QFBILLFUSA-N 2 1 316.489 3.425 20 0 DGADMP C[C@H](C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000670266269 547741056 /nfs/dbraw/zinc/74/10/56/547741056.db2.gz SGGMGSHFBRAOLX-CVEARBPZSA-N 2 1 323.550 3.308 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671748386 547825316 /nfs/dbraw/zinc/82/53/16/547825316.db2.gz AQFAFXNOUZRZLX-GFCCVEGCSA-N 2 1 314.389 3.169 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000671753971 547827474 /nfs/dbraw/zinc/82/74/74/547827474.db2.gz CIFPFHGSDXSRBL-IOJLRTSASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000675809145 548276659 /nfs/dbraw/zinc/27/66/59/548276659.db2.gz ZWRIWEIYDUEAGK-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934081 548294734 /nfs/dbraw/zinc/29/47/34/548294734.db2.gz HOOWNPQGTCMDDM-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000675934081 548294738 /nfs/dbraw/zinc/29/47/38/548294738.db2.gz HOOWNPQGTCMDDM-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000676496014 548369556 /nfs/dbraw/zinc/36/95/56/548369556.db2.gz BTYUZTZIWRGBNH-HNNXBMFYSA-N 2 1 300.450 3.021 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000676496014 548369559 /nfs/dbraw/zinc/36/95/59/548369559.db2.gz BTYUZTZIWRGBNH-HNNXBMFYSA-N 2 1 300.450 3.021 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000676712901 548398957 /nfs/dbraw/zinc/39/89/57/548398957.db2.gz QSUOSZPQFUDSBL-PXNSSMCTSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000676712901 548398961 /nfs/dbraw/zinc/39/89/61/548398961.db2.gz QSUOSZPQFUDSBL-PXNSSMCTSA-N 2 1 313.489 3.201 20 0 DGADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000676712901 548398965 /nfs/dbraw/zinc/39/89/65/548398965.db2.gz QSUOSZPQFUDSBL-PXNSSMCTSA-N 2 1 313.489 3.201 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000677240713 548473891 /nfs/dbraw/zinc/47/38/91/548473891.db2.gz IBLYXQIJTGYCOU-FGTMMUONSA-N 2 1 321.896 3.159 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000677240713 548473893 /nfs/dbraw/zinc/47/38/93/548473893.db2.gz IBLYXQIJTGYCOU-FGTMMUONSA-N 2 1 321.896 3.159 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000677240716 548474023 /nfs/dbraw/zinc/47/40/23/548474023.db2.gz IBLYXQIJTGYCOU-RCCFBDPRSA-N 2 1 321.896 3.159 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000677240716 548474028 /nfs/dbraw/zinc/47/40/28/548474028.db2.gz IBLYXQIJTGYCOU-RCCFBDPRSA-N 2 1 321.896 3.159 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237458 548474131 /nfs/dbraw/zinc/47/41/31/548474131.db2.gz ISNNWAZPEDFQON-HOTGVXAUSA-N 2 1 302.462 3.189 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCn1cc[nH+]c1C ZINC000677820830 548560726 /nfs/dbraw/zinc/56/07/26/548560726.db2.gz YPRWMGPDMMPMBF-SFHVURJKSA-N 2 1 312.461 3.312 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCCn1cc[nH+]c1C ZINC000677820830 548560731 /nfs/dbraw/zinc/56/07/31/548560731.db2.gz YPRWMGPDMMPMBF-SFHVURJKSA-N 2 1 312.461 3.312 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000677981919 548588262 /nfs/dbraw/zinc/58/82/62/548588262.db2.gz KWWFDAFPIJRXMW-OALUTQOASA-N 2 1 313.445 3.291 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000677981919 548588267 /nfs/dbraw/zinc/58/82/67/548588267.db2.gz KWWFDAFPIJRXMW-OALUTQOASA-N 2 1 313.445 3.291 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000677981920 548588646 /nfs/dbraw/zinc/58/86/46/548588646.db2.gz KWWFDAFPIJRXMW-RBUKOAKNSA-N 2 1 313.445 3.291 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000677981920 548588651 /nfs/dbraw/zinc/58/86/51/548588651.db2.gz KWWFDAFPIJRXMW-RBUKOAKNSA-N 2 1 313.445 3.291 20 0 DGADMP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678137725 548622798 /nfs/dbraw/zinc/62/27/98/548622798.db2.gz TXKCHRQXFLSXAD-HNNXBMFYSA-N 2 1 302.418 3.413 20 0 DGADMP C[C@H]1COCCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000678272129 548665147 /nfs/dbraw/zinc/66/51/47/548665147.db2.gz BVKOCVGXUCOHEI-KRWDZBQOSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H]1COCCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000678272129 548665145 /nfs/dbraw/zinc/66/51/45/548665145.db2.gz BVKOCVGXUCOHEI-KRWDZBQOSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H]1COCCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000678272129 548665151 /nfs/dbraw/zinc/66/51/51/548665151.db2.gz BVKOCVGXUCOHEI-KRWDZBQOSA-N 2 1 304.478 3.255 20 0 DGADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678687439 548750961 /nfs/dbraw/zinc/75/09/61/548750961.db2.gz YRFBDGBYWHVJNK-WOJBJXKFSA-N 2 1 314.473 3.371 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000679727980 548945529 /nfs/dbraw/zinc/94/55/29/548945529.db2.gz TWEFEQFJCRAKAS-OALUTQOASA-N 2 1 308.425 3.013 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679940391 548966982 /nfs/dbraw/zinc/96/69/82/548966982.db2.gz OBZKPGFCMLGBSN-WOJBJXKFSA-N 2 1 315.505 3.288 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)cc1 ZINC000680335415 549031656 /nfs/dbraw/zinc/03/16/56/549031656.db2.gz YUCHSHDMENXYPL-QGZVFWFLSA-N 2 1 304.478 3.495 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)c2ccccc2)CCCO1 ZINC000683344070 549470932 /nfs/dbraw/zinc/47/09/32/549470932.db2.gz KJZLRMNZTKYSFB-QGZVFWFLSA-N 2 1 304.478 3.055 20 0 DGADMP C[C@@H](c1ccncc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212274 549596663 /nfs/dbraw/zinc/59/66/63/549596663.db2.gz PACFDENTESMGAR-FFZOFVMBSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@@H](c1ccncc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212274 549596666 /nfs/dbraw/zinc/59/66/66/549596666.db2.gz PACFDENTESMGAR-FFZOFVMBSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@@H](c1ccncc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212274 549596668 /nfs/dbraw/zinc/59/66/68/549596668.db2.gz PACFDENTESMGAR-FFZOFVMBSA-N 2 1 307.441 3.206 20 0 DGADMP C[C@@H](c1ccncc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212274 549596671 /nfs/dbraw/zinc/59/66/71/549596671.db2.gz PACFDENTESMGAR-FFZOFVMBSA-N 2 1 307.441 3.206 20 0 DGADMP CC[N@H+](Cc1cn2ccccc2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456731 549762958 /nfs/dbraw/zinc/76/29/58/549762958.db2.gz QWLWUHTYCZPWON-UHFFFAOYSA-N 2 1 322.456 3.418 20 0 DGADMP CC[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456731 549762962 /nfs/dbraw/zinc/76/29/62/549762962.db2.gz QWLWUHTYCZPWON-UHFFFAOYSA-N 2 1 322.456 3.418 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000685568274 549775762 /nfs/dbraw/zinc/77/57/62/549775762.db2.gz QMFQGXYEIPFGLQ-SFHVURJKSA-N 2 1 304.478 3.090 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000685568274 549775766 /nfs/dbraw/zinc/77/57/66/549775766.db2.gz QMFQGXYEIPFGLQ-SFHVURJKSA-N 2 1 304.478 3.090 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000685658036 549786540 /nfs/dbraw/zinc/78/65/40/549786540.db2.gz XZDQDWLVOSPMQL-PKOBYXMFSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685658036 549786544 /nfs/dbraw/zinc/78/65/44/549786544.db2.gz XZDQDWLVOSPMQL-PKOBYXMFSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685658036 549786546 /nfs/dbraw/zinc/78/65/46/549786546.db2.gz XZDQDWLVOSPMQL-PKOBYXMFSA-N 2 1 317.521 3.358 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665189 549786838 /nfs/dbraw/zinc/78/68/38/549786838.db2.gz IFQFYVOKFBOFSK-UYAOXDASSA-N 2 1 318.505 3.429 20 0 DGADMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000731041731 574541844 /nfs/dbraw/zinc/54/18/44/574541844.db2.gz SJWWJDXTCPFMQL-AWEZNQCLSA-N 2 1 318.490 3.048 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)CN2CCCC2)c1 ZINC000735563532 574707059 /nfs/dbraw/zinc/70/70/59/574707059.db2.gz VPFKXMWMGONBKJ-PMACEKPBSA-N 2 1 316.489 3.369 20 0 DGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000735563532 574707065 /nfs/dbraw/zinc/70/70/65/574707065.db2.gz VPFKXMWMGONBKJ-PMACEKPBSA-N 2 1 316.489 3.369 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738881937 574885734 /nfs/dbraw/zinc/88/57/34/574885734.db2.gz LKXWOCUXZXYSDP-RLLQIKCJSA-N 2 1 316.489 3.225 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738881937 574885735 /nfs/dbraw/zinc/88/57/35/574885735.db2.gz LKXWOCUXZXYSDP-RLLQIKCJSA-N 2 1 316.489 3.225 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC[N@H+]1C ZINC000742375841 574994005 /nfs/dbraw/zinc/99/40/05/574994005.db2.gz WHFIOBKRFKWZPZ-WMLDXEAASA-N 2 1 302.462 3.363 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000742385803 574995263 /nfs/dbraw/zinc/99/52/63/574995263.db2.gz VIYNRJRHXFETMK-RDJZCZTQSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000742385803 574995264 /nfs/dbraw/zinc/99/52/64/574995264.db2.gz VIYNRJRHXFETMK-RDJZCZTQSA-N 2 1 320.477 3.302 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000743857166 575066167 /nfs/dbraw/zinc/06/61/67/575066167.db2.gz OFVVLOBSNXPFRJ-UFYCRDLUSA-N 2 1 316.489 3.020 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000743857166 575066168 /nfs/dbraw/zinc/06/61/68/575066168.db2.gz OFVVLOBSNXPFRJ-UFYCRDLUSA-N 2 1 316.489 3.020 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000743857328 575066545 /nfs/dbraw/zinc/06/65/45/575066545.db2.gz PPXLISUOLSRJFD-WOJBJXKFSA-N 2 1 318.505 3.095 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000743857328 575066547 /nfs/dbraw/zinc/06/65/47/575066547.db2.gz PPXLISUOLSRJFD-WOJBJXKFSA-N 2 1 318.505 3.095 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683332 575260505 /nfs/dbraw/zinc/26/05/05/575260505.db2.gz KJJMEMBDYJNWLF-UXHICEINSA-N 2 1 322.452 3.306 20 0 DGADMP c1ccc(-c2ccccc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683332 575260508 /nfs/dbraw/zinc/26/05/08/575260508.db2.gz KJJMEMBDYJNWLF-UXHICEINSA-N 2 1 322.452 3.306 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000398072665 575960236 /nfs/dbraw/zinc/96/02/36/575960236.db2.gz ZFCHIRQEJGNIRZ-JXFKEZNVSA-N 2 1 310.441 3.392 20 0 DGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCc2ccccc2C1 ZINC000852744529 620645148 /nfs/dbraw/zinc/64/51/48/620645148.db2.gz CTLQKAQVGJRLLL-FQEVSTJZSA-N 2 1 306.453 3.322 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000853247118 620681817 /nfs/dbraw/zinc/68/18/17/620681817.db2.gz CVGJQJHAXISOPH-CQSZACIVSA-N 2 1 323.872 3.129 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1csc(C(F)(F)F)c1 ZINC000926204692 617859780 /nfs/dbraw/zinc/85/97/80/617859780.db2.gz UFRTZLINCPNWSQ-SECBINFHSA-N 2 1 303.353 3.394 20 0 DGADMP Cc1nc(N2CCC([NH+](C)C)CC2)cc(Nc2ccccc2)[nH+]1 ZINC000891778726 617895723 /nfs/dbraw/zinc/89/57/23/617895723.db2.gz AGGNBUPKOMFCQQ-UHFFFAOYSA-N 2 1 311.433 3.059 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)OCC2 ZINC000892085397 617958378 /nfs/dbraw/zinc/95/83/78/617958378.db2.gz DQSRJGKIXLOLOR-GOSISDBHSA-N 2 1 300.446 3.072 20 0 DGADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)OCC2 ZINC000892085397 617958380 /nfs/dbraw/zinc/95/83/80/617958380.db2.gz DQSRJGKIXLOLOR-GOSISDBHSA-N 2 1 300.446 3.072 20 0 DGADMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106465 617964293 /nfs/dbraw/zinc/96/42/93/617964293.db2.gz WNDZBKYUADEYIN-NVXWUHKLSA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106465 617964294 /nfs/dbraw/zinc/96/42/94/617964294.db2.gz WNDZBKYUADEYIN-NVXWUHKLSA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106465 617964297 /nfs/dbraw/zinc/96/42/97/617964297.db2.gz WNDZBKYUADEYIN-NVXWUHKLSA-N 2 1 301.478 3.183 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106828 617964413 /nfs/dbraw/zinc/96/44/13/617964413.db2.gz YBZAPLCOLXCAGO-KBXCAEBGSA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106828 617964416 /nfs/dbraw/zinc/96/44/16/617964416.db2.gz YBZAPLCOLXCAGO-KBXCAEBGSA-N 2 1 306.498 3.243 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106828 617964417 /nfs/dbraw/zinc/96/44/17/617964417.db2.gz YBZAPLCOLXCAGO-KBXCAEBGSA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106828 617964420 /nfs/dbraw/zinc/96/44/20/617964420.db2.gz YBZAPLCOLXCAGO-KBXCAEBGSA-N 2 1 306.498 3.243 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)[C@@H](C)C1 ZINC000892106828 617964421 /nfs/dbraw/zinc/96/44/21/617964421.db2.gz YBZAPLCOLXCAGO-KBXCAEBGSA-N 2 1 306.498 3.243 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146828 617974807 /nfs/dbraw/zinc/97/48/07/617974807.db2.gz YXDOVMOPYKXNPO-GOSISDBHSA-N 2 1 314.473 3.175 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146828 617974810 /nfs/dbraw/zinc/97/48/10/617974810.db2.gz YXDOVMOPYKXNPO-GOSISDBHSA-N 2 1 314.473 3.175 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146828 617974813 /nfs/dbraw/zinc/97/48/13/617974813.db2.gz YXDOVMOPYKXNPO-GOSISDBHSA-N 2 1 314.473 3.175 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892146828 617974815 /nfs/dbraw/zinc/97/48/15/617974815.db2.gz YXDOVMOPYKXNPO-GOSISDBHSA-N 2 1 314.473 3.175 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2nccc3c2CCCC3)C1 ZINC000892145758 617975120 /nfs/dbraw/zinc/97/51/20/617975120.db2.gz SZDXUTVLRNHCNN-KRWDZBQOSA-N 2 1 313.489 3.124 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892145758 617975124 /nfs/dbraw/zinc/97/51/24/617975124.db2.gz SZDXUTVLRNHCNN-KRWDZBQOSA-N 2 1 313.489 3.124 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892145758 617975127 /nfs/dbraw/zinc/97/51/27/617975127.db2.gz SZDXUTVLRNHCNN-KRWDZBQOSA-N 2 1 313.489 3.124 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892145758 617975130 /nfs/dbraw/zinc/97/51/30/617975130.db2.gz SZDXUTVLRNHCNN-KRWDZBQOSA-N 2 1 313.489 3.124 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892145758 617975134 /nfs/dbraw/zinc/97/51/34/617975134.db2.gz SZDXUTVLRNHCNN-KRWDZBQOSA-N 2 1 313.489 3.124 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)C[C@@H]([NH3+])C1 ZINC000925472431 620766675 /nfs/dbraw/zinc/76/66/75/620766675.db2.gz HGDWVHGBDDTINC-NEPJUHHUSA-N 2 1 305.447 3.399 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926574087 618051968 /nfs/dbraw/zinc/05/19/68/618051968.db2.gz UNSFJHXQHOHFOC-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP C[NH+](C)CCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924539227 618079638 /nfs/dbraw/zinc/07/96/38/618079638.db2.gz JFTLRGSNWVNQCG-IHWFROFDSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000926688955 618089074 /nfs/dbraw/zinc/08/90/74/618089074.db2.gz HZMDWTCBDJCFCQ-RTBURBONSA-N 2 1 316.489 3.168 20 0 DGADMP COC(=O)c1sccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000892584030 618112867 /nfs/dbraw/zinc/11/28/67/618112867.db2.gz GMSBBJCKFMKNRJ-AWEZNQCLSA-N 2 1 324.490 3.136 20 0 DGADMP C[C@H](NCC1([NH+](C)C)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924576794 618113187 /nfs/dbraw/zinc/11/31/87/618113187.db2.gz BQFYCWWTJUUQCU-INIZCTEOSA-N 2 1 303.494 3.273 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892585976 618113197 /nfs/dbraw/zinc/11/31/97/618113197.db2.gz ZJTGKZOKQODJSV-RBSFLKMASA-N 2 1 317.315 3.404 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c2c(n1)CCCC2 ZINC000892680482 618135732 /nfs/dbraw/zinc/13/57/32/618135732.db2.gz ZIXUMHFJKSRPPK-UHFFFAOYSA-N 2 1 313.489 3.375 20 0 DGADMP O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000920096533 620782968 /nfs/dbraw/zinc/78/29/68/620782968.db2.gz ZQXQAGVCGDWNGJ-RXVVDRJESA-N 2 1 324.468 3.433 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000920096533 620782973 /nfs/dbraw/zinc/78/29/73/620782973.db2.gz ZQXQAGVCGDWNGJ-RXVVDRJESA-N 2 1 324.468 3.433 20 0 DGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000920096533 620782976 /nfs/dbraw/zinc/78/29/76/620782976.db2.gz ZQXQAGVCGDWNGJ-RXVVDRJESA-N 2 1 324.468 3.433 20 0 DGADMP Cc1cccc2c1[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000925057230 618300906 /nfs/dbraw/zinc/30/09/06/618300906.db2.gz OTFIEPLLPNOICO-MOPGFXCFSA-N 2 1 314.473 3.215 20 0 DGADMP Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495041 618357405 /nfs/dbraw/zinc/35/74/05/618357405.db2.gz IKDXRKLNTVDXED-LIRRHRJNSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495041 618357413 /nfs/dbraw/zinc/35/74/13/618357413.db2.gz IKDXRKLNTVDXED-LIRRHRJNSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495041 618357420 /nfs/dbraw/zinc/35/74/20/618357420.db2.gz IKDXRKLNTVDXED-LIRRHRJNSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495041 618357424 /nfs/dbraw/zinc/35/74/24/618357424.db2.gz IKDXRKLNTVDXED-LIRRHRJNSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495041 618357430 /nfs/dbraw/zinc/35/74/30/618357430.db2.gz IKDXRKLNTVDXED-LIRRHRJNSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495037 618358553 /nfs/dbraw/zinc/35/85/53/618358553.db2.gz IKDXRKLNTVDXED-IFXJQAMLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495037 618358565 /nfs/dbraw/zinc/35/85/65/618358565.db2.gz IKDXRKLNTVDXED-IFXJQAMLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495037 618358573 /nfs/dbraw/zinc/35/85/73/618358573.db2.gz IKDXRKLNTVDXED-IFXJQAMLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495037 618358580 /nfs/dbraw/zinc/35/85/80/618358580.db2.gz IKDXRKLNTVDXED-IFXJQAMLSA-N 2 1 301.478 3.041 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c2c(n1)CCCC2 ZINC000894495037 618358586 /nfs/dbraw/zinc/35/85/86/618358586.db2.gz IKDXRKLNTVDXED-IFXJQAMLSA-N 2 1 301.478 3.041 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000925079720 618456922 /nfs/dbraw/zinc/45/69/22/618456922.db2.gz NEVRYQGGZBIQHZ-YZLZLFLDSA-N 2 1 316.489 3.473 20 0 DGADMP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893304103 618504397 /nfs/dbraw/zinc/50/43/97/618504397.db2.gz KSMJNTZESOWCKD-VIXSFIOASA-N 2 1 306.425 3.117 20 0 DGADMP CC1CC[NH+](C2CCC(N[C@@H]3CC[NH2+]C34CCCC4)CC2)CC1 ZINC000925607419 618506593 /nfs/dbraw/zinc/50/65/93/618506593.db2.gz PMPWMJQMUGZVSE-CTWPCTMYSA-N 2 1 319.537 3.294 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894984889 618507860 /nfs/dbraw/zinc/50/78/60/618507860.db2.gz NADBMJMILXZENJ-CYBMUJFWSA-N 2 1 304.459 3.428 20 0 DGADMP CCCCCn1cc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(C)n1 ZINC000925627142 618514308 /nfs/dbraw/zinc/51/43/08/618514308.db2.gz UCQPURIPLBDPKE-SQNIBIBYSA-N 2 1 318.509 3.248 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000925639327 618517335 /nfs/dbraw/zinc/51/73/35/618517335.db2.gz BLFRZRIXFWHWAX-DZOHQFGASA-N 2 1 303.494 3.173 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000895120940 618542876 /nfs/dbraw/zinc/54/28/76/618542876.db2.gz JIUNUMVXYLTSPU-UHFFFAOYSA-N 2 1 320.477 3.182 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000895120940 618542877 /nfs/dbraw/zinc/54/28/77/618542877.db2.gz JIUNUMVXYLTSPU-UHFFFAOYSA-N 2 1 320.477 3.182 20 0 DGADMP CC1=NO[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895301700 618591579 /nfs/dbraw/zinc/59/15/79/618591579.db2.gz KGJZOJBCRZRQBX-YTQUADARSA-N 2 1 313.445 3.109 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC000925751941 618594904 /nfs/dbraw/zinc/59/49/04/618594904.db2.gz RVMDGEBESVAMTL-HZSPNIEDSA-N 2 1 305.491 3.319 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000925774984 618615530 /nfs/dbraw/zinc/61/55/30/618615530.db2.gz BHUVJZSMJHGDJC-JQWIXIFHSA-N 2 1 318.408 3.443 20 0 DGADMP N[C@@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806592 618624158 /nfs/dbraw/zinc/62/41/58/618624158.db2.gz FXKGQBPIWQWWEV-MOPGFXCFSA-N 2 1 301.478 3.281 20 0 DGADMP C[C@@H]([NH3+])[C@@H](NCCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809773 618624494 /nfs/dbraw/zinc/62/44/94/618624494.db2.gz WNLJCBDFEIAOLD-VQIMIIECSA-N 2 1 303.494 3.225 20 0 DGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925809773 618624495 /nfs/dbraw/zinc/62/44/95/618624495.db2.gz WNLJCBDFEIAOLD-VQIMIIECSA-N 3 1 303.494 3.225 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cc2c1OCC2 ZINC000925889623 618653216 /nfs/dbraw/zinc/65/32/16/618653216.db2.gz LLUUOHYGTCFLEE-ZEIJEMSESA-N 2 1 306.837 3.209 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3([C@H]4CCCCO4)CC3)CC[NH2+]2)cc1 ZINC000925892598 618653953 /nfs/dbraw/zinc/65/39/53/618653953.db2.gz CBJNAHKIVFAKFF-FGTMMUONSA-N 2 1 300.446 3.171 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062892 618702605 /nfs/dbraw/zinc/70/26/05/618702605.db2.gz GFNSKZBMZUEROL-INIZCTEOSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894063853 618702955 /nfs/dbraw/zinc/70/29/55/618702955.db2.gz RBFDMXQOEMUARD-MRXNPFEDSA-N 2 1 301.478 3.208 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894063853 618702957 /nfs/dbraw/zinc/70/29/57/618702957.db2.gz RBFDMXQOEMUARD-MRXNPFEDSA-N 2 1 301.478 3.208 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894063853 618702958 /nfs/dbraw/zinc/70/29/58/618702958.db2.gz RBFDMXQOEMUARD-MRXNPFEDSA-N 2 1 301.478 3.208 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894063853 618702961 /nfs/dbraw/zinc/70/29/61/618702961.db2.gz RBFDMXQOEMUARD-MRXNPFEDSA-N 2 1 301.478 3.208 20 0 DGADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC000894181297 618725175 /nfs/dbraw/zinc/72/51/75/618725175.db2.gz XGXQBBUAJNWINQ-AWEZNQCLSA-N 2 1 324.490 3.136 20 0 DGADMP Oc1cccc2sc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000894186945 618726086 /nfs/dbraw/zinc/72/60/86/618726086.db2.gz FKMQDTQWVVPZOJ-CHWSQXEVSA-N 2 1 302.443 3.323 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc3c2OCO3)C1 ZINC000924960731 618750327 /nfs/dbraw/zinc/75/03/27/618750327.db2.gz RGHWRWIVEPSYCE-LSDHHAIUSA-N 2 1 304.434 3.186 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc3c2OCO3)C1 ZINC000924960731 618750329 /nfs/dbraw/zinc/75/03/29/618750329.db2.gz RGHWRWIVEPSYCE-LSDHHAIUSA-N 2 1 304.434 3.186 20 0 DGADMP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895380491 618776156 /nfs/dbraw/zinc/77/61/56/618776156.db2.gz YVNTXIVEHWFRHU-BEFAXECRSA-N 2 1 317.477 3.197 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000895391956 618777942 /nfs/dbraw/zinc/77/79/42/618777942.db2.gz IIQMGOBDNIWZGP-ZDUSSCGKSA-N 2 1 304.459 3.428 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCCC3)CCN1c1cc[nH+]cc1 ZINC000895556718 618798867 /nfs/dbraw/zinc/79/88/67/618798867.db2.gz IRYLWAQLXUVMIU-MRXNPFEDSA-N 2 1 322.456 3.150 20 0 DGADMP Cn1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c2ccccc21 ZINC000895684828 618818736 /nfs/dbraw/zinc/81/87/36/618818736.db2.gz HFQRDBWJTLMUCC-UHFFFAOYSA-N 2 1 314.477 3.271 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000895821095 618835771 /nfs/dbraw/zinc/83/57/71/618835771.db2.gz BRXRYYFBYZIDMX-UHFFFAOYSA-N 2 1 302.462 3.459 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC000896057908 618867969 /nfs/dbraw/zinc/86/79/69/618867969.db2.gz JLTSQYDVJCGQRC-UHFFFAOYSA-N 2 1 302.462 3.454 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CO[C@H]1C ZINC000925132645 618899033 /nfs/dbraw/zinc/89/90/33/618899033.db2.gz ARTSICUNPAEFCV-WNZSCWOMSA-N 2 1 308.491 3.144 20 0 DGADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CO[C@H]1C ZINC000925132645 618899036 /nfs/dbraw/zinc/89/90/36/618899036.db2.gz ARTSICUNPAEFCV-WNZSCWOMSA-N 2 1 308.491 3.144 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3[C@@H](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000925225661 619082692 /nfs/dbraw/zinc/08/26/92/619082692.db2.gz TUSZHPZGJRVWJY-STQMWFEESA-N 2 1 302.466 3.086 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3[C@H](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000925225656 619082712 /nfs/dbraw/zinc/08/27/12/619082712.db2.gz TUSZHPZGJRVWJY-MCBXIFIFSA-N 2 1 302.466 3.086 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000841029728 619166120 /nfs/dbraw/zinc/16/61/20/619166120.db2.gz RAAVHYOIDQISMA-SECBINFHSA-N 2 1 313.232 3.036 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000898179652 619223206 /nfs/dbraw/zinc/22/32/06/619223206.db2.gz MHTAKYLNLQANTE-HNNXBMFYSA-N 2 1 304.482 3.208 20 0 DGADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181848 619223586 /nfs/dbraw/zinc/22/35/86/619223586.db2.gz PFPKBPBLEULUNS-RHSMWYFYSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181848 619223588 /nfs/dbraw/zinc/22/35/88/619223588.db2.gz PFPKBPBLEULUNS-RHSMWYFYSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181848 619223590 /nfs/dbraw/zinc/22/35/90/619223590.db2.gz PFPKBPBLEULUNS-RHSMWYFYSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cnn(CC2CCC2)c1 ZINC000898181848 619223592 /nfs/dbraw/zinc/22/35/92/619223592.db2.gz PFPKBPBLEULUNS-RHSMWYFYSA-N 2 1 304.482 3.207 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000898306239 619235394 /nfs/dbraw/zinc/23/53/94/619235394.db2.gz HGDGRDBWWHCNRQ-QGZVFWFLSA-N 2 1 303.494 3.033 20 0 DGADMP CCn1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000924685162 619257261 /nfs/dbraw/zinc/25/72/61/619257261.db2.gz NWVLBFIBSIPSSG-OWCLPIDISA-N 2 1 321.513 3.015 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCSC4)C[C@@H]3C2)cc1 ZINC000898522991 619283907 /nfs/dbraw/zinc/28/39/07/619283907.db2.gz WRXNCBMLVUTVCK-ZSYWTGECSA-N 2 1 316.514 3.382 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522320 619283931 /nfs/dbraw/zinc/28/39/31/619283931.db2.gz MYDHOVHENFZOMF-WSTZPKSXSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522320 619283934 /nfs/dbraw/zinc/28/39/34/619283934.db2.gz MYDHOVHENFZOMF-WSTZPKSXSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522320 619283935 /nfs/dbraw/zinc/28/39/35/619283935.db2.gz MYDHOVHENFZOMF-WSTZPKSXSA-N 2 1 324.472 3.108 20 0 DGADMP FC1(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898520063 619283941 /nfs/dbraw/zinc/28/39/41/619283941.db2.gz URMYMNPZWGYJMD-SQNIBIBYSA-N 2 1 302.437 3.379 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898521402 619283991 /nfs/dbraw/zinc/28/39/91/619283991.db2.gz CFNAHRZLECBLRN-ZDNSCYFHSA-N 2 1 314.473 3.054 20 0 DGADMP CNc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000902027559 619574179 /nfs/dbraw/zinc/57/41/79/619574179.db2.gz XHBFAOHNQHEACE-UHFFFAOYSA-N 2 1 309.457 3.483 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000902318303 619614470 /nfs/dbraw/zinc/61/44/70/619614470.db2.gz GRZRPXDFLTZGNU-MOPGFXCFSA-N 2 1 315.505 3.191 20 0 DGADMP Cc1cc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)on1 ZINC000902319583 619614881 /nfs/dbraw/zinc/61/48/81/619614881.db2.gz UNWWCPFAPQNGJT-INIZCTEOSA-N 2 1 309.360 3.221 20 0 DGADMP Cc1cc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)ncn1 ZINC000902370638 619624182 /nfs/dbraw/zinc/62/41/82/619624182.db2.gz MIHAGEIKFQOVSG-KRWDZBQOSA-N 2 1 320.387 3.023 20 0 DGADMP [NH3+]CCCC[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1F ZINC000902361097 619627165 /nfs/dbraw/zinc/62/71/65/619627165.db2.gz JEMHCUQMRLHPIW-INIZCTEOSA-N 2 1 323.362 3.459 20 0 DGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902418705 619632929 /nfs/dbraw/zinc/63/29/29/619632929.db2.gz YOHSNOSTSAKMTI-AWEZNQCLSA-N 2 1 311.267 3.241 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902437426 619636102 /nfs/dbraw/zinc/63/61/02/619636102.db2.gz HTZZBPKUMKJUKO-GDVKCFTOSA-N 2 1 321.468 3.036 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000902414249 619637467 /nfs/dbraw/zinc/63/74/67/619637467.db2.gz UNPBGTPKPXTBQA-GFCCVEGCSA-N 2 1 315.642 3.171 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+]CC3([NH3+])CC3)CC2)cc1 ZINC000902414292 619637544 /nfs/dbraw/zinc/63/75/44/619637544.db2.gz VWFVNFCMLDDDAX-UHFFFAOYSA-N 2 1 302.462 3.021 20 0 DGADMP CNc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902478464 619639006 /nfs/dbraw/zinc/63/90/06/619639006.db2.gz WYGLBUICFBORTO-DOTOQJQBSA-N 2 1 301.478 3.471 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c(F)c1 ZINC000902452171 619639997 /nfs/dbraw/zinc/63/99/97/619639997.db2.gz JQYXZDDNRWESPJ-SUYBPPKGSA-N 2 1 306.400 3.475 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902728333 619666786 /nfs/dbraw/zinc/66/67/86/619666786.db2.gz QFUJPAIVKLCBIM-OAHLLOKOSA-N 2 1 318.461 3.307 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)C[NH+]1CCCC1 ZINC000902754345 619670920 /nfs/dbraw/zinc/67/09/20/619670920.db2.gz ABACAFCPBPOQPV-STQMWFEESA-N 2 1 315.383 3.483 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902788993 619676867 /nfs/dbraw/zinc/67/68/67/619676867.db2.gz BSKSQSYNMJAEEV-MNEFBYGVSA-N 2 1 319.493 3.403 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000902895837 619689930 /nfs/dbraw/zinc/68/99/30/619689930.db2.gz DGPONWNDQSLVOO-LIRRHRJNSA-N 2 1 300.446 3.170 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903016764 619701917 /nfs/dbraw/zinc/70/19/17/619701917.db2.gz HKOWRAPVIOFOEB-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903018001 619702152 /nfs/dbraw/zinc/70/21/52/619702152.db2.gz VJUDPBYQJZBSFW-NEWSRXKRSA-N 2 1 308.510 3.293 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCCC1 ZINC000903038712 619705431 /nfs/dbraw/zinc/70/54/31/619705431.db2.gz MFNICHKLTUNNGB-CENDIDJXSA-N 2 1 320.521 3.434 20 0 DGADMP COc1ccc(C)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903058655 619707597 /nfs/dbraw/zinc/70/75/97/619707597.db2.gz IYHQMLJCEFISMK-JLYLLQBASA-N 2 1 314.473 3.294 20 0 DGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccsc1 ZINC000903061537 619708086 /nfs/dbraw/zinc/70/80/86/619708086.db2.gz GIYXQRAENVSYLM-NXCDMZCRSA-N 2 1 319.518 3.098 20 0 DGADMP CO[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000903075114 619711285 /nfs/dbraw/zinc/71/12/85/619711285.db2.gz ZBLWBWXHJAINNW-MOPGFXCFSA-N 2 1 302.462 3.117 20 0 DGADMP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074508 619715910 /nfs/dbraw/zinc/71/59/10/619715910.db2.gz NJXAYCNWTVPCAD-NXCDMZCRSA-N 2 1 316.493 3.045 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@H](C)C1 ZINC000903165717 619728492 /nfs/dbraw/zinc/72/84/92/619728492.db2.gz LNBMYPUVSKYBCC-ZRSRNVLSSA-N 2 1 308.510 3.149 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000903185351 619732542 /nfs/dbraw/zinc/73/25/42/619732542.db2.gz IONAHDNYHWZICJ-DOTOQJQBSA-N 2 1 318.461 3.132 20 0 DGADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903192139 619733502 /nfs/dbraw/zinc/73/35/02/619733502.db2.gz JKTOLMSSXLRFIR-ZXFUBFMLSA-N 2 1 312.457 3.432 20 0 DGADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903192139 619733504 /nfs/dbraw/zinc/73/35/04/619733504.db2.gz JKTOLMSSXLRFIR-ZXFUBFMLSA-N 2 1 312.457 3.432 20 0 DGADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1C ZINC000903204188 619736565 /nfs/dbraw/zinc/73/65/65/619736565.db2.gz RAXBDWJVRTZYSB-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2c(c1)COCC2 ZINC000903212939 619739548 /nfs/dbraw/zinc/73/95/48/619739548.db2.gz NVMMXBQFJGJCSL-JLYLLQBASA-N 2 1 312.457 3.007 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903266146 619748996 /nfs/dbraw/zinc/74/89/96/619748996.db2.gz UDDPLWFNJRYHMR-NMLACTOBSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000903441432 619775788 /nfs/dbraw/zinc/77/57/88/619775788.db2.gz RRCKPPDGKQZCAN-GTAWCEEGSA-N 2 1 316.489 3.210 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442471 619777353 /nfs/dbraw/zinc/77/73/53/619777353.db2.gz RXJFSKWDCNFOQD-RVKKMQEKSA-N 2 1 312.461 3.321 20 0 DGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CC[C@H]([NH3+])C4)C3)nc2c1 ZINC000903455108 619779456 /nfs/dbraw/zinc/77/94/56/619779456.db2.gz QCORJMFPZLMRFW-PMPSAXMXSA-N 2 1 312.461 3.178 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H]4CC[C@H]([NH3+])C4)C3)[nH]c2c1 ZINC000903455108 619779457 /nfs/dbraw/zinc/77/94/57/619779457.db2.gz QCORJMFPZLMRFW-PMPSAXMXSA-N 2 1 312.461 3.178 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H]4CC[C@H]([NH3+])C4)C3)[nH]c2c1 ZINC000903455108 619779459 /nfs/dbraw/zinc/77/94/59/619779459.db2.gz QCORJMFPZLMRFW-PMPSAXMXSA-N 2 1 312.461 3.178 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000903456716 619779710 /nfs/dbraw/zinc/77/97/10/619779710.db2.gz JWOFTNJPFNRQLH-KFWWJZLASA-N 2 1 319.518 3.057 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)O2)cc1 ZINC000903482011 619780720 /nfs/dbraw/zinc/78/07/20/619780720.db2.gz ULEIEPZXMPSSNF-OKZBNKHCSA-N 2 1 300.446 3.171 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903496840 619782300 /nfs/dbraw/zinc/78/23/00/619782300.db2.gz GVMDUTITAJAXEI-GDBMZVCRSA-N 2 1 315.486 3.151 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718300 619803071 /nfs/dbraw/zinc/80/30/71/619803071.db2.gz KJGYVVDQJOEUPG-RTBURBONSA-N 2 1 302.462 3.010 20 0 DGADMP c1csc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903718402 619803078 /nfs/dbraw/zinc/80/30/78/619803078.db2.gz LXXXEVLEJAXPII-LSDHHAIUSA-N 2 1 306.475 3.044 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000903717228 619803221 /nfs/dbraw/zinc/80/32/21/619803221.db2.gz KYUOOLCTUURFDE-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000903717228 619803223 /nfs/dbraw/zinc/80/32/23/619803223.db2.gz KYUOOLCTUURFDE-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718696 619803287 /nfs/dbraw/zinc/80/32/87/619803287.db2.gz QTAMHZDHMLIZOM-WOJBJXKFSA-N 2 1 310.441 3.040 20 0 DGADMP c1csc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903718399 619803342 /nfs/dbraw/zinc/80/33/42/619803342.db2.gz LXXXEVLEJAXPII-CABCVRRESA-N 2 1 306.475 3.044 20 0 DGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722277 619803599 /nfs/dbraw/zinc/80/35/99/619803599.db2.gz JZZPCVFVPFFARR-SLFFLAALSA-N 2 1 314.473 3.372 20 0 DGADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000903722511 619803681 /nfs/dbraw/zinc/80/36/81/619803681.db2.gz LYBZRFBDLVAZOU-CRAIPNDOSA-N 2 1 320.452 3.367 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722696 619804042 /nfs/dbraw/zinc/80/40/42/619804042.db2.gz DFGAQHCGLWPXQQ-WMZOPIPTSA-N 2 1 302.462 3.147 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)cc1OC ZINC000903724631 619804141 /nfs/dbraw/zinc/80/41/41/619804141.db2.gz OTIMPLAUCPYPER-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000903724144 619804226 /nfs/dbraw/zinc/80/42/26/619804226.db2.gz LJLYDHZUGDSZAO-HOTGVXAUSA-N 2 1 306.475 3.044 20 0 DGADMP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723390 619804275 /nfs/dbraw/zinc/80/42/75/619804275.db2.gz WPPDHOWNVPHIJY-HOCLYGCPSA-N 2 1 320.502 3.216 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)cc1OC ZINC000903724632 619804523 /nfs/dbraw/zinc/80/45/23/619804523.db2.gz OTIMPLAUCPYPER-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903726706 619804673 /nfs/dbraw/zinc/80/46/73/619804673.db2.gz NGNYWCVSCIPMSU-LJQANCHMSA-N 2 1 304.478 3.305 20 0 DGADMP Cc1ccc(C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C(C)C)s1 ZINC000903727781 619805484 /nfs/dbraw/zinc/80/54/84/619805484.db2.gz XFURSKZQGDJUMI-RDJZCZTQSA-N 2 1 308.491 3.036 20 0 DGADMP c1ccc2oc([C@@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903733821 619807713 /nfs/dbraw/zinc/80/77/13/619807713.db2.gz REAGZAYRZCOMMQ-JKSUJKDBSA-N 2 1 313.445 3.397 20 0 DGADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903734689 619807817 /nfs/dbraw/zinc/80/78/17/619807817.db2.gz VBTSDFCMNPJYKC-FHWLQOOXSA-N 2 1 318.436 3.121 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903738261 619808348 /nfs/dbraw/zinc/80/83/48/619808348.db2.gz ZRROTEBWTBCSAU-YJBOKZPZSA-N 2 1 312.461 3.100 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903738261 619808352 /nfs/dbraw/zinc/80/83/52/619808352.db2.gz ZRROTEBWTBCSAU-YJBOKZPZSA-N 2 1 312.461 3.100 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2CF)C1 ZINC000903768403 619809955 /nfs/dbraw/zinc/80/99/55/619809955.db2.gz MPGONQDIYPHAIT-KURKYZTESA-N 2 1 306.425 3.017 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2CF)CC[C@H]1C(F)(F)F ZINC000903769654 619810239 /nfs/dbraw/zinc/81/02/39/619810239.db2.gz LLSGDVAUTDGUTH-UONOGXRCSA-N 2 1 304.331 3.115 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2CF)CC[C@H]1C(F)(F)F ZINC000903769654 619810242 /nfs/dbraw/zinc/81/02/42/619810242.db2.gz LLSGDVAUTDGUTH-UONOGXRCSA-N 2 1 304.331 3.115 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903755739 619810705 /nfs/dbraw/zinc/81/07/05/619810705.db2.gz LFPALRBKRJSZKO-CABCVRRESA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903755739 619810707 /nfs/dbraw/zinc/81/07/07/619810707.db2.gz LFPALRBKRJSZKO-CABCVRRESA-N 2 1 308.853 3.183 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOc2ccccc2F)CCC1 ZINC000903816213 619814908 /nfs/dbraw/zinc/81/49/08/619814908.db2.gz WLAVHMNVBQTPBN-KRWDZBQOSA-N 2 1 306.425 3.188 20 0 DGADMP c1cc(C[N@H+]2CCCSC[C@@H]2C2CC2)c2c(c1)C[NH2+]CC2 ZINC000903826364 619820172 /nfs/dbraw/zinc/82/01/72/619820172.db2.gz JRIKPUXBTVZAAR-GOSISDBHSA-N 2 1 302.487 3.050 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC000903843801 619822877 /nfs/dbraw/zinc/82/28/77/619822877.db2.gz TXTIHYXBIRLCJA-IMJJTQAJSA-N 2 1 312.379 3.450 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1ccc3ccccc3c1)C2 ZINC000903847470 619823688 /nfs/dbraw/zinc/82/36/88/619823688.db2.gz UWXOISSSBOJBRW-SNRMKQJTSA-N 2 1 310.441 3.420 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903857910 619825047 /nfs/dbraw/zinc/82/50/47/619825047.db2.gz GMOWEGCKQSIKHI-YDZRNGNQSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903857910 619825049 /nfs/dbraw/zinc/82/50/49/619825049.db2.gz GMOWEGCKQSIKHI-YDZRNGNQSA-N 2 1 300.446 3.110 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H]([NH3+])CC(F)F ZINC000903889636 619826499 /nfs/dbraw/zinc/82/64/99/619826499.db2.gz UREPDZRXQZNCAG-AWEZNQCLSA-N 2 1 323.387 3.189 20 0 DGADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903889358 619826532 /nfs/dbraw/zinc/82/65/32/619826532.db2.gz RHRJKFRMRMFNOD-CUCSMPGESA-N 2 1 314.473 3.105 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)C2CC2)cc1 ZINC000903876132 619827438 /nfs/dbraw/zinc/82/74/38/619827438.db2.gz DKOATRAAGCSAFL-IUODEOHRSA-N 2 1 312.404 3.278 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CO1 ZINC000903894811 619829776 /nfs/dbraw/zinc/82/97/76/619829776.db2.gz FFMHKKCGKACQFN-PNEOLPHYSA-N 2 1 314.473 3.287 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903895048 619830223 /nfs/dbraw/zinc/83/02/23/619830223.db2.gz KCRDMSBBFYVLMQ-WQHGSSGSSA-N 2 1 313.489 3.420 20 0 DGADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccsc2)O1 ZINC000903898801 619830403 /nfs/dbraw/zinc/83/04/03/619830403.db2.gz QBRMIQLSLDRXFH-PPHJYPGKSA-N 2 1 306.475 3.041 20 0 DGADMP Fc1cccc(F)c1[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903909180 619833108 /nfs/dbraw/zinc/83/31/08/619833108.db2.gz CJELGDWDAAPSOW-NUDNTCICSA-N 2 1 306.400 3.285 20 0 DGADMP C[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000903924941 619835009 /nfs/dbraw/zinc/83/50/09/619835009.db2.gz AAYKTLJPPAQDOY-JOYOIKCWSA-N 2 1 310.310 3.381 20 0 DGADMP CCOc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959183 619839866 /nfs/dbraw/zinc/83/98/66/619839866.db2.gz CSXVWUQHDLIDJO-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959183 619839868 /nfs/dbraw/zinc/83/98/68/619839868.db2.gz CSXVWUQHDLIDJO-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CC[C@H](C[N@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903941648 619841635 /nfs/dbraw/zinc/84/16/35/619841635.db2.gz AUDAIWTVZFZMAZ-CYBMUJFWSA-N 2 1 301.459 3.154 20 0 DGADMP F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903947664 619843626 /nfs/dbraw/zinc/84/36/26/619843626.db2.gz DOZWDSPSTMDCOT-VQTJNVASSA-N 2 1 310.416 3.448 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903954014 619846409 /nfs/dbraw/zinc/84/64/09/619846409.db2.gz NPZYHGPLTLANOT-XYTVBORESA-N 2 1 319.518 3.237 20 0 DGADMP CC(C)COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954926 619846695 /nfs/dbraw/zinc/84/66/95/619846695.db2.gz IPZZZVIVQIHDMI-OAHLLOKOSA-N 2 1 312.404 3.056 20 0 DGADMP [NH3+][C@H](CC1CC1)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904089337 619874338 /nfs/dbraw/zinc/87/43/38/619874338.db2.gz IITFYSZBTOIGPK-MRXNPFEDSA-N 2 1 312.417 3.132 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000904337461 619912690 /nfs/dbraw/zinc/91/26/90/619912690.db2.gz ZOLYGIZGSRDVBY-MELADBBJSA-N 2 1 301.459 3.213 20 0 DGADMP COc1ccc(CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)C)cc1 ZINC000904321772 619913136 /nfs/dbraw/zinc/91/31/36/619913136.db2.gz FXYSGXRNVNAGDC-CALCHBBNSA-N 2 1 304.478 3.323 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)C1 ZINC000904327335 619913820 /nfs/dbraw/zinc/91/38/20/619913820.db2.gz DFJNRGCFTIGCPR-BPQIPLTHSA-N 2 1 316.470 3.021 20 0 DGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000904384368 619918643 /nfs/dbraw/zinc/91/86/43/619918643.db2.gz JWTPDRHFRGRSFF-ICSRJNTNSA-N 3 1 315.505 3.265 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)[nH]n1 ZINC000904385434 619918790 /nfs/dbraw/zinc/91/87/90/619918790.db2.gz VUHVLUVVXJHZGN-QAPCUYQASA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385434 619918792 /nfs/dbraw/zinc/91/87/92/619918792.db2.gz VUHVLUVVXJHZGN-QAPCUYQASA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385434 619918793 /nfs/dbraw/zinc/91/87/93/619918793.db2.gz VUHVLUVVXJHZGN-QAPCUYQASA-N 2 1 304.482 3.102 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000904383632 619918831 /nfs/dbraw/zinc/91/88/31/619918831.db2.gz ALYPNONNAQSPGP-YPMHNXCESA-N 2 1 305.422 3.338 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405155 619920010 /nfs/dbraw/zinc/92/00/10/619920010.db2.gz FZWKEXAONHZKIV-SNVBAGLBSA-N 2 1 303.233 3.173 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OC ZINC000904412019 619920748 /nfs/dbraw/zinc/92/07/48/619920748.db2.gz ZPVNHADRKBWXIO-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP [NH3+][C@@H]1CN(c2cc[nH+]c3ccsc32)CC[C@H]1C(F)(F)F ZINC000905717475 620020260 /nfs/dbraw/zinc/02/02/60/620020260.db2.gz HJUPQNOUSTXCBW-RKDXNWHRSA-N 2 1 301.337 3.012 20 0 DGADMP [NH3+][C@H]1CN(c2cc[nH+]c3ccsc32)CC[C@@H]1C(F)(F)F ZINC000905717474 620020338 /nfs/dbraw/zinc/02/03/38/620020338.db2.gz HJUPQNOUSTXCBW-IUCAKERBSA-N 2 1 301.337 3.012 20 0 DGADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000907881585 620178432 /nfs/dbraw/zinc/17/84/32/620178432.db2.gz GGBRBSLAYFBPHI-KRWDZBQOSA-N 2 1 324.428 3.058 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000907881585 620178434 /nfs/dbraw/zinc/17/84/34/620178434.db2.gz GGBRBSLAYFBPHI-KRWDZBQOSA-N 2 1 324.428 3.058 20 0 DGADMP CCCCCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000841086652 620229707 /nfs/dbraw/zinc/22/97/07/620229707.db2.gz PESDQTKRVDHPQM-IBGZPJMESA-N 2 1 320.477 3.114 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(C)c1OC(F)F ZINC000841087174 620230919 /nfs/dbraw/zinc/23/09/19/620230919.db2.gz JSNWXTHGJZDLKK-ZDUSSCGKSA-N 2 1 300.393 3.368 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c1 ZINC000921687041 620933882 /nfs/dbraw/zinc/93/38/82/620933882.db2.gz VWUKUBAUKLGPTL-HSALFYBXSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000921915603 620968193 /nfs/dbraw/zinc/96/81/93/620968193.db2.gz VINRUGSTLKENHZ-AKHDSKFASA-N 2 1 308.510 3.149 20 0 DGADMP CS[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182032 621002108 /nfs/dbraw/zinc/00/21/08/621002108.db2.gz DREIFLYKMILMIL-XSLAGTTESA-N 2 1 319.518 3.338 20 0 DGADMP CS[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182032 621002112 /nfs/dbraw/zinc/00/21/12/621002112.db2.gz DREIFLYKMILMIL-XSLAGTTESA-N 2 1 319.518 3.338 20 0 DGADMP CCCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597868 621006764 /nfs/dbraw/zinc/00/67/64/621006764.db2.gz CNGXMNDRKPXUHK-SFHVURJKSA-N 2 1 305.466 3.175 20 0 DGADMP CCCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597868 621006766 /nfs/dbraw/zinc/00/67/66/621006766.db2.gz CNGXMNDRKPXUHK-SFHVURJKSA-N 2 1 305.466 3.175 20 0 DGADMP CCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597868 621006769 /nfs/dbraw/zinc/00/67/69/621006769.db2.gz CNGXMNDRKPXUHK-SFHVURJKSA-N 2 1 305.466 3.175 20 0 DGADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/Cl)C2)ccn1 ZINC000856597210 621006893 /nfs/dbraw/zinc/00/68/93/621006893.db2.gz FRFQGAYTKCPKNI-PFWMLDTASA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/Cl)C2)ccn1 ZINC000856597210 621006897 /nfs/dbraw/zinc/00/68/97/621006897.db2.gz FRFQGAYTKCPKNI-PFWMLDTASA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C/Cl)C2)ccn1 ZINC000856597210 621006900 /nfs/dbraw/zinc/00/69/00/621006900.db2.gz FRFQGAYTKCPKNI-PFWMLDTASA-N 2 1 323.868 3.127 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C/Cl)C2)ccn1 ZINC000856597210 621006906 /nfs/dbraw/zinc/00/69/06/621006906.db2.gz FRFQGAYTKCPKNI-PFWMLDTASA-N 2 1 323.868 3.127 20 0 DGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000922268446 621015779 /nfs/dbraw/zinc/01/57/79/621015779.db2.gz GCMRBHAMPOKDOZ-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCCC1 ZINC000857901887 621129348 /nfs/dbraw/zinc/12/93/48/621129348.db2.gz NTPJDRWYEQTGII-DZGCQCFKSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)CC1(C)C ZINC000922963308 621140320 /nfs/dbraw/zinc/14/03/20/621140320.db2.gz LTXNBYHNGFTERW-HKUYNNGSSA-N 2 1 302.462 3.155 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC000858097502 621152232 /nfs/dbraw/zinc/15/22/32/621152232.db2.gz OTXXEJDKGLBVAR-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1(C)C ZINC000858139592 621156836 /nfs/dbraw/zinc/15/68/36/621156836.db2.gz WVPZICIYTJDTTC-MSOLQXFVSA-N 2 1 318.505 3.480 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccccc2)O1 ZINC000923308187 621173897 /nfs/dbraw/zinc/17/38/97/621173897.db2.gz GBCNQJGLVQJAGT-NSEAXLEKSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]1C[C@@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000923323582 621176430 /nfs/dbraw/zinc/17/64/30/621176430.db2.gz USVYJWKRAOPKQD-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000923345633 621178562 /nfs/dbraw/zinc/17/85/62/621178562.db2.gz MDYVZMOOIMPGCG-KMUNFCNLSA-N 2 1 317.260 3.086 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000923345633 621178565 /nfs/dbraw/zinc/17/85/65/621178565.db2.gz MDYVZMOOIMPGCG-KMUNFCNLSA-N 2 1 317.260 3.086 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC000923386503 621180745 /nfs/dbraw/zinc/18/07/45/621180745.db2.gz CBQDMTQXGUBKEB-KURKYZTESA-N 2 1 306.494 3.175 20 0 DGADMP C(C[N@H+]1CCC[C@H](OC2CCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923416234 621181815 /nfs/dbraw/zinc/18/18/15/621181815.db2.gz UVKWIUFHOXIQLX-PHSGOXPASA-N 2 1 306.494 3.331 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)sn1 ZINC000923424039 621182733 /nfs/dbraw/zinc/18/27/33/621182733.db2.gz FKVXJPPEPWVCFV-XJKSGUPXSA-N 2 1 323.506 3.271 20 0 DGADMP c1csc(C[C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923433055 621184436 /nfs/dbraw/zinc/18/44/36/621184436.db2.gz VKBDAGALBWNKMR-YNBOMUFVSA-N 2 1 319.518 3.318 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000923487862 621187029 /nfs/dbraw/zinc/18/70/29/621187029.db2.gz IHLVFLARCWKRDF-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000923486901 621187097 /nfs/dbraw/zinc/18/70/97/621187097.db2.gz VFQIKWLJGRYAFJ-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485132 621187533 /nfs/dbraw/zinc/18/75/33/621187533.db2.gz GDOXXTAZHWEFNQ-RYUDHWBXSA-N 2 1 320.824 3.122 20 0 DGADMP C[C@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1C[NH3+] ZINC000923502160 621187887 /nfs/dbraw/zinc/18/78/87/621187887.db2.gz XTPQIBDFCLSBKR-GXTWGEPZSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000923502238 621188072 /nfs/dbraw/zinc/18/80/72/621188072.db2.gz ARYIJXXQQIFYMZ-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000923502238 621188073 /nfs/dbraw/zinc/18/80/73/621188073.db2.gz ARYIJXXQQIFYMZ-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1C[NH3+] ZINC000923488389 621188219 /nfs/dbraw/zinc/18/82/19/621188219.db2.gz FAATUQBYUOIPIH-UKRRQHHQSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1C[NH3+] ZINC000923488388 621188320 /nfs/dbraw/zinc/18/83/20/621188320.db2.gz FAATUQBYUOIPIH-HIFRSBDPSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC[C@H]1C[NH3+] ZINC000923493702 621188385 /nfs/dbraw/zinc/18/83/85/621188385.db2.gz UCHLBTUUQUYTBX-XGXHKWSGSA-N 2 1 302.462 3.214 20 0 DGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c(CO)c2)[C@H]1c1cccs1 ZINC000858422860 621188666 /nfs/dbraw/zinc/18/86/66/621188666.db2.gz QYEYZVZCYGNQQR-DYVFJYSZSA-N 2 1 317.458 3.130 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923497968 621188754 /nfs/dbraw/zinc/18/87/54/621188754.db2.gz NTNQUGVWAMQQNN-GXTWGEPZSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923497694 621188834 /nfs/dbraw/zinc/18/88/34/621188834.db2.gz JBHMZPMAMJXWAN-KKUMJFAQSA-N 2 1 314.433 3.023 20 0 DGADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498913 621188847 /nfs/dbraw/zinc/18/88/47/621188847.db2.gz QTSOZHDIHTZQPY-FRRDWIJNSA-N 2 1 311.267 3.427 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499863 621189330 /nfs/dbraw/zinc/18/93/30/621189330.db2.gz MTOFTHKOXYPCJU-AAEUAGOBSA-N 2 1 305.447 3.128 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@@H]1C[NH3+] ZINC000923501848 621189334 /nfs/dbraw/zinc/18/93/34/621189334.db2.gz WECCDQIUWSXYTF-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499765 621189411 /nfs/dbraw/zinc/18/94/11/621189411.db2.gz TYPUPUUSIOFBFM-STQMWFEESA-N 2 1 316.367 3.044 20 0 DGADMP C(C[N@H+]1CCC[C@@H](C2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923550633 621193692 /nfs/dbraw/zinc/19/36/92/621193692.db2.gz ZXIMWJQRDCTSEY-OTHOMEOQSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@]1(CNc2cc[nH+]c(CO)c2)CCC[N@H+]1Cc1ccccc1 ZINC000858490655 621197821 /nfs/dbraw/zinc/19/78/21/621197821.db2.gz LGAYMJSFFXQSHF-IBGZPJMESA-N 2 1 311.429 3.041 20 0 DGADMP COC1CC(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000859117189 621250675 /nfs/dbraw/zinc/25/06/75/621250675.db2.gz SGNLMJPMBIETPT-UHFFFAOYSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1nsc(C)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213618 621261237 /nfs/dbraw/zinc/26/12/37/621261237.db2.gz XMQBSIPANIZOKP-UHFFFAOYSA-N 2 1 303.475 3.454 20 0 DGADMP Cc1nsc(C)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213618 621261239 /nfs/dbraw/zinc/26/12/39/621261239.db2.gz XMQBSIPANIZOKP-UHFFFAOYSA-N 2 1 303.475 3.454 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000755038762 621548452 /nfs/dbraw/zinc/54/84/52/621548452.db2.gz BYMFZJJLODANRM-MOPGFXCFSA-N 2 1 304.478 3.306 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000755038762 621548453 /nfs/dbraw/zinc/54/84/53/621548453.db2.gz BYMFZJJLODANRM-MOPGFXCFSA-N 2 1 304.478 3.306 20 0 DGADMP Cc1c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccnc1F ZINC000862308556 621573907 /nfs/dbraw/zinc/57/39/07/621573907.db2.gz FPODFDOWVHAWQS-ZBFHGGJFSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccnc1F ZINC000862308556 621573910 /nfs/dbraw/zinc/57/39/10/621573910.db2.gz FPODFDOWVHAWQS-ZBFHGGJFSA-N 2 1 305.441 3.272 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863540824 621681996 /nfs/dbraw/zinc/68/19/96/621681996.db2.gz DTGWMZMTHDEIIS-UHFFFAOYSA-N 2 1 301.478 3.343 20 0 DGADMP Fc1ccccc1-c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)co1 ZINC000863541397 621682277 /nfs/dbraw/zinc/68/22/77/621682277.db2.gz HYJDCRBDMMEWCL-UHFFFAOYSA-N 2 1 315.392 3.056 20 0 DGADMP c1nc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1C1CC1 ZINC000865405309 621911556 /nfs/dbraw/zinc/91/15/56/621911556.db2.gz VZHPSSFLEYQIGQ-UHFFFAOYSA-N 2 1 324.472 3.494 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865428208 621918035 /nfs/dbraw/zinc/91/80/35/621918035.db2.gz QGAJEYHWCSXBHF-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865428208 621918039 /nfs/dbraw/zinc/91/80/39/621918039.db2.gz QGAJEYHWCSXBHF-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865435719 621920077 /nfs/dbraw/zinc/92/00/77/621920077.db2.gz OFLUQQSEBRIIIC-GFCCVEGCSA-N 2 1 316.367 3.247 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865435719 621920079 /nfs/dbraw/zinc/92/00/79/621920079.db2.gz OFLUQQSEBRIIIC-GFCCVEGCSA-N 2 1 316.367 3.247 20 0 DGADMP Cc1cc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2cc1F ZINC000865741864 621986904 /nfs/dbraw/zinc/98/69/04/621986904.db2.gz KZUKHLDFTHMOBZ-HOTGVXAUSA-N 2 1 315.436 3.374 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804793 621998011 /nfs/dbraw/zinc/99/80/11/621998011.db2.gz HZGGYLJQQIQFLS-AEFFLSMTSA-N 2 1 306.494 3.475 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804793 621998012 /nfs/dbraw/zinc/99/80/12/621998012.db2.gz HZGGYLJQQIQFLS-AEFFLSMTSA-N 2 1 306.494 3.475 20 0 DGADMP c1cncc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)c1 ZINC000865833158 622003317 /nfs/dbraw/zinc/00/33/17/622003317.db2.gz BLXXDOZUDGUODX-ZCNNSNEGSA-N 2 1 313.489 3.399 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876567 622013587 /nfs/dbraw/zinc/01/35/87/622013587.db2.gz KWVIRMBQUAJGLK-QRQLOZEOSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000865876567 622013589 /nfs/dbraw/zinc/01/35/89/622013589.db2.gz KWVIRMBQUAJGLK-QRQLOZEOSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000866222813 622069552 /nfs/dbraw/zinc/06/95/52/622069552.db2.gz XNOLQEDOVWJQAA-SFHVURJKSA-N 2 1 323.484 3.441 20 0 DGADMP C[C@@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000866222813 622069554 /nfs/dbraw/zinc/06/95/54/622069554.db2.gz XNOLQEDOVWJQAA-SFHVURJKSA-N 2 1 323.484 3.441 20 0 DGADMP CC[NH+]1CCC(CC[NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866273246 622082527 /nfs/dbraw/zinc/08/25/27/622082527.db2.gz HRPIODBQWHSZLN-WMZOPIPTSA-N 2 1 306.425 3.170 20 0 DGADMP CC(=O)Oc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000762632778 622088244 /nfs/dbraw/zinc/08/82/44/622088244.db2.gz JLSRIKHOKNEFLG-UHFFFAOYSA-N 2 1 318.461 3.164 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCO1 ZINC000762652249 622089576 /nfs/dbraw/zinc/08/95/76/622089576.db2.gz XPTSQEHONRWCPL-YDZRNGNQSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCO1 ZINC000762652249 622089577 /nfs/dbraw/zinc/08/95/77/622089577.db2.gz XPTSQEHONRWCPL-YDZRNGNQSA-N 2 1 308.510 3.436 20 0 DGADMP C([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393978 622109723 /nfs/dbraw/zinc/10/97/23/622109723.db2.gz UKXBVUZIPSPGAS-UHOSZYNNSA-N 2 1 306.494 3.046 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000866486723 622125770 /nfs/dbraw/zinc/12/57/70/622125770.db2.gz OYORTISAQKQZOI-LEUOFYLZSA-N 2 1 304.503 3.381 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000866486723 622125772 /nfs/dbraw/zinc/12/57/72/622125772.db2.gz OYORTISAQKQZOI-LEUOFYLZSA-N 2 1 304.503 3.381 20 0 DGADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666460 622154235 /nfs/dbraw/zinc/15/42/35/622154235.db2.gz RZYRRUBPISSBHA-RYUDHWBXSA-N 2 1 314.260 3.210 20 0 DGADMP COC(=O)c1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)s1 ZINC000866707018 622158635 /nfs/dbraw/zinc/15/86/35/622158635.db2.gz LCYLWXHXTDGLGW-KRWDZBQOSA-N 2 1 324.490 3.040 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000121816508 622183719 /nfs/dbraw/zinc/18/37/19/622183719.db2.gz YPRFGLYVSYALNF-WMZOPIPTSA-N 2 1 304.478 3.338 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@H]2CCOC2)c1 ZINC000765399131 622262953 /nfs/dbraw/zinc/26/29/53/622262953.db2.gz BAOAIQBXYUTXOS-VQIMIIECSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)c1 ZINC000765399127 622262958 /nfs/dbraw/zinc/26/29/58/622262958.db2.gz BAOAIQBXYUTXOS-LPHOPBHVSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@H](C)C1 ZINC000765453040 622265999 /nfs/dbraw/zinc/26/59/99/622265999.db2.gz JJPAWMAIYACFNR-XLIONFOSSA-N 2 1 321.553 3.351 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccco2)CC1 ZINC000765456553 622266594 /nfs/dbraw/zinc/26/65/94/622266594.db2.gz CZHDHVBABSWNRG-UHFFFAOYSA-N 2 1 323.396 3.159 20 0 DGADMP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765979198 622298121 /nfs/dbraw/zinc/29/81/21/622298121.db2.gz WODHCPDWRZBKDK-ZBFHGGJFSA-N 2 1 308.491 3.351 20 0 DGADMP COCC[NH+]1CCC([NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000766062755 622302946 /nfs/dbraw/zinc/30/29/46/622302946.db2.gz ADWIPSLPJWLODV-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000766139927 622308733 /nfs/dbraw/zinc/30/87/33/622308733.db2.gz JQBLXZXVUFSMIC-ZTFGCOKTSA-N 2 1 320.477 3.254 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCNc3ccccc3)CC2)cc1 ZINC000766515427 622335804 /nfs/dbraw/zinc/33/58/04/622335804.db2.gz OZDGKLHDNRROBH-UHFFFAOYSA-N 2 1 323.484 3.395 20 0 DGADMP Cc1cc(Cl)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000768506232 622460436 /nfs/dbraw/zinc/46/04/36/622460436.db2.gz YNFMZCHLSCONJM-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769404803 622525017 /nfs/dbraw/zinc/52/50/17/622525017.db2.gz QGWGLSCUPUGRIT-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769404803 622525020 /nfs/dbraw/zinc/52/50/20/622525020.db2.gz QGWGLSCUPUGRIT-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C1CCC([N@H+]2CCC[C@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871798003 622702436 /nfs/dbraw/zinc/70/24/36/622702436.db2.gz ABNBPOLEQRZLOV-HUORLRHWSA-N 2 1 316.449 3.147 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872020469 622755201 /nfs/dbraw/zinc/75/52/01/622755201.db2.gz IIHYQANYSNVNOW-UXHICEINSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872020469 622755202 /nfs/dbraw/zinc/75/52/02/622755202.db2.gz IIHYQANYSNVNOW-UXHICEINSA-N 2 1 316.489 3.230 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(O)ccc1F ZINC000872021722 622756156 /nfs/dbraw/zinc/75/61/56/622756156.db2.gz SZZIIBOYYAWMJL-ZDUSSCGKSA-N 2 1 302.393 3.444 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCCc3ccccc3C2)CCOCC1 ZINC000872033806 622765025 /nfs/dbraw/zinc/76/50/25/622765025.db2.gz GFVHNOJUAYMQCS-LJQANCHMSA-N 2 1 316.489 3.025 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCCOC1 ZINC000872035914 622765558 /nfs/dbraw/zinc/76/55/58/622765558.db2.gz ZKXMXYWWYNMZQC-RBUKOAKNSA-N 2 1 304.478 3.433 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCCOC1 ZINC000872060127 622782541 /nfs/dbraw/zinc/78/25/41/622782541.db2.gz MHSBFFCMHVOFMZ-NTDBWNAOSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000872080674 622793617 /nfs/dbraw/zinc/79/36/17/622793617.db2.gz BRPJDDUNLSFFMW-ZGXWSNOMSA-N 2 1 316.489 3.127 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148483 622833385 /nfs/dbraw/zinc/83/33/85/622833385.db2.gz JIKBCUOJAGTRJI-KWCYVHTRSA-N 2 1 304.331 3.346 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148483 622833390 /nfs/dbraw/zinc/83/33/90/622833390.db2.gz JIKBCUOJAGTRJI-KWCYVHTRSA-N 2 1 304.331 3.346 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1C(F)(F)F ZINC000872150468 622833574 /nfs/dbraw/zinc/83/35/74/622833574.db2.gz VYKATYXPGMQSAL-DFBGVHRSSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1C(F)(F)F ZINC000872150468 622833580 /nfs/dbraw/zinc/83/35/80/622833580.db2.gz VYKATYXPGMQSAL-DFBGVHRSSA-N 2 1 316.342 3.272 20 0 DGADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156283 622836630 /nfs/dbraw/zinc/83/66/30/622836630.db2.gz HHIJXJBNWCFJBL-OFQRWUPVSA-N 2 1 320.481 3.313 20 0 DGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155780 622836701 /nfs/dbraw/zinc/83/67/01/622836701.db2.gz ZGZNTRGYMIOGPC-AWEZNQCLSA-N 2 1 302.422 3.249 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156095 622837447 /nfs/dbraw/zinc/83/74/47/622837447.db2.gz DRWAGNNRBNHJTM-FUHWJXTLSA-N 2 1 324.509 3.339 20 0 DGADMP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872455300 622917545 /nfs/dbraw/zinc/91/75/45/622917545.db2.gz OLGFDSLKRPEAJS-HNNXBMFYSA-N 2 1 308.429 3.237 20 0 DGADMP Cc1ccc(CNc2cc[nH+]cc2C2CC2)c(N2CCCC2)[nH+]1 ZINC000872506401 622925626 /nfs/dbraw/zinc/92/56/26/622925626.db2.gz VDMGBDNGDBVNKW-UHFFFAOYSA-N 2 1 308.429 3.297 20 0 DGADMP Cc1csc(C(C)(C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)n1 ZINC000873206861 623074017 /nfs/dbraw/zinc/07/40/17/623074017.db2.gz MQWYDOSZCBAYJZ-UHFFFAOYSA-N 2 1 307.488 3.184 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C12CCC2 ZINC000873207581 623074094 /nfs/dbraw/zinc/07/40/94/623074094.db2.gz XIGSFRODRCTBJG-DLBZAZTESA-N 2 1 320.502 3.173 20 0 DGADMP Fc1ccc2c(c1)CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873206531 623074630 /nfs/dbraw/zinc/07/46/30/623074630.db2.gz HLXJITAJPTVYRM-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP Fc1ccc2c(c1)CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873206531 623074635 /nfs/dbraw/zinc/07/46/35/623074635.db2.gz HLXJITAJPTVYRM-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(OC)cc1 ZINC000873203366 623074768 /nfs/dbraw/zinc/07/47/68/623074768.db2.gz AWOKZSMKBATKGL-UHFFFAOYSA-N 2 1 316.470 3.425 20 0 DGADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211322 623076073 /nfs/dbraw/zinc/07/60/73/623076073.db2.gz YNIAGDDKINAGDM-JOYOIKCWSA-N 2 1 304.381 3.167 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000873223644 623079966 /nfs/dbraw/zinc/07/99/66/623079966.db2.gz QJESEUYICKRQMG-IBGZPJMESA-N 2 1 312.461 3.274 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873224273 623081533 /nfs/dbraw/zinc/08/15/33/623081533.db2.gz ZDFDJOAZEOCMSC-LJQANCHMSA-N 2 1 320.477 3.209 20 0 DGADMP CC[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000873229153 623082352 /nfs/dbraw/zinc/08/23/52/623082352.db2.gz YENXWZJRBQTJET-BPLDGKMQSA-N 2 1 300.368 3.249 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000873229101 623083176 /nfs/dbraw/zinc/08/31/76/623083176.db2.gz XBXYZYKKVPYHLH-WCQYABFASA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000873229101 623083180 /nfs/dbraw/zinc/08/31/80/623083180.db2.gz XBXYZYKKVPYHLH-WCQYABFASA-N 2 1 314.376 3.470 20 0 DGADMP CCn1ccnc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231956 623084398 /nfs/dbraw/zinc/08/43/98/623084398.db2.gz HIEQPUDIAWWZKL-DOTOQJQBSA-N 2 1 304.482 3.023 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231584 623085276 /nfs/dbraw/zinc/08/52/76/623085276.db2.gz PQEZAMQFBCMXAK-UHFFFAOYSA-N 2 1 300.450 3.132 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873272367 623100202 /nfs/dbraw/zinc/10/02/02/623100202.db2.gz SUKNSXCYYNNJAJ-CABCVRRESA-N 3 1 312.461 3.219 20 0 DGADMP C[C@@H](SC[C@@H]1CC[N@@H+](C)C1)[C@H](C)SC[C@@H]1CC[NH+](C)C1 ZINC000790284131 625627895 /nfs/dbraw/zinc/62/78/95/625627895.db2.gz ULYPEYRDBRYRHC-QKPAOTATSA-N 2 1 316.580 3.133 20 0 DGADMP C[C@@H](SC[C@@H]1CC[NH+](C)C1)[C@H](C)SC[C@@H]1CC[N@H+](C)C1 ZINC000790284131 625627900 /nfs/dbraw/zinc/62/79/00/625627900.db2.gz ULYPEYRDBRYRHC-QKPAOTATSA-N 2 1 316.580 3.133 20 0 DGADMP C[C@@H](SC[C@@H]1CC[NH+](C)C1)[C@H](C)SC[C@@H]1CC[N@@H+](C)C1 ZINC000790284131 625627903 /nfs/dbraw/zinc/62/79/03/625627903.db2.gz ULYPEYRDBRYRHC-QKPAOTATSA-N 2 1 316.580 3.133 20 0 DGADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1ccccc1 ZINC000776168821 623388428 /nfs/dbraw/zinc/38/84/28/623388428.db2.gz RDUXSJPXEWKQDF-HNNXBMFYSA-N 2 1 310.445 3.093 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777595040 623546639 /nfs/dbraw/zinc/54/66/39/623546639.db2.gz NWUQVAZPBPFXKN-GOSISDBHSA-N 2 1 308.441 3.089 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)F)cc1F)CC1CC[NH+](C)CC1 ZINC000876690943 623683862 /nfs/dbraw/zinc/68/38/62/623683862.db2.gz VRMZHQKTEIZQEZ-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP CCOP(=O)(CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OCC ZINC000876764007 623701106 /nfs/dbraw/zinc/70/11/06/623701106.db2.gz JZTDKRXHWIIGAC-CABCVRRESA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OCC ZINC000876764007 623701107 /nfs/dbraw/zinc/70/11/07/623701107.db2.gz JZTDKRXHWIIGAC-CABCVRRESA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OCC ZINC000876764007 623701112 /nfs/dbraw/zinc/70/11/12/623701112.db2.gz JZTDKRXHWIIGAC-CABCVRRESA-N 2 1 320.414 3.057 20 0 DGADMP CCOP(=O)(CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OCC ZINC000876764007 623701115 /nfs/dbraw/zinc/70/11/15/623701115.db2.gz JZTDKRXHWIIGAC-CABCVRRESA-N 2 1 320.414 3.057 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000876902330 623740416 /nfs/dbraw/zinc/74/04/16/623740416.db2.gz MVGORPSPUCNGCD-UHFFFAOYSA-N 2 1 318.852 3.262 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000876914264 623743068 /nfs/dbraw/zinc/74/30/68/623743068.db2.gz OWMMKYCAMZYOEQ-OAHLLOKOSA-N 2 1 313.272 3.218 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000876914264 623743072 /nfs/dbraw/zinc/74/30/72/623743072.db2.gz OWMMKYCAMZYOEQ-OAHLLOKOSA-N 2 1 313.272 3.218 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000876916359 623744007 /nfs/dbraw/zinc/74/40/07/623744007.db2.gz RIXSTLCBNWXFGW-LLVKDONJSA-N 2 1 318.808 3.412 20 0 DGADMP Clc1nccc2oc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000876928742 623746744 /nfs/dbraw/zinc/74/67/44/623746744.db2.gz CKOSYCRZINWHLN-LLVKDONJSA-N 2 1 305.809 3.055 20 0 DGADMP Clc1nccc2oc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc21 ZINC000876928742 623746749 /nfs/dbraw/zinc/74/67/49/623746749.db2.gz CKOSYCRZINWHLN-LLVKDONJSA-N 2 1 305.809 3.055 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000876987999 623760453 /nfs/dbraw/zinc/76/04/53/623760453.db2.gz PRQVFJAAXDUISC-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000876988001 623760619 /nfs/dbraw/zinc/76/06/19/623760619.db2.gz PRQVFJAAXDUISC-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000877195531 623824842 /nfs/dbraw/zinc/82/48/42/623824842.db2.gz LUFSWZGSGLLDQH-UHFFFAOYSA-N 2 1 324.900 3.464 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780293194 623906848 /nfs/dbraw/zinc/90/68/48/623906848.db2.gz SDMDMONMBWMNIX-MOPGFXCFSA-N 2 1 316.489 3.149 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000877576290 623949763 /nfs/dbraw/zinc/94/97/63/623949763.db2.gz ISOQTIPJYKAPPP-VBKZILBWSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000877576290 623949766 /nfs/dbraw/zinc/94/97/66/623949766.db2.gz ISOQTIPJYKAPPP-VBKZILBWSA-N 2 1 304.415 3.173 20 0 DGADMP COCC[N@@H+](Cc1ccsc1Cl)CC1CC[NH+](C)CC1 ZINC000877664018 623982973 /nfs/dbraw/zinc/98/29/73/623982973.db2.gz FJHKYZYABQDMSF-UHFFFAOYSA-N 2 1 316.898 3.192 20 0 DGADMP COCC[N@H+](Cc1ccsc1Cl)CC1CC[NH+](C)CC1 ZINC000877664018 623982977 /nfs/dbraw/zinc/98/29/77/623982977.db2.gz FJHKYZYABQDMSF-UHFFFAOYSA-N 2 1 316.898 3.192 20 0 DGADMP COCC[N@@H+](C/C=C\c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000877664175 623983209 /nfs/dbraw/zinc/98/32/09/623983209.db2.gz JAGNBJQIXBXFEZ-ARJAWSKDSA-N 2 1 320.452 3.129 20 0 DGADMP COCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)CC1CC[NH+](C)CC1 ZINC000877665324 623983899 /nfs/dbraw/zinc/98/38/99/623983899.db2.gz QWBNLTUVSDMVIX-MAUKXSAKSA-N 2 1 320.477 3.193 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739550 624012119 /nfs/dbraw/zinc/01/21/19/624012119.db2.gz HFAHRVWXBCBUFU-IEBWSBKVSA-N 2 1 300.446 3.001 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739550 624012121 /nfs/dbraw/zinc/01/21/21/624012121.db2.gz HFAHRVWXBCBUFU-IEBWSBKVSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739550 624012126 /nfs/dbraw/zinc/01/21/26/624012126.db2.gz HFAHRVWXBCBUFU-IEBWSBKVSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739550 624012129 /nfs/dbraw/zinc/01/21/29/624012129.db2.gz HFAHRVWXBCBUFU-IEBWSBKVSA-N 2 1 300.446 3.001 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1CC1(Cl)Cl)CC1CC[NH+](C)CC1 ZINC000877767427 624028400 /nfs/dbraw/zinc/02/84/00/624028400.db2.gz INIZESBJDVPTOV-AWEZNQCLSA-N 2 1 307.309 3.480 20 0 DGADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000877959992 624110930 /nfs/dbraw/zinc/11/09/30/624110930.db2.gz XOMWTFLKROTSGL-RBUKOAKNSA-N 2 1 302.462 3.323 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000877977156 624121510 /nfs/dbraw/zinc/12/15/10/624121510.db2.gz UMYJSSNTPCIMFF-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000877988745 624126580 /nfs/dbraw/zinc/12/65/80/624126580.db2.gz KTDVTWLXASQDRI-UHFFFAOYSA-N 2 1 319.493 3.353 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878164378 624195967 /nfs/dbraw/zinc/19/59/67/624195967.db2.gz FRTIFCVEYHDOEZ-OALUTQOASA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878164378 624195969 /nfs/dbraw/zinc/19/59/69/624195969.db2.gz FRTIFCVEYHDOEZ-OALUTQOASA-N 2 1 302.462 3.323 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878166747 624197816 /nfs/dbraw/zinc/19/78/16/624197816.db2.gz DRPFLDHPKRUBPV-WDSOQIARSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878166747 624197817 /nfs/dbraw/zinc/19/78/17/624197817.db2.gz DRPFLDHPKRUBPV-WDSOQIARSA-N 2 1 302.462 3.180 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878166747 624197818 /nfs/dbraw/zinc/19/78/18/624197818.db2.gz DRPFLDHPKRUBPV-WDSOQIARSA-N 2 1 302.462 3.180 20 0 DGADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173129 624202284 /nfs/dbraw/zinc/20/22/84/624202284.db2.gz SNQHLWNMCMNFHB-FRYIKTPZSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173129 624202287 /nfs/dbraw/zinc/20/22/87/624202287.db2.gz SNQHLWNMCMNFHB-FRYIKTPZSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173129 624202289 /nfs/dbraw/zinc/20/22/89/624202289.db2.gz SNQHLWNMCMNFHB-FRYIKTPZSA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000878173129 624202292 /nfs/dbraw/zinc/20/22/92/624202292.db2.gz SNQHLWNMCMNFHB-FRYIKTPZSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412596 624271286 /nfs/dbraw/zinc/27/12/86/624271286.db2.gz WFPTWGZJQYQLOZ-JZXOWHBKSA-N 2 1 308.510 3.434 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782755793 624279996 /nfs/dbraw/zinc/27/99/96/624279996.db2.gz AOHVEWRVRSJEHX-FXAWDEMLSA-N 2 1 316.489 3.476 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000878550281 624305187 /nfs/dbraw/zinc/30/51/87/624305187.db2.gz YSNNTGMMZMNMKK-INIZCTEOSA-N 2 1 308.510 3.388 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2ccccc2C)CC1 ZINC000879206847 624451084 /nfs/dbraw/zinc/45/10/84/624451084.db2.gz WUBINBQYAOQASK-IBGZPJMESA-N 2 1 316.489 3.369 20 0 DGADMP CC(=O)c1c(C)cc(C)c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000879569017 624594013 /nfs/dbraw/zinc/59/40/13/624594013.db2.gz HNBNBHIXICPGLH-MJGOQNOKSA-N 2 1 314.473 3.340 20 0 DGADMP Cc1ccc([C@@H](O)C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC000879948339 624728428 /nfs/dbraw/zinc/72/84/28/624728428.db2.gz BSSMVIQIRJBJOR-IBGZPJMESA-N 2 1 316.489 3.369 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102621 624788175 /nfs/dbraw/zinc/78/81/75/624788175.db2.gz AINHOIYRBJDDAL-LBPRGKRZSA-N 2 1 303.372 3.483 20 0 DGADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142728 624806762 /nfs/dbraw/zinc/80/67/62/624806762.db2.gz TXINDTFTTKXHEB-MSOLQXFVSA-N 2 1 317.864 3.463 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000880255233 624871698 /nfs/dbraw/zinc/87/16/98/624871698.db2.gz FFBLRQAHCHPXFO-GOSISDBHSA-N 2 1 307.526 3.201 20 0 DGADMP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260020 624874934 /nfs/dbraw/zinc/87/49/34/624874934.db2.gz MDHYMAINASASNX-LSDHHAIUSA-N 2 1 322.412 3.495 20 0 DGADMP C[C@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260020 624874940 /nfs/dbraw/zinc/87/49/40/624874940.db2.gz MDHYMAINASASNX-LSDHHAIUSA-N 2 1 322.412 3.495 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[C@@H](O)c1ccccc1 ZINC000880517180 624971444 /nfs/dbraw/zinc/97/14/44/624971444.db2.gz KWHJNUNAAXNTOE-LJQANCHMSA-N 2 1 304.478 3.308 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880556995 624977872 /nfs/dbraw/zinc/97/78/72/624977872.db2.gz WELUYNKAUJMBFE-IBGZPJMESA-N 2 1 324.472 3.456 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880556995 624977876 /nfs/dbraw/zinc/97/78/76/624977876.db2.gz WELUYNKAUJMBFE-IBGZPJMESA-N 2 1 324.472 3.456 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c(OC)c1 ZINC000788471813 625188447 /nfs/dbraw/zinc/18/84/47/625188447.db2.gz UFWNFUIPYIUWGM-SFHVURJKSA-N 2 1 318.461 3.183 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000882897307 625848981 /nfs/dbraw/zinc/84/89/81/625848981.db2.gz GBGWNZUHOURHGR-QZTJIDSGSA-N 2 1 316.489 3.475 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000882897306 625849599 /nfs/dbraw/zinc/84/95/99/625849599.db2.gz GBGWNZUHOURHGR-MSOLQXFVSA-N 2 1 316.489 3.475 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+]CCn2cc[nH+]c2C)c1C ZINC000882945173 625868581 /nfs/dbraw/zinc/86/85/81/625868581.db2.gz KYVVDYMTFMZBPL-UHFFFAOYSA-N 2 1 301.434 3.053 20 0 DGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000883078842 625919437 /nfs/dbraw/zinc/91/94/37/625919437.db2.gz DNBFHIPVWMYXEO-UHFFFAOYSA-N 2 1 319.449 3.219 20 0 DGADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883189220 625962723 /nfs/dbraw/zinc/96/27/23/625962723.db2.gz BMZXWVLVCVHZHE-BPQIPLTHSA-N 2 1 308.510 3.434 20 0 DGADMP COc1c(C)cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000796949171 626098690 /nfs/dbraw/zinc/09/86/90/626098690.db2.gz OLJKZZVYSSMSGC-LBPRGKRZSA-N 2 1 307.825 3.284 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc(Cl)n1 ZINC000798956761 626262294 /nfs/dbraw/zinc/26/22/94/626262294.db2.gz NMIDZNBULIBORL-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)CC1 ZINC000798957250 626262555 /nfs/dbraw/zinc/26/25/55/626262555.db2.gz PGANDXWGIGJNLT-UHFFFAOYSA-N 2 1 319.518 3.330 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998471 626342143 /nfs/dbraw/zinc/34/21/43/626342143.db2.gz ZRUTUMMWGIQWQZ-ZQIUZPCESA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998471 626342146 /nfs/dbraw/zinc/34/21/46/626342146.db2.gz ZRUTUMMWGIQWQZ-ZQIUZPCESA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998471 626342148 /nfs/dbraw/zinc/34/21/48/626342148.db2.gz ZRUTUMMWGIQWQZ-ZQIUZPCESA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000799998471 626342151 /nfs/dbraw/zinc/34/21/51/626342151.db2.gz ZRUTUMMWGIQWQZ-ZQIUZPCESA-N 2 1 310.869 3.178 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C=CCC3)CC2)cc1 ZINC000883238370 626619802 /nfs/dbraw/zinc/61/98/02/626619802.db2.gz ZWZFNSZPKKKCSZ-QGZVFWFLSA-N 2 1 302.437 3.388 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000883417926 626678225 /nfs/dbraw/zinc/67/82/25/626678225.db2.gz RRNBLVCZWFNSEX-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccccc2Br)C1 ZINC000883417926 626678226 /nfs/dbraw/zinc/67/82/26/626678226.db2.gz RRNBLVCZWFNSEX-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424368 626679528 /nfs/dbraw/zinc/67/95/28/626679528.db2.gz PMXLUMFGXYZTOR-NMLBUPMWSA-N 2 1 314.473 3.371 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429123 626679929 /nfs/dbraw/zinc/67/99/29/626679929.db2.gz MHGJWXYWEWPGEW-YESZJQIVSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428508 626680209 /nfs/dbraw/zinc/68/02/09/626680209.db2.gz WDJXVNQEPHOERH-LJQANCHMSA-N 2 1 311.429 3.226 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428508 626680211 /nfs/dbraw/zinc/68/02/11/626680211.db2.gz WDJXVNQEPHOERH-LJQANCHMSA-N 2 1 311.429 3.226 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000883430144 626680823 /nfs/dbraw/zinc/68/08/23/626680823.db2.gz NUUWNQPIAYHXOU-ZRNYENFQSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@@H]1C[NH3+] ZINC000883432940 626681131 /nfs/dbraw/zinc/68/11/31/626681131.db2.gz DVMHSYHIWPBFNB-UYKLPWQDSA-N 2 1 302.462 3.212 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC[C@H]2CCCC2(F)F)C1 ZINC000883435123 626681576 /nfs/dbraw/zinc/68/15/76/626681576.db2.gz LBLKAHDTLYRXOP-FPCVCCKLSA-N 2 1 316.436 3.173 20 0 DGADMP [NH3+]CCCCCCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000883462699 626687049 /nfs/dbraw/zinc/68/70/49/626687049.db2.gz XLSAZEJIGRBRJP-SFHVURJKSA-N 2 1 301.478 3.380 20 0 DGADMP CC[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809739002 626943909 /nfs/dbraw/zinc/94/39/09/626943909.db2.gz SVTJCFLBIVFEKO-RTBURBONSA-N 2 1 304.478 3.385 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885969666 627073358 /nfs/dbraw/zinc/07/33/58/627073358.db2.gz ZKCJTGFWXHZCCA-RDJZCZTQSA-N 2 1 305.466 3.299 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000886018515 627085580 /nfs/dbraw/zinc/08/55/80/627085580.db2.gz BNSZAIXEOONDKD-HKUYNNGSSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000886018515 627085581 /nfs/dbraw/zinc/08/55/81/627085581.db2.gz BNSZAIXEOONDKD-HKUYNNGSSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000886018515 627085585 /nfs/dbraw/zinc/08/55/85/627085585.db2.gz BNSZAIXEOONDKD-HKUYNNGSSA-N 2 1 304.478 3.113 20 0 DGADMP C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067211 627097759 /nfs/dbraw/zinc/09/77/59/627097759.db2.gz IMHDQHSNYPMFBM-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067211 627097762 /nfs/dbraw/zinc/09/77/62/627097762.db2.gz IMHDQHSNYPMFBM-AZUAARDMSA-N 2 1 314.473 3.009 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000886140143 627111149 /nfs/dbraw/zinc/11/11/49/627111149.db2.gz AUDSVNLGYCEMHZ-WZGPROSRSA-N 2 1 308.510 3.149 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000886140142 627111163 /nfs/dbraw/zinc/11/11/63/627111163.db2.gz AUDSVNLGYCEMHZ-OQIJWPOYSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886202908 627120812 /nfs/dbraw/zinc/12/08/12/627120812.db2.gz HSACDZNHGFFNIN-BLMTVLTRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000886202908 627120813 /nfs/dbraw/zinc/12/08/13/627120813.db2.gz HSACDZNHGFFNIN-BLMTVLTRSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000886202908 627120815 /nfs/dbraw/zinc/12/08/15/627120815.db2.gz HSACDZNHGFFNIN-BLMTVLTRSA-N 2 1 316.489 3.396 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)s1 ZINC000886343523 627141049 /nfs/dbraw/zinc/14/10/49/627141049.db2.gz ZNKWAALNVCIKIL-INIZCTEOSA-N 2 1 323.506 3.034 20 0 DGADMP CCn1nccc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886639402 627177646 /nfs/dbraw/zinc/17/76/46/627177646.db2.gz CNTDLZOEPVMEIQ-NSHGMRRFSA-N 2 1 324.472 3.046 20 0 DGADMP CCn1nccc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886639402 627177649 /nfs/dbraw/zinc/17/76/49/627177649.db2.gz CNTDLZOEPVMEIQ-NSHGMRRFSA-N 2 1 324.472 3.046 20 0 DGADMP C[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646944 627179355 /nfs/dbraw/zinc/17/93/55/627179355.db2.gz YKSWSHIENVHIJN-IJXRJRJASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646944 627179357 /nfs/dbraw/zinc/17/93/57/627179357.db2.gz YKSWSHIENVHIJN-IJXRJRJASA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886646944 627179358 /nfs/dbraw/zinc/17/93/58/627179358.db2.gz YKSWSHIENVHIJN-IJXRJRJASA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C1CCCC1 ZINC000886659540 627182686 /nfs/dbraw/zinc/18/26/86/627182686.db2.gz PDPIOTGJCUAZGU-QGZVFWFLSA-N 2 1 305.466 3.411 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)[nH+]c1C ZINC000886659936 627183028 /nfs/dbraw/zinc/18/30/28/627183028.db2.gz YYKGGAXAZRJMKN-ULQDDVLXSA-N 2 1 303.450 3.164 20 0 DGADMP CCC1([NH+]2CCC2)CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000886711640 627196113 /nfs/dbraw/zinc/19/61/13/627196113.db2.gz ZYSRGJUKCWYZHR-UHFFFAOYSA-N 2 1 317.477 3.157 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1)C1CCCC1 ZINC000886841598 627211222 /nfs/dbraw/zinc/21/12/22/627211222.db2.gz QJVHFYFTJIZQAN-KANFNMMFSA-N 2 1 306.494 3.033 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCOC(C)(C)C ZINC000887135174 627228189 /nfs/dbraw/zinc/22/81/89/627228189.db2.gz XQOMATDVQYQQKO-INIZCTEOSA-N 2 1 305.466 3.187 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3cccc4ccccc43)C2)C1 ZINC000815143142 627636689 /nfs/dbraw/zinc/63/66/89/627636689.db2.gz FQXLTAMMUQZAFF-LEWJYISDSA-N 2 1 324.468 3.291 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)c3cccc4ccccc43)C2)C1 ZINC000815143142 627636692 /nfs/dbraw/zinc/63/66/92/627636692.db2.gz FQXLTAMMUQZAFF-LEWJYISDSA-N 2 1 324.468 3.291 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000924584859 627652738 /nfs/dbraw/zinc/65/27/38/627652738.db2.gz NTBJCHHTWDPBPO-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccnnc1 ZINC000924586457 627653419 /nfs/dbraw/zinc/65/34/19/627653419.db2.gz KHLKCLUACOCMIF-INIZCTEOSA-N 2 1 310.445 3.313 20 0 DGADMP Clc1ccnc2c1CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924646750 627661841 /nfs/dbraw/zinc/66/18/41/627661841.db2.gz FXHIJRNMAVNUCK-BLLLJJGKSA-N 2 1 305.853 3.186 20 0 DGADMP Clc1ccnc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924646750 627661849 /nfs/dbraw/zinc/66/18/49/627661849.db2.gz FXHIJRNMAVNUCK-BLLLJJGKSA-N 2 1 305.853 3.186 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924689398 627668086 /nfs/dbraw/zinc/66/80/86/627668086.db2.gz XITSITGIZMKZPX-LRYGQEGESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698597 627669206 /nfs/dbraw/zinc/66/92/06/627669206.db2.gz MUMOCDMZETWXLW-SNRMKQJTSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698597 627669208 /nfs/dbraw/zinc/66/92/08/627669208.db2.gz MUMOCDMZETWXLW-SNRMKQJTSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698597 627669210 /nfs/dbraw/zinc/66/92/10/627669210.db2.gz MUMOCDMZETWXLW-SNRMKQJTSA-N 2 1 301.478 3.026 20 0 DGADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924700364 627669851 /nfs/dbraw/zinc/66/98/51/627669851.db2.gz YHILWDOTZVQTQN-INIZCTEOSA-N 2 1 310.445 3.100 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(C2CCC2)c1 ZINC000924712082 627671426 /nfs/dbraw/zinc/67/14/26/627671426.db2.gz HYRMURXTRHFYMW-AWEZNQCLSA-N 2 1 302.466 3.133 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2C)CC1 ZINC000815559036 627684870 /nfs/dbraw/zinc/68/48/70/627684870.db2.gz VNHJNLBIQAAGOP-QGZVFWFLSA-N 2 1 321.484 3.202 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000815579093 627686758 /nfs/dbraw/zinc/68/67/58/627686758.db2.gz DYWDRCMPOLRXMG-ROUUACIJSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000815579636 627687058 /nfs/dbraw/zinc/68/70/58/627687058.db2.gz ROYDZSTURDNUHH-YJBOKZPZSA-N 2 1 320.452 3.428 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)c1 ZINC000924958401 627698030 /nfs/dbraw/zinc/69/80/30/627698030.db2.gz KCVXWDFAMUZGAG-OAHLLOKOSA-N 2 1 315.465 3.162 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)c1 ZINC000924958401 627698032 /nfs/dbraw/zinc/69/80/32/627698032.db2.gz KCVXWDFAMUZGAG-OAHLLOKOSA-N 2 1 315.465 3.162 20 0 DGADMP Cc1ccc([C@@H](NC[C@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012338 627701262 /nfs/dbraw/zinc/70/12/62/627701262.db2.gz UMWAITZAAHJCBR-YLJYHZDGSA-N 2 1 309.457 3.411 20 0 DGADMP CC[C@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925122215 627710905 /nfs/dbraw/zinc/71/09/05/627710905.db2.gz QIZCTOYMEVGTLQ-XUBOLADHSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925136636 627712657 /nfs/dbraw/zinc/71/26/57/627712657.db2.gz QAYXCKOWTFBHIM-AIANPOQGSA-N 2 1 308.491 3.146 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925136636 627712661 /nfs/dbraw/zinc/71/26/61/627712661.db2.gz QAYXCKOWTFBHIM-AIANPOQGSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H](CC[NH2+]C1[C@H](C)COC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000925202596 627718743 /nfs/dbraw/zinc/71/87/43/627718743.db2.gz IJAROIQCJSNOCG-ZACQAIPSSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925513324 627744805 /nfs/dbraw/zinc/74/48/05/627744805.db2.gz JDQSTKWGNYNQBQ-IEBWSBKVSA-N 3 1 303.494 3.321 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925513324 627744809 /nfs/dbraw/zinc/74/48/09/627744809.db2.gz JDQSTKWGNYNQBQ-IEBWSBKVSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925513324 627744812 /nfs/dbraw/zinc/74/48/12/627744812.db2.gz JDQSTKWGNYNQBQ-IEBWSBKVSA-N 2 1 303.494 3.321 20 0 DGADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)[NH2+]2 ZINC000925522751 627747077 /nfs/dbraw/zinc/74/70/77/627747077.db2.gz UAAAZRHHPDODSK-QLIIJSOBSA-N 3 1 319.537 3.150 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CCC[NH2+][C@H]3C)s2)cs1 ZINC000925522594 627747160 /nfs/dbraw/zinc/74/71/60/627747160.db2.gz HFPMQPZPDKYVCR-FZMZJTMJSA-N 2 1 321.515 3.453 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925527392 627747886 /nfs/dbraw/zinc/74/78/86/627747886.db2.gz NLIHEUVHEVDMPN-YSHGAJCASA-N 2 1 302.462 3.193 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541027 627750456 /nfs/dbraw/zinc/75/04/56/627750456.db2.gz GZYDRBXHYTXCQL-CMTQZCSUSA-N 2 1 315.505 3.462 20 0 DGADMP C1CCC2(C1)[NH2+]CC[C@@H]2NC1CCC([NH+]2CCCCC2)CC1 ZINC000925541770 627750483 /nfs/dbraw/zinc/75/04/83/627750483.db2.gz JMPMOLTUPGSMNV-ABHNRTSZSA-N 2 1 305.510 3.048 20 0 DGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000925543717 627751256 /nfs/dbraw/zinc/75/12/56/627751256.db2.gz ODMZDDPKBIYIPH-XLIONFOSSA-N 2 1 324.468 3.413 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925552973 627752542 /nfs/dbraw/zinc/75/25/42/627752542.db2.gz LWLCWSDHLQOWIT-XSLAGTTESA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(Br)CC2)C1 ZINC000925588731 627759509 /nfs/dbraw/zinc/75/95/09/627759509.db2.gz STBQDNWKISFMPU-UONOGXRCSA-N 2 1 317.315 3.260 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925599839 627761248 /nfs/dbraw/zinc/76/12/48/627761248.db2.gz CYUORNOBZHULDM-ILXRZTDVSA-N 2 1 308.491 3.154 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925599843 627761461 /nfs/dbraw/zinc/76/14/61/627761461.db2.gz CYUORNOBZHULDM-QLFBSQMISA-N 2 1 308.491 3.154 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)C12CCC2 ZINC000925607559 627762064 /nfs/dbraw/zinc/76/20/64/627762064.db2.gz VVOXQTNNQSPHPA-ROUUACIJSA-N 2 1 323.440 3.020 20 0 DGADMP COc1cccc2[nH]cc(CC[NH2+][C@H](c3ccccc3)[C@@H](C)[NH3+])c21 ZINC000925629508 627765655 /nfs/dbraw/zinc/76/56/55/627765655.db2.gz NOCNDTVJRHVLIM-VLIAUNLRSA-N 2 1 323.440 3.397 20 0 DGADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925644571 627769208 /nfs/dbraw/zinc/76/92/08/627769208.db2.gz NFCHCFIYDVAFHJ-QWHCGFSZSA-N 2 1 320.868 3.222 20 0 DGADMP Cc1ccc([C@H](C)N2CCc3sc(CN)nc3C2)c(C)c1 ZINC000925751385 627787693 /nfs/dbraw/zinc/78/76/93/627787693.db2.gz PDWQXGVNTDPQNY-ZDUSSCGKSA-N 2 1 301.459 3.338 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000925757968 627789721 /nfs/dbraw/zinc/78/97/21/627789721.db2.gz YBQMBHIOYRIGNW-MRXNPFEDSA-N 2 1 312.461 3.196 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000925780614 627794854 /nfs/dbraw/zinc/79/48/54/627794854.db2.gz GAEAUWQSECRLTG-FZMZJTMJSA-N 2 1 300.780 3.162 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(C)ccc1OC ZINC000925786155 627795287 /nfs/dbraw/zinc/79/52/87/627795287.db2.gz WFCCMQQBFVWQAO-ZFWWWQNUSA-N 2 1 312.404 3.289 20 0 DGADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000925790393 627795376 /nfs/dbraw/zinc/79/53/76/627795376.db2.gz FSBOCBZNCKBRAM-GUDVDZBRSA-N 2 1 314.473 3.071 20 0 DGADMP Cn1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1Cl ZINC000816486195 627796362 /nfs/dbraw/zinc/79/63/62/627796362.db2.gz SQIDMNXHUJNHHU-UHFFFAOYSA-N 2 1 324.900 3.162 20 0 DGADMP C1CC[C@@H]2C[C@H]([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)CC[C@H]2C1 ZINC000925796622 627797005 /nfs/dbraw/zinc/79/70/05/627797005.db2.gz SGOMPXKKTJZCKT-TVFCKZIOSA-N 2 1 306.494 3.094 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800854 627797338 /nfs/dbraw/zinc/79/73/38/627797338.db2.gz ZNPMQPAJDMVDBO-IIDMSEBBSA-N 3 1 312.461 3.077 20 0 DGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806497 627798259 /nfs/dbraw/zinc/79/82/59/627798259.db2.gz DYTQQJRDFCLUFE-YLJYHZDGSA-N 2 1 317.521 3.095 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC[NH2+]2)cc1 ZINC000925833048 627802157 /nfs/dbraw/zinc/80/21/57/627802157.db2.gz QDAKHLPPVMXPJW-INDMIFKZSA-N 2 1 300.446 3.029 20 0 DGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926326335 627879873 /nfs/dbraw/zinc/87/98/73/627879873.db2.gz PPZWDQOWYDQBQY-KSSFIOAISA-N 2 1 313.445 3.464 20 0 DGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326335 627879877 /nfs/dbraw/zinc/87/98/77/627879877.db2.gz PPZWDQOWYDQBQY-KSSFIOAISA-N 2 1 313.445 3.464 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000926350743 627882904 /nfs/dbraw/zinc/88/29/04/627882904.db2.gz NMOWLLDAXDGBIY-CEXWTWQISA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000926350746 627882967 /nfs/dbraw/zinc/88/29/67/627882967.db2.gz NMOWLLDAXDGBIY-FHWLQOOXSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926459703 627898649 /nfs/dbraw/zinc/89/86/49/627898649.db2.gz XLCVBDZRNZNQHA-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)O ZINC000926525277 627908812 /nfs/dbraw/zinc/90/88/12/627908812.db2.gz JNOPOOVNGHPVTL-QFMLELGNSA-N 2 1 316.489 3.321 20 0 DGADMP C[C@H]1[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000926559467 627914090 /nfs/dbraw/zinc/91/40/90/627914090.db2.gz OMOGQEJGUQYLAZ-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926573048 627916504 /nfs/dbraw/zinc/91/65/04/627916504.db2.gz IYXIMRZUKJFJJI-ZHALLVOQSA-N 2 1 301.478 3.114 20 0 DGADMP C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685587 627932611 /nfs/dbraw/zinc/93/26/11/627932611.db2.gz YFJIBIQVOAVZRN-QAPCUYQASA-N 2 1 303.494 3.272 20 0 DGADMP C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685587 627932615 /nfs/dbraw/zinc/93/26/15/627932615.db2.gz YFJIBIQVOAVZRN-QAPCUYQASA-N 2 1 303.494 3.272 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738930 627943799 /nfs/dbraw/zinc/94/37/99/627943799.db2.gz NMTWPMJQQPMXHF-IAGOWNOFSA-N 2 1 317.477 3.253 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(OC)n1 ZINC000926738930 627943800 /nfs/dbraw/zinc/94/38/00/627943800.db2.gz NMTWPMJQQPMXHF-IAGOWNOFSA-N 2 1 317.477 3.253 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000817893901 627954604 /nfs/dbraw/zinc/95/46/04/627954604.db2.gz HRRLVOPFVLLCTO-FZKQIMNGSA-N 2 1 313.445 3.176 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805248 627958251 /nfs/dbraw/zinc/95/82/51/627958251.db2.gz PCRAESCIHQKJLS-QFBILLFUSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805248 627958253 /nfs/dbraw/zinc/95/82/53/627958253.db2.gz PCRAESCIHQKJLS-QFBILLFUSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817914266 627960450 /nfs/dbraw/zinc/96/04/50/627960450.db2.gz XPPUJKTUZRPUMN-FWYOQMDTSA-N 2 1 302.443 3.295 20 0 DGADMP C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817928341 627963862 /nfs/dbraw/zinc/96/38/62/627963862.db2.gz UZJVSDRYVHFTRL-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP CC[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817928433 627963876 /nfs/dbraw/zinc/96/38/76/627963876.db2.gz WSTGNAWQODVRGD-UFYCRDLUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817928342 627964152 /nfs/dbraw/zinc/96/41/52/627964152.db2.gz UZJVSDRYVHFTRL-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000817960570 627976292 /nfs/dbraw/zinc/97/62/92/627976292.db2.gz OKUWFBPAUAHWOS-SNVBAGLBSA-N 2 1 300.244 3.012 20 0 DGADMP CC(C)C[NH+]1CCC(N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000817982695 627983762 /nfs/dbraw/zinc/98/37/62/627983762.db2.gz VMEQKRNETMVPIT-LJQANCHMSA-N 2 1 303.494 3.177 20 0 DGADMP CC(C)CN1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000817982695 627983765 /nfs/dbraw/zinc/98/37/65/627983765.db2.gz VMEQKRNETMVPIT-LJQANCHMSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818959045 628067269 /nfs/dbraw/zinc/06/72/69/628067269.db2.gz BASUWRJWVHYBOU-QAPCUYQASA-N 2 1 308.441 3.103 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000818980393 628072618 /nfs/dbraw/zinc/07/26/18/628072618.db2.gz JPNSOSHGKNEIPZ-UZLBHIALSA-N 2 1 312.457 3.195 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000818984614 628073222 /nfs/dbraw/zinc/07/32/22/628073222.db2.gz JHECQCUNMMGNAY-WMLDXEAASA-N 2 1 310.869 3.083 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819275122 628125278 /nfs/dbraw/zinc/12/52/78/628125278.db2.gz RFGHQDAIWZSTSL-CTNGQTDRSA-N 2 1 324.468 3.140 20 0 DGADMP OC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000819326656 628133677 /nfs/dbraw/zinc/13/36/77/628133677.db2.gz UDFLSQIGLWECFD-YQQQUEKLSA-N 2 1 314.473 3.077 20 0 DGADMP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(C[NH+](C)C)c1 ZINC000820812809 628299581 /nfs/dbraw/zinc/29/95/81/628299581.db2.gz SUOBABVHEZGCRM-CYBMUJFWSA-N 2 1 318.490 3.122 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000820836074 628302993 /nfs/dbraw/zinc/30/29/93/628302993.db2.gz JRHXSFFNJHSJCE-SFSCSNRESA-N 2 1 316.489 3.082 20 0 DGADMP Fc1c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489610 628567773 /nfs/dbraw/zinc/56/77/73/628567773.db2.gz JMUSJLDQJKZLGQ-DOMZBBRYSA-N 2 1 323.843 3.323 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823654148 628583648 /nfs/dbraw/zinc/58/36/48/628583648.db2.gz PMVQMBRZQFZLSJ-CYBMUJFWSA-N 2 1 313.848 3.476 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCC[C@H]1C ZINC000823850387 628603079 /nfs/dbraw/zinc/60/30/79/628603079.db2.gz BEFIOTOTNICZSQ-JFRXWTBNSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958045 629008406 /nfs/dbraw/zinc/00/84/06/629008406.db2.gz QEOIWHBGIXTXCN-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958045 629008407 /nfs/dbraw/zinc/00/84/07/629008407.db2.gz QEOIWHBGIXTXCN-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958045 629008408 /nfs/dbraw/zinc/00/84/08/629008408.db2.gz QEOIWHBGIXTXCN-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827958045 629008410 /nfs/dbraw/zinc/00/84/10/629008410.db2.gz QEOIWHBGIXTXCN-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000830167367 629233463 /nfs/dbraw/zinc/23/34/63/629233463.db2.gz LNHKJZFOKALEMS-CALCHBBNSA-N 2 1 318.505 3.372 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000830227211 629240887 /nfs/dbraw/zinc/24/08/87/629240887.db2.gz CIIYRMIZQIFTGP-QGZVFWFLSA-N 2 1 304.478 3.124 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000834584980 629734826 /nfs/dbraw/zinc/73/48/26/629734826.db2.gz BIBBMIZABNHGEI-WMLDXEAASA-N 2 1 308.491 3.351 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000840808175 630360798 /nfs/dbraw/zinc/36/07/98/630360798.db2.gz IXYZNHDOXWWYJS-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841028064 630398508 /nfs/dbraw/zinc/39/85/08/630398508.db2.gz KREUOUPUUAHTDJ-OAGGEKHMSA-N 2 1 314.564 3.268 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000841028038 630398535 /nfs/dbraw/zinc/39/85/35/630398535.db2.gz JZMZSJWKKLDWFY-IEBWSBKVSA-N 3 1 307.526 3.138 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000841054569 630403061 /nfs/dbraw/zinc/40/30/61/630403061.db2.gz FMIFEDIXMAVEJW-UONOGXRCSA-N 2 1 318.852 3.194 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000841069927 630404407 /nfs/dbraw/zinc/40/44/07/630404407.db2.gz HVKLTSOUHFWKAX-INIZCTEOSA-N 2 1 302.393 3.232 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)oc21 ZINC000841087818 630406661 /nfs/dbraw/zinc/40/66/61/630406661.db2.gz QFXJFXYYOOAQRK-DOTOQJQBSA-N 2 1 314.429 3.405 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000842478463 630540429 /nfs/dbraw/zinc/54/04/29/630540429.db2.gz JCYAZEOGJYRVSI-KRWDZBQOSA-N 2 1 318.509 3.308 20 0 DGADMP CC(C)Cn1nccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000842674268 630561449 /nfs/dbraw/zinc/56/14/49/630561449.db2.gz MAAZVBLIERIMNK-UHFFFAOYSA-N 2 1 309.417 3.015 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](COC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000842831082 630581907 /nfs/dbraw/zinc/58/19/07/630581907.db2.gz QSRUOZXMZYVGKD-KRWDZBQOSA-N 2 1 318.461 3.025 20 0 DGADMP COc1cccc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)oc21 ZINC000843043700 630607739 /nfs/dbraw/zinc/60/77/39/630607739.db2.gz DDJFDFGCCFCFLG-UHFFFAOYSA-N 2 1 300.402 3.158 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)oc21 ZINC000843059288 630609810 /nfs/dbraw/zinc/60/98/10/630609810.db2.gz JJZXWGNHLLGTLV-IMJJTQAJSA-N 2 1 300.402 3.001 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)oc21 ZINC000843125331 630616637 /nfs/dbraw/zinc/61/66/37/630616637.db2.gz SMWPEPKJNLYTJD-JKSUJKDBSA-N 2 1 314.429 3.263 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1SC(F)(F)F ZINC000843351122 630648970 /nfs/dbraw/zinc/64/89/70/630648970.db2.gz HCFTVNSWJYJSPV-UHFFFAOYSA-N 2 1 308.369 3.088 20 0 DGADMP CCc1ccc2c(C[N@H+]3CCCC[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000843382858 630650890 /nfs/dbraw/zinc/65/08/90/630650890.db2.gz BKKXBKHGMLWGNX-INIZCTEOSA-N 2 1 314.429 3.059 20 0 DGADMP CC(C)Cn1nccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000843410007 630653047 /nfs/dbraw/zinc/65/30/47/630653047.db2.gz YWKLMGDZRZBAPY-UHFFFAOYSA-N 2 1 314.477 3.233 20 0 DGADMP CC(C)Cn1nccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000843410007 630653049 /nfs/dbraw/zinc/65/30/49/630653049.db2.gz YWKLMGDZRZBAPY-UHFFFAOYSA-N 2 1 314.477 3.233 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)CC1 ZINC000844221218 630712900 /nfs/dbraw/zinc/71/29/00/630712900.db2.gz AMYGRYZQDRALBG-LJQANCHMSA-N 3 1 309.542 3.340 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)oc21 ZINC000844901595 630970585 /nfs/dbraw/zinc/97/05/85/630970585.db2.gz HIGHNZALSOAOHB-KSSFIOAISA-N 2 1 300.402 3.002 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000844902796 630972911 /nfs/dbraw/zinc/97/29/11/630972911.db2.gz PUXIVKKPGPPHPC-NJZAAPMLSA-N 2 1 314.882 3.120 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000844902795 630973247 /nfs/dbraw/zinc/97/32/47/630973247.db2.gz PUXIVKKPGPPHPC-LNSITVRQSA-N 2 1 314.882 3.120 20 0 DGADMP CCC[N@@H+](CCCCCC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000846217140 631215418 /nfs/dbraw/zinc/21/54/18/631215418.db2.gz ATFHAEHISPSGCR-MRXNPFEDSA-N 2 1 306.450 3.058 20 0 DGADMP [NH3+]CCCCCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000846218762 631215427 /nfs/dbraw/zinc/21/54/27/631215427.db2.gz UPOAGKAYOQSONI-GOSISDBHSA-N 2 1 308.441 3.326 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000846221508 631215745 /nfs/dbraw/zinc/21/57/45/631215745.db2.gz MEMFJYYVMKNCNG-UHFFFAOYSA-N 2 1 323.912 3.367 20 0 DGADMP C[NH2+]CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000846223583 631215750 /nfs/dbraw/zinc/21/57/50/631215750.db2.gz XWEFKDLEBKMSNX-HXUWFJFHSA-N 2 1 312.457 3.140 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846814169 631315594 /nfs/dbraw/zinc/31/55/94/631315594.db2.gz OCIILAVUBYARBF-ZBFHGGJFSA-N 2 1 319.474 3.002 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846814169 631315598 /nfs/dbraw/zinc/31/55/98/631315598.db2.gz OCIILAVUBYARBF-ZBFHGGJFSA-N 2 1 319.474 3.002 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000848525280 631676590 /nfs/dbraw/zinc/67/65/90/631676590.db2.gz LKQSKWNNBCHALC-INIZCTEOSA-N 2 1 316.493 3.480 20 0 DGADMP Cn1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cnc1Cl ZINC000848890682 631774111 /nfs/dbraw/zinc/77/41/11/631774111.db2.gz UAQCPTRYTACAIH-UHFFFAOYSA-N 2 1 324.900 3.162 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])NC1CCC1 ZINC000848985415 631797296 /nfs/dbraw/zinc/79/72/96/631797296.db2.gz XCGRTSLIVPUVBD-HNNXBMFYSA-N 2 1 314.477 3.227 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000848989937 631798791 /nfs/dbraw/zinc/79/87/91/631798791.db2.gz MNNMLFATCMWAQV-KRWDZBQOSA-N 2 1 316.493 3.121 20 0 DGADMP CCCCNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989946 631798828 /nfs/dbraw/zinc/79/88/28/631798828.db2.gz MVPSAOQQJMNCOP-WMZOPIPTSA-N 2 1 316.493 3.201 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1 ZINC000849016713 631807948 /nfs/dbraw/zinc/80/79/48/631807948.db2.gz DSWDIBUFKFEFBF-CQSZACIVSA-N 2 1 300.450 3.398 20 0 DGADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849047054 631817882 /nfs/dbraw/zinc/81/78/82/631817882.db2.gz ODCFPXLTLLTQLE-UHFFFAOYSA-N 2 1 302.466 3.089 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000849059576 631822452 /nfs/dbraw/zinc/82/24/52/631822452.db2.gz UWYVWTNNSMYHTD-HUUCEWRRSA-N 2 1 302.466 3.306 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000849071319 631826186 /nfs/dbraw/zinc/82/61/86/631826186.db2.gz GLDJXTFOASPBAW-IBGZPJMESA-N 2 1 324.472 3.220 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000849096689 631834131 /nfs/dbraw/zinc/83/41/31/631834131.db2.gz JJSXTHSBQYDJOL-LSDHHAIUSA-N 2 1 302.466 3.478 20 0 DGADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000849105907 631836977 /nfs/dbraw/zinc/83/69/77/631836977.db2.gz IIYRVDAKUWLRGN-NVXWUHKLSA-N 2 1 306.498 3.040 20 0 DGADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000849105068 631837120 /nfs/dbraw/zinc/83/71/20/631837120.db2.gz ATKDAGKEWNUHDJ-UHFFFAOYSA-N 2 1 314.477 3.234 20 0 DGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000849111289 631838163 /nfs/dbraw/zinc/83/81/63/631838163.db2.gz XPWNRXJXBXPATM-MRXNPFEDSA-N 2 1 302.466 3.360 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc2ccccc21 ZINC000850360125 632124496 /nfs/dbraw/zinc/12/44/96/632124496.db2.gz CENRIQTYFJLCBL-ABSDTBQOSA-N 2 1 310.441 3.090 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2COC3(CCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000850467657 632161769 /nfs/dbraw/zinc/16/17/69/632161769.db2.gz ZGUMBUCBGYLQEE-RBUKOAKNSA-N 2 1 314.473 3.200 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000850556748 632193166 /nfs/dbraw/zinc/19/31/66/632193166.db2.gz LQIFBDSCOCKHQW-HCKVZZMMSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC(F)F)CCN1Cc1ccccc1 ZINC000851804063 632498778 /nfs/dbraw/zinc/49/87/78/632498778.db2.gz XQXIJZLIJLBMFE-ZBFHGGJFSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000851804063 632498784 /nfs/dbraw/zinc/49/87/84/632498784.db2.gz XQXIJZLIJLBMFE-ZBFHGGJFSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000851804063 632498790 /nfs/dbraw/zinc/49/87/90/632498790.db2.gz XQXIJZLIJLBMFE-ZBFHGGJFSA-N 2 1 312.404 3.211 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852115301 632558101 /nfs/dbraw/zinc/55/81/01/632558101.db2.gz NXRGQFOLRXXTLJ-OAQYLSRUSA-N 2 1 324.468 3.283 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250719 660727690 /nfs/dbraw/zinc/72/76/90/660727690.db2.gz RYRSGTXVBDSQEJ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250719 660727693 /nfs/dbraw/zinc/72/76/93/660727693.db2.gz RYRSGTXVBDSQEJ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250719 660727696 /nfs/dbraw/zinc/72/76/96/660727696.db2.gz RYRSGTXVBDSQEJ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702902579 660747123 /nfs/dbraw/zinc/74/71/23/660747123.db2.gz BASBRJUWXOPCNQ-AEFFLSMTSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702902592 660747241 /nfs/dbraw/zinc/74/72/41/660747241.db2.gz BASBRJUWXOPCNQ-SJLPKXTDSA-N 2 1 302.462 3.104 20 0 DGADMP CSC1CC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000706806392 660873431 /nfs/dbraw/zinc/87/34/31/660873431.db2.gz WKLNEWMNWXOAEG-VFPGXZCRSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCSCC2)cn1 ZINC000187035078 660940525 /nfs/dbraw/zinc/94/05/25/660940525.db2.gz XJADKRGBNOFNMG-CYBMUJFWSA-N 2 1 316.474 3.197 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000792969093 660997584 /nfs/dbraw/zinc/99/75/84/660997584.db2.gz JVPIYNFRIHCFLF-DFEHZGFQSA-N 2 1 322.880 3.285 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000792969093 660997586 /nfs/dbraw/zinc/99/75/86/660997586.db2.gz JVPIYNFRIHCFLF-DFEHZGFQSA-N 2 1 322.880 3.285 20 0 DGADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000793203181 661012696 /nfs/dbraw/zinc/01/26/96/661012696.db2.gz TWMIEOQXZGWUQZ-QGZVFWFLSA-N 2 1 315.848 3.347 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536648 661042892 /nfs/dbraw/zinc/04/28/92/661042892.db2.gz UAOZKDZMKJLQQF-SJORKVTESA-N 2 1 314.477 3.290 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536648 661042893 /nfs/dbraw/zinc/04/28/93/661042893.db2.gz UAOZKDZMKJLQQF-SJORKVTESA-N 2 1 314.477 3.290 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401430 655706008 /nfs/dbraw/zinc/70/60/08/655706008.db2.gz WXLIATGZTWINPM-CEXWTWQISA-N 2 1 314.473 3.056 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000723701460 655717498 /nfs/dbraw/zinc/71/74/98/655717498.db2.gz FPEPRHFIRZULQT-LBPRGKRZSA-N 2 1 304.381 3.469 20 0 DGADMP Cc1cccc(C)c1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000933764119 655731881 /nfs/dbraw/zinc/73/18/81/655731881.db2.gz NNRQMCAWHKYFDB-UHFFFAOYSA-N 2 1 317.521 3.151 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1F)C1CCC([NH3+])CC1 ZINC000091844683 655845583 /nfs/dbraw/zinc/84/55/83/655845583.db2.gz JBMRPVBYHFDVFI-UHFFFAOYSA-N 2 1 315.230 3.290 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309719955 655877247 /nfs/dbraw/zinc/87/72/47/655877247.db2.gz LYHCVBUDVHYYAR-XUVXKRRUSA-N 2 1 316.489 3.446 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC ZINC001024752043 655935612 /nfs/dbraw/zinc/93/56/12/655935612.db2.gz ODQXUCWQUAJMQF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC ZINC001024752043 655935613 /nfs/dbraw/zinc/93/56/13/655935613.db2.gz ODQXUCWQUAJMQF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC ZINC001024752043 655935614 /nfs/dbraw/zinc/93/56/14/655935614.db2.gz ODQXUCWQUAJMQF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC ZINC001024752040 655935735 /nfs/dbraw/zinc/93/57/35/655935735.db2.gz ODQXUCWQUAJMQF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC ZINC001024752040 655935737 /nfs/dbraw/zinc/93/57/37/655935737.db2.gz ODQXUCWQUAJMQF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC ZINC001024752040 655935738 /nfs/dbraw/zinc/93/57/38/655935738.db2.gz ODQXUCWQUAJMQF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cn1ncc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1C1CC1 ZINC000892749348 656035186 /nfs/dbraw/zinc/03/51/86/656035186.db2.gz BWRBLTBSFOPDGF-UHFFFAOYSA-N 2 1 316.493 3.042 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NC2CCCCCC2)c1 ZINC000092277778 656095308 /nfs/dbraw/zinc/09/53/08/656095308.db2.gz CNPVIDXYJIDPHK-UHFFFAOYSA-N 2 1 316.493 3.265 20 0 DGADMP Clc1ccc2c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000317777074 656675528 /nfs/dbraw/zinc/67/55/28/656675528.db2.gz RLWDRTLQRCGGLJ-KBPBESRZSA-N 2 1 317.820 3.163 20 0 DGADMP Clc1ccc2c(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000317777074 656675531 /nfs/dbraw/zinc/67/55/31/656675531.db2.gz RLWDRTLQRCGGLJ-KBPBESRZSA-N 2 1 317.820 3.163 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764390 656764179 /nfs/dbraw/zinc/76/41/79/656764179.db2.gz NWRULBOOUNZMAE-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532359 656900362 /nfs/dbraw/zinc/90/03/62/656900362.db2.gz AHITXNBOEBIUNQ-UFYCRDLUSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261532359 656900363 /nfs/dbraw/zinc/90/03/63/656900363.db2.gz AHITXNBOEBIUNQ-UFYCRDLUSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532359 656900366 /nfs/dbraw/zinc/90/03/66/656900366.db2.gz AHITXNBOEBIUNQ-UFYCRDLUSA-N 3 1 315.505 3.006 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028253893 656946144 /nfs/dbraw/zinc/94/61/44/656946144.db2.gz IVKASYMEHSVZRF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028253893 656946147 /nfs/dbraw/zinc/94/61/47/656946147.db2.gz IVKASYMEHSVZRF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028253893 656946150 /nfs/dbraw/zinc/94/61/50/656946150.db2.gz IVKASYMEHSVZRF-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261745889 657074944 /nfs/dbraw/zinc/07/49/44/657074944.db2.gz BVEWEEVEDZTCJL-CQSZACIVSA-N 2 1 316.395 3.377 20 0 DGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C(F)(F)F)c1 ZINC000261961578 657264359 /nfs/dbraw/zinc/26/43/59/657264359.db2.gz HGYQXHJDSVRYFG-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262076784 657317635 /nfs/dbraw/zinc/31/76/35/657317635.db2.gz SQVHMXRGMOFONP-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2s1 ZINC000305297347 657704414 /nfs/dbraw/zinc/70/44/14/657704414.db2.gz GVBRGYFKWIRUFE-HRCADAONSA-N 2 1 316.470 3.151 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2s1 ZINC000305297347 657704422 /nfs/dbraw/zinc/70/44/22/657704422.db2.gz GVBRGYFKWIRUFE-HRCADAONSA-N 2 1 316.470 3.151 20 0 DGADMP CCC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963433358 658215860 /nfs/dbraw/zinc/21/58/60/658215860.db2.gz NIOTUBUVGCEUSE-DAWZGUTISA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826147 658224565 /nfs/dbraw/zinc/22/45/65/658224565.db2.gz RDZWCZSSFCESTJ-SOLBZPMBSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826147 658224571 /nfs/dbraw/zinc/22/45/71/658224571.db2.gz RDZWCZSSFCESTJ-SOLBZPMBSA-N 2 1 301.478 3.039 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[NH+](C)C ZINC000421819786 658225280 /nfs/dbraw/zinc/22/52/80/658225280.db2.gz IZYXPBLQYMJBCA-MJGOQNOKSA-N 2 1 303.494 3.285 20 0 DGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000721201777 658676435 /nfs/dbraw/zinc/67/64/35/658676435.db2.gz LKRFSDZXCZVLFA-HSALFYBXSA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@@H]21 ZINC000230047549 659297497 /nfs/dbraw/zinc/29/74/97/659297497.db2.gz ASHHIGFUGGQNOX-AEGPPILISA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@@H]21 ZINC000230047549 659297500 /nfs/dbraw/zinc/29/75/00/659297500.db2.gz ASHHIGFUGGQNOX-AEGPPILISA-N 2 1 309.251 3.008 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642945 661323918 /nfs/dbraw/zinc/32/39/18/661323918.db2.gz CKZHRBXFVAEZOW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccns2)C1 ZINC000929642945 661323919 /nfs/dbraw/zinc/32/39/19/661323919.db2.gz CKZHRBXFVAEZOW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000929642945 661323920 /nfs/dbraw/zinc/32/39/20/661323920.db2.gz CKZHRBXFVAEZOW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000929642945 661323921 /nfs/dbraw/zinc/32/39/21/661323921.db2.gz CKZHRBXFVAEZOW-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929688395 661328912 /nfs/dbraw/zinc/32/89/12/661328912.db2.gz REJJHAKZAJNQLC-MSOLQXFVSA-N 2 1 306.494 3.429 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929688397 661328984 /nfs/dbraw/zinc/32/89/84/661328984.db2.gz REJJHAKZAJNQLC-ROUUACIJSA-N 2 1 306.494 3.429 20 0 DGADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000929808506 661340782 /nfs/dbraw/zinc/34/07/82/661340782.db2.gz HZPUJCYHKPGAND-MOPGFXCFSA-N 2 1 321.553 3.161 20 0 DGADMP CC[C@@H]1C[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000929808506 661340783 /nfs/dbraw/zinc/34/07/83/661340783.db2.gz HZPUJCYHKPGAND-MOPGFXCFSA-N 3 1 321.553 3.161 20 0 DGADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000929808506 661340786 /nfs/dbraw/zinc/34/07/86/661340786.db2.gz HZPUJCYHKPGAND-MOPGFXCFSA-N 3 1 321.553 3.161 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C1CC(OCc3ccccc3)C1)C2 ZINC000930602482 661414450 /nfs/dbraw/zinc/41/44/50/661414450.db2.gz UKGARYLPCKUHNU-SOAGJPPSSA-N 2 1 314.473 3.152 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CC(C)C3)C2)ccn1 ZINC000931093249 661451912 /nfs/dbraw/zinc/45/19/12/661451912.db2.gz JHZRRDWOVKWGID-RJYAGPCLSA-N 2 1 317.477 3.033 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CC(C)C3)C2)ccn1 ZINC000931093249 661451913 /nfs/dbraw/zinc/45/19/13/661451913.db2.gz JHZRRDWOVKWGID-RJYAGPCLSA-N 2 1 317.477 3.033 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CC(C)C3)C2)ccn1 ZINC000931093249 661451914 /nfs/dbraw/zinc/45/19/14/661451914.db2.gz JHZRRDWOVKWGID-RJYAGPCLSA-N 2 1 317.477 3.033 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1snnc1C ZINC000931271865 661463778 /nfs/dbraw/zinc/46/37/78/661463778.db2.gz NXVVWOHVKBLFBO-AWEZNQCLSA-N 2 1 318.490 3.491 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1snnc1C ZINC000931271865 661463780 /nfs/dbraw/zinc/46/37/80/661463780.db2.gz NXVVWOHVKBLFBO-AWEZNQCLSA-N 2 1 318.490 3.491 20 0 DGADMP CC(C)c1cccc(CN2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931285429 661464091 /nfs/dbraw/zinc/46/40/91/661464091.db2.gz NBFFEQOGKSXKKE-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288700 661464575 /nfs/dbraw/zinc/46/45/75/661464575.db2.gz SJFORHADOBLWAF-FQEVSTJZSA-N 2 1 314.473 3.251 20 0 DGADMP c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288700 661464577 /nfs/dbraw/zinc/46/45/77/661464577.db2.gz SJFORHADOBLWAF-FQEVSTJZSA-N 2 1 314.473 3.251 20 0 DGADMP Cc1ccccc1OCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931305105 661465258 /nfs/dbraw/zinc/46/52/58/661465258.db2.gz AHMUHFLYVONDAE-RTBURBONSA-N 2 1 302.462 3.038 20 0 DGADMP CO[C@H](C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000931315276 661466687 /nfs/dbraw/zinc/46/66/87/661466687.db2.gz VWNBAYQAPPXAEB-KZNAEPCWSA-N 2 1 322.880 3.301 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931432153 661475908 /nfs/dbraw/zinc/47/59/08/661475908.db2.gz XCIWMUIHJLAUEA-KGLIPLIRSA-N 2 1 310.894 3.316 20 0 DGADMP Cc1oc(-c2ccsc2)nc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931433994 661476209 /nfs/dbraw/zinc/47/62/09/661476209.db2.gz LUVFUJKVHCWZEJ-HIFRSBDPSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931433994 661476212 /nfs/dbraw/zinc/47/62/12/661476212.db2.gz LUVFUJKVHCWZEJ-HIFRSBDPSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931433994 661476213 /nfs/dbraw/zinc/47/62/13/661476213.db2.gz LUVFUJKVHCWZEJ-HIFRSBDPSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433994 661476216 /nfs/dbraw/zinc/47/62/16/661476216.db2.gz LUVFUJKVHCWZEJ-HIFRSBDPSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433994 661476218 /nfs/dbraw/zinc/47/62/18/661476218.db2.gz LUVFUJKVHCWZEJ-HIFRSBDPSA-N 2 1 317.458 3.095 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000931435406 661476222 /nfs/dbraw/zinc/47/62/22/661476222.db2.gz AOFSESUYHVONDN-CVEARBPZSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000931435406 661476225 /nfs/dbraw/zinc/47/62/25/661476225.db2.gz AOFSESUYHVONDN-CVEARBPZSA-N 2 1 317.864 3.178 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000931435406 661476228 /nfs/dbraw/zinc/47/62/28/661476228.db2.gz AOFSESUYHVONDN-CVEARBPZSA-N 2 1 317.864 3.178 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCCC4)O3)C[C@@H]2C1 ZINC000931442905 661476852 /nfs/dbraw/zinc/47/68/52/661476852.db2.gz POBZLQJOYNGRNC-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)C[C@@H]2C1 ZINC000931442905 661476854 /nfs/dbraw/zinc/47/68/54/661476854.db2.gz POBZLQJOYNGRNC-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)C[C@@H]2C1 ZINC000931442905 661476857 /nfs/dbraw/zinc/47/68/57/661476857.db2.gz POBZLQJOYNGRNC-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547847 661487295 /nfs/dbraw/zinc/48/72/95/661487295.db2.gz UIMMHIOFDKPPST-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547847 661487298 /nfs/dbraw/zinc/48/72/98/661487298.db2.gz UIMMHIOFDKPPST-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547847 661487299 /nfs/dbraw/zinc/48/72/99/661487299.db2.gz UIMMHIOFDKPPST-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)CC[C@H]21 ZINC000931547847 661487301 /nfs/dbraw/zinc/48/73/01/661487301.db2.gz UIMMHIOFDKPPST-FGTMMUONSA-N 2 1 306.494 3.284 20 0 DGADMP Cc1nnsc1[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748038 661504840 /nfs/dbraw/zinc/50/48/40/661504840.db2.gz HMJPPUJORKMWCK-GFCCVEGCSA-N 2 1 305.451 3.127 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931807792 661511522 /nfs/dbraw/zinc/51/15/22/661511522.db2.gz APIKBUVUGWXAHQ-HKUYNNGSSA-N 2 1 312.457 3.118 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931807792 661511523 /nfs/dbraw/zinc/51/15/23/661511523.db2.gz APIKBUVUGWXAHQ-HKUYNNGSSA-N 2 1 312.457 3.118 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931918569 661522206 /nfs/dbraw/zinc/52/22/06/661522206.db2.gz VOQXVTPNKHZZRC-QWHCGFSZSA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931918569 661522207 /nfs/dbraw/zinc/52/22/07/661522207.db2.gz VOQXVTPNKHZZRC-QWHCGFSZSA-N 2 1 308.363 3.227 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931918569 661522209 /nfs/dbraw/zinc/52/22/09/661522209.db2.gz VOQXVTPNKHZZRC-QWHCGFSZSA-N 2 1 308.363 3.227 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932200484 661548612 /nfs/dbraw/zinc/54/86/12/661548612.db2.gz QVVNTROLLFCBEV-MRXNPFEDSA-N 2 1 318.490 3.383 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932200484 661548613 /nfs/dbraw/zinc/54/86/13/661548613.db2.gz QVVNTROLLFCBEV-MRXNPFEDSA-N 2 1 318.490 3.383 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846590 662321828 /nfs/dbraw/zinc/32/18/28/662321828.db2.gz MIDKNKUDTAFFIH-UHFFFAOYSA-N 2 1 305.447 3.413 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380958157 685153684 /nfs/dbraw/zinc/15/36/84/685153684.db2.gz VNUZZMISUACSQI-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncsc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380958157 685153687 /nfs/dbraw/zinc/15/36/87/685153687.db2.gz VNUZZMISUACSQI-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381912107 685160768 /nfs/dbraw/zinc/16/07/68/685160768.db2.gz AVTPIBHYQYDXIV-KRWDZBQOSA-N 2 1 316.493 3.201 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381888725 685160999 /nfs/dbraw/zinc/16/09/99/685160999.db2.gz QXWYQPFWORWKPQ-YTQUADARSA-N 2 1 300.446 3.179 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000398032480 685233930 /nfs/dbraw/zinc/23/39/30/685233930.db2.gz NXUXGYINDJHKHH-YYWHXJBOSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000398032479 685234107 /nfs/dbraw/zinc/23/41/07/685234107.db2.gz NXUXGYINDJHKHH-WMQCIHAUSA-N 2 1 324.468 3.220 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C[NH2+]CCO1 ZINC001576519544 1191834707 /nfs/dbraw/zinc/83/47/07/1191834707.db2.gz QYFOSGOMEYFGHK-CEXWTWQISA-N 2 1 302.462 3.071 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC001576591778 1191848549 /nfs/dbraw/zinc/84/85/49/1191848549.db2.gz JZZHGEBHUSXNLU-LMMKCTJWSA-N 2 1 303.494 3.034 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc(Cl)c(F)c2)C[C@@H]1C[NH3+] ZINC001576599679 1191850409 /nfs/dbraw/zinc/85/04/09/1191850409.db2.gz TYRFRFPURPWSLN-UPJWGTAASA-N 2 1 314.832 3.163 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc(Cl)c(F)c2)C[C@H]1C[NH3+] ZINC001576599575 1191852531 /nfs/dbraw/zinc/85/25/31/1191852531.db2.gz TYRFRFPURPWSLN-JHJVBQTASA-N 2 1 314.832 3.163 20 0 DGADMP C[C@@H]1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001576671306 1191861535 /nfs/dbraw/zinc/86/15/35/1191861535.db2.gz XMRZIUPVQLDQRU-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC001576671306 1191861543 /nfs/dbraw/zinc/86/15/43/1191861543.db2.gz XMRZIUPVQLDQRU-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)[C@@H]1CC[NH3+] ZINC001576709145 1191865203 /nfs/dbraw/zinc/86/52/03/1191865203.db2.gz OHGWHYJMEFGGAM-CZUORRHYSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)[C@@H]1CC[NH3+] ZINC001576709145 1191865213 /nfs/dbraw/zinc/86/52/13/1191865213.db2.gz OHGWHYJMEFGGAM-CZUORRHYSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001576749510 1191867413 /nfs/dbraw/zinc/86/74/13/1191867413.db2.gz QPXHMIYETQUCFM-XUJVJEKNSA-N 2 1 316.367 3.104 20 0 DGADMP CCC(CC)(C[NH3+])CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001577050770 1191881616 /nfs/dbraw/zinc/88/16/16/1191881616.db2.gz CUOYWJGDUWAENX-UHFFFAOYSA-N 2 1 309.542 3.340 20 0 DGADMP CC[C@H]1CCCC[C@H]1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001577249507 1191889714 /nfs/dbraw/zinc/88/97/14/1191889714.db2.gz IOPFEOZDXADJON-QGZVKYPTSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@H]1CCCC[C@H]1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249507 1191889716 /nfs/dbraw/zinc/88/97/16/1191889716.db2.gz IOPFEOZDXADJON-QGZVKYPTSA-N 2 1 319.537 3.103 20 0 DGADMP CC[C@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001577249507 1191889718 /nfs/dbraw/zinc/88/97/18/1191889718.db2.gz IOPFEOZDXADJON-QGZVKYPTSA-N 2 1 319.537 3.103 20 0 DGADMP CCC1([NH3+])CCN([C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001577230633 1191889834 /nfs/dbraw/zinc/88/98/34/1191889834.db2.gz SPAJMBWCUGSGCL-SFHVURJKSA-N 2 1 315.505 3.243 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001577279350 1191891769 /nfs/dbraw/zinc/89/17/69/1191891769.db2.gz DSYGRYXDMGMEQT-DQXYTYHJSA-N 2 1 313.489 3.248 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C ZINC001577583692 1191908109 /nfs/dbraw/zinc/90/81/09/1191908109.db2.gz ZCOYKXILWAZVLX-BZSNNMDCSA-N 2 1 302.462 3.343 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)c(C)c1 ZINC001577586558 1191908712 /nfs/dbraw/zinc/90/87/12/1191908712.db2.gz WVMBNHLRMOQFRJ-CYBMUJFWSA-N 2 1 304.356 3.153 20 0 DGADMP CC[C@@H]([NH2+]Cc1nc2c(s1)C[NH2+]CC2)c1ccc(F)cc1 ZINC001578225900 1191932807 /nfs/dbraw/zinc/93/28/07/1191932807.db2.gz PCLLEVICQYTNBR-CYBMUJFWSA-N 2 1 305.422 3.169 20 0 DGADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001578458082 1191944806 /nfs/dbraw/zinc/94/48/06/1191944806.db2.gz IROGBBAIZJUMPO-RBUKOAKNSA-N 2 1 302.462 3.228 20 0 DGADMP C[NH2+]CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001578691485 1191952248 /nfs/dbraw/zinc/95/22/48/1191952248.db2.gz POFVVGDCUAHZOL-KRWDZBQOSA-N 2 1 303.837 3.218 20 0 DGADMP COc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)C)c(OC)c1 ZINC001579213125 1191969239 /nfs/dbraw/zinc/96/92/39/1191969239.db2.gz UPPANVDNIWYBQR-OAHLLOKOSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC001579238730 1191970024 /nfs/dbraw/zinc/97/00/24/1191970024.db2.gz WFXKYBZGGOLORZ-COXVUDFISA-N 2 1 324.415 3.166 20 0 DGADMP Cc1cc([C@@H]2CC[N@H+](C[C@H](C[NH3+])C(C)C)C2)c(O)cc1Cl ZINC001579590977 1191981113 /nfs/dbraw/zinc/98/11/13/1191981113.db2.gz YMSHNECWCWSXCR-KGLIPLIRSA-N 2 1 310.869 3.374 20 0 DGADMP Cc1nc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]c1C ZINC001579849701 1191996692 /nfs/dbraw/zinc/99/66/92/1191996692.db2.gz GWCVWEAOQCXDRH-NPYXIHBLSA-N 2 1 302.466 3.084 20 0 DGADMP Cc1nc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]c1C ZINC001579849700 1191996904 /nfs/dbraw/zinc/99/69/04/1191996904.db2.gz GWCVWEAOQCXDRH-HMQMGEFJSA-N 2 1 302.466 3.084 20 0 DGADMP Fc1cccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC001580034359 1192003938 /nfs/dbraw/zinc/00/39/38/1192003938.db2.gz JUOMSUZUQSWMNO-LPOOJTIXSA-N 2 1 302.437 3.297 20 0 DGADMP Fc1cccc2cc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cnc12 ZINC001580033913 1192004198 /nfs/dbraw/zinc/00/41/98/1192004198.db2.gz CXOABRGJTGYNIY-IBGZPJMESA-N 2 1 313.420 3.340 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H]1C[C@H](Sc2ccccc2)C1)CC(F)(F)F ZINC001580133025 1192009595 /nfs/dbraw/zinc/00/95/95/1192009595.db2.gz SZAIORNBENBKIK-NQBHXWOUSA-N 2 1 304.381 3.179 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)C12CCC2 ZINC001580165242 1192011263 /nfs/dbraw/zinc/01/12/63/1192011263.db2.gz UIAKZTKAYWEEKZ-GUDVDZBRSA-N 2 1 307.441 3.225 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@H]1C(F)(F)F ZINC001580274217 1192018376 /nfs/dbraw/zinc/01/83/76/1192018376.db2.gz GKUQATYBYZOJMI-ZIAGYGMSSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@H]1C(F)(F)F ZINC001580274217 1192018378 /nfs/dbraw/zinc/01/83/78/1192018378.db2.gz GKUQATYBYZOJMI-ZIAGYGMSSA-N 2 1 312.335 3.392 20 0 DGADMP O[C@@H](C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1ccccc1 ZINC001580877928 1192043443 /nfs/dbraw/zinc/04/34/43/1192043443.db2.gz HEXJDFMLHWIJOD-NQIIRXRSSA-N 2 1 324.468 3.222 20 0 DGADMP O[C@H](C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1ccccc1 ZINC001580877930 1192043645 /nfs/dbraw/zinc/04/36/45/1192043645.db2.gz HEXJDFMLHWIJOD-WIYYLYMNSA-N 2 1 324.468 3.222 20 0 DGADMP c1oc(-c2ccccc2)nc1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC001580892309 1192044636 /nfs/dbraw/zinc/04/46/36/1192044636.db2.gz QZAKDWCDAGFGLF-UHFFFAOYSA-N 2 1 319.408 3.277 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC001620720612 1192074928 /nfs/dbraw/zinc/07/49/28/1192074928.db2.gz PQVQNLDHFGUVEM-JTDSTZFVSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)CC2 ZINC001620720612 1192074931 /nfs/dbraw/zinc/07/49/31/1192074931.db2.gz PQVQNLDHFGUVEM-JTDSTZFVSA-N 2 1 316.489 3.263 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3C[C@@H](C)C[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000128670787 1176270586 /nfs/dbraw/zinc/27/05/86/1176270586.db2.gz ZQNRPIIUGCYULW-KBPBESRZSA-N 2 1 316.493 3.477 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H](C)CC[NH3+])cc1Cl ZINC000393803840 1176704416 /nfs/dbraw/zinc/70/44/16/1176704416.db2.gz WSDUDRIRVSBHAS-SECBINFHSA-N 2 1 305.647 3.238 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)oc21 ZINC000378905341 1176751530 /nfs/dbraw/zinc/75/15/30/1176751530.db2.gz YSKAIUZCLYEXSO-LSDHHAIUSA-N 2 1 300.402 3.158 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)oc21 ZINC000378905341 1176751542 /nfs/dbraw/zinc/75/15/42/1176751542.db2.gz YSKAIUZCLYEXSO-LSDHHAIUSA-N 2 1 300.402 3.158 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309738076 1176751820 /nfs/dbraw/zinc/75/18/20/1176751820.db2.gz RCRWICLFBVFTIG-KRWDZBQOSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309738076 1176751826 /nfs/dbraw/zinc/75/18/26/1176751826.db2.gz RCRWICLFBVFTIG-KRWDZBQOSA-N 2 1 315.486 3.453 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cscc3Br)C[C@@H]21 ZINC000383391288 1177037398 /nfs/dbraw/zinc/03/73/98/1177037398.db2.gz KJUPANFDENLWFJ-SUZMYJTESA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cscc3Br)C[C@@H]21 ZINC000383391288 1177037404 /nfs/dbraw/zinc/03/74/04/1177037404.db2.gz KJUPANFDENLWFJ-SUZMYJTESA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cscc3Br)C[C@@H]21 ZINC000383391290 1177037677 /nfs/dbraw/zinc/03/76/77/1177037677.db2.gz KJUPANFDENLWFJ-XHVZSJERSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cscc3Br)C[C@@H]21 ZINC000383391290 1177037686 /nfs/dbraw/zinc/03/76/86/1177037686.db2.gz KJUPANFDENLWFJ-XHVZSJERSA-N 2 1 315.280 3.070 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000385915707 1177242718 /nfs/dbraw/zinc/24/27/18/1177242718.db2.gz AQKBZKVHBHRZHF-RWMBFGLXSA-N 2 1 313.239 3.052 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001752832846 1177262750 /nfs/dbraw/zinc/26/27/50/1177262750.db2.gz NQEFJCZOLFTEQK-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000129888522 1177300627 /nfs/dbraw/zinc/30/06/27/1177300627.db2.gz ZKOHSNUCDAYKIL-HZPDHXFCSA-N 2 1 302.462 3.197 20 0 DGADMP CCC[C@@H](C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000386493958 1177407003 /nfs/dbraw/zinc/40/70/03/1177407003.db2.gz UUHODVDYEGXAGN-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338347106 1177750733 /nfs/dbraw/zinc/75/07/33/1177750733.db2.gz VJFQGSSPTFWVQL-IRXDYDNUSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338347106 1177750741 /nfs/dbraw/zinc/75/07/41/1177750741.db2.gz VJFQGSSPTFWVQL-IRXDYDNUSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000338347106 1177750747 /nfs/dbraw/zinc/75/07/47/1177750747.db2.gz VJFQGSSPTFWVQL-IRXDYDNUSA-N 2 1 306.425 3.153 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001691708747 1177849212 /nfs/dbraw/zinc/84/92/12/1177849212.db2.gz VTSFKHRQIHIIKU-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477485 1177930298 /nfs/dbraw/zinc/93/02/98/1177930298.db2.gz PUHKADHOBCOIGX-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477485 1177930309 /nfs/dbraw/zinc/93/03/09/1177930309.db2.gz PUHKADHOBCOIGX-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477485 1177930315 /nfs/dbraw/zinc/93/03/15/1177930315.db2.gz PUHKADHOBCOIGX-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001275477485 1177930320 /nfs/dbraw/zinc/93/03/20/1177930320.db2.gz PUHKADHOBCOIGX-LJQANCHMSA-N 2 1 316.565 3.150 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC000258723792 1178035158 /nfs/dbraw/zinc/03/51/58/1178035158.db2.gz GNHVGFABUGGBOE-CQSZACIVSA-N 2 1 311.267 3.412 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc21 ZINC001222277138 1178074593 /nfs/dbraw/zinc/07/45/93/1178074593.db2.gz KRULWQUOUAIMBO-FQEVSTJZSA-N 2 1 313.489 3.035 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC001331025338 1178115110 /nfs/dbraw/zinc/11/51/10/1178115110.db2.gz DREXWAONEJUUQE-WBVHZDCISA-N 2 1 304.478 3.479 20 0 DGADMP Cc1ccnc(N)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001331994720 1178332297 /nfs/dbraw/zinc/33/22/97/1178332297.db2.gz PNSICKMNTCSFMA-MRXNPFEDSA-N 2 1 324.472 3.287 20 0 DGADMP C[C@@H]1CCc2nc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)sc2C1 ZINC001332235978 1178401099 /nfs/dbraw/zinc/40/10/99/1178401099.db2.gz ASKYISONBXITFF-OLZOCXBDSA-N 2 1 307.507 3.136 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC001332834866 1178503663 /nfs/dbraw/zinc/50/36/63/1178503663.db2.gz WMUJYLSOAXWALP-FUHWJXTLSA-N 3 1 303.494 3.131 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@H]2C1 ZINC001333890825 1178691265 /nfs/dbraw/zinc/69/12/65/1178691265.db2.gz GJXHSEXOAMCPNM-YQVWRLOYSA-N 2 1 324.472 3.034 20 0 DGADMP C[C@H](C[NH+]1CCCSC[C@H]1C)C[N@H+]1CCCSC[C@@H]1C ZINC001334680546 1178780182 /nfs/dbraw/zinc/78/01/82/1178780182.db2.gz XWONZUOCWICERY-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@@H](C[NH+]1CCCSC[C@@H]1C)C[N@@H+]1CCCSC[C@H]1C ZINC001334680546 1178780186 /nfs/dbraw/zinc/78/01/86/1178780186.db2.gz XWONZUOCWICERY-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP C[C@@H](C[NH+]1CCCSC[C@@H]1C)C[N@H+]1CCCSC[C@H]1C ZINC001334680546 1178780190 /nfs/dbraw/zinc/78/01/90/1178780190.db2.gz XWONZUOCWICERY-PHZGNYQRSA-N 2 1 316.580 3.277 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)C[C@H]2C1 ZINC001335150592 1178861479 /nfs/dbraw/zinc/86/14/79/1178861479.db2.gz RNUKYRLUYUQPPK-IPMKNSEASA-N 2 1 314.473 3.174 20 0 DGADMP c1ccc2[nH]c([C@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC001335271060 1178882621 /nfs/dbraw/zinc/88/26/21/1178882621.db2.gz QPGLXFUMEXCUHK-CVEARBPZSA-N 2 1 312.461 3.132 20 0 DGADMP COC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001335382609 1178902578 /nfs/dbraw/zinc/90/25/78/1178902578.db2.gz PHESHUYRWSIFDY-TXPKVOOTSA-N 2 1 302.462 3.010 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2C1 ZINC001335581805 1178932890 /nfs/dbraw/zinc/93/28/90/1178932890.db2.gz FVWNYDHQAMQRJZ-BHIYHBOVSA-N 2 1 309.457 3.397 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC001335896712 1178968639 /nfs/dbraw/zinc/96/86/39/1178968639.db2.gz HWBZPRORTIQHEN-FQEVSTJZSA-N 2 1 321.424 3.312 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001335935452 1178973651 /nfs/dbraw/zinc/97/36/51/1178973651.db2.gz YCHHVWJSPGKBCI-KKXNLOMOSA-N 2 1 316.489 3.007 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001342160632 1179111595 /nfs/dbraw/zinc/11/15/95/1179111595.db2.gz MCQOFJVPBONHPN-CGTJXYLNSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3scnc3C3CC3)C[C@@H]2C1 ZINC001343332395 1179257578 /nfs/dbraw/zinc/25/75/78/1179257578.db2.gz CMTRDCPQKQONRH-QLFBSQMISA-N 2 1 305.491 3.183 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](C(C)(C)C)CC1 ZINC001344429404 1179432149 /nfs/dbraw/zinc/43/21/49/1179432149.db2.gz ZFRHQRHSQALYGG-UHFFFAOYSA-N 2 1 317.408 3.303 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001345079302 1179522654 /nfs/dbraw/zinc/52/26/54/1179522654.db2.gz VTXBDVHABBYVBZ-NZSAHSFTSA-N 2 1 313.489 3.044 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC001644635589 1195122327 /nfs/dbraw/zinc/12/23/27/1195122327.db2.gz HHZJLBMWQTXJPJ-QRVBRYPASA-N 2 1 310.526 3.491 20 0 DGADMP N[C@H](c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298288 1179889810 /nfs/dbraw/zinc/88/98/10/1179889810.db2.gz CUYUKVGXLOMOIB-HOTGVXAUSA-N 2 1 312.417 3.197 20 0 DGADMP N[C@H](c1noc([C@@H]2CCCN2C2CCCC2)n1)c1ccccc1 ZINC001349298288 1179889816 /nfs/dbraw/zinc/88/98/16/1179889816.db2.gz CUYUKVGXLOMOIB-HOTGVXAUSA-N 2 1 312.417 3.197 20 0 DGADMP N[C@@H](c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298291 1179889909 /nfs/dbraw/zinc/88/99/09/1179889909.db2.gz CUYUKVGXLOMOIB-JKSUJKDBSA-N 2 1 312.417 3.197 20 0 DGADMP N[C@@H](c1noc([C@@H]2CCCN2C2CCCC2)n1)c1ccccc1 ZINC001349298291 1179889924 /nfs/dbraw/zinc/88/99/24/1179889924.db2.gz CUYUKVGXLOMOIB-JKSUJKDBSA-N 2 1 312.417 3.197 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001349326346 1179893134 /nfs/dbraw/zinc/89/31/34/1179893134.db2.gz WZFVAKIOSUXKDJ-UHFFFAOYSA-N 2 1 314.473 3.441 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)n(C2CC2)c1 ZINC001349761942 1179945315 /nfs/dbraw/zinc/94/53/15/1179945315.db2.gz OPTISVLHTVRNLJ-IBGZPJMESA-N 2 1 323.484 3.477 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)ccc2O1 ZINC001352113135 1180298084 /nfs/dbraw/zinc/29/80/84/1180298084.db2.gz PYEKWSBYYBEGKI-HYEGPXJVSA-N 2 1 314.473 3.172 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])C[C@H](C)CC)c2C1 ZINC001353527505 1180580469 /nfs/dbraw/zinc/58/04/69/1180580469.db2.gz VUAOMMKEOAHQTH-CZUORRHYSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])C[C@H](C)CC)c2C1 ZINC001353527505 1180580474 /nfs/dbraw/zinc/58/04/74/1180580474.db2.gz VUAOMMKEOAHQTH-CZUORRHYSA-N 2 1 303.450 3.114 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001353712737 1180632551 /nfs/dbraw/zinc/63/25/51/1180632551.db2.gz AHAJUIHNQJHPHD-SFHVURJKSA-N 2 1 317.477 3.116 20 0 DGADMP FC(F)(F)CCC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001355243497 1181019698 /nfs/dbraw/zinc/01/96/98/1181019698.db2.gz JCXHHWFSIXYKEW-MRXNPFEDSA-N 2 1 314.395 3.483 20 0 DGADMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001355372945 1181045751 /nfs/dbraw/zinc/04/57/51/1181045751.db2.gz HITCJQYMSLNYNI-JQHSSLGASA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523856 1182591598 /nfs/dbraw/zinc/59/15/98/1182591598.db2.gz UONLSYMCDBQLDU-GJZGRUSLSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOC(F)(F)F)C1 ZINC001459523856 1182591604 /nfs/dbraw/zinc/59/16/04/1182591604.db2.gz UONLSYMCDBQLDU-GJZGRUSLSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOC(F)(F)F)C1 ZINC001459523856 1182591610 /nfs/dbraw/zinc/59/16/10/1182591610.db2.gz UONLSYMCDBQLDU-GJZGRUSLSA-N 2 1 322.415 3.499 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOC(F)(F)F)C1 ZINC001459523856 1182591614 /nfs/dbraw/zinc/59/16/14/1182591614.db2.gz UONLSYMCDBQLDU-GJZGRUSLSA-N 2 1 322.415 3.499 20 0 DGADMP CC[NH+](CC)CCN(CC[C@@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC001459602860 1182598325 /nfs/dbraw/zinc/59/83/25/1182598325.db2.gz NUSZSNNKYIDRQZ-HNNXBMFYSA-N 2 1 323.447 3.067 20 0 DGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459902996 1182628619 /nfs/dbraw/zinc/62/86/19/1182628619.db2.gz JMDNTRFRAJBDQE-VAMGGRTRSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459902996 1182628622 /nfs/dbraw/zinc/62/86/22/1182628622.db2.gz JMDNTRFRAJBDQE-VAMGGRTRSA-N 2 1 318.505 3.428 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC001459930414 1182630990 /nfs/dbraw/zinc/63/09/90/1182630990.db2.gz GDWPCYWKIVFVNW-HOTGVXAUSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001459930414 1182630993 /nfs/dbraw/zinc/63/09/93/1182630993.db2.gz GDWPCYWKIVFVNW-HOTGVXAUSA-N 2 1 317.477 3.223 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C3(CCCCC3)C2)c1C ZINC001460131108 1182655579 /nfs/dbraw/zinc/65/55/79/1182655579.db2.gz NFHMFSMWPCNUNS-UHFFFAOYSA-N 2 1 317.477 3.157 20 0 DGADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C3(CCCCC3)C2)c1C ZINC001460131108 1182655582 /nfs/dbraw/zinc/65/55/82/1182655582.db2.gz NFHMFSMWPCNUNS-UHFFFAOYSA-N 2 1 317.477 3.157 20 0 DGADMP C[N@@H+](CCCN1CCN(c2ccccc2)CC1)C1CC(C)(C)C1 ZINC001460214356 1182663825 /nfs/dbraw/zinc/66/38/25/1182663825.db2.gz NPJSXRAAZFXITP-UHFFFAOYSA-N 2 1 315.505 3.319 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C1CCC1 ZINC001460624912 1182702358 /nfs/dbraw/zinc/70/23/58/1182702358.db2.gz DWSYOYYMPFWIOR-RBUKOAKNSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)C[N@@H+](C[C@H]1CC2(CCC2)CO1)CC1CC[NH+](C)CC1 ZINC001460670417 1182706273 /nfs/dbraw/zinc/70/62/73/1182706273.db2.gz ISGSGLRCFHWXTR-GOSISDBHSA-N 2 1 308.510 3.245 20 0 DGADMP COC(C)(C)CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460751143 1182716293 /nfs/dbraw/zinc/71/62/93/1182716293.db2.gz ZGXIPRIFAPQLIT-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460751143 1182716299 /nfs/dbraw/zinc/71/62/99/1182716299.db2.gz ZGXIPRIFAPQLIT-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460751143 1182716303 /nfs/dbraw/zinc/71/63/03/1182716303.db2.gz ZGXIPRIFAPQLIT-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCc1ccsc1 ZINC001460803650 1182724789 /nfs/dbraw/zinc/72/47/89/1182724789.db2.gz ZECNGCDFTLZEPO-HNNXBMFYSA-N 2 1 301.459 3.286 20 0 DGADMP CC[C@@H](OCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862828 1182734005 /nfs/dbraw/zinc/73/40/05/1182734005.db2.gz JTZLAUGLOXKYED-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862828 1182734007 /nfs/dbraw/zinc/73/40/07/1182734007.db2.gz JTZLAUGLOXKYED-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862828 1182734013 /nfs/dbraw/zinc/73/40/13/1182734013.db2.gz JTZLAUGLOXKYED-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001460862828 1182734020 /nfs/dbraw/zinc/73/40/20/1182734020.db2.gz JTZLAUGLOXKYED-QRVBRYPASA-N 2 1 302.462 3.038 20 0 DGADMP COc1cc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)ccc1C ZINC001460971129 1182747411 /nfs/dbraw/zinc/74/74/11/1182747411.db2.gz IXLXUIMLTRERHG-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1cc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)ccc1C ZINC001460971129 1182747417 /nfs/dbraw/zinc/74/74/17/1182747417.db2.gz IXLXUIMLTRERHG-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1cc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)ccc1C ZINC001460971129 1182747422 /nfs/dbraw/zinc/74/74/22/1182747422.db2.gz IXLXUIMLTRERHG-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1cc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)ccc1C ZINC001460971129 1182747427 /nfs/dbraw/zinc/74/74/27/1182747427.db2.gz IXLXUIMLTRERHG-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP FC(F)(F)COc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC001461006720 1182754916 /nfs/dbraw/zinc/75/49/16/1182754916.db2.gz RMMBWVIZHWGPMI-UHFFFAOYSA-N 2 1 316.367 3.203 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC001461004082 1182755103 /nfs/dbraw/zinc/75/51/03/1182755103.db2.gz FYICZSXIRWXCLM-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)CC2 ZINC001461116857 1182770578 /nfs/dbraw/zinc/77/05/78/1182770578.db2.gz QKDYEEZOBNJOEI-SFHVURJKSA-N 2 1 316.489 3.407 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)CC2 ZINC001461116857 1182770582 /nfs/dbraw/zinc/77/05/82/1182770582.db2.gz QKDYEEZOBNJOEI-SFHVURJKSA-N 2 1 316.489 3.407 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCSc2ccc(OC)cc2)CC1 ZINC001462041574 1182899801 /nfs/dbraw/zinc/89/98/01/1182899801.db2.gz UZNJMJSVIVBRPV-UHFFFAOYSA-N 2 1 308.491 3.203 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCSc2ccc(OC)cc2)CC1 ZINC001462041574 1182899807 /nfs/dbraw/zinc/89/98/07/1182899807.db2.gz UZNJMJSVIVBRPV-UHFFFAOYSA-N 2 1 308.491 3.203 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3scnc3c2)CC1 ZINC001462089808 1182905528 /nfs/dbraw/zinc/90/55/28/1182905528.db2.gz AJAWMQRNMSYZJW-UHFFFAOYSA-N 2 1 301.459 3.357 20 0 DGADMP COc1ccc(SCC[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC001462200391 1182922014 /nfs/dbraw/zinc/92/20/14/1182922014.db2.gz IFCHIHGEXPKOPC-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC001462200391 1182922022 /nfs/dbraw/zinc/92/20/22/1182922022.db2.gz IFCHIHGEXPKOPC-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC001462200391 1182922028 /nfs/dbraw/zinc/92/20/28/1182922028.db2.gz IFCHIHGEXPKOPC-QAPCUYQASA-N 2 1 320.502 3.203 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001462205476 1182923614 /nfs/dbraw/zinc/92/36/14/1182923614.db2.gz YGQDTOAUGZXTOV-GOSISDBHSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2N(C)CCCC2(C)C)CC1 ZINC001462205476 1182923623 /nfs/dbraw/zinc/92/36/23/1182923623.db2.gz YGQDTOAUGZXTOV-GOSISDBHSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)C[N@H+](Cc1cccc2c1OCO2)CC1CC[NH+](C)CC1 ZINC001462523443 1182963735 /nfs/dbraw/zinc/96/37/35/1182963735.db2.gz QZZAJLVCYIUHTF-UHFFFAOYSA-N 2 1 318.461 3.215 20 0 DGADMP OC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCCC1 ZINC001473286672 1183738753 /nfs/dbraw/zinc/73/87/53/1183738753.db2.gz MTQAFBCTDUOION-AEFFLSMTSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCCC1 ZINC001473286672 1183738763 /nfs/dbraw/zinc/73/87/63/1183738763.db2.gz MTQAFBCTDUOION-AEFFLSMTSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCCC1 ZINC001473286672 1183738767 /nfs/dbraw/zinc/73/87/67/1183738767.db2.gz MTQAFBCTDUOION-AEFFLSMTSA-N 2 1 306.494 3.020 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC001473692268 1183789954 /nfs/dbraw/zinc/78/99/54/1183789954.db2.gz ZPOQHZLWGBWBIW-HQRMLTQVSA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC001473692268 1183789956 /nfs/dbraw/zinc/78/99/56/1183789956.db2.gz ZPOQHZLWGBWBIW-HQRMLTQVSA-N 2 1 316.489 3.495 20 0 DGADMP COC[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC001473692268 1183789957 /nfs/dbraw/zinc/78/99/57/1183789957.db2.gz ZPOQHZLWGBWBIW-HQRMLTQVSA-N 2 1 316.489 3.495 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786402 1183802983 /nfs/dbraw/zinc/80/29/83/1183802983.db2.gz ADTLONQSSTYTCK-KRWDZBQOSA-N 2 1 300.446 3.288 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786402 1183802984 /nfs/dbraw/zinc/80/29/84/1183802984.db2.gz ADTLONQSSTYTCK-KRWDZBQOSA-N 2 1 300.446 3.288 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786402 1183802985 /nfs/dbraw/zinc/80/29/85/1183802985.db2.gz ADTLONQSSTYTCK-KRWDZBQOSA-N 2 1 300.446 3.288 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001473786402 1183802986 /nfs/dbraw/zinc/80/29/86/1183802986.db2.gz ADTLONQSSTYTCK-KRWDZBQOSA-N 2 1 300.446 3.288 20 0 DGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)c2c(n1)CCCC2 ZINC001473915568 1183827114 /nfs/dbraw/zinc/82/71/14/1183827114.db2.gz AKUPRAMZOKEWPL-UHFFFAOYSA-N 2 1 315.505 3.480 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC001474018798 1183851626 /nfs/dbraw/zinc/85/16/26/1183851626.db2.gz FPJFPUUTVHZZEL-UHFFFAOYSA-N 2 1 304.463 3.097 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001474167359 1183875569 /nfs/dbraw/zinc/87/55/69/1183875569.db2.gz CVMBYOBGVHWGCL-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001474167359 1183875580 /nfs/dbraw/zinc/87/55/80/1183875580.db2.gz CVMBYOBGVHWGCL-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001474302868 1183900659 /nfs/dbraw/zinc/90/06/59/1183900659.db2.gz JAZMEGYWIRJZQI-FVQBIDKESA-N 2 1 323.278 3.187 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317503 1183904152 /nfs/dbraw/zinc/90/41/52/1183904152.db2.gz HQSSSZDARQDVJP-SWLSCSKDSA-N 2 1 320.506 3.175 20 0 DGADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001474473186 1183928424 /nfs/dbraw/zinc/92/84/24/1183928424.db2.gz KGIKUXSMZCZLHH-ROUUACIJSA-N 2 1 307.526 3.127 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001474634764 1183953504 /nfs/dbraw/zinc/95/35/04/1183953504.db2.gz YCTKINCTMGHTCE-NVXWUHKLSA-N 2 1 324.509 3.018 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001474712565 1183966449 /nfs/dbraw/zinc/96/64/49/1183966449.db2.gz CRNVLFFZPWZYMD-HSALFYBXSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001474712565 1183966454 /nfs/dbraw/zinc/96/64/54/1183966454.db2.gz CRNVLFFZPWZYMD-HSALFYBXSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001474712565 1183966455 /nfs/dbraw/zinc/96/64/55/1183966455.db2.gz CRNVLFFZPWZYMD-HSALFYBXSA-N 2 1 312.457 3.133 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001507372648 1186406892 /nfs/dbraw/zinc/40/68/92/1186406892.db2.gz CFKUAUUNTMCNDX-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC001542360803 1188282985 /nfs/dbraw/zinc/28/29/85/1188282985.db2.gz JRHFKBIJJKUMHE-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC001549037190 1188488624 /nfs/dbraw/zinc/48/86/24/1188488624.db2.gz VITRHBMJKDZZSA-UFYCRDLUSA-N 2 1 321.468 3.394 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC001549037190 1188488626 /nfs/dbraw/zinc/48/86/26/1188488626.db2.gz VITRHBMJKDZZSA-UFYCRDLUSA-N 2 1 321.468 3.394 20 0 DGADMP COc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)ccc1OC(C)C ZINC001549087325 1188492522 /nfs/dbraw/zinc/49/25/22/1188492522.db2.gz BXSYDLRIMNPMJU-VQIMIIECSA-N 2 1 318.461 3.043 20 0 DGADMP c1ccc([C@@H]2C[C@H]3[C@@H](CCC[N@@H+]3CCC3CC[NH2+]CC3)O2)cc1 ZINC001549112971 1188495686 /nfs/dbraw/zinc/49/56/86/1188495686.db2.gz MLWOPQFUFVYSIG-ZCNNSNEGSA-N 2 1 314.473 3.371 20 0 DGADMP O[C@@H]1CC[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]12 ZINC001549607429 1188529690 /nfs/dbraw/zinc/52/96/90/1188529690.db2.gz BXMGQNAZZMQHJY-ZCNNSNEGSA-N 2 1 314.473 3.018 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@@H]2C[C@@H]2[NH3+])cc1)c1ccccc1 ZINC001550099704 1188580903 /nfs/dbraw/zinc/58/09/03/1188580903.db2.gz SPPJRJJYJYXAQO-FHWLQOOXSA-N 2 1 323.440 3.133 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@@H]2C[C@@H]2[NH3+])cc1)c1ccccc1 ZINC001550099704 1188580907 /nfs/dbraw/zinc/58/09/07/1188580907.db2.gz SPPJRJJYJYXAQO-FHWLQOOXSA-N 2 1 323.440 3.133 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC001550174854 1188591042 /nfs/dbraw/zinc/59/10/42/1188591042.db2.gz IBSJUCVDUOFLIF-QAPCUYQASA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC001550174854 1188591045 /nfs/dbraw/zinc/59/10/45/1188591045.db2.gz IBSJUCVDUOFLIF-QAPCUYQASA-N 2 1 313.470 3.371 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3ccsc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550355815 1188610006 /nfs/dbraw/zinc/61/00/06/1188610006.db2.gz SAXHAMWDTRJMTJ-MWIANEHASA-N 2 1 322.518 3.269 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c2ccccc2O1 ZINC001550473893 1188617598 /nfs/dbraw/zinc/61/75/98/1188617598.db2.gz SWCWPAFHSJOSRC-QMQAMEMWSA-N 2 1 300.446 3.265 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542943 1188622324 /nfs/dbraw/zinc/62/23/24/1188622324.db2.gz BIHOHXQCMXQGFH-HZPDHXFCSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542943 1188622328 /nfs/dbraw/zinc/62/23/28/1188622328.db2.gz BIHOHXQCMXQGFH-HZPDHXFCSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542943 1188622331 /nfs/dbraw/zinc/62/23/31/1188622331.db2.gz BIHOHXQCMXQGFH-HZPDHXFCSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC001550542943 1188622333 /nfs/dbraw/zinc/62/23/33/1188622333.db2.gz BIHOHXQCMXQGFH-HZPDHXFCSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)nc4ccccc34)C[C@H]2C1 ZINC001550543282 1188622735 /nfs/dbraw/zinc/62/27/35/1188622735.db2.gz LJJBCUUTGRHSPZ-DZGCQCFKSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)nc4ccccc34)C[C@H]2C1 ZINC001550543282 1188622738 /nfs/dbraw/zinc/62/27/38/1188622738.db2.gz LJJBCUUTGRHSPZ-DZGCQCFKSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)nc4ccccc34)C[C@H]2C1 ZINC001550543282 1188622740 /nfs/dbraw/zinc/62/27/40/1188622740.db2.gz LJJBCUUTGRHSPZ-DZGCQCFKSA-N 2 1 315.848 3.272 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001550953083 1188674777 /nfs/dbraw/zinc/67/47/77/1188674777.db2.gz VNQBGKYOJHGTTF-PMPSAXMXSA-N 2 1 303.450 3.138 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@@H]2CCOC[C@@H]2C1 ZINC001552169240 1188822274 /nfs/dbraw/zinc/82/22/74/1188822274.db2.gz GGWYUWWMDQOLPJ-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP CO[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317291 1188835285 /nfs/dbraw/zinc/83/52/85/1188835285.db2.gz LMBKMHGFVBVSTI-OALUTQOASA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317291 1188835287 /nfs/dbraw/zinc/83/52/87/1188835287.db2.gz LMBKMHGFVBVSTI-OALUTQOASA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@H]1C[C@@H](CF)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317572 1188835621 /nfs/dbraw/zinc/83/56/21/1188835621.db2.gz QBSYGRFEPAXPHH-OALUTQOASA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@H]1C[C@@H](CF)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552317572 1188835625 /nfs/dbraw/zinc/83/56/25/1188835625.db2.gz QBSYGRFEPAXPHH-OALUTQOASA-N 2 1 320.452 3.231 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001553014294 1188889105 /nfs/dbraw/zinc/88/91/05/1188889105.db2.gz RDZLWGBEMIAYOW-KTWXZFIHSA-N 2 1 318.436 3.200 20 0 DGADMP CC[C@@H](C)[N@@H+](CCc1ccccc1F)C[C@@H](O)C[NH+](C)C(C)C ZINC001559507208 1189211718 /nfs/dbraw/zinc/21/17/18/1189211718.db2.gz RGMCUXSQEAQTOV-AEFFLSMTSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@@H](C)[NH+](CCc1ccccc1F)C[C@@H](O)C[N@H+](C)C(C)C ZINC001559507208 1189211721 /nfs/dbraw/zinc/21/17/21/1189211721.db2.gz RGMCUXSQEAQTOV-AEFFLSMTSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@@H](C)[NH+](CCc1ccccc1F)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001559507208 1189211723 /nfs/dbraw/zinc/21/17/23/1189211723.db2.gz RGMCUXSQEAQTOV-AEFFLSMTSA-N 2 1 324.484 3.170 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001559749451 1189238745 /nfs/dbraw/zinc/23/87/45/1189238745.db2.gz PWGMPCBAMGOWBU-KRWDZBQOSA-N 2 1 304.554 3.148 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001559749451 1189238749 /nfs/dbraw/zinc/23/87/49/1189238749.db2.gz PWGMPCBAMGOWBU-KRWDZBQOSA-N 2 1 304.554 3.148 20 0 DGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001559945664 1189260109 /nfs/dbraw/zinc/26/01/09/1189260109.db2.gz AMQNMXMPQQGKDE-JXFKEZNVSA-N 2 1 312.457 3.289 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCC[C@@H]2O)CC1 ZINC001560068347 1189274783 /nfs/dbraw/zinc/27/47/83/1189274783.db2.gz BQJYZESZMIZFLS-FHWLQOOXSA-N 2 1 308.510 3.124 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCCc2c(cccc2OC)C1)[NH+]1CCCC1 ZINC001560261805 1189301569 /nfs/dbraw/zinc/30/15/69/1189301569.db2.gz UCWRXNBHSRZBPE-QZTJIDSGSA-N 2 1 316.489 3.407 20 0 DGADMP Cc1cccn2c(C[NH2+]CCCC[N@@H+]3CCC[C@@H](C)C3)cnc12 ZINC001560270996 1189303069 /nfs/dbraw/zinc/30/30/69/1189303069.db2.gz QYTULLHLSNQSRK-MRXNPFEDSA-N 2 1 314.477 3.244 20 0 DGADMP CCCn1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC001560435194 1189327913 /nfs/dbraw/zinc/32/79/13/1189327913.db2.gz ANSQTZVAMJOUJX-RDJZCZTQSA-N 2 1 318.509 3.344 20 0 DGADMP CCCn1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC001560435194 1189327917 /nfs/dbraw/zinc/32/79/17/1189327917.db2.gz ANSQTZVAMJOUJX-RDJZCZTQSA-N 2 1 318.509 3.344 20 0 DGADMP COc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560436007 1189327991 /nfs/dbraw/zinc/32/79/91/1189327991.db2.gz MWPQENAFJWMMFB-NVXWUHKLSA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560436007 1189327995 /nfs/dbraw/zinc/32/79/95/1189327995.db2.gz MWPQENAFJWMMFB-NVXWUHKLSA-N 2 1 302.462 3.438 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2nccc3c2CCCC3)CCCC1 ZINC001560434507 1189328901 /nfs/dbraw/zinc/32/89/01/1189328901.db2.gz YKLKNBKDZCOMGH-UHFFFAOYSA-N 2 1 301.478 3.172 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC001560488220 1189333418 /nfs/dbraw/zinc/33/34/18/1189333418.db2.gz WQYUQAQOFVAWBB-AWEZNQCLSA-N 2 1 314.477 3.085 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC001560533732 1189337684 /nfs/dbraw/zinc/33/76/84/1189337684.db2.gz XDJZIWIRGZTLPP-ROUUACIJSA-N 2 1 316.489 3.038 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001560627540 1189351032 /nfs/dbraw/zinc/35/10/32/1189351032.db2.gz DMGSQVDBLRVMTM-OAHLLOKOSA-N 2 1 303.475 3.460 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)CC1 ZINC001560650960 1189355874 /nfs/dbraw/zinc/35/58/74/1189355874.db2.gz DBXBEWATDUUCLH-LJQANCHMSA-N 2 1 316.489 3.434 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC001560906771 1189403467 /nfs/dbraw/zinc/40/34/67/1189403467.db2.gz SXGCENXKIAGULJ-HXUWFJFHSA-N 2 1 316.489 3.033 20 0 DGADMP CCO[C@H](C[NH2+][C@H](C)CCc1ccc(Cl)s1)C[NH+](C)C ZINC001561002852 1189418127 /nfs/dbraw/zinc/41/81/27/1189418127.db2.gz ZLIIMLCNKPFMSF-CHWSQXEVSA-N 2 1 318.914 3.279 20 0 DGADMP C[C@@H]1C[C@@H]1CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001561050314 1189426394 /nfs/dbraw/zinc/42/63/94/1189426394.db2.gz TWIJVMGBXUVTSB-HUUCEWRRSA-N 2 1 310.445 3.055 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001566105496 1189734297 /nfs/dbraw/zinc/73/42/97/1189734297.db2.gz HXCNNLOJEGYIKJ-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001566105496 1189734304 /nfs/dbraw/zinc/73/43/04/1189734304.db2.gz HXCNNLOJEGYIKJ-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001566105496 1189734308 /nfs/dbraw/zinc/73/43/08/1189734308.db2.gz HXCNNLOJEGYIKJ-FGTMMUONSA-N 2 1 323.525 3.019 20 0 DGADMP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001566534125 1189794475 /nfs/dbraw/zinc/79/44/75/1189794475.db2.gz IXELRZNJNNRQEZ-YQJUVHNHSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568138033 1190433048 /nfs/dbraw/zinc/43/30/48/1190433048.db2.gz ANIDOHPMIJXOOZ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001569450408 1190700955 /nfs/dbraw/zinc/70/09/55/1190700955.db2.gz DOHUEWIXFGADPF-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCCC1 ZINC001569450408 1190700957 /nfs/dbraw/zinc/70/09/57/1190700957.db2.gz DOHUEWIXFGADPF-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCCC1 ZINC001569450408 1190700967 /nfs/dbraw/zinc/70/09/67/1190700967.db2.gz DOHUEWIXFGADPF-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H](C)CC[NH+](C)C)cc2)c1C ZINC001569822667 1190759612 /nfs/dbraw/zinc/75/96/12/1190759612.db2.gz ILIDYGFDYMMHKO-ZDUSSCGKSA-N 2 1 314.433 3.015 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001574799169 1191452956 /nfs/dbraw/zinc/45/29/56/1191452956.db2.gz CYVJQDDMYHLYPK-ONCXSQPRSA-N 3 1 319.537 3.294 20 0 DGADMP C([NH2+][C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001574799169 1191452957 /nfs/dbraw/zinc/45/29/57/1191452957.db2.gz CYVJQDDMYHLYPK-ONCXSQPRSA-N 3 1 319.537 3.294 20 0 DGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC001575247535 1191469614 /nfs/dbraw/zinc/46/96/14/1191469614.db2.gz OVDAJBGSLSJNMX-UHFFFAOYSA-N 2 1 318.461 3.393 20 0 DGADMP CC(C)(C)c1ccc(CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001575272853 1191472803 /nfs/dbraw/zinc/47/28/03/1191472803.db2.gz REKLGPLXQMWHLV-AWEZNQCLSA-N 2 1 302.384 3.396 20 0 DGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC001575974558 1191521450 /nfs/dbraw/zinc/52/14/50/1191521450.db2.gz BWJVODDWHCJPPJ-WMZOPIPTSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCC1C[NH2+]C1 ZINC001576055462 1191526125 /nfs/dbraw/zinc/52/61/25/1191526125.db2.gz CNPDUYVBGNMWPL-LBPRGKRZSA-N 2 1 300.368 3.178 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001576117395 1191531680 /nfs/dbraw/zinc/53/16/80/1191531680.db2.gz NYKUXYHMUNEQMB-JRPNMDOOSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001576117395 1191531683 /nfs/dbraw/zinc/53/16/83/1191531683.db2.gz NYKUXYHMUNEQMB-JRPNMDOOSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@@H]([NH2+]C1(C[NH2+]CC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC001576234846 1191544718 /nfs/dbraw/zinc/54/47/18/1191544718.db2.gz AGEROYKQEAXXEI-QGZVFWFLSA-N 3 1 315.505 3.239 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC1(C)C ZINC001618654869 1193746824 /nfs/dbraw/zinc/74/68/24/1193746824.db2.gz VTQLBENFRXLZCA-OALUTQOASA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CCN1c1cc[nH+]cc1 ZINC001620542572 1193777768 /nfs/dbraw/zinc/77/77/68/1193777768.db2.gz DIJHZKQSBFQWRJ-CVEARBPZSA-N 2 1 317.477 3.186 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC001621099825 1193801299 /nfs/dbraw/zinc/80/12/99/1193801299.db2.gz LGJSPEFRHNZUAT-MOPGFXCFSA-N 2 1 316.489 3.159 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@H]2C1 ZINC001621107845 1193802552 /nfs/dbraw/zinc/80/25/52/1193802552.db2.gz BDCQCUANALFFLT-MELADBBJSA-N 2 1 314.351 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@H]2C1 ZINC001621107845 1193802554 /nfs/dbraw/zinc/80/25/54/1193802554.db2.gz BDCQCUANALFFLT-MELADBBJSA-N 2 1 314.351 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(Oc4ccccn4)c3)[C@H]2C1 ZINC001621108017 1193804038 /nfs/dbraw/zinc/80/40/38/1193804038.db2.gz FQMZVKUHLIUISI-WDSOQIARSA-N 2 1 323.440 3.304 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C)c2F)C1 ZINC001621152333 1193809746 /nfs/dbraw/zinc/80/97/46/1193809746.db2.gz HXTVEIPCMQBDPL-QGZVFWFLSA-N 2 1 308.441 3.067 20 0 DGADMP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244467 1193821558 /nfs/dbraw/zinc/82/15/58/1193821558.db2.gz NXXZCBJQEPWGIY-IRXDYDNUSA-N 3 1 321.553 3.492 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001621244467 1193821562 /nfs/dbraw/zinc/82/15/62/1193821562.db2.gz NXXZCBJQEPWGIY-IRXDYDNUSA-N 3 1 321.553 3.492 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001621244467 1193821566 /nfs/dbraw/zinc/82/15/66/1193821566.db2.gz NXXZCBJQEPWGIY-IRXDYDNUSA-N 3 1 321.553 3.492 20 0 DGADMP COCC[N@@H+](CCc1ccc(C)c(C)c1)CC1CC[NH+](C)CC1 ZINC001621474266 1193847000 /nfs/dbraw/zinc/84/70/00/1193847000.db2.gz PEWGGUNTUQIIBF-UHFFFAOYSA-N 2 1 318.505 3.136 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000029655042 1193879263 /nfs/dbraw/zinc/87/92/63/1193879263.db2.gz WFIXYUQIDZXOMJ-UHFFFAOYSA-N 2 1 312.461 3.349 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC[C@H](C4CC4)O3)C2)CC1 ZINC001641633812 1194864056 /nfs/dbraw/zinc/86/40/56/1194864056.db2.gz LZAJKXIRWBEGLM-DFQSSKMNSA-N 2 1 320.521 3.388 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC[C@H](C4CC4)O3)C2)CC1 ZINC001641633812 1194864059 /nfs/dbraw/zinc/86/40/59/1194864059.db2.gz LZAJKXIRWBEGLM-DFQSSKMNSA-N 2 1 320.521 3.388 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC)c(OCC)c2)CC1 ZINC000057600849 1194901568 /nfs/dbraw/zinc/90/15/68/1194901568.db2.gz MSUZMPPJGUSDKZ-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC001642693055 1194929720 /nfs/dbraw/zinc/92/97/20/1194929720.db2.gz WPPFTKSPQIUTKX-MRXNPFEDSA-N 2 1 312.498 3.162 20 0 DGADMP CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001642773474 1194938274 /nfs/dbraw/zinc/93/82/74/1194938274.db2.gz DIASLIAYQYTZBM-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)CN(C)C2CC2)c(C)c1 ZINC001643545587 1195033518 /nfs/dbraw/zinc/03/35/18/1195033518.db2.gz GONTXIMBVGBFNT-FQEVSTJZSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)c(C)c1 ZINC001643545587 1195033520 /nfs/dbraw/zinc/03/35/20/1195033520.db2.gz GONTXIMBVGBFNT-FQEVSTJZSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)c(C)c1 ZINC001643545587 1195033523 /nfs/dbraw/zinc/03/35/23/1195033523.db2.gz GONTXIMBVGBFNT-FQEVSTJZSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC001643545587 1195033525 /nfs/dbraw/zinc/03/35/25/1195033525.db2.gz GONTXIMBVGBFNT-FQEVSTJZSA-N 2 1 318.505 3.217 20 0 DGADMP Cc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC001643545587 1195033528 /nfs/dbraw/zinc/03/35/28/1195033528.db2.gz GONTXIMBVGBFNT-FQEVSTJZSA-N 2 1 318.505 3.217 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC001644635589 1195122324 /nfs/dbraw/zinc/12/23/24/1195122324.db2.gz HHZJLBMWQTXJPJ-QRVBRYPASA-N 2 1 310.526 3.491 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC001644635589 1195122325 /nfs/dbraw/zinc/12/23/25/1195122325.db2.gz HHZJLBMWQTXJPJ-QRVBRYPASA-N 2 1 310.526 3.491 20 0 DGADMP C1=CCC(C[N@H+]2CCCN(Cc3ccccc3)CCOCC2)C1 ZINC001644662210 1195123632 /nfs/dbraw/zinc/12/36/32/1195123632.db2.gz QGUNXAWWXUDWSU-UHFFFAOYSA-N 2 1 314.473 3.177 20 0 DGADMP C1=CCC(C[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)C1 ZINC001644662210 1195123633 /nfs/dbraw/zinc/12/36/33/1195123633.db2.gz QGUNXAWWXUDWSU-UHFFFAOYSA-N 2 1 314.473 3.177 20 0 DGADMP C1=CCC(C[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)C1 ZINC001644662210 1195123635 /nfs/dbraw/zinc/12/36/35/1195123635.db2.gz QGUNXAWWXUDWSU-UHFFFAOYSA-N 2 1 314.473 3.177 20 0 DGADMP C1=CCC(C[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)C1 ZINC001644662210 1195123637 /nfs/dbraw/zinc/12/36/37/1195123637.db2.gz QGUNXAWWXUDWSU-UHFFFAOYSA-N 2 1 314.473 3.177 20 0 DGADMP C1=CCC(C[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)C1 ZINC001644662210 1195123638 /nfs/dbraw/zinc/12/36/38/1195123638.db2.gz QGUNXAWWXUDWSU-UHFFFAOYSA-N 2 1 314.473 3.177 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000063917533 1195325479 /nfs/dbraw/zinc/32/54/79/1195325479.db2.gz YYJSOGBDYFDTMI-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(C2CCCCC2)n1 ZINC001648725846 1195326041 /nfs/dbraw/zinc/32/60/41/1195326041.db2.gz XOFMAHOSNKPPHK-UHFFFAOYSA-N 2 1 318.509 3.433 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2c(c1)ncn2C)C(C)C ZINC001650656683 1195368629 /nfs/dbraw/zinc/36/86/29/1195368629.db2.gz JZPXIIGDHNZYDB-UHFFFAOYSA-N 2 1 302.466 3.172 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001650653453 1195368903 /nfs/dbraw/zinc/36/89/03/1195368903.db2.gz IPGSIMKBDSEDJR-UHFFFAOYSA-N 2 1 302.466 3.241 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC001651697544 1195498204 /nfs/dbraw/zinc/49/82/04/1195498204.db2.gz CENNQWDVQLJOPO-NUEKZKHPSA-N 2 1 305.491 3.231 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC001651697544 1195498208 /nfs/dbraw/zinc/49/82/08/1195498208.db2.gz CENNQWDVQLJOPO-NUEKZKHPSA-N 2 1 305.491 3.231 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001651737151 1195503509 /nfs/dbraw/zinc/50/35/09/1195503509.db2.gz CLPNDKCUHWUCBZ-KRWDZBQOSA-N 2 1 301.478 3.345 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001652684547 1195636674 /nfs/dbraw/zinc/63/66/74/1195636674.db2.gz MARSNHGKGKBPFX-RDJZCZTQSA-N 2 1 324.509 3.018 20 0 DGADMP CC[N@@H+](CCC[NH2+]C1CC(c2nc(C)no2)C1)C1CCCCC1 ZINC001652775650 1195651067 /nfs/dbraw/zinc/65/10/67/1195651067.db2.gz NQWFHLBSRWSNIH-UHFFFAOYSA-N 2 1 320.481 3.258 20 0 DGADMP COC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001653075625 1195686067 /nfs/dbraw/zinc/68/60/67/1195686067.db2.gz JVUWSFIUJXVMCO-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP COC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001653075625 1195686070 /nfs/dbraw/zinc/68/60/70/1195686070.db2.gz JVUWSFIUJXVMCO-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP COC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001653075625 1195686072 /nfs/dbraw/zinc/68/60/72/1195686072.db2.gz JVUWSFIUJXVMCO-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4scnc4c3)C[C@H]2C1 ZINC001653242296 1195702379 /nfs/dbraw/zinc/70/23/79/1195702379.db2.gz ZMMPTZQMDKAHAO-ARFHVFGLSA-N 2 1 315.486 3.458 20 0 DGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001653268796 1195706110 /nfs/dbraw/zinc/70/61/10/1195706110.db2.gz AVHCTYCJECKBIK-NMSZZDKCSA-N 2 1 312.501 3.426 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000068353206 1195716169 /nfs/dbraw/zinc/71/61/69/1195716169.db2.gz WHSFSJSQFNMSHQ-LBPRGKRZSA-N 2 1 314.857 3.177 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC001653446299 1195721627 /nfs/dbraw/zinc/72/16/27/1195721627.db2.gz YBQJQSLOTVLEJM-PMACEKPBSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC001653446299 1195721630 /nfs/dbraw/zinc/72/16/30/1195721630.db2.gz YBQJQSLOTVLEJM-PMACEKPBSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001653446299 1195721633 /nfs/dbraw/zinc/72/16/33/1195721633.db2.gz YBQJQSLOTVLEJM-PMACEKPBSA-N 2 1 320.521 3.339 20 0 DGADMP CCc1ccccc1CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001653533996 1195731773 /nfs/dbraw/zinc/73/17/73/1195731773.db2.gz SIUGNISOPKIAMS-FQEVSTJZSA-N 2 1 318.505 3.224 20 0 DGADMP C[N@H+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C(C)(C)C1 ZINC001653796991 1195751040 /nfs/dbraw/zinc/75/10/40/1195751040.db2.gz WEBCEKZNRPZMEQ-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC001654433775 1195803611 /nfs/dbraw/zinc/80/36/11/1195803611.db2.gz OKVGBGGVVAABHE-UHFFFAOYSA-N 2 1 315.505 3.245 20 0 DGADMP CC(C)COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654726790 1195833169 /nfs/dbraw/zinc/83/31/69/1195833169.db2.gz BNAPICDOZQKOGF-VQTJNVASSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654726790 1195833173 /nfs/dbraw/zinc/83/31/73/1195833173.db2.gz BNAPICDOZQKOGF-VQTJNVASSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654726790 1195833177 /nfs/dbraw/zinc/83/31/77/1195833177.db2.gz BNAPICDOZQKOGF-VQTJNVASSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654726790 1195833181 /nfs/dbraw/zinc/83/31/81/1195833181.db2.gz BNAPICDOZQKOGF-VQTJNVASSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001655130694 1195880145 /nfs/dbraw/zinc/88/01/45/1195880145.db2.gz LAHHQXJLWHKPKF-IRXDYDNUSA-N 3 1 318.509 3.302 20 0 DGADMP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001655130694 1195880148 /nfs/dbraw/zinc/88/01/48/1195880148.db2.gz LAHHQXJLWHKPKF-IRXDYDNUSA-N 3 1 318.509 3.302 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001655130694 1195880153 /nfs/dbraw/zinc/88/01/53/1195880153.db2.gz LAHHQXJLWHKPKF-IRXDYDNUSA-N 3 1 318.509 3.302 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2c[nH]nc21)C1CCCCC1 ZINC001655172794 1195885930 /nfs/dbraw/zinc/88/59/30/1195885930.db2.gz KFXXGCVOUHYXNN-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC001655282803 1195899164 /nfs/dbraw/zinc/89/91/64/1195899164.db2.gz PAYPDZKMMXOAFE-IKGGRYGDSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC001655282803 1195899166 /nfs/dbraw/zinc/89/91/66/1195899166.db2.gz PAYPDZKMMXOAFE-IKGGRYGDSA-N 2 1 302.462 3.263 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655421031 1195915180 /nfs/dbraw/zinc/91/51/80/1195915180.db2.gz NKQFRSMDESTQOF-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655421031 1195915183 /nfs/dbraw/zinc/91/51/83/1195915183.db2.gz NKQFRSMDESTQOF-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001655634394 1195943731 /nfs/dbraw/zinc/94/37/31/1195943731.db2.gz QPPZYMXCQCEQSM-INIZCTEOSA-N 2 1 307.441 3.281 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC001655725388 1195956082 /nfs/dbraw/zinc/95/60/82/1195956082.db2.gz WBTGVXUMJDOLBG-ZIAGYGMSSA-N 2 1 324.852 3.074 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001655724814 1195956796 /nfs/dbraw/zinc/95/67/96/1195956796.db2.gz IOGLAZRDCZZRSG-MJGOQNOKSA-N 2 1 312.461 3.143 20 0 DGADMP Cn1cnc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc21 ZINC001655762455 1195960786 /nfs/dbraw/zinc/96/07/86/1195960786.db2.gz PDEPFHHCHCTTAB-UHFFFAOYSA-N 2 1 312.461 3.070 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001655777047 1195961434 /nfs/dbraw/zinc/96/14/34/1195961434.db2.gz LYVASERYEAJRDS-UHFFFAOYSA-N 2 1 320.477 3.064 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1C ZINC001655776919 1195961707 /nfs/dbraw/zinc/96/17/07/1195961707.db2.gz FRUCGCBFZOXHQJ-UHFFFAOYSA-N 2 1 304.478 3.282 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001655962019 1195983280 /nfs/dbraw/zinc/98/32/80/1195983280.db2.gz GPYGDZXRWYBENM-UYAOXDASSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001655977193 1195984238 /nfs/dbraw/zinc/98/42/38/1195984238.db2.gz IBUHTGDRZWGYKF-NRFANRHFSA-N 2 1 324.468 3.242 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCOCC3)cc2)C1 ZINC001656057269 1195993376 /nfs/dbraw/zinc/99/33/76/1195993376.db2.gz BXJAWXFFRBYDLZ-CALCHBBNSA-N 2 1 316.489 3.433 20 0 DGADMP CCn1cnc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC001656064797 1195993753 /nfs/dbraw/zinc/99/37/53/1195993753.db2.gz UQHOOJANIKPFIN-AWEZNQCLSA-N 2 1 312.889 3.158 20 0 DGADMP Cc1cccc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001656071564 1195995009 /nfs/dbraw/zinc/99/50/09/1195995009.db2.gz XDXVZUFCBLKQPA-FQEVSTJZSA-N 2 1 324.468 3.160 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)CC1CCC1 ZINC001656296298 1196027562 /nfs/dbraw/zinc/02/75/62/1196027562.db2.gz ISVQGSFYKACLON-IBGZPJMESA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC001656582949 1196052065 /nfs/dbraw/zinc/05/20/65/1196052065.db2.gz BVKRUWQPNCIJFM-KCYZZUKISA-N 2 1 308.491 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC001656582949 1196052069 /nfs/dbraw/zinc/05/20/69/1196052069.db2.gz BVKRUWQPNCIJFM-KCYZZUKISA-N 2 1 308.491 3.288 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC001656662424 1196059541 /nfs/dbraw/zinc/05/95/41/1196059541.db2.gz BZSUCIACBPWKAR-UHFFFAOYSA-N 2 1 312.404 3.295 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC001656743807 1196067353 /nfs/dbraw/zinc/06/73/53/1196067353.db2.gz XMFWTGRKIMRYRC-UHFFFAOYSA-N 2 1 300.450 3.205 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC001656743807 1196067354 /nfs/dbraw/zinc/06/73/54/1196067354.db2.gz XMFWTGRKIMRYRC-UHFFFAOYSA-N 2 1 300.450 3.205 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001656753964 1196069013 /nfs/dbraw/zinc/06/90/13/1196069013.db2.gz WLVSUWBCAWVFOQ-VQTJNVASSA-N 2 1 316.489 3.228 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001656753964 1196069014 /nfs/dbraw/zinc/06/90/14/1196069014.db2.gz WLVSUWBCAWVFOQ-VQTJNVASSA-N 2 1 316.489 3.228 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC001657010782 1196093017 /nfs/dbraw/zinc/09/30/17/1196093017.db2.gz BZOZCQPUJSXCBR-RDJZCZTQSA-N 2 1 312.498 3.018 20 0 DGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001657145699 1196110658 /nfs/dbraw/zinc/11/06/58/1196110658.db2.gz MGPZBDFMSCMDBE-HOTGVXAUSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC001657145699 1196110659 /nfs/dbraw/zinc/11/06/59/1196110659.db2.gz MGPZBDFMSCMDBE-HOTGVXAUSA-N 2 1 317.477 3.223 20 0 DGADMP c1ccc(CN2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000072786081 1196117217 /nfs/dbraw/zinc/11/72/17/1196117217.db2.gz OWPSYADMDXGBSJ-UHFFFAOYSA-N 2 1 315.505 3.117 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC001657229608 1196120201 /nfs/dbraw/zinc/12/02/01/1196120201.db2.gz PDEQGOPBVBCAGW-FXAWDEMLSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC001657229608 1196120204 /nfs/dbraw/zinc/12/02/04/1196120204.db2.gz PDEQGOPBVBCAGW-FXAWDEMLSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC001657229608 1196120207 /nfs/dbraw/zinc/12/02/07/1196120207.db2.gz PDEQGOPBVBCAGW-FXAWDEMLSA-N 2 1 314.473 3.452 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC000072981130 1196125227 /nfs/dbraw/zinc/12/52/27/1196125227.db2.gz NLFFBISKPQYCRL-UHFFFAOYSA-N 2 1 322.456 3.466 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001657628055 1196161742 /nfs/dbraw/zinc/16/17/42/1196161742.db2.gz OTAQRJOIPMWPBH-AZUAARDMSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001657628055 1196161744 /nfs/dbraw/zinc/16/17/44/1196161744.db2.gz OTAQRJOIPMWPBH-AZUAARDMSA-N 2 1 317.521 3.389 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001657628055 1196161747 /nfs/dbraw/zinc/16/17/47/1196161747.db2.gz OTAQRJOIPMWPBH-AZUAARDMSA-N 2 1 317.521 3.389 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(N2CCCC2)nc1)[NH+]1CCCCC1 ZINC001657768364 1196176972 /nfs/dbraw/zinc/17/69/72/1196176972.db2.gz JCHNYLIWTNCNOR-KRWDZBQOSA-N 2 1 316.493 3.036 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC001658445035 1196258210 /nfs/dbraw/zinc/25/82/10/1196258210.db2.gz HEHWHCXWLXHVHU-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC001658445035 1196258213 /nfs/dbraw/zinc/25/82/13/1196258213.db2.gz HEHWHCXWLXHVHU-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001658714449 1196291686 /nfs/dbraw/zinc/29/16/86/1196291686.db2.gz MXVODVCNWRQGMY-XUVXKRRUSA-N 3 1 323.569 3.430 20 0 DGADMP C[NH+]1CCN(c2ccc(NCC(C)(C)C)c3c[nH+]ccc32)CC1 ZINC001658767988 1196298346 /nfs/dbraw/zinc/29/83/46/1196298346.db2.gz IRIFEWPANOFECU-UHFFFAOYSA-N 2 1 312.461 3.445 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1C ZINC001658777952 1196300113 /nfs/dbraw/zinc/30/01/13/1196300113.db2.gz MUUUAGXJJWRQSQ-YVWKXTFCSA-N 2 1 316.489 3.188 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC001658860576 1196310593 /nfs/dbraw/zinc/31/05/93/1196310593.db2.gz CEBFNQQHWTWPTJ-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP C[C@]12C[NH+](C[C@@H]3CCC=CO3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001658860576 1196310594 /nfs/dbraw/zinc/31/05/94/1196310594.db2.gz CEBFNQQHWTWPTJ-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP C[C@]12C[NH+](C[C@@H]3CCC=CO3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001658860576 1196310599 /nfs/dbraw/zinc/31/05/99/1196310599.db2.gz CEBFNQQHWTWPTJ-AABGKKOBSA-N 2 1 312.457 3.133 20 0 DGADMP CCO[C@@H](C[NH2+][C@H](CC)Cc1ccc(Cl)cc1)C[NH+](C)C ZINC001658880087 1196313908 /nfs/dbraw/zinc/31/39/08/1196313908.db2.gz NJZSSDGEMQLEOZ-SJORKVTESA-N 2 1 312.885 3.217 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001659015908 1196332084 /nfs/dbraw/zinc/33/20/84/1196332084.db2.gz GTBNOJRVOIVNCM-LCLWPZTBSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001659015908 1196332088 /nfs/dbraw/zinc/33/20/88/1196332088.db2.gz GTBNOJRVOIVNCM-LCLWPZTBSA-N 2 1 318.505 3.284 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001659065596 1196339798 /nfs/dbraw/zinc/33/97/98/1196339798.db2.gz JEFXNWMDYNJLCI-OAHLLOKOSA-N 2 1 302.462 3.316 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001659156108 1196353542 /nfs/dbraw/zinc/35/35/42/1196353542.db2.gz VNDIEENLDUBPGQ-JKSUJKDBSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001659156108 1196353546 /nfs/dbraw/zinc/35/35/46/1196353546.db2.gz VNDIEENLDUBPGQ-JKSUJKDBSA-N 2 1 312.498 3.018 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001659270915 1196365485 /nfs/dbraw/zinc/36/54/85/1196365485.db2.gz JODXPRPUDQHRRW-BZSNNMDCSA-N 2 1 308.510 3.434 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001659270918 1196365637 /nfs/dbraw/zinc/36/56/37/1196365637.db2.gz JODXPRPUDQHRRW-RCCFBDPRSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001659341086 1196372717 /nfs/dbraw/zinc/37/27/17/1196372717.db2.gz IZECHEZPMSEWKP-MBOZVWFJSA-N 2 1 318.505 3.033 20 0 DGADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001659341086 1196372722 /nfs/dbraw/zinc/37/27/22/1196372722.db2.gz IZECHEZPMSEWKP-MBOZVWFJSA-N 2 1 318.505 3.033 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)CC1 ZINC001659707932 1196406869 /nfs/dbraw/zinc/40/68/69/1196406869.db2.gz REVGVNBZTNFQQI-LJQANCHMSA-N 2 1 314.473 3.175 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(C)c1OC(F)F ZINC000075780771 1196421227 /nfs/dbraw/zinc/42/12/27/1196421227.db2.gz CGEZJMWNCAKFPU-AWEZNQCLSA-N 2 1 324.415 3.479 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001660593307 1196501368 /nfs/dbraw/zinc/50/13/68/1196501368.db2.gz RQOSOUACYDTBAB-SJLPKXTDSA-N 2 1 307.441 3.322 20 0 DGADMP CC(C)(C[NH2+]C[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC001660768150 1196521637 /nfs/dbraw/zinc/52/16/37/1196521637.db2.gz ZIAWFEIWQQGTHJ-MRXNPFEDSA-N 2 1 302.462 3.407 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001660859337 1196535807 /nfs/dbraw/zinc/53/58/07/1196535807.db2.gz KKICJXSHZCTKRT-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCCn1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1 ZINC001660945895 1196545156 /nfs/dbraw/zinc/54/51/56/1196545156.db2.gz ZJHNCMBUGQYFRV-HZPDHXFCSA-N 2 1 306.498 3.059 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001661875289 1196655379 /nfs/dbraw/zinc/65/53/79/1196655379.db2.gz BRPGKMBXSJOKQF-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H](c2ccccc2)C1 ZINC001662724729 1196744291 /nfs/dbraw/zinc/74/42/91/1196744291.db2.gz VNPRLZWILABCOF-APWZRJJASA-N 2 1 316.395 3.400 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H](c2ccccc2)C1 ZINC001662724729 1196744296 /nfs/dbraw/zinc/74/42/96/1196744296.db2.gz VNPRLZWILABCOF-APWZRJJASA-N 2 1 316.395 3.400 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC001663484037 1196885397 /nfs/dbraw/zinc/88/53/97/1196885397.db2.gz QWTKINXXNZMQGU-SQWLQELKSA-N 2 1 323.278 3.187 20 0 DGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@H](COC)Cc1ccccc1 ZINC001663907302 1196956798 /nfs/dbraw/zinc/95/67/98/1196956798.db2.gz GJAFJGUJBJFKAA-FQEVSTJZSA-N 2 1 318.505 3.298 20 0 DGADMP C[C@H](Cc1ccno1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001664515120 1197008623 /nfs/dbraw/zinc/00/86/23/1197008623.db2.gz UYQUOUNIRUOCLC-VQIMIIECSA-N 2 1 313.445 3.107 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001664543375 1197012147 /nfs/dbraw/zinc/01/21/47/1197012147.db2.gz LDYIQIAYTJROPX-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001664543375 1197012152 /nfs/dbraw/zinc/01/21/52/1197012152.db2.gz LDYIQIAYTJROPX-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001664543375 1197012155 /nfs/dbraw/zinc/01/21/55/1197012155.db2.gz LDYIQIAYTJROPX-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCn1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(C)n1 ZINC001665509905 1197145916 /nfs/dbraw/zinc/14/59/16/1197145916.db2.gz FMDQEEYIYMEDPB-UHFFFAOYSA-N 2 1 320.525 3.401 20 0 DGADMP CC(C)CCNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001665920472 1197216550 /nfs/dbraw/zinc/21/65/50/1197216550.db2.gz GBRAVZQAIIWFKU-UHFFFAOYSA-N 2 1 312.461 3.445 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCc3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC001665937154 1197218027 /nfs/dbraw/zinc/21/80/27/1197218027.db2.gz NFWLTLRIZASWNY-MAZHCROVSA-N 2 1 313.272 3.466 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656487 1197703780 /nfs/dbraw/zinc/70/37/80/1197703780.db2.gz PHPWMUKBVVYFHF-KDOFPFPSSA-N 2 1 312.461 3.169 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656487 1197703781 /nfs/dbraw/zinc/70/37/81/1197703781.db2.gz PHPWMUKBVVYFHF-KDOFPFPSSA-N 2 1 312.461 3.169 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656486 1197704111 /nfs/dbraw/zinc/70/41/11/1197704111.db2.gz PHPWMUKBVVYFHF-KBXCAEBGSA-N 2 1 312.461 3.169 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656486 1197704115 /nfs/dbraw/zinc/70/41/15/1197704115.db2.gz PHPWMUKBVVYFHF-KBXCAEBGSA-N 2 1 312.461 3.169 20 0 DGADMP CCc1cc(NC[C@@H](c2ccccc2)[NH+](CC)CC)nc(C)[nH+]1 ZINC000390232916 1197712665 /nfs/dbraw/zinc/71/26/65/1197712665.db2.gz HTYSRKARIRUNOV-SFHVURJKSA-N 2 1 312.461 3.264 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000088687624 1197769622 /nfs/dbraw/zinc/76/96/22/1197769622.db2.gz NEUCQFGJNUAIHT-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000088687624 1197769624 /nfs/dbraw/zinc/76/96/24/1197769624.db2.gz NEUCQFGJNUAIHT-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000088687624 1197769627 /nfs/dbraw/zinc/76/96/27/1197769627.db2.gz NEUCQFGJNUAIHT-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000088687624 1197769630 /nfs/dbraw/zinc/76/96/30/1197769630.db2.gz NEUCQFGJNUAIHT-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000088687624 1197769633 /nfs/dbraw/zinc/76/96/33/1197769633.db2.gz NEUCQFGJNUAIHT-NLWGTHIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1F ZINC000093465462 1198693307 /nfs/dbraw/zinc/69/33/07/1198693307.db2.gz YRFSDSICBGUPTL-ZWNOBZJWSA-N 2 1 315.230 3.208 20 0 DGADMP C[N@H+](Cc1cc(F)ccc1Br)CC1CC[NH2+]CC1 ZINC000094024538 1198748119 /nfs/dbraw/zinc/74/81/19/1198748119.db2.gz COXWXUSICWCXIX-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000105457174 1199543068 /nfs/dbraw/zinc/54/30/68/1199543068.db2.gz DWUKZKQUQBVTEB-AWEZNQCLSA-N 2 1 318.490 3.348 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000113318022 1199666052 /nfs/dbraw/zinc/66/60/52/1199666052.db2.gz DXWKIXMQFXYOQC-UHFFFAOYSA-N 2 1 301.459 3.372 20 0 DGADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC[C@H]1O ZINC000304609964 1199669260 /nfs/dbraw/zinc/66/92/60/1199669260.db2.gz DUTJMFIPWAEHMG-WOJBJXKFSA-N 2 1 316.489 3.182 20 0 DGADMP CC[N@@H+](Cc1ccc(C)c(Br)c1)C1CC[NH2+]CC1 ZINC000313691478 1199772858 /nfs/dbraw/zinc/77/28/58/1199772858.db2.gz MKSMRVNRZFTEIR-UHFFFAOYSA-N 2 1 311.267 3.331 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C12CCCCC2 ZINC000315921959 1199811253 /nfs/dbraw/zinc/81/12/53/1199811253.db2.gz FLQGGQQBTYGUEJ-KZNAEPCWSA-N 2 1 308.510 3.434 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427111397 1199813002 /nfs/dbraw/zinc/81/30/02/1199813002.db2.gz ZKPOTQUUQIEBRY-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427111397 1199813005 /nfs/dbraw/zinc/81/30/05/1199813005.db2.gz ZKPOTQUUQIEBRY-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000120763439 1200170355 /nfs/dbraw/zinc/17/03/55/1200170355.db2.gz HJCBIMFIIQQYNX-HNNXBMFYSA-N 2 1 300.450 3.021 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc(OC)c1 ZINC000120800989 1200171893 /nfs/dbraw/zinc/17/18/93/1200171893.db2.gz IKYUTJLKMMOOBA-MRXNPFEDSA-N 2 1 320.477 3.161 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000120970199 1200187443 /nfs/dbraw/zinc/18/74/43/1200187443.db2.gz MJXCGOXJEJDGEP-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001690458894 1200573545 /nfs/dbraw/zinc/57/35/45/1200573545.db2.gz JAXBQMLCHKCJMZ-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001755026470 1200586236 /nfs/dbraw/zinc/58/62/36/1200586236.db2.gz QECZERQDFYTXLB-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000130530772 1201008617 /nfs/dbraw/zinc/00/86/17/1201008617.db2.gz SFFBLRHAIPWQGI-ZDUSSCGKSA-N 2 1 315.848 3.462 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000131096850 1201111892 /nfs/dbraw/zinc/11/18/92/1201111892.db2.gz ZXHFTNSAIHHAOH-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000152456127 1202594374 /nfs/dbraw/zinc/59/43/74/1202594374.db2.gz MPZVTEAVRUQSBD-LMCOJAPRSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000152456127 1202594375 /nfs/dbraw/zinc/59/43/75/1202594375.db2.gz MPZVTEAVRUQSBD-LMCOJAPRSA-N 2 1 315.505 3.284 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537245 1202594401 /nfs/dbraw/zinc/59/44/01/1202594401.db2.gz WTMVRKZGQKPMSB-ZCNNSNEGSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537245 1202594402 /nfs/dbraw/zinc/59/44/02/1202594402.db2.gz WTMVRKZGQKPMSB-ZCNNSNEGSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537245 1202594403 /nfs/dbraw/zinc/59/44/03/1202594403.db2.gz WTMVRKZGQKPMSB-ZCNNSNEGSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000228537245 1202594404 /nfs/dbraw/zinc/59/44/04/1202594404.db2.gz WTMVRKZGQKPMSB-ZCNNSNEGSA-N 2 1 316.489 3.134 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000155764196 1202599204 /nfs/dbraw/zinc/59/92/04/1202599204.db2.gz JHSNWQZUSBXKPW-HXUWFJFHSA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000155764196 1202599205 /nfs/dbraw/zinc/59/92/05/1202599205.db2.gz JHSNWQZUSBXKPW-HXUWFJFHSA-N 2 1 309.457 3.044 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000236599129 1202614404 /nfs/dbraw/zinc/61/44/04/1202614404.db2.gz WOBVIDCUJSZMMN-UHFFFAOYSA-N 2 1 315.505 3.113 20 0 DGADMP CCCC1CCC([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000236796209 1202625484 /nfs/dbraw/zinc/62/54/84/1202625484.db2.gz JCWIACIRLCFZPX-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000236958942 1202637758 /nfs/dbraw/zinc/63/77/58/1202637758.db2.gz UBAAUFVNOYNFSU-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC(C)C ZINC000237110718 1202647721 /nfs/dbraw/zinc/64/77/21/1202647721.db2.gz DHMCOEYNMSEZKK-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000237247710 1202662500 /nfs/dbraw/zinc/66/25/00/1202662500.db2.gz TUQYFZVWNNSGTR-AWEZNQCLSA-N 2 1 306.450 3.227 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000259016870 1203261088 /nfs/dbraw/zinc/26/10/88/1203261088.db2.gz NNOLBTKZJZEFKQ-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716777153 1203541288 /nfs/dbraw/zinc/54/12/88/1203541288.db2.gz ANIDOHPMIJXOOZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001725617888 1204181312 /nfs/dbraw/zinc/18/13/12/1204181312.db2.gz CWABTVHVKIPREL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731692978 1204507174 /nfs/dbraw/zinc/50/71/74/1204507174.db2.gz QFBBLCRRMATWAM-CVEARBPZSA-N 2 1 323.525 3.065 20 0 DGADMP CC(C)=CC[N@H+](CCNC(=O)CC[NH+](C)C)C1CCCCCC1 ZINC001733277271 1205079088 /nfs/dbraw/zinc/07/90/88/1205079088.db2.gz DWRRIENGPCWYME-UHFFFAOYSA-N 2 1 323.525 3.045 20 0 DGADMP CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001734249090 1205349192 /nfs/dbraw/zinc/34/91/92/1205349192.db2.gz CGZHHYSJTZWUOV-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001734465165 1205383366 /nfs/dbraw/zinc/38/33/66/1205383366.db2.gz ZKYKSOPEDVDARL-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164859238 720917085 /nfs/dbraw/zinc/91/70/85/720917085.db2.gz PINURSFDMXNGAM-OAHLLOKOSA-N 2 1 313.449 3.008 20 0 DGADMP Cc1cc[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164859238 720917090 /nfs/dbraw/zinc/91/70/90/720917090.db2.gz PINURSFDMXNGAM-OAHLLOKOSA-N 2 1 313.449 3.008 20 0 DGADMP COc1ccc2c(cc[nH+]c2N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164766292 721284154 /nfs/dbraw/zinc/28/41/54/721284154.db2.gz BYIZIUUJGCPTOM-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP COc1ccc2c(cc[nH+]c2N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164766292 721284160 /nfs/dbraw/zinc/28/41/60/721284160.db2.gz BYIZIUUJGCPTOM-UHFFFAOYSA-N 2 1 323.440 3.166 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206767462 1081613690 /nfs/dbraw/zinc/61/36/90/1081613690.db2.gz BPMWIMVOIJIZHV-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206767462 1081613693 /nfs/dbraw/zinc/61/36/93/1081613693.db2.gz BPMWIMVOIJIZHV-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001206013444 1081601094 /nfs/dbraw/zinc/60/10/94/1081601094.db2.gz RDUIZBIBUWPQFG-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP CC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603580 1081635658 /nfs/dbraw/zinc/63/56/58/1081635658.db2.gz FCUDWNIRSWBDAT-FUHWJXTLSA-N 2 1 304.478 3.290 20 0 DGADMP CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603580 1081635662 /nfs/dbraw/zinc/63/56/62/1081635662.db2.gz FCUDWNIRSWBDAT-FUHWJXTLSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603580 1081635665 /nfs/dbraw/zinc/63/56/65/1081635665.db2.gz FCUDWNIRSWBDAT-FUHWJXTLSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603580 1081635668 /nfs/dbraw/zinc/63/56/68/1081635668.db2.gz FCUDWNIRSWBDAT-FUHWJXTLSA-N 2 1 304.478 3.290 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3ccccc3OC(F)(F)F)C2)CC1 ZINC001204429572 1081654492 /nfs/dbraw/zinc/65/44/92/1081654492.db2.gz YPTXRFIKHOLKAS-UHFFFAOYSA-N 2 1 314.351 3.113 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266461810 1081858433 /nfs/dbraw/zinc/85/84/33/1081858433.db2.gz XCANLNZNJXMYCX-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266461810 1081858442 /nfs/dbraw/zinc/85/84/42/1081858442.db2.gz XCANLNZNJXMYCX-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP COCc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001648817043 1081931051 /nfs/dbraw/zinc/93/10/51/1081931051.db2.gz RXAJQVUFBZBRCD-KRWDZBQOSA-N 2 1 304.478 3.435 20 0 DGADMP CCc1ccc([C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC001170037953 1081946788 /nfs/dbraw/zinc/94/67/88/1081946788.db2.gz BMPXDWFHDWTQFS-PMACEKPBSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC001170037953 1081946792 /nfs/dbraw/zinc/94/67/92/1081946792.db2.gz BMPXDWFHDWTQFS-PMACEKPBSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001170037953 1081946798 /nfs/dbraw/zinc/94/67/98/1081946798.db2.gz BMPXDWFHDWTQFS-PMACEKPBSA-N 2 1 318.505 3.130 20 0 DGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019292 1081948952 /nfs/dbraw/zinc/94/89/52/1081948952.db2.gz PRCZNWXCILKYHS-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110019292 1081948956 /nfs/dbraw/zinc/94/89/56/1081948956.db2.gz PRCZNWXCILKYHS-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110019292 1081948960 /nfs/dbraw/zinc/94/89/60/1081948960.db2.gz PRCZNWXCILKYHS-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1C[N@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC001170137821 1082179977 /nfs/dbraw/zinc/17/99/77/1082179977.db2.gz PCGHDHZFUQTXMN-GJZGRUSLSA-N 2 1 304.482 3.072 20 0 DGADMP CC(C)n1nc(CN(C)C)c2c1CN([C@H]1CC[C@H](C)C1)CC2 ZINC001170137821 1082179987 /nfs/dbraw/zinc/17/99/87/1082179987.db2.gz PCGHDHZFUQTXMN-GJZGRUSLSA-N 2 1 304.482 3.072 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)C1 ZINC001170139730 1082183578 /nfs/dbraw/zinc/18/35/78/1082183578.db2.gz WMUMZYQZZNNIOY-UGUYLWEFSA-N 2 1 305.491 3.228 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239887 1082324828 /nfs/dbraw/zinc/32/48/28/1082324828.db2.gz NZLDDFDWYNABFH-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239887 1082324836 /nfs/dbraw/zinc/32/48/36/1082324836.db2.gz NZLDDFDWYNABFH-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239887 1082324839 /nfs/dbraw/zinc/32/48/39/1082324839.db2.gz NZLDDFDWYNABFH-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2ccccc2Cl)CC1 ZINC001170263190 1082330768 /nfs/dbraw/zinc/33/07/68/1082330768.db2.gz JLZJGFYOPWCOQG-CQSZACIVSA-N 2 1 310.869 3.101 20 0 DGADMP [NH3+]Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001170337656 1082354319 /nfs/dbraw/zinc/35/43/19/1082354319.db2.gz UYFBRIXZZURJFN-LDLYASANSA-N 2 1 322.456 3.148 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001170444923 1082460150 /nfs/dbraw/zinc/46/01/50/1082460150.db2.gz VOGRGWIKHSIYGD-KRWDZBQOSA-N 2 1 318.461 3.010 20 0 DGADMP COc1ccccc1[C@@H](O)C[N@H+](CC(C)(C)C[NH+](C)C)C(C)C ZINC001207282466 1082509005 /nfs/dbraw/zinc/50/90/05/1082509005.db2.gz KCUPMTOBNUUZPW-KRWDZBQOSA-N 2 1 322.493 3.027 20 0 DGADMP COc1ccccc1[C@@H](O)C[N@@H+](CC(C)(C)C[NH+](C)C)C(C)C ZINC001207282466 1082509013 /nfs/dbraw/zinc/50/90/13/1082509013.db2.gz KCUPMTOBNUUZPW-KRWDZBQOSA-N 2 1 322.493 3.027 20 0 DGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207287467 1082525594 /nfs/dbraw/zinc/52/55/94/1082525594.db2.gz FEAMQFHWTWDBIZ-INIZCTEOSA-N 2 1 320.477 3.028 20 0 DGADMP CCC/C=C/CC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815782 1082737980 /nfs/dbraw/zinc/73/79/80/1082737980.db2.gz TVQROLFXHUVXFW-AATRIKPKSA-N 2 1 323.525 3.093 20 0 DGADMP Cc1ccc(Br)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001140650273 1082745057 /nfs/dbraw/zinc/74/50/57/1082745057.db2.gz DEWVUBTWUOQKCI-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211759 1082840312 /nfs/dbraw/zinc/84/03/12/1082840312.db2.gz QZFMGXFQFKMCDV-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708546210 1082844093 /nfs/dbraw/zinc/84/40/93/1082844093.db2.gz UHNIVIXWECNRDV-PKOBYXMFSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708546210 1082844098 /nfs/dbraw/zinc/84/40/98/1082844098.db2.gz UHNIVIXWECNRDV-PKOBYXMFSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309707638 1082897271 /nfs/dbraw/zinc/89/72/71/1082897271.db2.gz IGWYGZHMKATMJD-NJAFHUGGSA-N 2 1 304.503 3.240 20 0 DGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132436190 1082910165 /nfs/dbraw/zinc/91/01/65/1082910165.db2.gz JOGHQLGIJLJBMH-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436190 1082910168 /nfs/dbraw/zinc/91/01/68/1082910168.db2.gz JOGHQLGIJLJBMH-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436190 1082910172 /nfs/dbraw/zinc/91/01/72/1082910172.db2.gz JOGHQLGIJLJBMH-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132491940 1082926054 /nfs/dbraw/zinc/92/60/54/1082926054.db2.gz ACBDDFJVPOUWGV-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+]CCN(c1ccc2[nH]c[nH+]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC001170629402 1082981613 /nfs/dbraw/zinc/98/16/13/1082981613.db2.gz FEBAQTKDXRDZSJ-UHFFFAOYSA-N 2 1 310.445 3.297 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170700252 1083172966 /nfs/dbraw/zinc/17/29/66/1083172966.db2.gz LMIVJRAFJVFIGK-MRXNPFEDSA-N 2 1 308.416 3.238 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170700252 1083172967 /nfs/dbraw/zinc/17/29/67/1083172967.db2.gz LMIVJRAFJVFIGK-MRXNPFEDSA-N 2 1 308.416 3.238 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170716606 1083222644 /nfs/dbraw/zinc/22/26/44/1083222644.db2.gz RJFVPEBSWUJFDC-INIZCTEOSA-N 2 1 310.432 3.486 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170716607 1083222669 /nfs/dbraw/zinc/22/26/69/1083222669.db2.gz RJFVPEBSWUJFDC-MRXNPFEDSA-N 2 1 310.432 3.486 20 0 DGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)C ZINC001134772824 1083329665 /nfs/dbraw/zinc/32/96/65/1083329665.db2.gz HXNCGIQNNARDLK-JKSUJKDBSA-N 2 1 313.530 3.026 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001207476474 1083340347 /nfs/dbraw/zinc/34/03/47/1083340347.db2.gz FLGHDOZZEHTXKR-UHFFFAOYSA-N 2 1 320.452 3.136 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207485613 1083502561 /nfs/dbraw/zinc/50/25/61/1083502561.db2.gz YIXSMYFNUSYXIH-GOSISDBHSA-N 2 1 302.462 3.180 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC(C)C ZINC001182424356 1083709996 /nfs/dbraw/zinc/70/99/96/1083709996.db2.gz SAOLGRTWZSBSHX-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC(C)C ZINC001182424356 1083710006 /nfs/dbraw/zinc/71/00/06/1083710006.db2.gz SAOLGRTWZSBSHX-RTBURBONSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001206549608 1083843832 /nfs/dbraw/zinc/84/38/32/1083843832.db2.gz PFZJOPAQCWFACX-GOSISDBHSA-N 2 1 305.466 3.221 20 0 DGADMP COCC[N@@H+](C[C@@H](C)c1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC001183256796 1083912862 /nfs/dbraw/zinc/91/28/62/1083912862.db2.gz RDADWRQLJBUPIY-GOSISDBHSA-N 2 1 318.505 3.389 20 0 DGADMP C[C@@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001183532583 1083971676 /nfs/dbraw/zinc/97/16/76/1083971676.db2.gz DZIKVSRFJWKAEG-OICCZTGUSA-N 2 1 311.404 3.445 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205280964 1084019934 /nfs/dbraw/zinc/01/99/34/1084019934.db2.gz NCYZPMONWZAEEA-CQSZACIVSA-N 2 1 302.340 3.114 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205280964 1084019939 /nfs/dbraw/zinc/01/99/39/1084019939.db2.gz NCYZPMONWZAEEA-CQSZACIVSA-N 2 1 302.340 3.114 20 0 DGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183825770 1084047939 /nfs/dbraw/zinc/04/79/39/1084047939.db2.gz CJSOHNLZPJNFJR-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(Br)c(Cl)cc1NC(=[NH2+])SCC[NH3+] ZINC001167913993 1084052956 /nfs/dbraw/zinc/05/29/56/1084052956.db2.gz HDBVHJOBOQUGJC-UHFFFAOYSA-N 2 1 322.659 3.449 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001167822121 1084092801 /nfs/dbraw/zinc/09/28/01/1084092801.db2.gz FZRJFECLCHRIKH-QGZVFWFLSA-N 2 1 318.509 3.152 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001167827848 1084125882 /nfs/dbraw/zinc/12/58/82/1084125882.db2.gz YICIQQGUCTXOOZ-PKOBYXMFSA-N 2 1 319.493 3.435 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001167834153 1084149501 /nfs/dbraw/zinc/14/95/01/1084149501.db2.gz IHYGXAOZXQXNCG-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CCOC(=O)C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1CCCC1 ZINC001167834896 1084153641 /nfs/dbraw/zinc/15/36/41/1084153641.db2.gz NPIWBBVRTPRTOC-INIZCTEOSA-N 2 1 312.498 3.305 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001167837929 1084163192 /nfs/dbraw/zinc/16/31/92/1084163192.db2.gz OBVPKHOZWDWYEC-OAHLLOKOSA-N 2 1 316.493 3.223 20 0 DGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184389230 1084170427 /nfs/dbraw/zinc/17/04/27/1084170427.db2.gz WMIKEFZTEVUEDH-VKSDOSABSA-N 2 1 311.473 3.419 20 0 DGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184608757 1084224652 /nfs/dbraw/zinc/22/46/52/1084224652.db2.gz CORQRUUSMUTEAN-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205303176 1084226328 /nfs/dbraw/zinc/22/63/28/1084226328.db2.gz AMLUHDLXPRMDOK-GXTWGEPZSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205303176 1084226339 /nfs/dbraw/zinc/22/63/39/1084226339.db2.gz AMLUHDLXPRMDOK-GXTWGEPZSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205303177 1084226368 /nfs/dbraw/zinc/22/63/68/1084226368.db2.gz AMLUHDLXPRMDOK-JSGCOSHPSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205303177 1084226377 /nfs/dbraw/zinc/22/63/77/1084226377.db2.gz AMLUHDLXPRMDOK-JSGCOSHPSA-N 2 1 300.368 3.431 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692920314 1084285785 /nfs/dbraw/zinc/28/57/85/1084285785.db2.gz DPHKKYZJTRSSSQ-KBPBESRZSA-N 2 1 305.293 3.282 20 0 DGADMP [NH3+]Cc1c(F)cccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960802 1085686962 /nfs/dbraw/zinc/68/69/62/1085686962.db2.gz DGRYSXATHNDGNI-GOOCMWNKSA-N 2 1 303.425 3.102 20 0 DGADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167961277 1085705321 /nfs/dbraw/zinc/70/53/21/1085705321.db2.gz HDILAVSTFMPJJL-NXEWRWPSSA-N 2 1 314.473 3.105 20 0 DGADMP Fc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167961472 1085711100 /nfs/dbraw/zinc/71/11/00/1085711100.db2.gz LOLBZJCTPOQHNI-AYHJJNSGSA-N 2 1 318.436 3.200 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(O)cc1 ZINC001167965704 1085857127 /nfs/dbraw/zinc/85/71/27/1085857127.db2.gz LJWCBJONCNJPLP-DXJOGWAWSA-N 2 1 300.446 3.448 20 0 DGADMP C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)CC[NH+]1CCCC1 ZINC001167967543 1085890527 /nfs/dbraw/zinc/89/05/27/1085890527.db2.gz GXBBTZLWCJFNIG-IHWFROFDSA-N 3 1 319.537 3.248 20 0 DGADMP Cc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167969065 1085900210 /nfs/dbraw/zinc/90/02/10/1085900210.db2.gz ZAGVFIRZRGNCMO-IHWFROFDSA-N 2 1 313.489 3.318 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005105 1086141939 /nfs/dbraw/zinc/14/19/39/1086141939.db2.gz FWXZMPCGLRKOTO-IZZQQSIFSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012420 1086242501 /nfs/dbraw/zinc/24/25/01/1086242501.db2.gz ZTIFSMRKLHKJKF-IZZQQSIFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1CC(NC[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015103 1086280596 /nfs/dbraw/zinc/28/05/96/1086280596.db2.gz OSMOGMPUWJQLRQ-ZWOKBUDYSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1CC([NH2+]C[C@@H]2CCCN2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015103 1086280608 /nfs/dbraw/zinc/28/06/08/1086280608.db2.gz OSMOGMPUWJQLRQ-ZWOKBUDYSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](Nc2ccc(C[NH3+])nc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028850 1086448786 /nfs/dbraw/zinc/44/87/86/1086448786.db2.gz RAWNVALGTPADAD-CWPLJXCYSA-N 2 1 324.472 3.394 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CO)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168039180 1086496639 /nfs/dbraw/zinc/49/66/39/1086496639.db2.gz BYLLFYJYOXBMBA-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039180 1086496644 /nfs/dbraw/zinc/49/66/44/1086496644.db2.gz BYLLFYJYOXBMBA-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039180 1086496649 /nfs/dbraw/zinc/49/66/49/1086496649.db2.gz BYLLFYJYOXBMBA-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039180 1086496655 /nfs/dbraw/zinc/49/66/55/1086496655.db2.gz BYLLFYJYOXBMBA-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039180 1086496660 /nfs/dbraw/zinc/49/66/60/1086496660.db2.gz BYLLFYJYOXBMBA-HNJRGHQBSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[N@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1O ZINC001168041026 1086503898 /nfs/dbraw/zinc/50/38/98/1086503898.db2.gz QHXULLDUPGIZCH-YLAKUSLOSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1O ZINC001168041026 1086503904 /nfs/dbraw/zinc/50/39/04/1086503904.db2.gz QHXULLDUPGIZCH-YLAKUSLOSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1O ZINC001168041026 1086503909 /nfs/dbraw/zinc/50/39/09/1086503909.db2.gz QHXULLDUPGIZCH-YLAKUSLOSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042045 1086512477 /nfs/dbraw/zinc/51/24/77/1086512477.db2.gz YFSDPZQSOARNEZ-FAJBIJEISA-N 2 1 316.489 3.273 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042045 1086512482 /nfs/dbraw/zinc/51/24/82/1086512482.db2.gz YFSDPZQSOARNEZ-FAJBIJEISA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3OCC[C@H]32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168049232 1086573175 /nfs/dbraw/zinc/57/31/75/1086573175.db2.gz ZHOPQQVXSOVWFU-QQXMDYFESA-N 2 1 314.473 3.291 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3OCC[C@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168049232 1086573181 /nfs/dbraw/zinc/57/31/81/1086573181.db2.gz ZHOPQQVXSOVWFU-QQXMDYFESA-N 2 1 314.473 3.291 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3OCC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168049232 1086573185 /nfs/dbraw/zinc/57/31/85/1086573185.db2.gz ZHOPQQVXSOVWFU-QQXMDYFESA-N 2 1 314.473 3.291 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168049232 1086573192 /nfs/dbraw/zinc/57/31/92/1086573192.db2.gz ZHOPQQVXSOVWFU-QQXMDYFESA-N 2 1 314.473 3.291 20 0 DGADMP CC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056612 1086626375 /nfs/dbraw/zinc/62/63/75/1086626375.db2.gz GQVYCQSWIZJFIY-WOUAJJJCSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1C[C@@H](N2CC(C)([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063208 1086646910 /nfs/dbraw/zinc/64/69/10/1086646910.db2.gz MJWSRCYGYGORQD-IZZQQSIFSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168091851 1086831287 /nfs/dbraw/zinc/83/12/87/1086831287.db2.gz BXPIGMAKYSKSIU-NXWXRZEISA-N 2 1 302.462 3.326 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@H+](Cc1ccccc1)C[C@H](C)C[NH3+])C2 ZINC001168242663 1087069347 /nfs/dbraw/zinc/06/93/47/1087069347.db2.gz DSLKDPZRDVYQHF-UZLBHIALSA-N 2 1 324.468 3.259 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252393 1087073721 /nfs/dbraw/zinc/07/37/21/1087073721.db2.gz PLESOSPCFPXNOR-BHIYHBOVSA-N 2 1 314.473 3.287 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001168260265 1087077784 /nfs/dbraw/zinc/07/77/84/1087077784.db2.gz MOUBGXGLRHCSSA-IBGZPJMESA-N 2 1 314.473 3.113 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC12CCOCC2 ZINC001168276544 1087233974 /nfs/dbraw/zinc/23/39/74/1087233974.db2.gz UNJUZWSUKQTLCO-QGZVFWFLSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC12CCOCC2 ZINC001168276544 1087233976 /nfs/dbraw/zinc/23/39/76/1087233976.db2.gz UNJUZWSUKQTLCO-QGZVFWFLSA-N 2 1 305.466 3.110 20 0 DGADMP CC(C)[N@@H+](CC(=O)c1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168327383 1087295705 /nfs/dbraw/zinc/29/57/05/1087295705.db2.gz LIEPTJAGQREVME-UHFFFAOYSA-N 2 1 302.462 3.453 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](C3CCC([NH+](C)C)CC3)C2)cc1 ZINC001168329471 1087296096 /nfs/dbraw/zinc/29/60/96/1087296096.db2.gz VLIXZAPBNQBBGE-AOCRQIFASA-N 2 1 302.462 3.357 20 0 DGADMP Cc1cc(F)ccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145220 1087540014 /nfs/dbraw/zinc/54/00/14/1087540014.db2.gz OQMKSBPMHNZRDG-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP COc1cc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc(OC)c1 ZINC001168380917 1087542190 /nfs/dbraw/zinc/54/21/90/1087542190.db2.gz VIVCASMLJBBIOL-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP COc1cc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc(OC)c1 ZINC001168380917 1087542194 /nfs/dbraw/zinc/54/21/94/1087542194.db2.gz VIVCASMLJBBIOL-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168389414 1087548405 /nfs/dbraw/zinc/54/84/05/1087548405.db2.gz OYTAFVPRUPUDDE-MRXNPFEDSA-N 2 1 316.489 3.432 20 0 DGADMP C[C@H]1CN(C2CC[NH+](CC3CC3)CC2)CC[N@H+]1C1CCCCC1 ZINC001168396744 1087552611 /nfs/dbraw/zinc/55/26/11/1087552611.db2.gz IPNLSSJKEJJJCB-KRWDZBQOSA-N 2 1 319.537 3.200 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205094230 1087783417 /nfs/dbraw/zinc/78/34/17/1087783417.db2.gz KNODEALXXXLZAG-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc([C@@H](C)[NH3+])n2)nc1 ZINC001158354592 1087786932 /nfs/dbraw/zinc/78/69/32/1087786932.db2.gz BVBLRCKSFQBOLR-RHSMWYFYSA-N 2 1 313.449 3.224 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001168464467 1087877875 /nfs/dbraw/zinc/87/78/75/1087877875.db2.gz GSNOBCCRXGLQIH-HNNXBMFYSA-N 3 1 323.500 3.232 20 0 DGADMP C[C@@]1(C[NH3+])CCCN(c2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001158678058 1087972918 /nfs/dbraw/zinc/97/29/18/1087972918.db2.gz AUJJPILRSHOEEE-SFHVURJKSA-N 2 1 313.449 3.112 20 0 DGADMP C[C@]1(C[NH3+])CCCN(c2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001158678057 1087973219 /nfs/dbraw/zinc/97/32/19/1087973219.db2.gz AUJJPILRSHOEEE-GOSISDBHSA-N 2 1 313.449 3.112 20 0 DGADMP COc1cc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2cc1F ZINC001158833471 1088058878 /nfs/dbraw/zinc/05/88/78/1088058878.db2.gz SFXSYXNUPRJHPV-UHFFFAOYSA-N 2 1 315.392 3.280 20 0 DGADMP c1cnc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001159346850 1088308294 /nfs/dbraw/zinc/30/82/94/1088308294.db2.gz DXVABEYKMVTZPK-MRXNPFEDSA-N 2 1 306.369 3.114 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206649100 1088327761 /nfs/dbraw/zinc/32/77/61/1088327761.db2.gz QIFPKHYDNJNJSL-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP c1ccc(C[N@H+]2Cc3ccc(NC4=CCC[NH2+]C4)cc3C2)cc1 ZINC001159511009 1088373485 /nfs/dbraw/zinc/37/34/85/1088373485.db2.gz UJLNDASQUBSKFB-UHFFFAOYSA-N 2 1 305.425 3.492 20 0 DGADMP [NH3+][C@@H]1Cc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2C1 ZINC001159827093 1088508642 /nfs/dbraw/zinc/50/86/42/1088508642.db2.gz LJRRCDIFINOFPL-LJQANCHMSA-N 2 1 319.452 3.314 20 0 DGADMP CCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159916295 1088545876 /nfs/dbraw/zinc/54/58/76/1088545876.db2.gz QORDURZARMOCFR-GOSISDBHSA-N 2 1 323.525 3.070 20 0 DGADMP c1[nH]c2ccc(Nc3ccc(O[C@@H]4CCC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159948084 1088565073 /nfs/dbraw/zinc/56/50/73/1088565073.db2.gz CTCOFDCLZBUFNP-MRXNPFEDSA-N 2 1 308.385 3.437 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC[C@@H]2CCCC[NH2+]2)nc1 ZINC001160150626 1088672423 /nfs/dbraw/zinc/67/24/23/1088672423.db2.gz KDSRSKMFWUWTMS-IRXDYDNUSA-N 2 1 302.466 3.183 20 0 DGADMP [NH3+]Cc1ccc(Nc2[nH+]c(N3CCCC3)cc3ccccc32)cn1 ZINC001160405707 1088789546 /nfs/dbraw/zinc/78/95/46/1088789546.db2.gz LBTGOSCIJYWSMU-UHFFFAOYSA-N 2 1 319.412 3.432 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155267728 1089034760 /nfs/dbraw/zinc/03/47/60/1089034760.db2.gz DIMKGKDKDSHOJZ-UHFFFAOYSA-N 2 1 321.428 3.270 20 0 DGADMP COc1cc2c[nH+]c(NCC[C@H]3CCC[N@@H+]3C)cc2cc1OC ZINC001160970673 1089051248 /nfs/dbraw/zinc/05/12/48/1089051248.db2.gz NXHKEDGXKZLZBF-OAHLLOKOSA-N 2 1 315.417 3.148 20 0 DGADMP COc1cc2c[nH+]c(NCC[C@H]3CCC[N@H+]3C)cc2cc1OC ZINC001160970673 1089051272 /nfs/dbraw/zinc/05/12/72/1089051272.db2.gz NXHKEDGXKZLZBF-OAHLLOKOSA-N 2 1 315.417 3.148 20 0 DGADMP Oc1ccc(C[NH+]2CCC(Nc3ccc4c([nH+]3)CCC4)CC2)cc1 ZINC001161131900 1089129994 /nfs/dbraw/zinc/12/99/94/1089129994.db2.gz SVAYDUXHBGUXOZ-UHFFFAOYSA-N 2 1 323.440 3.352 20 0 DGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001155599253 1089180593 /nfs/dbraw/zinc/18/05/93/1089180593.db2.gz SCYILOMBQLYYIU-DNVCBOLYSA-N 2 1 311.429 3.114 20 0 DGADMP Cc1[nH]c2nc[nH+]c(N3CCC([NH3+])(CC4CCC4)CC3)c2c1C ZINC001161571312 1089292326 /nfs/dbraw/zinc/29/23/26/1089292326.db2.gz GNWLAWBBWPLOEJ-UHFFFAOYSA-N 2 1 313.449 3.063 20 0 DGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156517317 1089562031 /nfs/dbraw/zinc/56/20/31/1089562031.db2.gz STNNPSVINMJALH-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156517317 1089562047 /nfs/dbraw/zinc/56/20/47/1089562047.db2.gz STNNPSVINMJALH-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156517317 1089562055 /nfs/dbraw/zinc/56/20/55/1089562055.db2.gz STNNPSVINMJALH-QGZVFWFLSA-N 2 1 313.530 3.125 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2C[C@@](C)([NH3+])C2)nc1 ZINC001162330553 1089675269 /nfs/dbraw/zinc/67/52/69/1089675269.db2.gz GPBBVYZSSDBLBE-XYJFISCASA-N 2 1 302.466 3.310 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001162470062 1089751182 /nfs/dbraw/zinc/75/11/82/1089751182.db2.gz HRCDOOJYSJZZJO-NJAFHUGGSA-N 2 1 301.478 3.153 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)nc1 ZINC001162847576 1089991571 /nfs/dbraw/zinc/99/15/71/1089991571.db2.gz UDMQSONLASRHMR-ROUUACIJSA-N 2 1 322.456 3.260 20 0 DGADMP CCCC(C[NH3+])(CCC)Nc1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001163039989 1090060790 /nfs/dbraw/zinc/06/07/90/1090060790.db2.gz DAOBRLOCBKSRJL-UHFFFAOYSA-N 2 1 304.482 3.385 20 0 DGADMP CCC[N@H+]1C[C@H]2CN(c3cc4cc(OC)ccc4c[nH+]3)C[C@H]2C1 ZINC001157693216 1090078425 /nfs/dbraw/zinc/07/84/25/1090078425.db2.gz XMLWVEBADUJREH-CALCHBBNSA-N 2 1 311.429 3.021 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(c3cc4cc(OC)ccc4c[nH+]3)C[C@H]2C1 ZINC001157693216 1090078440 /nfs/dbraw/zinc/07/84/40/1090078440.db2.gz XMLWVEBADUJREH-CALCHBBNSA-N 2 1 311.429 3.021 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C)C3CC3)cn2)[C@H](C)C1 ZINC001163368704 1090166465 /nfs/dbraw/zinc/16/64/65/1090166465.db2.gz BCVGHPSRTJEKCO-CRAIPNDOSA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@@H](Nc2ccc(C[N@H+](C)C3CC3)cn2)[C@H](C)C1 ZINC001163368704 1090166468 /nfs/dbraw/zinc/16/64/68/1090166468.db2.gz BCVGHPSRTJEKCO-CRAIPNDOSA-N 2 1 316.493 3.207 20 0 DGADMP CC(C)[NH+]1CC[C@@H](Nc2ccc(C[N@@H+](C)C3CC3)cn2)[C@H](C)C1 ZINC001163368704 1090166471 /nfs/dbraw/zinc/16/64/71/1090166471.db2.gz BCVGHPSRTJEKCO-CRAIPNDOSA-N 2 1 316.493 3.207 20 0 DGADMP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)c2ccc3c([nH+]2)CCC3)CC1 ZINC001158166048 1090195177 /nfs/dbraw/zinc/19/51/77/1090195177.db2.gz AQIGGLDJNZPFJJ-IYARVYRRSA-N 2 1 322.456 3.242 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc1 ZINC001158186224 1090198171 /nfs/dbraw/zinc/19/81/71/1090198171.db2.gz PQWSZMSRMKWZOE-SOLBZPMBSA-N 2 1 316.493 3.205 20 0 DGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)[nH+]1 ZINC001163672233 1090228785 /nfs/dbraw/zinc/22/87/85/1090228785.db2.gz LEHYLSNMXIABNG-GOSISDBHSA-N 2 1 306.413 3.364 20 0 DGADMP c1[nH]c2ccc(NCc3cccnc3C3CC[NH2+]CC3)cc2[nH+]1 ZINC001163915295 1090285719 /nfs/dbraw/zinc/28/57/19/1090285719.db2.gz VQCFFIHEKUTJNB-UHFFFAOYSA-N 2 1 307.401 3.037 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)CC[C@H]2C[NH3+])nc1 ZINC001164078081 1090335313 /nfs/dbraw/zinc/33/53/13/1090335313.db2.gz MGYXOAVTLUIEQA-BPQIPLTHSA-N 2 1 316.493 3.192 20 0 DGADMP CCCOc1ccc(C)c(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164217570 1090375039 /nfs/dbraw/zinc/37/50/39/1090375039.db2.gz XWPPBCDJXZROAU-UHFFFAOYSA-N 2 1 319.493 3.222 20 0 DGADMP C[NH+](C)C1(CNc2cccc(C3CCC3)c2)CC[NH+](C)CC1 ZINC001164216504 1090375152 /nfs/dbraw/zinc/37/51/52/1090375152.db2.gz FBLDFKXGCKGKAE-UHFFFAOYSA-N 2 1 301.478 3.392 20 0 DGADMP Cc1c(N)cc[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001164486258 1090431469 /nfs/dbraw/zinc/43/14/69/1090431469.db2.gz MKMWDBWBLRFNFC-ZHALLVOQSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1cc(C)nc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001165085123 1090462077 /nfs/dbraw/zinc/46/20/77/1090462077.db2.gz LQJWVNSEDVIOED-OALUTQOASA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001165085123 1090462079 /nfs/dbraw/zinc/46/20/79/1090462079.db2.gz LQJWVNSEDVIOED-OALUTQOASA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001165085123 1090462082 /nfs/dbraw/zinc/46/20/82/1090462082.db2.gz LQJWVNSEDVIOED-OALUTQOASA-N 2 1 307.441 3.409 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000691313784 1090469740 /nfs/dbraw/zinc/46/97/40/1090469740.db2.gz BRKSBHCPPYYDOW-XUVXKRRUSA-N 2 1 314.473 3.056 20 0 DGADMP Cc1c[nH+]c(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1N ZINC001165202143 1090480088 /nfs/dbraw/zinc/48/00/88/1090480088.db2.gz LFLSQQRMAVZFGX-HOTGVXAUSA-N 2 1 310.445 3.071 20 0 DGADMP C[C@@H]1CN(c2cc(N(C)C)cc[nH+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165203547 1090480325 /nfs/dbraw/zinc/48/03/25/1090480325.db2.gz YIBKZIZHTNFLSG-SJORKVTESA-N 2 1 324.472 3.247 20 0 DGADMP Cc1c[nH+]c(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1N ZINC001165202144 1090480347 /nfs/dbraw/zinc/48/03/47/1090480347.db2.gz LFLSQQRMAVZFGX-JKSUJKDBSA-N 2 1 310.445 3.071 20 0 DGADMP C[N@@H+]1CCC[C@@H](CCNc2[nH+]cccc2C2CCOCC2)C1 ZINC001165272756 1090494213 /nfs/dbraw/zinc/49/42/13/1090494213.db2.gz KUMYZAAOJNSWMS-HNNXBMFYSA-N 2 1 303.450 3.119 20 0 DGADMP C[N@H+]1CCC[C@@H](CCNc2[nH+]cccc2C2CCOCC2)C1 ZINC001165272756 1090494214 /nfs/dbraw/zinc/49/42/14/1090494214.db2.gz KUMYZAAOJNSWMS-HNNXBMFYSA-N 2 1 303.450 3.119 20 0 DGADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C)C3CCC([NH3+])CC3)CCO2)cc1 ZINC001168594377 1090594928 /nfs/dbraw/zinc/59/49/28/1090594928.db2.gz GTRLCRYFHZRTQW-WXVPWVKJSA-N 2 1 318.461 3.117 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(OCC(F)(F)F)cc[nH+]1 ZINC001168602468 1090599026 /nfs/dbraw/zinc/59/90/26/1090599026.db2.gz OLCYJZDGONJLRE-STQMWFEESA-N 2 1 317.355 3.307 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001168602665 1090600240 /nfs/dbraw/zinc/60/02/40/1090600240.db2.gz UHYXRTIPORMSCG-WDSOQIARSA-N 2 1 301.478 3.390 20 0 DGADMP Cn1cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001203270457 1090710265 /nfs/dbraw/zinc/71/02/65/1090710265.db2.gz DEYZIGHPSHXVMO-UXHICEINSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203270457 1090710270 /nfs/dbraw/zinc/71/02/70/1090710270.db2.gz DEYZIGHPSHXVMO-UXHICEINSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203270457 1090710276 /nfs/dbraw/zinc/71/02/76/1090710276.db2.gz DEYZIGHPSHXVMO-UXHICEINSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203270459 1090710660 /nfs/dbraw/zinc/71/06/60/1090710660.db2.gz DEYZIGHPSHXVMO-VQTJNVASSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203270459 1090710664 /nfs/dbraw/zinc/71/06/64/1090710664.db2.gz DEYZIGHPSHXVMO-VQTJNVASSA-N 2 1 323.484 3.369 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203270459 1090710671 /nfs/dbraw/zinc/71/06/71/1090710671.db2.gz DEYZIGHPSHXVMO-VQTJNVASSA-N 2 1 323.484 3.369 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)c12 ZINC001203407607 1090730664 /nfs/dbraw/zinc/73/06/64/1090730664.db2.gz BZLFIUDBBLMPBR-KRWDZBQOSA-N 2 1 312.461 3.450 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)c12 ZINC001203407607 1090730667 /nfs/dbraw/zinc/73/06/67/1090730667.db2.gz BZLFIUDBBLMPBR-KRWDZBQOSA-N 2 1 312.461 3.450 20 0 DGADMP Cc1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001203704492 1090785710 /nfs/dbraw/zinc/78/57/10/1090785710.db2.gz LWVHKSVVFKRWSZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203704492 1090785714 /nfs/dbraw/zinc/78/57/14/1090785714.db2.gz LWVHKSVVFKRWSZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203704492 1090785719 /nfs/dbraw/zinc/78/57/19/1090785719.db2.gz LWVHKSVVFKRWSZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203704492 1090785723 /nfs/dbraw/zinc/78/57/23/1090785723.db2.gz LWVHKSVVFKRWSZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203704492 1090785726 /nfs/dbraw/zinc/78/57/26/1090785726.db2.gz LWVHKSVVFKRWSZ-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001203749413 1090796347 /nfs/dbraw/zinc/79/63/47/1090796347.db2.gz DOYHOQRIRKQJTD-FQEVSTJZSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001203749413 1090796352 /nfs/dbraw/zinc/79/63/52/1090796352.db2.gz DOYHOQRIRKQJTD-FQEVSTJZSA-N 2 1 316.489 3.379 20 0 DGADMP CCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001486477863 1090852188 /nfs/dbraw/zinc/85/21/88/1090852188.db2.gz FOUIBUOUCPPLCS-DAWZGUTISA-N 2 1 323.525 3.019 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276433563 1090861026 /nfs/dbraw/zinc/86/10/26/1090861026.db2.gz NGDHQVDWGBLWMR-SFHVURJKSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004917 1090865953 /nfs/dbraw/zinc/86/59/53/1090865953.db2.gz IYQHQQGMCQZWGA-PWIZWCRZSA-N 2 1 324.472 3.142 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004917 1090865956 /nfs/dbraw/zinc/86/59/56/1090865956.db2.gz IYQHQQGMCQZWGA-PWIZWCRZSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004917 1090865964 /nfs/dbraw/zinc/86/59/64/1090865964.db2.gz IYQHQQGMCQZWGA-PWIZWCRZSA-N 2 1 324.472 3.142 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001204004917 1090865970 /nfs/dbraw/zinc/86/59/70/1090865970.db2.gz IYQHQQGMCQZWGA-PWIZWCRZSA-N 2 1 324.472 3.142 20 0 DGADMP c1cnn(CCC[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001276450369 1090932876 /nfs/dbraw/zinc/93/28/76/1090932876.db2.gz FIYAPZQHVXULAQ-IBGZPJMESA-N 2 1 316.493 3.004 20 0 DGADMP c1cnn(CCC[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001276450369 1090932878 /nfs/dbraw/zinc/93/28/78/1090932878.db2.gz FIYAPZQHVXULAQ-IBGZPJMESA-N 2 1 316.493 3.004 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC001204268662 1090937547 /nfs/dbraw/zinc/93/75/47/1090937547.db2.gz MJLQFPBFDOPWMI-QGZVFWFLSA-N 2 1 308.441 3.199 20 0 DGADMP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704168 1090958304 /nfs/dbraw/zinc/95/83/04/1090958304.db2.gz FJDDOGBUXHAYEH-OAHLLOKOSA-N 2 1 304.865 3.401 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470434 1090989356 /nfs/dbraw/zinc/98/93/56/1090989356.db2.gz LQFIBNFPZDQQCJ-FUHWJXTLSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@@H](C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276470434 1090989359 /nfs/dbraw/zinc/98/93/59/1090989359.db2.gz LQFIBNFPZDQQCJ-FUHWJXTLSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470434 1090989363 /nfs/dbraw/zinc/98/93/63/1090989363.db2.gz LQFIBNFPZDQQCJ-FUHWJXTLSA-N 2 1 321.534 3.444 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276470434 1090989366 /nfs/dbraw/zinc/98/93/66/1090989366.db2.gz LQFIBNFPZDQQCJ-FUHWJXTLSA-N 2 1 321.534 3.444 20 0 DGADMP Cc1nc[nH]c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001204588233 1091003585 /nfs/dbraw/zinc/00/35/85/1091003585.db2.gz FHDWHBBHTQPVEZ-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP COc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204741884 1091027070 /nfs/dbraw/zinc/02/70/70/1091027070.db2.gz DTHFXCUWSZWXGY-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP c1cc2n(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]2c1ccccc1 ZINC001204878120 1091053906 /nfs/dbraw/zinc/05/39/06/1091053906.db2.gz YAHUXCLAPIMCNX-XLIONFOSSA-N 2 1 309.457 3.283 20 0 DGADMP Cc1ccc(F)c(C[NH+]2CCC(C[NH3+])CC2)c1Br ZINC001205052796 1091057868 /nfs/dbraw/zinc/05/78/68/1091057868.db2.gz FBPGVJAISUKOLA-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893894 1091057843 /nfs/dbraw/zinc/05/78/43/1091057843.db2.gz OXQWCZUPNTWVSY-HNNXBMFYSA-N 2 1 316.342 3.372 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)cc1 ZINC001204918632 1091062663 /nfs/dbraw/zinc/06/26/63/1091062663.db2.gz JHUHHADCRYOXKA-LDLYASANSA-N 2 1 302.462 3.282 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205008565 1091082383 /nfs/dbraw/zinc/08/23/83/1091082383.db2.gz CXSVMAUFJPQPSL-MRXNPFEDSA-N 2 1 318.461 3.073 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205008565 1091082390 /nfs/dbraw/zinc/08/23/90/1091082390.db2.gz CXSVMAUFJPQPSL-MRXNPFEDSA-N 2 1 318.461 3.073 20 0 DGADMP CCOc1c(Cl)ccc(C[NH+]2CCC(C[NH3+])CC2)c1F ZINC001205047274 1091090681 /nfs/dbraw/zinc/09/06/81/1091090681.db2.gz TUPNNQJUCPKIIO-UHFFFAOYSA-N 2 1 300.805 3.049 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205082677 1091098315 /nfs/dbraw/zinc/09/83/15/1091098315.db2.gz HXPHDZGYUIOMLJ-YOEHRIQHSA-N 2 1 306.450 3.070 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205082677 1091098320 /nfs/dbraw/zinc/09/83/20/1091098320.db2.gz HXPHDZGYUIOMLJ-YOEHRIQHSA-N 2 1 306.450 3.070 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cccc(C)c2C)CC1 ZINC001205088868 1091099132 /nfs/dbraw/zinc/09/91/32/1091099132.db2.gz LELFSAGPCFPKIU-FQEVSTJZSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC001205088868 1091099136 /nfs/dbraw/zinc/09/91/36/1091099136.db2.gz LELFSAGPCFPKIU-FQEVSTJZSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC001205088868 1091099142 /nfs/dbraw/zinc/09/91/42/1091099142.db2.gz LELFSAGPCFPKIU-FQEVSTJZSA-N 2 1 316.489 3.379 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001205102395 1091103223 /nfs/dbraw/zinc/10/32/23/1091103223.db2.gz RHGJENJJBONARK-AWEZNQCLSA-N 2 1 305.422 3.262 20 0 DGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205212300 1091132062 /nfs/dbraw/zinc/13/20/62/1091132062.db2.gz YIEPLCPBIJABLF-FXAWDEMLSA-N 2 1 318.505 3.164 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001205221733 1091137178 /nfs/dbraw/zinc/13/71/78/1091137178.db2.gz XITKOUMFMPSFIZ-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP Cc1csc2sc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c(C)c12 ZINC001205241127 1091144391 /nfs/dbraw/zinc/14/43/91/1091144391.db2.gz QKRKSBKRVMPVPV-MRXNPFEDSA-N 2 1 324.515 3.255 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC001205256120 1091151237 /nfs/dbraw/zinc/15/12/37/1091151237.db2.gz NHUZLTYWVAOARJ-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280761 1091162227 /nfs/dbraw/zinc/16/22/27/1091162227.db2.gz IFYJLOAAPHIBIV-IBGZPJMESA-N 2 1 310.445 3.155 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281339 1091164013 /nfs/dbraw/zinc/16/40/13/1091164013.db2.gz STHLJYLBBLYAPH-GOSISDBHSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281339 1091164018 /nfs/dbraw/zinc/16/40/18/1091164018.db2.gz STHLJYLBBLYAPH-GOSISDBHSA-N 2 1 306.450 3.186 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281804 1091164520 /nfs/dbraw/zinc/16/45/20/1091164520.db2.gz YJNMAFRIVXJFRZ-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281804 1091164524 /nfs/dbraw/zinc/16/45/24/1091164524.db2.gz YJNMAFRIVXJFRZ-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205287671 1091165823 /nfs/dbraw/zinc/16/58/23/1091165823.db2.gz ALLASQNGRZKSTL-LJQANCHMSA-N 2 1 317.477 3.375 20 0 DGADMP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205287668 1091165953 /nfs/dbraw/zinc/16/59/53/1091165953.db2.gz ALLASQNGRZKSTL-IBGZPJMESA-N 2 1 317.477 3.375 20 0 DGADMP Cc1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]c2ccc(F)cc12 ZINC001138412105 1091173102 /nfs/dbraw/zinc/17/31/02/1091173102.db2.gz XZCMFBDRSRKBNO-UHFFFAOYSA-N 2 1 324.403 3.333 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304758 1091174902 /nfs/dbraw/zinc/17/49/02/1091174902.db2.gz PLOOYODHRSMRSA-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC001205304758 1091174911 /nfs/dbraw/zinc/17/49/11/1091174911.db2.gz PLOOYODHRSMRSA-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC001205304012 1091175170 /nfs/dbraw/zinc/17/51/70/1091175170.db2.gz MUTVELXPEVQFKZ-GDBMZVCRSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205303666 1091175185 /nfs/dbraw/zinc/17/51/85/1091175185.db2.gz JHTJCRDSURANLI-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205303666 1091175189 /nfs/dbraw/zinc/17/51/89/1091175189.db2.gz JHTJCRDSURANLI-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC001205304292 1091175283 /nfs/dbraw/zinc/17/52/83/1091175283.db2.gz NOKBYFBATVAYIH-RHSMWYFYSA-N 2 1 318.461 3.059 20 0 DGADMP C[C@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)C[C@@H]1C[NH3+] ZINC001205304045 1091175385 /nfs/dbraw/zinc/17/53/85/1091175385.db2.gz NFJVVVUWKQMILQ-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)C[C@@H]1C[NH3+] ZINC001205304045 1091175388 /nfs/dbraw/zinc/17/53/88/1091175388.db2.gz NFJVVVUWKQMILQ-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)C[C@H]1C[NH3+] ZINC001205303795 1091175480 /nfs/dbraw/zinc/17/54/80/1091175480.db2.gz KICAVYKZRZDDLA-TZMCWYRMSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@H]1C[NH3+] ZINC001205305071 1091176762 /nfs/dbraw/zinc/17/67/62/1091176762.db2.gz QUPMYPVGISLNPQ-HNAYVOBHSA-N 2 1 311.473 3.323 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305144 1091176784 /nfs/dbraw/zinc/17/67/84/1091176784.db2.gz RFHBRMLOXLKUCE-TZMCWYRMSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205305144 1091176787 /nfs/dbraw/zinc/17/67/87/1091176787.db2.gz RFHBRMLOXLKUCE-TZMCWYRMSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C[C@H]1C[NH3+] ZINC001205306759 1091177332 /nfs/dbraw/zinc/17/73/32/1091177332.db2.gz ZQNOFXITHDFBJZ-SJLPKXTDSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C[C@@H]1C[NH3+] ZINC001205317162 1091182714 /nfs/dbraw/zinc/18/27/14/1091182714.db2.gz MWOLZGALONAZHO-PBHICJAKSA-N 2 1 313.420 3.304 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205318303 1091184007 /nfs/dbraw/zinc/18/40/07/1091184007.db2.gz TZFSINOBUHKBSM-KXBFYZLASA-N 2 1 309.457 3.474 20 0 DGADMP CC(C)(C)OC(=O)C[N@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001205324522 1091185279 /nfs/dbraw/zinc/18/52/79/1091185279.db2.gz CSFGZFGTVCEACC-UHFFFAOYSA-N 2 1 320.477 3.349 20 0 DGADMP CC(C)(C)OC(=O)C[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001205324522 1091185286 /nfs/dbraw/zinc/18/52/86/1091185286.db2.gz CSFGZFGTVCEACC-UHFFFAOYSA-N 2 1 320.477 3.349 20 0 DGADMP Cc1noc(C)c1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001649126149 1091218571 /nfs/dbraw/zinc/21/85/71/1091218571.db2.gz FUJJHPRCBJECFE-UHFFFAOYSA-N 2 1 313.445 3.088 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)cc1 ZINC001138544280 1091222354 /nfs/dbraw/zinc/22/23/54/1091222354.db2.gz FVWLTXRCBZDEGX-BEFAXECRSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)cc1 ZINC001138544280 1091222365 /nfs/dbraw/zinc/22/23/65/1091222365.db2.gz FVWLTXRCBZDEGX-BEFAXECRSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)cc1 ZINC001138544280 1091222372 /nfs/dbraw/zinc/22/23/72/1091222372.db2.gz FVWLTXRCBZDEGX-BEFAXECRSA-N 2 1 313.445 3.164 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001138543625 1091223139 /nfs/dbraw/zinc/22/31/39/1091223139.db2.gz RRUUWYLRTJRHNF-PKOBYXMFSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001138543625 1091223146 /nfs/dbraw/zinc/22/31/46/1091223146.db2.gz RRUUWYLRTJRHNF-PKOBYXMFSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@H]([N@@H+](C)C(C)C)C2)cc1 ZINC001138550467 1091224938 /nfs/dbraw/zinc/22/49/38/1091224938.db2.gz ULMBLIWDJKZDOB-IBGZPJMESA-N 2 1 312.461 3.095 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)cc1 ZINC001138550467 1091224948 /nfs/dbraw/zinc/22/49/48/1091224948.db2.gz ULMBLIWDJKZDOB-IBGZPJMESA-N 2 1 312.461 3.095 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001205546360 1091249238 /nfs/dbraw/zinc/24/92/38/1091249238.db2.gz UIHJZTRNBJWJFJ-OAHLLOKOSA-N 2 1 318.358 3.401 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cc2c1 ZINC001205546216 1091250097 /nfs/dbraw/zinc/25/00/97/1091250097.db2.gz RWGOXXNLINBCAD-QGZVFWFLSA-N 2 1 306.381 3.094 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205546467 1091250365 /nfs/dbraw/zinc/25/03/65/1091250365.db2.gz VWIHXCNIOVHCFH-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OCC)c1 ZINC001205558871 1091253156 /nfs/dbraw/zinc/25/31/56/1091253156.db2.gz KTNQCXKSHNCUEH-GOSISDBHSA-N 2 1 324.440 3.137 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001205559430 1091253329 /nfs/dbraw/zinc/25/33/29/1091253329.db2.gz QNILKVQCPUOEND-QGZVFWFLSA-N 2 1 319.449 3.463 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1CC ZINC001205559752 1091254160 /nfs/dbraw/zinc/25/41/60/1091254160.db2.gz UKODGUPQXBYELK-SFHVURJKSA-N 2 1 308.441 3.301 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001205570294 1091259587 /nfs/dbraw/zinc/25/95/87/1091259587.db2.gz HURBVLVLJLQWLK-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001205570294 1091259597 /nfs/dbraw/zinc/25/95/97/1091259597.db2.gz HURBVLVLJLQWLK-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001205591706 1091270570 /nfs/dbraw/zinc/27/05/70/1091270570.db2.gz ODBJMZDZQVFABN-GOSISDBHSA-N 2 1 323.431 3.079 20 0 DGADMP c1cc2c[nH+]c(-c3ccc(CC[NH+]4CCOCC4)cc3)cc2[nH]1 ZINC001205606740 1091275396 /nfs/dbraw/zinc/27/53/96/1091275396.db2.gz JFZRMBCAJCVFTQ-UHFFFAOYSA-N 2 1 307.397 3.105 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1OCC ZINC001205616602 1091280521 /nfs/dbraw/zinc/28/05/21/1091280521.db2.gz GMPTVPHFABRJHG-RDJZCZTQSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC[C@@H]1C[NH3+] ZINC001205617705 1091282808 /nfs/dbraw/zinc/28/28/08/1091282808.db2.gz MOCQUYCNECTLOM-JKSUJKDBSA-N 2 1 305.466 3.077 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(CC)c1O ZINC001205626641 1091286262 /nfs/dbraw/zinc/28/62/62/1091286262.db2.gz HJLUMTHHXSWLRP-RDTXWAMCSA-N 2 1 304.478 3.324 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205627195 1091286273 /nfs/dbraw/zinc/28/62/73/1091286273.db2.gz NSTVFKKTZGBVOQ-RYUDHWBXSA-N 2 1 316.367 3.218 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC[C@@H]1C[NH3+] ZINC001205625221 1091287145 /nfs/dbraw/zinc/28/71/45/1091287145.db2.gz ACWHRNPZKQVZAT-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccsc2Br)CC[C@H]1C[NH3+] ZINC001205638977 1091292673 /nfs/dbraw/zinc/29/26/73/1091292673.db2.gz UDZVYSARYMSAPR-MNOVXSKESA-N 2 1 317.296 3.317 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@H]1C[NH3+] ZINC001205637642 1091292814 /nfs/dbraw/zinc/29/28/14/1091292814.db2.gz ICBJVBRBFVHJCV-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205655308 1091298290 /nfs/dbraw/zinc/29/82/90/1091298290.db2.gz ZDVRVIQSGDRRLS-OLZOCXBDSA-N 2 1 320.868 3.034 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC[C@@H]1C[NH3+] ZINC001205652230 1091298457 /nfs/dbraw/zinc/29/84/57/1091298457.db2.gz OQKNAOBJHQVTJK-NVXWUHKLSA-N 2 1 319.468 3.233 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC[C@@H]1C[NH3+] ZINC001205651970 1091298678 /nfs/dbraw/zinc/29/86/78/1091298678.db2.gz MSYASTZFEYAGHI-NWDGAFQWSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncnc(Cl)c3c2)CC[C@@H]1C[NH3+] ZINC001205651764 1091299336 /nfs/dbraw/zinc/29/93/36/1091299336.db2.gz JQQJBURGFLCVNI-TZMCWYRMSA-N 2 1 318.852 3.090 20 0 DGADMP c1nocc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001205763960 1091336753 /nfs/dbraw/zinc/33/67/53/1091336753.db2.gz WGESUAYQLBFHFD-OALUTQOASA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001205763960 1091336761 /nfs/dbraw/zinc/33/67/61/1091336761.db2.gz WGESUAYQLBFHFD-OALUTQOASA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001205763960 1091336773 /nfs/dbraw/zinc/33/67/73/1091336773.db2.gz WGESUAYQLBFHFD-OALUTQOASA-N 2 1 311.429 3.019 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001205802262 1091356261 /nfs/dbraw/zinc/35/62/61/1091356261.db2.gz AYNXBUFXONFEDQ-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)C2CCN(C)CC2)cc1OCC ZINC001138974969 1091401512 /nfs/dbraw/zinc/40/15/12/1091401512.db2.gz VVQHWPHUSDKEAD-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924395 1091414567 /nfs/dbraw/zinc/41/45/67/1091414567.db2.gz SGKCWHIBBMQTSO-GDBMZVCRSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924395 1091414571 /nfs/dbraw/zinc/41/45/71/1091414571.db2.gz SGKCWHIBBMQTSO-GDBMZVCRSA-N 2 1 313.420 3.447 20 0 DGADMP CSCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC001205990901 1091437558 /nfs/dbraw/zinc/43/75/58/1091437558.db2.gz XKFZRQXGXNCUQA-GOSISDBHSA-N 2 1 304.503 3.467 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001205990901 1091437561 /nfs/dbraw/zinc/43/75/61/1091437561.db2.gz XKFZRQXGXNCUQA-GOSISDBHSA-N 2 1 304.503 3.467 20 0 DGADMP CSCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC001205990901 1091437566 /nfs/dbraw/zinc/43/75/66/1091437566.db2.gz XKFZRQXGXNCUQA-GOSISDBHSA-N 2 1 304.503 3.467 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206004693 1091445885 /nfs/dbraw/zinc/44/58/85/1091445885.db2.gz UMJYLWSSGGYXMP-LSDHHAIUSA-N 2 1 315.461 3.373 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2F)CCC[C@H]1C[NH3+] ZINC001206012286 1091449422 /nfs/dbraw/zinc/44/94/22/1091449422.db2.gz JWHQEQZIAHDZHQ-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206014029 1091451253 /nfs/dbraw/zinc/45/12/53/1091451253.db2.gz VFXFCFMATGUSIQ-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C2CCOCC2)CCC[C@H]1C[NH3+] ZINC001206026005 1091456626 /nfs/dbraw/zinc/45/66/26/1091456626.db2.gz QLFZLYQRPRIIKE-AEFFLSMTSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001206049965 1091469505 /nfs/dbraw/zinc/46/95/05/1091469505.db2.gz VZOVXTWQORXQNF-UHOFOFEASA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001206049965 1091469510 /nfs/dbraw/zinc/46/95/10/1091469510.db2.gz VZOVXTWQORXQNF-UHOFOFEASA-N 2 1 312.379 3.453 20 0 DGADMP Cc1nc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)co1 ZINC001206080468 1091484068 /nfs/dbraw/zinc/48/40/68/1091484068.db2.gz AETODXBSJMOOFV-UHFFFAOYSA-N 2 1 311.429 3.081 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c2ccccc12 ZINC001206156245 1091511826 /nfs/dbraw/zinc/51/18/26/1091511826.db2.gz PHIJKUCFGRAWSJ-DLBZAZTESA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206156245 1091511833 /nfs/dbraw/zinc/51/18/33/1091511833.db2.gz PHIJKUCFGRAWSJ-DLBZAZTESA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc2c1 ZINC001206163697 1091515868 /nfs/dbraw/zinc/51/58/68/1091515868.db2.gz DUGJAWJHBYIWNS-QZTJIDSGSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc2c1 ZINC001206163697 1091515880 /nfs/dbraw/zinc/51/58/80/1091515880.db2.gz DUGJAWJHBYIWNS-QZTJIDSGSA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@@H]1F ZINC001206174003 1091519797 /nfs/dbraw/zinc/51/97/97/1091519797.db2.gz LFNALYMXSDKNBG-GJZGRUSLSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@@H]1F ZINC001206174003 1091519805 /nfs/dbraw/zinc/51/98/05/1091519805.db2.gz LFNALYMXSDKNBG-GJZGRUSLSA-N 2 1 323.412 3.210 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc2O1 ZINC001206172799 1091520321 /nfs/dbraw/zinc/52/03/21/1091520321.db2.gz CBXBSLAKXONOJB-CVEARBPZSA-N 2 1 306.425 3.051 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@H]1F ZINC001206173613 1091520457 /nfs/dbraw/zinc/52/04/57/1091520457.db2.gz ISEGJHMSONVXQC-CABCVRRESA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@H]1F ZINC001206173613 1091520464 /nfs/dbraw/zinc/52/04/64/1091520464.db2.gz ISEGJHMSONVXQC-CABCVRRESA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@H]1F ZINC001206174005 1091521205 /nfs/dbraw/zinc/52/12/05/1091521205.db2.gz LFNALYMXSDKNBG-HUUCEWRRSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC[C@H]1F ZINC001206174005 1091521213 /nfs/dbraw/zinc/52/12/13/1091521213.db2.gz LFNALYMXSDKNBG-HUUCEWRRSA-N 2 1 323.412 3.210 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC[C@@H]1F ZINC001206175447 1091523375 /nfs/dbraw/zinc/52/33/75/1091523375.db2.gz VGLBSTYZEZYWTP-UONOGXRCSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1F ZINC001206197718 1091530698 /nfs/dbraw/zinc/53/06/98/1091530698.db2.gz JBLGGYLMSPUDRL-RBUKOAKNSA-N 2 1 314.404 3.320 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1F ZINC001206197718 1091530703 /nfs/dbraw/zinc/53/07/03/1091530703.db2.gz JBLGGYLMSPUDRL-RBUKOAKNSA-N 2 1 314.404 3.320 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206209936 1091536450 /nfs/dbraw/zinc/53/64/50/1091536450.db2.gz ITSWBUJPUGCCRY-UONOGXRCSA-N 2 1 315.230 3.019 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206209936 1091536457 /nfs/dbraw/zinc/53/64/57/1091536457.db2.gz ITSWBUJPUGCCRY-UONOGXRCSA-N 2 1 315.230 3.019 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C)c1OC(C)C ZINC001206211748 1091537490 /nfs/dbraw/zinc/53/74/90/1091537490.db2.gz PJLZWTPNNXEUSB-DLBZAZTESA-N 2 1 308.441 3.352 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206269323 1091558698 /nfs/dbraw/zinc/55/86/98/1091558698.db2.gz KJBJLVPECYRRNC-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206269323 1091558708 /nfs/dbraw/zinc/55/87/08/1091558708.db2.gz KJBJLVPECYRRNC-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001206284767 1091561218 /nfs/dbraw/zinc/56/12/18/1091561218.db2.gz GZIFRUGZVMXBBX-KRWDZBQOSA-N 2 1 310.441 3.307 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001206284767 1091561225 /nfs/dbraw/zinc/56/12/25/1091561225.db2.gz GZIFRUGZVMXBBX-KRWDZBQOSA-N 2 1 310.441 3.307 20 0 DGADMP Cc1c(Cl)ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1F ZINC001206283798 1091562003 /nfs/dbraw/zinc/56/20/03/1091562003.db2.gz KCPRHMATCQKRMA-UHFFFAOYSA-N 2 1 305.784 3.259 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001206285989 1091563815 /nfs/dbraw/zinc/56/38/15/1091563815.db2.gz QMJXAORTYVMSHG-CQSZACIVSA-N 2 1 315.848 3.443 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001206285989 1091563822 /nfs/dbraw/zinc/56/38/22/1091563822.db2.gz QMJXAORTYVMSHG-CQSZACIVSA-N 2 1 315.848 3.443 20 0 DGADMP C[N@@H+](Cc1ccc(=O)[nH]c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139470378 1091567876 /nfs/dbraw/zinc/56/78/76/1091567876.db2.gz SBHZOGQCFULOSB-UHFFFAOYSA-N 2 1 303.450 3.016 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1OCC ZINC001206303727 1091568649 /nfs/dbraw/zinc/56/86/49/1091568649.db2.gz GGJXVERTVHKJPK-LJQANCHMSA-N 2 1 320.477 3.435 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1OC(C)C ZINC001206304205 1091569243 /nfs/dbraw/zinc/56/92/43/1091569243.db2.gz HIXPNOJHVHHQRS-LJQANCHMSA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc2c1 ZINC001206303034 1091569443 /nfs/dbraw/zinc/56/94/43/1091569443.db2.gz AJLYAOKQNHSCRR-SFHVURJKSA-N 2 1 302.418 3.392 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001206326235 1091581334 /nfs/dbraw/zinc/58/13/34/1091581334.db2.gz LTXYMFAUFLXSSL-LJQANCHMSA-N 2 1 319.468 3.377 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001206334971 1091582994 /nfs/dbraw/zinc/58/29/94/1091582994.db2.gz BMJNZFUKMAAIAJ-GOSISDBHSA-N 2 1 317.408 3.432 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001206337308 1091585658 /nfs/dbraw/zinc/58/56/58/1091585658.db2.gz SUJGFBHXGVFCRG-KRWDZBQOSA-N 2 1 316.474 3.156 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(-c4ccccc4)nc3)C[C@H]2C1 ZINC001139525872 1091586069 /nfs/dbraw/zinc/58/60/69/1091586069.db2.gz IFLBIUSNCHOTIB-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001206343956 1091586585 /nfs/dbraw/zinc/58/65/85/1091586585.db2.gz XGEBTAACQKZQTM-NVXWUHKLSA-N 2 1 324.509 3.161 20 0 DGADMP CCn1ccc2ccc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)cc21 ZINC001206351992 1091591564 /nfs/dbraw/zinc/59/15/64/1091591564.db2.gz LRSGDSRINFGFSR-GOSISDBHSA-N 2 1 303.425 3.314 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)cc21 ZINC001206351992 1091591576 /nfs/dbraw/zinc/59/15/76/1091591576.db2.gz LRSGDSRINFGFSR-GOSISDBHSA-N 2 1 303.425 3.314 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cn3c(cccc3F)n2)CC1 ZINC001139567536 1091606348 /nfs/dbraw/zinc/60/63/48/1091606348.db2.gz VZPYBNHRHQNXJY-UHFFFAOYSA-N 2 1 318.440 3.026 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC001206410128 1091620325 /nfs/dbraw/zinc/62/03/25/1091620325.db2.gz OXBGUMFMXRLQLP-VSKRKVRLSA-N 2 1 320.480 3.479 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)c(CC)c3)C[C@@H]2C1 ZINC001139625194 1091626120 /nfs/dbraw/zinc/62/61/20/1091626120.db2.gz BKRYKZADDVZTRX-KDURUIRLSA-N 2 1 316.489 3.421 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)c(CC)c3)C[C@@H]2C1 ZINC001139625194 1091626124 /nfs/dbraw/zinc/62/61/24/1091626124.db2.gz BKRYKZADDVZTRX-KDURUIRLSA-N 2 1 316.489 3.421 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC)c(CC)c3)C[C@@H]2C1 ZINC001139625194 1091626127 /nfs/dbraw/zinc/62/61/27/1091626127.db2.gz BKRYKZADDVZTRX-KDURUIRLSA-N 2 1 316.489 3.421 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC)c(CC)c3)C[C@@H]2C1 ZINC001139625194 1091626132 /nfs/dbraw/zinc/62/61/32/1091626132.db2.gz BKRYKZADDVZTRX-KDURUIRLSA-N 2 1 316.489 3.421 20 0 DGADMP CCOc1c(Cl)ccc(C[NH+]2CCC(CC[NH3+])CC2)c1F ZINC001206500982 1091651287 /nfs/dbraw/zinc/65/12/87/1091651287.db2.gz YXZGASNKLQBJLH-UHFFFAOYSA-N 2 1 314.832 3.439 20 0 DGADMP CC(C)Oc1c(C[NH+]2CCC(CC[NH3+])CC2)ccc(F)c1F ZINC001206506469 1091652840 /nfs/dbraw/zinc/65/28/40/1091652840.db2.gz BKNLOXOVTSYHRR-UHFFFAOYSA-N 2 1 312.404 3.313 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206542293 1091661908 /nfs/dbraw/zinc/66/19/08/1091661908.db2.gz XHFBZRAMUQAERQ-FQEVSTJZSA-N 2 1 315.505 3.354 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206540187 1091662417 /nfs/dbraw/zinc/66/24/17/1091662417.db2.gz BFYAFZRDZPSMAM-IBGZPJMESA-N 2 1 304.478 3.434 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1OC ZINC001206548162 1091665670 /nfs/dbraw/zinc/66/56/70/1091665670.db2.gz HTIZRURNPKGINA-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC001206582156 1091678032 /nfs/dbraw/zinc/67/80/32/1091678032.db2.gz MKHWSTRRBCGKGZ-QGZVFWFLSA-N 2 1 320.477 3.446 20 0 DGADMP COCc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001139827246 1091682211 /nfs/dbraw/zinc/68/22/11/1091682211.db2.gz RUOYMWKWVYWZRD-UHFFFAOYSA-N 2 1 310.507 3.447 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599686 1091683948 /nfs/dbraw/zinc/68/39/48/1091683948.db2.gz VOMYMIHTROAUTH-HNNXBMFYSA-N 2 1 308.441 3.495 20 0 DGADMP COc1cc(C)cc(F)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599686 1091683950 /nfs/dbraw/zinc/68/39/50/1091683950.db2.gz VOMYMIHTROAUTH-HNNXBMFYSA-N 2 1 308.441 3.495 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001206606188 1091687124 /nfs/dbraw/zinc/68/71/24/1091687124.db2.gz GTTSOKGMBMXPOY-ZDUSSCGKSA-N 2 1 300.368 3.309 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606155 1091687850 /nfs/dbraw/zinc/68/78/50/1091687850.db2.gz FVFXYGJZJDDZFZ-KRWDZBQOSA-N 2 1 312.498 3.341 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2ccccc2Br)C1 ZINC001206606256 1091687958 /nfs/dbraw/zinc/68/79/58/1091687958.db2.gz IFKDMQCOMPBICG-ZDUSSCGKSA-N 2 1 311.267 3.052 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206615927 1091690552 /nfs/dbraw/zinc/69/05/52/1091690552.db2.gz KLHPMHIUOZRJKW-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206615927 1091690558 /nfs/dbraw/zinc/69/05/58/1091690558.db2.gz KLHPMHIUOZRJKW-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c2c1 ZINC001206623588 1091693565 /nfs/dbraw/zinc/69/35/65/1091693565.db2.gz NJGMCNFNSXQNKE-CQSZACIVSA-N 2 1 301.434 3.127 20 0 DGADMP Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934116 1091718143 /nfs/dbraw/zinc/71/81/43/1091718143.db2.gz DLHCDRZZVYOYGX-RTWAWAEBSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@]1(F)CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@@H]1F ZINC001206744250 1091720620 /nfs/dbraw/zinc/72/06/20/1091720620.db2.gz HGNGVVKYCNKVJP-WMZOPIPTSA-N 2 1 319.399 3.017 20 0 DGADMP C[C@]1(F)CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@@H]1F ZINC001206744250 1091720625 /nfs/dbraw/zinc/72/06/25/1091720625.db2.gz HGNGVVKYCNKVJP-WMZOPIPTSA-N 2 1 319.399 3.017 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206760666 1091726675 /nfs/dbraw/zinc/72/66/75/1091726675.db2.gz KAAJUYURHCLKNF-IAGOWNOFSA-N 2 1 312.498 3.339 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccccc1C(F)(F)F ZINC001206761051 1091728668 /nfs/dbraw/zinc/72/86/68/1091728668.db2.gz SBYHXDUBGQJJRE-CHWSQXEVSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001206768277 1091731665 /nfs/dbraw/zinc/73/16/65/1091731665.db2.gz IHMVKYCNZRQMDF-CABCVRRESA-N 2 1 301.409 3.176 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccn1-c1ccccc1F ZINC001206768277 1091731670 /nfs/dbraw/zinc/73/16/70/1091731670.db2.gz IHMVKYCNZRQMDF-CABCVRRESA-N 2 1 301.409 3.176 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OCC)c1 ZINC001206768078 1091731736 /nfs/dbraw/zinc/73/17/36/1091731736.db2.gz GTORFBZOXMZJFJ-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OCC)c1 ZINC001206768078 1091731740 /nfs/dbraw/zinc/73/17/40/1091731740.db2.gz GTORFBZOXMZJFJ-GJZGRUSLSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767984 1091731959 /nfs/dbraw/zinc/73/19/59/1091731959.db2.gz GMDUDQDQQDAZCU-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767984 1091731963 /nfs/dbraw/zinc/73/19/63/1091731963.db2.gz GMDUDQDQQDAZCU-GHMZBOCLSA-N 2 1 320.330 3.284 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001206768695 1091731984 /nfs/dbraw/zinc/73/19/84/1091731984.db2.gz LMAGUPYDCXOHER-HOCLYGCPSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767987 1091732080 /nfs/dbraw/zinc/73/20/80/1091732080.db2.gz GMDUDQDQQDAZCU-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001206767987 1091732085 /nfs/dbraw/zinc/73/20/85/1091732085.db2.gz GMDUDQDQQDAZCU-WDEREUQCSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769769 1091734110 /nfs/dbraw/zinc/73/41/10/1091734110.db2.gz QFTKBJRVDOAYDG-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769769 1091734113 /nfs/dbraw/zinc/73/41/13/1091734113.db2.gz QFTKBJRVDOAYDG-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1OCC1CC1 ZINC001206806045 1091747841 /nfs/dbraw/zinc/74/78/41/1091747841.db2.gz DMQKCUZQVOKVDB-GDBMZVCRSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1OCC1CC1 ZINC001206806045 1091747847 /nfs/dbraw/zinc/74/78/47/1091747847.db2.gz DMQKCUZQVOKVDB-GDBMZVCRSA-N 2 1 318.461 3.043 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206811467 1091751120 /nfs/dbraw/zinc/75/11/20/1091751120.db2.gz UYYVJQCWETUCQP-RDJZCZTQSA-N 3 1 313.489 3.247 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206811467 1091751124 /nfs/dbraw/zinc/75/11/24/1091751124.db2.gz UYYVJQCWETUCQP-RDJZCZTQSA-N 2 1 313.489 3.247 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1C ZINC001206812280 1091751842 /nfs/dbraw/zinc/75/18/42/1091751842.db2.gz YYTOQUZMVXXAIC-HOTGVXAUSA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1C ZINC001206812280 1091751849 /nfs/dbraw/zinc/75/18/49/1091751849.db2.gz YYTOQUZMVXXAIC-HOTGVXAUSA-N 2 1 305.466 3.128 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(-c3ccc(F)cc3)on1)CC2 ZINC001206837443 1091761428 /nfs/dbraw/zinc/76/14/28/1091761428.db2.gz DOXLJKXYGUPLNY-UHFFFAOYSA-N 2 1 315.392 3.008 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001085389392 1091761929 /nfs/dbraw/zinc/76/19/29/1091761929.db2.gz HEZPFBDSZJMOBM-KURKYZTESA-N 2 1 323.525 3.066 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140335877 1091831542 /nfs/dbraw/zinc/83/15/42/1091831542.db2.gz AJWDANSHUYSRJA-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140335877 1091831545 /nfs/dbraw/zinc/83/15/45/1091831545.db2.gz AJWDANSHUYSRJA-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140335877 1091831551 /nfs/dbraw/zinc/83/15/51/1091831551.db2.gz AJWDANSHUYSRJA-SFHVURJKSA-N 2 1 313.470 3.338 20 0 DGADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001203032136 1091849180 /nfs/dbraw/zinc/84/91/80/1091849180.db2.gz NRHLDAQRRSEWOH-ICSRJNTNSA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001203032136 1091849189 /nfs/dbraw/zinc/84/91/89/1091849189.db2.gz NRHLDAQRRSEWOH-ICSRJNTNSA-N 2 1 317.521 3.074 20 0 DGADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001203032136 1091849195 /nfs/dbraw/zinc/84/91/95/1091849195.db2.gz NRHLDAQRRSEWOH-ICSRJNTNSA-N 2 1 317.521 3.074 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278619 1091908811 /nfs/dbraw/zinc/90/88/11/1091908811.db2.gz HGCUCRQTDZOQPT-RCCFBDPRSA-N 2 1 306.494 3.021 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278619 1091908820 /nfs/dbraw/zinc/90/88/20/1091908820.db2.gz HGCUCRQTDZOQPT-RCCFBDPRSA-N 2 1 306.494 3.021 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278619 1091908831 /nfs/dbraw/zinc/90/88/31/1091908831.db2.gz HGCUCRQTDZOQPT-RCCFBDPRSA-N 2 1 306.494 3.021 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278619 1091908839 /nfs/dbraw/zinc/90/88/39/1091908839.db2.gz HGCUCRQTDZOQPT-RCCFBDPRSA-N 2 1 306.494 3.021 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1OC ZINC001207285330 1091911105 /nfs/dbraw/zinc/91/11/05/1091911105.db2.gz GICACWZFRWABME-MRXNPFEDSA-N 2 1 320.477 3.429 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1OC ZINC001207285330 1091911115 /nfs/dbraw/zinc/91/11/15/1091911115.db2.gz GICACWZFRWABME-MRXNPFEDSA-N 2 1 320.477 3.429 20 0 DGADMP CC[C@H]1COCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292556 1091913751 /nfs/dbraw/zinc/91/37/51/1091913751.db2.gz UJJCYWADYIMVBR-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001207293730 1091914302 /nfs/dbraw/zinc/91/43/02/1091914302.db2.gz LBQOCBTUDHYZRA-HXUWFJFHSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001207294312 1091915848 /nfs/dbraw/zinc/91/58/48/1091915848.db2.gz PMCWZWRWYYHKFX-DLBZAZTESA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001207295448 1091916355 /nfs/dbraw/zinc/91/63/55/1091916355.db2.gz QUQJCVOMELDQKS-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001207398597 1091954216 /nfs/dbraw/zinc/95/42/16/1091954216.db2.gz BXBLQNXWZOQDIR-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)CC2CC[NH2+]CC2)CC1 ZINC001207440899 1091969346 /nfs/dbraw/zinc/96/93/46/1091969346.db2.gz KYNJVGMYIHPYJH-QAQDUYKDSA-N 2 1 324.509 3.068 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207443327 1091971291 /nfs/dbraw/zinc/97/12/91/1091971291.db2.gz QYOZXAOJFBLYCQ-IBGZPJMESA-N 2 1 302.437 3.105 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3c(Cl)ncc4ccccc43)C2)CC1 ZINC001140724168 1091974686 /nfs/dbraw/zinc/97/46/86/1091974686.db2.gz LWGRXHKKZINGMQ-UHFFFAOYSA-N 2 1 315.848 3.416 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC1CC[NH+](C)CC1 ZINC001207487293 1091984279 /nfs/dbraw/zinc/98/42/79/1091984279.db2.gz WZBVNLQNIDTJCV-OALUTQOASA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207487293 1091984283 /nfs/dbraw/zinc/98/42/83/1091984283.db2.gz WZBVNLQNIDTJCV-OALUTQOASA-N 3 1 307.526 3.057 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487293 1091984290 /nfs/dbraw/zinc/98/42/90/1091984290.db2.gz WZBVNLQNIDTJCV-OALUTQOASA-N 3 1 307.526 3.057 20 0 DGADMP COc1cccc(CCC[N@@H+](C)CCC2CC[NH+](C)CC2)c1 ZINC001207486040 1091985063 /nfs/dbraw/zinc/98/50/63/1091985063.db2.gz BVPWVLJWLBDZNE-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP COc1cc(C[N@@H+](C)Cc2c[nH]c3ccncc23)cc(OC)c1 ZINC001140802851 1092005488 /nfs/dbraw/zinc/00/54/88/1092005488.db2.gz GSOGCQUMDBBEEQ-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP COc1cc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc(OC)c1 ZINC001140802851 1092005494 /nfs/dbraw/zinc/00/54/94/1092005494.db2.gz GSOGCQUMDBBEEQ-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP COc1cc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc(OC)c1 ZINC001140802851 1092005504 /nfs/dbraw/zinc/00/55/04/1092005504.db2.gz GSOGCQUMDBBEEQ-UHFFFAOYSA-N 2 1 311.385 3.212 20 0 DGADMP COC1CC[NH+](C2CC[NH+](CCc3cccc(C)c3)CC2)CC1 ZINC001207536566 1092013394 /nfs/dbraw/zinc/01/33/94/1092013394.db2.gz LUQWHIRENHBCSV-UHFFFAOYSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1c[nH]c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001140863027 1092038529 /nfs/dbraw/zinc/03/85/29/1092038529.db2.gz VDZZESANMQLWSN-OALUTQOASA-N 2 1 309.457 3.195 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCC1CCCCC1)CC2 ZINC001207607671 1092038621 /nfs/dbraw/zinc/03/86/21/1092038621.db2.gz AHYWHFAUOVDDPG-UHFFFAOYSA-N 2 1 307.482 3.477 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cnco1)CC2 ZINC001140928368 1092067703 /nfs/dbraw/zinc/06/77/03/1092067703.db2.gz OVFNTDQGJPBETL-QGZVFWFLSA-N 2 1 315.417 3.144 20 0 DGADMP C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC1CCCCC1 ZINC001140971556 1092088100 /nfs/dbraw/zinc/08/81/00/1092088100.db2.gz WNNZFBPSQFEQBO-UHFFFAOYSA-N 2 1 315.505 3.451 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1C ZINC001140970191 1092088425 /nfs/dbraw/zinc/08/84/25/1092088425.db2.gz GAOLGHSGZSLHBV-MSOLQXFVSA-N 2 1 315.505 3.306 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C[C@H]1C ZINC001140970194 1092088464 /nfs/dbraw/zinc/08/84/64/1092088464.db2.gz GAOLGHSGZSLHBV-ZWKOTPCHSA-N 2 1 315.505 3.306 20 0 DGADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ncco1)CC2 ZINC001141003599 1092103241 /nfs/dbraw/zinc/10/32/41/1092103241.db2.gz AFSODPZDRJZHHG-MRXNPFEDSA-N 2 1 315.417 3.144 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ncco1)CC2 ZINC001141003599 1092103248 /nfs/dbraw/zinc/10/32/48/1092103248.db2.gz AFSODPZDRJZHHG-MRXNPFEDSA-N 2 1 315.417 3.144 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001141005969 1092105092 /nfs/dbraw/zinc/10/50/92/1092105092.db2.gz YPTCEFHYWONWSD-GASCZTMLSA-N 2 1 313.470 3.194 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001141005969 1092105096 /nfs/dbraw/zinc/10/50/96/1092105096.db2.gz YPTCEFHYWONWSD-GASCZTMLSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001141005969 1092105097 /nfs/dbraw/zinc/10/50/97/1092105097.db2.gz YPTCEFHYWONWSD-GASCZTMLSA-N 2 1 313.470 3.194 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001141005969 1092105102 /nfs/dbraw/zinc/10/51/02/1092105102.db2.gz YPTCEFHYWONWSD-GASCZTMLSA-N 2 1 313.470 3.194 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnccc4C)C[C@@H]3C2)cc1 ZINC001141033891 1092113035 /nfs/dbraw/zinc/11/30/35/1092113035.db2.gz IGOOCJPVKIRTGY-SFTDATJTSA-N 2 1 321.468 3.262 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccn3ccnc3c2)CC1 ZINC001141050833 1092119601 /nfs/dbraw/zinc/11/96/01/1092119601.db2.gz KULWTTRTHXEAKJ-UHFFFAOYSA-N 2 1 300.450 3.031 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccn3ccnc3c2)CC1 ZINC001141050833 1092119608 /nfs/dbraw/zinc/11/96/08/1092119608.db2.gz KULWTTRTHXEAKJ-UHFFFAOYSA-N 2 1 300.450 3.031 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852519 1092120473 /nfs/dbraw/zinc/12/04/73/1092120473.db2.gz NBBYROSAZHXFOA-KNTRFNDTSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852519 1092120476 /nfs/dbraw/zinc/12/04/76/1092120476.db2.gz NBBYROSAZHXFOA-KNTRFNDTSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852519 1092120479 /nfs/dbraw/zinc/12/04/79/1092120479.db2.gz NBBYROSAZHXFOA-KNTRFNDTSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852519 1092120485 /nfs/dbraw/zinc/12/04/85/1092120485.db2.gz NBBYROSAZHXFOA-KNTRFNDTSA-N 2 1 314.473 3.276 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852519 1092120489 /nfs/dbraw/zinc/12/04/89/1092120489.db2.gz NBBYROSAZHXFOA-KNTRFNDTSA-N 2 1 314.473 3.276 20 0 DGADMP Cc1cccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1Br ZINC001141092717 1092135063 /nfs/dbraw/zinc/13/50/63/1092135063.db2.gz CCRBDKKNXCVYHU-INIZCTEOSA-N 2 1 323.278 3.285 20 0 DGADMP COC1CC[NH+](C2CC[NH+](CCCc3ccc(C)o3)CC2)CC1 ZINC001207950766 1092154640 /nfs/dbraw/zinc/15/46/40/1092154640.db2.gz RFYZYLUALARFJY-UHFFFAOYSA-N 2 1 320.477 3.096 20 0 DGADMP C[NH+]1CCC(C)(C[NH+](Cc2ccccn2)Cc2ccccn2)CC1 ZINC001208102699 1092197055 /nfs/dbraw/zinc/19/70/55/1092197055.db2.gz HCFKAROIYZONGU-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001208107101 1092198754 /nfs/dbraw/zinc/19/87/54/1092198754.db2.gz NTRZTRCCMBDRJO-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001208113710 1092201700 /nfs/dbraw/zinc/20/17/00/1092201700.db2.gz LUMZSYIXEBKOBS-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001208145620 1092217998 /nfs/dbraw/zinc/21/79/98/1092217998.db2.gz WWWLJICHTHSLIT-GJZGRUSLSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@@H](C)CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001208145620 1092218010 /nfs/dbraw/zinc/21/80/10/1092218010.db2.gz WWWLJICHTHSLIT-GJZGRUSLSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208145620 1092218023 /nfs/dbraw/zinc/21/80/23/1092218023.db2.gz WWWLJICHTHSLIT-GJZGRUSLSA-N 2 1 324.538 3.242 20 0 DGADMP CS[C@@H](C)CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208145620 1092218030 /nfs/dbraw/zinc/21/80/30/1092218030.db2.gz WWWLJICHTHSLIT-GJZGRUSLSA-N 2 1 324.538 3.242 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)CCCC1 ZINC001208189211 1092252643 /nfs/dbraw/zinc/25/26/43/1092252643.db2.gz RZHHFQUVJPUQGX-SFHVURJKSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001208221103 1092276766 /nfs/dbraw/zinc/27/67/66/1092276766.db2.gz KWNQMJGQFLCBTH-MRXNPFEDSA-N 2 1 318.461 3.012 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)c1C ZINC001205992840 1092369663 /nfs/dbraw/zinc/36/96/63/1092369663.db2.gz GCRNMBSDLNSZFU-RHSMWYFYSA-N 2 1 304.478 3.427 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1C ZINC001205992851 1092369786 /nfs/dbraw/zinc/36/97/86/1092369786.db2.gz GCRNMBSDLNSZFU-YOEHRIQHSA-N 2 1 304.478 3.427 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001141985857 1092376967 /nfs/dbraw/zinc/37/69/67/1092376967.db2.gz MSHWURUAHABNMF-UHFFFAOYSA-N 2 1 313.445 3.424 20 0 DGADMP C[C@@H]1C[N@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205993682 1092394242 /nfs/dbraw/zinc/39/42/42/1092394242.db2.gz IJLMYMCQCHTETR-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)c(F)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205993682 1092394257 /nfs/dbraw/zinc/39/42/57/1092394257.db2.gz IJLMYMCQCHTETR-NXEZZACHSA-N 2 1 304.331 3.050 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)CC1 ZINC001208599803 1092420326 /nfs/dbraw/zinc/42/03/26/1092420326.db2.gz BZNBZADRYONXDY-MRXNPFEDSA-N 2 1 320.481 3.104 20 0 DGADMP Cc1ccccc1OC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208605052 1092424428 /nfs/dbraw/zinc/42/44/28/1092424428.db2.gz XGTVYXFQMFURIL-QGZVFWFLSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001208615993 1092431282 /nfs/dbraw/zinc/43/12/82/1092431282.db2.gz JGFONQIQTGNJTQ-PBHICJAKSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001208615993 1092431285 /nfs/dbraw/zinc/43/12/85/1092431285.db2.gz JGFONQIQTGNJTQ-PBHICJAKSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001208615993 1092431288 /nfs/dbraw/zinc/43/12/88/1092431288.db2.gz JGFONQIQTGNJTQ-PBHICJAKSA-N 2 1 308.466 3.334 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1 ZINC001208616967 1092431329 /nfs/dbraw/zinc/43/13/29/1092431329.db2.gz LQZZBISBSIUKPJ-RTBURBONSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC001208616967 1092431331 /nfs/dbraw/zinc/43/13/31/1092431331.db2.gz LQZZBISBSIUKPJ-RTBURBONSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC001208616967 1092431333 /nfs/dbraw/zinc/43/13/33/1092431333.db2.gz LQZZBISBSIUKPJ-RTBURBONSA-N 2 1 316.489 3.292 20 0 DGADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CCC4CC4)CC3)C2)cc1 ZINC001208681945 1092455211 /nfs/dbraw/zinc/45/52/11/1092455211.db2.gz ATCGELKXXKCLML-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP Cn1cc2c(cccc2C[NH+]2CCC([NH+]3CCCCC3)CC2)n1 ZINC001142441175 1092482989 /nfs/dbraw/zinc/48/29/89/1092482989.db2.gz WVARNKOPERZSKF-UHFFFAOYSA-N 2 1 312.461 3.024 20 0 DGADMP CN1CCC[C@@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814993 1092522959 /nfs/dbraw/zinc/52/29/59/1092522959.db2.gz MZLQOWYDCHWGQA-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC001169099794 1092528440 /nfs/dbraw/zinc/52/84/40/1092528440.db2.gz VWVZWBUZTIQGNG-BJWYYQGGSA-N 2 1 300.446 3.115 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3ccc(F)cc31)C2 ZINC001169090903 1092540448 /nfs/dbraw/zinc/54/04/48/1092540448.db2.gz NOLFMROJLOJULM-ZSHCYNCHSA-N 2 1 301.409 3.079 20 0 DGADMP COc1ccc(CC2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001169117855 1092541992 /nfs/dbraw/zinc/54/19/92/1092541992.db2.gz AUIFIRXZJWIGSM-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP CC(C)Nc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169137294 1092549207 /nfs/dbraw/zinc/54/92/07/1092549207.db2.gz KMXXBLDLNBXZLO-DYVFJYSZSA-N 2 1 305.470 3.253 20 0 DGADMP CC(C)Nc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169137293 1092549584 /nfs/dbraw/zinc/54/95/84/1092549584.db2.gz KMXXBLDLNBXZLO-CXAGYDPISA-N 2 1 305.470 3.253 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169114889 1092555809 /nfs/dbraw/zinc/55/58/09/1092555809.db2.gz ZJGHUWPYVFQSSP-LUPIEILUSA-N 3 1 307.526 3.102 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001169114889 1092555816 /nfs/dbraw/zinc/55/58/16/1092555816.db2.gz ZJGHUWPYVFQSSP-LUPIEILUSA-N 2 1 307.526 3.102 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccnc3c(F)cccc13)C2 ZINC001276596832 1092566005 /nfs/dbraw/zinc/56/60/05/1092566005.db2.gz DCEANYGCASOHFY-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596832 1092566021 /nfs/dbraw/zinc/56/60/21/1092566021.db2.gz DCEANYGCASOHFY-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596832 1092566033 /nfs/dbraw/zinc/56/60/33/1092566033.db2.gz DCEANYGCASOHFY-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596832 1092566043 /nfs/dbraw/zinc/56/60/43/1092566043.db2.gz DCEANYGCASOHFY-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596832 1092566055 /nfs/dbraw/zinc/56/60/55/1092566055.db2.gz DCEANYGCASOHFY-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208930845 1092593783 /nfs/dbraw/zinc/59/37/83/1092593783.db2.gz FOWHCDIDKBZKEO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208930845 1092593796 /nfs/dbraw/zinc/59/37/96/1092593796.db2.gz FOWHCDIDKBZKEO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208930845 1092593803 /nfs/dbraw/zinc/59/38/03/1092593803.db2.gz FOWHCDIDKBZKEO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP CCOC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208935833 1092595552 /nfs/dbraw/zinc/59/55/52/1092595552.db2.gz MFFHFUBTZUWSDE-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](CCc1ccncc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931685 1092595897 /nfs/dbraw/zinc/59/58/97/1092595897.db2.gz CNPLSGRNMWRHIC-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1ccncc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931685 1092595905 /nfs/dbraw/zinc/59/59/05/1092595905.db2.gz CNPLSGRNMWRHIC-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1ccncc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931685 1092595912 /nfs/dbraw/zinc/59/59/12/1092595912.db2.gz CNPLSGRNMWRHIC-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@]4(CCCO4)C3)C2)cc1 ZINC001208933838 1092596976 /nfs/dbraw/zinc/59/69/76/1092596976.db2.gz WJLPGCWXCYONLW-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@]4(CCCO4)C3)C2)cc1 ZINC001208933838 1092596986 /nfs/dbraw/zinc/59/69/86/1092596986.db2.gz WJLPGCWXCYONLW-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@]4(CCCO4)C3)C2)cc1 ZINC001208933838 1092596995 /nfs/dbraw/zinc/59/69/95/1092596995.db2.gz WJLPGCWXCYONLW-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001276601899 1092598991 /nfs/dbraw/zinc/59/89/91/1092598991.db2.gz NWSDIUQJGDCLAS-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001276601899 1092598999 /nfs/dbraw/zinc/59/89/99/1092598999.db2.gz NWSDIUQJGDCLAS-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC001276601899 1092599008 /nfs/dbraw/zinc/59/90/08/1092599008.db2.gz NWSDIUQJGDCLAS-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC001276601899 1092599016 /nfs/dbraw/zinc/59/90/16/1092599016.db2.gz NWSDIUQJGDCLAS-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939954 1092601010 /nfs/dbraw/zinc/60/10/10/1092601010.db2.gz MHIHAXWIHSKVSR-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939954 1092601014 /nfs/dbraw/zinc/60/10/14/1092601014.db2.gz MHIHAXWIHSKVSR-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939954 1092601017 /nfs/dbraw/zinc/60/10/17/1092601017.db2.gz MHIHAXWIHSKVSR-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939954 1092601018 /nfs/dbraw/zinc/60/10/18/1092601018.db2.gz MHIHAXWIHSKVSR-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001169229935 1092602400 /nfs/dbraw/zinc/60/24/00/1092602400.db2.gz MCQXMKJOWNVQSF-IBGZPJMESA-N 2 1 320.452 3.367 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941061 1092602684 /nfs/dbraw/zinc/60/26/84/1092602684.db2.gz WVGGDGPCILVEIN-VJANTYMQSA-N 2 1 302.437 3.331 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941061 1092602690 /nfs/dbraw/zinc/60/26/90/1092602690.db2.gz WVGGDGPCILVEIN-VJANTYMQSA-N 2 1 302.437 3.331 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941061 1092602696 /nfs/dbraw/zinc/60/26/96/1092602696.db2.gz WVGGDGPCILVEIN-VJANTYMQSA-N 2 1 302.437 3.331 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208942355 1092603133 /nfs/dbraw/zinc/60/31/33/1092603133.db2.gz PPLOSEXCFQRJOO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208942355 1092603124 /nfs/dbraw/zinc/60/31/24/1092603124.db2.gz PPLOSEXCFQRJOO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208942355 1092603129 /nfs/dbraw/zinc/60/31/29/1092603129.db2.gz PPLOSEXCFQRJOO-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC[C@]4(CCO4)C3)C2)cc1 ZINC001208940259 1092603502 /nfs/dbraw/zinc/60/35/02/1092603502.db2.gz QPNORQBOSVCWNZ-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC[C@]4(CCO4)C3)C2)cc1 ZINC001208940259 1092603507 /nfs/dbraw/zinc/60/35/07/1092603507.db2.gz QPNORQBOSVCWNZ-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC[C@]4(CCO4)C3)C2)cc1 ZINC001208940259 1092603510 /nfs/dbraw/zinc/60/35/10/1092603510.db2.gz QPNORQBOSVCWNZ-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H](c4cccnc4)C3)C2)cc1 ZINC001208947227 1092604678 /nfs/dbraw/zinc/60/46/78/1092604678.db2.gz AAIFLJVEFCQWJS-CTNGQTDRSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H](c4cccnc4)C3)C2)cc1 ZINC001208947227 1092604683 /nfs/dbraw/zinc/60/46/83/1092604683.db2.gz AAIFLJVEFCQWJS-CTNGQTDRSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@H](c4cccnc4)C3)C2)cc1 ZINC001208947234 1092605330 /nfs/dbraw/zinc/60/53/30/1092605330.db2.gz AAIFLJVEFCQWJS-TZIWHRDSSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@H](c4cccnc4)C3)C2)cc1 ZINC001208947234 1092605336 /nfs/dbraw/zinc/60/53/36/1092605336.db2.gz AAIFLJVEFCQWJS-TZIWHRDSSA-N 2 1 321.468 3.393 20 0 DGADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948086 1092606069 /nfs/dbraw/zinc/60/60/69/1092606069.db2.gz NOROBWIPRWMBCQ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948086 1092606072 /nfs/dbraw/zinc/60/60/72/1092606072.db2.gz NOROBWIPRWMBCQ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948086 1092606074 /nfs/dbraw/zinc/60/60/74/1092606074.db2.gz NOROBWIPRWMBCQ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC001208948086 1092606076 /nfs/dbraw/zinc/60/60/76/1092606076.db2.gz NOROBWIPRWMBCQ-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H](c4ccccn4)C3)C2)cc1 ZINC001208949654 1092607809 /nfs/dbraw/zinc/60/78/09/1092607809.db2.gz MWFSYFFJVBAGMH-PMACEKPBSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H](c4ccccn4)C3)C2)cc1 ZINC001208949654 1092607814 /nfs/dbraw/zinc/60/78/14/1092607814.db2.gz MWFSYFFJVBAGMH-PMACEKPBSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H](c4ccccn4)C3)C2)cc1 ZINC001208949654 1092607820 /nfs/dbraw/zinc/60/78/20/1092607820.db2.gz MWFSYFFJVBAGMH-PMACEKPBSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208950614 1092608127 /nfs/dbraw/zinc/60/81/27/1092608127.db2.gz VTRPLKMGMCTFTM-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208950614 1092608130 /nfs/dbraw/zinc/60/81/30/1092608130.db2.gz VTRPLKMGMCTFTM-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208950614 1092608135 /nfs/dbraw/zinc/60/81/35/1092608135.db2.gz VTRPLKMGMCTFTM-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP CC[NH+]1CCC([NH2+]C2(Cc3ccccc3OC)CCC2)CC1 ZINC001169240051 1092611716 /nfs/dbraw/zinc/61/17/16/1092611716.db2.gz CELDTZFJWWRXCD-UHFFFAOYSA-N 2 1 302.462 3.234 20 0 DGADMP CC[NH+]1CCC([NH2+]C2(Cc3ccc(OC)cc3)CCC2)CC1 ZINC001169242202 1092614054 /nfs/dbraw/zinc/61/40/54/1092614054.db2.gz YXKIRXRBWVFXBP-UHFFFAOYSA-N 2 1 302.462 3.234 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001206005853 1092628317 /nfs/dbraw/zinc/62/83/17/1092628317.db2.gz ZABQHHYWNYHOIG-STQMWFEESA-N 2 1 312.889 3.213 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209076075 1092642548 /nfs/dbraw/zinc/64/25/48/1092642548.db2.gz BYFFCNJWMZPOEH-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209076075 1092642553 /nfs/dbraw/zinc/64/25/53/1092642553.db2.gz BYFFCNJWMZPOEH-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276630954 1092729720 /nfs/dbraw/zinc/72/97/20/1092729720.db2.gz DXNHEEUBVPDWND-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276630954 1092729727 /nfs/dbraw/zinc/72/97/27/1092729727.db2.gz DXNHEEUBVPDWND-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276630954 1092729728 /nfs/dbraw/zinc/72/97/28/1092729728.db2.gz DXNHEEUBVPDWND-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276630954 1092729734 /nfs/dbraw/zinc/72/97/34/1092729734.db2.gz DXNHEEUBVPDWND-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC001209413339 1092764108 /nfs/dbraw/zinc/76/41/08/1092764108.db2.gz KFNGXCCRMGNRGA-PBHICJAKSA-N 2 1 317.477 3.378 20 0 DGADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC001276647089 1092796931 /nfs/dbraw/zinc/79/69/31/1092796931.db2.gz XOUXYJVVRMWNCZ-FQEVSTJZSA-N 2 1 321.553 3.306 20 0 DGADMP Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)[nH]1 ZINC001209571272 1092831446 /nfs/dbraw/zinc/83/14/46/1092831446.db2.gz BXGSAXSQTLBSGJ-KDURUIRLSA-N 2 1 309.457 3.195 20 0 DGADMP CC1(C)C[C@@H](C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)CCO1 ZINC001276670392 1092895368 /nfs/dbraw/zinc/89/53/68/1092895368.db2.gz BZYSXNBYRQGTSE-INIZCTEOSA-N 2 1 306.494 3.142 20 0 DGADMP CC1(C)C[C@@H](C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)CCO1 ZINC001276670392 1092895377 /nfs/dbraw/zinc/89/53/77/1092895377.db2.gz BZYSXNBYRQGTSE-INIZCTEOSA-N 2 1 306.494 3.142 20 0 DGADMP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC001209781060 1092920621 /nfs/dbraw/zinc/92/06/21/1092920621.db2.gz DDKSEUUHLQXSHG-QGZVFWFLSA-N 2 1 311.429 3.109 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1N1CCCC1)C2 ZINC001276678161 1093037173 /nfs/dbraw/zinc/03/71/73/1093037173.db2.gz AMRJLOOCHSQWAS-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1N1CCCC1)C2 ZINC001276678161 1093037179 /nfs/dbraw/zinc/03/71/79/1093037179.db2.gz AMRJLOOCHSQWAS-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1N1CCCC1)C2 ZINC001276678161 1093037185 /nfs/dbraw/zinc/03/71/85/1093037185.db2.gz AMRJLOOCHSQWAS-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1N1CCCC1)C2 ZINC001276678161 1093037192 /nfs/dbraw/zinc/03/71/92/1093037192.db2.gz AMRJLOOCHSQWAS-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)nc2ccccc12 ZINC001210261798 1093100649 /nfs/dbraw/zinc/10/06/49/1093100649.db2.gz GYXDMDUDEOAHSA-UHFFFAOYSA-N 2 1 319.412 3.091 20 0 DGADMP Fc1c(Cl)ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1F ZINC001210267175 1093101352 /nfs/dbraw/zinc/10/13/52/1093101352.db2.gz VXHCEDVQYCBACO-UHFFFAOYSA-N 2 1 324.762 3.166 20 0 DGADMP C[C@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)CC[NH2+]1 ZINC001210497299 1093189191 /nfs/dbraw/zinc/18/91/91/1093189191.db2.gz NCUHCGUSWVGERM-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC[NH2+]1 ZINC001210497299 1093189198 /nfs/dbraw/zinc/18/91/98/1093189198.db2.gz NCUHCGUSWVGERM-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP Cc1[nH+]c2c(Nc3cnn(C4CC[NH+](C)CC4)c3)cccn2c1C ZINC001210753185 1093271210 /nfs/dbraw/zinc/27/12/10/1093271210.db2.gz DOTMBRGZCWFESP-UHFFFAOYSA-N 2 1 324.432 3.158 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(CC1CC[NH+](C)CC1)C2 ZINC001276695845 1093408702 /nfs/dbraw/zinc/40/87/02/1093408702.db2.gz GVLISZIRQGYENV-SFHVURJKSA-N 2 1 321.553 3.305 20 0 DGADMP Fc1ccnc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001276698442 1093496931 /nfs/dbraw/zinc/49/69/31/1093496931.db2.gz NXLDNLTZUSWMHZ-UHFFFAOYSA-N 2 1 303.425 3.061 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276726914 1094027133 /nfs/dbraw/zinc/02/71/33/1094027133.db2.gz NSWAYGLDLBOGHZ-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP CCc1onc(C)c1CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812336 1094292553 /nfs/dbraw/zinc/29/25/53/1094292553.db2.gz QAFSPFGVYCRBHV-HIFRSBDPSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812336 1094292564 /nfs/dbraw/zinc/29/25/64/1094292564.db2.gz QAFSPFGVYCRBHV-HIFRSBDPSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812336 1094292573 /nfs/dbraw/zinc/29/25/73/1094292573.db2.gz QAFSPFGVYCRBHV-HIFRSBDPSA-N 2 1 305.466 3.288 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@H]2CC[N@@H+]4CCC[C@@H]4C2)[nH+]1)CCCC3 ZINC001120015477 1094349232 /nfs/dbraw/zinc/34/92/32/1094349232.db2.gz XTKCHPZOEOLLRI-UONOGXRCSA-N 2 1 310.445 3.480 20 0 DGADMP c1cc2c3c([nH]c2c(N[C@H]2CC[N@H+]4CCC[C@@H]4C2)[nH+]1)CCCC3 ZINC001120015477 1094349239 /nfs/dbraw/zinc/34/92/39/1094349239.db2.gz XTKCHPZOEOLLRI-UONOGXRCSA-N 2 1 310.445 3.480 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2C1 ZINC001120072633 1094372541 /nfs/dbraw/zinc/37/25/41/1094372541.db2.gz YKDICIIEDBCGJL-ZHALLVOQSA-N 2 1 324.472 3.239 20 0 DGADMP [NH3+]CCC[C@H]([NH3+])c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217695360 1094474676 /nfs/dbraw/zinc/47/46/76/1094474676.db2.gz IRMKLIJARNSHRC-INIZCTEOSA-N 2 1 308.385 3.142 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(-c2cccc(Cl)c2)o1 ZINC001217713732 1094481490 /nfs/dbraw/zinc/48/14/90/1094481490.db2.gz XMXGVDMXRDAHHC-ZDUSSCGKSA-N 2 1 308.813 3.122 20 0 DGADMP CC(C)[C@H]([NH3+])CO[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001217849986 1094504650 /nfs/dbraw/zinc/50/46/50/1094504650.db2.gz PWXDMLIFAXQPRF-QZTJIDSGSA-N 2 1 304.478 3.287 20 0 DGADMP [NH3+][C@H]1CC[C@H](CO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001217912303 1094516290 /nfs/dbraw/zinc/51/62/90/1094516290.db2.gz UUNINVFLBYMWOK-SZMVWBNQSA-N 2 1 322.880 3.448 20 0 DGADMP Cc1c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2c1CC[NH2+]C2 ZINC001217946624 1094525411 /nfs/dbraw/zinc/52/54/11/1094525411.db2.gz QBZCBNJBFUEOKS-LJQANCHMSA-N 2 1 322.452 3.294 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217967352 1094533670 /nfs/dbraw/zinc/53/36/70/1094533670.db2.gz REYJCKUPSNWSKH-LAUBAEHRSA-N 2 1 324.468 3.477 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1C[NH3+] ZINC001217968207 1094533949 /nfs/dbraw/zinc/53/39/49/1094533949.db2.gz XNGITQGVECXJDL-OXJNMPFZSA-N 2 1 310.441 3.435 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001336754199 1094723241 /nfs/dbraw/zinc/72/32/41/1094723241.db2.gz CFVKMLAKXBSCDV-IBGZPJMESA-N 2 1 300.446 3.193 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001336811672 1094745607 /nfs/dbraw/zinc/74/56/07/1094745607.db2.gz PWXMBIVAIZVZDH-JXFKEZNVSA-N 2 1 312.457 3.195 20 0 DGADMP [NH3+]Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001218410609 1094761072 /nfs/dbraw/zinc/76/10/72/1094761072.db2.gz GRWFHNNOGYGNRS-QGZVFWFLSA-N 2 1 316.832 3.452 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135980551 1094773440 /nfs/dbraw/zinc/77/34/40/1094773440.db2.gz QAYQEDRPKXBUJN-HZPDHXFCSA-N 2 1 313.530 3.027 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)C ZINC001135996204 1094785871 /nfs/dbraw/zinc/78/58/71/1094785871.db2.gz QYGPPNGLRTYPRE-IRXDYDNUSA-N 2 1 313.530 3.027 20 0 DGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001170877765 1094792134 /nfs/dbraw/zinc/79/21/34/1094792134.db2.gz GTACJUUPMGLFFU-HOTGVXAUSA-N 2 1 322.497 3.070 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc2c1C[NH2+]C2 ZINC001218484912 1094808599 /nfs/dbraw/zinc/80/85/99/1094808599.db2.gz LEGXDRSEUQKHKS-YWZLYKJASA-N 2 1 308.425 3.189 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001121909517 1094822410 /nfs/dbraw/zinc/82/24/10/1094822410.db2.gz UEJJOEXZPWITLJ-WMZOPIPTSA-N 2 1 323.525 3.055 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001121909516 1094822630 /nfs/dbraw/zinc/82/26/30/1094822630.db2.gz UEJJOEXZPWITLJ-SJLPKXTDSA-N 2 1 323.525 3.055 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001121909515 1094823570 /nfs/dbraw/zinc/82/35/70/1094823570.db2.gz UEJJOEXZPWITLJ-FUHWJXTLSA-N 2 1 323.525 3.055 20 0 DGADMP Cc1cc(NCC[C@@H](C)[NH3+])nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001170887338 1094879533 /nfs/dbraw/zinc/87/95/33/1094879533.db2.gz UCEFQSMBUUGPAN-MRXNPFEDSA-N 2 1 324.472 3.098 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170897255 1094896775 /nfs/dbraw/zinc/89/67/75/1094896775.db2.gz NXOIWEOAZMOOJD-LVQVYYBASA-N 2 1 304.865 3.412 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000311221656 1094952892 /nfs/dbraw/zinc/95/28/92/1094952892.db2.gz OHUGTYQTVMZRLL-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000311221656 1094952903 /nfs/dbraw/zinc/95/29/03/1094952903.db2.gz OHUGTYQTVMZRLL-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000314204053 1095039670 /nfs/dbraw/zinc/03/96/70/1095039670.db2.gz NUVJHNCTWCYYNF-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000314204053 1095039683 /nfs/dbraw/zinc/03/96/83/1095039683.db2.gz NUVJHNCTWCYYNF-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170996326 1095100580 /nfs/dbraw/zinc/10/05/80/1095100580.db2.gz KTLZNYYIMCDXHQ-KRWDZBQOSA-N 2 1 304.453 3.489 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316697462 1095187106 /nfs/dbraw/zinc/18/71/06/1095187106.db2.gz AUFWPVMDQDIURF-OTWHNJEPSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000316697462 1095187112 /nfs/dbraw/zinc/18/71/12/1095187112.db2.gz AUFWPVMDQDIURF-OTWHNJEPSA-N 2 1 302.462 3.227 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cccc4Cl)[nH]3)C[C@@H]2C1 ZINC001136859291 1095202043 /nfs/dbraw/zinc/20/20/43/1095202043.db2.gz IXAUMRVFFLLPBQ-OLZOCXBDSA-N 2 1 303.837 3.205 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cccc4Cl)[nH]3)C[C@@H]2C1 ZINC001136859291 1095202055 /nfs/dbraw/zinc/20/20/55/1095202055.db2.gz IXAUMRVFFLLPBQ-OLZOCXBDSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cccc4Cl)[nH]3)C[C@@H]2C1 ZINC001136859291 1095202064 /nfs/dbraw/zinc/20/20/64/1095202064.db2.gz IXAUMRVFFLLPBQ-OLZOCXBDSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cccc4Cl)[nH]3)C[C@@H]2C1 ZINC001136859291 1095202075 /nfs/dbraw/zinc/20/20/75/1095202075.db2.gz IXAUMRVFFLLPBQ-OLZOCXBDSA-N 2 1 303.837 3.205 20 0 DGADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056015 1095213252 /nfs/dbraw/zinc/21/32/52/1095213252.db2.gz JOSHNGFMCYXRPU-VKJFTORMSA-N 2 1 304.865 3.223 20 0 DGADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171057669 1095218644 /nfs/dbraw/zinc/21/86/44/1095218644.db2.gz DTRBWPJIUYVCJI-LBPRGKRZSA-N 2 1 310.228 3.421 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276822742 1095267321 /nfs/dbraw/zinc/26/73/21/1095267321.db2.gz NOTANOUACXTBEO-CALCHBBNSA-N 2 1 316.493 3.113 20 0 DGADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276822742 1095267327 /nfs/dbraw/zinc/26/73/27/1095267327.db2.gz NOTANOUACXTBEO-CALCHBBNSA-N 2 1 316.493 3.113 20 0 DGADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276822742 1095267345 /nfs/dbraw/zinc/26/73/45/1095267345.db2.gz NOTANOUACXTBEO-CALCHBBNSA-N 2 1 316.493 3.113 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535097 1095269115 /nfs/dbraw/zinc/26/91/15/1095269115.db2.gz JROAQAZKCNUFKV-KRWDZBQOSA-N 2 1 323.525 3.068 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579587 1095285671 /nfs/dbraw/zinc/28/56/71/1095285671.db2.gz VVGGVOZZZFNMSO-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3[nH]cnc3c2)CC1 ZINC001137045712 1095305156 /nfs/dbraw/zinc/30/51/56/1095305156.db2.gz RZRZRVSNGLLSJV-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc3nc[nH]c3c2)CC1 ZINC001137045712 1095305170 /nfs/dbraw/zinc/30/51/70/1095305170.db2.gz RZRZRVSNGLLSJV-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3nc[nH]c3c2)CC1 ZINC001137045712 1095305184 /nfs/dbraw/zinc/30/51/84/1095305184.db2.gz RZRZRVSNGLLSJV-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP Clc1ccc2[nH]cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222142244 1095454023 /nfs/dbraw/zinc/45/40/23/1095454023.db2.gz YTUYMIDOXPHODC-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222142244 1095454027 /nfs/dbraw/zinc/45/40/27/1095454027.db2.gz YTUYMIDOXPHODC-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001222149283 1095458763 /nfs/dbraw/zinc/45/87/63/1095458763.db2.gz XFQALJAQGZCOJE-OAQYLSRUSA-N 2 1 323.484 3.481 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149078 1095459701 /nfs/dbraw/zinc/45/97/01/1095459701.db2.gz WKHCIMZKRUJEPX-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149078 1095459704 /nfs/dbraw/zinc/45/97/04/1095459704.db2.gz WKHCIMZKRUJEPX-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnc2[nH]1 ZINC001222160307 1095466957 /nfs/dbraw/zinc/46/69/57/1095466957.db2.gz FCEASNYNZRQHQD-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160755 1095467429 /nfs/dbraw/zinc/46/74/29/1095467429.db2.gz ILYBOJDJJGQJJE-FQEVSTJZSA-N 2 1 324.472 3.376 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160755 1095467437 /nfs/dbraw/zinc/46/74/37/1095467437.db2.gz ILYBOJDJJGQJJE-FQEVSTJZSA-N 2 1 324.472 3.376 20 0 DGADMP c1ccc2nc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160247 1095467546 /nfs/dbraw/zinc/46/75/46/1095467546.db2.gz DBSVQIBLKRYQRH-HXUWFJFHSA-N 2 1 324.472 3.376 20 0 DGADMP c1ccc2nc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160247 1095467551 /nfs/dbraw/zinc/46/75/51/1095467551.db2.gz DBSVQIBLKRYQRH-HXUWFJFHSA-N 2 1 324.472 3.376 20 0 DGADMP CCCn1ncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1C ZINC001222160240 1095467662 /nfs/dbraw/zinc/46/76/62/1095467662.db2.gz CXAOEYLKWYFAAL-IBGZPJMESA-N 2 1 318.509 3.347 20 0 DGADMP CCCn1ncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1C ZINC001222160240 1095467667 /nfs/dbraw/zinc/46/76/67/1095467667.db2.gz CXAOEYLKWYFAAL-IBGZPJMESA-N 2 1 318.509 3.347 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1O ZINC001222162059 1095468843 /nfs/dbraw/zinc/46/88/43/1095468843.db2.gz WWZRXFCNTYLGON-LJQANCHMSA-N 2 1 318.461 3.147 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161859 1095469243 /nfs/dbraw/zinc/46/92/43/1095469243.db2.gz RQVXIOXAPQGFSM-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161859 1095469247 /nfs/dbraw/zinc/46/92/47/1095469247.db2.gz RQVXIOXAPQGFSM-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1ccc2c(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)n[nH]c2c1 ZINC001222161859 1095469255 /nfs/dbraw/zinc/46/92/55/1095469255.db2.gz RQVXIOXAPQGFSM-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1ccc2c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)n[nH]c2c1 ZINC001222161859 1095469258 /nfs/dbraw/zinc/46/92/58/1095469258.db2.gz RQVXIOXAPQGFSM-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC001144031101 1095471903 /nfs/dbraw/zinc/47/19/03/1095471903.db2.gz ZYLPCSSLFNCQBE-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCOc1ncccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167227 1095473804 /nfs/dbraw/zinc/47/38/04/1095473804.db2.gz IIMLCVPNARYOKE-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1ncccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167227 1095473809 /nfs/dbraw/zinc/47/38/09/1095473809.db2.gz IIMLCVPNARYOKE-LJQANCHMSA-N 2 1 317.477 3.226 20 0 DGADMP c1cc2n(c1C[N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)CCC2 ZINC001222171376 1095476364 /nfs/dbraw/zinc/47/63/64/1095476364.db2.gz APFRMFIYJPTQSH-LJQANCHMSA-N 2 1 301.478 3.180 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]c2cccnc12 ZINC001222168302 1095476543 /nfs/dbraw/zinc/47/65/43/1095476543.db2.gz ZYLPQQAVCACBGK-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]c2cccnc12 ZINC001222168302 1095476548 /nfs/dbraw/zinc/47/65/48/1095476548.db2.gz ZYLPQQAVCACBGK-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001222186618 1095482663 /nfs/dbraw/zinc/48/26/63/1095482663.db2.gz NRYDOXLHRLFUGH-UHFFFAOYSA-N 2 1 322.452 3.308 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001222191071 1095484644 /nfs/dbraw/zinc/48/46/44/1095484644.db2.gz ITIKMHFXGAAQQH-AZUAARDMSA-N 2 1 320.521 3.482 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001222191071 1095484653 /nfs/dbraw/zinc/48/46/53/1095484653.db2.gz ITIKMHFXGAAQQH-AZUAARDMSA-N 2 1 320.521 3.482 20 0 DGADMP Fc1ccc(Cl)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c1Cl ZINC001222203719 1095491493 /nfs/dbraw/zinc/49/14/93/1095491493.db2.gz LAIROTBAAQEYIV-UHFFFAOYSA-N 2 1 303.208 3.318 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CCC[C@]34CCC[NH2+]C4)CC2)cc1 ZINC001222230597 1095501416 /nfs/dbraw/zinc/50/14/16/1095501416.db2.gz BHWAKMBONAPEBS-FQEVSTJZSA-N 2 1 313.489 3.121 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246540367 1095505572 /nfs/dbraw/zinc/50/55/72/1095505572.db2.gz GQCYFVOKKAQUEF-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246540367 1095505585 /nfs/dbraw/zinc/50/55/85/1095505585.db2.gz GQCYFVOKKAQUEF-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237014 1095506005 /nfs/dbraw/zinc/50/60/05/1095506005.db2.gz DCRIKKDEONCSJY-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237014 1095506019 /nfs/dbraw/zinc/50/60/19/1095506019.db2.gz DCRIKKDEONCSJY-INIZCTEOSA-N 2 1 312.379 3.466 20 0 DGADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171139574 1095514211 /nfs/dbraw/zinc/51/42/11/1095514211.db2.gz OPKWXRINQBYART-SMDDNHRTSA-N 2 1 313.272 3.392 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222264525 1095519838 /nfs/dbraw/zinc/51/98/38/1095519838.db2.gz DDYPXDQFVNIRLI-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC ZINC001222264525 1095519851 /nfs/dbraw/zinc/51/98/51/1095519851.db2.gz DDYPXDQFVNIRLI-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001144149996 1095537396 /nfs/dbraw/zinc/53/73/96/1095537396.db2.gz CKRSOYBURZFOAP-IBGZPJMESA-N 2 1 302.462 3.045 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001144149996 1095537397 /nfs/dbraw/zinc/53/73/97/1095537397.db2.gz CKRSOYBURZFOAP-IBGZPJMESA-N 2 1 302.462 3.045 20 0 DGADMP CCc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(CC)c1O ZINC001144149996 1095537402 /nfs/dbraw/zinc/53/74/02/1095537402.db2.gz CKRSOYBURZFOAP-IBGZPJMESA-N 2 1 302.462 3.045 20 0 DGADMP CCc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(CC)c1O ZINC001144149996 1095537404 /nfs/dbraw/zinc/53/74/04/1095537404.db2.gz CKRSOYBURZFOAP-IBGZPJMESA-N 2 1 302.462 3.045 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccn1 ZINC001222316830 1095547890 /nfs/dbraw/zinc/54/78/90/1095547890.db2.gz ZDSLSKRZZITNEZ-IBGZPJMESA-N 2 1 301.478 3.487 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222321315 1095550439 /nfs/dbraw/zinc/55/04/39/1095550439.db2.gz SPMJGQVERHHPRB-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390697 1095588687 /nfs/dbraw/zinc/58/86/87/1095588687.db2.gz UBHLHDHQCBNOSN-HXUWFJFHSA-N 2 1 324.472 3.289 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465422 1095627675 /nfs/dbraw/zinc/62/76/75/1095627675.db2.gz OTOYIDBRHFGBIS-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465422 1095627679 /nfs/dbraw/zinc/62/76/79/1095627679.db2.gz OTOYIDBRHFGBIS-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP C[NH+]1CCC(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001222503602 1095642908 /nfs/dbraw/zinc/64/29/08/1095642908.db2.gz BUZHTXSGILEVAL-RUYXUALKSA-N 2 1 314.473 3.293 20 0 DGADMP COc1c(Cl)cc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1Cl ZINC001222538573 1095657425 /nfs/dbraw/zinc/65/74/25/1095657425.db2.gz PAJSACAODKYDJP-UHFFFAOYSA-N 2 1 321.223 3.265 20 0 DGADMP Fc1ccc(CC[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596025 1095682690 /nfs/dbraw/zinc/68/26/90/1095682690.db2.gz OOJBFWJKCZWKAX-LJQANCHMSA-N 2 1 310.416 3.057 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C ZINC001222596650 1095682781 /nfs/dbraw/zinc/68/27/81/1095682781.db2.gz ZMJLDYGUDIYOPV-FQEVSTJZSA-N 2 1 306.453 3.492 20 0 DGADMP c1ccc([C@@H]2C[N@H+](CC3Cc4ccccc4C3)CC23C[NH2+]C3)cc1 ZINC001222595788 1095682979 /nfs/dbraw/zinc/68/29/79/1095682979.db2.gz JGMVCCUIQPDKQM-NRFANRHFSA-N 2 1 318.464 3.090 20 0 DGADMP Cc1c(F)cccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595777 1095683743 /nfs/dbraw/zinc/68/37/43/1095683743.db2.gz IZLMQOKSBDBCCC-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1c(F)cccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595777 1095683750 /nfs/dbraw/zinc/68/37/50/1095683750.db2.gz IZLMQOKSBDBCCC-SFHVURJKSA-N 2 1 310.416 3.323 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602730 1095688394 /nfs/dbraw/zinc/68/83/94/1095688394.db2.gz YFXYBUSEMDAGBP-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602730 1095688398 /nfs/dbraw/zinc/68/83/98/1095688398.db2.gz YFXYBUSEMDAGBP-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP COc1cc(C)cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222609139 1095692181 /nfs/dbraw/zinc/69/21/81/1095692181.db2.gz LKTOYXIYZBARKA-FQEVSTJZSA-N 2 1 322.452 3.193 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623908 1095698588 /nfs/dbraw/zinc/69/85/88/1095698588.db2.gz PBKJZMAOCKNWLN-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC001222623892 1095698693 /nfs/dbraw/zinc/69/86/93/1095698693.db2.gz OTUGRPATDBCZIL-GASCZTMLSA-N 2 1 308.853 3.170 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2O1 ZINC001222629532 1095700069 /nfs/dbraw/zinc/70/00/69/1095700069.db2.gz LBXBLGXRAHALHX-HDICACEKSA-N 2 1 314.473 3.222 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222624057 1095700451 /nfs/dbraw/zinc/70/04/51/1095700451.db2.gz TVALAYMHDODSLF-QFBILLFUSA-N 2 1 302.462 3.274 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC001246588118 1095800527 /nfs/dbraw/zinc/80/05/27/1095800527.db2.gz WDCBXHWJKVDNMA-CABCVRRESA-N 2 1 311.267 3.412 20 0 DGADMP c1cn(-c2ccc(CN3CC4(CC[N@H+]4C4CCCC4)C3)cc2)cn1 ZINC001276872638 1095904962 /nfs/dbraw/zinc/90/49/62/1095904962.db2.gz JXAKCRKZIQKHRS-UHFFFAOYSA-N 2 1 322.456 3.075 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246834296 1096010194 /nfs/dbraw/zinc/01/01/94/1096010194.db2.gz UEOZMCHFJGDGCE-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001118815449 1096085081 /nfs/dbraw/zinc/08/50/81/1096085081.db2.gz JDJCRLGEANKFGG-ZDUSSCGKSA-N 2 1 319.836 3.234 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001171290929 1096129365 /nfs/dbraw/zinc/12/93/65/1096129365.db2.gz BYVJARCTELZMTA-UONOGXRCSA-N 2 1 322.880 3.137 20 0 DGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3nc(C4CC4)cs3)CC2)C1 ZINC001276952443 1096149753 /nfs/dbraw/zinc/14/97/53/1096149753.db2.gz KFJKWIQXAVUZDW-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3nc(C4CC4)cs3)CC2)C1 ZINC001276952443 1096149759 /nfs/dbraw/zinc/14/97/59/1096149759.db2.gz KFJKWIQXAVUZDW-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)O2)cc1 ZINC001119290360 1096154494 /nfs/dbraw/zinc/15/44/94/1096154494.db2.gz SRTMZJUIPFEUFS-MOPGFXCFSA-N 2 1 314.473 3.372 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC001119629876 1096236703 /nfs/dbraw/zinc/23/67/03/1096236703.db2.gz BIMBUJUAYAGUPX-MXSMSXNCSA-N 2 1 316.493 3.208 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688805 1096246037 /nfs/dbraw/zinc/24/60/37/1096246037.db2.gz KYRYFIQBYYBRCM-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688805 1096246040 /nfs/dbraw/zinc/24/60/40/1096246040.db2.gz KYRYFIQBYYBRCM-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@H]([NH2+]CCSc1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119731275 1096252546 /nfs/dbraw/zinc/25/25/46/1096252546.db2.gz CRVXAIASSXODKD-HOTGVXAUSA-N 2 1 319.518 3.416 20 0 DGADMP COC/C(C)=C/C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001119734536 1096253568 /nfs/dbraw/zinc/25/35/68/1096253568.db2.gz HLCVVFPQULBGRJ-UDJPTTFLSA-N 2 1 316.489 3.325 20 0 DGADMP C[N@H+]1CCCC[C@H]1CO[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC001224706041 1096268669 /nfs/dbraw/zinc/26/86/69/1096268669.db2.gz IZEMDUUBILPGDU-ROUUACIJSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224706041 1096268675 /nfs/dbraw/zinc/26/86/75/1096268675.db2.gz IZEMDUUBILPGDU-ROUUACIJSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@H]1CO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224706041 1096268679 /nfs/dbraw/zinc/26/86/79/1096268679.db2.gz IZEMDUUBILPGDU-ROUUACIJSA-N 2 1 320.452 3.291 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCCC[NH+]3CCCC3)C2)cc1 ZINC001224744506 1096276310 /nfs/dbraw/zinc/27/63/10/1096276310.db2.gz NJLMJWMVQCNXTQ-LJQANCHMSA-N 2 1 302.462 3.154 20 0 DGADMP C[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001224830456 1096296187 /nfs/dbraw/zinc/29/61/87/1096296187.db2.gz OELPHBZHYNGRFT-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224830456 1096296193 /nfs/dbraw/zinc/29/61/93/1096296193.db2.gz OELPHBZHYNGRFT-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224830456 1096296201 /nfs/dbraw/zinc/29/62/01/1096296201.db2.gz OELPHBZHYNGRFT-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C)Cc1ccccc1N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277003475 1096299432 /nfs/dbraw/zinc/29/94/32/1096299432.db2.gz DOYKEGCVLQYGIB-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[NH+]1CCCCC1 ZINC001224858663 1096302114 /nfs/dbraw/zinc/30/21/14/1096302114.db2.gz FCKANYDEJCXKDQ-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001224929054 1096315648 /nfs/dbraw/zinc/31/56/48/1096315648.db2.gz ZDLDIOUPVRPENO-IEBWSBKVSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)CCCCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001224991235 1096330469 /nfs/dbraw/zinc/33/04/69/1096330469.db2.gz PQBYGOASRILPLQ-PMOLBWCYSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4c(F)cccc4C3)C2)CC1 ZINC001171439465 1096803558 /nfs/dbraw/zinc/80/35/58/1096803558.db2.gz ZOUDHRNWPMVLAV-MRXNPFEDSA-N 2 1 302.437 3.101 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171459928 1096891139 /nfs/dbraw/zinc/89/11/39/1096891139.db2.gz RGHQOWOYTPXAGH-WCXIOVBPSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171459928 1096891144 /nfs/dbraw/zinc/89/11/44/1096891144.db2.gz RGHQOWOYTPXAGH-WCXIOVBPSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171506168 1096913398 /nfs/dbraw/zinc/91/33/98/1096913398.db2.gz SRBSFBRPPZBXMD-CHWSQXEVSA-N 2 1 312.379 3.035 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513705 1096915177 /nfs/dbraw/zinc/91/51/77/1096915177.db2.gz XOLVWIANWIFCTM-STQMWFEESA-N 2 1 312.379 3.035 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3ccnn32)CC1(C)C ZINC001171624555 1096937523 /nfs/dbraw/zinc/93/75/23/1096937523.db2.gz WLPJXFFLJFASTL-UHFFFAOYSA-N 2 1 300.450 3.075 20 0 DGADMP CCCC[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171760838 1096965438 /nfs/dbraw/zinc/96/54/38/1096965438.db2.gz AVVLJWMTNOFORQ-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1C[C@@H](n2cc3ccc(C[NH3+])cc3n2)C[N@H+]1Cc1ccccc1 ZINC001171734598 1096971267 /nfs/dbraw/zinc/97/12/67/1096971267.db2.gz OUYNNKIXUOETCM-DNVCBOLYSA-N 2 1 320.440 3.331 20 0 DGADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171912100 1097000011 /nfs/dbraw/zinc/00/00/11/1097000011.db2.gz OCGRYKSHPBJOKT-UHFFFAOYSA-N 2 1 310.482 3.089 20 0 DGADMP COCC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967650 1097007519 /nfs/dbraw/zinc/00/75/19/1097007519.db2.gz MOYGMQDYJKIYAX-KRWDZBQOSA-N 2 1 304.478 3.444 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966475 1097008231 /nfs/dbraw/zinc/00/82/31/1097008231.db2.gz UZERMUZRNLCOJY-GOSISDBHSA-N 2 1 304.478 3.446 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171935780 1097011872 /nfs/dbraw/zinc/01/18/72/1097011872.db2.gz KFQOWLJUOJWTPV-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171935780 1097011878 /nfs/dbraw/zinc/01/18/78/1097011878.db2.gz KFQOWLJUOJWTPV-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](C(CC)CC)C2)CC1 ZINC001171944341 1097014355 /nfs/dbraw/zinc/01/43/55/1097014355.db2.gz NJLOENPEXBOHNC-WUJZJPHMSA-N 2 1 324.509 3.351 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C(CC)CC)C2)CC1 ZINC001171944341 1097014359 /nfs/dbraw/zinc/01/43/59/1097014359.db2.gz NJLOENPEXBOHNC-WUJZJPHMSA-N 2 1 324.509 3.351 20 0 DGADMP CN(Cc1cncnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991547 1097016372 /nfs/dbraw/zinc/01/63/72/1097016372.db2.gz ZWFOHVKJTLMVHH-LJQANCHMSA-N 2 1 324.472 3.352 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171970120 1097020580 /nfs/dbraw/zinc/02/05/80/1097020580.db2.gz YPKUXFOBBGYUHE-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@]1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171975210 1097023849 /nfs/dbraw/zinc/02/38/49/1097023849.db2.gz CTYOQKCPLZLYGH-HKUYNNGSSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975140 1097023927 /nfs/dbraw/zinc/02/39/27/1097023927.db2.gz LEBOEXSFDDGIBI-NEWSRXKRSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977458 1097025256 /nfs/dbraw/zinc/02/52/56/1097025256.db2.gz BGJFVBYQZYEWOH-GBESFXJTSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171979607 1097027753 /nfs/dbraw/zinc/02/77/53/1097027753.db2.gz PGRKQYHUOCIHLI-ICSRJNTNSA-N 2 1 316.489 3.446 20 0 DGADMP CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072754 1097037541 /nfs/dbraw/zinc/03/75/41/1097037541.db2.gz MVZBTDLJLPRQIS-WTGUMLROSA-N 2 1 316.489 3.323 20 0 DGADMP COC[C@@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172087256 1097039093 /nfs/dbraw/zinc/03/90/93/1097039093.db2.gz LEJNRYBUJFZVKW-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172087256 1097039113 /nfs/dbraw/zinc/03/91/13/1097039113.db2.gz LEJNRYBUJFZVKW-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172087256 1097039120 /nfs/dbraw/zinc/03/91/20/1097039120.db2.gz LEJNRYBUJFZVKW-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP [NH3+]CCc1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062918 1097043127 /nfs/dbraw/zinc/04/31/27/1097043127.db2.gz AMOYLIKHABTEOD-REPLKXPHSA-N 2 1 324.472 3.143 20 0 DGADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172064011 1097044877 /nfs/dbraw/zinc/04/48/77/1097044877.db2.gz DDSUUGRCCVIEOH-ACDBMABISA-N 2 1 324.472 3.095 20 0 DGADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172064011 1097044883 /nfs/dbraw/zinc/04/48/83/1097044883.db2.gz DDSUUGRCCVIEOH-ACDBMABISA-N 2 1 324.472 3.095 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124915 1097046676 /nfs/dbraw/zinc/04/66/76/1097046676.db2.gz MXRMMFRWPIRXJX-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124915 1097046683 /nfs/dbraw/zinc/04/66/83/1097046683.db2.gz MXRMMFRWPIRXJX-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124915 1097046689 /nfs/dbraw/zinc/04/66/89/1097046689.db2.gz MXRMMFRWPIRXJX-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(C[NH2+]Cc3ccccc3)n1)C2 ZINC001172127684 1097047129 /nfs/dbraw/zinc/04/71/29/1097047129.db2.gz JICZTVSXHFDUDA-ACDBMABISA-N 2 1 324.472 3.361 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(C[NH2+]Cc3ccccc3)n1)C2 ZINC001172127684 1097047134 /nfs/dbraw/zinc/04/71/34/1097047134.db2.gz JICZTVSXHFDUDA-ACDBMABISA-N 2 1 324.472 3.361 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)Cc1ccc(-n3ccnc3)cc1)C2 ZINC001172131758 1097050192 /nfs/dbraw/zinc/05/01/92/1097050192.db2.gz YMEWAKLTFOPXIV-PMOLBWCYSA-N 2 1 324.472 3.319 20 0 DGADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131758 1097050211 /nfs/dbraw/zinc/05/02/11/1097050211.db2.gz YMEWAKLTFOPXIV-PMOLBWCYSA-N 2 1 324.472 3.319 20 0 DGADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131758 1097050216 /nfs/dbraw/zinc/05/02/16/1097050216.db2.gz YMEWAKLTFOPXIV-PMOLBWCYSA-N 2 1 324.472 3.319 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)C2 ZINC001172101810 1097052696 /nfs/dbraw/zinc/05/26/96/1097052696.db2.gz BLBOXBQSARLVHO-ZSOGYDGISA-N 2 1 324.371 3.113 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)C2 ZINC001172101810 1097052699 /nfs/dbraw/zinc/05/26/99/1097052699.db2.gz BLBOXBQSARLVHO-ZSOGYDGISA-N 2 1 324.371 3.113 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172103411 1097053590 /nfs/dbraw/zinc/05/35/90/1097053590.db2.gz UJFCKKZEXYSORC-MXASKKJJSA-N 2 1 318.461 3.370 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172103411 1097053592 /nfs/dbraw/zinc/05/35/92/1097053592.db2.gz UJFCKKZEXYSORC-MXASKKJJSA-N 2 1 318.461 3.370 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172105065 1097054196 /nfs/dbraw/zinc/05/41/96/1097054196.db2.gz FYAAPXNOIPJTTI-FJIDUMEYSA-N 2 1 314.473 3.157 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172105065 1097054202 /nfs/dbraw/zinc/05/42/02/1097054202.db2.gz FYAAPXNOIPJTTI-FJIDUMEYSA-N 2 1 314.473 3.157 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172109416 1097056306 /nfs/dbraw/zinc/05/63/06/1097056306.db2.gz CYUHGYMFNNAIQA-PILAGYSTSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172109416 1097056312 /nfs/dbraw/zinc/05/63/12/1097056312.db2.gz CYUHGYMFNNAIQA-PILAGYSTSA-N 2 1 316.445 3.139 20 0 DGADMP COc1cc2c(cc1C)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172111205 1097056386 /nfs/dbraw/zinc/05/63/86/1097056386.db2.gz QQGVQZHKTQQERH-MKXGPGLRSA-N 2 1 314.473 3.076 20 0 DGADMP COc1cc2c(cc1C)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172111205 1097056390 /nfs/dbraw/zinc/05/63/90/1097056390.db2.gz QQGVQZHKTQQERH-MKXGPGLRSA-N 2 1 314.473 3.076 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109251 1097057319 /nfs/dbraw/zinc/05/73/19/1097057319.db2.gz JBSUQKFGZJESPH-NRSFXHEJSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109251 1097057323 /nfs/dbraw/zinc/05/73/23/1097057323.db2.gz JBSUQKFGZJESPH-NRSFXHEJSA-N 2 1 302.462 3.318 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001172112961 1097060012 /nfs/dbraw/zinc/06/00/12/1097060012.db2.gz HDZBKJMWVGYEOX-ZSBIGDGJSA-N 2 1 302.340 3.403 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001172112961 1097060009 /nfs/dbraw/zinc/06/00/09/1097060009.db2.gz HDZBKJMWVGYEOX-ZSBIGDGJSA-N 2 1 302.340 3.403 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172113287 1097060084 /nfs/dbraw/zinc/06/00/84/1097060084.db2.gz BTTTYKVDWURUPR-RCJHGTSTSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172113287 1097060090 /nfs/dbraw/zinc/06/00/90/1097060090.db2.gz BTTTYKVDWURUPR-RCJHGTSTSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(CC3CC3)CCOCC1)C2 ZINC001172112526 1097060195 /nfs/dbraw/zinc/06/01/95/1097060195.db2.gz WXTFWDLYHFFVBP-NNZMDNLPSA-N 2 1 306.494 3.188 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116234 1097060607 /nfs/dbraw/zinc/06/06/07/1097060607.db2.gz YSFXLQMLQCWYCJ-REPLKXPHSA-N 3 1 307.526 3.103 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172116234 1097060612 /nfs/dbraw/zinc/06/06/12/1097060612.db2.gz YSFXLQMLQCWYCJ-REPLKXPHSA-N 2 1 307.526 3.103 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114014 1097061658 /nfs/dbraw/zinc/06/16/58/1097061658.db2.gz NTXUMWYWFQGCSM-FJIDUMEYSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114014 1097061659 /nfs/dbraw/zinc/06/16/59/1097061659.db2.gz NTXUMWYWFQGCSM-FJIDUMEYSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114014 1097061665 /nfs/dbraw/zinc/06/16/65/1097061665.db2.gz NTXUMWYWFQGCSM-FJIDUMEYSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114014 1097061672 /nfs/dbraw/zinc/06/16/72/1097061672.db2.gz NTXUMWYWFQGCSM-FJIDUMEYSA-N 2 1 314.473 3.500 20 0 DGADMP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172119205 1097063119 /nfs/dbraw/zinc/06/31/19/1097063119.db2.gz VVRNXWOEYMFDAL-ZJPYXAASSA-N 2 1 322.493 3.103 20 0 DGADMP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172119205 1097063125 /nfs/dbraw/zinc/06/31/25/1097063125.db2.gz VVRNXWOEYMFDAL-ZJPYXAASSA-N 2 1 322.493 3.103 20 0 DGADMP COc1cccc2c(C[NH3+])cn([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c21 ZINC001172119441 1097064502 /nfs/dbraw/zinc/06/45/02/1097064502.db2.gz ZVEMHRPDLABCKY-ZSHCYNCHSA-N 2 1 313.445 3.296 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123515 1097066028 /nfs/dbraw/zinc/06/60/28/1097066028.db2.gz DKSBYBGEFDIIPF-ACDBMABISA-N 2 1 315.505 3.066 20 0 DGADMP CN(CC[NH+](C)Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123515 1097066034 /nfs/dbraw/zinc/06/60/34/1097066034.db2.gz DKSBYBGEFDIIPF-ACDBMABISA-N 2 1 315.505 3.066 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001172243410 1097089895 /nfs/dbraw/zinc/08/98/95/1097089895.db2.gz JZBIGRDOZDIOIM-UHFFFAOYSA-N 2 1 312.404 3.215 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccc(F)cc2)CC1 ZINC001172249365 1097091799 /nfs/dbraw/zinc/09/17/99/1097091799.db2.gz CWXZYRNGXKJCGB-UHFFFAOYSA-N 2 1 308.441 3.151 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172255728 1097093750 /nfs/dbraw/zinc/09/37/50/1097093750.db2.gz LYICZCYONVLPEV-UHFFFAOYSA-N 2 1 310.869 3.273 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172255728 1097093757 /nfs/dbraw/zinc/09/37/57/1097093757.db2.gz LYICZCYONVLPEV-UHFFFAOYSA-N 2 1 310.869 3.273 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172281244 1097102359 /nfs/dbraw/zinc/10/23/59/1097102359.db2.gz QMYIZQXEZBREDG-BRWVUGGUSA-N 2 1 320.452 3.465 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172372245 1097111100 /nfs/dbraw/zinc/11/11/00/1097111100.db2.gz DFKQMFLJHVGFSN-RNIPGJKVSA-N 2 1 308.510 3.386 20 0 DGADMP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172429898 1097139062 /nfs/dbraw/zinc/13/90/62/1097139062.db2.gz BBMXQUVUVWVYOW-QGZVFWFLSA-N 2 1 304.478 3.444 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172592501 1097189695 /nfs/dbraw/zinc/18/96/95/1097189695.db2.gz OAYZYXKAMCXRMS-DLBZAZTESA-N 2 1 312.498 3.210 20 0 DGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001228931397 1097219738 /nfs/dbraw/zinc/21/97/38/1097219738.db2.gz AUYXBBOVRYYQNK-KURKYZTESA-N 2 1 323.525 3.066 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172775079 1097237885 /nfs/dbraw/zinc/23/78/85/1097237885.db2.gz FGBYXFINGWBPLH-ZJPYXAASSA-N 2 1 324.509 3.336 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778193 1097239373 /nfs/dbraw/zinc/23/93/73/1097239373.db2.gz LGLFNNBTIAWHQA-ONIAQPFYSA-N 2 1 322.493 3.233 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001172781673 1097241279 /nfs/dbraw/zinc/24/12/79/1097241279.db2.gz XSFPRHGGVVKEKG-YESZJQIVSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001172781673 1097241282 /nfs/dbraw/zinc/24/12/82/1097241282.db2.gz XSFPRHGGVVKEKG-YESZJQIVSA-N 2 1 322.493 3.105 20 0 DGADMP C[NH+]1C(C)(C)CC(Oc2ccc(C(=[NH2+])NO)c(F)c2)CC1(C)C ZINC001229083167 1097252114 /nfs/dbraw/zinc/25/21/14/1097252114.db2.gz OETKYUPKAKRVRQ-UHFFFAOYSA-N 2 1 323.412 3.160 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172851466 1097261827 /nfs/dbraw/zinc/26/18/27/1097261827.db2.gz QXEYAZJKVALYNM-MJBXVCDLSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172851466 1097261832 /nfs/dbraw/zinc/26/18/32/1097261832.db2.gz QXEYAZJKVALYNM-MJBXVCDLSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172851466 1097261836 /nfs/dbraw/zinc/26/18/36/1097261836.db2.gz QXEYAZJKVALYNM-MJBXVCDLSA-N 2 1 310.844 3.294 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172874021 1097272462 /nfs/dbraw/zinc/27/24/62/1097272462.db2.gz ZQCAEZNUIWWGCW-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172874021 1097272467 /nfs/dbraw/zinc/27/24/67/1097272467.db2.gz ZQCAEZNUIWWGCW-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172874021 1097272470 /nfs/dbraw/zinc/27/24/70/1097272470.db2.gz ZQCAEZNUIWWGCW-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172874021 1097272475 /nfs/dbraw/zinc/27/24/75/1097272475.db2.gz ZQCAEZNUIWWGCW-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939185 1097287223 /nfs/dbraw/zinc/28/72/23/1097287223.db2.gz QAOXWOJHAGEVHM-LUKYLMHMSA-N 2 1 320.502 3.069 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172939090 1097287272 /nfs/dbraw/zinc/28/72/72/1097287272.db2.gz OFGOFOZYHOXNMJ-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172939090 1097287276 /nfs/dbraw/zinc/28/72/76/1097287276.db2.gz OFGOFOZYHOXNMJ-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172939090 1097287281 /nfs/dbraw/zinc/28/72/81/1097287281.db2.gz OFGOFOZYHOXNMJ-IYWMVGAKSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172942095 1097288316 /nfs/dbraw/zinc/28/83/16/1097288316.db2.gz IFZRZSLASIZRAX-HSALFYBXSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172942095 1097288319 /nfs/dbraw/zinc/28/83/19/1097288319.db2.gz IFZRZSLASIZRAX-HSALFYBXSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172942095 1097288324 /nfs/dbraw/zinc/28/83/24/1097288324.db2.gz IFZRZSLASIZRAX-HSALFYBXSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001173102457 1097329628 /nfs/dbraw/zinc/32/96/28/1097329628.db2.gz YGXSBPPDTBXEFU-VIQWUECVSA-N 3 1 309.542 3.494 20 0 DGADMP CCOC(=O)C1([NH2+]C2CCC([NH+](CC)CC)CC2)CCCC1 ZINC001173105560 1097330869 /nfs/dbraw/zinc/33/08/69/1097330869.db2.gz KAJXNYSQGHAELV-UHFFFAOYSA-N 2 1 310.482 3.105 20 0 DGADMP CCSC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299283 1097402873 /nfs/dbraw/zinc/40/28/73/1097402873.db2.gz UQXCVNCUYIVGNQ-BFYDXBDKSA-N 2 1 307.507 3.295 20 0 DGADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1SC ZINC001277430304 1097410540 /nfs/dbraw/zinc/41/05/40/1097410540.db2.gz UPISTNNSNYXMPA-IYBDPMFKSA-N 2 1 320.502 3.191 20 0 DGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1SC ZINC001277430304 1097410541 /nfs/dbraw/zinc/41/05/41/1097410541.db2.gz UPISTNNSNYXMPA-IYBDPMFKSA-N 2 1 320.502 3.191 20 0 DGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1SC ZINC001277430304 1097410543 /nfs/dbraw/zinc/41/05/43/1097410543.db2.gz UPISTNNSNYXMPA-IYBDPMFKSA-N 2 1 320.502 3.191 20 0 DGADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173347480 1097424821 /nfs/dbraw/zinc/42/48/21/1097424821.db2.gz DJLJMYBCOLKVEA-HZPDHXFCSA-N 2 1 310.482 3.140 20 0 DGADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173349189 1097424975 /nfs/dbraw/zinc/42/49/75/1097424975.db2.gz OUQYWZPLSDFBSC-CVEARBPZSA-N 2 1 310.482 3.140 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)CC[C@@H]1F ZINC001206209412 1097492083 /nfs/dbraw/zinc/49/20/83/1097492083.db2.gz FFEGATTWEZPGIX-KBPBESRZSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)CC[C@@H]1F ZINC001206209412 1097492086 /nfs/dbraw/zinc/49/20/86/1097492086.db2.gz FFEGATTWEZPGIX-KBPBESRZSA-N 2 1 305.422 3.071 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173690370 1097496546 /nfs/dbraw/zinc/49/65/46/1097496546.db2.gz RMGNQCIKPXTGSG-FUUYNRHESA-N 2 1 310.485 3.307 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173690370 1097496549 /nfs/dbraw/zinc/49/65/49/1097496549.db2.gz RMGNQCIKPXTGSG-FUUYNRHESA-N 2 1 310.485 3.307 20 0 DGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173710631 1097499466 /nfs/dbraw/zinc/49/94/66/1097499466.db2.gz ZJDXWFBDGPZLAD-MRXNPFEDSA-N 2 1 320.477 3.116 20 0 DGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173710631 1097499469 /nfs/dbraw/zinc/49/94/69/1097499469.db2.gz ZJDXWFBDGPZLAD-MRXNPFEDSA-N 2 1 320.477 3.116 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC001206214876 1097503977 /nfs/dbraw/zinc/50/39/77/1097503977.db2.gz GCTMAOANSMKFLU-ZACQAIPSSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCOc3ccccc3F)C2)C1 ZINC001277499761 1097700962 /nfs/dbraw/zinc/70/09/62/1097700962.db2.gz VUTGMIVKNSOXKU-IBGZPJMESA-N 2 1 320.452 3.402 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCCOc3ccccc3F)C2)C1 ZINC001277499761 1097700966 /nfs/dbraw/zinc/70/09/66/1097700966.db2.gz VUTGMIVKNSOXKU-IBGZPJMESA-N 2 1 320.452 3.402 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCCOc3ccccc3F)C2)C1 ZINC001277499761 1097700969 /nfs/dbraw/zinc/70/09/69/1097700969.db2.gz VUTGMIVKNSOXKU-IBGZPJMESA-N 2 1 320.452 3.402 20 0 DGADMP c1cc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ncc2[nH]1 ZINC001231668068 1097810596 /nfs/dbraw/zinc/81/05/96/1097810596.db2.gz KDYQFDOIWRLVTH-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP c1cc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ncc2[nH]1 ZINC001231668068 1097810603 /nfs/dbraw/zinc/81/06/03/1097810603.db2.gz KDYQFDOIWRLVTH-SFHVURJKSA-N 2 1 312.461 3.403 20 0 DGADMP c1[nH+]cn2c1cccc2CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277559684 1097829646 /nfs/dbraw/zinc/82/96/46/1097829646.db2.gz FRYPKNVNAJWOGV-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808841 1097851111 /nfs/dbraw/zinc/85/11/11/1097851111.db2.gz XHSZRMJGAIWASS-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808841 1097851118 /nfs/dbraw/zinc/85/11/18/1097851118.db2.gz XHSZRMJGAIWASS-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808841 1097851121 /nfs/dbraw/zinc/85/11/21/1097851121.db2.gz XHSZRMJGAIWASS-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001231808841 1097851126 /nfs/dbraw/zinc/85/11/26/1097851126.db2.gz XHSZRMJGAIWASS-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174881988 1097862759 /nfs/dbraw/zinc/86/27/59/1097862759.db2.gz NFTFGNTYVNWNNB-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP Cc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cnc1F ZINC001231926334 1097893625 /nfs/dbraw/zinc/89/36/25/1097893625.db2.gz UBAQNSQEFDXHMD-IRXDYDNUSA-N 2 1 305.441 3.368 20 0 DGADMP C[N@H+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1 ZINC001232013806 1097916845 /nfs/dbraw/zinc/91/68/45/1097916845.db2.gz FXLUBUVQPFGQTK-IBGZPJMESA-N 2 1 306.413 3.052 20 0 DGADMP COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014087 1097917872 /nfs/dbraw/zinc/91/78/72/1097917872.db2.gz JTFIDTMQVRJRBX-INIZCTEOSA-N 2 1 323.396 3.225 20 0 DGADMP CSc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001232328449 1098005939 /nfs/dbraw/zinc/00/59/39/1098005939.db2.gz IAAFWNJIBLCZPO-UHFFFAOYSA-N 2 1 307.507 3.356 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2c[nH]c(C)n2)CC1 ZINC001232461661 1098044320 /nfs/dbraw/zinc/04/43/20/1098044320.db2.gz CCFYQOQTIDAVIV-UHFFFAOYSA-N 2 1 312.461 3.205 20 0 DGADMP CN(C)c1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001175504466 1098073648 /nfs/dbraw/zinc/07/36/48/1098073648.db2.gz CHPKEZQVMHPEAK-UHFFFAOYSA-N 2 1 308.429 3.349 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cncc2cnccc21 ZINC001232651555 1098107584 /nfs/dbraw/zinc/10/75/84/1098107584.db2.gz ADFVZOWZBXKKRN-RBUKOAKNSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cncc2cnccc21 ZINC001232651555 1098107587 /nfs/dbraw/zinc/10/75/87/1098107587.db2.gz ADFVZOWZBXKKRN-RBUKOAKNSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4ncsc43)C2)CC1 ZINC001232735710 1098123413 /nfs/dbraw/zinc/12/34/13/1098123413.db2.gz RVLDWJPKGYWFKM-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232825472 1098145611 /nfs/dbraw/zinc/14/56/11/1098145611.db2.gz ZFEJOSNBBGVBHZ-UHFFFAOYSA-N 2 1 308.857 3.380 20 0 DGADMP Cc1cc(O)cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232882028 1098160424 /nfs/dbraw/zinc/16/04/24/1098160424.db2.gz NZZSMCGAWAAUCX-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1cc(O)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232882028 1098160430 /nfs/dbraw/zinc/16/04/30/1098160430.db2.gz NZZSMCGAWAAUCX-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1cc(O)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232882028 1098160436 /nfs/dbraw/zinc/16/04/36/1098160436.db2.gz NZZSMCGAWAAUCX-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1cc(O)cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232882028 1098160443 /nfs/dbraw/zinc/16/04/43/1098160443.db2.gz NZZSMCGAWAAUCX-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP Cc1cc(O)cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232882028 1098160447 /nfs/dbraw/zinc/16/04/47/1098160447.db2.gz NZZSMCGAWAAUCX-BGYRXZFFSA-N 2 1 322.452 3.264 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC001175965895 1098214030 /nfs/dbraw/zinc/21/40/30/1098214030.db2.gz SQMZCYJOCGEJDP-GOSISDBHSA-N 2 1 308.510 3.268 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2c1c[nH+]cn1C ZINC001277765861 1098233808 /nfs/dbraw/zinc/23/38/08/1098233808.db2.gz UUCVDPRRMXTTEC-ULQDDVLXSA-N 2 1 304.482 3.290 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(OCOC)c2)CC1 ZINC001233283770 1098274763 /nfs/dbraw/zinc/27/47/63/1098274763.db2.gz VBZWUCSWROJYKV-UHFFFAOYSA-N 2 1 320.477 3.366 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCOC)c2)CC1 ZINC001233283770 1098274768 /nfs/dbraw/zinc/27/47/68/1098274768.db2.gz VBZWUCSWROJYKV-UHFFFAOYSA-N 2 1 320.477 3.366 20 0 DGADMP Cn1c[nH+]c2cccc(Nc3ccc(OCC[NH+](C)C)cc3)c21 ZINC001176228772 1098290091 /nfs/dbraw/zinc/29/00/91/1098290091.db2.gz WABQFGONEJRTSE-UHFFFAOYSA-N 2 1 310.401 3.257 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176285730 1098301422 /nfs/dbraw/zinc/30/14/22/1098301422.db2.gz PYCFMNYMHBMSIC-INIZCTEOSA-N 2 1 313.530 3.029 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233446343 1098336466 /nfs/dbraw/zinc/33/64/66/1098336466.db2.gz RHQXHZVQDXUOSB-HOTGVXAUSA-N 2 1 315.848 3.272 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C ZINC001176759261 1098434166 /nfs/dbraw/zinc/43/41/66/1098434166.db2.gz HOSQUYSSFJFXRV-ZWKOTPCHSA-N 2 1 323.525 3.092 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)C(C)(C)C)Cc1ccccc12 ZINC001277845474 1098533163 /nfs/dbraw/zinc/53/31/63/1098533163.db2.gz VHAFNUOHLGBIPD-UHFFFAOYSA-N 2 1 314.473 3.081 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)C(C)(C)C)Cc1ccccc12 ZINC001277845474 1098533167 /nfs/dbraw/zinc/53/31/67/1098533167.db2.gz VHAFNUOHLGBIPD-UHFFFAOYSA-N 2 1 314.473 3.081 20 0 DGADMP CCC(=O)C[NH2+][C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001277851094 1098544613 /nfs/dbraw/zinc/54/46/13/1098544613.db2.gz BNTSWHJBQPDOQL-CABCVRRESA-N 2 1 320.399 3.333 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC001177803660 1098619689 /nfs/dbraw/zinc/61/96/89/1098619689.db2.gz CIJRTKAFKVCSLI-IBGZPJMESA-N 2 1 302.462 3.036 20 0 DGADMP Cc1[nH]c(CN(C)C2CC[NH+](C3CCCCC3)CC2)c(C)[nH+]1 ZINC001234662677 1098638838 /nfs/dbraw/zinc/63/88/38/1098638838.db2.gz OFVRXOIDMKVEAG-UHFFFAOYSA-N 2 1 304.482 3.255 20 0 DGADMP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001277892645 1098666538 /nfs/dbraw/zinc/66/65/38/1098666538.db2.gz AKMKUOSTERDMHH-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045756 1098685114 /nfs/dbraw/zinc/68/51/14/1098685114.db2.gz UOFCMWDPPQZOOD-QWNKOJSDSA-N 2 1 323.525 3.093 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206318340 1098727470 /nfs/dbraw/zinc/72/74/70/1098727470.db2.gz PMBKYHDQTSSAIB-QGZVFWFLSA-N 2 1 324.852 3.078 20 0 DGADMP CC(C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Sc1ccc(Cl)cc1 ZINC001234979069 1098732375 /nfs/dbraw/zinc/73/23/75/1098732375.db2.gz NPQDGADYWITDDA-BETUJISGSA-N 2 1 310.894 3.362 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234990730 1098736361 /nfs/dbraw/zinc/73/63/61/1098736361.db2.gz DSMYVHYEZHIFJP-HXUWFJFHSA-N 2 1 313.489 3.252 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234990730 1098736367 /nfs/dbraw/zinc/73/63/67/1098736367.db2.gz DSMYVHYEZHIFJP-HXUWFJFHSA-N 2 1 313.489 3.252 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)[nH]c2c1 ZINC001234998297 1098740963 /nfs/dbraw/zinc/74/09/63/1098740963.db2.gz HLFGWMADBXAMCP-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)[nH]c2c1 ZINC001234998297 1098740972 /nfs/dbraw/zinc/74/09/72/1098740972.db2.gz HLFGWMADBXAMCP-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235002816 1098745236 /nfs/dbraw/zinc/74/52/36/1098745236.db2.gz XMQCIOJZEAAXNU-HXUWFJFHSA-N 2 1 323.440 3.449 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235002816 1098745242 /nfs/dbraw/zinc/74/52/42/1098745242.db2.gz XMQCIOJZEAAXNU-HXUWFJFHSA-N 2 1 323.440 3.449 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235003310 1098746075 /nfs/dbraw/zinc/74/60/75/1098746075.db2.gz ZUAKASPZUXJFLX-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP CC(C)c1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235022893 1098754538 /nfs/dbraw/zinc/75/45/38/1098754538.db2.gz RFEYFDALGSIGKR-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235022893 1098754550 /nfs/dbraw/zinc/75/45/50/1098754550.db2.gz RFEYFDALGSIGKR-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235029878 1098758877 /nfs/dbraw/zinc/75/88/77/1098758877.db2.gz BODXEPUXCSCDRW-PZJWPPBQSA-N 2 1 321.468 3.213 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235029878 1098758887 /nfs/dbraw/zinc/75/88/87/1098758887.db2.gz BODXEPUXCSCDRW-PZJWPPBQSA-N 2 1 321.468 3.213 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032622 1098762279 /nfs/dbraw/zinc/76/22/79/1098762279.db2.gz SAKCIGYUWNWLON-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP C[C@@H](C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)c1cccc2ccccc21 ZINC001235035553 1098764057 /nfs/dbraw/zinc/76/40/57/1098764057.db2.gz FMAKEUIBZITADK-YRISNDGFSA-N 2 1 324.468 3.254 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042227 1098769776 /nfs/dbraw/zinc/76/97/76/1098769776.db2.gz WLYULYGURDJUPN-QGZVFWFLSA-N 2 1 310.388 3.396 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235043727 1098771900 /nfs/dbraw/zinc/77/19/00/1098771900.db2.gz GVDRJIINBYLMIV-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C[C@H]2C1 ZINC001235046703 1098773714 /nfs/dbraw/zinc/77/37/14/1098773714.db2.gz IYGJTIZCXIBIBF-HZPDHXFCSA-N 2 1 313.420 3.204 20 0 DGADMP Fc1ccc(Cl)c(F)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235104255 1098805125 /nfs/dbraw/zinc/80/51/25/1098805125.db2.gz OLOYHLBRFDBQSP-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235117214 1098818294 /nfs/dbraw/zinc/81/82/94/1098818294.db2.gz KUIDVIHPSOOSJH-GOSISDBHSA-N 2 1 316.470 3.164 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(Oc4cccnc4)cc3)C2)C1 ZINC001235117208 1098818949 /nfs/dbraw/zinc/81/89/49/1098818949.db2.gz WVRMUTDYBNISSN-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4cccnc4)cc3)C2)C1 ZINC001235117208 1098818958 /nfs/dbraw/zinc/81/89/58/1098818958.db2.gz WVRMUTDYBNISSN-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4cccnc4)cc3)C2)C1 ZINC001235117208 1098818971 /nfs/dbraw/zinc/81/89/71/1098818971.db2.gz WVRMUTDYBNISSN-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235131274 1098828046 /nfs/dbraw/zinc/82/80/46/1098828046.db2.gz XSZSZWVDMLZLIV-HDICACEKSA-N 2 1 323.440 3.257 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235131274 1098828057 /nfs/dbraw/zinc/82/80/57/1098828057.db2.gz XSZSZWVDMLZLIV-HDICACEKSA-N 2 1 323.440 3.257 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235131274 1098828069 /nfs/dbraw/zinc/82/80/69/1098828069.db2.gz XSZSZWVDMLZLIV-HDICACEKSA-N 2 1 323.440 3.257 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 ZINC001235131274 1098828086 /nfs/dbraw/zinc/82/80/86/1098828086.db2.gz XSZSZWVDMLZLIV-HDICACEKSA-N 2 1 323.440 3.257 20 0 DGADMP Brc1cccc(CC[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235140752 1098833910 /nfs/dbraw/zinc/83/39/10/1098833910.db2.gz MDEFWHOSUQQNPF-UHFFFAOYSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1cccc(CC[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235140752 1098833916 /nfs/dbraw/zinc/83/39/16/1098833916.db2.gz MDEFWHOSUQQNPF-UHFFFAOYSA-N 2 1 323.278 3.210 20 0 DGADMP Cc1cccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c1Br ZINC001235145228 1098835703 /nfs/dbraw/zinc/83/57/03/1098835703.db2.gz RAYYZQXIDRTFIS-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP Cc1cccc(C[N@H+]2CCCC23CC[NH2+]CC3)c1Br ZINC001235145228 1098835711 /nfs/dbraw/zinc/83/57/11/1098835711.db2.gz RAYYZQXIDRTFIS-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP Oc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC001235152165 1098837906 /nfs/dbraw/zinc/83/79/06/1098837906.db2.gz DBSBRSQBHUDLRU-QGZVFWFLSA-N 2 1 308.853 3.400 20 0 DGADMP Cc1cnc(Cl)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235153289 1098839097 /nfs/dbraw/zinc/83/90/97/1098839097.db2.gz JHXSORJQJCSICJ-INIZCTEOSA-N 2 1 307.869 3.398 20 0 DGADMP CSc1ncc(C)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154605 1098840075 /nfs/dbraw/zinc/84/00/75/1098840075.db2.gz ILUFAQOTASGTCZ-QGZVFWFLSA-N 2 1 319.518 3.466 20 0 DGADMP Fc1cc(F)cc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235153317 1098840397 /nfs/dbraw/zinc/84/03/97/1098840397.db2.gz RRKUEFXINMASGO-GOSISDBHSA-N 2 1 308.416 3.361 20 0 DGADMP COc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc(OC)c1 ZINC001178463410 1098840850 /nfs/dbraw/zinc/84/08/50/1098840850.db2.gz PEYLAMIDWJDNIP-HNNXBMFYSA-N 2 1 306.450 3.058 20 0 DGADMP COc1c(C)cccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156939 1098842868 /nfs/dbraw/zinc/84/28/68/1098842868.db2.gz OBWULKFFBGTLQQ-GOSISDBHSA-N 2 1 302.462 3.358 20 0 DGADMP CCCOc1ncccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158536 1098843973 /nfs/dbraw/zinc/84/39/73/1098843973.db2.gz KVAZLRZNDIRUQB-SFHVURJKSA-N 2 1 317.477 3.225 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(C)n1 ZINC001235159837 1098844504 /nfs/dbraw/zinc/84/45/04/1098844504.db2.gz PKTXGRBZXPEMEN-SFHVURJKSA-N 2 1 317.477 3.143 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(F)c1F ZINC001235157362 1098844948 /nfs/dbraw/zinc/84/49/48/1098844948.db2.gz IQQRQVHDMCXASN-INIZCTEOSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1ccc2n[nH]c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235160875 1098846718 /nfs/dbraw/zinc/84/67/18/1098846718.db2.gz RNOHLUNVLWOKBV-GOSISDBHSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2[nH]nc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235160875 1098846727 /nfs/dbraw/zinc/84/67/27/1098846727.db2.gz RNOHLUNVLWOKBV-GOSISDBHSA-N 2 1 316.424 3.056 20 0 DGADMP Fc1ccc2[nH]nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235160875 1098846735 /nfs/dbraw/zinc/84/67/35/1098846735.db2.gz RNOHLUNVLWOKBV-GOSISDBHSA-N 2 1 316.424 3.056 20 0 DGADMP CCOC(=O)CCCCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190521 1098867217 /nfs/dbraw/zinc/86/72/17/1098867217.db2.gz LCKPHAQQRCMMTA-UHFFFAOYSA-N 2 1 310.482 3.108 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190521 1098867221 /nfs/dbraw/zinc/86/72/21/1098867221.db2.gz LCKPHAQQRCMMTA-UHFFFAOYSA-N 2 1 310.482 3.108 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190380 1098867233 /nfs/dbraw/zinc/86/72/33/1098867233.db2.gz GLYFQLWSMFMRQX-UHFFFAOYSA-N 2 1 310.388 3.396 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCCC13CC[NH2+]CC3)CCCO2 ZINC001235190058 1098867618 /nfs/dbraw/zinc/86/76/18/1098867618.db2.gz STYKUBGARMEDSA-UHFFFAOYSA-N 2 1 300.446 3.120 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235192942 1098869587 /nfs/dbraw/zinc/86/95/87/1098869587.db2.gz IDKBREJCTIDHRS-WOJBJXKFSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235192500 1098871057 /nfs/dbraw/zinc/87/10/57/1098871057.db2.gz BYBYFPBGVDWPFX-WOJBJXKFSA-N 2 1 322.452 3.404 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001235223981 1098896946 /nfs/dbraw/zinc/89/69/46/1098896946.db2.gz JBQGGCYULPMONM-IRXDYDNUSA-N 2 1 320.358 3.424 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235223981 1098896964 /nfs/dbraw/zinc/89/69/64/1098896964.db2.gz JBQGGCYULPMONM-IRXDYDNUSA-N 2 1 320.358 3.424 20 0 DGADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC1 ZINC001235225444 1098898530 /nfs/dbraw/zinc/89/85/30/1098898530.db2.gz UISVGAMYGXFBEB-AJNGGQMLSA-N 2 1 302.384 3.063 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001178661320 1098900689 /nfs/dbraw/zinc/90/06/89/1098900689.db2.gz NYXQCUSIHWLNHB-MSOLQXFVSA-N 2 1 316.489 3.407 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001178661320 1098900694 /nfs/dbraw/zinc/90/06/94/1098900694.db2.gz NYXQCUSIHWLNHB-MSOLQXFVSA-N 2 1 316.489 3.407 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235228460 1098901334 /nfs/dbraw/zinc/90/13/34/1098901334.db2.gz MTUHLRUIDYLXGM-SFHVURJKSA-N 2 1 324.415 3.328 20 0 DGADMP Fc1cncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235236982 1098909239 /nfs/dbraw/zinc/90/92/39/1098909239.db2.gz IJKPSEJVQWYAJH-HNNXBMFYSA-N 2 1 311.832 3.228 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689269 1098910103 /nfs/dbraw/zinc/91/01/03/1098910103.db2.gz OUHZAQLIAXWOMN-OKZBNKHCSA-N 2 1 323.525 3.019 20 0 DGADMP CS[C@H](C)CC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248395 1098919816 /nfs/dbraw/zinc/91/98/16/1098919816.db2.gz SMQOUIIYNHUAHZ-KBAYOESNSA-N 2 1 304.503 3.350 20 0 DGADMP CS[C@H](C)CC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248395 1098919825 /nfs/dbraw/zinc/91/98/25/1098919825.db2.gz SMQOUIIYNHUAHZ-KBAYOESNSA-N 2 1 304.503 3.350 20 0 DGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178728905 1098930358 /nfs/dbraw/zinc/93/03/58/1098930358.db2.gz IMFBXGIUHQWKKF-SFHVURJKSA-N 2 1 323.525 3.093 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235265638 1098938264 /nfs/dbraw/zinc/93/82/64/1098938264.db2.gz CVYLNYKANPZVHI-SFTDATJTSA-N 2 1 306.453 3.461 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235271976 1098939534 /nfs/dbraw/zinc/93/95/34/1098939534.db2.gz PPNJISFFAXBARH-UKRRQHHQSA-N 2 1 314.351 3.077 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235271976 1098939542 /nfs/dbraw/zinc/93/95/42/1098939542.db2.gz PPNJISFFAXBARH-UKRRQHHQSA-N 2 1 314.351 3.077 20 0 DGADMP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235338684 1098962944 /nfs/dbraw/zinc/96/29/44/1098962944.db2.gz BWCNCFRKNPUCDR-SNVBAGLBSA-N 2 1 315.244 3.043 20 0 DGADMP FC(F)(F)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235338530 1098963235 /nfs/dbraw/zinc/96/32/35/1098963235.db2.gz BCMSFQNBFBRLJO-LLVKDONJSA-N 2 1 318.770 3.400 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C2 ZINC001178935481 1098966752 /nfs/dbraw/zinc/96/67/52/1098966752.db2.gz ZTQJLOIDOBYGPO-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C2 ZINC001178935481 1098966763 /nfs/dbraw/zinc/96/67/63/1098966763.db2.gz ZTQJLOIDOBYGPO-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235347959 1098970731 /nfs/dbraw/zinc/97/07/31/1098970731.db2.gz BNLNLDKUVXKCPO-AOIWGVFYSA-N 2 1 324.509 3.068 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235349616 1098973287 /nfs/dbraw/zinc/97/32/87/1098973287.db2.gz RUEUKKSGVWBWOJ-NHCUHLMSSA-N 2 1 322.452 3.274 20 0 DGADMP Oc1cccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235362652 1098979346 /nfs/dbraw/zinc/97/93/46/1098979346.db2.gz HEVMZPFORKMBBI-PZJWPPBQSA-N 2 1 322.452 3.145 20 0 DGADMP Oc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235362652 1098979357 /nfs/dbraw/zinc/97/93/57/1098979357.db2.gz HEVMZPFORKMBBI-PZJWPPBQSA-N 2 1 322.452 3.145 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235368343 1098982917 /nfs/dbraw/zinc/98/29/17/1098982917.db2.gz VQWJKAJZFWSHLL-SFTDATJTSA-N 2 1 306.453 3.440 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235366260 1098984242 /nfs/dbraw/zinc/98/42/42/1098984242.db2.gz QRMXTWQQHOVRAL-CTNGQTDRSA-N 2 1 322.452 3.145 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235377815 1098986162 /nfs/dbraw/zinc/98/61/62/1098986162.db2.gz DOISCCLDLNCXRB-RTWAWAEBSA-N 2 1 306.453 3.308 20 0 DGADMP CC(C)(CC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F)c1ccccc1 ZINC001235399331 1098995463 /nfs/dbraw/zinc/99/54/63/1098995463.db2.gz ALVZXZLNNCVBIN-MJGOQNOKSA-N 2 1 304.453 3.378 20 0 DGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403050 1098998731 /nfs/dbraw/zinc/99/87/31/1098998731.db2.gz ZDELFLTZYHEUTD-SJORKVTESA-N 2 1 308.466 3.240 20 0 DGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403050 1098998737 /nfs/dbraw/zinc/99/87/37/1098998737.db2.gz ZDELFLTZYHEUTD-SJORKVTESA-N 2 1 308.466 3.240 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3sccc31)C2 ZINC001235405041 1099002474 /nfs/dbraw/zinc/00/24/74/1099002474.db2.gz NBMRCWLXBIGXGD-DLBZAZTESA-N 2 1 304.434 3.425 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235421438 1099012753 /nfs/dbraw/zinc/01/27/53/1099012753.db2.gz BWVAPOQRYCMZAM-IAGOWNOFSA-N 2 1 302.462 3.215 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CCCO2 ZINC001235421058 1099012947 /nfs/dbraw/zinc/01/29/47/1099012947.db2.gz AVQIGXBOGKLOHY-OALUTQOASA-N 2 1 314.473 3.223 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)n[nH]1 ZINC001235420788 1099013370 /nfs/dbraw/zinc/01/33/70/1099013370.db2.gz BDDCWTPTQAPSFR-OALUTQOASA-N 2 1 324.472 3.288 20 0 DGADMP CCOc1cc(O)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235423858 1099017721 /nfs/dbraw/zinc/01/77/21/1099017721.db2.gz GMWHUIXSHNRLJG-IAGOWNOFSA-N 2 1 318.461 3.003 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235426983 1099018375 /nfs/dbraw/zinc/01/83/75/1099018375.db2.gz MCYJHZMNFHRTLL-SJORKVTESA-N 2 1 320.452 3.436 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235426974 1099018841 /nfs/dbraw/zinc/01/88/41/1099018841.db2.gz MCYJHZMNFHRTLL-IAGOWNOFSA-N 2 1 320.452 3.436 20 0 DGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426110 1099019426 /nfs/dbraw/zinc/01/94/26/1099019426.db2.gz NHDKAWRIYDMPBH-MSOLQXFVSA-N 3 1 307.526 3.010 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426693 1099019584 /nfs/dbraw/zinc/01/95/84/1099019584.db2.gz QCMZPBBGQJULDS-ROUUACIJSA-N 2 1 324.509 3.212 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235426971 1099019693 /nfs/dbraw/zinc/01/96/93/1099019693.db2.gz MCYJHZMNFHRTLL-DLBZAZTESA-N 2 1 320.452 3.436 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426209 1099019717 /nfs/dbraw/zinc/01/97/17/1099019717.db2.gz JKEPAEIVVJOOAN-HOTGVXAUSA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426204 1099020640 /nfs/dbraw/zinc/02/06/40/1099020640.db2.gz JKEPAEIVVJOOAN-CVEARBPZSA-N 2 1 306.425 3.046 20 0 DGADMP Oc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428540 1099023820 /nfs/dbraw/zinc/02/38/20/1099023820.db2.gz OOKVAPNLJPPSAL-HUUCEWRRSA-N 2 1 308.853 3.257 20 0 DGADMP Oc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428540 1099023831 /nfs/dbraw/zinc/02/38/31/1099023831.db2.gz OOKVAPNLJPPSAL-HUUCEWRRSA-N 2 1 308.853 3.257 20 0 DGADMP Cc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235430285 1099024962 /nfs/dbraw/zinc/02/49/62/1099024962.db2.gz WNOSPIIYWILTLO-LSDHHAIUSA-N 2 1 308.416 3.485 20 0 DGADMP Cn1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2ccccc21 ZINC001235430367 1099026595 /nfs/dbraw/zinc/02/65/95/1099026595.db2.gz SGKAEJMGZUQYAI-ZWKOTPCHSA-N 2 1 311.473 3.390 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432404 1099030008 /nfs/dbraw/zinc/03/00/08/1099030008.db2.gz XKITTXIXQVRBRH-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC001235441624 1099038235 /nfs/dbraw/zinc/03/82/35/1099038235.db2.gz PWXBFBPYEMIFOL-YOEHRIQHSA-N 2 1 308.416 3.357 20 0 DGADMP CSc1ncc(C)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277950385 1099069552 /nfs/dbraw/zinc/06/95/52/1099069552.db2.gz WIEGNJJNHHFUIK-UHFFFAOYSA-N 2 1 305.491 3.030 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001277957837 1099102969 /nfs/dbraw/zinc/10/29/69/1099102969.db2.gz FAHAPDQEMRUWBE-ZWKOTPCHSA-N 2 1 310.526 3.372 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC001277959474 1099108673 /nfs/dbraw/zinc/10/86/73/1099108673.db2.gz SOFVRUFABFRNOT-ZSYWTGECSA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC001277959474 1099108677 /nfs/dbraw/zinc/10/86/77/1099108677.db2.gz SOFVRUFABFRNOT-ZSYWTGECSA-N 2 1 310.526 3.227 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1 ZINC001277959474 1099108680 /nfs/dbraw/zinc/10/86/80/1099108680.db2.gz SOFVRUFABFRNOT-ZSYWTGECSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001235667376 1099112973 /nfs/dbraw/zinc/11/29/73/1099112973.db2.gz XPHWYNVQRZOZKR-HYVNUMGLSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001235667376 1099112977 /nfs/dbraw/zinc/11/29/77/1099112977.db2.gz XPHWYNVQRZOZKR-HYVNUMGLSA-N 2 1 308.416 3.357 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001235675019 1099117643 /nfs/dbraw/zinc/11/76/43/1099117643.db2.gz HTQCINBNPZIANP-LBPRGKRZSA-N 2 1 302.340 3.064 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001235674447 1099118894 /nfs/dbraw/zinc/11/88/94/1099118894.db2.gz SVWATXBXTQFXCH-AWEZNQCLSA-N 2 1 303.837 3.301 20 0 DGADMP CC(C)Oc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(OC(C)C)c1 ZINC001235676248 1099119385 /nfs/dbraw/zinc/11/93/85/1099119385.db2.gz QHJPHWWGVSZONF-INIZCTEOSA-N 2 1 320.477 3.432 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(OC(C)C)c1 ZINC001235676248 1099119389 /nfs/dbraw/zinc/11/93/89/1099119389.db2.gz QHJPHWWGVSZONF-INIZCTEOSA-N 2 1 320.477 3.432 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1CCN2 ZINC001235680551 1099124414 /nfs/dbraw/zinc/12/44/14/1099124414.db2.gz TXWXJYUHDIZMIG-LJQANCHMSA-N 2 1 313.489 3.495 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)cc1 ZINC001235687990 1099128810 /nfs/dbraw/zinc/12/88/10/1099128810.db2.gz LJJAMZYYQPCRQM-GOSISDBHSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001235692748 1099132001 /nfs/dbraw/zinc/13/20/01/1099132001.db2.gz QZSYLPVQLPKKTB-IBGZPJMESA-N 2 1 310.441 3.497 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001235713617 1099141957 /nfs/dbraw/zinc/14/19/57/1099141957.db2.gz DETRIDKDBABNJE-WQVCFCJDSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001235713617 1099141962 /nfs/dbraw/zinc/14/19/62/1099141962.db2.gz DETRIDKDBABNJE-WQVCFCJDSA-N 2 1 312.379 3.453 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717899 1099143175 /nfs/dbraw/zinc/14/31/75/1099143175.db2.gz OUZDSDHCUMTPGS-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CCOc1cc(F)c(C[N@H+](C)CCC2CC[NH2+]CC2)c(F)c1 ZINC001235716897 1099143707 /nfs/dbraw/zinc/14/37/07/1099143707.db2.gz LTZRTGJCVPQYFZ-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP CCOc1cc(F)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)c1 ZINC001235716897 1099143710 /nfs/dbraw/zinc/14/37/10/1099143710.db2.gz LTZRTGJCVPQYFZ-UHFFFAOYSA-N 2 1 312.404 3.185 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)CCC3CC[NH2+]CC3)c2c1 ZINC001235716750 1099144279 /nfs/dbraw/zinc/14/42/79/1099144279.db2.gz JSQBRBYQIKBUCI-UHFFFAOYSA-N 2 1 315.461 3.388 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715897 1099144315 /nfs/dbraw/zinc/14/43/15/1099144315.db2.gz XGEFEBLEHQBRNG-PVAVHDDUSA-N 2 1 308.416 3.042 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715897 1099144320 /nfs/dbraw/zinc/14/43/20/1099144320.db2.gz XGEFEBLEHQBRNG-PVAVHDDUSA-N 2 1 308.416 3.042 20 0 DGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccsc1Br ZINC001235718277 1099146002 /nfs/dbraw/zinc/14/60/02/1099146002.db2.gz VSFIFOFJFOXPFH-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccsc1Br ZINC001235718277 1099146007 /nfs/dbraw/zinc/14/60/07/1099146007.db2.gz VSFIFOFJFOXPFH-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580230 1099150402 /nfs/dbraw/zinc/15/04/02/1099150402.db2.gz ADXWSNHFWBCMJZ-SHCNBLLESA-N 2 1 323.525 3.093 20 0 DGADMP COc1ccc(Oc2cccc(C[N@H+]3CC[C@H](C[NH3+])C3)c2)cc1 ZINC001235748872 1099163192 /nfs/dbraw/zinc/16/31/92/1099163192.db2.gz DUHIOAPJJFZWDA-MRXNPFEDSA-N 2 1 312.413 3.268 20 0 DGADMP CCCCOc1ncc(C[N@H+](CC)C2CC[NH2+]CC2)cc1C ZINC001235764412 1099170763 /nfs/dbraw/zinc/17/07/63/1099170763.db2.gz AMGICBCQWVALJZ-UHFFFAOYSA-N 2 1 305.466 3.143 20 0 DGADMP CCCCOc1ncc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1C ZINC001235764412 1099170769 /nfs/dbraw/zinc/17/07/69/1099170769.db2.gz AMGICBCQWVALJZ-UHFFFAOYSA-N 2 1 305.466 3.143 20 0 DGADMP CCOc1c(F)cc(C[N@H+](CC)C2CC[NH2+]CC2)cc1Cl ZINC001235762991 1099170912 /nfs/dbraw/zinc/17/09/12/1099170912.db2.gz ZDCUCWWEWROLAT-UHFFFAOYSA-N 2 1 314.832 3.452 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1Cl ZINC001235762991 1099170917 /nfs/dbraw/zinc/17/09/17/1099170917.db2.gz ZDCUCWWEWROLAT-UHFFFAOYSA-N 2 1 314.832 3.452 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC001235818835 1099194106 /nfs/dbraw/zinc/19/41/06/1099194106.db2.gz QZSSMTYXMJRABD-UHFFFAOYSA-N 2 1 311.267 3.326 20 0 DGADMP CCOc1ccc([C@H]2CCC[N@H+]2CC2(F)CC[NH2+]CC2)cc1 ZINC001235840078 1099202345 /nfs/dbraw/zinc/20/23/45/1099202345.db2.gz JRRVIMAJXLNFJG-QGZVFWFLSA-N 2 1 306.425 3.314 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC001235840663 1099202923 /nfs/dbraw/zinc/20/29/23/1099202923.db2.gz SJCNUFLQQIEHIO-DOMZBBRYSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001235840663 1099202924 /nfs/dbraw/zinc/20/29/24/1099202924.db2.gz SJCNUFLQQIEHIO-DOMZBBRYSA-N 2 1 316.823 3.305 20 0 DGADMP Cc1cccc(CC[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC001235839204 1099202931 /nfs/dbraw/zinc/20/29/31/1099202931.db2.gz MSIHUKHTXMCXPV-UHFFFAOYSA-N 2 1 300.471 3.377 20 0 DGADMP C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235841727 1099205484 /nfs/dbraw/zinc/20/54/84/1099205484.db2.gz IFDYUADBCXMWPU-QGZVFWFLSA-N 2 1 320.440 3.067 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001235892065 1099237003 /nfs/dbraw/zinc/23/70/03/1099237003.db2.gz LIJKSQAXQWGULV-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(Br)cc1 ZINC001235892065 1099236999 /nfs/dbraw/zinc/23/69/99/1099236999.db2.gz LIJKSQAXQWGULV-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP COc1ccc2nc(Cl)c(C[N@@H+]3CCC[C@H]3CC[NH3+])cc2c1 ZINC001235925541 1099260732 /nfs/dbraw/zinc/26/07/32/1099260732.db2.gz UGCJBDQEMNULSG-AWEZNQCLSA-N 2 1 319.836 3.210 20 0 DGADMP COc1ccc2nc(Cl)c(C[N@H+]3CCC[C@H]3CC[NH3+])cc2c1 ZINC001235925541 1099260744 /nfs/dbraw/zinc/26/07/44/1099260744.db2.gz UGCJBDQEMNULSG-AWEZNQCLSA-N 2 1 319.836 3.210 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc(C)c1Br ZINC001235925327 1099261863 /nfs/dbraw/zinc/26/18/63/1099261863.db2.gz HUQWQLLLZLFACS-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc(C)c1Br ZINC001235925327 1099261872 /nfs/dbraw/zinc/26/18/72/1099261872.db2.gz HUQWQLLLZLFACS-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235936546 1099269848 /nfs/dbraw/zinc/26/98/48/1099269848.db2.gz LFUFDLUEIZSTSJ-SJORKVTESA-N 2 1 324.424 3.226 20 0 DGADMP C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235950688 1099282854 /nfs/dbraw/zinc/28/28/54/1099282854.db2.gz LUBZDYONHBZNNM-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235950688 1099282860 /nfs/dbraw/zinc/28/28/60/1099282860.db2.gz LUBZDYONHBZNNM-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP c1ccc([C@H]2CC[N@@H+]2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235949243 1099282987 /nfs/dbraw/zinc/28/29/87/1099282987.db2.gz AHYVUMDKIZUTIJ-HXUWFJFHSA-N 2 1 307.441 3.043 20 0 DGADMP COc1ccc([C@@H](C)[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235950101 1099283448 /nfs/dbraw/zinc/28/34/48/1099283448.db2.gz OXEKFSOJXCOVOI-OAHLLOKOSA-N 2 1 302.462 3.468 20 0 DGADMP c1ccc(CC[N@H+](CC[C@H]2C[NH2+]CCO2)Cc2ccccc2)cc1 ZINC001235949163 1099283752 /nfs/dbraw/zinc/28/37/52/1099283752.db2.gz YKUHIGTVSUPBQG-NRFANRHFSA-N 2 1 324.468 3.110 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950806 1099283985 /nfs/dbraw/zinc/28/39/85/1099283985.db2.gz NGLQUGQSCXBZTL-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP C[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH2+]C1 ZINC001235952585 1099285724 /nfs/dbraw/zinc/28/57/24/1099285724.db2.gz ZSKNLGSLBBNZCS-LBPRGKRZSA-N 2 1 301.261 3.467 20 0 DGADMP C[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235951391 1099286084 /nfs/dbraw/zinc/28/60/84/1099286084.db2.gz RSYPNBLXDCSWBM-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235951391 1099286088 /nfs/dbraw/zinc/28/60/88/1099286088.db2.gz RSYPNBLXDCSWBM-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956514 1099286611 /nfs/dbraw/zinc/28/66/11/1099286611.db2.gz FKIQLOSRVOTLSH-NSHDSACASA-N 2 1 320.330 3.156 20 0 DGADMP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956514 1099286614 /nfs/dbraw/zinc/28/66/14/1099286614.db2.gz FKIQLOSRVOTLSH-NSHDSACASA-N 2 1 320.330 3.156 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956512 1099287157 /nfs/dbraw/zinc/28/71/57/1099287157.db2.gz FKIQLOSRVOTLSH-LLVKDONJSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956512 1099287164 /nfs/dbraw/zinc/28/71/64/1099287164.db2.gz FKIQLOSRVOTLSH-LLVKDONJSA-N 2 1 320.330 3.156 20 0 DGADMP COc1ccc2sc(C[N@@H+](C)C[C@H]3CCC[NH2+]C3)cc2c1 ZINC001235958199 1099289351 /nfs/dbraw/zinc/28/93/51/1099289351.db2.gz YMTNHTSWVQHFPO-ZDUSSCGKSA-N 2 1 304.459 3.341 20 0 DGADMP Cc1cc(Br)sc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957703 1099289867 /nfs/dbraw/zinc/28/98/67/1099289867.db2.gz SNYXFYGNXORPOL-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP Cc1cc(Br)sc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957703 1099289876 /nfs/dbraw/zinc/28/98/76/1099289876.db2.gz SNYXFYGNXORPOL-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)CO1 ZINC001235960266 1099290974 /nfs/dbraw/zinc/29/09/74/1099290974.db2.gz QQJAIRXNXLIJDU-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H](c3ccccc3)CC2)CO1 ZINC001235960266 1099290980 /nfs/dbraw/zinc/29/09/80/1099290980.db2.gz QQJAIRXNXLIJDU-MSOLQXFVSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)NCC2 ZINC001235972521 1099301986 /nfs/dbraw/zinc/30/19/86/1099301986.db2.gz IMJVKVDJLWHZKK-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)NCC2 ZINC001235972521 1099301998 /nfs/dbraw/zinc/30/19/98/1099301998.db2.gz IMJVKVDJLWHZKK-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)NCC2 ZINC001235972521 1099302011 /nfs/dbraw/zinc/30/20/11/1099302011.db2.gz IMJVKVDJLWHZKK-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235972269 1099302508 /nfs/dbraw/zinc/30/25/08/1099302508.db2.gz FLZLGOACNVFSNI-RHSMWYFYSA-N 2 1 308.853 3.183 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235981029 1099308882 /nfs/dbraw/zinc/30/88/82/1099308882.db2.gz OUGBFKUITHSINR-UYAOXDASSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235981029 1099308895 /nfs/dbraw/zinc/30/88/95/1099308895.db2.gz OUGBFKUITHSINR-UYAOXDASSA-N 2 1 308.425 3.285 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991143 1099314755 /nfs/dbraw/zinc/31/47/55/1099314755.db2.gz IDWZHBOHVKETBC-TZIWHRDSSA-N 2 1 321.468 3.343 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991143 1099314767 /nfs/dbraw/zinc/31/47/67/1099314767.db2.gz IDWZHBOHVKETBC-TZIWHRDSSA-N 2 1 321.468 3.343 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235992202 1099316200 /nfs/dbraw/zinc/31/62/00/1099316200.db2.gz MNBARPNVKOBHLV-PXNSSMCTSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235992202 1099316213 /nfs/dbraw/zinc/31/62/13/1099316213.db2.gz MNBARPNVKOBHLV-PXNSSMCTSA-N 2 1 308.425 3.285 20 0 DGADMP Fc1ccccc1CCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236006550 1099327533 /nfs/dbraw/zinc/32/75/33/1099327533.db2.gz POZKTWIBDJAIJX-CTNGQTDRSA-N 2 1 324.443 3.231 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CO1 ZINC001236007386 1099328790 /nfs/dbraw/zinc/32/87/90/1099328790.db2.gz AHXSACGYXMZBFI-WMZOPIPTSA-N 2 1 320.452 3.195 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CO1 ZINC001236007386 1099328802 /nfs/dbraw/zinc/32/88/02/1099328802.db2.gz AHXSACGYXMZBFI-WMZOPIPTSA-N 2 1 320.452 3.195 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236008445 1099330454 /nfs/dbraw/zinc/33/04/54/1099330454.db2.gz LOWDTLGEBGARON-MSOLQXFVSA-N 2 1 304.453 3.470 20 0 DGADMP Clc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236013166 1099336433 /nfs/dbraw/zinc/33/64/33/1099336433.db2.gz ZINDKPKMWKJNNR-MJGOQNOKSA-N 2 1 312.844 3.313 20 0 DGADMP Clc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236013166 1099336447 /nfs/dbraw/zinc/33/64/47/1099336447.db2.gz ZINDKPKMWKJNNR-MJGOQNOKSA-N 2 1 312.844 3.313 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001180208773 1099341678 /nfs/dbraw/zinc/34/16/78/1099341678.db2.gz QLHIZZCZFOLPDJ-PKOBYXMFSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001236069204 1099368839 /nfs/dbraw/zinc/36/88/39/1099368839.db2.gz XLEYULQLUSEJJI-INIZCTEOSA-N 2 1 320.477 3.302 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001236069204 1099368851 /nfs/dbraw/zinc/36/88/51/1099368851.db2.gz XLEYULQLUSEJJI-INIZCTEOSA-N 2 1 320.477 3.302 20 0 DGADMP COc1cccc(CC2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001236084728 1099376419 /nfs/dbraw/zinc/37/64/19/1099376419.db2.gz FQDZRGXYGDUSRX-GOSISDBHSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084659 1099377684 /nfs/dbraw/zinc/37/76/84/1099377684.db2.gz DEQLKTCPGGBCJM-CZUORRHYSA-N 2 1 308.416 3.271 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236084659 1099377693 /nfs/dbraw/zinc/37/76/93/1099377693.db2.gz DEQLKTCPGGBCJM-CZUORRHYSA-N 2 1 308.416 3.271 20 0 DGADMP CC[N@@H+](Cc1cccs1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236088770 1099379345 /nfs/dbraw/zinc/37/93/45/1099379345.db2.gz JBRKRQUZYKQFNH-UHFFFAOYSA-N 2 1 315.486 3.180 20 0 DGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180352790 1099380194 /nfs/dbraw/zinc/38/01/94/1099380194.db2.gz VVJNOIUUYGERCJ-HDICACEKSA-N 2 1 323.525 3.092 20 0 DGADMP [NH3+]CCCCCC[NH+]1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001236092324 1099381124 /nfs/dbraw/zinc/38/11/24/1099381124.db2.gz JHMDUIPVLADEJY-HXUWFJFHSA-N 2 1 315.505 3.201 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001236096741 1099386690 /nfs/dbraw/zinc/38/66/90/1099386690.db2.gz FBIZRCFZCMCFAA-HXUWFJFHSA-N 2 1 322.452 3.330 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236111021 1099397757 /nfs/dbraw/zinc/39/77/57/1099397757.db2.gz GSHQZZSDXBFHEX-UHFFFAOYSA-N 2 1 324.468 3.105 20 0 DGADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)C1 ZINC001204273072 1099432771 /nfs/dbraw/zinc/43/27/71/1099432771.db2.gz WSEUDAHMAZWURJ-APWZRJJASA-N 2 1 320.477 3.016 20 0 DGADMP c1cc2c(cccc2N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC001236182652 1099452755 /nfs/dbraw/zinc/45/27/55/1099452755.db2.gz PYFVRUMZWJKCFN-OAHLLOKOSA-N 2 1 315.486 3.023 20 0 DGADMP CCC[N@@H+](Cc1cc(CC)c(O)c(CC)c1)C1CC[NH2+]CC1 ZINC001236183156 1099452878 /nfs/dbraw/zinc/45/28/78/1099452878.db2.gz VXLDKZQUZQETLP-UHFFFAOYSA-N 2 1 304.478 3.481 20 0 DGADMP c1cc2n(c1C[N@H+]1CCC[C@@H]1c1c[nH]c3ccccc31)CC[NH2+]C2 ZINC001236192207 1099458013 /nfs/dbraw/zinc/45/80/13/1099458013.db2.gz OKXPGKAUVADMCR-HXUWFJFHSA-N 2 1 320.440 3.410 20 0 DGADMP FC1(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH2+]CC1 ZINC001236193909 1099458104 /nfs/dbraw/zinc/45/81/04/1099458104.db2.gz UHICQVUOMGFXQG-QGZVFWFLSA-N 2 1 301.409 3.397 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CO1 ZINC001236195065 1099458933 /nfs/dbraw/zinc/45/89/33/1099458933.db2.gz YNYUNXXPKGHQSR-KSSFIOAISA-N 2 1 313.445 3.419 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CO1 ZINC001236195065 1099458937 /nfs/dbraw/zinc/45/89/37/1099458937.db2.gz YNYUNXXPKGHQSR-KSSFIOAISA-N 2 1 313.445 3.419 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001236214339 1099470475 /nfs/dbraw/zinc/47/04/75/1099470475.db2.gz BETCDBWIGRWPLC-UHFFFAOYSA-N 2 1 316.367 3.373 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001180646266 1099481224 /nfs/dbraw/zinc/48/12/24/1099481224.db2.gz ISDIBHOOYLXWIB-YCXXCVGLSA-N 2 1 300.446 3.287 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001180646266 1099481231 /nfs/dbraw/zinc/48/12/31/1099481231.db2.gz ISDIBHOOYLXWIB-YCXXCVGLSA-N 2 1 300.446 3.287 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCCCC[NH3+] ZINC001236236613 1099489870 /nfs/dbraw/zinc/48/98/70/1099489870.db2.gz KHYCRCWQTSUHAT-BBWFWOEESA-N 2 1 324.509 3.480 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1F)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236240181 1099493803 /nfs/dbraw/zinc/49/38/03/1099493803.db2.gz JQYUYIVVLAQIJE-AAEUAGOBSA-N 2 1 318.358 3.278 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1F)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236240181 1099493806 /nfs/dbraw/zinc/49/38/06/1099493806.db2.gz JQYUYIVVLAQIJE-AAEUAGOBSA-N 2 1 318.358 3.278 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269144 1099509114 /nfs/dbraw/zinc/50/91/14/1099509114.db2.gz FZCCIAHBBZVLSA-GOSISDBHSA-N 2 1 320.440 3.317 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H]1C ZINC001180802478 1099510532 /nfs/dbraw/zinc/51/05/32/1099510532.db2.gz RGFXDGCSGYDXRO-SMOSDQRPSA-N 2 1 316.489 3.168 20 0 DGADMP c1ccc(C[N@@H+](CCC2CCOCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236270447 1099511805 /nfs/dbraw/zinc/51/18/05/1099511805.db2.gz SVHKZWOONPOBBF-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@H+](CCC2CCOCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236270447 1099511812 /nfs/dbraw/zinc/51/18/12/1099511812.db2.gz SVHKZWOONPOBBF-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP CCC(=O)C(C)(C)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287292 1099518715 /nfs/dbraw/zinc/51/87/15/1099518715.db2.gz QZLIKKRVPRIURB-UHFFFAOYSA-N 2 1 302.462 3.246 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236303013 1099522669 /nfs/dbraw/zinc/52/26/69/1099522669.db2.gz KQGBUJLKJMZDEY-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001236315283 1099529811 /nfs/dbraw/zinc/52/98/11/1099529811.db2.gz ZAUKIOJQOHAHBQ-IYBDPMFKSA-N 2 1 310.441 3.280 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236316236 1099530236 /nfs/dbraw/zinc/53/02/36/1099530236.db2.gz QFJGUBBQITWXOC-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317420 1099532023 /nfs/dbraw/zinc/53/20/23/1099532023.db2.gz XABAZOJTVSEISW-OKILXGFUSA-N 2 1 308.853 3.170 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cnc1-c1ccccc1 ZINC001236320478 1099533471 /nfs/dbraw/zinc/53/34/71/1099533471.db2.gz CXNKCSHCIOEOKF-BGYRXZFFSA-N 2 1 321.468 3.488 20 0 DGADMP c1ccc(-c2cccnc2)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320621 1099533715 /nfs/dbraw/zinc/53/37/15/1099533715.db2.gz RTIAGZAPQFIJKO-HDICACEKSA-N 2 1 307.441 3.180 20 0 DGADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320124 1099534631 /nfs/dbraw/zinc/53/46/31/1099534631.db2.gz CMPAIJPKFGGLNW-BETUJISGSA-N 2 1 310.894 3.493 20 0 DGADMP CC(C)Oc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1F ZINC001236322333 1099536701 /nfs/dbraw/zinc/53/67/01/1099536701.db2.gz YCSAGONMVDHSBG-IYBDPMFKSA-N 2 1 306.425 3.044 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236336955 1099544817 /nfs/dbraw/zinc/54/48/17/1099544817.db2.gz XQYMBXLATPJWDA-ZWKOTPCHSA-N 2 1 302.462 3.407 20 0 DGADMP Nc1ccc(F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236372935 1099558505 /nfs/dbraw/zinc/55/85/05/1099558505.db2.gz FLZQHGMNULCICV-CYBMUJFWSA-N 2 1 323.431 3.291 20 0 DGADMP Nc1ccc(F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236372935 1099558514 /nfs/dbraw/zinc/55/85/14/1099558514.db2.gz FLZQHGMNULCICV-CYBMUJFWSA-N 2 1 323.431 3.291 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236374761 1099560561 /nfs/dbraw/zinc/56/05/61/1099560561.db2.gz TWYBRBDGPUNQLP-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cc(O)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374438 1099560789 /nfs/dbraw/zinc/56/07/89/1099560789.db2.gz RICRJWKBDBIEPG-HNNXBMFYSA-N 2 1 318.461 3.145 20 0 DGADMP Oc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236373951 1099560891 /nfs/dbraw/zinc/56/08/91/1099560891.db2.gz AEWWQYSDCDIIIH-CQSZACIVSA-N 2 1 306.425 3.276 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374511 1099561425 /nfs/dbraw/zinc/56/14/25/1099561425.db2.gz DIRYPSIKIFUMHO-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP COc1ncc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1C ZINC001236375445 1099561824 /nfs/dbraw/zinc/56/18/24/1099561824.db2.gz XRSWGLLIBJUQMJ-MRXNPFEDSA-N 2 1 317.477 3.143 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1C[NH2+]C2 ZINC001236375944 1099563184 /nfs/dbraw/zinc/56/31/84/1099563184.db2.gz OGMPNDAIFONCMS-KRWDZBQOSA-N 3 1 313.489 3.034 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1C[NH2+]C2 ZINC001236375945 1099565491 /nfs/dbraw/zinc/56/54/91/1099565491.db2.gz OGMPNDAIFONCMS-QGZVFWFLSA-N 3 1 313.489 3.034 20 0 DGADMP Nc1nc(Cl)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375880 1099565509 /nfs/dbraw/zinc/56/55/09/1099565509.db2.gz NNDDYFXZNGMZJQ-CYBMUJFWSA-N 2 1 322.884 3.061 20 0 DGADMP CCOc1cncc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236376182 1099565538 /nfs/dbraw/zinc/56/55/38/1099565538.db2.gz QCMVJTACWZPOSD-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]2CCCCO2)cc1 ZINC001236382681 1099566691 /nfs/dbraw/zinc/56/66/91/1099566691.db2.gz PGACKDGDFYJCBO-IBGZPJMESA-N 2 1 320.452 3.196 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236407815 1099580817 /nfs/dbraw/zinc/58/08/17/1099580817.db2.gz HYLMJPPVWVMRIF-NSHDSACASA-N 2 1 320.330 3.156 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236407815 1099580828 /nfs/dbraw/zinc/58/08/28/1099580828.db2.gz HYLMJPPVWVMRIF-NSHDSACASA-N 2 1 320.330 3.156 20 0 DGADMP CC[N@H+](Cc1cc(Cl)c(OC)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407762 1099581313 /nfs/dbraw/zinc/58/13/13/1099581313.db2.gz HAHKULVVUAQMQP-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP CC[N@H+](Cc1cc(C)cc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407995 1099582564 /nfs/dbraw/zinc/58/25/64/1099582564.db2.gz IYMBLGZDJQVQNK-CYBMUJFWSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236408500 1099582867 /nfs/dbraw/zinc/58/28/67/1099582867.db2.gz NSKGHIPJEYHBPF-LBPRGKRZSA-N 2 1 320.330 3.156 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236409955 1099583290 /nfs/dbraw/zinc/58/32/90/1099583290.db2.gz BDWJUYGPEUXMME-PMOLBWCYSA-N 2 1 308.425 3.012 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236409955 1099583302 /nfs/dbraw/zinc/58/33/02/1099583302.db2.gz BDWJUYGPEUXMME-PMOLBWCYSA-N 2 1 308.425 3.012 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414089 1099587942 /nfs/dbraw/zinc/58/79/42/1099587942.db2.gz JEYBVQLIZORHDH-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414089 1099587953 /nfs/dbraw/zinc/58/79/53/1099587953.db2.gz JEYBVQLIZORHDH-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001236434053 1099609220 /nfs/dbraw/zinc/60/92/20/1099609220.db2.gz NIMWERJFRHGGMM-SFHVURJKSA-N 2 1 306.494 3.047 20 0 DGADMP COc1ccccc1CC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236454197 1099620142 /nfs/dbraw/zinc/62/01/42/1099620142.db2.gz IINMZPLYBXADPG-UHFFFAOYSA-N 2 1 304.478 3.338 20 0 DGADMP CC(C)Oc1cncc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459479 1099622468 /nfs/dbraw/zinc/62/24/68/1099622468.db2.gz QKJVVNKOPQVPBT-UHFFFAOYSA-N 2 1 319.493 3.469 20 0 DGADMP CC(C)Oc1cncc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459479 1099622470 /nfs/dbraw/zinc/62/24/70/1099622470.db2.gz QKJVVNKOPQVPBT-UHFFFAOYSA-N 2 1 319.493 3.469 20 0 DGADMP Cc1cccn2cc(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)nc12 ZINC001236458180 1099622766 /nfs/dbraw/zinc/62/27/66/1099622766.db2.gz SBRDZMKWVQXPOJ-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP Cc1cccn2cc(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)nc12 ZINC001236458180 1099622770 /nfs/dbraw/zinc/62/27/70/1099622770.db2.gz SBRDZMKWVQXPOJ-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP COc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(OC)c1 ZINC001236458729 1099623232 /nfs/dbraw/zinc/62/32/32/1099623232.db2.gz WXHGKMPLDYSDDI-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP CCOCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001236461409 1099625024 /nfs/dbraw/zinc/62/50/24/1099625024.db2.gz WSBPOQKEPOCTFA-QGZVFWFLSA-N 2 1 308.510 3.459 20 0 DGADMP Cc1ccc(F)cc1C[N@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236510004 1099652366 /nfs/dbraw/zinc/65/23/66/1099652366.db2.gz UQXZSXHMYZIDOJ-LJQANCHMSA-N 2 1 320.452 3.257 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236510004 1099652375 /nfs/dbraw/zinc/65/23/75/1099652375.db2.gz UQXZSXHMYZIDOJ-LJQANCHMSA-N 2 1 320.452 3.257 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)CCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549882 1099675716 /nfs/dbraw/zinc/67/57/16/1099675716.db2.gz FNJUPUGOEXQURO-IYARVYRRSA-N 2 1 302.462 3.349 20 0 DGADMP CCOc1ncc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236554288 1099676890 /nfs/dbraw/zinc/67/68/90/1099676890.db2.gz YURNDDCZGJIQMM-IYARVYRRSA-N 2 1 317.477 3.271 20 0 DGADMP Cc1ccccc1C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554761 1099677853 /nfs/dbraw/zinc/67/78/53/1099677853.db2.gz UPVVNUXYFZXTGL-MXVIHJGJSA-N 3 1 315.505 3.067 20 0 DGADMP COc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)n1 ZINC001236572007 1099685346 /nfs/dbraw/zinc/68/53/46/1099685346.db2.gz POUSTFDCHWOBFQ-SAABIXHNSA-N 2 1 317.477 3.413 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236597229 1099693292 /nfs/dbraw/zinc/69/32/92/1099693292.db2.gz ABJOOLMOBPDULC-KRWDZBQOSA-N 2 1 313.489 3.251 20 0 DGADMP CCOc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236602673 1099697553 /nfs/dbraw/zinc/69/75/53/1099697553.db2.gz ZNTDFQSJXKXQDA-OAHLLOKOSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236602673 1099697555 /nfs/dbraw/zinc/69/75/55/1099697555.db2.gz ZNTDFQSJXKXQDA-OAHLLOKOSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236600771 1099697603 /nfs/dbraw/zinc/69/76/03/1099697603.db2.gz JERGYYLHTHIVMD-HNNXBMFYSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1ccc(OC)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236600771 1099697605 /nfs/dbraw/zinc/69/76/05/1099697605.db2.gz JERGYYLHTHIVMD-HNNXBMFYSA-N 2 1 318.461 3.058 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001236604298 1099698995 /nfs/dbraw/zinc/69/89/95/1099698995.db2.gz LCYZBSIAVOBYNA-AWEZNQCLSA-N 2 1 320.330 3.094 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001236606400 1099701271 /nfs/dbraw/zinc/70/12/71/1099701271.db2.gz UKTNXEJSASANLB-YJBOKZPZSA-N 2 1 320.502 3.175 20 0 DGADMP CN(C)c1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236654272 1099725084 /nfs/dbraw/zinc/72/50/84/1099725084.db2.gz UUTOJYBANXVPDW-HNNXBMFYSA-N 2 1 307.507 3.311 20 0 DGADMP CN(C)c1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236654272 1099725091 /nfs/dbraw/zinc/72/50/91/1099725091.db2.gz UUTOJYBANXVPDW-HNNXBMFYSA-N 2 1 307.507 3.311 20 0 DGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CO ZINC001277993840 1099726613 /nfs/dbraw/zinc/72/66/13/1099726613.db2.gz DIVBESLOGGGKTF-WJXKREEZSA-N 2 1 310.526 3.416 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCC[NH2+]2)Cc2ccccc2)CC1 ZINC001236682348 1099741064 /nfs/dbraw/zinc/74/10/64/1099741064.db2.gz SMTFRSCYBHFUHJ-UFYCRDLUSA-N 3 1 315.505 3.291 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC23CC([NH3+])(C2)C3)CC2CCCCC2)CC1 ZINC001236754734 1099772005 /nfs/dbraw/zinc/77/20/05/1099772005.db2.gz JDTMRNOCPBAQCQ-RTWGARKQSA-N 3 1 319.537 3.410 20 0 DGADMP CC(C)(C)C[N@@H+](CC1CC2(C1)CC[NH2+]CC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766686 1099775694 /nfs/dbraw/zinc/77/56/94/1099775694.db2.gz BQGLLGCAHZSLTG-IYARVYRRSA-N 3 1 321.553 3.384 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC001236817209 1099806175 /nfs/dbraw/zinc/80/61/75/1099806175.db2.gz AIBCJDVYZGYWJS-VJANTYMQSA-N 2 1 320.521 3.323 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)cc1Br ZINC001236825763 1099811789 /nfs/dbraw/zinc/81/17/89/1099811789.db2.gz AIQRIMMFBIWPIR-NOLJZWGESA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)cc1Br ZINC001236825763 1099811800 /nfs/dbraw/zinc/81/18/00/1099811800.db2.gz AIQRIMMFBIWPIR-NOLJZWGESA-N 2 1 323.278 3.235 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2c1 ZINC001236829475 1099814594 /nfs/dbraw/zinc/81/45/94/1099814594.db2.gz KNFNPECTNMTSMD-IHPCNDPISA-N 2 1 309.457 3.075 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)c1OC(C)C ZINC001236829920 1099814862 /nfs/dbraw/zinc/81/48/62/1099814862.db2.gz LRHAQNDXNSVTQK-BZSNNMDCSA-N 2 1 302.462 3.260 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001236829495 1099815301 /nfs/dbraw/zinc/81/53/01/1099815301.db2.gz KTWNAZJFSQBFEX-AEGPPILISA-N 2 1 314.351 3.063 20 0 DGADMP CCC[N@@H+](Cc1[nH]nc2ccc(Cl)cc21)C[C@@H]1CC[NH2+]C1 ZINC001236835568 1099819366 /nfs/dbraw/zinc/81/93/66/1099819366.db2.gz NHGPHYMBOHKILR-GFCCVEGCSA-N 2 1 306.841 3.038 20 0 DGADMP CCC[N@H+](Cc1[nH]nc2ccc(Cl)cc21)C[C@@H]1CC[NH2+]C1 ZINC001236835568 1099819375 /nfs/dbraw/zinc/81/93/75/1099819375.db2.gz NHGPHYMBOHKILR-GFCCVEGCSA-N 2 1 306.841 3.038 20 0 DGADMP CCC[N@@H+](Cc1cc(OC)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236835311 1099821083 /nfs/dbraw/zinc/82/10/83/1099821083.db2.gz KXGPWLMBLNWJAA-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1cc(OC)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236835311 1099821089 /nfs/dbraw/zinc/82/10/89/1099821089.db2.gz KXGPWLMBLNWJAA-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1cnc(OC)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236843458 1099829225 /nfs/dbraw/zinc/82/92/25/1099829225.db2.gz ONRQWTNVWGKAMD-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@@](C)(F)CC3)c2)CC1 ZINC001236887135 1099849955 /nfs/dbraw/zinc/84/99/55/1099849955.db2.gz HMGWWHRGHMNRJV-LJQANCHMSA-N 2 1 319.468 3.153 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)c2)CC1 ZINC001236888221 1099852470 /nfs/dbraw/zinc/85/24/70/1099852470.db2.gz AAHWUEYCOSAYGM-AZUAARDMSA-N 2 1 313.489 3.203 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236890959 1099853870 /nfs/dbraw/zinc/85/38/70/1099853870.db2.gz USYIKSAHHNGJNR-DLBZAZTESA-N 2 1 301.478 3.059 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236887741 1099854118 /nfs/dbraw/zinc/85/41/18/1099854118.db2.gz OOJJOHWSCGPGDC-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236899424 1099860831 /nfs/dbraw/zinc/86/08/31/1099860831.db2.gz RYZIMBLABCBJPR-DLBZAZTESA-N 2 1 301.478 3.059 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236904715 1099865590 /nfs/dbraw/zinc/86/55/90/1099865590.db2.gz PRQSOQYBDBRSEZ-UHFFFAOYSA-N 2 1 320.868 3.299 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236904715 1099865595 /nfs/dbraw/zinc/86/55/95/1099865595.db2.gz PRQSOQYBDBRSEZ-UHFFFAOYSA-N 2 1 320.868 3.299 20 0 DGADMP c1ccc2[nH]c(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)nc2c1 ZINC001236948850 1099889414 /nfs/dbraw/zinc/88/94/14/1099889414.db2.gz SXSQAIZRZINKPT-UHFFFAOYSA-N 2 1 312.461 3.165 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001236951675 1099889739 /nfs/dbraw/zinc/88/97/39/1099889739.db2.gz ZICLCFGOIDOSSY-LJQANCHMSA-N 2 1 312.388 3.082 20 0 DGADMP CCCCc1nc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c[nH]1 ZINC001236962397 1099894128 /nfs/dbraw/zinc/89/41/28/1099894128.db2.gz XSYNNUBXEDRHQT-UHFFFAOYSA-N 2 1 318.509 3.354 20 0 DGADMP Cc1ccc(-c2cncc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2)cc1 ZINC001237002281 1099920981 /nfs/dbraw/zinc/92/09/81/1099920981.db2.gz KOZMYAVFPYDXNZ-BGYRXZFFSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1ccc(-c2cncc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2)cc1 ZINC001237002281 1099920984 /nfs/dbraw/zinc/92/09/84/1099920984.db2.gz KOZMYAVFPYDXNZ-BGYRXZFFSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2)cc1 ZINC001237002281 1099920993 /nfs/dbraw/zinc/92/09/93/1099920993.db2.gz KOZMYAVFPYDXNZ-BGYRXZFFSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1ccc(-c2cncc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2)cc1 ZINC001237002281 1099920998 /nfs/dbraw/zinc/92/09/98/1099920998.db2.gz KOZMYAVFPYDXNZ-BGYRXZFFSA-N 2 1 307.441 3.050 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001237043774 1099943136 /nfs/dbraw/zinc/94/31/36/1099943136.db2.gz UEQCQBNEFKQWAL-QZTJIDSGSA-N 2 1 316.445 3.142 20 0 DGADMP Fc1cc(F)cc([C@H]2CCC[N@@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001237057713 1099950564 /nfs/dbraw/zinc/95/05/64/1099950564.db2.gz QOPHGWSKPHFGCY-GOSISDBHSA-N 2 1 317.383 3.207 20 0 DGADMP Fc1cc(F)cc([C@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001237057713 1099950570 /nfs/dbraw/zinc/95/05/70/1099950570.db2.gz QOPHGWSKPHFGCY-GOSISDBHSA-N 2 1 317.383 3.207 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)ccc2c1 ZINC001237058707 1099950950 /nfs/dbraw/zinc/95/09/50/1099950950.db2.gz RJQXDJSFXLEVKI-FQEVSTJZSA-N 2 1 311.473 3.467 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237056866 1099951245 /nfs/dbraw/zinc/95/12/45/1099951245.db2.gz KOXYODBWRNOBFU-GOSISDBHSA-N 2 1 312.498 3.341 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001237080923 1099958308 /nfs/dbraw/zinc/95/83/08/1099958308.db2.gz GCQINLRFQAFAMX-FGWVZKOKSA-N 2 1 315.244 3.401 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(CCC[NH+](C)C)C2 ZINC001278049844 1099959953 /nfs/dbraw/zinc/95/99/53/1099959953.db2.gz STRWMSMENLXCIR-OTWHNJEPSA-N 2 1 309.542 3.161 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@H]1C ZINC001237115611 1099980517 /nfs/dbraw/zinc/98/05/17/1099980517.db2.gz YMLQTXSEWPJISN-IAGOWNOFSA-N 2 1 324.509 3.210 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC001278056063 1099983075 /nfs/dbraw/zinc/98/30/75/1099983075.db2.gz TXKMSUIOIDBSDI-AQNXPRMDSA-N 2 1 321.553 3.447 20 0 DGADMP CCCCCCc1ccc(C[N@@H+]2CC[C@@]3(C2)CNCCO3)s1 ZINC001237146545 1099997102 /nfs/dbraw/zinc/99/71/02/1099997102.db2.gz UIANOHMBWOYRET-SFHVURJKSA-N 2 1 322.518 3.435 20 0 DGADMP CCCCCCc1ccc(C[N@H+]2CC[C@@]3(C2)CNCCO3)s1 ZINC001237146545 1099997112 /nfs/dbraw/zinc/99/71/12/1099997112.db2.gz UIANOHMBWOYRET-SFHVURJKSA-N 2 1 322.518 3.435 20 0 DGADMP Brc1ccc(C2=CC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001237204003 1100032119 /nfs/dbraw/zinc/03/21/19/1100032119.db2.gz JSTOXEJPFDLJHV-CYBMUJFWSA-N 2 1 321.262 3.148 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001237220595 1100036287 /nfs/dbraw/zinc/03/62/87/1100036287.db2.gz SMLFVQQGEUFESR-UXHICEINSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001237220595 1100036295 /nfs/dbraw/zinc/03/62/95/1100036295.db2.gz SMLFVQQGEUFESR-UXHICEINSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001237220595 1100036302 /nfs/dbraw/zinc/03/63/02/1100036302.db2.gz SMLFVQQGEUFESR-UXHICEINSA-N 2 1 321.468 3.223 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@@H]3CCCC[NH2+]3)CC[C@H]1N2 ZINC001237237470 1100043798 /nfs/dbraw/zinc/04/37/98/1100043798.db2.gz VLGIJYUSVODXNP-QILLFSRXSA-N 2 1 319.880 3.456 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@@H]3CCCC[NH2+]3)CC[C@H]1N2 ZINC001237237470 1100043803 /nfs/dbraw/zinc/04/38/03/1100043803.db2.gz VLGIJYUSVODXNP-QILLFSRXSA-N 2 1 319.880 3.456 20 0 DGADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1C(F)F ZINC001237269155 1100053065 /nfs/dbraw/zinc/05/30/65/1100053065.db2.gz HFOMUIVEQIBKOS-KGLIPLIRSA-N 2 1 310.388 3.016 20 0 DGADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1C(F)F ZINC001237269155 1100053074 /nfs/dbraw/zinc/05/30/74/1100053074.db2.gz HFOMUIVEQIBKOS-KGLIPLIRSA-N 2 1 310.388 3.016 20 0 DGADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1C(F)F ZINC001237269155 1100053078 /nfs/dbraw/zinc/05/30/78/1100053078.db2.gz HFOMUIVEQIBKOS-KGLIPLIRSA-N 2 1 310.388 3.016 20 0 DGADMP c1csc(CC[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237275111 1100053536 /nfs/dbraw/zinc/05/35/36/1100053536.db2.gz KIPKKRXWVPUDQA-UHFFFAOYSA-N 2 1 312.482 3.428 20 0 DGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001237275934 1100056736 /nfs/dbraw/zinc/05/67/36/1100056736.db2.gz SAYFGMZFTOEHAC-VQIMIIECSA-N 2 1 319.468 3.037 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237402407 1100111076 /nfs/dbraw/zinc/11/10/76/1100111076.db2.gz HQDZQIFPOGWJLB-FUHWJXTLSA-N 2 1 311.429 3.224 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237402407 1100111081 /nfs/dbraw/zinc/11/10/81/1100111081.db2.gz HQDZQIFPOGWJLB-FUHWJXTLSA-N 2 1 311.429 3.224 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2)n1 ZINC001237403509 1100112414 /nfs/dbraw/zinc/11/24/14/1100112414.db2.gz KWWNGFPGDHQPJG-IAGOWNOFSA-N 2 1 313.470 3.384 20 0 DGADMP c1csc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2)n1 ZINC001237403509 1100112417 /nfs/dbraw/zinc/11/24/17/1100112417.db2.gz KWWNGFPGDHQPJG-IAGOWNOFSA-N 2 1 313.470 3.384 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)nc1 ZINC001237406896 1100114431 /nfs/dbraw/zinc/11/44/31/1100114431.db2.gz VZNLNBIJWGUQAF-UYAOXDASSA-N 2 1 307.441 3.323 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2CCCCC[NH3+])cc1 ZINC001237409459 1100115903 /nfs/dbraw/zinc/11/59/03/1100115903.db2.gz HIXIEUJXHGITDH-KRWDZBQOSA-N 2 1 304.434 3.129 20 0 DGADMP c1ccc(-c2ccncc2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412895 1100118498 /nfs/dbraw/zinc/11/84/98/1100118498.db2.gz HWOLNDOMAHUHQV-ICSRJNTNSA-N 2 1 307.441 3.323 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2s1 ZINC001237418980 1100121103 /nfs/dbraw/zinc/12/11/03/1100121103.db2.gz ZAWNIWFGHORSJX-CABCVRRESA-N 2 1 301.459 3.179 20 0 DGADMP Cc1nc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2s1 ZINC001237418980 1100121106 /nfs/dbraw/zinc/12/11/06/1100121106.db2.gz ZAWNIWFGHORSJX-CABCVRRESA-N 2 1 301.459 3.179 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001237729358 1100227566 /nfs/dbraw/zinc/22/75/66/1100227566.db2.gz AFFOODDTLKGCKA-ROUUACIJSA-N 2 1 302.462 3.166 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC4(COC4)C3)cc21 ZINC001237876812 1100274902 /nfs/dbraw/zinc/27/49/02/1100274902.db2.gz IITYOXSKMGXILP-UHFFFAOYSA-N 2 1 312.457 3.300 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](CO)CC[C@H]3C)cc21 ZINC001237880757 1100279861 /nfs/dbraw/zinc/27/98/61/1100279861.db2.gz JZLNSINHIGAROI-NVXWUHKLSA-N 2 1 314.473 3.281 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001237922307 1100295259 /nfs/dbraw/zinc/29/52/59/1100295259.db2.gz YAQGYPJGWAGZLN-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccsc2C)CC1 ZINC001237965324 1100302816 /nfs/dbraw/zinc/30/28/16/1100302816.db2.gz BYTISLYKWZHBIR-UHFFFAOYSA-N 2 1 301.459 3.499 20 0 DGADMP Cc1sccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001237967929 1100305616 /nfs/dbraw/zinc/30/56/16/1100305616.db2.gz JCRIEBRYOHNVKG-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1sccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001237967929 1100305624 /nfs/dbraw/zinc/30/56/24/1100305624.db2.gz JCRIEBRYOHNVKG-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1sccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001237967929 1100305632 /nfs/dbraw/zinc/30/56/32/1100305632.db2.gz JCRIEBRYOHNVKG-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1sccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001237967929 1100305636 /nfs/dbraw/zinc/30/56/36/1100305636.db2.gz JCRIEBRYOHNVKG-GOSISDBHSA-N 2 1 322.518 3.379 20 0 DGADMP c1[nH+]cn2c1cccc2C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001238105041 1100363265 /nfs/dbraw/zinc/36/32/65/1100363265.db2.gz BPPCVEKUALCLKV-UHFFFAOYSA-N 2 1 306.413 3.184 20 0 DGADMP CN1CCC([N@@H+](Cc2cccc3c[nH+]cn32)C2CCCC2)CC1 ZINC001238112359 1100363542 /nfs/dbraw/zinc/36/35/42/1100363542.db2.gz CXGSCNASOQIQIH-UHFFFAOYSA-N 3 1 312.461 3.173 20 0 DGADMP C[C@H]1CN(Cc2cccc3c[nH+]cn32)CC[N@H+]1Cc1ccccc1 ZINC001238110549 1100364872 /nfs/dbraw/zinc/36/48/72/1100364872.db2.gz OOSZSRSBDPLKMC-KRWDZBQOSA-N 2 1 320.440 3.041 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238113806 1100366106 /nfs/dbraw/zinc/36/61/06/1100366106.db2.gz MMGOXRWHDBNNDP-SFHVURJKSA-N 2 1 307.397 3.296 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238113806 1100366111 /nfs/dbraw/zinc/36/61/11/1100366111.db2.gz MMGOXRWHDBNNDP-SFHVURJKSA-N 2 1 307.397 3.296 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001191119732 1100404903 /nfs/dbraw/zinc/40/49/03/1100404903.db2.gz AIJWFIKOOWUGIP-ICSRJNTNSA-N 2 1 316.489 3.257 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001205558580 1100411259 /nfs/dbraw/zinc/41/12/59/1100411259.db2.gz HDBNICUMIDVUEK-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC001238395679 1100432698 /nfs/dbraw/zinc/43/26/98/1100432698.db2.gz FSNSREOLXQFNMD-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC001238395679 1100432700 /nfs/dbraw/zinc/43/27/00/1100432700.db2.gz FSNSREOLXQFNMD-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(Cl)c1 ZINC001238395679 1100432704 /nfs/dbraw/zinc/43/27/04/1100432704.db2.gz FSNSREOLXQFNMD-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(Cl)c1 ZINC001238395679 1100432708 /nfs/dbraw/zinc/43/27/08/1100432708.db2.gz FSNSREOLXQFNMD-HIFRSBDPSA-N 2 1 308.853 3.122 20 0 DGADMP CC[C@H](C)C[N@@H+](CC)Cc1ccc(CN2CCOCC2)cc1 ZINC001191375241 1100459853 /nfs/dbraw/zinc/45/98/53/1100459853.db2.gz QHDHZLMWQNLULN-KRWDZBQOSA-N 2 1 304.478 3.387 20 0 DGADMP CC[C@H](C)C[N@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191375241 1100459857 /nfs/dbraw/zinc/45/98/57/1100459857.db2.gz QHDHZLMWQNLULN-KRWDZBQOSA-N 2 1 304.478 3.387 20 0 DGADMP CC[C@H](C)C[N@@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191375241 1100459860 /nfs/dbraw/zinc/45/98/60/1100459860.db2.gz QHDHZLMWQNLULN-KRWDZBQOSA-N 2 1 304.478 3.387 20 0 DGADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cnc1-c1ccccc1 ZINC001238614388 1100484449 /nfs/dbraw/zinc/48/44/49/1100484449.db2.gz HKWGZKRQSLIDOT-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cnc1-c1ccccc1 ZINC001238614388 1100484451 /nfs/dbraw/zinc/48/44/51/1100484451.db2.gz HKWGZKRQSLIDOT-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cnc1-c1ccccc1 ZINC001238614388 1100484454 /nfs/dbraw/zinc/48/44/54/1100484454.db2.gz HKWGZKRQSLIDOT-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cnc1-c1ccccc1 ZINC001238614388 1100484457 /nfs/dbraw/zinc/48/44/57/1100484457.db2.gz HKWGZKRQSLIDOT-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cnc1-c1ccccc1 ZINC001238614388 1100484460 /nfs/dbraw/zinc/48/44/60/1100484460.db2.gz HKWGZKRQSLIDOT-KDURUIRLSA-N 2 1 307.441 3.050 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(Cl)cn1 ZINC001278257241 1100485133 /nfs/dbraw/zinc/48/51/33/1100485133.db2.gz PRYYLQDGTYUMRW-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1cc(C)c(C)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001238757755 1100520558 /nfs/dbraw/zinc/52/05/58/1100520558.db2.gz GLXVTNYWFVDWSR-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cn1 ZINC001205591439 1100605013 /nfs/dbraw/zinc/60/50/13/1100605013.db2.gz MWMAWMJXGMLHPS-CQSZACIVSA-N 2 1 319.346 3.062 20 0 DGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205592081 1100606520 /nfs/dbraw/zinc/60/65/20/1100606520.db2.gz QXQUMDXQQCANOW-HNNXBMFYSA-N 2 1 302.796 3.440 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2sccc2Br)CC[C@@H]1C[NH3+] ZINC001205617818 1100684226 /nfs/dbraw/zinc/68/42/26/1100684226.db2.gz ODJTXVAAEOKFDX-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ncc1Cl ZINC001278300994 1100721342 /nfs/dbraw/zinc/72/13/42/1100721342.db2.gz PTNJCIPNZBJJTM-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ncc1Cl ZINC001278300994 1100721343 /nfs/dbraw/zinc/72/13/43/1100721343.db2.gz PTNJCIPNZBJJTM-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP C[NH+](C)/C=C/c1ccncc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240478911 1101014734 /nfs/dbraw/zinc/01/47/34/1101014734.db2.gz YAUDUOVZQOSLKL-CSKARUKUSA-N 2 1 323.440 3.113 20 0 DGADMP CCOc1ccc(OC)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241238733 1101309515 /nfs/dbraw/zinc/30/95/15/1101309515.db2.gz POAZKAKBEMJWDZ-UHFFFAOYSA-N 2 1 323.396 3.095 20 0 DGADMP CC(=O)c1ccc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241300210 1101362176 /nfs/dbraw/zinc/36/21/76/1101362176.db2.gz FYZNHUFMCMWAJJ-UHFFFAOYSA-N 2 1 309.344 3.030 20 0 DGADMP COCC[N@@H+](CCc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001196781696 1101399627 /nfs/dbraw/zinc/39/96/27/1101399627.db2.gz GFYILBUDUGJMSG-UHFFFAOYSA-N 2 1 324.896 3.173 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[Si](C)(C)c2ccccc2)CC1 ZINC001197892492 1101693715 /nfs/dbraw/zinc/69/37/15/1101693715.db2.gz XOWDWTAQLKYPEK-UHFFFAOYSA-N 2 1 316.565 3.092 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1N(C)C ZINC001199336894 1102109947 /nfs/dbraw/zinc/10/99/47/1102109947.db2.gz ZQWRIQVJOYOGEH-KRWDZBQOSA-N 2 1 303.494 3.497 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c[nH]nc32)c1 ZINC000084021779 1102217877 /nfs/dbraw/zinc/21/78/77/1102217877.db2.gz LUDBAZYPTAXAHR-UHFFFAOYSA-N 2 1 308.429 3.304 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001205902607 1102441658 /nfs/dbraw/zinc/44/16/58/1102441658.db2.gz KWFLDDBWLAQMJO-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(OC(F)(F)F)c1 ZINC001205913069 1102507686 /nfs/dbraw/zinc/50/76/86/1102507686.db2.gz GWROMBIBXBRGHZ-OCCSQVGLSA-N 2 1 316.367 3.453 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914516 1102523697 /nfs/dbraw/zinc/52/36/97/1102523697.db2.gz MUMIWQHMKAORJZ-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914516 1102523707 /nfs/dbraw/zinc/52/37/07/1102523707.db2.gz MUMIWQHMKAORJZ-CMPLNLGQSA-N 2 1 320.330 3.284 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CCCCC1)C2 ZINC001201393782 1102567334 /nfs/dbraw/zinc/56/73/34/1102567334.db2.gz NOBNNHKIYRSZGC-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CCCCC1)C2 ZINC001201393782 1102567343 /nfs/dbraw/zinc/56/73/43/1102567343.db2.gz NOBNNHKIYRSZGC-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CCCCC1)C2 ZINC001201393782 1102567347 /nfs/dbraw/zinc/56/73/47/1102567347.db2.gz NOBNNHKIYRSZGC-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CCCCC1)C2 ZINC001201393782 1102567354 /nfs/dbraw/zinc/56/73/54/1102567354.db2.gz NOBNNHKIYRSZGC-UHFFFAOYSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408893 1102577852 /nfs/dbraw/zinc/57/78/52/1102577852.db2.gz LTNTVSKKOYCNKX-RBUKOAKNSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408893 1102577862 /nfs/dbraw/zinc/57/78/62/1102577862.db2.gz LTNTVSKKOYCNKX-RBUKOAKNSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408893 1102577869 /nfs/dbraw/zinc/57/78/69/1102577869.db2.gz LTNTVSKKOYCNKX-RBUKOAKNSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001201408893 1102577875 /nfs/dbraw/zinc/57/78/75/1102577875.db2.gz LTNTVSKKOYCNKX-RBUKOAKNSA-N 2 1 306.494 3.166 20 0 DGADMP CC(C)(C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201435202 1102602222 /nfs/dbraw/zinc/60/22/22/1102602222.db2.gz HREVXGIWYBOYCB-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201470115 1102603824 /nfs/dbraw/zinc/60/38/24/1102603824.db2.gz BYOBEPDMRUWATQ-MRXNPFEDSA-N 2 1 322.518 3.459 20 0 DGADMP CC(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471213 1102623370 /nfs/dbraw/zinc/62/33/70/1102623370.db2.gz QTXDBAXLZNYKRR-UHOSZYNNSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471213 1102623373 /nfs/dbraw/zinc/62/33/73/1102623373.db2.gz QTXDBAXLZNYKRR-UHOSZYNNSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471213 1102623376 /nfs/dbraw/zinc/62/33/76/1102623376.db2.gz QTXDBAXLZNYKRR-UHOSZYNNSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471213 1102623378 /nfs/dbraw/zinc/62/33/78/1102623378.db2.gz QTXDBAXLZNYKRR-UHOSZYNNSA-N 2 1 301.478 3.270 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CCc4ccccc4)C[C@H]3C2)c1 ZINC001201597293 1102648289 /nfs/dbraw/zinc/64/82/89/1102648289.db2.gz ULXNRYNUCCQDAP-ROUUACIJSA-N 2 1 312.482 3.354 20 0 DGADMP CCCC[C@H](CC)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201572402 1102657843 /nfs/dbraw/zinc/65/78/43/1102657843.db2.gz KBFVAIOEURAXEF-SFHVURJKSA-N 2 1 309.542 3.162 20 0 DGADMP [NH3+][C@@H]1CCCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001205923880 1102671606 /nfs/dbraw/zinc/67/16/06/1102671606.db2.gz PESPNIYIYANVPB-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001205923880 1102671609 /nfs/dbraw/zinc/67/16/09/1102671609.db2.gz PESPNIYIYANVPB-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201672600 1102679786 /nfs/dbraw/zinc/67/97/86/1102679786.db2.gz AULYRCFOUYEQBU-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201672600 1102679788 /nfs/dbraw/zinc/67/97/88/1102679788.db2.gz AULYRCFOUYEQBU-UHFFFAOYSA-N 2 1 316.489 3.194 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CCCC1)[C@H]2C ZINC001202161927 1102863833 /nfs/dbraw/zinc/86/38/33/1102863833.db2.gz YMTUVTHLUGMRKH-HNNXBMFYSA-N 2 1 304.482 3.290 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CCCC1)[C@H]2C ZINC001202161927 1102863851 /nfs/dbraw/zinc/86/38/51/1102863851.db2.gz YMTUVTHLUGMRKH-HNNXBMFYSA-N 2 1 304.482 3.290 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CCCC1)[C@H]2C ZINC001202161927 1102863872 /nfs/dbraw/zinc/86/38/72/1102863872.db2.gz YMTUVTHLUGMRKH-HNNXBMFYSA-N 2 1 304.482 3.290 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CCCC1)[C@H]2C ZINC001202161927 1102863895 /nfs/dbraw/zinc/86/38/95/1102863895.db2.gz YMTUVTHLUGMRKH-HNNXBMFYSA-N 2 1 304.482 3.290 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(CCC(F)(F)F)[C@@H]2C ZINC001202329247 1102946570 /nfs/dbraw/zinc/94/65/70/1102946570.db2.gz QLOVGVOXPHAOJL-GFCCVEGCSA-N 2 1 318.387 3.052 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(CCC(F)(F)F)[C@H]2C ZINC001202329249 1102946758 /nfs/dbraw/zinc/94/67/58/1102946758.db2.gz QLOVGVOXPHAOJL-LBPRGKRZSA-N 2 1 318.387 3.052 20 0 DGADMP C(=CC1CC[NH2+]CC1)c1ccc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c2c1 ZINC001243896546 1103038256 /nfs/dbraw/zinc/03/82/56/1103038256.db2.gz HFJNQYJDWXXFQD-TWXWNCLHSA-N 2 1 322.456 3.389 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC001326037579 1103190560 /nfs/dbraw/zinc/19/05/60/1103190560.db2.gz MZGOIYZWYHUZGC-BSDSXHPESA-N 2 1 316.493 3.352 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cnc(C)n1C ZINC001276304363 1103265068 /nfs/dbraw/zinc/26/50/68/1103265068.db2.gz DMMPLQIHNMXTAS-KURKYZTESA-N 2 1 318.509 3.203 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH+]c(C)n1C ZINC001276304363 1103265093 /nfs/dbraw/zinc/26/50/93/1103265093.db2.gz DMMPLQIHNMXTAS-KURKYZTESA-N 2 1 318.509 3.203 20 0 DGADMP Cc1ccnc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)c1 ZINC001276319998 1103488651 /nfs/dbraw/zinc/48/86/51/1103488651.db2.gz MZLVHCFMAZQOBY-FQEVSTJZSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)c1 ZINC001276319998 1103488658 /nfs/dbraw/zinc/48/86/58/1103488658.db2.gz MZLVHCFMAZQOBY-FQEVSTJZSA-N 2 1 324.472 3.206 20 0 DGADMP Fc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276341876 1103514625 /nfs/dbraw/zinc/51/46/25/1103514625.db2.gz WAKYXZWELVFDOS-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276341876 1103514635 /nfs/dbraw/zinc/51/46/35/1103514635.db2.gz WAKYXZWELVFDOS-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276341876 1103514637 /nfs/dbraw/zinc/51/46/37/1103514637.db2.gz WAKYXZWELVFDOS-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001327127340 1103539281 /nfs/dbraw/zinc/53/92/81/1103539281.db2.gz VDBCGNJLORMEOZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327127340 1103539290 /nfs/dbraw/zinc/53/92/90/1103539290.db2.gz VDBCGNJLORMEOZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327127340 1103539299 /nfs/dbraw/zinc/53/92/99/1103539299.db2.gz VDBCGNJLORMEOZ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001327144983 1103549733 /nfs/dbraw/zinc/54/97/33/1103549733.db2.gz BMSAZBJALVHWNM-MSOLQXFVSA-N 2 1 323.525 3.044 20 0 DGADMP CCCOc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001138998093 1103615837 /nfs/dbraw/zinc/61/58/37/1103615837.db2.gz BWRVFGBPCJGCDI-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP COc1cccc2c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276378566 1103700495 /nfs/dbraw/zinc/70/04/95/1103700495.db2.gz VXTZCUORYXLDFY-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276378566 1103700502 /nfs/dbraw/zinc/70/05/02/1103700502.db2.gz VXTZCUORYXLDFY-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c[nH]c21 ZINC001276378566 1103700512 /nfs/dbraw/zinc/70/05/12/1103700512.db2.gz VXTZCUORYXLDFY-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP COc1cccc2c(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)c[nH]c21 ZINC001276378566 1103700523 /nfs/dbraw/zinc/70/05/23/1103700523.db2.gz VXTZCUORYXLDFY-LJQANCHMSA-N 2 1 313.445 3.094 20 0 DGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)c1 ZINC001202486647 1103775344 /nfs/dbraw/zinc/77/53/44/1103775344.db2.gz HREBYBNDCBTKLC-INIZCTEOSA-N 2 1 320.502 3.073 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)[nH]n1 ZINC001328051981 1103820344 /nfs/dbraw/zinc/82/03/44/1103820344.db2.gz NQLAVNYLVDFDJU-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC001329146346 1104168807 /nfs/dbraw/zinc/16/88/07/1104168807.db2.gz AGIBOHDDSGVYIG-UHFFFAOYSA-N 2 1 304.459 3.083 20 0 DGADMP CCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001329241332 1104198929 /nfs/dbraw/zinc/19/89/29/1104198929.db2.gz XWVYVBGAVIIJMW-DAWZGUTISA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000527932316 1104253248 /nfs/dbraw/zinc/25/32/48/1104253248.db2.gz OKTVLCWEYMXRKJ-UHFFFAOYSA-N 2 1 306.425 3.153 20 0 DGADMP CCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246030795 1104355890 /nfs/dbraw/zinc/35/58/90/1104355890.db2.gz AXSMTIYBERGSBK-VAMGGRTRSA-N 2 1 316.489 3.007 20 0 DGADMP CCC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064569 1104362995 /nfs/dbraw/zinc/36/29/95/1104362995.db2.gz FKDKFKGHHLCLRT-GUDVDZBRSA-N 2 1 304.478 3.228 20 0 DGADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246071136 1104365029 /nfs/dbraw/zinc/36/50/29/1104365029.db2.gz HPBNUBJGXJSEGP-RBUKOAKNSA-N 2 1 310.441 3.148 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246074769 1104369222 /nfs/dbraw/zinc/36/92/22/1104369222.db2.gz QIKHRNGMDCQUFU-INIZCTEOSA-N 2 1 318.461 3.248 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078341 1104372559 /nfs/dbraw/zinc/37/25/59/1104372559.db2.gz HRERVSMXZLDKEA-HUBLWGQQSA-N 2 1 311.267 3.110 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2ccccc2)CC[NH2+]1 ZINC001246081269 1104376881 /nfs/dbraw/zinc/37/68/81/1104376881.db2.gz RPUNYJYMKRLQSU-KURKYZTESA-N 2 1 318.461 3.191 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246086964 1104377319 /nfs/dbraw/zinc/37/73/19/1104377319.db2.gz XKNCIJPWEFFCOM-GCLMUHHRSA-N 2 1 315.505 3.158 20 0 DGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1F ZINC001246092354 1104379531 /nfs/dbraw/zinc/37/95/31/1104379531.db2.gz AOSDRRAZVZDRHE-IRXDYDNUSA-N 2 1 316.395 3.418 20 0 DGADMP C[C@H]1[NH2+]CC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246095115 1104382480 /nfs/dbraw/zinc/38/24/80/1104382480.db2.gz YYSIRKWGJOTYOP-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1[NH2+]CC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246095115 1104382490 /nfs/dbraw/zinc/38/24/90/1104382490.db2.gz YYSIRKWGJOTYOP-NZSAHSFTSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H]1[NH2+]CC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246095115 1104382503 /nfs/dbraw/zinc/38/25/03/1104382503.db2.gz YYSIRKWGJOTYOP-NZSAHSFTSA-N 3 1 315.505 3.017 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001246105446 1104388419 /nfs/dbraw/zinc/38/84/19/1104388419.db2.gz BMEZKQJXUOAZGM-QAPCUYQASA-N 2 1 308.441 3.088 20 0 DGADMP CN(Cc1ccccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001329818230 1104393062 /nfs/dbraw/zinc/39/30/62/1104393062.db2.gz RATKNSOXUJGPGR-DFNIBXOVSA-N 2 1 313.489 3.344 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001329818230 1104393073 /nfs/dbraw/zinc/39/30/73/1104393073.db2.gz RATKNSOXUJGPGR-DFNIBXOVSA-N 2 1 313.489 3.344 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001329818230 1104393080 /nfs/dbraw/zinc/39/30/80/1104393080.db2.gz RATKNSOXUJGPGR-DFNIBXOVSA-N 2 1 313.489 3.344 20 0 DGADMP c1ccc(C[C@H]2C[C@@H]([NH2+][C@@H]3CCOc4ccccc43)CC[NH2+]2)cc1 ZINC001246116285 1104393738 /nfs/dbraw/zinc/39/37/38/1104393738.db2.gz YKCJRLGKWUHQOW-CMKODMSKSA-N 2 1 322.452 3.463 20 0 DGADMP C1CCC2(C1)CCC([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246158673 1104409641 /nfs/dbraw/zinc/40/96/41/1104409641.db2.gz GSDKFYLVXSCRNI-PKOBYXMFSA-N 2 1 306.494 3.380 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246165541 1104413783 /nfs/dbraw/zinc/41/37/83/1104413783.db2.gz JCZRXDOUJYGTEK-KXBFYZLASA-N 2 1 308.425 3.148 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246166336 1104415338 /nfs/dbraw/zinc/41/53/38/1104415338.db2.gz PRUBVBVRSGPBNB-LPHOPBHVSA-N 2 1 313.420 3.299 20 0 DGADMP CC(C)CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206655 1104437365 /nfs/dbraw/zinc/43/73/65/1104437365.db2.gz KFUXWLMUTDUWDB-GJZGRUSLSA-N 2 1 300.487 3.240 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246182902 1104425931 /nfs/dbraw/zinc/42/59/31/1104425931.db2.gz BBLFTGGNDODHCE-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP CCc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC001329926147 1104426430 /nfs/dbraw/zinc/42/64/30/1104426430.db2.gz RUCDXUPIBZSQOT-CRAIPNDOSA-N 2 1 317.477 3.027 20 0 DGADMP CCCC[C@@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246194571 1104432242 /nfs/dbraw/zinc/43/22/42/1104432242.db2.gz JKXISMNSGXJZGZ-MOPGFXCFSA-N 2 1 303.494 3.019 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246198517 1104434400 /nfs/dbraw/zinc/43/44/00/1104434400.db2.gz QCNNUYLDCCMDPG-HNJRGHQBSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246198517 1104434403 /nfs/dbraw/zinc/43/44/03/1104434403.db2.gz QCNNUYLDCCMDPG-HNJRGHQBSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246198517 1104434408 /nfs/dbraw/zinc/43/44/08/1104434408.db2.gz QCNNUYLDCCMDPG-HNJRGHQBSA-N 3 1 315.505 3.017 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246208113 1104437292 /nfs/dbraw/zinc/43/72/92/1104437292.db2.gz CKCWOLJUAREDAZ-PCODUJHASA-N 3 1 319.468 3.034 20 0 DGADMP CCC1CCC(C2CCC([NH2+][C@H]3CN[C@H](CO)C3)CC2)CC1 ZINC001246213308 1104438661 /nfs/dbraw/zinc/43/86/61/1104438661.db2.gz QAEYBYDGSSWVMA-PHPRVCIWSA-N 2 1 308.510 3.074 20 0 DGADMP CCC1CCC(C2CCC([NH2+][C@H]3C[NH2+][C@H](CO)C3)CC2)CC1 ZINC001246213308 1104438668 /nfs/dbraw/zinc/43/86/68/1104438668.db2.gz QAEYBYDGSSWVMA-PHPRVCIWSA-N 2 1 308.510 3.074 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C[C@H](C)[NH2+]1 ZINC001246211077 1104439120 /nfs/dbraw/zinc/43/91/20/1104439120.db2.gz LJDKDDXOXWVIDB-PEGIJTEDSA-N 2 1 315.230 3.207 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(C)CC[NH2+]CC1(F)F)CC2 ZINC001246219305 1104442016 /nfs/dbraw/zinc/44/20/16/1104442016.db2.gz GYPPXBZJAQUXQO-IRXDYDNUSA-N 2 1 308.416 3.077 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H](C)[NH2+]1 ZINC001246223580 1104444767 /nfs/dbraw/zinc/44/47/67/1104444767.db2.gz WSKVQXVDLYNSGQ-PEGIJTEDSA-N 2 1 320.330 3.343 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246226401 1104446434 /nfs/dbraw/zinc/44/64/34/1104446434.db2.gz GENPQGHUIMHGQW-DGCLKSJQSA-N 2 1 302.796 3.105 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246226161 1104446490 /nfs/dbraw/zinc/44/64/90/1104446490.db2.gz FUFYBRGSFDGYPP-CHWSQXEVSA-N 2 1 314.807 3.032 20 0 DGADMP C[NH2+]C1CCC([NH2+][C@H](C(=O)OC(C)(C)C)C2CCCCC2)CC1 ZINC001246229087 1104447609 /nfs/dbraw/zinc/44/76/09/1104447609.db2.gz KARJEQSUANWTIF-JCYILVPMSA-N 2 1 324.509 3.397 20 0 DGADMP OC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246231046 1104448949 /nfs/dbraw/zinc/44/89/49/1104448949.db2.gz RBAMKIUQZKYJRZ-UFYCRDLUSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246231066 1104449106 /nfs/dbraw/zinc/44/91/06/1104449106.db2.gz NYLIHKLEHJXBHG-DGCLKSJQSA-N 2 1 302.796 3.105 20 0 DGADMP COc1cccc(C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)c1C(F)(F)F ZINC001246236980 1104452525 /nfs/dbraw/zinc/45/25/25/1104452525.db2.gz VOKBVOCZLZWLNQ-QWRGUYRKSA-N 2 1 316.367 3.333 20 0 DGADMP C1CCC([N@@H+]2CCC[C@@H]([NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246249309 1104458644 /nfs/dbraw/zinc/45/86/44/1104458644.db2.gz NUPWLXIKRXTMFT-GOSISDBHSA-N 3 1 319.537 3.295 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H]([NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246249309 1104458648 /nfs/dbraw/zinc/45/86/48/1104458648.db2.gz NUPWLXIKRXTMFT-GOSISDBHSA-N 3 1 319.537 3.295 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001246254446 1104461271 /nfs/dbraw/zinc/46/12/71/1104461271.db2.gz HLKXWDRTYJTSJU-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246262285 1104464709 /nfs/dbraw/zinc/46/47/09/1104464709.db2.gz AFAYVLDCHKJZDR-VQIMIIECSA-N 2 1 312.457 3.176 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CN1 ZINC001246272806 1104469272 /nfs/dbraw/zinc/46/92/72/1104469272.db2.gz WKCMCOAVDXJGMU-JEBQAFNWSA-N 2 1 306.425 3.024 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246284646 1104474083 /nfs/dbraw/zinc/47/40/83/1104474083.db2.gz BZPPHELVYMFZNE-GFCCVEGCSA-N 2 1 316.367 3.377 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)C(=O)OC(C)(C)C ZINC001246289209 1104475501 /nfs/dbraw/zinc/47/55/01/1104475501.db2.gz BVXAZQKMGAKAKX-CABCVRRESA-N 2 1 310.482 3.009 20 0 DGADMP Oc1cccc(-c2ccc([C@H]3C[C@@H]3[NH2+][C@H]3CCCNC3)cc2)c1 ZINC001246293412 1104475655 /nfs/dbraw/zinc/47/56/55/1104475655.db2.gz ZPUROMKWKDCFGJ-SXLOBPIMSA-N 2 1 308.425 3.257 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246301618 1104478361 /nfs/dbraw/zinc/47/83/61/1104478361.db2.gz UAVHRFMWMNWCQQ-RBUKOAKNSA-N 2 1 303.494 3.004 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246301616 1104478603 /nfs/dbraw/zinc/47/86/03/1104478603.db2.gz UAVHRFMWMNWCQQ-OALUTQOASA-N 2 1 303.494 3.004 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC001307796459 1104480245 /nfs/dbraw/zinc/48/02/45/1104480245.db2.gz KIQGBPGYOFSQSG-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC001307796459 1104480247 /nfs/dbraw/zinc/48/02/47/1104480247.db2.gz KIQGBPGYOFSQSG-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC001307796459 1104480251 /nfs/dbraw/zinc/48/02/51/1104480251.db2.gz KIQGBPGYOFSQSG-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)CC[NH2+]1 ZINC001246316021 1104486281 /nfs/dbraw/zinc/48/62/81/1104486281.db2.gz OCDRHUYZHZEWMS-RVKKMQEKSA-N 2 1 318.461 3.419 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC001246323382 1104489402 /nfs/dbraw/zinc/48/94/02/1104489402.db2.gz DOOLFSKAJFPFJO-FFSVYQOJSA-N 2 1 323.278 3.037 20 0 DGADMP CCC1CCC([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)(C(=O)OC)CC1 ZINC001246328161 1104493129 /nfs/dbraw/zinc/49/31/29/1104493129.db2.gz XQEUEVJZBQDTRP-WUJZJPHMSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337881 1104497879 /nfs/dbraw/zinc/49/78/79/1104497879.db2.gz XDGADBPFAMUQTK-MJGOQNOKSA-N 2 1 315.505 3.006 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001246346010 1104500133 /nfs/dbraw/zinc/50/01/33/1104500133.db2.gz PQDWBLRYUPXQNL-ABHNRTSZSA-N 2 1 304.478 3.477 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246347300 1104501988 /nfs/dbraw/zinc/50/19/88/1104501988.db2.gz SZLIFFPBCYVWST-FZMZJTMJSA-N 2 1 313.283 3.343 20 0 DGADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246349761 1104502750 /nfs/dbraw/zinc/50/27/50/1104502750.db2.gz CCADBIHCPJULRD-HLIPFELVSA-N 2 1 307.441 3.106 20 0 DGADMP Nc1cccc(CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246350893 1104503070 /nfs/dbraw/zinc/50/30/70/1104503070.db2.gz NFKLZDFEOXUDQJ-WOJBJXKFSA-N 2 1 309.457 3.284 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246355208 1104505363 /nfs/dbraw/zinc/50/53/63/1104505363.db2.gz XVKBXTDHSHIPKA-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246361385 1104507399 /nfs/dbraw/zinc/50/73/99/1104507399.db2.gz NYRUAQPIRCIRPF-LZLYRXPVSA-N 2 1 307.526 3.150 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH2+]1 ZINC001246361664 1104507861 /nfs/dbraw/zinc/50/78/61/1104507861.db2.gz MVGFKTVRIYJANE-QYZOEREBSA-N 2 1 321.553 3.397 20 0 DGADMP CC[C@@H]1CC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246363194 1104509667 /nfs/dbraw/zinc/50/96/67/1104509667.db2.gz QTLDIBOWLGYSDZ-KURKYZTESA-N 2 1 307.526 3.150 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]CC1 ZINC001246378315 1104514844 /nfs/dbraw/zinc/51/48/44/1104514844.db2.gz VYNGOUIYIDGJTR-ACHSLPGTSA-N 2 1 314.473 3.298 20 0 DGADMP CCCCCC(CCCCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401989 1104528037 /nfs/dbraw/zinc/52/80/37/1104528037.db2.gz RIUTWTIJDMWNMX-INIZCTEOSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccncc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246406872 1104529778 /nfs/dbraw/zinc/52/97/78/1104529778.db2.gz PZFANEKOEPSYSL-ZBFHGGJFSA-N 2 1 323.431 3.302 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246415762 1104533272 /nfs/dbraw/zinc/53/32/72/1104533272.db2.gz ZOWOYQAMWJSVIN-QZTJIDSGSA-N 2 1 304.478 3.145 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246437223 1104539705 /nfs/dbraw/zinc/53/97/05/1104539705.db2.gz UBKATNIYDJCWCZ-WBVHZDCISA-N 2 1 302.462 3.138 20 0 DGADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCCNC2)cc1 ZINC001246447519 1104543752 /nfs/dbraw/zinc/54/37/52/1104543752.db2.gz REOJEJGWKYKFEP-VAMGGRTRSA-N 2 1 315.505 3.209 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCCNC2)cc1 ZINC001246447519 1104543756 /nfs/dbraw/zinc/54/37/56/1104543756.db2.gz REOJEJGWKYKFEP-VAMGGRTRSA-N 2 1 315.505 3.209 20 0 DGADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@@H](C)NC2)cc1 ZINC001246451213 1104544645 /nfs/dbraw/zinc/54/46/45/1104544645.db2.gz ZJEAADJOVONBBE-AFYVEPGGSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@@H](C)NC2)cc1 ZINC001246451213 1104544655 /nfs/dbraw/zinc/54/46/55/1104544655.db2.gz ZJEAADJOVONBBE-AFYVEPGGSA-N 2 1 315.505 3.207 20 0 DGADMP Fc1ccccc1[C@@H](CC1CCOCC1)[NH2+]C1CC[NH2+]CC1 ZINC001246456294 1104545498 /nfs/dbraw/zinc/54/54/98/1104545498.db2.gz KTKIUAFXYYZTEG-GOSISDBHSA-N 2 1 306.425 3.025 20 0 DGADMP c1ccc([C@@H](CC2CCOCC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246459843 1104547022 /nfs/dbraw/zinc/54/70/22/1104547022.db2.gz SRTZUANHCLBEQT-RBUKOAKNSA-N 2 1 302.462 3.276 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)C2 ZINC001246458718 1104547141 /nfs/dbraw/zinc/54/71/41/1104547141.db2.gz BKXRWJVNCPINNQ-QZTJIDSGSA-N 2 1 304.865 3.319 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CC2CCOCC2)c2ccccc2F)CC[NH2+]1 ZINC001246459822 1104548179 /nfs/dbraw/zinc/54/81/79/1104548179.db2.gz SRRUSNLXFXDIFF-IDHHARJASA-N 2 1 320.452 3.414 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2)cn1 ZINC001330422841 1104550282 /nfs/dbraw/zinc/55/02/82/1104550282.db2.gz FISOIHHFOVQERA-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)cn1 ZINC001330422841 1104550289 /nfs/dbraw/zinc/55/02/89/1104550289.db2.gz FISOIHHFOVQERA-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)cn1 ZINC001330422841 1104550298 /nfs/dbraw/zinc/55/02/98/1104550298.db2.gz FISOIHHFOVQERA-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246485331 1104561396 /nfs/dbraw/zinc/56/13/96/1104561396.db2.gz IFONWZWYKAPENU-OCCSQVGLSA-N 2 1 316.823 3.496 20 0 DGADMP CCc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246490581 1104563053 /nfs/dbraw/zinc/56/30/53/1104563053.db2.gz QZZORRYMSAAFAD-YOEHRIQHSA-N 2 1 310.432 3.405 20 0 DGADMP CCc1ccc(C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246490575 1104563418 /nfs/dbraw/zinc/56/34/18/1104563418.db2.gz QZZORRYMSAAFAD-WMLDXEAASA-N 2 1 310.432 3.405 20 0 DGADMP CCc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246490567 1104563449 /nfs/dbraw/zinc/56/34/49/1104563449.db2.gz QZZORRYMSAAFAD-RHSMWYFYSA-N 2 1 310.432 3.405 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246497962 1104566855 /nfs/dbraw/zinc/56/68/55/1104566855.db2.gz PKUNMJWWMWDPHY-VIQWUECVSA-N 3 1 307.526 3.140 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246501456 1104567138 /nfs/dbraw/zinc/56/71/38/1104567138.db2.gz SLRZKXRILREXJC-VHRBIJSZSA-N 2 1 324.266 3.036 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246498480 1104567402 /nfs/dbraw/zinc/56/74/02/1104567402.db2.gz RXRPEXLFRAWYBW-ROUUACIJSA-N 3 1 307.526 3.282 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1Br ZINC001246502002 1104567975 /nfs/dbraw/zinc/56/79/75/1104567975.db2.gz CLMCDQPAAHVEKI-OCCSQVGLSA-N 2 1 313.283 3.343 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001246504188 1104569194 /nfs/dbraw/zinc/56/91/94/1104569194.db2.gz NWPYKIVPLMFSNV-HNNXBMFYSA-N 2 1 320.477 3.292 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246511450 1104569584 /nfs/dbraw/zinc/56/95/84/1104569584.db2.gz JDJANFRJQZLMLP-KURKYZTESA-N 3 1 307.526 3.342 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246508670 1104570949 /nfs/dbraw/zinc/57/09/49/1104570949.db2.gz WPNDUVVGSCMPMF-DUXKGJEZSA-N 2 1 323.484 3.329 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N[C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246516323 1104574214 /nfs/dbraw/zinc/57/42/14/1104574214.db2.gz VKTDCKCRSMZQBK-QZTJIDSGSA-N 2 1 319.537 3.438 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(Cl)c3F)C[C@H]2CC1 ZINC001275002564 1104575768 /nfs/dbraw/zinc/57/57/68/1104575768.db2.gz WVYHLWDEPDWDHE-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3F)C[C@H]2CC1 ZINC001275002564 1104575774 /nfs/dbraw/zinc/57/57/74/1104575774.db2.gz WVYHLWDEPDWDHE-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3F)C[C@H]2CC1 ZINC001275002564 1104575782 /nfs/dbraw/zinc/57/57/82/1104575782.db2.gz WVYHLWDEPDWDHE-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246524807 1104577016 /nfs/dbraw/zinc/57/70/16/1104577016.db2.gz RZOLXOCVNKVEHC-OAHLLOKOSA-N 2 1 304.865 3.273 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246523550 1104577789 /nfs/dbraw/zinc/57/77/89/1104577789.db2.gz NSLCTJUARHAMAX-MRXNPFEDSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC[NH2+]1 ZINC001246533990 1104580028 /nfs/dbraw/zinc/58/00/28/1104580028.db2.gz PHLOFQPOCITEBB-IRXDYDNUSA-N 2 1 321.896 3.301 20 0 DGADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040533 1104585848 /nfs/dbraw/zinc/58/58/48/1104585848.db2.gz MRJBAJGIYQRVQV-PMACEKPBSA-N 2 1 319.537 3.082 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001246544228 1104586169 /nfs/dbraw/zinc/58/61/69/1104586169.db2.gz WUFDLWGNYYZMGH-HZPDHXFCSA-N 2 1 323.278 3.120 20 0 DGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246540775 1104586105 /nfs/dbraw/zinc/58/61/05/1104586105.db2.gz MNDQKTZMFIJOOK-DOERSZECSA-N 2 1 313.272 3.451 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246547250 1104588165 /nfs/dbraw/zinc/58/81/65/1104588165.db2.gz HOGBVMAVVRFIIY-NZSAHSFTSA-N 2 1 320.452 3.164 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246547250 1104588175 /nfs/dbraw/zinc/58/81/75/1104588175.db2.gz HOGBVMAVVRFIIY-NZSAHSFTSA-N 2 1 320.452 3.164 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246546277 1104588427 /nfs/dbraw/zinc/58/84/27/1104588427.db2.gz JNEHLAMTBKIKBD-CRAIPNDOSA-N 2 1 318.461 3.056 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246546277 1104588434 /nfs/dbraw/zinc/58/84/34/1104588434.db2.gz JNEHLAMTBKIKBD-CRAIPNDOSA-N 2 1 318.461 3.056 20 0 DGADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CC3CCCCC3)CC2)C1 ZINC001275038720 1104589448 /nfs/dbraw/zinc/58/94/48/1104589448.db2.gz HUYWZNJHNPNTKG-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001275039338 1104589660 /nfs/dbraw/zinc/58/96/60/1104589660.db2.gz NTEDGYAQUBBSLT-AYHJJNSGSA-N 2 1 302.466 3.075 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001275039338 1104589668 /nfs/dbraw/zinc/58/96/68/1104589668.db2.gz NTEDGYAQUBBSLT-AYHJJNSGSA-N 2 1 302.466 3.075 20 0 DGADMP COc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246552683 1104590180 /nfs/dbraw/zinc/59/01/80/1104590180.db2.gz YWACIXHZDYMATQ-SJLPKXTDSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246552683 1104590188 /nfs/dbraw/zinc/59/01/88/1104590188.db2.gz YWACIXHZDYMATQ-SJLPKXTDSA-N 2 1 302.462 3.220 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549285 1104590576 /nfs/dbraw/zinc/59/05/76/1104590576.db2.gz ICRWTIOOWFTSJY-HOJAQTOUSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549285 1104590585 /nfs/dbraw/zinc/59/05/85/1104590585.db2.gz ICRWTIOOWFTSJY-HOJAQTOUSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549285 1104590590 /nfs/dbraw/zinc/59/05/90/1104590590.db2.gz ICRWTIOOWFTSJY-HOJAQTOUSA-N 2 1 315.505 3.243 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246552794 1104590981 /nfs/dbraw/zinc/59/09/81/1104590981.db2.gz VIQCVYOXHADPRL-QAPCUYQASA-N 2 1 308.441 3.169 20 0 DGADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@](C)([NH3+])CC3)CCO2)cc1 ZINC001246552039 1104591268 /nfs/dbraw/zinc/59/12/68/1104591268.db2.gz NNVZJGSSFXZVBC-NZSAHSFTSA-N 2 1 318.461 3.119 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549904 1104591330 /nfs/dbraw/zinc/59/13/30/1104591330.db2.gz ICRZIMZBNYEYQS-ROUUACIJSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ccc(OC)cc3C2)CC[NH2+]1 ZINC001246549904 1104591341 /nfs/dbraw/zinc/59/13/41/1104591341.db2.gz ICRZIMZBNYEYQS-ROUUACIJSA-N 2 1 302.462 3.364 20 0 DGADMP F[C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246554916 1104593900 /nfs/dbraw/zinc/59/39/00/1104593900.db2.gz FJIBHPJNUMWQLJ-AWEZNQCLSA-N 2 1 304.400 3.368 20 0 DGADMP F[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246554916 1104593907 /nfs/dbraw/zinc/59/39/07/1104593907.db2.gz FJIBHPJNUMWQLJ-AWEZNQCLSA-N 2 1 304.400 3.368 20 0 DGADMP F[C@@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246562124 1104594735 /nfs/dbraw/zinc/59/47/35/1104594735.db2.gz YALWGNDLNSSVLL-SHARSMKWSA-N 2 1 304.400 3.368 20 0 DGADMP F[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246562124 1104594744 /nfs/dbraw/zinc/59/47/44/1104594744.db2.gz YALWGNDLNSSVLL-SHARSMKWSA-N 2 1 304.400 3.368 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001246560706 1104595517 /nfs/dbraw/zinc/59/55/17/1104595517.db2.gz SCLUOGZRCGLVQA-KZYLPZIUSA-N 2 1 324.509 3.194 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC[C@H]1C[NH3+] ZINC001246561491 1104596089 /nfs/dbraw/zinc/59/60/89/1104596089.db2.gz TZVQYAAYCMBERJ-INWMFGNUSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246562997 1104597119 /nfs/dbraw/zinc/59/71/19/1104597119.db2.gz IOKQUUZNRCDFMX-WXHSDQCUSA-N 2 1 312.379 3.020 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246564081 1104597161 /nfs/dbraw/zinc/59/71/61/1104597161.db2.gz YUAJHWQVNWNEPN-BHYGNILZSA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246562995 1104597192 /nfs/dbraw/zinc/59/71/92/1104597192.db2.gz IOKQUUZNRCDFMX-RTXFEEFZSA-N 2 1 312.379 3.020 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246570295 1104600186 /nfs/dbraw/zinc/60/01/86/1104600186.db2.gz OZMBXOWZKJQBKD-ONERCXAPSA-N 2 1 302.796 3.171 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246570295 1104600190 /nfs/dbraw/zinc/60/01/90/1104600190.db2.gz OZMBXOWZKJQBKD-ONERCXAPSA-N 2 1 302.796 3.171 20 0 DGADMP CC[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275061653 1104600988 /nfs/dbraw/zinc/60/09/88/1104600988.db2.gz JNOBIPNGBVMUFN-INIZCTEOSA-N 2 1 317.477 3.121 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[NH2+]C[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246572511 1104602034 /nfs/dbraw/zinc/60/20/34/1104602034.db2.gz NYVPQNXZOWKZAR-DMUMMCEESA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579793 1104603779 /nfs/dbraw/zinc/60/37/79/1104603779.db2.gz LJOVIKASFBXQOJ-CJNGLKHVSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579793 1104603787 /nfs/dbraw/zinc/60/37/87/1104603787.db2.gz LJOVIKASFBXQOJ-CJNGLKHVSA-N 2 1 314.445 3.459 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275068841 1104605352 /nfs/dbraw/zinc/60/53/52/1104605352.db2.gz AFOTVMOHQIYWSJ-UHFFFAOYSA-N 2 1 304.482 3.134 20 0 DGADMP c1ccc([C@H]2COCC[N@@H+]2C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246582914 1104606301 /nfs/dbraw/zinc/60/63/01/1104606301.db2.gz PBTBWPKTQVNAGU-IOJLRTSASA-N 2 1 314.473 3.372 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCCC[C@](C)(C[NH3+])C1)C2 ZINC001246583340 1104606466 /nfs/dbraw/zinc/60/64/66/1104606466.db2.gz JRKKDCYCZABITH-QFBILLFUSA-N 2 1 302.462 3.003 20 0 DGADMP CC1(C)COC2(CCC([N@H+]3CCCC[C@](C)(C[NH3+])C3)CC2)OC1 ZINC001246588491 1104608164 /nfs/dbraw/zinc/60/81/64/1104608164.db2.gz ZTGLXFUWDQSMEH-GOSISDBHSA-N 2 1 324.509 3.149 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H](C)N1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246587342 1104608302 /nfs/dbraw/zinc/60/83/02/1104608302.db2.gz RVCZEVRDRYOAQT-UEDFBRSZSA-N 2 1 315.505 3.110 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591171 1104610312 /nfs/dbraw/zinc/61/03/12/1104610312.db2.gz MFKQFPXGJPQOSU-ILXRZTDVSA-N 2 1 322.415 3.077 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591171 1104610317 /nfs/dbraw/zinc/61/03/17/1104610317.db2.gz MFKQFPXGJPQOSU-ILXRZTDVSA-N 2 1 322.415 3.077 20 0 DGADMP CCC[C@H](C)C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275074133 1104610324 /nfs/dbraw/zinc/61/03/24/1104610324.db2.gz PVPRLAPHDRXVEP-OALUTQOASA-N 2 1 309.542 3.162 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001246594352 1104613052 /nfs/dbraw/zinc/61/30/52/1104613052.db2.gz PZTSWYAKUXGROH-OAHLLOKOSA-N 2 1 321.896 3.370 20 0 DGADMP C[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246596443 1104613653 /nfs/dbraw/zinc/61/36/53/1104613653.db2.gz QFSSFLNJRQQAKK-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP CCCCCC[C@H](C)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246598710 1104616160 /nfs/dbraw/zinc/61/61/60/1104616160.db2.gz BALCROWBBKUYRN-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599250 1104616374 /nfs/dbraw/zinc/61/63/74/1104616374.db2.gz BQOGSJZQQFULHO-CEXWTWQISA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599250 1104616377 /nfs/dbraw/zinc/61/63/77/1104616377.db2.gz BQOGSJZQQFULHO-CEXWTWQISA-N 3 1 307.526 3.009 20 0 DGADMP c1nc2c(s1)C[C@@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)CC2 ZINC001246599321 1104616396 /nfs/dbraw/zinc/61/63/96/1104616396.db2.gz CFXPDAIRUNNZRM-YJBOKZPZSA-N 2 1 319.518 3.246 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](CC)C[C@H](C)CC)CC[NH2+]CC2 ZINC001246599537 1104616747 /nfs/dbraw/zinc/61/67/47/1104616747.db2.gz DQWOFJYCFOUTBB-ZACQAIPSSA-N 2 1 324.509 3.208 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600017 1104616759 /nfs/dbraw/zinc/61/67/59/1104616759.db2.gz CPWWRGOJWYGYIT-IEBWSBKVSA-N 2 1 324.509 3.354 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246601932 1104618220 /nfs/dbraw/zinc/61/82/20/1104618220.db2.gz HXVOWMDWDYTCII-CXAGYDPISA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246601932 1104618225 /nfs/dbraw/zinc/61/82/25/1104618225.db2.gz HXVOWMDWDYTCII-CXAGYDPISA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600903 1104618280 /nfs/dbraw/zinc/61/82/80/1104618280.db2.gz FDJNSVSVMNZPDY-PKOBYXMFSA-N 2 1 301.478 3.258 20 0 DGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246601340 1104618612 /nfs/dbraw/zinc/61/86/12/1104618612.db2.gz IBWLPBSCRBNSDQ-LJQANCHMSA-N 2 1 316.489 3.242 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246604366 1104619985 /nfs/dbraw/zinc/61/99/85/1104619985.db2.gz LGVOOVMAVHKRIM-HKUYNNGSSA-N 2 1 301.478 3.258 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246602939 1104620670 /nfs/dbraw/zinc/62/06/70/1104620670.db2.gz FGSVZHXIUVDOPK-VQIMIIECSA-N 2 1 320.427 3.430 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246604185 1104620827 /nfs/dbraw/zinc/62/08/27/1104620827.db2.gz GZTGUZYZVDFNKF-QFBILLFUSA-N 2 1 320.427 3.430 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246605731 1104622751 /nfs/dbraw/zinc/62/27/51/1104622751.db2.gz COKDMEKDWRGVSY-LADRWXRNSA-N 2 1 322.493 3.105 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246606910 1104624885 /nfs/dbraw/zinc/62/48/85/1104624885.db2.gz ONICCQJWPTUEHM-OALUTQOASA-N 2 1 302.437 3.291 20 0 DGADMP CCCCCC1CCC([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246612593 1104628385 /nfs/dbraw/zinc/62/83/85/1104628385.db2.gz AXIUXQHGGOZHKQ-BTRQGYIVSA-N 2 1 307.526 3.151 20 0 DGADMP CCOC(=O)C1(C)CCC([N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614689 1104629884 /nfs/dbraw/zinc/62/98/84/1104629884.db2.gz PGGUYTSVMVHMOW-NKELODKYSA-N 2 1 322.493 3.107 20 0 DGADMP CCOC(=O)C1(C)CCC([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614689 1104629888 /nfs/dbraw/zinc/62/98/88/1104629888.db2.gz PGGUYTSVMVHMOW-NKELODKYSA-N 2 1 322.493 3.107 20 0 DGADMP c1ccc(C2CCC([N@H+]3CCO[C@@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246616308 1104629941 /nfs/dbraw/zinc/62/99/41/1104629941.db2.gz GYSWWMUHGXTCTJ-SOAGJPPSSA-N 2 1 314.473 3.167 20 0 DGADMP c1ccc(C2CCC([N@@H+]3CCO[C@@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246616308 1104629944 /nfs/dbraw/zinc/62/99/44/1104629944.db2.gz GYSWWMUHGXTCTJ-SOAGJPPSSA-N 2 1 314.473 3.167 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246625135 1104633159 /nfs/dbraw/zinc/63/31/59/1104633159.db2.gz RIDCXTYFZCLQEI-JXFKEZNVSA-N 2 1 324.443 3.446 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246624450 1104633209 /nfs/dbraw/zinc/63/32/09/1104633209.db2.gz UYWGALNDFSCAOU-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246624450 1104633212 /nfs/dbraw/zinc/63/32/12/1104633212.db2.gz UYWGALNDFSCAOU-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246627219 1104634008 /nfs/dbraw/zinc/63/40/08/1104634008.db2.gz VOUICYBCHXUJAI-AOIWGVFYSA-N 2 1 316.489 3.269 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246628447 1104634612 /nfs/dbraw/zinc/63/46/12/1104634612.db2.gz LRNYGYYALBHXIM-CRAIPNDOSA-N 2 1 304.865 3.273 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246629784 1104636113 /nfs/dbraw/zinc/63/61/13/1104636113.db2.gz GPASUUQDAUVVKQ-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631050 1104636991 /nfs/dbraw/zinc/63/69/91/1104636991.db2.gz OKHDSSVMMGINHV-BBRMVZONSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631050 1104636997 /nfs/dbraw/zinc/63/69/97/1104636997.db2.gz OKHDSSVMMGINHV-BBRMVZONSA-N 2 1 323.278 3.066 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246631835 1104637099 /nfs/dbraw/zinc/63/70/99/1104637099.db2.gz SVIFSLVSZASDRE-VEDCXYSMSA-N 2 1 310.485 3.499 20 0 DGADMP CCCCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275126127 1104638149 /nfs/dbraw/zinc/63/81/49/1104638149.db2.gz FPVLRSSYGJEBTH-KDURUIRLSA-N 2 1 318.509 3.107 20 0 DGADMP CCCCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275126127 1104638153 /nfs/dbraw/zinc/63/81/53/1104638153.db2.gz FPVLRSSYGJEBTH-KDURUIRLSA-N 2 1 318.509 3.107 20 0 DGADMP CCCCCC[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275126127 1104638160 /nfs/dbraw/zinc/63/81/60/1104638160.db2.gz FPVLRSSYGJEBTH-KDURUIRLSA-N 2 1 318.509 3.107 20 0 DGADMP CCC[C@H](C)[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246633947 1104638342 /nfs/dbraw/zinc/63/83/42/1104638342.db2.gz GBEILISLVRXJNM-HNNXBMFYSA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246646748 1104643123 /nfs/dbraw/zinc/64/31/23/1104643123.db2.gz HTABIQCXBWFBAX-CFVMTHIKSA-N 2 1 312.379 3.178 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C2 ZINC001246647759 1104645271 /nfs/dbraw/zinc/64/52/71/1104645271.db2.gz UBFPDYABSHFVGA-ICSRJNTNSA-N 2 1 314.473 3.017 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647427 1104645440 /nfs/dbraw/zinc/64/54/40/1104645440.db2.gz SCAZMAHPPSXJCK-LPHOPBHVSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cccc(C[C@@H](C)[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001246649791 1104647372 /nfs/dbraw/zinc/64/73/72/1104647372.db2.gz FBMKTDAUDVLTDT-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001246649791 1104647376 /nfs/dbraw/zinc/64/73/76/1104647376.db2.gz FBMKTDAUDVLTDT-VQIMIIECSA-N 2 1 302.462 3.234 20 0 DGADMP Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246650468 1104647906 /nfs/dbraw/zinc/64/79/06/1104647906.db2.gz INFCXZCGVIBQCW-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246650468 1104647910 /nfs/dbraw/zinc/64/79/10/1104647910.db2.gz INFCXZCGVIBQCW-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP CCCCCC[C@@H](CCC)[N@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001246654700 1104649681 /nfs/dbraw/zinc/64/96/81/1104649681.db2.gz WPLNHPAFWJKAGC-MJGOQNOKSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@@H](CCC)[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246654700 1104649684 /nfs/dbraw/zinc/64/96/84/1104649684.db2.gz WPLNHPAFWJKAGC-MJGOQNOKSA-N 2 1 323.525 3.070 20 0 DGADMP CCCCCC[C@@H](CCC)[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246654700 1104649688 /nfs/dbraw/zinc/64/96/88/1104649688.db2.gz WPLNHPAFWJKAGC-MJGOQNOKSA-N 2 1 323.525 3.070 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001246662112 1104652569 /nfs/dbraw/zinc/65/25/69/1104652569.db2.gz VXRSFRGKWIERCH-GOSISDBHSA-N 2 1 321.553 3.492 20 0 DGADMP CN1C(C)(C)CC([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001246662112 1104652573 /nfs/dbraw/zinc/65/25/73/1104652573.db2.gz VXRSFRGKWIERCH-GOSISDBHSA-N 2 1 321.553 3.492 20 0 DGADMP CN1C(C)(C)CC([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001246662112 1104652578 /nfs/dbraw/zinc/65/25/78/1104652578.db2.gz VXRSFRGKWIERCH-GOSISDBHSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)(C)CC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275151513 1104653530 /nfs/dbraw/zinc/65/35/30/1104653530.db2.gz HUSRLRAWSINGFV-UHFFFAOYSA-N 2 1 318.509 3.107 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666160 1104654150 /nfs/dbraw/zinc/65/41/50/1104654150.db2.gz HTABIQCXBWFBAX-BPLDGKMQSA-N 2 1 312.379 3.178 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676081 1104657323 /nfs/dbraw/zinc/65/73/23/1104657323.db2.gz CBYQJDGHIWWYQX-GXTWGEPZSA-N 2 1 312.379 3.178 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)CC1CC[NH2+]CC1)CC2 ZINC001246677962 1104658748 /nfs/dbraw/zinc/65/87/48/1104658748.db2.gz AZWAQFJMAWZQRO-AWEZNQCLSA-N 2 1 322.880 3.137 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CC[NH2+]2 ZINC001246677136 1104659086 /nfs/dbraw/zinc/65/90/86/1104659086.db2.gz GRWDDCIZBZAWFT-GBESFXJTSA-N 3 1 319.537 3.153 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679777 1104660042 /nfs/dbraw/zinc/66/00/42/1104660042.db2.gz XONDXFQINYZDNG-GBESFXJTSA-N 3 1 309.542 3.209 20 0 DGADMP CCCC[C@H](CCC)[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246683246 1104660564 /nfs/dbraw/zinc/66/05/64/1104660564.db2.gz QCXTWYZGVLDTNL-LNLFQRSKSA-N 2 1 324.509 3.210 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246691540 1104661924 /nfs/dbraw/zinc/66/19/24/1104661924.db2.gz LFTVXLOOVXKTER-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP Clc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246689099 1104662090 /nfs/dbraw/zinc/66/20/90/1104662090.db2.gz SDTIMYMCAUAYTA-ALXJQNPVSA-N 2 1 319.880 3.135 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)C2 ZINC001246707053 1104665835 /nfs/dbraw/zinc/66/58/35/1104665835.db2.gz YRRHILPDZYHBGD-FQBWVUSXSA-N 2 1 308.510 3.434 20 0 DGADMP COc1ccccc1CC1CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246704724 1104666082 /nfs/dbraw/zinc/66/60/82/1104666082.db2.gz XHMBQVFXMCNRBF-SFHVURJKSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccccc1C[N@@H+](C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246771216 1104666813 /nfs/dbraw/zinc/66/68/13/1104666813.db2.gz WTQGYNINECGFAT-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246773536 1104667622 /nfs/dbraw/zinc/66/76/22/1104667622.db2.gz AIROYRVUHSMDGQ-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246773536 1104667628 /nfs/dbraw/zinc/66/76/28/1104667628.db2.gz AIROYRVUHSMDGQ-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC001246777166 1104668634 /nfs/dbraw/zinc/66/86/34/1104668634.db2.gz RCPZTLCNISGJNL-CEXWTWQISA-N 2 1 315.505 3.142 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246779032 1104668773 /nfs/dbraw/zinc/66/87/73/1104668773.db2.gz OVWZJPHWYOKZNE-HUUCEWRRSA-N 2 1 311.267 3.412 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)cc1 ZINC001246781486 1104670979 /nfs/dbraw/zinc/67/09/79/1104670979.db2.gz GBBJJKSKAXPVJV-GPMSIDNRSA-N 2 1 302.462 3.367 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246783001 1104671700 /nfs/dbraw/zinc/67/17/00/1104671700.db2.gz VEJXIMFPXPQBQG-GXTWGEPZSA-N 2 1 316.367 3.187 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@@H](CC)[NH2+]1 ZINC001246782820 1104672036 /nfs/dbraw/zinc/67/20/36/1104672036.db2.gz UYDZAGXXCSSYQI-QZTJIDSGSA-N 3 1 309.542 3.348 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC001246784617 1104673209 /nfs/dbraw/zinc/67/32/09/1104673209.db2.gz GWFXHDGQMCBXDP-WFVVYAPDSA-N 2 1 316.445 3.124 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246784635 1104673916 /nfs/dbraw/zinc/67/39/16/1104673916.db2.gz HGFDCULXXBUGSW-AOIWGVFYSA-N 2 1 302.462 3.451 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246784606 1104673923 /nfs/dbraw/zinc/67/39/23/1104673923.db2.gz YVQNCHINLVUSFF-NLWGTHIKSA-N 2 1 314.473 3.370 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC001246784614 1104673931 /nfs/dbraw/zinc/67/39/31/1104673931.db2.gz GWFXHDGQMCBXDP-FCLJQHQZSA-N 2 1 316.445 3.124 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246786346 1104675157 /nfs/dbraw/zinc/67/51/57/1104675157.db2.gz NWFXWQMOGVPDOC-VAMGGRTRSA-N 2 1 314.473 3.200 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789213 1104676405 /nfs/dbraw/zinc/67/64/05/1104676405.db2.gz UNCQQJSBZVDMKU-IRXDYDNUSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789213 1104676408 /nfs/dbraw/zinc/67/64/08/1104676408.db2.gz UNCQQJSBZVDMKU-IRXDYDNUSA-N 2 1 320.477 3.446 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246789656 1104676724 /nfs/dbraw/zinc/67/67/24/1104676724.db2.gz DPVGJAAJMQNOMJ-AABGKKOBSA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792565 1104677420 /nfs/dbraw/zinc/67/74/20/1104677420.db2.gz RBXFZKJABQDTKQ-QYZOEREBSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792565 1104677425 /nfs/dbraw/zinc/67/74/25/1104677425.db2.gz RBXFZKJABQDTKQ-QYZOEREBSA-N 2 1 302.462 3.054 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246792307 1104678190 /nfs/dbraw/zinc/67/81/90/1104678190.db2.gz USEFLZCETZNYSG-BBWFWOEESA-N 2 1 324.509 3.351 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCC[C@H](Oc3cccnc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246794942 1104679567 /nfs/dbraw/zinc/67/95/67/1104679567.db2.gz GNTCKMRJHOMEFD-MDZRGWNJSA-N 2 1 317.477 3.234 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246804083 1104681894 /nfs/dbraw/zinc/68/18/94/1104681894.db2.gz LAXMNSSRDREION-HBUWYVDXSA-N 2 1 320.502 3.314 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246804083 1104681899 /nfs/dbraw/zinc/68/18/99/1104681899.db2.gz LAXMNSSRDREION-HBUWYVDXSA-N 2 1 320.502 3.314 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246814785 1104688687 /nfs/dbraw/zinc/68/86/87/1104688687.db2.gz RZQWTOSFJAYGOA-MJGOQNOKSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001246822574 1104691537 /nfs/dbraw/zinc/69/15/37/1104691537.db2.gz BZIHSCSWZDPTSK-KVSKMBFKSA-N 2 1 302.462 3.134 20 0 DGADMP Brc1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246823546 1104692863 /nfs/dbraw/zinc/69/28/63/1104692863.db2.gz PXYIMJHUNOYPOX-GDBMZVCRSA-N 2 1 323.278 3.381 20 0 DGADMP Cc1ccc(Cl)nc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275265237 1104696920 /nfs/dbraw/zinc/69/69/20/1104696920.db2.gz LCGZWOXLURZASW-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246840440 1104700866 /nfs/dbraw/zinc/70/08/66/1104700866.db2.gz OLYIZHRYEHISFS-KYHPRHEASA-N 2 1 320.477 3.061 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246841314 1104701455 /nfs/dbraw/zinc/70/14/55/1104701455.db2.gz AQWKLEAYXQEFJL-FGTMMUONSA-N 2 1 302.462 3.225 20 0 DGADMP c1ccc([C@H]2CCC[C@@H]([N@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843295 1104702677 /nfs/dbraw/zinc/70/26/77/1104702677.db2.gz FPDZCPADVOYQQQ-PKOBYXMFSA-N 2 1 314.473 3.166 20 0 DGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+](C3COC3)C3CC[NH2+]CC3)C2)cc1 ZINC001246843295 1104702682 /nfs/dbraw/zinc/70/26/82/1104702682.db2.gz FPDZCPADVOYQQQ-PKOBYXMFSA-N 2 1 314.473 3.166 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(C)c1C ZINC001275281382 1104705430 /nfs/dbraw/zinc/70/54/30/1104705430.db2.gz YVZZMBQKNKSZHA-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1C ZINC001275281256 1104705604 /nfs/dbraw/zinc/70/56/04/1104705604.db2.gz UBUBKGXPRXLOJH-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1C ZINC001275281256 1104705613 /nfs/dbraw/zinc/70/56/13/1104705613.db2.gz UBUBKGXPRXLOJH-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1C ZINC001275281256 1104705621 /nfs/dbraw/zinc/70/56/21/1104705621.db2.gz UBUBKGXPRXLOJH-IBGZPJMESA-N 2 1 302.462 3.230 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246847634 1104705907 /nfs/dbraw/zinc/70/59/07/1104705907.db2.gz WGXXCKCWFHVOLO-ZWKOTPCHSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246847634 1104705914 /nfs/dbraw/zinc/70/59/14/1104705914.db2.gz WGXXCKCWFHVOLO-ZWKOTPCHSA-N 2 1 324.424 3.340 20 0 DGADMP CCN([C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246852105 1104706475 /nfs/dbraw/zinc/70/64/75/1104706475.db2.gz PFBZYAIYWVLICJ-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP c1ccc(C[C@@H]2C[C@H]([NH+]3CC(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246851022 1104706489 /nfs/dbraw/zinc/70/64/89/1104706489.db2.gz XUBOOCZLOYOLDH-NHCUHLMSSA-N 2 1 306.453 3.449 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246849327 1104707551 /nfs/dbraw/zinc/70/75/51/1104707551.db2.gz ZRENQNUQBYUHCQ-VHDGCEQUSA-N 2 1 312.379 3.178 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246848575 1104707594 /nfs/dbraw/zinc/70/75/94/1104707594.db2.gz CIUPVZFUZHQDQY-UKPHBRMFSA-N 2 1 308.853 3.324 20 0 DGADMP CC[C@H]1C[C@@H](N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246860464 1104710406 /nfs/dbraw/zinc/71/04/06/1104710406.db2.gz SDAHFTVONNKOAL-UFYCRDLUSA-N 2 1 315.505 3.113 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246862691 1104711679 /nfs/dbraw/zinc/71/16/79/1104711679.db2.gz MPPFQIDKCHJZGV-QUCCMNQESA-N 2 1 316.489 3.482 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865687 1104712555 /nfs/dbraw/zinc/71/25/55/1104712555.db2.gz WKJWIILNNVHYSD-NEPJUHHUSA-N 2 1 316.823 3.481 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865687 1104712563 /nfs/dbraw/zinc/71/25/63/1104712563.db2.gz WKJWIILNNVHYSD-NEPJUHHUSA-N 2 1 316.823 3.481 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246864977 1104713196 /nfs/dbraw/zinc/71/31/96/1104713196.db2.gz QZYIPWUHDXUAIF-BXUZGUMPSA-N 2 1 313.272 3.392 20 0 DGADMP CCOC(=O)[C@@]1(C)CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246866188 1104713508 /nfs/dbraw/zinc/71/35/08/1104713508.db2.gz AVIFJACHHJXITE-WMZOPIPTSA-N 2 1 322.493 3.107 20 0 DGADMP CCCCCC1CCC([NH+]2CCC([C@@H]([NH3+])C(=O)OC)CC2)CC1 ZINC001246868920 1104714591 /nfs/dbraw/zinc/71/45/91/1104714591.db2.gz PPTKOIQMOJSADF-VMWRSERWSA-N 2 1 324.509 3.338 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246873763 1104715705 /nfs/dbraw/zinc/71/57/05/1104715705.db2.gz ALFJEKSGNGMOAQ-ROUUACIJSA-N 2 1 314.473 3.407 20 0 DGADMP CCCCCC1CCC([N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CC1 ZINC001246873514 1104715761 /nfs/dbraw/zinc/71/57/61/1104715761.db2.gz SKEHNAZGHRCHCT-NKELODKYSA-N 2 1 307.526 3.233 20 0 DGADMP Cc1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001246882269 1104721109 /nfs/dbraw/zinc/72/11/09/1104721109.db2.gz YFZXONABGYBGEP-QIJUGHKUSA-N 2 1 320.480 3.399 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC001246911228 1104734248 /nfs/dbraw/zinc/73/42/48/1104734248.db2.gz AHTCGKICVWQXLM-RYQLBKOJSA-N 2 1 302.462 3.090 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246914453 1104734946 /nfs/dbraw/zinc/73/49/46/1104734946.db2.gz LCQNEHVZVKHYGU-KAKFPZCNSA-N 2 1 314.473 3.233 20 0 DGADMP CN([C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246918596 1104736650 /nfs/dbraw/zinc/73/66/50/1104736650.db2.gz LHXAEEHTBRZFRC-HSALFYBXSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246931657 1104741150 /nfs/dbraw/zinc/74/11/50/1104741150.db2.gz BKZOLBKWZYXTCH-WTLGNFPFSA-N 2 1 320.452 3.336 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246931657 1104741152 /nfs/dbraw/zinc/74/11/52/1104741152.db2.gz BKZOLBKWZYXTCH-WTLGNFPFSA-N 2 1 320.452 3.336 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938334 1104744258 /nfs/dbraw/zinc/74/42/58/1104744258.db2.gz PCOOEAPMOBNZPX-SJORKVTESA-N 2 1 324.509 3.351 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246939123 1104744593 /nfs/dbraw/zinc/74/45/93/1104744593.db2.gz BIWWNMVLICEQRS-GGPKGHCWSA-N 2 1 314.473 3.407 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945396 1104746587 /nfs/dbraw/zinc/74/65/87/1104746587.db2.gz LPUFNOFZXLFMFR-BZSNNMDCSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246945669 1104746729 /nfs/dbraw/zinc/74/67/29/1104746729.db2.gz HUXFYTUKVJSRET-IEBWSBKVSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@H+](C1CCNCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246945669 1104746731 /nfs/dbraw/zinc/74/67/31/1104746731.db2.gz HUXFYTUKVJSRET-IEBWSBKVSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246945669 1104746735 /nfs/dbraw/zinc/74/67/35/1104746735.db2.gz HUXFYTUKVJSRET-IEBWSBKVSA-N 2 1 307.526 3.009 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246945120 1104747433 /nfs/dbraw/zinc/74/74/33/1104747433.db2.gz FMUHSSGBCXKOKL-WBVHZDCISA-N 2 1 324.509 3.208 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C[C@H]1C ZINC001246953179 1104750879 /nfs/dbraw/zinc/75/08/79/1104750879.db2.gz MJZVMUVPAWSEJV-GPMSIDNRSA-N 2 1 301.478 3.460 20 0 DGADMP CC(C)C[N@@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@@H]1CCCNC1 ZINC001246953963 1104751062 /nfs/dbraw/zinc/75/10/62/1104751062.db2.gz WHRGMAYHKGLRSJ-JLAWEPINSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)N([C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246956109 1104752972 /nfs/dbraw/zinc/75/29/72/1104752972.db2.gz VXJYQWCNEDNVHH-SXLOBPIMSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246963811 1104753802 /nfs/dbraw/zinc/75/38/02/1104753802.db2.gz ZODPEZTVZJDCGB-HGKCTWBKSA-N 2 1 302.437 3.487 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC[NH2+]1 ZINC001246965293 1104754220 /nfs/dbraw/zinc/75/42/20/1104754220.db2.gz GYJZWQIFQIVRBH-SQNIBIBYSA-N 2 1 317.477 3.154 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ccncc3C)C2)CC[NH2+]1 ZINC001246974038 1104756420 /nfs/dbraw/zinc/75/64/20/1104756420.db2.gz POJNWXNYWQUORS-FGTMMUONSA-N 2 1 317.477 3.154 20 0 DGADMP CCC(CC)[N@@H+]([C@H](C)c1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246973488 1104757024 /nfs/dbraw/zinc/75/70/24/1104757024.db2.gz JTESSVGPWJAZKG-VQIMIIECSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246975788 1104758458 /nfs/dbraw/zinc/75/84/58/1104758458.db2.gz OXLRMYBGMVNOJF-KNPMLCFXSA-N 2 1 310.894 3.490 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246979955 1104761412 /nfs/dbraw/zinc/76/14/12/1104761412.db2.gz PKUWLGWQLSSWBV-IEBWSBKVSA-N 2 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246979955 1104761413 /nfs/dbraw/zinc/76/14/13/1104761413.db2.gz PKUWLGWQLSSWBV-IEBWSBKVSA-N 2 1 309.542 3.494 20 0 DGADMP CC[C@@H]1C[C@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC001246988032 1104765369 /nfs/dbraw/zinc/76/53/69/1104765369.db2.gz WJYHNPKCZISXTQ-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@](C)(C[NH3+])C1)CC2 ZINC001247000344 1104771253 /nfs/dbraw/zinc/77/12/53/1104771253.db2.gz HWXVRRGQMHQXAA-SCLBCKFNSA-N 2 1 322.880 3.267 20 0 DGADMP Fc1cc2c(cc1F)C[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001247006917 1104773723 /nfs/dbraw/zinc/77/37/23/1104773723.db2.gz XSUVHDCBDJCYBV-CRAIPNDOSA-N 2 1 306.400 3.245 20 0 DGADMP CCSC[C@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247007467 1104774270 /nfs/dbraw/zinc/77/42/70/1104774270.db2.gz WWLRJSVDJIJVOX-HNNXBMFYSA-N 2 1 304.503 3.265 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1Cc3ccccc3C13CC[NH2+]CC3)C2 ZINC001247007714 1104774783 /nfs/dbraw/zinc/77/47/83/1104774783.db2.gz GSAHQARISMRQPF-QGZVFWFLSA-N 2 1 322.427 3.387 20 0 DGADMP CCCCC[C@@H](CCC)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247009168 1104775998 /nfs/dbraw/zinc/77/59/98/1104775998.db2.gz OVNVDLHYCUEJBT-SJORKVTESA-N 2 1 324.509 3.210 20 0 DGADMP CCCCCC[C@H](CC)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247010893 1104776143 /nfs/dbraw/zinc/77/61/43/1104776143.db2.gz WLMYMFLWWDGGEJ-IRXDYDNUSA-N 2 1 324.509 3.210 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247013208 1104777072 /nfs/dbraw/zinc/77/70/72/1104777072.db2.gz GEENHDQQUWKPIA-SZMVWBNQSA-N 2 1 304.865 3.271 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247015808 1104779961 /nfs/dbraw/zinc/77/99/61/1104779961.db2.gz QEWSGRWHFLUMGY-DAYGRLMNSA-N 2 1 304.865 3.271 20 0 DGADMP COc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275531061 1104794497 /nfs/dbraw/zinc/79/44/97/1104794497.db2.gz DYQVPYNZDMHYCC-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275531061 1104794503 /nfs/dbraw/zinc/79/45/03/1104794503.db2.gz DYQVPYNZDMHYCC-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C)c1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275531061 1104794509 /nfs/dbraw/zinc/79/45/09/1104794509.db2.gz DYQVPYNZDMHYCC-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C)c1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275531061 1104794512 /nfs/dbraw/zinc/79/45/12/1104794512.db2.gz DYQVPYNZDMHYCC-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3c(Cl)ccnc3F)CC2)C1 ZINC001275532694 1104794776 /nfs/dbraw/zinc/79/47/76/1104794776.db2.gz SUYJEHNCBQUYAO-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577554 1104817823 /nfs/dbraw/zinc/81/78/23/1104817823.db2.gz DMYUWQDAJIGGOC-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577554 1104817831 /nfs/dbraw/zinc/81/78/31/1104817831.db2.gz DMYUWQDAJIGGOC-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577554 1104817838 /nfs/dbraw/zinc/81/78/38/1104817838.db2.gz DMYUWQDAJIGGOC-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)C2 ZINC001275577554 1104817846 /nfs/dbraw/zinc/81/78/46/1104817846.db2.gz DMYUWQDAJIGGOC-QGZVFWFLSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630770 1104839977 /nfs/dbraw/zinc/83/99/77/1104839977.db2.gz NOPPJMQMUVRCPX-HXUWFJFHSA-N 2 1 314.473 3.319 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630770 1104839980 /nfs/dbraw/zinc/83/99/80/1104839980.db2.gz NOPPJMQMUVRCPX-HXUWFJFHSA-N 2 1 314.473 3.319 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630770 1104839986 /nfs/dbraw/zinc/83/99/86/1104839986.db2.gz NOPPJMQMUVRCPX-HXUWFJFHSA-N 2 1 314.473 3.319 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)C1 ZINC001275630770 1104839989 /nfs/dbraw/zinc/83/99/89/1104839989.db2.gz NOPPJMQMUVRCPX-HXUWFJFHSA-N 2 1 314.473 3.319 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1OC ZINC001275811949 1104917265 /nfs/dbraw/zinc/91/72/65/1104917265.db2.gz ZPPZXVLJLJJPEH-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP CCOc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(F)c1F ZINC001275823035 1104922930 /nfs/dbraw/zinc/92/29/30/1104922930.db2.gz VQFIILJLTIGJLK-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(F)c1F ZINC001275823035 1104922932 /nfs/dbraw/zinc/92/29/32/1104922932.db2.gz VQFIILJLTIGJLK-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001275853047 1104932844 /nfs/dbraw/zinc/93/28/44/1104932844.db2.gz KOXCSAPYRCQCAD-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001275855664 1104933468 /nfs/dbraw/zinc/93/34/68/1104933468.db2.gz PXDJLQYEXAUJKX-MQVJKMGUSA-N 2 1 316.474 3.065 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001275855664 1104933472 /nfs/dbraw/zinc/93/34/72/1104933472.db2.gz PXDJLQYEXAUJKX-MQVJKMGUSA-N 2 1 316.474 3.065 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC001275884669 1104943398 /nfs/dbraw/zinc/94/33/98/1104943398.db2.gz DFDILNCVVFDVBI-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCOCc1ccccc1)C2 ZINC001275971918 1104973528 /nfs/dbraw/zinc/97/35/28/1104973528.db2.gz ZNRAFVKIHQWTGS-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCOCc1ccccc1)C2 ZINC001275971918 1104973533 /nfs/dbraw/zinc/97/35/33/1104973533.db2.gz ZNRAFVKIHQWTGS-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCOCc1ccccc1)C2 ZINC001275971918 1104973536 /nfs/dbraw/zinc/97/35/36/1104973536.db2.gz ZNRAFVKIHQWTGS-HXUWFJFHSA-N 2 1 316.489 3.401 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c4cccc(O)c34)CC2)C1 ZINC001275984061 1104978365 /nfs/dbraw/zinc/97/83/65/1104978365.db2.gz HLEGYYZFQUKVJV-UHFFFAOYSA-N 2 1 313.445 3.181 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4scnc4c3)C[C@H]2CC1 ZINC001276000223 1104984256 /nfs/dbraw/zinc/98/42/56/1104984256.db2.gz WGTUTHDQQMWMKC-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4scnc4c3)C[C@H]2CC1 ZINC001276000223 1104984261 /nfs/dbraw/zinc/98/42/61/1104984261.db2.gz WGTUTHDQQMWMKC-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4scnc4c3)C[C@H]2CC1 ZINC001276000223 1104984264 /nfs/dbraw/zinc/98/42/64/1104984264.db2.gz WGTUTHDQQMWMKC-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP Cc1cc(Cl)ncc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276083501 1105010685 /nfs/dbraw/zinc/01/06/85/1105010685.db2.gz NSGNSXLGVSNYQO-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001276129464 1105025523 /nfs/dbraw/zinc/02/55/23/1105025523.db2.gz ROZRAPKPEAMUCK-IFXJQAMLSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001276129464 1105025529 /nfs/dbraw/zinc/02/55/29/1105025529.db2.gz ROZRAPKPEAMUCK-IFXJQAMLSA-N 2 1 310.445 3.012 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(-c3ncccn3)c1)CC2 ZINC001276173243 1105036829 /nfs/dbraw/zinc/03/68/29/1105036829.db2.gz AAIUJIKNAOYMOH-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc3occc3c2)no1 ZINC001248194467 1105065633 /nfs/dbraw/zinc/06/56/33/1105065633.db2.gz IYZMPACQFQNAQG-AWEZNQCLSA-N 2 1 314.389 3.215 20 0 DGADMP Cc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248193963 1105065653 /nfs/dbraw/zinc/06/56/53/1105065653.db2.gz FUFLFIYVYOMARI-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP Cc1c(Cl)cccc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248194899 1105065932 /nfs/dbraw/zinc/06/59/32/1105065932.db2.gz QFHWEDJJSYJWTO-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP C[NH2+][C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC001248242167 1105078753 /nfs/dbraw/zinc/07/87/53/1105078753.db2.gz KIERBEDTTQLZHI-KRWDZBQOSA-N 2 1 322.412 3.107 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4nc(C)ccc34)C[C@@H]2C1 ZINC001248577094 1105130918 /nfs/dbraw/zinc/13/09/18/1105130918.db2.gz BEHVITALSFGCPU-HDICACEKSA-N 2 1 309.457 3.317 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)c2ccnc(Cl)c12 ZINC001248839044 1105175554 /nfs/dbraw/zinc/17/55/54/1105175554.db2.gz SVJIUSKASVSUTA-UHFFFAOYSA-N 2 1 308.857 3.000 20 0 DGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)nc1C ZINC001249029834 1105214600 /nfs/dbraw/zinc/21/46/00/1105214600.db2.gz YVIQCDZJTWOXMJ-UHFFFAOYSA-N 2 1 307.869 3.270 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137395350 1105512929 /nfs/dbraw/zinc/51/29/29/1105512929.db2.gz ZIBHDKZFFOEPEV-WOJBJXKFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137395350 1105512934 /nfs/dbraw/zinc/51/29/34/1105512934.db2.gz ZIBHDKZFFOEPEV-WOJBJXKFSA-N 2 1 307.441 3.132 20 0 DGADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc2c1OCC=C2 ZINC001250510123 1105527670 /nfs/dbraw/zinc/52/76/70/1105527670.db2.gz KSXQVBOGAJDIJJ-UHFFFAOYSA-N 2 1 316.445 3.019 20 0 DGADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc2c1OCC=C2 ZINC001250510123 1105527676 /nfs/dbraw/zinc/52/76/76/1105527676.db2.gz KSXQVBOGAJDIJJ-UHFFFAOYSA-N 2 1 316.445 3.019 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252113771 1105742726 /nfs/dbraw/zinc/74/27/26/1105742726.db2.gz IUVWWHSCWUGHST-HAGHYFMRSA-N 2 1 316.489 3.323 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001253175540 1105899218 /nfs/dbraw/zinc/89/92/18/1105899218.db2.gz ONLUABRQWISFPV-IBGZPJMESA-N 2 1 312.457 3.146 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001253192686 1105901179 /nfs/dbraw/zinc/90/11/79/1105901179.db2.gz WWHOQNSSDMLSED-WOJBJXKFSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC(C)C)c1cccc(F)c1 ZINC001253210469 1105903812 /nfs/dbraw/zinc/90/38/12/1105903812.db2.gz NQJZJBAJOLEFGN-QZTJIDSGSA-N 2 1 310.457 3.205 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC001253213811 1105903897 /nfs/dbraw/zinc/90/38/97/1105903897.db2.gz MJHMQIJGDHPKIU-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccc(F)cc1 ZINC001253210844 1105904038 /nfs/dbraw/zinc/90/40/38/1105904038.db2.gz PEGIFGMCTPJWSG-ROUUACIJSA-N 2 1 310.457 3.205 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC001253216567 1105904828 /nfs/dbraw/zinc/90/48/28/1105904828.db2.gz NPTHMVRGLFNNNC-GUYCJALGSA-N 2 1 310.869 3.010 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CC1CC1)c1cccc(F)c1 ZINC001253411385 1105937179 /nfs/dbraw/zinc/93/71/79/1105937179.db2.gz KDSISVLSPXRTGH-DLBZAZTESA-N 2 1 308.441 3.006 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC001253412408 1105937186 /nfs/dbraw/zinc/93/71/86/1105937186.db2.gz HDVMGDJDPIPJRL-LRDDRELGSA-N 2 1 310.869 3.056 20 0 DGADMP CCCCC[C@H](O)CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253526666 1105950592 /nfs/dbraw/zinc/95/05/92/1105950592.db2.gz BHHJYNVMZNOLKU-SFHVURJKSA-N 2 1 308.510 3.268 20 0 DGADMP CCCCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001253526666 1105950594 /nfs/dbraw/zinc/95/05/94/1105950594.db2.gz BHHJYNVMZNOLKU-SFHVURJKSA-N 2 1 308.510 3.268 20 0 DGADMP CCCCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253526666 1105950597 /nfs/dbraw/zinc/95/05/97/1105950597.db2.gz BHHJYNVMZNOLKU-SFHVURJKSA-N 2 1 308.510 3.268 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253730690 1105975318 /nfs/dbraw/zinc/97/53/18/1105975318.db2.gz GSDPGVGLMQWFJC-SFHVURJKSA-N 2 1 322.468 3.129 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253730690 1105975321 /nfs/dbraw/zinc/97/53/21/1105975321.db2.gz GSDPGVGLMQWFJC-SFHVURJKSA-N 2 1 322.468 3.129 20 0 DGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253731723 1105975957 /nfs/dbraw/zinc/97/59/57/1105975957.db2.gz USTOSDICYCVCKI-SFHVURJKSA-N 2 1 322.468 3.129 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253731723 1105975963 /nfs/dbraw/zinc/97/59/63/1105975963.db2.gz USTOSDICYCVCKI-SFHVURJKSA-N 2 1 322.468 3.129 20 0 DGADMP C[C@@H]1CCCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254034500 1106011223 /nfs/dbraw/zinc/01/12/23/1106011223.db2.gz LMPRSRXCAHDVEY-GOSISDBHSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@H]1CCCCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254037792 1106011714 /nfs/dbraw/zinc/01/17/14/1106011714.db2.gz SRZWADILXNWQSR-SFHVURJKSA-N 2 1 316.489 3.278 20 0 DGADMP FC1(F)CCC([N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)CC1 ZINC001254219352 1106038001 /nfs/dbraw/zinc/03/80/01/1106038001.db2.gz IGDWNUZSTXRXIU-IYBDPMFKSA-N 2 1 321.415 3.023 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@@H]21 ZINC001254384279 1106062784 /nfs/dbraw/zinc/06/27/84/1106062784.db2.gz MARGFFMYGIXVEO-KNTRFNDTSA-N 2 1 314.473 3.276 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+]([C@H]2CCCOC2)C3)cc1 ZINC001254389179 1106063820 /nfs/dbraw/zinc/06/38/20/1106063820.db2.gz OHTINIWCJWXKRZ-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+]([C@H]2CCCOC2)C3)cc1 ZINC001254389179 1106063823 /nfs/dbraw/zinc/06/38/23/1106063823.db2.gz OHTINIWCJWXKRZ-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+]([C@H]2CCCOC2)C3)cc1 ZINC001254389179 1106063825 /nfs/dbraw/zinc/06/38/25/1106063825.db2.gz OHTINIWCJWXKRZ-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001254501895 1106084087 /nfs/dbraw/zinc/08/40/87/1106084087.db2.gz ZUZKNROJZNZQQO-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001254501895 1106084083 /nfs/dbraw/zinc/08/40/83/1106084083.db2.gz ZUZKNROJZNZQQO-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP COc1ccc2cccc(CC[NH2+][C@H]3CCC[N@@H+](C)CC3)c2c1 ZINC001254509324 1106087566 /nfs/dbraw/zinc/08/75/66/1106087566.db2.gz YVUOAUXNTYVAIA-SFHVURJKSA-N 2 1 312.457 3.465 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254522192 1106089637 /nfs/dbraw/zinc/08/96/37/1106089637.db2.gz DOEQQTFSCCMDPU-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254522192 1106089642 /nfs/dbraw/zinc/08/96/42/1106089642.db2.gz DOEQQTFSCCMDPU-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254522192 1106089643 /nfs/dbraw/zinc/08/96/43/1106089643.db2.gz DOEQQTFSCCMDPU-IAGOWNOFSA-N 2 1 318.461 3.023 20 0 DGADMP COc1ccccc1CC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254518056 1106089837 /nfs/dbraw/zinc/08/98/37/1106089837.db2.gz AJKPVRCKJRZVDV-IBGZPJMESA-N 2 1 316.489 3.434 20 0 DGADMP Cc1ccc(OC2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254522439 1106091146 /nfs/dbraw/zinc/09/11/46/1106091146.db2.gz GCYGGERSRGGCLX-QGZVFWFLSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001254529578 1106094076 /nfs/dbraw/zinc/09/40/76/1106094076.db2.gz OAOJCIWSUFJGDO-AWEZNQCLSA-N 2 1 323.868 3.063 20 0 DGADMP CC[N@@H+](C1CCN(C)CC1)C1CCN(c2ccc(F)cc2)CC1 ZINC001254628218 1106116027 /nfs/dbraw/zinc/11/60/27/1106116027.db2.gz PSHUSWHWDRLORJ-UHFFFAOYSA-N 2 1 319.468 3.211 20 0 DGADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CC3CCN(CC3)C2)CC1 ZINC001254843855 1106147778 /nfs/dbraw/zinc/14/77/78/1106147778.db2.gz HPTBWJJMVHWZRV-FQEVSTJZSA-N 2 1 319.537 3.105 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC3CCN(CC3)C2)CC1 ZINC001254846647 1106147818 /nfs/dbraw/zinc/14/78/18/1106147818.db2.gz YBSCGCJNGGKXGF-IHPCNDPISA-N 2 1 319.537 3.375 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254865077 1106150730 /nfs/dbraw/zinc/15/07/30/1106150730.db2.gz WQMUNDLSGVDYOQ-QFBILLFUSA-N 2 1 324.472 3.391 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[NH+](C4Cc5ccccc5C4)C[C@@H]3C2)c1 ZINC001255020961 1106167721 /nfs/dbraw/zinc/16/77/21/1106167721.db2.gz GVTYCIKWQAXVLB-ROUUACIJSA-N 2 1 324.493 3.279 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255127390 1106185016 /nfs/dbraw/zinc/18/50/16/1106185016.db2.gz UXHPHQBPUYUHSZ-HAGHYFMRSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255124744 1106185522 /nfs/dbraw/zinc/18/55/22/1106185522.db2.gz NMXOFSRGYQCQRB-ACDBMABISA-N 2 1 324.472 3.014 20 0 DGADMP Cc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124744 1106185523 /nfs/dbraw/zinc/18/55/23/1106185523.db2.gz NMXOFSRGYQCQRB-ACDBMABISA-N 2 1 324.472 3.014 20 0 DGADMP C[C@@H]1COCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137396 1106187843 /nfs/dbraw/zinc/18/78/43/1106187843.db2.gz QNXVUOYFQYXQBK-FFGOWVMKSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137396 1106187849 /nfs/dbraw/zinc/18/78/49/1106187849.db2.gz QNXVUOYFQYXQBK-FFGOWVMKSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137396 1106187852 /nfs/dbraw/zinc/18/78/52/1106187852.db2.gz QNXVUOYFQYXQBK-FFGOWVMKSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145784 1106190267 /nfs/dbraw/zinc/19/02/67/1106190267.db2.gz UVLWCFASLYZZAU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255145784 1106190271 /nfs/dbraw/zinc/19/02/71/1106190271.db2.gz UVLWCFASLYZZAU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255145784 1106190275 /nfs/dbraw/zinc/19/02/75/1106190275.db2.gz UVLWCFASLYZZAU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255145784 1106190279 /nfs/dbraw/zinc/19/02/79/1106190279.db2.gz UVLWCFASLYZZAU-XIKSMUEASA-N 2 1 314.473 3.027 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148924 1106190714 /nfs/dbraw/zinc/19/07/14/1106190714.db2.gz DISKZXAZFKEMJY-FUMNGEBKSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148924 1106190719 /nfs/dbraw/zinc/19/07/19/1106190719.db2.gz DISKZXAZFKEMJY-FUMNGEBKSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148924 1106190722 /nfs/dbraw/zinc/19/07/22/1106190722.db2.gz DISKZXAZFKEMJY-FUMNGEBKSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148924 1106190724 /nfs/dbraw/zinc/19/07/24/1106190724.db2.gz DISKZXAZFKEMJY-FUMNGEBKSA-N 2 1 312.457 3.047 20 0 DGADMP C[N@@H+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150555 1106191186 /nfs/dbraw/zinc/19/11/86/1106191186.db2.gz WGSXBHRVLLLBFT-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150555 1106191189 /nfs/dbraw/zinc/19/11/89/1106191189.db2.gz WGSXBHRVLLLBFT-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150555 1106191198 /nfs/dbraw/zinc/19/11/98/1106191198.db2.gz WGSXBHRVLLLBFT-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCSC1 ZINC001255279911 1106215078 /nfs/dbraw/zinc/21/50/78/1106215078.db2.gz QVFDZGYNNXGGDO-NJAFHUGGSA-N 2 1 304.503 3.240 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCSC4)CC[C@H]3C2)cc1 ZINC001255295756 1106217738 /nfs/dbraw/zinc/21/77/38/1106217738.db2.gz PVGSVJCKTMENAM-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCSC4)CC[C@H]3C2)cc1 ZINC001255295756 1106217743 /nfs/dbraw/zinc/21/77/43/1106217743.db2.gz PVGSVJCKTMENAM-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCSC4)CC[C@H]3C2)cc1 ZINC001255295756 1106217745 /nfs/dbraw/zinc/21/77/45/1106217745.db2.gz PVGSVJCKTMENAM-OTWHNJEPSA-N 2 1 316.514 3.336 20 0 DGADMP CCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001255311475 1106220840 /nfs/dbraw/zinc/22/08/40/1106220840.db2.gz CDRHCQVAXGSOIT-KRWDZBQOSA-N 2 1 303.494 3.102 20 0 DGADMP CCCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001255324575 1106222310 /nfs/dbraw/zinc/22/23/10/1106222310.db2.gz GFBHGVAORJKTRL-YTQUADARSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001255324575 1106222313 /nfs/dbraw/zinc/22/23/13/1106222313.db2.gz GFBHGVAORJKTRL-YTQUADARSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001255324575 1106222316 /nfs/dbraw/zinc/22/23/16/1106222316.db2.gz GFBHGVAORJKTRL-YTQUADARSA-N 2 1 308.510 3.245 20 0 DGADMP CCCC[C@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001255326896 1106223476 /nfs/dbraw/zinc/22/34/76/1106223476.db2.gz USZQMCSSVUARAF-KRWDZBQOSA-N 2 1 318.509 3.306 20 0 DGADMP CCCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001255328137 1106224085 /nfs/dbraw/zinc/22/40/85/1106224085.db2.gz GTNSBCXCPHTFDD-NZSAHSFTSA-N 2 1 308.510 3.388 20 0 DGADMP CCCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001255328137 1106224088 /nfs/dbraw/zinc/22/40/88/1106224088.db2.gz GTNSBCXCPHTFDD-NZSAHSFTSA-N 2 1 308.510 3.388 20 0 DGADMP CCCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001255328137 1106224091 /nfs/dbraw/zinc/22/40/91/1106224091.db2.gz GTNSBCXCPHTFDD-NZSAHSFTSA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348963 1106229550 /nfs/dbraw/zinc/22/95/50/1106229550.db2.gz GDBTZKYEQOVAQZ-XLAORIBOSA-N 2 1 324.509 3.336 20 0 DGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255385314 1106238091 /nfs/dbraw/zinc/23/80/91/1106238091.db2.gz GJYFOBXTWBKOJY-GPJFCIFZSA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255385314 1106238093 /nfs/dbraw/zinc/23/80/93/1106238093.db2.gz GJYFOBXTWBKOJY-GPJFCIFZSA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255385314 1106238095 /nfs/dbraw/zinc/23/80/95/1106238095.db2.gz GJYFOBXTWBKOJY-GPJFCIFZSA-N 2 1 315.505 3.243 20 0 DGADMP C[N@H+](C1CCC([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255385314 1106238096 /nfs/dbraw/zinc/23/80/96/1106238096.db2.gz GJYFOBXTWBKOJY-GPJFCIFZSA-N 2 1 315.505 3.243 20 0 DGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255385314 1106238098 /nfs/dbraw/zinc/23/80/98/1106238098.db2.gz GJYFOBXTWBKOJY-GPJFCIFZSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255386304 1106238317 /nfs/dbraw/zinc/23/83/17/1106238317.db2.gz LWJDRLSBNBLUJX-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386304 1106238322 /nfs/dbraw/zinc/23/83/22/1106238322.db2.gz LWJDRLSBNBLUJX-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255386304 1106238327 /nfs/dbraw/zinc/23/83/27/1106238327.db2.gz LWJDRLSBNBLUJX-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)N1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386304 1106238331 /nfs/dbraw/zinc/23/83/31/1106238331.db2.gz LWJDRLSBNBLUJX-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389658 1106239702 /nfs/dbraw/zinc/23/97/02/1106239702.db2.gz PCDMIQBMYJXVIP-OALUTQOASA-N 2 1 304.478 3.038 20 0 DGADMP O[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255389681 1106239856 /nfs/dbraw/zinc/23/98/56/1106239856.db2.gz PZWTYKILLDLTRD-VAMGGRTRSA-N 2 1 316.489 3.182 20 0 DGADMP OC[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255387513 1106239934 /nfs/dbraw/zinc/23/99/34/1106239934.db2.gz SCLNCDWVPVPBIK-UFYCRDLUSA-N 2 1 316.489 3.182 20 0 DGADMP OCc1ccccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393859 1106240924 /nfs/dbraw/zinc/24/09/24/1106240924.db2.gz RZEQSWWPCVOBJT-NRFANRHFSA-N 2 1 324.468 3.323 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001255397284 1106241500 /nfs/dbraw/zinc/24/15/00/1106241500.db2.gz DUICDSOBZONXQA-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001255397284 1106241504 /nfs/dbraw/zinc/24/15/04/1106241504.db2.gz DUICDSOBZONXQA-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001255397284 1106241507 /nfs/dbraw/zinc/24/15/07/1106241507.db2.gz DUICDSOBZONXQA-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001255399478 1106242951 /nfs/dbraw/zinc/24/29/51/1106242951.db2.gz SNZVHXVWJYQACN-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001255399478 1106242954 /nfs/dbraw/zinc/24/29/54/1106242954.db2.gz SNZVHXVWJYQACN-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001255399478 1106242959 /nfs/dbraw/zinc/24/29/59/1106242959.db2.gz SNZVHXVWJYQACN-UXHICEINSA-N 2 1 314.473 3.296 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399220 1106243792 /nfs/dbraw/zinc/24/37/92/1106243792.db2.gz PDHRIHWBOAUFSB-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399220 1106243795 /nfs/dbraw/zinc/24/37/95/1106243795.db2.gz PDHRIHWBOAUFSB-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399220 1106243796 /nfs/dbraw/zinc/24/37/96/1106243796.db2.gz PDHRIHWBOAUFSB-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC4(COC4)C3)CC2)cc1 ZINC001255400257 1106244225 /nfs/dbraw/zinc/24/42/25/1106244225.db2.gz HGLZAYUYHBQSPK-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCCC4(COC4)C3)CC2)cc1 ZINC001255400257 1106244227 /nfs/dbraw/zinc/24/42/27/1106244227.db2.gz HGLZAYUYHBQSPK-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCCC4(COC4)C3)CC2)cc1 ZINC001255400257 1106244231 /nfs/dbraw/zinc/24/42/31/1106244231.db2.gz HGLZAYUYHBQSPK-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP C[N@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001255444235 1106250851 /nfs/dbraw/zinc/25/08/51/1106250851.db2.gz JZKLZKFVHKBKHK-HNNXBMFYSA-N 2 1 301.409 3.124 20 0 DGADMP COC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001255582934 1106273759 /nfs/dbraw/zinc/27/37/59/1106273759.db2.gz FDLXHOUBVYUOSO-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001255582934 1106273762 /nfs/dbraw/zinc/27/37/62/1106273762.db2.gz FDLXHOUBVYUOSO-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255582934 1106273766 /nfs/dbraw/zinc/27/37/66/1106273766.db2.gz FDLXHOUBVYUOSO-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H](CC(F)(F)F)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001255643364 1106282801 /nfs/dbraw/zinc/28/28/01/1106282801.db2.gz DOBKHXSNNUHBOA-CYBMUJFWSA-N 2 1 300.368 3.363 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255643703 1106283172 /nfs/dbraw/zinc/28/31/72/1106283172.db2.gz IKVHQSWDTJOMPD-AVGNSLFASA-N 2 1 308.388 3.078 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC001255651077 1106285711 /nfs/dbraw/zinc/28/57/11/1106285711.db2.gz KDIUKXSCPXCZEN-NSHDSACASA-N 2 1 301.356 3.270 20 0 DGADMP COc1cccc(OCCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255666122 1106290464 /nfs/dbraw/zinc/29/04/64/1106290464.db2.gz UCZMKQWPSDLQAC-ALOPSCKCSA-N 2 1 318.461 3.069 20 0 DGADMP COc1ncccc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255671868 1106290928 /nfs/dbraw/zinc/29/09/28/1106290928.db2.gz WNNOYLOWMQEBHH-MMNRESRNSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccc(CC2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001255672494 1106292126 /nfs/dbraw/zinc/29/21/26/1106292126.db2.gz HMTGKUFJUATFBU-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP COc1cccc(CC2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001255672494 1106292127 /nfs/dbraw/zinc/29/21/27/1106292127.db2.gz HMTGKUFJUATFBU-AYHJJNSGSA-N 2 1 314.473 3.375 20 0 DGADMP COc1cccc([C@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255675173 1106292903 /nfs/dbraw/zinc/29/29/03/1106292903.db2.gz CTQMXRIAKRXPAD-CCNLRDMRSA-N 2 1 302.462 3.404 20 0 DGADMP COc1cccc([C@@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255675175 1106292958 /nfs/dbraw/zinc/29/29/58/1106292958.db2.gz CTQMXRIAKRXPAD-MIGBEJBISA-N 2 1 302.462 3.404 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001255766491 1106311865 /nfs/dbraw/zinc/31/18/65/1106311865.db2.gz AXVTXXPQXJPUFB-JFIYKMOQSA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001255766491 1106311871 /nfs/dbraw/zinc/31/18/71/1106311871.db2.gz AXVTXXPQXJPUFB-JFIYKMOQSA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)cc1 ZINC001255782625 1106315723 /nfs/dbraw/zinc/31/57/23/1106315723.db2.gz XYLQUTFGNCOSHM-YLJYHZDGSA-N 2 1 316.489 3.017 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)cc1 ZINC001255782625 1106315726 /nfs/dbraw/zinc/31/57/26/1106315726.db2.gz XYLQUTFGNCOSHM-YLJYHZDGSA-N 2 1 316.489 3.017 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC001255941232 1106345373 /nfs/dbraw/zinc/34/53/73/1106345373.db2.gz LVAUMRQAQSXURK-CABCVRRESA-N 2 1 306.450 3.229 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccnc1C(F)(F)F ZINC001255947469 1106346513 /nfs/dbraw/zinc/34/65/13/1106346513.db2.gz RCWSQJIBRQROOU-LBPRGKRZSA-N 2 1 303.372 3.310 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001255960070 1106349985 /nfs/dbraw/zinc/34/99/85/1106349985.db2.gz DYZLFPGMLGJHIA-KRWDZBQOSA-N 2 1 321.484 3.064 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2OC)C1 ZINC001255961806 1106350752 /nfs/dbraw/zinc/35/07/52/1106350752.db2.gz QPZPSWNUICYTGA-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccccc2OC)C1 ZINC001255961806 1106350754 /nfs/dbraw/zinc/35/07/54/1106350754.db2.gz QPZPSWNUICYTGA-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256070698 1106363988 /nfs/dbraw/zinc/36/39/88/1106363988.db2.gz CELHVIIGLMKBEP-INIZCTEOSA-N 2 1 324.509 3.349 20 0 DGADMP C[C@@]12CC3([NH3+])CC(NC4CC[NH+](C5CC5)CC4)(C1)C[C@](C)(C3)C2 ZINC001256070943 1106364275 /nfs/dbraw/zinc/36/42/75/1106364275.db2.gz HWCMCLHUJHQMOY-VCWRXUFXSA-N 2 1 317.521 3.033 20 0 DGADMP C[C@@]12CC3([NH3+])CC([NH2+]C4CC[NH+](C5CC5)CC4)(C1)C[C@](C)(C3)C2 ZINC001256070943 1106364278 /nfs/dbraw/zinc/36/42/78/1106364278.db2.gz HWCMCLHUJHQMOY-VCWRXUFXSA-N 3 1 317.521 3.033 20 0 DGADMP CC(C)(C)OC(=O)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC001256073992 1106365300 /nfs/dbraw/zinc/36/53/00/1106365300.db2.gz HLZFCFHPUSECSY-UHFFFAOYSA-N 2 1 322.493 3.105 20 0 DGADMP c1cc(SC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)ccn1 ZINC001256080058 1106366001 /nfs/dbraw/zinc/36/60/01/1106366001.db2.gz QYNWXIGHYUEVSB-UHFFFAOYSA-N 2 1 317.502 3.265 20 0 DGADMP c1cc(S[C@@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)ccn1 ZINC001256078370 1106366562 /nfs/dbraw/zinc/36/65/62/1106366562.db2.gz WIGJJWTTYGZJLK-GOSISDBHSA-N 2 1 317.502 3.265 20 0 DGADMP c1cc(S[C@@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)ccn1 ZINC001256078370 1106366568 /nfs/dbraw/zinc/36/65/68/1106366568.db2.gz WIGJJWTTYGZJLK-GOSISDBHSA-N 2 1 317.502 3.265 20 0 DGADMP COc1cccc(C[C@H](C)[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001256169461 1106383497 /nfs/dbraw/zinc/38/34/97/1106383497.db2.gz KDDQWAOBNXEFQY-HNNXBMFYSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(C[C@H](C)[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001256169461 1106383501 /nfs/dbraw/zinc/38/35/01/1106383501.db2.gz KDDQWAOBNXEFQY-HNNXBMFYSA-N 2 1 302.462 3.185 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](c2cccnc2C(F)(F)F)C2CC2)CC1 ZINC001256201724 1106389580 /nfs/dbraw/zinc/38/95/80/1106389580.db2.gz LNLHLCHXPYCXQX-AWEZNQCLSA-N 2 1 313.367 3.235 20 0 DGADMP COc1cccc(CC2(C[NH2+]C3CC[NH+](C)CC3)CCC2)c1 ZINC001256201866 1106390074 /nfs/dbraw/zinc/39/00/74/1106390074.db2.gz RHWFEGBTAMZAOZ-UHFFFAOYSA-N 2 1 302.462 3.092 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001256210827 1106390956 /nfs/dbraw/zinc/39/09/56/1106390956.db2.gz LUKBABQNEUGBTP-QGZVFWFLSA-N 2 1 302.462 3.044 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001256210827 1106390959 /nfs/dbraw/zinc/39/09/59/1106390959.db2.gz LUKBABQNEUGBTP-QGZVFWFLSA-N 2 1 302.462 3.044 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(c3noc4ccc(F)cc43)CC2)CC1 ZINC001256207634 1106391091 /nfs/dbraw/zinc/39/10/91/1106391091.db2.gz PQDZJQXHFXBTKF-UHFFFAOYSA-N 2 1 317.408 3.241 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001256352808 1106408460 /nfs/dbraw/zinc/40/84/60/1106408460.db2.gz LKGSSYKOVLQBGI-KRWDZBQOSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001256357281 1106408505 /nfs/dbraw/zinc/40/85/05/1106408505.db2.gz DHXGEANLIOFFDX-RLLQIKCJSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001256357281 1106408508 /nfs/dbraw/zinc/40/85/08/1106408508.db2.gz DHXGEANLIOFFDX-RLLQIKCJSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)CC[C@@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001256363894 1106410083 /nfs/dbraw/zinc/41/00/83/1106410083.db2.gz NRACMWHFUAHABQ-OAHLLOKOSA-N 2 1 306.498 3.366 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001256407381 1106416774 /nfs/dbraw/zinc/41/67/74/1106416774.db2.gz XKMGUCGHJGWHSH-HNNXBMFYSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001256422464 1106419131 /nfs/dbraw/zinc/41/91/31/1106419131.db2.gz RPNIITLUTXFHLN-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256422464 1106419133 /nfs/dbraw/zinc/41/91/33/1106419133.db2.gz RPNIITLUTXFHLN-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H]1C[C@@H](NC(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256532002 1106435481 /nfs/dbraw/zinc/43/54/81/1106435481.db2.gz WMMCNOXUCCXKJY-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC001256532002 1106435484 /nfs/dbraw/zinc/43/54/84/1106435484.db2.gz WMMCNOXUCCXKJY-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001256536615 1106436214 /nfs/dbraw/zinc/43/62/14/1106436214.db2.gz KUVYSIQGHMVOPO-YTQUADARSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001256536615 1106436215 /nfs/dbraw/zinc/43/62/15/1106436215.db2.gz KUVYSIQGHMVOPO-YTQUADARSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@@H]1C[C@H](N[C@@]2(C)CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536605 1106436270 /nfs/dbraw/zinc/43/62/70/1106436270.db2.gz KTYPUTRRBHUYCN-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@@]2(C)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536605 1106436271 /nfs/dbraw/zinc/43/62/71/1106436271.db2.gz KTYPUTRRBHUYCN-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@@]2(C)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536605 1106436273 /nfs/dbraw/zinc/43/62/73/1106436273.db2.gz KTYPUTRRBHUYCN-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@@]2(C)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256536605 1106436274 /nfs/dbraw/zinc/43/62/74/1106436274.db2.gz KTYPUTRRBHUYCN-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP COC[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536834 1106437183 /nfs/dbraw/zinc/43/71/83/1106437183.db2.gz GJQJYZQLXFRUED-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536834 1106437185 /nfs/dbraw/zinc/43/71/85/1106437185.db2.gz GJQJYZQLXFRUED-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536834 1106437187 /nfs/dbraw/zinc/43/71/87/1106437187.db2.gz GJQJYZQLXFRUED-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536834 1106437188 /nfs/dbraw/zinc/43/71/88/1106437188.db2.gz GJQJYZQLXFRUED-QRQLOZEOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256545860 1106439805 /nfs/dbraw/zinc/43/98/05/1106439805.db2.gz VPHMUWPODTUORU-GNBUJSLZSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256545860 1106439807 /nfs/dbraw/zinc/43/98/07/1106439807.db2.gz VPHMUWPODTUORU-GNBUJSLZSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256545860 1106439809 /nfs/dbraw/zinc/43/98/09/1106439809.db2.gz VPHMUWPODTUORU-GNBUJSLZSA-N 2 1 315.505 3.064 20 0 DGADMP COC[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556706 1106443381 /nfs/dbraw/zinc/44/33/81/1106443381.db2.gz GJQJYZQLXFRUED-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556706 1106443385 /nfs/dbraw/zinc/44/33/85/1106443385.db2.gz GJQJYZQLXFRUED-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556706 1106443389 /nfs/dbraw/zinc/44/33/89/1106443389.db2.gz GJQJYZQLXFRUED-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556706 1106443391 /nfs/dbraw/zinc/44/33/91/1106443391.db2.gz GJQJYZQLXFRUED-YTQUADARSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256557886 1106444013 /nfs/dbraw/zinc/44/40/13/1106444013.db2.gz AGMIOYRCKVTHDQ-UHFFFAOYSA-N 3 1 303.494 3.101 20 0 DGADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C[NH2+]CC2 ZINC001256561659 1106444762 /nfs/dbraw/zinc/44/47/62/1106444762.db2.gz ZDPMVENIDRGYFP-CRAIPNDOSA-N 2 1 324.472 3.063 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001256573629 1106448725 /nfs/dbraw/zinc/44/87/25/1106448725.db2.gz LMJIDULKVYZHMB-SFHVURJKSA-N 2 1 301.478 3.351 20 0 DGADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001256600636 1106452020 /nfs/dbraw/zinc/45/20/20/1106452020.db2.gz ZHVWIOSJBMYZBX-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2O1 ZINC001256605597 1106453078 /nfs/dbraw/zinc/45/30/78/1106453078.db2.gz JLLKLEOOGGQUTM-XKGZKEIXSA-N 2 1 314.473 3.150 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001256621045 1106455264 /nfs/dbraw/zinc/45/52/64/1106455264.db2.gz JDTYNRIGBCSBOV-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001256621045 1106455268 /nfs/dbraw/zinc/45/52/68/1106455268.db2.gz JDTYNRIGBCSBOV-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001256631346 1106457909 /nfs/dbraw/zinc/45/79/09/1106457909.db2.gz VIACZHMFYWIGDJ-XNHLSEOASA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001256631346 1106457912 /nfs/dbraw/zinc/45/79/12/1106457912.db2.gz VIACZHMFYWIGDJ-XNHLSEOASA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001256631346 1106457917 /nfs/dbraw/zinc/45/79/17/1106457917.db2.gz VIACZHMFYWIGDJ-XNHLSEOASA-N 2 1 300.446 3.110 20 0 DGADMP COc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001256642579 1106461026 /nfs/dbraw/zinc/46/10/26/1106461026.db2.gz KBAAVBPPBSZIQR-SFHVURJKSA-N 2 1 314.473 3.113 20 0 DGADMP C1CC[C@H]2[C@@H](C1)CCC[N@H+]2C1CCC([NH+]2CCOCC2)CC1 ZINC001256697689 1106470551 /nfs/dbraw/zinc/47/05/51/1106470551.db2.gz HDWMBNCIMDTSIQ-RGVPCPSESA-N 2 1 306.494 3.284 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001256743256 1106477859 /nfs/dbraw/zinc/47/78/59/1106477859.db2.gz SAQQVNZCSJRVJB-IEBWSBKVSA-N 2 1 301.478 3.353 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256816238 1106488962 /nfs/dbraw/zinc/48/89/62/1106488962.db2.gz HQLZCDMPALSSHD-MOPGFXCFSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256819427 1106490168 /nfs/dbraw/zinc/49/01/68/1106490168.db2.gz CAXNLYTYHRKDOI-PMACEKPBSA-N 2 1 314.473 3.465 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC001256826146 1106491604 /nfs/dbraw/zinc/49/16/04/1106491604.db2.gz RXJGMSNJOZMRIH-RTBURBONSA-N 2 1 314.473 3.324 20 0 DGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256828893 1106492471 /nfs/dbraw/zinc/49/24/71/1106492471.db2.gz IYQMNBSSFZSRHG-RTBURBONSA-N 2 1 302.462 3.323 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001256860681 1106498930 /nfs/dbraw/zinc/49/89/30/1106498930.db2.gz HLESHYBBZRFUGQ-HXUWFJFHSA-N 2 1 323.440 3.204 20 0 DGADMP C[N@@H+](CCc1ccccc1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865133 1106499516 /nfs/dbraw/zinc/49/95/16/1106499516.db2.gz QRZLPRLUCIXRAJ-UHFFFAOYSA-N 2 1 313.420 3.364 20 0 DGADMP O[C@H](CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899397 1106504796 /nfs/dbraw/zinc/50/47/96/1106504796.db2.gz GGXILUPTULJYAE-IEBWSBKVSA-N 2 1 302.462 3.107 20 0 DGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901879 1106505794 /nfs/dbraw/zinc/50/57/94/1106505794.db2.gz LJXOHEBXVWHWBF-ZWKOTPCHSA-N 2 1 307.526 3.103 20 0 DGADMP C(CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)CC[NH+]1CCCC1 ZINC001256901873 1106505893 /nfs/dbraw/zinc/50/58/93/1106505893.db2.gz LIOZARQLRLIHKN-SFHVURJKSA-N 3 1 307.526 3.249 20 0 DGADMP C(CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)CC[NH+]1CCCC1 ZINC001256901873 1106505895 /nfs/dbraw/zinc/50/58/95/1106505895.db2.gz LIOZARQLRLIHKN-SFHVURJKSA-N 3 1 307.526 3.249 20 0 DGADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901935 1106506229 /nfs/dbraw/zinc/50/62/29/1106506229.db2.gz MKTJOKJPYGGMEW-OAHLLOKOSA-N 2 1 310.482 3.105 20 0 DGADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901935 1106506232 /nfs/dbraw/zinc/50/62/32/1106506232.db2.gz MKTJOKJPYGGMEW-OAHLLOKOSA-N 2 1 310.482 3.105 20 0 DGADMP CC(C)(Cc1ccncc1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904532 1106506793 /nfs/dbraw/zinc/50/67/93/1106506793.db2.gz INEAPVZCOQXRFT-KRWDZBQOSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)(Cc1ccncc1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904532 1106506795 /nfs/dbraw/zinc/50/67/95/1106506795.db2.gz INEAPVZCOQXRFT-KRWDZBQOSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(C2CCCC2)C1 ZINC001256905381 1106507910 /nfs/dbraw/zinc/50/79/10/1106507910.db2.gz PJURNFLMIYEDDE-WDSOQIARSA-N 2 1 307.526 3.374 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908788 1106508902 /nfs/dbraw/zinc/50/89/02/1106508902.db2.gz QIMGBPGPSGSVQX-IRXDYDNUSA-N 3 1 309.542 3.384 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908788 1106508907 /nfs/dbraw/zinc/50/89/07/1106508907.db2.gz QIMGBPGPSGSVQX-IRXDYDNUSA-N 3 1 309.542 3.384 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907791 1106509593 /nfs/dbraw/zinc/50/95/93/1106509593.db2.gz ILWVRSSGEZWYQB-WBVHZDCISA-N 2 1 302.462 3.320 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907791 1106509596 /nfs/dbraw/zinc/50/95/96/1106509596.db2.gz ILWVRSSGEZWYQB-WBVHZDCISA-N 2 1 302.462 3.320 20 0 DGADMP CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256911861 1106510292 /nfs/dbraw/zinc/51/02/92/1106510292.db2.gz WFFGXXKRQQMYGX-OAHLLOKOSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256911861 1106510295 /nfs/dbraw/zinc/51/02/95/1106510295.db2.gz WFFGXXKRQQMYGX-OAHLLOKOSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001257065594 1106533531 /nfs/dbraw/zinc/53/35/31/1106533531.db2.gz QARONXDPUZBPKY-VSZNYVQBSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001257065594 1106533535 /nfs/dbraw/zinc/53/35/35/1106533535.db2.gz QARONXDPUZBPKY-VSZNYVQBSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001257065594 1106533541 /nfs/dbraw/zinc/53/35/41/1106533541.db2.gz QARONXDPUZBPKY-VSZNYVQBSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)C1(C(C)C)CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257224338 1106554212 /nfs/dbraw/zinc/55/42/12/1106554212.db2.gz YGECABVXALGLAC-UHFFFAOYSA-N 2 1 324.509 3.161 20 0 DGADMP Cc1cccnc1OC1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257223175 1106554355 /nfs/dbraw/zinc/55/43/55/1106554355.db2.gz LVZDZVQIBJRRAK-UHFFFAOYSA-N 2 1 317.477 3.106 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC001257223984 1106554432 /nfs/dbraw/zinc/55/44/32/1106554432.db2.gz LHDYYQCMVSUTGW-UHFFFAOYSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC001257223984 1106554434 /nfs/dbraw/zinc/55/44/34/1106554434.db2.gz LHDYYQCMVSUTGW-UHFFFAOYSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](CC)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001257252095 1106555798 /nfs/dbraw/zinc/55/57/98/1106555798.db2.gz YCRYHGBEZVOJOW-UFYCRDLUSA-N 2 1 321.553 3.494 20 0 DGADMP CCCC[C@@H](CC)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001257409959 1106584091 /nfs/dbraw/zinc/58/40/91/1106584091.db2.gz JWRFJVYTSMNSQN-HXUWFJFHSA-N 2 1 317.521 3.492 20 0 DGADMP CCCC[C@@H](CC)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001257426937 1106587374 /nfs/dbraw/zinc/58/73/74/1106587374.db2.gz VWRZOYOULOLVKP-IAGOWNOFSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446215 1106591209 /nfs/dbraw/zinc/59/12/09/1106591209.db2.gz YYIODBWZYBFODW-WBVHZDCISA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@@H](C)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446215 1106591210 /nfs/dbraw/zinc/59/12/10/1106591210.db2.gz YYIODBWZYBFODW-WBVHZDCISA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001257446215 1106591215 /nfs/dbraw/zinc/59/12/15/1106591215.db2.gz YYIODBWZYBFODW-WBVHZDCISA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001257446215 1106591220 /nfs/dbraw/zinc/59/12/20/1106591220.db2.gz YYIODBWZYBFODW-WBVHZDCISA-N 2 1 323.431 3.413 20 0 DGADMP CCCCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001257519786 1106601996 /nfs/dbraw/zinc/60/19/96/1106601996.db2.gz MXWMMGUYTKEVMV-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001257561767 1106605960 /nfs/dbraw/zinc/60/59/60/1106605960.db2.gz TVVZRGSVPZLECN-GFCCVEGCSA-N 2 1 322.250 3.341 20 0 DGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC(OCc3ccccc3)CC2)C1 ZINC001257821434 1106631538 /nfs/dbraw/zinc/63/15/38/1106631538.db2.gz IWIRSHIFPBWHGD-LMDPOFIKSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCC2(COC2)CC1 ZINC001257911221 1106646179 /nfs/dbraw/zinc/64/61/79/1106646179.db2.gz VTMUESQOUDDUMP-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC2(COC2)CC1 ZINC001257911221 1106646181 /nfs/dbraw/zinc/64/61/81/1106646181.db2.gz VTMUESQOUDDUMP-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257911221 1106646184 /nfs/dbraw/zinc/64/61/84/1106646184.db2.gz VTMUESQOUDDUMP-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cncc(C(F)(F)F)c2)CC1 ZINC001258004553 1106656686 /nfs/dbraw/zinc/65/66/86/1106656686.db2.gz FWBZYIXMFHFGIY-UHFFFAOYSA-N 2 1 315.383 3.310 20 0 DGADMP CC(C)C[NH+]1CCC(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC001258014989 1106658272 /nfs/dbraw/zinc/65/82/72/1106658272.db2.gz VYTQOMHNOAJZLC-HXUWFJFHSA-N 2 1 315.505 3.096 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001258015186 1106658275 /nfs/dbraw/zinc/65/82/75/1106658275.db2.gz ZBUYCSULOKWAPE-UHFFFAOYSA-N 3 1 309.542 3.159 20 0 DGADMP CC(C)CN1CCC([N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001258015186 1106658276 /nfs/dbraw/zinc/65/82/76/1106658276.db2.gz ZBUYCSULOKWAPE-UHFFFAOYSA-N 2 1 309.542 3.159 20 0 DGADMP CC(C)CN1CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001258015186 1106658277 /nfs/dbraw/zinc/65/82/77/1106658277.db2.gz ZBUYCSULOKWAPE-UHFFFAOYSA-N 2 1 309.542 3.159 20 0 DGADMP CC(C)C[NH+]1CCC(N(C)CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001258018988 1106659473 /nfs/dbraw/zinc/65/94/73/1106659473.db2.gz YHEAVZMYOLJEGE-UHFFFAOYSA-N 2 1 317.521 3.171 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001258029881 1106661586 /nfs/dbraw/zinc/66/15/86/1106661586.db2.gz NBXRUKHLMCRGNG-BFWZDYSYSA-N 2 1 324.509 3.207 20 0 DGADMP CC(C)=CCC[C@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258097129 1106672427 /nfs/dbraw/zinc/67/24/27/1106672427.db2.gz ZUIOHCNVYQUAGR-SFHVURJKSA-N 2 1 307.526 3.081 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001258124830 1106676832 /nfs/dbraw/zinc/67/68/32/1106676832.db2.gz AWQQHESRKGOVSP-INIZCTEOSA-N 2 1 312.498 3.161 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189489 1106692153 /nfs/dbraw/zinc/69/21/53/1106692153.db2.gz RYMNOKXVPJEWNP-MJGOQNOKSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189489 1106692155 /nfs/dbraw/zinc/69/21/55/1106692155.db2.gz RYMNOKXVPJEWNP-MJGOQNOKSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189489 1106692157 /nfs/dbraw/zinc/69/21/57/1106692157.db2.gz RYMNOKXVPJEWNP-MJGOQNOKSA-N 2 1 320.477 3.033 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)Cc3ccco3)C2)C1 ZINC001258189489 1106692160 /nfs/dbraw/zinc/69/21/60/1106692160.db2.gz RYMNOKXVPJEWNP-MJGOQNOKSA-N 2 1 320.477 3.033 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001258391226 1106728030 /nfs/dbraw/zinc/72/80/30/1106728030.db2.gz YIAZYSBETCIIKH-MNEFBYGVSA-N 2 1 304.478 3.479 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H](C)CCC(=O)OCC ZINC001258479023 1106770207 /nfs/dbraw/zinc/77/02/07/1106770207.db2.gz ZOKJPCGDHJBZRI-MRXNPFEDSA-N 2 1 300.487 3.210 20 0 DGADMP CCC[NH+](CCC)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258500686 1106782032 /nfs/dbraw/zinc/78/20/32/1106782032.db2.gz BVPDFPLXFHFSDA-UHFFFAOYSA-N 2 1 303.494 3.367 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258499987 1106782851 /nfs/dbraw/zinc/78/28/51/1106782851.db2.gz VTABPFGIKQYNNB-IXDOHACOSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258499987 1106782864 /nfs/dbraw/zinc/78/28/64/1106782864.db2.gz VTABPFGIKQYNNB-IXDOHACOSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258499987 1106782877 /nfs/dbraw/zinc/78/28/77/1106782877.db2.gz VTABPFGIKQYNNB-IXDOHACOSA-N 2 1 310.482 3.057 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(c2ccccc2)CC1 ZINC001258516336 1106792218 /nfs/dbraw/zinc/79/22/18/1106792218.db2.gz BCWCMVSYUGMTBC-UHFFFAOYSA-N 2 1 303.494 3.319 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001316943313 1106797522 /nfs/dbraw/zinc/79/75/22/1106797522.db2.gz IQQCVNZTWDAGAK-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001316943313 1106797537 /nfs/dbraw/zinc/79/75/37/1106797537.db2.gz IQQCVNZTWDAGAK-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001316943313 1106797551 /nfs/dbraw/zinc/79/75/51/1106797551.db2.gz IQQCVNZTWDAGAK-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC1CCC([N@@H+](CCC[NH+](C)C)CCC(=O)OC)CC1 ZINC001258532599 1106803597 /nfs/dbraw/zinc/80/35/97/1106803597.db2.gz GBBJKEGMGJRUPT-UHFFFAOYSA-N 2 1 312.498 3.162 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258536076 1106805994 /nfs/dbraw/zinc/80/59/94/1106805994.db2.gz SPSCYAMWBMDPLR-HNNXBMFYSA-N 2 1 321.896 3.383 20 0 DGADMP Cc1cc(N([C@H]2CCC(C)(C)C2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001258608605 1106849491 /nfs/dbraw/zinc/84/94/91/1106849491.db2.gz MAGDZYUIGBZRTD-INIZCTEOSA-N 2 1 302.466 3.231 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258619739 1106858319 /nfs/dbraw/zinc/85/83/19/1106858319.db2.gz WOQJNFYTZYYBQN-HNNXBMFYSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001258629696 1106867984 /nfs/dbraw/zinc/86/79/84/1106867984.db2.gz GGYXOCWEWXEJIP-GHTZIAJQSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001258629696 1106867995 /nfs/dbraw/zinc/86/79/95/1106867995.db2.gz GGYXOCWEWXEJIP-GHTZIAJQSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258629696 1106868011 /nfs/dbraw/zinc/86/80/11/1106868011.db2.gz GGYXOCWEWXEJIP-GHTZIAJQSA-N 2 1 323.484 3.467 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258658769 1106886137 /nfs/dbraw/zinc/88/61/37/1106886137.db2.gz LBVCRFXCYZDWQN-SLFFLAALSA-N 2 1 316.489 3.050 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258658769 1106886147 /nfs/dbraw/zinc/88/61/47/1106886147.db2.gz LBVCRFXCYZDWQN-SLFFLAALSA-N 2 1 316.489 3.050 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001258658769 1106886157 /nfs/dbraw/zinc/88/61/57/1106886157.db2.gz LBVCRFXCYZDWQN-SLFFLAALSA-N 2 1 316.489 3.050 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001258658769 1106886167 /nfs/dbraw/zinc/88/61/67/1106886167.db2.gz LBVCRFXCYZDWQN-SLFFLAALSA-N 2 1 316.489 3.050 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258673286 1106895065 /nfs/dbraw/zinc/89/50/65/1106895065.db2.gz PYZHXLDDHLIDCS-NWDGAFQWSA-N 2 1 301.261 3.466 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)n2C)CC1 ZINC001258767924 1106964600 /nfs/dbraw/zinc/96/46/00/1106964600.db2.gz PZODERXKGWLZDL-UHFFFAOYSA-N 2 1 303.372 3.008 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001258775867 1106966413 /nfs/dbraw/zinc/96/64/13/1106966413.db2.gz HYGUQXWRAMSVBJ-INIZCTEOSA-N 2 1 310.482 3.057 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001258775867 1106966423 /nfs/dbraw/zinc/96/64/23/1106966423.db2.gz HYGUQXWRAMSVBJ-INIZCTEOSA-N 2 1 310.482 3.057 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001258777874 1106971627 /nfs/dbraw/zinc/97/16/27/1106971627.db2.gz LNIVHRFQYHSNMX-SFHVURJKSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001258777874 1106971635 /nfs/dbraw/zinc/97/16/35/1106971635.db2.gz LNIVHRFQYHSNMX-SFHVURJKSA-N 2 1 306.425 3.153 20 0 DGADMP CC[C@H](C[C@@H](C)CC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258795023 1106982920 /nfs/dbraw/zinc/98/29/20/1106982920.db2.gz NXJOUAHTPSLBHE-JKSUJKDBSA-N 2 1 300.487 3.018 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813673 1106996031 /nfs/dbraw/zinc/99/60/31/1106996031.db2.gz LJEQTWDYVVDBJO-NBYUQASBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001258813673 1106996034 /nfs/dbraw/zinc/99/60/34/1106996034.db2.gz LJEQTWDYVVDBJO-NBYUQASBSA-N 2 1 316.489 3.038 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258821146 1107001340 /nfs/dbraw/zinc/00/13/40/1107001340.db2.gz UDPLPDHDBXUJTJ-IJXRJRJASA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258821146 1107001348 /nfs/dbraw/zinc/00/13/48/1107001348.db2.gz UDPLPDHDBXUJTJ-IJXRJRJASA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258821146 1107001360 /nfs/dbraw/zinc/00/13/60/1107001360.db2.gz UDPLPDHDBXUJTJ-IJXRJRJASA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258842332 1107019764 /nfs/dbraw/zinc/01/97/64/1107019764.db2.gz HIQLMGKKASRQBI-LJQANCHMSA-N 2 1 309.457 3.353 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258886086 1107037688 /nfs/dbraw/zinc/03/76/88/1107037688.db2.gz BQBONTOSJDDZPT-SJORKVTESA-N 2 1 304.478 3.467 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccccc2OC)CC1 ZINC001258892979 1107039982 /nfs/dbraw/zinc/03/99/82/1107039982.db2.gz VPVNVTSJTVEKFY-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001258895545 1107044288 /nfs/dbraw/zinc/04/42/88/1107044288.db2.gz PHQKCSTZPRAYNX-OAHLLOKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258895545 1107044299 /nfs/dbraw/zinc/04/42/99/1107044299.db2.gz PHQKCSTZPRAYNX-OAHLLOKOSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001258899877 1107048761 /nfs/dbraw/zinc/04/87/61/1107048761.db2.gz VBMPKMVZJIKTMK-OAHLLOKOSA-N 2 1 315.461 3.466 20 0 DGADMP CCOC(=O)C1([NH2+][C@H](C)CCC[NH+](CC)CC)CCCCC1 ZINC001258903181 1107050030 /nfs/dbraw/zinc/05/00/30/1107050030.db2.gz MMIUSLOWFKTNIR-MRXNPFEDSA-N 2 1 312.498 3.353 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001258908275 1107054893 /nfs/dbraw/zinc/05/48/93/1107054893.db2.gz UHQYYWSEALUIFO-HOCLYGCPSA-N 2 1 308.470 3.068 20 0 DGADMP Cc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc2ccccc12 ZINC001321367059 1107333345 /nfs/dbraw/zinc/33/33/45/1107333345.db2.gz QBMPTMKUHNTKNP-INIZCTEOSA-N 2 1 313.445 3.312 20 0 DGADMP Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)nc2ccccc12 ZINC001321367059 1107333361 /nfs/dbraw/zinc/33/33/61/1107333361.db2.gz QBMPTMKUHNTKNP-INIZCTEOSA-N 2 1 313.445 3.312 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317430983 1107356336 /nfs/dbraw/zinc/35/63/36/1107356336.db2.gz DAVBNQUYDMMFLN-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC001261365503 1107418458 /nfs/dbraw/zinc/41/84/58/1107418458.db2.gz PTYYHVUUAWUSLW-KRWDZBQOSA-N 2 1 321.440 3.090 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC001261365503 1107418464 /nfs/dbraw/zinc/41/84/64/1107418464.db2.gz PTYYHVUUAWUSLW-KRWDZBQOSA-N 2 1 321.440 3.090 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001261903824 1107558842 /nfs/dbraw/zinc/55/88/42/1107558842.db2.gz LSQJSEOJLMVUEX-FQEVSTJZSA-N 2 1 315.505 3.484 20 0 DGADMP Cc1cccc(CN2CCCC[C@H]2c2nc(C3([NH3+])CC3)no2)c1 ZINC001262167324 1107635643 /nfs/dbraw/zinc/63/56/43/1107635643.db2.gz IRBNBMVBSMDROX-HNNXBMFYSA-N 2 1 312.417 3.053 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC001322449104 1107676123 /nfs/dbraw/zinc/67/61/23/1107676123.db2.gz IBDPFVLYKDFPDZ-KRWDZBQOSA-N 2 1 321.440 3.090 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)CCC2 ZINC001322634383 1107722266 /nfs/dbraw/zinc/72/22/66/1107722266.db2.gz ULTPLBPXHBSNFZ-UONOGXRCSA-N 2 1 307.507 3.404 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(N)c1 ZINC000380071913 1108054745 /nfs/dbraw/zinc/05/47/45/1108054745.db2.gz QKZSOKWGZFCZSE-YQVWRLOYSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(N)c1 ZINC000380071913 1108054757 /nfs/dbraw/zinc/05/47/57/1108054757.db2.gz QKZSOKWGZFCZSE-YQVWRLOYSA-N 2 1 322.456 3.295 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001318913386 1108236939 /nfs/dbraw/zinc/23/69/39/1108236939.db2.gz ZCGXFCRYMFQHMT-LJQANCHMSA-N 2 1 320.452 3.292 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC001319187813 1108356366 /nfs/dbraw/zinc/35/63/66/1108356366.db2.gz VEKBMRQSCKTAFW-YJBOKZPZSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC001319187813 1108356379 /nfs/dbraw/zinc/35/63/79/1108356379.db2.gz VEKBMRQSCKTAFW-YJBOKZPZSA-N 2 1 318.461 3.230 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1 ZINC001474736700 1108372386 /nfs/dbraw/zinc/37/23/86/1108372386.db2.gz GNARVVFICWPPIW-CRAIPNDOSA-N 2 1 317.477 3.228 20 0 DGADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1F ZINC001324731630 1108445093 /nfs/dbraw/zinc/44/50/93/1108445093.db2.gz SBBHGBMJUVTHNG-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001324784055 1108464278 /nfs/dbraw/zinc/46/42/78/1108464278.db2.gz HDZMZRRFNZKRTK-ZDUSSCGKSA-N 2 1 320.868 3.337 20 0 DGADMP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001319471877 1108482890 /nfs/dbraw/zinc/48/28/90/1108482890.db2.gz GJNOGENFWQVRLE-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccn2C2CC2)[C@@H](C)C1 ZINC001325118011 1108579867 /nfs/dbraw/zinc/57/98/67/1108579867.db2.gz RNEYKIITHORLBE-LPHOPBHVSA-N 2 1 319.493 3.050 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Br)cc1SC ZINC001325267729 1108608970 /nfs/dbraw/zinc/60/89/70/1108608970.db2.gz OETZIXBQFSPLCU-JTQLQIEISA-N 2 1 317.296 3.259 20 0 DGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265448287 1108874742 /nfs/dbraw/zinc/87/47/42/1108874742.db2.gz QSIMDZJYNIFJOI-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001282683722 1109551666 /nfs/dbraw/zinc/55/16/66/1109551666.db2.gz YFNMXUAIVZAVQQ-MJRGOJFPSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001282683722 1109551670 /nfs/dbraw/zinc/55/16/70/1109551670.db2.gz YFNMXUAIVZAVQQ-MJRGOJFPSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001282683722 1109551674 /nfs/dbraw/zinc/55/16/74/1109551674.db2.gz YFNMXUAIVZAVQQ-MJRGOJFPSA-N 2 1 323.525 3.044 20 0 DGADMP COCCC[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307440074 1111300059 /nfs/dbraw/zinc/30/00/59/1111300059.db2.gz FLXBMPQGWOYFRS-UHFFFAOYSA-N 2 1 318.505 3.300 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC001307594204 1111317838 /nfs/dbraw/zinc/31/78/38/1111317838.db2.gz BLRHGWRQPJEAOX-SFHVURJKSA-N 2 1 301.434 3.291 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC001307594204 1111317841 /nfs/dbraw/zinc/31/78/41/1111317841.db2.gz BLRHGWRQPJEAOX-SFHVURJKSA-N 2 1 301.434 3.291 20 0 DGADMP CC[C@](C)(C(=O)OC)[N@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC001307859141 1111347383 /nfs/dbraw/zinc/34/73/83/1111347383.db2.gz IANLVAHOCUQRJU-GOSISDBHSA-N 2 1 321.465 3.025 20 0 DGADMP CC[C@](C)(C(=O)OC)[N@@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC001307859141 1111347388 /nfs/dbraw/zinc/34/73/88/1111347388.db2.gz IANLVAHOCUQRJU-GOSISDBHSA-N 2 1 321.465 3.025 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977434 1111361697 /nfs/dbraw/zinc/36/16/97/1111361697.db2.gz CDNGTQKTEVEIDU-QRVBRYPASA-N 2 1 302.437 3.477 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977434 1111361701 /nfs/dbraw/zinc/36/17/01/1111361701.db2.gz CDNGTQKTEVEIDU-QRVBRYPASA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977434 1111361707 /nfs/dbraw/zinc/36/17/07/1111361707.db2.gz CDNGTQKTEVEIDU-QRVBRYPASA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977434 1111361710 /nfs/dbraw/zinc/36/17/10/1111361710.db2.gz CDNGTQKTEVEIDU-QRVBRYPASA-N 2 1 302.437 3.477 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001308003478 1111365632 /nfs/dbraw/zinc/36/56/32/1111365632.db2.gz VTRWAKWUQXGLQQ-MOPGFXCFSA-N 2 1 310.526 3.370 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011003 1111366687 /nfs/dbraw/zinc/36/66/87/1111366687.db2.gz IGIXJKCDEZVUOU-WMZOPIPTSA-N 2 1 302.462 3.390 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011003 1111366691 /nfs/dbraw/zinc/36/66/91/1111366691.db2.gz IGIXJKCDEZVUOU-WMZOPIPTSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011003 1111366693 /nfs/dbraw/zinc/36/66/93/1111366693.db2.gz IGIXJKCDEZVUOU-WMZOPIPTSA-N 2 1 302.462 3.390 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)c3)CC[C@@H]21 ZINC001308011003 1111366695 /nfs/dbraw/zinc/36/66/95/1111366695.db2.gz IGIXJKCDEZVUOU-WMZOPIPTSA-N 2 1 302.462 3.390 20 0 DGADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)ccc1OC(F)F ZINC001308195793 1111395027 /nfs/dbraw/zinc/39/50/27/1111395027.db2.gz YNVVBGUMSONJPV-UHFFFAOYSA-N 2 1 316.392 3.117 20 0 DGADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)ccc1OC(F)F ZINC001308195793 1111395033 /nfs/dbraw/zinc/39/50/33/1111395033.db2.gz YNVVBGUMSONJPV-UHFFFAOYSA-N 2 1 316.392 3.117 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC001308202284 1111396208 /nfs/dbraw/zinc/39/62/08/1111396208.db2.gz FNGKHTQWSZVASY-HNNXBMFYSA-N 2 1 318.440 3.075 20 0 DGADMP CC[N@H+](CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1)C(C)C ZINC001308239753 1111402914 /nfs/dbraw/zinc/40/29/14/1111402914.db2.gz FBIMEVJUIJHXHZ-QGZVFWFLSA-N 2 1 304.478 3.263 20 0 DGADMP CC[N@@H+](CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1)C(C)C ZINC001308239753 1111402917 /nfs/dbraw/zinc/40/29/17/1111402917.db2.gz FBIMEVJUIJHXHZ-QGZVFWFLSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC001308257595 1111406213 /nfs/dbraw/zinc/40/62/13/1111406213.db2.gz WLCBMRQFUXCMAU-QYZOEREBSA-N 2 1 302.462 3.023 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC001308257595 1111406216 /nfs/dbraw/zinc/40/62/16/1111406216.db2.gz WLCBMRQFUXCMAU-QYZOEREBSA-N 2 1 302.462 3.023 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001308293199 1111412358 /nfs/dbraw/zinc/41/23/58/1111412358.db2.gz KFLZDDKBPLWBAQ-XIRDDKMYSA-N 2 1 302.462 3.015 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001308293199 1111412361 /nfs/dbraw/zinc/41/23/61/1111412361.db2.gz KFLZDDKBPLWBAQ-XIRDDKMYSA-N 2 1 302.462 3.015 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3scnc3c2)[C@H](C)C1 ZINC001308567487 1111445423 /nfs/dbraw/zinc/44/54/23/1111445423.db2.gz HKNPHRFONBVFJA-CZUORRHYSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3scnc3c2)[C@H](C)C1 ZINC001308567487 1111445425 /nfs/dbraw/zinc/44/54/25/1111445425.db2.gz HKNPHRFONBVFJA-CZUORRHYSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3scnc3c2)[C@H](C)C1 ZINC001308567487 1111445428 /nfs/dbraw/zinc/44/54/28/1111445428.db2.gz HKNPHRFONBVFJA-CZUORRHYSA-N 2 1 303.475 3.458 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)n1 ZINC001308743437 1111469247 /nfs/dbraw/zinc/46/92/47/1111469247.db2.gz GOLJTNONHYYPLQ-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC001308743437 1111469249 /nfs/dbraw/zinc/46/92/49/1111469249.db2.gz GOLJTNONHYYPLQ-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP C[C@@H](CC1CCCCC1)C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001308900763 1111490575 /nfs/dbraw/zinc/49/05/75/1111490575.db2.gz MVNUNTXRXPFPJQ-DFQSSKMNSA-N 3 1 323.569 3.264 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001308971408 1111502425 /nfs/dbraw/zinc/50/24/25/1111502425.db2.gz SXSKCKPGQIIOIO-UHFFFAOYSA-N 2 1 320.477 3.351 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001308971408 1111502429 /nfs/dbraw/zinc/50/24/29/1111502429.db2.gz SXSKCKPGQIIOIO-UHFFFAOYSA-N 2 1 320.477 3.351 20 0 DGADMP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001316769581 1111761545 /nfs/dbraw/zinc/76/15/45/1111761545.db2.gz HHUXHUZDDIMHFN-DKFQHHCZSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC001620502669 1193772733 /nfs/dbraw/zinc/77/27/33/1193772733.db2.gz LTGNEABNHMBVPU-UHFFFAOYSA-N 2 1 304.478 3.488 20 0 DGADMP CCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1F ZINC000278506790 214198585 /nfs/dbraw/zinc/19/85/85/214198585.db2.gz OEYWBIBHJBUWSS-UHFFFAOYSA-N 2 1 305.397 3.299 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626381 214284116 /nfs/dbraw/zinc/28/41/16/214284116.db2.gz RSMHXPKSDRECBF-KGLIPLIRSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626381 214284120 /nfs/dbraw/zinc/28/41/20/214284120.db2.gz RSMHXPKSDRECBF-KGLIPLIRSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626390 214285574 /nfs/dbraw/zinc/28/55/74/214285574.db2.gz RSMHXPKSDRECBF-ZIAGYGMSSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626390 214285577 /nfs/dbraw/zinc/28/55/77/214285577.db2.gz RSMHXPKSDRECBF-ZIAGYGMSSA-N 2 1 312.404 3.116 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000079000107 185144241 /nfs/dbraw/zinc/14/42/41/185144241.db2.gz QAXYMMYHUIKIGL-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000103143186 432003822 /nfs/dbraw/zinc/00/38/22/432003822.db2.gz WSKILKJKMHWDPS-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CCc1c(C)[nH+]c2ccccc2c1NCCC[NH+]1CCOCC1 ZINC000302033043 529491563 /nfs/dbraw/zinc/49/15/63/529491563.db2.gz KUKVTOPCLNDMNA-UHFFFAOYSA-N 2 1 313.445 3.240 20 0 DGADMP CCc1cccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441352280 529542816 /nfs/dbraw/zinc/54/28/16/529542816.db2.gz TZOHXFCNWRBECN-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP CCc1cccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441352280 529542819 /nfs/dbraw/zinc/54/28/19/529542819.db2.gz TZOHXFCNWRBECN-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP CCc1cccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441352280 529542821 /nfs/dbraw/zinc/54/28/21/529542821.db2.gz TZOHXFCNWRBECN-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP CCc1cccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441352280 529542825 /nfs/dbraw/zinc/54/28/25/529542825.db2.gz TZOHXFCNWRBECN-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000277131239 282206211 /nfs/dbraw/zinc/20/62/11/282206211.db2.gz YSSUVPADMGEAAA-IAGOWNOFSA-N 2 1 319.836 3.355 20 0 DGADMP COCC[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000088549861 185257706 /nfs/dbraw/zinc/25/77/06/185257706.db2.gz LGSPOUTWJVAPNQ-INIZCTEOSA-N 2 1 319.493 3.302 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427701790 282209111 /nfs/dbraw/zinc/20/91/11/282209111.db2.gz NKHRMYZQUSVOFA-CQSZACIVSA-N 2 1 324.350 3.273 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000090577746 185304728 /nfs/dbraw/zinc/30/47/28/185304728.db2.gz UPBCDGXMVZLNTN-BXWFABGCSA-N 2 1 304.478 3.336 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]C2CC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000433172110 529771035 /nfs/dbraw/zinc/77/10/35/529771035.db2.gz CAKXOKNYWUCDDR-IBGZPJMESA-N 2 1 315.505 3.143 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679894 529802483 /nfs/dbraw/zinc/80/24/83/529802483.db2.gz AOIZPLNSYKPLCL-LJQANCHMSA-N 2 1 300.446 3.003 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679894 529802484 /nfs/dbraw/zinc/80/24/84/529802484.db2.gz AOIZPLNSYKPLCL-LJQANCHMSA-N 2 1 300.446 3.003 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679894 529802486 /nfs/dbraw/zinc/80/24/86/529802486.db2.gz AOIZPLNSYKPLCL-LJQANCHMSA-N 2 1 300.446 3.003 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679894 529802487 /nfs/dbraw/zinc/80/24/87/529802487.db2.gz AOIZPLNSYKPLCL-LJQANCHMSA-N 2 1 300.446 3.003 20 0 DGADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000430613482 529924802 /nfs/dbraw/zinc/92/48/02/529924802.db2.gz VUMAQTVBKLPLHV-UHFFFAOYSA-N 2 1 303.233 3.056 20 0 DGADMP C[N@H+](CCc1cscn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294917622 529938417 /nfs/dbraw/zinc/93/84/17/529938417.db2.gz IFQNQVVEAHTXST-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[N@@H+](CCc1cscn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294917622 529938419 /nfs/dbraw/zinc/93/84/19/529938419.db2.gz IFQNQVVEAHTXST-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cscn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294917622 529938420 /nfs/dbraw/zinc/93/84/20/529938420.db2.gz IFQNQVVEAHTXST-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1cscn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294917622 529938421 /nfs/dbraw/zinc/93/84/21/529938421.db2.gz IFQNQVVEAHTXST-KRWDZBQOSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH2+]CCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000435880812 529964556 /nfs/dbraw/zinc/96/45/56/529964556.db2.gz LMUNHRFIFLIVDF-UHFFFAOYSA-N 2 1 307.825 3.270 20 0 DGADMP C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435624897 529975192 /nfs/dbraw/zinc/97/51/92/529975192.db2.gz YPOGPFBNBPNWBL-HNNXBMFYSA-N 2 1 303.381 3.055 20 0 DGADMP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435624897 529975193 /nfs/dbraw/zinc/97/51/93/529975193.db2.gz YPOGPFBNBPNWBL-HNNXBMFYSA-N 2 1 303.381 3.055 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000435390086 529993131 /nfs/dbraw/zinc/99/31/31/529993131.db2.gz NUHMUVYKPZOZQX-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2OC)C1 ZINC000435390086 529993132 /nfs/dbraw/zinc/99/31/32/529993132.db2.gz NUHMUVYKPZOZQX-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000297340366 530009438 /nfs/dbraw/zinc/00/94/38/530009438.db2.gz YKYDLVKDMFOOSZ-LJQANCHMSA-N 2 1 323.440 3.009 20 0 DGADMP C[N@H+](Cc1ccccc1OCc1cccnc1)CC(C)(C)C[NH3+] ZINC000435381638 530003981 /nfs/dbraw/zinc/00/39/81/530003981.db2.gz XESOHYOPBQRECU-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP C[N@@H+](Cc1ccccc1OCc1cccnc1)CC(C)(C)C[NH3+] ZINC000435381638 530003983 /nfs/dbraw/zinc/00/39/83/530003983.db2.gz XESOHYOPBQRECU-UHFFFAOYSA-N 2 1 313.445 3.077 20 0 DGADMP C[N@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435436110 530015878 /nfs/dbraw/zinc/01/58/78/530015878.db2.gz DUMPAZKGORAGGP-LBPRGKRZSA-N 2 1 307.488 3.446 20 0 DGADMP C[N@@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435436110 530015879 /nfs/dbraw/zinc/01/58/79/530015879.db2.gz DUMPAZKGORAGGP-LBPRGKRZSA-N 2 1 307.488 3.446 20 0 DGADMP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000130072511 432014428 /nfs/dbraw/zinc/01/44/28/432014428.db2.gz UROKYRNTJVBMJC-QGZVFWFLSA-N 2 1 307.401 3.245 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000279674734 215051989 /nfs/dbraw/zinc/05/19/89/215051989.db2.gz FYJVUWGMYCIHIG-UYAOXDASSA-N 2 1 316.489 3.164 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000279674734 215051991 /nfs/dbraw/zinc/05/19/91/215051991.db2.gz FYJVUWGMYCIHIG-UYAOXDASSA-N 2 1 316.489 3.164 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1F ZINC000272653081 210060459 /nfs/dbraw/zinc/06/04/59/210060459.db2.gz QDKNJVOHXDZXNS-OTWHNJEPSA-N 2 1 320.452 3.244 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272648802 210053627 /nfs/dbraw/zinc/05/36/27/210053627.db2.gz JSUZWSQVSCOKEW-GGPKGHCWSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000121497393 185809171 /nfs/dbraw/zinc/80/91/71/185809171.db2.gz VLVHYUAFAFFCEN-KGLIPLIRSA-N 2 1 318.440 3.384 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279785281 215144187 /nfs/dbraw/zinc/14/41/87/215144187.db2.gz LSYQBAYYYYQEST-LSTHTHJFSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279785281 215144189 /nfs/dbraw/zinc/14/41/89/215144189.db2.gz LSYQBAYYYYQEST-LSTHTHJFSA-N 2 1 316.489 3.180 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000070074239 190854905 /nfs/dbraw/zinc/85/49/05/190854905.db2.gz ZQBONQMGLBOZKW-GFCCVEGCSA-N 2 1 302.340 3.146 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000279821686 215176580 /nfs/dbraw/zinc/17/65/80/215176580.db2.gz YIIVITWDPHWNDO-SECBINFHSA-N 2 1 314.252 3.366 20 0 DGADMP Cc1ccncc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000279969171 215278820 /nfs/dbraw/zinc/27/88/20/215278820.db2.gz PSFLJKKTBOESNZ-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC000287073897 219298416 /nfs/dbraw/zinc/29/84/16/219298416.db2.gz VDRHPZHMRWLXAA-IBGZPJMESA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC000287073897 219298419 /nfs/dbraw/zinc/29/84/19/219298419.db2.gz VDRHPZHMRWLXAA-IBGZPJMESA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150751069 186062909 /nfs/dbraw/zinc/06/29/09/186062909.db2.gz FPVMYXBSHQSRCY-FQEVSTJZSA-N 2 1 316.489 3.054 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150759290 186065013 /nfs/dbraw/zinc/06/50/13/186065013.db2.gz RZTVXRIFRIJPJA-QGZVFWFLSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150759290 186065015 /nfs/dbraw/zinc/06/50/15/186065015.db2.gz RZTVXRIFRIJPJA-QGZVFWFLSA-N 2 1 302.462 3.392 20 0 DGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152464172 186076325 /nfs/dbraw/zinc/07/63/25/186076325.db2.gz OSXGIFFYWNPEJO-STQMWFEESA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152464172 186076327 /nfs/dbraw/zinc/07/63/27/186076327.db2.gz OSXGIFFYWNPEJO-STQMWFEESA-N 2 1 308.853 3.484 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000280029301 215324135 /nfs/dbraw/zinc/32/41/35/215324135.db2.gz UOCQZKJBRRDYSG-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2C)C1 ZINC000280029301 215324137 /nfs/dbraw/zinc/32/41/37/215324137.db2.gz UOCQZKJBRRDYSG-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177902709 186201447 /nfs/dbraw/zinc/20/14/47/186201447.db2.gz QUXZWYGWEUXFIH-GXTWGEPZSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177902709 186201449 /nfs/dbraw/zinc/20/14/49/186201449.db2.gz QUXZWYGWEUXFIH-GXTWGEPZSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177902695 186201493 /nfs/dbraw/zinc/20/14/93/186201493.db2.gz QUXZWYGWEUXFIH-TZMCWYRMSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177902695 186201494 /nfs/dbraw/zinc/20/14/94/186201494.db2.gz QUXZWYGWEUXFIH-TZMCWYRMSA-N 2 1 316.367 3.157 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000268762242 186383340 /nfs/dbraw/zinc/38/33/40/186383340.db2.gz HTUVZFREUKKPQK-WBAXXEDZSA-N 2 1 318.461 3.119 20 0 DGADMP COCc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000268762242 186383342 /nfs/dbraw/zinc/38/33/42/186383342.db2.gz HTUVZFREUKKPQK-WBAXXEDZSA-N 2 1 318.461 3.119 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000277173667 213344276 /nfs/dbraw/zinc/34/42/76/213344276.db2.gz MXHBFQRVSZVNDB-SFHVURJKSA-N 2 1 311.429 3.093 20 0 DGADMP Cc1cc[nH+]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000277173667 213344278 /nfs/dbraw/zinc/34/42/78/213344278.db2.gz MXHBFQRVSZVNDB-SFHVURJKSA-N 2 1 311.429 3.093 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000072860657 191241122 /nfs/dbraw/zinc/24/11/22/191241122.db2.gz RSNAHVLPOSSCQU-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000072860657 191241125 /nfs/dbraw/zinc/24/11/25/191241125.db2.gz RSNAHVLPOSSCQU-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000072860657 191241128 /nfs/dbraw/zinc/24/11/28/191241128.db2.gz RSNAHVLPOSSCQU-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000072860657 191241130 /nfs/dbraw/zinc/24/11/30/191241130.db2.gz RSNAHVLPOSSCQU-OAHLLOKOSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000072803503 191231685 /nfs/dbraw/zinc/23/16/85/191231685.db2.gz MZDRMGCULWHTFC-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3c1OC(C)(C)C3)CC[NH2+]CC2 ZINC000424385757 290363551 /nfs/dbraw/zinc/36/35/51/290363551.db2.gz WQDDIUAEFGADCH-HNNXBMFYSA-N 2 1 314.473 3.364 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCO2 ZINC000423063977 283006645 /nfs/dbraw/zinc/00/66/45/283006645.db2.gz QFXMDASSZRMHBD-MWQQHZPXSA-N 2 1 304.409 3.160 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180524141 283061664 /nfs/dbraw/zinc/06/16/64/283061664.db2.gz XZSOADJAIKJNFP-SJORKVTESA-N 2 1 304.478 3.462 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180524141 283061667 /nfs/dbraw/zinc/06/16/67/283061667.db2.gz XZSOADJAIKJNFP-SJORKVTESA-N 2 1 304.478 3.462 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180524141 283061669 /nfs/dbraw/zinc/06/16/69/283061669.db2.gz XZSOADJAIKJNFP-SJORKVTESA-N 2 1 304.478 3.462 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000165283187 432054769 /nfs/dbraw/zinc/05/47/69/432054769.db2.gz KPHLNRWYYONRSG-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000166051038 432058831 /nfs/dbraw/zinc/05/88/31/432058831.db2.gz OFHSTLOAYFKIAU-OXQOHEQNSA-N 2 1 314.473 3.371 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000166403735 432060919 /nfs/dbraw/zinc/06/09/19/432060919.db2.gz QWFKWDFQPQTHCA-NJAFHUGGSA-N 2 1 304.478 3.335 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000166403735 432060921 /nfs/dbraw/zinc/06/09/21/432060921.db2.gz QWFKWDFQPQTHCA-NJAFHUGGSA-N 2 1 304.478 3.335 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000166561839 432062085 /nfs/dbraw/zinc/06/20/85/432062085.db2.gz BGZIZGUCWASHCX-QUCCMNQESA-N 2 1 316.489 3.199 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857066 432066612 /nfs/dbraw/zinc/06/66/12/432066612.db2.gz FYLMHXSAEGCEMJ-VXNCWWDNSA-N 2 1 317.521 3.434 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000276884578 213155759 /nfs/dbraw/zinc/15/57/59/213155759.db2.gz LIGODEBYNLKQQN-NEWSRXKRSA-N 2 1 318.505 3.425 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)O ZINC000276884578 213155762 /nfs/dbraw/zinc/15/57/62/213155762.db2.gz LIGODEBYNLKQQN-NEWSRXKRSA-N 2 1 318.505 3.425 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337236 432068655 /nfs/dbraw/zinc/06/86/55/432068655.db2.gz WBBKQSFOJLIXNE-XYJFISCASA-N 2 1 301.478 3.420 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2)c1 ZINC000168337236 432068656 /nfs/dbraw/zinc/06/86/56/432068656.db2.gz WBBKQSFOJLIXNE-XYJFISCASA-N 2 1 301.478 3.420 20 0 DGADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncn1 ZINC000133900976 432071798 /nfs/dbraw/zinc/07/17/98/432071798.db2.gz BQGVUIYQXVSQHG-MOPGFXCFSA-N 2 1 322.456 3.276 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000134146211 432074121 /nfs/dbraw/zinc/07/41/21/432074121.db2.gz FJJKOWHNWFZAET-UHFFFAOYSA-N 2 1 308.466 3.370 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180446176 199160581 /nfs/dbraw/zinc/16/05/81/199160581.db2.gz CZUUIHOPULQEOL-OWCLPIDISA-N 2 1 322.518 3.496 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549823 199173891 /nfs/dbraw/zinc/17/38/91/199173891.db2.gz GMRZJQTWJUPHFX-CYBMUJFWSA-N 2 1 318.490 3.047 20 0 DGADMP CN(CC[N@@H+](C)[C@@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000180962824 199233966 /nfs/dbraw/zinc/23/39/66/199233966.db2.gz FXIBFILDMCREGF-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP Cc1ccc(F)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180146845 432079490 /nfs/dbraw/zinc/07/94/90/432079490.db2.gz YJVLMKHKLMYXPW-IYBDPMFKSA-N 2 1 308.441 3.113 20 0 DGADMP Cc1cccc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1Br ZINC000415102840 237079331 /nfs/dbraw/zinc/07/93/31/237079331.db2.gz JDOZZZOAXIYJES-TZMCWYRMSA-N 2 1 311.267 3.378 20 0 DGADMP Cc1ccccc1OCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415088286 237065952 /nfs/dbraw/zinc/06/59/52/237065952.db2.gz WGEGRSNFNDMEMR-MOPGFXCFSA-N 2 1 310.441 3.457 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415084826 237067971 /nfs/dbraw/zinc/06/79/71/237067971.db2.gz RPSPGCWBBBYIID-DYXWJJEUSA-N 2 1 321.468 3.348 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccccc2s1 ZINC000187821666 200161207 /nfs/dbraw/zinc/16/12/07/200161207.db2.gz LWXUXUAFBSKHRI-CQSZACIVSA-N 2 1 318.486 3.399 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000237564038 202284457 /nfs/dbraw/zinc/28/44/57/202284457.db2.gz YNAWPTFZJIMCBU-GFCCVEGCSA-N 2 1 306.479 3.371 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281099818 216077701 /nfs/dbraw/zinc/07/77/01/216077701.db2.gz BITNEEZBDQBGSO-SJCJKPOMSA-N 2 1 302.397 3.103 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C/c2ccccc2)C[C@H](C)O1 ZINC000237666938 202323093 /nfs/dbraw/zinc/32/30/93/202323093.db2.gz OLWDTVXUUPMWFP-VKABTOIXSA-N 2 1 302.462 3.179 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281124898 216094190 /nfs/dbraw/zinc/09/41/90/216094190.db2.gz DOBNZUGYILZKCD-GOSISDBHSA-N 2 1 305.441 3.382 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423434935 237849654 /nfs/dbraw/zinc/84/96/54/237849654.db2.gz KUYSRTIKAABLAG-PNHOKKKMSA-N 3 1 324.472 3.219 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H](C)C2 ZINC000180516393 432089501 /nfs/dbraw/zinc/08/95/01/432089501.db2.gz VPRKHFLAHMWTQV-ILZDJORESA-N 2 1 316.489 3.055 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033406 238007454 /nfs/dbraw/zinc/00/74/54/238007454.db2.gz MNZVUTQBUIXWNC-IEBWSBKVSA-N 2 1 310.441 3.293 20 0 DGADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000430547391 238079445 /nfs/dbraw/zinc/07/94/45/238079445.db2.gz KWDYTMGRCFUPMW-FQEVSTJZSA-N 2 1 323.440 3.156 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430572392 238080206 /nfs/dbraw/zinc/08/02/06/238080206.db2.gz OBLUZCNZSUOFLQ-OLZOCXBDSA-N 2 1 316.367 3.143 20 0 DGADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000333750567 283568343 /nfs/dbraw/zinc/56/83/43/283568343.db2.gz YXWDRCUGTSGOEC-CJNGLKHVSA-N 2 1 317.458 3.019 20 0 DGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432407527 238127707 /nfs/dbraw/zinc/12/77/07/238127707.db2.gz MPEKPPGPETXRCT-IAGOWNOFSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432407527 238127708 /nfs/dbraw/zinc/12/77/08/238127708.db2.gz MPEKPPGPETXRCT-IAGOWNOFSA-N 2 1 322.468 3.237 20 0 DGADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000271874114 209286159 /nfs/dbraw/zinc/28/61/59/209286159.db2.gz RAAYBMMYGKNVKP-SFHVURJKSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194027992 201165665 /nfs/dbraw/zinc/16/56/65/201165665.db2.gz XHVWUIPWFWDOIS-BRSBDYLESA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H](CC[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000194421493 201223856 /nfs/dbraw/zinc/22/38/56/201223856.db2.gz ZHWATPOPKPUXDE-GOSISDBHSA-N 2 1 317.521 3.043 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1Oc1cccnc1 ZINC000194540534 201246760 /nfs/dbraw/zinc/24/67/60/201246760.db2.gz QROATZUDXDIYML-HDICACEKSA-N 2 1 323.440 3.176 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1Oc1cccnc1 ZINC000194540534 201246763 /nfs/dbraw/zinc/24/67/63/201246763.db2.gz QROATZUDXDIYML-HDICACEKSA-N 2 1 323.440 3.176 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Oc1cccnc1 ZINC000194540534 201246765 /nfs/dbraw/zinc/24/67/65/201246765.db2.gz QROATZUDXDIYML-HDICACEKSA-N 2 1 323.440 3.176 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Oc1cccnc1 ZINC000194540534 201246768 /nfs/dbraw/zinc/24/67/68/201246768.db2.gz QROATZUDXDIYML-HDICACEKSA-N 2 1 323.440 3.176 20 0 DGADMP COCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000442786679 239123024 /nfs/dbraw/zinc/12/30/24/239123024.db2.gz VYRZVDBUAAXMCQ-OLMNPRSZSA-N 2 1 308.441 3.366 20 0 DGADMP COCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000442786679 239123027 /nfs/dbraw/zinc/12/30/27/239123027.db2.gz VYRZVDBUAAXMCQ-OLMNPRSZSA-N 2 1 308.441 3.366 20 0 DGADMP CC(C)(C[NH2+][C@@H](c1cncc(F)c1)C1CC1)C[NH+]1CCCC1 ZINC000281565621 216388438 /nfs/dbraw/zinc/38/84/38/216388438.db2.gz KAAPTGWGHOENLS-QGZVFWFLSA-N 2 1 305.441 3.383 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000246164925 432101793 /nfs/dbraw/zinc/10/17/93/432101793.db2.gz AOLUVKKZCZGPPN-BEFAXECRSA-N 2 1 314.473 3.320 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000268547845 432102874 /nfs/dbraw/zinc/10/28/74/432102874.db2.gz MNBYVRPFUHXMEV-ROUUACIJSA-N 2 1 302.462 3.359 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000275486481 212365555 /nfs/dbraw/zinc/36/55/55/212365555.db2.gz ITFMMZFKONWPGQ-CHWSQXEVSA-N 2 1 321.371 3.398 20 0 DGADMP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246184777 432103988 /nfs/dbraw/zinc/10/39/88/432103988.db2.gz HLIIEJHSNYJQAH-IAGOWNOFSA-N 2 1 304.478 3.433 20 0 DGADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000449092023 240012638 /nfs/dbraw/zinc/01/26/38/240012638.db2.gz KZCFGVVUCPOUCX-HOTGVXAUSA-N 2 1 317.477 3.388 20 0 DGADMP Cc1cccc(CC[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000449181219 240054447 /nfs/dbraw/zinc/05/44/47/240054447.db2.gz FXJHKNBXAXSEOM-UHFFFAOYSA-N 2 1 304.478 3.017 20 0 DGADMP COCC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449295474 240114558 /nfs/dbraw/zinc/11/45/58/240114558.db2.gz SMQKASGCTHIYPE-IOJLRTSASA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccnn1C1CCCC1)[NH+]1CCCCC1 ZINC000449237672 240086069 /nfs/dbraw/zinc/08/60/69/240086069.db2.gz CKUVXNQPUGTUML-MRXNPFEDSA-N 2 1 304.482 3.352 20 0 DGADMP CC1(F)CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000449377743 240162520 /nfs/dbraw/zinc/16/25/20/240162520.db2.gz UGLOFPXROZREMA-PGFIRFOUSA-N 2 1 302.437 3.377 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](COC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000449481640 240232834 /nfs/dbraw/zinc/23/28/34/240232834.db2.gz UWNOOIXRTVOOJN-HFTRVMKXSA-N 2 1 324.896 3.390 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000171141685 432105533 /nfs/dbraw/zinc/10/55/33/432105533.db2.gz PZSBLTBWMXURHP-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000091333621 193042262 /nfs/dbraw/zinc/04/22/62/193042262.db2.gz PRBKGAGHWWQWJV-LJQANCHMSA-N 2 1 303.494 3.001 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091346692 193044458 /nfs/dbraw/zinc/04/44/58/193044458.db2.gz STDODFAJMZYTMG-CQSZACIVSA-N 2 1 311.433 3.209 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Br ZINC000092001078 193139394 /nfs/dbraw/zinc/13/93/94/193139394.db2.gz ATMREDVLLLKWPZ-TZMCWYRMSA-N 2 1 311.267 3.330 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451336484 241085834 /nfs/dbraw/zinc/08/58/34/241085834.db2.gz WHMBMVHGUPUXDQ-KRWDZBQOSA-N 2 1 321.852 3.291 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451336484 241085839 /nfs/dbraw/zinc/08/58/39/241085839.db2.gz WHMBMVHGUPUXDQ-KRWDZBQOSA-N 2 1 321.852 3.291 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4nccn4c3)c2C1 ZINC000171177012 432110066 /nfs/dbraw/zinc/11/00/66/432110066.db2.gz VABMZWFRDLSAPF-UHFFFAOYSA-N 2 1 320.396 3.312 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4nccn4c3)c2C1 ZINC000171177012 432110071 /nfs/dbraw/zinc/11/00/71/432110071.db2.gz VABMZWFRDLSAPF-UHFFFAOYSA-N 2 1 320.396 3.312 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccccc1 ZINC000298120740 283927791 /nfs/dbraw/zinc/92/77/91/283927791.db2.gz PHJJPSIVCNQDOF-OALUTQOASA-N 2 1 302.462 3.105 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CC)c2)[C@@H](C)C1 ZINC000189999094 432111402 /nfs/dbraw/zinc/11/14/02/432111402.db2.gz OOIRNKAYMIZVAD-FXAWDEMLSA-N 2 1 318.505 3.476 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000246261821 432113329 /nfs/dbraw/zinc/11/33/29/432113329.db2.gz LGQGRFLMDWEBRF-LPHOPBHVSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000246261821 432113333 /nfs/dbraw/zinc/11/33/33/432113333.db2.gz LGQGRFLMDWEBRF-LPHOPBHVSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000246278117 432114879 /nfs/dbraw/zinc/11/48/79/432114879.db2.gz NGKFLMXRDSSZDM-QFBILLFUSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000246278117 432114883 /nfs/dbraw/zinc/11/48/83/432114883.db2.gz NGKFLMXRDSSZDM-QFBILLFUSA-N 2 1 313.445 3.434 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092795334 284008660 /nfs/dbraw/zinc/00/86/60/284008660.db2.gz BPIQHAIYUYRWEW-ZRNYENFQSA-N 2 1 321.553 3.303 20 0 DGADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1O ZINC000459381827 243352964 /nfs/dbraw/zinc/35/29/64/243352964.db2.gz VIDYHGRLVLZSEQ-HOCLYGCPSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)ccc1O ZINC000459381827 243352967 /nfs/dbraw/zinc/35/29/67/243352967.db2.gz VIDYHGRLVLZSEQ-HOCLYGCPSA-N 2 1 306.450 3.096 20 0 DGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1O ZINC000459381827 243352980 /nfs/dbraw/zinc/35/29/80/243352980.db2.gz VIDYHGRLVLZSEQ-HOCLYGCPSA-N 2 1 306.450 3.096 20 0 DGADMP C[C@@H](NCc1cnc(C2CC2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459238 243379326 /nfs/dbraw/zinc/37/93/26/243379326.db2.gz HYWYESUKRZGGGG-RHSMWYFYSA-N 2 1 314.477 3.097 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459459238 243379331 /nfs/dbraw/zinc/37/93/31/243379331.db2.gz HYWYESUKRZGGGG-RHSMWYFYSA-N 2 1 314.477 3.097 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459459238 243379334 /nfs/dbraw/zinc/37/93/34/243379334.db2.gz HYWYESUKRZGGGG-RHSMWYFYSA-N 2 1 314.477 3.097 20 0 DGADMP CCOc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)ccc1O ZINC000459429220 243367174 /nfs/dbraw/zinc/36/71/74/243367174.db2.gz CKEAYZCDDHUKTF-UHFFFAOYSA-N 2 1 308.466 3.389 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000092745649 193187932 /nfs/dbraw/zinc/18/79/32/193187932.db2.gz ISRGJKDMRCMMOT-HKUYNNGSSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCOC1 ZINC000164957416 296129297 /nfs/dbraw/zinc/12/92/97/296129297.db2.gz FWDYSHBGEJTUDF-DLTWYDFYSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]1CCOC1 ZINC000164957416 296129298 /nfs/dbraw/zinc/12/92/98/296129298.db2.gz FWDYSHBGEJTUDF-DLTWYDFYSA-N 2 1 308.491 3.146 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000469026958 244080392 /nfs/dbraw/zinc/08/03/92/244080392.db2.gz MWBISRQZBSJTAZ-IBGZPJMESA-N 2 1 318.505 3.202 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000469983619 244137544 /nfs/dbraw/zinc/13/75/44/244137544.db2.gz QKTTVMQMQVNCCW-HNNXBMFYSA-N 2 1 312.379 3.494 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000470022365 244141815 /nfs/dbraw/zinc/14/18/15/244141815.db2.gz KRSNYYPEQNFZHU-INIZCTEOSA-N 2 1 321.484 3.493 20 0 DGADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000470022365 244141819 /nfs/dbraw/zinc/14/18/19/244141819.db2.gz KRSNYYPEQNFZHU-INIZCTEOSA-N 2 1 321.484 3.493 20 0 DGADMP CC(C)OCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471852503 244259539 /nfs/dbraw/zinc/25/95/39/244259539.db2.gz VZEXWMNAVFFXER-MOPGFXCFSA-N 2 1 304.478 3.084 20 0 DGADMP CC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CC)C3)COC2)C1 ZINC000119316475 284140548 /nfs/dbraw/zinc/14/05/48/284140548.db2.gz SLIPEAQSLIJGTR-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP CC[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](CC)C3)COC2)C1 ZINC000119316475 284140553 /nfs/dbraw/zinc/14/05/53/284140553.db2.gz SLIPEAQSLIJGTR-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP CC[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](CC)C3)COC2)C1 ZINC000119316475 284140555 /nfs/dbraw/zinc/14/05/55/284140555.db2.gz SLIPEAQSLIJGTR-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000093318508 193231207 /nfs/dbraw/zinc/23/12/07/193231207.db2.gz BXVVUKDQHVEZAH-YLJYHZDGSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000093318508 193231209 /nfs/dbraw/zinc/23/12/09/193231209.db2.gz BXVVUKDQHVEZAH-YLJYHZDGSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318508 193231211 /nfs/dbraw/zinc/23/12/11/193231211.db2.gz BXVVUKDQHVEZAH-YLJYHZDGSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318508 193231213 /nfs/dbraw/zinc/23/12/13/193231213.db2.gz BXVVUKDQHVEZAH-YLJYHZDGSA-N 2 1 314.473 3.318 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597348 193272739 /nfs/dbraw/zinc/27/27/39/193272739.db2.gz WEDOGFZNUMAUEU-CQSZACIVSA-N 2 1 316.474 3.056 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597348 193272741 /nfs/dbraw/zinc/27/27/41/193272741.db2.gz WEDOGFZNUMAUEU-CQSZACIVSA-N 2 1 316.474 3.056 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ccc21 ZINC000486984706 245009614 /nfs/dbraw/zinc/00/96/14/245009614.db2.gz TWLAEGFCOYXWBE-WMLDXEAASA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984706 245009619 /nfs/dbraw/zinc/00/96/19/245009619.db2.gz TWLAEGFCOYXWBE-WMLDXEAASA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000486984706 245009627 /nfs/dbraw/zinc/00/96/27/245009627.db2.gz TWLAEGFCOYXWBE-WMLDXEAASA-N 2 1 321.428 3.280 20 0 DGADMP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487268857 245041564 /nfs/dbraw/zinc/04/15/64/245041564.db2.gz HKBRSRBMYBXYFC-ANIGNSTFSA-N 2 1 321.468 3.249 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246355732 432122976 /nfs/dbraw/zinc/12/29/76/432122976.db2.gz WRCAMLCRUMYHNS-QAPCUYQASA-N 2 1 313.445 3.462 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1 ZINC000264656727 204058266 /nfs/dbraw/zinc/05/82/66/204058266.db2.gz UOPZLHYETVCQFQ-IQIBNGDESA-N 2 1 315.461 3.117 20 0 DGADMP CCCc1cc(N[C@H]2CCn3cc[nH+]c3C2)c2ccccc2[nH+]1 ZINC000489896514 245358634 /nfs/dbraw/zinc/35/86/34/245358634.db2.gz NYDGTXLPYFFFRG-HNNXBMFYSA-N 2 1 306.413 3.233 20 0 DGADMP CCc1c(C)[nH+]c2ccccc2c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489895233 245359118 /nfs/dbraw/zinc/35/91/18/245359118.db2.gz KJNNWBJBYJGUPL-CQSZACIVSA-N 2 1 306.413 3.151 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124342401 284257744 /nfs/dbraw/zinc/25/77/44/284257744.db2.gz FWOCTSHHSOLHSG-QGZVFWFLSA-N 2 1 317.521 3.173 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000125527764 284278242 /nfs/dbraw/zinc/27/82/42/284278242.db2.gz CLAAQWRLYVESHC-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000125527764 284278243 /nfs/dbraw/zinc/27/82/43/284278243.db2.gz CLAAQWRLYVESHC-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000125527764 284278244 /nfs/dbraw/zinc/27/82/44/284278244.db2.gz CLAAQWRLYVESHC-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000282484157 217030111 /nfs/dbraw/zinc/03/01/11/217030111.db2.gz LXVFOBCBGYOPKM-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000282484157 217030115 /nfs/dbraw/zinc/03/01/15/217030115.db2.gz LXVFOBCBGYOPKM-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCO ZINC000282491348 217036427 /nfs/dbraw/zinc/03/64/27/217036427.db2.gz MNYNWAVIYHDEAN-SFHVURJKSA-N 2 1 304.478 3.039 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCO ZINC000282491348 217036436 /nfs/dbraw/zinc/03/64/36/217036436.db2.gz MNYNWAVIYHDEAN-SFHVURJKSA-N 2 1 304.478 3.039 20 0 DGADMP COc1ccc2oc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)cc2c1 ZINC000126371737 284302501 /nfs/dbraw/zinc/30/25/01/284302501.db2.gz YNCUNMBBJSHLMN-GJZGRUSLSA-N 2 1 302.418 3.404 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000282541370 217074952 /nfs/dbraw/zinc/07/49/52/217074952.db2.gz BUSQGANXTLGCJC-HIFRSBDPSA-N 2 1 303.837 3.320 20 0 DGADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744351 432127857 /nfs/dbraw/zinc/12/78/57/432127857.db2.gz REFTYZCQLIMVBX-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000282838273 217284489 /nfs/dbraw/zinc/28/44/89/217284489.db2.gz SQLLEZSIFNJEAI-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccs1 ZINC000128481024 284376789 /nfs/dbraw/zinc/37/67/89/284376789.db2.gz OIYUXJWKJQLYPU-QGZVFWFLSA-N 2 1 323.550 3.453 20 0 DGADMP Cc1noc(C2CCC([NH2+]CC3([NH+](C)C)CCCCC3)CC2)n1 ZINC000494880852 246206446 /nfs/dbraw/zinc/20/64/46/246206446.db2.gz UGIAERDMWJUJNO-UHFFFAOYSA-N 2 1 320.481 3.258 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000268802010 432135906 /nfs/dbraw/zinc/13/59/06/432135906.db2.gz BFNOJXUKGUGXMJ-OCCSQVGLSA-N 2 1 300.368 3.320 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nccs1 ZINC000268805934 432138779 /nfs/dbraw/zinc/13/87/79/432138779.db2.gz KQGGWXORLMFCIE-DOTOQJQBSA-N 2 1 315.486 3.186 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2Br)CC[N@H+]1C ZINC000268823918 432141819 /nfs/dbraw/zinc/14/18/19/432141819.db2.gz QGUXWOFGRLGCJZ-JSGCOSHPSA-N 2 1 311.267 3.064 20 0 DGADMP Fc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246577258 432144967 /nfs/dbraw/zinc/14/49/67/432144967.db2.gz LTWRRGZCHFHYOZ-HNAYVOBHSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246577258 432144969 /nfs/dbraw/zinc/14/49/69/432144969.db2.gz LTWRRGZCHFHYOZ-HNAYVOBHSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246577258 432144974 /nfs/dbraw/zinc/14/49/74/432144974.db2.gz LTWRRGZCHFHYOZ-HNAYVOBHSA-N 2 1 318.436 3.153 20 0 DGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000152613275 284631437 /nfs/dbraw/zinc/63/14/37/284631437.db2.gz BTPLVQWMINSYMN-MJGOQNOKSA-N 2 1 308.510 3.458 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000268835773 207000360 /nfs/dbraw/zinc/00/03/60/207000360.db2.gz UFEXAHRTMSNJFI-SECBINFHSA-N 2 1 314.252 3.366 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208985 197095868 /nfs/dbraw/zinc/09/58/68/197095868.db2.gz OGOLPJBPXRRHQH-FTEYMNFISA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208985 197095870 /nfs/dbraw/zinc/09/58/70/197095870.db2.gz OGOLPJBPXRRHQH-FTEYMNFISA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000268897997 207066252 /nfs/dbraw/zinc/06/62/52/207066252.db2.gz QMVANFKOVSFDOQ-CVEARBPZSA-N 2 1 302.462 3.488 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000268966999 207130610 /nfs/dbraw/zinc/13/06/10/207130610.db2.gz YQYIMOGAJCYNBB-YOEHRIQHSA-N 2 1 310.869 3.228 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000268969217 207132121 /nfs/dbraw/zinc/13/21/21/207132121.db2.gz ZAHWOGQPEXNPIF-ZLTBNTPESA-N 2 1 302.462 3.195 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)cc1 ZINC000269001346 207155680 /nfs/dbraw/zinc/15/56/80/207155680.db2.gz PKFHTRVHCRKQDN-ILXRZTDVSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000269001196 207156117 /nfs/dbraw/zinc/15/61/17/207156117.db2.gz LPMBJZCIKWDWRD-CQSZACIVSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000269042765 207192564 /nfs/dbraw/zinc/19/25/64/207192564.db2.gz XNLXYXXQCFEXSI-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000269042765 207192569 /nfs/dbraw/zinc/19/25/69/207192569.db2.gz XNLXYXXQCFEXSI-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705595 184248919 /nfs/dbraw/zinc/24/89/19/184248919.db2.gz SALVJCDBVNCUPV-LBPRGKRZSA-N 2 1 300.368 3.458 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705595 184248921 /nfs/dbraw/zinc/24/89/21/184248921.db2.gz SALVJCDBVNCUPV-LBPRGKRZSA-N 2 1 300.368 3.458 20 0 DGADMP C[N@@H+](Cc1cccc(Br)c1)CC1(C)CC[NH2+]CC1 ZINC000062841781 184255530 /nfs/dbraw/zinc/25/55/30/184255530.db2.gz ZVXMCYLWSLRQSI-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539914 224077850 /nfs/dbraw/zinc/07/78/50/224077850.db2.gz KHOMSABNGLMXSJ-JOMPHRNESA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000294539914 224077851 /nfs/dbraw/zinc/07/78/51/224077851.db2.gz KHOMSABNGLMXSJ-JOMPHRNESA-N 2 1 316.489 3.443 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000248686624 285017920 /nfs/dbraw/zinc/01/79/20/285017920.db2.gz ZRFMAYYYKCBLCS-UYAOXDASSA-N 2 1 314.473 3.223 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000248686624 285017922 /nfs/dbraw/zinc/01/79/22/285017922.db2.gz ZRFMAYYYKCBLCS-UYAOXDASSA-N 2 1 314.473 3.223 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248725973 285019892 /nfs/dbraw/zinc/01/98/92/285019892.db2.gz ILJZNWLJXBZOSE-ZJPYXAASSA-N 2 1 306.494 3.188 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248879087 285034923 /nfs/dbraw/zinc/03/49/23/285034923.db2.gz NSQURKJOWRKOEF-WBVHZDCISA-N 2 1 322.468 3.334 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCOC1 ZINC000119713474 195024230 /nfs/dbraw/zinc/02/42/30/195024230.db2.gz KDJDVDSADKNHEJ-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCOC1 ZINC000119713474 195024232 /nfs/dbraw/zinc/02/42/32/195024232.db2.gz KDJDVDSADKNHEJ-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000248890275 285036786 /nfs/dbraw/zinc/03/67/86/285036786.db2.gz RXBIHKXWZWIEMS-UYAOXDASSA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000248890275 285036788 /nfs/dbraw/zinc/03/67/88/285036788.db2.gz RXBIHKXWZWIEMS-UYAOXDASSA-N 2 1 314.473 3.392 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249015788 285046068 /nfs/dbraw/zinc/04/60/68/285046068.db2.gz POVVVMQUXYREFJ-NVXWUHKLSA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249015788 285046070 /nfs/dbraw/zinc/04/60/70/285046070.db2.gz POVVVMQUXYREFJ-NVXWUHKLSA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249015788 285046072 /nfs/dbraw/zinc/04/60/72/285046072.db2.gz POVVVMQUXYREFJ-NVXWUHKLSA-N 2 1 322.468 3.287 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000303099624 252890386 /nfs/dbraw/zinc/89/03/86/252890386.db2.gz IQJNNFVMBIWLAZ-RTBURBONSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337285740 253078706 /nfs/dbraw/zinc/07/87/06/253078706.db2.gz KERXUCDHUVUJFB-LMMKCTJWSA-N 2 1 301.478 3.429 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000337375640 253101391 /nfs/dbraw/zinc/10/13/91/253101391.db2.gz AHGCFLIRCQBIHD-HLLBOEOZSA-N 2 1 306.498 3.137 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000337356928 253095751 /nfs/dbraw/zinc/09/57/51/253095751.db2.gz AXSCQSWYJZBEJP-HNNXBMFYSA-N 2 1 320.477 3.017 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000337356931 253096194 /nfs/dbraw/zinc/09/61/94/253096194.db2.gz AXSCQSWYJZBEJP-OAHLLOKOSA-N 2 1 320.477 3.017 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000270255590 208321635 /nfs/dbraw/zinc/32/16/35/208321635.db2.gz RZPVMPOQXMWFJO-ZDUSSCGKSA-N 2 1 317.481 3.186 20 0 DGADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337652083 253154639 /nfs/dbraw/zinc/15/46/39/253154639.db2.gz DVXCVPWNFQRRMX-LSTHTHJFSA-N 2 1 316.489 3.114 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000338022880 253211764 /nfs/dbraw/zinc/21/17/64/253211764.db2.gz YNBZEHMCVIBVEF-LBPRGKRZSA-N 2 1 304.463 3.268 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000252715980 285104162 /nfs/dbraw/zinc/10/41/62/285104162.db2.gz XHBZSFPONJUOBW-QMTHXVAHSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000252715980 285104165 /nfs/dbraw/zinc/10/41/65/285104165.db2.gz XHBZSFPONJUOBW-QMTHXVAHSA-N 2 1 315.230 3.018 20 0 DGADMP Cc1n[nH]cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174361 253237051 /nfs/dbraw/zinc/23/70/51/253237051.db2.gz BBXMNNWNYWRFHR-QAPCUYQASA-N 2 1 312.461 3.108 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000253355827 285108707 /nfs/dbraw/zinc/10/87/07/285108707.db2.gz UUTDPNTYXPLPNX-RTBURBONSA-N 2 1 307.526 3.057 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000159146274 197331200 /nfs/dbraw/zinc/33/12/00/197331200.db2.gz LBCHHJQHINFAKC-ZDUSSCGKSA-N 2 1 312.404 3.116 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000338544470 253307218 /nfs/dbraw/zinc/30/72/18/253307218.db2.gz BENIFYKUFYEQAG-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000338545630 253307803 /nfs/dbraw/zinc/30/78/03/253307803.db2.gz BPBPQXINRHLAAY-ZDUSSCGKSA-N 2 1 316.898 3.334 20 0 DGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCO2)CC3)cc1 ZINC000339058230 253398826 /nfs/dbraw/zinc/39/88/26/253398826.db2.gz MQYCXKWAQUGWPC-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000339008930 253388100 /nfs/dbraw/zinc/38/81/00/253388100.db2.gz CMAHNPKGKPUJLC-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000339008930 253388103 /nfs/dbraw/zinc/38/81/03/253388103.db2.gz CMAHNPKGKPUJLC-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000339008930 253388105 /nfs/dbraw/zinc/38/81/05/253388105.db2.gz CMAHNPKGKPUJLC-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000339008932 253388370 /nfs/dbraw/zinc/38/83/70/253388370.db2.gz CMAHNPKGKPUJLC-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000339008932 253388372 /nfs/dbraw/zinc/38/83/72/253388372.db2.gz CMAHNPKGKPUJLC-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000339008932 253388374 /nfs/dbraw/zinc/38/83/74/253388374.db2.gz CMAHNPKGKPUJLC-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286525547 219036383 /nfs/dbraw/zinc/03/63/83/219036383.db2.gz NKWHLWKUSHPPLO-OOPCZODUSA-N 2 1 305.372 3.409 20 0 DGADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000294652125 224144215 /nfs/dbraw/zinc/14/42/15/224144215.db2.gz QRDBXYFTFDFRNC-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750143 296386761 /nfs/dbraw/zinc/38/67/61/296386761.db2.gz ABUHWOSIZVJHAN-YDZRNGNQSA-N 2 1 321.553 3.397 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750143 296386762 /nfs/dbraw/zinc/38/67/62/296386762.db2.gz ABUHWOSIZVJHAN-YDZRNGNQSA-N 2 1 321.553 3.397 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC3(C)C)c2)CCO1 ZINC000342734472 254039701 /nfs/dbraw/zinc/03/97/01/254039701.db2.gz NWCQLXGJMNIVPS-MAUKXSAKSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC3(C)C)c2)CCO1 ZINC000342734472 254039704 /nfs/dbraw/zinc/03/97/04/254039704.db2.gz NWCQLXGJMNIVPS-MAUKXSAKSA-N 2 1 302.462 3.186 20 0 DGADMP CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000342856030 254066919 /nfs/dbraw/zinc/06/69/19/254066919.db2.gz BEDJLTQIJJDYBU-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000342856030 254066920 /nfs/dbraw/zinc/06/69/20/254066920.db2.gz BEDJLTQIJJDYBU-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000157376733 197182829 /nfs/dbraw/zinc/18/28/29/197182829.db2.gz SGCRVQJXIGDLRC-GOSISDBHSA-N 2 1 300.446 3.072 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000157376733 197182830 /nfs/dbraw/zinc/18/28/30/197182830.db2.gz SGCRVQJXIGDLRC-GOSISDBHSA-N 2 1 300.446 3.072 20 0 DGADMP CCCCc1nc2ccc(NC(=O)C[N@H+](CC)C3CC3)cc2[nH]1 ZINC000343313017 254126251 /nfs/dbraw/zinc/12/62/51/254126251.db2.gz GKXDQURYLHQNBG-UHFFFAOYSA-N 2 1 314.433 3.328 20 0 DGADMP CCCCc1nc2ccc(NC(=O)C[N@@H+](CC)C3CC3)cc2[nH]1 ZINC000343313017 254126254 /nfs/dbraw/zinc/12/62/54/254126254.db2.gz GKXDQURYLHQNBG-UHFFFAOYSA-N 2 1 314.433 3.328 20 0 DGADMP FC(F)C1CC[NH+](CCC[NH+]2CCC(C(F)F)CC2)CC1 ZINC000343777564 254187325 /nfs/dbraw/zinc/18/73/25/254187325.db2.gz NHNGIZPXFRYMAM-UHFFFAOYSA-N 2 1 310.379 3.331 20 0 DGADMP Cc1cc2[nH]c(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc2c(C)c1 ZINC000344065322 254220088 /nfs/dbraw/zinc/22/00/88/254220088.db2.gz OTJPRLIXABJOAL-OAHLLOKOSA-N 2 1 308.429 3.333 20 0 DGADMP COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623073 254290269 /nfs/dbraw/zinc/29/02/69/254290269.db2.gz HPOBBDMVDJOGQH-DOTOQJQBSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623073 254290272 /nfs/dbraw/zinc/29/02/72/254290272.db2.gz HPOBBDMVDJOGQH-DOTOQJQBSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623073 254290273 /nfs/dbraw/zinc/29/02/73/254290273.db2.gz HPOBBDMVDJOGQH-DOTOQJQBSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC(C)C ZINC000344623073 254290275 /nfs/dbraw/zinc/29/02/75/254290275.db2.gz HPOBBDMVDJOGQH-DOTOQJQBSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000344370029 254263269 /nfs/dbraw/zinc/26/32/69/254263269.db2.gz MISLDFGMIVIFAP-SQGPQFPESA-N 2 1 315.505 3.142 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000344611835 254288302 /nfs/dbraw/zinc/28/83/02/254288302.db2.gz BVTDFRUHMPDXSA-ZBFHGGJFSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000344611835 254288303 /nfs/dbraw/zinc/28/83/03/254288303.db2.gz BVTDFRUHMPDXSA-ZBFHGGJFSA-N 2 1 306.450 3.056 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(O)c1 ZINC000344802821 254306820 /nfs/dbraw/zinc/30/68/20/254306820.db2.gz FNEYEKMLPGUWTD-IRXDYDNUSA-N 2 1 320.477 3.391 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(COC)o1 ZINC000344814511 254308212 /nfs/dbraw/zinc/30/82/12/254308212.db2.gz JVNDNZSXDAYUGL-QAPCUYQASA-N 2 1 308.466 3.416 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OCC ZINC000345209393 254340929 /nfs/dbraw/zinc/34/09/29/254340929.db2.gz DMEWDGIPMKXQFH-GJZGRUSLSA-N 2 1 308.466 3.475 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208985 197095872 /nfs/dbraw/zinc/09/58/72/197095872.db2.gz OGOLPJBPXRRHQH-FTEYMNFISA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208985 197095873 /nfs/dbraw/zinc/09/58/73/197095873.db2.gz OGOLPJBPXRRHQH-FTEYMNFISA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156208985 197095875 /nfs/dbraw/zinc/09/58/75/197095875.db2.gz OGOLPJBPXRRHQH-FTEYMNFISA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156208985 197095877 /nfs/dbraw/zinc/09/58/77/197095877.db2.gz OGOLPJBPXRRHQH-FTEYMNFISA-N 3 1 317.521 3.215 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156208985 197095879 /nfs/dbraw/zinc/09/58/79/197095879.db2.gz OGOLPJBPXRRHQH-FTEYMNFISA-N 3 1 317.521 3.215 20 0 DGADMP c1c[nH]c([C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CCCCC2)n1 ZINC000287323726 285240192 /nfs/dbraw/zinc/24/01/92/285240192.db2.gz FQMVRNOYEGUSOV-PBHICJAKSA-N 2 1 313.449 3.080 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000294779256 224216392 /nfs/dbraw/zinc/21/63/92/224216392.db2.gz KBDUVPFNJAYXKJ-GOSISDBHSA-N 2 1 301.478 3.334 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000294779256 224216394 /nfs/dbraw/zinc/21/63/94/224216394.db2.gz KBDUVPFNJAYXKJ-GOSISDBHSA-N 2 1 301.478 3.334 20 0 DGADMP C[C@H](CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000289500713 221021918 /nfs/dbraw/zinc/02/19/18/221021918.db2.gz SVUFRVYDUFAIMD-GOSISDBHSA-N 2 1 317.521 3.138 20 0 DGADMP Cc1ncc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1-c1ccccc1 ZINC000289780669 221221268 /nfs/dbraw/zinc/22/12/68/221221268.db2.gz RPLSHYMERSLBRN-DFNIBXOVSA-N 2 1 324.472 3.238 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1O ZINC000289794708 221230766 /nfs/dbraw/zinc/23/07/66/221230766.db2.gz ONRQZSRLWYEENK-HUUCEWRRSA-N 2 1 306.450 3.173 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1O ZINC000289794710 221231403 /nfs/dbraw/zinc/23/14/03/221231403.db2.gz ONRQZSRLWYEENK-LSDHHAIUSA-N 2 1 306.450 3.173 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1O ZINC000289794705 221232060 /nfs/dbraw/zinc/23/20/60/221232060.db2.gz ONRQZSRLWYEENK-CABCVRRESA-N 2 1 306.450 3.173 20 0 DGADMP O[C@@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000289854530 221271775 /nfs/dbraw/zinc/27/17/75/221271775.db2.gz KWZDIMORLHTVDI-RLLQIKCJSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000289854530 221271779 /nfs/dbraw/zinc/27/17/79/221271779.db2.gz KWZDIMORLHTVDI-RLLQIKCJSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000289854530 221271780 /nfs/dbraw/zinc/27/17/80/221271780.db2.gz KWZDIMORLHTVDI-RLLQIKCJSA-N 2 1 314.473 3.059 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000289878060 221286911 /nfs/dbraw/zinc/28/69/11/221286911.db2.gz SLKIKZLBGQWECG-GJZGRUSLSA-N 2 1 306.450 3.172 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000289878060 221286914 /nfs/dbraw/zinc/28/69/14/221286914.db2.gz SLKIKZLBGQWECG-GJZGRUSLSA-N 2 1 306.450 3.172 20 0 DGADMP CCCn1nc(C)c(C[N@@H+](CCC[NH3+])CC2CCCC2)c1C ZINC000352540005 285355340 /nfs/dbraw/zinc/35/53/40/285355340.db2.gz GAXUIRZPMPSXRA-UHFFFAOYSA-N 2 1 306.498 3.251 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352540007 285355523 /nfs/dbraw/zinc/35/55/23/285355523.db2.gz GBCMEWNARNERSY-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352540007 285355525 /nfs/dbraw/zinc/35/55/25/285355525.db2.gz GBCMEWNARNERSY-OAHLLOKOSA-N 2 1 314.351 3.161 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000121046322 195286570 /nfs/dbraw/zinc/28/65/70/195286570.db2.gz SZKUXAPIXPKCJB-UZLBHIALSA-N 2 1 314.473 3.090 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000121552682 195306242 /nfs/dbraw/zinc/30/62/42/195306242.db2.gz NCEKYJXZSHDCLV-ZWKOTPCHSA-N 2 1 300.446 3.192 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000121552682 195306244 /nfs/dbraw/zinc/30/62/44/195306244.db2.gz NCEKYJXZSHDCLV-ZWKOTPCHSA-N 2 1 300.446 3.192 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292893953 533339095 /nfs/dbraw/zinc/33/90/95/533339095.db2.gz ZHSQDIDVMZXTNY-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2ccccc2c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292893953 533339099 /nfs/dbraw/zinc/33/90/99/533339099.db2.gz ZHSQDIDVMZXTNY-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2ccccc2c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292893953 533339102 /nfs/dbraw/zinc/33/91/02/533339102.db2.gz ZHSQDIDVMZXTNY-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP C[C@@H](CCO)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000297321111 533622155 /nfs/dbraw/zinc/62/21/55/533622155.db2.gz NIOOYMSUIFSXEG-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975134 400085738 /nfs/dbraw/zinc/08/57/38/400085738.db2.gz CFNXDWHKCALNTH-AXRJEEMOSA-N 2 1 324.509 3.205 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc(C)[nH+]1 ZINC000091476026 400121679 /nfs/dbraw/zinc/12/16/79/400121679.db2.gz YNEWULXBRSAREM-KRWDZBQOSA-N 2 1 302.466 3.042 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314705186 400140414 /nfs/dbraw/zinc/14/04/14/400140414.db2.gz BDQKCPCWWLIIFS-WMZOPIPTSA-N 2 1 304.478 3.336 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000588688196 400223987 /nfs/dbraw/zinc/22/39/87/400223987.db2.gz QTEJSRLMCJLIEP-NHCUHLMSSA-N 2 1 324.468 3.220 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000588688196 400223992 /nfs/dbraw/zinc/22/39/92/400223992.db2.gz QTEJSRLMCJLIEP-NHCUHLMSSA-N 2 1 324.468 3.220 20 0 DGADMP CC[NH+](CC)CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000068084656 400230663 /nfs/dbraw/zinc/23/06/63/400230663.db2.gz OTKLEUSJJKXMLS-INIZCTEOSA-N 2 1 317.477 3.199 20 0 DGADMP c1cc2c(nc[nH+]c2N2CCC(C[NH+]3CCCCCC3)CC2)[nH]1 ZINC000588896854 400239999 /nfs/dbraw/zinc/23/99/99/400239999.db2.gz UVEOXQIWKCLYLC-UHFFFAOYSA-N 2 1 313.449 3.050 20 0 DGADMP CN(c1ccccc1C[N@H+]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000093339884 400241079 /nfs/dbraw/zinc/24/10/79/400241079.db2.gz QQLNOLGKQOJIRT-UHFFFAOYSA-N 2 1 315.505 3.449 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000400684818 400290251 /nfs/dbraw/zinc/29/02/51/400290251.db2.gz XFFXHWPCFRHTNP-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000400684818 400290255 /nfs/dbraw/zinc/29/02/55/400290255.db2.gz XFFXHWPCFRHTNP-RTBURBONSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccoc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844385 400258265 /nfs/dbraw/zinc/25/82/65/400258265.db2.gz IXUZVUFUZYXYCG-CALCHBBNSA-N 2 1 320.477 3.299 20 0 DGADMP C[N@@H+](CCN1CC[NH+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000112697740 400375663 /nfs/dbraw/zinc/37/56/63/400375663.db2.gz BLSAZVNJIMUBDJ-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CC1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000122814780 400463798 /nfs/dbraw/zinc/46/37/98/400463798.db2.gz YSFYFXMEPDKEIN-UHFFFAOYSA-N 2 1 302.462 3.187 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000125567879 400483421 /nfs/dbraw/zinc/48/34/21/400483421.db2.gz HIGVLUIFRDSONT-SFHVURJKSA-N 3 1 321.553 3.495 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000597057148 400547853 /nfs/dbraw/zinc/54/78/53/400547853.db2.gz LNFPXQXYRUVXRZ-MRXNPFEDSA-N 2 1 324.440 3.068 20 0 DGADMP c1csc(-c2cc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)no2)c1 ZINC000591867665 400568332 /nfs/dbraw/zinc/56/83/32/400568332.db2.gz QRGMXVRAPSWSOU-CQSZACIVSA-N 2 1 314.414 3.437 20 0 DGADMP c1csc(-c2cc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)no2)c1 ZINC000591867665 400568336 /nfs/dbraw/zinc/56/83/36/400568336.db2.gz QRGMXVRAPSWSOU-CQSZACIVSA-N 2 1 314.414 3.437 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000076398385 400651879 /nfs/dbraw/zinc/65/18/79/400651879.db2.gz MIRLRMMIIQXPPT-AWEZNQCLSA-N 2 1 316.367 3.405 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150838461 400666876 /nfs/dbraw/zinc/66/68/76/400666876.db2.gz VDWBHCWEIUVJNL-SFHVURJKSA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150838461 400666878 /nfs/dbraw/zinc/66/68/78/400666878.db2.gz VDWBHCWEIUVJNL-SFHVURJKSA-N 2 1 302.462 3.046 20 0 DGADMP Clc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150861887 400667338 /nfs/dbraw/zinc/66/73/38/400667338.db2.gz UDWOWLJQJNOBHS-HNNXBMFYSA-N 2 1 308.853 3.137 20 0 DGADMP Clc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150861887 400667345 /nfs/dbraw/zinc/66/73/45/400667345.db2.gz UDWOWLJQJNOBHS-HNNXBMFYSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593095453 400761641 /nfs/dbraw/zinc/76/16/41/400761641.db2.gz MLARZDKVOMYBFZ-HZPDHXFCSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593095453 400761647 /nfs/dbraw/zinc/76/16/47/400761647.db2.gz MLARZDKVOMYBFZ-HZPDHXFCSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593095453 400761651 /nfs/dbraw/zinc/76/16/51/400761651.db2.gz MLARZDKVOMYBFZ-HZPDHXFCSA-N 2 1 310.482 3.057 20 0 DGADMP CCCC1CCC(C[NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000093067218 545852080 /nfs/dbraw/zinc/85/20/80/545852080.db2.gz NHJKTPOXPUXSFV-UHFFFAOYSA-N 2 1 309.542 3.210 20 0 DGADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CO2 ZINC000629512431 400950564 /nfs/dbraw/zinc/95/05/64/400950564.db2.gz ABWMLWMEETVHEH-CMKODMSKSA-N 2 1 322.452 3.381 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000598975308 400918097 /nfs/dbraw/zinc/91/80/97/400918097.db2.gz WEMHKSSGOVBMTI-UYSNPLJNSA-N 2 1 324.509 3.349 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC(O)CC1 ZINC000080170208 400928873 /nfs/dbraw/zinc/92/88/73/400928873.db2.gz FRFQOOHOKAVKNB-UHFFFAOYSA-N 2 1 304.478 3.038 20 0 DGADMP COC(=O)CC1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000599024007 400930967 /nfs/dbraw/zinc/93/09/67/400930967.db2.gz FJOAUUIJEUTPQL-WWDZGPRUSA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000599041074 400935603 /nfs/dbraw/zinc/93/56/03/400935603.db2.gz JTJBTPBZWKHPID-ADKAHSJRSA-N 2 1 324.509 3.066 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)CC1 ZINC000620863627 400999733 /nfs/dbraw/zinc/99/97/33/400999733.db2.gz QHKNJKAFSXKRNY-SFHVURJKSA-N 2 1 323.912 3.407 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000629532992 400963340 /nfs/dbraw/zinc/96/33/40/400963340.db2.gz CDSJGWYCBLCGGO-ROUUACIJSA-N 2 1 309.457 3.365 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629652460 401017709 /nfs/dbraw/zinc/01/77/09/401017709.db2.gz BUFHHDDTQUADAA-PMACEKPBSA-N 2 1 314.473 3.005 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629560028 400975037 /nfs/dbraw/zinc/97/50/37/400975037.db2.gz CHIUQMSQVLUGED-LSDHHAIUSA-N 2 1 300.368 3.263 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629560028 400975044 /nfs/dbraw/zinc/97/50/44/400975044.db2.gz CHIUQMSQVLUGED-LSDHHAIUSA-N 2 1 300.368 3.263 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1C(F)(F)F ZINC000629562438 400977024 /nfs/dbraw/zinc/97/70/24/400977024.db2.gz NBHSLISCDJOPQH-JKSUJKDBSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1C(F)(F)F ZINC000629562438 400977026 /nfs/dbraw/zinc/97/70/26/400977026.db2.gz NBHSLISCDJOPQH-JKSUJKDBSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@H]1C(F)(F)F ZINC000629563298 400978330 /nfs/dbraw/zinc/97/83/30/400978330.db2.gz OZRAPQMSKQKSJW-UKRRQHHQSA-N 2 1 318.358 3.217 20 0 DGADMP Cc1ncc(C[NH2+]CCC[NH+]2CCCCC2)n1-c1ccccc1 ZINC000081292523 401049869 /nfs/dbraw/zinc/04/98/69/401049869.db2.gz ADOCWYQDJXAGDI-UHFFFAOYSA-N 2 1 312.461 3.146 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629657367 401022202 /nfs/dbraw/zinc/02/22/02/401022202.db2.gz WZFLKLHBNQHAGZ-BXUZGUMPSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629657367 401022209 /nfs/dbraw/zinc/02/22/09/401022209.db2.gz WZFLKLHBNQHAGZ-BXUZGUMPSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656590 401022806 /nfs/dbraw/zinc/02/28/06/401022806.db2.gz PKPWYXYCOOZTNR-DZGCQCFKSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656590 401022813 /nfs/dbraw/zinc/02/28/13/401022813.db2.gz PKPWYXYCOOZTNR-DZGCQCFKSA-N 2 1 323.362 3.194 20 0 DGADMP CC(C)(C)c1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000358231804 286005548 /nfs/dbraw/zinc/00/55/48/286005548.db2.gz BMRZUEKKZKFOAB-ZFWWWQNUSA-N 2 1 307.507 3.200 20 0 DGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223202 286002087 /nfs/dbraw/zinc/00/20/87/286002087.db2.gz AGDZHJGCNAUMTR-LEWJYISDSA-N 2 1 324.468 3.017 20 0 DGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223202 286002090 /nfs/dbraw/zinc/00/20/90/286002090.db2.gz AGDZHJGCNAUMTR-LEWJYISDSA-N 2 1 324.468 3.017 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000294864101 286016640 /nfs/dbraw/zinc/01/66/40/286016640.db2.gz DFHPDRCHMDNEMK-VQTJNVASSA-N 2 1 316.489 3.194 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000621373805 401190766 /nfs/dbraw/zinc/19/07/66/401190766.db2.gz OPUMYFGYXMIHNA-PXNSSMCTSA-N 2 1 316.489 3.123 20 0 DGADMP COC(=O)c1sccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000088505898 401201329 /nfs/dbraw/zinc/20/13/29/401201329.db2.gz IRJOCXBAVRMMEV-UHFFFAOYSA-N 2 1 324.490 3.087 20 0 DGADMP COC(=O)c1sccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000088505898 401201335 /nfs/dbraw/zinc/20/13/35/401201335.db2.gz IRJOCXBAVRMMEV-UHFFFAOYSA-N 2 1 324.490 3.087 20 0 DGADMP Clc1ccc(COCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090806101 401273978 /nfs/dbraw/zinc/27/39/78/401273978.db2.gz QICOUNHXTYGMBX-DLBZAZTESA-N 2 1 308.853 3.073 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1cccs1 ZINC000631080133 401387099 /nfs/dbraw/zinc/38/70/99/401387099.db2.gz OBQQBILZBNUKGI-RHSMWYFYSA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1cccs1 ZINC000631080133 401387100 /nfs/dbraw/zinc/38/71/00/401387100.db2.gz OBQQBILZBNUKGI-RHSMWYFYSA-N 2 1 317.458 3.021 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634953017 401387288 /nfs/dbraw/zinc/38/72/88/401387288.db2.gz OODULOWHXPWXEL-MRXNPFEDSA-N 2 1 312.461 3.374 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000631097406 401392140 /nfs/dbraw/zinc/39/21/40/401392140.db2.gz ADXLJXALKMILBW-GOSISDBHSA-N 2 1 317.477 3.103 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000631097406 401392142 /nfs/dbraw/zinc/39/21/42/401392142.db2.gz ADXLJXALKMILBW-GOSISDBHSA-N 2 1 317.477 3.103 20 0 DGADMP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)n2)cc1 ZINC000634995503 401397972 /nfs/dbraw/zinc/39/79/72/401397972.db2.gz GZMTUWDRUGHLKA-QGZVFWFLSA-N 2 1 322.456 3.095 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nc2ccccc2n1C ZINC000635010004 401402807 /nfs/dbraw/zinc/40/28/07/401402807.db2.gz IPUSDIVOUPODQZ-ZIAGYGMSSA-N 2 1 300.450 3.002 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631192955 401421993 /nfs/dbraw/zinc/42/19/93/401421993.db2.gz BLMUNFVXPAOXJJ-PXNSSMCTSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncs1 ZINC000631196276 401423650 /nfs/dbraw/zinc/42/36/50/401423650.db2.gz PSLCURWQXQTOMT-GOEBONIOSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncs1 ZINC000631196276 401423652 /nfs/dbraw/zinc/42/36/52/401423652.db2.gz PSLCURWQXQTOMT-GOEBONIOSA-N 2 1 301.459 3.001 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196372 401423985 /nfs/dbraw/zinc/42/39/85/401423985.db2.gz QODZPNXSAYDRKG-SJLPKXTDSA-N 2 1 304.478 3.017 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631567373 401499394 /nfs/dbraw/zinc/49/93/94/401499394.db2.gz YSRDKQBLPQJSAE-YOEHRIQHSA-N 2 1 318.461 3.229 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000631578600 401503973 /nfs/dbraw/zinc/50/39/73/401503973.db2.gz XBTINYPEPRETGK-KXBFYZLASA-N 2 1 302.462 3.393 20 0 DGADMP Cc1cc(NC(=O)Cn2cc[nH+]c2C(C)C)ccc1C[NH+](C)C ZINC000636022357 401520117 /nfs/dbraw/zinc/52/01/17/401520117.db2.gz YJOGDFMWFPSOAY-UHFFFAOYSA-N 2 1 314.433 3.015 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000631636963 401520978 /nfs/dbraw/zinc/52/09/78/401520978.db2.gz JBOOKZBIQALVIW-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631646718 401523358 /nfs/dbraw/zinc/52/33/58/401523358.db2.gz BLKATCWFYQWXBS-OXJNMPFZSA-N 2 1 314.473 3.394 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000631654592 401525429 /nfs/dbraw/zinc/52/54/29/401525429.db2.gz NKXRFGNPZXBXQN-DXEWXGHRSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000631654592 401525431 /nfs/dbraw/zinc/52/54/31/401525431.db2.gz NKXRFGNPZXBXQN-DXEWXGHRSA-N 2 1 308.853 3.242 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000631665789 401529243 /nfs/dbraw/zinc/52/92/43/401529243.db2.gz XXFMUKVREJFHQX-NBYUQASBSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631664174 401529422 /nfs/dbraw/zinc/52/94/22/401529422.db2.gz MJZYHVYIAXJANZ-RVKKMQEKSA-N 2 1 312.461 3.137 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000631666978 401530129 /nfs/dbraw/zinc/53/01/29/401530129.db2.gz JKPCHBCTVTURGI-WMLDXEAASA-N 2 1 301.434 3.382 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631671169 401531969 /nfs/dbraw/zinc/53/19/69/401531969.db2.gz YWHFMLLKTAIEAJ-HAGHYFMRSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000635740741 401479545 /nfs/dbraw/zinc/47/95/45/401479545.db2.gz QGNAWTJXPAUINR-UHFFFAOYSA-N 2 1 314.433 3.015 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000623655843 401562550 /nfs/dbraw/zinc/56/25/50/401562550.db2.gz HBWMZTNHFZEFRF-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000623655843 401562551 /nfs/dbraw/zinc/56/25/51/401562551.db2.gz HBWMZTNHFZEFRF-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000623654653 401562608 /nfs/dbraw/zinc/56/26/08/401562608.db2.gz FLTRRBXMSNUMCS-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000623657550 401563033 /nfs/dbraw/zinc/56/30/33/401563033.db2.gz UEONOGZHJUFFSD-ZDUSSCGKSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000623657550 401563036 /nfs/dbraw/zinc/56/30/36/401563036.db2.gz UEONOGZHJUFFSD-ZDUSSCGKSA-N 2 1 316.367 3.249 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000623656623 401563051 /nfs/dbraw/zinc/56/30/51/401563051.db2.gz YNAQVPKRZIRZCZ-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623656623 401563052 /nfs/dbraw/zinc/56/30/52/401563052.db2.gz YNAQVPKRZIRZCZ-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656623 401563055 /nfs/dbraw/zinc/56/30/55/401563055.db2.gz YNAQVPKRZIRZCZ-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623656623 401563057 /nfs/dbraw/zinc/56/30/57/401563057.db2.gz YNAQVPKRZIRZCZ-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656623 401563060 /nfs/dbraw/zinc/56/30/60/401563060.db2.gz YNAQVPKRZIRZCZ-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cc2c1 ZINC000623656848 401563713 /nfs/dbraw/zinc/56/37/13/401563713.db2.gz DFCQPLJLXNVTDZ-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cc2c1 ZINC000623656848 401563715 /nfs/dbraw/zinc/56/37/15/401563715.db2.gz DFCQPLJLXNVTDZ-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000358476930 286072321 /nfs/dbraw/zinc/07/23/21/286072321.db2.gz ZIPKKWUJTWVTDK-KEYYUXOJSA-N 2 1 316.493 3.397 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000358476930 286072322 /nfs/dbraw/zinc/07/23/22/286072322.db2.gz ZIPKKWUJTWVTDK-KEYYUXOJSA-N 2 1 316.493 3.397 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628202336 401549639 /nfs/dbraw/zinc/54/96/39/401549639.db2.gz PJBGZWMVKARGCI-IBGZPJMESA-N 2 1 317.521 3.106 20 0 DGADMP Cc1ccc([C@@H](C)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000628213761 401551574 /nfs/dbraw/zinc/55/15/74/401551574.db2.gz WZDUDTVAXWADFL-SFHVURJKSA-N 2 1 316.489 3.333 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628214607 401552485 /nfs/dbraw/zinc/55/24/85/401552485.db2.gz FGXDHCBYQNSBTJ-AWEZNQCLSA-N 2 1 300.368 3.179 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121205 401628444 /nfs/dbraw/zinc/62/84/44/401628444.db2.gz QAYZTDOGEIMXMR-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624121205 401628446 /nfs/dbraw/zinc/62/84/46/401628446.db2.gz QAYZTDOGEIMXMR-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121205 401628448 /nfs/dbraw/zinc/62/84/48/401628448.db2.gz QAYZTDOGEIMXMR-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121953 401628969 /nfs/dbraw/zinc/62/89/69/401628969.db2.gz GMECHBSRBYEXDX-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124112 401629527 /nfs/dbraw/zinc/62/95/27/401629527.db2.gz XRNWBQYUQWKJEI-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000624124112 401629530 /nfs/dbraw/zinc/62/95/30/401629530.db2.gz XRNWBQYUQWKJEI-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000358576583 286097601 /nfs/dbraw/zinc/09/76/01/286097601.db2.gz ULUPFGWKIUYZFJ-BTHPGYMESA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358717044 286132015 /nfs/dbraw/zinc/13/20/15/286132015.db2.gz PQECUGMDNUNSCF-NZSAHSFTSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358717044 286132016 /nfs/dbraw/zinc/13/20/16/286132016.db2.gz PQECUGMDNUNSCF-NZSAHSFTSA-N 2 1 304.478 3.036 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000358913701 286185736 /nfs/dbraw/zinc/18/57/36/286185736.db2.gz FIRRVWVBMNOGSS-QGZVFWFLSA-N 2 1 317.408 3.159 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000358913701 286185738 /nfs/dbraw/zinc/18/57/38/286185738.db2.gz FIRRVWVBMNOGSS-QGZVFWFLSA-N 2 1 317.408 3.159 20 0 DGADMP c1ccc(C[N@@H+](CCC2CC[NH2+]CC2)CC2CCOCC2)cc1 ZINC000359208939 286261486 /nfs/dbraw/zinc/26/14/86/286261486.db2.gz AYCVVMUTNVOYSN-UHFFFAOYSA-N 2 1 316.489 3.305 20 0 DGADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125003447 292256212 /nfs/dbraw/zinc/25/62/12/292256212.db2.gz KWUMMWNDJHKFOF-IHPCNDPISA-N 2 1 315.505 3.062 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000247108541 292255337 /nfs/dbraw/zinc/25/53/37/292255337.db2.gz SUTFCEIECJOIKY-SXLOBPIMSA-N 2 1 315.505 3.204 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000423322270 286363175 /nfs/dbraw/zinc/36/31/75/286363175.db2.gz GJECLVOJVBBFBX-RYQLBKOJSA-N 2 1 302.462 3.309 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)n1 ZINC000359735497 286370510 /nfs/dbraw/zinc/37/05/10/286370510.db2.gz MEUVPITYJJSTAY-WBVHZDCISA-N 2 1 305.466 3.080 20 0 DGADMP CC(C)C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000361401709 286668099 /nfs/dbraw/zinc/66/80/99/286668099.db2.gz ZOKBDYZSKXDEKH-GOSISDBHSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000185637056 165011464 /nfs/dbraw/zinc/01/14/64/165011464.db2.gz KGFGUYXBQZFCBD-OWQGQXMQSA-N 2 1 315.461 3.134 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)CCC3CC3)CC2)nc(C)[nH+]1 ZINC000186375392 165041664 /nfs/dbraw/zinc/04/16/64/165041664.db2.gz ZQBNNMPIKHYFDS-CYBMUJFWSA-N 2 1 302.466 3.231 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192693599 165301836 /nfs/dbraw/zinc/30/18/36/165301836.db2.gz INIAQCCPEIGRDM-IHWFROFDSA-N 3 1 315.505 3.243 20 0 DGADMP CC[NH+](CC)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192693599 165301842 /nfs/dbraw/zinc/30/18/42/165301842.db2.gz INIAQCCPEIGRDM-IHWFROFDSA-N 2 1 315.505 3.243 20 0 DGADMP CC[NH+](CC)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192693599 165301847 /nfs/dbraw/zinc/30/18/47/165301847.db2.gz INIAQCCPEIGRDM-IHWFROFDSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192924294 165309397 /nfs/dbraw/zinc/30/93/97/165309397.db2.gz SZIVVRCPTZXKJN-VOBGVNJCSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000192924294 165309399 /nfs/dbraw/zinc/30/93/99/165309399.db2.gz SZIVVRCPTZXKJN-VOBGVNJCSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000192924294 165309402 /nfs/dbraw/zinc/30/94/02/165309402.db2.gz SZIVVRCPTZXKJN-VOBGVNJCSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192924294 165309403 /nfs/dbraw/zinc/30/94/03/165309403.db2.gz SZIVVRCPTZXKJN-VOBGVNJCSA-N 3 1 315.505 3.112 20 0 DGADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192924294 165309405 /nfs/dbraw/zinc/30/94/05/165309405.db2.gz SZIVVRCPTZXKJN-VOBGVNJCSA-N 3 1 315.505 3.112 20 0 DGADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000192924294 165309406 /nfs/dbraw/zinc/30/94/06/165309406.db2.gz SZIVVRCPTZXKJN-VOBGVNJCSA-N 3 1 315.505 3.112 20 0 DGADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000192924294 165309408 /nfs/dbraw/zinc/30/94/08/165309408.db2.gz SZIVVRCPTZXKJN-VOBGVNJCSA-N 3 1 315.505 3.112 20 0 DGADMP COc1ccc([C@H](C)CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192900489 165310109 /nfs/dbraw/zinc/31/01/09/165310109.db2.gz WYIGHFRXLYRQGZ-CCNLRDMRSA-N 2 1 302.462 3.404 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000216066062 165375819 /nfs/dbraw/zinc/37/58/19/165375819.db2.gz PMFIHDIJPMIMGQ-JQWIXIFHSA-N 2 1 304.381 3.468 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000365401643 287128318 /nfs/dbraw/zinc/12/83/18/287128318.db2.gz FVPADJSRNNBXQU-QGZVFWFLSA-N 2 1 301.409 3.290 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000365401643 287128319 /nfs/dbraw/zinc/12/83/19/287128319.db2.gz FVPADJSRNNBXQU-QGZVFWFLSA-N 2 1 301.409 3.290 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261760376 165745201 /nfs/dbraw/zinc/74/52/01/165745201.db2.gz UWPQYGRJYMIBHM-CHWSQXEVSA-N 2 1 316.392 3.340 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261760376 165745204 /nfs/dbraw/zinc/74/52/04/165745204.db2.gz UWPQYGRJYMIBHM-CHWSQXEVSA-N 2 1 316.392 3.340 20 0 DGADMP Cc1oncc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000128924005 196004300 /nfs/dbraw/zinc/00/43/00/196004300.db2.gz OZYRITICPUZYIG-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000129139097 196022372 /nfs/dbraw/zinc/02/23/72/196022372.db2.gz FCNKRRIOPSLHJY-QMTHXVAHSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000129139097 196022374 /nfs/dbraw/zinc/02/23/74/196022374.db2.gz FCNKRRIOPSLHJY-QMTHXVAHSA-N 2 1 315.230 3.161 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000269029097 432151009 /nfs/dbraw/zinc/15/10/09/432151009.db2.gz RGFIYZOEAPOMIM-ZIAGYGMSSA-N 2 1 318.440 3.311 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000136313839 432151434 /nfs/dbraw/zinc/15/14/34/432151434.db2.gz WXPCAWZJUJWYSM-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000136313839 432151440 /nfs/dbraw/zinc/15/14/40/432151440.db2.gz WXPCAWZJUJWYSM-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP C[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C)CC3)COC2)CC1 ZINC000182093061 432159244 /nfs/dbraw/zinc/15/92/44/432159244.db2.gz GLQMXRKZBRMOTH-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246847175 432171861 /nfs/dbraw/zinc/17/18/61/432171861.db2.gz CJRVRWIJQJHWCA-SZMVWBNQSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246847175 432171864 /nfs/dbraw/zinc/17/18/64/432171864.db2.gz CJRVRWIJQJHWCA-SZMVWBNQSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000246847175 432171868 /nfs/dbraw/zinc/17/18/68/432171868.db2.gz CJRVRWIJQJHWCA-SZMVWBNQSA-N 2 1 323.550 3.451 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246834549 432170594 /nfs/dbraw/zinc/17/05/94/432170594.db2.gz BUNNPTSHLJKLSM-QFBILLFUSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000246834549 432170596 /nfs/dbraw/zinc/17/05/96/432170596.db2.gz BUNNPTSHLJKLSM-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246834549 432170598 /nfs/dbraw/zinc/17/05/98/432170598.db2.gz BUNNPTSHLJKLSM-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246834549 432170602 /nfs/dbraw/zinc/17/06/02/432170602.db2.gz BUNNPTSHLJKLSM-QFBILLFUSA-N 2 1 303.494 3.101 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000182245777 432170958 /nfs/dbraw/zinc/17/09/58/432170958.db2.gz HSLPSQYVNPFPQC-OXJNMPFZSA-N 2 1 316.489 3.312 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@@H](C)C1 ZINC000247015728 432192591 /nfs/dbraw/zinc/19/25/91/432192591.db2.gz KOQYRUBCVSZFCF-DZGCQCFKSA-N 2 1 312.404 3.416 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@@H](C)C1 ZINC000246959963 432185174 /nfs/dbraw/zinc/18/51/74/432185174.db2.gz HUTMRYPJDYXSOM-YOEHRIQHSA-N 2 1 313.445 3.063 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC(F)F)[C@@H](C)C1 ZINC000247015728 432192587 /nfs/dbraw/zinc/19/25/87/432192587.db2.gz KOQYRUBCVSZFCF-DZGCQCFKSA-N 2 1 312.404 3.416 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000138515975 432182687 /nfs/dbraw/zinc/18/26/87/432182687.db2.gz WTAWZRCCVUQVCE-DLBZAZTESA-N 2 1 312.461 3.087 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000247042333 432196895 /nfs/dbraw/zinc/19/68/95/432196895.db2.gz WHDXHHBRCDTUPU-RCCFBDPRSA-N 2 1 308.510 3.434 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000247115823 432203168 /nfs/dbraw/zinc/20/31/68/432203168.db2.gz UEKZZKIMMBKDLW-LSDHHAIUSA-N 2 1 321.534 3.274 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000131405902 196165655 /nfs/dbraw/zinc/16/56/55/196165655.db2.gz SRNRLBQDBHFOTG-CQSZACIVSA-N 2 1 317.477 3.299 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000247175580 432209820 /nfs/dbraw/zinc/20/98/20/432209820.db2.gz STSYMLNCZJZZSX-GZOSKZMVSA-N 2 1 308.441 3.301 20 0 DGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000131306601 196159253 /nfs/dbraw/zinc/15/92/53/196159253.db2.gz WVFSEPMMBQYMBK-CQSZACIVSA-N 2 1 310.401 3.016 20 0 DGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000131306601 196159254 /nfs/dbraw/zinc/15/92/54/196159254.db2.gz WVFSEPMMBQYMBK-CQSZACIVSA-N 2 1 310.401 3.016 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000247222007 432212405 /nfs/dbraw/zinc/21/24/05/432212405.db2.gz XQTALJUABJRQCN-FRYIKTPZSA-N 2 1 316.489 3.474 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)[C@H](C)C1 ZINC000247222014 432212679 /nfs/dbraw/zinc/21/26/79/432212679.db2.gz XQTALJUABJRQCN-GTAWCEEGSA-N 2 1 316.489 3.474 20 0 DGADMP CCC(CC)(CO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000269875693 432215804 /nfs/dbraw/zinc/21/58/04/432215804.db2.gz PITDQFKOVIOCKW-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000131400911 196165163 /nfs/dbraw/zinc/16/51/63/196165163.db2.gz RAZHCMKNHOTQOO-OAHLLOKOSA-N 2 1 319.449 3.026 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000131397213 196165194 /nfs/dbraw/zinc/16/51/94/196165194.db2.gz CFJHNWNFFNNOPA-KRWDZBQOSA-N 2 1 306.450 3.230 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000247140529 432205918 /nfs/dbraw/zinc/20/59/18/432205918.db2.gz QVPLLUYVOUWJER-ZOMKSWQUSA-N 2 1 310.869 3.426 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CCCO2 ZINC000132108321 196226717 /nfs/dbraw/zinc/22/67/17/196226717.db2.gz ZZTIIGCBLKOZFF-MRXNPFEDSA-N 2 1 306.450 3.086 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000134008115 196352920 /nfs/dbraw/zinc/35/29/20/196352920.db2.gz ZNILKXQKLYNDBH-QRQLOZEOSA-N 2 1 303.494 3.142 20 0 DGADMP COCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000291104545 222141412 /nfs/dbraw/zinc/14/14/12/222141412.db2.gz JRHGSFFGCJJHJW-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP COCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000291104545 222141416 /nfs/dbraw/zinc/14/14/16/222141416.db2.gz JRHGSFFGCJJHJW-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000291281315 222282653 /nfs/dbraw/zinc/28/26/53/222282653.db2.gz RFGNNHBKZWCXLU-FFZOFVMBSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000299618688 229269275 /nfs/dbraw/zinc/26/92/75/229269275.db2.gz KTOKXXKAEYDXTE-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP Cc1cccc([C@@H](CNc2cc[nH+]c(C)c2)[NH+]2CCOCC2)c1 ZINC000302212352 230168281 /nfs/dbraw/zinc/16/82/81/230168281.db2.gz DUIXQOXSTNWFLH-LJQANCHMSA-N 2 1 311.429 3.184 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000346427108 264030639 /nfs/dbraw/zinc/03/06/39/264030639.db2.gz DSFTUYZXOXRVDN-SGZDXZSOSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000346427108 264030641 /nfs/dbraw/zinc/03/06/41/264030641.db2.gz DSFTUYZXOXRVDN-SGZDXZSOSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000346622475 264067997 /nfs/dbraw/zinc/06/79/97/264067997.db2.gz LYWIJSWLVGYLBC-LJQANCHMSA-N 2 1 311.404 3.162 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000346622475 264067999 /nfs/dbraw/zinc/06/79/99/264067999.db2.gz LYWIJSWLVGYLBC-LJQANCHMSA-N 2 1 311.404 3.162 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346650594 264073277 /nfs/dbraw/zinc/07/32/77/264073277.db2.gz CUIIWFWKUPYXLX-KRWDZBQOSA-N 2 1 320.868 3.331 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346650594 264073279 /nfs/dbraw/zinc/07/32/79/264073279.db2.gz CUIIWFWKUPYXLX-KRWDZBQOSA-N 2 1 320.868 3.331 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000346670601 264077754 /nfs/dbraw/zinc/07/77/54/264077754.db2.gz GOVNBKYRIVZLKO-KRWDZBQOSA-N 2 1 306.498 3.273 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000346670601 264077756 /nfs/dbraw/zinc/07/77/56/264077756.db2.gz GOVNBKYRIVZLKO-KRWDZBQOSA-N 2 1 306.498 3.273 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346684914 264079568 /nfs/dbraw/zinc/07/95/68/264079568.db2.gz SAGRBAFROYCVDE-TZMCWYRMSA-N 2 1 318.852 3.003 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc4c3NCC4)C2)[nH+]1 ZINC000346831367 264105920 /nfs/dbraw/zinc/10/59/20/264105920.db2.gz KXUVJRGSOLFUQM-INIZCTEOSA-N 2 1 322.456 3.292 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc4c3NCC4)C2)[nH+]1 ZINC000346831367 264105924 /nfs/dbraw/zinc/10/59/24/264105924.db2.gz KXUVJRGSOLFUQM-INIZCTEOSA-N 2 1 322.456 3.292 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346852728 264108874 /nfs/dbraw/zinc/10/88/74/264108874.db2.gz LDRIIIIDDPHFID-ULQDDVLXSA-N 2 1 318.461 3.043 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346852724 264108954 /nfs/dbraw/zinc/10/89/54/264108954.db2.gz LDRIIIIDDPHFID-GVDBMIGSSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@H]21 ZINC000346850015 264109330 /nfs/dbraw/zinc/10/93/30/264109330.db2.gz HPOUHUXWRLEKLE-IACUBPJLSA-N 2 1 319.499 3.431 20 0 DGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC000346863770 264111284 /nfs/dbraw/zinc/11/12/84/264111284.db2.gz YHCOGLVSRVRMIH-BBWFWOEESA-N 2 1 318.461 3.042 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000346874791 264113661 /nfs/dbraw/zinc/11/36/61/264113661.db2.gz BROJQPIIDJMZIP-UHFFFAOYSA-N 2 1 312.498 3.161 20 0 DGADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CCC2)cc1 ZINC000346889144 264116234 /nfs/dbraw/zinc/11/62/34/264116234.db2.gz UEALLXMUSMAEFT-QAPCUYQASA-N 2 1 302.462 3.047 20 0 DGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000346985465 264133592 /nfs/dbraw/zinc/13/35/92/264133592.db2.gz OTAIFNHFPNBGIZ-LSDHHAIUSA-N 2 1 319.518 3.201 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cccc1OCC ZINC000347004490 264138067 /nfs/dbraw/zinc/13/80/67/264138067.db2.gz OJKDILARNREALC-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cccc1OCC ZINC000347004490 264138070 /nfs/dbraw/zinc/13/80/70/264138070.db2.gz OJKDILARNREALC-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347003902 264138088 /nfs/dbraw/zinc/13/80/88/264138088.db2.gz AAEDBBJHTWQUDW-SJKOYZFVSA-N 2 1 318.852 3.003 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347003902 264138091 /nfs/dbraw/zinc/13/80/91/264138091.db2.gz AAEDBBJHTWQUDW-SJKOYZFVSA-N 2 1 318.852 3.003 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(OCCC)c1 ZINC000347095779 264155610 /nfs/dbraw/zinc/15/56/10/264155610.db2.gz HRORCTJNQKRZLW-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(OCCC)c1 ZINC000347095779 264155613 /nfs/dbraw/zinc/15/56/13/264155613.db2.gz HRORCTJNQKRZLW-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000347097284 264155795 /nfs/dbraw/zinc/15/57/95/264155795.db2.gz IDCALSMADSHZFI-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000347097284 264155796 /nfs/dbraw/zinc/15/57/96/264155796.db2.gz IDCALSMADSHZFI-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000347101499 264156280 /nfs/dbraw/zinc/15/62/80/264156280.db2.gz KLNCBTORWRAFKZ-LLVKDONJSA-N 2 1 307.488 3.431 20 0 DGADMP c1ccc(CSCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000347106052 264157461 /nfs/dbraw/zinc/15/74/61/264157461.db2.gz UGBMGVZANLSGJM-GOSISDBHSA-N 2 1 314.454 3.468 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151369 264165866 /nfs/dbraw/zinc/16/58/66/264165866.db2.gz ATZRHJZSSFMBPZ-RYUDHWBXSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151369 264165868 /nfs/dbraw/zinc/16/58/68/264165868.db2.gz ATZRHJZSSFMBPZ-RYUDHWBXSA-N 2 1 307.488 3.431 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347200740 264175153 /nfs/dbraw/zinc/17/51/53/264175153.db2.gz JXQJVMYKEDPXPR-ZDUSSCGKSA-N 2 1 318.852 3.162 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347200740 264175154 /nfs/dbraw/zinc/17/51/54/264175154.db2.gz JXQJVMYKEDPXPR-ZDUSSCGKSA-N 2 1 318.852 3.162 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347211772 264176567 /nfs/dbraw/zinc/17/65/67/264176567.db2.gz PDMUMXNZWCAKKJ-PBHICJAKSA-N 2 1 312.461 3.048 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOCc2ccccc2)C[C@H]1C ZINC000347444287 264222658 /nfs/dbraw/zinc/22/26/58/264222658.db2.gz RUVIMFQNOHGNJY-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCc2ccccc2)C[C@H]1C ZINC000347444287 264222660 /nfs/dbraw/zinc/22/26/60/264222660.db2.gz RUVIMFQNOHGNJY-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCc2ccccc2)C[C@H]1C ZINC000347444287 264222662 /nfs/dbraw/zinc/22/26/62/264222662.db2.gz RUVIMFQNOHGNJY-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP Cc1nccn1CCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347457711 264223936 /nfs/dbraw/zinc/22/39/36/264223936.db2.gz QEGYXYPCBUDFSX-UHFFFAOYSA-N 2 1 318.509 3.312 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000347559635 264242277 /nfs/dbraw/zinc/24/22/77/264242277.db2.gz FBXZPNKAFCUNOZ-UHFFFAOYSA-N 2 1 322.468 3.396 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000347711967 264271112 /nfs/dbraw/zinc/27/11/12/264271112.db2.gz SSOYSHFFXUVLNC-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000347711967 264271114 /nfs/dbraw/zinc/27/11/14/264271114.db2.gz SSOYSHFFXUVLNC-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](NCc1ccc(F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071332 264334306 /nfs/dbraw/zinc/33/43/06/264334306.db2.gz DPIPYFCZNHPFIA-DOTOQJQBSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348071332 264334307 /nfs/dbraw/zinc/33/43/07/264334307.db2.gz DPIPYFCZNHPFIA-DOTOQJQBSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071332 264334308 /nfs/dbraw/zinc/33/43/08/264334308.db2.gz DPIPYFCZNHPFIA-DOTOQJQBSA-N 2 1 313.420 3.221 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(CO)CC2)cc1 ZINC000348095016 264339380 /nfs/dbraw/zinc/33/93/80/264339380.db2.gz HOKRMPOSBKCINA-NXVRBGIVSA-N 2 1 313.445 3.382 20 0 DGADMP CC[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000348125179 264346938 /nfs/dbraw/zinc/34/69/38/264346938.db2.gz XQOHLNQDMARTIL-DLBZAZTESA-N 2 1 305.466 3.282 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348222835 264368212 /nfs/dbraw/zinc/36/82/12/264368212.db2.gz AOBIZQOBINDOLX-MSOLQXFVSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348222835 264368214 /nfs/dbraw/zinc/36/82/14/264368214.db2.gz AOBIZQOBINDOLX-MSOLQXFVSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348222835 264368217 /nfs/dbraw/zinc/36/82/17/264368217.db2.gz AOBIZQOBINDOLX-MSOLQXFVSA-N 2 1 320.452 3.291 20 0 DGADMP CCOc1ccc2c(c1)CC[N@H+](CCCCn1ccnc1C)C2 ZINC000348274771 264380445 /nfs/dbraw/zinc/38/04/45/264380445.db2.gz VYOFPOUTSLJAQK-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP CCOc1ccc2c(c1)CC[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000348274771 264380447 /nfs/dbraw/zinc/38/04/47/264380447.db2.gz VYOFPOUTSLJAQK-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(C)c1OC(F)F ZINC000352525391 265079518 /nfs/dbraw/zinc/07/95/18/265079518.db2.gz GGGJAGIXCGTCCS-SFHVURJKSA-N 2 1 324.415 3.480 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(C)c1OC(F)F ZINC000352525391 265079519 /nfs/dbraw/zinc/07/95/19/265079519.db2.gz GGGJAGIXCGTCCS-SFHVURJKSA-N 2 1 324.415 3.480 20 0 DGADMP Clc1cc2cccnc2c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541487 265082679 /nfs/dbraw/zinc/08/26/79/265082679.db2.gz YLDHYDAOWDMCJF-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1cc2cccnc2c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541487 265082680 /nfs/dbraw/zinc/08/26/80/265082680.db2.gz YLDHYDAOWDMCJF-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352541328 265082877 /nfs/dbraw/zinc/08/28/77/265082877.db2.gz WQZFARXREMQYLS-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352541328 265082878 /nfs/dbraw/zinc/08/28/78/265082878.db2.gz WQZFARXREMQYLS-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CC(C)N(C)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352545520 265084099 /nfs/dbraw/zinc/08/40/99/265084099.db2.gz JSZVSJRHIPAKLA-UHFFFAOYSA-N 2 1 318.509 3.267 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)CC1CCCC1 ZINC000352544606 265084710 /nfs/dbraw/zinc/08/47/10/265084710.db2.gz BJIGDSKJXWGMPC-INIZCTEOSA-N 2 1 323.506 3.336 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)CC1CCCC1 ZINC000352544606 265084712 /nfs/dbraw/zinc/08/47/12/265084712.db2.gz BJIGDSKJXWGMPC-INIZCTEOSA-N 2 1 323.506 3.336 20 0 DGADMP Cc1ccc(C[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000352765075 265158327 /nfs/dbraw/zinc/15/83/27/265158327.db2.gz IWYKKYYXIUMSFF-NSHDSACASA-N 2 1 309.504 3.295 20 0 DGADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352813102 265179682 /nfs/dbraw/zinc/17/96/82/265179682.db2.gz JNEJFTKQUIPTLY-LBPRGKRZSA-N 2 1 307.438 3.065 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000352813611 265179806 /nfs/dbraw/zinc/17/98/06/265179806.db2.gz BUMARCMRVMYCMT-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000352813611 265179810 /nfs/dbraw/zinc/17/98/10/265179810.db2.gz BUMARCMRVMYCMT-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000352813611 265179815 /nfs/dbraw/zinc/17/98/15/265179815.db2.gz BUMARCMRVMYCMT-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000352838053 265190789 /nfs/dbraw/zinc/19/07/89/265190789.db2.gz DKLTWGUYWJQVPS-KBPBESRZSA-N 2 1 314.351 3.127 20 0 DGADMP Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000352838053 265190791 /nfs/dbraw/zinc/19/07/91/265190791.db2.gz DKLTWGUYWJQVPS-KBPBESRZSA-N 2 1 314.351 3.127 20 0 DGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000352840592 265193930 /nfs/dbraw/zinc/19/39/30/265193930.db2.gz NYWBNVZZTMHQJY-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000352840592 265193931 /nfs/dbraw/zinc/19/39/31/265193931.db2.gz NYWBNVZZTMHQJY-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP FC(F)(F)c1cscc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352852356 265198087 /nfs/dbraw/zinc/19/80/87/265198087.db2.gz JRSNVNMJADNUEW-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP FC(F)(F)c1cscc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000352852356 265198088 /nfs/dbraw/zinc/19/80/88/265198088.db2.gz JRSNVNMJADNUEW-SNVBAGLBSA-N 2 1 304.381 3.341 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352888916 265215785 /nfs/dbraw/zinc/21/57/85/265215785.db2.gz WIABARPVHYNMPR-HKUYNNGSSA-N 2 1 302.462 3.182 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCOC(F)(F)F ZINC000353240360 265359340 /nfs/dbraw/zinc/35/93/40/265359340.db2.gz SYRJXFBXTINXJH-UHFFFAOYSA-N 2 1 318.383 3.271 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000353636628 265495288 /nfs/dbraw/zinc/49/52/88/265495288.db2.gz HXDIBYXNKSPIHB-UHFFFAOYSA-N 2 1 308.429 3.356 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000355213415 266001804 /nfs/dbraw/zinc/00/18/04/266001804.db2.gz QNBCJDLRUAFQLS-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000355213415 266001808 /nfs/dbraw/zinc/00/18/08/266001808.db2.gz QNBCJDLRUAFQLS-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000355213415 266001812 /nfs/dbraw/zinc/00/18/12/266001812.db2.gz QNBCJDLRUAFQLS-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000355213417 266001919 /nfs/dbraw/zinc/00/19/19/266001919.db2.gz QNBCJDLRUAFQLS-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000355213417 266001923 /nfs/dbraw/zinc/00/19/23/266001923.db2.gz QNBCJDLRUAFQLS-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000355213417 266001926 /nfs/dbraw/zinc/00/19/26/266001926.db2.gz QNBCJDLRUAFQLS-MJGOQNOKSA-N 2 1 314.473 3.452 20 0 DGADMP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1c1ncc[nH]1 ZINC000355329554 266040493 /nfs/dbraw/zinc/04/04/93/266040493.db2.gz JLVDUEYESYPPTQ-NUEKZKHPSA-N 2 1 314.433 3.005 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1c1ncc[nH]1 ZINC000355329554 266040495 /nfs/dbraw/zinc/04/04/95/266040495.db2.gz JLVDUEYESYPPTQ-NUEKZKHPSA-N 2 1 314.433 3.005 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000355582947 266122527 /nfs/dbraw/zinc/12/25/27/266122527.db2.gz MJZKYYVPXTWJBB-LPHOPBHVSA-N 2 1 320.452 3.162 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2=CCCOC2)CC1)CC1CC1 ZINC000355900781 266222962 /nfs/dbraw/zinc/22/29/62/266222962.db2.gz KOVCWUQWMDNFHU-UHFFFAOYSA-N 2 1 306.494 3.167 20 0 DGADMP CCN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904426 266224195 /nfs/dbraw/zinc/22/41/95/266224195.db2.gz FGXIXBFIRSXDPP-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904426 266224197 /nfs/dbraw/zinc/22/41/97/266224197.db2.gz FGXIXBFIRSXDPP-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904426 266224198 /nfs/dbraw/zinc/22/41/98/266224198.db2.gz FGXIXBFIRSXDPP-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904426 266224199 /nfs/dbraw/zinc/22/41/99/266224199.db2.gz FGXIXBFIRSXDPP-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000355904426 266224201 /nfs/dbraw/zinc/22/42/01/266224201.db2.gz FGXIXBFIRSXDPP-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC000356255796 266333547 /nfs/dbraw/zinc/33/35/47/266333547.db2.gz JBSQGTRZWSFTLF-QWFCFKBJSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356255796 266333550 /nfs/dbraw/zinc/33/35/50/266333550.db2.gz JBSQGTRZWSFTLF-QWFCFKBJSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356255796 266333551 /nfs/dbraw/zinc/33/35/51/266333551.db2.gz JBSQGTRZWSFTLF-QWFCFKBJSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC000356255788 266333794 /nfs/dbraw/zinc/33/37/94/266333794.db2.gz JBSQGTRZWSFTLF-GGPKGHCWSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356255788 266333798 /nfs/dbraw/zinc/33/37/98/266333798.db2.gz JBSQGTRZWSFTLF-GGPKGHCWSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356255788 266333802 /nfs/dbraw/zinc/33/38/02/266333802.db2.gz JBSQGTRZWSFTLF-GGPKGHCWSA-N 2 1 317.521 3.215 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2c(s1)CCCC2 ZINC000151364708 432241568 /nfs/dbraw/zinc/24/15/68/432241568.db2.gz DAQQEHAJCHKXSI-AWEZNQCLSA-N 2 1 322.518 3.124 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479341 271025916 /nfs/dbraw/zinc/02/59/16/271025916.db2.gz KZZMYKABIVXCCK-WFASDCNBSA-N 2 1 324.490 3.148 20 0 DGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000368022444 271116105 /nfs/dbraw/zinc/11/61/05/271116105.db2.gz OHGRNHDKIQYQIS-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP CC(C)C1CCC(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000368024625 271116778 /nfs/dbraw/zinc/11/67/78/271116778.db2.gz UPDNOOLKHRKWKN-MHJFOBGBSA-N 2 1 321.553 3.161 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)OCCc3sccc32)CC1 ZINC000368083882 271132692 /nfs/dbraw/zinc/13/26/92/271132692.db2.gz PBKPVEDQKBQHAA-GOSISDBHSA-N 2 1 322.518 3.389 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000368525659 271165365 /nfs/dbraw/zinc/16/53/65/271165365.db2.gz FZOALMXRQWKVFS-FGTMMUONSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000270493814 432251391 /nfs/dbraw/zinc/25/13/91/432251391.db2.gz MRJFYQRTCKDEIA-KRWDZBQOSA-N 2 1 324.468 3.494 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)[C@H](C)C1 ZINC000247967191 432256364 /nfs/dbraw/zinc/25/63/64/432256364.db2.gz IGVFVDLFGCMZHM-FHLIZLRMSA-N 2 1 323.912 3.263 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000423286502 273506412 /nfs/dbraw/zinc/50/64/12/273506412.db2.gz HRUUCXTXGFZYSH-LBPRGKRZSA-N 2 1 317.658 3.417 20 0 DGADMP CC[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000151692717 273718483 /nfs/dbraw/zinc/71/84/83/273718483.db2.gz CEXIIPJTXKONKB-SFHVURJKSA-N 2 1 301.478 3.119 20 0 DGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000247981193 432257970 /nfs/dbraw/zinc/25/79/70/432257970.db2.gz IIDICVIIBSAZPW-OALUTQOASA-N 2 1 304.478 3.354 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2F)[C@@H](C)C1 ZINC000247980566 432258574 /nfs/dbraw/zinc/25/85/74/432258574.db2.gz MJTMSARBQODQGD-WMLDXEAASA-N 2 1 310.482 3.379 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000447529954 274022574 /nfs/dbraw/zinc/02/25/74/274022574.db2.gz NGBXQVIKWXKGCJ-RBUKOAKNSA-N 2 1 304.478 3.429 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000279035165 274132515 /nfs/dbraw/zinc/13/25/15/274132515.db2.gz WPSPZYQRGSAQTR-KDOFPFPSSA-N 2 1 311.429 3.121 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCO2 ZINC000423050505 274133548 /nfs/dbraw/zinc/13/35/48/274133548.db2.gz LWZOIRWRXQODLJ-OWLYRPNTSA-N 2 1 316.445 3.029 20 0 DGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000452022764 274149306 /nfs/dbraw/zinc/14/93/06/274149306.db2.gz VSDAMMRSIUZEIO-KZNAEPCWSA-N 2 1 302.462 3.357 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH+](C)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000452022764 274149308 /nfs/dbraw/zinc/14/93/08/274149308.db2.gz VSDAMMRSIUZEIO-KZNAEPCWSA-N 2 1 302.462 3.357 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH+](C)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000452022764 274149309 /nfs/dbraw/zinc/14/93/09/274149309.db2.gz VSDAMMRSIUZEIO-KZNAEPCWSA-N 2 1 302.462 3.357 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000098143757 274250022 /nfs/dbraw/zinc/25/00/22/274250022.db2.gz XUQCSGCEHGKTLK-PBHICJAKSA-N 2 1 310.869 3.083 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423131656 274308342 /nfs/dbraw/zinc/30/83/42/274308342.db2.gz BHARRCGHCNZCTQ-UIBBOPPKSA-N 2 1 323.278 3.283 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427701789 274861609 /nfs/dbraw/zinc/86/16/09/274861609.db2.gz NKHRMYZQUSVOFA-AWEZNQCLSA-N 2 1 324.350 3.273 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000282854347 274861633 /nfs/dbraw/zinc/86/16/33/274861633.db2.gz XRJCDSWCJBDZSE-HNNXBMFYSA-N 2 1 320.234 3.231 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278899874 274882005 /nfs/dbraw/zinc/88/20/05/274882005.db2.gz FQSBWDKFIFTGDG-MLGOLLRUSA-N 2 1 301.821 3.376 20 0 DGADMP OCC1([C@H]([NH2+]CCC[NH+]2CCCCC2)c2cccs2)CCC1 ZINC000452060498 275045609 /nfs/dbraw/zinc/04/56/09/275045609.db2.gz MSRTXCABXWHSRE-QGZVFWFLSA-N 2 1 322.518 3.417 20 0 DGADMP OCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000287736460 275045729 /nfs/dbraw/zinc/04/57/29/275045729.db2.gz YQAHVWRXLFREHM-XUVXKRRUSA-N 2 1 316.489 3.039 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343096207 275048601 /nfs/dbraw/zinc/04/86/01/275048601.db2.gz MEUBOZSOKJSGJZ-WMZOPIPTSA-N 2 1 322.880 3.154 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000190945366 275058479 /nfs/dbraw/zinc/05/84/79/275058479.db2.gz PVTLEMFABWNPDF-BZSNNMDCSA-N 2 1 318.461 3.015 20 0 DGADMP c1ccc(OC[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000451308734 275068181 /nfs/dbraw/zinc/06/81/81/275068181.db2.gz BSRKHPQIFDMPRL-SFHVURJKSA-N 2 1 302.462 3.406 20 0 DGADMP c1coc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414772891 275074653 /nfs/dbraw/zinc/07/46/53/275074653.db2.gz CROVRGOHJGXLDA-UONOGXRCSA-N 2 1 317.458 3.225 20 0 DGADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414785361 275369061 /nfs/dbraw/zinc/36/90/61/275369061.db2.gz SNHXIJYPTXDUTR-GJZGRUSLSA-N 2 1 323.278 3.271 20 0 DGADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246818501 276228035 /nfs/dbraw/zinc/22/80/35/276228035.db2.gz ANTAEXHBIPMNRC-LPHOPBHVSA-N 2 1 307.526 3.103 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)[C@H](C)C1 ZINC000338000618 276316104 /nfs/dbraw/zinc/31/61/04/276316104.db2.gz YWFITDDSPQRSLN-OQIJWPOYSA-N 2 1 308.510 3.292 20 0 DGADMP CCOCc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422804283 276334634 /nfs/dbraw/zinc/33/46/34/276334634.db2.gz HEXOQYOWQKSXPH-UZLBHIALSA-N 2 1 312.457 3.271 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449752252 276337941 /nfs/dbraw/zinc/33/79/41/276337941.db2.gz BUOPNCOMCDBTHJ-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CCOCC1 ZINC000123246784 276772032 /nfs/dbraw/zinc/77/20/32/276772032.db2.gz IBFGUPXLUISLGE-MSOLQXFVSA-N 2 1 316.489 3.269 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970623 277059944 /nfs/dbraw/zinc/05/99/44/277059944.db2.gz FQKBXQPJMGPSBO-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970623 277059946 /nfs/dbraw/zinc/05/99/46/277059946.db2.gz FQKBXQPJMGPSBO-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970623 277059948 /nfs/dbraw/zinc/05/99/48/277059948.db2.gz FQKBXQPJMGPSBO-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000247970623 277059950 /nfs/dbraw/zinc/05/99/50/277059950.db2.gz FQKBXQPJMGPSBO-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437069 277072221 /nfs/dbraw/zinc/07/22/21/277072221.db2.gz DDVHHBGPLAHYDB-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437069 277072222 /nfs/dbraw/zinc/07/22/22/277072222.db2.gz DDVHHBGPLAHYDB-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437069 277072223 /nfs/dbraw/zinc/07/22/23/277072223.db2.gz DDVHHBGPLAHYDB-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000339437069 277072224 /nfs/dbraw/zinc/07/22/24/277072224.db2.gz DDVHHBGPLAHYDB-HXUWFJFHSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011759 277077368 /nfs/dbraw/zinc/07/73/68/277077368.db2.gz KWESLIPKISCXOC-RBUKOAKNSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011759 277077369 /nfs/dbraw/zinc/07/73/69/277077369.db2.gz KWESLIPKISCXOC-RBUKOAKNSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011759 277077371 /nfs/dbraw/zinc/07/73/71/277077371.db2.gz KWESLIPKISCXOC-RBUKOAKNSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011759 277077373 /nfs/dbraw/zinc/07/73/73/277077373.db2.gz KWESLIPKISCXOC-RBUKOAKNSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340358878 277173148 /nfs/dbraw/zinc/17/31/48/277173148.db2.gz CALQINFHUPXAQB-MTQWCTHYSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340358878 277173149 /nfs/dbraw/zinc/17/31/49/277173149.db2.gz CALQINFHUPXAQB-MTQWCTHYSA-N 2 1 314.473 3.369 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000469992910 277286251 /nfs/dbraw/zinc/28/62/51/277286251.db2.gz RKQHRGHDRMLSJK-CYBMUJFWSA-N 2 1 320.383 3.483 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000469992910 277286252 /nfs/dbraw/zinc/28/62/52/277286252.db2.gz RKQHRGHDRMLSJK-CYBMUJFWSA-N 2 1 320.383 3.483 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000293038493 277330555 /nfs/dbraw/zinc/33/05/55/277330555.db2.gz SBYHTBJNCPUDFL-MSOLQXFVSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038493 277330557 /nfs/dbraw/zinc/33/05/57/277330557.db2.gz SBYHTBJNCPUDFL-MSOLQXFVSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000293038493 277330558 /nfs/dbraw/zinc/33/05/58/277330558.db2.gz SBYHTBJNCPUDFL-MSOLQXFVSA-N 2 1 322.880 3.445 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422996477 277396914 /nfs/dbraw/zinc/39/69/14/277396914.db2.gz MFXQMQQLTFENIY-YSTOQKLRSA-N 3 1 321.553 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422996477 277396915 /nfs/dbraw/zinc/39/69/15/277396915.db2.gz MFXQMQQLTFENIY-YSTOQKLRSA-N 2 1 321.553 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422996477 277396917 /nfs/dbraw/zinc/39/69/17/277396917.db2.gz MFXQMQQLTFENIY-YSTOQKLRSA-N 2 1 321.553 3.255 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)CCO2 ZINC000423051607 277983334 /nfs/dbraw/zinc/98/33/34/277983334.db2.gz OUAOYBSCXXLPNZ-MPGHIAIKSA-N 2 1 318.461 3.419 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976362 278002484 /nfs/dbraw/zinc/00/24/84/278002484.db2.gz FMIHINAWTCFHLR-RHQZKXFESA-N 2 1 320.521 3.292 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C2 ZINC000495256610 278034424 /nfs/dbraw/zinc/03/44/24/278034424.db2.gz SYQQBNBCOBSNHR-AEFFLSMTSA-N 2 1 316.489 3.407 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000173405568 278174690 /nfs/dbraw/zinc/17/46/90/278174690.db2.gz PYUZCSBGBDXCPH-DOTOQJQBSA-N 2 1 322.518 3.296 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324207 278307222 /nfs/dbraw/zinc/30/72/22/278307222.db2.gz HACSXCTZAHSVLL-UKRRQHHQSA-N 2 1 308.853 3.088 20 0 DGADMP C[C@H]1CC(CC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@H](C)C1 ZINC000420330126 278324919 /nfs/dbraw/zinc/32/49/19/278324919.db2.gz PLIDTFUYKVLLME-JFIYKMOQSA-N 2 1 308.510 3.136 20 0 DGADMP C[C@@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1C[NH2+]C1 ZINC000422965811 278358399 /nfs/dbraw/zinc/35/83/99/278358399.db2.gz MBKYZUGIHANTFM-MRXNPFEDSA-N 2 1 323.484 3.113 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181696729 279040988 /nfs/dbraw/zinc/04/09/88/279040988.db2.gz FKGSHDAQIYVDJJ-FHWLQOOXSA-N 2 1 316.489 3.432 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180486521 279125007 /nfs/dbraw/zinc/12/50/07/279125007.db2.gz AXBHFEAVSFZELG-SJORKVTESA-N 2 1 304.478 3.462 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnc2ccsc2c1 ZINC000068691290 431138132 /nfs/dbraw/zinc/13/81/32/431138132.db2.gz OOOASTGUAFCCEC-STQMWFEESA-N 2 1 301.459 3.431 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910226 279384143 /nfs/dbraw/zinc/38/41/43/279384143.db2.gz HQDSYWKQDKEDMI-RTBURBONSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307805 431275559 /nfs/dbraw/zinc/27/55/59/431275559.db2.gz RGQZNLNBDHLHTN-GBIKHYSHSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307805 431275563 /nfs/dbraw/zinc/27/55/63/431275563.db2.gz RGQZNLNBDHLHTN-GBIKHYSHSA-N 2 1 317.296 3.329 20 0 DGADMP Cc1cnn(CCCCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075861354 431503425 /nfs/dbraw/zinc/50/34/25/431503425.db2.gz WFZKWPRSKJSZBP-SFHVURJKSA-N 2 1 306.498 3.168 20 0 DGADMP Cc1cnn(CCCCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075861354 431503431 /nfs/dbraw/zinc/50/34/31/431503431.db2.gz WFZKWPRSKJSZBP-SFHVURJKSA-N 2 1 306.498 3.168 20 0 DGADMP Cc1cnn(CCCCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075861354 431503435 /nfs/dbraw/zinc/50/34/35/431503435.db2.gz WFZKWPRSKJSZBP-SFHVURJKSA-N 2 1 306.498 3.168 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2csc(C)n2)CC1 ZINC000119266570 431668187 /nfs/dbraw/zinc/66/81/87/431668187.db2.gz UHHJYOVVRXNUHZ-UHFFFAOYSA-N 2 1 309.523 3.438 20 0 DGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119700716 431713089 /nfs/dbraw/zinc/71/30/89/431713089.db2.gz ILBFJUZQROCSNW-GJZGRUSLSA-N 2 1 302.462 3.404 20 0 DGADMP c1ccc(OCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000028962938 431713255 /nfs/dbraw/zinc/71/32/55/431713255.db2.gz GCJKCPQHXFIKIF-UHFFFAOYSA-N 2 1 302.462 3.406 20 0 in-vivo DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119657057 431713418 /nfs/dbraw/zinc/71/34/18/431713418.db2.gz FXQNXIBMJCFWSF-VAMGGRTRSA-N 2 1 323.569 3.455 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCCC1 ZINC000121269208 431765353 /nfs/dbraw/zinc/76/53/53/431765353.db2.gz KOKZDJLTKKKPJQ-MLHJIOFPSA-N 2 1 306.494 3.044 20 0 DGADMP COc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000119726514 431715359 /nfs/dbraw/zinc/71/53/59/431715359.db2.gz PFKSSDKZNQNZEV-LJQANCHMSA-N 2 1 316.489 3.479 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996435 431842303 /nfs/dbraw/zinc/84/23/03/431842303.db2.gz DCRWQIGOXWMBFG-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996435 431842306 /nfs/dbraw/zinc/84/23/06/431842306.db2.gz DCRWQIGOXWMBFG-HUUCEWRRSA-N 2 1 309.251 3.166 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1Br ZINC000037213645 431845131 /nfs/dbraw/zinc/84/51/31/431845131.db2.gz FTHFQSANMHZCJU-LLVKDONJSA-N 2 1 315.255 3.060 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123028989 431852446 /nfs/dbraw/zinc/85/24/46/431852446.db2.gz IWAQKUOQZLENTO-MBOZVWFJSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123028989 431852447 /nfs/dbraw/zinc/85/24/47/431852447.db2.gz IWAQKUOQZLENTO-MBOZVWFJSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123028989 431852450 /nfs/dbraw/zinc/85/24/50/431852450.db2.gz IWAQKUOQZLENTO-MBOZVWFJSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123028989 431852452 /nfs/dbraw/zinc/85/24/52/431852452.db2.gz IWAQKUOQZLENTO-MBOZVWFJSA-N 2 1 315.505 3.101 20 0 DGADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000123098826 431854752 /nfs/dbraw/zinc/85/47/52/431854752.db2.gz HSHBCUHSNAPDRL-WOJBJXKFSA-N 2 1 316.489 3.241 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)cc2c1 ZINC000123443125 431864885 /nfs/dbraw/zinc/86/48/85/431864885.db2.gz QXZBBZCANSCWDM-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP Brc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054306 431823234 /nfs/dbraw/zinc/82/32/34/431823234.db2.gz PDYCBWWMZDIBOX-UHFFFAOYSA-N 2 1 309.251 3.166 20 0 DGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2n1 ZINC000124887764 431907843 /nfs/dbraw/zinc/90/78/43/431907843.db2.gz ULFNVRAEDRSKQK-HBUWYVDXSA-N 2 1 313.445 3.062 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000125143583 431915465 /nfs/dbraw/zinc/91/54/65/431915465.db2.gz DFLUUEBVUOKRLI-INIZCTEOSA-N 2 1 312.461 3.312 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000125143583 431915467 /nfs/dbraw/zinc/91/54/67/431915467.db2.gz DFLUUEBVUOKRLI-INIZCTEOSA-N 2 1 312.461 3.312 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000124049807 431882147 /nfs/dbraw/zinc/88/21/47/431882147.db2.gz CGIGGCWELFAWMX-UHFFFAOYSA-N 2 1 318.509 3.168 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124346789 431890482 /nfs/dbraw/zinc/89/04/82/431890482.db2.gz OLHNVZDMGDMZEV-NVXWUHKLSA-N 2 1 302.462 3.090 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCO2 ZINC000124388333 431892926 /nfs/dbraw/zinc/89/29/26/431892926.db2.gz UTCZOPWLXFYREE-RDTXWAMCSA-N 2 1 300.446 3.147 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)[C@H](C)C1 ZINC000090948617 431898459 /nfs/dbraw/zinc/89/84/59/431898459.db2.gz DNLWEOSPWOTJCI-HIFRSBDPSA-N 2 1 309.523 3.303 20 0 DGADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000124608701 431899319 /nfs/dbraw/zinc/89/93/19/431899319.db2.gz KNXRDNPEVAQCFS-OAHLLOKOSA-N 2 1 303.475 3.088 20 0 DGADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000124608701 431899321 /nfs/dbraw/zinc/89/93/21/431899321.db2.gz KNXRDNPEVAQCFS-OAHLLOKOSA-N 2 1 303.475 3.088 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000124900754 431907204 /nfs/dbraw/zinc/90/72/04/431907204.db2.gz RMIKENKPOAMURY-HOTGVXAUSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000124900754 431907207 /nfs/dbraw/zinc/90/72/07/431907207.db2.gz RMIKENKPOAMURY-HOTGVXAUSA-N 2 1 313.445 3.492 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000124900754 431907210 /nfs/dbraw/zinc/90/72/10/431907210.db2.gz RMIKENKPOAMURY-HOTGVXAUSA-N 2 1 313.445 3.492 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C2CC2)cc1 ZINC000098144166 431979051 /nfs/dbraw/zinc/97/90/51/431979051.db2.gz DEQGXZSMCOELGH-VQTJNVASSA-N 2 1 316.489 3.129 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000125484294 431927562 /nfs/dbraw/zinc/92/75/62/431927562.db2.gz NGKFLMXRDSSZDM-APWZRJJASA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000125484294 431927563 /nfs/dbraw/zinc/92/75/63/431927563.db2.gz NGKFLMXRDSSZDM-APWZRJJASA-N 2 1 313.445 3.434 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000125873808 431937791 /nfs/dbraw/zinc/93/77/91/431937791.db2.gz FYAYUYMOLBRQDI-SFHVURJKSA-N 2 1 315.505 3.365 20 0 DGADMP COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000125942999 431938670 /nfs/dbraw/zinc/93/86/70/431938670.db2.gz CQPSJOSSKLHEAM-JKSUJKDBSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000125942999 431938673 /nfs/dbraw/zinc/93/86/73/431938673.db2.gz CQPSJOSSKLHEAM-JKSUJKDBSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000125942999 431938674 /nfs/dbraw/zinc/93/86/74/431938674.db2.gz CQPSJOSSKLHEAM-JKSUJKDBSA-N 2 1 320.477 3.475 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000051756179 431953331 /nfs/dbraw/zinc/95/33/31/431953331.db2.gz ZNHNQQXEZMOWSW-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127776360 431980662 /nfs/dbraw/zinc/98/06/62/431980662.db2.gz UNYXGWPLYKXXTD-VQTJNVASSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127776360 431980663 /nfs/dbraw/zinc/98/06/63/431980663.db2.gz UNYXGWPLYKXXTD-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127776360 431980666 /nfs/dbraw/zinc/98/06/66/431980666.db2.gz UNYXGWPLYKXXTD-VQTJNVASSA-N 2 1 315.505 3.245 20 0 DGADMP c1cnn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000097234711 431966321 /nfs/dbraw/zinc/96/63/21/431966321.db2.gz SFMOXBPUFNNPCM-IHWFROFDSA-N 2 1 324.472 3.058 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000127874004 431983035 /nfs/dbraw/zinc/98/30/35/431983035.db2.gz PRWJEUUPGKCBJK-LSDHHAIUSA-N 2 1 323.278 3.474 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000128287863 431990927 /nfs/dbraw/zinc/99/09/27/431990927.db2.gz UOWNCANSYXZFTP-ZDUSSCGKSA-N 2 1 315.914 3.080 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000270672761 432273488 /nfs/dbraw/zinc/27/34/88/432273488.db2.gz SLYDSWIERPXZRL-OAHLLOKOSA-N 2 1 301.434 3.153 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270672761 432273494 /nfs/dbraw/zinc/27/34/94/432273494.db2.gz SLYDSWIERPXZRL-OAHLLOKOSA-N 2 1 301.434 3.153 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248402638 432284650 /nfs/dbraw/zinc/28/46/50/432284650.db2.gz NNTCSMCHQDBGNI-RSPOEFSDSA-N 2 1 316.489 3.159 20 0 DGADMP CCOCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248399120 432284875 /nfs/dbraw/zinc/28/48/75/432284875.db2.gz JQPGCCYTBMRPMV-XUVXKRRUSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183358822 432285373 /nfs/dbraw/zinc/28/53/73/432285373.db2.gz LRAHITQGINXENA-GOSISDBHSA-N 2 1 317.408 3.264 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183358822 432285377 /nfs/dbraw/zinc/28/53/77/432285377.db2.gz LRAHITQGINXENA-GOSISDBHSA-N 2 1 317.408 3.264 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H]1C ZINC000248404767 432285965 /nfs/dbraw/zinc/28/59/65/432285965.db2.gz QROARBKZXREMFC-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000248445923 432291475 /nfs/dbraw/zinc/29/14/75/432291475.db2.gz MRSGMRLRISCDIH-QAPCUYQASA-N 2 1 304.478 3.168 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270829702 432294445 /nfs/dbraw/zinc/29/44/45/432294445.db2.gz CRSAKDUNLAXAPU-KRWDZBQOSA-N 2 1 323.444 3.014 20 0 DGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000270829702 432294448 /nfs/dbraw/zinc/29/44/48/432294448.db2.gz CRSAKDUNLAXAPU-KRWDZBQOSA-N 2 1 323.444 3.014 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132409 432262189 /nfs/dbraw/zinc/26/21/89/432262189.db2.gz NNTCSMCHQDBGNI-BTHPGYMESA-N 2 1 316.489 3.159 20 0 DGADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000248026677 432263595 /nfs/dbraw/zinc/26/35/95/432263595.db2.gz PHGOIQIBSGYXIJ-DOTOQJQBSA-N 2 1 320.477 3.099 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000270627262 432268294 /nfs/dbraw/zinc/26/82/94/432268294.db2.gz KZZSWEOPOMYVST-UHFFFAOYSA-N 2 1 312.461 3.021 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249000520 432332171 /nfs/dbraw/zinc/33/21/71/432332171.db2.gz QKUOVHRDXZAMTG-WPVAHCMFSA-N 2 1 314.473 3.075 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249052819 432336330 /nfs/dbraw/zinc/33/63/30/432336330.db2.gz XXZJDIBSALBHLO-OUUBHVDSSA-N 2 1 314.473 3.339 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000174453009 432349425 /nfs/dbraw/zinc/34/94/25/432349425.db2.gz BAMQSJUOGFNABP-UHFFFAOYSA-N 2 1 313.445 3.475 20 0 DGADMP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000192475473 432378108 /nfs/dbraw/zinc/37/81/08/432378108.db2.gz IPOJLJJWLBTSEX-ABSDTBQOSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cncc(C)c2)[C@H](C)C1 ZINC000184358178 432383484 /nfs/dbraw/zinc/38/34/84/432383484.db2.gz OMKQETKNLKQJAM-ZIFCJYIRSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cncc(C)c2)[C@H](C)C1 ZINC000184358178 432383487 /nfs/dbraw/zinc/38/34/87/432383487.db2.gz OMKQETKNLKQJAM-ZIFCJYIRSA-N 2 1 319.493 3.178 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH3+] ZINC000253180416 432387871 /nfs/dbraw/zinc/38/78/71/432387871.db2.gz DOVILUZOVSWNKT-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH3+] ZINC000253180417 432388440 /nfs/dbraw/zinc/38/84/40/432388440.db2.gz DOVILUZOVSWNKT-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000252844784 432389219 /nfs/dbraw/zinc/38/92/19/432389219.db2.gz DSNWKKKMNMTHJV-DZKIICNBSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000252844784 432389227 /nfs/dbraw/zinc/38/92/27/432389227.db2.gz DSNWKKKMNMTHJV-DZKIICNBSA-N 2 1 323.278 3.317 20 0 DGADMP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153255556 432396629 /nfs/dbraw/zinc/39/66/29/432396629.db2.gz XTHOTLZLBLPKCV-PXNSSMCTSA-N 2 1 316.489 3.241 20 0 DGADMP CC(C)[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192741159 432407607 /nfs/dbraw/zinc/40/76/07/432407607.db2.gz NHRKHHIUWFROAD-IBGZPJMESA-N 2 1 309.542 3.161 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271472391 432401671 /nfs/dbraw/zinc/40/16/71/432401671.db2.gz HPRUMVLBQWEHAN-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271472391 432401673 /nfs/dbraw/zinc/40/16/73/432401673.db2.gz HPRUMVLBQWEHAN-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472386 432401987 /nfs/dbraw/zinc/40/19/87/432401987.db2.gz HPRUMVLBQWEHAN-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472386 432401991 /nfs/dbraw/zinc/40/19/91/432401991.db2.gz HPRUMVLBQWEHAN-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000152905983 432367188 /nfs/dbraw/zinc/36/71/88/432367188.db2.gz JHEFDFSQGGRENO-WBVHZDCISA-N 2 1 308.853 3.277 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000261551631 432429973 /nfs/dbraw/zinc/42/99/73/432429973.db2.gz QQAHRBLCWKSOGF-GOSISDBHSA-N 2 1 310.441 3.307 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000261551631 432429975 /nfs/dbraw/zinc/42/99/75/432429975.db2.gz QQAHRBLCWKSOGF-GOSISDBHSA-N 2 1 310.441 3.307 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261583776 432432402 /nfs/dbraw/zinc/43/24/02/432432402.db2.gz RYPQCQQGMUJOOQ-DZGBDDFRSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261583776 432432406 /nfs/dbraw/zinc/43/24/06/432432406.db2.gz RYPQCQQGMUJOOQ-DZGBDDFRSA-N 2 1 309.251 3.179 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000261611314 432433205 /nfs/dbraw/zinc/43/32/05/432433205.db2.gz CDKSYUDBOULQIG-UXHICEINSA-N 2 1 317.436 3.409 20 0 DGADMP Oc1ccc([N@H+](CCc2ccccc2)CC2CC[NH2+]CC2)cc1 ZINC000261691805 432443045 /nfs/dbraw/zinc/44/30/45/432443045.db2.gz JCUDDQBVSMSVBW-UHFFFAOYSA-N 2 1 310.441 3.441 20 0 DGADMP Oc1ccc([N@@H+](CCc2ccccc2)CC2CC[NH2+]CC2)cc1 ZINC000261691805 432443048 /nfs/dbraw/zinc/44/30/48/432443048.db2.gz JCUDDQBVSMSVBW-UHFFFAOYSA-N 2 1 310.441 3.441 20 0 DGADMP CC[N@H+](Cc1nc2ccc(OC)cc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000261757020 432448546 /nfs/dbraw/zinc/44/85/46/432448546.db2.gz CPVMXQQKVHNEFR-CYBMUJFWSA-N 2 1 319.474 3.269 20 0 DGADMP CC[N@@H+](Cc1nc2ccc(OC)cc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000261757020 432448548 /nfs/dbraw/zinc/44/85/48/432448548.db2.gz CPVMXQQKVHNEFR-CYBMUJFWSA-N 2 1 319.474 3.269 20 0 DGADMP C[C@@H]([NH2+]Cc1cncs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272142579 432452632 /nfs/dbraw/zinc/45/26/32/432452632.db2.gz BTVVANHDGUMNNY-ZBFHGGJFSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@@H]([NH2+]Cc1cncs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272142579 432452636 /nfs/dbraw/zinc/45/26/36/432452636.db2.gz BTVVANHDGUMNNY-ZBFHGGJFSA-N 2 1 301.459 3.143 20 0 DGADMP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000261823014 432452950 /nfs/dbraw/zinc/45/29/50/432452950.db2.gz IMAYZBCJYUZKLJ-IRXDYDNUSA-N 2 1 317.477 3.034 20 0 DGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000261823014 432452954 /nfs/dbraw/zinc/45/29/54/432452954.db2.gz IMAYZBCJYUZKLJ-IRXDYDNUSA-N 2 1 317.477 3.034 20 0 DGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCCC[C@@H]1C ZINC000192837726 432420355 /nfs/dbraw/zinc/42/03/55/432420355.db2.gz QSAMOSIZIOTMQP-OALUTQOASA-N 2 1 309.542 3.303 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262126075 432474924 /nfs/dbraw/zinc/47/49/24/432474924.db2.gz LDEMXELCKRKUEZ-IHRRRGAJSA-N 2 1 317.458 3.271 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262126075 432474928 /nfs/dbraw/zinc/47/49/28/432474928.db2.gz LDEMXELCKRKUEZ-IHRRRGAJSA-N 2 1 317.458 3.271 20 0 DGADMP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000185196687 432476605 /nfs/dbraw/zinc/47/66/05/432476605.db2.gz ZNQDEHYIAUTFSH-GOSISDBHSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cccc2c(CC[NH2+]Cc3c[nH+]ccc3N(C)C)c[nH]c21 ZINC000185205908 432477554 /nfs/dbraw/zinc/47/75/54/432477554.db2.gz PLFVWQWDLXPMSY-UHFFFAOYSA-N 2 1 308.429 3.270 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]12 ZINC000262442110 432485566 /nfs/dbraw/zinc/48/55/66/432485566.db2.gz GVYBVGKIEGFYEC-VHDGCEQUSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]12 ZINC000262442110 432485575 /nfs/dbraw/zinc/48/55/75/432485575.db2.gz GVYBVGKIEGFYEC-VHDGCEQUSA-N 2 1 317.820 3.164 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000185272953 432486657 /nfs/dbraw/zinc/48/66/57/432486657.db2.gz AQLYKXZGLFGOPT-HOCLYGCPSA-N 2 1 320.452 3.087 20 0 DGADMP Cc1cc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C(C)C ZINC000262437066 432486671 /nfs/dbraw/zinc/48/66/71/432486671.db2.gz GLIYHVGBWNQIBV-APWZRJJASA-N 2 1 302.462 3.181 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C(C)C ZINC000262437066 432486674 /nfs/dbraw/zinc/48/66/74/432486674.db2.gz GLIYHVGBWNQIBV-APWZRJJASA-N 2 1 302.462 3.181 20 0 DGADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000272352593 432487439 /nfs/dbraw/zinc/48/74/39/432487439.db2.gz QTTHHIUZTWUCEE-UHOSZYNNSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000154360619 432495220 /nfs/dbraw/zinc/49/52/20/432495220.db2.gz KMQJOTACCWTATQ-CYBMUJFWSA-N 2 1 315.914 3.080 20 0 DGADMP CCC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272422072 432498745 /nfs/dbraw/zinc/49/87/45/432498745.db2.gz OACCQDDVSQFNOZ-YSTOQKLRSA-N 2 1 316.489 3.323 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000154469751 432500946 /nfs/dbraw/zinc/50/09/46/432500946.db2.gz JMUFDWGLKMXADR-IBGZPJMESA-N 2 1 317.521 3.372 20 0 DGADMP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443213 432503098 /nfs/dbraw/zinc/50/30/98/432503098.db2.gz UITMCAUYKLKACN-XLNTUCKNSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000272443213 432503105 /nfs/dbraw/zinc/50/31/05/432503105.db2.gz UITMCAUYKLKACN-XLNTUCKNSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H](Cn1ccnc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447442 432504297 /nfs/dbraw/zinc/50/42/97/432504297.db2.gz VHFXZNWBCQHFJD-FFGOWVMKSA-N 2 1 324.472 3.057 20 0 DGADMP COc1cc(OC)c([C@H](C)NC[C@H]2CCC[N@H+]2C)cc1Cl ZINC000154623224 432511596 /nfs/dbraw/zinc/51/15/96/432511596.db2.gz NIVXKICPAQTGPN-NWDGAFQWSA-N 2 1 312.841 3.102 20 0 DGADMP Clc1ccccc1O[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261918489 432460008 /nfs/dbraw/zinc/46/00/08/432460008.db2.gz KEAPCTYEYSDNEZ-OAHLLOKOSA-N 2 1 308.853 3.183 20 0 DGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC(CC[NH2+]C)CC2)cs1 ZINC000261967474 432466286 /nfs/dbraw/zinc/46/62/86/432466286.db2.gz BQDDRNQDHFBRRY-ZDUSSCGKSA-N 2 1 311.495 3.062 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCCC1 ZINC000193955418 432512161 /nfs/dbraw/zinc/51/21/61/432512161.db2.gz HIADQXYOGNPBKO-KZNAEPCWSA-N 2 1 306.494 3.188 20 0 DGADMP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000193982608 432514133 /nfs/dbraw/zinc/51/41/33/432514133.db2.gz LIUDBWVKFWSCHO-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666154 432521533 /nfs/dbraw/zinc/52/15/33/432521533.db2.gz JUIABEIRPGCVMQ-HIFRSBDPSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666154 432521536 /nfs/dbraw/zinc/52/15/36/432521536.db2.gz JUIABEIRPGCVMQ-HIFRSBDPSA-N 2 1 307.869 3.478 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000154858925 432525444 /nfs/dbraw/zinc/52/54/44/432525444.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000154858925 432525447 /nfs/dbraw/zinc/52/54/47/432525447.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000154858925 432525451 /nfs/dbraw/zinc/52/54/51/432525451.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000154858925 432525454 /nfs/dbraw/zinc/52/54/54/432525454.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000154858925 432525458 /nfs/dbraw/zinc/52/54/58/432525458.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000154858925 432525461 /nfs/dbraw/zinc/52/54/61/432525461.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000154858925 432525464 /nfs/dbraw/zinc/52/54/64/432525464.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000154858925 432525469 /nfs/dbraw/zinc/52/54/69/432525469.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000154858925 432525472 /nfs/dbraw/zinc/52/54/72/432525472.db2.gz QDFOYBHXTXRNMS-FUHIMQAGSA-N 2 1 317.521 3.345 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC000264044103 432608199 /nfs/dbraw/zinc/60/81/99/432608199.db2.gz KRZRLIVAUHVCHJ-MAUKXSAKSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000264044103 432608204 /nfs/dbraw/zinc/60/82/04/432608204.db2.gz KRZRLIVAUHVCHJ-MAUKXSAKSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000264044103 432608210 /nfs/dbraw/zinc/60/82/10/432608210.db2.gz KRZRLIVAUHVCHJ-MAUKXSAKSA-N 2 1 315.461 3.094 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000186620454 432614474 /nfs/dbraw/zinc/61/44/74/432614474.db2.gz UHONVIDUYNGZSB-UHFFFAOYSA-N 2 1 304.478 3.267 20 0 DGADMP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000186212919 432569359 /nfs/dbraw/zinc/56/93/59/432569359.db2.gz ZUPOHIIZFNKAAC-MRXNPFEDSA-N 2 1 302.462 3.187 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000177200030 432597773 /nfs/dbraw/zinc/59/77/73/432597773.db2.gz BVBHQTCMWHEZLO-XHSDSOJGSA-N 2 1 302.462 3.184 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000273461144 432600193 /nfs/dbraw/zinc/60/01/93/432600193.db2.gz QKZBIKKAQXCWCH-BNEJOLLZSA-N 2 1 306.425 3.118 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000273461144 432600199 /nfs/dbraw/zinc/60/01/99/432600199.db2.gz QKZBIKKAQXCWCH-BNEJOLLZSA-N 2 1 306.425 3.118 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000273461153 432600732 /nfs/dbraw/zinc/60/07/32/432600732.db2.gz QKZBIKKAQXCWCH-ZSGPHXLJSA-N 2 1 306.425 3.118 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000273461153 432600737 /nfs/dbraw/zinc/60/07/37/432600737.db2.gz QKZBIKKAQXCWCH-ZSGPHXLJSA-N 2 1 306.425 3.118 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000177237220 432602836 /nfs/dbraw/zinc/60/28/36/432602836.db2.gz PNUJYRACMAPSQH-XHSDSOJGSA-N 2 1 302.462 3.184 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000186688220 432623084 /nfs/dbraw/zinc/62/30/84/432623084.db2.gz BDJSWXWPRYIPSY-HNNXBMFYSA-N 2 1 322.468 3.287 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000186740303 432627312 /nfs/dbraw/zinc/62/73/12/432627312.db2.gz XOEPDEVYTKIVJU-XLAORIBOSA-N 2 1 324.509 3.208 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000158203596 432639702 /nfs/dbraw/zinc/63/97/02/432639702.db2.gz DYRRMHGIIKISKT-NVXWUHKLSA-N 2 1 300.446 3.364 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000158576200 432651564 /nfs/dbraw/zinc/65/15/64/432651564.db2.gz IJODXQQIDOQEEG-XCDZQEORSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000158576200 432651567 /nfs/dbraw/zinc/65/15/67/432651567.db2.gz IJODXQQIDOQEEG-XCDZQEORSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000158576200 432651572 /nfs/dbraw/zinc/65/15/72/432651572.db2.gz IJODXQQIDOQEEG-XCDZQEORSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C1 ZINC000158576200 432651574 /nfs/dbraw/zinc/65/15/74/432651574.db2.gz IJODXQQIDOQEEG-XCDZQEORSA-N 2 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C1 ZINC000158576200 432651579 /nfs/dbraw/zinc/65/15/79/432651579.db2.gz IJODXQQIDOQEEG-XCDZQEORSA-N 2 1 309.542 3.063 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158681060 432655047 /nfs/dbraw/zinc/65/50/47/432655047.db2.gz VHEAJJVMEOKEBR-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158681060 432655049 /nfs/dbraw/zinc/65/50/49/432655049.db2.gz VHEAJJVMEOKEBR-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158681060 432655054 /nfs/dbraw/zinc/65/50/54/432655054.db2.gz VHEAJJVMEOKEBR-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158681060 432655058 /nfs/dbraw/zinc/65/50/58/432655058.db2.gz VHEAJJVMEOKEBR-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158681060 432655060 /nfs/dbraw/zinc/65/50/60/432655060.db2.gz VHEAJJVMEOKEBR-DYVFJYSZSA-N 2 1 310.844 3.438 20 0 DGADMP Brc1cccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217642250 432655970 /nfs/dbraw/zinc/65/59/70/432655970.db2.gz SICAMEMQZYAOAI-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000217642250 432655973 /nfs/dbraw/zinc/65/59/73/432655973.db2.gz SICAMEMQZYAOAI-GJZGRUSLSA-N 2 1 309.251 3.166 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(C)s1 ZINC000158875714 432660387 /nfs/dbraw/zinc/66/03/87/432660387.db2.gz WFPQWBHPIMXWAP-GOEBONIOSA-N 2 1 310.507 3.108 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158911122 432662630 /nfs/dbraw/zinc/66/26/30/432662630.db2.gz AUABVDFPTQQDHP-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158911122 432662634 /nfs/dbraw/zinc/66/26/34/432662634.db2.gz AUABVDFPTQQDHP-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158911122 432662640 /nfs/dbraw/zinc/66/26/40/432662640.db2.gz AUABVDFPTQQDHP-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158942024 432665189 /nfs/dbraw/zinc/66/51/89/432665189.db2.gz VBVLNVNDTNLRLT-MSOLQXFVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158942024 432665195 /nfs/dbraw/zinc/66/51/95/432665195.db2.gz VBVLNVNDTNLRLT-MSOLQXFVSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158942024 432665198 /nfs/dbraw/zinc/66/51/98/432665198.db2.gz VBVLNVNDTNLRLT-MSOLQXFVSA-N 2 1 302.462 3.098 20 0 DGADMP C[C@H]([NH2+]CCc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740466 432703893 /nfs/dbraw/zinc/70/38/93/432703893.db2.gz AALJIHYMYYQWLY-PXNSSMCTSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH2+]CCc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740463 432704247 /nfs/dbraw/zinc/70/42/47/432704247.db2.gz AALJIHYMYYQWLY-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274803217 432709877 /nfs/dbraw/zinc/70/98/77/432709877.db2.gz VXEKIVHCSGEXKO-UHOSZYNNSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870411 432718182 /nfs/dbraw/zinc/71/81/82/432718182.db2.gz FMNFWVHENQPHCZ-KFKAGJAMSA-N 2 1 324.472 3.287 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870411 432718186 /nfs/dbraw/zinc/71/81/86/432718186.db2.gz FMNFWVHENQPHCZ-KFKAGJAMSA-N 2 1 324.472 3.287 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259112 432723977 /nfs/dbraw/zinc/72/39/77/432723977.db2.gz JMIHKUPMJJIDHA-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259112 432723981 /nfs/dbraw/zinc/72/39/81/432723981.db2.gz JMIHKUPMJJIDHA-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1 ZINC000275259112 432723984 /nfs/dbraw/zinc/72/39/84/432723984.db2.gz JMIHKUPMJJIDHA-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)cc1 ZINC000275259112 432723987 /nfs/dbraw/zinc/72/39/87/432723987.db2.gz JMIHKUPMJJIDHA-WFASDCNBSA-N 2 1 311.267 3.221 20 0 DGADMP CCn1nc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000274475881 432671995 /nfs/dbraw/zinc/67/19/95/432671995.db2.gz WQTNNWGUQNAIME-INIZCTEOSA-N 2 1 314.477 3.266 20 0 DGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159201835 432673836 /nfs/dbraw/zinc/67/38/36/432673836.db2.gz DNBUOONSCNMEGN-INIZCTEOSA-N 2 1 320.477 3.237 20 0 DGADMP CCC[NH+]1CCC(NCc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000177976483 432680014 /nfs/dbraw/zinc/68/00/14/432680014.db2.gz FFKLLKODGBHFFX-UHFFFAOYSA-N 2 1 317.521 3.491 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000177976483 432680018 /nfs/dbraw/zinc/68/00/18/432680018.db2.gz FFKLLKODGBHFFX-UHFFFAOYSA-N 3 1 317.521 3.491 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000177976483 432680022 /nfs/dbraw/zinc/68/00/22/432680022.db2.gz FFKLLKODGBHFFX-UHFFFAOYSA-N 3 1 317.521 3.491 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000178035239 432686173 /nfs/dbraw/zinc/68/61/73/432686173.db2.gz VXGUBYLQWWSZRU-JTDSTZFVSA-N 2 1 302.462 3.153 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036077 432686812 /nfs/dbraw/zinc/68/68/12/432686812.db2.gz AGGOMNFWYCTCPI-WWNBULGVSA-N 2 1 316.489 3.399 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000178703175 432768210 /nfs/dbraw/zinc/76/82/10/432768210.db2.gz VSBHBHSGPDKPOS-JKSUJKDBSA-N 3 1 323.444 3.364 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000178696583 432768222 /nfs/dbraw/zinc/76/82/22/432768222.db2.gz BXLKNNXYTJNEMT-UONOGXRCSA-N 2 1 317.433 3.196 20 0 DGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236981884 432775049 /nfs/dbraw/zinc/77/50/49/432775049.db2.gz ZPFSCZXYMQDDKD-RKVPGOIHSA-N 2 1 317.477 3.230 20 0 DGADMP C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1Br ZINC000161450402 432779812 /nfs/dbraw/zinc/77/98/12/432779812.db2.gz RXIHVZIYHHIUPG-JTQLQIEISA-N 2 1 315.230 3.333 20 0 DGADMP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000237162924 432779983 /nfs/dbraw/zinc/77/99/83/432779983.db2.gz AMFKIYHEIMSJOI-QUCCMNQESA-N 2 1 316.489 3.444 20 0 DGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000275663591 432739717 /nfs/dbraw/zinc/73/97/17/432739717.db2.gz XVYIYHIGXPKIDZ-FHWLQOOXSA-N 2 1 309.457 3.447 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358333 432739764 /nfs/dbraw/zinc/73/97/64/432739764.db2.gz FCGBQZBHAMOAOA-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358333 432739767 /nfs/dbraw/zinc/73/97/67/432739767.db2.gz FCGBQZBHAMOAOA-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000178472671 432741303 /nfs/dbraw/zinc/74/13/03/432741303.db2.gz MZLHOHJNJALGEF-LALPHHSUSA-N 2 1 316.367 3.404 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccs3)CC2)nc(C)[nH+]1 ZINC000162244535 432816843 /nfs/dbraw/zinc/81/68/43/432816843.db2.gz FBBMYJRXYHCVRF-CYBMUJFWSA-N 2 1 316.474 3.475 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000276641504 432823707 /nfs/dbraw/zinc/82/37/07/432823707.db2.gz QUGIFJSBCUJZOM-INIZCTEOSA-N 2 1 303.450 3.119 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000276608854 432823831 /nfs/dbraw/zinc/82/38/31/432823831.db2.gz CFJQPZUAUPDIEI-OAHLLOKOSA-N 2 1 317.477 3.418 20 0 DGADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000162561482 432827202 /nfs/dbraw/zinc/82/72/02/432827202.db2.gz OQHRZIODGIZUJV-GFCCVEGCSA-N 2 1 316.342 3.418 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277272273 432833541 /nfs/dbraw/zinc/83/35/41/432833541.db2.gz RSCQNYNYYBWQQR-INIZCTEOSA-N 2 1 323.868 3.085 20 0 DGADMP CCCC[C@H](C[NH3+])NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000162830854 432835183 /nfs/dbraw/zinc/83/51/83/432835183.db2.gz GGTFLNWYVLGBEF-GOSISDBHSA-N 2 1 319.493 3.164 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916610 432838251 /nfs/dbraw/zinc/83/82/51/432838251.db2.gz OXBXNBMPVKECLD-FUHIMQAGSA-N 3 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916610 432838254 /nfs/dbraw/zinc/83/82/54/432838254.db2.gz OXBXNBMPVKECLD-FUHIMQAGSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916610 432838256 /nfs/dbraw/zinc/83/82/56/432838256.db2.gz OXBXNBMPVKECLD-FUHIMQAGSA-N 2 1 315.505 3.101 20 0 DGADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916610 432838259 /nfs/dbraw/zinc/83/82/59/432838259.db2.gz OXBXNBMPVKECLD-FUHIMQAGSA-N 2 1 315.505 3.101 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000161595635 432787570 /nfs/dbraw/zinc/78/75/70/432787570.db2.gz UKMBMVZMXJIXCT-RYQLBKOJSA-N 2 1 302.462 3.233 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788662 432862859 /nfs/dbraw/zinc/86/28/59/432862859.db2.gz ZWQWIULLQJEMKM-AKHDSKFASA-N 2 1 302.462 3.197 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000277659290 432867638 /nfs/dbraw/zinc/86/76/38/432867638.db2.gz ZQLHHYYCLDFFEB-KRWDZBQOSA-N 2 1 318.461 3.248 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000277659290 432867639 /nfs/dbraw/zinc/86/76/39/432867639.db2.gz ZQLHHYYCLDFFEB-KRWDZBQOSA-N 2 1 318.461 3.248 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000245895843 432867831 /nfs/dbraw/zinc/86/78/31/432867831.db2.gz DOIWMMBWASIBOH-CRAIPNDOSA-N 2 1 321.896 3.113 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000245942027 432871548 /nfs/dbraw/zinc/87/15/48/432871548.db2.gz JXPLZOIJOZLPJY-CVEARBPZSA-N 2 1 312.498 3.064 20 0 DGADMP CC(C)Oc1ccccc1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277846676 432878327 /nfs/dbraw/zinc/87/83/27/432878327.db2.gz MHLFEOYKNAKOOO-KRWDZBQOSA-N 2 1 320.477 3.064 20 0 DGADMP CC(C)Oc1ccccc1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000277846676 432878329 /nfs/dbraw/zinc/87/83/29/432878329.db2.gz MHLFEOYKNAKOOO-KRWDZBQOSA-N 2 1 320.477 3.064 20 0 DGADMP C/C(=C\c1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277954337 432879528 /nfs/dbraw/zinc/87/95/28/432879528.db2.gz RQOUDZVAXNSOSJ-UWXVCKHVSA-N 2 1 302.462 3.180 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278397643 432893675 /nfs/dbraw/zinc/89/36/75/432893675.db2.gz FLAMNLOQPLOLDL-RACLHMPKSA-N 2 1 314.473 3.197 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000277344992 432840726 /nfs/dbraw/zinc/84/07/26/432840726.db2.gz WHHYTJRJTHKJII-CQSZACIVSA-N 2 1 323.868 3.085 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000268101930 432844585 /nfs/dbraw/zinc/84/45/85/432844585.db2.gz KWCRYDKXKCAMEJ-VQTJNVASSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000245574349 432845751 /nfs/dbraw/zinc/84/57/51/432845751.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000245574349 432845754 /nfs/dbraw/zinc/84/57/54/432845754.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000245574349 432845756 /nfs/dbraw/zinc/84/57/56/432845756.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000245574349 432845757 /nfs/dbraw/zinc/84/57/57/432845757.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000245574349 432845759 /nfs/dbraw/zinc/84/57/59/432845759.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000245574349 432845760 /nfs/dbraw/zinc/84/57/60/432845760.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000245574349 432845762 /nfs/dbraw/zinc/84/57/62/432845762.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 2 1 321.553 3.447 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)[C@@H](C)C1 ZINC000245606306 432849736 /nfs/dbraw/zinc/84/97/36/432849736.db2.gz RGECXNJOKIHKIU-GUYCJALGSA-N 2 1 308.416 3.316 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000245621925 432850534 /nfs/dbraw/zinc/85/05/34/432850534.db2.gz PMVQCBKXSWDGDV-NXWXRZEISA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000245621925 432850536 /nfs/dbraw/zinc/85/05/36/432850536.db2.gz PMVQCBKXSWDGDV-NXWXRZEISA-N 2 1 316.489 3.443 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000163549700 432855505 /nfs/dbraw/zinc/85/55/05/432855505.db2.gz CGTNNJPMBRZYEM-YLJYHZDGSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000163549700 432855508 /nfs/dbraw/zinc/85/55/08/432855508.db2.gz CGTNNJPMBRZYEM-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000163549700 432855511 /nfs/dbraw/zinc/85/55/11/432855511.db2.gz CGTNNJPMBRZYEM-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)[C@H](C)C1 ZINC000163549700 432855513 /nfs/dbraw/zinc/85/55/13/432855513.db2.gz CGTNNJPMBRZYEM-YLJYHZDGSA-N 2 1 317.521 3.348 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245683563 432855901 /nfs/dbraw/zinc/85/59/01/432855901.db2.gz UQYHDVUROYUXNO-FGTMMUONSA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245683563 432855902 /nfs/dbraw/zinc/85/59/02/432855902.db2.gz UQYHDVUROYUXNO-FGTMMUONSA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245683563 432855905 /nfs/dbraw/zinc/85/59/05/432855905.db2.gz UQYHDVUROYUXNO-FGTMMUONSA-N 2 1 320.477 3.432 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000289129032 432925685 /nfs/dbraw/zinc/92/56/85/432925685.db2.gz DUZCOSOMSGYTPL-MRXNPFEDSA-N 2 1 304.409 3.038 20 0 DGADMP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000279038482 432928422 /nfs/dbraw/zinc/92/84/22/432928422.db2.gz WZMONPZVHYNAPT-OLZOCXBDSA-N 2 1 304.463 3.376 20 0 DGADMP C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCc1c[nH+]cn1C ZINC000289253339 432938622 /nfs/dbraw/zinc/93/86/22/432938622.db2.gz BQHNFYAJSSIJRG-GUYCJALGSA-N 2 1 319.836 3.078 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCSC2)C3)cc1 ZINC000278795676 432901623 /nfs/dbraw/zinc/90/16/23/432901623.db2.gz QTVLPLLEUWTPRT-FJIDUMEYSA-N 2 1 302.487 3.277 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297301066 432989131 /nfs/dbraw/zinc/98/91/31/432989131.db2.gz AAPIXXVHZNZTLZ-UHFFFAOYSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000297301066 432989136 /nfs/dbraw/zinc/98/91/36/432989136.db2.gz AAPIXXVHZNZTLZ-UHFFFAOYSA-N 2 1 315.505 3.245 20 0 DGADMP Cn1c[nH+]c2cc(NC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000297641367 433001040 /nfs/dbraw/zinc/00/10/40/433001040.db2.gz MRENQQBNFGYHJI-UHFFFAOYSA-N 2 1 307.401 3.049 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000289448722 432961654 /nfs/dbraw/zinc/96/16/54/432961654.db2.gz MZQLDMBXWVPJRB-UHFFFAOYSA-N 2 1 316.392 3.070 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000289448722 432961656 /nfs/dbraw/zinc/96/16/56/432961656.db2.gz MZQLDMBXWVPJRB-UHFFFAOYSA-N 2 1 316.392 3.070 20 0 DGADMP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341254022 433005474 /nfs/dbraw/zinc/00/54/74/433005474.db2.gz DUCJMYXEXWYUOE-HKUYNNGSSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290198095 433010507 /nfs/dbraw/zinc/01/05/07/433010507.db2.gz SXKMYYLCSDQTHK-HKUYNNGSSA-N 2 1 314.473 3.155 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1OC ZINC000290419795 433048436 /nfs/dbraw/zinc/04/84/36/433048436.db2.gz KOUSOAHYYNNDTQ-QAPCUYQASA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290419795 433048443 /nfs/dbraw/zinc/04/84/43/433048443.db2.gz KOUSOAHYYNNDTQ-QAPCUYQASA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290419795 433048450 /nfs/dbraw/zinc/04/84/50/433048450.db2.gz KOUSOAHYYNNDTQ-QAPCUYQASA-N 2 1 320.477 3.004 20 0 DGADMP CCOCc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000290419795 433048455 /nfs/dbraw/zinc/04/84/55/433048455.db2.gz KOUSOAHYYNNDTQ-QAPCUYQASA-N 2 1 320.477 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425281 433050645 /nfs/dbraw/zinc/05/06/45/433050645.db2.gz LAYMWJDLJQJUJZ-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425281 433050654 /nfs/dbraw/zinc/05/06/54/433050654.db2.gz LAYMWJDLJQJUJZ-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425281 433050657 /nfs/dbraw/zinc/05/06/57/433050657.db2.gz LAYMWJDLJQJUJZ-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425281 433050662 /nfs/dbraw/zinc/05/06/62/433050662.db2.gz LAYMWJDLJQJUJZ-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425281 433050663 /nfs/dbraw/zinc/05/06/63/433050663.db2.gz LAYMWJDLJQJUJZ-PBHICJAKSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1CC2(C[N@@H+]1Cc1noc(C3CCCCC3)n1)CC[NH2+]CC2 ZINC000333368033 433050856 /nfs/dbraw/zinc/05/08/56/433050856.db2.gz FBEVYGUZIXEJRY-CQSZACIVSA-N 2 1 318.465 3.081 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1noc(C3CCCCC3)n1)CC[NH2+]CC2 ZINC000333368033 433050861 /nfs/dbraw/zinc/05/08/61/433050861.db2.gz FBEVYGUZIXEJRY-CQSZACIVSA-N 2 1 318.465 3.081 20 0 DGADMP Cc1ccc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)ccc2n1 ZINC000290430383 433050978 /nfs/dbraw/zinc/05/09/78/433050978.db2.gz LGFIALFPKVEUHW-UYAOXDASSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)ccc2n1 ZINC000290430383 433050979 /nfs/dbraw/zinc/05/09/79/433050979.db2.gz LGFIALFPKVEUHW-UYAOXDASSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)ccc2n1 ZINC000290430383 433050984 /nfs/dbraw/zinc/05/09/84/433050984.db2.gz LGFIALFPKVEUHW-UYAOXDASSA-N 2 1 309.457 3.459 20 0 DGADMP CCN(CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000155856314 292718244 /nfs/dbraw/zinc/71/82/44/292718244.db2.gz WVDWONADMYFLIW-OAHLLOKOSA-N 2 1 312.461 3.316 20 0 DGADMP c1ccc(N2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000280504349 433065131 /nfs/dbraw/zinc/06/51/31/433065131.db2.gz GKXOXKQEDPTEMQ-AZUAARDMSA-N 2 1 313.489 3.119 20 0 DGADMP Cc1cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C2CC2)n1 ZINC000341491104 433090652 /nfs/dbraw/zinc/09/06/52/433090652.db2.gz CWXYMMDBWMNWDT-CRAIPNDOSA-N 2 1 322.456 3.910 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]3C)sc2C1 ZINC000341495188 433092943 /nfs/dbraw/zinc/09/29/43/433092943.db2.gz YGBFWXAMPLYVTK-ZIAGYGMSSA-N 2 1 307.507 3.435 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]3C)sc2C1 ZINC000341495188 433092952 /nfs/dbraw/zinc/09/29/52/433092952.db2.gz YGBFWXAMPLYVTK-ZIAGYGMSSA-N 2 1 307.507 3.435 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280576634 433094052 /nfs/dbraw/zinc/09/40/52/433094052.db2.gz HDNDXSIYLKTKNE-UHFFFAOYSA-N 2 1 321.428 3.144 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000446748500 433098901 /nfs/dbraw/zinc/09/89/01/433098901.db2.gz PUEYCRIAQZAXDT-AABGKKOBSA-N 2 1 316.489 3.444 20 0 DGADMP CCOc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1O ZINC000298401567 433123404 /nfs/dbraw/zinc/12/34/04/433123404.db2.gz JLSFEJGGRDTMSP-UHFFFAOYSA-N 2 1 306.450 3.001 20 0 DGADMP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2c(Br)cccc12 ZINC000420211673 433125806 /nfs/dbraw/zinc/12/58/06/433125806.db2.gz SYJRSBHXXYTYLK-SNVBAGLBSA-N 2 1 308.223 3.265 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1O ZINC000290653944 433128370 /nfs/dbraw/zinc/12/83/70/433128370.db2.gz KFVYBCJBYFLMGV-CVEARBPZSA-N 2 1 320.477 3.419 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000290653944 433128374 /nfs/dbraw/zinc/12/83/74/433128374.db2.gz KFVYBCJBYFLMGV-CVEARBPZSA-N 2 1 320.477 3.419 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000453377873 433134677 /nfs/dbraw/zinc/13/46/77/433134677.db2.gz ZEWIVBWUXSCCSA-HNSVSWJLSA-N 2 1 318.461 3.288 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)[C@H]1C ZINC000354535827 433135015 /nfs/dbraw/zinc/13/50/15/433135015.db2.gz CTMCDKQVRDYJDC-XSLAGTTESA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)[C@H]1C ZINC000354535827 433135023 /nfs/dbraw/zinc/13/50/23/433135023.db2.gz CTMCDKQVRDYJDC-XSLAGTTESA-N 2 1 324.509 3.064 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000350331743 433136505 /nfs/dbraw/zinc/13/65/05/433136505.db2.gz RFOGUVLPTOWEAA-KRWDZBQOSA-N 2 1 322.518 3.211 20 0 DGADMP Brc1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420298122 433147779 /nfs/dbraw/zinc/14/77/79/433147779.db2.gz GTVXZKREIGSKKA-ZDUSSCGKSA-N 2 1 323.278 3.197 20 0 DGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000420299526 433147827 /nfs/dbraw/zinc/14/78/27/433147827.db2.gz GSWHDFQNXZJOQA-CYBMUJFWSA-N 2 1 311.267 3.271 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccccc2F)cc1 ZINC000420295924 433150709 /nfs/dbraw/zinc/15/07/09/433150709.db2.gz BDUBTWPWEDAREC-INIZCTEOSA-N 2 1 302.393 3.009 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000420295924 433150716 /nfs/dbraw/zinc/15/07/16/433150716.db2.gz BDUBTWPWEDAREC-INIZCTEOSA-N 2 1 302.393 3.009 20 0 DGADMP CCC(CC)n1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000446763781 433104696 /nfs/dbraw/zinc/10/46/96/433104696.db2.gz YYBGREBYDYPMCT-UHFFFAOYSA-N 2 1 306.498 3.408 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420300093 433156359 /nfs/dbraw/zinc/15/63/59/433156359.db2.gz HCQAZYAIVOKRQA-HBMCJLEFSA-N 2 1 324.468 3.063 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403506 433157228 /nfs/dbraw/zinc/15/72/28/433157228.db2.gz OOXJUGBPYLUXFP-XLIONFOSSA-N 3 1 321.553 3.494 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000420319468 433158112 /nfs/dbraw/zinc/15/81/12/433158112.db2.gz ADPHOBORJPMOHR-SJORKVTESA-N 2 1 311.429 3.163 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000453401649 433159575 /nfs/dbraw/zinc/15/95/75/433159575.db2.gz ZFTCYXDJHJAAIL-SUJAAXHWSA-N 2 1 308.491 3.287 20 0 DGADMP c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000420321076 433164449 /nfs/dbraw/zinc/16/44/49/433164449.db2.gz CGFSTTPIYNLXES-IRXDYDNUSA-N 2 1 311.429 3.163 20 0 DGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1C ZINC000425323230 433164608 /nfs/dbraw/zinc/16/46/08/433164608.db2.gz IQYVWHUQPKSNSP-INIZCTEOSA-N 2 1 318.852 3.477 20 0 DGADMP C[C@H]1C[C@H](CC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@@H](C)C1 ZINC000420330133 433165021 /nfs/dbraw/zinc/16/50/21/433165021.db2.gz PLIDTFUYKVLLME-VSZNYVQBSA-N 2 1 308.510 3.136 20 0 DGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1OC(F)(F)F ZINC000420324598 433165090 /nfs/dbraw/zinc/16/50/90/433165090.db2.gz VTQGMIMOXKQJKI-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP c1cc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)co1 ZINC000420324992 433165731 /nfs/dbraw/zinc/16/57/31/433165731.db2.gz HTOPCVLUWATARL-KBPBESRZSA-N 2 1 317.458 3.225 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2sccc2C)cc1 ZINC000420322248 433167775 /nfs/dbraw/zinc/16/77/75/433167775.db2.gz SGPLWNNCVVYRSY-OAHLLOKOSA-N 2 1 304.459 3.239 20 0 DGADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]2CCc2ccccc2)n1C ZINC000425328480 433167951 /nfs/dbraw/zinc/16/79/51/433167951.db2.gz RMMXHYDHFZWQDM-KRWDZBQOSA-N 2 1 312.461 3.083 20 0 DGADMP CCOc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccc1O ZINC000298535143 433169925 /nfs/dbraw/zinc/16/99/25/433169925.db2.gz SLBSGXUUHMKTFG-MRXNPFEDSA-N 2 1 320.477 3.393 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334433 433171608 /nfs/dbraw/zinc/17/16/08/433171608.db2.gz UKZSUSMFZDGJRG-MSOLQXFVSA-N 2 1 302.462 3.085 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000420357544 433178602 /nfs/dbraw/zinc/17/86/02/433178602.db2.gz IDIBNFKGOPBRPG-INIZCTEOSA-N 2 1 323.868 3.166 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccccc1C(F)(F)F ZINC000420365409 433181706 /nfs/dbraw/zinc/18/17/06/433181706.db2.gz PZMWZAWKRBKRNF-CYBMUJFWSA-N 2 1 304.356 3.047 20 0 DGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000420375810 433185137 /nfs/dbraw/zinc/18/51/37/433185137.db2.gz PTHJASGRVSSADH-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000298589752 433185953 /nfs/dbraw/zinc/18/59/53/433185953.db2.gz RQILYCFJNBXDAK-GOSISDBHSA-N 2 1 315.461 3.281 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@@H](O)c1ccccc1 ZINC000298589752 433185962 /nfs/dbraw/zinc/18/59/62/433185962.db2.gz RQILYCFJNBXDAK-GOSISDBHSA-N 2 1 315.461 3.281 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420374995 433186272 /nfs/dbraw/zinc/18/62/72/433186272.db2.gz OMTLMWRNWBQTEA-KDOFPFPSSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000420374995 433186280 /nfs/dbraw/zinc/18/62/80/433186280.db2.gz OMTLMWRNWBQTEA-KDOFPFPSSA-N 2 1 322.880 3.492 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378811 433186683 /nfs/dbraw/zinc/18/66/83/433186683.db2.gz BMGPPIMFRGRDRB-ZFWWWQNUSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378811 433186690 /nfs/dbraw/zinc/18/66/90/433186690.db2.gz BMGPPIMFRGRDRB-ZFWWWQNUSA-N 2 1 310.388 3.252 20 0 DGADMP Brc1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000420381532 433193128 /nfs/dbraw/zinc/19/31/28/433193128.db2.gz XOKIYDGVVQTCCN-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374534025 433214822 /nfs/dbraw/zinc/21/48/22/433214822.db2.gz CNKBHYQOKVSCTH-GOSISDBHSA-N 2 1 304.478 3.303 20 0 DGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374534025 433214830 /nfs/dbraw/zinc/21/48/30/433214830.db2.gz CNKBHYQOKVSCTH-GOSISDBHSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@@H+](CCCC[NH2+]CCCc1ccc2c(c1)CCO2)C1CC1 ZINC000453590095 433219080 /nfs/dbraw/zinc/21/90/80/433219080.db2.gz AKXYDBJFNWAXQN-UHFFFAOYSA-N 2 1 302.462 3.018 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000291080429 433221348 /nfs/dbraw/zinc/22/13/48/433221348.db2.gz BYCWBYKIGHDJJH-PWIZWCRZSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000291080429 433221358 /nfs/dbraw/zinc/22/13/58/433221358.db2.gz BYCWBYKIGHDJJH-PWIZWCRZSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1sccc1Br)C1CC1 ZINC000453595635 433225286 /nfs/dbraw/zinc/22/52/86/433225286.db2.gz KHMGXJVXJNWYIC-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCOCC1 ZINC000374608139 433232845 /nfs/dbraw/zinc/23/28/45/433232845.db2.gz ZWJCLTURMYQTBS-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCOCC1 ZINC000374608139 433232850 /nfs/dbraw/zinc/23/28/50/433232850.db2.gz ZWJCLTURMYQTBS-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP CCOC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374601227 433235052 /nfs/dbraw/zinc/23/50/52/433235052.db2.gz GZIWVGCLMDKWGG-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP CCOC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374601227 433235060 /nfs/dbraw/zinc/23/50/60/433235060.db2.gz GZIWVGCLMDKWGG-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP CCC[N@H+](C)Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000350635407 433239049 /nfs/dbraw/zinc/23/90/49/433239049.db2.gz LBNLYAPOOXGJNW-UHFFFAOYSA-N 2 1 314.433 3.174 20 0 DGADMP CCC[N@@H+](C)Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000350635407 433239061 /nfs/dbraw/zinc/23/90/61/433239061.db2.gz LBNLYAPOOXGJNW-UHFFFAOYSA-N 2 1 314.433 3.174 20 0 DGADMP CCc1nc(C)cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000341736623 433242356 /nfs/dbraw/zinc/24/23/56/433242356.db2.gz XEGUVDTUVIQPSB-XHSDSOJGSA-N 2 1 302.466 3.189 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458525 433248497 /nfs/dbraw/zinc/24/84/97/433248497.db2.gz MYGMHFZACKHMSD-OXJNMPFZSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000425458525 433248508 /nfs/dbraw/zinc/24/85/08/433248508.db2.gz MYGMHFZACKHMSD-OXJNMPFZSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000425458525 433248515 /nfs/dbraw/zinc/24/85/15/433248515.db2.gz MYGMHFZACKHMSD-OXJNMPFZSA-N 2 1 316.489 3.447 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000425458525 433248526 /nfs/dbraw/zinc/24/85/26/433248526.db2.gz MYGMHFZACKHMSD-OXJNMPFZSA-N 2 1 316.489 3.447 20 0 DGADMP Cc1[nH+]ccn1CCCNc1cc(C(C)C)nc(C(C)C)n1 ZINC000337796510 433261190 /nfs/dbraw/zinc/26/11/90/433261190.db2.gz GIMNFNGEYJWPPH-UHFFFAOYSA-N 2 1 301.438 3.731 20 0 DGADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918007 433314641 /nfs/dbraw/zinc/31/46/41/433314641.db2.gz UWBIFUKPMSYHQK-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918007 433314649 /nfs/dbraw/zinc/31/46/49/433314649.db2.gz UWBIFUKPMSYHQK-VQIMIIECSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]([NH2+]CCCO[C@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338294244 433286740 /nfs/dbraw/zinc/28/67/40/433286740.db2.gz XWBPJFRKRLYXBV-LNLFQRSKSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C)OCc2ccccc2)CC1 ZINC000354842040 433307922 /nfs/dbraw/zinc/30/79/22/433307922.db2.gz AVVPOQBNVXRRQO-QGZVFWFLSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C)OCc2ccccc2)CC1 ZINC000354842040 433307931 /nfs/dbraw/zinc/30/79/31/433307931.db2.gz AVVPOQBNVXRRQO-QGZVFWFLSA-N 2 1 304.478 3.398 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000375095158 433358263 /nfs/dbraw/zinc/35/82/63/433358263.db2.gz UVUQJMQZSVBIEK-CQSZACIVSA-N 2 1 305.372 3.349 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000375095158 433358273 /nfs/dbraw/zinc/35/82/73/433358273.db2.gz UVUQJMQZSVBIEK-CQSZACIVSA-N 2 1 305.372 3.349 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C2 ZINC000425923784 433373700 /nfs/dbraw/zinc/37/37/00/433373700.db2.gz UBSZTHLNMBTFAJ-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP CSCC[C@@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420933378 433332609 /nfs/dbraw/zinc/33/26/09/433332609.db2.gz IKMQAIPTIWNCSN-MRXNPFEDSA-N 2 1 322.518 3.092 20 0 DGADMP CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420933378 433332618 /nfs/dbraw/zinc/33/26/18/433332618.db2.gz IKMQAIPTIWNCSN-MRXNPFEDSA-N 2 1 322.518 3.092 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361671668 433335152 /nfs/dbraw/zinc/33/51/52/433335152.db2.gz VCRHGLOMGOWQLN-ZSZQSSIHSA-N 2 1 302.462 3.045 20 0 DGADMP CC(C)CCOCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354875080 433335400 /nfs/dbraw/zinc/33/54/00/433335400.db2.gz KDPPPJYKFLHGFQ-UHFFFAOYSA-N 2 1 319.493 3.293 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339067352 433336788 /nfs/dbraw/zinc/33/67/88/433336788.db2.gz GRIGWXMULUVHER-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339067352 433336797 /nfs/dbraw/zinc/33/67/97/433336797.db2.gz GRIGWXMULUVHER-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000341891173 433339887 /nfs/dbraw/zinc/33/98/87/433339887.db2.gz HNBIAFQBPWFYNM-ZWKOTPCHSA-N 2 1 317.521 3.348 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000425930529 433377403 /nfs/dbraw/zinc/37/74/03/433377403.db2.gz IMPBUXSKMMEFLQ-NWDGAFQWSA-N 2 1 304.356 3.434 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339068861 433342754 /nfs/dbraw/zinc/34/27/54/433342754.db2.gz IAVXBQMBSYBGLZ-YRXWBPOGSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339068861 433342762 /nfs/dbraw/zinc/34/27/62/433342762.db2.gz IAVXBQMBSYBGLZ-YRXWBPOGSA-N 2 1 300.446 3.123 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000421015843 433385709 /nfs/dbraw/zinc/38/57/09/433385709.db2.gz LFTSPYBMQVTJMQ-IXDOHACOSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000421015843 433385717 /nfs/dbraw/zinc/38/57/17/433385717.db2.gz LFTSPYBMQVTJMQ-IXDOHACOSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000421015843 433385725 /nfs/dbraw/zinc/38/57/25/433385725.db2.gz LFTSPYBMQVTJMQ-IXDOHACOSA-N 2 1 324.509 3.161 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@H](C)C1 ZINC000361816332 433402662 /nfs/dbraw/zinc/40/26/62/433402662.db2.gz XVZNMEBSTNUMRG-KGLIPLIRSA-N 2 1 310.404 3.056 20 0 DGADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1CC1(C)C ZINC000414115960 433405105 /nfs/dbraw/zinc/40/51/05/433405105.db2.gz PZRDFKWDKHVWRX-DLBZAZTESA-N 2 1 316.493 3.477 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)C[NH+]1CCCCCC1)C2 ZINC000426033056 433406677 /nfs/dbraw/zinc/40/66/77/433406677.db2.gz AWJVEJSKHUQUAN-SJLPKXTDSA-N 2 1 316.489 3.407 20 0 DGADMP CCN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355016862 433415498 /nfs/dbraw/zinc/41/54/98/433415498.db2.gz UFHZXZOCZNLMDR-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355016862 433415504 /nfs/dbraw/zinc/41/55/04/433415504.db2.gz UFHZXZOCZNLMDR-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355016862 433415513 /nfs/dbraw/zinc/41/55/13/433415513.db2.gz UFHZXZOCZNLMDR-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000414174978 433440070 /nfs/dbraw/zinc/44/00/70/433440070.db2.gz HWGKIVVDFJVZLP-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000414176462 433440317 /nfs/dbraw/zinc/44/03/17/433440317.db2.gz IESVIQMRUYMHTL-PXNSSMCTSA-N 2 1 324.472 3.082 20 0 DGADMP COc1ncc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414177919 433442487 /nfs/dbraw/zinc/44/24/87/433442487.db2.gz JHVAZDKHYUHJFN-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000414176460 433442800 /nfs/dbraw/zinc/44/28/00/433442800.db2.gz IESVIQMRUYMHTL-FXAWDEMLSA-N 2 1 324.472 3.082 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414186179 433450128 /nfs/dbraw/zinc/45/01/28/433450128.db2.gz PDFCWPIPFUSFTJ-HOTGVXAUSA-N 2 1 320.477 3.395 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000355077260 433450807 /nfs/dbraw/zinc/45/08/07/433450807.db2.gz FVWGFZQXXHLKKS-QGZVFWFLSA-N 2 1 315.505 3.449 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414194004 433454264 /nfs/dbraw/zinc/45/42/64/433454264.db2.gz UGUOERDQTMHFJQ-CZUORRHYSA-N 2 1 306.425 3.143 20 0 DGADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042208 290030142 /nfs/dbraw/zinc/03/01/42/290030142.db2.gz KNRCSRXHSVMAHQ-IQGAEYHTSA-N 2 1 313.489 3.374 20 0 DGADMP COCC[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414212491 433468049 /nfs/dbraw/zinc/46/80/49/433468049.db2.gz WQPYQGNYSGMQGV-AFYVEPGGSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414226319 433470102 /nfs/dbraw/zinc/47/01/02/433470102.db2.gz BVXKHFADICQDIC-CZUORRHYSA-N 2 1 308.416 3.316 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@@H]1c1ccccc1 ZINC000340268142 290223997 /nfs/dbraw/zinc/22/39/97/290223997.db2.gz VLHRCSIQKSOPEV-OMZCGLGVSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@@H]1c1ccccc1 ZINC000340268142 290223999 /nfs/dbraw/zinc/22/39/99/290223999.db2.gz VLHRCSIQKSOPEV-OMZCGLGVSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262563357 290238737 /nfs/dbraw/zinc/23/87/37/290238737.db2.gz WBEFXZXEDSFOKF-DZGBDDFRSA-N 2 1 314.351 3.315 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC000342106122 433474182 /nfs/dbraw/zinc/47/41/82/433474182.db2.gz OVGAFSBJJJOWPB-XNRPHZJLSA-N 2 1 315.392 3.040 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]21 ZINC000342106122 433474190 /nfs/dbraw/zinc/47/41/90/433474190.db2.gz OVGAFSBJJJOWPB-XNRPHZJLSA-N 2 1 315.392 3.040 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292142295 433479149 /nfs/dbraw/zinc/47/91/49/433479149.db2.gz MHGOJCNLJNODIT-QAPCUYQASA-N 2 1 317.408 3.088 20 0 DGADMP CC[N@@H+](CC1CCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000342119801 433480459 /nfs/dbraw/zinc/48/04/59/433480459.db2.gz CTXYZQIHEAKSOD-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000414280147 433510166 /nfs/dbraw/zinc/51/01/66/433510166.db2.gz KPGZHWMDDCWCKA-HPUSYDDDSA-N 2 1 316.489 3.300 20 0 DGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426506339 433518745 /nfs/dbraw/zinc/51/87/45/433518745.db2.gz DXSQMJTZCBBVNU-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000426506339 433518756 /nfs/dbraw/zinc/51/87/56/433518756.db2.gz DXSQMJTZCBBVNU-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479553 433519791 /nfs/dbraw/zinc/51/97/91/433519791.db2.gz RTGGHNYPQYRLLN-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479553 433519796 /nfs/dbraw/zinc/51/97/96/433519796.db2.gz RTGGHNYPQYRLLN-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479553 433519803 /nfs/dbraw/zinc/51/98/03/433519803.db2.gz RTGGHNYPQYRLLN-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](CC)c1ccccc1 ZINC000351479553 433519808 /nfs/dbraw/zinc/51/98/08/433519808.db2.gz RTGGHNYPQYRLLN-OALUTQOASA-N 2 1 304.478 3.305 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000414295914 433520140 /nfs/dbraw/zinc/52/01/40/433520140.db2.gz XNDGHUHHDZBANT-QGZVFWFLSA-N 2 1 324.472 3.449 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000414295914 433520147 /nfs/dbraw/zinc/52/01/47/433520147.db2.gz XNDGHUHHDZBANT-QGZVFWFLSA-N 2 1 324.472 3.449 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3cccc4ccccc43)C[C@H]12 ZINC000351479589 433521452 /nfs/dbraw/zinc/52/14/52/433521452.db2.gz SBZXYFMHRCJLHC-YTQUADARSA-N 2 1 310.441 3.278 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000351479242 433522346 /nfs/dbraw/zinc/52/23/46/433522346.db2.gz QWCGHXNRFSOBON-MISYRCLQSA-N 2 1 310.441 3.278 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351478990 433523934 /nfs/dbraw/zinc/52/39/34/433523934.db2.gz QLKYCNOWNKKJDO-HKUYNNGSSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351478990 433523940 /nfs/dbraw/zinc/52/39/40/433523940.db2.gz QLKYCNOWNKKJDO-HKUYNNGSSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351478990 433523944 /nfs/dbraw/zinc/52/39/44/433523944.db2.gz QLKYCNOWNKKJDO-HKUYNNGSSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351478990 433523952 /nfs/dbraw/zinc/52/39/52/433523952.db2.gz QLKYCNOWNKKJDO-HKUYNNGSSA-N 2 1 304.478 3.079 20 0 DGADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3ccsc32)C[C@H](C)O1 ZINC000301368420 433526059 /nfs/dbraw/zinc/52/60/59/433526059.db2.gz RJOVUVRNKAFWPI-BETUJISGSA-N 2 1 305.447 3.208 20 0 DGADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3ccsc32)C[C@H](C)O1 ZINC000301368420 433526065 /nfs/dbraw/zinc/52/60/65/433526065.db2.gz RJOVUVRNKAFWPI-BETUJISGSA-N 2 1 305.447 3.208 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](O)C(C)C ZINC000414299908 433526278 /nfs/dbraw/zinc/52/62/78/433526278.db2.gz RONQYSWKQCJBKZ-WOJBJXKFSA-N 2 1 318.505 3.079 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]21 ZINC000355203054 433530722 /nfs/dbraw/zinc/53/07/22/433530722.db2.gz WRDKSGSWUDFHJZ-WMZOPIPTSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]21 ZINC000355203054 433530732 /nfs/dbraw/zinc/53/07/32/433530732.db2.gz WRDKSGSWUDFHJZ-WMZOPIPTSA-N 2 1 314.473 3.316 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]21 ZINC000355203054 433530746 /nfs/dbraw/zinc/53/07/46/433530746.db2.gz WRDKSGSWUDFHJZ-WMZOPIPTSA-N 2 1 314.473 3.316 20 0 DGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000342157252 433506316 /nfs/dbraw/zinc/50/63/16/433506316.db2.gz FTLAUTGIXRMZNA-UFYCRDLUSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@H]1n1ccnc1 ZINC000375615386 433509552 /nfs/dbraw/zinc/50/95/52/433509552.db2.gz WPKXRXKBCQYWRJ-SJLPKXTDSA-N 2 1 305.466 3.363 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)N(C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538428 433557820 /nfs/dbraw/zinc/55/78/20/433557820.db2.gz RBZYTWRUSCTLTP-FZKQIMNGSA-N 2 1 322.880 3.321 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339411663 433564520 /nfs/dbraw/zinc/56/45/20/433564520.db2.gz BYPNRSUHVUWDEC-AWEZNQCLSA-N 2 1 300.368 3.309 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339425173 433576467 /nfs/dbraw/zinc/57/64/67/433576467.db2.gz BPBJPGLJMYAADQ-OAHLLOKOSA-N 2 1 318.440 3.394 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435053 433587422 /nfs/dbraw/zinc/58/74/22/433587422.db2.gz SWBHGPYGMKDZBN-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435053 433587434 /nfs/dbraw/zinc/58/74/34/433587434.db2.gz SWBHGPYGMKDZBN-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435053 433587440 /nfs/dbraw/zinc/58/74/40/433587440.db2.gz SWBHGPYGMKDZBN-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435053 433587453 /nfs/dbraw/zinc/58/74/53/433587453.db2.gz SWBHGPYGMKDZBN-LJQANCHMSA-N 2 1 302.462 3.100 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000282412066 433599555 /nfs/dbraw/zinc/59/95/55/433599555.db2.gz GAWSYYAVUHDCIB-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000282412066 433599560 /nfs/dbraw/zinc/59/95/60/433599560.db2.gz GAWSYYAVUHDCIB-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000342299903 433600723 /nfs/dbraw/zinc/60/07/23/433600723.db2.gz AAVMWIGPPKNRFP-QGZVFWFLSA-N 2 1 305.397 3.088 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000375907602 433610369 /nfs/dbraw/zinc/61/03/69/433610369.db2.gz YLOIBXQCFCMYBI-MRXNPFEDSA-N 2 1 316.376 3.273 20 0 DGADMP CCOc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000375907602 433610381 /nfs/dbraw/zinc/61/03/81/433610381.db2.gz YLOIBXQCFCMYBI-MRXNPFEDSA-N 2 1 316.376 3.273 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccsc1Br ZINC000282444754 433611299 /nfs/dbraw/zinc/61/12/99/433611299.db2.gz NJWWOYVRPXLCEX-JFGNBEQYSA-N 2 1 317.296 3.329 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000376100248 433661728 /nfs/dbraw/zinc/66/17/28/433661728.db2.gz AEJATXAEXJLTGM-NZSAHSFTSA-N 2 1 302.462 3.022 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000449027471 433677753 /nfs/dbraw/zinc/67/77/53/433677753.db2.gz IMZLISYZMQMTBG-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000449027471 433677761 /nfs/dbraw/zinc/67/77/61/433677761.db2.gz IMZLISYZMQMTBG-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc2c(N(C)C[C@@H]3CCC[N@@H+](C)C3)cc(C)nc12 ZINC000301686980 433678087 /nfs/dbraw/zinc/67/80/87/433678087.db2.gz UUYYUHKKCYOQGW-OAHLLOKOSA-N 2 1 313.445 3.330 20 0 DGADMP COc1cccc2c(N(C)C[C@@H]3CCC[N@H+](C)C3)cc(C)[nH+]c12 ZINC000301686980 433678100 /nfs/dbraw/zinc/67/81/00/433678100.db2.gz UUYYUHKKCYOQGW-OAHLLOKOSA-N 2 1 313.445 3.330 20 0 DGADMP COc1cccc2c(N(C)C[C@@H]3CCC[N@@H+](C)C3)cc(C)[nH+]c12 ZINC000301686980 433678109 /nfs/dbraw/zinc/67/81/09/433678109.db2.gz UUYYUHKKCYOQGW-OAHLLOKOSA-N 2 1 313.445 3.330 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000366953643 293008060 /nfs/dbraw/zinc/00/80/60/293008060.db2.gz OKUZEOHMCSQSBG-UHFFFAOYSA-N 2 1 324.472 3.385 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000367057615 293018643 /nfs/dbraw/zinc/01/86/43/293018643.db2.gz LGRGVFOTJJXYLU-ZWKOTPCHSA-N 2 1 308.510 3.437 20 0 DGADMP CC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)COC1 ZINC000362405178 433696774 /nfs/dbraw/zinc/69/67/74/433696774.db2.gz WIAIRDYYHWXAEZ-UHFFFAOYSA-N 2 1 314.473 3.011 20 0 DGADMP CO[C@@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232986 433695045 /nfs/dbraw/zinc/69/50/45/433695045.db2.gz UHJJJUYGAHWIIU-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232986 433695051 /nfs/dbraw/zinc/69/50/51/433695051.db2.gz UHJJJUYGAHWIIU-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232986 433695058 /nfs/dbraw/zinc/69/50/58/433695058.db2.gz UHJJJUYGAHWIIU-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232986 433695065 /nfs/dbraw/zinc/69/50/65/433695065.db2.gz UHJJJUYGAHWIIU-YOEHRIQHSA-N 2 1 310.869 3.301 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356783325 433696164 /nfs/dbraw/zinc/69/61/64/433696164.db2.gz LNMWJHOCUHLFTA-RAUXBKROSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356783325 433696172 /nfs/dbraw/zinc/69/61/72/433696172.db2.gz LNMWJHOCUHLFTA-RAUXBKROSA-N 2 1 316.489 3.444 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414743088 293189258 /nfs/dbraw/zinc/18/92/58/293189258.db2.gz HBFOPXJPKCZWDY-JJRVBVJISA-N 2 1 310.869 3.347 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373389809 293268838 /nfs/dbraw/zinc/26/88/38/293268838.db2.gz AIRRBHXEHZNQGG-FHWLQOOXSA-N 2 1 309.542 3.161 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCCCC3CCOCC3)C2)CC1 ZINC000374172315 293362062 /nfs/dbraw/zinc/36/20/62/293362062.db2.gz LBIGZCRPVRRSHY-UHFFFAOYSA-N 2 1 308.510 3.391 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1ccccc1Cl ZINC000374430364 293399719 /nfs/dbraw/zinc/39/97/19/293399719.db2.gz SHQWTKDBUQUMPR-NXHRZFHOSA-N 2 1 322.880 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccccc1Cl ZINC000374430364 293399721 /nfs/dbraw/zinc/39/97/21/293399721.db2.gz SHQWTKDBUQUMPR-NXHRZFHOSA-N 2 1 322.880 3.066 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000356830083 433720550 /nfs/dbraw/zinc/72/05/50/433720550.db2.gz CZTHHYONUNRHHJ-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c(F)c1 ZINC000421821758 433742455 /nfs/dbraw/zinc/74/24/55/433742455.db2.gz TXMZLJKUOJZPLB-DJJJIMSYSA-N 2 1 318.436 3.359 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421821137 433742685 /nfs/dbraw/zinc/74/26/85/433742685.db2.gz PPVUYPWZBKBQDB-HXUWFJFHSA-N 2 1 323.484 3.441 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000421820233 433743188 /nfs/dbraw/zinc/74/31/88/433743188.db2.gz LMQUNMQOKJAINH-JFIYKMOQSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000421820233 433743201 /nfs/dbraw/zinc/74/32/01/433743201.db2.gz LMQUNMQOKJAINH-JFIYKMOQSA-N 2 1 301.478 3.039 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c(F)c1 ZINC000421821760 433743249 /nfs/dbraw/zinc/74/32/49/433743249.db2.gz TXMZLJKUOJZPLB-YJYMSZOUSA-N 2 1 318.436 3.359 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)C1 ZINC000421819304 433745075 /nfs/dbraw/zinc/74/50/75/433745075.db2.gz GMJHORDXJPGGCJ-FZKQIMNGSA-N 2 1 306.425 3.217 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000351855343 433752942 /nfs/dbraw/zinc/75/29/42/433752942.db2.gz SXXJNNYXAMDTEG-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000414653073 433770609 /nfs/dbraw/zinc/77/06/09/433770609.db2.gz AMNDNEONKODSPS-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774096 433823236 /nfs/dbraw/zinc/82/32/36/433823236.db2.gz FGTBOVRPRMOSKG-UONOGXRCSA-N 2 1 308.853 3.170 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414656584 433773399 /nfs/dbraw/zinc/77/33/99/433773399.db2.gz NLLPUIUFEDBCFC-HXUWFJFHSA-N 2 1 324.468 3.479 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000414658464 433775287 /nfs/dbraw/zinc/77/52/87/433775287.db2.gz JMSFRGOQOXAEJM-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000414669010 433780485 /nfs/dbraw/zinc/78/04/85/433780485.db2.gz JWRXRUCHKLKONH-SCNOPHJPSA-N 2 1 320.452 3.072 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414667779 433781109 /nfs/dbraw/zinc/78/11/09/433781109.db2.gz YUOZRJRCDWDRJW-MBNYWOFBSA-N 2 1 300.368 3.478 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000414681670 433789559 /nfs/dbraw/zinc/78/95/59/433789559.db2.gz PRLROFUKUHTCMB-CHWSQXEVSA-N 2 1 316.367 3.405 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000283890967 433791885 /nfs/dbraw/zinc/79/18/85/433791885.db2.gz JNFRDCTVAGTUDG-UHFFFAOYSA-N 2 1 322.456 3.384 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000283890967 433791896 /nfs/dbraw/zinc/79/18/96/433791896.db2.gz JNFRDCTVAGTUDG-UHFFFAOYSA-N 2 1 322.456 3.384 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1O ZINC000449782805 433794243 /nfs/dbraw/zinc/79/42/43/433794243.db2.gz LXHPMWUFAIDQEJ-OAHLLOKOSA-N 2 1 320.477 3.186 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1O ZINC000449782805 433794250 /nfs/dbraw/zinc/79/42/50/433794250.db2.gz LXHPMWUFAIDQEJ-OAHLLOKOSA-N 2 1 320.477 3.186 20 0 DGADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000356977770 433796499 /nfs/dbraw/zinc/79/64/99/433796499.db2.gz YSYKCJIOZHXOCR-CGTJXYLNSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000356977770 433796509 /nfs/dbraw/zinc/79/65/09/433796509.db2.gz YSYKCJIOZHXOCR-CGTJXYLNSA-N 2 1 322.880 3.332 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000343340911 433799741 /nfs/dbraw/zinc/79/97/41/433799741.db2.gz KCSJBNNFCOLILW-XGXHKWSGSA-N 2 1 302.462 3.084 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000414712979 433804708 /nfs/dbraw/zinc/80/47/08/433804708.db2.gz VBSQGYIGWRCOGS-GZBFAFLISA-N 2 1 307.507 3.403 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCS2 ZINC000343464576 433810959 /nfs/dbraw/zinc/81/09/59/433810959.db2.gz OSGAFPGEHRIDRY-HEHGZKQESA-N 2 1 306.475 3.304 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCS2 ZINC000343464576 433810962 /nfs/dbraw/zinc/81/09/62/433810962.db2.gz OSGAFPGEHRIDRY-HEHGZKQESA-N 2 1 306.475 3.304 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414746565 433815100 /nfs/dbraw/zinc/81/51/00/433815100.db2.gz SHNLEJFMZRNGCZ-NXEZZACHSA-N 2 1 318.305 3.191 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000414752116 433817603 /nfs/dbraw/zinc/81/76/03/433817603.db2.gz JZIGGGDCOXSDAH-VKJFTORMSA-N 2 1 318.436 3.251 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)CCO2)cc1 ZINC000414760992 433821649 /nfs/dbraw/zinc/82/16/49/433821649.db2.gz ZQMFXVJKXPGYDJ-SUMDDJOVSA-N 2 1 302.462 3.010 20 0 DGADMP CCn1ccnc1C[N@@H+](CC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433838 433874002 /nfs/dbraw/zinc/87/40/02/433874002.db2.gz PHIYHRROACZRAP-KRWDZBQOSA-N 2 1 316.493 3.037 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774092 433825836 /nfs/dbraw/zinc/82/58/36/433825836.db2.gz FGTBOVRPRMOSKG-KBPBESRZSA-N 2 1 308.853 3.170 20 0 DGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414782064 433828580 /nfs/dbraw/zinc/82/85/80/433828580.db2.gz NYQNFHUVLWESFS-VPGVIOTPSA-N 2 1 306.400 3.300 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(OC)c2)CC1 ZINC000339866202 433830925 /nfs/dbraw/zinc/83/09/25/433830925.db2.gz MSTZQSSRPZUCMQ-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414789243 433832428 /nfs/dbraw/zinc/83/24/28/433832428.db2.gz YEWBZIWKVWEXJC-HOTGVXAUSA-N 2 1 313.420 3.195 20 0 DGADMP FC(F)Oc1ccc2ccccc2c1C[NH2+]C1CC[NH2+]CC1 ZINC000414787896 433832875 /nfs/dbraw/zinc/83/28/75/433832875.db2.gz MABUNFHKBGOUCE-UHFFFAOYSA-N 2 1 306.356 3.283 20 0 DGADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000293702090 433833364 /nfs/dbraw/zinc/83/33/64/433833364.db2.gz RPSPRIBZKQYZMZ-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000293702090 433833379 /nfs/dbraw/zinc/83/33/79/433833379.db2.gz RPSPRIBZKQYZMZ-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccccc2)n1 ZINC000293702090 433833392 /nfs/dbraw/zinc/83/33/92/433833392.db2.gz RPSPRIBZKQYZMZ-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2ccccc2)n1 ZINC000293702090 433833407 /nfs/dbraw/zinc/83/34/07/433833407.db2.gz RPSPRIBZKQYZMZ-HXUWFJFHSA-N 2 1 324.472 3.005 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000414786822 433834282 /nfs/dbraw/zinc/83/42/82/433834282.db2.gz UYHNIYVXTZLAGY-CABCVRRESA-N 2 1 314.429 3.263 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414785006 433836658 /nfs/dbraw/zinc/83/66/58/433836658.db2.gz RYEXZNHAVXTVJG-UONOGXRCSA-N 2 1 307.507 3.262 20 0 DGADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414790518 433841182 /nfs/dbraw/zinc/84/11/82/433841182.db2.gz ZZICNPPMKVBLIX-DLBZAZTESA-N 2 1 311.429 3.163 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293722818 433842436 /nfs/dbraw/zinc/84/24/36/433842436.db2.gz UEBKJZVQBCCDEC-QFBILLFUSA-N 2 1 302.462 3.216 20 0 DGADMP CN(CCC[N@@H+](C)Cc1cccc2ccccc21)CC[NH+](C)C ZINC000344062039 433842658 /nfs/dbraw/zinc/84/26/58/433842658.db2.gz NJPLEVHEOYIXGJ-UHFFFAOYSA-N 2 1 313.489 3.155 20 0 DGADMP O[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000352039433 433877874 /nfs/dbraw/zinc/87/78/74/433877874.db2.gz GFRPWWWVAYBQAC-SFTDATJTSA-N 2 1 324.468 3.017 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000376102640 293613802 /nfs/dbraw/zinc/61/38/02/293613802.db2.gz IZUDGFXXVCUGCR-MISYRCLQSA-N 2 1 316.489 3.412 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000284155816 433847954 /nfs/dbraw/zinc/84/79/54/433847954.db2.gz PNTUXYBPGDQCRA-YJBOKZPZSA-N 2 1 302.462 3.480 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414814077 433853682 /nfs/dbraw/zinc/85/36/82/433853682.db2.gz YXYWLPWCTOXPPP-SMDDNHRTSA-N 2 1 307.488 3.479 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000377331467 433857348 /nfs/dbraw/zinc/85/73/48/433857348.db2.gz TUMCHUKIDXXNHX-MOPGFXCFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000377331467 433857374 /nfs/dbraw/zinc/85/73/74/433857374.db2.gz TUMCHUKIDXXNHX-MOPGFXCFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000377331467 433857382 /nfs/dbraw/zinc/85/73/82/433857382.db2.gz TUMCHUKIDXXNHX-MOPGFXCFSA-N 2 1 307.441 3.036 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000414819064 433857935 /nfs/dbraw/zinc/85/79/35/433857935.db2.gz XQSROTGZWRALIJ-HOCLYGCPSA-N 2 1 305.466 3.073 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414818095 433858073 /nfs/dbraw/zinc/85/80/73/433858073.db2.gz USEGZEKLEUVSRB-SFHVURJKSA-N 2 1 313.445 3.268 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC000377331473 433858227 /nfs/dbraw/zinc/85/82/27/433858227.db2.gz TUMCHUKIDXXNHX-RTBURBONSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC000377331473 433858256 /nfs/dbraw/zinc/85/82/56/433858256.db2.gz TUMCHUKIDXXNHX-RTBURBONSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC000377331473 433858263 /nfs/dbraw/zinc/85/82/63/433858263.db2.gz TUMCHUKIDXXNHX-RTBURBONSA-N 2 1 307.441 3.036 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000293763464 433858518 /nfs/dbraw/zinc/85/85/18/433858518.db2.gz SGFBVUCTUIQXMZ-VXGBXAGGSA-N 2 1 316.392 3.145 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000414818736 433860141 /nfs/dbraw/zinc/86/01/41/433860141.db2.gz WLWDHAIJDNLHEQ-HZPDHXFCSA-N 2 1 305.466 3.128 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000414832530 433869029 /nfs/dbraw/zinc/86/90/29/433869029.db2.gz DSNYOQNZGISZCM-HKUYNNGSSA-N 2 1 302.462 3.050 20 0 DGADMP Clc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414837893 433872053 /nfs/dbraw/zinc/87/20/53/433872053.db2.gz WHDGBAQGNWEFNJ-JTQLQIEISA-N 2 1 317.658 3.192 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000414836443 433872379 /nfs/dbraw/zinc/87/23/79/433872379.db2.gz SLNPJNWKUCPLHJ-QMMLZNLJSA-N 2 1 323.484 3.329 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436230294 433912882 /nfs/dbraw/zinc/91/28/82/433912882.db2.gz HDDNGAYGALVANQ-GFCCVEGCSA-N 2 1 300.381 3.238 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227304 433914033 /nfs/dbraw/zinc/91/40/33/433914033.db2.gz DGEJYQUUFCJETF-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1O ZINC000414922280 433915801 /nfs/dbraw/zinc/91/58/01/433915801.db2.gz CMKRWJNQZYEHOR-KBXCAEBGSA-N 2 1 320.477 3.090 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357226447 433916812 /nfs/dbraw/zinc/91/68/12/433916812.db2.gz CLHVSQYSWGDFSQ-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP CCOCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC ZINC000422559181 433918417 /nfs/dbraw/zinc/91/84/17/433918417.db2.gz CPEQZHZVGPHHAX-DAYGRLMNSA-N 2 1 320.477 3.037 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000422561877 433918886 /nfs/dbraw/zinc/91/88/86/433918886.db2.gz NWPKLWVTPOSDQW-WZRBSPASSA-N 2 1 316.367 3.232 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000422561877 433918895 /nfs/dbraw/zinc/91/88/95/433918895.db2.gz NWPKLWVTPOSDQW-WZRBSPASSA-N 2 1 316.367 3.232 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000414934013 433921436 /nfs/dbraw/zinc/92/14/36/433921436.db2.gz XOTZVIIHPNIJJB-VXGBXAGGSA-N 2 1 317.658 3.462 20 0 DGADMP CC1([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000414939779 433923751 /nfs/dbraw/zinc/92/37/51/433923751.db2.gz JRGOBFGSVSHESC-UHFFFAOYSA-N 2 1 304.768 3.173 20 0 DGADMP c1cc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cs1 ZINC000436291391 433927679 /nfs/dbraw/zinc/92/76/79/433927679.db2.gz QNEDGZLWTBHYNV-UHFFFAOYSA-N 2 1 316.474 3.102 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000414848587 433878993 /nfs/dbraw/zinc/87/89/93/433878993.db2.gz PZWBEBYAIUEUFE-LZQZEXGQSA-N 2 1 303.494 3.130 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1CCCCC1 ZINC000414851545 433882709 /nfs/dbraw/zinc/88/27/09/433882709.db2.gz PGPKVMAYBUOCEN-CQSZACIVSA-N 2 1 316.367 3.424 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414850726 433883010 /nfs/dbraw/zinc/88/30/10/433883010.db2.gz IHQFDBICGKOZLL-QWRGUYRKSA-N 2 1 317.260 3.480 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000293836437 433888884 /nfs/dbraw/zinc/88/88/84/433888884.db2.gz XKLGRKRCRRFIBZ-GYSYKLTISA-N 2 1 316.367 3.245 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000293836437 433888895 /nfs/dbraw/zinc/88/88/95/433888895.db2.gz XKLGRKRCRRFIBZ-GYSYKLTISA-N 2 1 316.367 3.245 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414861926 433892711 /nfs/dbraw/zinc/89/27/11/433892711.db2.gz WYTRQIBDXZMQIE-OLZOCXBDSA-N 2 1 311.267 3.235 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414961467 433942284 /nfs/dbraw/zinc/94/22/84/433942284.db2.gz ZCAPQPVPRGCXPU-HOCLYGCPSA-N 2 1 306.450 3.104 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)s2)o1 ZINC000414969199 433946445 /nfs/dbraw/zinc/94/64/45/433946445.db2.gz JFSLRFJSZQGYHY-AWEZNQCLSA-N 2 1 305.447 3.189 20 0 DGADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422720077 433948453 /nfs/dbraw/zinc/94/84/53/433948453.db2.gz SBGWULJYOYWLOH-UYAOXDASSA-N 2 1 309.457 3.336 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726817 433948578 /nfs/dbraw/zinc/94/85/78/433948578.db2.gz GAILOALACROPKN-FRQCXROJSA-N 2 1 317.521 3.175 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000422726817 433948587 /nfs/dbraw/zinc/94/85/87/433948587.db2.gz GAILOALACROPKN-FRQCXROJSA-N 2 1 317.521 3.175 20 0 DGADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162138 433951334 /nfs/dbraw/zinc/95/13/34/433951334.db2.gz DULBOJIMXVPUKH-RTBURBONSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]CC2(C)COC2)C1 ZINC000285443206 433953032 /nfs/dbraw/zinc/95/30/32/433953032.db2.gz LOWBRSZPFLLIIU-CALCHBBNSA-N 2 1 316.489 3.291 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000422728685 433954744 /nfs/dbraw/zinc/95/47/44/433954744.db2.gz GOLDXHVIQMILPH-OTWHNJEPSA-N 2 1 303.494 3.101 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422736218 433959594 /nfs/dbraw/zinc/95/95/94/433959594.db2.gz FYNMQMXXBXEVMO-YDZRNGNQSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422736218 433959602 /nfs/dbraw/zinc/95/96/02/433959602.db2.gz FYNMQMXXBXEVMO-YDZRNGNQSA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422736218 433959610 /nfs/dbraw/zinc/95/96/10/433959610.db2.gz FYNMQMXXBXEVMO-YDZRNGNQSA-N 2 1 307.526 3.007 20 0 DGADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000340173104 433959687 /nfs/dbraw/zinc/95/96/87/433959687.db2.gz ODZNKUZXAMGSMZ-VAMGGRTRSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377687702 433960373 /nfs/dbraw/zinc/96/03/73/433960373.db2.gz ASHVTUHBABHBDH-UHFFFAOYSA-N 2 1 317.383 3.461 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422745307 433964352 /nfs/dbraw/zinc/96/43/52/433964352.db2.gz LYZXJPCFJZDKQZ-DOMZBBRYSA-N 2 1 323.278 3.068 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285498281 433970673 /nfs/dbraw/zinc/97/06/73/433970673.db2.gz JCMJFGSUKDZLNO-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)OCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285498281 433970685 /nfs/dbraw/zinc/97/06/85/433970685.db2.gz JCMJFGSUKDZLNO-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)OCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285498281 433970700 /nfs/dbraw/zinc/97/07/00/433970700.db2.gz JCMJFGSUKDZLNO-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COc4ccccc4C3)CC[NH2+]2)cc1 ZINC000415074976 433975360 /nfs/dbraw/zinc/97/53/60/433975360.db2.gz DIAZXHWNERKYBO-QRVBRYPASA-N 2 1 308.425 3.073 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000422775220 433986859 /nfs/dbraw/zinc/98/68/59/433986859.db2.gz ARRGIOGEXQUIRI-NCXUSEDFSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773981 433989222 /nfs/dbraw/zinc/98/92/22/433989222.db2.gz ZNNDHSRXCVYQML-GUYCJALGSA-N 2 1 320.383 3.336 20 0 DGADMP Cc1ccc(CSCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422774764 433990640 /nfs/dbraw/zinc/99/06/40/433990640.db2.gz YJQAMUJOGQYCIZ-CQSZACIVSA-N 2 1 301.459 3.387 20 0 DGADMP Cc1ccncc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377767443 433991266 /nfs/dbraw/zinc/99/12/66/433991266.db2.gz HRYISMZXDOJVKX-CTNGQTDRSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377767443 433991273 /nfs/dbraw/zinc/99/12/73/433991273.db2.gz HRYISMZXDOJVKX-CTNGQTDRSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377767443 433991282 /nfs/dbraw/zinc/99/12/82/433991282.db2.gz HRYISMZXDOJVKX-CTNGQTDRSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377767443 433991288 /nfs/dbraw/zinc/99/12/88/433991288.db2.gz HRYISMZXDOJVKX-CTNGQTDRSA-N 2 1 321.468 3.344 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422790097 434003429 /nfs/dbraw/zinc/00/34/29/434003429.db2.gz USLPJGSLYOBKAG-LZWOXQAQSA-N 2 1 307.869 3.039 20 0 DGADMP CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840926 434046389 /nfs/dbraw/zinc/04/63/89/434046389.db2.gz UVDJEUDRDIHFOA-LEAZDLGRSA-N 2 1 315.505 3.160 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)c2C1 ZINC000345936250 434009011 /nfs/dbraw/zinc/00/90/11/434009011.db2.gz OPCXUEATEQAMTR-GASCZTMLSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)c2C1 ZINC000345936250 434009024 /nfs/dbraw/zinc/00/90/24/434009024.db2.gz OPCXUEATEQAMTR-GASCZTMLSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)c2C1 ZINC000345936250 434009034 /nfs/dbraw/zinc/00/90/34/434009034.db2.gz OPCXUEATEQAMTR-GASCZTMLSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[NH+]1Cc2cccc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)c2C1 ZINC000345936250 434009043 /nfs/dbraw/zinc/00/90/43/434009043.db2.gz OPCXUEATEQAMTR-GASCZTMLSA-N 2 1 315.461 3.224 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000422798456 434010053 /nfs/dbraw/zinc/01/00/53/434010053.db2.gz RDQHAOHTILGCIR-RISCZKNCSA-N 2 1 321.515 3.453 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccc(Cl)cc1 ZINC000422795858 434010126 /nfs/dbraw/zinc/01/01/26/434010126.db2.gz IECMOQGMDYBQQH-NEPJUHHUSA-N 2 1 305.809 3.266 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340246278 434010356 /nfs/dbraw/zinc/01/03/56/434010356.db2.gz UZTYXYIQJXVXQM-CRAIPNDOSA-N 2 1 302.462 3.369 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340253368 434016767 /nfs/dbraw/zinc/01/67/67/434016767.db2.gz BKVAPYGSQDTHRY-NMLBUPMWSA-N 2 1 315.505 3.284 20 0 DGADMP CN1CC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1c1ccccc1 ZINC000340253368 434016773 /nfs/dbraw/zinc/01/67/73/434016773.db2.gz BKVAPYGSQDTHRY-NMLBUPMWSA-N 2 1 315.505 3.284 20 0 DGADMP c1cnn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422811104 434019702 /nfs/dbraw/zinc/01/97/02/434019702.db2.gz OJICFBTZSDYZKZ-FUMNGEBKSA-N 2 1 324.472 3.450 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806842 434020840 /nfs/dbraw/zinc/02/08/40/434020840.db2.gz NXMYZFFEHMHBSK-IXDOHACOSA-N 2 1 301.459 3.085 20 0 DGADMP COCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285636527 434023351 /nfs/dbraw/zinc/02/33/51/434023351.db2.gz RNDHMAMYICHUEJ-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP COCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285636527 434023364 /nfs/dbraw/zinc/02/33/64/434023364.db2.gz RNDHMAMYICHUEJ-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP COCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285636527 434023373 /nfs/dbraw/zinc/02/33/73/434023373.db2.gz RNDHMAMYICHUEJ-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)o1 ZINC000340271034 434027513 /nfs/dbraw/zinc/02/75/13/434027513.db2.gz JHGPXNBDDMYNSH-IEBWSBKVSA-N 2 1 313.445 3.259 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)o1 ZINC000340271034 434027518 /nfs/dbraw/zinc/02/75/18/434027518.db2.gz JHGPXNBDDMYNSH-IEBWSBKVSA-N 2 1 313.445 3.259 20 0 DGADMP C[C@@H](CCN[C@@H](C)c1c[nH+]ccc1N)[N@@H+](C)Cc1ccccc1 ZINC000422823602 434028579 /nfs/dbraw/zinc/02/85/79/434028579.db2.gz LWLDYSXYWPTQJN-HOTGVXAUSA-N 2 1 312.461 3.055 20 0 DGADMP C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422823166 434029471 /nfs/dbraw/zinc/02/94/71/434029471.db2.gz LIURXWHGKKCEBX-YQVWRLOYSA-N 2 1 303.494 3.017 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000363381801 434033607 /nfs/dbraw/zinc/03/36/07/434033607.db2.gz KSJUFHJMBIGMFR-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000363381801 434033611 /nfs/dbraw/zinc/03/36/11/434033611.db2.gz KSJUFHJMBIGMFR-DLBZAZTESA-N 2 1 318.461 3.200 20 0 DGADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830417 434034672 /nfs/dbraw/zinc/03/46/72/434034672.db2.gz RADXLJTWYBEFPL-QZTJIDSGSA-N 2 1 321.534 3.210 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000305105149 434039962 /nfs/dbraw/zinc/03/99/62/434039962.db2.gz BDKQTCRGLSCSQC-SUMDDJOVSA-N 2 1 320.477 3.120 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422836080 434042079 /nfs/dbraw/zinc/04/20/79/434042079.db2.gz ZNYWUVBYNGPMAQ-ZCNNSNEGSA-N 2 1 315.505 3.239 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)s1 ZINC000305130350 434045200 /nfs/dbraw/zinc/04/52/00/434045200.db2.gz MRLPUSURXVGFLW-GOEBONIOSA-N 2 1 310.507 3.252 20 0 DGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340300645 434046199 /nfs/dbraw/zinc/04/61/99/434046199.db2.gz KKUVJHARQCYOEH-RBUKOAKNSA-N 2 1 324.472 3.227 20 0 DGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340300645 434046207 /nfs/dbraw/zinc/04/62/07/434046207.db2.gz KKUVJHARQCYOEH-RBUKOAKNSA-N 2 1 324.472 3.227 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCC2 ZINC000422779091 433995265 /nfs/dbraw/zinc/99/52/65/433995265.db2.gz IMRHZIGFWLTZQB-ZSYWTGECSA-N 2 1 314.473 3.417 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340220946 433996150 /nfs/dbraw/zinc/99/61/50/433996150.db2.gz FZIWUQWABNXSCG-BVBHFADKSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340220946 433996159 /nfs/dbraw/zinc/99/61/59/433996159.db2.gz FZIWUQWABNXSCG-BVBHFADKSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000340229854 433996442 /nfs/dbraw/zinc/99/64/42/433996442.db2.gz YRLBINFZFCHFMZ-SFHVURJKSA-N 2 1 307.526 3.107 20 0 DGADMP CC[C@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000357415043 434000879 /nfs/dbraw/zinc/00/08/79/434000879.db2.gz HMGBNQNGOFBPHN-PKOBYXMFSA-N 2 1 303.494 3.001 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340230408 434001542 /nfs/dbraw/zinc/00/15/42/434001542.db2.gz HXVFMIWGRPKDCQ-YTQUADARSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)OCCc2ccccc21 ZINC000377799551 434001777 /nfs/dbraw/zinc/00/17/77/434001777.db2.gz WCGFABKLXWYZGZ-AQDPXUSMSA-N 2 1 314.473 3.079 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861188 434062031 /nfs/dbraw/zinc/06/20/31/434062031.db2.gz MMZLVKXYWYMKLZ-SQGPQFPESA-N 2 1 315.505 3.149 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(O)CC2)C1 ZINC000285773688 434062233 /nfs/dbraw/zinc/06/22/33/434062233.db2.gz SZLUEJAIPFNMRG-PBPGXSGUSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422906744 434100917 /nfs/dbraw/zinc/10/09/17/434100917.db2.gz AKSAHZPLUWRSJE-ZFWWWQNUSA-N 2 1 307.507 3.463 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867338 434066129 /nfs/dbraw/zinc/06/61/29/434066129.db2.gz RXZDDMNMQXCLMA-IEWDOMPSSA-N 2 1 307.526 3.150 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCCC[C@H]1C ZINC000422867338 434066137 /nfs/dbraw/zinc/06/61/37/434066137.db2.gz RXZDDMNMQXCLMA-IEWDOMPSSA-N 2 1 307.526 3.150 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422875669 434073004 /nfs/dbraw/zinc/07/30/04/434073004.db2.gz FOEZCQAJMGAKDT-UWVAXJGDSA-N 3 1 315.505 3.136 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881065 434077020 /nfs/dbraw/zinc/07/70/20/434077020.db2.gz NHFMRTORVVGLFS-QXGSTGNESA-N 2 1 301.478 3.089 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340349689 434080328 /nfs/dbraw/zinc/08/03/28/434080328.db2.gz FEGVTEQJKXQWOT-RBUKOAKNSA-N 3 1 315.505 3.143 20 0 DGADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340349689 434080345 /nfs/dbraw/zinc/08/03/45/434080345.db2.gz FEGVTEQJKXQWOT-RBUKOAKNSA-N 3 1 315.505 3.143 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422883997 434083750 /nfs/dbraw/zinc/08/37/50/434083750.db2.gz RCMYRLUYAAGQCE-GVDBMIGSSA-N 3 1 303.494 3.276 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1)[C@@H]1CC[NH2+]C1 ZINC000422890400 434086126 /nfs/dbraw/zinc/08/61/26/434086126.db2.gz RWJUVCNZGQJJTN-ZIAGYGMSSA-N 2 1 315.392 3.101 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422888214 434086785 /nfs/dbraw/zinc/08/67/85/434086785.db2.gz CDHLILIEZCSUGB-JSJNYSNDSA-N 2 1 315.505 3.134 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000450297341 434089348 /nfs/dbraw/zinc/08/93/48/434089348.db2.gz IQUZMCBUMZNYHL-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000346058052 434089839 /nfs/dbraw/zinc/08/98/39/434089839.db2.gz ALAYCCISNUGJEZ-AEFFLSMTSA-N 2 1 322.468 3.330 20 0 DGADMP COc1ccc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422900361 434095317 /nfs/dbraw/zinc/09/53/17/434095317.db2.gz QFSUZOCBMUSSAW-MOPGFXCFSA-N 2 1 312.413 3.199 20 0 DGADMP COc1ccccc1Oc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422905110 434096607 /nfs/dbraw/zinc/09/66/07/434096607.db2.gz HSEKOZFQJLXUSM-SJORKVTESA-N 2 1 312.413 3.457 20 0 DGADMP COc1ccc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422900364 434097319 /nfs/dbraw/zinc/09/73/19/434097319.db2.gz QFSUZOCBMUSSAW-RTBURBONSA-N 2 1 312.413 3.199 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309765620 434098597 /nfs/dbraw/zinc/09/85/97/434098597.db2.gz ZKESYGMVWALJEO-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851389 434052881 /nfs/dbraw/zinc/05/28/81/434052881.db2.gz OVEJOXSOROMAPE-NVXWUHKLSA-N 2 1 315.486 3.145 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422856756 434056669 /nfs/dbraw/zinc/05/66/69/434056669.db2.gz GIRBJZRBAYIPMC-ULQDDVLXSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422856753 434057554 /nfs/dbraw/zinc/05/75/54/434057554.db2.gz GIRBJZRBAYIPMC-IXDOHACOSA-N 3 1 303.494 3.134 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000422908686 434103120 /nfs/dbraw/zinc/10/31/20/434103120.db2.gz YZQWQMBITWZMGT-LLVKDONJSA-N 2 1 316.367 3.190 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnc2ccccc2c1 ZINC000422911016 434103715 /nfs/dbraw/zinc/10/37/15/434103715.db2.gz JVBPFHRHFLJDAK-MGPUTAFESA-N 2 1 305.425 3.283 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000353392647 434105111 /nfs/dbraw/zinc/10/51/11/434105111.db2.gz GYETXQOXQXPFAZ-LBPRGKRZSA-N 2 1 324.490 3.448 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310006293 434105621 /nfs/dbraw/zinc/10/56/21/434105621.db2.gz HUJPSUHHRQUCTL-MJGOQNOKSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310006293 434105629 /nfs/dbraw/zinc/10/56/29/434105629.db2.gz HUJPSUHHRQUCTL-MJGOQNOKSA-N 2 1 303.494 3.006 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000422913617 434107976 /nfs/dbraw/zinc/10/79/76/434107976.db2.gz QMOGSXWVLZYZPY-KCQAQPDRSA-N 2 1 316.474 3.244 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422914600 434110052 /nfs/dbraw/zinc/11/00/52/434110052.db2.gz UXRUNVGMGGLVEK-APWZRJJASA-N 2 1 303.494 3.147 20 0 DGADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459571721 293982772 /nfs/dbraw/zinc/98/27/72/293982772.db2.gz SKIXEPROEGFBER-RBUKOAKNSA-N 2 1 314.473 3.449 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)Oc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422926068 434113519 /nfs/dbraw/zinc/11/35/19/434113519.db2.gz WCSZYXCSVWQWOJ-NWDGAFQWSA-N 2 1 305.809 3.266 20 0 DGADMP Cc1sc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)nc1-c1ccccc1 ZINC000422929672 434116723 /nfs/dbraw/zinc/11/67/23/434116723.db2.gz RAEIAOJVLADAPX-CZUORRHYSA-N 2 1 315.486 3.249 20 0 DGADMP C[C@H]([NH2+][C@@H](COc1ccccc1F)c1ccccc1)C1C[NH2+]C1 ZINC000422933495 434117277 /nfs/dbraw/zinc/11/72/77/434117277.db2.gz HVXCCHQZAPBCTC-KSSFIOAISA-N 2 1 314.404 3.143 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)o2)cs1 ZINC000422938171 434124659 /nfs/dbraw/zinc/12/46/59/434124659.db2.gz GTHHCWSXDWSALQ-FZMZJTMJSA-N 2 1 305.447 3.189 20 0 DGADMP CCc1cc(NCc2ccccc2C[NH+](CC)CC)nc(C)[nH+]1 ZINC000357679212 434124521 /nfs/dbraw/zinc/12/45/21/434124521.db2.gz HOLQLCKEUCRBPQ-UHFFFAOYSA-N 2 1 312.461 3.801 20 0 DGADMP C[C@H]([NH2+]CCc1cccc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000313702760 434130018 /nfs/dbraw/zinc/13/00/18/434130018.db2.gz RLQJUPMFOXEXOZ-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709568 294330595 /nfs/dbraw/zinc/33/05/95/294330595.db2.gz HYLUOOQBPWTTCJ-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709568 294330598 /nfs/dbraw/zinc/33/05/98/294330598.db2.gz HYLUOOQBPWTTCJ-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+](CC)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709568 294330601 /nfs/dbraw/zinc/33/06/01/294330601.db2.gz HYLUOOQBPWTTCJ-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422948222 434131191 /nfs/dbraw/zinc/13/11/91/434131191.db2.gz RNDPUFWSJPKLEP-MPGHIAIKSA-N 2 1 311.429 3.082 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)c2)cn1 ZINC000422968798 434141645 /nfs/dbraw/zinc/14/16/45/434141645.db2.gz XTGWVYZLIMMAOL-PMACEKPBSA-N 2 1 318.424 3.322 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422968124 434144540 /nfs/dbraw/zinc/14/45/40/434144540.db2.gz VQPGNUHIYDAIMZ-URLQWDBASA-N 2 1 312.413 3.495 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCOCC2)CC1 ZINC000286043771 434144796 /nfs/dbraw/zinc/14/47/96/434144796.db2.gz KQUPZUYUGWDSNW-UHFFFAOYSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422976973 434148125 /nfs/dbraw/zinc/14/81/25/434148125.db2.gz FFFNDHTXBRFYAB-AYOQOUSVSA-N 2 1 302.462 3.058 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340468601 434150431 /nfs/dbraw/zinc/15/04/31/434150431.db2.gz FTIHNPKGZDDHAC-OTWHNJEPSA-N 2 1 320.525 3.255 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422983159 434153090 /nfs/dbraw/zinc/15/30/90/434153090.db2.gz YROGJDRUNNENCO-FFZOFVMBSA-N 2 1 312.457 3.048 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000340472239 434153638 /nfs/dbraw/zinc/15/36/38/434153638.db2.gz HJLYLHGMTAXMEM-ROUUACIJSA-N 2 1 306.498 3.009 20 0 DGADMP CC[C@H](CCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340475291 434153853 /nfs/dbraw/zinc/15/38/53/434153853.db2.gz WWMLINHJMQZORE-LMDPOFIKSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000450424423 434170904 /nfs/dbraw/zinc/17/09/04/434170904.db2.gz KQCFKFAOTYIBBZ-MISYRCLQSA-N 2 1 316.489 3.101 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353494146 434172434 /nfs/dbraw/zinc/17/24/34/434172434.db2.gz YERODYNZVPVZOY-ULQDDVLXSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353494146 434172445 /nfs/dbraw/zinc/17/24/45/434172445.db2.gz YERODYNZVPVZOY-ULQDDVLXSA-N 2 1 306.498 3.156 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000340515254 434174078 /nfs/dbraw/zinc/17/40/78/434174078.db2.gz OHCJRAPTVVFNJG-QRVBRYPASA-N 2 1 314.473 3.056 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353495448 434174538 /nfs/dbraw/zinc/17/45/38/434174538.db2.gz NXQYKKWHRUTQET-CQSZACIVSA-N 2 1 324.538 3.130 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353495448 434174548 /nfs/dbraw/zinc/17/45/48/434174548.db2.gz NXQYKKWHRUTQET-CQSZACIVSA-N 2 1 324.538 3.130 20 0 DGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)sc1C ZINC000353492055 434174838 /nfs/dbraw/zinc/17/48/38/434174838.db2.gz NFVWHDFMVVXZIN-BMFZPTHFSA-N 2 1 307.507 3.019 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000423034295 434175476 /nfs/dbraw/zinc/17/54/76/434175476.db2.gz PRYDBQKZPGBFRL-FCGDIQPGSA-N 3 1 307.526 3.151 20 0 DGADMP COCCC(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423030684 434178152 /nfs/dbraw/zinc/17/81/52/434178152.db2.gz CGQJHFLLPPGLKW-MSOLQXFVSA-N 2 1 320.477 3.141 20 0 DGADMP C[C@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423034641 434179166 /nfs/dbraw/zinc/17/91/66/434179166.db2.gz XUDKPIQKXNHAKW-NHYWBVRUSA-N 2 1 317.260 3.240 20 0 DGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cnccc3C)CC2)[nH+]c1 ZINC000357796142 434187527 /nfs/dbraw/zinc/18/75/27/434187527.db2.gz PQQRIMJYSFNRME-MRXNPFEDSA-N 2 1 310.445 3.413 20 0 DGADMP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1c[nH+]ccc1N ZINC000423065825 434198775 /nfs/dbraw/zinc/19/87/75/434198775.db2.gz VGFUHGCNZUBMPG-BXUZGUMPSA-N 2 1 309.335 3.491 20 0 DGADMP c1cc2c(nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCCC2 ZINC000423072405 434202161 /nfs/dbraw/zinc/20/21/61/434202161.db2.gz HEWKKKNLXFXFRU-DFQSSKMNSA-N 2 1 313.489 3.361 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423066405 434202186 /nfs/dbraw/zinc/20/21/86/434202186.db2.gz WVPSRRYHJNRSTI-XUVXKRRUSA-N 3 1 315.505 3.147 20 0 DGADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1Br ZINC000423071122 434203571 /nfs/dbraw/zinc/20/35/71/434203571.db2.gz OBNVMXCTSPRSSF-RISCZKNCSA-N 2 1 311.267 3.235 20 0 DGADMP COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423067631 434203621 /nfs/dbraw/zinc/20/36/21/434203621.db2.gz HOAPCJGAXSVLIL-LLVKDONJSA-N 2 1 319.836 3.362 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423104202 434219597 /nfs/dbraw/zinc/21/95/97/434219597.db2.gz GVKANIZQSAQEFS-JSGCOSHPSA-N 2 1 300.368 3.267 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1c[nH+]ccc1N ZINC000423103453 434219970 /nfs/dbraw/zinc/21/99/70/434219970.db2.gz AOCDFAPDCGDYBF-LBPRGKRZSA-N 2 1 312.392 3.398 20 0 DGADMP C[N@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000378399114 434166230 /nfs/dbraw/zinc/16/62/30/434166230.db2.gz DXARSAIBZKSHLU-SFHVURJKSA-N 2 1 301.478 3.026 20 0 DGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000378399114 434166237 /nfs/dbraw/zinc/16/62/37/434166237.db2.gz DXARSAIBZKSHLU-SFHVURJKSA-N 2 1 301.478 3.026 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000353579354 434244534 /nfs/dbraw/zinc/24/45/34/434244534.db2.gz USOPNCFQKNTDHL-DOTOQJQBSA-N 2 1 322.493 3.343 20 0 DGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000353579354 434244543 /nfs/dbraw/zinc/24/45/43/434244543.db2.gz USOPNCFQKNTDHL-DOTOQJQBSA-N 2 1 322.493 3.343 20 0 DGADMP CC[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000353582496 434247178 /nfs/dbraw/zinc/24/71/78/434247178.db2.gz RQSZZBZRFLRPTP-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC(C)CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccoc1 ZINC000353585621 434250603 /nfs/dbraw/zinc/25/06/03/434250603.db2.gz UOUPPRVQHXYUDO-SFHVURJKSA-N 2 1 321.509 3.373 20 0 DGADMP COCC1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423193206 434276257 /nfs/dbraw/zinc/27/62/57/434276257.db2.gz VJVHZOVADHBWKQ-SOTJZCEJSA-N 2 1 302.462 3.275 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379623280 434256949 /nfs/dbraw/zinc/25/69/49/434256949.db2.gz IDRRFQDZJWNLRL-AOIWGVFYSA-N 3 1 303.494 3.147 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379623280 434256956 /nfs/dbraw/zinc/25/69/56/434256956.db2.gz IDRRFQDZJWNLRL-AOIWGVFYSA-N 3 1 303.494 3.147 20 0 DGADMP COc1ncc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1Cl ZINC000423165490 434257120 /nfs/dbraw/zinc/25/71/20/434257120.db2.gz YDHNNJRFNCVVJJ-GXTWGEPZSA-N 2 1 311.857 3.144 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(CO)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379644701 434258568 /nfs/dbraw/zinc/25/85/68/434258568.db2.gz GYGRCCVFMIOKKF-KRWDZBQOSA-N 2 1 312.457 3.179 20 0 DGADMP C[C@H](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647911 434258606 /nfs/dbraw/zinc/25/86/06/434258606.db2.gz LIURXWHGKKCEBX-AOIWGVFYSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379623314 434259166 /nfs/dbraw/zinc/25/91/66/434259166.db2.gz IDRRFQDZJWNLRL-ZHALLVOQSA-N 3 1 303.494 3.147 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379623314 434259175 /nfs/dbraw/zinc/25/91/75/434259175.db2.gz IDRRFQDZJWNLRL-ZHALLVOQSA-N 3 1 303.494 3.147 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643889 434260737 /nfs/dbraw/zinc/26/07/37/434260737.db2.gz BNQXXKRUHCWPQL-SOLBZPMBSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643889 434260741 /nfs/dbraw/zinc/26/07/41/434260741.db2.gz BNQXXKRUHCWPQL-SOLBZPMBSA-N 2 1 304.478 3.179 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172547 434261248 /nfs/dbraw/zinc/26/12/48/434261248.db2.gz UCAFXQQQNKSSPP-NJYVYQBISA-N 2 1 324.468 3.395 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000423167085 434261356 /nfs/dbraw/zinc/26/13/56/434261356.db2.gz WHLMTSLSLNXSRU-QTWZMDIBSA-N 2 1 324.468 3.489 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000353597927 434261771 /nfs/dbraw/zinc/26/17/71/434261771.db2.gz VHYOCLYTXJPZIH-KZFLWGQDSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000353597927 434261775 /nfs/dbraw/zinc/26/17/75/434261775.db2.gz VHYOCLYTXJPZIH-KZFLWGQDSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000353597927 434261787 /nfs/dbraw/zinc/26/17/87/434261787.db2.gz VHYOCLYTXJPZIH-KZFLWGQDSA-N 2 1 314.473 3.264 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000353597927 434261796 /nfs/dbraw/zinc/26/17/96/434261796.db2.gz VHYOCLYTXJPZIH-KZFLWGQDSA-N 2 1 314.473 3.264 20 0 DGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C(=O)OC)cc1 ZINC000423175329 434263593 /nfs/dbraw/zinc/26/35/93/434263593.db2.gz DROBNVBZZUBNBR-MRXNPFEDSA-N 2 1 304.434 3.176 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCCCC2 ZINC000322819347 434264089 /nfs/dbraw/zinc/26/40/89/434264089.db2.gz BTABZTDWZCCERP-PYWTVGQWSA-N 2 1 306.494 3.329 20 0 DGADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181872 434267505 /nfs/dbraw/zinc/26/75/05/434267505.db2.gz DFXHQMYMJQIXRM-LIRRHRJNSA-N 2 1 313.420 3.224 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000423106889 434222284 /nfs/dbraw/zinc/22/22/84/434222284.db2.gz ROOFGUMVZPQWTK-QZTJIDSGSA-N 2 1 307.526 3.010 20 0 DGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000295257703 434280666 /nfs/dbraw/zinc/28/06/66/434280666.db2.gz RAHVJMNRUSQATA-IBGZPJMESA-N 2 1 323.440 3.009 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423200033 434282611 /nfs/dbraw/zinc/28/26/11/434282611.db2.gz LLVWFIBMLITHFQ-ZBFHGGJFSA-N 2 1 324.440 3.034 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450600442 434290435 /nfs/dbraw/zinc/29/04/35/434290435.db2.gz NQICYBBCZHFQJP-RLLQIKCJSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450600442 434290441 /nfs/dbraw/zinc/29/04/41/434290441.db2.gz NQICYBBCZHFQJP-RLLQIKCJSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450600442 434290449 /nfs/dbraw/zinc/29/04/49/434290449.db2.gz NQICYBBCZHFQJP-RLLQIKCJSA-N 2 1 319.537 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384582055 434294032 /nfs/dbraw/zinc/29/40/32/434294032.db2.gz KUROWIJDHSHDRN-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423233322 434300839 /nfs/dbraw/zinc/30/08/39/434300839.db2.gz DOIAKOGODHFZDU-JRGCBEDISA-N 2 1 323.484 3.187 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000423240671 434306311 /nfs/dbraw/zinc/30/63/11/434306311.db2.gz KVWOAWCTHJWWQE-WTLGNFPFSA-N 2 1 303.494 3.128 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358049983 434307181 /nfs/dbraw/zinc/30/71/81/434307181.db2.gz SMLGVBQQPLFSHD-FUHIMQAGSA-N 2 1 316.489 3.461 20 0 DGADMP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)sc1Br ZINC000423275286 434333949 /nfs/dbraw/zinc/33/39/49/434333949.db2.gz LLEMUSQSABPORY-SCZZXKLOSA-N 2 1 303.269 3.207 20 0 DGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258991 434318895 /nfs/dbraw/zinc/31/88/95/434318895.db2.gz CUOHSERKAONPKM-CJNGLKHVSA-N 2 1 306.450 3.262 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000295342565 434319857 /nfs/dbraw/zinc/31/98/57/434319857.db2.gz IANOURUTRZRTAU-MAUKXSAKSA-N 2 1 304.478 3.168 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@H](C)C1 ZINC000358101657 434334352 /nfs/dbraw/zinc/33/43/52/434334352.db2.gz SVVPVPLBDWOEHW-PWSUYJOCSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@H](C)C1 ZINC000358101657 434334354 /nfs/dbraw/zinc/33/43/54/434334354.db2.gz SVVPVPLBDWOEHW-PWSUYJOCSA-N 2 1 317.296 3.331 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000358093478 434329712 /nfs/dbraw/zinc/32/97/12/434329712.db2.gz ZXOVIWUAHYPCBY-VFVRVIDISA-N 2 1 301.409 3.490 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423268352 434330451 /nfs/dbraw/zinc/33/04/51/434330451.db2.gz GCKKBXZLNLHITM-KUHUBIRLSA-N 2 1 316.420 3.369 20 0 DGADMP C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390811949 434369143 /nfs/dbraw/zinc/36/91/43/434369143.db2.gz WPHKMYGBUGOJOJ-HIFRSBDPSA-N 2 1 300.368 3.439 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CCC1 ZINC000423339011 434371734 /nfs/dbraw/zinc/37/17/34/434371734.db2.gz WFOYTMVKMPHSKL-CQSZACIVSA-N 2 1 309.251 3.298 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423346299 434376184 /nfs/dbraw/zinc/37/61/84/434376184.db2.gz ZSFIDOQWXOSWQZ-WMZOPIPTSA-N 2 1 323.525 3.055 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCCC1 ZINC000390886565 434376890 /nfs/dbraw/zinc/37/68/90/434376890.db2.gz YMEFUUAZRAYRPK-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCCC1 ZINC000390886565 434376895 /nfs/dbraw/zinc/37/68/95/434376895.db2.gz YMEFUUAZRAYRPK-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423355240 434379821 /nfs/dbraw/zinc/37/98/21/434379821.db2.gz FBCMBZDVDWPYAA-NXEZZACHSA-N 2 1 303.269 3.303 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)s1 ZINC000423366684 434384279 /nfs/dbraw/zinc/38/42/79/434384279.db2.gz CTEYJCYGSDFCRD-UTLUCORTSA-N 2 1 303.269 3.302 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000518514810 294723894 /nfs/dbraw/zinc/72/38/94/294723894.db2.gz ZJWKMOIKEHJVSF-ROUUACIJSA-N 2 1 315.461 3.175 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000423369656 434387850 /nfs/dbraw/zinc/38/78/50/434387850.db2.gz GCBKXTUQVDEJBW-SCVCMEIPSA-N 2 1 315.230 3.379 20 0 DGADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423275333 434335919 /nfs/dbraw/zinc/33/59/19/434335919.db2.gz LQQNGWSVASHADQ-ZIAGYGMSSA-N 2 1 309.251 3.072 20 0 DGADMP C[C@H](C[C@H](C)O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353686009 434336989 /nfs/dbraw/zinc/33/69/89/434336989.db2.gz WJIBXCMZUWRNTJ-JLJREYHVSA-N 2 1 304.478 3.179 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000423282972 434338802 /nfs/dbraw/zinc/33/88/02/434338802.db2.gz DQLCBUZBSXHDRA-AWEZNQCLSA-N 2 1 320.481 3.385 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423286744 434340410 /nfs/dbraw/zinc/34/04/10/434340410.db2.gz IMTKBOSVMUYEGD-NSHDSACASA-N 2 1 303.269 3.289 20 0 DGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423284771 434341439 /nfs/dbraw/zinc/34/14/39/434341439.db2.gz YJAMZZZTYDYKEE-OCCSQVGLSA-N 2 1 301.356 3.051 20 0 DGADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423283803 434341461 /nfs/dbraw/zinc/34/14/61/434341461.db2.gz WHLGBRLJSRKRNS-AABORUILSA-N 2 1 302.462 3.290 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423288278 434343525 /nfs/dbraw/zinc/34/35/25/434343525.db2.gz RKVKZRJCMIFPDL-GFCCVEGCSA-N 2 1 317.658 3.417 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423294094 434345786 /nfs/dbraw/zinc/34/57/86/434345786.db2.gz BHAXLJKKMZOLTM-GOEBONIOSA-N 2 1 308.466 3.050 20 0 DGADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423305981 434354606 /nfs/dbraw/zinc/35/46/06/434354606.db2.gz CYXOGZDYCIQIEX-XUVXKRRUSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423322139 434360607 /nfs/dbraw/zinc/36/06/07/434360607.db2.gz NPZLZANIFNNPQH-UONOGXRCSA-N 2 1 309.251 3.072 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423484843 434444767 /nfs/dbraw/zinc/44/47/67/434444767.db2.gz YYAZDWOARUVGJA-IAGOWNOFSA-N 2 1 303.837 3.346 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)cc2)C[C@H]1C ZINC000353749526 434395680 /nfs/dbraw/zinc/39/56/80/434395680.db2.gz LPLVRKSNTMSLAV-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCCOC)cc2)C[C@H]1C ZINC000353749526 434395700 /nfs/dbraw/zinc/39/57/00/434395700.db2.gz LPLVRKSNTMSLAV-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)C[C@H]1C ZINC000353749526 434395707 /nfs/dbraw/zinc/39/57/07/434395707.db2.gz LPLVRKSNTMSLAV-AEFFLSMTSA-N 2 1 320.477 3.016 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000423392844 434399990 /nfs/dbraw/zinc/39/99/90/434399990.db2.gz QTZAIBGQHGWPFR-GBESFXJTSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394412736 434401504 /nfs/dbraw/zinc/40/15/04/434401504.db2.gz ISZSXOQJULZZFV-QFBILLFUSA-N 2 1 310.441 3.435 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000358657585 434403297 /nfs/dbraw/zinc/40/32/97/434403297.db2.gz CKJMCQPIVLIDAK-UYAOXDASSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000358657585 434403313 /nfs/dbraw/zinc/40/33/13/434403313.db2.gz CKJMCQPIVLIDAK-UYAOXDASSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000358657585 434403316 /nfs/dbraw/zinc/40/33/16/434403316.db2.gz CKJMCQPIVLIDAK-UYAOXDASSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H](C)C[NH+]2CCCCC2)c2ccccn21 ZINC000519830189 294800593 /nfs/dbraw/zinc/80/05/93/294800593.db2.gz UHHBLXKESJESII-MRXNPFEDSA-N 2 1 314.477 3.422 20 0 DGADMP COC[C@@]1(C[NH2+][C@@H](CSc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423417386 434414845 /nfs/dbraw/zinc/41/48/45/434414845.db2.gz SGLZEJWRGBCHLR-ROUUACIJSA-N 2 1 322.518 3.162 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2CCCc2ccc3c(c2)CCO3)CC1 ZINC000366474383 434423898 /nfs/dbraw/zinc/42/38/98/434423898.db2.gz XHDWHQLFUXWHNZ-UHFFFAOYSA-N 2 1 314.473 3.114 20 0 DGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423436596 434424875 /nfs/dbraw/zinc/42/48/75/434424875.db2.gz PXIXVZJOZLCDEY-RXMXQMHTSA-N 2 1 312.388 3.486 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438182949 434430633 /nfs/dbraw/zinc/43/06/33/434430633.db2.gz VHUGJTBHNXBCQY-IAGOWNOFSA-N 2 1 302.462 3.228 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423455453 434432783 /nfs/dbraw/zinc/43/27/83/434432783.db2.gz CMDUTVFMDFZBNQ-SJORKVTESA-N 2 1 303.837 3.346 20 0 DGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423462945 434435526 /nfs/dbraw/zinc/43/55/26/434435526.db2.gz AALVFXMLHJEMGV-VXGBXAGGSA-N 2 1 318.358 3.120 20 0 DGADMP c1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000438202883 434436062 /nfs/dbraw/zinc/43/60/62/434436062.db2.gz QHVGRPGYMKEAIH-QGZVFWFLSA-N 2 1 302.462 3.452 20 0 DGADMP c1ccc(OCCCC[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000438202883 434436075 /nfs/dbraw/zinc/43/60/75/434436075.db2.gz QHVGRPGYMKEAIH-QGZVFWFLSA-N 2 1 302.462 3.452 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H]1C[NH3+] ZINC000397453894 434436659 /nfs/dbraw/zinc/43/66/59/434436659.db2.gz NBOLSRWTEMUIJM-XJKCOSOUSA-N 2 1 301.409 3.179 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423476181 434438922 /nfs/dbraw/zinc/43/89/22/434438922.db2.gz QVFHTOIRHDRSEC-LESCRADOSA-N 3 1 312.461 3.349 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423473219 434439274 /nfs/dbraw/zinc/43/92/74/434439274.db2.gz QPVAFHBRCWMVCE-RNCFNFMXSA-N 2 1 317.658 3.417 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423476189 434440052 /nfs/dbraw/zinc/44/00/52/434440052.db2.gz QVFHTOIRHDRSEC-QILLFSRXSA-N 3 1 312.461 3.349 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423509331 434465168 /nfs/dbraw/zinc/46/51/68/434465168.db2.gz JMGDGVXNRMDFIQ-LSTHTHJFSA-N 2 1 309.457 3.138 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2cccs2)cc1 ZINC000423529281 434474780 /nfs/dbraw/zinc/47/47/80/434474780.db2.gz XQRVAXKFOFLZBU-RHSMWYFYSA-N 2 1 316.470 3.444 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000423526829 434474952 /nfs/dbraw/zinc/47/49/52/434474952.db2.gz LRCOBDAMRSRGEU-CVEARBPZSA-N 2 1 304.434 3.016 20 0 DGADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423530063 434475280 /nfs/dbraw/zinc/47/52/80/434475280.db2.gz PCZKDKNNKQANQV-ZAAXVRCTSA-N 2 1 312.432 3.492 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@@H+]1C ZINC000360022747 434477511 /nfs/dbraw/zinc/47/75/11/434477511.db2.gz IMZIKENPDDDJMY-FUHWJXTLSA-N 2 1 324.472 3.422 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[N@H+]1C ZINC000360022747 434477519 /nfs/dbraw/zinc/47/75/19/434477519.db2.gz IMZIKENPDDDJMY-FUHWJXTLSA-N 2 1 324.472 3.422 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000353850347 434478276 /nfs/dbraw/zinc/47/82/76/434478276.db2.gz WCTHWNDCRAILTG-CXAGYDPISA-N 2 1 304.413 3.349 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400521501 434485279 /nfs/dbraw/zinc/48/52/79/434485279.db2.gz CXZWRMGNUCDRIE-IHPCNDPISA-N 2 1 316.489 3.303 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000360056286 434493975 /nfs/dbraw/zinc/49/39/75/434493975.db2.gz GGUBZCKYUKROAC-IAGOWNOFSA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000360056286 434493987 /nfs/dbraw/zinc/49/39/87/434493987.db2.gz GGUBZCKYUKROAC-IAGOWNOFSA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000360056286 434493995 /nfs/dbraw/zinc/49/39/95/434493995.db2.gz GGUBZCKYUKROAC-IAGOWNOFSA-N 2 1 302.462 3.216 20 0 DGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000401796387 434498854 /nfs/dbraw/zinc/49/88/54/434498854.db2.gz JQMDUQMNCOFQET-HNNXBMFYSA-N 2 1 322.250 3.466 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000401770551 434499335 /nfs/dbraw/zinc/49/93/35/434499335.db2.gz OEJBVNHEWFNWMO-LLVKDONJSA-N 2 1 308.223 3.076 20 0 DGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000401802119 434499806 /nfs/dbraw/zinc/49/98/06/434499806.db2.gz NRZZHAZFSSLBTR-OAHLLOKOSA-N 2 1 322.250 3.466 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000398026329 434449356 /nfs/dbraw/zinc/44/93/56/434449356.db2.gz MCBORHJQVFLQGM-HIFRSBDPSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000398026326 434451023 /nfs/dbraw/zinc/45/10/23/434451023.db2.gz MCBORHJQVFLQGM-DZGCQCFKSA-N 2 1 300.368 3.439 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423485211 434451315 /nfs/dbraw/zinc/45/13/15/434451315.db2.gz YYAZDWOARUVGJA-SJORKVTESA-N 2 1 303.837 3.346 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000398026333 434452670 /nfs/dbraw/zinc/45/26/70/434452670.db2.gz MCBORHJQVFLQGM-ZFWWWQNUSA-N 2 1 300.368 3.439 20 0 DGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423491832 434454122 /nfs/dbraw/zinc/45/41/22/434454122.db2.gz KPFMKXCONLSAQH-MOPGFXCFSA-N 2 1 320.477 3.141 20 0 DGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423491834 434456230 /nfs/dbraw/zinc/45/62/30/434456230.db2.gz KPFMKXCONLSAQH-RBUKOAKNSA-N 2 1 320.477 3.141 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398126702 434456501 /nfs/dbraw/zinc/45/65/01/434456501.db2.gz RQLZIFDMDSVBRB-QRVBRYPASA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398126702 434456511 /nfs/dbraw/zinc/45/65/11/434456511.db2.gz RQLZIFDMDSVBRB-QRVBRYPASA-N 2 1 303.494 3.003 20 0 DGADMP Cc1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493051 434516026 /nfs/dbraw/zinc/51/60/26/434516026.db2.gz XGCREKADRZPEJX-RDJZCZTQSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404493051 434516034 /nfs/dbraw/zinc/51/60/34/434516034.db2.gz XGCREKADRZPEJX-RDJZCZTQSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493051 434516043 /nfs/dbraw/zinc/51/60/43/434516043.db2.gz XGCREKADRZPEJX-RDJZCZTQSA-N 2 1 315.486 3.452 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C2CCC2)CC1 ZINC000353913561 434520422 /nfs/dbraw/zinc/52/04/22/434520422.db2.gz JOVGBSADZKGPOX-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP CCn1cncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000417792806 434524773 /nfs/dbraw/zinc/52/47/73/434524773.db2.gz YZNKDKUQQMLBGV-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000353926956 434528772 /nfs/dbraw/zinc/52/87/72/434528772.db2.gz HXXIGFMIDMWHFL-UHFFFAOYSA-N 2 1 312.461 3.146 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000353935036 434537069 /nfs/dbraw/zinc/53/70/69/434537069.db2.gz UFMMZHORAVQHBT-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000451058440 434549620 /nfs/dbraw/zinc/54/96/20/434549620.db2.gz VOWSIHJZRSSLTJ-PKOBYXMFSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000451058440 434549624 /nfs/dbraw/zinc/54/96/24/434549624.db2.gz VOWSIHJZRSSLTJ-PKOBYXMFSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000451058440 434549628 /nfs/dbraw/zinc/54/96/28/434549628.db2.gz VOWSIHJZRSSLTJ-PKOBYXMFSA-N 2 1 307.526 3.056 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970384 434550330 /nfs/dbraw/zinc/55/03/30/434550330.db2.gz DGNOOJCHBVCDKB-RDJZCZTQSA-N 2 1 320.477 3.099 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970384 434550338 /nfs/dbraw/zinc/55/03/38/434550338.db2.gz DGNOOJCHBVCDKB-RDJZCZTQSA-N 2 1 320.477 3.099 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970383 434550823 /nfs/dbraw/zinc/55/08/23/434550823.db2.gz DGNOOJCHBVCDKB-NVXWUHKLSA-N 2 1 320.477 3.099 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970383 434550828 /nfs/dbraw/zinc/55/08/28/434550828.db2.gz DGNOOJCHBVCDKB-NVXWUHKLSA-N 2 1 320.477 3.099 20 0 DGADMP COc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1Cl ZINC000451068569 434552566 /nfs/dbraw/zinc/55/25/66/434552566.db2.gz IVZIIFVZIIRADP-KRWDZBQOSA-N 2 1 308.853 3.266 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000353973064 434553598 /nfs/dbraw/zinc/55/35/98/434553598.db2.gz PJVYVZYLLBSREX-OALUTQOASA-N 2 1 302.462 3.023 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000360238326 434555909 /nfs/dbraw/zinc/55/59/09/434555909.db2.gz MVVJBHAEMTWFJR-RTBURBONSA-N 2 1 302.462 3.289 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000353988845 434558489 /nfs/dbraw/zinc/55/84/89/434558489.db2.gz YHTMEWVRBHOSOU-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000353988845 434558494 /nfs/dbraw/zinc/55/84/94/434558494.db2.gz YHTMEWVRBHOSOU-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OCC ZINC000527744709 295124270 /nfs/dbraw/zinc/12/42/70/295124270.db2.gz KLKZPZKOYQPSNC-HXUWFJFHSA-N 2 1 318.505 3.488 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@@H]3CC34CC4)CCCC2)CC1 ZINC000527859182 295141566 /nfs/dbraw/zinc/14/15/66/295141566.db2.gz DFAXJEDZMZAZCM-WBVHZDCISA-N 2 1 306.494 3.188 20 0 DGADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)OC)c1 ZINC000527920177 295150399 /nfs/dbraw/zinc/15/03/99/295150399.db2.gz MGOOEIDCKAMURL-SFHVURJKSA-N 2 1 320.477 3.235 20 0 DGADMP CC(C)(C)[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527953377 295156292 /nfs/dbraw/zinc/15/62/92/295156292.db2.gz XANVEMPVADERFH-GOSISDBHSA-N 2 1 307.526 3.246 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527994473 295161755 /nfs/dbraw/zinc/16/17/55/295161755.db2.gz HYJZNZQVAIHQDJ-IUODEOHRSA-N 2 1 303.425 3.230 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)cn1 ZINC000528041643 295170450 /nfs/dbraw/zinc/17/04/50/295170450.db2.gz BVRVWAHXQWNTIL-SFHVURJKSA-N 2 1 317.477 3.394 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000528044790 295170728 /nfs/dbraw/zinc/17/07/28/295170728.db2.gz VADILFGRTNXTJZ-SFHVURJKSA-N 2 1 303.450 3.005 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000414189171 295208037 /nfs/dbraw/zinc/20/80/37/295208037.db2.gz QQJWVSSFEUWXFK-CVEARBPZSA-N 2 1 320.477 3.395 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@@H]2C)cc1 ZINC000420295758 295212685 /nfs/dbraw/zinc/21/26/85/295212685.db2.gz CPXCDNDXJNQCKX-KXBFYZLASA-N 2 1 310.441 3.184 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500485 295237272 /nfs/dbraw/zinc/23/72/72/295237272.db2.gz KIBVGZPTZLSVHT-BBRMVZONSA-N 2 1 306.450 3.180 20 0 DGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431944 434583187 /nfs/dbraw/zinc/58/31/87/434583187.db2.gz GBGJLDVLRCPQAM-YJBOKZPZSA-N 2 1 313.445 3.373 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000452083424 434583518 /nfs/dbraw/zinc/58/35/18/434583518.db2.gz TYHFLFHEHXMYND-SFHVURJKSA-N 2 1 309.542 3.161 20 0 DGADMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000349036070 434584475 /nfs/dbraw/zinc/58/44/75/434584475.db2.gz MCNOJMQIGQCPLX-UHFFFAOYSA-N 2 1 323.912 3.106 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1 ZINC000423957862 434590706 /nfs/dbraw/zinc/59/07/06/434590706.db2.gz PXVKTECPYRMYST-QGZVFWFLSA-N 2 1 319.493 3.022 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087453 434612551 /nfs/dbraw/zinc/61/25/51/434612551.db2.gz AOCZIDLCBMZYGA-MRXNPFEDSA-N 2 1 306.498 3.029 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420378918 295391477 /nfs/dbraw/zinc/39/14/77/295391477.db2.gz UTKOHTFIAAXZMW-BQFCYCMXSA-N 2 1 302.462 3.468 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000354095544 434615227 /nfs/dbraw/zinc/61/52/27/434615227.db2.gz CJZSFFLOKVWBOK-QGZVFWFLSA-N 2 1 316.445 3.366 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000354095743 434617043 /nfs/dbraw/zinc/61/70/43/434617043.db2.gz DXTZFBLSHPCKPG-QGZVFWFLSA-N 2 1 308.441 3.067 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349077946 434600412 /nfs/dbraw/zinc/60/04/12/434600412.db2.gz QUJLKDPQPMEIKX-UHFFFAOYSA-N 2 1 323.912 3.106 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000354083457 434609546 /nfs/dbraw/zinc/60/95/46/434609546.db2.gz NVPYUJRCCKUWPD-QGZVFWFLSA-N 2 1 310.869 3.273 20 0 DGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000424320579 434693879 /nfs/dbraw/zinc/69/38/79/434693879.db2.gz ICPILKNJKDGUAL-LSDHHAIUSA-N 2 1 312.498 3.207 20 0 DGADMP CCCn1c2ccccc2nc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459747034 434696087 /nfs/dbraw/zinc/69/60/87/434696087.db2.gz ZPKGXDIATPHLQI-MRXNPFEDSA-N 2 1 314.477 3.268 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000459652039 434647663 /nfs/dbraw/zinc/64/76/63/434647663.db2.gz PVWVVXFSCQHQPY-CQSZACIVSA-N 2 1 318.490 3.101 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cn1 ZINC000354160814 434647894 /nfs/dbraw/zinc/64/78/94/434647894.db2.gz ZDPOZLWQHQOTFZ-VQIMIIECSA-N 2 1 303.494 3.423 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371301092 434663905 /nfs/dbraw/zinc/66/39/05/434663905.db2.gz DEJSGRLYPUIQSO-RLLQIKCJSA-N 2 1 315.505 3.096 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000354201299 434669892 /nfs/dbraw/zinc/66/98/92/434669892.db2.gz YEDPPLGBOAHZTH-NCOADZHNSA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000354201299 434669896 /nfs/dbraw/zinc/66/98/96/434669896.db2.gz YEDPPLGBOAHZTH-NCOADZHNSA-N 2 1 324.509 3.064 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424264714 434670091 /nfs/dbraw/zinc/67/00/91/434670091.db2.gz UPDDGHBBEIYJIZ-INIZCTEOSA-N 2 1 301.459 3.111 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000371334844 434672110 /nfs/dbraw/zinc/67/21/10/434672110.db2.gz HMLBLYDHKYGNNC-LJQANCHMSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424281824 434674640 /nfs/dbraw/zinc/67/46/40/434674640.db2.gz KASFRILRRZKRNR-KRWDZBQOSA-N 2 1 313.470 3.278 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000459724325 434674770 /nfs/dbraw/zinc/67/47/70/434674770.db2.gz ANMVREDDTSKKKB-AOIWGVFYSA-N 2 1 301.478 3.429 20 0 DGADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1O ZINC000360713505 434675309 /nfs/dbraw/zinc/67/53/09/434675309.db2.gz MFVKEKFYCMCWGD-HOTGVXAUSA-N 2 1 320.477 3.249 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000459723884 434675902 /nfs/dbraw/zinc/67/59/02/434675902.db2.gz DFSLUHQCWSQBKH-CQSZACIVSA-N 2 1 316.474 3.027 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224717 434676576 /nfs/dbraw/zinc/67/65/76/434676576.db2.gz OWDVPRGCKQPMTA-DOTOQJQBSA-N 2 1 318.461 3.073 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226056 434678410 /nfs/dbraw/zinc/67/84/10/434678410.db2.gz UYPCEFQUDFXYCJ-ZBFHGGJFSA-N 2 1 312.461 3.243 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729734 434679712 /nfs/dbraw/zinc/67/97/12/434679712.db2.gz DNTUNFYHYPBXKK-AEFFLSMTSA-N 2 1 304.478 3.338 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459738775 434687940 /nfs/dbraw/zinc/68/79/40/434687940.db2.gz JKDNZIITUHCMMR-AITUJVMLSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC000424307323 434688281 /nfs/dbraw/zinc/68/82/81/434688281.db2.gz XJYYSPTXZMPDEK-SPOLIRPYSA-N 2 1 308.510 3.290 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459736540 434688282 /nfs/dbraw/zinc/68/82/82/434688282.db2.gz GLFLVHUTSRTYIA-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459736540 434688293 /nfs/dbraw/zinc/68/82/93/434688293.db2.gz GLFLVHUTSRTYIA-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC000424307323 434688291 /nfs/dbraw/zinc/68/82/91/434688291.db2.gz XJYYSPTXZMPDEK-SPOLIRPYSA-N 2 1 308.510 3.290 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1C ZINC000349356695 434690061 /nfs/dbraw/zinc/69/00/61/434690061.db2.gz WDLDYMHFWLYLRB-UHFFFAOYSA-N 2 1 320.477 3.320 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1C ZINC000349356695 434690069 /nfs/dbraw/zinc/69/00/69/434690069.db2.gz WDLDYMHFWLYLRB-UHFFFAOYSA-N 2 1 320.477 3.320 20 0 DGADMP CN(C)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411214099 434746783 /nfs/dbraw/zinc/74/67/83/434746783.db2.gz DSRSPNJDDUMSNQ-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411214099 434746790 /nfs/dbraw/zinc/74/67/90/434746790.db2.gz DSRSPNJDDUMSNQ-HXUWFJFHSA-N 2 1 315.505 3.199 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(-n2ccnc2)cc1 ZINC000349413886 434708254 /nfs/dbraw/zinc/70/82/54/434708254.db2.gz FXCDWYMFWBRDSG-UHFFFAOYSA-N 2 1 314.477 3.426 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)cs1 ZINC000424368759 434714041 /nfs/dbraw/zinc/71/40/41/434714041.db2.gz AIYPSVOVDAFUFG-JMJZKYOTSA-N 2 1 303.269 3.431 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459783501 434718726 /nfs/dbraw/zinc/71/87/26/434718726.db2.gz NICJMUZILODVMA-HNAYVOBHSA-N 2 1 302.462 3.394 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000354331760 434725020 /nfs/dbraw/zinc/72/50/20/434725020.db2.gz SCHNWIPJIJLIJN-MUYFXNHWSA-N 2 1 324.509 3.208 20 0 DGADMP COc1ccc2nc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)sc2c1 ZINC000459796780 434725258 /nfs/dbraw/zinc/72/52/58/434725258.db2.gz WHUGQOXHZGEVIK-CYBMUJFWSA-N 2 1 319.474 3.126 20 0 DGADMP c1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccc1C[NH+]1CCCCC1 ZINC000411183806 434740126 /nfs/dbraw/zinc/74/01/26/434740126.db2.gz DEQVMJXOUCWVTJ-PMACEKPBSA-N 2 1 314.473 3.426 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)cc1 ZINC000361024892 434770517 /nfs/dbraw/zinc/77/05/17/434770517.db2.gz FVNSVIGBSMOLDF-RDGPPVDQSA-N 2 1 300.446 3.123 20 0 DGADMP OCCCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411287310 434758996 /nfs/dbraw/zinc/75/89/96/434758996.db2.gz YFDMKKLVNGJQRN-UHFFFAOYSA-N 2 1 316.489 3.409 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000411307880 434760364 /nfs/dbraw/zinc/76/03/64/434760364.db2.gz IJHBPMXFARUQHG-PKOBYXMFSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000411307880 434760368 /nfs/dbraw/zinc/76/03/68/434760368.db2.gz IJHBPMXFARUQHG-PKOBYXMFSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307880 434760371 /nfs/dbraw/zinc/76/03/71/434760371.db2.gz IJHBPMXFARUQHG-PKOBYXMFSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307880 434760376 /nfs/dbraw/zinc/76/03/76/434760376.db2.gz IJHBPMXFARUQHG-PKOBYXMFSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@H]1OCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1C ZINC000411329213 434763087 /nfs/dbraw/zinc/76/30/87/434763087.db2.gz QUGOYQVIKMGWHV-IAGOWNOFSA-N 2 1 302.462 3.282 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1c(C)cccc1C ZINC000411397072 434772879 /nfs/dbraw/zinc/77/28/79/434772879.db2.gz GRKCDWOHNZSBHE-UHFFFAOYSA-N 2 1 301.434 3.209 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1c(C)cccc1C ZINC000411397072 434772883 /nfs/dbraw/zinc/77/28/83/434772883.db2.gz GRKCDWOHNZSBHE-UHFFFAOYSA-N 2 1 301.434 3.209 20 0 DGADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411398143 434774104 /nfs/dbraw/zinc/77/41/04/434774104.db2.gz AXWVFLRJWAZKMG-XLIONFOSSA-N 2 1 316.489 3.408 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000453057829 434786982 /nfs/dbraw/zinc/78/69/82/434786982.db2.gz NQBQKPDMILGTDQ-YRPNKDGESA-N 2 1 314.473 3.198 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453061432 434787618 /nfs/dbraw/zinc/78/76/18/434787618.db2.gz BMROLSSFZVEAFT-LWYYNNOASA-N 2 1 314.473 3.056 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cs1 ZINC000453105419 434802742 /nfs/dbraw/zinc/80/27/42/434802742.db2.gz BSFRENVSFDIFAE-LSDHHAIUSA-N 2 1 308.491 3.208 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1(O)CCC1 ZINC000411522780 434793986 /nfs/dbraw/zinc/79/39/86/434793986.db2.gz BZDKCPGLVFOCCU-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP O[C@@]1(C2CC2)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411699752 434818394 /nfs/dbraw/zinc/81/83/94/434818394.db2.gz UUGDNZBEEHZBFD-FQEVSTJZSA-N 2 1 314.473 3.019 20 0 DGADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000453194262 434825552 /nfs/dbraw/zinc/82/55/52/434825552.db2.gz HHTFIFCESXDEAX-VQTJNVASSA-N 2 1 316.489 3.312 20 0 DGADMP OCCC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411871966 434837361 /nfs/dbraw/zinc/83/73/61/434837361.db2.gz LTYGAPLHTPKBGW-GOSISDBHSA-N 2 1 316.489 3.267 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011757 434853033 /nfs/dbraw/zinc/85/30/33/434853033.db2.gz KWESLIPKISCXOC-OALUTQOASA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011757 434853036 /nfs/dbraw/zinc/85/30/36/434853036.db2.gz KWESLIPKISCXOC-OALUTQOASA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011757 434853039 /nfs/dbraw/zinc/85/30/39/434853039.db2.gz KWESLIPKISCXOC-OALUTQOASA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011757 434853041 /nfs/dbraw/zinc/85/30/41/434853041.db2.gz KWESLIPKISCXOC-OALUTQOASA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412017114 434854570 /nfs/dbraw/zinc/85/45/70/434854570.db2.gz ZBDUFVGORBXVSY-SLFFLAALSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412017114 434854572 /nfs/dbraw/zinc/85/45/72/434854572.db2.gz ZBDUFVGORBXVSY-SLFFLAALSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000412017114 434854575 /nfs/dbraw/zinc/85/45/75/434854575.db2.gz ZBDUFVGORBXVSY-SLFFLAALSA-N 2 1 316.489 3.100 20 0 DGADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000412017114 434854577 /nfs/dbraw/zinc/85/45/77/434854577.db2.gz ZBDUFVGORBXVSY-SLFFLAALSA-N 2 1 316.489 3.100 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412016511 434855198 /nfs/dbraw/zinc/85/51/98/434855198.db2.gz WBQIPEZTZAWQMI-GOSISDBHSA-N 2 1 311.429 3.045 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412016511 434855199 /nfs/dbraw/zinc/85/51/99/434855199.db2.gz WBQIPEZTZAWQMI-GOSISDBHSA-N 2 1 311.429 3.045 20 0 DGADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000573212130 434882382 /nfs/dbraw/zinc/88/23/82/434882382.db2.gz KOFCNRIFDJWAPT-HNNXBMFYSA-N 2 1 308.441 3.436 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000521436288 434883060 /nfs/dbraw/zinc/88/30/60/434883060.db2.gz RLGZLBPUHHYXRK-MSOLQXFVSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000521436288 434883062 /nfs/dbraw/zinc/88/30/62/434883062.db2.gz RLGZLBPUHHYXRK-MSOLQXFVSA-N 2 1 302.462 3.153 20 0 DGADMP CCO[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335334 434891602 /nfs/dbraw/zinc/89/16/02/434891602.db2.gz OGJJEFUICZYYIT-ZWKOTPCHSA-N 2 1 319.493 3.412 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335334 434891604 /nfs/dbraw/zinc/89/16/04/434891604.db2.gz OGJJEFUICZYYIT-ZWKOTPCHSA-N 2 1 319.493 3.412 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000637856650 434894678 /nfs/dbraw/zinc/89/46/78/434894678.db2.gz HGOCFCYJSIVGEA-QAPCUYQASA-N 2 1 323.440 3.167 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000522014714 434906627 /nfs/dbraw/zinc/90/66/27/434906627.db2.gz WXHQNOJBCPPOGR-JKSUJKDBSA-N 2 1 315.486 3.288 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000462391871 434911068 /nfs/dbraw/zinc/91/10/68/434911068.db2.gz JIYFJGFPONWYQR-FQEVSTJZSA-N 2 1 310.441 3.294 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cnc(-c2ccccc2)nc1)CC1CCCC1 ZINC000573000955 434867978 /nfs/dbraw/zinc/86/79/78/434867978.db2.gz WVOCBIANVSIGCV-UHFFFAOYSA-N 2 1 324.472 3.485 20 0 DGADMP CC(C)c1ccc([C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119450 434871288 /nfs/dbraw/zinc/87/12/88/434871288.db2.gz FLSHFQHQAUSSGA-UXHICEINSA-N 2 1 316.489 3.402 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724574 434944614 /nfs/dbraw/zinc/94/46/14/434944614.db2.gz LWSDCLJITLZZRQ-NMLACTOBSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724574 434944620 /nfs/dbraw/zinc/94/46/20/434944620.db2.gz LWSDCLJITLZZRQ-NMLACTOBSA-N 2 1 314.473 3.186 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000523551286 434954165 /nfs/dbraw/zinc/95/41/65/434954165.db2.gz RPUYXADPZNFVDB-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1C ZINC000638109749 434954849 /nfs/dbraw/zinc/95/48/49/434954849.db2.gz GMEXJMYQOABUON-BJLQDIEVSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1C ZINC000638109749 434954854 /nfs/dbraw/zinc/95/48/54/434954854.db2.gz GMEXJMYQOABUON-BJLQDIEVSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1C ZINC000638109749 434954857 /nfs/dbraw/zinc/95/48/57/434954857.db2.gz GMEXJMYQOABUON-BJLQDIEVSA-N 2 1 315.505 3.318 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000555003281 434956825 /nfs/dbraw/zinc/95/68/25/434956825.db2.gz RIWBOAFMOJOVSY-BMFZPTHFSA-N 2 1 314.395 3.337 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574198873 434959100 /nfs/dbraw/zinc/95/91/00/434959100.db2.gz FTQCLOBPTGCXGN-RAUXBKROSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn21 ZINC000574266606 434964342 /nfs/dbraw/zinc/96/43/42/434964342.db2.gz QSLAWSYTKJFWNF-HNNXBMFYSA-N 2 1 312.461 3.032 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn21 ZINC000574266606 434964348 /nfs/dbraw/zinc/96/43/48/434964348.db2.gz QSLAWSYTKJFWNF-HNNXBMFYSA-N 2 1 312.461 3.032 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000555530909 434976449 /nfs/dbraw/zinc/97/64/49/434976449.db2.gz WLMCPLNXVDNZBF-KURKYZTESA-N 2 1 324.509 3.210 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638361411 435014427 /nfs/dbraw/zinc/01/44/27/435014427.db2.gz PVXCXCFLIRJWOM-UHFFFAOYSA-N 2 1 319.537 3.417 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CC2(F)F)cc1F ZINC000638418564 435027502 /nfs/dbraw/zinc/02/75/02/435027502.db2.gz BOKSUZBDRGQJKB-GXFFZTMASA-N 2 1 309.335 3.453 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638301673 435000028 /nfs/dbraw/zinc/00/00/28/435000028.db2.gz CGTRTTSINUOTAU-RBUKOAKNSA-N 2 1 315.505 3.367 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)C[C@H]2C(C)C)c2ccccn21 ZINC000556274407 435003272 /nfs/dbraw/zinc/00/32/72/435003272.db2.gz WVZARKBHZGFSSZ-SFHVURJKSA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)C[C@H]2C(C)C)c2ccccn21 ZINC000556274407 435003274 /nfs/dbraw/zinc/00/32/74/435003274.db2.gz WVZARKBHZGFSSZ-SFHVURJKSA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)C(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000556385833 435006280 /nfs/dbraw/zinc/00/62/80/435006280.db2.gz LBAPPQVBANNQDX-HXUWFJFHSA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)C(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000556385833 435006284 /nfs/dbraw/zinc/00/62/84/435006284.db2.gz LBAPPQVBANNQDX-HXUWFJFHSA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000638358780 435012117 /nfs/dbraw/zinc/01/21/17/435012117.db2.gz KBYHAIYPXLRCGG-DJIMGWMZSA-N 2 1 306.494 3.187 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccc(F)cc2)C[C@H]1C ZINC000530902409 435058702 /nfs/dbraw/zinc/05/87/02/435058702.db2.gz VDODIGHJTBONQU-WBVHZDCISA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccc(F)cc2)C[C@H]1C ZINC000530902409 435058706 /nfs/dbraw/zinc/05/87/06/435058706.db2.gz VDODIGHJTBONQU-WBVHZDCISA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccc(F)cc2)C[C@H]1C ZINC000530902409 435058710 /nfs/dbraw/zinc/05/87/10/435058710.db2.gz VDODIGHJTBONQU-WBVHZDCISA-N 2 1 308.441 3.399 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000638669809 435068157 /nfs/dbraw/zinc/06/81/57/435068157.db2.gz CEHNPXWZJYNZEB-UXLLHSPISA-N 2 1 308.491 3.146 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000638669809 435068161 /nfs/dbraw/zinc/06/81/61/435068161.db2.gz CEHNPXWZJYNZEB-UXLLHSPISA-N 2 1 308.491 3.146 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(OC)c2)C[C@@H]1C ZINC000531140232 435073927 /nfs/dbraw/zinc/07/39/27/435073927.db2.gz KNIVKIOMPQXGPL-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(OC)c2)C[C@@H]1C ZINC000531140232 435073931 /nfs/dbraw/zinc/07/39/31/435073931.db2.gz KNIVKIOMPQXGPL-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(OC)c2)C[C@@H]1C ZINC000531140232 435073933 /nfs/dbraw/zinc/07/39/33/435073933.db2.gz KNIVKIOMPQXGPL-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638702843 435074601 /nfs/dbraw/zinc/07/46/01/435074601.db2.gz SXLOSPQNCHFBGT-AEFFLSMTSA-N 2 1 302.462 3.369 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638702843 435074607 /nfs/dbraw/zinc/07/46/07/435074607.db2.gz SXLOSPQNCHFBGT-AEFFLSMTSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000558419253 435089246 /nfs/dbraw/zinc/08/92/46/435089246.db2.gz RMROKMQALVRFHW-QWFCFKBJSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000558419253 435089250 /nfs/dbraw/zinc/08/92/50/435089250.db2.gz RMROKMQALVRFHW-QWFCFKBJSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000558419253 435089253 /nfs/dbraw/zinc/08/92/53/435089253.db2.gz RMROKMQALVRFHW-QWFCFKBJSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000558419253 435089257 /nfs/dbraw/zinc/08/92/57/435089257.db2.gz RMROKMQALVRFHW-QWFCFKBJSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000558419253 435089260 /nfs/dbraw/zinc/08/92/60/435089260.db2.gz RMROKMQALVRFHW-QWFCFKBJSA-N 2 1 315.505 3.142 20 0 DGADMP CO[C@H](C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638797719 435089322 /nfs/dbraw/zinc/08/93/22/435089322.db2.gz VNBCLMXOIQZYCC-IMFGXOCKSA-N 2 1 316.489 3.302 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638449131 435034322 /nfs/dbraw/zinc/03/43/22/435034322.db2.gz NDNIIXHHMIGCQG-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCOCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638588738 435055995 /nfs/dbraw/zinc/05/59/95/435055995.db2.gz MRFPLAHGYQFTNQ-AZUAARDMSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCOCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638588738 435055998 /nfs/dbraw/zinc/05/59/98/435055998.db2.gz MRFPLAHGYQFTNQ-AZUAARDMSA-N 2 1 314.473 3.371 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000532187243 435146358 /nfs/dbraw/zinc/14/63/58/435146358.db2.gz UEZLOPDURKUKIL-XJKSGUPXSA-N 2 1 312.404 3.150 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811452 435093111 /nfs/dbraw/zinc/09/31/11/435093111.db2.gz AKATZBOVVMHRPM-PXNSSMCTSA-N 2 1 322.456 3.243 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811452 435093117 /nfs/dbraw/zinc/09/31/17/435093117.db2.gz AKATZBOVVMHRPM-PXNSSMCTSA-N 2 1 322.456 3.243 20 0 DGADMP CC(C)c1[nH+]c(CNC2CC[NH+](C3CC3)CC2)c2ccccn21 ZINC000578591920 435095456 /nfs/dbraw/zinc/09/54/56/435095456.db2.gz CUUDOKXOVICOHU-UHFFFAOYSA-N 2 1 312.461 3.174 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC(C)C)[C@@H](C)C1 ZINC000531700251 435111466 /nfs/dbraw/zinc/11/14/66/435111466.db2.gz ZOFJNMYEDDDQEY-QFBILLFUSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000531722033 435112719 /nfs/dbraw/zinc/11/27/19/435112719.db2.gz YGPGLAPFIMIFDK-IEBWSBKVSA-N 3 1 309.542 3.349 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000531722035 435113541 /nfs/dbraw/zinc/11/35/41/435113541.db2.gz YGPGLAPFIMIFDK-PKOBYXMFSA-N 3 1 309.542 3.349 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000531724462 435113844 /nfs/dbraw/zinc/11/38/44/435113844.db2.gz YYHQYWWWWDLTCQ-GVDBMIGSSA-N 2 1 317.477 3.093 20 0 DGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000531724462 435113848 /nfs/dbraw/zinc/11/38/48/435113848.db2.gz YYHQYWWWWDLTCQ-GVDBMIGSSA-N 2 1 317.477 3.093 20 0 DGADMP C[NH+](C)Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000467454861 435121967 /nfs/dbraw/zinc/12/19/67/435121967.db2.gz KEGBFLSOXUCXFN-HOTGVXAUSA-N 2 1 307.869 3.440 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)CC1 ZINC000579041625 435126614 /nfs/dbraw/zinc/12/66/14/435126614.db2.gz RALYTJRJYIMOTO-INIZCTEOSA-N 2 1 315.436 3.471 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000468813657 435128735 /nfs/dbraw/zinc/12/87/35/435128735.db2.gz CBWAJHCUFOKMAO-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531972363 435131317 /nfs/dbraw/zinc/13/13/17/435131317.db2.gz JVTKAGZEQWDDIA-UXHICEINSA-N 2 1 316.489 3.210 20 0 DGADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000559751884 435138815 /nfs/dbraw/zinc/13/88/15/435138815.db2.gz OHXHUKJNBOEZRZ-UYAOXDASSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000559751884 435138818 /nfs/dbraw/zinc/13/88/18/435138818.db2.gz OHXHUKJNBOEZRZ-UYAOXDASSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000559751884 435138823 /nfs/dbraw/zinc/13/88/23/435138823.db2.gz OHXHUKJNBOEZRZ-UYAOXDASSA-N 2 1 315.505 3.286 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000471838406 435139120 /nfs/dbraw/zinc/13/91/20/435139120.db2.gz LYDGEVSTSNTVHK-PMACEKPBSA-N 2 1 316.489 3.085 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075260 435145482 /nfs/dbraw/zinc/14/54/82/435145482.db2.gz GTGRSIIKXAXUCJ-LEAZDLGRSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075260 435145485 /nfs/dbraw/zinc/14/54/85/435145485.db2.gz GTGRSIIKXAXUCJ-LEAZDLGRSA-N 2 1 314.473 3.248 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)c2ncc[nH]2)cc1)C(C)C ZINC000560698455 435187475 /nfs/dbraw/zinc/18/74/75/435187475.db2.gz LAQBZOWMXNKYIB-CQSZACIVSA-N 2 1 314.433 3.131 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000639195288 435194388 /nfs/dbraw/zinc/19/43/88/435194388.db2.gz SJRTXMVNQGUYPJ-QRQLOZEOSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000639195288 435194391 /nfs/dbraw/zinc/19/43/91/435194391.db2.gz SJRTXMVNQGUYPJ-QRQLOZEOSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203240 435196748 /nfs/dbraw/zinc/19/67/48/435196748.db2.gz IIBRSMHUFOHBCZ-SFHVURJKSA-N 2 1 317.383 3.041 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN(C)c2ccccc2)C[C@H]1C ZINC000580068498 435201934 /nfs/dbraw/zinc/20/19/34/435201934.db2.gz KLVKXKOKHCMQDQ-MJGOQNOKSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN(C)c2ccccc2)C[C@H]1C ZINC000580068498 435201936 /nfs/dbraw/zinc/20/19/36/435201936.db2.gz KLVKXKOKHCMQDQ-MJGOQNOKSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN(C)c2ccccc2)C[C@H]1C ZINC000580068498 435201937 /nfs/dbraw/zinc/20/19/37/435201937.db2.gz KLVKXKOKHCMQDQ-MJGOQNOKSA-N 2 1 303.494 3.318 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025391 435205332 /nfs/dbraw/zinc/20/53/32/435205332.db2.gz IHXXUCDPIRBTOM-OALUTQOASA-N 2 1 322.456 3.060 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532249281 435151693 /nfs/dbraw/zinc/15/16/93/435151693.db2.gz USWBSPXMCZDUAO-KJWYOANISA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249281 435151697 /nfs/dbraw/zinc/15/16/97/435151697.db2.gz USWBSPXMCZDUAO-KJWYOANISA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249281 435151699 /nfs/dbraw/zinc/15/16/99/435151699.db2.gz USWBSPXMCZDUAO-KJWYOANISA-N 2 1 323.912 3.261 20 0 DGADMP FC(F)COCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639093860 435152734 /nfs/dbraw/zinc/15/27/34/435152734.db2.gz BTDGVBHXXRMCFN-RDJZCZTQSA-N 2 1 324.415 3.226 20 0 DGADMP FC(F)COCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639093860 435152737 /nfs/dbraw/zinc/15/27/37/435152737.db2.gz BTDGVBHXXRMCFN-RDJZCZTQSA-N 2 1 324.415 3.226 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639098820 435154383 /nfs/dbraw/zinc/15/43/83/435154383.db2.gz YROOVHKDWDLISV-ZSXHRAQDSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639098820 435154388 /nfs/dbraw/zinc/15/43/88/435154388.db2.gz YROOVHKDWDLISV-ZSXHRAQDSA-N 2 1 314.473 3.105 20 0 DGADMP CC[C@@](C)(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114098 435160020 /nfs/dbraw/zinc/16/00/20/435160020.db2.gz FDOHFXNPFPENIX-SFHVURJKSA-N 2 1 305.466 3.214 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000560354312 435162724 /nfs/dbraw/zinc/16/27/24/435162724.db2.gz IVXWZPLOSGDOGY-QAPCUYQASA-N 2 1 304.478 3.168 20 0 DGADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000639118770 435163099 /nfs/dbraw/zinc/16/30/99/435163099.db2.gz REWLZLKWYYRNIM-YTQUADARSA-N 2 1 304.478 3.159 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000532450173 435166594 /nfs/dbraw/zinc/16/65/94/435166594.db2.gz TUOHOWNBAIRWES-NSHGMRRFSA-N 2 1 317.521 3.389 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCC[C@H]4CCO4)C3)C2)cc1 ZINC000639162471 435178350 /nfs/dbraw/zinc/17/83/50/435178350.db2.gz SGFNHXRSINLGEU-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCC[C@H]4CCO4)C3)C2)cc1 ZINC000639162471 435178353 /nfs/dbraw/zinc/17/83/53/435178353.db2.gz SGFNHXRSINLGEU-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCC[C@H]4CCO4)C3)C2)cc1 ZINC000639162471 435178358 /nfs/dbraw/zinc/17/83/58/435178358.db2.gz SGFNHXRSINLGEU-PMACEKPBSA-N 2 1 314.473 3.154 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2N)C1 ZINC000639169078 435181169 /nfs/dbraw/zinc/18/11/69/435181169.db2.gz BNVWSFLYUJTKLW-NSHDSACASA-N 2 1 316.276 3.396 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639169078 435181171 /nfs/dbraw/zinc/18/11/71/435181171.db2.gz BNVWSFLYUJTKLW-NSHDSACASA-N 2 1 316.276 3.396 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639169078 435181175 /nfs/dbraw/zinc/18/11/75/435181175.db2.gz BNVWSFLYUJTKLW-NSHDSACASA-N 2 1 316.276 3.396 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000532640051 435182212 /nfs/dbraw/zinc/18/22/12/435182212.db2.gz KHONEPUYJXSNGP-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H](C[NH+]1C[C@@H](C)S[C@H](C)C1)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533290793 435222101 /nfs/dbraw/zinc/22/21/01/435222101.db2.gz MAHZPWZVRHRGMZ-QCODTGAPSA-N 2 1 316.580 3.274 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000580182186 435210464 /nfs/dbraw/zinc/21/04/64/435210464.db2.gz PKSQAGZDOCBMRE-SNVBAGLBSA-N 2 1 303.219 3.238 20 0 DGADMP COc1cccc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000533099551 435211641 /nfs/dbraw/zinc/21/16/41/435211641.db2.gz GOQYQTPCUMJELT-UHFFFAOYSA-N 2 1 320.477 3.126 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@H](C)C2 ZINC000580427175 435232050 /nfs/dbraw/zinc/23/20/50/435232050.db2.gz HAJMZVZRZCILKT-FUHIMQAGSA-N 2 1 316.489 3.319 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C2CC2)cc1 ZINC000639295175 435232408 /nfs/dbraw/zinc/23/24/08/435232408.db2.gz LQQXGDLSHWOBEX-RUGGUXRKSA-N 2 1 312.457 3.264 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C2CC2)cc1 ZINC000639295175 435232413 /nfs/dbraw/zinc/23/24/13/435232413.db2.gz LQQXGDLSHWOBEX-RUGGUXRKSA-N 2 1 312.457 3.264 20 0 DGADMP C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000158074888 298256806 /nfs/dbraw/zinc/25/68/06/298256806.db2.gz HUGPNZIAAOZIIH-MRXNPFEDSA-N 2 1 315.505 3.447 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000562019429 435246481 /nfs/dbraw/zinc/24/64/81/435246481.db2.gz LVFGMBOWNHCBCN-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639327194 435247327 /nfs/dbraw/zinc/24/73/27/435247327.db2.gz LPZLCPNAKGTBFH-KRWDZBQOSA-N 2 1 303.494 3.223 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639327194 435247331 /nfs/dbraw/zinc/24/73/31/435247331.db2.gz LPZLCPNAKGTBFH-KRWDZBQOSA-N 2 1 303.494 3.223 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CC[NH+](C)CC1 ZINC000584023181 435265842 /nfs/dbraw/zinc/26/58/42/435265842.db2.gz AGAREFYZPNJBNN-QBFSEMIESA-N 2 1 310.388 3.375 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396868 435284976 /nfs/dbraw/zinc/28/49/76/435284976.db2.gz KRTGYWCCMCEEKX-RTBURBONSA-N 2 1 302.462 3.179 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000639396868 435284984 /nfs/dbraw/zinc/28/49/84/435284984.db2.gz KRTGYWCCMCEEKX-RTBURBONSA-N 2 1 302.462 3.179 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)cc1OCC ZINC000639396094 435285056 /nfs/dbraw/zinc/28/50/56/435285056.db2.gz HGWQJHIJMDXFOG-QGZVFWFLSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1OCC ZINC000639396094 435285062 /nfs/dbraw/zinc/28/50/62/435285062.db2.gz HGWQJHIJMDXFOG-QGZVFWFLSA-N 2 1 318.461 3.010 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CN2CCC1CC2 ZINC000639397723 435285882 /nfs/dbraw/zinc/28/58/82/435285882.db2.gz OJESWIPPRRFSDI-KRWDZBQOSA-N 2 1 315.848 3.414 20 0 DGADMP CN(Cc1cc(Cl)cc2cccnc21)[C@H]1C[NH+]2CCC1CC2 ZINC000639397723 435285887 /nfs/dbraw/zinc/28/58/87/435285887.db2.gz OJESWIPPRRFSDI-KRWDZBQOSA-N 2 1 315.848 3.414 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477946749 435286323 /nfs/dbraw/zinc/28/63/23/435286323.db2.gz LWOGLCGZTSAUGU-POGZOPGASA-N 2 1 302.462 3.083 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000648438478 435298198 /nfs/dbraw/zinc/29/81/98/435298198.db2.gz PTNWHLDIWJUVMX-KVPLUYHFSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000534798599 435301305 /nfs/dbraw/zinc/30/13/05/435301305.db2.gz NLUDNGRXDQKIIX-XMTFNYHQSA-N 2 1 320.521 3.434 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000534798599 435301309 /nfs/dbraw/zinc/30/13/09/435301309.db2.gz NLUDNGRXDQKIIX-XMTFNYHQSA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000648444608 435302444 /nfs/dbraw/zinc/30/24/44/435302444.db2.gz IZKWELWVCCKVGT-HSALFYBXSA-N 2 1 316.489 3.098 20 0 DGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643032851 435263033 /nfs/dbraw/zinc/26/30/33/435263033.db2.gz IKODYAWJADMQOE-ABAIWWIYSA-N 2 1 321.346 3.442 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000639358947 435263255 /nfs/dbraw/zinc/26/32/55/435263255.db2.gz GGANWJHHLJMUKY-XLIONFOSSA-N 2 1 316.489 3.161 20 0 DGADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1 ZINC000535082994 435316932 /nfs/dbraw/zinc/31/69/32/435316932.db2.gz GNTUPYCTOYBAMJ-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CC[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457562 435329301 /nfs/dbraw/zinc/32/93/01/435329301.db2.gz MIRFCIURLKIXKB-AABGKKOBSA-N 2 1 315.505 3.019 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cs2)cc1 ZINC000643458852 435330337 /nfs/dbraw/zinc/33/03/37/435330337.db2.gz DTHKNGXYMOTDLI-VXGBXAGGSA-N 2 1 305.447 3.034 20 0 DGADMP Brc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000643468497 435331732 /nfs/dbraw/zinc/33/17/32/435331732.db2.gz JXYNHSRDACXGQW-YIONKMFJSA-N 2 1 321.262 3.311 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000643466761 435332742 /nfs/dbraw/zinc/33/27/42/435332742.db2.gz MOIQIBFPEQWTQZ-BDJLRTHQSA-N 2 1 317.820 3.286 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000567628874 435337199 /nfs/dbraw/zinc/33/71/99/435337199.db2.gz GQPDWRSPTOVJSG-SCLBCKFNSA-N 2 1 306.425 3.217 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CC2)c(F)c1 ZINC000567628874 435337204 /nfs/dbraw/zinc/33/72/04/435337204.db2.gz GQPDWRSPTOVJSG-SCLBCKFNSA-N 2 1 306.425 3.217 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000643522589 435341865 /nfs/dbraw/zinc/34/18/65/435341865.db2.gz PTCVEINPFFEZRG-HDYDNRTBSA-N 3 1 315.505 3.161 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000643529081 435344063 /nfs/dbraw/zinc/34/40/63/435344063.db2.gz UOEFCMCAEPSCND-KBPBESRZSA-N 2 1 302.393 3.403 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3cccnc32)C2CC3CC(C2)CC1C3 ZINC000643544894 435349340 /nfs/dbraw/zinc/34/93/40/435349340.db2.gz MMDVHUIKTPYPLW-ZOAQYOGUSA-N 2 1 311.473 3.202 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000535815203 435357007 /nfs/dbraw/zinc/35/70/07/435357007.db2.gz AOPHRUDTXMEJGR-UHFFFAOYSA-N 2 1 306.498 3.259 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1C(C)(C)C ZINC000535838787 435359178 /nfs/dbraw/zinc/35/91/78/435359178.db2.gz FZNJVFYQOPQLAO-JKSUJKDBSA-N 2 1 304.478 3.091 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000512540675 435360713 /nfs/dbraw/zinc/36/07/13/435360713.db2.gz AKWKHAQLZABUFO-GOSISDBHSA-N 2 1 322.880 3.492 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000535051588 435312279 /nfs/dbraw/zinc/31/22/79/435312279.db2.gz YBMUJKHNSRVJHW-UHFFFAOYSA-N 2 1 321.428 3.171 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000535051588 435312284 /nfs/dbraw/zinc/31/22/84/435312284.db2.gz YBMUJKHNSRVJHW-UHFFFAOYSA-N 2 1 321.428 3.171 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000535052887 435313411 /nfs/dbraw/zinc/31/34/11/435313411.db2.gz SDPNSWCKHCXROH-ROUUACIJSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000535052887 435313419 /nfs/dbraw/zinc/31/34/19/435313419.db2.gz SDPNSWCKHCXROH-ROUUACIJSA-N 2 1 302.462 3.186 20 0 DGADMP COc1cccc(C[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000535052887 435313424 /nfs/dbraw/zinc/31/34/24/435313424.db2.gz SDPNSWCKHCXROH-ROUUACIJSA-N 2 1 302.462 3.186 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000536709713 435405809 /nfs/dbraw/zinc/40/58/09/435405809.db2.gz JBYADOSSPXYLAO-RTBURBONSA-N 2 1 321.553 3.303 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000536709707 435406322 /nfs/dbraw/zinc/40/63/22/435406322.db2.gz JBYADOSSPXYLAO-MOPGFXCFSA-N 2 1 321.553 3.303 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639756570 435409129 /nfs/dbraw/zinc/40/91/29/435409129.db2.gz XKAYHSWWBCYYFA-INIZCTEOSA-N 2 1 302.462 3.216 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC(C)(C)C)n3)C2)CC1 ZINC000639757218 435409809 /nfs/dbraw/zinc/40/98/09/435409809.db2.gz JBEMNJFDGFBWHO-UHFFFAOYSA-N 2 1 317.477 3.177 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755829 435409924 /nfs/dbraw/zinc/40/99/24/435409924.db2.gz OGIGITDNTRBMOB-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCCOCc3ccccc3)C2)CC1 ZINC000639758861 435410268 /nfs/dbraw/zinc/41/02/68/435410268.db2.gz XLNULVWHKILCOV-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000536865018 435415214 /nfs/dbraw/zinc/41/52/14/435415214.db2.gz RTGIWGRPUAQTLA-NVXWUHKLSA-N 2 1 304.478 3.293 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000536998288 435420777 /nfs/dbraw/zinc/42/07/77/435420777.db2.gz NCYNIQIPKWGBOA-SUMWQHHRSA-N 2 1 317.433 3.162 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639641985 435376116 /nfs/dbraw/zinc/37/61/16/435376116.db2.gz OBKHWENQDIZXPU-DFQSSKMNSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639641985 435376122 /nfs/dbraw/zinc/37/61/22/435376122.db2.gz OBKHWENQDIZXPU-DFQSSKMNSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639641985 435376127 /nfs/dbraw/zinc/37/61/27/435376127.db2.gz OBKHWENQDIZXPU-DFQSSKMNSA-N 2 1 314.473 3.009 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095975 435376331 /nfs/dbraw/zinc/37/63/31/435376331.db2.gz ROXKDAFVYQMFHF-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000513095975 435376335 /nfs/dbraw/zinc/37/63/35/435376335.db2.gz ROXKDAFVYQMFHF-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513095975 435376336 /nfs/dbraw/zinc/37/63/36/435376336.db2.gz ROXKDAFVYQMFHF-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513095975 435376339 /nfs/dbraw/zinc/37/63/39/435376339.db2.gz ROXKDAFVYQMFHF-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@@H]4CCCOC4)C3)CC2)cc1 ZINC000643902103 435383414 /nfs/dbraw/zinc/38/34/14/435383414.db2.gz WNNYRWZWQRFHSX-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@H](O)C[N@@H+](C)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000513361821 435383596 /nfs/dbraw/zinc/38/35/96/435383596.db2.gz PNXFWRONKOSEFB-BWPKMQGJSA-N 2 1 322.880 3.130 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000568062035 435385496 /nfs/dbraw/zinc/38/54/96/435385496.db2.gz AXBYBCFWCDUYAB-FUHWJXTLSA-N 2 1 302.462 3.092 20 0 DGADMP c1cc(N2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000639684122 435391458 /nfs/dbraw/zinc/39/14/58/435391458.db2.gz RJOWKOWJMAJMGH-GOSISDBHSA-N 2 1 315.461 3.086 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000513513243 435391688 /nfs/dbraw/zinc/39/16/88/435391688.db2.gz SDRRGCNEIPWODP-IEBWSBKVSA-N 2 1 309.457 3.472 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH+]1CCCCCC1)CC2 ZINC000480697780 435391884 /nfs/dbraw/zinc/39/18/84/435391884.db2.gz LFLUFNBXZUUYOF-VQIMIIECSA-N 2 1 316.489 3.407 20 0 DGADMP c1cc(N2CCC[N@H+](CCCCC3CCOCC3)CC2)cc[nH+]1 ZINC000639684485 435391975 /nfs/dbraw/zinc/39/19/75/435391975.db2.gz VQVGQKNSNKVWQA-UHFFFAOYSA-N 2 1 317.477 3.191 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000480766522 435393301 /nfs/dbraw/zinc/39/33/01/435393301.db2.gz RHWHLULZYJEHPI-INIZCTEOSA-N 2 1 300.446 3.459 20 0 DGADMP COc1nc2ccccc2cc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000514971705 435451700 /nfs/dbraw/zinc/45/17/00/435451700.db2.gz CGBGPNKNYBZSJU-RDTXWAMCSA-N 2 1 313.445 3.015 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000482151882 435453190 /nfs/dbraw/zinc/45/31/90/435453190.db2.gz OYZBIULHXQMFRL-VQIMIIECSA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000482151882 435453195 /nfs/dbraw/zinc/45/31/95/435453195.db2.gz OYZBIULHXQMFRL-VQIMIIECSA-N 2 1 316.489 3.359 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000482151882 435453203 /nfs/dbraw/zinc/45/32/03/435453203.db2.gz OYZBIULHXQMFRL-VQIMIIECSA-N 2 1 316.489 3.359 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644547069 435453828 /nfs/dbraw/zinc/45/38/28/435453828.db2.gz IJHLZYSHBYMJGI-WIYYLYMNSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644547069 435453833 /nfs/dbraw/zinc/45/38/33/435453833.db2.gz IJHLZYSHBYMJGI-WIYYLYMNSA-N 2 1 324.468 3.065 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000644576925 435461335 /nfs/dbraw/zinc/46/13/35/435461335.db2.gz JCJPCPDACZWJGQ-VNTMZGSJSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000644576925 435461339 /nfs/dbraw/zinc/46/13/39/435461339.db2.gz JCJPCPDACZWJGQ-VNTMZGSJSA-N 2 1 316.489 3.038 20 0 DGADMP CCC(CC)(C[NH2+]CC1(O)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000515166373 435466435 /nfs/dbraw/zinc/46/64/35/435466435.db2.gz MXCXBCRATMDNAM-MRXNPFEDSA-N 2 1 304.478 3.401 20 0 DGADMP CCOC[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537941074 435476405 /nfs/dbraw/zinc/47/64/05/435476405.db2.gz HALROJXATKHUNX-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000537966902 435478147 /nfs/dbraw/zinc/47/81/47/435478147.db2.gz JTUGEYJGTJNRPO-YOEHRIQHSA-N 2 1 310.869 3.429 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657446 435479376 /nfs/dbraw/zinc/47/93/76/435479376.db2.gz RNKGGIBEZJSGMJ-HKUYNNGSSA-N 2 1 304.478 3.204 20 0 DGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657446 435479383 /nfs/dbraw/zinc/47/93/83/435479383.db2.gz RNKGGIBEZJSGMJ-HKUYNNGSSA-N 2 1 304.478 3.204 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000514634774 435425921 /nfs/dbraw/zinc/42/59/21/435425921.db2.gz JQPPXAIFUGHSSK-GOSISDBHSA-N 2 1 318.505 3.264 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000514634774 435425925 /nfs/dbraw/zinc/42/59/25/435425925.db2.gz JQPPXAIFUGHSSK-GOSISDBHSA-N 2 1 318.505 3.264 20 0 DGADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)c2)cn1 ZINC000568392592 435430869 /nfs/dbraw/zinc/43/08/69/435430869.db2.gz MMCUPLJWRQRRRP-PBHICJAKSA-N 2 1 317.458 3.325 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H](C)[N@@H+](C)C2CC2)c2ccccn21 ZINC000568402242 435434109 /nfs/dbraw/zinc/43/41/09/435434109.db2.gz XIDFBAVQVGASAY-AWEZNQCLSA-N 2 1 300.450 3.030 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000568512215 435441756 /nfs/dbraw/zinc/44/17/56/435441756.db2.gz KJNYMYIIWYMXLQ-HNNXBMFYSA-N 3 1 320.440 3.490 20 0 DGADMP COC1(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCCC1 ZINC000483269614 435505241 /nfs/dbraw/zinc/50/52/41/435505241.db2.gz HTULSVQSXONEBL-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP COC1(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000483269614 435505247 /nfs/dbraw/zinc/50/52/47/435505247.db2.gz HTULSVQSXONEBL-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP COC1(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000483269614 435505252 /nfs/dbraw/zinc/50/52/52/435505252.db2.gz HTULSVQSXONEBL-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000640079631 435512194 /nfs/dbraw/zinc/51/21/94/435512194.db2.gz LZZJLSDVKLCDNV-HSALFYBXSA-N 2 1 314.473 3.018 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000516436065 435530414 /nfs/dbraw/zinc/53/04/14/435530414.db2.gz PMRBHGFYAFUNOP-ZWKOTPCHSA-N 2 1 306.494 3.193 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000644676954 435487164 /nfs/dbraw/zinc/48/71/64/435487164.db2.gz BSFGGUMMRWVDOT-ZCNNSNEGSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000644676954 435487166 /nfs/dbraw/zinc/48/71/66/435487166.db2.gz BSFGGUMMRWVDOT-ZCNNSNEGSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](C[C@@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1)C1CC1 ZINC000644689601 435491044 /nfs/dbraw/zinc/49/10/44/435491044.db2.gz XQLFYYJGZMCAJK-IBGZPJMESA-N 2 1 317.477 3.298 20 0 DGADMP C[N@@H+](C[C@@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1)C1CC1 ZINC000644689601 435491046 /nfs/dbraw/zinc/49/10/46/435491046.db2.gz XQLFYYJGZMCAJK-IBGZPJMESA-N 2 1 317.477 3.298 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000640014951 435491355 /nfs/dbraw/zinc/49/13/55/435491355.db2.gz BNFYNLUNEKKTRB-UHFFFAOYSA-N 2 1 302.462 3.066 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000569026264 435497703 /nfs/dbraw/zinc/49/77/03/435497703.db2.gz LFIYLNYVDZTZFA-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000569026264 435497707 /nfs/dbraw/zinc/49/77/07/435497707.db2.gz LFIYLNYVDZTZFA-UXHICEINSA-N 2 1 309.457 3.358 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC000569647733 435548870 /nfs/dbraw/zinc/54/88/70/435548870.db2.gz WSFMKDZJLVOQAA-MRXNPFEDSA-N 2 1 318.509 3.288 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCCC2)C1 ZINC000569647733 435548876 /nfs/dbraw/zinc/54/88/76/435548876.db2.gz WSFMKDZJLVOQAA-MRXNPFEDSA-N 2 1 318.509 3.288 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407775 435550642 /nfs/dbraw/zinc/55/06/42/435550642.db2.gz OMJQNDAYJZKPCY-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407775 435550646 /nfs/dbraw/zinc/55/06/46/435550646.db2.gz OMJQNDAYJZKPCY-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407775 435550649 /nfs/dbraw/zinc/55/06/49/435550649.db2.gz OMJQNDAYJZKPCY-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000539407775 435550654 /nfs/dbraw/zinc/55/06/54/435550654.db2.gz OMJQNDAYJZKPCY-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP Cc1ccc2cc[nH+]c(NC[C@@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000569717225 435554842 /nfs/dbraw/zinc/55/48/42/435554842.db2.gz XGNKQDJEXFWUJU-QGZVFWFLSA-N 2 1 313.445 3.048 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)c1cccc(Br)c1 ZINC000569862156 435567802 /nfs/dbraw/zinc/56/78/02/435567802.db2.gz DHXQQWYXYNVPAW-JMSVASOKSA-N 2 1 311.267 3.364 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)c1cccc(Br)c1 ZINC000569862156 435567805 /nfs/dbraw/zinc/56/78/05/435567805.db2.gz DHXQQWYXYNVPAW-JMSVASOKSA-N 2 1 311.267 3.364 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCSC4)C[C@@H]3C2)cc1 ZINC000517022875 435569384 /nfs/dbraw/zinc/56/93/84/435569384.db2.gz HNRSQRCYPJCPSJ-OTWHNJEPSA-N 2 1 316.514 3.193 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000649416599 435583700 /nfs/dbraw/zinc/58/37/00/435583700.db2.gz FWFKWNOBUHUEAK-MAUKXSAKSA-N 2 1 311.429 3.433 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000649416599 435583703 /nfs/dbraw/zinc/58/37/03/435583703.db2.gz FWFKWNOBUHUEAK-MAUKXSAKSA-N 2 1 311.429 3.433 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(F)c1 ZINC000517241220 435583786 /nfs/dbraw/zinc/58/37/86/435583786.db2.gz QYLGDIGSIXJJKB-DYVFJYSZSA-N 2 1 303.381 3.114 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000539122058 435539454 /nfs/dbraw/zinc/53/94/54/435539454.db2.gz COQNLIXZDXMLTN-FRFSOERESA-N 2 1 310.869 3.427 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152301 435540558 /nfs/dbraw/zinc/54/05/58/435540558.db2.gz QKXOFNQPMSSBDZ-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152301 435540562 /nfs/dbraw/zinc/54/05/62/435540562.db2.gz QKXOFNQPMSSBDZ-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000539220429 435541526 /nfs/dbraw/zinc/54/15/26/435541526.db2.gz BLYSLCNSSHMSQC-ZWKOTPCHSA-N 2 1 309.542 3.161 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(c2nc3ccccc3n2C)CC1 ZINC000539185522 435543258 /nfs/dbraw/zinc/54/32/58/435543258.db2.gz DWDRBLJBBPSXGM-UHFFFAOYSA-N 2 1 300.450 3.130 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCN2C)CC1 ZINC000649551591 435621639 /nfs/dbraw/zinc/62/16/39/435621639.db2.gz FGIZXBDQQGAHDD-IEBWSBKVSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649551591 435621642 /nfs/dbraw/zinc/62/16/42/435621642.db2.gz FGIZXBDQQGAHDD-IEBWSBKVSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649551591 435621645 /nfs/dbraw/zinc/62/16/45/435621645.db2.gz FGIZXBDQQGAHDD-IEBWSBKVSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649551591 435621650 /nfs/dbraw/zinc/62/16/50/435621650.db2.gz FGIZXBDQQGAHDD-IEBWSBKVSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649551591 435621653 /nfs/dbraw/zinc/62/16/53/435621653.db2.gz FGIZXBDQQGAHDD-IEBWSBKVSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCC[C@H]2O)C1 ZINC000570507766 435625999 /nfs/dbraw/zinc/62/59/99/435625999.db2.gz WPCPNFOXORARRY-NCXUSEDFSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000570507766 435626003 /nfs/dbraw/zinc/62/60/03/435626003.db2.gz WPCPNFOXORARRY-NCXUSEDFSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000570507766 435626007 /nfs/dbraw/zinc/62/60/07/435626007.db2.gz WPCPNFOXORARRY-NCXUSEDFSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000540314961 435595653 /nfs/dbraw/zinc/59/56/53/435595653.db2.gz BDISJWGGVNESFL-HNBVOPMISA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3ccccc3n2C)C1 ZINC000540284876 435595967 /nfs/dbraw/zinc/59/59/67/435595967.db2.gz KSLGHQUOHJTDOH-DOTOQJQBSA-N 2 1 320.440 3.243 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000645415481 435640180 /nfs/dbraw/zinc/64/01/80/435640180.db2.gz ZRQCNVJXCFXUCU-WTGUMLROSA-N 2 1 316.489 3.473 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000645415481 435640183 /nfs/dbraw/zinc/64/01/83/435640183.db2.gz ZRQCNVJXCFXUCU-WTGUMLROSA-N 2 1 316.489 3.473 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000541066437 435637405 /nfs/dbraw/zinc/63/74/05/435637405.db2.gz DWIGOPUTRAUVGP-QGZVFWFLSA-N 2 1 312.498 3.016 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000519175565 435673660 /nfs/dbraw/zinc/67/36/60/435673660.db2.gz NKFMEKNPUHAGKA-IBGZPJMESA-N 2 1 312.461 3.256 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000519175565 435673666 /nfs/dbraw/zinc/67/36/66/435673666.db2.gz NKFMEKNPUHAGKA-IBGZPJMESA-N 2 1 312.461 3.256 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701075 435702385 /nfs/dbraw/zinc/70/23/85/435702385.db2.gz CNFSBCPHPDTEMV-SMDDNHRTSA-N 2 1 305.809 3.307 20 0 DGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701075 435702389 /nfs/dbraw/zinc/70/23/89/435702389.db2.gz CNFSBCPHPDTEMV-SMDDNHRTSA-N 2 1 305.809 3.307 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(Cl)c1F ZINC000571642456 435724206 /nfs/dbraw/zinc/72/42/06/435724206.db2.gz NLVVRZMQBWUTOF-MRXNPFEDSA-N 2 1 322.811 3.415 20 0 DGADMP c1ccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2c1 ZINC000655699543 435734302 /nfs/dbraw/zinc/73/43/02/435734302.db2.gz CBJUBGYFIOBYFS-HXUWFJFHSA-N 2 1 310.441 3.183 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894297 435735351 /nfs/dbraw/zinc/73/53/51/435735351.db2.gz HJZNDRWFNGKYAM-AWEZNQCLSA-N 2 1 301.409 3.383 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894297 435735353 /nfs/dbraw/zinc/73/53/53/435735353.db2.gz HJZNDRWFNGKYAM-AWEZNQCLSA-N 2 1 301.409 3.383 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894297 435735358 /nfs/dbraw/zinc/73/53/58/435735358.db2.gz HJZNDRWFNGKYAM-AWEZNQCLSA-N 2 1 301.409 3.383 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1Cl ZINC000520564830 435755600 /nfs/dbraw/zinc/75/56/00/435755600.db2.gz CLKZMLGRIJBOIQ-LBPRGKRZSA-N 2 1 314.857 3.396 20 0 DGADMP CCCOc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660460828 435759100 /nfs/dbraw/zinc/75/91/00/435759100.db2.gz IQHVVQDSECBJNV-QGZVFWFLSA-N 2 1 322.493 3.001 20 0 DGADMP CCCOc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660460828 435759106 /nfs/dbraw/zinc/75/91/06/435759106.db2.gz IQHVVQDSECBJNV-QGZVFWFLSA-N 2 1 322.493 3.001 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000655738794 435760478 /nfs/dbraw/zinc/76/04/78/435760478.db2.gz YMYWHRZRKHLFFX-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP Nc1cccc2c1ccnc2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678143 435760432 /nfs/dbraw/zinc/76/04/32/435760432.db2.gz MUUOXBFXKKUKFD-HNNXBMFYSA-N 2 1 310.445 3.351 20 0 DGADMP CC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655770791 435787967 /nfs/dbraw/zinc/78/79/67/435787967.db2.gz PJQJTSGOMJBKKI-KRWDZBQOSA-N 2 1 324.415 3.141 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC(F)(F)F ZINC000655775568 435790145 /nfs/dbraw/zinc/79/01/45/435790145.db2.gz BAXYIRGPGIKQCZ-DZGCQCFKSA-N 2 1 322.415 3.198 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651680510 435790811 /nfs/dbraw/zinc/79/08/11/435790811.db2.gz JTSJREQUJDHLQB-MOPGFXCFSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651680510 435790817 /nfs/dbraw/zinc/79/08/17/435790817.db2.gz JTSJREQUJDHLQB-MOPGFXCFSA-N 2 1 324.472 3.206 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1)[NH+]1CCCC1 ZINC000550096742 435791831 /nfs/dbraw/zinc/79/18/31/435791831.db2.gz LJPAAEMQNOZCGW-KZNAEPCWSA-N 2 1 324.509 3.353 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC[C@H]1C1CC1 ZINC000655777662 435794438 /nfs/dbraw/zinc/79/44/38/435794438.db2.gz WBUNGQRJRGAIBT-NEWSRXKRSA-N 2 1 306.494 3.046 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@H+](CC3CC3)C2)c2ccccn21 ZINC000651708323 435799814 /nfs/dbraw/zinc/79/98/14/435799814.db2.gz NCQJVNMMHKWUOB-INIZCTEOSA-N 2 1 312.461 3.032 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@@H+](CC3CC3)C2)c2ccccn21 ZINC000651708323 435799817 /nfs/dbraw/zinc/79/98/17/435799817.db2.gz NCQJVNMMHKWUOB-INIZCTEOSA-N 2 1 312.461 3.032 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000641772732 435816954 /nfs/dbraw/zinc/81/69/54/435816954.db2.gz BCRHBNAPQPKFHN-PMACEKPBSA-N 2 1 316.489 3.354 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551052275 435818386 /nfs/dbraw/zinc/81/83/86/435818386.db2.gz ZFYKOZUYNCRVRK-GBESFXJTSA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551052275 435818394 /nfs/dbraw/zinc/81/83/94/435818394.db2.gz ZFYKOZUYNCRVRK-GBESFXJTSA-N 2 1 304.478 3.209 20 0 DGADMP Clc1ccccc1CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472207 435766345 /nfs/dbraw/zinc/76/63/45/435766345.db2.gz IDMBBSPFLGQYSI-QGZVFWFLSA-N 2 1 322.880 3.069 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655752486 435771755 /nfs/dbraw/zinc/77/17/55/435771755.db2.gz YUGHZARWLAXTCW-BPUTZDHNSA-N 2 1 302.466 3.089 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655752486 435771759 /nfs/dbraw/zinc/77/17/59/435771759.db2.gz YUGHZARWLAXTCW-BPUTZDHNSA-N 2 1 302.466 3.089 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C[NH+](C)C ZINC000491593454 435778257 /nfs/dbraw/zinc/77/82/57/435778257.db2.gz GHGIVAOARAKEOI-LLVKDONJSA-N 2 1 322.346 3.054 20 0 DGADMP c1c2cnccc2oc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000651650952 435779514 /nfs/dbraw/zinc/77/95/14/435779514.db2.gz GHERSIZAQXEGJV-KBXCAEBGSA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000651650952 435779523 /nfs/dbraw/zinc/77/95/23/435779523.db2.gz GHERSIZAQXEGJV-KBXCAEBGSA-N 2 1 311.429 3.277 20 0 DGADMP c1c2cnccc2oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000651650952 435779525 /nfs/dbraw/zinc/77/95/25/435779525.db2.gz GHERSIZAQXEGJV-KBXCAEBGSA-N 2 1 311.429 3.277 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1ccc3ccccc3c1)CCO2 ZINC000646104342 435782513 /nfs/dbraw/zinc/78/25/13/435782513.db2.gz KIZZGHGVFXLYKS-UHFFFAOYSA-N 2 1 324.468 3.179 20 0 DGADMP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655763086 435784632 /nfs/dbraw/zinc/78/46/32/435784632.db2.gz KMXPPUKNJFWWKO-GOEBONIOSA-N 2 1 316.436 3.045 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000641799221 435828333 /nfs/dbraw/zinc/82/83/33/435828333.db2.gz OIVYWMKOBBSOOB-JKSUJKDBSA-N 2 1 305.466 3.147 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCOc1ccc(F)cc1)C2 ZINC000660656469 435842887 /nfs/dbraw/zinc/84/28/87/435842887.db2.gz SKMDFALVWGQMFQ-GOSISDBHSA-N 2 1 306.425 3.012 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1ccc(Cl)cc1)C2 ZINC000660653682 435844567 /nfs/dbraw/zinc/84/45/67/435844567.db2.gz CVQLKCAAPPAFLP-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000660653682 435844574 /nfs/dbraw/zinc/84/45/74/435844574.db2.gz CVQLKCAAPPAFLP-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000660653682 435844581 /nfs/dbraw/zinc/84/45/81/435844581.db2.gz CVQLKCAAPPAFLP-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660663664 435846899 /nfs/dbraw/zinc/84/68/99/435846899.db2.gz OSUUMYZISUWIGU-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc(SCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660663664 435846905 /nfs/dbraw/zinc/84/69/05/435846905.db2.gz OSUUMYZISUWIGU-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc(SCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660663664 435846915 /nfs/dbraw/zinc/84/69/15/435846915.db2.gz OSUUMYZISUWIGU-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000651865319 435847415 /nfs/dbraw/zinc/84/74/15/435847415.db2.gz UFZXRXPSQHMQMW-UHFFFAOYSA-N 2 1 318.490 3.273 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000651865319 435847419 /nfs/dbraw/zinc/84/74/19/435847419.db2.gz UFZXRXPSQHMQMW-UHFFFAOYSA-N 2 1 318.490 3.273 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000651866182 435849928 /nfs/dbraw/zinc/84/99/28/435849928.db2.gz XUVKSPITVHFNHV-UHFFFAOYSA-N 2 1 308.857 3.055 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000651866182 435849935 /nfs/dbraw/zinc/84/99/35/435849935.db2.gz XUVKSPITVHFNHV-UHFFFAOYSA-N 2 1 308.857 3.055 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCN(C)c2ccccc2)C1 ZINC000572635920 435850440 /nfs/dbraw/zinc/85/04/40/435850440.db2.gz LYPAEWQXZTUJTE-GOSISDBHSA-N 2 1 303.494 3.177 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000572635920 435850444 /nfs/dbraw/zinc/85/04/44/435850444.db2.gz LYPAEWQXZTUJTE-GOSISDBHSA-N 2 1 303.494 3.177 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000572635920 435850453 /nfs/dbraw/zinc/85/04/53/435850453.db2.gz LYPAEWQXZTUJTE-GOSISDBHSA-N 2 1 303.494 3.177 20 0 DGADMP COc1ccc(F)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000551908366 435858890 /nfs/dbraw/zinc/85/88/90/435858890.db2.gz FYMNNTJTYRRVCD-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP CC[C@@H](OCC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000651909145 435862420 /nfs/dbraw/zinc/86/24/20/435862420.db2.gz YLWKCFVJVZCURL-LJQANCHMSA-N 2 1 313.445 3.405 20 0 DGADMP CC[C@H](OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000651908467 435863104 /nfs/dbraw/zinc/86/31/04/435863104.db2.gz FJZULDUKRIWOGA-QRVBRYPASA-N 2 1 302.462 3.371 20 0 DGADMP Cc1cccc([C@H](C)[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660695348 435863265 /nfs/dbraw/zinc/86/32/65/435863265.db2.gz OUUHNYQQHMAKAT-KRWDZBQOSA-N 2 1 304.478 3.129 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000655941332 435864655 /nfs/dbraw/zinc/86/46/55/435864655.db2.gz QNRYJRCWQGHEAW-CABCVRRESA-N 2 1 308.416 3.219 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000655939894 435865452 /nfs/dbraw/zinc/86/54/52/435865452.db2.gz MHLGFXGYCZYFJU-HKUYNNGSSA-N 2 1 302.462 3.379 20 0 DGADMP C[C@@H]1CCSCC[NH+]1CCCC[N@@H+]1CCSCC[C@H]1C ZINC000551985829 435866827 /nfs/dbraw/zinc/86/68/27/435866827.db2.gz DETQQBHDSINIGM-HZPDHXFCSA-N 2 1 316.580 3.421 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000572855816 435876742 /nfs/dbraw/zinc/87/67/42/435876742.db2.gz NJGBDXUOLIYHQG-NWDGAFQWSA-N 2 1 305.422 3.309 20 0 DGADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000655826072 435826328 /nfs/dbraw/zinc/82/63/28/435826328.db2.gz FLMJNEWSKVUWAZ-KDURUIRLSA-N 3 1 317.521 3.074 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826072 435826331 /nfs/dbraw/zinc/82/63/31/435826331.db2.gz FLMJNEWSKVUWAZ-KDURUIRLSA-N 2 1 317.521 3.074 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccn1 ZINC000551268449 435826666 /nfs/dbraw/zinc/82/66/66/435826666.db2.gz WQUUVOYNOYTJBT-JYJNAYRXSA-N 2 1 305.466 3.109 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2(CO)CCC2)cc1 ZINC000652038311 435893473 /nfs/dbraw/zinc/89/34/73/435893473.db2.gz PQIZIRIPWQCYBQ-OAHLLOKOSA-N 2 1 313.445 3.384 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656195757 435909991 /nfs/dbraw/zinc/90/99/91/435909991.db2.gz GIFGEOLZYCGELJ-HHXXYDBFSA-N 3 1 301.478 3.072 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1OC ZINC000652220960 435926539 /nfs/dbraw/zinc/92/65/39/435926539.db2.gz NGQYTWLNIJKKLP-OAHLLOKOSA-N 2 1 308.466 3.332 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1OC ZINC000652220960 435926543 /nfs/dbraw/zinc/92/65/43/435926543.db2.gz NGQYTWLNIJKKLP-OAHLLOKOSA-N 2 1 308.466 3.332 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(OC)c1 ZINC000652220500 435926559 /nfs/dbraw/zinc/92/65/59/435926559.db2.gz BLHOLKHJGRQAIL-OAHLLOKOSA-N 2 1 308.466 3.332 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(OC)c1 ZINC000652220500 435926562 /nfs/dbraw/zinc/92/65/62/435926562.db2.gz BLHOLKHJGRQAIL-OAHLLOKOSA-N 2 1 308.466 3.332 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000665248208 435927642 /nfs/dbraw/zinc/92/76/42/435927642.db2.gz RSYGQOAVCFZTNE-CQSZACIVSA-N 2 1 313.367 3.339 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)cs1 ZINC000665247246 435929589 /nfs/dbraw/zinc/92/95/89/435929589.db2.gz YKLIXFIOHPCYTF-VIFPVBQESA-N 2 1 303.269 3.433 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000665255262 435930714 /nfs/dbraw/zinc/93/07/14/435930714.db2.gz NARJZRXLKFHVHQ-CUDZTTRCSA-N 2 1 302.462 3.165 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000665255090 435930967 /nfs/dbraw/zinc/93/09/67/435930967.db2.gz IOMHHWYIWKBIBP-FCLVOEFKSA-N 2 1 302.462 3.309 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCCC2)cc1F ZINC000665259789 435932286 /nfs/dbraw/zinc/93/22/86/435932286.db2.gz QBHXQEIUGQARPN-SKDZVZGDSA-N 2 1 320.452 3.448 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCCC2)cc1F ZINC000665259788 435933190 /nfs/dbraw/zinc/93/31/90/435933190.db2.gz QBHXQEIUGQARPN-OWQGQXMQSA-N 2 1 320.452 3.448 20 0 DGADMP CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259798 435933211 /nfs/dbraw/zinc/93/32/11/435933211.db2.gz QLBWMOHTQBBGCZ-ZMSDIMECSA-N 2 1 308.441 3.448 20 0 DGADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3[C@@H](C)CCC3(C)C)c2cc1C ZINC000650286450 435880013 /nfs/dbraw/zinc/88/00/13/435880013.db2.gz PJGUIQHGDMOGEJ-JKSUJKDBSA-N 2 1 315.461 3.277 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171499 435959812 /nfs/dbraw/zinc/95/98/12/435959812.db2.gz LXAKZQYQLOEXQV-JTDSTZFVSA-N 2 1 302.462 3.186 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)C1 ZINC000650708133 435994555 /nfs/dbraw/zinc/99/45/55/435994555.db2.gz UDKCRSQLZVXBHT-OGWOLHLISA-N 2 1 314.429 3.151 20 0 DGADMP CCCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650708184 435995180 /nfs/dbraw/zinc/99/51/80/435995180.db2.gz UZVHZGMPPXCZLG-ZCNNSNEGSA-N 2 1 316.489 3.357 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1C ZINC000647249427 435992601 /nfs/dbraw/zinc/99/26/01/435992601.db2.gz ZULLHYYPUOIMLX-UXHICEINSA-N 2 1 324.468 3.439 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000665282417 435937895 /nfs/dbraw/zinc/93/78/95/435937895.db2.gz XVKNOENFPJWHOK-QRQLOZEOSA-N 2 1 303.494 3.003 20 0 DGADMP Brc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000665279217 435938986 /nfs/dbraw/zinc/93/89/86/435938986.db2.gz ZMZNIPPVUDAXMR-YWCUFVOSSA-N 2 1 321.262 3.242 20 0 DGADMP FC(F)(F)c1cccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000665278404 435939024 /nfs/dbraw/zinc/93/90/24/435939024.db2.gz DNFVSIVUPSIQAC-AJQRCPHMSA-N 2 1 310.363 3.498 20 0 DGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348127 435953366 /nfs/dbraw/zinc/95/33/66/435953366.db2.gz VGRKMTHDLVOXBS-VAGZCVSGSA-N 2 1 324.415 3.244 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711258 435998640 /nfs/dbraw/zinc/99/86/40/435998640.db2.gz NDYYSKVLSIRPLN-HNAYVOBHSA-N 2 1 312.461 3.130 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)[C@H]1CC[NH3+] ZINC000650712028 435999672 /nfs/dbraw/zinc/99/96/72/435999672.db2.gz NMCOCUVKSXTLJO-BBRMVZONSA-N 2 1 318.490 3.098 20 0 DGADMP COc1ccc2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])sc2c1 ZINC000650712132 436000743 /nfs/dbraw/zinc/00/07/43/436000743.db2.gz RKBJLKAGXOOKOM-SWLSCSKDSA-N 2 1 319.474 3.254 20 0 DGADMP COc1ccc2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])sc2c1 ZINC000650712132 436000748 /nfs/dbraw/zinc/00/07/48/436000748.db2.gz RKBJLKAGXOOKOM-SWLSCSKDSA-N 2 1 319.474 3.254 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1C[NH3+] ZINC000650714892 436000784 /nfs/dbraw/zinc/00/07/84/436000784.db2.gz HBKPMGSJZMVKEJ-SJLPKXTDSA-N 2 1 316.470 3.211 20 0 DGADMP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650718418 436002679 /nfs/dbraw/zinc/00/26/79/436002679.db2.gz LKPXVJNTBOJYAO-UHFFFAOYSA-N 2 1 307.438 3.328 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650722304 436005556 /nfs/dbraw/zinc/00/55/56/436005556.db2.gz OZFSWUCZHOXBIU-IPMKNSEASA-N 2 1 302.462 3.164 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722145 436006171 /nfs/dbraw/zinc/00/61/71/436006171.db2.gz MHDFYLONNAUSCS-OTWHNJEPSA-N 2 1 302.462 3.110 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000650723013 436006593 /nfs/dbraw/zinc/00/65/93/436006593.db2.gz GGQADGQNNXCEPP-RLLQIKCJSA-N 2 1 314.473 3.425 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC000650724943 436007665 /nfs/dbraw/zinc/00/76/65/436007665.db2.gz PKMZCKNITNOHKF-YZGWKJHDSA-N 2 1 314.473 3.036 20 0 DGADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccncc1 ZINC000647301331 436008109 /nfs/dbraw/zinc/00/81/09/436008109.db2.gz FHQMKFKGTVQFMX-MJGOQNOKSA-N 2 1 319.493 3.259 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC000650723831 436008697 /nfs/dbraw/zinc/00/86/97/436008697.db2.gz USDKYLJLHDPUAZ-AABGKKOBSA-N 2 1 314.473 3.036 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723262 436009243 /nfs/dbraw/zinc/00/92/43/436009243.db2.gz KLCLOFZNMIAMJJ-VBSBHUPXSA-N 2 1 316.489 3.226 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694610 436013445 /nfs/dbraw/zinc/01/34/45/436013445.db2.gz SKGAFDFOLARFIG-IAGOWNOFSA-N 2 1 312.885 3.328 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694610 436013448 /nfs/dbraw/zinc/01/34/48/436013448.db2.gz SKGAFDFOLARFIG-IAGOWNOFSA-N 2 1 312.885 3.328 20 0 DGADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1C(C)C ZINC000650754321 436019551 /nfs/dbraw/zinc/01/95/51/436019551.db2.gz GGWWEPWMZUSDQC-LBPRGKRZSA-N 2 1 304.413 3.221 20 0 DGADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752677 436020618 /nfs/dbraw/zinc/02/06/18/436020618.db2.gz XEEHWWKLKOVWDX-ZDUSSCGKSA-N 2 1 302.393 3.452 20 0 DGADMP [NH3+]C1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000656789291 436047145 /nfs/dbraw/zinc/04/71/45/436047145.db2.gz LSPBAYYESNVNNX-UHFFFAOYSA-N 2 1 321.896 3.166 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CCCC1 ZINC000656789078 436048383 /nfs/dbraw/zinc/04/83/83/436048383.db2.gz IMEFURWAXPHMOI-UHFFFAOYSA-N 2 1 317.658 3.464 20 0 DGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707803 435995599 /nfs/dbraw/zinc/99/55/99/435995599.db2.gz NKVRFXCJLYPFIW-GTAWCEEGSA-N 2 1 316.489 3.084 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Cl ZINC000650707233 435995685 /nfs/dbraw/zinc/99/56/85/435995685.db2.gz BKGPOEGHHAQAFN-BQFCYCMXSA-N 2 1 322.880 3.367 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000650708563 435995872 /nfs/dbraw/zinc/99/58/72/435995872.db2.gz DTQNPUAABPIFOG-VAMGGRTRSA-N 2 1 314.473 3.282 20 0 DGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000647479798 436059692 /nfs/dbraw/zinc/05/96/92/436059692.db2.gz UUHOPJLKOQGAGX-RTBURBONSA-N 2 1 314.473 3.018 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480224 436060041 /nfs/dbraw/zinc/06/00/41/436060041.db2.gz HEUAZTDFBZWONI-FUHWJXTLSA-N 2 1 310.445 3.041 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480225 436060313 /nfs/dbraw/zinc/06/03/13/436060313.db2.gz HEUAZTDFBZWONI-SJLPKXTDSA-N 2 1 310.445 3.041 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000647479612 436060645 /nfs/dbraw/zinc/06/06/45/436060645.db2.gz NEUNUTGLUOMXMJ-BBRMVZONSA-N 2 1 316.474 3.102 20 0 DGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000647479612 436060648 /nfs/dbraw/zinc/06/06/48/436060648.db2.gz NEUNUTGLUOMXMJ-BBRMVZONSA-N 2 1 316.474 3.102 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480914 436061355 /nfs/dbraw/zinc/06/13/55/436061355.db2.gz ARBFYPRBCCZBQE-IRXDYDNUSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480914 436061362 /nfs/dbraw/zinc/06/13/62/436061362.db2.gz ARBFYPRBCCZBQE-IRXDYDNUSA-N 2 1 318.461 3.058 20 0 DGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000647479795 436061536 /nfs/dbraw/zinc/06/15/36/436061536.db2.gz UUHOPJLKOQGAGX-MOPGFXCFSA-N 2 1 314.473 3.018 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1F ZINC000647482412 436062290 /nfs/dbraw/zinc/06/22/90/436062290.db2.gz DDOZHVNUPOFGHT-AWEZNQCLSA-N 2 1 320.452 3.229 20 0 DGADMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482633 436062404 /nfs/dbraw/zinc/06/24/04/436062404.db2.gz VFNCNKFGVQNREG-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482975 436062868 /nfs/dbraw/zinc/06/28/68/436062868.db2.gz OEMAATJYHOQXJF-UHFFFAOYSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482975 436062872 /nfs/dbraw/zinc/06/28/72/436062872.db2.gz OEMAATJYHOQXJF-UHFFFAOYSA-N 2 1 314.351 3.302 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487581 436063730 /nfs/dbraw/zinc/06/37/30/436063730.db2.gz LWGXDVZPSGDYCC-QWHCGFSZSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487581 436063734 /nfs/dbraw/zinc/06/37/34/436063734.db2.gz LWGXDVZPSGDYCC-QWHCGFSZSA-N 2 1 311.267 3.223 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000647498403 436064837 /nfs/dbraw/zinc/06/48/37/436064837.db2.gz GQJMYEXYGMGAEJ-AAEUAGOBSA-N 2 1 307.488 3.431 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000647498403 436064844 /nfs/dbraw/zinc/06/48/44/436064844.db2.gz GQJMYEXYGMGAEJ-AAEUAGOBSA-N 2 1 307.488 3.431 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498114 436065760 /nfs/dbraw/zinc/06/57/60/436065760.db2.gz ALAGDLOEASYWIA-JKSUJKDBSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498114 436065763 /nfs/dbraw/zinc/06/57/63/436065763.db2.gz ALAGDLOEASYWIA-JKSUJKDBSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@H]1[NH3+] ZINC000647498178 436066129 /nfs/dbraw/zinc/06/61/29/436066129.db2.gz CDUCUHQAXPPGJL-JKSUJKDBSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@H]1[NH3+] ZINC000647498178 436066134 /nfs/dbraw/zinc/06/61/34/436066134.db2.gz CDUCUHQAXPPGJL-JKSUJKDBSA-N 2 1 306.450 3.042 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccnc2c1 ZINC000647544054 436076941 /nfs/dbraw/zinc/07/69/41/436076941.db2.gz VWUZPTUCPINTEC-IAGOWNOFSA-N 2 1 309.457 3.446 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543392 436077090 /nfs/dbraw/zinc/07/70/90/436077090.db2.gz MGZBKCOWLAOMSB-ZWKOTPCHSA-N 2 1 324.472 3.288 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543996 436077257 /nfs/dbraw/zinc/07/72/57/436077257.db2.gz VJBMSPRZUAFXAJ-RTBURBONSA-N 2 1 324.472 3.084 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543192 436077566 /nfs/dbraw/zinc/07/75/66/436077566.db2.gz IZFNYOXYNWMOOX-JKSUJKDBSA-N 2 1 324.415 3.500 20 0 DGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543485 436077650 /nfs/dbraw/zinc/07/76/50/436077650.db2.gz OHYUROQNEPOTJY-MSOLQXFVSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542695 436079271 /nfs/dbraw/zinc/07/92/71/436079271.db2.gz ABWJNLGLMLRSOC-GBSQEQHRSA-N 2 1 314.473 3.420 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC000647544398 436080095 /nfs/dbraw/zinc/08/00/95/436080095.db2.gz ZSUCZJFTBGCQRC-UONOGXRCSA-N 2 1 312.379 3.316 20 0 DGADMP CCOC[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000657111485 436080784 /nfs/dbraw/zinc/08/07/84/436080784.db2.gz ASFMBZFFPBDDSJ-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nc2c(s1)CCCC2 ZINC000647803158 436125534 /nfs/dbraw/zinc/12/55/34/436125534.db2.gz JBSPDBKQZGZHIE-GFCCVEGCSA-N 2 1 301.459 3.331 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815080 436127427 /nfs/dbraw/zinc/12/74/27/436127427.db2.gz ODOOTPMCNRSNBF-UHFFFAOYSA-N 2 1 302.462 3.289 20 0 DGADMP c1ccc2cc(OCC[N@@H+](C3CC3)C3CC[NH2+]CC3)ccc2c1 ZINC000647814726 436128049 /nfs/dbraw/zinc/12/80/49/436128049.db2.gz BMCULBBZRVSZNF-UHFFFAOYSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657313023 436132241 /nfs/dbraw/zinc/13/22/41/436132241.db2.gz PCGYWORXVTXDOK-CALCHBBNSA-N 2 1 318.509 3.141 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000651189047 436133425 /nfs/dbraw/zinc/13/34/25/436133425.db2.gz VFSLVNCTWDBJJJ-KZNAEPCWSA-N 2 1 303.494 3.360 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(CNCc2ccnn2-c2ccncc2)o1 ZINC000657317966 436134541 /nfs/dbraw/zinc/13/45/41/436134541.db2.gz GPGLDPBCCYFQSW-DYVFJYSZSA-N 2 1 308.385 3.274 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647884170 436140226 /nfs/dbraw/zinc/14/02/26/436140226.db2.gz WZKKMAXOCVNIJV-VQIMIIECSA-N 2 1 302.462 3.228 20 0 DGADMP Brc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647878458 436140445 /nfs/dbraw/zinc/14/04/45/436140445.db2.gz JKIOUCWDKSWQCW-SWLSCSKDSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1cccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647878458 436140450 /nfs/dbraw/zinc/14/04/50/436140450.db2.gz JKIOUCWDKSWQCW-SWLSCSKDSA-N 2 1 309.251 3.196 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225527 436141016 /nfs/dbraw/zinc/14/10/16/436141016.db2.gz HGTBRCJQJMUFCW-HZPDHXFCSA-N 2 1 312.461 3.080 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225527 436141029 /nfs/dbraw/zinc/14/10/29/436141029.db2.gz HGTBRCJQJMUFCW-HZPDHXFCSA-N 2 1 312.461 3.080 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](c2ccccc2)O1 ZINC000647882222 436141153 /nfs/dbraw/zinc/14/11/53/436141153.db2.gz XXHMCKXZOOZARF-APWZRJJASA-N 2 1 302.462 3.228 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225525 436141279 /nfs/dbraw/zinc/14/12/79/436141279.db2.gz HGTBRCJQJMUFCW-CVEARBPZSA-N 2 1 312.461 3.080 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000651225525 436141291 /nfs/dbraw/zinc/14/12/91/436141291.db2.gz HGTBRCJQJMUFCW-CVEARBPZSA-N 2 1 312.461 3.080 20 0 DGADMP Clc1ccc(O[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647890694 436142025 /nfs/dbraw/zinc/14/20/25/436142025.db2.gz DZYKNXQNNPDJOT-WCQYABFASA-N 2 1 315.244 3.056 20 0 DGADMP OCCC[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000647885824 436142298 /nfs/dbraw/zinc/14/22/98/436142298.db2.gz UCULXAHWVFMGLH-FQEVSTJZSA-N 2 1 316.489 3.138 20 0 DGADMP Brc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890735 436143001 /nfs/dbraw/zinc/14/30/01/436143001.db2.gz LZYAQKKRMOCUCL-DOMZBBRYSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890735 436143006 /nfs/dbraw/zinc/14/30/06/436143006.db2.gz LZYAQKKRMOCUCL-DOMZBBRYSA-N 2 1 309.251 3.196 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647906601 436144183 /nfs/dbraw/zinc/14/41/83/436144183.db2.gz OHRKBFAUECUJOA-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901306 436145374 /nfs/dbraw/zinc/14/53/74/436145374.db2.gz LUHVCXYMKDMQJF-WOJBJXKFSA-N 2 1 316.489 3.100 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789093 436118918 /nfs/dbraw/zinc/11/89/18/436118918.db2.gz YLNPBEWWIVVBTD-YZGWKJHDSA-N 3 1 315.505 3.005 20 0 DGADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000657296388 436120416 /nfs/dbraw/zinc/12/04/16/436120416.db2.gz GXYJALABSFDALW-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2ccc(F)cc2)cc1 ZINC000647800555 436123391 /nfs/dbraw/zinc/12/33/91/436123391.db2.gz FGPHOKHZQIHNGN-RTBURBONSA-N 2 1 314.404 3.374 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975745 436167105 /nfs/dbraw/zinc/16/71/05/436167105.db2.gz FLOIWHFERVXBHT-ILXRZTDVSA-N 2 1 320.481 3.140 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000647973973 436163757 /nfs/dbraw/zinc/16/37/57/436163757.db2.gz MVWKVBKILKETEP-GDBMZVCRSA-N 2 1 312.379 3.322 20 0 DGADMP c1ccc(SCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975717 436165591 /nfs/dbraw/zinc/16/55/91/436165591.db2.gz FELRXMONVHIYJW-DLBZAZTESA-N 2 1 304.503 3.490 20 0 DGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000647989544 436168459 /nfs/dbraw/zinc/16/84/59/436168459.db2.gz BRINDIPCWIVIJZ-NWDGAFQWSA-N 2 1 317.260 3.302 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000666227998 436179817 /nfs/dbraw/zinc/17/98/17/436179817.db2.gz VBHZQLFPOHAUFJ-WMLDXEAASA-N 2 1 308.416 3.327 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657528970 436236762 /nfs/dbraw/zinc/23/67/62/436236762.db2.gz OGKNSSNKVRGBGA-VHBXLISGSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000657528970 436236768 /nfs/dbraw/zinc/23/67/68/436236768.db2.gz OGKNSSNKVRGBGA-VHBXLISGSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657528968 436236926 /nfs/dbraw/zinc/23/69/26/436236926.db2.gz OGKNSSNKVRGBGA-OTBHMBEGSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657528968 436236930 /nfs/dbraw/zinc/23/69/30/436236930.db2.gz OGKNSSNKVRGBGA-OTBHMBEGSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000653670644 436239102 /nfs/dbraw/zinc/23/91/02/436239102.db2.gz IAQXFRWPTSQYGJ-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035392 436188450 /nfs/dbraw/zinc/18/84/50/436188450.db2.gz AWNORZRLBWXLMB-UHFFFAOYSA-N 2 1 318.465 3.152 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035392 436188452 /nfs/dbraw/zinc/18/84/52/436188452.db2.gz AWNORZRLBWXLMB-UHFFFAOYSA-N 2 1 318.465 3.152 20 0 DGADMP Cc1c[nH]c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000657414607 436189220 /nfs/dbraw/zinc/18/92/20/436189220.db2.gz CSKANZJDQLMKGJ-AEFFLSMTSA-N 2 1 312.461 3.108 20 0 DGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429884 436197491 /nfs/dbraw/zinc/19/74/91/436197491.db2.gz MIMBWXGRKKRXJY-HOTGVXAUSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429884 436197495 /nfs/dbraw/zinc/19/74/95/436197495.db2.gz MIMBWXGRKKRXJY-HOTGVXAUSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)CCCO1 ZINC000657449262 436206694 /nfs/dbraw/zinc/20/66/94/436206694.db2.gz SECVEMFNCHYEAS-IPJUCJBFSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)CCCO1 ZINC000657449262 436206699 /nfs/dbraw/zinc/20/66/99/436206699.db2.gz SECVEMFNCHYEAS-IPJUCJBFSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653564005 436206730 /nfs/dbraw/zinc/20/67/30/436206730.db2.gz KZPYYNFAJWFJNL-OAHLLOKOSA-N 2 1 301.434 3.034 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653564005 436206734 /nfs/dbraw/zinc/20/67/34/436206734.db2.gz KZPYYNFAJWFJNL-OAHLLOKOSA-N 2 1 301.434 3.034 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2noc3ccccc32)C1 ZINC000653564005 436206738 /nfs/dbraw/zinc/20/67/38/436206738.db2.gz KZPYYNFAJWFJNL-OAHLLOKOSA-N 2 1 301.434 3.034 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000653564005 436206739 /nfs/dbraw/zinc/20/67/39/436206739.db2.gz KZPYYNFAJWFJNL-OAHLLOKOSA-N 2 1 301.434 3.034 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)CCCO1 ZINC000657449263 436207286 /nfs/dbraw/zinc/20/72/86/436207286.db2.gz SECVEMFNCHYEAS-IVMQYODDSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)CCCO1 ZINC000657449263 436207289 /nfs/dbraw/zinc/20/72/89/436207289.db2.gz SECVEMFNCHYEAS-IVMQYODDSA-N 2 1 308.510 3.436 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000653572908 436211917 /nfs/dbraw/zinc/21/19/17/436211917.db2.gz ICVYVYGTWNZZDY-OAHLLOKOSA-N 2 1 324.428 3.374 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000653572908 436211922 /nfs/dbraw/zinc/21/19/22/436211922.db2.gz ICVYVYGTWNZZDY-OAHLLOKOSA-N 2 1 324.428 3.374 20 0 DGADMP CC(C)O[C@@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)c1ccccc1 ZINC000653590678 436218385 /nfs/dbraw/zinc/21/83/85/436218385.db2.gz VQSHJHWKYVBGDL-MSOLQXFVSA-N 2 1 313.445 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]1(C)CO ZINC000662144962 436284952 /nfs/dbraw/zinc/28/49/52/436284952.db2.gz VALKIFLWUNZNPN-XLIONFOSSA-N 2 1 316.489 3.123 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657718483 436287704 /nfs/dbraw/zinc/28/77/04/436287704.db2.gz VLMYOYGGESSYSB-AHRSYUTCSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657718483 436287708 /nfs/dbraw/zinc/28/77/08/436287708.db2.gz VLMYOYGGESSYSB-AHRSYUTCSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657718485 436288102 /nfs/dbraw/zinc/28/81/02/436288102.db2.gz VLMYOYGGESSYSB-NSISKUIASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657718485 436288109 /nfs/dbraw/zinc/28/81/09/436288109.db2.gz VLMYOYGGESSYSB-NSISKUIASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657718486 436288656 /nfs/dbraw/zinc/28/86/56/436288656.db2.gz VLMYOYGGESSYSB-UXPWSPDFSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657718486 436288659 /nfs/dbraw/zinc/28/86/59/436288659.db2.gz VLMYOYGGESSYSB-UXPWSPDFSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662153719 436288787 /nfs/dbraw/zinc/28/87/87/436288787.db2.gz TUMCWGVWNKKCMX-MJGOQNOKSA-N 2 1 316.489 3.204 20 0 DGADMP C[C@H](c1cccc2ccccc21)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154537 436289189 /nfs/dbraw/zinc/28/91/89/436289189.db2.gz GKWQCUUCXRRRJT-VQIMIIECSA-N 2 1 324.468 3.432 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)NCc1cncn1Cc1ccccc1 ZINC000662177942 436292949 /nfs/dbraw/zinc/29/29/49/436292949.db2.gz NMNGDJQFCFHWDF-UHFFFAOYSA-N 2 1 314.477 3.141 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000657751194 436295506 /nfs/dbraw/zinc/29/55/06/436295506.db2.gz GXCMIXFAKCPCJX-QFBILLFUSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC1CCCCC1 ZINC000657751191 436296096 /nfs/dbraw/zinc/29/60/96/436296096.db2.gz GXCMIXFAKCPCJX-APWZRJJASA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000657595625 436256833 /nfs/dbraw/zinc/25/68/33/436256833.db2.gz RJYYVSRFAWVTPN-IBGZPJMESA-N 2 1 316.489 3.312 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657611014 436259040 /nfs/dbraw/zinc/25/90/40/436259040.db2.gz INCXSUKAEVAZNJ-FHWLQOOXSA-N 2 1 314.473 3.341 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657611014 436259043 /nfs/dbraw/zinc/25/90/43/436259043.db2.gz INCXSUKAEVAZNJ-FHWLQOOXSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000666756648 436276446 /nfs/dbraw/zinc/27/64/46/436276446.db2.gz MWLATYTZLBNZJM-LBPRGKRZSA-N 2 1 301.459 3.331 20 0 DGADMP Cn1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657773889 436300844 /nfs/dbraw/zinc/30/08/44/436300844.db2.gz VJKNDWDUQLIRGR-HXUWFJFHSA-N 2 1 323.484 3.417 20 0 DGADMP CC1(C)OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657785736 436304600 /nfs/dbraw/zinc/30/46/00/436304600.db2.gz KASQQYWYEKFIMH-QGZVFWFLSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666909263 436304630 /nfs/dbraw/zinc/30/46/30/436304630.db2.gz GIPYPXORUSOBGI-QGZVFWFLSA-N 2 1 302.393 3.232 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254649 436312557 /nfs/dbraw/zinc/31/25/57/436312557.db2.gz RQHNOFBWZRKKGO-IPMKNSEASA-N 2 1 314.473 3.166 20 0 DGADMP c1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000662255151 436312816 /nfs/dbraw/zinc/31/28/16/436312816.db2.gz AIELQBGTKSFILC-ROUUACIJSA-N 2 1 302.487 3.192 20 0 DGADMP CCCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1ccccc1 ZINC000662258112 436315253 /nfs/dbraw/zinc/31/52/53/436315253.db2.gz WXWFPZHTIROJQE-AEFFLSMTSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000657816703 436315554 /nfs/dbraw/zinc/31/55/54/436315554.db2.gz KTLMTBOPLNWXAA-OXJNMPFZSA-N 2 1 316.489 3.495 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1OC(C)C ZINC000666999418 436322005 /nfs/dbraw/zinc/32/20/05/436322005.db2.gz GTNGGXNHZGNGKG-INIZCTEOSA-N 2 1 318.461 3.247 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997010 436322179 /nfs/dbraw/zinc/32/21/79/436322179.db2.gz QZNDTSCSAJDDTR-INIZCTEOSA-N 2 1 311.429 3.008 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000662273336 436322421 /nfs/dbraw/zinc/32/24/21/436322421.db2.gz MDQDNEFKBXLOMZ-LSDHHAIUSA-N 2 1 315.486 3.160 20 0 DGADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290886 436322897 /nfs/dbraw/zinc/32/28/97/436322897.db2.gz MOZNPGRPWUWFOO-DZGCQCFKSA-N 2 1 320.481 3.140 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000662282729 436322949 /nfs/dbraw/zinc/32/29/49/436322949.db2.gz JTOJJAFNEGOLPD-HZSPNIEDSA-N 2 1 303.475 3.144 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000662311325 436327391 /nfs/dbraw/zinc/32/73/91/436327391.db2.gz RSDBFTJVYIXEJZ-SFHVURJKSA-N 2 1 320.452 3.367 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662310055 436328000 /nfs/dbraw/zinc/32/80/00/436328000.db2.gz GRJRROFRLMSGPJ-MAUKXSAKSA-N 2 1 320.452 3.367 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662317326 436328646 /nfs/dbraw/zinc/32/86/46/436328646.db2.gz OMKAUYBUAKIIGX-LJQANCHMSA-N 2 1 304.478 3.353 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662317326 436328651 /nfs/dbraw/zinc/32/86/51/436328651.db2.gz OMKAUYBUAKIIGX-LJQANCHMSA-N 2 1 304.478 3.353 20 0 DGADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313473 436328910 /nfs/dbraw/zinc/32/89/10/436328910.db2.gz RBQDSDGSMNQCJC-CRAIPNDOSA-N 2 1 317.477 3.027 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c2c(c1)C[NH2+]CC2 ZINC000662314883 436329033 /nfs/dbraw/zinc/32/90/33/436329033.db2.gz QBGDPCQMIVCVED-QUCCMNQESA-N 2 1 314.473 3.113 20 0 DGADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313710 436329567 /nfs/dbraw/zinc/32/95/67/436329567.db2.gz XSGKVPAXPKDLBB-RHSMWYFYSA-N 2 1 317.477 3.081 20 0 DGADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312818 436329728 /nfs/dbraw/zinc/32/97/28/436329728.db2.gz FQSLHYORQCPCHO-IAGOWNOFSA-N 2 1 320.477 3.304 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000657868084 436330309 /nfs/dbraw/zinc/33/03/09/436330309.db2.gz RKMHAMDKPREJOC-KRWDZBQOSA-N 2 1 322.443 3.228 20 0 DGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326483 436330619 /nfs/dbraw/zinc/33/06/19/436330619.db2.gz UKHMRWYRKCJWPU-OXQOHEQNSA-N 2 1 316.489 3.279 20 0 DGADMP FCCCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327641 436330687 /nfs/dbraw/zinc/33/06/87/436330687.db2.gz SEDXLOIYMRPORG-UHFFFAOYSA-N 2 1 322.472 3.196 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)CCO1 ZINC000662324467 436330848 /nfs/dbraw/zinc/33/08/48/436330848.db2.gz WCBOIODOHVOZTR-LKIHTYOGSA-N 2 1 322.880 3.396 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CCO1 ZINC000662324467 436330850 /nfs/dbraw/zinc/33/08/50/436330850.db2.gz WCBOIODOHVOZTR-LKIHTYOGSA-N 2 1 322.880 3.396 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC/C=C/c2ccccc2)CCO1 ZINC000662326708 436331345 /nfs/dbraw/zinc/33/13/45/436331345.db2.gz ZJQLCKPBPJTRJN-NJGYHNCTSA-N 2 1 302.462 3.133 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCCn2nccc21)[N@H+](C)Cc1ccccc1 ZINC000657898611 436335688 /nfs/dbraw/zinc/33/56/88/436335688.db2.gz FMTORNUYKOOYLB-SJLPKXTDSA-N 2 1 312.461 3.218 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCCn2nccc21)[N@@H+](C)Cc1ccccc1 ZINC000657898611 436335689 /nfs/dbraw/zinc/33/56/89/436335689.db2.gz FMTORNUYKOOYLB-SJLPKXTDSA-N 2 1 312.461 3.218 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C(F)F ZINC000657920026 436340996 /nfs/dbraw/zinc/34/09/96/436340996.db2.gz URGKQWKHDYHCHK-MJBXVCDLSA-N 2 1 306.441 3.145 20 0 DGADMP Cc1cc(C)c(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)n1 ZINC000654087744 436341398 /nfs/dbraw/zinc/34/13/98/436341398.db2.gz LTNVHZDAIIAPKO-HOTGVXAUSA-N 2 1 316.449 3.145 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000658058178 436360877 /nfs/dbraw/zinc/36/08/77/436360877.db2.gz LTXMKKCFCSSLIR-CADBVGFASA-N 2 1 314.473 3.339 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000658245930 436409940 /nfs/dbraw/zinc/40/99/40/436409940.db2.gz AYTCQXCPOKQADE-PBHICJAKSA-N 2 1 313.445 3.240 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091061 436371988 /nfs/dbraw/zinc/37/19/88/436371988.db2.gz KOHOOGAEYGWICN-HZPDHXFCSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091061 436371993 /nfs/dbraw/zinc/37/19/93/436371993.db2.gz KOHOOGAEYGWICN-HZPDHXFCSA-N 2 1 317.477 3.175 20 0 DGADMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658141573 436386779 /nfs/dbraw/zinc/38/67/79/436386779.db2.gz XAASNCPNFFIVKT-PMACEKPBSA-N 2 1 316.489 3.312 20 0 DGADMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658141574 436387097 /nfs/dbraw/zinc/38/70/97/436387097.db2.gz XAASNCPNFFIVKT-UXHICEINSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142888 436387143 /nfs/dbraw/zinc/38/71/43/436387143.db2.gz ZNMYAIWYVFDDOD-VAMGGRTRSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cscn1 ZINC000658152641 436387641 /nfs/dbraw/zinc/38/76/41/436387641.db2.gz UTLAZPWIFXVGOP-KBPBESRZSA-N 2 1 319.474 3.495 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccs1 ZINC000658146019 436387680 /nfs/dbraw/zinc/38/76/80/436387680.db2.gz TUJSPZNRCIHLQD-PBHICJAKSA-N 2 1 316.470 3.166 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658164544 436392492 /nfs/dbraw/zinc/39/24/92/436392492.db2.gz XGVHBXUYKWVSPD-URWLHXRESA-N 2 1 314.473 3.339 20 0 DGADMP COC[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663065442 436410643 /nfs/dbraw/zinc/41/06/43/436410643.db2.gz PRPDCQWOSCSMLE-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]2CCCO[C@H]21 ZINC000658228185 436405034 /nfs/dbraw/zinc/40/50/34/436405034.db2.gz HDPCKVHNWZULOR-BZZMCLGOSA-N 2 1 306.494 3.187 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]2CCCO[C@H]21 ZINC000658228185 436405036 /nfs/dbraw/zinc/40/50/36/436405036.db2.gz HDPCKVHNWZULOR-BZZMCLGOSA-N 2 1 306.494 3.187 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000658231982 436407147 /nfs/dbraw/zinc/40/71/47/436407147.db2.gz XMBTZAJUIHEHLT-RDJZCZTQSA-N 2 1 317.477 3.018 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000658231982 436407149 /nfs/dbraw/zinc/40/71/49/436407149.db2.gz XMBTZAJUIHEHLT-RDJZCZTQSA-N 2 1 317.477 3.018 20 0 DGADMP COCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320007 436430363 /nfs/dbraw/zinc/43/03/63/436430363.db2.gz LQHOXXXFYUAHIS-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663344700 436442998 /nfs/dbraw/zinc/44/29/98/436442998.db2.gz VRXRKBUSOWLKCE-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663344700 436443003 /nfs/dbraw/zinc/44/30/03/436443003.db2.gz VRXRKBUSOWLKCE-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346918 436443080 /nfs/dbraw/zinc/44/30/80/436443080.db2.gz XQZQHEMGKGWPKT-MSOLQXFVSA-N 2 1 314.473 3.264 20 0 DGADMP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347580 436443363 /nfs/dbraw/zinc/44/33/63/436443363.db2.gz PFURKQAQBMEIHX-MSEQUDFZSA-N 2 1 314.473 3.420 20 0 DGADMP c1cc2cnccc2c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346525 436443639 /nfs/dbraw/zinc/44/36/39/436443639.db2.gz SYAZXYDVRMVECK-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000663463743 436463881 /nfs/dbraw/zinc/46/38/81/436463881.db2.gz BGZNTSFGAIAPSY-GDBMZVCRSA-N 2 1 318.461 3.173 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000663463743 436463883 /nfs/dbraw/zinc/46/38/83/436463883.db2.gz BGZNTSFGAIAPSY-GDBMZVCRSA-N 2 1 318.461 3.173 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464610 436463902 /nfs/dbraw/zinc/46/39/02/436463902.db2.gz DXNABPKKPSKLEY-QRFRQXIXSA-N 2 1 316.489 3.474 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663466885 436465772 /nfs/dbraw/zinc/46/57/72/436465772.db2.gz AWXFUTTVODVITM-KZNAEPCWSA-N 2 1 306.494 3.046 20 0 DGADMP CC(C)[C@H](O)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000658288110 436418548 /nfs/dbraw/zinc/41/85/48/436418548.db2.gz NBAIRQUZKDKLAC-MOPGFXCFSA-N 2 1 304.478 3.207 20 0 DGADMP CC(C)[C@H](O)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000658287684 436418775 /nfs/dbraw/zinc/41/87/75/436418775.db2.gz ISDUWNDQVBZWNC-UXHICEINSA-N 2 1 316.489 3.209 20 0 DGADMP c1cc2c(cc[nH+]c2N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000663825610 436514383 /nfs/dbraw/zinc/51/43/83/436514383.db2.gz LYVWOZKWBPQUAV-CYBMUJFWSA-N 2 1 307.401 3.090 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC000663476978 436468725 /nfs/dbraw/zinc/46/87/25/436468725.db2.gz AJZDPRKLZUTBNR-AWEZNQCLSA-N 2 1 322.415 3.198 20 0 DGADMP Cc1cc(Br)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000663503905 436472258 /nfs/dbraw/zinc/47/22/58/436472258.db2.gz SSGJNZCVDDIADI-LLVKDONJSA-N 2 1 305.285 3.282 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000660005775 436578954 /nfs/dbraw/zinc/57/89/54/436578954.db2.gz NBAKYVYRJXPIFH-MJGOQNOKSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660005775 436578955 /nfs/dbraw/zinc/57/89/55/436578955.db2.gz NBAKYVYRJXPIFH-MJGOQNOKSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660005775 436578956 /nfs/dbraw/zinc/57/89/56/436578956.db2.gz NBAKYVYRJXPIFH-MJGOQNOKSA-N 2 1 304.478 3.141 20 0 DGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000659910189 436557053 /nfs/dbraw/zinc/55/70/53/436557053.db2.gz NYBIHGKZJBHPSE-MOPGFXCFSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@@H]1CSCC[NH+]1CC1(C[N@H+]2CCSC[C@H]2C)CCC1 ZINC000659943300 436564551 /nfs/dbraw/zinc/56/45/51/436564551.db2.gz ANWMFWFNCGCXLZ-HUUCEWRRSA-N 2 1 314.564 3.031 20 0 DGADMP C[C@@H]1CSCC[NH+]1CC1(C[N@@H+]2CCSC[C@H]2C)CCC1 ZINC000659943300 436564555 /nfs/dbraw/zinc/56/45/55/436564555.db2.gz ANWMFWFNCGCXLZ-HUUCEWRRSA-N 2 1 314.564 3.031 20 0 DGADMP c1ccc(COCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000659957471 436568281 /nfs/dbraw/zinc/56/82/81/436568281.db2.gz SQZILSRPKRMXKX-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(COCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000659957471 436568284 /nfs/dbraw/zinc/56/82/84/436568284.db2.gz SQZILSRPKRMXKX-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP Cc1cccc(C2([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCCC2)c1 ZINC000660064521 436584116 /nfs/dbraw/zinc/58/41/16/436584116.db2.gz PVOFUTVFXKICJB-SFHVURJKSA-N 2 1 304.478 3.055 20 0 DGADMP Cc1cccc(C2([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCCC2)c1 ZINC000660064521 436584117 /nfs/dbraw/zinc/58/41/17/436584117.db2.gz PVOFUTVFXKICJB-SFHVURJKSA-N 2 1 304.478 3.055 20 0 DGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000664363439 436590506 /nfs/dbraw/zinc/59/05/06/436590506.db2.gz IWWXUQQDGXGFDB-KRWDZBQOSA-N 2 1 320.440 3.316 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256967 436615152 /nfs/dbraw/zinc/61/51/52/436615152.db2.gz OZPRCMYCDWLVPP-RHSMWYFYSA-N 2 1 312.461 3.306 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000660304492 436620930 /nfs/dbraw/zinc/62/09/30/436620930.db2.gz FFLFGVGEQBLIAC-OXQOHEQNSA-N 2 1 309.457 3.269 20 0 DGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)OC)c1 ZINC000530212438 313340025 /nfs/dbraw/zinc/34/00/25/313340025.db2.gz SCNJFHPEUAKOSB-OTWHNJEPSA-N 2 1 312.413 3.117 20 0 DGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1Br ZINC000530460208 313372807 /nfs/dbraw/zinc/37/28/07/313372807.db2.gz VSKJDFFFTZKNQP-OAHLLOKOSA-N 2 1 322.250 3.466 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531726014 313485398 /nfs/dbraw/zinc/48/53/98/313485398.db2.gz ZZKZSCRRYCQKBE-AZUAARDMSA-N 3 1 321.553 3.351 20 0 DGADMP CCc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000531976951 313507290 /nfs/dbraw/zinc/50/72/90/313507290.db2.gz WPRMEFWUNRMCFZ-CQSZACIVSA-N 2 1 317.433 3.028 20 0 DGADMP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000536866057 313788941 /nfs/dbraw/zinc/78/89/41/313788941.db2.gz XSOJTHGTUXZQPK-INIZCTEOSA-N 2 1 304.453 3.468 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541914316 314048397 /nfs/dbraw/zinc/04/83/97/314048397.db2.gz QZEZFEFEMYITQW-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000541915144 314048517 /nfs/dbraw/zinc/04/85/17/314048517.db2.gz ZJXDQIXCMFIYPS-UXHICEINSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000542485106 314079273 /nfs/dbraw/zinc/07/92/73/314079273.db2.gz IYQMBKFLWORUDF-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCOCC1 ZINC000542826994 314101746 /nfs/dbraw/zinc/10/17/46/314101746.db2.gz QPRBITNDEAUUCH-SUMDDJOVSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cc2)c1 ZINC000545860743 314271195 /nfs/dbraw/zinc/27/11/95/314271195.db2.gz WSFVBTQGYKCCAJ-NRFANRHFSA-N 2 1 324.468 3.127 20 0 DGADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cc2)c1 ZINC000545860743 314271197 /nfs/dbraw/zinc/27/11/97/314271197.db2.gz WSFVBTQGYKCCAJ-NRFANRHFSA-N 2 1 324.468 3.127 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000563425699 315114064 /nfs/dbraw/zinc/11/40/64/315114064.db2.gz QETDFFULANIGGD-NZSAHSFTSA-N 2 1 323.440 3.226 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)C1 ZINC000563949483 315149180 /nfs/dbraw/zinc/14/91/80/315149180.db2.gz ZDJWTRJXXXFUHG-HOTGVXAUSA-N 2 1 314.477 3.204 20 0 DGADMP C/C(=C/c1ccccc1)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000564319539 315168753 /nfs/dbraw/zinc/16/87/53/315168753.db2.gz WXDRLJYKKGRKGG-VLGSPTGOSA-N 2 1 315.505 3.048 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C3CCCCC3)cc2)CCCO1 ZINC000564555025 315182577 /nfs/dbraw/zinc/18/25/77/315182577.db2.gz XEENNMCDWJRRTG-LJQANCHMSA-N 2 1 302.462 3.284 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CCCO1 ZINC000564555025 315182579 /nfs/dbraw/zinc/18/25/79/315182579.db2.gz XEENNMCDWJRRTG-LJQANCHMSA-N 2 1 302.462 3.284 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000564973815 315216103 /nfs/dbraw/zinc/21/61/03/315216103.db2.gz UDTWYOVFVQTSDX-CVEARBPZSA-N 2 1 313.470 3.160 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000564973815 315216105 /nfs/dbraw/zinc/21/61/05/315216105.db2.gz UDTWYOVFVQTSDX-CVEARBPZSA-N 2 1 313.470 3.160 20 0 DGADMP CCC[N@@H+]1CC[C@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000565081207 315227867 /nfs/dbraw/zinc/22/78/67/315227867.db2.gz SIVCPEWVZPQJAL-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP CCC[N@H+]1CC[C@H](CNCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000565081207 315227870 /nfs/dbraw/zinc/22/78/70/315227870.db2.gz SIVCPEWVZPQJAL-MRXNPFEDSA-N 2 1 314.477 3.279 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCc2c[nH+]cn2C)c2ccccn2)cc1 ZINC000565165876 315236785 /nfs/dbraw/zinc/23/67/85/315236785.db2.gz SKNHTWSGBOEVOL-FQEVSTJZSA-N 2 1 320.440 3.435 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000565500026 315266323 /nfs/dbraw/zinc/26/63/23/315266323.db2.gz MGRBRPQNIZRZDJ-DYESRHJHSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1Cc1ccccc1 ZINC000565500026 315266326 /nfs/dbraw/zinc/26/63/26/315266326.db2.gz MGRBRPQNIZRZDJ-DYESRHJHSA-N 2 1 324.468 3.322 20 0 DGADMP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C)C2)C(C)C)c(F)c1 ZINC000566084877 315311090 /nfs/dbraw/zinc/31/10/90/315311090.db2.gz UAWNVVRLFPLJGA-KBXCAEBGSA-N 2 1 308.441 3.463 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000566084877 315311093 /nfs/dbraw/zinc/31/10/93/315311093.db2.gz UAWNVVRLFPLJGA-KBXCAEBGSA-N 2 1 308.441 3.463 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566111139 315313187 /nfs/dbraw/zinc/31/31/87/315313187.db2.gz YTWVZWHSYYNLKT-HOJAQTOUSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566111139 315313191 /nfs/dbraw/zinc/31/31/91/315313191.db2.gz YTWVZWHSYYNLKT-HOJAQTOUSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566111142 315313281 /nfs/dbraw/zinc/31/32/81/315313281.db2.gz YTWVZWHSYYNLKT-SXLOBPIMSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566111142 315313283 /nfs/dbraw/zinc/31/32/83/315313283.db2.gz YTWVZWHSYYNLKT-SXLOBPIMSA-N 2 1 318.505 3.426 20 0 DGADMP COCC1(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000566221521 315323330 /nfs/dbraw/zinc/32/33/30/315323330.db2.gz SNAAEVGQDLBQBY-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000566221521 315323333 /nfs/dbraw/zinc/32/33/33/315323333.db2.gz SNAAEVGQDLBQBY-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417305 315342844 /nfs/dbraw/zinc/34/28/44/315342844.db2.gz XBFUJWRZCOUNKK-IAGOWNOFSA-N 2 1 310.869 3.083 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417305 315342845 /nfs/dbraw/zinc/34/28/45/315342845.db2.gz XBFUJWRZCOUNKK-IAGOWNOFSA-N 2 1 310.869 3.083 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000566941256 315384925 /nfs/dbraw/zinc/38/49/25/315384925.db2.gz OXALBCAXYHMIFL-CYBMUJFWSA-N 2 1 305.809 3.072 20 0 DGADMP CCc1cccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000567741106 315446840 /nfs/dbraw/zinc/44/68/40/315446840.db2.gz KUKUPJWBZJUIJU-UHFFFAOYSA-N 2 1 324.472 3.414 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c2ccccn21 ZINC000576046029 316088310 /nfs/dbraw/zinc/08/83/10/316088310.db2.gz ZYSNXGVYVMQPCL-RDJZCZTQSA-N 2 1 314.477 3.276 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2ccccn21 ZINC000576046029 316088312 /nfs/dbraw/zinc/08/83/12/316088312.db2.gz ZYSNXGVYVMQPCL-RDJZCZTQSA-N 2 1 314.477 3.276 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc2ccccc2c1)C1CC1 ZINC000577505478 316243270 /nfs/dbraw/zinc/24/32/70/316243270.db2.gz JNBOPXPWFZDYDN-HXUWFJFHSA-N 2 1 312.457 3.117 20 0 DGADMP CCN(C)C[C@@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505478 316243275 /nfs/dbraw/zinc/24/32/75/316243275.db2.gz JNBOPXPWFZDYDN-HXUWFJFHSA-N 2 1 312.457 3.117 20 0 DGADMP CCN(C)C[C@@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505478 316243278 /nfs/dbraw/zinc/24/32/78/316243278.db2.gz JNBOPXPWFZDYDN-HXUWFJFHSA-N 2 1 312.457 3.117 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)[C@H](C)C1 ZINC000577917574 316284019 /nfs/dbraw/zinc/28/40/19/316284019.db2.gz JMUMRPGHTVAIAB-VQIMIIECSA-N 2 1 316.489 3.437 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)o1 ZINC000577960552 316288666 /nfs/dbraw/zinc/28/86/66/316288666.db2.gz LJOHKNATQWUIDB-OAHLLOKOSA-N 2 1 322.412 3.373 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](c3nccn3C)C2)o1 ZINC000577960551 316288871 /nfs/dbraw/zinc/28/88/71/316288871.db2.gz LJOHKNATQWUIDB-HNNXBMFYSA-N 2 1 322.412 3.373 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682314 323393002 /nfs/dbraw/zinc/39/30/02/323393002.db2.gz YISRRHCCYDPXEL-AEFFLSMTSA-N 2 1 315.505 3.495 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000581041703 324066726 /nfs/dbraw/zinc/06/67/26/324066726.db2.gz YPRDBOGCKPJIOC-YLFCFFPRSA-N 2 1 312.498 3.064 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000581041703 324066729 /nfs/dbraw/zinc/06/67/29/324066729.db2.gz YPRDBOGCKPJIOC-YLFCFFPRSA-N 2 1 312.498 3.064 20 0 DGADMP CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn21 ZINC000581195243 324087494 /nfs/dbraw/zinc/08/74/94/324087494.db2.gz OQHQVIXWLXAYDW-MRXNPFEDSA-N 2 1 312.461 3.126 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn21 ZINC000581195243 324087500 /nfs/dbraw/zinc/08/75/00/324087500.db2.gz OQHQVIXWLXAYDW-MRXNPFEDSA-N 2 1 312.461 3.126 20 0 DGADMP COCCC[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041644 324181294 /nfs/dbraw/zinc/18/12/94/324181294.db2.gz QXTUKURGNXNKEW-YJBOKZPZSA-N 2 1 308.441 3.225 20 0 DGADMP COCCC[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041644 324181296 /nfs/dbraw/zinc/18/12/96/324181296.db2.gz QXTUKURGNXNKEW-YJBOKZPZSA-N 2 1 308.441 3.225 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000582092201 324187954 /nfs/dbraw/zinc/18/79/54/324187954.db2.gz FRIMFMZVNDCJFO-RDJZCZTQSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000582092201 324187956 /nfs/dbraw/zinc/18/79/56/324187956.db2.gz FRIMFMZVNDCJFO-RDJZCZTQSA-N 2 1 304.478 3.263 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000582778088 324273473 /nfs/dbraw/zinc/27/34/73/324273473.db2.gz GKOVURMSOFXEID-BLYBZDDLSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000582778088 324273475 /nfs/dbraw/zinc/27/34/75/324273475.db2.gz GKOVURMSOFXEID-BLYBZDDLSA-N 2 1 306.400 3.427 20 0 DGADMP C[N@H+](C[C@@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1)C1CC1 ZINC000583436544 324353237 /nfs/dbraw/zinc/35/32/37/324353237.db2.gz MXAOPALNUJVMOX-IBGZPJMESA-N 2 1 317.477 3.156 20 0 DGADMP C[N@@H+](C[C@@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1)C1CC1 ZINC000583436544 324353240 /nfs/dbraw/zinc/35/32/40/324353240.db2.gz MXAOPALNUJVMOX-IBGZPJMESA-N 2 1 317.477 3.156 20 0 DGADMP Cn1cncc1CCC[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000584358660 337102286 /nfs/dbraw/zinc/10/22/86/337102286.db2.gz DIVPBLMCJZUZFV-UHFFFAOYSA-N 2 1 307.825 3.017 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000584358660 337102287 /nfs/dbraw/zinc/10/22/87/337102287.db2.gz DIVPBLMCJZUZFV-UHFFFAOYSA-N 2 1 307.825 3.017 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000584358660 337102288 /nfs/dbraw/zinc/10/22/88/337102288.db2.gz DIVPBLMCJZUZFV-UHFFFAOYSA-N 2 1 307.825 3.017 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1Oc1cccnc1 ZINC000584477366 337347732 /nfs/dbraw/zinc/34/77/32/337347732.db2.gz ATPCCEQOQFOADG-WBVHZDCISA-N 2 1 311.429 3.494 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282195299 500683211 /nfs/dbraw/zinc/68/32/11/500683211.db2.gz NPNFUCYGTMTFNM-INIZCTEOSA-N 2 1 314.477 3.421 20 0 DGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442838567 533822459 /nfs/dbraw/zinc/82/24/59/533822459.db2.gz ACIONZXEVLNMOU-HOTGVXAUSA-N 2 1 311.473 3.489 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000441270070 533836454 /nfs/dbraw/zinc/83/64/54/533836454.db2.gz NOKPNLRKHGCMNM-ZSXDVEMLSA-N 2 1 308.510 3.386 20 0 DGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC(C)C ZINC000415037107 533904374 /nfs/dbraw/zinc/90/43/74/533904374.db2.gz GDTDPPKMKSWWDL-MRXNPFEDSA-N 2 1 306.450 3.090 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1[NH3+] ZINC000430937839 533949026 /nfs/dbraw/zinc/94/90/26/533949026.db2.gz FQYIHBCFOQETEV-RDJZCZTQSA-N 2 1 320.440 3.170 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCC1 ZINC000423035110 534000362 /nfs/dbraw/zinc/00/03/62/534000362.db2.gz IWLIIBCJAZXGIM-RDJZCZTQSA-N 2 1 302.462 3.237 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000442779091 534079937 /nfs/dbraw/zinc/07/99/37/534079937.db2.gz LKQHCLSGPSZRCI-HOTGVXAUSA-N 2 1 304.478 3.422 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000309702163 534088738 /nfs/dbraw/zinc/08/87/38/534088738.db2.gz GKRDABMRWAJHAS-IEBWSBKVSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309702163 534088747 /nfs/dbraw/zinc/08/87/47/534088747.db2.gz GKRDABMRWAJHAS-IEBWSBKVSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc2)n1 ZINC000430559182 534095841 /nfs/dbraw/zinc/09/58/41/534095841.db2.gz ZVNXWOPCQBOJOJ-AEFFLSMTSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423114030 534203055 /nfs/dbraw/zinc/20/30/55/534203055.db2.gz ZTSCIOCQUFJGTO-JSGCOSHPSA-N 2 1 313.392 3.083 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)o1 ZINC000443062643 534213133 /nfs/dbraw/zinc/21/31/33/534213133.db2.gz UOZJXORZRQUKDO-ZDUSSCGKSA-N 2 1 305.447 3.272 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)o1 ZINC000430949976 534213882 /nfs/dbraw/zinc/21/38/82/534213882.db2.gz FVIIRQFEAWERFV-GFCCVEGCSA-N 2 1 305.447 3.271 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000415137170 534239598 /nfs/dbraw/zinc/23/95/98/534239598.db2.gz FHBVPMLVJJGSGQ-YWPYICTPSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)O1 ZINC000309700448 534243414 /nfs/dbraw/zinc/24/34/14/534243414.db2.gz FVIYPBYOXPEEMU-HKUYMTLNSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000165866949 534341476 /nfs/dbraw/zinc/34/14/76/534341476.db2.gz ZHZXSJFUJAZXGN-MAUKXSAKSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000165866949 534341456 /nfs/dbraw/zinc/34/14/56/534341456.db2.gz ZHZXSJFUJAZXGN-MAUKXSAKSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000165866949 534341467 /nfs/dbraw/zinc/34/14/67/534341467.db2.gz ZHZXSJFUJAZXGN-MAUKXSAKSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000165866949 534341470 /nfs/dbraw/zinc/34/14/70/534341470.db2.gz ZHZXSJFUJAZXGN-MAUKXSAKSA-N 2 1 319.493 3.420 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000318693021 534406568 /nfs/dbraw/zinc/40/65/68/534406568.db2.gz PHSIBWZLMNMGEE-KBPBESRZSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000318693021 534406573 /nfs/dbraw/zinc/40/65/73/534406573.db2.gz PHSIBWZLMNMGEE-KBPBESRZSA-N 2 1 314.351 3.302 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000428868562 534420338 /nfs/dbraw/zinc/42/03/38/534420338.db2.gz XANJCVBSOAVPPV-GHMZBOCLSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000428868562 534420344 /nfs/dbraw/zinc/42/03/44/534420344.db2.gz XANJCVBSOAVPPV-GHMZBOCLSA-N 2 1 304.381 3.483 20 0 DGADMP Fc1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000415079353 534526197 /nfs/dbraw/zinc/52/61/97/534526197.db2.gz JYVLJILJIQYGBI-INIZCTEOSA-N 2 1 315.392 3.245 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000154707882 521019535 /nfs/dbraw/zinc/01/95/35/521019535.db2.gz AGHIIQVOBALLPO-QGZVFWFLSA-N 2 1 324.509 3.162 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000154707882 521019542 /nfs/dbraw/zinc/01/95/42/521019542.db2.gz AGHIIQVOBALLPO-QGZVFWFLSA-N 2 1 324.509 3.162 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000294919287 534547870 /nfs/dbraw/zinc/54/78/70/534547870.db2.gz FMIGOEOGUHVRSR-AYHJJNSGSA-N 2 1 310.445 3.100 20 0 DGADMP CC(C)(C)C1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000459466863 534552813 /nfs/dbraw/zinc/55/28/13/534552813.db2.gz PEZMXYBHSITMAP-ACBHZAAOSA-N 2 1 316.489 3.168 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C1CCCC1 ZINC000415063029 534675194 /nfs/dbraw/zinc/67/51/94/534675194.db2.gz GPTCLHBGIINYIG-CQSZACIVSA-N 2 1 304.331 3.452 20 0 DGADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295913360 534710042 /nfs/dbraw/zinc/71/00/42/534710042.db2.gz ZQJDUOHGGOYHJN-FXAWDEMLSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294993011 534711186 /nfs/dbraw/zinc/71/11/86/534711186.db2.gz HSOJUGRKIFZOFA-MRXNPFEDSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294993011 534711194 /nfs/dbraw/zinc/71/11/94/534711194.db2.gz HSOJUGRKIFZOFA-MRXNPFEDSA-N 2 1 315.486 3.453 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000181267348 524915607 /nfs/dbraw/zinc/91/56/07/524915607.db2.gz OJUCISAXQKVEPO-LMMKCTJWSA-N 2 1 315.505 3.495 20 0 DGADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@H]1CC[NH2+]C1 ZINC000420383374 527480240 /nfs/dbraw/zinc/48/02/40/527480240.db2.gz ZLFDTEUZQUXSAJ-HUUCEWRRSA-N 2 1 319.518 3.201 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2C1 ZINC000295597209 528326728 /nfs/dbraw/zinc/32/67/28/528326728.db2.gz COXVEKBSAXAPER-YOEHRIQHSA-N 2 1 315.461 3.258 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2C1 ZINC000295597209 528326730 /nfs/dbraw/zinc/32/67/30/528326730.db2.gz COXVEKBSAXAPER-YOEHRIQHSA-N 2 1 315.461 3.258 20 0 DGADMP CC[N@@H+](CCCOCCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627799 528470998 /nfs/dbraw/zinc/47/09/98/528470998.db2.gz OPWFPGNPDPXZAT-IBGZPJMESA-N 2 1 304.478 3.100 20 0 DGADMP CC[N@@H+](CCOC)CC1(c2ccccc2)CC[NH+](CC)CC1 ZINC000442887279 528563350 /nfs/dbraw/zinc/56/33/50/528563350.db2.gz XLZNWPAUGWTCAT-UHFFFAOYSA-N 2 1 304.478 3.008 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000415137761 528611977 /nfs/dbraw/zinc/61/19/77/528611977.db2.gz YKABMNMAVAAPEH-RDJZCZTQSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000415137761 528611981 /nfs/dbraw/zinc/61/19/81/528611981.db2.gz YKABMNMAVAAPEH-RDJZCZTQSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000415130987 528664239 /nfs/dbraw/zinc/66/42/39/528664239.db2.gz RPWPUOFISCSMIC-RDJZCZTQSA-N 2 1 320.477 3.291 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000435386392 528670982 /nfs/dbraw/zinc/67/09/82/528670982.db2.gz WUPWILMOUCVHQG-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000435386392 528670989 /nfs/dbraw/zinc/67/09/89/528670989.db2.gz WUPWILMOUCVHQG-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)o1 ZINC000428253442 528720264 /nfs/dbraw/zinc/72/02/64/528720264.db2.gz QPWDTWXGTYVSGM-UHFFFAOYSA-N 2 1 316.449 3.124 20 0 DGADMP CC(C)[NH+](CCCNc1[nH+]c2ccc(F)cc2n1C)C(C)C ZINC000431409384 528879992 /nfs/dbraw/zinc/87/99/92/528879992.db2.gz GDUYHUGLUNARCM-UHFFFAOYSA-N 2 1 306.429 3.055 20 0 DGADMP CC1(C)CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000293091711 529000523 /nfs/dbraw/zinc/00/05/23/529000523.db2.gz XDCFISMDRJQATB-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000426365966 529050951 /nfs/dbraw/zinc/05/09/51/529050951.db2.gz NZMNHDSIAPAJDI-WBVHZDCISA-N 2 1 320.477 3.043 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472755308 535214719 /nfs/dbraw/zinc/21/47/19/535214719.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 3 1 309.542 3.305 20 0 DGADMP CCCC[NH+](C)CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472755308 535214726 /nfs/dbraw/zinc/21/47/26/535214726.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 3 1 309.542 3.305 20 0 DGADMP CCCC[NH+](C)CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472755308 535214730 /nfs/dbraw/zinc/21/47/30/535214730.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 3 1 309.542 3.305 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000472755308 535214733 /nfs/dbraw/zinc/21/47/33/535214733.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 2 1 309.542 3.305 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000472755308 535214740 /nfs/dbraw/zinc/21/47/40/535214740.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 2 1 309.542 3.305 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456282589 535476286 /nfs/dbraw/zinc/47/62/86/535476286.db2.gz SCNJDMYIXYYNNW-QZTJIDSGSA-N 2 1 315.461 3.048 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449067617 535610826 /nfs/dbraw/zinc/61/08/26/535610826.db2.gz MZSCZLXXAAAKFN-UHFFFAOYSA-N 2 1 301.409 3.352 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000469321143 535768501 /nfs/dbraw/zinc/76/85/01/535768501.db2.gz XBOUTADHAPWNIO-MHORFTMASA-N 2 1 309.542 3.063 20 0 DGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000469321143 535768506 /nfs/dbraw/zinc/76/85/06/535768506.db2.gz XBOUTADHAPWNIO-MHORFTMASA-N 2 1 309.542 3.063 20 0 DGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000469321143 535768508 /nfs/dbraw/zinc/76/85/08/535768508.db2.gz XBOUTADHAPWNIO-MHORFTMASA-N 2 1 309.542 3.063 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449078554 536894053 /nfs/dbraw/zinc/89/40/53/536894053.db2.gz VMDVTMGCXGYDJH-OAHLLOKOSA-N 2 1 310.441 3.422 20 0 DGADMP COc1cc2ccccc2cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449078554 536894055 /nfs/dbraw/zinc/89/40/55/536894055.db2.gz VMDVTMGCXGYDJH-OAHLLOKOSA-N 2 1 310.441 3.422 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090909512 545831663 /nfs/dbraw/zinc/83/16/63/545831663.db2.gz RRIQOWUJNAJKOD-CGTJXYLNSA-N 2 1 302.462 3.090 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc4c[nH]nc43)C2)[nH+]1 ZINC000092813160 545850740 /nfs/dbraw/zinc/85/07/40/545850740.db2.gz WPOPSRZDQPYQOU-OAHLLOKOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc4c[nH]nc43)C2)[nH+]1 ZINC000092813160 545850744 /nfs/dbraw/zinc/85/07/44/545850744.db2.gz WPOPSRZDQPYQOU-OAHLLOKOSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1nc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000126536093 545922851 /nfs/dbraw/zinc/92/28/51/545922851.db2.gz LIFFTNLNADMOMJ-ZDUSSCGKSA-N 2 1 319.474 3.243 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cc(C)cc(C)c1 ZINC000127286855 545928441 /nfs/dbraw/zinc/92/84/41/545928441.db2.gz MUYSQMCTRAKZAJ-UHFFFAOYSA-N 2 1 301.434 3.209 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000127286855 545928446 /nfs/dbraw/zinc/92/84/46/545928446.db2.gz MUYSQMCTRAKZAJ-UHFFFAOYSA-N 2 1 301.434 3.209 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000132385128 545962711 /nfs/dbraw/zinc/96/27/11/545962711.db2.gz PSMOFEZHVSLSQR-HKUYNNGSSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000151950153 545998395 /nfs/dbraw/zinc/99/83/95/545998395.db2.gz ATEHDSXKLLYZII-UHFFFAOYSA-N 2 1 317.521 3.002 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156230539 546032639 /nfs/dbraw/zinc/03/26/39/546032639.db2.gz BMLRFWRNCWDNOF-ROUUACIJSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000156230539 546032646 /nfs/dbraw/zinc/03/26/46/546032646.db2.gz BMLRFWRNCWDNOF-ROUUACIJSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000158603181 546047592 /nfs/dbraw/zinc/04/75/92/546047592.db2.gz SFGHVMRDYYRXRT-KSZLIROESA-N 3 1 309.542 3.064 20 0 DGADMP c1csc(-c2nc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)co2)c1 ZINC000166323874 546094659 /nfs/dbraw/zinc/09/46/59/546094659.db2.gz CUZATGFSKZGHNL-GXTWGEPZSA-N 2 1 303.431 3.120 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(F)c1 ZINC000166807705 546096518 /nfs/dbraw/zinc/09/65/18/546096518.db2.gz VVKZGKGMQWLRHQ-BRWVUGGUSA-N 2 1 306.425 3.200 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186634478 546196482 /nfs/dbraw/zinc/19/64/82/546196482.db2.gz OPDAMAYEALUDHB-HSALFYBXSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000236828112 546282133 /nfs/dbraw/zinc/28/21/33/546282133.db2.gz JDXYXCVNNOAKNN-UHFFFAOYSA-N 2 1 314.433 3.121 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251537091 546330264 /nfs/dbraw/zinc/33/02/64/546330264.db2.gz AOYRUVBTTRKGKQ-GXTWGEPZSA-N 2 1 302.340 3.144 20 0 DGADMP CC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251864725 546330826 /nfs/dbraw/zinc/33/08/26/546330826.db2.gz TXLPLHMYFAPLDB-SMDDNHRTSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251864725 546330830 /nfs/dbraw/zinc/33/08/30/546330830.db2.gz TXLPLHMYFAPLDB-SMDDNHRTSA-N 2 1 317.260 3.431 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000252894007 546332449 /nfs/dbraw/zinc/33/24/49/546332449.db2.gz SMNLRMBVNCVNQH-BXUZGUMPSA-N 2 1 302.340 3.015 20 0 DGADMP C[C@@H]([NH2+]CC1(N2CCCCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000319915369 546466344 /nfs/dbraw/zinc/46/63/44/546466344.db2.gz ZCEKLQALLCAVGI-GOSISDBHSA-N 2 1 321.553 3.495 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066885 546532136 /nfs/dbraw/zinc/53/21/36/546532136.db2.gz ISFZCEOMEPUGOE-MSOLQXFVSA-N 2 1 315.461 3.142 20 0 DGADMP CCC(CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339068582 546532788 /nfs/dbraw/zinc/53/27/88/546532788.db2.gz RKINOLYTRJWBGI-FHWLQOOXSA-N 2 1 307.526 3.103 20 0 DGADMP CN(C)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000339070272 546533605 /nfs/dbraw/zinc/53/36/05/546533605.db2.gz KQZINSNIPYBMQU-IRXDYDNUSA-N 2 1 324.472 3.017 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239928 546698690 /nfs/dbraw/zinc/69/86/90/546698690.db2.gz UGRNTFBLUSBXSB-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000380939513 546737002 /nfs/dbraw/zinc/73/70/02/546737002.db2.gz LUUQWZNHTGLFSN-LJQANCHMSA-N 2 1 310.441 3.394 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000414171185 546780805 /nfs/dbraw/zinc/78/08/05/546780805.db2.gz CSTNSCZRAMSBPE-WMLDXEAASA-N 2 1 318.461 3.013 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000414171183 546780961 /nfs/dbraw/zinc/78/09/61/546780961.db2.gz CSTNSCZRAMSBPE-RHSMWYFYSA-N 2 1 318.461 3.013 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414187171 546781166 /nfs/dbraw/zinc/78/11/66/546781166.db2.gz QFTJAEPVBXLXLJ-VLOYRQLPSA-N 2 1 302.462 3.369 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414187171 546781171 /nfs/dbraw/zinc/78/11/71/546781171.db2.gz QFTJAEPVBXLXLJ-VLOYRQLPSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304754 546785046 /nfs/dbraw/zinc/78/50/46/546785046.db2.gz CZKIHVXLAPUXSJ-HCXYKTFWSA-N 2 1 304.478 3.207 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304754 546785053 /nfs/dbraw/zinc/78/50/53/546785053.db2.gz CZKIHVXLAPUXSJ-HCXYKTFWSA-N 2 1 304.478 3.207 20 0 DGADMP COCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000446773438 546840571 /nfs/dbraw/zinc/84/05/71/546840571.db2.gz AAOVESBWUBTCFW-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000446773438 546840575 /nfs/dbraw/zinc/84/05/75/546840575.db2.gz AAOVESBWUBTCFW-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446773438 546840579 /nfs/dbraw/zinc/84/05/79/546840579.db2.gz AAOVESBWUBTCFW-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000446773437 546840824 /nfs/dbraw/zinc/84/08/24/546840824.db2.gz AAOVESBWUBTCFW-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000446773437 546840828 /nfs/dbraw/zinc/84/08/28/546840828.db2.gz AAOVESBWUBTCFW-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP COCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446773437 546840834 /nfs/dbraw/zinc/84/08/34/546840834.db2.gz AAOVESBWUBTCFW-QUCCMNQESA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)C[C@H]1c1ccccc1 ZINC000453304071 546859081 /nfs/dbraw/zinc/85/90/81/546859081.db2.gz FQBDNGUCGOFVCV-MSOLQXFVSA-N 2 1 320.452 3.178 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)C[C@H]1c1ccccc1 ZINC000453304071 546859083 /nfs/dbraw/zinc/85/90/83/546859083.db2.gz FQBDNGUCGOFVCV-MSOLQXFVSA-N 2 1 320.452 3.178 20 0 DGADMP Cc1[nH+]cc(CN(C)Cc2ccc(Br)s2)n1C ZINC000667482407 547196318 /nfs/dbraw/zinc/19/63/18/547196318.db2.gz CGLSUYJCVFQRKF-UHFFFAOYSA-N 2 1 314.252 3.185 20 0 DGADMP c1c2ccncc2sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000667663176 547264581 /nfs/dbraw/zinc/26/45/81/547264581.db2.gz FIHKBZPQGNHYCR-AWEZNQCLSA-N 2 1 301.459 3.214 20 0 DGADMP c1c2ccncc2sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000667663176 547264588 /nfs/dbraw/zinc/26/45/88/547264588.db2.gz FIHKBZPQGNHYCR-AWEZNQCLSA-N 2 1 301.459 3.214 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000667663094 547264838 /nfs/dbraw/zinc/26/48/38/547264838.db2.gz CQTMQORBURBNMN-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000667663094 547264845 /nfs/dbraw/zinc/26/48/45/547264845.db2.gz CQTMQORBURBNMN-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000667666826 547267494 /nfs/dbraw/zinc/26/74/94/547267494.db2.gz YYKHVHRKMVYETM-CZUORRHYSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000667666826 547267499 /nfs/dbraw/zinc/26/74/99/547267499.db2.gz YYKHVHRKMVYETM-CZUORRHYSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000667666826 547267502 /nfs/dbraw/zinc/26/75/02/547267502.db2.gz YYKHVHRKMVYETM-CZUORRHYSA-N 2 1 303.475 3.458 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667673255 547270535 /nfs/dbraw/zinc/27/05/35/547270535.db2.gz WFGNKESPPGHGPO-AWEZNQCLSA-N 2 1 303.475 3.460 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667673255 547270539 /nfs/dbraw/zinc/27/05/39/547270539.db2.gz WFGNKESPPGHGPO-AWEZNQCLSA-N 2 1 303.475 3.460 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667792045 547303020 /nfs/dbraw/zinc/30/30/20/547303020.db2.gz VXBKJBZFZUTVSU-UXHICEINSA-N 2 1 314.473 3.117 20 0 DGADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cnc3n2CCC3)c1 ZINC000667969546 547350617 /nfs/dbraw/zinc/35/06/17/547350617.db2.gz MYLOSXOZGDIYJD-RDTXWAMCSA-N 2 1 311.429 3.421 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000668489004 547466943 /nfs/dbraw/zinc/46/69/43/547466943.db2.gz IYCOCFBLTKNEPA-UTKZUKDTSA-N 2 1 324.468 3.147 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000668490340 547467639 /nfs/dbraw/zinc/46/76/39/547467639.db2.gz VBFKTRJCHJBYMY-LPHOPBHVSA-N 2 1 304.478 3.025 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000668677652 547507429 /nfs/dbraw/zinc/50/74/29/547507429.db2.gz UPWKRYBPNWMNMY-HKUYNNGSSA-N 2 1 313.489 3.060 20 0 DGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668738200 547526127 /nfs/dbraw/zinc/52/61/27/547526127.db2.gz CCGPLHFFZHAJTE-QFBILLFUSA-N 2 1 308.510 3.124 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(C)c1O ZINC000668818786 547549283 /nfs/dbraw/zinc/54/92/83/547549283.db2.gz LJLFKJFCJRNKGF-QGZVFWFLSA-N 2 1 302.462 3.221 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)(C)C ZINC000670266761 547741113 /nfs/dbraw/zinc/74/11/13/547741113.db2.gz XSRHXMLFPWQSEN-QGZVFWFLSA-N 2 1 317.521 3.206 20 0 DGADMP Clc1ccc(-c2ncc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000671306697 547786300 /nfs/dbraw/zinc/78/63/00/547786300.db2.gz LSFKITCLBQPIKT-STQMWFEESA-N 2 1 319.861 3.115 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671751475 547826421 /nfs/dbraw/zinc/82/64/21/547826421.db2.gz GVIXDVPVPLBLFV-GFCCVEGCSA-N 2 1 317.433 3.447 20 0 DGADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760712 547829544 /nfs/dbraw/zinc/82/95/44/547829544.db2.gz PEBMWQLPTUDISE-ZDUSSCGKSA-N 2 1 317.433 3.306 20 0 DGADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000672615243 547894223 /nfs/dbraw/zinc/89/42/23/547894223.db2.gz REGXLWPZBFAQBH-JJTUDDRGSA-N 2 1 306.400 3.140 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000673714667 547985763 /nfs/dbraw/zinc/98/57/63/547985763.db2.gz FWZGYWWUWBVDGD-HKUYNNGSSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000673714667 547985765 /nfs/dbraw/zinc/98/57/65/547985765.db2.gz FWZGYWWUWBVDGD-HKUYNNGSSA-N 2 1 304.478 3.344 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000673714667 547985769 /nfs/dbraw/zinc/98/57/69/547985769.db2.gz FWZGYWWUWBVDGD-HKUYNNGSSA-N 2 1 304.478 3.344 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674302272 548059116 /nfs/dbraw/zinc/05/91/16/548059116.db2.gz ZPABVRDSUAIVBU-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881963 548283239 /nfs/dbraw/zinc/28/32/39/548283239.db2.gz OEXGWRRTTVYGOO-FXAWDEMLSA-N 2 1 316.489 3.159 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000675881494 548283391 /nfs/dbraw/zinc/28/33/91/548283391.db2.gz MIAKMFOQQFYVJM-AZUAARDMSA-N 2 1 314.473 3.215 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880225 548283502 /nfs/dbraw/zinc/28/35/02/548283502.db2.gz CDINWIBXPKURSQ-KBAYOESNSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1cc(C)cc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000675897719 548286856 /nfs/dbraw/zinc/28/68/56/548286856.db2.gz VCRNBPQGZCYMIG-MJGOQNOKSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000675897719 548286859 /nfs/dbraw/zinc/28/68/59/548286859.db2.gz VCRNBPQGZCYMIG-MJGOQNOKSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000675897719 548286864 /nfs/dbraw/zinc/28/68/64/548286864.db2.gz VCRNBPQGZCYMIG-MJGOQNOKSA-N 2 1 302.462 3.098 20 0 DGADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000675935697 548294834 /nfs/dbraw/zinc/29/48/34/548294834.db2.gz NGRFVYBFVFDNPI-HKUYNNGSSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675934679 548295146 /nfs/dbraw/zinc/29/51/46/548295146.db2.gz RIVHCRDRGXVKFK-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675934679 548295150 /nfs/dbraw/zinc/29/51/50/548295150.db2.gz RIVHCRDRGXVKFK-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678078467 548608309 /nfs/dbraw/zinc/60/83/09/548608309.db2.gz ZUWOZOBQASUYQV-MSOLQXFVSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678078467 548608313 /nfs/dbraw/zinc/60/83/13/548608313.db2.gz ZUWOZOBQASUYQV-MSOLQXFVSA-N 2 1 301.478 3.201 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678078467 548608318 /nfs/dbraw/zinc/60/83/18/548608318.db2.gz ZUWOZOBQASUYQV-MSOLQXFVSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678277448 548666150 /nfs/dbraw/zinc/66/61/50/548666150.db2.gz VOVJDIDTEMXJOK-IRXDYDNUSA-N 2 1 302.462 3.392 20 0 DGADMP Cc1c(F)cccc1-c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678342707 548682872 /nfs/dbraw/zinc/68/28/72/548682872.db2.gz DLRJVNVHDRZAHW-KBPBESRZSA-N 2 1 300.377 3.045 20 0 DGADMP C[N@@H+](CCC1CC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678340572 548682920 /nfs/dbraw/zinc/68/29/20/548682920.db2.gz WFRPOUIOMNOXFB-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343070 548684343 /nfs/dbraw/zinc/68/43/43/548684343.db2.gz MPHCLCGXMBXIGI-RTBURBONSA-N 2 1 308.425 3.013 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(Cl)c1 ZINC000678593685 548735013 /nfs/dbraw/zinc/73/50/13/548735013.db2.gz KRCGOEFRMVJBTH-KBMXLJTQSA-N 2 1 308.853 3.324 20 0 DGADMP C[C@H]1C[C@@H](Nc2ccccc2C[NH+]2CCSCC2)CC[N@H+]1C ZINC000679142918 548837442 /nfs/dbraw/zinc/83/74/42/548837442.db2.gz NOSYBHMPRCYBJQ-RDJZCZTQSA-N 2 1 319.518 3.130 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCCCO)CC1 ZINC000679333653 548879699 /nfs/dbraw/zinc/87/96/99/548879699.db2.gz AELMOFATRHJLLX-QGZVFWFLSA-N 2 1 304.478 3.100 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679368484 548887233 /nfs/dbraw/zinc/88/72/33/548887233.db2.gz JZUFZGMCBGQJNA-RLFYNMQTSA-N 2 1 312.461 3.279 20 0 DGADMP COC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000680469741 549056398 /nfs/dbraw/zinc/05/63/98/549056398.db2.gz JOOWMXVCDZSKNX-AWUBQHKLSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683364802 549475166 /nfs/dbraw/zinc/47/51/66/549475166.db2.gz ZUXISBBALMOBQK-MRXNPFEDSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000683705116 549522835 /nfs/dbraw/zinc/52/28/35/549522835.db2.gz MCEFCBXBYYNDHS-QFBILLFUSA-N 2 1 302.462 3.023 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000684379301 549623283 /nfs/dbraw/zinc/62/32/83/549623283.db2.gz ZPIZIRCTIPHMLH-NZSAHSFTSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)C(C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000685457639 549762884 /nfs/dbraw/zinc/76/28/84/549762884.db2.gz IAQHJZIXLUPCKB-GOSISDBHSA-N 2 1 309.542 3.015 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000685462719 549764881 /nfs/dbraw/zinc/76/48/81/549764881.db2.gz SLIWQQMGVMRCKQ-UHFFFAOYSA-N 2 1 320.477 3.495 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000685571001 549775558 /nfs/dbraw/zinc/77/55/58/549775558.db2.gz UVFHCLOXLYXEBM-RBUKOAKNSA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000685571001 549775562 /nfs/dbraw/zinc/77/55/62/549775562.db2.gz UVFHCLOXLYXEBM-RBUKOAKNSA-N 2 1 304.478 3.209 20 0 DGADMP CCCn1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C)n1 ZINC001658788526 1196301688 /nfs/dbraw/zinc/30/16/88/1196301688.db2.gz QWTWIKDLGVQXGF-UHFFFAOYSA-N 2 1 306.498 3.299 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001659156106 1196353625 /nfs/dbraw/zinc/35/36/25/1196353625.db2.gz VNDIEENLDUBPGQ-HOTGVXAUSA-N 2 1 312.498 3.018 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312016245 574528517 /nfs/dbraw/zinc/52/85/17/574528517.db2.gz KCHROBLBSCQAKQ-AEGPPILISA-N 2 1 323.278 3.442 20 0 DGADMP CC1(C)CCc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000731676916 574556342 /nfs/dbraw/zinc/55/63/42/574556342.db2.gz FGMCOVAROLSPNU-INIZCTEOSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@H]1C ZINC000738340785 574866383 /nfs/dbraw/zinc/86/63/83/574866383.db2.gz OYIJUINNAPARSO-HZPDHXFCSA-N 2 1 316.580 3.421 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515519 575662344 /nfs/dbraw/zinc/66/23/44/575662344.db2.gz SYOJYAVFNHVJEJ-SCRDCRAPSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749515519 575662347 /nfs/dbraw/zinc/66/23/47/575662347.db2.gz SYOJYAVFNHVJEJ-SCRDCRAPSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515519 575662341 /nfs/dbraw/zinc/66/23/41/575662341.db2.gz SYOJYAVFNHVJEJ-SCRDCRAPSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515517 575662552 /nfs/dbraw/zinc/66/25/52/575662552.db2.gz SYOJYAVFNHVJEJ-OUCADQQQSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515517 575662556 /nfs/dbraw/zinc/66/25/56/575662556.db2.gz SYOJYAVFNHVJEJ-OUCADQQQSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749515517 575662559 /nfs/dbraw/zinc/66/25/59/575662559.db2.gz SYOJYAVFNHVJEJ-OUCADQQQSA-N 2 1 303.277 3.129 20 0 DGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000750042098 575699980 /nfs/dbraw/zinc/69/99/80/575699980.db2.gz HMEOSVIQUOYVHG-QGZVFWFLSA-N 2 1 322.387 3.396 20 0 DGADMP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000748437784 576078652 /nfs/dbraw/zinc/07/86/52/576078652.db2.gz ZDFZTJGBRPUJBH-GOSISDBHSA-N 2 1 324.509 3.164 20 0 DGADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000748437784 576078655 /nfs/dbraw/zinc/07/86/55/576078655.db2.gz ZDFZTJGBRPUJBH-GOSISDBHSA-N 2 1 324.509 3.164 20 0 DGADMP COc1ccc(-c2cc(C[N@@H+](C)C3CCC([NH3+])CC3)on2)cc1 ZINC000852741518 620644522 /nfs/dbraw/zinc/64/45/22/620644522.db2.gz USWHOHVOKWPVJV-UHFFFAOYSA-N 2 1 315.417 3.052 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239954 620681094 /nfs/dbraw/zinc/68/10/94/620681094.db2.gz KNQYYTLMTKCDLC-DOTOQJQBSA-N 2 1 314.473 3.394 20 0 DGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241404 620681337 /nfs/dbraw/zinc/68/13/37/620681337.db2.gz UNLHNFYRZPOJKR-ZBFHGGJFSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241404 620681340 /nfs/dbraw/zinc/68/13/40/620681340.db2.gz UNLHNFYRZPOJKR-ZBFHGGJFSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000806135583 617716778 /nfs/dbraw/zinc/71/67/78/617716778.db2.gz UKYAUHUQWMWYJC-HNNXBMFYSA-N 2 1 305.853 3.329 20 0 DGADMP CC[NH+](CC)Cc1ccc(CNc2nccn3c[nH+]cc23)cc1 ZINC000891600689 617848522 /nfs/dbraw/zinc/84/85/22/617848522.db2.gz VVZYYCIOISHAHS-UHFFFAOYSA-N 2 1 309.417 3.183 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2C2CC2)CC1 ZINC000891611589 617852105 /nfs/dbraw/zinc/85/21/05/617852105.db2.gz QPGMLXXOVGXJQV-UHFFFAOYSA-N 2 1 318.509 3.241 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000891744961 617888335 /nfs/dbraw/zinc/88/83/35/617888335.db2.gz BXYWIIMBOOQGGX-LSDHHAIUSA-N 2 1 317.315 3.212 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC3CC[NH+](C(C)(C)C)CC3)c12 ZINC000891908344 617924839 /nfs/dbraw/zinc/92/48/39/617924839.db2.gz QJCFABMOKIRYQL-UHFFFAOYSA-N 2 1 301.438 3.195 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n1)CCCC2 ZINC000892087067 617958723 /nfs/dbraw/zinc/95/87/23/617958723.db2.gz ZDGOQWCUNXJNEX-GOSISDBHSA-N 2 1 313.489 3.411 20 0 DGADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n1)CCCC2 ZINC000892087067 617958726 /nfs/dbraw/zinc/95/87/26/617958726.db2.gz ZDGOQWCUNXJNEX-GOSISDBHSA-N 2 1 313.489 3.411 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000892098367 617960831 /nfs/dbraw/zinc/96/08/31/617960831.db2.gz AENGMBGWDQBEKJ-VQIMIIECSA-N 2 1 302.462 3.099 20 0 DGADMP Cc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106501 617963993 /nfs/dbraw/zinc/96/39/93/617963993.db2.gz WNDZBKYUADEYIN-WBVHZDCISA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106501 617963995 /nfs/dbraw/zinc/96/39/95/617963995.db2.gz WNDZBKYUADEYIN-WBVHZDCISA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106501 617963998 /nfs/dbraw/zinc/96/39/98/617963998.db2.gz WNDZBKYUADEYIN-WBVHZDCISA-N 2 1 301.478 3.183 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000925472433 620766655 /nfs/dbraw/zinc/76/66/55/620766655.db2.gz HGDWVHGBDDTINC-RYUDHWBXSA-N 2 1 305.447 3.399 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000892224411 617988974 /nfs/dbraw/zinc/98/89/74/617988974.db2.gz DHPPRODYNQDTPI-ROUUACIJSA-N 2 1 320.477 3.290 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926459112 618025659 /nfs/dbraw/zinc/02/56/59/618025659.db2.gz RLGAQPZXZQPUOJ-LMMKCTJWSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926459112 618025662 /nfs/dbraw/zinc/02/56/62/618025662.db2.gz RLGAQPZXZQPUOJ-LMMKCTJWSA-N 2 1 320.525 3.150 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2CC[NH+](C)CC2)CC1)CC1CC1 ZINC000892402508 618058143 /nfs/dbraw/zinc/05/81/43/618058143.db2.gz BEOFJQISNIHMIT-UHFFFAOYSA-N 3 1 321.553 3.162 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000892449396 618069252 /nfs/dbraw/zinc/06/92/52/618069252.db2.gz RJWVQBJEXHRLPU-OAHLLOKOSA-N 2 1 306.498 3.435 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000892449396 618069258 /nfs/dbraw/zinc/06/92/58/618069258.db2.gz RJWVQBJEXHRLPU-OAHLLOKOSA-N 2 1 306.498 3.435 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(OC)o1 ZINC000892465753 618072731 /nfs/dbraw/zinc/07/27/31/618072731.db2.gz GRQNNWSCKZAPBJ-UHFFFAOYSA-N 2 1 302.418 3.420 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892520638 618097277 /nfs/dbraw/zinc/09/72/77/618097277.db2.gz BFGURZRUSZPOMG-VIFPVBQESA-N 2 1 318.368 3.093 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892585583 618112614 /nfs/dbraw/zinc/11/26/14/618112614.db2.gz VYLKUBXDXJGLOE-CYBMUJFWSA-N 2 1 308.495 3.160 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892585583 618112617 /nfs/dbraw/zinc/11/26/17/618112617.db2.gz VYLKUBXDXJGLOE-CYBMUJFWSA-N 2 1 308.495 3.160 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000892583779 618112701 /nfs/dbraw/zinc/11/27/01/618112701.db2.gz DYUWMTPKAVONCL-AWEZNQCLSA-N 2 1 310.511 3.263 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000892583779 618112703 /nfs/dbraw/zinc/11/27/03/618112703.db2.gz DYUWMTPKAVONCL-AWEZNQCLSA-N 2 1 310.511 3.263 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2ccnc2s1 ZINC000892585220 618113239 /nfs/dbraw/zinc/11/32/39/618113239.db2.gz RNIUFQSHAVNCOO-CQSZACIVSA-N 2 1 306.479 3.140 20 0 DGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cnc1F ZINC000892590133 618114155 /nfs/dbraw/zinc/11/41/55/618114155.db2.gz QMZJTNWRIKLZGL-GASCZTMLSA-N 2 1 307.457 3.377 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000892608198 618117787 /nfs/dbraw/zinc/11/77/87/618117787.db2.gz NQVRTNIGCWUJCV-IGDQZBHYSA-N 2 1 306.400 3.427 20 0 DGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nc1 ZINC000892697737 618141633 /nfs/dbraw/zinc/14/16/33/618141633.db2.gz WFGFKEKPAXOHLX-UHFFFAOYSA-N 2 1 313.445 3.220 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1C[C@H]3CC[C@@H](C1)S3)C2 ZINC000924602032 618150542 /nfs/dbraw/zinc/15/05/42/618150542.db2.gz IYKNUUBMFVTGET-YQQQUEKLSA-N 2 1 316.514 3.451 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1C[C@H]3CC[C@@H](C1)S3)C2 ZINC000924602032 618150545 /nfs/dbraw/zinc/15/05/45/618150545.db2.gz IYKNUUBMFVTGET-YQQQUEKLSA-N 2 1 316.514 3.451 20 0 DGADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cnc1F ZINC000894456889 618338293 /nfs/dbraw/zinc/33/82/93/618338293.db2.gz UVPRJALIDPXKTR-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn3ccnc3s2)cc1 ZINC000894456905 618338861 /nfs/dbraw/zinc/33/88/61/618338861.db2.gz VHCGNVOPBJUATI-UHFFFAOYSA-N 2 1 314.458 3.089 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)co3)C2)CC1 ZINC000894477742 618348244 /nfs/dbraw/zinc/34/82/44/618348244.db2.gz WKQOAFRZJALJLW-HNNXBMFYSA-N 2 1 305.466 3.136 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nccc4c3CCCC4)C2)CC1 ZINC000894477532 618348532 /nfs/dbraw/zinc/34/85/32/618348532.db2.gz RZUKNZMXUDCKRX-GOSISDBHSA-N 2 1 313.489 3.124 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(F)c(C)c2)c1 ZINC000892937205 618358259 /nfs/dbraw/zinc/35/82/59/618358259.db2.gz AMXDMMIEDPJHKY-UHFFFAOYSA-N 2 1 301.409 3.271 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000892943990 618362029 /nfs/dbraw/zinc/36/20/29/618362029.db2.gz MJCFZNXZUWCPCS-GOSISDBHSA-N 2 1 303.494 3.490 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000892943990 618362034 /nfs/dbraw/zinc/36/20/34/618362034.db2.gz MJCFZNXZUWCPCS-GOSISDBHSA-N 2 1 303.494 3.490 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000892943991 618362483 /nfs/dbraw/zinc/36/24/83/618362483.db2.gz MJCFZNXZUWCPCS-SFHVURJKSA-N 2 1 303.494 3.490 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000892943991 618362490 /nfs/dbraw/zinc/36/24/90/618362490.db2.gz MJCFZNXZUWCPCS-SFHVURJKSA-N 2 1 303.494 3.490 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)[C@H](C)C1 ZINC000925078034 618421858 /nfs/dbraw/zinc/42/18/58/618421858.db2.gz IRSKNYNKWIICFG-SJLPKXTDSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894767127 618452809 /nfs/dbraw/zinc/45/28/09/618452809.db2.gz SWIVAFSOZCCMOQ-ZDUSSCGKSA-N 2 1 304.459 3.427 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780962 618456053 /nfs/dbraw/zinc/45/60/53/618456053.db2.gz BKAMFQYRDDILBK-DOMZBBRYSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780962 618456055 /nfs/dbraw/zinc/45/60/55/618456055.db2.gz BKAMFQYRDDILBK-DOMZBBRYSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780962 618456058 /nfs/dbraw/zinc/45/60/58/618456058.db2.gz BKAMFQYRDDILBK-DOMZBBRYSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780962 618456060 /nfs/dbraw/zinc/45/60/60/618456060.db2.gz BKAMFQYRDDILBK-DOMZBBRYSA-N 2 1 304.459 3.379 20 0 DGADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c2c(n1)CCCC2 ZINC000894860336 618481856 /nfs/dbraw/zinc/48/18/56/618481856.db2.gz ASUDLWQJAPFFMM-MRXNPFEDSA-N 2 1 301.478 3.090 20 0 DGADMP C[C@H](N)[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553565 618490313 /nfs/dbraw/zinc/49/03/13/618490313.db2.gz QUDQSWTUNUWGLL-PKOBYXMFSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000925616383 618510241 /nfs/dbraw/zinc/51/02/41/618510241.db2.gz RXKCHELDSKXYJB-AOIWGVFYSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000925639328 618517348 /nfs/dbraw/zinc/51/73/48/618517348.db2.gz BLFRZRIXFWHWAX-HPBDAGMYSA-N 2 1 303.494 3.173 20 0 DGADMP CCCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2ncsc2C1 ZINC000895125804 618544076 /nfs/dbraw/zinc/54/40/76/618544076.db2.gz NUJOJNKMYAYJRV-MRXNPFEDSA-N 2 1 321.534 3.444 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnc1F ZINC000893489590 618570924 /nfs/dbraw/zinc/57/09/24/618570924.db2.gz ZTPBREFLAPWUKW-GOEBONIOSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnc1F ZINC000893489590 618570926 /nfs/dbraw/zinc/57/09/26/618570926.db2.gz ZTPBREFLAPWUKW-GOEBONIOSA-N 2 1 305.441 3.272 20 0 DGADMP C[C@H](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291879 618588759 /nfs/dbraw/zinc/58/87/59/618588759.db2.gz ISKOAPHTGDUUEA-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291879 618588762 /nfs/dbraw/zinc/58/87/62/618588762.db2.gz ISKOAPHTGDUUEA-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)[NH+](C)C ZINC000895295012 618589249 /nfs/dbraw/zinc/58/92/49/618589249.db2.gz YFRKYLXRPGXWJV-NSHDSACASA-N 2 1 322.346 3.197 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000925763809 618604156 /nfs/dbraw/zinc/60/41/56/618604156.db2.gz FBTXQOVYPNMQLH-OWCLPIDISA-N 2 1 307.869 3.444 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000893589143 618612093 /nfs/dbraw/zinc/61/20/93/618612093.db2.gz XXXYGVMDPBSUCU-UHFFFAOYSA-N 2 1 306.498 3.292 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1sccc1Br ZINC000925791151 618620461 /nfs/dbraw/zinc/62/04/61/618620461.db2.gz ODUVTTKFJDGVAR-BBBLOLIVSA-N 2 1 303.269 3.017 20 0 DGADMP CC(C)[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925797590 618621730 /nfs/dbraw/zinc/62/17/30/618621730.db2.gz PBJOMMUCVKEONX-QZTJIDSGSA-N 2 1 302.462 3.132 20 0 DGADMP COc1ccc2[nH+]ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000893833276 618664336 /nfs/dbraw/zinc/66/43/36/618664336.db2.gz OJMRASUZPBYHLB-YIONKMFJSA-N 2 1 311.429 3.305 20 0 DGADMP COCc1c(C)cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000894021805 618694021 /nfs/dbraw/zinc/69/40/21/618694021.db2.gz WLUWBFQMBQIYJV-KRWDZBQOSA-N 2 1 304.478 3.142 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049632 618699472 /nfs/dbraw/zinc/69/94/72/618699472.db2.gz IFVLPXLGNPCNDI-DZGCQCFKSA-N 2 1 324.440 3.005 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049634 618699709 /nfs/dbraw/zinc/69/97/09/618699709.db2.gz IFVLPXLGNPCNDI-UKRRQHHQSA-N 2 1 324.440 3.005 20 0 DGADMP COCCC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894139892 618718963 /nfs/dbraw/zinc/71/89/63/618718963.db2.gz CBOFNSUVGGJBDQ-UMQXSMKFSA-N 2 1 316.489 3.239 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]Cc2c[nH]cn2)cc1 ZINC000894169418 618723363 /nfs/dbraw/zinc/72/33/63/618723363.db2.gz BGLIKDWFPMFBFF-UHFFFAOYSA-N 2 1 320.440 3.428 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000894231712 618734808 /nfs/dbraw/zinc/73/48/08/618734808.db2.gz RUUZHIIETRJADW-UHFFFAOYSA-N 2 1 318.509 3.389 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc3c2OCO3)C1 ZINC000924960728 618750368 /nfs/dbraw/zinc/75/03/68/618750368.db2.gz RGHWRWIVEPSYCE-CABCVRRESA-N 2 1 304.434 3.186 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc3c2OCO3)C1 ZINC000924960728 618750370 /nfs/dbraw/zinc/75/03/70/618750370.db2.gz RGHWRWIVEPSYCE-CABCVRRESA-N 2 1 304.434 3.186 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961602 618750486 /nfs/dbraw/zinc/75/04/86/618750486.db2.gz WRXPOXYHDVGRGI-CVEARBPZSA-N 2 1 304.482 3.379 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924961602 618750490 /nfs/dbraw/zinc/75/04/90/618750490.db2.gz WRXPOXYHDVGRGI-CVEARBPZSA-N 2 1 304.482 3.379 20 0 DGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1coc2ccccc12 ZINC000924966518 618752553 /nfs/dbraw/zinc/75/25/53/618752553.db2.gz OSIFJONPOYTLSC-INIZCTEOSA-N 2 1 315.461 3.111 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462245 618788030 /nfs/dbraw/zinc/78/80/30/618788030.db2.gz VRCPQSPFXFSRDO-WFASDCNBSA-N 2 1 302.443 3.133 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462245 618788033 /nfs/dbraw/zinc/78/80/33/618788033.db2.gz VRCPQSPFXFSRDO-WFASDCNBSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462245 618788035 /nfs/dbraw/zinc/78/80/35/618788035.db2.gz VRCPQSPFXFSRDO-WFASDCNBSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4c(cccc4O)s3)CC[C@@H]21 ZINC000895462245 618788037 /nfs/dbraw/zinc/78/80/37/618788037.db2.gz VRCPQSPFXFSRDO-WFASDCNBSA-N 2 1 302.443 3.133 20 0 DGADMP Cc1cc(CO)cc(NC2CCC(C)([NH+]3CCCC3)CC2)[nH+]1 ZINC000895527672 618794962 /nfs/dbraw/zinc/79/49/62/618794962.db2.gz RGVXQZYQNUOINJ-UHFFFAOYSA-N 2 1 303.450 3.091 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c2c(n1)CCCC2 ZINC000895587535 618802954 /nfs/dbraw/zinc/80/29/54/618802954.db2.gz XUQSJNHZLGJLGL-MRXNPFEDSA-N 2 1 301.478 3.090 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895622626 618808366 /nfs/dbraw/zinc/80/83/66/618808366.db2.gz HOOJTSCYFCVEME-WOGUSJMUSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895622626 618808367 /nfs/dbraw/zinc/80/83/67/618808367.db2.gz HOOJTSCYFCVEME-WOGUSJMUSA-N 2 1 314.473 3.369 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1OC ZINC000895685126 618818831 /nfs/dbraw/zinc/81/88/31/618818831.db2.gz KAQHANOTYISNCJ-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP C[NH+](C)CC[C@@H](Nc1[nH+]ccc2c(N)cccc21)c1cccnc1 ZINC000895890019 618846251 /nfs/dbraw/zinc/84/62/51/618846251.db2.gz AXNYIVJJWBDWSE-GOSISDBHSA-N 2 1 321.428 3.317 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(CC2CC[NH+](C)CC2)CC1 ZINC000896003167 618861795 /nfs/dbraw/zinc/86/17/95/618861795.db2.gz URHNXIODGPUKQQ-UHFFFAOYSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)(C)CO ZINC000925134626 618925543 /nfs/dbraw/zinc/92/55/43/618925543.db2.gz HJDUJNYOJSZPNJ-DZKIICNBSA-N 2 1 310.507 3.128 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)CO ZINC000925134626 618925546 /nfs/dbraw/zinc/92/55/46/618925546.db2.gz HJDUJNYOJSZPNJ-DZKIICNBSA-N 2 1 310.507 3.128 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cccnc1 ZINC000896720662 618948260 /nfs/dbraw/zinc/94/82/60/618948260.db2.gz INCZXCMJTFDHJL-PXNSSMCTSA-N 2 1 309.457 3.394 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925136642 618969922 /nfs/dbraw/zinc/96/99/22/618969922.db2.gz QAYXCKOWTFBHIM-WBTNSWJXSA-N 2 1 308.491 3.146 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925136642 618969924 /nfs/dbraw/zinc/96/99/24/618969924.db2.gz QAYXCKOWTFBHIM-WBTNSWJXSA-N 2 1 308.491 3.146 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925136638 618969981 /nfs/dbraw/zinc/96/99/81/618969981.db2.gz QAYXCKOWTFBHIM-PNBKFKSVSA-N 2 1 308.491 3.146 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925136638 618969982 /nfs/dbraw/zinc/96/99/82/618969982.db2.gz QAYXCKOWTFBHIM-PNBKFKSVSA-N 2 1 308.491 3.146 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C)CCC(F)(F)CC2)s1 ZINC000796341840 618981665 /nfs/dbraw/zinc/98/16/65/618981665.db2.gz DXTKQYVZPKOJAA-UHFFFAOYSA-N 2 1 303.422 3.262 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccnnc1 ZINC000925221411 619080420 /nfs/dbraw/zinc/08/04/20/619080420.db2.gz NGMCPYYWBXUMGX-JTDSTZFVSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccnnc1 ZINC000925221411 619080421 /nfs/dbraw/zinc/08/04/21/619080421.db2.gz NGMCPYYWBXUMGX-JTDSTZFVSA-N 2 1 310.445 3.038 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3[C@H](C)CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000925225654 619082707 /nfs/dbraw/zinc/08/27/07/619082707.db2.gz TUSZHPZGJRVWJY-CHWSQXEVSA-N 2 1 302.466 3.086 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000897969186 619200805 /nfs/dbraw/zinc/20/08/05/619200805.db2.gz FYHQMHXGAXNVMN-KRWDZBQOSA-N 2 1 309.457 3.267 20 0 DGADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000898195689 619225601 /nfs/dbraw/zinc/22/56/01/619225601.db2.gz YSWWKZCPRGWXEO-MISYRCLQSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000898195689 619225602 /nfs/dbraw/zinc/22/56/02/619225602.db2.gz YSWWKZCPRGWXEO-MISYRCLQSA-N 2 1 314.473 3.105 20 0 DGADMP Cc1ncccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898253602 619228800 /nfs/dbraw/zinc/22/88/00/619228800.db2.gz QESMTRHYIJHSFR-GHTZIAJQSA-N 2 1 323.484 3.433 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924628932 619248859 /nfs/dbraw/zinc/24/88/59/619248859.db2.gz NGLIUSBSUQSFKG-MRXNPFEDSA-N 2 1 318.509 3.454 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC000898517676 619283372 /nfs/dbraw/zinc/28/33/72/619283372.db2.gz BKVZPKQFXTXPQT-LGKHCZOZSA-N 2 1 314.473 3.054 20 0 DGADMP CCOC[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522070 619284178 /nfs/dbraw/zinc/28/41/78/619284178.db2.gz KBNKDJRSKMLLQJ-LMCOJAPRSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)on1 ZINC000902319589 619614678 /nfs/dbraw/zinc/61/46/78/619614678.db2.gz UNWWCPFAPQNGJT-MRXNPFEDSA-N 2 1 309.360 3.221 20 0 DGADMP Cc1cc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)ncn1 ZINC000902370642 619624162 /nfs/dbraw/zinc/62/41/62/619624162.db2.gz MIHAGEIKFQOVSG-QGZVFWFLSA-N 2 1 320.387 3.023 20 0 DGADMP [NH3+]C1(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000902413767 619637558 /nfs/dbraw/zinc/63/75/58/619637558.db2.gz ONULRBDVASHLAF-QGZVFWFLSA-N 2 1 302.368 3.330 20 0 DGADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3([NH3+])CC3)s2)cc1 ZINC000902415116 619637923 /nfs/dbraw/zinc/63/79/23/619637923.db2.gz AYOXRQCTMWXPIE-NSHDSACASA-N 2 1 317.458 3.269 20 0 DGADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3([NH3+])CC3)s2)cc1 ZINC000902415115 619637935 /nfs/dbraw/zinc/63/79/35/619637935.db2.gz AYOXRQCTMWXPIE-LLVKDONJSA-N 2 1 317.458 3.269 20 0 DGADMP C[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902481799 619645552 /nfs/dbraw/zinc/64/55/52/619645552.db2.gz HDIQTNJSVKPNFK-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC(C)C ZINC000902740677 619665696 /nfs/dbraw/zinc/66/56/96/619665696.db2.gz ZQOZLCGRAZSLIB-PXRSPZQOSA-N 2 1 308.510 3.146 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000902742872 619668910 /nfs/dbraw/zinc/66/89/10/619668910.db2.gz ZYNZOJXOPJCYOG-AUSJPIAWSA-N 2 1 314.473 3.393 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCC(C)CC1 ZINC000902744684 619669429 /nfs/dbraw/zinc/66/94/29/619669429.db2.gz FHNRQOBFUIBWLD-GFLQDLJJSA-N 2 1 320.521 3.146 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902761635 619671854 /nfs/dbraw/zinc/67/18/54/619671854.db2.gz VSICMFVZJZMQFI-HQPSDWMKSA-N 2 1 320.521 3.146 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902778834 619674314 /nfs/dbraw/zinc/67/43/14/619674314.db2.gz CLPFARITHACCER-NZSAHSFTSA-N 2 1 308.510 3.293 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)C1 ZINC000902792753 619677295 /nfs/dbraw/zinc/67/72/95/619677295.db2.gz CZAAJDKDPWZGJW-YQVWRLOYSA-N 2 1 316.489 3.336 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000902797085 619678047 /nfs/dbraw/zinc/67/80/47/619678047.db2.gz TUZKRWXKWSNPKR-QMTMVMCOSA-N 2 1 302.462 3.250 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3C[C@H]4CCC[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000902833114 619681920 /nfs/dbraw/zinc/68/19/20/619681920.db2.gz WFMSLCLRQCFSAK-HZPDHXFCSA-N 2 1 314.477 3.231 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1ccccc1F)C1CCOCC1 ZINC000903056625 619707453 /nfs/dbraw/zinc/70/74/53/619707453.db2.gz WWFIOAKQEVNPTD-GOSISDBHSA-N 2 1 322.468 3.471 20 0 DGADMP CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903075270 619711787 /nfs/dbraw/zinc/71/17/87/619711787.db2.gz ZVMBINFPJVVIMK-ZNXRZULTSA-N 2 1 300.446 3.333 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903091104 619714547 /nfs/dbraw/zinc/71/45/47/619714547.db2.gz NGZIOMDGOQQSFH-ZNBHLAFESA-N 2 1 319.537 3.388 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903091104 619714548 /nfs/dbraw/zinc/71/45/48/619714548.db2.gz NGZIOMDGOQQSFH-ZNBHLAFESA-N 2 1 319.537 3.388 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091104 619714550 /nfs/dbraw/zinc/71/45/50/619714550.db2.gz NGZIOMDGOQQSFH-ZNBHLAFESA-N 2 1 319.537 3.388 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000903071336 619714861 /nfs/dbraw/zinc/71/48/61/619714861.db2.gz BDECEORTWWRDSP-ZOCIIQOWSA-N 2 1 316.445 3.027 20 0 DGADMP C[C@@H]1CCC[C@@](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)([NH+](C)C)C1 ZINC000903072169 619715575 /nfs/dbraw/zinc/71/55/75/619715575.db2.gz CQXXHGPPRFDYDS-NSEAXLEKSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(CC2CCC2)c1 ZINC000903107418 619717977 /nfs/dbraw/zinc/71/79/77/619717977.db2.gz UCYHKSGSYJAIAW-QGTPRVQTSA-N 2 1 304.482 3.207 20 0 DGADMP C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113700 619719872 /nfs/dbraw/zinc/71/98/72/619719872.db2.gz QHOFFZTWMMLQCI-SIOWJKJVSA-N 2 1 314.473 3.246 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903123495 619721703 /nfs/dbraw/zinc/72/17/03/619721703.db2.gz AKIWEDDEGIBHJH-KOQQBVACSA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903123495 619721704 /nfs/dbraw/zinc/72/17/04/619721704.db2.gz AKIWEDDEGIBHJH-KOQQBVACSA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123495 619721706 /nfs/dbraw/zinc/72/17/06/619721706.db2.gz AKIWEDDEGIBHJH-KOQQBVACSA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903123495 619721707 /nfs/dbraw/zinc/72/17/07/619721707.db2.gz AKIWEDDEGIBHJH-KOQQBVACSA-N 3 1 319.537 3.102 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903123495 619721709 /nfs/dbraw/zinc/72/17/09/619721709.db2.gz AKIWEDDEGIBHJH-KOQQBVACSA-N 3 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903123495 619721710 /nfs/dbraw/zinc/72/17/10/619721710.db2.gz AKIWEDDEGIBHJH-KOQQBVACSA-N 3 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123495 619721711 /nfs/dbraw/zinc/72/17/11/619721711.db2.gz AKIWEDDEGIBHJH-KOQQBVACSA-N 3 1 319.537 3.102 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)C2 ZINC000903132361 619723239 /nfs/dbraw/zinc/72/32/39/619723239.db2.gz YQAJUGSQTLNACA-CTYVRADFSA-N 2 1 324.559 3.113 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903153384 619725845 /nfs/dbraw/zinc/72/58/45/619725845.db2.gz RZWFFVQEWPWCAU-ZXFUBFMLSA-N 2 1 304.409 3.082 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903153384 619725848 /nfs/dbraw/zinc/72/58/48/619725848.db2.gz RZWFFVQEWPWCAU-ZXFUBFMLSA-N 2 1 304.409 3.082 20 0 DGADMP C[C@](O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903153190 619726029 /nfs/dbraw/zinc/72/60/29/619726029.db2.gz LWMAJNVPZUJULY-QZNYNHHHSA-N 2 1 314.473 3.032 20 0 DGADMP CCc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903164571 619728380 /nfs/dbraw/zinc/72/83/80/619728380.db2.gz ITLKXJFETHSXHK-ZNBHLAFESA-N 2 1 314.473 3.030 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCOC2(CCC2)C1 ZINC000903179875 619731296 /nfs/dbraw/zinc/73/12/96/619731296.db2.gz VBXPBDHZHUMOHZ-UNPWZGGWSA-N 2 1 304.478 3.083 20 0 DGADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1(Cl)Cl ZINC000903179676 619731503 /nfs/dbraw/zinc/73/15/03/619731503.db2.gz SLURAZQQIQBWTM-ZHDCTAKOSA-N 2 1 303.277 3.318 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000903185353 619732407 /nfs/dbraw/zinc/73/24/07/619732407.db2.gz IONAHDNYHWZICJ-RDJZCZTQSA-N 2 1 318.461 3.132 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000903200951 619735258 /nfs/dbraw/zinc/73/52/58/619735258.db2.gz CVKQQRKZWQNDDS-FUHWJXTLSA-N 2 1 324.472 3.073 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000903200950 619735421 /nfs/dbraw/zinc/73/54/21/619735421.db2.gz CVKQQRKZWQNDDS-AEFFLSMTSA-N 2 1 324.472 3.073 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000903200953 619735492 /nfs/dbraw/zinc/73/54/92/619735492.db2.gz CVKQQRKZWQNDDS-WMZOPIPTSA-N 2 1 324.472 3.073 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903205435 619738089 /nfs/dbraw/zinc/73/80/89/619738089.db2.gz IDXKLFYXXPDERL-CRMUJIHISA-N 2 1 303.277 3.318 20 0 DGADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC2(CCC2)C1 ZINC000903221959 619741327 /nfs/dbraw/zinc/74/13/27/619741327.db2.gz UZMFUOHPJQIRHT-ZCTYVAAUSA-N 2 1 318.505 3.473 20 0 DGADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC2(CCC2)C1 ZINC000903221958 619741500 /nfs/dbraw/zinc/74/15/00/619741500.db2.gz UZMFUOHPJQIRHT-DQXYTYHJSA-N 2 1 318.505 3.473 20 0 DGADMP C[C@H]1COC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000903393506 619767017 /nfs/dbraw/zinc/76/70/17/619767017.db2.gz OBRBUDPWNWCWRC-RXQRSOPUSA-N 2 1 302.462 3.054 20 0 DGADMP CCOC1CCC([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903377350 619767917 /nfs/dbraw/zinc/76/79/17/619767917.db2.gz LEKRFBCIJAUPKS-DAWZGUTISA-N 2 1 305.466 3.012 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C[NH3+] ZINC000903460107 619776901 /nfs/dbraw/zinc/77/69/01/619776901.db2.gz XGDJECYWBQRQIT-PNDGYWDASA-N 2 1 308.416 3.341 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442661 619777417 /nfs/dbraw/zinc/77/74/17/619777417.db2.gz WPEOTKQRUMGLFT-VKJFTORMSA-N 2 1 312.461 3.049 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442661 619777419 /nfs/dbraw/zinc/77/74/19/619777419.db2.gz WPEOTKQRUMGLFT-VKJFTORMSA-N 2 1 312.461 3.049 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000903444053 619777760 /nfs/dbraw/zinc/77/77/60/619777760.db2.gz OKJIMSVOBORYBP-RNQOJCNYSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000903444053 619777761 /nfs/dbraw/zinc/77/77/61/619777761.db2.gz OKJIMSVOBORYBP-RNQOJCNYSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000903444053 619777764 /nfs/dbraw/zinc/77/77/64/619777764.db2.gz OKJIMSVOBORYBP-RNQOJCNYSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444053 619777765 /nfs/dbraw/zinc/77/77/65/619777765.db2.gz OKJIMSVOBORYBP-RNQOJCNYSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444053 619777767 /nfs/dbraw/zinc/77/77/67/619777767.db2.gz OKJIMSVOBORYBP-RNQOJCNYSA-N 3 1 315.505 3.099 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@H]21 ZINC000903447568 619778233 /nfs/dbraw/zinc/77/82/33/619778233.db2.gz YHCVYYGFLNJKEQ-MZBWOGCUSA-N 2 1 306.400 3.095 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)[C@@H]1c1ccccc1 ZINC000903446100 619778369 /nfs/dbraw/zinc/77/83/69/619778369.db2.gz SXCPCZAMNOZSPW-XDNAFOTISA-N 2 1 320.427 3.499 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000903452210 619779395 /nfs/dbraw/zinc/77/93/95/619779395.db2.gz IZROBYGXXUGOKF-ULQDDVLXSA-N 2 1 306.400 3.111 20 0 DGADMP CCOCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCc2ccccc21 ZINC000903474910 619780019 /nfs/dbraw/zinc/78/00/19/619780019.db2.gz UHAMORDJSSJDLE-AYBZRNKSSA-N 2 1 302.462 3.140 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000903482484 619781073 /nfs/dbraw/zinc/78/10/73/619781073.db2.gz JDFIFKBBRODTAU-NJAFHUGGSA-N 2 1 324.472 3.112 20 0 DGADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903482755 619781152 /nfs/dbraw/zinc/78/11/52/619781152.db2.gz RTZHOJBTXXYOOB-VYDXJSESSA-N 2 1 302.466 3.157 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1CC[NH3+] ZINC000903496821 619782191 /nfs/dbraw/zinc/78/21/91/619782191.db2.gz FWIQKNHTBMQROZ-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722491 619803631 /nfs/dbraw/zinc/80/36/31/619803631.db2.gz BKOZIXUPOSSSCJ-DZGCQCFKSA-N 2 1 324.415 3.116 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000903722465 619803718 /nfs/dbraw/zinc/80/37/18/619803718.db2.gz BDMWHXRLFXDGFM-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722668 619804126 /nfs/dbraw/zinc/80/41/26/619804126.db2.gz CUPGQGZQISUKMF-QRVBRYPASA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722693 619804330 /nfs/dbraw/zinc/80/43/30/619804330.db2.gz DFGAQHCGLWPXQQ-AEFFLSMTSA-N 2 1 302.462 3.147 20 0 DGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724348 619804480 /nfs/dbraw/zinc/80/44/80/619804480.db2.gz MUUMOQAOPZJEBZ-IEBWSBKVSA-N 2 1 314.473 3.291 20 0 DGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725444 619804799 /nfs/dbraw/zinc/80/47/99/619804799.db2.gz ZQNJULXSDBNAIQ-QGZVFWFLSA-N 2 1 322.880 3.321 20 0 DGADMP CCC[N@H+](C[C@H]1CCCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000903726752 619805142 /nfs/dbraw/zinc/80/51/42/619805142.db2.gz OFCJVJVJOYMGKQ-SJORKVTESA-N 2 1 317.477 3.115 20 0 DGADMP CCC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000903726752 619805143 /nfs/dbraw/zinc/80/51/43/619805143.db2.gz OFCJVJVJOYMGKQ-SJORKVTESA-N 2 1 317.477 3.115 20 0 DGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732548 619805944 /nfs/dbraw/zinc/80/59/44/619805944.db2.gz FTPVBESYOAZLIT-BHIYHBOVSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1C ZINC000903734599 619807631 /nfs/dbraw/zinc/80/76/31/619807631.db2.gz SLJBDVTWVYEJQT-YZGWKJHDSA-N 2 1 314.473 3.209 20 0 DGADMP c1ccc([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903768153 619810098 /nfs/dbraw/zinc/81/00/98/619810098.db2.gz KYBOZUPSUFAVKB-RBUKOAKNSA-N 2 1 314.473 3.025 20 0 DGADMP NCC1([C@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)CCC1 ZINC000903813443 619818119 /nfs/dbraw/zinc/81/81/19/619818119.db2.gz GJGOUENLLGWJFO-LJQANCHMSA-N 3 1 324.472 3.356 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)nc1 ZINC000903831931 619820813 /nfs/dbraw/zinc/82/08/13/619820813.db2.gz OJXOCGYEBGFJRQ-GOSISDBHSA-N 2 1 303.450 3.007 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)nc1 ZINC000903833905 619821315 /nfs/dbraw/zinc/82/13/15/619821315.db2.gz YUKRBTROIVFGAD-FQEVSTJZSA-N 2 1 323.440 3.073 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000903843602 619822672 /nfs/dbraw/zinc/82/26/72/619822672.db2.gz OFSUBICFZGAGQM-YUTCNCBUSA-N 2 1 301.821 3.200 20 0 DGADMP C(C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903875530 619827312 /nfs/dbraw/zinc/82/73/12/619827312.db2.gz QAOGSBFLGNKZFF-HDDXRBDOSA-N 2 1 306.494 3.046 20 0 DGADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCC(C)C)C2CCCC2)cnn1C ZINC000903886404 619828351 /nfs/dbraw/zinc/82/83/51/619828351.db2.gz RRBLEEKDEMIZMR-KRWDZBQOSA-N 2 1 320.525 3.137 20 0 DGADMP c1ccc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCS2)cc1 ZINC000903896671 619830063 /nfs/dbraw/zinc/83/00/63/619830063.db2.gz WNFGFWLSTIIXRC-NXCDMZCRSA-N 2 1 302.487 3.307 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc21)CC(F)F ZINC000903925144 619835119 /nfs/dbraw/zinc/83/51/19/619835119.db2.gz KXBBJWAUOKDFHH-CMPLNLGQSA-N 2 1 319.193 3.009 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000903930546 619836585 /nfs/dbraw/zinc/83/65/85/619836585.db2.gz ZRNMVRHRMJMPRZ-GOOCMWNKSA-N 2 1 308.853 3.311 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903938028 619837708 /nfs/dbraw/zinc/83/77/08/619837708.db2.gz XXHKGLUZHCCYQL-IFFAKLHKSA-N 2 1 316.493 3.243 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000903938028 619837709 /nfs/dbraw/zinc/83/77/09/619837709.db2.gz XXHKGLUZHCCYQL-IFFAKLHKSA-N 2 1 316.493 3.243 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000903938028 619837712 /nfs/dbraw/zinc/83/77/12/619837712.db2.gz XXHKGLUZHCCYQL-IFFAKLHKSA-N 2 1 316.493 3.243 20 0 DGADMP FC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000903937097 619837915 /nfs/dbraw/zinc/83/79/15/619837915.db2.gz BEESDTQRPOHRGT-SFHVURJKSA-N 2 1 302.368 3.272 20 0 DGADMP c1nc(C2CCC2)sc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960096 619839598 /nfs/dbraw/zinc/83/95/98/619839598.db2.gz WXCGHAKEXOERFO-QGZVFWFLSA-N 2 1 305.491 3.376 20 0 DGADMP c1nc(C2CCC2)sc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960096 619839602 /nfs/dbraw/zinc/83/96/02/619839602.db2.gz WXCGHAKEXOERFO-QGZVFWFLSA-N 2 1 305.491 3.376 20 0 DGADMP CCCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954227 619846269 /nfs/dbraw/zinc/84/62/69/619846269.db2.gz AUDOYHSVOQMBHU-HNNXBMFYSA-N 2 1 312.404 3.200 20 0 DGADMP COc1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)ccc2c1 ZINC000903955518 619846275 /nfs/dbraw/zinc/84/62/75/619846275.db2.gz UFMKSALFNZGXQP-INIZCTEOSA-N 2 1 320.383 3.183 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972405 619847464 /nfs/dbraw/zinc/84/74/64/619847464.db2.gz HTSMLUDXBKDXCS-RTBURBONSA-N 2 1 316.489 3.064 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974986 619848041 /nfs/dbraw/zinc/84/80/41/619848041.db2.gz XZOUJJYYUINENH-PBHICJAKSA-N 2 1 322.880 3.019 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000904305358 619911198 /nfs/dbraw/zinc/91/11/98/619911198.db2.gz LSJROVCLXSWWFZ-LPHOPBHVSA-N 2 1 318.461 3.230 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000904327293 619913848 /nfs/dbraw/zinc/91/38/48/619913848.db2.gz BWDLLLPGXJLMRJ-QXCFHYIPSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000904342613 619914817 /nfs/dbraw/zinc/91/48/17/619914817.db2.gz LMPOKMDKXGZUKI-KFWWJZLASA-N 2 1 308.853 3.168 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC000904412495 619920986 /nfs/dbraw/zinc/92/09/86/619920986.db2.gz VABYPUCHNVLHCU-JSGCOSHPSA-N 2 1 312.889 3.062 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906198988 620074823 /nfs/dbraw/zinc/07/48/23/620074823.db2.gz ZIGDTJOFAHFFPU-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590108 620106965 /nfs/dbraw/zinc/10/69/65/620106965.db2.gz GRFFEJWTRVDZKU-KFKAGJAMSA-N 2 1 302.437 3.345 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590108 620106968 /nfs/dbraw/zinc/10/69/68/620106968.db2.gz GRFFEJWTRVDZKU-KFKAGJAMSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590108 620106970 /nfs/dbraw/zinc/10/69/70/620106970.db2.gz GRFFEJWTRVDZKU-KFKAGJAMSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590108 620106971 /nfs/dbraw/zinc/10/69/71/620106971.db2.gz GRFFEJWTRVDZKU-KFKAGJAMSA-N 2 1 302.437 3.345 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc3c(c2)CCO3)C1 ZINC000151107852 620423295 /nfs/dbraw/zinc/42/32/95/620423295.db2.gz GRDSXEPPGTYXFS-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C[C@H]1C[NH3+] ZINC000841100305 620450105 /nfs/dbraw/zinc/45/01/05/620450105.db2.gz CDIGTAOJQBEFKN-WCQYABFASA-N 2 1 300.418 3.418 20 0 DGADMP C[C@]1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900116 620457971 /nfs/dbraw/zinc/45/79/71/620457971.db2.gz NNOVXDJYKDLLTA-ZIAGYGMSSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@]1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900116 620457975 /nfs/dbraw/zinc/45/79/75/620457975.db2.gz NNOVXDJYKDLLTA-ZIAGYGMSSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921536820 620904667 /nfs/dbraw/zinc/90/46/67/620904667.db2.gz RUAUTRIXDDBFCD-AKHDSKFASA-N 2 1 308.510 3.436 20 0 DGADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C2CCCC2)n1 ZINC000921555298 620907449 /nfs/dbraw/zinc/90/74/49/620907449.db2.gz DZZXXLMYBSIOIL-UHFFFAOYSA-N 2 1 316.493 3.042 20 0 DGADMP CSCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000921686804 620933579 /nfs/dbraw/zinc/93/35/79/620933579.db2.gz YOGFGZNHPLZUJP-AWEZNQCLSA-N 2 1 303.475 3.480 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@H]1c1cccs1 ZINC000921776169 620948352 /nfs/dbraw/zinc/94/83/52/620948352.db2.gz MGWARTLIFVPDTH-PBHICJAKSA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@H]1c1cccs1 ZINC000921776169 620948355 /nfs/dbraw/zinc/94/83/55/620948355.db2.gz MGWARTLIFVPDTH-PBHICJAKSA-N 2 1 317.458 3.021 20 0 DGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856551798 621004364 /nfs/dbraw/zinc/00/43/64/621004364.db2.gz ZVTJJMCXOGJGNT-CRAIPNDOSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856551798 621004369 /nfs/dbraw/zinc/00/43/69/621004369.db2.gz ZVTJJMCXOGJGNT-CRAIPNDOSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856551798 621004373 /nfs/dbraw/zinc/00/43/73/621004373.db2.gz ZVTJJMCXOGJGNT-CRAIPNDOSA-N 2 1 305.466 3.033 20 0 DGADMP CC[C@@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558946 621004477 /nfs/dbraw/zinc/00/44/77/621004477.db2.gz LZEKWUBWHSCMOG-APWZRJJASA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558946 621004480 /nfs/dbraw/zinc/00/44/80/621004480.db2.gz LZEKWUBWHSCMOG-APWZRJJASA-N 2 1 319.493 3.421 20 0 DGADMP CC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558946 621004482 /nfs/dbraw/zinc/00/44/82/621004482.db2.gz LZEKWUBWHSCMOG-APWZRJJASA-N 2 1 319.493 3.421 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)CC(C)C)C2)ccn1 ZINC000856584389 621005902 /nfs/dbraw/zinc/00/59/02/621005902.db2.gz IYYRPTDOVZXZKN-VQIMIIECSA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)CC(C)C)C2)ccn1 ZINC000856584389 621005906 /nfs/dbraw/zinc/00/59/06/621005906.db2.gz IYYRPTDOVZXZKN-VQIMIIECSA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)CC(C)C)C2)ccn1 ZINC000856584389 621005910 /nfs/dbraw/zinc/00/59/10/621005910.db2.gz IYYRPTDOVZXZKN-VQIMIIECSA-N 2 1 319.493 3.421 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3=CCCC3)C2)ccn1 ZINC000856583896 621005993 /nfs/dbraw/zinc/00/59/93/621005993.db2.gz SLOWUEUVFCPUBX-IBGZPJMESA-N 2 1 315.461 3.097 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3=CCCC3)C2)ccn1 ZINC000856583896 621005994 /nfs/dbraw/zinc/00/59/94/621005994.db2.gz SLOWUEUVFCPUBX-IBGZPJMESA-N 2 1 315.461 3.097 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3=CCCC3)C2)ccn1 ZINC000856583896 621005998 /nfs/dbraw/zinc/00/59/98/621005998.db2.gz SLOWUEUVFCPUBX-IBGZPJMESA-N 2 1 315.461 3.097 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)CC(C)C)C2)ccn1 ZINC000856584387 621006071 /nfs/dbraw/zinc/00/60/71/621006071.db2.gz IYYRPTDOVZXZKN-LPHOPBHVSA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)CC(C)C)C2)ccn1 ZINC000856584387 621006075 /nfs/dbraw/zinc/00/60/75/621006075.db2.gz IYYRPTDOVZXZKN-LPHOPBHVSA-N 2 1 319.493 3.421 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)CC(C)C)C2)ccn1 ZINC000856584387 621006078 /nfs/dbraw/zinc/00/60/78/621006078.db2.gz IYYRPTDOVZXZKN-LPHOPBHVSA-N 2 1 319.493 3.421 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3C=CCCC3)C2)ccn1 ZINC000856591192 621007722 /nfs/dbraw/zinc/00/77/22/621007722.db2.gz JTUQIOYIYQUYGI-MJGOQNOKSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)ccn1 ZINC000856591192 621007725 /nfs/dbraw/zinc/00/77/25/621007725.db2.gz JTUQIOYIYQUYGI-MJGOQNOKSA-N 2 1 315.461 3.095 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)ccn1 ZINC000856591192 621007729 /nfs/dbraw/zinc/00/77/29/621007729.db2.gz JTUQIOYIYQUYGI-MJGOQNOKSA-N 2 1 315.461 3.095 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc2ncccc2c1 ZINC000922476532 621043506 /nfs/dbraw/zinc/04/35/06/621043506.db2.gz ZKGUCRNRGVASAI-UHFFFAOYSA-N 2 1 306.413 3.028 20 0 DGADMP Fc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000922705741 621086823 /nfs/dbraw/zinc/08/68/23/621086823.db2.gz JVNIQDKJJQOXGK-ZWKOTPCHSA-N 2 1 302.437 3.464 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000922821152 621105472 /nfs/dbraw/zinc/10/54/72/621105472.db2.gz KVTNBQCMCTUNDQ-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000922821152 621105475 /nfs/dbraw/zinc/10/54/75/621105475.db2.gz KVTNBQCMCTUNDQ-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1(C)C ZINC000922963311 621140514 /nfs/dbraw/zinc/14/05/14/621140514.db2.gz LTXNBYHNGFTERW-IEBWSBKVSA-N 2 1 302.462 3.155 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000858117109 621155017 /nfs/dbraw/zinc/15/50/17/621155017.db2.gz ABLVCUYXDSVCAT-HNNXBMFYSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000858117109 621155018 /nfs/dbraw/zinc/15/50/18/621155018.db2.gz ABLVCUYXDSVCAT-HNNXBMFYSA-N 2 1 319.449 3.284 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1(C)C ZINC000858155950 621159641 /nfs/dbraw/zinc/15/96/41/621159641.db2.gz CBFLEILQIYLJFX-QPIRBTGLSA-N 2 1 316.489 3.279 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307501 621173722 /nfs/dbraw/zinc/17/37/22/621173722.db2.gz XGZTYDRCZOBMRR-GUYCJALGSA-N 2 1 320.864 3.244 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309248 621175467 /nfs/dbraw/zinc/17/54/67/621175467.db2.gz OOISDIXHHHOTMG-IPMKNSEASA-N 2 1 314.473 3.023 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH2+]C2CC2)cc1 ZINC000923393173 621181153 /nfs/dbraw/zinc/18/11/53/621181153.db2.gz YVKRIQRJKMXGJL-JJTKIYQPSA-N 2 1 300.446 3.203 20 0 DGADMP CCc1ncc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000923422861 621182795 /nfs/dbraw/zinc/18/27/95/621182795.db2.gz UDUVJKOUWFAFGU-YOEHRIQHSA-N 2 1 305.466 3.357 20 0 DGADMP C(C[N@H+]1CCCC[C@@H](C2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923424761 621182975 /nfs/dbraw/zinc/18/29/75/621182975.db2.gz CBWYRYGOZLEBHE-NLBBHCLQSA-N 2 1 320.521 3.436 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)c1ccccc1C(F)(F)F ZINC000923427147 621183285 /nfs/dbraw/zinc/18/32/85/621183285.db2.gz SHTISJRJVGNXNF-HNNXBMFYSA-N 2 1 318.383 3.190 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1OCCc2sccc21 ZINC000923428414 621183497 /nfs/dbraw/zinc/18/34/97/621183497.db2.gz YONQODGSZUXMAN-UCMJJCQDSA-N 2 1 320.502 3.214 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000923421552 621183860 /nfs/dbraw/zinc/18/38/60/621183860.db2.gz RDZLWGBEMIAYOW-SOXMVSPVSA-N 2 1 318.436 3.200 20 0 DGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485131 621187328 /nfs/dbraw/zinc/18/73/28/621187328.db2.gz GDOXXTAZHWEFNQ-NWDGAFQWSA-N 2 1 320.824 3.122 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000923486248 621187603 /nfs/dbraw/zinc/18/76/03/621187603.db2.gz DRSJFJTXTVZKOV-KRWDZBQOSA-N 2 1 323.440 3.110 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC000923492379 621188079 /nfs/dbraw/zinc/18/80/79/621188079.db2.gz OAOUVFBWCISYSZ-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC[C@H]1C[NH3+] ZINC000923493700 621188090 /nfs/dbraw/zinc/18/80/90/621188090.db2.gz UCHLBTUUQUYTBX-BVBHFADKSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(Nc3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923496652 621188264 /nfs/dbraw/zinc/18/82/64/621188264.db2.gz IJZBNAZDUZZINM-KBPBESRZSA-N 2 1 316.474 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923493921 621188344 /nfs/dbraw/zinc/18/83/44/621188344.db2.gz JIRQWZBAHUMXEA-AAEUAGOBSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923499097 621188863 /nfs/dbraw/zinc/18/88/63/621188863.db2.gz JPIZXJPDVBJABU-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923498935 621189211 /nfs/dbraw/zinc/18/92/11/621189211.db2.gz JCHHRXCBEFXQLD-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499363 621189358 /nfs/dbraw/zinc/18/93/58/621189358.db2.gz KBRNIBCNKLKCKG-AGIUHOORSA-N 2 1 322.403 3.409 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923498984 621189389 /nfs/dbraw/zinc/18/93/89/621189389.db2.gz JTSJZKOTAAQOEE-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506941 621190187 /nfs/dbraw/zinc/19/01/87/621190187.db2.gz ZSHFNPCMFLAZDI-ZIAGYGMSSA-N 2 1 318.465 3.110 20 0 DGADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506939 621190325 /nfs/dbraw/zinc/19/03/25/621190325.db2.gz ZSHFNPCMFLAZDI-UONOGXRCSA-N 2 1 318.465 3.110 20 0 DGADMP Cc1ccc([C@H](O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859215239 621261151 /nfs/dbraw/zinc/26/11/51/621261151.db2.gz ZPQFNSJMEFPYSW-HXUWFJFHSA-N 2 1 312.457 3.222 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000839182681 621343879 /nfs/dbraw/zinc/34/38/79/621343879.db2.gz OYBHCHDXTCMWBI-SFHVURJKSA-N 2 1 315.505 3.498 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(F)n1 ZINC000859996443 621353808 /nfs/dbraw/zinc/35/38/08/621353808.db2.gz BOZYETYQJUEHDT-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464830 621511999 /nfs/dbraw/zinc/51/19/99/621511999.db2.gz MQLFVQNJAPBBHZ-ZSZQSSIHSA-N 2 1 320.452 3.102 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464777 621512028 /nfs/dbraw/zinc/51/20/28/621512028.db2.gz LXLWVYTTZICYNB-RWMBFGLXSA-N 2 1 305.293 3.423 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464823 621512116 /nfs/dbraw/zinc/51/21/16/621512116.db2.gz MQLFVQNJAPBBHZ-GMBSWORKSA-N 2 1 320.452 3.102 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3n[nH]cc32)cc1 ZINC000862366205 621579457 /nfs/dbraw/zinc/57/94/57/621579457.db2.gz DPFAVMYUAQNIMN-UHFFFAOYSA-N 2 1 308.429 3.257 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000839650219 621703911 /nfs/dbraw/zinc/70/39/11/621703911.db2.gz KMBRGABZLVAWRX-ZCNNSNEGSA-N 2 1 316.489 3.101 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000839650219 621703915 /nfs/dbraw/zinc/70/39/15/621703915.db2.gz KMBRGABZLVAWRX-ZCNNSNEGSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc2c(F)cccc2c1)C[NH+]1CCCC1 ZINC000865417948 621915860 /nfs/dbraw/zinc/91/58/60/621915860.db2.gz DQONYSGLQAIIEF-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865600136 621959616 /nfs/dbraw/zinc/95/96/16/621959616.db2.gz FEUFMEDEXQXSNI-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@H]21 ZINC000866207968 622066900 /nfs/dbraw/zinc/06/69/00/622066900.db2.gz ZBLIJBDMKMEXFS-BLLLJJGKSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@H]21 ZINC000866207968 622066904 /nfs/dbraw/zinc/06/69/04/622066904.db2.gz ZBLIJBDMKMEXFS-BLLLJJGKSA-N 2 1 301.821 3.419 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000866265930 622079690 /nfs/dbraw/zinc/07/96/90/622079690.db2.gz AHBPZOBMPXGWNL-PXNSSMCTSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc2c(ccnc2Cl)o1 ZINC000866341953 622097995 /nfs/dbraw/zinc/09/79/95/622097995.db2.gz QHZOAXKXMBSGSC-JTQLQIEISA-N 2 1 304.781 3.108 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(F)c3)CC2)C1 ZINC000866472873 622123930 /nfs/dbraw/zinc/12/39/30/622123930.db2.gz FWJABWGFNPJZEG-RHSMWYFYSA-N 2 1 305.441 3.353 20 0 DGADMP c1cncc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCCC2)c1 ZINC000866609365 622146298 /nfs/dbraw/zinc/14/62/98/622146298.db2.gz METSMYNRSATZJS-HXUWFJFHSA-N 2 1 313.489 3.399 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000866705802 622159000 /nfs/dbraw/zinc/15/90/00/622159000.db2.gz BTLAXEZTIXUHMV-KRWDZBQOSA-N 2 1 303.475 3.493 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000866705802 622159001 /nfs/dbraw/zinc/15/90/01/622159001.db2.gz BTLAXEZTIXUHMV-KRWDZBQOSA-N 2 1 303.475 3.493 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000866717336 622159480 /nfs/dbraw/zinc/15/94/80/622159480.db2.gz BZJCTCIRBZMDDR-DLBZAZTESA-N 2 1 302.462 3.264 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000765245396 622253847 /nfs/dbraw/zinc/25/38/47/622253847.db2.gz PECNEXIADKBMKA-IEBWSBKVSA-N 2 1 315.505 3.292 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000765979878 622298103 /nfs/dbraw/zinc/29/81/03/622298103.db2.gz XQWLHVPVHSSRIE-KDOFPFPSSA-N 2 1 306.425 3.120 20 0 DGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000766272628 622316151 /nfs/dbraw/zinc/31/61/51/622316151.db2.gz ZTNKBUCSIXEIKW-QWFCFKBJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766272628 622316153 /nfs/dbraw/zinc/31/61/53/622316153.db2.gz ZTNKBUCSIXEIKW-QWFCFKBJSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766272628 622316156 /nfs/dbraw/zinc/31/61/56/622316156.db2.gz ZTNKBUCSIXEIKW-QWFCFKBJSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2cc1C ZINC000768503892 622460487 /nfs/dbraw/zinc/46/04/87/622460487.db2.gz TZNWYMBYQCLNBD-WMZOPIPTSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2cc1C ZINC000768503892 622460488 /nfs/dbraw/zinc/46/04/88/622460488.db2.gz TZNWYMBYQCLNBD-WMZOPIPTSA-N 2 1 312.461 3.027 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2occc2Br)CC1 ZINC000768999517 622491162 /nfs/dbraw/zinc/49/11/62/622491162.db2.gz YYIIRNJLMQERKT-UHFFFAOYSA-N 2 1 315.255 3.206 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769482437 622532369 /nfs/dbraw/zinc/53/23/69/622532369.db2.gz BRHLQRVUPDOCAM-LJQANCHMSA-N 2 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000769482437 622532370 /nfs/dbraw/zinc/53/23/70/622532370.db2.gz BRHLQRVUPDOCAM-LJQANCHMSA-N 3 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000769482437 622532371 /nfs/dbraw/zinc/53/23/71/622532371.db2.gz BRHLQRVUPDOCAM-LJQANCHMSA-N 3 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000769482437 622532372 /nfs/dbraw/zinc/53/23/72/622532372.db2.gz BRHLQRVUPDOCAM-LJQANCHMSA-N 3 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000769482437 622532373 /nfs/dbraw/zinc/53/23/73/622532373.db2.gz BRHLQRVUPDOCAM-LJQANCHMSA-N 3 1 303.494 3.054 20 0 DGADMP CCc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000871784988 622697508 /nfs/dbraw/zinc/69/75/08/622697508.db2.gz NILUCYKRMLTIOD-ALOPSCKCSA-N 2 1 301.434 3.120 20 0 DGADMP CCc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000871784988 622697510 /nfs/dbraw/zinc/69/75/10/622697510.db2.gz NILUCYKRMLTIOD-ALOPSCKCSA-N 2 1 301.434 3.120 20 0 DGADMP CCCCCC[N@H+](C)Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871795279 622700598 /nfs/dbraw/zinc/70/05/98/622700598.db2.gz MVTOIEUSQNYZBZ-GOOCMWNKSA-N 2 1 306.454 3.080 20 0 DGADMP CCCCCC[N@@H+](C)Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871795279 622700602 /nfs/dbraw/zinc/70/06/02/622700602.db2.gz MVTOIEUSQNYZBZ-GOOCMWNKSA-N 2 1 306.454 3.080 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872150699 622832831 /nfs/dbraw/zinc/83/28/31/622832831.db2.gz GDYMLDXNEDBYNC-NWDGAFQWSA-N 2 1 308.294 3.193 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872150699 622832837 /nfs/dbraw/zinc/83/28/37/622832837.db2.gz GDYMLDXNEDBYNC-NWDGAFQWSA-N 2 1 308.294 3.193 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872147083 622833683 /nfs/dbraw/zinc/83/36/83/622833683.db2.gz CWQVTGCTRLHRRE-ZBFHGGJFSA-N 2 1 308.347 3.409 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(-c2cccc(Cl)c2)no1 ZINC000872154936 622835257 /nfs/dbraw/zinc/83/52/57/622835257.db2.gz FXCCWWIPPCPYAW-UHFFFAOYSA-N 2 1 322.840 3.341 20 0 DGADMP CCn1c2cccc(F)c2nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872155758 622836289 /nfs/dbraw/zinc/83/62/89/622836289.db2.gz WGXQBZTUMDCPPQ-UHFFFAOYSA-N 2 1 306.429 3.146 20 0 DGADMP Cn1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156108 622836649 /nfs/dbraw/zinc/83/66/49/622836649.db2.gz DWFRVDXESSRKAB-CZUORRHYSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156108 622836654 /nfs/dbraw/zinc/83/66/54/622836654.db2.gz DWFRVDXESSRKAB-CZUORRHYSA-N 2 1 324.900 3.193 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(F)c1OC(F)F ZINC000872155383 622837257 /nfs/dbraw/zinc/83/72/57/622837257.db2.gz MCSPRFFUDVEZJI-UHFFFAOYSA-N 2 1 304.356 3.378 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156427 622838296 /nfs/dbraw/zinc/83/82/96/622838296.db2.gz JNVBYLRPJQLZKM-IEBWSBKVSA-N 2 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156427 622838302 /nfs/dbraw/zinc/83/83/02/622838302.db2.gz JNVBYLRPJQLZKM-IEBWSBKVSA-N 3 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156427 622838305 /nfs/dbraw/zinc/83/83/05/622838305.db2.gz JNVBYLRPJQLZKM-IEBWSBKVSA-N 3 1 318.509 3.201 20 0 DGADMP CCCc1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156407 622839226 /nfs/dbraw/zinc/83/92/26/622839226.db2.gz JDKZUMJEPJHCQR-GOEBONIOSA-N 2 1 320.481 3.142 20 0 DGADMP CCCc1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156407 622839232 /nfs/dbraw/zinc/83/92/32/622839232.db2.gz JDKZUMJEPJHCQR-GOEBONIOSA-N 2 1 320.481 3.142 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000873222994 623080568 /nfs/dbraw/zinc/08/05/68/623080568.db2.gz GCUGFJPQWOPVQZ-IBGZPJMESA-N 2 1 312.461 3.069 20 0 DGADMP CCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227111 623081807 /nfs/dbraw/zinc/08/18/07/623081807.db2.gz HENGGNQITGXSLS-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP CCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227111 623081814 /nfs/dbraw/zinc/08/18/14/623081814.db2.gz HENGGNQITGXSLS-UKRRQHHQSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231555 623085042 /nfs/dbraw/zinc/08/50/42/623085042.db2.gz OCPPAGVQVYSWCT-UHFFFAOYSA-N 2 1 300.450 3.132 20 0 DGADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231805 623085084 /nfs/dbraw/zinc/08/50/84/623085084.db2.gz WABBHONOOHMZRN-UHFFFAOYSA-N 2 1 308.857 3.178 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000873242119 623088880 /nfs/dbraw/zinc/08/88/80/623088880.db2.gz LXAPKJLPCDKQCV-OALUTQOASA-N 3 1 301.478 3.231 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000873242119 623088883 /nfs/dbraw/zinc/08/88/83/623088883.db2.gz LXAPKJLPCDKQCV-OALUTQOASA-N 2 1 301.478 3.231 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[NH+]1CCCC1 ZINC000775362737 623260130 /nfs/dbraw/zinc/26/01/30/623260130.db2.gz IEANMSGHTCLWCB-QKPAOTATSA-N 2 1 314.564 3.076 20 0 DGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000776170159 623389591 /nfs/dbraw/zinc/38/95/91/623389591.db2.gz ZDHYJQNHTKULHJ-SFHVURJKSA-N 2 1 300.446 3.314 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC[P@@](C)(=O)OCC)C1 ZINC000876963895 623756418 /nfs/dbraw/zinc/75/64/18/623756418.db2.gz JYXDCGBRHSVVMZ-SXGZJXTBSA-N 2 1 304.415 3.031 20 0 DGADMP Clc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000877144431 623806401 /nfs/dbraw/zinc/80/64/01/623806401.db2.gz MIZHGXMSWPXCGX-UHFFFAOYSA-N 2 1 316.836 3.016 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877487514 623907687 /nfs/dbraw/zinc/90/76/87/623907687.db2.gz VKGBDRRXQCXLAI-LSDHHAIUSA-N 2 1 313.272 3.292 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000877496724 623912099 /nfs/dbraw/zinc/91/20/99/623912099.db2.gz XKCHIOXOLQTBCL-WOJBJXKFSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530321 623928132 /nfs/dbraw/zinc/92/81/32/623928132.db2.gz CSCXPTXVKBXAON-DOMZBBRYSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530321 623928137 /nfs/dbraw/zinc/92/81/37/623928137.db2.gz CSCXPTXVKBXAON-DOMZBBRYSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530321 623928139 /nfs/dbraw/zinc/92/81/39/623928139.db2.gz CSCXPTXVKBXAON-DOMZBBRYSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877530321 623928143 /nfs/dbraw/zinc/92/81/43/623928143.db2.gz CSCXPTXVKBXAON-DOMZBBRYSA-N 2 1 319.836 3.397 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000877584854 623951853 /nfs/dbraw/zinc/95/18/53/623951853.db2.gz JUGMJHYCFFHNLD-SXGZJXTBSA-N 2 1 304.415 3.031 20 0 DGADMP COCC[N@H+](Cc1csc(C)c1C)CC1CC[NH+](C)CC1 ZINC000877664165 623982656 /nfs/dbraw/zinc/98/26/56/623982656.db2.gz IQLQCLMAXJNTMQ-UHFFFAOYSA-N 2 1 310.507 3.155 20 0 DGADMP COCC[N@H+](Cc1cscc1Cl)CC1CC[NH+](C)CC1 ZINC000877663865 623982936 /nfs/dbraw/zinc/98/29/36/623982936.db2.gz CATMGFKRHZATRX-UHFFFAOYSA-N 2 1 316.898 3.192 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741262 624013991 /nfs/dbraw/zinc/01/39/91/624013991.db2.gz AEIBXFWSFBJVNS-QUCCMNQESA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)ccc2c1 ZINC000877741262 624013994 /nfs/dbraw/zinc/01/39/94/624013994.db2.gz AEIBXFWSFBJVNS-QUCCMNQESA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CC[N@@H+]4C)C3)ccc2c1 ZINC000877741262 624014000 /nfs/dbraw/zinc/01/40/00/624014000.db2.gz AEIBXFWSFBJVNS-QUCCMNQESA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CC[N@H+]4C)C3)ccc2c1 ZINC000877741262 624014006 /nfs/dbraw/zinc/01/40/06/624014006.db2.gz AEIBXFWSFBJVNS-QUCCMNQESA-N 2 1 310.441 3.374 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741824 624015249 /nfs/dbraw/zinc/01/52/49/624015249.db2.gz NRYPAWCBBYFWIB-JYVUQVBGSA-N 2 1 304.400 3.381 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741824 624015253 /nfs/dbraw/zinc/01/52/53/624015253.db2.gz NRYPAWCBBYFWIB-JYVUQVBGSA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741824 624015256 /nfs/dbraw/zinc/01/52/56/624015256.db2.gz NRYPAWCBBYFWIB-JYVUQVBGSA-N 2 1 304.400 3.381 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000877741824 624015262 /nfs/dbraw/zinc/01/52/62/624015262.db2.gz NRYPAWCBBYFWIB-JYVUQVBGSA-N 2 1 304.400 3.381 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743263 624017429 /nfs/dbraw/zinc/01/74/29/624017429.db2.gz UZDGNKIVPMMIGJ-DBSCDJSESA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743263 624017432 /nfs/dbraw/zinc/01/74/32/624017432.db2.gz UZDGNKIVPMMIGJ-DBSCDJSESA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743263 624017434 /nfs/dbraw/zinc/01/74/34/624017434.db2.gz UZDGNKIVPMMIGJ-DBSCDJSESA-N 2 1 314.473 3.262 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743263 624017437 /nfs/dbraw/zinc/01/74/37/624017437.db2.gz UZDGNKIVPMMIGJ-DBSCDJSESA-N 2 1 314.473 3.262 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878020501 624137117 /nfs/dbraw/zinc/13/71/17/624137117.db2.gz LWVJLCQHWIVKQR-HDICACEKSA-N 2 1 319.537 3.057 20 0 DGADMP CC(C)[C@H](O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173076 624201870 /nfs/dbraw/zinc/20/18/70/624201870.db2.gz QNZVYEVFFPEXLM-YSIASYRMSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173076 624201872 /nfs/dbraw/zinc/20/18/72/624201872.db2.gz QNZVYEVFFPEXLM-YSIASYRMSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173076 624201874 /nfs/dbraw/zinc/20/18/74/624201874.db2.gz QNZVYEVFFPEXLM-YSIASYRMSA-N 2 1 318.505 3.378 20 0 DGADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000878173076 624201876 /nfs/dbraw/zinc/20/18/76/624201876.db2.gz QNZVYEVFFPEXLM-YSIASYRMSA-N 2 1 318.505 3.378 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCCCC2 ZINC000782184010 624216260 /nfs/dbraw/zinc/21/62/60/624216260.db2.gz PQSLEFKVVRMIRP-QZTJIDSGSA-N 2 1 308.510 3.388 20 0 DGADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878285554 624235711 /nfs/dbraw/zinc/23/57/11/624235711.db2.gz BZOZEMUYMUNVSQ-NJAFHUGGSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@@H]1CCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285554 624235712 /nfs/dbraw/zinc/23/57/12/624235712.db2.gz BZOZEMUYMUNVSQ-NJAFHUGGSA-N 2 1 304.478 3.037 20 0 DGADMP C([C@@H]1CCC2(CCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285554 624235713 /nfs/dbraw/zinc/23/57/13/624235713.db2.gz BZOZEMUYMUNVSQ-NJAFHUGGSA-N 2 1 304.478 3.037 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H](O)C(C)C)CC1)CC1CC1 ZINC000878340042 624249051 /nfs/dbraw/zinc/24/90/51/624249051.db2.gz OLXQEEJUDMBSEC-IBGZPJMESA-N 2 1 310.526 3.227 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782761501 624280741 /nfs/dbraw/zinc/28/07/41/624280741.db2.gz ZXLRYQLVEUKMCO-APWZRJJASA-N 2 1 302.462 3.086 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782762587 624280904 /nfs/dbraw/zinc/28/09/04/624280904.db2.gz SICFUKVJDPYRKT-APWZRJJASA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCOCC)cc2)CC1 ZINC000782948880 624293217 /nfs/dbraw/zinc/29/32/17/624293217.db2.gz CFJTYWXGOZHSQL-UHFFFAOYSA-N 2 1 306.450 3.023 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878511447 624294356 /nfs/dbraw/zinc/29/43/56/624294356.db2.gz CHNLSDVFSMSAIO-IKGGRYGDSA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878511447 624294357 /nfs/dbraw/zinc/29/43/57/624294357.db2.gz CHNLSDVFSMSAIO-IKGGRYGDSA-N 2 1 305.466 3.115 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000878667797 624336069 /nfs/dbraw/zinc/33/60/69/624336069.db2.gz BFZXNTYCAJZNHE-IHPCNDPISA-N 2 1 314.473 3.198 20 0 DGADMP FC1(F)CCC[C@H]1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748917 624353025 /nfs/dbraw/zinc/35/30/25/624353025.db2.gz UFOCAKHCQAUUDW-HNNXBMFYSA-N 2 1 309.404 3.419 20 0 DGADMP CCOCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000783489997 624357744 /nfs/dbraw/zinc/35/77/44/624357744.db2.gz HFVSDPDLMGMOPW-GOSISDBHSA-N 2 1 320.477 3.223 20 0 DGADMP CCOCOc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000783489997 624357749 /nfs/dbraw/zinc/35/77/49/624357749.db2.gz HFVSDPDLMGMOPW-GOSISDBHSA-N 2 1 320.477 3.223 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000783486987 624357923 /nfs/dbraw/zinc/35/79/23/624357923.db2.gz QEDSOAPROWVGPK-GOSISDBHSA-N 2 1 320.477 3.366 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000783486987 624357924 /nfs/dbraw/zinc/35/79/24/624357924.db2.gz QEDSOAPROWVGPK-GOSISDBHSA-N 2 1 320.477 3.366 20 0 DGADMP CCOCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000783486987 624357926 /nfs/dbraw/zinc/35/79/26/624357926.db2.gz QEDSOAPROWVGPK-GOSISDBHSA-N 2 1 320.477 3.366 20 0 DGADMP CCOCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000783486987 624357927 /nfs/dbraw/zinc/35/79/27/624357927.db2.gz QEDSOAPROWVGPK-GOSISDBHSA-N 2 1 320.477 3.366 20 0 DGADMP C=C/C=C\CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019120 624409306 /nfs/dbraw/zinc/40/93/06/624409306.db2.gz OTEZKEMIVFHWNV-RURPWVQCSA-N 2 1 315.461 3.119 20 0 DGADMP O[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000879245190 624459741 /nfs/dbraw/zinc/45/97/41/624459741.db2.gz JBTNHLARQDCGGP-RTBURBONSA-N 2 1 302.462 3.060 20 0 DGADMP CC(=O)c1c(C)cc(C)c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000879569016 624594362 /nfs/dbraw/zinc/59/43/62/624594362.db2.gz HNBNBHIXICPGLH-IEBWSBKVSA-N 2 1 314.473 3.340 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569986 624594789 /nfs/dbraw/zinc/59/47/89/624594789.db2.gz CZFWSADHWVGSEP-MJGOQNOKSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569986 624594791 /nfs/dbraw/zinc/59/47/91/624594791.db2.gz CZFWSADHWVGSEP-MJGOQNOKSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569986 624594794 /nfs/dbraw/zinc/59/47/94/624594794.db2.gz CZFWSADHWVGSEP-MJGOQNOKSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569986 624594796 /nfs/dbraw/zinc/59/47/96/624594796.db2.gz CZFWSADHWVGSEP-MJGOQNOKSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000879569986 624594799 /nfs/dbraw/zinc/59/47/99/624594799.db2.gz CZFWSADHWVGSEP-MJGOQNOKSA-N 2 1 310.441 3.245 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879702577 624645228 /nfs/dbraw/zinc/64/52/28/624645228.db2.gz QSAIAEAXKYKRDK-IBGZPJMESA-N 2 1 304.478 3.020 20 0 DGADMP CC(C)C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879702578 624645381 /nfs/dbraw/zinc/64/53/81/624645381.db2.gz QSAIAEAXKYKRDK-LJQANCHMSA-N 2 1 304.478 3.020 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)CC1CC[NH+](C)CC1 ZINC000879706134 624646482 /nfs/dbraw/zinc/64/64/82/624646482.db2.gz VQHMEFCWIPLTEG-CEXWTWQISA-N 2 1 308.510 3.244 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920392 624722423 /nfs/dbraw/zinc/72/24/23/624722423.db2.gz ZEXANMGGBWDBCN-MRXNPFEDSA-N 2 1 315.465 3.308 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920392 624722431 /nfs/dbraw/zinc/72/24/31/624722431.db2.gz ZEXANMGGBWDBCN-MRXNPFEDSA-N 2 1 315.465 3.308 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879920392 624722436 /nfs/dbraw/zinc/72/24/36/624722436.db2.gz ZEXANMGGBWDBCN-MRXNPFEDSA-N 2 1 315.465 3.308 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879920392 624722441 /nfs/dbraw/zinc/72/24/41/624722441.db2.gz ZEXANMGGBWDBCN-MRXNPFEDSA-N 2 1 315.465 3.308 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000879918421 624722779 /nfs/dbraw/zinc/72/27/79/624722779.db2.gz DBTBRJDGMQOFEK-HZPDHXFCSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000879918421 624722782 /nfs/dbraw/zinc/72/27/82/624722782.db2.gz DBTBRJDGMQOFEK-HZPDHXFCSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)[nH]n1 ZINC000879918421 624722787 /nfs/dbraw/zinc/72/27/87/624722787.db2.gz DBTBRJDGMQOFEK-HZPDHXFCSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918421 624722790 /nfs/dbraw/zinc/72/27/90/624722790.db2.gz DBTBRJDGMQOFEK-HZPDHXFCSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918421 624722796 /nfs/dbraw/zinc/72/27/96/624722796.db2.gz DBTBRJDGMQOFEK-HZPDHXFCSA-N 2 1 304.482 3.197 20 0 DGADMP Cc1ccc([C@H](O)C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC000879948340 624728486 /nfs/dbraw/zinc/72/84/86/624728486.db2.gz BSSMVIQIRJBJOR-LJQANCHMSA-N 2 1 316.489 3.369 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880060142 624770489 /nfs/dbraw/zinc/77/04/89/624770489.db2.gz ORQSVIOISWIECH-GXTWGEPZSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880060142 624770493 /nfs/dbraw/zinc/77/04/93/624770493.db2.gz ORQSVIOISWIECH-GXTWGEPZSA-N 2 1 319.371 3.013 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000880253894 624869398 /nfs/dbraw/zinc/86/93/98/624869398.db2.gz DMSYAAQBEIRQAA-UHFFFAOYSA-N 2 1 318.509 3.230 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000880476247 624964294 /nfs/dbraw/zinc/96/42/94/624964294.db2.gz ROACTAHQCFEHBZ-OALUTQOASA-N 2 1 314.473 3.467 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc2c(c1)COC2 ZINC000880517608 624971091 /nfs/dbraw/zinc/97/10/91/624971091.db2.gz UQTLEIWAQNGNGN-UHFFFAOYSA-N 2 1 302.462 3.415 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788646021 625235293 /nfs/dbraw/zinc/23/52/93/625235293.db2.gz QDYGBBAKFFOLMD-OAHLLOKOSA-N 2 1 313.445 3.478 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883073268 625917078 /nfs/dbraw/zinc/91/70/78/625917078.db2.gz LBVPIYDPSHKPTR-QGZVFWFLSA-N 2 1 316.489 3.217 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1C ZINC000883122141 625933660 /nfs/dbraw/zinc/93/36/60/625933660.db2.gz CGZXQOCSTPMNGO-OAHLLOKOSA-N 2 1 313.445 3.128 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC(C)(C)CC[C@@H]2C)CC1 ZINC000883172436 625952985 /nfs/dbraw/zinc/95/29/85/625952985.db2.gz HEBRNGHCWXTNLS-ZWKOTPCHSA-N 2 1 309.542 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000796746124 626078144 /nfs/dbraw/zinc/07/81/44/626078144.db2.gz PPRWETSDIFRZBZ-SLFFLAALSA-N 3 1 321.553 3.495 20 0 DGADMP CN1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000796746124 626078146 /nfs/dbraw/zinc/07/81/46/626078146.db2.gz PPRWETSDIFRZBZ-SLFFLAALSA-N 2 1 321.553 3.495 20 0 DGADMP Cc1ccc(C(=O)CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177638 626277979 /nfs/dbraw/zinc/27/79/79/626277979.db2.gz AHSLYFKIOGOLAL-UHFFFAOYSA-N 2 1 314.473 3.376 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799179720 626278101 /nfs/dbraw/zinc/27/81/01/626278101.db2.gz RYYNQCXWJOQYAD-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883416399 626677659 /nfs/dbraw/zinc/67/76/59/626677659.db2.gz UDTDJPFXKOSKKT-QXAKKESOSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416327 626677695 /nfs/dbraw/zinc/67/76/95/626677695.db2.gz RXZWGAPXJVMKSJ-MOPGFXCFSA-N 2 1 300.446 3.123 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883417712 626678210 /nfs/dbraw/zinc/67/82/10/626678210.db2.gz KROHHWYIQFPMHU-WZGPROSRSA-N 2 1 302.462 3.356 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424370 626679450 /nfs/dbraw/zinc/67/94/50/626679450.db2.gz PMXLUMFGXYZTOR-YRPNKDGESA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883432939 626681568 /nfs/dbraw/zinc/68/15/68/626681568.db2.gz DVMHSYHIWPBFNB-PHAGKYIGSA-N 2 1 302.462 3.212 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000883447877 626683751 /nfs/dbraw/zinc/68/37/51/626683751.db2.gz NYDCWOSJOGDGCP-SJLPKXTDSA-N 2 1 324.472 3.256 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806130109 626700575 /nfs/dbraw/zinc/70/05/75/626700575.db2.gz PRFUDIUCIJKECC-HNNXBMFYSA-N 2 1 307.869 3.432 20 0 DGADMP Cc1cccc2ncc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)n21 ZINC000809737760 626944135 /nfs/dbraw/zinc/94/41/35/626944135.db2.gz JTLLYCGBVYSIRZ-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP COc1cccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)oc21 ZINC000809766059 626948582 /nfs/dbraw/zinc/94/85/82/626948582.db2.gz TXYCJQASLUFDNX-XJKSGUPXSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)oc21 ZINC000809766059 626948583 /nfs/dbraw/zinc/94/85/83/626948583.db2.gz TXYCJQASLUFDNX-XJKSGUPXSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)oc21 ZINC000809766059 626948584 /nfs/dbraw/zinc/94/85/84/626948584.db2.gz TXYCJQASLUFDNX-XJKSGUPXSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)oc21 ZINC000809766059 626948586 /nfs/dbraw/zinc/94/85/86/626948586.db2.gz TXYCJQASLUFDNX-XJKSGUPXSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)oc21 ZINC000809766056 626948887 /nfs/dbraw/zinc/94/88/87/626948887.db2.gz TXYCJQASLUFDNX-BBRMVZONSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)oc21 ZINC000809766056 626948889 /nfs/dbraw/zinc/94/88/89/626948889.db2.gz TXYCJQASLUFDNX-BBRMVZONSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)oc21 ZINC000809766056 626948891 /nfs/dbraw/zinc/94/88/91/626948891.db2.gz TXYCJQASLUFDNX-BBRMVZONSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)oc21 ZINC000809766056 626948894 /nfs/dbraw/zinc/94/88/94/626948894.db2.gz TXYCJQASLUFDNX-BBRMVZONSA-N 2 1 302.418 3.213 20 0 DGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000810144740 626981151 /nfs/dbraw/zinc/98/11/51/626981151.db2.gz GMYPAEQTVSLEMY-KVSKMBFKSA-N 2 1 306.494 3.212 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885938032 627064637 /nfs/dbraw/zinc/06/46/37/627064637.db2.gz PPAGMYHXOGODPY-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885938032 627064638 /nfs/dbraw/zinc/06/46/38/627064638.db2.gz PPAGMYHXOGODPY-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP Fc1cccc(/C=C\C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000885983453 627075878 /nfs/dbraw/zinc/07/58/78/627075878.db2.gz HCBFDFAMPKKFAK-QDVBSOPMSA-N 2 1 318.436 3.072 20 0 DGADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000885985435 627076344 /nfs/dbraw/zinc/07/63/44/627076344.db2.gz IADVVHXNDBRBFQ-IPMKNSEASA-N 2 1 306.494 3.001 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885999740 627079251 /nfs/dbraw/zinc/07/92/51/627079251.db2.gz MGNLHEXOSGYXLW-KRWDZBQOSA-N 2 1 305.466 3.443 20 0 DGADMP COc1cc(C)cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1OC ZINC000886002110 627080621 /nfs/dbraw/zinc/08/06/21/627080621.db2.gz QVSNQXFUFNQRPB-ALOPSCKCSA-N 2 1 318.461 3.117 20 0 DGADMP C([C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCCC1 ZINC000886020583 627086350 /nfs/dbraw/zinc/08/63/50/627086350.db2.gz DCZJUSIMMHNFRX-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCCC1 ZINC000886020584 627086481 /nfs/dbraw/zinc/08/64/81/627086481.db2.gz DCZJUSIMMHNFRX-ZWKOTPCHSA-N 2 1 306.494 3.144 20 0 DGADMP FC(F)(F)SCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081489 627099936 /nfs/dbraw/zinc/09/99/36/627099936.db2.gz QHQZMIHKNFYSST-YPMHNXCESA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081489 627099938 /nfs/dbraw/zinc/09/99/38/627099938.db2.gz QHQZMIHKNFYSST-YPMHNXCESA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081489 627099940 /nfs/dbraw/zinc/09/99/40/627099940.db2.gz QHQZMIHKNFYSST-YPMHNXCESA-N 2 1 308.413 3.188 20 0 DGADMP FC(F)(F)SCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081489 627099942 /nfs/dbraw/zinc/09/99/42/627099942.db2.gz QHQZMIHKNFYSST-YPMHNXCESA-N 2 1 308.413 3.188 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127701 627109175 /nfs/dbraw/zinc/10/91/75/627109175.db2.gz QIUMRDXXVBRBBH-QNDJGXFYSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000886172032 627117187 /nfs/dbraw/zinc/11/71/87/627117187.db2.gz UVWUYCKYUVBTMB-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000886218508 627122525 /nfs/dbraw/zinc/12/25/25/627122525.db2.gz XIEPIOLCGIOTRT-UYAOXDASSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000886218508 627122528 /nfs/dbraw/zinc/12/25/28/627122528.db2.gz XIEPIOLCGIOTRT-UYAOXDASSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000886218508 627122530 /nfs/dbraw/zinc/12/25/30/627122530.db2.gz XIEPIOLCGIOTRT-UYAOXDASSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000886221237 627123064 /nfs/dbraw/zinc/12/30/64/627123064.db2.gz WCIKWZZWYMCEBY-QUCCMNQESA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000886221237 627123068 /nfs/dbraw/zinc/12/30/68/627123068.db2.gz WCIKWZZWYMCEBY-QUCCMNQESA-N 2 1 316.489 3.257 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000886225796 627123898 /nfs/dbraw/zinc/12/38/98/627123898.db2.gz BXTNTGSEQGOMFC-UXHICEINSA-N 2 1 314.473 3.198 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000886493322 627152794 /nfs/dbraw/zinc/15/27/94/627152794.db2.gz DRLWMFOMPMBBPS-UHFFFAOYSA-N 2 1 307.526 3.249 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000886504163 627153915 /nfs/dbraw/zinc/15/39/15/627153915.db2.gz TVCRVFIGBSKFIL-FUHWJXTLSA-N 2 1 306.498 3.219 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000886503838 627153980 /nfs/dbraw/zinc/15/39/80/627153980.db2.gz HNQDQGRDTGWQKP-AEFFLSMTSA-N 2 1 306.498 3.361 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000886503840 627154151 /nfs/dbraw/zinc/15/41/51/627154151.db2.gz HNQDQGRDTGWQKP-SJLPKXTDSA-N 2 1 306.498 3.361 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000886534841 627158793 /nfs/dbraw/zinc/15/87/93/627158793.db2.gz PLXUDRZJXKBAPJ-TXQGORRRSA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000886534841 627158795 /nfs/dbraw/zinc/15/87/95/627158795.db2.gz PLXUDRZJXKBAPJ-TXQGORRRSA-N 2 1 307.526 3.103 20 0 DGADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886615832 627173640 /nfs/dbraw/zinc/17/36/40/627173640.db2.gz PAJGAZHJGJLLHT-KBPBESRZSA-N 2 1 301.356 3.246 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886615832 627173641 /nfs/dbraw/zinc/17/36/41/627173641.db2.gz PAJGAZHJGJLLHT-KBPBESRZSA-N 2 1 301.356 3.246 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886615832 627173643 /nfs/dbraw/zinc/17/36/43/627173643.db2.gz PAJGAZHJGJLLHT-KBPBESRZSA-N 2 1 301.356 3.246 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccnn1C ZINC000886648543 627179923 /nfs/dbraw/zinc/17/99/23/627179923.db2.gz XJRAPKQQCWTHNB-WNHJNPCNSA-N 2 1 324.472 3.124 20 0 DGADMP COc1cc(C)nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886664552 627183485 /nfs/dbraw/zinc/18/34/85/627183485.db2.gz PRKPFSQGPDXEJY-UHFFFAOYSA-N 2 1 314.433 3.118 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccccc3F)CC2)[nH+]c1C ZINC000886667842 627184767 /nfs/dbraw/zinc/18/47/67/627184767.db2.gz JDDULEPWXFKSAR-KRWDZBQOSA-N 2 1 317.408 3.079 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000886692180 627192382 /nfs/dbraw/zinc/19/23/82/627192382.db2.gz UEEYYMWDDOXQQH-OAHLLOKOSA-N 2 1 318.490 3.072 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000886692180 627192385 /nfs/dbraw/zinc/19/23/85/627192385.db2.gz UEEYYMWDDOXQQH-OAHLLOKOSA-N 2 1 318.490 3.072 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850405 627429579 /nfs/dbraw/zinc/42/95/79/627429579.db2.gz MRTBKBLZXBSUHC-VQIMIIECSA-N 2 1 315.461 3.416 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850405 627429580 /nfs/dbraw/zinc/42/95/80/627429580.db2.gz MRTBKBLZXBSUHC-VQIMIIECSA-N 2 1 315.461 3.416 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)Cc1ccccc1 ZINC000924579900 627651734 /nfs/dbraw/zinc/65/17/34/627651734.db2.gz NEUSZXZGZDNXNF-UXHICEINSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924598763 627654585 /nfs/dbraw/zinc/65/45/85/627654585.db2.gz FYOPIGYWMCZTIV-IEBWSBKVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924684897 627667028 /nfs/dbraw/zinc/66/70/28/627667028.db2.gz HBRXHNXHVKNQNC-QRQLOZEOSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924685651 627667386 /nfs/dbraw/zinc/66/73/86/627667386.db2.gz OYZOMTOGIHXUMH-FCEWJHQRSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924689587 627667695 /nfs/dbraw/zinc/66/76/95/627667695.db2.gz YSOYPSNUSZOHIR-NEWSRXKRSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924687959 627667787 /nfs/dbraw/zinc/66/77/87/627667787.db2.gz YANPUWZSVBAEON-UKBAYJJMSA-N 2 1 308.510 3.149 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000924783786 627679280 /nfs/dbraw/zinc/67/92/80/627679280.db2.gz YNCVWGIQYVDVOR-QDSUGMFFSA-N 2 1 314.473 3.084 20 0 DGADMP CC[C@](C)(O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924993824 627700294 /nfs/dbraw/zinc/70/02/94/627700294.db2.gz RDRKHKYYOMLRQO-NXEWRWPSSA-N 2 1 316.489 3.323 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000925057626 627704831 /nfs/dbraw/zinc/70/48/31/627704831.db2.gz SGIMYYPECFISFD-ZSYWTGECSA-N 2 1 320.521 3.434 20 0 DGADMP Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925083985 627706672 /nfs/dbraw/zinc/70/66/72/627706672.db2.gz RJNAPLINHKTQHU-IBGZPJMESA-N 2 1 316.493 3.263 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC[N@@H+]1C ZINC000925140522 627712761 /nfs/dbraw/zinc/71/27/61/627712761.db2.gz JWEDKOIFVCVKIB-DUXKGJEZSA-N 2 1 323.484 3.308 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC[N@H+]1C ZINC000925140522 627712764 /nfs/dbraw/zinc/71/27/64/627712764.db2.gz JWEDKOIFVCVKIB-DUXKGJEZSA-N 2 1 323.484 3.308 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925516316 627745706 /nfs/dbraw/zinc/74/57/06/627745706.db2.gz RZWXAUIISMQRQS-VHDGCEQUSA-N 2 1 310.388 3.154 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925547446 627751874 /nfs/dbraw/zinc/75/18/74/627751874.db2.gz VMMMKZVVBNYANP-IBGZPJMESA-N 2 1 315.505 3.291 20 0 DGADMP Cc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)o1 ZINC000925556608 627753604 /nfs/dbraw/zinc/75/36/04/627753604.db2.gz KSFMSQMOOWYWAW-IKGGRYGDSA-N 2 1 319.493 3.221 20 0 DGADMP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)Cc1nc2c(s1)CCCC2 ZINC000925567553 627755751 /nfs/dbraw/zinc/75/57/51/627755751.db2.gz PHCVMKDVCIYELU-INIZCTEOSA-N 2 1 319.518 3.219 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)C12CCC2 ZINC000925607561 627762265 /nfs/dbraw/zinc/76/22/65/627762265.db2.gz VVOXQTNNQSPHPA-ZWKOTPCHSA-N 2 1 323.440 3.020 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925612314 627762639 /nfs/dbraw/zinc/76/26/39/627762639.db2.gz JJIWQBMOCTZTBK-MSOLQXFVSA-N 2 1 317.477 3.127 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925612315 627762938 /nfs/dbraw/zinc/76/29/38/627762938.db2.gz JJIWQBMOCTZTBK-QZTJIDSGSA-N 2 1 317.477 3.127 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616159 627763431 /nfs/dbraw/zinc/76/34/31/627763431.db2.gz KJZMYKQKRDXLLS-QUCCMNQESA-N 3 1 317.521 3.424 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620928 627764451 /nfs/dbraw/zinc/76/44/51/627764451.db2.gz DRDHKAXQHNUHGK-BHIYHBOVSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H](CCN[C@@H]2CC[NH2+]C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000925620928 627764452 /nfs/dbraw/zinc/76/44/52/627764452.db2.gz DRDHKAXQHNUHGK-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H](CCN[C@@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925620928 627764455 /nfs/dbraw/zinc/76/44/55/627764455.db2.gz DRDHKAXQHNUHGK-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP CCCCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(C)n1 ZINC000925632306 627765365 /nfs/dbraw/zinc/76/53/65/627765365.db2.gz WJXYGZOMFMNQSV-RBUKOAKNSA-N 2 1 318.509 3.250 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631745 627765787 /nfs/dbraw/zinc/76/57/87/627765787.db2.gz JHAHRHKNSUFEPX-MWDXBVQZSA-N 3 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631745 627765789 /nfs/dbraw/zinc/76/57/89/627765789.db2.gz JHAHRHKNSUFEPX-MWDXBVQZSA-N 2 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631745 627765790 /nfs/dbraw/zinc/76/57/90/627765790.db2.gz JHAHRHKNSUFEPX-MWDXBVQZSA-N 2 1 307.526 3.135 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925641328 627768582 /nfs/dbraw/zinc/76/85/82/627768582.db2.gz XLUWLBCXJWMYRV-HRCADAONSA-N 2 1 304.482 3.337 20 0 DGADMP C[C@H]([NH3+])[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925655882 627771243 /nfs/dbraw/zinc/77/12/43/627771243.db2.gz XGRFJYGNSXUWGD-HFSMHLIXSA-N 2 1 323.484 3.187 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C12CCC2 ZINC000925669115 627773916 /nfs/dbraw/zinc/77/39/16/627773916.db2.gz PDFPDGAJGTWPQP-LWYYNNOASA-N 2 1 322.452 3.321 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)C12CCC2 ZINC000925670144 627773959 /nfs/dbraw/zinc/77/39/59/627773959.db2.gz ITDAJROTJXACIG-RTBURBONSA-N 2 1 323.440 3.020 20 0 DGADMP Clc1cccc(CC2([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)c1 ZINC000925687221 627776483 /nfs/dbraw/zinc/77/64/83/627776483.db2.gz GKPFHQKJCJQRHL-XSIBGMEISA-N 2 1 302.849 3.001 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccnc2)cc1 ZINC000925709651 627779868 /nfs/dbraw/zinc/77/98/68/627779868.db2.gz PDNHCZOIYULTSH-HXUWFJFHSA-N 2 1 307.441 3.331 20 0 DGADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[N@H+]1CC[C@@H](Oc3cccc(Cl)c3)C1)[NH2+]2 ZINC000925722676 627781805 /nfs/dbraw/zinc/78/18/05/627781805.db2.gz IYCOLTZFEVVSSG-VUBKXWDLSA-N 2 1 320.864 3.322 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000925741757 627785900 /nfs/dbraw/zinc/78/59/00/627785900.db2.gz MHIRGCQRBHQHKP-IPMKNSEASA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000925741757 627785904 /nfs/dbraw/zinc/78/59/04/627785904.db2.gz MHIRGCQRBHQHKP-IPMKNSEASA-N 3 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000925741757 627785906 /nfs/dbraw/zinc/78/59/06/627785906.db2.gz MHIRGCQRBHQHKP-IPMKNSEASA-N 3 1 315.505 3.004 20 0 DGADMP Cc1ccc2c(c1)[C@H](N1CCc3sc(CN)nc3C1)[C@H](C)C2 ZINC000925746464 627786059 /nfs/dbraw/zinc/78/60/59/627786059.db2.gz BYYJJECXDRBTKM-KZULUSFZSA-N 2 1 313.470 3.202 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000925757967 627789925 /nfs/dbraw/zinc/78/99/25/627789925.db2.gz YBQMBHIOYRIGNW-INIZCTEOSA-N 2 1 312.461 3.196 20 0 DGADMP Brc1ccc2oc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2c1 ZINC000925760582 627790378 /nfs/dbraw/zinc/79/03/78/627790378.db2.gz YRWXWSDBYYMLGQ-ZDUSSCGKSA-N 2 1 323.234 3.427 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@H]1CCCOC1 ZINC000925770436 627792107 /nfs/dbraw/zinc/79/21/07/627792107.db2.gz TXRYUJLRGMUWLF-ZSYWTGECSA-N 2 1 302.462 3.275 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)oc21 ZINC000925774997 627792978 /nfs/dbraw/zinc/79/29/78/627792978.db2.gz BPNKUTPVXYNDOX-AAEUAGOBSA-N 2 1 324.371 3.337 20 0 DGADMP Cc1ccc([C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793572 627796107 /nfs/dbraw/zinc/79/61/07/627796107.db2.gz FNPKPSPUPJSJAY-MOPGFXCFSA-N 2 1 314.473 3.194 20 0 DGADMP Cc1ccc([C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793575 627796263 /nfs/dbraw/zinc/79/62/63/627796263.db2.gz FNPKPSPUPJSJAY-RTBURBONSA-N 2 1 314.473 3.194 20 0 DGADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)n1)CCCC2 ZINC000925807490 627798530 /nfs/dbraw/zinc/79/85/30/627798530.db2.gz VIHJIEQPCLYXIE-IPMKNSEASA-N 2 1 313.489 3.361 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])o1 ZINC000925838253 627803254 /nfs/dbraw/zinc/80/32/54/627803254.db2.gz KPDGLSQCYWSPNQ-UGSOOPFHSA-N 2 1 309.413 3.357 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCN3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000925837595 627803460 /nfs/dbraw/zinc/80/34/60/627803460.db2.gz RCCAPANHQPDAEV-UXHICEINSA-N 2 1 321.468 3.132 20 0 DGADMP c1ccc([C@H](CC2CC2)[NH2+]CCCCC[NH+]2CCNCC2)cc1 ZINC000925845253 627805034 /nfs/dbraw/zinc/80/50/34/627805034.db2.gz OUDZIVCFMYYTGN-FQEVSTJZSA-N 2 1 315.505 3.193 20 0 DGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccccc1Cl ZINC000925848745 627805701 /nfs/dbraw/zinc/80/57/01/627805701.db2.gz JZLVPAKDJNEUJM-OAHLLOKOSA-N 2 1 309.885 3.066 20 0 DGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(Cl)c1 ZINC000925849239 627805979 /nfs/dbraw/zinc/80/59/79/627805979.db2.gz NKAUEGQFYDBILS-OAHLLOKOSA-N 2 1 309.885 3.066 20 0 DGADMP C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120231 627847593 /nfs/dbraw/zinc/84/75/93/627847593.db2.gz WCTKIVSCGIKDGY-KBQURWBOSA-N 2 1 306.494 3.187 20 0 DGADMP C[C@@H](O)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926316897 627878496 /nfs/dbraw/zinc/87/84/96/627878496.db2.gz YLXOUJVVEYXEEJ-VOBGVNJCSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926459705 627898863 /nfs/dbraw/zinc/89/88/63/627898863.db2.gz XLCVBDZRNZNQHA-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926468577 627900213 /nfs/dbraw/zinc/90/02/13/627900213.db2.gz HVPBDIMTGAOKCT-MNIJEXPFSA-N 2 1 314.473 3.197 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926501301 627905226 /nfs/dbraw/zinc/90/52/26/627905226.db2.gz JNAKADUDTPYTKF-MUYFXNHWSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685585 627932479 /nfs/dbraw/zinc/93/24/79/627932479.db2.gz YFJIBIQVOAVZRN-MAUKXSAKSA-N 2 1 303.494 3.272 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926685585 627932480 /nfs/dbraw/zinc/93/24/80/627932480.db2.gz YFJIBIQVOAVZRN-MAUKXSAKSA-N 2 1 303.494 3.272 20 0 DGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926708043 627937313 /nfs/dbraw/zinc/93/73/13/627937313.db2.gz XVWDOGVHGFRVQW-SCTDSRPQSA-N 2 1 308.510 3.314 20 0 DGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926708043 627937315 /nfs/dbraw/zinc/93/73/15/627937315.db2.gz XVWDOGVHGFRVQW-SCTDSRPQSA-N 2 1 308.510 3.314 20 0 DGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926708042 627937357 /nfs/dbraw/zinc/93/73/57/627937357.db2.gz XVWDOGVHGFRVQW-LNLFQRSKSA-N 2 1 308.510 3.314 20 0 DGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926708042 627937363 /nfs/dbraw/zinc/93/73/63/627937363.db2.gz XVWDOGVHGFRVQW-LNLFQRSKSA-N 2 1 308.510 3.314 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926754599 627947253 /nfs/dbraw/zinc/94/72/53/627947253.db2.gz PRDGPNULOACMBD-LMMKCTJWSA-N 2 1 301.478 3.114 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926754607 627947605 /nfs/dbraw/zinc/94/76/05/627947605.db2.gz PRDGPNULOACMBD-ZIFCJYIRSA-N 2 1 301.478 3.114 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000817897401 627955276 /nfs/dbraw/zinc/95/52/76/627955276.db2.gz NUOHUUHMLFBBQD-CVEARBPZSA-N 2 1 310.445 3.122 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897868 627955336 /nfs/dbraw/zinc/95/53/36/627955336.db2.gz XHECWVQBMNHCSS-YQVWRLOYSA-N 2 1 301.478 3.084 20 0 DGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817914270 627960367 /nfs/dbraw/zinc/96/03/67/627960367.db2.gz XPPUJKTUZRPUMN-MPESAESLSA-N 2 1 302.443 3.295 20 0 DGADMP C[C@H]([NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21)C1C[NH2+]C1 ZINC000817927015 627964271 /nfs/dbraw/zinc/96/42/71/627964271.db2.gz XPUNFIALOZGSEW-UFBFGSQYSA-N 2 1 301.217 3.015 20 0 DGADMP COCc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)ccc1OC ZINC000817934993 627966918 /nfs/dbraw/zinc/96/69/18/627966918.db2.gz DNRJXEUGIXEGPI-AWEZNQCLSA-N 2 1 306.450 3.154 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cnn1-c1ccccc1 ZINC000817952861 627972678 /nfs/dbraw/zinc/97/26/78/627972678.db2.gz IGVHGYNIOBBWLC-OAHLLOKOSA-N 2 1 300.450 3.219 20 0 DGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC ZINC000817960373 627976098 /nfs/dbraw/zinc/97/60/98/627976098.db2.gz YJULWPJGMJETRH-MAUKXSAKSA-N 3 1 321.509 3.171 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1SC(F)F ZINC000817978028 627981871 /nfs/dbraw/zinc/98/18/71/627981871.db2.gz UDELQNUZFCOMEC-UTLUCORTSA-N 2 1 304.406 3.396 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000927019945 627998685 /nfs/dbraw/zinc/99/86/85/627998685.db2.gz UYDFOFMBPSLLIQ-KDOFPFPSSA-N 2 1 301.434 3.382 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000818341394 628015656 /nfs/dbraw/zinc/01/56/56/628015656.db2.gz ZNUXJKOCCKSAHD-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]CCCCCCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000818341394 628015659 /nfs/dbraw/zinc/01/56/59/628015659.db2.gz ZNUXJKOCCKSAHD-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]CCCCCCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000818341394 628015662 /nfs/dbraw/zinc/01/56/62/628015662.db2.gz ZNUXJKOCCKSAHD-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc2ccccc21 ZINC000818959314 628067662 /nfs/dbraw/zinc/06/76/62/628067662.db2.gz HYZABLAWQHPUKB-AABGKKOBSA-N 2 1 310.441 3.090 20 0 DGADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc2ccccc21 ZINC000818959314 628067663 /nfs/dbraw/zinc/06/76/63/628067663.db2.gz HYZABLAWQHPUKB-AABGKKOBSA-N 2 1 310.441 3.090 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819275124 628125484 /nfs/dbraw/zinc/12/54/84/628125484.db2.gz RFGHQDAIWZSTSL-FPOVZHCZSA-N 2 1 324.468 3.140 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820810594 628299735 /nfs/dbraw/zinc/29/97/35/628299735.db2.gz AEIDWTJPQAZMNP-INIZCTEOSA-N 3 1 314.477 3.384 20 0 DGADMP Cc1ccccc1C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccco1 ZINC000820842162 628303728 /nfs/dbraw/zinc/30/37/28/628303728.db2.gz RKVBNOTZZJFBQR-GOSISDBHSA-N 2 1 309.413 3.438 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000824332150 628652128 /nfs/dbraw/zinc/65/21/28/628652128.db2.gz FMYFHTQFYRHDBW-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP CN(CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000827930223 629004816 /nfs/dbraw/zinc/00/48/16/629004816.db2.gz IGTVMNZAUFEGCF-FQEVSTJZSA-N 2 1 315.505 3.463 20 0 DGADMP CS[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000830883281 629315074 /nfs/dbraw/zinc/31/50/74/629315074.db2.gz FGILSLLIYOJBKR-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP CS[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](SC)C2)C1 ZINC000830883281 629315076 /nfs/dbraw/zinc/31/50/76/629315076.db2.gz FGILSLLIYOJBKR-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP CS[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](SC)C2)C1 ZINC000830883281 629315079 /nfs/dbraw/zinc/31/50/79/629315079.db2.gz FGILSLLIYOJBKR-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000834585096 629735187 /nfs/dbraw/zinc/73/51/87/629735187.db2.gz FXMBKFJZRJKNFJ-SJORKVTESA-N 2 1 308.491 3.432 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC000834902250 629803713 /nfs/dbraw/zinc/80/37/13/629803713.db2.gz DAWOMLSNYVXHJM-DYDDAFRHSA-N 2 1 300.446 3.156 20 0 DGADMP COc1cccc2cc(C[NH2+]CCCC[N@@H+](C)C3CC3)oc21 ZINC000835062905 629841477 /nfs/dbraw/zinc/84/14/77/629841477.db2.gz STAWVXZGUZMPIN-UHFFFAOYSA-N 2 1 302.418 3.405 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841008727 630394732 /nfs/dbraw/zinc/39/47/32/630394732.db2.gz BCXYOEGEHLKBDY-KSZLIROESA-N 2 1 308.441 3.087 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841008727 630394735 /nfs/dbraw/zinc/39/47/35/630394735.db2.gz BCXYOEGEHLKBDY-KSZLIROESA-N 2 1 308.441 3.087 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841008726 630395063 /nfs/dbraw/zinc/39/50/63/630395063.db2.gz BCXYOEGEHLKBDY-BZSNNMDCSA-N 2 1 308.441 3.087 20 0 DGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841008726 630395067 /nfs/dbraw/zinc/39/50/67/630395067.db2.gz BCXYOEGEHLKBDY-BZSNNMDCSA-N 2 1 308.441 3.087 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)oc21 ZINC000841039221 630400304 /nfs/dbraw/zinc/40/03/04/630400304.db2.gz GAEKVTIOFQHHII-INIZCTEOSA-N 2 1 302.418 3.439 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c(Cl)nc21 ZINC000841055768 630403235 /nfs/dbraw/zinc/40/32/35/630403235.db2.gz WDTUNCBXZOWWNG-KBPBESRZSA-N 2 1 321.856 3.025 20 0 DGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(C)c1OC(F)F ZINC000841087172 630406099 /nfs/dbraw/zinc/40/60/99/630406099.db2.gz JSNWXTHGJZDLKK-CYBMUJFWSA-N 2 1 300.393 3.368 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC1(C)C ZINC000841756824 630462891 /nfs/dbraw/zinc/46/28/91/630462891.db2.gz AMGBKXCRMXESRV-SQNIBIBYSA-N 2 1 308.510 3.434 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000842476749 630540292 /nfs/dbraw/zinc/54/02/92/630540292.db2.gz UTLFTZFXPXYWSF-IBGZPJMESA-N 2 1 304.478 3.229 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOC3CCC3)CC23CC3)cc1 ZINC000842684961 630562955 /nfs/dbraw/zinc/56/29/55/630562955.db2.gz NMXSVMRQHKFHDV-SFHVURJKSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCOC3CCC3)CC23CC3)cc1 ZINC000842684961 630562957 /nfs/dbraw/zinc/56/29/57/630562957.db2.gz NMXSVMRQHKFHDV-SFHVURJKSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCOC3CCC3)CC23CC3)cc1 ZINC000842684960 630563130 /nfs/dbraw/zinc/56/31/30/630563130.db2.gz NMXSVMRQHKFHDV-GOSISDBHSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCOC3CCC3)CC23CC3)cc1 ZINC000842684960 630563133 /nfs/dbraw/zinc/56/31/33/630563133.db2.gz NMXSVMRQHKFHDV-GOSISDBHSA-N 2 1 314.473 3.342 20 0 DGADMP OCCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842698345 630565257 /nfs/dbraw/zinc/56/52/57/630565257.db2.gz CHYHDCXIBQGJOS-LJQANCHMSA-N 2 1 316.489 3.326 20 0 DGADMP OCCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842698345 630565260 /nfs/dbraw/zinc/56/52/60/630565260.db2.gz CHYHDCXIBQGJOS-LJQANCHMSA-N 2 1 316.489 3.326 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000842762727 630573481 /nfs/dbraw/zinc/57/34/81/630573481.db2.gz IOMLAHGDIZGXRC-RNQOJCNYSA-N 2 1 316.489 3.127 20 0 DGADMP CCC[N@@H+](Cc1cc2cccc(OC)c2o1)C1CC[NH2+]CC1 ZINC000843045237 630607440 /nfs/dbraw/zinc/60/74/40/630607440.db2.gz RWLWCYFBIFAKMA-UHFFFAOYSA-N 2 1 302.418 3.405 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000843048356 630608039 /nfs/dbraw/zinc/60/80/39/630608039.db2.gz KNHNBYBYTPRJSJ-QGZVFWFLSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000843048356 630608040 /nfs/dbraw/zinc/60/80/40/630608040.db2.gz KNHNBYBYTPRJSJ-QGZVFWFLSA-N 2 1 320.477 3.435 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000843052605 630609074 /nfs/dbraw/zinc/60/90/74/630609074.db2.gz AFRCXBFTTIZUMY-AYHJJNSGSA-N 2 1 300.446 3.320 20 0 DGADMP Clc1ccc(OC[C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000843113887 630615271 /nfs/dbraw/zinc/61/52/71/630615271.db2.gz ATKYDPXXGYDHPN-HOCLYGCPSA-N 2 1 308.853 3.183 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)oc21 ZINC000843119879 630615605 /nfs/dbraw/zinc/61/56/05/630615605.db2.gz JJZDAKSKEHCVRB-UHFFFAOYSA-N 2 1 300.402 3.017 20 0 DGADMP FC(F)(F)c1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000843119151 630615640 /nfs/dbraw/zinc/61/56/40/630615640.db2.gz HFGDHPJUIBPDPJ-HIFRSBDPSA-N 2 1 312.379 3.494 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)oc21 ZINC000843122264 630615792 /nfs/dbraw/zinc/61/57/92/630615792.db2.gz ASZMYLFPDHYPNA-GOSISDBHSA-N 2 1 300.402 3.017 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)oc21 ZINC000843122264 630615794 /nfs/dbraw/zinc/61/57/94/630615794.db2.gz ASZMYLFPDHYPNA-GOSISDBHSA-N 2 1 300.402 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000843126470 630616508 /nfs/dbraw/zinc/61/65/08/630616508.db2.gz GLGVYFQYPXRSDV-HKUYNNGSSA-N 3 1 303.494 3.148 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000843126470 630616509 /nfs/dbraw/zinc/61/65/09/630616509.db2.gz GLGVYFQYPXRSDV-HKUYNNGSSA-N 3 1 303.494 3.148 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cnc1Cl ZINC000843128427 630617014 /nfs/dbraw/zinc/61/70/14/630617014.db2.gz XKYGZAKWWSUNTP-CVEARBPZSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cnc1Cl ZINC000843128433 630617217 /nfs/dbraw/zinc/61/72/17/630617217.db2.gz XKYGZAKWWSUNTP-HZPDHXFCSA-N 2 1 307.869 3.255 20 0 DGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843343881 630647639 /nfs/dbraw/zinc/64/76/39/630647639.db2.gz JSFJZHNIYFMOHK-GOSISDBHSA-N 2 1 317.521 3.191 20 0 DGADMP CC(C)C[N@@H+](CCC1CC[NH2+]CC1)C[C@H](O)c1ccc(F)cc1 ZINC000843358889 630649096 /nfs/dbraw/zinc/64/90/96/630649096.db2.gz AUVJJLRTRSEWKT-IBGZPJMESA-N 2 1 322.468 3.207 20 0 DGADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844221211 630712720 /nfs/dbraw/zinc/71/27/20/630712720.db2.gz KKPOIXIBAZUYAT-LJQANCHMSA-N 2 1 303.494 3.102 20 0 DGADMP [NH3+]CCCCCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000844221174 630712740 /nfs/dbraw/zinc/71/27/40/630712740.db2.gz ADBUFYRUSMUYFR-UHFFFAOYSA-N 2 1 309.542 3.484 20 0 DGADMP C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C1CCC([NH3+])CC1 ZINC000844221104 630712793 /nfs/dbraw/zinc/71/27/93/630712793.db2.gz UVYNVRSYUAHDII-UHFFFAOYSA-N 2 1 303.381 3.182 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000844902797 630973141 /nfs/dbraw/zinc/97/31/41/630973141.db2.gz PUXIVKKPGPPHPC-UXIGCNINSA-N 2 1 314.882 3.120 20 0 DGADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846218527 631215408 /nfs/dbraw/zinc/21/54/08/631215408.db2.gz WTJGOORTVUZZKR-QGZVFWFLSA-N 2 1 306.450 3.360 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000846220753 631215669 /nfs/dbraw/zinc/21/56/69/631215669.db2.gz PIEWIKIJXNIXMG-UHFFFAOYSA-N 2 1 311.267 3.326 20 0 DGADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000846224363 631215760 /nfs/dbraw/zinc/21/57/60/631215760.db2.gz VQIRJXSDEUYKPM-MRXNPFEDSA-N 2 1 313.449 3.128 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000846224363 631215762 /nfs/dbraw/zinc/21/57/62/631215762.db2.gz VQIRJXSDEUYKPM-MRXNPFEDSA-N 2 1 313.449 3.128 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000848525281 631677027 /nfs/dbraw/zinc/67/70/27/631677027.db2.gz LKQSKWNNBCHALC-MRXNPFEDSA-N 2 1 316.493 3.480 20 0 DGADMP CC(C)c1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848547637 631688253 /nfs/dbraw/zinc/68/82/53/631688253.db2.gz RBUZNUSVVWORAK-SFHVURJKSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000848910603 631783384 /nfs/dbraw/zinc/78/33/84/631783384.db2.gz LEKMDRRXTNBJSC-UHFFFAOYSA-N 2 1 317.521 3.268 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1 ZINC000848985424 631797224 /nfs/dbraw/zinc/79/72/24/631797224.db2.gz YPORONVLTSMSSY-OAHLLOKOSA-N 2 1 314.477 3.085 20 0 DGADMP CC[N@@H+](CCCNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000849047106 631817414 /nfs/dbraw/zinc/81/74/14/631817414.db2.gz QMGZTKNIOGOYAY-UHFFFAOYSA-N 2 1 303.454 3.063 20 0 DGADMP CCCCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000849071604 631826468 /nfs/dbraw/zinc/82/64/68/631826468.db2.gz MISKXKYRSRQAMO-INIZCTEOSA-N 2 1 316.493 3.127 20 0 DGADMP CCCCCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000849071604 631826474 /nfs/dbraw/zinc/82/64/74/631826474.db2.gz MISKXKYRSRQAMO-INIZCTEOSA-N 2 1 316.493 3.127 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000849096686 631833346 /nfs/dbraw/zinc/83/33/46/631833346.db2.gz JJSXTHSBQYDJOL-CABCVRRESA-N 2 1 302.466 3.478 20 0 DGADMP CCc1ccc([C@H](CNC(=[NH2+])NC(C)C)[NH+](CC)CC)cc1 ZINC000849103002 631835587 /nfs/dbraw/zinc/83/55/87/631835587.db2.gz AKPUKMGPYGSZJN-KRWDZBQOSA-N 2 1 304.482 3.154 20 0 DGADMP CCc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+](CC)CC)cc1 ZINC000849103652 631837180 /nfs/dbraw/zinc/83/71/80/631837180.db2.gz VSWUFNSUVFJTNT-SFHVURJKSA-N 2 1 316.493 3.250 20 0 DGADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCCCCC1 ZINC000849105897 631837324 /nfs/dbraw/zinc/83/73/24/631837324.db2.gz HTOZSJQQSUNYRC-QGZVFWFLSA-N 2 1 306.498 3.184 20 0 DGADMP CCOC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000850426015 632149485 /nfs/dbraw/zinc/14/94/85/632149485.db2.gz RQAKKYGUMPHITO-UHFFFAOYSA-N 2 1 314.433 3.013 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850433990 632151848 /nfs/dbraw/zinc/15/18/48/632151848.db2.gz SZGHJPAQIQGQKL-FGTMMUONSA-N 2 1 322.880 3.114 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850433990 632151851 /nfs/dbraw/zinc/15/18/51/632151851.db2.gz SZGHJPAQIQGQKL-FGTMMUONSA-N 2 1 322.880 3.114 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2COC3(CCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000850467656 632161620 /nfs/dbraw/zinc/16/16/20/632161620.db2.gz ZGUMBUCBGYLQEE-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2CCCn3nccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000850466211 632161920 /nfs/dbraw/zinc/16/19/20/632161920.db2.gz JLQKJUYYBZHUSM-QUCCMNQESA-N 2 1 324.472 3.220 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2CCCn3nccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000850466211 632161921 /nfs/dbraw/zinc/16/19/21/632161921.db2.gz JLQKJUYYBZHUSM-QUCCMNQESA-N 2 1 324.472 3.220 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2COC3(CCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000850467655 632161974 /nfs/dbraw/zinc/16/19/74/632161974.db2.gz ZGUMBUCBGYLQEE-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CCCCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850506470 632174187 /nfs/dbraw/zinc/17/41/87/632174187.db2.gz DKKJGKSPQCMQDM-LPHOPBHVSA-N 2 1 304.478 3.312 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000850516578 632177379 /nfs/dbraw/zinc/17/73/79/632177379.db2.gz MTNAAEQLLSRVAT-YSSFQJQWSA-N 2 1 312.457 3.193 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000850575521 632200195 /nfs/dbraw/zinc/20/01/95/632200195.db2.gz XUXLCARPPOQKHC-MSOLQXFVSA-N 2 1 324.896 3.472 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851774690 632490185 /nfs/dbraw/zinc/49/01/85/632490185.db2.gz ZNMHAKYQKHTMJG-KZNAEPCWSA-N 2 1 324.509 3.114 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851774690 632490194 /nfs/dbraw/zinc/49/01/94/632490194.db2.gz ZNMHAKYQKHTMJG-KZNAEPCWSA-N 2 1 324.509 3.114 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851774690 632490200 /nfs/dbraw/zinc/49/02/00/632490200.db2.gz ZNMHAKYQKHTMJG-KZNAEPCWSA-N 2 1 324.509 3.114 20 0 DGADMP CO[C@@H]1CC[C@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000851889472 632514841 /nfs/dbraw/zinc/51/48/41/632514841.db2.gz KAZZJVUWXMCOKG-RBUKOAKNSA-N 2 1 317.477 3.187 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1csc2ccccc21 ZINC000851930818 632524444 /nfs/dbraw/zinc/52/44/44/632524444.db2.gz CZMJZQSXXZAKHR-KGLIPLIRSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1csc2ccccc21 ZINC000851930818 632524446 /nfs/dbraw/zinc/52/44/46/632524446.db2.gz CZMJZQSXXZAKHR-KGLIPLIRSA-N 2 1 306.475 3.253 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](NCC=C(Cl)Cl)[C@@H](C)C1 ZINC000851947255 632528032 /nfs/dbraw/zinc/52/80/32/632528032.db2.gz PKNSTVGJIMXCAQ-STQMWFEESA-N 2 1 309.281 3.032 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000852040525 632543714 /nfs/dbraw/zinc/54/37/14/632543714.db2.gz LVIBTAXAGDRKBI-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040525 632543716 /nfs/dbraw/zinc/54/37/16/632543716.db2.gz LVIBTAXAGDRKBI-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040525 632543719 /nfs/dbraw/zinc/54/37/19/632543719.db2.gz LVIBTAXAGDRKBI-VAMGGRTRSA-N 2 1 314.473 3.152 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1cccc3ccccc31)C2 ZINC000852106877 632556465 /nfs/dbraw/zinc/55/64/65/632556465.db2.gz FNYYOAAWTKFBMO-LEWJYISDSA-N 2 1 324.468 3.291 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1cccc3ccccc31)C2 ZINC000852106877 632556469 /nfs/dbraw/zinc/55/64/69/632556469.db2.gz FNYYOAAWTKFBMO-LEWJYISDSA-N 2 1 324.468 3.291 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1cccc3ccccc31)C2 ZINC000852106877 632556470 /nfs/dbraw/zinc/55/64/70/632556470.db2.gz FNYYOAAWTKFBMO-LEWJYISDSA-N 2 1 324.468 3.291 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000703017970 660755355 /nfs/dbraw/zinc/75/53/55/660755355.db2.gz OVEZXEFQJCJIMB-VHBXLISGSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000703017970 660755356 /nfs/dbraw/zinc/75/53/56/660755356.db2.gz OVEZXEFQJCJIMB-VHBXLISGSA-N 2 1 316.489 3.323 20 0 DGADMP C[NH+]1CCC(C[N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC000707894615 660915329 /nfs/dbraw/zinc/91/53/29/660915329.db2.gz TURIMGRHCLEVGJ-UHFFFAOYSA-N 2 1 309.251 3.107 20 0 DGADMP C[NH+]1CCC(C[N@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC000707894615 660915331 /nfs/dbraw/zinc/91/53/31/660915331.db2.gz TURIMGRHCLEVGJ-UHFFFAOYSA-N 2 1 309.251 3.107 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000708514649 660924246 /nfs/dbraw/zinc/92/42/46/660924246.db2.gz UBJVMMDHWFAHMJ-WMLDXEAASA-N 2 1 315.486 3.309 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000708514649 660924249 /nfs/dbraw/zinc/92/42/49/660924249.db2.gz UBJVMMDHWFAHMJ-WMLDXEAASA-N 2 1 315.486 3.309 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792907994 660992956 /nfs/dbraw/zinc/99/29/56/660992956.db2.gz QLHJZFLJORCQEQ-HZSPNIEDSA-N 2 1 305.293 3.377 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792907994 660992957 /nfs/dbraw/zinc/99/29/57/660992957.db2.gz QLHJZFLJORCQEQ-HZSPNIEDSA-N 2 1 305.293 3.377 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792907994 660992958 /nfs/dbraw/zinc/99/29/58/660992958.db2.gz QLHJZFLJORCQEQ-HZSPNIEDSA-N 2 1 305.293 3.377 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792907994 660992961 /nfs/dbraw/zinc/99/29/61/660992961.db2.gz QLHJZFLJORCQEQ-HZSPNIEDSA-N 2 1 305.293 3.377 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+](CC(C)C)C[C@H](O)C[NH+]1CCCC1 ZINC000792928402 660994653 /nfs/dbraw/zinc/99/46/53/660994653.db2.gz VHHFCWQMCZEWRD-RBUKOAKNSA-N 2 1 318.505 3.471 20 0 DGADMP Cc1ccccc1[C@H](C)[N@@H+](CC(C)C)C[C@H](O)C[NH+]1CCCC1 ZINC000792928402 660994654 /nfs/dbraw/zinc/99/46/54/660994654.db2.gz VHHFCWQMCZEWRD-RBUKOAKNSA-N 2 1 318.505 3.471 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCCC1 ZINC000806130768 655584191 /nfs/dbraw/zinc/58/41/91/655584191.db2.gz DELXEEPPJLZNQO-ZFWWWQNUSA-N 2 1 307.869 3.434 20 0 DGADMP C[NH+](C)[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000795899625 661178032 /nfs/dbraw/zinc/17/80/32/661178032.db2.gz PLTUXSJPXRHSNG-GOSISDBHSA-N 2 1 324.509 3.020 20 0 DGADMP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000723670517 655715448 /nfs/dbraw/zinc/71/54/48/655715448.db2.gz UAHFAOABOXFNOC-QMMMGPOBSA-N 2 1 323.687 3.335 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000723670517 655715450 /nfs/dbraw/zinc/71/54/50/655715450.db2.gz UAHFAOABOXFNOC-QMMMGPOBSA-N 2 1 323.687 3.335 20 0 DGADMP C[C@H](CSC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247025631 655772267 /nfs/dbraw/zinc/77/22/67/655772267.db2.gz NEVNTPHQQLFHEL-OAGGEKHMSA-N 2 1 316.555 3.386 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000177968308 655951446 /nfs/dbraw/zinc/95/14/46/655951446.db2.gz HJDGZWHPMUMHMD-HNNXBMFYSA-N 2 1 322.522 3.106 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000177968308 655951447 /nfs/dbraw/zinc/95/14/47/655951447.db2.gz HJDGZWHPMUMHMD-HNNXBMFYSA-N 2 1 322.522 3.106 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000309748656 656050300 /nfs/dbraw/zinc/05/03/00/656050300.db2.gz VHVOAGZPOWJZTO-QZTJIDSGSA-N 2 1 304.503 3.384 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532358 656900163 /nfs/dbraw/zinc/90/01/63/656900163.db2.gz AHITXNBOEBIUNQ-SLFFLAALSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261532358 656900166 /nfs/dbraw/zinc/90/01/66/656900166.db2.gz AHITXNBOEBIUNQ-SLFFLAALSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532358 656900169 /nfs/dbraw/zinc/90/01/69/656900169.db2.gz AHITXNBOEBIUNQ-SLFFLAALSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261537726 656905687 /nfs/dbraw/zinc/90/56/87/656905687.db2.gz UCUZNGPPIZZKLO-UIFIKXQLSA-N 2 1 321.468 3.385 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344061 656940344 /nfs/dbraw/zinc/94/03/44/656940344.db2.gz RFXVJYLAPWUECG-YJBOKZPZSA-N 2 1 315.848 3.449 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3ccccc3nc1Cl)C2 ZINC000319344061 656940347 /nfs/dbraw/zinc/94/03/47/656940347.db2.gz RFXVJYLAPWUECG-YJBOKZPZSA-N 2 1 315.848 3.449 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(SC(F)(F)F)cc3)C[C@@H]12 ZINC000261807865 657109710 /nfs/dbraw/zinc/10/97/10/657109710.db2.gz ZIWCLDWZUJRXKB-MRVWCRGKSA-N 2 1 316.392 3.468 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251634781 657525386 /nfs/dbraw/zinc/52/53/86/657525386.db2.gz FPDCTUBCEBAUIO-GYSYKLTISA-N 2 1 302.340 3.315 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251885294 657549659 /nfs/dbraw/zinc/54/96/59/657549659.db2.gz VCRKSBANYXVNCQ-ZWNOBZJWSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251885294 657549704 /nfs/dbraw/zinc/54/97/04/657549704.db2.gz VCRKSBANYXVNCQ-ZWNOBZJWSA-N 2 1 304.381 3.468 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC)CC1 ZINC000964153040 658264637 /nfs/dbraw/zinc/26/46/37/658264637.db2.gz KQGJNFIEYOMXOU-ABHNRTSZSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000226538999 659125179 /nfs/dbraw/zinc/12/51/79/659125179.db2.gz ZMBTUIIIWDTWDY-GVXVVHGQSA-N 2 1 302.340 3.315 20 0 DGADMP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000227846922 659166534 /nfs/dbraw/zinc/16/65/34/659166534.db2.gz TYXMAMHQLSVCQM-ONGXEEELSA-N 2 1 317.296 3.391 20 0 DGADMP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000227846922 659166538 /nfs/dbraw/zinc/16/65/38/659166538.db2.gz TYXMAMHQLSVCQM-ONGXEEELSA-N 2 1 317.296 3.391 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCN1C ZINC000929782363 661337885 /nfs/dbraw/zinc/33/78/85/661337885.db2.gz MDGTVWWHLYMIKZ-RKTXRCNFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782363 661337886 /nfs/dbraw/zinc/33/78/86/661337886.db2.gz MDGTVWWHLYMIKZ-RKTXRCNFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782363 661337888 /nfs/dbraw/zinc/33/78/88/661337888.db2.gz MDGTVWWHLYMIKZ-RKTXRCNFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782363 661337889 /nfs/dbraw/zinc/33/78/89/661337889.db2.gz MDGTVWWHLYMIKZ-RKTXRCNFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782363 661337890 /nfs/dbraw/zinc/33/78/90/661337890.db2.gz MDGTVWWHLYMIKZ-RKTXRCNFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782363 661337892 /nfs/dbraw/zinc/33/78/92/661337892.db2.gz MDGTVWWHLYMIKZ-RKTXRCNFSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782363 661337894 /nfs/dbraw/zinc/33/78/94/661337894.db2.gz MDGTVWWHLYMIKZ-RKTXRCNFSA-N 2 1 308.416 3.450 20 0 DGADMP CCN1CC[C@H]([N@@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)C[C@@H]1C ZINC000929782512 661338099 /nfs/dbraw/zinc/33/80/99/661338099.db2.gz VVKXMVRINGDLCB-VYDXJSESSA-N 2 1 318.461 3.016 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000930001769 661357249 /nfs/dbraw/zinc/35/72/49/661357249.db2.gz WFBHHUSVGZYPLZ-AJNGGQMLSA-N 2 1 322.415 3.149 20 0 DGADMP COC/C(C)=C/C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000930346398 661391136 /nfs/dbraw/zinc/39/11/36/661391136.db2.gz DNOVXBUARQEIFI-DMVFFGLYSA-N 2 1 316.489 3.469 20 0 DGADMP COC/C(C)=C/C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000930346398 661391138 /nfs/dbraw/zinc/39/11/38/661391138.db2.gz DNOVXBUARQEIFI-DMVFFGLYSA-N 2 1 316.489 3.469 20 0 DGADMP COC/C(C)=C/C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460986 661400682 /nfs/dbraw/zinc/40/06/82/661400682.db2.gz MZBQSEBRBGBSMI-UIHGZKEASA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C/C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460986 661400685 /nfs/dbraw/zinc/40/06/85/661400685.db2.gz MZBQSEBRBGBSMI-UIHGZKEASA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C/C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930460986 661400686 /nfs/dbraw/zinc/40/06/86/661400686.db2.gz MZBQSEBRBGBSMI-UIHGZKEASA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C/C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930460986 661400689 /nfs/dbraw/zinc/40/06/89/661400689.db2.gz MZBQSEBRBGBSMI-UIHGZKEASA-N 2 1 314.473 3.177 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577611 661412574 /nfs/dbraw/zinc/41/25/74/661412574.db2.gz URIWWLHOYNHGCF-LJQANCHMSA-N 2 1 311.429 3.259 20 0 DGADMP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC000930613625 661415666 /nfs/dbraw/zinc/41/56/66/661415666.db2.gz JTYPLOVULMQSLK-UHFFFAOYSA-N 2 1 304.478 3.135 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000931352901 661469862 /nfs/dbraw/zinc/46/98/62/661469862.db2.gz UYXJDDHLKXPLDE-IBGZPJMESA-N 2 1 312.457 3.289 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000931356180 661470138 /nfs/dbraw/zinc/47/01/38/661470138.db2.gz GVFAPWMEHIQOLK-UHFFFAOYSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438471 661476666 /nfs/dbraw/zinc/47/66/66/661476666.db2.gz IAENSGLWTJNSGE-HYVNUMGLSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438471 661476668 /nfs/dbraw/zinc/47/66/68/661476668.db2.gz IAENSGLWTJNSGE-HYVNUMGLSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438471 661476670 /nfs/dbraw/zinc/47/66/70/661476670.db2.gz IAENSGLWTJNSGE-HYVNUMGLSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438471 661476672 /nfs/dbraw/zinc/47/66/72/661476672.db2.gz IAENSGLWTJNSGE-HYVNUMGLSA-N 2 1 311.429 3.286 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442446 661476706 /nfs/dbraw/zinc/47/67/06/661476706.db2.gz HNKILVMTXBSYKH-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442446 661476709 /nfs/dbraw/zinc/47/67/09/661476709.db2.gz HNKILVMTXBSYKH-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C[C@@H]2C1 ZINC000931442446 661476712 /nfs/dbraw/zinc/47/67/12/661476712.db2.gz HNKILVMTXBSYKH-WCIQWLHISA-N 2 1 314.473 3.180 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCCC3(CCC3)O2)CCN1c1cc[nH+]cc1 ZINC000931683208 661497661 /nfs/dbraw/zinc/49/76/61/661497661.db2.gz HPIGONXHXNAHCP-WMZOPIPTSA-N 2 1 315.461 3.084 20 0 DGADMP C[C@H](O)CCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933549084 661640485 /nfs/dbraw/zinc/64/04/85/661640485.db2.gz CWLMDYUXRYVPKB-SFHVURJKSA-N 2 1 316.489 3.235 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000192747906 662110165 /nfs/dbraw/zinc/11/01/65/662110165.db2.gz LVFZKCSUABIALF-OAHLLOKOSA-N 2 1 320.477 3.365 20 0 DGADMP C[NH+](CCCCCC[N@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000245843178 662242924 /nfs/dbraw/zinc/24/29/24/662242924.db2.gz IBJXOTLYLFBHDL-HOTGVXAUSA-N 2 1 316.580 3.421 20 0 DGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)[C@@H]2CCCC[C@@H]21 ZINC000246159528 662249165 /nfs/dbraw/zinc/24/91/65/662249165.db2.gz ADVOSNLNHIGTAQ-XWTMOSNGSA-N 2 1 308.510 3.028 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc3c(c2)CCO3)C1 ZINC000246920016 662291051 /nfs/dbraw/zinc/29/10/51/662291051.db2.gz GRDSXEPPGTYXFS-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCCC[NH3+] ZINC000382656545 685164716 /nfs/dbraw/zinc/16/47/16/685164716.db2.gz ARQNMGAGTIWVSE-SFHVURJKSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCCC[NH3+] ZINC000382656545 685164720 /nfs/dbraw/zinc/16/47/20/685164720.db2.gz ARQNMGAGTIWVSE-SFHVURJKSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCCC[NH3+] ZINC000382656545 685164725 /nfs/dbraw/zinc/16/47/25/685164725.db2.gz ARQNMGAGTIWVSE-SFHVURJKSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cccc(Br)c2Cl)CC[NH2+]C1 ZINC001576526444 1191838089 /nfs/dbraw/zinc/83/80/89/1191838089.db2.gz SFXHCPRZNRQLFR-CYBMUJFWSA-N 2 1 317.658 3.192 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC001576574630 1191846903 /nfs/dbraw/zinc/84/69/03/1191846903.db2.gz VMPRFOIKPPYUPY-XLMAVXFVSA-N 2 1 323.525 3.004 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC[NH2+]1 ZINC001576596753 1191850050 /nfs/dbraw/zinc/85/00/50/1191850050.db2.gz ARXSOURHEJDSBU-TVFCKZIOSA-N 2 1 320.477 3.336 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC[NH2+]1 ZINC001576596752 1191851681 /nfs/dbraw/zinc/85/16/81/1191851681.db2.gz ARXSOURHEJDSBU-BRSBDYLESA-N 2 1 320.477 3.336 20 0 DGADMP C[C@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC2(CC[NH2+]CC2)O1 ZINC001576799921 1191869742 /nfs/dbraw/zinc/86/97/42/1191869742.db2.gz DGOVNUVGIUFANW-GUYCJALGSA-N 2 1 320.864 3.170 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CC[C@H]1[NH3+] ZINC001576808340 1191870057 /nfs/dbraw/zinc/87/00/57/1191870057.db2.gz BCCDSJLESOTOJA-QMTHXVAHSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CC[C@H]1[NH3+] ZINC001576808340 1191870058 /nfs/dbraw/zinc/87/00/58/1191870058.db2.gz BCCDSJLESOTOJA-QMTHXVAHSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001576809259 1191870255 /nfs/dbraw/zinc/87/02/55/1191870255.db2.gz RHDUISFCBQDEES-WDEREUQCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001576809259 1191870257 /nfs/dbraw/zinc/87/02/57/1191870257.db2.gz RHDUISFCBQDEES-WDEREUQCSA-N 2 1 320.330 3.141 20 0 DGADMP C/C=C\C[C@@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC001576914413 1191875126 /nfs/dbraw/zinc/87/51/26/1191875126.db2.gz KELVJRZRAUWOEI-ZBPSDOBBSA-N 2 1 302.462 3.416 20 0 DGADMP CCC(CC)(C[NH3+])CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001577051846 1191881439 /nfs/dbraw/zinc/88/14/39/1191881439.db2.gz BVQPZQUYXQEDJA-IEBWSBKVSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001577051846 1191881441 /nfs/dbraw/zinc/88/14/41/1191881441.db2.gz BVQPZQUYXQEDJA-IEBWSBKVSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001577051846 1191881443 /nfs/dbraw/zinc/88/14/43/1191881443.db2.gz BVQPZQUYXQEDJA-IEBWSBKVSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001577051845 1191881559 /nfs/dbraw/zinc/88/15/59/1191881559.db2.gz BVQPZQUYXQEDJA-HKUYNNGSSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001577051845 1191881561 /nfs/dbraw/zinc/88/15/61/1191881561.db2.gz BVQPZQUYXQEDJA-HKUYNNGSSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001577051845 1191881562 /nfs/dbraw/zinc/88/15/62/1191881562.db2.gz BVQPZQUYXQEDJA-HKUYNNGSSA-N 3 1 317.521 3.109 20 0 DGADMP CC[C@@H]1C[N@@H+](C/C(C)=C\c2ccccc2COC)CC[C@H]1[NH3+] ZINC001577279734 1191891347 /nfs/dbraw/zinc/89/13/47/1191891347.db2.gz PAKOZUXWNQVHDY-CFIUCSMOSA-N 2 1 302.462 3.296 20 0 DGADMP CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001577312422 1191892924 /nfs/dbraw/zinc/89/29/24/1191892924.db2.gz DPDDTGXSVJATQN-WMLDXEAASA-N 2 1 318.461 3.013 20 0 DGADMP CCCCOc1cccc(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)c1 ZINC001577473434 1191903846 /nfs/dbraw/zinc/90/38/46/1191903846.db2.gz XXDOUGGQUCWNPX-ZDUSSCGKSA-N 2 1 304.356 3.235 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2(C[NH3+])CCC2)CC1)CC(C)C ZINC001577712955 1191913745 /nfs/dbraw/zinc/91/37/45/1191913745.db2.gz FVGKICMHRIHPEN-UHFFFAOYSA-N 3 1 309.542 3.195 20 0 DGADMP CC[N@H+](CCC1CC[NH+](CC2(CN)CCC2)CC1)CC(C)C ZINC001577712955 1191913754 /nfs/dbraw/zinc/91/37/54/1191913754.db2.gz FVGKICMHRIHPEN-UHFFFAOYSA-N 2 1 309.542 3.195 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2(CN)CCC2)CC1)CC(C)C ZINC001577712955 1191913757 /nfs/dbraw/zinc/91/37/57/1191913757.db2.gz FVGKICMHRIHPEN-UHFFFAOYSA-N 2 1 309.542 3.195 20 0 DGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)o1 ZINC001578255352 1191934817 /nfs/dbraw/zinc/93/48/17/1191934817.db2.gz REFGPXZBZFZBDN-PVAVHDDUSA-N 2 1 318.461 3.136 20 0 DGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001578423072 1191942954 /nfs/dbraw/zinc/94/29/54/1191942954.db2.gz ONVWGAHGZCYZEZ-GFCCVEGCSA-N 2 1 316.276 3.291 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001578656003 1191950827 /nfs/dbraw/zinc/95/08/27/1191950827.db2.gz CDEAPCCMDBWNTF-QGZVFWFLSA-N 2 1 301.478 3.108 20 0 DGADMP COCC[C@H]([NH3+])C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC001578999966 1191963977 /nfs/dbraw/zinc/96/39/77/1191963977.db2.gz LBFXSWAWAOZCCW-WJFTUGDTSA-N 2 1 302.462 3.008 20 0 DGADMP COCC[C@H]([NH3+])C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001579002927 1191964070 /nfs/dbraw/zinc/96/40/70/1191964070.db2.gz VPTRXVFQHJSKAD-SFHVURJKSA-N 2 1 312.457 3.383 20 0 DGADMP COCC[C@@H]([NH3+])C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001579000569 1191964122 /nfs/dbraw/zinc/96/41/22/1191964122.db2.gz XMQOOGVLYHFHBY-OAHLLOKOSA-N 2 1 318.383 3.280 20 0 DGADMP COCC[C@@H]([NH3+])C[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001579000569 1191964125 /nfs/dbraw/zinc/96/41/25/1191964125.db2.gz XMQOOGVLYHFHBY-OAHLLOKOSA-N 2 1 318.383 3.280 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC1CC1 ZINC001579216076 1191969473 /nfs/dbraw/zinc/96/94/73/1191969473.db2.gz BFHFMVFIXQUJDD-KRWDZBQOSA-N 2 1 318.461 3.234 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c2ccccc21 ZINC001579324619 1191973969 /nfs/dbraw/zinc/97/39/69/1191973969.db2.gz UPZZWMSNCOZREP-KDOFPFPSSA-N 2 1 313.445 3.193 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2nc3c(s2)C[NH2+]CC3)c1 ZINC001579580405 1191981261 /nfs/dbraw/zinc/98/12/61/1191981261.db2.gz WWTZMMJYZXSNOY-ZDUSSCGKSA-N 2 1 301.459 3.256 20 0 DGADMP Cc1ccc(OC(F)F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001579723209 1191988615 /nfs/dbraw/zinc/98/86/15/1191988615.db2.gz DXGGYBWIRKXVMK-UHFFFAOYSA-N 2 1 310.388 3.172 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579789794 1191993667 /nfs/dbraw/zinc/99/36/67/1191993667.db2.gz AFFQVRCZKKKMRI-DWRORGKVSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C(C)(C)[NH3+])no1)CCC2 ZINC001579868665 1191997422 /nfs/dbraw/zinc/99/74/22/1191997422.db2.gz MXVLSHRDZOJFLB-ZDUSSCGKSA-N 2 1 320.462 3.143 20 0 DGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1)CCC2 ZINC001579868665 1191997424 /nfs/dbraw/zinc/99/74/24/1191997424.db2.gz MXVLSHRDZOJFLB-ZDUSSCGKSA-N 2 1 320.462 3.143 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001579887626 1191998619 /nfs/dbraw/zinc/99/86/19/1191998619.db2.gz GSKTXFWVKIHHDB-AWEZNQCLSA-N 2 1 318.852 3.005 20 0 DGADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001580173586 1192011682 /nfs/dbraw/zinc/01/16/82/1192011682.db2.gz XYTFLEQCAIMYGW-ACBHZAAOSA-N 3 1 313.489 3.043 20 0 DGADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001580173586 1192011685 /nfs/dbraw/zinc/01/16/85/1192011685.db2.gz XYTFLEQCAIMYGW-ACBHZAAOSA-N 3 1 313.489 3.043 20 0 DGADMP O[C@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC001580877652 1192043572 /nfs/dbraw/zinc/04/35/72/1192043572.db2.gz CREMZJVWVVYJEI-FUHWJXTLSA-N 2 1 322.880 3.085 20 0 DGADMP O[C@@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC001580877651 1192043660 /nfs/dbraw/zinc/04/36/60/1192043660.db2.gz CREMZJVWVVYJEI-AEFFLSMTSA-N 2 1 322.880 3.085 20 0 DGADMP Oc1ccc(C[C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001580888694 1192043875 /nfs/dbraw/zinc/04/38/75/1192043875.db2.gz WAEWMEDVHNUSQE-ROUUACIJSA-N 2 1 302.462 3.179 20 0 DGADMP c1c(C[N@@H+]2CCC[C@H]2CC2CCCCC2)onc1C1C[NH2+]C1 ZINC001580888344 1192044024 /nfs/dbraw/zinc/04/40/24/1192044024.db2.gz JPPTUAMPPPTYJW-INIZCTEOSA-N 2 1 303.450 3.296 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CC2CCCCC2)CC1 ZINC001620623151 1192047408 /nfs/dbraw/zinc/04/74/08/1192047408.db2.gz MRNSHFQDYWTPLO-IBGZPJMESA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC2CCCCC2)CC1 ZINC001620623151 1192047410 /nfs/dbraw/zinc/04/74/10/1192047410.db2.gz MRNSHFQDYWTPLO-IBGZPJMESA-N 2 1 310.526 3.370 20 0 DGADMP COCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001620868838 1192492759 /nfs/dbraw/zinc/49/27/59/1192492759.db2.gz RDQCVTFFQGQSPW-LJQANCHMSA-N 2 1 304.478 3.291 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC001620873243 1192503864 /nfs/dbraw/zinc/50/38/64/1192503864.db2.gz UUMLVZIBRHADJK-PCCBWWKXSA-N 2 1 321.468 3.472 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@H]1C ZINC001620897970 1192561856 /nfs/dbraw/zinc/56/18/56/1192561856.db2.gz CZZOHMJXGCDLOB-YKCBXCCJSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(C)n1 ZINC001620897675 1192561963 /nfs/dbraw/zinc/56/19/63/1192561963.db2.gz RLPRHZRZXVCHKP-SJLPKXTDSA-N 2 1 301.478 3.441 20 0 DGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC001691188937 1176372682 /nfs/dbraw/zinc/37/26/82/1176372682.db2.gz KBDUJUUHMUGWQH-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001691188937 1176372690 /nfs/dbraw/zinc/37/26/90/1176372690.db2.gz KBDUJUUHMUGWQH-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001691188937 1176372698 /nfs/dbraw/zinc/37/26/98/1176372698.db2.gz KBDUJUUHMUGWQH-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000148153826 1176500619 /nfs/dbraw/zinc/50/06/19/1176500619.db2.gz MJISGRPLBHDLIL-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP CCc1nc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000379680648 1176816422 /nfs/dbraw/zinc/81/64/22/1176816422.db2.gz NJLATSAOTIEYGC-MRXNPFEDSA-N 2 1 312.461 3.092 20 0 DGADMP CCc1nc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000379680648 1176816431 /nfs/dbraw/zinc/81/64/31/1176816431.db2.gz NJLATSAOTIEYGC-MRXNPFEDSA-N 2 1 312.461 3.092 20 0 DGADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001330999347 1178108902 /nfs/dbraw/zinc/10/89/02/1178108902.db2.gz FTWRKGZKVCGSAW-UHFFFAOYSA-N 2 1 311.857 3.105 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C[C@@H](Cc2ccccc2)OC)CC1 ZINC001331027870 1178117143 /nfs/dbraw/zinc/11/71/43/1178117143.db2.gz WAPICKUVDNGVTM-LJQANCHMSA-N 2 1 304.478 3.050 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C[C@H](Cc2ccccc2)OC)CC1 ZINC001331027869 1178117272 /nfs/dbraw/zinc/11/72/72/1178117272.db2.gz WAPICKUVDNGVTM-IBGZPJMESA-N 2 1 304.478 3.050 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001331228381 1178159840 /nfs/dbraw/zinc/15/98/40/1178159840.db2.gz AVGDEBHFOGVESJ-VIQWUECVSA-N 3 1 307.526 3.105 20 0 DGADMP CCN1CCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001331228381 1178159844 /nfs/dbraw/zinc/15/98/44/1178159844.db2.gz AVGDEBHFOGVESJ-VIQWUECVSA-N 2 1 307.526 3.105 20 0 DGADMP COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC001331950709 1178316736 /nfs/dbraw/zinc/31/67/36/1178316736.db2.gz LYESXRQUAATONC-MRXNPFEDSA-N 2 1 324.468 3.404 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1Cl ZINC001332095134 1178357777 /nfs/dbraw/zinc/35/77/77/1178357777.db2.gz KCPOQTQKVSWFLT-PBHICJAKSA-N 2 1 323.868 3.248 20 0 DGADMP CN(C)c1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001332360112 1178427808 /nfs/dbraw/zinc/42/78/08/1178427808.db2.gz RBDKQYBGDNYQPG-GJZGRUSLSA-N 2 1 321.896 3.228 20 0 DGADMP Clc1cc2c(c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c1)OCC2 ZINC001332359967 1178428116 /nfs/dbraw/zinc/42/81/16/1178428116.db2.gz PYIOXCAHZAOWRI-UHFFFAOYSA-N 2 1 320.864 3.241 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001332424655 1178444098 /nfs/dbraw/zinc/44/40/98/1178444098.db2.gz OIKPXJXCRKDKOC-UHFFFAOYSA-N 2 1 302.462 3.059 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)nc2)[C@@H](C)C1 ZINC001332923186 1178522823 /nfs/dbraw/zinc/52/28/23/1178522823.db2.gz ZQAKAJMBKHKLSW-ZOBUZTSGSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)nc2)[C@@H](C)C1 ZINC001332923186 1178522840 /nfs/dbraw/zinc/52/28/40/1178522840.db2.gz ZQAKAJMBKHKLSW-ZOBUZTSGSA-N 2 1 323.456 3.008 20 0 DGADMP Cc1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC001333322446 1178589253 /nfs/dbraw/zinc/58/92/53/1178589253.db2.gz XKSSVGODUYYZPY-SFHVURJKSA-N 2 1 324.472 3.110 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC001333322446 1178589268 /nfs/dbraw/zinc/58/92/68/1178589268.db2.gz XKSSVGODUYYZPY-SFHVURJKSA-N 2 1 324.472 3.110 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC001333322446 1178589272 /nfs/dbraw/zinc/58/92/72/1178589272.db2.gz XKSSVGODUYYZPY-SFHVURJKSA-N 2 1 324.472 3.110 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001333627942 1178641808 /nfs/dbraw/zinc/64/18/08/1178641808.db2.gz ASRNULRNHRDVCH-VQTJNVASSA-N 2 1 316.489 3.428 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc([S@@](C)=O)cc1 ZINC001333735013 1178663295 /nfs/dbraw/zinc/66/32/95/1178663295.db2.gz VPWJOQGGJNUITD-JOCHJYFZSA-N 2 1 322.518 3.122 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)CC1 ZINC001333813592 1178678696 /nfs/dbraw/zinc/67/86/96/1178678696.db2.gz JHDOGGWUYIAPMP-MRXNPFEDSA-N 2 1 318.465 3.206 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@H]2C1 ZINC001333840800 1178683614 /nfs/dbraw/zinc/68/36/14/1178683614.db2.gz IGUPFQATTGOERC-FVQBIDKESA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc4c(s3)CCCC4)C[C@@H]2C1 ZINC001333839721 1178683703 /nfs/dbraw/zinc/68/37/03/1178683703.db2.gz BNYCJVZOIOPCQM-SOUVJXGZSA-N 2 1 319.518 3.184 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]2C1 ZINC001333840481 1178683747 /nfs/dbraw/zinc/68/37/47/1178683747.db2.gz FXKYMTIQAILYFA-CMKODMSKSA-N 2 1 324.472 3.034 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001333892409 1178691800 /nfs/dbraw/zinc/69/18/00/1178691800.db2.gz QPZBZQUKAJHWBQ-HRCADAONSA-N 2 1 320.452 3.387 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001334355180 1178753643 /nfs/dbraw/zinc/75/36/43/1178753643.db2.gz AEFKJDZWCXWUFE-SZMVWBNQSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001334358250 1178753776 /nfs/dbraw/zinc/75/37/76/1178753776.db2.gz XPQWNJMTHSHLIT-KSZLIROESA-N 2 1 318.509 3.243 20 0 DGADMP c1cc(C2CC2)ccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001334401753 1178759220 /nfs/dbraw/zinc/75/92/20/1178759220.db2.gz IINVWODXUXMPLO-UHFFFAOYSA-N 2 1 314.473 3.297 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001335582651 1178933457 /nfs/dbraw/zinc/93/34/57/1178933457.db2.gz NOKWFZCRELHLHX-MPGHIAIKSA-N 2 1 319.468 3.054 20 0 DGADMP CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001341569184 1179029820 /nfs/dbraw/zinc/02/98/20/1179029820.db2.gz MLVAJVUPQRUDSB-WMZOPIPTSA-N 2 1 322.518 3.343 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001342160634 1179111974 /nfs/dbraw/zinc/11/19/74/1179111974.db2.gz MCQOFJVPBONHPN-RYQLBKOJSA-N 2 1 317.477 3.175 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)cn1 ZINC001343323956 1179256434 /nfs/dbraw/zinc/25/64/34/1179256434.db2.gz QMECOFRCCAAYQW-YOFSQIOKSA-N 2 1 324.472 3.144 20 0 DGADMP Cn1cc(-c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)cn1 ZINC001343323956 1179256441 /nfs/dbraw/zinc/25/64/41/1179256441.db2.gz QMECOFRCCAAYQW-YOFSQIOKSA-N 2 1 324.472 3.144 20 0 DGADMP Cn1cc(-c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)cn1 ZINC001343323956 1179256448 /nfs/dbraw/zinc/25/64/48/1179256448.db2.gz QMECOFRCCAAYQW-YOFSQIOKSA-N 2 1 324.472 3.144 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC001344540976 1179448119 /nfs/dbraw/zinc/44/81/19/1179448119.db2.gz RXTNZBJHEOKXOR-GOSISDBHSA-N 2 1 317.477 3.260 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC001345413974 1179561313 /nfs/dbraw/zinc/56/13/13/1179561313.db2.gz YOQWKQUVRRZGEL-HZPDHXFCSA-N 2 1 320.477 3.395 20 0 DGADMP Clc1ccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001346017131 1179639534 /nfs/dbraw/zinc/63/95/34/1179639534.db2.gz KBSJYLYVYYNQMK-UHFFFAOYSA-N 2 1 308.853 3.184 20 0 DGADMP CC[NH+](C/C=C/C[N@H+](CC)Cc1ccncc1)Cc1ccncc1 ZINC001347099773 1179777438 /nfs/dbraw/zinc/77/74/38/1179777438.db2.gz ZRVRJCAFJGCVFL-AATRIKPKSA-N 2 1 324.472 3.377 20 0 DGADMP Cc1ncoc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001350309902 1180049440 /nfs/dbraw/zinc/04/94/40/1180049440.db2.gz NEHKIHQJTLLTRQ-HNNXBMFYSA-N 2 1 305.466 3.460 20 0 DGADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316066 1193002470 /nfs/dbraw/zinc/00/24/70/1193002470.db2.gz WZUHLEGBCZLUEG-OXQOHEQNSA-N 2 1 313.489 3.185 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1C ZINC001352112752 1180297477 /nfs/dbraw/zinc/29/74/77/1180297477.db2.gz OWABUBMAVJYHNS-KSZLIROESA-N 2 1 302.462 3.166 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001352178315 1180305395 /nfs/dbraw/zinc/30/53/95/1180305395.db2.gz LFRSDZNTOYRXLI-YJBOKZPZSA-N 2 1 304.482 3.146 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(OC)CCC1 ZINC001352826879 1180406338 /nfs/dbraw/zinc/40/63/38/1180406338.db2.gz XJRHUZDWAIHIBU-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200508295 1180690908 /nfs/dbraw/zinc/69/09/08/1180690908.db2.gz YRBRGPZQUYHCJT-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001364930426 1181682810 /nfs/dbraw/zinc/68/28/10/1181682810.db2.gz HXVAPJMZFNCKEM-ZDUSSCGKSA-N 2 1 319.424 3.290 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC001365616518 1181684462 /nfs/dbraw/zinc/68/44/62/1181684462.db2.gz SEZFDFWLPOTSTC-KBXCAEBGSA-N 2 1 317.477 3.228 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546144 1181761250 /nfs/dbraw/zinc/76/12/50/1181761250.db2.gz QONJHAUPPINOAD-HNNXBMFYSA-N 2 1 313.445 3.104 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546144 1181761254 /nfs/dbraw/zinc/76/12/54/1181761254.db2.gz QONJHAUPPINOAD-HNNXBMFYSA-N 2 1 313.445 3.104 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546144 1181761258 /nfs/dbraw/zinc/76/12/58/1181761258.db2.gz QONJHAUPPINOAD-HNNXBMFYSA-N 2 1 313.445 3.104 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001421546144 1181761262 /nfs/dbraw/zinc/76/12/62/1181761262.db2.gz QONJHAUPPINOAD-HNNXBMFYSA-N 2 1 313.445 3.104 20 0 DGADMP [NH3+][C@@H](C[NH2+]CC1(c2ccc(F)cc2Cl)CC1)CC(F)(F)F ZINC001580131896 1182022145 /nfs/dbraw/zinc/02/21/45/1182022145.db2.gz IHWMQEFZXKMAAC-SNVBAGLBSA-N 2 1 324.749 3.380 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001458370968 1182518854 /nfs/dbraw/zinc/51/88/54/1182518854.db2.gz ZRWFAEZJTRSSDA-UHFFFAOYSA-N 2 1 321.346 3.421 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC(C)(C)C1 ZINC001459819915 1182619008 /nfs/dbraw/zinc/61/90/08/1182619008.db2.gz OKPDAJQGYJHYHD-KRWDZBQOSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC(C)(C)C1 ZINC001459819915 1182619012 /nfs/dbraw/zinc/61/90/12/1182619012.db2.gz OKPDAJQGYJHYHD-KRWDZBQOSA-N 2 1 316.489 3.387 20 0 DGADMP c1cc(N2CCC[N@H+](CCOC3CCCCCC3)CC2)cc[nH+]1 ZINC001460302308 1182674881 /nfs/dbraw/zinc/67/48/81/1182674881.db2.gz AKOHOASWXMLCLX-UHFFFAOYSA-N 2 1 317.477 3.333 20 0 DGADMP CC1(C)CCC[C@@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001461165241 1182776978 /nfs/dbraw/zinc/77/69/78/1182776978.db2.gz HKEHMZJUQMDIPV-QGZVFWFLSA-N 2 1 308.510 3.437 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001461182679 1182778828 /nfs/dbraw/zinc/77/88/28/1182778828.db2.gz QIGZWPBRAKLORF-DLBZAZTESA-N 2 1 302.462 3.407 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001461182679 1182778833 /nfs/dbraw/zinc/77/88/33/1182778833.db2.gz QIGZWPBRAKLORF-DLBZAZTESA-N 2 1 302.462 3.407 20 0 DGADMP CC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001461199641 1182781014 /nfs/dbraw/zinc/78/10/14/1182781014.db2.gz ZVBYLWLZZMBGGF-AOIWGVFYSA-N 2 1 308.510 3.436 20 0 DGADMP CCOc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1OC ZINC001461426153 1182812472 /nfs/dbraw/zinc/81/24/72/1182812472.db2.gz ZWMFEGTZFOOWEL-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001461829488 1182864297 /nfs/dbraw/zinc/86/42/97/1182864297.db2.gz KYPAHKGJTFGWAY-AYOQOUSVSA-N 2 1 310.441 3.278 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(F)c(F)c3)CC[C@H]21 ZINC001461868075 1182866698 /nfs/dbraw/zinc/86/66/98/1182866698.db2.gz XSJBCWICESTYAB-CRAIPNDOSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccc(F)c(F)c3)CC[C@H]21 ZINC001461868075 1182866707 /nfs/dbraw/zinc/86/67/07/1182866707.db2.gz XSJBCWICESTYAB-CRAIPNDOSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccc(F)c(F)c3)CC[C@H]21 ZINC001461868075 1182866721 /nfs/dbraw/zinc/86/67/21/1182866721.db2.gz XSJBCWICESTYAB-CRAIPNDOSA-N 2 1 308.416 3.314 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001461958083 1182885149 /nfs/dbraw/zinc/88/51/49/1182885149.db2.gz PQFNRFMDXAZDHM-FQEVSTJZSA-N 3 1 321.553 3.306 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470307 1182957589 /nfs/dbraw/zinc/95/75/89/1182957589.db2.gz JJYMCJDPLVCCPN-APWZRJJASA-N 2 1 318.509 3.235 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470307 1182957592 /nfs/dbraw/zinc/95/75/92/1182957592.db2.gz JJYMCJDPLVCCPN-APWZRJJASA-N 2 1 318.509 3.235 20 0 DGADMP C[N@H+]1C[C@@H]2CN(Cc3ccccc3CC(F)(F)F)C[C@]2(C)C1 ZINC001462617840 1182976368 /nfs/dbraw/zinc/97/63/68/1182976368.db2.gz JXNNCVWPHIXZKC-CVEARBPZSA-N 2 1 312.379 3.175 20 0 DGADMP C[N@H+](Cc1ccc([Si](C)(C)C)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001473182474 1183725556 /nfs/dbraw/zinc/72/55/56/1183725556.db2.gz FLRCTOJNTNFAOB-QGZVFWFLSA-N 2 1 304.554 3.005 20 0 DGADMP C[NH+](Cc1ccc([Si](C)(C)C)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001473182474 1183725560 /nfs/dbraw/zinc/72/55/60/1183725560.db2.gz FLRCTOJNTNFAOB-QGZVFWFLSA-N 2 1 304.554 3.005 20 0 DGADMP C[NH+](Cc1ccc([Si](C)(C)C)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001473182474 1183725566 /nfs/dbraw/zinc/72/55/66/1183725566.db2.gz FLRCTOJNTNFAOB-QGZVFWFLSA-N 2 1 304.554 3.005 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001473902175 1183823787 /nfs/dbraw/zinc/82/37/87/1183823787.db2.gz RAXYSIZUWHKRKA-AQNXPRMDSA-N 2 1 319.537 3.057 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001473902175 1183823792 /nfs/dbraw/zinc/82/37/92/1183823792.db2.gz RAXYSIZUWHKRKA-AQNXPRMDSA-N 2 1 319.537 3.057 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001473902175 1183823799 /nfs/dbraw/zinc/82/37/99/1183823799.db2.gz RAXYSIZUWHKRKA-AQNXPRMDSA-N 2 1 319.537 3.057 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001473935784 1183832718 /nfs/dbraw/zinc/83/27/18/1183832718.db2.gz PCJAQQVEHHXCCX-HOTGVXAUSA-N 2 1 314.477 3.100 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC001473937436 1183832868 /nfs/dbraw/zinc/83/28/68/1183832868.db2.gz SZGKVAZNUCTOMP-AOMKIAJQSA-N 2 1 322.518 3.026 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC001473937081 1183833248 /nfs/dbraw/zinc/83/32/48/1183833248.db2.gz KOBCLYTUEGOFPN-OAHLLOKOSA-N 2 1 318.440 3.218 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473964652 1183839589 /nfs/dbraw/zinc/83/95/89/1183839589.db2.gz IKTLWKVHPWDSSK-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473964652 1183839597 /nfs/dbraw/zinc/83/95/97/1183839597.db2.gz IKTLWKVHPWDSSK-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)s2)[C@@H](C)C1 ZINC001474002229 1183848354 /nfs/dbraw/zinc/84/83/54/1183848354.db2.gz LDBNZVUNBFSKCN-WMLDXEAASA-N 2 1 310.507 3.283 20 0 DGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)ccc2c1 ZINC001474302653 1183901313 /nfs/dbraw/zinc/90/13/13/1183901313.db2.gz CFLFGDMLMGODGW-YZGWKJHDSA-N 2 1 310.441 3.278 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316596 1183903713 /nfs/dbraw/zinc/90/37/13/1183903713.db2.gz CKLBOBOAWYJFOK-PBHICJAKSA-N 2 1 307.457 3.196 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC001474319630 1183903966 /nfs/dbraw/zinc/90/39/66/1183903966.db2.gz YZLYNLXNRNBRSI-KSSFIOAISA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC001474319630 1183903967 /nfs/dbraw/zinc/90/39/67/1183903967.db2.gz YZLYNLXNRNBRSI-KSSFIOAISA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC001474319630 1183903968 /nfs/dbraw/zinc/90/39/68/1183903968.db2.gz YZLYNLXNRNBRSI-KSSFIOAISA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC001474319630 1183903969 /nfs/dbraw/zinc/90/39/69/1183903969.db2.gz YZLYNLXNRNBRSI-KSSFIOAISA-N 2 1 308.441 3.387 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC001474348008 1183907209 /nfs/dbraw/zinc/90/72/09/1183907209.db2.gz AZMSLKWVPPMXBU-OTWHNJEPSA-N 2 1 308.510 3.412 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC001474389636 1183914515 /nfs/dbraw/zinc/91/45/15/1183914515.db2.gz QFDOFOOFBCZTPG-SFHVURJKSA-N 2 1 302.462 3.119 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccc(C(C)(C)C)cc3)C[C@]2(C)C1 ZINC001474730537 1183969916 /nfs/dbraw/zinc/96/99/16/1183969916.db2.gz YMUXPAORWKHALI-QUCCMNQESA-N 2 1 300.490 3.410 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc(C(C)(C)C)cc3)C[C@]2(C)C1 ZINC001474730537 1183969920 /nfs/dbraw/zinc/96/99/20/1183969920.db2.gz YMUXPAORWKHALI-QUCCMNQESA-N 2 1 300.490 3.410 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(C(C)(C)C)cc3)C[C@]2(C)C1 ZINC001474730537 1183969922 /nfs/dbraw/zinc/96/99/22/1183969922.db2.gz YMUXPAORWKHALI-QUCCMNQESA-N 2 1 300.490 3.410 20 0 DGADMP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001506533230 1186240920 /nfs/dbraw/zinc/24/09/20/1186240920.db2.gz BICUGPWXVBCEAD-AEFFLSMTSA-N 2 1 323.525 3.066 20 0 DGADMP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001506563698 1186251165 /nfs/dbraw/zinc/25/11/65/1186251165.db2.gz YUGDOVPDJCPOKL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001506563698 1186251171 /nfs/dbraw/zinc/25/11/71/1186251171.db2.gz YUGDOVPDJCPOKL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506563698 1186251174 /nfs/dbraw/zinc/25/11/74/1186251174.db2.gz YUGDOVPDJCPOKL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001506563698 1186251181 /nfs/dbraw/zinc/25/11/81/1186251181.db2.gz YUGDOVPDJCPOKL-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(SCC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C ZINC001655749009 1195960050 /nfs/dbraw/zinc/96/00/50/1195960050.db2.gz AXTCCKWTPAVEHL-AEFFLSMTSA-N 2 1 304.503 3.279 20 0 DGADMP Cc1ccc(SCC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1C ZINC001655749009 1195960053 /nfs/dbraw/zinc/96/00/53/1195960053.db2.gz AXTCCKWTPAVEHL-AEFFLSMTSA-N 2 1 304.503 3.279 20 0 DGADMP Cc1ccc(SCC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001655749009 1195960055 /nfs/dbraw/zinc/96/00/55/1195960055.db2.gz AXTCCKWTPAVEHL-AEFFLSMTSA-N 2 1 304.503 3.279 20 0 DGADMP Cc1ccc(SCC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001655749009 1195960058 /nfs/dbraw/zinc/96/00/58/1195960058.db2.gz AXTCCKWTPAVEHL-AEFFLSMTSA-N 2 1 304.503 3.279 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001523568498 1187173475 /nfs/dbraw/zinc/17/34/75/1187173475.db2.gz XNOWAFAWDKPBLE-INIZCTEOSA-N 2 1 303.450 3.083 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779678 1193528721 /nfs/dbraw/zinc/52/87/21/1193528721.db2.gz MIIGOPVUJFZCLB-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779678 1193528724 /nfs/dbraw/zinc/52/87/24/1193528724.db2.gz MIIGOPVUJFZCLB-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779678 1193528728 /nfs/dbraw/zinc/52/87/28/1193528728.db2.gz MIIGOPVUJFZCLB-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001615779678 1193528732 /nfs/dbraw/zinc/52/87/32/1193528732.db2.gz MIIGOPVUJFZCLB-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+]C2CCC(F)(F)CC2)[C@@H](c2ccccc2)C1 ZINC001549033913 1188488255 /nfs/dbraw/zinc/48/82/55/1188488255.db2.gz HSTFAQHMYOZDOH-DOTOQJQBSA-N 2 1 308.416 3.499 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)c1OC(C)C ZINC001549087456 1188493069 /nfs/dbraw/zinc/49/30/69/1188493069.db2.gz LLNIJHLWEBPCLP-VQIMIIECSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)c1OC(C)C ZINC001549087456 1188493071 /nfs/dbraw/zinc/49/30/71/1188493071.db2.gz LLNIJHLWEBPCLP-VQIMIIECSA-N 2 1 318.461 3.043 20 0 DGADMP Cn1cc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)c(C2CCCCC2)n1 ZINC001549088021 1188493439 /nfs/dbraw/zinc/49/34/39/1188493439.db2.gz DAPIPOCKGFNPAB-MJGOQNOKSA-N 2 1 316.493 3.029 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@H]32)CC[NH2+]1 ZINC001549087624 1188493734 /nfs/dbraw/zinc/49/37/34/1188493734.db2.gz IGNFJBVPXKSYIH-ZJXIFLPPSA-N 2 1 314.473 3.369 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC001549113118 1188495863 /nfs/dbraw/zinc/49/58/63/1188495863.db2.gz DESVHBPMRHVBLP-XLIONFOSSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](c3ccccc3)CO2)CC1(C)C ZINC001549544774 1188525859 /nfs/dbraw/zinc/52/58/59/1188525859.db2.gz AZSIZGWAJVMMFI-FGTMMUONSA-N 2 1 302.462 3.022 20 0 DGADMP c1c[nH]c([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC001550133572 1188584516 /nfs/dbraw/zinc/58/45/16/1188584516.db2.gz SEVFZUYDSVWLQI-LJQANCHMSA-N 2 1 324.472 3.385 20 0 DGADMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC001550242843 1188597488 /nfs/dbraw/zinc/59/74/88/1188597488.db2.gz ISMALMNNVUKDDZ-FHWLQOOXSA-N 2 1 307.441 3.004 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC001550242843 1188597492 /nfs/dbraw/zinc/59/74/92/1188597492.db2.gz ISMALMNNVUKDDZ-FHWLQOOXSA-N 2 1 307.441 3.004 20 0 DGADMP C[C@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001550350138 1188608779 /nfs/dbraw/zinc/60/87/79/1188608779.db2.gz INPZQVJBIQCINB-ZFWWWQNUSA-N 2 1 313.470 3.024 20 0 DGADMP C[C@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC001550350138 1188608784 /nfs/dbraw/zinc/60/87/84/1188608784.db2.gz INPZQVJBIQCINB-ZFWWWQNUSA-N 2 1 313.470 3.024 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001550352969 1188609144 /nfs/dbraw/zinc/60/91/44/1188609144.db2.gz JDFIFKBBRODTAU-KBAYOESNSA-N 2 1 324.472 3.112 20 0 DGADMP FC(F)(F)[C@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351799 1188609208 /nfs/dbraw/zinc/60/92/08/1188609208.db2.gz JDVMZFWMFRVQHB-IWNKAIHXSA-N 2 1 302.384 3.181 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]C3CCC(C)CC3)C2)[C@@H]1C(C)C ZINC001550352857 1188609346 /nfs/dbraw/zinc/60/93/46/1188609346.db2.gz JWRZKBMTVYLYQQ-NZVLVSGESA-N 2 1 308.510 3.025 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cc1 ZINC001550355625 1188609994 /nfs/dbraw/zinc/60/99/94/1188609994.db2.gz ZWPSYXGVQNURLM-ZMHJYQQXSA-N 2 1 316.489 3.125 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3ccsc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550355810 1188610139 /nfs/dbraw/zinc/61/01/39/1188610139.db2.gz SAXHAMWDTRJMTJ-JWYNJWGYSA-N 2 1 322.518 3.269 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)C1 ZINC001550515930 1188618177 /nfs/dbraw/zinc/61/81/77/1188618177.db2.gz YNELAZLXVOEQTF-OWCLPIDISA-N 2 1 303.450 3.138 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@]23CCCCO3)C1 ZINC001550521377 1188619140 /nfs/dbraw/zinc/61/91/40/1188619140.db2.gz HEHQRBBICALGBV-MUQADHOPSA-N 2 1 303.450 3.138 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)o1 ZINC001550541180 1188622029 /nfs/dbraw/zinc/62/20/29/1188622029.db2.gz RTOULIVKVCSBBC-JKSUJKDBSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)o1 ZINC001550541180 1188622030 /nfs/dbraw/zinc/62/20/30/1188622030.db2.gz RTOULIVKVCSBBC-JKSUJKDBSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC001550541180 1188622031 /nfs/dbraw/zinc/62/20/31/1188622031.db2.gz RTOULIVKVCSBBC-JKSUJKDBSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC001550541180 1188622032 /nfs/dbraw/zinc/62/20/32/1188622032.db2.gz RTOULIVKVCSBBC-JKSUJKDBSA-N 2 1 311.429 3.034 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc(C(C)(C)C)s1)CC2 ZINC001550660838 1188637995 /nfs/dbraw/zinc/63/79/95/1188637995.db2.gz VXMNQLNTMYPTBR-UHFFFAOYSA-N 2 1 322.522 3.143 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001550952903 1188674946 /nfs/dbraw/zinc/67/49/46/1188674946.db2.gz PGZFZXBRWIYRSH-FXQQTDPRSA-N 3 1 316.493 3.053 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001551286102 1188725487 /nfs/dbraw/zinc/72/54/87/1188725487.db2.gz ZSZFYXCKZJRXRV-CEXWTWQISA-N 2 1 309.457 3.397 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@H](C)c1c[nH+]ccc1N ZINC001551378162 1188732157 /nfs/dbraw/zinc/73/21/57/1188732157.db2.gz HVDJLYLHMXIUAJ-XEKQOVJPSA-N 2 1 311.429 3.477 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+][C@H]2CCOC23CCCCC3)C1 ZINC001551385199 1188734434 /nfs/dbraw/zinc/73/44/34/1188734434.db2.gz MIGBQIFGESCNMM-PMPSAXMXSA-N 2 1 303.450 3.138 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1C[C@@H]2COCC[C@@H]2C1 ZINC001552169243 1188822411 /nfs/dbraw/zinc/82/24/11/1188822411.db2.gz GGWYUWWMDQOLPJ-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP CC(C)[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001552928696 1188882757 /nfs/dbraw/zinc/88/27/57/1188882757.db2.gz DMNTZEAMDDQOSE-GBESFXJTSA-N 2 1 314.473 3.022 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552928689 1188882997 /nfs/dbraw/zinc/88/29/97/1188882997.db2.gz DHWIFKUVTQSIPP-OKZBNKHCSA-N 2 1 306.494 3.190 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H]2CCC[NH2+][C@H]21 ZINC001553021928 1188890125 /nfs/dbraw/zinc/89/01/25/1188890125.db2.gz RZWXAUIISMQRQS-BPLDGKMQSA-N 2 1 310.388 3.154 20 0 DGADMP CC[C@@H](C)[N@@H+](CCc1ccccc1F)C[C@H](O)C[NH+](C)C(C)C ZINC001559507210 1189212245 /nfs/dbraw/zinc/21/22/45/1189212245.db2.gz RGMCUXSQEAQTOV-SJLPKXTDSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@@H](C)[NH+](CCc1ccccc1F)C[C@H](O)C[N@H+](C)C(C)C ZINC001559507210 1189212249 /nfs/dbraw/zinc/21/22/49/1189212249.db2.gz RGMCUXSQEAQTOV-SJLPKXTDSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@@H](C)[NH+](CCc1ccccc1F)C[C@H](O)C[N@@H+](C)C(C)C ZINC001559507210 1189212256 /nfs/dbraw/zinc/21/22/56/1189212256.db2.gz RGMCUXSQEAQTOV-SJLPKXTDSA-N 2 1 324.484 3.170 20 0 DGADMP Cc1nccn1CCC[N@H+](C)C[C@H]1CC2(CO1)CCCCC2 ZINC001559662178 1189228177 /nfs/dbraw/zinc/22/81/77/1189228177.db2.gz SBDRGXKSYXSPDD-QGZVFWFLSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC2(CO1)CCCCC2 ZINC001559662178 1189228178 /nfs/dbraw/zinc/22/81/78/1189228178.db2.gz SBDRGXKSYXSPDD-QGZVFWFLSA-N 2 1 305.466 3.253 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC2(CO1)CCCCC2 ZINC001559662178 1189228181 /nfs/dbraw/zinc/22/81/81/1189228181.db2.gz SBDRGXKSYXSPDD-QGZVFWFLSA-N 2 1 305.466 3.253 20 0 DGADMP C[N@@H+]1C[C@]23C[NH+](Cc4ccccc4CF)C[C@@]2(C1)CCCC3 ZINC001560238688 1189297526 /nfs/dbraw/zinc/29/75/26/1189297526.db2.gz VILFZKJTYSITSP-KDURUIRLSA-N 2 1 302.437 3.464 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](Cc4ccccc4CF)C[C@@]2(C1)CCCC3 ZINC001560238688 1189297533 /nfs/dbraw/zinc/29/75/33/1189297533.db2.gz VILFZKJTYSITSP-KDURUIRLSA-N 2 1 302.437 3.464 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](Cc4ccccc4CF)C[C@@]2(C1)CCCC3 ZINC001560238688 1189297538 /nfs/dbraw/zinc/29/75/38/1189297538.db2.gz VILFZKJTYSITSP-KDURUIRLSA-N 2 1 302.437 3.464 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](Cc4ccccc4CF)C[C@@]2(C1)CCCC3 ZINC001560238688 1189297542 /nfs/dbraw/zinc/29/75/42/1189297542.db2.gz VILFZKJTYSITSP-KDURUIRLSA-N 2 1 302.437 3.464 20 0 DGADMP CCn1nc(C)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1C ZINC001560367376 1189319260 /nfs/dbraw/zinc/31/92/60/1189319260.db2.gz IUXHVKQPIBWJOG-UHFFFAOYSA-N 2 1 304.482 3.016 20 0 DGADMP COc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560436008 1189328781 /nfs/dbraw/zinc/32/87/81/1189328781.db2.gz MWPQENAFJWMMFB-RDJZCZTQSA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560436008 1189328786 /nfs/dbraw/zinc/32/87/86/1189328786.db2.gz MWPQENAFJWMMFB-RDJZCZTQSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC001560488221 1189332908 /nfs/dbraw/zinc/33/29/08/1189332908.db2.gz WQYUQAQOFVAWBB-CQSZACIVSA-N 2 1 314.477 3.085 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001560627539 1189350940 /nfs/dbraw/zinc/35/09/40/1189350940.db2.gz DMGSQVDBLRVMTM-HNNXBMFYSA-N 2 1 303.475 3.460 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001560624618 1189351020 /nfs/dbraw/zinc/35/10/20/1189351020.db2.gz UUZKSLFHKSJPIC-HNNXBMFYSA-N 2 1 308.466 3.222 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001560661880 1189357456 /nfs/dbraw/zinc/35/74/56/1189357456.db2.gz KIVDFLZDYBCBSL-RDJZCZTQSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001560661880 1189357458 /nfs/dbraw/zinc/35/74/58/1189357458.db2.gz KIVDFLZDYBCBSL-RDJZCZTQSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC001560667616 1189358512 /nfs/dbraw/zinc/35/85/12/1189358512.db2.gz NJHQTYFGKIYTPR-UXHICEINSA-N 2 1 316.489 3.306 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1Br ZINC001657149693 1196111058 /nfs/dbraw/zinc/11/10/58/1196111058.db2.gz YFMRYCWBGCDETO-RBSFLKMASA-N 2 1 323.278 3.187 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1Br ZINC001657149693 1196111060 /nfs/dbraw/zinc/11/10/60/1196111060.db2.gz YFMRYCWBGCDETO-RBSFLKMASA-N 2 1 323.278 3.187 20 0 DGADMP CC(C)(C)C1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001657225066 1196120183 /nfs/dbraw/zinc/12/01/83/1196120183.db2.gz SGQAHGBURWXWSK-DAWZGUTISA-N 2 1 310.526 3.418 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001566922738 1189953027 /nfs/dbraw/zinc/95/30/27/1189953027.db2.gz CVRTWBKIPBICNX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001566922738 1189953029 /nfs/dbraw/zinc/95/30/29/1189953029.db2.gz CVRTWBKIPBICNX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001566922738 1189953031 /nfs/dbraw/zinc/95/30/31/1189953031.db2.gz CVRTWBKIPBICNX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1c(C)cc(C)nc1C ZINC001570536838 1190879020 /nfs/dbraw/zinc/87/90/20/1190879020.db2.gz UAJNUKYVUYDKQQ-QGZVFWFLSA-N 2 1 317.477 3.343 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001570660297 1190912645 /nfs/dbraw/zinc/91/26/45/1190912645.db2.gz SYUOOLWXXWMKTM-DAWZGUTISA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC001615743891 1191442843 /nfs/dbraw/zinc/44/28/43/1191442843.db2.gz JYSXBDUJYFCDEO-MRXNPFEDSA-N 2 1 312.498 3.020 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC001615743891 1191442844 /nfs/dbraw/zinc/44/28/44/1191442844.db2.gz JYSXBDUJYFCDEO-MRXNPFEDSA-N 2 1 312.498 3.020 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC001620769774 1191465325 /nfs/dbraw/zinc/46/53/25/1191465325.db2.gz NLHFKXIORAAMBO-HXUWFJFHSA-N 2 1 321.424 3.124 20 0 DGADMP CC(C)(C)c1ccc(C[C@@]2(C)CCC[N@H+]2C[C@H](O)CC[NH3+])cc1 ZINC001575272240 1191471372 /nfs/dbraw/zinc/47/13/72/1191471372.db2.gz HKLVNFSHVQXUFO-UYAOXDASSA-N 2 1 318.505 3.091 20 0 DGADMP CC(C)(C)c1cccc(OCC[NH2+]C[C@H]([NH3+])CC(F)(F)F)c1 ZINC001575277735 1191472981 /nfs/dbraw/zinc/47/29/81/1191472981.db2.gz XGQOHZXHPPJXDT-CYBMUJFWSA-N 2 1 318.383 3.232 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC001575740995 1191504855 /nfs/dbraw/zinc/50/48/55/1191504855.db2.gz LOTPMSYOSLGICH-KRWDZBQOSA-N 2 1 306.450 3.057 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2n1C(F)F ZINC001576243374 1191546761 /nfs/dbraw/zinc/54/67/61/1191546761.db2.gz BGBYFRNGQWBLHH-NWDGAFQWSA-N 2 1 308.376 3.082 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)CC1CCCC1)CC1CC[NH+](C)CC1 ZINC001620524845 1193775927 /nfs/dbraw/zinc/77/59/27/1193775927.db2.gz VVOFLQAQAXHKGW-LJQANCHMSA-N 2 1 310.526 3.227 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001620584683 1193781053 /nfs/dbraw/zinc/78/10/53/1193781053.db2.gz ZNCBROHZUFPMHH-IEBWSBKVSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001620584683 1193781055 /nfs/dbraw/zinc/78/10/55/1193781055.db2.gz ZNCBROHZUFPMHH-IEBWSBKVSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001620584683 1193781057 /nfs/dbraw/zinc/78/10/57/1193781057.db2.gz ZNCBROHZUFPMHH-IEBWSBKVSA-N 2 1 307.526 3.198 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001620718837 1193794220 /nfs/dbraw/zinc/79/42/20/1193794220.db2.gz UNLMQZIPVBLTBG-XLIONFOSSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001620718837 1193794221 /nfs/dbraw/zinc/79/42/21/1193794221.db2.gz UNLMQZIPVBLTBG-XLIONFOSSA-N 2 1 316.489 3.230 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCOCC2)C1 ZINC001620720275 1193794388 /nfs/dbraw/zinc/79/43/88/1193794388.db2.gz GAJJZNPJIOKHLG-INIZCTEOSA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001620718836 1193794841 /nfs/dbraw/zinc/79/48/41/1193794841.db2.gz UNLMQZIPVBLTBG-PXNSSMCTSA-N 2 1 316.489 3.230 20 0 DGADMP CC[C@H]1C[C@@H](C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001620718836 1193794843 /nfs/dbraw/zinc/79/48/43/1193794843.db2.gz UNLMQZIPVBLTBG-PXNSSMCTSA-N 2 1 316.489 3.230 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@H]2C1 ZINC001621107844 1193803005 /nfs/dbraw/zinc/80/30/05/1193803005.db2.gz BDCQCUANALFFLT-IHRRRGAJSA-N 2 1 314.351 3.015 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3OC(F)(F)F)[C@H]2C1 ZINC001621107844 1193803016 /nfs/dbraw/zinc/80/30/16/1193803016.db2.gz BDCQCUANALFFLT-IHRRRGAJSA-N 2 1 314.351 3.015 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)n1 ZINC001621349906 1193832244 /nfs/dbraw/zinc/83/22/44/1193832244.db2.gz VNUKLARMEVHKSB-WMZOPIPTSA-N 2 1 319.493 3.121 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001621368972 1193834203 /nfs/dbraw/zinc/83/42/03/1193834203.db2.gz YEALQRVUQAUXSH-CVEARBPZSA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001621368972 1193834208 /nfs/dbraw/zinc/83/42/08/1193834208.db2.gz YEALQRVUQAUXSH-CVEARBPZSA-N 2 1 320.477 3.446 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001640638630 1194823106 /nfs/dbraw/zinc/82/31/06/1194823106.db2.gz DPXWIAGAGPZDOD-SFHVURJKSA-N 2 1 324.428 3.058 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)C1CCCCC1 ZINC001640838204 1194829957 /nfs/dbraw/zinc/82/99/57/1194829957.db2.gz FONIMODLYYNLDF-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CN(CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC001641803602 1194871900 /nfs/dbraw/zinc/87/19/00/1194871900.db2.gz RHUKCQULPSDBQW-LJQANCHMSA-N 2 1 315.505 3.321 20 0 DGADMP CCCOc1cc(C[NH2+]C2CC[NH+](CCC)CC2)ccc1OC ZINC000061016517 1195170138 /nfs/dbraw/zinc/17/01/38/1195170138.db2.gz NEVGLDORTFTDGN-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCC(CC)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001645598435 1195194316 /nfs/dbraw/zinc/19/43/16/1195194316.db2.gz AGTGVLJOARWRJZ-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CC[NH+](CC)CCCN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001645676590 1195197793 /nfs/dbraw/zinc/19/77/93/1195197793.db2.gz YJYMHLPOZJVWMO-LJQANCHMSA-N 2 1 317.521 3.172 20 0 DGADMP CCn1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC001647024790 1195240941 /nfs/dbraw/zinc/24/09/41/1195240941.db2.gz MCLCTPNARIKORF-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCn1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC001647024790 1195240945 /nfs/dbraw/zinc/24/09/45/1195240945.db2.gz MCLCTPNARIKORF-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC001647765368 1195252932 /nfs/dbraw/zinc/25/29/32/1195252932.db2.gz BATCPSDWZMLRFU-LJQANCHMSA-N 2 1 304.478 3.391 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC001647765368 1195252937 /nfs/dbraw/zinc/25/29/37/1195252937.db2.gz BATCPSDWZMLRFU-LJQANCHMSA-N 2 1 304.478 3.391 20 0 DGADMP COCCCC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001648034910 1195272042 /nfs/dbraw/zinc/27/20/42/1195272042.db2.gz DEOCOJBLLFCBFJ-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001648034910 1195272045 /nfs/dbraw/zinc/27/20/45/1195272045.db2.gz DEOCOJBLLFCBFJ-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001648034910 1195272047 /nfs/dbraw/zinc/27/20/47/1195272047.db2.gz DEOCOJBLLFCBFJ-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001648034910 1195272050 /nfs/dbraw/zinc/27/20/50/1195272050.db2.gz DEOCOJBLLFCBFJ-BGYRXZFFSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001648034914 1195272239 /nfs/dbraw/zinc/27/22/39/1195272239.db2.gz DEOCOJBLLFCBFJ-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c(C)s1 ZINC001648365985 1195295054 /nfs/dbraw/zinc/29/50/54/1195295054.db2.gz AQDOACQAEDKIBV-CYBMUJFWSA-N 2 1 301.459 3.471 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC001648712115 1195324806 /nfs/dbraw/zinc/32/48/06/1195324806.db2.gz QGEAATPSWYTMGU-UHFFFAOYSA-N 2 1 323.362 3.499 20 0 DGADMP CCC[N@@H+]1CC[C@@H](NCc2ccccc2CC(F)(F)F)C1 ZINC001651366289 1195449696 /nfs/dbraw/zinc/44/96/96/1195449696.db2.gz XGYLWACKPVWZNK-OAHLLOKOSA-N 2 1 300.368 3.365 20 0 DGADMP CCC[N@H+]1CC[C@@H](NCc2ccccc2CC(F)(F)F)C1 ZINC001651366289 1195449699 /nfs/dbraw/zinc/44/96/99/1195449699.db2.gz XGYLWACKPVWZNK-OAHLLOKOSA-N 2 1 300.368 3.365 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC001651697543 1195498155 /nfs/dbraw/zinc/49/81/55/1195498155.db2.gz CENNQWDVQLJOPO-IMJJTQAJSA-N 2 1 305.491 3.231 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@@H]2C1 ZINC001651697543 1195498159 /nfs/dbraw/zinc/49/81/59/1195498159.db2.gz CENNQWDVQLJOPO-IMJJTQAJSA-N 2 1 305.491 3.231 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@H]2C1 ZINC001651697958 1195498520 /nfs/dbraw/zinc/49/85/20/1195498520.db2.gz LZCFXSJZFWWEMS-SRVKXCTJSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@H]2C1 ZINC001651697958 1195498522 /nfs/dbraw/zinc/49/85/22/1195498522.db2.gz LZCFXSJZFWWEMS-SRVKXCTJSA-N 2 1 304.381 3.197 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc2ccccc21 ZINC001651697941 1195498624 /nfs/dbraw/zinc/49/86/24/1195498624.db2.gz LWIZZVPWZHVOBL-YTQUADARSA-N 2 1 310.441 3.278 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001651737153 1195503460 /nfs/dbraw/zinc/50/34/60/1195503460.db2.gz CLPNDKCUHWUCBZ-QGZVFWFLSA-N 2 1 301.478 3.345 20 0 DGADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001651799744 1195511410 /nfs/dbraw/zinc/51/14/10/1195511410.db2.gz DGRXICRFBGBNBC-SFHVURJKSA-N 2 1 301.478 3.059 20 0 DGADMP CO[C@@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC001651947531 1195527132 /nfs/dbraw/zinc/52/71/32/1195527132.db2.gz TVKIAUVPMLHMFD-APWZRJJASA-N 2 1 308.510 3.388 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC3CC[NH+](C(C)C)CC3)c12 ZINC001652093330 1195546764 /nfs/dbraw/zinc/54/67/64/1195546764.db2.gz UOWWWCIFTMJCHE-UHFFFAOYSA-N 2 1 315.465 3.394 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1C[C@]1(C)Br ZINC001652391720 1195590203 /nfs/dbraw/zinc/59/02/03/1195590203.db2.gz RZIYRPUFTIPSIX-KGLIPLIRSA-N 2 1 305.304 3.214 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1C[C@]1(C)Br ZINC001652391720 1195590208 /nfs/dbraw/zinc/59/02/08/1195590208.db2.gz RZIYRPUFTIPSIX-KGLIPLIRSA-N 2 1 305.304 3.214 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001652519333 1195610801 /nfs/dbraw/zinc/61/08/01/1195610801.db2.gz MSIBEOKCBZOKNH-KZNAEPCWSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001652519333 1195610804 /nfs/dbraw/zinc/61/08/04/1195610804.db2.gz MSIBEOKCBZOKNH-KZNAEPCWSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001652519333 1195610806 /nfs/dbraw/zinc/61/08/06/1195610806.db2.gz MSIBEOKCBZOKNH-KZNAEPCWSA-N 2 1 308.510 3.388 20 0 DGADMP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC001652526813 1195612819 /nfs/dbraw/zinc/61/28/19/1195612819.db2.gz OEXFZWIYPOPMJQ-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC001652526813 1195612823 /nfs/dbraw/zinc/61/28/23/1195612823.db2.gz OEXFZWIYPOPMJQ-QGZVFWFLSA-N 2 1 302.462 3.311 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001652635347 1195630612 /nfs/dbraw/zinc/63/06/12/1195630612.db2.gz KOGQHITYNDWZJA-NSHDSACASA-N 2 1 302.249 3.210 20 0 DGADMP O=C(Nc1ccc2c[nH+]cn2c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001652862217 1195662750 /nfs/dbraw/zinc/66/27/50/1195662750.db2.gz OCVIWSVAXSPGIX-QGZVFWFLSA-N 2 1 312.417 3.070 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H](O)C(C)C)CC1)CC(C)C ZINC001653864990 1195756244 /nfs/dbraw/zinc/75/62/44/1195756244.db2.gz PGNCMTBLWASGIV-LJQANCHMSA-N 2 1 312.542 3.473 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000069160373 1195777324 /nfs/dbraw/zinc/77/73/24/1195777324.db2.gz YYJSOGBDYFDTMI-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP CC[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@@H]1C ZINC001654218310 1195785488 /nfs/dbraw/zinc/78/54/88/1195785488.db2.gz KUMAOXBXVZCTNQ-MOPGFXCFSA-N 2 1 315.505 3.319 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001654511884 1195810889 /nfs/dbraw/zinc/81/08/89/1195810889.db2.gz BUAUKUWZNBXQLR-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001654511884 1195810893 /nfs/dbraw/zinc/81/08/93/1195810893.db2.gz BUAUKUWZNBXQLR-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccccc2)c1)C[NH+]1CCCCC1 ZINC000069783957 1195820833 /nfs/dbraw/zinc/82/08/33/1195820833.db2.gz RNPVLKVTOAEBSV-KRWDZBQOSA-N 2 1 312.461 3.084 20 0 DGADMP CCc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001654655718 1195828041 /nfs/dbraw/zinc/82/80/41/1195828041.db2.gz BHWLOBXXMDOVDB-QGZVFWFLSA-N 2 1 309.457 3.397 20 0 DGADMP CO[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728183 1195833369 /nfs/dbraw/zinc/83/33/69/1195833369.db2.gz WAKUNDUILBXOQA-FYQPLNBISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728183 1195833372 /nfs/dbraw/zinc/83/33/72/1195833372.db2.gz WAKUNDUILBXOQA-FYQPLNBISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728183 1195833375 /nfs/dbraw/zinc/83/33/75/1195833375.db2.gz WAKUNDUILBXOQA-FYQPLNBISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001654728183 1195833377 /nfs/dbraw/zinc/83/33/77/1195833377.db2.gz WAKUNDUILBXOQA-FYQPLNBISA-N 2 1 314.473 3.008 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001654782358 1195840394 /nfs/dbraw/zinc/84/03/94/1195840394.db2.gz JVARCEWBYJDXER-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001654782358 1195840405 /nfs/dbraw/zinc/84/04/05/1195840405.db2.gz JVARCEWBYJDXER-HZPDHXFCSA-N 2 1 312.498 3.161 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@@H+]3CCCC[C@H]3C)c12 ZINC001654908063 1195853176 /nfs/dbraw/zinc/85/31/76/1195853176.db2.gz OOERTJOEUPRCFI-CYBMUJFWSA-N 2 1 301.438 3.148 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@H+]3CCCC[C@H]3C)c12 ZINC001654908063 1195853181 /nfs/dbraw/zinc/85/31/81/1195853181.db2.gz OOERTJOEUPRCFI-CYBMUJFWSA-N 2 1 301.438 3.148 20 0 DGADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001654905666 1195853503 /nfs/dbraw/zinc/85/35/03/1195853503.db2.gz CWTDTLMGQHWZBB-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001654905666 1195853505 /nfs/dbraw/zinc/85/35/05/1195853505.db2.gz CWTDTLMGQHWZBB-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001654905666 1195853506 /nfs/dbraw/zinc/85/35/06/1195853506.db2.gz CWTDTLMGQHWZBB-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001654905666 1195853508 /nfs/dbraw/zinc/85/35/08/1195853508.db2.gz CWTDTLMGQHWZBB-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024468 1195865714 /nfs/dbraw/zinc/86/57/14/1195865714.db2.gz HJEJRCYEYNMOPG-VXGBXAGGSA-N 2 1 301.356 3.055 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024468 1195865722 /nfs/dbraw/zinc/86/57/22/1195865722.db2.gz HJEJRCYEYNMOPG-VXGBXAGGSA-N 2 1 301.356 3.055 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024465 1195865776 /nfs/dbraw/zinc/86/57/76/1195865776.db2.gz HJEJRCYEYNMOPG-NEPJUHHUSA-N 2 1 301.356 3.055 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc[nH+]cc1C(F)(F)F ZINC001655024465 1195865781 /nfs/dbraw/zinc/86/57/81/1195865781.db2.gz HJEJRCYEYNMOPG-NEPJUHHUSA-N 2 1 301.356 3.055 20 0 DGADMP CC(C)C[N@@H+](CCCOC(F)(F)F)CC1CC[NH+](C)CC1 ZINC001655403435 1195912688 /nfs/dbraw/zinc/91/26/88/1195912688.db2.gz HTFRSTCBUKUUAH-UHFFFAOYSA-N 2 1 310.404 3.213 20 0 DGADMP CCOc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OCC ZINC000070945886 1195916234 /nfs/dbraw/zinc/91/62/34/1195916234.db2.gz FBHOXOPDCWIROX-UHFFFAOYSA-N 2 1 308.466 3.161 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1OCC ZINC000071081010 1195926945 /nfs/dbraw/zinc/92/69/45/1195926945.db2.gz UWCOSBCYTXTJIB-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC(C)(C)C1 ZINC001655555636 1195931130 /nfs/dbraw/zinc/93/11/30/1195931130.db2.gz MRYHWFYZSSQLKS-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP CCn1cnc(Cl)c1C[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC001655563545 1195933005 /nfs/dbraw/zinc/93/30/05/1195933005.db2.gz NLADMIATGYQAJE-UHFFFAOYSA-N 2 1 320.868 3.298 20 0 DGADMP CCn1cnc(Cl)c1C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC001655563545 1195933011 /nfs/dbraw/zinc/93/30/11/1195933011.db2.gz NLADMIATGYQAJE-UHFFFAOYSA-N 2 1 320.868 3.298 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655566204 1195933358 /nfs/dbraw/zinc/93/33/58/1195933358.db2.gz RKKUVHGZRYRBHZ-AWEZNQCLSA-N 2 1 322.880 3.485 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001655566204 1195933363 /nfs/dbraw/zinc/93/33/63/1195933363.db2.gz RKKUVHGZRYRBHZ-AWEZNQCLSA-N 2 1 322.880 3.485 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)C[C@]2(C)C1 ZINC001655749048 1195960016 /nfs/dbraw/zinc/96/00/16/1195960016.db2.gz CKFNBROJZZDXLD-APWZRJJASA-N 2 1 302.462 3.247 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)C[C@]2(C)C1 ZINC001655749048 1195960019 /nfs/dbraw/zinc/96/00/19/1195960019.db2.gz CKFNBROJZZDXLD-APWZRJJASA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(C)(C)C)c3)C[C@]2(C)C1 ZINC001655749048 1195960022 /nfs/dbraw/zinc/96/00/22/1195960022.db2.gz CKFNBROJZZDXLD-APWZRJJASA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)c3)C[C@]2(C)C1 ZINC001655749048 1195960025 /nfs/dbraw/zinc/96/00/25/1195960025.db2.gz CKFNBROJZZDXLD-APWZRJJASA-N 2 1 302.462 3.247 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC001656031309 1195989549 /nfs/dbraw/zinc/98/95/49/1195989549.db2.gz FWSCDGIBCZJBDX-DOTOQJQBSA-N 2 1 314.473 3.017 20 0 DGADMP Cc1noc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)n1 ZINC001656055575 1195993492 /nfs/dbraw/zinc/99/34/92/1195993492.db2.gz BVFUHWIMZJOGKS-INIZCTEOSA-N 2 1 314.433 3.007 20 0 DGADMP Cc1noc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2)n1 ZINC001656055575 1195993493 /nfs/dbraw/zinc/99/34/93/1195993493.db2.gz BVFUHWIMZJOGKS-INIZCTEOSA-N 2 1 314.433 3.007 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)nc1 ZINC001656067282 1195994022 /nfs/dbraw/zinc/99/40/22/1195994022.db2.gz LXJCHVXFPIJUSC-MOPGFXCFSA-N 2 1 307.441 3.465 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001656082277 1195996449 /nfs/dbraw/zinc/99/64/49/1195996449.db2.gz ZZOOADHUHPJUCW-CQSZACIVSA-N 2 1 306.498 3.076 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC001656248380 1196023360 /nfs/dbraw/zinc/02/33/60/1196023360.db2.gz AJQIHBYUQLZLFQ-UHFFFAOYSA-N 2 1 309.360 3.200 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001656500828 1196044268 /nfs/dbraw/zinc/04/42/68/1196044268.db2.gz OIKVHRAKTCODQV-RHSMWYFYSA-N 2 1 305.466 3.079 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)CC2 ZINC001656570118 1196050606 /nfs/dbraw/zinc/05/06/06/1196050606.db2.gz XZYTYLCJZPCLKY-SFHVURJKSA-N 2 1 304.478 3.120 20 0 DGADMP COc1cncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1C ZINC001656616776 1196055437 /nfs/dbraw/zinc/05/54/37/1196055437.db2.gz DJLIJGBHWYDZIK-UHFFFAOYSA-N 2 1 305.466 3.143 20 0 DGADMP COc1cncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1C ZINC001656616776 1196055440 /nfs/dbraw/zinc/05/54/40/1196055440.db2.gz DJLIJGBHWYDZIK-UHFFFAOYSA-N 2 1 305.466 3.143 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001656632604 1196056646 /nfs/dbraw/zinc/05/66/46/1196056646.db2.gz GKIKUIJTAQKLND-DYVFJYSZSA-N 2 1 302.466 3.231 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OC)[C@H](C)CC)CC1 ZINC001657010783 1196093464 /nfs/dbraw/zinc/09/34/64/1196093464.db2.gz BZOZCQPUJSXCBR-WBVHZDCISA-N 2 1 312.498 3.018 20 0 DGADMP Cc1cc(C)cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC001657152288 1196111436 /nfs/dbraw/zinc/11/14/36/1196111436.db2.gz CZKCQYDGZSJFAQ-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001657159995 1196112980 /nfs/dbraw/zinc/11/29/80/1196112980.db2.gz ZUQMHDWSBQVITE-INIZCTEOSA-N 2 1 320.477 3.448 20 0 DGADMP Cc1cc(N2CCC([NH2+]C/C=C/c3ccccc3)CC2)nc(C)[nH+]1 ZINC001657323264 1196130493 /nfs/dbraw/zinc/13/04/93/1196130493.db2.gz RSOUOUCEMXWQIT-RMKNXTFCSA-N 2 1 322.456 3.365 20 0 DGADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415597 1196138855 /nfs/dbraw/zinc/13/88/55/1196138855.db2.gz IDISTBBAVIGMRZ-RBUKOAKNSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415597 1196138856 /nfs/dbraw/zinc/13/88/56/1196138856.db2.gz IDISTBBAVIGMRZ-RBUKOAKNSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415597 1196138858 /nfs/dbraw/zinc/13/88/58/1196138858.db2.gz IDISTBBAVIGMRZ-RBUKOAKNSA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001657415597 1196138859 /nfs/dbraw/zinc/13/88/59/1196138859.db2.gz IDISTBBAVIGMRZ-RBUKOAKNSA-N 2 1 324.484 3.027 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657471573 1196145754 /nfs/dbraw/zinc/14/57/54/1196145754.db2.gz NTCDGBRPXHMUCJ-AZUAARDMSA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657471573 1196145758 /nfs/dbraw/zinc/14/57/58/1196145758.db2.gz NTCDGBRPXHMUCJ-AZUAARDMSA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](O)(c2ccccc2)C(C)C)C1 ZINC001657471573 1196145762 /nfs/dbraw/zinc/14/57/62/1196145762.db2.gz NTCDGBRPXHMUCJ-AZUAARDMSA-N 2 1 318.505 3.194 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C2 ZINC001657680358 1196169048 /nfs/dbraw/zinc/16/90/48/1196169048.db2.gz CTSLPQSIDIZUIA-WMZOPIPTSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H](C)C1 ZINC001657768414 1196177272 /nfs/dbraw/zinc/17/72/72/1196177272.db2.gz KPFHMZTULJYGRF-GIYDNNGJSA-N 2 1 316.489 3.168 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027767 1196204527 /nfs/dbraw/zinc/20/45/27/1196204527.db2.gz LTCLXDASGAHASS-QAPCUYQASA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027767 1196204532 /nfs/dbraw/zinc/20/45/32/1196204532.db2.gz LTCLXDASGAHASS-QAPCUYQASA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCCc2ccc(F)c(F)c2)C1 ZINC001658027767 1196204537 /nfs/dbraw/zinc/20/45/37/1196204537.db2.gz LTCLXDASGAHASS-QAPCUYQASA-N 2 1 308.416 3.314 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC001658185171 1196222534 /nfs/dbraw/zinc/22/25/34/1196222534.db2.gz ANTFHWHUZVHXRF-INIZCTEOSA-N 2 1 306.498 3.136 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1cn(C)nc1C1CC1)C1CCCCC1 ZINC001658237706 1196228314 /nfs/dbraw/zinc/22/83/14/1196228314.db2.gz GERXDKXBMCVPTQ-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1cn(C)nc1C1CC1)C1CCCCC1 ZINC001658237706 1196228319 /nfs/dbraw/zinc/22/83/19/1196228319.db2.gz GERXDKXBMCVPTQ-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@@H](C)O3)[C@H](C)C1 ZINC001658255807 1196231405 /nfs/dbraw/zinc/23/14/05/1196231405.db2.gz RRPYQHUZQFWEIZ-RKVPGOIHSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)[C@H](C)C1 ZINC001658255807 1196231408 /nfs/dbraw/zinc/23/14/08/1196231408.db2.gz RRPYQHUZQFWEIZ-RKVPGOIHSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@@H](C)O3)[C@H](C)C1 ZINC001658255807 1196231411 /nfs/dbraw/zinc/23/14/11/1196231411.db2.gz RRPYQHUZQFWEIZ-RKVPGOIHSA-N 2 1 302.462 3.172 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC001658311412 1196240289 /nfs/dbraw/zinc/24/02/89/1196240289.db2.gz XYKJLSYOHSWCEW-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001658487323 1196263308 /nfs/dbraw/zinc/26/33/08/1196263308.db2.gz ZGRTVSQQUJZTGL-AEFFLSMTSA-N 2 1 304.478 3.194 20 0 DGADMP CC[N@H+](Cc1ccc(OC)cc1OC)CC1CC[NH+](CC)CC1 ZINC001658514018 1196268341 /nfs/dbraw/zinc/26/83/41/1196268341.db2.gz RBUAPIUTNKRTOS-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC001659114667 1196347451 /nfs/dbraw/zinc/34/74/51/1196347451.db2.gz ILTULZOVOBVWGU-UHFFFAOYSA-N 2 1 306.450 3.143 20 0 DGADMP CCOc1cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC001659114667 1196347453 /nfs/dbraw/zinc/34/74/53/1196347453.db2.gz ILTULZOVOBVWGU-UHFFFAOYSA-N 2 1 306.450 3.143 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001659156106 1196353621 /nfs/dbraw/zinc/35/36/21/1196353621.db2.gz VNDIEENLDUBPGQ-HOTGVXAUSA-N 2 1 312.498 3.018 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301206 1196369207 /nfs/dbraw/zinc/36/92/07/1196369207.db2.gz VZXLZXMIBCYNRO-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301206 1196369212 /nfs/dbraw/zinc/36/92/12/1196369212.db2.gz VZXLZXMIBCYNRO-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301206 1196369216 /nfs/dbraw/zinc/36/92/16/1196369216.db2.gz VZXLZXMIBCYNRO-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301206 1196369220 /nfs/dbraw/zinc/36/92/20/1196369220.db2.gz VZXLZXMIBCYNRO-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP COc1cccc(C2CC([NH2+]CCCC[N@@H+](C)C3CC3)C2)c1 ZINC001659394058 1196378823 /nfs/dbraw/zinc/37/88/23/1196378823.db2.gz FAPBHKBZZLIISS-UHFFFAOYSA-N 2 1 302.462 3.405 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)CC1 ZINC001659514927 1196390563 /nfs/dbraw/zinc/39/05/63/1196390563.db2.gz FLKIOTFLKGDMRI-HNAYVOBHSA-N 2 1 320.452 3.319 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)CC1 ZINC001659514927 1196390568 /nfs/dbraw/zinc/39/05/68/1196390568.db2.gz FLKIOTFLKGDMRI-HNAYVOBHSA-N 2 1 320.452 3.319 20 0 DGADMP C[N@H+]1CCC[C@@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001659577812 1196397333 /nfs/dbraw/zinc/39/73/33/1196397333.db2.gz LCGHPXLRXFNOBX-QGZVFWFLSA-N 2 1 319.518 3.381 20 0 DGADMP CC(C)CC[NH+]1CCC(NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001659605381 1196399087 /nfs/dbraw/zinc/39/90/87/1196399087.db2.gz DQDQIDWYEWILDA-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1ccccc1SC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001659656318 1196403412 /nfs/dbraw/zinc/40/34/12/1196403412.db2.gz MCAAFBFCIXALNO-KBEGMRNHSA-N 2 1 304.503 3.215 20 0 DGADMP Cc1ccccc1SC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001659656318 1196403416 /nfs/dbraw/zinc/40/34/16/1196403416.db2.gz MCAAFBFCIXALNO-KBEGMRNHSA-N 2 1 304.503 3.215 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1C(C)=CCC[C@H]1C ZINC001659691476 1196406537 /nfs/dbraw/zinc/40/65/37/1196406537.db2.gz PAHUDZTZAOFEKB-VAMGGRTRSA-N 2 1 321.553 3.327 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)CC1 ZINC001659707930 1196407299 /nfs/dbraw/zinc/40/72/99/1196407299.db2.gz REVGVNBZTNFQQI-IBGZPJMESA-N 2 1 314.473 3.175 20 0 DGADMP COCC[N@H+](Cc1cc(C)cc(C)c1)CC1CC[NH+](C)CC1 ZINC001659716690 1196407851 /nfs/dbraw/zinc/40/78/51/1196407851.db2.gz PAGZUJXXLMZRAO-UHFFFAOYSA-N 2 1 304.478 3.094 20 0 DGADMP Oc1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1F ZINC001659901592 1196426848 /nfs/dbraw/zinc/42/68/48/1196426848.db2.gz AICUFFRCABIACQ-QGZVFWFLSA-N 2 1 311.360 3.259 20 0 DGADMP Cc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1C ZINC001659918328 1196428788 /nfs/dbraw/zinc/42/87/88/1196428788.db2.gz MCOXEBOLNFKUSB-GOSISDBHSA-N 2 1 309.457 3.452 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1N(C)C ZINC001660266906 1196464213 /nfs/dbraw/zinc/46/42/13/1196464213.db2.gz YBEGVWCQFIQBNB-AWEZNQCLSA-N 2 1 319.468 3.417 20 0 DGADMP CC(C)C1CCC(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC001660375542 1196477301 /nfs/dbraw/zinc/47/73/01/1196477301.db2.gz SEUGQCJDCNWIKN-CTWPCTMYSA-N 2 1 310.526 3.491 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001660886956 1196538962 /nfs/dbraw/zinc/53/89/62/1196538962.db2.gz OGLZWXJOMMNOBY-FHWLQOOXSA-N 2 1 316.489 3.420 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCN(C)c1ccccc1 ZINC001661088133 1196564172 /nfs/dbraw/zinc/56/41/72/1196564172.db2.gz JVYLVQRXCSRGIO-UHFFFAOYSA-N 2 1 312.461 3.154 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(OC)c1 ZINC001661657927 1196628763 /nfs/dbraw/zinc/62/87/63/1196628763.db2.gz VXYXIBPHUXDTOO-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2nccn21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188197 1196692127 /nfs/dbraw/zinc/69/21/27/1196692127.db2.gz PBZDGFGVHKAPKR-JKSUJKDBSA-N 2 1 312.461 3.077 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1ccc(OC)nc1)C1CCCCC1 ZINC001662808432 1196753943 /nfs/dbraw/zinc/75/39/43/1196753943.db2.gz PREOHEKIQQMEMP-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1ccc(OC)nc1)C1CCCCC1 ZINC001662808432 1196753944 /nfs/dbraw/zinc/75/39/44/1196753944.db2.gz PREOHEKIQQMEMP-UHFFFAOYSA-N 2 1 305.466 3.225 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)[C@@H]2C1 ZINC001663489210 1196885193 /nfs/dbraw/zinc/88/51/93/1196885193.db2.gz MTWIVYCBUYBCQC-YUTCNCBUSA-N 2 1 321.877 3.380 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC001664199657 1196979242 /nfs/dbraw/zinc/97/92/42/1196979242.db2.gz KVPWIXGZAFNHAF-FQEVSTJZSA-N 2 1 316.489 3.052 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC001664199658 1196979504 /nfs/dbraw/zinc/97/95/04/1196979504.db2.gz KVPWIXGZAFNHAF-HXUWFJFHSA-N 2 1 316.489 3.052 20 0 DGADMP CSCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC001664618939 1197022007 /nfs/dbraw/zinc/02/20/07/1197022007.db2.gz VVOGBZQGNZIYQT-ROUUACIJSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC001664618939 1197022011 /nfs/dbraw/zinc/02/20/11/1197022011.db2.gz VVOGBZQGNZIYQT-ROUUACIJSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC001664618939 1197022013 /nfs/dbraw/zinc/02/20/13/1197022013.db2.gz VVOGBZQGNZIYQT-ROUUACIJSA-N 2 1 304.503 3.466 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCOCc1ccccc1 ZINC001664640247 1197024406 /nfs/dbraw/zinc/02/44/06/1197024406.db2.gz PVGQXQRLLFFYSD-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCOCc1ccccc1 ZINC001664640247 1197024413 /nfs/dbraw/zinc/02/44/13/1197024413.db2.gz PVGQXQRLLFFYSD-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000080204786 1197043429 /nfs/dbraw/zinc/04/34/29/1197043429.db2.gz VUHXYMVGVXUPLF-OALUTQOASA-N 2 1 318.505 3.285 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001664879328 1197075282 /nfs/dbraw/zinc/07/52/82/1197075282.db2.gz QVOQHNMMCAAHJX-NUJGCVRESA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC001664879328 1197075287 /nfs/dbraw/zinc/07/52/87/1197075287.db2.gz QVOQHNMMCAAHJX-NUJGCVRESA-N 2 1 304.478 3.336 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277341 1197117916 /nfs/dbraw/zinc/11/79/16/1197117916.db2.gz OMDIXYZTWOXYJG-CGTJXYLNSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277341 1197117917 /nfs/dbraw/zinc/11/79/17/1197117917.db2.gz OMDIXYZTWOXYJG-CGTJXYLNSA-N 2 1 306.494 3.331 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4c(cccc4O)s3)[C@H]2C1 ZINC001665936977 1197218388 /nfs/dbraw/zinc/21/83/88/1197218388.db2.gz JLYLQIXPPOZOBD-CQDKDKBSSA-N 2 1 302.443 3.037 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000323072302 1197690632 /nfs/dbraw/zinc/69/06/32/1197690632.db2.gz OSRJUEZRMCOOIB-VIFPVBQESA-N 2 1 305.647 3.190 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000378919464 1197702572 /nfs/dbraw/zinc/70/25/72/1197702572.db2.gz CCUXMTUXRDLRHC-KBPBESRZSA-N 2 1 324.852 3.074 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000378919464 1197702573 /nfs/dbraw/zinc/70/25/73/1197702573.db2.gz CCUXMTUXRDLRHC-KBPBESRZSA-N 2 1 324.852 3.074 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063575 1197723393 /nfs/dbraw/zinc/72/33/93/1197723393.db2.gz WZEQVMBHQWWVMY-UZLBHIALSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000398063575 1197723401 /nfs/dbraw/zinc/72/34/01/1197723401.db2.gz WZEQVMBHQWWVMY-UZLBHIALSA-N 2 1 310.441 3.392 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000300527350 1199365126 /nfs/dbraw/zinc/36/51/26/1199365126.db2.gz IEYVBIIEHZLBAB-TZMCWYRMSA-N 2 1 311.267 3.051 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000103173938 1199483566 /nfs/dbraw/zinc/48/35/66/1199483566.db2.gz XSFMUABYNLMRDL-HXUWFJFHSA-N 2 1 324.468 3.349 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000105457257 1199542091 /nfs/dbraw/zinc/54/20/91/1199542091.db2.gz OKMFBMKIFLSUOC-QGZVFWFLSA-N 2 1 312.461 3.082 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000105457257 1199542092 /nfs/dbraw/zinc/54/20/92/1199542092.db2.gz OKMFBMKIFLSUOC-QGZVFWFLSA-N 2 1 312.461 3.082 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000108428782 1199604447 /nfs/dbraw/zinc/60/44/47/1199604447.db2.gz QSDBCAXXLUBDFR-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000112096389 1199642262 /nfs/dbraw/zinc/64/22/62/1199642262.db2.gz XWUATPCPAPCQGS-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309847571 1199709479 /nfs/dbraw/zinc/70/94/79/1199709479.db2.gz YSPOSCOKVUXFFZ-HXUWFJFHSA-N 2 1 309.457 3.392 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309847571 1199709489 /nfs/dbraw/zinc/70/94/89/1199709489.db2.gz YSPOSCOKVUXFFZ-HXUWFJFHSA-N 2 1 309.457 3.392 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C12CCCCC2 ZINC000315921964 1199811498 /nfs/dbraw/zinc/81/14/98/1199811498.db2.gz FLQGGQQBTYGUEJ-RCCFBDPRSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)[NH+]1CCC(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000119130382 1200026988 /nfs/dbraw/zinc/02/69/88/1200026988.db2.gz ZKGRHLGQOOAKKU-FQEVSTJZSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000119130382 1200026994 /nfs/dbraw/zinc/02/69/94/1200026994.db2.gz ZKGRHLGQOOAKKU-FQEVSTJZSA-N 2 1 315.505 3.113 20 0 DGADMP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753993937 1200063701 /nfs/dbraw/zinc/06/37/01/1200063701.db2.gz ZBZHOPVMLKMAJZ-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754063111 1200091415 /nfs/dbraw/zinc/09/14/15/1200091415.db2.gz BLGNMSHQJVPESS-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC000119735220 1200113430 /nfs/dbraw/zinc/11/34/30/1200113430.db2.gz YCFBLVNVLOYCRE-UHFFFAOYSA-N 2 1 320.383 3.195 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120655222 1200164805 /nfs/dbraw/zinc/16/48/05/1200164805.db2.gz VLRKYPUJOUUREC-APWZRJJASA-N 2 1 304.478 3.168 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000120852243 1200176448 /nfs/dbraw/zinc/17/64/48/1200176448.db2.gz NNHPNLZWFRCGPA-QGZVFWFLSA-N 2 1 320.477 3.161 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1OC ZINC000120852088 1200176560 /nfs/dbraw/zinc/17/65/60/1200176560.db2.gz FWEIAYPLDOLZRP-INIZCTEOSA-N 2 1 320.477 3.161 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1OC ZINC000120852088 1200176564 /nfs/dbraw/zinc/17/65/64/1200176564.db2.gz FWEIAYPLDOLZRP-INIZCTEOSA-N 2 1 320.477 3.161 20 0 DGADMP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754326156 1200217290 /nfs/dbraw/zinc/21/72/90/1200217290.db2.gz DLLQRPZKHVIIFL-ZGKJDNBHSA-N 2 1 323.525 3.044 20 0 DGADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000121938988 1200250635 /nfs/dbraw/zinc/25/06/35/1200250635.db2.gz HXKHHWOFJDMCJD-INIZCTEOSA-N 2 1 317.477 3.258 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000122529108 1200268322 /nfs/dbraw/zinc/26/83/22/1200268322.db2.gz BVNPELKIPICZCN-HNNXBMFYSA-N 2 1 313.420 3.319 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000122529108 1200268330 /nfs/dbraw/zinc/26/83/30/1200268330.db2.gz BVNPELKIPICZCN-HNNXBMFYSA-N 2 1 313.420 3.319 20 0 DGADMP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001754622303 1200400897 /nfs/dbraw/zinc/40/08/97/1200400897.db2.gz MJQYHTQMDFINLJ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001690447263 1200562850 /nfs/dbraw/zinc/56/28/50/1200562850.db2.gz ZCWNZWOUYXLGTI-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001690447263 1200562854 /nfs/dbraw/zinc/56/28/54/1200562854.db2.gz ZCWNZWOUYXLGTI-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690447263 1200562857 /nfs/dbraw/zinc/56/28/57/1200562857.db2.gz ZCWNZWOUYXLGTI-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001690459975 1200575025 /nfs/dbraw/zinc/57/50/25/1200575025.db2.gz WUZVSXGBKDIFSF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001690459975 1200575032 /nfs/dbraw/zinc/57/50/32/1200575032.db2.gz WUZVSXGBKDIFSF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001690459975 1200575040 /nfs/dbraw/zinc/57/50/40/1200575040.db2.gz WUZVSXGBKDIFSF-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690468964 1200578374 /nfs/dbraw/zinc/57/83/74/1200578374.db2.gz ZBKLZPNVZZTJQD-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000136483707 1201213618 /nfs/dbraw/zinc/21/36/18/1201213618.db2.gz OMBFSEITCMFSKE-OAQYLSRUSA-N 2 1 324.468 3.283 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001699635208 1202001497 /nfs/dbraw/zinc/00/14/97/1202001497.db2.gz OOGFVCGGRFBFMW-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001699635208 1202001522 /nfs/dbraw/zinc/00/15/22/1202001522.db2.gz OOGFVCGGRFBFMW-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001699635208 1202001525 /nfs/dbraw/zinc/00/15/25/1202001525.db2.gz OOGFVCGGRFBFMW-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1CC)[NH+](CC)CC ZINC001707201650 1202576366 /nfs/dbraw/zinc/57/63/66/1202576366.db2.gz XXBFDZBUJZLVTG-RCCFBDPRSA-N 2 1 323.525 3.042 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000151391758 1202592320 /nfs/dbraw/zinc/59/23/20/1202592320.db2.gz NLNXDTJXUTWXFS-UHFFFAOYSA-N 2 1 316.424 3.180 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151673571 1202592991 /nfs/dbraw/zinc/59/29/91/1202592991.db2.gz PRXNRZCJBGHOQV-AWEZNQCLSA-N 2 1 316.424 3.037 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000158174386 1202603376 /nfs/dbraw/zinc/60/33/76/1202603376.db2.gz DLKADWKUOOQZOT-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000234359004 1202603673 /nfs/dbraw/zinc/60/36/73/1202603673.db2.gz WEVFBLCIXKLGEW-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000234359004 1202603674 /nfs/dbraw/zinc/60/36/74/1202603674.db2.gz WEVFBLCIXKLGEW-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC=C(C)C ZINC001713002271 1202609488 /nfs/dbraw/zinc/60/94/88/1202609488.db2.gz JCTIACHOBPFANZ-ROUUACIJSA-N 2 1 323.525 3.044 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000236860842 1202629516 /nfs/dbraw/zinc/62/95/16/1202629516.db2.gz UJJLCZDQEZCXLE-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000236864624 1202630586 /nfs/dbraw/zinc/63/05/86/1202630586.db2.gz UJJLCZDQEZCXLE-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCN(CCC[NH2+]C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000237203495 1202657225 /nfs/dbraw/zinc/65/72/25/1202657225.db2.gz LSWCUVTYVQZCQQ-HXUWFJFHSA-N 2 1 315.505 3.288 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001714493282 1202961444 /nfs/dbraw/zinc/96/14/44/1202961444.db2.gz NFGAEOAYPJAVKV-KRWDZBQOSA-N 2 1 323.525 3.068 20 0 DGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001716713031 1203530420 /nfs/dbraw/zinc/53/04/20/1203530420.db2.gz JMWAUTBBQMAFEJ-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001716713031 1203530422 /nfs/dbraw/zinc/53/04/22/1203530422.db2.gz JMWAUTBBQMAFEJ-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCCC1 ZINC001716713031 1203530424 /nfs/dbraw/zinc/53/04/24/1203530424.db2.gz JMWAUTBBQMAFEJ-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001717196542 1203597435 /nfs/dbraw/zinc/59/74/35/1203597435.db2.gz GIWUTGFPBZJUMX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717196542 1203597439 /nfs/dbraw/zinc/59/74/39/1203597439.db2.gz GIWUTGFPBZJUMX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001717196542 1203597441 /nfs/dbraw/zinc/59/74/41/1203597441.db2.gz GIWUTGFPBZJUMX-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717304654 1203615749 /nfs/dbraw/zinc/61/57/49/1203615749.db2.gz NUQBIYYPXGMGNU-CMDGGOBGSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001717837926 1203719300 /nfs/dbraw/zinc/71/93/00/1203719300.db2.gz PXSAPIJNKLKBRV-ZHALLVOQSA-N 2 1 323.525 3.020 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247973700 1203790208 /nfs/dbraw/zinc/79/02/08/1203790208.db2.gz HORRILVJTPLSCZ-YQQAZPJKSA-N 2 1 310.507 3.392 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247973700 1203790209 /nfs/dbraw/zinc/79/02/09/1203790209.db2.gz HORRILVJTPLSCZ-YQQAZPJKSA-N 2 1 310.507 3.392 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC(C)C)c1 ZINC000166820376 1203810226 /nfs/dbraw/zinc/81/02/26/1203810226.db2.gz QGFDYNITUAENGB-QZTJIDSGSA-N 2 1 302.462 3.499 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC(C)C)c1 ZINC000166820376 1203810229 /nfs/dbraw/zinc/81/02/29/1203810229.db2.gz QGFDYNITUAENGB-QZTJIDSGSA-N 2 1 302.462 3.499 20 0 DGADMP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001725398764 1204145423 /nfs/dbraw/zinc/14/54/23/1204145423.db2.gz ABSUWALOKYEIHA-WMZOPIPTSA-N 2 1 323.525 3.066 20 0 DGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001731487384 1204428661 /nfs/dbraw/zinc/42/86/61/1204428661.db2.gz IDNKQDYWMKWNPT-FGTMMUONSA-N 2 1 323.525 3.066 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2[nH+]ccc3[nH]ccc32)c1 ZINC001164939093 721911502 /nfs/dbraw/zinc/91/15/02/721911502.db2.gz MFPLSTBFSHYGHG-OKILXGFUSA-N 2 1 324.453 3.478 20 0 DGADMP Cc1cc2cc(N3CCCc4ccc(C[NH3+])nc43)ccc2c[nH+]1 ZINC001169591822 1081599872 /nfs/dbraw/zinc/59/98/72/1081599872.db2.gz ONMIORCKIWFUEV-UHFFFAOYSA-N 2 1 304.397 3.481 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206013441 1081601574 /nfs/dbraw/zinc/60/15/74/1081601574.db2.gz RDUIZBIBUWPQFG-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP CN1CCC([N@@H+](CC2(C)CC[NH+](C)CC2)C2CCCC2)CC1 ZINC001208115700 1081606788 /nfs/dbraw/zinc/60/67/88/1081606788.db2.gz KFRMWVYYCLRTBF-UHFFFAOYSA-N 2 1 307.526 3.057 20 0 DGADMP CC(C)CCC[N@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001208734900 1081644813 /nfs/dbraw/zinc/64/48/13/1081644813.db2.gz OQGMEDMXYPRHQL-UHFFFAOYSA-N 2 1 306.498 3.320 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208921164 1081667562 /nfs/dbraw/zinc/66/75/62/1081667562.db2.gz VCLWQEMRDCIPQS-GOSISDBHSA-N 2 1 316.489 3.446 20 0 DGADMP CCC(=O)C(C)(C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208921164 1081667563 /nfs/dbraw/zinc/66/75/63/1081667563.db2.gz VCLWQEMRDCIPQS-GOSISDBHSA-N 2 1 316.489 3.446 20 0 DGADMP CCC(=O)C(C)(C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208921164 1081667564 /nfs/dbraw/zinc/66/75/64/1081667564.db2.gz VCLWQEMRDCIPQS-GOSISDBHSA-N 2 1 316.489 3.446 20 0 DGADMP CCC(=O)C(C)(C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208921164 1081667566 /nfs/dbraw/zinc/66/75/66/1081667566.db2.gz VCLWQEMRDCIPQS-GOSISDBHSA-N 2 1 316.489 3.446 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC001648818890 1081932134 /nfs/dbraw/zinc/93/21/34/1081932134.db2.gz MHOJBPFZMUVIRM-WOJBJXKFSA-N 2 1 307.441 3.465 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)c2)c1 ZINC001648818890 1081932138 /nfs/dbraw/zinc/93/21/38/1081932138.db2.gz MHOJBPFZMUVIRM-WOJBJXKFSA-N 2 1 307.441 3.465 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001109969770 1081941172 /nfs/dbraw/zinc/94/11/72/1081941172.db2.gz YUUVJJNOCBXIMB-SQNIBIBYSA-N 2 1 323.525 3.019 20 0 DGADMP CCc1ccc([C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC001170037956 1081946873 /nfs/dbraw/zinc/94/68/73/1081946873.db2.gz BMPXDWFHDWTQFS-WOJBJXKFSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC001170037956 1081946879 /nfs/dbraw/zinc/94/68/79/1081946879.db2.gz BMPXDWFHDWTQFS-WOJBJXKFSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc([C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001170037956 1081946882 /nfs/dbraw/zinc/94/68/82/1081946882.db2.gz BMPXDWFHDWTQFS-WOJBJXKFSA-N 2 1 318.505 3.130 20 0 DGADMP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397617483 1081949097 /nfs/dbraw/zinc/94/90/97/1081949097.db2.gz HLXGEKKDNMUEAW-KDURUIRLSA-N 2 1 312.457 3.095 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2cccc(Br)c2)C[C@H]1[NH3+] ZINC001206035570 1082022500 /nfs/dbraw/zinc/02/25/00/1082022500.db2.gz CLZSVMIEXJHVPV-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)C[C@H]1[NH3+] ZINC001206035570 1082022506 /nfs/dbraw/zinc/02/25/06/1082022506.db2.gz CLZSVMIEXJHVPV-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000073650618 1082051356 /nfs/dbraw/zinc/05/13/56/1082051356.db2.gz SUHIOSLREWAUCR-FQEVSTJZSA-N 2 1 322.452 3.244 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192837 1082310746 /nfs/dbraw/zinc/31/07/46/1082310746.db2.gz KWZXBMRGGXKXFY-NCXUSEDFSA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196988 1082316704 /nfs/dbraw/zinc/31/67/04/1082316704.db2.gz UVTXDSRPVGISGW-VJANTYMQSA-N 2 1 317.477 3.111 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC23CCOCC3)C[C@@H]1C ZINC001167586628 1082566713 /nfs/dbraw/zinc/56/67/13/1082566713.db2.gz PBJKYWRLVHFNAH-BZSNNMDCSA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC23CCOCC3)C[C@@H]1C ZINC001167586628 1082566720 /nfs/dbraw/zinc/56/67/20/1082566720.db2.gz PBJKYWRLVHFNAH-BZSNNMDCSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)=CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001267512463 1082972066 /nfs/dbraw/zinc/97/20/66/1082972066.db2.gz KVIQXHAORRFYHC-QZTJIDSGSA-N 2 1 323.525 3.042 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000708857786 1083104817 /nfs/dbraw/zinc/10/48/17/1083104817.db2.gz KSMLVYJKCVIIPR-QFBILLFUSA-N 2 1 310.441 3.292 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001167697444 1083104933 /nfs/dbraw/zinc/10/49/33/1083104933.db2.gz ZNCQNTCMMOEDMW-QGZVFWFLSA-N 2 1 321.428 3.036 20 0 DGADMP CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)C[C@@H]21 ZINC001170716774 1083223142 /nfs/dbraw/zinc/22/31/42/1083223142.db2.gz WRYPGDHJGNHHBP-LDLYASANSA-N 2 1 314.473 3.043 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001207483077 1083439598 /nfs/dbraw/zinc/43/95/98/1083439598.db2.gz CWHGBKUVOWOLDD-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CCC3CC[NH+](C)CC3)C2)cc1 ZINC001207487473 1083543221 /nfs/dbraw/zinc/54/32/21/1083543221.db2.gz KEFYWWYRIHHLHF-SFHVURJKSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205255173 1083879022 /nfs/dbraw/zinc/87/90/22/1083879022.db2.gz HQULAYREJVJNMJ-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccc1Br ZINC001205266466 1083943373 /nfs/dbraw/zinc/94/33/73/1083943373.db2.gz VBDNZOWSSZPVTG-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1Br ZINC001205266466 1083943380 /nfs/dbraw/zinc/94/33/80/1083943380.db2.gz VBDNZOWSSZPVTG-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563595 1083950881 /nfs/dbraw/zinc/95/08/81/1083950881.db2.gz XHGBIDAUWHIDBT-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP C[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCN1c1cc[nH+]cc1 ZINC001183550654 1083968335 /nfs/dbraw/zinc/96/83/35/1083968335.db2.gz KNQNALPKSFZVRA-YPQKKHBXSA-N 2 1 311.404 3.445 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274279 1083971570 /nfs/dbraw/zinc/97/15/70/1083971570.db2.gz UTOJVHDAPWPJTF-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274279 1083971573 /nfs/dbraw/zinc/97/15/73/1083971573.db2.gz UTOJVHDAPWPJTF-HNNXBMFYSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001183532581 1083971774 /nfs/dbraw/zinc/97/17/74/1083971774.db2.gz DZIKVSRFJWKAEG-IMMZDGJCSA-N 2 1 311.404 3.445 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001167825842 1084117975 /nfs/dbraw/zinc/11/79/75/1084117975.db2.gz LBGRRDARXRACPI-HNNXBMFYSA-N 2 1 318.461 3.299 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001167825842 1084117979 /nfs/dbraw/zinc/11/79/79/1084117979.db2.gz LBGRRDARXRACPI-HNNXBMFYSA-N 2 1 318.461 3.299 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(c2cccnc2)CC1 ZINC001167834148 1084149290 /nfs/dbraw/zinc/14/92/90/1084149290.db2.gz IELGZSSAYFJROW-SFHVURJKSA-N 2 1 318.509 3.104 20 0 DGADMP CCCCOC(=O)[C@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167835911 1084159741 /nfs/dbraw/zinc/15/97/41/1084159741.db2.gz VWPVRLJJHDKLRH-IRXDYDNUSA-N 2 1 312.498 3.162 20 0 DGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC001184387335 1084168921 /nfs/dbraw/zinc/16/89/21/1084168921.db2.gz JSKOOXYMFLEPOI-INDMIFKZSA-N 2 1 302.462 3.083 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001167841080 1084176318 /nfs/dbraw/zinc/17/63/18/1084176318.db2.gz KCVBQXSRFUQSQR-AZUAARDMSA-N 2 1 318.505 3.440 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC001205296846 1084182779 /nfs/dbraw/zinc/18/27/79/1084182779.db2.gz UZGRATOAWLGLHG-AAEUAGOBSA-N 2 1 301.261 3.453 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306739 1084240925 /nfs/dbraw/zinc/24/09/25/1084240925.db2.gz ZOLFHTKRGQAMFK-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306739 1084240934 /nfs/dbraw/zinc/24/09/34/1084240934.db2.gz ZOLFHTKRGQAMFK-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Br ZINC001139731366 1084279469 /nfs/dbraw/zinc/27/94/69/1084279469.db2.gz LTXOHGZCVUCPBU-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP Fc1cc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cnc1Cl ZINC001204674558 1084281002 /nfs/dbraw/zinc/28/10/02/1084281002.db2.gz AWXFQEYIJHMHPD-UHFFFAOYSA-N 2 1 319.811 3.336 20 0 DGADMP Fc1cc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cnc1Cl ZINC001204674558 1084281009 /nfs/dbraw/zinc/28/10/09/1084281009.db2.gz AWXFQEYIJHMHPD-UHFFFAOYSA-N 2 1 319.811 3.336 20 0 DGADMP CCc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(CC)n1 ZINC001184865420 1084282212 /nfs/dbraw/zinc/28/22/12/1084282212.db2.gz POEVHMGXTOXKPI-GASCZTMLSA-N 2 1 304.482 3.381 20 0 DGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692920317 1084285863 /nfs/dbraw/zinc/28/58/63/1084285863.db2.gz DPHKKYZJTRSSSQ-ZIAGYGMSSA-N 2 1 305.293 3.282 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001185554499 1084468366 /nfs/dbraw/zinc/46/83/66/1084468366.db2.gz CMIYDTRCNBYWOX-CYBMUJFWSA-N 2 1 313.367 3.199 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940655 1084864477 /nfs/dbraw/zinc/86/44/77/1084864477.db2.gz ZMKVAPBVUZRMEJ-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940655 1084864487 /nfs/dbraw/zinc/86/44/87/1084864487.db2.gz ZMKVAPBVUZRMEJ-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709991576 1084891127 /nfs/dbraw/zinc/89/11/27/1084891127.db2.gz IPPOVKHZDMQFFR-CYBMUJFWSA-N 2 1 323.278 3.066 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1F ZINC001167966445 1085877893 /nfs/dbraw/zinc/87/78/93/1085877893.db2.gz VOGPUJJGDUBDHE-ALOPSCKCSA-N 2 1 318.436 3.329 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167966445 1085877895 /nfs/dbraw/zinc/87/78/95/1085877895.db2.gz VOGPUJJGDUBDHE-ALOPSCKCSA-N 2 1 318.436 3.329 20 0 DGADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2cccnc12 ZINC001167968211 1085895529 /nfs/dbraw/zinc/89/55/29/1085895529.db2.gz OASZSMVZVFHEPG-JWTNVVGKSA-N 2 1 324.472 3.115 20 0 DGADMP CC(C)(C)OC(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968560 1085896898 /nfs/dbraw/zinc/89/68/98/1085896898.db2.gz RMKOJEAPHGZGHL-ALOPSCKCSA-N 2 1 322.493 3.103 20 0 DGADMP c1ccc2c(c1)COC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970561 1085903693 /nfs/dbraw/zinc/90/36/93/1085903693.db2.gz MXNJSYRRSPMSFJ-DLZDZTESSA-N 2 1 312.457 3.253 20 0 DGADMP c1ccc2c(c1)COC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970561 1085903702 /nfs/dbraw/zinc/90/37/02/1085903702.db2.gz MXNJSYRRSPMSFJ-DLZDZTESSA-N 2 1 312.457 3.253 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167981850 1085933653 /nfs/dbraw/zinc/93/36/53/1085933653.db2.gz NFJNFLYZZKIWQB-BLMTVLTRSA-N 3 1 319.537 3.233 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167981850 1085933660 /nfs/dbraw/zinc/93/36/60/1085933660.db2.gz NFJNFLYZZKIWQB-BLMTVLTRSA-N 3 1 319.537 3.233 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167981850 1085933667 /nfs/dbraw/zinc/93/36/67/1085933667.db2.gz NFJNFLYZZKIWQB-BLMTVLTRSA-N 3 1 319.537 3.233 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC3(CCOCC3)CC1)C2 ZINC001167994760 1086060309 /nfs/dbraw/zinc/06/03/09/1086060309.db2.gz NNIQHQHWOYAFNR-DFNIBXOVSA-N 2 1 318.505 3.284 20 0 DGADMP CCOCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994678 1086061986 /nfs/dbraw/zinc/06/19/86/1086061986.db2.gz KCOYLGCJKFERIY-DFNIBXOVSA-N 2 1 306.494 3.140 20 0 DGADMP c1cc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)ccn1 ZINC001167995627 1086064862 /nfs/dbraw/zinc/06/48/62/1086064862.db2.gz LSHFVTPJEDAYTJ-WRURNZQNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cc([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995627 1086064873 /nfs/dbraw/zinc/06/48/73/1086064873.db2.gz LSHFVTPJEDAYTJ-WRURNZQNSA-N 2 1 311.473 3.276 20 0 DGADMP c1cc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995627 1086064879 /nfs/dbraw/zinc/06/48/79/1086064879.db2.gz LSHFVTPJEDAYTJ-WRURNZQNSA-N 2 1 311.473 3.276 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005516 1086148295 /nfs/dbraw/zinc/14/82/95/1086148295.db2.gz JFJNQXCFSACRTG-PIKOESSRSA-N 2 1 318.505 3.425 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CCO1 ZINC001204754999 1086160310 /nfs/dbraw/zinc/16/03/10/1086160310.db2.gz COFNQXGIKUHACU-LJQANCHMSA-N 2 1 302.462 3.284 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168009120 1086175811 /nfs/dbraw/zinc/17/58/11/1086175811.db2.gz GYABSUUDNWHSBR-QZTJIDSGSA-N 2 1 317.521 3.487 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168009120 1086175817 /nfs/dbraw/zinc/17/58/17/1086175817.db2.gz GYABSUUDNWHSBR-QZTJIDSGSA-N 2 1 317.521 3.487 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168013714 1086257180 /nfs/dbraw/zinc/25/71/80/1086257180.db2.gz IRJVBODYAYJUTF-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032932 1086467282 /nfs/dbraw/zinc/46/72/82/1086467282.db2.gz JNHWLZMPECBPOJ-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040036 1086500418 /nfs/dbraw/zinc/50/04/18/1086500418.db2.gz JXLLLBGMBZFPJX-YLAKUSLOSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040036 1086500427 /nfs/dbraw/zinc/50/04/27/1086500427.db2.gz JXLLLBGMBZFPJX-YLAKUSLOSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCCC[C@@H]2CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040659 1086502885 /nfs/dbraw/zinc/50/28/85/1086502885.db2.gz NWDRMILRNIPQMM-ZHALLVOQSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCCC[C@@H]2CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040659 1086502893 /nfs/dbraw/zinc/50/28/93/1086502893.db2.gz NWDRMILRNIPQMM-ZHALLVOQSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041644 1086510606 /nfs/dbraw/zinc/51/06/06/1086510606.db2.gz VADVQVIZECDGME-BMFAXAFESA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1[C@H](CO)CC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041644 1086510611 /nfs/dbraw/zinc/51/06/11/1086510611.db2.gz VADVQVIZECDGME-BMFAXAFESA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H]2CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067926 1086713792 /nfs/dbraw/zinc/71/37/92/1086713792.db2.gz VDDYHKKBJKBLFY-QQXMDYFESA-N 2 1 314.473 3.291 20 0 DGADMP CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001088338309 1086822092 /nfs/dbraw/zinc/82/20/92/1086822092.db2.gz BDODLJZYVVFSGJ-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001168128552 1086956667 /nfs/dbraw/zinc/95/66/67/1086956667.db2.gz RKBPYCIPTHLODA-VQIMIIECSA-N 2 1 302.462 3.150 20 0 DGADMP CC1CCC(N2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)CC1 ZINC001168322782 1087293324 /nfs/dbraw/zinc/29/33/24/1087293324.db2.gz HYTNXXCEFWQQSQ-UHFFFAOYSA-N 2 1 307.526 3.056 20 0 DGADMP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H](c2ccccc2)CO1 ZINC001168329968 1087296057 /nfs/dbraw/zinc/29/60/57/1087296057.db2.gz LRMNETVMRQTOOV-GWFLUQINSA-N 2 1 302.462 3.321 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000690736681 1087591926 /nfs/dbraw/zinc/59/19/26/1087591926.db2.gz CNPDPQJDSMNTFV-JTQLQIEISA-N 2 1 317.658 3.273 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)[C@H](C)C1 ZINC001168419893 1087599975 /nfs/dbraw/zinc/59/99/75/1087599975.db2.gz FNLARDTUXWVFBZ-CCKFTAQKSA-N 2 1 304.453 3.391 20 0 DGADMP CC1(C)C[C@@H](Nc2nc(NC3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158259135 1087747315 /nfs/dbraw/zinc/74/73/15/1087747315.db2.gz FOMHFNSITJXYAS-DYVFJYSZSA-N 2 1 303.454 3.007 20 0 DGADMP CC(=O)Nc1c(C)cc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158267256 1087751865 /nfs/dbraw/zinc/75/18/65/1087751865.db2.gz VWMQVLMSZGWZJG-KSSFIOAISA-N 2 1 318.465 3.304 20 0 DGADMP C[C@@H]1C[C@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c2ccccc21 ZINC001158472467 1087849462 /nfs/dbraw/zinc/84/94/62/1087849462.db2.gz NJKPGDQZKZXPDM-DYVFJYSZSA-N 2 1 323.444 3.065 20 0 DGADMP Cc1c(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1Br ZINC001205116601 1088004400 /nfs/dbraw/zinc/00/44/00/1088004400.db2.gz DPLRWTYAZGIIKC-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1c(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1Br ZINC001205116601 1088004412 /nfs/dbraw/zinc/00/44/12/1088004412.db2.gz DPLRWTYAZGIIKC-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1C ZINC001206647847 1088278986 /nfs/dbraw/zinc/27/89/86/1088278986.db2.gz JZGXKLSYQYYTNB-MRXNPFEDSA-N 2 1 305.466 3.130 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150511 1088335140 /nfs/dbraw/zinc/33/51/40/1088335140.db2.gz DMNQILSZXUSYTF-SMDDNHRTSA-N 2 1 311.267 3.038 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150511 1088335144 /nfs/dbraw/zinc/33/51/44/1088335144.db2.gz DMNQILSZXUSYTF-SMDDNHRTSA-N 2 1 311.267 3.038 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235433968 1088341011 /nfs/dbraw/zinc/34/10/11/1088341011.db2.gz TYAOQXWYWSDDLV-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP c1[nH]c2ccc(Nc3ccc(OC4CC[NH2+]CC4)cc3)cc2[nH+]1 ZINC001159622501 1088422444 /nfs/dbraw/zinc/42/24/44/1088422444.db2.gz PHXXHHWBJBELNM-UHFFFAOYSA-N 2 1 308.385 3.437 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001159921030 1088550716 /nfs/dbraw/zinc/55/07/16/1088550716.db2.gz YRWCWWYHRNDZQV-ZDUSSCGKSA-N 2 1 323.318 3.007 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580316 1088660473 /nfs/dbraw/zinc/66/04/73/1088660473.db2.gz TWCXQYQUYDQMQW-KBOKABMXSA-N 2 1 323.525 3.044 20 0 DGADMP Fc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160163789 1088679190 /nfs/dbraw/zinc/67/91/90/1088679190.db2.gz KMGILOSLEMRGMB-CYBMUJFWSA-N 2 1 312.348 3.186 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236215164 1088713283 /nfs/dbraw/zinc/71/32/83/1088713283.db2.gz WQPMXFWEQNNIHL-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236215164 1088713294 /nfs/dbraw/zinc/71/32/94/1088713294.db2.gz WQPMXFWEQNNIHL-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001160473016 1088822375 /nfs/dbraw/zinc/82/23/75/1088822375.db2.gz PXCIDJLNSBWEPY-NNZMDNLPSA-N 2 1 314.477 3.105 20 0 DGADMP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160741102 1088939801 /nfs/dbraw/zinc/93/98/01/1088939801.db2.gz QEJDSHBYWPHFCJ-KBPBESRZSA-N 2 1 309.335 3.496 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@H]2C[NH2+][C@H](C)C2)nc1 ZINC001155101344 1088946507 /nfs/dbraw/zinc/94/65/07/1088946507.db2.gz BBOVWBFMWCQOBE-NUJGCVRESA-N 2 1 316.493 3.429 20 0 DGADMP CC[N@@H+](CCc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236407088 1089046681 /nfs/dbraw/zinc/04/66/81/1089046681.db2.gz BFQLMGNQXSQXCW-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP c1cc(NCC2CC[NH+](C3CCOCC3)CC2)[nH+]c(C2CC2)c1 ZINC001161240832 1089162855 /nfs/dbraw/zinc/16/28/55/1089162855.db2.gz FFMNADMWUVIZPR-UHFFFAOYSA-N 2 1 315.461 3.262 20 0 DGADMP Cc1c[nH+]c(NCC2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC001161236641 1089163097 /nfs/dbraw/zinc/16/30/97/1089163097.db2.gz QYGUKQIEQUPHKD-UHFFFAOYSA-N 2 1 303.450 3.001 20 0 DGADMP C[C@H](CCc1ccccc1)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001161613517 1089308997 /nfs/dbraw/zinc/30/89/97/1089308997.db2.gz YOKJRQAAVRPZKG-OAHLLOKOSA-N 2 1 320.440 3.454 20 0 DGADMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)nc2c(Cl)cccc12 ZINC001161870723 1089444790 /nfs/dbraw/zinc/44/47/90/1089444790.db2.gz NNVKDXYRJCHSPF-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP Cc1cccc2cc(Cl)nc(NCC[NH+]3CCC([NH3+])CC3)c12 ZINC001161873123 1089449002 /nfs/dbraw/zinc/44/90/02/1089449002.db2.gz XJRGJSJFPLSELD-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP [NH3+][C@@H]1CCC[C@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC001162402677 1089717068 /nfs/dbraw/zinc/71/70/68/1089717068.db2.gz VLHSWYZCGQVWKN-NEPJUHHUSA-N 2 1 320.234 3.101 20 0 DGADMP Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]1 ZINC001162452491 1089738485 /nfs/dbraw/zinc/73/84/85/1089738485.db2.gz FMPIWYGOWRQQSF-CMPLNLGQSA-N 2 1 301.356 3.456 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001162459043 1089742902 /nfs/dbraw/zinc/74/29/02/1089742902.db2.gz BOGWOYFERUFBLL-NUJGCVRESA-N 2 1 316.493 3.286 20 0 DGADMP CC(C)[PH+](CCNC(=O)c1ccc2[nH]c(N)[nH+]c2c1)C(C)C ZINC001156977039 1089772289 /nfs/dbraw/zinc/77/22/89/1089772289.db2.gz KUPBVYWFWKEMIL-UHFFFAOYSA-N 2 1 320.377 3.174 20 0 DGADMP C[N@@H+](Cc1ccc(Nc2ccc(C[NH3+])c(F)c2)nc1)C1CC1 ZINC001162528818 1089774835 /nfs/dbraw/zinc/77/48/35/1089774835.db2.gz OHWXOGQPOUNKCM-UHFFFAOYSA-N 2 1 300.381 3.017 20 0 DGADMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001162777972 1089949484 /nfs/dbraw/zinc/94/94/84/1089949484.db2.gz GDAPMBLFGGSUKQ-GDBMZVCRSA-N 2 1 320.440 3.464 20 0 DGADMP CCCCc1nc(NCc2ccc3c(c2)CC[NH2+]C3)cc(C)[nH+]1 ZINC001162803405 1089964153 /nfs/dbraw/zinc/96/41/53/1089964153.db2.gz VKNZTUKERHYKRC-UHFFFAOYSA-N 2 1 310.445 3.385 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC2C[NH+](C(C)C)C2)nc1 ZINC001157529567 1090010842 /nfs/dbraw/zinc/01/08/42/1090010842.db2.gz HUXLYVKHCHCPTC-QGZVFWFLSA-N 2 1 302.466 3.133 20 0 DGADMP CC(C)(C)c1cc[nH+]c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162965931 1090038662 /nfs/dbraw/zinc/03/86/62/1090038662.db2.gz CEAATGFLHCIYPT-MRXNPFEDSA-N 2 1 317.477 3.340 20 0 DGADMP COc1ccc2c(cc[nH+]c2Nc2ccc([C@@H](C[NH3+])CO)cc2)c1 ZINC001163054256 1090064287 /nfs/dbraw/zinc/06/42/87/1090064287.db2.gz XILXBSJQFBHVJD-HNNXBMFYSA-N 2 1 323.396 3.022 20 0 DGADMP CC/C=C/CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485357830 1090133105 /nfs/dbraw/zinc/13/31/05/1090133105.db2.gz LXOKSYFKKGYFCI-IKSUFZCESA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c(C)n(-c2c[nH+]c3c(c2)CCCN3)c2ccc(C[NH3+])cc12 ZINC001163762131 1090252116 /nfs/dbraw/zinc/25/21/16/1090252116.db2.gz YXAHIGCUCZADID-UHFFFAOYSA-N 2 1 306.413 3.237 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)CC[C@@H]2C[NH3+])nc1 ZINC001164078084 1090335951 /nfs/dbraw/zinc/33/59/51/1090335951.db2.gz MGYXOAVTLUIEQA-CGTJXYLNSA-N 2 1 316.493 3.192 20 0 DGADMP CCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501275 1090433536 /nfs/dbraw/zinc/43/35/36/1090433536.db2.gz XILKAERBJJGNPA-GOSISDBHSA-N 2 1 323.525 3.070 20 0 DGADMP CC1(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)COC1 ZINC001276415443 1090778670 /nfs/dbraw/zinc/77/86/70/1090778670.db2.gz KIDQINUHHJOYEA-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1C ZINC001203723056 1090789032 /nfs/dbraw/zinc/78/90/32/1090789032.db2.gz CZAVVQPEAVBXFR-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203891509 1090829462 /nfs/dbraw/zinc/82/94/62/1090829462.db2.gz SOUTWSATLCFFCK-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203891509 1090829467 /nfs/dbraw/zinc/82/94/67/1090829467.db2.gz SOUTWSATLCFFCK-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203891509 1090829474 /nfs/dbraw/zinc/82/94/74/1090829474.db2.gz SOUTWSATLCFFCK-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203891509 1090829477 /nfs/dbraw/zinc/82/94/77/1090829477.db2.gz SOUTWSATLCFFCK-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203891509 1090829480 /nfs/dbraw/zinc/82/94/80/1090829480.db2.gz SOUTWSATLCFFCK-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203891509 1090829481 /nfs/dbraw/zinc/82/94/81/1090829481.db2.gz SOUTWSATLCFFCK-FQEVSTJZSA-N 2 1 316.489 3.318 20 0 DGADMP C([C@H]1CCCO1)[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276434433 1090863859 /nfs/dbraw/zinc/86/38/59/1090863859.db2.gz RRSFGOOZANQEIH-MOPGFXCFSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276434433 1090863872 /nfs/dbraw/zinc/86/38/72/1090863872.db2.gz RRSFGOOZANQEIH-MOPGFXCFSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276434433 1090863881 /nfs/dbraw/zinc/86/38/81/1090863881.db2.gz RRSFGOOZANQEIH-MOPGFXCFSA-N 2 1 306.494 3.286 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204013062 1090868649 /nfs/dbraw/zinc/86/86/49/1090868649.db2.gz FLQOBAZPBOYAOQ-OALUTQOASA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204013062 1090868658 /nfs/dbraw/zinc/86/86/58/1090868658.db2.gz FLQOBAZPBOYAOQ-OALUTQOASA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204013062 1090868674 /nfs/dbraw/zinc/86/86/74/1090868674.db2.gz FLQOBAZPBOYAOQ-OALUTQOASA-N 2 1 309.457 3.359 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078182 1090893511 /nfs/dbraw/zinc/89/35/11/1090893511.db2.gz RAMRAHDSKUTNPX-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP CSc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001204147158 1090908254 /nfs/dbraw/zinc/90/82/54/1090908254.db2.gz XKRHLMSTEATFES-UHFFFAOYSA-N 2 1 313.470 3.434 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001204414336 1090964287 /nfs/dbraw/zinc/96/42/87/1090964287.db2.gz XCLYBHMMWIUIMW-UHFFFAOYSA-N 2 1 302.340 3.111 20 0 DGADMP CN(Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204414336 1090964291 /nfs/dbraw/zinc/96/42/91/1090964291.db2.gz XCLYBHMMWIUIMW-UHFFFAOYSA-N 2 1 302.340 3.111 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC001204490517 1090981725 /nfs/dbraw/zinc/98/17/25/1090981725.db2.gz RSCHVSXANBYLNO-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001205047508 1090990643 /nfs/dbraw/zinc/99/06/43/1090990643.db2.gz XGDKMKQUHZMTOX-UHFFFAOYSA-N 2 1 308.294 3.154 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204735147 1091024959 /nfs/dbraw/zinc/02/49/59/1091024959.db2.gz LRQHQRUSUQAGHY-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2c1 ZINC001204735356 1091025201 /nfs/dbraw/zinc/02/52/01/1091025201.db2.gz QMERIWKAYRDDEK-UHFFFAOYSA-N 2 1 314.429 3.407 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1F ZINC001204734712 1091025840 /nfs/dbraw/zinc/02/58/40/1091025840.db2.gz CNNYGKOPIWCELQ-UHFFFAOYSA-N 2 1 324.415 3.329 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854228 1091048379 /nfs/dbraw/zinc/04/83/79/1091048379.db2.gz IWQAJIPFZGUBDM-NHYWBVRUSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854228 1091048388 /nfs/dbraw/zinc/04/83/88/1091048388.db2.gz IWQAJIPFZGUBDM-NHYWBVRUSA-N 2 1 314.807 3.189 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cccnc4s3)C[C@H]2CC1 ZINC001276477993 1091070607 /nfs/dbraw/zinc/07/06/07/1091070607.db2.gz MAZGXYVXYVZRMM-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cccnc4s3)C[C@H]2CC1 ZINC001276477993 1091070613 /nfs/dbraw/zinc/07/06/13/1091070613.db2.gz MAZGXYVXYVZRMM-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cccnc4s3)C[C@H]2CC1 ZINC001276477993 1091070618 /nfs/dbraw/zinc/07/06/18/1091070618.db2.gz MAZGXYVXYVZRMM-GASCZTMLSA-N 2 1 301.459 3.070 20 0 DGADMP Cc1cc(Br)c(F)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205041218 1091089457 /nfs/dbraw/zinc/08/94/57/1091089457.db2.gz QKXYJPZQECQYQL-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205109441 1091104390 /nfs/dbraw/zinc/10/43/90/1091104390.db2.gz GNKMZLRXLGJUDP-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205109441 1091104393 /nfs/dbraw/zinc/10/43/93/1091104393.db2.gz GNKMZLRXLGJUDP-NSHDSACASA-N 2 1 306.303 3.038 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001205110111 1091104586 /nfs/dbraw/zinc/10/45/86/1091104586.db2.gz OYEABRIFDSTYEY-AWEZNQCLSA-N 2 1 305.422 3.262 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001205110111 1091104589 /nfs/dbraw/zinc/10/45/89/1091104589.db2.gz OYEABRIFDSTYEY-AWEZNQCLSA-N 2 1 305.422 3.262 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109195 1091104909 /nfs/dbraw/zinc/10/49/09/1091104909.db2.gz CEGGQCNEGMNVHP-CYBMUJFWSA-N 2 1 302.340 3.027 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109195 1091104911 /nfs/dbraw/zinc/10/49/11/1091104911.db2.gz CEGGQCNEGMNVHP-CYBMUJFWSA-N 2 1 302.340 3.027 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001205116946 1091106533 /nfs/dbraw/zinc/10/65/33/1091106533.db2.gz JVAODJQSIRBJMT-LBPRGKRZSA-N 2 1 320.330 3.237 20 0 DGADMP COc1cc(Cl)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001205129336 1091108936 /nfs/dbraw/zinc/10/89/36/1091108936.db2.gz AOVBWLITIQLXJH-UHFFFAOYSA-N 2 1 313.788 3.350 20 0 DGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001205164725 1091116639 /nfs/dbraw/zinc/11/66/39/1091116639.db2.gz QIPZQXHUTATSOU-QGZVFWFLSA-N 2 1 321.468 3.216 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2nccnc2c1 ZINC001138304566 1091135886 /nfs/dbraw/zinc/13/58/86/1091135886.db2.gz OBVUOQBMIIGOII-GOSISDBHSA-N 2 1 324.472 3.470 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001205241248 1091144642 /nfs/dbraw/zinc/14/46/42/1091144642.db2.gz RZADUNUSRMYSGX-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205255570 1091151679 /nfs/dbraw/zinc/15/16/79/1091151679.db2.gz KGIXBRRYDBRUPQ-HXUWFJFHSA-N 3 1 315.505 3.102 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205281055 1091164362 /nfs/dbraw/zinc/16/43/62/1091164362.db2.gz OXUFGEVQTCMZOK-IBGZPJMESA-N 2 1 318.461 3.345 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001205289249 1091167687 /nfs/dbraw/zinc/16/76/87/1091167687.db2.gz VHJBAIKPGCBIPV-KRWDZBQOSA-N 2 1 319.836 3.297 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303506 1091173640 /nfs/dbraw/zinc/17/36/40/1091173640.db2.gz GPSVBJIFXXFVJZ-PWSUYJOCSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1C[NH3+] ZINC001205303506 1091173642 /nfs/dbraw/zinc/17/36/42/1091173642.db2.gz GPSVBJIFXXFVJZ-PWSUYJOCSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H]1C[NH3+] ZINC001205303431 1091173710 /nfs/dbraw/zinc/17/37/10/1091173710.db2.gz FLMDVSXQWXQQRO-YOEHRIQHSA-N 2 1 302.462 3.207 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)C[C@@H]1C[NH3+] ZINC001205304805 1091175445 /nfs/dbraw/zinc/17/54/45/1091175445.db2.gz PUVPZMKUEQQEDU-OCCSQVGLSA-N 2 1 319.449 3.366 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@@H]1C[NH3+] ZINC001205305064 1091176825 /nfs/dbraw/zinc/17/68/25/1091176825.db2.gz QUPMYPVGISLNPQ-BEFAXECRSA-N 2 1 311.473 3.323 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC001205306308 1091177589 /nfs/dbraw/zinc/17/75/89/1091177589.db2.gz VHTIWMGACZNNFK-NVXWUHKLSA-N 2 1 317.477 3.210 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC001205306308 1091177594 /nfs/dbraw/zinc/17/75/94/1091177594.db2.gz VHTIWMGACZNNFK-NVXWUHKLSA-N 2 1 317.477 3.210 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C[C@@H]1C[NH3+] ZINC001205315391 1091180880 /nfs/dbraw/zinc/18/08/80/1091180880.db2.gz FWTXALAFEGLXCP-HIFRSBDPSA-N 2 1 301.409 3.238 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC)c(C)c3)C[C@H]2C1 ZINC001138430315 1091181666 /nfs/dbraw/zinc/18/16/66/1091181666.db2.gz WTPPECWNNDNLGE-QZTJIDSGSA-N 2 1 302.462 3.086 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C[C@@H]1C[NH3+] ZINC001205316897 1091181943 /nfs/dbraw/zinc/18/19/43/1091181943.db2.gz MAROMHXLMLMQOD-RYUDHWBXSA-N 2 1 319.836 3.011 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@H]1C[NH3+] ZINC001205316864 1091182454 /nfs/dbraw/zinc/18/24/54/1091182454.db2.gz LOHUTSQONJCPPF-DNVCBOLYSA-N 2 1 310.441 3.476 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205318114 1091182491 /nfs/dbraw/zinc/18/24/91/1091182491.db2.gz RURBWEJFRIRRKH-VQIMIIECSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC001205319095 1091183665 /nfs/dbraw/zinc/18/36/65/1091183665.db2.gz YRGCUXYDIVVCIT-CHWSQXEVSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC001205319095 1091183670 /nfs/dbraw/zinc/18/36/70/1091183670.db2.gz YRGCUXYDIVVCIT-CHWSQXEVSA-N 2 1 303.837 3.305 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC001138435816 1091184313 /nfs/dbraw/zinc/18/43/13/1091184313.db2.gz PBWQGDQNEHEOHB-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205318525 1091184309 /nfs/dbraw/zinc/18/43/09/1091184309.db2.gz VQCGVZZFJLSOTR-CRAIPNDOSA-N 3 1 313.489 3.105 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205318525 1091184312 /nfs/dbraw/zinc/18/43/12/1091184312.db2.gz VQCGVZZFJLSOTR-CRAIPNDOSA-N 2 1 313.489 3.105 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001138446966 1091188197 /nfs/dbraw/zinc/18/81/97/1091188197.db2.gz JOXXOSMITJWQNF-UHFFFAOYSA-N 2 1 324.472 3.303 20 0 DGADMP c1ccc([C@H]2CC[N@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001205339217 1091191533 /nfs/dbraw/zinc/19/15/33/1091191533.db2.gz GWVWGMXVSCZDMM-IBGZPJMESA-N 2 1 321.468 3.086 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC001138511048 1091211094 /nfs/dbraw/zinc/21/10/94/1091211094.db2.gz USDNNTZJMKZKSI-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC001138511048 1091211103 /nfs/dbraw/zinc/21/11/03/1091211103.db2.gz USDNNTZJMKZKSI-UHFFFAOYSA-N 2 1 301.434 3.093 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc1 ZINC001138544675 1091220997 /nfs/dbraw/zinc/22/09/97/1091220997.db2.gz MLGSNRCXGPXZEV-LJQANCHMSA-N 2 1 313.445 3.165 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@](C)(CO)CC2)cc1 ZINC001138544675 1091221004 /nfs/dbraw/zinc/22/10/04/1091221004.db2.gz MLGSNRCXGPXZEV-LJQANCHMSA-N 2 1 313.445 3.165 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Cl)cncc2Cl)CC1 ZINC001205558019 1091251594 /nfs/dbraw/zinc/25/15/94/1091251594.db2.gz AOLVPBZNWJOZBG-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)cncc2Cl)CC1 ZINC001205558019 1091251599 /nfs/dbraw/zinc/25/15/99/1091251599.db2.gz AOLVPBZNWJOZBG-CYBMUJFWSA-N 2 1 306.212 3.041 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C)c1C ZINC001205558509 1091253073 /nfs/dbraw/zinc/25/30/73/1091253073.db2.gz FTUCEIFOJZEIST-SFHVURJKSA-N 2 1 308.441 3.273 20 0 DGADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2)cc1 ZINC001138617266 1091257581 /nfs/dbraw/zinc/25/75/81/1091257581.db2.gz DNXVNSKPYDTQFG-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2cccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2)cc1 ZINC001138617266 1091257585 /nfs/dbraw/zinc/25/75/85/1091257585.db2.gz DNXVNSKPYDTQFG-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2cccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2)cc1 ZINC001138617266 1091257589 /nfs/dbraw/zinc/25/75/89/1091257589.db2.gz DNXVNSKPYDTQFG-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205571602 1091260505 /nfs/dbraw/zinc/26/05/05/1091260505.db2.gz VVYFXIVWRMWPIC-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001205578403 1091262935 /nfs/dbraw/zinc/26/29/35/1091262935.db2.gz AZOUVBVMDIBUKD-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592362 1091270169 /nfs/dbraw/zinc/27/01/69/1091270169.db2.gz UNUWAOIJTMIKSJ-HNNXBMFYSA-N 2 1 302.796 3.440 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1F ZINC001205592568 1091270330 /nfs/dbraw/zinc/27/03/30/1091270330.db2.gz WMVQRDSFJXZANU-QGZVFWFLSA-N 2 1 312.404 3.266 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cccc2n1 ZINC001205592016 1091270819 /nfs/dbraw/zinc/27/08/19/1091270819.db2.gz PXSTWBVDNWXNIW-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)cc1Cl ZINC001205592483 1091270894 /nfs/dbraw/zinc/27/08/94/1091270894.db2.gz VHEHBCZHUDHGGI-OAHLLOKOSA-N 2 1 302.796 3.440 20 0 DGADMP C[C@H]1CC[N@@H+](CCCCOCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205603636 1091276004 /nfs/dbraw/zinc/27/60/04/1091276004.db2.gz RJVPQOKOKVLTGO-PKOBYXMFSA-N 2 1 304.478 3.290 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1OCC ZINC001205616604 1091281706 /nfs/dbraw/zinc/28/17/06/1091281706.db2.gz GMPTVPHFABRJHG-WBVHZDCISA-N 2 1 320.477 3.291 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1OCC ZINC001205616593 1091282251 /nfs/dbraw/zinc/28/22/51/1091282251.db2.gz GMPTVPHFABRJHG-DOTOQJQBSA-N 2 1 320.477 3.291 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)[nH]1 ZINC001205618259 1091284240 /nfs/dbraw/zinc/28/42/40/1091284240.db2.gz TXKWPWWAKJQEGW-OLZOCXBDSA-N 2 1 312.889 3.213 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC001205618811 1091284445 /nfs/dbraw/zinc/28/44/45/1091284445.db2.gz YYTKPUDGDAHYPG-DZGCQCFKSA-N 2 1 316.424 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205618444 1091284722 /nfs/dbraw/zinc/28/47/22/1091284722.db2.gz WBNJEFOKFREYPC-RYUDHWBXSA-N 2 1 316.367 3.234 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205626719 1091285755 /nfs/dbraw/zinc/28/57/55/1091285755.db2.gz IKINJRDLMWWYDF-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c2c1 ZINC001205627209 1091286445 /nfs/dbraw/zinc/28/64/45/1091286445.db2.gz NWMSJCWLEHPIIO-CABCVRRESA-N 2 1 315.461 3.373 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205635434 1091290575 /nfs/dbraw/zinc/29/05/75/1091290575.db2.gz AMESEDODHIJXPA-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205636566 1091290965 /nfs/dbraw/zinc/29/09/65/1091290965.db2.gz DNHFFFPOEGQKNL-HOTGVXAUSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205651283 1091295615 /nfs/dbraw/zinc/29/56/15/1091295615.db2.gz CEAUGBCCNRKPNK-WCQYABFASA-N 2 1 316.367 3.234 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1c(C)cc(OC)c(C)c1C ZINC001138727238 1091304235 /nfs/dbraw/zinc/30/42/35/1091304235.db2.gz MATZARGJEBSMLB-UHFFFAOYSA-N 2 1 301.434 3.339 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001205682772 1091309728 /nfs/dbraw/zinc/30/97/28/1091309728.db2.gz UTEVKIQQCVTFMU-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001205688400 1091313403 /nfs/dbraw/zinc/31/34/03/1091313403.db2.gz HLOBPEUAKMEKQM-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP CC(C)c1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1Cl ZINC001205725671 1091322083 /nfs/dbraw/zinc/32/20/83/1091322083.db2.gz JVIKWYALIGAGOJ-QGZVFWFLSA-N 2 1 310.869 3.139 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1Cl ZINC001205725671 1091322092 /nfs/dbraw/zinc/32/20/92/1091322092.db2.gz JVIKWYALIGAGOJ-QGZVFWFLSA-N 2 1 310.869 3.139 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001138768668 1091322839 /nfs/dbraw/zinc/32/28/39/1091322839.db2.gz AJZFFASPWSAHND-ZWKOTPCHSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001138768666 1091323834 /nfs/dbraw/zinc/32/38/34/1091323834.db2.gz AJZFFASPWSAHND-QZTJIDSGSA-N 2 1 302.462 3.249 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2-c2nccs2)CCC1(F)F ZINC001205767869 1091339648 /nfs/dbraw/zinc/33/96/48/1091339648.db2.gz BSHUGRAZJLRFDZ-CYBMUJFWSA-N 2 1 323.412 3.226 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2-c2nccs2)CCC1(F)F ZINC001205767869 1091339657 /nfs/dbraw/zinc/33/96/57/1091339657.db2.gz BSHUGRAZJLRFDZ-CYBMUJFWSA-N 2 1 323.412 3.226 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccn3)cc2)CCC1(F)F ZINC001205769605 1091339809 /nfs/dbraw/zinc/33/98/09/1091339809.db2.gz JLFNJUWLNXPPHI-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccn3)cc2)CCC1(F)F ZINC001205769605 1091339816 /nfs/dbraw/zinc/33/98/16/1091339816.db2.gz JLFNJUWLNXPPHI-MRXNPFEDSA-N 2 1 317.383 3.165 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205795539 1091351982 /nfs/dbraw/zinc/35/19/82/1091351982.db2.gz HZKMZDIEWSIRLB-OAHLLOKOSA-N 2 1 312.404 3.198 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205795539 1091351993 /nfs/dbraw/zinc/35/19/93/1091351993.db2.gz HZKMZDIEWSIRLB-OAHLLOKOSA-N 2 1 312.404 3.198 20 0 DGADMP CCc1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc[nH+]1 ZINC001205806483 1091357180 /nfs/dbraw/zinc/35/71/80/1091357180.db2.gz YVYBQAYWOIPTDE-UHFFFAOYSA-N 2 1 323.440 3.131 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904912 1091403819 /nfs/dbraw/zinc/40/38/19/1091403819.db2.gz YIVGXLCCPRPROQ-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC001205904912 1091403822 /nfs/dbraw/zinc/40/38/22/1091403822.db2.gz YIVGXLCCPRPROQ-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001205913458 1091407322 /nfs/dbraw/zinc/40/73/22/1091407322.db2.gz IJKOIPBUQWSLMW-NVXWUHKLSA-N 2 1 311.429 3.433 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205913202 1091407624 /nfs/dbraw/zinc/40/76/24/1091407624.db2.gz HOYLUEFDXUDCDT-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205913202 1091407631 /nfs/dbraw/zinc/40/76/31/1091407631.db2.gz HOYLUEFDXUDCDT-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001205914864 1091409098 /nfs/dbraw/zinc/40/90/98/1091409098.db2.gz OIFHBZQZJQUBCG-CHWSQXEVSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915800 1091409744 /nfs/dbraw/zinc/40/97/44/1091409744.db2.gz QOKICLQSFUPWFE-KGLIPLIRSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915800 1091409747 /nfs/dbraw/zinc/40/97/47/1091409747.db2.gz QOKICLQSFUPWFE-KGLIPLIRSA-N 2 1 318.852 3.085 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cccc(OC(C)C)c3)C[C@H]2C1 ZINC001138986857 1091410157 /nfs/dbraw/zinc/41/01/57/1091410157.db2.gz DJUBKWQHPMSRFE-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)C)c3)C[C@@H]2C1 ZINC001138986857 1091410167 /nfs/dbraw/zinc/41/01/67/1091410167.db2.gz DJUBKWQHPMSRFE-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)C)c3)C[C@@H]2C1 ZINC001138986857 1091410172 /nfs/dbraw/zinc/41/01/72/1091410172.db2.gz DJUBKWQHPMSRFE-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(C)C)c3)C[C@@H]2C1 ZINC001138986857 1091410175 /nfs/dbraw/zinc/41/01/75/1091410175.db2.gz DJUBKWQHPMSRFE-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(C)C)c3)C[C@@H]2C1 ZINC001138986857 1091410185 /nfs/dbraw/zinc/41/01/85/1091410185.db2.gz DJUBKWQHPMSRFE-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205916153 1091411645 /nfs/dbraw/zinc/41/16/45/1091411645.db2.gz SAZCKEKMDNEJHE-WMLDXEAASA-N 2 1 313.420 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923939 1091414748 /nfs/dbraw/zinc/41/47/48/1091414748.db2.gz QRLLJJNNNMYARJ-CHWSQXEVSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cnc2ccccc2c1Cl ZINC001205923939 1091414753 /nfs/dbraw/zinc/41/47/53/1091414753.db2.gz QRLLJJNNNMYARJ-CHWSQXEVSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981899 1091435203 /nfs/dbraw/zinc/43/52/03/1091435203.db2.gz IUYZYXUVBRFREM-STQMWFEESA-N 2 1 311.267 3.256 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCOCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205984187 1091436061 /nfs/dbraw/zinc/43/60/61/1091436061.db2.gz RKJQBRSDOFADGN-IEBWSBKVSA-N 2 1 304.478 3.290 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CCC[C@@H]1C[NH3+] ZINC001205992068 1091439435 /nfs/dbraw/zinc/43/94/35/1091439435.db2.gz DFJWTIISRVEHSC-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCCC2)CCC[C@H]1C[NH3+] ZINC001205992565 1091439447 /nfs/dbraw/zinc/43/94/47/1091439447.db2.gz FJJHLQBARNRUDT-MSOLQXFVSA-N 2 1 315.505 3.484 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CCC[C@@H]1C[NH3+] ZINC001205993546 1091440318 /nfs/dbraw/zinc/44/03/18/1091440318.db2.gz IBPZIQMSQQORKA-DLBZAZTESA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)n2)CCC[C@@H]1C[NH3+] ZINC001205997041 1091441329 /nfs/dbraw/zinc/44/13/29/1091441329.db2.gz YWMMGDXZESNFPW-HUUCEWRRSA-N 2 1 305.466 3.066 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Oc2ncccn2)cc1 ZINC001139083396 1091443751 /nfs/dbraw/zinc/44/37/51/1091443751.db2.gz PFVBGWSZVKZLTE-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Oc2ncccn2)cc1 ZINC001139083396 1091443754 /nfs/dbraw/zinc/44/37/54/1091443754.db2.gz PFVBGWSZVKZLTE-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206012769 1091449407 /nfs/dbraw/zinc/44/94/07/1091449407.db2.gz NRHPHKFYTNJYKA-NEPJUHHUSA-N 2 1 316.367 3.218 20 0 DGADMP COc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012082 1091449916 /nfs/dbraw/zinc/44/99/16/1091449916.db2.gz ITARYGKPKRJSEI-DGCLKSJQSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(Cl)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206011386 1091450061 /nfs/dbraw/zinc/45/00/61/1091450061.db2.gz CBQLTBGHRIOMOK-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206014095 1091451969 /nfs/dbraw/zinc/45/19/69/1091451969.db2.gz VYZURXUQRABITK-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CCC[C@@H]1C[NH3+] ZINC001206014983 1091452285 /nfs/dbraw/zinc/45/22/85/1091452285.db2.gz YWNWSKGZXPJTGJ-VXGBXAGGSA-N 2 1 306.841 3.023 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1C(F)F ZINC001206024539 1091455008 /nfs/dbraw/zinc/45/50/08/1091455008.db2.gz JYGUSJGUPRJWPF-OCCSQVGLSA-N 2 1 312.404 3.440 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206023642 1091455864 /nfs/dbraw/zinc/45/58/64/1091455864.db2.gz FYVPOYUDQUKIPW-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206025858 1091456817 /nfs/dbraw/zinc/45/68/17/1091456817.db2.gz POUXFVTZJOAMDD-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206028281 1091456967 /nfs/dbraw/zinc/45/69/67/1091456967.db2.gz XZUHJKHWFKKXRA-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC001206037871 1091462683 /nfs/dbraw/zinc/46/26/83/1091462683.db2.gz YPSXFTIKEIFMHE-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC001206037871 1091462688 /nfs/dbraw/zinc/46/26/88/1091462688.db2.gz YPSXFTIKEIFMHE-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccncc3)n2)CCC[C@@H]1C[NH3+] ZINC001206036503 1091463270 /nfs/dbraw/zinc/46/32/70/1091463270.db2.gz KIRQUOVXRHVXSZ-UKRRQHHQSA-N 2 1 316.474 3.012 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC001206036551 1091464018 /nfs/dbraw/zinc/46/40/18/1091464018.db2.gz KXULZOLHJLKHAQ-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC001206036551 1091464021 /nfs/dbraw/zinc/46/40/21/1091464021.db2.gz KXULZOLHJLKHAQ-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206037840 1091464192 /nfs/dbraw/zinc/46/41/92/1091464192.db2.gz XYNYWRLTQIMDCK-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc2c1 ZINC001206163696 1091516260 /nfs/dbraw/zinc/51/62/60/1091516260.db2.gz DUGJAWJHBYIWNS-MSOLQXFVSA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc2c1 ZINC001206163696 1091516268 /nfs/dbraw/zinc/51/62/68/1091516268.db2.gz DUGJAWJHBYIWNS-MSOLQXFVSA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@@H]1F ZINC001206173614 1091520038 /nfs/dbraw/zinc/52/00/38/1091520038.db2.gz ISEGJHMSONVXQC-GJZGRUSLSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC[C@@H]1F ZINC001206173614 1091520045 /nfs/dbraw/zinc/52/00/45/1091520045.db2.gz ISEGJHMSONVXQC-GJZGRUSLSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC[C@H]1F ZINC001206175448 1091521743 /nfs/dbraw/zinc/52/17/43/1091521743.db2.gz VGLBSTYZEZYWTP-ZIAGYGMSSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@@H]1F ZINC001206183224 1091525453 /nfs/dbraw/zinc/52/54/53/1091525453.db2.gz GEXPWWSGLRFSJW-GJZGRUSLSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@@H]1F ZINC001206183224 1091525466 /nfs/dbraw/zinc/52/54/66/1091525466.db2.gz GEXPWWSGLRFSJW-GJZGRUSLSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@H]1F ZINC001206197705 1091530629 /nfs/dbraw/zinc/53/06/29/1091530629.db2.gz JBLGGYLMSPUDRL-MOPGFXCFSA-N 2 1 314.404 3.320 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@H]1F ZINC001206197705 1091530634 /nfs/dbraw/zinc/53/06/34/1091530634.db2.gz JBLGGYLMSPUDRL-MOPGFXCFSA-N 2 1 314.404 3.320 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206209937 1091535710 /nfs/dbraw/zinc/53/57/10/1091535710.db2.gz ITSWBUJPUGCCRY-ZIAGYGMSSA-N 2 1 315.230 3.019 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206209937 1091535715 /nfs/dbraw/zinc/53/57/15/1091535715.db2.gz ITSWBUJPUGCCRY-ZIAGYGMSSA-N 2 1 315.230 3.019 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001206257901 1091552513 /nfs/dbraw/zinc/55/25/13/1091552513.db2.gz MNINRYKPAUPXNJ-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001206258301 1091552610 /nfs/dbraw/zinc/55/26/10/1091552610.db2.gz VOJHQOHRKWHHOX-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206262944 1091554728 /nfs/dbraw/zinc/55/47/28/1091554728.db2.gz JWWWONXWLOSUFZ-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206262944 1091554735 /nfs/dbraw/zinc/55/47/35/1091554735.db2.gz JWWWONXWLOSUFZ-NSHDSACASA-N 2 1 322.250 3.114 20 0 DGADMP c1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001206285318 1091562497 /nfs/dbraw/zinc/56/24/97/1091562497.db2.gz LJCCVOKFXXLZAJ-CALCHBBNSA-N 2 1 309.457 3.367 20 0 DGADMP C[NH+](C)CCCOC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001206287661 1091563926 /nfs/dbraw/zinc/56/39/26/1091563926.db2.gz SRJFEZPMJNGJGY-UHFFFAOYSA-N 2 1 324.468 3.429 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2cc(F)c(F)cc2F)CC1 ZINC001206296363 1091565877 /nfs/dbraw/zinc/56/58/77/1091565877.db2.gz RUZZGOGEELYSLV-MRXNPFEDSA-N 2 1 300.368 3.097 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001206296360 1091565939 /nfs/dbraw/zinc/56/59/39/1091565939.db2.gz RUIVOTWMRHTDMA-HXUWFJFHSA-N 2 1 315.505 3.354 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1OC(C)C ZINC001206304204 1091568722 /nfs/dbraw/zinc/56/87/22/1091568722.db2.gz HIXPNOJHVHHQRS-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001206305121 1091570666 /nfs/dbraw/zinc/57/06/66/1091570666.db2.gz UDYZPTGSQNCEEM-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001206305121 1091570670 /nfs/dbraw/zinc/57/06/70/1091570670.db2.gz UDYZPTGSQNCEEM-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001206305121 1091570679 /nfs/dbraw/zinc/57/06/79/1091570679.db2.gz UDYZPTGSQNCEEM-INIZCTEOSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001206305113 1091570936 /nfs/dbraw/zinc/57/09/36/1091570936.db2.gz TZLHTNZXQJIGET-INIZCTEOSA-N 2 1 304.463 3.089 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001206304921 1091571792 /nfs/dbraw/zinc/57/17/92/1091571792.db2.gz RMCGTYKRMPLKHI-QGZVFWFLSA-N 2 1 312.404 3.281 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnccc2C(F)(F)F)CC1 ZINC001206311453 1091573777 /nfs/dbraw/zinc/57/37/77/1091573777.db2.gz OUOKXOCIJFMDTM-CQSZACIVSA-N 2 1 301.356 3.051 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC001206322013 1091579411 /nfs/dbraw/zinc/57/94/11/1091579411.db2.gz ZNHGYZFDLRHMIM-IEBWSBKVSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC001206322013 1091579417 /nfs/dbraw/zinc/57/94/17/1091579417.db2.gz ZNHGYZFDLRHMIM-IEBWSBKVSA-N 2 1 316.489 3.302 20 0 DGADMP CC[N@@H+](C)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139515695 1091579743 /nfs/dbraw/zinc/57/97/43/1091579743.db2.gz VLAQXDPWUVYQRE-UHFFFAOYSA-N 2 1 323.484 3.461 20 0 DGADMP COCc1cc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)c1 ZINC001206323324 1091579902 /nfs/dbraw/zinc/57/99/02/1091579902.db2.gz CBAWJOBIWADUQS-UHFFFAOYSA-N 2 1 321.424 3.451 20 0 DGADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206326919 1091581651 /nfs/dbraw/zinc/58/16/51/1091581651.db2.gz QORVNGZHDRKJDI-SFHVURJKSA-N 2 1 305.466 3.128 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001206334972 1091583205 /nfs/dbraw/zinc/58/32/05/1091583205.db2.gz BMJNZFUKMAAIAJ-SFHVURJKSA-N 2 1 317.408 3.432 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)c1C ZINC001206352244 1091590397 /nfs/dbraw/zinc/59/03/97/1091590397.db2.gz RVASLVXWCKYCMO-GOSISDBHSA-N 2 1 308.441 3.273 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)c1C ZINC001206352244 1091590404 /nfs/dbraw/zinc/59/04/04/1091590404.db2.gz RVASLVXWCKYCMO-GOSISDBHSA-N 2 1 308.441 3.273 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001139607647 1091619861 /nfs/dbraw/zinc/61/98/61/1091619861.db2.gz YVMATKWAAJTWNR-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1CC ZINC001139626652 1091626744 /nfs/dbraw/zinc/62/67/44/1091626744.db2.gz VJFDMXGSQDGVTB-LJQANCHMSA-N 2 1 302.462 3.175 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1CC ZINC001139626652 1091626749 /nfs/dbraw/zinc/62/67/49/1091626749.db2.gz VJFDMXGSQDGVTB-LJQANCHMSA-N 2 1 302.462 3.175 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1CC ZINC001139626652 1091626754 /nfs/dbraw/zinc/62/67/54/1091626754.db2.gz VJFDMXGSQDGVTB-LJQANCHMSA-N 2 1 302.462 3.175 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1CC ZINC001139626652 1091626759 /nfs/dbraw/zinc/62/67/59/1091626759.db2.gz VJFDMXGSQDGVTB-LJQANCHMSA-N 2 1 302.462 3.175 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139644920 1091632118 /nfs/dbraw/zinc/63/21/18/1091632118.db2.gz VLGLDIOTJDYAKI-WOJBJXKFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139644920 1091632124 /nfs/dbraw/zinc/63/21/24/1091632124.db2.gz VLGLDIOTJDYAKI-WOJBJXKFSA-N 2 1 307.441 3.132 20 0 DGADMP COc1ccc2c(c1)c(C[N@H+]1CCCC[C@@](C)(C[NH3+])C1)cn2C ZINC001206548148 1091664968 /nfs/dbraw/zinc/66/49/68/1091664968.db2.gz HPUIYNHELFGQRW-IBGZPJMESA-N 2 1 315.461 3.138 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001206550009 1091665606 /nfs/dbraw/zinc/66/56/06/1091665606.db2.gz TUFNVIOHKHPTGP-INIZCTEOSA-N 2 1 306.841 3.119 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001206550009 1091665609 /nfs/dbraw/zinc/66/56/09/1091665609.db2.gz TUFNVIOHKHPTGP-INIZCTEOSA-N 2 1 306.841 3.119 20 0 DGADMP CC(C)Oc1ncccc1CC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583801 1091678023 /nfs/dbraw/zinc/67/80/23/1091678023.db2.gz WUZDPGUXXGUNLP-GOSISDBHSA-N 2 1 319.493 3.264 20 0 DGADMP CC(C)[N@H+](Cc1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206590557 1091681282 /nfs/dbraw/zinc/68/12/82/1091681282.db2.gz NFLOSEODXQRXDU-ZDUSSCGKSA-N 2 1 300.368 3.456 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206590557 1091681286 /nfs/dbraw/zinc/68/12/86/1091681286.db2.gz NFLOSEODXQRXDU-ZDUSSCGKSA-N 2 1 300.368 3.456 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)s1 ZINC001139829458 1091682835 /nfs/dbraw/zinc/68/28/35/1091682835.db2.gz MXTKKTCDGMQSCH-AWEZNQCLSA-N 2 1 318.442 3.251 20 0 DGADMP COc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599462 1091683874 /nfs/dbraw/zinc/68/38/74/1091683874.db2.gz SDIZDFWMOKVRPV-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599462 1091683877 /nfs/dbraw/zinc/68/38/77/1091683877.db2.gz SDIZDFWMOKVRPV-CQSZACIVSA-N 2 1 312.404 3.326 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001206622448 1091693465 /nfs/dbraw/zinc/69/34/65/1091693465.db2.gz CBEKPJKQOASIMF-HNNXBMFYSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001206623167 1091693684 /nfs/dbraw/zinc/69/36/84/1091693684.db2.gz JQCGWGMDQSJDJY-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001206640330 1091696636 /nfs/dbraw/zinc/69/66/36/1091696636.db2.gz ISHNIVJAYVGLKA-QGZVFWFLSA-N 2 1 311.429 3.435 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682944 1091701130 /nfs/dbraw/zinc/70/11/30/1091701130.db2.gz CEUHMKTUTWTWIG-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)ccc1C[NH+]1CCOCC1 ZINC001206682944 1091701137 /nfs/dbraw/zinc/70/11/37/1091701137.db2.gz CEUHMKTUTWTWIG-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP CC(C)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206722017 1091712769 /nfs/dbraw/zinc/71/27/69/1091712769.db2.gz JJCYUGOLYDSFIR-UHFFFAOYSA-N 2 1 316.489 3.387 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206772223 1091733331 /nfs/dbraw/zinc/73/33/31/1091733331.db2.gz ZJUUZQBWXISYAN-KGLIPLIRSA-N 2 1 301.434 3.126 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1C(F)(F)F ZINC001206769778 1091733461 /nfs/dbraw/zinc/73/34/61/1091733461.db2.gz QGHRFXDPXZAYDW-AAEUAGOBSA-N 2 1 316.367 3.273 20 0 DGADMP COc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001206799238 1091745554 /nfs/dbraw/zinc/74/55/54/1091745554.db2.gz CQRZQYNSUGDWMU-RDTXWAMCSA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001206799238 1091745561 /nfs/dbraw/zinc/74/55/61/1091745561.db2.gz CQRZQYNSUGDWMU-RDTXWAMCSA-N 2 1 308.441 3.387 20 0 DGADMP COCc1csc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001206800808 1091745751 /nfs/dbraw/zinc/74/57/51/1091745751.db2.gz OATWKOVSGAYENQ-PBHICJAKSA-N 2 1 310.507 3.447 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)n21 ZINC001206807270 1091749143 /nfs/dbraw/zinc/74/91/43/1091749143.db2.gz ICLYFAFVBDKLFS-ZIAGYGMSSA-N 2 1 318.490 3.006 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)n21 ZINC001206807270 1091749148 /nfs/dbraw/zinc/74/91/48/1091749148.db2.gz ICLYFAFVBDKLFS-ZIAGYGMSSA-N 2 1 318.490 3.006 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn4cccc(Cl)c4n3)(C1)CCC2 ZINC001276499144 1091785638 /nfs/dbraw/zinc/78/56/38/1091785638.db2.gz ASOGRMYTXJVLJU-DLBZAZTESA-N 2 1 318.852 3.142 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1[nH+]cc2ccccn21 ZINC001207057297 1091832939 /nfs/dbraw/zinc/83/29/39/1091832939.db2.gz MYQCNXTWYPZGQX-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1[nH+]cc2ccccn21 ZINC001207057297 1091832946 /nfs/dbraw/zinc/83/29/46/1091832946.db2.gz MYQCNXTWYPZGQX-DLBZAZTESA-N 2 1 312.461 3.173 20 0 DGADMP CCn1ccnc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001207146349 1091860279 /nfs/dbraw/zinc/86/02/79/1091860279.db2.gz OTKPIVSNLLKPBI-UHFFFAOYSA-N 2 1 324.472 3.001 20 0 DGADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCC3CCCC3)(C1)CCC2 ZINC001276511720 1091860866 /nfs/dbraw/zinc/86/08/66/1091860866.db2.gz IMTQHOUGPKEPCU-MOPGFXCFSA-N 2 1 307.526 3.153 20 0 DGADMP CN1CCC([N@@H+](C)Cc2ccccc2-c2nccs2)CC1 ZINC001140448554 1091869458 /nfs/dbraw/zinc/86/94/58/1091869458.db2.gz LRWMNSQEUQAIBJ-UHFFFAOYSA-N 2 1 301.459 3.336 20 0 DGADMP C[N@H+](Cc1ccccc1-c1nccs1)C1CC[NH+](C)CC1 ZINC001140448554 1091869460 /nfs/dbraw/zinc/86/94/60/1091869460.db2.gz LRWMNSQEUQAIBJ-UHFFFAOYSA-N 2 1 301.459 3.336 20 0 DGADMP C[N@@H+](Cc1ccccc1-c1nccs1)C1CC[NH+](C)CC1 ZINC001140448554 1091869466 /nfs/dbraw/zinc/86/94/66/1091869466.db2.gz LRWMNSQEUQAIBJ-UHFFFAOYSA-N 2 1 301.459 3.336 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC001140507905 1091893151 /nfs/dbraw/zinc/89/31/51/1091893151.db2.gz WNMXOYHOTHRQGI-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284917 1091911154 /nfs/dbraw/zinc/91/11/54/1091911154.db2.gz ULPNMZBYTPHNJQ-QGZVFWFLSA-N 2 1 318.461 3.198 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284917 1091911160 /nfs/dbraw/zinc/91/11/60/1091911160.db2.gz ULPNMZBYTPHNJQ-QGZVFWFLSA-N 2 1 318.461 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001207286646 1091912168 /nfs/dbraw/zinc/91/21/68/1091912168.db2.gz JVSIRJWLYLVHEM-QGZVFWFLSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001207286785 1091912980 /nfs/dbraw/zinc/91/29/80/1091912980.db2.gz MKYFCNLNNBNLLG-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP CC(C)O[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293675 1091914137 /nfs/dbraw/zinc/91/41/37/1091914137.db2.gz JPOORRPGRLMYGP-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001207292367 1091914515 /nfs/dbraw/zinc/91/45/15/1091914515.db2.gz PXGSZMVFSXRZTF-UHFFFAOYSA-N 2 1 314.473 3.200 20 0 DGADMP CCOc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001207334738 1091929272 /nfs/dbraw/zinc/92/92/72/1091929272.db2.gz TYGCIDWDGHIHGF-INIZCTEOSA-N 2 1 311.429 3.191 20 0 DGADMP Brc1ccc(CC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001207383459 1091948351 /nfs/dbraw/zinc/94/83/51/1091948351.db2.gz BGBSBLCVCDFWHL-UHFFFAOYSA-N 2 1 323.278 3.162 20 0 DGADMP CC(C)CCC[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276529181 1091952377 /nfs/dbraw/zinc/95/23/77/1091952377.db2.gz BCQKJPKPUZGLFY-LJQANCHMSA-N 2 1 309.542 3.162 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398498 1091953530 /nfs/dbraw/zinc/95/35/30/1091953530.db2.gz UTOWDSHEJCFOJE-SFHVURJKSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1cc(C[N@@H+](Cc2ccccc2)CC2CC[NH+](C)CC2)on1 ZINC001207399612 1091955055 /nfs/dbraw/zinc/95/50/55/1091955055.db2.gz OXXJQFUXISSKOV-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207467237 1091976899 /nfs/dbraw/zinc/97/68/99/1091976899.db2.gz DRZUAWCIUPIVJE-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001207484470 1091984956 /nfs/dbraw/zinc/98/49/56/1091984956.db2.gz LQYUTZNHFVWQGN-INIZCTEOSA-N 2 1 324.415 3.150 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(-n2ccnc2)cc1 ZINC001207487507 1091985257 /nfs/dbraw/zinc/98/52/57/1091985257.db2.gz LKMBKTDIVVXLOW-UHFFFAOYSA-N 2 1 312.461 3.036 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793283 1092002029 /nfs/dbraw/zinc/00/20/29/1092002029.db2.gz GCGYLELQSXEGHL-INIZCTEOSA-N 2 1 318.804 3.402 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793283 1092002040 /nfs/dbraw/zinc/00/20/40/1092002040.db2.gz GCGYLELQSXEGHL-INIZCTEOSA-N 2 1 318.804 3.402 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001140801890 1092005763 /nfs/dbraw/zinc/00/57/63/1092005763.db2.gz JUIFUVHERYJQME-UHFFFAOYSA-N 2 1 312.461 3.261 20 0 DGADMP CCCCCC[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803950 1092012015 /nfs/dbraw/zinc/01/20/15/1092012015.db2.gz WPHIKESGPKMCJU-UHFFFAOYSA-N 2 1 300.450 3.261 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCCc1ccccc1)CC2 ZINC001207611612 1092040451 /nfs/dbraw/zinc/04/04/51/1092040451.db2.gz PRKUMAYVYYNZHK-UHFFFAOYSA-N 2 1 315.461 3.139 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620021 1092044634 /nfs/dbraw/zinc/04/46/34/1092044634.db2.gz GOSHBWSYENGMKX-FLXSYLCISA-N 2 1 314.498 3.324 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620021 1092044645 /nfs/dbraw/zinc/04/46/45/1092044645.db2.gz GOSHBWSYENGMKX-FLXSYLCISA-N 2 1 314.498 3.324 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620021 1092044656 /nfs/dbraw/zinc/04/46/56/1092044656.db2.gz GOSHBWSYENGMKX-FLXSYLCISA-N 2 1 314.498 3.324 20 0 DGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)C[C@H]3C2)c1 ZINC001207620021 1092044665 /nfs/dbraw/zinc/04/46/65/1092044665.db2.gz GOSHBWSYENGMKX-FLXSYLCISA-N 2 1 314.498 3.324 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001207678155 1092066889 /nfs/dbraw/zinc/06/68/89/1092066889.db2.gz FWJSLOLLCVPTJG-QGZVFWFLSA-N 2 1 310.526 3.372 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccn3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001140941860 1092072892 /nfs/dbraw/zinc/07/28/92/1092072892.db2.gz WSXPZTDEEQYHSO-GASCZTMLSA-N 2 1 315.848 3.124 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccn3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001140941860 1092072900 /nfs/dbraw/zinc/07/29/00/1092072900.db2.gz WSXPZTDEEQYHSO-GASCZTMLSA-N 2 1 315.848 3.124 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccn3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001140941860 1092072910 /nfs/dbraw/zinc/07/29/10/1092072910.db2.gz WSXPZTDEEQYHSO-GASCZTMLSA-N 2 1 315.848 3.124 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccn3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001140941860 1092072918 /nfs/dbraw/zinc/07/29/18/1092072918.db2.gz WSXPZTDEEQYHSO-GASCZTMLSA-N 2 1 315.848 3.124 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[NH+](CC4CCSCC4)C[C@@H]3C2)c1 ZINC001207706908 1092074546 /nfs/dbraw/zinc/07/45/46/1092074546.db2.gz FUBRTASWRIHCSM-HZPDHXFCSA-N 2 1 322.543 3.255 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001140970905 1092088386 /nfs/dbraw/zinc/08/83/86/1092088386.db2.gz YXULNUNNFXMNAI-ROUUACIJSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@H](C)CC ZINC001140967679 1092089392 /nfs/dbraw/zinc/08/93/92/1092089392.db2.gz AKBXYTAUDPEXDZ-QGZVFWFLSA-N 2 1 303.494 3.449 20 0 DGADMP CCC[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC1CC1 ZINC001140969117 1092089419 /nfs/dbraw/zinc/08/94/19/1092089419.db2.gz UTSMQWKYVIILOI-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP CCCC[N@@H+](CCC)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973420 1092090263 /nfs/dbraw/zinc/09/02/63/1092090263.db2.gz KCIKHMRSPBIUOW-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+][C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207769199 1092095041 /nfs/dbraw/zinc/09/50/41/1092095041.db2.gz ZSZVFBVKAPLJPF-FUMNGEBKSA-N 2 1 314.473 3.056 20 0 DGADMP CCCCc1nc(CN(C)CC[N@@H+](C)Cc2ccccc2)c[nH]1 ZINC001141073638 1092127682 /nfs/dbraw/zinc/12/76/82/1092127682.db2.gz KGPXJFGFSPIAMO-UHFFFAOYSA-N 2 1 314.477 3.316 20 0 DGADMP CCCCc1ncc(CN(C)CC[N@H+](C)Cc2ccccc2)[nH]1 ZINC001141073638 1092127691 /nfs/dbraw/zinc/12/76/91/1092127691.db2.gz KGPXJFGFSPIAMO-UHFFFAOYSA-N 2 1 314.477 3.316 20 0 DGADMP CCCCc1ncc(CN(C)CC[N@@H+](C)Cc2ccccc2)[nH]1 ZINC001141073638 1092127696 /nfs/dbraw/zinc/12/76/96/1092127696.db2.gz KGPXJFGFSPIAMO-UHFFFAOYSA-N 2 1 314.477 3.316 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CCN(C[C@H]3CCCCO3)CC1)C2 ZINC001207960383 1092158767 /nfs/dbraw/zinc/15/87/67/1092158767.db2.gz PEAAJWPVGPSNRV-HXUWFJFHSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CCN(C1CC[NH+](C[C@H]3CCCCO3)CC1)C2 ZINC001207960383 1092158774 /nfs/dbraw/zinc/15/87/74/1092158774.db2.gz PEAAJWPVGPSNRV-HXUWFJFHSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C[C@H]3CCCCO3)CC1)C2 ZINC001207960383 1092158780 /nfs/dbraw/zinc/15/87/80/1092158780.db2.gz PEAAJWPVGPSNRV-HXUWFJFHSA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C[C@H]3CCCCO3)CC1)C2 ZINC001207960383 1092158783 /nfs/dbraw/zinc/15/87/83/1092158783.db2.gz PEAAJWPVGPSNRV-HXUWFJFHSA-N 2 1 314.473 3.078 20 0 DGADMP C[C@H](CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000088684298 1092191074 /nfs/dbraw/zinc/19/10/74/1092191074.db2.gz TUDHCAOVDLDOMT-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000088684298 1092191078 /nfs/dbraw/zinc/19/10/78/1092191078.db2.gz TUDHCAOVDLDOMT-HBFSDRIKSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@@H+](CCCn1cccn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208086253 1092193208 /nfs/dbraw/zinc/19/32/08/1092193208.db2.gz IZLATLXFOSFXNR-UHFFFAOYSA-N 2 1 304.482 3.002 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208110243 1092198526 /nfs/dbraw/zinc/19/85/26/1092198526.db2.gz XZOAPGAVRSVCDN-INIZCTEOSA-N 2 1 304.478 3.290 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)c1 ZINC001208112656 1092200411 /nfs/dbraw/zinc/20/04/11/1092200411.db2.gz WPPRBQSTPYXZTL-KRWDZBQOSA-N 2 1 302.462 3.216 20 0 DGADMP C[NH+](C)CC1(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001208186244 1092248955 /nfs/dbraw/zinc/24/89/55/1092248955.db2.gz PUDCDGFDRFMKHW-OALUTQOASA-N 2 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CCCC1 ZINC001208186244 1092248969 /nfs/dbraw/zinc/24/89/69/1092248969.db2.gz PUDCDGFDRFMKHW-OALUTQOASA-N 3 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CCCC1 ZINC001208186244 1092248984 /nfs/dbraw/zinc/24/89/84/1092248984.db2.gz PUDCDGFDRFMKHW-OALUTQOASA-N 3 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001208186244 1092248994 /nfs/dbraw/zinc/24/89/94/1092248994.db2.gz PUDCDGFDRFMKHW-OALUTQOASA-N 3 1 321.553 3.447 20 0 DGADMP C[NH+](C)CC1(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001208186244 1092249006 /nfs/dbraw/zinc/24/90/06/1092249006.db2.gz PUDCDGFDRFMKHW-OALUTQOASA-N 3 1 321.553 3.447 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208184142 1092249343 /nfs/dbraw/zinc/24/93/43/1092249343.db2.gz KDRPWGNJJBHPEI-GOSISDBHSA-N 2 1 324.509 3.164 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)CCCC1 ZINC001208192736 1092255872 /nfs/dbraw/zinc/25/58/72/1092255872.db2.gz XZZFJVSNPPUESG-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208209012 1092269093 /nfs/dbraw/zinc/26/90/93/1092269093.db2.gz IYGJGWNKKJUEBI-KURKYZTESA-N 2 1 310.526 3.491 20 0 DGADMP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208209012 1092269106 /nfs/dbraw/zinc/26/91/06/1092269106.db2.gz IYGJGWNKKJUEBI-KURKYZTESA-N 2 1 310.526 3.491 20 0 DGADMP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208209012 1092269116 /nfs/dbraw/zinc/26/91/16/1092269116.db2.gz IYGJGWNKKJUEBI-KURKYZTESA-N 2 1 310.526 3.491 20 0 DGADMP C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC001208592397 1092418000 /nfs/dbraw/zinc/41/80/00/1092418000.db2.gz VEZSNUNMPKGBAC-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1(C)C ZINC001208592397 1092418002 /nfs/dbraw/zinc/41/80/02/1092418002.db2.gz VEZSNUNMPKGBAC-IBGZPJMESA-N 2 1 315.505 3.067 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612022 1092423596 /nfs/dbraw/zinc/42/35/96/1092423596.db2.gz KWAXIUBBHJCXIM-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612022 1092423606 /nfs/dbraw/zinc/42/36/06/1092423606.db2.gz KWAXIUBBHJCXIM-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612022 1092423615 /nfs/dbraw/zinc/42/36/15/1092423615.db2.gz KWAXIUBBHJCXIM-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001208612022 1092423628 /nfs/dbraw/zinc/42/36/28/1092423628.db2.gz KWAXIUBBHJCXIM-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccccc1C1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608081 1092425495 /nfs/dbraw/zinc/42/54/95/1092425495.db2.gz FWLSZTAQNRQGNT-INIZCTEOSA-N 2 1 302.462 3.216 20 0 DGADMP Cc1nc(C)c(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)[nH]1 ZINC001276570958 1092425525 /nfs/dbraw/zinc/42/55/25/1092425525.db2.gz ZWAFQFGONHUPTB-UHFFFAOYSA-N 2 1 316.493 3.257 20 0 DGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615135 1092427549 /nfs/dbraw/zinc/42/75/49/1092427549.db2.gz QACFAORVUMRMOF-QGZVFWFLSA-N 2 1 307.526 3.057 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208617387 1092432034 /nfs/dbraw/zinc/43/20/34/1092432034.db2.gz OVZHIPYMSZNNTA-OALUTQOASA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208617387 1092432040 /nfs/dbraw/zinc/43/20/40/1092432040.db2.gz OVZHIPYMSZNNTA-OALUTQOASA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC001208617387 1092432049 /nfs/dbraw/zinc/43/20/49/1092432049.db2.gz OVZHIPYMSZNNTA-OALUTQOASA-N 2 1 316.489 3.292 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169066570 1092519225 /nfs/dbraw/zinc/51/92/25/1092519225.db2.gz BRXLJUCZZAFBJH-FQEVSTJZSA-N 2 1 318.505 3.344 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@@H+]1CCc2nccn2CC1 ZINC001208829459 1092530517 /nfs/dbraw/zinc/53/05/17/1092530517.db2.gz CJWQUDSYKNQJIQ-UHFFFAOYSA-N 2 1 323.362 3.393 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208829459 1092530529 /nfs/dbraw/zinc/53/05/29/1092530529.db2.gz CJWQUDSYKNQJIQ-UHFFFAOYSA-N 2 1 323.362 3.393 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208829459 1092530541 /nfs/dbraw/zinc/53/05/41/1092530541.db2.gz CJWQUDSYKNQJIQ-UHFFFAOYSA-N 2 1 323.362 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001169102313 1092532061 /nfs/dbraw/zinc/53/20/61/1092532061.db2.gz ZMMYACPWFRJNDT-MPTYRVRUSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccc(C(F)(F)F)c1)C2 ZINC001169101668 1092532894 /nfs/dbraw/zinc/53/28/94/1092532894.db2.gz UXFRJSLZTVDTLC-PHZGNYQRSA-N 2 1 312.379 3.463 20 0 DGADMP COc1ccc(CC(C)(C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169116886 1092538859 /nfs/dbraw/zinc/53/88/59/1092538859.db2.gz SNKXVNUNCSKXIK-OSYLJGHBSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC001169116957 1092539530 /nfs/dbraw/zinc/53/95/30/1092539530.db2.gz UWTWDUUPEDHLNL-MUJYYYPQSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169116957 1092539548 /nfs/dbraw/zinc/53/95/48/1092539548.db2.gz UWTWDUUPEDHLNL-MUJYYYPQSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC001169116958 1092539815 /nfs/dbraw/zinc/53/98/15/1092539815.db2.gz UWTWDUUPEDHLNL-PHZGNYQRSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169116958 1092539826 /nfs/dbraw/zinc/53/98/26/1092539826.db2.gz UWTWDUUPEDHLNL-PHZGNYQRSA-N 2 1 300.446 3.289 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3F)CC1)C2 ZINC001169118074 1092541543 /nfs/dbraw/zinc/54/15/43/1092541543.db2.gz DEPVFEUFANENGU-OSYLJGHBSA-N 2 1 302.437 3.363 20 0 DGADMP Cc1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169124427 1092545937 /nfs/dbraw/zinc/54/59/37/1092545937.db2.gz CGZUVLZAJVJLQD-PIIMJCKOSA-N 2 1 314.473 3.463 20 0 DGADMP CC1(C)C[C@H](Nc2nc(NCC3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169136212 1092549252 /nfs/dbraw/zinc/54/92/52/1092549252.db2.gz FGXAUMOICRVLFX-KSSFIOAISA-N 2 1 317.481 3.254 20 0 DGADMP CC1(C)C[C@@H](Nc2nc(NCC3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169136213 1092549936 /nfs/dbraw/zinc/54/99/36/1092549936.db2.gz FGXAUMOICRVLFX-RDTXWAMCSA-N 2 1 317.481 3.254 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169139687 1092551763 /nfs/dbraw/zinc/55/17/63/1092551763.db2.gz DLKHTGDPSIZVFQ-FCGDIQPGSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139687 1092551773 /nfs/dbraw/zinc/55/17/73/1092551773.db2.gz DLKHTGDPSIZVFQ-FCGDIQPGSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169139687 1092551782 /nfs/dbraw/zinc/55/17/82/1092551782.db2.gz DLKHTGDPSIZVFQ-FCGDIQPGSA-N 2 1 314.473 3.463 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140210 1092555316 /nfs/dbraw/zinc/55/53/16/1092555316.db2.gz JAESLTXEYCWDEI-KYHPRHEASA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140210 1092555325 /nfs/dbraw/zinc/55/53/25/1092555325.db2.gz JAESLTXEYCWDEI-KYHPRHEASA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140210 1092555339 /nfs/dbraw/zinc/55/53/39/1092555339.db2.gz JAESLTXEYCWDEI-KYHPRHEASA-N 2 1 300.446 3.457 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001169142612 1092557888 /nfs/dbraw/zinc/55/78/88/1092557888.db2.gz DLOHZIUIUZMIMQ-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001169142612 1092557897 /nfs/dbraw/zinc/55/78/97/1092557897.db2.gz DLOHZIUIUZMIMQ-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001169142612 1092557908 /nfs/dbraw/zinc/55/79/08/1092557908.db2.gz DLOHZIUIUZMIMQ-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3ccc(O)cc3)CC1)C2 ZINC001169152638 1092565888 /nfs/dbraw/zinc/56/58/88/1092565888.db2.gz CWQKVHHQPXHVBR-PIIMJCKOSA-N 2 1 300.446 3.197 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169155000 1092569778 /nfs/dbraw/zinc/56/97/78/1092569778.db2.gz VOOIHMODWGWJEA-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169155000 1092569788 /nfs/dbraw/zinc/56/97/88/1092569788.db2.gz VOOIHMODWGWJEA-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169155000 1092569800 /nfs/dbraw/zinc/56/98/00/1092569800.db2.gz VOOIHMODWGWJEA-YRXWBPOGSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169156279 1092570134 /nfs/dbraw/zinc/57/01/34/1092570134.db2.gz WPHIDYIWPBXHJZ-NRSFXHEJSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156279 1092570146 /nfs/dbraw/zinc/57/01/46/1092570146.db2.gz WPHIDYIWPBXHJZ-NRSFXHEJSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156279 1092570154 /nfs/dbraw/zinc/57/01/54/1092570154.db2.gz WPHIDYIWPBXHJZ-NRSFXHEJSA-N 2 1 302.462 3.183 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(OC)cc3C)C[C@@H]2C1 ZINC001142948874 1092591945 /nfs/dbraw/zinc/59/19/45/1092591945.db2.gz FSGQEBZWAIPXQR-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cc(OC)cc3C)C[C@@H]2C1 ZINC001142948874 1092591951 /nfs/dbraw/zinc/59/19/51/1092591951.db2.gz FSGQEBZWAIPXQR-CALCHBBNSA-N 2 1 302.462 3.086 20 0 DGADMP COCC[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208931535 1092592419 /nfs/dbraw/zinc/59/24/19/1092592419.db2.gz AAYPFNJZQJXLNO-LJQANCHMSA-N 2 1 304.478 3.255 20 0 DGADMP COCC[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208931535 1092592427 /nfs/dbraw/zinc/59/24/27/1092592427.db2.gz AAYPFNJZQJXLNO-LJQANCHMSA-N 2 1 304.478 3.255 20 0 DGADMP COCC[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208931535 1092592430 /nfs/dbraw/zinc/59/24/30/1092592430.db2.gz AAYPFNJZQJXLNO-LJQANCHMSA-N 2 1 304.478 3.255 20 0 DGADMP COCC[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208931535 1092592434 /nfs/dbraw/zinc/59/24/34/1092592434.db2.gz AAYPFNJZQJXLNO-LJQANCHMSA-N 2 1 304.478 3.255 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@]4(CCOC4)C3)C2)cc1 ZINC001208930843 1092593494 /nfs/dbraw/zinc/59/34/94/1092593494.db2.gz FOWHCDIDKBZKEO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@]4(CCOC4)C3)C2)cc1 ZINC001208930843 1092593503 /nfs/dbraw/zinc/59/35/03/1092593503.db2.gz FOWHCDIDKBZKEO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@]4(CCOC4)C3)C2)cc1 ZINC001208930843 1092593511 /nfs/dbraw/zinc/59/35/11/1092593511.db2.gz FOWHCDIDKBZKEO-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208930846 1092593750 /nfs/dbraw/zinc/59/37/50/1092593750.db2.gz FOWHCDIDKBZKEO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208930846 1092593753 /nfs/dbraw/zinc/59/37/53/1092593753.db2.gz FOWHCDIDKBZKEO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208930846 1092593757 /nfs/dbraw/zinc/59/37/57/1092593757.db2.gz FOWHCDIDKBZKEO-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP C[N@@H+](CC1CCOCC1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930377 1092594043 /nfs/dbraw/zinc/59/40/43/1092594043.db2.gz APKRPPZMRFFKRM-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CC1CCOCC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930377 1092594049 /nfs/dbraw/zinc/59/40/49/1092594049.db2.gz APKRPPZMRFFKRM-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CC1CCOCC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930377 1092594060 /nfs/dbraw/zinc/59/40/60/1092594060.db2.gz APKRPPZMRFFKRM-HXUWFJFHSA-N 2 1 316.489 3.257 20 0 DGADMP COC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933887 1092597329 /nfs/dbraw/zinc/59/73/29/1092597329.db2.gz WQTAWNDEWYHDFP-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933887 1092597338 /nfs/dbraw/zinc/59/73/38/1092597338.db2.gz WQTAWNDEWYHDFP-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933887 1092597347 /nfs/dbraw/zinc/59/73/47/1092597347.db2.gz WQTAWNDEWYHDFP-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933887 1092597358 /nfs/dbraw/zinc/59/73/58/1092597358.db2.gz WQTAWNDEWYHDFP-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@]4(CCCO4)C3)C2)cc1 ZINC001208933842 1092598250 /nfs/dbraw/zinc/59/82/50/1092598250.db2.gz WJLPGCWXCYONLW-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@]4(CCCO4)C3)C2)cc1 ZINC001208933842 1092598259 /nfs/dbraw/zinc/59/82/59/1092598259.db2.gz WJLPGCWXCYONLW-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@]4(CCCO4)C3)C2)cc1 ZINC001208933842 1092598267 /nfs/dbraw/zinc/59/82/67/1092598267.db2.gz WJLPGCWXCYONLW-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1 ZINC001276601915 1092598876 /nfs/dbraw/zinc/59/88/76/1092598876.db2.gz OJTAIAQLOYPVQA-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C)c1 ZINC001276601915 1092598884 /nfs/dbraw/zinc/59/88/84/1092598884.db2.gz OJTAIAQLOYPVQA-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(C)c1 ZINC001276601915 1092598893 /nfs/dbraw/zinc/59/88/93/1092598893.db2.gz OJTAIAQLOYPVQA-HDICACEKSA-N 2 1 302.462 3.167 20 0 DGADMP CCCO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937912 1092600382 /nfs/dbraw/zinc/60/03/82/1092600382.db2.gz WGLHTUQFTJGHMN-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208937912 1092600385 /nfs/dbraw/zinc/60/03/85/1092600385.db2.gz WGLHTUQFTJGHMN-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCCO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208937912 1092600390 /nfs/dbraw/zinc/60/03/90/1092600390.db2.gz WGLHTUQFTJGHMN-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940212 1092602962 /nfs/dbraw/zinc/60/29/62/1092602962.db2.gz BATBLINJJOKZGF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940212 1092602964 /nfs/dbraw/zinc/60/29/64/1092602964.db2.gz BATBLINJJOKZGF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940212 1092602969 /nfs/dbraw/zinc/60/29/69/1092602969.db2.gz BATBLINJJOKZGF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCC1(O)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940129 1092604172 /nfs/dbraw/zinc/60/41/72/1092604172.db2.gz PYENWVIUWWZBSI-LJQANCHMSA-N 2 1 316.489 3.136 20 0 DGADMP CCOC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947397 1092605016 /nfs/dbraw/zinc/60/50/16/1092605016.db2.gz BMILIVLULZCYKD-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CN(Cc1ccc2nccn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143019030 1092605165 /nfs/dbraw/zinc/60/51/65/1092605165.db2.gz UCVLDDWRBZBNSL-LJQANCHMSA-N 2 1 320.440 3.041 20 0 DGADMP CCN(CCC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208947069 1092606723 /nfs/dbraw/zinc/60/67/23/1092606723.db2.gz YMQYFXSXSJLXFJ-FQEVSTJZSA-N 2 1 317.521 3.172 20 0 DGADMP CCO[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950954 1092608640 /nfs/dbraw/zinc/60/86/40/1092608640.db2.gz XTNGDJFRJAMBSH-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950954 1092608645 /nfs/dbraw/zinc/60/86/45/1092608645.db2.gz XTNGDJFRJAMBSH-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950954 1092608652 /nfs/dbraw/zinc/60/86/52/1092608652.db2.gz XTNGDJFRJAMBSH-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208956552 1092611534 /nfs/dbraw/zinc/61/15/34/1092611534.db2.gz BICSQNDWMJHJOW-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208956552 1092611535 /nfs/dbraw/zinc/61/15/35/1092611535.db2.gz BICSQNDWMJHJOW-VAMGGRTRSA-N 2 1 314.473 3.009 20 0 DGADMP CC[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001169240587 1092611817 /nfs/dbraw/zinc/61/18/17/1092611817.db2.gz AYNJDUCROWEAJX-UHFFFAOYSA-N 2 1 322.880 3.420 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3n[nH]cc32)CC1 ZINC001143095319 1092614067 /nfs/dbraw/zinc/61/40/67/1092614067.db2.gz KYGZNZDEDJEBNU-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001206005847 1092616284 /nfs/dbraw/zinc/61/62/84/1092616284.db2.gz ZABQHHYWNYHOIG-OLZOCXBDSA-N 2 1 312.889 3.213 20 0 DGADMP CC[NH+]1CCC(N2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001169258964 1092620409 /nfs/dbraw/zinc/62/04/09/1092620409.db2.gz WKDHIHBKIFKYOS-UHFFFAOYSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccnc(C(F)(F)F)c1)CC2 ZINC001276608136 1092624445 /nfs/dbraw/zinc/62/44/45/1092624445.db2.gz PHLMBHHORBRYPJ-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP CCOC(C)(C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209068518 1092640428 /nfs/dbraw/zinc/64/04/28/1092640428.db2.gz QUCLZYNOFZJSNZ-KDURUIRLSA-N 2 1 316.489 3.174 20 0 DGADMP CCOC(C)(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209068518 1092640434 /nfs/dbraw/zinc/64/04/34/1092640434.db2.gz QUCLZYNOFZJSNZ-KDURUIRLSA-N 2 1 316.489 3.174 20 0 DGADMP CCOC(C)(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209068518 1092640438 /nfs/dbraw/zinc/64/04/38/1092640438.db2.gz QUCLZYNOFZJSNZ-KDURUIRLSA-N 2 1 316.489 3.174 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209096412 1092649094 /nfs/dbraw/zinc/64/90/94/1092649094.db2.gz BUQMTEYOMKUFCM-IBGZPJMESA-N 2 1 324.509 3.308 20 0 DGADMP COC(=O)CCCCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209096412 1092649101 /nfs/dbraw/zinc/64/91/01/1092649101.db2.gz BUQMTEYOMKUFCM-IBGZPJMESA-N 2 1 324.509 3.308 20 0 DGADMP COC(=O)CCCCCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001209096412 1092649105 /nfs/dbraw/zinc/64/91/05/1092649105.db2.gz BUQMTEYOMKUFCM-IBGZPJMESA-N 2 1 324.509 3.308 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Cl ZINC001276626549 1092708920 /nfs/dbraw/zinc/70/89/20/1092708920.db2.gz WTYAGMKYFJNCSC-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1Cl ZINC001276626549 1092708929 /nfs/dbraw/zinc/70/89/29/1092708929.db2.gz WTYAGMKYFJNCSC-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1Cl ZINC001276626549 1092708940 /nfs/dbraw/zinc/70/89/40/1092708940.db2.gz WTYAGMKYFJNCSC-GASCZTMLSA-N 2 1 308.853 3.122 20 0 DGADMP COC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209406605 1092760995 /nfs/dbraw/zinc/76/09/95/1092760995.db2.gz RFQFKEPKBCHYNA-KDURUIRLSA-N 2 1 316.489 3.174 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209406605 1092761003 /nfs/dbraw/zinc/76/10/03/1092761003.db2.gz RFQFKEPKBCHYNA-KDURUIRLSA-N 2 1 316.489 3.174 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209406605 1092761007 /nfs/dbraw/zinc/76/10/07/1092761007.db2.gz RFQFKEPKBCHYNA-KDURUIRLSA-N 2 1 316.489 3.174 20 0 DGADMP CCOc1ccc(OC)cc1C[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001276660010 1092858332 /nfs/dbraw/zinc/85/83/32/1092858332.db2.gz BNZANWMDDJXPTF-MOPGFXCFSA-N 2 1 318.461 3.248 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc4[nH]cc(Cl)c43)C[C@@H]2C1 ZINC001209660264 1092867341 /nfs/dbraw/zinc/86/73/41/1092867341.db2.gz JLQJMNWPZYMZBN-KBPBESRZSA-N 2 1 303.837 3.205 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001209725388 1092893285 /nfs/dbraw/zinc/89/32/85/1092893285.db2.gz JUEFPRZSNTXWAQ-FXAWDEMLSA-N 2 1 323.440 3.033 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001209725388 1092893291 /nfs/dbraw/zinc/89/32/91/1092893291.db2.gz JUEFPRZSNTXWAQ-FXAWDEMLSA-N 2 1 323.440 3.033 20 0 DGADMP Oc1ccc2ccccc2c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210268540 1093103001 /nfs/dbraw/zinc/10/30/01/1093103001.db2.gz DWZOZANQZGTWCW-UHFFFAOYSA-N 2 1 320.396 3.094 20 0 DGADMP C[NH+]1CCC(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001276695412 1093399415 /nfs/dbraw/zinc/39/94/15/1093399415.db2.gz BJGBULPXSXTNHK-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP CCCC[C@@H](CC)CN1C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001276708801 1093722754 /nfs/dbraw/zinc/72/27/54/1093722754.db2.gz CIVGNRNONXPQPA-YZGWKJHDSA-N 2 1 321.553 3.209 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001276708801 1093722760 /nfs/dbraw/zinc/72/27/60/1093722760.db2.gz CIVGNRNONXPQPA-YZGWKJHDSA-N 2 1 321.553 3.209 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001276708801 1093722762 /nfs/dbraw/zinc/72/27/62/1093722762.db2.gz CIVGNRNONXPQPA-YZGWKJHDSA-N 2 1 321.553 3.209 20 0 DGADMP COc1cccc(CC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276709140 1093728431 /nfs/dbraw/zinc/72/84/31/1093728431.db2.gz FHOFTKVWWXSODY-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CC[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276709140 1093728435 /nfs/dbraw/zinc/72/84/35/1093728435.db2.gz FHOFTKVWWXSODY-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CC[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276709140 1093728443 /nfs/dbraw/zinc/72/84/43/1093728443.db2.gz FHOFTKVWWXSODY-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276739689 1094189228 /nfs/dbraw/zinc/18/92/28/1094189228.db2.gz FEQWKQKTYUZTAE-UHFFFAOYSA-N 2 1 316.489 3.436 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001119987898 1094336497 /nfs/dbraw/zinc/33/64/97/1094336497.db2.gz BXNVVLSKPPQGHL-GVDBMIGSSA-N 2 1 320.452 3.387 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001120573182 1094459906 /nfs/dbraw/zinc/45/99/06/1094459906.db2.gz AIXPFHSPIHQKJJ-KKXNLOMOSA-N 2 1 316.489 3.007 20 0 DGADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217695363 1094473687 /nfs/dbraw/zinc/47/36/87/1094473687.db2.gz IRMKLIJARNSHRC-MRXNPFEDSA-N 2 1 308.385 3.142 20 0 DGADMP CC(C)(C)c1ccc(-c2nnc([C@H]([NH3+])C3CC[NH2+]CC3)o2)cc1 ZINC001217732305 1094485694 /nfs/dbraw/zinc/48/56/94/1094485694.db2.gz AAKONSZNLQEZEK-OAHLLOKOSA-N 2 1 314.433 3.034 20 0 DGADMP F[C@@H]1CCC[NH2+]C[C@@H]1OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217775668 1094494405 /nfs/dbraw/zinc/49/44/05/1094494405.db2.gz WIRFTDYWMDSCQJ-OTWHNJEPSA-N 2 1 320.452 3.005 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCCC3CC[NH2+]CC3)C2)cc1 ZINC001217822343 1094500239 /nfs/dbraw/zinc/50/02/39/1094500239.db2.gz DPDYCEPJBHHNCZ-IBGZPJMESA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217823021 1094500463 /nfs/dbraw/zinc/50/04/63/1094500463.db2.gz KCRSBIROQDZAEM-FQEVSTJZSA-N 2 1 316.489 3.447 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217910592 1094515917 /nfs/dbraw/zinc/51/59/17/1094515917.db2.gz MILWSTFGJMQBIK-RDJZCZTQSA-N 2 1 322.880 3.321 20 0 DGADMP [NH3+]CCCCCCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001217912293 1094516017 /nfs/dbraw/zinc/51/60/17/1094516017.db2.gz UPRXEZUNBPIGMM-INIZCTEOSA-N 2 1 310.869 3.450 20 0 DGADMP [NH3+]CCCCCCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001217912294 1094516038 /nfs/dbraw/zinc/51/60/38/1094516038.db2.gz UPRXEZUNBPIGMM-MRXNPFEDSA-N 2 1 310.869 3.450 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC001217939271 1094521571 /nfs/dbraw/zinc/52/15/71/1094521571.db2.gz ORLKHLOEKSURCO-JXFKEZNVSA-N 2 1 310.441 3.182 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1cccc(C[NH3+])c1 ZINC001217968229 1094534538 /nfs/dbraw/zinc/53/45/38/1094534538.db2.gz XTVPXQVCYZBVCG-OXQOHEQNSA-N 2 1 310.441 3.435 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc4c(c3)COC4)CC2)C1 ZINC001276766923 1094560393 /nfs/dbraw/zinc/56/03/93/1094560393.db2.gz LDDSGKPIDLRPLH-UHFFFAOYSA-N 2 1 300.446 3.025 20 0 DGADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586243 1094585682 /nfs/dbraw/zinc/58/56/82/1094585682.db2.gz ZJZMKRPJHFHWIS-CVEARBPZSA-N 2 1 322.497 3.070 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170828343 1094593279 /nfs/dbraw/zinc/59/32/79/1094593279.db2.gz ZQSRMHGYDPRHTO-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOCC1 ZINC001170832108 1094602210 /nfs/dbraw/zinc/60/22/10/1094602210.db2.gz UXKMPMFFFJXAPB-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOCC1 ZINC001170831412 1094609362 /nfs/dbraw/zinc/60/93/62/1094609362.db2.gz ONUYLZQKSJJMEP-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOCC1 ZINC001170831412 1094609364 /nfs/dbraw/zinc/60/93/64/1094609364.db2.gz ONUYLZQKSJJMEP-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOCC1 ZINC001170831412 1094609370 /nfs/dbraw/zinc/60/93/70/1094609370.db2.gz ONUYLZQKSJJMEP-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3-n3cccn3)C2)C1 ZINC001276775295 1094644756 /nfs/dbraw/zinc/64/47/56/1094644756.db2.gz IDJWCDLWPAWUDG-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccccc3-n3cccn3)C2)C1 ZINC001276775295 1094644766 /nfs/dbraw/zinc/64/47/66/1094644766.db2.gz IDJWCDLWPAWUDG-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccccc3-n3cccn3)C2)C1 ZINC001276775295 1094644771 /nfs/dbraw/zinc/64/47/71/1094644771.db2.gz IDJWCDLWPAWUDG-FQEVSTJZSA-N 2 1 324.472 3.180 20 0 DGADMP CC[C@@]1(c2cccc(O[C@@H](C)C3C[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218198801 1094654328 /nfs/dbraw/zinc/65/43/28/1094654328.db2.gz ROWWBBYGFJRZIQ-OXJNMPFZSA-N 2 1 316.489 3.437 20 0 DGADMP [NH3+]Cc1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC001218342637 1094728835 /nfs/dbraw/zinc/72/88/35/1094728835.db2.gz YMWMNTIWWXLXEL-KXTWHKPSSA-N 2 1 322.452 3.435 20 0 DGADMP [NH3+]Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001218389592 1094744949 /nfs/dbraw/zinc/74/49/49/1094744949.db2.gz BFNWPHUQFHKOOA-KRWDZBQOSA-N 2 1 314.404 3.328 20 0 DGADMP [NH3+]Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218411031 1094760608 /nfs/dbraw/zinc/76/06/08/1094760608.db2.gz VHIFXMLKROTXAT-KRWDZBQOSA-N 2 1 316.832 3.452 20 0 DGADMP Cc1ccc2nc(CN3CCC[C@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001276784965 1094766467 /nfs/dbraw/zinc/76/64/67/1094766467.db2.gz PNTIYTJCKYMESR-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)ccc2c1 ZINC001276784965 1094766474 /nfs/dbraw/zinc/76/64/74/1094766474.db2.gz PNTIYTJCKYMESR-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001276784965 1094766488 /nfs/dbraw/zinc/76/64/88/1094766488.db2.gz PNTIYTJCKYMESR-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001276784965 1094766498 /nfs/dbraw/zinc/76/64/98/1094766498.db2.gz PNTIYTJCKYMESR-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001276784965 1094766510 /nfs/dbraw/zinc/76/65/10/1094766510.db2.gz PNTIYTJCKYMESR-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(CN3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001276784964 1094767209 /nfs/dbraw/zinc/76/72/09/1094767209.db2.gz PNTIYTJCKYMESR-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)ccc2c1 ZINC001276784964 1094767222 /nfs/dbraw/zinc/76/72/22/1094767222.db2.gz PNTIYTJCKYMESR-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001276784964 1094767233 /nfs/dbraw/zinc/76/72/33/1094767233.db2.gz PNTIYTJCKYMESR-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001276784964 1094767245 /nfs/dbraw/zinc/76/72/45/1094767245.db2.gz PNTIYTJCKYMESR-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001276784964 1094767257 /nfs/dbraw/zinc/76/72/57/1094767257.db2.gz PNTIYTJCKYMESR-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cn1 ZINC001336887674 1094772208 /nfs/dbraw/zinc/77/22/08/1094772208.db2.gz DXGKANGORBYGNA-BJLQDIEVSA-N 2 1 315.505 3.442 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC001336889262 1094774583 /nfs/dbraw/zinc/77/45/83/1094774583.db2.gz QKQFWKIJWGQDPZ-BPQIPLTHSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C[C@H]2C1 ZINC001336890086 1094774763 /nfs/dbraw/zinc/77/47/63/1094774763.db2.gz ZZSJGUCQTCWMAK-KZNAEPCWSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C[C@@H]2C1 ZINC001336890085 1094774824 /nfs/dbraw/zinc/77/48/24/1094774824.db2.gz ZZSJGUCQTCWMAK-FGTMMUONSA-N 2 1 324.472 3.239 20 0 DGADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001336888927 1094774887 /nfs/dbraw/zinc/77/48/87/1094774887.db2.gz PBDGKVOJSXUGSQ-RRFJBIMHSA-N 2 1 307.507 3.429 20 0 DGADMP [NH3+]Cc1ccccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001218440466 1094775198 /nfs/dbraw/zinc/77/51/98/1094775198.db2.gz DYGRASTVUHMIDC-SFHLNBCPSA-N 2 1 322.452 3.435 20 0 DGADMP [NH3+]Cc1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001218442698 1094777361 /nfs/dbraw/zinc/77/73/61/1094777361.db2.gz UUAFSOKWDHUZFO-HLAWJBBLSA-N 2 1 322.452 3.435 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534907 1095011247 /nfs/dbraw/zinc/01/12/47/1095011247.db2.gz NNDXAMDYPATPRP-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534907 1095011261 /nfs/dbraw/zinc/01/12/61/1095011261.db2.gz NNDXAMDYPATPRP-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000313676987 1095017043 /nfs/dbraw/zinc/01/70/43/1095017043.db2.gz JJZUHDLFYBNYEI-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000313676987 1095017054 /nfs/dbraw/zinc/01/70/54/1095017054.db2.gz JJZUHDLFYBNYEI-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000314091927 1095034165 /nfs/dbraw/zinc/03/41/65/1095034165.db2.gz XUYQLYSGIQNFST-CYBMUJFWSA-N 2 1 302.340 3.146 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCCC[NH2+]C1 ZINC000697080561 1095041587 /nfs/dbraw/zinc/04/15/87/1095041587.db2.gz COFCJJXQONYCAJ-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)C[C@H]1CCCC[NH2+]C1 ZINC000697080561 1095041601 /nfs/dbraw/zinc/04/16/01/1095041601.db2.gz COFCJJXQONYCAJ-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(F)cc1F ZINC001276813364 1095093942 /nfs/dbraw/zinc/09/39/42/1095093942.db2.gz ONISSSHERIGYTH-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(F)cc1F ZINC001276813364 1095093954 /nfs/dbraw/zinc/09/39/54/1095093954.db2.gz ONISSSHERIGYTH-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC000315968514 1095150571 /nfs/dbraw/zinc/15/05/71/1095150571.db2.gz YFHCESKHBBEKEH-DLBZAZTESA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC000315968514 1095150581 /nfs/dbraw/zinc/15/05/81/1095150581.db2.gz YFHCESKHBBEKEH-DLBZAZTESA-N 2 1 300.446 3.117 20 0 DGADMP c1csc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CCCC2)c1 ZINC000316782980 1095190307 /nfs/dbraw/zinc/19/03/07/1095190307.db2.gz VZBOFEMURMQVLB-XYJFISCASA-N 2 1 320.502 3.432 20 0 DGADMP c1csc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CCCC2)c1 ZINC000316782980 1095190319 /nfs/dbraw/zinc/19/03/19/1095190319.db2.gz VZBOFEMURMQVLB-XYJFISCASA-N 2 1 320.502 3.432 20 0 DGADMP COc1ncc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1C ZINC001137007447 1095282181 /nfs/dbraw/zinc/28/21/81/1095282181.db2.gz DQTGWFHIWFJYHP-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1C ZINC001137007447 1095282194 /nfs/dbraw/zinc/28/21/94/1095282194.db2.gz DQTGWFHIWFJYHP-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1C ZINC001137007447 1095282208 /nfs/dbraw/zinc/28/22/08/1095282208.db2.gz DQTGWFHIWFJYHP-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1C ZINC001137007447 1095282221 /nfs/dbraw/zinc/28/22/21/1095282221.db2.gz DQTGWFHIWFJYHP-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1C ZINC001137007447 1095282230 /nfs/dbraw/zinc/28/22/30/1095282230.db2.gz DQTGWFHIWFJYHP-ROUUACIJSA-N 2 1 317.477 3.237 20 0 DGADMP CC/C=C\CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805798 1095396013 /nfs/dbraw/zinc/39/60/13/1095396013.db2.gz GUVFSHLPDOKYFP-SREVYHEPSA-N 2 1 323.525 3.093 20 0 DGADMP COc1c(F)cc(C[N@H+](C)C2CCN(C)CC2)cc1Cl ZINC001143837390 1095404986 /nfs/dbraw/zinc/40/49/86/1095404986.db2.gz PNTQUJXSLVXLGK-UHFFFAOYSA-N 2 1 300.805 3.014 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001115996754 1095431669 /nfs/dbraw/zinc/43/16/69/1095431669.db2.gz LMMVYFSEIJDEDV-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222149515 1095459741 /nfs/dbraw/zinc/45/97/41/1095459741.db2.gz ZWFOOVPJZFZYEH-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP COc1cccc(CC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222154279 1095461328 /nfs/dbraw/zinc/46/13/28/1095461328.db2.gz JMHMDODHLUPNLC-HXUWFJFHSA-N 2 1 316.489 3.484 20 0 DGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154936 1095463041 /nfs/dbraw/zinc/46/30/41/1095463041.db2.gz UHWUOVDZPIQUDC-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154936 1095463045 /nfs/dbraw/zinc/46/30/45/1095463045.db2.gz UHWUOVDZPIQUDC-FQEVSTJZSA-N 2 1 310.441 3.424 20 0 DGADMP c1cnc2cc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160757 1095466527 /nfs/dbraw/zinc/46/65/27/1095466527.db2.gz ILYBOJDJJGQJJE-HXUWFJFHSA-N 2 1 324.472 3.376 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160757 1095466536 /nfs/dbraw/zinc/46/65/36/1095466536.db2.gz ILYBOJDJJGQJJE-HXUWFJFHSA-N 2 1 324.472 3.376 20 0 DGADMP CCCn1ncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1C ZINC001222160241 1095467690 /nfs/dbraw/zinc/46/76/90/1095467690.db2.gz CXAOEYLKWYFAAL-LJQANCHMSA-N 2 1 318.509 3.347 20 0 DGADMP CCCn1ncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1C ZINC001222160241 1095467693 /nfs/dbraw/zinc/46/76/93/1095467693.db2.gz CXAOEYLKWYFAAL-LJQANCHMSA-N 2 1 318.509 3.347 20 0 DGADMP Cc1cc(O)cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167764 1095472965 /nfs/dbraw/zinc/47/29/65/1095472965.db2.gz QLTJTBZUMGYRPD-IBGZPJMESA-N 2 1 302.462 3.446 20 0 DGADMP Oc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222168129 1095473303 /nfs/dbraw/zinc/47/33/03/1095473303.db2.gz VFQVDCXKIARLGD-SFHVURJKSA-N 2 1 306.425 3.277 20 0 DGADMP Oc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222168129 1095473307 /nfs/dbraw/zinc/47/33/07/1095473307.db2.gz VFQVDCXKIARLGD-SFHVURJKSA-N 2 1 306.425 3.277 20 0 DGADMP CC(C)(C)c1nc[nH]c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167747 1095473568 /nfs/dbraw/zinc/47/35/68/1095473568.db2.gz QADQRMUCJKIHBI-LJQANCHMSA-N 2 1 318.509 3.453 20 0 DGADMP CC(C)(C)c1nc[nH]c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167747 1095473578 /nfs/dbraw/zinc/47/35/78/1095473578.db2.gz QADQRMUCJKIHBI-LJQANCHMSA-N 2 1 318.509 3.453 20 0 DGADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167876 1095473712 /nfs/dbraw/zinc/47/37/12/1095473712.db2.gz UILDPIHEGXMNCI-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP COc1c(O)cccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167876 1095473715 /nfs/dbraw/zinc/47/37/15/1095473715.db2.gz UILDPIHEGXMNCI-IBGZPJMESA-N 2 1 318.461 3.147 20 0 DGADMP CCOc1ncccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167226 1095473819 /nfs/dbraw/zinc/47/38/19/1095473819.db2.gz IIMLCVPNARYOKE-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP CCOc1ncccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167226 1095473825 /nfs/dbraw/zinc/47/38/25/1095473825.db2.gz IIMLCVPNARYOKE-IBGZPJMESA-N 2 1 317.477 3.226 20 0 DGADMP Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222208511 1095493438 /nfs/dbraw/zinc/49/34/38/1095493438.db2.gz OMXFSBRGBNYTCZ-UHFFFAOYSA-N 2 1 303.208 3.318 20 0 DGADMP Fc1cccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c21 ZINC001222264701 1095520269 /nfs/dbraw/zinc/52/02/69/1095520269.db2.gz GMAIANHVXJCDRM-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1cccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c21 ZINC001222264701 1095520278 /nfs/dbraw/zinc/52/02/78/1095520278.db2.gz GMAIANHVXJCDRM-GOSISDBHSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1ccc2[nH]cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222264950 1095520465 /nfs/dbraw/zinc/52/04/65/1095520465.db2.gz LNJNOFWAJDHOMV-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP Fc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222264950 1095520470 /nfs/dbraw/zinc/52/04/70/1095520470.db2.gz LNJNOFWAJDHOMV-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP C[N@H+](Cc1cc(Cl)c(F)cc1F)CC1CC[NH+](C)CC1 ZINC001144129161 1095531391 /nfs/dbraw/zinc/53/13/91/1095531391.db2.gz AZNPYHIWCPGEDY-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222310378 1095544232 /nfs/dbraw/zinc/54/42/32/1095544232.db2.gz ULASZAWARCBHGF-QGZVFWFLSA-N 2 1 310.388 3.396 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222314870 1095545709 /nfs/dbraw/zinc/54/57/09/1095545709.db2.gz JUJGBWMLUOBFLY-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222314870 1095545718 /nfs/dbraw/zinc/54/57/18/1095545718.db2.gz JUJGBWMLUOBFLY-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1c(Cl)cccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316855 1095548604 /nfs/dbraw/zinc/54/86/04/1095548604.db2.gz ZXYXLVFLIMIVIA-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316855 1095548609 /nfs/dbraw/zinc/54/86/09/1095548609.db2.gz ZXYXLVFLIMIVIA-QGZVFWFLSA-N 2 1 308.853 3.457 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379996 1095581030 /nfs/dbraw/zinc/58/10/30/1095581030.db2.gz PSMKFESFVWXVLL-INIZCTEOSA-N 2 1 300.490 3.458 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222389594 1095587566 /nfs/dbraw/zinc/58/75/66/1095587566.db2.gz CJNZGDWQXOOGFJ-HXUWFJFHSA-N 2 1 324.472 3.289 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401517 1095596364 /nfs/dbraw/zinc/59/63/64/1095596364.db2.gz UYBVTGMWEBTBRO-GOSISDBHSA-N 2 1 308.510 3.461 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222400930 1095596379 /nfs/dbraw/zinc/59/63/79/1095596379.db2.gz NZQVHWSVLHULPN-UHFFFAOYSA-N 2 1 302.462 3.012 20 0 DGADMP Cc1c(Cl)ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1C ZINC001222407028 1095600385 /nfs/dbraw/zinc/60/03/85/1095600385.db2.gz ACLBODGUHURKNU-UHFFFAOYSA-N 2 1 322.880 3.159 20 0 DGADMP Cn1ccc2c1cccc2C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276830609 1095641437 /nfs/dbraw/zinc/64/14/37/1095641437.db2.gz PXQFWWRDTDMFIJ-UHFFFAOYSA-N 2 1 311.473 3.486 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602706 1095687266 /nfs/dbraw/zinc/68/72/66/1095687266.db2.gz XSAMQWCMOOKSHW-HXUWFJFHSA-N 2 1 322.452 3.198 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(C)c1O ZINC001222602277 1095687552 /nfs/dbraw/zinc/68/75/52/1095687552.db2.gz MLQCPOVXYXKDDV-IBGZPJMESA-N 2 1 322.452 3.198 20 0 DGADMP COc1ccc(C)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222614924 1095695284 /nfs/dbraw/zinc/69/52/84/1095695284.db2.gz KZOLTLVCPQQXDS-HXUWFJFHSA-N 2 1 322.452 3.193 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCCc4ccccc43)CC2)O1 ZINC001222615165 1095695493 /nfs/dbraw/zinc/69/54/93/1095695493.db2.gz MBYFRAFGHMMMLH-KRWDZBQOSA-N 2 1 314.473 3.081 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001222623453 1095697647 /nfs/dbraw/zinc/69/76/47/1095697647.db2.gz JNOSQRPZIXVAAI-OXJNMPFZSA-N 2 1 324.424 3.368 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001222623188 1095697812 /nfs/dbraw/zinc/69/78/12/1095697812.db2.gz FJAZRDPEPBQYFE-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP Fc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1C(F)(F)F ZINC001222624266 1095699576 /nfs/dbraw/zinc/69/95/76/1095699576.db2.gz VWKDNQUSSDILPZ-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP Fc1ccccc1-n1cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623966 1095701554 /nfs/dbraw/zinc/70/15/54/1095701554.db2.gz QUHCDFWQRREHDJ-IYBDPMFKSA-N 2 1 313.420 3.048 20 0 DGADMP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001138102590 1095880661 /nfs/dbraw/zinc/88/06/61/1095880661.db2.gz SPURODUWWDGJKA-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001138103853 1095880891 /nfs/dbraw/zinc/88/08/91/1095880891.db2.gz GXULCCXTRUXECP-GOSISDBHSA-N 2 1 312.413 3.442 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001138103853 1095880912 /nfs/dbraw/zinc/88/09/12/1095880912.db2.gz GXULCCXTRUXECP-GOSISDBHSA-N 2 1 312.413 3.442 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C1 ZINC001276872248 1095904160 /nfs/dbraw/zinc/90/41/60/1095904160.db2.gz FJWPKOBSWYVJRY-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC001118059260 1095927683 /nfs/dbraw/zinc/92/76/83/1095927683.db2.gz LYBBJLVTBCYQIQ-JMCQJSRRSA-N 2 1 303.631 3.027 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3F)C[C@H]2CC1 ZINC001276875887 1095912501 /nfs/dbraw/zinc/91/25/01/1095912501.db2.gz KVEVHCKZZPBOFG-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3F)C[C@H]2CC1 ZINC001276875887 1095912513 /nfs/dbraw/zinc/91/25/13/1095912513.db2.gz KVEVHCKZZPBOFG-TXEJJXNPSA-N 2 1 314.807 3.392 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001118103323 1095935886 /nfs/dbraw/zinc/93/58/86/1095935886.db2.gz SDEVOGQVPBPLTE-OLZOCXBDSA-N 2 1 316.276 3.259 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC001118121484 1095938580 /nfs/dbraw/zinc/93/85/80/1095938580.db2.gz FWCHOVZGIMKWTA-HZPDHXFCSA-N 2 1 314.477 3.446 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC001340513662 1095966524 /nfs/dbraw/zinc/96/65/24/1095966524.db2.gz HLONEGDWSMHXIH-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001340527310 1095970736 /nfs/dbraw/zinc/97/07/36/1095970736.db2.gz LGDFFZPHMKNSCC-DJIMGWMZSA-N 2 1 318.461 3.199 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])CC(C)C)c2C1 ZINC001340843565 1096050652 /nfs/dbraw/zinc/05/06/52/1096050652.db2.gz ICRKEWKMEYDYGE-OAHLLOKOSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])CC(C)C)c2C1 ZINC001340843565 1096050660 /nfs/dbraw/zinc/05/06/60/1096050660.db2.gz ICRKEWKMEYDYGE-OAHLLOKOSA-N 2 1 303.450 3.114 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc3c(c2)CCC3)[C@H]2CCC[C@@H]21 ZINC001340981911 1096085271 /nfs/dbraw/zinc/08/52/71/1096085271.db2.gz SHYDTXPEDAIIQQ-AABGKKOBSA-N 2 1 314.473 3.017 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930786 1096107739 /nfs/dbraw/zinc/10/77/39/1096107739.db2.gz PLPOLRCASDRQAE-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930786 1096107744 /nfs/dbraw/zinc/10/77/44/1096107744.db2.gz PLPOLRCASDRQAE-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP C[NH+](C)CC[C@@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224130871 1096141490 /nfs/dbraw/zinc/14/14/90/1096141490.db2.gz LIXYEKVKKJHBDW-YDZRNGNQSA-N 2 1 302.462 3.321 20 0 DGADMP C[NH+]1CCC(CO[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001224452252 1096216360 /nfs/dbraw/zinc/21/63/60/1096216360.db2.gz DZEFZCBRQWRGMK-GOSISDBHSA-N 2 1 320.452 3.149 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@H]1CCCC[NH+]1C ZINC001224701405 1096266740 /nfs/dbraw/zinc/26/67/40/1096266740.db2.gz FPMYDPYKALPXAE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@H]1CCCC[N@@H+]1C ZINC001224701405 1096266744 /nfs/dbraw/zinc/26/67/44/1096266744.db2.gz FPMYDPYKALPXAE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224701405 1096266750 /nfs/dbraw/zinc/26/67/50/1096266750.db2.gz FPMYDPYKALPXAE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC[NH+]1CCCC1 ZINC001224744348 1096276981 /nfs/dbraw/zinc/27/69/81/1096276981.db2.gz JRJJXJIKIRMMCU-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[NH+]1C ZINC001224816773 1096291097 /nfs/dbraw/zinc/29/10/97/1096291097.db2.gz AFJMQMTXDRBCIZ-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[N@@H+]1C ZINC001224816773 1096291103 /nfs/dbraw/zinc/29/11/03/1096291103.db2.gz AFJMQMTXDRBCIZ-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224816773 1096291109 /nfs/dbraw/zinc/29/11/09/1096291109.db2.gz AFJMQMTXDRBCIZ-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](OCCC[NH+]3CCCCC3)C2)cc1 ZINC001224855102 1096301234 /nfs/dbraw/zinc/30/12/34/1096301234.db2.gz LYIALAHHIFXPOR-LJQANCHMSA-N 2 1 302.462 3.154 20 0 DGADMP C[NH+](C)Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001225329442 1096396944 /nfs/dbraw/zinc/39/69/44/1096396944.db2.gz BJYXQCHTCRHPNN-FQEVSTJZSA-N 2 1 310.441 3.402 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171381117 1096618580 /nfs/dbraw/zinc/61/85/80/1096618580.db2.gz BMOIUWJUICBZKY-HLLBOEOZSA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171381117 1096618582 /nfs/dbraw/zinc/61/85/82/1096618582.db2.gz BMOIUWJUICBZKY-HLLBOEOZSA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171381117 1096618585 /nfs/dbraw/zinc/61/85/85/1096618585.db2.gz BMOIUWJUICBZKY-HLLBOEOZSA-N 2 1 320.427 3.096 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171497578 1096901953 /nfs/dbraw/zinc/90/19/53/1096901953.db2.gz VWCUBLKLLZGJES-MRXNPFEDSA-N 2 1 310.432 3.486 20 0 DGADMP Cc1cccc2c1CC[C@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001171566528 1096925172 /nfs/dbraw/zinc/92/51/72/1096925172.db2.gz JZTIOQNZPJLZPU-IBGZPJMESA-N 2 1 310.485 3.270 20 0 DGADMP Cc1cccc2c1CC[C@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001171566528 1096925174 /nfs/dbraw/zinc/92/51/74/1096925174.db2.gz JZTIOQNZPJLZPU-IBGZPJMESA-N 2 1 310.485 3.270 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cnc3ccccn23)CC1(C)C ZINC001171613167 1096934839 /nfs/dbraw/zinc/93/48/39/1096934839.db2.gz GUXAFXNJCVGCRU-UHFFFAOYSA-N 2 1 300.450 3.075 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@](C)(CO)c2ccccc2)CC1(C)C ZINC001171626336 1096938352 /nfs/dbraw/zinc/93/83/52/1096938352.db2.gz ZEUARTIQDAMOJN-IBGZPJMESA-N 2 1 304.478 3.135 20 0 DGADMP CCC[NH+](CCC)CCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727093 1096955601 /nfs/dbraw/zinc/95/56/01/1096955601.db2.gz PFXMLNMIGCDJCU-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@H]1C[C@H](n2cc3cc(C[NH3+])ccc3n2)C[N@H+]1Cc1ccccc1 ZINC001171726585 1096956025 /nfs/dbraw/zinc/95/60/25/1096956025.db2.gz YJGKDIPLXJOGKX-KXBFYZLASA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](n2cnc3ccc(C[NH3+])cc32)C[N@H+]1Cc1ccccc1 ZINC001171729936 1096957020 /nfs/dbraw/zinc/95/70/20/1096957020.db2.gz VKQAUBZANRSNIW-QAPCUYQASA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001171759290 1096963878 /nfs/dbraw/zinc/96/38/78/1096963878.db2.gz IKIADHFLRCEJFR-BHIYHBOVSA-N 2 1 324.472 3.186 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001171958540 1097004498 /nfs/dbraw/zinc/00/44/98/1097004498.db2.gz BBTWUZIELDBISJ-GXTWGEPZSA-N 2 1 300.368 3.178 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961550 1097005693 /nfs/dbraw/zinc/00/56/93/1097005693.db2.gz AESADDKMCFYJHM-IBGZPJMESA-N 2 1 316.489 3.446 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963731 1097006007 /nfs/dbraw/zinc/00/60/07/1097006007.db2.gz IXNPMPCYDJXPTK-LJQANCHMSA-N 3 1 317.521 3.361 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171963731 1097006012 /nfs/dbraw/zinc/00/60/12/1097006012.db2.gz IXNPMPCYDJXPTK-LJQANCHMSA-N 2 1 317.521 3.361 20 0 DGADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC001171964048 1097006031 /nfs/dbraw/zinc/00/60/31/1097006031.db2.gz KANLGNOZFYZDPR-QGZVFWFLSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[C@@H](NCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964667 1097006246 /nfs/dbraw/zinc/00/62/46/1097006246.db2.gz MEBHPYDFJGKCKO-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP CC1(C)C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171962694 1097006746 /nfs/dbraw/zinc/00/67/46/1097006746.db2.gz CKOAJBABLUZSQG-IPMKNSEASA-N 2 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962694 1097006750 /nfs/dbraw/zinc/00/67/50/1097006750.db2.gz CKOAJBABLUZSQG-IPMKNSEASA-N 3 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171962694 1097006754 /nfs/dbraw/zinc/00/67/54/1097006754.db2.gz CKOAJBABLUZSQG-IPMKNSEASA-N 3 1 315.505 3.289 20 0 DGADMP CCOC(=O)C1(C)CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001171948574 1097014963 /nfs/dbraw/zinc/01/49/63/1097014963.db2.gz PRFPDAITVKLMID-MUYFXNHWSA-N 2 1 324.509 3.339 20 0 DGADMP COC[C@H]1CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171990151 1097015481 /nfs/dbraw/zinc/01/54/81/1097015481.db2.gz KYSIBUUIDYJLPR-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@H]1CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990151 1097015487 /nfs/dbraw/zinc/01/54/87/1097015487.db2.gz KYSIBUUIDYJLPR-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP COC[C@H]1CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171990151 1097015492 /nfs/dbraw/zinc/01/54/92/1097015492.db2.gz KYSIBUUIDYJLPR-QZTJIDSGSA-N 2 1 302.462 3.150 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171970118 1097019922 /nfs/dbraw/zinc/01/99/22/1097019922.db2.gz YPKUXFOBBGYUHE-RBUKOAKNSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171979610 1097027765 /nfs/dbraw/zinc/02/77/65/1097027765.db2.gz PGRKQYHUOCIHLI-UYAOXDASSA-N 2 1 316.489 3.446 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC001171981373 1097028122 /nfs/dbraw/zinc/02/81/22/1097028122.db2.gz WVPSPHRNVBBODC-OALUTQOASA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+](CC1(C)COC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985577 1097029238 /nfs/dbraw/zinc/02/92/38/1097029238.db2.gz YGHRYANVLLNNLB-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](CC1(C)COC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985577 1097029240 /nfs/dbraw/zinc/02/92/40/1097029240.db2.gz YGHRYANVLLNNLB-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](CC1(C)COC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985577 1097029243 /nfs/dbraw/zinc/02/92/43/1097029243.db2.gz YGHRYANVLLNNLB-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP CN(CC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076729 1097037518 /nfs/dbraw/zinc/03/75/18/1097037518.db2.gz HAWUCQSZXNJFNH-PMOLBWCYSA-N 2 1 315.505 3.066 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCOCC2)C3)cc1 ZINC001172079750 1097037567 /nfs/dbraw/zinc/03/75/67/1097037567.db2.gz QTEZPAUIBCJGNH-ACDBMABISA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCOCC2)C3)cc1 ZINC001172079750 1097037573 /nfs/dbraw/zinc/03/75/73/1097037573.db2.gz QTEZPAUIBCJGNH-ACDBMABISA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCCOCC2)C3)cc1 ZINC001172079750 1097037579 /nfs/dbraw/zinc/03/75/79/1097037579.db2.gz QTEZPAUIBCJGNH-ACDBMABISA-N 2 1 314.473 3.294 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCCOCC2)C3)cc1 ZINC001172079750 1097037584 /nfs/dbraw/zinc/03/75/84/1097037584.db2.gz QTEZPAUIBCJGNH-ACDBMABISA-N 2 1 314.473 3.294 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076534 1097038471 /nfs/dbraw/zinc/03/84/71/1097038471.db2.gz FLWGGKCQRMGPMK-LJDSDSDDSA-N 2 1 313.489 3.042 20 0 DGADMP Cn1c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1C(F)(F)F ZINC001172098855 1097041688 /nfs/dbraw/zinc/04/16/88/1097041688.db2.gz GVSMTNAKXCURBP-CLLJXQQHSA-N 2 1 315.383 3.149 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100931 1097041832 /nfs/dbraw/zinc/04/18/32/1097041832.db2.gz UPPBTQSAIHTIGB-NKGKWGDASA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100931 1097041838 /nfs/dbraw/zinc/04/18/38/1097041838.db2.gz UPPBTQSAIHTIGB-NKGKWGDASA-N 2 1 316.445 3.139 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3ccc(F)cc31)C2 ZINC001172100773 1097041988 /nfs/dbraw/zinc/04/19/88/1097041988.db2.gz SUZZZRLFPKKQCE-IVSAIRAKSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3ccc(F)cc31)C2 ZINC001172100773 1097041996 /nfs/dbraw/zinc/04/19/96/1097041996.db2.gz SUZZZRLFPKKQCE-IVSAIRAKSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)C2 ZINC001172099118 1097043053 /nfs/dbraw/zinc/04/30/53/1097043053.db2.gz IWIPUNOOPLYRDE-MUJYYYPQSA-N 2 1 308.853 3.324 20 0 DGADMP CO[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068832 1097045370 /nfs/dbraw/zinc/04/53/70/1097045370.db2.gz LHKQJXAPRBYDME-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068832 1097045374 /nfs/dbraw/zinc/04/53/74/1097045374.db2.gz LHKQJXAPRBYDME-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068832 1097045380 /nfs/dbraw/zinc/04/53/80/1097045380.db2.gz LHKQJXAPRBYDME-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068832 1097045385 /nfs/dbraw/zinc/04/53/85/1097045385.db2.gz LHKQJXAPRBYDME-FUMNGEBKSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001172124971 1097046235 /nfs/dbraw/zinc/04/62/35/1097046235.db2.gz NRUPWKQRKKHPHJ-FVQHAEBGSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001172124971 1097046241 /nfs/dbraw/zinc/04/62/41/1097046241.db2.gz NRUPWKQRKKHPHJ-FVQHAEBGSA-N 2 1 322.493 3.055 20 0 DGADMP CC(C)(CO)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068451 1097046886 /nfs/dbraw/zinc/04/68/86/1097046886.db2.gz QVIOPIJJCPBALO-REPLKXPHSA-N 2 1 316.489 3.180 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)cc1 ZINC001172126992 1097047152 /nfs/dbraw/zinc/04/71/52/1097047152.db2.gz FHYKQVJNMFKDFC-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126992 1097047155 /nfs/dbraw/zinc/04/71/55/1097047155.db2.gz FHYKQVJNMFKDFC-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126992 1097047159 /nfs/dbraw/zinc/04/71/59/1097047159.db2.gz FHYKQVJNMFKDFC-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172126992 1097047164 /nfs/dbraw/zinc/04/71/64/1097047164.db2.gz FHYKQVJNMFKDFC-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172126992 1097047167 /nfs/dbraw/zinc/04/71/67/1097047167.db2.gz FHYKQVJNMFKDFC-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1OC ZINC001172127638 1097047540 /nfs/dbraw/zinc/04/75/40/1097047540.db2.gz KNHZLKZVHUGSJI-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1OC ZINC001172127638 1097047547 /nfs/dbraw/zinc/04/75/47/1097047547.db2.gz KNHZLKZVHUGSJI-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1OC ZINC001172127638 1097047554 /nfs/dbraw/zinc/04/75/54/1097047554.db2.gz KNHZLKZVHUGSJI-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1OC ZINC001172127638 1097047561 /nfs/dbraw/zinc/04/75/61/1097047561.db2.gz KNHZLKZVHUGSJI-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1OC ZINC001172127638 1097047567 /nfs/dbraw/zinc/04/75/67/1097047567.db2.gz KNHZLKZVHUGSJI-BJWYYQGGSA-N 2 1 318.461 3.151 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC001172104222 1097053063 /nfs/dbraw/zinc/05/30/63/1097053063.db2.gz AXVMNNBRGMUVGH-FNLKRUPLSA-N 2 1 313.489 3.260 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC001172104222 1097053067 /nfs/dbraw/zinc/05/30/67/1097053067.db2.gz AXVMNNBRGMUVGH-FNLKRUPLSA-N 2 1 313.489 3.260 20 0 DGADMP CCOc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102875 1097053445 /nfs/dbraw/zinc/05/34/45/1097053445.db2.gz PYJYSISYUREIHD-BCDXTJNWSA-N 2 1 302.462 3.233 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105813 1097054148 /nfs/dbraw/zinc/05/41/48/1097054148.db2.gz KTEWAANSUNXPCX-FJIDUMEYSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105813 1097054154 /nfs/dbraw/zinc/05/41/54/1097054154.db2.gz KTEWAANSUNXPCX-FJIDUMEYSA-N 2 1 322.880 3.368 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001172108456 1097054765 /nfs/dbraw/zinc/05/47/65/1097054765.db2.gz AKRWWVSYQJYKJM-CUSZFKRNSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172108456 1097054768 /nfs/dbraw/zinc/05/47/68/1097054768.db2.gz AKRWWVSYQJYKJM-CUSZFKRNSA-N 2 1 300.446 3.424 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110553 1097057862 /nfs/dbraw/zinc/05/78/62/1097057862.db2.gz OKBRQSHCPQCBSZ-UMPJEAMMSA-N 2 1 322.399 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110553 1097057865 /nfs/dbraw/zinc/05/78/65/1097057865.db2.gz OKBRQSHCPQCBSZ-UMPJEAMMSA-N 2 1 322.399 3.393 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172111558 1097057889 /nfs/dbraw/zinc/05/78/89/1097057889.db2.gz VJQZHUWYTUQXJJ-XEKGUZQTSA-N 2 1 315.461 3.311 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172111558 1097057892 /nfs/dbraw/zinc/05/78/92/1097057892.db2.gz VJQZHUWYTUQXJJ-XEKGUZQTSA-N 2 1 315.461 3.311 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COc3ccc(Cl)cc31)C2 ZINC001172113339 1097058510 /nfs/dbraw/zinc/05/85/10/1097058510.db2.gz GNZLSCVKLAOPAV-AYDFFVQHSA-N 2 1 306.837 3.378 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COc3ccc(Cl)cc31)C2 ZINC001172113339 1097058514 /nfs/dbraw/zinc/05/85/14/1097058514.db2.gz GNZLSCVKLAOPAV-AYDFFVQHSA-N 2 1 306.837 3.378 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206157353 1097061043 /nfs/dbraw/zinc/06/10/43/1097061043.db2.gz YCMAYELUAMDWRL-HUUCEWRRSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1F ZINC001206157353 1097061049 /nfs/dbraw/zinc/06/10/49/1097061049.db2.gz YCMAYELUAMDWRL-HUUCEWRRSA-N 2 1 318.358 3.399 20 0 DGADMP COc1cnccc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172114678 1097061430 /nfs/dbraw/zinc/06/14/30/1097061430.db2.gz SECGAWFPZQTAEQ-RCJHGTSTSA-N 2 1 315.461 3.146 20 0 DGADMP Cc1ccccc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121988 1097063739 /nfs/dbraw/zinc/06/37/39/1097063739.db2.gz OJUOJTCMMCDCIH-RDGPPVDQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121988 1097063746 /nfs/dbraw/zinc/06/37/46/1097063746.db2.gz OJUOJTCMMCDCIH-RDGPPVDQSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121988 1097063751 /nfs/dbraw/zinc/06/37/51/1097063751.db2.gz OJUOJTCMMCDCIH-RDGPPVDQSA-N 2 1 314.473 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H]1COCc1ccccc1)C2 ZINC001172120937 1097064212 /nfs/dbraw/zinc/06/42/12/1097064212.db2.gz AEPGTPACMDVVMS-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H]1COCc1ccccc1)C2 ZINC001172120937 1097064218 /nfs/dbraw/zinc/06/42/18/1097064218.db2.gz AEPGTPACMDVVMS-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H]1COCc1ccccc1)C2 ZINC001172120937 1097064224 /nfs/dbraw/zinc/06/42/24/1097064224.db2.gz AEPGTPACMDVVMS-IYWMVGAKSA-N 2 1 314.473 3.293 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)o1)C2 ZINC001172116983 1097064812 /nfs/dbraw/zinc/06/48/12/1097064812.db2.gz JPQJSSNTELPJFR-ZSBIGDGJSA-N 2 1 313.239 3.147 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001172121513 1097064517 /nfs/dbraw/zinc/06/45/17/1097064517.db2.gz KFBNFSXUXGMXOH-FAJBIJEISA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001172121513 1097064521 /nfs/dbraw/zinc/06/45/21/1097064521.db2.gz KFBNFSXUXGMXOH-FAJBIJEISA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001172121513 1097064528 /nfs/dbraw/zinc/06/45/28/1097064528.db2.gz KFBNFSXUXGMXOH-FAJBIJEISA-N 2 1 300.446 3.155 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)o1)C2 ZINC001172116983 1097064808 /nfs/dbraw/zinc/06/48/08/1097064808.db2.gz JPQJSSNTELPJFR-ZSBIGDGJSA-N 2 1 313.239 3.147 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](OCc3ccccc3)C1)C2 ZINC001172122665 1097065642 /nfs/dbraw/zinc/06/56/42/1097065642.db2.gz RUBJCXTXAXEKIF-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](OCc3ccccc3)C1)C2 ZINC001172122665 1097065646 /nfs/dbraw/zinc/06/56/46/1097065646.db2.gz RUBJCXTXAXEKIF-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](OCc3ccccc3)C1)C2 ZINC001172122665 1097065654 /nfs/dbraw/zinc/06/56/54/1097065654.db2.gz RUBJCXTXAXEKIF-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123591 1097066157 /nfs/dbraw/zinc/06/61/57/1097066157.db2.gz FEUXVYBXXAVANB-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123591 1097066162 /nfs/dbraw/zinc/06/61/62/1097066162.db2.gz FEUXVYBXXAVANB-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123591 1097066167 /nfs/dbraw/zinc/06/61/67/1097066167.db2.gz FEUXVYBXXAVANB-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123591 1097066174 /nfs/dbraw/zinc/06/61/74/1097066174.db2.gz FEUXVYBXXAVANB-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)CC(C)(C)O)C2 ZINC001172123591 1097066177 /nfs/dbraw/zinc/06/61/77/1097066177.db2.gz FEUXVYBXXAVANB-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226279 1097081400 /nfs/dbraw/zinc/08/14/00/1097081400.db2.gz SYZPUJURVSZYMV-PANBIXPWSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226279 1097081402 /nfs/dbraw/zinc/08/14/02/1097081402.db2.gz SYZPUJURVSZYMV-PANBIXPWSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226281 1097081480 /nfs/dbraw/zinc/08/14/80/1097081480.db2.gz SYZPUJURVSZYMV-VNVJMFPYSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226281 1097081485 /nfs/dbraw/zinc/08/14/85/1097081485.db2.gz SYZPUJURVSZYMV-VNVJMFPYSA-N 2 1 314.473 3.197 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C2(c3cccc(C)c3)CCC2)CC1 ZINC001172248934 1097090686 /nfs/dbraw/zinc/09/06/86/1097090686.db2.gz TZJDMCNDIHTPMU-UHFFFAOYSA-N 2 1 316.489 3.465 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001172253583 1097092879 /nfs/dbraw/zinc/09/28/79/1097092879.db2.gz VJNYMFNRSDCTFR-MRXNPFEDSA-N 2 1 320.477 3.189 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001172253583 1097092884 /nfs/dbraw/zinc/09/28/84/1097092884.db2.gz VJNYMFNRSDCTFR-MRXNPFEDSA-N 2 1 320.477 3.189 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)CCc2cccc(Cl)c2)CC1 ZINC001172256409 1097094278 /nfs/dbraw/zinc/09/42/78/1097094278.db2.gz VOBNDFYVXQIBCQ-UHFFFAOYSA-N 2 1 324.896 3.315 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC001172256409 1097094284 /nfs/dbraw/zinc/09/42/84/1097094284.db2.gz VOBNDFYVXQIBCQ-UHFFFAOYSA-N 2 1 324.896 3.315 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172372241 1097110682 /nfs/dbraw/zinc/11/06/82/1097110682.db2.gz DFKQMFLJHVGFSN-DKKFBQAASA-N 2 1 308.510 3.386 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CC[C@@H](C)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001172373075 1097110763 /nfs/dbraw/zinc/11/07/63/1097110763.db2.gz KPNHMRXAXHZEIR-OWCLPIDISA-N 2 1 318.509 3.366 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC001172359617 1097125218 /nfs/dbraw/zinc/12/52/18/1097125218.db2.gz KVNGZMSXLAFVRE-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172429750 1097139262 /nfs/dbraw/zinc/13/92/62/1097139262.db2.gz CNRWEBLHJQFBKE-QGZVFWFLSA-N 2 1 316.489 3.324 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172429750 1097139265 /nfs/dbraw/zinc/13/92/65/1097139265.db2.gz CNRWEBLHJQFBKE-QGZVFWFLSA-N 2 1 316.489 3.324 20 0 DGADMP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172433130 1097140192 /nfs/dbraw/zinc/14/01/92/1097140192.db2.gz GMXACRZDPLAFJL-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](CC(C)C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172389962 1097142929 /nfs/dbraw/zinc/14/29/29/1097142929.db2.gz REMBVPPHXUCLMP-HXUWFJFHSA-N 2 1 317.521 3.348 20 0 DGADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001172401280 1097145788 /nfs/dbraw/zinc/14/57/88/1097145788.db2.gz LOPGNHWXBNNOEI-HSALFYBXSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001172401280 1097145793 /nfs/dbraw/zinc/14/57/93/1097145793.db2.gz LOPGNHWXBNNOEI-HSALFYBXSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001172401280 1097145795 /nfs/dbraw/zinc/14/57/95/1097145795.db2.gz LOPGNHWXBNNOEI-HSALFYBXSA-N 2 1 322.537 3.491 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228594553 1097149224 /nfs/dbraw/zinc/14/92/24/1097149224.db2.gz MSSATKTXVDASMV-RCCFBDPRSA-N 2 1 323.525 3.068 20 0 DGADMP Cc1cccc(N([C@H](C)CCOCC(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172477587 1097149869 /nfs/dbraw/zinc/14/98/69/1097149869.db2.gz BNKWPMFUJPPHCG-QGZVFWFLSA-N 2 1 319.493 3.400 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172437993 1097154175 /nfs/dbraw/zinc/15/41/75/1097154175.db2.gz YJUNOMFPQFDILO-WDSOQIARSA-N 2 1 319.493 3.357 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172444122 1097156341 /nfs/dbraw/zinc/15/63/41/1097156341.db2.gz IQROZIDCSDHYIM-BHIYHBOVSA-N 2 1 319.493 3.357 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)CCOC(C)C)CC1 ZINC001172451777 1097158764 /nfs/dbraw/zinc/15/87/64/1097158764.db2.gz NDNBUUCQEMVRQK-HNNXBMFYSA-N 2 1 305.466 3.132 20 0 DGADMP CC1(C)CC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC(C)(C)O1 ZINC001172655013 1097203333 /nfs/dbraw/zinc/20/33/33/1097203333.db2.gz NWVQJAKNQPXDHF-MRXNPFEDSA-N 2 1 302.462 3.108 20 0 DGADMP CC1(C)CC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC(C)(C)O1 ZINC001172655013 1097203338 /nfs/dbraw/zinc/20/33/38/1097203338.db2.gz NWVQJAKNQPXDHF-MRXNPFEDSA-N 2 1 302.462 3.108 20 0 DGADMP NCC[N@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708058 1097227360 /nfs/dbraw/zinc/22/73/60/1097227360.db2.gz AOGXCNGJGVFXGV-GOSISDBHSA-N 2 1 300.833 3.268 20 0 DGADMP NCC[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708058 1097227364 /nfs/dbraw/zinc/22/73/64/1097227364.db2.gz AOGXCNGJGVFXGV-GOSISDBHSA-N 2 1 300.833 3.268 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708058 1097227368 /nfs/dbraw/zinc/22/73/68/1097227368.db2.gz AOGXCNGJGVFXGV-GOSISDBHSA-N 2 1 300.833 3.268 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708058 1097227369 /nfs/dbraw/zinc/22/73/69/1097227369.db2.gz AOGXCNGJGVFXGV-GOSISDBHSA-N 2 1 300.833 3.268 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001172928857 1097284111 /nfs/dbraw/zinc/28/41/11/1097284111.db2.gz MLXDTDFPQSKBEM-HUUCEWRRSA-N 2 1 306.425 3.033 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206185545 1097307858 /nfs/dbraw/zinc/30/78/58/1097307858.db2.gz OGMDFLNLLZQYIC-KBPBESRZSA-N 2 1 304.331 3.275 20 0 DGADMP c1cn2c([nH+]1)CC[C@H](Oc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001229449120 1097323739 /nfs/dbraw/zinc/32/37/39/1097323739.db2.gz XUBXYFACQLBPGL-SFHVURJKSA-N 2 1 311.429 3.263 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001173106749 1097331014 /nfs/dbraw/zinc/33/10/14/1097331014.db2.gz CKGQRLZPPMVNTR-UHFFFAOYSA-N 2 1 309.542 3.349 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001173107483 1097331639 /nfs/dbraw/zinc/33/16/39/1097331639.db2.gz UAHDCECTWBWUJE-GPJFCIFZSA-N 3 1 321.553 3.494 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001173107483 1097331643 /nfs/dbraw/zinc/33/16/43/1097331643.db2.gz UAHDCECTWBWUJE-GPJFCIFZSA-N 3 1 321.553 3.494 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001173108055 1097331993 /nfs/dbraw/zinc/33/19/93/1097331993.db2.gz CUIUUVLYZMHNHR-RGVPCPSESA-N 3 1 309.542 3.348 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CCN(C(C)C)C[C@@H]2C)CC1 ZINC001173108055 1097331999 /nfs/dbraw/zinc/33/19/99/1097331999.db2.gz CUIUUVLYZMHNHR-RGVPCPSESA-N 2 1 309.542 3.348 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ncsc3C2)CC1 ZINC001173140062 1097342995 /nfs/dbraw/zinc/34/29/95/1097342995.db2.gz VWRTYWJERURYBJ-HNNXBMFYSA-N 2 1 307.507 3.053 20 0 DGADMP Cc1[nH+]c2ccccn2c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212710556 1097346289 /nfs/dbraw/zinc/34/62/89/1097346289.db2.gz IHUTXDVOZDCARQ-UHFFFAOYSA-N 2 1 321.428 3.138 20 0 DGADMP C[C@@H](c1cccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1)[NH+](C)C ZINC001229621633 1097354354 /nfs/dbraw/zinc/35/43/54/1097354354.db2.gz HYYXIQKQUSJVKK-RMRDIRSESA-N 2 1 302.462 3.418 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171096 1097365805 /nfs/dbraw/zinc/36/58/05/1097365805.db2.gz GEBQWZMIYAXPTI-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171096 1097365812 /nfs/dbraw/zinc/36/58/12/1097365812.db2.gz GEBQWZMIYAXPTI-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(CC)cc3)C[C@@H]2C1 ZINC001173245037 1097383773 /nfs/dbraw/zinc/38/37/73/1097383773.db2.gz GFWRRMRIGODQQK-AHRSYUTCSA-N 2 1 300.490 3.454 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001173265214 1097388989 /nfs/dbraw/zinc/38/89/89/1097388989.db2.gz QWYPLJNDOYFLPM-APWZRJJASA-N 2 1 302.462 3.187 20 0 DGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229852108 1097399663 /nfs/dbraw/zinc/39/96/63/1097399663.db2.gz FEMAUFBGRPVJCU-XXCOWLKOSA-N 2 1 323.525 3.092 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001173349334 1097424697 /nfs/dbraw/zinc/42/46/97/1097424697.db2.gz GCMSWGSDPPZPRY-XUVXKRRUSA-N 2 1 309.457 3.112 20 0 DGADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3cc(Br)ccc32)C1 ZINC001173354007 1097430744 /nfs/dbraw/zinc/43/07/44/1097430744.db2.gz UYLIERWRSYBORB-ZDUSSCGKSA-N 2 1 322.250 3.129 20 0 DGADMP CCN1CC[C@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173356872 1097431626 /nfs/dbraw/zinc/43/16/26/1097431626.db2.gz GYIKKCMLQBLBAB-UFYCRDLUSA-N 2 1 315.505 3.161 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001173440065 1097439211 /nfs/dbraw/zinc/43/92/11/1097439211.db2.gz CSQGHAGCADDNFR-IAGOWNOFSA-N 2 1 320.477 3.205 20 0 DGADMP CC(C)[N@@H+](C1Cc2cc(F)c(F)cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173476488 1097444595 /nfs/dbraw/zinc/44/45/95/1097444595.db2.gz XSPNYGZFVPUBSZ-SHTZXODSSA-N 2 1 308.416 3.412 20 0 DGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284524 1097469045 /nfs/dbraw/zinc/46/90/45/1097469045.db2.gz JNZKUFKUAKWUCV-BTFXCVNISA-N 2 1 323.525 3.090 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230517946 1097501200 /nfs/dbraw/zinc/50/12/00/1097501200.db2.gz IMPKQHBAQIKXKP-UGSOOPFHSA-N 2 1 322.412 3.044 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230517946 1097501207 /nfs/dbraw/zinc/50/12/07/1097501207.db2.gz IMPKQHBAQIKXKP-UGSOOPFHSA-N 2 1 322.412 3.044 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230517946 1097501213 /nfs/dbraw/zinc/50/12/13/1097501213.db2.gz IMPKQHBAQIKXKP-UGSOOPFHSA-N 2 1 322.412 3.044 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3cccnc23)CC1 ZINC001231489639 1097761625 /nfs/dbraw/zinc/76/16/25/1097761625.db2.gz IFBMKFVQCSBCNV-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CCc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001231641682 1097797935 /nfs/dbraw/zinc/79/79/35/1097797935.db2.gz IAMCRHNFTYRUSO-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001231641682 1097797937 /nfs/dbraw/zinc/79/79/37/1097797937.db2.gz IAMCRHNFTYRUSO-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP CCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)nc1 ZINC001231641682 1097797939 /nfs/dbraw/zinc/79/79/39/1097797939.db2.gz IAMCRHNFTYRUSO-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP CCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)nc1 ZINC001231641682 1097797941 /nfs/dbraw/zinc/79/79/41/1097797941.db2.gz IAMCRHNFTYRUSO-OALUTQOASA-N 2 1 301.478 3.483 20 0 DGADMP CCc1ccc(C[N@H+]2CCCN(c3cccc(C)n3)CC2)nc1 ZINC001231642459 1097799320 /nfs/dbraw/zinc/79/93/20/1097799320.db2.gz YPPYOEMLKVJGQG-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CCc1ccc(CN2CCCN(c3cccc(C)n3)CC2)nc1 ZINC001231642459 1097799324 /nfs/dbraw/zinc/79/93/24/1097799324.db2.gz YPPYOEMLKVJGQG-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001231676320 1097814647 /nfs/dbraw/zinc/81/46/47/1097814647.db2.gz FCEXZKZKZHDPPM-UHFFFAOYSA-N 2 1 317.477 3.325 20 0 DGADMP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001231676320 1097814653 /nfs/dbraw/zinc/81/46/53/1097814653.db2.gz FCEXZKZKZHDPPM-UHFFFAOYSA-N 2 1 317.477 3.325 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805100 1097849823 /nfs/dbraw/zinc/84/98/23/1097849823.db2.gz KSRLQCKEPKOWPA-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805100 1097849833 /nfs/dbraw/zinc/84/98/33/1097849833.db2.gz KSRLQCKEPKOWPA-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805100 1097849841 /nfs/dbraw/zinc/84/98/41/1097849841.db2.gz KSRLQCKEPKOWPA-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001231805100 1097849850 /nfs/dbraw/zinc/84/98/50/1097849850.db2.gz KSRLQCKEPKOWPA-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001277574697 1097858277 /nfs/dbraw/zinc/85/82/77/1097858277.db2.gz IKZLVMVZBPUOEZ-UHFFFAOYSA-N 2 1 312.816 3.102 20 0 DGADMP C[N@@H+]1CCC2(C1)CCN(Cc1cc(Cl)c([O-])cc1F)CC2 ZINC001277574697 1097858286 /nfs/dbraw/zinc/85/82/86/1097858286.db2.gz IKZLVMVZBPUOEZ-UHFFFAOYSA-N 2 1 312.816 3.102 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2OCCO3)CC1 ZINC001231885302 1097879605 /nfs/dbraw/zinc/87/96/05/1097879605.db2.gz HPIGMZNHNBGYFQ-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894168 1097882263 /nfs/dbraw/zinc/88/22/63/1097882263.db2.gz ROLZYEXCINGNBW-AWEZNQCLSA-N 2 1 319.355 3.376 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894168 1097882270 /nfs/dbraw/zinc/88/22/70/1097882270.db2.gz ROLZYEXCINGNBW-AWEZNQCLSA-N 2 1 319.355 3.376 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979022 1097906318 /nfs/dbraw/zinc/90/63/18/1097906318.db2.gz OPAQINCFMDXNTQ-GOSISDBHSA-N 2 1 315.848 3.416 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232149022 1097951208 /nfs/dbraw/zinc/95/12/08/1097951208.db2.gz IQXYFCKYOVKSRL-JWTNVVGKSA-N 2 1 306.425 3.029 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277624630 1097958295 /nfs/dbraw/zinc/95/82/95/1097958295.db2.gz FOKHWTARJYIPQB-CMKODMSKSA-N 2 1 321.553 3.303 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccnc(C(C)(C)C)c3)C2)CC1 ZINC001232217160 1097969993 /nfs/dbraw/zinc/96/99/93/1097969993.db2.gz FFGQABZOPHQZBN-UHFFFAOYSA-N 2 1 301.478 3.297 20 0 DGADMP FC(F)C[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277644607 1097997747 /nfs/dbraw/zinc/99/77/47/1097997747.db2.gz KQPMRVZWLLQQKR-UHFFFAOYSA-N 2 1 314.342 3.382 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175349263 1098019150 /nfs/dbraw/zinc/01/91/50/1098019150.db2.gz DTDKAZGCSPWZIQ-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175349263 1098019157 /nfs/dbraw/zinc/01/91/57/1098019157.db2.gz DTDKAZGCSPWZIQ-IBGZPJMESA-N 2 1 301.478 3.476 20 0 DGADMP COc1ccc(OC(C)C)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001232388205 1098021019 /nfs/dbraw/zinc/02/10/19/1098021019.db2.gz BICJPJDHVBLYDH-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1OC(C)C ZINC001232393771 1098026254 /nfs/dbraw/zinc/02/62/54/1098026254.db2.gz SOPPILXSEBAQHC-AEFFLSMTSA-N 2 1 302.462 3.166 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)ccc3OC(C)C)C[C@H]2C1 ZINC001232399659 1098029094 /nfs/dbraw/zinc/02/90/94/1098029094.db2.gz XLHAADVMWJJINE-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564508 1098099317 /nfs/dbraw/zinc/09/93/17/1098099317.db2.gz BZEKUGHGKRZSKD-INIZCTEOSA-N 2 1 322.497 3.071 20 0 DGADMP c1cc2c(cn1)cncc2C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232651033 1098107660 /nfs/dbraw/zinc/10/76/60/1098107660.db2.gz LHERBDUYGOOBKV-LJQANCHMSA-N 2 1 324.472 3.470 20 0 DGADMP c1cc2c(cn1)cncc2C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232651033 1098107663 /nfs/dbraw/zinc/10/76/63/1098107663.db2.gz LHERBDUYGOOBKV-LJQANCHMSA-N 2 1 324.472 3.470 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902347 1098169309 /nfs/dbraw/zinc/16/93/09/1098169309.db2.gz BKAJGTKBJJLNMG-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902347 1098169311 /nfs/dbraw/zinc/16/93/11/1098169311.db2.gz BKAJGTKBJJLNMG-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902347 1098169313 /nfs/dbraw/zinc/16/93/13/1098169313.db2.gz BKAJGTKBJJLNMG-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232902347 1098169315 /nfs/dbraw/zinc/16/93/15/1098169315.db2.gz BKAJGTKBJJLNMG-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cnc(OC)c2ccccc12 ZINC001232951167 1098182003 /nfs/dbraw/zinc/18/20/03/1098182003.db2.gz YDAJZXLFIMKMSM-UHFFFAOYSA-N 2 1 301.434 3.017 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(OC)c2ccccc12 ZINC001232951167 1098182006 /nfs/dbraw/zinc/18/20/06/1098182006.db2.gz YDAJZXLFIMKMSM-UHFFFAOYSA-N 2 1 301.434 3.017 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1c[nH+]cn1C ZINC001277765381 1098232646 /nfs/dbraw/zinc/23/26/46/1098232646.db2.gz GIIBBMVBXNEMMJ-ZACQAIPSSA-N 2 1 304.482 3.290 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c1)CCO2 ZINC001233276642 1098271590 /nfs/dbraw/zinc/27/15/90/1098271590.db2.gz UCFSHOSMEADFBY-SFHVURJKSA-N 2 1 314.473 3.462 20 0 DGADMP CC[NH+](CC)c1ccc(Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC001176446353 1098351255 /nfs/dbraw/zinc/35/12/55/1098351255.db2.gz UBWQYSZPYCEJMM-UHFFFAOYSA-N 2 1 301.438 3.035 20 0 DGADMP C[N@@H+]1C[C@]23C[NH+](CC[C@@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008864 1098462793 /nfs/dbraw/zinc/46/27/93/1098462793.db2.gz PZGHSRXZDWSUNL-KFWWJZLASA-N 2 1 317.304 3.378 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CC[C@@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008864 1098462797 /nfs/dbraw/zinc/46/27/97/1098462797.db2.gz PZGHSRXZDWSUNL-KFWWJZLASA-N 2 1 317.304 3.378 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CC[C@@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008864 1098462799 /nfs/dbraw/zinc/46/27/99/1098462799.db2.gz PZGHSRXZDWSUNL-KFWWJZLASA-N 2 1 317.304 3.378 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CC[C@@H]4CC4(Cl)Cl)C[C@@]2(C1)CCCC3 ZINC001177008864 1098462802 /nfs/dbraw/zinc/46/28/02/1098462802.db2.gz PZGHSRXZDWSUNL-KFWWJZLASA-N 2 1 317.304 3.378 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cncc2Cl)CC1 ZINC001206303017 1098528010 /nfs/dbraw/zinc/52/80/10/1098528010.db2.gz AGXYTLLEQBOFRS-AWEZNQCLSA-N 2 1 302.249 3.339 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991349 1098735727 /nfs/dbraw/zinc/73/57/27/1098735727.db2.gz FFYPRLVCCPMAFV-SFHVURJKSA-N 2 1 313.470 3.386 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991349 1098735736 /nfs/dbraw/zinc/73/57/36/1098735736.db2.gz FFYPRLVCCPMAFV-SFHVURJKSA-N 2 1 313.470 3.386 20 0 DGADMP Clc1ccc2c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c[nH]c2c1 ZINC001234993050 1098737782 /nfs/dbraw/zinc/73/77/82/1098737782.db2.gz ONPJQGVWLBIQKW-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC001234993066 1098739659 /nfs/dbraw/zinc/73/96/59/1098739659.db2.gz OTOGSRIRLCAPQO-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234997668 1098740362 /nfs/dbraw/zinc/74/03/62/1098740362.db2.gz DHXVFPFBFRZUOM-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234997668 1098740370 /nfs/dbraw/zinc/74/03/70/1098740370.db2.gz DHXVFPFBFRZUOM-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CCc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(CC)c1O ZINC001235000209 1098742875 /nfs/dbraw/zinc/74/28/75/1098742875.db2.gz PMEKUPIIGPFXAK-IBGZPJMESA-N 2 1 302.462 3.093 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(CC)c1O ZINC001235000209 1098742885 /nfs/dbraw/zinc/74/28/85/1098742885.db2.gz PMEKUPIIGPFXAK-IBGZPJMESA-N 2 1 302.462 3.093 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235003308 1098744901 /nfs/dbraw/zinc/74/49/01/1098744901.db2.gz ZUAKASPZUXJFLX-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008151 1098748769 /nfs/dbraw/zinc/74/87/69/1098748769.db2.gz RFCFPOVFLYMODQ-HXUWFJFHSA-N 2 1 316.489 3.186 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008151 1098748774 /nfs/dbraw/zinc/74/87/74/1098748774.db2.gz RFCFPOVFLYMODQ-HXUWFJFHSA-N 2 1 316.489 3.186 20 0 DGADMP CC(C)Cc1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020484 1098754591 /nfs/dbraw/zinc/75/45/91/1098754591.db2.gz DHBFENWCDKWSQT-FQEVSTJZSA-N 2 1 316.489 3.087 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020484 1098754602 /nfs/dbraw/zinc/75/46/02/1098754602.db2.gz DHBFENWCDKWSQT-FQEVSTJZSA-N 2 1 316.489 3.087 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CC1 ZINC001235020811 1098755245 /nfs/dbraw/zinc/75/52/45/1098755245.db2.gz RVGPXTWVVMBITN-UHFFFAOYSA-N 2 1 306.207 3.229 20 0 DGADMP c1cc(C2CCC2)ccc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235022169 1098755440 /nfs/dbraw/zinc/75/54/40/1098755440.db2.gz LFUVYMWBFXGYFS-FQEVSTJZSA-N 2 1 314.473 3.156 20 0 DGADMP c1cc(C2CCC2)ccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235022169 1098755447 /nfs/dbraw/zinc/75/54/47/1098755447.db2.gz LFUVYMWBFXGYFS-FQEVSTJZSA-N 2 1 314.473 3.156 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025246 1098756924 /nfs/dbraw/zinc/75/69/24/1098756924.db2.gz YRSWJFIDZAKSCG-UHFFFAOYSA-N 2 1 308.425 3.061 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025246 1098756931 /nfs/dbraw/zinc/75/69/31/1098756931.db2.gz YRSWJFIDZAKSCG-UHFFFAOYSA-N 2 1 308.425 3.061 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001235033531 1098761525 /nfs/dbraw/zinc/76/15/25/1098761525.db2.gz PVEOZWYBRNAIOD-HXUWFJFHSA-N 2 1 309.457 3.091 20 0 DGADMP c1ccc(CCc2ccccc2C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235032445 1098761878 /nfs/dbraw/zinc/76/18/78/1098761878.db2.gz PQSNTFOHBPRCPC-LEWJYISDSA-N 2 1 306.453 3.266 20 0 DGADMP c1ccc(CCc2ccccc2C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235032445 1098761889 /nfs/dbraw/zinc/76/18/89/1098761889.db2.gz PQSNTFOHBPRCPC-LEWJYISDSA-N 2 1 306.453 3.266 20 0 DGADMP Cc1sc2ccccc2c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035129 1098764956 /nfs/dbraw/zinc/76/49/56/1098764956.db2.gz BGJWUISFHHGIBB-RHSMWYFYSA-N 2 1 316.470 3.020 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)c1cccc2ccccc21 ZINC001235035551 1098765116 /nfs/dbraw/zinc/76/51/16/1098765116.db2.gz FMAKEUIBZITADK-HGHGUNKESA-N 2 1 324.468 3.254 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235041223 1098770027 /nfs/dbraw/zinc/77/00/27/1098770027.db2.gz OJRQZUJKZPJOIL-CRAIPNDOSA-N 2 1 322.880 3.274 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045136 1098771284 /nfs/dbraw/zinc/77/12/84/1098771284.db2.gz ZLLLVHSMRKRKBD-IBGZPJMESA-N 2 1 313.420 3.348 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045136 1098771290 /nfs/dbraw/zinc/77/12/90/1098771290.db2.gz ZLLLVHSMRKRKBD-IBGZPJMESA-N 2 1 313.420 3.348 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045136 1098771299 /nfs/dbraw/zinc/77/12/99/1098771299.db2.gz ZLLLVHSMRKRKBD-IBGZPJMESA-N 2 1 313.420 3.348 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045136 1098771308 /nfs/dbraw/zinc/77/13/08/1098771308.db2.gz ZLLLVHSMRKRKBD-IBGZPJMESA-N 2 1 313.420 3.348 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C[C@@H]2C1 ZINC001235046706 1098774437 /nfs/dbraw/zinc/77/44/37/1098774437.db2.gz IYGJTIZCXIBIBF-IYBDPMFKSA-N 2 1 313.420 3.204 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C[C@@H]2C1 ZINC001235046706 1098774444 /nfs/dbraw/zinc/77/44/44/1098774444.db2.gz IYGJTIZCXIBIBF-IYBDPMFKSA-N 2 1 313.420 3.204 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4F)c3)C[C@@H]2C1 ZINC001235046706 1098774447 /nfs/dbraw/zinc/77/44/47/1098774447.db2.gz IYGJTIZCXIBIBF-IYBDPMFKSA-N 2 1 313.420 3.204 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4F)c3)C[C@@H]2C1 ZINC001235046706 1098774452 /nfs/dbraw/zinc/77/44/52/1098774452.db2.gz IYGJTIZCXIBIBF-IYBDPMFKSA-N 2 1 313.420 3.204 20 0 DGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235090076 1098792891 /nfs/dbraw/zinc/79/28/91/1098792891.db2.gz ABJNHZMNGADYQX-KRWDZBQOSA-N 2 1 308.416 3.378 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(N2CCCC2)c1 ZINC001235092754 1098795960 /nfs/dbraw/zinc/79/59/60/1098795960.db2.gz NVAVFGPXKPVTET-UHFFFAOYSA-N 2 1 301.478 3.205 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(N2CCCC2)c1 ZINC001235092754 1098795966 /nfs/dbraw/zinc/79/59/66/1098795966.db2.gz NVAVFGPXKPVTET-UHFFFAOYSA-N 2 1 301.478 3.205 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CCC34CC[NH2+]CC4)ccc2O1 ZINC001235103705 1098802677 /nfs/dbraw/zinc/80/26/77/1098802677.db2.gz WLXJITMYXVPBGP-UHFFFAOYSA-N 2 1 300.446 3.118 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC34CC[NH2+]CC4)ccc2O1 ZINC001235103705 1098802692 /nfs/dbraw/zinc/80/26/92/1098802692.db2.gz WLXJITMYXVPBGP-UHFFFAOYSA-N 2 1 300.446 3.118 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001235110662 1098810937 /nfs/dbraw/zinc/81/09/37/1098810937.db2.gz LFYKEZPBYWMLCQ-UYAOXDASSA-N 2 1 320.521 3.482 20 0 DGADMP Brc1cccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235109984 1098811395 /nfs/dbraw/zinc/81/13/95/1098811395.db2.gz FYMRKQSNPXGYQI-MRXNPFEDSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1cccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235109984 1098811406 /nfs/dbraw/zinc/81/14/06/1098811406.db2.gz FYMRKQSNPXGYQI-MRXNPFEDSA-N 2 1 323.278 3.210 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235140696 1098832719 /nfs/dbraw/zinc/83/27/19/1098832719.db2.gz KJFDWYZNJKTCHZ-UHFFFAOYSA-N 2 1 324.509 3.498 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1CC ZINC001235141911 1098832853 /nfs/dbraw/zinc/83/28/53/1098832853.db2.gz ZWTKYOXOGDWJIH-UHFFFAOYSA-N 2 1 302.462 3.366 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235152177 1098837029 /nfs/dbraw/zinc/83/70/29/1098837029.db2.gz DHUACOSARIUDBT-GOSISDBHSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cccc(OC)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152578 1098837824 /nfs/dbraw/zinc/83/78/24/1098837824.db2.gz HEORDNKZGXCFSD-KRWDZBQOSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235153056 1098840554 /nfs/dbraw/zinc/84/05/54/1098840554.db2.gz DCHRGGXBSDJLJJ-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP [O-]c1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155086 1098841767 /nfs/dbraw/zinc/84/17/67/1098841767.db2.gz CJCQOHWMLLHWDM-HNNXBMFYSA-N 2 1 308.853 3.400 20 0 DGADMP Oc1cccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155086 1098841779 /nfs/dbraw/zinc/84/17/79/1098841779.db2.gz CJCQOHWMLLHWDM-HNNXBMFYSA-N 2 1 308.853 3.400 20 0 DGADMP Oc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1Cl ZINC001235155086 1098841790 /nfs/dbraw/zinc/84/17/90/1098841790.db2.gz CJCQOHWMLLHWDM-HNNXBMFYSA-N 2 1 308.853 3.400 20 0 DGADMP COc1cccc(CCC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235156040 1098841942 /nfs/dbraw/zinc/84/19/42/1098841942.db2.gz ZOWQLZSMOUBCDF-FQEVSTJZSA-N 2 1 316.489 3.482 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156466 1098842001 /nfs/dbraw/zinc/84/20/01/1098842001.db2.gz QBDBOMHIUKPWFW-LJQANCHMSA-N 2 1 324.472 3.431 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156466 1098842009 /nfs/dbraw/zinc/84/20/09/1098842009.db2.gz QBDBOMHIUKPWFW-LJQANCHMSA-N 2 1 324.472 3.431 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156466 1098842024 /nfs/dbraw/zinc/84/20/24/1098842024.db2.gz QBDBOMHIUKPWFW-LJQANCHMSA-N 2 1 324.472 3.431 20 0 DGADMP COc1nccc(Cl)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154702 1098842234 /nfs/dbraw/zinc/84/22/34/1098842234.db2.gz KLTOQPCVHSNGQQ-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(C)n1 ZINC001235159836 1098843791 /nfs/dbraw/zinc/84/37/91/1098843791.db2.gz PKTXGRBZXPEMEN-GOSISDBHSA-N 2 1 317.477 3.143 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001235157856 1098844377 /nfs/dbraw/zinc/84/43/77/1098844377.db2.gz SHMFGVMCYVBNAO-MRXNPFEDSA-N 2 1 307.869 3.398 20 0 DGADMP COc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235161590 1098846266 /nfs/dbraw/zinc/84/62/66/1098846266.db2.gz TWVSOWZSFQSTKT-QGZVFWFLSA-N 2 1 306.425 3.188 20 0 DGADMP c1cn(-c2cccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2)cn1 ZINC001235160589 1098847730 /nfs/dbraw/zinc/84/77/30/1098847730.db2.gz PUIATJXKDFCOOT-FQEVSTJZSA-N 2 1 324.472 3.226 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191039 1098866862 /nfs/dbraw/zinc/86/68/62/1098866862.db2.gz OCLNTJBWMKXRRC-UHFFFAOYSA-N 2 1 302.462 3.236 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235190680 1098867094 /nfs/dbraw/zinc/86/70/94/1098867094.db2.gz HOQJENCWZCZMRP-UHFFFAOYSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235190680 1098867098 /nfs/dbraw/zinc/86/70/98/1098867098.db2.gz HOQJENCWZCZMRP-UHFFFAOYSA-N 2 1 306.425 3.333 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c(C)c1 ZINC001235223395 1098896018 /nfs/dbraw/zinc/89/60/18/1098896018.db2.gz DWIWOBRUMPFXKV-HOCLYGCPSA-N 2 1 312.379 3.196 20 0 DGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c(C)c1 ZINC001235223395 1098896026 /nfs/dbraw/zinc/89/60/26/1098896026.db2.gz DWIWOBRUMPFXKV-HOCLYGCPSA-N 2 1 312.379 3.196 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235227329 1098901007 /nfs/dbraw/zinc/90/10/07/1098901007.db2.gz HTMJPEKCEAWHGD-QGZVFWFLSA-N 2 1 312.379 3.458 20 0 DGADMP Fc1cnc(Cl)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235229503 1098904073 /nfs/dbraw/zinc/90/40/73/1098904073.db2.gz PYEKCLJTNONECQ-OAHLLOKOSA-N 2 1 311.832 3.228 20 0 DGADMP Fc1cnc(Cl)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235229493 1098904546 /nfs/dbraw/zinc/90/45/46/1098904546.db2.gz PVGICTXPWDYGDG-OAHLLOKOSA-N 2 1 311.832 3.228 20 0 DGADMP COc1cnc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Cl)c1 ZINC001235236591 1098909313 /nfs/dbraw/zinc/90/93/13/1098909313.db2.gz FMNGEOILYHAHDK-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)ccc2c1 ZINC001235244423 1098917559 /nfs/dbraw/zinc/91/75/59/1098917559.db2.gz AFJSMKXTAFDOFJ-UYAOXDASSA-N 2 1 309.457 3.219 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)ccc2c1 ZINC001235244423 1098917567 /nfs/dbraw/zinc/91/75/67/1098917567.db2.gz AFJSMKXTAFDOFJ-UYAOXDASSA-N 2 1 309.457 3.219 20 0 DGADMP Brc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235253668 1098924579 /nfs/dbraw/zinc/92/45/79/1098924579.db2.gz CQSBWMXCXUQKQQ-ZBFHGGJFSA-N 2 1 323.278 3.066 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235261524 1098932594 /nfs/dbraw/zinc/93/25/94/1098932594.db2.gz ITGVPNGTEBDFPT-QFBILLFUSA-N 2 1 302.462 3.274 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811349 1098939131 /nfs/dbraw/zinc/93/91/31/1098939131.db2.gz SEAAUAARFDXSDO-QZTJIDSGSA-N 2 1 323.525 3.070 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC001235273290 1098939717 /nfs/dbraw/zinc/93/97/17/1098939717.db2.gz RFLGCCPQEBNVAE-AZUAARDMSA-N 2 1 309.457 3.090 20 0 DGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853442 1098953041 /nfs/dbraw/zinc/95/30/41/1098953041.db2.gz JWNDSOYMGPPARH-INIZCTEOSA-N 2 1 313.530 3.029 20 0 DGADMP Fc1ccc(F)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1Cl ZINC001235336381 1098960094 /nfs/dbraw/zinc/96/00/94/1098960094.db2.gz XAAARHCFGWMVLB-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP FC(F)(F)c1ccc(Cl)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235338781 1098962445 /nfs/dbraw/zinc/96/24/45/1098962445.db2.gz CJKRNKONEVZMSR-SNVBAGLBSA-N 2 1 318.770 3.400 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1O ZINC001235351937 1098972205 /nfs/dbraw/zinc/97/22/05/1098972205.db2.gz ZDIOGJLETXVDOP-TZIWHRDSSA-N 2 1 322.452 3.280 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235367295 1098983111 /nfs/dbraw/zinc/98/31/11/1098983111.db2.gz HGHZMFYKTFSUCA-NCXUSEDFSA-N 2 1 306.494 3.212 20 0 DGADMP CS[C@H](C)CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368380 1098983408 /nfs/dbraw/zinc/98/34/08/1098983408.db2.gz WBYFUNFEPHAWHD-NEWSRXKRSA-N 2 1 318.530 3.381 20 0 DGADMP Cc1cc(O)cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235376717 1098985675 /nfs/dbraw/zinc/98/56/75/1098985675.db2.gz IPKZYRLYVJUTRH-RTWAWAEBSA-N 2 1 322.452 3.280 20 0 DGADMP Cc1cc(O)cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235376717 1098985684 /nfs/dbraw/zinc/98/56/84/1098985684.db2.gz IPKZYRLYVJUTRH-RTWAWAEBSA-N 2 1 322.452 3.280 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235398066 1098993288 /nfs/dbraw/zinc/99/32/88/1098993288.db2.gz SRNWMMSHGUFQSZ-ZWKOTPCHSA-N 2 1 304.453 3.394 20 0 DGADMP CC(C)(CC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F)c1ccccc1 ZINC001235399327 1098995543 /nfs/dbraw/zinc/99/55/43/1098995543.db2.gz ALVZXZLNNCVBIN-HKUYNNGSSA-N 2 1 304.453 3.378 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399318 1098995894 /nfs/dbraw/zinc/99/58/94/1098995894.db2.gz AISVKFAAPKSFGQ-LSDHHAIUSA-N 2 1 316.342 3.229 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399318 1098995905 /nfs/dbraw/zinc/99/59/05/1098995905.db2.gz AISVKFAAPKSFGQ-LSDHHAIUSA-N 2 1 316.342 3.229 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400654 1098996540 /nfs/dbraw/zinc/99/65/40/1098996540.db2.gz FDFMSJXBRMBYHW-IAGOWNOFSA-N 2 1 304.434 3.425 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400654 1098996544 /nfs/dbraw/zinc/99/65/44/1098996544.db2.gz FDFMSJXBRMBYHW-IAGOWNOFSA-N 2 1 304.434 3.425 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001235401599 1098997762 /nfs/dbraw/zinc/99/77/62/1098997762.db2.gz HJJNWZCKHOOQOD-MOPGFXCFSA-N 2 1 313.420 3.001 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400874 1098997816 /nfs/dbraw/zinc/99/78/16/1098997816.db2.gz LXMKMQIAZVHZLW-RBUKOAKNSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400874 1098997824 /nfs/dbraw/zinc/99/78/24/1098997824.db2.gz LXMKMQIAZVHZLW-RBUKOAKNSA-N 2 1 320.452 3.306 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400653 1098997932 /nfs/dbraw/zinc/99/79/32/1098997932.db2.gz FDFMSJXBRMBYHW-DLBZAZTESA-N 2 1 304.434 3.425 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400653 1098997939 /nfs/dbraw/zinc/99/79/39/1098997939.db2.gz FDFMSJXBRMBYHW-DLBZAZTESA-N 2 1 304.434 3.425 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235409973 1099006520 /nfs/dbraw/zinc/00/65/20/1099006520.db2.gz WRQWNVSTIIGOOQ-IEBWSBKVSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235409973 1099006532 /nfs/dbraw/zinc/00/65/32/1099006532.db2.gz WRQWNVSTIIGOOQ-IEBWSBKVSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235411074 1099007771 /nfs/dbraw/zinc/00/77/71/1099007771.db2.gz ZYEAAQWKQSNJOH-RTBURBONSA-N 2 1 320.452 3.245 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235411074 1099007785 /nfs/dbraw/zinc/00/77/85/1099007785.db2.gz ZYEAAQWKQSNJOH-RTBURBONSA-N 2 1 320.452 3.245 20 0 DGADMP Oc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235421853 1099013306 /nfs/dbraw/zinc/01/33/06/1099013306.db2.gz CKTQDGAHQQGTCV-HUUCEWRRSA-N 2 1 308.853 3.257 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235424030 1099017147 /nfs/dbraw/zinc/01/71/47/1099017147.db2.gz IWGVJMQOTWRQAI-JKSUJKDBSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424035 1099017301 /nfs/dbraw/zinc/01/73/01/1099017301.db2.gz IYCKMELZWSIYHH-HUUCEWRRSA-N 2 1 306.425 3.046 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426694 1099018263 /nfs/dbraw/zinc/01/82/63/1099018263.db2.gz QCMZPBBGQJULDS-ZWKOTPCHSA-N 2 1 324.509 3.212 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427388 1099020436 /nfs/dbraw/zinc/02/04/36/1099020436.db2.gz RLQRZZMIUCTGRO-DLBZAZTESA-N 2 1 302.462 3.215 20 0 DGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235427403 1099020663 /nfs/dbraw/zinc/02/06/63/1099020663.db2.gz RSNUOUCMTIHXID-HOTGVXAUSA-N 2 1 308.416 3.219 20 0 DGADMP Oc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428528 1099021440 /nfs/dbraw/zinc/02/14/40/1099021440.db2.gz OOKVAPNLJPPSAL-CABCVRRESA-N 2 1 308.853 3.257 20 0 DGADMP Oc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428528 1099021455 /nfs/dbraw/zinc/02/14/55/1099021455.db2.gz OOKVAPNLJPPSAL-CABCVRRESA-N 2 1 308.853 3.257 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ncc1Cl ZINC001235428165 1099022115 /nfs/dbraw/zinc/02/21/15/1099022115.db2.gz PFAUIHJINFIESX-GJZGRUSLSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429109 1099022729 /nfs/dbraw/zinc/02/27/29/1099022729.db2.gz XFAQVXFQLJBHRX-LSDHHAIUSA-N 2 1 308.416 3.485 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428323 1099023356 /nfs/dbraw/zinc/02/33/56/1099023356.db2.gz PLGOACSBFJVQAI-CABCVRRESA-N 2 1 307.869 3.255 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429503 1099023866 /nfs/dbraw/zinc/02/38/66/1099023866.db2.gz YTJNDOOELFPOJA-CHWSQXEVSA-N 2 1 312.379 3.316 20 0 DGADMP Cn1ccc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235430408 1099025031 /nfs/dbraw/zinc/02/50/31/1099025031.db2.gz SPUYEXCHAQAJQL-RTBURBONSA-N 2 1 311.473 3.390 20 0 DGADMP COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429848 1099025930 /nfs/dbraw/zinc/02/59/30/1099025930.db2.gz RQGYCKGGDSZUTF-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP Cn1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235430404 1099026469 /nfs/dbraw/zinc/02/64/69/1099026469.db2.gz SPUYEXCHAQAJQL-MOPGFXCFSA-N 2 1 311.473 3.390 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432207 1099028044 /nfs/dbraw/zinc/02/80/44/1099028044.db2.gz QSCFVGMKGXXFGH-HOTGVXAUSA-N 2 1 320.452 3.354 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431942 1099029030 /nfs/dbraw/zinc/02/90/30/1099029030.db2.gz PORFEWUITZWPGH-HOTGVXAUSA-N 2 1 320.452 3.354 20 0 DGADMP C[N@H+](Cc1c(F)cccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC001235433030 1099031584 /nfs/dbraw/zinc/03/15/84/1099031584.db2.gz DWFVQPGXJIWNNS-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235496431 1099063162 /nfs/dbraw/zinc/06/31/62/1099063162.db2.gz ZCYBVEYDJSEGRI-MJGOQNOKSA-N 2 1 308.510 3.437 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235509951 1099068330 /nfs/dbraw/zinc/06/83/30/1099068330.db2.gz BNOBWQHNRPDEOE-UHFFFAOYSA-N 2 1 308.857 3.380 20 0 DGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CCCC[NH3+])C[C@H]21 ZINC001235562069 1099087803 /nfs/dbraw/zinc/08/78/03/1099087803.db2.gz WKSCIRARSLDRKZ-KBAYOESNSA-N 2 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCCC[NH3+])C[C@H]21 ZINC001235562069 1099087815 /nfs/dbraw/zinc/08/78/15/1099087815.db2.gz WKSCIRARSLDRKZ-KBAYOESNSA-N 3 1 321.534 3.019 20 0 DGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCCC[NH3+])C[C@H]21 ZINC001235562069 1099087829 /nfs/dbraw/zinc/08/78/29/1099087829.db2.gz WKSCIRARSLDRKZ-KBAYOESNSA-N 3 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCCC[NH3+])C[C@H]21 ZINC001235562069 1099087840 /nfs/dbraw/zinc/08/78/40/1099087840.db2.gz WKSCIRARSLDRKZ-KBAYOESNSA-N 2 1 321.534 3.019 20 0 DGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCCC[NH3+])C[C@H]21 ZINC001235562069 1099087854 /nfs/dbraw/zinc/08/78/54/1099087854.db2.gz WKSCIRARSLDRKZ-KBAYOESNSA-N 2 1 321.534 3.019 20 0 DGADMP Fc1ccc(OC2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235670524 1099114301 /nfs/dbraw/zinc/11/43/01/1099114301.db2.gz UICVYOAOQKCETP-MRXNPFEDSA-N 2 1 306.425 3.201 20 0 DGADMP Cc1c(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1Br ZINC001235675087 1099117836 /nfs/dbraw/zinc/11/78/36/1099117836.db2.gz IKMJKJFXFOFBRG-ZDUSSCGKSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1c(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1Br ZINC001235675087 1099117840 /nfs/dbraw/zinc/11/78/40/1099117840.db2.gz IKMJKJFXFOFBRG-ZDUSSCGKSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235688840 1099128164 /nfs/dbraw/zinc/12/81/64/1099128164.db2.gz TVPDRYKEIIWOEW-PKOBYXMFSA-N 2 1 302.462 3.370 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001179570431 1099133232 /nfs/dbraw/zinc/13/32/32/1099133232.db2.gz GXRUJWCLDHHMQK-MOPGFXCFSA-N 2 1 316.489 3.302 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(F)c1 ZINC001235701034 1099134449 /nfs/dbraw/zinc/13/44/49/1099134449.db2.gz CRELDVGIKVIQLD-UHFFFAOYSA-N 2 1 312.379 3.316 20 0 DGADMP COc1ncc(CN(C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001235704466 1099138106 /nfs/dbraw/zinc/13/81/06/1099138106.db2.gz LAPKSTREWTVHLJ-UHFFFAOYSA-N 2 1 311.857 3.048 20 0 DGADMP COc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(F)c1F ZINC001235704980 1099138285 /nfs/dbraw/zinc/13/82/85/1099138285.db2.gz DARILSOKQZNZPF-UHFFFAOYSA-N 2 1 324.415 3.185 20 0 DGADMP c1cncc(O[C@@H]2CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)c1 ZINC001235712977 1099142310 /nfs/dbraw/zinc/14/23/10/1099142310.db2.gz UJTIBKAEOCMUPY-LJQANCHMSA-N 2 1 317.477 3.237 20 0 DGADMP c1cncc(O[C@@H]2CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)c1 ZINC001235712977 1099142318 /nfs/dbraw/zinc/14/23/18/1099142318.db2.gz UJTIBKAEOCMUPY-LJQANCHMSA-N 2 1 317.477 3.237 20 0 DGADMP CC(C)Oc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1F ZINC001235717118 1099143196 /nfs/dbraw/zinc/14/31/96/1099143196.db2.gz DQVQXULMFDYUQV-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccn1Cc1ccccc1 ZINC001235716882 1099143536 /nfs/dbraw/zinc/14/35/36/1099143536.db2.gz LCAKHUPSEQANEU-UHFFFAOYSA-N 2 1 311.473 3.358 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001235718782 1099146211 /nfs/dbraw/zinc/14/62/11/1099146211.db2.gz NQDWYOQIENNQPL-INWMFGNUSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001235718782 1099146213 /nfs/dbraw/zinc/14/62/13/1099146213.db2.gz NQDWYOQIENNQPL-INWMFGNUSA-N 2 1 312.379 3.453 20 0 DGADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001235749563 1099163350 /nfs/dbraw/zinc/16/33/50/1099163350.db2.gz IFMWURAQINWZAN-MRXNPFEDSA-N 2 1 313.420 3.374 20 0 DGADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC001235750202 1099163766 /nfs/dbraw/zinc/16/37/66/1099163766.db2.gz MBCHRAIGRQKCJJ-GOSISDBHSA-N 2 1 310.441 3.355 20 0 DGADMP CC[N@H+](Cc1sc(Br)cc1C)C1CC[NH2+]CC1 ZINC001235764481 1099170299 /nfs/dbraw/zinc/17/02/99/1099170299.db2.gz GLFDNBZUNABYIV-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP CC[N@@H+](Cc1sc(Br)cc1C)C1CC[NH2+]CC1 ZINC001235764481 1099170301 /nfs/dbraw/zinc/17/03/01/1099170301.db2.gz GLFDNBZUNABYIV-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP CC[N@@H+](CCc1ccccc1Br)C1CC[NH2+]CC1 ZINC001235762622 1099170444 /nfs/dbraw/zinc/17/04/44/1099170444.db2.gz ZTRPMRKAKSQQEL-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCc1ccccc1Cl ZINC001235839455 1099201890 /nfs/dbraw/zinc/20/18/90/1099201890.db2.gz SJKDXEJSOPQKDN-OCCSQVGLSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCc1ccccc1Cl ZINC001235839455 1099201898 /nfs/dbraw/zinc/20/18/98/1099201898.db2.gz SJKDXEJSOPQKDN-OCCSQVGLSA-N 2 1 316.823 3.305 20 0 DGADMP C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235839108 1099203230 /nfs/dbraw/zinc/20/32/30/1099203230.db2.gz JRJROCDKHQWKET-UHFFFAOYSA-N 2 1 308.425 3.037 20 0 DGADMP Cc1c(Br)ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1C ZINC001235840883 1099204469 /nfs/dbraw/zinc/20/44/69/1099204469.db2.gz CICLBZPNEZXLNI-ZDUSSCGKSA-N 2 1 311.267 3.107 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792527 1099204917 /nfs/dbraw/zinc/20/49/17/1099204917.db2.gz QPSXNGGCNQWVSM-QZTJIDSGSA-N 2 1 323.525 3.070 20 0 DGADMP C[N@H+](Cc1ccc2occ(Br)c2c1)C[C@@H]1CC[NH2+]C1 ZINC001235841208 1099205568 /nfs/dbraw/zinc/20/55/68/1099205568.db2.gz ZOJDENXINHSWPL-GFCCVEGCSA-N 2 1 323.234 3.237 20 0 DGADMP C[N@H+](Cc1cccc(OCc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001235842350 1099207300 /nfs/dbraw/zinc/20/73/00/1099207300.db2.gz OHJYECXHBXGCFO-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001179829618 1099212235 /nfs/dbraw/zinc/21/22/35/1099212235.db2.gz DPIMBABVFVMHFA-CQSZACIVSA-N 2 1 301.434 3.150 20 0 DGADMP Cc1nc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)ccc2s1 ZINC001235866964 1099227530 /nfs/dbraw/zinc/22/75/30/1099227530.db2.gz TVMWCGLIDYEYLU-UHFFFAOYSA-N 2 1 303.475 3.378 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891348 1099236203 /nfs/dbraw/zinc/23/62/03/1099236203.db2.gz FYWKHAWTNJPBPO-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891348 1099236210 /nfs/dbraw/zinc/23/62/10/1099236210.db2.gz FYWKHAWTNJPBPO-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])ccc1C(F)(F)F ZINC001235926295 1099263649 /nfs/dbraw/zinc/26/36/49/1099263649.db2.gz WSVXBEQTDLWKNR-LBPRGKRZSA-N 2 1 302.340 3.027 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929117 1099265223 /nfs/dbraw/zinc/26/52/23/1099265223.db2.gz IFUBASBYKLGLCI-CABCVRRESA-N 2 1 312.379 3.179 20 0 DGADMP Fc1cccc([C@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)c1 ZINC001235933587 1099268287 /nfs/dbraw/zinc/26/82/87/1099268287.db2.gz GNQWAOYRWIUAIW-KRWDZBQOSA-N 2 1 302.437 3.395 20 0 DGADMP CCCOc1ccccc1C[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235937364 1099273526 /nfs/dbraw/zinc/27/35/26/1099273526.db2.gz LKILBXODISBDLH-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CCCOc1ccccc1C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235937364 1099273534 /nfs/dbraw/zinc/27/35/34/1099273534.db2.gz LKILBXODISBDLH-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CCCOc1ccc(C[N@@H+](CCCOC)C2CC[NH2+]CC2)cc1 ZINC001235938607 1099273583 /nfs/dbraw/zinc/27/35/83/1099273583.db2.gz YECIIMHSWMUNAP-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP Fc1ccc([C@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235949964 1099282424 /nfs/dbraw/zinc/28/24/24/1099282424.db2.gz XZHRMQBLYLHNCF-KRWDZBQOSA-N 2 1 302.437 3.395 20 0 DGADMP Clc1cccc([C@H]2CC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)c1 ZINC001235950283 1099282439 /nfs/dbraw/zinc/28/24/39/1099282439.db2.gz YULNHOMKUMATAX-HNNXBMFYSA-N 2 1 315.848 3.234 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950641 1099283953 /nfs/dbraw/zinc/28/39/53/1099283953.db2.gz JSVBVTMHVFNDGE-KRWDZBQOSA-N 2 1 312.498 3.212 20 0 DGADMP COc1c(Cl)cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC001235952553 1099285822 /nfs/dbraw/zinc/28/58/22/1099285822.db2.gz ZJNFDDUIUZNQDU-NSHDSACASA-N 2 1 317.260 3.433 20 0 DGADMP COc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC001235952553 1099285828 /nfs/dbraw/zinc/28/58/28/1099285828.db2.gz ZJNFDDUIUZNQDU-NSHDSACASA-N 2 1 317.260 3.433 20 0 DGADMP CCCCOc1ncc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1C ZINC001235956722 1099286899 /nfs/dbraw/zinc/28/68/99/1099286899.db2.gz GMLWEVRKDZALMT-MRXNPFEDSA-N 2 1 305.466 3.000 20 0 DGADMP CCCCOc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1C ZINC001235956722 1099286905 /nfs/dbraw/zinc/28/69/05/1099286905.db2.gz GMLWEVRKDZALMT-MRXNPFEDSA-N 2 1 305.466 3.000 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C[C@H]1CCC[NH2+]C1 ZINC001235957640 1099288282 /nfs/dbraw/zinc/28/82/82/1099288282.db2.gz QZGVZUKJKYJYMZ-INIZCTEOSA-N 2 1 302.462 3.222 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957622 1099288733 /nfs/dbraw/zinc/28/87/33/1099288733.db2.gz QRQDHQMBGHUJFD-CYBMUJFWSA-N 2 1 316.367 3.325 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cnc1-c1ccccc1 ZINC001235957996 1099289462 /nfs/dbraw/zinc/28/94/62/1099289462.db2.gz AIGPNHUNDBPRLY-REPLKXPHSA-N 2 1 307.441 3.226 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cnc1-c1ccccc1 ZINC001235957996 1099289471 /nfs/dbraw/zinc/28/94/71/1099289471.db2.gz AIGPNHUNDBPRLY-REPLKXPHSA-N 2 1 307.441 3.226 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C2 ZINC001235958229 1099289607 /nfs/dbraw/zinc/28/96/07/1099289607.db2.gz AUCVHLZOLZIHGK-DABQJJPHSA-N 2 1 316.392 3.468 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C2 ZINC001235958229 1099289616 /nfs/dbraw/zinc/28/96/16/1099289616.db2.gz AUCVHLZOLZIHGK-DABQJJPHSA-N 2 1 316.392 3.468 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCc1ccc(Br)cc1)C2 ZINC001235960031 1099292589 /nfs/dbraw/zinc/29/25/89/1099292589.db2.gz STZSBWPOQMJVBM-MIFYACCESA-N 2 1 323.278 3.051 20 0 DGADMP CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961515 1099294448 /nfs/dbraw/zinc/29/44/48/1099294448.db2.gz BFPDPJQQNSBQLS-WFASDCNBSA-N 2 1 300.368 3.138 20 0 DGADMP CC[N@H+](Cc1ccc(F)cc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961515 1099294454 /nfs/dbraw/zinc/29/44/54/1099294454.db2.gz BFPDPJQQNSBQLS-WFASDCNBSA-N 2 1 300.368 3.138 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C2 ZINC001235960527 1099294551 /nfs/dbraw/zinc/29/45/51/1099294551.db2.gz YTJXKKCDZBCZJO-GNXNZQSNSA-N 2 1 302.315 3.014 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C2 ZINC001235960527 1099294558 /nfs/dbraw/zinc/29/45/58/1099294558.db2.gz YTJXKKCDZBCZJO-GNXNZQSNSA-N 2 1 302.315 3.014 20 0 DGADMP COC[C@H](C)[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963109 1099295050 /nfs/dbraw/zinc/29/50/50/1099295050.db2.gz UKDIHVNURHOYHT-WMZOPIPTSA-N 2 1 320.477 3.064 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235963109 1099295058 /nfs/dbraw/zinc/29/50/58/1099295058.db2.gz UKDIHVNURHOYHT-WMZOPIPTSA-N 2 1 320.477 3.064 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235972268 1099301316 /nfs/dbraw/zinc/30/13/16/1099301316.db2.gz FLZLGOACNVFSNI-PBHICJAKSA-N 2 1 308.853 3.183 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)co2)CC1 ZINC001180077760 1099303015 /nfs/dbraw/zinc/30/30/15/1099303015.db2.gz UTRJIJUXHGJKGX-UHFFFAOYSA-N 2 1 308.466 3.158 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235989272 1099312766 /nfs/dbraw/zinc/31/27/66/1099312766.db2.gz IULCPWRPAKHJRO-FOIQADDNSA-N 2 1 305.425 3.255 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235989272 1099312781 /nfs/dbraw/zinc/31/27/81/1099312781.db2.gz IULCPWRPAKHJRO-FOIQADDNSA-N 2 1 305.425 3.255 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235992201 1099314594 /nfs/dbraw/zinc/31/45/94/1099314594.db2.gz MNBARPNVKOBHLV-FXAWDEMLSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235992201 1099314605 /nfs/dbraw/zinc/31/46/05/1099314605.db2.gz MNBARPNVKOBHLV-FXAWDEMLSA-N 2 1 308.425 3.285 20 0 DGADMP c1cc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2[nH]1 ZINC001236008247 1099331341 /nfs/dbraw/zinc/33/13/41/1099331341.db2.gz CQVAIVOPMCGDTI-CTNGQTDRSA-N 2 1 317.436 3.141 20 0 DGADMP CSc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012358 1099334472 /nfs/dbraw/zinc/33/44/72/1099334472.db2.gz IUETXEMJQSCRIA-QUCCMNQESA-N 2 1 324.493 3.382 20 0 DGADMP CSc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012358 1099334487 /nfs/dbraw/zinc/33/44/87/1099334487.db2.gz IUETXEMJQSCRIA-QUCCMNQESA-N 2 1 324.493 3.382 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1F ZINC001236012519 1099334593 /nfs/dbraw/zinc/33/45/93/1099334593.db2.gz NYBHVJABPQSDSH-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1F ZINC001236012519 1099334604 /nfs/dbraw/zinc/33/46/04/1099334604.db2.gz NYBHVJABPQSDSH-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP CCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236013164 1099334644 /nfs/dbraw/zinc/33/46/44/1099334644.db2.gz ZHFCIHRUJGCZOT-RTWAWAEBSA-N 2 1 306.453 3.222 20 0 DGADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001236012308 1099335496 /nfs/dbraw/zinc/33/54/96/1099335496.db2.gz HQWGWKBHIHLHBC-UKAVVXHISA-N 2 1 310.485 3.452 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011012 1099335579 /nfs/dbraw/zinc/33/55/79/1099335579.db2.gz XXFUUPMOPNGBMB-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011012 1099335593 /nfs/dbraw/zinc/33/55/93/1099335593.db2.gz XXFUUPMOPNGBMB-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044190 1099344346 /nfs/dbraw/zinc/34/43/46/1099344346.db2.gz KLJCSXIMZZNFJV-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001236044190 1099344354 /nfs/dbraw/zinc/34/43/54/1099344354.db2.gz KLJCSXIMZZNFJV-TZMCWYRMSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044049 1099345025 /nfs/dbraw/zinc/34/50/25/1099345025.db2.gz ISXQLGJCKJCGPN-WFASDCNBSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001236044049 1099345036 /nfs/dbraw/zinc/34/50/36/1099345036.db2.gz ISXQLGJCKJCGPN-WFASDCNBSA-N 2 1 311.267 3.051 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236058709 1099358465 /nfs/dbraw/zinc/35/84/65/1099358465.db2.gz ALUDPRACAHUFIA-IAOVAPTHSA-N 2 1 308.416 3.487 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236058709 1099358475 /nfs/dbraw/zinc/35/84/75/1099358475.db2.gz ALUDPRACAHUFIA-IAOVAPTHSA-N 2 1 308.416 3.487 20 0 DGADMP COC[C@H]1CCCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204263246 1099359150 /nfs/dbraw/zinc/35/91/50/1099359150.db2.gz IUZNIVVCCFXWKK-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC)cc3)c2)C1 ZINC001236065599 1099364499 /nfs/dbraw/zinc/36/44/99/1099364499.db2.gz BTAQYTIQURAEJA-QGZVFWFLSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001236066823 1099365681 /nfs/dbraw/zinc/36/56/81/1099365681.db2.gz LDUDKBCUTCHPPU-ZDUSSCGKSA-N 2 1 301.261 3.467 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001236067713 1099365782 /nfs/dbraw/zinc/36/57/82/1099365782.db2.gz UICSUSCFAYNQFU-INIZCTEOSA-N 2 1 318.461 3.058 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001236067713 1099365794 /nfs/dbraw/zinc/36/57/94/1099365794.db2.gz UICSUSCFAYNQFU-INIZCTEOSA-N 2 1 318.461 3.058 20 0 DGADMP CC1(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CC[NH2+]CC1 ZINC001236084742 1099376121 /nfs/dbraw/zinc/37/61/21/1099376121.db2.gz FTDYDJGXAQVDFA-UHFFFAOYSA-N 2 1 312.379 3.453 20 0 DGADMP CCCCCCc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)s1 ZINC001236081514 1099377031 /nfs/dbraw/zinc/37/70/31/1099377031.db2.gz PLNXLQLWDOIDQX-UHFFFAOYSA-N 2 1 323.550 3.208 20 0 DGADMP Clc1cccc(OC2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001236088702 1099379562 /nfs/dbraw/zinc/37/95/62/1099379562.db2.gz HPAAXRFDAPOZQH-AWEZNQCLSA-N 2 1 323.868 3.110 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236092038 1099380837 /nfs/dbraw/zinc/38/08/37/1099380837.db2.gz DZABZWVIMWWNPW-OALUTQOASA-N 2 1 316.489 3.339 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108522 1099396462 /nfs/dbraw/zinc/39/64/62/1099396462.db2.gz KFEZBKVOTIOIBG-VWPFQQQWSA-N 2 1 306.400 3.064 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108522 1099396475 /nfs/dbraw/zinc/39/64/75/1099396475.db2.gz KFEZBKVOTIOIBG-VWPFQQQWSA-N 2 1 306.400 3.064 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108524 1099396586 /nfs/dbraw/zinc/39/65/86/1099396586.db2.gz KFEZBKVOTIOIBG-ZJOBFFGXSA-N 2 1 306.400 3.064 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108524 1099396600 /nfs/dbraw/zinc/39/66/00/1099396600.db2.gz KFEZBKVOTIOIBG-ZJOBFFGXSA-N 2 1 306.400 3.064 20 0 DGADMP C[N@@H+](CCc1ccc(Br)cc1)C1(C)CC[NH2+]CC1 ZINC001236221728 1099479790 /nfs/dbraw/zinc/47/97/90/1099479790.db2.gz FBXCSBARANLFNR-UHFFFAOYSA-N 2 1 311.267 3.066 20 0 DGADMP CCC[C@H]1CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001236176881 1099448184 /nfs/dbraw/zinc/44/81/84/1099448184.db2.gz LSSJZCCOKNKYTN-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001236213818 1099469897 /nfs/dbraw/zinc/46/98/97/1099469897.db2.gz WTUHWXAYUUNKFH-UHFFFAOYSA-N 2 1 310.825 3.031 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236228797 1099483921 /nfs/dbraw/zinc/48/39/21/1099483921.db2.gz ZHXPLCXLKVIMHF-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236228797 1099483925 /nfs/dbraw/zinc/48/39/25/1099483925.db2.gz ZHXPLCXLKVIMHF-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP [NH3+]C1CCC([N@@H+](CCC2CC[NH2+]CC2)Cc2ccccc2)CC1 ZINC001236227273 1099484320 /nfs/dbraw/zinc/48/43/20/1099484320.db2.gz BBXGZTRSYSIQMB-UHFFFAOYSA-N 3 1 315.505 3.148 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[C@H]1CCCC[NH2+]1 ZINC001236253149 1099502755 /nfs/dbraw/zinc/50/27/55/1099502755.db2.gz KCWKPMMRESHOPW-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC001236266306 1099507837 /nfs/dbraw/zinc/50/78/37/1099507837.db2.gz PNEVHAFDLBYNGV-UHFFFAOYSA-N 2 1 324.509 3.354 20 0 DGADMP C[C@H](CC[NH2+]Cc1cccc2c1NCCC2)[NH+]1CCCCC1 ZINC001180809176 1099509562 /nfs/dbraw/zinc/50/95/62/1099509562.db2.gz BWRJVOFPXIILPH-MRXNPFEDSA-N 2 1 301.478 3.399 20 0 DGADMP c1[nH+]c(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)n2ccccc12 ZINC001236269833 1099511039 /nfs/dbraw/zinc/51/10/39/1099511039.db2.gz NVYYVJDQINDUNG-GOSISDBHSA-N 2 1 320.440 3.089 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@H+]1CCCCC[NH3+] ZINC001236273027 1099515180 /nfs/dbraw/zinc/51/51/80/1099515180.db2.gz BXOFIKLFYITYTB-QZTJIDSGSA-N 2 1 318.461 3.274 20 0 DGADMP OCCCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236305577 1099525675 /nfs/dbraw/zinc/52/56/75/1099525675.db2.gz YHJAVVCJGDWWFD-UHFFFAOYSA-N 2 1 316.489 3.137 20 0 DGADMP Clc1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2c1 ZINC001236316150 1099529934 /nfs/dbraw/zinc/52/99/34/1099529934.db2.gz PIJKTSBGFZEUML-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP CC1(C[N@@H+](CCCCCCO)Cc2ccccc2)CC[NH2+]CC1 ZINC001236318087 1099531488 /nfs/dbraw/zinc/53/14/88/1099531488.db2.gz ZRFVUPRJEPBXNS-UHFFFAOYSA-N 2 1 318.505 3.431 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236317350 1099531590 /nfs/dbraw/zinc/53/15/90/1099531590.db2.gz WHQSWUJFFJOPAN-HDICACEKSA-N 2 1 313.489 3.108 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001236321116 1099533202 /nfs/dbraw/zinc/53/32/02/1099533202.db2.gz WLRIYCAHLCCKSU-KDURUIRLSA-N 2 1 307.441 3.180 20 0 DGADMP Clc1ccnc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc12 ZINC001236320155 1099534598 /nfs/dbraw/zinc/53/45/98/1099534598.db2.gz DTKKBIYZBAAITO-GASCZTMLSA-N 2 1 315.848 3.320 20 0 DGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1F ZINC001236321686 1099535832 /nfs/dbraw/zinc/53/58/32/1099535832.db2.gz KYMNWTBEAJIUAJ-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP COc1cccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236371243 1099557123 /nfs/dbraw/zinc/55/71/23/1099557123.db2.gz ISWRTHGNCYMEJX-GOSISDBHSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236370376 1099557465 /nfs/dbraw/zinc/55/74/65/1099557465.db2.gz DSJRCPNYUHDJEV-SFHVURJKSA-N 2 1 316.489 3.482 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c1)NCC2 ZINC001236374980 1099558965 /nfs/dbraw/zinc/55/89/65/1099558965.db2.gz HNPNNWHIHHEYHS-MRXNPFEDSA-N 2 1 313.489 3.399 20 0 DGADMP CCOc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cn1 ZINC001236374905 1099559434 /nfs/dbraw/zinc/55/94/34/1099559434.db2.gz GJCLAXZEBPEXKH-INIZCTEOSA-N 2 1 317.477 3.225 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1O ZINC001236374508 1099560481 /nfs/dbraw/zinc/56/04/81/1099560481.db2.gz DJTVFTKHIPZVEC-QGZVFWFLSA-N 2 1 302.462 3.445 20 0 DGADMP CC[N@@H+](CCc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236407531 1099581804 /nfs/dbraw/zinc/58/18/04/1099581804.db2.gz FVRBCOOYXUPGIU-GFCCVEGCSA-N 2 1 301.261 3.467 20 0 DGADMP CC[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236409122 1099582098 /nfs/dbraw/zinc/58/20/98/1099582098.db2.gz RWTVOZBJOYKAGY-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236409122 1099582108 /nfs/dbraw/zinc/58/21/08/1099582108.db2.gz RWTVOZBJOYKAGY-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1cc(C(F)(F)F)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236408127 1099582244 /nfs/dbraw/zinc/58/22/44/1099582244.db2.gz LBAJFKZIVKFGHP-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236409800 1099583364 /nfs/dbraw/zinc/58/33/64/1099583364.db2.gz WWHPYKMZNMEGBO-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236409800 1099583374 /nfs/dbraw/zinc/58/33/74/1099583374.db2.gz WWHPYKMZNMEGBO-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236409550 1099584788 /nfs/dbraw/zinc/58/47/88/1099584788.db2.gz VSHQPIFNISIZQD-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+](Cc1cc(OC)ccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236412511 1099585719 /nfs/dbraw/zinc/58/57/19/1099585719.db2.gz VXJZSOMFKIKGIB-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415371 1099589755 /nfs/dbraw/zinc/58/97/55/1099589755.db2.gz TUIHXKZGQAOZNH-PMOLBWCYSA-N 2 1 308.425 3.437 20 0 DGADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415371 1099589767 /nfs/dbraw/zinc/58/97/67/1099589767.db2.gz TUIHXKZGQAOZNH-PMOLBWCYSA-N 2 1 308.425 3.437 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001236419276 1099594273 /nfs/dbraw/zinc/59/42/73/1099594273.db2.gz LIKJPOVFTOUDKB-OAHLLOKOSA-N 2 1 311.267 3.066 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001236419276 1099594285 /nfs/dbraw/zinc/59/42/85/1099594285.db2.gz LIKJPOVFTOUDKB-OAHLLOKOSA-N 2 1 311.267 3.066 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001236422598 1099598476 /nfs/dbraw/zinc/59/84/76/1099598476.db2.gz YMYVCHYBBXNIRR-QZTJIDSGSA-N 2 1 308.510 3.338 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc2c1NCC2)C1CC[NH2+]CC1 ZINC001236459597 1099622941 /nfs/dbraw/zinc/62/29/41/1099622941.db2.gz VVDJUCZLRRPBKF-UHFFFAOYSA-N 2 1 301.478 3.255 20 0 DGADMP CN(C)c1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)s1 ZINC001236458227 1099623479 /nfs/dbraw/zinc/62/34/79/1099623479.db2.gz UAZPWYNWZXKOGW-UHFFFAOYSA-N 2 1 309.523 3.414 20 0 DGADMP CCCOc1ccc(C[N@H+](CCOCC)C2CC[NH2+]CC2)cc1 ZINC001236460314 1099625381 /nfs/dbraw/zinc/62/53/81/1099625381.db2.gz PDPWIPZRPAMSTK-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CCCOc1ccc(C[N@@H+](CCOCC)C2CC[NH2+]CC2)cc1 ZINC001236460314 1099625388 /nfs/dbraw/zinc/62/53/88/1099625388.db2.gz PDPWIPZRPAMSTK-UHFFFAOYSA-N 2 1 320.477 3.066 20 0 DGADMP CCOCC[N@@H+](Cc1c(C)cccc1CC)C1CC[NH2+]CC1 ZINC001236465840 1099626835 /nfs/dbraw/zinc/62/68/35/1099626835.db2.gz SYGBEYVJGUJWRI-UHFFFAOYSA-N 2 1 304.478 3.148 20 0 DGADMP COc1ccc(C[N@@H+](CCC2CC2)C2CC[NH2+]CC2)cc1F ZINC001236515176 1099654457 /nfs/dbraw/zinc/65/44/57/1099654457.db2.gz GCNVRGGCNKHKGC-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543520 1099672374 /nfs/dbraw/zinc/67/23/74/1099672374.db2.gz XIAXSOHQGRXETL-VDHUWJSZSA-N 2 1 302.462 3.423 20 0 DGADMP Nc1c(F)cccc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541730 1099672666 /nfs/dbraw/zinc/67/26/66/1099672666.db2.gz SARRMCNLNLGKOZ-WKILWMFISA-N 2 1 305.441 3.280 20 0 DGADMP CC(C)C[N@@H+](CCc1ccc2c(c1)CCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549801 1099675460 /nfs/dbraw/zinc/67/54/60/1099675460.db2.gz CTOPKLSTFXGTGN-WGSAOQKQSA-N 2 1 316.489 3.392 20 0 DGADMP COc1cc(C)ccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550848 1099675953 /nfs/dbraw/zinc/67/59/53/1099675953.db2.gz HTZLJYZCQSALDO-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc2c1OCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551896 1099676986 /nfs/dbraw/zinc/67/69/86/1099676986.db2.gz NUHCSMFNYMZECQ-WKILWMFISA-N 2 1 304.434 3.143 20 0 DGADMP CCOc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)n1 ZINC001236552096 1099678026 /nfs/dbraw/zinc/67/80/26/1099678026.db2.gz HMBQUKAQBLJDRK-IYARVYRRSA-N 2 1 317.477 3.271 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC23CC([NH3+])(C2)C3)C2CCCCC2)CC1 ZINC001236565474 1099680421 /nfs/dbraw/zinc/68/04/21/1099680421.db2.gz HRCJCCVNTCASGU-VHQLZKCGSA-N 3 1 305.510 3.163 20 0 DGADMP CNc1ccc(C[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236562990 1099680516 /nfs/dbraw/zinc/68/05/16/1099680516.db2.gz UXZTYTHSQWAPME-KESTWPANSA-N 2 1 324.472 3.395 20 0 DGADMP Nc1nc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001236567658 1099682582 /nfs/dbraw/zinc/68/25/82/1099682582.db2.gz PRGCCKIXJSSUFA-NNUKFRKNSA-N 2 1 308.495 3.130 20 0 DGADMP CCOc1cc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236571820 1099684750 /nfs/dbraw/zinc/68/47/50/1099684750.db2.gz HSQCOAMAEZTXQY-SAABIXHNSA-N 2 1 317.477 3.495 20 0 DGADMP [NH3+]Cc1cccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236574976 1099684821 /nfs/dbraw/zinc/68/48/21/1099684821.db2.gz ZLKZQMVBCDGKJO-UAPYVXQJSA-N 3 1 301.478 3.160 20 0 DGADMP Nc1nccc(Cl)c1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572372 1099685078 /nfs/dbraw/zinc/68/50/78/1099685078.db2.gz WRDSSGAYBHZWCB-MQMHXKEQSA-N 2 1 322.884 3.332 20 0 DGADMP C[C@@H](C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)OCc1ccccc1 ZINC001236584454 1099690575 /nfs/dbraw/zinc/69/05/75/1099690575.db2.gz CRAOALDKCOSJOI-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP Fc1ccc2c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c[nH]c2c1 ZINC001236597276 1099694080 /nfs/dbraw/zinc/69/40/80/1099694080.db2.gz BFFDVLNVHQDEFU-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236604007 1099699452 /nfs/dbraw/zinc/69/94/52/1099699452.db2.gz BAYJARMDFNRCDK-OAHLLOKOSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(OC)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236604007 1099699457 /nfs/dbraw/zinc/69/94/57/1099699457.db2.gz BAYJARMDFNRCDK-OAHLLOKOSA-N 2 1 318.461 3.058 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C[C@H](C)CO)C[C@H]2CC1 ZINC001277995014 1099733809 /nfs/dbraw/zinc/73/38/09/1099733809.db2.gz SHKXBVCDQRYJGR-ZGXWSNOMSA-N 2 1 324.553 3.475 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C[C@H](C)CO)C[C@H]2CC1 ZINC001277995014 1099733816 /nfs/dbraw/zinc/73/38/16/1099733816.db2.gz SHKXBVCDQRYJGR-ZGXWSNOMSA-N 2 1 324.553 3.475 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](C[C@H](C)CO)C[C@H]2CC1 ZINC001277995014 1099733826 /nfs/dbraw/zinc/73/38/26/1099733826.db2.gz SHKXBVCDQRYJGR-ZGXWSNOMSA-N 2 1 324.553 3.475 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4ccccc4cc3OC)C[C@H]2C1 ZINC001236682778 1099741708 /nfs/dbraw/zinc/74/17/08/1099741708.db2.gz PKGUWMSTBVYTGQ-RTBURBONSA-N 2 1 310.441 3.232 20 0 DGADMP Cc1cccc(C[N@@H+](Cc2ncccc2N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729122 1099762114 /nfs/dbraw/zinc/76/21/14/1099762114.db2.gz NDDQXILZGRBIOJ-IYARVYRRSA-N 2 1 324.472 3.244 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236817225 1099806870 /nfs/dbraw/zinc/80/68/70/1099806870.db2.gz AKODBMBVAAAZNN-CFVMTHIKSA-N 2 1 314.351 3.063 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC001236829472 1099814462 /nfs/dbraw/zinc/81/44/62/1099814462.db2.gz KNFNPECTNMTSMD-DFQSSKMNSA-N 2 1 309.457 3.075 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(COc4ccccc4)cc3)C[C@H]12 ZINC001236831831 1099817025 /nfs/dbraw/zinc/81/70/25/1099817025.db2.gz RPMCXFLOKLDWRZ-SESVDKBCSA-N 2 1 322.452 3.435 20 0 DGADMP CCC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835932 1099823134 /nfs/dbraw/zinc/82/31/34/1099823134.db2.gz QWEKZAREHWSHLB-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP CCC[N@@H+](Cc1ccc(F)cc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236842863 1099827015 /nfs/dbraw/zinc/82/70/15/1099827015.db2.gz BMGYLKSJVWTKON-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1ccc(F)cc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236842863 1099827022 /nfs/dbraw/zinc/82/70/22/1099827022.db2.gz BMGYLKSJVWTKON-HNNXBMFYSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@@H+](Cc1cc(Cl)c(OC)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236844874 1099829874 /nfs/dbraw/zinc/82/98/74/1099829874.db2.gz WPLYBSYHBJVDGC-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1cc(Cl)c(OC)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236844874 1099829879 /nfs/dbraw/zinc/82/98/79/1099829879.db2.gz WPLYBSYHBJVDGC-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCC(CC)[N@@H+](CC)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236891360 1099852060 /nfs/dbraw/zinc/85/20/60/1099852060.db2.gz VXBAOUMSQKCPAA-UHFFFAOYSA-N 2 1 303.494 3.449 20 0 DGADMP C[N@H+]1CCN(Cc2ccc(-n3ccnc3)c(Cl)c2)CC1(C)C ZINC001236913066 1099872572 /nfs/dbraw/zinc/87/25/72/1099872572.db2.gz ZKSWTLPUKQEGOB-UHFFFAOYSA-N 2 1 318.852 3.052 20 0 DGADMP OC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001236912985 1099872891 /nfs/dbraw/zinc/87/28/91/1099872891.db2.gz FXSBCGHTOPDKHM-CQSZACIVSA-N 2 1 319.836 3.120 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@H]1O ZINC001236913252 1099873586 /nfs/dbraw/zinc/87/35/86/1099873586.db2.gz JPSVTPKLLRWTFW-GUYCJALGSA-N 2 1 319.836 3.119 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@H]1O ZINC001236913253 1099874309 /nfs/dbraw/zinc/87/43/09/1099874309.db2.gz JPSVTPKLLRWTFW-SUMWQHHRSA-N 2 1 319.836 3.119 20 0 DGADMP CCC1CC[NH+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236960618 1099890681 /nfs/dbraw/zinc/89/06/81/1099890681.db2.gz SASMIFBGJSFLMV-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC001236974598 1099897118 /nfs/dbraw/zinc/89/71/18/1099897118.db2.gz UBCPYYFQJUNEOF-HZPDHXFCSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC001236974598 1099897123 /nfs/dbraw/zinc/89/71/23/1099897123.db2.gz UBCPYYFQJUNEOF-HZPDHXFCSA-N 2 1 319.468 3.198 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001237044528 1099941164 /nfs/dbraw/zinc/94/11/64/1099941164.db2.gz XECQQRHDOGMTMC-LJQANCHMSA-N 2 1 324.424 3.269 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CCC[NH+](C)C)C2)C1 ZINC001278049103 1099955702 /nfs/dbraw/zinc/95/57/02/1099955702.db2.gz FVBCZYFJEPKDAX-GOSISDBHSA-N 2 1 309.542 3.162 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC001278056065 1099982322 /nfs/dbraw/zinc/98/23/22/1099982322.db2.gz TXKMSUIOIDBSDI-SLFFLAALSA-N 2 1 321.553 3.447 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237141756 1099992401 /nfs/dbraw/zinc/99/24/01/1099992401.db2.gz FZESNLIFHFAPGZ-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237141756 1099992414 /nfs/dbraw/zinc/99/24/14/1099992414.db2.gz FZESNLIFHFAPGZ-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237141756 1099992425 /nfs/dbraw/zinc/99/24/25/1099992425.db2.gz FZESNLIFHFAPGZ-HIFRSBDPSA-N 2 1 315.848 3.272 20 0 DGADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@@]4(C3)CNCCO4)c2)cc1 ZINC001237143952 1099992970 /nfs/dbraw/zinc/99/29/70/1099992970.db2.gz SXWIYHGRJCQWOA-FQEVSTJZSA-N 2 1 324.424 3.043 20 0 DGADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@@]4(C3)CNCCO4)c2)cc1 ZINC001237143952 1099992979 /nfs/dbraw/zinc/99/29/79/1099992979.db2.gz SXWIYHGRJCQWOA-FQEVSTJZSA-N 2 1 324.424 3.043 20 0 DGADMP CCCCCCc1csc(C[N@@H+]2CC[C@@]3(C2)CNCCO3)c1 ZINC001237143495 1099993919 /nfs/dbraw/zinc/99/39/19/1099993919.db2.gz GDVWCGBTRIOCMG-SFHVURJKSA-N 2 1 322.518 3.435 20 0 DGADMP CCCCCCc1csc(C[N@H+]2CC[C@@]3(C2)CNCCO3)c1 ZINC001237143495 1099993929 /nfs/dbraw/zinc/99/39/29/1099993929.db2.gz GDVWCGBTRIOCMG-SFHVURJKSA-N 2 1 322.518 3.435 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001237188529 1100022146 /nfs/dbraw/zinc/02/21/46/1100022146.db2.gz PVEVCULOKJXVDP-UZLBHIALSA-N 2 1 316.464 3.495 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001237187058 1100022577 /nfs/dbraw/zinc/02/25/77/1100022577.db2.gz BXJMFHCMGZVUMR-SAABIXHNSA-N 2 1 301.478 3.107 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001237187729 1100023374 /nfs/dbraw/zinc/02/33/74/1100023374.db2.gz JPZYNRXEILEPRX-BEFAXECRSA-N 2 1 302.437 3.105 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001237186992 1100023799 /nfs/dbraw/zinc/02/37/99/1100023799.db2.gz BAWQOQDAEJLGDG-SFHVURJKSA-N 2 1 320.427 3.197 20 0 DGADMP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1CCCCC[NH3+] ZINC001237190153 1100026245 /nfs/dbraw/zinc/02/62/45/1100026245.db2.gz CWZQJHJGSWBRGR-GFCCVEGCSA-N 2 1 311.267 3.325 20 0 DGADMP [NH3+]C12CC(CC[N@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@@H]4C3)(C1)C2 ZINC001237230471 1100041628 /nfs/dbraw/zinc/04/16/28/1100041628.db2.gz GHOWDVWJNFJLNX-WSDZMALLSA-N 2 1 317.864 3.195 20 0 DGADMP Brc1ccc(C[C@@H]2CCC[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001237257365 1100049841 /nfs/dbraw/zinc/04/98/41/1100049841.db2.gz FWIROETWGUVPKJ-INIZCTEOSA-N 2 1 323.278 3.066 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380231 1100098335 /nfs/dbraw/zinc/09/83/35/1100098335.db2.gz GILKJFBJVNXOGV-QZTJIDSGSA-N 2 1 324.509 3.354 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237379400 1100099230 /nfs/dbraw/zinc/09/92/30/1100099230.db2.gz BCTSARPAWSSRHO-ZBFHGGJFSA-N 2 1 312.379 3.322 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237393913 1100107283 /nfs/dbraw/zinc/10/72/83/1100107283.db2.gz UEXPEFLAIDPRPO-MJGOQNOKSA-N 2 1 313.489 3.251 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237393913 1100107285 /nfs/dbraw/zinc/10/72/85/1100107285.db2.gz UEXPEFLAIDPRPO-MJGOQNOKSA-N 2 1 313.489 3.251 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237414615 1100117324 /nfs/dbraw/zinc/11/73/24/1100117324.db2.gz MPRYRABTTZRKNL-ZWKOTPCHSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237414615 1100117330 /nfs/dbraw/zinc/11/73/30/1100117330.db2.gz MPRYRABTTZRKNL-ZWKOTPCHSA-N 2 1 302.462 3.356 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237417520 1100120370 /nfs/dbraw/zinc/12/03/70/1100120370.db2.gz SOYMWNGFSHWJFG-FXAWDEMLSA-N 2 1 323.440 3.448 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237417520 1100120375 /nfs/dbraw/zinc/12/03/75/1100120375.db2.gz SOYMWNGFSHWJFG-FXAWDEMLSA-N 2 1 323.440 3.448 20 0 DGADMP COc1ccc2sc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237417752 1100121283 /nfs/dbraw/zinc/12/12/83/1100121283.db2.gz UVYQDODRHDUDNX-SUMWQHHRSA-N 2 1 316.470 3.484 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237417752 1100121291 /nfs/dbraw/zinc/12/12/91/1100121291.db2.gz UVYQDODRHDUDNX-SUMWQHHRSA-N 2 1 316.470 3.484 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1OC(C)C ZINC001237722835 1100226969 /nfs/dbraw/zinc/22/69/69/1100226969.db2.gz SIEUWRHITZHIFI-MSOLQXFVSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1OC(C)C ZINC001237722835 1100226978 /nfs/dbraw/zinc/22/69/78/1100226978.db2.gz SIEUWRHITZHIFI-MSOLQXFVSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1OC(C)C ZINC001237722835 1100226983 /nfs/dbraw/zinc/22/69/83/1100226983.db2.gz SIEUWRHITZHIFI-MSOLQXFVSA-N 2 1 302.462 3.166 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC001237725703 1100227735 /nfs/dbraw/zinc/22/77/35/1100227735.db2.gz CJFOXZIBYBECJH-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC001237725703 1100227743 /nfs/dbraw/zinc/22/77/43/1100227743.db2.gz CJFOXZIBYBECJH-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC(C)C ZINC001237725703 1100227748 /nfs/dbraw/zinc/22/77/48/1100227748.db2.gz CJFOXZIBYBECJH-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC(C)C ZINC001237725703 1100227757 /nfs/dbraw/zinc/22/77/57/1100227757.db2.gz CJFOXZIBYBECJH-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001237729353 1100227812 /nfs/dbraw/zinc/22/78/12/1100227812.db2.gz AFFOODDTLKGCKA-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001237729353 1100227820 /nfs/dbraw/zinc/22/78/20/1100227820.db2.gz AFFOODDTLKGCKA-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001237729353 1100227825 /nfs/dbraw/zinc/22/78/25/1100227825.db2.gz AFFOODDTLKGCKA-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(C)C)c(C)c3)C[C@@H]2C1 ZINC001237729353 1100227831 /nfs/dbraw/zinc/22/78/31/1100227831.db2.gz AFFOODDTLKGCKA-HDICACEKSA-N 2 1 302.462 3.166 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c1OCC2 ZINC001237749699 1100237686 /nfs/dbraw/zinc/23/76/86/1100237686.db2.gz SLATZTXCWUYRMI-RBUKOAKNSA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCC2 ZINC001237749699 1100237692 /nfs/dbraw/zinc/23/76/92/1100237692.db2.gz SLATZTXCWUYRMI-RBUKOAKNSA-N 2 1 314.473 3.460 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2c1OCC2 ZINC001237749699 1100237703 /nfs/dbraw/zinc/23/77/03/1100237703.db2.gz SLATZTXCWUYRMI-RBUKOAKNSA-N 2 1 314.473 3.460 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](O)CC3)cc21 ZINC001237880156 1100277409 /nfs/dbraw/zinc/27/74/09/1100277409.db2.gz DDQGICXODRTLBZ-QGZVFWFLSA-N 2 1 300.446 3.035 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCC(=O)[C@H](C)C3)cc21 ZINC001237880148 1100278510 /nfs/dbraw/zinc/27/85/10/1100278510.db2.gz DBPZOPORIVVTGR-OAHLLOKOSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC(=O)[C@H](C)C3)cc21 ZINC001237880148 1100278520 /nfs/dbraw/zinc/27/85/20/1100278520.db2.gz DBPZOPORIVVTGR-OAHLLOKOSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOC[C@H](C)C3)cc21 ZINC001237880654 1100280986 /nfs/dbraw/zinc/28/09/86/1100280986.db2.gz HYHWKEWJNHSVPX-OAHLLOKOSA-N 2 1 300.446 3.156 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237890193 1100284847 /nfs/dbraw/zinc/28/48/47/1100284847.db2.gz VFMIMWXUSDYNSU-UHFFFAOYSA-N 3 1 315.505 3.461 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237890193 1100284850 /nfs/dbraw/zinc/28/48/50/1100284850.db2.gz VFMIMWXUSDYNSU-UHFFFAOYSA-N 3 1 315.505 3.461 20 0 DGADMP C[NH+](C)C1CC[NH+](Cc2ccccc2C2CCOCC2)CC1 ZINC001237895481 1100286179 /nfs/dbraw/zinc/28/61/79/1100286179.db2.gz DKCBIDNBVABMIL-UHFFFAOYSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911770 1100291530 /nfs/dbraw/zinc/29/15/30/1100291530.db2.gz GGSPCBHQAQPVSE-ICSRJNTNSA-N 2 1 314.473 3.107 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c3ccoc3ccc1F)CC2 ZINC001278167215 1100301593 /nfs/dbraw/zinc/30/15/93/1100301593.db2.gz FOWNHJRGRJBPKK-UHFFFAOYSA-N 2 1 302.393 3.490 20 0 DGADMP Oc1ccc(CC[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001278167894 1100303360 /nfs/dbraw/zinc/30/33/60/1100303360.db2.gz ODPPCYWZEGANHP-UHFFFAOYSA-N 2 1 314.473 3.275 20 0 DGADMP Oc1ccc(CC[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001278167894 1100303368 /nfs/dbraw/zinc/30/33/68/1100303368.db2.gz ODPPCYWZEGANHP-UHFFFAOYSA-N 2 1 314.473 3.275 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001205545592 1100364992 /nfs/dbraw/zinc/36/49/92/1100364992.db2.gz JSZHLUOPENSEIG-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1C ZINC001238175822 1100380256 /nfs/dbraw/zinc/38/02/56/1100380256.db2.gz JVQNVVPYQIHKBL-QGZVFWFLSA-N 2 1 317.477 3.157 20 0 DGADMP Cc1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001238561896 1100473053 /nfs/dbraw/zinc/47/30/53/1100473053.db2.gz YGFMXNPHFLZJQV-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(C)cc3OC)C[C@@H]2C1 ZINC001238769115 1100524646 /nfs/dbraw/zinc/52/46/46/1100524646.db2.gz IBQBCHQTEMLVRA-ROUUACIJSA-N 2 1 302.462 3.086 20 0 DGADMP Fc1c(Cl)cccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001238956803 1100562808 /nfs/dbraw/zinc/56/28/08/1100562808.db2.gz DZSNOMLNLYNRLS-UHFFFAOYSA-N 2 1 301.752 3.481 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205605114 1100658766 /nfs/dbraw/zinc/65/87/66/1100658766.db2.gz ZDXCKFNAVWULKV-GXTWGEPZSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cnc2Cl)CC[C@H]1C[NH3+] ZINC001205615719 1100674780 /nfs/dbraw/zinc/67/47/80/1100674780.db2.gz ABIDEOLLVXDGOL-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1F ZINC001278298801 1100686200 /nfs/dbraw/zinc/68/62/00/1100686200.db2.gz IWDRFOQXNSNPNW-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1F ZINC001278298801 1100686205 /nfs/dbraw/zinc/68/62/05/1100686205.db2.gz IWDRFOQXNSNPNW-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1F ZINC001278298801 1100686206 /nfs/dbraw/zinc/68/62/06/1100686206.db2.gz IWDRFOQXNSNPNW-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP COc1ccc(C(C)C)cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239659491 1100717217 /nfs/dbraw/zinc/71/72/17/1100717217.db2.gz IQBYNLQZBANTQE-UHFFFAOYSA-N 2 1 311.429 3.290 20 0 DGADMP C[C@H]([NH3+])c1cccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC001240408440 1100982341 /nfs/dbraw/zinc/98/23/41/1100982341.db2.gz JPNHBQFVNGTOCN-INIZCTEOSA-N 2 1 309.457 3.121 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3ccc4c(c3)[C@H]([NH3+])CC4)cc2)CC1 ZINC001240415374 1100986034 /nfs/dbraw/zinc/98/60/34/1100986034.db2.gz QPGCLPGTCATCCW-OAQYLSRUSA-N 2 1 321.468 3.047 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc4ncccc43)cn12 ZINC001240938013 1101187882 /nfs/dbraw/zinc/18/78/82/1101187882.db2.gz MLXMVNDHNGESQH-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP CC[C@H](OCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001196790470 1101387794 /nfs/dbraw/zinc/38/77/94/1101387794.db2.gz UNACXXGZSFQVKB-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC001196790470 1101387807 /nfs/dbraw/zinc/38/78/07/1101387807.db2.gz UNACXXGZSFQVKB-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@H](OCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC001196790470 1101387821 /nfs/dbraw/zinc/38/78/21/1101387821.db2.gz UNACXXGZSFQVKB-QYZOEREBSA-N 2 1 302.462 3.038 20 0 DGADMP [NH3+][C@H]1CCc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc21 ZINC001241818765 1101726803 /nfs/dbraw/zinc/72/68/03/1101726803.db2.gz BANQEHKXZUEZEL-FQEVSTJZSA-N 2 1 308.425 3.132 20 0 DGADMP Cn1cnc2cc(C[NH2+]CCC[N@H+](C)C3CCCCC3)ccc21 ZINC001198918169 1102026705 /nfs/dbraw/zinc/02/67/05/1102026705.db2.gz HYTVSQBSXZIOHU-UHFFFAOYSA-N 2 1 314.477 3.318 20 0 DGADMP Cn1cnc2cc(C[NH2+]CCC[N@@H+](C)C3CCCCC3)ccc21 ZINC001198918169 1102026718 /nfs/dbraw/zinc/02/67/18/1102026718.db2.gz HYTVSQBSXZIOHU-UHFFFAOYSA-N 2 1 314.477 3.318 20 0 DGADMP CC(C)C[NH+]1CCC(NCc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001199143975 1102067684 /nfs/dbraw/zinc/06/76/84/1102067684.db2.gz LVYXKJGFFPLIBP-UHFFFAOYSA-N 2 1 312.461 3.287 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2nsnc21 ZINC001199336176 1102118148 /nfs/dbraw/zinc/11/81/48/1102118148.db2.gz IMRRZDQPJJQJIZ-AWEZNQCLSA-N 2 1 318.490 3.436 20 0 DGADMP c1csc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001199414426 1102136637 /nfs/dbraw/zinc/13/66/37/1102136637.db2.gz YWMLEULGYNJMIZ-UHFFFAOYSA-N 2 1 316.474 3.102 20 0 DGADMP Fc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1Cl ZINC001242573621 1102219072 /nfs/dbraw/zinc/21/90/72/1102219072.db2.gz MLVBYVYONVNZPH-UHFFFAOYSA-N 2 1 301.752 3.481 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCc1cccc(Br)c1 ZINC001205901174 1102399967 /nfs/dbraw/zinc/39/99/67/1102399967.db2.gz BPXUSUWEPIDQKH-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1cccc(Br)c1 ZINC001205901174 1102399979 /nfs/dbraw/zinc/39/99/79/1102399979.db2.gz BPXUSUWEPIDQKH-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Br ZINC001205916637 1102578507 /nfs/dbraw/zinc/57/85/07/1102578507.db2.gz VEEXXUWLXDMORC-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Br ZINC001205916637 1102578516 /nfs/dbraw/zinc/57/85/16/1102578516.db2.gz VEEXXUWLXDMORC-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201470082 1102602233 /nfs/dbraw/zinc/60/22/33/1102602233.db2.gz AMYFLHPQSWMUHQ-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001201543306 1102632175 /nfs/dbraw/zinc/63/21/75/1102632175.db2.gz PDFPORWJWUGDLR-KRWDZBQOSA-N 2 1 320.477 3.383 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001201543306 1102632180 /nfs/dbraw/zinc/63/21/80/1102632180.db2.gz PDFPORWJWUGDLR-KRWDZBQOSA-N 2 1 320.477 3.383 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201543649 1102632283 /nfs/dbraw/zinc/63/22/83/1102632283.db2.gz JBKUCEPNWYRATP-ARFHVFGLSA-N 2 1 307.507 3.476 20 0 DGADMP CCC(CC)C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201525099 1102643084 /nfs/dbraw/zinc/64/30/84/1102643084.db2.gz AGDZDOJAHQUHLC-MOPGFXCFSA-N 2 1 301.478 3.272 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201526248 1102645618 /nfs/dbraw/zinc/64/56/18/1102645618.db2.gz UWLWQWBFPBVYCV-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001201641298 1102682982 /nfs/dbraw/zinc/68/29/82/1102682982.db2.gz KECXQTQSSBGMGL-UHFFFAOYSA-N 2 1 302.462 3.072 20 0 DGADMP CCCC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201709808 1102696079 /nfs/dbraw/zinc/69/60/79/1102696079.db2.gz FEMZXHIANFWDKS-KRWDZBQOSA-N 2 1 323.431 3.415 20 0 DGADMP CCCC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201709808 1102696083 /nfs/dbraw/zinc/69/60/83/1102696083.db2.gz FEMZXHIANFWDKS-KRWDZBQOSA-N 2 1 323.431 3.415 20 0 DGADMP CCCC[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201709808 1102696086 /nfs/dbraw/zinc/69/60/86/1102696086.db2.gz FEMZXHIANFWDKS-KRWDZBQOSA-N 2 1 323.431 3.415 20 0 DGADMP CCCC[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201709808 1102696088 /nfs/dbraw/zinc/69/60/88/1102696088.db2.gz FEMZXHIANFWDKS-KRWDZBQOSA-N 2 1 323.431 3.415 20 0 DGADMP C/C=C/C[C@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001202100734 1102830766 /nfs/dbraw/zinc/83/07/66/1102830766.db2.gz AMFJEKCAKCYPCI-DUMMIQTOSA-N 2 1 304.478 3.061 20 0 DGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001202077552 1102837243 /nfs/dbraw/zinc/83/72/43/1102837243.db2.gz IZPPLQVZVXHKDL-CABCVRRESA-N 2 1 307.507 3.476 20 0 DGADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](CC4CCCC4)CC3)C2)co1 ZINC001202140206 1102854816 /nfs/dbraw/zinc/85/48/16/1102854816.db2.gz WYYKMEWHAHSXLW-UHFFFAOYSA-N 2 1 318.461 3.137 20 0 DGADMP c1cc(C[N@H+]2CCOC3(CC[NH+](CC4CCCC4)CC3)C2)co1 ZINC001202140206 1102854831 /nfs/dbraw/zinc/85/48/31/1102854831.db2.gz WYYKMEWHAHSXLW-UHFFFAOYSA-N 2 1 318.461 3.137 20 0 DGADMP C[N@H+]1CC[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)CC1(C)C ZINC001202143430 1102855153 /nfs/dbraw/zinc/85/51/53/1102855153.db2.gz YZCUQMALUMGJGC-SFHVURJKSA-N 2 1 321.553 3.495 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cccc(-c3cccc4nc[nH]c43)c2)CC1 ZINC001243936356 1103066545 /nfs/dbraw/zinc/06/65/45/1103066545.db2.gz PXXQQDDHBDQZME-UHFFFAOYSA-N 2 1 320.440 3.401 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC ZINC001111268877 1103150081 /nfs/dbraw/zinc/15/00/81/1103150081.db2.gz GJHRVXUUEFARGP-KURKYZTESA-N 2 1 323.525 3.020 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1F ZINC001327039303 1103504033 /nfs/dbraw/zinc/50/40/33/1103504033.db2.gz OFKWMLNVRHVTEW-INIZCTEOSA-N 2 1 306.425 3.046 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001276333095 1103506332 /nfs/dbraw/zinc/50/63/32/1103506332.db2.gz DMJBFBWQKOXLIQ-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001327145283 1103549303 /nfs/dbraw/zinc/54/93/03/1103549303.db2.gz DOOLCELVXICFOI-VTFYZGIISA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001327145281 1103549385 /nfs/dbraw/zinc/54/93/85/1103549385.db2.gz DOOLCELVXICFOI-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)[C@H]2CCC[C@H]21 ZINC001327891860 1103756547 /nfs/dbraw/zinc/75/65/47/1103756547.db2.gz PFULLXAQFMLEQD-XOKHGSTOSA-N 2 1 310.844 3.484 20 0 DGADMP FC1(F)[C@@H]2C[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC001328077873 1103834617 /nfs/dbraw/zinc/83/46/17/1103834617.db2.gz AKBYWXSWKSHGLN-NNZMDNLPSA-N 2 1 320.427 3.327 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@@H]2CCOC2)C3)cc1 ZINC001202529756 1103923456 /nfs/dbraw/zinc/92/34/56/1103923456.db2.gz LKBIIJCFCPATQF-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCOC2)C3)cc1 ZINC001202529756 1103923463 /nfs/dbraw/zinc/92/34/63/1103923463.db2.gz LKBIIJCFCPATQF-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCOC2)C3)cc1 ZINC001202529756 1103923467 /nfs/dbraw/zinc/92/34/67/1103923467.db2.gz LKBIIJCFCPATQF-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1(C)C ZINC001328790772 1104073108 /nfs/dbraw/zinc/07/31/08/1104073108.db2.gz AMKJVSPCQOJYKF-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC001328790772 1104073117 /nfs/dbraw/zinc/07/31/17/1104073117.db2.gz AMKJVSPCQOJYKF-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC001328790772 1104073128 /nfs/dbraw/zinc/07/31/28/1104073128.db2.gz AMKJVSPCQOJYKF-UHFFFAOYSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1c(Cl)cccc1N(C)C)CC[NH2+]CC2 ZINC001329093855 1104151738 /nfs/dbraw/zinc/15/17/38/1104151738.db2.gz LLGNWSUYCPITRD-AWEZNQCLSA-N 2 1 321.896 3.370 20 0 DGADMP CCCC1CCC(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001649170659 1104162850 /nfs/dbraw/zinc/16/28/50/1104162850.db2.gz AHLFYEYZPJKQEA-UHFFFAOYSA-N 2 1 323.569 3.456 20 0 DGADMP CCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001329241331 1104198383 /nfs/dbraw/zinc/19/83/83/1104198383.db2.gz XWVYVBGAVIIJMW-ABHNRTSZSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)C[C@]1(O)CCC[NH2+]C1 ZINC001246034189 1104357589 /nfs/dbraw/zinc/35/75/89/1104357589.db2.gz JPSJLOILGGRNPL-RXVVDRJESA-N 2 1 324.468 3.364 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065175 1104363487 /nfs/dbraw/zinc/36/34/87/1104363487.db2.gz HJPIZRSNGFLNHZ-GUDVDZBRSA-N 2 1 322.468 3.449 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001329674346 1104364079 /nfs/dbraw/zinc/36/40/79/1104364079.db2.gz BWCAXTJKBPQNFO-OAHLLOKOSA-N 2 1 300.450 3.261 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067229 1104364282 /nfs/dbraw/zinc/36/42/82/1104364282.db2.gz OBMITVJPVXCSEZ-FHWLQOOXSA-N 2 1 304.478 3.310 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC001246075719 1104368700 /nfs/dbraw/zinc/36/87/00/1104368700.db2.gz KRRRPHNVNUJSLP-NEPJUHHUSA-N 2 1 315.230 3.208 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(Br)cc2F)C[C@H](C)[NH2+]1 ZINC001246077940 1104372736 /nfs/dbraw/zinc/37/27/36/1104372736.db2.gz YHTBCXUHIMWFOC-UWVGGRQHSA-N 2 1 315.230 3.207 20 0 DGADMP CC[C@@H]1CC([NH2+][C@@H](CC(=O)OC)c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246082026 1104375655 /nfs/dbraw/zinc/37/56/55/1104375655.db2.gz UXMSFQOHRCIFLI-NUJGCVRESA-N 2 1 318.461 3.190 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246094160 1104383282 /nfs/dbraw/zinc/38/32/82/1104383282.db2.gz ZSBYLYBRGSGKNL-GXTWGEPZSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246097807 1104385297 /nfs/dbraw/zinc/38/52/97/1104385297.db2.gz OPPSDIIFAUHQJW-ZXIHIIQKSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113840 1104392787 /nfs/dbraw/zinc/39/27/87/1104392787.db2.gz OBHDYDDIVNNERR-LRDDRELGSA-N 2 1 316.823 3.482 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH2+]C1 ZINC001246114553 1104392842 /nfs/dbraw/zinc/39/28/42/1104392842.db2.gz PXXTVAVQQBGEPI-PIKOESSRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H](C)[NH2+]1 ZINC001246113022 1104393338 /nfs/dbraw/zinc/39/33/38/1104393338.db2.gz HKNNMRWYQWIAIW-KBPBESRZSA-N 2 1 318.461 3.261 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246116427 1104393974 /nfs/dbraw/zinc/39/39/74/1104393974.db2.gz FETIUFKVZIRODO-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)n2C)C[C@H](CC)[NH2+]1 ZINC001246121929 1104395704 /nfs/dbraw/zinc/39/57/04/1104395704.db2.gz VTGKJSPTTMATLF-CLLJXQQHSA-N 2 1 317.399 3.443 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)n2C)C[C@H](CC)[NH2+]1 ZINC001246121930 1104396079 /nfs/dbraw/zinc/39/60/79/1104396079.db2.gz VTGKJSPTTMATLF-ITGUQSILSA-N 2 1 317.399 3.443 20 0 DGADMP CCOC(=O)C[C@]1([NH2+][C@H]2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC001246128377 1104398591 /nfs/dbraw/zinc/39/85/91/1104398591.db2.gz SMZBNQQTIFMJFG-QFBILLFUSA-N 2 1 322.493 3.154 20 0 DGADMP CCCCCC[C@@H](CCC)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246130147 1104400495 /nfs/dbraw/zinc/40/04/95/1104400495.db2.gz YDYTYOSFIMEJBZ-AEFFLSMTSA-N 2 1 312.498 3.400 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246145333 1104404770 /nfs/dbraw/zinc/40/47/70/1104404770.db2.gz MEKLFTWFLIDWDB-ZUZCIYMTSA-N 2 1 320.786 3.231 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163282 1104413766 /nfs/dbraw/zinc/41/37/66/1104413766.db2.gz HRQBXSDQTKTDHD-SJLPKXTDSA-N 3 1 307.457 3.036 20 0 DGADMP CC[C@@H]1C[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169976 1104416923 /nfs/dbraw/zinc/41/69/23/1104416923.db2.gz KFYZBXDLMLUPSE-QZKQXFQVSA-N 2 1 309.542 3.253 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169976 1104416929 /nfs/dbraw/zinc/41/69/29/1104416929.db2.gz KFYZBXDLMLUPSE-QZKQXFQVSA-N 3 1 309.542 3.253 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169976 1104416936 /nfs/dbraw/zinc/41/69/36/1104416936.db2.gz KFYZBXDLMLUPSE-QZKQXFQVSA-N 3 1 309.542 3.253 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169970 1104417044 /nfs/dbraw/zinc/41/70/44/1104417044.db2.gz KFYZBXDLMLUPSE-IEWDOMPSSA-N 3 1 309.542 3.253 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246169692 1104417179 /nfs/dbraw/zinc/41/71/79/1104417179.db2.gz JDTDTHIGGDXIOA-IEBWSBKVSA-N 2 1 321.484 3.249 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246171963 1104418989 /nfs/dbraw/zinc/41/89/89/1104418989.db2.gz XWPOJEIWEHLLSW-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246182211 1104425897 /nfs/dbraw/zinc/42/58/97/1104425897.db2.gz YWIJONYOMVCFNZ-GXTWGEPZSA-N 2 1 316.367 3.248 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246182900 1104426112 /nfs/dbraw/zinc/42/61/12/1104426112.db2.gz BBLFTGGNDODHCE-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP C[N@@H+](CCN[C@H]1CC[NH2+]C2(CCCCC2)C1)Cc1ccccc1 ZINC001246194929 1104432662 /nfs/dbraw/zinc/43/26/62/1104432662.db2.gz JYUKXXDMQSEKOC-IBGZPJMESA-N 2 1 315.505 3.163 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C[C@@H]1C ZINC001246200986 1104436049 /nfs/dbraw/zinc/43/60/49/1104436049.db2.gz GEQSFCAIGHYWCJ-UGUYLWEFSA-N 2 1 312.498 3.240 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001246207038 1104437201 /nfs/dbraw/zinc/43/72/01/1104437201.db2.gz MPXKYKQKQCMRLX-ZNMIVQPWSA-N 2 1 312.498 3.240 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246204724 1104437623 /nfs/dbraw/zinc/43/76/23/1104437623.db2.gz ZBGWHNCQVQKDLK-LKCYJCQHSA-N 3 1 319.468 3.034 20 0 DGADMP Cc1cccc2c1CC[C@H]([NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F)C2 ZINC001246219280 1104442045 /nfs/dbraw/zinc/44/20/45/1104442045.db2.gz GUQKRGQTYAYRDD-DOTOQJQBSA-N 2 1 308.416 3.077 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246220043 1104443418 /nfs/dbraw/zinc/44/34/18/1104443418.db2.gz IXLQPTUSQBQBHO-FOSCPWQOSA-N 2 1 314.351 3.087 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246222495 1104444549 /nfs/dbraw/zinc/44/45/49/1104444549.db2.gz RQLKOVXRCRHADM-GHMZBOCLSA-N 2 1 316.367 3.333 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246227203 1104448000 /nfs/dbraw/zinc/44/80/00/1104448000.db2.gz GOPDPRNCIFQWRM-OLZOCXBDSA-N 2 1 314.807 3.032 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246231068 1104449410 /nfs/dbraw/zinc/44/94/10/1104449410.db2.gz NYLIHKLEHJXBHG-WCQYABFASA-N 2 1 302.796 3.105 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2C(F)(F)F)CC[NH2+]1 ZINC001246236355 1104450587 /nfs/dbraw/zinc/45/05/87/1104450587.db2.gz RLLXRIBNPGGXQO-OLZOCXBDSA-N 2 1 316.367 3.334 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)cc1C(F)(F)F ZINC001246237012 1104452072 /nfs/dbraw/zinc/45/20/72/1104452072.db2.gz WASJDIWYGJFWFQ-QWRGUYRKSA-N 2 1 316.367 3.333 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246259759 1104461775 /nfs/dbraw/zinc/46/17/75/1104461775.db2.gz PWEYQUIINNIVJF-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP COc1cc(F)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246264587 1104465757 /nfs/dbraw/zinc/46/57/57/1104465757.db2.gz NCVCRNKFANPCOK-INIZCTEOSA-N 2 1 306.425 3.379 20 0 DGADMP C[C@@H]1CC([NH2+]CC[C@H]2CCC[NH2+]2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246274951 1104468850 /nfs/dbraw/zinc/46/88/50/1104468850.db2.gz XITXBNTVHXTKOG-ZHALLVOQSA-N 3 1 315.505 3.160 20 0 DGADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246274560 1104469299 /nfs/dbraw/zinc/46/92/99/1104469299.db2.gz XLSBPVVZNMTWAK-OAHLLOKOSA-N 2 1 300.446 3.369 20 0 DGADMP [NH3+]C1(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001246280068 1104471979 /nfs/dbraw/zinc/47/19/79/1104471979.db2.gz QREZXFOOTSYISE-IBGZPJMESA-N 2 1 315.505 3.292 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1(C)C ZINC001246291948 1104475216 /nfs/dbraw/zinc/47/52/16/1104475216.db2.gz VPALIJGYTIPNRH-ZBFHGGJFSA-N 3 1 309.542 3.394 20 0 DGADMP CCC[C@H]([NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246294131 1104477419 /nfs/dbraw/zinc/47/74/19/1104477419.db2.gz LXYIADZSWGFFSI-MPGHIAIKSA-N 2 1 310.482 3.009 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246323303 1104489505 /nfs/dbraw/zinc/48/95/05/1104489505.db2.gz AGGITDRMOXLVHA-ZOWXZIJZSA-N 2 1 316.367 3.104 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246328214 1104493005 /nfs/dbraw/zinc/49/30/05/1104493005.db2.gz VVGFMMZHNYIWSX-DYVFJYSZSA-N 2 1 307.869 3.039 20 0 DGADMP CC1(C)CC[NH2+]C[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246330934 1104494203 /nfs/dbraw/zinc/49/42/03/1104494203.db2.gz MIHQDKZUOAMXKM-OALUTQOASA-N 2 1 315.505 3.019 20 0 DGADMP CCOC(=O)c1csc(C[NH2+]C2C[C@H](CC)[NH2+][C@@H](CC)C2)c1 ZINC001246343979 1104498711 /nfs/dbraw/zinc/49/87/11/1104498711.db2.gz FEMUPOJFUHULGY-KBPBESRZSA-N 2 1 324.490 3.324 20 0 DGADMP CCOC(=O)C1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCCCC1 ZINC001246344027 1104498742 /nfs/dbraw/zinc/49/87/42/1104498742.db2.gz ACXYYVQFCJALFE-UHFFFAOYSA-N 2 1 322.493 3.154 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001246345722 1104500176 /nfs/dbraw/zinc/50/01/76/1104500176.db2.gz HEECVQXCCDEJDG-YRGRVCCFSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246345722 1104500183 /nfs/dbraw/zinc/50/01/83/1104500183.db2.gz HEECVQXCCDEJDG-YRGRVCCFSA-N 2 1 311.267 3.110 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(C(=O)OCC)cs2)CC[NH2+]1 ZINC001246344811 1104500504 /nfs/dbraw/zinc/50/05/04/1104500504.db2.gz IDCFNWJGPKEWDH-GJZGRUSLSA-N 2 1 324.490 3.325 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCc4ccccc4N3)CC[NH2+]2)cc1 ZINC001246345239 1104500872 /nfs/dbraw/zinc/50/08/72/1104500872.db2.gz DICIFFDMAYNARB-ZVDOUQERSA-N 2 1 321.468 3.496 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c(F)c1 ZINC001246348217 1104501852 /nfs/dbraw/zinc/50/18/52/1104501852.db2.gz LIUKXYDAXBKSQI-OAHLLOKOSA-N 2 1 306.425 3.379 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246354656 1104506031 /nfs/dbraw/zinc/50/60/31/1104506031.db2.gz YCHDJGPBXCVWEB-TTYHFUOFSA-N 2 1 310.441 3.191 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246358077 1104506300 /nfs/dbraw/zinc/50/63/00/1104506300.db2.gz YWIYDZGJXWIBRO-ACRUOGEOSA-N 2 1 324.468 3.327 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)CCC1 ZINC001246361376 1104508701 /nfs/dbraw/zinc/50/87/01/1104508701.db2.gz KVJLLGJPYTZFOA-DOTOQJQBSA-N 2 1 302.462 3.441 20 0 DGADMP COc1ccc(C2([NH2+][C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246363456 1104509147 /nfs/dbraw/zinc/50/91/47/1104509147.db2.gz SJLPWCQYXMILDA-DOTOQJQBSA-N 2 1 302.462 3.441 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246364709 1104509338 /nfs/dbraw/zinc/50/93/38/1104509338.db2.gz UNXKKISUAULMLL-CMKODMSKSA-N 2 1 315.505 3.332 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246374075 1104512874 /nfs/dbraw/zinc/51/28/74/1104512874.db2.gz FFYFNQPGYXTMHB-LSDHHAIUSA-N 2 1 322.880 3.466 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CN1 ZINC001246387537 1104520362 /nfs/dbraw/zinc/52/03/62/1104520362.db2.gz GUFGIFRBQYHEOR-YOEHRIQHSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246387537 1104520373 /nfs/dbraw/zinc/52/03/73/1104520373.db2.gz GUFGIFRBQYHEOR-YOEHRIQHSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246392865 1104522854 /nfs/dbraw/zinc/52/28/54/1104522854.db2.gz OQDLGQNCQFUVSX-RISCZKNCSA-N 2 1 300.368 3.367 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246401981 1104527781 /nfs/dbraw/zinc/52/77/81/1104527781.db2.gz RDUUOXQEKWHMAJ-ROUUACIJSA-N 2 1 320.477 3.252 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407961 1104530587 /nfs/dbraw/zinc/53/05/87/1104530587.db2.gz WGEKGANDPZALSU-DSLXNQLJSA-N 3 1 307.526 3.279 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246407963 1104530901 /nfs/dbraw/zinc/53/09/01/1104530901.db2.gz WGEKGANDPZALSU-NXWXRZEISA-N 3 1 307.526 3.279 20 0 DGADMP CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246434552 1104538869 /nfs/dbraw/zinc/53/88/69/1104538869.db2.gz MQSQHXNDOLYURH-CQSZACIVSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444636 1104542820 /nfs/dbraw/zinc/54/28/20/1104542820.db2.gz YMHBJALHJKYGSB-AXUOBQJMSA-N 2 1 319.468 3.038 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246448177 1104543687 /nfs/dbraw/zinc/54/36/87/1104543687.db2.gz RRVSZZDSTRFJSP-LEAZDLGRSA-N 3 1 315.505 3.207 20 0 DGADMP COCOCCC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274935664 1104547588 /nfs/dbraw/zinc/54/75/88/1104547588.db2.gz ZGBHVYBOQVUPKU-LJQANCHMSA-N 2 1 324.509 3.118 20 0 DGADMP COCOCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001274935664 1104547593 /nfs/dbraw/zinc/54/75/93/1104547593.db2.gz ZGBHVYBOQVUPKU-LJQANCHMSA-N 2 1 324.509 3.118 20 0 DGADMP COCOCCC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001274935664 1104547600 /nfs/dbraw/zinc/54/76/00/1104547600.db2.gz ZGBHVYBOQVUPKU-LJQANCHMSA-N 2 1 324.509 3.118 20 0 DGADMP Clc1cccc2c1C[C@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)C2 ZINC001246462429 1104550256 /nfs/dbraw/zinc/55/02/56/1104550256.db2.gz RWDLGUUHKPZMOV-CRAIPNDOSA-N 2 1 304.865 3.319 20 0 DGADMP CCOC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001274942103 1104550364 /nfs/dbraw/zinc/55/03/64/1104550364.db2.gz COWSLLWYGLKZQX-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001274942103 1104550373 /nfs/dbraw/zinc/55/03/73/1104550373.db2.gz COWSLLWYGLKZQX-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001274942103 1104550382 /nfs/dbraw/zinc/55/03/82/1104550382.db2.gz COWSLLWYGLKZQX-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCc2ccncc2)c1 ZINC001274972925 1104562485 /nfs/dbraw/zinc/56/24/85/1104562485.db2.gz ALTNIKWTAKIOBQ-IHWFROFDSA-N 2 1 324.472 3.128 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246503845 1104568513 /nfs/dbraw/zinc/56/85/13/1104568513.db2.gz MXLSQZMVXOWATI-GJZGRUSLSA-N 2 1 300.487 3.240 20 0 DGADMP COc1c(F)cccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001274997357 1104570948 /nfs/dbraw/zinc/57/09/48/1104570948.db2.gz UGDCVNOSYVBWCB-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP C1CCC2(CC1)C[C@H]([NH2+][C@H]1CC[NH2+]C3(CCCCC3)C1)CC[NH2+]2 ZINC001246514206 1104571844 /nfs/dbraw/zinc/57/18/44/1104571844.db2.gz PLPCJNVWOWFGMU-HDICACEKSA-N 3 1 319.537 3.486 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246520820 1104576269 /nfs/dbraw/zinc/57/62/69/1104576269.db2.gz KOMJARSHJHWTAI-REPLKXPHSA-N 2 1 313.489 3.099 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246522576 1104577578 /nfs/dbraw/zinc/57/75/78/1104577578.db2.gz APRCVUBINFOFQA-OPVJXMOQSA-N 2 1 315.505 3.426 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1C ZINC001246523153 1104578533 /nfs/dbraw/zinc/57/85/33/1104578533.db2.gz WVOBPSFFRWECHT-RUYXUALKSA-N 2 1 313.489 3.099 20 0 DGADMP C[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001246535094 1104581010 /nfs/dbraw/zinc/58/10/10/1104581010.db2.gz VRBATFAPDXYGHW-ZIFCJYIRSA-N 2 1 315.505 3.112 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246535589 1104581769 /nfs/dbraw/zinc/58/17/69/1104581769.db2.gz IZXNHUVSXKLDMR-NVXWUHKLSA-N 2 1 304.478 3.479 20 0 DGADMP CCOc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1F ZINC001275022193 1104581835 /nfs/dbraw/zinc/58/18/35/1104581835.db2.gz BISVHKHRYDPEHK-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1F ZINC001275022193 1104581840 /nfs/dbraw/zinc/58/18/40/1104581840.db2.gz BISVHKHRYDPEHK-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1F ZINC001275022193 1104581847 /nfs/dbraw/zinc/58/18/47/1104581847.db2.gz BISVHKHRYDPEHK-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537497 1104583456 /nfs/dbraw/zinc/58/34/56/1104583456.db2.gz CSDSQNZECSEBKG-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537497 1104583465 /nfs/dbraw/zinc/58/34/65/1104583465.db2.gz CSDSQNZECSEBKG-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540027 1104583730 /nfs/dbraw/zinc/58/37/30/1104583730.db2.gz JLAPQLRTBIPYSL-QJPTWQEYSA-N 2 1 316.823 3.466 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246539470 1104583998 /nfs/dbraw/zinc/58/39/98/1104583998.db2.gz PTRMUBUVNLYXGU-ROUUACIJSA-N 2 1 319.468 3.114 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545700 1104588757 /nfs/dbraw/zinc/58/87/57/1104588757.db2.gz HXHKVNOUIUBEEK-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545700 1104588760 /nfs/dbraw/zinc/58/87/60/1104588760.db2.gz HXHKVNOUIUBEEK-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548937 1104589011 /nfs/dbraw/zinc/58/90/11/1104589011.db2.gz LDSOWVNNRZZYIQ-CJNGLKHVSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1C[NH3+] ZINC001246550144 1104589680 /nfs/dbraw/zinc/58/96/80/1104589680.db2.gz IWDLYSLWVVUPAA-GJZGRUSLSA-N 2 1 321.896 3.226 20 0 DGADMP C[C@@H]1C[C@H](N2CCC[C@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549296 1104590791 /nfs/dbraw/zinc/59/07/91/1104590791.db2.gz ICRWTIOOWFTSJY-RLLQIKCJSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549296 1104590798 /nfs/dbraw/zinc/59/07/98/1104590798.db2.gz ICRWTIOOWFTSJY-RLLQIKCJSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549296 1104590805 /nfs/dbraw/zinc/59/08/05/1104590805.db2.gz ICRWTIOOWFTSJY-RLLQIKCJSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001246555428 1104592153 /nfs/dbraw/zinc/59/21/53/1104592153.db2.gz FCQUAOGNMVUCHB-QXCFHYIPSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246553570 1104592670 /nfs/dbraw/zinc/59/26/70/1104592670.db2.gz BKTPZLBUFOAPGA-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001275051077 1104594288 /nfs/dbraw/zinc/59/42/88/1104594288.db2.gz MLJUPXZFSFACJS-UHFFFAOYSA-N 2 1 307.507 3.395 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246559881 1104595140 /nfs/dbraw/zinc/59/51/40/1104595140.db2.gz FOPRFPSZGKVFCR-TYNCELHUSA-N 2 1 300.368 3.306 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246559881 1104595143 /nfs/dbraw/zinc/59/51/43/1104595143.db2.gz FOPRFPSZGKVFCR-TYNCELHUSA-N 2 1 300.368 3.306 20 0 DGADMP F[C@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246562126 1104595472 /nfs/dbraw/zinc/59/54/72/1104595472.db2.gz YALWGNDLNSSVLL-SLTAFYQDSA-N 2 1 304.400 3.368 20 0 DGADMP F[C@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246562126 1104595477 /nfs/dbraw/zinc/59/54/77/1104595477.db2.gz YALWGNDLNSSVLL-SLTAFYQDSA-N 2 1 304.400 3.368 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001246557667 1104596022 /nfs/dbraw/zinc/59/60/22/1104596022.db2.gz NDGBTTAFIVGHES-HNBVOPMISA-N 2 1 315.505 3.099 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561227 1104596172 /nfs/dbraw/zinc/59/61/72/1104596172.db2.gz FOPRFPSZGKVFCR-XUJVJEKNSA-N 2 1 300.368 3.306 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246561227 1104596180 /nfs/dbraw/zinc/59/61/80/1104596180.db2.gz FOPRFPSZGKVFCR-XUJVJEKNSA-N 2 1 300.368 3.306 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@H](C[NH3+])[C@@H]1C)CC2 ZINC001246564351 1104598122 /nfs/dbraw/zinc/59/81/22/1104598122.db2.gz NBJPLARERCOTDL-BFHYXJOUSA-N 2 1 322.880 3.265 20 0 DGADMP C[C@@H]1C[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CCC[C@H]1C[NH3+] ZINC001246569709 1104599236 /nfs/dbraw/zinc/59/92/36/1104599236.db2.gz SCLCPTZSMSYMIQ-CVEARBPZSA-N 2 1 324.509 3.005 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580980 1104603664 /nfs/dbraw/zinc/60/36/64/1104603664.db2.gz OXUXXLAOZOSTMN-RHSMWYFYSA-N 2 1 310.844 3.350 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580980 1104603668 /nfs/dbraw/zinc/60/36/68/1104603668.db2.gz OXUXXLAOZOSTMN-RHSMWYFYSA-N 2 1 310.844 3.350 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591174 1104610142 /nfs/dbraw/zinc/61/01/42/1104610142.db2.gz MFKQFPXGJPQOSU-RBSFLKMASA-N 2 1 322.415 3.077 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591174 1104610148 /nfs/dbraw/zinc/61/01/48/1104610148.db2.gz MFKQFPXGJPQOSU-RBSFLKMASA-N 2 1 322.415 3.077 20 0 DGADMP F[C@@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CCCC1(F)F ZINC001246591089 1104610659 /nfs/dbraw/zinc/61/06/59/1104610659.db2.gz VQJXGYJDZLQNLI-SHARSMKWSA-N 2 1 304.400 3.368 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246592398 1104610828 /nfs/dbraw/zinc/61/08/28/1104610828.db2.gz AUMAZFMXLGYOGN-RTBURBONSA-N 3 1 321.553 3.399 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCNC[C@H]1c1ccccc1 ZINC001246595638 1104612527 /nfs/dbraw/zinc/61/25/27/1104612527.db2.gz UFPKAIMTXNYOIZ-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001246595638 1104612532 /nfs/dbraw/zinc/61/25/32/1104612532.db2.gz UFPKAIMTXNYOIZ-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001275077142 1104613572 /nfs/dbraw/zinc/61/35/72/1104613572.db2.gz NMWUBQZYBFXXGC-SFHVURJKSA-N 2 1 309.542 3.162 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246595931 1104614220 /nfs/dbraw/zinc/61/42/20/1104614220.db2.gz UHBAISLBXWGFRW-LADRWXRNSA-N 2 1 324.509 3.338 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246598490 1104616736 /nfs/dbraw/zinc/61/67/36/1104616736.db2.gz ALFLPFLWNQRUDC-IBGZPJMESA-N 2 1 316.489 3.098 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246602038 1104617632 /nfs/dbraw/zinc/61/76/32/1104617632.db2.gz BSQUVVTXWWUTDG-SJLPKXTDSA-N 2 1 310.482 3.107 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600353 1104618074 /nfs/dbraw/zinc/61/80/74/1104618074.db2.gz FQDZRCUTBIXDJH-IEBWSBKVSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600901 1104618238 /nfs/dbraw/zinc/61/82/38/1104618238.db2.gz FDJNSVSVMNZPDY-MJGOQNOKSA-N 2 1 301.478 3.258 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246602633 1104618335 /nfs/dbraw/zinc/61/83/35/1104618335.db2.gz HXVOWMDWDYTCII-GUYCJALGSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246602633 1104618341 /nfs/dbraw/zinc/61/83/41/1104618341.db2.gz HXVOWMDWDYTCII-GUYCJALGSA-N 2 1 310.844 3.486 20 0 DGADMP Clc1cccc2c1CC[C@@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)C2 ZINC001246600391 1104618474 /nfs/dbraw/zinc/61/84/74/1104618474.db2.gz DWGQDBBNQAHRLD-CRAIPNDOSA-N 2 1 304.865 3.273 20 0 DGADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246602037 1104618500 /nfs/dbraw/zinc/61/85/00/1104618500.db2.gz BSQUVVTXWWUTDG-FUHWJXTLSA-N 2 1 310.482 3.107 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600895 1104618563 /nfs/dbraw/zinc/61/85/63/1104618563.db2.gz FDJNSVSVMNZPDY-HKUYNNGSSA-N 2 1 301.478 3.258 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246602936 1104620932 /nfs/dbraw/zinc/62/09/32/1104620932.db2.gz FGSVZHXIUVDOPK-APWZRJJASA-N 2 1 320.427 3.430 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246606183 1104621948 /nfs/dbraw/zinc/62/19/48/1104621948.db2.gz MOICVDKCGUPLRT-PXNSSMCTSA-N 2 1 314.473 3.161 20 0 DGADMP C1C[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246609148 1104623687 /nfs/dbraw/zinc/62/36/87/1104623687.db2.gz XMPJODQESBCZMF-MJGOQNOKSA-N 3 1 305.510 3.049 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]CC3)CO2 ZINC001246607946 1104624100 /nfs/dbraw/zinc/62/41/00/1104624100.db2.gz RYDXVVDRLINAEW-WMZOPIPTSA-N 2 1 320.864 3.252 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CO2 ZINC001246607946 1104624103 /nfs/dbraw/zinc/62/41/03/1104624103.db2.gz RYDXVVDRLINAEW-WMZOPIPTSA-N 2 1 320.864 3.252 20 0 DGADMP CC(C)CC[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275101676 1104624924 /nfs/dbraw/zinc/62/49/24/1104624924.db2.gz CQBPZCLIHMKNEO-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246610514 1104625915 /nfs/dbraw/zinc/62/59/15/1104625915.db2.gz BGXUIAOQZCCFDI-FXAWDEMLSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246610514 1104625923 /nfs/dbraw/zinc/62/59/23/1104625923.db2.gz BGXUIAOQZCCFDI-FXAWDEMLSA-N 2 1 314.473 3.161 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246610857 1104626464 /nfs/dbraw/zinc/62/64/64/1104626464.db2.gz OGNXXOUVZAQYRI-LPHOPBHVSA-N 2 1 302.437 3.149 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611423 1104626754 /nfs/dbraw/zinc/62/67/54/1104626754.db2.gz UPTPOUIHMFJEAA-YRPNKDGESA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611423 1104626758 /nfs/dbraw/zinc/62/67/58/1104626758.db2.gz UPTPOUIHMFJEAA-YRPNKDGESA-N 3 1 319.537 3.248 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611423 1104626760 /nfs/dbraw/zinc/62/67/60/1104626760.db2.gz UPTPOUIHMFJEAA-YRPNKDGESA-N 3 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611423 1104626764 /nfs/dbraw/zinc/62/67/64/1104626764.db2.gz UPTPOUIHMFJEAA-YRPNKDGESA-N 2 1 319.537 3.248 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246611423 1104626766 /nfs/dbraw/zinc/62/67/66/1104626766.db2.gz UPTPOUIHMFJEAA-YRPNKDGESA-N 2 1 319.537 3.248 20 0 DGADMP Fc1ccc(N2CCC([N@H+]3CCC[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC001246611973 1104627045 /nfs/dbraw/zinc/62/70/45/1104627045.db2.gz VHVSWDGRXRUWIW-LJQANCHMSA-N 2 1 317.452 3.013 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246613020 1104628664 /nfs/dbraw/zinc/62/86/64/1104628664.db2.gz KFIJFTAQXBRVBW-AWEZNQCLSA-N 2 1 308.491 3.365 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246624412 1104632880 /nfs/dbraw/zinc/63/28/80/1104632880.db2.gz DUXHNIAGLWMNDC-KFWWJZLASA-N 2 1 308.466 3.238 20 0 DGADMP C[C@@H](Cc1ccccc1F)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246626497 1104634832 /nfs/dbraw/zinc/63/48/32/1104634832.db2.gz USPBBJHUIAQOPT-LPHOPBHVSA-N 2 1 324.443 3.446 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246628700 1104634866 /nfs/dbraw/zinc/63/48/66/1104634866.db2.gz CDTILODTUJJOCI-ZWKOTPCHSA-N 2 1 304.865 3.415 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627461 1104634878 /nfs/dbraw/zinc/63/48/78/1104634878.db2.gz JTICEZUOVJXZHG-WMLDXEAASA-N 2 1 308.466 3.382 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246629786 1104635943 /nfs/dbraw/zinc/63/59/43/1104635943.db2.gz GPASUUQDAUVVKQ-QFBILLFUSA-N 2 1 302.437 3.291 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630286 1104636907 /nfs/dbraw/zinc/63/69/07/1104636907.db2.gz ICJBKAYLTPELEO-HSALFYBXSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630286 1104636914 /nfs/dbraw/zinc/63/69/14/1104636914.db2.gz ICJBKAYLTPELEO-HSALFYBXSA-N 2 1 313.489 3.088 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC001246634713 1104638304 /nfs/dbraw/zinc/63/83/04/1104638304.db2.gz HASKGMRMOQDPLV-NVXWUHKLSA-N 2 1 314.473 3.321 20 0 DGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246632644 1104638584 /nfs/dbraw/zinc/63/85/84/1104638584.db2.gz YPZSIQUKDVUPKN-ZGXWSNOMSA-N 2 1 314.473 3.023 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246633201 1104638847 /nfs/dbraw/zinc/63/88/47/1104638847.db2.gz JZMMSYAZQCJJBP-QFBILLFUSA-N 2 1 320.427 3.430 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H](C)CC1CC1)CC2 ZINC001246633033 1104639069 /nfs/dbraw/zinc/63/90/69/1104639069.db2.gz DDKSULPBFMMZDP-OAHLLOKOSA-N 2 1 314.473 3.321 20 0 DGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001246638635 1104640596 /nfs/dbraw/zinc/64/05/96/1104640596.db2.gz NGTXXPSZXJIZIJ-DOTOQJQBSA-N 2 1 308.416 3.247 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246637554 1104640715 /nfs/dbraw/zinc/64/07/15/1104640715.db2.gz GJRYLCRSSWOZMR-CQSZACIVSA-N 2 1 308.466 3.382 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246643898 1104642485 /nfs/dbraw/zinc/64/24/85/1104642485.db2.gz OLUMXPZNTKQTIF-LADRWXRNSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246643898 1104642488 /nfs/dbraw/zinc/64/24/88/1104642488.db2.gz OLUMXPZNTKQTIF-LADRWXRNSA-N 2 1 322.493 3.105 20 0 DGADMP c1ccc2[nH]c(C[NH+]3CC[C@H]4C[N@H+](CC5CC5)C[C@H]4CC3)nc2c1 ZINC001275136861 1104642514 /nfs/dbraw/zinc/64/25/14/1104642514.db2.gz CEZHBLXXYLNCOP-CALCHBBNSA-N 2 1 324.472 3.117 20 0 DGADMP c1ccc2[nH]c(C[NH+]3CC[C@H]4C[N@@H+](CC5CC5)C[C@H]4CC3)nc2c1 ZINC001275136861 1104642519 /nfs/dbraw/zinc/64/25/19/1104642519.db2.gz CEZHBLXXYLNCOP-CALCHBBNSA-N 2 1 324.472 3.117 20 0 DGADMP c1ccc2[nH]c(C[N@@H+]3CC[C@H]4C[NH+](CC5CC5)C[C@H]4CC3)nc2c1 ZINC001275136861 1104642524 /nfs/dbraw/zinc/64/25/24/1104642524.db2.gz CEZHBLXXYLNCOP-CALCHBBNSA-N 2 1 324.472 3.117 20 0 DGADMP c1ccc2[nH]c(C[N@H+]3CC[C@H]4C[NH+](CC5CC5)C[C@H]4CC3)nc2c1 ZINC001275136861 1104642528 /nfs/dbraw/zinc/64/25/28/1104642528.db2.gz CEZHBLXXYLNCOP-CALCHBBNSA-N 2 1 324.472 3.117 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649902 1104647465 /nfs/dbraw/zinc/64/74/65/1104647465.db2.gz RMSVEAYDODDIBR-CZUORRHYSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649902 1104647470 /nfs/dbraw/zinc/64/74/70/1104647470.db2.gz RMSVEAYDODDIBR-CZUORRHYSA-N 2 1 323.278 3.208 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649813 1104648048 /nfs/dbraw/zinc/64/80/48/1104648048.db2.gz FOIHBUWGISSFMZ-PXNSSMCTSA-N 2 1 314.473 3.161 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649813 1104648053 /nfs/dbraw/zinc/64/80/53/1104648053.db2.gz FOIHBUWGISSFMZ-PXNSSMCTSA-N 2 1 314.473 3.161 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC001246654212 1104649324 /nfs/dbraw/zinc/64/93/24/1104649324.db2.gz VWKDXMJEAMBFOW-MFMILTCTSA-N 2 1 324.468 3.463 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC001246654212 1104649329 /nfs/dbraw/zinc/64/93/29/1104649329.db2.gz VWKDXMJEAMBFOW-MFMILTCTSA-N 2 1 324.468 3.463 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656442 1104651423 /nfs/dbraw/zinc/65/14/23/1104651423.db2.gz NTRZSYWVHOUZMB-JYJNAYRXSA-N 2 1 312.379 3.091 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001246660180 1104652786 /nfs/dbraw/zinc/65/27/86/1104652786.db2.gz SDJNLUPRFIPTGA-SOAGJPPSSA-N 3 1 321.553 3.494 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661687 1104653454 /nfs/dbraw/zinc/65/34/54/1104653454.db2.gz GJBXEUVLWBVOTF-XNRPHZJLSA-N 2 1 323.278 3.193 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001246664206 1104654328 /nfs/dbraw/zinc/65/43/28/1104654328.db2.gz LRDURZYVWPLYJE-JVGQSUMCSA-N 2 1 300.446 3.190 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246672690 1104655853 /nfs/dbraw/zinc/65/58/53/1104655853.db2.gz KOHRHDZZTFSQAI-IIAWOOMASA-N 2 1 308.491 3.364 20 0 DGADMP COC(=O)CCC[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275158626 1104656813 /nfs/dbraw/zinc/65/68/13/1104656813.db2.gz NEZDXQIFVUTXHT-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP COC(=O)CCC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275158626 1104656819 /nfs/dbraw/zinc/65/68/19/1104656819.db2.gz NEZDXQIFVUTXHT-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP COC(=O)CCC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275158626 1104656821 /nfs/dbraw/zinc/65/68/21/1104656821.db2.gz NEZDXQIFVUTXHT-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP COC(=O)CCC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275158626 1104656829 /nfs/dbraw/zinc/65/68/29/1104656829.db2.gz NEZDXQIFVUTXHT-IBGZPJMESA-N 2 1 322.493 3.060 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246676884 1104657144 /nfs/dbraw/zinc/65/71/44/1104657144.db2.gz DLIMFXBIAXZMMB-NXHRZFHOSA-N 2 1 304.453 3.468 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CS2 ZINC001246677709 1104659034 /nfs/dbraw/zinc/65/90/34/1104659034.db2.gz LJHNCHAPHOIHDY-SQNIBIBYSA-N 2 1 316.514 3.415 20 0 DGADMP CN([C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246682443 1104659951 /nfs/dbraw/zinc/65/99/51/1104659951.db2.gz NERDCFUXMFCUBX-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP c1cc2c(s1)CC[N@@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246683879 1104660349 /nfs/dbraw/zinc/66/03/49/1104660349.db2.gz VCVAXIHWNQRDJU-ROUUACIJSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)CC[N@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246683879 1104660356 /nfs/dbraw/zinc/66/03/56/1104660356.db2.gz VCVAXIHWNQRDJU-ROUUACIJSA-N 2 1 312.482 3.470 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679834 1104660405 /nfs/dbraw/zinc/66/04/05/1104660405.db2.gz ZDKUAZPBSLBEMI-NXHRZFHOSA-N 2 1 304.453 3.468 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246686325 1104661910 /nfs/dbraw/zinc/66/19/10/1104661910.db2.gz RKTIUXXVCJVIAF-AHRSYUTCSA-N 2 1 310.441 3.290 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246687910 1104662523 /nfs/dbraw/zinc/66/25/23/1104662523.db2.gz YKYFQYJYTASQNE-DFQSSKMNSA-N 2 1 316.489 3.055 20 0 DGADMP Oc1cnccc1C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001275167607 1104663091 /nfs/dbraw/zinc/66/30/91/1104663091.db2.gz DKVJUSSSWBLSSP-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP Oc1cnccc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275167607 1104663094 /nfs/dbraw/zinc/66/30/94/1104663094.db2.gz DKVJUSSSWBLSSP-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)CC[NH2+]1 ZINC001246733112 1104665500 /nfs/dbraw/zinc/66/55/00/1104665500.db2.gz JMITYUFTSVKDOF-BHIYHBOVSA-N 2 1 314.473 3.166 20 0 DGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@@H]21 ZINC001246761821 1104667329 /nfs/dbraw/zinc/66/73/29/1104667329.db2.gz CJORERQFUXBGHJ-ICSRJNTNSA-N 2 1 313.489 3.073 20 0 DGADMP C[C@@H]1CC([N@@H+](C)Cc2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC001246774084 1104668395 /nfs/dbraw/zinc/66/83/95/1104668395.db2.gz BLOSWOUQVQLXRS-VXGBXAGGSA-N 2 1 311.267 3.410 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@@H]1c1ccccc1 ZINC001246777169 1104668997 /nfs/dbraw/zinc/66/89/97/1104668997.db2.gz RCPZTLCNISGJNL-QRVBRYPASA-N 2 1 315.505 3.142 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)cc1 ZINC001246780948 1104670409 /nfs/dbraw/zinc/67/04/09/1104670409.db2.gz AOZFJQDNRVCUKU-SYYJFZTOSA-N 2 1 314.473 3.452 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](CCC(=O)OC)C2CCCC2)CC[NH2+]1 ZINC001246780595 1104670583 /nfs/dbraw/zinc/67/05/83/1104670583.db2.gz CHHAKEGHVMJBBO-RDJZCZTQSA-N 2 1 310.482 3.105 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](CCC(=O)OC)C2CCCC2)CC[NH2+]1 ZINC001246780585 1104670724 /nfs/dbraw/zinc/67/07/24/1104670724.db2.gz CHHAKEGHVMJBBO-DOTOQJQBSA-N 2 1 310.482 3.105 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC[NH2+]1 ZINC001246784515 1104673611 /nfs/dbraw/zinc/67/36/11/1104673611.db2.gz XQLSLGSIRAFMMQ-IKGGRYGDSA-N 2 1 318.461 3.069 20 0 DGADMP Clc1ccc(CO[C@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246787706 1104674828 /nfs/dbraw/zinc/67/48/28/1104674828.db2.gz LRRIXMIABIXIDW-ROUUACIJSA-N 2 1 322.880 3.463 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246789270 1104676562 /nfs/dbraw/zinc/67/65/62/1104676562.db2.gz JSVFEEZGCJUAOS-GUYCJALGSA-N 2 1 320.864 3.375 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789203 1104676868 /nfs/dbraw/zinc/67/68/68/1104676868.db2.gz UNCQQJSBZVDMKU-DLBZAZTESA-N 2 1 320.477 3.446 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC001246789203 1104676871 /nfs/dbraw/zinc/67/68/71/1104676871.db2.gz UNCQQJSBZVDMKU-DLBZAZTESA-N 2 1 320.477 3.446 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792564 1104677742 /nfs/dbraw/zinc/67/77/42/1104677742.db2.gz RBXFZKJABQDTKQ-QRVBRYPASA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792564 1104677746 /nfs/dbraw/zinc/67/77/46/1104677746.db2.gz RBXFZKJABQDTKQ-QRVBRYPASA-N 2 1 302.462 3.054 20 0 DGADMP CCCCCC[NH+]1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246791871 1104677776 /nfs/dbraw/zinc/67/77/76/1104677776.db2.gz PMSIERWPLXIGJL-UHFFFAOYSA-N 2 1 321.553 3.497 20 0 DGADMP c1n[nH]cc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001275211916 1104677721 /nfs/dbraw/zinc/67/77/21/1104677721.db2.gz JDYYKQCAKAKRCS-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246793666 1104679561 /nfs/dbraw/zinc/67/95/61/1104679561.db2.gz WEXMOBWNZQFUAG-GPJFCIFZSA-N 2 1 314.473 3.200 20 0 DGADMP c1cc2c(s1)C[N@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246793706 1104679887 /nfs/dbraw/zinc/67/98/87/1104679887.db2.gz CYQLBRWSBDEUEG-MSOLQXFVSA-N 2 1 312.482 3.470 20 0 DGADMP c1cc2c(s1)C[N@@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246793706 1104679890 /nfs/dbraw/zinc/67/98/90/1104679890.db2.gz CYQLBRWSBDEUEG-MSOLQXFVSA-N 2 1 312.482 3.470 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CCc2ccccc2OC)CC[NH2+]1 ZINC001246812574 1104686654 /nfs/dbraw/zinc/68/66/54/1104686654.db2.gz DSWNJKYHUITMCZ-ROUUACIJSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccccc1CC[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246813614 1104686641 /nfs/dbraw/zinc/68/66/41/1104686641.db2.gz KMENTRCDNKNPPV-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC2)c1 ZINC001275240386 1104687148 /nfs/dbraw/zinc/68/71/48/1104687148.db2.gz OVQDMGFHFCIZRQ-KDURUIRLSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3CC2)c1 ZINC001275240386 1104687152 /nfs/dbraw/zinc/68/71/52/1104687152.db2.gz OVQDMGFHFCIZRQ-KDURUIRLSA-N 2 1 309.457 3.359 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3CC2)c1 ZINC001275240386 1104687158 /nfs/dbraw/zinc/68/71/58/1104687158.db2.gz OVQDMGFHFCIZRQ-KDURUIRLSA-N 2 1 309.457 3.359 20 0 DGADMP COc1cccc(CC[N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246813621 1104687268 /nfs/dbraw/zinc/68/72/68/1104687268.db2.gz KQMYVRAKSFCCPH-UHFFFAOYSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246813978 1104688566 /nfs/dbraw/zinc/68/85/66/1104688566.db2.gz NEUMZNZMRKOHDO-AEFFLSMTSA-N 2 1 304.478 3.336 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246813980 1104688819 /nfs/dbraw/zinc/68/88/19/1104688819.db2.gz NEUMZNZMRKOHDO-FUHWJXTLSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246813986 1104688862 /nfs/dbraw/zinc/68/88/62/1104688862.db2.gz NKGGLOVPSLEPKL-NWDGAFQWSA-N 2 1 316.823 3.481 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246814680 1104688958 /nfs/dbraw/zinc/68/89/58/1104688958.db2.gz RFCJUTDBZRQLGX-FUHWJXTLSA-N 2 1 304.478 3.336 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCNC[C@H]1Cc1ccccc1 ZINC001246819102 1104690259 /nfs/dbraw/zinc/69/02/59/1104690259.db2.gz QTQBRVBRYRHPAD-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001246819102 1104690263 /nfs/dbraw/zinc/69/02/63/1104690263.db2.gz QTQBRVBRYRHPAD-UYAOXDASSA-N 2 1 317.521 3.013 20 0 DGADMP Brc1ccc([C@H]2CC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821222 1104691384 /nfs/dbraw/zinc/69/13/84/1104691384.db2.gz IYDZESRIOPBPCY-GOEBONIOSA-N 2 1 323.278 3.381 20 0 DGADMP Brc1ccc([C@H]2CC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821222 1104691388 /nfs/dbraw/zinc/69/13/88/1104691388.db2.gz IYDZESRIOPBPCY-GOEBONIOSA-N 2 1 323.278 3.381 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCN[C@H](c3ccccc3)C2)CC1 ZINC001246822445 1104691557 /nfs/dbraw/zinc/69/15/57/1104691557.db2.gz AXKHJSOBNYPFRG-MHJFOBGBSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001246822519 1104691823 /nfs/dbraw/zinc/69/18/23/1104691823.db2.gz BLUWHKACSVAEQX-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246822519 1104691825 /nfs/dbraw/zinc/69/18/25/1104691825.db2.gz BLUWHKACSVAEQX-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]1(C)c1cccc(O)c1 ZINC001246829179 1104694598 /nfs/dbraw/zinc/69/45/98/1104694598.db2.gz VFLCAXIFFNSZFW-BJRJPQQXSA-N 2 1 314.473 3.275 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c1C ZINC001246832420 1104696152 /nfs/dbraw/zinc/69/61/52/1104696152.db2.gz GQBSYLVLNXBORI-RTBURBONSA-N 2 1 315.505 3.202 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246837317 1104698477 /nfs/dbraw/zinc/69/84/77/1104698477.db2.gz DBJQOHSOVWJMJY-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1ccccc1OC1C[NH+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246841051 1104700901 /nfs/dbraw/zinc/70/09/01/1104700901.db2.gz LHQNHZVRTYPIAB-UHFFFAOYSA-N 2 1 318.436 3.201 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246842426 1104703759 /nfs/dbraw/zinc/70/37/59/1104703759.db2.gz RWMXZJDUNKIRQW-GUDVDZBRSA-N 2 1 302.462 3.198 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+]([C@@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246845676 1104704382 /nfs/dbraw/zinc/70/43/82/1104704382.db2.gz MQMKKBHEOUGELG-SJORKVTESA-N 2 1 302.487 3.104 20 0 DGADMP C[C@H]1CC([N@@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001246845806 1104704439 /nfs/dbraw/zinc/70/44/39/1104704439.db2.gz LZQPUJRNVYXCNB-LNLFQRSKSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H]1CC([N@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001246845806 1104704446 /nfs/dbraw/zinc/70/44/46/1104704446.db2.gz LZQPUJRNVYXCNB-LNLFQRSKSA-N 2 1 315.505 3.241 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+]([C@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246845674 1104704895 /nfs/dbraw/zinc/70/48/95/1104704895.db2.gz MQMKKBHEOUGELG-IAGOWNOFSA-N 2 1 302.487 3.104 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246848908 1104706456 /nfs/dbraw/zinc/70/64/56/1104706456.db2.gz CVUSRWAHESXTIX-KYHPRHEASA-N 2 1 320.864 3.466 20 0 DGADMP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246852106 1104706986 /nfs/dbraw/zinc/70/69/86/1104706986.db2.gz PFBZYAIYWVLICJ-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246851841 1104707658 /nfs/dbraw/zinc/70/76/58/1104707658.db2.gz AHQYMMJXOWSBMS-FUHWJXTLSA-N 2 1 302.437 3.222 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857043 1104710557 /nfs/dbraw/zinc/71/05/57/1104710557.db2.gz ZHVCRYCZGBYGAN-ZENOOKHLSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857043 1104710562 /nfs/dbraw/zinc/71/05/62/1104710562.db2.gz ZHVCRYCZGBYGAN-ZENOOKHLSA-N 2 1 311.256 3.274 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246862686 1104710851 /nfs/dbraw/zinc/71/08/51/1104710851.db2.gz MPPFQIDKCHJZGV-AZUAARDMSA-N 2 1 316.489 3.482 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246861304 1104711077 /nfs/dbraw/zinc/71/10/77/1104711077.db2.gz AVFXGEGMWHYRTO-SAIHOINMSA-N 2 1 310.485 3.497 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246861304 1104711083 /nfs/dbraw/zinc/71/10/83/1104711083.db2.gz AVFXGEGMWHYRTO-SAIHOINMSA-N 2 1 310.485 3.497 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246863153 1104711627 /nfs/dbraw/zinc/71/16/27/1104711627.db2.gz KBLFTZXIBLIBBT-FZMZJTMJSA-N 2 1 313.272 3.392 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865688 1104713007 /nfs/dbraw/zinc/71/30/07/1104713007.db2.gz WKJWIILNNVHYSD-NWDGAFQWSA-N 2 1 316.823 3.481 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001246865688 1104713013 /nfs/dbraw/zinc/71/30/13/1104713013.db2.gz WKJWIILNNVHYSD-NWDGAFQWSA-N 2 1 316.823 3.481 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001246865586 1104713289 /nfs/dbraw/zinc/71/32/89/1104713289.db2.gz ZCVRHSPXATWWFG-HPUSYDDDSA-N 2 1 315.505 3.097 20 0 DGADMP COC(=O)c1cccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246873444 1104716356 /nfs/dbraw/zinc/71/63/56/1104716356.db2.gz GTTUXUVOKXOJMK-IRXDYDNUSA-N 2 1 318.461 3.072 20 0 DGADMP COC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246873444 1104716362 /nfs/dbraw/zinc/71/63/62/1104716362.db2.gz GTTUXUVOKXOJMK-IRXDYDNUSA-N 2 1 318.461 3.072 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246878583 1104717487 /nfs/dbraw/zinc/71/74/87/1104717487.db2.gz WWEPVVDYXHMPDK-HOTGVXAUSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C2)cc1 ZINC001246878635 1104718422 /nfs/dbraw/zinc/71/84/22/1104718422.db2.gz SJBFRSJFWFRBLN-ZHALLVOQSA-N 2 1 302.462 3.261 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246880683 1104719790 /nfs/dbraw/zinc/71/97/90/1104719790.db2.gz KKPZSIKUFBOLDI-IKGGRYGDSA-N 2 1 324.509 3.493 20 0 DGADMP c1csc([C@@H]2C[NH2+]CCN2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001246883679 1104721042 /nfs/dbraw/zinc/72/10/42/1104721042.db2.gz DZDXBFVLSANWOY-IRXDYDNUSA-N 2 1 319.518 3.101 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246889905 1104725470 /nfs/dbraw/zinc/72/54/70/1104725470.db2.gz GUXNZQNDYOBOOU-LPHOPBHVSA-N 2 1 315.505 3.247 20 0 DGADMP Clc1ccc([C@@]23C[C@@H]2C[N@H+](C2CC[NH2+]CC2)C3)cc1Cl ZINC001246895260 1104727820 /nfs/dbraw/zinc/72/78/20/1104727820.db2.gz WWGCAXGFLARQGO-WBMJQRKESA-N 2 1 311.256 3.319 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904276 1104729594 /nfs/dbraw/zinc/72/95/94/1104729594.db2.gz VHYPRGQNNBDQIK-ZACQAIPSSA-N 2 1 324.509 3.351 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246908140 1104732085 /nfs/dbraw/zinc/73/20/85/1104732085.db2.gz FZICYDNUOGOQHT-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]CC[C@@H](C)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001246908150 1104732273 /nfs/dbraw/zinc/73/22/73/1104732273.db2.gz GBUYXKDPUJWBKV-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908954 1104732632 /nfs/dbraw/zinc/73/26/32/1104732632.db2.gz HGHNDIRTBXGUDN-FUHWJXTLSA-N 3 1 319.468 3.001 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+](C)C2(C)CC[NH2+]CC2)CCN1 ZINC001246908954 1104732640 /nfs/dbraw/zinc/73/26/40/1104732640.db2.gz HGHNDIRTBXGUDN-FUHWJXTLSA-N 3 1 319.468 3.001 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246911904 1104734119 /nfs/dbraw/zinc/73/41/19/1104734119.db2.gz DNJWLCJSDTYHTH-UTSKFRMZSA-N 2 1 322.493 3.102 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246911768 1104734392 /nfs/dbraw/zinc/73/43/92/1104734392.db2.gz DNJWLCJSDTYHTH-ALYAQQCSSA-N 2 1 322.493 3.102 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246911856 1104734541 /nfs/dbraw/zinc/73/45/41/1104734541.db2.gz DNJWLCJSDTYHTH-MTSZKFMLSA-N 2 1 322.493 3.102 20 0 DGADMP CN([C@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246918589 1104736432 /nfs/dbraw/zinc/73/64/32/1104736432.db2.gz LHXAEEHTBRZFRC-AABGKKOBSA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)OCC[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918301 1104736981 /nfs/dbraw/zinc/73/69/81/1104736981.db2.gz DVAROLYVANUITG-HKUYNNGSSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCC[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246918301 1104736987 /nfs/dbraw/zinc/73/69/87/1104736987.db2.gz DVAROLYVANUITG-HKUYNNGSSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246917438 1104737095 /nfs/dbraw/zinc/73/70/95/1104737095.db2.gz QWTWOJZQZYTOKP-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246917438 1104737101 /nfs/dbraw/zinc/73/71/01/1104737101.db2.gz QWTWOJZQZYTOKP-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)c1 ZINC001246917785 1104737139 /nfs/dbraw/zinc/73/71/39/1104737139.db2.gz XJCBMXAVXMCHIH-QZTJIDSGSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246917886 1104737585 /nfs/dbraw/zinc/73/75/85/1104737585.db2.gz YFUVCQVYRFJXTL-IPMKNSEASA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H](Cc1cccnc1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920068 1104739133 /nfs/dbraw/zinc/73/91/33/1104739133.db2.gz IWPZNOPMESOANR-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H](Cc1cccnc1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920068 1104739137 /nfs/dbraw/zinc/73/91/37/1104739137.db2.gz IWPZNOPMESOANR-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246935050 1104742904 /nfs/dbraw/zinc/74/29/04/1104742904.db2.gz PZRPKUXDRFVKDJ-ROUUACIJSA-N 2 1 320.452 3.337 20 0 DGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246936346 1104743525 /nfs/dbraw/zinc/74/35/25/1104743525.db2.gz HSNUDHNQDBLBLV-MISYRCLQSA-N 3 1 319.537 3.153 20 0 DGADMP Nc1cccc2c1CC[N@@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246933419 1104743716 /nfs/dbraw/zinc/74/37/16/1104743716.db2.gz IONDWVLNQLMKID-PXNSSMCTSA-N 2 1 307.441 3.120 20 0 DGADMP Nc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246933419 1104743720 /nfs/dbraw/zinc/74/37/20/1104743720.db2.gz IONDWVLNQLMKID-PXNSSMCTSA-N 2 1 307.441 3.120 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246938941 1104744415 /nfs/dbraw/zinc/74/44/15/1104744415.db2.gz PWWMCEICJYLHCB-BHIYHBOVSA-N 2 1 315.505 3.241 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941529 1104745988 /nfs/dbraw/zinc/74/59/88/1104745988.db2.gz ZIMIDQOJMOPAFG-UHOSZYNNSA-N 3 1 321.553 3.397 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N(C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941529 1104745994 /nfs/dbraw/zinc/74/59/94/1104745994.db2.gz ZIMIDQOJMOPAFG-UHOSZYNNSA-N 2 1 321.553 3.397 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246945671 1104747521 /nfs/dbraw/zinc/74/75/21/1104747521.db2.gz HUXFYTUKVJSRET-MJGOQNOKSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@H+](C1CCNCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246945671 1104747526 /nfs/dbraw/zinc/74/75/26/1104747526.db2.gz HUXFYTUKVJSRET-MJGOQNOKSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246945671 1104747530 /nfs/dbraw/zinc/74/75/30/1104747530.db2.gz HUXFYTUKVJSRET-MJGOQNOKSA-N 2 1 307.526 3.009 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948045 1104748631 /nfs/dbraw/zinc/74/86/31/1104748631.db2.gz AADNYIHFJSWEPR-WMZOPIPTSA-N 3 1 309.542 3.397 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948045 1104748634 /nfs/dbraw/zinc/74/86/34/1104748634.db2.gz AADNYIHFJSWEPR-WMZOPIPTSA-N 3 1 309.542 3.397 20 0 DGADMP CC[C@H]1CC([NH+]2CCN(c3cccc(F)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246948760 1104748810 /nfs/dbraw/zinc/74/88/10/1104748810.db2.gz LHRBMCMLPNWPDS-IRXDYDNUSA-N 2 1 319.468 3.257 20 0 DGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccn2)C2CC[NH2+]CC2)C[C@@H]1C ZINC001246953180 1104751111 /nfs/dbraw/zinc/75/11/11/1104751111.db2.gz MJZVMUVPAWSEJV-JTDSTZFVSA-N 2 1 301.478 3.460 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246953218 1104751644 /nfs/dbraw/zinc/75/16/44/1104751644.db2.gz APLRXPGLTBHSDT-QGZVFWFLSA-N 2 1 308.466 3.194 20 0 DGADMP Cn1c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415055 1104751768 /nfs/dbraw/zinc/75/17/68/1104751768.db2.gz WBHATEAPPXLOAA-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415055 1104751775 /nfs/dbraw/zinc/75/17/75/1104751775.db2.gz WBHATEAPPXLOAA-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc2ccccc21 ZINC001275415055 1104751778 /nfs/dbraw/zinc/75/17/78/1104751778.db2.gz WBHATEAPPXLOAA-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc2ccccc21 ZINC001275415055 1104751784 /nfs/dbraw/zinc/75/17/84/1104751784.db2.gz WBHATEAPPXLOAA-HXUWFJFHSA-N 2 1 311.473 3.486 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246961269 1104752448 /nfs/dbraw/zinc/75/24/48/1104752448.db2.gz PPSICSKMTPUWJA-QGZVFWFLSA-N 2 1 308.466 3.194 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246962261 1104752791 /nfs/dbraw/zinc/75/27/91/1104752791.db2.gz UDLDTIQSPXKHKW-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246962284 1104753006 /nfs/dbraw/zinc/75/30/06/1104753006.db2.gz UDLDTIQSPXKHKW-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246963346 1104753652 /nfs/dbraw/zinc/75/36/52/1104753652.db2.gz AENJULUMHXLVAN-KPEUIFRASA-N 2 1 320.502 3.314 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246963346 1104753654 /nfs/dbraw/zinc/75/36/54/1104753654.db2.gz AENJULUMHXLVAN-KPEUIFRASA-N 2 1 320.502 3.314 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)C[C@H](CC)[NH2+]1 ZINC001246964816 1104753853 /nfs/dbraw/zinc/75/38/53/1104753853.db2.gz FNCWGKSFCZEXCO-MHORFTMASA-N 2 1 317.477 3.152 20 0 DGADMP Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)nc1 ZINC001246966011 1104754256 /nfs/dbraw/zinc/75/42/56/1104754256.db2.gz IUCZTMXCZBXULV-ZACQAIPSSA-N 2 1 317.477 3.010 20 0 DGADMP C[C@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@@H](c2ccccc2)CO1 ZINC001246974123 1104756373 /nfs/dbraw/zinc/75/63/73/1104756373.db2.gz IABMOYFQYHSXIA-QXAKKESOSA-N 2 1 314.473 3.371 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246972082 1104756438 /nfs/dbraw/zinc/75/64/38/1104756438.db2.gz CKVYNFIPXUKENX-IRXDYDNUSA-N 2 1 318.461 3.058 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246971383 1104756973 /nfs/dbraw/zinc/75/69/73/1104756973.db2.gz AYOFRUXMWUXNGH-UJDVCPFMSA-N 2 1 323.278 3.049 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973588 1104757132 /nfs/dbraw/zinc/75/71/32/1104757132.db2.gz OOPUAJSIMWGBKZ-AUUYWEPGSA-N 2 1 302.437 3.147 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246979700 1104761547 /nfs/dbraw/zinc/76/15/47/1104761547.db2.gz ZRPFWNBCBZIJRL-INIZCTEOSA-N 2 1 304.865 3.414 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246987968 1104763589 /nfs/dbraw/zinc/76/35/89/1104763589.db2.gz VRBATFAPDXYGHW-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP CC[C@@H]1C[C@@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC001246988038 1104765398 /nfs/dbraw/zinc/76/53/98/1104765398.db2.gz WJYHNPKCZISXTQ-LFGUQSLTSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@@H+](Cc1cccc2c1OCO2)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246993730 1104767186 /nfs/dbraw/zinc/76/71/86/1104767186.db2.gz MNLPXOITICAAGG-UHFFFAOYSA-N 2 1 316.445 3.160 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996450 1104769607 /nfs/dbraw/zinc/76/96/07/1104769607.db2.gz XVSKVTXNIMDOQI-AAEUAGOBSA-N 2 1 302.340 3.158 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996450 1104769613 /nfs/dbraw/zinc/76/96/13/1104769613.db2.gz XVSKVTXNIMDOQI-AAEUAGOBSA-N 2 1 302.340 3.158 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cccnc4cc3F)C[C@H]2CC1 ZINC001275473322 1104769936 /nfs/dbraw/zinc/76/99/36/1104769936.db2.gz YCMALERDBMZLNX-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cccnc4cc3F)C[C@H]2CC1 ZINC001275473322 1104769941 /nfs/dbraw/zinc/76/99/41/1104769941.db2.gz YCMALERDBMZLNX-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cccnc4cc3F)C[C@H]2CC1 ZINC001275473322 1104769947 /nfs/dbraw/zinc/76/99/47/1104769947.db2.gz YCMALERDBMZLNX-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@@H]3CCC[NH2+]CC3)CC[C@@H]1N2 ZINC001247002038 1104771431 /nfs/dbraw/zinc/77/14/31/1104771431.db2.gz KHMYEAXZTCZLQQ-KMFMINBZSA-N 2 1 305.853 3.066 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@@H]3CCC[NH2+]CC3)CC[C@@H]1N2 ZINC001247002038 1104771435 /nfs/dbraw/zinc/77/14/35/1104771435.db2.gz KHMYEAXZTCZLQQ-KMFMINBZSA-N 2 1 305.853 3.066 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001247004420 1104772918 /nfs/dbraw/zinc/77/29/18/1104772918.db2.gz CBDXPODCFHJNIS-JLSDUUJJSA-N 2 1 316.445 3.141 20 0 DGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001247004414 1104772993 /nfs/dbraw/zinc/77/29/93/1104772993.db2.gz CBDXPODCFHJNIS-FHLIZLRMSA-N 2 1 316.445 3.141 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006614 1104774432 /nfs/dbraw/zinc/77/44/32/1104774432.db2.gz VGAVTRILPUKRIZ-INWDNEFGSA-N 2 1 319.880 3.452 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006614 1104774435 /nfs/dbraw/zinc/77/44/35/1104774435.db2.gz VGAVTRILPUKRIZ-INWDNEFGSA-N 2 1 319.880 3.452 20 0 DGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247006317 1104774731 /nfs/dbraw/zinc/77/47/31/1104774731.db2.gz IMZJLGVLAUYUKT-ULQDDVLXSA-N 2 1 324.509 3.066 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247015809 1104779658 /nfs/dbraw/zinc/77/96/58/1104779658.db2.gz QEWSGRWHFLUMGY-HDMKZQKVSA-N 2 1 304.865 3.271 20 0 DGADMP COc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275531060 1104793796 /nfs/dbraw/zinc/79/37/96/1104793796.db2.gz DYQVPYNZDMHYCC-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275531060 1104793801 /nfs/dbraw/zinc/79/38/01/1104793801.db2.gz DYQVPYNZDMHYCC-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C)c1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275531060 1104793805 /nfs/dbraw/zinc/79/38/05/1104793805.db2.gz DYQVPYNZDMHYCC-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C)c1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275531060 1104793808 /nfs/dbraw/zinc/79/38/08/1104793808.db2.gz DYQVPYNZDMHYCC-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275531104 1104794274 /nfs/dbraw/zinc/79/42/74/1104794274.db2.gz GORPOLYMDYIVEW-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(-c2ccccc2)c1 ZINC001275600359 1104828471 /nfs/dbraw/zinc/82/84/71/1104828471.db2.gz MMPNNMYRDUDGAH-IHWFROFDSA-N 2 1 307.441 3.463 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncc(-c2ccccc2)c1 ZINC001275600359 1104828481 /nfs/dbraw/zinc/82/84/81/1104828481.db2.gz MMPNNMYRDUDGAH-IHWFROFDSA-N 2 1 307.441 3.463 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1-n1cccc1)CC2 ZINC001275602884 1104829224 /nfs/dbraw/zinc/82/92/24/1104829224.db2.gz ZAUUBQSHMODZLC-UHFFFAOYSA-N 2 1 309.457 3.395 20 0 DGADMP c1c[nH]c(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275854041 1104932876 /nfs/dbraw/zinc/93/28/76/1104932876.db2.gz YITYRDQBKCRNHM-UHFFFAOYSA-N 2 1 312.461 3.221 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3CC2)c1 ZINC001275857590 1104934416 /nfs/dbraw/zinc/93/44/16/1104934416.db2.gz GTDRHXCNZBZBSG-IYBDPMFKSA-N 2 1 315.486 3.420 20 0 DGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccs4)C[C@H]3CC2)c1 ZINC001275857590 1104934422 /nfs/dbraw/zinc/93/44/22/1104934422.db2.gz GTDRHXCNZBZBSG-IYBDPMFKSA-N 2 1 315.486 3.420 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4cccs4)C[C@H]3CC2)c1 ZINC001275857590 1104934423 /nfs/dbraw/zinc/93/44/23/1104934423.db2.gz GTDRHXCNZBZBSG-IYBDPMFKSA-N 2 1 315.486 3.420 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001275864293 1104937284 /nfs/dbraw/zinc/93/72/84/1104937284.db2.gz SLYQYCBSTDSQPR-UHFFFAOYSA-N 2 1 315.486 3.483 20 0 DGADMP COc1cccc(OC)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275945325 1104964628 /nfs/dbraw/zinc/96/46/28/1104964628.db2.gz HTKPSIGSKQOEKV-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1C[C@@H]1C)C2 ZINC001276030294 1104991507 /nfs/dbraw/zinc/99/15/07/1104991507.db2.gz CPCKQPCRFPOBNQ-LESCRADOSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1C[C@@H]1C)C2 ZINC001276030294 1104991511 /nfs/dbraw/zinc/99/15/11/1104991511.db2.gz CPCKQPCRFPOBNQ-LESCRADOSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1C[C@@H]1C)C2 ZINC001276030294 1104991514 /nfs/dbraw/zinc/99/15/14/1104991514.db2.gz CPCKQPCRFPOBNQ-LESCRADOSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1C[C@@H]1C)C2 ZINC001276030294 1104991519 /nfs/dbraw/zinc/99/15/19/1104991519.db2.gz CPCKQPCRFPOBNQ-LESCRADOSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC001276032848 1104991951 /nfs/dbraw/zinc/99/19/51/1104991951.db2.gz PSOZWSJVDDABGK-GOEBONIOSA-N 2 1 319.518 3.395 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092189 1105014499 /nfs/dbraw/zinc/01/44/99/1105014499.db2.gz HBAGAMFMYGAJHC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092189 1105014501 /nfs/dbraw/zinc/01/45/01/1105014501.db2.gz HBAGAMFMYGAJHC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092189 1105014508 /nfs/dbraw/zinc/01/45/08/1105014508.db2.gz HBAGAMFMYGAJHC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001276092189 1105014514 /nfs/dbraw/zinc/01/45/14/1105014514.db2.gz HBAGAMFMYGAJHC-SFHVURJKSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@H]2CC1 ZINC001276155030 1105032767 /nfs/dbraw/zinc/03/27/67/1105032767.db2.gz PRZDLXVSYKGKDQ-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@H]2CC1 ZINC001276155030 1105032771 /nfs/dbraw/zinc/03/27/71/1105032771.db2.gz PRZDLXVSYKGKDQ-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@H]2CC1 ZINC001276155030 1105032777 /nfs/dbraw/zinc/03/27/77/1105032777.db2.gz PRZDLXVSYKGKDQ-GASCZTMLSA-N 2 1 310.388 3.062 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc(F)c1F ZINC001276222951 1105054504 /nfs/dbraw/zinc/05/45/04/1105054504.db2.gz DMYVLLLPLBJKPL-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc(F)c1F ZINC001276222951 1105054512 /nfs/dbraw/zinc/05/45/12/1105054512.db2.gz DMYVLLLPLBJKPL-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCn1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001276243476 1105059197 /nfs/dbraw/zinc/05/91/97/1105059197.db2.gz GOOCAKVGHUNZDM-UHFFFAOYSA-N 2 1 316.493 3.134 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c(F)c1F ZINC001248194892 1105066238 /nfs/dbraw/zinc/06/62/38/1105066238.db2.gz PFPPVRSESBEJQA-LBPRGKRZSA-N 2 1 324.375 3.055 20 0 DGADMP COc1ccc2c(OC)ccc(C[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC001248825667 1105172513 /nfs/dbraw/zinc/17/25/13/1105172513.db2.gz MKEOESFIWIBOKA-UHFFFAOYSA-N 2 1 316.445 3.241 20 0 DGADMP Cc1c(Cl)cccc1-c1noc([C@@H]([NH3+])CC2CC[NH2+]CC2)n1 ZINC001248896461 1105189039 /nfs/dbraw/zinc/18/90/39/1105189039.db2.gz PWXVDXIUKPTGQP-AWEZNQCLSA-N 2 1 320.824 3.088 20 0 DGADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2cccc3ccccc32)no1 ZINC001248898596 1105189102 /nfs/dbraw/zinc/18/91/02/1105189102.db2.gz MAECVTYBKQDTBI-KRWDZBQOSA-N 2 1 322.412 3.279 20 0 DGADMP Cc1ccc(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001249328006 1105269175 /nfs/dbraw/zinc/26/91/75/1105269175.db2.gz OWGQJOLPCDMXGI-QGZVFWFLSA-N 2 1 322.412 3.198 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)[nH]1 ZINC001137324225 1105485934 /nfs/dbraw/zinc/48/59/34/1105485934.db2.gz ORUZVRDLEYOQKA-HOTGVXAUSA-N 2 1 315.486 3.257 20 0 DGADMP CCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252108936 1105740743 /nfs/dbraw/zinc/74/07/43/1105740743.db2.gz TWRSBCHOYUXXAI-RBUKOAKNSA-N 2 1 304.478 3.039 20 0 DGADMP CCCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252113772 1105742488 /nfs/dbraw/zinc/74/24/88/1105742488.db2.gz IUVWWHSCWUGHST-YSTOQKLRSA-N 2 1 316.489 3.323 20 0 DGADMP C[NH+]1CCC([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1 ZINC001256199487 1105843224 /nfs/dbraw/zinc/84/32/24/1105843224.db2.gz BRGAUWVEPHYMIX-UHFFFAOYSA-N 2 1 304.331 3.071 20 0 DGADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC1CC1 ZINC001252950978 1105859671 /nfs/dbraw/zinc/85/96/71/1105859671.db2.gz OEHMROYAXJYBCR-HXUWFJFHSA-N 2 1 316.489 3.039 20 0 DGADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC1CC1 ZINC001252950978 1105859677 /nfs/dbraw/zinc/85/96/77/1105859677.db2.gz OEHMROYAXJYBCR-HXUWFJFHSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@](O)(C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001253101588 1105888768 /nfs/dbraw/zinc/88/87/68/1105888768.db2.gz UTZKLTIWPFDIJP-PMACEKPBSA-N 2 1 316.489 3.235 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccccc1 ZINC001253115157 1105893195 /nfs/dbraw/zinc/89/31/95/1105893195.db2.gz HXPSVACESDQKMZ-WOJBJXKFSA-N 2 1 312.457 3.177 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1cccc(F)c1 ZINC001253211343 1105903545 /nfs/dbraw/zinc/90/35/45/1105903545.db2.gz FFKLTZLMLSWCCO-MOPGFXCFSA-N 2 1 322.468 3.349 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC001253214163 1105904692 /nfs/dbraw/zinc/90/46/92/1105904692.db2.gz NYPUFKMWJTUNIC-QFBILLFUSA-N 2 1 306.494 3.238 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2cccc3ccccc32)CC1 ZINC001253408674 1105936262 /nfs/dbraw/zinc/93/62/62/1105936262.db2.gz HIPULDCRNJZHJG-MRXNPFEDSA-N 2 1 312.457 3.168 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001253521151 1105949372 /nfs/dbraw/zinc/94/93/72/1105949372.db2.gz AKOLKZWVZMQASC-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001253549013 1105957058 /nfs/dbraw/zinc/95/70/58/1105957058.db2.gz KLFCEPJNEOHNEX-PMACEKPBSA-N 2 1 318.505 3.429 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCCOC2)CC3)c1 ZINC001254381869 1106062734 /nfs/dbraw/zinc/06/27/34/1106062734.db2.gz YHIOSHYKXSDSJD-MRXNPFEDSA-N 2 1 320.502 3.215 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254381870 1106063580 /nfs/dbraw/zinc/06/35/80/1106063580.db2.gz YHNYMIKKPGIHLA-AEFFLSMTSA-N 2 1 318.461 3.135 20 0 DGADMP C[N@H+]1CCC[C@@H](NCc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001254498099 1106081855 /nfs/dbraw/zinc/08/18/55/1106081855.db2.gz RPUKRMFPWGZKGG-CYBMUJFWSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001254498099 1106081861 /nfs/dbraw/zinc/08/18/61/1106081861.db2.gz RPUKRMFPWGZKGG-CYBMUJFWSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001254498099 1106081868 /nfs/dbraw/zinc/08/18/68/1106081868.db2.gz RPUKRMFPWGZKGG-CYBMUJFWSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506761 1106084928 /nfs/dbraw/zinc/08/49/28/1106084928.db2.gz ZEEXPUVGBOPETC-GJZGRUSLSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506761 1106084935 /nfs/dbraw/zinc/08/49/35/1106084935.db2.gz ZEEXPUVGBOPETC-GJZGRUSLSA-N 2 1 317.260 3.101 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@H+](C)CC2)n1 ZINC001254528909 1106094248 /nfs/dbraw/zinc/09/42/48/1106094248.db2.gz JHSADPOHRRYXQS-SJLPKXTDSA-N 2 1 312.461 3.391 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001254528909 1106094253 /nfs/dbraw/zinc/09/42/53/1106094253.db2.gz JHSADPOHRRYXQS-SJLPKXTDSA-N 2 1 312.461 3.391 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)CC1 ZINC001254530268 1106095057 /nfs/dbraw/zinc/09/50/57/1106095057.db2.gz WCHZAWBXYFLEJE-GOSISDBHSA-N 2 1 320.452 3.401 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254531802 1106096750 /nfs/dbraw/zinc/09/67/50/1106096750.db2.gz MISSUHCTHBQIEM-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254531802 1106096755 /nfs/dbraw/zinc/09/67/55/1106096755.db2.gz MISSUHCTHBQIEM-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP COc1cccc(C[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254531802 1106096758 /nfs/dbraw/zinc/09/67/58/1106096758.db2.gz MISSUHCTHBQIEM-MOPGFXCFSA-N 2 1 316.489 3.434 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254614879 1106113223 /nfs/dbraw/zinc/11/32/23/1106113223.db2.gz VULZGZVKEYXTMN-OALUTQOASA-N 2 1 319.468 3.257 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255127393 1106184865 /nfs/dbraw/zinc/18/48/65/1106184865.db2.gz UXHPHQBPUYUHSZ-YSTOQKLRSA-N 2 1 316.489 3.323 20 0 DGADMP c1ccn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255125648 1106185402 /nfs/dbraw/zinc/18/54/02/1106185402.db2.gz ZOUAFSJJSGTXDF-OWZKRDHZSA-N 2 1 309.457 3.273 20 0 DGADMP COC[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137388 1106188273 /nfs/dbraw/zinc/18/82/73/1106188273.db2.gz QMTWXNIPGVAHKQ-HAGHYFMRSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137388 1106188276 /nfs/dbraw/zinc/18/82/76/1106188276.db2.gz QMTWXNIPGVAHKQ-HAGHYFMRSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137388 1106188280 /nfs/dbraw/zinc/18/82/80/1106188280.db2.gz QMTWXNIPGVAHKQ-HAGHYFMRSA-N 2 1 314.473 3.150 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001255137781 1106188434 /nfs/dbraw/zinc/18/84/34/1106188434.db2.gz XISVGIOZZVEWOC-FFGOWVMKSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001255137781 1106188435 /nfs/dbraw/zinc/18/84/35/1106188435.db2.gz XISVGIOZZVEWOC-FFGOWVMKSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001255137781 1106188436 /nfs/dbraw/zinc/18/84/36/1106188436.db2.gz XISVGIOZZVEWOC-FFGOWVMKSA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@@H](C)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151345 1106190141 /nfs/dbraw/zinc/19/01/41/1106190141.db2.gz XDZJEFNJIIECFA-KCUHQSDYSA-N 2 1 314.473 3.149 20 0 DGADMP C[N@@H+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150553 1106190496 /nfs/dbraw/zinc/19/04/96/1106190496.db2.gz WGSXBHRVLLLBFT-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150553 1106190498 /nfs/dbraw/zinc/19/04/98/1106190498.db2.gz WGSXBHRVLLLBFT-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150553 1106190502 /nfs/dbraw/zinc/19/05/02/1106190502.db2.gz WGSXBHRVLLLBFT-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146374 1106191068 /nfs/dbraw/zinc/19/10/68/1106191068.db2.gz FTVSKCJEYLWECG-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146374 1106191070 /nfs/dbraw/zinc/19/10/70/1106191070.db2.gz FTVSKCJEYLWECG-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146374 1106191074 /nfs/dbraw/zinc/19/10/74/1106191074.db2.gz FTVSKCJEYLWECG-REPLKXPHSA-N 2 1 316.489 3.275 20 0 DGADMP FC[C@H]1[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001255148264 1106191127 /nfs/dbraw/zinc/19/11/27/1106191127.db2.gz SUONHOBIVHPBEP-FXYHRWFLSA-N 2 1 314.448 3.329 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001255148264 1106191129 /nfs/dbraw/zinc/19/11/29/1106191129.db2.gz SUONHOBIVHPBEP-FXYHRWFLSA-N 2 1 314.448 3.329 20 0 DGADMP FC[C@H]1[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001255148264 1106191133 /nfs/dbraw/zinc/19/11/33/1106191133.db2.gz SUONHOBIVHPBEP-FXYHRWFLSA-N 2 1 314.448 3.329 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@H]3CCSC3)CC1)C2 ZINC001255290919 1106216664 /nfs/dbraw/zinc/21/66/64/1106216664.db2.gz NMBFQIMYBSZDAS-SFHVURJKSA-N 2 1 302.487 3.015 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@H]3CCSC3)CC1)C2 ZINC001255290919 1106216666 /nfs/dbraw/zinc/21/66/66/1106216666.db2.gz NMBFQIMYBSZDAS-SFHVURJKSA-N 2 1 302.487 3.015 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351725 1106230019 /nfs/dbraw/zinc/23/00/19/1106230019.db2.gz YKHXXKRGLUFCFL-XLAORIBOSA-N 2 1 322.493 3.090 20 0 DGADMP CC[NH+](CC)CCCN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377631 1106235245 /nfs/dbraw/zinc/23/52/45/1106235245.db2.gz LRACRZBVAAEONH-HXUWFJFHSA-N 2 1 317.521 3.363 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255377631 1106235250 /nfs/dbraw/zinc/23/52/50/1106235250.db2.gz LRACRZBVAAEONH-HXUWFJFHSA-N 3 1 317.521 3.363 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377631 1106235252 /nfs/dbraw/zinc/23/52/52/1106235252.db2.gz LRACRZBVAAEONH-HXUWFJFHSA-N 3 1 317.521 3.363 20 0 DGADMP CC1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC001255381598 1106237032 /nfs/dbraw/zinc/23/70/32/1106237032.db2.gz QXVXRRHGNIAMPA-SFHVURJKSA-N 2 1 302.462 3.200 20 0 DGADMP CCn1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255387068 1106237385 /nfs/dbraw/zinc/23/73/85/1106237385.db2.gz PVKHJIMDYMMQHE-GOSISDBHSA-N 2 1 312.461 3.047 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](NC3(c4cccnn4)CC3)CC2)cc1 ZINC001255386461 1106238581 /nfs/dbraw/zinc/23/85/81/1106238581.db2.gz MXAGWPBXPACODO-SFHVURJKSA-N 2 1 322.456 3.110 20 0 DGADMP O=C1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255386647 1106238695 /nfs/dbraw/zinc/23/86/95/1106238695.db2.gz PCWCNJUOLOODMS-QGZVFWFLSA-N 2 1 300.446 3.142 20 0 DGADMP O=C1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255386647 1106238697 /nfs/dbraw/zinc/23/86/97/1106238697.db2.gz PCWCNJUOLOODMS-QGZVFWFLSA-N 2 1 300.446 3.142 20 0 DGADMP O[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255389679 1106239220 /nfs/dbraw/zinc/23/92/20/1106239220.db2.gz PZWTYKILLDLTRD-HSALFYBXSA-N 2 1 316.489 3.182 20 0 DGADMP COC(CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001255390579 1106239277 /nfs/dbraw/zinc/23/92/77/1106239277.db2.gz JCSUBWAWUXJFIE-GOSISDBHSA-N 2 1 320.477 3.030 20 0 DGADMP COC[C@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255397058 1106241160 /nfs/dbraw/zinc/24/11/60/1106241160.db2.gz DHMLFOGPINXCIL-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255397058 1106241163 /nfs/dbraw/zinc/24/11/63/1106241163.db2.gz DHMLFOGPINXCIL-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397058 1106241168 /nfs/dbraw/zinc/24/11/68/1106241168.db2.gz DHMLFOGPINXCIL-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC4(C3)CCOCC4)CC2)cc1 ZINC001255401830 1106244663 /nfs/dbraw/zinc/24/46/63/1106244663.db2.gz CPGUQKIUMLUEMO-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP CC[N@H+]1CCCN([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255399743 1106244945 /nfs/dbraw/zinc/24/49/45/1106244945.db2.gz YURZEKSRYJLWJK-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255399743 1106244949 /nfs/dbraw/zinc/24/49/49/1106244949.db2.gz YURZEKSRYJLWJK-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399743 1106244951 /nfs/dbraw/zinc/24/49/51/1106244951.db2.gz YURZEKSRYJLWJK-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001255408588 1106247258 /nfs/dbraw/zinc/24/72/58/1106247258.db2.gz OFDBORDKPDEJQE-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001255408588 1106247260 /nfs/dbraw/zinc/24/72/60/1106247260.db2.gz OFDBORDKPDEJQE-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001255408588 1106247263 /nfs/dbraw/zinc/24/72/63/1106247263.db2.gz OFDBORDKPDEJQE-VQTJNVASSA-N 2 1 314.473 3.296 20 0 DGADMP COC1CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255453660 1106252309 /nfs/dbraw/zinc/25/23/09/1106252309.db2.gz HEFJCORMWHHGLL-VHQLZKCGSA-N 2 1 317.477 3.111 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCN(C)C2)cc1 ZINC001255476507 1106256728 /nfs/dbraw/zinc/25/67/28/1106256728.db2.gz DWINQKWLOMLJQX-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC001255522674 1106263236 /nfs/dbraw/zinc/26/32/36/1106263236.db2.gz UFQUDCOORVJYQN-DGKWVBSXSA-N 2 1 304.400 3.381 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC001255522674 1106263239 /nfs/dbraw/zinc/26/32/39/1106263239.db2.gz UFQUDCOORVJYQN-DGKWVBSXSA-N 2 1 304.400 3.381 20 0 DGADMP Cc1cccc(N([C@H](C)CC(F)(F)F)C2CC[NH2+]CC2)[nH+]1 ZINC001255662038 1106288669 /nfs/dbraw/zinc/28/86/69/1106288669.db2.gz FHKGBVLGASTYJW-GFCCVEGCSA-N 2 1 301.356 3.289 20 0 DGADMP CN(CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001255663307 1106289088 /nfs/dbraw/zinc/28/90/88/1106289088.db2.gz DIXVRJCMXQLAHB-JLYLLQBASA-N 2 1 301.478 3.118 20 0 DGADMP COc1c(F)ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001255667518 1106290203 /nfs/dbraw/zinc/29/02/03/1106290203.db2.gz KMUFDHLPSKOSAZ-AGUYFDCRSA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001255667518 1106290205 /nfs/dbraw/zinc/29/02/05/1106290205.db2.gz KMUFDHLPSKOSAZ-AGUYFDCRSA-N 2 1 310.388 3.078 20 0 DGADMP C[NH+](C)CC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001255665759 1106290558 /nfs/dbraw/zinc/29/05/58/1106290558.db2.gz FNIQHECATXOHDV-NXEWRWPSSA-N 2 1 315.505 3.284 20 0 DGADMP Cc1ccnc(C(C)(C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255671863 1106291126 /nfs/dbraw/zinc/29/11/26/1106291126.db2.gz WJBSGYCTCXBUDG-ALOPSCKCSA-N 2 1 301.478 3.273 20 0 DGADMP COc1ccc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001255671736 1106291211 /nfs/dbraw/zinc/29/12/11/1106291211.db2.gz RXIHNYLRKQVOAT-IYHXRUFHSA-N 2 1 315.461 3.146 20 0 DGADMP CC(C)CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001255672719 1106291677 /nfs/dbraw/zinc/29/16/77/1106291677.db2.gz PWAWGUQDWXTGSZ-AYHJJNSGSA-N 2 1 308.510 3.434 20 0 DGADMP COc1cccc(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1OC ZINC001255682709 1106293839 /nfs/dbraw/zinc/29/38/39/1106293839.db2.gz KNHZLKZVHUGSJI-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1OC ZINC001255682709 1106293843 /nfs/dbraw/zinc/29/38/43/1106293843.db2.gz KNHZLKZVHUGSJI-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1OC ZINC001255682709 1106293846 /nfs/dbraw/zinc/29/38/46/1106293846.db2.gz KNHZLKZVHUGSJI-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1cccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1OC ZINC001255682709 1106293848 /nfs/dbraw/zinc/29/38/48/1106293848.db2.gz KNHZLKZVHUGSJI-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001255749681 1106308611 /nfs/dbraw/zinc/30/86/11/1106308611.db2.gz WMOWAMHTDXTLJA-ZDUSSCGKSA-N 2 1 305.422 3.061 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001255749681 1106308616 /nfs/dbraw/zinc/30/86/16/1106308616.db2.gz WMOWAMHTDXTLJA-ZDUSSCGKSA-N 2 1 305.422 3.061 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CSc3ccc(F)cc3)C[C@@H]2C1 ZINC001255751118 1106309614 /nfs/dbraw/zinc/30/96/14/1106309614.db2.gz MWPXYCCONDSQJR-KFWWJZLASA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CSc3ccc(F)cc3)C[C@@H]2C1 ZINC001255751118 1106309617 /nfs/dbraw/zinc/30/96/17/1106309617.db2.gz MWPXYCCONDSQJR-KFWWJZLASA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CSc3ccc(F)cc3)C[C@@H]2C1 ZINC001255751118 1106309618 /nfs/dbraw/zinc/30/96/18/1106309618.db2.gz MWPXYCCONDSQJR-KFWWJZLASA-N 2 1 308.466 3.190 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCCCCC1)C2 ZINC001255890323 1106339758 /nfs/dbraw/zinc/33/97/58/1106339758.db2.gz YYUCTPAPCNBGGP-UHFFFAOYSA-N 2 1 304.482 3.262 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCCCCC1)C2 ZINC001255890323 1106339760 /nfs/dbraw/zinc/33/97/60/1106339760.db2.gz YYUCTPAPCNBGGP-UHFFFAOYSA-N 2 1 304.482 3.262 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCCCCC1)C2 ZINC001255890323 1106339762 /nfs/dbraw/zinc/33/97/62/1106339762.db2.gz YYUCTPAPCNBGGP-UHFFFAOYSA-N 2 1 304.482 3.262 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCCCCC1)C2 ZINC001255890323 1106339763 /nfs/dbraw/zinc/33/97/63/1106339763.db2.gz YYUCTPAPCNBGGP-UHFFFAOYSA-N 2 1 304.482 3.262 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001255942872 1106345382 /nfs/dbraw/zinc/34/53/82/1106345382.db2.gz IUBJCVCTDQSMPD-ZDUSSCGKSA-N 2 1 300.393 3.498 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001255939706 1106345391 /nfs/dbraw/zinc/34/53/91/1106345391.db2.gz IDOFBMMEOIOYLG-SFHVURJKSA-N 3 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001255943369 1106346293 /nfs/dbraw/zinc/34/62/93/1106346293.db2.gz LSMNYDOJFUEROD-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001255943369 1106346295 /nfs/dbraw/zinc/34/62/95/1106346295.db2.gz LSMNYDOJFUEROD-AZUAARDMSA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001255946378 1106346424 /nfs/dbraw/zinc/34/64/24/1106346424.db2.gz UHILQWJTPOEDOZ-CQSZACIVSA-N 2 1 301.434 3.076 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1cccc(C(=O)OC)c1 ZINC001255949307 1106347009 /nfs/dbraw/zinc/34/70/09/1106347009.db2.gz VYUNCSJEIYPYHE-GJZGRUSLSA-N 2 1 306.450 3.244 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH+](CC)CC)cc1 ZINC001255949976 1106347021 /nfs/dbraw/zinc/34/70/21/1106347021.db2.gz DJJCJQUVIZMGKC-HNNXBMFYSA-N 2 1 306.450 3.073 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC001255952146 1106347922 /nfs/dbraw/zinc/34/79/22/1106347922.db2.gz TUYKXOSMACYESY-YOEHRIQHSA-N 2 1 306.450 3.229 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC001255954605 1106348980 /nfs/dbraw/zinc/34/89/80/1106348980.db2.gz FVJLLVALXGUIOP-GOSISDBHSA-N 2 1 318.505 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001255955469 1106349743 /nfs/dbraw/zinc/34/97/43/1106349743.db2.gz UONNKYNJBXFCRF-IEBWSBKVSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001255955471 1106349855 /nfs/dbraw/zinc/34/98/55/1106349855.db2.gz UONNKYNJBXFCRF-PKOBYXMFSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCCC(=O)c1cccnc1 ZINC001255963739 1106350525 /nfs/dbraw/zinc/35/05/25/1106350525.db2.gz JVSVTIPJBJWTDN-INIZCTEOSA-N 2 1 305.466 3.097 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001255963739 1106350528 /nfs/dbraw/zinc/35/05/28/1106350528.db2.gz JVSVTIPJBJWTDN-INIZCTEOSA-N 2 1 305.466 3.097 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2cccnc2)CC1 ZINC001255960886 1106351355 /nfs/dbraw/zinc/35/13/55/1106351355.db2.gz JLAFZDPKMZXAGQ-MRXNPFEDSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001255965324 1106351364 /nfs/dbraw/zinc/35/13/64/1106351364.db2.gz ZQPIOACEPDZODP-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001255965324 1106351365 /nfs/dbraw/zinc/35/13/65/1106351365.db2.gz ZQPIOACEPDZODP-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001255973047 1106353288 /nfs/dbraw/zinc/35/32/88/1106353288.db2.gz XINHLPBBOBJNLB-FUHWJXTLSA-N 2 1 302.462 3.312 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001255973047 1106353290 /nfs/dbraw/zinc/35/32/90/1106353290.db2.gz XINHLPBBOBJNLB-FUHWJXTLSA-N 2 1 302.462 3.312 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080865 1106366090 /nfs/dbraw/zinc/36/60/90/1106366090.db2.gz FQDRAODCDDFAQB-INIZCTEOSA-N 2 1 300.446 3.111 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080865 1106366093 /nfs/dbraw/zinc/36/60/93/1106366093.db2.gz FQDRAODCDDFAQB-INIZCTEOSA-N 2 1 300.446 3.111 20 0 DGADMP Oc1cccc(C2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256082035 1106367146 /nfs/dbraw/zinc/36/71/46/1106367146.db2.gz QHEUZMRMBRZSAQ-UHFFFAOYSA-N 2 1 300.446 3.198 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)CC1 ZINC001256195051 1106388962 /nfs/dbraw/zinc/38/89/62/1106388962.db2.gz XGSWBTZQHDKSGC-UAPYVXQJSA-N 2 1 302.462 3.198 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(Cc3ccc(F)cc3F)CC2)CC1 ZINC001256211405 1106391202 /nfs/dbraw/zinc/39/12/02/1106391202.db2.gz WJJKACBATNTXIB-UHFFFAOYSA-N 2 1 308.416 3.314 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001256220861 1106392499 /nfs/dbraw/zinc/39/24/99/1106392499.db2.gz QWTWOJZQZYTOKP-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001256220861 1106392502 /nfs/dbraw/zinc/39/25/02/1106392502.db2.gz QWTWOJZQZYTOKP-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307330 1106403625 /nfs/dbraw/zinc/40/36/25/1106403625.db2.gz RRYIEBFEZKYUCO-UHFFFAOYSA-N 2 1 309.885 3.192 20 0 DGADMP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2)cn1 ZINC001256324561 1106406171 /nfs/dbraw/zinc/40/61/71/1106406171.db2.gz MTUDMYZKGVZLDZ-UHFFFAOYSA-N 2 1 324.472 3.194 20 0 DGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CCC(C)C)CC2)C1 ZINC001256372252 1106411815 /nfs/dbraw/zinc/41/18/15/1106411815.db2.gz JRITXAWFDHQRNV-IAGOWNOFSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001256403761 1106416213 /nfs/dbraw/zinc/41/62/13/1106416213.db2.gz AKKCFMACWRBEIW-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001256403761 1106416215 /nfs/dbraw/zinc/41/62/15/1106416215.db2.gz AKKCFMACWRBEIW-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001256422462 1106419054 /nfs/dbraw/zinc/41/90/54/1106419054.db2.gz RPNIITLUTXFHLN-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256422462 1106419056 /nfs/dbraw/zinc/41/90/56/1106419056.db2.gz RPNIITLUTXFHLN-NZSAHSFTSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@H]1C[C@H](NC(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256532004 1106435259 /nfs/dbraw/zinc/43/52/59/1106435259.db2.gz WMMCNOXUCCXKJY-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC001256532004 1106435260 /nfs/dbraw/zinc/43/52/60/1106435260.db2.gz WMMCNOXUCCXKJY-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536972 1106436378 /nfs/dbraw/zinc/43/63/78/1106436378.db2.gz LUPHPZJBVJGVTN-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CCCC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536972 1106436379 /nfs/dbraw/zinc/43/63/79/1106436379.db2.gz LUPHPZJBVJGVTN-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CC(C)N([C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH3+] ZINC001256536604 1106436809 /nfs/dbraw/zinc/43/68/09/1106436809.db2.gz IHBAZFBXASQQQF-MJGOQNOKSA-N 2 1 317.521 3.487 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536798 1106437095 /nfs/dbraw/zinc/43/70/95/1106437095.db2.gz FYTPLXJBSNYVDF-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536798 1106437096 /nfs/dbraw/zinc/43/70/96/1106437096.db2.gz FYTPLXJBSNYVDF-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536798 1106437097 /nfs/dbraw/zinc/43/70/97/1106437097.db2.gz FYTPLXJBSNYVDF-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536798 1106437099 /nfs/dbraw/zinc/43/70/99/1106437099.db2.gz FYTPLXJBSNYVDF-MISYRCLQSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536800 1106437246 /nfs/dbraw/zinc/43/72/46/1106437246.db2.gz FYTPLXJBSNYVDF-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536800 1106437249 /nfs/dbraw/zinc/43/72/49/1106437249.db2.gz FYTPLXJBSNYVDF-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536800 1106437251 /nfs/dbraw/zinc/43/72/51/1106437251.db2.gz FYTPLXJBSNYVDF-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001256536800 1106437254 /nfs/dbraw/zinc/43/72/54/1106437254.db2.gz FYTPLXJBSNYVDF-YZGWKJHDSA-N 2 1 316.489 3.276 20 0 DGADMP CO[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540017 1106438347 /nfs/dbraw/zinc/43/83/47/1106438347.db2.gz ZDLDJGHKETWHCF-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540017 1106438350 /nfs/dbraw/zinc/43/83/50/1106438350.db2.gz ZDLDJGHKETWHCF-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540017 1106438352 /nfs/dbraw/zinc/43/83/52/1106438352.db2.gz ZDLDJGHKETWHCF-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256540017 1106438355 /nfs/dbraw/zinc/43/83/55/1106438355.db2.gz ZDLDJGHKETWHCF-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CCCO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541795 1106439829 /nfs/dbraw/zinc/43/98/29/1106439829.db2.gz NJYSSPANLRGBPM-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541795 1106439830 /nfs/dbraw/zinc/43/98/30/1106439830.db2.gz NJYSSPANLRGBPM-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541795 1106439832 /nfs/dbraw/zinc/43/98/32/1106439832.db2.gz NJYSSPANLRGBPM-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541795 1106439834 /nfs/dbraw/zinc/43/98/34/1106439834.db2.gz NJYSSPANLRGBPM-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549935 1106441288 /nfs/dbraw/zinc/44/12/88/1106441288.db2.gz KAQSOWVMNOBKDR-IEBWSBKVSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549935 1106441292 /nfs/dbraw/zinc/44/12/92/1106441292.db2.gz KAQSOWVMNOBKDR-IEBWSBKVSA-N 2 1 314.473 3.294 20 0 DGADMP COC[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556702 1106443310 /nfs/dbraw/zinc/44/33/10/1106443310.db2.gz GJQJYZQLXFRUED-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556702 1106443311 /nfs/dbraw/zinc/44/33/11/1106443311.db2.gz GJQJYZQLXFRUED-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556702 1106443315 /nfs/dbraw/zinc/44/33/15/1106443315.db2.gz GJQJYZQLXFRUED-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556702 1106443316 /nfs/dbraw/zinc/44/33/16/1106443316.db2.gz GJQJYZQLXFRUED-WDSOQIARSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556295 1106443780 /nfs/dbraw/zinc/44/37/80/1106443780.db2.gz YLZFRKYRISTIGW-YKXHTNLXSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556295 1106443781 /nfs/dbraw/zinc/44/37/81/1106443781.db2.gz YLZFRKYRISTIGW-YKXHTNLXSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556295 1106443784 /nfs/dbraw/zinc/44/37/84/1106443784.db2.gz YLZFRKYRISTIGW-YKXHTNLXSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001256556295 1106443786 /nfs/dbraw/zinc/44/37/86/1106443786.db2.gz YLZFRKYRISTIGW-YKXHTNLXSA-N 2 1 314.473 3.006 20 0 DGADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1 ZINC001256571068 1106447709 /nfs/dbraw/zinc/44/77/09/1106447709.db2.gz BOWRTXGNYMWFDR-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1 ZINC001256571068 1106447712 /nfs/dbraw/zinc/44/77/12/1106447712.db2.gz BOWRTXGNYMWFDR-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256575416 1106448429 /nfs/dbraw/zinc/44/84/29/1106448429.db2.gz NCDVKQHSZBDFGL-INIZCTEOSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001256572751 1106448648 /nfs/dbraw/zinc/44/86/48/1106448648.db2.gz WWLIECGXRMVFBH-GOSISDBHSA-N 2 1 317.477 3.188 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001256572751 1106448651 /nfs/dbraw/zinc/44/86/51/1106448651.db2.gz WWLIECGXRMVFBH-GOSISDBHSA-N 2 1 317.477 3.188 20 0 DGADMP Oc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256596658 1106451256 /nfs/dbraw/zinc/45/12/56/1106451256.db2.gz DHWNGKVJPZMJNG-UHFFFAOYSA-N 2 1 310.441 3.189 20 0 DGADMP COCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256603513 1106452779 /nfs/dbraw/zinc/45/27/79/1106452779.db2.gz FNSCRKMNADPRQA-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP COC1(C)CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256603320 1106452816 /nfs/dbraw/zinc/45/28/16/1106452816.db2.gz BWZROKXPNABWSY-UHFFFAOYSA-N 2 1 302.462 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001256604254 1106452867 /nfs/dbraw/zinc/45/28/67/1106452867.db2.gz NSESVCWCLSGRCN-ICSRJNTNSA-N 2 1 314.473 3.152 20 0 DGADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC001256619123 1106455366 /nfs/dbraw/zinc/45/53/66/1106455366.db2.gz UWTWDUUPEDHLNL-MQVJKMGUSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001256619123 1106455369 /nfs/dbraw/zinc/45/53/69/1106455369.db2.gz UWTWDUUPEDHLNL-MQVJKMGUSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001256628993 1106456722 /nfs/dbraw/zinc/45/67/22/1106456722.db2.gz UMQMOJCHRGVYPL-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001256628993 1106456726 /nfs/dbraw/zinc/45/67/26/1106456726.db2.gz UMQMOJCHRGVYPL-DFNIBXOVSA-N 2 1 313.489 3.051 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256649936 1106462277 /nfs/dbraw/zinc/46/22/77/1106462277.db2.gz FPQBEVUEJUSJRT-GOSISDBHSA-N 2 1 316.489 3.359 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256719235 1106472000 /nfs/dbraw/zinc/47/20/00/1106472000.db2.gz OJTVBMHFVXKAPN-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H](Cc1ccncc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256745066 1106478756 /nfs/dbraw/zinc/47/87/56/1106478756.db2.gz GBMPEHMUNDFDID-NQIIRXRSSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256745066 1106478757 /nfs/dbraw/zinc/47/87/57/1106478757.db2.gz GBMPEHMUNDFDID-NQIIRXRSSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256745066 1106478759 /nfs/dbraw/zinc/47/87/59/1106478759.db2.gz GBMPEHMUNDFDID-NQIIRXRSSA-N 2 1 323.484 3.467 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256784069 1106482191 /nfs/dbraw/zinc/48/21/91/1106482191.db2.gz BCULRNDBJWKGRX-QRQLOZEOSA-N 2 1 302.462 3.228 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001256860678 1106499020 /nfs/dbraw/zinc/49/90/20/1106499020.db2.gz HLESHYBBZRFUGQ-FQEVSTJZSA-N 2 1 323.440 3.204 20 0 DGADMP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256896227 1106503573 /nfs/dbraw/zinc/50/35/73/1106503573.db2.gz ACAUBIJHMHKXRS-GOSISDBHSA-N 3 1 307.526 3.103 20 0 DGADMP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256896227 1106503576 /nfs/dbraw/zinc/50/35/76/1106503576.db2.gz ACAUBIJHMHKXRS-GOSISDBHSA-N 3 1 307.526 3.103 20 0 DGADMP C[N@H+](CCN[C@H]1CCC[NH+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899782 1106504473 /nfs/dbraw/zinc/50/44/73/1106504473.db2.gz HXRRNYQZOXAMML-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+](CCN[C@H]1CCC[NH+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899782 1106504477 /nfs/dbraw/zinc/50/44/77/1106504477.db2.gz HXRRNYQZOXAMML-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@H]1CCC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899782 1106504480 /nfs/dbraw/zinc/50/44/80/1106504480.db2.gz HXRRNYQZOXAMML-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@H]1CCC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC001256899782 1106504483 /nfs/dbraw/zinc/50/44/83/1106504483.db2.gz HXRRNYQZOXAMML-IBGZPJMESA-N 2 1 315.505 3.115 20 0 DGADMP Oc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256903356 1106507128 /nfs/dbraw/zinc/50/71/28/1106507128.db2.gz AVVJZRQTKFGNCU-ROUUACIJSA-N 2 1 314.473 3.246 20 0 DGADMP Oc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC001256903356 1106507130 /nfs/dbraw/zinc/50/71/30/1106507130.db2.gz AVVJZRQTKFGNCU-ROUUACIJSA-N 2 1 314.473 3.246 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2CCC[NH+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911321 1106510264 /nfs/dbraw/zinc/51/02/64/1106510264.db2.gz LQTQRLFJPMKBCS-ZHALLVOQSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911321 1106510267 /nfs/dbraw/zinc/51/02/67/1106510267.db2.gz LQTQRLFJPMKBCS-ZHALLVOQSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)[C@H](C)C1 ZINC001256911321 1106510270 /nfs/dbraw/zinc/51/02/70/1106510270.db2.gz LQTQRLFJPMKBCS-ZHALLVOQSA-N 2 1 307.526 3.102 20 0 DGADMP C([C@H]1CCCCN1[C@@H]1CCC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC001256919634 1106512460 /nfs/dbraw/zinc/51/24/60/1106512460.db2.gz YLEAKFRZMPCAGZ-WOJBJXKFSA-N 2 1 319.537 3.344 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001257059906 1106531621 /nfs/dbraw/zinc/53/16/21/1106531621.db2.gz IPEZZXAQXKYIDO-FGTMMUONSA-N 2 1 322.493 3.059 20 0 DGADMP CCC[C@H](CC)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001257259807 1106557560 /nfs/dbraw/zinc/55/75/60/1106557560.db2.gz NIZCBYVHOMXDSN-CEXWTWQISA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@H](CC)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001257259807 1106557562 /nfs/dbraw/zinc/55/75/62/1106557562.db2.gz NIZCBYVHOMXDSN-CEXWTWQISA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@H](CC)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001257259807 1106557564 /nfs/dbraw/zinc/55/75/64/1106557564.db2.gz NIZCBYVHOMXDSN-CEXWTWQISA-N 2 1 308.510 3.245 20 0 DGADMP CCCCCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001257365117 1106573989 /nfs/dbraw/zinc/57/39/89/1106573989.db2.gz HSTPZHCFNNJVPM-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001257365117 1106573991 /nfs/dbraw/zinc/57/39/91/1106573991.db2.gz HSTPZHCFNNJVPM-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001257386074 1106579031 /nfs/dbraw/zinc/57/90/31/1106579031.db2.gz BSTZNKIMYPEAQT-IAGOWNOFSA-N 2 1 312.498 3.339 20 0 DGADMP CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445980 1106591509 /nfs/dbraw/zinc/59/15/09/1106591509.db2.gz WANZGOMJBCBRHC-CAMMJAKZSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445980 1106591513 /nfs/dbraw/zinc/59/15/13/1106591513.db2.gz WANZGOMJBCBRHC-CAMMJAKZSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445980 1106591517 /nfs/dbraw/zinc/59/15/17/1106591517.db2.gz WANZGOMJBCBRHC-CAMMJAKZSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001257445980 1106591522 /nfs/dbraw/zinc/59/15/22/1106591522.db2.gz WANZGOMJBCBRHC-CAMMJAKZSA-N 2 1 301.478 3.412 20 0 DGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257478485 1106596530 /nfs/dbraw/zinc/59/65/30/1106596530.db2.gz NTHHHQVBXUWYOI-ZSYWTGECSA-N 2 1 309.542 3.302 20 0 DGADMP CCCCC[C@H](C)[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257515712 1106600968 /nfs/dbraw/zinc/60/09/68/1106600968.db2.gz UGAJIJXAXXWHMY-INIZCTEOSA-N 2 1 321.513 3.293 20 0 DGADMP CCCCC[C@H](C)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257515712 1106600970 /nfs/dbraw/zinc/60/09/70/1106600970.db2.gz UGAJIJXAXXWHMY-INIZCTEOSA-N 2 1 321.513 3.293 20 0 DGADMP COC(=O)C1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257856532 1106635302 /nfs/dbraw/zinc/63/53/02/1106635302.db2.gz KWZOSAFHOFODLZ-PQCUMEFNSA-N 2 1 324.509 3.336 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257966127 1106652855 /nfs/dbraw/zinc/65/28/55/1106652855.db2.gz HCFKXQGOUOCBNU-INIZCTEOSA-N 2 1 310.869 3.307 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257966127 1106652857 /nfs/dbraw/zinc/65/28/57/1106652857.db2.gz HCFKXQGOUOCBNU-INIZCTEOSA-N 2 1 310.869 3.307 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001258007618 1106656593 /nfs/dbraw/zinc/65/65/93/1106656593.db2.gz JVZFZZKQOAGMGY-GOSISDBHSA-N 2 1 305.441 3.382 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC[NH+](CC(C)C)CC2)cc1OC ZINC001258014710 1106658471 /nfs/dbraw/zinc/65/84/71/1106658471.db2.gz RAWAAZAHFVPXTM-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](CC(C)C)CC2)cc1OC ZINC001258014710 1106658476 /nfs/dbraw/zinc/65/84/76/1106658476.db2.gz RAWAAZAHFVPXTM-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258104470 1106674049 /nfs/dbraw/zinc/67/40/49/1106674049.db2.gz SUPJOLCTSWRGRV-BBWFWOEESA-N 2 1 312.498 3.066 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258108850 1106674635 /nfs/dbraw/zinc/67/46/35/1106674635.db2.gz BUAINIGQKPBICC-DLBZAZTESA-N 2 1 320.477 3.205 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258113528 1106675523 /nfs/dbraw/zinc/67/55/23/1106675523.db2.gz UDWJFJMTJPYHRE-WMZOPIPTSA-N 2 1 324.509 3.353 20 0 DGADMP CCOC(=O)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258113528 1106675529 /nfs/dbraw/zinc/67/55/29/1106675529.db2.gz UDWJFJMTJPYHRE-WMZOPIPTSA-N 2 1 324.509 3.353 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001258124832 1106677217 /nfs/dbraw/zinc/67/72/17/1106677217.db2.gz AWQQHESRKGOVSP-MRXNPFEDSA-N 2 1 312.498 3.161 20 0 DGADMP COCC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258140646 1106680043 /nfs/dbraw/zinc/68/00/43/1106680043.db2.gz ARMUQICOULRFMF-UHFFFAOYSA-N 2 1 316.489 3.052 20 0 DGADMP C[C@@H]1CC([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C[C@@H](C)C1 ZINC001258168993 1106685520 /nfs/dbraw/zinc/68/55/20/1106685520.db2.gz RRRUEYGNDHPABX-HOTGVXAUSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258181567 1106688996 /nfs/dbraw/zinc/68/89/96/1106688996.db2.gz DKKFOIXXXLJDDT-KBAYOESNSA-N 2 1 313.445 3.378 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258190111 1106692213 /nfs/dbraw/zinc/69/22/13/1106692213.db2.gz UPVHARPTUJNCCB-CVEARBPZSA-N 2 1 320.477 3.222 20 0 DGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CCSC)CC1 ZINC001258206463 1106696724 /nfs/dbraw/zinc/69/67/24/1106696724.db2.gz IAJUIIIOQZMYOI-CQSZACIVSA-N 2 1 308.491 3.087 20 0 DGADMP CSCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258223002 1106700652 /nfs/dbraw/zinc/70/06/52/1106700652.db2.gz UHPNYVSISBWLJZ-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP CSCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258223002 1106700657 /nfs/dbraw/zinc/70/06/57/1106700657.db2.gz UHPNYVSISBWLJZ-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP CSCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258223002 1106700661 /nfs/dbraw/zinc/70/06/61/1106700661.db2.gz UHPNYVSISBWLJZ-NXHRZFHOSA-N 2 1 304.503 3.192 20 0 DGADMP COC(=O)CC[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258362731 1106722759 /nfs/dbraw/zinc/72/27/59/1106722759.db2.gz ZWNFNOJJRHNTFL-DJIMGWMZSA-N 2 1 310.482 3.090 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCc3ccc(OC)cc3)C[C@@H]2C1 ZINC001258407006 1106732739 /nfs/dbraw/zinc/73/27/39/1106732739.db2.gz VYVZCNICOUFWSN-QRQLOZEOSA-N 2 1 316.489 3.290 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCc3ccc(OC)cc3)C[C@@H]2C1 ZINC001258407006 1106732742 /nfs/dbraw/zinc/73/27/42/1106732742.db2.gz VYVZCNICOUFWSN-QRQLOZEOSA-N 2 1 316.489 3.290 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCc3ccc(OC)cc3)C[C@@H]2C1 ZINC001258407006 1106732749 /nfs/dbraw/zinc/73/27/49/1106732749.db2.gz VYVZCNICOUFWSN-QRQLOZEOSA-N 2 1 316.489 3.290 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(c3cccc(F)c3)CC1)C2 ZINC001258412019 1106735968 /nfs/dbraw/zinc/73/59/68/1106735968.db2.gz UFXLPRVUKQRMRF-BCDXTJNWSA-N 2 1 317.452 3.009 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258508460 1106787802 /nfs/dbraw/zinc/78/78/02/1106787802.db2.gz GLZBMJGPLOUYAU-GOSISDBHSA-N 2 1 315.505 3.496 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C2CCN(c3ccccc3)CC2)CC1 ZINC001258512184 1106790068 /nfs/dbraw/zinc/79/00/68/1106790068.db2.gz VPHBNOMIPWXLJQ-UHFFFAOYSA-N 2 1 315.505 3.462 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CCC(C)(C)C2)c2c1CC[NH2+]C2 ZINC001258601174 1106840085 /nfs/dbraw/zinc/84/00/85/1106840085.db2.gz QTMJTYMXGDHEQR-AWEZNQCLSA-N 2 1 304.482 3.120 20 0 DGADMP C[C@H](Cc1cccnc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001258629699 1106867181 /nfs/dbraw/zinc/86/71/81/1106867181.db2.gz GGYXOCWEWXEJIP-WIYYLYMNSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001258629699 1106867194 /nfs/dbraw/zinc/86/71/94/1106867194.db2.gz GGYXOCWEWXEJIP-WIYYLYMNSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258629699 1106867209 /nfs/dbraw/zinc/86/72/09/1106867209.db2.gz GGYXOCWEWXEJIP-WIYYLYMNSA-N 2 1 323.484 3.467 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001320265750 1106942767 /nfs/dbraw/zinc/94/27/67/1106942767.db2.gz QJNBLUYSJKIQCJ-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001320265750 1106942777 /nfs/dbraw/zinc/94/27/77/1106942777.db2.gz QJNBLUYSJKIQCJ-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)cc1F ZINC001320310458 1106957185 /nfs/dbraw/zinc/95/71/85/1106957185.db2.gz LFNMYZMXHHCZGD-BMGDILEWSA-N 2 1 322.468 3.475 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001258775868 1106967124 /nfs/dbraw/zinc/96/71/24/1106967124.db2.gz HYGUQXWRAMSVBJ-MRXNPFEDSA-N 2 1 310.482 3.057 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001258775868 1106967136 /nfs/dbraw/zinc/96/71/36/1106967136.db2.gz HYGUQXWRAMSVBJ-MRXNPFEDSA-N 2 1 310.482 3.057 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)CC1 ZINC001258777956 1106971278 /nfs/dbraw/zinc/97/12/78/1106971278.db2.gz PGURKKFMOCYMTE-GOSISDBHSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)CC1 ZINC001258777956 1106971289 /nfs/dbraw/zinc/97/12/89/1106971289.db2.gz PGURKKFMOCYMTE-GOSISDBHSA-N 2 1 317.477 3.108 20 0 DGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)C1CCC(C(C)C)CC1 ZINC001258803873 1106990101 /nfs/dbraw/zinc/99/01/01/1106990101.db2.gz LFBJIHCFRWMJIF-UHFFFAOYSA-N 2 1 312.498 3.018 20 0 DGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258835340 1107016422 /nfs/dbraw/zinc/01/64/22/1107016422.db2.gz QYPJFEVGDKDIQJ-RBUKOAKNSA-N 2 1 309.542 3.157 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001258895485 1107043059 /nfs/dbraw/zinc/04/30/59/1107043059.db2.gz PHQKCSTZPRAYNX-HNNXBMFYSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1C[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258895485 1107043073 /nfs/dbraw/zinc/04/30/73/1107043073.db2.gz PHQKCSTZPRAYNX-HNNXBMFYSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258908471 1107054788 /nfs/dbraw/zinc/05/47/88/1107054788.db2.gz VYTKKAKCWHAWTO-QLFBSQMISA-N 2 1 324.431 3.132 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2ccc(OC)c3F)C1 ZINC001261138658 1107351826 /nfs/dbraw/zinc/35/18/26/1107351826.db2.gz UNJVTFFVRSTAGX-CJNGLKHVSA-N 2 1 306.425 3.143 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001321529580 1107375176 /nfs/dbraw/zinc/37/51/76/1107375176.db2.gz GLFXUSKAPOLHPN-UHFFFAOYSA-N 2 1 312.461 3.050 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2CCC(O)CC2)CC1)CC1CC1 ZINC001261637998 1107487650 /nfs/dbraw/zinc/48/76/50/1107487650.db2.gz MJQAMXYYASDUDA-UHFFFAOYSA-N 2 1 322.537 3.372 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC001262009493 1107572319 /nfs/dbraw/zinc/57/23/19/1107572319.db2.gz YQSPLENWHOLLSU-ZBFHGGJFSA-N 2 1 308.491 3.290 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCC1 ZINC001262009493 1107572325 /nfs/dbraw/zinc/57/23/25/1107572325.db2.gz YQSPLENWHOLLSU-ZBFHGGJFSA-N 2 1 308.491 3.290 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@H]2C1 ZINC001262378949 1107706593 /nfs/dbraw/zinc/70/65/93/1107706593.db2.gz PABCUODGVGEWEM-MGPQQGTHSA-N 2 1 312.379 3.266 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC001322861154 1107770799 /nfs/dbraw/zinc/77/07/99/1107770799.db2.gz GTCGNJGJQUMQRK-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC001322861154 1107770813 /nfs/dbraw/zinc/77/08/13/1107770813.db2.gz GTCGNJGJQUMQRK-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC001322861154 1107770825 /nfs/dbraw/zinc/77/08/25/1107770825.db2.gz GTCGNJGJQUMQRK-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379625634 1108032725 /nfs/dbraw/zinc/03/27/25/1108032725.db2.gz KZVYODPKYHBPOF-RLLQIKCJSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379625634 1108032737 /nfs/dbraw/zinc/03/27/37/1108032737.db2.gz KZVYODPKYHBPOF-RLLQIKCJSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379625634 1108032751 /nfs/dbraw/zinc/03/27/51/1108032751.db2.gz KZVYODPKYHBPOF-RLLQIKCJSA-N 2 1 315.505 3.112 20 0 DGADMP C[NH+](C)C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301723 1108094739 /nfs/dbraw/zinc/09/47/39/1108094739.db2.gz FIZRPIXOFAXJBL-LEWJYISDSA-N 2 1 323.484 3.153 20 0 DGADMP C[NH+](C)C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381301723 1108094753 /nfs/dbraw/zinc/09/47/53/1108094753.db2.gz FIZRPIXOFAXJBL-LEWJYISDSA-N 2 1 323.484 3.153 20 0 DGADMP C[C@@H]1CCc2nc(CN3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)sc2C1 ZINC001324456062 1108295784 /nfs/dbraw/zinc/29/57/84/1108295784.db2.gz NKSFSZMCETWXIU-YCPHGPKFSA-N 2 1 319.518 3.184 20 0 DGADMP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001264126761 1108388054 /nfs/dbraw/zinc/38/80/54/1108388054.db2.gz YIHLADRNXABNGM-IPLHWJFFSA-N 2 1 323.525 3.045 20 0 DGADMP Cc1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc(C)[nH+]1 ZINC001319277392 1108397466 /nfs/dbraw/zinc/39/74/66/1108397466.db2.gz JFBORTLSHKHMCQ-UHFFFAOYSA-N 2 1 323.396 3.180 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccc1Br ZINC000386356772 1108442426 /nfs/dbraw/zinc/44/24/26/1108442426.db2.gz NVGJUSRVSUGSOW-CQSZACIVSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1Br ZINC000386356772 1108442432 /nfs/dbraw/zinc/44/24/32/1108442432.db2.gz NVGJUSRVSUGSOW-CQSZACIVSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc3c(n2)CCC3)n1 ZINC001324739447 1108447528 /nfs/dbraw/zinc/44/75/28/1108447528.db2.gz IXTNXUHPMURUKP-SFHVURJKSA-N 2 1 322.456 3.350 20 0 DGADMP CS[C@@H](C)CCC(=O)Nc1cnccc1-n1ccnc1C ZINC001319781414 1108633391 /nfs/dbraw/zinc/63/33/91/1108633391.db2.gz GXQFNWOMISXIMG-NSHDSACASA-N 2 1 304.419 3.046 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319948713 1108711830 /nfs/dbraw/zinc/71/18/30/1108711830.db2.gz QCWULPCAFHIDAF-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319948713 1108711838 /nfs/dbraw/zinc/71/18/38/1108711838.db2.gz QCWULPCAFHIDAF-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CC(C)[NH2+]C1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001265736313 1108985702 /nfs/dbraw/zinc/98/57/02/1108985702.db2.gz PGTJYFXQARIZCS-UHFFFAOYSA-N 2 1 323.525 3.065 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282667591 1109548259 /nfs/dbraw/zinc/54/82/59/1109548259.db2.gz YWYGDKJVMKRYTD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282667591 1109548260 /nfs/dbraw/zinc/54/82/60/1109548260.db2.gz YWYGDKJVMKRYTD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001282667591 1109548264 /nfs/dbraw/zinc/54/82/64/1109548264.db2.gz YWYGDKJVMKRYTD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001282683719 1109551984 /nfs/dbraw/zinc/55/19/84/1109551984.db2.gz YFNMXUAIVZAVQQ-DKFQHHCZSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001282683719 1109551987 /nfs/dbraw/zinc/55/19/87/1109551987.db2.gz YFNMXUAIVZAVQQ-DKFQHHCZSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001282683719 1109551989 /nfs/dbraw/zinc/55/19/89/1109551989.db2.gz YFNMXUAIVZAVQQ-DKFQHHCZSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001305973980 1111213998 /nfs/dbraw/zinc/21/39/98/1111213998.db2.gz UXSQSVFDZAPSOB-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001307456782 1111301476 /nfs/dbraw/zinc/30/14/76/1111301476.db2.gz XEUDJUGVLVVULP-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCC1 ZINC001307479156 1111303123 /nfs/dbraw/zinc/30/31/23/1111303123.db2.gz UEWJREATKLUJLR-YQVWRLOYSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CCC1 ZINC001307479156 1111303126 /nfs/dbraw/zinc/30/31/26/1111303126.db2.gz UEWJREATKLUJLR-YQVWRLOYSA-N 2 1 308.510 3.388 20 0 DGADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001307697341 1111328616 /nfs/dbraw/zinc/32/86/16/1111328616.db2.gz SJMCJWSNLUPXIM-LJQANCHMSA-N 2 1 318.505 3.382 20 0 DGADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001307697341 1111328618 /nfs/dbraw/zinc/32/86/18/1111328618.db2.gz SJMCJWSNLUPXIM-LJQANCHMSA-N 2 1 318.505 3.382 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC001307703794 1111329911 /nfs/dbraw/zinc/32/99/11/1111329911.db2.gz ZJLDPBKEKGTJDH-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001307705573 1111330378 /nfs/dbraw/zinc/33/03/78/1111330378.db2.gz IDWQHTCRTHRWLE-BHIYHBOVSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001307705573 1111330383 /nfs/dbraw/zinc/33/03/83/1111330383.db2.gz IDWQHTCRTHRWLE-BHIYHBOVSA-N 2 1 318.505 3.284 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)CCOc1ccccc1OC ZINC001307961775 1111360665 /nfs/dbraw/zinc/36/06/65/1111360665.db2.gz AJEPZJWPZQHXPE-UHFFFAOYSA-N 2 1 320.477 3.272 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307987287 1111362683 /nfs/dbraw/zinc/36/26/83/1111362683.db2.gz IGYCEBJOVWRFDN-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307987287 1111362686 /nfs/dbraw/zinc/36/26/86/1111362686.db2.gz IGYCEBJOVWRFDN-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1cccc(Br)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307987287 1111362688 /nfs/dbraw/zinc/36/26/88/1111362688.db2.gz IGYCEBJOVWRFDN-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1cccc(Br)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307987287 1111362693 /nfs/dbraw/zinc/36/26/93/1111362693.db2.gz IGYCEBJOVWRFDN-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC001307978698 1111363182 /nfs/dbraw/zinc/36/31/82/1111363182.db2.gz RVNZYHWOMLXAAB-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC001307978698 1111363187 /nfs/dbraw/zinc/36/31/87/1111363187.db2.gz RVNZYHWOMLXAAB-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001308023107 1111367335 /nfs/dbraw/zinc/36/73/35/1111367335.db2.gz FNBVMEDWTAYNOR-QYZOEREBSA-N 2 1 318.505 3.251 20 0 DGADMP C[C@]12C[NH+](C[Si](C)(C)C)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001308061655 1111372659 /nfs/dbraw/zinc/37/26/59/1111372659.db2.gz WJJWBXMYIUYVKD-MSOLQXFVSA-N 2 1 302.538 3.318 20 0 DGADMP C[C@]12C[NH+](C[Si](C)(C)C)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001308061655 1111372662 /nfs/dbraw/zinc/37/26/62/1111372662.db2.gz WJJWBXMYIUYVKD-MSOLQXFVSA-N 2 1 302.538 3.318 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[Si](C)(C)C)C2 ZINC001308061655 1111372666 /nfs/dbraw/zinc/37/26/66/1111372666.db2.gz WJJWBXMYIUYVKD-MSOLQXFVSA-N 2 1 302.538 3.318 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[Si](C)(C)C)C2 ZINC001308061655 1111372667 /nfs/dbraw/zinc/37/26/67/1111372667.db2.gz WJJWBXMYIUYVKD-MSOLQXFVSA-N 2 1 302.538 3.318 20 0 DGADMP CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001308156893 1111386363 /nfs/dbraw/zinc/38/63/63/1111386363.db2.gz RQSXYFAMJJTFRE-MOPGFXCFSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC001308202293 1111396645 /nfs/dbraw/zinc/39/66/45/1111396645.db2.gz FNGKHTQWSZVASY-OAHLLOKOSA-N 2 1 318.440 3.075 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn3ccccc3n2)c1 ZINC001308206395 1111397770 /nfs/dbraw/zinc/39/77/70/1111397770.db2.gz XPKNKAQLFZASQB-UHFFFAOYSA-N 2 1 322.456 3.466 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001308233007 1111401982 /nfs/dbraw/zinc/40/19/82/1111401982.db2.gz QZQHAQYQLOLHLP-UHFFFAOYSA-N 2 1 300.793 3.183 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc2ccccn12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308367457 1111422509 /nfs/dbraw/zinc/42/25/09/1111422509.db2.gz FDXWSOZVHUAMAZ-CVEARBPZSA-N 2 1 312.461 3.077 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC001308578756 1111447710 /nfs/dbraw/zinc/44/77/10/1111447710.db2.gz XBJPNUSHVNJYJH-DLBZAZTESA-N 2 1 322.518 3.368 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308919467 1111493320 /nfs/dbraw/zinc/49/33/20/1111493320.db2.gz RTQICUPSPOIMID-INIZCTEOSA-N 2 1 310.445 3.142 20 0 DGADMP CCO[C@@H](C[NH2+][C@H](C)Cc1ccc2c(c1)CCCC2)C[NH+](C)C ZINC001308936499 1111496613 /nfs/dbraw/zinc/49/66/13/1111496613.db2.gz VMSNFKMXNCULIX-UZLBHIALSA-N 2 1 318.505 3.053 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C1 ZINC001308984973 1111505218 /nfs/dbraw/zinc/50/52/18/1111505218.db2.gz UDUIQOUZDHLLFN-UJWQCDCRSA-N 2 1 313.489 3.346 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001308984972 1111505306 /nfs/dbraw/zinc/50/53/06/1111505306.db2.gz UDUIQOUZDHLLFN-ICBNADEASA-N 2 1 313.489 3.346 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H](Oc4ccccc4)C3(C)C)[C@@H]2C1 ZINC001308984498 1111505448 /nfs/dbraw/zinc/50/54/48/1111505448.db2.gz IWWFMUVBAWNLEB-IKLKHMQRSA-N 2 1 314.473 3.162 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H](Oc4ccccc4)C3(C)C)[C@@H]2C1 ZINC001308984500 1111505508 /nfs/dbraw/zinc/50/55/08/1111505508.db2.gz IWWFMUVBAWNLEB-YYTXDEJISA-N 2 1 314.473 3.162 20 0 DGADMP C[C@@H]([NH2+]CCC1CSC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308984379 1111505609 /nfs/dbraw/zinc/50/56/09/1111505609.db2.gz IDUMQJAGWQXAOY-QAPCUYQASA-N 2 1 304.503 3.240 20 0 DGADMP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001316769587 1111761610 /nfs/dbraw/zinc/76/16/10/1111761610.db2.gz HHUXHUZDDIMHFN-MJRGOJFPSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001621107828 1193802860 /nfs/dbraw/zinc/80/28/60/1193802860.db2.gz ANGNFEPLHVXKCA-NUEKZKHPSA-N 2 1 323.278 3.187 20 0 DGADMP CN(CCC[N@@H+](C)Cc1ccc2ccccc2c1)CC[NH+](C)C ZINC000344041492 282092487 /nfs/dbraw/zinc/09/24/87/282092487.db2.gz VXBBQIHLOIHKFT-UHFFFAOYSA-N 2 1 313.489 3.155 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181238698 199269940 /nfs/dbraw/zinc/26/99/40/199269940.db2.gz GHMKSZKKBSTOIJ-UHOSZYNNSA-N 2 1 302.462 3.228 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000278512380 214203741 /nfs/dbraw/zinc/20/37/41/214203741.db2.gz WYOBPNREQYUVAK-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000278512380 214203744 /nfs/dbraw/zinc/20/37/44/214203744.db2.gz WYOBPNREQYUVAK-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000278512380 214203746 /nfs/dbraw/zinc/20/37/46/214203746.db2.gz WYOBPNREQYUVAK-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000278512380 214203749 /nfs/dbraw/zinc/20/37/49/214203749.db2.gz WYOBPNREQYUVAK-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3cccc(F)c3)C2)CCCO1 ZINC000278538448 214221721 /nfs/dbraw/zinc/22/17/21/214221721.db2.gz NWKLEQNGPINSNO-LSJNQWAISA-N 2 1 320.452 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3cccc(F)c3)C2)CCCO1 ZINC000278538448 214221723 /nfs/dbraw/zinc/22/17/23/214221723.db2.gz NWKLEQNGPINSNO-LSJNQWAISA-N 2 1 320.452 3.162 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000181281242 199274767 /nfs/dbraw/zinc/27/47/67/199274767.db2.gz FZDMVIGQIMZILN-GXTWGEPZSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278591370 214259054 /nfs/dbraw/zinc/25/90/54/214259054.db2.gz QOOQNNOCTKXNIR-FCEWJHQRSA-N 2 1 302.462 3.010 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000278620587 214280756 /nfs/dbraw/zinc/28/07/56/214280756.db2.gz RNRDIZUGLZWZNN-HUUCEWRRSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000278620587 214280758 /nfs/dbraw/zinc/28/07/58/214280758.db2.gz RNRDIZUGLZWZNN-HUUCEWRRSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626386 214284370 /nfs/dbraw/zinc/28/43/70/214284370.db2.gz RSMHXPKSDRECBF-UONOGXRCSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000278626386 214284375 /nfs/dbraw/zinc/28/43/75/214284375.db2.gz RSMHXPKSDRECBF-UONOGXRCSA-N 2 1 312.404 3.116 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278696260 214334315 /nfs/dbraw/zinc/33/43/15/214334315.db2.gz KRDDLKADEBMDMN-ACDBMABISA-N 3 1 315.505 3.113 20 0 DGADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278696260 214334318 /nfs/dbraw/zinc/33/43/18/214334318.db2.gz KRDDLKADEBMDMN-ACDBMABISA-N 2 1 315.505 3.113 20 0 DGADMP Cn1cccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309979343 231110616 /nfs/dbraw/zinc/11/06/16/231110616.db2.gz UDFVKEFSRDOVGU-IBGZPJMESA-N 2 1 311.473 3.417 20 0 DGADMP C[N@H+](Cc1csc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000082666840 185191969 /nfs/dbraw/zinc/19/19/69/185191969.db2.gz GLVIKZNOVTUJJF-LLVKDONJSA-N 2 1 303.269 3.085 20 0 DGADMP C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000082666840 185191970 /nfs/dbraw/zinc/19/19/70/185191970.db2.gz GLVIKZNOVTUJJF-LLVKDONJSA-N 2 1 303.269 3.085 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000328350815 231230284 /nfs/dbraw/zinc/23/02/84/231230284.db2.gz NINVPGRTKHZNDO-QUCCMNQESA-N 2 1 310.441 3.130 20 0 DGADMP CCc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000302118414 529529960 /nfs/dbraw/zinc/52/99/60/529529960.db2.gz XAQYLYUAGJPZGD-UHFFFAOYSA-N 2 1 316.493 3.440 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272840585 210237618 /nfs/dbraw/zinc/23/76/18/210237618.db2.gz RGDJBJZUWILEHI-IEBWSBKVSA-N 2 1 318.505 3.285 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(C)(C)O ZINC000295021872 529660475 /nfs/dbraw/zinc/66/04/75/529660475.db2.gz NUCPRNXDYIIRMI-MKXGPGLRSA-N 2 1 316.489 3.036 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000090252117 185288049 /nfs/dbraw/zinc/28/80/49/185288049.db2.gz FFRRBQAEQWSIPZ-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000278202273 214020973 /nfs/dbraw/zinc/02/09/73/214020973.db2.gz GSFJQHIKYNQUPK-UXHICEINSA-N 2 1 316.489 3.307 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000092380953 185314768 /nfs/dbraw/zinc/31/47/68/185314768.db2.gz JFXTZALKFUBUGE-UHFFFAOYSA-N 2 1 315.383 3.264 20 0 DGADMP CC[C@H](O)C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000444611907 529694765 /nfs/dbraw/zinc/69/47/65/529694765.db2.gz SGQZKZUHVAFBMT-IBGZPJMESA-N 2 1 304.478 3.136 20 0 DGADMP Cc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587834 185327328 /nfs/dbraw/zinc/32/73/28/185327328.db2.gz PMBFEBMGYJZHDC-SFHVURJKSA-N 2 1 301.478 3.334 20 0 DGADMP Cc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587834 185327329 /nfs/dbraw/zinc/32/73/29/185327329.db2.gz PMBFEBMGYJZHDC-SFHVURJKSA-N 2 1 301.478 3.334 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000292725692 529802430 /nfs/dbraw/zinc/80/24/30/529802430.db2.gz FTXGZTVTJREEFX-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000292725692 529802431 /nfs/dbraw/zinc/80/24/31/529802431.db2.gz FTXGZTVTJREEFX-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000292725692 529802432 /nfs/dbraw/zinc/80/24/32/529802432.db2.gz FTXGZTVTJREEFX-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679891 529811748 /nfs/dbraw/zinc/81/17/48/529811748.db2.gz AOIZPLNSYKPLCL-IBGZPJMESA-N 2 1 300.446 3.003 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679891 529811750 /nfs/dbraw/zinc/81/17/50/529811750.db2.gz AOIZPLNSYKPLCL-IBGZPJMESA-N 2 1 300.446 3.003 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679891 529811751 /nfs/dbraw/zinc/81/17/51/529811751.db2.gz AOIZPLNSYKPLCL-IBGZPJMESA-N 2 1 300.446 3.003 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000292679891 529811752 /nfs/dbraw/zinc/81/17/52/529811752.db2.gz AOIZPLNSYKPLCL-IBGZPJMESA-N 2 1 300.446 3.003 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000151818301 529891773 /nfs/dbraw/zinc/89/17/73/529891773.db2.gz WHDXHHBRCDTUPU-KSZLIROESA-N 2 1 308.510 3.434 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000435881340 529964636 /nfs/dbraw/zinc/96/46/36/529964636.db2.gz UNDULXWEVRTLEH-UHFFFAOYSA-N 2 1 318.383 3.286 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000435881340 529964637 /nfs/dbraw/zinc/96/46/37/529964637.db2.gz UNDULXWEVRTLEH-UHFFFAOYSA-N 2 1 318.383 3.286 20 0 DGADMP C[NH2+]CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000435883058 529964862 /nfs/dbraw/zinc/96/48/62/529964862.db2.gz IOXWCABLWMLWBX-GFCCVEGCSA-N 2 1 303.233 3.056 20 0 DGADMP C[NH2+]CCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000435883058 529964864 /nfs/dbraw/zinc/96/48/64/529964864.db2.gz IOXWCABLWMLWBX-GFCCVEGCSA-N 2 1 303.233 3.056 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c(C)c1OC ZINC000286738109 219138110 /nfs/dbraw/zinc/13/81/10/219138110.db2.gz HSLNMZFYSJDSLK-HUUCEWRRSA-N 2 1 306.450 3.147 20 0 DGADMP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000430617001 529983923 /nfs/dbraw/zinc/98/39/23/529983923.db2.gz JEOXNJQVWYRGKX-UHFFFAOYSA-N 2 1 323.440 3.123 20 0 DGADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000430617001 529983924 /nfs/dbraw/zinc/98/39/24/529983924.db2.gz JEOXNJQVWYRGKX-UHFFFAOYSA-N 2 1 323.440 3.123 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000414849211 529998786 /nfs/dbraw/zinc/99/87/86/529998786.db2.gz XSKAHWMNGKWZFZ-VIFPVBQESA-N 2 1 305.647 3.048 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305666215 530062788 /nfs/dbraw/zinc/06/27/88/530062788.db2.gz ZXPXPLOPNQIUJY-OALUTQOASA-N 2 1 320.452 3.055 20 0 DGADMP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272741913 210147137 /nfs/dbraw/zinc/14/71/37/210147137.db2.gz INXJPPHWTZIHKE-WDSOQIARSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272660069 210064511 /nfs/dbraw/zinc/06/45/11/210064511.db2.gz HPBXYXUICOYTHE-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cc1 ZINC000286878458 219206917 /nfs/dbraw/zinc/20/69/17/219206917.db2.gz CHFTUBBOZXWEIL-KRWDZBQOSA-N 2 1 304.503 3.384 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181986763 199371947 /nfs/dbraw/zinc/37/19/47/199371947.db2.gz ZERRZJVDQKIYCA-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181986763 199371949 /nfs/dbraw/zinc/37/19/49/199371949.db2.gz ZERRZJVDQKIYCA-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000279785283 215142713 /nfs/dbraw/zinc/14/27/13/215142713.db2.gz LSYQBAYYYYQEST-NSISKUIASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000279785283 215142718 /nfs/dbraw/zinc/14/27/18/215142718.db2.gz LSYQBAYYYYQEST-NSISKUIASA-N 2 1 316.489 3.180 20 0 DGADMP C[N@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279816388 215170070 /nfs/dbraw/zinc/17/00/70/215170070.db2.gz XTHPWTUFMQNSOI-PZJWPPBQSA-N 2 1 324.468 3.174 20 0 DGADMP C[N@@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279816388 215170072 /nfs/dbraw/zinc/17/00/72/215170072.db2.gz XTHPWTUFMQNSOI-PZJWPPBQSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279816388 215170075 /nfs/dbraw/zinc/17/00/75/215170075.db2.gz XTHPWTUFMQNSOI-PZJWPPBQSA-N 2 1 324.468 3.174 20 0 DGADMP C[NH+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279816388 215170077 /nfs/dbraw/zinc/17/00/77/215170077.db2.gz XTHPWTUFMQNSOI-PZJWPPBQSA-N 2 1 324.468 3.174 20 0 DGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649400 545673457 /nfs/dbraw/zinc/67/34/57/545673457.db2.gz GXYHHIRKLOXUPT-LRDDRELGSA-N 2 1 306.450 3.437 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000279974070 215281926 /nfs/dbraw/zinc/28/19/26/215281926.db2.gz DFDVTQWKZKIDIO-HLIPFELVSA-N 2 1 315.505 3.221 20 0 DGADMP CCC[C@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000152441928 186073375 /nfs/dbraw/zinc/07/33/75/186073375.db2.gz HCDQPAOWTGVLPU-LJQANCHMSA-N 2 1 318.505 3.082 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280031335 215325075 /nfs/dbraw/zinc/32/50/75/215325075.db2.gz USEVLZIBKDGQPJ-GJZGRUSLSA-N 2 1 320.477 3.270 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268759837 186381647 /nfs/dbraw/zinc/38/16/47/186381647.db2.gz GRQDWDIUIPKBDW-PDWMJMLSSA-N 2 1 302.462 3.404 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268759837 186381649 /nfs/dbraw/zinc/38/16/49/186381649.db2.gz GRQDWDIUIPKBDW-PDWMJMLSSA-N 2 1 302.462 3.404 20 0 DGADMP CC[C@H](C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1)[NH+]1CCCC1 ZINC000277169346 213341331 /nfs/dbraw/zinc/34/13/31/213341331.db2.gz GRGIZYXBSVTXJU-NVXWUHKLSA-N 2 1 320.477 3.186 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173375046 198207648 /nfs/dbraw/zinc/20/76/48/198207648.db2.gz IVNPFXFSOVRISQ-ZDUSSCGKSA-N 2 1 312.404 3.116 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000173388846 198208756 /nfs/dbraw/zinc/20/87/56/198208756.db2.gz SRGPDXYCOZOAPE-HOTGVXAUSA-N 2 1 320.477 3.475 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCCCO)cc1 ZINC000182149864 199393346 /nfs/dbraw/zinc/39/33/46/199393346.db2.gz TUTSWFCTAQUNDE-HNNXBMFYSA-N 2 1 301.434 3.384 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000163654832 432039333 /nfs/dbraw/zinc/03/93/33/432039333.db2.gz BJZBZRBZYJKFKM-FCEWJHQRSA-N 2 1 304.478 3.432 20 0 DGADMP Fc1ccc(C[N@H+](CCc2ccccn2)CCn2ccnc2)cc1 ZINC000131853682 432039881 /nfs/dbraw/zinc/03/98/81/432039881.db2.gz LQTPWCDIOPTHQC-UHFFFAOYSA-N 2 1 324.403 3.162 20 0 DGADMP Cc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000067905384 432045372 /nfs/dbraw/zinc/04/53/72/432045372.db2.gz JDTXEMLLRQWKTP-UHFFFAOYSA-N 2 1 310.445 3.418 20 0 DGADMP Cc1nc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)o2)cs1 ZINC000164421496 432047216 /nfs/dbraw/zinc/04/72/16/432047216.db2.gz ZTMUZTMHVFBSCH-FZMZJTMJSA-N 2 1 305.447 3.141 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)o2)cs1 ZINC000164421496 432047218 /nfs/dbraw/zinc/04/72/18/432047218.db2.gz ZTMUZTMHVFBSCH-FZMZJTMJSA-N 2 1 305.447 3.141 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000164482913 432047328 /nfs/dbraw/zinc/04/73/28/432047328.db2.gz KYKGGNWRRZULQW-IVZQSRNASA-N 2 1 322.518 3.339 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000164582045 432050296 /nfs/dbraw/zinc/05/02/96/432050296.db2.gz KNXVUJBRFWUKHI-CQSZACIVSA-N 2 1 314.433 3.281 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCn2cc(C)cn2)C1 ZINC000081516631 192276591 /nfs/dbraw/zinc/27/65/91/192276591.db2.gz XJIRVUHMTQVVDC-SFHVURJKSA-N 2 1 306.498 3.026 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000081516631 192276594 /nfs/dbraw/zinc/27/65/94/192276594.db2.gz XJIRVUHMTQVVDC-SFHVURJKSA-N 2 1 306.498 3.026 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCn2cc(C)cn2)C1 ZINC000081516631 192276596 /nfs/dbraw/zinc/27/65/96/192276596.db2.gz XJIRVUHMTQVVDC-SFHVURJKSA-N 2 1 306.498 3.026 20 0 DGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133311381 432059883 /nfs/dbraw/zinc/05/98/83/432059883.db2.gz DYJKSFZDFJSNSY-UAGQMJEPSA-N 2 1 318.461 3.229 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC000133355655 432061125 /nfs/dbraw/zinc/06/11/25/432061125.db2.gz MZJXUBPVKIODGS-ZIAGYGMSSA-N 2 1 309.523 3.303 20 0 DGADMP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)O ZINC000276907208 213168043 /nfs/dbraw/zinc/16/80/43/213168043.db2.gz OJZYDCHMRQAZDV-SFHVURJKSA-N 2 1 304.478 3.036 20 0 DGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000444595011 283224973 /nfs/dbraw/zinc/22/49/73/283224973.db2.gz NBVNNCHYHCXKEN-KZNAEPCWSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000276888177 213156875 /nfs/dbraw/zinc/15/68/75/213156875.db2.gz LTBILNFKUDNSSJ-WDSOQIARSA-N 2 1 318.505 3.282 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000167851020 432066878 /nfs/dbraw/zinc/06/68/78/432066878.db2.gz MMEPOWQNQFECRC-BQFCYCMXSA-N 2 1 303.494 3.188 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133848317 432070736 /nfs/dbraw/zinc/07/07/36/432070736.db2.gz FWKFZQDQBACHHY-FEHORTKBSA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000133848317 432070737 /nfs/dbraw/zinc/07/07/37/432070737.db2.gz FWKFZQDQBACHHY-FEHORTKBSA-N 2 1 317.521 3.170 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000133848317 432070739 /nfs/dbraw/zinc/07/07/39/432070739.db2.gz FWKFZQDQBACHHY-FEHORTKBSA-N 2 1 317.521 3.170 20 0 DGADMP COCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180109110 199118885 /nfs/dbraw/zinc/11/88/85/199118885.db2.gz JCJKCPIJTWUNIA-YQQQUEKLSA-N 2 1 302.462 3.198 20 0 DGADMP CCC(O)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180115710 199119203 /nfs/dbraw/zinc/11/92/03/199119203.db2.gz SZNHJQVHPLZJDD-YQQQUEKLSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180421963 199156843 /nfs/dbraw/zinc/15/68/43/199156843.db2.gz HWXWSWOAGJCMCE-INMHGKMJSA-N 2 1 317.477 3.244 20 0 DGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000180421963 199156845 /nfs/dbraw/zinc/15/68/45/199156845.db2.gz HWXWSWOAGJCMCE-INMHGKMJSA-N 2 1 317.477 3.244 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180644519 199189425 /nfs/dbraw/zinc/18/94/25/199189425.db2.gz CABFLIMDCPWDQE-PXNSSMCTSA-N 2 1 324.468 3.412 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000180095062 432078112 /nfs/dbraw/zinc/07/81/12/432078112.db2.gz AWBYAXZKKYSYHF-HOTGVXAUSA-N 2 1 323.484 3.408 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000180170407 432080323 /nfs/dbraw/zinc/08/03/23/432080323.db2.gz ZPBNZTCPIZZXHC-MUGJNUQGSA-N 2 1 314.473 3.056 20 0 DGADMP Clc1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000415031666 237018103 /nfs/dbraw/zinc/01/81/03/237018103.db2.gz GQRVDNOOQYZIGW-VIKVFOODSA-N 2 1 304.846 3.376 20 0 DGADMP CCn1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033387 237022528 /nfs/dbraw/zinc/02/25/28/237022528.db2.gz BRKORLCQGJWXDT-CRAIPNDOSA-N 2 1 312.461 3.020 20 0 DGADMP CCn1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033387 237022539 /nfs/dbraw/zinc/02/25/39/237022539.db2.gz BRKORLCQGJWXDT-CRAIPNDOSA-N 2 1 312.461 3.020 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3COc4ccccc4C3)CC[NH2+]2)cc1 ZINC000415074975 237055041 /nfs/dbraw/zinc/05/50/41/237055041.db2.gz DIAZXHWNERKYBO-OTWHNJEPSA-N 2 1 308.425 3.073 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415136094 237104698 /nfs/dbraw/zinc/10/46/98/237104698.db2.gz XCUXWAUVKYDBAS-JSGCOSHPSA-N 2 1 316.367 3.044 20 0 DGADMP CCOC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186891670 200027585 /nfs/dbraw/zinc/02/75/85/200027585.db2.gz FHGVEWFOFZDKFF-UHFFFAOYSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000237555155 202281439 /nfs/dbraw/zinc/28/14/39/202281439.db2.gz HIAQAYDADDAKLU-GOSISDBHSA-N 2 1 324.468 3.412 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000188104871 200193887 /nfs/dbraw/zinc/19/38/87/200193887.db2.gz QWBBFIWYCUIOTA-INIZCTEOSA-N 2 1 322.468 3.236 20 0 DGADMP Clc1ccc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000188503547 200258249 /nfs/dbraw/zinc/25/82/49/200258249.db2.gz GBKDHRIBPMKZAO-UHFFFAOYSA-N 2 1 305.809 3.022 20 0 DGADMP Clc1ccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000188503547 200258251 /nfs/dbraw/zinc/25/82/51/200258251.db2.gz GBKDHRIBPMKZAO-UHFFFAOYSA-N 2 1 305.809 3.022 20 0 DGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423324410 237841744 /nfs/dbraw/zinc/84/17/44/237841744.db2.gz PHJLLOCYVJXYGM-IINYFYTJSA-N 2 1 300.418 3.432 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2cccs2)cc1 ZINC000423529280 237856976 /nfs/dbraw/zinc/85/69/76/237856976.db2.gz XQRVAXKFOFLZBU-PBHICJAKSA-N 2 1 316.470 3.444 20 0 DGADMP C[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226755 238012322 /nfs/dbraw/zinc/01/23/22/238012322.db2.gz HLUYTMCTBKVEQN-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429535310 238053944 /nfs/dbraw/zinc/05/39/44/238053944.db2.gz BEGJPBNUNNXSGG-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000429546238 238054185 /nfs/dbraw/zinc/05/41/85/238054185.db2.gz BIXCYXGKDJEOLX-GJZGRUSLSA-N 2 1 311.429 3.165 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000429546238 238054186 /nfs/dbraw/zinc/05/41/86/238054186.db2.gz BIXCYXGKDJEOLX-GJZGRUSLSA-N 2 1 311.429 3.165 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000430035040 238064816 /nfs/dbraw/zinc/06/48/16/238064816.db2.gz LIZSOQZRNSMWGH-HZPDHXFCSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000430035040 238064817 /nfs/dbraw/zinc/06/48/17/238064817.db2.gz LIZSOQZRNSMWGH-HZPDHXFCSA-N 2 1 324.896 3.362 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430652076 238082538 /nfs/dbraw/zinc/08/25/38/238082538.db2.gz WZIXTPXUDYPGPG-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430955478 238091078 /nfs/dbraw/zinc/09/10/78/238091078.db2.gz ANTHTUCDDQKXQE-KRWDZBQOSA-N 2 1 310.441 3.073 20 0 DGADMP C[C@@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000430949870 238091169 /nfs/dbraw/zinc/09/11/69/238091169.db2.gz PDDHEVPENJSTPM-QAPCUYQASA-N 2 1 304.478 3.422 20 0 DGADMP Fc1ccc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134928007 432090918 /nfs/dbraw/zinc/09/09/18/432090918.db2.gz ZREBRJXCSORZJC-DNVCBOLYSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134928007 432090920 /nfs/dbraw/zinc/09/09/20/432090920.db2.gz ZREBRJXCSORZJC-DNVCBOLYSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134928007 432090931 /nfs/dbraw/zinc/09/09/31/432090931.db2.gz ZREBRJXCSORZJC-DNVCBOLYSA-N 2 1 320.427 3.456 20 0 DGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432416080 238128063 /nfs/dbraw/zinc/12/80/63/238128063.db2.gz FKGNUVFEBNGLBA-MSOLQXFVSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CCCO1 ZINC000432425751 238128650 /nfs/dbraw/zinc/12/86/50/238128650.db2.gz XBTKTHMJOYHDMI-HOJAQTOUSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CCCO1 ZINC000432425751 238128651 /nfs/dbraw/zinc/12/86/51/238128651.db2.gz XBTKTHMJOYHDMI-HOJAQTOUSA-N 2 1 316.489 3.413 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCC3CCOCC3)CC2)n2c1CCCC2 ZINC000433189316 238149762 /nfs/dbraw/zinc/14/97/62/238149762.db2.gz RVONJZYLZYKYOI-UHFFFAOYSA-N 2 1 317.477 3.216 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435389011 238298356 /nfs/dbraw/zinc/29/83/56/238298356.db2.gz KCFAJTCPWQYAAK-GFCCVEGCSA-N 2 1 313.426 3.337 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435389011 238298360 /nfs/dbraw/zinc/29/83/60/238298360.db2.gz KCFAJTCPWQYAAK-GFCCVEGCSA-N 2 1 313.426 3.337 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCC ZINC000435438752 238307350 /nfs/dbraw/zinc/30/73/50/238307350.db2.gz RAUNSHHPMSEGDD-INIZCTEOSA-N 2 1 306.450 3.058 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000193159767 201001528 /nfs/dbraw/zinc/00/15/28/201001528.db2.gz YCHAYTOQTWJTSU-MLGOLLRUSA-N 2 1 323.278 3.368 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193298318 201022936 /nfs/dbraw/zinc/02/29/36/201022936.db2.gz ROZYYDXQXSPWAL-UHFFFAOYSA-N 2 1 313.445 3.129 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000193940320 201150104 /nfs/dbraw/zinc/15/01/04/201150104.db2.gz NFZZKCZUEGEYIQ-MOPGFXCFSA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000193940320 201150106 /nfs/dbraw/zinc/15/01/06/201150106.db2.gz NFZZKCZUEGEYIQ-MOPGFXCFSA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000193940320 201150110 /nfs/dbraw/zinc/15/01/10/201150110.db2.gz NFZZKCZUEGEYIQ-MOPGFXCFSA-N 2 1 300.446 3.133 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194027313 201166094 /nfs/dbraw/zinc/16/60/94/201166094.db2.gz IKLRCMORKQASGD-GUDVDZBRSA-N 2 1 314.473 3.186 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000171049656 432098333 /nfs/dbraw/zinc/09/83/33/432098333.db2.gz RHQNUAIGZKKMKH-UHFFFAOYSA-N 2 1 300.446 3.172 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751167 239118605 /nfs/dbraw/zinc/11/86/05/239118605.db2.gz BSLREUOUULKWFH-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751167 239118608 /nfs/dbraw/zinc/11/86/08/239118608.db2.gz BSLREUOUULKWFH-WDEREUQCSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000442785763 239122895 /nfs/dbraw/zinc/12/28/95/239122895.db2.gz YHMAXGLQSBUGLK-CVEARBPZSA-N 2 1 320.440 3.170 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000442784400 239123460 /nfs/dbraw/zinc/12/34/60/239123460.db2.gz VXTKFXBQJOFFBJ-MSOLQXFVSA-N 2 1 324.468 3.462 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000443058848 239167503 /nfs/dbraw/zinc/16/75/03/239167503.db2.gz AVVKEURJIMBEQI-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000443056117 239167859 /nfs/dbraw/zinc/16/78/59/239167859.db2.gz CBCICPOTBBMBTP-INIZCTEOSA-N 2 1 311.429 3.435 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000443058295 239168026 /nfs/dbraw/zinc/16/80/26/239168026.db2.gz JXGQFCBWRDEWNH-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP COCC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000449075143 240003795 /nfs/dbraw/zinc/00/37/95/240003795.db2.gz VLTONJVPMFKRLJ-UHFFFAOYSA-N 2 1 316.489 3.230 20 0 DGADMP COCC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000449075143 240003802 /nfs/dbraw/zinc/00/38/02/240003802.db2.gz VLTONJVPMFKRLJ-UHFFFAOYSA-N 2 1 316.489 3.230 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000449150811 240040706 /nfs/dbraw/zinc/04/07/06/240040706.db2.gz UCCILFITWYPIJR-JEWRLFTDSA-N 2 1 302.462 3.368 20 0 DGADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000449087478 240010394 /nfs/dbraw/zinc/01/03/94/240010394.db2.gz VVIZYMYINDRDKW-CVEARBPZSA-N 2 1 317.477 3.245 20 0 DGADMP COCC1CCC([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000449161050 240046738 /nfs/dbraw/zinc/04/67/38/240046738.db2.gz DIIMUUDZQROUKQ-UHFFFAOYSA-N 2 1 317.477 3.154 20 0 DGADMP Fc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000449399836 240173319 /nfs/dbraw/zinc/17/33/19/240173319.db2.gz DTZBINVRWTVQPE-STQMWFEESA-N 2 1 312.816 3.074 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000449484856 240235273 /nfs/dbraw/zinc/23/52/73/240235273.db2.gz JSJURHSRUQNZEJ-BLLLJJGKSA-N 2 1 314.832 3.178 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560733 240289283 /nfs/dbraw/zinc/28/92/83/240289283.db2.gz OZTFSTOARARUPA-DUQJVZAFSA-N 2 1 322.493 3.103 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449629667 240330793 /nfs/dbraw/zinc/33/07/93/240330793.db2.gz UJCAOKFVWJIBBR-GDBMZVCRSA-N 2 1 317.458 3.219 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000246195589 432106113 /nfs/dbraw/zinc/10/61/13/432106113.db2.gz XKFIKHHCYPFVDO-VQTJNVASSA-N 2 1 316.489 3.273 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(Cc3cc(F)ccc3F)CC2)CC1 ZINC000453384368 241756824 /nfs/dbraw/zinc/75/68/24/241756824.db2.gz ZRIBAQJVDSTPGH-UHFFFAOYSA-N 2 1 308.416 3.314 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000271777043 209206617 /nfs/dbraw/zinc/20/66/17/209206617.db2.gz CSXIIMNUKOXOKT-UHFFFAOYSA-N 2 1 302.315 3.196 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459349513 243344702 /nfs/dbraw/zinc/34/47/02/243344702.db2.gz FDFLFISXZRTFQI-MRXNPFEDSA-N 2 1 318.452 3.245 20 0 DGADMP CC(C)(C)OC(=O)CCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459408812 243360868 /nfs/dbraw/zinc/36/08/68/243360868.db2.gz ARRVGERCJHOHHW-UHFFFAOYSA-N 2 1 310.482 3.105 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000246306465 432118629 /nfs/dbraw/zinc/11/86/29/432118629.db2.gz FTZKAROEUKMDKA-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000246306465 432118632 /nfs/dbraw/zinc/11/86/32/432118632.db2.gz FTZKAROEUKMDKA-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000246306465 432118634 /nfs/dbraw/zinc/11/86/34/432118634.db2.gz FTZKAROEUKMDKA-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000246306465 432118637 /nfs/dbraw/zinc/11/86/37/432118637.db2.gz FTZKAROEUKMDKA-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000113997754 284105858 /nfs/dbraw/zinc/10/58/58/284105858.db2.gz IWFAJHMJYVESQS-INIZCTEOSA-N 2 1 304.478 3.246 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000113997754 284105860 /nfs/dbraw/zinc/10/58/60/284105860.db2.gz IWFAJHMJYVESQS-INIZCTEOSA-N 2 1 304.478 3.246 20 0 DGADMP CC(C)CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551510 244052568 /nfs/dbraw/zinc/05/25/68/244052568.db2.gz DOXYVJVBJQRHLT-ICSRJNTNSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551510 244052571 /nfs/dbraw/zinc/05/25/71/244052571.db2.gz DOXYVJVBJQRHLT-ICSRJNTNSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1cccc(Br)c1 ZINC000469860686 244130831 /nfs/dbraw/zinc/13/08/31/244130831.db2.gz GPIMJYRVHFAVKA-UPJWGTAASA-N 2 1 311.267 3.222 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)CC1CC[NH+](C)CC1 ZINC000093088884 193202134 /nfs/dbraw/zinc/20/21/34/193202134.db2.gz NVGWZVIPRVPCHY-UHFFFAOYSA-N 2 1 302.462 3.174 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000471836227 244257404 /nfs/dbraw/zinc/25/74/04/244257404.db2.gz IFLXGTGJRQTWIU-VQTJNVASSA-N 2 1 316.489 3.085 20 0 DGADMP COCCCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836139 244257733 /nfs/dbraw/zinc/25/77/33/244257733.db2.gz HYAYYMFUTDPJFN-MOPGFXCFSA-N 2 1 304.478 3.085 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000472262647 244293716 /nfs/dbraw/zinc/29/37/16/244293716.db2.gz FZJKIEXUZJMYKJ-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105450 284134766 /nfs/dbraw/zinc/13/47/66/284134766.db2.gz JNYSSPWTLYPVOE-ROUUACIJSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119105450 284134768 /nfs/dbraw/zinc/13/47/68/284134768.db2.gz JNYSSPWTLYPVOE-ROUUACIJSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119105450 284134771 /nfs/dbraw/zinc/13/47/71/284134771.db2.gz JNYSSPWTLYPVOE-ROUUACIJSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471584 244306551 /nfs/dbraw/zinc/30/65/51/244306551.db2.gz TWKSYXCIVHIMAQ-QRQLOZEOSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472471584 244306556 /nfs/dbraw/zinc/30/65/56/244306556.db2.gz TWKSYXCIVHIMAQ-QRQLOZEOSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472471584 244306560 /nfs/dbraw/zinc/30/65/60/244306560.db2.gz TWKSYXCIVHIMAQ-QRQLOZEOSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472471584 244306563 /nfs/dbraw/zinc/30/65/63/244306563.db2.gz TWKSYXCIVHIMAQ-QRQLOZEOSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472471584 244306568 /nfs/dbraw/zinc/30/65/68/244306568.db2.gz TWKSYXCIVHIMAQ-QRQLOZEOSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000093318512 193231560 /nfs/dbraw/zinc/23/15/60/193231560.db2.gz BXVVUKDQHVEZAH-XLIONFOSSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000093318512 193231562 /nfs/dbraw/zinc/23/15/62/193231562.db2.gz BXVVUKDQHVEZAH-XLIONFOSSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318512 193231564 /nfs/dbraw/zinc/23/15/64/193231564.db2.gz BXVVUKDQHVEZAH-XLIONFOSSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318512 193231566 /nfs/dbraw/zinc/23/15/66/193231566.db2.gz BXVVUKDQHVEZAH-XLIONFOSSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000093318514 193231618 /nfs/dbraw/zinc/23/16/18/193231618.db2.gz BXVVUKDQHVEZAH-PXNSSMCTSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000093318514 193231620 /nfs/dbraw/zinc/23/16/20/193231620.db2.gz BXVVUKDQHVEZAH-PXNSSMCTSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318514 193231622 /nfs/dbraw/zinc/23/16/22/193231622.db2.gz BXVVUKDQHVEZAH-PXNSSMCTSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318514 193231624 /nfs/dbraw/zinc/23/16/24/193231624.db2.gz BXVVUKDQHVEZAH-PXNSSMCTSA-N 2 1 314.473 3.318 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093693358 193290777 /nfs/dbraw/zinc/29/07/77/193290777.db2.gz DQPRJBBGUZDCNH-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093693358 193290778 /nfs/dbraw/zinc/29/07/78/193290778.db2.gz DQPRJBBGUZDCNH-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP C[C@H](c1ccccc1Br)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010797 193338826 /nfs/dbraw/zinc/33/88/26/193338826.db2.gz KWBIQDYRCSZIPT-GFCCVEGCSA-N 2 1 311.267 3.442 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093944558 193330911 /nfs/dbraw/zinc/33/09/11/193330911.db2.gz UOUNUQJKWRUYIY-CABCVRRESA-N 2 1 300.450 3.244 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000122814266 284226264 /nfs/dbraw/zinc/22/62/64/284226264.db2.gz JUUUWWLFSBZZKY-GDBMZVCRSA-N 2 1 318.461 3.013 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488048119 245139058 /nfs/dbraw/zinc/13/90/58/245139058.db2.gz MYBHBDAVRXKBIB-ILOCAZANSA-N 2 1 320.521 3.290 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000488048119 245139061 /nfs/dbraw/zinc/13/90/61/245139061.db2.gz MYBHBDAVRXKBIB-ILOCAZANSA-N 2 1 320.521 3.290 20 0 DGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124399230 284258465 /nfs/dbraw/zinc/25/84/65/284258465.db2.gz CHAKRRPQYIDREL-OALUTQOASA-N 2 1 309.542 3.064 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000124260332 284255804 /nfs/dbraw/zinc/25/58/04/284255804.db2.gz YFESBKXIPSHZBX-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000124260332 284255807 /nfs/dbraw/zinc/25/58/07/284255807.db2.gz YFESBKXIPSHZBX-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1C ZINC000124356134 284257587 /nfs/dbraw/zinc/25/75/87/284257587.db2.gz ULGIHPZIJFJIHQ-GOSISDBHSA-N 2 1 317.521 3.228 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000124531348 284260695 /nfs/dbraw/zinc/26/06/95/284260695.db2.gz RKQFQDGGBJXFHD-HNNXBMFYSA-N 2 1 323.550 3.235 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3=CCCOC3)cc2)C1 ZINC000126485235 284306661 /nfs/dbraw/zinc/30/66/61/284306661.db2.gz FSZBMBRHHFODOX-QGZVFWFLSA-N 2 1 314.473 3.355 20 0 DGADMP c1c[nH]c([C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc2)n1 ZINC000127455741 284340528 /nfs/dbraw/zinc/34/05/28/284340528.db2.gz BJSVCPQWLXQGNM-MOPGFXCFSA-N 2 1 324.472 3.353 20 0 DGADMP C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000266107325 205103733 /nfs/dbraw/zinc/10/37/33/205103733.db2.gz LXAWDTDBKQTVIB-UHFFFAOYSA-N 2 1 304.768 3.125 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000266144742 205134290 /nfs/dbraw/zinc/13/42/90/205134290.db2.gz ILZNMCRIWJXRDD-ZBFHGGJFSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000266144742 205134294 /nfs/dbraw/zinc/13/42/94/205134294.db2.gz ILZNMCRIWJXRDD-ZBFHGGJFSA-N 2 1 306.450 3.056 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccncc1 ZINC000282908310 217317746 /nfs/dbraw/zinc/31/77/46/217317746.db2.gz GCEYBZKNOVBAQH-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccncc1 ZINC000282908310 217317751 /nfs/dbraw/zinc/31/77/51/217317751.db2.gz GCEYBZKNOVBAQH-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1 ZINC000282908310 217317754 /nfs/dbraw/zinc/31/77/54/217317754.db2.gz GCEYBZKNOVBAQH-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1 ZINC000282908310 217317758 /nfs/dbraw/zinc/31/77/58/217317758.db2.gz GCEYBZKNOVBAQH-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493976419 246102281 /nfs/dbraw/zinc/10/22/81/246102281.db2.gz JCESBOGKTQSETD-AKHDSKFASA-N 2 1 320.521 3.434 20 0 DGADMP Brc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000136319185 284500050 /nfs/dbraw/zinc/50/00/50/284500050.db2.gz RHKCOFAWKILDLH-UHFFFAOYSA-N 2 1 323.278 3.208 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246549909 432141771 /nfs/dbraw/zinc/14/17/71/432141771.db2.gz WLRPCXLYALRIAD-SJORKVTESA-N 2 1 306.498 3.483 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246549909 432141776 /nfs/dbraw/zinc/14/17/76/432141776.db2.gz WLRPCXLYALRIAD-SJORKVTESA-N 2 1 306.498 3.483 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2Br)CC[N@H+]1C ZINC000268823920 432142585 /nfs/dbraw/zinc/14/25/85/432142585.db2.gz QGUXWOFGRLGCJZ-OCCSQVGLSA-N 2 1 311.267 3.064 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@@H]1n1ccnc1 ZINC000136083210 432145767 /nfs/dbraw/zinc/14/57/67/432145767.db2.gz AWRKXMZRRVCZBX-APWZRJJASA-N 2 1 321.428 3.152 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCOC1 ZINC000268881895 432146345 /nfs/dbraw/zinc/14/63/45/432146345.db2.gz KDJDVDSADKNHEJ-PBWTXFEYSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCOC1 ZINC000268881895 432146348 /nfs/dbraw/zinc/14/63/48/432146348.db2.gz KDJDVDSADKNHEJ-PBWTXFEYSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000246594473 432147586 /nfs/dbraw/zinc/14/75/86/432147586.db2.gz ZRAHUVBQFQIKRH-ZOMKSWQUSA-N 2 1 310.869 3.426 20 0 DGADMP Cc1ccccc1C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000284376778 218002503 /nfs/dbraw/zinc/00/25/03/218002503.db2.gz OMRWBCXHACMTFM-LJQANCHMSA-N 2 1 316.489 3.017 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000105443034 194104269 /nfs/dbraw/zinc/10/42/69/194104269.db2.gz VLDJDSXARKTGJS-HNNXBMFYSA-N 2 1 301.434 3.405 20 0 DGADMP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000237275156 284792284 /nfs/dbraw/zinc/79/22/84/284792284.db2.gz AMFKIYHEIMSJOI-AZUAARDMSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000268889462 207059623 /nfs/dbraw/zinc/05/96/23/207059623.db2.gz JEHVCBDJNACJOG-IEBWSBKVSA-N 2 1 304.478 3.191 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268890894 207061524 /nfs/dbraw/zinc/06/15/24/207061524.db2.gz AESYIGIAJBQGLD-AOIWGVFYSA-N 2 1 304.478 3.302 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268890894 207061528 /nfs/dbraw/zinc/06/15/28/207061528.db2.gz AESYIGIAJBQGLD-AOIWGVFYSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268925120 207091393 /nfs/dbraw/zinc/09/13/93/207091393.db2.gz RKJBNWWJQLEDHF-HOTGVXAUSA-N 2 1 323.444 3.364 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000268922991 207088629 /nfs/dbraw/zinc/08/86/29/207088629.db2.gz XFLOQQURFZBJKB-CRAIPNDOSA-N 2 1 302.462 3.393 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1OC(F)F ZINC000268985527 207143695 /nfs/dbraw/zinc/14/36/95/207143695.db2.gz ISLVBTZENWVQHW-RYUDHWBXSA-N 2 1 316.392 3.287 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)OCO2 ZINC000268999894 207155199 /nfs/dbraw/zinc/15/51/99/207155199.db2.gz LKOGNSJZQSPXEV-ZDUSSCGKSA-N 2 1 302.418 3.083 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000269042760 207191943 /nfs/dbraw/zinc/19/19/43/207191943.db2.gz XNLXYXXQCFEXSI-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000269042760 207191946 /nfs/dbraw/zinc/19/19/46/207191946.db2.gz XNLXYXXQCFEXSI-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269068877 207217476 /nfs/dbraw/zinc/21/74/76/207217476.db2.gz ZNXPURDMCXQEGN-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248742999 285022228 /nfs/dbraw/zinc/02/22/28/285022228.db2.gz RRNIJYCHWAGKOA-VVLHAWIVSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248742999 285022229 /nfs/dbraw/zinc/02/22/29/285022229.db2.gz RRNIJYCHWAGKOA-VVLHAWIVSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248918186 285039169 /nfs/dbraw/zinc/03/91/69/285039169.db2.gz DPEGQBPUTJBFIZ-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000270537348 252795017 /nfs/dbraw/zinc/79/50/17/252795017.db2.gz WUHNLEFCOJALIZ-IRXDYDNUSA-N 2 1 304.478 3.342 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000178219892 533009420 /nfs/dbraw/zinc/00/94/20/533009420.db2.gz NTHSJBOLOAYLAJ-HUUCEWRRSA-N 2 1 323.440 3.092 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000178219892 533009425 /nfs/dbraw/zinc/00/94/25/533009425.db2.gz NTHSJBOLOAYLAJ-HUUCEWRRSA-N 2 1 323.440 3.092 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000249128850 285058618 /nfs/dbraw/zinc/05/86/18/285058618.db2.gz XRDLAURNSNYJKE-IKGGRYGDSA-N 2 1 308.853 3.244 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249179743 285062163 /nfs/dbraw/zinc/06/21/63/285062163.db2.gz HGKRWZHZDMROBR-ZWKOTPCHSA-N 2 1 308.441 3.103 20 0 DGADMP Cc1cc(C)n(CCN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000336873080 253016151 /nfs/dbraw/zinc/01/61/51/253016151.db2.gz RPFUVYWPWXGJMS-MJGOQNOKSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000336873080 253016153 /nfs/dbraw/zinc/01/61/53/253016153.db2.gz RPFUVYWPWXGJMS-MJGOQNOKSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000336873080 253016155 /nfs/dbraw/zinc/01/61/55/253016155.db2.gz RPFUVYWPWXGJMS-MJGOQNOKSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336873080 253016157 /nfs/dbraw/zinc/01/61/57/253016157.db2.gz RPFUVYWPWXGJMS-MJGOQNOKSA-N 2 1 318.509 3.086 20 0 DGADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336873080 253016159 /nfs/dbraw/zinc/01/61/59/253016159.db2.gz RPFUVYWPWXGJMS-MJGOQNOKSA-N 2 1 318.509 3.086 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337285743 253078577 /nfs/dbraw/zinc/07/85/77/253078577.db2.gz KERXUCDHUVUJFB-ZIFCJYIRSA-N 2 1 301.478 3.429 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373543 253100059 /nfs/dbraw/zinc/10/00/59/253100059.db2.gz FGZCFHKAUCSVCZ-HOTGVXAUSA-N 2 1 322.493 3.263 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337373543 253100061 /nfs/dbraw/zinc/10/00/61/253100061.db2.gz FGZCFHKAUCSVCZ-HOTGVXAUSA-N 2 1 322.493 3.263 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000337377734 253100593 /nfs/dbraw/zinc/10/05/93/253100593.db2.gz BXGMWJVKTVSBOI-MSOLQXFVSA-N 2 1 322.880 3.116 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337393384 253105863 /nfs/dbraw/zinc/10/58/63/253105863.db2.gz ONPQQQCYAFOYFC-JKSUJKDBSA-N 2 1 322.493 3.263 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337407806 253109781 /nfs/dbraw/zinc/10/97/81/253109781.db2.gz VCKCZNLUXWTXDA-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337407806 253109784 /nfs/dbraw/zinc/10/97/84/253109784.db2.gz VCKCZNLUXWTXDA-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249945260 285091175 /nfs/dbraw/zinc/09/11/75/285091175.db2.gz UHFDMZDDRMIKQN-HOTGVXAUSA-N 2 1 323.278 3.474 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCC4)c2)CCO1 ZINC000337524662 253132757 /nfs/dbraw/zinc/13/27/57/253132757.db2.gz RHUMFCNABBSRKS-VQIMIIECSA-N 2 1 314.473 3.330 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCC4)c2)CCO1 ZINC000337524662 253132759 /nfs/dbraw/zinc/13/27/59/253132759.db2.gz RHUMFCNABBSRKS-VQIMIIECSA-N 2 1 314.473 3.330 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000270255588 208320965 /nfs/dbraw/zinc/32/09/65/208320965.db2.gz RZPVMPOQXMWFJO-CYBMUJFWSA-N 2 1 317.481 3.186 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000337812544 253177768 /nfs/dbraw/zinc/17/77/68/253177768.db2.gz MDJKPZATAAGJQE-QGZVFWFLSA-N 2 1 314.477 3.019 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CCCn3cc[nH+]c3C)s2)o1 ZINC000337948678 253198461 /nfs/dbraw/zinc/19/84/61/253198461.db2.gz JBMGRVPJHCKACZ-UHFFFAOYSA-N 2 1 316.430 3.396 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)nc(C)[nH+]1 ZINC000338001505 253207871 /nfs/dbraw/zinc/20/78/71/253207871.db2.gz XXYFQIPAQUGKPJ-QZTJIDSGSA-N 2 1 314.477 3.231 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338200043 253241583 /nfs/dbraw/zinc/24/15/83/253241583.db2.gz YACXJXIOPFMMEX-ZCNNSNEGSA-N 2 1 324.472 3.223 20 0 DGADMP Cc1n[nH]cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174359 253237109 /nfs/dbraw/zinc/23/71/09/253237109.db2.gz BBXMNNWNYWRFHR-MAUKXSAKSA-N 2 1 312.461 3.108 20 0 DGADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000338294652 253259320 /nfs/dbraw/zinc/25/93/20/253259320.db2.gz KSSZPFQDLDXDRF-UYAOXDASSA-N 2 1 317.521 3.219 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301403 253260658 /nfs/dbraw/zinc/26/06/58/253260658.db2.gz BHGAFCNDVFRKSI-GDBMZVCRSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301403 253260661 /nfs/dbraw/zinc/26/06/61/253260661.db2.gz BHGAFCNDVFRKSI-GDBMZVCRSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301403 253260663 /nfs/dbraw/zinc/26/06/63/253260663.db2.gz BHGAFCNDVFRKSI-GDBMZVCRSA-N 2 1 313.445 3.163 20 0 DGADMP Cc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)ccc(O)c2n1 ZINC000338301403 253260665 /nfs/dbraw/zinc/26/06/65/253260665.db2.gz BHGAFCNDVFRKSI-GDBMZVCRSA-N 2 1 313.445 3.163 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](CC)CCC[NH+]2CCCCC2)CC1 ZINC000338375125 253275664 /nfs/dbraw/zinc/27/56/64/253275664.db2.gz FNTOHKKXRYJWTL-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP COCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159276543 197341642 /nfs/dbraw/zinc/34/16/42/197341642.db2.gz SLYLBGKPMVIPBF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159276543 197341644 /nfs/dbraw/zinc/34/16/44/197341644.db2.gz SLYLBGKPMVIPBF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159276543 197341646 /nfs/dbraw/zinc/34/16/46/197341646.db2.gz SLYLBGKPMVIPBF-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C([NH2+]C(C1CCC1)C1CCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000338774451 253349576 /nfs/dbraw/zinc/34/95/76/253349576.db2.gz JHSNOPOILHDIOX-UHFFFAOYSA-N 2 1 306.494 3.190 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000158743362 197298048 /nfs/dbraw/zinc/29/80/48/197298048.db2.gz AHNJBQMXZAOIIB-HKUYNNGSSA-N 2 1 302.462 3.044 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000158743362 197298051 /nfs/dbraw/zinc/29/80/51/197298051.db2.gz AHNJBQMXZAOIIB-HKUYNNGSSA-N 2 1 302.462 3.044 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000158743362 197298053 /nfs/dbraw/zinc/29/80/53/197298053.db2.gz AHNJBQMXZAOIIB-HKUYNNGSSA-N 2 1 302.462 3.044 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCn2cccn2)c1 ZINC000158745070 197297877 /nfs/dbraw/zinc/29/78/77/197297877.db2.gz DDCKSMBSQMYTIV-QGZVFWFLSA-N 2 1 314.477 3.292 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000340281479 253593532 /nfs/dbraw/zinc/59/35/32/253593532.db2.gz VUSAPMRYSRMPKK-RTBURBONSA-N 2 1 307.526 3.200 20 0 DGADMP COC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000294652131 224143997 /nfs/dbraw/zinc/14/39/97/224143997.db2.gz QRDBXYFTFDFRNC-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342604182 254016671 /nfs/dbraw/zinc/01/66/71/254016671.db2.gz YOAPVECCJYTYOB-ZWKOTPCHSA-N 2 1 313.445 3.417 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000271314215 208805397 /nfs/dbraw/zinc/80/53/97/208805397.db2.gz XGNJIYLZIMEYLR-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C ZINC000342774476 254047394 /nfs/dbraw/zinc/04/73/94/254047394.db2.gz FLHSQSUZTSUTDE-MRXNPFEDSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C ZINC000342774476 254047397 /nfs/dbraw/zinc/04/73/97/254047397.db2.gz FLHSQSUZTSUTDE-MRXNPFEDSA-N 2 1 318.509 3.205 20 0 DGADMP CCc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342826056 254060782 /nfs/dbraw/zinc/06/07/82/254060782.db2.gz SACAGVZRNYSVKQ-QAPCUYQASA-N 2 1 324.472 3.092 20 0 DGADMP CCc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342826056 254060784 /nfs/dbraw/zinc/06/07/84/254060784.db2.gz SACAGVZRNYSVKQ-QAPCUYQASA-N 2 1 324.472 3.092 20 0 DGADMP CCCCO[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863126 254067836 /nfs/dbraw/zinc/06/78/36/254067836.db2.gz GMUFBGKLVXOQRD-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863126 254067839 /nfs/dbraw/zinc/06/78/39/254067839.db2.gz GMUFBGKLVXOQRD-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000342953566 254080573 /nfs/dbraw/zinc/08/05/73/254080573.db2.gz SUFKZIDBYUJUEE-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000342953566 254080576 /nfs/dbraw/zinc/08/05/76/254080576.db2.gz SUFKZIDBYUJUEE-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953566 254080578 /nfs/dbraw/zinc/08/05/78/254080578.db2.gz SUFKZIDBYUJUEE-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000342953566 254080581 /nfs/dbraw/zinc/08/05/81/254080581.db2.gz SUFKZIDBYUJUEE-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000343134129 254104071 /nfs/dbraw/zinc/10/40/71/254104071.db2.gz SPNCYQJJDKYPFD-KRWDZBQOSA-N 2 1 309.457 3.267 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000343520561 254155629 /nfs/dbraw/zinc/15/56/29/254155629.db2.gz UGJPXIXOSQKGDQ-MRXNPFEDSA-N 2 1 306.425 3.286 20 0 DGADMP Cc1cccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000343629620 254169681 /nfs/dbraw/zinc/16/96/81/254169681.db2.gz OBEFWLMOBFGDGX-FQEVSTJZSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343629620 254169682 /nfs/dbraw/zinc/16/96/82/254169682.db2.gz OBEFWLMOBFGDGX-FQEVSTJZSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000343629620 254169683 /nfs/dbraw/zinc/16/96/83/254169683.db2.gz OBEFWLMOBFGDGX-FQEVSTJZSA-N 2 1 307.441 3.492 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(OC)c1 ZINC000343707094 254179714 /nfs/dbraw/zinc/17/97/14/254179714.db2.gz CYYNINGBWKWNHV-WMZOPIPTSA-N 2 1 305.466 3.080 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343869433 254197914 /nfs/dbraw/zinc/19/79/14/254197914.db2.gz VFPUIEVTLIDGSX-INIZCTEOSA-N 2 1 323.868 3.215 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343869433 254197916 /nfs/dbraw/zinc/19/79/16/254197916.db2.gz VFPUIEVTLIDGSX-INIZCTEOSA-N 2 1 323.868 3.215 20 0 DGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1(C)C ZINC000344173981 254235616 /nfs/dbraw/zinc/23/56/16/254235616.db2.gz PZNJXRURITXCKP-BHYGNILZSA-N 2 1 307.482 3.401 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000344526063 254279561 /nfs/dbraw/zinc/27/95/61/254279561.db2.gz KJXVEQQKSXCDET-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000344526063 254279563 /nfs/dbraw/zinc/27/95/63/254279563.db2.gz KJXVEQQKSXCDET-NRFANRHFSA-N 2 1 324.468 3.030 20 0 DGADMP CC(C)OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156933128 197151040 /nfs/dbraw/zinc/15/10/40/197151040.db2.gz MPBIYGQRJMOODD-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156933128 197151042 /nfs/dbraw/zinc/15/10/42/197151042.db2.gz MPBIYGQRJMOODD-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156933128 197151044 /nfs/dbraw/zinc/15/10/44/197151044.db2.gz MPBIYGQRJMOODD-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP CC(C)OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156933128 197151046 /nfs/dbraw/zinc/15/10/46/197151046.db2.gz MPBIYGQRJMOODD-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000289214926 220799872 /nfs/dbraw/zinc/79/98/72/220799872.db2.gz KTXJINIARBQFLJ-OAHLLOKOSA-N 2 1 303.381 3.006 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000294805377 224234016 /nfs/dbraw/zinc/23/40/16/224234016.db2.gz PSPGODKDLZFZHW-STQMWFEESA-N 2 1 307.388 3.499 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000120781763 195237048 /nfs/dbraw/zinc/23/70/48/195237048.db2.gz LPNBUZWIAXBMRY-QGZVFWFLSA-N 2 1 314.473 3.420 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000271593310 209042854 /nfs/dbraw/zinc/04/28/54/209042854.db2.gz TZXHFFJZNUZZHO-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000271593310 209042855 /nfs/dbraw/zinc/04/28/55/209042855.db2.gz TZXHFFJZNUZZHO-PKOBYXMFSA-N 2 1 318.505 3.428 20 0 DGADMP CSC1(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000289529531 221044423 /nfs/dbraw/zinc/04/44/23/221044423.db2.gz GMURRCUIAYYLGA-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP CSC1(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289529531 221044424 /nfs/dbraw/zinc/04/44/24/221044424.db2.gz GMURRCUIAYYLGA-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP CSC1(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289529531 221044427 /nfs/dbraw/zinc/04/44/27/221044427.db2.gz GMURRCUIAYYLGA-QGZVFWFLSA-N 2 1 304.503 3.336 20 0 DGADMP CC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000289597669 221093664 /nfs/dbraw/zinc/09/36/64/221093664.db2.gz BJDUOWAHQIDXPK-FCGDIQPGSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289776312 221218135 /nfs/dbraw/zinc/21/81/35/221218135.db2.gz XUTOKGLLQKCGOT-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289929427 221324232 /nfs/dbraw/zinc/32/42/32/221324232.db2.gz XUEHIHKZBGGFHS-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289929427 221324234 /nfs/dbraw/zinc/32/42/34/221324234.db2.gz XUEHIHKZBGGFHS-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289929427 221324236 /nfs/dbraw/zinc/32/42/36/221324236.db2.gz XUEHIHKZBGGFHS-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289929427 221324238 /nfs/dbraw/zinc/32/42/38/221324238.db2.gz XUEHIHKZBGGFHS-DFNIBXOVSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289960344 221343246 /nfs/dbraw/zinc/34/32/46/221343246.db2.gz ZBQNOWBMDNJNKO-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289960344 221343247 /nfs/dbraw/zinc/34/32/47/221343247.db2.gz ZBQNOWBMDNJNKO-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289960344 221343250 /nfs/dbraw/zinc/34/32/50/221343250.db2.gz ZBQNOWBMDNJNKO-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289960344 221343251 /nfs/dbraw/zinc/34/32/51/221343251.db2.gz ZBQNOWBMDNJNKO-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352534758 285353122 /nfs/dbraw/zinc/35/31/22/285353122.db2.gz IWBPKZRFQLFPQV-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352534758 285353129 /nfs/dbraw/zinc/35/31/29/285353129.db2.gz IWBPKZRFQLFPQV-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000352539816 285355382 /nfs/dbraw/zinc/35/53/82/285355382.db2.gz CZQWVWXACYHMOY-GFCCVEGCSA-N 2 1 302.340 3.130 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000352539816 285355384 /nfs/dbraw/zinc/35/53/84/285355384.db2.gz CZQWVWXACYHMOY-GFCCVEGCSA-N 2 1 302.340 3.130 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000353535549 285360115 /nfs/dbraw/zinc/36/01/15/285360115.db2.gz KMOIVFGZLVANIH-KRWDZBQOSA-N 2 1 304.413 3.493 20 0 DGADMP CCC[NH+]1CCC(NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000120996330 195277014 /nfs/dbraw/zinc/27/70/14/195277014.db2.gz OQXRQFITTZPOAW-SFHVURJKSA-N 2 1 319.493 3.271 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783688 195347110 /nfs/dbraw/zinc/34/71/10/195347110.db2.gz ZZWYPPJIVIECAW-DEYYWGMASA-N 2 1 315.461 3.168 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121783688 195347113 /nfs/dbraw/zinc/34/71/13/195347113.db2.gz ZZWYPPJIVIECAW-DEYYWGMASA-N 2 1 315.461 3.168 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000415040146 533353825 /nfs/dbraw/zinc/35/38/25/533353825.db2.gz KBQZPIKDVUPGLP-KSSFIOAISA-N 2 1 314.429 3.405 20 0 DGADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OCC1CCCC1 ZINC000459360781 533364101 /nfs/dbraw/zinc/36/41/01/533364101.db2.gz DRCCPOHLDMDUOU-IEBWSBKVSA-N 2 1 306.494 3.142 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCC1CCCC1 ZINC000459360781 533364106 /nfs/dbraw/zinc/36/41/06/533364106.db2.gz DRCCPOHLDMDUOU-IEBWSBKVSA-N 2 1 306.494 3.142 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OCC1CCCC1 ZINC000459360781 533364110 /nfs/dbraw/zinc/36/41/10/533364110.db2.gz DRCCPOHLDMDUOU-IEBWSBKVSA-N 2 1 306.494 3.142 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)s1 ZINC000423366683 533525020 /nfs/dbraw/zinc/52/50/20/533525020.db2.gz CTEYJCYGSDFCRD-OPRDCNLKSA-N 2 1 303.269 3.302 20 0 DGADMP C[C@@H](CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OCc1ccccc1 ZINC000429542001 533582208 /nfs/dbraw/zinc/58/22/08/533582208.db2.gz QKACOAFECDVBOU-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc2n1 ZINC000292905509 533628736 /nfs/dbraw/zinc/62/87/36/533628736.db2.gz GYMPOJPZXXNDSI-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc2n1 ZINC000292905509 533628748 /nfs/dbraw/zinc/62/87/48/533628748.db2.gz GYMPOJPZXXNDSI-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc2n1 ZINC000292905509 533628758 /nfs/dbraw/zinc/62/87/58/533628758.db2.gz GYMPOJPZXXNDSI-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309734805 533650140 /nfs/dbraw/zinc/65/01/40/533650140.db2.gz QIXXGQGZINZHOG-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP CCCCc1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357090737 285632659 /nfs/dbraw/zinc/63/26/59/285632659.db2.gz RVIGHXICLGTANU-OAHLLOKOSA-N 2 1 307.507 3.307 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751073 400098092 /nfs/dbraw/zinc/09/80/92/400098092.db2.gz UENNFNDQIBBYMU-BJLQDIEVSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751073 400098093 /nfs/dbraw/zinc/09/80/93/400098093.db2.gz UENNFNDQIBBYMU-BJLQDIEVSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751073 400098094 /nfs/dbraw/zinc/09/80/94/400098094.db2.gz UENNFNDQIBBYMU-BJLQDIEVSA-N 2 1 317.521 3.215 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078874 400100455 /nfs/dbraw/zinc/10/04/55/400100455.db2.gz BKYPKCDMQGOZIC-NVXWUHKLSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078874 400100457 /nfs/dbraw/zinc/10/04/57/400100457.db2.gz BKYPKCDMQGOZIC-NVXWUHKLSA-N 2 1 322.493 3.105 20 0 DGADMP Cc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000066812981 400121191 /nfs/dbraw/zinc/12/11/91/400121191.db2.gz YLDRKWOKEMZLHP-UHFFFAOYSA-N 2 1 324.472 3.442 20 0 DGADMP Cc1cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000066812981 400121192 /nfs/dbraw/zinc/12/11/92/400121192.db2.gz YLDRKWOKEMZLHP-UHFFFAOYSA-N 2 1 324.472 3.442 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315506873 400145138 /nfs/dbraw/zinc/14/51/38/400145138.db2.gz YWIXMGHJCZZZLM-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007657 400162313 /nfs/dbraw/zinc/16/23/13/400162313.db2.gz VCYYXXRCEZGOBI-CABCVRRESA-N 2 1 306.450 3.055 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000320007657 400162317 /nfs/dbraw/zinc/16/23/17/400162317.db2.gz VCYYXXRCEZGOBI-CABCVRRESA-N 2 1 306.450 3.055 20 0 DGADMP Cc1ccc(CSCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069546 400190283 /nfs/dbraw/zinc/19/02/83/400190283.db2.gz JPGPKUJVKULXMY-ROUUACIJSA-N 2 1 304.503 3.445 20 0 DGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC000366085975 292911985 /nfs/dbraw/zinc/91/19/85/292911985.db2.gz KOYRLUWSLASTCA-SJORKVTESA-N 2 1 306.498 3.155 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000590000285 400346781 /nfs/dbraw/zinc/34/67/81/400346781.db2.gz RECMEWTXSBFXSF-UHFFFAOYSA-N 3 1 309.542 3.306 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000611439304 400401523 /nfs/dbraw/zinc/40/15/23/400401523.db2.gz SXPAUXLMDDOANY-RHSMWYFYSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000611439304 400401529 /nfs/dbraw/zinc/40/15/29/400401529.db2.gz SXPAUXLMDDOANY-RHSMWYFYSA-N 2 1 318.461 3.214 20 0 DGADMP Cc1cccn2cc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)nc12 ZINC000590818860 400441650 /nfs/dbraw/zinc/44/16/50/400441650.db2.gz BLHFXIDERREXSG-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000590818912 400442258 /nfs/dbraw/zinc/44/22/58/400442258.db2.gz IIIPYMHVAGZJIH-UHFFFAOYSA-N 2 1 317.477 3.067 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000124295362 400474772 /nfs/dbraw/zinc/47/47/72/400474772.db2.gz XSGHJEPHWSXZPJ-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000124295362 400474777 /nfs/dbraw/zinc/47/47/77/400474777.db2.gz XSGHJEPHWSXZPJ-GOSISDBHSA-N 2 1 302.462 3.393 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)cn1 ZINC000591869344 400568470 /nfs/dbraw/zinc/56/84/70/400568470.db2.gz QOYPNOFZLFUBDI-LJQANCHMSA-N 2 1 313.445 3.169 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000047976630 400637223 /nfs/dbraw/zinc/63/72/23/400637223.db2.gz AZPWCLHONCYVKB-UHFFFAOYSA-N 2 1 317.433 3.488 20 0 DGADMP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N1CCCCC1 ZINC000077172605 400691395 /nfs/dbraw/zinc/69/13/95/400691395.db2.gz SPVWPTQSEBCJOJ-UHFFFAOYSA-N 2 1 307.526 3.060 20 0 DGADMP Cc1cc(C)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603516913 400697104 /nfs/dbraw/zinc/69/71/04/400697104.db2.gz FUCOHJAONBAJHR-IBGZPJMESA-N 2 1 302.462 3.036 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000172016028 400811205 /nfs/dbraw/zinc/81/12/05/400811205.db2.gz VGKZEBPBUJBMEU-UHFFFAOYSA-N 2 1 306.498 3.408 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000172016028 400811206 /nfs/dbraw/zinc/81/12/06/400811206.db2.gz VGKZEBPBUJBMEU-UHFFFAOYSA-N 2 1 306.498 3.408 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000604418180 400774938 /nfs/dbraw/zinc/77/49/38/400774938.db2.gz KHFJPNCXCCXGTA-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000629517961 400954821 /nfs/dbraw/zinc/95/48/21/400954821.db2.gz BTWHJLJSNWXABU-USXIJHARSA-N 2 1 301.478 3.327 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@@H]3Cc4ccccc4CO3)CC[NH2+]2)cc1 ZINC000629514909 400952538 /nfs/dbraw/zinc/95/25/38/400952538.db2.gz VQTCWTAABFWTNA-QHAWAJNXSA-N 2 1 322.452 3.211 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598961709 400912161 /nfs/dbraw/zinc/91/21/61/400912161.db2.gz YUJZRPLKILAHOJ-ZDUSSCGKSA-N 2 1 324.490 3.135 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598961709 400912166 /nfs/dbraw/zinc/91/21/66/400912166.db2.gz YUJZRPLKILAHOJ-ZDUSSCGKSA-N 2 1 324.490 3.135 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598961708 400912800 /nfs/dbraw/zinc/91/28/00/400912800.db2.gz YUJZRPLKILAHOJ-CYBMUJFWSA-N 2 1 324.490 3.135 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598961708 400912801 /nfs/dbraw/zinc/91/28/01/400912801.db2.gz YUJZRPLKILAHOJ-CYBMUJFWSA-N 2 1 324.490 3.135 20 0 DGADMP COC1CC[NH+](CCNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000080250451 400936225 /nfs/dbraw/zinc/93/62/25/400936225.db2.gz MDDVYHBSPMCTRV-UHFFFAOYSA-N 2 1 319.836 3.411 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629654890 401020152 /nfs/dbraw/zinc/02/01/52/401020152.db2.gz JFDDBSKIQGRLRZ-ZFWWWQNUSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1C(F)(F)F ZINC000629654890 401020161 /nfs/dbraw/zinc/02/01/61/401020161.db2.gz JFDDBSKIQGRLRZ-ZFWWWQNUSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCSc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561254 400975984 /nfs/dbraw/zinc/97/59/84/400975984.db2.gz IAZURDQLSSWZPK-OCCSQVGLSA-N 2 1 318.408 3.238 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561254 400975987 /nfs/dbraw/zinc/97/59/87/400975987.db2.gz IAZURDQLSSWZPK-OCCSQVGLSA-N 2 1 318.408 3.238 20 0 DGADMP CCc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563654 400977579 /nfs/dbraw/zinc/97/75/79/400977579.db2.gz QANSMVOSHROFEF-LSDHHAIUSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561679 400977782 /nfs/dbraw/zinc/97/77/82/400977782.db2.gz KIYIAOAHZXRZQQ-JKSUJKDBSA-N 2 1 314.395 3.251 20 0 DGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000629702358 401048629 /nfs/dbraw/zinc/04/86/29/401048629.db2.gz MAOWAFCYZFCTDP-CYBMUJFWSA-N 2 1 313.470 3.440 20 0 DGADMP C[NH+](C)Cc1cccc(-c2cccc(CN3CCC([NH3+])CC3)c2)c1 ZINC000629706972 401051016 /nfs/dbraw/zinc/05/10/16/401051016.db2.gz QCRQYHWLQYFMBD-UHFFFAOYSA-N 2 1 323.484 3.338 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CCC2)[C@@H](C)C1 ZINC000248886586 401079611 /nfs/dbraw/zinc/07/96/11/401079611.db2.gz QTSHPFBPDXLYAO-FUHWJXTLSA-N 2 1 316.489 3.437 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC000607155535 401023774 /nfs/dbraw/zinc/02/37/74/401023774.db2.gz ICEHQKCMIAKIDS-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC000607155535 401023784 /nfs/dbraw/zinc/02/37/84/401023784.db2.gz ICEHQKCMIAKIDS-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC000607155535 401023797 /nfs/dbraw/zinc/02/37/97/401023797.db2.gz ICEHQKCMIAKIDS-WMZOPIPTSA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1F ZINC000629671435 401031019 /nfs/dbraw/zinc/03/10/19/401031019.db2.gz AOPXLOPIRKURLM-IIAWOOMASA-N 2 1 306.425 3.012 20 0 DGADMP CC(=O)c1cccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC000629692579 401038646 /nfs/dbraw/zinc/03/86/46/401038646.db2.gz QRJXMZHXXZTUHL-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225336 286003365 /nfs/dbraw/zinc/00/33/65/286003365.db2.gz CPEWGLXHWLNDJV-KSSFIOAISA-N 2 1 316.470 3.132 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225336 286003366 /nfs/dbraw/zinc/00/33/66/286003366.db2.gz CPEWGLXHWLNDJV-KSSFIOAISA-N 2 1 316.470 3.132 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCC)c2)CC1 ZINC000061016440 401143143 /nfs/dbraw/zinc/14/31/43/401143143.db2.gz CJPWDULBTUUBRH-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249597740 401087154 /nfs/dbraw/zinc/08/71/54/401087154.db2.gz QAGHAMQAWLUEDZ-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227322 286004088 /nfs/dbraw/zinc/00/40/88/286004088.db2.gz DPRHKGBSIIHOBO-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227322 286004089 /nfs/dbraw/zinc/00/40/89/286004089.db2.gz DPRHKGBSIIHOBO-RTBURBONSA-N 2 1 304.478 3.210 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)n1 ZINC000358244560 286009509 /nfs/dbraw/zinc/00/95/09/286009509.db2.gz YYJAQUWQZBVEQL-RLFYNMQTSA-N 2 1 306.498 3.200 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)n1 ZINC000358244560 286009510 /nfs/dbraw/zinc/00/95/10/286009510.db2.gz YYJAQUWQZBVEQL-RLFYNMQTSA-N 2 1 306.498 3.200 20 0 DGADMP CCOc1cncc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000621333498 401170585 /nfs/dbraw/zinc/17/05/85/401170585.db2.gz GIIFRFVOJZSLIB-UHFFFAOYSA-N 2 1 313.445 3.222 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@H]3CCC[NH2+]C3)c2C1 ZINC000621643298 401268946 /nfs/dbraw/zinc/26/89/46/401268946.db2.gz CYXRWSPHSJKIPT-OAHLLOKOSA-N 2 1 315.461 3.131 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@H]3CCC[NH2+]C3)c2C1 ZINC000621643298 401268952 /nfs/dbraw/zinc/26/89/52/401268952.db2.gz CYXRWSPHSJKIPT-OAHLLOKOSA-N 2 1 315.461 3.131 20 0 DGADMP CC(C)(C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090589768 401270211 /nfs/dbraw/zinc/27/02/11/401270211.db2.gz SSJBZXCHDQIEJO-LJQANCHMSA-N 2 1 318.505 3.080 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000090589932 401270253 /nfs/dbraw/zinc/27/02/53/401270253.db2.gz QGCZMVUXEDBQEC-QRQLOZEOSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000090589932 401270255 /nfs/dbraw/zinc/27/02/55/401270255.db2.gz QGCZMVUXEDBQEC-QRQLOZEOSA-N 2 1 318.505 3.426 20 0 DGADMP Cc1nccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000621719173 401284050 /nfs/dbraw/zinc/28/40/50/401284050.db2.gz DQEJZISSTDNSLA-INIZCTEOSA-N 2 1 316.493 3.262 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000089552080 401226964 /nfs/dbraw/zinc/22/69/64/401226964.db2.gz FYKVXHCMPLTRCN-OCCSQVGLSA-N 2 1 316.367 3.014 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000634679294 401331424 /nfs/dbraw/zinc/33/14/24/401331424.db2.gz QCCWTPKKSKPHHW-MOPGFXCFSA-N 2 1 316.489 3.098 20 0 DGADMP c1cnc2cccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2c1 ZINC000634688460 401335680 /nfs/dbraw/zinc/33/56/80/401335680.db2.gz TVEXGAJAPJBRIO-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP CCOC1CC(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000626063292 401292335 /nfs/dbraw/zinc/29/23/35/401292335.db2.gz YQMQCEMSBUIEBM-UHFFFAOYSA-N 2 1 304.478 3.385 20 0 DGADMP CC[N@@H+](CCc1cncs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063641 401292440 /nfs/dbraw/zinc/29/24/40/401292440.db2.gz LKYSGJBHYCBPIN-UHFFFAOYSA-N 2 1 303.475 3.269 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000634996295 401397373 /nfs/dbraw/zinc/39/73/73/401397373.db2.gz FWROXSWFUVCLOJ-VYDXJSESSA-N 2 1 324.472 3.136 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000635008761 401401660 /nfs/dbraw/zinc/40/16/60/401401660.db2.gz VCPNXGYIOSIOTN-HNBVOPMISA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000635008761 401401663 /nfs/dbraw/zinc/40/16/63/401401663.db2.gz VCPNXGYIOSIOTN-HNBVOPMISA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nc2c(s1)CCCC2 ZINC000635009488 401401807 /nfs/dbraw/zinc/40/18/07/401401807.db2.gz HGPICPMIUDWEHF-CHWSQXEVSA-N 2 1 307.507 3.451 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635710841 401475434 /nfs/dbraw/zinc/47/54/34/401475434.db2.gz GVWAINFCMHNWOZ-SFHVURJKSA-N 2 1 315.461 3.014 20 0 DGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635710841 401475437 /nfs/dbraw/zinc/47/54/37/401475437.db2.gz GVWAINFCMHNWOZ-SFHVURJKSA-N 2 1 315.461 3.014 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000623086189 401462640 /nfs/dbraw/zinc/46/26/40/401462640.db2.gz AZXBESORRGTGSQ-UHFFFAOYSA-N 2 1 317.742 3.425 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000623086133 401462885 /nfs/dbraw/zinc/46/28/85/401462885.db2.gz YYWFVOLHMJCANK-UHFFFAOYSA-N 2 1 302.180 3.198 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000623086405 401463162 /nfs/dbraw/zinc/46/31/62/401463162.db2.gz OOAGGGNJNOAKHQ-UHFFFAOYSA-N 2 1 315.751 3.007 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623363263 401500601 /nfs/dbraw/zinc/50/06/01/401500601.db2.gz JYJLUPDPJRZOIE-UHFFFAOYSA-N 2 1 303.353 3.452 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623361387 401500829 /nfs/dbraw/zinc/50/08/29/401500829.db2.gz ZRJIHNKUUQZFKZ-NWDGAFQWSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1sccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623361387 401500831 /nfs/dbraw/zinc/50/08/31/401500831.db2.gz ZRJIHNKUUQZFKZ-NWDGAFQWSA-N 2 1 304.381 3.483 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000631636965 401520854 /nfs/dbraw/zinc/52/08/54/401520854.db2.gz JBOOKZBIQALVIW-NVXWUHKLSA-N 2 1 318.461 3.230 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668415 401531074 /nfs/dbraw/zinc/53/10/74/401531074.db2.gz XOXRBQALWUPFFF-QXAKKESOSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668415 401531076 /nfs/dbraw/zinc/53/10/76/401531076.db2.gz XOXRBQALWUPFFF-QXAKKESOSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000623655844 401562353 /nfs/dbraw/zinc/56/23/53/401562353.db2.gz HBWMZTNHFZEFRF-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000623655844 401562354 /nfs/dbraw/zinc/56/23/54/401562354.db2.gz HBWMZTNHFZEFRF-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000623657284 401563258 /nfs/dbraw/zinc/56/32/58/401563258.db2.gz MQUQFQRTJJEDGK-ZHALLVOQSA-N 2 1 301.478 3.429 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000623657068 401563337 /nfs/dbraw/zinc/56/33/37/401563337.db2.gz JCMJQCBNXANKPL-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000623657068 401563338 /nfs/dbraw/zinc/56/33/38/401563338.db2.gz JCMJQCBNXANKPL-ZDUSSCGKSA-N 2 1 308.853 3.096 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000623656622 401563737 /nfs/dbraw/zinc/56/37/37/401563737.db2.gz YNAQVPKRZIRZCZ-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623656622 401563739 /nfs/dbraw/zinc/56/37/39/401563739.db2.gz YNAQVPKRZIRZCZ-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656622 401563742 /nfs/dbraw/zinc/56/37/42/401563742.db2.gz YNAQVPKRZIRZCZ-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623656622 401563745 /nfs/dbraw/zinc/56/37/45/401563745.db2.gz YNAQVPKRZIRZCZ-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656622 401563746 /nfs/dbraw/zinc/56/37/46/401563746.db2.gz YNAQVPKRZIRZCZ-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(C(F)(F)F)c1 ZINC000623530319 401540490 /nfs/dbraw/zinc/54/04/90/401540490.db2.gz SRARGGBCVUVJHE-NSHDSACASA-N 2 1 304.356 3.001 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623529398 401540539 /nfs/dbraw/zinc/54/05/39/401540539.db2.gz GNSSCBLDGGEWDG-CVEARBPZSA-N 2 1 319.468 3.114 20 0 DGADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(C(F)(F)F)c1 ZINC000623530318 401540769 /nfs/dbraw/zinc/54/07/69/401540769.db2.gz SRARGGBCVUVJHE-LLVKDONJSA-N 2 1 304.356 3.001 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186306 401544530 /nfs/dbraw/zinc/54/45/30/401544530.db2.gz FUGYRVRHNUGEIQ-SFHVURJKSA-N 2 1 315.461 3.101 20 0 DGADMP Cc1ccc([C@H](C)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000628191048 401546372 /nfs/dbraw/zinc/54/63/72/401546372.db2.gz XUQMOUOGFBOQBN-VBSBHUPXSA-N 2 1 316.489 3.282 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000631749257 401549368 /nfs/dbraw/zinc/54/93/68/401549368.db2.gz OODSTVVFZNRWSS-FQEVSTJZSA-N 2 1 315.505 3.033 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000631749257 401549369 /nfs/dbraw/zinc/54/93/69/401549369.db2.gz OODSTVVFZNRWSS-FQEVSTJZSA-N 2 1 315.505 3.033 20 0 DGADMP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000623646436 401561054 /nfs/dbraw/zinc/56/10/54/401561054.db2.gz GNIBGJYUXNLNEO-FQEVSTJZSA-N 2 1 318.505 3.080 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000623647033 401561291 /nfs/dbraw/zinc/56/12/91/401561291.db2.gz WXKYNTRTXYONCL-YZGWKJHDSA-N 2 1 318.505 3.426 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000623647033 401561294 /nfs/dbraw/zinc/56/12/94/401561294.db2.gz WXKYNTRTXYONCL-YZGWKJHDSA-N 2 1 318.505 3.426 20 0 DGADMP OCC[NH2+]C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000631863785 401561934 /nfs/dbraw/zinc/56/19/34/401561934.db2.gz CPMAXSXJDGBWBO-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000624119353 401628096 /nfs/dbraw/zinc/62/80/96/401628096.db2.gz AEKYEICQXLWXKI-IAGOWNOFSA-N 3 1 312.461 3.255 20 0 DGADMP COc1cc(F)c([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121069 401628179 /nfs/dbraw/zinc/62/81/79/401628179.db2.gz NDTUBSOXAURMIP-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121069 401628182 /nfs/dbraw/zinc/62/81/82/401628182.db2.gz NDTUBSOXAURMIP-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121069 401628183 /nfs/dbraw/zinc/62/81/83/401628183.db2.gz NDTUBSOXAURMIP-ZIAGYGMSSA-N 2 1 324.440 3.225 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000624119603 401628239 /nfs/dbraw/zinc/62/82/39/401628239.db2.gz FVOAHIDEWFBQRH-WBVHZDCISA-N 2 1 320.477 3.476 20 0 DGADMP COc1cc(F)c([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121067 401628520 /nfs/dbraw/zinc/62/85/20/401628520.db2.gz NDTUBSOXAURMIP-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121067 401628521 /nfs/dbraw/zinc/62/85/21/401628521.db2.gz NDTUBSOXAURMIP-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121067 401628522 /nfs/dbraw/zinc/62/85/22/401628522.db2.gz NDTUBSOXAURMIP-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000624119623 401628530 /nfs/dbraw/zinc/62/85/30/401628530.db2.gz GINDLTSZUNHVSY-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP COC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624123335 401628979 /nfs/dbraw/zinc/62/89/79/401628979.db2.gz KCOVBZXKZUHUPD-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000624123335 401628980 /nfs/dbraw/zinc/62/89/80/401628980.db2.gz KCOVBZXKZUHUPD-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624123335 401628981 /nfs/dbraw/zinc/62/89/81/401628981.db2.gz KCOVBZXKZUHUPD-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000624300476 401648091 /nfs/dbraw/zinc/64/80/91/401648091.db2.gz IHVIHRXEWIZWKP-FSGKZVOOSA-N 2 1 314.473 3.197 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN(C)CC(F)F)cc1 ZINC000624324740 401651253 /nfs/dbraw/zinc/65/12/53/401651253.db2.gz TXKHZXPXFHGUMU-ZDUSSCGKSA-N 2 1 322.403 3.028 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508676 286080456 /nfs/dbraw/zinc/08/04/56/286080456.db2.gz LQMVGAVLPAKKHU-UHFFFAOYSA-N 2 1 302.462 3.148 20 0 DGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000358565115 286094849 /nfs/dbraw/zinc/09/48/49/286094849.db2.gz KSRYUTVZYUWDCW-UHFFFAOYSA-N 2 1 317.477 3.199 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715063 286131298 /nfs/dbraw/zinc/13/12/98/286131298.db2.gz MHSFPEIZVLXNOJ-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358715063 286131299 /nfs/dbraw/zinc/13/12/99/286131299.db2.gz MHSFPEIZVLXNOJ-NEWSRXKRSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358717038 286132062 /nfs/dbraw/zinc/13/20/62/286132062.db2.gz PQECUGMDNUNSCF-BHIYHBOVSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358717038 286132063 /nfs/dbraw/zinc/13/20/63/286132063.db2.gz PQECUGMDNUNSCF-BHIYHBOVSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000359147204 286248167 /nfs/dbraw/zinc/24/81/67/286248167.db2.gz DTDYEEDPWVVBJF-YJBOKZPZSA-N 2 1 317.477 3.340 20 0 DGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422968122 292247859 /nfs/dbraw/zinc/24/78/59/292247859.db2.gz VQPGNUHIYDAIMZ-GMBSWORKSA-N 2 1 312.413 3.495 20 0 DGADMP c1ccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000359377836 286295878 /nfs/dbraw/zinc/29/58/78/286295878.db2.gz ZAXANZXUKQTQNT-IBGZPJMESA-N 2 1 314.473 3.372 20 0 DGADMP CC[C@H](COC)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000359924827 286389680 /nfs/dbraw/zinc/38/96/80/286389680.db2.gz JHTMOAJKWZXBDG-VQIMIIECSA-N 2 1 304.478 3.433 20 0 DGADMP COC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364350838 287017069 /nfs/dbraw/zinc/01/70/69/287017069.db2.gz DPOCYLHTMWIUNB-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000364358394 287017857 /nfs/dbraw/zinc/01/78/57/287017857.db2.gz LSHHSFCZSBSQJT-HSALFYBXSA-N 2 1 321.553 3.303 20 0 DGADMP CC[C@H]1[C@H](C)CC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000185637021 165011232 /nfs/dbraw/zinc/01/12/32/165011232.db2.gz KGFGUYXBQZFCBD-SKDZVZGDSA-N 2 1 315.461 3.134 20 0 DGADMP CCN(C)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000190772315 165215011 /nfs/dbraw/zinc/21/50/11/165215011.db2.gz IUNDQFLOVCSTRS-KRWDZBQOSA-N 2 1 318.509 3.139 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000191589932 165259071 /nfs/dbraw/zinc/25/90/71/165259071.db2.gz DCTJIXZSCPHRDE-KRWDZBQOSA-N 2 1 318.509 3.280 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000191788374 165269763 /nfs/dbraw/zinc/26/97/63/165269763.db2.gz PMFYWZCYVHHRQA-LJQANCHMSA-N 2 1 322.468 3.303 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191952780 165277709 /nfs/dbraw/zinc/27/77/09/165277709.db2.gz UAOYLAIWWNMQGR-QGZVFWFLSA-N 2 1 321.428 3.283 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000192099885 165280547 /nfs/dbraw/zinc/28/05/47/165280547.db2.gz AZJWMEZRVWDQFP-UHFFFAOYSA-N 2 1 312.461 3.143 20 0 DGADMP C[C@H](OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192620231 165298833 /nfs/dbraw/zinc/29/88/33/165298833.db2.gz NIDZKQPGTJRKAV-UXDRXVOSSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000192761526 165305767 /nfs/dbraw/zinc/30/57/67/165305767.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192761526 165305772 /nfs/dbraw/zinc/30/57/72/165305772.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192761526 165305776 /nfs/dbraw/zinc/30/57/76/165305776.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000192761526 165305785 /nfs/dbraw/zinc/30/57/85/165305785.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000192761526 165305788 /nfs/dbraw/zinc/30/57/88/165305788.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192761526 165305794 /nfs/dbraw/zinc/30/57/94/165305794.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192761526 165305798 /nfs/dbraw/zinc/30/57/98/165305798.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 1 315.505 3.242 20 0 DGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccc(Cl)cc1 ZINC000192913299 165309602 /nfs/dbraw/zinc/30/96/02/165309602.db2.gz MJABWDTWHYPRKD-WWTUQBGBSA-N 2 1 308.853 3.322 20 0 DGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1F ZINC000192931452 165310693 /nfs/dbraw/zinc/31/06/93/165310693.db2.gz SLFFOIXTSVBYNT-WTXIUTQJSA-N 2 1 306.425 3.198 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193203479 165319981 /nfs/dbraw/zinc/31/99/81/165319981.db2.gz YHDRVXFJPMJIBC-IHWFROFDSA-N 3 1 315.505 3.243 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193203479 165319985 /nfs/dbraw/zinc/31/99/85/165319985.db2.gz YHDRVXFJPMJIBC-IHWFROFDSA-N 2 1 315.505 3.243 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193203479 165319987 /nfs/dbraw/zinc/31/99/87/165319987.db2.gz YHDRVXFJPMJIBC-IHWFROFDSA-N 2 1 315.505 3.243 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000219685982 165379438 /nfs/dbraw/zinc/37/94/38/165379438.db2.gz JGODGIIREFCYSI-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000219685982 165379441 /nfs/dbraw/zinc/37/94/41/165379441.db2.gz JGODGIIREFCYSI-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP Clc1ccc2c(NCC[NH+]3CCSCC3)cc[nH+]c2c1 ZINC000226230637 165383852 /nfs/dbraw/zinc/38/38/52/165383852.db2.gz NAOAIDXVJVRQAD-UHFFFAOYSA-N 2 1 307.850 3.349 20 0 DGADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000245574207 165466859 /nfs/dbraw/zinc/46/68/59/165466859.db2.gz DGNNXMJLOGIQIT-YYIAUSFCSA-N 2 1 320.477 3.028 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)C ZINC000248454134 165624536 /nfs/dbraw/zinc/62/45/36/165624536.db2.gz QXHRUSMLGPFGJQ-RBUKOAKNSA-N 2 1 304.478 3.168 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000250125777 165689128 /nfs/dbraw/zinc/68/91/28/165689128.db2.gz WEWBVODVEWGXES-FNHZYXHNSA-N 2 1 313.445 3.382 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000129043987 196013885 /nfs/dbraw/zinc/01/38/85/196013885.db2.gz YFMPYWCFIRVPQG-NXHRZFHOSA-N 2 1 319.468 3.175 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000129043987 196013887 /nfs/dbraw/zinc/01/38/87/196013887.db2.gz YFMPYWCFIRVPQG-NXHRZFHOSA-N 2 1 319.468 3.175 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000129139771 196022723 /nfs/dbraw/zinc/02/27/23/196022723.db2.gz FCNKRRIOPSLHJY-HZMBPMFUSA-N 2 1 315.230 3.161 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000129139771 196022725 /nfs/dbraw/zinc/02/27/25/196022725.db2.gz FCNKRRIOPSLHJY-HZMBPMFUSA-N 2 1 315.230 3.161 20 0 DGADMP CC(C)(C)n1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246839650 432172036 /nfs/dbraw/zinc/17/20/36/432172036.db2.gz RWEKJQYHVXGXDZ-FUHWJXTLSA-N 2 1 316.493 3.087 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000246820584 432169110 /nfs/dbraw/zinc/16/91/10/432169110.db2.gz AOSOFSNDKUOAHB-RRFJBIMHSA-N 2 1 306.450 3.227 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CCOCC2)CC1 ZINC000171827756 432177264 /nfs/dbraw/zinc/17/72/64/432177264.db2.gz RYFXUXQJXUIQQE-UHFFFAOYSA-N 2 1 316.489 3.257 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000246928332 432181470 /nfs/dbraw/zinc/18/14/70/432181470.db2.gz GZYVFWJTQKGGMV-NVXWUHKLSA-N 2 1 312.461 3.173 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246841467 432172586 /nfs/dbraw/zinc/17/25/86/432172586.db2.gz CEVPVUPWYGNVRG-VQIMIIECSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246956464 432184646 /nfs/dbraw/zinc/18/46/46/432184646.db2.gz IJODXQQIDOQEEG-MTHXSQLBSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246956464 432184649 /nfs/dbraw/zinc/18/46/49/432184649.db2.gz IJODXQQIDOQEEG-MTHXSQLBSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246956464 432184651 /nfs/dbraw/zinc/18/46/51/432184651.db2.gz IJODXQQIDOQEEG-MTHXSQLBSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C1 ZINC000246956464 432184653 /nfs/dbraw/zinc/18/46/53/432184653.db2.gz IJODXQQIDOQEEG-MTHXSQLBSA-N 2 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C1 ZINC000246956464 432184656 /nfs/dbraw/zinc/18/46/56/432184656.db2.gz IJODXQQIDOQEEG-MTHXSQLBSA-N 2 1 309.542 3.063 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246959885 432185131 /nfs/dbraw/zinc/18/51/31/432185131.db2.gz IOJUVWBENTWGJM-CWQOZTLDSA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246959885 432185133 /nfs/dbraw/zinc/18/51/33/432185133.db2.gz IOJUVWBENTWGJM-CWQOZTLDSA-N 2 1 309.542 3.061 20 0 DGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246959885 432185135 /nfs/dbraw/zinc/18/51/35/432185135.db2.gz IOJUVWBENTWGJM-CWQOZTLDSA-N 2 1 309.542 3.061 20 0 DGADMP c1ccc(COCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000182414217 432188427 /nfs/dbraw/zinc/18/84/27/432188427.db2.gz MPIAPMHNAMDOJT-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2nccn2C)cc1 ZINC000172013648 432190733 /nfs/dbraw/zinc/19/07/33/432190733.db2.gz VTGRYXOYWVWGCS-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3(O)CCC(C)CC3)C2)[nH+]1 ZINC000130754113 196106968 /nfs/dbraw/zinc/10/69/68/196106968.db2.gz REMHKMCRFAGNET-URSIVYNOSA-N 2 1 317.477 3.065 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@H+](CC3(O)CCC(C)CC3)C2)[nH+]1 ZINC000130754113 196106969 /nfs/dbraw/zinc/10/69/69/196106969.db2.gz REMHKMCRFAGNET-URSIVYNOSA-N 2 1 317.477 3.065 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000247115806 432204266 /nfs/dbraw/zinc/20/42/66/432204266.db2.gz UEKZZKIMMBKDLW-GJZGRUSLSA-N 2 1 321.534 3.274 20 0 DGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000269733162 432204504 /nfs/dbraw/zinc/20/45/04/432204504.db2.gz VFPVXBFDVYHSKX-GOSISDBHSA-N 2 1 315.461 3.094 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000191070569 432217173 /nfs/dbraw/zinc/21/71/73/432217173.db2.gz POLVUSOECQMGFD-ZDUSSCGKSA-N 2 1 300.368 3.397 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000132142769 196229600 /nfs/dbraw/zinc/22/96/00/196229600.db2.gz MTLTUUJTOQVWMN-HNNXBMFYSA-N 2 1 317.477 3.052 20 0 DGADMP COc1cc(C)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000132252391 196238938 /nfs/dbraw/zinc/23/89/38/196238938.db2.gz XFMGKAQEYCKEPI-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000132252391 196238939 /nfs/dbraw/zinc/23/89/39/196238939.db2.gz XFMGKAQEYCKEPI-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP COc1cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000132252391 196238941 /nfs/dbraw/zinc/23/89/41/196238941.db2.gz XFMGKAQEYCKEPI-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP COc1cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000132252391 196238943 /nfs/dbraw/zinc/23/89/43/196238943.db2.gz XFMGKAQEYCKEPI-QGZVFWFLSA-N 2 1 320.477 3.318 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193949609 287268681 /nfs/dbraw/zinc/26/86/81/287268681.db2.gz ILJZNWLJXBZOSE-BRSBDYLESA-N 2 1 306.494 3.188 20 0 DGADMP Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000133066361 196308941 /nfs/dbraw/zinc/30/89/41/196308941.db2.gz VKQDWHSSMOTONM-AWEZNQCLSA-N 2 1 323.444 3.496 20 0 DGADMP C[N@H+](CC[NH2+]C1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000133263088 196326225 /nfs/dbraw/zinc/32/62/25/196326225.db2.gz ARBDQHOECPXQFG-UHFFFAOYSA-N 2 1 301.478 3.119 20 0 DGADMP C[N@@H+](CC[NH2+]C1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000133263088 196326226 /nfs/dbraw/zinc/32/62/26/196326226.db2.gz ARBDQHOECPXQFG-UHFFFAOYSA-N 2 1 301.478 3.119 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(Br)c1 ZINC000133297637 196328491 /nfs/dbraw/zinc/32/84/91/196328491.db2.gz ZWEKUJSLPRGJDF-NSHDSACASA-N 2 1 305.285 3.316 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(Br)c1 ZINC000133297637 196328493 /nfs/dbraw/zinc/32/84/93/196328493.db2.gz ZWEKUJSLPRGJDF-NSHDSACASA-N 2 1 305.285 3.316 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000271640944 209085683 /nfs/dbraw/zinc/08/56/83/209085683.db2.gz DULZJDZBQIBQKR-LLVKDONJSA-N 2 1 319.359 3.287 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422855437 287355592 /nfs/dbraw/zinc/35/55/92/287355592.db2.gz DXKIEGQOXNFICR-AHRSYUTCSA-N 3 1 315.505 3.136 20 0 DGADMP Cn1c2ccc(NC3CC[NH+](C4CC4)CC3)cc2[nH+]c1C1CC1 ZINC000297327983 227014764 /nfs/dbraw/zinc/01/47/64/227014764.db2.gz CRAQIIAVFZRSIG-UHFFFAOYSA-N 2 1 310.445 3.489 20 0 DGADMP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000291207603 222223118 /nfs/dbraw/zinc/22/31/18/222223118.db2.gz MMLZFRNXSUFOAR-LJQANCHMSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(C[NH+](C)C)c1 ZINC000298119816 228365337 /nfs/dbraw/zinc/36/53/37/228365337.db2.gz MSEFTWIJHNHRCR-OWCLPIDISA-N 2 1 317.477 3.256 20 0 DGADMP Cc1cccc([C@H](CNc2cc[nH+]c(C)c2)[NH+]2CCOCC2)c1 ZINC000302212350 230167937 /nfs/dbraw/zinc/16/79/37/230167937.db2.gz DUIXQOXSTNWFLH-IBGZPJMESA-N 2 1 311.429 3.184 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1(C)C ZINC000183193470 263599116 /nfs/dbraw/zinc/59/91/16/263599116.db2.gz ZRSCIWGZLPPAHG-CIRFHOKZSA-N 2 1 308.510 3.433 20 0 DGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192771289 263783976 /nfs/dbraw/zinc/78/39/76/263783976.db2.gz ZNEUZLOOAKMSFD-RTBURBONSA-N 2 1 309.542 3.303 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000346332479 264012327 /nfs/dbraw/zinc/01/23/27/264012327.db2.gz UNQYXUJXFNIJRC-UHFFFAOYSA-N 2 1 309.335 3.489 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346635696 264070181 /nfs/dbraw/zinc/07/01/81/264070181.db2.gz HLVHSQDOIHENOU-TZMCWYRMSA-N 2 1 318.852 3.003 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000346647748 264073064 /nfs/dbraw/zinc/07/30/64/264073064.db2.gz BFMDEBFCOGRQBC-INIZCTEOSA-N 2 1 308.466 3.289 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660948 264074272 /nfs/dbraw/zinc/07/42/72/264074272.db2.gz AOPMETSDEHVPDM-MWLCHTKSSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000346660948 264074275 /nfs/dbraw/zinc/07/42/75/264074275.db2.gz AOPMETSDEHVPDM-MWLCHTKSSA-N 2 1 304.768 3.111 20 0 DGADMP CCCOc1c(C[N@H+](C)CC(C)(C)C[NH3+])cccc1OCC ZINC000346694227 264081735 /nfs/dbraw/zinc/08/17/35/264081735.db2.gz STTLTHNMXFWMKS-UHFFFAOYSA-N 2 1 308.466 3.291 20 0 DGADMP CCCOc1c(C[N@@H+](C)CC(C)(C)C[NH3+])cccc1OCC ZINC000346694227 264081738 /nfs/dbraw/zinc/08/17/38/264081738.db2.gz STTLTHNMXFWMKS-UHFFFAOYSA-N 2 1 308.466 3.291 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC000346832526 264105721 /nfs/dbraw/zinc/10/57/21/264105721.db2.gz QWSPGDMYRVCNEN-GUDVDZBRSA-N 2 1 307.441 3.308 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346851207 264108887 /nfs/dbraw/zinc/10/88/87/264108887.db2.gz QVKIONDIQXNFFX-CRAIPNDOSA-N 2 1 312.461 3.193 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346851207 264108888 /nfs/dbraw/zinc/10/88/88/264108888.db2.gz QVKIONDIQXNFFX-CRAIPNDOSA-N 2 1 312.461 3.193 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C)c1 ZINC000346859512 264110361 /nfs/dbraw/zinc/11/03/61/264110361.db2.gz SHWMPUPZBYSFFR-OAHLLOKOSA-N 2 1 320.477 3.304 20 0 DGADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H]1CCC[NH2+]C1 ZINC000346859983 264110758 /nfs/dbraw/zinc/11/07/58/264110758.db2.gz ZPFJENVVQKAIGW-MRXNPFEDSA-N 2 1 313.445 3.206 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347026429 264142782 /nfs/dbraw/zinc/14/27/82/264142782.db2.gz TXKZVQXTLMHWBG-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347034849 264144042 /nfs/dbraw/zinc/14/40/42/264144042.db2.gz DAODZXINZSSHDD-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347034849 264144044 /nfs/dbraw/zinc/14/40/44/264144044.db2.gz DAODZXINZSSHDD-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)C[C@H]1C ZINC000347061391 264150215 /nfs/dbraw/zinc/15/02/15/264150215.db2.gz UOQFSLJCONFRTB-FHLIZLRMSA-N 2 1 324.896 3.048 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347078502 264152660 /nfs/dbraw/zinc/15/26/60/264152660.db2.gz VVAZUHCMKILKAB-QGZVFWFLSA-N 3 1 317.521 3.204 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000347078502 264152663 /nfs/dbraw/zinc/15/26/63/264152663.db2.gz VVAZUHCMKILKAB-QGZVFWFLSA-N 2 1 317.521 3.204 20 0 DGADMP C[NH2+]CC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347125158 264161762 /nfs/dbraw/zinc/16/17/62/264161762.db2.gz XOFAMAWUYRQXBH-UHFFFAOYSA-N 3 1 317.521 3.076 20 0 DGADMP C[NH2+]CC1CC[NH+](CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000347125158 264161764 /nfs/dbraw/zinc/16/17/64/264161764.db2.gz XOFAMAWUYRQXBH-UHFFFAOYSA-N 2 1 317.521 3.076 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217903 264177441 /nfs/dbraw/zinc/17/74/41/264177441.db2.gz SAQKBNGKCJWYAE-GOEBONIOSA-N 2 1 304.482 3.027 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000347217903 264177443 /nfs/dbraw/zinc/17/74/43/264177443.db2.gz SAQKBNGKCJWYAE-GOEBONIOSA-N 2 1 304.482 3.027 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347228043 264178939 /nfs/dbraw/zinc/17/89/39/264178939.db2.gz WZSBKYDSYVIONV-RDJZCZTQSA-N 2 1 320.477 3.433 20 0 DGADMP CN1CC[C@@H](C[N@@H+](C)C[C@@H]2Cc3ccccc32)[C@@H]1c1cccnc1 ZINC000347259254 264184542 /nfs/dbraw/zinc/18/45/42/264184542.db2.gz YJDASOZNIARNEJ-ZJOUEHCJSA-N 2 1 321.468 3.346 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348088666 264337646 /nfs/dbraw/zinc/33/76/46/264337646.db2.gz RSPBSPTWROLIHP-RDBSUJKOSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348088666 264337648 /nfs/dbraw/zinc/33/76/48/264337648.db2.gz RSPBSPTWROLIHP-RDBSUJKOSA-N 2 1 322.415 3.196 20 0 DGADMP COC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1F ZINC000348099628 264340399 /nfs/dbraw/zinc/34/03/99/264340399.db2.gz CCGJGAKTOGEIIU-ZOWXZIJZSA-N 2 1 314.832 3.239 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348113511 264343513 /nfs/dbraw/zinc/34/35/13/264343513.db2.gz XCSKMAWMKCRMRE-RBSFLKMASA-N 2 1 322.415 3.341 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000348260226 264377365 /nfs/dbraw/zinc/37/73/65/264377365.db2.gz BQSJUNCZUZFZPR-SCTDSRPQSA-N 2 1 318.509 3.309 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000348260226 264377366 /nfs/dbraw/zinc/37/73/66/264377366.db2.gz BQSJUNCZUZFZPR-SCTDSRPQSA-N 2 1 318.509 3.309 20 0 DGADMP Cc1[nH+]ccn1CCCCN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000348260224 264377377 /nfs/dbraw/zinc/37/73/77/264377377.db2.gz BQSJUNCZUZFZPR-LMMKCTJWSA-N 2 1 318.509 3.309 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)cc1 ZINC000348300913 264384649 /nfs/dbraw/zinc/38/46/49/264384649.db2.gz IKUSISUPSGSSPW-RHSMWYFYSA-N 2 1 301.434 3.096 20 0 DGADMP CC1(C)CC[C@@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000348317775 264388751 /nfs/dbraw/zinc/38/87/51/264388751.db2.gz BBVHRKQACOGURM-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)CC[C@@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000348317775 264388753 /nfs/dbraw/zinc/38/87/53/264388753.db2.gz BBVHRKQACOGURM-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP CC1(C)CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000348317775 264388754 /nfs/dbraw/zinc/38/87/54/264388754.db2.gz BBVHRKQACOGURM-OTWHNJEPSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](C)CC1CCOCC1 ZINC000350015625 264572649 /nfs/dbraw/zinc/57/26/49/264572649.db2.gz QULLUXRCTJUCKR-MAUKXSAKSA-N 2 1 305.466 3.109 20 0 DGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](C)CC1CCOCC1 ZINC000350015625 264572651 /nfs/dbraw/zinc/57/26/51/264572651.db2.gz QULLUXRCTJUCKR-MAUKXSAKSA-N 2 1 305.466 3.109 20 0 DGADMP C[C@@H](F)CC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000352377801 265023960 /nfs/dbraw/zinc/02/39/60/265023960.db2.gz YZXGHNQUVKRPFU-ZIAGYGMSSA-N 2 1 311.470 3.178 20 0 DGADMP C[C@@H](F)CC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000352377801 265023961 /nfs/dbraw/zinc/02/39/61/265023961.db2.gz YZXGHNQUVKRPFU-ZIAGYGMSSA-N 2 1 311.470 3.178 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000352478112 265063950 /nfs/dbraw/zinc/06/39/50/265063950.db2.gz SHJQEQAXWVUQDV-CYBMUJFWSA-N 2 1 300.805 3.061 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccc(F)cc1Cl ZINC000352478112 265063953 /nfs/dbraw/zinc/06/39/53/265063953.db2.gz SHJQEQAXWVUQDV-CYBMUJFWSA-N 2 1 300.805 3.061 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1cc(-c2ccco2)on1)CC1CCCC1 ZINC000352487435 265066792 /nfs/dbraw/zinc/06/67/92/265066792.db2.gz DZUBBBDUKCEPLD-UHFFFAOYSA-N 2 1 303.406 3.276 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cc(-c2ccco2)on1)CC1CCCC1 ZINC000352487435 265066798 /nfs/dbraw/zinc/06/67/98/265066798.db2.gz DZUBBBDUKCEPLD-UHFFFAOYSA-N 2 1 303.406 3.276 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(SC)cc1OC ZINC000352546646 265084223 /nfs/dbraw/zinc/08/42/23/265084223.db2.gz YIRJPYKIAAIWAK-AWEZNQCLSA-N 2 1 324.490 3.129 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(SC)cc1OC ZINC000352546646 265084226 /nfs/dbraw/zinc/08/42/26/265084226.db2.gz YIRJPYKIAAIWAK-AWEZNQCLSA-N 2 1 324.490 3.129 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000352609913 265104760 /nfs/dbraw/zinc/10/47/60/265104760.db2.gz XDIFDGUVMGCKLF-GOSISDBHSA-N 2 1 308.441 3.067 20 0 DGADMP CS[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000352730988 265143965 /nfs/dbraw/zinc/14/39/65/265143965.db2.gz HQDZNQCGVOPWEO-LBPRGKRZSA-N 2 1 301.525 3.072 20 0 DGADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Cc1cccs1 ZINC000352752391 265152359 /nfs/dbraw/zinc/15/23/59/265152359.db2.gz YNZIIBLNEKVGON-GFCCVEGCSA-N 2 1 309.504 3.235 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Cl)s2)s1 ZINC000352764670 265158359 /nfs/dbraw/zinc/15/83/59/265158359.db2.gz FUJIRCBNDMFDOJ-UHFFFAOYSA-N 2 1 315.895 3.252 20 0 DGADMP Cc1ccc([C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352765441 265158407 /nfs/dbraw/zinc/15/84/07/265158407.db2.gz KNEHGLADHWFTSH-AWEZNQCLSA-N 2 1 303.475 3.406 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCC2 ZINC000352771399 265160002 /nfs/dbraw/zinc/16/00/02/265160002.db2.gz OOGZMCGEQWZWRI-GJZGRUSLSA-N 2 1 323.506 3.032 20 0 DGADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352813101 265179623 /nfs/dbraw/zinc/17/96/23/265179623.db2.gz JNEJFTKQUIPTLY-GFCCVEGCSA-N 2 1 307.438 3.065 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000352819987 265181360 /nfs/dbraw/zinc/18/13/60/265181360.db2.gz BQRCRVNHWLXGRY-UONOGXRCSA-N 2 1 316.367 3.373 20 0 DGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000352821585 265181443 /nfs/dbraw/zinc/18/14/43/265181443.db2.gz QEJVEZGRAJWHNL-HXUWFJFHSA-N 2 1 323.484 3.298 20 0 DGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000352821585 265181449 /nfs/dbraw/zinc/18/14/49/265181449.db2.gz QEJVEZGRAJWHNL-HXUWFJFHSA-N 2 1 323.484 3.298 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000352822833 265183825 /nfs/dbraw/zinc/18/38/25/265183825.db2.gz HIBKEMMTWYNCNF-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000352822833 265183831 /nfs/dbraw/zinc/18/38/31/265183831.db2.gz HIBKEMMTWYNCNF-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP Oc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc(C(F)(F)F)c1 ZINC000352853281 265198607 /nfs/dbraw/zinc/19/86/07/265198607.db2.gz MYSQTUGSVRIZBT-UHFFFAOYSA-N 2 1 316.367 3.377 20 0 DGADMP CN1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931197 265235489 /nfs/dbraw/zinc/23/54/89/265235489.db2.gz NCGIPODRFCYKEA-QUCCMNQESA-N 2 1 307.441 3.275 20 0 DGADMP C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931197 265235494 /nfs/dbraw/zinc/23/54/94/265235494.db2.gz NCGIPODRFCYKEA-QUCCMNQESA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931197 265235497 /nfs/dbraw/zinc/23/54/97/265235497.db2.gz NCGIPODRFCYKEA-QUCCMNQESA-N 2 1 307.441 3.275 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191188547 432231913 /nfs/dbraw/zinc/23/19/13/432231913.db2.gz WFRMGFMDIPGUFH-UHFFFAOYSA-N 2 1 315.465 3.001 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000355229113 266007256 /nfs/dbraw/zinc/00/72/56/266007256.db2.gz YGFFNKTZMVOYHF-SUMDDJOVSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2ccccc2o1 ZINC000355229113 266007260 /nfs/dbraw/zinc/00/72/60/266007260.db2.gz YGFFNKTZMVOYHF-SUMDDJOVSA-N 2 1 314.429 3.116 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C)cn2)CC1)CC1CC1 ZINC000355895571 266221899 /nfs/dbraw/zinc/22/18/99/266221899.db2.gz WFQPXCPUNQVBBA-UHFFFAOYSA-N 2 1 316.493 3.119 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191265781 432242633 /nfs/dbraw/zinc/24/26/33/432242633.db2.gz FKDFDMRSNRASGQ-UONOGXRCSA-N 2 1 303.454 3.264 20 0 DGADMP Cc1ccc(C(=O)CCN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000359870158 271004750 /nfs/dbraw/zinc/00/47/50/271004750.db2.gz DVECLJACEYJZRH-SFHVURJKSA-N 2 1 302.462 3.374 20 0 DGADMP Cc1ccc(C(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000359870158 271004752 /nfs/dbraw/zinc/00/47/52/271004752.db2.gz DVECLJACEYJZRH-SFHVURJKSA-N 2 1 302.462 3.374 20 0 DGADMP Cc1ccc(C(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000359870158 271004754 /nfs/dbraw/zinc/00/47/54/271004754.db2.gz DVECLJACEYJZRH-SFHVURJKSA-N 2 1 302.462 3.374 20 0 DGADMP C[N@H+](CCOC(c1ccccc1)c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000359903954 271015202 /nfs/dbraw/zinc/01/52/02/271015202.db2.gz SPMGOHMFJJCFJZ-HXUWFJFHSA-N 2 1 324.468 3.462 20 0 DGADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000359903954 271015207 /nfs/dbraw/zinc/01/52/07/271015207.db2.gz SPMGOHMFJJCFJZ-HXUWFJFHSA-N 2 1 324.468 3.462 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000362506075 271034311 /nfs/dbraw/zinc/03/43/11/271034311.db2.gz QDSJASMDQXUYEH-ZDUSSCGKSA-N 2 1 319.474 3.058 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000367697192 271065486 /nfs/dbraw/zinc/06/54/86/271065486.db2.gz BYDNUHZVHSZKTG-GOEBONIOSA-N 2 1 310.388 3.204 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370739529 271387006 /nfs/dbraw/zinc/38/70/06/271387006.db2.gz NRVDULBISLNMHZ-UHFFFAOYSA-N 2 1 324.509 3.164 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)[C@@H](C)C1 ZINC000247967204 432257179 /nfs/dbraw/zinc/25/71/79/432257179.db2.gz IGVFVDLFGCMZHM-WBAXXEDZSA-N 2 1 323.912 3.263 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000153749971 274022687 /nfs/dbraw/zinc/02/26/87/274022687.db2.gz NMSLRHSUHUXZMN-JSGCOSHPSA-N 2 1 314.520 3.231 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000153749971 274022688 /nfs/dbraw/zinc/02/26/88/274022688.db2.gz NMSLRHSUHUXZMN-JSGCOSHPSA-N 2 1 314.520 3.231 20 0 DGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423329688 274117361 /nfs/dbraw/zinc/11/73/61/274117361.db2.gz OURVWRHUYDMHII-ACJLOTCBSA-N 2 1 302.393 3.055 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)c2cccc(Br)c21 ZINC000423267248 274393060 /nfs/dbraw/zinc/39/30/60/274393060.db2.gz CPKKNXGRSLPTAC-FZQKWOKYSA-N 2 1 309.251 3.324 20 0 DGADMP C[C@@](C[NH3+])([NH2+]CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000430595029 274447632 /nfs/dbraw/zinc/44/76/32/274447632.db2.gz TUVPUQBPHFLZOS-HNNXBMFYSA-N 2 1 316.367 3.191 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CC3 ZINC000423047692 274766784 /nfs/dbraw/zinc/76/67/84/274766784.db2.gz VJXSLKCMMCXVCW-KGLIPLIRSA-N 2 1 320.440 3.492 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CCC1 ZINC000414881927 274942575 /nfs/dbraw/zinc/94/25/75/274942575.db2.gz LICIOJGAWSTUFX-UHFFFAOYSA-N 2 1 306.356 3.412 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCCO2)cc1 ZINC000339068859 275068649 /nfs/dbraw/zinc/06/86/49/275068649.db2.gz IAVXBQMBSYBGLZ-MKXGPGLRSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCCO2)cc1 ZINC000339068859 275068651 /nfs/dbraw/zinc/06/86/51/275068651.db2.gz IAVXBQMBSYBGLZ-MKXGPGLRSA-N 2 1 300.446 3.123 20 0 DGADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414785358 275369027 /nfs/dbraw/zinc/36/90/27/275369027.db2.gz SNHXIJYPTXDUTR-CABCVRRESA-N 2 1 323.278 3.271 20 0 DGADMP COCC[N@@H+](CCCc1ccccc1)CCCn1cc[nH+]c1C ZINC000270573307 432260586 /nfs/dbraw/zinc/26/05/86/432260586.db2.gz BHSUUDAUCGHORZ-UHFFFAOYSA-N 2 1 315.461 3.163 20 0 DGADMP COCC[N@H+](CCCc1ccccc1)CCCn1cc[nH+]c1C ZINC000270573307 432260591 /nfs/dbraw/zinc/26/05/91/432260591.db2.gz BHSUUDAUCGHORZ-UHFFFAOYSA-N 2 1 315.461 3.163 20 0 DGADMP CCC[C@H](C)C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427885 276039518 /nfs/dbraw/zinc/03/95/18/276039518.db2.gz OYBCIXDJRLORQS-DLBZAZTESA-N 2 1 318.509 3.283 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422739486 276076271 /nfs/dbraw/zinc/07/62/71/276076271.db2.gz LMDLIEKKBLVOPV-PMACEKPBSA-N 2 1 309.457 3.373 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422739486 276076273 /nfs/dbraw/zinc/07/62/73/276076273.db2.gz LMDLIEKKBLVOPV-PMACEKPBSA-N 3 1 309.457 3.373 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422739486 276076274 /nfs/dbraw/zinc/07/62/74/276076274.db2.gz LMDLIEKKBLVOPV-PMACEKPBSA-N 3 1 309.457 3.373 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000248825615 276229460 /nfs/dbraw/zinc/22/94/60/276229460.db2.gz KCSJBNNFCOLILW-WNHJNPCNSA-N 2 1 302.462 3.084 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193158496 277031194 /nfs/dbraw/zinc/03/11/94/277031194.db2.gz PSOKMYFQEICHQG-OAHLLOKOSA-N 2 1 309.251 3.120 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453085724 277031521 /nfs/dbraw/zinc/03/15/21/277031521.db2.gz NFYXOKMGBPLYKP-QZTJIDSGSA-N 2 1 322.880 3.114 20 0 DGADMP C[NH2+]CCC[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000414862987 277268414 /nfs/dbraw/zinc/26/84/14/277268414.db2.gz WNTHPUXWNDRJKP-UHFFFAOYSA-N 2 1 314.477 3.177 20 0 DGADMP COCc1nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(-c2ccccc2)s1 ZINC000423104056 277614487 /nfs/dbraw/zinc/61/44/87/277614487.db2.gz PRRLPZQKBJHADX-OLZOCXBDSA-N 2 1 319.474 3.172 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000282118096 278267837 /nfs/dbraw/zinc/26/78/37/278267837.db2.gz QITDEBRMZGMFEP-AEGPPILISA-N 2 1 312.379 3.302 20 0 DGADMP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000282118096 278267839 /nfs/dbraw/zinc/26/78/39/278267839.db2.gz QITDEBRMZGMFEP-AEGPPILISA-N 2 1 312.379 3.302 20 0 DGADMP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000282118096 278267840 /nfs/dbraw/zinc/26/78/40/278267840.db2.gz QITDEBRMZGMFEP-AEGPPILISA-N 2 1 312.379 3.302 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397583 278282364 /nfs/dbraw/zinc/28/23/64/278282364.db2.gz IBSARLPISGJQGP-DAYGRLMNSA-N 2 1 316.493 3.040 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000278882803 278352132 /nfs/dbraw/zinc/35/21/32/278352132.db2.gz CSQHYBZUUWWMRG-KGLIPLIRSA-N 2 1 316.424 3.001 20 0 DGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423260227 278379837 /nfs/dbraw/zinc/37/98/37/278379837.db2.gz GZIVFCUYJKUMDN-DNVCBOLYSA-N 2 1 312.461 3.431 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(=O)OC)cc1 ZINC000340188012 288070295 /nfs/dbraw/zinc/07/02/95/288070295.db2.gz ZNQPAXYHFZMENE-SQNIBIBYSA-N 2 1 316.445 3.141 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422726904 279165068 /nfs/dbraw/zinc/16/50/68/279165068.db2.gz ASNHSCFCBXRRGV-BHIYHBOVSA-N 2 1 303.494 3.047 20 0 DGADMP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000158966732 279230849 /nfs/dbraw/zinc/23/08/49/279230849.db2.gz SLLLVVCYBBGDGP-LSDHHAIUSA-N 2 1 320.481 3.416 20 0 DGADMP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000158966732 279230850 /nfs/dbraw/zinc/23/08/50/279230850.db2.gz SLLLVVCYBBGDGP-LSDHHAIUSA-N 2 1 320.481 3.416 20 0 DGADMP C[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414658843 279280627 /nfs/dbraw/zinc/28/06/27/279280627.db2.gz RRJHCTAVUSNQNN-GFCCVEGCSA-N 2 1 300.368 3.493 20 0 DGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467361126 279306220 /nfs/dbraw/zinc/30/62/20/279306220.db2.gz ZCMOHDYGHJPELF-YDZRNGNQSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414660578 279320595 /nfs/dbraw/zinc/32/05/95/279320595.db2.gz OQYRNXGMQWWNFI-LALPHHSUSA-N 2 1 300.368 3.478 20 0 DGADMP c1nc(C[N@@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)cs1 ZINC000110512369 431189526 /nfs/dbraw/zinc/18/95/26/431189526.db2.gz VFNZCMGJMZAYEW-UHFFFAOYSA-N 2 1 324.453 3.404 20 0 DGADMP c1nc(C[N@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)cs1 ZINC000110512369 431189531 /nfs/dbraw/zinc/18/95/31/431189531.db2.gz VFNZCMGJMZAYEW-UHFFFAOYSA-N 2 1 324.453 3.404 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000151374070 279760073 /nfs/dbraw/zinc/76/00/73/279760073.db2.gz BPGNKSLJTWWILZ-KXBFYZLASA-N 2 1 302.462 3.061 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000114475605 431392931 /nfs/dbraw/zinc/39/29/31/431392931.db2.gz ZWIXUHQOPSXWPC-HXUWFJFHSA-N 2 1 318.505 3.034 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC000115628837 431466989 /nfs/dbraw/zinc/46/69/89/431466989.db2.gz MNNYVPFPVNLKGJ-IEBWSBKVSA-N 2 1 304.478 3.222 20 0 DGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(F)c1 ZINC000116396499 431508079 /nfs/dbraw/zinc/50/80/79/431508079.db2.gz XEACPYYOMIJGGJ-XJKSGUPXSA-N 2 1 323.456 3.109 20 0 DGADMP CCCOc1ccc(OCC[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000077249199 431578323 /nfs/dbraw/zinc/57/83/23/431578323.db2.gz VGBOQOCMBAZMTJ-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP CCCOc1ccc(OCC[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000077249199 431578329 /nfs/dbraw/zinc/57/83/29/431578329.db2.gz VGBOQOCMBAZMTJ-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000119122492 431651671 /nfs/dbraw/zinc/65/16/71/431651671.db2.gz WVAZNFJJWQEZRB-NSISKUIASA-N 2 1 316.489 3.401 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000119348904 431680286 /nfs/dbraw/zinc/68/02/86/431680286.db2.gz LZGUWENFPGNXGE-PMACEKPBSA-N 2 1 316.489 3.089 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000119666773 431713468 /nfs/dbraw/zinc/71/34/68/431713468.db2.gz NMFFMWLXDXYQNN-KRWDZBQOSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121236211 431760041 /nfs/dbraw/zinc/76/00/41/431760041.db2.gz ZLVJRQIDYBIDBP-LFGUQSLTSA-N 2 1 315.505 3.142 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CCC2 ZINC000121495034 431795533 /nfs/dbraw/zinc/79/55/33/431795533.db2.gz OUBGGNUUSWAWCW-SMDDNHRTSA-N 2 1 304.463 3.260 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081630001 431796225 /nfs/dbraw/zinc/79/62/25/431796225.db2.gz HEQHNMXVDJYJOH-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081630001 431796234 /nfs/dbraw/zinc/79/62/34/431796234.db2.gz HEQHNMXVDJYJOH-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081630001 431796241 /nfs/dbraw/zinc/79/62/41/431796241.db2.gz HEQHNMXVDJYJOH-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081630001 431796249 /nfs/dbraw/zinc/79/62/49/431796249.db2.gz HEQHNMXVDJYJOH-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000037267050 431845729 /nfs/dbraw/zinc/84/57/29/431845729.db2.gz UJHUBVCHBSKXGG-LLVKDONJSA-N 2 1 302.340 3.330 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000037644065 431848895 /nfs/dbraw/zinc/84/88/95/431848895.db2.gz RLLPYEICVWNTNP-QWHCGFSZSA-N 2 1 311.267 3.442 20 0 DGADMP c1ccc(C[NH+](CCC[NH2+][C@@H]2CCOC2)Cc2ccccc2)cc1 ZINC000088739157 431859605 /nfs/dbraw/zinc/85/96/05/431859605.db2.gz HXSWIKKHDOGQPB-OAQYLSRUSA-N 2 1 324.468 3.457 20 0 DGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000123400489 431864195 /nfs/dbraw/zinc/86/41/95/431864195.db2.gz WEPCENJYJVQKBZ-GOSISDBHSA-N 2 1 311.429 3.038 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427384 431865418 /nfs/dbraw/zinc/86/54/18/431865418.db2.gz DBUSQURYZYVVJU-RTBURBONSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543571 431870400 /nfs/dbraw/zinc/87/04/00/431870400.db2.gz KRQQTRYPCKBOSC-IOASZLSFSA-N 2 1 312.404 3.149 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000092666378 431910892 /nfs/dbraw/zinc/91/08/92/431910892.db2.gz ARLLEQFOTQXQHX-REPIYIIUSA-N 2 1 321.553 3.303 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125127415 431914844 /nfs/dbraw/zinc/91/48/44/431914844.db2.gz LYGOGOSJEFQBIK-UXHICEINSA-N 2 1 316.489 3.194 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125127415 431914847 /nfs/dbraw/zinc/91/48/47/431914847.db2.gz LYGOGOSJEFQBIK-UXHICEINSA-N 2 1 316.489 3.194 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125127415 431914850 /nfs/dbraw/zinc/91/48/50/431914850.db2.gz LYGOGOSJEFQBIK-UXHICEINSA-N 2 1 316.489 3.194 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](c1cccs1)[NH+](C)C ZINC000093513595 431915496 /nfs/dbraw/zinc/91/54/96/431915496.db2.gz JJQLHCVEQCNUES-PMPSAXMXSA-N 2 1 309.523 3.251 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000125162783 431916609 /nfs/dbraw/zinc/91/66/09/431916609.db2.gz HWKJHDMZFULKDZ-VQIMIIECSA-N 2 1 304.478 3.473 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044534476 431875288 /nfs/dbraw/zinc/87/52/88/431875288.db2.gz MWXGXSBEXXYAPE-QWHCGFSZSA-N 2 1 311.267 3.442 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CCC[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000124287037 431888651 /nfs/dbraw/zinc/88/86/51/431888651.db2.gz CLVXBWAEEJVOGI-RHSMWYFYSA-N 2 1 316.493 3.478 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2cccc(Cl)c2)[C@H](C)C1 ZINC000090172862 431890270 /nfs/dbraw/zinc/89/02/70/431890270.db2.gz FDRGHBNTSAZIQM-COXVUDFISA-N 2 1 310.869 3.347 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218755 431890579 /nfs/dbraw/zinc/89/05/79/431890579.db2.gz ZVKOQEROEKBZRY-IMBTUZDBSA-N 2 1 304.478 3.471 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124562263 431898568 /nfs/dbraw/zinc/89/85/68/431898568.db2.gz MBWHYJJPHKWLJU-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124562263 431898570 /nfs/dbraw/zinc/89/85/70/431898570.db2.gz MBWHYJJPHKWLJU-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP C[C@H]([NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000124695624 431901662 /nfs/dbraw/zinc/90/16/62/431901662.db2.gz FMITXSMQPIYGGD-GYFUMUFKSA-N 2 1 316.489 3.158 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733184 431902904 /nfs/dbraw/zinc/90/29/04/431902904.db2.gz YRNJGLNNCHLKJD-HOTGVXAUSA-N 2 1 308.491 3.213 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)cc1 ZINC000091284470 431904238 /nfs/dbraw/zinc/90/42/38/431904238.db2.gz IMKYXPRUKHOCAJ-HNAYVOBHSA-N 2 1 302.462 3.466 20 0 DGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000098143783 431979297 /nfs/dbraw/zinc/97/92/97/431979297.db2.gz GHSIKJMNWVJSJE-ZWKOTPCHSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000125484006 431927484 /nfs/dbraw/zinc/92/74/84/431927484.db2.gz NGKFLMXRDSSZDM-LPHOPBHVSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000125484006 431927485 /nfs/dbraw/zinc/92/74/85/431927485.db2.gz NGKFLMXRDSSZDM-LPHOPBHVSA-N 2 1 313.445 3.434 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2=CCCOC2)C1 ZINC000126509118 431952579 /nfs/dbraw/zinc/95/25/79/431952579.db2.gz URPRCZSYJLWHQH-KRWDZBQOSA-N 2 1 314.473 3.355 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000126510124 431952600 /nfs/dbraw/zinc/95/26/00/431952600.db2.gz SYFFRNDGGDINAV-KRWDZBQOSA-N 2 1 314.473 3.497 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(Br)cs1 ZINC000051919487 431952956 /nfs/dbraw/zinc/95/29/56/431952956.db2.gz LJPCRPLIKFZTMV-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000051756177 431952966 /nfs/dbraw/zinc/95/29/66/431952966.db2.gz FXGLKPLFVDSNHY-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CC3 ZINC000491034424 281035515 /nfs/dbraw/zinc/03/55/15/281035515.db2.gz SJAXWDYIUBYANO-HDMKZQKVSA-N 2 1 311.473 3.263 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CC3 ZINC000491034424 281035517 /nfs/dbraw/zinc/03/55/17/281035517.db2.gz SJAXWDYIUBYANO-HDMKZQKVSA-N 2 1 311.473 3.263 20 0 DGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128235603 431990590 /nfs/dbraw/zinc/99/05/90/431990590.db2.gz ZUOXLBDHYRYYQF-GOSISDBHSA-N 2 1 317.521 3.488 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459743114 281349945 /nfs/dbraw/zinc/34/99/45/281349945.db2.gz WEXFEFGKNHSGQI-IRXDYDNUSA-N 2 1 317.477 3.034 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248172193 432274599 /nfs/dbraw/zinc/27/45/99/432274599.db2.gz UZSRPVVCTQOHJZ-ZWKOTPCHSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000270703570 432279329 /nfs/dbraw/zinc/27/93/29/432279329.db2.gz YFARALKNKLCOQC-OAHLLOKOSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000270703570 432279333 /nfs/dbraw/zinc/27/93/33/432279333.db2.gz YFARALKNKLCOQC-OAHLLOKOSA-N 2 1 319.836 3.388 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000248424015 432289845 /nfs/dbraw/zinc/28/98/45/432289845.db2.gz ZPBNZTCPIZZXHC-MTQWCTHYSA-N 2 1 314.473 3.056 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248428809 432290547 /nfs/dbraw/zinc/29/05/47/432290547.db2.gz AYHJSZFHNKCHAV-DYESRHJHSA-N 2 1 324.468 3.412 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248440451 432292343 /nfs/dbraw/zinc/29/23/43/432292343.db2.gz JNZUDTFBADZSPB-YLJYHZDGSA-N 2 1 316.489 3.478 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248441779 432292365 /nfs/dbraw/zinc/29/23/65/432292365.db2.gz KLFLZRUWBYLGMC-GPMSIDNRSA-N 2 1 316.489 3.168 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248450948 432292886 /nfs/dbraw/zinc/29/28/86/432292886.db2.gz PGCNRZHVRNXMKU-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000248459522 432293653 /nfs/dbraw/zinc/29/36/53/432293653.db2.gz VTUYQNAWBBCKMY-YJBOKZPZSA-N 2 1 314.429 3.087 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000248459522 432293658 /nfs/dbraw/zinc/29/36/58/432293658.db2.gz VTUYQNAWBBCKMY-YJBOKZPZSA-N 2 1 314.429 3.087 20 0 DGADMP CCCC[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000102425470 431994004 /nfs/dbraw/zinc/99/40/04/431994004.db2.gz YDIOYYILTNPGFK-UHFFFAOYSA-N 2 1 300.446 3.317 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248830995 432321754 /nfs/dbraw/zinc/32/17/54/432321754.db2.gz MLNXSAKDOQCLIO-SIZVQLJJSA-N 2 1 302.462 3.225 20 0 DGADMP CC(C)(C)CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027243 432324676 /nfs/dbraw/zinc/32/46/76/432324676.db2.gz MOJVDBYZVJKDJY-SFHVURJKSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)(C)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027243 432324679 /nfs/dbraw/zinc/32/46/79/432324679.db2.gz MOJVDBYZVJKDJY-SFHVURJKSA-N 2 1 304.478 3.303 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152402050 432330030 /nfs/dbraw/zinc/33/00/30/432330030.db2.gz NLEVIJLUXSWGPW-GUYCJALGSA-N 2 1 304.409 3.113 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152402050 432330035 /nfs/dbraw/zinc/33/00/35/432330035.db2.gz NLEVIJLUXSWGPW-GUYCJALGSA-N 2 1 304.409 3.113 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000152389276 432330788 /nfs/dbraw/zinc/33/07/88/432330788.db2.gz UUYUERGZWOGEHZ-HUUCEWRRSA-N 2 1 318.461 3.147 20 0 DGADMP CO[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249057318 432335925 /nfs/dbraw/zinc/33/59/25/432335925.db2.gz ZAHWOGQPEXNPIF-JAQSECSASA-N 2 1 302.462 3.195 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249093229 432337782 /nfs/dbraw/zinc/33/77/82/432337782.db2.gz LCFUYPYFRYUIPA-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000152613576 432344406 /nfs/dbraw/zinc/34/44/06/432344406.db2.gz BTPLVQWMINSYMN-PKOBYXMFSA-N 2 1 308.510 3.458 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000249396072 432346655 /nfs/dbraw/zinc/34/66/55/432346655.db2.gz ZZEMGYROSQOFIV-RWQQGDIJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000249396072 432346660 /nfs/dbraw/zinc/34/66/60/432346660.db2.gz ZZEMGYROSQOFIV-RWQQGDIJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249396069 432347253 /nfs/dbraw/zinc/34/72/53/432347253.db2.gz ZZEMGYROSQOFIV-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249396069 432347257 /nfs/dbraw/zinc/34/72/57/432347257.db2.gz ZZEMGYROSQOFIV-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879392 432304832 /nfs/dbraw/zinc/30/48/32/432304832.db2.gz JYXGJMHNAQTFDG-QGZVFWFLSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879392 432304836 /nfs/dbraw/zinc/30/48/36/432304836.db2.gz JYXGJMHNAQTFDG-QGZVFWFLSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191860640 432307833 /nfs/dbraw/zinc/30/78/33/432307833.db2.gz LWOGLCGZTSAUGU-UYKLPWQDSA-N 2 1 302.462 3.083 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191860628 432308040 /nfs/dbraw/zinc/30/80/40/432308040.db2.gz LWOGLCGZTSAUGU-PTGCCPEKSA-N 2 1 302.462 3.083 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(CCOc2ccc(OCC)cc2)C1 ZINC000174969911 432385236 /nfs/dbraw/zinc/38/52/36/432385236.db2.gz QNYKRDNEIZLAOP-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OCC)cc2)C1 ZINC000174969911 432385239 /nfs/dbraw/zinc/38/52/39/432385239.db2.gz QNYKRDNEIZLAOP-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OCC)cc2)C1 ZINC000174969911 432385243 /nfs/dbraw/zinc/38/52/43/432385243.db2.gz QNYKRDNEIZLAOP-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(OCC)cc2)C1 ZINC000174969911 432385246 /nfs/dbraw/zinc/38/52/46/432385246.db2.gz QNYKRDNEIZLAOP-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(OCC)cc2)C1 ZINC000174969911 432385250 /nfs/dbraw/zinc/38/52/50/432385250.db2.gz QNYKRDNEIZLAOP-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000153158462 432386674 /nfs/dbraw/zinc/38/66/74/432386674.db2.gz BHYZODWWASWAOO-ZBFHGGJFSA-N 2 1 320.477 3.054 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252675298 432386824 /nfs/dbraw/zinc/38/68/24/432386824.db2.gz ZJTXDNLQWFEPLP-QWRGUYRKSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252675298 432386827 /nfs/dbraw/zinc/38/68/27/432386827.db2.gz ZJTXDNLQWFEPLP-QWRGUYRKSA-N 2 1 315.280 3.227 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000192723554 432405605 /nfs/dbraw/zinc/40/56/05/432405605.db2.gz FWLAXFYHOYYHOA-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000261552560 432430662 /nfs/dbraw/zinc/43/06/62/432430662.db2.gz NAOUQNXZGDJUFG-NRFANRHFSA-N 2 1 322.452 3.451 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000261552560 432430665 /nfs/dbraw/zinc/43/06/65/432430665.db2.gz NAOUQNXZGDJUFG-NRFANRHFSA-N 2 1 322.452 3.451 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@@H]12 ZINC000261651678 432438326 /nfs/dbraw/zinc/43/83/26/432438326.db2.gz JVPYSXWOIPWYGE-SGIREYDYSA-N 2 1 301.821 3.057 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000153750526 432439771 /nfs/dbraw/zinc/43/97/71/432439771.db2.gz OAZRUMSAOOOGCE-ZDUSSCGKSA-N 2 1 314.470 3.167 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000153750598 432439810 /nfs/dbraw/zinc/43/98/10/432439810.db2.gz OAZRUMSAOOOGCE-CYBMUJFWSA-N 2 1 314.470 3.167 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193036481 432442246 /nfs/dbraw/zinc/44/22/46/432442246.db2.gz QNYQVISVLPPUNK-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193036481 432442249 /nfs/dbraw/zinc/44/22/49/432442249.db2.gz QNYQVISVLPPUNK-CYBMUJFWSA-N 2 1 305.447 3.225 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000153789438 432443835 /nfs/dbraw/zinc/44/38/35/432443835.db2.gz CHUQCWGMSPZSEZ-QXCFHYIPSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]C1 ZINC000261712741 432445237 /nfs/dbraw/zinc/44/52/37/432445237.db2.gz DTPCXUMRVGTJQT-SCLBCKFNSA-N 2 1 317.408 3.146 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261743383 432446125 /nfs/dbraw/zinc/44/61/25/432446125.db2.gz PKONZJAOGDNJAQ-QGZVFWFLSA-N 2 1 318.852 3.005 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261743383 432446131 /nfs/dbraw/zinc/44/61/31/432446131.db2.gz PKONZJAOGDNJAQ-QGZVFWFLSA-N 2 1 318.852 3.005 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000261797796 432450267 /nfs/dbraw/zinc/45/02/67/432450267.db2.gz GSJXPHCLVSZNPQ-NSHDSACASA-N 2 1 315.230 3.149 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000261813285 432453260 /nfs/dbraw/zinc/45/32/60/432453260.db2.gz XBHQVRAKZYWDOA-AWEZNQCLSA-N 2 1 303.233 3.043 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000153901379 432453534 /nfs/dbraw/zinc/45/35/34/432453534.db2.gz NBAJZPMKKXPCHX-CQSZACIVSA-N 2 1 316.367 3.011 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@H]1c1ccccc1 ZINC000261881732 432457529 /nfs/dbraw/zinc/45/75/29/432457529.db2.gz YNZCZCSAIKBYFA-CVEARBPZSA-N 2 1 323.465 3.471 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)C[C@H]1c1ccccc1 ZINC000261881732 432457532 /nfs/dbraw/zinc/45/75/32/432457532.db2.gz YNZCZCSAIKBYFA-CVEARBPZSA-N 2 1 323.465 3.471 20 0 DGADMP Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)on1 ZINC000192830825 432418620 /nfs/dbraw/zinc/41/86/20/432418620.db2.gz SBCBDSPPYXKUHY-AYHJJNSGSA-N 2 1 311.429 3.268 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccnn1C ZINC000192898829 432426709 /nfs/dbraw/zinc/42/67/09/432426709.db2.gz ZNUOEVSZVIICFQ-ZQIUZPCESA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccnn1C ZINC000192898829 432426712 /nfs/dbraw/zinc/42/67/12/432426712.db2.gz ZNUOEVSZVIICFQ-ZQIUZPCESA-N 2 1 318.490 3.215 20 0 DGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000259042453 432427166 /nfs/dbraw/zinc/42/71/66/432427166.db2.gz PSPSODICGRVVLS-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000262051595 432471428 /nfs/dbraw/zinc/47/14/28/432471428.db2.gz ZPBCTKRINDSJOU-AEFFLSMTSA-N 2 1 324.472 3.409 20 0 DGADMP C[C@@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000262057817 432471532 /nfs/dbraw/zinc/47/15/32/432471532.db2.gz QVWNESSOYMDLIY-BFUOFWGJSA-N 2 1 316.395 3.376 20 0 DGADMP C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000262057817 432471534 /nfs/dbraw/zinc/47/15/34/432471534.db2.gz QVWNESSOYMDLIY-BFUOFWGJSA-N 2 1 316.395 3.376 20 0 DGADMP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262046034 432471988 /nfs/dbraw/zinc/47/19/88/432471988.db2.gz PTQIPEBKKZJRML-IBGZPJMESA-N 2 1 300.446 3.193 20 0 DGADMP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262046034 432471992 /nfs/dbraw/zinc/47/19/92/432471992.db2.gz PTQIPEBKKZJRML-IBGZPJMESA-N 2 1 300.446 3.193 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC000272327983 432483522 /nfs/dbraw/zinc/48/35/22/432483522.db2.gz XIVFQTYDPGJHIC-VQIMIIECSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC000272327983 432483524 /nfs/dbraw/zinc/48/35/24/432483524.db2.gz XIVFQTYDPGJHIC-VQIMIIECSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262563353 432491124 /nfs/dbraw/zinc/49/11/24/432491124.db2.gz WBEFXZXEDSFOKF-BQPHKTIFSA-N 2 1 314.351 3.315 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]21 ZINC000262572430 432491233 /nfs/dbraw/zinc/49/12/33/432491233.db2.gz XPYWZWRAGZSHBJ-NWANDNLSSA-N 2 1 314.351 3.144 20 0 DGADMP C[C@@H]([NH2+]CCCCCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272411282 432497027 /nfs/dbraw/zinc/49/70/27/432497027.db2.gz FQPCVOQEPIROED-IEBWSBKVSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000154435464 432497985 /nfs/dbraw/zinc/49/79/85/432497985.db2.gz GWAUMZYMDAEWPB-MRXNPFEDSA-N 2 1 315.461 3.111 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000154499615 432503337 /nfs/dbraw/zinc/50/33/37/432503337.db2.gz IELCRBOXQWLJCK-MRXNPFEDSA-N 2 1 323.912 3.408 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261921871 432461863 /nfs/dbraw/zinc/46/18/63/432461863.db2.gz KPFTZRIQPNMQFG-SFHVURJKSA-N 2 1 324.472 3.423 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261921871 432461867 /nfs/dbraw/zinc/46/18/67/432461867.db2.gz KPFTZRIQPNMQFG-SFHVURJKSA-N 2 1 324.472 3.423 20 0 DGADMP c1csc(-c2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)no2)c1 ZINC000261961102 432463591 /nfs/dbraw/zinc/46/35/91/432463591.db2.gz OPZAHHGUXDERKZ-HNNXBMFYSA-N 2 1 317.458 3.367 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000261996898 432468391 /nfs/dbraw/zinc/46/83/91/432468391.db2.gz SWLCXOVRZPEQDM-UHFFFAOYSA-N 2 1 312.461 3.266 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000261996898 432468401 /nfs/dbraw/zinc/46/84/01/432468401.db2.gz SWLCXOVRZPEQDM-UHFFFAOYSA-N 2 1 312.461 3.266 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCCC[C@@H]3N)CC2)CC1 ZINC000422963237 281805029 /nfs/dbraw/zinc/80/50/29/281805029.db2.gz FIMXVSWYZXFPIE-BTRQGYIVSA-N 2 1 307.526 3.279 20 0 DGADMP C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734286 432528763 /nfs/dbraw/zinc/52/87/63/432528763.db2.gz ZGUODPDRSMQCGO-IAGOWNOFSA-N 2 1 302.462 3.308 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000156690786 432604973 /nfs/dbraw/zinc/60/49/73/432604973.db2.gz IZOLEEPYMJALQI-ROUUACIJSA-N 2 1 307.526 3.105 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000195135514 432607612 /nfs/dbraw/zinc/60/76/12/432607612.db2.gz QDJZXYDBFROAMX-GBESFXJTSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273565728 432612380 /nfs/dbraw/zinc/61/23/80/432612380.db2.gz XIFYXTHZCMNKID-ROUUACIJSA-N 2 1 317.408 3.183 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273565728 432612386 /nfs/dbraw/zinc/61/23/86/432612386.db2.gz XIFYXTHZCMNKID-ROUUACIJSA-N 2 1 317.408 3.183 20 0 DGADMP c1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](C3CCCC3)CC1)CO2 ZINC000176992251 432573179 /nfs/dbraw/zinc/57/31/79/432573179.db2.gz YGKZKFMKAYMTIT-UHFFFAOYSA-N 2 1 312.457 3.459 20 0 DGADMP c1cc2c(nc[nH+]c2NCc2cccc(C[NH+]3CCCC3)c2)[nH]1 ZINC000263812412 432581267 /nfs/dbraw/zinc/58/12/67/432581267.db2.gz UUGHSNJABIITDH-UHFFFAOYSA-N 2 1 307.401 3.166 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000155936901 432582519 /nfs/dbraw/zinc/58/25/19/432582519.db2.gz XVQIWUNAOZVELX-AWEZNQCLSA-N 2 1 310.401 3.272 20 0 DGADMP COc1ccc(CCC[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000195632423 432631452 /nfs/dbraw/zinc/63/14/52/432631452.db2.gz ZFOBMHHAXWADQJ-UHFFFAOYSA-N 2 1 304.478 3.436 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182639 432639865 /nfs/dbraw/zinc/63/98/65/432639865.db2.gz VNHSXQSFBORTDQ-DOTOQJQBSA-N 2 1 312.461 3.173 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000158256373 432642230 /nfs/dbraw/zinc/64/22/30/432642230.db2.gz WSQPIKHMEOIBMR-HOTGVXAUSA-N 2 1 320.477 3.476 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000274443033 432668860 /nfs/dbraw/zinc/66/88/60/432668860.db2.gz QSQMDICRUZNZDD-ZVZYQTTQSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000274443033 432668861 /nfs/dbraw/zinc/66/88/61/432668861.db2.gz QSQMDICRUZNZDD-ZVZYQTTQSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1F ZINC000274443033 432668865 /nfs/dbraw/zinc/66/88/65/432668865.db2.gz QSQMDICRUZNZDD-ZVZYQTTQSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1F ZINC000274443033 432668868 /nfs/dbraw/zinc/66/88/68/432668868.db2.gz QSQMDICRUZNZDD-ZVZYQTTQSA-N 2 1 320.452 3.039 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CCC3)CC2)oc1C ZINC000178105535 432694640 /nfs/dbraw/zinc/69/46/40/432694640.db2.gz SRDBWPBBZDMUJM-CQSZACIVSA-N 2 1 305.466 3.282 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[nH+]ccc3N)cc2)C1 ZINC000188060077 432702219 /nfs/dbraw/zinc/70/22/19/432702219.db2.gz DZXWWCGEBZZOCG-CQSZACIVSA-N 2 1 324.428 3.148 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000178188316 432704571 /nfs/dbraw/zinc/70/45/71/432704571.db2.gz XOFDSSJGFUSIJA-BODMPHMZSA-N 2 1 323.912 3.261 20 0 DGADMP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274803213 432710146 /nfs/dbraw/zinc/71/01/46/432710146.db2.gz VXEKIVHCSGEXKO-QXAKKESOSA-N 2 1 318.505 3.284 20 0 DGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178256953 432711998 /nfs/dbraw/zinc/71/19/98/432711998.db2.gz PSKMJSXYIWHRCF-LJQANCHMSA-N 2 1 316.514 3.481 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000159253883 432677044 /nfs/dbraw/zinc/67/70/44/432677044.db2.gz USMLKGSBNLFQNY-VQIMIIECSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036105 432686704 /nfs/dbraw/zinc/68/67/04/432686704.db2.gz AISYBMAZGCSSAF-BBWFWOEESA-N 2 1 320.477 3.235 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2nn(CC)c3ccccc23)C1 ZINC000274600300 432687888 /nfs/dbraw/zinc/68/78/88/432687888.db2.gz QXTCDACIUCFDTC-INIZCTEOSA-N 2 1 314.477 3.220 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCS2 ZINC000276158494 432777038 /nfs/dbraw/zinc/77/70/38/432777038.db2.gz QIMBOPDZCLFLPS-INIZCTEOSA-N 2 1 304.459 3.084 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000237201617 432780906 /nfs/dbraw/zinc/78/09/06/432780906.db2.gz KONOBYFPYZSUCD-AEFFLSMTSA-N 2 1 304.478 3.336 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@H]1CCC[NH2+]CC1 ZINC000231668713 432732892 /nfs/dbraw/zinc/73/28/92/432732892.db2.gz YVXLYCAZGCUVNR-AWEZNQCLSA-N 2 1 303.837 3.462 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2)CC[N@H+]1C ZINC000178424492 432733247 /nfs/dbraw/zinc/73/32/47/432733247.db2.gz GCGAYMBYCBAING-SWLSCSKDSA-N 2 1 311.267 3.064 20 0 DGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231458235 432733433 /nfs/dbraw/zinc/73/34/33/432733433.db2.gz KUEJZYFEASSMKM-CQSZACIVSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231458235 432733436 /nfs/dbraw/zinc/73/34/36/432733436.db2.gz KUEJZYFEASSMKM-CQSZACIVSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231458267 432733487 /nfs/dbraw/zinc/73/34/87/432733487.db2.gz KUEJZYFEASSMKM-AWEZNQCLSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231458267 432733489 /nfs/dbraw/zinc/73/34/89/432733489.db2.gz KUEJZYFEASSMKM-AWEZNQCLSA-N 2 1 304.331 3.418 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000275626680 432736699 /nfs/dbraw/zinc/73/66/99/432736699.db2.gz IPYUQOUTOOLCNS-HXUWFJFHSA-N 2 1 316.489 3.446 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275680910 432739829 /nfs/dbraw/zinc/73/98/29/432739829.db2.gz IENSMRLOAFLEND-WMZOPIPTSA-N 2 1 304.478 3.444 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275680910 432739831 /nfs/dbraw/zinc/73/98/31/432739831.db2.gz IENSMRLOAFLEND-WMZOPIPTSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000275744555 432745494 /nfs/dbraw/zinc/74/54/94/432745494.db2.gz QXZDMRLVNBCRGA-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000276573240 432819570 /nfs/dbraw/zinc/81/95/70/432819570.db2.gz BOMRWQIQTFLINT-GFCCVEGCSA-N 2 1 322.250 3.175 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000162869661 432837056 /nfs/dbraw/zinc/83/70/56/432837056.db2.gz PKFLZQUXPFWFSL-OGWHTMIXSA-N 2 1 308.510 3.434 20 0 DGADMP O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161543195 432785043 /nfs/dbraw/zinc/78/50/43/432785043.db2.gz MVGOYUNVYQBRLE-IAGOWNOFSA-N 2 1 306.450 3.044 20 0 DGADMP O[C@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161543195 432785048 /nfs/dbraw/zinc/78/50/48/432785048.db2.gz MVGOYUNVYQBRLE-IAGOWNOFSA-N 2 1 306.450 3.044 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000161592839 432788116 /nfs/dbraw/zinc/78/81/16/432788116.db2.gz WAYQUDFCTCDDQX-SFHVURJKSA-N 2 1 318.461 3.373 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000178977746 432792903 /nfs/dbraw/zinc/79/29/03/432792903.db2.gz HBADDZMAKOQMKK-OAHLLOKOSA-N 2 1 301.459 3.433 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)CC1CCOCC1 ZINC000161782418 432798405 /nfs/dbraw/zinc/79/84/05/432798405.db2.gz ZVQMWFIAHNAMRL-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000161782418 432798410 /nfs/dbraw/zinc/79/84/10/432798410.db2.gz ZVQMWFIAHNAMRL-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000161782418 432798414 /nfs/dbraw/zinc/79/84/14/432798414.db2.gz ZVQMWFIAHNAMRL-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1oc2ccccc2c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277648375 432867147 /nfs/dbraw/zinc/86/71/47/432867147.db2.gz DMPRKSANZLTENO-OAHLLOKOSA-N 2 1 316.445 3.332 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685470 432869475 /nfs/dbraw/zinc/86/94/75/432869475.db2.gz KWLJOOGWSJABOB-IUODEOHRSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685470 432869478 /nfs/dbraw/zinc/86/94/78/432869478.db2.gz KWLJOOGWSJABOB-IUODEOHRSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685470 432869479 /nfs/dbraw/zinc/86/94/79/432869479.db2.gz KWLJOOGWSJABOB-IUODEOHRSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685470 432869482 /nfs/dbraw/zinc/86/94/82/432869482.db2.gz KWLJOOGWSJABOB-IUODEOHRSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@H]21 ZINC000277685470 432869483 /nfs/dbraw/zinc/86/94/83/432869483.db2.gz KWLJOOGWSJABOB-IUODEOHRSA-N 2 1 313.367 3.017 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245985870 432874235 /nfs/dbraw/zinc/87/42/35/432874235.db2.gz QCHSGJSMSBCSGH-IAGOWNOFSA-N 2 1 306.498 3.152 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245985870 432874236 /nfs/dbraw/zinc/87/42/36/432874236.db2.gz QCHSGJSMSBCSGH-IAGOWNOFSA-N 2 1 306.498 3.152 20 0 DGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)nc1 ZINC000296310805 432894841 /nfs/dbraw/zinc/89/48/41/432894841.db2.gz GHOBETRPVZTEQP-HLVVYCRESA-N 2 1 324.266 3.120 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)nc1 ZINC000296310805 432894842 /nfs/dbraw/zinc/89/48/42/432894842.db2.gz GHOBETRPVZTEQP-HLVVYCRESA-N 2 1 324.266 3.120 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000245551438 432842704 /nfs/dbraw/zinc/84/27/04/432842704.db2.gz ISMOSTQXCAQXJT-FCGDIQPGSA-N 2 1 320.521 3.436 20 0 DGADMP Cc1nccn1CCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000163154911 432844578 /nfs/dbraw/zinc/84/45/78/432844578.db2.gz DNUFCSDZADYWPB-IBGZPJMESA-N 2 1 313.445 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000163154911 432844580 /nfs/dbraw/zinc/84/45/80/432844580.db2.gz DNUFCSDZADYWPB-IBGZPJMESA-N 2 1 313.445 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000163154911 432844583 /nfs/dbraw/zinc/84/45/83/432844583.db2.gz DNUFCSDZADYWPB-IBGZPJMESA-N 2 1 313.445 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000163230047 432847040 /nfs/dbraw/zinc/84/70/40/432847040.db2.gz HVCSGEKYMKHHAP-HOTGVXAUSA-N 2 1 319.474 3.231 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000163230047 432847043 /nfs/dbraw/zinc/84/70/43/432847043.db2.gz HVCSGEKYMKHHAP-HOTGVXAUSA-N 2 1 319.474 3.231 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263176 432847871 /nfs/dbraw/zinc/84/78/71/432847871.db2.gz AQUYEKSNSKVHNO-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000163263176 432847874 /nfs/dbraw/zinc/84/78/74/432847874.db2.gz AQUYEKSNSKVHNO-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000245621927 432850244 /nfs/dbraw/zinc/85/02/44/432850244.db2.gz PMVQCBKXSWDGDV-YSHGAJCASA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000245621927 432850247 /nfs/dbraw/zinc/85/02/47/432850247.db2.gz PMVQCBKXSWDGDV-YSHGAJCASA-N 2 1 316.489 3.443 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCc2cccnc2)C3)cc1 ZINC000245645127 432852745 /nfs/dbraw/zinc/85/27/45/432852745.db2.gz BIYGQTBXPLBHMZ-MZADTFQBSA-N 2 1 321.468 3.409 20 0 DGADMP CCOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245665520 432854117 /nfs/dbraw/zinc/85/41/17/432854117.db2.gz GNBBORSNQJUUBF-REPLKXPHSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1cc(NC(=O)[C@@H]2CCCN2C)ccc1Oc1ccncc1 ZINC000279123975 432937218 /nfs/dbraw/zinc/93/72/18/432937218.db2.gz XPCLJHXBSPDCGU-INIZCTEOSA-N 2 1 311.385 3.215 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296464412 432910969 /nfs/dbraw/zinc/91/09/69/432910969.db2.gz NLLMOSOFYJFABV-NUJGCVRESA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296464412 432910971 /nfs/dbraw/zinc/91/09/71/432910971.db2.gz NLLMOSOFYJFABV-NUJGCVRESA-N 2 1 304.478 3.036 20 0 DGADMP CSC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000289040384 432916094 /nfs/dbraw/zinc/91/60/94/432916094.db2.gz AQKGPLJUXVKVCF-UHFFFAOYSA-N 2 1 305.422 3.305 20 0 DGADMP Cc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000349496675 432968142 /nfs/dbraw/zinc/96/81/42/432968142.db2.gz LHXNOIMJRAZXEP-BEFAXECRSA-N 2 1 319.493 3.045 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000341147782 432975636 /nfs/dbraw/zinc/97/56/36/432975636.db2.gz SYPHTEOODKSOCF-UHFFFAOYSA-N 2 1 314.364 3.199 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(Cl)c1 ZINC000297315516 432991928 /nfs/dbraw/zinc/99/19/28/432991928.db2.gz BZGLBVDSAKJOMV-ZDUSSCGKSA-N 2 1 308.853 3.324 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000297617841 433000767 /nfs/dbraw/zinc/00/07/67/433000767.db2.gz LELWJOOIAPYQAP-MSOLQXFVSA-N 2 1 322.399 3.011 20 0 DGADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000349969453 433045168 /nfs/dbraw/zinc/04/51/68/433045168.db2.gz IGNXKONSUZCSIH-INIZCTEOSA-N 2 1 319.493 3.127 20 0 DGADMP CC[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)OC ZINC000290166728 433006153 /nfs/dbraw/zinc/00/61/53/433006153.db2.gz MHLCUPVYSUROGM-ACBHZAAOSA-N 2 1 304.478 3.444 20 0 DGADMP CCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000349816101 433013298 /nfs/dbraw/zinc/01/32/98/433013298.db2.gz JOKRTVZRXBQROV-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000349816101 433013301 /nfs/dbraw/zinc/01/33/01/433013301.db2.gz JOKRTVZRXBQROV-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000341277114 433014575 /nfs/dbraw/zinc/01/45/75/433014575.db2.gz FBMBUFBGCHEMFB-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP COCCOc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000349819829 433016029 /nfs/dbraw/zinc/01/60/29/433016029.db2.gz REJSHVOKGZDDGS-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP COCCOc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000349819829 433016034 /nfs/dbraw/zinc/01/60/34/433016034.db2.gz REJSHVOKGZDDGS-UHFFFAOYSA-N 2 1 320.477 3.016 20 0 DGADMP CCOc1cc(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(Cl)c1O ZINC000297777942 433016594 /nfs/dbraw/zinc/01/65/94/433016594.db2.gz VZMNIECZMLTAII-NHYWBVRUSA-N 2 1 324.852 3.017 20 0 DGADMP CCOc1cc(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(Cl)c1O ZINC000297777942 433016600 /nfs/dbraw/zinc/01/66/00/433016600.db2.gz VZMNIECZMLTAII-NHYWBVRUSA-N 2 1 324.852 3.017 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290267624 433023386 /nfs/dbraw/zinc/02/33/86/433023386.db2.gz VWLTZQSDYWFXJC-IAGOWNOFSA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290267624 433023388 /nfs/dbraw/zinc/02/33/88/433023388.db2.gz VWLTZQSDYWFXJC-IAGOWNOFSA-N 2 1 321.509 3.006 20 0 DGADMP CCc1nc(NCc2ccc(C[NH+](CC)CC)cc2)cc(C)[nH+]1 ZINC000341352105 433035467 /nfs/dbraw/zinc/03/54/67/433035467.db2.gz OKZVZOWFEBTGQZ-UHFFFAOYSA-N 2 1 312.461 3.801 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456439 433057601 /nfs/dbraw/zinc/05/76/01/433057601.db2.gz MTDYGILGTJIAPW-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456439 433057608 /nfs/dbraw/zinc/05/76/08/433057608.db2.gz MTDYGILGTJIAPW-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456439 433057618 /nfs/dbraw/zinc/05/76/18/433057618.db2.gz MTDYGILGTJIAPW-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456439 433057624 /nfs/dbraw/zinc/05/76/24/433057624.db2.gz MTDYGILGTJIAPW-UKRRQHHQSA-N 2 1 317.458 3.319 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290452323 433054030 /nfs/dbraw/zinc/05/40/30/433054030.db2.gz MIVHYANJWMIGFZ-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000459358340 289287650 /nfs/dbraw/zinc/28/76/50/289287650.db2.gz CQVACHBIMBEVKI-SFHVURJKSA-N 2 1 321.896 3.159 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000339074990 289364820 /nfs/dbraw/zinc/36/48/20/289364820.db2.gz OKNYRSHSVUNIAY-RVKKMQEKSA-N 2 1 321.896 3.159 20 0 DGADMP CCCOCc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298287016 433080811 /nfs/dbraw/zinc/08/08/11/433080811.db2.gz HCBMEXOXAOYZKY-UHFFFAOYSA-N 2 1 302.462 3.330 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546837 433091587 /nfs/dbraw/zinc/09/15/87/433091587.db2.gz RNNNRDRCGFWWBC-PQPFEFOTSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546837 433091595 /nfs/dbraw/zinc/09/15/95/433091595.db2.gz RNNNRDRCGFWWBC-PQPFEFOTSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546837 433091603 /nfs/dbraw/zinc/09/16/03/433091603.db2.gz RNNNRDRCGFWWBC-PQPFEFOTSA-N 2 1 306.400 3.394 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000446748501 433100300 /nfs/dbraw/zinc/10/03/00/433100300.db2.gz PUEYCRIAQZAXDT-AQNXPRMDSA-N 2 1 316.489 3.444 20 0 DGADMP c1ccc(CCCO[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420310576 433154546 /nfs/dbraw/zinc/15/45/46/433154546.db2.gz VECFIPMKQZWMMU-WOJBJXKFSA-N 2 1 316.489 3.100 20 0 DGADMP Cn1c(N[C@H](CCC[NH3+])c2ccccc2)[nH+]c2cccc(F)c21 ZINC000420278231 433145803 /nfs/dbraw/zinc/14/58/03/433145803.db2.gz NWWQXYAXOJMPLS-OAHLLOKOSA-N 2 1 312.392 3.026 20 0 DGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000420299622 433147377 /nfs/dbraw/zinc/14/73/77/433147377.db2.gz JCLUTQCCQPDHIL-CQSZACIVSA-N 2 1 318.440 3.208 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1O ZINC000290720136 433148685 /nfs/dbraw/zinc/14/86/85/433148685.db2.gz OMUGMYZBOSQREN-AWEZNQCLSA-N 2 1 306.450 3.173 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000420299620 433149844 /nfs/dbraw/zinc/14/98/44/433149844.db2.gz JCLUTQCCQPDHIL-AWEZNQCLSA-N 2 1 318.440 3.208 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000290737852 433150962 /nfs/dbraw/zinc/15/09/62/433150962.db2.gz PVSIFJWVQYDIKA-XJKSGUPXSA-N 2 1 319.836 3.076 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cc1 ZINC000420305857 433151743 /nfs/dbraw/zinc/15/17/43/433151743.db2.gz QCKNRDGEOVIUKF-WOJBJXKFSA-N 2 1 324.468 3.227 20 0 DGADMP c1ccc(CCCO[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420310569 433153479 /nfs/dbraw/zinc/15/34/79/433153479.db2.gz VECFIPMKQZWMMU-PMACEKPBSA-N 2 1 316.489 3.100 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000290583789 433104453 /nfs/dbraw/zinc/10/44/53/433104453.db2.gz UTEQYXSATBBWHB-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000290583789 433104467 /nfs/dbraw/zinc/10/44/67/433104467.db2.gz UTEQYXSATBBWHB-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000290583789 433104480 /nfs/dbraw/zinc/10/44/80/433104480.db2.gz UTEQYXSATBBWHB-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000290583789 433104491 /nfs/dbraw/zinc/10/44/91/433104491.db2.gz UTEQYXSATBBWHB-WBVHZDCISA-N 2 1 306.425 3.141 20 0 DGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Nc1ccccc1 ZINC000298360003 433107935 /nfs/dbraw/zinc/10/79/35/433107935.db2.gz KDGRRPASZDZNRI-LJQANCHMSA-N 2 1 301.478 3.340 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354486775 433110353 /nfs/dbraw/zinc/11/03/53/433110353.db2.gz BKHNUVUGIIJUCV-SJORKVTESA-N 2 1 312.461 3.143 20 0 DGADMP CSC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000290921053 433208588 /nfs/dbraw/zinc/20/85/88/433208588.db2.gz QNGOJXZEOORAQB-GOSISDBHSA-N 2 1 318.530 3.426 20 0 DGADMP Cc1nc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)sc1C ZINC000420315683 433157792 /nfs/dbraw/zinc/15/77/92/433157792.db2.gz LCSXJUPLIPSKEO-CVEARBPZSA-N 2 1 307.507 3.329 20 0 DGADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420314922 433159031 /nfs/dbraw/zinc/15/90/31/433159031.db2.gz KNRNSDRMQCFOCQ-MAUKXSAKSA-N 2 1 312.461 3.193 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000354573651 433160378 /nfs/dbraw/zinc/16/03/78/433160378.db2.gz NCPCLBPXTVPWOA-LJQANCHMSA-N 2 1 303.494 3.280 20 0 DGADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420312420 433161221 /nfs/dbraw/zinc/16/12/21/433161221.db2.gz WYFDJCZNEWOVTL-GOEBONIOSA-N 2 1 310.507 3.201 20 0 DGADMP CC[C@@](C)([NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1)c1nccs1 ZINC000420322135 433164837 /nfs/dbraw/zinc/16/48/37/433164837.db2.gz SGDYMZSPYNVXRE-WMLDXEAASA-N 2 1 319.474 3.109 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000420327861 433166506 /nfs/dbraw/zinc/16/65/06/433166506.db2.gz YZUWYRNFLDTZNR-RTBURBONSA-N 2 1 310.441 3.227 20 0 DGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329223 433166603 /nfs/dbraw/zinc/16/66/03/433166603.db2.gz OCBQTQBQTGFISV-RDJZCZTQSA-N 2 1 322.880 3.478 20 0 DGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420327273 433167067 /nfs/dbraw/zinc/16/70/67/433167067.db2.gz YJUZHPJHJKNYCK-CMKODMSKSA-N 2 1 315.505 3.143 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000420336088 433169618 /nfs/dbraw/zinc/16/96/18/433169618.db2.gz VKAGHKMZANLRMD-SJORKVTESA-N 2 1 311.429 3.163 20 0 DGADMP Clc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332218 433169844 /nfs/dbraw/zinc/16/98/44/433169844.db2.gz CVXOTXDRQLNOQJ-GJZGRUSLSA-N 2 1 308.853 3.040 20 0 DGADMP C[C@H]([NH2+]CCCC1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361425901 433171404 /nfs/dbraw/zinc/17/14/04/433171404.db2.gz KBJLMPCRSZDIME-WMZOPIPTSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420337826 433171706 /nfs/dbraw/zinc/17/17/06/433171706.db2.gz XGLAPTSNSCJECC-KGLIPLIRSA-N 2 1 308.853 3.170 20 0 DGADMP CC(C)n1cncc1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000425334909 433172921 /nfs/dbraw/zinc/17/29/21/433172921.db2.gz HSCHHFYFDSNCSC-QGZVFWFLSA-N 2 1 312.461 3.170 20 0 DGADMP CC(C)n1cncc1CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000425334909 433172931 /nfs/dbraw/zinc/17/29/31/433172931.db2.gz HSCHHFYFDSNCSC-QGZVFWFLSA-N 2 1 312.461 3.170 20 0 DGADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cnc(N(C)C)n2C)o1 ZINC000425336238 433174955 /nfs/dbraw/zinc/17/49/55/433174955.db2.gz LAEORSGALYMKTL-BBRMVZONSA-N 2 1 316.449 3.361 20 0 DGADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cnc(N(C)C)n2C)o1 ZINC000425336238 433174965 /nfs/dbraw/zinc/17/49/65/433174965.db2.gz LAEORSGALYMKTL-BBRMVZONSA-N 2 1 316.449 3.361 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656134 433175320 /nfs/dbraw/zinc/17/53/20/433175320.db2.gz KTSVZZPNCQEWDI-OJAHFUOMSA-N 2 1 316.489 3.038 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000420360854 433177783 /nfs/dbraw/zinc/17/77/83/433177783.db2.gz HNUQTDPBXDGEHO-INIZCTEOSA-N 2 1 314.832 3.355 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000420360621 433178800 /nfs/dbraw/zinc/17/88/00/433178800.db2.gz GMFHDGRFLGHCJE-FQEVSTJZSA-N 2 1 324.472 3.065 20 0 DGADMP CCC(=O)CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706228 433179475 /nfs/dbraw/zinc/17/94/75/433179475.db2.gz IHSHOEBVACEPHL-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706228 433179480 /nfs/dbraw/zinc/17/94/80/433179480.db2.gz IHSHOEBVACEPHL-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706228 433179487 /nfs/dbraw/zinc/17/94/87/433179487.db2.gz IHSHOEBVACEPHL-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CCC(=O)CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336706228 433179492 /nfs/dbraw/zinc/17/94/92/433179492.db2.gz IHSHOEBVACEPHL-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP COc1ccc(C[N@H+](C[C@H](C)[NH3+])C2CCCCC2)cc1OC ZINC000420370577 433179625 /nfs/dbraw/zinc/17/96/25/433179625.db2.gz JPYMTPVCFKCGDO-AWEZNQCLSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H](C)[NH3+])C2CCCCC2)cc1OC ZINC000420370577 433179634 /nfs/dbraw/zinc/17/96/34/433179634.db2.gz JPYMTPVCFKCGDO-AWEZNQCLSA-N 2 1 306.450 3.186 20 0 DGADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336722320 433183620 /nfs/dbraw/zinc/18/36/20/433183620.db2.gz VSAPBQMCLYYALR-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336722320 433183628 /nfs/dbraw/zinc/18/36/28/433183628.db2.gz VSAPBQMCLYYALR-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336722320 433183636 /nfs/dbraw/zinc/18/36/36/433183636.db2.gz VSAPBQMCLYYALR-VQTJNVASSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)OC ZINC000420380368 433188388 /nfs/dbraw/zinc/18/83/88/433188388.db2.gz WGRQONYXNAYRNU-SJLPKXTDSA-N 2 1 318.461 3.002 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@H]1C[NH3+] ZINC000420396015 433195371 /nfs/dbraw/zinc/19/53/71/433195371.db2.gz DXOBYJSDBDCEIO-NVXWUHKLSA-N 2 1 311.429 3.291 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336874946 433198123 /nfs/dbraw/zinc/19/81/23/433198123.db2.gz ZHZXSJFUJAZXGN-CRAIPNDOSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336874946 433198133 /nfs/dbraw/zinc/19/81/33/433198133.db2.gz ZHZXSJFUJAZXGN-CRAIPNDOSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336874946 433198139 /nfs/dbraw/zinc/19/81/39/433198139.db2.gz ZHZXSJFUJAZXGN-CRAIPNDOSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336874946 433198147 /nfs/dbraw/zinc/19/81/47/433198147.db2.gz ZHZXSJFUJAZXGN-CRAIPNDOSA-N 2 1 319.493 3.420 20 0 DGADMP CCn1nc(C[NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453590108 433218874 /nfs/dbraw/zinc/21/88/74/433218874.db2.gz AOECEUNKTZYIBT-UHFFFAOYSA-N 2 1 300.450 3.020 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479679 433262819 /nfs/dbraw/zinc/26/28/19/433262819.db2.gz QHAYHKXVAWVXRO-DLBZAZTESA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479679 433262827 /nfs/dbraw/zinc/26/28/27/433262827.db2.gz QHAYHKXVAWVXRO-DLBZAZTESA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479679 433262835 /nfs/dbraw/zinc/26/28/35/433262835.db2.gz QHAYHKXVAWVXRO-DLBZAZTESA-N 2 1 324.509 3.447 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000281131438 433263613 /nfs/dbraw/zinc/26/36/13/433263613.db2.gz YJOLAHPOPUDBRE-ACBHZAAOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374771218 433276500 /nfs/dbraw/zinc/27/65/00/433276500.db2.gz KQVDEIBGMOATTI-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000350836561 433298257 /nfs/dbraw/zinc/29/82/57/433298257.db2.gz WPDAGOGNCHQHRT-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000350836561 433298267 /nfs/dbraw/zinc/29/82/67/433298267.db2.gz WPDAGOGNCHQHRT-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420897159 433298625 /nfs/dbraw/zinc/29/86/25/433298625.db2.gz APBAYWUDFNKNMG-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420930832 433325804 /nfs/dbraw/zinc/32/58/04/433325804.db2.gz SMEGCAQOVUUZJE-GDBMZVCRSA-N 2 1 321.465 3.024 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420930832 433325806 /nfs/dbraw/zinc/32/58/06/433325806.db2.gz SMEGCAQOVUUZJE-GDBMZVCRSA-N 2 1 321.465 3.024 20 0 DGADMP CC[C@H](CSC)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420931124 433325953 /nfs/dbraw/zinc/32/59/53/433325953.db2.gz FXPWTQBNRDKECB-GOSISDBHSA-N 2 1 322.518 3.092 20 0 DGADMP CC[C@H](CSC)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420931124 433325961 /nfs/dbraw/zinc/32/59/61/433325961.db2.gz FXPWTQBNRDKECB-GOSISDBHSA-N 2 1 322.518 3.092 20 0 DGADMP CCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420908363 433309564 /nfs/dbraw/zinc/30/95/64/433309564.db2.gz WVUKFXLSMDSNML-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000281681075 433346599 /nfs/dbraw/zinc/34/65/99/433346599.db2.gz RKZHISJLRBOJNI-ZDUSSCGKSA-N 2 1 312.379 3.488 20 0 DGADMP C[N@H+](CC1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425937139 433378006 /nfs/dbraw/zinc/37/80/06/433378006.db2.gz LEKILONJZCNSFB-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+](CC1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425937139 433378019 /nfs/dbraw/zinc/37/80/19/433378019.db2.gz LEKILONJZCNSFB-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CC1CCCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425937139 433378031 /nfs/dbraw/zinc/37/80/31/433378031.db2.gz LEKILONJZCNSFB-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP C[NH+](CC1CCCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425937139 433378040 /nfs/dbraw/zinc/37/80/40/433378040.db2.gz LEKILONJZCNSFB-HXUWFJFHSA-N 2 1 316.489 3.136 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000281741747 433367008 /nfs/dbraw/zinc/36/70/08/433367008.db2.gz VMXSWBNLNKYXAG-KURKYZTESA-N 2 1 324.472 3.465 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000425930009 433378110 /nfs/dbraw/zinc/37/81/10/433378110.db2.gz WBXQUEXOZGEVPB-RYRKJORJSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C2 ZINC000425930009 433378125 /nfs/dbraw/zinc/37/81/25/433378125.db2.gz WBXQUEXOZGEVPB-RYRKJORJSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000361743497 433368561 /nfs/dbraw/zinc/36/85/61/433368561.db2.gz HJZYXJFUVWAQNK-UMGGQSCQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000361743497 433368573 /nfs/dbraw/zinc/36/85/73/433368573.db2.gz HJZYXJFUVWAQNK-UMGGQSCQSA-N 2 1 316.489 3.038 20 0 DGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066594 433333619 /nfs/dbraw/zinc/33/36/19/433333619.db2.gz GIDNGHCDCLRZEP-SOLBZPMBSA-N 2 1 302.487 3.233 20 0 DGADMP Cc1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000354878872 433336148 /nfs/dbraw/zinc/33/61/48/433336148.db2.gz PVFUABIUHIGJEQ-UHFFFAOYSA-N 2 1 310.445 3.133 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000291759785 433336822 /nfs/dbraw/zinc/33/68/22/433336822.db2.gz RIFSNENZKLKPGV-ZJUUUORDSA-N 2 1 305.285 3.359 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339067354 433336925 /nfs/dbraw/zinc/33/69/25/433336925.db2.gz GRIGWXMULUVHER-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339067354 433336939 /nfs/dbraw/zinc/33/69/39/433336939.db2.gz GRIGWXMULUVHER-SJORKVTESA-N 2 1 318.461 3.200 20 0 DGADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000341891171 433338490 /nfs/dbraw/zinc/33/84/90/433338490.db2.gz HNBIAFQBPWFYNM-QZTJIDSGSA-N 2 1 317.521 3.348 20 0 DGADMP C[C@H]1CCc2nc(C[N@@H+]3CCCC34CC[NH+](C)CC4)sc2C1 ZINC000355033958 433426886 /nfs/dbraw/zinc/42/68/86/433426886.db2.gz DIVVZZHWTCIRAW-AWEZNQCLSA-N 2 1 319.518 3.328 20 0 DGADMP C[C@H]1CCc2nc(C[N@H+]3CCCC34CC[NH+](C)CC4)sc2C1 ZINC000355033958 433426896 /nfs/dbraw/zinc/42/68/96/433426896.db2.gz DIVVZZHWTCIRAW-AWEZNQCLSA-N 2 1 319.518 3.328 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cnn(C(C)C)c32)[C@H](C)C1 ZINC000375182471 433382612 /nfs/dbraw/zinc/38/26/12/433382612.db2.gz KJNLAVIMUUEJMG-PVAVHDDUSA-N 2 1 304.482 3.161 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cnn(C(C)C)c32)[C@H](C)C1 ZINC000375182471 433382616 /nfs/dbraw/zinc/38/26/16/433382616.db2.gz KJNLAVIMUUEJMG-PVAVHDDUSA-N 2 1 304.482 3.161 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cnn(C(C)C)c32)[C@H](C)C1 ZINC000375182464 433383608 /nfs/dbraw/zinc/38/36/08/433383608.db2.gz KJNLAVIMUUEJMG-HYVNUMGLSA-N 2 1 304.482 3.161 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cnn(C(C)C)c32)[C@H](C)C1 ZINC000375182464 433383616 /nfs/dbraw/zinc/38/36/16/433383616.db2.gz KJNLAVIMUUEJMG-HYVNUMGLSA-N 2 1 304.482 3.161 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414083877 433384405 /nfs/dbraw/zinc/38/44/05/433384405.db2.gz XFRCRYYFDUOPEJ-CVEARBPZSA-N 2 1 304.482 3.135 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281799499 433385366 /nfs/dbraw/zinc/38/53/66/433385366.db2.gz YHZKNGARSWGESX-QGZVFWFLSA-N 2 1 302.397 3.247 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1C[C@H]1C ZINC000414098189 433393358 /nfs/dbraw/zinc/39/33/58/433393358.db2.gz ISWSPUFBDGJVHO-DQYPLSBCSA-N 2 1 302.466 3.086 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414134235 433417097 /nfs/dbraw/zinc/41/70/97/433417097.db2.gz NRVCLGYSBPEUCA-JQHSSLGASA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414134235 433417105 /nfs/dbraw/zinc/41/71/05/433417105.db2.gz NRVCLGYSBPEUCA-JQHSSLGASA-N 2 1 322.880 3.022 20 0 DGADMP Cc1cccc([C@@H](C)[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000355030241 433420639 /nfs/dbraw/zinc/42/06/39/433420639.db2.gz KTXOXJYZQLCHMJ-QZTJIDSGSA-N 2 1 315.505 3.156 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000414183924 433444418 /nfs/dbraw/zinc/44/44/18/433444418.db2.gz OBERXYXAMMGFOP-HBFSDRIKSA-N 2 1 316.489 3.476 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000414183926 433445216 /nfs/dbraw/zinc/44/52/16/433445216.db2.gz OBERXYXAMMGFOP-QWFCFKBJSA-N 2 1 316.489 3.476 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000339222385 433450669 /nfs/dbraw/zinc/45/06/69/433450669.db2.gz ZDFONBZEQVDIHE-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000414193469 433452559 /nfs/dbraw/zinc/45/25/59/433452559.db2.gz UAGZAJQUYYBFQS-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000414200645 433457565 /nfs/dbraw/zinc/45/75/65/433457565.db2.gz XNEVMVACWJPJBS-GOEBONIOSA-N 2 1 306.498 3.329 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342082413 433459506 /nfs/dbraw/zinc/45/95/06/433459506.db2.gz IYZAHEAXSMXTFM-IWCQGFGOSA-N 2 1 311.429 3.462 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342089882 433460575 /nfs/dbraw/zinc/46/05/75/433460575.db2.gz BQEZLAKZKMCGFJ-YESZJQIVSA-N 2 1 311.429 3.209 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414211357 433464208 /nfs/dbraw/zinc/46/42/08/433464208.db2.gz VJTIZCCVTPWLFK-JENIJYKNSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccccc1)CC[NH2+]CC2 ZINC000424369882 290363700 /nfs/dbraw/zinc/36/37/00/290363700.db2.gz BTRCGAFSCHBHTC-HNNXBMFYSA-N 2 1 310.445 3.041 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000072974939 290390447 /nfs/dbraw/zinc/39/04/47/290390447.db2.gz FTZKAROEUKMDKA-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000072974939 290390451 /nfs/dbraw/zinc/39/04/51/290390451.db2.gz FTZKAROEUKMDKA-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000072974939 290390454 /nfs/dbraw/zinc/39/04/54/290390454.db2.gz FTZKAROEUKMDKA-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000072974939 290390459 /nfs/dbraw/zinc/39/04/59/290390459.db2.gz FTZKAROEUKMDKA-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP Cc1ccc(Br)c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414246284 433484451 /nfs/dbraw/zinc/48/44/51/433484451.db2.gz BIMQIOJBUBRSCW-CABCVRRESA-N 2 1 323.278 3.474 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443293 433511183 /nfs/dbraw/zinc/51/11/83/433511183.db2.gz MPEUMZVZMAYENY-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443293 433511190 /nfs/dbraw/zinc/51/11/90/433511190.db2.gz MPEUMZVZMAYENY-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443293 433511204 /nfs/dbraw/zinc/51/12/04/433511204.db2.gz MPEUMZVZMAYENY-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443293 433511209 /nfs/dbraw/zinc/51/12/09/433511209.db2.gz MPEUMZVZMAYENY-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000351443293 433511219 /nfs/dbraw/zinc/51/12/19/433511219.db2.gz MPEUMZVZMAYENY-LPHOPBHVSA-N 2 1 304.478 3.305 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)O1 ZINC000414285490 433512591 /nfs/dbraw/zinc/51/25/91/433512591.db2.gz RSSYGINOYMAIOH-YQXATGRUSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)O1 ZINC000414285490 433512600 /nfs/dbraw/zinc/51/26/00/433512600.db2.gz RSSYGINOYMAIOH-YQXATGRUSA-N 2 1 316.489 3.443 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000292226151 433513198 /nfs/dbraw/zinc/51/31/98/433513198.db2.gz QUGOHARFLUYKRC-LPHOPBHVSA-N 2 1 318.436 3.145 20 0 DGADMP Cc1cc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)oc1C ZINC000282160960 433516410 /nfs/dbraw/zinc/51/64/10/433516410.db2.gz LSGWMGJYCQMLLF-AWEZNQCLSA-N 2 1 317.433 3.083 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@H]12 ZINC000351474172 433520784 /nfs/dbraw/zinc/52/07/84/433520784.db2.gz FSJWHTDEEYZUEY-UHOFOFEASA-N 2 1 317.820 3.164 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351475524 433521692 /nfs/dbraw/zinc/52/16/92/433521692.db2.gz IPKCRFYGTNTUDA-AQNXPRMDSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351475524 433521704 /nfs/dbraw/zinc/52/17/04/433521704.db2.gz IPKCRFYGTNTUDA-AQNXPRMDSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351475524 433521716 /nfs/dbraw/zinc/52/17/16/433521716.db2.gz IPKCRFYGTNTUDA-AQNXPRMDSA-N 2 1 316.489 3.100 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351475524 433521724 /nfs/dbraw/zinc/52/17/24/433521724.db2.gz IPKCRFYGTNTUDA-AQNXPRMDSA-N 2 1 316.489 3.100 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000351474795 433523403 /nfs/dbraw/zinc/52/34/03/433523403.db2.gz GYWMKUPRGLFPDB-DAXOMENPSA-N 2 1 317.433 3.118 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000351474795 433523410 /nfs/dbraw/zinc/52/34/10/433523410.db2.gz GYWMKUPRGLFPDB-DAXOMENPSA-N 2 1 317.433 3.118 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000355195076 433523476 /nfs/dbraw/zinc/52/34/76/433523476.db2.gz HXEQOJYJIAYNKH-ZGDBMJCWSA-N 2 1 318.461 3.087 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000355195076 433523491 /nfs/dbraw/zinc/52/34/91/433523491.db2.gz HXEQOJYJIAYNKH-ZGDBMJCWSA-N 2 1 318.461 3.087 20 0 DGADMP CN(c1ccccc1C[N@@H+](C)[C@H]1CC1(C)C)C1CC[NH+](C)CC1 ZINC000426549980 433528597 /nfs/dbraw/zinc/52/85/97/433528597.db2.gz VFDXZWIYUASOFU-IBGZPJMESA-N 2 1 315.505 3.447 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375695126 433531688 /nfs/dbraw/zinc/53/16/88/433531688.db2.gz ZNJALKRMTYHCHY-VIQWUECVSA-N 2 1 302.462 3.054 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000351496596 433532423 /nfs/dbraw/zinc/53/24/23/433532423.db2.gz UCZPUTQDWYCJPA-UHFFFAOYSA-N 2 1 314.473 3.460 20 0 DGADMP CN(CC[N@@H+](C)Cc1cccc(C2CC2)c1)C1CC[NH+](C)CC1 ZINC000421351561 433493742 /nfs/dbraw/zinc/49/37/42/433493742.db2.gz CGBQTBUWAQWIFL-UHFFFAOYSA-N 2 1 315.505 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(F)F)c1 ZINC000375607991 433503003 /nfs/dbraw/zinc/50/30/03/433503003.db2.gz PJXPTWHFNSDEPD-ZACQAIPSSA-N 2 1 324.415 3.308 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(F)F)c1 ZINC000375607991 433503008 /nfs/dbraw/zinc/50/30/08/433503008.db2.gz PJXPTWHFNSDEPD-ZACQAIPSSA-N 2 1 324.415 3.308 20 0 DGADMP CC[NH+](CC)CCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000351407144 433505231 /nfs/dbraw/zinc/50/52/31/433505231.db2.gz FFTJUXZVIRGORN-MOPGFXCFSA-N 2 1 309.542 3.305 20 0 DGADMP CC[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301318447 433505588 /nfs/dbraw/zinc/50/55/88/433505588.db2.gz PTAKTZYUTGUEDR-UHFFFAOYSA-N 2 1 320.234 3.139 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282285185 433550407 /nfs/dbraw/zinc/55/04/07/433550407.db2.gz LIJCXSNPZZXZOO-HNNXBMFYSA-N 2 1 308.429 3.210 20 0 DGADMP C[N@H+](C[C@@H](O)CN[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526447 433550569 /nfs/dbraw/zinc/55/05/69/433550569.db2.gz WXEPUJMKGRXYLM-LEWJYISDSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@@H](O)CN[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526447 433550578 /nfs/dbraw/zinc/55/05/78/433550578.db2.gz WXEPUJMKGRXYLM-LEWJYISDSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526447 433550586 /nfs/dbraw/zinc/55/05/86/433550586.db2.gz WXEPUJMKGRXYLM-LEWJYISDSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000351526447 433550596 /nfs/dbraw/zinc/55/05/96/433550596.db2.gz WXEPUJMKGRXYLM-LEWJYISDSA-N 2 1 324.468 3.015 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CN(C)C1CC1)CC1CCC1 ZINC000351523392 433551897 /nfs/dbraw/zinc/55/18/97/433551897.db2.gz OBWAMSCKSDMVHA-OXJNMPFZSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523392 433551910 /nfs/dbraw/zinc/55/19/10/433551910.db2.gz OBWAMSCKSDMVHA-OXJNMPFZSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523392 433551921 /nfs/dbraw/zinc/55/19/21/433551921.db2.gz OBWAMSCKSDMVHA-OXJNMPFZSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000351523392 433551931 /nfs/dbraw/zinc/55/19/31/433551931.db2.gz OBWAMSCKSDMVHA-OXJNMPFZSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000351523392 433551941 /nfs/dbraw/zinc/55/19/41/433551941.db2.gz OBWAMSCKSDMVHA-OXJNMPFZSA-N 2 1 316.489 3.305 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000414345913 433560807 /nfs/dbraw/zinc/56/08/07/433560807.db2.gz UHQZFSBJYQMFFX-MHEOJOEOSA-N 2 1 302.462 3.117 20 0 DGADMP Cc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(-c2ccnn2C)c1 ZINC000339410714 433564034 /nfs/dbraw/zinc/56/40/34/433564034.db2.gz SMSPRGPNDVYHMS-GOSISDBHSA-N 2 1 314.477 3.201 20 0 DGADMP Cc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000414361188 433566638 /nfs/dbraw/zinc/56/66/38/433566638.db2.gz BTDSAGOPZZZKPB-PKOBYXMFSA-N 2 1 324.472 3.175 20 0 DGADMP CC(C)Oc1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428748 433574528 /nfs/dbraw/zinc/57/45/28/433574528.db2.gz MGJPMAUSEKSCJX-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428748 433574537 /nfs/dbraw/zinc/57/45/37/433574537.db2.gz MGJPMAUSEKSCJX-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428748 433574544 /nfs/dbraw/zinc/57/45/44/433574544.db2.gz MGJPMAUSEKSCJX-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428748 433574549 /nfs/dbraw/zinc/57/45/49/433574549.db2.gz MGJPMAUSEKSCJX-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339426794 433575652 /nfs/dbraw/zinc/57/56/52/433575652.db2.gz QHEZULRTVKJFFI-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339426794 433575663 /nfs/dbraw/zinc/57/56/63/433575663.db2.gz QHEZULRTVKJFFI-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000362199692 433580015 /nfs/dbraw/zinc/58/00/15/433580015.db2.gz JTJGGQZKJPFAJD-RVKKMQEKSA-N 2 1 316.445 3.125 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCCO2 ZINC000362199692 433580023 /nfs/dbraw/zinc/58/00/23/433580023.db2.gz JTJGGQZKJPFAJD-RVKKMQEKSA-N 2 1 316.445 3.125 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCO ZINC000282366950 433581762 /nfs/dbraw/zinc/58/17/62/433581762.db2.gz BUDURULODFXZEM-IBGZPJMESA-N 2 1 318.505 3.429 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCO ZINC000282366950 433581769 /nfs/dbraw/zinc/58/17/69/433581769.db2.gz BUDURULODFXZEM-IBGZPJMESA-N 2 1 318.505 3.429 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439631 433586819 /nfs/dbraw/zinc/58/68/19/433586819.db2.gz JCUZKBLTHLYPCM-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439631 433586828 /nfs/dbraw/zinc/58/68/28/433586828.db2.gz JCUZKBLTHLYPCM-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439631 433586841 /nfs/dbraw/zinc/58/68/41/433586841.db2.gz JCUZKBLTHLYPCM-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000339439631 433586852 /nfs/dbraw/zinc/58/68/52/433586852.db2.gz JCUZKBLTHLYPCM-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(C)C[C@H]2c2ccccc2)s1 ZINC000339449082 433590156 /nfs/dbraw/zinc/59/01/56/433590156.db2.gz MOHJMEXFGXWYGQ-WMZOPIPTSA-N 2 1 315.486 3.488 20 0 DGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351511793 433543421 /nfs/dbraw/zinc/54/34/21/433543421.db2.gz DFVMBWYWBCRGEL-KYJSFNMBSA-N 2 1 320.477 3.070 20 0 DGADMP CC[C@@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282268785 433546629 /nfs/dbraw/zinc/54/66/29/433546629.db2.gz ALFGLVWEECUGFR-ROUUACIJSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282268785 433546646 /nfs/dbraw/zinc/54/66/46/433546646.db2.gz ALFGLVWEECUGFR-ROUUACIJSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CN(C)C2CC2)c1C ZINC000351519187 433547336 /nfs/dbraw/zinc/54/73/36/433547336.db2.gz NWKDTZYPMRKQLW-ICSRJNTNSA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000351519187 433547359 /nfs/dbraw/zinc/54/73/59/433547359.db2.gz NWKDTZYPMRKQLW-ICSRJNTNSA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000351519187 433547367 /nfs/dbraw/zinc/54/73/67/433547367.db2.gz NWKDTZYPMRKQLW-ICSRJNTNSA-N 2 1 316.489 3.286 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282268779 433547811 /nfs/dbraw/zinc/54/78/11/433547811.db2.gz ALFGLVWEECUGFR-MSOLQXFVSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282268779 433547820 /nfs/dbraw/zinc/54/78/20/433547820.db2.gz ALFGLVWEECUGFR-MSOLQXFVSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC3(F)CCC3)sc2C1 ZINC000342223927 433547861 /nfs/dbraw/zinc/54/78/61/433547861.db2.gz MMDDNSYTNHDSPC-UHFFFAOYSA-N 2 1 311.470 3.282 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000351633064 433628652 /nfs/dbraw/zinc/62/86/52/433628652.db2.gz YFAZOLFDMMANRS-QGZVFWFLSA-N 2 1 302.462 3.316 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000351633064 433628658 /nfs/dbraw/zinc/62/86/58/433628658.db2.gz YFAZOLFDMMANRS-QGZVFWFLSA-N 2 1 302.462 3.316 20 0 DGADMP CO[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000339526441 433641602 /nfs/dbraw/zinc/64/16/02/433641602.db2.gz IVZIEBDTZUBNTD-SFHVURJKSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@H]1CCc2nc(CN(C)C[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000351580011 433595796 /nfs/dbraw/zinc/59/57/96/433595796.db2.gz AGDSXJRPNYNVSY-KBPBESRZSA-N 2 1 307.507 3.042 20 0 DGADMP Cc1n[nH]cc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282422969 433602936 /nfs/dbraw/zinc/60/29/36/433602936.db2.gz BSYIKXQPFWJLHI-SFHVURJKSA-N 2 1 312.461 3.108 20 0 DGADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000376100253 433662097 /nfs/dbraw/zinc/66/20/97/433662097.db2.gz AEJATXAEXJLTGM-YTQUADARSA-N 2 1 302.462 3.022 20 0 DGADMP CC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)CC(F)(F)F ZINC000414513170 433680625 /nfs/dbraw/zinc/68/06/25/433680625.db2.gz FJYSWXRZUVGCLW-SNVBAGLBSA-N 2 1 309.401 3.273 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4CCOC4)C3)CC2)cc1 ZINC000362395209 433687932 /nfs/dbraw/zinc/68/79/32/433687932.db2.gz HOTROPMJJQHNQQ-LJQANCHMSA-N 2 1 314.473 3.011 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000376044022 433651485 /nfs/dbraw/zinc/65/14/85/433651485.db2.gz ANYSXHZSMAFOOA-GGPKGHCWSA-N 2 1 315.505 3.223 20 0 DGADMP Cc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000449037142 433697352 /nfs/dbraw/zinc/69/73/52/433697352.db2.gz MMRQZYQJUOJFDB-UHFFFAOYSA-N 2 1 321.534 3.047 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1n1ccnc1 ZINC000367215122 293039440 /nfs/dbraw/zinc/03/94/40/293039440.db2.gz DEUBEXOTDPSIAF-IUODEOHRSA-N 2 1 314.364 3.247 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367237583 293042269 /nfs/dbraw/zinc/04/22/69/293042269.db2.gz LRNUPWISCOOCSZ-HSALFYBXSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000367375524 293063620 /nfs/dbraw/zinc/06/36/20/293063620.db2.gz UKELYYUIASEPAM-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP CCOC1CC(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000367545277 293086185 /nfs/dbraw/zinc/08/61/85/293086185.db2.gz UOMDGAPHSORGNC-YYZRRKBYSA-N 2 1 308.510 3.388 20 0 DGADMP COc1cc(F)cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000449046743 433707547 /nfs/dbraw/zinc/70/75/47/433707547.db2.gz LZAQDLZPXAJGNU-GUYCJALGSA-N 2 1 303.381 3.114 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000374075184 293349643 /nfs/dbraw/zinc/34/96/43/293349643.db2.gz QSCNUNHXQJJSHJ-YRXWBPOGSA-N 2 1 308.510 3.124 20 0 DGADMP CO[C@H](C)c1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000374171102 293361028 /nfs/dbraw/zinc/36/10/28/293361028.db2.gz BWMIHBCBUPGEQV-CQSZACIVSA-N 2 1 323.506 3.158 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000374171102 293361031 /nfs/dbraw/zinc/36/10/31/293361031.db2.gz BWMIHBCBUPGEQV-CQSZACIVSA-N 2 1 323.506 3.158 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000374201076 293365477 /nfs/dbraw/zinc/36/54/77/293365477.db2.gz WRUQOIJTJQFANU-UHFFFAOYSA-N 2 1 304.482 3.269 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374335613 293385426 /nfs/dbraw/zinc/38/54/26/293385426.db2.gz YDQVWGLHULXUPS-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374335613 293385428 /nfs/dbraw/zinc/38/54/28/293385428.db2.gz YDQVWGLHULXUPS-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374375569 293391221 /nfs/dbraw/zinc/39/12/21/293391221.db2.gz SDLJJENAYPHFMZ-ROUUACIJSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000356830081 433719516 /nfs/dbraw/zinc/71/95/16/433719516.db2.gz CZTHHYONUNRHHJ-AEFFLSMTSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC23CCCCC3)CC1(C)C ZINC000449306312 433738532 /nfs/dbraw/zinc/73/85/32/433738532.db2.gz VXCRDBAWJYENFR-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421816789 433741240 /nfs/dbraw/zinc/74/12/40/433741240.db2.gz QVEJDZIYKJEVKA-FUHWJXTLSA-N 2 1 301.478 3.183 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)C1CCCCC1 ZINC000421819143 433746008 /nfs/dbraw/zinc/74/60/08/433746008.db2.gz FJDHKYDNEBAUBI-UYAOXDASSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000351855366 433754307 /nfs/dbraw/zinc/75/43/07/433754307.db2.gz SYXCVMIDJGICMM-YJBOKZPZSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000356900334 433756115 /nfs/dbraw/zinc/75/61/15/433756115.db2.gz YOJXANVNKLBTIE-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000356900334 433756119 /nfs/dbraw/zinc/75/61/19/433756119.db2.gz YOJXANVNKLBTIE-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP C[NH+](C)CCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000283693697 433762761 /nfs/dbraw/zinc/76/27/61/433762761.db2.gz AMLPLIQOBMZZES-UHFFFAOYSA-N 3 1 317.521 3.361 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414659135 433773153 /nfs/dbraw/zinc/77/31/53/433773153.db2.gz SCZGVDKTZQHODA-HXUWFJFHSA-N 2 1 308.469 3.369 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000421856658 433777683 /nfs/dbraw/zinc/77/76/83/433777683.db2.gz NUKWQIZSVPUSKW-ROUUACIJSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000421856658 433777691 /nfs/dbraw/zinc/77/76/91/433777691.db2.gz NUKWQIZSVPUSKW-ROUUACIJSA-N 2 1 302.462 3.107 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414664985 433778400 /nfs/dbraw/zinc/77/84/00/433778400.db2.gz DDPLBDGWMPNYDT-OLZOCXBDSA-N 2 1 300.368 3.350 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000414669005 433780671 /nfs/dbraw/zinc/78/06/71/433780671.db2.gz JWRXRUCHKLKONH-MBGYTDRXSA-N 2 1 320.452 3.072 20 0 DGADMP CC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000421878556 433789216 /nfs/dbraw/zinc/78/92/16/433789216.db2.gz NMYZLMCRRMXBDO-FUMNGEBKSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414678626 433789221 /nfs/dbraw/zinc/78/92/21/433789221.db2.gz KXMIUHDQOMGYTH-MNOVXSKESA-N 2 1 317.296 3.331 20 0 DGADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000356977771 433795514 /nfs/dbraw/zinc/79/55/14/433795514.db2.gz YSYKCJIOZHXOCR-KBAYOESNSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000356977771 433795519 /nfs/dbraw/zinc/79/55/19/433795519.db2.gz YSYKCJIOZHXOCR-KBAYOESNSA-N 2 1 322.880 3.332 20 0 DGADMP CC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414719101 433808017 /nfs/dbraw/zinc/80/80/17/433808017.db2.gz UGPPCIKQKUHZHI-DOTOQJQBSA-N 2 1 322.468 3.477 20 0 DGADMP CC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414719104 433808241 /nfs/dbraw/zinc/80/82/41/433808241.db2.gz UGPPCIKQKUHZHI-WBVHZDCISA-N 2 1 322.468 3.477 20 0 DGADMP CC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414719103 433808276 /nfs/dbraw/zinc/80/82/76/433808276.db2.gz UGPPCIKQKUHZHI-RDJZCZTQSA-N 2 1 322.468 3.477 20 0 DGADMP Clc1scc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC000414773128 433825100 /nfs/dbraw/zinc/82/51/00/433825100.db2.gz WHFAWPSANBOCSM-AOOOYVTPSA-N 2 1 305.274 3.486 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000283985213 433809693 /nfs/dbraw/zinc/80/96/93/433809693.db2.gz JHTURNSAEZTQRQ-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000414757633 433814998 /nfs/dbraw/zinc/81/49/98/433814998.db2.gz SXSHGWUCSNQFHJ-CHWSQXEVSA-N 2 1 323.278 3.195 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414763791 433820046 /nfs/dbraw/zinc/82/00/46/433820046.db2.gz XYYSUUDXQHQHOX-VVWQDTPRSA-N 2 1 320.452 3.366 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774094 433822922 /nfs/dbraw/zinc/82/29/22/433822922.db2.gz FGTBOVRPRMOSKG-KGLIPLIRSA-N 2 1 308.853 3.170 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284263986 433874142 /nfs/dbraw/zinc/87/41/42/433874142.db2.gz WJZABSIJWUHCCA-ACAXCVFMSA-N 2 1 318.505 3.426 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414776326 433828053 /nfs/dbraw/zinc/82/80/53/433828053.db2.gz HAAPVLUGWBYTNF-ZWKOTPCHSA-N 2 1 324.472 3.207 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc2n1 ZINC000414780014 433829320 /nfs/dbraw/zinc/82/93/20/433829320.db2.gz LAXJWKKWQROQPT-RTBURBONSA-N 2 1 309.457 3.365 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414776322 433829455 /nfs/dbraw/zinc/82/94/55/433829455.db2.gz HAAPVLUGWBYTNF-MSOLQXFVSA-N 2 1 324.472 3.207 20 0 DGADMP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776384 433831464 /nfs/dbraw/zinc/83/14/64/433831464.db2.gz HFRKQANQNOVSRI-GJZGRUSLSA-N 2 1 305.491 3.232 20 0 DGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1 ZINC000414785643 433832569 /nfs/dbraw/zinc/83/25/69/433832569.db2.gz SWMGHROWAGHHLM-ZBFHGGJFSA-N 2 1 322.880 3.131 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1)C(C)C ZINC000293698911 433835043 /nfs/dbraw/zinc/83/50/43/433835043.db2.gz PWBPSHIPBGKJRV-UHFFFAOYSA-N 2 1 319.493 3.164 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414786252 433835427 /nfs/dbraw/zinc/83/54/27/433835427.db2.gz UJAFVCBRKIZOJU-KGLIPLIRSA-N 2 1 307.507 3.262 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000343988927 433838673 /nfs/dbraw/zinc/83/86/73/433838673.db2.gz OYSAVQXWMCMQJA-GPMSIDNRSA-N 2 1 302.462 3.325 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414803130 433842653 /nfs/dbraw/zinc/84/26/53/433842653.db2.gz LNAJPQBVJQEPEX-UHFFFAOYSA-N 2 1 312.841 3.108 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000284155810 433845512 /nfs/dbraw/zinc/84/55/12/433845512.db2.gz PNTUXYBPGDQCRA-MAUKXSAKSA-N 2 1 302.462 3.480 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293738406 433852080 /nfs/dbraw/zinc/85/20/80/433852080.db2.gz NISGBENMGKFWOY-KOLCDFICSA-N 2 1 317.296 3.428 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000293754394 433856049 /nfs/dbraw/zinc/85/60/49/433856049.db2.gz YKTUHIFZRMGPFN-UXHICEINSA-N 2 1 314.473 3.232 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414818559 433858267 /nfs/dbraw/zinc/85/82/67/433858267.db2.gz WCKFMUQYPCOBIL-IUODEOHRSA-N 2 1 311.857 3.164 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000414819066 433858554 /nfs/dbraw/zinc/85/85/54/433858554.db2.gz XQSROTGZWRALIJ-ZBFHGGJFSA-N 2 1 305.466 3.073 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2ccccn2)CC1)CC1CC1 ZINC000357091025 433861813 /nfs/dbraw/zinc/86/18/13/433861813.db2.gz WAASGODMRHOJGA-UHFFFAOYSA-N 2 1 315.505 3.458 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435429622 433870806 /nfs/dbraw/zinc/87/08/06/433870806.db2.gz YHRMVRVMPXCEQN-DOTOQJQBSA-N 2 1 320.502 3.119 20 0 DGADMP C[C@H](CCNc1ncnc(N)c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000302876294 433895951 /nfs/dbraw/zinc/89/59/51/433895951.db2.gz FNNMWFMRDUACJW-GFCCVEGCSA-N 2 1 319.840 3.035 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000293864656 433901206 /nfs/dbraw/zinc/90/12/06/433901206.db2.gz URZLTPXMCKDTQZ-GOSISDBHSA-N 2 1 302.462 3.117 20 0 DGADMP C[C@@H](CO)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284960916 433908318 /nfs/dbraw/zinc/90/83/18/433908318.db2.gz FLTOHQOAPNQMFK-QHGAOEGBSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccc(Br)cc2F)CCC[NH2+]C1 ZINC000414900198 433909275 /nfs/dbraw/zinc/90/92/75/433909275.db2.gz HZAMYXAFMPDTKZ-AWEZNQCLSA-N 2 1 315.230 3.068 20 0 DGADMP COc1cc(Cl)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414900721 433909808 /nfs/dbraw/zinc/90/98/08/433909808.db2.gz IODFZVYLACVLAN-OAHLLOKOSA-N 2 1 317.260 3.481 20 0 DGADMP Fc1ccc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)[nH]c2c1 ZINC000362927687 433910936 /nfs/dbraw/zinc/91/09/36/433910936.db2.gz KIKQNNCRZJFHIM-UHFFFAOYSA-N 2 1 301.409 3.414 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@]1(C)CCC[NH2+]C1 ZINC000414913798 433912317 /nfs/dbraw/zinc/91/23/17/433912317.db2.gz WUTSKHMZZMYLIW-FQEVSTJZSA-N 3 1 317.521 3.124 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414913798 433912325 /nfs/dbraw/zinc/91/23/25/433912325.db2.gz WUTSKHMZZMYLIW-FQEVSTJZSA-N 3 1 317.521 3.124 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414913798 433912332 /nfs/dbraw/zinc/91/23/32/433912332.db2.gz WUTSKHMZZMYLIW-FQEVSTJZSA-N 3 1 317.521 3.124 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000377544964 433913391 /nfs/dbraw/zinc/91/33/91/433913391.db2.gz WEFLAQHJIUFQNN-BCFRTAFHSA-N 2 1 306.400 3.427 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000414916226 433916184 /nfs/dbraw/zinc/91/61/84/433916184.db2.gz PDNMGUSQNJDZDR-NZSAHSFTSA-N 3 1 307.526 3.009 20 0 DGADMP CCOCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC ZINC000422559184 433919016 /nfs/dbraw/zinc/91/90/16/433919016.db2.gz CPEQZHZVGPHHAX-VKJFTORMSA-N 2 1 320.477 3.037 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414933032 433922755 /nfs/dbraw/zinc/92/27/55/433922755.db2.gz RPPRLHQWRHCYQV-ZOWXZIJZSA-N 2 1 300.368 3.224 20 0 DGADMP Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1C ZINC000362953138 433923595 /nfs/dbraw/zinc/92/35/95/433923595.db2.gz XNYZDRDAHQLZTL-MRXNPFEDSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1C ZINC000362953138 433923605 /nfs/dbraw/zinc/92/36/05/433923605.db2.gz XNYZDRDAHQLZTL-MRXNPFEDSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1C ZINC000362953138 433923615 /nfs/dbraw/zinc/92/36/15/433923615.db2.gz XNYZDRDAHQLZTL-MRXNPFEDSA-N 2 1 318.509 3.205 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]1 ZINC000414952909 433933985 /nfs/dbraw/zinc/93/39/85/433933985.db2.gz REIGJPUDQVQAOQ-MWLCHTKSSA-N 2 1 304.768 3.172 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1CCCCC1 ZINC000414851544 433882017 /nfs/dbraw/zinc/88/20/17/433882017.db2.gz PGPKVMAYBUOCEN-AWEZNQCLSA-N 2 1 316.367 3.424 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414855902 433888131 /nfs/dbraw/zinc/88/81/31/433888131.db2.gz XVGCIDDMPUOJBI-YOEHRIQHSA-N 2 1 320.477 3.132 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000285418693 433943404 /nfs/dbraw/zinc/94/34/04/433943404.db2.gz YCEZQWDOKOOWDE-XEVCZEQESA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000414976985 433950836 /nfs/dbraw/zinc/95/08/36/433950836.db2.gz JAUVKERSGUILCL-QGZVFWFLSA-N 2 1 314.429 3.101 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000340168581 433952749 /nfs/dbraw/zinc/95/27/49/433952749.db2.gz SDCAVZFPDNLCJK-ZWKOTPCHSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000340168581 433952755 /nfs/dbraw/zinc/95/27/55/433952755.db2.gz SDCAVZFPDNLCJK-ZWKOTPCHSA-N 2 1 324.424 3.340 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414980024 433953639 /nfs/dbraw/zinc/95/36/39/433953639.db2.gz WCDYPCDUOWUWAE-OAHLLOKOSA-N 2 1 301.459 3.288 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000340168578 433954563 /nfs/dbraw/zinc/95/45/63/433954563.db2.gz SDCAVZFPDNLCJK-MSOLQXFVSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000340168578 433954571 /nfs/dbraw/zinc/95/45/71/433954571.db2.gz SDCAVZFPDNLCJK-MSOLQXFVSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@@H+](Cc1ccccc1CN[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422735299 433959554 /nfs/dbraw/zinc/95/95/54/433959554.db2.gz VWERQXHEVTWMQF-UXHICEINSA-N 2 1 315.505 3.421 20 0 DGADMP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422735299 433959562 /nfs/dbraw/zinc/95/95/62/433959562.db2.gz VWERQXHEVTWMQF-UXHICEINSA-N 3 1 315.505 3.421 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422735299 433959570 /nfs/dbraw/zinc/95/95/70/433959570.db2.gz VWERQXHEVTWMQF-UXHICEINSA-N 3 1 315.505 3.421 20 0 DGADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340182083 433962030 /nfs/dbraw/zinc/96/20/30/433962030.db2.gz PLLNMLSKTDCOFH-UXHICEINSA-N 2 1 315.505 3.288 20 0 DGADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340180925 433963460 /nfs/dbraw/zinc/96/34/60/433963460.db2.gz HTNZNZFXSZQYHB-AZUAARDMSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000422740650 433964216 /nfs/dbraw/zinc/96/42/16/433964216.db2.gz NYGFJJHNRPPDQQ-SCTDSRPQSA-N 2 1 303.494 3.175 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])c2cccs2)CC1 ZINC000422748838 433970830 /nfs/dbraw/zinc/97/08/30/433970830.db2.gz WMWNGARBVVCUEC-YESZJQIVSA-N 2 1 321.534 3.238 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1C ZINC000415068946 433976363 /nfs/dbraw/zinc/97/63/63/433976363.db2.gz RVWULOXANHFXMF-RDTXWAMCSA-N 2 1 317.477 3.128 20 0 DGADMP CCC[N@@H+](C)[C@@H](CNC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000285519864 433980854 /nfs/dbraw/zinc/98/08/54/433980854.db2.gz KHSOJWNUFQYNCU-SFHVURJKSA-N 2 1 323.912 3.407 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1OC ZINC000285537226 433985804 /nfs/dbraw/zinc/98/58/04/433985804.db2.gz BYEXLKVMAHRYNA-AWEZNQCLSA-N 2 1 317.433 3.258 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000340216663 433990700 /nfs/dbraw/zinc/99/07/00/433990700.db2.gz UIZGLFQTVBATEE-GDBMZVCRSA-N 2 1 308.491 3.117 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000340216663 433990709 /nfs/dbraw/zinc/99/07/09/433990709.db2.gz UIZGLFQTVBATEE-GDBMZVCRSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C[NH3+] ZINC000422640441 433937400 /nfs/dbraw/zinc/93/74/00/433937400.db2.gz VOKSIHOVWYUFJY-VNHYZAJKSA-N 2 1 317.408 3.286 20 0 DGADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn2c1 ZINC000422707780 433938680 /nfs/dbraw/zinc/93/86/80/433938680.db2.gz AXIPGGZOEUKUHR-KZNAEPCWSA-N 2 1 312.461 3.043 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414960703 433938925 /nfs/dbraw/zinc/93/89/25/433938925.db2.gz YHXMFEIKIVTORK-NVXWUHKLSA-N 2 1 320.477 3.494 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414959342 433940230 /nfs/dbraw/zinc/94/02/30/433940230.db2.gz SXIKWQGNEYMESP-LALPHHSUSA-N 2 1 300.368 3.367 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414963071 433940694 /nfs/dbraw/zinc/94/06/94/433940694.db2.gz COEPQIIYJVZKGT-LJQANCHMSA-N 3 1 317.521 3.266 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414963071 433940705 /nfs/dbraw/zinc/94/07/05/433940705.db2.gz COEPQIIYJVZKGT-LJQANCHMSA-N 2 1 317.521 3.266 20 0 DGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422790949 434004364 /nfs/dbraw/zinc/00/43/64/434004364.db2.gz CJVLGVNSRIKGLZ-SJORKVTESA-N 2 1 303.450 3.031 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(C2CC2)c1 ZINC000340236663 434006827 /nfs/dbraw/zinc/00/68/27/434006827.db2.gz LMTYYLCBUXVQFN-OXQOHEQNSA-N 2 1 316.489 3.307 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccc(Cl)cc1 ZINC000422795862 434010735 /nfs/dbraw/zinc/01/07/35/434010735.db2.gz IECMOQGMDYBQQH-RYUDHWBXSA-N 2 1 305.809 3.266 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841192 434016079 /nfs/dbraw/zinc/01/60/79/434016079.db2.gz ZMKUVFKBVNTAQM-UKRRQHHQSA-N 2 1 307.507 3.357 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841192 434016090 /nfs/dbraw/zinc/01/60/90/434016090.db2.gz ZMKUVFKBVNTAQM-UKRRQHHQSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841192 434016100 /nfs/dbraw/zinc/01/61/00/434016100.db2.gz ZMKUVFKBVNTAQM-UKRRQHHQSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841192 434016107 /nfs/dbraw/zinc/01/61/07/434016107.db2.gz ZMKUVFKBVNTAQM-UKRRQHHQSA-N 2 1 307.507 3.357 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C[C@H]1c1ccccc1 ZINC000340250532 434016519 /nfs/dbraw/zinc/01/65/19/434016519.db2.gz GZJLMXNAPRXOIZ-OALUTQOASA-N 2 1 316.489 3.354 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C[C@H]1c1ccccc1 ZINC000340250532 434016526 /nfs/dbraw/zinc/01/65/26/434016526.db2.gz GZJLMXNAPRXOIZ-OALUTQOASA-N 2 1 316.489 3.354 20 0 DGADMP CN(CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000422804209 434016686 /nfs/dbraw/zinc/01/66/86/434016686.db2.gz DVWNFZPSQYKSMV-ICSRJNTNSA-N 2 1 309.457 3.206 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340262026 434018863 /nfs/dbraw/zinc/01/88/63/434018863.db2.gz UQAOECIICWUCEQ-RTBURBONSA-N 2 1 324.472 3.309 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340262026 434018874 /nfs/dbraw/zinc/01/88/74/434018874.db2.gz UQAOECIICWUCEQ-RTBURBONSA-N 2 1 324.472 3.309 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000363381802 434032120 /nfs/dbraw/zinc/03/21/20/434032120.db2.gz KSJUFHJMBIGMFR-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000363381802 434032129 /nfs/dbraw/zinc/03/21/29/434032129.db2.gz KSJUFHJMBIGMFR-IAGOWNOFSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCc2cscn2)C1 ZINC000340281277 434033390 /nfs/dbraw/zinc/03/33/90/434033390.db2.gz OIPJOCKGMGVAMD-CVEARBPZSA-N 2 1 307.507 3.272 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000340290816 434037598 /nfs/dbraw/zinc/03/75/98/434037598.db2.gz PDGDKRBHPCCXCR-LJQANCHMSA-N 2 1 307.526 3.200 20 0 DGADMP COC1CCC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422837289 434039155 /nfs/dbraw/zinc/03/91/55/434039155.db2.gz LUQDKRUKMHTNAE-UIDNRLJLSA-N 2 1 302.462 3.275 20 0 DGADMP CC1(C)Cc2occc2[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000305104300 434039634 /nfs/dbraw/zinc/03/96/34/434039634.db2.gz CIOFQLZPXNXUAI-RDJZCZTQSA-N 2 1 320.477 3.120 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1sccc1Br ZINC000401888922 293868786 /nfs/dbraw/zinc/86/87/86/293868786.db2.gz WARHIYGSBAJOAO-SECBINFHSA-N 2 1 314.252 3.137 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000401770553 293868848 /nfs/dbraw/zinc/86/88/48/293868848.db2.gz OEJBVNHEWFNWMO-NSHDSACASA-N 2 1 308.223 3.076 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836385 434042550 /nfs/dbraw/zinc/04/25/50/434042550.db2.gz JXALDPIMLUSTQK-CLPROHDKSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422836385 434042558 /nfs/dbraw/zinc/04/25/58/434042558.db2.gz JXALDPIMLUSTQK-CLPROHDKSA-N 3 1 315.505 3.004 20 0 DGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340300643 434044522 /nfs/dbraw/zinc/04/45/22/434044522.db2.gz KKUVJHARQCYOEH-OALUTQOASA-N 2 1 324.472 3.227 20 0 DGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340300643 434044537 /nfs/dbraw/zinc/04/45/37/434044537.db2.gz KKUVJHARQCYOEH-OALUTQOASA-N 2 1 324.472 3.227 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000285698683 434045507 /nfs/dbraw/zinc/04/55/07/434045507.db2.gz OTBVOZWCLJNQRV-OYYDLILQSA-N 2 1 324.415 3.337 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000285698683 434045517 /nfs/dbraw/zinc/04/55/17/434045517.db2.gz OTBVOZWCLJNQRV-OYYDLILQSA-N 2 1 324.415 3.337 20 0 DGADMP CC(C)COc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422863102 434061173 /nfs/dbraw/zinc/06/11/73/434061173.db2.gz QZTOZSQYWZVBKK-HNNXBMFYSA-N 2 1 313.445 3.422 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[NH2+]1 ZINC000414961781 293896109 /nfs/dbraw/zinc/89/61/09/293896109.db2.gz ZCNNHDKCGURTHD-WBVHZDCISA-N 2 1 310.445 3.080 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)s2)cc1 ZINC000414962535 293896513 /nfs/dbraw/zinc/89/65/13/293896513.db2.gz ZTGJPHDJWRGKMT-ZFWWWQNUSA-N 2 1 301.459 3.349 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422866862 434067885 /nfs/dbraw/zinc/06/78/85/434067885.db2.gz RANQUCHXLUWQTD-RBUKOAKNSA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422866862 434067894 /nfs/dbraw/zinc/06/78/94/434067894.db2.gz RANQUCHXLUWQTD-RBUKOAKNSA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422866862 434067903 /nfs/dbraw/zinc/06/79/03/434067903.db2.gz RANQUCHXLUWQTD-RBUKOAKNSA-N 3 1 303.494 3.276 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877071 434072401 /nfs/dbraw/zinc/07/24/01/434072401.db2.gz HKCMWJJRYRCPGC-HBFSDRIKSA-N 3 1 317.521 3.047 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422877071 434072407 /nfs/dbraw/zinc/07/24/07/434072407.db2.gz HKCMWJJRYRCPGC-HBFSDRIKSA-N 2 1 317.521 3.047 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422877071 434072416 /nfs/dbraw/zinc/07/24/16/434072416.db2.gz HKCMWJJRYRCPGC-HBFSDRIKSA-N 2 1 317.521 3.047 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422880179 434075097 /nfs/dbraw/zinc/07/50/97/434075097.db2.gz NLBKMIMLRPXTBY-LXZKKBNFSA-N 2 1 321.896 3.062 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422878690 434075292 /nfs/dbraw/zinc/07/52/92/434075292.db2.gz JQRFKXSKHJMGDU-HOTGVXAUSA-N 3 1 318.509 3.154 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422878640 434077988 /nfs/dbraw/zinc/07/79/88/434077988.db2.gz JLAIKXJHMOLJLT-MOPGFXCFSA-N 3 1 301.478 3.233 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422878640 434077998 /nfs/dbraw/zinc/07/79/98/434077998.db2.gz JLAIKXJHMOLJLT-MOPGFXCFSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885696 434080566 /nfs/dbraw/zinc/08/05/66/434080566.db2.gz UYARTPHQSNUFLT-AYOQOUSVSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885696 434080573 /nfs/dbraw/zinc/08/05/73/434080573.db2.gz UYARTPHQSNUFLT-AYOQOUSVSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885696 434080581 /nfs/dbraw/zinc/08/05/81/434080581.db2.gz UYARTPHQSNUFLT-AYOQOUSVSA-N 3 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422885696 434080583 /nfs/dbraw/zinc/08/05/83/434080583.db2.gz UYARTPHQSNUFLT-AYOQOUSVSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422885696 434080592 /nfs/dbraw/zinc/08/05/92/434080592.db2.gz UYARTPHQSNUFLT-AYOQOUSVSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422885509 434081454 /nfs/dbraw/zinc/08/14/54/434081454.db2.gz GVYDDJSLFDMFEA-RMJJICAUSA-N 3 1 317.521 3.250 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422885509 434081460 /nfs/dbraw/zinc/08/14/60/434081460.db2.gz GVYDDJSLFDMFEA-RMJJICAUSA-N 2 1 317.521 3.250 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000422885507 434082666 /nfs/dbraw/zinc/08/26/66/434082666.db2.gz GVYDDJSLFDMFEA-KZNAEPCWSA-N 2 1 317.521 3.250 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340358880 434082922 /nfs/dbraw/zinc/08/29/22/434082922.db2.gz CALQINFHUPXAQB-YRPNKDGESA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340358880 434082930 /nfs/dbraw/zinc/08/29/30/434082930.db2.gz CALQINFHUPXAQB-YRPNKDGESA-N 2 1 314.473 3.369 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000422888080 434085651 /nfs/dbraw/zinc/08/56/51/434085651.db2.gz LXJGYVMNDGBVNM-ROUUACIJSA-N 2 1 312.461 3.109 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000353380000 434089634 /nfs/dbraw/zinc/08/96/34/434089634.db2.gz ASABQFMLVBHVMJ-OWCLPIDISA-N 2 1 320.477 3.419 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000353380000 434089643 /nfs/dbraw/zinc/08/96/43/434089643.db2.gz ASABQFMLVBHVMJ-OWCLPIDISA-N 2 1 320.477 3.419 20 0 DGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422895537 434091431 /nfs/dbraw/zinc/09/14/31/434091431.db2.gz FZVNTLBYUJAAGN-FXAWDEMLSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]([NH2+]CCC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783497 434094749 /nfs/dbraw/zinc/09/47/49/434094749.db2.gz LWJPECHEGPTPON-PXNSSMCTSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309747829 434094774 /nfs/dbraw/zinc/09/47/74/434094774.db2.gz VAUHBYMRRZQDNE-NXHRZFHOSA-N 2 1 304.503 3.240 20 0 DGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C2CC2)c1 ZINC000340380144 434096192 /nfs/dbraw/zinc/09/61/92/434096192.db2.gz FUICQIOBASLGAZ-MRXNPFEDSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1c[nH+]ccc1N ZINC000422901776 434097971 /nfs/dbraw/zinc/09/79/71/434097971.db2.gz CGOGJXJFKONCBP-LBPRGKRZSA-N 2 1 316.474 3.113 20 0 DGADMP C[C@H]1CC(CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)C1 ZINC000363615970 434099241 /nfs/dbraw/zinc/09/92/41/434099241.db2.gz WJCPCJBHQPXNPA-GGPKGHCWSA-N 2 1 321.553 3.161 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340316390 434055431 /nfs/dbraw/zinc/05/54/31/434055431.db2.gz RWGUMZDZBYGTDZ-FCGDIQPGSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340316390 434055441 /nfs/dbraw/zinc/05/54/41/434055441.db2.gz RWGUMZDZBYGTDZ-FCGDIQPGSA-N 2 1 302.462 3.369 20 0 DGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@H+](C4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422857643 434056484 /nfs/dbraw/zinc/05/64/84/434056484.db2.gz HHIVSQOZHGUIRC-BJLQDIEVSA-N 2 1 313.489 3.086 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000363458941 434059601 /nfs/dbraw/zinc/05/96/01/434059601.db2.gz DQHIJXRMTZOPEA-UHFFFAOYSA-N 2 1 313.445 3.081 20 0 DGADMP COc1ccc2c(c1)CC[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000363458941 434059608 /nfs/dbraw/zinc/05/96/08/434059608.db2.gz DQHIJXRMTZOPEA-UHFFFAOYSA-N 2 1 313.445 3.081 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422906433 434103310 /nfs/dbraw/zinc/10/33/10/434103310.db2.gz VEBZMVHSGXEMDL-CABCVRRESA-N 2 1 316.367 3.462 20 0 DGADMP C[N@@H+]1CC[C@@H](NCc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397432 434105992 /nfs/dbraw/zinc/10/59/92/434105992.db2.gz ZWUVFHCTSUGXGP-QUCCMNQESA-N 2 1 320.440 3.259 20 0 DGADMP C[N@H+]1CC[C@@H](NCc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397432 434105998 /nfs/dbraw/zinc/10/59/98/434105998.db2.gz ZWUVFHCTSUGXGP-QUCCMNQESA-N 2 1 320.440 3.259 20 0 DGADMP CCc1cccc2c(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)c[nH]c21 ZINC000422914599 434106534 /nfs/dbraw/zinc/10/65/34/434106534.db2.gz UXKYEBHPOLRXOD-ZDUSSCGKSA-N 2 1 308.429 3.431 20 0 DGADMP COc1cccc(OCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422918457 434106727 /nfs/dbraw/zinc/10/67/27/434106727.db2.gz IEGVRTIUPSOOHJ-OALUTQOASA-N 2 1 312.413 3.199 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340397836 434107281 /nfs/dbraw/zinc/10/72/81/434107281.db2.gz WIGKMRXYRXBMRH-QRQLOZEOSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397836 434107300 /nfs/dbraw/zinc/10/73/00/434107300.db2.gz WIGKMRXYRXBMRH-QRQLOZEOSA-N 2 1 303.494 3.140 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422916687 434107247 /nfs/dbraw/zinc/10/72/47/434107247.db2.gz BJFWQARIJBDTJF-KZNAEPCWSA-N 2 1 300.377 3.248 20 0 DGADMP CCCCOCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310014009 434107938 /nfs/dbraw/zinc/10/79/38/434107938.db2.gz MKSZBOIPOYIGMP-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310014009 434107947 /nfs/dbraw/zinc/10/79/47/434107947.db2.gz MKSZBOIPOYIGMP-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310014009 434107956 /nfs/dbraw/zinc/10/79/56/434107956.db2.gz MKSZBOIPOYIGMP-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422922749 434113655 /nfs/dbraw/zinc/11/36/55/434113655.db2.gz UGCDMNCOERKXOP-ZWNOBZJWSA-N 2 1 302.340 3.034 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422936833 434121136 /nfs/dbraw/zinc/12/11/36/434121136.db2.gz CAVVIXIBECCTNZ-ILXRZTDVSA-N 2 1 308.491 3.011 20 0 DGADMP C[C@@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1c[nH+]ccc1N ZINC000422912248 434101493 /nfs/dbraw/zinc/10/14/93/434101493.db2.gz VPYNQXVTYLWWFK-WBVHZDCISA-N 2 1 316.493 3.189 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnc2ccccc2c1 ZINC000422911015 434102121 /nfs/dbraw/zinc/10/21/21/434102121.db2.gz JVBPFHRHFLJDAK-FOIQADDNSA-N 2 1 305.425 3.283 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)[C@@H](C)C1 ZINC000499233407 294081432 /nfs/dbraw/zinc/08/14/32/294081432.db2.gz JVGQLPXZENKNFX-QFBILLFUSA-N 2 1 322.468 3.095 20 0 DGADMP CCC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000499657158 294090075 /nfs/dbraw/zinc/09/00/75/294090075.db2.gz MLBJGLAQPUFDPK-INIZCTEOSA-N 2 1 313.445 3.172 20 0 DGADMP CCC1CCC([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000500142291 294105718 /nfs/dbraw/zinc/10/57/18/294105718.db2.gz VMJBLZPGOHHPOY-UHFFFAOYSA-N 2 1 309.542 3.303 20 0 DGADMP CCOc1ccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422945768 434129380 /nfs/dbraw/zinc/12/93/80/434129380.db2.gz NVGACFWHQKSAJX-MGPUTAFESA-N 2 1 310.441 3.372 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000507203363 294288197 /nfs/dbraw/zinc/28/81/97/294288197.db2.gz NDDYYUAFPVHWPY-KRWDZBQOSA-N 2 1 303.494 3.305 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000508544030 294325504 /nfs/dbraw/zinc/32/55/04/294325504.db2.gz KRWMBUIPSARGMG-NIFLVVHWSA-N 2 1 302.462 3.120 20 0 DGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000508544030 294325508 /nfs/dbraw/zinc/32/55/08/294325508.db2.gz KRWMBUIPSARGMG-NIFLVVHWSA-N 2 1 302.462 3.120 20 0 DGADMP CC[C@@H](C)C[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000509405943 294350338 /nfs/dbraw/zinc/35/03/38/294350338.db2.gz FJBTZVLUVNOOQY-QGZVFWFLSA-N 2 1 303.494 3.306 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000509960084 294369897 /nfs/dbraw/zinc/36/98/97/294369897.db2.gz YVGZXVLCQMBVEM-BEFAXECRSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000510117490 294374912 /nfs/dbraw/zinc/37/49/12/294374912.db2.gz GCCKWHKZOGMTNO-HOTGVXAUSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000510117490 294374915 /nfs/dbraw/zinc/37/49/15/294374915.db2.gz GCCKWHKZOGMTNO-HOTGVXAUSA-N 2 1 304.478 3.423 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000353437999 434132701 /nfs/dbraw/zinc/13/27/01/434132701.db2.gz UHNFYKIWNGKLBF-CQSZACIVSA-N 2 1 320.477 3.017 20 0 DGADMP Fc1cccc(OCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422951411 434135031 /nfs/dbraw/zinc/13/50/31/434135031.db2.gz YLRMBCRFRXIINJ-HKUYNNGSSA-N 2 1 314.404 3.287 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000314131795 434137065 /nfs/dbraw/zinc/13/70/65/434137065.db2.gz KKDJLZVIWQGGBC-LBPRGKRZSA-N 2 1 322.250 3.466 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422958090 434139518 /nfs/dbraw/zinc/13/95/18/434139518.db2.gz ONLSKEXAUOLNIO-NSHDSACASA-N 2 1 320.234 3.416 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000353447513 434140826 /nfs/dbraw/zinc/14/08/26/434140826.db2.gz MMAPQQHCEUQMIN-ZIAGYGMSSA-N 2 1 324.490 3.450 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000353447513 434140838 /nfs/dbraw/zinc/14/08/38/434140838.db2.gz MMAPQQHCEUQMIN-ZIAGYGMSSA-N 2 1 324.490 3.450 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000340463760 434143349 /nfs/dbraw/zinc/14/33/49/434143349.db2.gz COGMBOYSADCHMC-DLBZAZTESA-N 2 1 306.498 3.008 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000340463760 434143355 /nfs/dbraw/zinc/14/33/55/434143355.db2.gz COGMBOYSADCHMC-DLBZAZTESA-N 2 1 306.498 3.008 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000422969865 434143666 /nfs/dbraw/zinc/14/36/66/434143666.db2.gz DSJRTYAYHXUNGC-WNRNVDISSA-N 2 1 319.493 3.173 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422961833 434145238 /nfs/dbraw/zinc/14/52/38/434145238.db2.gz BDYXULCFWDAMIE-LEWJYISDSA-N 2 1 323.484 3.385 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422961833 434145250 /nfs/dbraw/zinc/14/52/50/434145250.db2.gz BDYXULCFWDAMIE-LEWJYISDSA-N 2 1 323.484 3.385 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422999142 434155971 /nfs/dbraw/zinc/15/59/71/434155971.db2.gz RYNJRFNRMUYYIQ-IPMKNSEASA-N 2 1 309.542 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422999142 434155985 /nfs/dbraw/zinc/15/59/85/434155985.db2.gz RYNJRFNRMUYYIQ-IPMKNSEASA-N 3 1 309.542 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422999142 434155993 /nfs/dbraw/zinc/15/59/93/434155993.db2.gz RYNJRFNRMUYYIQ-IPMKNSEASA-N 3 1 309.542 3.255 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422997607 434156064 /nfs/dbraw/zinc/15/60/64/434156064.db2.gz ONXRSRCUDZPKHU-AKHDSKFASA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423000041 434156484 /nfs/dbraw/zinc/15/64/84/434156484.db2.gz ULQAEORLWLAAFT-ATZDWAIDSA-N 2 1 301.478 3.231 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423010207 434163712 /nfs/dbraw/zinc/16/37/12/434163712.db2.gz FWDGRXYVCUPWAB-DOTOQJQBSA-N 2 1 317.477 3.413 20 0 DGADMP O=C(CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000450429377 434174262 /nfs/dbraw/zinc/17/42/62/434174262.db2.gz LLEOKXPUEVRWAS-INIZCTEOSA-N 2 1 318.436 3.206 20 0 DGADMP O=C(CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000450429377 434174270 /nfs/dbraw/zinc/17/42/70/434174270.db2.gz LLEOKXPUEVRWAS-INIZCTEOSA-N 2 1 318.436 3.206 20 0 DGADMP C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1c[nH+]ccc1N ZINC000423046726 434188223 /nfs/dbraw/zinc/18/82/23/434188223.db2.gz FCJNOUVCXRDPMY-LBPRGKRZSA-N 2 1 312.392 3.018 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000353510916 434190568 /nfs/dbraw/zinc/19/05/68/434190568.db2.gz AMXPQYUWVUEOJM-FPMFFAJLSA-N 2 1 310.463 3.058 20 0 DGADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1c[nH+]ccc1N ZINC000423065826 434199769 /nfs/dbraw/zinc/19/97/69/434199769.db2.gz VGFUHGCNZUBMPG-FZMZJTMJSA-N 2 1 309.335 3.491 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000353531804 434204099 /nfs/dbraw/zinc/20/40/99/434204099.db2.gz PIAUXEBPODVNQT-ZQIUZPCESA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000353531804 434204105 /nfs/dbraw/zinc/20/41/05/434204105.db2.gz PIAUXEBPODVNQT-ZQIUZPCESA-N 2 1 320.477 3.016 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000317428711 434206750 /nfs/dbraw/zinc/20/67/50/434206750.db2.gz PFPFEIUZBFQXJG-KURKYZTESA-N 2 1 300.446 3.289 20 0 DGADMP c1ccc([C@@H]2C[C@H](NC[C@H]3CCCC[N@H+]3C3CC3)CC[NH2+]2)cc1 ZINC000423080650 434208351 /nfs/dbraw/zinc/20/83/51/434208351.db2.gz ZRFCCPZIAQJIKH-RLLQIKCJSA-N 2 1 313.489 3.086 20 0 DGADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423081507 434209030 /nfs/dbraw/zinc/20/90/30/434209030.db2.gz VBCSHDZGUFDCKC-KQLYMOGASA-N 2 1 324.468 3.351 20 0 DGADMP COC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000423148248 434247503 /nfs/dbraw/zinc/24/75/03/434247503.db2.gz FOCCXRSRXONIOV-OCCSQVGLSA-N 2 1 319.836 3.228 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000353580738 434248763 /nfs/dbraw/zinc/24/87/63/434248763.db2.gz XNCUMWRDEWVEEX-LMMKCTJWSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@H]([NH2+]CCc1cccc(Br)c1)c1c[nH+]ccc1N ZINC000423157576 434252542 /nfs/dbraw/zinc/25/25/42/434252542.db2.gz BEURMXNNUHJUAB-NSHDSACASA-N 2 1 320.234 3.150 20 0 DGADMP C[C@H](CC[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379638615 434257067 /nfs/dbraw/zinc/25/70/67/434257067.db2.gz URERSDLNODSCNT-AEFFLSMTSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657654 434257245 /nfs/dbraw/zinc/25/72/45/434257245.db2.gz UFGZUPDIDYDVHV-DYESRHJHSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657654 434257254 /nfs/dbraw/zinc/25/72/54/434257254.db2.gz UFGZUPDIDYDVHV-DYESRHJHSA-N 2 1 324.468 3.322 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423162833 434259255 /nfs/dbraw/zinc/25/92/55/434259255.db2.gz QIXQCTOXYDQFRO-FVVUREQNSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379623312 434260019 /nfs/dbraw/zinc/26/00/19/434260019.db2.gz IDRRFQDZJWNLRL-LMMKCTJWSA-N 3 1 303.494 3.147 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379623312 434260028 /nfs/dbraw/zinc/26/00/28/434260028.db2.gz IDRRFQDZJWNLRL-LMMKCTJWSA-N 3 1 303.494 3.147 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379625341 434260409 /nfs/dbraw/zinc/26/04/09/434260409.db2.gz KUVYSIQGHMVOPO-NEWSRXKRSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379625341 434260417 /nfs/dbraw/zinc/26/04/17/434260417.db2.gz KUVYSIQGHMVOPO-NEWSRXKRSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@H](CCN[C@@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625155 434260506 /nfs/dbraw/zinc/26/05/06/434260506.db2.gz FLJPYEQRJFOJSD-BHIYHBOVSA-N 2 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379625155 434260511 /nfs/dbraw/zinc/26/05/11/434260511.db2.gz FLJPYEQRJFOJSD-BHIYHBOVSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379625155 434260519 /nfs/dbraw/zinc/26/05/19/434260519.db2.gz FLJPYEQRJFOJSD-BHIYHBOVSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657657 434261221 /nfs/dbraw/zinc/26/12/21/434261221.db2.gz UFGZUPDIDYDVHV-UTKZUKDTSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657657 434261226 /nfs/dbraw/zinc/26/12/26/434261226.db2.gz UFGZUPDIDYDVHV-UTKZUKDTSA-N 2 1 324.468 3.322 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1Cl ZINC000423167246 434263277 /nfs/dbraw/zinc/26/32/77/434263277.db2.gz DXGQZSFYGFMIEI-BDAKNGLRSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423185275 434269827 /nfs/dbraw/zinc/26/98/27/434269827.db2.gz UYMIYJCVFFFFLZ-CYBMUJFWSA-N 2 1 315.461 3.229 20 0 DGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188542 434272130 /nfs/dbraw/zinc/27/21/30/434272130.db2.gz NZJRAQDNCMMEHP-HXUWFJFHSA-N 2 1 311.473 3.418 20 0 DGADMP COC(C)(C)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381907949 434275408 /nfs/dbraw/zinc/27/54/08/434275408.db2.gz JFUZABBUHMDSIU-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381907949 434275418 /nfs/dbraw/zinc/27/54/18/434275418.db2.gz JFUZABBUHMDSIU-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP COC(C)(C)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381907949 434275422 /nfs/dbraw/zinc/27/54/22/434275422.db2.gz JFUZABBUHMDSIU-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP [O-]c1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000295246492 434276766 /nfs/dbraw/zinc/27/67/66/434276766.db2.gz FLOWYHZSGQDUIL-CQSZACIVSA-N 2 1 308.853 3.353 20 0 DGADMP C[C@](CO)(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423111572 434221710 /nfs/dbraw/zinc/22/17/10/434221710.db2.gz QPOWTFPVGQKAOB-PWRODBHTSA-N 2 1 324.468 3.020 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000423106891 434225909 /nfs/dbraw/zinc/22/59/09/434225909.db2.gz ROOFGUMVZPQWTK-ZWKOTPCHSA-N 2 1 307.526 3.010 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423119048 434227654 /nfs/dbraw/zinc/22/76/54/434227654.db2.gz CXVTUMULUUUYOJ-NVXWUHKLSA-N 2 1 319.493 3.374 20 0 DGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423118353 434228319 /nfs/dbraw/zinc/22/83/19/434228319.db2.gz ADSBNJNSXZOUON-LKFCYVNXSA-N 2 1 322.321 3.461 20 0 DGADMP Cc1nccn1CC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000346251570 434235828 /nfs/dbraw/zinc/23/58/28/434235828.db2.gz KZRCYLHVUCEBHN-OAHLLOKOSA-N 2 1 319.836 3.388 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c2)cn1 ZINC000353624642 434279469 /nfs/dbraw/zinc/27/94/69/434279469.db2.gz UHOUVDSMQXPLNM-UFYCRDLUSA-N 2 1 324.472 3.050 20 0 DGADMP c1ccc(OCCCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000340673660 434283823 /nfs/dbraw/zinc/28/38/23/434283823.db2.gz KDNWNKWNMGGSSH-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423211761 434286577 /nfs/dbraw/zinc/28/65/77/434286577.db2.gz YUNJKUDBMCEJNZ-AEFFLSMTSA-N 2 1 302.462 3.304 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000383810155 434286912 /nfs/dbraw/zinc/28/69/12/434286912.db2.gz DZVVKGHRFFUEMA-UHFFFAOYSA-N 2 1 316.276 3.349 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000450605009 434288484 /nfs/dbraw/zinc/28/84/84/434288484.db2.gz YCUOLAGWADXUDH-FHLIZLRMSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000450605009 434288498 /nfs/dbraw/zinc/28/84/98/434288498.db2.gz YCUOLAGWADXUDH-FHLIZLRMSA-N 2 1 322.880 3.332 20 0 DGADMP C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000340690843 434303377 /nfs/dbraw/zinc/30/33/77/434303377.db2.gz MUBPUPGOFRTJTF-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000340690843 434303383 /nfs/dbraw/zinc/30/33/83/434303383.db2.gz MUBPUPGOFRTJTF-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000423240667 434304337 /nfs/dbraw/zinc/30/43/37/434304337.db2.gz KVWOAWCTHJWWQE-OHDICMOHSA-N 2 1 303.494 3.128 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000353656639 434308364 /nfs/dbraw/zinc/30/83/64/434308364.db2.gz LSBIGQGDRMALIH-IBGZPJMESA-N 2 1 301.478 3.273 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415036 434310522 /nfs/dbraw/zinc/31/05/22/434310522.db2.gz XACNAWUGZHFPPS-QFBILLFUSA-N 2 1 312.461 3.066 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415036 434310534 /nfs/dbraw/zinc/31/05/34/434310534.db2.gz XACNAWUGZHFPPS-QFBILLFUSA-N 2 1 312.461 3.066 20 0 DGADMP C[C@@H]1C[C@H](NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383607 434321463 /nfs/dbraw/zinc/32/14/63/434321463.db2.gz JLGBPRFACVOOOU-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383607 434321469 /nfs/dbraw/zinc/32/14/69/434321469.db2.gz JLGBPRFACVOOOU-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383607 434321477 /nfs/dbraw/zinc/32/14/77/434321477.db2.gz JLGBPRFACVOOOU-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383607 434321490 /nfs/dbraw/zinc/32/14/90/434321490.db2.gz JLGBPRFACVOOOU-IEBWSBKVSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423264616 434322078 /nfs/dbraw/zinc/32/20/78/434322078.db2.gz AJQWZDAUDVLHFW-HZMBPMFUSA-N 2 1 300.418 3.432 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262215 434322184 /nfs/dbraw/zinc/32/21/84/434322184.db2.gz MAPBOTQTSAAXKC-HAGHYFMRSA-N 2 1 315.505 3.145 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000353671777 434322460 /nfs/dbraw/zinc/32/24/60/434322460.db2.gz LRHPBVRGTVFWRI-UONOGXRCSA-N 2 1 324.490 3.450 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000388237447 434330389 /nfs/dbraw/zinc/33/03/89/434330389.db2.gz ZDGQVKYOYVESPG-NCXUSEDFSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000388237447 434330397 /nfs/dbraw/zinc/33/03/97/434330397.db2.gz ZDGQVKYOYVESPG-NCXUSEDFSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000388237447 434330406 /nfs/dbraw/zinc/33/04/06/434330406.db2.gz ZDGQVKYOYVESPG-NCXUSEDFSA-N 3 1 307.526 3.151 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390590518 434361941 /nfs/dbraw/zinc/36/19/41/434361941.db2.gz RXDNLDICPFMEDG-AABGKKOBSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390590518 434361952 /nfs/dbraw/zinc/36/19/52/434361952.db2.gz RXDNLDICPFMEDG-AABGKKOBSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907016 434376091 /nfs/dbraw/zinc/37/60/91/434376091.db2.gz LPDCLUHOGIBNSH-UXHICEINSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000390907016 434376100 /nfs/dbraw/zinc/37/61/00/434376100.db2.gz LPDCLUHOGIBNSH-UXHICEINSA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390906418 434376860 /nfs/dbraw/zinc/37/68/60/434376860.db2.gz LATKFPIQORBUMU-ZRNYENFQSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000390906418 434376868 /nfs/dbraw/zinc/37/68/68/434376868.db2.gz LATKFPIQORBUMU-ZRNYENFQSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)CC[N@@H+]1C ZINC000366298027 434382723 /nfs/dbraw/zinc/38/27/23/434382723.db2.gz FOLWLTZUZQTNOB-AYOQOUSVSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)CC[N@H+]1C ZINC000366298027 434382731 /nfs/dbraw/zinc/38/27/31/434382731.db2.gz FOLWLTZUZQTNOB-AYOQOUSVSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)CC[N@@H+]1C ZINC000366298026 434384199 /nfs/dbraw/zinc/38/41/99/434384199.db2.gz FOLWLTZUZQTNOB-ATZDWAIDSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)CC[N@H+]1C ZINC000366298026 434384208 /nfs/dbraw/zinc/38/42/08/434384208.db2.gz FOLWLTZUZQTNOB-ATZDWAIDSA-N 2 1 302.462 3.227 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366300103 434384518 /nfs/dbraw/zinc/38/45/18/434384518.db2.gz QPLKLCBTVRYNAG-MOPGFXCFSA-N 2 1 315.505 3.156 20 0 DGADMP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370510 434386021 /nfs/dbraw/zinc/38/60/21/434386021.db2.gz GXGURYFNUDNLLC-CMTQZCSUSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423370510 434386034 /nfs/dbraw/zinc/38/60/34/434386034.db2.gz GXGURYFNUDNLLC-CMTQZCSUSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370510 434386042 /nfs/dbraw/zinc/38/60/42/434386042.db2.gz GXGURYFNUDNLLC-CMTQZCSUSA-N 3 1 315.505 3.160 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000423370476 434386281 /nfs/dbraw/zinc/38/62/81/434386281.db2.gz GTWBAKQALZNQRV-DFBGVHRSSA-N 2 1 316.367 3.123 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000518514811 294724094 /nfs/dbraw/zinc/72/40/94/294724094.db2.gz ZJWKMOIKEHJVSF-ZWKOTPCHSA-N 2 1 315.461 3.175 20 0 DGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423286137 434337601 /nfs/dbraw/zinc/33/76/01/434337601.db2.gz ZRKZTVPGYFCYEL-LSDHHAIUSA-N 2 1 309.251 3.153 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423284042 434337992 /nfs/dbraw/zinc/33/79/92/434337992.db2.gz YBTRFNPHHVTRNH-VHSXEESVSA-N 2 1 303.219 3.094 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000423285236 434339249 /nfs/dbraw/zinc/33/92/49/434339249.db2.gz ZGJSINQSEDEGNW-NXEZZACHSA-N 2 1 303.219 3.094 20 0 DGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423280230 434340768 /nfs/dbraw/zinc/34/07/68/434340768.db2.gz SMYUZXQBVHABBX-HUUCEWRRSA-N 2 1 309.251 3.153 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293770 434343669 /nfs/dbraw/zinc/34/36/69/434343669.db2.gz ASCVCLWBOKHNHM-BHIYHBOVSA-N 2 1 303.494 3.004 20 0 DGADMP Cc1nocc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000295406987 434347711 /nfs/dbraw/zinc/34/77/11/434347711.db2.gz RGUSPLBBKKWBQA-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423296336 434348428 /nfs/dbraw/zinc/34/84/28/434348428.db2.gz GQSPEFUSYLGQQM-QGTPRVQTSA-N 2 1 308.441 3.401 20 0 DGADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000417320639 434354077 /nfs/dbraw/zinc/35/40/77/434354077.db2.gz KDZQJBSPPMRPAZ-ZWKOTPCHSA-N 2 1 309.542 3.209 20 0 DGADMP CCC(CC)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390623831 434359773 /nfs/dbraw/zinc/35/97/73/434359773.db2.gz CSLKKVUPQBTMLT-LJQANCHMSA-N 2 1 304.478 3.303 20 0 DGADMP CCC(CC)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390623831 434359780 /nfs/dbraw/zinc/35/97/80/434359780.db2.gz CSLKKVUPQBTMLT-LJQANCHMSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423480462 434446850 /nfs/dbraw/zinc/44/68/50/434446850.db2.gz NHVALSMYZIZQFM-QAPCUYQASA-N 3 1 312.461 3.364 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc2c(s1)CCCC2 ZINC000423388205 434398367 /nfs/dbraw/zinc/39/83/67/434398367.db2.gz NGHQVSFGCKTCAU-LBPRGKRZSA-N 2 1 313.470 3.476 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752303 434400660 /nfs/dbraw/zinc/40/06/60/434400660.db2.gz RZROOEOSIRHDQC-RDJZCZTQSA-N 2 1 318.461 3.153 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000394419279 434402693 /nfs/dbraw/zinc/40/26/93/434402693.db2.gz FYXWQHCFMYZFCT-FPOVZHCZSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000394419279 434402701 /nfs/dbraw/zinc/40/27/01/434402701.db2.gz FYXWQHCFMYZFCT-FPOVZHCZSA-N 2 1 322.452 3.449 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C[N@H+]1C1CC1 ZINC000423391327 434403072 /nfs/dbraw/zinc/40/30/72/434403072.db2.gz KUOHHJHRWFMYNY-HEFCMCLBSA-N 2 1 309.457 3.054 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394412730 434403910 /nfs/dbraw/zinc/40/39/10/434403910.db2.gz ISZSXOQJULZZFV-APWZRJJASA-N 2 1 310.441 3.435 20 0 DGADMP CC(C)Oc1ccc2[nH+]ccc(N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000450777113 434404741 /nfs/dbraw/zinc/40/47/41/434404741.db2.gz IUNHPZPGHXSYAA-IFXJQAMLSA-N 2 1 311.429 3.162 20 0 DGADMP CC[N@H+]1CC[C@H](CN[C@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626635 434411540 /nfs/dbraw/zinc/41/15/40/434411540.db2.gz KBCWUJGPXDVNHW-IUODEOHRSA-N 2 1 314.832 3.098 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000395253501 434412824 /nfs/dbraw/zinc/41/28/24/434412824.db2.gz ZMXWXECMPQPAEW-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395141100 434414909 /nfs/dbraw/zinc/41/49/09/434414909.db2.gz HKYXVCPMKUNVJP-DFQSSKMNSA-N 2 1 315.505 3.019 20 0 DGADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccs1 ZINC000423422306 434416002 /nfs/dbraw/zinc/41/60/02/434416002.db2.gz CMPXTHUIKRFHTR-UICACZKSSA-N 2 1 318.873 3.493 20 0 DGADMP Clc1ccc(C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423441069 434423342 /nfs/dbraw/zinc/42/33/42/434423342.db2.gz UCXCODONGCBOIB-HCXYKTFWSA-N 2 1 312.844 3.431 20 0 DGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423441078 434423940 /nfs/dbraw/zinc/42/39/40/434423940.db2.gz UDQBPCNLTLRUGB-FWYOQMDTSA-N 2 1 313.470 3.295 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)on2)cc1 ZINC000397394955 434435108 /nfs/dbraw/zinc/43/51/08/434435108.db2.gz FVHGFADTNVUMKZ-ZOBUZTSGSA-N 2 1 313.445 3.455 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423464208 434437753 /nfs/dbraw/zinc/43/77/53/434437753.db2.gz LYBPCAZKSIBKBK-KBMXLJTQSA-N 2 1 324.440 3.162 20 0 DGADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000397493830 434438601 /nfs/dbraw/zinc/43/86/01/434438601.db2.gz NVZVEVJMVDZXEZ-XLIONFOSSA-N 2 1 315.505 3.019 20 0 DGADMP CC[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423474578 434439128 /nfs/dbraw/zinc/43/91/28/434439128.db2.gz RIMCXXVUUXEKJC-IYWMVGAKSA-N 2 1 315.505 3.004 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000359838513 434440063 /nfs/dbraw/zinc/44/00/63/434440063.db2.gz CHCPZXJMKJVFJG-UHFFFAOYSA-N 2 1 310.511 3.181 20 0 DGADMP C[C@H](N[C@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496492 434461198 /nfs/dbraw/zinc/46/11/98/434461198.db2.gz FAGLIUZFGAPUCR-PWIZWCRZSA-N 2 1 315.505 3.004 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC000295976001 434463622 /nfs/dbraw/zinc/46/36/22/434463622.db2.gz OHNPNGZBDPMPTF-AQDPXUSMSA-N 2 1 314.473 3.231 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423512896 434465026 /nfs/dbraw/zinc/46/50/26/434465026.db2.gz LEEZLXXQGMPMCC-IUODEOHRSA-N 2 1 317.260 3.413 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423517954 434472565 /nfs/dbraw/zinc/47/25/65/434472565.db2.gz UTQFGFMKXOSOCV-LHQJTOJGSA-N 3 1 315.505 3.147 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H](C)C1 ZINC000348756884 434476821 /nfs/dbraw/zinc/47/68/21/434476821.db2.gz QZCQDUKFUOURRK-PPWQZUPISA-N 2 1 322.415 3.054 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000353850348 434477837 /nfs/dbraw/zinc/47/78/37/434477837.db2.gz WCTHWNDCRAILTG-DYVFJYSZSA-N 2 1 304.413 3.349 20 0 DGADMP CO[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360027772 434482076 /nfs/dbraw/zinc/48/20/76/434482076.db2.gz OOJMWRWAORVOIN-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360027772 434482081 /nfs/dbraw/zinc/48/20/81/434482081.db2.gz OOJMWRWAORVOIN-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360027772 434482087 /nfs/dbraw/zinc/48/20/87/434482087.db2.gz OOJMWRWAORVOIN-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360027774 434482660 /nfs/dbraw/zinc/48/26/60/434482660.db2.gz OOJMWRWAORVOIN-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360027774 434482671 /nfs/dbraw/zinc/48/26/71/434482671.db2.gz OOJMWRWAORVOIN-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360027774 434482680 /nfs/dbraw/zinc/48/26/80/434482680.db2.gz OOJMWRWAORVOIN-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401875953 434497986 /nfs/dbraw/zinc/49/79/86/434497986.db2.gz FCMNCLKKSWGYOV-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844868 434498156 /nfs/dbraw/zinc/49/81/56/434498156.db2.gz UGTGICGRTMTPGO-NXHRZFHOSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844868 434498164 /nfs/dbraw/zinc/49/81/64/434498164.db2.gz UGTGICGRTMTPGO-NXHRZFHOSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000398108207 434453460 /nfs/dbraw/zinc/45/34/60/434453460.db2.gz CCNRBPZXIUJLBC-BPQIPLTHSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000398108207 434453468 /nfs/dbraw/zinc/45/34/68/434453468.db2.gz CCNRBPZXIUJLBC-BPQIPLTHSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000366770792 434508609 /nfs/dbraw/zinc/50/86/09/434508609.db2.gz GHBPIPYAHNFOOP-OAHLLOKOSA-N 2 1 307.869 3.399 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000366770792 434508616 /nfs/dbraw/zinc/50/86/16/434508616.db2.gz GHBPIPYAHNFOOP-OAHLLOKOSA-N 2 1 307.869 3.399 20 0 DGADMP Cc1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493047 434515148 /nfs/dbraw/zinc/51/51/48/434515148.db2.gz XGCREKADRZPEJX-DOTOQJQBSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404493047 434515154 /nfs/dbraw/zinc/51/51/54/434515154.db2.gz XGCREKADRZPEJX-DOTOQJQBSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404493047 434515160 /nfs/dbraw/zinc/51/51/60/434515160.db2.gz XGCREKADRZPEJX-DOTOQJQBSA-N 2 1 315.486 3.452 20 0 DGADMP CCn1cncc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000417901071 434546678 /nfs/dbraw/zinc/54/66/78/434546678.db2.gz VHPQFOHTZBWYCY-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527810767 295135177 /nfs/dbraw/zinc/13/51/77/295135177.db2.gz PQSRCLMHNLSWMP-HXUWFJFHSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC12CC2 ZINC000527853708 295140843 /nfs/dbraw/zinc/14/08/43/295140843.db2.gz QQKFTRIVMWZRAP-GJYPPUQNSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC12CC2 ZINC000527853708 295140845 /nfs/dbraw/zinc/14/08/45/295140845.db2.gz QQKFTRIVMWZRAP-GJYPPUQNSA-N 2 1 314.473 3.186 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CC34CC4)CC2)oc1C ZINC000527864883 295142424 /nfs/dbraw/zinc/14/24/24/295142424.db2.gz UDUJCHMVPQSIMI-RHSMWYFYSA-N 2 1 317.477 3.282 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CC34CC4)CC2)oc1C ZINC000527864887 295142445 /nfs/dbraw/zinc/14/24/45/295142445.db2.gz UDUJCHMVPQSIMI-WMLDXEAASA-N 2 1 317.477 3.282 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)c1OC ZINC000423182587 295207128 /nfs/dbraw/zinc/20/71/28/295207128.db2.gz QLAHELALLQKWCK-CQSZACIVSA-N 2 1 306.450 3.324 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000354034428 434587630 /nfs/dbraw/zinc/58/76/30/434587630.db2.gz QYWZKOWWYWABML-MRXNPFEDSA-N 2 1 320.339 3.336 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1 ZINC000420295224 295241549 /nfs/dbraw/zinc/24/15/49/295241549.db2.gz BYOZBTPYNXFPEI-MYZZLAAOSA-N 2 1 302.462 3.391 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1(C(=O)OC)CCC1 ZINC000354030043 434588009 /nfs/dbraw/zinc/58/80/09/434588009.db2.gz RICCMLHKBDCNCR-DLBZAZTESA-N 2 1 324.509 3.066 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000354034605 434588477 /nfs/dbraw/zinc/58/84/77/434588477.db2.gz SQSONDHBLAWHEX-WLPBJKJWSA-N 2 1 310.397 3.257 20 0 DGADMP COc1ccccc1/C=C\CN1CC[C@@H](Oc2ccncc2)C1 ZINC000354034605 434588482 /nfs/dbraw/zinc/58/84/82/434588482.db2.gz SQSONDHBLAWHEX-WLPBJKJWSA-N 2 1 310.397 3.257 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCCS2 ZINC000425946635 295275086 /nfs/dbraw/zinc/27/50/86/295275086.db2.gz WWHWYTIMDKAIBY-XJKSGUPXSA-N 2 1 308.491 3.410 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000414180547 295300676 /nfs/dbraw/zinc/30/06/76/295300676.db2.gz LMONVRNDWLUVMI-OXQOHEQNSA-N 2 1 316.489 3.338 20 0 DGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414744332 295319386 /nfs/dbraw/zinc/31/93/86/295319386.db2.gz PKCIGNVKLPANTE-RCJHGTSTSA-N 2 1 302.462 3.466 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422735639 295333043 /nfs/dbraw/zinc/33/30/43/295333043.db2.gz WLLHBXUIPGRCMN-KBPBESRZSA-N 2 1 316.367 3.377 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087452 434613188 /nfs/dbraw/zinc/61/31/88/434613188.db2.gz AOCZIDLCBMZYGA-INIZCTEOSA-N 2 1 306.498 3.029 20 0 DGADMP Cc1ncc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1-c1ccccc1 ZINC000459745908 434692124 /nfs/dbraw/zinc/69/21/24/434692124.db2.gz YUZOCSBZZZMTDR-KRWDZBQOSA-N 2 1 312.461 3.002 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000459746116 434693928 /nfs/dbraw/zinc/69/39/28/434693928.db2.gz YZJJSPADLQTQJK-OAHLLOKOSA-N 2 1 312.404 3.152 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H]1C ZINC000354156717 434646293 /nfs/dbraw/zinc/64/62/93/434646293.db2.gz BGURULANXQNSHZ-WSRJKRBPSA-N 2 1 324.509 3.064 20 0 DGADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc2cccnc12 ZINC000354168447 434653036 /nfs/dbraw/zinc/65/30/36/434653036.db2.gz XSPBXSHLTIEDRD-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc2cccnc12 ZINC000354168447 434653044 /nfs/dbraw/zinc/65/30/44/434653044.db2.gz XSPBXSHLTIEDRD-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc2cccnc12 ZINC000354168447 434653052 /nfs/dbraw/zinc/65/30/52/434653052.db2.gz XSPBXSHLTIEDRD-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179079 434656052 /nfs/dbraw/zinc/65/60/52/434656052.db2.gz ZLTLEZWGYRLFCE-FQEVSTJZSA-N 2 1 314.473 3.393 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179079 434656057 /nfs/dbraw/zinc/65/60/57/434656057.db2.gz ZLTLEZWGYRLFCE-FQEVSTJZSA-N 2 1 314.473 3.393 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179079 434656060 /nfs/dbraw/zinc/65/60/60/434656060.db2.gz ZLTLEZWGYRLFCE-FQEVSTJZSA-N 2 1 314.473 3.393 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000354179079 434656065 /nfs/dbraw/zinc/65/60/65/434656065.db2.gz ZLTLEZWGYRLFCE-FQEVSTJZSA-N 2 1 314.473 3.393 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424241991 434662989 /nfs/dbraw/zinc/66/29/89/434662989.db2.gz OLRSSAJFGGUFHS-SFHVURJKSA-N 2 1 311.429 3.085 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424241991 434662994 /nfs/dbraw/zinc/66/29/94/434662994.db2.gz OLRSSAJFGGUFHS-SFHVURJKSA-N 2 1 311.429 3.085 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@@H]1C ZINC000354201302 434667878 /nfs/dbraw/zinc/66/78/78/434667878.db2.gz YEDPPLGBOAHZTH-YVSFHVDLSA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H]1C ZINC000354201302 434667884 /nfs/dbraw/zinc/66/78/84/434667884.db2.gz YEDPPLGBOAHZTH-YVSFHVDLSA-N 2 1 324.509 3.064 20 0 DGADMP Cc1ccc(CCC[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000354212077 434671308 /nfs/dbraw/zinc/67/13/08/434671308.db2.gz OYMSJBUMUSPEFS-MRXNPFEDSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccc(CCC[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000354212077 434671317 /nfs/dbraw/zinc/67/13/17/434671317.db2.gz OYMSJBUMUSPEFS-MRXNPFEDSA-N 2 1 303.494 3.423 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000459713460 434674108 /nfs/dbraw/zinc/67/41/08/434674108.db2.gz NYJAXOLEKKVGNH-RTBURBONSA-N 2 1 316.489 3.127 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2Br)C1 ZINC000459723828 434675338 /nfs/dbraw/zinc/67/53/38/434675338.db2.gz DAHYOMBFLDTHQR-CYBMUJFWSA-N 2 1 311.267 3.271 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225017 434676106 /nfs/dbraw/zinc/67/61/06/434676106.db2.gz PSJXEQISEBZULB-XJKSGUPXSA-N 2 1 323.868 3.083 20 0 DGADMP C[N@@H+](CCc1ccccc1)C1CCN(Cc2ccncc2)CC1 ZINC000371351011 434676617 /nfs/dbraw/zinc/67/66/17/434676617.db2.gz BPWAMCIRTLJBHT-UHFFFAOYSA-N 2 1 309.457 3.221 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459724416 434677948 /nfs/dbraw/zinc/67/79/48/434677948.db2.gz DKPFFOGVOBYVJQ-QFBILLFUSA-N 2 1 322.468 3.095 20 0 DGADMP Cc1ccccc1OCCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287142 434678271 /nfs/dbraw/zinc/67/82/71/434678271.db2.gz IQRNIZNUQKTEOO-KRWDZBQOSA-N 2 1 302.462 3.228 20 0 DGADMP COc1cccc(CCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424283693 434678408 /nfs/dbraw/zinc/67/84/08/434678408.db2.gz BNLVAEBADTWFMS-INIZCTEOSA-N 2 1 302.462 3.092 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225014 434679043 /nfs/dbraw/zinc/67/90/43/434679043.db2.gz PSJXEQISEBZULB-BBRMVZONSA-N 2 1 323.868 3.083 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224357 434679390 /nfs/dbraw/zinc/67/93/90/434679390.db2.gz NQEIBRJFOBPJGE-RDJZCZTQSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-c3ccccc3)on1)CC[NH2+]CC2 ZINC000424289742 434680302 /nfs/dbraw/zinc/68/03/02/434680302.db2.gz MLCAHUYPXBNGNQ-OAHLLOKOSA-N 2 1 311.429 3.306 20 0 DGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC(C)C ZINC000459729418 434680353 /nfs/dbraw/zinc/68/03/53/434680353.db2.gz JHMDWTFHWSSOBK-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729739 434681616 /nfs/dbraw/zinc/68/16/16/434681616.db2.gz DNTUNFYHYPBXKK-SJLPKXTDSA-N 2 1 304.478 3.338 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459731980 434682635 /nfs/dbraw/zinc/68/26/35/434682635.db2.gz LQOBXTBFYVAAFF-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000459732009 434684364 /nfs/dbraw/zinc/68/43/64/434684364.db2.gz LTTNKNQLFOZWNE-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459738779 434688882 /nfs/dbraw/zinc/68/88/82/434688882.db2.gz JKDNZIITUHCMMR-LULLPPNCSA-N 2 1 302.462 3.054 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(-n2cccn2)cc1 ZINC000349363083 434691047 /nfs/dbraw/zinc/69/10/47/434691047.db2.gz DVPWVFODGIUECU-UHFFFAOYSA-N 2 1 314.477 3.426 20 0 DGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000360976428 434752655 /nfs/dbraw/zinc/75/26/55/434752655.db2.gz YHAMSWPPXINLLP-HZPDHXFCSA-N 2 1 306.498 3.230 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1C ZINC000349387085 434701781 /nfs/dbraw/zinc/70/17/81/434701781.db2.gz UQUFFPGIFLZXFA-UHFFFAOYSA-N 2 1 308.466 3.176 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000424387565 434716557 /nfs/dbraw/zinc/71/65/57/434716557.db2.gz YLPVLRMDKHRMLJ-HZPDHXFCSA-N 2 1 306.450 3.234 20 0 DGADMP Clc1sccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424382798 434717269 /nfs/dbraw/zinc/71/72/69/434717269.db2.gz SUCQLAKGUGPOOT-UHFFFAOYSA-N 2 1 322.865 3.038 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000360939561 434737630 /nfs/dbraw/zinc/73/76/30/434737630.db2.gz BFUFFGZEXRQYMR-LBPRGKRZSA-N 2 1 309.360 3.452 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000360944183 434739844 /nfs/dbraw/zinc/73/98/44/434739844.db2.gz ZIWBFVFIOPKPSE-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000360944183 434739851 /nfs/dbraw/zinc/73/98/51/434739851.db2.gz ZIWBFVFIOPKPSE-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000411193693 434741846 /nfs/dbraw/zinc/74/18/46/434741846.db2.gz STJUHJJLKXQQSO-WOJBJXKFSA-N 2 1 314.473 3.426 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000411193693 434741851 /nfs/dbraw/zinc/74/18/51/434741851.db2.gz STJUHJJLKXQQSO-WOJBJXKFSA-N 2 1 314.473 3.426 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411343786 434765486 /nfs/dbraw/zinc/76/54/86/434765486.db2.gz HPYSTXODSVFICA-KRWDZBQOSA-N 2 1 308.510 3.268 20 0 DGADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442875246 434772273 /nfs/dbraw/zinc/77/22/73/434772273.db2.gz NPCZFRCBWCOPSE-ZWKOTPCHSA-N 2 1 309.542 3.207 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1)CC1CC1 ZINC000411429810 434777403 /nfs/dbraw/zinc/77/74/03/434777403.db2.gz MZBOCAUMXXVKOT-AWEZNQCLSA-N 2 1 319.497 3.008 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1)CC1CC1 ZINC000411429810 434777407 /nfs/dbraw/zinc/77/74/07/434777407.db2.gz MZBOCAUMXXVKOT-AWEZNQCLSA-N 2 1 319.497 3.008 20 0 DGADMP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443436715 434777883 /nfs/dbraw/zinc/77/78/83/434777883.db2.gz ATTVUZGFTUYZKG-NSHDSACASA-N 2 1 320.234 3.138 20 0 DGADMP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443436715 434777888 /nfs/dbraw/zinc/77/78/88/434777888.db2.gz ATTVUZGFTUYZKG-NSHDSACASA-N 2 1 320.234 3.138 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414685644 297248918 /nfs/dbraw/zinc/24/89/18/297248918.db2.gz DCJOEZAXCZEEQZ-NZSAHSFTSA-N 2 1 302.462 3.056 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000453059286 434786766 /nfs/dbraw/zinc/78/67/66/434786766.db2.gz MLLJDGMXROAKFA-MRXNPFEDSA-N 2 1 309.523 3.125 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1)CC(C)C ZINC000411452767 434783144 /nfs/dbraw/zinc/78/31/44/434783144.db2.gz WCPIERRAWJWVSL-HNNXBMFYSA-N 2 1 321.513 3.254 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1)CC(C)C ZINC000411452767 434783148 /nfs/dbraw/zinc/78/31/48/434783148.db2.gz WCPIERRAWJWVSL-HNNXBMFYSA-N 2 1 321.513 3.254 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000361108165 434800127 /nfs/dbraw/zinc/80/01/27/434800127.db2.gz JPCVUDYQPKKNNW-WMZOPIPTSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000361108165 434800130 /nfs/dbraw/zinc/80/01/30/434800130.db2.gz JPCVUDYQPKKNNW-WMZOPIPTSA-N 2 1 304.478 3.474 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453085725 434796179 /nfs/dbraw/zinc/79/61/79/434796179.db2.gz NFYXOKMGBPLYKP-ROUUACIJSA-N 2 1 322.880 3.114 20 0 DGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1O ZINC000411606672 434805860 /nfs/dbraw/zinc/80/58/60/434805860.db2.gz JAYVNHILZQUBNF-LJQANCHMSA-N 2 1 316.489 3.265 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453132242 434811552 /nfs/dbraw/zinc/81/15/52/434811552.db2.gz XWKMCRRRGWMVPZ-HAGHYFMRSA-N 2 1 316.489 3.180 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453136472 434813653 /nfs/dbraw/zinc/81/36/53/434813653.db2.gz XFIGXUJPQMQZPF-WTGUMLROSA-N 2 1 316.489 3.180 20 0 DGADMP c1cc(C[N@@H+]2CCOCC23CC3)ccc1C[NH+]1CCCCC1 ZINC000411694230 434818621 /nfs/dbraw/zinc/81/86/21/434818621.db2.gz NBTVLSCTJFEIMH-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP c1cc(C[N@H+]2CCOCC23CC3)ccc1C[NH+]1CCCCC1 ZINC000411694230 434818626 /nfs/dbraw/zinc/81/86/26/434818626.db2.gz NBTVLSCTJFEIMH-UHFFFAOYSA-N 2 1 300.446 3.037 20 0 DGADMP CC[C@H](C)[N@@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411734842 434822600 /nfs/dbraw/zinc/82/26/00/434822600.db2.gz BNFNPPJHCCWFHI-KRWDZBQOSA-N 2 1 304.478 3.265 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453187816 434825837 /nfs/dbraw/zinc/82/58/37/434825837.db2.gz AODWSBBDOIFCPA-UFHDJZAFSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccn(C)n1 ZINC000411823268 434832707 /nfs/dbraw/zinc/83/27/07/434832707.db2.gz PPBFJUULWGHQJB-MRXNPFEDSA-N 2 1 312.461 3.257 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000521460949 434885725 /nfs/dbraw/zinc/88/57/25/434885725.db2.gz QGTGZAHURAMIKY-UXLLHSPISA-N 2 1 317.477 3.394 20 0 DGADMP C[NH+](C)Cc1ccccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000521714127 434892141 /nfs/dbraw/zinc/89/21/41/434892141.db2.gz JERPEOGHSVJPFW-UHFFFAOYSA-N 2 1 317.477 3.341 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000521862478 434898647 /nfs/dbraw/zinc/89/86/47/434898647.db2.gz BRUUXPFVMDIONX-UYAOXDASSA-N 2 1 318.505 3.224 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000462113477 434901066 /nfs/dbraw/zinc/90/10/66/434901066.db2.gz WWLJFDXFCBWKOD-HKUYNNGSSA-N 3 1 309.542 3.351 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000522014711 434907571 /nfs/dbraw/zinc/90/75/71/434907571.db2.gz WXHQNOJBCPPOGR-CVEARBPZSA-N 2 1 315.486 3.288 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000573016289 434868739 /nfs/dbraw/zinc/86/87/39/434868739.db2.gz MXEKPZCGANDCJG-UHFFFAOYSA-N 2 1 313.445 3.034 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000552893123 434873380 /nfs/dbraw/zinc/87/33/80/434873380.db2.gz MMDGNEQYNIGVGH-IUODEOHRSA-N 2 1 316.367 3.014 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463127363 434946474 /nfs/dbraw/zinc/94/64/74/434946474.db2.gz NAEGROZHUWZPPO-NEWSRXKRSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463127363 434946478 /nfs/dbraw/zinc/94/64/78/434946478.db2.gz NAEGROZHUWZPPO-NEWSRXKRSA-N 2 1 318.505 3.426 20 0 DGADMP Cc1ccc(CCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)cn1 ZINC000492272167 434947467 /nfs/dbraw/zinc/94/74/67/434947467.db2.gz ASFVPLHKDNMQKS-HNNXBMFYSA-N 2 1 321.465 3.168 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890906 434952758 /nfs/dbraw/zinc/95/27/58/434952758.db2.gz ZSOHXFKZGFVHDJ-QUCCMNQESA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890906 434952761 /nfs/dbraw/zinc/95/27/61/434952761.db2.gz ZSOHXFKZGFVHDJ-QUCCMNQESA-N 2 1 314.473 3.392 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)C1 ZINC000554890906 434952766 /nfs/dbraw/zinc/95/27/66/434952766.db2.gz ZSOHXFKZGFVHDJ-QUCCMNQESA-N 2 1 314.473 3.392 20 0 DGADMP Cc1scc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1C ZINC000638184195 434972826 /nfs/dbraw/zinc/97/28/26/434972826.db2.gz XYBPWNRJBCFJDV-GVDBMIGSSA-N 2 1 308.491 3.048 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000573884483 434933926 /nfs/dbraw/zinc/93/39/26/434933926.db2.gz ANVXLWBDWPPBCY-HKUYNNGSSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@H](C)[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000573884483 434933928 /nfs/dbraw/zinc/93/39/28/434933928.db2.gz ANVXLWBDWPPBCY-HKUYNNGSSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@H](C)[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000573884483 434933930 /nfs/dbraw/zinc/93/39/30/434933930.db2.gz ANVXLWBDWPPBCY-HKUYNNGSSA-N 2 1 318.505 3.469 20 0 DGADMP Cc1ccccc1[C@H](C)[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000573884483 434933935 /nfs/dbraw/zinc/93/39/35/434933935.db2.gz ANVXLWBDWPPBCY-HKUYNNGSSA-N 2 1 318.505 3.469 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1F ZINC000638376366 435016685 /nfs/dbraw/zinc/01/66/85/435016685.db2.gz JVUPPUTUNSDSJV-ZFWWWQNUSA-N 2 1 317.383 3.229 20 0 DGADMP Fc1ccc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1F ZINC000638376366 435016689 /nfs/dbraw/zinc/01/66/89/435016689.db2.gz JVUPPUTUNSDSJV-ZFWWWQNUSA-N 2 1 317.383 3.229 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638380182 435018672 /nfs/dbraw/zinc/01/86/72/435018672.db2.gz VZWFMEPSGCMHBV-LJQANCHMSA-N 2 1 302.462 3.118 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc2ccc(F)c(F)c2n1)C[NH+]1CCCC1 ZINC000638386181 435019320 /nfs/dbraw/zinc/01/93/20/435019320.db2.gz LGBGWIOYAXFHFH-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638400506 435021767 /nfs/dbraw/zinc/02/17/67/435021767.db2.gz QUEPIFVPFFSMSY-HQRMLTQVSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638400506 435021771 /nfs/dbraw/zinc/02/17/71/435021771.db2.gz QUEPIFVPFFSMSY-HQRMLTQVSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC1(F)F ZINC000638421649 435027359 /nfs/dbraw/zinc/02/73/59/435027359.db2.gz XNTJEGYTCIKFQH-KEYYUXOJSA-N 2 1 324.415 3.041 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC1(F)F ZINC000638421649 435027361 /nfs/dbraw/zinc/02/73/61/435027361.db2.gz XNTJEGYTCIKFQH-KEYYUXOJSA-N 2 1 324.415 3.041 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000556094586 434996578 /nfs/dbraw/zinc/99/65/78/434996578.db2.gz XJENBUQDAVPURJ-QTMHVTGLSA-N 2 1 314.473 3.225 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000556094586 434996581 /nfs/dbraw/zinc/99/65/81/434996581.db2.gz XJENBUQDAVPURJ-QTMHVTGLSA-N 2 1 314.473 3.225 20 0 DGADMP Fc1ccc2ccc(C[NH2+]CCC[NH+]3CCCCC3)nc2c1F ZINC000638310516 435002457 /nfs/dbraw/zinc/00/24/57/435002457.db2.gz YFVXOFUYAQSWMF-UHFFFAOYSA-N 2 1 319.399 3.479 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000556311494 435002816 /nfs/dbraw/zinc/00/28/16/435002816.db2.gz CBVCVLGJPSMSHG-IBGZPJMESA-N 2 1 316.489 3.242 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC3CCCC3)CC2)C[C@H](C)O1 ZINC000525119586 435005068 /nfs/dbraw/zinc/00/50/68/435005068.db2.gz QXLDXCAOCKTHHD-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000638358816 435012873 /nfs/dbraw/zinc/01/28/73/435012873.db2.gz KLUNBGXGTZRMDM-QFBILLFUSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000638611530 435059044 /nfs/dbraw/zinc/05/90/44/435059044.db2.gz HJSDRVGGLXFSPN-QGZVFWFLSA-N 2 1 324.468 3.494 20 0 DGADMP CC(C)n1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000557694982 435063381 /nfs/dbraw/zinc/06/33/81/435063381.db2.gz XDOFBDDRGXSXAS-IEBWSBKVSA-N 2 1 312.461 3.389 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638673976 435067939 /nfs/dbraw/zinc/06/79/39/435067939.db2.gz BWAZPYWDESPALV-SFHVURJKSA-N 2 1 312.461 3.088 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]CCC[C@@H]2CCO2)C[N@H+]1Cc1ccccc1 ZINC000638795343 435089027 /nfs/dbraw/zinc/08/90/27/435089027.db2.gz BRTPPJWRFIIAGL-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP Nc1c(F)cccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000638453725 435035192 /nfs/dbraw/zinc/03/51/92/435035192.db2.gz HFTYJVPPFRSGAX-UHFFFAOYSA-N 2 1 305.441 3.152 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000556914838 435038263 /nfs/dbraw/zinc/03/82/63/435038263.db2.gz JYZAYCLOQKFICA-AABGKKOBSA-N 2 1 321.553 3.303 20 0 DGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638486419 435041727 /nfs/dbraw/zinc/04/17/27/435041727.db2.gz SKNPAJPUGPMNRX-HHXXYDBFSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638486419 435041730 /nfs/dbraw/zinc/04/17/30/435041730.db2.gz SKNPAJPUGPMNRX-HHXXYDBFSA-N 2 1 302.462 3.369 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638523939 435046352 /nfs/dbraw/zinc/04/63/52/435046352.db2.gz KMDUOAQWTLUZSC-LMMKCTJWSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638523939 435046356 /nfs/dbraw/zinc/04/63/56/435046356.db2.gz KMDUOAQWTLUZSC-LMMKCTJWSA-N 2 1 300.446 3.123 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638588481 435056327 /nfs/dbraw/zinc/05/63/27/435056327.db2.gz LWGHNYKQSJJMAT-JTQLQIEISA-N 2 1 302.249 3.007 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638588481 435056332 /nfs/dbraw/zinc/05/63/32/435056332.db2.gz LWGHNYKQSJJMAT-JTQLQIEISA-N 2 1 302.249 3.007 20 0 DGADMP Cc1ccnc(C)c1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558449443 435092419 /nfs/dbraw/zinc/09/24/19/435092419.db2.gz NUYCYEGIDJDMNM-UHFFFAOYSA-N 2 1 318.465 3.283 20 0 DGADMP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)sn1 ZINC000638851149 435103835 /nfs/dbraw/zinc/10/38/35/435103835.db2.gz XMELIOTWLNGMLH-UHFFFAOYSA-N 2 1 317.458 3.037 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677703 435109008 /nfs/dbraw/zinc/10/90/08/435109008.db2.gz QKULUIWJLFCDTI-FUHWJXTLSA-N 2 1 321.534 3.061 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000531685233 435109676 /nfs/dbraw/zinc/10/96/76/435109676.db2.gz ZZOPPETVRQVXQN-UYAOXDASSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715956 435112544 /nfs/dbraw/zinc/11/25/44/435112544.db2.gz GZKXCOWRMGUVFD-IZBJGVDFSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715956 435112546 /nfs/dbraw/zinc/11/25/46/435112546.db2.gz GZKXCOWRMGUVFD-IZBJGVDFSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715956 435112549 /nfs/dbraw/zinc/11/25/49/435112549.db2.gz GZKXCOWRMGUVFD-IZBJGVDFSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715958 435112902 /nfs/dbraw/zinc/11/29/02/435112902.db2.gz GZKXCOWRMGUVFD-LFGUQSLTSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715958 435112905 /nfs/dbraw/zinc/11/29/05/435112905.db2.gz GZKXCOWRMGUVFD-LFGUQSLTSA-N 3 1 321.553 3.349 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715958 435112908 /nfs/dbraw/zinc/11/29/08/435112908.db2.gz GZKXCOWRMGUVFD-LFGUQSLTSA-N 3 1 321.553 3.349 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000474475152 435149779 /nfs/dbraw/zinc/14/97/79/435149779.db2.gz IBKRSGDKZNOUFB-RYRKJORJSA-N 2 1 324.509 3.208 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCC[NH+]2CCCC2)cc1F ZINC000467511134 435123424 /nfs/dbraw/zinc/12/34/24/435123424.db2.gz KKNNZTRFPMOHLD-MRXNPFEDSA-N 2 1 322.468 3.431 20 0 DGADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000559312605 435127960 /nfs/dbraw/zinc/12/79/60/435127960.db2.gz XUUNLOWRVYRTPE-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000559312605 435127963 /nfs/dbraw/zinc/12/79/63/435127963.db2.gz XUUNLOWRVYRTPE-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000559312605 435127965 /nfs/dbraw/zinc/12/79/65/435127965.db2.gz XUUNLOWRVYRTPE-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000531995026 435132758 /nfs/dbraw/zinc/13/27/58/435132758.db2.gz RQONQQDQURUNKZ-FHLIZLRMSA-N 2 1 323.912 3.263 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531995026 435132764 /nfs/dbraw/zinc/13/27/64/435132764.db2.gz RQONQQDQURUNKZ-FHLIZLRMSA-N 2 1 323.912 3.263 20 0 DGADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639055941 435138389 /nfs/dbraw/zinc/13/83/89/435138389.db2.gz DTILVIRFSGCVNM-FPZMBXFESA-N 2 1 314.473 3.271 20 0 DGADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639055941 435138392 /nfs/dbraw/zinc/13/83/92/435138392.db2.gz DTILVIRFSGCVNM-FPZMBXFESA-N 2 1 314.473 3.271 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000579852671 435189135 /nfs/dbraw/zinc/18/91/35/435189135.db2.gz TUXQDXPTRMZBKB-XHDPSFHLSA-N 2 1 311.267 3.187 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493812974 435190782 /nfs/dbraw/zinc/19/07/82/435190782.db2.gz DZZVEZGQPXDJSW-KZNAEPCWSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493812974 435190787 /nfs/dbraw/zinc/19/07/87/435190787.db2.gz DZZVEZGQPXDJSW-KZNAEPCWSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493900548 435191488 /nfs/dbraw/zinc/19/14/88/435191488.db2.gz MYBHBDAVRXKBIB-MDMSPXHWSA-N 2 1 320.521 3.290 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493900548 435191491 /nfs/dbraw/zinc/19/14/91/435191491.db2.gz MYBHBDAVRXKBIB-MDMSPXHWSA-N 2 1 320.521 3.290 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000494600107 435197075 /nfs/dbraw/zinc/19/70/75/435197075.db2.gz HRDOEOSXAMCCOF-XWTMOSNGSA-N 2 1 306.494 3.044 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000494600107 435197077 /nfs/dbraw/zinc/19/70/77/435197077.db2.gz HRDOEOSXAMCCOF-XWTMOSNGSA-N 2 1 306.494 3.044 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203239 435197588 /nfs/dbraw/zinc/19/75/88/435197588.db2.gz IIBRSMHUFOHBCZ-GOSISDBHSA-N 2 1 317.383 3.041 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN(C)c2ccccc2)C[C@@H]1C ZINC000580068499 435202072 /nfs/dbraw/zinc/20/20/72/435202072.db2.gz KLVKXKOKHCMQDQ-PKOBYXMFSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN(C)c2ccccc2)C[C@@H]1C ZINC000580068499 435202075 /nfs/dbraw/zinc/20/20/75/435202075.db2.gz KLVKXKOKHCMQDQ-PKOBYXMFSA-N 2 1 303.494 3.318 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN(C)c2ccccc2)C[C@@H]1C ZINC000580068499 435202080 /nfs/dbraw/zinc/20/20/80/435202080.db2.gz KLVKXKOKHCMQDQ-PKOBYXMFSA-N 2 1 303.494 3.318 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3=CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639219700 435202271 /nfs/dbraw/zinc/20/22/71/435202271.db2.gz OYWXAQBKKBECOE-QUCCMNQESA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3=CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639219700 435202277 /nfs/dbraw/zinc/20/22/77/435202277.db2.gz OYWXAQBKKBECOE-QUCCMNQESA-N 2 1 312.457 3.291 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532249282 435151177 /nfs/dbraw/zinc/15/11/77/435151177.db2.gz USWBSPXMCZDUAO-KNCCTNLNSA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249282 435151179 /nfs/dbraw/zinc/15/11/79/435151179.db2.gz USWBSPXMCZDUAO-KNCCTNLNSA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532249282 435151184 /nfs/dbraw/zinc/15/11/84/435151184.db2.gz USWBSPXMCZDUAO-KNCCTNLNSA-N 2 1 323.912 3.261 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639105917 435155882 /nfs/dbraw/zinc/15/58/82/435155882.db2.gz JCHJVZWSHKSZEP-QWHCGFSZSA-N 2 1 321.827 3.459 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117199 435161220 /nfs/dbraw/zinc/16/12/20/435161220.db2.gz FXPGDPNYJMHETM-BEKAIBRUSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117199 435161224 /nfs/dbraw/zinc/16/12/24/435161224.db2.gz FXPGDPNYJMHETM-BEKAIBRUSA-N 2 1 314.473 3.369 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000560354313 435161857 /nfs/dbraw/zinc/16/18/57/435161857.db2.gz IVXWZPLOSGDOGY-YJBOKZPZSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1OCCc2sccc21 ZINC000579545888 435162411 /nfs/dbraw/zinc/16/24/11/435162411.db2.gz GOMODZUFEMFORY-UGSOOPFHSA-N 2 1 320.502 3.214 20 0 DGADMP Nc1c(F)cccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639119238 435163003 /nfs/dbraw/zinc/16/30/03/435163003.db2.gz WAXCDQZTIPDFSO-INIZCTEOSA-N 2 1 313.420 3.020 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000579621964 435168366 /nfs/dbraw/zinc/16/83/66/435168366.db2.gz BQZJNCAJQSBATQ-PMACEKPBSA-N 3 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000579621964 435168372 /nfs/dbraw/zinc/16/83/72/435168372.db2.gz BQZJNCAJQSBATQ-PMACEKPBSA-N 3 1 315.505 3.143 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000532479742 435169873 /nfs/dbraw/zinc/16/98/73/435169873.db2.gz OCHWVFHBNRHBRD-MAUKXSAKSA-N 2 1 304.478 3.091 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000579652330 435170673 /nfs/dbraw/zinc/17/06/73/435170673.db2.gz YERODYNZVPVZOY-BRWVUGGUSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000579652330 435170679 /nfs/dbraw/zinc/17/06/79/435170679.db2.gz YERODYNZVPVZOY-BRWVUGGUSA-N 2 1 306.498 3.156 20 0 DGADMP C[N@H+]1CCN(CC[NH2+]C2CCC(=C3CCC3)CC2)CC1(C)C ZINC000639135641 435171055 /nfs/dbraw/zinc/17/10/55/435171055.db2.gz GCPHRVXGUIVNMN-UHFFFAOYSA-N 2 1 305.510 3.025 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000532538090 435175970 /nfs/dbraw/zinc/17/59/70/435175970.db2.gz ABKRYDIBUJAKJT-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639169563 435181077 /nfs/dbraw/zinc/18/10/77/435181077.db2.gz FPDAHCKKVDCENG-CYBMUJFWSA-N 2 1 319.399 3.333 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639169563 435181081 /nfs/dbraw/zinc/18/10/81/435181081.db2.gz FPDAHCKKVDCENG-CYBMUJFWSA-N 2 1 319.399 3.333 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000560582360 435181793 /nfs/dbraw/zinc/18/17/93/435181793.db2.gz QUIHPGLOXPRUMJ-IRXDYDNUSA-N 2 1 302.462 3.017 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000560582360 435181797 /nfs/dbraw/zinc/18/17/97/435181797.db2.gz QUIHPGLOXPRUMJ-IRXDYDNUSA-N 2 1 302.462 3.017 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000639177765 435183129 /nfs/dbraw/zinc/18/31/29/435183129.db2.gz GAURRZKUDQPTET-BHIYHBOVSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000639177765 435183130 /nfs/dbraw/zinc/18/31/30/435183130.db2.gz GAURRZKUDQPTET-BHIYHBOVSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000639177765 435183133 /nfs/dbraw/zinc/18/31/33/435183133.db2.gz GAURRZKUDQPTET-BHIYHBOVSA-N 2 1 304.478 3.425 20 0 DGADMP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000639177765 435183134 /nfs/dbraw/zinc/18/31/34/435183134.db2.gz GAURRZKUDQPTET-BHIYHBOVSA-N 2 1 304.478 3.425 20 0 DGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnc(-c2ccccc2)nc1 ZINC000532650523 435183286 /nfs/dbraw/zinc/18/32/86/435183286.db2.gz PWHYTYBNJUHCRS-MOPGFXCFSA-N 2 1 322.456 3.202 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccccc2)nc1 ZINC000532650523 435183291 /nfs/dbraw/zinc/18/32/91/435183291.db2.gz PWHYTYBNJUHCRS-MOPGFXCFSA-N 2 1 322.456 3.202 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccccc2)nc1 ZINC000532650523 435183296 /nfs/dbraw/zinc/18/32/96/435183296.db2.gz PWHYTYBNJUHCRS-MOPGFXCFSA-N 2 1 322.456 3.202 20 0 DGADMP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000475673988 435208484 /nfs/dbraw/zinc/20/84/84/435208484.db2.gz SFILISOFPFRXOK-IBGZPJMESA-N 2 1 318.505 3.428 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)C[C@@H]1c1ccccc1 ZINC000561273102 435210103 /nfs/dbraw/zinc/21/01/03/435210103.db2.gz WKOVNIBWDTWMMG-RTBURBONSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)C[C@@H]1c1ccccc1 ZINC000561273102 435210105 /nfs/dbraw/zinc/21/01/05/435210105.db2.gz WKOVNIBWDTWMMG-RTBURBONSA-N 2 1 310.441 3.360 20 0 DGADMP CC[C@](C)(C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1)OC ZINC000639243056 435211692 /nfs/dbraw/zinc/21/16/92/435211692.db2.gz TYYPGUBWXCQHFE-CQSZACIVSA-N 2 1 310.404 3.150 20 0 DGADMP C[C@H](C(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338040832 298152594 /nfs/dbraw/zinc/15/25/94/298152594.db2.gz SMCPNYOECJARAB-IXDOHACOSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338040832 298152596 /nfs/dbraw/zinc/15/25/96/298152596.db2.gz SMCPNYOECJARAB-IXDOHACOSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338040832 298152598 /nfs/dbraw/zinc/15/25/98/298152598.db2.gz SMCPNYOECJARAB-IXDOHACOSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000562081435 435250755 /nfs/dbraw/zinc/25/07/55/435250755.db2.gz NNXGYHYJRPZHQI-GOSISDBHSA-N 2 1 317.521 3.361 20 0 DGADMP OCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000562046517 435248110 /nfs/dbraw/zinc/24/81/10/435248110.db2.gz XKWZHIIFFAMABU-GOSISDBHSA-N 2 1 322.880 3.228 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000562200542 435256866 /nfs/dbraw/zinc/25/68/66/435256866.db2.gz QGAIESZRIAAFSL-CQSZACIVSA-N 2 1 310.844 3.439 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000562200542 435256868 /nfs/dbraw/zinc/25/68/68/435256868.db2.gz QGAIESZRIAAFSL-CQSZACIVSA-N 2 1 310.844 3.439 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639347592 435258749 /nfs/dbraw/zinc/25/87/49/435258749.db2.gz OSRWNAIXCJFCIC-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639347592 435258753 /nfs/dbraw/zinc/25/87/53/435258753.db2.gz OSRWNAIXCJFCIC-CYBMUJFWSA-N 2 1 319.399 3.335 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000639378526 435274940 /nfs/dbraw/zinc/27/49/40/435274940.db2.gz GZXBXASKYVUVAM-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CC(C)C([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000643251691 435284519 /nfs/dbraw/zinc/28/45/19/435284519.db2.gz QRKTVVFIZGBXJM-UHFFFAOYSA-N 2 1 304.478 3.289 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOc2cccc(CC)c2)C1 ZINC000478045267 435288893 /nfs/dbraw/zinc/28/88/93/435288893.db2.gz IOWODWVHEMFYNU-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(CC)c2)C1 ZINC000478045267 435288899 /nfs/dbraw/zinc/28/88/99/435288899.db2.gz IOWODWVHEMFYNU-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(CC)c2)C1 ZINC000478045267 435288905 /nfs/dbraw/zinc/28/89/05/435288905.db2.gz IOWODWVHEMFYNU-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(CC)c2)C1 ZINC000478045267 435288909 /nfs/dbraw/zinc/28/89/09/435288909.db2.gz IOWODWVHEMFYNU-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(CC)c2)C1 ZINC000478045267 435288914 /nfs/dbraw/zinc/28/89/14/435288914.db2.gz IOWODWVHEMFYNU-SFHVURJKSA-N 2 1 304.478 3.292 20 0 DGADMP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000534799066 435300608 /nfs/dbraw/zinc/30/06/08/435300608.db2.gz DZZVEZGQPXDJSW-KURKYZTESA-N 2 1 306.494 3.188 20 0 DGADMP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000534799066 435300613 /nfs/dbraw/zinc/30/06/13/435300613.db2.gz DZZVEZGQPXDJSW-KURKYZTESA-N 2 1 306.494 3.188 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000648444609 435302422 /nfs/dbraw/zinc/30/24/22/435302422.db2.gz IZKWELWVCCKVGT-SLFFLAALSA-N 2 1 316.489 3.098 20 0 DGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643032854 435263092 /nfs/dbraw/zinc/26/30/92/435263092.db2.gz IKODYAWJADMQOE-NHYWBVRUSA-N 2 1 321.346 3.442 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000643064106 435264079 /nfs/dbraw/zinc/26/40/79/435264079.db2.gz JERCEYUCOZVQHN-HKUYNNGSSA-N 2 1 302.462 3.146 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCCC23CCCC3)CC1(C)C ZINC000567401129 435315300 /nfs/dbraw/zinc/31/53/00/435315300.db2.gz NJLATACOVCDGPP-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H](C)OC ZINC000643357131 435316243 /nfs/dbraw/zinc/31/62/43/435316243.db2.gz VPGJUOLDLXUZGV-QGZVFWFLSA-N 2 1 320.477 3.018 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)COCC2 ZINC000639495912 435320415 /nfs/dbraw/zinc/32/04/15/435320415.db2.gz JHCZRSDEBPBULQ-LJQANCHMSA-N 2 1 314.473 3.210 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)COCC2 ZINC000639497265 435322102 /nfs/dbraw/zinc/32/21/02/435322102.db2.gz JNZXGZHCTBUGMP-KRWDZBQOSA-N 2 1 314.473 3.067 20 0 DGADMP Cc1cc(C)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)n1 ZINC000639506370 435323842 /nfs/dbraw/zinc/32/38/42/435323842.db2.gz BJXZEQZOLPMMMD-GOSISDBHSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)n1 ZINC000639506370 435323846 /nfs/dbraw/zinc/32/38/46/435323846.db2.gz BJXZEQZOLPMMMD-GOSISDBHSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)n1 ZINC000639506370 435323851 /nfs/dbraw/zinc/32/38/51/435323851.db2.gz BJXZEQZOLPMMMD-GOSISDBHSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000639506370 435323854 /nfs/dbraw/zinc/32/38/54/435323854.db2.gz BJXZEQZOLPMMMD-GOSISDBHSA-N 2 1 301.478 3.171 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000639506370 435323859 /nfs/dbraw/zinc/32/38/59/435323859.db2.gz BJXZEQZOLPMMMD-GOSISDBHSA-N 2 1 301.478 3.171 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000567505220 435324247 /nfs/dbraw/zinc/32/42/47/435324247.db2.gz QZBGXPQJHFDFQZ-KRWDZBQOSA-N 2 1 313.445 3.043 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000479447557 435333766 /nfs/dbraw/zinc/33/37/66/435333766.db2.gz QECFMUJCMKLFKU-QUCCMNQESA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CC[C@@H](C)O3)C2)s1 ZINC000567617462 435335338 /nfs/dbraw/zinc/33/53/38/435335338.db2.gz KTCBTUCOGMJOOK-DJIMGWMZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CC[C@@H](C)O3)C2)s1 ZINC000567617462 435335342 /nfs/dbraw/zinc/33/53/42/435335342.db2.gz KTCBTUCOGMJOOK-DJIMGWMZSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CC[C@@H](C)O3)C2)s1 ZINC000567617462 435335346 /nfs/dbraw/zinc/33/53/46/435335346.db2.gz KTCBTUCOGMJOOK-DJIMGWMZSA-N 2 1 322.518 3.378 20 0 DGADMP CC[C@H](Cc1cccs1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000643498094 435336255 /nfs/dbraw/zinc/33/62/55/435336255.db2.gz XVHCFHVWSNJTST-MRXNPFEDSA-N 2 1 303.475 3.234 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000643493826 435337556 /nfs/dbraw/zinc/33/75/56/435337556.db2.gz RCQVVRRWMFJYLF-GJZGRUSLSA-N 2 1 313.445 3.422 20 0 DGADMP Brc1ccccc1C[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000643508241 435338808 /nfs/dbraw/zinc/33/88/08/435338808.db2.gz WBOULAOWCPZODZ-INIZCTEOSA-N 2 1 323.278 3.112 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000643522073 435340323 /nfs/dbraw/zinc/34/03/23/435340323.db2.gz HILQCKWMSIDAEY-WCQYABFASA-N 2 1 306.841 3.019 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000643521410 435340789 /nfs/dbraw/zinc/34/07/89/435340789.db2.gz FJTXASLGNLWYHA-RYUDHWBXSA-N 2 1 312.841 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000643522476 435341898 /nfs/dbraw/zinc/34/18/98/435341898.db2.gz NUPONQXVTZJQDO-JQWIXIFHSA-N 2 1 302.340 3.220 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560084 435342601 /nfs/dbraw/zinc/34/26/01/435342601.db2.gz KZWKUQMEQFUPCN-FXAWDEMLSA-N 2 1 316.489 3.025 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccccc3C2)CCCO1 ZINC000648560084 435342605 /nfs/dbraw/zinc/34/26/05/435342605.db2.gz KZWKUQMEQFUPCN-FXAWDEMLSA-N 2 1 316.489 3.025 20 0 DGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528454 435343680 /nfs/dbraw/zinc/34/36/80/435343680.db2.gz JGWVUUYPMSVDHD-SCLBCKFNSA-N 2 1 302.393 3.055 20 0 DGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528453 435345153 /nfs/dbraw/zinc/34/51/53/435345153.db2.gz JGWVUUYPMSVDHD-FZKQIMNGSA-N 2 1 302.393 3.055 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000643546653 435348472 /nfs/dbraw/zinc/34/84/72/435348472.db2.gz SNJMSEYSPWHNRU-KBPBESRZSA-N 2 1 304.434 3.029 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587570 435352132 /nfs/dbraw/zinc/35/21/32/435352132.db2.gz JSWUGARPPAAUGB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587570 435352137 /nfs/dbraw/zinc/35/21/37/435352137.db2.gz JSWUGARPPAAUGB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648587570 435352140 /nfs/dbraw/zinc/35/21/40/435352140.db2.gz JSWUGARPPAAUGB-BLLLJJGKSA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593289 435356147 /nfs/dbraw/zinc/35/61/47/435356147.db2.gz UCJOZTVUEQXBDK-MRXNPFEDSA-N 2 1 305.809 3.009 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000535810039 435357315 /nfs/dbraw/zinc/35/73/15/435357315.db2.gz XDSRZAGXISLUQD-HSALFYBXSA-N 2 1 316.489 3.494 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479940746 435358846 /nfs/dbraw/zinc/35/88/46/435358846.db2.gz MPHCLCGXMBXIGI-KDURUIRLSA-N 2 1 308.425 3.013 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479940746 435358851 /nfs/dbraw/zinc/35/88/51/435358851.db2.gz MPHCLCGXMBXIGI-KDURUIRLSA-N 2 1 308.425 3.013 20 0 DGADMP Cc1cc(NCC[N@H+]2CCc3sccc3C2)c2ccccc2[nH+]1 ZINC000512554341 435360522 /nfs/dbraw/zinc/36/05/22/435360522.db2.gz MPGXWVCPMXNRAX-UHFFFAOYSA-N 2 1 323.465 3.497 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567853800 435362262 /nfs/dbraw/zinc/36/22/62/435362262.db2.gz OPMBFGSXWKYOGK-QYZOEREBSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567853800 435362265 /nfs/dbraw/zinc/36/22/65/435362265.db2.gz OPMBFGSXWKYOGK-QYZOEREBSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000639471976 435310936 /nfs/dbraw/zinc/31/09/36/435310936.db2.gz IPWISHIPPFVFHD-XLIONFOSSA-N 2 1 316.489 3.255 20 0 DGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000536704245 435404966 /nfs/dbraw/zinc/40/49/66/435404966.db2.gz WGYKWEQUMXOGMY-KSZLIROESA-N 2 1 308.510 3.436 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CC1)c1ccccc1N=C2C ZINC000639729923 435405092 /nfs/dbraw/zinc/40/50/92/435405092.db2.gz UFZLVEGXXLFABR-UHFFFAOYSA-N 2 1 308.429 3.331 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757955 435408988 /nfs/dbraw/zinc/40/89/88/435408988.db2.gz NKHINZDBYVFRJR-UHFFFAOYSA-N 2 1 320.502 3.205 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C3CCCC3)CC2)CC1 ZINC000536757388 435410470 /nfs/dbraw/zinc/41/04/70/435410470.db2.gz VIWVWQLHALGDAV-UHFFFAOYSA-N 2 1 307.526 3.057 20 0 DGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000536757388 435410473 /nfs/dbraw/zinc/41/04/73/435410473.db2.gz VIWVWQLHALGDAV-UHFFFAOYSA-N 3 1 307.526 3.057 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000536757388 435410481 /nfs/dbraw/zinc/41/04/81/435410481.db2.gz VIWVWQLHALGDAV-UHFFFAOYSA-N 3 1 307.526 3.057 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CCO[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000536836229 435413527 /nfs/dbraw/zinc/41/35/27/435413527.db2.gz VTXXZPDOYFYXCN-DKKFBQAASA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000536998285 435421083 /nfs/dbraw/zinc/42/10/83/435421083.db2.gz NCYNIQIPKWGBOA-CXAGYDPISA-N 2 1 317.433 3.162 20 0 DGADMP COc1cc2c(N[C@H]3CCC[N@@H+](C)[C@@H]3C)cc[nH+]c2cc1F ZINC000480107673 435366708 /nfs/dbraw/zinc/36/67/08/435366708.db2.gz IRWFVHNUYFHASS-RISCZKNCSA-N 2 1 303.381 3.277 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000513064280 435377629 /nfs/dbraw/zinc/37/76/29/435377629.db2.gz OZSZMYHNNXIRBN-JCYILVPMSA-N 2 1 324.509 3.351 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000513064280 435377633 /nfs/dbraw/zinc/37/76/33/435377633.db2.gz OZSZMYHNNXIRBN-JCYILVPMSA-N 2 1 324.509 3.351 20 0 DGADMP c1ccc(C[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000568051333 435384030 /nfs/dbraw/zinc/38/40/30/435384030.db2.gz DDUPRJZZGOOWDA-IBGZPJMESA-N 2 1 306.453 3.397 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375205 435386180 /nfs/dbraw/zinc/38/61/80/435386180.db2.gz ALNFWLOUUUYPTD-DNVCBOLYSA-N 2 1 304.478 3.336 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375205 435386186 /nfs/dbraw/zinc/38/61/86/435386186.db2.gz ALNFWLOUUUYPTD-DNVCBOLYSA-N 2 1 304.478 3.336 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000568062037 435387000 /nfs/dbraw/zinc/38/70/00/435387000.db2.gz AXBYBCFWCDUYAB-WMZOPIPTSA-N 2 1 302.462 3.092 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639684147 435390708 /nfs/dbraw/zinc/39/07/08/435390708.db2.gz RXMDBIPYIQABKC-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000480689046 435391399 /nfs/dbraw/zinc/39/13/99/435391399.db2.gz KGLKNDFJCWHRKA-KRWDZBQOSA-N 2 1 317.521 3.348 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513511937 435391987 /nfs/dbraw/zinc/39/19/87/435391987.db2.gz MACYVYNAWJDEHD-MJGOQNOKSA-N 2 1 309.457 3.472 20 0 DGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCCN(c3cc[nH+]cc3)CC1)CC2 ZINC000639682685 435392420 /nfs/dbraw/zinc/39/24/20/435392420.db2.gz JGDVAKZJCFIVSN-LJQANCHMSA-N 2 1 311.404 3.420 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000513654944 435396954 /nfs/dbraw/zinc/39/69/54/435396954.db2.gz YJSCXXKCXWFTNB-KBPBESRZSA-N 2 1 301.821 3.349 20 0 DGADMP Clc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000513654944 435396959 /nfs/dbraw/zinc/39/69/59/435396959.db2.gz YJSCXXKCXWFTNB-KBPBESRZSA-N 2 1 301.821 3.349 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161898 435399133 /nfs/dbraw/zinc/39/91/33/435399133.db2.gz LNWKLUPJCJJLDN-CHWSQXEVSA-N 2 1 315.373 3.166 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161898 435399139 /nfs/dbraw/zinc/39/91/39/435399139.db2.gz LNWKLUPJCJJLDN-CHWSQXEVSA-N 2 1 315.373 3.166 20 0 DGADMP CC(C)(C[NH2+]CCC(=O)Nc1ccccc1F)[NH+]1CCCCC1 ZINC000644512789 435445638 /nfs/dbraw/zinc/44/56/38/435445638.db2.gz PVHCUVSUFFYDMZ-UHFFFAOYSA-N 2 1 321.440 3.008 20 0 DGADMP CCCc1cccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000481989020 435448478 /nfs/dbraw/zinc/44/84/78/435448478.db2.gz HSWXOWLUNMIMTL-HXUWFJFHSA-N 2 1 316.489 3.183 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000482170091 435455721 /nfs/dbraw/zinc/45/57/21/435455721.db2.gz MIZSYHURCOGCCA-IAGOWNOFSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCC[C@@H](C)C1 ZINC000482170091 435455727 /nfs/dbraw/zinc/45/57/27/435455727.db2.gz MIZSYHURCOGCCA-IAGOWNOFSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc3c(c(Cl)c1)OCO3)CC[NH2+]CC2 ZINC000515053731 435458435 /nfs/dbraw/zinc/45/84/35/435458435.db2.gz QGGCFDDSHWOQEY-GFCCVEGCSA-N 2 1 322.836 3.033 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)[C@H]2c2ccco2)CC1 ZINC000639929546 435464285 /nfs/dbraw/zinc/46/42/85/435464285.db2.gz NRGSWDZFFSVKJH-GOSISDBHSA-N 2 1 319.493 3.079 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2C)[C@H](C)C1 ZINC000537957964 435474568 /nfs/dbraw/zinc/47/45/68/435474568.db2.gz AVZJHCRVRVUDMP-QUCCMNQESA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000515311083 435474860 /nfs/dbraw/zinc/47/48/60/435474860.db2.gz BAGBLLCOYBEYFW-OAHLLOKOSA-N 2 1 312.461 3.476 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2C)[C@@H](C)C1 ZINC000537957963 435475789 /nfs/dbraw/zinc/47/57/89/435475789.db2.gz AVZJHCRVRVUDMP-ICSRJNTNSA-N 2 1 318.505 3.264 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000537955576 435476256 /nfs/dbraw/zinc/47/62/56/435476256.db2.gz CMPIZFOGZKVWJR-ZGRYLRDCSA-N 2 1 324.509 3.207 20 0 DGADMP CC(C)COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000537205784 435429966 /nfs/dbraw/zinc/42/99/66/435429966.db2.gz SLRWNSBHFAQGTF-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000537205784 435429967 /nfs/dbraw/zinc/42/99/67/435429967.db2.gz SLRWNSBHFAQGTF-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000537205784 435429971 /nfs/dbraw/zinc/42/99/71/435429971.db2.gz SLRWNSBHFAQGTF-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000537205784 435429974 /nfs/dbraw/zinc/42/99/74/435429974.db2.gz SLRWNSBHFAQGTF-GOSISDBHSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000537205785 435430773 /nfs/dbraw/zinc/43/07/73/435430773.db2.gz SLRWNSBHFAQGTF-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000537205785 435430781 /nfs/dbraw/zinc/43/07/81/435430781.db2.gz SLRWNSBHFAQGTF-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000537205785 435430784 /nfs/dbraw/zinc/43/07/84/435430784.db2.gz SLRWNSBHFAQGTF-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000537205785 435430789 /nfs/dbraw/zinc/43/07/89/435430789.db2.gz SLRWNSBHFAQGTF-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000537397458 435442035 /nfs/dbraw/zinc/44/20/35/435442035.db2.gz YNUHVSARISBQIP-APWZRJJASA-N 2 1 301.478 3.425 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000537397461 435442121 /nfs/dbraw/zinc/44/21/21/435442121.db2.gz YNUHVSARISBQIP-VQIMIIECSA-N 2 1 301.478 3.425 20 0 DGADMP CC(C)[NH2+]CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000568499300 435443281 /nfs/dbraw/zinc/44/32/81/435443281.db2.gz FXGUMKQXRUMLLY-ACDBMABISA-N 2 1 315.505 3.160 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000568499300 435443283 /nfs/dbraw/zinc/44/32/83/435443283.db2.gz FXGUMKQXRUMLLY-ACDBMABISA-N 3 1 315.505 3.160 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000568499300 435443286 /nfs/dbraw/zinc/44/32/86/435443286.db2.gz FXGUMKQXRUMLLY-ACDBMABISA-N 3 1 315.505 3.160 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569317595 435523217 /nfs/dbraw/zinc/52/32/17/435523217.db2.gz VSSAJXPKOYCAAC-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569317595 435523220 /nfs/dbraw/zinc/52/32/20/435523220.db2.gz VSSAJXPKOYCAAC-APWZRJJASA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)O[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000644667860 435483506 /nfs/dbraw/zinc/48/35/06/435483506.db2.gz YANHDRJDEHKWJN-IBGZPJMESA-N 2 1 304.478 3.426 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482872492 435486154 /nfs/dbraw/zinc/48/61/54/435486154.db2.gz ZGOOCHRVUPRUEU-PWIZWCRZSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000482891039 435486291 /nfs/dbraw/zinc/48/62/91/435486291.db2.gz OCKIQWAOBAWQKA-HCXYKTFWSA-N 2 1 310.526 3.274 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000538405787 435497838 /nfs/dbraw/zinc/49/78/38/435497838.db2.gz FBDCWXVTPXVVML-BRSBDYLESA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000538405787 435497844 /nfs/dbraw/zinc/49/78/44/435497844.db2.gz FBDCWXVTPXVVML-BRSBDYLESA-N 2 1 308.510 3.290 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000484724895 435552926 /nfs/dbraw/zinc/55/29/26/435552926.db2.gz CUIRWXRBEJNTMS-HAGHYFMRSA-N 2 1 316.489 3.173 20 0 DGADMP CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000569754738 435559928 /nfs/dbraw/zinc/55/99/28/435559928.db2.gz MYLCQYUOVSUWHY-LWYYNNOASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649378660 435573893 /nfs/dbraw/zinc/57/38/93/435573893.db2.gz ROGYUNUUDGKJNU-MRXNPFEDSA-N 2 1 323.525 3.007 20 0 DGADMP c1cc(C[N@@H+](CCCC2CC[NH2+]CC2)Cc2ccccc2)n[nH]1 ZINC000649412612 435579854 /nfs/dbraw/zinc/57/98/54/435579854.db2.gz YCKPZFDHQZTBJD-UHFFFAOYSA-N 2 1 312.461 3.192 20 0 DGADMP c1cc(C[N@H+](CCCC2CC[NH2+]CC2)Cc2ccccc2)n[nH]1 ZINC000649412612 435579858 /nfs/dbraw/zinc/57/98/58/435579858.db2.gz YCKPZFDHQZTBJD-UHFFFAOYSA-N 2 1 312.461 3.192 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548246 435620778 /nfs/dbraw/zinc/62/07/78/435620778.db2.gz QZPDQFBMMFAUON-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548246 435620783 /nfs/dbraw/zinc/62/07/83/435620783.db2.gz QZPDQFBMMFAUON-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000649548246 435620789 /nfs/dbraw/zinc/62/07/89/435620789.db2.gz QZPDQFBMMFAUON-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000649548246 435620792 /nfs/dbraw/zinc/62/07/92/435620792.db2.gz QZPDQFBMMFAUON-HKUYNNGSSA-N 2 1 304.478 3.428 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000518338975 435634661 /nfs/dbraw/zinc/63/46/61/435634661.db2.gz DIUYTIIZRJCASB-ZIFCJYIRSA-N 2 1 301.478 3.428 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000540188833 435593724 /nfs/dbraw/zinc/59/37/24/435593724.db2.gz PLFVWPYNYOIERQ-BXUZGUMPSA-N 2 1 301.261 3.466 20 0 DGADMP CCCC[N@@H+](C)CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000517381557 435593816 /nfs/dbraw/zinc/59/38/16/435593816.db2.gz GPHQXWRTNNJPBM-UHFFFAOYSA-N 2 1 302.466 3.279 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccco2)o1 ZINC000640532838 435597717 /nfs/dbraw/zinc/59/77/17/435597717.db2.gz XBJZPUSOVHGKLN-UHFFFAOYSA-N 2 1 318.421 3.028 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccco2)o1 ZINC000640532838 435597721 /nfs/dbraw/zinc/59/77/21/435597721.db2.gz XBJZPUSOVHGKLN-UHFFFAOYSA-N 2 1 318.421 3.028 20 0 DGADMP CN(CCC[N@@H+](C)Cc1ccc2c(n1)CCC2)Cc1ccco1 ZINC000571381682 435701894 /nfs/dbraw/zinc/70/18/94/435701894.db2.gz JFDHBLDMXKQFKJ-UHFFFAOYSA-N 2 1 313.445 3.117 20 0 DGADMP CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc2c(n1)CCC2 ZINC000571381682 435701898 /nfs/dbraw/zinc/70/18/98/435701898.db2.gz JFDHBLDMXKQFKJ-UHFFFAOYSA-N 2 1 313.445 3.117 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000571697698 435729317 /nfs/dbraw/zinc/72/93/17/435729317.db2.gz KPJLFPHSTFERGL-INIZCTEOSA-N 2 1 301.409 3.056 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000571697698 435729322 /nfs/dbraw/zinc/72/93/22/435729322.db2.gz KPJLFPHSTFERGL-INIZCTEOSA-N 2 1 301.409 3.056 20 0 DGADMP COCCC[NH+]1CCC(Nc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641335231 435729600 /nfs/dbraw/zinc/72/96/00/435729600.db2.gz QRTPCIBAXLFNRR-UHFFFAOYSA-N 2 1 305.466 3.292 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655704126 435737230 /nfs/dbraw/zinc/73/72/30/435737230.db2.gz QGZVCLBVRBUHTK-IBGZPJMESA-N 2 1 316.489 3.327 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000549119938 435739493 /nfs/dbraw/zinc/73/94/93/435739493.db2.gz URVPOWBIPROWEJ-UHFFFAOYSA-N 2 1 320.477 3.270 20 0 DGADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655714596 435742531 /nfs/dbraw/zinc/74/25/31/435742531.db2.gz AJNOXCCPGMPIAJ-ZIFCJYIRSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000571824660 435743503 /nfs/dbraw/zinc/74/35/03/435743503.db2.gz XWXXTFMKBHWECE-UHFFFAOYSA-N 2 1 305.372 3.349 20 0 DGADMP C[C@@H](C[NH+]1CC[C@@]2(CC2(F)F)C1)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649906853 435746113 /nfs/dbraw/zinc/74/61/13/435746113.db2.gz DOGPMOJXWDMVLC-BTTYYORXSA-N 2 1 320.374 3.085 20 0 DGADMP C[C@H](C[NH+]1CC[C@]2(CC2(F)F)C1)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649906853 435746119 /nfs/dbraw/zinc/74/61/19/435746119.db2.gz DOGPMOJXWDMVLC-BTTYYORXSA-N 2 1 320.374 3.085 20 0 DGADMP C[C@H](C[NH+]1CC[C@]2(CC2(F)F)C1)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649906853 435746124 /nfs/dbraw/zinc/74/61/24/435746124.db2.gz DOGPMOJXWDMVLC-BTTYYORXSA-N 2 1 320.374 3.085 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1cccs1 ZINC000655720278 435747955 /nfs/dbraw/zinc/74/79/55/435747955.db2.gz SBMYMAHMFWHJKD-DOTOQJQBSA-N 2 1 322.518 3.160 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@]2(CC2(F)F)C1)[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907700 435749628 /nfs/dbraw/zinc/74/96/28/435749628.db2.gz YEHAYTFMEADSKR-MGPQQGTHSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@]2(CC2(F)F)C1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907700 435749638 /nfs/dbraw/zinc/74/96/38/435749638.db2.gz YEHAYTFMEADSKR-MGPQQGTHSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@]2(CC2(F)F)C1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907700 435749642 /nfs/dbraw/zinc/74/96/42/435749642.db2.gz YEHAYTFMEADSKR-MGPQQGTHSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@]2(CC2(F)F)C1)[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907698 435749709 /nfs/dbraw/zinc/74/97/09/435749709.db2.gz YEHAYTFMEADSKR-HZSPNIEDSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@]2(CC2(F)F)C1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907698 435749714 /nfs/dbraw/zinc/74/97/14/435749714.db2.gz YEHAYTFMEADSKR-HZSPNIEDSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@]2(CC2(F)F)C1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907698 435749721 /nfs/dbraw/zinc/74/97/21/435749721.db2.gz YEHAYTFMEADSKR-HZSPNIEDSA-N 2 1 320.374 3.227 20 0 DGADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(F)c1 ZINC000519825787 435714471 /nfs/dbraw/zinc/71/44/71/435714471.db2.gz LUYSHBWCFAGEOA-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1F ZINC000655771455 435787170 /nfs/dbraw/zinc/78/71/70/435787170.db2.gz LGJLQELOMYPLCD-QAPCUYQASA-N 2 1 320.452 3.428 20 0 DGADMP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655774021 435790613 /nfs/dbraw/zinc/79/06/13/435790613.db2.gz NXYBMTZYENPABJ-SJLPKXTDSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2C2CCC2)CC1 ZINC000646139775 435791885 /nfs/dbraw/zinc/79/18/85/435791885.db2.gz AUMMOXMFKKUYBP-IBGZPJMESA-N 2 1 307.526 3.057 20 0 DGADMP CC1(C)CCC(C)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655777898 435793315 /nfs/dbraw/zinc/79/33/15/435793315.db2.gz ZIPCNGDFOMDBDR-KRWDZBQOSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC2CCC1CC2 ZINC000655780824 435795519 /nfs/dbraw/zinc/79/55/19/435795519.db2.gz LYHQTFGKMTXFSZ-GAIHSPJBSA-N 2 1 320.521 3.434 20 0 DGADMP CCn1cc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733179 435800979 /nfs/dbraw/zinc/80/09/79/435800979.db2.gz GRVBVFVJQVGYJY-YJBOKZPZSA-N 2 1 324.472 3.285 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000660558072 435804081 /nfs/dbraw/zinc/80/40/81/435804081.db2.gz QYFJXRJJNDBDIH-LSDHHAIUSA-N 2 1 318.436 3.331 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000660558072 435804089 /nfs/dbraw/zinc/80/40/89/435804089.db2.gz QYFJXRJJNDBDIH-LSDHHAIUSA-N 2 1 318.436 3.331 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000550704010 435809730 /nfs/dbraw/zinc/80/97/30/435809730.db2.gz RFSDRWUHPIALHF-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccccc2)n1 ZINC000641758405 435811841 /nfs/dbraw/zinc/81/18/41/435811841.db2.gz OROTVAHLQBLRFP-YQQQUEKLSA-N 2 1 324.472 3.285 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805355 435813792 /nfs/dbraw/zinc/81/37/92/435813792.db2.gz GOLRIQBMZKEMDW-OGWOLHLISA-N 3 1 312.461 3.172 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ncccc1C(F)(F)F)C1CC1 ZINC000651599770 435767011 /nfs/dbraw/zinc/76/70/11/435767011.db2.gz RSUHYNFSOSGGDW-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660473670 435767473 /nfs/dbraw/zinc/76/74/73/435767473.db2.gz SIJSPHOHEAZUDU-UYAOXDASSA-N 2 1 316.489 3.194 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)C[NH+](C)C)s2)cc1 ZINC000491545253 435767967 /nfs/dbraw/zinc/76/79/67/435767967.db2.gz KFFWJEQPYZNPML-CQSZACIVSA-N 2 1 303.475 3.406 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3ccnc(C)n3)C2)s1 ZINC000641646899 435775052 /nfs/dbraw/zinc/77/50/52/435775052.db2.gz LPYWUWNEKSSWDB-HNNXBMFYSA-N 2 1 316.474 3.113 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000655754085 435776934 /nfs/dbraw/zinc/77/69/34/435776934.db2.gz JAIKSNCJTJZCGR-QGZVFWFLSA-N 2 1 322.880 3.381 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C[NH+](C)C ZINC000491594007 435777897 /nfs/dbraw/zinc/77/78/97/435777897.db2.gz LRBRTNZUQBYOCC-JTQLQIEISA-N 2 1 306.784 3.229 20 0 DGADMP FC1(F)CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655763852 435782536 /nfs/dbraw/zinc/78/25/36/435782536.db2.gz SSAYNHUIZBSFFC-INIZCTEOSA-N 2 1 316.436 3.045 20 0 DGADMP COc1cccc2c1CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000572475179 435831063 /nfs/dbraw/zinc/83/10/63/435831063.db2.gz NWVVXVIEPZKIQO-KRWWSPQJSA-N 2 1 300.446 3.287 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1Oc1ccccc1 ZINC000551543399 435839899 /nfs/dbraw/zinc/83/98/99/435839899.db2.gz VZHCCRGTDQVVGK-ATZDWAIDSA-N 2 1 314.473 3.306 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCOCCc1ccccc1)C2 ZINC000660655487 435843546 /nfs/dbraw/zinc/84/35/46/435843546.db2.gz NTBLDDBIOJVOOF-HXUWFJFHSA-N 2 1 316.489 3.054 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000651865976 435849177 /nfs/dbraw/zinc/84/91/77/435849177.db2.gz PFQAWROJADKMPG-KRWDZBQOSA-N 2 1 319.493 3.280 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000651865876 435849811 /nfs/dbraw/zinc/84/98/11/435849811.db2.gz LADVNUUIPNANBF-HNNXBMFYSA-N 2 1 305.466 3.274 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000651865876 435849816 /nfs/dbraw/zinc/84/98/16/435849816.db2.gz LADVNUUIPNANBF-HNNXBMFYSA-N 2 1 305.466 3.274 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000651865977 435850188 /nfs/dbraw/zinc/85/01/88/435850188.db2.gz PFQAWROJADKMPG-QGZVFWFLSA-N 2 1 319.493 3.280 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nsc3ccccc31)C2 ZINC000660664066 435852598 /nfs/dbraw/zinc/85/25/98/435852598.db2.gz PQPIQSAHANEHIU-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nsc3ccccc31)C2 ZINC000660664066 435852601 /nfs/dbraw/zinc/85/26/01/435852601.db2.gz PQPIQSAHANEHIU-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1nsc3ccccc31)C2 ZINC000660664066 435852607 /nfs/dbraw/zinc/85/26/07/435852607.db2.gz PQPIQSAHANEHIU-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1nsc3ccccc31)C2 ZINC000660664066 435852614 /nfs/dbraw/zinc/85/26/14/435852614.db2.gz PQPIQSAHANEHIU-GOSISDBHSA-N 2 1 315.486 3.257 20 0 DGADMP CC[C@H](OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000651908466 435860748 /nfs/dbraw/zinc/86/07/48/435860748.db2.gz FJZULDUKRIWOGA-OTWHNJEPSA-N 2 1 302.462 3.371 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1cccc2nccn21)C1CCCCC1 ZINC000651910420 435862028 /nfs/dbraw/zinc/86/20/28/435862028.db2.gz SPDLGWWJGFIQND-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1cccc2nccn21)C1CCCCC1 ZINC000651910420 435862035 /nfs/dbraw/zinc/86/20/35/435862035.db2.gz SPDLGWWJGFIQND-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000655941334 435864845 /nfs/dbraw/zinc/86/48/45/435864845.db2.gz QNRYJRCWQGHEAW-HUUCEWRRSA-N 2 1 308.416 3.219 20 0 DGADMP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000651983278 435885225 /nfs/dbraw/zinc/88/52/25/435885225.db2.gz VRMVJEXVGYGYLC-KRWDZBQOSA-N 2 1 316.489 3.098 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1(CO)CCC1 ZINC000652036436 435894681 /nfs/dbraw/zinc/89/46/81/435894681.db2.gz IPJXWXATZKKPBH-UHFFFAOYSA-N 2 1 318.505 3.287 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)s1 ZINC000665249956 435928963 /nfs/dbraw/zinc/92/89/63/435928963.db2.gz CNUOOLCLSSBIKX-SECBINFHSA-N 2 1 303.269 3.433 20 0 DGADMP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000665247645 435929264 /nfs/dbraw/zinc/92/92/64/435929264.db2.gz GVIQJOZFHTZGMT-LDLYASANSA-N 3 1 313.489 3.043 20 0 DGADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665262270 435931941 /nfs/dbraw/zinc/93/19/41/435931941.db2.gz XJCSUCFFEIMDDU-YMRXKLBXSA-N 2 1 318.367 3.467 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)[C@@H]1C[C@H]1C ZINC000665259682 435932568 /nfs/dbraw/zinc/93/25/68/435932568.db2.gz MUPWFJJLGCDCED-FIFHEGHSSA-N 2 1 320.452 3.304 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257862 435932860 /nfs/dbraw/zinc/93/28/60/435932860.db2.gz WTNYKZIJBHEUMP-MANSERQUSA-N 2 1 320.452 3.064 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000665266969 435934299 /nfs/dbraw/zinc/93/42/99/435934299.db2.gz MTGGPDNUKWWOQU-BXKDBHETSA-N 2 1 317.296 3.297 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCSc2ccccc2)C1 ZINC000652362084 435959131 /nfs/dbraw/zinc/95/91/31/435959131.db2.gz WYFARRLWTVLNKK-BPQIPLTHSA-N 2 1 320.502 3.140 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@@H]1CC[NH3+] ZINC000652356008 435959434 /nfs/dbraw/zinc/95/94/34/435959434.db2.gz PWBMPOUSLFOCFD-XJKSGUPXSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@@H]1CC[NH3+] ZINC000652356008 435959436 /nfs/dbraw/zinc/95/94/36/435959436.db2.gz PWBMPOUSLFOCFD-XJKSGUPXSA-N 2 1 317.408 3.430 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000652358493 435959672 /nfs/dbraw/zinc/95/96/72/435959672.db2.gz LHTCLNQLTVPANR-MOPGFXCFSA-N 2 1 316.489 3.482 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647248657 435989733 /nfs/dbraw/zinc/98/97/33/435989733.db2.gz PJXOAIOGMFSTHX-AEFFLSMTSA-N 2 1 300.471 3.492 20 0 DGADMP Cc1sccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249150 435989778 /nfs/dbraw/zinc/98/97/78/435989778.db2.gz FEJMZBKXWIONJB-MSOLQXFVSA-N 2 1 300.471 3.492 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707788 435995200 /nfs/dbraw/zinc/99/52/00/435995200.db2.gz NAJXYVLTZPDBIX-XYJFISCASA-N 2 1 322.880 3.367 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000647249147 435991177 /nfs/dbraw/zinc/99/11/77/435991177.db2.gz DVZLEWJWUFDVQO-MSOLQXFVSA-N 2 1 300.471 3.492 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](CCCn2ccnc2)Cc2ccccc2)CO1 ZINC000661198544 435993279 /nfs/dbraw/zinc/99/32/79/435993279.db2.gz LFIBTAVAENFVAW-GOSISDBHSA-N 2 1 313.445 3.343 20 0 DGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279333 435937919 /nfs/dbraw/zinc/93/79/19/435937919.db2.gz ANGYWAYHRBOUOP-SGDIKTSBSA-N 2 1 322.452 3.321 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000650513022 435939451 /nfs/dbraw/zinc/93/94/51/435939451.db2.gz FMTJQEXCIWJFKO-GOSISDBHSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299483 435945290 /nfs/dbraw/zinc/94/52/90/435945290.db2.gz OABHLNDDHDPJAF-NEWSRXKRSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299483 435945292 /nfs/dbraw/zinc/94/52/92/435945292.db2.gz OABHLNDDHDPJAF-NEWSRXKRSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299483 435945294 /nfs/dbraw/zinc/94/52/94/435945294.db2.gz OABHLNDDHDPJAF-NEWSRXKRSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348062 435953958 /nfs/dbraw/zinc/95/39/58/435953958.db2.gz TUKLIIXSIVPEKO-XJIUQZFPSA-N 2 1 324.415 3.244 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348494 435955667 /nfs/dbraw/zinc/95/56/67/435955667.db2.gz GDORNSJQDDXXBM-KANFNMMFSA-N 2 1 320.452 3.495 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1cccc3ccccc31)C2 ZINC000652351902 435955881 /nfs/dbraw/zinc/95/58/81/435955881.db2.gz HCCVDIRWNJVHTI-PXNSSMCTSA-N 2 1 310.441 3.279 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652348915 435957083 /nfs/dbraw/zinc/95/70/83/435957083.db2.gz WAKZVMVCFYGYCV-GFEQUFNTSA-N 2 1 308.510 3.421 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354053 435957284 /nfs/dbraw/zinc/95/72/84/435957284.db2.gz MCTUWJUIPYHNHW-IEBWSBKVSA-N 2 1 304.478 3.085 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348821 435957505 /nfs/dbraw/zinc/95/75/05/435957505.db2.gz SFUHBWUFZWBMGZ-KANFNMMFSA-N 2 1 302.462 3.274 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348491 435957595 /nfs/dbraw/zinc/95/75/95/435957595.db2.gz GDORNSJQDDXXBM-AITUJVMLSA-N 2 1 320.452 3.495 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)[C@@H]1CC[NH3+] ZINC000650710970 435999531 /nfs/dbraw/zinc/99/95/31/435999531.db2.gz DUQJIMAJIKFCIX-XJKSGUPXSA-N 2 1 312.404 3.280 20 0 DGADMP CCn1c(C[NH2+]Cc2ccccc2C[NH2+]C)nc2ccccc21 ZINC000650718196 436004278 /nfs/dbraw/zinc/00/42/78/436004278.db2.gz BQTILEHICOWQDK-UHFFFAOYSA-N 2 1 308.429 3.065 20 0 DGADMP CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722055 436005182 /nfs/dbraw/zinc/00/51/82/436005182.db2.gz JQONSBVODRSGPT-IMJJTQAJSA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722055 436005185 /nfs/dbraw/zinc/00/51/85/436005185.db2.gz JQONSBVODRSGPT-IMJJTQAJSA-N 2 1 323.506 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000650723031 436008077 /nfs/dbraw/zinc/00/80/77/436008077.db2.gz GMCWYGQFIAQBDA-QGZQEYEKSA-N 2 1 318.436 3.200 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000656692152 436011731 /nfs/dbraw/zinc/01/17/31/436011731.db2.gz KVDULNBXYDQIJZ-KXBFYZLASA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000656692152 436011735 /nfs/dbraw/zinc/01/17/35/436011735.db2.gz KVDULNBXYDQIJZ-KXBFYZLASA-N 2 1 300.446 3.192 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000647336311 436020458 /nfs/dbraw/zinc/02/04/58/436020458.db2.gz UWCADYBXNKVPIT-XEYPJELSSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647336311 436020465 /nfs/dbraw/zinc/02/04/65/436020465.db2.gz UWCADYBXNKVPIT-XEYPJELSSA-N 2 1 318.505 3.284 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(Cl)c1 ZINC000650755906 436021424 /nfs/dbraw/zinc/02/14/24/436021424.db2.gz PHDGVIWHLVPXMB-QGZVFWFLSA-N 2 1 322.811 3.415 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647336531 436021422 /nfs/dbraw/zinc/02/14/22/436021422.db2.gz BRCOEBLVSHVLIF-QGZVKYPTSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647336530 436021921 /nfs/dbraw/zinc/02/19/21/436021921.db2.gz BRCOEBLVSHVLIF-ONCXSQPRSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000647344666 436025299 /nfs/dbraw/zinc/02/52/99/436025299.db2.gz WMXCLQMPQLUQJP-KYJSFNMBSA-N 2 1 313.420 3.217 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000647344666 436025303 /nfs/dbraw/zinc/02/53/03/436025303.db2.gz WMXCLQMPQLUQJP-KYJSFNMBSA-N 2 1 313.420 3.217 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782722 436041883 /nfs/dbraw/zinc/04/18/83/436041883.db2.gz IZZVNHUYEBAIRC-IBGZPJMESA-N 2 1 301.478 3.034 20 0 DGADMP CC(C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656785142 436045128 /nfs/dbraw/zinc/04/51/28/436045128.db2.gz JLCFVYBSYGVDNH-HNNXBMFYSA-N 2 1 307.507 3.478 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(F)c1F ZINC000656785507 436045592 /nfs/dbraw/zinc/04/55/92/436045592.db2.gz KXLNNOPJAJJLBT-CQSZACIVSA-N 2 1 312.379 3.316 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786647 436045700 /nfs/dbraw/zinc/04/57/00/436045700.db2.gz VNAPGLBPAYJXBV-GOSISDBHSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000650705693 435995456 /nfs/dbraw/zinc/99/54/56/435995456.db2.gz RIIYDHNGJZCIES-GBESFXJTSA-N 2 1 302.462 3.022 20 0 DGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706321 435996102 /nfs/dbraw/zinc/99/61/02/435996102.db2.gz ISHQYNTXXFDMSM-VBQJREDUSA-N 2 1 308.491 3.029 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000650705553 435996666 /nfs/dbraw/zinc/99/66/66/435996666.db2.gz LFNYZMOUPXEGOO-USXIJHARSA-N 2 1 308.853 3.058 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1=O ZINC000661540159 436103774 /nfs/dbraw/zinc/10/37/74/436103774.db2.gz YVVCWGMCORCRNF-IAGOWNOFSA-N 2 1 314.473 3.329 20 0 DGADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480630 436061078 /nfs/dbraw/zinc/06/10/78/436061078.db2.gz VRQWOARQUUNREJ-XLIONFOSSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480630 436061083 /nfs/dbraw/zinc/06/10/83/436061083.db2.gz VRQWOARQUUNREJ-XLIONFOSSA-N 2 1 324.472 3.145 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647498862 436064855 /nfs/dbraw/zinc/06/48/55/436064855.db2.gz SFUUWOKQSNJAMD-UKRRQHHQSA-N 2 1 316.367 3.187 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1[NH3+] ZINC000647498592 436065191 /nfs/dbraw/zinc/06/51/91/436065191.db2.gz KWFQAZQFRVTFQD-GXTWGEPZSA-N 2 1 316.367 3.187 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)CC[C@H]1[NH3+] ZINC000647498782 436065282 /nfs/dbraw/zinc/06/52/82/436065282.db2.gz QMSRXVIBHGQYBT-HUUCEWRRSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000647498854 436066945 /nfs/dbraw/zinc/06/69/45/436066945.db2.gz SDRKLBXBVFNPQG-WMLDXEAASA-N 2 1 318.852 3.085 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000647498854 436066948 /nfs/dbraw/zinc/06/69/48/436066948.db2.gz SDRKLBXBVFNPQG-WMLDXEAASA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647509874 436068009 /nfs/dbraw/zinc/06/80/09/436068009.db2.gz KZPWHALSPCZLPF-HIFRSBDPSA-N 2 1 324.428 3.002 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OC ZINC000647531152 436073858 /nfs/dbraw/zinc/07/38/58/436073858.db2.gz DKNSFKNMYRTFTE-AWEZNQCLSA-N 2 1 306.450 3.186 20 0 DGADMP c1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647542727 436078305 /nfs/dbraw/zinc/07/83/05/436078305.db2.gz AUWWZIGFKXVZAR-RBUKOAKNSA-N 2 1 309.457 3.446 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549050 436080193 /nfs/dbraw/zinc/08/01/93/436080193.db2.gz GUHRMKDDOJRCOF-HUBLWGQQSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H](NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000647548614 436080820 /nfs/dbraw/zinc/08/08/20/436080820.db2.gz KWEWOTBFULZZDE-ABSDTBQOSA-N 3 1 315.505 3.149 20 0 DGADMP c1sc(C2CC2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544217 436081303 /nfs/dbraw/zinc/08/13/03/436081303.db2.gz YGHVWYWOGQLNJI-LSDHHAIUSA-N 2 1 305.491 3.232 20 0 DGADMP C[C@@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000647551528 436082769 /nfs/dbraw/zinc/08/27/69/436082769.db2.gz TVOLUKSXSOAAAO-SLEUVZQESA-N 2 1 300.368 3.397 20 0 DGADMP COCc1csc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000657311893 436130124 /nfs/dbraw/zinc/13/01/24/436130124.db2.gz YPRJPFIDIADPDF-HNNXBMFYSA-N 2 1 310.507 3.496 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CO1 ZINC000657313279 436131767 /nfs/dbraw/zinc/13/17/67/436131767.db2.gz IKKDXJWJCAYFHD-RBUKOAKNSA-N 2 1 302.462 3.117 20 0 DGADMP C[C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647844365 436132530 /nfs/dbraw/zinc/13/25/30/436132530.db2.gz LKTXJXRDJCVQAU-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP CCCOc1ccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647872219 436138563 /nfs/dbraw/zinc/13/85/63/436138563.db2.gz HZVCBYKWHNDSEN-QGZVFWFLSA-N 2 1 320.477 3.306 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666083490 436141406 /nfs/dbraw/zinc/14/14/06/436141406.db2.gz FIWSKDSQTCTRHE-OAHLLOKOSA-N 2 1 303.837 3.382 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000647888025 436143460 /nfs/dbraw/zinc/14/34/60/436143460.db2.gz BQUBKRGMVGZVFF-CYBMUJFWSA-N 2 1 323.278 3.022 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902815 436144435 /nfs/dbraw/zinc/14/44/35/436144435.db2.gz CHECEPVJTPAGPV-HKUYNNGSSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000647908232 436144510 /nfs/dbraw/zinc/14/45/10/436144510.db2.gz QKJVLRPSVUETAF-VNQPRFMTSA-N 2 1 312.379 3.307 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899323 436145168 /nfs/dbraw/zinc/14/51/68/436145168.db2.gz GSQMGQCNKDIGQU-IEBWSBKVSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC[C@@H]1c1ccccc1 ZINC000647965678 436161965 /nfs/dbraw/zinc/16/19/65/436161965.db2.gz FSVMQHLXWIWCAO-HOJAQTOUSA-N 2 1 318.505 3.203 20 0 DGADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC[C@@H]1c1ccccc1 ZINC000647965678 436161970 /nfs/dbraw/zinc/16/19/70/436161970.db2.gz FSVMQHLXWIWCAO-HOJAQTOUSA-N 2 1 318.505 3.203 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647963825 436159933 /nfs/dbraw/zinc/15/99/33/436159933.db2.gz CRGRDBZRAYBAPM-MKXGPGLRSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647963825 436159937 /nfs/dbraw/zinc/15/99/37/436159937.db2.gz CRGRDBZRAYBAPM-MKXGPGLRSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000661710791 436161760 /nfs/dbraw/zinc/16/17/60/436161760.db2.gz VYIRMFATUTYCKV-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000653298741 436155950 /nfs/dbraw/zinc/15/59/50/436155950.db2.gz FMNNNXSMLIVVKZ-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978630 436167151 /nfs/dbraw/zinc/16/71/51/436167151.db2.gz WDLNATQVDKCYMU-RYQLBKOJSA-N 2 1 302.462 3.468 20 0 DGADMP Cc1cccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1C ZINC000647965384 436162093 /nfs/dbraw/zinc/16/20/93/436162093.db2.gz UVJGNICAJHLPSO-PKOBYXMFSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1C ZINC000647965384 436162097 /nfs/dbraw/zinc/16/20/97/436162097.db2.gz UVJGNICAJHLPSO-PKOBYXMFSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423300950 301157849 /nfs/dbraw/zinc/15/78/49/301157849.db2.gz GFTIENQKGXFXCA-KRWDZBQOSA-N 2 1 302.462 3.315 20 0 DGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647989890 436168305 /nfs/dbraw/zinc/16/83/05/436168305.db2.gz BDIZFLDEARRWGJ-QGZVFWFLSA-N 2 1 304.482 3.210 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000647987271 436169220 /nfs/dbraw/zinc/16/92/20/436169220.db2.gz BREWLWMDFLXJHB-ROUUACIJSA-N 2 1 302.462 3.004 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657413961 436185461 /nfs/dbraw/zinc/18/54/61/436185461.db2.gz RJSMANUTARLRFD-MRXNPFEDSA-N 2 1 318.509 3.145 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657413961 436185466 /nfs/dbraw/zinc/18/54/66/436185466.db2.gz RJSMANUTARLRFD-MRXNPFEDSA-N 2 1 318.509 3.145 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657413960 436186152 /nfs/dbraw/zinc/18/61/52/436186152.db2.gz RJSMANUTARLRFD-INIZCTEOSA-N 2 1 318.509 3.145 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657413960 436186158 /nfs/dbraw/zinc/18/61/58/436186158.db2.gz RJSMANUTARLRFD-INIZCTEOSA-N 2 1 318.509 3.145 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000653661365 436238115 /nfs/dbraw/zinc/23/81/15/436238115.db2.gz NMZJWTUWBUSWSD-GJYPPUQNSA-N 2 1 317.477 3.022 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000653661365 436238118 /nfs/dbraw/zinc/23/81/18/436238118.db2.gz NMZJWTUWBUSWSD-GJYPPUQNSA-N 2 1 317.477 3.022 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000661792315 436190902 /nfs/dbraw/zinc/19/09/02/436190902.db2.gz RZWYHWVHSNDDOF-UHFFFAOYSA-N 2 1 301.409 3.404 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000661792315 436190906 /nfs/dbraw/zinc/19/09/06/436190906.db2.gz RZWYHWVHSNDDOF-UHFFFAOYSA-N 2 1 301.409 3.404 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000653534042 436197720 /nfs/dbraw/zinc/19/77/20/436197720.db2.gz WASBAUZFFYFYHN-UHFFFAOYSA-N 2 1 315.436 3.447 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661845773 436207082 /nfs/dbraw/zinc/20/70/82/436207082.db2.gz VVKYDFOIGKMTDY-HOTGVXAUSA-N 2 1 305.466 3.298 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCc2noc3ccccc32)C1 ZINC000653562851 436208394 /nfs/dbraw/zinc/20/83/94/436208394.db2.gz MQBYWXLWIMGMON-MRXNPFEDSA-N 2 1 313.445 3.034 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653562851 436208397 /nfs/dbraw/zinc/20/83/97/436208397.db2.gz MQBYWXLWIMGMON-MRXNPFEDSA-N 2 1 313.445 3.034 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2noc3ccccc32)C1 ZINC000653562851 436208403 /nfs/dbraw/zinc/20/84/03/436208403.db2.gz MQBYWXLWIMGMON-MRXNPFEDSA-N 2 1 313.445 3.034 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2noc3ccccc32)C1 ZINC000653562851 436208406 /nfs/dbraw/zinc/20/84/06/436208406.db2.gz MQBYWXLWIMGMON-MRXNPFEDSA-N 2 1 313.445 3.034 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000653562851 436208410 /nfs/dbraw/zinc/20/84/10/436208410.db2.gz MQBYWXLWIMGMON-MRXNPFEDSA-N 2 1 313.445 3.034 20 0 DGADMP c1c2ccncc2sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000657457472 436212946 /nfs/dbraw/zinc/21/29/46/436212946.db2.gz NTVKCEHKQUAEAW-UHFFFAOYSA-N 2 1 301.459 3.403 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602306 436221599 /nfs/dbraw/zinc/22/15/99/436221599.db2.gz YISSYAAYTUQUOQ-SJORKVTESA-N 2 1 310.457 3.205 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000653602306 436221602 /nfs/dbraw/zinc/22/16/02/436221602.db2.gz YISSYAAYTUQUOQ-SJORKVTESA-N 2 1 310.457 3.205 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657491686 436225282 /nfs/dbraw/zinc/22/52/82/436225282.db2.gz HTKMDAMXYMWEMQ-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2CC2CCC2)CC1 ZINC000662157994 436287906 /nfs/dbraw/zinc/28/79/06/436287906.db2.gz ROYJQYBNKMGULK-FQEVSTJZSA-N 2 1 321.553 3.447 20 0 DGADMP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153684 436288101 /nfs/dbraw/zinc/28/81/01/436288101.db2.gz SBDCWTLXGPEDMG-UZLBHIALSA-N 2 1 316.489 3.402 20 0 DGADMP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153684 436288105 /nfs/dbraw/zinc/28/81/05/436288105.db2.gz SBDCWTLXGPEDMG-UZLBHIALSA-N 2 1 316.489 3.402 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662153717 436289718 /nfs/dbraw/zinc/28/97/18/436289718.db2.gz TUMCWGVWNKKCMX-HKUYNNGSSA-N 2 1 316.489 3.204 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000666852149 436293445 /nfs/dbraw/zinc/29/34/45/436293445.db2.gz LAHJBGPQSRRTCA-ZJUUUORDSA-N 2 1 304.768 3.301 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000666852116 436294039 /nfs/dbraw/zinc/29/40/39/436294039.db2.gz HVGRHDYOCLBHAZ-KGLIPLIRSA-N 2 1 317.458 3.178 20 0 DGADMP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657559939 436244562 /nfs/dbraw/zinc/24/45/62/436244562.db2.gz BOPOJKNVJFHQQB-LJQANCHMSA-N 2 1 316.489 3.446 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)ccc1C[NH+]1CCCCC1 ZINC000662029695 436252042 /nfs/dbraw/zinc/25/20/42/436252042.db2.gz JCTJUBXKGDSXRO-VQTJNVASSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1C[NH+]1CCCCC1 ZINC000662029694 436252080 /nfs/dbraw/zinc/25/20/80/436252080.db2.gz JCTJUBXKGDSXRO-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP Cc1ccc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657595336 436257784 /nfs/dbraw/zinc/25/77/84/436257784.db2.gz OZLLXKJWPVIIGB-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657612416 436258563 /nfs/dbraw/zinc/25/85/63/436258563.db2.gz XHOLWQCSCQVOBG-NXWXRZEISA-N 2 1 302.462 3.197 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657612416 436258567 /nfs/dbraw/zinc/25/85/67/436258567.db2.gz XHOLWQCSCQVOBG-NXWXRZEISA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCc2ccc(F)cc21 ZINC000653779970 436264340 /nfs/dbraw/zinc/26/43/40/436264340.db2.gz MTUSCJIUHSPBKG-CQSZACIVSA-N 2 1 301.409 3.154 20 0 DGADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCc2ccc(F)cc21 ZINC000653779970 436264343 /nfs/dbraw/zinc/26/43/43/436264343.db2.gz MTUSCJIUHSPBKG-CQSZACIVSA-N 2 1 301.409 3.154 20 0 DGADMP CC(C)(C)OCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657636991 436267289 /nfs/dbraw/zinc/26/72/89/436267289.db2.gz CDXXCQYBEJTUPR-UHFFFAOYSA-N 2 1 318.505 3.488 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C1CC1 ZINC000666746539 436275278 /nfs/dbraw/zinc/27/52/78/436275278.db2.gz ZBZJDJZDNCIWOV-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C1CC1 ZINC000666746540 436275310 /nfs/dbraw/zinc/27/53/10/436275310.db2.gz ZBZJDJZDNCIWOV-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP COc1ccc(C2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666770291 436279195 /nfs/dbraw/zinc/27/91/95/436279195.db2.gz RPBAIKFYRUOYNI-VJFUWPCTSA-N 2 1 302.462 3.453 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770562 436279845 /nfs/dbraw/zinc/27/98/45/436279845.db2.gz JOOXSGBQXUICPX-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657967807 436347766 /nfs/dbraw/zinc/34/77/66/436347766.db2.gz SWSMLPPFMKGQGH-WDSOQIARSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]([NH2+]C1CC(CF)(CF)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657968558 436348394 /nfs/dbraw/zinc/34/83/94/436348394.db2.gz BQYHTZMNFOLPJO-KGLIPLIRSA-N 2 1 300.437 3.317 20 0 DGADMP CCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657998989 436352611 /nfs/dbraw/zinc/35/26/11/436352611.db2.gz QMWBDWHGORSLOI-HDYDNRTBSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000662229939 436305510 /nfs/dbraw/zinc/30/55/10/436305510.db2.gz OCNCLCPFDPUBIB-UHFFFAOYSA-N 2 1 309.251 3.073 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255863 436312684 /nfs/dbraw/zinc/31/26/84/436312684.db2.gz FOERTWKOKIQHIH-JJRVBVJISA-N 2 1 322.880 3.285 20 0 DGADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cc2ccccc2o1 ZINC000662255617 436312717 /nfs/dbraw/zinc/31/27/17/436312717.db2.gz YWMLBLULVAISDZ-ZBFHGGJFSA-N 2 1 314.429 3.337 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254497 436313386 /nfs/dbraw/zinc/31/33/86/436313386.db2.gz IXFMSIJGIFLECX-RBUKOAKNSA-N 2 1 314.473 3.433 20 0 DGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662258284 436313665 /nfs/dbraw/zinc/31/36/65/436313665.db2.gz VFVGAVDLCHOGDP-PKOBYXMFSA-N 2 1 314.473 3.351 20 0 DGADMP CCCO[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662257019 436314476 /nfs/dbraw/zinc/31/44/76/436314476.db2.gz LMQYCFSKTAYHJY-SFHVURJKSA-N 2 1 302.462 3.113 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662263963 436316250 /nfs/dbraw/zinc/31/62/50/436316250.db2.gz GLTPJHSZJGKFOQ-UHFFFAOYSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+](Cc1cccc(F)c1OC(F)F)C1CC[NH2+]CC1 ZINC000662262701 436317812 /nfs/dbraw/zinc/31/78/12/436317812.db2.gz ISGWIFNAHPTLBJ-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP CCC[N@@H+](Cc1cccc(F)c1OC(F)F)C1CC[NH2+]CC1 ZINC000662262701 436317815 /nfs/dbraw/zinc/31/78/15/436317815.db2.gz ISGWIFNAHPTLBJ-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000662264757 436317866 /nfs/dbraw/zinc/31/78/66/436317866.db2.gz KWWKUUHPHKVQIY-GDBMZVCRSA-N 2 1 315.486 3.303 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000662276201 436320996 /nfs/dbraw/zinc/32/09/96/436320996.db2.gz KSXLDWLEPHIQBN-YOEHRIQHSA-N 2 1 308.466 3.382 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662273768 436321283 /nfs/dbraw/zinc/32/12/83/436321283.db2.gz ZYOCLHLOFBYBPB-LBPRGKRZSA-N 2 1 300.418 3.118 20 0 DGADMP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000662275484 436321743 /nfs/dbraw/zinc/32/17/43/436321743.db2.gz DIMMTEVFNMYOKC-HIFRSBDPSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000662275484 436321746 /nfs/dbraw/zinc/32/17/46/436321746.db2.gz DIMMTEVFNMYOKC-HIFRSBDPSA-N 2 1 308.853 3.313 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000662273333 436322173 /nfs/dbraw/zinc/32/21/73/436322173.db2.gz MDQDNEFKBXLOMZ-CABCVRRESA-N 2 1 315.486 3.160 20 0 DGADMP CN(C)c1cccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662280360 436322361 /nfs/dbraw/zinc/32/23/61/436322361.db2.gz OLOFJYIDPWDILX-UHFFFAOYSA-N 2 1 309.457 3.030 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nsc2c1 ZINC000662273334 436322435 /nfs/dbraw/zinc/32/24/35/436322435.db2.gz MDQDNEFKBXLOMZ-GJZGRUSLSA-N 2 1 315.486 3.160 20 0 DGADMP Brc1csc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666999386 436322424 /nfs/dbraw/zinc/32/24/24/436322424.db2.gz BLWFNURAVNNTKY-LLVKDONJSA-N 2 1 315.280 3.275 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000666995370 436322659 /nfs/dbraw/zinc/32/26/59/436322659.db2.gz LNVPRRNVAOZODH-QRQLOZEOSA-N 2 1 313.489 3.086 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cncc(Br)c1 ZINC000657839756 436323913 /nfs/dbraw/zinc/32/39/13/436323913.db2.gz FUDUDDWQOTZGOA-TUKIKUTGSA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cncc(Br)c1 ZINC000657839756 436323916 /nfs/dbraw/zinc/32/39/16/436323916.db2.gz FUDUDDWQOTZGOA-TUKIKUTGSA-N 2 1 324.266 3.122 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCc1nsc3ccccc31)CC[NH2+]CC2 ZINC000662282684 436324478 /nfs/dbraw/zinc/32/44/78/436324478.db2.gz JDZYGLGVKKGCKE-AWEZNQCLSA-N 2 1 315.486 3.303 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1F ZINC000657849495 436324977 /nfs/dbraw/zinc/32/49/77/436324977.db2.gz BAKHAFLBUJTAPA-UHFFFAOYSA-N 2 1 323.362 3.497 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)noc2c1 ZINC000662295909 436326566 /nfs/dbraw/zinc/32/65/66/436326566.db2.gz WTVLZVLEYKQIKU-INIZCTEOSA-N 2 1 313.445 3.082 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662311504 436327007 /nfs/dbraw/zinc/32/70/07/436327007.db2.gz UAAWILRMSSWDCV-WMLDXEAASA-N 2 1 322.880 3.492 20 0 DGADMP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1Br ZINC000667030396 436329262 /nfs/dbraw/zinc/32/92/62/436329262.db2.gz YHXKYEPMQLWMMP-QWHCGFSZSA-N 2 1 311.267 3.235 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)[C@@H]1CCC[NH3+] ZINC000662313528 436329267 /nfs/dbraw/zinc/32/92/67/436329267.db2.gz UJQTWRACLSIDTD-CZUORRHYSA-N 2 1 323.868 3.118 20 0 DGADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316870 436329303 /nfs/dbraw/zinc/32/93/03/436329303.db2.gz XVLBGLBSZBRWAA-CRAIPNDOSA-N 2 1 317.477 3.027 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CCO1 ZINC000662326685 436331031 /nfs/dbraw/zinc/33/10/31/436331031.db2.gz YWNARIFSPGRDBF-RBUKOAKNSA-N 2 1 316.489 3.149 20 0 DGADMP Cc1cc(C)c(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)n1 ZINC000654087746 436340790 /nfs/dbraw/zinc/34/07/90/436340790.db2.gz LTNVHZDAIIAPKO-JKSUJKDBSA-N 2 1 316.449 3.145 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091644 436371554 /nfs/dbraw/zinc/37/15/54/436371554.db2.gz MUMZSSBATNAEJH-RDJZCZTQSA-N 2 1 317.477 3.175 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091644 436371556 /nfs/dbraw/zinc/37/15/56/436371556.db2.gz MUMZSSBATNAEJH-RDJZCZTQSA-N 2 1 317.477 3.175 20 0 DGADMP C[C@@H]([NH2+]CC(F)(F)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000658116385 436381053 /nfs/dbraw/zinc/38/10/53/436381053.db2.gz KNDBSJOUOAGFPG-GFCCVEGCSA-N 2 1 300.368 3.237 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[C@@H]1C ZINC000658139584 436386035 /nfs/dbraw/zinc/38/60/35/436386035.db2.gz QFUOCKCFHYXNKZ-YKCBXCCJSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658141149 436387575 /nfs/dbraw/zinc/38/75/75/436387575.db2.gz RJBKTMZJXQOQFE-KBXCAEBGSA-N 2 1 316.470 3.166 20 0 DGADMP COC[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663065443 436410507 /nfs/dbraw/zinc/41/05/07/436410507.db2.gz PRPDCQWOSCSMLE-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000658171028 436393960 /nfs/dbraw/zinc/39/39/60/436393960.db2.gz WBJNRGQQTAWWGE-BLLLJJGKSA-N 2 1 321.371 3.256 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000658222448 436403598 /nfs/dbraw/zinc/40/35/98/436403598.db2.gz XFHXRWIPWGTDQZ-CUDHKJQZSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCOC1(C)C ZINC000658330008 436431368 /nfs/dbraw/zinc/43/13/68/436431368.db2.gz GZJONUXCQGSQNU-QRQLOZEOSA-N 2 1 316.489 3.302 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(F)c1F ZINC000663345962 436442192 /nfs/dbraw/zinc/44/21/92/436442192.db2.gz PPEROIHMVJTYLV-ZDUSSCGKSA-N 2 1 312.379 3.316 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(F)c1F ZINC000663345962 436442196 /nfs/dbraw/zinc/44/21/96/436442196.db2.gz PPEROIHMVJTYLV-ZDUSSCGKSA-N 2 1 312.379 3.316 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663343946 436443206 /nfs/dbraw/zinc/44/32/06/436443206.db2.gz KJYSEEKUQUCEFF-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000663343946 436443210 /nfs/dbraw/zinc/44/32/10/436443210.db2.gz KJYSEEKUQUCEFF-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343876 436443441 /nfs/dbraw/zinc/44/34/41/436443441.db2.gz IKSLWTKIMSCJPI-AWEZNQCLSA-N 2 1 305.491 3.232 20 0 DGADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343876 436443445 /nfs/dbraw/zinc/44/34/45/436443445.db2.gz IKSLWTKIMSCJPI-AWEZNQCLSA-N 2 1 305.491 3.232 20 0 DGADMP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347670 436444182 /nfs/dbraw/zinc/44/41/82/436444182.db2.gz RSGKABBDQSFMID-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471837 436467450 /nfs/dbraw/zinc/46/74/50/436467450.db2.gz YQRFQDDCZGFVJZ-RDJZCZTQSA-N 2 1 302.462 3.468 20 0 DGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471837 436467452 /nfs/dbraw/zinc/46/74/52/436467452.db2.gz YQRFQDDCZGFVJZ-RDJZCZTQSA-N 2 1 302.462 3.468 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663466883 436464493 /nfs/dbraw/zinc/46/44/93/436464493.db2.gz AWXFUTTVODVITM-FGTMMUONSA-N 2 1 306.494 3.046 20 0 DGADMP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470185 436465821 /nfs/dbraw/zinc/46/58/21/436465821.db2.gz SSXMYOVLFVUPOY-GOSISDBHSA-N 2 1 320.521 3.437 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658288259 436419102 /nfs/dbraw/zinc/41/91/02/436419102.db2.gz SDUOJCGBBWPQNJ-NZSAHSFTSA-N 2 1 307.526 3.103 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000658288770 436419272 /nfs/dbraw/zinc/41/92/72/436419272.db2.gz ZCLURDHUHSNILI-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000663504250 436471386 /nfs/dbraw/zinc/47/13/86/436471386.db2.gz WVPMRYOUBJMWMB-STQMWFEESA-N 2 1 323.278 3.461 20 0 DGADMP Cc1ccc([C@@H]2CCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659951419 436565659 /nfs/dbraw/zinc/56/56/59/436565659.db2.gz FXOLSNQHUTYOBU-OALUTQOASA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@@H]2CCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659951419 436565662 /nfs/dbraw/zinc/56/56/62/436565662.db2.gz FXOLSNQHUTYOBU-OALUTQOASA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951419 436565666 /nfs/dbraw/zinc/56/56/66/436565666.db2.gz FXOLSNQHUTYOBU-OALUTQOASA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951419 436565670 /nfs/dbraw/zinc/56/56/70/436565670.db2.gz FXOLSNQHUTYOBU-OALUTQOASA-N 2 1 304.478 3.223 20 0 DGADMP c1ccc(COCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000659957470 436568000 /nfs/dbraw/zinc/56/80/00/436568000.db2.gz SQZILSRPKRMXKX-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP c1ccc(COCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000659957470 436568003 /nfs/dbraw/zinc/56/80/03/436568003.db2.gz SQZILSRPKRMXKX-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000659972875 436570385 /nfs/dbraw/zinc/57/03/85/436570385.db2.gz ZBYQNNCHDJAYNH-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972875 436570391 /nfs/dbraw/zinc/57/03/91/436570391.db2.gz ZBYQNNCHDJAYNH-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000659972875 436570394 /nfs/dbraw/zinc/57/03/94/436570394.db2.gz ZBYQNNCHDJAYNH-ICSRJNTNSA-N 2 1 316.489 3.255 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659989339 436573894 /nfs/dbraw/zinc/57/38/94/436573894.db2.gz IZPMHUPKDCOESJ-CQSZACIVSA-N 2 1 303.475 3.112 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659989339 436573899 /nfs/dbraw/zinc/57/38/99/436573899.db2.gz IZPMHUPKDCOESJ-CQSZACIVSA-N 2 1 303.475 3.112 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000659989339 436573905 /nfs/dbraw/zinc/57/39/05/436573905.db2.gz IZPMHUPKDCOESJ-CQSZACIVSA-N 2 1 303.475 3.112 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000659989339 436573908 /nfs/dbraw/zinc/57/39/08/436573908.db2.gz IZPMHUPKDCOESJ-CQSZACIVSA-N 2 1 303.475 3.112 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000655693050 436576285 /nfs/dbraw/zinc/57/62/85/436576285.db2.gz ZYWCFDYCMRDSIH-OWCLPIDISA-N 2 1 304.482 3.194 20 0 DGADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000660255733 436614090 /nfs/dbraw/zinc/61/40/90/436614090.db2.gz FRUHMEVRRUKVLR-SZVBFZGTSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256969 436614992 /nfs/dbraw/zinc/61/49/92/436614992.db2.gz OZPRCMYCDWLVPP-YOEHRIQHSA-N 2 1 312.461 3.306 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000660304948 436620548 /nfs/dbraw/zinc/62/05/48/436620548.db2.gz HWRJKENYOHOMQF-VBSBHUPXSA-N 2 1 316.489 3.269 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCC1 ZINC000660305296 436621169 /nfs/dbraw/zinc/62/11/69/436621169.db2.gz KCUWGXLQKKDRML-FFZOFVMBSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cccc(NCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000133512408 312669924 /nfs/dbraw/zinc/66/99/24/312669924.db2.gz GCGMICDJAZPCTB-UHFFFAOYSA-N 2 1 324.472 3.056 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727699 313067392 /nfs/dbraw/zinc/06/73/92/313067392.db2.gz HRVGZBXVGPORHS-QUCCMNQESA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727699 313067395 /nfs/dbraw/zinc/06/73/95/313067395.db2.gz HRVGZBXVGPORHS-QUCCMNQESA-N 2 1 314.473 3.331 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727699 313067398 /nfs/dbraw/zinc/06/73/98/313067398.db2.gz HRVGZBXVGPORHS-QUCCMNQESA-N 2 1 314.473 3.331 20 0 DGADMP COc1ccc([C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)cn1 ZINC000528852265 313098926 /nfs/dbraw/zinc/09/89/26/313098926.db2.gz ZROVZXREURSBMX-SJLPKXTDSA-N 2 1 303.450 3.005 20 0 DGADMP COc1ccc([C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C2CC2)cn1 ZINC000528852265 313098928 /nfs/dbraw/zinc/09/89/28/313098928.db2.gz ZROVZXREURSBMX-SJLPKXTDSA-N 2 1 303.450 3.005 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCC[C@H](C)C1 ZINC000542085570 314055925 /nfs/dbraw/zinc/05/59/25/314055925.db2.gz LKIAVNCZPAWSHQ-TXJVSEOTSA-N 2 1 318.505 3.375 20 0 DGADMP C[C@@H](O)[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000542819918 314101293 /nfs/dbraw/zinc/10/12/93/314101293.db2.gz NWTBTEXQXUGPAG-IEBWSBKVSA-N 2 1 318.505 3.237 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000543196989 314119947 /nfs/dbraw/zinc/11/99/47/314119947.db2.gz VIKXEAGIXCFZIE-UHFFFAOYSA-N 2 1 302.462 3.242 20 0 DGADMP Cc1ccc(C)c(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000543196989 314119949 /nfs/dbraw/zinc/11/99/49/314119949.db2.gz VIKXEAGIXCFZIE-UHFFFAOYSA-N 2 1 302.462 3.242 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000543597034 314144118 /nfs/dbraw/zinc/14/41/18/314144118.db2.gz VMGFGTRIBMXLLO-IBGZPJMESA-N 2 1 321.428 3.141 20 0 DGADMP CC(C)(C)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000543704040 314150218 /nfs/dbraw/zinc/15/02/18/314150218.db2.gz WUEHZHUXXMXQOE-UHFFFAOYSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000545310336 314243441 /nfs/dbraw/zinc/24/34/41/314243441.db2.gz LDTZXWYJTUGERS-BVBHFADKSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000545310336 314243444 /nfs/dbraw/zinc/24/34/44/314243444.db2.gz LDTZXWYJTUGERS-BVBHFADKSA-N 2 1 316.489 3.300 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000547016354 314340373 /nfs/dbraw/zinc/34/03/73/314340373.db2.gz PPIKNZGAOIQJII-HNNXBMFYSA-N 2 1 322.468 3.429 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000547016354 314340374 /nfs/dbraw/zinc/34/03/74/314340374.db2.gz PPIKNZGAOIQJII-HNNXBMFYSA-N 2 1 322.468 3.429 20 0 DGADMP CCCC[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547429832 314367051 /nfs/dbraw/zinc/36/70/51/314367051.db2.gz OINSNDSCUCIBSW-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3CCC(C)CC3)CC2)nc(C)[nH+]1 ZINC000558183732 314832084 /nfs/dbraw/zinc/83/20/84/314832084.db2.gz PWUHIOSTVMXJHC-UHFFFAOYSA-N 2 1 302.466 3.231 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C2CC2)C2CC2)[C@@H](C)C1 ZINC000562318249 315009133 /nfs/dbraw/zinc/00/91/33/315009133.db2.gz OWGTYOLGKVLQQF-HNAYVOBHSA-N 2 1 308.510 3.149 20 0 DGADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CCCC1 ZINC000562986907 315067361 /nfs/dbraw/zinc/06/73/61/315067361.db2.gz CTOWLWKIHSBMBS-UHFFFAOYSA-N 2 1 323.868 3.133 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000563135485 315082754 /nfs/dbraw/zinc/08/27/54/315082754.db2.gz LAXSXEBXWMZGFK-RBUKOAKNSA-N 2 1 322.452 3.404 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000563350404 315104530 /nfs/dbraw/zinc/10/45/30/315104530.db2.gz OIASRZXMHCZRDK-GOEBONIOSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000563350404 315104532 /nfs/dbraw/zinc/10/45/32/315104532.db2.gz OIASRZXMHCZRDK-GOEBONIOSA-N 2 1 306.450 3.186 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000564428784 315175933 /nfs/dbraw/zinc/17/59/33/315175933.db2.gz XTABDBUIUCSYFS-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000564428784 315175934 /nfs/dbraw/zinc/17/59/34/315175934.db2.gz XTABDBUIUCSYFS-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000564690519 315191751 /nfs/dbraw/zinc/19/17/51/315191751.db2.gz VWRGIUXWFBDIIG-BRWVUGGUSA-N 2 1 301.478 3.130 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000564735156 315196035 /nfs/dbraw/zinc/19/60/35/315196035.db2.gz OQPOIGAVHNJSMN-SQNIBIBYSA-N 2 1 302.462 3.306 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000564793482 315199971 /nfs/dbraw/zinc/19/99/71/315199971.db2.gz WDNRKDSYNCNTLC-BMGDILEWSA-N 2 1 321.896 3.194 20 0 DGADMP Cc1cnccc1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000564904637 315211212 /nfs/dbraw/zinc/21/12/12/315211212.db2.gz CNKGZNKNLLODRV-UHFFFAOYSA-N 2 1 324.472 3.345 20 0 DGADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000566091179 315311673 /nfs/dbraw/zinc/31/16/73/315311673.db2.gz WHGXXHRSFXMYIS-PKOBYXMFSA-N 2 1 320.440 3.188 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCCOC3)C2)s1 ZINC000566306727 315333544 /nfs/dbraw/zinc/33/35/44/315333544.db2.gz WWEURBIEVRKDQE-SJORKVTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCOC3)C2)s1 ZINC000566306727 315333548 /nfs/dbraw/zinc/33/35/48/315333548.db2.gz WWEURBIEVRKDQE-SJORKVTESA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCOC3)C2)s1 ZINC000566306727 315333551 /nfs/dbraw/zinc/33/35/51/315333551.db2.gz WWEURBIEVRKDQE-SJORKVTESA-N 2 1 322.518 3.237 20 0 DGADMP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000567470812 315424113 /nfs/dbraw/zinc/42/41/13/315424113.db2.gz LVTXTVADCDUVEB-UHFFFAOYSA-N 2 1 301.478 3.343 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251242 316046014 /nfs/dbraw/zinc/04/60/14/316046014.db2.gz AMBGHZOYYKVLFC-UWWQBHOKSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251242 316046016 /nfs/dbraw/zinc/04/60/16/316046016.db2.gz AMBGHZOYYKVLFC-UWWQBHOKSA-N 2 1 322.880 3.021 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169367 316102584 /nfs/dbraw/zinc/10/25/84/316102584.db2.gz HHKXIQDVWDYBSA-VQIMIIECSA-N 2 1 304.478 3.162 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169367 316102587 /nfs/dbraw/zinc/10/25/87/316102587.db2.gz HHKXIQDVWDYBSA-VQIMIIECSA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169367 316102592 /nfs/dbraw/zinc/10/25/92/316102592.db2.gz HHKXIQDVWDYBSA-VQIMIIECSA-N 2 1 304.478 3.162 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000576169367 316102595 /nfs/dbraw/zinc/10/25/95/316102595.db2.gz HHKXIQDVWDYBSA-VQIMIIECSA-N 2 1 304.478 3.162 20 0 DGADMP Cc1cccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506658 316137162 /nfs/dbraw/zinc/13/71/62/316137162.db2.gz SEGCVURRSQIFGV-ZWKOTPCHSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1cccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C)c1 ZINC000576506658 316137165 /nfs/dbraw/zinc/13/71/65/316137165.db2.gz SEGCVURRSQIFGV-ZWKOTPCHSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc2cccnc12 ZINC000576594571 316147445 /nfs/dbraw/zinc/14/74/45/316147445.db2.gz ODXDEQBDGMSLIE-MOPGFXCFSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc2cccnc12 ZINC000576594571 316147447 /nfs/dbraw/zinc/14/74/47/316147447.db2.gz ODXDEQBDGMSLIE-MOPGFXCFSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc2cccnc12 ZINC000576594571 316147448 /nfs/dbraw/zinc/14/74/48/316147448.db2.gz ODXDEQBDGMSLIE-MOPGFXCFSA-N 2 1 309.457 3.459 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000577094522 316201580 /nfs/dbraw/zinc/20/15/80/316201580.db2.gz LQLBJTZQNGWLBB-INIZCTEOSA-N 2 1 314.477 3.448 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCc2cncn2C)C1(CC)CC ZINC000577408450 316233126 /nfs/dbraw/zinc/23/31/26/316233126.db2.gz XXAJBWMJIPQVNB-IRXDYDNUSA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408450 316233128 /nfs/dbraw/zinc/23/31/28/316233128.db2.gz XXAJBWMJIPQVNB-IRXDYDNUSA-N 2 1 307.482 3.268 20 0 DGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(CC)CC ZINC000577408450 316233130 /nfs/dbraw/zinc/23/31/30/316233130.db2.gz XXAJBWMJIPQVNB-IRXDYDNUSA-N 2 1 307.482 3.268 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000577795601 316271070 /nfs/dbraw/zinc/27/10/70/316271070.db2.gz MZLFOCNZPYRAAB-YYIAUSFCSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000577795601 316271076 /nfs/dbraw/zinc/27/10/76/316271076.db2.gz MZLFOCNZPYRAAB-YYIAUSFCSA-N 2 1 312.498 3.064 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OCC ZINC000578070001 316301137 /nfs/dbraw/zinc/30/11/37/316301137.db2.gz BFNGUFUQTAQPPP-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OCC ZINC000578070001 316301142 /nfs/dbraw/zinc/30/11/42/316301142.db2.gz BFNGUFUQTAQPPP-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179835862 323215762 /nfs/dbraw/zinc/21/57/62/323215762.db2.gz MAPXTSXAJCJKCD-HNNXBMFYSA-N 2 1 317.437 3.219 20 0 DGADMP Cn1ccnc1[C@@H](NCCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000183239477 323330806 /nfs/dbraw/zinc/33/08/06/323330806.db2.gz MBAVCZWJTHIHQO-KRWDZBQOSA-N 2 1 304.482 3.115 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[NH+]1CCCCC1 ZINC000184501397 323366949 /nfs/dbraw/zinc/36/69/49/323366949.db2.gz RBAFXIVNFANNRG-HOTGVXAUSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682267 323393252 /nfs/dbraw/zinc/39/32/52/323393252.db2.gz YISRRHCCYDPXEL-FUHWJXTLSA-N 2 1 315.505 3.495 20 0 DGADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000578766599 323780549 /nfs/dbraw/zinc/78/05/49/323780549.db2.gz BLTTYCXTFZJHRS-HOJAQTOUSA-N 2 1 307.441 3.339 20 0 DGADMP Cc1ccccc1-n1nccc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000580860560 324046815 /nfs/dbraw/zinc/04/68/15/324046815.db2.gz GTPSNJRQXLRPGS-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000580860560 324046817 /nfs/dbraw/zinc/04/68/17/324046817.db2.gz GTPSNJRQXLRPGS-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000580860560 324046818 /nfs/dbraw/zinc/04/68/18/324046818.db2.gz GTPSNJRQXLRPGS-KRWDZBQOSA-N 2 1 312.461 3.001 20 0 DGADMP CC1CCC(O)(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000580947891 324056622 /nfs/dbraw/zinc/05/66/22/324056622.db2.gz SBGGXRTYLIBSTH-SKINQDTJSA-N 2 1 316.489 3.039 20 0 DGADMP CS[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000581291829 324100666 /nfs/dbraw/zinc/10/06/66/324100666.db2.gz DEPTWEVLWUYMTP-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581489541 324122514 /nfs/dbraw/zinc/12/25/14/324122514.db2.gz JWUKQJWZANVMCD-MSOLQXFVSA-N 2 1 310.441 3.150 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000582092200 324187553 /nfs/dbraw/zinc/18/75/53/324187553.db2.gz FRIMFMZVNDCJFO-DOTOQJQBSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000582092200 324187557 /nfs/dbraw/zinc/18/75/57/324187557.db2.gz FRIMFMZVNDCJFO-DOTOQJQBSA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000582575779 324247172 /nfs/dbraw/zinc/24/71/72/324247172.db2.gz GZVAUTCIZHOQJD-QGZVFWFLSA-N 2 1 303.494 3.365 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000582575779 324247175 /nfs/dbraw/zinc/24/71/75/324247175.db2.gz GZVAUTCIZHOQJD-QGZVFWFLSA-N 2 1 303.494 3.365 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000582601908 324250997 /nfs/dbraw/zinc/25/09/97/324250997.db2.gz ZUESBRJRMHJGKD-OUNSHVDWSA-N 2 1 316.489 3.005 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000582601908 324251000 /nfs/dbraw/zinc/25/10/00/324251000.db2.gz ZUESBRJRMHJGKD-OUNSHVDWSA-N 2 1 316.489 3.005 20 0 DGADMP CC(C)COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582632234 324255392 /nfs/dbraw/zinc/25/53/92/324255392.db2.gz ANZUCLMRMDALQY-APWZRJJASA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582632234 324255395 /nfs/dbraw/zinc/25/53/95/324255395.db2.gz ANZUCLMRMDALQY-APWZRJJASA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000582632234 324255400 /nfs/dbraw/zinc/25/54/00/324255400.db2.gz ANZUCLMRMDALQY-APWZRJJASA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000582632234 324255403 /nfs/dbraw/zinc/25/54/03/324255403.db2.gz ANZUCLMRMDALQY-APWZRJJASA-N 2 1 304.478 3.493 20 0 DGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932844 324292236 /nfs/dbraw/zinc/29/22/36/324292236.db2.gz VHNCOTKDAHLAQE-CZUORRHYSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932844 324292239 /nfs/dbraw/zinc/29/22/39/324292239.db2.gz VHNCOTKDAHLAQE-CZUORRHYSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932844 324292243 /nfs/dbraw/zinc/29/22/43/324292243.db2.gz VHNCOTKDAHLAQE-CZUORRHYSA-N 2 1 312.404 3.103 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000582932844 324292245 /nfs/dbraw/zinc/29/22/45/324292245.db2.gz VHNCOTKDAHLAQE-CZUORRHYSA-N 2 1 312.404 3.103 20 0 DGADMP C=Cn1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000583421161 324351750 /nfs/dbraw/zinc/35/17/50/324351750.db2.gz KTCYZDZXILJSBR-HKUYNNGSSA-N 2 1 324.472 3.374 20 0 DGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432416083 533710725 /nfs/dbraw/zinc/71/07/25/533710725.db2.gz FKGNUVFEBNGLBA-ZWKOTPCHSA-N 2 1 304.478 3.455 20 0 DGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432416081 533710815 /nfs/dbraw/zinc/71/08/15/533710815.db2.gz FKGNUVFEBNGLBA-QZTJIDSGSA-N 2 1 304.478 3.455 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437326 337325142 /nfs/dbraw/zinc/32/51/42/337325142.db2.gz DHTOCRUHOBXNOJ-GUYCJALGSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437326 337325143 /nfs/dbraw/zinc/32/51/43/337325143.db2.gz DHTOCRUHOBXNOJ-GUYCJALGSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437326 337325144 /nfs/dbraw/zinc/32/51/44/337325144.db2.gz DHTOCRUHOBXNOJ-GUYCJALGSA-N 2 1 302.393 3.488 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000435447764 533743756 /nfs/dbraw/zinc/74/37/56/533743756.db2.gz REEPFHJRMPDHSR-GDBMZVCRSA-N 2 1 308.441 3.087 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000442920605 533776742 /nfs/dbraw/zinc/77/67/42/533776742.db2.gz HEAGLLFSEVMJSJ-GJZGRUSLSA-N 2 1 308.441 3.074 20 0 DGADMP COc1cc(C[NH+](C)CC2CC2)cc(C[N@@H+](C)CC2CC2)c1 ZINC000432924499 533781014 /nfs/dbraw/zinc/78/10/14/533781014.db2.gz MBYASOVOEURTFX-UHFFFAOYSA-N 2 1 302.462 3.379 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000415118640 534042745 /nfs/dbraw/zinc/04/27/45/534042745.db2.gz DUFYIUPRMPXREI-HIFRSBDPSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751165 534081652 /nfs/dbraw/zinc/08/16/52/534081652.db2.gz BSLREUOUULKWFH-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000442751165 534081659 /nfs/dbraw/zinc/08/16/59/534081659.db2.gz BSLREUOUULKWFH-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429438018 534087871 /nfs/dbraw/zinc/08/78/71/534087871.db2.gz QVPLLUYVOUWJER-WVZRYYJFSA-N 2 1 310.869 3.426 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2)n1 ZINC000430559184 534095333 /nfs/dbraw/zinc/09/53/33/534095333.db2.gz ZVNXWOPCQBOJOJ-SJLPKXTDSA-N 2 1 312.461 3.048 20 0 DGADMP Fc1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)c1 ZINC000415051552 534513186 /nfs/dbraw/zinc/51/31/86/534513186.db2.gz ZWOOGTJUJCXFIA-OAHLLOKOSA-N 2 1 320.433 3.022 20 0 DGADMP Fc1cccc(Oc2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cn2)c1 ZINC000415109569 534526028 /nfs/dbraw/zinc/52/60/28/534526028.db2.gz PSMWOBDGJUUJEV-AWEZNQCLSA-N 2 1 315.392 3.102 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Br)cs1)C1CCCC1 ZINC000415040024 534675430 /nfs/dbraw/zinc/67/54/30/534675430.db2.gz JOLVRSIGRHUJHS-GFCCVEGCSA-N 2 1 303.269 3.118 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441331889 534680544 /nfs/dbraw/zinc/68/05/44/534680544.db2.gz PJPSDOQMKAHUFL-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441331889 534680548 /nfs/dbraw/zinc/68/05/48/534680548.db2.gz PJPSDOQMKAHUFL-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441331889 534680555 /nfs/dbraw/zinc/68/05/55/534680555.db2.gz PJPSDOQMKAHUFL-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441331889 534680561 /nfs/dbraw/zinc/68/05/61/534680561.db2.gz PJPSDOQMKAHUFL-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441331890 534682017 /nfs/dbraw/zinc/68/20/17/534682017.db2.gz PJPSDOQMKAHUFL-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441331890 534682021 /nfs/dbraw/zinc/68/20/21/534682021.db2.gz PJPSDOQMKAHUFL-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441331890 534682023 /nfs/dbraw/zinc/68/20/23/534682023.db2.gz PJPSDOQMKAHUFL-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441331890 534682030 /nfs/dbraw/zinc/68/20/30/534682030.db2.gz PJPSDOQMKAHUFL-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430924300 534691637 /nfs/dbraw/zinc/69/16/37/534691637.db2.gz ACNXUMONQHYHSF-MRXNPFEDSA-N 2 1 312.413 3.138 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045055 526794804 /nfs/dbraw/zinc/79/48/04/526794804.db2.gz OMFRURUFOYARMN-MAUKXSAKSA-N 2 1 302.462 3.047 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045055 526794810 /nfs/dbraw/zinc/79/48/10/526794810.db2.gz OMFRURUFOYARMN-MAUKXSAKSA-N 2 1 302.462 3.047 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045054 526794819 /nfs/dbraw/zinc/79/48/19/526794819.db2.gz OMFRURUFOYARMN-CRAIPNDOSA-N 2 1 302.462 3.047 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045054 526794827 /nfs/dbraw/zinc/79/48/27/526794827.db2.gz OMFRURUFOYARMN-CRAIPNDOSA-N 2 1 302.462 3.047 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000443059302 527170805 /nfs/dbraw/zinc/17/08/05/527170805.db2.gz MIIKETIVRWQEOI-QGZVFWFLSA-N 2 1 302.462 3.375 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000431070710 527259173 /nfs/dbraw/zinc/25/91/73/527259173.db2.gz QZBQXNJCQVUUQN-OAHLLOKOSA-N 2 1 314.433 3.033 20 0 DGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000431070710 527259176 /nfs/dbraw/zinc/25/91/76/527259176.db2.gz QZBQXNJCQVUUQN-OAHLLOKOSA-N 2 1 314.433 3.033 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccccc2)CC1 ZINC000435239286 527710838 /nfs/dbraw/zinc/71/08/38/527710838.db2.gz JKXBIJJUMGNYMC-UHFFFAOYSA-N 2 1 323.484 3.461 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442781480 527954836 /nfs/dbraw/zinc/95/48/36/527954836.db2.gz JAHPFCZXBZWTNE-UHFFFAOYSA-N 2 1 318.452 3.289 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295696417 527973655 /nfs/dbraw/zinc/97/36/55/527973655.db2.gz MCDQBUWNXGGZNU-SFHVURJKSA-N 2 1 318.505 3.372 20 0 DGADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(N(C)C)n1)c1ccccc1 ZINC000320851368 528248205 /nfs/dbraw/zinc/24/82/05/528248205.db2.gz FRDGBBZEYCLCTR-INIZCTEOSA-N 2 1 313.449 3.038 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC ZINC000415053846 528262766 /nfs/dbraw/zinc/26/27/66/528262766.db2.gz PEDLDOUFSQZHQQ-SJORKVTESA-N 2 1 318.461 3.058 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415073368 528388646 /nfs/dbraw/zinc/38/86/46/528388646.db2.gz YJMUZRSDUVYGBZ-UHFFFAOYSA-N 2 1 312.461 3.227 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OCC ZINC000415062505 528460484 /nfs/dbraw/zinc/46/04/84/528460484.db2.gz FMTSSYZMDUKYTH-INIZCTEOSA-N 2 1 306.450 3.091 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC ZINC000415059123 528626149 /nfs/dbraw/zinc/62/61/49/528626149.db2.gz WROAMFOUZXPPKH-INIZCTEOSA-N 2 1 306.450 3.091 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415102595 528653245 /nfs/dbraw/zinc/65/32/45/528653245.db2.gz CMUYAKZWCCGILS-RDJZCZTQSA-N 2 1 320.477 3.291 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415102590 528653447 /nfs/dbraw/zinc/65/34/47/528653447.db2.gz CMUYAKZWCCGILS-DOTOQJQBSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000415130985 528662111 /nfs/dbraw/zinc/66/21/11/528662111.db2.gz RPWPUOFISCSMIC-NVXWUHKLSA-N 2 1 320.477 3.291 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309651701 528768220 /nfs/dbraw/zinc/76/82/20/528768220.db2.gz GVSICSULSQOZCE-AABGKKOBSA-N 2 1 316.489 3.302 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1c(C)noc1C ZINC000429248837 528864101 /nfs/dbraw/zinc/86/41/01/528864101.db2.gz OURZDUJONLRSFP-UHFFFAOYSA-N 2 1 304.438 3.005 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1c(C)noc1C ZINC000429248837 528864108 /nfs/dbraw/zinc/86/41/08/528864108.db2.gz OURZDUJONLRSFP-UHFFFAOYSA-N 2 1 304.438 3.005 20 0 DGADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000433132496 528993857 /nfs/dbraw/zinc/99/38/57/528993857.db2.gz BYHYSOWNBUQRRM-YJBOKZPZSA-N 2 1 317.477 3.088 20 0 DGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000295025246 529208397 /nfs/dbraw/zinc/20/83/97/529208397.db2.gz NZQNVEZXXKZWBW-FCGDIQPGSA-N 2 1 316.489 3.321 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000430712456 529339964 /nfs/dbraw/zinc/33/99/64/529339964.db2.gz ZUXXWZISVQICDA-RCCFBDPRSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449214589 535078346 /nfs/dbraw/zinc/07/83/46/535078346.db2.gz XCMRDAROOXXTPP-KRWDZBQOSA-N 2 1 318.509 3.456 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449214589 535078349 /nfs/dbraw/zinc/07/83/49/535078349.db2.gz XCMRDAROOXXTPP-KRWDZBQOSA-N 2 1 318.509 3.456 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000459389327 535282011 /nfs/dbraw/zinc/28/20/11/535282011.db2.gz HJJQSUPNVLTEBY-CQSZACIVSA-N 2 1 317.433 3.111 20 0 DGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551511 535384623 /nfs/dbraw/zinc/38/46/23/535384623.db2.gz DOXYVJVBJQRHLT-QUCCMNQESA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551511 535384624 /nfs/dbraw/zinc/38/46/24/535384624.db2.gz DOXYVJVBJQRHLT-QUCCMNQESA-N 2 1 318.505 3.428 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490053860 536357243 /nfs/dbraw/zinc/35/72/43/536357243.db2.gz ATLYEUDOAWVPMT-MOPGFXCFSA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490053860 536357246 /nfs/dbraw/zinc/35/72/46/536357246.db2.gz ATLYEUDOAWVPMT-MOPGFXCFSA-N 2 1 301.478 3.437 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490053860 536357248 /nfs/dbraw/zinc/35/72/48/536357248.db2.gz ATLYEUDOAWVPMT-MOPGFXCFSA-N 2 1 301.478 3.437 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000459725135 536384622 /nfs/dbraw/zinc/38/46/22/536384622.db2.gz FPECGFKTRFHZFC-CQSZACIVSA-N 2 1 316.424 3.037 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000453439185 536886457 /nfs/dbraw/zinc/88/64/57/536886457.db2.gz VZSBDBXOBMRANP-CQSZACIVSA-N 2 1 306.450 3.229 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090881615 545830816 /nfs/dbraw/zinc/83/08/16/545830816.db2.gz QPUVLIGYUUVHHT-DLBZAZTESA-N 2 1 322.880 3.498 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000132609828 545964635 /nfs/dbraw/zinc/96/46/35/545964635.db2.gz LAIQSTUYCBHBHS-ABAIWWIYSA-N 2 1 301.261 3.466 20 0 DGADMP CCC[NH+]1CCC(NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000154840308 546021217 /nfs/dbraw/zinc/02/12/17/546021217.db2.gz RRCHIGVJHMIAJI-UHFFFAOYSA-N 2 1 317.521 3.491 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000154840308 546021223 /nfs/dbraw/zinc/02/12/23/546021223.db2.gz RRCHIGVJHMIAJI-UHFFFAOYSA-N 3 1 317.521 3.491 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000154840308 546021227 /nfs/dbraw/zinc/02/12/27/546021227.db2.gz RRCHIGVJHMIAJI-UHFFFAOYSA-N 3 1 317.521 3.491 20 0 DGADMP C[C@H](C1CC1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000158115670 546046068 /nfs/dbraw/zinc/04/60/68/546046068.db2.gz FXLFDXHIQDFAQM-MRXNPFEDSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000164569865 546089088 /nfs/dbraw/zinc/08/90/88/546089088.db2.gz NJMCXJJZOSCSJO-OAHLLOKOSA-N 2 1 315.461 3.271 20 0 DGADMP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166702857 546096255 /nfs/dbraw/zinc/09/62/55/546096255.db2.gz AKGBKMZTBAHLPX-BPQIPLTHSA-N 2 1 302.462 3.405 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1F ZINC000192702511 546237054 /nfs/dbraw/zinc/23/70/54/546237054.db2.gz KZKUFHUWBUWXDS-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1F ZINC000192702511 546237056 /nfs/dbraw/zinc/23/70/56/546237056.db2.gz KZKUFHUWBUWXDS-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000237341990 546284931 /nfs/dbraw/zinc/28/49/31/546284931.db2.gz OVAZZXIWVGFZME-CQSZACIVSA-N 2 1 303.450 3.127 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312136 546386421 /nfs/dbraw/zinc/38/64/21/546386421.db2.gz RVLDRSQWIGFMKX-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312136 546386423 /nfs/dbraw/zinc/38/64/23/546386423.db2.gz RVLDRSQWIGFMKX-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnn1-c1ccccc1 ZINC000281170355 546386444 /nfs/dbraw/zinc/38/64/44/546386444.db2.gz HRIQUABVSHANCB-MRXNPFEDSA-N 2 1 324.472 3.397 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281573508 546389161 /nfs/dbraw/zinc/38/91/61/546389161.db2.gz KPRPDEQGMLMCSO-INIZCTEOSA-N 2 1 312.461 3.396 20 0 DGADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319672392 546465381 /nfs/dbraw/zinc/46/53/81/546465381.db2.gz HLTPDNDEVMXWPF-PXTPFGJHSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319672392 546465385 /nfs/dbraw/zinc/46/53/85/546465385.db2.gz HLTPDNDEVMXWPF-PXTPFGJHSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319672392 546465387 /nfs/dbraw/zinc/46/53/87/546465387.db2.gz HLTPDNDEVMXWPF-PXTPFGJHSA-N 2 1 322.537 3.370 20 0 DGADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339067590 546531969 /nfs/dbraw/zinc/53/19/69/546531969.db2.gz MQKBOKNKWCJAMF-ROUUACIJSA-N 2 1 302.437 3.464 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072635 546533427 /nfs/dbraw/zinc/53/34/27/546533427.db2.gz XWCRHNLWTKMILA-OALUTQOASA-N 2 1 302.462 3.330 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352771042 546656011 /nfs/dbraw/zinc/65/60/11/546656011.db2.gz WCVNMDYAHDAEJO-MRXNPFEDSA-N 2 1 320.502 3.096 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361679181 546719724 /nfs/dbraw/zinc/71/97/24/546719724.db2.gz UTOVQEQTOVCMHD-SXLOBPIMSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361679181 546719731 /nfs/dbraw/zinc/71/97/31/546719731.db2.gz UTOVQEQTOVCMHD-SXLOBPIMSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361679181 546719738 /nfs/dbraw/zinc/71/97/38/546719738.db2.gz UTOVQEQTOVCMHD-SXLOBPIMSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361679182 546720117 /nfs/dbraw/zinc/72/01/17/546720117.db2.gz UTOVQEQTOVCMHD-YSIASYRMSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361679182 546720121 /nfs/dbraw/zinc/72/01/21/546720121.db2.gz UTOVQEQTOVCMHD-YSIASYRMSA-N 2 1 316.489 3.398 20 0 DGADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361679182 546720126 /nfs/dbraw/zinc/72/01/26/546720126.db2.gz UTOVQEQTOVCMHD-YSIASYRMSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381946791 546740729 /nfs/dbraw/zinc/74/07/29/546740729.db2.gz ZKBLXPQFDSVQKN-OJAHFUOMSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390774490 546755717 /nfs/dbraw/zinc/75/57/17/546755717.db2.gz LZNGHPACEFZQDA-SLFFLAALSA-N 2 1 316.489 3.446 20 0 DGADMP OC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411766818 546772298 /nfs/dbraw/zinc/77/22/98/546772298.db2.gz DCSFAUXRWSZZAT-HXUWFJFHSA-N 2 1 316.489 3.267 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@@H](C)O1 ZINC000414258080 546782657 /nfs/dbraw/zinc/78/26/57/546782657.db2.gz LORJWGLRYPKUSP-YRGVVPAESA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@@H](C)O1 ZINC000414258080 546782661 /nfs/dbraw/zinc/78/26/61/546782661.db2.gz LORJWGLRYPKUSP-YRGVVPAESA-N 2 1 302.462 3.225 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426148169 546810439 /nfs/dbraw/zinc/81/04/39/546810439.db2.gz JYOYRJTVFAKNJG-CABCVRRESA-N 2 1 308.466 3.042 20 0 DGADMP CC[C@@H]1C[N@@H+](CC[C@@H](C)[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000431593599 546816214 /nfs/dbraw/zinc/81/62/14/546816214.db2.gz AJEMYTNLIPQDCP-OAGGEKHMSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000431593599 546816220 /nfs/dbraw/zinc/81/62/20/546816220.db2.gz AJEMYTNLIPQDCP-OAGGEKHMSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000431593599 546816226 /nfs/dbraw/zinc/81/62/26/546816226.db2.gz AJEMYTNLIPQDCP-OAGGEKHMSA-N 2 1 316.580 3.420 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487537750 546918439 /nfs/dbraw/zinc/91/84/39/546918439.db2.gz MXMJLRHPIAIMQO-AWEZNQCLSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487537750 546918443 /nfs/dbraw/zinc/91/84/43/546918443.db2.gz MXMJLRHPIAIMQO-AWEZNQCLSA-N 2 1 307.507 3.478 20 0 DGADMP c1nc(C2CC2)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000494931196 546935882 /nfs/dbraw/zinc/93/58/82/546935882.db2.gz QPOHMVSEUBLYIW-OAHLLOKOSA-N 2 1 305.491 3.471 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000494931196 546935887 /nfs/dbraw/zinc/93/58/87/546935887.db2.gz QPOHMVSEUBLYIW-OAHLLOKOSA-N 2 1 305.491 3.471 20 0 DGADMP C[C@@H](CC[NH+]1C[C@@H](C)S[C@H](C)C1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532969652 546980787 /nfs/dbraw/zinc/98/07/87/546980787.db2.gz RNROXFPCAFGBJP-CQJMVSDSSA-N 2 1 316.580 3.417 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550797105 546996844 /nfs/dbraw/zinc/99/68/44/546996844.db2.gz LKUUJWGTUHGFSM-VJANTYMQSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550797105 546996848 /nfs/dbraw/zinc/99/68/48/546996848.db2.gz LKUUJWGTUHGFSM-VJANTYMQSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000551198229 546996876 /nfs/dbraw/zinc/99/68/76/546996876.db2.gz WIGKMRXYRXBMRH-WDSOQIARSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551198229 546996880 /nfs/dbraw/zinc/99/68/80/546996880.db2.gz WIGKMRXYRXBMRH-WDSOQIARSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551198229 546996884 /nfs/dbraw/zinc/99/68/84/546996884.db2.gz WIGKMRXYRXBMRH-WDSOQIARSA-N 2 1 303.494 3.140 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000559857028 547001036 /nfs/dbraw/zinc/00/10/36/547001036.db2.gz NLOZUFKVESCAQV-SLFFLAALSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559857028 547001039 /nfs/dbraw/zinc/00/10/39/547001039.db2.gz NLOZUFKVESCAQV-SLFFLAALSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559857028 547001042 /nfs/dbraw/zinc/00/10/42/547001042.db2.gz NLOZUFKVESCAQV-SLFFLAALSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000567066800 547006966 /nfs/dbraw/zinc/00/69/66/547006966.db2.gz AZVZFLKGLJIGTF-NJYVYQBISA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000567066800 547006968 /nfs/dbraw/zinc/00/69/68/547006968.db2.gz AZVZFLKGLJIGTF-NJYVYQBISA-N 2 1 324.468 3.015 20 0 DGADMP Cc1[nH+]cc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)n1C ZINC000667670695 547268952 /nfs/dbraw/zinc/26/89/52/547268952.db2.gz XSRNXNRPAAKSOU-BEFAXECRSA-N 2 1 313.445 3.307 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000667706233 547282932 /nfs/dbraw/zinc/28/29/32/547282932.db2.gz UYIDKIZNFJFLFF-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000667706233 547282933 /nfs/dbraw/zinc/28/29/33/547282933.db2.gz UYIDKIZNFJFLFF-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000667706233 547282936 /nfs/dbraw/zinc/28/29/36/547282936.db2.gz UYIDKIZNFJFLFF-MJGOQNOKSA-N 2 1 302.462 3.310 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667867835 547323726 /nfs/dbraw/zinc/32/37/26/547323726.db2.gz LBSQNZMMASXFIO-XPGWFJOJSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@@H]1c1cccs1 ZINC000667872636 547325268 /nfs/dbraw/zinc/32/52/68/547325268.db2.gz FYTANAWPHVKRLC-MUQADHOPSA-N 2 1 320.502 3.288 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@@H]1c1cccs1 ZINC000667872636 547325274 /nfs/dbraw/zinc/32/52/74/547325274.db2.gz FYTANAWPHVKRLC-MUQADHOPSA-N 2 1 320.502 3.288 20 0 DGADMP F[C@]1(c2ccccc2)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000668109919 547387391 /nfs/dbraw/zinc/38/73/91/547387391.db2.gz QUQOICIEVHWAKM-LJQANCHMSA-N 2 1 322.387 3.338 20 0 DGADMP C[N@@H+](Cc1cc2ccncc2s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668146548 547394236 /nfs/dbraw/zinc/39/42/36/547394236.db2.gz KQGBISRXICZCIV-YIONKMFJSA-N 2 1 301.459 3.353 20 0 DGADMP C[NH+](Cc1cc2ccncc2s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000668146548 547394239 /nfs/dbraw/zinc/39/42/39/547394239.db2.gz KQGBISRXICZCIV-YIONKMFJSA-N 2 1 301.459 3.353 20 0 DGADMP C[NH+](Cc1cc2ccncc2s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000668146548 547394241 /nfs/dbraw/zinc/39/42/41/547394241.db2.gz KQGBISRXICZCIV-YIONKMFJSA-N 2 1 301.459 3.353 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4ccncc4s3)C2)CC1 ZINC000668168779 547401642 /nfs/dbraw/zinc/40/16/42/547401642.db2.gz ATCIQDTXWQNRBW-MRXNPFEDSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172209 547402828 /nfs/dbraw/zinc/40/28/28/547402828.db2.gz HSSDCJXPAFZMBF-YOEHRIQHSA-N 2 1 318.436 3.283 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172209 547402831 /nfs/dbraw/zinc/40/28/31/547402831.db2.gz HSSDCJXPAFZMBF-YOEHRIQHSA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172209 547402834 /nfs/dbraw/zinc/40/28/34/547402834.db2.gz HSSDCJXPAFZMBF-YOEHRIQHSA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172209 547402836 /nfs/dbraw/zinc/40/28/36/547402836.db2.gz HSSDCJXPAFZMBF-YOEHRIQHSA-N 2 1 318.436 3.283 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668236650 547425914 /nfs/dbraw/zinc/42/59/14/547425914.db2.gz RUWLGCCOJKJIDU-HNNXBMFYSA-N 2 1 324.403 3.469 20 0 DGADMP C[C@@H](CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785014 547541080 /nfs/dbraw/zinc/54/10/80/547541080.db2.gz LHQZTLOPQVYUMQ-PKOBYXMFSA-N 2 1 304.478 3.223 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000669613508 547661347 /nfs/dbraw/zinc/66/13/47/547661347.db2.gz OGBNJQGCNVGPBU-VKJFTORMSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@@H](C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C ZINC000670266272 547741307 /nfs/dbraw/zinc/74/13/07/547741307.db2.gz SGGMGSHFBRAOLX-JKSUJKDBSA-N 2 1 323.550 3.308 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000671753137 547827686 /nfs/dbraw/zinc/82/76/86/547827686.db2.gz ANWGREFYQTVKSB-NRSFXHEJSA-N 2 1 322.880 3.490 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301977 548058769 /nfs/dbraw/zinc/05/87/69/548058769.db2.gz IHOQPCOZJCVBRC-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301977 548058774 /nfs/dbraw/zinc/05/87/74/548058774.db2.gz IHOQPCOZJCVBRC-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301977 548058776 /nfs/dbraw/zinc/05/87/76/548058776.db2.gz IHOQPCOZJCVBRC-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000674301977 548058782 /nfs/dbraw/zinc/05/87/82/548058782.db2.gz IHOQPCOZJCVBRC-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000675497845 548226466 /nfs/dbraw/zinc/22/64/66/548226466.db2.gz QMVLZKRDZAGOJV-RTBURBONSA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000675497845 548226470 /nfs/dbraw/zinc/22/64/70/548226470.db2.gz QMVLZKRDZAGOJV-RTBURBONSA-N 2 1 312.461 3.088 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675881165 548283146 /nfs/dbraw/zinc/28/31/46/548283146.db2.gz KFFHDCFOCHLKIU-APWZRJJASA-N 2 1 302.462 3.289 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000675881715 548283514 /nfs/dbraw/zinc/28/35/14/548283514.db2.gz MSHASDCZTXDTHP-QFBILLFUSA-N 2 1 302.462 3.289 20 0 DGADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881164 548283594 /nfs/dbraw/zinc/28/35/94/548283594.db2.gz KAYNHAMOTNXKCS-WBVHZDCISA-N 2 1 320.502 3.359 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cscc2Cl)C[C@H](C)O1 ZINC000676415304 548360883 /nfs/dbraw/zinc/36/08/83/548360883.db2.gz WUPHHYYCFSSGBO-BETUJISGSA-N 2 1 316.898 3.381 20 0 DGADMP c1ccc2c(c1)cccc2OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677238173 548473883 /nfs/dbraw/zinc/47/38/83/548473883.db2.gz WHRWZKGCGRHNRC-ZWKOTPCHSA-N 2 1 310.441 3.435 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000678006003 548591032 /nfs/dbraw/zinc/59/10/32/548591032.db2.gz PVSOODJQLIBSFW-INIZCTEOSA-N 2 1 324.472 3.107 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000678281682 548669223 /nfs/dbraw/zinc/66/92/23/548669223.db2.gz SQNGDSCBPZILLR-MSOLQXFVSA-N 2 1 314.473 3.361 20 0 DGADMP Cc1ccc(COc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000678343626 548684224 /nfs/dbraw/zinc/68/42/24/548684224.db2.gz XFAONLPVIKNVGH-PMACEKPBSA-N 2 1 322.452 3.225 20 0 DGADMP c1ccc(Sc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000678343417 548684385 /nfs/dbraw/zinc/68/43/85/548684385.db2.gz UGPJTGMJWSTPDU-IRXDYDNUSA-N 2 1 310.466 3.489 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(C)c1 ZINC000678593900 548734838 /nfs/dbraw/zinc/73/48/38/548734838.db2.gz BCJIKUJZKORPQY-FGTMMUONSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1Cl ZINC000678594213 548735661 /nfs/dbraw/zinc/73/56/61/548735661.db2.gz ZMRCYYARSXQUMF-ILXRZTDVSA-N 2 1 308.853 3.324 20 0 DGADMP COC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000678605859 548739918 /nfs/dbraw/zinc/73/99/18/548739918.db2.gz XNLIZGFIYYVPIT-POAQFYNOSA-N 2 1 316.489 3.302 20 0 DGADMP C(c1nc2c(s1)CCCC2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000678955675 548800832 /nfs/dbraw/zinc/80/08/32/548800832.db2.gz IDRSMGKDGCVSLI-UHFFFAOYSA-N 2 1 319.518 3.330 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336322 548880810 /nfs/dbraw/zinc/88/08/10/548880810.db2.gz LLECVRPFEJCAJG-HKUYNNGSSA-N 2 1 304.478 3.039 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCCO2)C3)cc1 ZINC000679392206 548891944 /nfs/dbraw/zinc/89/19/44/548891944.db2.gz JEVVFLPVKOAJHP-IYWMVGAKSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@H]([NH2+]Cc1[nH]nc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721499 548944483 /nfs/dbraw/zinc/94/44/83/548944483.db2.gz PCTYTUNHYISUDG-LSDHHAIUSA-N 2 1 312.461 3.306 20 0 DGADMP C[C@H]([NH2+]Cc1[nH]nc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721499 548944486 /nfs/dbraw/zinc/94/44/86/548944486.db2.gz PCTYTUNHYISUDG-LSDHHAIUSA-N 2 1 312.461 3.306 20 0 DGADMP CCc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)nc(C)[nH+]1 ZINC000679836881 548955367 /nfs/dbraw/zinc/95/53/67/548955367.db2.gz IFIOGYXVWNOJDT-UHFFFAOYSA-N 2 1 316.493 3.440 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679940385 548966998 /nfs/dbraw/zinc/96/69/98/548966998.db2.gz OBZKPGFCMLGBSN-PMACEKPBSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401010 549047776 /nfs/dbraw/zinc/04/77/76/549047776.db2.gz AIIQPIJPMQJPMI-SJLPKXTDSA-N 2 1 315.505 3.495 20 0 DGADMP C[N@@H+](CC1CCCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680818221 549109094 /nfs/dbraw/zinc/10/90/94/549109094.db2.gz RVLSCBMJVWNCKX-IBGZPJMESA-N 2 1 307.526 3.057 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681412094 549205712 /nfs/dbraw/zinc/20/57/12/549205712.db2.gz DWLPOZDQAGUPPP-QYZOEREBSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681412094 549205717 /nfs/dbraw/zinc/20/57/17/549205717.db2.gz DWLPOZDQAGUPPP-QYZOEREBSA-N 2 1 304.478 3.038 20 0 DGADMP c1ccc([C@H]2C[N@H+](CCC[NH+]3CCCCC3)CCCO2)cc1 ZINC000682027842 549277202 /nfs/dbraw/zinc/27/72/02/549277202.db2.gz KCAYRGUXAFDKCG-LJQANCHMSA-N 2 1 302.462 3.326 20 0 DGADMP c1ccc([C@H]2C[N@@H+](CCC[NH+]3CCCCC3)CCCO2)cc1 ZINC000682027842 549277204 /nfs/dbraw/zinc/27/72/04/549277204.db2.gz KCAYRGUXAFDKCG-LJQANCHMSA-N 2 1 302.462 3.326 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2C2CC2)CCCO1 ZINC000683344589 549471005 /nfs/dbraw/zinc/47/10/05/549471005.db2.gz YITZPEOMZNSHHI-MRXNPFEDSA-N 2 1 302.462 3.155 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345869 549472299 /nfs/dbraw/zinc/47/22/99/549472299.db2.gz MVBKHMPEEIISIV-SCLBCKFNSA-N 2 1 324.415 3.043 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCCO1 ZINC000683345869 549472300 /nfs/dbraw/zinc/47/23/00/549472300.db2.gz MVBKHMPEEIISIV-SCLBCKFNSA-N 2 1 324.415 3.043 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000683705115 549522261 /nfs/dbraw/zinc/52/22/61/549522261.db2.gz MCEFCBXBYYNDHS-LPHOPBHVSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000683705518 549522286 /nfs/dbraw/zinc/52/22/86/549522286.db2.gz YBLCSPJATAHWGJ-FXAWDEMLSA-N 2 1 316.489 3.413 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683928880 549558344 /nfs/dbraw/zinc/55/83/44/549558344.db2.gz KWAJCGUQXYMOTI-UHFFFAOYSA-N 2 1 315.461 3.147 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000684377240 549622389 /nfs/dbraw/zinc/62/23/89/549622389.db2.gz SDZOWRNNNBCMQT-SLFFLAALSA-N 2 1 316.489 3.098 20 0 DGADMP CC1=CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684800393 549697270 /nfs/dbraw/zinc/69/72/70/549697270.db2.gz RCSPJDQBNPHFNN-UHFFFAOYSA-N 2 1 300.446 3.313 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCO[C@H](C)C1 ZINC000685456426 549763205 /nfs/dbraw/zinc/76/32/05/549763205.db2.gz KJCKZQSEUYFGCI-APWZRJJASA-N 2 1 304.478 3.385 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCc2occc2C1 ZINC000685477526 549769359 /nfs/dbraw/zinc/76/93/59/549769359.db2.gz JFDKMYHJZVKEJF-UHFFFAOYSA-N 2 1 308.385 3.117 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCc2occc2C1 ZINC000685477526 549769360 /nfs/dbraw/zinc/76/93/60/549769360.db2.gz JFDKMYHJZVKEJF-UHFFFAOYSA-N 2 1 308.385 3.117 20 0 DGADMP CCCc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733329356 574616153 /nfs/dbraw/zinc/61/61/53/574616153.db2.gz RGCJWGQNLSKAEZ-FQEVSTJZSA-N 2 1 316.489 3.372 20 0 DGADMP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733328950 574616167 /nfs/dbraw/zinc/61/61/67/574616167.db2.gz IEOZWQIYNAYDSQ-PZSQYBTKSA-N 2 1 314.473 3.323 20 0 DGADMP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733841945 574640241 /nfs/dbraw/zinc/64/02/41/574640241.db2.gz MZRRSVARJAIYJL-ZWKOTPCHSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733841945 574640243 /nfs/dbraw/zinc/64/02/43/574640243.db2.gz MZRRSVARJAIYJL-ZWKOTPCHSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733841945 574640244 /nfs/dbraw/zinc/64/02/44/574640244.db2.gz MZRRSVARJAIYJL-ZWKOTPCHSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733841945 574640251 /nfs/dbraw/zinc/64/02/51/574640251.db2.gz MZRRSVARJAIYJL-ZWKOTPCHSA-N 2 1 324.509 3.306 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H](O)CN2CCCC2)c1 ZINC000735563535 574707139 /nfs/dbraw/zinc/70/71/39/574707139.db2.gz VPFKXMWMGONBKJ-WOJBJXKFSA-N 2 1 316.489 3.369 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000735563535 574707145 /nfs/dbraw/zinc/70/71/45/574707145.db2.gz VPFKXMWMGONBKJ-WOJBJXKFSA-N 2 1 316.489 3.369 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CCC[C@H](n4ccnc4)C3)c2cc1C ZINC000738157133 574860204 /nfs/dbraw/zinc/86/02/04/574860204.db2.gz HCXGUCJTNHKDAB-INIZCTEOSA-N 2 1 309.417 3.144 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000742375938 574993921 /nfs/dbraw/zinc/99/39/21/574993921.db2.gz YCWGYDBDOPZGAW-HIFRSBDPSA-N 2 1 312.404 3.477 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000398063722 575960088 /nfs/dbraw/zinc/96/00/88/575960088.db2.gz XFUOHTBIRUUNLK-JXFKEZNVSA-N 2 1 309.457 3.390 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239132 620680860 /nfs/dbraw/zinc/68/08/60/620680860.db2.gz ANHMTCDJHIKSAI-YJBOKZPZSA-N 2 1 304.453 3.468 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239131 620681025 /nfs/dbraw/zinc/68/10/25/620681025.db2.gz ANHMTCDJHIKSAI-QAPCUYQASA-N 2 1 304.453 3.468 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000891610560 617851716 /nfs/dbraw/zinc/85/17/16/617851716.db2.gz APEBQPGBBZCEBT-UHFFFAOYSA-N 2 1 320.506 3.340 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(F)c(C)c2)CC1 ZINC000891611956 617853100 /nfs/dbraw/zinc/85/31/00/617853100.db2.gz ZRRHASZTBWSQEL-UHFFFAOYSA-N 2 1 307.457 3.473 20 0 DGADMP c1cc2c(c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)OCC2 ZINC000892085398 617958219 /nfs/dbraw/zinc/95/82/19/617958219.db2.gz DQSRJGKIXLOLOR-SFHVURJKSA-N 2 1 300.446 3.072 20 0 DGADMP c1cc2c(c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)OCC2 ZINC000892085398 617958222 /nfs/dbraw/zinc/95/82/22/617958222.db2.gz DQSRJGKIXLOLOR-SFHVURJKSA-N 2 1 300.446 3.072 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000892098364 617960506 /nfs/dbraw/zinc/96/05/06/617960506.db2.gz AENGMBGWDQBEKJ-APWZRJJASA-N 2 1 302.462 3.099 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926457803 618025461 /nfs/dbraw/zinc/02/54/61/618025461.db2.gz RLGAQPZXZQPUOJ-LNLFQRSKSA-N 2 1 320.525 3.150 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926457803 618025463 /nfs/dbraw/zinc/02/54/63/618025463.db2.gz RLGAQPZXZQPUOJ-LNLFQRSKSA-N 2 1 320.525 3.150 20 0 DGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924530007 618066100 /nfs/dbraw/zinc/06/61/00/618066100.db2.gz VBRLCTUUTJVOLQ-WOJBJXKFSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000923779527 618086338 /nfs/dbraw/zinc/08/63/38/618086338.db2.gz AVQCIDFJJUAATD-MRXNPFEDSA-N 2 1 314.433 3.344 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753756 618110014 /nfs/dbraw/zinc/11/00/14/618110014.db2.gz IXSMYENSAJXWGQ-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753756 618110015 /nfs/dbraw/zinc/11/00/15/618110015.db2.gz IXSMYENSAJXWGQ-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892585585 618112806 /nfs/dbraw/zinc/11/28/06/618112806.db2.gz VYLKUBXDXJGLOE-ZDUSSCGKSA-N 2 1 308.495 3.160 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892585585 618112809 /nfs/dbraw/zinc/11/28/09/618112809.db2.gz VYLKUBXDXJGLOE-ZDUSSCGKSA-N 2 1 308.495 3.160 20 0 DGADMP CCn1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000892590486 618114182 /nfs/dbraw/zinc/11/41/82/618114182.db2.gz VRHDLCOPFJNJFR-IYBDPMFKSA-N 2 1 306.498 3.059 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924580826 618123165 /nfs/dbraw/zinc/12/31/65/618123165.db2.gz XOANPUGXSXWLGQ-OALUTQOASA-N 2 1 304.478 3.159 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C)(O)CC2)c1 ZINC000892697282 618141521 /nfs/dbraw/zinc/14/15/21/618141521.db2.gz RDJPNYNOKLBROE-UHFFFAOYSA-N 2 1 304.478 3.310 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000854223163 620785647 /nfs/dbraw/zinc/78/56/47/620785647.db2.gz OZMBUJGIWXCYBL-SECBINFHSA-N 2 1 302.249 3.498 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNCc2cnc(CC(F)(F)F)s2)C1 ZINC000894455898 618339193 /nfs/dbraw/zinc/33/91/93/618339193.db2.gz NJPFTYWMRBJOJS-LLVKDONJSA-N 2 1 321.412 3.068 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894455898 618339202 /nfs/dbraw/zinc/33/92/02/618339202.db2.gz NJPFTYWMRBJOJS-LLVKDONJSA-N 2 1 321.412 3.068 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894455898 618339207 /nfs/dbraw/zinc/33/92/07/618339207.db2.gz NJPFTYWMRBJOJS-LLVKDONJSA-N 2 1 321.412 3.068 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cnc(CC(F)(F)F)s1)C1CC1 ZINC000894807808 618463145 /nfs/dbraw/zinc/46/31/45/618463145.db2.gz YITKULJUPVTOKI-UHFFFAOYSA-N 2 1 321.412 3.212 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000925080141 618466398 /nfs/dbraw/zinc/46/63/98/618466398.db2.gz RAHAKUYMUFYOJT-DRMAHVMPSA-N 2 1 302.462 3.225 20 0 DGADMP CCn1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2)n1 ZINC000894853614 618477101 /nfs/dbraw/zinc/47/71/01/618477101.db2.gz YVOYSPZQBAHKRE-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP CCn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000894853614 618477104 /nfs/dbraw/zinc/47/71/04/618477104.db2.gz YVOYSPZQBAHKRE-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP CCn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000894853614 618477110 /nfs/dbraw/zinc/47/71/10/618477110.db2.gz YVOYSPZQBAHKRE-HXUWFJFHSA-N 2 1 324.472 3.098 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925552830 618490259 /nfs/dbraw/zinc/49/02/59/618490259.db2.gz LJSJAOJTOVUPDL-YZGWKJHDSA-N 3 1 321.553 3.399 20 0 DGADMP c1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925567011 618495425 /nfs/dbraw/zinc/49/54/25/618495425.db2.gz ICVSXYFAMYLBPU-SQNIBIBYSA-N 2 1 300.446 3.029 20 0 DGADMP c1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925566985 618495504 /nfs/dbraw/zinc/49/55/04/618495504.db2.gz ICVSXYFAMYLBPU-KURKYZTESA-N 2 1 300.446 3.029 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000925587940 618501938 /nfs/dbraw/zinc/50/19/38/618501938.db2.gz LKZOOWPHZXLGEL-GUDVDZBRSA-N 2 1 310.526 3.275 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488194 618570331 /nfs/dbraw/zinc/57/03/31/618570331.db2.gz PTSSGZCGWLUZSF-LSDHHAIUSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488194 618570332 /nfs/dbraw/zinc/57/03/32/618570332.db2.gz PTSSGZCGWLUZSF-LSDHHAIUSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488193 618570373 /nfs/dbraw/zinc/57/03/73/618570373.db2.gz PTSSGZCGWLUZSF-HUUCEWRRSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488193 618570375 /nfs/dbraw/zinc/57/03/75/618570375.db2.gz PTSSGZCGWLUZSF-HUUCEWRRSA-N 2 1 305.441 3.272 20 0 DGADMP C[C@H]([NH2+]Cc1cn2ccnc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487757 618570804 /nfs/dbraw/zinc/57/08/04/618570804.db2.gz MRFJMCGPZARZHR-UONOGXRCSA-N 2 1 318.490 3.138 20 0 DGADMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000925759403 618601956 /nfs/dbraw/zinc/60/19/56/618601956.db2.gz OADYQRMFKIYYLE-PKOBYXMFSA-N 2 1 315.505 3.100 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000925760240 618602401 /nfs/dbraw/zinc/60/24/01/618602401.db2.gz VTIKHGXHNKFNDV-CQSZACIVSA-N 2 1 306.450 3.106 20 0 DGADMP CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925776584 618616050 /nfs/dbraw/zinc/61/60/50/618616050.db2.gz XYZSLHOBJQBKAJ-KZNAEPCWSA-N 2 1 302.462 3.275 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCCC[NH+]1CCCC1 ZINC000920761875 620821758 /nfs/dbraw/zinc/82/17/58/620821758.db2.gz AZEZIYPUCRNQPY-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1C ZINC000925843362 618643957 /nfs/dbraw/zinc/64/39/57/618643957.db2.gz FMJOUXJVHZIVOY-GOSISDBHSA-N 2 1 303.494 3.030 20 0 DGADMP C[C@H]([NH3+])[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861829 618648010 /nfs/dbraw/zinc/64/80/10/618648010.db2.gz UBFPGAYGBVEIJM-BARLLCKDSA-N 3 1 301.478 3.072 20 0 DGADMP C[C@H]([NH3+])[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861829 618648011 /nfs/dbraw/zinc/64/80/11/618648011.db2.gz UBFPGAYGBVEIJM-BARLLCKDSA-N 2 1 301.478 3.072 20 0 DGADMP C[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000894023212 618695350 /nfs/dbraw/zinc/69/53/50/618695350.db2.gz FBDRWRYGZUUPSD-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086511 618704937 /nfs/dbraw/zinc/70/49/37/618704937.db2.gz HEXFJYMRYACXPH-AWEZNQCLSA-N 2 1 312.404 3.104 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086511 618704940 /nfs/dbraw/zinc/70/49/40/618704940.db2.gz HEXFJYMRYACXPH-AWEZNQCLSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086511 618704942 /nfs/dbraw/zinc/70/49/42/618704942.db2.gz HEXFJYMRYACXPH-AWEZNQCLSA-N 2 1 312.404 3.104 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086511 618704945 /nfs/dbraw/zinc/70/49/45/618704945.db2.gz HEXFJYMRYACXPH-AWEZNQCLSA-N 2 1 312.404 3.104 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924870498 618712987 /nfs/dbraw/zinc/71/29/87/618712987.db2.gz AVDSLOMKCUGODF-FQEVSTJZSA-N 2 1 320.440 3.030 20 0 DGADMP Cc1cc[nH+]c(N)c1CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000894121902 618714829 /nfs/dbraw/zinc/71/48/29/618714829.db2.gz HQIXRORYAJCKHN-UHFFFAOYSA-N 2 1 310.445 3.223 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000894133557 618717411 /nfs/dbraw/zinc/71/74/11/618717411.db2.gz DRHGXKKKBOCHEK-QGZVFWFLSA-N 2 1 313.420 3.141 20 0 DGADMP COC1CCC(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000894135633 618717877 /nfs/dbraw/zinc/71/78/77/618717877.db2.gz YBHLRBDOTZCTKM-SYYJFZTOSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000894157796 618721234 /nfs/dbraw/zinc/72/12/34/618721234.db2.gz INLADPSFBNQMCV-UHFFFAOYSA-N 2 1 324.472 3.248 20 0 DGADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000894181298 618725078 /nfs/dbraw/zinc/72/50/78/618725078.db2.gz XGXQBBUAJNWINQ-CQSZACIVSA-N 2 1 324.490 3.136 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(Br)CC2)C1 ZINC000924960237 618750049 /nfs/dbraw/zinc/75/00/49/618750049.db2.gz OBTWXOOUQJXOCR-QWHCGFSZSA-N 2 1 303.288 3.012 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000924969028 618753151 /nfs/dbraw/zinc/75/31/51/618753151.db2.gz GUNBOUTVFIOOPO-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000895380027 618775980 /nfs/dbraw/zinc/77/59/80/618775980.db2.gz NRRMTLAPWNLECM-YOEHRIQHSA-N 2 1 301.434 3.380 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc2cnccc2o1 ZINC000895380027 618775981 /nfs/dbraw/zinc/77/59/81/618775981.db2.gz NRRMTLAPWNLECM-YOEHRIQHSA-N 2 1 301.434 3.380 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000895380021 618776200 /nfs/dbraw/zinc/77/62/00/618776200.db2.gz NRRMTLAPWNLECM-PBHICJAKSA-N 2 1 301.434 3.380 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc2cnccc2o1 ZINC000895380021 618776203 /nfs/dbraw/zinc/77/62/03/618776203.db2.gz NRRMTLAPWNLECM-PBHICJAKSA-N 2 1 301.434 3.380 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000895424463 618783528 /nfs/dbraw/zinc/78/35/28/618783528.db2.gz YNINKIXRPYWNPK-FUHWJXTLSA-N 2 1 302.487 3.307 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000895424463 618783529 /nfs/dbraw/zinc/78/35/29/618783529.db2.gz YNINKIXRPYWNPK-FUHWJXTLSA-N 2 1 302.487 3.307 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000895424464 618783688 /nfs/dbraw/zinc/78/36/88/618783688.db2.gz YNINKIXRPYWNPK-SJLPKXTDSA-N 2 1 302.487 3.307 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000895424464 618783689 /nfs/dbraw/zinc/78/36/89/618783689.db2.gz YNINKIXRPYWNPK-SJLPKXTDSA-N 2 1 302.487 3.307 20 0 DGADMP C[C@@H]1C[N@H+](Cc2scnc2C2CC2)CCN1c1cc[nH+]cc1 ZINC000895558300 618799072 /nfs/dbraw/zinc/79/90/72/618799072.db2.gz VGELZZBUIKYJNR-CYBMUJFWSA-N 2 1 314.458 3.126 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)CCN1c1cc[nH+]cc1 ZINC000895558300 618799074 /nfs/dbraw/zinc/79/90/74/618799074.db2.gz VGELZZBUIKYJNR-CYBMUJFWSA-N 2 1 314.458 3.126 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000895669727 618815848 /nfs/dbraw/zinc/81/58/48/618815848.db2.gz FTDNRYAXODYHBH-KRWDZBQOSA-N 2 1 317.477 3.340 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000895669727 618815850 /nfs/dbraw/zinc/81/58/50/618815850.db2.gz FTDNRYAXODYHBH-KRWDZBQOSA-N 2 1 317.477 3.340 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC000895791535 618831567 /nfs/dbraw/zinc/83/15/67/618831567.db2.gz CRNVLFFZPWZYMD-XUVXKRRUSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC000895791535 618831570 /nfs/dbraw/zinc/83/15/70/618831570.db2.gz CRNVLFFZPWZYMD-XUVXKRRUSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC000895791535 618831572 /nfs/dbraw/zinc/83/15/72/618831572.db2.gz CRNVLFFZPWZYMD-XUVXKRRUSA-N 2 1 312.457 3.133 20 0 DGADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)SC ZINC000925174143 619066323 /nfs/dbraw/zinc/06/63/23/619066323.db2.gz ULBFYZJCKHIUMA-MQVJKMGUSA-N 2 1 314.539 3.140 20 0 DGADMP Cc1ncccc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898253604 619228714 /nfs/dbraw/zinc/22/87/14/619228714.db2.gz QESMTRHYIJHSFR-RXVVDRJESA-N 2 1 323.484 3.433 20 0 DGADMP Cn1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c(-c2cccs2)n1 ZINC000898308293 619236025 /nfs/dbraw/zinc/23/60/25/619236025.db2.gz WRBJBQYZKGKPTC-UHFFFAOYSA-N 2 1 320.506 3.168 20 0 DGADMP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c(-c2cccs2)n1 ZINC000898308293 619236026 /nfs/dbraw/zinc/23/60/26/619236026.db2.gz WRBJBQYZKGKPTC-UHFFFAOYSA-N 2 1 320.506 3.168 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC000898380843 619240896 /nfs/dbraw/zinc/24/08/96/619240896.db2.gz WGJNQWGJNZABTH-AGRHKRQWSA-N 2 1 311.429 3.256 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924654149 619254066 /nfs/dbraw/zinc/25/40/66/619254066.db2.gz QEYWKBFURPCTGB-NSHDSACASA-N 2 1 324.412 3.386 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924654149 619254068 /nfs/dbraw/zinc/25/40/68/619254068.db2.gz QEYWKBFURPCTGB-NSHDSACASA-N 2 1 324.412 3.386 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927020887 619257440 /nfs/dbraw/zinc/25/74/40/619257440.db2.gz ZVWACXXKYAMSSX-NEWSRXKRSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(Br)CC1 ZINC000924688712 619257844 /nfs/dbraw/zinc/25/78/44/619257844.db2.gz VISPASIMNONNRI-KBPBESRZSA-N 2 1 317.315 3.404 20 0 DGADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899234911 619322513 /nfs/dbraw/zinc/32/25/13/619322513.db2.gz UTEJWIMFJZELIU-IAGOWNOFSA-N 2 1 324.428 3.138 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000902400897 619631842 /nfs/dbraw/zinc/63/18/42/619631842.db2.gz XMHDFRSGUNEYEP-SJORKVTESA-N 2 1 324.472 3.227 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902444443 619637114 /nfs/dbraw/zinc/63/71/14/619637114.db2.gz NQYCGILXHRDZLL-ACBHZAAOSA-N 2 1 315.505 3.017 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902444443 619637116 /nfs/dbraw/zinc/63/71/16/619637116.db2.gz NQYCGILXHRDZLL-ACBHZAAOSA-N 2 1 315.505 3.017 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902444443 619637119 /nfs/dbraw/zinc/63/71/19/619637119.db2.gz NQYCGILXHRDZLL-ACBHZAAOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000902413267 619637715 /nfs/dbraw/zinc/63/77/15/619637715.db2.gz JPHCLGCEIJIOIX-JTQLQIEISA-N 2 1 304.381 3.483 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000902621487 619659273 /nfs/dbraw/zinc/65/92/73/619659273.db2.gz KKVNTNIUIBARKI-KRWDZBQOSA-N 2 1 301.478 3.248 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902728332 619666709 /nfs/dbraw/zinc/66/67/09/619666709.db2.gz QFUJPAIVKLCBIM-HNNXBMFYSA-N 2 1 318.461 3.307 20 0 DGADMP C[NH+]1CCC([NH2+][C@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902728613 619666814 /nfs/dbraw/zinc/66/68/14/619666814.db2.gz XWCBWGIDAGQRLD-HXUWFJFHSA-N 2 1 309.457 3.439 20 0 DGADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)CC[N@H+]2C1 ZINC000902751943 619670348 /nfs/dbraw/zinc/67/03/48/619670348.db2.gz DXXVLIBXAUQBLZ-FCGDIQPGSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)C1 ZINC000902792751 619677367 /nfs/dbraw/zinc/67/73/67/619677367.db2.gz CZAAJDKDPWZGJW-SCTDSRPQSA-N 2 1 316.489 3.336 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCc1ccccc1)c1cccnc1 ZINC000902958720 619697561 /nfs/dbraw/zinc/69/75/61/619697561.db2.gz RPBSVIGGOYCKKM-HXUWFJFHSA-N 2 1 320.440 3.321 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1F ZINC000903061834 619708618 /nfs/dbraw/zinc/70/86/18/619708618.db2.gz KWPALEUOWOXRKY-VHRNVKJDSA-N 2 1 304.409 3.082 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903061834 619708620 /nfs/dbraw/zinc/70/86/20/619708620.db2.gz KWPALEUOWOXRKY-VHRNVKJDSA-N 2 1 304.409 3.082 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)CC1 ZINC000903065071 619709665 /nfs/dbraw/zinc/70/96/65/619709665.db2.gz GMGCYTNQDABZSW-NCXUSEDFSA-N 2 1 309.542 3.064 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903074895 619711216 /nfs/dbraw/zinc/71/12/16/619711216.db2.gz XKZAFPQZGCWXIH-HNAYVOBHSA-N 2 1 320.452 3.225 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076391 619711826 /nfs/dbraw/zinc/71/18/26/619711826.db2.gz OQXYJPTTZQFZCD-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903076391 619711828 /nfs/dbraw/zinc/71/18/28/619711828.db2.gz OQXYJPTTZQFZCD-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076684 619711962 /nfs/dbraw/zinc/71/19/62/619711962.db2.gz UHGGZJIGYATTJQ-WELJNPPOSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076684 619711963 /nfs/dbraw/zinc/71/19/63/619711963.db2.gz UHGGZJIGYATTJQ-WELJNPPOSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@H]1CCC[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076684 619711964 /nfs/dbraw/zinc/71/19/64/619711964.db2.gz UHGGZJIGYATTJQ-WELJNPPOSA-N 2 1 319.537 3.244 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903068708 619714476 /nfs/dbraw/zinc/71/44/76/619714476.db2.gz KVJVUNQTRPJFIT-KOQQBVACSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CCC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903068708 619714477 /nfs/dbraw/zinc/71/44/77/619714477.db2.gz KVJVUNQTRPJFIT-KOQQBVACSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H]1CCC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903068708 619714478 /nfs/dbraw/zinc/71/44/78/619714478.db2.gz KVJVUNQTRPJFIT-KOQQBVACSA-N 3 1 319.537 3.246 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000903070507 619714990 /nfs/dbraw/zinc/71/49/90/619714990.db2.gz VPYPJGHSAYXRIF-CVEARBPZSA-N 2 1 318.461 3.164 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000903071334 619715141 /nfs/dbraw/zinc/71/51/41/619715141.db2.gz BDECEORTWWRDSP-JVPBZIDWSA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000903071335 619715199 /nfs/dbraw/zinc/71/51/99/619715199.db2.gz BDECEORTWWRDSP-KYNGSXCRSA-N 2 1 316.445 3.027 20 0 DGADMP C[C@H]1CCC[C@](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)([NH+](C)C)C1 ZINC000903072167 619715321 /nfs/dbraw/zinc/71/53/21/619715321.db2.gz CQXXHGPPRFDYDS-MWDBYQCVSA-N 2 1 319.537 3.244 20 0 DGADMP CSc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccn1 ZINC000903114294 619720213 /nfs/dbraw/zinc/72/02/13/619720213.db2.gz YFSFQIXIOKJTGT-VHRNVKJDSA-N 2 1 303.475 3.051 20 0 DGADMP CSc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccn1 ZINC000903114294 619720214 /nfs/dbraw/zinc/72/02/14/619720214.db2.gz YFSFQIXIOKJTGT-VHRNVKJDSA-N 2 1 303.475 3.051 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(C)C ZINC000903153793 619726021 /nfs/dbraw/zinc/72/60/21/619726021.db2.gz SYKUHBLGTJPBFD-JQWQUYJUSA-N 2 1 306.494 3.326 20 0 DGADMP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCC2)nc1 ZINC000903171857 619729450 /nfs/dbraw/zinc/72/94/50/619729450.db2.gz SFWDRTVERQEOGC-ZNXRZULTSA-N 2 1 311.473 3.251 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(CC2CCC2)c1 ZINC000903184045 619731991 /nfs/dbraw/zinc/73/19/91/619731991.db2.gz SGMWCPBIJDXYDF-OAHLLOKOSA-N 2 1 304.482 3.208 20 0 DGADMP c1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CO2 ZINC000903167017 619732528 /nfs/dbraw/zinc/73/25/28/619732528.db2.gz VUEAJSJZOTWUNI-WELJNPPOSA-N 2 1 312.457 3.128 20 0 DGADMP ClC1(Cl)C[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903205438 619738238 /nfs/dbraw/zinc/73/82/38/619738238.db2.gz IDXKLFYXXPDERL-WDFAYWTNSA-N 2 1 303.277 3.318 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)c1ccccc1 ZINC000903217363 619740257 /nfs/dbraw/zinc/74/02/57/619740257.db2.gz VPIDQFXRDJBFEH-YGDSSSOMSA-N 2 1 314.473 3.246 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000903219503 619741102 /nfs/dbraw/zinc/74/11/02/619741102.db2.gz HBIDJHBMHIPSKJ-CWOTXIQRSA-N 2 1 306.519 3.408 20 0 DGADMP CC1(C)C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)O1 ZINC000903229099 619744031 /nfs/dbraw/zinc/74/40/31/619744031.db2.gz ZBVZKWZNIWSMPL-YTTRVJOFSA-N 2 1 306.494 3.328 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265420 619744680 /nfs/dbraw/zinc/74/46/80/619744680.db2.gz ZFYPBLBUKLGNNL-XLNTUCKNSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265420 619744682 /nfs/dbraw/zinc/74/46/82/619744682.db2.gz ZFYPBLBUKLGNNL-XLNTUCKNSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H](CCC(F)(F)F)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903380704 619768837 /nfs/dbraw/zinc/76/88/37/619768837.db2.gz OIDDEXBUDXKRFL-TZMCWYRMSA-N 2 1 303.372 3.395 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C2CC2)cc1 ZINC000903426718 619774660 /nfs/dbraw/zinc/77/46/60/619774660.db2.gz LRGIDDQFLAEFAV-LESCRADOSA-N 2 1 302.462 3.423 20 0 DGADMP CCN(CC)CC[N@@H+](Cc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440819 619775906 /nfs/dbraw/zinc/77/59/06/619775906.db2.gz DKEXUVVBKYBOTJ-CVEARBPZSA-N 2 1 309.523 3.019 20 0 DGADMP CCN(CC)CC[N@H+](Cc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440819 619775907 /nfs/dbraw/zinc/77/59/07/619775907.db2.gz DKEXUVVBKYBOTJ-CVEARBPZSA-N 2 1 309.523 3.019 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000903441334 619775944 /nfs/dbraw/zinc/77/59/44/619775944.db2.gz NYGAEQBBSSMYGX-YYIAUSFCSA-N 2 1 322.518 3.272 20 0 DGADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1[C@@H](c3ccccc3)C1(F)F)CC[NH2+]CC2 ZINC000903460167 619776863 /nfs/dbraw/zinc/77/68/63/619776863.db2.gz YTGHPZDBTBXVNH-USXIJHARSA-N 2 1 320.427 3.499 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000903442713 619777305 /nfs/dbraw/zinc/77/73/05/619777305.db2.gz ZORCROMKFBBYAA-JYBIWHBTSA-N 2 1 315.505 3.271 20 0 DGADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903482752 619781103 /nfs/dbraw/zinc/78/11/03/619781103.db2.gz RTZHOJBTXXYOOB-BFYDXBDKSA-N 2 1 302.466 3.157 20 0 DGADMP c1ccc([C@]23C[C@H]2C[N@H+](Cc2cccc4c2CC[NH2+]C4)C3)cc1 ZINC000903490821 619782321 /nfs/dbraw/zinc/78/23/21/619782321.db2.gz JJIVIZXLXXXLMW-PZJWPPBQSA-N 2 1 304.437 3.106 20 0 DGADMP c1csc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903718400 619803182 /nfs/dbraw/zinc/80/31/82/619803182.db2.gz LXXXEVLEJAXPII-GJZGRUSLSA-N 2 1 306.475 3.044 20 0 DGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718694 619803188 /nfs/dbraw/zinc/80/31/88/619803188.db2.gz QTAMHZDHMLIZOM-UXHICEINSA-N 2 1 310.441 3.040 20 0 DGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722462 619803613 /nfs/dbraw/zinc/80/36/13/619803613.db2.gz BCXWJKYOKMXFML-JCGIZDLHSA-N 2 1 320.864 3.246 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]2CCCC[C@@H]12 ZINC000903722178 619803809 /nfs/dbraw/zinc/80/38/09/619803809.db2.gz IIYSEUZNMRTZOU-VSZNYVQBSA-N 2 1 306.494 3.046 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c(C)c1 ZINC000903722869 619804048 /nfs/dbraw/zinc/80/40/48/619804048.db2.gz DXKLBHHZSAQZHC-ZWKOTPCHSA-N 2 1 316.489 3.455 20 0 DGADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725155 619804756 /nfs/dbraw/zinc/80/47/56/619804756.db2.gz XJSKYPZJPZZIHF-KRWDZBQOSA-N 2 1 322.880 3.321 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903725410 619804835 /nfs/dbraw/zinc/80/48/35/619804835.db2.gz ZJBYVGPBKKRXOZ-RBUKOAKNSA-N 2 1 314.473 3.291 20 0 DGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724986 619804862 /nfs/dbraw/zinc/80/48/62/619804862.db2.gz UDAJMPFWXMSRNT-QUCCMNQESA-N 2 1 310.441 3.040 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903725408 619804919 /nfs/dbraw/zinc/80/49/19/619804919.db2.gz ZJBYVGPBKKRXOZ-OALUTQOASA-N 2 1 314.473 3.291 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903727882 619805379 /nfs/dbraw/zinc/80/53/79/619805379.db2.gz YPSJDNCKMOIYJI-FUHWJXTLSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733931 619807704 /nfs/dbraw/zinc/80/77/04/619807704.db2.gz MZLTVRJTOKKFHY-MOPGFXCFSA-N 2 1 316.489 3.098 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903738215 619808286 /nfs/dbraw/zinc/80/82/86/619808286.db2.gz ZRROTEBWTBCSAU-QAPCUYQASA-N 2 1 312.461 3.100 20 0 DGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903738215 619808287 /nfs/dbraw/zinc/80/82/87/619808287.db2.gz ZRROTEBWTBCSAU-QAPCUYQASA-N 2 1 312.461 3.100 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000903766701 619810131 /nfs/dbraw/zinc/81/01/31/619810131.db2.gz QXZSPKSRFUHUSV-ROUUACIJSA-N 2 1 306.494 3.047 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000903766721 619810255 /nfs/dbraw/zinc/81/02/55/619810255.db2.gz REUBBNSOQQOZGE-APWZRJJASA-N 2 1 302.462 3.048 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1)CC1CC1 ZINC000903756675 619810542 /nfs/dbraw/zinc/81/05/42/619810542.db2.gz VPPRMVQHZCOVEK-FQEVSTJZSA-N 3 1 321.553 3.210 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903778034 619812569 /nfs/dbraw/zinc/81/25/69/619812569.db2.gz IYGHMJOLRJQAPW-IPYPFGDCSA-N 2 1 322.415 3.183 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)[nH]n1 ZINC000903781063 619812973 /nfs/dbraw/zinc/81/29/73/619812973.db2.gz NGBRRVLGGGZFIQ-HOTGVXAUSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781063 619812979 /nfs/dbraw/zinc/81/29/79/619812979.db2.gz NGBRRVLGGGZFIQ-HOTGVXAUSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781063 619812981 /nfs/dbraw/zinc/81/29/81/619812981.db2.gz NGBRRVLGGGZFIQ-HOTGVXAUSA-N 2 1 304.482 3.102 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cccn3)cc2)CCC1 ZINC000903815900 619814305 /nfs/dbraw/zinc/81/43/05/619814305.db2.gz UMTJVTRIVJYZKI-IBGZPJMESA-N 2 1 324.472 3.356 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)CCC1 ZINC000903814502 619814553 /nfs/dbraw/zinc/81/45/53/619814553.db2.gz MLERGGKNWFJUIA-LJQANCHMSA-N 2 1 324.472 3.356 20 0 DGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccn(-c3ccccc3)n2)CCC1 ZINC000903814502 619814557 /nfs/dbraw/zinc/81/45/57/619814557.db2.gz MLERGGKNWFJUIA-LJQANCHMSA-N 2 1 324.472 3.356 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@@H](C(F)(F)F)O2)CCC1 ZINC000903811050 619817843 /nfs/dbraw/zinc/81/78/43/619817843.db2.gz JBFXCXBFSSJLSI-RDBSUJKOSA-N 2 1 320.399 3.080 20 0 DGADMP CC(C)Cc1ccccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819273 619818965 /nfs/dbraw/zinc/81/89/65/619818965.db2.gz DWLCSHXSGSKESX-UHFFFAOYSA-N 2 1 316.489 3.230 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC000903843489 619822774 /nfs/dbraw/zinc/82/27/74/619822774.db2.gz LXWILZHWEOIJFK-GDLCADMTSA-N 2 1 315.244 3.184 20 0 DGADMP c1cc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCO2 ZINC000903890458 619826053 /nfs/dbraw/zinc/82/60/53/619826053.db2.gz CHPQFNAQKFBNHJ-CVGRLMLNSA-N 2 1 314.429 3.083 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903889604 619826218 /nfs/dbraw/zinc/82/62/18/619826218.db2.gz TVKRPTHNRHMRDC-ZCTYVAAUSA-N 2 1 314.473 3.233 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873202 619827305 /nfs/dbraw/zinc/82/73/05/619827305.db2.gz MMKLOTJVIQEGRE-GOOCMWNKSA-N 2 1 310.388 3.250 20 0 DGADMP c1ccc([C@H]2CSCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879477 619827729 /nfs/dbraw/zinc/82/77/29/619827729.db2.gz BVYMAIPBOSSSED-NXCDMZCRSA-N 2 1 302.487 3.307 20 0 DGADMP COc1ccccc1C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903880533 619827930 /nfs/dbraw/zinc/82/79/30/619827930.db2.gz SMOIPNADKHSFPW-ZXFUBFMLSA-N 2 1 300.446 3.190 20 0 DGADMP c1ccc(C[N@@H+](C[C@H]2CCCO2)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903887093 619828876 /nfs/dbraw/zinc/82/88/76/619828876.db2.gz XHMOTARSRSORLU-RAFMOHDBSA-N 2 1 314.473 3.198 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903899906 619830482 /nfs/dbraw/zinc/83/04/82/619830482.db2.gz YLKNMWCBTBENGN-AYHJJNSGSA-N 2 1 302.462 3.436 20 0 DGADMP C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000903902489 619831639 /nfs/dbraw/zinc/83/16/39/619831639.db2.gz HRDPJPZFQDMHDX-UHFFFAOYSA-N 2 1 320.358 3.382 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923171 619835199 /nfs/dbraw/zinc/83/51/99/619835199.db2.gz NFPAPJUXRHQPMH-JOYOIKCWSA-N 2 1 310.310 3.209 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903933025 619836495 /nfs/dbraw/zinc/83/64/95/619836495.db2.gz JZYIBPQQQNCQNT-WQHGSSGSSA-N 2 1 314.473 3.189 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903933024 619836500 /nfs/dbraw/zinc/83/65/00/619836500.db2.gz JZYIBPQQQNCQNT-IVZBYUQCSA-N 2 1 314.473 3.189 20 0 DGADMP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959772 619839898 /nfs/dbraw/zinc/83/98/98/619839898.db2.gz OAERWCKOABSCMZ-ZLQZBKBYSA-N 2 1 300.446 3.174 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959772 619839899 /nfs/dbraw/zinc/83/98/99/619839899.db2.gz OAERWCKOABSCMZ-ZLQZBKBYSA-N 2 1 300.446 3.174 20 0 DGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903960214 619839906 /nfs/dbraw/zinc/83/99/06/619839906.db2.gz ZCQMGKRFVLDERT-KRWDZBQOSA-N 2 1 307.507 3.406 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903960214 619839908 /nfs/dbraw/zinc/83/99/08/619839908.db2.gz ZCQMGKRFVLDERT-KRWDZBQOSA-N 2 1 307.507 3.406 20 0 DGADMP CC(C)[C@@H](C[N@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903942848 619842583 /nfs/dbraw/zinc/84/25/83/619842583.db2.gz WIUHWMBKOCUBOS-OAHLLOKOSA-N 2 1 315.486 3.400 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000903946037 619843023 /nfs/dbraw/zinc/84/30/23/619843023.db2.gz GGQPJTCCRYRQJO-UHFFFAOYSA-N 2 1 318.852 3.433 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955330 619846550 /nfs/dbraw/zinc/84/65/50/619846550.db2.gz PEZUJJXGTUFZFW-GFCCVEGCSA-N 2 1 302.796 3.291 20 0 DGADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972999 619847740 /nfs/dbraw/zinc/84/77/40/619847740.db2.gz NAZGRKFCJWMTQJ-CEXWTWQISA-N 2 1 314.473 3.071 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974988 619848098 /nfs/dbraw/zinc/84/80/98/619848098.db2.gz XZOUJJYYUINENH-WMLDXEAASA-N 2 1 322.880 3.019 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904314055 619912101 /nfs/dbraw/zinc/91/21/01/619912101.db2.gz RCRCUTSUDDNTDK-IEBWSBKVSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000904342419 619914666 /nfs/dbraw/zinc/91/46/66/619914666.db2.gz GYPLRMXLTCBQJF-TYNCELHUSA-N 2 1 309.251 3.323 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)[nH]n1 ZINC000904385333 619918658 /nfs/dbraw/zinc/91/86/58/619918658.db2.gz VUHVLUVVXJHZGN-MAUKXSAKSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385333 619918661 /nfs/dbraw/zinc/91/86/61/619918661.db2.gz VUHVLUVVXJHZGN-MAUKXSAKSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385333 619918663 /nfs/dbraw/zinc/91/86/63/619918663.db2.gz VUHVLUVVXJHZGN-MAUKXSAKSA-N 2 1 304.482 3.102 20 0 DGADMP C[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000904383629 619918781 /nfs/dbraw/zinc/91/87/81/619918781.db2.gz ALYPNONNAQSPGP-AAEUAGOBSA-N 2 1 305.422 3.338 20 0 DGADMP COc1cc(Cl)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000904406430 619919949 /nfs/dbraw/zinc/91/99/49/619919949.db2.gz SSKKVIVVHFTTLF-SNVBAGLBSA-N 2 1 303.233 3.173 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904410122 619920464 /nfs/dbraw/zinc/92/04/64/619920464.db2.gz BCQCJDIFYIQQMT-CMPLNLGQSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C[NH3+] ZINC000904412680 619921017 /nfs/dbraw/zinc/92/10/17/619921017.db2.gz WFVKKPPRYZZFKM-GHMZBOCLSA-N 2 1 304.331 3.261 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904598823 619935326 /nfs/dbraw/zinc/93/53/26/619935326.db2.gz ROVRVDPMFVDDKD-AWEZNQCLSA-N 2 1 320.481 3.122 20 0 DGADMP Fc1cccc([C@H]2C[C@@H]2[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000906588515 620106406 /nfs/dbraw/zinc/10/64/06/620106406.db2.gz HEYGVDDNPPYGSR-MOPGFXCFSA-N 2 1 311.404 3.289 20 0 DGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000906588516 620106672 /nfs/dbraw/zinc/10/66/72/620106672.db2.gz HEYGVDDNPPYGSR-OALUTQOASA-N 2 1 311.404 3.289 20 0 DGADMP CCCCCCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000841100225 620449986 /nfs/dbraw/zinc/44/99/86/620449986.db2.gz HEWBQHGECSAUPS-LJQANCHMSA-N 2 1 320.477 3.195 20 0 DGADMP CCCCCCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000841100225 620449989 /nfs/dbraw/zinc/44/99/89/620449989.db2.gz HEWBQHGECSAUPS-LJQANCHMSA-N 2 1 320.477 3.195 20 0 DGADMP c1cn(C2CCN(Cn3cc(-c4ccccc4)cn3)CC2)cn1 ZINC000152076047 620490673 /nfs/dbraw/zinc/49/06/73/620490673.db2.gz FBLQSOOOFJMGRK-UHFFFAOYSA-N 2 1 307.401 3.041 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852564134 620629983 /nfs/dbraw/zinc/62/99/83/620629983.db2.gz DYHKVGRCZSGJCY-SUMDDJOVSA-N 2 1 312.461 3.224 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921496639 620861682 /nfs/dbraw/zinc/86/16/82/620861682.db2.gz XUBFZNVBKQWDEL-MRXNPFEDSA-N 2 1 304.482 3.037 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921496639 620861684 /nfs/dbraw/zinc/86/16/84/620861684.db2.gz XUBFZNVBKQWDEL-MRXNPFEDSA-N 2 1 304.482 3.037 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921530971 620903435 /nfs/dbraw/zinc/90/34/35/620903435.db2.gz AQBJSRAQTGPBEG-CQSZACIVSA-N 2 1 317.433 3.278 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921537569 620904097 /nfs/dbraw/zinc/90/40/97/620904097.db2.gz YDPOWKXHOVBMEX-MRXNPFEDSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921538360 620904544 /nfs/dbraw/zinc/90/45/44/620904544.db2.gz WHDYONKQRBMYFS-IYBDPMFKSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921538360 620904546 /nfs/dbraw/zinc/90/45/46/620904546.db2.gz WHDYONKQRBMYFS-IYBDPMFKSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921915605 620968165 /nfs/dbraw/zinc/96/81/65/620968165.db2.gz VINRUGSTLKENHZ-NCXUSEDFSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980843 620976425 /nfs/dbraw/zinc/97/64/25/620976425.db2.gz OSQWEOXCANFQFS-RDJZCZTQSA-N 2 1 316.493 3.351 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980843 620976429 /nfs/dbraw/zinc/97/64/29/620976429.db2.gz OSQWEOXCANFQFS-RDJZCZTQSA-N 2 1 316.493 3.351 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(C)C)C2)ccn1 ZINC000856550789 621004083 /nfs/dbraw/zinc/00/40/83/621004083.db2.gz HELFFMGYFNYRQO-SFHVURJKSA-N 2 1 305.466 3.033 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(C)C)C2)ccn1 ZINC000856550789 621004085 /nfs/dbraw/zinc/00/40/85/621004085.db2.gz HELFFMGYFNYRQO-SFHVURJKSA-N 2 1 305.466 3.033 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(C)CCC3)C2)ccn1 ZINC000856551358 621004912 /nfs/dbraw/zinc/00/49/12/621004912.db2.gz QBPAEJWEVLGPNK-GOSISDBHSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3(C)CCC3)C2)ccn1 ZINC000856551358 621004916 /nfs/dbraw/zinc/00/49/16/621004916.db2.gz QBPAEJWEVLGPNK-GOSISDBHSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3(C)CCC3)C2)ccn1 ZINC000856551358 621004921 /nfs/dbraw/zinc/00/49/21/621004921.db2.gz QBPAEJWEVLGPNK-GOSISDBHSA-N 2 1 317.477 3.177 20 0 DGADMP CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585003 621006201 /nfs/dbraw/zinc/00/62/01/621006201.db2.gz XAYSGDNERMQDSI-QAPCUYQASA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585003 621006203 /nfs/dbraw/zinc/00/62/03/621006203.db2.gz XAYSGDNERMQDSI-QAPCUYQASA-N 2 1 305.466 3.175 20 0 DGADMP CCC[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585003 621006206 /nfs/dbraw/zinc/00/62/06/621006206.db2.gz XAYSGDNERMQDSI-QAPCUYQASA-N 2 1 305.466 3.175 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)s3)C2)[C@H]1C(C)C ZINC000922391278 621032370 /nfs/dbraw/zinc/03/23/70/621032370.db2.gz BBQFHISCIDNASY-BRSBDYLESA-N 2 1 322.518 3.016 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000922387821 621032519 /nfs/dbraw/zinc/03/25/19/621032519.db2.gz BBZUMJMKTQIISW-SPBYYHCPSA-N 2 1 320.521 3.048 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3CCCCC3)C2)[C@@H]1C(C)C ZINC000922391808 621033038 /nfs/dbraw/zinc/03/30/38/621033038.db2.gz HIFCZNMPPGVNQP-AKHDSKFASA-N 2 1 308.510 3.026 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)s3)C2)[C@@H]1C(C)C ZINC000922391280 621033078 /nfs/dbraw/zinc/03/30/78/621033078.db2.gz BBQFHISCIDNASY-ZJPYXAASSA-N 2 1 322.518 3.016 20 0 DGADMP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(Cl)n1 ZINC000857022948 621046275 /nfs/dbraw/zinc/04/62/75/621046275.db2.gz JNICNVUQPHDORJ-UHFFFAOYSA-N 2 1 324.900 3.162 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000857850455 621122430 /nfs/dbraw/zinc/12/24/30/621122430.db2.gz XYLSABRAMXNDEJ-GOSISDBHSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000857850455 621122432 /nfs/dbraw/zinc/12/24/32/621122432.db2.gz XYLSABRAMXNDEJ-GOSISDBHSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857850455 621122434 /nfs/dbraw/zinc/12/24/34/621122434.db2.gz XYLSABRAMXNDEJ-GOSISDBHSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857850455 621122435 /nfs/dbraw/zinc/12/24/35/621122435.db2.gz XYLSABRAMXNDEJ-GOSISDBHSA-N 2 1 312.461 3.417 20 0 DGADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000857913746 621131628 /nfs/dbraw/zinc/13/16/28/621131628.db2.gz FLKQTDRYXVZHRH-ZBFHGGJFSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000857913746 621131629 /nfs/dbraw/zinc/13/16/29/621131629.db2.gz FLKQTDRYXVZHRH-ZBFHGGJFSA-N 2 1 319.880 3.434 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)[C@H]1c1cccs1 ZINC000858145579 621157948 /nfs/dbraw/zinc/15/79/48/621157948.db2.gz YPRBNXNOAUOXLL-YOEHRIQHSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)[C@H]1c1cccs1 ZINC000858145579 621157950 /nfs/dbraw/zinc/15/79/50/621157950.db2.gz YPRBNXNOAUOXLL-YOEHRIQHSA-N 2 1 319.449 3.455 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307499 621173531 /nfs/dbraw/zinc/17/35/31/621173531.db2.gz XGZTYDRCZOBMRR-CXAGYDPISA-N 2 1 320.864 3.244 20 0 DGADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](c2ccccc2)CO1 ZINC000923314007 621174488 /nfs/dbraw/zinc/17/44/88/621174488.db2.gz PDFHWBOPIGFNBK-MWDBYQCVSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](c2ccsc2)O1 ZINC000923316249 621174791 /nfs/dbraw/zinc/17/47/91/621174791.db2.gz FWEXCMLINVWKGU-HJYMDDGLSA-N 2 1 320.502 3.431 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316736 621174846 /nfs/dbraw/zinc/17/48/46/621174846.db2.gz NFYQASANPIPDPF-VBQJREDUSA-N 2 1 322.880 3.142 20 0 DGADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000923336574 621176795 /nfs/dbraw/zinc/17/67/95/621176795.db2.gz WJBVLRFZDHGJAA-IUODEOHRSA-N 2 1 317.260 3.101 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000923374411 621179254 /nfs/dbraw/zinc/17/92/54/621179254.db2.gz SWVJEYYJHAMYNE-JKSUJKDBSA-N 2 1 314.832 3.010 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)c1ccc(Cl)cc1Cl ZINC000923423944 621182515 /nfs/dbraw/zinc/18/25/15/621182515.db2.gz CWOGEIYKWRNJPQ-HNNXBMFYSA-N 2 1 319.276 3.478 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923422369 621182817 /nfs/dbraw/zinc/18/28/17/621182817.db2.gz QNBSGQQWXSDCLQ-KRWDZBQOSA-N 2 1 320.502 3.317 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923422369 621182819 /nfs/dbraw/zinc/18/28/19/621182819.db2.gz QNBSGQQWXSDCLQ-KRWDZBQOSA-N 2 1 320.502 3.317 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1ccccc1C(F)(F)F ZINC000923427148 621183269 /nfs/dbraw/zinc/18/32/69/621183269.db2.gz SHTISJRJVGNXNF-OAHLLOKOSA-N 2 1 318.383 3.190 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000923484440 621187633 /nfs/dbraw/zinc/18/76/33/621187633.db2.gz ZOXSDCJWRZOCTD-GFCCVEGCSA-N 2 1 305.422 3.120 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1C[NH3+] ZINC000923495393 621187651 /nfs/dbraw/zinc/18/76/51/621187651.db2.gz BSIAWDNXGSSONI-PWSUYJOCSA-N 2 1 315.230 3.005 20 0 DGADMP [NH3+]CC[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000923486195 621187784 /nfs/dbraw/zinc/18/77/84/621187784.db2.gz CRRYWEJKZAMAQV-LPHOPBHVSA-N 2 1 323.440 3.037 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)o1 ZINC000923494850 621188159 /nfs/dbraw/zinc/18/81/59/621188159.db2.gz PJFRDJQLHITDRC-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1C[NH3+] ZINC000923502658 621188911 /nfs/dbraw/zinc/18/89/11/621188911.db2.gz YAIQYHIPIZPHCX-HOTGVXAUSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923497970 621188914 /nfs/dbraw/zinc/18/89/14/621188914.db2.gz NTNQUGVWAMQQNN-JSGCOSHPSA-N 2 1 316.367 3.044 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1C[NH3+] ZINC000923499803 621189273 /nfs/dbraw/zinc/18/92/73/621189273.db2.gz UFYKZEVUZJOCBR-UKRRQHHQSA-N 2 1 301.459 3.227 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC000923504651 621189839 /nfs/dbraw/zinc/18/98/39/621189839.db2.gz SCWGWWSCGGPOOK-RHSMWYFYSA-N 2 1 302.462 3.231 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530333 621191934 /nfs/dbraw/zinc/19/19/34/621191934.db2.gz IAOKTEOIEZPOLH-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530333 621191936 /nfs/dbraw/zinc/19/19/36/621191936.db2.gz IAOKTEOIEZPOLH-HKUYNNGSSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858447468 621192060 /nfs/dbraw/zinc/19/20/60/621192060.db2.gz UUUXQJCMDKCSBW-MRXNPFEDSA-N 2 1 317.477 3.055 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492327 621209799 /nfs/dbraw/zinc/20/97/99/621209799.db2.gz HTDSLEUESWMYGW-IEBWSBKVSA-N 3 1 303.494 3.177 20 0 DGADMP Cc1nc(CC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000859212546 621261253 /nfs/dbraw/zinc/26/12/53/621261253.db2.gz PNTSDFARMAPEDV-UHFFFAOYSA-N 2 1 303.475 3.188 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc(Cl)n2)cc1 ZINC000859213708 621261345 /nfs/dbraw/zinc/26/13/45/621261345.db2.gz ACPYKTVZXCCGKN-UHFFFAOYSA-N 2 1 303.837 3.429 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(Cl)n2)cc1 ZINC000859213708 621261346 /nfs/dbraw/zinc/26/13/46/621261346.db2.gz ACPYKTVZXCCGKN-UHFFFAOYSA-N 2 1 303.837 3.429 20 0 DGADMP C[N@H+](CC1CC[NH+](C)CC1)CN1c2cccc3cccc(c23)C1=O ZINC000103462238 621378669 /nfs/dbraw/zinc/37/86/69/621378669.db2.gz IEAWJDZWKYSVFA-UHFFFAOYSA-N 2 1 323.440 3.031 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1c2cccc3cccc(c23)C1=O ZINC000103462238 621378671 /nfs/dbraw/zinc/37/86/71/621378671.db2.gz IEAWJDZWKYSVFA-UHFFFAOYSA-N 2 1 323.440 3.031 20 0 DGADMP Cc1c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccnc1F ZINC000862308553 621573848 /nfs/dbraw/zinc/57/38/48/621573848.db2.gz FPODFDOWVHAWQS-GDBMZVCRSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccnc1F ZINC000862308553 621573850 /nfs/dbraw/zinc/57/38/50/621573850.db2.gz FPODFDOWVHAWQS-GDBMZVCRSA-N 2 1 305.441 3.272 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000756574528 621650327 /nfs/dbraw/zinc/65/03/27/621650327.db2.gz MXECRGRLDFRJIY-OALUTQOASA-N 2 1 317.477 3.156 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)sc2c1C[NH2+]CC2 ZINC000864050056 621732173 /nfs/dbraw/zinc/73/21/73/621732173.db2.gz SIXNABFCGKGSJZ-WMLDXEAASA-N 2 1 320.502 3.175 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)sc2c1C[NH2+]CC2 ZINC000864050055 621732257 /nfs/dbraw/zinc/73/22/57/621732257.db2.gz SIXNABFCGKGSJZ-RHSMWYFYSA-N 2 1 320.502 3.175 20 0 DGADMP CCCCCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000759405528 621854182 /nfs/dbraw/zinc/85/41/82/621854182.db2.gz ZBGDEYBKPOGNEJ-NEWSRXKRSA-N 2 1 308.510 3.266 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000865595125 621958660 /nfs/dbraw/zinc/95/86/60/621958660.db2.gz BNGIXPJCSTXUSV-UHFFFAOYSA-N 2 1 301.409 3.338 20 0 DGADMP CCN(CC[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000760828332 621967083 /nfs/dbraw/zinc/96/70/83/621967083.db2.gz RKIOJJBGHMBPET-UYAOXDASSA-N 2 1 315.505 3.240 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660168 621973080 /nfs/dbraw/zinc/97/30/80/621973080.db2.gz JMHIOJQXFPKXJV-QAPCUYQASA-N 2 1 313.420 3.078 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660168 621973082 /nfs/dbraw/zinc/97/30/82/621973082.db2.gz JMHIOJQXFPKXJV-QAPCUYQASA-N 2 1 313.420 3.078 20 0 DGADMP Cc1c[nH]nc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718227 621982790 /nfs/dbraw/zinc/98/27/90/621982790.db2.gz VUGLPUXMBBGEAU-UHFFFAOYSA-N 2 1 312.461 3.110 20 0 DGADMP C[NH+](C)C1(C)CCC([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000865764775 621991403 /nfs/dbraw/zinc/99/14/03/621991403.db2.gz AYTCYYPWDHBXLI-UHFFFAOYSA-N 2 1 312.461 3.429 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866243289 622074510 /nfs/dbraw/zinc/07/45/10/622074510.db2.gz XRLNBEGRIARESI-AUUYWEPGSA-N 2 1 320.452 3.150 20 0 DGADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]CCc1c[nH+]cn1C ZINC000866342385 622098152 /nfs/dbraw/zinc/09/81/52/622098152.db2.gz RYAKFODRHVNPLX-HNNXBMFYSA-N 2 1 308.429 3.122 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000866390789 622109401 /nfs/dbraw/zinc/10/94/01/622109401.db2.gz SUYAWSGODJNSDG-AEFFLSMTSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000866390789 622109402 /nfs/dbraw/zinc/10/94/02/622109402.db2.gz SUYAWSGODJNSDG-AEFFLSMTSA-N 2 1 301.478 3.399 20 0 DGADMP COC(=O)/C(C)=C/C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000763435091 622145595 /nfs/dbraw/zinc/14/55/95/622145595.db2.gz YWUMQFJPSFSOCP-BNSMALCHSA-N 2 1 322.493 3.082 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000866635261 622151223 /nfs/dbraw/zinc/15/12/23/622151223.db2.gz OHBDPEVXXGKANV-RACLHMPKSA-N 2 1 316.489 3.321 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000866704197 622158032 /nfs/dbraw/zinc/15/80/32/622158032.db2.gz MTQVNWKHYNHQPS-IBGZPJMESA-N 2 1 312.461 3.069 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CCCC[NH+](C)C)c2C1 ZINC000764935043 622233962 /nfs/dbraw/zinc/23/39/62/622233962.db2.gz QGLXHRDCMPOCML-UHFFFAOYSA-N 2 1 317.477 3.329 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000765141703 622249034 /nfs/dbraw/zinc/24/90/34/622249034.db2.gz OLDOKVWLSLLSDN-OAHLLOKOSA-N 2 1 309.417 3.118 20 0 DGADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)C1 ZINC000765453037 622265948 /nfs/dbraw/zinc/26/59/48/622265948.db2.gz JJPAWMAIYACFNR-FXAWDEMLSA-N 2 1 321.553 3.351 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000765486429 622267623 /nfs/dbraw/zinc/26/76/23/622267623.db2.gz YYQKJRVXHGJTNX-WDSOQIARSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000765486429 622267627 /nfs/dbraw/zinc/26/76/27/622267627.db2.gz YYQKJRVXHGJTNX-WDSOQIARSA-N 2 1 304.478 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000765774539 622286481 /nfs/dbraw/zinc/28/64/81/622286481.db2.gz DWKXZRWEKPDDLO-OALUTQOASA-N 2 1 309.542 3.353 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000765774539 622286484 /nfs/dbraw/zinc/28/64/84/622286484.db2.gz DWKXZRWEKPDDLO-OALUTQOASA-N 2 1 309.542 3.353 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765792170 622287364 /nfs/dbraw/zinc/28/73/64/622287364.db2.gz PHIHKLYJWWDQBO-AABGKKOBSA-N 2 1 316.489 3.097 20 0 DGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765792170 622287365 /nfs/dbraw/zinc/28/73/65/622287365.db2.gz PHIHKLYJWWDQBO-AABGKKOBSA-N 2 1 316.489 3.097 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000765977586 622297780 /nfs/dbraw/zinc/29/77/80/622297780.db2.gz QSJARESISCRPGY-HOTGVXAUSA-N 2 1 308.491 3.432 20 0 DGADMP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765980510 622298508 /nfs/dbraw/zinc/29/85/08/622298508.db2.gz ZZKVZIRKNQRKGT-HOCLYGCPSA-N 2 1 314.539 3.140 20 0 DGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000767371255 622394143 /nfs/dbraw/zinc/39/41/43/622394143.db2.gz NYJFCKCPJAUBSC-RLLQIKCJSA-N 2 1 314.473 3.023 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3cccc(OC)c3o2)CC1 ZINC000768233748 622446520 /nfs/dbraw/zinc/44/65/20/622446520.db2.gz RICKTQILNSYAQT-UHFFFAOYSA-N 2 1 302.418 3.358 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3cccc(OC)c3o2)CC1 ZINC000768233748 622446522 /nfs/dbraw/zinc/44/65/22/622446522.db2.gz RICKTQILNSYAQT-UHFFFAOYSA-N 2 1 302.418 3.358 20 0 DGADMP CSc1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871785584 622697165 /nfs/dbraw/zinc/69/71/65/622697165.db2.gz WCMMNPXYENTSHY-GOOCMWNKSA-N 2 1 319.474 3.280 20 0 DGADMP CSc1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871785584 622697168 /nfs/dbraw/zinc/69/71/68/622697168.db2.gz WCMMNPXYENTSHY-GOOCMWNKSA-N 2 1 319.474 3.280 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000871798609 622702520 /nfs/dbraw/zinc/70/25/20/622702520.db2.gz MZEYRPFSVSHYCQ-UWOCAKRYSA-N 2 1 304.438 3.001 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCCOC1 ZINC000872035913 622765998 /nfs/dbraw/zinc/76/59/98/622765998.db2.gz ZKXMXYWWYNMZQC-OALUTQOASA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000872036382 622766983 /nfs/dbraw/zinc/76/69/83/622766983.db2.gz USOZWLLFFXXERQ-RYQLBKOJSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872051997 622777501 /nfs/dbraw/zinc/77/75/01/622777501.db2.gz MAJFUAHONSGTLC-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000872087148 622797291 /nfs/dbraw/zinc/79/72/91/622797291.db2.gz GIXDBRXUBSHKFJ-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP COCC(C)(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000872105359 622807940 /nfs/dbraw/zinc/80/79/40/622807940.db2.gz HMOJYTCLZFRLAI-UHFFFAOYSA-N 2 1 318.505 3.346 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872150122 622833222 /nfs/dbraw/zinc/83/32/22/622833222.db2.gz TXMNBHGLVZZUPT-FMKPAKJESA-N 2 1 312.379 3.176 20 0 DGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c1C ZINC000872155296 622834892 /nfs/dbraw/zinc/83/48/92/622834892.db2.gz GVYKNHPHYFQLFN-INIZCTEOSA-N 2 1 305.466 3.081 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1C(F)(F)F ZINC000872152142 622835349 /nfs/dbraw/zinc/83/53/49/622835349.db2.gz ZLVWIWPWPBAWSB-GXFFZTMASA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2csc3ccccc23)C[C@H]1C(F)(F)F ZINC000872152142 622835356 /nfs/dbraw/zinc/83/53/56/622835356.db2.gz ZLVWIWPWPBAWSB-GXFFZTMASA-N 2 1 314.376 3.470 20 0 DGADMP CCc1nocc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156003 622836138 /nfs/dbraw/zinc/83/61/38/622836138.db2.gz CHCUKLNQDNCZFS-WMLDXEAASA-N 2 1 305.466 3.357 20 0 DGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155822 622836158 /nfs/dbraw/zinc/83/61/58/622836158.db2.gz WUCZRWZLCGKVCR-UHFFFAOYSA-N 2 1 301.434 3.110 20 0 DGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000872155777 622836192 /nfs/dbraw/zinc/83/61/92/622836192.db2.gz ZEGPNUICYOTVER-INIZCTEOSA-N 2 1 305.466 3.081 20 0 DGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000872155778 622837051 /nfs/dbraw/zinc/83/70/51/622837051.db2.gz ZEGPNUICYOTVER-MRXNPFEDSA-N 2 1 305.466 3.081 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000790057246 625598703 /nfs/dbraw/zinc/59/87/03/625598703.db2.gz ZWVGQJPYOMDULP-GOSISDBHSA-N 2 1 316.489 3.195 20 0 DGADMP COc1cccc(-c2nc(C[N@@H+](C)CCCCCC[NH3+])co2)c1 ZINC000872156658 622838517 /nfs/dbraw/zinc/83/85/17/622838517.db2.gz KZSCKPXUFMNIQO-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP Cc1noc([C@H](C)[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156309 622838556 /nfs/dbraw/zinc/83/85/56/622838556.db2.gz HQNOJXGHUDWRRV-NOLJZWGESA-N 2 1 306.454 3.059 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C/C=C(\C)C(=O)OC)CC1)CC(C)C ZINC000773737964 623065820 /nfs/dbraw/zinc/06/58/20/623065820.db2.gz WUHRQGIHSBUSLL-REZTVBANSA-N 2 1 324.509 3.186 20 0 DGADMP C[N@@H+](CCOc1ccc(F)cc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201378 623073370 /nfs/dbraw/zinc/07/33/70/623073370.db2.gz RSELQFONYXRBDZ-UHFFFAOYSA-N 2 1 320.433 3.044 20 0 DGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206625 623074531 /nfs/dbraw/zinc/07/45/31/623074531.db2.gz CWWFVGZFMABCIK-KGLIPLIRSA-N 2 1 310.532 3.500 20 0 DGADMP Fc1cccc2c1CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873204900 623074884 /nfs/dbraw/zinc/07/48/84/623074884.db2.gz KTSDNEATQPTSIB-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP Fc1cccc2c1CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873204900 623074890 /nfs/dbraw/zinc/07/48/90/623074890.db2.gz KTSDNEATQPTSIB-UHFFFAOYSA-N 2 1 302.418 3.091 20 0 DGADMP CCn1cc(C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C(C)C)cn1 ZINC000873214012 623077162 /nfs/dbraw/zinc/07/71/62/623077162.db2.gz UQBYQBOHZKJAMX-UHFFFAOYSA-N 2 1 318.490 3.021 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000873223422 623080408 /nfs/dbraw/zinc/08/04/08/623080408.db2.gz MSRMGMSLJZZNQB-KRWDZBQOSA-N 2 1 318.490 3.335 20 0 DGADMP CCn1nc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c2ccccc21 ZINC000873223821 623081167 /nfs/dbraw/zinc/08/11/67/623081167.db2.gz SUZYAHBGVRXUHS-IBGZPJMESA-N 2 1 314.477 3.253 20 0 DGADMP CCn1nc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c2ccccc21 ZINC000873223821 623081171 /nfs/dbraw/zinc/08/11/71/623081171.db2.gz SUZYAHBGVRXUHS-IBGZPJMESA-N 2 1 314.477 3.253 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000873223786 623081924 /nfs/dbraw/zinc/08/19/24/623081924.db2.gz SEROMUNVCDJKAO-WMLDXEAASA-N 2 1 323.506 3.192 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000873223786 623081932 /nfs/dbraw/zinc/08/19/32/623081932.db2.gz SEROMUNVCDJKAO-WMLDXEAASA-N 2 1 323.506 3.192 20 0 DGADMP CC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000873229155 623083199 /nfs/dbraw/zinc/08/31/99/623083199.db2.gz YENXWZJRBQTJET-VHDGCEQUSA-N 2 1 300.368 3.249 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+](C)CCCCCC[NH3+])s2)cn1 ZINC000873231903 623085214 /nfs/dbraw/zinc/08/52/14/623085214.db2.gz YGRZYYDVGTVVLD-UHFFFAOYSA-N 2 1 306.479 3.100 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(OC(F)F)c(F)c1 ZINC000873231604 623085315 /nfs/dbraw/zinc/08/53/15/623085315.db2.gz ROOPOUCQUOIYHL-UHFFFAOYSA-N 2 1 304.356 3.378 20 0 DGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000774212118 623120895 /nfs/dbraw/zinc/12/08/95/623120895.db2.gz YSDVZPYACYFHCE-FBVQUNGASA-N 2 1 321.896 3.158 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000774212118 623120897 /nfs/dbraw/zinc/12/08/97/623120897.db2.gz YSDVZPYACYFHCE-FBVQUNGASA-N 2 1 321.896 3.158 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000774212118 623120899 /nfs/dbraw/zinc/12/08/99/623120899.db2.gz YSDVZPYACYFHCE-FBVQUNGASA-N 2 1 321.896 3.158 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000774368522 623137137 /nfs/dbraw/zinc/13/71/37/623137137.db2.gz PZFQXMRAYDEBQG-IYWMVGAKSA-N 2 1 312.457 3.464 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000774978818 623212871 /nfs/dbraw/zinc/21/28/71/623212871.db2.gz NNEKKEKQNCQDST-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000774978818 623212874 /nfs/dbraw/zinc/21/28/74/623212874.db2.gz NNEKKEKQNCQDST-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774977155 623212914 /nfs/dbraw/zinc/21/29/14/623212914.db2.gz NEQQZPYFQFORHY-UHFFFAOYSA-N 2 1 322.250 3.442 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CCCCC1 ZINC000775367540 623261408 /nfs/dbraw/zinc/26/14/08/623261408.db2.gz WYJQKXQMLNESRY-RBSFLKMASA-N 2 1 314.564 3.220 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775385531 623264080 /nfs/dbraw/zinc/26/40/80/623264080.db2.gz LKNCYRCQIRCORX-LVQVYYBASA-N 2 1 314.564 3.076 20 0 DGADMP CN(C)c1ccc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000775883323 623346085 /nfs/dbraw/zinc/34/60/85/623346085.db2.gz UWBUVAPUFCMPNT-HXUWFJFHSA-N 2 1 315.505 3.416 20 0 DGADMP CCC[C@@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000776034048 623368140 /nfs/dbraw/zinc/36/81/40/623368140.db2.gz YJUKLNHGIRKICT-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000776161155 623385595 /nfs/dbraw/zinc/38/55/95/623385595.db2.gz UJQFKSRYTLUSKE-RCCFBDPRSA-N 2 1 308.510 3.436 20 0 DGADMP CO[C@@H](C)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692920 623557035 /nfs/dbraw/zinc/55/70/35/623557035.db2.gz GPAPQSSIGAAHNH-HOTGVXAUSA-N 2 1 319.493 3.300 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000125912039 623596643 /nfs/dbraw/zinc/59/66/43/623596643.db2.gz VGOKQNCMMTUCGR-WFASDCNBSA-N 2 1 305.853 3.436 20 0 DGADMP Fc1cccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cnc12 ZINC000876756994 623698813 /nfs/dbraw/zinc/69/88/13/623698813.db2.gz CAMHHIGNZXTCMO-OAHLLOKOSA-N 2 1 313.420 3.292 20 0 DGADMP Fc1cccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cnc12 ZINC000876756994 623698815 /nfs/dbraw/zinc/69/88/15/623698815.db2.gz CAMHHIGNZXTCMO-OAHLLOKOSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+](C)CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876886866 623736614 /nfs/dbraw/zinc/73/66/14/623736614.db2.gz CCEUSBNQQGEARG-UHFFFAOYSA-N 2 1 307.438 3.075 20 0 DGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000877585238 623951403 /nfs/dbraw/zinc/95/14/03/623951403.db2.gz QJXFRVLZERTHGL-ZWKOTPCHSA-N 2 1 304.478 3.303 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000877653894 623978922 /nfs/dbraw/zinc/97/89/22/623978922.db2.gz QZDSAUZYFORODX-MDOVXXIYSA-N 2 1 304.415 3.031 20 0 DGADMP COCC[N@H+](Cc1cc(Cl)cs1)CC1CC[NH+](C)CC1 ZINC000877664749 623984175 /nfs/dbraw/zinc/98/41/75/623984175.db2.gz VKQNEFPKZPEHHR-UHFFFAOYSA-N 2 1 316.898 3.192 20 0 DGADMP Cc1ccncc1CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000877674563 623988367 /nfs/dbraw/zinc/98/83/67/623988367.db2.gz RPVXKYGWRJRWPN-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1F ZINC000877741374 624013542 /nfs/dbraw/zinc/01/35/42/624013542.db2.gz MWJMWWKAXVQPMR-YXJHDRRASA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC000877741374 624013545 /nfs/dbraw/zinc/01/35/45/624013545.db2.gz MWJMWWKAXVQPMR-YXJHDRRASA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1F ZINC000877741374 624013548 /nfs/dbraw/zinc/01/35/48/624013548.db2.gz MWJMWWKAXVQPMR-YXJHDRRASA-N 2 1 320.452 3.039 20 0 DGADMP COCc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000877767397 624028376 /nfs/dbraw/zinc/02/83/76/624028376.db2.gz HILMIOVFKDSLSN-UHFFFAOYSA-N 2 1 308.466 3.226 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000877974998 624120000 /nfs/dbraw/zinc/12/00/00/624120000.db2.gz ARFCUABQTDAXBE-GBESFXJTSA-N 2 1 308.510 3.388 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000877974997 624120190 /nfs/dbraw/zinc/12/01/90/624120190.db2.gz ARFCUABQTDAXBE-FHWLQOOXSA-N 2 1 308.510 3.388 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878198719 624212015 /nfs/dbraw/zinc/21/20/15/624212015.db2.gz YHOUMMRBHMHMLZ-FYQPLNBISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878198719 624212018 /nfs/dbraw/zinc/21/20/18/624212018.db2.gz YHOUMMRBHMHMLZ-FYQPLNBISA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878198719 624212019 /nfs/dbraw/zinc/21/20/19/624212019.db2.gz YHOUMMRBHMHMLZ-FYQPLNBISA-N 2 1 314.473 3.323 20 0 DGADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)OC1 ZINC000878285605 624235985 /nfs/dbraw/zinc/23/59/85/624235985.db2.gz CYJQJEVKUJZKQD-KBAYOESNSA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)OC1 ZINC000878285605 624235988 /nfs/dbraw/zinc/23/59/88/624235988.db2.gz CYJQJEVKUJZKQD-KBAYOESNSA-N 2 1 306.494 3.140 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)OC1 ZINC000878285605 624235991 /nfs/dbraw/zinc/23/59/91/624235991.db2.gz CYJQJEVKUJZKQD-KBAYOESNSA-N 2 1 306.494 3.140 20 0 DGADMP CCOCOc1ccc(CNCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000782948865 624293326 /nfs/dbraw/zinc/29/33/26/624293326.db2.gz CBEXMUJGWFMMDY-QGZVFWFLSA-N 2 1 320.477 3.414 20 0 DGADMP CCOCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000782948865 624293329 /nfs/dbraw/zinc/29/33/29/624293329.db2.gz CBEXMUJGWFMMDY-QGZVFWFLSA-N 2 1 320.477 3.414 20 0 DGADMP CCOCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000782948865 624293331 /nfs/dbraw/zinc/29/33/31/624293331.db2.gz CBEXMUJGWFMMDY-QGZVFWFLSA-N 2 1 320.477 3.414 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc4c3CCOC4)C2)CC1 ZINC000878549629 624305252 /nfs/dbraw/zinc/30/52/52/624305252.db2.gz MXOMZSLVALMFMS-UHFFFAOYSA-N 2 1 314.473 3.067 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H]3C)CC2)cs1 ZINC000783241998 624329182 /nfs/dbraw/zinc/32/91/82/624329182.db2.gz YXBRGAOPCHNPNB-BBRMVZONSA-N 2 1 307.507 3.306 20 0 DGADMP C=C/C=C/CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019119 624408935 /nfs/dbraw/zinc/40/89/35/624408935.db2.gz OTEZKEMIVFHWNV-OVKVCFKUSA-N 2 1 315.461 3.119 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000879210231 624452180 /nfs/dbraw/zinc/45/21/80/624452180.db2.gz WYZMGMZSQHJCMD-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP O[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000879245188 624460204 /nfs/dbraw/zinc/46/02/04/624460204.db2.gz JBTNHLARQDCGGP-OALUTQOASA-N 2 1 302.462 3.060 20 0 DGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(OC)c1OC ZINC000879465286 624558408 /nfs/dbraw/zinc/55/84/08/624558408.db2.gz BJKRADUZHKJWFS-MRXNPFEDSA-N 2 1 317.433 3.111 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570831 624593612 /nfs/dbraw/zinc/59/36/12/624593612.db2.gz JIIICXWBGAYVKA-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570831 624593613 /nfs/dbraw/zinc/59/36/13/624593613.db2.gz JIIICXWBGAYVKA-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570831 624593618 /nfs/dbraw/zinc/59/36/18/624593618.db2.gz JIIICXWBGAYVKA-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570831 624593620 /nfs/dbraw/zinc/59/36/20/624593620.db2.gz JIIICXWBGAYVKA-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570831 624593622 /nfs/dbraw/zinc/59/36/22/624593622.db2.gz JIIICXWBGAYVKA-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[C@H](CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580755 624598656 /nfs/dbraw/zinc/59/86/56/624598656.db2.gz JWTNEOWHRAVYPB-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OCc1ccccc1 ZINC000879580755 624598659 /nfs/dbraw/zinc/59/86/59/624598659.db2.gz JWTNEOWHRAVYPB-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OCc1ccccc1 ZINC000879580755 624598664 /nfs/dbraw/zinc/59/86/64/624598664.db2.gz JWTNEOWHRAVYPB-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OCc1ccccc1 ZINC000879580755 624598670 /nfs/dbraw/zinc/59/86/70/624598670.db2.gz JWTNEOWHRAVYPB-NEWSRXKRSA-N 2 1 302.462 3.008 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580554 624599078 /nfs/dbraw/zinc/59/90/78/624599078.db2.gz UCMVBONCPZMKJU-OTWHNJEPSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580554 624599084 /nfs/dbraw/zinc/59/90/84/624599084.db2.gz UCMVBONCPZMKJU-OTWHNJEPSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580554 624599089 /nfs/dbraw/zinc/59/90/89/624599089.db2.gz UCMVBONCPZMKJU-OTWHNJEPSA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580554 624599094 /nfs/dbraw/zinc/59/90/94/624599094.db2.gz UCMVBONCPZMKJU-OTWHNJEPSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1cnccc1CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951205 624730379 /nfs/dbraw/zinc/73/03/79/624730379.db2.gz KFTYPTJQKNBQGT-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCc2cccnc2)CC1 ZINC000880254569 624871364 /nfs/dbraw/zinc/87/13/64/624871364.db2.gz GVWRJUHDQILPLE-UHFFFAOYSA-N 2 1 301.478 3.355 20 0 DGADMP FC[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](CF)C3)cc2)C1 ZINC000880294130 624898033 /nfs/dbraw/zinc/89/80/33/624898033.db2.gz HXNMFRBBMJWDEW-ROUUACIJSA-N 2 1 308.416 3.269 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000880517856 624971362 /nfs/dbraw/zinc/97/13/62/624971362.db2.gz XTWWQTVAEBYVOO-UHFFFAOYSA-N 2 1 322.449 3.154 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577786 624982398 /nfs/dbraw/zinc/98/23/98/624982398.db2.gz KUSBTDWCSWKKSZ-GOSISDBHSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577786 624982400 /nfs/dbraw/zinc/98/24/00/624982400.db2.gz KUSBTDWCSWKKSZ-GOSISDBHSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577786 624982403 /nfs/dbraw/zinc/98/24/03/624982403.db2.gz KUSBTDWCSWKKSZ-GOSISDBHSA-N 2 1 305.466 3.110 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000787423969 625008482 /nfs/dbraw/zinc/00/84/82/625008482.db2.gz OEAIKUZYFLUTMD-GOSISDBHSA-N 2 1 320.477 3.158 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000787423969 625008484 /nfs/dbraw/zinc/00/84/84/625008484.db2.gz OEAIKUZYFLUTMD-GOSISDBHSA-N 2 1 320.477 3.158 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)cc(C)c(COC)c2C)C1 ZINC000882899643 625851160 /nfs/dbraw/zinc/85/11/60/625851160.db2.gz SCBJYIFUXLIJRW-QGZVFWFLSA-N 2 1 304.478 3.190 20 0 DGADMP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000882993098 625889514 /nfs/dbraw/zinc/88/95/14/625889514.db2.gz HLRXQNGQCXMWGS-BCDXTJNWSA-N 2 1 306.494 3.190 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883173322 625953165 /nfs/dbraw/zinc/95/31/65/625953165.db2.gz ILCCIYANBIXDKT-BEFAXECRSA-N 2 1 320.452 3.225 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+]1C ZINC000883192981 625964063 /nfs/dbraw/zinc/96/40/63/625964063.db2.gz LTQUZYHLXURSPO-ZMYBRWDISA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+]1C ZINC000883192981 625964068 /nfs/dbraw/zinc/96/40/68/625964068.db2.gz LTQUZYHLXURSPO-ZMYBRWDISA-N 2 1 320.452 3.366 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796670036 626071578 /nfs/dbraw/zinc/07/15/78/626071578.db2.gz AFLZOHXGUVRYQB-SQNIBIBYSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000796691801 626073537 /nfs/dbraw/zinc/07/35/37/626073537.db2.gz DNBIACSOXRJOKO-BHYGNILZSA-N 2 1 306.425 3.057 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3csc(C4CC4)n3)C2)CC1 ZINC000798956838 626262444 /nfs/dbraw/zinc/26/24/44/626262444.db2.gz CKIMOCKYQDQJCE-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3csc(C4CC4)n3)C2)CC1 ZINC000798956838 626262446 /nfs/dbraw/zinc/26/24/46/626262446.db2.gz CKIMOCKYQDQJCE-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000799164053 626276763 /nfs/dbraw/zinc/27/67/63/626276763.db2.gz OXGUKSBQYLFZRG-UHFFFAOYSA-N 2 1 324.900 3.464 20 0 DGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179324 626277745 /nfs/dbraw/zinc/27/77/45/626277745.db2.gz IRSFXFSKDDLGIO-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000800972005 626387159 /nfs/dbraw/zinc/38/71/59/626387159.db2.gz ZXWQZSQVAHZSRJ-CGTJXYLNSA-N 2 1 312.473 3.138 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000883316542 626644168 /nfs/dbraw/zinc/64/41/68/626644168.db2.gz BZEIZTMFEVNNSW-HDICACEKSA-N 2 1 304.478 3.159 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883424339 626679519 /nfs/dbraw/zinc/67/95/19/626679519.db2.gz ONFWTXKTWTVDFV-HDDXRBDOSA-N 2 1 300.446 3.251 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CCCCC1 ZINC000883430135 626680889 /nfs/dbraw/zinc/68/08/89/626680889.db2.gz NTPGEKNQYKZWDA-FHWLQOOXSA-N 2 1 302.462 3.404 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883429990 626680916 /nfs/dbraw/zinc/68/09/16/626680916.db2.gz KRIWXMLNQBRXBH-AABGKKOBSA-N 2 1 314.473 3.372 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000883439251 626682695 /nfs/dbraw/zinc/68/26/95/626682695.db2.gz MYYQSWTZXKTBBW-QGZVFWFLSA-N 2 1 303.475 3.493 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000883439251 626682696 /nfs/dbraw/zinc/68/26/96/626682696.db2.gz MYYQSWTZXKTBBW-QGZVFWFLSA-N 2 1 303.475 3.493 20 0 DGADMP COc1cccc(SCC[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883459464 626686616 /nfs/dbraw/zinc/68/66/16/626686616.db2.gz YDVLPCZWKBXHBJ-UHFFFAOYSA-N 2 1 306.475 3.005 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883459464 626686617 /nfs/dbraw/zinc/68/66/17/626686617.db2.gz YDVLPCZWKBXHBJ-UHFFFAOYSA-N 2 1 306.475 3.005 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138546 626700959 /nfs/dbraw/zinc/70/09/59/626700959.db2.gz XCFNHRWFFBMIGQ-HIFRSBDPSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138546 626700962 /nfs/dbraw/zinc/70/09/62/626700962.db2.gz XCFNHRWFFBMIGQ-HIFRSBDPSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)(C[NH2+][C@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCC1 ZINC000806161020 626702877 /nfs/dbraw/zinc/70/28/77/626702877.db2.gz HTUKDVYAXJDWEP-AWEZNQCLSA-N 2 1 307.869 3.434 20 0 DGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCC[NH+]1CCCCC1 ZINC000800193071 626823041 /nfs/dbraw/zinc/82/30/41/626823041.db2.gz CGUYCEKYNAUVAL-UHFFFAOYSA-N 2 1 310.482 3.059 20 0 DGADMP Cc1ccc2ncc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2c1 ZINC000809738777 626943900 /nfs/dbraw/zinc/94/39/00/626943900.db2.gz JFOBPRFFJJIHSB-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP Cc1cccn2c(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)cnc12 ZINC000809737795 626944162 /nfs/dbraw/zinc/94/41/62/626944162.db2.gz LIZXYQLTNPNKLB-UHFFFAOYSA-N 2 1 322.456 3.336 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000809738200 626944180 /nfs/dbraw/zinc/94/41/80/626944180.db2.gz TVJWBRFCJRLHSD-UHFFFAOYSA-N 2 1 308.429 3.257 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1sc2nc(C)nc(C)c2c1C ZINC000809749826 626946627 /nfs/dbraw/zinc/94/66/27/626946627.db2.gz KRRWANAWPKFYME-UHFFFAOYSA-N 2 1 320.506 3.390 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1sc2nc(C)nc(C)c2c1C ZINC000809749826 626946629 /nfs/dbraw/zinc/94/66/29/626946629.db2.gz KRRWANAWPKFYME-UHFFFAOYSA-N 2 1 320.506 3.390 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cnc1Cl ZINC000809755158 626947460 /nfs/dbraw/zinc/94/74/60/626947460.db2.gz GPTPEXBSHGWYHQ-MRXNPFEDSA-N 2 1 307.869 3.207 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968939 626963416 /nfs/dbraw/zinc/96/34/16/626963416.db2.gz JOJAUJAKFPNTPH-WOJBJXKFSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968939 626963418 /nfs/dbraw/zinc/96/34/18/626963418.db2.gz JOJAUJAKFPNTPH-WOJBJXKFSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127860 627109242 /nfs/dbraw/zinc/10/92/42/627109242.db2.gz VIJDXFWLJSXZJU-NEPJUHHUSA-N 2 1 310.429 3.482 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000886170372 627117007 /nfs/dbraw/zinc/11/70/07/627117007.db2.gz XJBRHEHUTBRZBI-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000886170372 627117010 /nfs/dbraw/zinc/11/70/10/627117010.db2.gz XJBRHEHUTBRZBI-AWEZNQCLSA-N 2 1 312.404 3.152 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886171562 627117290 /nfs/dbraw/zinc/11/72/90/627117290.db2.gz JJUNPUCKMIVTAW-DLBZAZTESA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886171562 627117292 /nfs/dbraw/zinc/11/72/92/627117292.db2.gz JJUNPUCKMIVTAW-DLBZAZTESA-N 2 1 305.466 3.115 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000886218507 627122394 /nfs/dbraw/zinc/12/23/94/627122394.db2.gz XIEPIOLCGIOTRT-QUCCMNQESA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000886218507 627122398 /nfs/dbraw/zinc/12/23/98/627122398.db2.gz XIEPIOLCGIOTRT-QUCCMNQESA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H](COCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000886218507 627122401 /nfs/dbraw/zinc/12/24/01/627122401.db2.gz XIEPIOLCGIOTRT-QUCCMNQESA-N 2 1 316.489 3.257 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000886225795 627123954 /nfs/dbraw/zinc/12/39/54/627123954.db2.gz BXTNTGSEQGOMFC-PMACEKPBSA-N 2 1 314.473 3.198 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886625759 627176008 /nfs/dbraw/zinc/17/60/08/627176008.db2.gz ZJARUKYCFRGUQW-LEAZDLGRSA-N 2 1 316.489 3.302 20 0 DGADMP COCC[C@@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886625760 627176271 /nfs/dbraw/zinc/17/62/71/627176271.db2.gz ZJARUKYCFRGUQW-MDNKFWRPSA-N 2 1 316.489 3.302 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000886640243 627178466 /nfs/dbraw/zinc/17/84/66/627178466.db2.gz UZMPSFJLSUMRPK-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000886640243 627178468 /nfs/dbraw/zinc/17/84/68/627178468.db2.gz UZMPSFJLSUMRPK-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000886640243 627178470 /nfs/dbraw/zinc/17/84/70/627178470.db2.gz UZMPSFJLSUMRPK-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648360 627179868 /nfs/dbraw/zinc/17/98/68/627179868.db2.gz RAJRAVHLFLFYRL-NMLBUPMWSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648360 627179870 /nfs/dbraw/zinc/17/98/70/627179870.db2.gz RAJRAVHLFLFYRL-NMLBUPMWSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648360 627179872 /nfs/dbraw/zinc/17/98/72/627179872.db2.gz RAJRAVHLFLFYRL-NMLBUPMWSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)[nH+]c1C ZINC000886659934 627182269 /nfs/dbraw/zinc/18/22/69/627182269.db2.gz YYKGGAXAZRJMKN-IKGGRYGDSA-N 2 1 303.450 3.164 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)[nH+]c1C ZINC000886662797 627183831 /nfs/dbraw/zinc/18/38/31/627183831.db2.gz MGJGOCRVTQNPQK-KRWDZBQOSA-N 2 1 305.466 3.147 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4ncccn4)C3)cc2)cn1 ZINC000886683128 627189030 /nfs/dbraw/zinc/18/90/30/627189030.db2.gz XRXWSWPGYCGSLX-QGZVFWFLSA-N 2 1 319.412 3.042 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000886828078 627209539 /nfs/dbraw/zinc/20/95/39/627209539.db2.gz WXXAQZNYENXHJF-INIZCTEOSA-N 2 1 302.462 3.056 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838142 627210921 /nfs/dbraw/zinc/21/09/21/627210921.db2.gz RTMRAXXCHYMPTR-KZNAEPCWSA-N 2 1 306.494 3.047 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876227 627212123 /nfs/dbraw/zinc/21/21/23/627212123.db2.gz YTYPCFPKIFFXDI-SLFFLAALSA-N 2 1 314.473 3.372 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1SC ZINC000886872631 627212298 /nfs/dbraw/zinc/21/22/98/627212298.db2.gz XOVLSUBTQDGZOA-GOSISDBHSA-N 2 1 320.502 3.383 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1SC ZINC000886872631 627212300 /nfs/dbraw/zinc/21/23/00/627212300.db2.gz XOVLSUBTQDGZOA-GOSISDBHSA-N 2 1 320.502 3.383 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3cccc4ccccc43)CC[C@@H]21 ZINC000815061672 627621251 /nfs/dbraw/zinc/62/12/51/627621251.db2.gz CZALPDRWGRWTOA-YYWHXJBOSA-N 2 1 324.468 3.289 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3cccc4ccccc43)CC[C@@H]21 ZINC000815061672 627621253 /nfs/dbraw/zinc/62/12/53/627621253.db2.gz CZALPDRWGRWTOA-YYWHXJBOSA-N 2 1 324.468 3.289 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3cccc4ccccc43)CC[C@@H]21 ZINC000815061672 627621255 /nfs/dbraw/zinc/62/12/55/627621255.db2.gz CZALPDRWGRWTOA-YYWHXJBOSA-N 2 1 324.468 3.289 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)Cc1ccccc1 ZINC000924579902 627651874 /nfs/dbraw/zinc/65/18/74/627651874.db2.gz NEUSZXZGZDNXNF-WOJBJXKFSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnn1C1CCC1 ZINC000924580061 627652056 /nfs/dbraw/zinc/65/20/56/627652056.db2.gz SUGXXIHCWCXIJT-INIZCTEOSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cn(C)cn1 ZINC000924587867 627653317 /nfs/dbraw/zinc/65/33/17/627653317.db2.gz XBUFDGDMSHVBAV-MRXNPFEDSA-N 2 1 312.461 3.257 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924603183 627655523 /nfs/dbraw/zinc/65/55/23/627655523.db2.gz QBURHZIAYFBBNW-VQTJNVASSA-N 2 1 316.489 3.086 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924603183 627655528 /nfs/dbraw/zinc/65/55/28/627655528.db2.gz QBURHZIAYFBBNW-VQTJNVASSA-N 2 1 316.489 3.086 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1(Cl)CC1 ZINC000924650479 627663070 /nfs/dbraw/zinc/66/30/70/627663070.db2.gz YOHSJTWXVXGVNT-OAHLLOKOSA-N 2 1 306.881 3.443 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924685653 627667497 /nfs/dbraw/zinc/66/74/97/627667497.db2.gz OYZOMTOGIHXUMH-JTDSTZFVSA-N 2 1 308.510 3.149 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924718224 627672877 /nfs/dbraw/zinc/67/28/77/627672877.db2.gz PXQYZMQPOQEHML-SFTDATJTSA-N 2 1 323.484 3.165 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755844 627676502 /nfs/dbraw/zinc/67/65/02/627676502.db2.gz XNPKAYAECSCXKG-FUHWJXTLSA-N 3 1 303.494 3.131 20 0 DGADMP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755844 627676505 /nfs/dbraw/zinc/67/65/05/627676505.db2.gz XNPKAYAECSCXKG-FUHWJXTLSA-N 2 1 303.494 3.131 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924755844 627676507 /nfs/dbraw/zinc/67/65/07/627676507.db2.gz XNPKAYAECSCXKG-FUHWJXTLSA-N 2 1 303.494 3.131 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000924783782 627679219 /nfs/dbraw/zinc/67/92/19/627679219.db2.gz YNCVWGIQYVDVOR-BYDNXPSSSA-N 2 1 314.473 3.084 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2[C@H](C)COC[C@H]2C)cc1F ZINC000924778779 627679486 /nfs/dbraw/zinc/67/94/86/627679486.db2.gz YBXMBQWEQHFYKG-CHWSQXEVSA-N 2 1 317.408 3.080 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924936508 627694599 /nfs/dbraw/zinc/69/45/99/627694599.db2.gz DPTIKCVAOYMWJS-AZUAARDMSA-N 2 1 323.484 3.167 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925134774 627711863 /nfs/dbraw/zinc/71/18/63/627711863.db2.gz RUHKZXZLYFDWRA-AWEZNQCLSA-N 2 1 301.438 3.244 20 0 DGADMP C[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925132551 627711913 /nfs/dbraw/zinc/71/19/13/627711913.db2.gz IFAIFOWMXVZJDZ-BEFAXECRSA-N 2 1 314.429 3.036 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925136634 627712465 /nfs/dbraw/zinc/71/24/65/627712465.db2.gz QAYXCKOWTFBHIM-AESZEHBQSA-N 2 1 308.491 3.146 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925136634 627712467 /nfs/dbraw/zinc/71/24/67/627712467.db2.gz QAYXCKOWTFBHIM-AESZEHBQSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC[N@@H+]1C ZINC000925140525 627712672 /nfs/dbraw/zinc/71/26/72/627712672.db2.gz JWEDKOIFVCVKIB-QMMLZNLJSA-N 2 1 323.484 3.308 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC[N@H+]1C ZINC000925140525 627712675 /nfs/dbraw/zinc/71/26/75/627712675.db2.gz JWEDKOIFVCVKIB-QMMLZNLJSA-N 2 1 323.484 3.308 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000925202594 627718614 /nfs/dbraw/zinc/71/86/14/627718614.db2.gz IJAROIQCJSNOCG-NTDBWNAOSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228042 627721075 /nfs/dbraw/zinc/72/10/75/627721075.db2.gz FWDJMCFBBOSNQW-JFIYKMOQSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228042 627721078 /nfs/dbraw/zinc/72/10/78/627721078.db2.gz FWDJMCFBBOSNQW-JFIYKMOQSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228045 627721097 /nfs/dbraw/zinc/72/10/97/627721097.db2.gz FWDJMCFBBOSNQW-RYRKJORJSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)CO ZINC000925228045 627721101 /nfs/dbraw/zinc/72/11/01/627721101.db2.gz FWDJMCFBBOSNQW-RYRKJORJSA-N 2 1 304.478 3.036 20 0 DGADMP CC1(C)C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]([NH3+])C1 ZINC000925496394 627742381 /nfs/dbraw/zinc/74/23/81/627742381.db2.gz YQWDWVKNUQLZGG-MJGOQNOKSA-N 2 1 315.505 3.147 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925497846 627742497 /nfs/dbraw/zinc/74/24/97/627742497.db2.gz ZICHCAAMIAWPKV-UZLBHIALSA-N 2 1 311.473 3.316 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000925499883 627743253 /nfs/dbraw/zinc/74/32/53/627743253.db2.gz BGBVCCKXWRPASB-WMLDXEAASA-N 2 1 322.880 3.118 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925508999 627744415 /nfs/dbraw/zinc/74/44/15/627744415.db2.gz JVVUBFBIZYTELO-XUVXKRRUSA-N 2 1 315.505 3.047 20 0 DGADMP CC1CC[NH+](CCCN[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925511164 627744795 /nfs/dbraw/zinc/74/47/95/627744795.db2.gz HTTUVHLBRNIFQK-IBGZPJMESA-N 2 1 303.494 3.178 20 0 DGADMP FC(F)Oc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925515914 627745697 /nfs/dbraw/zinc/74/56/97/627745697.db2.gz SZHBODWNUPKFAK-HNNXBMFYSA-N 2 1 310.388 3.095 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925525084 627747085 /nfs/dbraw/zinc/74/70/85/627747085.db2.gz FPPZKQSKWMWVIN-PMACEKPBSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)[NH2+]2 ZINC000925522750 627747186 /nfs/dbraw/zinc/74/71/86/627747186.db2.gz UAAAZRHHPDODSK-NMLACTOBSA-N 3 1 319.537 3.150 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925527391 627747989 /nfs/dbraw/zinc/74/79/89/627747989.db2.gz NLIHEUVHEVDMPN-OWYHZJEWSA-N 2 1 302.462 3.193 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925529196 627748397 /nfs/dbraw/zinc/74/83/97/627748397.db2.gz ZPJLRMTWWXDCKP-QYZOEREBSA-N 2 1 314.473 3.337 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925571172 627757066 /nfs/dbraw/zinc/75/70/66/627757066.db2.gz ZTRHZPHJQNKXRW-IBGZPJMESA-N 2 1 315.505 3.291 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000925588210 627759104 /nfs/dbraw/zinc/75/91/04/627759104.db2.gz OXKVFROHGGCVOD-NZSAHSFTSA-N 2 1 308.510 3.149 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925605788 627761301 /nfs/dbraw/zinc/76/13/01/627761301.db2.gz SQBOHFINYNDPAY-CGTJXYLNSA-N 2 1 318.436 3.407 20 0 DGADMP CCCCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(C)n1 ZINC000925632305 627765603 /nfs/dbraw/zinc/76/56/03/627765603.db2.gz WJXYGZOMFMNQSV-OALUTQOASA-N 2 1 318.509 3.250 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925646092 627769020 /nfs/dbraw/zinc/76/90/20/627769020.db2.gz SQBOHFINYNDPAY-NJAFHUGGSA-N 2 1 318.436 3.407 20 0 DGADMP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925657464 627771848 /nfs/dbraw/zinc/77/18/48/627771848.db2.gz SPSHFHPQINSOEM-VWFULERUSA-N 2 1 320.839 3.253 20 0 DGADMP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000925678073 627775440 /nfs/dbraw/zinc/77/54/40/627775440.db2.gz ZVCYFKLBVRYYFQ-MOPGFXCFSA-N 2 1 315.505 3.019 20 0 DGADMP [NH3+]CCC[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707693 627779168 /nfs/dbraw/zinc/77/91/68/627779168.db2.gz QMBMNHDSCVQLHA-QUCCMNQESA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCC[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707693 627779169 /nfs/dbraw/zinc/77/91/69/627779169.db2.gz QMBMNHDSCVQLHA-QUCCMNQESA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717297 627780399 /nfs/dbraw/zinc/78/03/99/627780399.db2.gz SHHOGOKOBYZMKI-AZUAARDMSA-N 3 1 315.505 3.178 20 0 DGADMP FC(F)n1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c2ccccc21 ZINC000925719373 627781386 /nfs/dbraw/zinc/78/13/86/627781386.db2.gz SYZAZOIFPGNEMI-WSBUHRGFSA-N 2 1 317.383 3.122 20 0 DGADMP CCSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000925731142 627783973 /nfs/dbraw/zinc/78/39/73/627783973.db2.gz JYPDMISGOBQSKP-RCCFBDPRSA-N 2 1 320.502 3.045 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@@]34CCCO4)CC[NH2+]2)cc1 ZINC000925771300 627791918 /nfs/dbraw/zinc/79/19/18/627791918.db2.gz ASZNFBLJUFCLQQ-AKHDSKFASA-N 2 1 300.446 3.171 20 0 DGADMP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777705 627793861 /nfs/dbraw/zinc/79/38/61/627793861.db2.gz GHJFOENSZUGSJF-GXFFZTMASA-N 2 1 316.392 3.197 20 0 DGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925783430 627794817 /nfs/dbraw/zinc/79/48/17/627794817.db2.gz OCLWCLLNHOOBME-HOCLYGCPSA-N 2 1 324.415 3.352 20 0 DGADMP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000925799524 627797282 /nfs/dbraw/zinc/79/72/82/627797282.db2.gz VOUMXIYGACJCRA-FUHWJXTLSA-N 2 1 316.489 3.101 20 0 DGADMP c1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)n1)CCCC2 ZINC000925807072 627798338 /nfs/dbraw/zinc/79/83/38/627798338.db2.gz SJDHCROPOKSCKH-RTBURBONSA-N 2 1 313.489 3.218 20 0 DGADMP CC1([NH+]2CCCC2)CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925819877 627799781 /nfs/dbraw/zinc/79/97/81/627799781.db2.gz AMDMHVMZKBBBFJ-ADKAHSJRSA-N 2 1 305.510 3.048 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC[NH2+]2)cc1 ZINC000925833047 627802405 /nfs/dbraw/zinc/80/24/05/627802405.db2.gz QDAKHLPPVMXPJW-FCGDIQPGSA-N 2 1 300.446 3.029 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)CC2)C1 ZINC000925845130 627804720 /nfs/dbraw/zinc/80/47/20/627804720.db2.gz XEOKYOFZYFHKRY-GSEOLPGOSA-N 3 1 319.537 3.151 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925845164 627804987 /nfs/dbraw/zinc/80/49/87/627804987.db2.gz XIKWEUGJMALMHA-VBSBHUPXSA-N 3 1 319.537 3.151 20 0 DGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925848928 627805545 /nfs/dbraw/zinc/80/55/45/627805545.db2.gz LKXYYIAMAPBZGN-SFHVURJKSA-N 2 1 303.494 3.030 20 0 DGADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(Cl)cc1 ZINC000925848209 627805972 /nfs/dbraw/zinc/80/59/72/627805972.db2.gz CIDKAGWAFHYQTH-HNNXBMFYSA-N 2 1 309.885 3.066 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000816598466 627813698 /nfs/dbraw/zinc/81/36/98/627813698.db2.gz DHRVGYKIDLYECS-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926042312 627833616 /nfs/dbraw/zinc/83/36/16/627833616.db2.gz IIXZJJBQDDPOIF-RTBURBONSA-N 2 1 317.477 3.056 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccnnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926112442 627845936 /nfs/dbraw/zinc/84/59/36/627845936.db2.gz VBYJWDXADXCIRZ-FRQCXROJSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccnnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112442 627845941 /nfs/dbraw/zinc/84/59/41/627845941.db2.gz VBYJWDXADXCIRZ-FRQCXROJSA-N 2 1 310.445 3.038 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000817274596 627875816 /nfs/dbraw/zinc/87/58/16/627875816.db2.gz OAMONGRYIWQFSA-UHFFFAOYSA-N 2 1 314.473 3.285 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000817274596 627875822 /nfs/dbraw/zinc/87/58/22/627875822.db2.gz OAMONGRYIWQFSA-UHFFFAOYSA-N 2 1 314.473 3.285 20 0 DGADMP C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354741 627883707 /nfs/dbraw/zinc/88/37/07/627883707.db2.gz VIPUEZNGNSPWMG-APWZRJJASA-N 2 1 310.445 3.039 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354741 627883717 /nfs/dbraw/zinc/88/37/17/627883717.db2.gz VIPUEZNGNSPWMG-APWZRJJASA-N 2 1 310.445 3.039 20 0 DGADMP C=Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000926460245 627898902 /nfs/dbraw/zinc/89/89/02/627898902.db2.gz WVAPCRHWKQNSBI-IHWFROFDSA-N 2 1 314.473 3.104 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)C1CC1 ZINC000926559398 627914141 /nfs/dbraw/zinc/91/41/41/627914141.db2.gz NDAVZWDWSFXGHS-VQIMIIECSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)C1CC1 ZINC000926559393 627914296 /nfs/dbraw/zinc/91/42/96/627914296.db2.gz NDAVZWDWSFXGHS-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926573740 627916420 /nfs/dbraw/zinc/91/64/20/627916420.db2.gz PAZBAGAANZLQNH-XJKSGUPXSA-N 2 1 308.853 3.233 20 0 DGADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C2CCC2)c1 ZINC000926676655 627931040 /nfs/dbraw/zinc/93/10/40/627931040.db2.gz VHUYHSJWMOREAV-JCGIZDLHSA-N 2 1 302.466 3.276 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)C1 ZINC000926692862 627934003 /nfs/dbraw/zinc/93/40/03/627934003.db2.gz ZMSBKLAQEWCOKA-LJQANCHMSA-N 2 1 314.473 3.066 20 0 DGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926708039 627937400 /nfs/dbraw/zinc/93/74/00/627937400.db2.gz XVWDOGVHGFRVQW-JENIJYKNSA-N 2 1 308.510 3.314 20 0 DGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926708039 627937402 /nfs/dbraw/zinc/93/74/02/627937402.db2.gz XVWDOGVHGFRVQW-JENIJYKNSA-N 2 1 308.510 3.314 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H](C)O)CC1 ZINC000926731754 627942558 /nfs/dbraw/zinc/94/25/58/627942558.db2.gz LUJSAGQEMRPZCS-VQIMIIECSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@H]2COCc3cccc(Cl)c32)C1 ZINC000926753166 627946424 /nfs/dbraw/zinc/94/64/24/627946424.db2.gz FQFBZIIDHJIJIC-CJNGLKHVSA-N 2 1 308.853 3.233 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000817902031 627957352 /nfs/dbraw/zinc/95/73/52/627957352.db2.gz GWBQZHAHXDMSLL-OYYNGEPBSA-N 2 1 321.424 3.367 20 0 DGADMP C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926804464 627958354 /nfs/dbraw/zinc/95/83/54/627958354.db2.gz ZKNBCONPHFAQKG-LBPRGKRZSA-N 2 1 322.403 3.270 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000926940217 627985719 /nfs/dbraw/zinc/98/57/19/627985719.db2.gz IFYMWDVTJIHWAX-DEYWJSPQSA-N 2 1 323.440 3.422 20 0 DGADMP C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(C[NH+](C)C)c1 ZINC000927109381 628016189 /nfs/dbraw/zinc/01/61/89/628016189.db2.gz XZPUZJQWODFOAH-AWEZNQCLSA-N 2 1 312.461 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000927112824 628017523 /nfs/dbraw/zinc/01/75/23/628017523.db2.gz SLGNGXCLESRQGF-FYQPLNBISA-N 2 1 314.473 3.153 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000818959597 628067512 /nfs/dbraw/zinc/06/75/12/628067512.db2.gz OMVKLZRODWCMHQ-PKOBYXMFSA-N 2 1 304.478 3.273 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818959291 628067565 /nfs/dbraw/zinc/06/75/65/628067565.db2.gz HNKGCECTQJBIHN-MAUKXSAKSA-N 2 1 308.441 3.103 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000818959596 628067606 /nfs/dbraw/zinc/06/76/06/628067606.db2.gz OMVKLZRODWCMHQ-MJGOQNOKSA-N 2 1 304.478 3.273 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000819182059 628107710 /nfs/dbraw/zinc/10/77/10/628107710.db2.gz HJRAHEAIENYGPT-QAPCUYQASA-N 2 1 324.896 3.331 20 0 DGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc2ccccc21 ZINC000819278577 628126190 /nfs/dbraw/zinc/12/61/90/628126190.db2.gz RFGCZKIHSWWFRE-NGICGMGXSA-N 2 1 324.468 3.480 20 0 DGADMP Cc1nc(C)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000820810429 628299504 /nfs/dbraw/zinc/29/95/04/628299504.db2.gz WSDFDEYHDDKYSA-VHRNVKJDSA-N 2 1 305.491 3.050 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)C2 ZINC000820836073 628302988 /nfs/dbraw/zinc/30/29/88/628302988.db2.gz JRHXSFFNJHSJCE-GGAJQTEHSA-N 2 1 316.489 3.082 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000823960671 628614071 /nfs/dbraw/zinc/61/40/71/628614071.db2.gz BPFKIGAUVFILHO-KBPBESRZSA-N 2 1 307.825 3.444 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000824332352 628652118 /nfs/dbraw/zinc/65/21/18/628652118.db2.gz IMBXRSPBZJEOGT-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(F)c(F)c3F)C2)CC1 ZINC000825762581 628795304 /nfs/dbraw/zinc/79/53/04/628795304.db2.gz OJZIDWKYXZKGKQ-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(F)c(F)c3F)C2)CC1 ZINC000825762581 628795306 /nfs/dbraw/zinc/79/53/06/628795306.db2.gz OJZIDWKYXZKGKQ-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949074 629007028 /nfs/dbraw/zinc/00/70/28/629007028.db2.gz KIDGUTJTCDBSNC-SFHVURJKSA-N 2 1 301.478 3.034 20 0 DGADMP CC(=O)c1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000829444194 629157477 /nfs/dbraw/zinc/15/74/77/629157477.db2.gz ZUPXLVXMDVJWDE-UHFFFAOYSA-N 2 1 300.446 3.197 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000834910413 629806650 /nfs/dbraw/zinc/80/66/50/629806650.db2.gz WVOPVGOFPRKFKN-UXDRXVOSSA-N 2 1 316.489 3.479 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1ccnc(Cl)c1Cl)C1CC1 ZINC000835062197 629841567 /nfs/dbraw/zinc/84/15/67/629841567.db2.gz AKLKQMIOWGSSFS-UHFFFAOYSA-N 2 1 302.249 3.352 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000840808177 630360981 /nfs/dbraw/zinc/36/09/81/630360981.db2.gz IXYZNHDOXWWYJS-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841049411 630402392 /nfs/dbraw/zinc/40/23/92/630402392.db2.gz QCXGYPSAGBBISR-GFCCVEGCSA-N 2 1 320.868 3.135 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c(Cl)nc21 ZINC000841055772 630403080 /nfs/dbraw/zinc/40/30/80/630403080.db2.gz WDTUNCBXZOWWNG-ZIAGYGMSSA-N 2 1 321.856 3.025 20 0 DGADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCCCCC[NH3+] ZINC000842471710 630539020 /nfs/dbraw/zinc/53/90/20/630539020.db2.gz UUPDGZUSSHEBKO-UHFFFAOYSA-N 2 1 305.466 3.083 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](COC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000842831083 630581964 /nfs/dbraw/zinc/58/19/64/630581964.db2.gz QSRUOZXMZYVGKD-QGZVFWFLSA-N 2 1 318.461 3.025 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000843047488 630608001 /nfs/dbraw/zinc/60/80/01/630608001.db2.gz PMMOHFWYXPZVLF-CQSZACIVSA-N 2 1 324.428 3.004 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)oc21 ZINC000843125330 630616501 /nfs/dbraw/zinc/61/65/01/630616501.db2.gz SMWPEPKJNLYTJD-HZPDHXFCSA-N 2 1 314.429 3.263 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348359 630648328 /nfs/dbraw/zinc/64/83/28/630648328.db2.gz KRZNDYWYZCLNFD-NSHDSACASA-N 2 1 320.380 3.088 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348359 630648330 /nfs/dbraw/zinc/64/83/30/630648330.db2.gz KRZNDYWYZCLNFD-NSHDSACASA-N 2 1 320.380 3.088 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+]C1)c1cccs1 ZINC000843359040 630649246 /nfs/dbraw/zinc/64/92/46/630649246.db2.gz FDSFKAQJECMPFE-ARFHVFGLSA-N 2 1 308.491 3.026 20 0 DGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@H](O)c1ccc(C)cc1 ZINC000843359433 630649466 /nfs/dbraw/zinc/64/94/66/630649466.db2.gz VBIFILUUDCGXLK-IBGZPJMESA-N 2 1 304.478 3.130 20 0 DGADMP Brc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000843358869 630649569 /nfs/dbraw/zinc/64/95/69/630649569.db2.gz YKVIPVWODVTIJA-GDBMZVCRSA-N 2 1 323.278 3.066 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000843387501 630651500 /nfs/dbraw/zinc/65/15/00/630651500.db2.gz GVMBQGDHIJWFRI-CHWSQXEVSA-N 2 1 314.260 3.210 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+](C)C3CCC([NH3+])CC3)cs2)o1 ZINC000844220529 630712757 /nfs/dbraw/zinc/71/27/57/630712757.db2.gz GYBLLYLOLWFIIL-UHFFFAOYSA-N 2 1 305.447 3.413 20 0 DGADMP FC1(F)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000844464296 630732503 /nfs/dbraw/zinc/73/25/03/630732503.db2.gz WHISSSYCYUNLMR-CALCHBBNSA-N 2 1 306.400 3.369 20 0 DGADMP [NH3+]CCCCCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000846218858 631215444 /nfs/dbraw/zinc/21/54/44/631215444.db2.gz ZBQMMXDHPYGOQI-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[N@@H+](C)C2CC2)cc1 ZINC000849039562 631815975 /nfs/dbraw/zinc/81/59/75/631815975.db2.gz GFRJTYUIAUVXTB-UHFFFAOYSA-N 2 1 318.465 3.284 20 0 DGADMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000849099758 631835039 /nfs/dbraw/zinc/83/50/39/631835039.db2.gz LHUFNTWTFWPCMW-UHFFFAOYSA-N 2 1 302.466 3.234 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000849102120 631835884 /nfs/dbraw/zinc/83/58/84/631835884.db2.gz XLAQWWRVEXVEGH-QGZVFWFLSA-N 2 1 324.472 3.129 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000849102120 631835888 /nfs/dbraw/zinc/83/58/88/631835888.db2.gz XLAQWWRVEXVEGH-QGZVFWFLSA-N 2 1 324.472 3.129 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCCCCCC3)cc2)C1 ZINC000850357893 632125008 /nfs/dbraw/zinc/12/50/08/632125008.db2.gz XMHXFXOXXKMJLR-FQEVSTJZSA-N 2 1 316.489 3.456 20 0 DGADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850363770 632126124 /nfs/dbraw/zinc/12/61/24/632126124.db2.gz GLBMEZCSPGWLCE-BLLLJJGKSA-N 2 1 301.459 3.023 20 0 DGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381057 632134238 /nfs/dbraw/zinc/13/42/38/632134238.db2.gz ALOIQVIVTFAYNL-GUTXKFCHSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381057 632134243 /nfs/dbraw/zinc/13/42/43/632134243.db2.gz ALOIQVIVTFAYNL-GUTXKFCHSA-N 2 1 320.399 3.093 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850506930 632174210 /nfs/dbraw/zinc/17/42/10/632174210.db2.gz CPTQANYMDZWDDA-QAPCUYQASA-N 2 1 304.478 3.168 20 0 DGADMP Cc1nnsc1[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929260100 660479414 /nfs/dbraw/zinc/47/94/14/660479414.db2.gz ATSNSTDQHXKZMZ-OAHLLOKOSA-N 2 1 322.522 3.496 20 0 DGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250725 660727770 /nfs/dbraw/zinc/72/77/70/660727770.db2.gz RYRSGTXVBDSQEJ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250725 660727772 /nfs/dbraw/zinc/72/77/72/660727772.db2.gz RYRSGTXVBDSQEJ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250725 660727773 /nfs/dbraw/zinc/72/77/73/660727773.db2.gz RYRSGTXVBDSQEJ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702566591 660730352 /nfs/dbraw/zinc/73/03/52/660730352.db2.gz KFORBUMKENNRTQ-IEBWSBKVSA-N 2 1 304.478 3.182 20 0 DGADMP CCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702566591 660730354 /nfs/dbraw/zinc/73/03/54/660730354.db2.gz KFORBUMKENNRTQ-IEBWSBKVSA-N 2 1 304.478 3.182 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000792927958 660994785 /nfs/dbraw/zinc/99/47/85/660994785.db2.gz VHHFCWQMCZEWRD-OALUTQOASA-N 2 1 318.505 3.471 20 0 DGADMP Cc1ccccc1[C@H](C)[N@@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000792927958 660994787 /nfs/dbraw/zinc/99/47/87/660994787.db2.gz VHHFCWQMCZEWRD-OALUTQOASA-N 2 1 318.505 3.471 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536645 661042902 /nfs/dbraw/zinc/04/29/02/661042902.db2.gz UAOZKDZMKJLQQF-IAGOWNOFSA-N 2 1 314.477 3.290 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536645 661042903 /nfs/dbraw/zinc/04/29/03/661042903.db2.gz UAOZKDZMKJLQQF-IAGOWNOFSA-N 2 1 314.477 3.290 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795900297 661178112 /nfs/dbraw/zinc/17/81/12/661178112.db2.gz VOICYZNIAXYMSA-KRWDZBQOSA-N 2 1 324.509 3.021 20 0 DGADMP c1cc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cs1 ZINC000261929070 655702699 /nfs/dbraw/zinc/70/26/99/655702699.db2.gz CNMBHVVWBQYPNP-UHFFFAOYSA-N 2 1 319.499 3.447 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309702505 655876474 /nfs/dbraw/zinc/87/64/74/655876474.db2.gz GSQFEWJAKWIRMY-APWZRJJASA-N 2 1 304.478 3.302 20 0 DGADMP COC(C)(C)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309764275 655882863 /nfs/dbraw/zinc/88/28/63/655882863.db2.gz FNRMXRIOHQSAHC-AEFFLSMTSA-N 2 1 304.478 3.302 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C12CCC2 ZINC000453194861 655910583 /nfs/dbraw/zinc/91/05/83/655910583.db2.gz IMSNCNSHJBDZOJ-CIRFHOKZSA-N 2 1 306.494 3.187 20 0 DGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000122336518 656041641 /nfs/dbraw/zinc/04/16/41/656041641.db2.gz ADVOSNLNHIGTAQ-BDXSIMOUSA-N 2 1 308.510 3.028 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764392 656763501 /nfs/dbraw/zinc/76/35/01/656763501.db2.gz NWRULBOOUNZMAE-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC(C)C ZINC000261690809 656974709 /nfs/dbraw/zinc/97/47/09/656974709.db2.gz AXRVEJCMARMSMI-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000261856205 657141868 /nfs/dbraw/zinc/14/18/68/657141868.db2.gz JYMWLPNPWASYRI-JCURWCKSSA-N 2 1 312.413 3.499 20 0 DGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000261999363 657279055 /nfs/dbraw/zinc/27/90/55/657279055.db2.gz PCQIGHZKRBNCHC-LBPRGKRZSA-N 2 1 320.462 3.181 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(OC(F)F)cc1C ZINC000262045977 657298300 /nfs/dbraw/zinc/29/83/00/657298300.db2.gz PSLIMSBDEGIWEG-UHFFFAOYSA-N 2 1 324.415 3.480 20 0 DGADMP CCOc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000067452598 657391145 /nfs/dbraw/zinc/39/11/45/657391145.db2.gz ASIPXDAVAICOAC-CALCHBBNSA-N 2 1 320.477 3.064 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000252879779 657638669 /nfs/dbraw/zinc/63/86/69/657638669.db2.gz YBMWVEFFBBGBJP-NOLJZWGESA-N 2 1 323.278 3.317 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000322403403 658514582 /nfs/dbraw/zinc/51/45/82/658514582.db2.gz VWOLACUIPISCPS-KRWDZBQOSA-N 2 1 312.461 3.399 20 0 DGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000721201784 658675279 /nfs/dbraw/zinc/67/52/79/658675279.db2.gz LKRFSDZXCZVLFA-XUVXKRRUSA-N 2 1 316.489 3.446 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC000228474450 659192497 /nfs/dbraw/zinc/19/24/97/659192497.db2.gz ASHHIGFUGGQNOX-NWANDNLSSA-N 2 1 309.251 3.008 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@H]21 ZINC000228474450 659192501 /nfs/dbraw/zinc/19/25/01/659192501.db2.gz ASHHIGFUGGQNOX-NWANDNLSSA-N 2 1 309.251 3.008 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cn1 ZINC000237650713 659934386 /nfs/dbraw/zinc/93/43/86/659934386.db2.gz BJCNGCMJLAWCQO-UHFFFAOYSA-N 2 1 317.396 3.347 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929762339 661335722 /nfs/dbraw/zinc/33/57/22/661335722.db2.gz FHHPAIONRADTAL-ROUUACIJSA-N 2 1 306.494 3.142 20 0 DGADMP C[C@@H](c1ncccn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930080374 661364418 /nfs/dbraw/zinc/36/44/18/661364418.db2.gz UWWJGLHESFGEMA-INIZCTEOSA-N 2 1 302.466 3.126 20 0 DGADMP CC[N@@H+](CCC1CCN(Cc2nncs2)CC1)CC(C)C ZINC000930179713 661374410 /nfs/dbraw/zinc/37/44/10/661374410.db2.gz OGHHFEJNKPDUKZ-UHFFFAOYSA-N 2 1 310.511 3.118 20 0 DGADMP Cc1[nH]c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000930456645 661400333 /nfs/dbraw/zinc/40/03/33/661400333.db2.gz IFDFECOBMTUMBW-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1[nH]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000930456645 661400336 /nfs/dbraw/zinc/40/03/36/661400336.db2.gz IFDFECOBMTUMBW-FQEVSTJZSA-N 2 1 324.472 3.125 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCCF)cc2)C[C@H](C)O1 ZINC000930859185 661435402 /nfs/dbraw/zinc/43/54/02/661435402.db2.gz CASISLMORKIIID-IYBDPMFKSA-N 2 1 308.441 3.087 20 0 DGADMP C[N@H+]1C[C@@]2(C)CN(CCSc3ccccc3F)C[C@@]2(C)C1 ZINC000931310554 661465848 /nfs/dbraw/zinc/46/58/48/661465848.db2.gz ZVKIMWPLRBUTKC-CALCHBBNSA-N 2 1 308.466 3.191 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000931435480 661476424 /nfs/dbraw/zinc/47/64/24/661476424.db2.gz BIHOHXQCMXQGFH-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000931435480 661476425 /nfs/dbraw/zinc/47/64/25/661476425.db2.gz BIHOHXQCMXQGFH-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000931435480 661476427 /nfs/dbraw/zinc/47/64/27/661476427.db2.gz BIHOHXQCMXQGFH-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000931435480 661476429 /nfs/dbraw/zinc/47/64/29/661476429.db2.gz BIHOHXQCMXQGFH-CVEARBPZSA-N 2 1 313.470 3.194 20 0 DGADMP COC/C(C)=C/C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746869 661504685 /nfs/dbraw/zinc/50/46/85/661504685.db2.gz JVWBFIUOJGRGGQ-XWAAZTCRSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746869 661504687 /nfs/dbraw/zinc/50/46/87/661504687.db2.gz JVWBFIUOJGRGGQ-XWAAZTCRSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746869 661504690 /nfs/dbraw/zinc/50/46/90/661504690.db2.gz JVWBFIUOJGRGGQ-XWAAZTCRSA-N 2 1 314.473 3.033 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCOC3CCSCC3)CC2)[nH+]c1C ZINC000931749855 661505502 /nfs/dbraw/zinc/50/55/02/661505502.db2.gz WBBZKGDUFOPJBG-UHFFFAOYSA-N 2 1 323.506 3.118 20 0 DGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(F)ccc1OC ZINC000932467710 661572221 /nfs/dbraw/zinc/57/22/21/661572221.db2.gz DCWOVVJVBIZHPL-MRXNPFEDSA-N 2 1 305.397 3.241 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000932687505 661591430 /nfs/dbraw/zinc/59/14/30/661591430.db2.gz RWUOVAYPPOUMMB-SFHVURJKSA-N 2 1 321.465 3.025 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000932687505 661591431 /nfs/dbraw/zinc/59/14/31/661591431.db2.gz RWUOVAYPPOUMMB-SFHVURJKSA-N 2 1 321.465 3.025 20 0 DGADMP CO[C@H](C)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548995 661640388 /nfs/dbraw/zinc/64/03/88/661640388.db2.gz XWQMLJDAZQKLNZ-QGZVFWFLSA-N 2 1 302.462 3.108 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000935802534 661811949 /nfs/dbraw/zinc/81/19/49/661811949.db2.gz MRRQRVLLYDOONE-INIZCTEOSA-N 2 1 323.868 3.213 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000935802534 661811951 /nfs/dbraw/zinc/81/19/51/661811951.db2.gz MRRQRVLLYDOONE-INIZCTEOSA-N 2 1 323.868 3.213 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000191814838 662081295 /nfs/dbraw/zinc/08/12/95/662081295.db2.gz JEKLLXMSWZMCNC-OALUTQOASA-N 2 1 322.468 3.446 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000247122941 662301899 /nfs/dbraw/zinc/30/18/99/662301899.db2.gz PTCFEPKWZQPLLJ-HBFSDRIKSA-N 2 1 315.505 3.284 20 0 DGADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(C)C ZINC000378897611 685146424 /nfs/dbraw/zinc/14/64/24/685146424.db2.gz VKUHOTLPXOXBNL-DLBZAZTESA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(C)C ZINC000378897611 685146428 /nfs/dbraw/zinc/14/64/28/685146428.db2.gz VKUHOTLPXOXBNL-DLBZAZTESA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(C)C ZINC000378897611 685146429 /nfs/dbraw/zinc/14/64/29/685146429.db2.gz VKUHOTLPXOXBNL-DLBZAZTESA-N 2 1 318.461 3.199 20 0 DGADMP COC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379633374 685149165 /nfs/dbraw/zinc/14/91/65/685149165.db2.gz UERWLFSLGXZEKG-AEFFLSMTSA-N 2 1 304.478 3.444 20 0 DGADMP COC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379633374 685149167 /nfs/dbraw/zinc/14/91/67/685149167.db2.gz UERWLFSLGXZEKG-AEFFLSMTSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000380950005 685153587 /nfs/dbraw/zinc/15/35/87/685153587.db2.gz QOVJFJRNYDKBPQ-NXHRZFHOSA-N 2 1 304.503 3.382 20 0 DGADMP CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000380964050 685154565 /nfs/dbraw/zinc/15/45/65/685154565.db2.gz XVEPJTMCELOVPT-AABGKKOBSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1CC[N@@H+](CCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000382656739 685164737 /nfs/dbraw/zinc/16/47/37/685164737.db2.gz AVPUTDBBSPBENV-SFHVURJKSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@H]1CCN(CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382656739 685164742 /nfs/dbraw/zinc/16/47/42/685164742.db2.gz AVPUTDBBSPBENV-SFHVURJKSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@H]1CCN(CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000382656739 685164744 /nfs/dbraw/zinc/16/47/44/685164744.db2.gz AVPUTDBBSPBENV-SFHVURJKSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384673900 685171963 /nfs/dbraw/zinc/17/19/63/685171963.db2.gz YNWWVRVGYSVLFL-KCITZHQASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1C[C@@H](C[NH2+]CC(F)(F)c2ccc(F)cc2F)CC[NH2+]1 ZINC001576598063 1191852560 /nfs/dbraw/zinc/85/25/60/1191852560.db2.gz KDKANEDWWCXWOJ-QWRGUYRKSA-N 2 1 304.331 3.034 20 0 DGADMP C[C@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801273 1191869998 /nfs/dbraw/zinc/86/99/98/1191869998.db2.gz QEXZEVQEDKRHDN-LOTPSLMQSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801273 1191870000 /nfs/dbraw/zinc/87/00/00/1191870000.db2.gz QEXZEVQEDKRHDN-LOTPSLMQSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001576809258 1191870627 /nfs/dbraw/zinc/87/06/27/1191870627.db2.gz RHDUISFCBQDEES-QWRGUYRKSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001576809258 1191870629 /nfs/dbraw/zinc/87/06/29/1191870629.db2.gz RHDUISFCBQDEES-QWRGUYRKSA-N 2 1 320.330 3.141 20 0 DGADMP CC[C@@](C)(O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001576959024 1191877483 /nfs/dbraw/zinc/87/74/83/1191877483.db2.gz BAKJYIFOVUJUMT-IEBWSBKVSA-N 2 1 304.478 3.039 20 0 DGADMP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001576961033 1191877199 /nfs/dbraw/zinc/87/71/99/1191877199.db2.gz QJPRJMIJEFUJTR-FQEVSTJZSA-N 2 1 312.457 3.309 20 0 DGADMP CCC(CC)(C[NH3+])C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC001577051512 1191881568 /nfs/dbraw/zinc/88/15/68/1191881568.db2.gz RXXJFOXQDCHEOR-GOSISDBHSA-N 2 1 304.478 3.433 20 0 DGADMP CC[C@@H]1C[N@@H+](C/C(C)=C/c2ccccc2COC)CC[C@@H]1[NH3+] ZINC001577279735 1191891722 /nfs/dbraw/zinc/89/17/22/1191891722.db2.gz PAKOZUXWNQVHDY-RZQYTQJMSA-N 2 1 302.462 3.296 20 0 DGADMP CCC[N@@H+](Cc1ccc(OCOCC)cc1)C1CC[NH2+]CC1 ZINC001577526668 1191906681 /nfs/dbraw/zinc/90/66/81/1191906681.db2.gz BDYWXSATVPJUEC-UHFFFAOYSA-N 2 1 306.450 3.023 20 0 DGADMP CC[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC001577846039 1191917010 /nfs/dbraw/zinc/91/70/10/1191917010.db2.gz PWCUUDZISSKYCJ-UHFFFAOYSA-N 2 1 314.477 3.259 20 0 DGADMP CCOc1ccc(C[C@@H](C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001578174433 1191928920 /nfs/dbraw/zinc/92/89/20/1191928920.db2.gz UKSZOYYBNMNQIW-OCCSQVGLSA-N 2 1 318.383 3.133 20 0 DGADMP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)s1)C1CCC([NH3+])CC1 ZINC001578489383 1191946866 /nfs/dbraw/zinc/94/68/66/1191946866.db2.gz KIUDVUMVAKMIMG-UHFFFAOYSA-N 2 1 324.490 3.405 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC001578741588 1191953782 /nfs/dbraw/zinc/95/37/82/1191953782.db2.gz RCTLDDMEPPKAEO-UHFFFAOYSA-N 2 1 306.413 3.086 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(OC(F)F)cc1C ZINC001620786100 1191957266 /nfs/dbraw/zinc/95/72/66/1191957266.db2.gz XTTUAOMXBUXFFF-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(OC(F)F)cc1C ZINC001620786100 1191957268 /nfs/dbraw/zinc/95/72/68/1191957268.db2.gz XTTUAOMXBUXFFF-CQSZACIVSA-N 2 1 312.404 3.336 20 0 DGADMP COCC[C@H]([NH3+])C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC001578999963 1191964143 /nfs/dbraw/zinc/96/41/43/1191964143.db2.gz LBFXSWAWAOZCCW-INDMIFKZSA-N 2 1 302.462 3.008 20 0 DGADMP COCC1(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCC1 ZINC001578981333 1191964189 /nfs/dbraw/zinc/96/41/89/1191964189.db2.gz DDWGAQKCKIRHBK-SJLPKXTDSA-N 2 1 308.510 3.423 20 0 DGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC001579194931 1191968900 /nfs/dbraw/zinc/96/89/00/1191968900.db2.gz XZZINEXKFPHRFD-HNNXBMFYSA-N 2 1 320.477 3.042 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c2ccccc21 ZINC001579324618 1191973791 /nfs/dbraw/zinc/97/37/91/1191973791.db2.gz UPZZWMSNCOZREP-KBXCAEBGSA-N 2 1 313.445 3.193 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c2ccccc21 ZINC001579324621 1191973936 /nfs/dbraw/zinc/97/39/36/1191973936.db2.gz UPZZWMSNCOZREP-RDTXWAMCSA-N 2 1 313.445 3.193 20 0 DGADMP Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC001579576012 1191980237 /nfs/dbraw/zinc/98/02/37/1191980237.db2.gz BWDSSIMDIHSWGU-INIZCTEOSA-N 2 1 319.493 3.294 20 0 DGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC001579579336 1191980302 /nfs/dbraw/zinc/98/03/02/1191980302.db2.gz FJHTYJCUUFRDTR-HOTGVXAUSA-N 2 1 314.395 3.305 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCOC3(CCC([NH3+])CC3)C2)c(C)c1 ZINC001579576501 1191980567 /nfs/dbraw/zinc/98/05/67/1191980567.db2.gz VFTKFRDBFMFDMN-UHFFFAOYSA-N 2 1 302.462 3.084 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCc2ccccn2)C1)C1CCCC1 ZINC001580126140 1192008607 /nfs/dbraw/zinc/00/86/07/1192008607.db2.gz GBJGNZBATYBBJZ-VQIMIIECSA-N 2 1 301.478 3.244 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CC(F)(F)F ZINC001580131744 1192009430 /nfs/dbraw/zinc/00/94/30/1192009430.db2.gz GZLUMYIAKSIAAM-SOUVJXGZSA-N 2 1 300.368 3.267 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001580152339 1192010488 /nfs/dbraw/zinc/01/04/88/1192010488.db2.gz HEZNWMZVQUUMPH-UHFFFAOYSA-N 2 1 318.367 3.125 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CCC1 ZINC001580152854 1192010559 /nfs/dbraw/zinc/01/05/59/1192010559.db2.gz URNFELCFOBXQTF-UHFFFAOYSA-N 2 1 312.442 3.034 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)C12CCC2 ZINC001580164815 1192011495 /nfs/dbraw/zinc/01/14/95/1192011495.db2.gz SAPNLMWGEVDCNE-RBUKOAKNSA-N 2 1 323.440 3.020 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC001580215260 1192013901 /nfs/dbraw/zinc/01/39/01/1192013901.db2.gz GOQYECGZIMABBH-SLFFLAALSA-N 2 1 316.489 3.228 20 0 DGADMP [NH3+]CC1(C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC001580244427 1192015409 /nfs/dbraw/zinc/01/54/09/1192015409.db2.gz WWUNBPUUDLAAAV-NSHDSACASA-N 2 1 301.217 3.146 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CCCO1 ZINC001580274278 1192018529 /nfs/dbraw/zinc/01/85/29/1192018529.db2.gz JEZKSUCUEBVTDW-AWEZNQCLSA-N 2 1 304.821 3.043 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CCCO1 ZINC001580274278 1192018532 /nfs/dbraw/zinc/01/85/32/1192018532.db2.gz JEZKSUCUEBVTDW-AWEZNQCLSA-N 2 1 304.821 3.043 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001580288525 1192019551 /nfs/dbraw/zinc/01/95/51/1192019551.db2.gz NREGYMAKWKZRMP-GFCCVEGCSA-N 2 1 305.809 3.166 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001580287128 1192019558 /nfs/dbraw/zinc/01/95/58/1192019558.db2.gz QSJQNXHRGYATGV-HNNXBMFYSA-N 2 1 303.381 3.184 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001580287128 1192019560 /nfs/dbraw/zinc/01/95/60/1192019560.db2.gz QSJQNXHRGYATGV-HNNXBMFYSA-N 2 1 303.381 3.184 20 0 DGADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC001580895255 1192044739 /nfs/dbraw/zinc/04/47/39/1192044739.db2.gz IFAOJWOBEBOKRJ-FUHWJXTLSA-N 2 1 309.413 3.058 20 0 DGADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC001580895255 1192044741 /nfs/dbraw/zinc/04/47/41/1192044741.db2.gz IFAOJWOBEBOKRJ-FUHWJXTLSA-N 2 1 309.413 3.058 20 0 DGADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC001580895358 1192045187 /nfs/dbraw/zinc/04/51/87/1192045187.db2.gz IFAOJWOBEBOKRJ-WMZOPIPTSA-N 2 1 309.413 3.058 20 0 DGADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC001580895358 1192045189 /nfs/dbraw/zinc/04/51/89/1192045189.db2.gz IFAOJWOBEBOKRJ-WMZOPIPTSA-N 2 1 309.413 3.058 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)s1 ZINC001661403047 1196601500 /nfs/dbraw/zinc/60/15/00/1196601500.db2.gz WELVLAPJAMMPCQ-KRWDZBQOSA-N 2 1 308.491 3.098 20 0 DGADMP COC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001620898181 1192564653 /nfs/dbraw/zinc/56/46/53/1192564653.db2.gz KPXMTWIUMBXWNJ-INIZCTEOSA-N 2 1 318.461 3.136 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000378899215 1176750811 /nfs/dbraw/zinc/75/08/11/1176750811.db2.gz BMKGYTDEEBDQIA-LBPRGKRZSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000378899215 1176750817 /nfs/dbraw/zinc/75/08/17/1176750817.db2.gz BMKGYTDEEBDQIA-LBPRGKRZSA-N 2 1 314.351 3.159 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000394803288 1176761434 /nfs/dbraw/zinc/76/14/34/1176761434.db2.gz NDTTYIJDMMODTA-LLVKDONJSA-N 2 1 315.230 3.149 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000388855728 1176964370 /nfs/dbraw/zinc/96/43/70/1176964370.db2.gz GOQBUYIUCOCNPQ-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000228282933 1177165483 /nfs/dbraw/zinc/16/54/83/1177165483.db2.gz OYXNPRTUDDDRDN-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC000228282933 1177165487 /nfs/dbraw/zinc/16/54/87/1177165487.db2.gz OYXNPRTUDDDRDN-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CCC[C@@H](C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000386493956 1177407158 /nfs/dbraw/zinc/40/71/58/1177407158.db2.gz UUHODVDYEGXAGN-OALUTQOASA-N 2 1 304.478 3.303 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001331228380 1178160320 /nfs/dbraw/zinc/16/03/20/1178160320.db2.gz AVGDEBHFOGVESJ-LMDPOFIKSA-N 3 1 307.526 3.105 20 0 DGADMP CCN1CCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001331228380 1178160322 /nfs/dbraw/zinc/16/03/22/1178160322.db2.gz AVGDEBHFOGVESJ-LMDPOFIKSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331506068 1178230199 /nfs/dbraw/zinc/23/01/99/1178230199.db2.gz WYEWAQZJYDAWEI-XYPHTWIQSA-N 2 1 308.441 3.100 20 0 DGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389423 1178434704 /nfs/dbraw/zinc/43/47/04/1178434704.db2.gz BBEFBNAQMXTYFG-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389423 1178434709 /nfs/dbraw/zinc/43/47/09/1178434709.db2.gz BBEFBNAQMXTYFG-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC001332389423 1178434714 /nfs/dbraw/zinc/43/47/14/1178434714.db2.gz BBEFBNAQMXTYFG-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)nc2)[C@H](C)C1 ZINC001332923184 1178522545 /nfs/dbraw/zinc/52/25/45/1178522545.db2.gz ZQAKAJMBKHKLSW-VYDXJSESSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)nc2)[C@H](C)C1 ZINC001332923184 1178522549 /nfs/dbraw/zinc/52/25/49/1178522549.db2.gz ZQAKAJMBKHKLSW-VYDXJSESSA-N 2 1 323.456 3.008 20 0 DGADMP CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001333151951 1178564502 /nfs/dbraw/zinc/56/45/02/1178564502.db2.gz BTOMPZOGOUOAOO-DAWZGUTISA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001333274374 1178579876 /nfs/dbraw/zinc/57/98/76/1178579876.db2.gz AOEDMJIFNFTILP-OAHLLOKOSA-N 2 1 311.857 3.104 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001333312085 1178586595 /nfs/dbraw/zinc/58/65/95/1178586595.db2.gz JOSQTWRLCGNXEP-XKGZKEIXSA-N 2 1 316.489 3.271 20 0 DGADMP Cc1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC001333322444 1178588511 /nfs/dbraw/zinc/58/85/11/1178588511.db2.gz XKSSVGODUYYZPY-GOSISDBHSA-N 2 1 324.472 3.110 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC001333322444 1178588523 /nfs/dbraw/zinc/58/85/23/1178588523.db2.gz XKSSVGODUYYZPY-GOSISDBHSA-N 2 1 324.472 3.110 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC001333322444 1178588527 /nfs/dbraw/zinc/58/85/27/1178588527.db2.gz XKSSVGODUYYZPY-GOSISDBHSA-N 2 1 324.472 3.110 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC001333686044 1178653888 /nfs/dbraw/zinc/65/38/88/1178653888.db2.gz VSAKZLKJRQPZAD-TZMCWYRMSA-N 2 1 316.367 3.200 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)CC1 ZINC001333813591 1178678858 /nfs/dbraw/zinc/67/88/58/1178678858.db2.gz JHDOGGWUYIAPMP-INIZCTEOSA-N 2 1 318.465 3.206 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4cc(F)ccc4o3)C[C@H]2C1 ZINC001333840503 1178683071 /nfs/dbraw/zinc/68/30/71/1178683071.db2.gz GKIPUMPLVAESKO-UMVBOHGHSA-N 2 1 317.408 3.129 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@@H]2C1 ZINC001333890823 1178691816 /nfs/dbraw/zinc/69/18/16/1178691816.db2.gz GJXHSEXOAMCPNM-JENIJYKNSA-N 2 1 324.472 3.034 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001334107624 1178721709 /nfs/dbraw/zinc/72/17/09/1178721709.db2.gz FUAVQGOOGQBUPO-SFHVURJKSA-N 2 1 315.461 3.094 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2C1 ZINC001334355256 1178753763 /nfs/dbraw/zinc/75/37/63/1178753763.db2.gz BAXSUFJGYOQNOX-IPMKNSEASA-N 2 1 309.457 3.397 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC001334826612 1178807735 /nfs/dbraw/zinc/80/77/35/1178807735.db2.gz GANGKHXYGPWOHX-HXUWFJFHSA-N 2 1 324.472 3.053 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@@H]2C1 ZINC001335134568 1178857793 /nfs/dbraw/zinc/85/77/93/1178857793.db2.gz TVABLSKBNOBCBR-IJEWVQPXSA-N 2 1 305.491 3.183 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@H]2C1 ZINC001335133563 1178859296 /nfs/dbraw/zinc/85/92/96/1178859296.db2.gz JCRPEGQQAHXWIS-OUCADQQQSA-N 2 1 312.379 3.266 20 0 DGADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC001335271063 1178883003 /nfs/dbraw/zinc/88/30/03/1178883003.db2.gz QPGLXFUMEXCUHK-JKSUJKDBSA-N 2 1 312.461 3.132 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001335346580 1178898255 /nfs/dbraw/zinc/89/82/55/1178898255.db2.gz XZWWTCABCQIFAV-TZIWHRDSSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001335346580 1178898271 /nfs/dbraw/zinc/89/82/71/1178898271.db2.gz XZWWTCABCQIFAV-TZIWHRDSSA-N 2 1 324.468 3.065 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836595 1178961999 /nfs/dbraw/zinc/96/19/99/1178961999.db2.gz COPANXZVVJGGCB-XJKSGUPXSA-N 2 1 318.465 3.067 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC001335836595 1178962002 /nfs/dbraw/zinc/96/20/02/1178962002.db2.gz COPANXZVVJGGCB-XJKSGUPXSA-N 2 1 318.465 3.067 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343335947 1179257613 /nfs/dbraw/zinc/25/76/13/1179257613.db2.gz ZBHQSHOVSMJOHD-LZLYRXPVSA-N 2 1 302.462 3.166 20 0 DGADMP C[C@@H]1CCc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001345079307 1179523325 /nfs/dbraw/zinc/52/33/25/1179523325.db2.gz VTXBDVHABBYVBZ-QRQLOZEOSA-N 2 1 313.489 3.044 20 0 DGADMP CN(C)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC001345123200 1179529855 /nfs/dbraw/zinc/52/98/55/1179529855.db2.gz PIKGLWAQUYHXPF-XGSMCBPESA-N 2 1 313.489 3.043 20 0 DGADMP CC(C)(c1nc([C@@H]([NH3+])c2ccccc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC001349297649 1179889611 /nfs/dbraw/zinc/88/96/11/1179889611.db2.gz AHBFVLBDOCKXTI-HOTGVXAUSA-N 2 1 322.412 3.095 20 0 DGADMP Cc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001349923255 1179978904 /nfs/dbraw/zinc/97/89/04/1179978904.db2.gz OTLQZSUYSFHBTJ-GOSISDBHSA-N 2 1 322.456 3.453 20 0 DGADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316065 1193002614 /nfs/dbraw/zinc/00/26/14/1193002614.db2.gz WZUHLEGBCZLUEG-OXJNMPFZSA-N 2 1 313.489 3.185 20 0 DGADMP C[C@H]1CCc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001351313773 1180198419 /nfs/dbraw/zinc/19/84/19/1180198419.db2.gz DEKFLMZCABEBGS-WMZOPIPTSA-N 2 1 315.505 3.290 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[NH+](C)C1 ZINC001200356976 1180572004 /nfs/dbraw/zinc/57/20/04/1180572004.db2.gz ZCQWHMQSHMMHKT-IBGZPJMESA-N 2 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[N@H+](C)C1 ZINC001200356976 1180572009 /nfs/dbraw/zinc/57/20/09/1180572009.db2.gz ZCQWHMQSHMMHKT-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC001200356976 1180572018 /nfs/dbraw/zinc/57/20/18/1180572018.db2.gz ZCQWHMQSHMMHKT-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[NH+](C)C1 ZINC001200356976 1180572023 /nfs/dbraw/zinc/57/20/23/1180572023.db2.gz ZCQWHMQSHMMHKT-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[NH+](C)C1 ZINC001200356976 1180572026 /nfs/dbraw/zinc/57/20/26/1180572026.db2.gz ZCQWHMQSHMMHKT-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001200356976 1180572029 /nfs/dbraw/zinc/57/20/29/1180572029.db2.gz ZCQWHMQSHMMHKT-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001200356976 1180572033 /nfs/dbraw/zinc/57/20/33/1180572033.db2.gz ZCQWHMQSHMMHKT-IBGZPJMESA-N 3 1 317.521 3.076 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001365616519 1181684977 /nfs/dbraw/zinc/68/49/77/1181684977.db2.gz SEZFDFWLPOTSTC-KDOFPFPSSA-N 2 1 317.477 3.228 20 0 DGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH+](C)C(C)C ZINC001459347934 1182581498 /nfs/dbraw/zinc/58/14/98/1182581498.db2.gz GMDGOQOKEOHAFY-FQEVSTJZSA-N 2 1 314.473 3.363 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH+](C)C(C)C ZINC001459347934 1182581502 /nfs/dbraw/zinc/58/15/02/1182581502.db2.gz GMDGOQOKEOHAFY-FQEVSTJZSA-N 2 1 314.473 3.363 20 0 DGADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@@H](O)C[N@H+](C)C(C)C ZINC001459347934 1182581506 /nfs/dbraw/zinc/58/15/06/1182581506.db2.gz GMDGOQOKEOHAFY-FQEVSTJZSA-N 2 1 314.473 3.363 20 0 DGADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001459347934 1182581510 /nfs/dbraw/zinc/58/15/10/1182581510.db2.gz GMDGOQOKEOHAFY-FQEVSTJZSA-N 2 1 314.473 3.363 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCN2CCc3ccccc32)cc1 ZINC001459874039 1182625436 /nfs/dbraw/zinc/62/54/36/1182625436.db2.gz OOCLNOSGNWZEAU-UHFFFAOYSA-N 2 1 323.484 3.243 20 0 DGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459902993 1182627972 /nfs/dbraw/zinc/62/79/72/1182627972.db2.gz JMDNTRFRAJBDQE-AQNXPRMDSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459902993 1182627976 /nfs/dbraw/zinc/62/79/76/1182627976.db2.gz JMDNTRFRAJBDQE-AQNXPRMDSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]1CC(CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)C[C@H](C)C1 ZINC001460292140 1182672630 /nfs/dbraw/zinc/67/26/30/1182672630.db2.gz MRKLKRBMBJKANY-IAGOWNOFSA-N 2 1 308.510 3.245 20 0 DGADMP CC[C@H](CO)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001460661538 1182704390 /nfs/dbraw/zinc/70/43/90/1182704390.db2.gz YNUXZTYPKQVZEO-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CN(CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1)c1ccccc1 ZINC001460748025 1182716206 /nfs/dbraw/zinc/71/62/06/1182716206.db2.gz MMQVJVCNRXIGQV-UHFFFAOYSA-N 2 1 315.505 3.463 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]CCC[NH+]1CCCC1 ZINC001461003758 1182754256 /nfs/dbraw/zinc/75/42/56/1182754256.db2.gz BZUWGCYYZQPEEQ-UHFFFAOYSA-N 2 1 322.522 3.017 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC001461004555 1182755268 /nfs/dbraw/zinc/75/52/68/1182755268.db2.gz FYICZSXIRWXCLM-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP CCOc1c(Cl)cc(C[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC001461117932 1182771113 /nfs/dbraw/zinc/77/11/13/1182771113.db2.gz BIIHFYNGDHRYBR-UHFFFAOYSA-N 2 1 323.824 3.042 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cscc3C(F)(F)F)[C@H]2C1 ZINC001461829619 1182865195 /nfs/dbraw/zinc/86/51/95/1182865195.db2.gz MPKFFLMYTXAUGJ-GAFUQQFSSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cscc3C(F)(F)F)[C@H]2C1 ZINC001461829619 1182865202 /nfs/dbraw/zinc/86/52/02/1182865202.db2.gz MPKFFLMYTXAUGJ-GAFUQQFSSA-N 2 1 304.381 3.197 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1C ZINC001461833036 1182865524 /nfs/dbraw/zinc/86/55/24/1182865524.db2.gz CQOOBMWPIZRMMU-AWEZNQCLSA-N 2 1 308.466 3.222 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001462199173 1182922816 /nfs/dbraw/zinc/92/28/16/1182922816.db2.gz IDDBBLSFVTVLGF-KRWDZBQOSA-N 2 1 301.478 3.200 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001462301097 1182935338 /nfs/dbraw/zinc/93/53/38/1182935338.db2.gz SEFDXZFVPRXIDU-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001462301097 1182935343 /nfs/dbraw/zinc/93/53/43/1182935343.db2.gz SEFDXZFVPRXIDU-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001462301097 1182935345 /nfs/dbraw/zinc/93/53/45/1182935345.db2.gz SEFDXZFVPRXIDU-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001462301097 1182935349 /nfs/dbraw/zinc/93/53/49/1182935349.db2.gz SEFDXZFVPRXIDU-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(c4ccc(F)cc4F)C3)[C@@H]2C1 ZINC001462671643 1182983958 /nfs/dbraw/zinc/98/39/58/1182983958.db2.gz RZXJFSUQEYJTQN-ZMLOEJNFSA-N 2 1 306.400 3.141 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261740 1183738062 /nfs/dbraw/zinc/73/80/62/1183738062.db2.gz MYJDYINRQXJIHP-LJQANCHMSA-N 2 1 322.468 3.271 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261740 1183738065 /nfs/dbraw/zinc/73/80/65/1183738065.db2.gz MYJDYINRQXJIHP-LJQANCHMSA-N 2 1 322.468 3.271 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261740 1183738067 /nfs/dbraw/zinc/73/80/67/1183738067.db2.gz MYJDYINRQXJIHP-LJQANCHMSA-N 2 1 322.468 3.271 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC001473261740 1183738070 /nfs/dbraw/zinc/73/80/70/1183738070.db2.gz MYJDYINRQXJIHP-LJQANCHMSA-N 2 1 322.468 3.271 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473300160 1183740757 /nfs/dbraw/zinc/74/07/57/1183740757.db2.gz XPFIZIIMHGUECY-PMACEKPBSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473300160 1183740767 /nfs/dbraw/zinc/74/07/67/1183740767.db2.gz XPFIZIIMHGUECY-PMACEKPBSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473300160 1183740779 /nfs/dbraw/zinc/74/07/79/1183740779.db2.gz XPFIZIIMHGUECY-PMACEKPBSA-N 2 1 318.505 3.176 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001473757210 1183797954 /nfs/dbraw/zinc/79/79/54/1183797954.db2.gz YRGZRQGNKBGNMW-PMACEKPBSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001473757210 1183797956 /nfs/dbraw/zinc/79/79/56/1183797956.db2.gz YRGZRQGNKBGNMW-PMACEKPBSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001473757210 1183797959 /nfs/dbraw/zinc/79/79/59/1183797959.db2.gz YRGZRQGNKBGNMW-PMACEKPBSA-N 2 1 318.505 3.176 20 0 DGADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)s1 ZINC001473759565 1183798546 /nfs/dbraw/zinc/79/85/46/1183798546.db2.gz JPCDDCJFEYKMNI-ZDUSSCGKSA-N 2 1 301.459 3.471 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001473884709 1183819246 /nfs/dbraw/zinc/81/92/46/1183819246.db2.gz AALZSMNSJFJZRB-APWZRJJASA-N 2 1 304.478 3.093 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001473912856 1183825604 /nfs/dbraw/zinc/82/56/04/1183825604.db2.gz XKJNQSZGOYJJDJ-UHFFFAOYSA-N 2 1 324.538 3.263 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C2 ZINC001473928137 1183830410 /nfs/dbraw/zinc/83/04/10/1183830410.db2.gz DWKDSWLHZAXBKO-QGZVFWFLSA-N 2 1 304.478 3.263 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC001474301364 1183899946 /nfs/dbraw/zinc/89/99/46/1183899946.db2.gz KBYNRGOUKWULQH-AEGPPILISA-N 2 1 314.351 3.015 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001474302512 1183901264 /nfs/dbraw/zinc/90/12/64/1183901264.db2.gz YTBOHUUKMGSZPH-RCCFBDPRSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001474302512 1183901267 /nfs/dbraw/zinc/90/12/67/1183901267.db2.gz YTBOHUUKMGSZPH-RCCFBDPRSA-N 2 1 302.462 3.295 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC001474348007 1183907321 /nfs/dbraw/zinc/90/73/21/1183907321.db2.gz AZMSLKWVPPMXBU-IPMKNSEASA-N 2 1 308.510 3.412 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC001474546699 1183938289 /nfs/dbraw/zinc/93/82/89/1183938289.db2.gz POQUHQHSVYGWCD-GOSISDBHSA-N 2 1 306.425 3.142 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001474553814 1183939611 /nfs/dbraw/zinc/93/96/11/1183939611.db2.gz XVURGEOUZLIMLB-SFNKJDCFSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001474553814 1183939617 /nfs/dbraw/zinc/93/96/17/1183939617.db2.gz XVURGEOUZLIMLB-SFNKJDCFSA-N 2 1 324.509 3.208 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC001474630273 1183952573 /nfs/dbraw/zinc/95/25/73/1183952573.db2.gz HKTSPQXJBJDYHG-BRWVUGGUSA-N 2 1 308.510 3.434 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001474634766 1183953361 /nfs/dbraw/zinc/95/33/61/1183953361.db2.gz YCTKINCTMGHTCE-WBVHZDCISA-N 2 1 324.509 3.018 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1Cc2ccccc2C1 ZINC001474647807 1183956293 /nfs/dbraw/zinc/95/62/93/1183956293.db2.gz UYEYSODTSWGXHT-JXFKEZNVSA-N 2 1 300.490 3.454 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3n2C)CCN1c1cc[nH+]cc1 ZINC001474686107 1183961994 /nfs/dbraw/zinc/96/19/94/1183961994.db2.gz LQIBUVAAAKFHBL-MRXNPFEDSA-N 2 1 320.440 3.284 20 0 DGADMP CCCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480526502 1184541852 /nfs/dbraw/zinc/54/18/52/1184541852.db2.gz QEYRNXVPQNMBFD-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@H+]1CC[C@H](CNc2cc[nH+]cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001515205968 1186748362 /nfs/dbraw/zinc/74/83/62/1186748362.db2.gz RNUGWYBFGFELQF-DYVFJYSZSA-N 2 1 319.811 3.401 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308121 1193534942 /nfs/dbraw/zinc/53/49/42/1193534942.db2.gz BRPIKHQJSMRHQB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001616308121 1193534944 /nfs/dbraw/zinc/53/49/44/1193534944.db2.gz BRPIKHQJSMRHQB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001616308121 1193534952 /nfs/dbraw/zinc/53/49/52/1193534952.db2.gz BRPIKHQJSMRHQB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001616308121 1193534955 /nfs/dbraw/zinc/53/49/55/1193534955.db2.gz BRPIKHQJSMRHQB-DFQSSKMNSA-N 2 1 318.505 3.380 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001617197761 1193561457 /nfs/dbraw/zinc/56/14/57/1193561457.db2.gz CQXNGTLJMHWBMV-ULQDDVLXSA-N 2 1 308.416 3.451 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC001549039185 1188488695 /nfs/dbraw/zinc/48/86/95/1188488695.db2.gz UTWBLSQMDYASOV-YRXWBPOGSA-N 2 1 308.510 3.149 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC001549775115 1188540320 /nfs/dbraw/zinc/54/03/20/1188540320.db2.gz LCSRJMXVPRYCOA-IRXDYDNUSA-N 2 1 308.853 3.244 20 0 DGADMP CC1(C)C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)C(C)(C)O1 ZINC001550175422 1188590968 /nfs/dbraw/zinc/59/09/68/1188590968.db2.gz PGMIBHOIHWLJPD-OIISXLGYSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)C(C)(C)O1 ZINC001550175422 1188590971 /nfs/dbraw/zinc/59/09/71/1188590971.db2.gz PGMIBHOIHWLJPD-OIISXLGYSA-N 2 1 320.452 3.146 20 0 DGADMP FC1(F)[C@H](C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC001550348768 1188608448 /nfs/dbraw/zinc/60/84/48/1188608448.db2.gz FHJDLXYJRAUIBS-WNRNVDISSA-N 2 1 320.427 3.357 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@H]4C3)co2)cc1 ZINC001550541367 1188622055 /nfs/dbraw/zinc/62/20/55/1188622055.db2.gz VPHZSHNPKMNXRL-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@H]4C3)co2)cc1 ZINC001550541367 1188622058 /nfs/dbraw/zinc/62/20/58/1188622058.db2.gz VPHZSHNPKMNXRL-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)co2)cc1 ZINC001550541367 1188622060 /nfs/dbraw/zinc/62/20/60/1188622060.db2.gz VPHZSHNPKMNXRL-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)co2)cc1 ZINC001550541367 1188622063 /nfs/dbraw/zinc/62/20/63/1188622063.db2.gz VPHZSHNPKMNXRL-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001550540840 1188622696 /nfs/dbraw/zinc/62/26/96/1188622696.db2.gz LUVFUJKVHCWZEJ-DZGCQCFKSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001550540840 1188622698 /nfs/dbraw/zinc/62/26/98/1188622698.db2.gz LUVFUJKVHCWZEJ-DZGCQCFKSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550540840 1188622700 /nfs/dbraw/zinc/62/27/00/1188622700.db2.gz LUVFUJKVHCWZEJ-DZGCQCFKSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550540840 1188622702 /nfs/dbraw/zinc/62/27/02/1188622702.db2.gz LUVFUJKVHCWZEJ-DZGCQCFKSA-N 2 1 317.458 3.095 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@@H]2CCOC23CCCC3)[C@@H](c2ccccc2)C1 ZINC001550699745 1188642985 /nfs/dbraw/zinc/64/29/85/1188642985.db2.gz DYRMAMQGZVLLGW-IPMKNSEASA-N 2 1 314.473 3.023 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c(F)c1 ZINC001551377773 1188732238 /nfs/dbraw/zinc/73/22/38/1188732238.db2.gz JQYXZDDNRWESPJ-AJUCZRQESA-N 2 1 306.400 3.475 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001617860514 1193583598 /nfs/dbraw/zinc/58/35/98/1193583598.db2.gz QMZXSALOALNZOA-VQTJNVASSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001617860514 1193583600 /nfs/dbraw/zinc/58/36/00/1193583600.db2.gz QMZXSALOALNZOA-VQTJNVASSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001617860514 1193583604 /nfs/dbraw/zinc/58/36/04/1193583604.db2.gz QMZXSALOALNZOA-VQTJNVASSA-N 2 1 318.505 3.131 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001552154569 1188820733 /nfs/dbraw/zinc/82/07/33/1188820733.db2.gz LYXWXQCTRMNGMC-VQTJNVASSA-N 2 1 314.473 3.283 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1c1ccccc1 ZINC001552929127 1188883204 /nfs/dbraw/zinc/88/32/04/1188883204.db2.gz UUXLPEXICUEYRN-CEXWTWQISA-N 2 1 314.473 3.010 20 0 DGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001553026279 1188891435 /nfs/dbraw/zinc/89/14/35/1188891435.db2.gz WSHHTADQELRBJW-UOVPBQLFSA-N 2 1 300.446 3.185 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001559586556 1189220225 /nfs/dbraw/zinc/22/02/25/1189220225.db2.gz HFIBLKAUYMNFFQ-INIZCTEOSA-N 2 1 307.507 3.048 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001559586556 1189220226 /nfs/dbraw/zinc/22/02/26/1189220226.db2.gz HFIBLKAUYMNFFQ-INIZCTEOSA-N 2 1 307.507 3.048 20 0 DGADMP Cc1ncsc1CCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001559586556 1189220230 /nfs/dbraw/zinc/22/02/30/1189220230.db2.gz HFIBLKAUYMNFFQ-INIZCTEOSA-N 2 1 307.507 3.048 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@@H](C)c1ccccc1 ZINC001559665537 1189228536 /nfs/dbraw/zinc/22/85/36/1189228536.db2.gz MSKZNNRJEMWCHH-INIZCTEOSA-N 2 1 301.434 3.027 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@@H](C)c1ccccc1 ZINC001559665537 1189228540 /nfs/dbraw/zinc/22/85/40/1189228540.db2.gz MSKZNNRJEMWCHH-INIZCTEOSA-N 2 1 301.434 3.027 20 0 DGADMP CC(C)[C@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689301 1189232004 /nfs/dbraw/zinc/23/20/04/1189232004.db2.gz MBWUZJQHDQADHN-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689301 1189232006 /nfs/dbraw/zinc/23/20/06/1189232006.db2.gz MBWUZJQHDQADHN-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001559689301 1189232008 /nfs/dbraw/zinc/23/20/08/1189232008.db2.gz MBWUZJQHDQADHN-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001559689301 1189232010 /nfs/dbraw/zinc/23/20/10/1189232010.db2.gz MBWUZJQHDQADHN-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC001559792533 1189242855 /nfs/dbraw/zinc/24/28/55/1189242855.db2.gz MCEQTOUHJNAHAV-IBGZPJMESA-N 2 1 316.489 3.145 20 0 DGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC001559946260 1189260714 /nfs/dbraw/zinc/26/07/14/1189260714.db2.gz OZBLOHUQJUFJTI-HKUYNNGSSA-N 2 1 304.478 3.061 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC(C)(C)CO1 ZINC001560043144 1189272844 /nfs/dbraw/zinc/27/28/44/1189272844.db2.gz OVPVOYLJYNBKAW-GOSISDBHSA-N 2 1 304.478 3.385 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](Cc4ccc(CF)cc4)C[C@@]2(C1)CCCC3 ZINC001560238902 1189296646 /nfs/dbraw/zinc/29/66/46/1189296646.db2.gz ZNZFNYDFBDIOKA-KDURUIRLSA-N 2 1 302.437 3.464 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](Cc4ccc(CF)cc4)C[C@@]2(C1)CCCC3 ZINC001560238902 1189296650 /nfs/dbraw/zinc/29/66/50/1189296650.db2.gz ZNZFNYDFBDIOKA-KDURUIRLSA-N 2 1 302.437 3.464 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](Cc4ccc(CF)cc4)C[C@@]2(C1)CCCC3 ZINC001560238902 1189296654 /nfs/dbraw/zinc/29/66/54/1189296654.db2.gz ZNZFNYDFBDIOKA-KDURUIRLSA-N 2 1 302.437 3.464 20 0 DGADMP Clc1ccc2cccnc2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001560263073 1189301965 /nfs/dbraw/zinc/30/19/65/1189301965.db2.gz XYLQPMSADIFGGK-ZDUSSCGKSA-N 2 1 315.848 3.462 20 0 DGADMP Clc1ccc2cccnc2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001560263073 1189301969 /nfs/dbraw/zinc/30/19/69/1189301969.db2.gz XYLQPMSADIFGGK-ZDUSSCGKSA-N 2 1 315.848 3.462 20 0 DGADMP Cc1csc(CCCC[NH2+]Cc2c[nH+]ccc2N(C)C)n1 ZINC001560308186 1189309445 /nfs/dbraw/zinc/30/94/45/1189309445.db2.gz DSMFKKHOJFJNHU-UHFFFAOYSA-N 2 1 304.463 3.025 20 0 DGADMP CCCn1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC001560435195 1189328633 /nfs/dbraw/zinc/32/86/33/1189328633.db2.gz ANSQTZVAMJOUJX-WBVHZDCISA-N 2 1 318.509 3.344 20 0 DGADMP CCCn1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC001560435195 1189328638 /nfs/dbraw/zinc/32/86/38/1189328638.db2.gz ANSQTZVAMJOUJX-WBVHZDCISA-N 2 1 318.509 3.344 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC001560433764 1189328917 /nfs/dbraw/zinc/32/89/17/1189328917.db2.gz XFOYXMYFMZURJU-NUJGCVRESA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC001560433764 1189328922 /nfs/dbraw/zinc/32/89/22/1189328922.db2.gz XFOYXMYFMZURJU-NUJGCVRESA-N 2 1 300.446 3.289 20 0 DGADMP CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)CC1CC[NH+](C)CC1 ZINC001561051250 1189427003 /nfs/dbraw/zinc/42/70/03/1189427003.db2.gz SNHMGZZQQHNSPA-AWEZNQCLSA-N 2 1 321.534 3.432 20 0 DGADMP CCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566072002 1189725969 /nfs/dbraw/zinc/72/59/69/1189725969.db2.gz UJFXKILMCYGFDB-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001570256379 1190830365 /nfs/dbraw/zinc/83/03/65/1190830365.db2.gz LZTAGQQGSARQAB-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[C@@H]1[NH2+]CC12CC[NH+](Cc1csc(C3CC3)n1)CC2 ZINC001575521374 1191488931 /nfs/dbraw/zinc/48/89/31/1191488931.db2.gz CQJKQQBNPANHKC-HNNXBMFYSA-N 2 1 305.491 3.231 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001575615438 1191495805 /nfs/dbraw/zinc/49/58/05/1191495805.db2.gz ZNUINMSEDHFMPE-MJGOQNOKSA-N 2 1 302.462 3.295 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001575943630 1191517719 /nfs/dbraw/zinc/51/77/19/1191517719.db2.gz ZFUSYWVRSYMQMA-MDNKFWRPSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001576053444 1191525488 /nfs/dbraw/zinc/52/54/88/1191525488.db2.gz XUCVMMYHDMQVOE-SMDDNHRTSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC001576119337 1191531984 /nfs/dbraw/zinc/53/19/84/1191531984.db2.gz FJNGKOAMTMQJHE-SNVBAGLBSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001576167368 1191536244 /nfs/dbraw/zinc/53/62/44/1191536244.db2.gz DRRFIMTUQSKQQA-SCLBCKFNSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001576167368 1191536256 /nfs/dbraw/zinc/53/62/56/1191536256.db2.gz DRRFIMTUQSKQQA-SCLBCKFNSA-N 2 1 324.428 3.015 20 0 DGADMP C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001576315375 1191559849 /nfs/dbraw/zinc/55/98/49/1191559849.db2.gz JQVDLHQBWGWOOY-OAHLLOKOSA-N 2 1 315.486 3.086 20 0 DGADMP C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC001576315375 1191559850 /nfs/dbraw/zinc/55/98/50/1191559850.db2.gz JQVDLHQBWGWOOY-OAHLLOKOSA-N 2 1 315.486 3.086 20 0 DGADMP C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC001576314920 1191560503 /nfs/dbraw/zinc/56/05/03/1191560503.db2.gz HXQYOPFFMDFDMY-NWDGAFQWSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC001576314920 1191560506 /nfs/dbraw/zinc/56/05/06/1191560506.db2.gz HXQYOPFFMDFDMY-NWDGAFQWSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC001576314920 1191560511 /nfs/dbraw/zinc/56/05/11/1191560511.db2.gz HXQYOPFFMDFDMY-NWDGAFQWSA-N 2 1 306.841 3.209 20 0 DGADMP COCC[N@H+](Cc1c(C)cccc1C)CC1CC[NH+](C)CC1 ZINC001620482347 1193772419 /nfs/dbraw/zinc/77/24/19/1193772419.db2.gz GHUCCMJYWJINFL-UHFFFAOYSA-N 2 1 304.478 3.094 20 0 DGADMP CC(C)C[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)CC1CC[NH+](C)CC1 ZINC001620524640 1193776083 /nfs/dbraw/zinc/77/60/83/1193776083.db2.gz HNJFQPCDHZWPNA-RTBURBONSA-N 2 1 308.510 3.244 20 0 DGADMP CC(C)C[N@@H+](CCN(C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC001620524730 1193776094 /nfs/dbraw/zinc/77/60/94/1193776094.db2.gz NTQZIVUGDDYULC-UHFFFAOYSA-N 2 1 317.521 3.423 20 0 DGADMP CC(C)C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)CC1CC[NH+](C)CC1 ZINC001620524639 1193776291 /nfs/dbraw/zinc/77/62/91/1193776291.db2.gz HNJFQPCDHZWPNA-RBUKOAKNSA-N 2 1 308.510 3.244 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)CC1 ZINC001620531388 1193777181 /nfs/dbraw/zinc/77/71/81/1193777181.db2.gz DYXKMHJHTJWKLF-KRWDZBQOSA-N 2 1 306.494 3.286 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(OC)cc2)C2CC2)CC1 ZINC001621225681 1193819019 /nfs/dbraw/zinc/81/90/19/1193819019.db2.gz UBBCCUOYTDMKHJ-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(Br)c1 ZINC000043498953 1194221455 /nfs/dbraw/zinc/22/14/55/1194221455.db2.gz XMCPZTKODRZHJE-OAHLLOKOSA-N 2 1 311.267 3.413 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(Br)c1 ZINC000043498953 1194221458 /nfs/dbraw/zinc/22/14/58/1194221458.db2.gz XMCPZTKODRZHJE-OAHLLOKOSA-N 2 1 311.267 3.413 20 0 DGADMP Cc1nccn1-c1ccncc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001633803018 1194456782 /nfs/dbraw/zinc/45/67/82/1194456782.db2.gz RBOUWRYIRJGJAJ-UONOGXRCSA-N 2 1 324.409 3.379 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001642323334 1194901621 /nfs/dbraw/zinc/90/16/21/1194901621.db2.gz ITKRIXVNKYBIHO-VQTJNVASSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001642323334 1194901624 /nfs/dbraw/zinc/90/16/24/1194901624.db2.gz ITKRIXVNKYBIHO-VQTJNVASSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001642323334 1194901627 /nfs/dbraw/zinc/90/16/27/1194901627.db2.gz ITKRIXVNKYBIHO-VQTJNVASSA-N 2 1 318.505 3.034 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CCC(F)(F)CC1 ZINC001644570582 1195118038 /nfs/dbraw/zinc/11/80/38/1195118038.db2.gz LTUKAPGAOSTLPW-AWEZNQCLSA-N 2 1 309.404 3.418 20 0 DGADMP CC[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644595005 1195119662 /nfs/dbraw/zinc/11/96/62/1195119662.db2.gz NUVYABKUASPLBD-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001644595005 1195119663 /nfs/dbraw/zinc/11/96/63/1195119663.db2.gz NUVYABKUASPLBD-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001644595005 1195119666 /nfs/dbraw/zinc/11/96/66/1195119666.db2.gz NUVYABKUASPLBD-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001644595005 1195119667 /nfs/dbraw/zinc/11/96/67/1195119667.db2.gz NUVYABKUASPLBD-UYAOXDASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@@H](C)C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437426 1195299936 /nfs/dbraw/zinc/29/99/36/1195299936.db2.gz LUDQYLHLZZOYPT-GOSISDBHSA-N 2 1 304.478 3.257 20 0 DGADMP CC[C@@H](C)C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437426 1195299938 /nfs/dbraw/zinc/29/99/38/1195299938.db2.gz LUDQYLHLZZOYPT-GOSISDBHSA-N 2 1 304.478 3.257 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001648437426 1195299942 /nfs/dbraw/zinc/29/99/42/1195299942.db2.gz LUDQYLHLZZOYPT-GOSISDBHSA-N 2 1 304.478 3.257 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001648437426 1195299947 /nfs/dbraw/zinc/29/99/47/1195299947.db2.gz LUDQYLHLZZOYPT-GOSISDBHSA-N 2 1 304.478 3.257 20 0 DGADMP CCC[N@@H+](CCOCC)C1CCN(Cc2ccccc2)CC1 ZINC001648597926 1195311930 /nfs/dbraw/zinc/31/19/30/1195311930.db2.gz GFQHMYQLESUIFJ-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC001648720870 1195325710 /nfs/dbraw/zinc/32/57/10/1195325710.db2.gz POTYPIPJNZIMOI-UHFFFAOYSA-N 2 1 303.494 3.492 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001650373318 1195361554 /nfs/dbraw/zinc/36/15/54/1195361554.db2.gz HEYLKKUBGJAWEN-UHFFFAOYSA-N 2 1 309.360 3.363 20 0 DGADMP CO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1cccc(Cl)c1 ZINC001650545881 1195362412 /nfs/dbraw/zinc/36/24/12/1195362412.db2.gz RRIFSWPWRBBSGO-QGZVFWFLSA-N 2 1 319.836 3.278 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC001651226844 1195428617 /nfs/dbraw/zinc/42/86/17/1195428617.db2.gz DPSVMTAKEZKQKV-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC001651226844 1195428621 /nfs/dbraw/zinc/42/86/21/1195428621.db2.gz DPSVMTAKEZKQKV-MTFMMBMASA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)C ZINC001651227863 1195429067 /nfs/dbraw/zinc/42/90/67/1195429067.db2.gz NTXYVTQRRXWYCA-QZTJIDSGSA-N 2 1 304.478 3.159 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)C ZINC001651227863 1195429071 /nfs/dbraw/zinc/42/90/71/1195429071.db2.gz NTXYVTQRRXWYCA-QZTJIDSGSA-N 2 1 304.478 3.159 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c2ccccc12 ZINC001651697867 1195498461 /nfs/dbraw/zinc/49/84/61/1195498461.db2.gz KMNRQPOMAJQVOA-ATZDWAIDSA-N 2 1 310.441 3.278 20 0 DGADMP CC[NH+]1CCC(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838229 1195514925 /nfs/dbraw/zinc/51/49/25/1195514925.db2.gz GGEIAXOIPFXWQP-SCTDSRPQSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](N3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838229 1195514929 /nfs/dbraw/zinc/51/49/29/1195514929.db2.gz GGEIAXOIPFXWQP-SCTDSRPQSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](N3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838229 1195514931 /nfs/dbraw/zinc/51/49/31/1195514931.db2.gz GGEIAXOIPFXWQP-SCTDSRPQSA-N 2 1 307.526 3.056 20 0 DGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001651862375 1195517959 /nfs/dbraw/zinc/51/79/59/1195517959.db2.gz GFSRHLUQGIIUDC-QGZVFWFLSA-N 2 1 322.468 3.321 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C12CCC2 ZINC001652321349 1195582406 /nfs/dbraw/zinc/58/24/06/1195582406.db2.gz OMWOFNUYQFDUJG-OKZBNKHCSA-N 2 1 306.494 3.331 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000067222733 1195608329 /nfs/dbraw/zinc/60/83/29/1195608329.db2.gz IUMGEFQZBYLRJT-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000067222733 1195608334 /nfs/dbraw/zinc/60/83/34/1195608334.db2.gz IUMGEFQZBYLRJT-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000067222712 1195608527 /nfs/dbraw/zinc/60/85/27/1195608527.db2.gz NHQRCXRQRLETMP-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000067222710 1195608551 /nfs/dbraw/zinc/60/85/51/1195608551.db2.gz NHQRCXRQRLETMP-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000067223106 1195608912 /nfs/dbraw/zinc/60/89/12/1195608912.db2.gz YGNKZVNYZCJPSV-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000067223106 1195608916 /nfs/dbraw/zinc/60/89/16/1195608916.db2.gz YGNKZVNYZCJPSV-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000067222732 1195609010 /nfs/dbraw/zinc/60/90/10/1195609010.db2.gz IUMGEFQZBYLRJT-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000067222732 1195609016 /nfs/dbraw/zinc/60/90/16/1195609016.db2.gz IUMGEFQZBYLRJT-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC001653041972 1195683220 /nfs/dbraw/zinc/68/32/20/1195683220.db2.gz SUAYAMQOSNHKKD-KRWDZBQOSA-N 2 1 320.477 3.248 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC001653224365 1195701021 /nfs/dbraw/zinc/70/10/21/1195701021.db2.gz AOAULOZQXNHWGU-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC001653367823 1195714891 /nfs/dbraw/zinc/71/48/91/1195714891.db2.gz UUBGWMWLJFHLDY-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC001653446302 1195723744 /nfs/dbraw/zinc/72/37/44/1195723744.db2.gz YBQJQSLOTVLEJM-WOJBJXKFSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC001653446302 1195723748 /nfs/dbraw/zinc/72/37/48/1195723748.db2.gz YBQJQSLOTVLEJM-WOJBJXKFSA-N 2 1 320.521 3.339 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC001653446302 1195723749 /nfs/dbraw/zinc/72/37/49/1195723749.db2.gz YBQJQSLOTVLEJM-WOJBJXKFSA-N 2 1 320.521 3.339 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC001654005261 1195765987 /nfs/dbraw/zinc/76/59/87/1195765987.db2.gz YWEBVZSOHSZPFO-HXUWFJFHSA-N 2 1 317.521 3.443 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1sc2ccccc2c1C ZINC001654069856 1195772157 /nfs/dbraw/zinc/77/21/57/1195772157.db2.gz FIUDRJIQBFRMDF-ZIAGYGMSSA-N 2 1 306.475 3.173 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1sc2ccccc2c1C ZINC001654069856 1195772161 /nfs/dbraw/zinc/77/21/61/1195772161.db2.gz FIUDRJIQBFRMDF-ZIAGYGMSSA-N 2 1 306.475 3.173 20 0 DGADMP Cc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000069785277 1195820105 /nfs/dbraw/zinc/82/01/05/1195820105.db2.gz SHTKSBVLCJXMOY-UHFFFAOYSA-N 2 1 323.484 3.032 20 0 DGADMP C[C@@H]1[C@H](N(C)C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057665 1195870229 /nfs/dbraw/zinc/87/02/29/1195870229.db2.gz RNNKBRZRJYIDQM-YLJYHZDGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](N(C)C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655057665 1195870232 /nfs/dbraw/zinc/87/02/32/1195870232.db2.gz RNNKBRZRJYIDQM-YLJYHZDGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC001655302133 1195901271 /nfs/dbraw/zinc/90/12/71/1195901271.db2.gz MDGPAPCLQRUMGZ-IRXDYDNUSA-N 2 1 318.509 3.141 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001655456644 1195920412 /nfs/dbraw/zinc/92/04/12/1195920412.db2.gz STDXZXUWPKOLGE-UHFFFAOYSA-N 2 1 308.385 3.169 20 0 DGADMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1C ZINC001655633955 1195943657 /nfs/dbraw/zinc/94/36/57/1195943657.db2.gz CQUWJJAUUDPPLW-INIZCTEOSA-N 2 1 311.429 3.109 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC001655725387 1195956649 /nfs/dbraw/zinc/95/66/49/1195956649.db2.gz WBTGVXUMJDOLBG-UONOGXRCSA-N 2 1 324.852 3.074 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nccn2C)cc1 ZINC001656047007 1195992637 /nfs/dbraw/zinc/99/26/37/1195992637.db2.gz TVKZDXVETJBMEL-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nccn2C)cc1 ZINC001656047007 1195992640 /nfs/dbraw/zinc/99/26/40/1195992640.db2.gz TVKZDXVETJBMEL-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1C1CCCC1)[NH+]1CCCCC1 ZINC001656071470 1195993859 /nfs/dbraw/zinc/99/38/59/1195993859.db2.gz UFSPJGDKCAOULE-INIZCTEOSA-N 2 1 318.509 3.432 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001656071528 1195995224 /nfs/dbraw/zinc/99/52/24/1195995224.db2.gz VVVXOYVJMQKDGP-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC001656186343 1196015460 /nfs/dbraw/zinc/01/54/60/1196015460.db2.gz JURDNLOQSWOYPA-UHFFFAOYSA-N 2 1 303.494 3.492 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC(F)F)C1 ZINC001656632660 1196056606 /nfs/dbraw/zinc/05/66/06/1196056606.db2.gz ICYMJWXUDZYVND-LSDHHAIUSA-N 2 1 312.404 3.293 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001656632645 1196056795 /nfs/dbraw/zinc/05/67/95/1196056795.db2.gz HYUJCTFSEXWNPP-IRXDYDNUSA-N 2 1 313.445 3.206 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC001656812538 1196073492 /nfs/dbraw/zinc/07/34/92/1196073492.db2.gz UWTXDNYFXMDCJI-NVXWUHKLSA-N 2 1 320.477 3.304 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001656889948 1196080099 /nfs/dbraw/zinc/08/00/99/1196080099.db2.gz RSAJERWRBCMFDD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001657057189 1196098487 /nfs/dbraw/zinc/09/84/87/1196098487.db2.gz ROTAYUXXOZBOLN-RDJZCZTQSA-N 2 1 304.478 3.263 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001657057189 1196098492 /nfs/dbraw/zinc/09/84/92/1196098492.db2.gz ROTAYUXXOZBOLN-RDJZCZTQSA-N 2 1 304.478 3.263 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC001657148567 1196111125 /nfs/dbraw/zinc/11/11/25/1196111125.db2.gz ITNXLDQTXSJOJI-QRTARXTBSA-N 2 1 315.848 3.318 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c(C)c1 ZINC001657148622 1196111294 /nfs/dbraw/zinc/11/12/94/1196111294.db2.gz JZSCLPKOUDWJED-BHIYHBOVSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccccc1Cl ZINC001657313844 1196129902 /nfs/dbraw/zinc/12/99/02/1196129902.db2.gz LJFNUYKIWTUEOM-CYBMUJFWSA-N 2 1 319.836 3.358 20 0 DGADMP CCNc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001657342954 1196132344 /nfs/dbraw/zinc/13/23/44/1196132344.db2.gz YHKVJDMITLMOGS-KRWDZBQOSA-N 2 1 301.478 3.282 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001657342954 1196132345 /nfs/dbraw/zinc/13/23/45/1196132345.db2.gz YHKVJDMITLMOGS-KRWDZBQOSA-N 2 1 301.478 3.282 20 0 DGADMP CCNc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001657342954 1196132348 /nfs/dbraw/zinc/13/23/48/1196132348.db2.gz YHKVJDMITLMOGS-KRWDZBQOSA-N 2 1 301.478 3.282 20 0 DGADMP CCNc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001657342954 1196132350 /nfs/dbraw/zinc/13/23/50/1196132350.db2.gz YHKVJDMITLMOGS-KRWDZBQOSA-N 2 1 301.478 3.282 20 0 DGADMP CCn1cnc(Cl)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC001657421023 1196139700 /nfs/dbraw/zinc/13/97/00/1196139700.db2.gz MUAYFQURSFYOKN-UHFFFAOYSA-N 2 1 312.889 3.109 20 0 DGADMP CCn1cnc(Cl)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001657421023 1196139702 /nfs/dbraw/zinc/13/97/02/1196139702.db2.gz MUAYFQURSFYOKN-UHFFFAOYSA-N 2 1 312.889 3.109 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657471575 1196146312 /nfs/dbraw/zinc/14/63/12/1196146312.db2.gz NTCDGBRPXHMUCJ-QUCCMNQESA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657471575 1196146316 /nfs/dbraw/zinc/14/63/16/1196146316.db2.gz NTCDGBRPXHMUCJ-QUCCMNQESA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657471575 1196146321 /nfs/dbraw/zinc/14/63/21/1196146321.db2.gz NTCDGBRPXHMUCJ-QUCCMNQESA-N 2 1 318.505 3.194 20 0 DGADMP CC(C)[C@@H](O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001657552221 1196153977 /nfs/dbraw/zinc/15/39/77/1196153977.db2.gz IXYBGKMHXVHHPH-HKUYNNGSSA-N 2 1 310.526 3.370 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC001657703046 1196170532 /nfs/dbraw/zinc/17/05/32/1196170532.db2.gz QPGVIZCVWDRCJK-RTBURBONSA-N 2 1 306.494 3.237 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC001657703046 1196170533 /nfs/dbraw/zinc/17/05/33/1196170533.db2.gz QPGVIZCVWDRCJK-RTBURBONSA-N 2 1 306.494 3.237 20 0 DGADMP c1cc2c(c(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)c1)OCC2 ZINC001657729382 1196172623 /nfs/dbraw/zinc/17/26/23/1196172623.db2.gz WDFOOIOFQDVCMT-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCCC1 ZINC001657756097 1196175339 /nfs/dbraw/zinc/17/53/39/1196175339.db2.gz LSSSGIZIHQNXNS-UHFFFAOYSA-N 2 1 312.461 3.084 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1OC ZINC001657769144 1196177400 /nfs/dbraw/zinc/17/74/00/1196177400.db2.gz WEGNXHQPDBCKCG-INIZCTEOSA-N 2 1 320.477 3.448 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC001657795496 1196178696 /nfs/dbraw/zinc/17/86/96/1196178696.db2.gz HIVIGVLUAQWETB-VQTJNVASSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001657795496 1196178697 /nfs/dbraw/zinc/17/86/97/1196178697.db2.gz HIVIGVLUAQWETB-VQTJNVASSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001657795496 1196178700 /nfs/dbraw/zinc/17/87/00/1196178700.db2.gz HIVIGVLUAQWETB-VQTJNVASSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC001657795497 1196178944 /nfs/dbraw/zinc/17/89/44/1196178944.db2.gz HIVIGVLUAQWETB-WOJBJXKFSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001657795497 1196178945 /nfs/dbraw/zinc/17/89/45/1196178945.db2.gz HIVIGVLUAQWETB-WOJBJXKFSA-N 2 1 318.505 3.175 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001657795497 1196178947 /nfs/dbraw/zinc/17/89/47/1196178947.db2.gz HIVIGVLUAQWETB-WOJBJXKFSA-N 2 1 318.505 3.175 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC001657892325 1196191625 /nfs/dbraw/zinc/19/16/25/1196191625.db2.gz ULHPPRFUIHJQAU-UHFFFAOYSA-N 2 1 308.441 3.436 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC001658262663 1196232740 /nfs/dbraw/zinc/23/27/40/1196232740.db2.gz HQWXSTGYWZGFJI-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001658262663 1196232744 /nfs/dbraw/zinc/23/27/44/1196232744.db2.gz HQWXSTGYWZGFJI-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001658262663 1196232748 /nfs/dbraw/zinc/23/27/48/1196232748.db2.gz HQWXSTGYWZGFJI-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC001658262663 1196232753 /nfs/dbraw/zinc/23/27/53/1196232753.db2.gz HQWXSTGYWZGFJI-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC001658262663 1196232759 /nfs/dbraw/zinc/23/27/59/1196232759.db2.gz HQWXSTGYWZGFJI-CRAIPNDOSA-N 2 1 306.425 3.141 20 0 DGADMP CC[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC001658341312 1196244867 /nfs/dbraw/zinc/24/48/67/1196244867.db2.gz PODMMLCDXVMCSJ-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC001658341312 1196244871 /nfs/dbraw/zinc/24/48/71/1196244871.db2.gz PODMMLCDXVMCSJ-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCCCCC1 ZINC001658641594 1196283627 /nfs/dbraw/zinc/28/36/27/1196283627.db2.gz FHZRXAYRMAMNMR-GOSISDBHSA-N 2 1 308.510 3.437 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C2 ZINC001659110529 1196346705 /nfs/dbraw/zinc/34/67/05/1196346705.db2.gz ZQWUYBCXHMQURP-FUHWJXTLSA-N 2 1 316.489 3.263 20 0 DGADMP C[C@H](CO)[N@@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001659116918 1196347481 /nfs/dbraw/zinc/34/74/81/1196347481.db2.gz QYOJHYQNRZVVTF-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](CO)[NH+](C)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001659116918 1196347485 /nfs/dbraw/zinc/34/74/85/1196347485.db2.gz QYOJHYQNRZVVTF-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@H](CO)[NH+](C)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001659116918 1196347489 /nfs/dbraw/zinc/34/74/89/1196347489.db2.gz QYOJHYQNRZVVTF-YLJYHZDGSA-N 2 1 318.505 3.237 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659665425 1196404790 /nfs/dbraw/zinc/40/47/90/1196404790.db2.gz AOTYNWKHWSQTKC-QWFCFKBJSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659665425 1196404791 /nfs/dbraw/zinc/40/47/91/1196404791.db2.gz AOTYNWKHWSQTKC-QWFCFKBJSA-N 2 1 317.521 3.359 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001659708143 1196407142 /nfs/dbraw/zinc/40/71/42/1196407142.db2.gz VBKRWPPFBJVKOQ-INIZCTEOSA-N 2 1 319.468 3.055 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC001659734193 1196409737 /nfs/dbraw/zinc/40/97/37/1196409737.db2.gz SWDFDDDROIHNPP-APWZRJJASA-N 2 1 303.494 3.375 20 0 DGADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H]1OC ZINC001659748002 1196410773 /nfs/dbraw/zinc/41/07/73/1196410773.db2.gz FBOMNLKHYGNWTI-KSZLIROESA-N 2 1 308.510 3.292 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC001659829195 1196419518 /nfs/dbraw/zinc/41/95/18/1196419518.db2.gz ZVGSLFTXZAASKG-WMZOPIPTSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C ZINC001659829195 1196419522 /nfs/dbraw/zinc/41/95/22/1196419522.db2.gz ZVGSLFTXZAASKG-WMZOPIPTSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001659829195 1196419525 /nfs/dbraw/zinc/41/95/25/1196419525.db2.gz ZVGSLFTXZAASKG-WMZOPIPTSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C ZINC001659829195 1196419529 /nfs/dbraw/zinc/41/95/29/1196419529.db2.gz ZVGSLFTXZAASKG-WMZOPIPTSA-N 2 1 304.503 3.422 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)CC1 ZINC001659873936 1196424731 /nfs/dbraw/zinc/42/47/31/1196424731.db2.gz ZEVXKNSSTXPVQF-HNNXBMFYSA-N 2 1 322.415 3.150 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC001659907098 1196427913 /nfs/dbraw/zinc/42/79/13/1196427913.db2.gz VAFKDMRUMIPDSM-UHFFFAOYSA-N 2 1 318.461 3.156 20 0 DGADMP C[C@H]1C[N@@H+](CCc2ccc(F)c(F)c2)CCN1c1cc[nH+]cc1 ZINC001659975288 1196433477 /nfs/dbraw/zinc/43/34/77/1196433477.db2.gz KDJBZVNWHCTCGX-AWEZNQCLSA-N 2 1 317.383 3.113 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CC[N@@H+]2CCCC2(C)C)cc1F ZINC001660011599 1196437803 /nfs/dbraw/zinc/43/78/03/1196437803.db2.gz ZDKACSKRJWCLDB-OAHLLOKOSA-N 2 1 322.468 3.477 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CC[N@H+]2CCCC2(C)C)cc1F ZINC001660011599 1196437807 /nfs/dbraw/zinc/43/78/07/1196437807.db2.gz ZDKACSKRJWCLDB-OAHLLOKOSA-N 2 1 322.468 3.477 20 0 DGADMP CC(C)O[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001660407432 1196479588 /nfs/dbraw/zinc/47/95/88/1196479588.db2.gz RLFWBFUUQKBVOB-QRVBRYPASA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001660407432 1196479589 /nfs/dbraw/zinc/47/95/89/1196479589.db2.gz RLFWBFUUQKBVOB-QRVBRYPASA-N 2 1 302.462 3.036 20 0 DGADMP CC(C)O[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001660407432 1196479591 /nfs/dbraw/zinc/47/95/91/1196479591.db2.gz RLFWBFUUQKBVOB-QRVBRYPASA-N 2 1 302.462 3.036 20 0 DGADMP CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001660576466 1196499207 /nfs/dbraw/zinc/49/92/07/1196499207.db2.gz CFZGMNMYLQURDO-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001660576466 1196499209 /nfs/dbraw/zinc/49/92/09/1196499209.db2.gz CFZGMNMYLQURDO-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001660576466 1196499216 /nfs/dbraw/zinc/49/92/16/1196499216.db2.gz CFZGMNMYLQURDO-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1C[C@@H]2CN(Cc3ccc(SC(F)F)cc3)C[C@]2(C)C1 ZINC001660800914 1196526455 /nfs/dbraw/zinc/52/64/55/1196526455.db2.gz XHIMDHCEAAIRRJ-CJNGLKHVSA-N 2 1 312.429 3.385 20 0 DGADMP CC1(C)CC2(CO1)CCC([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC001660888742 1196538910 /nfs/dbraw/zinc/53/89/10/1196538910.db2.gz MDZUCFLFCACGFM-MDCZIUGASA-N 2 1 306.494 3.188 20 0 DGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(F)c1 ZINC001660893092 1196539574 /nfs/dbraw/zinc/53/95/74/1196539574.db2.gz NQLXVXIFSZYDLZ-ZNMIVQPWSA-N 2 1 308.416 3.435 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)[C@@H]2C1 ZINC001660928799 1196543449 /nfs/dbraw/zinc/54/34/49/1196543449.db2.gz IXAFVRVJYCKDOL-QKUFINLMSA-N 2 1 306.400 3.141 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001661183660 1196576894 /nfs/dbraw/zinc/57/68/94/1196576894.db2.gz HFGSUDKJAQYDAK-AEFFLSMTSA-N 2 1 316.489 3.264 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC001661194826 1196579338 /nfs/dbraw/zinc/57/93/38/1196579338.db2.gz BDQXNXRBGOXCGS-UHFFFAOYSA-N 2 1 304.444 3.166 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnn(C)c1 ZINC000077434309 1196595574 /nfs/dbraw/zinc/59/55/74/1196595574.db2.gz XHCRSEKYJDKTPI-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2c[nH+]ccc2N(C)C)C1 ZINC001661424648 1196604402 /nfs/dbraw/zinc/60/44/02/1196604402.db2.gz DIUMVUOMOPUWNY-INIZCTEOSA-N 2 1 318.509 3.138 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNCc2c[nH+]ccc2N(C)C)C1 ZINC001661424648 1196604405 /nfs/dbraw/zinc/60/44/05/1196604405.db2.gz DIUMVUOMOPUWNY-INIZCTEOSA-N 2 1 318.509 3.138 20 0 DGADMP CC1(C)CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)C1 ZINC001661454101 1196606933 /nfs/dbraw/zinc/60/69/33/1196606933.db2.gz CABKPEREDJLTFV-QGZVFWFLSA-N 2 1 310.526 3.418 20 0 DGADMP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001661950508 1196665503 /nfs/dbraw/zinc/66/55/03/1196665503.db2.gz SYCSBNRLLGLKEC-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC001662169003 1196689642 /nfs/dbraw/zinc/68/96/42/1196689642.db2.gz XFOYXMYFMZURJU-SOLBZPMBSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC001662169003 1196689643 /nfs/dbraw/zinc/68/96/43/1196689643.db2.gz XFOYXMYFMZURJU-SOLBZPMBSA-N 2 1 300.446 3.289 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001662188824 1196692070 /nfs/dbraw/zinc/69/20/70/1196692070.db2.gz YCGVTJOCVMFKJE-FAJBIJEISA-N 2 1 308.510 3.433 20 0 DGADMP CC(C)n1c2ccccc2nc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001662623117 1196734436 /nfs/dbraw/zinc/73/44/36/1196734436.db2.gz BSDXNLMIGQMZFJ-MRXNPFEDSA-N 2 1 314.477 3.439 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1Br ZINC001663482464 1196883643 /nfs/dbraw/zinc/88/36/43/1196883643.db2.gz CGLTZRCHYVMLEN-OFQRWUPVSA-N 2 1 323.278 3.187 20 0 DGADMP COc1ccc(SCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001663691441 1196928963 /nfs/dbraw/zinc/92/89/63/1196928963.db2.gz ZYWVWRUTDQWCHO-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP COc1ccc(SCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001663691441 1196928967 /nfs/dbraw/zinc/92/89/67/1196928967.db2.gz ZYWVWRUTDQWCHO-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP COc1ccc(SCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001663691441 1196928971 /nfs/dbraw/zinc/92/89/71/1196928971.db2.gz ZYWVWRUTDQWCHO-HNNXBMFYSA-N 2 1 308.491 3.061 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2cc(C)cc(C)c2)C1 ZINC001663767818 1196942521 /nfs/dbraw/zinc/94/25/21/1196942521.db2.gz QPHPLHAKMAIIJR-FQEVSTJZSA-N 2 1 318.505 3.279 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001664543373 1197012651 /nfs/dbraw/zinc/01/26/51/1197012651.db2.gz LDYIQIAYTJROPX-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001664543373 1197012655 /nfs/dbraw/zinc/01/26/55/1197012655.db2.gz LDYIQIAYTJROPX-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001664543373 1197012658 /nfs/dbraw/zinc/01/26/58/1197012658.db2.gz LDYIQIAYTJROPX-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](C)c1ccccc1 ZINC001664590721 1197018062 /nfs/dbraw/zinc/01/80/62/1197018062.db2.gz AAYWIPGFDFZDSJ-ICSRJNTNSA-N 2 1 317.521 3.138 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001664879329 1197074425 /nfs/dbraw/zinc/07/44/25/1197074425.db2.gz QVOQHNMMCAAHJX-RYRKJORJSA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001664879329 1197074429 /nfs/dbraw/zinc/07/44/29/1197074429.db2.gz QVOQHNMMCAAHJX-RYRKJORJSA-N 2 1 304.478 3.336 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001664910201 1197078805 /nfs/dbraw/zinc/07/88/05/1197078805.db2.gz UMQCQKNLRRFABG-NSHGMRRFSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001664910201 1197078808 /nfs/dbraw/zinc/07/88/08/1197078808.db2.gz UMQCQKNLRRFABG-NSHGMRRFSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001664910201 1197078813 /nfs/dbraw/zinc/07/88/13/1197078813.db2.gz UMQCQKNLRRFABG-NSHGMRRFSA-N 2 1 317.521 3.358 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1ccc2nonc2c1)C1CCCCC1 ZINC001665173512 1197105376 /nfs/dbraw/zinc/10/53/76/1197105376.db2.gz LZQRCEVJDNKTQH-UHFFFAOYSA-N 2 1 316.449 3.357 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1ccc2nonc2c1)C1CCCCC1 ZINC001665173512 1197105379 /nfs/dbraw/zinc/10/53/79/1197105379.db2.gz LZQRCEVJDNKTQH-UHFFFAOYSA-N 2 1 316.449 3.357 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277343 1197117703 /nfs/dbraw/zinc/11/77/03/1197117703.db2.gz OMDIXYZTWOXYJG-RYQLBKOJSA-N 2 1 306.494 3.331 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC001665277343 1197117710 /nfs/dbraw/zinc/11/77/10/1197117710.db2.gz OMDIXYZTWOXYJG-RYQLBKOJSA-N 2 1 306.494 3.331 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4c(cccc4O)s3)[C@@H]2C1 ZINC001665936979 1197218156 /nfs/dbraw/zinc/21/81/56/1197218156.db2.gz JLYLQIXPPOZOBD-NILFDRSVSA-N 2 1 302.443 3.037 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000390773263 1197713357 /nfs/dbraw/zinc/71/33/57/1197713357.db2.gz KYMOUTLCMMZAAZ-VQTJNVASSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000390773262 1197713789 /nfs/dbraw/zinc/71/37/89/1197713789.db2.gz KYMOUTLCMMZAAZ-UXHICEINSA-N 2 1 316.489 3.444 20 0 DGADMP CCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001674939441 1197926903 /nfs/dbraw/zinc/92/69/03/1197926903.db2.gz VKZDFOUKBJIGMX-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001674939441 1197926914 /nfs/dbraw/zinc/92/69/14/1197926914.db2.gz VKZDFOUKBJIGMX-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001674939441 1197926919 /nfs/dbraw/zinc/92/69/19/1197926919.db2.gz VKZDFOUKBJIGMX-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000108428171 1199604519 /nfs/dbraw/zinc/60/45/19/1199604519.db2.gz HTQQUZQOUHFZTF-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000304336564 1199647194 /nfs/dbraw/zinc/64/71/94/1199647194.db2.gz SGJVGGITRJKCNO-INIZCTEOSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1ncc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309738077 1199708327 /nfs/dbraw/zinc/70/83/27/1199708327.db2.gz RCRWICLFBVFTIG-QGZVFWFLSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309738077 1199708330 /nfs/dbraw/zinc/70/83/30/1199708330.db2.gz RCRWICLFBVFTIG-QGZVFWFLSA-N 2 1 315.486 3.453 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C(=O)OC)cc1 ZINC000318312667 1199830083 /nfs/dbraw/zinc/83/00/83/1199830083.db2.gz QZRNGFHPVMEMSK-UHFFFAOYSA-N 2 1 306.450 3.027 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C(=O)OC)cc1 ZINC000318312667 1199830086 /nfs/dbraw/zinc/83/00/86/1199830086.db2.gz QZRNGFHPVMEMSK-UHFFFAOYSA-N 2 1 306.450 3.027 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120655382 1200164207 /nfs/dbraw/zinc/16/42/07/1200164207.db2.gz VLRKYPUJOUUREC-LPHOPBHVSA-N 2 1 304.478 3.168 20 0 DGADMP Brc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000120968356 1200186101 /nfs/dbraw/zinc/18/61/01/1200186101.db2.gz KCQDXUYMBRWBKB-UHFFFAOYSA-N 2 1 323.278 3.413 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000122823358 1200271182 /nfs/dbraw/zinc/27/11/82/1200271182.db2.gz YFSCWLWJILXCJX-APWZRJJASA-N 2 1 302.462 3.187 20 0 DGADMP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001755518657 1200930837 /nfs/dbraw/zinc/93/08/37/1200930837.db2.gz RYAKPHMDQLZDBA-ROUUACIJSA-N 2 1 323.525 3.090 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001692120241 1200938349 /nfs/dbraw/zinc/93/83/49/1200938349.db2.gz BKDLVWWHIKJBSN-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000133949102 1201197476 /nfs/dbraw/zinc/19/74/76/1201197476.db2.gz LJYSISWLXNMTJM-QGZVFWFLSA-N 2 1 306.498 3.120 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000133949102 1201197477 /nfs/dbraw/zinc/19/74/77/1201197477.db2.gz LJYSISWLXNMTJM-QGZVFWFLSA-N 2 1 306.498 3.120 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001700139841 1202190584 /nfs/dbraw/zinc/19/05/84/1202190584.db2.gz WNGBNHFZGDZXRC-QGZVFWFLSA-N 2 1 323.525 3.068 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001700184027 1202200273 /nfs/dbraw/zinc/20/02/73/1202200273.db2.gz IBXQCHUIFGLPFD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001700184027 1202200274 /nfs/dbraw/zinc/20/02/74/1202200274.db2.gz IBXQCHUIFGLPFD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001700184027 1202200276 /nfs/dbraw/zinc/20/02/76/1202200276.db2.gz IBXQCHUIFGLPFD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001700185325 1202200844 /nfs/dbraw/zinc/20/08/44/1202200844.db2.gz ZNIDJPPCBRKYAP-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCC(CC)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000236643237 1202616356 /nfs/dbraw/zinc/61/63/56/1202616356.db2.gz DNGVRTKNSNENGL-MRXNPFEDSA-N 2 1 304.478 3.433 20 0 DGADMP CCC(CC)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000236643237 1202616357 /nfs/dbraw/zinc/61/63/57/1202616357.db2.gz DNGVRTKNSNENGL-MRXNPFEDSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000236783845 1202625286 /nfs/dbraw/zinc/62/52/86/1202625286.db2.gz VMXNYFTVPREHRH-UHFFFAOYSA-N 2 1 302.462 3.438 20 0 DGADMP CCCn1c2ccccc2nc1CNC[C@@H]1CC[N@@H+](CCC)C1 ZINC000236809551 1202625889 /nfs/dbraw/zinc/62/58/89/1202625889.db2.gz VZHGMWRVSWZDQS-INIZCTEOSA-N 2 1 314.477 3.268 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000237157327 1202651609 /nfs/dbraw/zinc/65/16/09/1202651609.db2.gz HNFZKFOEQSJKCM-UHFFFAOYSA-N 2 1 323.569 3.455 20 0 DGADMP CCCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001723641099 1203987093 /nfs/dbraw/zinc/98/70/93/1203987093.db2.gz YMVMVPCCCXGBCY-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP CC/C=C/CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725162789 1204107688 /nfs/dbraw/zinc/10/76/88/1204107688.db2.gz UKUQYJMSJWPAEP-OZSKJFCKSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001725398762 1204145587 /nfs/dbraw/zinc/14/55/87/1204145587.db2.gz ABSUWALOKYEIHA-SJLPKXTDSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731692980 1204506722 /nfs/dbraw/zinc/50/67/22/1204506722.db2.gz QFBBLCRRMATWAM-HOTGVXAUSA-N 2 1 323.525 3.065 20 0 DGADMP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001732442266 1204842356 /nfs/dbraw/zinc/84/23/56/1204842356.db2.gz FCMWWXVLPFUFDK-VUOWKATKSA-N 2 1 323.525 3.042 20 0 DGADMP CCCC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001734087946 1205318500 /nfs/dbraw/zinc/31/85/00/1205318500.db2.gz ODOTWFNAMCHFSZ-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001135995540 1094785725 /nfs/dbraw/zinc/78/57/25/1094785725.db2.gz HPEFWRVDOZLJAD-HZPDHXFCSA-N 2 1 313.530 3.027 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC001208613638 1081637621 /nfs/dbraw/zinc/63/76/21/1081637621.db2.gz XANVPGXMCKULPW-GOSISDBHSA-N 2 1 304.453 3.422 20 0 DGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169948603 1081683245 /nfs/dbraw/zinc/68/32/45/1081683245.db2.gz JFAJAEPGDKTIJO-ROUUACIJSA-N 2 1 322.493 3.013 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(CCc3ccc(F)cc3Cl)C[C@H]2C1 ZINC001209115221 1081689575 /nfs/dbraw/zinc/68/95/75/1081689575.db2.gz LZJMCYOCAUIXII-GASCZTMLSA-N 2 1 310.844 3.295 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C2 ZINC001169983008 1081778492 /nfs/dbraw/zinc/77/84/92/1081778492.db2.gz YTIIXFDUQNAVDI-MKZZRHPPSA-N 2 1 309.498 3.002 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C2 ZINC001169983008 1081778497 /nfs/dbraw/zinc/77/84/97/1081778497.db2.gz YTIIXFDUQNAVDI-MKZZRHPPSA-N 2 1 309.498 3.002 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001648794909 1081779715 /nfs/dbraw/zinc/77/97/15/1081779715.db2.gz HLEIMQLXJXJMCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001648794909 1081779717 /nfs/dbraw/zinc/77/97/17/1081779717.db2.gz HLEIMQLXJXJMCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001648794909 1081779720 /nfs/dbraw/zinc/77/97/20/1081779720.db2.gz HLEIMQLXJXJMCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001648794909 1081779723 /nfs/dbraw/zinc/77/97/23/1081779723.db2.gz HLEIMQLXJXJMCY-QWFCFKBJSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001167308226 1081933505 /nfs/dbraw/zinc/93/35/05/1081933505.db2.gz KBIHJHFGRXQPMS-QGZVFWFLSA-N 2 1 321.428 3.036 20 0 DGADMP Fc1cc2cccnc2c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001648835590 1081939004 /nfs/dbraw/zinc/93/90/04/1081939004.db2.gz VLBNUSBUIMLNJL-UHFFFAOYSA-N 2 1 313.420 3.338 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)C[C@H]1[NH3+] ZINC001206036625 1082102112 /nfs/dbraw/zinc/10/21/12/1082102112.db2.gz MQUKFEZSBRMQCA-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)C[C@H]1[NH3+] ZINC001206036625 1082102116 /nfs/dbraw/zinc/10/21/16/1082102116.db2.gz MQUKFEZSBRMQCA-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136333 1082176973 /nfs/dbraw/zinc/17/69/73/1082176973.db2.gz JUGJUJBEKTUAHS-OAGGEKHMSA-N 2 1 304.482 3.289 20 0 DGADMP C[C@@H]1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000399028322 1082259053 /nfs/dbraw/zinc/25/90/53/1082259053.db2.gz KQSGGKZNELDBNW-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194187 1082304748 /nfs/dbraw/zinc/30/47/48/1082304748.db2.gz MQZCXKICSYGEOB-OWYHZJEWSA-N 2 1 317.477 3.111 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001170215038 1082314323 /nfs/dbraw/zinc/31/43/23/1082314323.db2.gz XOKBAZFEPGANQM-MWDXBVQZSA-N 2 1 320.502 3.069 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001170235250 1082323373 /nfs/dbraw/zinc/32/33/73/1082323373.db2.gz LIWJXFKCZDOEIJ-HSALFYBXSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001170235250 1082323380 /nfs/dbraw/zinc/32/33/80/1082323380.db2.gz LIWJXFKCZDOEIJ-HSALFYBXSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001170235250 1082323385 /nfs/dbraw/zinc/32/33/85/1082323385.db2.gz LIWJXFKCZDOEIJ-HSALFYBXSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1nccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001170333647 1082348751 /nfs/dbraw/zinc/34/87/51/1082348751.db2.gz QKAAQHCGJKAIJU-NNZMDNLPSA-N 2 1 308.429 3.393 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC)CCC[NH+](C)C ZINC001170456081 1082486063 /nfs/dbraw/zinc/48/60/63/1082486063.db2.gz OJBHYHLAVDAQJG-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001267141555 1082558855 /nfs/dbraw/zinc/55/88/55/1082558855.db2.gz DULSVLIXYXLWAE-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592321 1082786792 /nfs/dbraw/zinc/78/67/92/1082786792.db2.gz CDZHHVZZIBPDEU-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592321 1082786795 /nfs/dbraw/zinc/78/67/95/1082786795.db2.gz CDZHHVZZIBPDEU-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)C1 ZINC001170592321 1082786798 /nfs/dbraw/zinc/78/67/98/1082786798.db2.gz CDZHHVZZIBPDEU-HKUYNNGSSA-N 2 1 306.494 3.144 20 0 DGADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140405 1082823804 /nfs/dbraw/zinc/82/38/04/1082823804.db2.gz IFBFYCRZXPYDAK-HOTGVXAUSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140405 1082823806 /nfs/dbraw/zinc/82/38/06/1082823806.db2.gz IFBFYCRZXPYDAK-HOTGVXAUSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140405 1082823808 /nfs/dbraw/zinc/82/38/08/1082823808.db2.gz IFBFYCRZXPYDAK-HOTGVXAUSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211762 1082840000 /nfs/dbraw/zinc/84/00/00/1082840000.db2.gz QZFMGXFQFKMCDV-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441389 1082912575 /nfs/dbraw/zinc/91/25/75/1082912575.db2.gz OGNPAPKYIVLGQD-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441389 1082912577 /nfs/dbraw/zinc/91/25/77/1082912577.db2.gz OGNPAPKYIVLGQD-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441389 1082912580 /nfs/dbraw/zinc/91/25/80/1082912580.db2.gz OGNPAPKYIVLGQD-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001170672142 1083074694 /nfs/dbraw/zinc/07/46/94/1083074694.db2.gz GGWOMRTVOASPBY-OAHLLOKOSA-N 2 1 306.400 3.039 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001170706459 1083194549 /nfs/dbraw/zinc/19/45/49/1083194549.db2.gz FCDZKENCCOTKOL-OAHLLOKOSA-N 2 1 317.383 3.358 20 0 DGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001137993003 1083207559 /nfs/dbraw/zinc/20/75/59/1083207559.db2.gz YEYOMFXJDPSCHB-ZDUSSCGKSA-N 2 1 315.461 3.270 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170714322 1083218276 /nfs/dbraw/zinc/21/82/76/1083218276.db2.gz DQGBEBQPVIIVOY-UXLLHSPISA-N 2 1 320.427 3.096 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170714322 1083218278 /nfs/dbraw/zinc/21/82/78/1083218278.db2.gz DQGBEBQPVIIVOY-UXLLHSPISA-N 2 1 320.427 3.096 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329274 1083574613 /nfs/dbraw/zinc/57/46/13/1083574613.db2.gz GMGXOIZQABGELV-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329274 1083574623 /nfs/dbraw/zinc/57/46/23/1083574623.db2.gz GMGXOIZQABGELV-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267926550 1083581003 /nfs/dbraw/zinc/58/10/03/1083581003.db2.gz SOMRKXUELKLKHG-BZSNNMDCSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3ccc(F)c(F)c3)C2)C1 ZINC001182034002 1083609087 /nfs/dbraw/zinc/60/90/87/1083609087.db2.gz RUMLTXQRYXLISQ-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCc3ccc(F)c(F)c3)C2)C1 ZINC001182034002 1083609090 /nfs/dbraw/zinc/60/90/90/1083609090.db2.gz RUMLTXQRYXLISQ-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCc3ccc(F)c(F)c3)C2)C1 ZINC001182034002 1083609095 /nfs/dbraw/zinc/60/90/95/1083609095.db2.gz RUMLTXQRYXLISQ-GOSISDBHSA-N 2 1 308.416 3.315 20 0 DGADMP CCC(=O)Nc1cc(NCCC[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC001167753455 1083630506 /nfs/dbraw/zinc/63/05/06/1083630506.db2.gz ISAXWMYJUJADCB-CQSZACIVSA-N 2 1 304.438 3.107 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001267965857 1083663140 /nfs/dbraw/zinc/66/31/40/1083663140.db2.gz UIQWHGMWTLPTLA-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001183279390 1083907153 /nfs/dbraw/zinc/90/71/53/1083907153.db2.gz BNJUPMLMQWUEQJ-HOJAQTOUSA-N 2 1 318.505 3.405 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255134 1083911073 /nfs/dbraw/zinc/91/10/73/1083911073.db2.gz KGKAMSRDBKBIOA-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CCN1c1cc[nH+]cc1 ZINC001183533377 1083973441 /nfs/dbraw/zinc/97/34/41/1083973441.db2.gz KQQPQRGDJKYMKV-MRXNPFEDSA-N 2 1 307.441 3.281 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCC(=O)OC)Cc1ccco1 ZINC001167824323 1084113061 /nfs/dbraw/zinc/11/30/61/1084113061.db2.gz DKYVQTVUPAGJMY-INIZCTEOSA-N 2 1 324.465 3.155 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001167825201 1084115754 /nfs/dbraw/zinc/11/57/54/1084115754.db2.gz HIWVZQZEFLILFU-UYAOXDASSA-N 2 1 317.521 3.486 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001167825200 1084116251 /nfs/dbraw/zinc/11/62/51/1084116251.db2.gz HIWVZQZEFLILFU-QUCCMNQESA-N 2 1 317.521 3.486 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001167826812 1084120483 /nfs/dbraw/zinc/12/04/83/1084120483.db2.gz YZBLAAKPYUBSMG-YZGWKJHDSA-N 2 1 318.505 3.175 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)CC1 ZINC001184374765 1084166807 /nfs/dbraw/zinc/16/68/07/1084166807.db2.gz QHJDXWSIDAGEQS-QGZVFWFLSA-N 2 1 318.509 3.159 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCc4cccc(Cl)c4C3)[C@@H]2C1 ZINC001184387811 1084168993 /nfs/dbraw/zinc/16/89/93/1084168993.db2.gz NQOUOCAYWSJPIR-KMCQBPLKSA-N 2 1 304.865 3.127 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C)o2)C1 ZINC001167842418 1084188517 /nfs/dbraw/zinc/18/85/17/1084188517.db2.gz XCCDLBJHJJYWNV-GDBMZVCRSA-N 2 1 308.470 3.068 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](c2nnc(C)o2)C1 ZINC001167842419 1084188655 /nfs/dbraw/zinc/18/86/55/1084188655.db2.gz XCCDLBJHJJYWNV-GOEBONIOSA-N 2 1 308.470 3.068 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303175 1084226094 /nfs/dbraw/zinc/22/60/94/1084226094.db2.gz AJXFVYUHGDMKEI-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303175 1084226104 /nfs/dbraw/zinc/22/61/04/1084226104.db2.gz AJXFVYUHGDMKEI-ZYHUDNBSSA-N 2 1 320.330 3.141 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205306597 1084249234 /nfs/dbraw/zinc/24/92/34/1084249234.db2.gz YCPPCROROCGWCN-GXTWGEPZSA-N 2 1 316.367 3.310 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccccc1C(F)F)CC2 ZINC001139799059 1084503796 /nfs/dbraw/zinc/50/37/96/1084503796.db2.gz YYHYKYWLEKTRFU-UHFFFAOYSA-N 2 1 323.387 3.254 20 0 DGADMP COC(=O)CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958539 1085617411 /nfs/dbraw/zinc/61/74/11/1085617411.db2.gz HCXYWYVCGZXHOE-AYHJJNSGSA-N 2 1 322.493 3.105 20 0 DGADMP CCCC[N@@H+](CC)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167961744 1085720336 /nfs/dbraw/zinc/72/03/36/1085720336.db2.gz PBONTVPFNBNLOX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CCCC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961744 1085720344 /nfs/dbraw/zinc/72/03/44/1085720344.db2.gz PBONTVPFNBNLOX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CCCC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961744 1085720349 /nfs/dbraw/zinc/72/03/49/1085720349.db2.gz PBONTVPFNBNLOX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP c1nc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2o1 ZINC001167974386 1085914757 /nfs/dbraw/zinc/91/47/57/1085914757.db2.gz YVBMWXGZTFNWAP-ALOPSCKCSA-N 2 1 311.429 3.323 20 0 DGADMP F[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1(F)F ZINC001167983338 1085937749 /nfs/dbraw/zinc/93/77/49/1085937749.db2.gz GBEIGGWCGXDOOC-QXULXFAOSA-N 2 1 316.411 3.461 20 0 DGADMP F[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1(F)F ZINC001167983338 1085937760 /nfs/dbraw/zinc/93/77/60/1085937760.db2.gz GBEIGGWCGXDOOC-QXULXFAOSA-N 2 1 316.411 3.461 20 0 DGADMP CN(Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984726 1085963953 /nfs/dbraw/zinc/96/39/53/1085963953.db2.gz QAJKUIQANXULBS-JWTNVVGKSA-N 2 1 300.446 3.229 20 0 DGADMP C[N@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984726 1085963964 /nfs/dbraw/zinc/96/39/64/1085963964.db2.gz QAJKUIQANXULBS-JWTNVVGKSA-N 2 1 300.446 3.229 20 0 DGADMP C[N@@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984726 1085963977 /nfs/dbraw/zinc/96/39/77/1085963977.db2.gz QAJKUIQANXULBS-JWTNVVGKSA-N 2 1 300.446 3.229 20 0 DGADMP C[NH+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984726 1085963990 /nfs/dbraw/zinc/96/39/90/1085963990.db2.gz QAJKUIQANXULBS-JWTNVVGKSA-N 2 1 300.446 3.229 20 0 DGADMP C[NH+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984726 1085964001 /nfs/dbraw/zinc/96/40/01/1085964001.db2.gz QAJKUIQANXULBS-JWTNVVGKSA-N 2 1 300.446 3.229 20 0 DGADMP Brc1cccc2c1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000713193980 1085985743 /nfs/dbraw/zinc/98/57/43/1085985743.db2.gz OKILRYBNHVXAHW-LBPRGKRZSA-N 2 1 309.251 3.154 20 0 DGADMP Brc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000713193980 1085985747 /nfs/dbraw/zinc/98/57/47/1085985747.db2.gz OKILRYBNHVXAHW-LBPRGKRZSA-N 2 1 309.251 3.154 20 0 DGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC3(CCCOC3)CC1)C2 ZINC001168004212 1086130666 /nfs/dbraw/zinc/13/06/66/1086130666.db2.gz RRCCGAAUICSACI-DFNIBXOVSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025987 1086434109 /nfs/dbraw/zinc/43/41/09/1086434109.db2.gz KYSUQUPKGHFKJO-HPUSYDDDSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168031564 1086462828 /nfs/dbraw/zinc/46/28/28/1086462828.db2.gz ZUIOQEKUVHDEIA-FPAYPSAMSA-N 3 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H](N2CCOC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039172 1086497151 /nfs/dbraw/zinc/49/71/51/1086497151.db2.gz BQFNHSGWEMKZFF-ZMMAXQRCSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCOCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039347 1086498307 /nfs/dbraw/zinc/49/83/07/1086498307.db2.gz DNCWXDZFHDCMBB-IZZQQSIFSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039347 1086498310 /nfs/dbraw/zinc/49/83/10/1086498310.db2.gz DNCWXDZFHDCMBB-IZZQQSIFSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039347 1086498313 /nfs/dbraw/zinc/49/83/13/1086498313.db2.gz DNCWXDZFHDCMBB-IZZQQSIFSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039347 1086498319 /nfs/dbraw/zinc/49/83/19/1086498319.db2.gz DNCWXDZFHDCMBB-IZZQQSIFSA-N 2 1 302.462 3.150 20 0 DGADMP CO[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039904 1086499254 /nfs/dbraw/zinc/49/92/54/1086499254.db2.gz IMGPCKSJKAAEMV-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP CO[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039904 1086499259 /nfs/dbraw/zinc/49/92/59/1086499259.db2.gz IMGPCKSJKAAEMV-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP CO[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039904 1086499265 /nfs/dbraw/zinc/49/92/65/1086499265.db2.gz IMGPCKSJKAAEMV-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1CC([N@H+]2C[C@H](O)CC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040035 1086500122 /nfs/dbraw/zinc/50/01/22/1086500122.db2.gz JXLLLBGMBZFPJX-WOCWXWTJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@@H+]2C[C@H](O)CC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040035 1086500129 /nfs/dbraw/zinc/50/01/29/1086500129.db2.gz JXLLLBGMBZFPJX-WOCWXWTJSA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H]2CO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040515 1086502262 /nfs/dbraw/zinc/50/22/62/1086502262.db2.gz NWDRMILRNIPQMM-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H]2CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040515 1086502270 /nfs/dbraw/zinc/50/22/70/1086502270.db2.gz NWDRMILRNIPQMM-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040515 1086502274 /nfs/dbraw/zinc/50/22/74/1086502274.db2.gz NWDRMILRNIPQMM-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040515 1086502279 /nfs/dbraw/zinc/50/22/79/1086502279.db2.gz NWDRMILRNIPQMM-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1O ZINC001168040251 1086503068 /nfs/dbraw/zinc/50/30/68/1086503068.db2.gz LRKSOXSSMKNKRK-VIPLHTEESA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1O ZINC001168040251 1086503075 /nfs/dbraw/zinc/50/30/75/1086503075.db2.gz LRKSOXSSMKNKRK-VIPLHTEESA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@@](C)(CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041349 1086507817 /nfs/dbraw/zinc/50/78/17/1086507817.db2.gz RYPRZUFUKRJCCD-MBOZVWFJSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@@](C)(CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041349 1086507823 /nfs/dbraw/zinc/50/78/23/1086507823.db2.gz RYPRZUFUKRJCCD-MBOZVWFJSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1CC([N@H+]2C[C@@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047027 1086533089 /nfs/dbraw/zinc/53/30/89/1086533089.db2.gz QAWAEAJNFGIZIW-PBWTXFEYSA-N 2 1 314.473 3.006 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1)[NH+]1CCCC1 ZINC001307482413 1086565936 /nfs/dbraw/zinc/56/59/36/1086565936.db2.gz FNSLHXFOZAUUIE-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1)[NH+]1CCCC1 ZINC001307482414 1086566242 /nfs/dbraw/zinc/56/62/42/1086566242.db2.gz FNSLHXFOZAUUIE-ROUUACIJSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168055385 1086620919 /nfs/dbraw/zinc/62/09/19/1086620919.db2.gz VNJAGHONTJYHEY-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055385 1086620928 /nfs/dbraw/zinc/62/09/28/1086620928.db2.gz VNJAGHONTJYHEY-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCOC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055385 1086620931 /nfs/dbraw/zinc/62/09/31/1086620931.db2.gz VNJAGHONTJYHEY-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCOC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055385 1086620938 /nfs/dbraw/zinc/62/09/38/1086620938.db2.gz VNJAGHONTJYHEY-UKBAYJJMSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056880 1086627170 /nfs/dbraw/zinc/62/71/70/1086627170.db2.gz JLHFVDLSFUZTNU-MBOZVWFJSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056880 1086627176 /nfs/dbraw/zinc/62/71/76/1086627176.db2.gz JLHFVDLSFUZTNU-MBOZVWFJSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1CC([NH+]2CC3(CSC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056923 1086627530 /nfs/dbraw/zinc/62/75/30/1086627530.db2.gz KBSPWWRLNYCSQI-HZPDHXFCSA-N 2 1 316.514 3.477 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168100665 1086875485 /nfs/dbraw/zinc/87/54/85/1086875485.db2.gz DCXCVMXSUHVKMW-FUHWJXTLSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168100667 1086876212 /nfs/dbraw/zinc/87/62/12/1086876212.db2.gz DCXCVMXSUHVKMW-SJLPKXTDSA-N 2 1 302.462 3.198 20 0 DGADMP Clc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)nc1 ZINC001204691440 1086929752 /nfs/dbraw/zinc/92/97/52/1086929752.db2.gz FDWDNAGQFFZUBP-UHFFFAOYSA-N 2 1 301.821 3.197 20 0 DGADMP Clc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)nc1 ZINC001204691440 1086929757 /nfs/dbraw/zinc/92/97/57/1086929757.db2.gz FDWDNAGQFFZUBP-UHFFFAOYSA-N 2 1 301.821 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001168121956 1086945323 /nfs/dbraw/zinc/94/53/23/1086945323.db2.gz ONUZFDKSDQSCIS-AEFFLSMTSA-N 2 1 318.461 3.135 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168251247 1087073654 /nfs/dbraw/zinc/07/36/54/1087073654.db2.gz GJRHZYHXSTVUEY-KZNAEPCWSA-N 2 1 302.462 3.143 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168306121 1087288802 /nfs/dbraw/zinc/28/88/02/1087288802.db2.gz QUCROLUHLOFGFG-HFFNAHSWSA-N 3 1 309.542 3.477 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001168323063 1087293631 /nfs/dbraw/zinc/29/36/31/1087293631.db2.gz OVFSTMZODOAHDJ-LEOMRAHMSA-N 2 1 306.425 3.152 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001168323231 1087293696 /nfs/dbraw/zinc/29/36/96/1087293696.db2.gz VXOKZFBCHGSRCC-GPANFISMSA-N 2 1 324.415 3.291 20 0 DGADMP CCCc1noc([C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168328200 1087295246 /nfs/dbraw/zinc/29/52/46/1087295246.db2.gz ZIBFKOBLUSNTBC-QQFBHYJXSA-N 2 1 320.481 3.074 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2Cc3cc(Br)cnc3C2)CC1 ZINC001168327896 1087295353 /nfs/dbraw/zinc/29/53/53/1087295353.db2.gz SJWYXMNYGZURDE-UHFFFAOYSA-N 2 1 324.266 3.033 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2Cc3cc(Br)cnc3C2)CC1 ZINC001168327896 1087295362 /nfs/dbraw/zinc/29/53/62/1087295362.db2.gz SJWYXMNYGZURDE-UHFFFAOYSA-N 2 1 324.266 3.033 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)c(OC)c1 ZINC001168327384 1087295548 /nfs/dbraw/zinc/29/55/48/1087295548.db2.gz LJHYIFGPZABMID-UHFFFAOYSA-N 2 1 306.450 3.008 20 0 DGADMP C[C@H]1CN(C2CCC([NH+](C)C)CC2)CC[N@H+]1C1CCCCC1 ZINC001168329900 1087295961 /nfs/dbraw/zinc/29/59/61/1087295961.db2.gz KHXGNYYJFAVULI-AOCRQIFASA-N 2 1 307.526 3.198 20 0 DGADMP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCN1C1CCCCC1 ZINC001168329900 1087295964 /nfs/dbraw/zinc/29/59/64/1087295964.db2.gz KHXGNYYJFAVULI-AOCRQIFASA-N 2 1 307.526 3.198 20 0 DGADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCN1C1CCCCC1 ZINC001168329900 1087295969 /nfs/dbraw/zinc/29/59/69/1087295969.db2.gz KHXGNYYJFAVULI-AOCRQIFASA-N 2 1 307.526 3.198 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001168329172 1087296584 /nfs/dbraw/zinc/29/65/84/1087296584.db2.gz OGBAXIJSONPYQH-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001168329172 1087296590 /nfs/dbraw/zinc/29/65/90/1087296590.db2.gz OGBAXIJSONPYQH-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP COc1cc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168368593 1087428848 /nfs/dbraw/zinc/42/88/48/1087428848.db2.gz MCDODHUSRWGYQM-LJQANCHMSA-N 2 1 315.461 3.005 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C1CC[NH+](CC2CC2)CC1 ZINC001168387629 1087548023 /nfs/dbraw/zinc/54/80/23/1087548023.db2.gz MSKCAICXWQNAJC-VQTJNVASSA-N 2 1 319.537 3.200 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168389413 1087548495 /nfs/dbraw/zinc/54/84/95/1087548495.db2.gz OYTAFVPRUPUDDE-INIZCTEOSA-N 2 1 316.489 3.432 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395048 1087551608 /nfs/dbraw/zinc/55/16/08/1087551608.db2.gz KNHPAWLSOPOSLV-LJQANCHMSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395048 1087551611 /nfs/dbraw/zinc/55/16/11/1087551611.db2.gz KNHPAWLSOPOSLV-LJQANCHMSA-N 2 1 318.436 3.153 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395414 1087552270 /nfs/dbraw/zinc/55/22/70/1087552270.db2.gz ZAJUOFXCXJYLBI-GOSISDBHSA-N 2 1 314.473 3.359 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001232161714 1087584323 /nfs/dbraw/zinc/58/43/23/1087584323.db2.gz SCMWGRUWFWBKJB-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(N(C)C)cc[nH+]1 ZINC001158524570 1087895137 /nfs/dbraw/zinc/89/51/37/1087895137.db2.gz YIBKZIZHTNFLSG-IAGOWNOFSA-N 2 1 324.472 3.247 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109196 1087927930 /nfs/dbraw/zinc/92/79/30/1087927930.db2.gz CEGGQCNEGMNVHP-ZDUSSCGKSA-N 2 1 302.340 3.027 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109196 1087927945 /nfs/dbraw/zinc/92/79/45/1087927945.db2.gz CEGGQCNEGMNVHP-ZDUSSCGKSA-N 2 1 302.340 3.027 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(NCC[C@H]2CCC[NH2+]2)nc1 ZINC001158632204 1087951014 /nfs/dbraw/zinc/95/10/14/1087951014.db2.gz PFFMHUWJXNKYFW-SJORKVTESA-N 2 1 302.466 3.183 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@](C)(C[NH3+])C2)nc1 ZINC001158683801 1087977568 /nfs/dbraw/zinc/97/75/68/1087977568.db2.gz JKICRAZAURJCKP-MJGOQNOKSA-N 2 1 316.493 3.194 20 0 DGADMP CCc1ccc(C)[nH+]c1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159106440 1088182273 /nfs/dbraw/zinc/18/22/73/1088182273.db2.gz BUXUQYZURILNQE-UHFFFAOYSA-N 2 1 310.445 3.101 20 0 DGADMP c1cc2cc(Nc3ccc(O[C@@H]4CC[NH2+]C4)nc3)ccc2c[nH+]1 ZINC001159334303 1088302469 /nfs/dbraw/zinc/30/24/69/1088302469.db2.gz SIEWKKSSUREUHL-QGZVFWFLSA-N 2 1 306.369 3.114 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc2cc(Br)ccc2s1 ZINC001235435340 1088341456 /nfs/dbraw/zinc/34/14/56/1088341456.db2.gz KMIDMOQBZQKSGZ-UHFFFAOYSA-N 2 1 313.264 3.444 20 0 DGADMP c1ccc(C[N@H+]2CCC=C(Nc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001159471453 1088360341 /nfs/dbraw/zinc/36/03/41/1088360341.db2.gz YBIORRAMFOQBGN-UHFFFAOYSA-N 2 1 305.425 3.492 20 0 DGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854431 1088386876 /nfs/dbraw/zinc/38/68/76/1088386876.db2.gz ALFCKMBUZKYUHC-XZVRFQMRSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854431 1088386893 /nfs/dbraw/zinc/38/68/93/1088386893.db2.gz ALFCKMBUZKYUHC-XZVRFQMRSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854431 1088386905 /nfs/dbraw/zinc/38/69/05/1088386905.db2.gz ALFCKMBUZKYUHC-XZVRFQMRSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCC[C@@H](C)[NH3+])c12 ZINC001159779197 1088479471 /nfs/dbraw/zinc/47/94/71/1088479471.db2.gz WFHPBSNYRHKDNV-CYBMUJFWSA-N 2 1 323.444 3.246 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001155034489 1088908440 /nfs/dbraw/zinc/90/84/40/1088908440.db2.gz WVNUTDQRZQCORN-ZIAGYGMSSA-N 2 1 301.438 3.060 20 0 DGADMP COc1ccc2c[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)cc2c1 ZINC001155118294 1088959717 /nfs/dbraw/zinc/95/97/17/1088959717.db2.gz LCGSAZQSLYTKRQ-KRWDZBQOSA-N 2 1 303.381 3.137 20 0 DGADMP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001155258603 1089031012 /nfs/dbraw/zinc/03/10/12/1089031012.db2.gz QUMMWOYATKHNQQ-ZDUSSCGKSA-N 2 1 321.428 3.034 20 0 DGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036795 1089086182 /nfs/dbraw/zinc/08/61/82/1089086182.db2.gz OHPQHRLALMDNAD-UHFFFAOYSA-N 2 1 323.525 3.047 20 0 DGADMP c1cc2n(c1)C[C@H](CCNc1[nH+]ccc3ccccc31)C[NH2+]C2 ZINC001155454945 1089117760 /nfs/dbraw/zinc/11/77/60/1089117760.db2.gz UPZZAVDLYLZKPD-OAHLLOKOSA-N 2 1 306.413 3.258 20 0 DGADMP COc1cccc(C[N@@H+]2CC[C@H](Nc3cc(C)cc(C)[nH+]3)C2)c1 ZINC001161187795 1089146600 /nfs/dbraw/zinc/14/66/00/1089146600.db2.gz WVLTVECHMAADAR-KRWDZBQOSA-N 2 1 311.429 3.393 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](Nc3cc(C)cc(C)[nH+]3)C2)c1 ZINC001161187795 1089146613 /nfs/dbraw/zinc/14/66/13/1089146613.db2.gz WVLTVECHMAADAR-KRWDZBQOSA-N 2 1 311.429 3.393 20 0 DGADMP Cc1c[nH+]c(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1N ZINC001156341422 1089483869 /nfs/dbraw/zinc/48/38/69/1089483869.db2.gz HHSSUPYHAPQVKY-KXBFYZLASA-N 2 1 324.472 3.319 20 0 DGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465592 1089531694 /nfs/dbraw/zinc/53/16/94/1089531694.db2.gz CAVUSKRJCURSQR-QGZVFWFLSA-N 2 1 323.525 3.045 20 0 DGADMP CC(F)(F)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001162233962 1089623379 /nfs/dbraw/zinc/62/33/79/1089623379.db2.gz KQRVDVUIAPNPFJ-CYBMUJFWSA-N 2 1 308.376 3.418 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001484820370 1089700593 /nfs/dbraw/zinc/70/05/93/1089700593.db2.gz PQXDKVIWKXSLDC-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001162459045 1089744095 /nfs/dbraw/zinc/74/40/95/1089744095.db2.gz BOGWOYFERUFBLL-SOLBZPMBSA-N 2 1 316.493 3.286 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC(=N)SCC[NH3+])nc1 ZINC001157136926 1089837801 /nfs/dbraw/zinc/83/78/01/1089837801.db2.gz QHTXZXAOLLOPHJ-AWEZNQCLSA-N 2 1 321.494 3.057 20 0 DGADMP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001162777974 1089949296 /nfs/dbraw/zinc/94/92/96/1089949296.db2.gz GDAPMBLFGGSUKQ-HOCLYGCPSA-N 2 1 320.440 3.464 20 0 DGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc(C[NH+]3CCCC3)cn2)[C@H](C)C1 ZINC001163366194 1090167314 /nfs/dbraw/zinc/16/73/14/1090167314.db2.gz SKRZDIDCNBUPBH-AEFFLSMTSA-N 2 1 316.493 3.208 20 0 DGADMP CCCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001485476292 1090182518 /nfs/dbraw/zinc/18/25/18/1090182518.db2.gz QRJHWYQVWMVAOL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485476292 1090182522 /nfs/dbraw/zinc/18/25/22/1090182522.db2.gz QRJHWYQVWMVAOL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001485476292 1090182526 /nfs/dbraw/zinc/18/25/26/1090182526.db2.gz QRJHWYQVWMVAOL-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(C)CCC[NH+](C)C)nc1 ZINC001163600992 1090217922 /nfs/dbraw/zinc/21/79/22/1090217922.db2.gz XGASGSTXBIYTQN-KRWDZBQOSA-N 2 1 304.482 3.016 20 0 DGADMP Cc1c[nH+]c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c2ccccc12 ZINC001163646494 1090222966 /nfs/dbraw/zinc/22/29/66/1090222966.db2.gz REDSNZLFVLHZHM-PKOBYXMFSA-N 2 1 311.429 3.256 20 0 DGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+](C)C[C@H]2c2ccccc2)[nH+]1 ZINC001163672234 1090228866 /nfs/dbraw/zinc/22/88/66/1090228866.db2.gz LEHYLSNMXIABNG-SFHVURJKSA-N 2 1 306.413 3.364 20 0 DGADMP c1ccn(CCNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)c1 ZINC001164452226 1090424903 /nfs/dbraw/zinc/42/49/03/1090424903.db2.gz AQCIULUYDMUWBQ-QGZVFWFLSA-N 2 1 323.444 3.265 20 0 DGADMP [NH3+]Cc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164491458 1090432781 /nfs/dbraw/zinc/43/27/81/1090432781.db2.gz DSRFNLPSKVALMS-SESVDKBCSA-N 2 1 321.468 3.468 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C[C@H]2CC[NH2+]C2)nc1 ZINC001165126288 1090468094 /nfs/dbraw/zinc/46/80/94/1090468094.db2.gz YGNIGPNYNOEUAJ-FUHWJXTLSA-N 2 1 316.493 3.064 20 0 DGADMP Cc1ccc2c(C)cc(N3CCC(F)(C[NH3+])CC3)[nH+]c2c1C ZINC001165263920 1090492080 /nfs/dbraw/zinc/49/20/80/1090492080.db2.gz MCZFXGRIMWTECM-UHFFFAOYSA-N 2 1 301.409 3.427 20 0 DGADMP Cc1c[nH+]c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc1C ZINC001165308054 1090500184 /nfs/dbraw/zinc/50/01/84/1090500184.db2.gz VHJRGKIFYXGETJ-CYBMUJFWSA-N 2 1 313.367 3.352 20 0 DGADMP CC(C)n1ccc2c1nc[nH+]c2N1CCCCC12CC[NH2+]CC2 ZINC001165339285 1090508764 /nfs/dbraw/zinc/50/87/64/1090508764.db2.gz UOOVJNVFKBPLGY-UHFFFAOYSA-N 2 1 313.449 3.125 20 0 DGADMP COCC(C)(C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001166003123 1090569307 /nfs/dbraw/zinc/56/93/07/1090569307.db2.gz WNNNFZIQJSHXRI-HNNXBMFYSA-N 2 1 316.449 3.188 20 0 DGADMP CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168615917 1090618153 /nfs/dbraw/zinc/61/81/53/1090618153.db2.gz WKWOYILUPNZDJB-UHFFFAOYSA-N 2 1 313.530 3.175 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168667957 1090688910 /nfs/dbraw/zinc/68/89/10/1090688910.db2.gz BKPMLFAHGORONQ-HKUYNNGSSA-N 2 1 320.477 3.189 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185623 1090782142 /nfs/dbraw/zinc/78/21/42/1090782142.db2.gz CBAJPIBPHVRZJD-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001203735938 1090792781 /nfs/dbraw/zinc/79/27/81/1090792781.db2.gz IKBIROLKMMKJMX-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001203735938 1090792786 /nfs/dbraw/zinc/79/27/86/1090792786.db2.gz IKBIROLKMMKJMX-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1cccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001203895271 1090830894 /nfs/dbraw/zinc/83/08/94/1090830894.db2.gz TYURWAORTJQHML-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP Cc1cccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001203895271 1090830903 /nfs/dbraw/zinc/83/09/03/1090830903.db2.gz TYURWAORTJQHML-UHFFFAOYSA-N 2 1 302.462 3.070 20 0 DGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc2ccccc2c1 ZINC001204000049 1090864363 /nfs/dbraw/zinc/86/43/63/1090864363.db2.gz JMEPPHWULLCOGZ-LEWJYISDSA-N 2 1 323.484 3.050 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccoc3)CC2)c2ccccc2[nH+]1 ZINC001204242400 1090932772 /nfs/dbraw/zinc/93/27/72/1090932772.db2.gz TZDVPZUGLBLXAC-UHFFFAOYSA-N 2 1 307.397 3.458 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC001204263930 1090936333 /nfs/dbraw/zinc/93/63/33/1090936333.db2.gz PNMJBABPQYIJPO-GOSISDBHSA-N 2 1 308.441 3.341 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC001204269580 1090937019 /nfs/dbraw/zinc/93/70/19/1090937019.db2.gz GBMZDLOEZQFAQE-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](CC2CC2)C2CC2)cc1 ZINC001204271569 1090937225 /nfs/dbraw/zinc/93/72/25/1090937225.db2.gz NXFSXNTVMSAHME-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CCN(CC[NH+](C)C)CC2 ZINC001276463101 1090964993 /nfs/dbraw/zinc/96/49/93/1090964993.db2.gz AHOAEPWGYANSRB-SFHVURJKSA-N 2 1 309.542 3.162 20 0 DGADMP c1csc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001204548335 1090997251 /nfs/dbraw/zinc/99/72/51/1090997251.db2.gz IAAUKLPGLKFMQD-UHFFFAOYSA-N 2 1 313.470 3.241 20 0 DGADMP Cc1ccc(OCc2ccccc2)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC001204645978 1091011519 /nfs/dbraw/zinc/01/15/19/1091011519.db2.gz DMJBRPUYDAAEGG-UHFFFAOYSA-N 2 1 310.441 3.497 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC001204685794 1091016827 /nfs/dbraw/zinc/01/68/27/1091016827.db2.gz KHSHPGHHCBMQDZ-UHFFFAOYSA-N 2 1 318.461 3.170 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC001204685794 1091016836 /nfs/dbraw/zinc/01/68/36/1091016836.db2.gz KHSHPGHHCBMQDZ-UHFFFAOYSA-N 2 1 318.461 3.170 20 0 DGADMP Clc1ccc2n[nH]c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2c1 ZINC001204735583 1091024891 /nfs/dbraw/zinc/02/48/91/1091024891.db2.gz YSZVSHWNFKRIAB-UHFFFAOYSA-N 2 1 318.852 3.182 20 0 DGADMP Clc1ccc2[nH]nc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)c2c1 ZINC001204735583 1091024897 /nfs/dbraw/zinc/02/48/97/1091024897.db2.gz YSZVSHWNFKRIAB-UHFFFAOYSA-N 2 1 318.852 3.182 20 0 DGADMP Clc1ccc2[nH]nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2c1 ZINC001204735583 1091024903 /nfs/dbraw/zinc/02/49/03/1091024903.db2.gz YSZVSHWNFKRIAB-UHFFFAOYSA-N 2 1 318.852 3.182 20 0 DGADMP CCc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(CC)c1O ZINC001204735543 1091025789 /nfs/dbraw/zinc/02/57/89/1091025789.db2.gz XEDVRTIAAUBKNF-UHFFFAOYSA-N 2 1 316.489 3.483 20 0 DGADMP c1ccn(-c2ccccc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742207 1091027436 /nfs/dbraw/zinc/02/74/36/1091027436.db2.gz KHDLNQAXHIKMEJ-UHFFFAOYSA-N 2 1 309.457 3.443 20 0 DGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204755257 1091030730 /nfs/dbraw/zinc/03/07/30/1091030730.db2.gz DZLIQBUQPICSBT-CQSZACIVSA-N 2 1 315.461 3.015 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc3oc4ccccc4c3c2)CCO1 ZINC001204756622 1091031823 /nfs/dbraw/zinc/03/18/23/1091031823.db2.gz QNOAZOQXMJTELC-OAHLLOKOSA-N 2 1 310.397 3.136 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)CCO1 ZINC001204756622 1091031828 /nfs/dbraw/zinc/03/18/28/1091031828.db2.gz QNOAZOQXMJTELC-OAHLLOKOSA-N 2 1 310.397 3.136 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168741833 1091040129 /nfs/dbraw/zinc/04/01/29/1091040129.db2.gz BBHPALITDCCICT-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168741833 1091040135 /nfs/dbraw/zinc/04/01/35/1091040135.db2.gz BBHPALITDCCICT-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168741833 1091040142 /nfs/dbraw/zinc/04/01/42/1091040142.db2.gz BBHPALITDCCICT-XHSDSOJGSA-N 2 1 304.865 3.081 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC001204851234 1091048025 /nfs/dbraw/zinc/04/80/25/1091048025.db2.gz XRWDHHJWYOAROL-GJZGRUSLSA-N 2 1 310.388 3.062 20 0 DGADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276477630 1091060132 /nfs/dbraw/zinc/06/01/32/1091060132.db2.gz AIGCORIWTVCZTK-WOQGQJNTSA-N 2 1 307.526 3.223 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)ccc1Oc1ccccc1 ZINC001204919145 1091063044 /nfs/dbraw/zinc/06/30/44/1091063044.db2.gz WABPIGAXKPHWMB-LDLYASANSA-N 2 1 308.425 3.424 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCCCCCCC(=O)OC)C1 ZINC001205001718 1091080253 /nfs/dbraw/zinc/08/02/53/1091080253.db2.gz XIVXNNWTBYFJKJ-KRWDZBQOSA-N 2 1 312.498 3.212 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001205015724 1091084492 /nfs/dbraw/zinc/08/44/92/1091084492.db2.gz DLZANYHDBPYDEW-KRWDZBQOSA-N 2 1 320.477 3.190 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3cc(OC)ccc3s2)C1 ZINC001205017895 1091085167 /nfs/dbraw/zinc/08/51/67/1091085167.db2.gz PPIXMJUPEIRGGA-ZDUSSCGKSA-N 2 1 304.459 3.341 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205116721 1091106502 /nfs/dbraw/zinc/10/65/02/1091106502.db2.gz HDWVEYXQUKTLQS-INIZCTEOSA-N 2 1 303.450 3.106 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205116721 1091106505 /nfs/dbraw/zinc/10/65/05/1091106505.db2.gz HDWVEYXQUKTLQS-INIZCTEOSA-N 2 1 303.450 3.106 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205136115 1091110038 /nfs/dbraw/zinc/11/00/38/1091110038.db2.gz PBKXGCUACSALHB-HNAYVOBHSA-N 2 1 310.441 3.389 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C[C@H]1C[NH3+] ZINC001205140211 1091110972 /nfs/dbraw/zinc/11/09/72/1091110972.db2.gz DHXDMLDISGQMCC-WCQYABFASA-N 2 1 321.877 3.490 20 0 DGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205212302 1091132091 /nfs/dbraw/zinc/13/20/91/1091132091.db2.gz YIEPLCPBIJABLF-XLIONFOSSA-N 2 1 318.505 3.164 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@](O)(C[NH3+])CC1)c1cccc2ccccc21 ZINC001205208146 1091132717 /nfs/dbraw/zinc/13/27/17/1091132717.db2.gz BCMYLLUJVYJMEZ-UZLBHIALSA-N 2 1 312.457 3.119 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2nccnc2c1 ZINC001138304567 1091135023 /nfs/dbraw/zinc/13/50/23/1091135023.db2.gz OBVUOQBMIIGOII-SFHVURJKSA-N 2 1 324.472 3.470 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2nccnc12 ZINC001138306457 1091135102 /nfs/dbraw/zinc/13/51/02/1091135102.db2.gz UGYBYPZHSWHRCF-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2nccnc12 ZINC001138306457 1091135106 /nfs/dbraw/zinc/13/51/06/1091135106.db2.gz UGYBYPZHSWHRCF-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2nccnc12 ZINC001138306457 1091135110 /nfs/dbraw/zinc/13/51/10/1091135110.db2.gz UGYBYPZHSWHRCF-ROUUACIJSA-N 2 1 324.472 3.469 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205280844 1091162366 /nfs/dbraw/zinc/16/23/66/1091162366.db2.gz JZHMYEQXFARZSE-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205280844 1091162370 /nfs/dbraw/zinc/16/23/70/1091162370.db2.gz JZHMYEQXFARZSE-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205280860 1091162578 /nfs/dbraw/zinc/16/25/78/1091162578.db2.gz KKAKUFAMAWMVPG-LJQANCHMSA-N 2 1 317.477 3.496 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205280860 1091162580 /nfs/dbraw/zinc/16/25/80/1091162580.db2.gz KKAKUFAMAWMVPG-LJQANCHMSA-N 2 1 317.477 3.496 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001205288861 1091165903 /nfs/dbraw/zinc/16/59/03/1091165903.db2.gz PDIGJJJNCQJRCV-QGZVFWFLSA-N 2 1 318.852 3.229 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303504 1091172781 /nfs/dbraw/zinc/17/27/81/1091172781.db2.gz GPSVBJIFXXFVJZ-CMPLNLGQSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205303504 1091172783 /nfs/dbraw/zinc/17/27/83/1091172783.db2.gz GPSVBJIFXXFVJZ-CMPLNLGQSA-N 2 1 304.331 3.261 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303384 1091173348 /nfs/dbraw/zinc/17/33/48/1091173348.db2.gz DLZOMTFNJXHPPI-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303384 1091173360 /nfs/dbraw/zinc/17/33/60/1091173360.db2.gz DLZOMTFNJXHPPI-CMPLNLGQSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC001205304013 1091174649 /nfs/dbraw/zinc/17/46/49/1091174649.db2.gz MUTVELXPEVQFKZ-GOEBONIOSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304310 1091175062 /nfs/dbraw/zinc/17/50/62/1091175062.db2.gz NPMMSQJYFOXQGH-RDJZCZTQSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304310 1091175071 /nfs/dbraw/zinc/17/50/71/1091175071.db2.gz NPMMSQJYFOXQGH-RDJZCZTQSA-N 2 1 311.429 3.291 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306562 1091176327 /nfs/dbraw/zinc/17/63/27/1091176327.db2.gz XLTDFPCGXRATLV-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306562 1091176339 /nfs/dbraw/zinc/17/63/39/1091176339.db2.gz XLTDFPCGXRATLV-JSGCOSHPSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)C[C@H]1C[NH3+] ZINC001205314391 1091179784 /nfs/dbraw/zinc/17/97/84/1091179784.db2.gz BKUMLSIOEBZECL-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)C[C@H]1C[NH3+] ZINC001205314391 1091179787 /nfs/dbraw/zinc/17/97/87/1091179787.db2.gz BKUMLSIOEBZECL-GXTWGEPZSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C[C@@H]1C[NH3+] ZINC001205316895 1091181837 /nfs/dbraw/zinc/18/18/37/1091181837.db2.gz MAROMHXLMLMQOD-NEPJUHHUSA-N 2 1 319.836 3.011 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC001205318975 1091184196 /nfs/dbraw/zinc/18/41/96/1091184196.db2.gz XKCMHPAWDJMSPG-KBPBESRZSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC001205318975 1091184198 /nfs/dbraw/zinc/18/41/98/1091184198.db2.gz XKCMHPAWDJMSPG-KBPBESRZSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001205326240 1091187197 /nfs/dbraw/zinc/18/71/97/1091187197.db2.gz WQDOHDFMXNZSMK-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001205326240 1091187198 /nfs/dbraw/zinc/18/71/98/1091187198.db2.gz WQDOHDFMXNZSMK-INIZCTEOSA-N 2 1 320.440 3.209 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001138543622 1091221778 /nfs/dbraw/zinc/22/17/78/1091221778.db2.gz RRUUWYLRTJRHNF-HKUYNNGSSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001138543622 1091221787 /nfs/dbraw/zinc/22/17/87/1091221787.db2.gz RRUUWYLRTJRHNF-HKUYNNGSSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC001138542318 1091223203 /nfs/dbraw/zinc/22/32/03/1091223203.db2.gz CQFJEIZBQUKCMC-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC001138542318 1091223212 /nfs/dbraw/zinc/22/32/12/1091223212.db2.gz CQFJEIZBQUKCMC-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC001138547142 1091225315 /nfs/dbraw/zinc/22/53/15/1091225315.db2.gz FXKANWGQOLNHLQ-IBGZPJMESA-N 2 1 319.412 3.308 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC001138547142 1091225325 /nfs/dbraw/zinc/22/53/25/1091225325.db2.gz FXKANWGQOLNHLQ-IBGZPJMESA-N 2 1 319.412 3.308 20 0 DGADMP CCOCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138549276 1091225782 /nfs/dbraw/zinc/22/57/82/1091225782.db2.gz UKSAVUBLJMJNJL-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2c1 ZINC001205546215 1091250447 /nfs/dbraw/zinc/25/04/47/1091250447.db2.gz RWGOXXNLINBCAD-KRWDZBQOSA-N 2 1 306.381 3.094 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001205554153 1091251860 /nfs/dbraw/zinc/25/18/60/1091251860.db2.gz AMKQJSUPOSNIKR-IBGZPJMESA-N 3 1 307.526 3.105 20 0 DGADMP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)CC1 ZINC001205554153 1091251873 /nfs/dbraw/zinc/25/18/73/1091251873.db2.gz AMKQJSUPOSNIKR-IBGZPJMESA-N 2 1 307.526 3.105 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205558030 1091252354 /nfs/dbraw/zinc/25/23/54/1091252354.db2.gz ASMQFFNPDHTTDP-GOSISDBHSA-N 2 1 308.441 3.374 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001205558330 1091253038 /nfs/dbraw/zinc/25/30/38/1091253038.db2.gz DJVWPCUOQLECSP-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001205571802 1091259215 /nfs/dbraw/zinc/25/92/15/1091259215.db2.gz YBRUUAZQVNVQKB-KRWDZBQOSA-N 2 1 305.372 3.027 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001205571814 1091259646 /nfs/dbraw/zinc/25/96/46/1091259646.db2.gz YLXKGFNRRGZXJY-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001205571814 1091259657 /nfs/dbraw/zinc/25/96/57/1091259657.db2.gz YLXKGFNRRGZXJY-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205571603 1091260193 /nfs/dbraw/zinc/26/01/93/1091260193.db2.gz VVYFXIVWRMWPIC-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC001205570924 1091260373 /nfs/dbraw/zinc/26/03/73/1091260373.db2.gz PVQRMYHVLLCBBT-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001205578402 1091262912 /nfs/dbraw/zinc/26/29/12/1091262912.db2.gz AZOUVBVMDIBUKD-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205578514 1091264169 /nfs/dbraw/zinc/26/41/69/1091264169.db2.gz DRTPVEOYCISCDQ-GOSISDBHSA-N 2 1 308.441 3.435 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001205591747 1091269426 /nfs/dbraw/zinc/26/94/26/1091269426.db2.gz OTHBMDVYATUPCH-QGZVFWFLSA-N 2 1 305.372 3.027 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001205592310 1091269815 /nfs/dbraw/zinc/26/98/15/1091269815.db2.gz SIMAXZARAPCLIB-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205591077 1091269945 /nfs/dbraw/zinc/26/99/45/1091269945.db2.gz DBCGRGZZEJSBIX-MRXNPFEDSA-N 2 1 314.832 3.392 20 0 DGADMP CC(=O)n1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c2ccccc21 ZINC001205601941 1091273331 /nfs/dbraw/zinc/27/33/31/1091273331.db2.gz GVFXKXXMPPYGAZ-ZBFHGGJFSA-N 2 1 313.445 3.108 20 0 DGADMP Cc1cc2[nH]ccc2c(-c2ccc(CC[NH+]3CCOCC3)cc2)[nH+]1 ZINC001205613019 1091278541 /nfs/dbraw/zinc/27/85/41/1091278541.db2.gz GIIGKSCIQXSBOJ-UHFFFAOYSA-N 2 1 321.424 3.413 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205617752 1091281081 /nfs/dbraw/zinc/28/10/81/1091281081.db2.gz NDWFTGCBRDIIIC-OCCSQVGLSA-N 2 1 303.425 3.422 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)cc1Cl ZINC001205616861 1091281448 /nfs/dbraw/zinc/28/14/48/1091281448.db2.gz HHGCGVYFGSGJFG-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205617687 1091282369 /nfs/dbraw/zinc/28/23/69/1091282369.db2.gz MJKKLMGJQZLAOX-NWDGAFQWSA-N 2 1 314.832 3.295 20 0 DGADMP COc1c(Cl)ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205617688 1091282820 /nfs/dbraw/zinc/28/28/20/1091282820.db2.gz MJKKLMGJQZLAOX-RYUDHWBXSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)CC[C@H]1C[NH3+] ZINC001205618472 1091284707 /nfs/dbraw/zinc/28/47/07/1091284707.db2.gz WGPNMEMBQOISRL-ROUUACIJSA-N 2 1 315.505 3.484 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205626718 1091286383 /nfs/dbraw/zinc/28/63/83/1091286383.db2.gz IKINJRDLMWWYDF-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CC[C@H]1C[NH3+] ZINC001205626348 1091286476 /nfs/dbraw/zinc/28/64/76/1091286476.db2.gz GCMDTPMNQFEHGQ-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205627152 1091286524 /nfs/dbraw/zinc/28/65/24/1091286524.db2.gz NCXBAQOGIZUQNJ-LSDHHAIUSA-N 2 1 313.445 3.050 20 0 DGADMP COc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c2ccccc21 ZINC001205639026 1091291826 /nfs/dbraw/zinc/29/18/26/1091291826.db2.gz UZUMKDVEGBMEAR-HUUCEWRRSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205638785 1091292939 /nfs/dbraw/zinc/29/29/39/1091292939.db2.gz RXNPWKVCDWVLOL-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1C[NH3+] ZINC001205651284 1091296583 /nfs/dbraw/zinc/29/65/83/1091296583.db2.gz CEAUGBCCNRKPNK-YPMHNXCESA-N 2 1 316.367 3.234 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001205663273 1091303483 /nfs/dbraw/zinc/30/34/83/1091303483.db2.gz GWNYAWMLKYSWJI-HXUWFJFHSA-N 2 1 310.441 3.029 20 0 DGADMP CCc1cccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC001205677618 1091308059 /nfs/dbraw/zinc/30/80/59/1091308059.db2.gz DGGKHNBUHAEBPA-HXUWFJFHSA-N 2 1 317.521 3.097 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001205682726 1091310684 /nfs/dbraw/zinc/31/06/84/1091310684.db2.gz UAHRXTDGBBMCNL-FQEVSTJZSA-N 2 1 324.424 3.262 20 0 DGADMP Cc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)o1 ZINC001276483946 1091315619 /nfs/dbraw/zinc/31/56/19/1091315619.db2.gz ADJHURYFWHEYGE-ZWKOTPCHSA-N 2 1 303.450 3.450 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC001205734018 1091325353 /nfs/dbraw/zinc/32/53/53/1091325353.db2.gz AZJRMOSJEGWYKH-CYBMUJFWSA-N 2 1 322.321 3.164 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccc(C(F)(F)F)c2)CCC1(F)F ZINC001205734018 1091325360 /nfs/dbraw/zinc/32/53/60/1091325360.db2.gz AZJRMOSJEGWYKH-CYBMUJFWSA-N 2 1 322.321 3.164 20 0 DGADMP c1nocc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001205763963 1091338044 /nfs/dbraw/zinc/33/80/44/1091338044.db2.gz WGESUAYQLBFHFD-RTBURBONSA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001205763963 1091338055 /nfs/dbraw/zinc/33/80/55/1091338055.db2.gz WGESUAYQLBFHFD-RTBURBONSA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001205763963 1091338065 /nfs/dbraw/zinc/33/80/65/1091338065.db2.gz WGESUAYQLBFHFD-RTBURBONSA-N 2 1 311.429 3.019 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F ZINC001205780913 1091344899 /nfs/dbraw/zinc/34/48/99/1091344899.db2.gz TWXVQPODQSEBHV-LLVKDONJSA-N 2 1 313.779 3.237 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F ZINC001205780913 1091344910 /nfs/dbraw/zinc/34/49/10/1091344910.db2.gz TWXVQPODQSEBHV-LLVKDONJSA-N 2 1 313.779 3.237 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001205802255 1091356292 /nfs/dbraw/zinc/35/62/92/1091356292.db2.gz AYNXBUFXONFEDQ-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970026 1091398284 /nfs/dbraw/zinc/39/82/84/1091398284.db2.gz CEHMUNUBHHEYPN-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970026 1091398299 /nfs/dbraw/zinc/39/82/99/1091398299.db2.gz CEHMUNUBHHEYPN-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970026 1091398309 /nfs/dbraw/zinc/39/83/09/1091398309.db2.gz CEHMUNUBHHEYPN-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970026 1091398316 /nfs/dbraw/zinc/39/83/16/1091398316.db2.gz CEHMUNUBHHEYPN-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001205903687 1091402022 /nfs/dbraw/zinc/40/20/22/1091402022.db2.gz QSADJVDWEYVNJD-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(OCC)c1 ZINC001205904168 1091402303 /nfs/dbraw/zinc/40/23/03/1091402303.db2.gz SMIDLNHDSCNTGL-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(OCC)c1 ZINC001205904168 1091402306 /nfs/dbraw/zinc/40/23/06/1091402306.db2.gz SMIDLNHDSCNTGL-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205913204 1091407038 /nfs/dbraw/zinc/40/70/38/1091407038.db2.gz HOYLUEFDXUDCDT-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205913204 1091407041 /nfs/dbraw/zinc/40/70/41/1091407041.db2.gz HOYLUEFDXUDCDT-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP CCOC(=[NH2+])c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001205929554 1091419186 /nfs/dbraw/zinc/41/91/86/1091419186.db2.gz PEFXCIHQSZBIKS-UHFFFAOYSA-N 2 1 309.413 3.125 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC001205992048 1091440001 /nfs/dbraw/zinc/44/00/01/1091440001.db2.gz CYUIUJPVXNXARS-KBPBESRZSA-N 2 1 302.418 3.248 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205992930 1091440182 /nfs/dbraw/zinc/44/01/82/1091440182.db2.gz GHFVOGWXOJOXPN-GXTWGEPZSA-N 2 1 311.267 3.256 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)o2)CCC[C@H]1C[NH3+] ZINC001205995824 1091442183 /nfs/dbraw/zinc/44/21/83/1091442183.db2.gz QXAKRRHRDLMFLG-HOTGVXAUSA-N 2 1 305.466 3.077 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004546 1091446552 /nfs/dbraw/zinc/44/65/52/1091446552.db2.gz SZLGQJUJUBVULA-WCQYABFASA-N 2 1 315.383 3.216 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206012071 1091450306 /nfs/dbraw/zinc/45/03/06/1091450306.db2.gz IRNVFHDGVDNOPE-HZPDHXFCSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206014051 1091451705 /nfs/dbraw/zinc/45/17/05/1091451705.db2.gz VRNCPXZGHCYCFC-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206015013 1091452293 /nfs/dbraw/zinc/45/22/93/1091452293.db2.gz ZKLAQWSANVHBIC-DGCLKSJQSA-N 2 1 316.367 3.218 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206023672 1091454928 /nfs/dbraw/zinc/45/49/28/1091454928.db2.gz GBXBERVVXFPPRR-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccsc2Br)CCC[C@H]1C[NH3+] ZINC001206028911 1091459105 /nfs/dbraw/zinc/45/91/05/1091459105.db2.gz ZRODGZCTBPZKST-QWRGUYRKSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1nc2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)ccc2s1 ZINC001206028907 1091459707 /nfs/dbraw/zinc/45/97/07/1091459707.db2.gz ZPMNSVCLDFKICJ-SWLSCSKDSA-N 2 1 303.475 3.412 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CCC[C@H]1C[NH3+] ZINC001206036055 1091463220 /nfs/dbraw/zinc/46/32/20/1091463220.db2.gz FUGIMBFLYNJBRW-HIFRSBDPSA-N 2 1 317.408 3.288 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206036527 1091464207 /nfs/dbraw/zinc/46/42/07/1091464207.db2.gz KRBPDGNTRMJPJK-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2sc(C)nc2C)CC1 ZINC001206158152 1091512996 /nfs/dbraw/zinc/51/29/96/1091512996.db2.gz CRXJIFPRAGPMRO-UHFFFAOYSA-N 2 1 316.474 3.202 20 0 DGADMP N[C@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@H]1F ZINC001206153161 1091513014 /nfs/dbraw/zinc/51/30/14/1091513014.db2.gz CCVIJWRHHCOYFP-MSOLQXFVSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@H]1CC[N@H+](CCCCCOCc2ccccc2)CC[C@H]1F ZINC001206153161 1091513020 /nfs/dbraw/zinc/51/30/20/1091513020.db2.gz CCVIJWRHHCOYFP-MSOLQXFVSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@H]1F ZINC001206153161 1091513028 /nfs/dbraw/zinc/51/30/28/1091513028.db2.gz CCVIJWRHHCOYFP-MSOLQXFVSA-N 2 1 308.441 3.135 20 0 DGADMP CCC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324714 1091520373 /nfs/dbraw/zinc/52/03/73/1091520373.db2.gz MTDQUYNHVZNPHJ-OAHLLOKOSA-N 2 1 322.522 3.050 20 0 DGADMP CCC[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324714 1091520382 /nfs/dbraw/zinc/52/03/82/1091520382.db2.gz MTDQUYNHVZNPHJ-OAHLLOKOSA-N 2 1 322.522 3.050 20 0 DGADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C1CCCCC1 ZINC001139318465 1091521420 /nfs/dbraw/zinc/52/14/20/1091521420.db2.gz BXGGQGWEBIDLFE-UHFFFAOYSA-N 2 1 322.522 3.050 20 0 DGADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C1CCCCC1 ZINC001139318465 1091521423 /nfs/dbraw/zinc/52/14/23/1091521423.db2.gz BXGGQGWEBIDLFE-UHFFFAOYSA-N 2 1 322.522 3.050 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)CC[C@H]1F ZINC001206175652 1091521992 /nfs/dbraw/zinc/52/19/92/1091521992.db2.gz WRQICFZSTUACSF-HUUCEWRRSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC[C@@H]1F ZINC001206198670 1091532546 /nfs/dbraw/zinc/53/25/46/1091532546.db2.gz NHQYTDXTGZMWQK-IRXDYDNUSA-N 2 1 317.383 3.149 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1OC ZINC001206296812 1091565340 /nfs/dbraw/zinc/56/53/40/1091565340.db2.gz UYQXTICASLDEMB-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001206304920 1091571867 /nfs/dbraw/zinc/57/18/67/1091571867.db2.gz RMCGTYKRMPLKHI-KRWDZBQOSA-N 2 1 312.404 3.281 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001206305403 1091572051 /nfs/dbraw/zinc/57/20/51/1091572051.db2.gz YLCLZFPVVPQQEU-GOSISDBHSA-N 2 1 305.466 3.221 20 0 DGADMP COc1ccc2nccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c2c1 ZINC001206311876 1091573132 /nfs/dbraw/zinc/57/31/32/1091573132.db2.gz WJTBXSFKRVCYLH-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-c2cncnc2)CC1 ZINC001206311087 1091574119 /nfs/dbraw/zinc/57/41/19/1091574119.db2.gz IJWBMBIZHUUIPM-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317908 1091577444 /nfs/dbraw/zinc/57/74/44/1091577444.db2.gz KMQVCRYOGWBPIB-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001206324360 1091578492 /nfs/dbraw/zinc/57/84/92/1091578492.db2.gz AHDRTOQOAQKTSC-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3ccccn3)n2)CC1 ZINC001206325290 1091580751 /nfs/dbraw/zinc/58/07/51/1091580751.db2.gz HGXUSKJYFRESLI-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP COc1cccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)ccnc12 ZINC001206326930 1091580962 /nfs/dbraw/zinc/58/09/62/1091580962.db2.gz QTYUTLZXERESOD-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001206352609 1091593974 /nfs/dbraw/zinc/59/39/74/1091593974.db2.gz YXTZHIUKYWOEKO-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001206352609 1091593979 /nfs/dbraw/zinc/59/39/79/1091593979.db2.gz YXTZHIUKYWOEKO-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]2C1 ZINC001139641457 1091632319 /nfs/dbraw/zinc/63/23/19/1091632319.db2.gz BRYBLVLQMCWHOD-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]2C1 ZINC001139641457 1091632324 /nfs/dbraw/zinc/63/23/24/1091632324.db2.gz BRYBLVLQMCWHOD-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]2C1 ZINC001139641457 1091632327 /nfs/dbraw/zinc/63/23/27/1091632327.db2.gz BRYBLVLQMCWHOD-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP COc1ncc(Cl)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001139751072 1091664132 /nfs/dbraw/zinc/66/41/32/1091664132.db2.gz VPYLKUCHXUEZSP-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206550233 1091665713 /nfs/dbraw/zinc/66/57/13/1091665713.db2.gz XXHQSQIGSDMJKY-IBGZPJMESA-N 2 1 312.461 3.132 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001206550065 1091665856 /nfs/dbraw/zinc/66/58/56/1091665856.db2.gz UQLYZRHWOVTIQD-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001206550065 1091665859 /nfs/dbraw/zinc/66/58/59/1091665859.db2.gz UQLYZRHWOVTIQD-AWEZNQCLSA-N 2 1 301.356 3.051 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206554854 1091667051 /nfs/dbraw/zinc/66/70/51/1091667051.db2.gz GVANQLXNHJSSQS-SFHVURJKSA-N 2 1 306.498 3.206 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2-c2cncnc2)C1 ZINC001206556651 1091669250 /nfs/dbraw/zinc/66/92/50/1091669250.db2.gz UULRVELRSGHLEJ-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001206564533 1091672309 /nfs/dbraw/zinc/67/23/09/1091672309.db2.gz QIBJRMAWRGMLMQ-HXUWFJFHSA-N 2 1 311.473 3.487 20 0 DGADMP FC(F)c1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001139796803 1091673635 /nfs/dbraw/zinc/67/36/35/1091673635.db2.gz ZRJAIAOYEMWPCT-UHFFFAOYSA-N 2 1 303.356 3.341 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001206574227 1091675246 /nfs/dbraw/zinc/67/52/46/1091675246.db2.gz RDPIYYKUBPAJKO-LJQANCHMSA-N 2 1 319.468 3.377 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc2c1OCC=C2 ZINC001206583821 1091678307 /nfs/dbraw/zinc/67/83/07/1091678307.db2.gz WWLMBJZYEKAZJW-IBGZPJMESA-N 2 1 316.445 3.052 20 0 DGADMP CCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC001206582155 1091678360 /nfs/dbraw/zinc/67/83/60/1091678360.db2.gz MKHWSTRRBCGKGZ-KRWDZBQOSA-N 2 1 320.477 3.446 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)cc(N(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206606546 1091687541 /nfs/dbraw/zinc/68/75/41/1091687541.db2.gz OTSPJHYMEMCBTL-QGZVFWFLSA-N 2 1 307.457 3.244 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(OCC)c1 ZINC001206616394 1091690366 /nfs/dbraw/zinc/69/03/66/1091690366.db2.gz NSGNOMRLLOTTOY-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001206623166 1091693669 /nfs/dbraw/zinc/69/36/69/1091693669.db2.gz JQCGWGMDQSJDJY-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC001206727237 1091714248 /nfs/dbraw/zinc/71/42/48/1091714248.db2.gz ACQCYQGODICTSI-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC001206727237 1091714256 /nfs/dbraw/zinc/71/42/56/1091714256.db2.gz ACQCYQGODICTSI-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001206767619 1091730466 /nfs/dbraw/zinc/73/04/66/1091730466.db2.gz CNNGFWAUAMYFJH-RDJZCZTQSA-N 2 1 311.473 3.465 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768275 1091731363 /nfs/dbraw/zinc/73/13/63/1091731363.db2.gz IHJDECFMDCMKRS-HZPDHXFCSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768275 1091731368 /nfs/dbraw/zinc/73/13/68/1091731368.db2.gz IHJDECFMDCMKRS-HZPDHXFCSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770908 1091733426 /nfs/dbraw/zinc/73/34/26/1091733426.db2.gz UIVQCEAOTBGFNJ-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001206770908 1091733432 /nfs/dbraw/zinc/73/34/32/1091733432.db2.gz UIVQCEAOTBGFNJ-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206772225 1091734396 /nfs/dbraw/zinc/73/43/96/1091734396.db2.gz ZJUUZQBWXISYAN-ZIAGYGMSSA-N 2 1 301.434 3.126 20 0 DGADMP CC[N@H+](C)C1CC[NH+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140023234 1091740349 /nfs/dbraw/zinc/74/03/49/1091740349.db2.gz IGSJOSDBKGOHGQ-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140023234 1091740353 /nfs/dbraw/zinc/74/03/53/1091740353.db2.gz IGSJOSDBKGOHGQ-UHFFFAOYSA-N 2 1 310.445 3.060 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001140027890 1091744334 /nfs/dbraw/zinc/74/43/34/1091744334.db2.gz FXDYWYVRHIDLQG-UHFFFAOYSA-N 2 1 312.461 3.098 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001206810566 1091748773 /nfs/dbraw/zinc/74/87/73/1091748773.db2.gz OCGHUWMONNNUGU-NWDGAFQWSA-N 2 1 319.836 3.153 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001206810568 1091748990 /nfs/dbraw/zinc/74/89/90/1091748990.db2.gz OCGHUWMONNNUGU-VXGBXAGGSA-N 2 1 319.836 3.153 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206812186 1091751668 /nfs/dbraw/zinc/75/16/68/1091751668.db2.gz XNYMQROPDWGWBL-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206812186 1091751673 /nfs/dbraw/zinc/75/16/73/1091751673.db2.gz XNYMQROPDWGWBL-NWDGAFQWSA-N 2 1 316.367 3.273 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C[C@H]1CCC[NH+](C)C1 ZINC001276496810 1091760354 /nfs/dbraw/zinc/76/03/54/1091760354.db2.gz MQHWIZCVBXHFPH-WCIQWLHISA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@H]1CCC[N@H+](C)C1 ZINC001276496810 1091760363 /nfs/dbraw/zinc/76/03/63/1091760363.db2.gz MQHWIZCVBXHFPH-WCIQWLHISA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@H]1CCC[N@@H+](C)C1 ZINC001276496810 1091760372 /nfs/dbraw/zinc/76/03/72/1091760372.db2.gz MQHWIZCVBXHFPH-WCIQWLHISA-N 2 1 321.553 3.303 20 0 DGADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C/c1cc(C)c(C)cc1C ZINC001203011522 1091799779 /nfs/dbraw/zinc/79/97/79/1091799779.db2.gz NCOUGWSNPSOABL-IBDYFIJFSA-N 2 1 318.505 3.307 20 0 DGADMP C[C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)CC(C)(C)C ZINC001276503918 1091827649 /nfs/dbraw/zinc/82/76/49/1091827649.db2.gz LYVDRTNTRRJGEQ-KURKYZTESA-N 2 1 309.542 3.159 20 0 DGADMP COCC[N@@H+](Cc1cccc(C(F)F)c1)C1CCN(C)CC1 ZINC001207131142 1091855372 /nfs/dbraw/zinc/85/53/72/1091855372.db2.gz XNTIHVMZAWUGLM-UHFFFAOYSA-N 2 1 312.404 3.167 20 0 DGADMP CCCOc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC001207175394 1091875314 /nfs/dbraw/zinc/87/53/14/1091875314.db2.gz UEKQAAHPXUETPH-MSOLQXFVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001207175394 1091875320 /nfs/dbraw/zinc/87/53/20/1091875320.db2.gz UEKQAAHPXUETPH-MSOLQXFVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001207175394 1091875323 /nfs/dbraw/zinc/87/53/23/1091875323.db2.gz UEKQAAHPXUETPH-MSOLQXFVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C ZINC001207175394 1091875328 /nfs/dbraw/zinc/87/53/28/1091875328.db2.gz UEKQAAHPXUETPH-MSOLQXFVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC001207175394 1091875333 /nfs/dbraw/zinc/87/53/33/1091875333.db2.gz UEKQAAHPXUETPH-MSOLQXFVSA-N 2 1 302.462 3.310 20 0 DGADMP CCOC(=O)CC[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207278946 1091908092 /nfs/dbraw/zinc/90/80/92/1091908092.db2.gz HLFPIPLVDWJNEP-UHFFFAOYSA-N 2 1 320.477 3.030 20 0 DGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207278946 1091908099 /nfs/dbraw/zinc/90/80/99/1091908099.db2.gz HLFPIPLVDWJNEP-UHFFFAOYSA-N 2 1 320.477 3.030 20 0 DGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001207287249 1091912527 /nfs/dbraw/zinc/91/25/27/1091912527.db2.gz RDOIPHUOOZNNAY-KRWDZBQOSA-N 2 1 314.473 3.200 20 0 DGADMP CC1(C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001207290387 1091913730 /nfs/dbraw/zinc/91/37/30/1091913730.db2.gz BANRYZBFPXXMAA-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001207293374 1091913776 /nfs/dbraw/zinc/91/37/76/1091913776.db2.gz ILJCPZAJADGTOG-HXUWFJFHSA-N 2 1 314.473 3.009 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292765 1091914075 /nfs/dbraw/zinc/91/40/75/1091914075.db2.gz ZIWOQSFCVPJYCB-IBGZPJMESA-N 2 1 316.489 3.134 20 0 DGADMP CC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290750 1091914354 /nfs/dbraw/zinc/91/43/54/1091914354.db2.gz BRUCPHXNQJSZKQ-HXUWFJFHSA-N 2 1 314.473 3.200 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC=C(CCCC(C)(C)O)CC3)C[C@@H]2C1 ZINC001207414525 1091959918 /nfs/dbraw/zinc/95/99/18/1091959918.db2.gz WCWYWZJZHHYKOT-QRVBRYPASA-N 2 1 320.521 3.148 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC=C(CCCC(C)(C)O)CC3)C[C@@H]2C1 ZINC001207414525 1091959925 /nfs/dbraw/zinc/95/99/25/1091959925.db2.gz WCWYWZJZHHYKOT-QRVBRYPASA-N 2 1 320.521 3.148 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC=C(CCCC(C)(C)O)CC3)C[C@@H]2C1 ZINC001207414525 1091959932 /nfs/dbraw/zinc/95/99/32/1091959932.db2.gz WCWYWZJZHHYKOT-QRVBRYPASA-N 2 1 320.521 3.148 20 0 DGADMP Clc1cccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001207419238 1091960542 /nfs/dbraw/zinc/96/05/42/1091960542.db2.gz MESUMFKMQYNEMQ-UHFFFAOYSA-N 2 1 301.821 3.100 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001140728939 1091977419 /nfs/dbraw/zinc/97/74/19/1091977419.db2.gz ZQSPRXROHGYXKK-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[NH+]1CCC(CC[N@@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001207487843 1091984458 /nfs/dbraw/zinc/98/44/58/1091984458.db2.gz URSCORUFLIUXKK-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001207487843 1091984466 /nfs/dbraw/zinc/98/44/66/1091984466.db2.gz URSCORUFLIUXKK-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207488544 1091986168 /nfs/dbraw/zinc/98/61/68/1091986168.db2.gz MVTBVFUYVLMONX-UHFFFAOYSA-N 3 1 321.553 3.447 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC001140780712 1091996570 /nfs/dbraw/zinc/99/65/70/1091996570.db2.gz HXOFDUUGIJCTKZ-QGZVFWFLSA-N 2 1 300.377 3.491 20 0 DGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC001140780712 1091996572 /nfs/dbraw/zinc/99/65/72/1091996572.db2.gz HXOFDUUGIJCTKZ-QGZVFWFLSA-N 2 1 300.377 3.491 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140802547 1092005112 /nfs/dbraw/zinc/00/51/12/1092005112.db2.gz YOZHEQZCHAOABL-SFHVURJKSA-N 2 1 315.417 3.118 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140802547 1092005122 /nfs/dbraw/zinc/00/51/22/1092005122.db2.gz YOZHEQZCHAOABL-SFHVURJKSA-N 2 1 315.417 3.118 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802547 1092005130 /nfs/dbraw/zinc/00/51/30/1092005130.db2.gz YOZHEQZCHAOABL-SFHVURJKSA-N 2 1 315.417 3.118 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802547 1092005143 /nfs/dbraw/zinc/00/51/43/1092005143.db2.gz YOZHEQZCHAOABL-SFHVURJKSA-N 2 1 315.417 3.118 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Cc3nc(C)cs3)C2)CC1 ZINC001207654752 1092059212 /nfs/dbraw/zinc/05/92/12/1092059212.db2.gz MYRJRMIPRPCUCX-MRXNPFEDSA-N 2 1 307.507 3.048 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CC4CCSCC4)C[C@H]3C2)c1 ZINC001207706907 1092073804 /nfs/dbraw/zinc/07/38/04/1092073804.db2.gz FUBRTASWRIHCSM-HOTGVXAUSA-N 2 1 322.543 3.255 20 0 DGADMP C(C1CC1)[N@H+]1CCCC12CC[NH+](CC1CCSCC1)CC2 ZINC001207707065 1092074341 /nfs/dbraw/zinc/07/43/41/1092074341.db2.gz KXRBZFWNAFPDQT-UHFFFAOYSA-N 2 1 308.535 3.470 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001140970866 1092087780 /nfs/dbraw/zinc/08/77/80/1092087780.db2.gz XDUIRWZWDGIBIH-IBGZPJMESA-N 2 1 319.468 3.153 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2ncccn2)c1 ZINC001140979400 1092091414 /nfs/dbraw/zinc/09/14/14/1092091414.db2.gz NOLWQKDYKCKGQO-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2ncccn2)c1 ZINC001140979400 1092091420 /nfs/dbraw/zinc/09/14/20/1092091420.db2.gz NOLWQKDYKCKGQO-UHFFFAOYSA-N 2 1 310.445 3.061 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(N3CCCCC3)o1)CC2 ZINC001276544614 1092098394 /nfs/dbraw/zinc/09/83/94/1092098394.db2.gz KOAGLVFXXQGCGV-UHFFFAOYSA-N 2 1 317.477 3.188 20 0 DGADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ncco1)CC2 ZINC001141003598 1092103457 /nfs/dbraw/zinc/10/34/57/1092103457.db2.gz AFSODPZDRJZHHG-INIZCTEOSA-N 2 1 315.417 3.144 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ncco1)CC2 ZINC001141003598 1092103461 /nfs/dbraw/zinc/10/34/61/1092103461.db2.gz AFSODPZDRJZHHG-INIZCTEOSA-N 2 1 315.417 3.144 20 0 DGADMP C[C@@H]1CC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001207814568 1092107659 /nfs/dbraw/zinc/10/76/59/1092107659.db2.gz YNNCYPUPCJORHD-PBHICJAKSA-N 2 1 310.445 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001207837624 1092113071 /nfs/dbraw/zinc/11/30/71/1092113071.db2.gz QYCYNKUUAVQVAU-QXAKKESOSA-N 2 1 300.490 3.456 20 0 DGADMP C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207887527 1092128936 /nfs/dbraw/zinc/12/89/36/1092128936.db2.gz LWDPLGBNLDCDOR-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCO4)CC[C@H]3C2)cc1 ZINC001207896658 1092132114 /nfs/dbraw/zinc/13/21/14/1092132114.db2.gz RUAROUXOODALNS-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@H]3C2)cc1 ZINC001207896658 1092132121 /nfs/dbraw/zinc/13/21/21/1092132121.db2.gz RUAROUXOODALNS-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@H]3C2)cc1 ZINC001207896658 1092132123 /nfs/dbraw/zinc/13/21/23/1092132123.db2.gz RUAROUXOODALNS-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccnc2ccc(OC)cc12 ZINC001141152955 1092154356 /nfs/dbraw/zinc/15/43/56/1092154356.db2.gz ROCPJHSUCRVUKK-UHFFFAOYSA-N 2 1 301.434 3.017 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccnc2ccc(OC)cc12 ZINC001141152955 1092154362 /nfs/dbraw/zinc/15/43/62/1092154362.db2.gz ROCPJHSUCRVUKK-UHFFFAOYSA-N 2 1 301.434 3.017 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1csc(-c3ccccc3)n1)CC2 ZINC001141212716 1092180084 /nfs/dbraw/zinc/18/00/84/1092180084.db2.gz HZYJWKSPZNPDGW-UHFFFAOYSA-N 2 1 313.470 3.338 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000088698564 1092197316 /nfs/dbraw/zinc/19/73/16/1092197316.db2.gz RBUCXYKTVHBQLS-PKOBYXMFSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000088698564 1092197318 /nfs/dbraw/zinc/19/73/18/1092197318.db2.gz RBUCXYKTVHBQLS-PKOBYXMFSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000088698564 1092197319 /nfs/dbraw/zinc/19/73/19/1092197319.db2.gz RBUCXYKTVHBQLS-PKOBYXMFSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[N@@H+](CC(=O)c1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208108695 1092198780 /nfs/dbraw/zinc/19/87/80/1092198780.db2.gz GVIIBRYFNUEESC-UHFFFAOYSA-N 2 1 302.462 3.312 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001208115762 1092202862 /nfs/dbraw/zinc/20/28/62/1092202862.db2.gz MYLDCUZOYMJYJN-UHFFFAOYSA-N 2 1 319.468 3.070 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001141430777 1092241873 /nfs/dbraw/zinc/24/18/73/1092241873.db2.gz MPFRAYBMGLWZAV-UHFFFAOYSA-N 2 1 315.383 3.182 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc4nc(C)ccc4c3)C[C@H]2C1 ZINC001141484932 1092256067 /nfs/dbraw/zinc/25/60/67/1092256067.db2.gz GLNCRINPUKVEMX-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4nc(C)ccc4c3)C[C@@H]2C1 ZINC001141484932 1092256081 /nfs/dbraw/zinc/25/60/81/1092256081.db2.gz GLNCRINPUKVEMX-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4nc(C)ccc4c3)C[C@@H]2C1 ZINC001141484932 1092256095 /nfs/dbraw/zinc/25/60/95/1092256095.db2.gz GLNCRINPUKVEMX-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4nc(C)ccc4c3)C[C@@H]2C1 ZINC001141484932 1092256109 /nfs/dbraw/zinc/25/61/09/1092256109.db2.gz GLNCRINPUKVEMX-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4nc(C)ccc4c3)C[C@@H]2C1 ZINC001141484932 1092256121 /nfs/dbraw/zinc/25/61/21/1092256121.db2.gz GLNCRINPUKVEMX-KDURUIRLSA-N 2 1 309.457 3.317 20 0 DGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453083 1092357699 /nfs/dbraw/zinc/35/76/99/1092357699.db2.gz AHGPPKVPFOZUGN-DOOKAGJSSA-N 2 1 323.525 3.044 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1C ZINC001205992844 1092370530 /nfs/dbraw/zinc/37/05/30/1092370530.db2.gz GCRNMBSDLNSZFU-WMLDXEAASA-N 2 1 304.478 3.427 20 0 DGADMP C[NH+](C)C1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208582007 1092405672 /nfs/dbraw/zinc/40/56/72/1092405672.db2.gz CNOXGTXBEPOBHX-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC001208597717 1092419628 /nfs/dbraw/zinc/41/96/28/1092419628.db2.gz LMJKWEWYPLTNDL-FQEVSTJZSA-N 2 1 316.489 3.274 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2cccnc2)Cc2ccccn2)CC1 ZINC001208599630 1092420529 /nfs/dbraw/zinc/42/05/29/1092420529.db2.gz JFOFGFYCPXBYDD-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001208601232 1092421463 /nfs/dbraw/zinc/42/14/63/1092421463.db2.gz KUQSSDIBWBCLOZ-UHFFFAOYSA-N 2 1 322.456 3.191 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001208601232 1092421476 /nfs/dbraw/zinc/42/14/76/1092421476.db2.gz KUQSSDIBWBCLOZ-UHFFFAOYSA-N 2 1 322.456 3.191 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC001208609661 1092423438 /nfs/dbraw/zinc/42/34/38/1092423438.db2.gz VNPJJUGKQUVGIJ-AWEZNQCLSA-N 2 1 324.415 3.150 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC001208609663 1092424859 /nfs/dbraw/zinc/42/48/59/1092424859.db2.gz VNPJJUGKQUVGIJ-CQSZACIVSA-N 2 1 324.415 3.150 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001208613461 1092427934 /nfs/dbraw/zinc/42/79/34/1092427934.db2.gz USSWGXHREPASQX-ABSDTBQOSA-N 2 1 316.489 3.334 20 0 DGADMP C[C@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001208613461 1092427938 /nfs/dbraw/zinc/42/79/38/1092427938.db2.gz USSWGXHREPASQX-ABSDTBQOSA-N 2 1 316.489 3.334 20 0 DGADMP C[C@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001208613461 1092427947 /nfs/dbraw/zinc/42/79/47/1092427947.db2.gz USSWGXHREPASQX-ABSDTBQOSA-N 2 1 316.489 3.334 20 0 DGADMP COc1cccc(C2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208616044 1092430726 /nfs/dbraw/zinc/43/07/26/1092430726.db2.gz JKXDZVUSBRGFNG-MRXNPFEDSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@@H](CC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC001208662242 1092445383 /nfs/dbraw/zinc/44/53/83/1092445383.db2.gz BDKXSTITPXNJAN-SFHVURJKSA-N 2 1 323.569 3.408 20 0 DGADMP C[N@H+](CCCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208805152 1092518329 /nfs/dbraw/zinc/51/83/29/1092518329.db2.gz WGLJNDGEAUXCKO-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP C[N@@H+](CCCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208805152 1092518341 /nfs/dbraw/zinc/51/83/41/1092518341.db2.gz WGLJNDGEAUXCKO-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CN1CCC[C@@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814995 1092522453 /nfs/dbraw/zinc/52/24/53/1092522453.db2.gz MZLQOWYDCHWGQA-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC001169100067 1092529298 /nfs/dbraw/zinc/52/92/98/1092529298.db2.gz FSWKABARQBQIHL-HAGHYFMRSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118091 1092542068 /nfs/dbraw/zinc/54/20/68/1092542068.db2.gz DKSGCGPMXZCSND-MPTYRVRUSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118091 1092542077 /nfs/dbraw/zinc/54/20/77/1092542077.db2.gz DKSGCGPMXZCSND-MPTYRVRUSA-N 2 1 305.853 3.401 20 0 DGADMP COc1ccccc1[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169119822 1092543243 /nfs/dbraw/zinc/54/32/43/1092543243.db2.gz WWBFGORNIFLCSC-RCJHGTSTSA-N 2 1 300.446 3.361 20 0 DGADMP CCN(C)c1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]cc1C ZINC001169138359 1092549074 /nfs/dbraw/zinc/54/90/74/1092549074.db2.gz PZCJOTUPUDPGIX-KBXCAEBGSA-N 2 1 319.497 3.197 20 0 DGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC001169107632 1092550559 /nfs/dbraw/zinc/55/05/59/1092550559.db2.gz IMKPFJIJXDFKLU-QDMKHBRRSA-N 2 1 323.278 3.472 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142390 1092558902 /nfs/dbraw/zinc/55/89/02/1092558902.db2.gz UCJQPGPUPHRBNN-VUHPKUFZSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142390 1092558912 /nfs/dbraw/zinc/55/89/12/1092558912.db2.gz UCJQPGPUPHRBNN-VUHPKUFZSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142390 1092558922 /nfs/dbraw/zinc/55/89/22/1092558922.db2.gz UCJQPGPUPHRBNN-VUHPKUFZSA-N 2 1 300.446 3.457 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC001208882963 1092563721 /nfs/dbraw/zinc/56/37/21/1092563721.db2.gz QASUOGNSQQPXDW-UFYCRDLUSA-N 2 1 312.457 3.133 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCC=CO4)C[C@H]3C2)cc1 ZINC001208882963 1092563729 /nfs/dbraw/zinc/56/37/29/1092563729.db2.gz QASUOGNSQQPXDW-UFYCRDLUSA-N 2 1 312.457 3.133 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CCC2 ZINC001169152673 1092568211 /nfs/dbraw/zinc/56/82/11/1092568211.db2.gz CLNBMXCMALLKPO-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC001169152673 1092568219 /nfs/dbraw/zinc/56/82/19/1092568219.db2.gz CLNBMXCMALLKPO-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169152673 1092568226 /nfs/dbraw/zinc/56/82/26/1092568226.db2.gz CLNBMXCMALLKPO-PIIMJCKOSA-N 2 1 300.446 3.069 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[NH2+]CC3)C2 ZINC001169155065 1092568559 /nfs/dbraw/zinc/56/85/59/1092568559.db2.gz WZEVDIZFHYFRFJ-QDMKHBRRSA-N 2 1 313.420 3.224 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169155538 1092570732 /nfs/dbraw/zinc/57/07/32/1092570732.db2.gz QPTAFXOLEIFDSS-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CCC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169155538 1092570741 /nfs/dbraw/zinc/57/07/41/1092570741.db2.gz QPTAFXOLEIFDSS-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP COc1cccc(CCC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169155538 1092570753 /nfs/dbraw/zinc/57/07/53/1092570753.db2.gz QPTAFXOLEIFDSS-BCDXTJNWSA-N 2 1 302.462 3.185 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142874482 1092573556 /nfs/dbraw/zinc/57/35/56/1092573556.db2.gz VKJCXDMRLQACKK-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001169140476 1092574761 /nfs/dbraw/zinc/57/47/61/1092574761.db2.gz KGCJCYWWLBYDKG-DFGXFYAUSA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001169140476 1092574771 /nfs/dbraw/zinc/57/47/71/1092574771.db2.gz KGCJCYWWLBYDKG-DFGXFYAUSA-N 2 1 317.502 3.263 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001169140476 1092574780 /nfs/dbraw/zinc/57/47/80/1092574780.db2.gz KGCJCYWWLBYDKG-DFGXFYAUSA-N 2 1 317.502 3.263 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccnc3[nH]ccc32)CC1 ZINC001142887874 1092580118 /nfs/dbraw/zinc/58/01/18/1092580118.db2.gz OUQRBDJKPGDFSF-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208916458 1092584224 /nfs/dbraw/zinc/58/42/24/1092584224.db2.gz JMYCWWJKAWNEGI-HDICACEKSA-N 2 1 314.473 3.056 20 0 DGADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208916458 1092584235 /nfs/dbraw/zinc/58/42/35/1092584235.db2.gz JMYCWWJKAWNEGI-HDICACEKSA-N 2 1 314.473 3.056 20 0 DGADMP CCC(=O)C(C)(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208916458 1092584242 /nfs/dbraw/zinc/58/42/42/1092584242.db2.gz JMYCWWJKAWNEGI-HDICACEKSA-N 2 1 314.473 3.056 20 0 DGADMP CCC(=O)C(C)(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208916458 1092584245 /nfs/dbraw/zinc/58/42/45/1092584245.db2.gz JMYCWWJKAWNEGI-HDICACEKSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@@]4(CCCO4)C3)C2)cc1 ZINC001208933600 1092597102 /nfs/dbraw/zinc/59/71/02/1092597102.db2.gz WJLPGCWXCYONLW-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@@]4(CCCO4)C3)C2)cc1 ZINC001208933600 1092597104 /nfs/dbraw/zinc/59/71/04/1092597104.db2.gz WJLPGCWXCYONLW-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@@]4(CCCO4)C3)C2)cc1 ZINC001208933600 1092597112 /nfs/dbraw/zinc/59/71/12/1092597112.db2.gz WJLPGCWXCYONLW-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938099 1092600423 /nfs/dbraw/zinc/60/04/23/1092600423.db2.gz WVGGDGPCILVEIN-CADBVGFASA-N 2 1 302.437 3.331 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938099 1092600425 /nfs/dbraw/zinc/60/04/25/1092600425.db2.gz WVGGDGPCILVEIN-CADBVGFASA-N 2 1 302.437 3.331 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938099 1092600431 /nfs/dbraw/zinc/60/04/31/1092600431.db2.gz WVGGDGPCILVEIN-CADBVGFASA-N 2 1 302.437 3.331 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939955 1092601081 /nfs/dbraw/zinc/60/10/81/1092601081.db2.gz MHIHAXWIHSKVSR-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939955 1092601083 /nfs/dbraw/zinc/60/10/83/1092601083.db2.gz MHIHAXWIHSKVSR-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939955 1092601085 /nfs/dbraw/zinc/60/10/85/1092601085.db2.gz MHIHAXWIHSKVSR-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC[C@]34CCOC4)C2)cc1 ZINC001208939955 1092601086 /nfs/dbraw/zinc/60/10/86/1092601086.db2.gz MHIHAXWIHSKVSR-WOJBJXKFSA-N 2 1 314.473 3.154 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C(F)(F)F)c2)CC1 ZINC001169230795 1092603529 /nfs/dbraw/zinc/60/35/29/1092603529.db2.gz ILUYUKOBRGKWAY-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948094 1092606880 /nfs/dbraw/zinc/60/68/80/1092606880.db2.gz NOROBWIPRWMBCQ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948094 1092606883 /nfs/dbraw/zinc/60/68/83/1092606883.db2.gz NOROBWIPRWMBCQ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948094 1092606891 /nfs/dbraw/zinc/60/68/91/1092606891.db2.gz NOROBWIPRWMBCQ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC001208948094 1092606895 /nfs/dbraw/zinc/60/68/95/1092606895.db2.gz NOROBWIPRWMBCQ-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC([N@H+](Cc2cccc(OC)c2)[C@H](C)COC)CC1 ZINC001169263746 1092606936 /nfs/dbraw/zinc/60/69/36/1092606936.db2.gz AQFQNDSOGLSLBB-MRXNPFEDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CCC([N@@H+](Cc2cccc(OC)c2)[C@H](C)COC)CC1 ZINC001169263746 1092606941 /nfs/dbraw/zinc/60/69/41/1092606941.db2.gz AQFQNDSOGLSLBB-MRXNPFEDSA-N 2 1 320.477 3.016 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Oc3cccc(C)c3)CC2)CC1 ZINC001169265686 1092609488 /nfs/dbraw/zinc/60/94/88/1092609488.db2.gz PHTWUNNNAMFPAH-UHFFFAOYSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001169258956 1092620558 /nfs/dbraw/zinc/62/05/58/1092620558.db2.gz WGDXCYQUTBXHMS-KRWDZBQOSA-N 2 1 305.491 3.122 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001169258956 1092620562 /nfs/dbraw/zinc/62/05/62/1092620562.db2.gz WGDXCYQUTBXHMS-KRWDZBQOSA-N 2 1 305.491 3.122 20 0 DGADMP COCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209052591 1092634678 /nfs/dbraw/zinc/63/46/78/1092634678.db2.gz VTNAFUHXLXHWEZ-CGTJXYLNSA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209052591 1092634682 /nfs/dbraw/zinc/63/46/82/1092634682.db2.gz VTNAFUHXLXHWEZ-CGTJXYLNSA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209052591 1092634686 /nfs/dbraw/zinc/63/46/86/1092634686.db2.gz VTNAFUHXLXHWEZ-CGTJXYLNSA-N 2 1 322.518 3.317 20 0 DGADMP CN(C)c1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)s1 ZINC001276630999 1092729693 /nfs/dbraw/zinc/72/96/93/1092729693.db2.gz FQKSZGDQVJHITG-UHFFFAOYSA-N 2 1 307.507 3.122 20 0 DGADMP COc1ccc(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276630952 1092730138 /nfs/dbraw/zinc/73/01/38/1092730138.db2.gz DXNHEEUBVPDWND-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276630952 1092730143 /nfs/dbraw/zinc/73/01/43/1092730143.db2.gz DXNHEEUBVPDWND-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276630952 1092730152 /nfs/dbraw/zinc/73/01/52/1092730152.db2.gz DXNHEEUBVPDWND-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C)cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276630952 1092730157 /nfs/dbraw/zinc/73/01/57/1092730157.db2.gz DXNHEEUBVPDWND-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP Cc1ccc(C2(O)CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC001209448714 1092777898 /nfs/dbraw/zinc/77/78/98/1092777898.db2.gz ZRINFIVJKMCONX-UHFFFAOYSA-N 2 1 316.489 3.154 20 0 DGADMP C(CN1CCC2(CCC[N@H+]2CC2CC2)CC1)C[NH+]1CCCCC1 ZINC001209451241 1092778137 /nfs/dbraw/zinc/77/81/37/1092778137.db2.gz HJWYHCMHSLXFNC-UHFFFAOYSA-N 2 1 319.537 3.203 20 0 DGADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001276647096 1092796594 /nfs/dbraw/zinc/79/65/94/1092796594.db2.gz XVURIFVFQPCAPX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001276647096 1092796604 /nfs/dbraw/zinc/79/66/04/1092796604.db2.gz XVURIFVFQPCAPX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001276647096 1092796613 /nfs/dbraw/zinc/79/66/13/1092796613.db2.gz XVURIFVFQPCAPX-YQQQUEKLSA-N 2 1 307.526 3.103 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001206639400 1092868665 /nfs/dbraw/zinc/86/86/65/1092868665.db2.gz CPQSOFSYPHINBX-HNNXBMFYSA-N 2 1 313.420 3.449 20 0 DGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC001209730071 1092895609 /nfs/dbraw/zinc/89/56/09/1092895609.db2.gz FATIUYLNEAFCGI-KRWDZBQOSA-N 2 1 323.440 3.033 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)o1)CC2 ZINC001276677556 1093030888 /nfs/dbraw/zinc/03/08/88/1093030888.db2.gz XDJHHPYDPFBJHD-UHFFFAOYSA-N 2 1 302.340 3.216 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)o1)CC2 ZINC001276677556 1093030894 /nfs/dbraw/zinc/03/08/94/1093030894.db2.gz XDJHHPYDPFBJHD-UHFFFAOYSA-N 2 1 302.340 3.216 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210476312 1093181260 /nfs/dbraw/zinc/18/12/60/1093181260.db2.gz UPFHMCCDGMEKMD-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210476312 1093181265 /nfs/dbraw/zinc/18/12/65/1093181265.db2.gz UPFHMCCDGMEKMD-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210583980 1093219315 /nfs/dbraw/zinc/21/93/15/1093219315.db2.gz BOCJZGILMSPCIY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)CC1 ZINC001276696971 1093441575 /nfs/dbraw/zinc/44/15/75/1093441575.db2.gz ZQPNLJIHVXFNKI-FQEVSTJZSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001276696971 1093441580 /nfs/dbraw/zinc/44/15/80/1093441580.db2.gz ZQPNLJIHVXFNKI-FQEVSTJZSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001276696971 1093441583 /nfs/dbraw/zinc/44/15/83/1093441583.db2.gz ZQPNLJIHVXFNKI-FQEVSTJZSA-N 3 1 319.537 3.059 20 0 DGADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276719208 1093940741 /nfs/dbraw/zinc/94/07/41/1093940741.db2.gz MYBKOUTUCUDMLI-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCCOC1)[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276719208 1093940745 /nfs/dbraw/zinc/94/07/45/1093940745.db2.gz MYBKOUTUCUDMLI-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP C([C@H]1CCCOC1)[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276719208 1093940749 /nfs/dbraw/zinc/94/07/49/1093940749.db2.gz MYBKOUTUCUDMLI-MJGOQNOKSA-N 2 1 306.494 3.144 20 0 DGADMP CCC[N@H+]1CCc2c(N)sc(Nc3cc[nH+]c(NC)c3)c2C1 ZINC001216333911 1094176939 /nfs/dbraw/zinc/17/69/39/1094176939.db2.gz MUMKWWBADHHBKL-UHFFFAOYSA-N 2 1 317.462 3.279 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1 ZINC000404386207 1094256554 /nfs/dbraw/zinc/25/65/54/1094256554.db2.gz WFJIRFCWLWYVOJ-PBHICJAKSA-N 2 1 314.429 3.051 20 0 DGADMP C[C@@H]1C[C@H](N(CC[NH3+])Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000307716022 1094261352 /nfs/dbraw/zinc/26/13/52/1094261352.db2.gz JMYZVJNUZGIDSE-NQIIRXRSSA-N 2 1 323.484 3.110 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(O)c3Cl)C[C@H]2C1 ZINC001120070834 1094370208 /nfs/dbraw/zinc/37/02/08/1094370208.db2.gz CIEQBBBHTNXDHF-NWANDNLSSA-N 2 1 308.853 3.208 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217694868 1094474545 /nfs/dbraw/zinc/47/45/45/1094474545.db2.gz MKNVGFLALIQQGF-IMJJTQAJSA-N 2 1 314.433 3.105 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217694868 1094474548 /nfs/dbraw/zinc/47/45/48/1094474548.db2.gz MKNVGFLALIQQGF-IMJJTQAJSA-N 2 1 314.433 3.105 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217769766 1094492583 /nfs/dbraw/zinc/49/25/83/1094492583.db2.gz YNFNMEVWXGLVOQ-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217768782 1094493242 /nfs/dbraw/zinc/49/32/42/1094493242.db2.gz ADIMZMUAVDIFIF-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP [NH3+][C@H]1CC[C@H](CO[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001217907647 1094514887 /nfs/dbraw/zinc/51/48/87/1094514887.db2.gz CMQVIZAQQVFVDV-KBAYOESNSA-N 2 1 320.452 3.324 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC001217910597 1094515720 /nfs/dbraw/zinc/51/57/20/1094515720.db2.gz MILWSTFGJMQBIK-WBVHZDCISA-N 2 1 322.880 3.321 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276765031 1094518144 /nfs/dbraw/zinc/51/81/44/1094518144.db2.gz PKOQIUNJDYDEFK-QGZVFWFLSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001217968227 1094533801 /nfs/dbraw/zinc/53/38/01/1094533801.db2.gz XTVPXQVCYZBVCG-JXFKEZNVSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001217967057 1094534190 /nfs/dbraw/zinc/53/41/90/1094534190.db2.gz MFWZLKAOPDTVMJ-OXQOHEQNSA-N 2 1 310.441 3.435 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@H]3CCCOCC3)CC1)C2 ZINC001170832530 1094604737 /nfs/dbraw/zinc/60/47/37/1094604737.db2.gz ZPWFGDRUFUHGNR-IBGZPJMESA-N 2 1 314.473 3.078 20 0 DGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@H]3CCCOCC3)CC1)C2 ZINC001170832530 1094604744 /nfs/dbraw/zinc/60/47/44/1094604744.db2.gz ZPWFGDRUFUHGNR-IBGZPJMESA-N 2 1 314.473 3.078 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276777548 1094671972 /nfs/dbraw/zinc/67/19/72/1094671972.db2.gz WNTWJYHTDMIZKV-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)Oc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276777548 1094671977 /nfs/dbraw/zinc/67/19/77/1094671977.db2.gz WNTWJYHTDMIZKV-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)Oc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276777548 1094671981 /nfs/dbraw/zinc/67/19/81/1094671981.db2.gz WNTWJYHTDMIZKV-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP COc1ccc(Cl)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001336655424 1094686673 /nfs/dbraw/zinc/68/66/73/1094686673.db2.gz DKKVXTBXZAJJES-MQVJKMGUSA-N 2 1 308.853 3.106 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135860716 1094722357 /nfs/dbraw/zinc/72/23/57/1094722357.db2.gz GUPKRAKSAKAKLG-IRXDYDNUSA-N 2 1 323.525 3.092 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cn1 ZINC001336887677 1094772828 /nfs/dbraw/zinc/77/28/28/1094772828.db2.gz DXGKANGORBYGNA-NSHGMRRFSA-N 2 1 315.505 3.442 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135980549 1094773273 /nfs/dbraw/zinc/77/32/73/1094773273.db2.gz QAYQEDRPKXBUJN-CVEARBPZSA-N 2 1 313.530 3.027 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC001218441410 1094775803 /nfs/dbraw/zinc/77/58/03/1094775803.db2.gz JZSXTLZBAIKGQM-ZRGWGRIASA-N 2 1 300.446 3.177 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC001135996203 1094786421 /nfs/dbraw/zinc/78/64/21/1094786421.db2.gz QYGPPNGLRTYPRE-IAGOWNOFSA-N 2 1 313.530 3.027 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)C ZINC001135996202 1094786585 /nfs/dbraw/zinc/78/65/85/1094786585.db2.gz QYGPPNGLRTYPRE-DLBZAZTESA-N 2 1 313.530 3.027 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935191 1094962325 /nfs/dbraw/zinc/96/23/25/1094962325.db2.gz QCNVSOPXTAYMFV-INIZCTEOSA-N 2 1 306.881 3.471 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCCC[NH2+]C1 ZINC000697080559 1095041361 /nfs/dbraw/zinc/04/13/61/1095041361.db2.gz COFCJJXQONYCAJ-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)C[C@@H]1CCCC[NH2+]C1 ZINC000697080559 1095041374 /nfs/dbraw/zinc/04/13/74/1095041374.db2.gz COFCJJXQONYCAJ-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246187267 1095087732 /nfs/dbraw/zinc/08/77/32/1095087732.db2.gz FNQZQARYBQFFOH-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CCC2 ZINC001337805414 1095101336 /nfs/dbraw/zinc/10/13/36/1095101336.db2.gz KANXHRJNXKYRPD-HZPDHXFCSA-N 2 1 304.482 3.209 20 0 DGADMP CC(C)n1ccn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001337804732 1095102000 /nfs/dbraw/zinc/10/20/00/1095102000.db2.gz FVUZYWKSSODLOG-ARFHVFGLSA-N 2 1 322.522 3.220 20 0 DGADMP CCC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115573214 1095283534 /nfs/dbraw/zinc/28/35/34/1095283534.db2.gz NAYUSGLVDYRTBF-KRWDZBQOSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC001338492453 1095319430 /nfs/dbraw/zinc/31/94/30/1095319430.db2.gz UBCRQXLZWPMQGR-CJNGLKHVSA-N 2 1 310.869 3.083 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171095889 1095339735 /nfs/dbraw/zinc/33/97/35/1095339735.db2.gz VAVQNMIWNCBWOA-AWEZNQCLSA-N 2 1 320.440 3.216 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148027 1095457209 /nfs/dbraw/zinc/45/72/09/1095457209.db2.gz IFKORMLYDZUUQW-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148027 1095457217 /nfs/dbraw/zinc/45/72/17/1095457217.db2.gz IFKORMLYDZUUQW-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)[nH]c2c1 ZINC001222148020 1095457577 /nfs/dbraw/zinc/45/75/77/1095457577.db2.gz HZICCHHXGWEDET-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)[nH]c2c1 ZINC001222148020 1095457585 /nfs/dbraw/zinc/45/75/85/1095457585.db2.gz HZICCHHXGWEDET-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148104 1095457712 /nfs/dbraw/zinc/45/77/12/1095457712.db2.gz KIMNAQJBKVNQJT-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148104 1095457715 /nfs/dbraw/zinc/45/77/15/1095457715.db2.gz KIMNAQJBKVNQJT-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC001222154595 1095462654 /nfs/dbraw/zinc/46/26/54/1095462654.db2.gz NXTLIRSNRUJDQV-FQEVSTJZSA-N 2 1 323.440 3.449 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC001222154595 1095462663 /nfs/dbraw/zinc/46/26/63/1095462663.db2.gz NXTLIRSNRUJDQV-FQEVSTJZSA-N 2 1 323.440 3.449 20 0 DGADMP c1cncc(Oc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC001222154596 1095462911 /nfs/dbraw/zinc/46/29/11/1095462911.db2.gz NXTLIRSNRUJDQV-HXUWFJFHSA-N 2 1 323.440 3.449 20 0 DGADMP c1cncc(Oc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC001222154596 1095462918 /nfs/dbraw/zinc/46/29/18/1095462918.db2.gz NXTLIRSNRUJDQV-HXUWFJFHSA-N 2 1 323.440 3.449 20 0 DGADMP Oc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222168128 1095472826 /nfs/dbraw/zinc/47/28/26/1095472826.db2.gz VFQVDCXKIARLGD-GOSISDBHSA-N 2 1 306.425 3.277 20 0 DGADMP Oc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222168128 1095472831 /nfs/dbraw/zinc/47/28/31/1095472831.db2.gz VFQVDCXKIARLGD-GOSISDBHSA-N 2 1 306.425 3.277 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cnc1F ZINC001222167336 1095472944 /nfs/dbraw/zinc/47/29/44/1095472944.db2.gz KHZHJHCIZSQOFO-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cnc1F ZINC001222167336 1095472952 /nfs/dbraw/zinc/47/29/52/1095472952.db2.gz KHZHJHCIZSQOFO-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP c1cn2cccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2n1 ZINC001222167340 1095473167 /nfs/dbraw/zinc/47/31/67/1095473167.db2.gz KOIHPEQYSJQGJG-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c1)CCO2 ZINC001222168174 1095473434 /nfs/dbraw/zinc/47/34/34/1095473434.db2.gz WMILIBIYFLCKHW-FQEVSTJZSA-N 2 1 314.473 3.367 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(C)n1 ZINC001222167351 1095474204 /nfs/dbraw/zinc/47/42/04/1095474204.db2.gz KPSXJZPKQSXMLL-IBGZPJMESA-N 2 1 301.478 3.444 20 0 DGADMP c1[nH]c2cnccc2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222168242 1095476710 /nfs/dbraw/zinc/47/67/10/1095476710.db2.gz YNGYQJFHXRBTMJ-IBGZPJMESA-N 2 1 312.461 3.309 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1NCC2 ZINC001222172668 1095478095 /nfs/dbraw/zinc/47/80/95/1095478095.db2.gz MMTRZCLYKLTIIL-FQEVSTJZSA-N 2 1 313.489 3.400 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c1CCN2 ZINC001222172489 1095478255 /nfs/dbraw/zinc/47/82/55/1095478255.db2.gz LLPATUFAAZROQI-HXUWFJFHSA-N 2 1 313.489 3.400 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c1)CCN2 ZINC001222173753 1095479142 /nfs/dbraw/zinc/47/91/42/1095479142.db2.gz XDCWLLVWMDPJID-HXUWFJFHSA-N 2 1 313.489 3.400 20 0 DGADMP Cc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)cc1Cl ZINC001222231313 1095501185 /nfs/dbraw/zinc/50/11/85/1095501185.db2.gz CJKDJXCYUOOTGR-UHFFFAOYSA-N 2 1 305.784 3.259 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC001116292688 1095508464 /nfs/dbraw/zinc/50/84/64/1095508464.db2.gz BAQUPCJORBHIMC-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139238 1095509970 /nfs/dbraw/zinc/50/99/70/1095509970.db2.gz KCIATQHSRRVKPA-LBPRGKRZSA-N 2 1 310.228 3.421 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc21 ZINC001222277139 1095526426 /nfs/dbraw/zinc/52/64/26/1095526426.db2.gz KRULWQUOUAIMBO-HXUWFJFHSA-N 2 1 313.489 3.035 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1C ZINC001222308032 1095540926 /nfs/dbraw/zinc/54/09/26/1095540926.db2.gz FSZZFYBNLZNJIP-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP FC1(F)Oc2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)cc2O1 ZINC001222315558 1095544846 /nfs/dbraw/zinc/54/48/46/1095544846.db2.gz OJZGOZFVRNSGMC-MRXNPFEDSA-N 2 1 324.371 3.116 20 0 DGADMP Fc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c2c(c1)CCCO2 ZINC001222320196 1095549522 /nfs/dbraw/zinc/54/95/22/1095549522.db2.gz CUTPLVQYRBBHLV-IBGZPJMESA-N 2 1 318.436 3.259 20 0 DGADMP Fc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c2c(c1)CCCO2 ZINC001222320196 1095549532 /nfs/dbraw/zinc/54/95/32/1095549532.db2.gz CUTPLVQYRBBHLV-IBGZPJMESA-N 2 1 318.436 3.259 20 0 DGADMP Brc1cccc(CCC[NH+]2CC3(C2)CCC[NH2+]C3)c1 ZINC001222335335 1095556680 /nfs/dbraw/zinc/55/66/80/1095556680.db2.gz HJAXBGSBWWZHPD-UHFFFAOYSA-N 2 1 323.278 3.067 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001222344606 1095562809 /nfs/dbraw/zinc/56/28/09/1095562809.db2.gz AOTKPZBSDQSWDN-FQEVSTJZSA-N 2 1 313.489 3.121 20 0 DGADMP COc1cccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222385084 1095584847 /nfs/dbraw/zinc/58/48/47/1095584847.db2.gz FKTVAAIIYHXFJS-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222385084 1095584854 /nfs/dbraw/zinc/58/48/54/1095584854.db2.gz FKTVAAIIYHXFJS-IBGZPJMESA-N 2 1 302.462 3.236 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554877 1095600549 /nfs/dbraw/zinc/60/05/49/1095600549.db2.gz FGNQQFWAYBUDGT-YPMHNXCESA-N 2 1 302.796 3.187 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554877 1095600553 /nfs/dbraw/zinc/60/05/53/1095600553.db2.gz FGNQQFWAYBUDGT-YPMHNXCESA-N 2 1 302.796 3.187 20 0 DGADMP CCc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC001144321816 1095603848 /nfs/dbraw/zinc/60/38/48/1095603848.db2.gz ZWCNJSFPFBXMGS-OYRHEFFESA-N 2 1 321.468 3.208 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4nc(Cl)ccc34)C2)CC1 ZINC001144415074 1095647649 /nfs/dbraw/zinc/64/76/49/1095647649.db2.gz AUCAHLQSULWVMA-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC001222553313 1095663583 /nfs/dbraw/zinc/66/35/83/1095663583.db2.gz UKAHTQBTMOXSDJ-UHFFFAOYSA-N 2 1 323.799 3.258 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C)c1 ZINC001222595798 1095682494 /nfs/dbraw/zinc/68/24/94/1095682494.db2.gz JKWQHKLXSIOEKS-HXUWFJFHSA-N 2 1 306.453 3.492 20 0 DGADMP Cc1ccc(CCC[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)o1 ZINC001222595855 1095682810 /nfs/dbraw/zinc/68/28/10/1095682810.db2.gz KOJMUSZQWMHLHN-IBGZPJMESA-N 2 1 310.441 3.210 20 0 DGADMP COc1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001144488632 1095685326 /nfs/dbraw/zinc/68/53/26/1095685326.db2.gz RBDZFIMMIGASBC-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP COC(=O)c1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001116879972 1095689411 /nfs/dbraw/zinc/68/94/11/1095689411.db2.gz FZLJFXXOPHDRLD-MRXNPFEDSA-N 2 1 318.461 3.075 20 0 DGADMP COC(=O)c1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001116879971 1095689632 /nfs/dbraw/zinc/68/96/32/1095689632.db2.gz FZLJFXXOPHDRLD-INIZCTEOSA-N 2 1 318.461 3.075 20 0 DGADMP Cc1cc(F)cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608855 1095691986 /nfs/dbraw/zinc/69/19/86/1095691986.db2.gz GXXMJGJOSYNREG-IBGZPJMESA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cc(F)cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608855 1095691990 /nfs/dbraw/zinc/69/19/90/1095691990.db2.gz GXXMJGJOSYNREG-IBGZPJMESA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(C)C ZINC001222629779 1095699614 /nfs/dbraw/zinc/69/96/14/1095699614.db2.gz OGEMJJLIVLWXMI-CALCHBBNSA-N 2 1 302.462 3.214 20 0 DGADMP Cc1nn(C)c(Cl)c1CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001137750114 1095729443 /nfs/dbraw/zinc/72/94/43/1095729443.db2.gz FTTPBURQYMUULU-GJZGRUSLSA-N 2 1 324.900 3.221 20 0 DGADMP COC(=O)c1ccccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001137787455 1095740268 /nfs/dbraw/zinc/74/02/68/1095740268.db2.gz HPLKHFYFNUTXTR-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP CCCCc1nc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)[nH]1 ZINC001276837337 1095750276 /nfs/dbraw/zinc/75/02/76/1095750276.db2.gz JUVDAUDWAIHHBO-OKILXGFUSA-N 2 1 324.900 3.179 20 0 DGADMP CCCCc1nc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)[nH]1 ZINC001276837337 1095750295 /nfs/dbraw/zinc/75/02/95/1095750295.db2.gz JUVDAUDWAIHHBO-OKILXGFUSA-N 2 1 324.900 3.179 20 0 DGADMP CCCCc1nc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)[nH]1 ZINC001276837337 1095750303 /nfs/dbraw/zinc/75/03/03/1095750303.db2.gz JUVDAUDWAIHHBO-OKILXGFUSA-N 2 1 324.900 3.179 20 0 DGADMP Nc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276861669 1095857575 /nfs/dbraw/zinc/85/75/75/1095857575.db2.gz RPDSUYXEGQIOAY-HDICACEKSA-N 2 1 313.489 3.355 20 0 DGADMP Nc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276861669 1095857594 /nfs/dbraw/zinc/85/75/94/1095857594.db2.gz RPDSUYXEGQIOAY-HDICACEKSA-N 2 1 313.489 3.355 20 0 DGADMP Nc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276861669 1095857608 /nfs/dbraw/zinc/85/76/08/1095857608.db2.gz RPDSUYXEGQIOAY-HDICACEKSA-N 2 1 313.489 3.355 20 0 DGADMP Nc1cccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001276861901 1095859720 /nfs/dbraw/zinc/85/97/20/1095859720.db2.gz UIICYDWRUFKSRN-UHFFFAOYSA-N 2 1 313.489 3.499 20 0 DGADMP COc1nc(Cl)ccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276863584 1095866677 /nfs/dbraw/zinc/86/66/77/1095866677.db2.gz OIYNGLJYTGEACX-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1nc(Cl)ccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276863584 1095866690 /nfs/dbraw/zinc/86/66/90/1095866690.db2.gz OIYNGLJYTGEACX-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cncn2C(C)C)n1 ZINC001118099327 1095936858 /nfs/dbraw/zinc/93/68/58/1095936858.db2.gz KBLLJFYXVAGKNZ-MRXNPFEDSA-N 2 1 313.449 3.244 20 0 DGADMP CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001340979120 1096083510 /nfs/dbraw/zinc/08/35/10/1096083510.db2.gz BTCCBQKLGFDDMG-CYBMUJFWSA-N 2 1 311.857 3.104 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930783 1096108193 /nfs/dbraw/zinc/10/81/93/1096108193.db2.gz PLPOLRCASDRQAE-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC001118930783 1096108201 /nfs/dbraw/zinc/10/82/01/1096108201.db2.gz PLPOLRCASDRQAE-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC1CC[NH+](C)CC1 ZINC001224451565 1096216434 /nfs/dbraw/zinc/21/64/34/1096216434.db2.gz XYTQGQLJPQRYTE-YLJYHZDGSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+]1CCC(CO[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001224452253 1096216824 /nfs/dbraw/zinc/21/68/24/1096216824.db2.gz DZEFZCBRQWRGMK-SFHVURJKSA-N 2 1 320.452 3.149 20 0 DGADMP C[C@H]([NH2+]CCSc1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119731277 1096251735 /nfs/dbraw/zinc/25/17/35/1096251735.db2.gz CRVXAIASSXODKD-JKSUJKDBSA-N 2 1 319.518 3.416 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001224704574 1096268016 /nfs/dbraw/zinc/26/80/16/1096268016.db2.gz ARRQWGIHHITJDN-IAGOWNOFSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224704574 1096268020 /nfs/dbraw/zinc/26/80/20/1096268020.db2.gz ARRQWGIHHITJDN-IAGOWNOFSA-N 2 1 322.880 3.415 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224704574 1096268028 /nfs/dbraw/zinc/26/80/28/1096268028.db2.gz ARRQWGIHHITJDN-IAGOWNOFSA-N 2 1 322.880 3.415 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC001224706039 1096268440 /nfs/dbraw/zinc/26/84/40/1096268440.db2.gz IZEMDUUBILPGDU-MSOLQXFVSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224706039 1096268445 /nfs/dbraw/zinc/26/84/45/1096268445.db2.gz IZEMDUUBILPGDU-MSOLQXFVSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224706039 1096268449 /nfs/dbraw/zinc/26/84/49/1096268449.db2.gz IZEMDUUBILPGDU-MSOLQXFVSA-N 2 1 320.452 3.291 20 0 DGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224749681 1096278134 /nfs/dbraw/zinc/27/81/34/1096278134.db2.gz LUUUDHGOFPJJKF-QZTJIDSGSA-N 2 1 317.477 3.110 20 0 DGADMP CCCC[NH+](CCCC)CCCO[C@H](C)C[NH+]1CCOCC1 ZINC001224752077 1096278697 /nfs/dbraw/zinc/27/86/97/1096278697.db2.gz BCUQPQNHFATWHI-GOSISDBHSA-N 2 1 314.514 3.016 20 0 DGADMP CC[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224825828 1096294247 /nfs/dbraw/zinc/29/42/47/1096294247.db2.gz MKEDHGDFMQDAEC-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@H](OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224825828 1096294257 /nfs/dbraw/zinc/29/42/57/1096294257.db2.gz MKEDHGDFMQDAEC-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+]1CCC[C@H](OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224825828 1096294263 /nfs/dbraw/zinc/29/42/63/1096294263.db2.gz MKEDHGDFMQDAEC-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[NH+]1CC(OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224830085 1096296072 /nfs/dbraw/zinc/29/60/72/1096296072.db2.gz MECBKTGOTRWAOF-GOSISDBHSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)[NH+]1CC(OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830085 1096296078 /nfs/dbraw/zinc/29/60/78/1096296078.db2.gz MECBKTGOTRWAOF-GOSISDBHSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+]1CCC(OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224832615 1096296658 /nfs/dbraw/zinc/29/66/58/1096296658.db2.gz WJFUZTARPIRUSL-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1ccc(N2CCC[C@H](OCCC[NH+]3CCCCC3)C2)[nH+]c1 ZINC001224861539 1096303506 /nfs/dbraw/zinc/30/35/06/1096303506.db2.gz XPWKZDOAKNWNFX-SFHVURJKSA-N 2 1 317.477 3.251 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCCC[NH+](C)C ZINC001224990909 1096329982 /nfs/dbraw/zinc/32/99/82/1096329982.db2.gz ITVRQPYKULRILE-HKUYNNGSSA-N 2 1 304.478 3.255 20 0 DGADMP C[NH+](C)CCCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001225000235 1096332869 /nfs/dbraw/zinc/33/28/69/1096332869.db2.gz FSZJZMAMTOZTDQ-XUVXKRRUSA-N 2 1 316.489 3.255 20 0 DGADMP C[NH+](C)CC[C@@H](Oc1cccnc1C[NH+](C)C)c1ccccc1 ZINC001225277428 1096381743 /nfs/dbraw/zinc/38/17/43/1096381743.db2.gz IRADHDOCDXWFRL-GOSISDBHSA-N 2 1 313.445 3.215 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)CC1 ZINC001171388558 1096638203 /nfs/dbraw/zinc/63/82/03/1096638203.db2.gz OBAUXJMXTWVFMD-INIZCTEOSA-N 2 1 320.427 3.240 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171454244 1096887790 /nfs/dbraw/zinc/88/77/90/1096887790.db2.gz RTADAQMHSXVGIJ-XJKSGUPXSA-N 2 1 308.416 3.144 20 0 DGADMP C[NH+]1C(C)(C)CC(n2cc(CC[NH3+])c3cnccc32)CC1(C)C ZINC001171626080 1096938908 /nfs/dbraw/zinc/93/89/08/1096938908.db2.gz VFAXXDRKZKZKEM-UHFFFAOYSA-N 2 1 314.477 3.361 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171726403 1096955666 /nfs/dbraw/zinc/95/56/66/1096955666.db2.gz FQEHKCVDDPBGCN-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](CC)CCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171726403 1096955680 /nfs/dbraw/zinc/95/56/80/1096955680.db2.gz FQEHKCVDDPBGCN-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171727348 1096955833 /nfs/dbraw/zinc/95/58/33/1096955833.db2.gz BYBHRJOHXWEWJX-QAPCUYQASA-N 2 1 308.429 3.049 20 0 DGADMP C[C@H]1C[C@H](n2c3ccccc3nc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727387 1096956227 /nfs/dbraw/zinc/95/62/27/1096956227.db2.gz VLETUFKLLZVXFR-RDJZCZTQSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](n2ncc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171730409 1096957050 /nfs/dbraw/zinc/95/70/50/1096957050.db2.gz YQKSVCFYTOHMNU-BEFAXECRSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001171759292 1096964179 /nfs/dbraw/zinc/96/41/79/1096964179.db2.gz IKIADHFLRCEJFR-NZSAHSFTSA-N 2 1 324.472 3.186 20 0 DGADMP CCCN(CCC[NH+](C)C)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171765941 1096966180 /nfs/dbraw/zinc/96/61/80/1096966180.db2.gz AOXDYJICQVTPQZ-QUCCMNQESA-N 2 1 317.521 3.313 20 0 DGADMP CC(C)[N@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001171767979 1096967526 /nfs/dbraw/zinc/96/75/26/1096967526.db2.gz QPJTWRJYYYWLEN-WSTZPKSXSA-N 2 1 315.505 3.064 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171772187 1096968586 /nfs/dbraw/zinc/96/85/86/1096968586.db2.gz AHVKBWGGWNGUGW-HKUYNNGSSA-N 2 1 324.443 3.405 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171963983 1097006505 /nfs/dbraw/zinc/00/65/05/1097006505.db2.gz JKYAIFVOZQFRBZ-QRVBRYPASA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cc(C[NH3+])nn1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968099 1097008387 /nfs/dbraw/zinc/00/83/87/1097008387.db2.gz ODDSCBOTSYFTOB-SFHVURJKSA-N 2 1 312.461 3.266 20 0 DGADMP CCOC(=O)C1(C)CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001171935751 1097012323 /nfs/dbraw/zinc/01/23/23/1097012323.db2.gz HZGHTOPLHWLDMQ-UHFFFAOYSA-N 2 1 324.509 3.482 20 0 DGADMP CC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171991205 1097016241 /nfs/dbraw/zinc/01/62/41/1097016241.db2.gz TZONPPMAHDGZAD-MOPGFXCFSA-N 2 1 314.473 3.483 20 0 DGADMP CC(=O)[C@@H]1CCCN1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991205 1097016246 /nfs/dbraw/zinc/01/62/46/1097016246.db2.gz TZONPPMAHDGZAD-MOPGFXCFSA-N 2 1 314.473 3.483 20 0 DGADMP CC(=O)[C@@H]1CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991205 1097016251 /nfs/dbraw/zinc/01/62/51/1097016251.db2.gz TZONPPMAHDGZAD-MOPGFXCFSA-N 2 1 314.473 3.483 20 0 DGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969818 1097019613 /nfs/dbraw/zinc/01/96/13/1097019613.db2.gz XHVFZCPIKFPWLV-QGZVFWFLSA-N 2 1 304.478 3.444 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153240 1097019708 /nfs/dbraw/zinc/01/97/08/1097019708.db2.gz CITMWWLQWJTESE-HOTGVXAUSA-N 2 1 316.461 3.041 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153240 1097019714 /nfs/dbraw/zinc/01/97/14/1097019714.db2.gz CITMWWLQWJTESE-HOTGVXAUSA-N 2 1 316.461 3.041 20 0 DGADMP CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970385 1097019968 /nfs/dbraw/zinc/01/99/68/1097019968.db2.gz CEOIUGKPQGYGRX-QZTJIDSGSA-N 2 1 304.478 3.180 20 0 DGADMP CC(C)N(CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970091 1097020717 /nfs/dbraw/zinc/02/07/17/1097020717.db2.gz YJTFRTDKJVHGLZ-IBGZPJMESA-N 2 1 317.521 3.489 20 0 DGADMP CC(C)[N@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171970091 1097020723 /nfs/dbraw/zinc/02/07/23/1097020723.db2.gz YJTFRTDKJVHGLZ-IBGZPJMESA-N 2 1 317.521 3.489 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171970091 1097020730 /nfs/dbraw/zinc/02/07/30/1097020730.db2.gz YJTFRTDKJVHGLZ-IBGZPJMESA-N 2 1 317.521 3.489 20 0 DGADMP CC1(C)C[C@H]([NH2+]C2(CO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171972076 1097021693 /nfs/dbraw/zinc/02/16/93/1097021693.db2.gz NLFKCHVCEKYJRT-GOSISDBHSA-N 2 1 316.489 3.324 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CC2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001171972064 1097021725 /nfs/dbraw/zinc/02/17/25/1097021725.db2.gz MWCQATQDFZBRCN-KRWDZBQOSA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171971500 1097021956 /nfs/dbraw/zinc/02/19/56/1097021956.db2.gz IRFAOTUDEMWOEN-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171974154 1097023166 /nfs/dbraw/zinc/02/31/66/1097023166.db2.gz CKOAJBABLUZSQG-GBESFXJTSA-N 2 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974154 1097023171 /nfs/dbraw/zinc/02/31/71/1097023171.db2.gz CKOAJBABLUZSQG-GBESFXJTSA-N 3 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171974154 1097023177 /nfs/dbraw/zinc/02/31/77/1097023177.db2.gz CKOAJBABLUZSQG-GBESFXJTSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977328 1097026600 /nfs/dbraw/zinc/02/66/00/1097026600.db2.gz QBLNHYWVBKDPHH-WDSOQIARSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977328 1097026604 /nfs/dbraw/zinc/02/66/04/1097026604.db2.gz QBLNHYWVBKDPHH-WDSOQIARSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977328 1097026609 /nfs/dbraw/zinc/02/66/09/1097026609.db2.gz QBLNHYWVBKDPHH-WDSOQIARSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977328 1097026613 /nfs/dbraw/zinc/02/66/13/1097026613.db2.gz QBLNHYWVBKDPHH-WDSOQIARSA-N 2 1 316.489 3.275 20 0 DGADMP CC[N@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977978 1097026623 /nfs/dbraw/zinc/02/66/23/1097026623.db2.gz VOSPCOJEJSPCOH-GOSISDBHSA-N 2 1 304.478 3.398 20 0 DGADMP CC[N@@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977978 1097026626 /nfs/dbraw/zinc/02/66/26/1097026626.db2.gz VOSPCOJEJSPCOH-GOSISDBHSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977978 1097026630 /nfs/dbraw/zinc/02/66/30/1097026630.db2.gz VOSPCOJEJSPCOH-GOSISDBHSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977978 1097026634 /nfs/dbraw/zinc/02/66/34/1097026634.db2.gz VOSPCOJEJSPCOH-GOSISDBHSA-N 2 1 304.478 3.398 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171983443 1097027200 /nfs/dbraw/zinc/02/72/00/1097027200.db2.gz XFDYJWIXJXDLCE-QGZVFWFLSA-N 2 1 304.503 3.478 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001171983443 1097027203 /nfs/dbraw/zinc/02/72/03/1097027203.db2.gz XFDYJWIXJXDLCE-QGZVFWFLSA-N 2 1 304.503 3.478 20 0 DGADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980110 1097028261 /nfs/dbraw/zinc/02/82/61/1097028261.db2.gz PDECEDZDKVDOHX-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980110 1097028266 /nfs/dbraw/zinc/02/82/66/1097028266.db2.gz PDECEDZDKVDOHX-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980110 1097028273 /nfs/dbraw/zinc/02/82/73/1097028273.db2.gz PDECEDZDKVDOHX-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CN([C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987864 1097028715 /nfs/dbraw/zinc/02/87/15/1097028715.db2.gz KYEMSLLLPPHNOH-RTBURBONSA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987864 1097028719 /nfs/dbraw/zinc/02/87/19/1097028719.db2.gz KYEMSLLLPPHNOH-RTBURBONSA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987864 1097028724 /nfs/dbraw/zinc/02/87/24/1097028724.db2.gz KYEMSLLLPPHNOH-RTBURBONSA-N 2 1 315.505 3.066 20 0 DGADMP COc1c(F)cc(F)cc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098126 1097041087 /nfs/dbraw/zinc/04/10/87/1097041087.db2.gz ADLLLOVXBVBVQV-QDMKHBRRSA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)cc(F)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098126 1097041094 /nfs/dbraw/zinc/04/10/94/1097041094.db2.gz ADLLLOVXBVBVQV-QDMKHBRRSA-N 2 1 310.388 3.078 20 0 DGADMP COc1c(F)cc(F)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098126 1097041101 /nfs/dbraw/zinc/04/11/01/1097041101.db2.gz ADLLLOVXBVBVQV-QDMKHBRRSA-N 2 1 310.388 3.078 20 0 DGADMP [NH3+]CCc1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062909 1097042122 /nfs/dbraw/zinc/04/21/22/1097042122.db2.gz AMOYLIKHABTEOD-BWTSREIZSA-N 2 1 324.472 3.143 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100932 1097042666 /nfs/dbraw/zinc/04/26/66/1097042666.db2.gz UPPBTQSAIHTIGB-PILAGYSTSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100932 1097042670 /nfs/dbraw/zinc/04/26/70/1097042670.db2.gz UPPBTQSAIHTIGB-PILAGYSTSA-N 2 1 316.445 3.139 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066336 1097043869 /nfs/dbraw/zinc/04/38/69/1097043869.db2.gz VQFOACJSPRSZEG-GFXZNLHSSA-N 2 1 314.473 3.339 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066338 1097044022 /nfs/dbraw/zinc/04/40/22/1097044022.db2.gz VQFOACJSPRSZEG-URWLHXRESA-N 2 1 314.473 3.339 20 0 DGADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172104083 1097053048 /nfs/dbraw/zinc/05/30/48/1097053048.db2.gz ZQOYGUBPNGDYRF-WCXIOVBPSA-N 2 1 318.461 3.067 20 0 DGADMP CCCC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228112761 1097053762 /nfs/dbraw/zinc/05/37/62/1097053762.db2.gz JXEDRNBEGXJENB-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3ccc(F)cc31)C2 ZINC001172108698 1097053976 /nfs/dbraw/zinc/05/39/76/1097053976.db2.gz YJPCYMSNYMWHIS-FVQHAEBGSA-N 2 1 315.436 3.469 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3c(F)cccc31)C2 ZINC001172107990 1097054310 /nfs/dbraw/zinc/05/43/10/1097054310.db2.gz NFOZFAAOMAHATA-ZJOBFFGXSA-N 2 1 304.409 3.254 20 0 DGADMP Cc1ccccc1OC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107018 1097054389 /nfs/dbraw/zinc/05/43/89/1097054389.db2.gz SGZWTAAECJDIJT-TVFCKZIOSA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1OC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107018 1097054394 /nfs/dbraw/zinc/05/43/94/1097054394.db2.gz SGZWTAAECJDIJT-TVFCKZIOSA-N 2 1 302.462 3.367 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)C2 ZINC001172105798 1097054730 /nfs/dbraw/zinc/05/47/30/1097054730.db2.gz KMHNQOVUQWIXOZ-LVEJAMMSSA-N 3 1 307.526 3.135 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)C2 ZINC001172105798 1097054736 /nfs/dbraw/zinc/05/47/36/1097054736.db2.gz KMHNQOVUQWIXOZ-LVEJAMMSSA-N 3 1 307.526 3.135 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105471 1097054881 /nfs/dbraw/zinc/05/48/81/1097054881.db2.gz HZOSHVGAZNCBED-FJIDUMEYSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)C2 ZINC001172105471 1097054885 /nfs/dbraw/zinc/05/48/85/1097054885.db2.gz HZOSHVGAZNCBED-FJIDUMEYSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c(-c3ccccc3)cnc1C[NH3+])C2 ZINC001172111110 1097056200 /nfs/dbraw/zinc/05/62/00/1097056200.db2.gz SCLUJRIZBZDIAN-FVQHAEBGSA-N 2 1 310.445 3.197 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c(C[NH3+])cc3cccc(F)c31)C2 ZINC001172110543 1097056550 /nfs/dbraw/zinc/05/65/50/1097056550.db2.gz OHVXOHUIKNFRFT-QDMKHBRRSA-N 2 1 301.409 3.427 20 0 DGADMP COc1cccnc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172109099 1097056658 /nfs/dbraw/zinc/05/66/58/1097056658.db2.gz GNJOYQZDQDRYRF-DFGXFYAUSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccnc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172109099 1097056664 /nfs/dbraw/zinc/05/66/64/1097056664.db2.gz GNJOYQZDQDRYRF-DFGXFYAUSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C2 ZINC001172109440 1097057110 /nfs/dbraw/zinc/05/71/10/1097057110.db2.gz DCLRCHNQCPZSPG-BTTYYORXSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C2 ZINC001172109440 1097057117 /nfs/dbraw/zinc/05/71/17/1097057117.db2.gz DCLRCHNQCPZSPG-BTTYYORXSA-N 2 1 313.367 3.205 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1ccncc1)C2 ZINC001172110268 1097057680 /nfs/dbraw/zinc/05/76/80/1097057680.db2.gz JHHDYOLZCIKMKW-NNZMDNLPSA-N 2 1 301.478 3.255 20 0 DGADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172112139 1097058215 /nfs/dbraw/zinc/05/82/15/1097058215.db2.gz SASFIDOBGQVVBP-OSYLJGHBSA-N 2 1 301.478 3.273 20 0 DGADMP COc1ccc2c(c1)c(C[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112411 1097058267 /nfs/dbraw/zinc/05/82/67/1097058267.db2.gz VXCGXEDUUPWILR-ZSHCYNCHSA-N 2 1 313.445 3.296 20 0 DGADMP COc1ccc2c(c1)c(C[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112410 1097058365 /nfs/dbraw/zinc/05/83/65/1097058365.db2.gz VXCGXEDUUPWILR-MUJYYYPQSA-N 2 1 313.445 3.296 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113039 1097060066 /nfs/dbraw/zinc/06/00/66/1097060066.db2.gz FIPNCYUTPIBZRF-FNLKRUPLSA-N 3 1 321.553 3.492 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172113039 1097060072 /nfs/dbraw/zinc/06/00/72/1097060072.db2.gz FIPNCYUTPIBZRF-FNLKRUPLSA-N 2 1 321.553 3.492 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(-c3ccc(C[NH3+])cc3)c1)C2 ZINC001172112941 1097060231 /nfs/dbraw/zinc/06/02/31/1097060231.db2.gz HBPNYOLVOBZFSX-PIIMJCKOSA-N 2 1 310.445 3.197 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114637 1097061958 /nfs/dbraw/zinc/06/19/58/1097061958.db2.gz OWUIRLPDGKJGDB-YYAJDYIMSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114637 1097061961 /nfs/dbraw/zinc/06/19/61/1097061961.db2.gz OWUIRLPDGKJGDB-YYAJDYIMSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]1COCc1ccccc1)C2 ZINC001172120938 1097063522 /nfs/dbraw/zinc/06/35/22/1097063522.db2.gz AEPGTPACMDVVMS-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]1COCc1ccccc1)C2 ZINC001172120938 1097063527 /nfs/dbraw/zinc/06/35/27/1097063527.db2.gz AEPGTPACMDVVMS-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]1COCc1ccccc1)C2 ZINC001172120938 1097063532 /nfs/dbraw/zinc/06/35/32/1097063532.db2.gz AEPGTPACMDVVMS-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001172253281 1097091868 /nfs/dbraw/zinc/09/18/68/1097091868.db2.gz JQQCDAAUNIDPQH-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001172253281 1097091873 /nfs/dbraw/zinc/09/18/73/1097091873.db2.gz JQQCDAAUNIDPQH-GOSISDBHSA-N 2 1 308.510 3.390 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163867 1097093584 /nfs/dbraw/zinc/09/35/84/1097093584.db2.gz GXACGUUJVNFKBO-ZWKOTPCHSA-N 2 1 316.420 3.500 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163867 1097093589 /nfs/dbraw/zinc/09/35/89/1097093589.db2.gz GXACGUUJVNFKBO-ZWKOTPCHSA-N 2 1 316.420 3.500 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001172256197 1097094231 /nfs/dbraw/zinc/09/42/31/1097094231.db2.gz ROQURXOSMPRZMT-INIZCTEOSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001172256197 1097094236 /nfs/dbraw/zinc/09/42/36/1097094236.db2.gz ROQURXOSMPRZMT-INIZCTEOSA-N 2 1 320.452 3.116 20 0 DGADMP CCOCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172409557 1097131637 /nfs/dbraw/zinc/13/16/37/1097131637.db2.gz WUJASSZTMZTEPK-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172447446 1097157057 /nfs/dbraw/zinc/15/70/57/1097157057.db2.gz CPURLLLYBWZMKV-YSIASYRMSA-N 2 1 316.489 3.254 20 0 DGADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172447446 1097157062 /nfs/dbraw/zinc/15/70/62/1097157062.db2.gz CPURLLLYBWZMKV-YSIASYRMSA-N 2 1 316.489 3.254 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172466643 1097163475 /nfs/dbraw/zinc/16/34/75/1097163475.db2.gz NSGJRRSMOWVHQL-MRXNPFEDSA-N 2 1 319.493 3.380 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172592503 1097189495 /nfs/dbraw/zinc/18/94/95/1097189495.db2.gz OAYZYXKAMCXRMS-IRXDYDNUSA-N 2 1 312.498 3.210 20 0 DGADMP C[N@H+]1CC[C@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C1 ZINC001228823636 1097198251 /nfs/dbraw/zinc/19/82/51/1097198251.db2.gz NMJOMYDJCSIETM-INIZCTEOSA-N 2 1 313.445 3.060 20 0 DGADMP CC[NH+]1CC(Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C1 ZINC001228823133 1097198314 /nfs/dbraw/zinc/19/83/14/1097198314.db2.gz DLWYYKRUDQKXEX-UHFFFAOYSA-N 2 1 313.445 3.060 20 0 DGADMP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719095 1097214763 /nfs/dbraw/zinc/21/47/63/1097214763.db2.gz ZNRJDFUWGUAGNT-QGZVFWFLSA-N 2 1 304.865 3.401 20 0 DGADMP C[N@H+]1CCc2cc(O[C@@H]3CC[NH+](Cc4ccccc4)C3)ccc2C1 ZINC001228937095 1097221541 /nfs/dbraw/zinc/22/15/41/1097221541.db2.gz VNYSERUPGPCHPA-OAQYLSRUSA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2cc(O[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2C1 ZINC001228937095 1097221546 /nfs/dbraw/zinc/22/15/46/1097221546.db2.gz VNYSERUPGPCHPA-OAQYLSRUSA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2cc(O[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2C1 ZINC001228937095 1097221548 /nfs/dbraw/zinc/22/15/48/1097221548.db2.gz VNYSERUPGPCHPA-OAQYLSRUSA-N 2 1 322.452 3.328 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172773331 1097237855 /nfs/dbraw/zinc/23/78/55/1097237855.db2.gz NDKPKPQWKBIAKZ-SQNIBIBYSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172773331 1097237859 /nfs/dbraw/zinc/23/78/59/1097237859.db2.gz NDKPKPQWKBIAKZ-SQNIBIBYSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172773331 1097237861 /nfs/dbraw/zinc/23/78/61/1097237861.db2.gz NDKPKPQWKBIAKZ-SQNIBIBYSA-N 2 1 324.509 3.446 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001172781670 1097241120 /nfs/dbraw/zinc/24/11/20/1097241120.db2.gz XSFPRHGGVVKEKG-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001172781670 1097241125 /nfs/dbraw/zinc/24/11/25/1097241125.db2.gz XSFPRHGGVVKEKG-BRWVUGGUSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001172793578 1097244148 /nfs/dbraw/zinc/24/41/48/1097244148.db2.gz ZPMTYHCKFJRATC-MSOLQXFVSA-N 2 1 324.509 3.161 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001172928858 1097284441 /nfs/dbraw/zinc/28/44/41/1097284441.db2.gz MLXDTDFPQSKBEM-LSDHHAIUSA-N 2 1 306.425 3.033 20 0 DGADMP CO[C@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172950957 1097299339 /nfs/dbraw/zinc/29/93/39/1097299339.db2.gz OFGOFOZYHOXNMJ-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172950957 1097299346 /nfs/dbraw/zinc/29/93/46/1097299346.db2.gz OFGOFOZYHOXNMJ-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172950957 1097299351 /nfs/dbraw/zinc/29/93/51/1097299351.db2.gz OFGOFOZYHOXNMJ-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H](C)C1 ZINC001173044399 1097311673 /nfs/dbraw/zinc/31/16/73/1097311673.db2.gz CDZBKXPTOJIREX-WMZOPIPTSA-N 2 1 308.510 3.434 20 0 DGADMP CCCOC1CCC([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001173094392 1097320417 /nfs/dbraw/zinc/32/04/17/1097320417.db2.gz WZUDHMCAVQIRPM-UHFFFAOYSA-N 2 1 317.477 3.069 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001173114587 1097332510 /nfs/dbraw/zinc/33/25/10/1097332510.db2.gz QBUGCLWKTYPESF-JCYILVPMSA-N 2 1 324.509 3.446 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC001173112215 1097332883 /nfs/dbraw/zinc/33/28/83/1097332883.db2.gz STSOCGQXULYLJV-FAFZWHIHSA-N 2 1 317.477 3.188 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CC)CCN2CCCCC2)CC1 ZINC001173112406 1097333013 /nfs/dbraw/zinc/33/30/13/1097333013.db2.gz AJVNGWCHMVKWDA-UHFFFAOYSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC001173111630 1097333124 /nfs/dbraw/zinc/33/31/24/1097333124.db2.gz IUJLRTLKDKTASB-CTWPCTMYSA-N 2 1 307.526 3.200 20 0 DGADMP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173114841 1097333851 /nfs/dbraw/zinc/33/38/51/1097333851.db2.gz UNVCFDRCKXUYMX-AQEOSJORSA-N 2 1 324.509 3.303 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173147310 1097348083 /nfs/dbraw/zinc/34/80/83/1097348083.db2.gz VTLXSVIMXQXFHP-OAHLLOKOSA-N 2 1 307.507 3.197 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC001173173540 1097354873 /nfs/dbraw/zinc/35/48/73/1097354873.db2.gz LCYAJXSCRJULJY-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001173173540 1097354878 /nfs/dbraw/zinc/35/48/78/1097354878.db2.gz LCYAJXSCRJULJY-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173173540 1097354884 /nfs/dbraw/zinc/35/48/84/1097354884.db2.gz LCYAJXSCRJULJY-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173198606 1097359992 /nfs/dbraw/zinc/35/99/92/1097359992.db2.gz WTQKNWLIDXNJIC-MUYFXNHWSA-N 2 1 302.462 3.451 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001173266025 1097390012 /nfs/dbraw/zinc/39/00/12/1097390012.db2.gz XRBHSRDJUPBJFJ-APWZRJJASA-N 2 1 302.462 3.187 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001173440279 1097440202 /nfs/dbraw/zinc/44/02/02/1097440202.db2.gz ALCZUHKZCOAUKQ-HZPDHXFCSA-N 2 1 310.482 3.105 20 0 DGADMP COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001173440279 1097440206 /nfs/dbraw/zinc/44/02/06/1097440206.db2.gz ALCZUHKZCOAUKQ-HZPDHXFCSA-N 2 1 310.482 3.105 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445573 1097448869 /nfs/dbraw/zinc/44/88/69/1097448869.db2.gz MGBNLYBYRHHDLA-ZOBUZTSGSA-N 2 1 310.482 3.233 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001173455660 1097451836 /nfs/dbraw/zinc/45/18/36/1097451836.db2.gz SKKHUTDLMWAZSD-QZTJIDSGSA-N 2 1 324.509 3.449 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277452162 1097467820 /nfs/dbraw/zinc/46/78/20/1097467820.db2.gz MASUZUDMMPEGDR-INIZCTEOSA-N 2 1 318.509 3.241 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633863 1097480939 /nfs/dbraw/zinc/48/09/39/1097480939.db2.gz MYZPLNOGZGYTMU-BRSBDYLESA-N 2 1 322.493 3.090 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCCCOC)cc1 ZINC001231507358 1097767223 /nfs/dbraw/zinc/76/72/23/1097767223.db2.gz BQZDOYLPVQSHJY-UHFFFAOYSA-N 2 1 322.493 3.266 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3cnccc23)CC1 ZINC001231518329 1097769953 /nfs/dbraw/zinc/76/99/53/1097769953.db2.gz FTBLBRUXCMVYAK-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP COCc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001231693962 1097819316 /nfs/dbraw/zinc/81/93/16/1097819316.db2.gz ZFWMJMWWFQJUGE-HOTGVXAUSA-N 2 1 306.450 3.265 20 0 DGADMP COCc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001231693962 1097819324 /nfs/dbraw/zinc/81/93/24/1097819324.db2.gz ZFWMJMWWFQJUGE-HOTGVXAUSA-N 2 1 306.450 3.265 20 0 DGADMP COCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001231693962 1097819333 /nfs/dbraw/zinc/81/93/33/1097819333.db2.gz ZFWMJMWWFQJUGE-HOTGVXAUSA-N 2 1 306.450 3.265 20 0 DGADMP COCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001231693962 1097819339 /nfs/dbraw/zinc/81/93/39/1097819339.db2.gz ZFWMJMWWFQJUGE-HOTGVXAUSA-N 2 1 306.450 3.265 20 0 DGADMP c1c(C[N@H+]2CC[C@@H]2COCc2ccccc2)[nH]c2cc[nH+]cc12 ZINC001232014891 1097918623 /nfs/dbraw/zinc/91/86/23/1097918623.db2.gz WJBRVRIDCFLVBN-GOSISDBHSA-N 2 1 307.397 3.354 20 0 DGADMP c1c(C[N@@H+]2CC[C@@H]2COCc2ccccc2)[nH]c2cc[nH+]cc12 ZINC001232014891 1097918627 /nfs/dbraw/zinc/91/86/27/1097918627.db2.gz WJBRVRIDCFLVBN-GOSISDBHSA-N 2 1 307.397 3.354 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001232149684 1097951589 /nfs/dbraw/zinc/95/15/89/1097951589.db2.gz XGURTHHOKHNOHM-UHFFFAOYSA-N 2 1 314.404 3.151 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001232149684 1097951594 /nfs/dbraw/zinc/95/15/94/1097951594.db2.gz XGURTHHOKHNOHM-UHFFFAOYSA-N 2 1 314.404 3.151 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(C1CC[NH+](C)CC1)C2 ZINC001277625243 1097958717 /nfs/dbraw/zinc/95/87/17/1097958717.db2.gz RVRQXYMHVKUDMY-QGZVFWFLSA-N 2 1 307.526 3.057 20 0 DGADMP COCC[N@H+](Cc1ccc(C)cc1Cl)CC1CC[NH+](C)CC1 ZINC001175202685 1097965145 /nfs/dbraw/zinc/96/51/45/1097965145.db2.gz HFNYLGSRQPLBEX-UHFFFAOYSA-N 2 1 324.896 3.439 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccnc4c(F)cccc34)C[C@H]2C1 ZINC001232213076 1097968312 /nfs/dbraw/zinc/96/83/12/1097968312.db2.gz FAPMGLRBWMWQIN-HZPDHXFCSA-N 2 1 313.420 3.148 20 0 DGADMP CCOc1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1C ZINC001232307966 1098000512 /nfs/dbraw/zinc/00/05/12/1098000512.db2.gz DEDXHPVIQDJUKU-UHFFFAOYSA-N 2 1 319.493 3.341 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC001232556363 1098076075 /nfs/dbraw/zinc/07/60/75/1098076075.db2.gz LBAOGFKINZFLMD-UHFFFAOYSA-N 2 1 322.412 3.270 20 0 DGADMP c1cc2c(cn1)cncc2C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232651032 1098107031 /nfs/dbraw/zinc/10/70/31/1098107031.db2.gz LHERBDUYGOOBKV-IBGZPJMESA-N 2 1 324.472 3.470 20 0 DGADMP c1cc2c(cn1)cncc2C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232651032 1098107034 /nfs/dbraw/zinc/10/70/34/1098107034.db2.gz LHERBDUYGOOBKV-IBGZPJMESA-N 2 1 324.472 3.470 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@@H]21 ZINC001277695447 1098107680 /nfs/dbraw/zinc/10/76/80/1098107680.db2.gz ZBKKBFPOLXBOCF-NEWSRXKRSA-N 2 1 317.477 3.187 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@@H]21 ZINC001277695447 1098107682 /nfs/dbraw/zinc/10/76/82/1098107682.db2.gz ZBKKBFPOLXBOCF-NEWSRXKRSA-N 2 1 317.477 3.187 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cncc2cnccc21 ZINC001232651554 1098107722 /nfs/dbraw/zinc/10/77/22/1098107722.db2.gz ADFVZOWZBXKKRN-OALUTQOASA-N 2 1 324.472 3.469 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cncc2cnccc21 ZINC001232651554 1098107723 /nfs/dbraw/zinc/10/77/23/1098107723.db2.gz ADFVZOWZBXKKRN-OALUTQOASA-N 2 1 324.472 3.469 20 0 DGADMP CNc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232671520 1098111157 /nfs/dbraw/zinc/11/11/57/1098111157.db2.gz MNOPHXPSSSAQQO-WOJBJXKFSA-N 2 1 321.468 3.292 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(Br)[nH]1)C1CCN(C)CC1 ZINC001232691938 1098116040 /nfs/dbraw/zinc/11/60/40/1098116040.db2.gz MISBISWCHRWONO-UHFFFAOYSA-N 2 1 314.271 3.082 20 0 DGADMP CC[NH+]1CCN(c2ccc(Nc3c[nH+]c4ccccn34)cc2)CC1 ZINC001175782820 1098170174 /nfs/dbraw/zinc/17/01/74/1098170174.db2.gz FMDRMIWOFGIARY-UHFFFAOYSA-N 2 1 321.428 3.220 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176022907 1098235093 /nfs/dbraw/zinc/23/50/93/1098235093.db2.gz CWMZBVHSNJCDOV-QGZVFWFLSA-N 2 1 323.525 3.093 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(Cc3csc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001233176176 1098245370 /nfs/dbraw/zinc/24/53/70/1098245370.db2.gz YFYPCNCWLHCYPE-NEPJUHHUSA-N 2 1 304.381 3.150 20 0 DGADMP Cc1c(Br)ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC001233221951 1098253751 /nfs/dbraw/zinc/25/37/51/1098253751.db2.gz HKXPFBJXSWFCCQ-GASCZTMLSA-N 2 1 323.278 3.059 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001206269141 1098296959 /nfs/dbraw/zinc/29/69/59/1098296959.db2.gz CNYTZJFRWDUASH-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP C[N@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC001233431895 1098330319 /nfs/dbraw/zinc/33/03/19/1098330319.db2.gz PGVQIYZFNKZMJA-UHFFFAOYSA-N 2 1 321.465 3.045 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](C[C@H]4CC(C)(C)OC4(C)C)C[C@@]2(C1)CCCC3 ZINC001177014756 1098463029 /nfs/dbraw/zinc/46/30/29/1098463029.db2.gz AKTHRNBOIRHBSP-AHRSYUTCSA-N 2 1 320.521 3.388 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](C[C@H]4CC(C)(C)OC4(C)C)C[C@@]2(C1)CCCC3 ZINC001177014756 1098463033 /nfs/dbraw/zinc/46/30/33/1098463033.db2.gz AKTHRNBOIRHBSP-AHRSYUTCSA-N 2 1 320.521 3.388 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](C[C@H]4CC(C)(C)OC4(C)C)C[C@@]2(C1)CCCC3 ZINC001177014756 1098463035 /nfs/dbraw/zinc/46/30/35/1098463035.db2.gz AKTHRNBOIRHBSP-AHRSYUTCSA-N 2 1 320.521 3.388 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2scnc2c1 ZINC001177231449 1098498618 /nfs/dbraw/zinc/49/86/18/1098498618.db2.gz QVNLIJRXCSWTDD-GFCCVEGCSA-N 2 1 300.431 3.227 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)CC1(C)C ZINC001177669335 1098574631 /nfs/dbraw/zinc/57/46/31/1098574631.db2.gz VOCRFFNYROMFOZ-RBUKOAKNSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1(C)C ZINC001177669335 1098574638 /nfs/dbraw/zinc/57/46/38/1098574638.db2.gz VOCRFFNYROMFOZ-RBUKOAKNSA-N 2 1 321.553 3.494 20 0 DGADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1(C)C ZINC001177669335 1098574645 /nfs/dbraw/zinc/57/46/45/1098574645.db2.gz VOCRFFNYROMFOZ-RBUKOAKNSA-N 2 1 321.553 3.494 20 0 DGADMP CC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277888418 1098661894 /nfs/dbraw/zinc/66/18/94/1098661894.db2.gz JCFDCRVQKCSWFZ-ZDUSSCGKSA-N 2 1 320.399 3.094 20 0 DGADMP CCOc1ccc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206317553 1098715202 /nfs/dbraw/zinc/71/52/02/1098715202.db2.gz GYFSYRYTAHFQLJ-QGZVFWFLSA-N 2 1 312.404 3.314 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234980062 1098734494 /nfs/dbraw/zinc/73/44/94/1098734494.db2.gz GXMWJIMXGRGKLO-HDICACEKSA-N 2 1 308.425 3.013 20 0 DGADMP Clc1ccc2[nH]cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001234990688 1098735283 /nfs/dbraw/zinc/73/52/83/1098735283.db2.gz DENDYTRXZSRNLD-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001234990688 1098735297 /nfs/dbraw/zinc/73/52/97/1098735297.db2.gz DENDYTRXZSRNLD-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C(C)C ZINC001234992490 1098736193 /nfs/dbraw/zinc/73/61/93/1098736193.db2.gz JTFFJXWBGJPETH-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C(C)C ZINC001234992490 1098736198 /nfs/dbraw/zinc/73/61/98/1098736198.db2.gz JTFFJXWBGJPETH-LJQANCHMSA-N 2 1 302.462 3.394 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC001235001880 1098744675 /nfs/dbraw/zinc/74/46/75/1098744675.db2.gz WEJPNOVWVUJENF-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC001235001880 1098744684 /nfs/dbraw/zinc/74/46/84/1098744684.db2.gz WEJPNOVWVUJENF-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP CC/C=C\CC[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001235018031 1098753629 /nfs/dbraw/zinc/75/36/29/1098753629.db2.gz GIKWQHFVZZPLGN-PLNGDYQASA-N 2 1 314.473 3.488 20 0 DGADMP Fc1cc(F)c(CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235039990 1098765580 /nfs/dbraw/zinc/76/55/80/1098765580.db2.gz JZDVGHPYOBSJDG-QGZVFWFLSA-N 2 1 312.379 3.255 20 0 DGADMP Fc1cc(F)c(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235039990 1098765588 /nfs/dbraw/zinc/76/55/88/1098765588.db2.gz JZDVGHPYOBSJDG-QGZVFWFLSA-N 2 1 312.379 3.255 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1C ZINC001235037198 1098767085 /nfs/dbraw/zinc/76/70/85/1098767085.db2.gz CUQXLICGFTWIDL-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(N4CCCC4)c3)C[C@@H]2C1 ZINC001235097784 1098797474 /nfs/dbraw/zinc/79/74/74/1098797474.db2.gz CYEABDPXQMSUCE-OALUTQOASA-N 2 1 313.489 3.060 20 0 DGADMP Brc1cccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235109983 1098810288 /nfs/dbraw/zinc/81/02/88/1098810288.db2.gz FYMRKQSNPXGYQI-INIZCTEOSA-N 2 1 323.278 3.210 20 0 DGADMP Brc1cccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235109983 1098810298 /nfs/dbraw/zinc/81/02/98/1098810298.db2.gz FYMRKQSNPXGYQI-INIZCTEOSA-N 2 1 323.278 3.210 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327405 1098822344 /nfs/dbraw/zinc/82/23/44/1098822344.db2.gz WBYCKZXVKQFILG-QGZVFWFLSA-N 2 1 312.404 3.314 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235151833 1098837106 /nfs/dbraw/zinc/83/71/06/1098837106.db2.gz BTDSIKXQPNJFET-QGZVFWFLSA-N 2 1 312.379 3.458 20 0 DGADMP c1cc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1OCC2 ZINC001235151960 1098837638 /nfs/dbraw/zinc/83/76/38/1098837638.db2.gz KNFJWXJVMODZOF-LJQANCHMSA-N 2 1 314.473 3.018 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(C)c1 ZINC001235152228 1098837653 /nfs/dbraw/zinc/83/76/53/1098837653.db2.gz FLHSHGRFVKCQKR-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235152859 1098839882 /nfs/dbraw/zinc/83/98/82/1098839882.db2.gz CEAFHLNNFXHFFF-GOSISDBHSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235152859 1098839887 /nfs/dbraw/zinc/83/98/87/1098839887.db2.gz CEAFHLNNFXHFFF-GOSISDBHSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235152859 1098839897 /nfs/dbraw/zinc/83/98/97/1098839897.db2.gz CEAFHLNNFXHFFF-GOSISDBHSA-N 2 1 312.461 3.225 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cn1 ZINC001235154768 1098842693 /nfs/dbraw/zinc/84/26/93/1098842693.db2.gz AZAWAJZPWNXEJF-GOSISDBHSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235159258 1098844528 /nfs/dbraw/zinc/84/45/28/1098844528.db2.gz WCJHMTPHVDDUGW-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001235158728 1098845548 /nfs/dbraw/zinc/84/55/48/1098845548.db2.gz VKESDEJSUAUARP-QGZVFWFLSA-N 2 1 307.869 3.398 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160789 1098846545 /nfs/dbraw/zinc/84/65/45/1098846545.db2.gz ZGPASBNPWRUYDF-IBGZPJMESA-N 2 1 324.472 3.431 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc4ccc(-c5ccccc5)nc4c3)C[C@H]21 ZINC001235210612 1098881424 /nfs/dbraw/zinc/88/14/24/1098881424.db2.gz OPSGCIVHNSKNMO-WGMWDUQUSA-N 2 1 315.420 3.291 20 0 DGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3c4ccccc4[nH]c3-c3ccccc3)C[C@H]21 ZINC001235210949 1098881878 /nfs/dbraw/zinc/88/18/78/1098881878.db2.gz RHTOVCOLDIMIRM-MNZLEMJZSA-N 2 1 303.409 3.224 20 0 DGADMP Fc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1F ZINC001235226900 1098897979 /nfs/dbraw/zinc/89/79/79/1098897979.db2.gz BVYUTJDEFVLSRQ-HNNXBMFYSA-N 2 1 312.379 3.458 20 0 DGADMP Fc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1F ZINC001235226902 1098898334 /nfs/dbraw/zinc/89/83/34/1098898334.db2.gz BVYUTJDEFVLSRQ-OAHLLOKOSA-N 2 1 312.379 3.458 20 0 DGADMP COc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)cc1F ZINC001235235824 1098909543 /nfs/dbraw/zinc/90/95/43/1098909543.db2.gz BIICPNXBPFXBRS-QGZVFWFLSA-N 2 1 324.415 3.328 20 0 DGADMP COc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cnc1Cl ZINC001235239933 1098913044 /nfs/dbraw/zinc/91/30/44/1098913044.db2.gz LQOLWDFNLYJVMU-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP Fc1cc(Cl)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235240084 1098913631 /nfs/dbraw/zinc/91/36/31/1098913631.db2.gz VPANLXUMPNZNBZ-HNNXBMFYSA-N 2 1 311.832 3.228 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4cccc(F)c4[nH]3)C2)CC1 ZINC001235245868 1098918597 /nfs/dbraw/zinc/91/85/97/1098918597.db2.gz CSVWQWKISQSZLF-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC001235263615 1098935143 /nfs/dbraw/zinc/93/51/43/1098935143.db2.gz NJLXDLXFEYYYJG-JXFKEZNVSA-N 2 1 324.424 3.368 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC001235263615 1098935150 /nfs/dbraw/zinc/93/51/50/1098935150.db2.gz NJLXDLXFEYYYJG-JXFKEZNVSA-N 2 1 324.424 3.368 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339976 1098962001 /nfs/dbraw/zinc/96/20/01/1098962001.db2.gz GIOAFNUMXBGYTJ-MRXNPFEDSA-N 2 1 310.441 3.280 20 0 DGADMP Fc1cc(Cl)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1F ZINC001235338103 1098962263 /nfs/dbraw/zinc/96/22/63/1098962263.db2.gz BOIBTUTVIWMOTM-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342543 1098966774 /nfs/dbraw/zinc/96/67/74/1098966774.db2.gz XMVWCGNZCXGRLE-SFHVURJKSA-N 2 1 322.452 3.404 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235348225 1098970625 /nfs/dbraw/zinc/97/06/25/1098970625.db2.gz DOISCCLDLNCXRB-NHCUHLMSSA-N 2 1 306.453 3.308 20 0 DGADMP Fc1cccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235349523 1098973226 /nfs/dbraw/zinc/97/32/26/1098973226.db2.gz QNYKINIJONGEHG-WOJBJXKFSA-N 2 1 310.416 3.405 20 0 DGADMP Fc1cccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235349523 1098973233 /nfs/dbraw/zinc/97/32/33/1098973233.db2.gz QNYKINIJONGEHG-WOJBJXKFSA-N 2 1 310.416 3.405 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235360924 1098978476 /nfs/dbraw/zinc/97/84/76/1098978476.db2.gz DCVYYBAZHHQKAR-VXKWHMMOSA-N 2 1 320.480 3.482 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235379745 1098988468 /nfs/dbraw/zinc/98/84/68/1098988468.db2.gz HZZQFUDDEVKWEW-UXHICEINSA-N 2 1 310.441 3.421 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235379745 1098988474 /nfs/dbraw/zinc/98/84/74/1098988474.db2.gz HZZQFUDDEVKWEW-UXHICEINSA-N 2 1 310.441 3.421 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235398064 1098993705 /nfs/dbraw/zinc/99/37/05/1098993705.db2.gz SRNWMMSHGUFQSZ-QZTJIDSGSA-N 2 1 304.453 3.394 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400655 1098998067 /nfs/dbraw/zinc/99/80/67/1098998067.db2.gz FDFMSJXBRMBYHW-IRXDYDNUSA-N 2 1 304.434 3.425 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001235400655 1098998072 /nfs/dbraw/zinc/99/80/72/1098998072.db2.gz FDFMSJXBRMBYHW-IRXDYDNUSA-N 2 1 304.434 3.425 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235409205 1099003949 /nfs/dbraw/zinc/00/39/49/1099003949.db2.gz WFSRQCCRUAHURZ-RTBURBONSA-N 2 1 315.436 3.185 20 0 DGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235409204 1099004072 /nfs/dbraw/zinc/00/40/72/1099004072.db2.gz WFSRQCCRUAHURZ-RBUKOAKNSA-N 2 1 315.436 3.185 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc(CC)c1O ZINC001235408123 1099004240 /nfs/dbraw/zinc/00/42/40/1099004240.db2.gz UFMRMVZPFRELNK-PKOBYXMFSA-N 2 1 320.452 3.041 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc(CC)c1O ZINC001235408123 1099004254 /nfs/dbraw/zinc/00/42/54/1099004254.db2.gz UFMRMVZPFRELNK-PKOBYXMFSA-N 2 1 320.452 3.041 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001235409180 1099004342 /nfs/dbraw/zinc/00/43/42/1099004342.db2.gz VNPMMQBVMBLDQK-OALUTQOASA-N 2 1 302.437 3.478 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1C ZINC001235408230 1099004558 /nfs/dbraw/zinc/00/45/58/1099004558.db2.gz UIQMJVOQJUCJTM-MOPGFXCFSA-N 2 1 320.452 3.144 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409915 1099006012 /nfs/dbraw/zinc/00/60/12/1099006012.db2.gz XSBPYCDHEMGDEH-RDJZCZTQSA-N 2 1 321.827 3.345 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409915 1099006024 /nfs/dbraw/zinc/00/60/24/1099006024.db2.gz XSBPYCDHEMGDEH-RDJZCZTQSA-N 2 1 321.827 3.345 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235410000 1099007626 /nfs/dbraw/zinc/00/76/26/1099007626.db2.gz WVFJTTNOKVMBJI-RTBURBONSA-N 2 1 302.437 3.089 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235421440 1099012659 /nfs/dbraw/zinc/01/26/59/1099012659.db2.gz BWVAPOQRYCMZAM-IRXDYDNUSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235425404 1099015331 /nfs/dbraw/zinc/01/53/31/1099015331.db2.gz IZEQBVGKGDLZLL-HZPDHXFCSA-N 2 1 308.416 3.485 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235425584 1099020500 /nfs/dbraw/zinc/02/05/00/1099020500.db2.gz MACGIMPADRDBEY-GJZGRUSLSA-N 2 1 308.416 3.485 20 0 DGADMP Fc1ccccc1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427841 1099021693 /nfs/dbraw/zinc/02/16/93/1099021693.db2.gz UCAUCXIZRRLRTO-ZWKOTPCHSA-N 2 1 304.453 3.470 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235428352 1099023170 /nfs/dbraw/zinc/02/31/70/1099023170.db2.gz OEHLJMIENDUEFP-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1ccnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428340 1099023448 /nfs/dbraw/zinc/02/34/48/1099023448.db2.gz PLGOACSBFJVQAI-LSDHHAIUSA-N 2 1 307.869 3.255 20 0 DGADMP Fc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427839 1099023752 /nfs/dbraw/zinc/02/37/52/1099023752.db2.gz UCAUCXIZRRLRTO-ROUUACIJSA-N 2 1 304.453 3.470 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235431301 1099027501 /nfs/dbraw/zinc/02/75/01/1099027501.db2.gz ZHUPPFAJAPKCRA-HOTGVXAUSA-N 2 1 320.452 3.436 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431214 1099028068 /nfs/dbraw/zinc/02/80/68/1099028068.db2.gz MUGCXXRYJYVNEI-BBWFWOEESA-N 2 1 318.509 3.145 20 0 DGADMP Cc1cc(Br)sc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235432092 1099028699 /nfs/dbraw/zinc/02/86/99/1099028699.db2.gz HSJKHXWIQQVAAU-UHFFFAOYSA-N 2 1 317.296 3.250 20 0 DGADMP c1cnc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235431775 1099029120 /nfs/dbraw/zinc/02/91/20/1099029120.db2.gz VTMVXLOSAFQTJT-MOPGFXCFSA-N 2 1 309.457 3.446 20 0 DGADMP c1cnc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235431780 1099029623 /nfs/dbraw/zinc/02/96/23/1099029623.db2.gz VTMVXLOSAFQTJT-OALUTQOASA-N 2 1 309.457 3.446 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001235433806 1099030365 /nfs/dbraw/zinc/03/03/65/1099030365.db2.gz RGUVOYQFZBWQOR-UHFFFAOYSA-N 2 1 316.367 3.145 20 0 DGADMP C[N@H+](C/C(Br)=C/c1ccccc1)CC1CC[NH2+]CC1 ZINC001235433628 1099030589 /nfs/dbraw/zinc/03/05/89/1099030589.db2.gz LNEUJCNZWCJANZ-WJDWOHSUSA-N 2 1 323.278 3.354 20 0 DGADMP CC[C@H]([NH3+])CN1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235560312 1099086298 /nfs/dbraw/zinc/08/62/98/1099086298.db2.gz QDPCEABLVDCIEN-LAQRGFTBSA-N 2 1 321.534 3.018 20 0 DGADMP c1ccc(-c2ccncc2)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001235626797 1099101266 /nfs/dbraw/zinc/10/12/66/1099101266.db2.gz UUIGXTPFZMLVIV-UHFFFAOYSA-N 2 1 307.441 3.419 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235676605 1099119586 /nfs/dbraw/zinc/11/95/86/1099119586.db2.gz SRKKDCYFBDIBAN-ZDUSSCGKSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235676605 1099119593 /nfs/dbraw/zinc/11/95/93/1099119593.db2.gz SRKKDCYFBDIBAN-ZDUSSCGKSA-N 2 1 311.267 3.237 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC001235679273 1099121825 /nfs/dbraw/zinc/12/18/25/1099121825.db2.gz ROTZKRMTGBTFHM-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235689171 1099128060 /nfs/dbraw/zinc/12/80/60/1099128060.db2.gz YHSNHKOTJQRHMN-SFHVURJKSA-N 2 1 318.436 3.059 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235688614 1099128099 /nfs/dbraw/zinc/12/80/99/1099128099.db2.gz SCHLUPGLPVSINS-LJQANCHMSA-N 2 1 312.388 3.082 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689330 1099129049 /nfs/dbraw/zinc/12/90/49/1099129049.db2.gz DGNNREZLPVCWQE-CYIKRSNASA-N 2 1 312.448 3.378 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689330 1099129053 /nfs/dbraw/zinc/12/90/53/1099129053.db2.gz DGNNREZLPVCWQE-CYIKRSNASA-N 2 1 312.448 3.378 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235687471 1099129235 /nfs/dbraw/zinc/12/92/35/1099129235.db2.gz ICOVWUIDVAVXDF-APWZRJJASA-N 2 1 318.461 3.071 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001235690073 1099130440 /nfs/dbraw/zinc/13/04/40/1099130440.db2.gz FTZFUDOBRTXVGH-HYVNUMGLSA-N 2 1 324.415 3.021 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001235690073 1099130448 /nfs/dbraw/zinc/13/04/48/1099130448.db2.gz FTZFUDOBRTXVGH-HYVNUMGLSA-N 2 1 324.415 3.021 20 0 DGADMP [NH3+]CCCCCC[NH+]1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001235705218 1099137997 /nfs/dbraw/zinc/13/79/97/1099137997.db2.gz GVRRULBRSOSSHT-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001235713612 1099141128 /nfs/dbraw/zinc/14/11/28/1099141128.db2.gz DETRIDKDBABNJE-KCXAZCMYSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001235713612 1099141134 /nfs/dbraw/zinc/14/11/34/1099141134.db2.gz DETRIDKDBABNJE-KCXAZCMYSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001235713614 1099141228 /nfs/dbraw/zinc/14/12/28/1099141228.db2.gz DETRIDKDBABNJE-UHOFOFEASA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001235713614 1099141230 /nfs/dbraw/zinc/14/12/30/1099141230.db2.gz DETRIDKDBABNJE-UHOFOFEASA-N 2 1 312.379 3.453 20 0 DGADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)cc1Cl ZINC001235715166 1099142187 /nfs/dbraw/zinc/14/21/87/1099142187.db2.gz QKWPEGOPUNKOBS-UHFFFAOYSA-N 2 1 314.832 3.309 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235717557 1099143055 /nfs/dbraw/zinc/14/30/55/1099143055.db2.gz JYFXQVVZXYVOLF-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Cl)c(F)cc1F ZINC001235716916 1099144351 /nfs/dbraw/zinc/14/43/51/1099144351.db2.gz MUCGLDCVBVDJHG-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001235724153 1099147251 /nfs/dbraw/zinc/14/72/51/1099147251.db2.gz DMWHIZOWVRDAIB-HNNXBMFYSA-N 2 1 319.811 3.464 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001235724153 1099147259 /nfs/dbraw/zinc/14/72/59/1099147259.db2.gz DMWHIZOWVRDAIB-HNNXBMFYSA-N 2 1 319.811 3.464 20 0 DGADMP CC[N@H+](Cc1ccc(C(F)(F)F)cc1OC)C1CC[NH2+]CC1 ZINC001235759895 1099168163 /nfs/dbraw/zinc/16/81/63/1099168163.db2.gz DTROWJGBMHSJJE-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1OC)C1CC[NH2+]CC1 ZINC001235759895 1099168165 /nfs/dbraw/zinc/16/81/65/1099168165.db2.gz DTROWJGBMHSJJE-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC001235841247 1099205103 /nfs/dbraw/zinc/20/51/03/1099205103.db2.gz CSRXCRBBBUCYQY-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC001235841247 1099205110 /nfs/dbraw/zinc/20/51/10/1099205110.db2.gz CSRXCRBBBUCYQY-LLVKDONJSA-N 2 1 317.260 3.433 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792526 1099205710 /nfs/dbraw/zinc/20/57/10/1099205710.db2.gz QPSXNGGCNQWVSM-MSOLQXFVSA-N 2 1 323.525 3.070 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235843546 1099206424 /nfs/dbraw/zinc/20/64/24/1099206424.db2.gz YQGCRCKXLZGUCC-GFCCVEGCSA-N 2 1 311.267 3.053 20 0 DGADMP C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(C[NH3+])c2)CC1 ZINC001235864398 1099225268 /nfs/dbraw/zinc/22/52/68/1099225268.db2.gz QGSOCAQBSMCGFK-QGZVFWFLSA-N 2 1 309.457 3.024 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235867264 1099226689 /nfs/dbraw/zinc/22/66/89/1099226689.db2.gz NFGBDDXJCHMKTN-ICSRJNTNSA-N 2 1 313.489 3.251 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892028 1099236781 /nfs/dbraw/zinc/23/67/81/1099236781.db2.gz KKJMOUJITKJSKX-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001235892028 1099236786 /nfs/dbraw/zinc/23/67/86/1099236786.db2.gz KKJMOUJITKJSKX-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891353 1099237039 /nfs/dbraw/zinc/23/70/39/1099237039.db2.gz FYWKHAWTNJPBPO-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235891353 1099237044 /nfs/dbraw/zinc/23/70/44/1099237044.db2.gz FYWKHAWTNJPBPO-SWLSCSKDSA-N 2 1 300.368 3.450 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929754 1099264840 /nfs/dbraw/zinc/26/48/40/1099264840.db2.gz RWCXBIHFXMAMPN-ROUUACIJSA-N 2 1 302.462 3.297 20 0 DGADMP Clc1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235928633 1099264873 /nfs/dbraw/zinc/26/48/73/1099264873.db2.gz BMSVEHNEKUOPAY-KBPBESRZSA-N 2 1 313.272 3.467 20 0 DGADMP c1ccc(C(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC001235929749 1099265038 /nfs/dbraw/zinc/26/50/38/1099265038.db2.gz RVKPEEBXQOYJIO-UXHICEINSA-N 2 1 306.453 3.360 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235929088 1099265187 /nfs/dbraw/zinc/26/51/87/1099265187.db2.gz HQHSGZGAWHOBEV-AZUAARDMSA-N 2 1 322.452 3.307 20 0 DGADMP COCCC[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235936214 1099269949 /nfs/dbraw/zinc/26/99/49/1099269949.db2.gz PIHNLOYGDVCDIG-UHFFFAOYSA-N 2 1 324.896 3.363 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235936769 1099270920 /nfs/dbraw/zinc/27/09/20/1099270920.db2.gz HDPIICZYLVQTMT-PMACEKPBSA-N 2 1 322.452 3.307 20 0 DGADMP CCCc1ccc(C[N@@H+](CCCOC)C2CC[NH2+]CC2)s1 ZINC001235937861 1099272159 /nfs/dbraw/zinc/27/21/59/1099272159.db2.gz RXHHUOIKJVWBOG-UHFFFAOYSA-N 2 1 310.507 3.291 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)cc1Br ZINC001235937515 1099273322 /nfs/dbraw/zinc/27/33/22/1099273322.db2.gz IIRYJZYQEIEZHK-HIFRSBDPSA-N 2 1 323.278 3.107 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)cc1Br ZINC001235937515 1099273327 /nfs/dbraw/zinc/27/33/27/1099273327.db2.gz IIRYJZYQEIEZHK-HIFRSBDPSA-N 2 1 323.278 3.107 20 0 DGADMP COCCC[N@@H+](Cc1cccc2c1CCCC2)C1CC[NH2+]CC1 ZINC001235940008 1099275314 /nfs/dbraw/zinc/27/53/14/1099275314.db2.gz MLXASLMCNRHCIU-UHFFFAOYSA-N 2 1 316.489 3.156 20 0 DGADMP COCC[N@@H+](CC1(c2ccccc2)CCCC1)C1CC[NH2+]CC1 ZINC001235946756 1099278107 /nfs/dbraw/zinc/27/81/07/1099278107.db2.gz RSOVSZBTFWXURT-UHFFFAOYSA-N 2 1 316.489 3.199 20 0 DGADMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1sc2ccccc2c1Cl ZINC001235948382 1099280031 /nfs/dbraw/zinc/28/00/31/1099280031.db2.gz MXQUWYWHEKXYJF-LBPRGKRZSA-N 2 1 324.877 3.365 20 0 DGADMP c1ccc([C@H]2CC[N@@H+]2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235949377 1099284441 /nfs/dbraw/zinc/28/44/41/1099284441.db2.gz HIYPQIWXBSBRID-HXUWFJFHSA-N 2 1 307.441 3.043 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235956949 1099288883 /nfs/dbraw/zinc/28/88/83/1099288883.db2.gz ISAMLNGUCSDFQA-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959788 1099291581 /nfs/dbraw/zinc/29/15/81/1099291581.db2.gz OCFPZIZOHAMUPW-YWVIFJGQSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959788 1099291589 /nfs/dbraw/zinc/29/15/89/1099291589.db2.gz OCFPZIZOHAMUPW-YWVIFJGQSA-N 2 1 323.278 3.235 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235959085 1099292459 /nfs/dbraw/zinc/29/24/59/1099292459.db2.gz RYQZAPLGAKYWAN-CEQLMSFQSA-N 2 1 322.452 3.435 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCCCOCc1ccccc1)C2 ZINC001235960034 1099292686 /nfs/dbraw/zinc/29/26/86/1099292686.db2.gz SVVBKZFUUAIDHS-REPLKXPHSA-N 2 1 302.462 3.043 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980541 1099309241 /nfs/dbraw/zinc/30/92/41/1099309241.db2.gz PZIIWGWFGBYDJC-YQVWRLOYSA-N 2 1 306.494 3.077 20 0 DGADMP FC1CC2(C1)CCC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001235995212 1099317608 /nfs/dbraw/zinc/31/76/08/1099317608.db2.gz YIZQDPWEOMKYBA-UHFFFAOYSA-N 2 1 302.437 3.437 20 0 DGADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c2)cc1 ZINC001235999425 1099322453 /nfs/dbraw/zinc/32/24/53/1099322453.db2.gz FLRFWGOOTRTJBS-WCRBZPEASA-N 2 1 322.452 3.068 20 0 DGADMP Fc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc(C(F)(F)F)c1 ZINC001236008040 1099330910 /nfs/dbraw/zinc/33/09/10/1099330910.db2.gz IRIMDVDOYZZSBT-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012295 1099335463 /nfs/dbraw/zinc/33/54/63/1099335463.db2.gz HLFCGDWQXCHTMD-CTNGQTDRSA-N 2 1 306.453 3.276 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001180225649 1099347182 /nfs/dbraw/zinc/34/71/82/1099347182.db2.gz VJQKEBFFTPTWPW-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001180225649 1099347187 /nfs/dbraw/zinc/34/71/87/1099347187.db2.gz VJQKEBFFTPTWPW-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001236066822 1099366330 /nfs/dbraw/zinc/36/63/30/1099366330.db2.gz LDUDKBCUTCHPPU-CYBMUJFWSA-N 2 1 301.261 3.467 20 0 DGADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001236094846 1099384482 /nfs/dbraw/zinc/38/44/82/1099384482.db2.gz XKFVGWMGRDXXHH-QGZVFWFLSA-N 2 1 324.509 3.495 20 0 DGADMP C[NH2+]CCC[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103921 1099392186 /nfs/dbraw/zinc/39/21/86/1099392186.db2.gz YAOPHYVJRJMAJY-IBGZPJMESA-N 2 1 300.446 3.193 20 0 DGADMP CC(C)(O)C[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236113260 1099399739 /nfs/dbraw/zinc/39/97/39/1099399739.db2.gz QYBLXOBVLCLWEX-UHFFFAOYSA-N 2 1 316.489 3.039 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001236132198 1099420602 /nfs/dbraw/zinc/42/06/02/1099420602.db2.gz HJUJKNWOLRMTIM-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213257 1099467511 /nfs/dbraw/zinc/46/75/11/1099467511.db2.gz AQTXIUUAQZUROV-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213257 1099467521 /nfs/dbraw/zinc/46/75/21/1099467521.db2.gz AQTXIUUAQZUROV-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP CCC[N@@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC001236180192 1099450894 /nfs/dbraw/zinc/45/08/94/1099450894.db2.gz CLOZLNQOIVZEKM-HNNXBMFYSA-N 2 1 318.461 3.058 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001236211926 1099467446 /nfs/dbraw/zinc/46/74/46/1099467446.db2.gz ADZADIHQOJZIFU-ODIFPOPNSA-N 2 1 318.461 3.056 20 0 DGADMP C[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216410 1099471440 /nfs/dbraw/zinc/47/14/40/1099471440.db2.gz KJWUIXSHJHWYQQ-RDJZCZTQSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216410 1099471446 /nfs/dbraw/zinc/47/14/46/1099471446.db2.gz KJWUIXSHJHWYQQ-RDJZCZTQSA-N 2 1 318.852 3.227 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)c(OC)cc2F)CC1 ZINC001236216493 1099471515 /nfs/dbraw/zinc/47/15/15/1099471515.db2.gz ONBJMFWPYACOHA-UHFFFAOYSA-N 2 1 314.832 3.450 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219576 1099477875 /nfs/dbraw/zinc/47/78/75/1099477875.db2.gz WGCMQQNRXPWREC-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219576 1099477879 /nfs/dbraw/zinc/47/78/79/1099477879.db2.gz WGCMQQNRXPWREC-CABCVRRESA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](C[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223342 1099481341 /nfs/dbraw/zinc/48/13/41/1099481341.db2.gz PBYLEWFLOMDYSQ-UFYCRDLUSA-N 2 1 315.505 3.243 20 0 DGADMP CCCCOc1ncc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc1C ZINC001236227374 1099483255 /nfs/dbraw/zinc/48/32/55/1099483255.db2.gz DHWFVTKVCSZAFM-UHFFFAOYSA-N 2 1 305.466 3.143 20 0 DGADMP CCCCOc1ncc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1C ZINC001236227374 1099483260 /nfs/dbraw/zinc/48/32/60/1099483260.db2.gz DHWFVTKVCSZAFM-UHFFFAOYSA-N 2 1 305.466 3.143 20 0 DGADMP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1(C)CC[NH2+]CC1 ZINC001236226597 1099483612 /nfs/dbraw/zinc/48/36/12/1099483612.db2.gz PLXLPJATICHERN-UHFFFAOYSA-N 2 1 318.461 3.216 20 0 DGADMP Cc1cc(C[NH+]2CCC[NH2+]CCC2)cc(OC(F)(F)F)c1 ZINC001236240041 1099493766 /nfs/dbraw/zinc/49/37/66/1099493766.db2.gz KTWDEOGCCMURCX-UHFFFAOYSA-N 2 1 302.340 3.079 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001236243758 1099497329 /nfs/dbraw/zinc/49/73/29/1099497329.db2.gz FHMGOILMDFYMAY-ZDUSSCGKSA-N 2 1 303.837 3.438 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001236243758 1099497336 /nfs/dbraw/zinc/49/73/36/1099497336.db2.gz FHMGOILMDFYMAY-ZDUSSCGKSA-N 2 1 303.837 3.438 20 0 DGADMP c1[nH+]c(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c2ccccn12 ZINC001236269557 1099512582 /nfs/dbraw/zinc/51/25/82/1099512582.db2.gz IDWHCLIHLIPRFW-GOSISDBHSA-N 2 1 320.440 3.089 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1CCCCC[NH3+] ZINC001236273135 1099515144 /nfs/dbraw/zinc/51/51/44/1099515144.db2.gz BXOFIKLFYITYTB-ZWKOTPCHSA-N 2 1 318.461 3.274 20 0 DGADMP CC[C@@H]([NH3+])C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303956 1099523373 /nfs/dbraw/zinc/52/33/73/1099523373.db2.gz FQKHSBJIOSISFH-LJQANCHMSA-N 3 1 315.505 3.102 20 0 DGADMP CC[C@@H]([NH3+])C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303956 1099523380 /nfs/dbraw/zinc/52/33/80/1099523380.db2.gz FQKHSBJIOSISFH-LJQANCHMSA-N 3 1 315.505 3.102 20 0 DGADMP Cc1cc(O)cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236300958 1099523673 /nfs/dbraw/zinc/52/36/73/1099523673.db2.gz RSWJMOQOCPHFDM-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP Cc1cc(O)cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236300958 1099523684 /nfs/dbraw/zinc/52/36/84/1099523684.db2.gz RSWJMOQOCPHFDM-UHFFFAOYSA-N 2 1 310.441 3.455 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001236305040 1099524776 /nfs/dbraw/zinc/52/47/76/1099524776.db2.gz RKNLFGKEFIJZRO-HKUYNNGSSA-N 2 1 316.489 3.339 20 0 DGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314651 1099528512 /nfs/dbraw/zinc/52/85/12/1099528512.db2.gz QWROQWUISGYNGL-DFGXFYAUSA-N 2 1 304.865 3.375 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314150 1099528969 /nfs/dbraw/zinc/52/89/69/1099528969.db2.gz HXJDNIQGOWQHPQ-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP Clc1ccccc1[C@@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236316821 1099530090 /nfs/dbraw/zinc/53/00/90/1099530090.db2.gz USNAHVDYODPBCN-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236316821 1099530097 /nfs/dbraw/zinc/53/00/97/1099530097.db2.gz USNAHVDYODPBCN-KRWDZBQOSA-N 2 1 308.853 3.103 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1CC ZINC001236321107 1099533880 /nfs/dbraw/zinc/53/38/80/1099533880.db2.gz WEORBLOOHDUDLJ-HDICACEKSA-N 2 1 302.462 3.079 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320339 1099534484 /nfs/dbraw/zinc/53/44/84/1099534484.db2.gz FKKNXISNZIVYNX-HDICACEKSA-N 2 1 314.473 3.012 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322304 1099536595 /nfs/dbraw/zinc/53/65/95/1099536595.db2.gz WKNYOMAAFIKUMZ-KDURUIRLSA-N 2 1 321.468 3.488 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)nc1C ZINC001236374902 1099560642 /nfs/dbraw/zinc/56/06/42/1099560642.db2.gz GFGZBAOCADIGLN-INIZCTEOSA-N 2 1 317.477 3.143 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c1)CCN2 ZINC001236377294 1099562797 /nfs/dbraw/zinc/56/27/97/1099562797.db2.gz YSQQSPHBBRKKPI-INIZCTEOSA-N 2 1 313.489 3.399 20 0 DGADMP Oc1c(F)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236376214 1099564489 /nfs/dbraw/zinc/56/44/89/1099564489.db2.gz PCOGKHFOOAGYBG-ZDUSSCGKSA-N 2 1 324.415 3.415 20 0 DGADMP Oc1c(F)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236376214 1099564494 /nfs/dbraw/zinc/56/44/94/1099564494.db2.gz PCOGKHFOOAGYBG-ZDUSSCGKSA-N 2 1 324.415 3.415 20 0 DGADMP CC[N@H+](Cc1cc(Br)c(C)s1)C[C@@H]1CC[NH2+]C1 ZINC001236408025 1099580848 /nfs/dbraw/zinc/58/08/48/1099580848.db2.gz JWIDBTLRRZVSGW-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236407659 1099581837 /nfs/dbraw/zinc/58/18/37/1099581837.db2.gz GMDGMCSQVMZMKL-LBPRGKRZSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1ccccc1N(C)c1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236417905 1099592633 /nfs/dbraw/zinc/59/26/33/1099592633.db2.gz YZZAQEJXIRWXFQ-KXTWHKPSSA-N 2 1 321.468 3.413 20 0 DGADMP Cc1ccccc1N(C)c1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236417905 1099592646 /nfs/dbraw/zinc/59/26/46/1099592646.db2.gz YZZAQEJXIRWXFQ-KXTWHKPSSA-N 2 1 321.468 3.413 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccc(Br)cc1 ZINC001236417949 1099592879 /nfs/dbraw/zinc/59/28/79/1099592879.db2.gz FZBZIPKWOLBDHC-OAHLLOKOSA-N 2 1 311.267 3.066 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccc(Br)cc1 ZINC001236417949 1099592892 /nfs/dbraw/zinc/59/28/92/1099592892.db2.gz FZBZIPKWOLBDHC-OAHLLOKOSA-N 2 1 311.267 3.066 20 0 DGADMP COc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1F ZINC001236457732 1099620777 /nfs/dbraw/zinc/62/07/77/1099620777.db2.gz NHHUCPVBJGPATQ-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP CN(C)c1cc(F)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459703 1099623700 /nfs/dbraw/zinc/62/37/00/1099623700.db2.gz DEFWZBFKSSKHBU-UHFFFAOYSA-N 2 1 321.484 3.492 20 0 DGADMP CCCc1ccc(C[N@@H+](CCOCC)C2CC[NH2+]CC2)cc1 ZINC001236460966 1099624582 /nfs/dbraw/zinc/62/45/82/1099624582.db2.gz IIUSVWDFOGGQLU-UHFFFAOYSA-N 2 1 304.478 3.230 20 0 DGADMP CCC(=O)Oc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236477451 1099634810 /nfs/dbraw/zinc/63/48/10/1099634810.db2.gz DMDAOKZHUQHSOG-QGZVFWFLSA-N 2 1 318.461 3.212 20 0 DGADMP CCC(=O)Oc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236477451 1099634815 /nfs/dbraw/zinc/63/48/15/1099634815.db2.gz DMDAOKZHUQHSOG-QGZVFWFLSA-N 2 1 318.461 3.212 20 0 DGADMP Cc1cc(F)cc(C[N@H+](C[C@@H]2CCCCO2)C2CC[NH2+]CC2)c1 ZINC001236481583 1099638809 /nfs/dbraw/zinc/63/88/09/1099638809.db2.gz XIVUXAXVUNOHIH-IBGZPJMESA-N 2 1 320.452 3.257 20 0 DGADMP Cc1cc(F)cc(C[N@@H+](C[C@@H]2CCCCO2)C2CC[NH2+]CC2)c1 ZINC001236481583 1099638814 /nfs/dbraw/zinc/63/88/14/1099638814.db2.gz XIVUXAXVUNOHIH-IBGZPJMESA-N 2 1 320.452 3.257 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001236532840 1099667509 /nfs/dbraw/zinc/66/75/09/1099667509.db2.gz FHTXDEBMCCAFDJ-IBGZPJMESA-N 2 1 323.440 3.037 20 0 DGADMP COc1ccc(OC)c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550671 1099675906 /nfs/dbraw/zinc/67/59/06/1099675906.db2.gz LPQXUKMFXWMFJE-QAQDUYKDSA-N 2 1 320.477 3.432 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc2c1CCN2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554867 1099677063 /nfs/dbraw/zinc/67/70/63/1099677063.db2.gz ZFHWRIAHPUPCDB-QAQDUYKDSA-N 2 1 301.478 3.383 20 0 DGADMP CCOc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(F)cn1 ZINC001236554862 1099677209 /nfs/dbraw/zinc/67/72/09/1099677209.db2.gz ZAFMJCGCMWTHPO-WKILWMFISA-N 2 1 323.456 3.347 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)CCN2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554699 1099677377 /nfs/dbraw/zinc/67/73/77/1099677377.db2.gz QWJDLPCPVAXPBK-IYARVYRRSA-N 2 1 301.478 3.383 20 0 DGADMP COC(=O)c1ccccc1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551603 1099677957 /nfs/dbraw/zinc/67/79/57/1099677957.db2.gz RUWBFOFOTMADMC-QAQDUYKDSA-N 2 1 318.461 3.201 20 0 DGADMP [NH3+]Cc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236571936 1099684957 /nfs/dbraw/zinc/68/49/57/1099684957.db2.gz NFPRTKQCXVBECA-UAPYVXQJSA-N 3 1 301.478 3.160 20 0 DGADMP Nc1nc(Cl)ccc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236574717 1099685201 /nfs/dbraw/zinc/68/52/01/1099685201.db2.gz QNWNGZLLRKUSIG-CTYIDZIISA-N 2 1 322.884 3.332 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236604006 1099699100 /nfs/dbraw/zinc/69/91/00/1099699100.db2.gz BAYJARMDFNRCDK-HNNXBMFYSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(OC)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236604006 1099699106 /nfs/dbraw/zinc/69/91/06/1099699106.db2.gz BAYJARMDFNRCDK-HNNXBMFYSA-N 2 1 318.461 3.058 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CNCCO1 ZINC001236661752 1099730100 /nfs/dbraw/zinc/73/01/00/1099730100.db2.gz GEBRQCJIPQXHCE-MOPGFXCFSA-N 2 1 304.478 3.098 20 0 DGADMP [NH3+]Cc1cccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236693280 1099744865 /nfs/dbraw/zinc/74/48/65/1099744865.db2.gz BFISWBRVDVETDU-MEMLXQNLSA-N 3 1 323.484 3.417 20 0 DGADMP COc1ccccc1C[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701406 1099748370 /nfs/dbraw/zinc/74/83/70/1099748370.db2.gz RZHPKBCOUYWPPB-BZZMCLGOSA-N 2 1 302.462 3.423 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCCCO)Cc2ccc(F)cc2)CC1 ZINC001236742714 1099767453 /nfs/dbraw/zinc/76/74/53/1099767453.db2.gz PARQJSFCQDSWLK-IYARVYRRSA-N 2 1 308.441 3.060 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCCO2)CC1 ZINC001236742717 1099767975 /nfs/dbraw/zinc/76/79/75/1099767975.db2.gz PEZSEGGMWIPUIB-FHWLQOOXSA-N 2 1 320.452 3.467 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cncc(O)c2)CC2CCCCC2)CC1 ZINC001236759655 1099772633 /nfs/dbraw/zinc/77/26/33/1099772633.db2.gz ZSSCHUCAJXWJDD-IYARVYRRSA-N 2 1 317.477 3.439 20 0 DGADMP Nc1ccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236758885 1099772796 /nfs/dbraw/zinc/77/27/96/1099772796.db2.gz NOZXBCUTAZCCMB-IYARVYRRSA-N 2 1 316.493 3.316 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCCOc3ccc(F)cc3)CC2)C1 ZINC001278012833 1099800008 /nfs/dbraw/zinc/80/00/08/1099800008.db2.gz IFNNBHNBLYVJOV-UHFFFAOYSA-N 2 1 320.452 3.402 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@H]12 ZINC001236818922 1099806315 /nfs/dbraw/zinc/80/63/15/1099806315.db2.gz KZIOTQGIYKMMOE-CWRNSKLLSA-N 2 1 323.278 3.051 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C[C@H]12 ZINC001236826690 1099810994 /nfs/dbraw/zinc/81/09/94/1099810994.db2.gz CURMOLIHKBLEOE-FPMFFAJLSA-N 2 1 316.392 3.468 20 0 DGADMP Cc1c(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC001236826305 1099811681 /nfs/dbraw/zinc/81/16/81/1099811681.db2.gz BQXIFGPYESFLLD-LZWOXQAQSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC001236826305 1099811697 /nfs/dbraw/zinc/81/16/97/1099811697.db2.gz BQXIFGPYESFLLD-LZWOXQAQSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1c(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC001236826307 1099811895 /nfs/dbraw/zinc/81/18/95/1099811895.db2.gz BQXIFGPYESFLLD-SQWLQELKSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC001236826307 1099811906 /nfs/dbraw/zinc/81/19/06/1099811906.db2.gz BQXIFGPYESFLLD-SQWLQELKSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236827781 1099812663 /nfs/dbraw/zinc/81/26/63/1099812663.db2.gz GRGCPVMSMXGKSS-IPELMVKDSA-N 2 1 302.462 3.260 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC001236829476 1099814629 /nfs/dbraw/zinc/81/46/29/1099814629.db2.gz KNFNPECTNMTSMD-SXLOBPIMSA-N 2 1 309.457 3.075 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C(C)C ZINC001236831979 1099816328 /nfs/dbraw/zinc/81/63/28/1099816328.db2.gz SLYLGJVUKLHUTB-JCGIZDLHSA-N 2 1 302.462 3.296 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC)c(CC)c1)C[C@H]1CC[NH2+]C1 ZINC001236833469 1099820192 /nfs/dbraw/zinc/82/01/92/1099820192.db2.gz BULFKKBFVGHOAD-KRWDZBQOSA-N 2 1 304.478 3.469 20 0 DGADMP CCC[N@H+](Cc1cccn1-c1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236834846 1099820438 /nfs/dbraw/zinc/82/04/38/1099820438.db2.gz IUNDBBSTKQSTNE-MRXNPFEDSA-N 2 1 315.436 3.438 20 0 DGADMP CCC[N@@H+](Cc1cc2ccccc2nc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236836579 1099823428 /nfs/dbraw/zinc/82/34/28/1099823428.db2.gz YBEPVUNDASULQO-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP CCC[N@H+](Cc1cc2ccccc2nc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236836579 1099823438 /nfs/dbraw/zinc/82/34/38/1099823438.db2.gz YBEPVUNDASULQO-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP CC[C@@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236890932 1099854198 /nfs/dbraw/zinc/85/41/98/1099854198.db2.gz TZJSCAAGXYPEMZ-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H](CCc3ccccc3)C2)CO1 ZINC001236950308 1099889804 /nfs/dbraw/zinc/88/98/04/1099889804.db2.gz LXRQQLMABQFYJF-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H](CCc3ccccc3)C2)CO1 ZINC001236950308 1099889809 /nfs/dbraw/zinc/88/98/09/1099889809.db2.gz LXRQQLMABQFYJF-MOPGFXCFSA-N 2 1 316.489 3.446 20 0 DGADMP C[NH+]1CCN(c2cc(C[N@@H+]3CCC34CCCC4)ccc2F)CC1 ZINC001236958542 1099891002 /nfs/dbraw/zinc/89/10/02/1099891002.db2.gz BKETZRXHJUFGKF-UHFFFAOYSA-N 2 1 317.452 3.096 20 0 DGADMP C[NH+]1CCN(c2cc(C[N@H+]3CCC34CCCC4)ccc2F)CC1 ZINC001236958542 1099891009 /nfs/dbraw/zinc/89/10/09/1099891009.db2.gz BKETZRXHJUFGKF-UHFFFAOYSA-N 2 1 317.452 3.096 20 0 DGADMP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236967269 1099895756 /nfs/dbraw/zinc/89/57/56/1099895756.db2.gz MYGHBMCKNJQOJK-SFHVURJKSA-N 2 1 319.468 3.198 20 0 DGADMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236967269 1099895761 /nfs/dbraw/zinc/89/57/61/1099895761.db2.gz MYGHBMCKNJQOJK-SFHVURJKSA-N 2 1 319.468 3.198 20 0 DGADMP C[NH+]1CCN(c2cc(C[NH+]3CCCCCCC3)ccc2F)CC1 ZINC001236975292 1099899284 /nfs/dbraw/zinc/89/92/84/1099899284.db2.gz XDGFTCVXYOLIMJ-UHFFFAOYSA-N 2 1 319.468 3.344 20 0 DGADMP CN1CCC([N@@H+](CCCC2CCCCC2)C2CC[NH2+]CC2)CC1 ZINC001237038716 1099940143 /nfs/dbraw/zinc/94/01/43/1099940143.db2.gz USOMNQZGDUBWCQ-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP C[NH+]1CCC(N(CCCC2CCCCC2)C2CC[NH2+]CC2)CC1 ZINC001237038716 1099940151 /nfs/dbraw/zinc/94/01/51/1099940151.db2.gz USOMNQZGDUBWCQ-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC1(C)CC[NH2+]CC1 ZINC001237043627 1099941989 /nfs/dbraw/zinc/94/19/89/1099941989.db2.gz RRKBEURSOMGNBM-UHFFFAOYSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237101176 1099969858 /nfs/dbraw/zinc/96/98/58/1099969858.db2.gz GHMVZZYCJYOBLR-SJORKVTESA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237101176 1099969872 /nfs/dbraw/zinc/96/98/72/1099969872.db2.gz GHMVZZYCJYOBLR-SJORKVTESA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237101176 1099969886 /nfs/dbraw/zinc/96/98/86/1099969886.db2.gz GHMVZZYCJYOBLR-SJORKVTESA-N 2 1 302.462 3.247 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(OC(C)(C)C)c3)C2)C1 ZINC001237106012 1099971200 /nfs/dbraw/zinc/97/12/00/1099971200.db2.gz LENUDYXYGMDDJF-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OC(C)(C)C)c3)C2)C1 ZINC001237106012 1099971213 /nfs/dbraw/zinc/97/12/13/1099971213.db2.gz LENUDYXYGMDDJF-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OC(C)(C)C)c3)C2)C1 ZINC001237106012 1099971244 /nfs/dbraw/zinc/97/12/44/1099971244.db2.gz LENUDYXYGMDDJF-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237104492 1099971942 /nfs/dbraw/zinc/97/19/42/1099971942.db2.gz HMYCOZKEVFBRSF-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237104492 1099971953 /nfs/dbraw/zinc/97/19/53/1099971953.db2.gz HMYCOZKEVFBRSF-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237104492 1099971966 /nfs/dbraw/zinc/97/19/66/1099971966.db2.gz HMYCOZKEVFBRSF-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(C)(C)C)c3)C[C@@H]2C1 ZINC001237104492 1099971977 /nfs/dbraw/zinc/97/19/77/1099971977.db2.gz HMYCOZKEVFBRSF-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP COc1cccc2c(C[N@@H+](C)CC3CC[NH+](C)CC3)ccnc12 ZINC001237109071 1099975768 /nfs/dbraw/zinc/97/57/68/1099975768.db2.gz ILNQFRICEPTYEA-UHFFFAOYSA-N 2 1 313.445 3.017 20 0 DGADMP CCCCCCc1csc(C[N@@H+]2CC[C@]3(C2)CNCCO3)c1 ZINC001237143493 1099994267 /nfs/dbraw/zinc/99/42/67/1099994267.db2.gz GDVWCGBTRIOCMG-GOSISDBHSA-N 2 1 322.518 3.435 20 0 DGADMP CCCCCCc1csc(C[N@H+]2CC[C@]3(C2)CNCCO3)c1 ZINC001237143493 1099994279 /nfs/dbraw/zinc/99/42/79/1099994279.db2.gz GDVWCGBTRIOCMG-GOSISDBHSA-N 2 1 322.518 3.435 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001237220592 1100035740 /nfs/dbraw/zinc/03/57/40/1100035740.db2.gz SMLFVQQGEUFESR-PMACEKPBSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001237220592 1100035752 /nfs/dbraw/zinc/03/57/52/1100035752.db2.gz SMLFVQQGEUFESR-PMACEKPBSA-N 2 1 321.468 3.223 20 0 DGADMP Nc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001237220592 1100035764 /nfs/dbraw/zinc/03/57/64/1100035764.db2.gz SMLFVQQGEUFESR-PMACEKPBSA-N 2 1 321.468 3.223 20 0 DGADMP COc1cccc(CC[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237300898 1100068436 /nfs/dbraw/zinc/06/84/36/1100068436.db2.gz QQYHLGRSVQGYNM-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP COc1cccc(CC[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237300898 1100068444 /nfs/dbraw/zinc/06/84/44/1100068444.db2.gz QQYHLGRSVQGYNM-UHFFFAOYSA-N 2 1 322.452 3.332 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237384107 1100103168 /nfs/dbraw/zinc/10/31/68/1100103168.db2.gz UKZNLFQMNMLGTQ-LPHOPBHVSA-N 2 1 310.441 3.422 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237393916 1100107644 /nfs/dbraw/zinc/10/76/44/1100107644.db2.gz UEXPEFLAIDPRPO-PKOBYXMFSA-N 2 1 313.489 3.251 20 0 DGADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237393916 1100107649 /nfs/dbraw/zinc/10/76/49/1100107649.db2.gz UEXPEFLAIDPRPO-PKOBYXMFSA-N 2 1 313.489 3.251 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(CC)c1O ZINC001237402985 1100111730 /nfs/dbraw/zinc/11/17/30/1100111730.db2.gz JQRRHCZCQBZADP-QZTJIDSGSA-N 2 1 302.462 3.091 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(CC)c1O ZINC001237402985 1100111735 /nfs/dbraw/zinc/11/17/35/1100111735.db2.gz JQRRHCZCQBZADP-QZTJIDSGSA-N 2 1 302.462 3.091 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)nc1 ZINC001237406894 1100113279 /nfs/dbraw/zinc/11/32/79/1100113279.db2.gz VZNLNBIJWGUQAF-QUCCMNQESA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)n2)cc1 ZINC001237413118 1100117753 /nfs/dbraw/zinc/11/77/53/1100117753.db2.gz JHXCQOMDXZYRTI-HKUYNNGSSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)n2)cc1 ZINC001237413118 1100117761 /nfs/dbraw/zinc/11/77/61/1100117761.db2.gz JHXCQOMDXZYRTI-HKUYNNGSSA-N 2 1 307.441 3.323 20 0 DGADMP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001278094904 1100119480 /nfs/dbraw/zinc/11/94/80/1100119480.db2.gz OUDJOVDFTPQBIG-CMDGGOBGSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415261 1100120003 /nfs/dbraw/zinc/12/00/03/1100120003.db2.gz PORPXWDHKPMZLE-LPHOPBHVSA-N 2 1 302.462 3.356 20 0 DGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415261 1100120006 /nfs/dbraw/zinc/12/00/06/1100120006.db2.gz PORPXWDHKPMZLE-LPHOPBHVSA-N 2 1 302.462 3.356 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC001237433163 1100125872 /nfs/dbraw/zinc/12/58/72/1100125872.db2.gz DFKBVBZJDZBHKZ-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC001237433163 1100125877 /nfs/dbraw/zinc/12/58/77/1100125877.db2.gz DFKBVBZJDZBHKZ-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC001237433163 1100125882 /nfs/dbraw/zinc/12/58/82/1100125882.db2.gz DFKBVBZJDZBHKZ-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC001237433163 1100125885 /nfs/dbraw/zinc/12/58/85/1100125885.db2.gz DFKBVBZJDZBHKZ-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCOC(=O)C1([N@H+](CCCCCC[NH3+])Cc2ccccc2)CC1 ZINC001237462417 1100132720 /nfs/dbraw/zinc/13/27/20/1100132720.db2.gz KEOJJZIGSGWSFN-UHFFFAOYSA-N 2 1 318.461 3.103 20 0 DGADMP CCOC(=O)C1([N@@H+](CCCCCC[NH3+])Cc2ccccc2)CC1 ZINC001237462417 1100132723 /nfs/dbraw/zinc/13/27/23/1100132723.db2.gz KEOJJZIGSGWSFN-UHFFFAOYSA-N 2 1 318.461 3.103 20 0 DGADMP Cc1ccnc2cccc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c12 ZINC001237629821 1100193833 /nfs/dbraw/zinc/19/38/33/1100193833.db2.gz JARIURFSPBIELK-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc(OCC[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1 ZINC001278126415 1100201416 /nfs/dbraw/zinc/20/14/16/1100201416.db2.gz JDSCCBACSBIIOO-UHFFFAOYSA-N 2 1 302.462 3.182 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC001278147460 1100248919 /nfs/dbraw/zinc/24/89/19/1100248919.db2.gz WWQSMJAMWSGNRP-SLFFLAALSA-N 2 1 321.553 3.447 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)cc21 ZINC001237878990 1100277637 /nfs/dbraw/zinc/27/76/37/1100277637.db2.gz SNNGECHGVRFBMK-CALCHBBNSA-N 2 1 310.441 3.384 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](CO)CC3)cc21 ZINC001237880475 1100277699 /nfs/dbraw/zinc/27/76/99/1100277699.db2.gz GGNDFVCXWPJUDY-INIZCTEOSA-N 2 1 314.473 3.282 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)Cc3cnn(C)c3)cc21 ZINC001237881227 1100280003 /nfs/dbraw/zinc/28/00/03/1100280003.db2.gz OSXYKNAQWNGPGV-UHFFFAOYSA-N 2 1 310.445 3.053 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)Cc3cnn(C)c3)cc21 ZINC001237881227 1100280007 /nfs/dbraw/zinc/28/00/07/1100280007.db2.gz OSXYKNAQWNGPGV-UHFFFAOYSA-N 2 1 310.445 3.053 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@]4(CCCO4)C3)cc21 ZINC001237880656 1100280651 /nfs/dbraw/zinc/28/06/51/1100280651.db2.gz HYZUFAGQVFWCGU-FQEVSTJZSA-N 2 1 312.457 3.443 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@H]3CN(C)C)cc21 ZINC001237884623 1100281653 /nfs/dbraw/zinc/28/16/53/1100281653.db2.gz CNMHLZVZKNGHEF-SFHVURJKSA-N 2 1 313.489 3.214 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H]3CN(C)C)cc21 ZINC001237884623 1100281661 /nfs/dbraw/zinc/28/16/61/1100281661.db2.gz CNMHLZVZKNGHEF-SFHVURJKSA-N 2 1 313.489 3.214 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)cc21 ZINC001237887712 1100282315 /nfs/dbraw/zinc/28/23/15/1100282315.db2.gz XGNAQAZPKPHMMD-HKUYNNGSSA-N 2 1 312.457 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H]3C(C)(C)O)cc21 ZINC001237886571 1100283269 /nfs/dbraw/zinc/28/32/69/1100283269.db2.gz OSYYWJMSIOLOMS-SFHVURJKSA-N 2 1 314.473 3.423 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](O)C[C@H]3C)cc21 ZINC001237888039 1100284808 /nfs/dbraw/zinc/28/48/08/1100284808.db2.gz ZDKZNRLNUNGWEU-RHSMWYFYSA-N 2 1 300.446 3.033 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1c3ccoc3ccc1F)C2 ZINC001278166867 1100302217 /nfs/dbraw/zinc/30/22/17/1100302217.db2.gz CHBABRDRGLIFJY-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP c1[nH+]cn2c1cccc2CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001238104326 1100363290 /nfs/dbraw/zinc/36/32/90/1100363290.db2.gz LIJRRPUTUCFJMA-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238111264 1100364295 /nfs/dbraw/zinc/36/42/95/1100364295.db2.gz SRRFFUNCEOGMDP-MRXNPFEDSA-N 2 1 307.397 3.332 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238111264 1100364305 /nfs/dbraw/zinc/36/43/05/1100364305.db2.gz SRRFFUNCEOGMDP-MRXNPFEDSA-N 2 1 307.397 3.332 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001205546142 1100376298 /nfs/dbraw/zinc/37/62/98/1100376298.db2.gz QSXDEACQRPILDS-AWEZNQCLSA-N 2 1 304.331 3.358 20 0 DGADMP CCC[N@H+]1CC[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001203236239 1100378884 /nfs/dbraw/zinc/37/88/84/1100378884.db2.gz ZGGAGTRRVRYNJD-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+]1CC[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001203236239 1100378892 /nfs/dbraw/zinc/37/88/92/1100378892.db2.gz ZGGAGTRRVRYNJD-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CCC[NH+]1CC[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001203236239 1100378904 /nfs/dbraw/zinc/37/89/04/1100378904.db2.gz ZGGAGTRRVRYNJD-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CC[C@@H](C)C[N@@H+](CC)Cc1ccc(CN2CCOCC2)cc1 ZINC001191375242 1100460148 /nfs/dbraw/zinc/46/01/48/1100460148.db2.gz QHDHZLMWQNLULN-QGZVFWFLSA-N 2 1 304.478 3.387 20 0 DGADMP CC[C@@H](C)C[N@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191375242 1100460151 /nfs/dbraw/zinc/46/01/51/1100460151.db2.gz QHDHZLMWQNLULN-QGZVFWFLSA-N 2 1 304.478 3.387 20 0 DGADMP CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191375242 1100460155 /nfs/dbraw/zinc/46/01/55/1100460155.db2.gz QHDHZLMWQNLULN-QGZVFWFLSA-N 2 1 304.478 3.387 20 0 DGADMP COc1ccc(-c2ccncc2)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001238655602 1100492724 /nfs/dbraw/zinc/49/27/24/1100492724.db2.gz ISCGVDXWVRVCCX-UHFFFAOYSA-N 2 1 313.445 3.141 20 0 DGADMP COc1ccc(-c2ccncc2)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001238655602 1100492725 /nfs/dbraw/zinc/49/27/25/1100492725.db2.gz ISCGVDXWVRVCCX-UHFFFAOYSA-N 2 1 313.445 3.141 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(OCC)ccc3C)C[C@H]2C1 ZINC001238712119 1100509955 /nfs/dbraw/zinc/50/99/55/1100509955.db2.gz NHWZERSBSROCID-QZTJIDSGSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1sc2nc(C[NH+](C)C)nc(C3=CCC[NH2+]CC3)c2c1C ZINC001238937141 1100560195 /nfs/dbraw/zinc/56/01/95/1100560195.db2.gz PNDNBPVQQMYHDL-UHFFFAOYSA-N 2 1 316.474 3.137 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC001205602546 1100627553 /nfs/dbraw/zinc/62/75/53/1100627553.db2.gz JLAKXKRDJMUCSP-CHWSQXEVSA-N 2 1 311.267 3.256 20 0 DGADMP CC(C)[C@H]1CCCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001192652893 1100644597 /nfs/dbraw/zinc/64/45/97/1100644597.db2.gz JBTQQNOXLBYABO-LJQANCHMSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)CC[C@H]1C[NH3+] ZINC001205618284 1100690591 /nfs/dbraw/zinc/69/05/91/1100690591.db2.gz UEBJHJQDAUJEPY-QWRGUYRKSA-N 2 1 302.249 3.195 20 0 DGADMP CC[C@H](C)[C@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001194250698 1100902580 /nfs/dbraw/zinc/90/25/80/1100902580.db2.gz IYFXPYPRLBLAMM-OALUTQOASA-N 2 1 317.521 3.171 20 0 DGADMP CC(C)([NH3+])c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001240477842 1101015178 /nfs/dbraw/zinc/01/51/78/1101015178.db2.gz XRRPGOPHARXLHJ-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP C[NH+](C)Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001240478344 1101015423 /nfs/dbraw/zinc/01/54/23/1101015423.db2.gz YKEAWFWDXPVORP-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP C[N@H+]1CCC=C(c2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC001241568141 1101549857 /nfs/dbraw/zinc/54/98/57/1101549857.db2.gz BLLRNWNUVLOTQI-UHFFFAOYSA-N 2 1 323.362 3.196 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001199143444 1102067358 /nfs/dbraw/zinc/06/73/58/1102067358.db2.gz FUFAMKMIBWSXHJ-OAHLLOKOSA-N 2 1 302.462 3.220 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc(OC4CC4)c3)cn12 ZINC001242806004 1102356007 /nfs/dbraw/zinc/35/60/07/1102356007.db2.gz NOUDTMXHAPITMB-UHFFFAOYSA-N 2 1 305.381 3.229 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1cccc(Br)c1 ZINC001205901178 1102399348 /nfs/dbraw/zinc/39/93/48/1102399348.db2.gz BPXUSUWEPIDQKH-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCc1cccc(Br)c1 ZINC001205901178 1102399336 /nfs/dbraw/zinc/39/93/36/1102399336.db2.gz BPXUSUWEPIDQKH-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901560 1102401081 /nfs/dbraw/zinc/40/10/81/1102401081.db2.gz DFPQWSOHNFCGMT-GHMZBOCLSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901560 1102401084 /nfs/dbraw/zinc/40/10/84/1102401084.db2.gz DFPQWSOHNFCGMT-GHMZBOCLSA-N 2 1 304.331 3.404 20 0 DGADMP C[NH2+]Cc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC001242993344 1102461084 /nfs/dbraw/zinc/46/10/84/1102461084.db2.gz OTAGDVNTSOGXBN-UHFFFAOYSA-N 2 1 310.441 3.214 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cscn1 ZINC001201140802 1102498604 /nfs/dbraw/zinc/49/86/04/1102498604.db2.gz NGFRCUCIBGJASH-UHFFFAOYSA-N 2 1 317.502 3.433 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914524 1102524247 /nfs/dbraw/zinc/52/42/47/1102524247.db2.gz MUMIWQHMKAORJZ-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001205914524 1102524260 /nfs/dbraw/zinc/52/42/60/1102524260.db2.gz MUMIWQHMKAORJZ-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(C2=CC[NH2+]C2)n1 ZINC001243110062 1102530329 /nfs/dbraw/zinc/53/03/29/1102530329.db2.gz VPNNINDYOPUNTG-UHFFFAOYSA-N 2 1 316.474 3.137 20 0 DGADMP CCC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201641694 1102684904 /nfs/dbraw/zinc/68/49/04/1102684904.db2.gz OATCMEBHWQHPQB-INIZCTEOSA-N 2 1 309.404 3.025 20 0 DGADMP CCC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201641694 1102684909 /nfs/dbraw/zinc/68/49/09/1102684909.db2.gz OATCMEBHWQHPQB-INIZCTEOSA-N 2 1 309.404 3.025 20 0 DGADMP CCC[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201641694 1102684912 /nfs/dbraw/zinc/68/49/12/1102684912.db2.gz OATCMEBHWQHPQB-INIZCTEOSA-N 2 1 309.404 3.025 20 0 DGADMP CCC[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201641694 1102684914 /nfs/dbraw/zinc/68/49/14/1102684914.db2.gz OATCMEBHWQHPQB-INIZCTEOSA-N 2 1 309.404 3.025 20 0 DGADMP CSCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201696731 1102691335 /nfs/dbraw/zinc/69/13/35/1102691335.db2.gz PLXNNSGMTZQCBI-UHFFFAOYSA-N 2 1 310.482 3.475 20 0 DGADMP CSCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201696731 1102691341 /nfs/dbraw/zinc/69/13/41/1102691341.db2.gz PLXNNSGMTZQCBI-UHFFFAOYSA-N 2 1 310.482 3.475 20 0 DGADMP CC(C)Oc1cc(F)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243439916 1102721986 /nfs/dbraw/zinc/72/19/86/1102721986.db2.gz RSJLDQIMDHIKLL-UHFFFAOYSA-N 2 1 315.392 3.085 20 0 DGADMP OC1C[NH+](Cc2ccc(-c3ccc(C4=[NH+]CCC4)cc3)cc2)C1 ZINC001243637663 1102873347 /nfs/dbraw/zinc/87/33/47/1102873347.db2.gz RABSYBKXOFDBLB-UHFFFAOYSA-N 2 1 306.409 3.113 20 0 DGADMP OC1C[NH+](Cc2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2)C1 ZINC001243641131 1102878058 /nfs/dbraw/zinc/87/80/58/1102878058.db2.gz RGPCRRKKMCFJMB-UHFFFAOYSA-N 2 1 322.452 3.126 20 0 DGADMP FC(F)(F)CCCN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202394267 1102981479 /nfs/dbraw/zinc/98/14/79/1102981479.db2.gz HGZZSPPDGZPUAY-BETUJISGSA-N 2 1 318.408 3.454 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccccc2-c2cccc3nc[nH]c32)CC1 ZINC001243934288 1103062820 /nfs/dbraw/zinc/06/28/20/1103062820.db2.gz BCBSALKFZDZMKR-UHFFFAOYSA-N 2 1 320.440 3.401 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2cccc3nc[nH]c32)CC1 ZINC001243936454 1103066492 /nfs/dbraw/zinc/06/64/92/1103066492.db2.gz VEZNPNJNDOFNBU-UHFFFAOYSA-N 2 1 306.413 3.153 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(Cc1cnc(C)n1C)C2 ZINC001276304765 1103264865 /nfs/dbraw/zinc/26/48/65/1103264865.db2.gz KYBHPWTZUDBXJW-QGZVFWFLSA-N 2 1 318.509 3.205 20 0 DGADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC001326472540 1103331755 /nfs/dbraw/zinc/33/17/55/1103331755.db2.gz APBKROSSZMHCOK-GSEOLPGOSA-N 2 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC001326472540 1103331768 /nfs/dbraw/zinc/33/17/68/1103331768.db2.gz APBKROSSZMHCOK-GSEOLPGOSA-N 3 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC001326472540 1103331777 /nfs/dbraw/zinc/33/17/77/1103331777.db2.gz APBKROSSZMHCOK-GSEOLPGOSA-N 3 1 315.505 3.017 20 0 DGADMP Fc1cccc(Cl)c1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583410 1103375804 /nfs/dbraw/zinc/37/58/04/1103375804.db2.gz IXHVPHRHGVGWFC-UHFFFAOYSA-N 2 1 310.844 3.487 20 0 DGADMP Clc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c2n[nH]cc21 ZINC001244387765 1103404257 /nfs/dbraw/zinc/40/42/57/1103404257.db2.gz JDIJVGIGSDQROK-UHFFFAOYSA-N 2 1 323.787 3.218 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001326758835 1103431105 /nfs/dbraw/zinc/43/11/05/1103431105.db2.gz YLBIDKUUVKJHHI-HNNXBMFYSA-N 2 1 323.444 3.109 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001326758835 1103431111 /nfs/dbraw/zinc/43/11/11/1103431111.db2.gz YLBIDKUUVKJHHI-HNNXBMFYSA-N 2 1 323.444 3.109 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1F ZINC001327039304 1103503902 /nfs/dbraw/zinc/50/39/02/1103503902.db2.gz OFKWMLNVRHVTEW-MRXNPFEDSA-N 2 1 306.425 3.046 20 0 DGADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001327144988 1103549273 /nfs/dbraw/zinc/54/92/73/1103549273.db2.gz BMSAZBJALVHWNM-ZWKOTPCHSA-N 2 1 323.525 3.044 20 0 DGADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001327206241 1103584344 /nfs/dbraw/zinc/58/43/44/1103584344.db2.gz NIFCQHXPKGNQCA-HZPDHXFCSA-N 2 1 312.461 3.132 20 0 DGADMP C[C@@]1(CO)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001327311293 1103621952 /nfs/dbraw/zinc/62/19/52/1103621952.db2.gz AOOVIGWBKIJUNW-HXUWFJFHSA-N 2 1 316.489 3.267 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)[C@@H]2CCC[C@H]21 ZINC001327891859 1103757013 /nfs/dbraw/zinc/75/70/13/1103757013.db2.gz PFULLXAQFMLEQD-RRQGHBQHSA-N 2 1 310.844 3.484 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]21 ZINC001202497404 1103811075 /nfs/dbraw/zinc/81/10/75/1103811075.db2.gz CUZXPHVMWHZLGE-TTYHFUOFSA-N 2 1 314.473 3.133 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001202497404 1103811090 /nfs/dbraw/zinc/81/10/90/1103811090.db2.gz CUZXPHVMWHZLGE-TTYHFUOFSA-N 2 1 314.473 3.133 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001202497404 1103811110 /nfs/dbraw/zinc/81/11/10/1103811110.db2.gz CUZXPHVMWHZLGE-TTYHFUOFSA-N 2 1 314.473 3.133 20 0 DGADMP Fc1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC001328345144 1103917794 /nfs/dbraw/zinc/91/77/94/1103917794.db2.gz CCBKZFNVWIHBLJ-HNNXBMFYSA-N 2 1 308.416 3.219 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC001328401354 1103933214 /nfs/dbraw/zinc/93/32/14/1103933214.db2.gz WLKOJWPDARARSM-WBMJQRKESA-N 2 1 318.852 3.289 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202722515 1104140373 /nfs/dbraw/zinc/14/03/73/1104140373.db2.gz VIMZPYITQRFTIP-KRWDZBQOSA-N 2 1 318.461 3.135 20 0 DGADMP FC(F)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001329115369 1104158932 /nfs/dbraw/zinc/15/89/32/1104158932.db2.gz VNSNSGCEGILYFJ-QGZVFWFLSA-N 2 1 324.415 3.357 20 0 DGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001202740146 1104198057 /nfs/dbraw/zinc/19/80/57/1104198057.db2.gz SYLNLXDGKGOTRX-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001202740146 1104198060 /nfs/dbraw/zinc/19/80/60/1104198060.db2.gz SYLNLXDGKGOTRX-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001202740146 1104198063 /nfs/dbraw/zinc/19/80/63/1104198063.db2.gz SYLNLXDGKGOTRX-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001202740146 1104198064 /nfs/dbraw/zinc/19/80/64/1104198064.db2.gz SYLNLXDGKGOTRX-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001202740146 1104198067 /nfs/dbraw/zinc/19/80/67/1104198067.db2.gz SYLNLXDGKGOTRX-YSIASYRMSA-N 2 1 313.489 3.414 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001329375667 1104237557 /nfs/dbraw/zinc/23/75/57/1104237557.db2.gz MWQWZDMEXHCNPH-NVXWUHKLSA-N 2 1 313.470 3.384 20 0 DGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001329375667 1104237559 /nfs/dbraw/zinc/23/75/59/1104237559.db2.gz MWQWZDMEXHCNPH-NVXWUHKLSA-N 2 1 313.470 3.384 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH2+][C@@H]1CC[NH2+]C1 ZINC001245979567 1104346246 /nfs/dbraw/zinc/34/62/46/1104346246.db2.gz VUTAVXYZPMMNBI-AEFFLSMTSA-N 2 1 324.896 3.001 20 0 DGADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH2+][C@H]1CC[NH2+]C1 ZINC001245985732 1104347958 /nfs/dbraw/zinc/34/79/58/1104347958.db2.gz VUTAVXYZPMMNBI-FUHWJXTLSA-N 2 1 324.896 3.001 20 0 DGADMP O[C@H](C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246026035 1104353668 /nfs/dbraw/zinc/35/36/68/1104353668.db2.gz CUFMUNNYHGPVNN-MOPGFXCFSA-N 2 1 320.452 3.105 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC1(O)CC[NH2+]CC1 ZINC001246037936 1104357315 /nfs/dbraw/zinc/35/73/15/1104357315.db2.gz TXAVWOBQOYEDPU-SFHVURJKSA-N 2 1 324.468 3.364 20 0 DGADMP Fc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246074485 1104366438 /nfs/dbraw/zinc/36/64/38/1104366438.db2.gz PPTPANBJFHMAQY-RTBURBONSA-N 2 1 316.395 3.418 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246074853 1104370774 /nfs/dbraw/zinc/37/07/74/1104370774.db2.gz RAUKKDWOEBTMMG-CVEARBPZSA-N 2 1 306.450 3.104 20 0 DGADMP COC(=O)[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C1CCCCC1 ZINC001246078122 1104371313 /nfs/dbraw/zinc/37/13/13/1104371313.db2.gz GZMFMUCWERWYHE-QGZVFWFLSA-N 2 1 322.493 3.010 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246079885 1104374357 /nfs/dbraw/zinc/37/43/57/1104374357.db2.gz LABQKBMVIAJMQS-KGLIPLIRSA-N 2 1 316.367 3.451 20 0 DGADMP C(CC[NH+]1CCNCC1)C[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246088930 1104378959 /nfs/dbraw/zinc/37/89/59/1104378959.db2.gz MTIFTXWZLHDMLD-SFHVURJKSA-N 2 1 307.526 3.155 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246095420 1104381519 /nfs/dbraw/zinc/38/15/19/1104381519.db2.gz ILPNUFVHPAZCAU-VROUVPMXSA-N 2 1 315.505 3.016 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246110273 1104391015 /nfs/dbraw/zinc/39/10/15/1104391015.db2.gz HZYLFYQITVTFQC-NEWSRXKRSA-N 2 1 319.468 3.049 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH2+]C1 ZINC001246114549 1104392657 /nfs/dbraw/zinc/39/26/57/1104392657.db2.gz PXXTVAVQQBGEPI-IZBJGVDFSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246116523 1104395453 /nfs/dbraw/zinc/39/54/53/1104395453.db2.gz NHTXSTWKUCCETF-AMJWSMQMSA-N 2 1 302.796 3.137 20 0 DGADMP CC[C@H]1CC([NH2+]Cc2ccc(C(F)(F)F)n2C)C[C@H](CC)[NH2+]1 ZINC001246122115 1104396827 /nfs/dbraw/zinc/39/68/27/1104396827.db2.gz VTGKJSPTTMATLF-RYUDHWBXSA-N 2 1 317.399 3.443 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246130289 1104400032 /nfs/dbraw/zinc/40/00/32/1104400032.db2.gz GXIRRFOWRBFXMS-VBNZEHGJSA-N 2 1 323.278 3.254 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246145328 1104404884 /nfs/dbraw/zinc/40/48/84/1104404884.db2.gz MEKLFTWFLIDWDB-BONVTDFDSA-N 2 1 320.786 3.231 20 0 DGADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCCC[C@@]34C[NH2+]CCO4)C2)cc1 ZINC001246162435 1104412082 /nfs/dbraw/zinc/41/20/82/1104412082.db2.gz YEZLEWNQDQRNDG-FUMNGEBKSA-N 2 1 314.473 3.214 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246164876 1104414019 /nfs/dbraw/zinc/41/40/19/1104414019.db2.gz CNHPNGBEOOSQDK-WOJBJXKFSA-N 2 1 323.484 3.206 20 0 DGADMP O=C(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246167628 1104415486 /nfs/dbraw/zinc/41/54/86/1104415486.db2.gz VMCZZPHOXCCFFY-YOFSQIOKSA-N 2 1 320.436 3.290 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167709 1104415827 /nfs/dbraw/zinc/41/58/27/1104415827.db2.gz DUAPOPJUBJCJGK-QRVBRYPASA-N 3 1 321.553 3.399 20 0 DGADMP CCCC[C@@H]1C[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246170049 1104417579 /nfs/dbraw/zinc/41/75/79/1104417579.db2.gz LBAQHHRQWXBRGK-FCGDIQPGSA-N 2 1 309.542 3.255 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246170049 1104417582 /nfs/dbraw/zinc/41/75/82/1104417582.db2.gz LBAQHHRQWXBRGK-FCGDIQPGSA-N 3 1 309.542 3.255 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246170049 1104417589 /nfs/dbraw/zinc/41/75/89/1104417589.db2.gz LBAQHHRQWXBRGK-FCGDIQPGSA-N 3 1 309.542 3.255 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H](C)[NH2+]1 ZINC001246176573 1104422499 /nfs/dbraw/zinc/42/24/99/1104422499.db2.gz GLBKPIINPFJANT-XOIINTDNSA-N 2 1 318.461 3.261 20 0 DGADMP c1ccc(N2CCCCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246180388 1104424124 /nfs/dbraw/zinc/42/41/24/1104424124.db2.gz JQVSFVXOIPYYLF-DFNIBXOVSA-N 2 1 313.489 3.440 20 0 DGADMP CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246179941 1104424601 /nfs/dbraw/zinc/42/46/01/1104424601.db2.gz PCVAWMFLENMFHN-JTDSTZFVSA-N 2 1 324.509 3.255 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001246199606 1104434448 /nfs/dbraw/zinc/43/44/48/1104434448.db2.gz KXINUHUNVBGYFD-GVDBMIGSSA-N 2 1 312.498 3.256 20 0 DGADMP CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246199795 1104434555 /nfs/dbraw/zinc/43/45/55/1104434555.db2.gz LHURAEFVUAMDAF-IRXDYDNUSA-N 2 1 322.493 3.010 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246202223 1104435463 /nfs/dbraw/zinc/43/54/63/1104435463.db2.gz SKQIIUCBTNFATG-GVDBMIGSSA-N 2 1 322.493 3.010 20 0 DGADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C)(C)CC1 ZINC001246202866 1104435632 /nfs/dbraw/zinc/43/56/32/1104435632.db2.gz OPRVEHBABSKUML-HNNXBMFYSA-N 2 1 312.498 3.384 20 0 DGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207381 1104436980 /nfs/dbraw/zinc/43/69/80/1104436980.db2.gz PSEWQYKXTKBDHS-JYJNAYRXSA-N 2 1 314.514 3.486 20 0 DGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207070 1104437480 /nfs/dbraw/zinc/43/74/80/1104437480.db2.gz NPQBJFMIPKCAQU-ZNMIVQPWSA-N 2 1 300.487 3.240 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246208111 1104437592 /nfs/dbraw/zinc/43/75/92/1104437592.db2.gz CKCWOLJUAREDAZ-KLICCBINSA-N 3 1 319.468 3.034 20 0 DGADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207067 1104437648 /nfs/dbraw/zinc/43/76/48/1104437648.db2.gz NPQBJFMIPKCAQU-ILXRZTDVSA-N 2 1 300.487 3.240 20 0 DGADMP CC(C)CC(CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206683 1104437671 /nfs/dbraw/zinc/43/76/71/1104437671.db2.gz KPCFYVUYESSGLY-INIZCTEOSA-N 2 1 314.514 3.486 20 0 DGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246218767 1104441878 /nfs/dbraw/zinc/44/18/78/1104441878.db2.gz DMMYOJBNWMSBGX-PBHICJAKSA-N 2 1 310.432 3.405 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246222873 1104444795 /nfs/dbraw/zinc/44/47/95/1104444795.db2.gz SJYTZKNYPRMHQZ-NSHDSACASA-N 2 1 316.367 3.334 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246226495 1104447418 /nfs/dbraw/zinc/44/74/18/1104447418.db2.gz QVZLWLBEOJDTAP-QWHCGFSZSA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H]1C[C@@H](NCC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243605 1104455803 /nfs/dbraw/zinc/45/58/03/1104455803.db2.gz JNQLOSRBZWSFDF-RLLQIKCJSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[NH2+]1 ZINC001246276198 1104468722 /nfs/dbraw/zinc/46/87/22/1104468722.db2.gz KNSJPTNHELQWGR-SIIHOXLZSA-N 2 1 306.425 3.024 20 0 DGADMP C[C@H]1CC([NH2+]CC[C@H]2CCC[NH2+]2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246274948 1104469586 /nfs/dbraw/zinc/46/95/86/1104469586.db2.gz XITXBNTVHXTKOG-JENIJYKNSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246300565 1104478665 /nfs/dbraw/zinc/47/86/65/1104478665.db2.gz RUGDLGUAOIUZMQ-PBHICJAKSA-N 2 1 318.461 3.466 20 0 DGADMP CC[C@@H]1CC(NC[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246300360 1104479468 /nfs/dbraw/zinc/47/94/68/1104479468.db2.gz RFMSAUMFPMZQQH-QWFCFKBJSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1CC(NC[C@H]2CC[N@H+]2Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246300360 1104479472 /nfs/dbraw/zinc/47/94/72/1104479472.db2.gz RFMSAUMFPMZQQH-QWFCFKBJSA-N 2 1 315.505 3.160 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298371 1104479564 /nfs/dbraw/zinc/47/95/64/1104479564.db2.gz AIFXVDYXWQSCJA-FHWLQOOXSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298371 1104479571 /nfs/dbraw/zinc/47/95/71/1104479571.db2.gz AIFXVDYXWQSCJA-FHWLQOOXSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC001246323393 1104489735 /nfs/dbraw/zinc/48/97/35/1104489735.db2.gz DOOLFSKAJFPFJO-KFNAQCHYSA-N 2 1 323.278 3.037 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1C[NH2+]CCC1(C)C)CC2 ZINC001246333722 1104495891 /nfs/dbraw/zinc/49/58/91/1104495891.db2.gz WMTOCIYESOTPGF-SJCJKPOMSA-N 2 1 322.880 3.184 20 0 DGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001246332696 1104496358 /nfs/dbraw/zinc/49/63/58/1104496358.db2.gz SLBKGNCGSPYFLZ-ACBHZAAOSA-N 2 1 316.489 3.492 20 0 DGADMP [NH3+][C@@]12CC[C@@](NC3CC[NH+](Cc4ccccc4)CC3)(C1)CCC2 ZINC001246341066 1104498994 /nfs/dbraw/zinc/49/89/94/1104498994.db2.gz OEBOIVJLZFSOLF-VQTJNVASSA-N 2 1 313.489 3.045 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246342480 1104499532 /nfs/dbraw/zinc/49/95/32/1104499532.db2.gz AGLHARNNJNDWLL-INIZCTEOSA-N 2 1 309.885 3.272 20 0 DGADMP COc1ccccc1C1([NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)CCC1 ZINC001246361377 1104508048 /nfs/dbraw/zinc/50/80/48/1104508048.db2.gz KVJLLGJPYTZFOA-NVXWUHKLSA-N 2 1 302.462 3.441 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC001246367808 1104511934 /nfs/dbraw/zinc/51/19/34/1104511934.db2.gz SADRWFLCQMUQPN-VQIMIIECSA-N 3 1 307.526 3.009 20 0 DGADMP CCCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246405030 1104528789 /nfs/dbraw/zinc/52/87/89/1104528789.db2.gz KBNAPYORAPRXIB-AEFFLSMTSA-N 2 1 320.477 3.396 20 0 DGADMP CCCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246404214 1104529468 /nfs/dbraw/zinc/52/94/68/1104529468.db2.gz FOHGZWMABWWYRH-ROUUACIJSA-N 2 1 320.477 3.396 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccnc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410030 1104531255 /nfs/dbraw/zinc/53/12/55/1104531255.db2.gz FKQBOTOHRXAREO-GOEBONIOSA-N 2 1 323.431 3.302 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3cccnc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410031 1104531311 /nfs/dbraw/zinc/53/13/11/1104531311.db2.gz FKQBOTOHRXAREO-HOCLYGCPSA-N 2 1 323.431 3.302 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001246413102 1104532844 /nfs/dbraw/zinc/53/28/44/1104532844.db2.gz FWQBCTULRCSAQA-LSDHHAIUSA-N 2 1 324.509 3.255 20 0 DGADMP Fc1ccccc1CC1([NH2+][C@@H]2CC[NH2+]C2)CCC(F)(F)CC1 ZINC001246417376 1104535071 /nfs/dbraw/zinc/53/50/71/1104535071.db2.gz UTNRPBGAMCZTEA-CQSZACIVSA-N 2 1 312.379 3.268 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CCC2)cc1 ZINC001246429674 1104536085 /nfs/dbraw/zinc/53/60/85/1104536085.db2.gz CJPPVZMRCUZEGX-WBVHZDCISA-N 2 1 302.462 3.138 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246441554 1104542357 /nfs/dbraw/zinc/54/23/57/1104542357.db2.gz IYGLEIRELYPEAI-BHIYHBOVSA-N 2 1 303.494 3.065 20 0 DGADMP CC[C@]1([NH2+][C@H](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC001246466538 1104551853 /nfs/dbraw/zinc/55/18/53/1104551853.db2.gz WHVVKIVLLILPIR-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001246495906 1104565427 /nfs/dbraw/zinc/56/54/27/1104565427.db2.gz LWKOGFCHOFQNOY-GOSISDBHSA-N 2 1 303.494 3.148 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCNc3cc(Br)ccc32)CC[NH2+]1 ZINC001246501441 1104567338 /nfs/dbraw/zinc/56/73/38/1104567338.db2.gz SLRZKXRILREXJC-SUHUHFCYSA-N 2 1 324.266 3.036 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]3C[C@H]31)C2 ZINC001246504454 1104568318 /nfs/dbraw/zinc/56/83/18/1104568318.db2.gz RDXWZXKHSGOHGH-HTWGDNNSSA-N 2 1 311.256 3.048 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CC2 ZINC001246502022 1104568491 /nfs/dbraw/zinc/56/84/91/1104568491.db2.gz CRISJMYYKMLOGK-OLZOCXBDSA-N 2 1 310.869 3.169 20 0 DGADMP FC(F)(F)c1ccc(OCCCCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC001246518123 1104574820 /nfs/dbraw/zinc/57/48/20/1104574820.db2.gz OKDWXHZHDFYUTL-AWEZNQCLSA-N 2 1 316.367 3.206 20 0 DGADMP CC[C@H]1CC([NH+]2CCN(c3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246520151 1104576213 /nfs/dbraw/zinc/57/62/13/1104576213.db2.gz RBBAHCQKUSJCGS-IRXDYDNUSA-N 2 1 301.478 3.118 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246536563 1104581675 /nfs/dbraw/zinc/58/16/75/1104581675.db2.gz QVAFZNBPOYNXRZ-NXHRZFHOSA-N 2 1 304.478 3.479 20 0 DGADMP CCOc1ccc(F)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1F ZINC001275022540 1104581651 /nfs/dbraw/zinc/58/16/51/1104581651.db2.gz FVUQQWKDKKXGLR-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCOc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1F ZINC001275022540 1104581661 /nfs/dbraw/zinc/58/16/61/1104581661.db2.gz FVUQQWKDKKXGLR-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246539798 1104583943 /nfs/dbraw/zinc/58/39/43/1104583943.db2.gz SGTDFTVWKHKBCI-LJQANCHMSA-N 3 1 315.505 3.100 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246539798 1104583953 /nfs/dbraw/zinc/58/39/53/1104583953.db2.gz SGTDFTVWKHKBCI-LJQANCHMSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538683 1104584107 /nfs/dbraw/zinc/58/41/07/1104584107.db2.gz FFZZKULYAYMUKA-OUCADQQQSA-N 2 1 300.368 3.163 20 0 DGADMP CCc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001275031603 1104584570 /nfs/dbraw/zinc/58/45/70/1104584570.db2.gz UHYTVGHWAQNXIT-HXUWFJFHSA-N 2 1 316.489 3.435 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001275031603 1104584579 /nfs/dbraw/zinc/58/45/79/1104584579.db2.gz UHYTVGHWAQNXIT-HXUWFJFHSA-N 2 1 316.489 3.435 20 0 DGADMP CCc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc(CC)c1O ZINC001275031603 1104584585 /nfs/dbraw/zinc/58/45/85/1104584585.db2.gz UHYTVGHWAQNXIT-HXUWFJFHSA-N 2 1 316.489 3.435 20 0 DGADMP CCc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc(CC)c1O ZINC001275031603 1104584588 /nfs/dbraw/zinc/58/45/88/1104584588.db2.gz UHYTVGHWAQNXIT-HXUWFJFHSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246540251 1104585019 /nfs/dbraw/zinc/58/50/19/1104585019.db2.gz FWMCMHBFSBRGPN-GCLMUHHRSA-N 2 1 315.505 3.240 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001246545526 1104587301 /nfs/dbraw/zinc/58/73/01/1104587301.db2.gz BQMSRLZEOUSXPD-SQNIBIBYSA-N 2 1 306.425 3.060 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546060 1104588306 /nfs/dbraw/zinc/58/83/06/1104588306.db2.gz ZBSVTYDTWGJDJM-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546060 1104588313 /nfs/dbraw/zinc/58/83/13/1104588313.db2.gz ZBSVTYDTWGJDJM-IUODEOHRSA-N 2 1 311.267 3.193 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC001246548024 1104588359 /nfs/dbraw/zinc/58/83/59/1104588359.db2.gz DWGBENQHJIGTNN-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549303 1104590057 /nfs/dbraw/zinc/59/00/57/1104590057.db2.gz ICRWTIOOWFTSJY-YZGWKJHDSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549303 1104590065 /nfs/dbraw/zinc/59/00/65/1104590065.db2.gz ICRWTIOOWFTSJY-YZGWKJHDSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246549303 1104590074 /nfs/dbraw/zinc/59/00/74/1104590074.db2.gz ICRWTIOOWFTSJY-YZGWKJHDSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001246555420 1104592902 /nfs/dbraw/zinc/59/29/02/1104592902.db2.gz FCQUAOGNMVUCHB-LULLPPNCSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC[C@H]1C[NH3+] ZINC001246561492 1104594468 /nfs/dbraw/zinc/59/44/68/1104594468.db2.gz TZVQYAAYCMBERJ-IVMMDQJWSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246560319 1104595160 /nfs/dbraw/zinc/59/51/60/1104595160.db2.gz CLKUWLLDKVULCD-HUUCEWRRSA-N 2 1 321.896 3.368 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC[C@H]1C[NH3+] ZINC001246558056 1104595204 /nfs/dbraw/zinc/59/52/04/1104595204.db2.gz MAUIDBLLLZAVKG-DVOMOZLQSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3cccc(F)c3)CC2)CC[C@H]1C[NH3+] ZINC001246560644 1104595699 /nfs/dbraw/zinc/59/56/99/1104595699.db2.gz RIXBBDBBPQVASX-CVEARBPZSA-N 2 1 319.468 3.101 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(c3ccccc3)CC2)CC1 ZINC001246577312 1104601893 /nfs/dbraw/zinc/60/18/93/1104601893.db2.gz OCZUHHRUASGCMR-IBGZPJMESA-N 2 1 301.478 3.106 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001246579968 1104604900 /nfs/dbraw/zinc/60/49/00/1104604900.db2.gz DTMSPVINNLLDHD-AAEUAGOBSA-N 2 1 312.379 3.022 20 0 DGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(Cc3cc(C)nn3C)C2)C1 ZINC001275066496 1104605533 /nfs/dbraw/zinc/60/55/33/1104605533.db2.gz XCCWCIHCQSPFHM-LPHOPBHVSA-N 2 1 318.509 3.063 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C)CC2 ZINC001246589846 1104607848 /nfs/dbraw/zinc/60/78/48/1104607848.db2.gz GZHQWHFCYYERGR-BFHYXJOUSA-N 2 1 322.880 3.265 20 0 DGADMP CC(C)[N@@H+]([C@H]1CCN[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589889 1104608050 /nfs/dbraw/zinc/60/80/50/1104608050.db2.gz GDVKZOLBTXMJQV-HSALFYBXSA-N 2 1 315.505 3.332 20 0 DGADMP CC(C)N([C@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589889 1104608055 /nfs/dbraw/zinc/60/80/55/1104608055.db2.gz GDVKZOLBTXMJQV-HSALFYBXSA-N 2 1 315.505 3.332 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1)C2 ZINC001246589294 1104608106 /nfs/dbraw/zinc/60/81/06/1104608106.db2.gz FGJDYBMBMCPTGZ-QZTJIDSGSA-N 2 1 316.489 3.405 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246592535 1104609402 /nfs/dbraw/zinc/60/94/02/1104609402.db2.gz KCCGBAVHBCZQNA-FUHWJXTLSA-N 2 1 304.478 3.479 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591172 1104609846 /nfs/dbraw/zinc/60/98/46/1104609846.db2.gz MFKQFPXGJPQOSU-KFWWJZLASA-N 2 1 322.415 3.077 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC001246591172 1104609852 /nfs/dbraw/zinc/60/98/52/1104609852.db2.gz MFKQFPXGJPQOSU-KFWWJZLASA-N 2 1 322.415 3.077 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](CC)C[C@H](C)CC)C[C@@H]1C[NH2+]CCC2 ZINC001246593501 1104610526 /nfs/dbraw/zinc/61/05/26/1104610526.db2.gz GUDDSIRXWSDFCP-DFEOGRTESA-N 2 1 324.509 3.066 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246591919 1104610887 /nfs/dbraw/zinc/61/08/87/1104610887.db2.gz VRJQJRWGFVNROH-BYCMXARLSA-N 2 1 318.358 3.398 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246591919 1104610893 /nfs/dbraw/zinc/61/08/93/1104610893.db2.gz VRJQJRWGFVNROH-BYCMXARLSA-N 2 1 318.358 3.398 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593932 1104612468 /nfs/dbraw/zinc/61/24/68/1104612468.db2.gz PEFXWTQWYHAJHA-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593932 1104612473 /nfs/dbraw/zinc/61/24/73/1104612473.db2.gz PEFXWTQWYHAJHA-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC001246593932 1104612477 /nfs/dbraw/zinc/61/24/77/1104612477.db2.gz PEFXWTQWYHAJHA-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP COc1cccc(C[C@@H](C)[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001246595958 1104615041 /nfs/dbraw/zinc/61/50/41/1104615041.db2.gz UHWJAXDEZFJJKE-SJLPKXTDSA-N 2 1 304.478 3.479 20 0 DGADMP CCOC(=O)[C@@]12C[N@H+]([C@H](C)CCCC(C)C)C[C@@H]1C[NH2+]CCC2 ZINC001246600013 1104616013 /nfs/dbraw/zinc/61/60/13/1104616013.db2.gz COAAOZXQXABBMC-AOIWGVFYSA-N 2 1 324.509 3.066 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](CC)C[C@H](C)CC)CC[NH2+]CC2 ZINC001246599527 1104616152 /nfs/dbraw/zinc/61/61/52/1104616152.db2.gz DQWOFJYCFOUTBB-IKGGRYGDSA-N 2 1 324.509 3.208 20 0 DGADMP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246603673 1104619739 /nfs/dbraw/zinc/61/97/39/1104619739.db2.gz FPAIPVSQQQNBLR-QAPCUYQASA-N 2 1 304.865 3.415 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3nc(Cl)ccc13)CC2 ZINC001275095963 1104620293 /nfs/dbraw/zinc/62/02/93/1104620293.db2.gz VAYRUJRFOHAJJC-UHFFFAOYSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095904 1104621112 /nfs/dbraw/zinc/62/11/12/1104621112.db2.gz TVHYGWRJFXATEG-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095904 1104621116 /nfs/dbraw/zinc/62/11/16/1104621116.db2.gz TVHYGWRJFXATEG-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095904 1104621120 /nfs/dbraw/zinc/62/11/20/1104621120.db2.gz TVHYGWRJFXATEG-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001275095904 1104621124 /nfs/dbraw/zinc/62/11/24/1104621124.db2.gz TVHYGWRJFXATEG-KRWDZBQOSA-N 2 1 318.852 3.134 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246606187 1104622304 /nfs/dbraw/zinc/62/23/04/1104622304.db2.gz MOICVDKCGUPLRT-YLJYHZDGSA-N 2 1 314.473 3.161 20 0 DGADMP CCCCC[C@@H](CC)[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246606968 1104622472 /nfs/dbraw/zinc/62/24/72/1104622472.db2.gz YOVGBAQHBJDIGX-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246607614 1104624140 /nfs/dbraw/zinc/62/41/40/1104624140.db2.gz UKHQOOOWAZOTQT-LJQANCHMSA-N 2 1 316.489 3.242 20 0 DGADMP CC(C)CC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275102499 1104624215 /nfs/dbraw/zinc/62/42/15/1104624215.db2.gz PBOZBUBMBXRRPF-UHFFFAOYSA-N 2 1 318.509 3.107 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246609375 1104624275 /nfs/dbraw/zinc/62/42/75/1104624275.db2.gz MZVYAXBRAVSXSY-FQEVSTJZSA-N 3 1 321.553 3.353 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246609375 1104624279 /nfs/dbraw/zinc/62/42/79/1104624279.db2.gz MZVYAXBRAVSXSY-FQEVSTJZSA-N 3 1 321.553 3.353 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001246610576 1104626830 /nfs/dbraw/zinc/62/68/30/1104626830.db2.gz PNKLGRCWRKMIDN-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP CCC[N@H+]1Cc2ccccc2C2(CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC001275103710 1104627421 /nfs/dbraw/zinc/62/74/21/1104627421.db2.gz OCQVPSZPOIONQL-UHFFFAOYSA-N 2 1 324.472 3.169 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620702 1104631396 /nfs/dbraw/zinc/63/13/96/1104631396.db2.gz OAQDNOHCFKQNQV-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620702 1104631398 /nfs/dbraw/zinc/63/13/98/1104631398.db2.gz OAQDNOHCFKQNQV-ROUUACIJSA-N 2 1 304.865 3.415 20 0 DGADMP CC(C)COCC[C@@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617569 1104631573 /nfs/dbraw/zinc/63/15/73/1104631573.db2.gz DNWQTNYSERYRKW-IEBWSBKVSA-N 2 1 316.489 3.127 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246625139 1104632688 /nfs/dbraw/zinc/63/26/88/1104632688.db2.gz RIDCXTYFZCLQEI-OXQOHEQNSA-N 2 1 324.443 3.446 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627397 1104634693 /nfs/dbraw/zinc/63/46/93/1104634693.db2.gz JLQBREVTEDNJEP-CXAGYDPISA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627397 1104634695 /nfs/dbraw/zinc/63/46/95/1104634695.db2.gz JLQBREVTEDNJEP-CXAGYDPISA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631001 1104635997 /nfs/dbraw/zinc/63/59/97/1104635997.db2.gz NELBIBXFFXACME-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631504 1104636014 /nfs/dbraw/zinc/63/60/14/1104636014.db2.gz QAEGVBKCKLTMIE-CJNGLKHVSA-N 2 1 312.379 3.322 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC001246630380 1104636196 /nfs/dbraw/zinc/63/61/96/1104636196.db2.gz JPNDTNPMFNZQDD-AQEOSJORSA-N 2 1 308.510 3.292 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246630253 1104636760 /nfs/dbraw/zinc/63/67/60/1104636760.db2.gz HYAIHISTXCYAMZ-QFBILLFUSA-N 2 1 320.427 3.430 20 0 DGADMP CCCCCC[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001275126594 1104638453 /nfs/dbraw/zinc/63/84/53/1104638453.db2.gz NHTJXUGZVOZNHL-UHFFFAOYSA-N 2 1 309.542 3.306 20 0 DGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246632638 1104638721 /nfs/dbraw/zinc/63/87/21/1104638721.db2.gz YPZSIQUKDVUPKN-MTQWCTHYSA-N 2 1 314.473 3.023 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246639616 1104640517 /nfs/dbraw/zinc/64/05/17/1104640517.db2.gz QETWBPBKMXUVKU-INIZCTEOSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C1CCCCC1)CC2 ZINC001246637295 1104640940 /nfs/dbraw/zinc/64/09/40/1104640940.db2.gz NDUDLBIFAKVOKP-UHFFFAOYSA-N 2 1 314.473 3.465 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246644690 1104642453 /nfs/dbraw/zinc/64/24/53/1104642453.db2.gz LHNGYCCIQQRVQA-AEFFLSMTSA-N 2 1 324.509 3.353 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246648190 1104645584 /nfs/dbraw/zinc/64/55/84/1104645584.db2.gz LCWYJUUDRWFFMQ-PMACEKPBSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648190 1104645589 /nfs/dbraw/zinc/64/55/89/1104645589.db2.gz LCWYJUUDRWFFMQ-PMACEKPBSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648190 1104645593 /nfs/dbraw/zinc/64/55/93/1104645593.db2.gz LCWYJUUDRWFFMQ-PMACEKPBSA-N 2 1 316.489 3.242 20 0 DGADMP COc1cccc(C[C@@H](C)[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001246649788 1104645871 /nfs/dbraw/zinc/64/58/71/1104645871.db2.gz FBMKTDAUDVLTDT-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001246649788 1104645875 /nfs/dbraw/zinc/64/58/75/1104645875.db2.gz FBMKTDAUDVLTDT-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653359 1104648951 /nfs/dbraw/zinc/64/89/51/1104648951.db2.gz SJPYVZGHGCVEEI-OFQRWUPVSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653359 1104648956 /nfs/dbraw/zinc/64/89/56/1104648956.db2.gz SJPYVZGHGCVEEI-OFQRWUPVSA-N 2 1 308.491 3.364 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC(C)(C)C1 ZINC001246653039 1104649301 /nfs/dbraw/zinc/64/93/01/1104649301.db2.gz CERWEKHPVFGWIX-OSFYFWSMSA-N 2 1 304.400 3.285 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N3CCC([C@@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656160 1104651471 /nfs/dbraw/zinc/65/14/71/1104651471.db2.gz MNLOAGHEUWXBRO-PMACEKPBSA-N 2 1 319.537 3.248 20 0 DGADMP C1CCC(N2CCC[C@H]([NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)C2)C1 ZINC001246656160 1104651476 /nfs/dbraw/zinc/65/14/76/1104651476.db2.gz MNLOAGHEUWXBRO-PMACEKPBSA-N 2 1 319.537 3.248 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3CC2)c1 ZINC001275153593 1104651871 /nfs/dbraw/zinc/65/18/71/1104651871.db2.gz NNTJKCSWCAVULV-HDICACEKSA-N 2 1 301.478 3.349 20 0 DGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](CC4CCCC4)C[C@H]3CC2)c1 ZINC001275153593 1104651875 /nfs/dbraw/zinc/65/18/75/1104651875.db2.gz NNTJKCSWCAVULV-HDICACEKSA-N 2 1 301.478 3.349 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](CC4CCCC4)C[C@H]3CC2)c1 ZINC001275153593 1104651880 /nfs/dbraw/zinc/65/18/80/1104651880.db2.gz NNTJKCSWCAVULV-HDICACEKSA-N 2 1 301.478 3.349 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC001246667065 1104654193 /nfs/dbraw/zinc/65/41/93/1104654193.db2.gz XQTCYQVBWNAVPJ-NWTFUFRBSA-N 2 1 310.441 3.058 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666164 1104654625 /nfs/dbraw/zinc/65/46/25/1104654625.db2.gz HTABIQCXBWFBAX-NWANDNLSSA-N 2 1 312.379 3.178 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1C[C@@H]3C[NH2+]CC[C@@H]31)CC2 ZINC001246672653 1104655779 /nfs/dbraw/zinc/65/57/79/1104655779.db2.gz KFKVMFNXOHIGAY-ZENOOKHLSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1C[C@@H]3C[NH2+]CC[C@@H]31)CC2 ZINC001246672653 1104655783 /nfs/dbraw/zinc/65/57/83/1104655783.db2.gz KFKVMFNXOHIGAY-ZENOOKHLSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH2+]CC[C@@H]31)C2 ZINC001246676067 1104657162 /nfs/dbraw/zinc/65/71/62/1104657162.db2.gz SBJKDXBHLWUZPR-FFSVYQOJSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1C[C@H]3C[NH2+]CC[C@@H]31)C2 ZINC001246676067 1104657163 /nfs/dbraw/zinc/65/71/63/1104657163.db2.gz SBJKDXBHLWUZPR-FFSVYQOJSA-N 2 1 311.256 3.144 20 0 DGADMP C1CCC2(CC1)C[C@H]([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CC[NH2+]2 ZINC001246677135 1104658451 /nfs/dbraw/zinc/65/84/51/1104658451.db2.gz GRWDDCIZBZAWFT-CEXWTWQISA-N 3 1 319.537 3.153 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246679588 1104660448 /nfs/dbraw/zinc/66/04/48/1104660448.db2.gz WCEMBKQQMBHWMH-IEWDOMPSSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692756 1104663743 /nfs/dbraw/zinc/66/37/43/1104663743.db2.gz OMNWUNQBSIYJTJ-KBRIMQKVSA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692756 1104663747 /nfs/dbraw/zinc/66/37/47/1104663747.db2.gz OMNWUNQBSIYJTJ-KBRIMQKVSA-N 2 1 310.844 3.295 20 0 DGADMP C(C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1)C1CCOCC1 ZINC001275176439 1104666101 /nfs/dbraw/zinc/66/61/01/1104666101.db2.gz WJHWSWBGFKFGJU-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP C(C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1)C1CCOCC1 ZINC001275176439 1104666107 /nfs/dbraw/zinc/66/61/07/1104666107.db2.gz WJHWSWBGFKFGJU-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP CC[C@@H]1C[C@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774413 1104668418 /nfs/dbraw/zinc/66/84/18/1104668418.db2.gz FARGNRQHPIZNRZ-FUMNGEBKSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1C[C@H](N2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774413 1104668422 /nfs/dbraw/zinc/66/84/22/1104668422.db2.gz FARGNRQHPIZNRZ-FUMNGEBKSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774418 1104668935 /nfs/dbraw/zinc/66/89/35/1104668935.db2.gz FARGNRQHPIZNRZ-YRPNKDGESA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1C[C@@H](N2CCN(C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774418 1104668939 /nfs/dbraw/zinc/66/89/39/1104668939.db2.gz FARGNRQHPIZNRZ-YRPNKDGESA-N 2 1 315.505 3.284 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001246776937 1104668976 /nfs/dbraw/zinc/66/89/76/1104668976.db2.gz JRXKCAWWSMDEFK-LSTHTHJFSA-N 2 1 316.489 3.097 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC[NH2+]1 ZINC001246779496 1104670094 /nfs/dbraw/zinc/67/00/94/1104670094.db2.gz IEKVVFBKEPUDDU-RTBURBONSA-N 3 1 309.542 3.349 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246781418 1104670298 /nfs/dbraw/zinc/67/02/98/1104670298.db2.gz FGQXEBFKBSODME-ZMMAXQRCSA-N 2 1 300.446 3.203 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246783003 1104672277 /nfs/dbraw/zinc/67/22/77/1104672277.db2.gz VEJXIMFPXPQBQG-OCCSQVGLSA-N 2 1 316.367 3.187 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246783274 1104672541 /nfs/dbraw/zinc/67/25/41/1104672541.db2.gz SPFCTHPNLMBQGV-YYAJDYIMSA-N 2 1 318.461 3.067 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)cc1 ZINC001246785658 1104673892 /nfs/dbraw/zinc/67/38/92/1104673892.db2.gz LNAJAFPQGIIFEB-WMZOPIPTSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246787566 1104674974 /nfs/dbraw/zinc/67/49/74/1104674974.db2.gz RKYYLLGDBRGIAE-XMTFNYHQSA-N 2 1 302.462 3.367 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791562 1104677728 /nfs/dbraw/zinc/67/77/28/1104677728.db2.gz LJWUIOBIRGBKKH-CYBMUJFWSA-N 2 1 323.278 3.066 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246791477 1104678389 /nfs/dbraw/zinc/67/83/89/1104678389.db2.gz JJSOTDJNAGTVII-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246794944 1104679325 /nfs/dbraw/zinc/67/93/25/1104679325.db2.gz GNTCKMRJHOMEFD-SFNKJDCFSA-N 2 1 317.477 3.234 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246804084 1104682620 /nfs/dbraw/zinc/68/26/20/1104682620.db2.gz LAXMNSSRDREION-KPEUIFRASA-N 2 1 320.502 3.314 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246804084 1104682627 /nfs/dbraw/zinc/68/26/27/1104682627.db2.gz LAXMNSSRDREION-KPEUIFRASA-N 2 1 320.502 3.314 20 0 DGADMP CC[C@@H]1C[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246803181 1104682721 /nfs/dbraw/zinc/68/27/21/1104682721.db2.gz MMWHNSDTGJGWPX-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001246810928 1104685182 /nfs/dbraw/zinc/68/51/82/1104685182.db2.gz NHKMHTZCKGSRMN-ABHNRTSZSA-N 2 1 321.896 3.159 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246811972 1104687282 /nfs/dbraw/zinc/68/72/82/1104687282.db2.gz BBQFKTDCHQLWAX-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246814780 1104688119 /nfs/dbraw/zinc/68/81/19/1104688119.db2.gz RZQWTOSFJAYGOA-HKUYNNGSSA-N 2 1 302.462 3.092 20 0 DGADMP COc1cccc(CC[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246814669 1104688177 /nfs/dbraw/zinc/68/81/77/1104688177.db2.gz RBRKQBAOFOXTLF-UHFFFAOYSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246813659 1104689031 /nfs/dbraw/zinc/68/90/31/1104689031.db2.gz LDOBDXLIJWKSNO-QGZVFWFLSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246814118 1104689071 /nfs/dbraw/zinc/68/90/71/1104689071.db2.gz NMVUVQXKOOFDQF-QGZVFWFLSA-N 2 1 302.462 3.092 20 0 DGADMP Brc1ccc([C@H]2CC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821223 1104691612 /nfs/dbraw/zinc/69/16/12/1104691612.db2.gz IYDZESRIOPBPCY-HOCLYGCPSA-N 2 1 323.278 3.381 20 0 DGADMP Brc1ccc([C@H]2CC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246821223 1104691613 /nfs/dbraw/zinc/69/16/13/1104691613.db2.gz IYDZESRIOPBPCY-HOCLYGCPSA-N 2 1 323.278 3.381 20 0 DGADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246822987 1104692756 /nfs/dbraw/zinc/69/27/56/1104692756.db2.gz CIIQRJWQWHTNAA-SCTDSRPQSA-N 2 1 315.505 3.112 20 0 DGADMP C[N@@H+](CCc1cccc(Cl)c1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246824788 1104693466 /nfs/dbraw/zinc/69/34/66/1104693466.db2.gz SCUOUBRVUVRBPG-UHFFFAOYSA-N 2 1 322.880 3.116 20 0 DGADMP FC(F)(F)c1ccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246829537 1104694968 /nfs/dbraw/zinc/69/49/68/1104694968.db2.gz LFVQJWOGNYKCPO-AIANPOQGSA-N 2 1 324.390 3.493 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1C ZINC001246835950 1104697943 /nfs/dbraw/zinc/69/79/43/1104697943.db2.gz LXOKXCKBOUKYKM-BWTSREIZSA-N 2 1 313.489 3.099 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839270 1104698859 /nfs/dbraw/zinc/69/88/59/1104698859.db2.gz CPYUKZLKZNOCLT-JFILPPLUSA-N 2 1 310.894 3.490 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246840126 1104700517 /nfs/dbraw/zinc/70/05/17/1104700517.db2.gz FFHGINPYMLZLKM-ZCNNSNEGSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841976 1104700555 /nfs/dbraw/zinc/70/05/55/1104700555.db2.gz SEWXNFZKSRGYQK-MAUKXSAKSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(OC)c1 ZINC001246841976 1104700559 /nfs/dbraw/zinc/70/05/59/1104700559.db2.gz SEWXNFZKSRGYQK-MAUKXSAKSA-N 2 1 320.477 3.302 20 0 DGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246841558 1104700701 /nfs/dbraw/zinc/70/07/01/1104700701.db2.gz UUBUOKKUKWLJLY-PKOBYXMFSA-N 2 1 302.462 3.439 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246844394 1104704868 /nfs/dbraw/zinc/70/48/68/1104704868.db2.gz YOGBVFUUCTTYBQ-UKBAYJJMSA-N 2 1 302.462 3.197 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001246845236 1104704928 /nfs/dbraw/zinc/70/49/28/1104704928.db2.gz KVBJJJLKYLLEKC-DENAFPEJSA-N 2 1 310.485 3.355 20 0 DGADMP Cc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275280929 1104705072 /nfs/dbraw/zinc/70/50/72/1104705072.db2.gz JABGZZJXCLRHCC-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275280929 1104705080 /nfs/dbraw/zinc/70/50/80/1104705080.db2.gz JABGZZJXCLRHCC-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275280929 1104705084 /nfs/dbraw/zinc/70/50/84/1104705084.db2.gz JABGZZJXCLRHCC-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP C1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@@H]1C1CCCCC1 ZINC001246844980 1104705337 /nfs/dbraw/zinc/70/53/37/1104705337.db2.gz DPGISPQRRBHBON-LMDPOFIKSA-N 2 1 306.494 3.190 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001246845250 1104705487 /nfs/dbraw/zinc/70/54/87/1104705487.db2.gz KVBJJJLKYLLEKC-JJYICEPISA-N 2 1 310.485 3.355 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@H]2CC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246845804 1104705954 /nfs/dbraw/zinc/70/59/54/1104705954.db2.gz LZQPUJRNVYXCNB-HNJRGHQBSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001246845804 1104705957 /nfs/dbraw/zinc/70/59/57/1104705957.db2.gz LZQPUJRNVYXCNB-HNJRGHQBSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001246845804 1104705963 /nfs/dbraw/zinc/70/59/63/1104705963.db2.gz LZQPUJRNVYXCNB-HNJRGHQBSA-N 2 1 315.505 3.241 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c(C)c1 ZINC001246851517 1104707029 /nfs/dbraw/zinc/70/70/29/1104707029.db2.gz KPJOZMWIRPOHOJ-RBUKOAKNSA-N 2 1 315.505 3.202 20 0 DGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246856170 1104708212 /nfs/dbraw/zinc/70/82/12/1104708212.db2.gz SEPHQPCKKWTTTK-SFNKJDCFSA-N 2 1 324.509 3.066 20 0 DGADMP Cc1ccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)c(C)c1 ZINC001246853633 1104708541 /nfs/dbraw/zinc/70/85/41/1104708541.db2.gz RWLGXLNUFRLQFM-GOSISDBHSA-N 2 1 313.489 3.100 20 0 DGADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246855661 1104709137 /nfs/dbraw/zinc/70/91/37/1104709137.db2.gz AQXXGHDVNUQXHR-IAGOWNOFSA-N 2 1 322.493 3.107 20 0 DGADMP CCOC(=O)[C@]1(C)CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246866186 1104712990 /nfs/dbraw/zinc/71/29/90/1104712990.db2.gz AVIFJACHHJXITE-FUHWJXTLSA-N 2 1 322.493 3.107 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001246865712 1104713410 /nfs/dbraw/zinc/71/34/10/1104713410.db2.gz WRCTYIFDGSFZHP-GXTWGEPZSA-N 2 1 300.368 3.178 20 0 DGADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246871218 1104713851 /nfs/dbraw/zinc/71/38/51/1104713851.db2.gz DIWCDUGFCIZBKP-WDYCEAGBSA-N 2 1 318.530 3.380 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246871215 1104715177 /nfs/dbraw/zinc/71/51/77/1104715177.db2.gz DICDBLJFNDMHJN-BSIFCXSSSA-N 2 1 324.443 3.230 20 0 DGADMP CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246879692 1104718311 /nfs/dbraw/zinc/71/83/11/1104718311.db2.gz CEGPTMAHZRLGRU-YESZJQIVSA-N 2 1 317.477 3.175 20 0 DGADMP CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246879692 1104718318 /nfs/dbraw/zinc/71/83/18/1104718318.db2.gz CEGPTMAHZRLGRU-YESZJQIVSA-N 2 1 317.477 3.175 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001246882220 1104720014 /nfs/dbraw/zinc/72/00/14/1104720014.db2.gz LOHZABWYMDXPAQ-VIQWUECVSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc(C)c1O ZINC001275318837 1104721040 /nfs/dbraw/zinc/72/10/40/1104721040.db2.gz MZDXQUCLILYITL-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc(C)c1O ZINC001275318837 1104721045 /nfs/dbraw/zinc/72/10/45/1104721045.db2.gz MZDXQUCLILYITL-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc(C)c1O ZINC001275318837 1104721049 /nfs/dbraw/zinc/72/10/49/1104721049.db2.gz MZDXQUCLILYITL-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc(C)c1O ZINC001275318837 1104721054 /nfs/dbraw/zinc/72/10/54/1104721054.db2.gz MZDXQUCLILYITL-LJQANCHMSA-N 2 1 302.462 3.317 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246885380 1104723396 /nfs/dbraw/zinc/72/33/96/1104723396.db2.gz FFGGZNUNBRPFII-JQHSSLGASA-N 2 1 304.478 3.335 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246885405 1104723575 /nfs/dbraw/zinc/72/35/75/1104723575.db2.gz FOQPCAXOFFRFCJ-MSOLQXFVSA-N 2 1 318.505 3.426 20 0 DGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246899671 1104727045 /nfs/dbraw/zinc/72/70/45/1104727045.db2.gz FQEYPCMUMKGGGL-GUYCJALGSA-N 2 1 313.470 3.152 20 0 DGADMP CCC[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC001246903721 1104728202 /nfs/dbraw/zinc/72/82/02/1104728202.db2.gz QEHSYOZNKRCJPK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246905679 1104730691 /nfs/dbraw/zinc/73/06/91/1104730691.db2.gz FDJDWGLUSKVIMW-YWTNHNAXSA-N 2 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905679 1104730698 /nfs/dbraw/zinc/73/06/98/1104730698.db2.gz FDJDWGLUSKVIMW-YWTNHNAXSA-N 3 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905679 1104730703 /nfs/dbraw/zinc/73/07/03/1104730703.db2.gz FDJDWGLUSKVIMW-YWTNHNAXSA-N 3 1 319.468 3.129 20 0 DGADMP FC(F)(F)Oc1ccc2c(c1)C[N@H+]([C@H]1CCC[NH2+]CC1)CC2 ZINC001246909871 1104732903 /nfs/dbraw/zinc/73/29/03/1104732903.db2.gz RCDDGUNXACQZQV-AWEZNQCLSA-N 2 1 314.351 3.085 20 0 DGADMP FC(F)(F)Oc1ccc2c(c1)C[N@@H+]([C@H]1CCC[NH2+]CC1)CC2 ZINC001246909871 1104732909 /nfs/dbraw/zinc/73/29/09/1104732909.db2.gz RCDDGUNXACQZQV-AWEZNQCLSA-N 2 1 314.351 3.085 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246912624 1104733504 /nfs/dbraw/zinc/73/35/04/1104733504.db2.gz UKPOZBHGEKUAEU-PCODVIEZSA-N 3 1 315.505 3.289 20 0 DGADMP CC(C)OCC[C@@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246912800 1104733651 /nfs/dbraw/zinc/73/36/51/1104733651.db2.gz GKLVHKXXILCQAF-QGZVFWFLSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246911774 1104734513 /nfs/dbraw/zinc/73/45/13/1104734513.db2.gz DNJWLCJSDTYHTH-BIVLZKPYSA-N 2 1 322.493 3.102 20 0 DGADMP CCOC(=O)C[N@H+](CCC[NH3+])[C@H]1CCCC2(CCCCC2)C1 ZINC001246917704 1104737148 /nfs/dbraw/zinc/73/71/48/1104737148.db2.gz AIKIAUDXROJARM-INIZCTEOSA-N 2 1 310.482 3.093 20 0 DGADMP CCOC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCCC2(CCCCC2)C1 ZINC001246917704 1104737151 /nfs/dbraw/zinc/73/71/51/1104737151.db2.gz AIKIAUDXROJARM-INIZCTEOSA-N 2 1 310.482 3.093 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246918275 1104737572 /nfs/dbraw/zinc/73/75/72/1104737572.db2.gz DFRUABHPHFUHND-RBUKOAKNSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@@H]1C[C@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC)CC[NH2+]1 ZINC001246917692 1104737600 /nfs/dbraw/zinc/73/76/00/1104737600.db2.gz SDSZACJAQZZHQP-HSALFYBXSA-N 2 1 315.505 3.113 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+](C3C[C@H](C)[NH2+][C@@H](C)C3)C2)c1 ZINC001246926735 1104739861 /nfs/dbraw/zinc/73/98/61/1104739861.db2.gz DXNPHHHQGXJSCJ-YQQAZPJKSA-N 2 1 302.462 3.404 20 0 DGADMP C[C@H]1CC[C@@H]([N@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927352 1104740492 /nfs/dbraw/zinc/74/04/92/1104740492.db2.gz ZEPQHZSYDQNCKW-PKOBYXMFSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H]1CC[C@@H]([N@@H+](CCCCCCO)Cc2ccccc2)C[NH2+]1 ZINC001246927352 1104740500 /nfs/dbraw/zinc/74/05/00/1104740500.db2.gz ZEPQHZSYDQNCKW-PKOBYXMFSA-N 2 1 304.478 3.182 20 0 DGADMP COCC[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246925950 1104740678 /nfs/dbraw/zinc/74/06/78/1104740678.db2.gz BBNWCPBGZFZEQD-GUDVDZBRSA-N 2 1 302.462 3.023 20 0 DGADMP COCC[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246925950 1104740682 /nfs/dbraw/zinc/74/06/82/1104740682.db2.gz BBNWCPBGZFZEQD-GUDVDZBRSA-N 2 1 302.462 3.023 20 0 DGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001246932742 1104741296 /nfs/dbraw/zinc/74/12/96/1104741296.db2.gz HGUCCFMZEJGYBO-MAZHCROVSA-N 2 1 314.395 3.392 20 0 DGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001246932742 1104741300 /nfs/dbraw/zinc/74/13/00/1104741300.db2.gz HGUCCFMZEJGYBO-MAZHCROVSA-N 2 1 314.395 3.392 20 0 DGADMP COCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246930229 1104741594 /nfs/dbraw/zinc/74/15/94/1104741594.db2.gz SVBKOZCSSVUPNT-VAMGGRTRSA-N 2 1 316.489 3.413 20 0 DGADMP COCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246930229 1104741599 /nfs/dbraw/zinc/74/15/99/1104741599.db2.gz SVBKOZCSSVUPNT-VAMGGRTRSA-N 2 1 316.489 3.413 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001246931939 1104741789 /nfs/dbraw/zinc/74/17/89/1104741789.db2.gz NZXZAEDXVCMZAU-YESZJQIVSA-N 2 1 304.503 3.407 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001246941805 1104745601 /nfs/dbraw/zinc/74/56/01/1104745601.db2.gz IDHPXXBFWDGOLI-DZFIZOCASA-N 2 1 302.437 3.426 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+]2CC=C(c3ccc(OC)cc3)CC2)CC[NH2+]1 ZINC001246946107 1104746630 /nfs/dbraw/zinc/74/66/30/1104746630.db2.gz FPNLQNZPFQSUBA-ZWKOTPCHSA-N 2 1 300.446 3.315 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246946670 1104746752 /nfs/dbraw/zinc/74/67/52/1104746752.db2.gz OATUXCBKKHAWMD-UHFFFAOYSA-N 3 1 321.553 3.399 20 0 DGADMP CC(C)(C)C[N@H+](C1CCNCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246946670 1104746755 /nfs/dbraw/zinc/74/67/55/1104746755.db2.gz OATUXCBKKHAWMD-UHFFFAOYSA-N 2 1 321.553 3.399 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCNCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246946670 1104746757 /nfs/dbraw/zinc/74/67/57/1104746757.db2.gz OATUXCBKKHAWMD-UHFFFAOYSA-N 2 1 321.553 3.399 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246944118 1104747266 /nfs/dbraw/zinc/74/72/66/1104747266.db2.gz UCLQLXZNPKXDMS-ZIAGYGMSSA-N 2 1 322.880 3.137 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)C2)c1 ZINC001246949021 1104748577 /nfs/dbraw/zinc/74/85/77/1104748577.db2.gz RRZUJGLXXLUPOC-ZIFCJYIRSA-N 2 1 302.462 3.261 20 0 DGADMP CC(C)CN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246952957 1104750852 /nfs/dbraw/zinc/75/08/52/1104750852.db2.gz NDBMQNIZRYGJDK-RTBURBONSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1Cc2cccc(F)c2C1)C1CC[NH2+]CC1 ZINC001246952563 1104751521 /nfs/dbraw/zinc/75/15/21/1104751521.db2.gz ZRWOCXMDSIBQMA-INIZCTEOSA-N 2 1 304.453 3.393 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246962223 1104752151 /nfs/dbraw/zinc/75/21/51/1104752151.db2.gz AXTQZABUPGSQRR-MKXGPGLRSA-N 3 1 307.526 3.135 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)C[C@H](CC)[NH2+]1 ZINC001246967221 1104754982 /nfs/dbraw/zinc/75/49/82/1104754982.db2.gz MMKFQAPAOKZXGV-FAJBIJEISA-N 2 1 317.477 3.234 20 0 DGADMP c1ccc(C[N@@H+](C2CCC2)C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001246968893 1104755043 /nfs/dbraw/zinc/75/50/43/1104755043.db2.gz YNFWZZWDTPPVBY-UHFFFAOYSA-N 2 1 314.473 3.342 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246969872 1104755187 /nfs/dbraw/zinc/75/51/87/1104755187.db2.gz XSGZLIGYQGPZAG-IUODEOHRSA-N 2 1 300.368 3.307 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246972074 1104756547 /nfs/dbraw/zinc/75/65/47/1104756547.db2.gz CKVYNFIPXUKENX-DLBZAZTESA-N 2 1 318.461 3.058 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246975229 1104758327 /nfs/dbraw/zinc/75/83/27/1104758327.db2.gz NRUYASFWMHHBPZ-XTBFLFJDSA-N 2 1 312.379 3.306 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246975787 1104758553 /nfs/dbraw/zinc/75/85/53/1104758553.db2.gz OXLRMYBGMVNOJF-GUYJKWIASA-N 2 1 310.894 3.490 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246974739 1104758692 /nfs/dbraw/zinc/75/86/92/1104758692.db2.gz RPLVJOZGCYNMRA-ZACQAIPSSA-N 2 1 317.477 3.010 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246978057 1104759738 /nfs/dbraw/zinc/75/97/38/1104759738.db2.gz RZGGDOWYVVDADK-KRWDZBQOSA-N 2 1 320.427 3.429 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246980573 1104761388 /nfs/dbraw/zinc/76/13/88/1104761388.db2.gz SDCKBUNAXVFXKG-JKSUJKDBSA-N 2 1 304.434 3.014 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246979957 1104761491 /nfs/dbraw/zinc/76/14/91/1104761491.db2.gz PKUWLGWQLSSWBV-PKOBYXMFSA-N 2 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246979957 1104761495 /nfs/dbraw/zinc/76/14/95/1104761495.db2.gz PKUWLGWQLSSWBV-PKOBYXMFSA-N 2 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](C2CCC2)[C@@H]2CCCNC2)CC1 ZINC001246986981 1104764290 /nfs/dbraw/zinc/76/42/90/1104764290.db2.gz MAECXSWGWQCJRC-NKELODKYSA-N 2 1 307.526 3.246 20 0 DGADMP CC[NH+](CC)C1CCC(N(C2CCC2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246986981 1104764299 /nfs/dbraw/zinc/76/42/99/1104764299.db2.gz MAECXSWGWQCJRC-NKELODKYSA-N 2 1 307.526 3.246 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246993074 1104766089 /nfs/dbraw/zinc/76/60/89/1104766089.db2.gz KFNRGWPPRFDJAN-DACLVMHWSA-N 2 1 316.445 3.139 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996973 1104769223 /nfs/dbraw/zinc/76/92/23/1104769223.db2.gz JEOBCQGQFWBFGQ-VCBZYWHSSA-N 2 1 302.437 3.246 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC1 ZINC001246998282 1104770299 /nfs/dbraw/zinc/77/02/99/1104770299.db2.gz CFSIATKWDILASK-WINAAZSOSA-N 2 1 319.880 3.454 20 0 DGADMP CC(C)[NH+]1CCC([NH+]2CCC3(Cc4ccccc4N3)CC2)CC1 ZINC001246999819 1104770694 /nfs/dbraw/zinc/77/06/94/1104770694.db2.gz CMSUOYZWVREBOO-UHFFFAOYSA-N 2 1 313.489 3.362 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246998899 1104770716 /nfs/dbraw/zinc/77/07/16/1104770716.db2.gz PISSARCUMZSZKH-ZOWXZIJZSA-N 2 1 311.267 3.192 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246998899 1104770719 /nfs/dbraw/zinc/77/07/19/1104770719.db2.gz PISSARCUMZSZKH-ZOWXZIJZSA-N 2 1 311.267 3.192 20 0 DGADMP C[N@@H+](C[C@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001247003406 1104772665 /nfs/dbraw/zinc/77/26/65/1104772665.db2.gz VRYJHJQSEMQCNH-ZWKOTPCHSA-N 2 1 314.473 3.377 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247002023 1104773063 /nfs/dbraw/zinc/77/30/63/1104773063.db2.gz KJVIPRUVMWRGBE-ZWKOTPCHSA-N 2 1 314.473 3.081 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247013662 1104778091 /nfs/dbraw/zinc/77/80/91/1104778091.db2.gz HPTKEODLZVXSII-JKIFEVAISA-N 2 1 308.466 3.380 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3OC(F)F)C[C@H]2CC1 ZINC001275679424 1104861373 /nfs/dbraw/zinc/86/13/73/1104861373.db2.gz FYURZZSZBDUWDA-OKILXGFUSA-N 2 1 310.388 3.062 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@H]2CC1 ZINC001275679424 1104861383 /nfs/dbraw/zinc/86/13/83/1104861383.db2.gz FYURZZSZBDUWDA-OKILXGFUSA-N 2 1 310.388 3.062 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@H]2CC1 ZINC001275679424 1104861393 /nfs/dbraw/zinc/86/13/93/1104861393.db2.gz FYURZZSZBDUWDA-OKILXGFUSA-N 2 1 310.388 3.062 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc4[nH]ccc4c3Cl)(C1)CCC2 ZINC001275684561 1104863493 /nfs/dbraw/zinc/86/34/93/1104863493.db2.gz GSSYIQYJRHMHLD-DLBZAZTESA-N 2 1 318.852 3.322 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)onc1-c1ccccc1 ZINC001275728439 1104883915 /nfs/dbraw/zinc/88/39/15/1104883915.db2.gz ROLFIDMZEXEXSU-ALOPSCKCSA-N 2 1 311.429 3.365 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)onc1-c1ccccc1 ZINC001275728439 1104883921 /nfs/dbraw/zinc/88/39/21/1104883921.db2.gz ROLFIDMZEXEXSU-ALOPSCKCSA-N 2 1 311.429 3.365 20 0 DGADMP COc1ccc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001275810696 1104917109 /nfs/dbraw/zinc/91/71/09/1104917109.db2.gz IFCJNVFEDDCDDU-IBGZPJMESA-N 2 1 318.461 3.012 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC001275872976 1104940022 /nfs/dbraw/zinc/94/00/22/1104940022.db2.gz MFEBYQVUQFZSGJ-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP CCOc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1O ZINC001275899163 1104947979 /nfs/dbraw/zinc/94/79/79/1104947979.db2.gz RFMGJDPBZJCRDP-UHFFFAOYSA-N 2 1 318.461 3.099 20 0 DGADMP CC(C)(C)c1ccc(-c2noc([C@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247699594 1104959194 /nfs/dbraw/zinc/95/91/94/1104959194.db2.gz TVODGGLAZYKHKG-CQSZACIVSA-N 2 1 302.422 3.163 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001275960569 1104968112 /nfs/dbraw/zinc/96/81/12/1104968112.db2.gz ZLUODQMGAUGDDG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001275960569 1104968117 /nfs/dbraw/zinc/96/81/17/1104968117.db2.gz ZLUODQMGAUGDDG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001275960569 1104968124 /nfs/dbraw/zinc/96/81/24/1104968124.db2.gz ZLUODQMGAUGDDG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001275960569 1104968129 /nfs/dbraw/zinc/96/81/29/1104968129.db2.gz ZLUODQMGAUGDDG-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1C ZINC001275963162 1104970061 /nfs/dbraw/zinc/97/00/61/1104970061.db2.gz PVWLFJATDSRMPJ-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1C ZINC001275963162 1104970066 /nfs/dbraw/zinc/97/00/66/1104970066.db2.gz PVWLFJATDSRMPJ-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)ccc1C ZINC001275963162 1104970071 /nfs/dbraw/zinc/97/00/71/1104970071.db2.gz PVWLFJATDSRMPJ-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)ccc1C ZINC001275963162 1104970073 /nfs/dbraw/zinc/97/00/73/1104970073.db2.gz PVWLFJATDSRMPJ-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276032194 1104992214 /nfs/dbraw/zinc/99/22/14/1104992214.db2.gz MOMKTTYKSDLKGX-IRXDYDNUSA-N 2 1 301.478 3.349 20 0 DGADMP c1[nH]c2cccnc2c1C[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276041714 1105004329 /nfs/dbraw/zinc/00/43/29/1105004329.db2.gz ONEBVMNUDBDPEN-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP COc1cc(F)ccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276082944 1105010962 /nfs/dbraw/zinc/01/09/62/1105010962.db2.gz HCBIPOCEEXTBSZ-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP COc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276110899 1105020544 /nfs/dbraw/zinc/02/05/44/1105020544.db2.gz QMVLOHGIBPTYNT-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cccc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276110899 1105020551 /nfs/dbraw/zinc/02/05/51/1105020551.db2.gz QMVLOHGIBPTYNT-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1cccc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276110899 1105020559 /nfs/dbraw/zinc/02/05/59/1105020559.db2.gz QMVLOHGIBPTYNT-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(N3CCCC3)c1)C2 ZINC001276157334 1105033258 /nfs/dbraw/zinc/03/32/58/1105033258.db2.gz HXAZXNZLMZQKMJ-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(N3CCCC3)c1)C2 ZINC001276157334 1105033262 /nfs/dbraw/zinc/03/32/62/1105033262.db2.gz HXAZXNZLMZQKMJ-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(N3CCCC3)c1)C2 ZINC001276157334 1105033267 /nfs/dbraw/zinc/03/32/67/1105033267.db2.gz HXAZXNZLMZQKMJ-FQEVSTJZSA-N 2 1 313.489 3.205 20 0 DGADMP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001276183047 1105040796 /nfs/dbraw/zinc/04/07/96/1105040796.db2.gz INGPQQVFRDAFMW-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001276183047 1105040801 /nfs/dbraw/zinc/04/08/01/1105040801.db2.gz INGPQQVFRDAFMW-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP c1csc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001276183047 1105040806 /nfs/dbraw/zinc/04/08/06/1105040806.db2.gz INGPQQVFRDAFMW-GASCZTMLSA-N 2 1 305.491 3.230 20 0 DGADMP CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000719951435 1105045215 /nfs/dbraw/zinc/04/52/15/1105045215.db2.gz AGMWPIZLMURXEW-SLFFLAALSA-N 2 1 315.505 3.100 20 0 DGADMP Cc1ccncc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276198034 1105045611 /nfs/dbraw/zinc/04/56/11/1105045611.db2.gz TXATWSQCVYXIMT-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c(C)c1 ZINC001248193782 1105066154 /nfs/dbraw/zinc/06/61/54/1105066154.db2.gz DCLVJXUFULSNFI-HNNXBMFYSA-N 2 1 302.422 3.085 20 0 DGADMP CCCC[C@H](C[NH2+]CC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001276261978 1105067281 /nfs/dbraw/zinc/06/72/81/1105067281.db2.gz RGYRXNSQQDDQKM-AEFFLSMTSA-N 2 1 323.525 3.068 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276294802 1105081314 /nfs/dbraw/zinc/08/13/14/1105081314.db2.gz VWWJSDUAWUMEMX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276294802 1105081317 /nfs/dbraw/zinc/08/13/17/1105081317.db2.gz VWWJSDUAWUMEMX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276294802 1105081324 /nfs/dbraw/zinc/08/13/24/1105081324.db2.gz VWWJSDUAWUMEMX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276294802 1105081332 /nfs/dbraw/zinc/08/13/32/1105081332.db2.gz VWWJSDUAWUMEMX-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP C[NH+](C)CCCOc1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001248407875 1105110521 /nfs/dbraw/zinc/11/05/21/1105110521.db2.gz IUWBDWTWBVHFJJ-UHFFFAOYSA-N 2 1 310.401 3.408 20 0 DGADMP Cc1ccc2[nH]c(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)nc2c1 ZINC001248842119 1105177208 /nfs/dbraw/zinc/17/72/08/1105177208.db2.gz HCDCDHFNVJHFHC-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP Cc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC001248842119 1105177213 /nfs/dbraw/zinc/17/72/13/1105177213.db2.gz HCDCDHFNVJHFHC-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP Cc1ccc2nc(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC001248842119 1105177217 /nfs/dbraw/zinc/17/72/17/1105177217.db2.gz HCDCDHFNVJHFHC-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP Cc1ccc(Cl)c(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248897453 1105189051 /nfs/dbraw/zinc/18/90/51/1105189051.db2.gz YYQDELSANBXWJB-CQSZACIVSA-N 2 1 320.824 3.088 20 0 DGADMP CC[C@@H](C)c1nn(C)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001249406050 1105280619 /nfs/dbraw/zinc/28/06/19/1105280619.db2.gz GANRRIMPEJXNEP-MRXNPFEDSA-N 2 1 320.525 3.486 20 0 DGADMP C[C@@H](C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005714 1105307893 /nfs/dbraw/zinc/30/78/93/1105307893.db2.gz KVBYCBUTDWELAS-CWRNSKLLSA-N 2 1 312.379 3.249 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005714 1105307898 /nfs/dbraw/zinc/30/78/98/1105307898.db2.gz KVBYCBUTDWELAS-CWRNSKLLSA-N 2 1 312.379 3.249 20 0 DGADMP C[C@@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005714 1105307903 /nfs/dbraw/zinc/30/79/03/1105307903.db2.gz KVBYCBUTDWELAS-CWRNSKLLSA-N 2 1 312.379 3.249 20 0 DGADMP C[C@@H](C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000471005714 1105307909 /nfs/dbraw/zinc/30/79/09/1105307909.db2.gz KVBYCBUTDWELAS-CWRNSKLLSA-N 2 1 312.379 3.249 20 0 DGADMP c1cc2cc(NC3=CC[C@H]([NH+]4CCOCC4)CC3)ccc2c[nH+]1 ZINC001249554373 1105311313 /nfs/dbraw/zinc/31/13/13/1105311313.db2.gz AZCQHJVYAGBUIG-IBGZPJMESA-N 2 1 309.413 3.415 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1C ZINC001249906363 1105404820 /nfs/dbraw/zinc/40/48/20/1105404820.db2.gz DOGYMSYSJAOSRQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1C ZINC001249906363 1105404825 /nfs/dbraw/zinc/40/48/25/1105404825.db2.gz DOGYMSYSJAOSRQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)nc1C ZINC001249906363 1105404826 /nfs/dbraw/zinc/40/48/26/1105404826.db2.gz DOGYMSYSJAOSRQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)nc1C ZINC001249906363 1105404831 /nfs/dbraw/zinc/40/48/31/1105404831.db2.gz DOGYMSYSJAOSRQ-ZWKOTPCHSA-N 2 1 317.477 3.237 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2ncccc12 ZINC001137404152 1105515611 /nfs/dbraw/zinc/51/56/11/1105515611.db2.gz CKZKMWRVIYSGBX-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC001137404152 1105515617 /nfs/dbraw/zinc/51/56/17/1105515617.db2.gz CKZKMWRVIYSGBX-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC001137404152 1105515623 /nfs/dbraw/zinc/51/56/23/1105515623.db2.gz CKZKMWRVIYSGBX-IRXDYDNUSA-N 2 1 312.461 3.402 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001491352200 1105810747 /nfs/dbraw/zinc/81/07/47/1105810747.db2.gz PULQZVSCQQHMCH-DAWZGUTISA-N 2 1 323.525 3.068 20 0 DGADMP O[C@]1(C[N@@H+]2CCC23CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001252924333 1105855479 /nfs/dbraw/zinc/85/54/79/1105855479.db2.gz XERGOZFRMOYZOX-HXUWFJFHSA-N 2 1 314.473 3.032 20 0 DGADMP O[C@]1(C[N@H+]2CCC23CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001252924333 1105855485 /nfs/dbraw/zinc/85/54/85/1105855485.db2.gz XERGOZFRMOYZOX-HXUWFJFHSA-N 2 1 314.473 3.032 20 0 DGADMP O[C@]1(C[NH+]2CCC23CCCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001252924333 1105855492 /nfs/dbraw/zinc/85/54/92/1105855492.db2.gz XERGOZFRMOYZOX-HXUWFJFHSA-N 2 1 314.473 3.032 20 0 DGADMP O[C@]1(C[NH+]2CCC23CCCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001252924333 1105855498 /nfs/dbraw/zinc/85/54/98/1105855498.db2.gz XERGOZFRMOYZOX-HXUWFJFHSA-N 2 1 314.473 3.032 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@](C)(O)c1ccccc1 ZINC001253103287 1105888619 /nfs/dbraw/zinc/88/86/19/1105888619.db2.gz COZIUXRMLOKNQT-SLFFLAALSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC001253103287 1105888625 /nfs/dbraw/zinc/88/86/25/1105888625.db2.gz COZIUXRMLOKNQT-SLFFLAALSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@](C)(O)c1ccccc1 ZINC001253103287 1105888631 /nfs/dbraw/zinc/88/86/31/1105888631.db2.gz COZIUXRMLOKNQT-SLFFLAALSA-N 2 1 316.489 3.233 20 0 DGADMP C[N@@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001254029627 1106011124 /nfs/dbraw/zinc/01/11/24/1106011124.db2.gz JRBPQRVLRZWSIF-UHFFFAOYSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039019 1106013167 /nfs/dbraw/zinc/01/31/67/1106013167.db2.gz WFINWUWBDAYPOA-ZWKOTPCHSA-N 2 1 316.489 3.134 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCOC2)cc1 ZINC001254373037 1106062306 /nfs/dbraw/zinc/06/23/06/1106062306.db2.gz UCVHLNRGINHUOI-GUDVDZBRSA-N 2 1 302.462 3.246 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254446816 1106072238 /nfs/dbraw/zinc/07/22/38/1106072238.db2.gz FHPOVLMIRWEZPX-SFHVURJKSA-N 2 1 306.494 3.284 20 0 DGADMP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1C1CCc2ccccc2CC1 ZINC001254456271 1106075191 /nfs/dbraw/zinc/07/51/91/1106075191.db2.gz WBIQZRDDFUSXLT-NRFANRHFSA-N 2 1 306.453 3.320 20 0 DGADMP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1C1CCc2ccccc2CC1 ZINC001254456271 1106075194 /nfs/dbraw/zinc/07/51/94/1106075194.db2.gz WBIQZRDDFUSXLT-NRFANRHFSA-N 2 1 306.453 3.320 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001254497035 1106081990 /nfs/dbraw/zinc/08/19/90/1106081990.db2.gz FIICZJHXTYKDRF-HNNXBMFYSA-N 2 1 300.368 3.322 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1 ZINC001254506819 1106084693 /nfs/dbraw/zinc/08/46/93/1106084693.db2.gz AVQOCVQZHHECTA-CQSZACIVSA-N 2 1 318.358 3.461 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001254503654 1106084772 /nfs/dbraw/zinc/08/47/72/1106084772.db2.gz OLKJHNZUMGJTSY-GFCCVEGCSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001254503654 1106084776 /nfs/dbraw/zinc/08/47/76/1106084776.db2.gz OLKJHNZUMGJTSY-GFCCVEGCSA-N 2 1 320.330 3.298 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001254509271 1106086978 /nfs/dbraw/zinc/08/69/78/1106086978.db2.gz XWBMKYBIOWDTMT-MOPGFXCFSA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001254507487 1106087177 /nfs/dbraw/zinc/08/71/77/1106087177.db2.gz LURNWLMSQZLLDK-APWZRJJASA-N 2 1 320.452 3.367 20 0 DGADMP COCCC1([NH2+][C@H]2CCC[N@@H+](C)CC2)CCC(F)(F)CC1 ZINC001254511712 1106087235 /nfs/dbraw/zinc/08/72/35/1106087235.db2.gz DDJMKMQOUOVYSB-AWEZNQCLSA-N 2 1 304.425 3.045 20 0 DGADMP CN1CCC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510356 1106087326 /nfs/dbraw/zinc/08/73/26/1106087326.db2.gz NLNNCARJNSNENX-WDSOQIARSA-N 2 1 307.526 3.375 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510356 1106087330 /nfs/dbraw/zinc/08/73/30/1106087330.db2.gz NLNNCARJNSNENX-WDSOQIARSA-N 3 1 307.526 3.375 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510356 1106087333 /nfs/dbraw/zinc/08/73/33/1106087333.db2.gz NLNNCARJNSNENX-WDSOQIARSA-N 3 1 307.526 3.375 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510356 1106087338 /nfs/dbraw/zinc/08/73/38/1106087338.db2.gz NLNNCARJNSNENX-WDSOQIARSA-N 3 1 307.526 3.375 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510356 1106087342 /nfs/dbraw/zinc/08/73/42/1106087342.db2.gz NLNNCARJNSNENX-WDSOQIARSA-N 3 1 307.526 3.375 20 0 DGADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254508665 1106087669 /nfs/dbraw/zinc/08/76/69/1106087669.db2.gz KWZAUUFFGBODSW-GOSISDBHSA-N 2 1 307.526 3.105 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254508665 1106087677 /nfs/dbraw/zinc/08/76/77/1106087677.db2.gz KWZAUUFFGBODSW-GOSISDBHSA-N 3 1 307.526 3.105 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001254508665 1106087681 /nfs/dbraw/zinc/08/76/81/1106087681.db2.gz KWZAUUFFGBODSW-GOSISDBHSA-N 3 1 307.526 3.105 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001254512389 1106088028 /nfs/dbraw/zinc/08/80/28/1106088028.db2.gz MSVNNNSJOJLOPO-KRWDZBQOSA-N 2 1 322.880 3.420 20 0 DGADMP C[N@H+]1CCC[C@H](n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001254514892 1106088537 /nfs/dbraw/zinc/08/85/37/1106088537.db2.gz QDYIKNZUTOEECI-AWEZNQCLSA-N 2 1 305.853 3.453 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCCCC2)CC1 ZINC001254513674 1106088592 /nfs/dbraw/zinc/08/85/92/1106088592.db2.gz FUCQYGUNFMVRMV-MRXNPFEDSA-N 2 1 324.509 3.353 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001254515955 1106088800 /nfs/dbraw/zinc/08/88/00/1106088800.db2.gz HJWVCHIWFZSXJQ-SFHVURJKSA-N 2 1 300.446 3.066 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001254515955 1106088804 /nfs/dbraw/zinc/08/88/04/1106088804.db2.gz HJWVCHIWFZSXJQ-SFHVURJKSA-N 2 1 300.446 3.066 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC001254522055 1106089778 /nfs/dbraw/zinc/08/97/78/1106089778.db2.gz BFBKGNDNFIWVBI-SFHVURJKSA-N 2 1 320.452 3.291 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001254521919 1106089915 /nfs/dbraw/zinc/08/99/15/1106089915.db2.gz ACMWEEFXEHRDQC-NVXWUHKLSA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001254521919 1106089922 /nfs/dbraw/zinc/08/99/22/1106089922.db2.gz ACMWEEFXEHRDQC-NVXWUHKLSA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001254521919 1106089929 /nfs/dbraw/zinc/08/99/29/1106089929.db2.gz ACMWEEFXEHRDQC-NVXWUHKLSA-N 2 1 305.491 3.122 20 0 DGADMP C[C@@H]1CN([C@H]2CCC[NH+](C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001254516378 1106090038 /nfs/dbraw/zinc/09/00/38/1106090038.db2.gz MBLVLBAOWHZGLH-HBFSDRIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@H]2CCC[N@H+](C)CC2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001254516378 1106090043 /nfs/dbraw/zinc/09/00/43/1106090043.db2.gz MBLVLBAOWHZGLH-HBFSDRIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN([C@H]2CCC[N@@H+](C)CC2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001254516378 1106090049 /nfs/dbraw/zinc/09/00/49/1106090049.db2.gz MBLVLBAOWHZGLH-HBFSDRIKSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516171 1106091528 /nfs/dbraw/zinc/09/15/28/1106091528.db2.gz JTDULFCPCPJRDP-QGZVFWFLSA-N 2 1 321.896 3.255 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516171 1106091535 /nfs/dbraw/zinc/09/15/35/1106091535.db2.gz JTDULFCPCPJRDP-QGZVFWFLSA-N 2 1 321.896 3.255 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001254529579 1106094837 /nfs/dbraw/zinc/09/48/37/1106094837.db2.gz OAOJCIWSUFJGDO-CQSZACIVSA-N 2 1 323.868 3.063 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254530451 1106095143 /nfs/dbraw/zinc/09/51/43/1106095143.db2.gz YMICWRQXWZDCOP-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254530451 1106095146 /nfs/dbraw/zinc/09/51/46/1106095146.db2.gz YMICWRQXWZDCOP-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)cc1 ZINC001254530451 1106095149 /nfs/dbraw/zinc/09/51/49/1106095149.db2.gz YMICWRQXWZDCOP-OALUTQOASA-N 2 1 316.489 3.434 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001254527521 1106095246 /nfs/dbraw/zinc/09/52/46/1106095246.db2.gz ZATHVIHXWNXLRX-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001254527521 1106095250 /nfs/dbraw/zinc/09/52/50/1106095250.db2.gz ZATHVIHXWNXLRX-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001254527521 1106095253 /nfs/dbraw/zinc/09/52/53/1106095253.db2.gz ZATHVIHXWNXLRX-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP COc1cccc([C@H]2CSCC[N@@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254529236 1106095333 /nfs/dbraw/zinc/09/53/33/1106095333.db2.gz FKIZJSVBJOZOIS-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254529236 1106095339 /nfs/dbraw/zinc/09/53/39/1106095339.db2.gz FKIZJSVBJOZOIS-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@H]2CSCC[NH+]2[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254529236 1106095346 /nfs/dbraw/zinc/09/53/46/1106095346.db2.gz FKIZJSVBJOZOIS-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@H]2CSCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254529236 1106095350 /nfs/dbraw/zinc/09/53/50/1106095350.db2.gz FKIZJSVBJOZOIS-FUHWJXTLSA-N 2 1 320.502 3.269 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CCC[NH+](C)CC1 ZINC001254532847 1106097255 /nfs/dbraw/zinc/09/72/55/1106097255.db2.gz YDOCGTORHYTRMQ-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1CCC[N@H+](C)CC1 ZINC001254532847 1106097259 /nfs/dbraw/zinc/09/72/59/1106097259.db2.gz YDOCGTORHYTRMQ-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532847 1106097265 /nfs/dbraw/zinc/09/72/65/1106097265.db2.gz YDOCGTORHYTRMQ-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(c2ccc(F)cc2)CC1 ZINC001254632758 1106116953 /nfs/dbraw/zinc/11/69/53/1106116953.db2.gz JHKBZVYYHWIQMK-UHFFFAOYSA-N 2 1 321.484 3.458 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2Cc3ccccc3C2)CC1 ZINC001255018217 1106166826 /nfs/dbraw/zinc/16/68/26/1106166826.db2.gz HXOAXRNTGSOUMX-MXVIHJGJSA-N 2 1 321.468 3.321 20 0 DGADMP [NH3+]CCCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001255100338 1106179835 /nfs/dbraw/zinc/17/98/35/1106179835.db2.gz ZMDBVXMWHMBFAF-FQEVSTJZSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+]CCC[N@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001255100338 1106179839 /nfs/dbraw/zinc/17/98/39/1106179839.db2.gz ZMDBVXMWHMBFAF-FQEVSTJZSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+]CCC[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001255100338 1106179842 /nfs/dbraw/zinc/17/98/42/1106179842.db2.gz ZMDBVXMWHMBFAF-FQEVSTJZSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+][C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001255102828 1106180031 /nfs/dbraw/zinc/18/00/31/1106180031.db2.gz OOGYICDBPOOAGU-MJGOQNOKSA-N 2 1 307.441 3.171 20 0 DGADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3CC[N@@H+](Cc4ccccc4)C3)c21 ZINC001255119617 1106183992 /nfs/dbraw/zinc/18/39/92/1106183992.db2.gz XIAOEPBDKICXEK-HKUYNNGSSA-N 2 1 324.472 3.173 20 0 DGADMP c1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001255122573 1106184178 /nfs/dbraw/zinc/18/41/78/1106184178.db2.gz RODBQCIJRFMYDV-BJWYYQGGSA-N 2 1 313.470 3.428 20 0 DGADMP c1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001255122573 1106184180 /nfs/dbraw/zinc/18/41/80/1106184180.db2.gz RODBQCIJRFMYDV-BJWYYQGGSA-N 2 1 313.470 3.428 20 0 DGADMP O[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125022 1106184700 /nfs/dbraw/zinc/18/47/00/1106184700.db2.gz QKUOVHRDXZAMTG-OBKDMQGPSA-N 2 1 314.473 3.075 20 0 DGADMP CCCN(CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125592 1106185300 /nfs/dbraw/zinc/18/53/00/1106185300.db2.gz YNAXPQFLEMAHHK-ACDBMABISA-N 2 1 315.505 3.243 20 0 DGADMP CC(C)N(CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124891 1106185463 /nfs/dbraw/zinc/18/54/63/1106185463.db2.gz PJFGZCARKTUSES-PMOLBWCYSA-N 2 1 315.505 3.241 20 0 DGADMP CO[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135525 1106186070 /nfs/dbraw/zinc/18/60/70/1106186070.db2.gz CFTHBUHBZSDNDR-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135525 1106186073 /nfs/dbraw/zinc/18/60/73/1106186073.db2.gz CFTHBUHBZSDNDR-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135525 1106186079 /nfs/dbraw/zinc/18/60/79/1106186079.db2.gz CFTHBUHBZSDNDR-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137390 1106187349 /nfs/dbraw/zinc/18/73/49/1106187349.db2.gz QMTWXNIPGVAHKQ-YSTOQKLRSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137390 1106187350 /nfs/dbraw/zinc/18/73/50/1106187350.db2.gz QMTWXNIPGVAHKQ-YSTOQKLRSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137390 1106187351 /nfs/dbraw/zinc/18/73/51/1106187351.db2.gz QMTWXNIPGVAHKQ-YSTOQKLRSA-N 2 1 314.473 3.150 20 0 DGADMP O[C@H]1CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135911 1106187478 /nfs/dbraw/zinc/18/74/78/1106187478.db2.gz GCYVCQKWYSEXHP-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135911 1106187480 /nfs/dbraw/zinc/18/74/80/1106187480.db2.gz GCYVCQKWYSEXHP-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135911 1106187481 /nfs/dbraw/zinc/18/74/81/1106187481.db2.gz GCYVCQKWYSEXHP-NMLBUPMWSA-N 2 1 314.473 3.029 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148932 1106190971 /nfs/dbraw/zinc/19/09/71/1106190971.db2.gz DISKZXAZFKEMJY-YRPNKDGESA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148932 1106190976 /nfs/dbraw/zinc/19/09/76/1106190976.db2.gz DISKZXAZFKEMJY-YRPNKDGESA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148932 1106190980 /nfs/dbraw/zinc/19/09/80/1106190980.db2.gz DISKZXAZFKEMJY-YRPNKDGESA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001255148932 1106190985 /nfs/dbraw/zinc/19/09/85/1106190985.db2.gz DISKZXAZFKEMJY-YRPNKDGESA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148927 1106191350 /nfs/dbraw/zinc/19/13/50/1106191350.db2.gz DISKZXAZFKEMJY-IYWMVGAKSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148927 1106191351 /nfs/dbraw/zinc/19/13/51/1106191351.db2.gz DISKZXAZFKEMJY-IYWMVGAKSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148927 1106191353 /nfs/dbraw/zinc/19/13/53/1106191353.db2.gz DISKZXAZFKEMJY-IYWMVGAKSA-N 2 1 312.457 3.047 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001255148927 1106191356 /nfs/dbraw/zinc/19/13/56/1106191356.db2.gz DISKZXAZFKEMJY-IYWMVGAKSA-N 2 1 312.457 3.047 20 0 DGADMP COc1ccccc1C[N@@H+]([C@@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255275413 1106214204 /nfs/dbraw/zinc/21/42/04/1106214204.db2.gz JYHVVXSTURCZEN-BRWVUGGUSA-N 2 1 320.502 3.273 20 0 DGADMP C1=C2CCCN([C@@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001255294963 1106217362 /nfs/dbraw/zinc/21/73/62/1106217362.db2.gz QGLXGZHDIDQYGQ-UURKPOQGSA-N 2 1 318.530 3.387 20 0 DGADMP CCCC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001255315696 1106220744 /nfs/dbraw/zinc/22/07/44/1106220744.db2.gz OEUNTNBNLJESQQ-MISYRCLQSA-N 2 1 321.553 3.494 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255376294 1106236010 /nfs/dbraw/zinc/23/60/10/1106236010.db2.gz AXYGONTVOGCNHI-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255376294 1106236013 /nfs/dbraw/zinc/23/60/13/1106236013.db2.gz AXYGONTVOGCNHI-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376294 1106236017 /nfs/dbraw/zinc/23/60/17/1106236017.db2.gz AXYGONTVOGCNHI-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255376294 1106236020 /nfs/dbraw/zinc/23/60/20/1106236020.db2.gz AXYGONTVOGCNHI-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376294 1106236025 /nfs/dbraw/zinc/23/60/25/1106236025.db2.gz AXYGONTVOGCNHI-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382046 1106236976 /nfs/dbraw/zinc/23/69/76/1106236976.db2.gz BAFIRMOSEPAMDL-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP Cn1cc(C2(N[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cn1 ZINC001255385351 1106237863 /nfs/dbraw/zinc/23/78/63/1106237863.db2.gz HCISRXPCBGHRIF-IBGZPJMESA-N 2 1 324.472 3.054 20 0 DGADMP Cn1cc(C2([NH2+][C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cn1 ZINC001255385351 1106237865 /nfs/dbraw/zinc/23/78/65/1106237865.db2.gz HCISRXPCBGHRIF-IBGZPJMESA-N 2 1 324.472 3.054 20 0 DGADMP Fc1ncccc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386453 1106238198 /nfs/dbraw/zinc/23/81/98/1106238198.db2.gz MWOKCSRUHMNTIR-GOSISDBHSA-N 2 1 313.420 3.365 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1C ZINC001255388406 1106239173 /nfs/dbraw/zinc/23/91/73/1106239173.db2.gz ZCQUHAIHLWVDLO-LJQANCHMSA-N 2 1 311.473 3.478 20 0 DGADMP OC[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397407 1106240658 /nfs/dbraw/zinc/24/06/58/1106240658.db2.gz GGDUJQLEPAWCMA-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397407 1106240660 /nfs/dbraw/zinc/24/06/60/1106240660.db2.gz GGDUJQLEPAWCMA-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP OC[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397407 1106240664 /nfs/dbraw/zinc/24/06/64/1106240664.db2.gz GGDUJQLEPAWCMA-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP OCc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393860 1106241468 /nfs/dbraw/zinc/24/14/68/1106241468.db2.gz RZEQSWWPCVOBJT-OAQYLSRUSA-N 2 1 324.468 3.323 20 0 DGADMP C[C@]1(O)CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255397771 1106242132 /nfs/dbraw/zinc/24/21/32/1106242132.db2.gz GVQHSEAOMPCLCA-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397771 1106242136 /nfs/dbraw/zinc/24/21/36/1106242136.db2.gz GVQHSEAOMPCLCA-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@]1(O)CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397771 1106242138 /nfs/dbraw/zinc/24/21/38/1106242138.db2.gz GVQHSEAOMPCLCA-UXHICEINSA-N 2 1 316.489 3.278 20 0 DGADMP C[NH+](C)C1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399577 1106244487 /nfs/dbraw/zinc/24/44/87/1106244487.db2.gz VKFUGSBIECZDFU-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP COCC[N@@H+](C(C)C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255402170 1106245253 /nfs/dbraw/zinc/24/52/53/1106245253.db2.gz FRIGWWLHQMWVSM-IBGZPJMESA-N 2 1 304.478 3.398 20 0 DGADMP COCC[NH+](C(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255402170 1106245258 /nfs/dbraw/zinc/24/52/58/1106245258.db2.gz FRIGWWLHQMWVSM-IBGZPJMESA-N 2 1 304.478 3.398 20 0 DGADMP COCC[NH+](C(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402170 1106245263 /nfs/dbraw/zinc/24/52/63/1106245263.db2.gz FRIGWWLHQMWVSM-IBGZPJMESA-N 2 1 304.478 3.398 20 0 DGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255407699 1106245996 /nfs/dbraw/zinc/24/59/96/1106245996.db2.gz CCQBJLCHXGHNCH-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255407699 1106245998 /nfs/dbraw/zinc/24/59/98/1106245998.db2.gz CCQBJLCHXGHNCH-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255407699 1106246003 /nfs/dbraw/zinc/24/60/03/1106246003.db2.gz CCQBJLCHXGHNCH-GSEOLPGOSA-N 2 1 314.473 3.008 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409366 1106246073 /nfs/dbraw/zinc/24/60/73/1106246073.db2.gz WICDWIGLKCGIJX-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409366 1106246078 /nfs/dbraw/zinc/24/60/78/1106246078.db2.gz WICDWIGLKCGIJX-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409366 1106246081 /nfs/dbraw/zinc/24/60/81/1106246081.db2.gz WICDWIGLKCGIJX-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001255409366 1106246086 /nfs/dbraw/zinc/24/60/86/1106246086.db2.gz WICDWIGLKCGIJX-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP CCC1(O)CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406215 1106246313 /nfs/dbraw/zinc/24/63/13/1106246313.db2.gz QMXSOLBTJUBUGI-LJQANCHMSA-N 2 1 316.489 3.278 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CCO1 ZINC001255534453 1106265675 /nfs/dbraw/zinc/26/56/75/1106265675.db2.gz UAAHSXQRPNJZMO-MRXNPFEDSA-N 2 1 306.425 3.033 20 0 DGADMP C[C@H](CC(F)(F)F)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001255652882 1106286776 /nfs/dbraw/zinc/28/67/76/1106286776.db2.gz VVAOCCLGMHHBBV-CHWSQXEVSA-N 2 1 322.415 3.339 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255662914 1106289232 /nfs/dbraw/zinc/28/92/32/1106289232.db2.gz VBEWDIUZUAISJF-MVCQKVDPSA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255662914 1106289234 /nfs/dbraw/zinc/28/92/34/1106289234.db2.gz VBEWDIUZUAISJF-MVCQKVDPSA-N 2 1 314.473 3.157 20 0 DGADMP C[NH+](C)CC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001255665760 1106290071 /nfs/dbraw/zinc/29/00/71/1106290071.db2.gz FNIQHECATXOHDV-RAFMOHDBSA-N 2 1 315.505 3.284 20 0 DGADMP CSc1ccc(OCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255667222 1106290365 /nfs/dbraw/zinc/29/03/65/1106290365.db2.gz AUTGACOYCZSQPG-MQVJKMGUSA-N 2 1 320.502 3.392 20 0 DGADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671743 1106290998 /nfs/dbraw/zinc/29/09/98/1106290998.db2.gz PEIUDAQJUYJPIB-DAABDDCCSA-N 2 1 315.505 3.099 20 0 DGADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001255672035 1106291772 /nfs/dbraw/zinc/29/17/72/1106291772.db2.gz VVRNXWOEYMFDAL-FBVQUNGASA-N 2 1 322.493 3.103 20 0 DGADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001255672035 1106291777 /nfs/dbraw/zinc/29/17/77/1106291777.db2.gz VVRNXWOEYMFDAL-FBVQUNGASA-N 2 1 322.493 3.103 20 0 DGADMP COc1ccc(C2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001255671936 1106291844 /nfs/dbraw/zinc/29/18/44/1106291844.db2.gz XVZFXJKAHUWEPJ-ALOPSCKCSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001255671936 1106291848 /nfs/dbraw/zinc/29/18/48/1106291848.db2.gz XVZFXJKAHUWEPJ-ALOPSCKCSA-N 2 1 300.446 3.289 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])cc1 ZINC001255781385 1106315061 /nfs/dbraw/zinc/31/50/61/1106315061.db2.gz LYOUCGTXYTVHJC-QGZVFWFLSA-N 3 1 319.537 3.401 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](CCO)c1cccc(Cl)c1 ZINC001255942786 1106345524 /nfs/dbraw/zinc/34/55/24/1106345524.db2.gz BAXYPRLZJHYAJZ-WMLDXEAASA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CCO)c1cccc(Cl)c1 ZINC001255942782 1106345652 /nfs/dbraw/zinc/34/56/52/1106345652.db2.gz BAXYPRLZJHYAJZ-PBHICJAKSA-N 2 1 312.885 3.474 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001255947166 1106346160 /nfs/dbraw/zinc/34/61/60/1106346160.db2.gz OUSAGJUXDZHTHO-QGZVFWFLSA-N 2 1 314.477 3.141 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H](O)c1cc2ccccc2o1 ZINC001255951967 1106347911 /nfs/dbraw/zinc/34/79/11/1106347911.db2.gz LNMLUPGSBUSROY-GOEBONIOSA-N 2 1 304.434 3.176 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001255952330 1106348472 /nfs/dbraw/zinc/34/84/72/1106348472.db2.gz UIEFSKMHRFIFIF-KRWDZBQOSA-N 3 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccncc1OC)C1CC1 ZINC001255955702 1106350164 /nfs/dbraw/zinc/35/01/64/1106350164.db2.gz WZFGTRMGMGSEFB-KBXCAEBGSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCCC(=O)c1cccnc1 ZINC001255963742 1106350780 /nfs/dbraw/zinc/35/07/80/1106350780.db2.gz JVSVTIPJBJWTDN-MRXNPFEDSA-N 2 1 305.466 3.097 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001255963742 1106350782 /nfs/dbraw/zinc/35/07/82/1106350782.db2.gz JVSVTIPJBJWTDN-MRXNPFEDSA-N 2 1 305.466 3.097 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001255962223 1106351369 /nfs/dbraw/zinc/35/13/69/1106351369.db2.gz SFBRUKXPCARRSE-CRAIPNDOSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001255962223 1106351372 /nfs/dbraw/zinc/35/13/72/1106351372.db2.gz SFBRUKXPCARRSE-CRAIPNDOSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001255972318 1106353063 /nfs/dbraw/zinc/35/30/63/1106353063.db2.gz POJYVFYPVMNSEF-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001255972318 1106353069 /nfs/dbraw/zinc/35/30/69/1106353069.db2.gz POJYVFYPVMNSEF-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP COc1ccc(CC(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256072004 1106364039 /nfs/dbraw/zinc/36/40/39/1106364039.db2.gz USSJWYUATVNLGB-UHFFFAOYSA-N 2 1 316.489 3.480 20 0 DGADMP Fc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)c1 ZINC001256071615 1106364510 /nfs/dbraw/zinc/36/45/10/1106364510.db2.gz HCYSLUISCIAIRD-UHFFFAOYSA-N 2 1 318.436 3.048 20 0 DGADMP FC(F)(F)C(CC[NH2+]C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC001256074124 1106364988 /nfs/dbraw/zinc/36/49/88/1106364988.db2.gz LMGIYAQFBAHFMP-UHFFFAOYSA-N 2 1 318.305 3.334 20 0 DGADMP COC1(c2ccccc2)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256080775 1106366447 /nfs/dbraw/zinc/36/64/47/1106366447.db2.gz AZUFHBFUTRJORF-UHFFFAOYSA-N 2 1 314.473 3.251 20 0 DGADMP CN1CCC([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256199749 1106389943 /nfs/dbraw/zinc/38/99/43/1106389943.db2.gz XCIWXQXSHPQIIC-IYARVYRRSA-N 2 1 307.526 3.233 20 0 DGADMP C[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001256209222 1106390909 /nfs/dbraw/zinc/39/09/09/1106390909.db2.gz UHVNHEVDEOVXNQ-AWEZNQCLSA-N 2 1 323.278 3.333 20 0 DGADMP C[NH+]1CCC([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001256209222 1106390913 /nfs/dbraw/zinc/39/09/13/1106390913.db2.gz UHVNHEVDEOVXNQ-AWEZNQCLSA-N 2 1 323.278 3.333 20 0 DGADMP [NH3+]CCCc1[nH+]ccn1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307352 1106403559 /nfs/dbraw/zinc/40/35/59/1106403559.db2.gz TUGAWBAQLUBOLI-UHFFFAOYSA-N 2 1 318.852 3.269 20 0 DGADMP CC(C)CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001256353392 1106408593 /nfs/dbraw/zinc/40/85/93/1106408593.db2.gz SKBVWHZWYNVBCP-KRWDZBQOSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256408007 1106416862 /nfs/dbraw/zinc/41/68/62/1106416862.db2.gz UHUCPUBQVNMPEL-ZWOKBUDYSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001256422463 1106419303 /nfs/dbraw/zinc/41/93/03/1106419303.db2.gz RPNIITLUTXFHLN-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001256422463 1106419305 /nfs/dbraw/zinc/41/93/05/1106419305.db2.gz RPNIITLUTXFHLN-WDSOQIARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001256418721 1106419470 /nfs/dbraw/zinc/41/94/70/1106419470.db2.gz YJFITFOREDBNGN-PKOBYXMFSA-N 2 1 301.478 3.353 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256527445 1106434502 /nfs/dbraw/zinc/43/45/02/1106434502.db2.gz RYKGPFKLPWTLGI-SZMVWBNQSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256527445 1106434506 /nfs/dbraw/zinc/43/45/06/1106434506.db2.gz RYKGPFKLPWTLGI-SZMVWBNQSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256526603 1106434663 /nfs/dbraw/zinc/43/46/63/1106434663.db2.gz NEDLYKLVOYJBKM-SGZDXZSOSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526603 1106434665 /nfs/dbraw/zinc/43/46/65/1106434665.db2.gz NEDLYKLVOYJBKM-SGZDXZSOSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256526603 1106434666 /nfs/dbraw/zinc/43/46/66/1106434666.db2.gz NEDLYKLVOYJBKM-SGZDXZSOSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526603 1106434669 /nfs/dbraw/zinc/43/46/69/1106434669.db2.gz NEDLYKLVOYJBKM-SGZDXZSOSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256526603 1106434670 /nfs/dbraw/zinc/43/46/70/1106434670.db2.gz NEDLYKLVOYJBKM-SGZDXZSOSA-N 3 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537418 1106436906 /nfs/dbraw/zinc/43/69/06/1106436906.db2.gz NXYNOUFHXDBWFE-AEFFLSMTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537418 1106436909 /nfs/dbraw/zinc/43/69/09/1106436909.db2.gz NXYNOUFHXDBWFE-AEFFLSMTSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001256535097 1106436947 /nfs/dbraw/zinc/43/69/47/1106436947.db2.gz CQCAMCVNEXCYSC-MTFMMBMASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001256535097 1106436950 /nfs/dbraw/zinc/43/69/50/1106436950.db2.gz CQCAMCVNEXCYSC-MTFMMBMASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001256536307 1106436960 /nfs/dbraw/zinc/43/69/60/1106436960.db2.gz CXZBUOVAZKVRMZ-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001256536307 1106436962 /nfs/dbraw/zinc/43/69/62/1106436962.db2.gz CXZBUOVAZKVRMZ-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001256536307 1106436966 /nfs/dbraw/zinc/43/69/66/1106436966.db2.gz CXZBUOVAZKVRMZ-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001256536307 1106436968 /nfs/dbraw/zinc/43/69/68/1106436968.db2.gz CXZBUOVAZKVRMZ-BWPNAZKDSA-N 2 1 316.489 3.132 20 0 DGADMP COC[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536836 1106437213 /nfs/dbraw/zinc/43/72/13/1106437213.db2.gz GJQJYZQLXFRUED-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536836 1106437215 /nfs/dbraw/zinc/43/72/15/1106437215.db2.gz GJQJYZQLXFRUED-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536836 1106437217 /nfs/dbraw/zinc/43/72/17/1106437217.db2.gz GJQJYZQLXFRUED-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536836 1106437219 /nfs/dbraw/zinc/43/72/19/1106437219.db2.gz GJQJYZQLXFRUED-UHOSZYNNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H](N(C)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539747 1106437775 /nfs/dbraw/zinc/43/77/75/1106437775.db2.gz YGKVOFMRHVTYJN-XLIONFOSSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@](C)(O)[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542835 1106439457 /nfs/dbraw/zinc/43/94/57/1106439457.db2.gz QONOHBMDCSDTLH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@](C)(O)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542835 1106439460 /nfs/dbraw/zinc/43/94/60/1106439460.db2.gz QONOHBMDCSDTLH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542835 1106439463 /nfs/dbraw/zinc/43/94/63/1106439463.db2.gz QONOHBMDCSDTLH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(O)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542835 1106439465 /nfs/dbraw/zinc/43/94/65/1106439465.db2.gz QONOHBMDCSDTLH-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549936 1106440479 /nfs/dbraw/zinc/44/04/79/1106440479.db2.gz KAQSOWVMNOBKDR-MJGOQNOKSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCCCC23COC3)CCN1Cc1ccccc1 ZINC001256549936 1106440481 /nfs/dbraw/zinc/44/04/81/1106440481.db2.gz KAQSOWVMNOBKDR-MJGOQNOKSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)(C)O)CCN1Cc1ccccc1 ZINC001256552408 1106440606 /nfs/dbraw/zinc/44/06/06/1106440606.db2.gz BZRLTLCLHWEQNA-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H]2C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256552408 1106440608 /nfs/dbraw/zinc/44/06/08/1106440608.db2.gz BZRLTLCLHWEQNA-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H]2C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256552408 1106440611 /nfs/dbraw/zinc/44/06/11/1106440611.db2.gz BZRLTLCLHWEQNA-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552408 1106440613 /nfs/dbraw/zinc/44/06/13/1106440613.db2.gz BZRLTLCLHWEQNA-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552408 1106440616 /nfs/dbraw/zinc/44/06/16/1106440616.db2.gz BZRLTLCLHWEQNA-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP COCC[N@@H+](C(C)C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256551702 1106440724 /nfs/dbraw/zinc/44/07/24/1106440724.db2.gz UVRMXHNTTBNMAW-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@H+](C(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551702 1106440726 /nfs/dbraw/zinc/44/07/26/1106440726.db2.gz UVRMXHNTTBNMAW-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@@H+](C(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551702 1106440729 /nfs/dbraw/zinc/44/07/29/1106440729.db2.gz UVRMXHNTTBNMAW-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551702 1106440730 /nfs/dbraw/zinc/44/07/30/1106440730.db2.gz UVRMXHNTTBNMAW-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551702 1106440733 /nfs/dbraw/zinc/44/07/33/1106440733.db2.gz UVRMXHNTTBNMAW-MJGOQNOKSA-N 2 1 304.478 3.396 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1Cc1ccccc1 ZINC001256551642 1106440897 /nfs/dbraw/zinc/44/08/97/1106440897.db2.gz SWWNRCZWJQWIOI-LZBKUMLDSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256551642 1106440901 /nfs/dbraw/zinc/44/09/01/1106440901.db2.gz SWWNRCZWJQWIOI-LZBKUMLDSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256551642 1106440902 /nfs/dbraw/zinc/44/09/02/1106440902.db2.gz SWWNRCZWJQWIOI-LZBKUMLDSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551642 1106440907 /nfs/dbraw/zinc/44/09/07/1106440907.db2.gz SWWNRCZWJQWIOI-LZBKUMLDSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256551642 1106440909 /nfs/dbraw/zinc/44/09/09/1106440909.db2.gz SWWNRCZWJQWIOI-LZBKUMLDSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552287 1106441438 /nfs/dbraw/zinc/44/14/38/1106441438.db2.gz BDKPCHZNFAAGAU-GTAWCEEGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552287 1106441439 /nfs/dbraw/zinc/44/14/39/1106441439.db2.gz BDKPCHZNFAAGAU-GTAWCEEGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555716 1106443209 /nfs/dbraw/zinc/44/32/09/1106443209.db2.gz VXLFTNBYOYOJEA-QTUASDBPSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555716 1106443211 /nfs/dbraw/zinc/44/32/11/1106443211.db2.gz VXLFTNBYOYOJEA-QTUASDBPSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555716 1106443214 /nfs/dbraw/zinc/44/32/14/1106443214.db2.gz VXLFTNBYOYOJEA-QTUASDBPSA-N 2 1 302.437 3.187 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256555716 1106443217 /nfs/dbraw/zinc/44/32/17/1106443217.db2.gz VXLFTNBYOYOJEA-QTUASDBPSA-N 2 1 302.437 3.187 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560898 1106444952 /nfs/dbraw/zinc/44/49/52/1106444952.db2.gz UQAHFJRSVVOSSN-FCEWJHQRSA-N 2 1 302.462 3.006 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560898 1106444954 /nfs/dbraw/zinc/44/49/54/1106444954.db2.gz UQAHFJRSVVOSSN-FCEWJHQRSA-N 2 1 302.462 3.006 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256572152 1106447642 /nfs/dbraw/zinc/44/76/42/1106447642.db2.gz OVZZPBDBADDZIG-OAHLLOKOSA-N 2 1 324.509 3.303 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256572152 1106447646 /nfs/dbraw/zinc/44/76/46/1106447646.db2.gz OVZZPBDBADDZIG-OAHLLOKOSA-N 2 1 324.509 3.303 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001256569508 1106447837 /nfs/dbraw/zinc/44/78/37/1106447837.db2.gz HSOQXVBBTTXJIX-HNNXBMFYSA-N 2 1 322.415 3.029 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001256569508 1106447840 /nfs/dbraw/zinc/44/78/40/1106447840.db2.gz HSOQXVBBTTXJIX-HNNXBMFYSA-N 2 1 322.415 3.029 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001256604256 1106452233 /nfs/dbraw/zinc/45/22/33/1106452233.db2.gz NSESVCWCLSGRCN-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@]4(C3)CCCOC4)CC2)cc1 ZINC001256609917 1106453867 /nfs/dbraw/zinc/45/38/67/1106453867.db2.gz UNOPSANQYJEDSW-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@]4(C3)CCCOC4)CC2)cc1 ZINC001256609917 1106453868 /nfs/dbraw/zinc/45/38/68/1106453868.db2.gz UNOPSANQYJEDSW-FQEVSTJZSA-N 2 1 314.473 3.154 20 0 DGADMP CSc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256617458 1106454725 /nfs/dbraw/zinc/45/47/25/1106454725.db2.gz PPHSZSFZCPVVAH-GOOCMWNKSA-N 2 1 306.475 3.002 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)C2 ZINC001256636811 1106459026 /nfs/dbraw/zinc/45/90/26/1106459026.db2.gz OHKBPLJNYGRXSB-SZMVWBNQSA-N 2 1 302.462 3.015 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256649939 1106462069 /nfs/dbraw/zinc/46/20/69/1106462069.db2.gz FPQBEVUEJUSJRT-SFHVURJKSA-N 2 1 316.489 3.359 20 0 DGADMP C1CCC2(C1)CCC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256691950 1106469766 /nfs/dbraw/zinc/46/97/66/1106469766.db2.gz RNRUHDPYMRZVRD-UHFFFAOYSA-N 2 1 306.494 3.286 20 0 DGADMP c1ccc([C@H]2CC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256689073 1106469862 /nfs/dbraw/zinc/46/98/62/1106469862.db2.gz OTWGUOBIXRNMRY-HDYDNRTBSA-N 2 1 314.473 3.119 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256819428 1106490244 /nfs/dbraw/zinc/49/02/44/1106490244.db2.gz CAXNLYTYHRKDOI-UXHICEINSA-N 2 1 314.473 3.465 20 0 DGADMP C[C@H](Cc1ccccc1Br)n1cc[nH+]c1CCC[NH3+] ZINC001256837154 1106494003 /nfs/dbraw/zinc/49/40/03/1106494003.db2.gz BBSIJMKJOYHZBK-GFCCVEGCSA-N 2 1 322.250 3.341 20 0 DGADMP O[C@@H](CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256899399 1106504555 /nfs/dbraw/zinc/50/45/55/1106504555.db2.gz GGXILUPTULJYAE-MJGOQNOKSA-N 2 1 302.462 3.107 20 0 DGADMP CC(C)(Cc1ccncc1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904533 1106506874 /nfs/dbraw/zinc/50/68/74/1106506874.db2.gz INEAPVZCOQXRFT-QGZVFWFLSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)(Cc1ccncc1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904533 1106506878 /nfs/dbraw/zinc/50/68/78/1106506878.db2.gz INEAPVZCOQXRFT-QGZVFWFLSA-N 2 1 301.478 3.399 20 0 DGADMP c1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)CO2 ZINC001256904555 1106507323 /nfs/dbraw/zinc/50/73/23/1106507323.db2.gz JDJSEBHCGNSMLP-FUHWJXTLSA-N 2 1 314.473 3.234 20 0 DGADMP c1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)CO2 ZINC001256904555 1106507327 /nfs/dbraw/zinc/50/73/27/1106507327.db2.gz JDJSEBHCGNSMLP-FUHWJXTLSA-N 2 1 314.473 3.234 20 0 DGADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907642 1106508478 /nfs/dbraw/zinc/50/84/78/1106508478.db2.gz FKVYHBOGFIDJBD-BPQIPLTHSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907642 1106508479 /nfs/dbraw/zinc/50/84/79/1106508479.db2.gz FKVYHBOGFIDJBD-BPQIPLTHSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256923323 1106513380 /nfs/dbraw/zinc/51/33/80/1106513380.db2.gz QOTKLKPKHDCRKL-WMZOPIPTSA-N 2 1 316.493 3.305 20 0 DGADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257043002 1106529272 /nfs/dbraw/zinc/52/92/72/1106529272.db2.gz GLIPOOXWHKDZDC-LAQRGFTBSA-N 2 1 322.493 3.233 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257212833 1106552611 /nfs/dbraw/zinc/55/26/11/1106552611.db2.gz ANPRRFGNTSARKJ-INIZCTEOSA-N 2 1 302.462 3.357 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](C(C)C)CC1 ZINC001257223218 1106554388 /nfs/dbraw/zinc/55/43/88/1106554388.db2.gz NHWFYDMLCFQZCN-UHFFFAOYSA-N 2 1 304.434 3.110 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](C(C)C)CC1 ZINC001257223218 1106554390 /nfs/dbraw/zinc/55/43/90/1106554390.db2.gz NHWFYDMLCFQZCN-UHFFFAOYSA-N 2 1 304.434 3.110 20 0 DGADMP CCC[C@@H](CC)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001257250276 1106555822 /nfs/dbraw/zinc/55/58/22/1106555822.db2.gz XSEUSOFWYZBESB-HXUWFJFHSA-N 2 1 317.521 3.492 20 0 DGADMP CCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001257310108 1106564766 /nfs/dbraw/zinc/56/47/66/1106564766.db2.gz QHYNJUKPQWAPAH-INIZCTEOSA-N 2 1 304.478 3.480 20 0 DGADMP CCCC(CCC)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257340223 1106570972 /nfs/dbraw/zinc/57/09/72/1106570972.db2.gz SFGNMEDLQLXPGI-UHFFFAOYSA-N 2 1 321.513 3.293 20 0 DGADMP CCCC(CCC)N1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001257340223 1106570975 /nfs/dbraw/zinc/57/09/75/1106570975.db2.gz SFGNMEDLQLXPGI-UHFFFAOYSA-N 2 1 321.513 3.293 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C1CCCC1)CC2 ZINC001257351256 1106572849 /nfs/dbraw/zinc/57/28/49/1106572849.db2.gz YJIGSURCNUAKMN-KRWDZBQOSA-N 2 1 318.461 3.278 20 0 DGADMP CCCC[C@@H](CC)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001257421105 1106585407 /nfs/dbraw/zinc/58/54/07/1106585407.db2.gz SCJIFOQZIQYZHB-QGZVFWFLSA-N 2 1 318.509 3.306 20 0 DGADMP CC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001257441196 1106590075 /nfs/dbraw/zinc/59/00/75/1106590075.db2.gz VTXKMTAGEOJGPJ-PWIZWCRZSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001257441196 1106590079 /nfs/dbraw/zinc/59/00/79/1106590079.db2.gz VTXKMTAGEOJGPJ-PWIZWCRZSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001257441196 1106590081 /nfs/dbraw/zinc/59/00/81/1106590081.db2.gz VTXKMTAGEOJGPJ-PWIZWCRZSA-N 2 1 320.521 3.245 20 0 DGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257666161 1106617200 /nfs/dbraw/zinc/61/72/00/1106617200.db2.gz JVGLMAFTMKJHQA-CYBMUJFWSA-N 2 1 310.894 3.485 20 0 DGADMP C[NH+]1CCC([NH2+]C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257817273 1106630700 /nfs/dbraw/zinc/63/07/00/1106630700.db2.gz XGSWBTZQHDKSGC-UHFFFAOYSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829138 1106632091 /nfs/dbraw/zinc/63/20/91/1106632091.db2.gz IRRHDQOCRRNUQT-ACAXCVFMSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829138 1106632093 /nfs/dbraw/zinc/63/20/93/1106632093.db2.gz IRRHDQOCRRNUQT-ACAXCVFMSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC2(COC2)CC1 ZINC001257900475 1106643673 /nfs/dbraw/zinc/64/36/73/1106643673.db2.gz CDVMWVANMLADMQ-MRXNPFEDSA-N 2 1 302.462 3.043 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257948590 1106648169 /nfs/dbraw/zinc/64/81/69/1106648169.db2.gz PWSUCGCURJDYSE-WMLDXEAASA-N 2 1 322.880 3.498 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001258008077 1106657387 /nfs/dbraw/zinc/65/73/87/1106657387.db2.gz CUANHVFLBCVNEE-UHFFFAOYSA-N 2 1 318.461 3.073 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001258013975 1106658418 /nfs/dbraw/zinc/65/84/18/1106658418.db2.gz ASDWSURPTVTWBF-QGZVFWFLSA-N 2 1 301.478 3.381 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001258017794 1106659179 /nfs/dbraw/zinc/65/91/79/1106659179.db2.gz PLMDNVPQBFTTTN-MRXNPFEDSA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001258020476 1106660290 /nfs/dbraw/zinc/66/02/90/1106660290.db2.gz VNVBTZGHESWYNT-LJQANCHMSA-N 2 1 320.452 3.399 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001258020476 1106660291 /nfs/dbraw/zinc/66/02/91/1106660291.db2.gz VNVBTZGHESWYNT-LJQANCHMSA-N 2 1 320.452 3.399 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001258108854 1106674438 /nfs/dbraw/zinc/67/44/38/1106674438.db2.gz BUAINIGQKPBICC-SJORKVTESA-N 2 1 320.477 3.205 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258113302 1106675404 /nfs/dbraw/zinc/67/54/04/1106675404.db2.gz RDOABEMTMYJZBL-BFYDXBDKSA-N 2 1 310.482 3.233 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147968 1106681083 /nfs/dbraw/zinc/68/10/83/1106681083.db2.gz WLFHDQBYFAQNRB-WDSOQIARSA-N 2 1 302.437 3.126 20 0 DGADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147968 1106681086 /nfs/dbraw/zinc/68/10/86/1106681086.db2.gz WLFHDQBYFAQNRB-WDSOQIARSA-N 2 1 302.437 3.126 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@H]2C[C@H](C)C[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001258160315 1106683448 /nfs/dbraw/zinc/68/34/48/1106683448.db2.gz RTJPODAIGHOTFC-ZSHCYNCHSA-N 2 1 318.509 3.366 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn(C2C[C@H](C)C[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001258160314 1106683627 /nfs/dbraw/zinc/68/36/27/1106683627.db2.gz RTJPODAIGHOTFC-HUUCEWRRSA-N 2 1 318.509 3.366 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001258404568 1106731793 /nfs/dbraw/zinc/73/17/93/1106731793.db2.gz SIPAZINULGPKPL-INIZCTEOSA-N 2 1 304.478 3.290 20 0 DGADMP C[C@@H](CC1CC1)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001258460769 1106756956 /nfs/dbraw/zinc/75/69/56/1106756956.db2.gz KDXUZWPMRMHOAG-INIZCTEOSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@@H](CC1CC1)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001258460769 1106756969 /nfs/dbraw/zinc/75/69/69/1106756969.db2.gz KDXUZWPMRMHOAG-INIZCTEOSA-N 2 1 318.461 3.135 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC001258509866 1106789868 /nfs/dbraw/zinc/78/98/68/1106789868.db2.gz JKJRMGKCFNZUMP-XLIONFOSSA-N 2 1 315.505 3.364 20 0 DGADMP C[N@H+](C1CC1)C1CC[NH+](C2CCN(c3ccccc3)CC2)CC1 ZINC001258515216 1106792690 /nfs/dbraw/zinc/79/26/90/1106792690.db2.gz KUQSOHQLXNBRCZ-UHFFFAOYSA-N 2 1 313.489 3.214 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCN(c3ccccc3)CC2)CC1 ZINC001258515216 1106792704 /nfs/dbraw/zinc/79/27/04/1106792704.db2.gz KUQSOHQLXNBRCZ-UHFFFAOYSA-N 2 1 313.489 3.214 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CC2)OCC(C)(C)CO3)C1 ZINC001258518354 1106794842 /nfs/dbraw/zinc/79/48/42/1106794842.db2.gz JGCSQSNWPGAZCH-INIZCTEOSA-N 2 1 324.509 3.020 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001316943310 1106797153 /nfs/dbraw/zinc/79/71/53/1106797153.db2.gz IQQCVNZTWDAGAK-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001316943310 1106797164 /nfs/dbraw/zinc/79/71/64/1106797164.db2.gz IQQCVNZTWDAGAK-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001316943310 1106797177 /nfs/dbraw/zinc/79/71/77/1106797177.db2.gz IQQCVNZTWDAGAK-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCC(C)(C)C1)C2 ZINC001258603663 1106843264 /nfs/dbraw/zinc/84/32/64/1106843264.db2.gz MWGBIDAKYDJOMG-CMKODMSKSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258603663 1106843279 /nfs/dbraw/zinc/84/32/79/1106843279.db2.gz MWGBIDAKYDJOMG-CMKODMSKSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258603663 1106843294 /nfs/dbraw/zinc/84/32/94/1106843294.db2.gz MWGBIDAKYDJOMG-CMKODMSKSA-N 2 1 320.521 3.245 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)cc1F ZINC001320310462 1106956382 /nfs/dbraw/zinc/95/63/82/1106956382.db2.gz LFNMYZMXHHCZGD-QGTPRVQTSA-N 2 1 322.468 3.475 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)CC1 ZINC001258776956 1106969646 /nfs/dbraw/zinc/96/96/46/1106969646.db2.gz JNRGEDZPSSPQQL-GOSISDBHSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ncccc3C)C2)CC1 ZINC001258776956 1106969659 /nfs/dbraw/zinc/96/96/59/1106969659.db2.gz JNRGEDZPSSPQQL-GOSISDBHSA-N 2 1 317.477 3.108 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001320508927 1107033481 /nfs/dbraw/zinc/03/34/81/1107033481.db2.gz DMOLUHLQNBCGKI-AWEZNQCLSA-N 2 1 316.367 3.011 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258881398 1107034355 /nfs/dbraw/zinc/03/43/55/1107034355.db2.gz RFPQNPHHDWLZGU-OWLYRPNTSA-N 2 1 302.462 3.231 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258881398 1107034369 /nfs/dbraw/zinc/03/43/69/1107034369.db2.gz RFPQNPHHDWLZGU-OWLYRPNTSA-N 2 1 302.462 3.231 20 0 DGADMP CCOC(=O)[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)[C@@H](C)CC ZINC001258900637 1107047813 /nfs/dbraw/zinc/04/78/13/1107047813.db2.gz PZRHBEAHAYNRFJ-JYJNAYRXSA-N 2 1 300.487 3.064 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258908469 1107055557 /nfs/dbraw/zinc/05/55/57/1107055557.db2.gz VYTKKAKCWHAWTO-ILXRZTDVSA-N 2 1 324.431 3.132 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001320759639 1107128495 /nfs/dbraw/zinc/12/84/95/1107128495.db2.gz PRHDWJJRCUEVGA-HOTGVXAUSA-N 2 1 324.896 3.362 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001320759639 1107128499 /nfs/dbraw/zinc/12/84/99/1107128499.db2.gz PRHDWJJRCUEVGA-HOTGVXAUSA-N 2 1 324.896 3.362 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)C1 ZINC001261138660 1107351664 /nfs/dbraw/zinc/35/16/64/1107351664.db2.gz UNJVTFFVRSTAGX-XJKSGUPXSA-N 2 1 306.425 3.143 20 0 DGADMP CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001317484997 1107441179 /nfs/dbraw/zinc/44/11/79/1107441179.db2.gz WBBCAWJWSQIRPL-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317484997 1107441183 /nfs/dbraw/zinc/44/11/83/1107441183.db2.gz WBBCAWJWSQIRPL-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001317484997 1107441185 /nfs/dbraw/zinc/44/11/85/1107441185.db2.gz WBBCAWJWSQIRPL-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261554686 1107464008 /nfs/dbraw/zinc/46/40/08/1107464008.db2.gz KHDCTZNGXDICCH-UHFFFAOYSA-N 2 1 308.416 3.363 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc4c3NCCC4)C2)CC1 ZINC001262111551 1107623956 /nfs/dbraw/zinc/62/39/56/1107623956.db2.gz JDBJHCAXXPTOHM-UHFFFAOYSA-N 2 1 313.489 3.353 20 0 DGADMP C/C(=C\c1ccccc1)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001262113487 1107625649 /nfs/dbraw/zinc/62/56/49/1107625649.db2.gz PNTJLFSKANCJNF-BMRADRMJSA-N 2 1 314.473 3.323 20 0 DGADMP COCc1csc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001262378936 1107707538 /nfs/dbraw/zinc/70/75/38/1107707538.db2.gz OWAQFLORHXVTQF-HRCADAONSA-N 2 1 308.491 3.057 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(C4CC4)s3)C[C@H]2C1 ZINC001262379282 1107708887 /nfs/dbraw/zinc/70/88/87/1107708887.db2.gz WMBLGHBUTFDKKF-RBSFLKMASA-N 2 1 305.491 3.183 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319201299 1108364050 /nfs/dbraw/zinc/36/40/50/1108364050.db2.gz PSCMOKNKAXSROG-GUDVDZBRSA-N 2 1 322.468 3.236 20 0 DGADMP CN(C[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388256545 1108547520 /nfs/dbraw/zinc/54/75/20/1108547520.db2.gz AKGXSAPTLIGHOK-LEWJYISDSA-N 2 1 323.484 3.283 20 0 DGADMP CN(CC[C@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388736559 1108593030 /nfs/dbraw/zinc/59/30/30/1108593030.db2.gz BWSFPAFEFNNNBJ-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000389083783 1108621437 /nfs/dbraw/zinc/62/14/37/1108621437.db2.gz LWPHJJKVIDTXKB-XTBFLFJDSA-N 2 1 323.278 3.049 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3CC[C@H]2C)[C@H](C)C1 ZINC001319784175 1108634377 /nfs/dbraw/zinc/63/43/77/1108634377.db2.gz MIDGUSLVNIYVFV-LMMKCTJWSA-N 2 1 315.505 3.148 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1N1CCCC1 ZINC001319814786 1108648394 /nfs/dbraw/zinc/64/83/94/1108648394.db2.gz XNDPWZTWXUGPPJ-MRXNPFEDSA-N 2 1 312.461 3.218 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CCN1C ZINC001319948245 1108708385 /nfs/dbraw/zinc/70/83/85/1108708385.db2.gz LJYWXMWWFBDHEA-AEFFLSMTSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948245 1108708396 /nfs/dbraw/zinc/70/83/96/1108708396.db2.gz LJYWXMWWFBDHEA-AEFFLSMTSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948245 1108708402 /nfs/dbraw/zinc/70/84/02/1108708402.db2.gz LJYWXMWWFBDHEA-AEFFLSMTSA-N 2 1 301.478 3.201 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001266240525 1109137234 /nfs/dbraw/zinc/13/72/34/1109137234.db2.gz WVBJBHVVAFMJPZ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266240525 1109137236 /nfs/dbraw/zinc/13/72/36/1109137236.db2.gz WVBJBHVVAFMJPZ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266240525 1109137237 /nfs/dbraw/zinc/13/72/37/1109137237.db2.gz WVBJBHVVAFMJPZ-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001284127618 1109742448 /nfs/dbraw/zinc/74/24/48/1109742448.db2.gz CIMRXEJYKAKWMF-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001284127618 1109742451 /nfs/dbraw/zinc/74/24/51/1109742451.db2.gz CIMRXEJYKAKWMF-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001284127618 1109742454 /nfs/dbraw/zinc/74/24/54/1109742454.db2.gz CIMRXEJYKAKWMF-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001305973994 1111213909 /nfs/dbraw/zinc/21/39/09/1111213909.db2.gz UXSQSVFDZAPSOB-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CCN1C ZINC001307516231 1111309295 /nfs/dbraw/zinc/30/92/95/1111309295.db2.gz DVYUQQCDJDJRNK-STQMWFEESA-N 2 1 314.832 3.272 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001307516231 1111309298 /nfs/dbraw/zinc/30/92/98/1111309298.db2.gz DVYUQQCDJDJRNK-STQMWFEESA-N 2 1 314.832 3.272 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC001307516231 1111309311 /nfs/dbraw/zinc/30/93/11/1111309311.db2.gz DVYUQQCDJDJRNK-STQMWFEESA-N 2 1 314.832 3.272 20 0 DGADMP Cc1cccc(C)c1C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C(C)C ZINC001307871069 1111348843 /nfs/dbraw/zinc/34/88/43/1111348843.db2.gz TUZZDJYKLDEKIB-LJQANCHMSA-N 2 1 320.521 3.463 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C(C)C ZINC001307871069 1111348848 /nfs/dbraw/zinc/34/88/48/1111348848.db2.gz TUZZDJYKLDEKIB-LJQANCHMSA-N 2 1 320.521 3.463 20 0 DGADMP Cc1cccc(C)c1C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C ZINC001307871069 1111348853 /nfs/dbraw/zinc/34/88/53/1111348853.db2.gz TUZZDJYKLDEKIB-LJQANCHMSA-N 2 1 320.521 3.463 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001307952819 1111359025 /nfs/dbraw/zinc/35/90/25/1111359025.db2.gz YHLSCHWLQUQNLM-QXAKKESOSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001307952819 1111359028 /nfs/dbraw/zinc/35/90/28/1111359028.db2.gz YHLSCHWLQUQNLM-QXAKKESOSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001307952819 1111359032 /nfs/dbraw/zinc/35/90/32/1111359032.db2.gz YHLSCHWLQUQNLM-QXAKKESOSA-N 2 1 304.478 3.132 20 0 DGADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001307952819 1111359037 /nfs/dbraw/zinc/35/90/37/1111359037.db2.gz YHLSCHWLQUQNLM-QXAKKESOSA-N 2 1 304.478 3.132 20 0 DGADMP COCC[N@H+](Cc1ccc(C)cc1C)CC1CC[NH+](C)CC1 ZINC001307989566 1111363876 /nfs/dbraw/zinc/36/38/76/1111363876.db2.gz SWLQGLAJVGJENZ-UHFFFAOYSA-N 2 1 304.478 3.094 20 0 DGADMP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC001308202396 1111396195 /nfs/dbraw/zinc/39/61/95/1111396195.db2.gz KTJPSPJAVFSDQR-BRWVUGGUSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC001308202396 1111396200 /nfs/dbraw/zinc/39/62/00/1111396200.db2.gz KTJPSPJAVFSDQR-BRWVUGGUSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC001308204661 1111397635 /nfs/dbraw/zinc/39/76/35/1111397635.db2.gz XHHUJUKVPNMQIX-IAGOWNOFSA-N 2 1 318.509 3.141 20 0 DGADMP CC(C)(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC001308250221 1111404479 /nfs/dbraw/zinc/40/44/79/1111404479.db2.gz BBMIBWHRQWTXBA-UHFFFAOYSA-N 2 1 316.489 3.199 20 0 DGADMP CC[C@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001308254544 1111405109 /nfs/dbraw/zinc/40/51/09/1111405109.db2.gz UAMBTFIZIAWOBO-HKUYNNGSSA-N 2 1 309.542 3.209 20 0 DGADMP CCC[C@@H](C[NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001308274171 1111409081 /nfs/dbraw/zinc/40/90/81/1111409081.db2.gz FELNYSUOEXDKCF-SFHVURJKSA-N 2 1 304.478 3.271 20 0 DGADMP CC(C)[NH+](CCC[NH2+]Cc1cc(F)ccc1N(C)C)C(C)C ZINC001308299542 1111413015 /nfs/dbraw/zinc/41/30/15/1111413015.db2.gz CJJWTCWEUQZGSF-UHFFFAOYSA-N 2 1 309.473 3.490 20 0 DGADMP Clc1cc2c(c(C[NH2+]Cc3ccc4c[nH+]cn4c3)c1)OCC2 ZINC001308431859 1111428034 /nfs/dbraw/zinc/42/80/34/1111428034.db2.gz ZUWNFVJYLDYJQQ-UHFFFAOYSA-N 2 1 313.788 3.212 20 0 DGADMP CO[C@@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001308589586 1111448607 /nfs/dbraw/zinc/44/86/07/1111448607.db2.gz HMEMGZDLMGIMKA-MJGOQNOKSA-N 2 1 308.510 3.245 20 0 DGADMP CC[C@@H](C)[C@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC001308731697 1111466493 /nfs/dbraw/zinc/46/64/93/1111466493.db2.gz MGMAUUQDHBIGAI-KDOFPFPSSA-N 2 1 306.450 3.294 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001308736900 1111467701 /nfs/dbraw/zinc/46/77/01/1111467701.db2.gz ALTGRBMURGIVFM-UHFFFAOYSA-N 3 1 309.542 3.209 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC001308741343 1111468100 /nfs/dbraw/zinc/46/81/00/1111468100.db2.gz QZYNUDAGSDMRIG-IXDOHACOSA-N 2 1 308.510 3.433 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CCCC[C@H]1C ZINC001308739855 1111468229 /nfs/dbraw/zinc/46/82/29/1111468229.db2.gz GOQPDNZTNSOBIH-GUDVDZBRSA-N 2 1 309.542 3.161 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2CCC[N@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794068 1111475613 /nfs/dbraw/zinc/47/56/13/1111475613.db2.gz UGSPOADUPHWWHW-UXHICEINSA-N 2 1 317.521 3.316 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC001308794068 1111475617 /nfs/dbraw/zinc/47/56/17/1111475617.db2.gz UGSPOADUPHWWHW-UXHICEINSA-N 2 1 317.521 3.316 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C(C)(C)C[NH+]2CCCC2)cc1F ZINC001308826319 1111480388 /nfs/dbraw/zinc/48/03/88/1111480388.db2.gz UUQUIPDBBTVXGB-HNNXBMFYSA-N 2 1 322.468 3.477 20 0 DGADMP CCOC(=O)[C@@H]([NH2+]CC1CC[NH+](CC)CC1)C1CCCCCC1 ZINC001308841232 1111483019 /nfs/dbraw/zinc/48/30/19/1111483019.db2.gz SSGFJRLZYMKMBO-SFHVURJKSA-N 2 1 324.509 3.210 20 0 DGADMP COc1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccc1C ZINC001308914089 1111492949 /nfs/dbraw/zinc/49/29/49/1111492949.db2.gz KVKILSDMASYJJI-UHFFFAOYSA-N 2 1 305.466 3.097 20 0 DGADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1)C[NH+](C)C ZINC001308936296 1111496388 /nfs/dbraw/zinc/49/63/88/1111496388.db2.gz VDLLXDCVEOLSLX-QRVBRYPASA-N 2 1 304.478 3.187 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000278295128 214073793 /nfs/dbraw/zinc/07/37/93/214073793.db2.gz BQFPULURWUGBTI-INIZCTEOSA-N 2 1 308.441 3.434 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000278295128 214073796 /nfs/dbraw/zinc/07/37/96/214073796.db2.gz BQFPULURWUGBTI-INIZCTEOSA-N 2 1 308.441 3.434 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338198 214098789 /nfs/dbraw/zinc/09/87/89/214098789.db2.gz AETQRYUMBKQMMU-KGLIPLIRSA-N 2 1 312.404 3.116 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000278338198 214098793 /nfs/dbraw/zinc/09/87/93/214098793.db2.gz AETQRYUMBKQMMU-KGLIPLIRSA-N 2 1 312.404 3.116 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275732 282121973 /nfs/dbraw/zinc/12/19/73/282121973.db2.gz YPHZFYLRBIZUER-FQEVSTJZSA-N 3 1 315.505 3.056 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275732 282121974 /nfs/dbraw/zinc/12/19/74/282121974.db2.gz YPHZFYLRBIZUER-FQEVSTJZSA-N 3 1 315.505 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000278511258 214201393 /nfs/dbraw/zinc/20/13/93/214201393.db2.gz OXOFTBIGUGGOEU-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000278511258 214201396 /nfs/dbraw/zinc/20/13/96/214201396.db2.gz OXOFTBIGUGGOEU-BPQIPLTHSA-N 2 1 304.503 3.382 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2ccncc2)CC1 ZINC000103143158 432003467 /nfs/dbraw/zinc/00/34/67/432003467.db2.gz UTVAOBMLVOCEGQ-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP CC(C)OCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143098 432003815 /nfs/dbraw/zinc/00/38/15/432003815.db2.gz KUOZBDQSFYORTQ-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742832 231105332 /nfs/dbraw/zinc/10/53/32/231105332.db2.gz WOIRKRZEOZYPEY-ATLSCFEFSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000278770450 214389200 /nfs/dbraw/zinc/38/92/00/214389200.db2.gz XVIDJGBECNOSAI-APWZRJJASA-N 2 1 302.462 3.073 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431098384 529424280 /nfs/dbraw/zinc/42/42/80/529424280.db2.gz CXCPNYSSCCURFB-OAHLLOKOSA-N 2 1 316.449 3.025 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441449014 529543712 /nfs/dbraw/zinc/54/37/12/529543712.db2.gz MMTNPWTUZDWDML-IBGZPJMESA-N 2 1 316.489 3.436 20 0 DGADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441449014 529543716 /nfs/dbraw/zinc/54/37/16/529543716.db2.gz MMTNPWTUZDWDML-IBGZPJMESA-N 2 1 316.489 3.436 20 0 DGADMP CCc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000302036531 529557876 /nfs/dbraw/zinc/55/78/76/529557876.db2.gz FUNCDBOLAZOKRU-MRXNPFEDSA-N 2 1 302.397 3.201 20 0 DGADMP CCn1ccnc1C[N@@H+](CC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433840 529567804 /nfs/dbraw/zinc/56/78/04/529567804.db2.gz PHIYHRROACZRAP-QGZVFWFLSA-N 2 1 316.493 3.037 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000423456185 529568087 /nfs/dbraw/zinc/56/80/87/529568087.db2.gz DJOANZOFUWYJMX-OLZOCXBDSA-N 2 1 303.219 3.366 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000295025248 529663520 /nfs/dbraw/zinc/66/35/20/529663520.db2.gz NZQNVEZXXKZWBW-OKYOBFRVSA-N 2 1 316.489 3.321 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000090116865 185283112 /nfs/dbraw/zinc/28/31/12/185283112.db2.gz IAHJWZHNNCSSAQ-HLPPOEQASA-N 2 1 310.869 3.426 20 0 DGADMP CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000166799438 197698681 /nfs/dbraw/zinc/69/86/81/197698681.db2.gz ADNLPKXBWJQDJM-ZBFHGGJFSA-N 2 1 301.434 3.240 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415052190 282244396 /nfs/dbraw/zinc/24/43/96/282244396.db2.gz MRQKFDXTPYPKCF-YLJYHZDGSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)s1 ZINC000092664904 185332437 /nfs/dbraw/zinc/33/24/37/185332437.db2.gz QLAJUEQWNGLFBV-HZPDHXFCSA-N 2 1 321.534 3.047 20 0 DGADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168334344 197720747 /nfs/dbraw/zinc/72/07/47/197720747.db2.gz LIYZOUMKAXHPDA-LJQANCHMSA-N 2 1 318.505 3.344 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426637 529721374 /nfs/dbraw/zinc/72/13/74/529721374.db2.gz SYACRXBDFYFISL-IRXDYDNUSA-N 2 1 304.478 3.401 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000415140294 529964508 /nfs/dbraw/zinc/96/45/08/529964508.db2.gz YNPNSZYFWNTVGM-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000415140294 529964510 /nfs/dbraw/zinc/96/45/10/529964510.db2.gz YNPNSZYFWNTVGM-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000430628215 530001598 /nfs/dbraw/zinc/00/15/98/530001598.db2.gz OMIDJDKLBUGCAO-QGZVFWFLSA-N 2 1 302.462 3.246 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000430628215 530001599 /nfs/dbraw/zinc/00/15/99/530001599.db2.gz OMIDJDKLBUGCAO-QGZVFWFLSA-N 2 1 302.462 3.246 20 0 DGADMP C[N@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435614618 530003882 /nfs/dbraw/zinc/00/38/82/530003882.db2.gz GGKMYJOYOVPFLO-KRWDZBQOSA-N 2 1 311.429 3.448 20 0 DGADMP C[N@@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435614618 530003883 /nfs/dbraw/zinc/00/38/83/530003883.db2.gz GGKMYJOYOVPFLO-KRWDZBQOSA-N 2 1 311.429 3.448 20 0 DGADMP C[N@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435445074 530015491 /nfs/dbraw/zinc/01/54/91/530015491.db2.gz CJALDEMOSVXHAC-HNNXBMFYSA-N 2 1 301.459 3.384 20 0 DGADMP C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435445074 530015493 /nfs/dbraw/zinc/01/54/93/530015493.db2.gz CJALDEMOSVXHAC-HNNXBMFYSA-N 2 1 301.459 3.384 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000181941648 199366336 /nfs/dbraw/zinc/36/63/36/199366336.db2.gz NFMSAUJRQPXWHP-DYVFJYSZSA-N 2 1 304.409 3.113 20 0 DGADMP COc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000104101129 432014765 /nfs/dbraw/zinc/01/47/65/432014765.db2.gz HWHXEMZAPFUBEY-HNNXBMFYSA-N 2 1 308.491 3.191 20 0 DGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1SC ZINC000104101129 432014774 /nfs/dbraw/zinc/01/47/74/432014774.db2.gz HWHXEMZAPFUBEY-HNNXBMFYSA-N 2 1 308.491 3.191 20 0 DGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000104101129 432014775 /nfs/dbraw/zinc/01/47/75/432014775.db2.gz HWHXEMZAPFUBEY-HNNXBMFYSA-N 2 1 308.491 3.191 20 0 DGADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423304534 282523030 /nfs/dbraw/zinc/52/30/30/282523030.db2.gz OLOJFYZYNAYVBZ-LBPRGKRZSA-N 2 1 301.217 3.016 20 0 DGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000279726650 215094406 /nfs/dbraw/zinc/09/44/06/215094406.db2.gz MXYXYGRTDUICKE-MAUKXSAKSA-N 2 1 301.434 3.338 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000272614995 210017184 /nfs/dbraw/zinc/01/71/84/210017184.db2.gz WZTUJMADNKOOEI-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000286959194 219244343 /nfs/dbraw/zinc/24/43/43/219244343.db2.gz BYFRNMXZEJLYPW-DOMZBBRYSA-N 2 1 312.404 3.195 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000130281253 432020705 /nfs/dbraw/zinc/02/07/05/432020705.db2.gz ZGDAPJCOLVAULB-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP CCCOc1ccc2c(c1)CC[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000130281253 432020707 /nfs/dbraw/zinc/02/07/07/432020707.db2.gz ZGDAPJCOLVAULB-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP CCCOc1ccc2c(c1)CC[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000130281253 432020710 /nfs/dbraw/zinc/02/07/10/432020710.db2.gz ZGDAPJCOLVAULB-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000130281253 432020703 /nfs/dbraw/zinc/02/07/03/432020703.db2.gz ZGDAPJCOLVAULB-GOSISDBHSA-N 2 1 302.462 3.318 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279866084 215191719 /nfs/dbraw/zinc/19/17/19/215191719.db2.gz JEVQUWPKXLOWIJ-OWCLPIDISA-N 2 1 320.477 3.127 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000279927992 215244427 /nfs/dbraw/zinc/24/44/27/215244427.db2.gz MXSHSINNTSRZKS-HNNXBMFYSA-N 2 1 323.444 3.112 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000138400449 186016258 /nfs/dbraw/zinc/01/62/58/186016258.db2.gz RJSLLUWBDUJPDQ-HNNXBMFYSA-N 2 1 322.412 3.036 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000164362846 186157402 /nfs/dbraw/zinc/15/74/02/186157402.db2.gz XHJTUPCGILOLKN-ARFHVFGLSA-N 2 1 321.896 3.381 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000164362846 186157403 /nfs/dbraw/zinc/15/74/03/186157403.db2.gz XHJTUPCGILOLKN-ARFHVFGLSA-N 2 1 321.896 3.381 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189972078 186257540 /nfs/dbraw/zinc/25/75/40/186257540.db2.gz FUBKHVYQEXQGQF-MOPGFXCFSA-N 2 1 318.505 3.285 20 0 DGADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268740394 186373990 /nfs/dbraw/zinc/37/39/90/186373990.db2.gz RQXYZUPTJIUQSC-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000268746129 186376024 /nfs/dbraw/zinc/37/60/24/186376024.db2.gz VCPIJPRACVNZGF-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268746129 186376026 /nfs/dbraw/zinc/37/60/26/186376026.db2.gz VCPIJPRACVNZGF-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268746129 186376028 /nfs/dbraw/zinc/37/60/28/186376028.db2.gz VCPIJPRACVNZGF-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756450 186380354 /nfs/dbraw/zinc/38/03/54/186380354.db2.gz XSEPQYLUYBNFTO-MJGOQNOKSA-N 2 1 317.521 3.217 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280086808 215366773 /nfs/dbraw/zinc/36/67/73/215366773.db2.gz MBVDNYGMGFHDNG-LLVKDONJSA-N 2 1 323.238 3.090 20 0 DGADMP Cc1nccn1CCC[N@H+](C)CCOc1cc(C)ccc1C ZINC000130556945 432027554 /nfs/dbraw/zinc/02/75/54/432027554.db2.gz CWEVLKUGQCHZSN-UHFFFAOYSA-N 2 1 301.434 3.209 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cc(C)ccc1C ZINC000130556945 432027556 /nfs/dbraw/zinc/02/75/56/432027556.db2.gz CWEVLKUGQCHZSN-UHFFFAOYSA-N 2 1 301.434 3.209 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cc(C)ccc1C ZINC000130556945 432027558 /nfs/dbraw/zinc/02/75/58/432027558.db2.gz CWEVLKUGQCHZSN-UHFFFAOYSA-N 2 1 301.434 3.209 20 0 DGADMP C[N@H+](CCCO)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000172305357 198075973 /nfs/dbraw/zinc/07/59/73/198075973.db2.gz OAIRNNFCIUFDQO-UHFFFAOYSA-N 2 1 312.457 3.118 20 0 DGADMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000172305357 198075974 /nfs/dbraw/zinc/07/59/74/198075974.db2.gz OAIRNNFCIUFDQO-UHFFFAOYSA-N 2 1 312.457 3.118 20 0 DGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000331715370 234034970 /nfs/dbraw/zinc/03/49/70/234034970.db2.gz NMCZAICOUZRJJT-PBHICJAKSA-N 2 1 319.424 3.040 20 0 DGADMP Cc1cccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH+]1 ZINC000277154099 213331297 /nfs/dbraw/zinc/33/12/97/213331297.db2.gz LDHHGOPMYZLLNA-SFHVURJKSA-N 2 1 311.429 3.093 20 0 DGADMP Cc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[nH+]1 ZINC000277154099 213331300 /nfs/dbraw/zinc/33/13/00/213331300.db2.gz LDHHGOPMYZLLNA-SFHVURJKSA-N 2 1 311.429 3.093 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C)CC1 ZINC000173366903 198207570 /nfs/dbraw/zinc/20/75/70/198207570.db2.gz FZWLDCYHELGKFV-UHFFFAOYSA-N 2 1 317.477 3.130 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000107371950 432030862 /nfs/dbraw/zinc/03/08/62/432030862.db2.gz VGOBUSQJRGGYRB-HXUWFJFHSA-N 2 1 315.505 3.022 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000107369771 432031142 /nfs/dbraw/zinc/03/11/42/432031142.db2.gz HOAUJOXPSFQADT-FQEVSTJZSA-N 2 1 323.484 3.052 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)[C@H](C)C1 ZINC000131692357 432035890 /nfs/dbraw/zinc/03/58/90/432035890.db2.gz JVGQLPXZENKNFX-APWZRJJASA-N 2 1 322.468 3.095 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000276990693 213223043 /nfs/dbraw/zinc/22/30/43/213223043.db2.gz ZXDXCGXWEGTYFW-LJQANCHMSA-N 2 1 304.478 3.164 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000164569747 432049158 /nfs/dbraw/zinc/04/91/58/432049158.db2.gz GMIDIGWOKKFRMS-YJBOKZPZSA-N 2 1 315.461 3.142 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCCOCCc2ccccc2)CC[N@H+]1C ZINC000165229666 432054261 /nfs/dbraw/zinc/05/42/61/432054261.db2.gz UDQVOGVKOUUDNI-IEBWSBKVSA-N 2 1 304.478 3.098 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000165449182 432055380 /nfs/dbraw/zinc/05/53/80/432055380.db2.gz SYRABXKOXXYQKJ-GOSISDBHSA-N 2 1 319.493 3.422 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000165449182 432055378 /nfs/dbraw/zinc/05/53/78/432055378.db2.gz SYRABXKOXXYQKJ-GOSISDBHSA-N 2 1 319.493 3.422 20 0 DGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)CC(C)C ZINC000132922464 432055617 /nfs/dbraw/zinc/05/56/17/432055617.db2.gz HTMNZWBIPKGVKW-MRXNPFEDSA-N 2 1 319.484 3.062 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)CC(C)C ZINC000132922194 432055672 /nfs/dbraw/zinc/05/56/72/432055672.db2.gz HTMNZWBIPKGVKW-INIZCTEOSA-N 2 1 319.484 3.062 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304151 432055923 /nfs/dbraw/zinc/05/59/23/432055923.db2.gz MSRIJWOXGOXTDH-RDJZCZTQSA-N 2 1 315.486 3.358 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncs1 ZINC000165304151 432055925 /nfs/dbraw/zinc/05/59/25/432055925.db2.gz MSRIJWOXGOXTDH-RDJZCZTQSA-N 2 1 315.486 3.358 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000165449329 432055982 /nfs/dbraw/zinc/05/59/82/432055982.db2.gz SYRABXKOXXYQKJ-SFHVURJKSA-N 2 1 319.493 3.422 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000165449329 432055985 /nfs/dbraw/zinc/05/59/85/432055985.db2.gz SYRABXKOXXYQKJ-SFHVURJKSA-N 2 1 319.493 3.422 20 0 DGADMP CCC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179467126 432059494 /nfs/dbraw/zinc/05/94/94/432059494.db2.gz JNJMMIPSTMKUJR-FGTMMUONSA-N 2 1 319.493 3.402 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236906492 202063741 /nfs/dbraw/zinc/06/37/41/202063741.db2.gz ZPFSCZXYMQDDKD-RVKKMQEKSA-N 2 1 317.477 3.230 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000237059025 202137383 /nfs/dbraw/zinc/13/73/83/202137383.db2.gz GKDOHUREJOGPDF-UHFFFAOYSA-N 2 1 323.234 3.394 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000177836554 198786205 /nfs/dbraw/zinc/78/62/05/198786205.db2.gz UEDKREWYMJBOOK-OYHNWAKOSA-N 2 1 322.518 3.195 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000276884581 213155270 /nfs/dbraw/zinc/15/52/70/213155270.db2.gz LIGODEBYNLKQQN-WDSOQIARSA-N 2 1 318.505 3.425 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000276884581 213155273 /nfs/dbraw/zinc/15/52/73/213155273.db2.gz LIGODEBYNLKQQN-WDSOQIARSA-N 2 1 318.505 3.425 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc2ccccc12 ZINC000168611820 432069694 /nfs/dbraw/zinc/06/96/94/432069694.db2.gz UUPNFBQOPKAPHE-CHWSQXEVSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc2ccccc12 ZINC000168611820 432069697 /nfs/dbraw/zinc/06/96/97/432069697.db2.gz UUPNFBQOPKAPHE-CHWSQXEVSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000168611954 432070166 /nfs/dbraw/zinc/07/01/66/432070166.db2.gz BLAUIOATQFWDMV-YDHLFZDLSA-N 2 1 312.404 3.415 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000168611954 432070169 /nfs/dbraw/zinc/07/01/69/432070169.db2.gz BLAUIOATQFWDMV-YDHLFZDLSA-N 2 1 312.404 3.415 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000134166657 432075159 /nfs/dbraw/zinc/07/51/59/432075159.db2.gz BCCWVQIXDNIWQZ-VQHPVUNQSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000134166657 432075160 /nfs/dbraw/zinc/07/51/60/432075160.db2.gz BCCWVQIXDNIWQZ-VQHPVUNQSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000134166657 432075161 /nfs/dbraw/zinc/07/51/61/432075161.db2.gz BCCWVQIXDNIWQZ-VQHPVUNQSA-N 2 1 321.534 3.203 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1F ZINC000180403100 199154278 /nfs/dbraw/zinc/15/42/78/199154278.db2.gz LTPHEKAMMDAUBE-GOSISDBHSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180421945 199156206 /nfs/dbraw/zinc/15/62/06/199156206.db2.gz HWXWSWOAGJCMCE-ZMSDIMECSA-N 2 1 317.477 3.244 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000180421945 199156207 /nfs/dbraw/zinc/15/62/07/199156207.db2.gz HWXWSWOAGJCMCE-ZMSDIMECSA-N 2 1 317.477 3.244 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414857379 236913094 /nfs/dbraw/zinc/91/30/94/236913094.db2.gz PIJOQTGPYPNCLN-ZFWWWQNUSA-N 2 1 318.852 3.003 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414933020 236965097 /nfs/dbraw/zinc/96/50/97/236965097.db2.gz RPPRLHQWRHCYQV-JMSVASOKSA-N 2 1 300.368 3.224 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)C1CCCC1 ZINC000415032378 237020117 /nfs/dbraw/zinc/02/01/17/237020117.db2.gz AGTXOHOKSFJYDK-AWEZNQCLSA-N 2 1 315.230 3.195 20 0 DGADMP Clc1ccc(OCC2CC2)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415070815 237051105 /nfs/dbraw/zinc/05/11/05/237051105.db2.gz RGXNRXQRACUONS-UHFFFAOYSA-N 2 1 308.853 3.361 20 0 DGADMP C[C@]1(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)CC[NH2+]C1 ZINC000415076921 237060677 /nfs/dbraw/zinc/06/06/77/237060677.db2.gz GZJBYFIQBPNQSW-SFHVURJKSA-N 2 1 315.392 3.102 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000415127960 237101309 /nfs/dbraw/zinc/10/13/09/237101309.db2.gz NQGVUEWAPSNWMY-GXTWGEPZSA-N 2 1 318.852 3.147 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C[NH3+] ZINC000415138164 237107748 /nfs/dbraw/zinc/10/77/48/237107748.db2.gz YLPHOCVPHSMETG-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP c1ccc(C[NH+]2CCCCCC2)c(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000415112061 237087346 /nfs/dbraw/zinc/08/73/46/237087346.db2.gz CRSMPEFEGKGVPR-GOSISDBHSA-N 2 1 315.505 3.152 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccccc2Cl)c2ccccc21 ZINC000423002810 237816979 /nfs/dbraw/zinc/81/69/79/237816979.db2.gz JVSFJWYSNXDRIB-CVEARBPZSA-N 2 1 302.805 3.453 20 0 DGADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423117991 237825551 /nfs/dbraw/zinc/82/55/51/237825551.db2.gz YAGDWDQYNXXIIM-LVQVYYBASA-N 2 1 310.388 3.230 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281151428 216112892 /nfs/dbraw/zinc/11/28/92/216112892.db2.gz GOCUWBHZGJODRX-SJLPKXTDSA-N 2 1 301.478 3.490 20 0 DGADMP COC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423527472 237857240 /nfs/dbraw/zinc/85/72/40/237857240.db2.gz MOIVPHDCBWBWQQ-HNNXBMFYSA-N 2 1 316.367 3.125 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033402 238007213 /nfs/dbraw/zinc/00/72/13/238007213.db2.gz MNZVUTQBUIXWNC-HKUYNNGSSA-N 2 1 310.441 3.293 20 0 DGADMP FC1(F)CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000429447853 238051884 /nfs/dbraw/zinc/05/18/84/238051884.db2.gz KJWBPLINRBSLKJ-HYVNUMGLSA-N 2 1 306.400 3.284 20 0 DGADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000430569788 238080271 /nfs/dbraw/zinc/08/02/71/238080271.db2.gz FTXKYELXBBIXDR-FQEVSTJZSA-N 2 1 310.441 3.483 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1Cc1ccccc1 ZINC000430811979 238087069 /nfs/dbraw/zinc/08/70/69/238087069.db2.gz STIRUYQPKSALKR-FUHWJXTLSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@H+]1Cc1ccccc1 ZINC000430811979 238087070 /nfs/dbraw/zinc/08/70/70/238087070.db2.gz STIRUYQPKSALKR-FUHWJXTLSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811979 238087072 /nfs/dbraw/zinc/08/70/72/238087072.db2.gz STIRUYQPKSALKR-FUHWJXTLSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811979 238087073 /nfs/dbraw/zinc/08/70/73/238087073.db2.gz STIRUYQPKSALKR-FUHWJXTLSA-N 2 1 302.462 3.008 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC34CCOCC4)CC2)cc1 ZINC000431679930 238108656 /nfs/dbraw/zinc/10/86/56/238108656.db2.gz FMKSBMUXKDOWNZ-GOSISDBHSA-N 2 1 314.473 3.057 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432417392 238128297 /nfs/dbraw/zinc/12/82/97/238128297.db2.gz VKIUCOPCSZPPEP-IAGOWNOFSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432417392 238128298 /nfs/dbraw/zinc/12/82/98/238128298.db2.gz VKIUCOPCSZPPEP-IAGOWNOFSA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432430621 238128614 /nfs/dbraw/zinc/12/86/14/238128614.db2.gz TUVLVARDECFUHY-WLYUNCDWSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432430621 238128615 /nfs/dbraw/zinc/12/86/15/238128615.db2.gz TUVLVARDECFUHY-WLYUNCDWSA-N 2 1 322.415 3.198 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000432812550 238136973 /nfs/dbraw/zinc/13/69/73/238136973.db2.gz IQBVGTIGTZOTBS-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000432812550 238136975 /nfs/dbraw/zinc/13/69/75/238136975.db2.gz IQBVGTIGTZOTBS-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423008888 296020707 /nfs/dbraw/zinc/02/07/07/296020707.db2.gz URHLWUCLSLOPED-HZPDHXFCSA-N 3 1 315.461 3.127 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423008888 296020708 /nfs/dbraw/zinc/02/07/08/296020708.db2.gz URHLWUCLSLOPED-HZPDHXFCSA-N 2 1 315.461 3.127 20 0 DGADMP COCCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694984 238338227 /nfs/dbraw/zinc/33/82/27/238338227.db2.gz MUXOXVAXXRHPDX-MRXNPFEDSA-N 2 1 308.491 3.119 20 0 DGADMP c1cc(C[N@H+](CCOCC2CC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697206 238339075 /nfs/dbraw/zinc/33/90/75/238339075.db2.gz XIGIOVCOKBSWFG-QGZVFWFLSA-N 2 1 320.502 3.119 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292708892 223211511 /nfs/dbraw/zinc/21/15/11/223211511.db2.gz DALSNMCXEATSHI-FQEVSTJZSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292708892 223211513 /nfs/dbraw/zinc/21/15/13/223211513.db2.gz DALSNMCXEATSHI-FQEVSTJZSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292708892 223211515 /nfs/dbraw/zinc/21/15/15/223211515.db2.gz DALSNMCXEATSHI-FQEVSTJZSA-N 2 1 324.472 3.017 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292708892 223211516 /nfs/dbraw/zinc/21/15/16/223211516.db2.gz DALSNMCXEATSHI-FQEVSTJZSA-N 2 1 324.472 3.017 20 0 DGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000193300834 201024534 /nfs/dbraw/zinc/02/45/34/201024534.db2.gz HTNYAPMGIQTRHJ-CQSZACIVSA-N 2 1 314.433 3.121 20 0 DGADMP CO[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193337572 201033763 /nfs/dbraw/zinc/03/37/63/201033763.db2.gz ZAHWOGQPEXNPIF-KDEOWCQBSA-N 2 1 302.462 3.195 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000271874965 209286920 /nfs/dbraw/zinc/28/69/20/209286920.db2.gz YZOLNZYOXGWGJE-UHFFFAOYSA-N 2 1 316.836 3.082 20 0 DGADMP COC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000193667173 201100262 /nfs/dbraw/zinc/10/02/62/201100262.db2.gz IPPYZQUKIZYGFM-SUMWQHHRSA-N 2 1 321.852 3.458 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441322760 239035582 /nfs/dbraw/zinc/03/55/82/239035582.db2.gz HQLDDUNMHUMEMU-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441322760 239035591 /nfs/dbraw/zinc/03/55/91/239035591.db2.gz HQLDDUNMHUMEMU-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc(C)c(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441322760 239035599 /nfs/dbraw/zinc/03/55/99/239035599.db2.gz HQLDDUNMHUMEMU-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1ccc(C)c(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441322760 239035604 /nfs/dbraw/zinc/03/56/04/239035604.db2.gz HQLDDUNMHUMEMU-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441439708 239052698 /nfs/dbraw/zinc/05/26/98/239052698.db2.gz WFOPOMXMHGBQOW-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441439708 239052702 /nfs/dbraw/zinc/05/27/02/239052702.db2.gz WFOPOMXMHGBQOW-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc(C)c1F ZINC000442861264 239138406 /nfs/dbraw/zinc/13/84/06/239138406.db2.gz DDNZFWQTQSVYIO-MRXNPFEDSA-N 2 1 321.484 3.119 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000443217116 239186002 /nfs/dbraw/zinc/18/60/02/239186002.db2.gz QUMYJPUEMDIMDG-LJCCNALRSA-N 2 1 315.505 3.201 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000443217116 239186005 /nfs/dbraw/zinc/18/60/05/239186005.db2.gz QUMYJPUEMDIMDG-LJCCNALRSA-N 2 1 315.505 3.201 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271827307 209247666 /nfs/dbraw/zinc/24/76/66/209247666.db2.gz DHOIGZIFYACDRG-ZDUSSCGKSA-N 2 1 312.379 3.488 20 0 DGADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc21 ZINC000271813004 209237051 /nfs/dbraw/zinc/23/70/51/209237051.db2.gz JOZKNLIDMWRRSH-LPHOPBHVSA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000271813004 209237056 /nfs/dbraw/zinc/23/70/56/209237056.db2.gz JOZKNLIDMWRRSH-LPHOPBHVSA-N 2 1 324.472 3.022 20 0 DGADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000271813004 209237057 /nfs/dbraw/zinc/23/70/57/209237057.db2.gz JOZKNLIDMWRRSH-LPHOPBHVSA-N 2 1 324.472 3.022 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449095418 240015310 /nfs/dbraw/zinc/01/53/10/240015310.db2.gz YIXOWGBXGUTMHF-BBWFWOEESA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCC[C@H]1C ZINC000449131221 240031030 /nfs/dbraw/zinc/03/10/30/240031030.db2.gz KXYHIUZNJUHZKJ-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449147338 240039401 /nfs/dbraw/zinc/03/94/01/240039401.db2.gz GDXIFMJVLDSXIO-MSOLQXFVSA-N 2 1 308.510 3.316 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275405326 212313941 /nfs/dbraw/zinc/31/39/41/212313941.db2.gz CTLRKCOABNYTJC-UKRRQHHQSA-N 2 1 303.837 3.320 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783924 240421736 /nfs/dbraw/zinc/42/17/36/240421736.db2.gz SRCPBMDRXOXHLT-OAHLLOKOSA-N 2 1 314.477 3.348 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783924 240421742 /nfs/dbraw/zinc/42/17/42/240421742.db2.gz SRCPBMDRXOXHLT-OAHLLOKOSA-N 2 1 314.477 3.348 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000092001072 193139152 /nfs/dbraw/zinc/13/91/52/193139152.db2.gz CPBJQPLHYCSQDF-HUUCEWRRSA-N 2 1 323.278 3.474 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)CC[C@@H]21 ZINC000092043185 193146208 /nfs/dbraw/zinc/14/62/08/193146208.db2.gz IMWRMJWZYGYHEO-WBVHZDCISA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CC[C@@H]21 ZINC000092043185 193146210 /nfs/dbraw/zinc/14/62/10/193146210.db2.gz IMWRMJWZYGYHEO-WBVHZDCISA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CC[C@@H]21 ZINC000092043185 193146212 /nfs/dbraw/zinc/14/62/12/193146212.db2.gz IMWRMJWZYGYHEO-WBVHZDCISA-N 2 1 324.415 3.247 20 0 DGADMP COc1ccc2oc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2c1 ZINC000092253976 193180553 /nfs/dbraw/zinc/18/05/53/193180553.db2.gz OJGBUCKUWVFUDS-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2c1 ZINC000092253976 193180555 /nfs/dbraw/zinc/18/05/55/193180555.db2.gz OJGBUCKUWVFUDS-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP COc1ccc2oc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc2c1 ZINC000092253976 193180556 /nfs/dbraw/zinc/18/05/56/193180556.db2.gz OJGBUCKUWVFUDS-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP COc1ccc2oc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc2c1 ZINC000092253976 193180558 /nfs/dbraw/zinc/18/05/58/193180558.db2.gz OJGBUCKUWVFUDS-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(C)C ZINC000092253438 193180279 /nfs/dbraw/zinc/18/02/79/193180279.db2.gz DQUQORPVXJVMQC-KRWDZBQOSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(C)C ZINC000092253438 193180280 /nfs/dbraw/zinc/18/02/80/193180280.db2.gz DQUQORPVXJVMQC-KRWDZBQOSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC(C)C ZINC000092253438 193180281 /nfs/dbraw/zinc/18/02/81/193180281.db2.gz DQUQORPVXJVMQC-KRWDZBQOSA-N 2 1 320.477 3.256 20 0 DGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC(C)C ZINC000092253438 193180282 /nfs/dbraw/zinc/18/02/82/193180282.db2.gz DQUQORPVXJVMQC-KRWDZBQOSA-N 2 1 320.477 3.256 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000459399558 243359177 /nfs/dbraw/zinc/35/91/77/243359177.db2.gz VHQKJNXIJBSJOE-UHFFFAOYSA-N 2 1 324.472 3.484 20 0 DGADMP CCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423412 243363424 /nfs/dbraw/zinc/36/34/24/243363424.db2.gz JPQJJGWBKUJFDL-WCQYABFASA-N 2 1 312.841 3.017 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423412 243363426 /nfs/dbraw/zinc/36/34/26/243363426.db2.gz JPQJJGWBKUJFDL-WCQYABFASA-N 2 1 312.841 3.017 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1Cl ZINC000459424351 243365745 /nfs/dbraw/zinc/36/57/45/243365745.db2.gz QIHTZUOSWCUWHV-ZDUSSCGKSA-N 2 1 308.853 3.324 20 0 DGADMP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459437381 243370871 /nfs/dbraw/zinc/37/08/71/243370871.db2.gz YTGHRXUWBNQUBJ-HKUYNNGSSA-N 2 1 313.445 3.251 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000469866858 244130132 /nfs/dbraw/zinc/13/01/32/244130132.db2.gz OUWGMMIUUNSDOG-WMZOPIPTSA-N 2 1 310.441 3.435 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c1 ZINC000469721360 244118367 /nfs/dbraw/zinc/11/83/67/244118367.db2.gz PVSRRZLDWCKJJW-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H]1CCc2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)sc2C1 ZINC000093088975 193202504 /nfs/dbraw/zinc/20/25/04/193202504.db2.gz JQRIJPDBEGAXQS-ZDUSSCGKSA-N 2 1 307.507 3.042 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000470181509 244155311 /nfs/dbraw/zinc/15/53/11/244155311.db2.gz DGVGWHIFDUQZKU-NVXWUHKLSA-N 2 1 322.468 3.334 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000471836062 244256159 /nfs/dbraw/zinc/25/61/59/244256159.db2.gz IFQPMFRDKLTMKF-VQTJNVASSA-N 2 1 309.457 3.254 20 0 DGADMP COCCCCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471839955 244256617 /nfs/dbraw/zinc/25/66/17/244256617.db2.gz QSUFUSRCCZKLIM-PMACEKPBSA-N 2 1 318.505 3.475 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000471867011 244261640 /nfs/dbraw/zinc/26/16/40/244261640.db2.gz YWXBCZWAAAYSDZ-RTWAWAEBSA-N 2 1 323.484 3.296 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000472357054 244302425 /nfs/dbraw/zinc/30/24/25/244302425.db2.gz XTONDTDIUWKPLV-AEFFLSMTSA-N 2 1 315.486 3.315 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000472350408 244302772 /nfs/dbraw/zinc/30/27/72/244302772.db2.gz QFFUZTGMXWKACH-PMACEKPBSA-N 2 1 309.457 3.254 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000093318510 193232519 /nfs/dbraw/zinc/23/25/19/193232519.db2.gz BXVVUKDQHVEZAH-FXAWDEMLSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000093318510 193232521 /nfs/dbraw/zinc/23/25/21/193232521.db2.gz BXVVUKDQHVEZAH-FXAWDEMLSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318510 193232523 /nfs/dbraw/zinc/23/25/23/193232523.db2.gz BXVVUKDQHVEZAH-FXAWDEMLSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1Cc1ccccc1 ZINC000093318510 193232524 /nfs/dbraw/zinc/23/25/24/193232524.db2.gz BXVVUKDQHVEZAH-FXAWDEMLSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010751 212072771 /nfs/dbraw/zinc/07/27/71/212072771.db2.gz JHQWHFVNGAHHOX-DOMZBBRYSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010751 212072772 /nfs/dbraw/zinc/07/27/72/212072772.db2.gz JHQWHFVNGAHHOX-DOMZBBRYSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010751 212072775 /nfs/dbraw/zinc/07/27/75/212072775.db2.gz JHQWHFVNGAHHOX-DOMZBBRYSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010751 212072778 /nfs/dbraw/zinc/07/27/78/212072778.db2.gz JHQWHFVNGAHHOX-DOMZBBRYSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010754 212072446 /nfs/dbraw/zinc/07/24/46/212072446.db2.gz JHQWHFVNGAHHOX-WFASDCNBSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010754 212072448 /nfs/dbraw/zinc/07/24/48/212072448.db2.gz JHQWHFVNGAHHOX-WFASDCNBSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010754 212072452 /nfs/dbraw/zinc/07/24/52/212072452.db2.gz JHQWHFVNGAHHOX-WFASDCNBSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000275010754 212072455 /nfs/dbraw/zinc/07/24/55/212072455.db2.gz JHQWHFVNGAHHOX-WFASDCNBSA-N 2 1 316.367 3.357 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770762 193302837 /nfs/dbraw/zinc/30/28/37/193302837.db2.gz YCFCDCSHFFIXEJ-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770762 193302839 /nfs/dbraw/zinc/30/28/39/193302839.db2.gz YCFCDCSHFFIXEJ-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770762 193302840 /nfs/dbraw/zinc/30/28/40/193302840.db2.gz YCFCDCSHFFIXEJ-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000093770762 193302842 /nfs/dbraw/zinc/30/28/42/193302842.db2.gz YCFCDCSHFFIXEJ-CQSZACIVSA-N 2 1 302.418 3.215 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000093659936 193285397 /nfs/dbraw/zinc/28/53/97/193285397.db2.gz MZEDLNHIGZWQRY-INIZCTEOSA-N 2 1 316.449 3.284 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000093659936 193285399 /nfs/dbraw/zinc/28/53/99/193285399.db2.gz MZEDLNHIGZWQRY-INIZCTEOSA-N 2 1 316.449 3.284 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000093659936 193285401 /nfs/dbraw/zinc/28/54/01/193285401.db2.gz MZEDLNHIGZWQRY-INIZCTEOSA-N 2 1 316.449 3.284 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000093659936 193285402 /nfs/dbraw/zinc/28/54/02/193285402.db2.gz MZEDLNHIGZWQRY-INIZCTEOSA-N 2 1 316.449 3.284 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094338788 193361987 /nfs/dbraw/zinc/36/19/87/193361987.db2.gz VCRKSBANYXVNCQ-GWCFXTLKSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094338788 193361989 /nfs/dbraw/zinc/36/19/89/193361989.db2.gz VCRKSBANYXVNCQ-GWCFXTLKSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249627 244795197 /nfs/dbraw/zinc/79/51/97/244795197.db2.gz ZHLUPTGIIOVCPB-DLBZAZTESA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482249627 244795201 /nfs/dbraw/zinc/79/52/01/244795201.db2.gz ZHLUPTGIIOVCPB-DLBZAZTESA-N 2 1 316.489 3.264 20 0 DGADMP CCc1noc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121910280 284208621 /nfs/dbraw/zinc/20/86/21/284208621.db2.gz SEIIDXQIEYOAID-HNNXBMFYSA-N 2 1 320.481 3.281 20 0 DGADMP C(=C\c1ccncc1)\C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000486939365 245001902 /nfs/dbraw/zinc/00/19/02/245001902.db2.gz NTEUXIVPZUSLRP-DAXSKMNVSA-N 2 1 307.441 3.349 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCCCCC2)CC1 ZINC000123053805 284231647 /nfs/dbraw/zinc/23/16/47/284231647.db2.gz DTXQAFWUMIJVKG-KDURUIRLSA-N 2 1 321.553 3.447 20 0 DGADMP Fc1ccc2cc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)[nH]c2c1 ZINC000488301097 245175566 /nfs/dbraw/zinc/17/55/66/245175566.db2.gz PVHHECFDRMXWGD-KRWDZBQOSA-N 2 1 311.360 3.355 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@H]3C)CC2)cs1 ZINC000488405363 245185559 /nfs/dbraw/zinc/18/55/59/245185559.db2.gz AEDUZBVWSPQVBR-UKRRQHHQSA-N 2 1 307.507 3.163 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@H]3C)CC2)cs1 ZINC000488405362 245186524 /nfs/dbraw/zinc/18/65/24/245186524.db2.gz AEDUZBVWSPQVBR-HIFRSBDPSA-N 2 1 307.507 3.163 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000489903576 245359241 /nfs/dbraw/zinc/35/92/41/245359241.db2.gz BODJBHAFJKNXBW-MRXNPFEDSA-N 2 1 308.416 3.171 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000489903576 245359245 /nfs/dbraw/zinc/35/92/45/245359245.db2.gz BODJBHAFJKNXBW-MRXNPFEDSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000489903576 245359250 /nfs/dbraw/zinc/35/92/50/245359250.db2.gz BODJBHAFJKNXBW-MRXNPFEDSA-N 2 1 308.416 3.171 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000489903576 245359256 /nfs/dbraw/zinc/35/92/56/245359256.db2.gz BODJBHAFJKNXBW-MRXNPFEDSA-N 2 1 308.416 3.171 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000124532038 284260733 /nfs/dbraw/zinc/26/07/33/284260733.db2.gz ONEZPIADLAQYTB-IBGZPJMESA-N 2 1 309.542 3.209 20 0 DGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000264839129 204197234 /nfs/dbraw/zinc/19/72/34/204197234.db2.gz GJRDEPOGFALLNP-GOSISDBHSA-N 2 1 302.462 3.372 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246388470 432124831 /nfs/dbraw/zinc/12/48/31/432124831.db2.gz KQVGMQRDHDLAPD-BMHOQUIDSA-N 3 1 307.526 3.102 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246388470 432124835 /nfs/dbraw/zinc/12/48/35/432124835.db2.gz KQVGMQRDHDLAPD-BMHOQUIDSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268713600 432125618 /nfs/dbraw/zinc/12/56/18/432125618.db2.gz LIWOZNZLIVWLRX-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000268713600 432125620 /nfs/dbraw/zinc/12/56/20/432125620.db2.gz LIWOZNZLIVWLRX-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000246392570 432127539 /nfs/dbraw/zinc/12/75/39/432127539.db2.gz BCCWVQIXDNIWQZ-WCXIOVBPSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000246392570 432127543 /nfs/dbraw/zinc/12/75/43/432127543.db2.gz BCCWVQIXDNIWQZ-WCXIOVBPSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000246392570 432127547 /nfs/dbraw/zinc/12/75/47/432127547.db2.gz BCCWVQIXDNIWQZ-WCXIOVBPSA-N 2 1 321.534 3.203 20 0 DGADMP Cc1ccoc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000266165192 205152834 /nfs/dbraw/zinc/15/28/34/205152834.db2.gz AIMQQUBINOUSCO-UHFFFAOYSA-N 2 1 317.433 3.195 20 0 DGADMP c1cc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2s1 ZINC000266265080 205225951 /nfs/dbraw/zinc/22/59/51/205225951.db2.gz PWEJLBGRPKADER-CYBMUJFWSA-N 2 1 317.458 3.209 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000268778783 432132818 /nfs/dbraw/zinc/13/28/18/432132818.db2.gz CITREZYZFQUDCX-KRWDZBQOSA-N 2 1 301.459 3.202 20 0 DGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000493794654 246070242 /nfs/dbraw/zinc/07/02/42/246070242.db2.gz MMTBQYHFTCOZHR-HNNXBMFYSA-N 2 1 323.278 3.429 20 0 DGADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000493892625 246093503 /nfs/dbraw/zinc/09/35/03/246093503.db2.gz XTSDSLMWYKODNO-ZJRDLVKKSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC000493892625 246093507 /nfs/dbraw/zinc/09/35/07/246093507.db2.gz XTSDSLMWYKODNO-ZJRDLVKKSA-N 2 1 314.473 3.341 20 0 DGADMP Fc1cncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000494578729 246166481 /nfs/dbraw/zinc/16/64/81/246166481.db2.gz MLBGERKLLNEDRE-CQSZACIVSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000494578729 246166485 /nfs/dbraw/zinc/16/64/85/246166485.db2.gz MLBGERKLLNEDRE-CQSZACIVSA-N 2 1 319.449 3.284 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462542 206083713 /nfs/dbraw/zinc/08/37/13/206083713.db2.gz SNHYITABDBQUQX-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462542 206083718 /nfs/dbraw/zinc/08/37/18/206083718.db2.gz SNHYITABDBQUQX-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462542 206083723 /nfs/dbraw/zinc/08/37/23/206083723.db2.gz SNHYITABDBQUQX-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000267462542 206083728 /nfs/dbraw/zinc/08/37/28/206083728.db2.gz SNHYITABDBQUQX-COXVUDFISA-N 2 1 310.869 3.036 20 0 DGADMP Fc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000494578728 246167130 /nfs/dbraw/zinc/16/71/30/246167130.db2.gz MLBGERKLLNEDRE-AWEZNQCLSA-N 2 1 319.449 3.284 20 0 DGADMP Fc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000494578728 246167132 /nfs/dbraw/zinc/16/71/32/246167132.db2.gz MLBGERKLLNEDRE-AWEZNQCLSA-N 2 1 319.449 3.284 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000267497846 206107372 /nfs/dbraw/zinc/10/73/72/206107372.db2.gz ZCQPXGFNBFILJU-OAHLLOKOSA-N 2 1 323.912 3.359 20 0 DGADMP CC[NH+]1CCC([NH2+]CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000268793919 432136306 /nfs/dbraw/zinc/13/63/06/432136306.db2.gz CYJHTWJIMMBKOO-UHFFFAOYSA-N 2 1 316.367 3.158 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000268852014 432144098 /nfs/dbraw/zinc/14/40/98/432144098.db2.gz WRIIDNLMNTWKND-CVEARBPZSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267888701 206320450 /nfs/dbraw/zinc/32/04/50/206320450.db2.gz SASAZRDIXLPIKH-VQIMIIECSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000267888701 206320452 /nfs/dbraw/zinc/32/04/52/206320452.db2.gz SASAZRDIXLPIKH-VQIMIIECSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)s1 ZINC000268852984 432144346 /nfs/dbraw/zinc/14/43/46/432144346.db2.gz CNPFGZDKAOIJDT-QWHCGFSZSA-N 2 1 316.898 3.289 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000042427565 183269470 /nfs/dbraw/zinc/26/94/70/183269470.db2.gz SLMKMMGTMRGGFQ-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1OC(F)F ZINC000105443493 194104439 /nfs/dbraw/zinc/10/44/39/194104439.db2.gz XWCAMOHUVMQCPR-LBPRGKRZSA-N 2 1 309.360 3.219 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1nccs1 ZINC000106249919 194192695 /nfs/dbraw/zinc/19/26/95/194192695.db2.gz ADDPYDCJELXGCG-CQSZACIVSA-N 2 1 319.474 3.324 20 0 DGADMP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000237164855 284791809 /nfs/dbraw/zinc/79/18/09/284791809.db2.gz AMFKIYHEIMSJOI-ICSRJNTNSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268849209 207014352 /nfs/dbraw/zinc/01/43/52/207014352.db2.gz XRZWMEWZAPVZMS-AWEZNQCLSA-N 2 1 309.417 3.036 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CCCO2 ZINC000268865158 207033089 /nfs/dbraw/zinc/03/30/89/207033089.db2.gz NSGVOWGCILEWCA-KRWDZBQOSA-N 2 1 315.417 3.094 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCCC2 ZINC000268861389 207029780 /nfs/dbraw/zinc/02/97/80/207029780.db2.gz SENFFLGREFCWJK-MRXNPFEDSA-N 2 1 316.489 3.063 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268889170 207058113 /nfs/dbraw/zinc/05/81/13/207058113.db2.gz NLZCHMGSMANABT-QFHJOOASSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268889170 207058118 /nfs/dbraw/zinc/05/81/18/207058118.db2.gz NLZCHMGSMANABT-QFHJOOASSA-N 2 1 304.478 3.036 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268890895 207061266 /nfs/dbraw/zinc/06/12/66/207061266.db2.gz AESYIGIAJBQGLD-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268890895 207061270 /nfs/dbraw/zinc/06/12/70/207061270.db2.gz AESYIGIAJBQGLD-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902966 207070747 /nfs/dbraw/zinc/07/07/47/207070747.db2.gz PABYBRLHOZTFSF-IMJJTQAJSA-N 2 1 306.450 3.227 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000268902966 207070751 /nfs/dbraw/zinc/07/07/51/207070751.db2.gz PABYBRLHOZTFSF-IMJJTQAJSA-N 2 1 306.450 3.227 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268926803 207093825 /nfs/dbraw/zinc/09/38/25/207093825.db2.gz YBSRHWCFWIAGEK-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268926803 207093830 /nfs/dbraw/zinc/09/38/30/207093830.db2.gz YBSRHWCFWIAGEK-UHOSZYNNSA-N 2 1 304.478 3.180 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000269014090 207164946 /nfs/dbraw/zinc/16/49/46/207164946.db2.gz YAATVHDCJFAXNE-LJQANCHMSA-N 2 1 322.468 3.093 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269079643 207224908 /nfs/dbraw/zinc/22/49/08/207224908.db2.gz ZERMYOPJFPNIHQ-ZMMAXQRCSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269079643 207224909 /nfs/dbraw/zinc/22/49/09/207224909.db2.gz ZERMYOPJFPNIHQ-ZMMAXQRCSA-N 2 1 304.478 3.036 20 0 DGADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000248660842 285015657 /nfs/dbraw/zinc/01/56/57/285015657.db2.gz WOGPBABNSGSJMM-KZNAEPCWSA-N 2 1 316.514 3.382 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545371 532984111 /nfs/dbraw/zinc/98/41/11/532984111.db2.gz QAIPBRHNTMKZQS-TZMCWYRMSA-N 2 1 303.381 3.040 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430545371 532984119 /nfs/dbraw/zinc/98/41/19/532984119.db2.gz QAIPBRHNTMKZQS-TZMCWYRMSA-N 2 1 303.381 3.040 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000173786720 532986303 /nfs/dbraw/zinc/98/63/03/532986303.db2.gz QADBTYOEEATVKE-INIZCTEOSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000173786720 532986310 /nfs/dbraw/zinc/98/63/10/532986310.db2.gz QADBTYOEEATVKE-INIZCTEOSA-N 2 1 320.502 3.205 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000249050610 285049691 /nfs/dbraw/zinc/04/96/91/285049691.db2.gz OFDJVSAQQXHUNJ-AEFFLSMTSA-N 2 1 316.489 3.263 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000269998291 208053374 /nfs/dbraw/zinc/05/33/74/208053374.db2.gz XGVBEFIHFKRMGG-SLFFLAALSA-N 2 1 310.441 3.090 20 0 DGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249179737 285061551 /nfs/dbraw/zinc/06/15/51/285061551.db2.gz HGKRWZHZDMROBR-ROUUACIJSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOCC1CC1 ZINC000249485482 285076175 /nfs/dbraw/zinc/07/61/75/285076175.db2.gz UFQYXVUHODGJMB-YRWFTTLQSA-N 2 1 316.489 3.159 20 0 DGADMP CC(C)n1nccc1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209354 253062481 /nfs/dbraw/zinc/06/24/81/253062481.db2.gz RZWFATMELLZSCF-HOTGVXAUSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337209354 253062483 /nfs/dbraw/zinc/06/24/83/253062483.db2.gz RZWFATMELLZSCF-HOTGVXAUSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337209354 253062486 /nfs/dbraw/zinc/06/24/86/253062486.db2.gz RZWFATMELLZSCF-HOTGVXAUSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)COCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000337308152 253082513 /nfs/dbraw/zinc/08/25/13/253082513.db2.gz XPXOJUQIVRBBGF-UHFFFAOYSA-N 2 1 319.493 3.293 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337444417 253117398 /nfs/dbraw/zinc/11/73/98/253117398.db2.gz ZLMFEKLUOSBATQ-KGLIPLIRSA-N 2 1 301.381 3.112 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337475576 253123670 /nfs/dbraw/zinc/12/36/70/253123670.db2.gz YEGMNSHJUOBBLV-UHFFFAOYSA-N 2 1 301.409 3.478 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337475576 253123673 /nfs/dbraw/zinc/12/36/73/253123673.db2.gz YEGMNSHJUOBBLV-UHFFFAOYSA-N 2 1 301.409 3.478 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000337334596 253089942 /nfs/dbraw/zinc/08/99/42/253089942.db2.gz KTJLQPKPPQZIFX-UHFFFAOYSA-N 2 1 301.434 3.333 20 0 DGADMP FC(F)O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000337568811 253140692 /nfs/dbraw/zinc/14/06/92/253140692.db2.gz ZUOIGUCPZYXHDU-IRXDYDNUSA-N 2 1 324.415 3.401 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435626005 285095815 /nfs/dbraw/zinc/09/58/15/285095815.db2.gz JLMOPYMKERDVJS-KRWDZBQOSA-N 2 1 301.409 3.338 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000337762492 253170878 /nfs/dbraw/zinc/17/08/78/253170878.db2.gz PZWOCDXKOUQODG-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000337762492 253170881 /nfs/dbraw/zinc/17/08/81/253170881.db2.gz PZWOCDXKOUQODG-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000338020358 253211692 /nfs/dbraw/zinc/21/16/92/253211692.db2.gz SJEVMCIOEJYSBB-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000338020358 253211695 /nfs/dbraw/zinc/21/16/95/253211695.db2.gz SJEVMCIOEJYSBB-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000338032268 253213656 /nfs/dbraw/zinc/21/36/56/253213656.db2.gz VGVZBFRVIHWRMS-GDBMZVCRSA-N 2 1 312.404 3.258 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000338032268 253213661 /nfs/dbraw/zinc/21/36/61/253213661.db2.gz VGVZBFRVIHWRMS-GDBMZVCRSA-N 2 1 312.404 3.258 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000337947344 253198673 /nfs/dbraw/zinc/19/86/73/253198673.db2.gz RCVGJASLBMCMCF-UHFFFAOYSA-N 2 1 307.825 3.424 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)nc(C)[nH+]1 ZINC000338001508 253208085 /nfs/dbraw/zinc/20/80/85/253208085.db2.gz XXYFQIPAQUGKPJ-ROUUACIJSA-N 2 1 314.477 3.231 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000338008745 253209592 /nfs/dbraw/zinc/20/95/92/253209592.db2.gz DTKJSROIMYECIW-LJQANCHMSA-N 2 1 324.403 3.495 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338197751 253240480 /nfs/dbraw/zinc/24/04/80/253240480.db2.gz MVCBBZSKAWEBRN-FQEVSTJZSA-N 2 1 324.472 3.224 20 0 DGADMP CC(C)CCC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000338447967 253289857 /nfs/dbraw/zinc/28/98/57/253289857.db2.gz SCUXAWYHPKUCSV-LJQANCHMSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)CCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000338447967 253289858 /nfs/dbraw/zinc/28/98/58/253289858.db2.gz SCUXAWYHPKUCSV-LJQANCHMSA-N 2 1 304.478 3.303 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000339175880 253421142 /nfs/dbraw/zinc/42/11/42/253421142.db2.gz WPRAMBBCWMIVNZ-DOTOQJQBSA-N 2 1 322.493 3.105 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000342562286 254007955 /nfs/dbraw/zinc/00/79/55/254007955.db2.gz HYNCSVMFNSCVGB-SJLPKXTDSA-N 2 1 324.472 3.234 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000342562286 254007957 /nfs/dbraw/zinc/00/79/57/254007957.db2.gz HYNCSVMFNSCVGB-SJLPKXTDSA-N 2 1 324.472 3.234 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000342697402 254033897 /nfs/dbraw/zinc/03/38/97/254033897.db2.gz LEZFEXDDMUTPPX-MSOLQXFVSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000342697402 254033899 /nfs/dbraw/zinc/03/38/99/254033899.db2.gz LEZFEXDDMUTPPX-MSOLQXFVSA-N 2 1 304.478 3.474 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000343513523 254154183 /nfs/dbraw/zinc/15/41/83/254154183.db2.gz PFMWHDBOWDXCKQ-INIZCTEOSA-N 2 1 306.425 3.287 20 0 DGADMP Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc[nH+]1 ZINC000343641381 254171836 /nfs/dbraw/zinc/17/18/36/254171836.db2.gz ZSKAGHHEMWVZMO-FQEVSTJZSA-N 2 1 307.441 3.492 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512049 254278400 /nfs/dbraw/zinc/27/84/00/254278400.db2.gz JXRREXXJRBKENV-XEYPJELSSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512049 254278401 /nfs/dbraw/zinc/27/84/01/254278401.db2.gz JXRREXXJRBKENV-XEYPJELSSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000344512049 254278402 /nfs/dbraw/zinc/27/84/02/254278402.db2.gz JXRREXXJRBKENV-XEYPJELSSA-N 2 1 315.505 3.142 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512042 254278582 /nfs/dbraw/zinc/27/85/82/254278582.db2.gz JXRREXXJRBKENV-BWPNAZKDSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512042 254278584 /nfs/dbraw/zinc/27/85/84/254278584.db2.gz JXRREXXJRBKENV-BWPNAZKDSA-N 2 1 315.505 3.142 20 0 DGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000344512042 254278585 /nfs/dbraw/zinc/27/85/85/254278585.db2.gz JXRREXXJRBKENV-BWPNAZKDSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367095 285220094 /nfs/dbraw/zinc/22/00/94/285220094.db2.gz BRORKNYSALDXDW-YLJYHZDGSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367095 285220096 /nfs/dbraw/zinc/22/00/96/285220096.db2.gz BRORKNYSALDXDW-YLJYHZDGSA-N 2 1 316.489 3.098 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000322026721 285306217 /nfs/dbraw/zinc/30/62/17/285306217.db2.gz GWGORAJUXBICLX-QBUWPKIASA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000322026721 285306219 /nfs/dbraw/zinc/30/62/19/285306219.db2.gz GWGORAJUXBICLX-QBUWPKIASA-N 2 1 314.473 3.157 20 0 DGADMP C=Cn1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289780593 221220854 /nfs/dbraw/zinc/22/08/54/221220854.db2.gz RPEKWPYDPJMSNF-FQEVSTJZSA-N 2 1 322.456 3.082 20 0 DGADMP O[C@@H](CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000289854535 221271357 /nfs/dbraw/zinc/27/13/57/221271357.db2.gz KWZDIMORLHTVDI-SXLOBPIMSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000289854535 221271361 /nfs/dbraw/zinc/27/13/61/221271361.db2.gz KWZDIMORLHTVDI-SXLOBPIMSA-N 2 1 314.473 3.059 20 0 DGADMP O[C@@H](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000289854535 221271363 /nfs/dbraw/zinc/27/13/63/221271363.db2.gz KWZDIMORLHTVDI-SXLOBPIMSA-N 2 1 314.473 3.059 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000290169589 221463984 /nfs/dbraw/zinc/46/39/84/221463984.db2.gz MREBTMRTBDMTIC-KUHUBIRLSA-N 2 1 313.445 3.382 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccs1 ZINC000349402944 285344077 /nfs/dbraw/zinc/34/40/77/285344077.db2.gz ANEOTZRZPBCPMX-UHFFFAOYSA-N 2 1 306.479 3.302 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccs1 ZINC000349402944 285344078 /nfs/dbraw/zinc/34/40/78/285344078.db2.gz ANEOTZRZPBCPMX-UHFFFAOYSA-N 2 1 306.479 3.302 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535518 285353652 /nfs/dbraw/zinc/35/36/52/285353652.db2.gz RSEZIRLQSFXVRY-HXUWFJFHSA-N 2 1 324.472 3.065 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535518 285353654 /nfs/dbraw/zinc/35/36/54/285353654.db2.gz RSEZIRLQSFXVRY-HXUWFJFHSA-N 2 1 324.472 3.065 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000352535714 285354104 /nfs/dbraw/zinc/35/41/04/285354104.db2.gz URTRPWURMYIWQB-LJQANCHMSA-N 2 1 318.461 3.058 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000352535714 285354106 /nfs/dbraw/zinc/35/41/06/285354106.db2.gz URTRPWURMYIWQB-LJQANCHMSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000295872289 533296685 /nfs/dbraw/zinc/29/66/85/533296685.db2.gz GJOQRDQFEBFOKM-IHBAFOEMSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC000292848539 533329505 /nfs/dbraw/zinc/32/95/05/533329505.db2.gz SZHPAHIHAUCDKM-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC000292848539 533329509 /nfs/dbraw/zinc/32/95/09/533329509.db2.gz SZHPAHIHAUCDKM-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc2c1 ZINC000292848539 533329514 /nfs/dbraw/zinc/32/95/14/533329514.db2.gz SZHPAHIHAUCDKM-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073478 533447696 /nfs/dbraw/zinc/44/76/96/533447696.db2.gz ZGZYFZSXPLITMK-LRDDRELGSA-N 2 1 323.868 3.164 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@@H]1C[NH3+] ZINC000415121910 533644026 /nfs/dbraw/zinc/64/40/26/533644026.db2.gz HSXXLIOZNGTIMS-AAEUAGOBSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C[C@@H]1C[NH3+] ZINC000415121910 533644035 /nfs/dbraw/zinc/64/40/35/533644035.db2.gz HSXXLIOZNGTIMS-AAEUAGOBSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H](CCc1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432349883 533671224 /nfs/dbraw/zinc/67/12/24/533671224.db2.gz YIKIBLSAKGRQNC-OALUTQOASA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078856 400100752 /nfs/dbraw/zinc/10/07/52/400100752.db2.gz BKYPKCDMQGOZIC-DOTOQJQBSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078856 400100755 /nfs/dbraw/zinc/10/07/55/400100755.db2.gz BKYPKCDMQGOZIC-DOTOQJQBSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078876 400100885 /nfs/dbraw/zinc/10/08/85/400100885.db2.gz BKYPKCDMQGOZIC-RDJZCZTQSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1(C(=O)OC)CCC1 ZINC000595078876 400100888 /nfs/dbraw/zinc/10/08/88/400100888.db2.gz BKYPKCDMQGOZIC-RDJZCZTQSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000584807049 400106535 /nfs/dbraw/zinc/10/65/35/400106535.db2.gz KYFNPZCSUFLNAY-SFHVURJKSA-N 2 1 302.462 3.295 20 0 DGADMP O[C@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000091306320 400111691 /nfs/dbraw/zinc/11/16/91/400111691.db2.gz VOOQUTAUMLFZKY-VQIMIIECSA-N 2 1 320.452 3.103 20 0 DGADMP COc1ccsc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066348 400151543 /nfs/dbraw/zinc/15/15/43/400151543.db2.gz QIKCWXDFUXYHCE-HIFRSBDPSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066348 400151549 /nfs/dbraw/zinc/15/15/49/400151549.db2.gz QIKCWXDFUXYHCE-HIFRSBDPSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066348 400151553 /nfs/dbraw/zinc/15/15/53/400151553.db2.gz QIKCWXDFUXYHCE-HIFRSBDPSA-N 2 1 306.475 3.205 20 0 DGADMP COc1ccsc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066348 400151557 /nfs/dbraw/zinc/15/15/57/400151557.db2.gz QIKCWXDFUXYHCE-HIFRSBDPSA-N 2 1 306.475 3.205 20 0 DGADMP CCOCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821179 400206598 /nfs/dbraw/zinc/20/65/98/400206598.db2.gz INIKYOKGKBLXSO-UHFFFAOYSA-N 2 1 305.466 3.047 20 0 DGADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)s1 ZINC000595911614 400293968 /nfs/dbraw/zinc/29/39/68/400293968.db2.gz UVWWMEHHCQIAHM-IUODEOHRSA-N 2 1 324.490 3.183 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000589641527 400314747 /nfs/dbraw/zinc/31/47/47/400314747.db2.gz NJHVEXJJRKPZQX-HOTGVXAUSA-N 2 1 314.477 3.411 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1Br ZINC000069754055 400341242 /nfs/dbraw/zinc/34/12/42/400341242.db2.gz BZZWCVYDAJNCNZ-UHFFFAOYSA-N 2 1 308.223 3.134 20 0 DGADMP CSC1(CNc2[nH+]ccc3c(N)cccc32)CC[NH+](C)CC1 ZINC000596237674 400358022 /nfs/dbraw/zinc/35/80/22/400358022.db2.gz FQNDTSNVPGJCBK-UHFFFAOYSA-N 2 1 316.474 3.056 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000590786581 400433947 /nfs/dbraw/zinc/43/39/47/400433947.db2.gz GLXJNSAQLXKNCU-INIZCTEOSA-N 2 1 317.477 3.066 20 0 DGADMP CSCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000611586632 400427848 /nfs/dbraw/zinc/42/78/48/400427848.db2.gz VIXPIBDKJUZXIS-FGTMMUONSA-N 2 1 304.503 3.240 20 0 DGADMP Cc1ncccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000590880815 400453730 /nfs/dbraw/zinc/45/37/30/400453730.db2.gz LAWOEYSKFBTNBO-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c2ncccc12 ZINC000591082128 400483862 /nfs/dbraw/zinc/48/38/62/400483862.db2.gz CXZWHSKGGIAGTG-HNNXBMFYSA-N 2 1 310.376 3.408 20 0 DGADMP C[N@H+](CCC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110030 400635086 /nfs/dbraw/zinc/63/50/86/400635086.db2.gz PJYHYAGGDZHSEV-HNNXBMFYSA-N 2 1 300.368 3.393 20 0 DGADMP C[N@@H+](CCC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110030 400635090 /nfs/dbraw/zinc/63/50/90/400635090.db2.gz PJYHYAGGDZHSEV-HNNXBMFYSA-N 2 1 300.368 3.393 20 0 DGADMP C[NH+](CCC(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110030 400635092 /nfs/dbraw/zinc/63/50/92/400635092.db2.gz PJYHYAGGDZHSEV-HNNXBMFYSA-N 2 1 300.368 3.393 20 0 DGADMP C[NH+](CCC(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110030 400635098 /nfs/dbraw/zinc/63/50/98/400635098.db2.gz PJYHYAGGDZHSEV-HNNXBMFYSA-N 2 1 300.368 3.393 20 0 DGADMP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157475823 400717602 /nfs/dbraw/zinc/71/76/02/400717602.db2.gz KAUYWCSFZHGZON-QGZVFWFLSA-N 2 1 306.425 3.155 20 0 DGADMP Fc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157475823 400717607 /nfs/dbraw/zinc/71/76/07/400717607.db2.gz KAUYWCSFZHGZON-QGZVFWFLSA-N 2 1 306.425 3.155 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000604418181 400774954 /nfs/dbraw/zinc/77/49/54/400774954.db2.gz KHFJPNCXCCXGTA-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2ccccc2n1 ZINC000614387501 400891544 /nfs/dbraw/zinc/89/15/44/400891544.db2.gz IIJZBAQKGYXOKT-INIZCTEOSA-N 2 1 312.461 3.374 20 0 DGADMP Clc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000629513482 400952905 /nfs/dbraw/zinc/95/29/05/400952905.db2.gz GYSUHWUXXBKDJA-GZOSKZMVSA-N 2 1 320.864 3.181 20 0 DGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000629581153 400981204 /nfs/dbraw/zinc/98/12/04/400981204.db2.gz OZLAIAOWYZMYKZ-CYBMUJFWSA-N 2 1 312.379 3.453 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@@H]1C(F)(F)F ZINC000629654856 401019993 /nfs/dbraw/zinc/01/99/93/401019993.db2.gz IXUQNJPZKVBKFY-CVEARBPZSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@@H]1C(F)(F)F ZINC000629654856 401019999 /nfs/dbraw/zinc/01/99/99/401019999.db2.gz IXUQNJPZKVBKFY-CVEARBPZSA-N 2 1 323.362 3.194 20 0 DGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532159 400962774 /nfs/dbraw/zinc/96/27/74/400962774.db2.gz ONTKEEKEYIYRBD-KGLIPLIRSA-N 2 1 308.853 3.257 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@H]1C(F)(F)F ZINC000629559036 400975351 /nfs/dbraw/zinc/97/53/51/400975351.db2.gz AIFIHMITQCCFRR-HUUCEWRRSA-N 2 1 323.362 3.194 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629560021 400975851 /nfs/dbraw/zinc/97/58/51/400975851.db2.gz CHIUQMSQVLUGED-GJZGRUSLSA-N 2 1 300.368 3.263 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629560021 400975856 /nfs/dbraw/zinc/97/58/56/400975856.db2.gz CHIUQMSQVLUGED-GJZGRUSLSA-N 2 1 300.368 3.263 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@@H]1C(F)(F)F ZINC000629559032 400976000 /nfs/dbraw/zinc/97/60/00/400976000.db2.gz AIFIHMITQCCFRR-CABCVRRESA-N 2 1 323.362 3.194 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561875 400978014 /nfs/dbraw/zinc/97/80/14/400978014.db2.gz LBPAVFNLIFLBPX-QKCSRTOESA-N 2 1 304.331 3.346 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561875 400978019 /nfs/dbraw/zinc/97/80/19/400978019.db2.gz LBPAVFNLIFLBPX-QKCSRTOESA-N 2 1 304.331 3.346 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561871 400978139 /nfs/dbraw/zinc/97/81/39/400978139.db2.gz LBPAVFNLIFLBPX-MPKXVKKWSA-N 2 1 304.331 3.346 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561871 400978142 /nfs/dbraw/zinc/97/81/42/400978142.db2.gz LBPAVFNLIFLBPX-MPKXVKKWSA-N 2 1 304.331 3.346 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629565210 400980004 /nfs/dbraw/zinc/98/00/04/400980004.db2.gz KAUORTOPXHTLAZ-LSDHHAIUSA-N 2 1 300.368 3.263 20 0 DGADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@H]([NH3+])CO)cc2)cc1 ZINC000629702966 401048553 /nfs/dbraw/zinc/04/85/53/401048553.db2.gz YEQWKGBMWLSMOI-MGPUTAFESA-N 2 1 310.441 3.330 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)n1-c1ccccc1 ZINC000081292707 401049914 /nfs/dbraw/zinc/04/99/14/401049914.db2.gz LJEUGLBXQKMQFE-MRXNPFEDSA-N 2 1 312.461 3.002 20 0 DGADMP [NH3+][C@@H]1CCc2c1cccc2-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000629732218 401062399 /nfs/dbraw/zinc/06/23/99/401062399.db2.gz ALEGSYTUGNQCRL-HXUWFJFHSA-N 2 1 308.425 3.132 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cc(C)cc(C)c2)C[C@H]1C ZINC000607155542 401024237 /nfs/dbraw/zinc/02/42/37/401024237.db2.gz JIWQKIIHDWJHOF-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cc(C)cc(C)c2)C[C@H]1C ZINC000607155542 401024247 /nfs/dbraw/zinc/02/42/47/401024247.db2.gz JIWQKIIHDWJHOF-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)C[C@H]1C ZINC000607155542 401024257 /nfs/dbraw/zinc/02/42/57/401024257.db2.gz JIWQKIIHDWJHOF-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000060335541 401107528 /nfs/dbraw/zinc/10/75/28/401107528.db2.gz NSVYAVZLKQMFPW-GOSISDBHSA-N 2 1 317.477 3.341 20 0 DGADMP Cc1cc(NCc2ccc(OCCC[NH+](C)C)cc2)nc(C)[nH+]1 ZINC000264246749 401122319 /nfs/dbraw/zinc/12/23/19/401122319.db2.gz AOVDDXOOIVXMRL-UHFFFAOYSA-N 2 1 314.433 3.036 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223224 286002195 /nfs/dbraw/zinc/00/21/95/286002195.db2.gz AHHGTMDHMVMXDJ-UZLBHIALSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223224 286002197 /nfs/dbraw/zinc/00/21/97/286002197.db2.gz AHHGTMDHMVMXDJ-UZLBHIALSA-N 2 1 310.441 3.071 20 0 DGADMP CCOc1cncc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000621328887 401167996 /nfs/dbraw/zinc/16/79/96/401167996.db2.gz HHNBTVJNMAVGMI-INIZCTEOSA-N 2 1 305.466 3.225 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000062426901 401171255 /nfs/dbraw/zinc/17/12/55/401171255.db2.gz AJUNYBIZSYPVFG-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000088684417 401205029 /nfs/dbraw/zinc/20/50/29/401205029.db2.gz IRYUXUXCXZYGGL-LPHOPBHVSA-N 2 1 312.461 3.007 20 0 DGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000089515550 401225421 /nfs/dbraw/zinc/22/54/21/401225421.db2.gz PWWQRAONGCRYSU-PMPSAXMXSA-N 2 1 322.518 3.353 20 0 DGADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000595000038 401224144 /nfs/dbraw/zinc/22/41/44/401224144.db2.gz HVDHGHRMKGNTQU-HNNXBMFYSA-N 2 1 312.498 3.064 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000608495033 401262679 /nfs/dbraw/zinc/26/26/79/401262679.db2.gz YUYLENCTGPATJT-UHFFFAOYSA-N 2 1 303.494 3.305 20 0 DGADMP CC(C)(C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090589767 401270518 /nfs/dbraw/zinc/27/05/18/401270518.db2.gz SSJBZXCHDQIEJO-IBGZPJMESA-N 2 1 318.505 3.080 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000621719384 401284295 /nfs/dbraw/zinc/28/42/95/401284295.db2.gz LCMDVDGRNPAMJC-JCGIZDLHSA-N 2 1 322.518 3.384 20 0 DGADMP CC(C)(C)C1CCC(O)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000089583998 401227744 /nfs/dbraw/zinc/22/77/44/401227744.db2.gz JOGGDRGQMLXXGT-DHADLLTHSA-N 2 1 308.510 3.170 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cncc(OCC)c1 ZINC000621727553 401287410 /nfs/dbraw/zinc/28/74/10/401287410.db2.gz IJAKUAMHCPJELO-UHFFFAOYSA-N 2 1 316.449 3.151 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cncc(OCC)c1 ZINC000621727553 401287413 /nfs/dbraw/zinc/28/74/13/401287413.db2.gz IJAKUAMHCPJELO-UHFFFAOYSA-N 2 1 316.449 3.151 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732395 401340748 /nfs/dbraw/zinc/34/07/48/401340748.db2.gz FLWZOKUAAPSMKF-QRQLOZEOSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732395 401340750 /nfs/dbraw/zinc/34/07/50/401340750.db2.gz FLWZOKUAAPSMKF-QRQLOZEOSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732392 401340815 /nfs/dbraw/zinc/34/08/15/401340815.db2.gz FLWZOKUAAPSMKF-BHIYHBOVSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732392 401340816 /nfs/dbraw/zinc/34/08/16/401340816.db2.gz FLWZOKUAAPSMKF-BHIYHBOVSA-N 2 1 315.505 3.190 20 0 DGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062785 401292727 /nfs/dbraw/zinc/29/27/27/401292727.db2.gz GNVQMRWJJAGHLI-LJQANCHMSA-N 3 1 303.494 3.054 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062785 401292729 /nfs/dbraw/zinc/29/27/29/401292729.db2.gz GNVQMRWJJAGHLI-LJQANCHMSA-N 3 1 303.494 3.054 20 0 DGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062785 401292730 /nfs/dbraw/zinc/29/27/30/401292730.db2.gz GNVQMRWJJAGHLI-LJQANCHMSA-N 3 1 303.494 3.054 20 0 DGADMP CCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062785 401292732 /nfs/dbraw/zinc/29/27/32/401292732.db2.gz GNVQMRWJJAGHLI-LJQANCHMSA-N 2 1 303.494 3.054 20 0 DGADMP CCN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062785 401292734 /nfs/dbraw/zinc/29/27/34/401292734.db2.gz GNVQMRWJJAGHLI-LJQANCHMSA-N 2 1 303.494 3.054 20 0 DGADMP Cc1scc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000631070613 401384009 /nfs/dbraw/zinc/38/40/09/401384009.db2.gz BOAMJSZNGKTRNY-QGZVFWFLSA-N 2 1 308.491 3.098 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000631185700 401419152 /nfs/dbraw/zinc/41/91/52/401419152.db2.gz ABGPRKOCHXTISF-XDNAFOTISA-N 2 1 320.864 3.386 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196429 401423517 /nfs/dbraw/zinc/42/35/17/401423517.db2.gz RPMBALQUTAYOAF-LMMKCTJWSA-N 2 1 304.478 3.158 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631572823 401502162 /nfs/dbraw/zinc/50/21/62/401502162.db2.gz STXIMGUQJMECCQ-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631578608 401504128 /nfs/dbraw/zinc/50/41/28/401504128.db2.gz XHVWUIPWFWDOIS-XSLAGTTESA-N 2 1 306.494 3.044 20 0 DGADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000636020391 401519718 /nfs/dbraw/zinc/51/97/18/401519718.db2.gz CCVXVQRDDHKUMW-SFHVURJKSA-N 2 1 315.461 3.012 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631646716 401523065 /nfs/dbraw/zinc/52/30/65/401523065.db2.gz BLKATCWFYQWXBS-JXFKEZNVSA-N 2 1 314.473 3.394 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000628162215 401539439 /nfs/dbraw/zinc/53/94/39/401539439.db2.gz HYZWAOWMGSPTFN-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP Cc1c[nH]c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000628162215 401539441 /nfs/dbraw/zinc/53/94/41/401539441.db2.gz HYZWAOWMGSPTFN-UHFFFAOYSA-N 2 1 312.461 3.062 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000631654594 401525736 /nfs/dbraw/zinc/52/57/36/401525736.db2.gz NKXRFGNPZXBXQN-SJWGOKEGSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000631654594 401525740 /nfs/dbraw/zinc/52/57/40/401525740.db2.gz NKXRFGNPZXBXQN-SJWGOKEGSA-N 2 1 308.853 3.242 20 0 DGADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661725 401527560 /nfs/dbraw/zinc/52/75/60/401527560.db2.gz BWIWHHKSYGUCKD-XYJFISCASA-N 2 1 304.478 3.158 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000631663758 401528261 /nfs/dbraw/zinc/52/82/61/401528261.db2.gz LBXPEQSKXXMDPV-LFGUQSLTSA-N 2 1 316.489 3.159 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665381 401529343 /nfs/dbraw/zinc/52/93/43/401529343.db2.gz WXVGGSFMZWNBMH-JENIJYKNSA-N 2 1 304.478 3.159 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000631665786 401529667 /nfs/dbraw/zinc/52/96/67/401529667.db2.gz XXFMUKVREJFHQX-AFYVEPGGSA-N 2 1 316.489 3.159 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1OC(C)C ZINC000623654769 401562184 /nfs/dbraw/zinc/56/21/84/401562184.db2.gz IOGPKKJEPXZHHT-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP COc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1OC(C)C ZINC000623654769 401562185 /nfs/dbraw/zinc/56/21/85/401562185.db2.gz IOGPKKJEPXZHHT-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP C[N@@H+](Cc1ccccc1OCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000631866468 401562437 /nfs/dbraw/zinc/56/24/37/401562437.db2.gz YQTNQIBCVRXLRS-SFHVURJKSA-N 2 1 310.441 3.307 20 0 DGADMP C[N@H+](Cc1ccccc1OCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000631866468 401562440 /nfs/dbraw/zinc/56/24/40/401562440.db2.gz YQTNQIBCVRXLRS-SFHVURJKSA-N 2 1 310.441 3.307 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655515 401562566 /nfs/dbraw/zinc/56/25/66/401562566.db2.gz YMQILYPXRPQIAX-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655515 401562567 /nfs/dbraw/zinc/56/25/67/401562567.db2.gz YMQILYPXRPQIAX-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000623657549 401563452 /nfs/dbraw/zinc/56/34/52/401563452.db2.gz UEONOGZHJUFFSD-CYBMUJFWSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000623657549 401563453 /nfs/dbraw/zinc/56/34/53/401563453.db2.gz UEONOGZHJUFFSD-CYBMUJFWSA-N 2 1 316.367 3.249 20 0 DGADMP CN(C)c1c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc(F)c1F ZINC000628273272 401565263 /nfs/dbraw/zinc/56/52/63/401565263.db2.gz NTZWYVUJLLUMCN-YIONKMFJSA-N 2 1 323.431 3.088 20 0 DGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(C)ccc1C ZINC000623871363 401591574 /nfs/dbraw/zinc/59/15/74/401591574.db2.gz CAKBJYCTVHTMNE-IBGZPJMESA-N 2 1 304.478 3.191 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H]2CCCC[N@H+](C)C2)c2ccccn21 ZINC000628425285 401596223 /nfs/dbraw/zinc/59/62/23/401596223.db2.gz GKACYJLBLUNQKS-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@@H]2CCCC[N@@H+](C)C2)c2ccccn21 ZINC000628425285 401596225 /nfs/dbraw/zinc/59/62/25/401596225.db2.gz GKACYJLBLUNQKS-INIZCTEOSA-N 2 1 314.477 3.279 20 0 DGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)cc1F ZINC000631834750 401560081 /nfs/dbraw/zinc/56/00/81/401560081.db2.gz FCTHLZUZSFKTID-NSHDSACASA-N 2 1 315.230 3.020 20 0 DGADMP COc1cc(F)c([C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121068 401628226 /nfs/dbraw/zinc/62/82/26/401628226.db2.gz NDTUBSOXAURMIP-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000624121068 401628228 /nfs/dbraw/zinc/62/82/28/401628228.db2.gz NDTUBSOXAURMIP-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121068 401628229 /nfs/dbraw/zinc/62/82/29/401628229.db2.gz NDTUBSOXAURMIP-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119582 401628550 /nfs/dbraw/zinc/62/85/50/401628550.db2.gz FMLQILYDKHPYHO-HNAYVOBHSA-N 2 1 302.462 3.394 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C2CC2)c1 ZINC000624121694 401628954 /nfs/dbraw/zinc/62/89/54/401628954.db2.gz BELBGZWESIYWQJ-PXNSSMCTSA-N 2 1 316.489 3.338 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122023 401629122 /nfs/dbraw/zinc/62/91/22/401629122.db2.gz IDDAHVPFYDBNLB-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000624122023 401629123 /nfs/dbraw/zinc/62/91/23/401629123.db2.gz IDDAHVPFYDBNLB-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C2CC2)c1 ZINC000624121696 401629348 /nfs/dbraw/zinc/62/93/48/401629348.db2.gz BELBGZWESIYWQJ-YLJYHZDGSA-N 2 1 316.489 3.338 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000624123338 401629828 /nfs/dbraw/zinc/62/98/28/401629828.db2.gz KCOVBZXKZUHUPD-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624123338 401629829 /nfs/dbraw/zinc/62/98/29/401629829.db2.gz KCOVBZXKZUHUPD-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000358596006 286103196 /nfs/dbraw/zinc/10/31/96/286103196.db2.gz RSQJFDCUFYLMNT-MRXNPFEDSA-N 2 1 317.477 3.199 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000358596006 286103199 /nfs/dbraw/zinc/10/31/99/286103199.db2.gz RSQJFDCUFYLMNT-MRXNPFEDSA-N 2 1 317.477 3.199 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000358596006 286103202 /nfs/dbraw/zinc/10/32/02/286103202.db2.gz RSQJFDCUFYLMNT-MRXNPFEDSA-N 2 1 317.477 3.199 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670244 286120348 /nfs/dbraw/zinc/12/03/48/286120348.db2.gz WAUGABOVSNSNAF-ZHALLVOQSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670244 286120351 /nfs/dbraw/zinc/12/03/51/286120351.db2.gz WAUGABOVSNSNAF-ZHALLVOQSA-N 2 1 324.472 3.050 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000483842377 292234466 /nfs/dbraw/zinc/23/44/66/292234466.db2.gz SINPPHHPZODCCE-AFYVEPGGSA-N 2 1 316.489 3.393 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000359147201 286248104 /nfs/dbraw/zinc/24/81/04/286248104.db2.gz DTDYEEDPWVVBJF-CRAIPNDOSA-N 2 1 317.477 3.340 20 0 DGADMP Brc1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359195480 286258857 /nfs/dbraw/zinc/25/88/57/286258857.db2.gz SWEAOSIIPYTSGI-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000359230485 286265519 /nfs/dbraw/zinc/26/55/19/286265519.db2.gz ZMEUXXIBOFCEAM-VQIMIIECSA-N 2 1 302.462 3.147 20 0 DGADMP C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359223258 286263931 /nfs/dbraw/zinc/26/39/31/286263931.db2.gz QYVOCJFWCLJUMC-KSSFIOAISA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359223258 286263933 /nfs/dbraw/zinc/26/39/33/286263933.db2.gz QYVOCJFWCLJUMC-KSSFIOAISA-N 2 1 322.880 3.492 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000359275579 286273855 /nfs/dbraw/zinc/27/38/55/286273855.db2.gz PSRNBLONLMMSIO-KRWDZBQOSA-N 2 1 317.433 3.304 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000359430667 286307065 /nfs/dbraw/zinc/30/70/65/286307065.db2.gz COMJKWHSMHKAEI-OAHLLOKOSA-N 2 1 316.470 3.431 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+](C)C)C2CCCCC2)cc1 ZINC000479263933 292260275 /nfs/dbraw/zinc/26/02/75/292260275.db2.gz AELPLNWFTYUTSH-RBUKOAKNSA-N 2 1 304.478 3.129 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000360245113 286449419 /nfs/dbraw/zinc/44/94/19/286449419.db2.gz KPXGLHSPRFMCPP-ZIAGYGMSSA-N 2 1 322.415 3.056 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000360910835 286553523 /nfs/dbraw/zinc/55/35/23/286553523.db2.gz XLFHNSDLQWWPRP-NVXWUHKLSA-N 2 1 320.452 3.162 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414083884 287022455 /nfs/dbraw/zinc/02/24/55/287022455.db2.gz XFRCRYYFDUOPEJ-JKSUJKDBSA-N 2 1 304.482 3.135 20 0 DGADMP c1nn([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c2ccccc12 ZINC000364607762 287044005 /nfs/dbraw/zinc/04/40/05/287044005.db2.gz HEYVJDFNLQXCOB-SFHVURJKSA-N 2 1 312.461 3.159 20 0 DGADMP C[C@H](CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000364756529 287058797 /nfs/dbraw/zinc/05/87/97/287058797.db2.gz FCDPIXCJDRNEJC-VBSBHUPXSA-N 2 1 316.489 3.364 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365154399 287103252 /nfs/dbraw/zinc/10/32/52/287103252.db2.gz FVCOVLUXNJOMRE-ROUUACIJSA-N 2 1 300.446 3.192 20 0 DGADMP C[C@H]1CC[C@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000190505949 165206669 /nfs/dbraw/zinc/20/66/69/165206669.db2.gz OIRCYFIALNVNDI-FXAWDEMLSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000191571653 165259584 /nfs/dbraw/zinc/25/95/84/165259584.db2.gz KBOAWFJFUCAMDZ-UHFFFAOYSA-N 2 1 314.477 3.474 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000192167803 165285557 /nfs/dbraw/zinc/28/55/57/165285557.db2.gz RWDFEYWZZTXYLP-HKUYNNGSSA-N 2 1 313.445 3.164 20 0 DGADMP COc1ccc([C@@H](C)CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192900472 165310490 /nfs/dbraw/zinc/31/04/90/165310490.db2.gz WYIGHFRXLYRQGZ-MIGBEJBISA-N 2 1 302.462 3.404 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435222 165346612 /nfs/dbraw/zinc/34/66/12/165346612.db2.gz POWNRMKVHMTIOA-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435222 165346614 /nfs/dbraw/zinc/34/66/14/165346614.db2.gz POWNRMKVHMTIOA-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435222 165346617 /nfs/dbraw/zinc/34/66/17/165346617.db2.gz POWNRMKVHMTIOA-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435222 165346618 /nfs/dbraw/zinc/34/66/18/165346618.db2.gz POWNRMKVHMTIOA-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccco4)s3)CC[C@@H]21 ZINC000194435222 165346621 /nfs/dbraw/zinc/34/66/21/165346621.db2.gz POWNRMKVHMTIOA-HIFRSBDPSA-N 2 1 317.458 3.319 20 0 DGADMP C[C@@]1(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261731472 165740052 /nfs/dbraw/zinc/74/00/52/165740052.db2.gz HHXLIAHUIQARBJ-GOSISDBHSA-N 2 1 320.864 3.234 20 0 DGADMP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365676916 287161651 /nfs/dbraw/zinc/16/16/51/287161651.db2.gz KNCKJAUWNQRLSE-UKRRQHHQSA-N 2 1 309.369 3.437 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130877 432154192 /nfs/dbraw/zinc/15/41/92/432154192.db2.gz KNSKYEAOPOHIMA-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130877 432154196 /nfs/dbraw/zinc/15/41/96/432154196.db2.gz KNSKYEAOPOHIMA-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000269130877 432154200 /nfs/dbraw/zinc/15/42/00/432154200.db2.gz KNSKYEAOPOHIMA-ZBFHGGJFSA-N 2 1 310.388 3.204 20 0 DGADMP CC(C)c1ccc(CC[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000137603348 432178361 /nfs/dbraw/zinc/17/83/61/432178361.db2.gz ISMFAVYAPMOLJU-UHFFFAOYSA-N 2 1 318.505 3.131 20 0 DGADMP CC(C)c1ccc(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000137603348 432178364 /nfs/dbraw/zinc/17/83/64/432178364.db2.gz ISMFAVYAPMOLJU-UHFFFAOYSA-N 2 1 318.505 3.131 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246908670 432179094 /nfs/dbraw/zinc/17/90/94/432179094.db2.gz FTAYEEUVOMPEOH-JSGCOSHPSA-N 2 1 323.868 3.049 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246843893 432172943 /nfs/dbraw/zinc/17/29/43/432172943.db2.gz CGTNNJPMBRZYEM-PXNSSMCTSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246843893 432172945 /nfs/dbraw/zinc/17/29/45/432172945.db2.gz CGTNNJPMBRZYEM-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246843893 432172947 /nfs/dbraw/zinc/17/29/47/432172947.db2.gz CGTNNJPMBRZYEM-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)[C@@H](C)C1 ZINC000246843893 432172953 /nfs/dbraw/zinc/17/29/53/432172953.db2.gz CGTNNJPMBRZYEM-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137200153 432174157 /nfs/dbraw/zinc/17/41/57/432174157.db2.gz IYNNYNBESVQEHX-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP CCOc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000246935119 432183211 /nfs/dbraw/zinc/18/32/11/432183211.db2.gz HIMHTBOAHIVXAR-RVKKMQEKSA-N 2 1 316.445 3.125 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000246935119 432183213 /nfs/dbraw/zinc/18/32/13/432183213.db2.gz HIMHTBOAHIVXAR-RVKKMQEKSA-N 2 1 316.445 3.125 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000246935119 432183217 /nfs/dbraw/zinc/18/32/17/432183217.db2.gz HIMHTBOAHIVXAR-RVKKMQEKSA-N 2 1 316.445 3.125 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000247050482 432196706 /nfs/dbraw/zinc/19/67/06/432196706.db2.gz NGNBICLPVVXQQN-HUUCEWRRSA-N 2 1 307.457 3.274 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000247104765 432202325 /nfs/dbraw/zinc/20/23/25/432202325.db2.gz QFNPUVFIAIPDFM-SOUVJXGZSA-N 2 1 306.450 3.146 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000247104765 432202330 /nfs/dbraw/zinc/20/23/30/432202330.db2.gz QFNPUVFIAIPDFM-SOUVJXGZSA-N 2 1 306.450 3.146 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC[C@@H]21 ZINC000190983871 432208957 /nfs/dbraw/zinc/20/89/57/432208957.db2.gz WIBTWGSZDJGFOE-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)CC[C@@H]21 ZINC000190983871 432208960 /nfs/dbraw/zinc/20/89/60/432208960.db2.gz WIBTWGSZDJGFOE-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CC[C@@H]21 ZINC000190983871 432208962 /nfs/dbraw/zinc/20/89/62/432208962.db2.gz WIBTWGSZDJGFOE-SQNIBIBYSA-N 2 1 306.494 3.284 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)Oc1cccc(F)c1 ZINC000247187469 432209566 /nfs/dbraw/zinc/20/95/66/432209566.db2.gz UEZGSQFWMDFEDK-QGPMSJSTSA-N 2 1 308.441 3.303 20 0 DGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccccc2n1 ZINC000247190970 432209738 /nfs/dbraw/zinc/20/97/38/432209738.db2.gz ULFNVRAEDRSKQK-PMUMKWKESA-N 2 1 313.445 3.062 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000247146671 432206219 /nfs/dbraw/zinc/20/62/19/432206219.db2.gz SPRHDZNJNJGBGJ-PKOBYXMFSA-N 2 1 316.489 3.055 20 0 DGADMP C[NH+]1CCC([C@H]2CCN(c3cc[nH+]c4ccsc43)C2)CC1 ZINC000270041598 432226860 /nfs/dbraw/zinc/22/68/60/432226860.db2.gz AAKCHDVRAOYLEV-AWEZNQCLSA-N 2 1 301.459 3.464 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000134008326 196352953 /nfs/dbraw/zinc/35/29/53/196352953.db2.gz ZNILKXQKLYNDBH-BHIYHBOVSA-N 2 1 303.494 3.142 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000134079160 196359328 /nfs/dbraw/zinc/35/93/28/196359328.db2.gz TUVYBDHZJMMLBY-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000414803738 287289291 /nfs/dbraw/zinc/28/92/91/287289291.db2.gz NYSIXVFQRZARBS-JFRXWTBNSA-N 3 1 307.526 3.137 20 0 DGADMP C[C@@H](CCc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414285 533680335 /nfs/dbraw/zinc/68/03/35/533680335.db2.gz KKLJFLXXMNMHCF-DLBZAZTESA-N 2 1 322.468 3.237 20 0 DGADMP C[C@@H](CCc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414285 533680341 /nfs/dbraw/zinc/68/03/41/533680341.db2.gz KKLJFLXXMNMHCF-DLBZAZTESA-N 2 1 322.468 3.237 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000151099794 196629679 /nfs/dbraw/zinc/62/96/79/196629679.db2.gz IIFAJYPSWUFDJJ-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000151099794 196629681 /nfs/dbraw/zinc/62/96/81/196629681.db2.gz IIFAJYPSWUFDJJ-LSDHHAIUSA-N 2 1 306.450 3.086 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291190976 222209184 /nfs/dbraw/zinc/20/91/84/222209184.db2.gz PERWKZWFSWGNIP-PSBWJHGTSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000291190976 222209187 /nfs/dbraw/zinc/20/91/87/222209187.db2.gz PERWKZWFSWGNIP-PSBWJHGTSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000291198655 222217351 /nfs/dbraw/zinc/21/73/51/222217351.db2.gz PYJMJJKOWQWGQU-IEBWSBKVSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000291198655 222217354 /nfs/dbraw/zinc/21/73/54/222217354.db2.gz PYJMJJKOWQWGQU-IEBWSBKVSA-N 2 1 304.478 3.182 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4CCCO4)C3)CC2)cc1 ZINC000291452459 222398064 /nfs/dbraw/zinc/39/80/64/222398064.db2.gz MHEJNWNYQBVFFN-LJQANCHMSA-N 2 1 314.473 3.154 20 0 DGADMP COc1cc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)ccc1O ZINC000162119468 228256282 /nfs/dbraw/zinc/25/62/82/228256282.db2.gz NPJMBHXDUARFMG-UHFFFAOYSA-N 2 1 318.461 3.241 20 0 DGADMP COc1cc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)ccc1O ZINC000162119468 228256285 /nfs/dbraw/zinc/25/62/85/228256285.db2.gz NPJMBHXDUARFMG-UHFFFAOYSA-N 2 1 318.461 3.241 20 0 DGADMP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000193982587 263805049 /nfs/dbraw/zinc/80/50/49/263805049.db2.gz LIUDBWVKFWSCHO-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CC1CCN(C(=[NH2+])NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303265582 263889186 /nfs/dbraw/zinc/88/91/86/263889186.db2.gz VAJIYUAAHRGUFQ-CALCHBBNSA-N 2 1 308.514 3.001 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCCCC2 ZINC000322819345 263903606 /nfs/dbraw/zinc/90/36/06/263903606.db2.gz BTABZTDWZCCERP-OOHRUWKFSA-N 2 1 306.494 3.329 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCNc1cc[nH+]c3ccccc13)C2 ZINC000346607473 264064599 /nfs/dbraw/zinc/06/45/99/264064599.db2.gz QOOAAIZGTOGJAG-UHFFFAOYSA-N 2 1 303.409 3.127 20 0 DGADMP CCOc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1OC(F)F ZINC000346631835 264069387 /nfs/dbraw/zinc/06/93/87/264069387.db2.gz CPDANKQIOPCNSA-UHFFFAOYSA-N 2 1 316.392 3.103 20 0 DGADMP CCOc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1OC(F)F ZINC000346631835 264069392 /nfs/dbraw/zinc/06/93/92/264069392.db2.gz CPDANKQIOPCNSA-UHFFFAOYSA-N 2 1 316.392 3.103 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OCC ZINC000346643488 264071869 /nfs/dbraw/zinc/07/18/69/264071869.db2.gz MZLXOWGBBVQDDW-UHFFFAOYSA-N 2 1 308.466 3.291 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000346683541 264079280 /nfs/dbraw/zinc/07/92/80/264079280.db2.gz OZGZRKHPWJWMOX-OAHLLOKOSA-N 2 1 318.383 3.433 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000346691806 264080539 /nfs/dbraw/zinc/08/05/39/264080539.db2.gz WLALWFCGXPFPCI-BZPMIXESSA-N 2 1 311.267 3.222 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000346691807 264080717 /nfs/dbraw/zinc/08/07/17/264080717.db2.gz WLALWFCGXPFPCI-DYEKYZERSA-N 2 1 311.267 3.222 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000346693510 264081820 /nfs/dbraw/zinc/08/18/20/264081820.db2.gz NMVKYZGGCQQRDK-CQSZACIVSA-N 2 1 304.463 3.010 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000346693510 264081823 /nfs/dbraw/zinc/08/18/23/264081823.db2.gz NMVKYZGGCQQRDK-CQSZACIVSA-N 2 1 304.463 3.010 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1OCC ZINC000346819346 264102663 /nfs/dbraw/zinc/10/26/63/264102663.db2.gz BETISBORIMAALQ-USXIJHARSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@@H]12 ZINC000346822961 264103748 /nfs/dbraw/zinc/10/37/48/264103748.db2.gz JISPVDZGLZKYAH-KVSKMBFKSA-N 2 1 311.404 3.057 20 0 DGADMP CCCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346825337 264104891 /nfs/dbraw/zinc/10/48/91/264104891.db2.gz GIAFGHFXWROFGE-ARFHVFGLSA-N 2 1 312.461 3.006 20 0 DGADMP CCCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346825337 264104892 /nfs/dbraw/zinc/10/48/92/264104892.db2.gz GIAFGHFXWROFGE-ARFHVFGLSA-N 2 1 312.461 3.006 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@H]21 ZINC000346829895 264105592 /nfs/dbraw/zinc/10/55/92/264105592.db2.gz OJVGKQPQIVBSSK-KCPJHIHWSA-N 2 1 319.499 3.431 20 0 DGADMP CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000346841816 264107480 /nfs/dbraw/zinc/10/74/80/264107480.db2.gz HFJPZDIFUOCKNI-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC000346844837 264107992 /nfs/dbraw/zinc/10/79/92/264107992.db2.gz LQDGWIMCESETCG-VAMGGRTRSA-N 2 1 307.441 3.308 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(C4CCCC4)s3)C[C@@H]21 ZINC000346847517 264108016 /nfs/dbraw/zinc/10/80/16/264108016.db2.gz MVMLIWBBDNHXRW-CWRNSKLLSA-N 2 1 305.491 3.360 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346848900 264108356 /nfs/dbraw/zinc/10/83/56/264108356.db2.gz OSLBUVVBCKLBSE-GVDBMIGSSA-N 2 1 318.461 3.043 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346851385 264109286 /nfs/dbraw/zinc/10/92/86/264109286.db2.gz JMPQWRUXNHMECJ-UHOSZYNNSA-N 2 1 302.462 3.281 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccc3)C[C@@H]12 ZINC000346854907 264109585 /nfs/dbraw/zinc/10/95/85/264109585.db2.gz ZCCJTVVHSLBXAH-MISYRCLQSA-N 2 1 322.452 3.435 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346851387 264109615 /nfs/dbraw/zinc/10/96/15/264109615.db2.gz JMPQWRUXNHMECJ-WDSOQIARSA-N 2 1 302.462 3.281 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346856980 264109905 /nfs/dbraw/zinc/10/99/05/264109905.db2.gz PYMFPDNEEKYYCT-WDSOQIARSA-N 2 1 302.462 3.281 20 0 DGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C2CCCCC2)n1 ZINC000346856861 264110434 /nfs/dbraw/zinc/11/04/34/264110434.db2.gz PSFKMSHILGBETR-RYQLBKOJSA-N 2 1 316.493 3.027 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346994179 264135455 /nfs/dbraw/zinc/13/54/55/264135455.db2.gz BUZQQOUUJGRWTF-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000346997145 264136366 /nfs/dbraw/zinc/13/63/66/264136366.db2.gz CKDMLELGUKUAGG-INIZCTEOSA-N 2 1 312.461 3.037 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000346997145 264136368 /nfs/dbraw/zinc/13/63/68/264136368.db2.gz CKDMLELGUKUAGG-INIZCTEOSA-N 2 1 312.461 3.037 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1[NH3+] ZINC000347004356 264138026 /nfs/dbraw/zinc/13/80/26/264138026.db2.gz AZNRNCDQHXUFEN-QAPCUYQASA-N 2 1 320.440 3.195 20 0 DGADMP CCC[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH2+]CC1 ZINC000347012193 264140008 /nfs/dbraw/zinc/14/00/08/264140008.db2.gz VBCCQQAFEZZBLY-UHFFFAOYSA-N 2 1 312.404 3.295 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000347031226 264143754 /nfs/dbraw/zinc/14/37/54/264143754.db2.gz YORDXAXUUPHMRO-JTQLQIEISA-N 2 1 304.331 3.404 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000347035360 264144817 /nfs/dbraw/zinc/14/48/17/264144817.db2.gz GOLDJNURTQHPKQ-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000347035360 264144819 /nfs/dbraw/zinc/14/48/19/264144819.db2.gz GOLDJNURTQHPKQ-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347038965 264145230 /nfs/dbraw/zinc/14/52/30/264145230.db2.gz JDCRXXVZWXFZIX-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000347038965 264145234 /nfs/dbraw/zinc/14/52/34/264145234.db2.gz JDCRXXVZWXFZIX-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)C[C@H]1C ZINC000347061409 264150130 /nfs/dbraw/zinc/15/01/30/264150130.db2.gz UOQFSLJCONFRTB-JLSDUUJJSA-N 2 1 324.896 3.048 20 0 DGADMP C[N@@H+](Cc1cccc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000347078633 264152629 /nfs/dbraw/zinc/15/26/29/264152629.db2.gz WFICDQYCEMBVRS-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347086289 264153696 /nfs/dbraw/zinc/15/36/96/264153696.db2.gz DTUSHINUCKEXFG-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000347093899 264156014 /nfs/dbraw/zinc/15/60/14/264156014.db2.gz HGCCGPJBUUUDLU-ZFWWWQNUSA-N 2 1 301.459 3.369 20 0 DGADMP CCCOc1ccc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1OC ZINC000347111728 264159206 /nfs/dbraw/zinc/15/92/06/264159206.db2.gz OPWCHEYDXXYYON-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CC[NH2+]CC1 ZINC000347115937 264159847 /nfs/dbraw/zinc/15/98/47/264159847.db2.gz UHUZTUOEJNAFFY-UHFFFAOYSA-N 2 1 320.440 3.209 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](C[NH3+])C3)s2)cc1 ZINC000347123022 264161059 /nfs/dbraw/zinc/16/10/59/264161059.db2.gz WQDYODZEFVYPNE-CQSZACIVSA-N 2 1 301.459 3.289 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](C[NH3+])C3)s2)cc1 ZINC000347123022 264161060 /nfs/dbraw/zinc/16/10/60/264161060.db2.gz WQDYODZEFVYPNE-CQSZACIVSA-N 2 1 301.459 3.289 20 0 DGADMP COC1CC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000347246643 264182223 /nfs/dbraw/zinc/18/22/23/264182223.db2.gz WZPZKXUWEXXXNT-MNNVXMFVSA-N 2 1 302.462 3.328 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347472908 264226571 /nfs/dbraw/zinc/22/65/71/264226571.db2.gz KWOJCQYHJKRCHM-ZWKOTPCHSA-N 2 1 313.445 3.369 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347472908 264226573 /nfs/dbraw/zinc/22/65/73/264226573.db2.gz KWOJCQYHJKRCHM-ZWKOTPCHSA-N 2 1 313.445 3.369 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000347839542 264292473 /nfs/dbraw/zinc/29/24/73/264292473.db2.gz CMCDAFGBFOZMIV-QGZVFWFLSA-N 2 1 310.445 3.281 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000347839542 264292475 /nfs/dbraw/zinc/29/24/75/264292475.db2.gz CMCDAFGBFOZMIV-QGZVFWFLSA-N 2 1 310.445 3.281 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1 ZINC000347914581 264305075 /nfs/dbraw/zinc/30/50/75/264305075.db2.gz YMRICXHPCDLRBV-HUUCEWRRSA-N 2 1 321.428 3.253 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000347996959 264320264 /nfs/dbraw/zinc/32/02/64/264320264.db2.gz CDQKJOOCRXWDKI-WMLDXEAASA-N 2 1 310.445 3.068 20 0 DGADMP CCC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043042 264327471 /nfs/dbraw/zinc/32/74/71/264327471.db2.gz KRXYCALGYSRJIN-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043042 264327473 /nfs/dbraw/zinc/32/74/73/264327473.db2.gz KRXYCALGYSRJIN-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043042 264327475 /nfs/dbraw/zinc/32/74/75/264327475.db2.gz KRXYCALGYSRJIN-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000348043042 264327476 /nfs/dbraw/zinc/32/74/76/264327476.db2.gz KRXYCALGYSRJIN-SJORKVTESA-N 2 1 318.461 3.023 20 0 DGADMP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043029 264327857 /nfs/dbraw/zinc/32/78/57/264327857.db2.gz KRXYCALGYSRJIN-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043029 264327859 /nfs/dbraw/zinc/32/78/59/264327859.db2.gz KRXYCALGYSRJIN-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043029 264327861 /nfs/dbraw/zinc/32/78/61/264327861.db2.gz KRXYCALGYSRJIN-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000348043029 264327863 /nfs/dbraw/zinc/32/78/63/264327863.db2.gz KRXYCALGYSRJIN-DLBZAZTESA-N 2 1 318.461 3.023 20 0 DGADMP C[C@@H](NCc1ccc(F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071340 264334229 /nfs/dbraw/zinc/33/42/29/264334229.db2.gz DPIPYFCZNHPFIA-WBVHZDCISA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348071340 264334230 /nfs/dbraw/zinc/33/42/30/264334230.db2.gz DPIPYFCZNHPFIA-WBVHZDCISA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071340 264334231 /nfs/dbraw/zinc/33/42/31/264334231.db2.gz DPIPYFCZNHPFIA-WBVHZDCISA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348076435 264334917 /nfs/dbraw/zinc/33/49/17/264334917.db2.gz CXYFYFARGURRSV-LXTVHRRPSA-N 2 1 322.415 3.054 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000348086042 264336497 /nfs/dbraw/zinc/33/64/97/264336497.db2.gz NRZHFVKOOASJPH-LJQANCHMSA-N 2 1 301.478 3.177 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000348086042 264336501 /nfs/dbraw/zinc/33/65/01/264336501.db2.gz NRZHFVKOOASJPH-LJQANCHMSA-N 2 1 301.478 3.177 20 0 DGADMP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096607 264339501 /nfs/dbraw/zinc/33/95/01/264339501.db2.gz NFTZQLKKUWBQRS-OTBHMBEGSA-N 2 1 316.489 3.038 20 0 DGADMP COC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1F ZINC000348099623 264339909 /nfs/dbraw/zinc/33/99/09/264339909.db2.gz CCGJGAKTOGEIIU-HUBLWGQQSA-N 2 1 314.832 3.239 20 0 DGADMP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348330699 264391871 /nfs/dbraw/zinc/39/18/71/264391871.db2.gz OQZJXRZWAFQTJY-NSISKUIASA-N 2 1 307.441 3.206 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)cc1 ZINC000349408348 264518976 /nfs/dbraw/zinc/51/89/76/264518976.db2.gz POBSIXLRIJDYJC-UHFFFAOYSA-N 2 1 304.356 3.359 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)cc1 ZINC000349408348 264518977 /nfs/dbraw/zinc/51/89/77/264518977.db2.gz POBSIXLRIJDYJC-UHFFFAOYSA-N 2 1 304.356 3.359 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429386 265046716 /nfs/dbraw/zinc/04/67/16/265046716.db2.gz BBOMVTWTGQZVKY-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429386 265046719 /nfs/dbraw/zinc/04/67/19/265046719.db2.gz BBOMVTWTGQZVKY-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429386 265046721 /nfs/dbraw/zinc/04/67/21/265046721.db2.gz BBOMVTWTGQZVKY-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000352429386 265046723 /nfs/dbraw/zinc/04/67/23/265046723.db2.gz BBOMVTWTGQZVKY-UXHICEINSA-N 2 1 321.468 3.344 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(F)c3)CC2)s1 ZINC000352786816 265165931 /nfs/dbraw/zinc/16/59/31/265165931.db2.gz KGABKYXEKCJGRZ-UHFFFAOYSA-N 2 1 319.449 3.165 20 0 DGADMP Cc1[nH+]ccc(N2CCC(Cc3[nH+]ccn3C)CC2)c1Cl ZINC000352830597 265185084 /nfs/dbraw/zinc/18/50/84/265185084.db2.gz VTIQGTFTFMKASC-UHFFFAOYSA-N 2 1 304.825 3.236 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128564 265308958 /nfs/dbraw/zinc/30/89/58/265308958.db2.gz ROXKDAFVYQMFHF-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000353128564 265308967 /nfs/dbraw/zinc/30/89/67/265308967.db2.gz ROXKDAFVYQMFHF-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353128564 265308971 /nfs/dbraw/zinc/30/89/71/265308971.db2.gz ROXKDAFVYQMFHF-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353128564 265308974 /nfs/dbraw/zinc/30/89/74/265308974.db2.gz ROXKDAFVYQMFHF-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP FCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353454786 265434354 /nfs/dbraw/zinc/43/43/54/265434354.db2.gz LSSSUYIJBZFMKU-RTBURBONSA-N 2 1 320.452 3.137 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCC1 ZINC000354514847 265794626 /nfs/dbraw/zinc/79/46/26/265794626.db2.gz RXLMNKCLTOANHI-PWIZWCRZSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCC1 ZINC000354514847 265794630 /nfs/dbraw/zinc/79/46/30/265794630.db2.gz RXLMNKCLTOANHI-PWIZWCRZSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCCC1 ZINC000354514848 265795321 /nfs/dbraw/zinc/79/53/21/265795321.db2.gz RXLMNKCLTOANHI-VDGAXYAQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCCC1 ZINC000354514848 265795325 /nfs/dbraw/zinc/79/53/25/265795325.db2.gz RXLMNKCLTOANHI-VDGAXYAQSA-N 2 1 316.489 3.038 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000355229110 266008065 /nfs/dbraw/zinc/00/80/65/266008065.db2.gz YGFFNKTZMVOYHF-HHXXYDBFSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2ccccc2o1 ZINC000355229110 266008073 /nfs/dbraw/zinc/00/80/73/266008073.db2.gz YGFFNKTZMVOYHF-HHXXYDBFSA-N 2 1 314.429 3.116 20 0 DGADMP COC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752973 266173587 /nfs/dbraw/zinc/17/35/87/266173587.db2.gz XWYZKBIWJJXUJZ-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752973 266173588 /nfs/dbraw/zinc/17/35/88/266173588.db2.gz XWYZKBIWJJXUJZ-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355752973 266173590 /nfs/dbraw/zinc/17/35/90/266173590.db2.gz XWYZKBIWJJXUJZ-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355752973 266173591 /nfs/dbraw/zinc/17/35/91/266173591.db2.gz XWYZKBIWJJXUJZ-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)n[nH]c2C)CC1)CC1CC1 ZINC000355890033 266220118 /nfs/dbraw/zinc/22/01/18/266220118.db2.gz MOHARDFIDCPEHB-UHFFFAOYSA-N 2 1 318.509 3.361 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1csc(Cl)c1 ZINC000191269078 432241831 /nfs/dbraw/zinc/24/18/31/432241831.db2.gz UHBCXJPTNSHJPH-CYBMUJFWSA-N 2 1 315.914 3.080 20 0 DGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)s1 ZINC000151378037 432243322 /nfs/dbraw/zinc/24/33/22/432243322.db2.gz ZRMAASWXXHMZLH-ZDUSSCGKSA-N 2 1 316.898 3.289 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000362518820 271039986 /nfs/dbraw/zinc/03/99/86/271039986.db2.gz JVDOUQKEZJBDEO-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000367697894 271066353 /nfs/dbraw/zinc/06/63/53/271066353.db2.gz DJTSXLRTWVBDLM-SJLPKXTDSA-N 2 1 318.509 3.171 20 0 DGADMP C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367926887 271097829 /nfs/dbraw/zinc/09/78/29/271097829.db2.gz AKBQUQGQUOGAAA-NVXWUHKLSA-N 2 1 304.503 3.382 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(C(C)C)CC3)C2)CC1 ZINC000368022110 271117023 /nfs/dbraw/zinc/11/70/23/271117023.db2.gz NBSQWGQKMAVSDM-MHJFOBGBSA-N 2 1 321.553 3.161 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000368378861 271152162 /nfs/dbraw/zinc/15/21/62/271152162.db2.gz RWFTVZOQFQULNM-VBJONLRCSA-N 2 1 320.481 3.114 20 0 DGADMP Cc1noc(C2CCC([NH2+][C@@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000368378861 271152164 /nfs/dbraw/zinc/15/21/64/271152164.db2.gz RWFTVZOQFQULNM-VBJONLRCSA-N 2 1 320.481 3.114 20 0 DGADMP Cc1noc(C)c1CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531171 271164932 /nfs/dbraw/zinc/16/49/32/271164932.db2.gz UATHSQKTTXACGU-IBGZPJMESA-N 2 1 313.445 3.293 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000247943334 432253868 /nfs/dbraw/zinc/25/38/68/432253868.db2.gz DEJOXYCBAZYJQV-KYHPRHEASA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943334 432253872 /nfs/dbraw/zinc/25/38/72/432253872.db2.gz DEJOXYCBAZYJQV-KYHPRHEASA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943334 432253874 /nfs/dbraw/zinc/25/38/74/432253874.db2.gz DEJOXYCBAZYJQV-KYHPRHEASA-N 2 1 321.534 3.203 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423473221 273750548 /nfs/dbraw/zinc/75/05/48/273750548.db2.gz QPVAFHBRCWMVCE-ZANVPECISA-N 2 1 317.658 3.417 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000247938530 432255264 /nfs/dbraw/zinc/25/52/64/432255264.db2.gz CTLPOUQJZJPDAK-VJAOCGABSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000270537344 432256039 /nfs/dbraw/zinc/25/60/39/432256039.db2.gz WUHNLEFCOJALIZ-DLBZAZTESA-N 2 1 304.478 3.342 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000247975032 432258039 /nfs/dbraw/zinc/25/80/39/432258039.db2.gz KRRNEGMWDMEEDU-IXDOHACOSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000247975032 432258041 /nfs/dbraw/zinc/25/80/41/432258041.db2.gz KRRNEGMWDMEEDU-IXDOHACOSA-N 2 1 321.534 3.205 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H](C)C1 ZINC000247975032 432258035 /nfs/dbraw/zinc/25/80/35/432258035.db2.gz KRRNEGMWDMEEDU-IXDOHACOSA-N 2 1 321.534 3.205 20 0 DGADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])c(-c2ccccc2)cc1OC ZINC000414810569 274094024 /nfs/dbraw/zinc/09/40/24/274094024.db2.gz XXOOMEJENPYLNQ-UHFFFAOYSA-N 2 1 314.429 3.198 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422878569 274110291 /nfs/dbraw/zinc/11/02/91/274110291.db2.gz KHNBFSGAEXDLEW-HUUCEWRRSA-N 2 1 316.367 3.464 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)CC2 ZINC000162602876 274124573 /nfs/dbraw/zinc/12/45/73/274124573.db2.gz UWIPBQROBNJWOH-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)CC2 ZINC000162602876 274124575 /nfs/dbraw/zinc/12/45/75/274124575.db2.gz UWIPBQROBNJWOH-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414201755 274135759 /nfs/dbraw/zinc/13/57/59/274135759.db2.gz YOZGDXPPMQBAQF-DNVCBOLYSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059692 274286536 /nfs/dbraw/zinc/28/65/36/274286536.db2.gz MWVHGJQEAFIXTK-CABCVRRESA-N 2 1 313.449 3.049 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059692 274286537 /nfs/dbraw/zinc/28/65/37/274286537.db2.gz MWVHGJQEAFIXTK-CABCVRRESA-N 2 1 313.449 3.049 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000248830991 274340315 /nfs/dbraw/zinc/34/03/15/274340315.db2.gz MLNXSAKDOQCLIO-PTGCCPEKSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000268992459 274355189 /nfs/dbraw/zinc/35/51/89/274355189.db2.gz MSFVDWLQOADVFS-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247980639 432259294 /nfs/dbraw/zinc/25/92/94/432259294.db2.gz MLPYVDVWEPNRTB-LNLFQRSKSA-N 2 1 304.478 3.474 20 0 DGADMP Brc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420310058 275374665 /nfs/dbraw/zinc/37/46/65/275374665.db2.gz UUIFBYLEGWCGDC-CYBMUJFWSA-N 2 1 323.278 3.197 20 0 DGADMP C1C[NH2+][C@@H]([C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000422823835 275415067 /nfs/dbraw/zinc/41/50/67/275415067.db2.gz MJGBBUREBPRDCL-VAMGGRTRSA-N 3 1 319.537 3.294 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422780009 276110068 /nfs/dbraw/zinc/11/00/68/276110068.db2.gz GNPPZGBPBYPPSF-OALUTQOASA-N 3 1 303.494 3.278 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)=C[C@H](C)C2)CC1 ZINC000430876560 276203341 /nfs/dbraw/zinc/20/33/41/276203341.db2.gz RGPBBYYKMWIKOO-KRWDZBQOSA-N 2 1 313.489 3.227 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000273398154 276230657 /nfs/dbraw/zinc/23/06/57/276230657.db2.gz FZSLVQKMPHNUPJ-VLQPXKRTSA-N 2 1 320.452 3.366 20 0 DGADMP CC[N@H+]1C[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000343034129 276253176 /nfs/dbraw/zinc/25/31/76/276253176.db2.gz MHRQJTOMJCPNBY-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@@H+]1C[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000343034129 276253178 /nfs/dbraw/zinc/25/31/78/276253178.db2.gz MHRQJTOMJCPNBY-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccsc1 ZINC000443097477 276271736 /nfs/dbraw/zinc/27/17/36/276271736.db2.gz VFEFUVXIIQUNEZ-DLBZAZTESA-N 2 1 310.507 3.272 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](COC)C2CCCC2)c1 ZINC000446828016 276308504 /nfs/dbraw/zinc/30/85/04/276308504.db2.gz RDVVSYFSOQIMEE-LJQANCHMSA-N 2 1 304.478 3.433 20 0 DGADMP C([NH2+][C@@H]1CCCC12CCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000449224808 276813864 /nfs/dbraw/zinc/81/38/64/276813864.db2.gz MXEPHRXOEPNUMZ-QGZVFWFLSA-N 2 1 306.494 3.334 20 0 DGADMP CC(C)C1CCC([NH+]2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000414701517 277340775 /nfs/dbraw/zinc/34/07/75/277340775.db2.gz HOZZXENHZHVRLO-VCAKUFKGSA-N 2 1 321.553 3.207 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422999143 277397005 /nfs/dbraw/zinc/39/70/05/277397005.db2.gz RYNJRFNRMUYYIQ-OTWHNJEPSA-N 2 1 309.542 3.255 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422999143 277397006 /nfs/dbraw/zinc/39/70/06/277397006.db2.gz RYNJRFNRMUYYIQ-OTWHNJEPSA-N 3 1 309.542 3.255 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422999143 277397008 /nfs/dbraw/zinc/39/70/08/277397008.db2.gz RYNJRFNRMUYYIQ-OTWHNJEPSA-N 3 1 309.542 3.255 20 0 DGADMP Brc1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000274981408 277667867 /nfs/dbraw/zinc/66/78/67/277667867.db2.gz ZFQBERMVEOXLKN-CYBMUJFWSA-N 2 1 324.266 3.299 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000414917880 277686040 /nfs/dbraw/zinc/68/60/40/277686040.db2.gz SHSWGBVDCSOSTM-BHIYHBOVSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000336719373 278169659 /nfs/dbraw/zinc/16/96/59/278169659.db2.gz RYRUPTDLASMXCQ-IEBWSBKVSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000261777219 278216210 /nfs/dbraw/zinc/21/62/10/278216210.db2.gz RLQCYGLKTARYAR-SQNIBIBYSA-N 2 1 319.493 3.317 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882939 278358388 /nfs/dbraw/zinc/35/83/88/278358388.db2.gz PPTOKNPDUBRFJK-MBOZVWFJSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000422695042 278364970 /nfs/dbraw/zinc/36/49/70/278364970.db2.gz OXOLXQSHHMMVQL-FRRDWIJNSA-N 2 1 311.267 3.488 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000423218025 278365812 /nfs/dbraw/zinc/36/58/12/278365812.db2.gz RARCWJBNXUZUFV-FRRDWIJNSA-N 2 1 320.868 3.265 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414777772 279321050 /nfs/dbraw/zinc/32/10/50/279321050.db2.gz YJJVDDPXKRRTFN-XNRPHZJLSA-N 2 1 312.379 3.493 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000261777214 279371662 /nfs/dbraw/zinc/37/16/62/279371662.db2.gz RLQCYGLKTARYAR-KZNAEPCWSA-N 2 1 319.493 3.317 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307803 431275410 /nfs/dbraw/zinc/27/54/10/431275410.db2.gz RGQZNLNBDHLHTN-GIPNMCIBSA-N 2 1 317.296 3.329 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000071307803 431275413 /nfs/dbraw/zinc/27/54/13/431275413.db2.gz RGQZNLNBDHLHTN-GIPNMCIBSA-N 2 1 317.296 3.329 20 0 DGADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000113005461 431323975 /nfs/dbraw/zinc/32/39/75/431323975.db2.gz VRKKZYUGLBOKIG-GOSISDBHSA-N 2 1 302.462 3.198 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC000115628074 431467241 /nfs/dbraw/zinc/46/72/41/431467241.db2.gz VCCZRPVWOYDCDD-QAPCUYQASA-N 2 1 308.441 3.052 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000076001361 431515828 /nfs/dbraw/zinc/51/58/28/431515828.db2.gz MOGVCLRXLJEENH-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000076001361 431515835 /nfs/dbraw/zinc/51/58/35/431515835.db2.gz MOGVCLRXLJEENH-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP C[C@H]1CCN(CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000076120074 431528774 /nfs/dbraw/zinc/52/87/74/431528774.db2.gz GRGXXYSDEASTPB-IBGZPJMESA-N 2 1 315.505 3.069 20 0 DGADMP Fc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834580 431499127 /nfs/dbraw/zinc/49/91/27/431499127.db2.gz UXNOHKBZZAKYDH-INIZCTEOSA-N 2 1 306.425 3.012 20 0 DGADMP Fc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834580 431499133 /nfs/dbraw/zinc/49/91/33/431499133.db2.gz UXNOHKBZZAKYDH-INIZCTEOSA-N 2 1 306.425 3.012 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000076002264 431515394 /nfs/dbraw/zinc/51/53/94/431515394.db2.gz KTRGXIDNSSGKHF-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000076002264 431515398 /nfs/dbraw/zinc/51/53/98/431515398.db2.gz KTRGXIDNSSGKHF-OAHLLOKOSA-N 2 1 310.869 3.383 20 0 DGADMP COc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446357 431548390 /nfs/dbraw/zinc/54/83/90/431548390.db2.gz YGCGPJHQHOBVAF-GOSISDBHSA-N 2 1 310.441 3.307 20 0 DGADMP COc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446357 431548399 /nfs/dbraw/zinc/54/83/99/431548399.db2.gz YGCGPJHQHOBVAF-GOSISDBHSA-N 2 1 310.441 3.307 20 0 DGADMP CC[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422855066 280190712 /nfs/dbraw/zinc/19/07/12/280190712.db2.gz DGYDMGXXJXZALQ-MOPGFXCFSA-N 2 1 303.494 3.147 20 0 DGADMP Cc1cc(Br)c2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000262003702 280307007 /nfs/dbraw/zinc/30/70/07/280307007.db2.gz UILZZQFEFFVYON-UHFFFAOYSA-N 2 1 323.278 3.115 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036996 280333295 /nfs/dbraw/zinc/33/32/95/280333295.db2.gz RYMYORVAPYQTSR-OGWOLHLISA-N 2 1 318.461 3.227 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036996 280333296 /nfs/dbraw/zinc/33/32/96/280333296.db2.gz RYMYORVAPYQTSR-OGWOLHLISA-N 2 1 318.461 3.227 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167211 431655673 /nfs/dbraw/zinc/65/56/73/431655673.db2.gz BXIFYCGRFCRPKL-YRGRVCCFSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167211 431655677 /nfs/dbraw/zinc/65/56/77/431655677.db2.gz BXIFYCGRFCRPKL-YRGRVCCFSA-N 2 1 316.367 3.404 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633028 431798186 /nfs/dbraw/zinc/79/81/86/431798186.db2.gz IPNMAIBXDKUZGU-IBGZPJMESA-N 2 1 316.489 3.428 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633028 431798194 /nfs/dbraw/zinc/79/81/94/431798194.db2.gz IPNMAIBXDKUZGU-IBGZPJMESA-N 2 1 316.489 3.428 20 0 DGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633028 431798201 /nfs/dbraw/zinc/79/82/01/431798201.db2.gz IPNMAIBXDKUZGU-IBGZPJMESA-N 2 1 316.489 3.428 20 0 DGADMP [NH3+]C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000032071007 431772366 /nfs/dbraw/zinc/77/23/66/431772366.db2.gz JROHCKXRSKDSPP-UHFFFAOYSA-N 2 1 314.404 3.328 20 0 DGADMP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000123099009 431855128 /nfs/dbraw/zinc/85/51/28/431855128.db2.gz HSHBCUHSNAPDRL-UXHICEINSA-N 2 1 316.489 3.241 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089145424 431860319 /nfs/dbraw/zinc/86/03/19/431860319.db2.gz LPVOYILAYGYKCQ-IINYFYTJSA-N 2 1 315.230 3.195 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@@H]1CCC[NH+]1C ZINC000089428581 431865346 /nfs/dbraw/zinc/86/53/46/431865346.db2.gz WRJHHZHLEOOSIV-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000089428581 431865348 /nfs/dbraw/zinc/86/53/48/431865348.db2.gz WRJHHZHLEOOSIV-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000089428581 431865350 /nfs/dbraw/zinc/86/53/50/431865350.db2.gz WRJHHZHLEOOSIV-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CC[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)N(C)C ZINC000125028279 431912053 /nfs/dbraw/zinc/91/20/53/431912053.db2.gz UVHBRABYVRRGNJ-OAHLLOKOSA-N 2 1 300.406 3.109 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000125101076 431913533 /nfs/dbraw/zinc/91/35/33/431913533.db2.gz LQRKPYXDDKNCDU-HNNXBMFYSA-N 2 1 302.462 3.233 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000125216725 431917771 /nfs/dbraw/zinc/91/77/71/431917771.db2.gz ZYMKMRXMFIYUKA-UHFFFAOYSA-N 2 1 312.404 3.247 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000125216725 431917774 /nfs/dbraw/zinc/91/77/74/431917774.db2.gz ZYMKMRXMFIYUKA-UHFFFAOYSA-N 2 1 312.404 3.247 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CSCCS3)CC2)cc1 ZINC000125231952 431918021 /nfs/dbraw/zinc/91/80/21/431918021.db2.gz BARIIFXXJUDHNN-KRWDZBQOSA-N 2 1 322.543 3.089 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000125471487 431926439 /nfs/dbraw/zinc/92/64/39/431926439.db2.gz BBDUABMPFSSAED-QGZVFWFLSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000125471487 431926440 /nfs/dbraw/zinc/92/64/40/431926440.db2.gz BBDUABMPFSSAED-QGZVFWFLSA-N 2 1 302.462 3.392 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000125433404 431924669 /nfs/dbraw/zinc/92/46/69/431924669.db2.gz YAJQJPRQXXBFIB-UHFFFAOYSA-N 2 1 312.461 3.102 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000124349053 431891019 /nfs/dbraw/zinc/89/10/19/431891019.db2.gz ADRNBGPZMZMNSM-CVEARBPZSA-N 2 1 310.445 3.007 20 0 DGADMP Cc1sc(CC[NH2+]C2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000090400003 431891554 /nfs/dbraw/zinc/89/15/54/431891554.db2.gz MZSMVDPCOFMURC-UHFFFAOYSA-N 2 1 315.486 3.345 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000090919205 431897651 /nfs/dbraw/zinc/89/76/51/431897651.db2.gz ISKFHBHFKYTFQV-XNJGSVPQSA-N 2 1 308.416 3.315 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)[C@H](C)C1 ZINC000090919128 431897660 /nfs/dbraw/zinc/89/76/60/431897660.db2.gz RGECXNJOKIHKIU-DYVFJYSZSA-N 2 1 308.416 3.316 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090948928 431898538 /nfs/dbraw/zinc/89/85/38/431898538.db2.gz JEWHXHKMPKLMPF-VNHYZAJKSA-N 2 1 309.523 3.301 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127776134 431980797 /nfs/dbraw/zinc/98/07/97/431980797.db2.gz UNYXGWPLYKXXTD-WOJBJXKFSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127776134 431980798 /nfs/dbraw/zinc/98/07/98/431980798.db2.gz UNYXGWPLYKXXTD-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127776134 431980800 /nfs/dbraw/zinc/98/08/00/431980800.db2.gz UNYXGWPLYKXXTD-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127669475 431978284 /nfs/dbraw/zinc/97/82/84/431978284.db2.gz DTGCKOHNOIWIJH-VAMGGRTRSA-N 2 1 315.505 3.286 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000125496947 431927367 /nfs/dbraw/zinc/92/73/67/431927367.db2.gz KYECOUHDVIURBV-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000125496947 431927370 /nfs/dbraw/zinc/92/73/70/431927370.db2.gz KYECOUHDVIURBV-ZDUSSCGKSA-N 2 1 318.852 3.114 20 0 DGADMP CC(C)CCOCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000098122946 431979942 /nfs/dbraw/zinc/97/99/42/431979942.db2.gz JGGOMJJZANMYEA-UHFFFAOYSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000051919510 431953279 /nfs/dbraw/zinc/95/32/79/431953279.db2.gz STGSXEBSPZIGMY-CYBMUJFWSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127780054 431980759 /nfs/dbraw/zinc/98/07/59/431980759.db2.gz LIDDIBJWVFCCKZ-IIYDPXPESA-N 2 1 303.425 3.168 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC3 ZINC000493232865 281037019 /nfs/dbraw/zinc/03/70/19/281037019.db2.gz SSUBKKUAALPRLH-OAGGEKHMSA-N 2 1 311.473 3.406 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC3 ZINC000493232865 281037020 /nfs/dbraw/zinc/03/70/20/281037020.db2.gz SSUBKKUAALPRLH-OAGGEKHMSA-N 2 1 311.473 3.406 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cncs3)CC2)[nH+]1 ZINC000128128067 431987867 /nfs/dbraw/zinc/98/78/67/431987867.db2.gz HFGGUWBIHGNQEL-ZDUSSCGKSA-N 2 1 302.447 3.166 20 0 DGADMP CC1(C)C[NH+](CCC[N@@H+]2CCSC(C)(C)C2)CCS1 ZINC000177521894 281235857 /nfs/dbraw/zinc/23/58/57/281235857.db2.gz YEDARMYDSQEKGH-UHFFFAOYSA-N 2 1 302.553 3.031 20 0 DGADMP CC1(C)C[NH+](CCC[N@H+]2CCSC(C)(C)C2)CCS1 ZINC000177521894 281235860 /nfs/dbraw/zinc/23/58/60/281235860.db2.gz YEDARMYDSQEKGH-UHFFFAOYSA-N 2 1 302.553 3.031 20 0 DGADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000423144844 281300248 /nfs/dbraw/zinc/30/02/48/281300248.db2.gz ZPRYJZZIJQLRCW-XUVXKRRUSA-N 2 1 322.452 3.381 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000128426501 431993551 /nfs/dbraw/zinc/99/35/51/431993551.db2.gz QSPXQKPHKDSIEV-OAHLLOKOSA-N 2 1 309.885 3.018 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000162164278 281342213 /nfs/dbraw/zinc/34/22/13/281342213.db2.gz WZXFURIGONCWMJ-KRWDZBQOSA-N 2 1 316.489 3.364 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000191489403 432271156 /nfs/dbraw/zinc/27/11/56/432271156.db2.gz SJYSAXLQMQGSFL-MRXNPFEDSA-N 2 1 306.475 3.308 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000248185713 432274744 /nfs/dbraw/zinc/27/47/44/432274744.db2.gz XHJTUPCGILOLKN-PMPSAXMXSA-N 2 1 321.896 3.381 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000248185713 432274750 /nfs/dbraw/zinc/27/47/50/432274750.db2.gz XHJTUPCGILOLKN-PMPSAXMXSA-N 2 1 321.896 3.381 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000248199626 432275456 /nfs/dbraw/zinc/27/54/56/432275456.db2.gz YFMPYWCFIRVPQG-JQHSSLGASA-N 2 1 319.468 3.175 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000248199626 432275459 /nfs/dbraw/zinc/27/54/59/432275459.db2.gz YFMPYWCFIRVPQG-JQHSSLGASA-N 2 1 319.468 3.175 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000270689846 432277031 /nfs/dbraw/zinc/27/70/31/432277031.db2.gz WAFLYYKAZNDRDX-UHFFFAOYSA-N 2 1 301.409 3.428 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000270689846 432277036 /nfs/dbraw/zinc/27/70/36/432277036.db2.gz WAFLYYKAZNDRDX-UHFFFAOYSA-N 2 1 301.409 3.428 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000248403042 432287025 /nfs/dbraw/zinc/28/70/25/432287025.db2.gz OAVDYFDGAFKHSG-MUGJNUQGSA-N 2 1 314.473 3.056 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1(C)C ZINC000248411804 432287339 /nfs/dbraw/zinc/28/73/39/432287339.db2.gz ZRSCIWGZLPPAHG-XYVMCAHJSA-N 2 1 308.510 3.433 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151902912 432287460 /nfs/dbraw/zinc/28/74/60/432287460.db2.gz PKYONYPUKOHBHN-OAHLLOKOSA-N 2 1 320.481 3.163 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248441776 432292613 /nfs/dbraw/zinc/29/26/13/432292613.db2.gz KLFLZRUWBYLGMC-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000248442232 432292966 /nfs/dbraw/zinc/29/29/66/432292966.db2.gz KSEXUVAJAJNPHK-CRAIPNDOSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000248442232 432292971 /nfs/dbraw/zinc/29/29/71/432292971.db2.gz KSEXUVAJAJNPHK-CRAIPNDOSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000128656573 431997917 /nfs/dbraw/zinc/99/79/17/431997917.db2.gz YWOFAOFBPCNVKX-IBGZPJMESA-N 2 1 317.521 3.290 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3ccc(OC)cc32)C1 ZINC000248816798 432320387 /nfs/dbraw/zinc/32/03/87/432320387.db2.gz IMMJOQKUBFBOCR-BBRMVZONSA-N 2 1 306.475 3.164 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCCn2cc(C)cn2)C1 ZINC000174227012 432329857 /nfs/dbraw/zinc/32/98/57/432329857.db2.gz OJEYFRBQLRNYNV-GOSISDBHSA-N 2 1 306.498 3.026 20 0 DGADMP C[C@@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000192087246 432331939 /nfs/dbraw/zinc/33/19/39/432331939.db2.gz RKAFSGFPJYGFNI-CABCVRRESA-N 2 1 317.477 3.373 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000152113798 432305294 /nfs/dbraw/zinc/30/52/94/432305294.db2.gz CIDKQZBKRDWTAJ-INIZCTEOSA-N 2 1 308.416 3.315 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000152113798 432305299 /nfs/dbraw/zinc/30/52/99/432305299.db2.gz CIDKQZBKRDWTAJ-INIZCTEOSA-N 2 1 308.416 3.315 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H](C)C1 ZINC000191855588 432308245 /nfs/dbraw/zinc/30/82/45/432308245.db2.gz KCSJBNNFCOLILW-LULLPPNCSA-N 2 1 302.462 3.084 20 0 DGADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc21 ZINC000248649290 432310420 /nfs/dbraw/zinc/31/04/20/432310420.db2.gz VJJPLHOGEFMWEK-SJORKVTESA-N 2 1 315.436 3.076 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000192439105 432374283 /nfs/dbraw/zinc/37/42/83/432374283.db2.gz DEWSDSRMCPTYAD-ABHNRTSZSA-N 2 1 324.509 3.064 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000252633199 432384140 /nfs/dbraw/zinc/38/41/40/432384140.db2.gz CPBJQPLHYCSQDF-GJZGRUSLSA-N 2 1 323.278 3.474 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153346456 432400275 /nfs/dbraw/zinc/40/02/75/432400275.db2.gz COVBEVGVYICLML-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153346456 432400280 /nfs/dbraw/zinc/40/02/80/432400280.db2.gz COVBEVGVYICLML-QAPCUYQASA-N 2 1 317.477 3.223 20 0 DGADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559248 432430597 /nfs/dbraw/zinc/43/05/97/432430597.db2.gz SYPXBYLQGSABII-WMQCIHAUSA-N 2 1 321.468 3.243 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000261553108 432430969 /nfs/dbraw/zinc/43/09/69/432430969.db2.gz ADGFOZHMDYUXOQ-CYBMUJFWSA-N 2 1 315.230 3.066 20 0 DGADMP CCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000261643119 432436960 /nfs/dbraw/zinc/43/69/60/432436960.db2.gz IXGPENWTPDJJDT-UHFFFAOYSA-N 2 1 324.852 3.075 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(N)c2)C1 ZINC000261686817 432440497 /nfs/dbraw/zinc/44/04/97/432440497.db2.gz MMCRGXQQUDWMDR-AEFFLSMTSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261686817 432440502 /nfs/dbraw/zinc/44/05/02/432440502.db2.gz MMCRGXQQUDWMDR-AEFFLSMTSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261686817 432440506 /nfs/dbraw/zinc/44/05/06/432440506.db2.gz MMCRGXQQUDWMDR-AEFFLSMTSA-N 2 1 301.478 3.355 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000261684839 432440739 /nfs/dbraw/zinc/44/07/39/432440739.db2.gz IMEXSZRQPNYQSZ-RCCFBDPRSA-N 2 1 318.461 3.104 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261751144 432447132 /nfs/dbraw/zinc/44/71/32/432447132.db2.gz QCVRSZZRPSLTRF-RYGJVYDSSA-N 2 1 310.441 3.225 20 0 DGADMP COc1ccc([C@@H](C)C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261751144 432447135 /nfs/dbraw/zinc/44/71/35/432447135.db2.gz QCVRSZZRPSLTRF-RYGJVYDSSA-N 2 1 310.441 3.225 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1)C(C)C ZINC000153818434 432447406 /nfs/dbraw/zinc/44/74/06/432447406.db2.gz AVRSPJWFEUYECZ-UHFFFAOYSA-N 2 1 319.493 3.035 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193085720 432447422 /nfs/dbraw/zinc/44/74/22/432447422.db2.gz YXEZEMWCEFGUQV-GFCCVEGCSA-N 2 1 316.430 3.334 20 0 DGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000261770373 432448020 /nfs/dbraw/zinc/44/80/20/432448020.db2.gz DQNCNQMZYLGROP-SJORKVTESA-N 2 1 317.477 3.115 20 0 DGADMP CC[N@H+](Cc1nc2ccc(OC)cc2s1)[C@H]1CCC[NH2+]CC1 ZINC000261757022 432448742 /nfs/dbraw/zinc/44/87/42/432448742.db2.gz CPVMXQQKVHNEFR-ZDUSSCGKSA-N 2 1 319.474 3.269 20 0 DGADMP CC[N@@H+](Cc1nc2ccc(OC)cc2s1)[C@H]1CCC[NH2+]CC1 ZINC000261757022 432448747 /nfs/dbraw/zinc/44/87/47/432448747.db2.gz CPVMXQQKVHNEFR-ZDUSSCGKSA-N 2 1 319.474 3.269 20 0 DGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000261770371 432449284 /nfs/dbraw/zinc/44/92/84/432449284.db2.gz DQNCNQMZYLGROP-IRXDYDNUSA-N 2 1 317.477 3.115 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000261809516 432452509 /nfs/dbraw/zinc/45/25/09/432452509.db2.gz HPMLHFXGIZKQEI-UHFFFAOYSA-N 2 1 310.445 3.033 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000261809516 432452513 /nfs/dbraw/zinc/45/25/13/432452513.db2.gz HPMLHFXGIZKQEI-UHFFFAOYSA-N 2 1 310.445 3.033 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000193160946 432456157 /nfs/dbraw/zinc/45/61/57/432456157.db2.gz XCDBOZJTDPQDTC-BLLLJJGKSA-N 2 1 323.278 3.368 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCC2CCCCC2)CC1 ZINC000192730204 432407840 /nfs/dbraw/zinc/40/78/40/432407840.db2.gz ZVJAWKJQSRLPHY-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP CCC[C@@]1(C)CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192750559 432409544 /nfs/dbraw/zinc/40/95/44/432409544.db2.gz SMXURHRJSDYDKP-IBGZPJMESA-N 2 1 309.542 3.305 20 0 DGADMP CC(C)C[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192757943 432410544 /nfs/dbraw/zinc/41/05/44/432410544.db2.gz FXEUVZQUXFNSGB-LJQANCHMSA-N 2 1 309.542 3.161 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000153500458 432415000 /nfs/dbraw/zinc/41/50/00/432415000.db2.gz OMGFEOZQZMWJAT-OXQOHEQNSA-N 2 1 316.489 3.432 20 0 DGADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000153500458 432415007 /nfs/dbraw/zinc/41/50/07/432415007.db2.gz OMGFEOZQZMWJAT-OXQOHEQNSA-N 2 1 316.489 3.432 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000255953491 432415055 /nfs/dbraw/zinc/41/50/55/432415055.db2.gz QAGRLDVNWUHAQS-YRWFTTLQSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000262057823 432471840 /nfs/dbraw/zinc/47/18/40/432471840.db2.gz QVWNESSOYMDLIY-ORAYPTAESA-N 2 1 316.395 3.376 20 0 DGADMP C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000262057823 432471843 /nfs/dbraw/zinc/47/18/43/432471843.db2.gz QVWNESSOYMDLIY-ORAYPTAESA-N 2 1 316.395 3.376 20 0 DGADMP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000185195662 432475963 /nfs/dbraw/zinc/47/59/63/432475963.db2.gz HHZRRPIUQNMNDJ-IBGZPJMESA-N 2 1 318.505 3.080 20 0 DGADMP CCOC1CC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272308577 432480133 /nfs/dbraw/zinc/48/01/33/432480133.db2.gz IFZJKQNYODKQND-FLODPWGTSA-N 2 1 302.462 3.054 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000272316245 432480721 /nfs/dbraw/zinc/48/07/21/432480721.db2.gz SOUXOXFHWCHOHG-INIZCTEOSA-N 2 1 311.473 3.408 20 0 DGADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000272352597 432487964 /nfs/dbraw/zinc/48/79/64/432487964.db2.gz QTTHHIUZTWUCEE-WDSOQIARSA-N 2 1 304.478 3.158 20 0 DGADMP CC(C)OCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380159 432490621 /nfs/dbraw/zinc/49/06/21/432490621.db2.gz BQRHKOUKCSZRIY-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C(C)C ZINC000262585567 432492294 /nfs/dbraw/zinc/49/22/94/432492294.db2.gz ZRQMWBQRHGETEK-SJORKVTESA-N 2 1 302.462 3.039 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)cc1 ZINC000272458532 432505414 /nfs/dbraw/zinc/50/54/14/432505414.db2.gz QKSIUDPBHFEPNP-HUUCEWRRSA-N 2 1 301.434 3.382 20 0 DGADMP C[C@@H]([NH2+]CCc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272481396 432509583 /nfs/dbraw/zinc/50/95/83/432509583.db2.gz MFEYTEMUCDNSFZ-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261917270 432460549 /nfs/dbraw/zinc/46/05/49/432460549.db2.gz JZPJTUBTWBCSOC-RDJZCZTQSA-N 2 1 310.445 3.019 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000261927474 432462016 /nfs/dbraw/zinc/46/20/16/432462016.db2.gz IZPFTPZAVBJBDU-UHFFFAOYSA-N 2 1 316.474 3.027 20 0 DGADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272236938 432467739 /nfs/dbraw/zinc/46/77/39/432467739.db2.gz VSBBZCJNAQXPQS-RHSMWYFYSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272236938 432467742 /nfs/dbraw/zinc/46/77/42/432467742.db2.gz VSBBZCJNAQXPQS-RHSMWYFYSA-N 2 1 315.486 3.452 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC2CCCC2)c1 ZINC000262030975 432469381 /nfs/dbraw/zinc/46/93/81/432469381.db2.gz OCESWDXOINIIKY-LJQANCHMSA-N 2 1 300.446 3.193 20 0 DGADMP c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC2CCCC2)c1 ZINC000262030975 432469384 /nfs/dbraw/zinc/46/93/84/432469384.db2.gz OCESWDXOINIIKY-LJQANCHMSA-N 2 1 300.446 3.193 20 0 DGADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262028095 432470076 /nfs/dbraw/zinc/47/00/76/432470076.db2.gz WWBMCFGTUGZNTF-HOTGVXAUSA-N 2 1 322.880 3.430 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000194610661 432563296 /nfs/dbraw/zinc/56/32/96/432563296.db2.gz QDLIZZFKDYHGBT-UWJYYQICSA-N 2 1 324.468 3.147 20 0 DGADMP C[C@H]([NH2+]Cc1cc(O)cc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185623422 432516551 /nfs/dbraw/zinc/51/65/51/432516551.db2.gz IKLXBJWBRXGGKM-ZFWWWQNUSA-N 2 1 306.425 3.274 20 0 DGADMP C[C@H]([NH2+]Cc1cc(O)cc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185623422 432516555 /nfs/dbraw/zinc/51/65/55/432516555.db2.gz IKLXBJWBRXGGKM-ZFWWWQNUSA-N 2 1 306.425 3.274 20 0 DGADMP CCCCOc1ncccc1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000154747208 432518264 /nfs/dbraw/zinc/51/82/64/432518264.db2.gz PBBKYTDBQVREHX-DOTOQJQBSA-N 2 1 305.466 3.080 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C ZINC000194079004 432523238 /nfs/dbraw/zinc/52/32/38/432523238.db2.gz WVCJGHRVHQRJDD-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C ZINC000194079004 432523243 /nfs/dbraw/zinc/52/32/43/432523243.db2.gz WVCJGHRVHQRJDD-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1C ZINC000194079004 432523245 /nfs/dbraw/zinc/52/32/45/432523245.db2.gz WVCJGHRVHQRJDD-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Br)o1 ZINC000176456680 432524056 /nfs/dbraw/zinc/52/40/56/432524056.db2.gz ZPBGIUYGBNCAHP-GFCCVEGCSA-N 2 1 315.255 3.348 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000273043608 432541811 /nfs/dbraw/zinc/54/18/11/432541811.db2.gz IWQBUKBWIOKFSU-MSOLQXFVSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000195134525 432607528 /nfs/dbraw/zinc/60/75/28/432607528.db2.gz JKPPYKLWPOICBA-MSOLQXFVSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000195134515 432608045 /nfs/dbraw/zinc/60/80/45/432608045.db2.gz JKPPYKLWPOICBA-ZWKOTPCHSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000186573589 432609206 /nfs/dbraw/zinc/60/92/06/432609206.db2.gz KHEUYPWTERRJMO-HOJAQTOUSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000186573589 432609209 /nfs/dbraw/zinc/60/92/09/432609209.db2.gz KHEUYPWTERRJMO-HOJAQTOUSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186573589 432609210 /nfs/dbraw/zinc/60/92/10/432609210.db2.gz KHEUYPWTERRJMO-HOJAQTOUSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186573589 432609214 /nfs/dbraw/zinc/60/92/14/432609214.db2.gz KHEUYPWTERRJMO-HOJAQTOUSA-N 2 1 317.521 3.215 20 0 DGADMP COCCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000156990258 432612127 /nfs/dbraw/zinc/61/21/27/432612127.db2.gz VFGBBKDQWRUEQW-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156990258 432612129 /nfs/dbraw/zinc/61/21/29/432612129.db2.gz VFGBBKDQWRUEQW-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156990258 432612132 /nfs/dbraw/zinc/61/21/32/432612132.db2.gz VFGBBKDQWRUEQW-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156990258 432612135 /nfs/dbraw/zinc/61/21/35/432612135.db2.gz VFGBBKDQWRUEQW-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP COCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156990258 432612138 /nfs/dbraw/zinc/61/21/38/432612138.db2.gz VFGBBKDQWRUEQW-MJGOQNOKSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000273301303 432581068 /nfs/dbraw/zinc/58/10/68/432581068.db2.gz NALKPWRREBLPMP-UKRRQHHQSA-N 2 1 304.459 3.009 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccco3)CC2)cc1 ZINC000155964180 432584230 /nfs/dbraw/zinc/58/42/30/432584230.db2.gz GLCGETSOLIEJBO-UHFFFAOYSA-N 2 1 316.420 3.258 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@H](C)C1 ZINC000186410946 432592625 /nfs/dbraw/zinc/59/26/25/432592625.db2.gz PFYYEVKXACLEHV-KDOFPFPSSA-N 2 1 317.452 3.180 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000157922047 432631765 /nfs/dbraw/zinc/63/17/65/432631765.db2.gz JYKYBHRCJPHSHB-LSDHHAIUSA-N 2 1 304.482 3.256 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158249334 432642270 /nfs/dbraw/zinc/64/22/70/432642270.db2.gz SSRJPGOOMWZFKR-VXGBXAGGSA-N 2 1 316.367 3.420 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158249334 432642273 /nfs/dbraw/zinc/64/22/73/432642273.db2.gz SSRJPGOOMWZFKR-VXGBXAGGSA-N 2 1 316.367 3.420 20 0 DGADMP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158789247 432658834 /nfs/dbraw/zinc/65/88/34/432658834.db2.gz XMWRZDHMDPZAMA-QUCCMNQESA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158789247 432658838 /nfs/dbraw/zinc/65/88/38/432658838.db2.gz XMWRZDHMDPZAMA-QUCCMNQESA-N 2 1 316.489 3.488 20 0 DGADMP Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158789247 432658842 /nfs/dbraw/zinc/65/88/42/432658842.db2.gz XMWRZDHMDPZAMA-QUCCMNQESA-N 2 1 316.489 3.488 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(C)s1 ZINC000158875452 432661346 /nfs/dbraw/zinc/66/13/46/432661346.db2.gz WFPQWBHPIMXWAP-HOCLYGCPSA-N 2 1 310.507 3.108 20 0 DGADMP Cc1[nH+]ccn1CCCN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274430110 432667492 /nfs/dbraw/zinc/66/74/92/432667492.db2.gz GOOVHGQRGKNFLT-KRWDZBQOSA-N 2 1 319.836 3.309 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000178119831 432698004 /nfs/dbraw/zinc/69/80/04/432698004.db2.gz YHEOPQPDMXNURN-OAGGEKHMSA-N 2 1 312.498 3.207 20 0 DGADMP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000226435371 432707110 /nfs/dbraw/zinc/70/71/10/432707110.db2.gz UTIHDKHSKNBAIG-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000226435371 432707115 /nfs/dbraw/zinc/70/71/15/432707115.db2.gz UTIHDKHSKNBAIG-LBPRGKRZSA-N 2 1 302.340 3.017 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](c1cccs1)[NH+](C)C ZINC000227394343 432711559 /nfs/dbraw/zinc/71/15/59/432711559.db2.gz JJQLHCVEQCNUES-BZUAXINKSA-N 2 1 309.523 3.251 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC000228476867 432718553 /nfs/dbraw/zinc/71/85/53/432718553.db2.gz ARMGQNRKMQDXMT-YUSALJHKSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)s3)C[C@H]21 ZINC000228476867 432718556 /nfs/dbraw/zinc/71/85/56/432718556.db2.gz ARMGQNRKMQDXMT-YUSALJHKSA-N 2 1 315.280 3.070 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178335698 432722351 /nfs/dbraw/zinc/72/23/51/432722351.db2.gz TVBQEJLSIGMFBU-SCTDSRPQSA-N 2 1 304.478 3.444 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178335698 432722354 /nfs/dbraw/zinc/72/23/54/432722354.db2.gz TVBQEJLSIGMFBU-SCTDSRPQSA-N 2 1 304.478 3.444 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3Br)C[C@@H]21 ZINC000230047912 432725466 /nfs/dbraw/zinc/72/54/66/432725466.db2.gz CBEMFRYXCQZYNI-CORIIIEPSA-N 2 1 309.251 3.008 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000178040402 432687504 /nfs/dbraw/zinc/68/75/04/432687504.db2.gz JZKGZZGQEMZXOP-BBWFWOEESA-N 2 1 322.497 3.004 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000236603753 432749683 /nfs/dbraw/zinc/74/96/83/432749683.db2.gz WRLPPGBKVPBSNE-UHFFFAOYSA-N 2 1 302.462 3.363 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1C)CCCS2 ZINC000275831815 432753903 /nfs/dbraw/zinc/75/39/03/432753903.db2.gz HYXIHCLPJOOOKY-MRXNPFEDSA-N 2 1 317.458 3.417 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000178703144 432768941 /nfs/dbraw/zinc/76/89/41/432768941.db2.gz VSBHBHSGPDKPOS-HOTGVXAUSA-N 3 1 323.444 3.364 20 0 DGADMP CCC(O)(CC)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000276163327 432778377 /nfs/dbraw/zinc/77/83/77/432778377.db2.gz BKEZDIJRPWCDMZ-UHFFFAOYSA-N 2 1 304.478 3.182 20 0 DGADMP C[N@@H+](CCN[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000237171598 432780091 /nfs/dbraw/zinc/78/00/91/432780091.db2.gz NQZBWWCZRRUQFV-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000237171598 432780094 /nfs/dbraw/zinc/78/00/94/432780094.db2.gz NQZBWWCZRRUQFV-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+](CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000237171598 432780098 /nfs/dbraw/zinc/78/00/98/432780098.db2.gz NQZBWWCZRRUQFV-LJQANCHMSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)CC[N@H+]1C ZINC000188557423 432732061 /nfs/dbraw/zinc/73/20/61/432732061.db2.gz YPEXGWZVYHPAKN-CJNGLKHVSA-N 2 1 319.880 3.447 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231456444 432732317 /nfs/dbraw/zinc/73/23/17/432732317.db2.gz IEYMBSFTNGKBOQ-GFCCVEGCSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231463657 432732534 /nfs/dbraw/zinc/73/25/34/432732534.db2.gz KOYNTONCASZZSW-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231463657 432732539 /nfs/dbraw/zinc/73/25/39/432732539.db2.gz KOYNTONCASZZSW-ZDUSSCGKSA-N 2 1 304.331 3.418 20 0 DGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000275663599 432739922 /nfs/dbraw/zinc/73/99/22/432739922.db2.gz XVYIYHIGXPKIDZ-IPMKNSEASA-N 2 1 309.457 3.447 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188729275 432741612 /nfs/dbraw/zinc/74/16/12/432741612.db2.gz QFLXXEBMVBLCMU-UMVBOHGHSA-N 2 1 312.404 3.149 20 0 DGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1OC(F)F ZINC000276611466 432823141 /nfs/dbraw/zinc/82/31/41/432823141.db2.gz GVCAGPYTPYGGLU-CQSZACIVSA-N 2 1 309.360 3.305 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000276791083 432825788 /nfs/dbraw/zinc/82/57/88/432825788.db2.gz LBQIYNXBGJIXID-GOSISDBHSA-N 2 1 302.462 3.480 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000277276339 432833344 /nfs/dbraw/zinc/83/33/44/432833344.db2.gz SAWOXBFNHBYJPI-UHFFFAOYSA-N 2 1 302.462 3.155 20 0 DGADMP C[C@@H](C[NH2+]Cc1cccc2c1OC(C)(C)C2)C[NH+]1CCCC1 ZINC000237376767 432786170 /nfs/dbraw/zinc/78/61/70/432786170.db2.gz PSBQZEMMJDTVPO-HNNXBMFYSA-N 2 1 302.462 3.222 20 0 DGADMP CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178973090 432791976 /nfs/dbraw/zinc/79/19/76/432791976.db2.gz LAKMZXKFIHRSNP-KRWDZBQOSA-N 2 1 322.880 3.492 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000162213686 432815586 /nfs/dbraw/zinc/81/55/86/432815586.db2.gz BCBWRVLYZXZLFP-UHFFFAOYSA-N 2 1 305.466 3.253 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C[C@H]1CCOC1 ZINC000245755543 432861105 /nfs/dbraw/zinc/86/11/05/432861105.db2.gz ONEIASBUNWOVDX-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP C[NH+](C[C@H]1CCOC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000245755543 432861106 /nfs/dbraw/zinc/86/11/06/432861106.db2.gz ONEIASBUNWOVDX-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP C[NH+](C[C@H]1CCOC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000245755543 432861108 /nfs/dbraw/zinc/86/11/08/432861108.db2.gz ONEIASBUNWOVDX-GOSISDBHSA-N 2 1 304.478 3.113 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685467 432869767 /nfs/dbraw/zinc/86/97/67/432869767.db2.gz KWLJOOGWSJABOB-DOMZBBRYSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685467 432869769 /nfs/dbraw/zinc/86/97/69/432869769.db2.gz KWLJOOGWSJABOB-DOMZBBRYSA-N 2 1 313.367 3.017 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685467 432869771 /nfs/dbraw/zinc/86/97/71/432869771.db2.gz KWLJOOGWSJABOB-DOMZBBRYSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685467 432869774 /nfs/dbraw/zinc/86/97/74/432869774.db2.gz KWLJOOGWSJABOB-DOMZBBRYSA-N 2 1 313.367 3.017 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)CC[C@@H]21 ZINC000277685467 432869777 /nfs/dbraw/zinc/86/97/77/432869777.db2.gz KWLJOOGWSJABOB-DOMZBBRYSA-N 2 1 313.367 3.017 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H](C)C1 ZINC000245919571 432870654 /nfs/dbraw/zinc/87/06/54/432870654.db2.gz GFKATMSFCOWUBS-PIIMJCKOSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)Oc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000277732975 432873573 /nfs/dbraw/zinc/87/35/73/432873573.db2.gz JUWPHSBWAYMBQZ-QGZVFWFLSA-N 2 1 320.477 3.064 20 0 DGADMP Cc1ccc(C2CC([NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)C2)cc1 ZINC000278394871 432893652 /nfs/dbraw/zinc/89/36/52/432893652.db2.gz DCFHQBTWPSGKKM-QHGAOEGBSA-N 2 1 316.489 3.332 20 0 DGADMP Cc1ccc(C2CC([NH2+]CCC[N@H+]3CCCO[C@H](C)C3)C2)cc1 ZINC000278394871 432893654 /nfs/dbraw/zinc/89/36/54/432893654.db2.gz DCFHQBTWPSGKKM-QHGAOEGBSA-N 2 1 316.489 3.332 20 0 DGADMP O=C1Nc2ccccc2CC[C@H]1N1CC[C@@H](Oc2ccncc2)C1 ZINC000330145041 432894081 /nfs/dbraw/zinc/89/40/81/432894081.db2.gz ZZGAQERJYVQFCX-SJLPKXTDSA-N 2 1 323.396 3.138 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCC1 ZINC000245544286 432842147 /nfs/dbraw/zinc/84/21/47/432842147.db2.gz AZKDAENJBBZYTJ-WNRNVDISSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000163272580 432848635 /nfs/dbraw/zinc/84/86/35/432848635.db2.gz QWBOYIAPRNIHGS-ZWOKBUDYSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000163272580 432848637 /nfs/dbraw/zinc/84/86/37/432848637.db2.gz QWBOYIAPRNIHGS-ZWOKBUDYSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](OCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000163372255 432851413 /nfs/dbraw/zinc/85/14/13/432851413.db2.gz GIESOWGBRPJLJG-VXNCWWDNSA-N 2 1 304.478 3.473 20 0 DGADMP c1cn(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245655331 432853203 /nfs/dbraw/zinc/85/32/03/432853203.db2.gz DHXUBDKQNVHJRT-ACDBMABISA-N 2 1 324.472 3.058 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245676085 432854688 /nfs/dbraw/zinc/85/46/88/432854688.db2.gz ICAKQYXMRHUJRD-DSLXNQLJSA-N 2 1 302.462 3.197 20 0 DGADMP CSC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000278976867 432922888 /nfs/dbraw/zinc/92/28/88/432922888.db2.gz CPGWGYFNOUKFIL-RDJZCZTQSA-N 2 1 304.503 3.382 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCc3ccccn3)CC2)n2c1CCCC2 ZINC000278968506 432922947 /nfs/dbraw/zinc/92/29/47/432922947.db2.gz XOTLSBURXGGLAV-UHFFFAOYSA-N 2 1 310.445 3.037 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205281 432933106 /nfs/dbraw/zinc/93/31/06/432933106.db2.gz IBADXPFIHHUWKA-GYOZFHMUSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205281 432933109 /nfs/dbraw/zinc/93/31/09/432933109.db2.gz IBADXPFIHHUWKA-GYOZFHMUSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205281 432933111 /nfs/dbraw/zinc/93/31/11/432933111.db2.gz IBADXPFIHHUWKA-GYOZFHMUSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000289205281 432933114 /nfs/dbraw/zinc/93/31/14/432933114.db2.gz IBADXPFIHHUWKA-GYOZFHMUSA-N 2 1 306.400 3.394 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000289238887 432937019 /nfs/dbraw/zinc/93/70/19/432937019.db2.gz MPWRXTBTTYGKPK-ARFHVFGLSA-N 2 1 304.409 3.038 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000289238887 432937021 /nfs/dbraw/zinc/93/70/21/432937021.db2.gz MPWRXTBTTYGKPK-ARFHVFGLSA-N 2 1 304.409 3.038 20 0 DGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000289307753 432943073 /nfs/dbraw/zinc/94/30/73/432943073.db2.gz STJBFDZLDHWUKO-MLGOLLRUSA-N 2 1 317.408 3.252 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278797422 432902041 /nfs/dbraw/zinc/90/20/41/432902041.db2.gz QWKCMNYBDIKQQC-REPLKXPHSA-N 2 1 310.445 3.003 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278797422 432902044 /nfs/dbraw/zinc/90/20/44/432902044.db2.gz QWKCMNYBDIKQQC-REPLKXPHSA-N 2 1 310.445 3.003 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCc2ccncc2)C3)cc1 ZINC000278839699 432907041 /nfs/dbraw/zinc/90/70/41/432907041.db2.gz UTZJCKLSSGXEKX-MZADTFQBSA-N 2 1 321.468 3.409 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(=O)OC)cc1 ZINC000296508478 432916448 /nfs/dbraw/zinc/91/64/48/432916448.db2.gz PKWQYYNVAQEKSQ-HQSKLWIPSA-N 2 1 316.445 3.139 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000296514584 432917338 /nfs/dbraw/zinc/91/73/38/432917338.db2.gz PQJLBLBXFPTSSQ-MANSERQUSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000278919141 432917585 /nfs/dbraw/zinc/91/75/85/432917585.db2.gz RGYBTEQXJCVHJI-UHFFFAOYSA-N 2 1 316.474 3.364 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000296508675 432917778 /nfs/dbraw/zinc/91/77/78/432917778.db2.gz RJGYFFLBBLFTTB-TXPKVOOTSA-N 2 1 302.462 3.115 20 0 DGADMP CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccn(C)n1 ZINC000349461347 432964683 /nfs/dbraw/zinc/96/46/83/432964683.db2.gz YGQKNGQNNIONBJ-QGZVFWFLSA-N 2 1 300.450 3.113 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccn(C)n1 ZINC000349461347 432964687 /nfs/dbraw/zinc/96/46/87/432964687.db2.gz YGQKNGQNNIONBJ-QGZVFWFLSA-N 2 1 300.450 3.113 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccn(C)n1 ZINC000349461347 432964691 /nfs/dbraw/zinc/96/46/91/432964691.db2.gz YGQKNGQNNIONBJ-QGZVFWFLSA-N 2 1 300.450 3.113 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000341186938 432985608 /nfs/dbraw/zinc/98/56/08/432985608.db2.gz KSDPUZBCOFRVKZ-UHFFFAOYSA-N 2 1 305.447 3.177 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CCc4cncn4C)C3)[nH]c2c1 ZINC000290159912 433002797 /nfs/dbraw/zinc/00/27/97/433002797.db2.gz XJDYCUKHQWTIIS-OAHLLOKOSA-N 2 1 323.444 3.027 20 0 DGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CCc4cncn4C)C3)[nH]c2c1 ZINC000290159912 433002798 /nfs/dbraw/zinc/00/27/98/433002798.db2.gz XJDYCUKHQWTIIS-OAHLLOKOSA-N 2 1 323.444 3.027 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290158952 433003271 /nfs/dbraw/zinc/00/32/71/433003271.db2.gz LVUAVLMGEXKMCR-RLLQIKCJSA-N 2 1 316.489 3.303 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290287244 433027854 /nfs/dbraw/zinc/02/78/54/433027854.db2.gz XRRXNBPWJQIYJL-ZHALLVOQSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000280435559 433051943 /nfs/dbraw/zinc/05/19/43/433051943.db2.gz CHPUOQHSKSJYEE-GFCCVEGCSA-N 2 1 311.351 3.431 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417630 433047509 /nfs/dbraw/zinc/04/75/09/433047509.db2.gz KLJHWKSLUTXRDW-YOEHRIQHSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417630 433047512 /nfs/dbraw/zinc/04/75/12/433047512.db2.gz KLJHWKSLUTXRDW-YOEHRIQHSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417630 433047519 /nfs/dbraw/zinc/04/75/19/433047519.db2.gz KLJHWKSLUTXRDW-YOEHRIQHSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417630 433047523 /nfs/dbraw/zinc/04/75/23/433047523.db2.gz KLJHWKSLUTXRDW-YOEHRIQHSA-N 2 1 318.461 3.104 20 0 DGADMP CCc1cccc2c(CC[NH2+]C3CC[NH+](C4CC4)CC3)c[nH]c21 ZINC000298253945 433071293 /nfs/dbraw/zinc/07/12/93/433071293.db2.gz DTZBTSHBRORCJM-UHFFFAOYSA-N 2 1 311.473 3.489 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OCC ZINC000290512683 433075990 /nfs/dbraw/zinc/07/59/90/433075990.db2.gz PPLYRSLVSXOTMR-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000290512683 433075999 /nfs/dbraw/zinc/07/59/99/433075999.db2.gz PPLYRSLVSXOTMR-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000290512683 433076009 /nfs/dbraw/zinc/07/60/09/433076009.db2.gz PPLYRSLVSXOTMR-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000290512683 433076017 /nfs/dbraw/zinc/07/60/17/433076017.db2.gz PPLYRSLVSXOTMR-NVXWUHKLSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1O ZINC000298317871 433089720 /nfs/dbraw/zinc/08/97/20/433089720.db2.gz IEPQVFYHRFEKRJ-INIZCTEOSA-N 2 1 306.450 3.001 20 0 DGADMP Cc1ncsc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350271972 433122007 /nfs/dbraw/zinc/12/20/07/433122007.db2.gz WGUHNTCNFYCXOF-UHFFFAOYSA-N 2 1 316.474 3.195 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCCC1 ZINC000354514845 433123817 /nfs/dbraw/zinc/12/38/17/433123817.db2.gz RXLMNKCLTOANHI-FFZOFVMBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCCC1 ZINC000354514845 433123822 /nfs/dbraw/zinc/12/38/22/433123822.db2.gz RXLMNKCLTOANHI-FFZOFVMBSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000446935557 433132302 /nfs/dbraw/zinc/13/23/02/433132302.db2.gz GCRZNBYIHDPJSE-LJQANCHMSA-N 2 1 302.462 3.079 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000453377874 433133807 /nfs/dbraw/zinc/13/38/07/433133807.db2.gz ZEWIVBWUXSCCSA-WZYMTQMTSA-N 2 1 318.461 3.288 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000298434466 433136978 /nfs/dbraw/zinc/13/69/78/433136978.db2.gz NCYPZZZNGFCZBS-HXUWFJFHSA-N 2 1 310.441 3.090 20 0 DGADMP C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687838 433140520 /nfs/dbraw/zinc/14/05/20/433140520.db2.gz MJOFAGYFIOJTBP-GMXVVIOVSA-N 2 1 324.266 3.120 20 0 DGADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000453387563 433143090 /nfs/dbraw/zinc/14/30/90/433143090.db2.gz FLDCUMHKJBZTBJ-WZTLGTBRSA-N 2 1 308.441 3.084 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000453390168 433146694 /nfs/dbraw/zinc/14/66/94/433146694.db2.gz DAFHWJWQGDSPTR-HNNXBMFYSA-N 2 1 318.461 3.373 20 0 DGADMP COc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000420295344 433148519 /nfs/dbraw/zinc/14/85/19/433148519.db2.gz AAJNXGKXJUEVJD-CVEARBPZSA-N 2 1 302.462 3.295 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000453393860 433150102 /nfs/dbraw/zinc/15/01/02/433150102.db2.gz GNXMQFKQQFYWKV-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000354562805 433151196 /nfs/dbraw/zinc/15/11/96/433151196.db2.gz HADRSRZEXBBLTB-TVRKMHQQSA-N 2 1 324.509 3.208 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000354562805 433151202 /nfs/dbraw/zinc/15/12/02/433151202.db2.gz HADRSRZEXBBLTB-TVRKMHQQSA-N 2 1 324.509 3.208 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1O ZINC000290585245 433105056 /nfs/dbraw/zinc/10/50/56/433105056.db2.gz GFNZOTBGZPGMDO-CQSZACIVSA-N 2 1 318.461 3.458 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446833781 433113408 /nfs/dbraw/zinc/11/34/08/433113408.db2.gz UKGLLPUJFLDNMW-GOSISDBHSA-N 2 1 301.434 3.023 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300279 433156406 /nfs/dbraw/zinc/15/64/06/433156406.db2.gz JWAUNWRIFHKXQW-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300279 433156417 /nfs/dbraw/zinc/15/64/17/433156417.db2.gz JWAUNWRIFHKXQW-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420310593 433156779 /nfs/dbraw/zinc/15/67/79/433156779.db2.gz VFQXKJINRAHISA-WBVHZDCISA-N 2 1 318.436 3.110 20 0 DGADMP c1cc(C[N@H+](CC[C@@H]2CCCO2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420317546 433158357 /nfs/dbraw/zinc/15/83/57/433158357.db2.gz VAWFCHHNQLNASI-IRXDYDNUSA-N 2 1 320.502 3.261 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2cccn2)cc1 ZINC000453402841 433158821 /nfs/dbraw/zinc/15/88/21/433158821.db2.gz NZDZIWOMAVVDLC-INIZCTEOSA-N 2 1 312.461 3.397 20 0 DGADMP CC(C)c1csc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311004 433159302 /nfs/dbraw/zinc/15/93/02/433159302.db2.gz GNCRGRARZLLALQ-CABCVRRESA-N 2 1 307.507 3.446 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1O ZINC000290758785 433160745 /nfs/dbraw/zinc/16/07/45/433160745.db2.gz RKMVOZUJRSCPIK-CQSZACIVSA-N 2 1 306.450 3.173 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000420319461 433161869 /nfs/dbraw/zinc/16/18/69/433161869.db2.gz ADPHOBORJPMOHR-DLBZAZTESA-N 2 1 311.429 3.163 20 0 DGADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420314924 433162076 /nfs/dbraw/zinc/16/20/76/433162076.db2.gz KNRNSDRMQCFOCQ-YJBOKZPZSA-N 2 1 312.461 3.193 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000420318237 433162836 /nfs/dbraw/zinc/16/28/36/433162836.db2.gz ODRZTJGDSDDOKN-HNNXBMFYSA-N 2 1 320.383 3.148 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000420328578 433164613 /nfs/dbraw/zinc/16/46/13/433164613.db2.gz ZZSOCDJDRMGHAI-INIZCTEOSA-N 2 1 302.393 3.009 20 0 DGADMP c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000420321074 433165278 /nfs/dbraw/zinc/16/52/78/433165278.db2.gz CGFSTTPIYNLXES-IAGOWNOFSA-N 2 1 311.429 3.163 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298535265 433167584 /nfs/dbraw/zinc/16/75/84/433167584.db2.gz SMPLLSYHRXSHAO-UHFFFAOYSA-N 2 1 315.461 3.142 20 0 DGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000420323783 433167973 /nfs/dbraw/zinc/16/79/73/433167973.db2.gz UIZVEHIAILMANA-SJLPKXTDSA-N 2 1 304.478 3.338 20 0 DGADMP Cc1ccc([C@H]2CC[N@H+](Cc3cnc(N(C)C)n3C)C2)c(C)c1 ZINC000425330945 433168514 /nfs/dbraw/zinc/16/85/14/433168514.db2.gz BHQKIPHUDINSSK-INIZCTEOSA-N 2 1 312.461 3.092 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000420357545 433177663 /nfs/dbraw/zinc/17/76/63/433177663.db2.gz IDIBNFKGOPBRPG-MRXNPFEDSA-N 2 1 323.868 3.166 20 0 DGADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420371109 433180048 /nfs/dbraw/zinc/18/00/48/433180048.db2.gz KHFZFGXJHCMKKM-WMZOPIPTSA-N 2 1 320.452 3.196 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420363137 433181562 /nfs/dbraw/zinc/18/15/62/433181562.db2.gz BFFKECGSNSTALL-LSDHHAIUSA-N 2 1 308.853 3.183 20 0 DGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420363079 433182448 /nfs/dbraw/zinc/18/24/48/433182448.db2.gz OXNBSYNAMQVMPF-CVEARBPZSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363079 433182454 /nfs/dbraw/zinc/18/24/54/433182454.db2.gz OXNBSYNAMQVMPF-CVEARBPZSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC000420363079 433182461 /nfs/dbraw/zinc/18/24/61/433182461.db2.gz OXNBSYNAMQVMPF-CVEARBPZSA-N 2 1 312.461 3.050 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1c(-c2ccccc2)nc2ccccn21 ZINC000420362344 433182506 /nfs/dbraw/zinc/18/25/06/433182506.db2.gz NAEYVOHQHXKFDJ-KRWDZBQOSA-N 2 1 322.456 3.464 20 0 DGADMP Brc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420370612 433183223 /nfs/dbraw/zinc/18/32/23/433183223.db2.gz JUDMVFICBRVUHR-ZDUSSCGKSA-N 2 1 323.278 3.197 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420365043 433183431 /nfs/dbraw/zinc/18/34/31/433183431.db2.gz PUBKOQWLSBXBGN-GOSISDBHSA-N 2 1 311.429 3.352 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000420372782 433185196 /nfs/dbraw/zinc/18/51/96/433185196.db2.gz QRJXTLVDLHDVMB-INIZCTEOSA-N 2 1 323.868 3.166 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000336712415 433188882 /nfs/dbraw/zinc/18/88/82/433188882.db2.gz OKRCRTQXFYKDJF-UHFFFAOYSA-N 2 1 312.211 3.069 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)o1 ZINC000336712415 433188884 /nfs/dbraw/zinc/18/88/84/433188884.db2.gz OKRCRTQXFYKDJF-UHFFFAOYSA-N 2 1 312.211 3.069 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420406883 433195163 /nfs/dbraw/zinc/19/51/63/433195163.db2.gz USVSGYQJSXODAJ-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000420400483 433197597 /nfs/dbraw/zinc/19/75/97/433197597.db2.gz INSKGPUONSZBKR-JSGCOSHPSA-N 2 1 320.383 3.367 20 0 DGADMP CO[C@@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000425390893 433215311 /nfs/dbraw/zinc/21/53/11/433215311.db2.gz CJRCMRFHOZMOCW-FQEVSTJZSA-N 2 1 316.489 3.255 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447529955 433217179 /nfs/dbraw/zinc/21/71/79/433217179.db2.gz NGBXQVIKWXKGCJ-RTBURBONSA-N 2 1 304.478 3.429 20 0 DGADMP CO[C@](C)(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000291107565 433224013 /nfs/dbraw/zinc/22/40/13/433224013.db2.gz FDZNMVGMSCICKI-YVWKXTFCSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000453601047 433229972 /nfs/dbraw/zinc/22/99/72/433229972.db2.gz TUOJNYAWBZBHBE-UHFFFAOYSA-N 2 1 316.474 3.169 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000453606337 433236594 /nfs/dbraw/zinc/23/65/94/433236594.db2.gz WAXGSGBROYPJTJ-UHFFFAOYSA-N 2 1 324.852 3.075 20 0 DGADMP CC[N@@H+](C[C@@H](OC)C1CC1)CC1CCN(c2ccccn2)CC1 ZINC000425424519 433240478 /nfs/dbraw/zinc/24/04/78/433240478.db2.gz WTTYRELBNYOEKK-GOSISDBHSA-N 2 1 317.477 3.045 20 0 DGADMP C[C@H](C[N@H+]1CCn2cncc2C1)c1cccc(Br)c1 ZINC000291469573 433244330 /nfs/dbraw/zinc/24/43/30/433244330.db2.gz DTKSFHCKNVKGBE-GFCCVEGCSA-N 2 1 320.234 3.265 20 0 DGADMP C[C@H](CN1CCn2cncc2C1)c1cccc(Br)c1 ZINC000291469573 433244342 /nfs/dbraw/zinc/24/43/42/433244342.db2.gz DTKSFHCKNVKGBE-GFCCVEGCSA-N 2 1 320.234 3.265 20 0 DGADMP c1ccc([C@@H]2CC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000420916290 433313810 /nfs/dbraw/zinc/31/38/10/433313810.db2.gz OFUXFYHFEBMPJS-NRFANRHFSA-N 2 1 322.452 3.466 20 0 DGADMP CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000291681710 433313881 /nfs/dbraw/zinc/31/38/81/433313881.db2.gz HTEWBTUHOIRGLZ-UHFFFAOYSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@H](O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000354852724 433317101 /nfs/dbraw/zinc/31/71/01/433317101.db2.gz ODBAMQFIEZBGIZ-AOIWGVFYSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000354852724 433317111 /nfs/dbraw/zinc/31/71/11/433317111.db2.gz ODBAMQFIEZBGIZ-AOIWGVFYSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000354852724 433317119 /nfs/dbraw/zinc/31/71/19/433317119.db2.gz ODBAMQFIEZBGIZ-AOIWGVFYSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000354852724 433317126 /nfs/dbraw/zinc/31/71/26/433317126.db2.gz ODBAMQFIEZBGIZ-AOIWGVFYSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000350892855 433319351 /nfs/dbraw/zinc/31/93/51/433319351.db2.gz FCTPMUBVPGCBRZ-RLLQIKCJSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000350892855 433319353 /nfs/dbraw/zinc/31/93/53/433319353.db2.gz FCTPMUBVPGCBRZ-RLLQIKCJSA-N 2 1 316.489 3.039 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000374962078 433320028 /nfs/dbraw/zinc/32/00/28/433320028.db2.gz JOKGYGTVEOFISV-ZRNYENFQSA-N 2 1 321.553 3.161 20 0 DGADMP CC(C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000420927629 433322389 /nfs/dbraw/zinc/32/23/89/433322389.db2.gz ANRDWLDVHHWCCT-UHFFFAOYSA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000420927629 433322397 /nfs/dbraw/zinc/32/23/97/433322397.db2.gz ANRDWLDVHHWCCT-UHFFFAOYSA-N 2 1 302.462 3.282 20 0 DGADMP CCc1nocc1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000350748554 433274068 /nfs/dbraw/zinc/27/40/68/433274068.db2.gz QLNDMRIXANWXHR-HOTGVXAUSA-N 2 1 305.466 3.323 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)OCc1ccccc1 ZINC000354809939 433288911 /nfs/dbraw/zinc/28/89/11/433288911.db2.gz SXTXKXCMZQVMJY-YZGWKJHDSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000350804533 433291774 /nfs/dbraw/zinc/29/17/74/433291774.db2.gz YPEKGLJOONPTQJ-ZWKOTPCHSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361615646 433293191 /nfs/dbraw/zinc/29/31/91/433293191.db2.gz JOYBEGXFEYSUPD-KRWDZBQOSA-N 2 1 323.525 3.057 20 0 DGADMP CO[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374851737 433293706 /nfs/dbraw/zinc/29/37/06/433293706.db2.gz REWJUGLPSDIVBD-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420912851 433308436 /nfs/dbraw/zinc/30/84/36/433308436.db2.gz ACQZBFWQXMEGOG-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000420909801 433308544 /nfs/dbraw/zinc/30/85/44/433308544.db2.gz ZHFHNVAKJOVBKD-HXUWFJFHSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000420909801 433308550 /nfs/dbraw/zinc/30/85/50/433308550.db2.gz ZHFHNVAKJOVBKD-HXUWFJFHSA-N 2 1 314.473 3.283 20 0 DGADMP CC[C@H](F)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338631548 433312702 /nfs/dbraw/zinc/31/27/02/433312702.db2.gz GFBATKHXEZKGQG-UONOGXRCSA-N 2 1 311.470 3.178 20 0 DGADMP CC[C@H](F)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338631548 433312715 /nfs/dbraw/zinc/31/27/15/433312715.db2.gz GFBATKHXEZKGQG-UONOGXRCSA-N 2 1 311.470 3.178 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414450 433366614 /nfs/dbraw/zinc/36/66/14/433366614.db2.gz WHLDQUHEVGUIIK-VQIMIIECSA-N 2 1 324.472 3.149 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(N)c2)CCN1Cc1ccccc1 ZINC000299414450 433366637 /nfs/dbraw/zinc/36/66/37/433366637.db2.gz WHLDQUHEVGUIIK-VQIMIIECSA-N 2 1 324.472 3.149 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414066592 433372630 /nfs/dbraw/zinc/37/26/30/433372630.db2.gz IGTQZXPKHDZHRR-DLBZAZTESA-N 2 1 319.493 3.123 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(Cl)c1OC ZINC000291735672 433330157 /nfs/dbraw/zinc/33/01/57/433330157.db2.gz OJPNONQXXDZOKX-GFCCVEGCSA-N 2 1 314.857 3.035 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281626308 433331791 /nfs/dbraw/zinc/33/17/91/433331791.db2.gz CRRIOGXPKLMILW-QAPCUYQASA-N 2 1 308.441 3.225 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(Cl)n1C ZINC000281647177 433337832 /nfs/dbraw/zinc/33/78/32/433337832.db2.gz JLVHPKXXRUVSMQ-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(Cl)n1C ZINC000281647177 433337841 /nfs/dbraw/zinc/33/78/41/433337841.db2.gz JLVHPKXXRUVSMQ-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339075021 433340883 /nfs/dbraw/zinc/34/08/83/433340883.db2.gz PCBKCOFWKGUVIS-WWGRRREGSA-N 2 1 306.837 3.380 20 0 DGADMP Clc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339075021 433340889 /nfs/dbraw/zinc/34/08/89/433340889.db2.gz PCBKCOFWKGUVIS-WWGRRREGSA-N 2 1 306.837 3.380 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339069059 433343141 /nfs/dbraw/zinc/34/31/41/433343141.db2.gz QPMWFHHEAWKKHY-XWSJACJDSA-N 2 1 318.436 3.262 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCCO2)cc1 ZINC000339069059 433343150 /nfs/dbraw/zinc/34/31/50/433343150.db2.gz QPMWFHHEAWKKHY-XWSJACJDSA-N 2 1 318.436 3.262 20 0 DGADMP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950509 433343537 /nfs/dbraw/zinc/34/35/37/433343537.db2.gz RIFIWRIKTOEGJX-LPHOPBHVSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950509 433343546 /nfs/dbraw/zinc/34/35/46/433343546.db2.gz RIFIWRIKTOEGJX-LPHOPBHVSA-N 2 1 302.462 3.282 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000425930008 433378686 /nfs/dbraw/zinc/37/86/86/433378686.db2.gz WBXQUEXOZGEVPB-NUJGCVRESA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C2 ZINC000425930008 433378698 /nfs/dbraw/zinc/37/86/98/433378698.db2.gz WBXQUEXOZGEVPB-NUJGCVRESA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000414076014 433379839 /nfs/dbraw/zinc/37/98/39/433379839.db2.gz PSNURMVNGVLUDT-IAGOWNOFSA-N 2 1 319.493 3.265 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000421032504 433398441 /nfs/dbraw/zinc/39/84/41/433398441.db2.gz WUSGRNBKIKQSGO-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP COCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000281864774 433408452 /nfs/dbraw/zinc/40/84/52/433408452.db2.gz CFDJDXZUNZLGJO-UHFFFAOYSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000301094118 433410433 /nfs/dbraw/zinc/41/04/33/433410433.db2.gz URUIUJOQKSPQIW-OAHLLOKOSA-N 2 1 300.406 3.326 20 0 DGADMP CCCc1csc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000426051724 433412100 /nfs/dbraw/zinc/41/21/00/433412100.db2.gz UWWXGQKWNGQZGX-UHFFFAOYSA-N 2 1 307.507 3.403 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291971183 433414693 /nfs/dbraw/zinc/41/46/93/433414693.db2.gz VOUPBEDBXQWUNU-FQEVSTJZSA-N 2 1 318.505 3.036 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000361878499 433433244 /nfs/dbraw/zinc/43/32/44/433433244.db2.gz BGEBKNIHBOWZNL-RXVVDRJESA-N 2 1 324.468 3.283 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000361878499 433433253 /nfs/dbraw/zinc/43/32/53/433433253.db2.gz BGEBKNIHBOWZNL-RXVVDRJESA-N 2 1 324.468 3.283 20 0 DGADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414171504 433438883 /nfs/dbraw/zinc/43/88/83/433438883.db2.gz CYGMYKSNIKSXOA-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414177897 433441418 /nfs/dbraw/zinc/44/14/18/433441418.db2.gz JHVAZDKHYUHJFN-CHWSQXEVSA-N 2 1 311.857 3.126 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000414176463 433441598 /nfs/dbraw/zinc/44/15/98/433441598.db2.gz IESVIQMRUYMHTL-XLIONFOSSA-N 2 1 324.472 3.082 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000414179097 433446276 /nfs/dbraw/zinc/44/62/76/433446276.db2.gz LEPWEFIRXYJGTB-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414195915 433455048 /nfs/dbraw/zinc/45/50/48/433455048.db2.gz JMHBKZIUBRCGIS-MTFMMBMASA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042206 290031554 /nfs/dbraw/zinc/03/15/54/290031554.db2.gz KNRCSRXHSVMAHQ-HZVDNRATSA-N 2 1 313.489 3.374 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@H]21 ZINC000342096410 433466967 /nfs/dbraw/zinc/46/69/67/433466967.db2.gz ZOSBTZPSBZACJB-DAXOMENPSA-N 2 1 310.894 3.491 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CS1 ZINC000414225607 433470013 /nfs/dbraw/zinc/47/00/13/433470013.db2.gz IZPYRNQEQVJSPJ-RDTXWAMCSA-N 2 1 322.493 3.316 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000342104691 433472725 /nfs/dbraw/zinc/47/27/25/433472725.db2.gz XBNTUDQXTXIQEX-UHFFFAOYSA-N 2 1 321.553 3.497 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340136 433478136 /nfs/dbraw/zinc/47/81/36/433478136.db2.gz NWNXRELEWFDAIZ-MOPGFXCFSA-N 2 1 302.462 3.059 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340136 433478144 /nfs/dbraw/zinc/47/81/44/433478144.db2.gz NWNXRELEWFDAIZ-MOPGFXCFSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340136 433478153 /nfs/dbraw/zinc/47/81/53/433478153.db2.gz NWNXRELEWFDAIZ-MOPGFXCFSA-N 2 1 302.462 3.059 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000375475336 433478179 /nfs/dbraw/zinc/47/81/79/433478179.db2.gz YCHBNNXNXIUCBH-UHFFFAOYSA-N 2 1 318.509 3.315 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1)C1CC1 ZINC000351340136 433478161 /nfs/dbraw/zinc/47/81/61/433478161.db2.gz NWNXRELEWFDAIZ-MOPGFXCFSA-N 2 1 302.462 3.059 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415066714 290394096 /nfs/dbraw/zinc/39/40/96/290394096.db2.gz ANWKBBUHNUUIDC-FXAWDEMLSA-N 3 1 315.505 3.293 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000415066714 290394097 /nfs/dbraw/zinc/39/40/97/290394097.db2.gz ANWKBBUHNUUIDC-FXAWDEMLSA-N 2 1 315.505 3.293 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000415066714 290394098 /nfs/dbraw/zinc/39/40/98/290394098.db2.gz ANWKBBUHNUUIDC-FXAWDEMLSA-N 2 1 315.505 3.293 20 0 DGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000342125350 433484730 /nfs/dbraw/zinc/48/47/30/433484730.db2.gz DOWYRBWIVUDRMU-OAHLLOKOSA-N 2 1 323.440 3.471 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)nn1 ZINC000414286882 433514276 /nfs/dbraw/zinc/51/42/76/433514276.db2.gz NQMRXEJUVQBRDB-KRWDZBQOSA-N 2 1 324.472 3.449 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000414286882 433514284 /nfs/dbraw/zinc/51/42/84/433514284.db2.gz NQMRXEJUVQBRDB-KRWDZBQOSA-N 2 1 324.472 3.449 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000292226148 433514692 /nfs/dbraw/zinc/51/46/92/433514692.db2.gz QUGOHARFLUYKRC-APWZRJJASA-N 2 1 318.436 3.145 20 0 DGADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(C)c1OC ZINC000342171235 433516157 /nfs/dbraw/zinc/51/61/57/433516157.db2.gz RAFTZTRZJKATHX-HNNXBMFYSA-N 2 1 320.477 3.366 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421370855 433516243 /nfs/dbraw/zinc/51/62/43/433516243.db2.gz JAVBFTWMBAUVRT-MOPGFXCFSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667493 433520836 /nfs/dbraw/zinc/52/08/36/433520836.db2.gz YIWHKDPOLDMNNJ-KXBFYZLASA-N 2 1 324.472 3.266 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667493 433520843 /nfs/dbraw/zinc/52/08/43/433520843.db2.gz YIWHKDPOLDMNNJ-KXBFYZLASA-N 2 1 324.472 3.266 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]12 ZINC000351477326 433523355 /nfs/dbraw/zinc/52/33/55/433523355.db2.gz NJBKKPXBBYIWMN-HLAWJBBLSA-N 2 1 322.452 3.435 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351478992 433523459 /nfs/dbraw/zinc/52/34/59/433523459.db2.gz QLKYCNOWNKKJDO-MJGOQNOKSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351478992 433523469 /nfs/dbraw/zinc/52/34/69/433523469.db2.gz QLKYCNOWNKKJDO-MJGOQNOKSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351478992 433523475 /nfs/dbraw/zinc/52/34/75/433523475.db2.gz QLKYCNOWNKKJDO-MJGOQNOKSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@H](C(C)C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351478992 433523483 /nfs/dbraw/zinc/52/34/83/433523483.db2.gz QLKYCNOWNKKJDO-MJGOQNOKSA-N 2 1 304.478 3.079 20 0 DGADMP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355205999 433534806 /nfs/dbraw/zinc/53/48/06/433534806.db2.gz VEHOQJAMDFGKMM-KRWDZBQOSA-N 2 1 320.440 3.175 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)CC[C@H]21 ZINC000355206970 433535125 /nfs/dbraw/zinc/53/51/25/433535125.db2.gz DGHGBAGEGLUTMR-RDTXWAMCSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CC[C@H]21 ZINC000355206970 433535137 /nfs/dbraw/zinc/53/51/37/433535137.db2.gz DGHGBAGEGLUTMR-RDTXWAMCSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CC[C@H]21 ZINC000355206970 433535146 /nfs/dbraw/zinc/53/51/46/433535146.db2.gz DGHGBAGEGLUTMR-RDTXWAMCSA-N 2 1 313.420 3.290 20 0 DGADMP CCc1nocc1C[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000339279744 433491082 /nfs/dbraw/zinc/49/10/82/433491082.db2.gz POJSSWSDKQUWCV-CXAGYDPISA-N 2 1 319.474 3.471 20 0 DGADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282236380 433540618 /nfs/dbraw/zinc/54/06/18/433540618.db2.gz IVSWAKUOQPVKQO-FUHWJXTLSA-N 2 1 315.505 3.159 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 ZINC000414346584 433559755 /nfs/dbraw/zinc/55/97/55/433559755.db2.gz MHPPGPQJZBLWGW-AWEZNQCLSA-N 2 1 317.452 3.322 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427521 433576787 /nfs/dbraw/zinc/57/67/87/433576787.db2.gz WMKKVCRFMSGHFQ-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427521 433576794 /nfs/dbraw/zinc/57/67/94/433576794.db2.gz WMKKVCRFMSGHFQ-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427521 433576801 /nfs/dbraw/zinc/57/68/01/433576801.db2.gz WMKKVCRFMSGHFQ-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427521 433576811 /nfs/dbraw/zinc/57/68/11/433576811.db2.gz WMKKVCRFMSGHFQ-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP CSC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000292511140 433577028 /nfs/dbraw/zinc/57/70/28/433577028.db2.gz VOFLBXCRZPZIFZ-MRXNPFEDSA-N 2 1 301.459 3.447 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571659 433586724 /nfs/dbraw/zinc/58/67/24/433586724.db2.gz AKUMFYRBCXCTHW-QZTJIDSGSA-N 2 1 322.468 3.348 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1)C1CC1 ZINC000351571659 433586731 /nfs/dbraw/zinc/58/67/31/433586731.db2.gz AKUMFYRBCXCTHW-QZTJIDSGSA-N 2 1 322.468 3.348 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)s1 ZINC000339449075 433589768 /nfs/dbraw/zinc/58/97/68/433589768.db2.gz MOHJMEXFGXWYGQ-AEFFLSMTSA-N 2 1 315.486 3.488 20 0 DGADMP c1coc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000414327698 433544536 /nfs/dbraw/zinc/54/45/36/433544536.db2.gz BXRJBIDMDCMAEG-RTBURBONSA-N 2 1 310.441 3.432 20 0 DGADMP COC1([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000414327515 433545235 /nfs/dbraw/zinc/54/52/35/433545235.db2.gz YRRSBYJMWJDQPE-QGZVFWFLSA-N 2 1 316.489 3.241 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H](O)CN(C)C2CC2)cc1 ZINC000351518413 433545962 /nfs/dbraw/zinc/54/59/62/433545962.db2.gz LXOWMPSHNDPRBV-DBVUQKKJSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351518413 433545987 /nfs/dbraw/zinc/54/59/87/433545987.db2.gz LXOWMPSHNDPRBV-DBVUQKKJSA-N 2 1 316.489 3.223 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351518413 433545992 /nfs/dbraw/zinc/54/59/92/433545992.db2.gz LXOWMPSHNDPRBV-DBVUQKKJSA-N 2 1 316.489 3.223 20 0 DGADMP COc1ccccc1[C@H](CNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000301601652 433630466 /nfs/dbraw/zinc/63/04/66/433630466.db2.gz VPXZAUUQZCZZFH-HNNXBMFYSA-N 2 1 305.809 3.458 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000282484687 433612700 /nfs/dbraw/zinc/61/27/00/433612700.db2.gz QMLGFUUZYUWLDO-IAGOWNOFSA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000282484687 433612708 /nfs/dbraw/zinc/61/27/08/433612708.db2.gz QMLGFUUZYUWLDO-IAGOWNOFSA-N 2 1 304.503 3.382 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293104944 433615595 /nfs/dbraw/zinc/61/55/95/433615595.db2.gz XZPHYUGDAZCKIK-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293104944 433615605 /nfs/dbraw/zinc/61/56/05/433615605.db2.gz XZPHYUGDAZCKIK-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293104944 433615616 /nfs/dbraw/zinc/61/56/16/433615616.db2.gz XZPHYUGDAZCKIK-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293104944 433615628 /nfs/dbraw/zinc/61/56/28/433615628.db2.gz XZPHYUGDAZCKIK-LJQANCHMSA-N 2 1 301.478 3.431 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000282516471 433616259 /nfs/dbraw/zinc/61/62/59/433616259.db2.gz ZIQOVJATYUJKJX-APWZRJJASA-N 2 1 315.505 3.241 20 0 DGADMP CCc1ncc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441856 433620810 /nfs/dbraw/zinc/62/08/10/433620810.db2.gz ZPGVCCOYXMBEBN-LPHOPBHVSA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414441856 433620816 /nfs/dbraw/zinc/62/08/16/433620816.db2.gz ZPGVCCOYXMBEBN-LPHOPBHVSA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441856 433620823 /nfs/dbraw/zinc/62/08/23/433620823.db2.gz ZPGVCCOYXMBEBN-LPHOPBHVSA-N 2 1 324.472 3.039 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376086917 433662205 /nfs/dbraw/zinc/66/22/05/433662205.db2.gz WIQBHEPFSVLCTP-DLBZAZTESA-N 2 1 315.465 3.021 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCCCO2)CC1CC[NH+](C)CC1 ZINC000449022094 433674401 /nfs/dbraw/zinc/67/44/01/433674401.db2.gz GPHDEYPNSFPTIZ-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP COCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362393873 433687352 /nfs/dbraw/zinc/68/73/52/433687352.db2.gz ANVPMOUZYZFBLU-SFHVURJKSA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393645 433689128 /nfs/dbraw/zinc/68/91/28/433689128.db2.gz TVEVSZLEIQBJNQ-AWEZNQCLSA-N 2 1 317.408 3.254 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367237582 293042426 /nfs/dbraw/zinc/04/24/26/293042426.db2.gz LRNUPWISCOOCSZ-AABGKKOBSA-N 2 1 316.489 3.303 20 0 DGADMP Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc4nccn43)C2)cc1 ZINC000368164452 293098498 /nfs/dbraw/zinc/09/84/98/293098498.db2.gz UQRIZSIBBOEHRL-QGZVFWFLSA-N 2 1 311.360 3.127 20 0 DGADMP Fc1ccc(O[C@@H]2CCN(Cc3cccc4nccn43)C2)cc1 ZINC000368164452 293098500 /nfs/dbraw/zinc/09/85/00/293098500.db2.gz UQRIZSIBBOEHRL-QGZVFWFLSA-N 2 1 311.360 3.127 20 0 DGADMP C[C@H](CC1CCCCC1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326830 293116439 /nfs/dbraw/zinc/11/64/39/293116439.db2.gz HZWSCCHJKIUMJW-UYAOXDASSA-N 2 1 321.553 3.305 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000370532507 293177168 /nfs/dbraw/zinc/17/71/68/293177168.db2.gz ATZAQJGPTWTTLN-IACUBPJLSA-N 2 1 309.841 3.021 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000370532507 293177172 /nfs/dbraw/zinc/17/71/72/293177172.db2.gz ATZAQJGPTWTTLN-IACUBPJLSA-N 2 1 309.841 3.021 20 0 DGADMP COc1ccc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000371330992 293210944 /nfs/dbraw/zinc/21/09/44/293210944.db2.gz ZYEALDXSZKYDTO-GOSISDBHSA-N 2 1 302.462 3.359 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CCn3ccnc3)C2)c1 ZINC000372350386 293237620 /nfs/dbraw/zinc/23/76/20/293237620.db2.gz RNYQYIHLIBNOMI-AWEZNQCLSA-N 2 1 309.335 3.391 20 0 DGADMP CCCc1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000374075848 293349541 /nfs/dbraw/zinc/34/95/41/293349541.db2.gz XLQUQGIKYFSXRL-UHFFFAOYSA-N 2 1 307.507 3.403 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374375570 293391188 /nfs/dbraw/zinc/39/11/88/293391188.db2.gz SDLJJENAYPHFMZ-ZWKOTPCHSA-N 2 1 308.510 3.293 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000449061379 433716447 /nfs/dbraw/zinc/71/64/47/433716447.db2.gz IJGOJOAJZRMZNB-GOSISDBHSA-N 2 1 302.462 3.187 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000414560227 433721204 /nfs/dbraw/zinc/72/12/04/433721204.db2.gz WPJJBUGGXAYDOY-YJBOKZPZSA-N 2 1 311.429 3.050 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414655422 433771421 /nfs/dbraw/zinc/77/14/21/433771421.db2.gz LCAQPWQCSWDWFU-CQSZACIVSA-N 2 1 300.368 3.445 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)c(F)c1 ZINC000421839221 433762092 /nfs/dbraw/zinc/76/20/92/433762092.db2.gz WYTZSBABFSNMOQ-SFHVURJKSA-N 2 1 306.425 3.383 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421839387 433764077 /nfs/dbraw/zinc/76/40/77/433764077.db2.gz XGFPASOYPGQORE-MJGOQNOKSA-N 2 1 315.505 3.287 20 0 DGADMP C[C@@H](CCc1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432349884 433823441 /nfs/dbraw/zinc/82/34/41/433823441.db2.gz YIKIBLSAKGRQNC-RBUKOAKNSA-N 2 1 318.505 3.346 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852889 433775496 /nfs/dbraw/zinc/77/54/96/433775496.db2.gz IBFDESVDHUQGAX-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(O)CCC1 ZINC000421852889 433775504 /nfs/dbraw/zinc/77/55/04/433775504.db2.gz IBFDESVDHUQGAX-PKOBYXMFSA-N 2 1 316.489 3.182 20 0 DGADMP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000430655988 433795793 /nfs/dbraw/zinc/79/57/93/433795793.db2.gz SLVSRXGJBLZFAH-UHFFFAOYSA-N 2 1 316.367 3.160 20 0 DGADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CCC[NH2+]CC1 ZINC000430655988 433795800 /nfs/dbraw/zinc/79/58/00/433795800.db2.gz SLVSRXGJBLZFAH-UHFFFAOYSA-N 2 1 316.367 3.160 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414705272 433800845 /nfs/dbraw/zinc/80/08/45/433800845.db2.gz LHFLPMOLRXDBDC-XYJFISCASA-N 2 1 304.478 3.194 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414708035 433804340 /nfs/dbraw/zinc/80/43/40/433804340.db2.gz ONPFEMSNZWEENR-MBOZVWFJSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414746567 433816392 /nfs/dbraw/zinc/81/63/92/433816392.db2.gz SHNLEJFMZRNGCZ-UWVGGRQHSA-N 2 1 318.305 3.191 20 0 DGADMP C[N@H+](Cc1c(OC(F)F)ccc2ccccc21)C1CC([NH3+])C1 ZINC000414767344 433819401 /nfs/dbraw/zinc/81/94/01/433819401.db2.gz FULFRONKRRZUNW-UHFFFAOYSA-N 2 1 306.356 3.363 20 0 DGADMP C[N@@H+](Cc1c(OC(F)F)ccc2ccccc21)C1CC([NH3+])C1 ZINC000414767344 433819413 /nfs/dbraw/zinc/81/94/13/433819413.db2.gz FULFRONKRRZUNW-UHFFFAOYSA-N 2 1 306.356 3.363 20 0 DGADMP C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000414768064 433825489 /nfs/dbraw/zinc/82/54/89/433825489.db2.gz HDUMVHVJJICVQZ-UHFFFAOYSA-N 2 1 324.350 3.017 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000414768064 433825500 /nfs/dbraw/zinc/82/55/00/433825500.db2.gz HDUMVHVJJICVQZ-UHFFFAOYSA-N 2 1 324.350 3.017 20 0 DGADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000435442026 433873900 /nfs/dbraw/zinc/87/39/00/433873900.db2.gz IZRRZPAHKPTYIR-INIZCTEOSA-N 2 1 307.507 3.443 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414837274 433874736 /nfs/dbraw/zinc/87/47/36/433874736.db2.gz JJUKFSORSLFLSL-DYVFJYSZSA-N 2 1 321.440 3.040 20 0 DGADMP Fc1ccc(C(C[NH2+]C[C@@H]2CCC[NH2+]2)c2ccc(F)cc2)cc1 ZINC000414839113 433875041 /nfs/dbraw/zinc/87/50/41/433875041.db2.gz FSRZTWDJFIEGHS-SFHVURJKSA-N 2 1 316.395 3.438 20 0 DGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)c(SC)cc1OC ZINC000414840577 433876700 /nfs/dbraw/zinc/87/67/00/433876700.db2.gz KNTSWTVSBITYEP-UHFFFAOYSA-N 2 1 324.490 3.177 20 0 DGADMP CC(C)[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775250 433826259 /nfs/dbraw/zinc/82/62/59/433826259.db2.gz GIHMMNDHQRQMOO-RTBURBONSA-N 2 1 316.489 3.114 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414773983 433826866 /nfs/dbraw/zinc/82/68/66/433826866.db2.gz FAWCRSOZHOYKIO-CQSZACIVSA-N 2 1 322.518 3.233 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000414842207 433877340 /nfs/dbraw/zinc/87/73/40/433877340.db2.gz YTMDAILYPFZRBK-NSISKUIASA-N 2 1 309.457 3.112 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414779880 433828185 /nfs/dbraw/zinc/82/81/85/433828185.db2.gz KVAHPWLDHRHUOW-CABCVRRESA-N 2 1 308.853 3.170 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414779995 433830229 /nfs/dbraw/zinc/83/02/29/433830229.db2.gz KZVKLJAPVKMMDA-ROUUACIJSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414775703 433830329 /nfs/dbraw/zinc/83/03/29/433830329.db2.gz GMPZMMYMENYGSH-QZTJIDSGSA-N 2 1 324.472 3.207 20 0 DGADMP FC(F)(F)c1cccc(CCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000414782590 433830408 /nfs/dbraw/zinc/83/04/08/433830408.db2.gz FEMRMLKZYFQHKV-ZBFHGGJFSA-N 2 1 312.379 3.322 20 0 DGADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000414782590 433830416 /nfs/dbraw/zinc/83/04/16/433830416.db2.gz FEMRMLKZYFQHKV-ZBFHGGJFSA-N 2 1 312.379 3.322 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414779992 433831376 /nfs/dbraw/zinc/83/13/76/433831376.db2.gz KZVKLJAPVKMMDA-QZTJIDSGSA-N 2 1 302.462 3.167 20 0 DGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414783197 433832973 /nfs/dbraw/zinc/83/29/73/433832973.db2.gz POBMBFMLESDVND-KBPBESRZSA-N 2 1 307.507 3.262 20 0 DGADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1-c1ccccc1 ZINC000414788998 433833384 /nfs/dbraw/zinc/83/33/84/433833384.db2.gz XQFZNUSRZUVMSY-ZWKOTPCHSA-N 2 1 324.472 3.002 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414789245 433833885 /nfs/dbraw/zinc/83/38/85/433833885.db2.gz YEWBZIWKVWEXJC-JKSUJKDBSA-N 2 1 313.420 3.195 20 0 DGADMP CCCC1CCC(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000414783691 433835157 /nfs/dbraw/zinc/83/51/57/433835157.db2.gz QJVWJVSJMIKBER-ABHNRTSZSA-N 2 1 308.510 3.280 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000343988925 433839108 /nfs/dbraw/zinc/83/91/08/433839108.db2.gz OYSAVQXWMCMQJA-FRQCXROJSA-N 2 1 302.462 3.325 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414791257 433840534 /nfs/dbraw/zinc/84/05/34/433840534.db2.gz BDAIJVHOJXLENZ-LSDHHAIUSA-N 2 1 301.459 3.417 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2O1 ZINC000414789718 433840848 /nfs/dbraw/zinc/84/08/48/433840848.db2.gz YOCBWUVJLMNART-DLBZAZTESA-N 2 1 314.473 3.222 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293741967 433850595 /nfs/dbraw/zinc/85/05/95/433850595.db2.gz VVSLBVCXWIPUQI-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293741967 433850601 /nfs/dbraw/zinc/85/06/01/433850601.db2.gz VVSLBVCXWIPUQI-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293741967 433850609 /nfs/dbraw/zinc/85/06/09/433850609.db2.gz VVSLBVCXWIPUQI-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293741967 433850616 /nfs/dbraw/zinc/85/06/16/433850616.db2.gz VVSLBVCXWIPUQI-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335661 433856010 /nfs/dbraw/zinc/85/60/10/433856010.db2.gz HRDZLEMAHDXHNH-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335661 433856019 /nfs/dbraw/zinc/85/60/19/433856019.db2.gz HRDZLEMAHDXHNH-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335661 433856025 /nfs/dbraw/zinc/85/60/25/433856025.db2.gz HRDZLEMAHDXHNH-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335661 433856034 /nfs/dbraw/zinc/85/60/34/433856034.db2.gz HRDZLEMAHDXHNH-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)no2)CC1)CC1CC1 ZINC000357088281 433856384 /nfs/dbraw/zinc/85/63/84/433856384.db2.gz RDASCYZHTZQCDK-UHFFFAOYSA-N 2 1 305.466 3.317 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414818827 433856614 /nfs/dbraw/zinc/85/66/14/433856614.db2.gz WSYRNTGFTZTEKU-YTQUADARSA-N 2 1 303.494 3.147 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414818824 433859042 /nfs/dbraw/zinc/85/90/42/433859042.db2.gz WSYRNTGFTZTEKU-BHIYHBOVSA-N 2 1 303.494 3.147 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000414818732 433860071 /nfs/dbraw/zinc/86/00/71/433860071.db2.gz WLWDHAIJDNLHEQ-CVEARBPZSA-N 2 1 305.466 3.128 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414823068 433862417 /nfs/dbraw/zinc/86/24/17/433862417.db2.gz AQHQJERMKXFMIT-WDEREUQCSA-N 2 1 315.230 3.066 20 0 DGADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000357105302 433865919 /nfs/dbraw/zinc/86/59/19/433865919.db2.gz NUZLMRJLMILYHC-UHFFFAOYSA-N 2 1 305.249 3.179 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000414916227 433917698 /nfs/dbraw/zinc/91/76/98/433917698.db2.gz PDNMGUSQNJDZDR-QRQLOZEOSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000422561876 433919651 /nfs/dbraw/zinc/91/96/51/433919651.db2.gz NWPKLWVTPOSDQW-NTZNESFSSA-N 2 1 316.367 3.232 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000422561876 433919662 /nfs/dbraw/zinc/91/96/62/433919662.db2.gz NWPKLWVTPOSDQW-NTZNESFSSA-N 2 1 316.367 3.232 20 0 DGADMP CC1CC[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436274389 433924742 /nfs/dbraw/zinc/92/47/42/433924742.db2.gz MBJYXUIDUSBEFY-UHFFFAOYSA-N 2 1 318.490 3.350 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCC3CCCCC3)C2)CC1 ZINC000377614027 433925849 /nfs/dbraw/zinc/92/58/49/433925849.db2.gz GTJQOHZMJVKIAV-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436293629 433927424 /nfs/dbraw/zinc/92/74/24/433927424.db2.gz OSNCFBJCEGJLHC-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293629 433927436 /nfs/dbraw/zinc/92/74/36/433927436.db2.gz OSNCFBJCEGJLHC-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293629 433927448 /nfs/dbraw/zinc/92/74/48/433927448.db2.gz OSNCFBJCEGJLHC-NEWSRXKRSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414944475 433930857 /nfs/dbraw/zinc/93/08/57/433930857.db2.gz GUZXLQPNIFHHAZ-RDJZCZTQSA-N 2 1 312.461 3.226 20 0 DGADMP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297615 433933171 /nfs/dbraw/zinc/93/31/71/433933171.db2.gz XWNPZSNFNXYAQN-FCGDIQPGSA-N 2 1 318.505 3.331 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000414848585 433879708 /nfs/dbraw/zinc/87/97/08/433879708.db2.gz PZWBEBYAIUEUFE-IPELMVKDSA-N 2 1 303.494 3.130 20 0 DGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000414853431 433882268 /nfs/dbraw/zinc/88/22/68/433882268.db2.gz SLHQXKPKJMHWBW-CYBMUJFWSA-N 2 1 316.392 3.150 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414852781 433882338 /nfs/dbraw/zinc/88/23/38/433882338.db2.gz RQEHCAHVGVRBGM-QAPCUYQASA-N 2 1 317.477 3.209 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000293827857 433884661 /nfs/dbraw/zinc/88/46/61/433884661.db2.gz DQHLVKKBFHMPFP-IRXDYDNUSA-N 2 1 304.478 3.425 20 0 DGADMP Fc1ccc(C(C[NH2+][C@H]2CC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000414863479 433890375 /nfs/dbraw/zinc/89/03/75/433890375.db2.gz AQVQSASPUFQSRS-KRWDZBQOSA-N 2 1 302.368 3.048 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861761 433892877 /nfs/dbraw/zinc/89/28/77/433892877.db2.gz WTUXXSZPJINOGS-LCLWPZTBSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861761 433892883 /nfs/dbraw/zinc/89/28/83/433892883.db2.gz WTUXXSZPJINOGS-LCLWPZTBSA-N 2 1 315.505 3.017 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000285425199 433944222 /nfs/dbraw/zinc/94/42/22/433944222.db2.gz WBZHMQQGSBZLST-CMTQZCSUSA-N 2 1 316.489 3.302 20 0 DGADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000285425199 433944231 /nfs/dbraw/zinc/94/42/31/433944231.db2.gz WBZHMQQGSBZLST-CMTQZCSUSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000285418688 433944651 /nfs/dbraw/zinc/94/46/51/433944651.db2.gz YCEZQWDOKOOWDE-HDYDNRTBSA-N 2 1 316.489 3.446 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+]CCCn1cc[nH+]c1C ZINC000352158988 433946341 /nfs/dbraw/zinc/94/63/41/433946341.db2.gz QHWJTFWXBYHBIP-DTQAZKPQSA-N 2 1 313.445 3.421 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OC)c(OC)c1 ZINC000285437203 433948635 /nfs/dbraw/zinc/94/86/35/433948635.db2.gz LCCMGHGCXZVNMJ-JKSUJKDBSA-N 2 1 306.450 3.229 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414977266 433949645 /nfs/dbraw/zinc/94/96/45/433949645.db2.gz RAAJRIYSOJTAQO-MRXNPFEDSA-N 2 1 318.852 3.003 20 0 DGADMP COc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1OC ZINC000422725733 433949682 /nfs/dbraw/zinc/94/96/82/433949682.db2.gz YPBQKPBREHTOEE-HOCLYGCPSA-N 2 1 306.450 3.104 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)c2ccccc21 ZINC000422728096 433954826 /nfs/dbraw/zinc/95/48/26/433954826.db2.gz FBOFTQKOKXXFLS-UXHICEINSA-N 2 1 318.424 3.166 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422733650 433959282 /nfs/dbraw/zinc/95/92/82/433959282.db2.gz BQIQMLAHEMAQQL-NSHDSACASA-N 2 1 318.490 3.454 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@H]4CCCCO4)C3)C2)cc1 ZINC000285471595 433963019 /nfs/dbraw/zinc/96/30/19/433963019.db2.gz HMYXJQDGMPJYLS-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@H]4CCCCO4)C3)C2)cc1 ZINC000285471595 433963024 /nfs/dbraw/zinc/96/30/24/433963024.db2.gz HMYXJQDGMPJYLS-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@H]4CCCCO4)C3)C2)cc1 ZINC000285471595 433963034 /nfs/dbraw/zinc/96/30/34/433963034.db2.gz HMYXJQDGMPJYLS-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP CC(C)COc1cccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000414997555 433963264 /nfs/dbraw/zinc/96/32/64/433963264.db2.gz HVHJHXNNNXYKNC-OAHLLOKOSA-N 2 1 312.404 3.056 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000422740470 433967613 /nfs/dbraw/zinc/96/76/13/433967613.db2.gz BWHLOAGEDIDFPQ-JYJNAYRXSA-N 2 1 309.523 3.237 20 0 DGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccccc2F)cc1 ZINC000415005103 433969838 /nfs/dbraw/zinc/96/98/38/433969838.db2.gz OVZGSINYIVJDGN-AEFFLSMTSA-N 2 1 316.395 3.448 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c2cccs2)CC1 ZINC000422748836 433970544 /nfs/dbraw/zinc/97/05/44/433970544.db2.gz WMWNGARBVVCUEC-GVDBMIGSSA-N 2 1 321.534 3.238 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000422748837 433970576 /nfs/dbraw/zinc/97/05/76/433970576.db2.gz WMWNGARBVVCUEC-IXDOHACOSA-N 2 1 321.534 3.238 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751029 433974128 /nfs/dbraw/zinc/97/41/28/433974128.db2.gz BVHUUMVRVIHIBD-ZHALLVOQSA-N 2 1 317.521 3.045 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415054017 433974921 /nfs/dbraw/zinc/97/49/21/433974921.db2.gz PJIKQURZNIDSBT-IEBWSBKVSA-N 2 1 302.462 3.438 20 0 DGADMP CC1(C)C[NH+](C/C=C/C[N@H+]2CCSC(C)(C)C2)CCS1 ZINC000340195575 433981670 /nfs/dbraw/zinc/98/16/70/433981670.db2.gz AMEPWTHVUHHSNX-AATRIKPKSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1c[nH+]ccc1N ZINC000422762116 433984585 /nfs/dbraw/zinc/98/45/85/433984585.db2.gz NNTICDHBPCCPEH-PXAZEXFGSA-N 2 1 318.852 3.101 20 0 DGADMP CC[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422778874 433993294 /nfs/dbraw/zinc/99/32/94/433993294.db2.gz FGCSQBUBMITGQR-IRXDYDNUSA-N 2 1 315.486 3.473 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccncc1F ZINC000340213792 433991398 /nfs/dbraw/zinc/99/13/98/433991398.db2.gz QYIQZNKAFAMIQE-CQSZACIVSA-N 2 1 317.408 3.012 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@H](C)CC(C)C)CC2)nc(C)[nH+]1 ZINC000377649475 433939884 /nfs/dbraw/zinc/93/98/84/433939884.db2.gz MOMUWKHKMXXQNQ-CQSZACIVSA-N 2 1 304.482 3.334 20 0 DGADMP C[NH+](C/C=C/C[N@@H+](C)CCC(F)(F)F)CCC(F)(F)F ZINC000340146952 433940866 /nfs/dbraw/zinc/94/08/66/433940866.db2.gz RLLSJKNOPFLKJN-ONEGZZNKSA-N 2 1 306.294 3.311 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422792960 434004192 /nfs/dbraw/zinc/00/41/92/434004192.db2.gz FFHVNVRBTNXDEI-UONOGXRCSA-N 2 1 302.340 3.335 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000285611688 434011908 /nfs/dbraw/zinc/01/19/08/434011908.db2.gz KHDLIQBNLIXQEC-GJZGRUSLSA-N 2 1 306.450 3.005 20 0 DGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340300640 434046532 /nfs/dbraw/zinc/04/65/32/434046532.db2.gz KKUVJHARQCYOEH-MOPGFXCFSA-N 2 1 324.472 3.227 20 0 DGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340300640 434046539 /nfs/dbraw/zinc/04/65/39/434046539.db2.gz KKUVJHARQCYOEH-MOPGFXCFSA-N 2 1 324.472 3.227 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340246858 434012188 /nfs/dbraw/zinc/01/21/88/434012188.db2.gz YBUZEJVDYIGNPN-OKZBNKHCSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340246858 434012196 /nfs/dbraw/zinc/01/21/96/434012196.db2.gz YBUZEJVDYIGNPN-OKZBNKHCSA-N 2 1 304.478 3.209 20 0 DGADMP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCCN1 ZINC000422841551 434046540 /nfs/dbraw/zinc/04/65/40/434046540.db2.gz WKFHLSSJSWTKAL-OALUTQOASA-N 2 1 309.542 3.255 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340254489 434014799 /nfs/dbraw/zinc/01/47/99/434014799.db2.gz ONEPLSCBNGDMKQ-NQYYFHDYSA-N 2 1 304.478 3.209 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340254489 434014812 /nfs/dbraw/zinc/01/48/12/434014812.db2.gz ONEPLSCBNGDMKQ-NQYYFHDYSA-N 2 1 304.478 3.209 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422800865 434015780 /nfs/dbraw/zinc/01/57/80/434015780.db2.gz DDBDAKNZHJJWQL-LSDHHAIUSA-N 2 1 316.367 3.377 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(C)COC2)C1 ZINC000285620837 434016064 /nfs/dbraw/zinc/01/60/64/434016064.db2.gz ZIWSRDPSVLRIHD-INIZCTEOSA-N 2 1 302.462 3.045 20 0 DGADMP CN(CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000422804210 434016174 /nfs/dbraw/zinc/01/61/74/434016174.db2.gz DVWNFZPSQYKSMV-QUCCMNQESA-N 2 1 309.457 3.206 20 0 DGADMP CCOCc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422804280 434017052 /nfs/dbraw/zinc/01/70/52/434017052.db2.gz HEXOQYOWQKSXPH-JXFKEZNVSA-N 2 1 312.457 3.271 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422801630 434017469 /nfs/dbraw/zinc/01/74/69/434017469.db2.gz CFGWFLONYLANFO-NHCUHLMSSA-N 3 1 323.484 3.331 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340253735 434017751 /nfs/dbraw/zinc/01/77/51/434017751.db2.gz BPFJPVVWGOMKDB-NSISKUIASA-N 2 1 309.457 3.438 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340253735 434017763 /nfs/dbraw/zinc/01/77/63/434017763.db2.gz BPFJPVVWGOMKDB-NSISKUIASA-N 2 1 309.457 3.438 20 0 DGADMP CC(C)(O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000393651731 293832587 /nfs/dbraw/zinc/83/25/87/293832587.db2.gz POZYUXZIYHJYNA-UHFFFAOYSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340257064 434019720 /nfs/dbraw/zinc/01/97/20/434019720.db2.gz JSFRETHEWIYFPT-DLBZAZTESA-N 2 1 318.461 3.143 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340257064 434019728 /nfs/dbraw/zinc/01/97/28/434019728.db2.gz JSFRETHEWIYFPT-DLBZAZTESA-N 2 1 318.461 3.143 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422810307 434019968 /nfs/dbraw/zinc/01/99/68/434019968.db2.gz RIWFEAJUHLOJND-XUVXKRRUSA-N 2 1 315.505 3.149 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806841 434020559 /nfs/dbraw/zinc/02/05/59/434020559.db2.gz NXMYZFFEHMHBSK-GVDBMIGSSA-N 2 1 301.459 3.085 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000340270147 434024900 /nfs/dbraw/zinc/02/49/00/434024900.db2.gz BACSYPPYSZFXKY-RWQQGDIJSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000340270147 434024906 /nfs/dbraw/zinc/02/49/06/434024906.db2.gz BACSYPPYSZFXKY-RWQQGDIJSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266672 434025715 /nfs/dbraw/zinc/02/57/15/434025715.db2.gz VGOXBRFRFBAGTG-ZYSHUDEJSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000340266672 434025721 /nfs/dbraw/zinc/02/57/21/434025721.db2.gz VGOXBRFRFBAGTG-ZYSHUDEJSA-N 2 1 302.462 3.227 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)c2ccccc21 ZINC000422825408 434030053 /nfs/dbraw/zinc/03/00/53/434030053.db2.gz AEOYGAXMZXUIMY-WOJBJXKFSA-N 2 1 318.424 3.166 20 0 DGADMP C[N@@H+](CCCOCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285665326 434030678 /nfs/dbraw/zinc/03/06/78/434030678.db2.gz ZJAOYCMEIABBNQ-DFNIBXOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+](CCCOCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285665326 434030690 /nfs/dbraw/zinc/03/06/90/434030690.db2.gz ZJAOYCMEIABBNQ-DFNIBXOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[NH+](CCCOCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285665326 434030701 /nfs/dbraw/zinc/03/07/01/434030701.db2.gz ZJAOYCMEIABBNQ-DFNIBXOVSA-N 2 1 302.462 3.150 20 0 DGADMP CC[C@@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831078 434037417 /nfs/dbraw/zinc/03/74/17/434037417.db2.gz WFJKYRLWTYDWKF-QRQLOZEOSA-N 2 1 303.494 3.017 20 0 DGADMP CC1(C)Cc2occc2[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000305104303 434041405 /nfs/dbraw/zinc/04/14/05/434041405.db2.gz CIOFQLZPXNXUAI-WBVHZDCISA-N 2 1 320.477 3.120 20 0 DGADMP CC[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841928 434046163 /nfs/dbraw/zinc/04/61/63/434046163.db2.gz XIEAYDDIBTVLFG-NXHRZFHOSA-N 2 1 321.534 3.080 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422784321 433997013 /nfs/dbraw/zinc/99/70/13/433997013.db2.gz NZHHTCPFCZCTRS-NMLBUPMWSA-N 2 1 315.505 3.108 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861183 434063490 /nfs/dbraw/zinc/06/34/90/434063490.db2.gz MMZLVKXYWYMKLZ-ABSDTBQOSA-N 2 1 315.505 3.149 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422866680 434064211 /nfs/dbraw/zinc/06/42/11/434064211.db2.gz QRNQBKVNSGXATD-PMACEKPBSA-N 2 1 310.441 3.373 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422870103 434064857 /nfs/dbraw/zinc/06/48/57/434064857.db2.gz YLMSAMRWRMWEIY-LPHOPBHVSA-N 3 1 303.494 3.005 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422866681 434067997 /nfs/dbraw/zinc/06/79/97/434067997.db2.gz QRNQBKVNSGXATD-UXHICEINSA-N 2 1 310.441 3.373 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909687 434100366 /nfs/dbraw/zinc/10/03/66/434100366.db2.gz ORYSDQFELCTOKD-BHIYHBOVSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422880767 434078776 /nfs/dbraw/zinc/07/87/76/434078776.db2.gz MRAROQNLEAIBGU-ULQDDVLXSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881440 434079216 /nfs/dbraw/zinc/07/92/16/434079216.db2.gz NPPVHOJKKORPHD-ATZDWAIDSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881440 434079225 /nfs/dbraw/zinc/07/92/25/434079225.db2.gz NPPVHOJKKORPHD-ATZDWAIDSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881440 434079232 /nfs/dbraw/zinc/07/92/32/434079232.db2.gz NPPVHOJKKORPHD-ATZDWAIDSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422881440 434079236 /nfs/dbraw/zinc/07/92/36/434079236.db2.gz NPPVHOJKKORPHD-ATZDWAIDSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422881440 434079243 /nfs/dbraw/zinc/07/92/43/434079243.db2.gz NPPVHOJKKORPHD-ATZDWAIDSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422883788 434084104 /nfs/dbraw/zinc/08/41/04/434084104.db2.gz RCMYRLUYAAGQCE-BBWFWOEESA-N 3 1 303.494 3.276 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)[C@H]1CCCc2ccccc21 ZINC000340369630 434092394 /nfs/dbraw/zinc/09/23/94/434092394.db2.gz GSCNQANYYNTOQC-ICSRJNTNSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000340369630 434092409 /nfs/dbraw/zinc/09/24/09/434092409.db2.gz GSCNQANYYNTOQC-ICSRJNTNSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000340369630 434092412 /nfs/dbraw/zinc/09/24/12/434092412.db2.gz GSCNQANYYNTOQC-ICSRJNTNSA-N 2 1 316.489 3.233 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)[C@H]1CCCc2ccccc21 ZINC000340369631 434094060 /nfs/dbraw/zinc/09/40/60/434094060.db2.gz GSCNQANYYNTOQC-QUCCMNQESA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000340369631 434094063 /nfs/dbraw/zinc/09/40/63/434094063.db2.gz GSCNQANYYNTOQC-QUCCMNQESA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000340369631 434094072 /nfs/dbraw/zinc/09/40/72/434094072.db2.gz GSCNQANYYNTOQC-QUCCMNQESA-N 2 1 316.489 3.233 20 0 DGADMP C[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685893 434097012 /nfs/dbraw/zinc/09/70/12/434097012.db2.gz ASMGAXHHQOWPIM-ICSRJNTNSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309685893 434097018 /nfs/dbraw/zinc/09/70/18/434097018.db2.gz ASMGAXHHQOWPIM-ICSRJNTNSA-N 2 1 316.489 3.134 20 0 DGADMP COc1ccc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422900363 434097500 /nfs/dbraw/zinc/09/75/00/434097500.db2.gz QFSUZOCBMUSSAW-RBUKOAKNSA-N 2 1 312.413 3.199 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161555 434098471 /nfs/dbraw/zinc/09/84/71/434098471.db2.gz RDDSDNPPAPRTQL-AQNXPRMDSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000378161555 434098480 /nfs/dbraw/zinc/09/84/80/434098480.db2.gz RDDSDNPPAPRTQL-AQNXPRMDSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000378161555 434098487 /nfs/dbraw/zinc/09/84/87/434098487.db2.gz RDDSDNPPAPRTQL-AQNXPRMDSA-N 2 1 321.553 3.447 20 0 DGADMP CC[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841927 434048311 /nfs/dbraw/zinc/04/83/11/434048311.db2.gz XIEAYDDIBTVLFG-NJAFHUGGSA-N 2 1 321.534 3.080 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422849779 434051883 /nfs/dbraw/zinc/05/18/83/434051883.db2.gz COPFZIOTJDTMDZ-MPGHIAIKSA-N 3 1 312.461 3.219 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422855098 434054616 /nfs/dbraw/zinc/05/46/16/434054616.db2.gz DMKIJUQGJFOZQR-IAGOWNOFSA-N 3 1 303.494 3.278 20 0 DGADMP CCN(CC[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C)c1 ZINC000459368634 293967723 /nfs/dbraw/zinc/96/77/23/293967723.db2.gz NLWBBCGGOMXABL-UHFFFAOYSA-N 2 1 301.478 3.038 20 0 DGADMP c1ccc(N2CCC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000459510678 293980177 /nfs/dbraw/zinc/98/01/77/293980177.db2.gz XEEYUXYXQWUXLC-KRWDZBQOSA-N 2 1 313.489 3.119 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310006294 434109170 /nfs/dbraw/zinc/10/91/70/434109170.db2.gz HUJPSUHHRQUCTL-PKOBYXMFSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310006294 434109180 /nfs/dbraw/zinc/10/91/80/434109180.db2.gz HUJPSUHHRQUCTL-PKOBYXMFSA-N 2 1 303.494 3.006 20 0 DGADMP CC[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]1 ZINC000422914849 434109244 /nfs/dbraw/zinc/10/92/44/434109244.db2.gz WGIDDMMAMYNFOL-OLZOCXBDSA-N 2 1 322.403 3.094 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000422925992 434113269 /nfs/dbraw/zinc/11/32/69/434113269.db2.gz CEMIUZUEUUFVOR-WMZOPIPTSA-N 2 1 314.404 3.417 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363616961 434101356 /nfs/dbraw/zinc/10/13/56/434101356.db2.gz ZQSNSCJOVBSCAM-MSOLQXFVSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363616961 434101367 /nfs/dbraw/zinc/10/13/67/434101367.db2.gz ZQSNSCJOVBSCAM-MSOLQXFVSA-N 2 1 310.445 3.102 20 0 DGADMP CCCCC[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500072054 294103024 /nfs/dbraw/zinc/10/30/24/294103024.db2.gz GEXPLUUOAGVUMI-IBGZPJMESA-N 2 1 309.542 3.447 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422944393 434126730 /nfs/dbraw/zinc/12/67/30/434126730.db2.gz MFYPPYWMUAMHBO-QGTPRVQTSA-N 2 1 317.477 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000502272490 294160679 /nfs/dbraw/zinc/16/06/79/294160679.db2.gz HYPHOFRGPDBDMU-INIZCTEOSA-N 2 1 302.462 3.175 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000502272490 294160683 /nfs/dbraw/zinc/16/06/83/294160683.db2.gz HYPHOFRGPDBDMU-INIZCTEOSA-N 2 1 302.462 3.175 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)cc1F ZINC000503868844 294203542 /nfs/dbraw/zinc/20/35/42/294203542.db2.gz CANQRVHTBFPAGH-HYUSYPKPSA-N 2 1 320.452 3.399 20 0 DGADMP COCC[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000507154395 294284757 /nfs/dbraw/zinc/28/47/57/294284757.db2.gz JCTBGBZAGIXBKT-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP COCC[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000507154395 294284761 /nfs/dbraw/zinc/28/47/61/294284761.db2.gz JCTBGBZAGIXBKT-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP COCC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000507154395 294284763 /nfs/dbraw/zinc/28/47/63/294284763.db2.gz JCTBGBZAGIXBKT-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP COCC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000507154395 294284767 /nfs/dbraw/zinc/28/47/67/294284767.db2.gz JCTBGBZAGIXBKT-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000509960085 294370100 /nfs/dbraw/zinc/37/01/00/294370100.db2.gz YVGZXVLCQMBVEM-DNVCBOLYSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422948217 434134297 /nfs/dbraw/zinc/13/42/97/434134297.db2.gz RNDPUFWSJPKLEP-DAYGRLMNSA-N 2 1 311.429 3.082 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(Cl)c1 ZINC000422950689 434134958 /nfs/dbraw/zinc/13/49/58/434134958.db2.gz WNISKUSJVOBLNO-KBXCAEBGSA-N 2 1 318.848 3.267 20 0 DGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000457381307 434135941 /nfs/dbraw/zinc/13/59/41/434135941.db2.gz QUYBBRTUFKGCNB-LJQANCHMSA-N 2 1 323.440 3.057 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC000363785529 434143172 /nfs/dbraw/zinc/14/31/72/434143172.db2.gz FPUFDVOBIDBZQI-HNAYVOBHSA-N 2 1 319.468 3.114 20 0 DGADMP C[C@H](CCNc1[nH+]cnc2[nH]ccc21)[N@H+](C)Cc1ccccc1 ZINC000353448617 434143603 /nfs/dbraw/zinc/14/36/03/434143603.db2.gz KTVMTHINJFRSJU-CQSZACIVSA-N 2 1 309.417 3.232 20 0 DGADMP C[C@H](CCNc1[nH+]cnc2[nH]ccc21)[N@@H+](C)Cc1ccccc1 ZINC000353448617 434143610 /nfs/dbraw/zinc/14/36/10/434143610.db2.gz KTVMTHINJFRSJU-CQSZACIVSA-N 2 1 309.417 3.232 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000353453201 434144582 /nfs/dbraw/zinc/14/45/82/434144582.db2.gz DYVGWYZWZQIFIK-UONOGXRCSA-N 2 1 324.490 3.307 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000363790499 434148835 /nfs/dbraw/zinc/14/88/35/434148835.db2.gz GLCMVCZSWJKYHL-HZSPNIEDSA-N 2 1 305.491 3.299 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000363790499 434148845 /nfs/dbraw/zinc/14/88/45/434148845.db2.gz GLCMVCZSWJKYHL-HZSPNIEDSA-N 2 1 305.491 3.299 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000363790490 434151148 /nfs/dbraw/zinc/15/11/48/434151148.db2.gz GLCMVCZSWJKYHL-BFHYXJOUSA-N 2 1 305.491 3.299 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000363790490 434151155 /nfs/dbraw/zinc/15/11/55/434151155.db2.gz GLCMVCZSWJKYHL-BFHYXJOUSA-N 2 1 305.491 3.299 20 0 DGADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340478004 434151323 /nfs/dbraw/zinc/15/13/23/434151323.db2.gz ZSIUJMFNBZAYIN-SFHVURJKSA-N 2 1 302.462 3.481 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(C)c1 ZINC000353464791 434152200 /nfs/dbraw/zinc/15/22/00/434152200.db2.gz VJCDTRSHTCZLKS-HXUWFJFHSA-N 2 1 317.521 3.453 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423010209 434161271 /nfs/dbraw/zinc/16/12/71/434161271.db2.gz FWDGRXYVCUPWAB-RDJZCZTQSA-N 2 1 317.477 3.413 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423010208 434161414 /nfs/dbraw/zinc/16/14/14/434161414.db2.gz FWDGRXYVCUPWAB-NVXWUHKLSA-N 2 1 317.477 3.413 20 0 DGADMP CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000423010111 434163981 /nfs/dbraw/zinc/16/39/81/434163981.db2.gz WZPCQTCMSQIAMV-DYVFJYSZSA-N 2 1 317.433 3.042 20 0 DGADMP Cn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(-c2ccccc2)n1 ZINC000423028530 434170747 /nfs/dbraw/zinc/17/07/47/434170747.db2.gz GOVSHNHGRZKSQN-MOPGFXCFSA-N 2 1 318.424 3.322 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000346175314 434172185 /nfs/dbraw/zinc/17/21/85/434172185.db2.gz QWHJAGPHVGGDNY-FQEVSTJZSA-N 2 1 318.424 3.393 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)([NH+](C)C)C1 ZINC000315787284 434172991 /nfs/dbraw/zinc/17/29/91/434172991.db2.gz FZUBAFKQZSJGPS-RXYDEIHYSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423034421 434175498 /nfs/dbraw/zinc/17/54/98/434175498.db2.gz PXCVPBRAGNAQCD-RSPOEFSDSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423031036 434176087 /nfs/dbraw/zinc/17/60/87/434176087.db2.gz CTGWFMVIPQSLPI-QITLCBANSA-N 2 1 315.392 3.204 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc2cccnc12 ZINC000346180597 434178741 /nfs/dbraw/zinc/17/87/41/434178741.db2.gz UETAYAKVVOJLJY-RTBURBONSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180597 434178746 /nfs/dbraw/zinc/17/87/46/434178746.db2.gz UETAYAKVVOJLJY-RTBURBONSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180597 434178755 /nfs/dbraw/zinc/17/87/55/434178755.db2.gz UETAYAKVVOJLJY-RTBURBONSA-N 2 1 309.457 3.459 20 0 DGADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000353499975 434179565 /nfs/dbraw/zinc/17/95/65/434179565.db2.gz DYDXTQNQHKZASN-QGZVFWFLSA-N 2 1 318.505 3.383 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCO1 ZINC000423037695 434183688 /nfs/dbraw/zinc/18/36/88/434183688.db2.gz WQNZBBRSDBGBRM-RWQQGDIJSA-N 2 1 302.462 3.275 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000353510918 434190529 /nfs/dbraw/zinc/19/05/29/434190529.db2.gz AMXPQYUWVUEOJM-UBHSHLNASA-N 2 1 310.463 3.058 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286219818 434198786 /nfs/dbraw/zinc/19/87/86/434198786.db2.gz SHVSDSMRTHVFCV-KKXNLOMOSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H](CCN(C)C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286219818 434198792 /nfs/dbraw/zinc/19/87/92/434198792.db2.gz SHVSDSMRTHVFCV-KKXNLOMOSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H](CCN(C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286219818 434198794 /nfs/dbraw/zinc/19/87/94/434198794.db2.gz SHVSDSMRTHVFCV-KKXNLOMOSA-N 2 1 317.521 3.359 20 0 DGADMP C[N@@H+](CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000317187154 434200670 /nfs/dbraw/zinc/20/06/70/434200670.db2.gz WREZIKUBNBKWKM-RTBURBONSA-N 2 1 301.478 3.375 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437063934 434209821 /nfs/dbraw/zinc/20/98/21/434209821.db2.gz GRRBXWBXCVQALI-GUYCJALGSA-N 2 1 319.880 3.304 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@H](C)C1 ZINC000437095845 434213380 /nfs/dbraw/zinc/21/33/80/434213380.db2.gz KQJRHSZVPNSUIE-AEFFLSMTSA-N 2 1 303.494 3.351 20 0 DGADMP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000295118943 434215279 /nfs/dbraw/zinc/21/52/79/434215279.db2.gz YHBUFWJTQFZNPK-KYJSFNMBSA-N 2 1 321.534 3.084 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000295126123 434219273 /nfs/dbraw/zinc/21/92/73/434219273.db2.gz XIPPUYAHTDJCCC-OQIJWPOYSA-N 2 1 316.489 3.036 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423101849 434219828 /nfs/dbraw/zinc/21/98/28/434219828.db2.gz DHKHMFOTVIJZJL-PWSUYJOCSA-N 2 1 315.230 3.381 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573015 434239617 /nfs/dbraw/zinc/23/96/17/434239617.db2.gz UBWYYUPZBAWHHO-IAGOWNOFSA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573015 434239636 /nfs/dbraw/zinc/23/96/36/434239636.db2.gz UBWYYUPZBAWHHO-IAGOWNOFSA-N 2 1 321.509 3.006 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000320585653 434240564 /nfs/dbraw/zinc/24/05/64/434240564.db2.gz BMNFWSPSUSBUNF-HOTGVXAUSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423141811 434242280 /nfs/dbraw/zinc/24/22/80/434242280.db2.gz RWIFHQJSPSCLRX-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423137166 434242970 /nfs/dbraw/zinc/24/29/70/434242970.db2.gz HUURFCYOWAJMKB-DLKVLKDVSA-N 2 1 323.278 3.425 20 0 DGADMP CSc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423142680 434243998 /nfs/dbraw/zinc/24/39/98/434243998.db2.gz BDYCGTSRVILGQB-NJAFHUGGSA-N 2 1 321.534 3.118 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423137164 434245284 /nfs/dbraw/zinc/24/52/84/434245284.db2.gz HUURFCYOWAJMKB-CUBALJKWSA-N 2 1 323.278 3.425 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000353580741 434245621 /nfs/dbraw/zinc/24/56/21/434245621.db2.gz XNCUMWRDEWVEEX-ZHALLVOQSA-N 2 1 309.542 3.348 20 0 DGADMP COC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000423148249 434247100 /nfs/dbraw/zinc/24/71/00/434247100.db2.gz FOCCXRSRXONIOV-TZMCWYRMSA-N 2 1 319.836 3.228 20 0 DGADMP COC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000423148247 434247559 /nfs/dbraw/zinc/24/75/59/434247559.db2.gz FOCCXRSRXONIOV-JSGCOSHPSA-N 2 1 319.836 3.228 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423194202 434276067 /nfs/dbraw/zinc/27/60/67/434276067.db2.gz YLVMTAIBAPAZFZ-SECBINFHSA-N 2 1 324.318 3.150 20 0 DGADMP COc1ncc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1Cl ZINC000423165491 434256633 /nfs/dbraw/zinc/25/66/33/434256633.db2.gz YDHNNJRFNCVVJJ-JSGCOSHPSA-N 2 1 311.857 3.144 20 0 DGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423162832 434256804 /nfs/dbraw/zinc/25/68/04/434256804.db2.gz QIXQCTOXYDQFRO-FQBWVUSXSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1c[nH+]ccc1N ZINC000423165966 434258121 /nfs/dbraw/zinc/25/81/21/434258121.db2.gz YOPRVRAOSPPXAM-JTQLQIEISA-N 2 1 309.772 3.016 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000379616180 434259128 /nfs/dbraw/zinc/25/91/28/434259128.db2.gz BTDUOMMWZRNUSP-QXAKKESOSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000379656530 434259726 /nfs/dbraw/zinc/25/97/26/434259726.db2.gz PLHRYUAMSVDELP-PIKOESSRSA-N 2 1 315.505 3.160 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176044 434262066 /nfs/dbraw/zinc/26/20/66/434262066.db2.gz BQRDEWKLGSAZOQ-ZDUSSCGKSA-N 2 1 315.486 3.445 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000353601069 434263911 /nfs/dbraw/zinc/26/39/11/434263911.db2.gz AEDOFXKSDMIIMN-CYBMUJFWSA-N 2 1 324.490 3.307 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423180751 434266273 /nfs/dbraw/zinc/26/62/73/434266273.db2.gz IWKORMZPBIEPPM-SECBINFHSA-N 2 1 304.768 3.344 20 0 DGADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)on2)cc1 ZINC000324029717 434270516 /nfs/dbraw/zinc/27/05/16/434270516.db2.gz RQZPAJNWRZKACC-CALCHBBNSA-N 2 1 311.429 3.081 20 0 DGADMP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000340656937 434272679 /nfs/dbraw/zinc/27/26/79/434272679.db2.gz FJNYXOHDUMUTHG-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000340656937 434272686 /nfs/dbraw/zinc/27/26/86/434272686.db2.gz FJNYXOHDUMUTHG-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000381983818 434273311 /nfs/dbraw/zinc/27/33/11/434273311.db2.gz NOTYFPLNYTYOLB-GTAWCEEGSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000295135554 434224722 /nfs/dbraw/zinc/22/47/22/434224722.db2.gz ZAJGYLVHCWRITL-HZTRTUMWSA-N 2 1 320.452 3.228 20 0 DGADMP COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499631 434228057 /nfs/dbraw/zinc/22/80/57/434228057.db2.gz JHQFXRPWUKQNHE-ZBFHGGJFSA-N 2 1 308.853 3.265 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000516310111 294603069 /nfs/dbraw/zinc/60/30/69/294603069.db2.gz IAUKKACIGFQSOB-UHFFFAOYSA-N 2 1 321.465 3.211 20 0 DGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423126938 434239621 /nfs/dbraw/zinc/23/96/21/434239621.db2.gz BGXHVJSRLIJXFU-QWHCGFSZSA-N 2 1 302.340 3.177 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c2)cn1 ZINC000353624640 434279641 /nfs/dbraw/zinc/27/96/41/434279641.db2.gz UHOUVDSMQXPLNM-HSALFYBXSA-N 2 1 324.472 3.050 20 0 DGADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000383942459 434287915 /nfs/dbraw/zinc/28/79/15/434287915.db2.gz VKBUNPXKCHWHBR-PCCBWWKXSA-N 2 1 321.468 3.390 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450600438 434288963 /nfs/dbraw/zinc/28/89/63/434288963.db2.gz NQICYBBCZHFQJP-DFQSSKMNSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450600438 434288972 /nfs/dbraw/zinc/28/89/72/434288972.db2.gz NQICYBBCZHFQJP-DFQSSKMNSA-N 2 1 319.537 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450600438 434288977 /nfs/dbraw/zinc/28/89/77/434288977.db2.gz NQICYBBCZHFQJP-DFQSSKMNSA-N 2 1 319.537 3.198 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218752 434290115 /nfs/dbraw/zinc/29/01/15/434290115.db2.gz VZKSXBDSHGULMH-OXJNMPFZSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384582056 434294670 /nfs/dbraw/zinc/29/46/70/434294670.db2.gz KUROWIJDHSHDRN-RWQQGDIJSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000358030550 434295089 /nfs/dbraw/zinc/29/50/89/434295089.db2.gz ATIFMYSJOKXHNB-OXJNMPFZSA-N 2 1 315.505 3.099 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340687604 434299509 /nfs/dbraw/zinc/29/95/09/434299509.db2.gz AUGMULDNKFQVIT-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340687604 434299512 /nfs/dbraw/zinc/29/95/12/434299512.db2.gz AUGMULDNKFQVIT-IBGZPJMESA-N 2 1 318.461 3.060 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(Br)cc1)[C@@H]1CCCC[NH2+]1 ZINC000385994542 434304847 /nfs/dbraw/zinc/30/48/47/434304847.db2.gz FKIUWJQAFPWIMP-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423245345 434308612 /nfs/dbraw/zinc/30/86/12/434308612.db2.gz ORJIQESDYJWADA-DKSSEZFCSA-N 2 1 301.478 3.025 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCCC[NH2+]1 ZINC000386165096 434310229 /nfs/dbraw/zinc/31/02/29/434310229.db2.gz VNKHSBBQEZREHS-JQWIXIFHSA-N 2 1 317.296 3.173 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000423253634 434313475 /nfs/dbraw/zinc/31/34/75/434313475.db2.gz ZFEYPQYBJRVXPM-IPMKNSEASA-N 2 1 301.478 3.026 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000358065128 434313346 /nfs/dbraw/zinc/31/33/46/434313346.db2.gz RLWALIDAVDPBQN-HXUWFJFHSA-N 2 1 324.472 3.223 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258993 434317369 /nfs/dbraw/zinc/31/73/69/434317369.db2.gz CUOHSERKAONPKM-XJKSGUPXSA-N 2 1 306.450 3.262 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383610 434322661 /nfs/dbraw/zinc/32/26/61/434322661.db2.gz JLGBPRFACVOOOU-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383610 434322670 /nfs/dbraw/zinc/32/26/70/434322670.db2.gz JLGBPRFACVOOOU-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000387383610 434322677 /nfs/dbraw/zinc/32/26/77/434322677.db2.gz JLGBPRFACVOOOU-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000387383610 434322694 /nfs/dbraw/zinc/32/26/94/434322694.db2.gz JLGBPRFACVOOOU-MJGOQNOKSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423270134 434326562 /nfs/dbraw/zinc/32/65/62/434326562.db2.gz GDCQQHLZYYQMLK-LSDHHAIUSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@@H](O)C[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353686007 434334526 /nfs/dbraw/zinc/33/45/26/434334526.db2.gz WJIBXCMZUWRNTJ-FDCMFXBMSA-N 2 1 304.478 3.179 20 0 DGADMP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423271470 434329063 /nfs/dbraw/zinc/32/90/63/434329063.db2.gz HOSVCDLBWGNIDE-CZUORRHYSA-N 2 1 306.450 3.262 20 0 DGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423269290 434329851 /nfs/dbraw/zinc/32/98/51/434329851.db2.gz FHCWDGCVISJDEW-KBPBESRZSA-N 2 1 302.340 3.363 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)sc1Br ZINC000423275719 434332651 /nfs/dbraw/zinc/33/26/51/434332651.db2.gz NNNZGDOQSADTTK-NXEZZACHSA-N 2 1 305.285 3.453 20 0 DGADMP CCC(CC)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390623828 434362420 /nfs/dbraw/zinc/36/24/20/434362420.db2.gz CSLKKVUPQBTMLT-IBGZPJMESA-N 2 1 304.478 3.303 20 0 DGADMP CCC(CC)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390623828 434362431 /nfs/dbraw/zinc/36/24/31/434362431.db2.gz CSLKKVUPQBTMLT-IBGZPJMESA-N 2 1 304.478 3.303 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423329535 434363729 /nfs/dbraw/zinc/36/37/29/434363729.db2.gz SXUVFHQCOJORAT-GJZGRUSLSA-N 2 1 309.251 3.153 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722219 434365028 /nfs/dbraw/zinc/36/50/28/434365028.db2.gz KKQRVZBRQRPNBL-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390722219 434365032 /nfs/dbraw/zinc/36/50/32/434365032.db2.gz KKQRVZBRQRPNBL-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000390646034 434365250 /nfs/dbraw/zinc/36/52/50/434365250.db2.gz MGEJCPOVGUAESW-OALUTQOASA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000390646034 434365261 /nfs/dbraw/zinc/36/52/61/434365261.db2.gz MGEJCPOVGUAESW-OALUTQOASA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000390646031 434365703 /nfs/dbraw/zinc/36/57/03/434365703.db2.gz MGEJCPOVGUAESW-MOPGFXCFSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000390646031 434365711 /nfs/dbraw/zinc/36/57/11/434365711.db2.gz MGEJCPOVGUAESW-MOPGFXCFSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423340904 434369536 /nfs/dbraw/zinc/36/95/36/434369536.db2.gz VZENLSYOBWILLG-IUODEOHRSA-N 2 1 311.267 3.489 20 0 DGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423339297 434372227 /nfs/dbraw/zinc/37/22/27/434372227.db2.gz ZNEKNUFBJHUULN-PMACEKPBSA-N 2 1 310.441 3.306 20 0 DGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)oc21 ZINC000423349713 434375989 /nfs/dbraw/zinc/37/59/89/434375989.db2.gz WETLMEDWYIBJJK-UGSOOPFHSA-N 2 1 302.418 3.482 20 0 DGADMP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000295469854 434376228 /nfs/dbraw/zinc/37/62/28/434376228.db2.gz QSANQCGQLINDMY-UHFFFAOYSA-N 2 1 302.462 3.021 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000417387476 434378199 /nfs/dbraw/zinc/37/81/99/434378199.db2.gz ZENCYWLIKJOAFG-IBGZPJMESA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423367328 434383366 /nfs/dbraw/zinc/38/33/66/434383366.db2.gz RGNSBPQZEAEAOL-ZYHUDNBSSA-N 2 1 302.340 3.220 20 0 DGADMP C[C@H]1NCCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370511 434385381 /nfs/dbraw/zinc/38/53/81/434385381.db2.gz GXGURYFNUDNLLC-SGZDXZSOSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423370511 434385389 /nfs/dbraw/zinc/38/53/89/434385389.db2.gz GXGURYFNUDNLLC-SGZDXZSOSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370511 434385393 /nfs/dbraw/zinc/38/53/93/434385393.db2.gz GXGURYFNUDNLLC-SGZDXZSOSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000423369654 434385413 /nfs/dbraw/zinc/38/54/13/434385413.db2.gz GCBKXTUQVDEJBW-FOGDFJRCSA-N 2 1 315.230 3.379 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1F ZINC000423365622 434387211 /nfs/dbraw/zinc/38/72/11/434387211.db2.gz KPZFUARYYRXRPZ-SUNKGSAMSA-N 2 1 300.805 3.026 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000353745735 434388069 /nfs/dbraw/zinc/38/80/69/434388069.db2.gz JCEMONZHMNKZNB-QFBILLFUSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000353745735 434388080 /nfs/dbraw/zinc/38/80/80/434388080.db2.gz JCEMONZHMNKZNB-QFBILLFUSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000353745735 434388090 /nfs/dbraw/zinc/38/80/90/434388090.db2.gz JCEMONZHMNKZNB-QFBILLFUSA-N 2 1 312.461 3.177 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423284043 434337354 /nfs/dbraw/zinc/33/73/54/434337354.db2.gz YBTRFNPHHVTRNH-ZJUUUORDSA-N 2 1 303.219 3.094 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423286521 434339343 /nfs/dbraw/zinc/33/93/43/434339343.db2.gz HTHPUPOFPPTSOG-INIZCTEOSA-N 2 1 303.837 3.346 20 0 DGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423286134 434339726 /nfs/dbraw/zinc/33/97/26/434339726.db2.gz ZRKZTVPGYFCYEL-CABCVRRESA-N 2 1 309.251 3.153 20 0 DGADMP CC(C)([NH3+])C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423286370 434339935 /nfs/dbraw/zinc/33/99/35/434339935.db2.gz GVUQMLDBRZYMIC-CYBMUJFWSA-N 2 1 302.340 3.363 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423284040 434340479 /nfs/dbraw/zinc/34/04/79/434340479.db2.gz YBTRFNPHHVTRNH-NXEZZACHSA-N 2 1 303.219 3.094 20 0 DGADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423288663 434344174 /nfs/dbraw/zinc/34/41/74/434344174.db2.gz UEFRWKOAFYZEQI-WMZOPIPTSA-N 2 1 303.494 3.004 20 0 DGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289378 434345701 /nfs/dbraw/zinc/34/57/01/434345701.db2.gz XAYOSPQTXBIZAV-SFHVURJKSA-N 2 1 316.420 3.445 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423297977 434348626 /nfs/dbraw/zinc/34/86/26/434348626.db2.gz MPUMTVBDOXABBL-DGCLKSJQSA-N 2 1 316.392 3.465 20 0 DGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851274 434353257 /nfs/dbraw/zinc/35/32/57/434353257.db2.gz OKAORLLUJXAUMB-RDJZCZTQSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423321983 434356863 /nfs/dbraw/zinc/35/68/63/434356863.db2.gz GSHPPDIKCCWPLV-BZNIZROVSA-N 2 1 316.367 3.467 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000423324859 434357784 /nfs/dbraw/zinc/35/77/84/434357784.db2.gz IJIDISMNUGRLFE-KSSFIOAISA-N 2 1 315.461 3.127 20 0 DGADMP Cc1cc(NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000358159154 434358860 /nfs/dbraw/zinc/35/88/60/434358860.db2.gz YURIRGQFUAWHDL-FQEVSTJZSA-N 2 1 309.457 3.307 20 0 DGADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423383497 434396041 /nfs/dbraw/zinc/39/60/41/434396041.db2.gz JLMBISQKYBETAC-MDNKFWRPSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)C1 ZINC000438085510 434397515 /nfs/dbraw/zinc/39/75/15/434397515.db2.gz CGHDNDFYFXNWOP-FXAWDEMLSA-N 2 1 316.489 3.435 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000450762005 434397626 /nfs/dbraw/zinc/39/76/26/434397626.db2.gz SAPJANCXUKMMAM-OAGGEKHMSA-N 2 1 318.452 3.148 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCOC2)CC1)CC1CC1 ZINC000438083270 434399171 /nfs/dbraw/zinc/39/91/71/434399171.db2.gz FETHHOXCBMTGBK-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000353753497 434400865 /nfs/dbraw/zinc/40/08/65/434400865.db2.gz XATUKHUTIXFZTH-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000353753497 434400873 /nfs/dbraw/zinc/40/08/73/434400873.db2.gz XATUKHUTIXFZTH-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000353753497 434400882 /nfs/dbraw/zinc/40/08/82/434400882.db2.gz XATUKHUTIXFZTH-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000353753497 434400889 /nfs/dbraw/zinc/40/08/89/434400889.db2.gz XATUKHUTIXFZTH-DOTOQJQBSA-N 2 1 320.477 3.399 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394412733 434403692 /nfs/dbraw/zinc/40/36/92/434403692.db2.gz ISZSXOQJULZZFV-LPHOPBHVSA-N 2 1 310.441 3.435 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000353753499 434404182 /nfs/dbraw/zinc/40/41/82/434404182.db2.gz XATUKHUTIXFZTH-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000353753499 434404187 /nfs/dbraw/zinc/40/41/87/434404187.db2.gz XATUKHUTIXFZTH-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000353753499 434404193 /nfs/dbraw/zinc/40/41/93/434404193.db2.gz XATUKHUTIXFZTH-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000353753499 434404201 /nfs/dbraw/zinc/40/42/01/434404201.db2.gz XATUKHUTIXFZTH-RDJZCZTQSA-N 2 1 320.477 3.399 20 0 DGADMP Cc1cc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000423399847 434405292 /nfs/dbraw/zinc/40/52/92/434405292.db2.gz VFGDGIYPYYLHSE-SCTDSRPQSA-N 2 1 313.420 3.478 20 0 DGADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423401402 434407402 /nfs/dbraw/zinc/40/74/02/434407402.db2.gz XQCKTTCXINERQD-GHMZBOCLSA-N 2 1 317.246 3.107 20 0 DGADMP CC[N@@H+](CC[C@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438110635 434409756 /nfs/dbraw/zinc/40/97/56/434409756.db2.gz VJOZPNZZDCOUTO-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@H]1CCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438110635 434409768 /nfs/dbraw/zinc/40/97/68/434409768.db2.gz VJOZPNZZDCOUTO-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP CC[NH+](CC[C@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438110635 434409777 /nfs/dbraw/zinc/40/97/77/434409777.db2.gz VJOZPNZZDCOUTO-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1cnccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295551199 434410264 /nfs/dbraw/zinc/41/02/64/434410264.db2.gz YIMVFNSVKZUPGX-YLJYHZDGSA-N 2 1 309.457 3.390 20 0 DGADMP CN(C)c1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000359143624 434414096 /nfs/dbraw/zinc/41/40/96/434414096.db2.gz NGMMTAIEGANEBP-UHFFFAOYSA-N 2 1 324.538 3.343 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000348634785 434419730 /nfs/dbraw/zinc/41/97/30/434419730.db2.gz MJFRSXUBQBIOPF-MOPGFXCFSA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000348634785 434419737 /nfs/dbraw/zinc/41/97/37/434419737.db2.gz MJFRSXUBQBIOPF-MOPGFXCFSA-N 2 1 316.514 3.338 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000348634785 434419745 /nfs/dbraw/zinc/41/97/45/434419745.db2.gz MJFRSXUBQBIOPF-MOPGFXCFSA-N 2 1 316.514 3.338 20 0 DGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCC2 ZINC000423432265 434419945 /nfs/dbraw/zinc/41/99/45/434419945.db2.gz OJFJSDNQDYTPBB-XUWVNRHRSA-N 2 1 321.262 3.024 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCCC ZINC000423436118 434423779 /nfs/dbraw/zinc/42/37/79/434423779.db2.gz PMBRKXVZYGJQCK-HWLIBYHHSA-N 2 1 318.461 3.133 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480709 434430136 /nfs/dbraw/zinc/43/01/36/434430136.db2.gz JUVZZLXJNNOHIK-SFHVURJKSA-N 2 1 315.392 3.008 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000423456187 434433701 /nfs/dbraw/zinc/43/37/01/434433701.db2.gz DJOANZOFUWYJMX-STQMWFEESA-N 2 1 303.219 3.366 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncs1 ZINC000423462690 434434421 /nfs/dbraw/zinc/43/44/21/434434421.db2.gz DTUWCAHMLZHOMI-DUVNUKRYSA-N 2 1 319.449 3.326 20 0 DGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cc(F)cc(F)c1 ZINC000287743868 434439950 /nfs/dbraw/zinc/43/99/50/434439950.db2.gz YXOOMUKKDDCJGK-JKSUJKDBSA-N 2 1 324.415 3.339 20 0 DGADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823615 434458685 /nfs/dbraw/zinc/45/86/85/434458685.db2.gz AQUYPLWJOMQXLD-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000353823615 434458697 /nfs/dbraw/zinc/45/86/97/434458697.db2.gz AQUYPLWJOMQXLD-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000353823615 434458710 /nfs/dbraw/zinc/45/87/10/434458710.db2.gz AQUYPLWJOMQXLD-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000353823615 434458720 /nfs/dbraw/zinc/45/87/20/434458720.db2.gz AQUYPLWJOMQXLD-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500234 434460862 /nfs/dbraw/zinc/46/08/62/434460862.db2.gz KGNWGGRSLMMNID-DYVFJYSZSA-N 2 1 320.477 3.050 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1OC ZINC000423500236 434461605 /nfs/dbraw/zinc/46/16/05/434461605.db2.gz KGNWGGRSLMMNID-GUYCJALGSA-N 2 1 320.477 3.050 20 0 DGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423527391 434475775 /nfs/dbraw/zinc/47/57/75/434475775.db2.gz VSYUECBLBJXIMX-LPHOPBHVSA-N 2 1 320.477 3.141 20 0 DGADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423551718 434486679 /nfs/dbraw/zinc/48/66/79/434486679.db2.gz JJYJCCQMGXGENB-NSHDSACASA-N 2 1 315.280 3.230 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401875952 434498416 /nfs/dbraw/zinc/49/84/16/434498416.db2.gz FCMNCLKKSWGYOV-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359972260 434453392 /nfs/dbraw/zinc/45/33/92/434453392.db2.gz VNBXDEXKQZPHDP-OALUTQOASA-N 2 1 300.446 3.192 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359972260 434453396 /nfs/dbraw/zinc/45/33/96/434453396.db2.gz VNBXDEXKQZPHDP-OALUTQOASA-N 2 1 300.446 3.192 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC000404393127 434515042 /nfs/dbraw/zinc/51/50/42/434515042.db2.gz ZCVJOXSPRYOIFU-CZUORRHYSA-N 2 1 323.868 3.118 20 0 DGADMP Cc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404479819 434516239 /nfs/dbraw/zinc/51/62/39/434516239.db2.gz DRUXBOYUQJWFGS-INIZCTEOSA-N 2 1 301.459 3.063 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404479819 434516259 /nfs/dbraw/zinc/51/62/59/434516259.db2.gz DRUXBOYUQJWFGS-INIZCTEOSA-N 2 1 301.459 3.063 20 0 DGADMP C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC1CCOCC1 ZINC000366855183 434524541 /nfs/dbraw/zinc/52/45/41/434524541.db2.gz WEVAGUOYXZQGLY-LJQANCHMSA-N 2 1 308.510 3.391 20 0 DGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000353935033 434535119 /nfs/dbraw/zinc/53/51/19/434535119.db2.gz UFMMZHORAVQHBT-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000353935129 434535688 /nfs/dbraw/zinc/53/56/88/434535688.db2.gz YPKRQWVLKCEVQC-VQTJNVASSA-N 2 1 316.489 3.230 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000353935129 434535698 /nfs/dbraw/zinc/53/56/98/434535698.db2.gz YPKRQWVLKCEVQC-VQTJNVASSA-N 2 1 316.489 3.230 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2COC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000417945319 434555060 /nfs/dbraw/zinc/55/50/60/434555060.db2.gz DDBFGTIOPZTBTM-QRQLOZEOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000417934738 434555100 /nfs/dbraw/zinc/55/51/00/434555100.db2.gz FYUWZMJNJFEAJO-OGWHTMIXSA-N 2 1 316.489 3.300 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000360235713 434555178 /nfs/dbraw/zinc/55/51/78/434555178.db2.gz XJOXJABAWQXWQS-DNVCBOLYSA-N 2 1 302.462 3.394 20 0 DGADMP O[C@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360244091 434557558 /nfs/dbraw/zinc/55/75/58/434557558.db2.gz ZIJXXAXBWHWQAP-AEFFLSMTSA-N 2 1 322.880 3.154 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000360245111 434559447 /nfs/dbraw/zinc/55/94/47/434559447.db2.gz KPXGLHSPRFMCPP-KGLIPLIRSA-N 2 1 322.415 3.056 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000525697552 295027022 /nfs/dbraw/zinc/02/70/22/295027022.db2.gz ZNBIJCVXUMBGNT-RLLQIKCJSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000525697552 295027024 /nfs/dbraw/zinc/02/70/24/295027024.db2.gz ZNBIJCVXUMBGNT-RLLQIKCJSA-N 2 1 316.489 3.182 20 0 DGADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000526970062 295066374 /nfs/dbraw/zinc/06/63/74/295066374.db2.gz GVKSKRONQMUOSA-KRWDZBQOSA-N 2 1 324.509 3.020 20 0 DGADMP CCc1ccccc1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000527074063 295075388 /nfs/dbraw/zinc/07/53/88/295075388.db2.gz MQJIKYPAMMBJMJ-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CC(C)CCC[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000527116593 295079445 /nfs/dbraw/zinc/07/94/45/295079445.db2.gz IEFUKWYSIYBCEK-MRXNPFEDSA-N 2 1 309.523 3.062 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000527218463 295084536 /nfs/dbraw/zinc/08/45/36/295084536.db2.gz SDQICDIMJWPQNO-UHFFFAOYSA-N 2 1 312.498 3.020 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459368802 434570660 /nfs/dbraw/zinc/57/06/60/434570660.db2.gz DFIUVOLVVTZHEW-RCCFBDPRSA-N 2 1 322.518 3.007 20 0 DGADMP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000527536259 295102121 /nfs/dbraw/zinc/10/21/21/295102121.db2.gz VHFXBLPLBPQAIJ-FQEVSTJZSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000527536259 295102122 /nfs/dbraw/zinc/10/21/22/295102122.db2.gz VHFXBLPLBPQAIJ-FQEVSTJZSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527536259 295102124 /nfs/dbraw/zinc/10/21/24/295102124.db2.gz VHFXBLPLBPQAIJ-FQEVSTJZSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527536259 295102127 /nfs/dbraw/zinc/10/21/27/295102127.db2.gz VHFXBLPLBPQAIJ-FQEVSTJZSA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccn1 ZINC000527539363 295102386 /nfs/dbraw/zinc/10/23/86/295102386.db2.gz NFCUHWSSFLTPFK-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527640801 295108093 /nfs/dbraw/zinc/10/80/93/295108093.db2.gz MAQSUUTVTAQPJR-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP C/C(Cl)=C/C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000528397011 295207814 /nfs/dbraw/zinc/20/78/14/295207814.db2.gz PNAHFTLIUZEPMN-UHGQHVIZSA-N 2 1 314.901 3.340 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401126 295208921 /nfs/dbraw/zinc/20/89/21/295208921.db2.gz VSVRZHRQBXHYDT-HKUYNNGSSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401126 295208923 /nfs/dbraw/zinc/20/89/23/295208923.db2.gz VSVRZHRQBXHYDT-HKUYNNGSSA-N 2 1 322.468 3.047 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528401126 295208925 /nfs/dbraw/zinc/20/89/25/295208925.db2.gz VSVRZHRQBXHYDT-HKUYNNGSSA-N 2 1 322.468 3.047 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2cn[nH]c2)CC1)CC(C)C ZINC000459476574 434588224 /nfs/dbraw/zinc/58/82/24/434588224.db2.gz RMYOOPLORLYTDJ-UHFFFAOYSA-N 2 1 306.498 3.032 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1(C(=O)OC)CCC1 ZINC000354030046 434588868 /nfs/dbraw/zinc/58/88/68/434588868.db2.gz RICCMLHKBDCNCR-SJORKVTESA-N 2 1 324.509 3.066 20 0 DGADMP C[N@@H+](CCc1cccc(NC2CC[NH+](C3CC3)CC2)c1)C1CC1 ZINC000459455481 434586276 /nfs/dbraw/zinc/58/62/76/434586276.db2.gz DCGPYIQNNDZDDN-UHFFFAOYSA-N 2 1 313.489 3.362 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OCC)n1 ZINC000349135855 434616029 /nfs/dbraw/zinc/61/60/29/434616029.db2.gz ZCTSPAGCZFIPJR-UHFFFAOYSA-N 2 1 316.449 3.151 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OCC)n1 ZINC000349135855 434616035 /nfs/dbraw/zinc/61/60/35/434616035.db2.gz ZCTSPAGCZFIPJR-UHFFFAOYSA-N 2 1 316.449 3.151 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000354088545 434611078 /nfs/dbraw/zinc/61/10/78/434611078.db2.gz RGDOXGYDKPJUAF-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000424179495 434647212 /nfs/dbraw/zinc/64/72/12/434647212.db2.gz TXVRDLYIFAKHSR-CVEARBPZSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000424179495 434647219 /nfs/dbraw/zinc/64/72/19/434647219.db2.gz TXVRDLYIFAKHSR-CVEARBPZSA-N 2 1 304.482 3.207 20 0 DGADMP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439828693 434651246 /nfs/dbraw/zinc/65/12/46/434651246.db2.gz PQFOTHDWJVKIPW-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167541 434654275 /nfs/dbraw/zinc/65/42/75/434654275.db2.gz RHIIZPHMLYZFPI-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167541 434654280 /nfs/dbraw/zinc/65/42/80/434654280.db2.gz RHIIZPHMLYZFPI-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167541 434654288 /nfs/dbraw/zinc/65/42/88/434654288.db2.gz RHIIZPHMLYZFPI-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000354167541 434654296 /nfs/dbraw/zinc/65/42/96/434654296.db2.gz RHIIZPHMLYZFPI-FQEVSTJZSA-N 2 1 314.473 3.318 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000354181383 434659710 /nfs/dbraw/zinc/65/97/10/434659710.db2.gz LYPLNNZLBWJOBT-JZXOWHBKSA-N 2 1 303.494 3.279 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000354181383 434659719 /nfs/dbraw/zinc/65/97/19/434659719.db2.gz LYPLNNZLBWJOBT-JZXOWHBKSA-N 2 1 303.494 3.279 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371301093 434665343 /nfs/dbraw/zinc/66/53/43/434665343.db2.gz DEJSGRLYPUIQSO-SXLOBPIMSA-N 2 1 315.505 3.096 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459722900 434675617 /nfs/dbraw/zinc/67/56/17/434675617.db2.gz CFTZVDPHLLIIKB-INIZCTEOSA-N 2 1 312.461 3.207 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OC(F)F)cc1)CC[NH2+]CC2 ZINC000424285590 434677152 /nfs/dbraw/zinc/67/71/52/434677152.db2.gz FZHFYALBXSYMHN-ZDUSSCGKSA-N 2 1 310.388 3.252 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ncccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424285031 434678121 /nfs/dbraw/zinc/67/81/21/434678121.db2.gz DXAFZCRUMMBANK-LBPRGKRZSA-N 2 1 313.367 3.064 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(c1)ncn2C ZINC000349341688 434678861 /nfs/dbraw/zinc/67/88/61/434678861.db2.gz CDZGPCDEPNJXDJ-UHFFFAOYSA-N 2 1 302.466 3.127 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(c1)ncn2C ZINC000349341688 434678873 /nfs/dbraw/zinc/67/88/73/434678873.db2.gz CDZGPCDEPNJXDJ-UHFFFAOYSA-N 2 1 302.466 3.127 20 0 DGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000459727866 434680777 /nfs/dbraw/zinc/68/07/77/434680777.db2.gz HPKQKNYLLGXKHQ-AWEZNQCLSA-N 2 1 308.491 3.239 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000459732782 434683957 /nfs/dbraw/zinc/68/39/57/434683957.db2.gz MWYOGPXRBABODL-MRXNPFEDSA-N 2 1 319.468 3.247 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000459734074 434684618 /nfs/dbraw/zinc/68/46/18/434684618.db2.gz GSEKAWXMQAIHSJ-CRAIPNDOSA-N 2 1 304.503 3.339 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1O ZINC000360745519 434685320 /nfs/dbraw/zinc/68/53/20/434685320.db2.gz BVXRYPGQEVXGGH-KGLIPLIRSA-N 2 1 324.852 3.161 20 0 DGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Cl)c1O ZINC000360745519 434685327 /nfs/dbraw/zinc/68/53/27/434685327.db2.gz BVXRYPGQEVXGGH-KGLIPLIRSA-N 2 1 324.852 3.161 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCSCc1ccccc1 ZINC000349353644 434685946 /nfs/dbraw/zinc/68/59/46/434685946.db2.gz SARUIOBTSSALNB-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCSCc1ccccc1 ZINC000349353644 434685953 /nfs/dbraw/zinc/68/59/53/434685953.db2.gz SARUIOBTSSALNB-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Br)c2)C1 ZINC000459745874 434691037 /nfs/dbraw/zinc/69/10/37/434691037.db2.gz YPJVNLJIOPMBML-CYBMUJFWSA-N 2 1 311.267 3.271 20 0 DGADMP CC[C@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000419236323 434753412 /nfs/dbraw/zinc/75/34/12/434753412.db2.gz DWOALLKGFGSXKP-JFRXWTBNSA-N 2 1 304.478 3.158 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000424334268 434700503 /nfs/dbraw/zinc/70/05/03/434700503.db2.gz NPTHBDZRRFHCON-RTBURBONSA-N 2 1 323.440 3.298 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000349404598 434706160 /nfs/dbraw/zinc/70/61/60/434706160.db2.gz FNALEDKVZAJUMX-UHFFFAOYSA-N 2 1 309.417 3.104 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000349404598 434706165 /nfs/dbraw/zinc/70/61/65/434706165.db2.gz FNALEDKVZAJUMX-UHFFFAOYSA-N 2 1 309.417 3.104 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000371465340 434710419 /nfs/dbraw/zinc/71/04/19/434710419.db2.gz CCTSSAIWQCRONT-HSALFYBXSA-N 2 1 316.489 3.295 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1CCCc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424376229 434713051 /nfs/dbraw/zinc/71/30/51/434713051.db2.gz KPVQNRJMTWAEJI-MRXNPFEDSA-N 2 1 314.473 3.018 20 0 DGADMP C[C@H]1CC2(C[N@H+]1C/C=C\c1ccc(F)cc1F)CC[NH2+]CC2 ZINC000424374315 434714947 /nfs/dbraw/zinc/71/49/47/434714947.db2.gz IEPHGHVXJQWRRN-SFAKSCPVSA-N 2 1 306.400 3.442 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3ccc(F)cc3s1)CC[NH2+]CC2 ZINC000424388045 434717464 /nfs/dbraw/zinc/71/74/64/434717464.db2.gz ZAVHGAFGQZQGON-LBPRGKRZSA-N 2 1 319.449 3.399 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)O1 ZINC000411126275 434728494 /nfs/dbraw/zinc/72/84/94/434728494.db2.gz MWFRGZBWWWKJCP-CALCHBBNSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)O1 ZINC000411126275 434728497 /nfs/dbraw/zinc/72/84/97/434728497.db2.gz MWFRGZBWWWKJCP-CALCHBBNSA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000354350328 434731628 /nfs/dbraw/zinc/73/16/28/434731628.db2.gz CAJIPWATENUGKY-WOJBJXKFSA-N 2 1 318.505 3.253 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)CO1 ZINC000411147985 434733555 /nfs/dbraw/zinc/73/35/55/434733555.db2.gz QSXBMTKECFEIDF-IAGOWNOFSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411160378 434733810 /nfs/dbraw/zinc/73/38/10/434733810.db2.gz BZLIZUNUVOTZIT-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411160378 434733814 /nfs/dbraw/zinc/73/38/14/434733814.db2.gz BZLIZUNUVOTZIT-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933408 434737683 /nfs/dbraw/zinc/73/76/83/434737683.db2.gz OIGJCNYTSQAOKT-YJBOKZPZSA-N 2 1 311.429 3.304 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000360933408 434737687 /nfs/dbraw/zinc/73/76/87/434737687.db2.gz OIGJCNYTSQAOKT-YJBOKZPZSA-N 2 1 311.429 3.304 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000411193691 434741485 /nfs/dbraw/zinc/74/14/85/434741485.db2.gz STJUHJJLKXQQSO-UXHICEINSA-N 2 1 314.473 3.426 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000411193691 434741493 /nfs/dbraw/zinc/74/14/93/434741493.db2.gz STJUHJJLKXQQSO-UXHICEINSA-N 2 1 314.473 3.426 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371848074 434759210 /nfs/dbraw/zinc/75/92/10/434759210.db2.gz XSGLSPPEGRLQJD-OALUTQOASA-N 2 1 309.542 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000411307879 434760745 /nfs/dbraw/zinc/76/07/45/434760745.db2.gz IJHBPMXFARUQHG-MJGOQNOKSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000411307879 434760750 /nfs/dbraw/zinc/76/07/50/434760750.db2.gz IJHBPMXFARUQHG-MJGOQNOKSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307879 434760753 /nfs/dbraw/zinc/76/07/53/434760753.db2.gz IJHBPMXFARUQHG-MJGOQNOKSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1Cc1ccccc1 ZINC000411307879 434760759 /nfs/dbraw/zinc/76/07/59/434760759.db2.gz IJHBPMXFARUQHG-MJGOQNOKSA-N 2 1 316.489 3.276 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000442918651 434772660 /nfs/dbraw/zinc/77/26/60/434772660.db2.gz HRHFJHWDQGZUPS-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[C@H]1O ZINC000411409984 434775551 /nfs/dbraw/zinc/77/55/51/434775551.db2.gz VCYXETASGBDBIL-VQTJNVASSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411423411 434777772 /nfs/dbraw/zinc/77/77/72/434777772.db2.gz KHWHJKXQOQINTO-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000453101543 434801803 /nfs/dbraw/zinc/80/18/03/434801803.db2.gz OCXRYZLDPRQIOB-FUHWJXTLSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000453101543 434801807 /nfs/dbraw/zinc/80/18/07/434801807.db2.gz OCXRYZLDPRQIOB-FUHWJXTLSA-N 2 1 301.478 3.399 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000453070079 434791658 /nfs/dbraw/zinc/79/16/58/434791658.db2.gz ZVCUDPSEACTXNH-ROUUACIJSA-N 2 1 306.498 3.152 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccsc1 ZINC000453115221 434805697 /nfs/dbraw/zinc/80/56/97/434805697.db2.gz WSZFLXNUOIIBQF-KRWDZBQOSA-N 2 1 309.523 3.062 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453125656 434809404 /nfs/dbraw/zinc/80/94/04/434809404.db2.gz JPQRVZHYSSBATP-MDNKFWRPSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411656513 434813788 /nfs/dbraw/zinc/81/37/88/434813788.db2.gz BQHXXEWWZGYQCF-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP C([NH2+][C@H](C1CC1)C1CCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000453155143 434816850 /nfs/dbraw/zinc/81/68/50/434816850.db2.gz YOCWJLWGNZHGDG-SFHVURJKSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411803987 434830919 /nfs/dbraw/zinc/83/09/19/434830919.db2.gz PBIRSCYKGFJBGD-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453222576 434832378 /nfs/dbraw/zinc/83/23/78/434832378.db2.gz QONSIFNNRJDVHQ-MTFMMBMASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453222575 434832866 /nfs/dbraw/zinc/83/28/66/434832866.db2.gz QONSIFNNRJDVHQ-IJXRJRJASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H](CCO)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453236425 434836540 /nfs/dbraw/zinc/83/65/40/434836540.db2.gz OBCJWPCZHSLCBC-KKXNLOMOSA-N 2 1 318.505 3.428 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453233570 434836864 /nfs/dbraw/zinc/83/68/64/434836864.db2.gz WMWBWEZXEOTRBJ-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411986581 434851527 /nfs/dbraw/zinc/85/15/27/434851527.db2.gz RPABKVFMYVJMGO-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411986581 434851528 /nfs/dbraw/zinc/85/15/28/434851528.db2.gz RPABKVFMYVJMGO-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411986581 434851531 /nfs/dbraw/zinc/85/15/31/434851531.db2.gz RPABKVFMYVJMGO-AZUAARDMSA-N 2 1 315.505 3.067 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000521455621 434886081 /nfs/dbraw/zinc/88/60/81/434886081.db2.gz MRORGWINOHETOX-UHFFFAOYSA-N 2 1 307.825 3.147 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000521455621 434886085 /nfs/dbraw/zinc/88/60/85/434886085.db2.gz MRORGWINOHETOX-UHFFFAOYSA-N 2 1 307.825 3.147 20 0 DGADMP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462123343 434900626 /nfs/dbraw/zinc/90/06/26/434900626.db2.gz PUBOEOHFMSKVFD-HKUYNNGSSA-N 2 1 318.505 3.080 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000573648881 434914065 /nfs/dbraw/zinc/91/40/65/434914065.db2.gz XRROMBKPCFRXDM-LNLFQRSKSA-N 2 1 309.542 3.348 20 0 DGADMP CCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998364 434942787 /nfs/dbraw/zinc/94/27/87/434942787.db2.gz RKMAWRIVEMXVSG-HOCLYGCPSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@H](O)C[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998364 434942791 /nfs/dbraw/zinc/94/27/91/434942791.db2.gz RKMAWRIVEMXVSG-HOCLYGCPSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998364 434942797 /nfs/dbraw/zinc/94/27/97/434942797.db2.gz RKMAWRIVEMXVSG-HOCLYGCPSA-N 2 1 304.434 3.128 20 0 DGADMP CO[C@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000638067775 434944084 /nfs/dbraw/zinc/94/40/84/434944084.db2.gz UUJYNWNBSUKKQM-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@](C)(C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067775 434944089 /nfs/dbraw/zinc/94/40/89/434944089.db2.gz UUJYNWNBSUKKQM-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CO[C@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638067775 434944093 /nfs/dbraw/zinc/94/40/93/434944093.db2.gz UUJYNWNBSUKKQM-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)CC1CC1 ZINC000554737744 434944125 /nfs/dbraw/zinc/94/41/25/434944125.db2.gz QZIPGWOILSMHNV-GOSISDBHSA-N 2 1 310.526 3.227 20 0 DGADMP c1cnc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2n1 ZINC000638181805 434973010 /nfs/dbraw/zinc/97/30/10/434973010.db2.gz ODERSGRAPLOLEM-UZLBHIALSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2n1 ZINC000638181805 434973012 /nfs/dbraw/zinc/97/30/12/434973012.db2.gz ODERSGRAPLOLEM-UZLBHIALSA-N 2 1 322.456 3.079 20 0 DGADMP c1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2n1 ZINC000638181805 434973015 /nfs/dbraw/zinc/97/30/15/434973015.db2.gz ODERSGRAPLOLEM-UZLBHIALSA-N 2 1 322.456 3.079 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000556675695 435017088 /nfs/dbraw/zinc/01/70/88/435017088.db2.gz HMXRIPLCKVPBCQ-OAHLLOKOSA-N 2 1 313.445 3.063 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000556675695 435017092 /nfs/dbraw/zinc/01/70/92/435017092.db2.gz HMXRIPLCKVPBCQ-OAHLLOKOSA-N 2 1 313.445 3.063 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000638390686 435020652 /nfs/dbraw/zinc/02/06/52/435020652.db2.gz MNDWBLIGXULJDL-OAHLLOKOSA-N 2 1 312.461 3.150 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000556769226 435023075 /nfs/dbraw/zinc/02/30/75/435023075.db2.gz JZXIECQXZRAUMO-MRXNPFEDSA-N 2 1 312.461 3.205 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638410272 435024979 /nfs/dbraw/zinc/02/49/79/435024979.db2.gz YYLPOSNOWUMZAL-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638410272 435024985 /nfs/dbraw/zinc/02/49/85/435024985.db2.gz YYLPOSNOWUMZAL-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnccn2)CC1)CC(C)C ZINC000556787652 435025344 /nfs/dbraw/zinc/02/53/44/435025344.db2.gz BNHFLWRSMOWNGW-UHFFFAOYSA-N 2 1 304.482 3.057 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638449759 435033934 /nfs/dbraw/zinc/03/39/34/435033934.db2.gz FTMRAYAADDOMGH-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000638449759 435033937 /nfs/dbraw/zinc/03/39/37/435033937.db2.gz FTMRAYAADDOMGH-NSHDSACASA-N 2 1 316.276 3.397 20 0 DGADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000556051350 434992228 /nfs/dbraw/zinc/99/22/28/434992228.db2.gz WYXAPADFGVYRJZ-XUVXKRRUSA-N 2 1 317.521 3.388 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000556051492 434992559 /nfs/dbraw/zinc/99/25/59/434992559.db2.gz ZLNCUBXQONFJQX-QUCCMNQESA-N 2 1 310.441 3.491 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000556051492 434992564 /nfs/dbraw/zinc/99/25/64/434992564.db2.gz ZLNCUBXQONFJQX-QUCCMNQESA-N 2 1 310.441 3.491 20 0 DGADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556062615 434994607 /nfs/dbraw/zinc/99/46/07/434994607.db2.gz VMPNOBFGGXQGLS-RTBURBONSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556062615 434994610 /nfs/dbraw/zinc/99/46/10/434994610.db2.gz VMPNOBFGGXQGLS-RTBURBONSA-N 2 1 304.478 3.474 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638447220 435032887 /nfs/dbraw/zinc/03/28/87/435032887.db2.gz HREDNYWJGNPRFY-HZPDHXFCSA-N 2 1 310.507 3.365 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638447220 435032889 /nfs/dbraw/zinc/03/28/89/435032889.db2.gz HREDNYWJGNPRFY-HZPDHXFCSA-N 2 1 310.507 3.365 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000638610707 435059983 /nfs/dbraw/zinc/05/99/83/435059983.db2.gz DSHCPBVIJKLPBN-HNAYVOBHSA-N 2 1 302.462 3.227 20 0 DGADMP Cc1c2ccccc2oc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638627374 435061380 /nfs/dbraw/zinc/06/13/80/435061380.db2.gz JMFUANKVOANYFK-UHFFFAOYSA-N 2 1 316.445 3.066 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]CC3(C(C)C)CC3)CCCC2)CC1 ZINC000638637540 435063239 /nfs/dbraw/zinc/06/32/39/435063239.db2.gz SFEZOKZGFSGTGO-UHFFFAOYSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638666242 435065939 /nfs/dbraw/zinc/06/59/39/435065939.db2.gz KUVZEEDFNCLANR-AOIWGVFYSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638666242 435065941 /nfs/dbraw/zinc/06/59/41/435065941.db2.gz KUVZEEDFNCLANR-AOIWGVFYSA-N 2 1 302.462 3.105 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000638670072 435066667 /nfs/dbraw/zinc/06/66/67/435066667.db2.gz CEHNPXWZJYNZEB-ZMSDIMECSA-N 2 1 308.491 3.146 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000638670072 435066672 /nfs/dbraw/zinc/06/66/72/435066672.db2.gz CEHNPXWZJYNZEB-ZMSDIMECSA-N 2 1 308.491 3.146 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCSC3)CC[N@H+]2C2CC2)cc1 ZINC000638714562 435073725 /nfs/dbraw/zinc/07/37/25/435073725.db2.gz HCZYIHUWNQBLNC-BQFCYCMXSA-N 2 1 302.487 3.450 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCSC3)CC[N@@H+]2C2CC2)cc1 ZINC000638714562 435073729 /nfs/dbraw/zinc/07/37/29/435073729.db2.gz HCZYIHUWNQBLNC-BQFCYCMXSA-N 2 1 302.487 3.450 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000638738125 435081645 /nfs/dbraw/zinc/08/16/45/435081645.db2.gz LREBEWNTCWSPCB-KVPLUYHFSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000557395447 435050807 /nfs/dbraw/zinc/05/08/07/435050807.db2.gz YHGUIJRCNPQJIF-OUUBHVDSSA-N 2 1 314.473 3.227 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000638604329 435056940 /nfs/dbraw/zinc/05/69/40/435056940.db2.gz IXLVYNMOQWVJTE-GOSISDBHSA-N 2 1 314.477 3.394 20 0 DGADMP Cc1nc2ccccc2nc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000638604330 435057289 /nfs/dbraw/zinc/05/72/89/435057289.db2.gz IXLVYNMOQWVJTE-SFHVURJKSA-N 2 1 314.477 3.394 20 0 DGADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000474472428 435149441 /nfs/dbraw/zinc/14/94/41/435149441.db2.gz OGVVFIGBMSRHBX-UYAOXDASSA-N 2 1 316.489 3.446 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474473121 435149633 /nfs/dbraw/zinc/14/96/33/435149633.db2.gz DZPYWRGEFMWIGE-GJZGRUSLSA-N 2 1 312.885 3.390 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708644 435112694 /nfs/dbraw/zinc/11/26/94/435112694.db2.gz ASHVCZUJGYLAAZ-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708644 435112698 /nfs/dbraw/zinc/11/26/98/435112698.db2.gz ASHVCZUJGYLAAZ-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000531722032 435112938 /nfs/dbraw/zinc/11/29/38/435112938.db2.gz YGPGLAPFIMIFDK-HKUYNNGSSA-N 3 1 309.542 3.349 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531716097 435113747 /nfs/dbraw/zinc/11/37/47/435113747.db2.gz FMLJVIGBACQONB-KSSFIOAISA-N 2 1 322.880 3.010 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000531939986 435129722 /nfs/dbraw/zinc/12/97/22/435129722.db2.gz JJUQBBAXJBZDEE-UXHICEINSA-N 2 1 317.521 3.389 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000579108223 435132420 /nfs/dbraw/zinc/13/24/20/435132420.db2.gz IEKYCDKYTZFDIT-BRWVUGGUSA-N 2 1 309.885 3.192 20 0 DGADMP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000559919609 435143266 /nfs/dbraw/zinc/14/32/66/435143266.db2.gz OHHCSFRNBCVUFQ-LTFXXXRZSA-N 2 1 302.437 3.377 20 0 DGADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000559919621 435143361 /nfs/dbraw/zinc/14/33/61/435143361.db2.gz OHHCSFRNBCVUFQ-VHPHOLNESA-N 2 1 302.437 3.377 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474041749 435143650 /nfs/dbraw/zinc/14/36/50/435143650.db2.gz WKIVRKZKSUMDDX-LBTNJELSSA-N 2 1 302.462 3.490 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474041749 435143653 /nfs/dbraw/zinc/14/36/53/435143653.db2.gz WKIVRKZKSUMDDX-LBTNJELSSA-N 2 1 302.462 3.490 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000532193791 435145200 /nfs/dbraw/zinc/14/52/00/435145200.db2.gz AMCALJDKFJBCKM-SWLSCSKDSA-N 2 1 316.367 3.058 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475271368 435185193 /nfs/dbraw/zinc/18/51/93/435185193.db2.gz WNGCWSITMLUDKE-SLFFLAALSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CCCC[NH3+])c2C1 ZINC000579842439 435186605 /nfs/dbraw/zinc/18/66/05/435186605.db2.gz KHPIKPJAYOMNCU-UHFFFAOYSA-N 2 1 303.450 3.116 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3=CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639182679 435189528 /nfs/dbraw/zinc/18/95/28/435189528.db2.gz MEZGMFJKJXSHPF-ICSRJNTNSA-N 2 1 312.457 3.291 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3=CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639182679 435189531 /nfs/dbraw/zinc/18/95/31/435189531.db2.gz MEZGMFJKJXSHPF-ICSRJNTNSA-N 2 1 312.457 3.291 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493889828 435191744 /nfs/dbraw/zinc/19/17/44/435191744.db2.gz YTPNHNHPBKGBBP-HKUYNNGSSA-N 2 1 316.489 3.482 20 0 DGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)CC(C)C ZINC000493916683 435192441 /nfs/dbraw/zinc/19/24/41/435192441.db2.gz MCXYBBOTIWQQMR-BRSBDYLESA-N 2 1 308.510 3.290 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000639195290 435192978 /nfs/dbraw/zinc/19/29/78/435192978.db2.gz SJRTXMVNQGUYPJ-QXAKKESOSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000639195290 435192981 /nfs/dbraw/zinc/19/29/81/435192981.db2.gz SJRTXMVNQGUYPJ-QXAKKESOSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639220529 435202220 /nfs/dbraw/zinc/20/22/20/435202220.db2.gz DLMXCVNJWNCZJO-YVWKXTFCSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639220529 435202224 /nfs/dbraw/zinc/20/22/24/435202224.db2.gz DLMXCVNJWNCZJO-YVWKXTFCSA-N 2 1 316.489 3.353 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000474715121 435157460 /nfs/dbraw/zinc/15/74/60/435157460.db2.gz PZKWVIHYRXOUDF-WNRNVDISSA-N 2 1 324.509 3.208 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000474715121 435157461 /nfs/dbraw/zinc/15/74/61/435157461.db2.gz PZKWVIHYRXOUDF-WNRNVDISSA-N 2 1 324.509 3.208 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000474725925 435158561 /nfs/dbraw/zinc/15/85/61/435158561.db2.gz ZMAKQCZIUVDLKN-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CCCO1 ZINC000639116289 435160722 /nfs/dbraw/zinc/16/07/22/435160722.db2.gz DSWDYEIRWCNFJB-MISYRCLQSA-N 2 1 316.489 3.271 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C(C)(C)O1 ZINC000532453437 435165634 /nfs/dbraw/zinc/16/56/34/435165634.db2.gz VOARRLHEZQJVND-GOSISDBHSA-N 2 1 316.489 3.371 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C(C)(C)O1 ZINC000532453437 435165638 /nfs/dbraw/zinc/16/56/38/435165638.db2.gz VOARRLHEZQJVND-GOSISDBHSA-N 2 1 316.489 3.371 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000532479735 435170267 /nfs/dbraw/zinc/17/02/67/435170267.db2.gz OCHWVFHBNRHBRD-CRAIPNDOSA-N 2 1 304.478 3.091 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000560583011 435181526 /nfs/dbraw/zinc/18/15/26/435181526.db2.gz NLMNGZUGWQBLQU-IHPCNDPISA-N 2 1 321.553 3.494 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCCC[NH+](C)C)c2C1 ZINC000560602176 435182179 /nfs/dbraw/zinc/18/21/79/435182179.db2.gz YUGQWBZMUZCTPR-UHFFFAOYSA-N 2 1 303.450 3.083 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CCCC[NH+](C)C)c2C1 ZINC000560602176 435182184 /nfs/dbraw/zinc/18/21/84/435182184.db2.gz YUGQWBZMUZCTPR-UHFFFAOYSA-N 2 1 303.450 3.083 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2O)C[C@@H]1c1ccccc1 ZINC000561273101 435210436 /nfs/dbraw/zinc/21/04/36/435210436.db2.gz WKOVNIBWDTWMMG-RBUKOAKNSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)C[C@@H]1c1ccccc1 ZINC000561273101 435210437 /nfs/dbraw/zinc/21/04/37/435210437.db2.gz WKOVNIBWDTWMMG-RBUKOAKNSA-N 2 1 310.441 3.360 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000533375681 435230333 /nfs/dbraw/zinc/23/03/33/435230333.db2.gz WORCWBGAPDQRFS-RDGPPVDQSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000533375681 435230340 /nfs/dbraw/zinc/23/03/40/435230340.db2.gz WORCWBGAPDQRFS-RDGPPVDQSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000533375681 435230344 /nfs/dbraw/zinc/23/03/44/435230344.db2.gz WORCWBGAPDQRFS-RDGPPVDQSA-N 2 1 307.526 3.198 20 0 DGADMP C[N@H+]1CC[C@@H](CS[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000580430349 435233032 /nfs/dbraw/zinc/23/30/32/435233032.db2.gz BTLHKITZYLXATE-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H](CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000580430349 435233037 /nfs/dbraw/zinc/23/30/37/435233037.db2.gz BTLHKITZYLXATE-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H](CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580430349 435233043 /nfs/dbraw/zinc/23/30/43/435233043.db2.gz BTLHKITZYLXATE-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP CC(C)(C)[C@@]1(C[NH2+]C/C=C\CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000639307550 435238303 /nfs/dbraw/zinc/23/83/03/435238303.db2.gz BCFXVIRLZYZOSH-WHXUGTBJSA-N 2 1 316.489 3.063 20 0 DGADMP O=c1[nH]cccc1CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354854 435260371 /nfs/dbraw/zinc/26/03/71/435260371.db2.gz QSAGCCAVXLKJFN-MJGOQNOKSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354854 435260376 /nfs/dbraw/zinc/26/03/76/435260376.db2.gz QSAGCCAVXLKJFN-MJGOQNOKSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354854 435260382 /nfs/dbraw/zinc/26/03/82/435260382.db2.gz QSAGCCAVXLKJFN-MJGOQNOKSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354854 435260386 /nfs/dbraw/zinc/26/03/86/435260386.db2.gz QSAGCCAVXLKJFN-MJGOQNOKSA-N 2 1 323.440 3.245 20 0 DGADMP CN(C)c1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374647 435271844 /nfs/dbraw/zinc/27/18/44/435271844.db2.gz HZJVHBRYCWMNFS-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384086 435281733 /nfs/dbraw/zinc/28/17/33/435281733.db2.gz JGWXFWDOGPDZPB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384086 435281737 /nfs/dbraw/zinc/28/17/37/435281737.db2.gz JGWXFWDOGPDZPB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384086 435281740 /nfs/dbraw/zinc/28/17/40/435281740.db2.gz JGWXFWDOGPDZPB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384086 435281745 /nfs/dbraw/zinc/28/17/45/435281745.db2.gz JGWXFWDOGPDZPB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000648384086 435281750 /nfs/dbraw/zinc/28/17/50/435281750.db2.gz JGWXFWDOGPDZPB-WBMJQRKESA-N 2 1 319.836 3.397 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(CCOc2cccc(CC)c2)C1 ZINC000478045266 435289659 /nfs/dbraw/zinc/28/96/59/435289659.db2.gz IOWODWVHEMFYNU-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(CC)c2)C1 ZINC000478045266 435289665 /nfs/dbraw/zinc/28/96/65/435289665.db2.gz IOWODWVHEMFYNU-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(CC)c2)C1 ZINC000478045266 435289670 /nfs/dbraw/zinc/28/96/70/435289670.db2.gz IOWODWVHEMFYNU-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(CC)c2)C1 ZINC000478045266 435289676 /nfs/dbraw/zinc/28/96/76/435289676.db2.gz IOWODWVHEMFYNU-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(CC)c2)C1 ZINC000478045266 435289681 /nfs/dbraw/zinc/28/96/81/435289681.db2.gz IOWODWVHEMFYNU-GOSISDBHSA-N 2 1 304.478 3.292 20 0 DGADMP CCOC1CC(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000639359444 435262429 /nfs/dbraw/zinc/26/24/29/435262429.db2.gz NGUFISLCHHIUBZ-OXHPOLQJSA-N 2 1 316.489 3.159 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359984 435263181 /nfs/dbraw/zinc/26/31/81/435263181.db2.gz RYHKYSAPYDWZJY-ILZDJORESA-N 2 1 316.489 3.159 20 0 DGADMP COc1ccc(-c2nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cs2)cc1 ZINC000643458850 435329067 /nfs/dbraw/zinc/32/90/67/435329067.db2.gz DTHKNGXYMOTDLI-NWDGAFQWSA-N 2 1 305.447 3.034 20 0 DGADMP CC[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457565 435329649 /nfs/dbraw/zinc/32/96/49/435329649.db2.gz MIRFCIURLKIXKB-ZCNNSNEGSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643464310 435330208 /nfs/dbraw/zinc/33/02/08/435330208.db2.gz AVHMRMPCVDXMJU-QXAKKESOSA-N 3 1 307.526 3.009 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000643463361 435330270 /nfs/dbraw/zinc/33/02/70/435330270.db2.gz MRDNNFSJVZOZHV-MSOLQXFVSA-N 2 1 316.493 3.212 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000643471836 435332223 /nfs/dbraw/zinc/33/22/23/435332223.db2.gz GZEHPNNIWGBWNC-IAGOWNOFSA-N 2 1 303.450 3.153 20 0 DGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643472523 435333042 /nfs/dbraw/zinc/33/30/42/435333042.db2.gz LZLYSQZGNAZCEY-CGTJXYLNSA-N 2 1 317.477 3.107 20 0 DGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000479447555 435333499 /nfs/dbraw/zinc/33/34/99/435333499.db2.gz QECFMUJCMKLFKU-ICSRJNTNSA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1F ZINC000643506928 435338491 /nfs/dbraw/zinc/33/84/91/435338491.db2.gz MUZCLIUBMDDUAC-NVXWUHKLSA-N 2 1 306.425 3.202 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000643522071 435340237 /nfs/dbraw/zinc/34/02/37/435340237.db2.gz HILQCKWMSIDAEY-AAEUAGOBSA-N 2 1 306.841 3.019 20 0 DGADMP CC(C)C1CCC(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000512050529 435342082 /nfs/dbraw/zinc/34/20/82/435342082.db2.gz CMVVOHFDKAHOLE-UHFFFAOYSA-N 2 1 323.569 3.312 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000643521411 435342527 /nfs/dbraw/zinc/34/25/27/435342527.db2.gz FJTXASLGNLWYHA-VXGBXAGGSA-N 2 1 312.841 3.150 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1)CC(C)C ZINC000639559443 435343219 /nfs/dbraw/zinc/34/32/19/435343219.db2.gz PTGCIGOZLBFYMI-IEBWSBKVSA-N 2 1 310.526 3.491 20 0 DGADMP Cc1ccc(C)c([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000479699760 435347809 /nfs/dbraw/zinc/34/78/09/435347809.db2.gz LIAWYVXCQKIDCV-PXNSSMCTSA-N 2 1 316.489 3.455 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546772 435349191 /nfs/dbraw/zinc/34/91/91/435349191.db2.gz UPDKWBCCBZTUSO-WBVHZDCISA-N 2 1 300.446 3.473 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)s1 ZINC000643544775 435349582 /nfs/dbraw/zinc/34/95/82/435349582.db2.gz RDJRANDPVNODAW-LWLWMYBASA-N 2 1 305.491 3.256 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639473431 435311359 /nfs/dbraw/zinc/31/13/59/435311359.db2.gz IQEAIUTTYKYFCY-UHFFFAOYSA-N 2 1 316.489 3.312 20 0 DGADMP Clc1ccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000567412396 435314183 /nfs/dbraw/zinc/31/41/83/435314183.db2.gz BXAPBDRRAREQRK-KRWDZBQOSA-N 2 1 308.853 3.279 20 0 DGADMP Clc1ccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000567412396 435314187 /nfs/dbraw/zinc/31/41/87/435314187.db2.gz BXAPBDRRAREQRK-KRWDZBQOSA-N 2 1 308.853 3.279 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000481019776 435407764 /nfs/dbraw/zinc/40/77/64/435407764.db2.gz GKRGMHMGTZTQJD-IUODEOHRSA-N 2 1 300.368 3.178 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)CC1 ZINC000639759572 435409303 /nfs/dbraw/zinc/40/93/03/435409303.db2.gz BSORRWIRZWOBBH-UHFFFAOYSA-N 2 1 317.458 3.321 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCO[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000536836231 435414332 /nfs/dbraw/zinc/41/43/32/435414332.db2.gz VTXXZPDOYFYXCN-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000481248569 435417184 /nfs/dbraw/zinc/41/71/84/435417184.db2.gz YCAJEWQVPMUKRE-IAQYHMDHSA-N 2 1 301.261 3.466 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000536998287 435421879 /nfs/dbraw/zinc/42/18/79/435421879.db2.gz NCYNIQIPKWGBOA-GUYCJALGSA-N 2 1 317.433 3.162 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000536066329 435369008 /nfs/dbraw/zinc/36/90/08/435369008.db2.gz CQNRLYUBVQLBMO-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000536066329 435369015 /nfs/dbraw/zinc/36/90/15/435369015.db2.gz CQNRLYUBVQLBMO-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000513204507 435381714 /nfs/dbraw/zinc/38/17/14/435381714.db2.gz SFGFJXPTTHWSIE-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513204507 435381720 /nfs/dbraw/zinc/38/17/20/435381720.db2.gz SFGFJXPTTHWSIE-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513204507 435381724 /nfs/dbraw/zinc/38/17/24/435381724.db2.gz SFGFJXPTTHWSIE-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375207 435385829 /nfs/dbraw/zinc/38/58/29/435385829.db2.gz ALNFWLOUUUYPTD-HNAYVOBHSA-N 2 1 304.478 3.336 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513375207 435385834 /nfs/dbraw/zinc/38/58/34/435385834.db2.gz ALNFWLOUUUYPTD-HNAYVOBHSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513487328 435391819 /nfs/dbraw/zinc/39/18/19/435391819.db2.gz BIIPJVHFYCKUMU-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000480768655 435396283 /nfs/dbraw/zinc/39/62/83/435396283.db2.gz VXSWDNXGYZGSPH-MRXNPFEDSA-N 2 1 300.446 3.459 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657447 435480642 /nfs/dbraw/zinc/48/06/42/435480642.db2.gz RNKGGIBEZJSGMJ-IEBWSBKVSA-N 2 1 304.478 3.204 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657447 435480646 /nfs/dbraw/zinc/48/06/46/435480646.db2.gz RNKGGIBEZJSGMJ-IEBWSBKVSA-N 2 1 304.478 3.204 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000514953371 435452250 /nfs/dbraw/zinc/45/22/50/435452250.db2.gz VJNHJZIRXYQEDN-IXDOHACOSA-N 2 1 321.534 3.381 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644547067 435454250 /nfs/dbraw/zinc/45/42/50/435454250.db2.gz IJHLZYSHBYMJGI-NQIIRXRSSA-N 2 1 324.468 3.065 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644547067 435454255 /nfs/dbraw/zinc/45/42/55/435454255.db2.gz IJHLZYSHBYMJGI-NQIIRXRSSA-N 2 1 324.468 3.065 20 0 DGADMP c1cc(CCC[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc2c1OCC2 ZINC000482243730 435458743 /nfs/dbraw/zinc/45/87/43/435458743.db2.gz OZNOVQAOXLYPRZ-SFHVURJKSA-N 2 1 314.473 3.161 20 0 DGADMP c1cc(CCC[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc2c1OCC2 ZINC000482243730 435458746 /nfs/dbraw/zinc/45/87/46/435458746.db2.gz OZNOVQAOXLYPRZ-SFHVURJKSA-N 2 1 314.473 3.161 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649329 435458996 /nfs/dbraw/zinc/45/89/96/435458996.db2.gz KRWWIAXDEPWRMF-YJBOKZPZSA-N 2 1 323.440 3.251 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000568649329 435459000 /nfs/dbraw/zinc/45/90/00/435459000.db2.gz KRWWIAXDEPWRMF-YJBOKZPZSA-N 2 1 323.440 3.251 20 0 DGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984406 435479871 /nfs/dbraw/zinc/47/98/71/435479871.db2.gz UUYUUGFVDFLUJE-HKUYNNGSSA-N 2 1 316.489 3.101 20 0 DGADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)c2)cn1 ZINC000568392593 435432122 /nfs/dbraw/zinc/43/21/22/435432122.db2.gz MMCUPLJWRQRRRP-RHSMWYFYSA-N 2 1 317.458 3.325 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000568445315 435436477 /nfs/dbraw/zinc/43/64/77/435436477.db2.gz QTABKGWVOPFSSW-YSIASYRMSA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000568445315 435436481 /nfs/dbraw/zinc/43/64/81/435436481.db2.gz QTABKGWVOPFSSW-YSIASYRMSA-N 2 1 318.505 3.141 20 0 DGADMP COC1(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCCC1 ZINC000483269615 435505526 /nfs/dbraw/zinc/50/55/26/435505526.db2.gz HTULSVQSXONEBL-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP COC1(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000483269615 435505532 /nfs/dbraw/zinc/50/55/32/435505532.db2.gz HTULSVQSXONEBL-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP COC1(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000483269615 435505536 /nfs/dbraw/zinc/50/55/36/435505536.db2.gz HTULSVQSXONEBL-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)cn2cc[nH+]c12 ZINC000569256359 435518481 /nfs/dbraw/zinc/51/84/81/435518481.db2.gz KGVQDLDEOUHYHU-UHFFFAOYSA-N 2 1 314.433 3.236 20 0 DGADMP Cc1cc(NC(=O)CC[N@H+](C)C2CCCCC2)cn2cc[nH+]c12 ZINC000569256359 435518485 /nfs/dbraw/zinc/51/84/85/435518485.db2.gz KGVQDLDEOUHYHU-UHFFFAOYSA-N 2 1 314.433 3.236 20 0 DGADMP COCC(C)(C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000644841342 435527467 /nfs/dbraw/zinc/52/74/67/435527467.db2.gz CDCHNSOWNOIFQF-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CCC1([NH+]2CCCC2)CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000639985973 435482581 /nfs/dbraw/zinc/48/25/81/435482581.db2.gz GYGJCXXUNKMCGY-KDURUIRLSA-N 2 1 321.553 3.305 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482849145 435483779 /nfs/dbraw/zinc/48/37/79/435483779.db2.gz ZTPYKUYNOZQURD-IHPCNDPISA-N 2 1 318.505 3.284 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000568920632 435484266 /nfs/dbraw/zinc/48/42/66/435484266.db2.gz MZLFOCNZPYRAAB-YLFCFFPRSA-N 2 1 312.498 3.064 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000568920632 435484273 /nfs/dbraw/zinc/48/42/73/435484273.db2.gz MZLFOCNZPYRAAB-YLFCFFPRSA-N 2 1 312.498 3.064 20 0 DGADMP C[N@H+](C[C@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1)C1CC1 ZINC000644689602 435490837 /nfs/dbraw/zinc/49/08/37/435490837.db2.gz XQLFYYJGZMCAJK-LJQANCHMSA-N 2 1 317.477 3.298 20 0 DGADMP C[N@@H+](C[C@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1)C1CC1 ZINC000644689602 435490842 /nfs/dbraw/zinc/49/08/42/435490842.db2.gz XQLFYYJGZMCAJK-LJQANCHMSA-N 2 1 317.477 3.298 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2snnc2C)CC1)CC(C)C ZINC000569931806 435573258 /nfs/dbraw/zinc/57/32/58/435573258.db2.gz LNUBCJGHIRPZDG-UHFFFAOYSA-N 2 1 324.538 3.427 20 0 DGADMP c1ccc2oc([C@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000649411599 435580829 /nfs/dbraw/zinc/58/08/29/435580829.db2.gz KABYUBIUQMOVRM-CVEARBPZSA-N 2 1 313.445 3.397 20 0 DGADMP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418272 435582435 /nfs/dbraw/zinc/58/24/35/435582435.db2.gz SQMMCIYCVQUGQX-RBSFLKMASA-N 2 1 323.506 3.062 20 0 DGADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418272 435582443 /nfs/dbraw/zinc/58/24/43/435582443.db2.gz SQMMCIYCVQUGQX-RBSFLKMASA-N 2 1 323.506 3.062 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000570059235 435587138 /nfs/dbraw/zinc/58/71/38/435587138.db2.gz JVZVJNNZYPMQDY-UHFFFAOYSA-N 2 1 315.461 3.147 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000539091985 435537568 /nfs/dbraw/zinc/53/75/68/435537568.db2.gz LXDWMZHGCNZOOY-DGCLKSJQSA-N 2 1 317.260 3.302 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000569577179 435543990 /nfs/dbraw/zinc/54/39/90/435543990.db2.gz IZNDKJLHZQQNPL-IUCAKERBSA-N 2 1 305.647 3.318 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000516659671 435545244 /nfs/dbraw/zinc/54/52/44/435545244.db2.gz AGWRURQYWKSJEE-INIZCTEOSA-N 2 1 312.461 3.490 20 0 DGADMP CC[C@H](C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320749 435609166 /nfs/dbraw/zinc/60/91/66/435609166.db2.gz XOOILYOBXZYKFQ-DOPJRALCSA-N 2 1 324.896 3.472 20 0 DGADMP CC[C@H](C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000570320749 435609171 /nfs/dbraw/zinc/60/91/71/435609171.db2.gz XOOILYOBXZYKFQ-DOPJRALCSA-N 2 1 324.896 3.472 20 0 DGADMP CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000517750226 435609257 /nfs/dbraw/zinc/60/92/57/435609257.db2.gz ZKSBDRDYZQDMBZ-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000570342579 435610173 /nfs/dbraw/zinc/61/01/73/435610173.db2.gz DACVZHFBVCEDFZ-HNNXBMFYSA-N 2 1 302.466 3.233 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCN2C)CC1 ZINC000649551593 435620598 /nfs/dbraw/zinc/62/05/98/435620598.db2.gz FGIZXBDQQGAHDD-PKOBYXMFSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649551593 435620604 /nfs/dbraw/zinc/62/06/04/435620604.db2.gz FGIZXBDQQGAHDD-PKOBYXMFSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649551593 435620609 /nfs/dbraw/zinc/62/06/09/435620609.db2.gz FGIZXBDQQGAHDD-PKOBYXMFSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649551593 435620612 /nfs/dbraw/zinc/62/06/12/435620612.db2.gz FGIZXBDQQGAHDD-PKOBYXMFSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649551593 435620616 /nfs/dbraw/zinc/62/06/16/435620616.db2.gz FGIZXBDQQGAHDD-PKOBYXMFSA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000518266151 435630442 /nfs/dbraw/zinc/63/04/42/435630442.db2.gz MWUIAOPIHNHCNC-OAHLLOKOSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000518266151 435630445 /nfs/dbraw/zinc/63/04/45/435630445.db2.gz MWUIAOPIHNHCNC-OAHLLOKOSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000518266151 435630449 /nfs/dbraw/zinc/63/04/49/435630449.db2.gz MWUIAOPIHNHCNC-OAHLLOKOSA-N 2 1 300.450 3.165 20 0 DGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000570189487 435599012 /nfs/dbraw/zinc/59/90/12/435599012.db2.gz SSLSQGTVBBJRIU-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000570189488 435599463 /nfs/dbraw/zinc/59/94/63/435599463.db2.gz SSLSQGTVBBJRIU-SXLOBPIMSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)C(C)(C)C)C2)s1 ZINC000649603484 435640410 /nfs/dbraw/zinc/64/04/10/435640410.db2.gz OVUOYOPITNDLEH-WBVHZDCISA-N 2 1 324.534 3.217 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)C(C)(C)C)C2)s1 ZINC000649603484 435640415 /nfs/dbraw/zinc/64/04/15/435640415.db2.gz OVUOYOPITNDLEH-WBVHZDCISA-N 2 1 324.534 3.217 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000570981536 435669084 /nfs/dbraw/zinc/66/90/84/435669084.db2.gz QGETVELVEQEUTP-IAGOWNOFSA-N 2 1 305.466 3.070 20 0 DGADMP CC[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000519161853 435673979 /nfs/dbraw/zinc/67/39/79/435673979.db2.gz QIECVRZPOZYJMD-JKSUJKDBSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000519161853 435673981 /nfs/dbraw/zinc/67/39/81/435673981.db2.gz QIECVRZPOZYJMD-JKSUJKDBSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000519161853 435673985 /nfs/dbraw/zinc/67/39/85/435673985.db2.gz QIECVRZPOZYJMD-JKSUJKDBSA-N 2 1 310.507 3.235 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367091 300256136 /nfs/dbraw/zinc/25/61/36/300256136.db2.gz BRORKNYSALDXDW-PXNSSMCTSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CCCO1 ZINC000278367091 300256137 /nfs/dbraw/zinc/25/61/37/300256137.db2.gz BRORKNYSALDXDW-PXNSSMCTSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483668 435696272 /nfs/dbraw/zinc/69/62/72/435696272.db2.gz HDSBBWPBNPTMTH-WIYYLYMNSA-N 2 1 323.484 3.433 20 0 DGADMP OCc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000641367796 435730696 /nfs/dbraw/zinc/73/06/96/435730696.db2.gz OHUSJDYHXICWIE-YQQQUEKLSA-N 2 1 323.440 3.181 20 0 DGADMP c1ccc2c(c1)cccc2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703402 435736406 /nfs/dbraw/zinc/73/64/06/435736406.db2.gz GEBDCBRURUVYMU-LJQANCHMSA-N 2 1 310.441 3.183 20 0 DGADMP CC(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655707478 435740524 /nfs/dbraw/zinc/74/05/24/435740524.db2.gz UVUDNKCPGMMBQT-LJQANCHMSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000655715714 435742418 /nfs/dbraw/zinc/74/24/18/435742418.db2.gz NFDDRYYJUJBQCK-MRXNPFEDSA-N 2 1 322.518 3.259 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711552 435744199 /nfs/dbraw/zinc/74/41/99/435744199.db2.gz LLQJWCOAJLGZOI-QUCCMNQESA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655711552 435744208 /nfs/dbraw/zinc/74/42/08/435744208.db2.gz LLQJWCOAJLGZOI-QUCCMNQESA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711552 435744215 /nfs/dbraw/zinc/74/42/15/435744215.db2.gz LLQJWCOAJLGZOI-QUCCMNQESA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711550 435744378 /nfs/dbraw/zinc/74/43/78/435744378.db2.gz LLQJWCOAJLGZOI-ICSRJNTNSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655711550 435744383 /nfs/dbraw/zinc/74/43/83/435744383.db2.gz LLQJWCOAJLGZOI-ICSRJNTNSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711550 435744388 /nfs/dbraw/zinc/74/43/88/435744388.db2.gz LLQJWCOAJLGZOI-ICSRJNTNSA-N 2 1 324.472 3.206 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000655719498 435746338 /nfs/dbraw/zinc/74/63/38/435746338.db2.gz KFEPUVIOVPHOQA-DKKFBQAASA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Sc1ccccc1 ZINC000655718860 435747174 /nfs/dbraw/zinc/74/71/74/435747174.db2.gz FAHNDYLGWSIRAY-RDJZCZTQSA-N 2 1 320.502 3.010 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1cccs1 ZINC000655720280 435747677 /nfs/dbraw/zinc/74/76/77/435747677.db2.gz SBMYMAHMFWHJKD-RDJZCZTQSA-N 2 1 322.518 3.160 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000655719376 435748355 /nfs/dbraw/zinc/74/83/55/435748355.db2.gz RXCVFEXCXUJIKV-SYNHAJSKSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000655719376 435748358 /nfs/dbraw/zinc/74/83/58/435748358.db2.gz RXCVFEXCXUJIKV-SYNHAJSKSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000655722041 435750862 /nfs/dbraw/zinc/75/08/62/435750862.db2.gz VKOQHIRUBIEBDX-ZDUSSCGKSA-N 2 1 320.868 3.264 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655725953 435754243 /nfs/dbraw/zinc/75/42/43/435754243.db2.gz OGPXIAFLEMONIK-RHSMWYFYSA-N 2 1 322.518 3.221 20 0 DGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000548714743 435711722 /nfs/dbraw/zinc/71/17/22/435711722.db2.gz RLJJEKHTZSZREU-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000548714743 435711727 /nfs/dbraw/zinc/71/17/27/435711727.db2.gz RLJJEKHTZSZREU-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000651675768 435787328 /nfs/dbraw/zinc/78/73/28/435787328.db2.gz BLQREFXLQLEPLR-QGZVFWFLSA-N 2 1 324.472 3.063 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000651675768 435787334 /nfs/dbraw/zinc/78/73/34/435787334.db2.gz BLQREFXLQLEPLR-QGZVFWFLSA-N 2 1 324.472 3.063 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccncc2N)cc1 ZINC000641707327 435793667 /nfs/dbraw/zinc/79/36/67/435793667.db2.gz JARAGDDKNHZZRS-MRXNPFEDSA-N 2 1 324.472 3.328 20 0 DGADMP CSc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000641712587 435795993 /nfs/dbraw/zinc/79/59/93/435795993.db2.gz LITMJTLXORWSNL-UHFFFAOYSA-N 2 1 320.458 3.232 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC000660539770 435796062 /nfs/dbraw/zinc/79/60/62/435796062.db2.gz NTPBVTHHJBACIV-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539770 435796066 /nfs/dbraw/zinc/79/60/66/435796066.db2.gz NTPBVTHHJBACIV-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000660539770 435796071 /nfs/dbraw/zinc/79/60/71/435796071.db2.gz NTPBVTHHJBACIV-QUCCMNQESA-N 2 1 314.473 3.152 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551039663 435820659 /nfs/dbraw/zinc/82/06/59/435820659.db2.gz UARXSMWDWDFVSW-NZSAHSFTSA-N 2 1 304.478 3.210 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551039663 435820662 /nfs/dbraw/zinc/82/06/62/435820662.db2.gz UARXSMWDWDFVSW-NZSAHSFTSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660473672 435764417 /nfs/dbraw/zinc/76/44/17/435764417.db2.gz SJQHVQCUDCXGAI-GOEBONIOSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473672 435764428 /nfs/dbraw/zinc/76/44/28/435764428.db2.gz SJQHVQCUDCXGAI-GOEBONIOSA-N 2 1 324.415 3.213 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C[NH+](C)C ZINC000491593455 435776714 /nfs/dbraw/zinc/77/67/14/435776714.db2.gz GHGIVAOARAKEOI-NSHDSACASA-N 2 1 322.346 3.054 20 0 DGADMP c1cc(C2CCC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655759926 435780968 /nfs/dbraw/zinc/78/09/68/435780968.db2.gz UHRXPERXKZLUIM-HXUWFJFHSA-N 2 1 314.473 3.297 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1nsc3ccccc31)CC[NH2+]CC2 ZINC000641799190 435829396 /nfs/dbraw/zinc/82/93/96/435829396.db2.gz KYFSRPYHIAAFGX-ZDUSSCGKSA-N 2 1 301.459 3.260 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000655838743 435829713 /nfs/dbraw/zinc/82/97/13/435829713.db2.gz OSCUUIOUPDWQKZ-KRWDZBQOSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CO1 ZINC000572521396 435835511 /nfs/dbraw/zinc/83/55/11/435835511.db2.gz GNIUDYZZTZQQPM-DABHTEOTSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CO1 ZINC000572521397 435836908 /nfs/dbraw/zinc/83/69/08/435836908.db2.gz GNIUDYZZTZQQPM-HKUYMTLNSA-N 2 1 314.473 3.197 20 0 DGADMP C1CCC([NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000655848945 435840943 /nfs/dbraw/zinc/84/09/43/435840943.db2.gz MGTCLGZCNBNKJF-PMACEKPBSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)CC1 ZINC000655848945 435840953 /nfs/dbraw/zinc/84/09/53/435840953.db2.gz MGTCLGZCNBNKJF-PMACEKPBSA-N 2 1 319.537 3.390 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1Oc1ccccc1 ZINC000551543402 435841052 /nfs/dbraw/zinc/84/10/52/435841052.db2.gz VZHCCRGTDQVVGK-LZQZEXGQSA-N 2 1 314.473 3.306 20 0 DGADMP CCCN(Cc1[nH+]c(C(C)C)n2ccccc12)[C@H]1CC[N@H+](C)C1 ZINC000651843814 435844910 /nfs/dbraw/zinc/84/49/10/435844910.db2.gz QWWWZKCZCTWQGS-INIZCTEOSA-N 2 1 314.477 3.374 20 0 DGADMP CCCN(Cc1[nH+]c(C(C)C)n2ccccc12)[C@H]1CC[N@@H+](C)C1 ZINC000651843814 435844912 /nfs/dbraw/zinc/84/49/12/435844912.db2.gz QWWWZKCZCTWQGS-INIZCTEOSA-N 2 1 314.477 3.374 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(Br)c1)C2 ZINC000660654434 435844927 /nfs/dbraw/zinc/84/49/27/435844927.db2.gz ZXUAANMHDTWZTK-MRXNPFEDSA-N 2 1 323.278 3.367 20 0 DGADMP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000660660598 435847591 /nfs/dbraw/zinc/84/75/91/435847591.db2.gz XHCRRXYVSOFCQF-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000660660598 435847597 /nfs/dbraw/zinc/84/75/97/435847597.db2.gz XHCRRXYVSOFCQF-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000660660598 435847606 /nfs/dbraw/zinc/84/76/06/435847606.db2.gz XHCRRXYVSOFCQF-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ncsc1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679964 435858215 /nfs/dbraw/zinc/85/82/15/435858215.db2.gz VCRGHVKEAQDUHW-UHFFFAOYSA-N 2 1 315.486 3.248 20 0 DGADMP CC[C@H](OCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000651908642 435860585 /nfs/dbraw/zinc/86/05/85/435860585.db2.gz KHIPQZZCPYQJKE-WDSOQIARSA-N 2 1 304.478 3.474 20 0 DGADMP CCc1nn(C)cc1C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651910379 435861041 /nfs/dbraw/zinc/86/10/41/435861041.db2.gz RBUWIFAVNHORSA-UHFFFAOYSA-N 2 1 306.498 3.117 20 0 DGADMP CCc1nn(C)cc1C[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000651910379 435861046 /nfs/dbraw/zinc/86/10/46/435861046.db2.gz RBUWIFAVNHORSA-UHFFFAOYSA-N 2 1 306.498 3.117 20 0 DGADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)noc2c1 ZINC000655941585 435864230 /nfs/dbraw/zinc/86/42/30/435864230.db2.gz XMZNFUIBYOKWIJ-HOTGVXAUSA-N 2 1 313.445 3.082 20 0 DGADMP CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000651912350 435864537 /nfs/dbraw/zinc/86/45/37/435864537.db2.gz USVKOIWIVVBCSD-QGZVFWFLSA-N 2 1 320.477 3.016 20 0 DGADMP C[C@H]1CCSCC[NH+]1CCCC[N@@H+]1CCSCC[C@@H]1C ZINC000551985828 435868170 /nfs/dbraw/zinc/86/81/70/435868170.db2.gz DETQQBHDSINIGM-HOTGVXAUSA-N 2 1 316.580 3.421 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000551200384 435824146 /nfs/dbraw/zinc/82/41/46/435824146.db2.gz HGZSLVHAJHSBST-BRWVUGGUSA-N 2 1 312.498 3.207 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000551200384 435824152 /nfs/dbraw/zinc/82/41/52/435824152.db2.gz HGZSLVHAJHSBST-BRWVUGGUSA-N 2 1 312.498 3.207 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@H]2CCC[C@H]21 ZINC000641791943 435826340 /nfs/dbraw/zinc/82/63/40/435826340.db2.gz LSTKPQMRRJVXNA-IVMMDQJWSA-N 2 1 301.459 3.259 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@H]2CCC[C@H]21 ZINC000641791943 435826346 /nfs/dbraw/zinc/82/63/46/435826346.db2.gz LSTKPQMRRJVXNA-IVMMDQJWSA-N 2 1 301.459 3.259 20 0 DGADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652145049 435914189 /nfs/dbraw/zinc/91/41/89/435914189.db2.gz BKMLSOMNUXMORA-HIFRSBDPSA-N 2 1 324.465 3.093 20 0 DGADMP Cc1cnc(CCNc2cc[nH+]c(N3CCCCC3)n2)c(C)c1 ZINC000656210631 435914423 /nfs/dbraw/zinc/91/44/23/435914423.db2.gz BHVHGXHERNJBCJ-UHFFFAOYSA-N 2 1 311.433 3.133 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC000652222723 435926989 /nfs/dbraw/zinc/92/69/89/435926989.db2.gz WCMWEOCXNYJESF-OAHLLOKOSA-N 2 1 305.466 3.274 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CCSCC1 ZINC000665254791 435929876 /nfs/dbraw/zinc/92/98/76/435929876.db2.gz ZVFLKBROYYXDEM-MORSLUCNSA-N 2 1 322.493 3.393 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000665255261 435930193 /nfs/dbraw/zinc/93/01/93/435930193.db2.gz NARJZRXLKFHVHQ-ACOUUOOQSA-N 2 1 302.462 3.165 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC2CCC2)cc1 ZINC000665256212 435930224 /nfs/dbraw/zinc/93/02/24/435930224.db2.gz SLBSAECLBFZHMT-CCKFTAQKSA-N 2 1 302.462 3.309 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC2CC2)cc1 ZINC000665254858 435930660 /nfs/dbraw/zinc/93/06/60/435930660.db2.gz AHIWRFSTEJIALO-JVPBZIDWSA-N 2 1 302.462 3.309 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254738 435930755 /nfs/dbraw/zinc/93/07/55/435930755.db2.gz YQCIOYFPZNCGOV-JEDBISTDSA-N 2 1 320.452 3.066 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H]2C)cc1F ZINC000665258587 435931723 /nfs/dbraw/zinc/93/17/23/435931723.db2.gz FJRCZUIKHCGLHY-CSFVBSKPSA-N 2 1 306.425 3.058 20 0 DGADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665262269 435932467 /nfs/dbraw/zinc/93/24/67/435932467.db2.gz XJCSUCFFEIMDDU-SSKCKEOISA-N 2 1 318.367 3.467 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)[C@H]1C[C@@H]1C ZINC000665259681 435932748 /nfs/dbraw/zinc/93/27/48/435932748.db2.gz MUPWFJJLGCDCED-DNDFJUTLSA-N 2 1 320.452 3.304 20 0 DGADMP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902180 435880395 /nfs/dbraw/zinc/88/03/95/435880395.db2.gz PIPKUAVDZBFAGO-QAPCUYQASA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902180 435880398 /nfs/dbraw/zinc/88/03/98/435880398.db2.gz PIPKUAVDZBFAGO-QAPCUYQASA-N 2 1 322.880 3.445 20 0 DGADMP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3CC[C@@H]3CCC[NH2+]C3)O2)cc1 ZINC000652364308 435958595 /nfs/dbraw/zinc/95/85/95/435958595.db2.gz GFCYVDYWSMHWTR-LEAZDLGRSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CO1 ZINC000647171873 435958866 /nfs/dbraw/zinc/95/88/66/435958866.db2.gz ZNZPEFDVYVGUGC-FCEWJHQRSA-N 2 1 302.462 3.328 20 0 DGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363637 435958970 /nfs/dbraw/zinc/95/89/70/435958970.db2.gz JULABUBJLCVRAM-OTWHNJEPSA-N 2 1 302.462 3.110 20 0 DGADMP CCc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362587 435959099 /nfs/dbraw/zinc/95/90/99/435959099.db2.gz KKNBCVWGRZHBPM-AQNXPRMDSA-N 2 1 316.489 3.152 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@H]3CCCO3)CC23CC3)cc1 ZINC000647170505 435959571 /nfs/dbraw/zinc/95/95/71/435959571.db2.gz BVPVDGGNBOSFPO-RTBURBONSA-N 2 1 314.473 3.342 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@H]3CCCO3)CC23CC3)cc1 ZINC000647170505 435959575 /nfs/dbraw/zinc/95/95/75/435959575.db2.gz BVPVDGGNBOSFPO-RTBURBONSA-N 2 1 314.473 3.342 20 0 DGADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363382 435959862 /nfs/dbraw/zinc/95/98/62/435959862.db2.gz CPXCTYSWICPPKY-QRVBRYPASA-N 2 1 302.462 3.110 20 0 DGADMP CC(C)Cn1nccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000647171853 435960252 /nfs/dbraw/zinc/96/02/52/435960252.db2.gz YXKAGOQKYUFWHC-QGZVFWFLSA-N 2 1 306.498 3.141 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CO1 ZINC000647171875 435960295 /nfs/dbraw/zinc/96/02/95/435960295.db2.gz ZNZPEFDVYVGUGC-GPMSIDNRSA-N 2 1 302.462 3.328 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647176825 435962217 /nfs/dbraw/zinc/96/22/17/435962217.db2.gz AGACPZTUKKXCHA-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647176825 435962226 /nfs/dbraw/zinc/96/22/26/435962226.db2.gz AGACPZTUKKXCHA-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647179876 435963562 /nfs/dbraw/zinc/96/35/62/435963562.db2.gz UNGURLNRPOXYFI-HNNXBMFYSA-N 2 1 323.444 3.112 20 0 DGADMP C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000656512062 435964135 /nfs/dbraw/zinc/96/41/35/435964135.db2.gz ICCNQGFBBROMAP-KPVZCZOYSA-N 2 1 322.880 3.224 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000650706535 435994667 /nfs/dbraw/zinc/99/46/67/435994667.db2.gz MUNKJTPOPUHFHA-NLWGTHIKSA-N 2 1 314.473 3.282 20 0 DGADMP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000647243841 435988878 /nfs/dbraw/zinc/98/88/78/435988878.db2.gz PTKIZYUPXQPESC-LPHOPBHVSA-N 2 1 304.478 3.038 20 0 DGADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647248784 435991211 /nfs/dbraw/zinc/99/12/11/435991211.db2.gz CRIADDKVEVVBOI-RTWAWAEBSA-N 2 1 324.468 3.268 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706262 435995235 /nfs/dbraw/zinc/99/52/35/435995235.db2.gz HOHMQMBWJPOHSL-OTWHNJEPSA-N 2 1 302.462 3.022 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000647249336 435993394 /nfs/dbraw/zinc/99/33/94/435993394.db2.gz SMNTXYGITCWKQU-QYZOEREBSA-N 2 1 314.473 3.023 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277104 435937121 /nfs/dbraw/zinc/93/71/21/435937121.db2.gz TXKYPOSLONIRPO-YQVWRLOYSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277104 435937125 /nfs/dbraw/zinc/93/71/25/435937125.db2.gz TXKYPOSLONIRPO-YQVWRLOYSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277104 435937129 /nfs/dbraw/zinc/93/71/29/435937129.db2.gz TXKYPOSLONIRPO-YQVWRLOYSA-N 3 1 315.505 3.004 20 0 DGADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000665282418 435937721 /nfs/dbraw/zinc/93/77/21/435937721.db2.gz XVKNOENFPJWHOK-QXAKKESOSA-N 2 1 303.494 3.003 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1)C(C)C ZINC000647150395 435951040 /nfs/dbraw/zinc/95/10/40/435951040.db2.gz DZALWGQIIPFIEV-MRXNPFEDSA-N 2 1 314.433 3.391 20 0 DGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348059 435954255 /nfs/dbraw/zinc/95/42/55/435954255.db2.gz TUKLIIXSIVPEKO-FHIRATQRSA-N 2 1 324.415 3.244 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000652350323 435955692 /nfs/dbraw/zinc/95/56/92/435955692.db2.gz SJMUEPHZXWEQFR-ZACQAIPSSA-N 2 1 324.415 3.343 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2)n1 ZINC000652352332 435956602 /nfs/dbraw/zinc/95/66/02/435956602.db2.gz FSEPIGXIHOGJFX-ICSRJNTNSA-N 2 1 324.472 3.050 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000647168880 435956740 /nfs/dbraw/zinc/95/67/40/435956740.db2.gz PUSAJHIAMJQBPF-UHFFFAOYSA-N 2 1 312.461 3.146 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348820 435957168 /nfs/dbraw/zinc/95/71/68/435957168.db2.gz SFUHBWUFZWBMGZ-GDAAHCPNSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(OC(F)F)cc1C ZINC000650709196 435997356 /nfs/dbraw/zinc/99/73/56/435997356.db2.gz IWGWVCYUDBTYDN-YJBOKZPZSA-N 2 1 324.415 3.466 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(OC(F)F)cc1C ZINC000650709196 435997362 /nfs/dbraw/zinc/99/73/62/435997362.db2.gz IWGWVCYUDBTYDN-YJBOKZPZSA-N 2 1 324.415 3.466 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)[C@H]1CC[NH3+] ZINC000650710952 435997466 /nfs/dbraw/zinc/99/74/66/435997466.db2.gz DHDNQYKLSUOLDB-WFASDCNBSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)[C@H]1CC[NH3+] ZINC000650710952 435997472 /nfs/dbraw/zinc/99/74/72/435997472.db2.gz DHDNQYKLSUOLDB-WFASDCNBSA-N 2 1 320.868 3.176 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OC ZINC000650710869 435998783 /nfs/dbraw/zinc/99/87/83/435998783.db2.gz AZHLXBSBDNINPN-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)[C@@H]1CC[NH3+] ZINC000650712096 436000806 /nfs/dbraw/zinc/00/08/06/436000806.db2.gz QKQLBPZBFTVICT-SMDDNHRTSA-N 2 1 307.438 3.385 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)[C@@H]1CC[NH3+] ZINC000650712096 436000809 /nfs/dbraw/zinc/00/08/09/436000809.db2.gz QKQLBPZBFTVICT-SMDDNHRTSA-N 2 1 307.438 3.385 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000650715147 436001546 /nfs/dbraw/zinc/00/15/46/436001546.db2.gz RLXUFIKLLLEZSG-QRQLOZEOSA-N 2 1 316.489 3.480 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721758 436005119 /nfs/dbraw/zinc/00/51/19/436005119.db2.gz AKKQRXOESIFYKM-GUDVDZBRSA-N 2 1 302.462 3.164 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650722305 436005441 /nfs/dbraw/zinc/00/54/41/436005441.db2.gz OZFSWUCZHOXBIU-OTWHNJEPSA-N 2 1 302.462 3.164 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650722303 436005718 /nfs/dbraw/zinc/00/57/18/436005718.db2.gz OZFSWUCZHOXBIU-GUDVDZBRSA-N 2 1 302.462 3.164 20 0 DGADMP CCCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722874 436006155 /nfs/dbraw/zinc/00/61/55/436006155.db2.gz COGQJVCFYJLJKN-VAMGGRTRSA-N 2 1 316.489 3.500 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000650722643 436006350 /nfs/dbraw/zinc/00/63/50/436006350.db2.gz YNMNUWGDCGRKNS-IXDOHACOSA-N 2 1 308.853 3.201 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000650722676 436006805 /nfs/dbraw/zinc/00/68/05/436006805.db2.gz ZDLCVRPWTHPYJL-KWCYVHTRSA-N 2 1 314.882 3.262 20 0 DGADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723816 436007525 /nfs/dbraw/zinc/00/75/25/436007525.db2.gz UIMGPDXJSSNUOR-RRFJBIMHSA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723816 436007529 /nfs/dbraw/zinc/00/75/29/436007529.db2.gz UIMGPDXJSSNUOR-RRFJBIMHSA-N 2 1 323.506 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000650723061 436008452 /nfs/dbraw/zinc/00/84/52/436008452.db2.gz HAOBDYLGJZHYHW-ZACQAIPSSA-N 2 1 324.415 3.485 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000650723949 436008757 /nfs/dbraw/zinc/00/87/57/436008757.db2.gz WDEDJACFGNRMHN-UTRMSSBJSA-N 2 1 320.452 3.290 20 0 DGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1C ZINC000656700409 436013408 /nfs/dbraw/zinc/01/34/08/436013408.db2.gz KBGPKDJXUCDICE-MOPGFXCFSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1C ZINC000656700409 436013411 /nfs/dbraw/zinc/01/34/11/436013411.db2.gz KBGPKDJXUCDICE-MOPGFXCFSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700409 436013415 /nfs/dbraw/zinc/01/34/15/436013415.db2.gz KBGPKDJXUCDICE-MOPGFXCFSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700409 436013417 /nfs/dbraw/zinc/01/34/17/436013417.db2.gz KBGPKDJXUCDICE-MOPGFXCFSA-N 2 1 304.478 3.141 20 0 DGADMP CCCCC[N@@H+](CCN[C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000650741503 436014512 /nfs/dbraw/zinc/01/45/12/436014512.db2.gz FQCIVSLGICIHLD-OALUTQOASA-N 2 1 303.494 3.148 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752195 436019575 /nfs/dbraw/zinc/01/95/75/436019575.db2.gz LQTXISPVNKYQMI-ZDUSSCGKSA-N 2 1 302.393 3.452 20 0 DGADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647336532 436021305 /nfs/dbraw/zinc/02/13/05/436021305.db2.gz BRCOEBLVSHVLIF-RAUXBKROSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763863 436025031 /nfs/dbraw/zinc/02/50/31/436025031.db2.gz KWFFEQUGKBRAKF-HNNXBMFYSA-N 3 1 312.461 3.221 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCSCC1 ZINC000647344256 436025351 /nfs/dbraw/zinc/02/53/51/436025351.db2.gz MSGNDVNKYZQSKQ-IPELMVKDSA-N 2 1 318.530 3.453 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000647344610 436026122 /nfs/dbraw/zinc/02/61/22/436026122.db2.gz VITRHBMJKDZZSA-HSALFYBXSA-N 2 1 321.468 3.394 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000647344610 436026132 /nfs/dbraw/zinc/02/61/32/436026132.db2.gz VITRHBMJKDZZSA-HSALFYBXSA-N 2 1 321.468 3.394 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000647344609 436026549 /nfs/dbraw/zinc/02/65/49/436026549.db2.gz VITRHBMJKDZZSA-AABGKKOBSA-N 2 1 321.468 3.394 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000647344609 436026555 /nfs/dbraw/zinc/02/65/55/436026555.db2.gz VITRHBMJKDZZSA-AABGKKOBSA-N 2 1 321.468 3.394 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1F ZINC000656782302 436041917 /nfs/dbraw/zinc/04/19/17/436041917.db2.gz DNYPHTKYMOCXCY-OAHLLOKOSA-N 2 1 306.425 3.046 20 0 DGADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656782247 436042776 /nfs/dbraw/zinc/04/27/76/436042776.db2.gz DDUIRNRLZZJAMT-GOSISDBHSA-N 2 1 324.472 3.084 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784581 436044833 /nfs/dbraw/zinc/04/48/33/436044833.db2.gz FNXNPUWEQXGRDW-GOSISDBHSA-N 2 1 302.462 3.297 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OC ZINC000656788644 436046917 /nfs/dbraw/zinc/04/69/17/436046917.db2.gz WGCDQXZPCGETNZ-AWEZNQCLSA-N 2 1 306.450 3.234 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccsc3Cl)C2)C1 ZINC000650707954 435995790 /nfs/dbraw/zinc/99/57/90/435995790.db2.gz QKFXCEDGIJOOKJ-MRVWCRGKSA-N 2 1 314.882 3.120 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000650707366 435996714 /nfs/dbraw/zinc/99/67/14/435996714.db2.gz DRSYYIRNWBBXLA-HYEGPXJVSA-N 2 1 320.452 3.148 20 0 DGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C2CCCCC2)n1 ZINC000650709123 435997089 /nfs/dbraw/zinc/99/70/89/435997089.db2.gz DAPIPOCKGFNPAB-HKUYNNGSSA-N 2 1 316.493 3.029 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000650709209 435997245 /nfs/dbraw/zinc/99/72/45/435997245.db2.gz JQMANNLXWPHSMO-KSSFIOAISA-N 2 1 315.848 3.449 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480915 436058918 /nfs/dbraw/zinc/05/89/18/436058918.db2.gz ARBFYPRBCCZBQE-SJORKVTESA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480915 436058926 /nfs/dbraw/zinc/05/89/26/436058926.db2.gz ARBFYPRBCCZBQE-SJORKVTESA-N 2 1 318.461 3.058 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480181 436059482 /nfs/dbraw/zinc/05/94/82/436059482.db2.gz GBEMAFDVSURUJC-PXNSSMCTSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480181 436059488 /nfs/dbraw/zinc/05/94/88/436059488.db2.gz GBEMAFDVSURUJC-PXNSSMCTSA-N 2 1 324.472 3.145 20 0 DGADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480764 436061467 /nfs/dbraw/zinc/06/14/67/436061467.db2.gz ZIQMIANOLBTACK-GOEBONIOSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480764 436061473 /nfs/dbraw/zinc/06/14/73/436061473.db2.gz ZIQMIANOLBTACK-GOEBONIOSA-N 2 1 310.388 3.252 20 0 DGADMP COc1ccc2oc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2c1 ZINC000647482666 436062344 /nfs/dbraw/zinc/06/23/44/436062344.db2.gz XBNOPFREKGZKDA-UHFFFAOYSA-N 2 1 300.402 3.158 20 0 DGADMP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647496566 436065041 /nfs/dbraw/zinc/06/50/41/436065041.db2.gz VMPZVPYHAAZYGF-XJKSGUPXSA-N 2 1 324.428 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647496566 436065046 /nfs/dbraw/zinc/06/50/46/436065046.db2.gz VMPZVPYHAAZYGF-XJKSGUPXSA-N 2 1 324.428 3.002 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@@H]1[NH3+] ZINC000647498557 436067448 /nfs/dbraw/zinc/06/74/48/436067448.db2.gz KAOKKAYAIAIXKE-HIFRSBDPSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@@H]1[NH3+] ZINC000647498557 436067453 /nfs/dbraw/zinc/06/74/53/436067453.db2.gz KAOKKAYAIAIXKE-HIFRSBDPSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@H]1[NH3+] ZINC000647498177 436067493 /nfs/dbraw/zinc/06/74/93/436067493.db2.gz CDUCUHQAXPPGJL-HZPDHXFCSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@H]1[NH3+] ZINC000647498177 436067497 /nfs/dbraw/zinc/06/74/97/436067497.db2.gz CDUCUHQAXPPGJL-HZPDHXFCSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647498175 436067513 /nfs/dbraw/zinc/06/75/13/436067513.db2.gz CDUCUHQAXPPGJL-CVEARBPZSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647498175 436067514 /nfs/dbraw/zinc/06/75/14/436067514.db2.gz CDUCUHQAXPPGJL-CVEARBPZSA-N 2 1 306.450 3.042 20 0 DGADMP Cc1ccc(-c2ncc(C[NH+]3CCC(C)([NH3+])CC3)s2)cc1 ZINC000647531292 436073172 /nfs/dbraw/zinc/07/31/72/436073172.db2.gz MPFVYDLAKUYYJE-UHFFFAOYSA-N 2 1 301.459 3.432 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000647542801 436077770 /nfs/dbraw/zinc/07/77/70/436077770.db2.gz CABIDJPBUXYHTD-MSOLQXFVSA-N 2 1 324.472 3.084 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543618 436077797 /nfs/dbraw/zinc/07/77/97/436077797.db2.gz QIMSUQYAIKRLIN-HOTGVXAUSA-N 2 1 306.425 3.046 20 0 DGADMP c1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647542725 436077950 /nfs/dbraw/zinc/07/79/50/436077950.db2.gz AUWWZIGFKXVZAR-MOPGFXCFSA-N 2 1 309.457 3.446 20 0 DGADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000647544406 436080638 /nfs/dbraw/zinc/08/06/38/436080638.db2.gz ZZRAIQXYXVVKFF-ROUUACIJSA-N 2 1 324.472 3.288 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544371 436080808 /nfs/dbraw/zinc/08/08/08/436080808.db2.gz ZMHKLCJOBBITRD-ZWKOTPCHSA-N 2 1 302.462 3.297 20 0 DGADMP C[N@@H+](CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCCCC1 ZINC000665856300 436082034 /nfs/dbraw/zinc/08/20/34/436082034.db2.gz QAJOXRKZQRPXJN-UHFFFAOYSA-N 2 1 323.525 3.066 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000647551256 436082835 /nfs/dbraw/zinc/08/28/35/436082835.db2.gz DBZPJLHQEVCSAZ-SWLSCSKDSA-N 2 1 312.379 3.325 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000657174714 436087065 /nfs/dbraw/zinc/08/70/65/436087065.db2.gz AGUFPCAPCQRUHL-GFCCVEGCSA-N 2 1 307.825 3.303 20 0 DGADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000657307205 436128226 /nfs/dbraw/zinc/12/82/26/436128226.db2.gz CQUVRIJQYCMWJR-UHFFFAOYSA-N 2 1 314.477 3.423 20 0 DGADMP Cc1c[nH]c(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000657309760 436128827 /nfs/dbraw/zinc/12/88/27/436128827.db2.gz GMTNZZDFMPZFBT-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000657309760 436128834 /nfs/dbraw/zinc/12/88/34/436128834.db2.gz GMTNZZDFMPZFBT-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000657309760 436128837 /nfs/dbraw/zinc/12/88/37/436128837.db2.gz GMTNZZDFMPZFBT-INIZCTEOSA-N 2 1 312.461 3.382 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)CC1 ZINC000657308139 436129929 /nfs/dbraw/zinc/12/99/29/436129929.db2.gz OLGGCMKQHLVAPK-RTBURBONSA-N 2 1 309.542 3.353 20 0 DGADMP COCc1csc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000657311894 436130094 /nfs/dbraw/zinc/13/00/94/436130094.db2.gz YPRJPFIDIADPDF-OAHLLOKOSA-N 2 1 310.507 3.496 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647844367 436132096 /nfs/dbraw/zinc/13/20/96/436132096.db2.gz LKTXJXRDJCVQAU-SWLSCSKDSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000651189044 436133476 /nfs/dbraw/zinc/13/34/76/436133476.db2.gz VFSLVNCTWDBJJJ-FGTMMUONSA-N 2 1 303.494 3.360 20 0 DGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000651189044 436133478 /nfs/dbraw/zinc/13/34/78/436133478.db2.gz VFSLVNCTWDBJJJ-FGTMMUONSA-N 2 1 303.494 3.360 20 0 DGADMP C[N@@H+](CCC[NH3+])CCCCOc1ccccc1C(F)(F)F ZINC000647848597 436134747 /nfs/dbraw/zinc/13/47/47/436134747.db2.gz XGSZIOHBWVFIBO-UHFFFAOYSA-N 2 1 304.356 3.145 20 0 DGADMP c1cc2c(cc[nH+]c2N[C@H](C[NH+]2CCOCC2)c2ccccc2)[nH]1 ZINC000647850908 436134936 /nfs/dbraw/zinc/13/49/36/436134936.db2.gz JCYAZAHGXBHPCL-GOSISDBHSA-N 2 1 322.412 3.048 20 0 DGADMP c1cc2c(cc[nH+]c2NCc2cccc(C[NH+]3CCOCC3)c2)[nH]1 ZINC000647858022 436136208 /nfs/dbraw/zinc/13/62/08/436136208.db2.gz XWRAOPWQTYTKPO-UHFFFAOYSA-N 2 1 322.412 3.007 20 0 DGADMP Cc1c[nH]c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000657356168 436154381 /nfs/dbraw/zinc/15/43/81/436154381.db2.gz CEQHVHMTUVIOIZ-AYHJJNSGSA-N 2 1 310.445 3.003 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](c1ccccc1)C2 ZINC000647890733 436142888 /nfs/dbraw/zinc/14/28/88/436142888.db2.gz LUIBIYLNFCIWMW-IIBYNOLFSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](c1ccccc1)C2 ZINC000647890733 436142894 /nfs/dbraw/zinc/14/28/94/436142894.db2.gz LUIBIYLNFCIWMW-IIBYNOLFSA-N 2 1 322.452 3.404 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902884 436144496 /nfs/dbraw/zinc/14/44/96/436144496.db2.gz DDULHOUOFILZCV-QZTJIDSGSA-N 2 1 302.462 3.146 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967431 436163056 /nfs/dbraw/zinc/16/30/56/436163056.db2.gz FSKPJTGKVQSJBO-IAGOWNOFSA-N 2 1 310.457 3.204 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000647967431 436163064 /nfs/dbraw/zinc/16/30/64/436163064.db2.gz FSKPJTGKVQSJBO-IAGOWNOFSA-N 2 1 310.457 3.204 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657528967 436237475 /nfs/dbraw/zinc/23/74/75/436237475.db2.gz OGKNSSNKVRGBGA-IHJVYAAUSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000657528967 436237488 /nfs/dbraw/zinc/23/74/88/436237488.db2.gz OGKNSSNKVRGBGA-IHJVYAAUSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+](CCCc1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000653673067 436240757 /nfs/dbraw/zinc/24/07/57/436240757.db2.gz HWNKYVRTTPHXJV-YIONKMFJSA-N 2 1 308.416 3.454 20 0 DGADMP Clc1ccc2c(c1)OCCC[C@H]2NCc1cnc2n1CCC2 ZINC000657428517 436195391 /nfs/dbraw/zinc/19/53/91/436195391.db2.gz JXUXQCBADWOBRU-OAHLLOKOSA-N 2 1 317.820 3.486 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429567 436198201 /nfs/dbraw/zinc/19/82/01/436198201.db2.gz KBWVNRYACSLBCW-WBVHZDCISA-N 2 1 316.493 3.036 20 0 DGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429567 436198203 /nfs/dbraw/zinc/19/82/03/436198203.db2.gz KBWVNRYACSLBCW-WBVHZDCISA-N 2 1 316.493 3.036 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429566 436198288 /nfs/dbraw/zinc/19/82/88/436198288.db2.gz KBWVNRYACSLBCW-RDJZCZTQSA-N 2 1 316.493 3.036 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429566 436198292 /nfs/dbraw/zinc/19/82/92/436198292.db2.gz KBWVNRYACSLBCW-RDJZCZTQSA-N 2 1 316.493 3.036 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000653557308 436204465 /nfs/dbraw/zinc/20/44/65/436204465.db2.gz NEDBZMWQMCGYRT-QGZVFWFLSA-N 2 1 301.459 3.143 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000653557308 436204469 /nfs/dbraw/zinc/20/44/69/436204469.db2.gz NEDBZMWQMCGYRT-QGZVFWFLSA-N 2 1 301.459 3.143 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661845772 436206697 /nfs/dbraw/zinc/20/66/97/436206697.db2.gz VVKYDFOIGKMTDY-CVEARBPZSA-N 2 1 305.466 3.298 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2noc3ccccc32)[C@H](C)C1 ZINC000653582116 436213882 /nfs/dbraw/zinc/21/38/82/436213882.db2.gz XSOVHOYAXPGSSB-RHSMWYFYSA-N 2 1 301.434 3.032 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1c(F)cccc1F ZINC000653587574 436216769 /nfs/dbraw/zinc/21/67/69/436216769.db2.gz IWTBSNLZRBWPNX-UHFFFAOYSA-N 2 1 307.388 3.424 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1c(F)cccc1F ZINC000653587574 436216771 /nfs/dbraw/zinc/21/67/71/436216771.db2.gz IWTBSNLZRBWPNX-UHFFFAOYSA-N 2 1 307.388 3.424 20 0 DGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653599627 436220360 /nfs/dbraw/zinc/22/03/60/436220360.db2.gz WZNSRXMFLAZSEO-OAHLLOKOSA-N 2 1 301.434 3.491 20 0 DGADMP CC[N@H+](CCC[NH2+]Cc1c(C2CC2)cnn1C)C1CCCCC1 ZINC000657499543 436228981 /nfs/dbraw/zinc/22/89/81/436228981.db2.gz BIMVJBBJLRBXPP-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@@H+](CCC[NH2+]Cc1c(C2CC2)cnn1C)C1CCCCC1 ZINC000657499543 436228984 /nfs/dbraw/zinc/22/89/84/436228984.db2.gz BIMVJBBJLRBXPP-UHFFFAOYSA-N 2 1 318.509 3.432 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]1(C)CO ZINC000662144960 436287227 /nfs/dbraw/zinc/28/72/27/436287227.db2.gz VALKIFLWUNZNPN-PXNSSMCTSA-N 2 1 316.489 3.123 20 0 DGADMP Clc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855450 436295168 /nfs/dbraw/zinc/29/51/68/436295168.db2.gz SHHHEZGPSQUWSR-LBPRGKRZSA-N 2 1 317.658 3.334 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657750651 436295406 /nfs/dbraw/zinc/29/54/06/436295406.db2.gz KZFLVHPIPINFRE-HXUWFJFHSA-N 2 1 316.489 3.228 20 0 DGADMP Clc1ccc(OCC2CC2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666857893 436295629 /nfs/dbraw/zinc/29/56/29/436295629.db2.gz OKTOCHYPTRMANH-MRXNPFEDSA-N 2 1 308.853 3.361 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000657562345 436244906 /nfs/dbraw/zinc/24/49/06/436244906.db2.gz GBZWLTKSFYHHDC-QGZVFWFLSA-N 2 1 307.526 3.246 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657561363 436246031 /nfs/dbraw/zinc/24/60/31/436246031.db2.gz FVKAHKWUFYXWPH-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562253 436246373 /nfs/dbraw/zinc/24/63/73/436246373.db2.gz LTQWVJFPRHIIKQ-NZSAHSFTSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000657562253 436246375 /nfs/dbraw/zinc/24/63/75/436246375.db2.gz LTQWVJFPRHIIKQ-NZSAHSFTSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657562253 436246378 /nfs/dbraw/zinc/24/63/78/436246378.db2.gz LTQWVJFPRHIIKQ-NZSAHSFTSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657562253 436246381 /nfs/dbraw/zinc/24/63/81/436246381.db2.gz LTQWVJFPRHIIKQ-NZSAHSFTSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657596156 436257332 /nfs/dbraw/zinc/25/73/32/436257332.db2.gz LUABYPQGFYPMDT-NSISKUIASA-N 2 1 316.489 3.169 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805929 436268329 /nfs/dbraw/zinc/26/83/29/436268329.db2.gz CZNLAKGFNODKOX-UHFFFAOYSA-N 2 1 321.428 3.014 20 0 DGADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000666769037 436278147 /nfs/dbraw/zinc/27/81/47/436278147.db2.gz QQJYYEHQPONOMP-WFASDCNBSA-N 2 1 311.267 3.284 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662211148 436301236 /nfs/dbraw/zinc/30/12/36/436301236.db2.gz CUPDBSDJLJFLGY-SFHVURJKSA-N 2 1 312.457 3.411 20 0 DGADMP CCCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1ccccc1 ZINC000662258113 436313157 /nfs/dbraw/zinc/31/31/57/436313157.db2.gz WXWFPZHTIROJQE-FUHWJXTLSA-N 2 1 302.462 3.371 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812867 436313387 /nfs/dbraw/zinc/31/33/87/436313387.db2.gz IWPRYMJWBXUEMK-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251550 436313896 /nfs/dbraw/zinc/31/38/96/436313896.db2.gz FIJNDWZDEUHXTQ-LJQANCHMSA-N 2 1 322.452 3.306 20 0 DGADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256905 436314000 /nfs/dbraw/zinc/31/40/00/436314000.db2.gz ZFXSLDGIPGELMM-QZTJIDSGSA-N 2 1 300.446 3.043 20 0 DGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252195 436314062 /nfs/dbraw/zinc/31/40/62/436314062.db2.gz LXQPAMOAAKAHOG-MSOLQXFVSA-N 2 1 300.446 3.125 20 0 DGADMP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250289 436315082 /nfs/dbraw/zinc/31/50/82/436315082.db2.gz DFEAWWPQYZLCNH-INIZCTEOSA-N 2 1 308.853 3.071 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OC ZINC000666981183 436319438 /nfs/dbraw/zinc/31/94/38/436319438.db2.gz ZBQOJHNQOYFJGY-CXAGYDPISA-N 2 1 308.466 3.336 20 0 DGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280205 436321263 /nfs/dbraw/zinc/32/12/63/436321263.db2.gz YZDZQGZPECZCBH-UONOGXRCSA-N 2 1 323.506 3.089 20 0 DGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662279869 436321672 /nfs/dbraw/zinc/32/16/72/436321672.db2.gz MXACVYPCAKAQCW-FQEVSTJZSA-N 2 1 324.468 3.022 20 0 DGADMP CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662278731 436322124 /nfs/dbraw/zinc/32/21/24/436322124.db2.gz LNTJZTRXOOFHFM-LJQANCHMSA-N 2 1 324.472 3.276 20 0 DGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662278731 436322128 /nfs/dbraw/zinc/32/21/28/436322128.db2.gz LNTJZTRXOOFHFM-LJQANCHMSA-N 2 1 324.472 3.276 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000662274393 436322276 /nfs/dbraw/zinc/32/22/76/436322276.db2.gz SVBWJDNPMZCFIA-IPMKNSEASA-N 2 1 302.462 3.086 20 0 DGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1OC(C)C ZINC000666999419 436322527 /nfs/dbraw/zinc/32/25/27/436322527.db2.gz GTNGGXNHZGNGKG-MRXNPFEDSA-N 2 1 318.461 3.247 20 0 DGADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290889 436323310 /nfs/dbraw/zinc/32/33/10/436323310.db2.gz MOZNPGRPWUWFOO-ZFWWWQNUSA-N 2 1 320.481 3.140 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000662282735 436323887 /nfs/dbraw/zinc/32/38/87/436323887.db2.gz JTOJJAFNEGOLPD-RDBSUJKOSA-N 2 1 303.475 3.144 20 0 DGADMP CCCc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662292025 436324111 /nfs/dbraw/zinc/32/41/11/436324111.db2.gz KYESGXPNNQKRSS-OAHLLOKOSA-N 2 1 307.507 3.307 20 0 DGADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662293785 436325920 /nfs/dbraw/zinc/32/59/20/436325920.db2.gz TTYKFANLVYOWTD-UKRRQHHQSA-N 2 1 323.506 3.062 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CC[NH2+]C2)cc1 ZINC000662304504 436327025 /nfs/dbraw/zinc/32/70/25/436327025.db2.gz KUAMZBYVAAYWFS-VLFFPSDRSA-N 2 1 300.446 3.060 20 0 DGADMP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC1 ZINC000657850330 436327065 /nfs/dbraw/zinc/32/70/65/436327065.db2.gz IBUSAXVAZFQECA-CYBMUJFWSA-N 2 1 317.408 3.367 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC[NH2+]CC2)cc1 ZINC000662304496 436327261 /nfs/dbraw/zinc/32/72/61/436327261.db2.gz KQFQAYOCNQWBAK-UFRUDQCGSA-N 2 1 314.473 3.451 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657858376 436327532 /nfs/dbraw/zinc/32/75/32/436327532.db2.gz HRJVNVYDYVNASE-HKUYNNGSSA-N 2 1 316.489 3.446 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657858532 436328224 /nfs/dbraw/zinc/32/82/24/436328224.db2.gz HRJVNVYDYVNASE-IEBWSBKVSA-N 2 1 316.489 3.446 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c2c(c1)C[NH2+]CC2 ZINC000662314884 436328768 /nfs/dbraw/zinc/32/87/68/436328768.db2.gz QBGDPCQMIVCVED-UYAOXDASSA-N 2 1 314.473 3.113 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)[C@@H]1CCC[NH3+] ZINC000662315084 436328946 /nfs/dbraw/zinc/32/89/46/436328946.db2.gz GIEFDPQAWUAJFB-UKRRQHHQSA-N 2 1 306.454 3.067 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662316318 436329085 /nfs/dbraw/zinc/32/90/85/436329085.db2.gz WBBORXGRJSVBOJ-UYAOXDASSA-N 2 1 318.505 3.475 20 0 DGADMP COc1ccc(OCCC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662312787 436329467 /nfs/dbraw/zinc/32/94/67/436329467.db2.gz DYVQUBJZVXGFKM-VQIMIIECSA-N 2 1 320.477 3.304 20 0 DGADMP CCCc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662322914 436330936 /nfs/dbraw/zinc/33/09/36/436330936.db2.gz NNWBEMUKWAYZBK-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662322914 436330939 /nfs/dbraw/zinc/33/09/39/436330939.db2.gz NNWBEMUKWAYZBK-LJQANCHMSA-N 2 1 304.478 3.182 20 0 DGADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000657873352 436331899 /nfs/dbraw/zinc/33/18/99/436331899.db2.gz MAGAFNHYYXYIOF-IXDOHACOSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000658069143 436364295 /nfs/dbraw/zinc/36/42/95/436364295.db2.gz MNGZSBSQXOBCEO-OWCLPIDISA-N 2 1 321.896 3.239 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000658096695 436374853 /nfs/dbraw/zinc/37/48/53/436374853.db2.gz OAVDYFDGAFKHSG-VNTMZGSJSA-N 2 1 314.473 3.056 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000662725948 436381616 /nfs/dbraw/zinc/38/16/16/436381616.db2.gz BGGMTJKQELOUDB-GOSISDBHSA-N 2 1 319.493 3.022 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137598 436384703 /nfs/dbraw/zinc/38/47/03/436384703.db2.gz KIYKSIYGBKINIO-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP CCCC[C@H](CC)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136832 436384792 /nfs/dbraw/zinc/38/47/92/436384792.db2.gz FJVJBUNTBREWRH-RBUKOAKNSA-N 2 1 304.478 3.312 20 0 DGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135873 436384883 /nfs/dbraw/zinc/38/48/83/436384883.db2.gz FPGYXORWEUGSGC-IPMKNSEASA-N 2 1 316.489 3.168 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)C1 ZINC000658137917 436385125 /nfs/dbraw/zinc/38/51/25/436385125.db2.gz MKKYWUJWBFSXTM-OALUTQOASA-N 2 1 314.473 3.066 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658146038 436386492 /nfs/dbraw/zinc/38/64/92/436386492.db2.gz UBLUBUPNMSKZBS-LAUBAEHRSA-N 2 1 324.468 3.412 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142652 436386740 /nfs/dbraw/zinc/38/67/40/436386740.db2.gz VYJGGUSONTYZDZ-MDZRGWNJSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658144450 436387194 /nfs/dbraw/zinc/38/71/94/436387194.db2.gz MCXCEQQGCDEWGM-JXFKEZNVSA-N 2 1 310.441 3.104 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccs1 ZINC000658146021 436387459 /nfs/dbraw/zinc/38/74/59/436387459.db2.gz TUJSPZNRCIHLQD-WMLDXEAASA-N 2 1 316.470 3.166 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658140635 436387544 /nfs/dbraw/zinc/38/75/44/436387544.db2.gz VRXSPJLGCGZOAC-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000658194556 436399069 /nfs/dbraw/zinc/39/90/69/436399069.db2.gz PEIAGQARUJEAJS-RXABAKJHSA-N 2 1 300.446 3.059 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC000658222457 436403828 /nfs/dbraw/zinc/40/38/28/436403828.db2.gz XFHXRWIPWGTDQZ-LFGUQSLTSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCSCC2)[C@H](c2ccccc2)C1 ZINC000658041987 436358238 /nfs/dbraw/zinc/35/82/38/436358238.db2.gz NMYFPPRGURNHTP-KURKYZTESA-N 2 1 304.503 3.207 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663470635 436467228 /nfs/dbraw/zinc/46/72/28/436467228.db2.gz VUTIGUQTKROJGJ-NVXWUHKLSA-N 2 1 302.462 3.468 20 0 DGADMP CC(C)n1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468589 436465505 /nfs/dbraw/zinc/46/55/05/436465505.db2.gz MJKBSFKUNGABSK-WBVHZDCISA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663468589 436465508 /nfs/dbraw/zinc/46/55/08/436465508.db2.gz MJKBSFKUNGABSK-WBVHZDCISA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663468589 436465511 /nfs/dbraw/zinc/46/55/11/436465511.db2.gz MJKBSFKUNGABSK-WBVHZDCISA-N 2 1 304.482 3.237 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(F)ccc1Br ZINC000663501064 436471106 /nfs/dbraw/zinc/47/11/06/436471106.db2.gz ZFSWATVJDUOBNO-CYBMUJFWSA-N 2 1 303.219 3.051 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)cc(C)n2)C1 ZINC000663674258 436490031 /nfs/dbraw/zinc/49/00/31/436490031.db2.gz RXZCSXFGZMNTMD-LBPRGKRZSA-N 2 1 301.356 3.187 20 0 DGADMP CC[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000663674258 436490035 /nfs/dbraw/zinc/49/00/35/436490035.db2.gz RXZCSXFGZMNTMD-LBPRGKRZSA-N 2 1 301.356 3.187 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000663674258 436490037 /nfs/dbraw/zinc/49/00/37/436490037.db2.gz RXZCSXFGZMNTMD-LBPRGKRZSA-N 2 1 301.356 3.187 20 0 DGADMP CC[NH+](CC)CCCC1CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000663786870 436507949 /nfs/dbraw/zinc/50/79/49/436507949.db2.gz KWDKPGBCFMOJSO-UHFFFAOYSA-N 2 1 319.493 3.221 20 0 DGADMP COc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010078 436579155 /nfs/dbraw/zinc/57/91/55/436579155.db2.gz FONMDLVXLLIUHM-UKRRQHHQSA-N 2 1 308.853 3.265 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000659910192 436557672 /nfs/dbraw/zinc/55/76/72/436557672.db2.gz NYBIHGKZJBHPSE-RTBURBONSA-N 2 1 321.553 3.305 20 0 DGADMP c1ccc(COCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000659944588 436565094 /nfs/dbraw/zinc/56/50/94/436565094.db2.gz MUWOIWVBRYQTGF-IBGZPJMESA-N 2 1 302.462 3.154 20 0 DGADMP c1ccc(COCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000659944588 436565099 /nfs/dbraw/zinc/56/50/99/436565099.db2.gz MUWOIWVBRYQTGF-IBGZPJMESA-N 2 1 302.462 3.154 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@@H+]1C ZINC000659983050 436570850 /nfs/dbraw/zinc/57/08/50/436570850.db2.gz CHBPYKGRCHIVNH-OCCSQVGLSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2F)CC[N@H+]1C ZINC000659983050 436570854 /nfs/dbraw/zinc/57/08/54/436570854.db2.gz CHBPYKGRCHIVNH-OCCSQVGLSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983050 436570857 /nfs/dbraw/zinc/57/08/57/436570857.db2.gz CHBPYKGRCHIVNH-OCCSQVGLSA-N 2 1 314.445 3.471 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCSc2ccc(F)cc2F)CC[NH+]1C ZINC000659983050 436570860 /nfs/dbraw/zinc/57/08/60/436570860.db2.gz CHBPYKGRCHIVNH-OCCSQVGLSA-N 2 1 314.445 3.471 20 0 DGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3CC=CC3)CC2)CC1 ZINC000659993646 436577054 /nfs/dbraw/zinc/57/70/54/436577054.db2.gz QJXFLFCBTRAURW-UHFFFAOYSA-N 2 1 319.537 3.081 20 0 DGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CC=CC1 ZINC000659993646 436577057 /nfs/dbraw/zinc/57/70/57/436577057.db2.gz QJXFLFCBTRAURW-UHFFFAOYSA-N 3 1 319.537 3.081 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CC=CC1 ZINC000659993646 436577059 /nfs/dbraw/zinc/57/70/59/436577059.db2.gz QJXFLFCBTRAURW-UHFFFAOYSA-N 3 1 319.537 3.081 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000660317462 436622643 /nfs/dbraw/zinc/62/26/43/436622643.db2.gz PWHQSYKPCCMVKK-SFHVURJKSA-N 2 1 324.896 3.221 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000660317462 436622645 /nfs/dbraw/zinc/62/26/45/436622645.db2.gz PWHQSYKPCCMVKK-SFHVURJKSA-N 2 1 324.896 3.221 20 0 DGADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000664362883 436590555 /nfs/dbraw/zinc/59/05/55/436590555.db2.gz CSQBSRNVCJKCQY-MRXNPFEDSA-N 2 1 315.848 3.488 20 0 DGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000664362883 436590559 /nfs/dbraw/zinc/59/05/59/436590559.db2.gz CSQBSRNVCJKCQY-MRXNPFEDSA-N 2 1 315.848 3.488 20 0 DGADMP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1Cl ZINC000660115477 436590852 /nfs/dbraw/zinc/59/08/52/436590852.db2.gz AGFFZBQMTBZSPN-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1Cl ZINC000660115477 436590856 /nfs/dbraw/zinc/59/08/56/436590856.db2.gz AGFFZBQMTBZSPN-UHFFFAOYSA-N 2 1 307.825 3.376 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](CCc1nsc3ccccc31)CC2 ZINC000660167014 436598036 /nfs/dbraw/zinc/59/80/36/436598036.db2.gz KMHYFNVYEDNUDJ-UHFFFAOYSA-N 2 1 315.486 3.399 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CCc1nsc3ccccc31)CC2 ZINC000660167014 436598040 /nfs/dbraw/zinc/59/80/40/436598040.db2.gz KMHYFNVYEDNUDJ-UHFFFAOYSA-N 2 1 315.486 3.399 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2COC(C)(C)C2)CC1)CC1CC1 ZINC000660168598 436599802 /nfs/dbraw/zinc/59/98/02/436599802.db2.gz VEBPEBZKOCKBIW-GOSISDBHSA-N 2 1 308.510 3.388 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194233 436602066 /nfs/dbraw/zinc/60/20/66/436602066.db2.gz GPLYQMFDCZMSHV-GOEBONIOSA-N 2 1 310.507 3.150 20 0 DGADMP CCSc1ccc([C@@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194231 436602529 /nfs/dbraw/zinc/60/25/29/436602529.db2.gz GPLYQMFDCZMSHV-GDBMZVCRSA-N 2 1 310.507 3.150 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000660200590 436604058 /nfs/dbraw/zinc/60/40/58/436604058.db2.gz SDCUQFCFVANWHL-AEFFLSMTSA-N 2 1 306.494 3.373 20 0 DGADMP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)on1 ZINC000660205434 436605297 /nfs/dbraw/zinc/60/52/97/436605297.db2.gz WNUMAXFRPJELIO-LBPRGKRZSA-N 2 1 312.373 3.028 20 0 DGADMP Cc1c2ccccc2oc1[C@H](C)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000660263712 436616257 /nfs/dbraw/zinc/61/62/57/436616257.db2.gz MAFLOVXRJKDWCB-LSDHHAIUSA-N 2 1 304.434 3.093 20 0 DGADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ncn1 ZINC000664562013 436618313 /nfs/dbraw/zinc/61/83/13/436618313.db2.gz FKBHJQMQDCJZOU-SFHVURJKSA-N 2 1 322.456 3.499 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)CNC(C)(C)c1cccc(Cl)c1F ZINC000660303327 436620485 /nfs/dbraw/zinc/62/04/85/436620485.db2.gz RZDYWOOHTUDYBK-GFCCVEGCSA-N 2 1 316.848 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000660304493 436621071 /nfs/dbraw/zinc/62/10/71/436621071.db2.gz FFLFGVGEQBLIAC-UZLBHIALSA-N 2 1 309.457 3.269 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000660308007 436621613 /nfs/dbraw/zinc/62/16/13/436621613.db2.gz XPACPQADFIMQFW-JKEDJMADSA-N 2 1 308.510 3.149 20 0 DGADMP CCC[C@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000530619053 313389314 /nfs/dbraw/zinc/38/93/14/313389314.db2.gz CWWQFQVKXQCYFF-IBGZPJMESA-N 2 1 306.494 3.285 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000530667260 313394758 /nfs/dbraw/zinc/39/47/58/313394758.db2.gz BRHZAIMALLYBFN-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530667260 313394764 /nfs/dbraw/zinc/39/47/64/313394764.db2.gz BRHZAIMALLYBFN-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530667260 313394770 /nfs/dbraw/zinc/39/47/70/313394770.db2.gz BRHZAIMALLYBFN-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000535008050 313690013 /nfs/dbraw/zinc/69/00/13/313690013.db2.gz YETMTWYFEYTESZ-CQSZACIVSA-N 2 1 324.428 3.174 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000541566224 314023261 /nfs/dbraw/zinc/02/32/61/314023261.db2.gz PEJFBEVMNYYABF-XEYPJELSSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CCC2)o1 ZINC000541731894 314034120 /nfs/dbraw/zinc/03/41/20/314034120.db2.gz COGUYLBWQAREMJ-IEBWSBKVSA-N 2 1 320.477 3.256 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccn(C)n1 ZINC000544580233 314201174 /nfs/dbraw/zinc/20/11/74/314201174.db2.gz MVDNSUKDUKGQFR-SFHVURJKSA-N 2 1 312.461 3.257 20 0 DGADMP C[C@H](CCC1CC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545279329 314240592 /nfs/dbraw/zinc/24/05/92/314240592.db2.gz DLUPVJWOFQELQM-NVXWUHKLSA-N 2 1 321.534 3.205 20 0 DGADMP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000546566313 314311125 /nfs/dbraw/zinc/31/11/25/314311125.db2.gz LYMOIILJASCIBU-IAERKFLBSA-N 2 1 316.489 3.307 20 0 DGADMP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000546566313 314311127 /nfs/dbraw/zinc/31/11/27/314311127.db2.gz LYMOIILJASCIBU-IAERKFLBSA-N 2 1 316.489 3.307 20 0 DGADMP CCSc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccn1 ZINC000547654979 314384334 /nfs/dbraw/zinc/38/43/34/314384334.db2.gz FITHSJGHEBGKKV-UHFFFAOYSA-N 2 1 305.491 3.158 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CCCC2)CC1 ZINC000549040872 314491320 /nfs/dbraw/zinc/49/13/20/314491320.db2.gz JVIHJNYTAWEQOB-CGTJXYLNSA-N 2 1 306.494 3.188 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000562353381 315013176 /nfs/dbraw/zinc/01/31/76/315013176.db2.gz UQBUICINLUXXKO-UHFFFAOYSA-N 2 1 307.482 3.488 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000562959736 315065028 /nfs/dbraw/zinc/06/50/28/315065028.db2.gz OPADOISAAZACGQ-ROUUACIJSA-N 2 1 320.440 3.054 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000562958780 315065063 /nfs/dbraw/zinc/06/50/63/315065063.db2.gz UHJBNSQNBVFMNK-HYVNUMGLSA-N 2 1 309.885 3.050 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c[nH+]ccc1N ZINC000562956735 315065188 /nfs/dbraw/zinc/06/51/88/315065188.db2.gz ZGOKYWHXVRAOSJ-FEUHOPSXSA-N 2 1 305.784 3.493 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c2ccccn21 ZINC000563256921 315096146 /nfs/dbraw/zinc/09/61/46/315096146.db2.gz FEDLBODVJOFKAQ-MRXNPFEDSA-N 2 1 314.477 3.278 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@H+](C(C)C)C2)c2ccccn21 ZINC000563256921 315096147 /nfs/dbraw/zinc/09/61/47/315096147.db2.gz FEDLBODVJOFKAQ-MRXNPFEDSA-N 2 1 314.477 3.278 20 0 DGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563350454 315104517 /nfs/dbraw/zinc/10/45/17/315104517.db2.gz NPWIMTCDGJHAOB-ZBFHGGJFSA-N 2 1 301.409 3.370 20 0 DGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563350454 315104519 /nfs/dbraw/zinc/10/45/19/315104519.db2.gz NPWIMTCDGJHAOB-ZBFHGGJFSA-N 2 1 301.409 3.370 20 0 DGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000564557158 315182294 /nfs/dbraw/zinc/18/22/94/315182294.db2.gz IBPRIJKHNUIZEJ-SNVBAGLBSA-N 2 1 303.219 3.238 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cncnc1C ZINC000564585759 315184549 /nfs/dbraw/zinc/18/45/49/315184549.db2.gz RVUITDKDGMQZHE-BQFCYCMXSA-N 2 1 304.482 3.336 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cncnc1C ZINC000564585927 315184755 /nfs/dbraw/zinc/18/47/55/315184755.db2.gz RVUITDKDGMQZHE-RYRKJORJSA-N 2 1 304.482 3.336 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000564761651 315197471 /nfs/dbraw/zinc/19/74/71/315197471.db2.gz SUUGTADBSFTLSP-YQVWRLOYSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000564761651 315197472 /nfs/dbraw/zinc/19/74/72/315197472.db2.gz SUUGTADBSFTLSP-YQVWRLOYSA-N 2 1 303.494 3.140 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000564761651 315197474 /nfs/dbraw/zinc/19/74/74/315197474.db2.gz SUUGTADBSFTLSP-YQVWRLOYSA-N 2 1 303.494 3.140 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000564973817 315216261 /nfs/dbraw/zinc/21/62/61/315216261.db2.gz UDTWYOVFVQTSDX-HZPDHXFCSA-N 2 1 313.470 3.160 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000564973817 315216264 /nfs/dbraw/zinc/21/62/64/315216264.db2.gz UDTWYOVFVQTSDX-HZPDHXFCSA-N 2 1 313.470 3.160 20 0 DGADMP CCN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[N@@H+](C)CC ZINC000565160670 315236290 /nfs/dbraw/zinc/23/62/90/315236290.db2.gz DJMALPJMBLHMBH-CYBMUJFWSA-N 2 1 319.276 3.128 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@@H]3CCOC3)C2)s1 ZINC000565719314 315282997 /nfs/dbraw/zinc/28/29/97/315282997.db2.gz IHSKZAZRMASDEY-IAGOWNOFSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@@H]3CCOC3)C2)s1 ZINC000565719314 315282998 /nfs/dbraw/zinc/28/29/98/315282998.db2.gz IHSKZAZRMASDEY-IAGOWNOFSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@@H]3CCOC3)C2)s1 ZINC000565719314 315282999 /nfs/dbraw/zinc/28/29/99/315282999.db2.gz IHSKZAZRMASDEY-IAGOWNOFSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000565902651 315296753 /nfs/dbraw/zinc/29/67/53/315296753.db2.gz ADKAFDWZQYSIJL-RISCZKNCSA-N 2 1 311.267 3.330 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417306 315342965 /nfs/dbraw/zinc/34/29/65/315342965.db2.gz XBFUJWRZCOUNKK-IRXDYDNUSA-N 2 1 310.869 3.083 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000566417306 315342967 /nfs/dbraw/zinc/34/29/67/315342967.db2.gz XBFUJWRZCOUNKK-IRXDYDNUSA-N 2 1 310.869 3.083 20 0 DGADMP C[C@H]([N@H+](Cc1ccccc1)C[C@@H](O)CN(C)C1CC1)C(C)(C)C ZINC000566648001 315364324 /nfs/dbraw/zinc/36/43/24/315364324.db2.gz ZBCYODZDIXVTNN-LPHOPBHVSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648001 315364327 /nfs/dbraw/zinc/36/43/27/315364327.db2.gz ZBCYODZDIXVTNN-LPHOPBHVSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648001 315364329 /nfs/dbraw/zinc/36/43/29/315364329.db2.gz ZBCYODZDIXVTNN-LPHOPBHVSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000566648001 315364331 /nfs/dbraw/zinc/36/43/31/315364331.db2.gz ZBCYODZDIXVTNN-LPHOPBHVSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000566648001 315364334 /nfs/dbraw/zinc/36/43/34/315364334.db2.gz ZBCYODZDIXVTNN-LPHOPBHVSA-N 2 1 318.505 3.378 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000572295878 315781894 /nfs/dbraw/zinc/78/18/94/315781894.db2.gz CYFPFHJWJRDWGU-UHFFFAOYSA-N 2 1 315.486 3.295 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251236 316045963 /nfs/dbraw/zinc/04/59/63/316045963.db2.gz AMBGHZOYYKVLFC-QGPMSJSTSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000575251236 316045964 /nfs/dbraw/zinc/04/59/64/316045964.db2.gz AMBGHZOYYKVLFC-QGPMSJSTSA-N 2 1 322.880 3.021 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000575326455 316047674 /nfs/dbraw/zinc/04/76/74/316047674.db2.gz WWYRWWZTYPGIRY-INIZCTEOSA-N 2 1 315.461 3.172 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000575326455 316047677 /nfs/dbraw/zinc/04/76/77/316047677.db2.gz WWYRWWZTYPGIRY-INIZCTEOSA-N 2 1 315.461 3.172 20 0 DGADMP Cc1ccccc1C[N@@H+](CCn1ccnc1)Cc1ccccn1 ZINC000576164236 316101346 /nfs/dbraw/zinc/10/13/46/316101346.db2.gz PVGZGQOWLBUDCJ-UHFFFAOYSA-N 2 1 306.413 3.289 20 0 DGADMP Cc1ccccc1CN(CCn1ccnc1)Cc1ccccn1 ZINC000576164236 316101350 /nfs/dbraw/zinc/10/13/50/316101350.db2.gz PVGZGQOWLBUDCJ-UHFFFAOYSA-N 2 1 306.413 3.289 20 0 DGADMP c1cc(OC2CCCCC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576268586 316112479 /nfs/dbraw/zinc/11/24/79/316112479.db2.gz LPYFCCBIEABEMF-SJPCQFCGSA-N 2 1 315.461 3.166 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c(C)c1OC ZINC000576595386 316148251 /nfs/dbraw/zinc/14/82/51/316148251.db2.gz KGNYHQRKMLCDBU-CQSZACIVSA-N 2 1 317.433 3.029 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OCC ZINC000578070002 316300982 /nfs/dbraw/zinc/30/09/82/316300982.db2.gz BFNGUFUQTAQPPP-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OCC ZINC000578070002 316300989 /nfs/dbraw/zinc/30/09/89/316300989.db2.gz BFNGUFUQTAQPPP-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2nccn2C)C2CC2)C1 ZINC000183248739 323332041 /nfs/dbraw/zinc/33/20/41/323332041.db2.gz YUXZBWYPLYJNAH-SOLBZPMBSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1cnc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)s1 ZINC000185362158 323388059 /nfs/dbraw/zinc/38/80/59/323388059.db2.gz JVOGWDYDOJJYCP-HNNXBMFYSA-N 2 1 304.463 3.478 20 0 DGADMP FC(F)(F)C1C[NH+](CCCCC[NH+]2CC(C(F)(F)F)C2)C1 ZINC000580522072 324007373 /nfs/dbraw/zinc/00/73/73/324007373.db2.gz DMZBXIHZVBMVRY-UHFFFAOYSA-N 2 1 318.305 3.145 20 0 DGADMP CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000580665782 324024717 /nfs/dbraw/zinc/02/47/17/324024717.db2.gz JUHDRWOFOBISHW-XUVXKRRUSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000581938049 324170178 /nfs/dbraw/zinc/17/01/78/324170178.db2.gz ZLTILXKHBHLXKU-CZUORRHYSA-N 2 1 323.868 3.179 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000581938027 324170248 /nfs/dbraw/zinc/17/02/48/324170248.db2.gz XKWDCEXPVMUMDV-SJORKVTESA-N 2 1 303.450 3.153 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117395 324191472 /nfs/dbraw/zinc/19/14/72/324191472.db2.gz OTYASSMVNWFWIB-YXJHDRRASA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117395 324191476 /nfs/dbraw/zinc/19/14/76/324191476.db2.gz OTYASSMVNWFWIB-YXJHDRRASA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000582195656 324202103 /nfs/dbraw/zinc/20/21/03/324202103.db2.gz MSPGHCSZFXMWLC-ZCNNSNEGSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000582195656 324202106 /nfs/dbraw/zinc/20/21/06/324202106.db2.gz MSPGHCSZFXMWLC-ZCNNSNEGSA-N 2 1 322.452 3.415 20 0 DGADMP c1ccc2c(c1)CC(C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213086 324203462 /nfs/dbraw/zinc/20/34/62/324203462.db2.gz OZPDGGJISHKMNM-PZJWPPBQSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2 ZINC000582213086 324203466 /nfs/dbraw/zinc/20/34/66/324203466.db2.gz OZPDGGJISHKMNM-PZJWPPBQSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2 ZINC000582213086 324203468 /nfs/dbraw/zinc/20/34/68/324203468.db2.gz OZPDGGJISHKMNM-PZJWPPBQSA-N 2 1 310.485 3.350 20 0 DGADMP c1ccc2c(c1)CC(C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000582213086 324203471 /nfs/dbraw/zinc/20/34/71/324203471.db2.gz OZPDGGJISHKMNM-PZJWPPBQSA-N 2 1 310.485 3.350 20 0 DGADMP C[C@@H](c1ccc(F)cc1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000582368756 324221809 /nfs/dbraw/zinc/22/18/09/324221809.db2.gz QOSOQTOYNONJJT-GJZGRUSLSA-N 2 1 306.425 3.072 20 0 DGADMP C[C@@H](c1ccc(F)cc1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000582368756 324221813 /nfs/dbraw/zinc/22/18/13/324221813.db2.gz QOSOQTOYNONJJT-GJZGRUSLSA-N 2 1 306.425 3.072 20 0 DGADMP CC1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000583137971 324317668 /nfs/dbraw/zinc/31/76/68/324317668.db2.gz YQPAQZSDCGIEBR-MSOLQXFVSA-N 2 1 316.493 3.068 20 0 DGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000583137972 324317812 /nfs/dbraw/zinc/31/78/12/324317812.db2.gz YQPAQZSDCGIEBR-QZTJIDSGSA-N 2 1 316.493 3.068 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000583467643 324357531 /nfs/dbraw/zinc/35/75/31/324357531.db2.gz LDWLKBBSGKVPDR-WBVHZDCISA-N 2 1 322.468 3.333 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437325 337325096 /nfs/dbraw/zinc/32/50/96/337325096.db2.gz DHTOCRUHOBXNOJ-DYVFJYSZSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437325 337325097 /nfs/dbraw/zinc/32/50/97/337325097.db2.gz DHTOCRUHOBXNOJ-DYVFJYSZSA-N 2 1 302.393 3.488 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000584437325 337325098 /nfs/dbraw/zinc/32/50/98/337325098.db2.gz DHTOCRUHOBXNOJ-DYVFJYSZSA-N 2 1 302.393 3.488 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000435381202 533744546 /nfs/dbraw/zinc/74/45/46/533744546.db2.gz VIMWHZQIRCJITK-KTFSGNIMSA-N 2 1 320.452 3.228 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000442770763 533843921 /nfs/dbraw/zinc/84/39/21/533843921.db2.gz QSRNLVRTXMPFPB-VXGBXAGGSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000442785771 533844819 /nfs/dbraw/zinc/84/48/19/533844819.db2.gz YHMAXGLQSBUGLK-HZPDHXFCSA-N 2 1 320.440 3.170 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C[C@H]1C[NH3+] ZINC000415122761 534042070 /nfs/dbraw/zinc/04/20/70/534042070.db2.gz IPKSXMQCRWSHGZ-VXGBXAGGSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C[C@H]1C[NH3+] ZINC000415122761 534042080 /nfs/dbraw/zinc/04/20/80/534042080.db2.gz IPKSXMQCRWSHGZ-VXGBXAGGSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1cccc(Br)c1 ZINC000415037947 534080214 /nfs/dbraw/zinc/08/02/14/534080214.db2.gz LOEHUNWJYSGZSH-SMDDNHRTSA-N 2 1 311.267 3.283 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000442755140 534080352 /nfs/dbraw/zinc/08/03/52/534080352.db2.gz BYHFSWVNBNRFKT-RDJZCZTQSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@]1(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC[NH2+]C1 ZINC000415098194 534176703 /nfs/dbraw/zinc/17/67/03/534176703.db2.gz DZXWDCDTZUQGBK-SFHVURJKSA-N 2 1 315.392 3.102 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CCn1cccn1 ZINC000157582251 519630820 /nfs/dbraw/zinc/63/08/20/519630820.db2.gz GLEMZXIFHSVPDR-KRWDZBQOSA-N 2 1 314.477 3.292 20 0 DGADMP c1ccc(CCCOc2cccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC000415045007 534487034 /nfs/dbraw/zinc/48/70/34/534487034.db2.gz VQBAGOZXMXTLCY-AERCQKQUSA-N 2 1 322.452 3.006 20 0 DGADMP c1ccc(CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000444590404 534488326 /nfs/dbraw/zinc/48/83/26/534488326.db2.gz ALHRTMMRCDPSHK-HXUWFJFHSA-N 2 1 316.489 3.196 20 0 DGADMP c1ccc(CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000444590404 534488336 /nfs/dbraw/zinc/48/83/36/534488336.db2.gz ALHRTMMRCDPSHK-HXUWFJFHSA-N 2 1 316.489 3.196 20 0 DGADMP c1ccc(N2CCC(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298138836 534492744 /nfs/dbraw/zinc/49/27/44/534492744.db2.gz QPAGKVKSJAFONW-UHFFFAOYSA-N 2 1 313.489 3.119 20 0 DGADMP CC[N@@H+](CCNC1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000156587550 521075727 /nfs/dbraw/zinc/07/57/27/521075727.db2.gz AAGIJFLYKLDLNX-UHFFFAOYSA-N 2 1 317.521 3.013 20 0 DGADMP CC(C)(C)C1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000459466864 534553323 /nfs/dbraw/zinc/55/33/23/534553323.db2.gz PEZMXYBHSITMAP-CTWPCTMYSA-N 2 1 316.489 3.168 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000443079343 534653821 /nfs/dbraw/zinc/65/38/21/534653821.db2.gz ZDQZKPJQJAXQAC-CYBMUJFWSA-N 2 1 303.381 3.042 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 ZINC000415064416 534678668 /nfs/dbraw/zinc/67/86/68/534678668.db2.gz KODGURXSYYJIMA-CYBMUJFWSA-N 2 1 302.340 3.034 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000157897885 526246902 /nfs/dbraw/zinc/24/69/02/526246902.db2.gz OMIVQAHGDKSHLQ-DOTOQJQBSA-N 2 1 304.482 3.042 20 0 DGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415039578 526879599 /nfs/dbraw/zinc/87/95/99/526879599.db2.gz JFAWVPGUYACXDN-UKRRQHHQSA-N 2 1 307.507 3.405 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415039578 526879604 /nfs/dbraw/zinc/87/96/04/526879604.db2.gz JFAWVPGUYACXDN-UKRRQHHQSA-N 2 1 307.507 3.405 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429685623 527835828 /nfs/dbraw/zinc/83/58/28/527835828.db2.gz XILSPNLNFQFBBM-OAHLLOKOSA-N 2 1 313.445 3.022 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429685623 527835830 /nfs/dbraw/zinc/83/58/30/527835830.db2.gz XILSPNLNFQFBBM-OAHLLOKOSA-N 2 1 313.445 3.022 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429685623 527835835 /nfs/dbraw/zinc/83/58/35/527835835.db2.gz XILSPNLNFQFBBM-OAHLLOKOSA-N 2 1 313.445 3.022 20 0 DGADMP CC(C)CCn1cccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432350930 527885671 /nfs/dbraw/zinc/88/56/71/527885671.db2.gz GSKGBQIMIDUMOJ-GOSISDBHSA-N 2 1 321.509 3.125 20 0 DGADMP CC(C)CCn1cccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432350930 527885680 /nfs/dbraw/zinc/88/56/80/527885680.db2.gz GSKGBQIMIDUMOJ-GOSISDBHSA-N 2 1 321.509 3.125 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000428513309 527997506 /nfs/dbraw/zinc/99/75/06/527997506.db2.gz WXEJMWQJKCGALG-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000428513309 527997509 /nfs/dbraw/zinc/99/75/09/527997509.db2.gz WXEJMWQJKCGALG-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000428513309 527997515 /nfs/dbraw/zinc/99/75/15/527997515.db2.gz WXEJMWQJKCGALG-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)c1ccc(CC[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000433027888 528088265 /nfs/dbraw/zinc/08/82/65/528088265.db2.gz NHYWBIFKCHDVMD-GOSISDBHSA-N 2 1 318.505 3.443 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433296610 528112666 /nfs/dbraw/zinc/11/26/66/528112666.db2.gz ITZGOWIELJWIDS-GOSISDBHSA-N 2 1 304.478 3.212 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000435390953 528233743 /nfs/dbraw/zinc/23/37/43/528233743.db2.gz UVRQZAUAIVWIPZ-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000435390953 528233747 /nfs/dbraw/zinc/23/37/47/528233747.db2.gz UVRQZAUAIVWIPZ-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC ZINC000415053843 528263348 /nfs/dbraw/zinc/26/33/48/528263348.db2.gz PEDLDOUFSQZHQQ-IRXDYDNUSA-N 2 1 318.461 3.058 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1O ZINC000314010634 528274952 /nfs/dbraw/zinc/27/49/52/528274952.db2.gz GHBGBFKOIKVQGU-HNNXBMFYSA-N 2 1 306.450 3.145 20 0 DGADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1O ZINC000314010634 528274959 /nfs/dbraw/zinc/27/49/59/528274959.db2.gz GHBGBFKOIKVQGU-HNNXBMFYSA-N 2 1 306.450 3.145 20 0 DGADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000433138988 528445029 /nfs/dbraw/zinc/44/50/29/528445029.db2.gz UYYJBSLYDKNXKQ-MAUKXSAKSA-N 2 1 317.477 3.230 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000415137763 528612496 /nfs/dbraw/zinc/61/24/96/528612496.db2.gz YKABMNMAVAAPEH-WBVHZDCISA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000415137763 528612500 /nfs/dbraw/zinc/61/25/00/528612500.db2.gz YKABMNMAVAAPEH-WBVHZDCISA-N 2 1 320.477 3.291 20 0 DGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000424320576 528695020 /nfs/dbraw/zinc/69/50/20/528695020.db2.gz ICPILKNJKDGUAL-CABCVRRESA-N 2 1 312.498 3.207 20 0 DGADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374615 528723338 /nfs/dbraw/zinc/72/33/38/528723338.db2.gz BCQWCYGJAYBUKQ-RDJZCZTQSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374615 528723343 /nfs/dbraw/zinc/72/33/43/528723343.db2.gz BCQWCYGJAYBUKQ-RDJZCZTQSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428374615 528723352 /nfs/dbraw/zinc/72/33/52/528723352.db2.gz BCQWCYGJAYBUKQ-RDJZCZTQSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428374615 528723360 /nfs/dbraw/zinc/72/33/60/528723360.db2.gz BCQWCYGJAYBUKQ-RDJZCZTQSA-N 2 1 317.477 3.384 20 0 DGADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422965533 528839125 /nfs/dbraw/zinc/83/91/25/528839125.db2.gz LIPVCIPBUCVOIG-HCXYKTFWSA-N 2 1 302.462 3.130 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1oc(CC)nc1C ZINC000428978849 528866005 /nfs/dbraw/zinc/86/60/05/528866005.db2.gz PXLQFMJPXPMCFX-UHFFFAOYSA-N 2 1 304.438 3.217 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1oc(CC)nc1C ZINC000428978849 528866010 /nfs/dbraw/zinc/86/60/10/528866010.db2.gz PXLQFMJPXPMCFX-UHFFFAOYSA-N 2 1 304.438 3.217 20 0 DGADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000294162241 529212672 /nfs/dbraw/zinc/21/26/72/529212672.db2.gz ILJFKIIMJNIIKS-QFBILLFUSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449073699 535003672 /nfs/dbraw/zinc/00/36/72/535003672.db2.gz NMJOVZMZIJFXLN-UHFFFAOYSA-N 2 1 318.440 3.046 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449073699 535003678 /nfs/dbraw/zinc/00/36/78/535003678.db2.gz NMJOVZMZIJFXLN-UHFFFAOYSA-N 2 1 318.440 3.046 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+](C)C ZINC000493917215 535109573 /nfs/dbraw/zinc/10/95/73/535109573.db2.gz PSXRSFYLNQMPCH-ZJPYXAASSA-N 2 1 308.510 3.290 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000459394359 535412019 /nfs/dbraw/zinc/41/20/19/535412019.db2.gz STYIHGXLVDACOW-CQSZACIVSA-N 2 1 318.461 3.371 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000449078295 535693968 /nfs/dbraw/zinc/69/39/68/535693968.db2.gz LSAARMJGGDKCAT-IPMKNSEASA-N 2 1 309.542 3.209 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000449636068 536007807 /nfs/dbraw/zinc/00/78/07/536007807.db2.gz CPRSYKICPMQTDD-HLKUOHOZSA-N 2 1 316.489 3.321 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449636102 536010967 /nfs/dbraw/zinc/01/09/67/536010967.db2.gz CVZQKZYHPKOBHM-FSGKZVOOSA-N 2 1 316.489 3.036 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000470015046 536122734 /nfs/dbraw/zinc/12/27/34/536122734.db2.gz JQNUIOPJCIXVGP-JKSUJKDBSA-N 2 1 321.484 3.349 20 0 DGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000470015046 536122740 /nfs/dbraw/zinc/12/27/40/536122740.db2.gz JQNUIOPJCIXVGP-JKSUJKDBSA-N 2 1 321.484 3.349 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449070491 536177771 /nfs/dbraw/zinc/17/77/71/536177771.db2.gz CWLGMNZOXKXVIS-UXHICEINSA-N 2 1 316.489 3.241 20 0 DGADMP Cc1occc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092438464 545846313 /nfs/dbraw/zinc/84/63/13/545846313.db2.gz QBJLTUJOUFZSAD-UHFFFAOYSA-N 2 1 302.418 3.160 20 0 DGADMP Cc1nc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000126536342 545922537 /nfs/dbraw/zinc/92/25/37/545922537.db2.gz LIFFTNLNADMOMJ-CYBMUJFWSA-N 2 1 319.474 3.243 20 0 DGADMP Cc1nc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cs1 ZINC000126566993 545922647 /nfs/dbraw/zinc/92/26/47/545922647.db2.gz QLHABOGFCAWXJX-CYBMUJFWSA-N 2 1 319.474 3.243 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156230648 546032279 /nfs/dbraw/zinc/03/22/79/546032279.db2.gz BMLRFWRNCWDNOF-MSOLQXFVSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000156230648 546032282 /nfs/dbraw/zinc/03/22/82/546032282.db2.gz BMLRFWRNCWDNOF-MSOLQXFVSA-N 2 1 317.521 3.217 20 0 DGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000181003970 546149791 /nfs/dbraw/zinc/14/97/91/546149791.db2.gz DPEQSNRMOSTYHI-ODIFPOPNSA-N 2 1 304.482 3.412 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000237675544 546287642 /nfs/dbraw/zinc/28/76/42/546287642.db2.gz QXOAXOAAFVMFAO-HNNXBMFYSA-N 2 1 315.461 3.129 20 0 DGADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279583210 546375789 /nfs/dbraw/zinc/37/57/89/546375789.db2.gz USSSXSDELYMQDP-GSEOLPGOSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176531 546385773 /nfs/dbraw/zinc/38/57/73/546385773.db2.gz IHIWDEISSVGYRC-HOTGVXAUSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176531 546385777 /nfs/dbraw/zinc/38/57/77/546385777.db2.gz IHIWDEISSVGYRC-HOTGVXAUSA-N 2 1 310.445 3.007 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281573511 546389236 /nfs/dbraw/zinc/38/92/36/546389236.db2.gz KPRPDEQGMLMCSO-MRXNPFEDSA-N 2 1 312.461 3.396 20 0 DGADMP Cc1cn2c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c(C)nc2s1 ZINC000315561085 546457125 /nfs/dbraw/zinc/45/71/25/546457125.db2.gz YJKUDOYNCNAVLX-UHFFFAOYSA-N 2 1 320.506 3.411 20 0 DGADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339068771 546532777 /nfs/dbraw/zinc/53/27/77/546532777.db2.gz PWEUYLGJUXEELX-UHOSZYNNSA-N 2 1 315.505 3.332 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1OC ZINC000347191537 546583391 /nfs/dbraw/zinc/58/33/91/546583391.db2.gz HMXSYIDKCMOXMG-WBVHZDCISA-N 2 1 305.466 3.080 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383922358 546742415 /nfs/dbraw/zinc/74/24/15/546742415.db2.gz RCNJTDDHZIEIBQ-UTKZUKDTSA-N 2 1 324.468 3.179 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)on2)cc1 ZINC000391842246 546759404 /nfs/dbraw/zinc/75/94/04/546759404.db2.gz YNDOJYLDURAJJD-LPHOPBHVSA-N 2 1 311.429 3.211 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccncn1 ZINC000395806494 546761630 /nfs/dbraw/zinc/76/16/30/546761630.db2.gz CMQROJJTJHOTBL-WOGUSJMUSA-N 2 1 322.456 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccncn1 ZINC000395806494 546761634 /nfs/dbraw/zinc/76/16/34/546761634.db2.gz CMQROJJTJHOTBL-WOGUSJMUSA-N 2 1 322.456 3.038 20 0 DGADMP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000401044937 546765348 /nfs/dbraw/zinc/76/53/48/546765348.db2.gz LRXSUEFPCPRHBL-UHFFFAOYSA-N 2 1 323.484 3.495 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)CC(C)C ZINC000417326223 546798970 /nfs/dbraw/zinc/79/89/70/546798970.db2.gz ASTNZYIVJAZAJS-FHWLQOOXSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)CC(C)C ZINC000417326223 546798975 /nfs/dbraw/zinc/79/89/75/546798975.db2.gz ASTNZYIVJAZAJS-FHWLQOOXSA-N 2 1 304.478 3.473 20 0 DGADMP C[NH+](C)CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000419677927 546804522 /nfs/dbraw/zinc/80/45/22/546804522.db2.gz DAWYHXBLUPGUKJ-UHFFFAOYSA-N 3 1 321.553 3.495 20 0 DGADMP Cc1cc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)n1 ZINC000436438734 546823469 /nfs/dbraw/zinc/82/34/69/546823469.db2.gz YKJJFYXLTJDSMT-JKSUJKDBSA-N 2 1 310.445 3.193 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000453221491 546858192 /nfs/dbraw/zinc/85/81/92/546858192.db2.gz KEKMPUVTAOHWSE-QZTJIDSGSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000453221491 546858196 /nfs/dbraw/zinc/85/81/96/546858196.db2.gz KEKMPUVTAOHWSE-QZTJIDSGSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453312390 546858720 /nfs/dbraw/zinc/85/87/20/546858720.db2.gz QRLWQBLHDTYITR-ICSRJNTNSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453312390 546858722 /nfs/dbraw/zinc/85/87/22/546858722.db2.gz QRLWQBLHDTYITR-ICSRJNTNSA-N 2 1 309.457 3.358 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453340237 546860518 /nfs/dbraw/zinc/86/05/18/546860518.db2.gz BRELCWDHRYTMPP-QZHFEQFPSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453340237 546860523 /nfs/dbraw/zinc/86/05/23/546860523.db2.gz BRELCWDHRYTMPP-QZHFEQFPSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486980715 546915121 /nfs/dbraw/zinc/91/51/21/546915121.db2.gz OGCHJTFHTADLQY-OKILXGFUSA-N 2 1 307.507 3.478 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486980715 546915130 /nfs/dbraw/zinc/91/51/30/546915130.db2.gz OGCHJTFHTADLQY-OKILXGFUSA-N 2 1 307.507 3.478 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000517580682 546959612 /nfs/dbraw/zinc/95/96/12/546959612.db2.gz FHYBVXFYGYUJJS-BQFCYCMXSA-N 2 1 312.461 3.361 20 0 DGADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667443 547267742 /nfs/dbraw/zinc/26/77/42/547267742.db2.gz NAUCSGGMMAADCZ-HIFRSBDPSA-N 2 1 306.425 3.281 20 0 DGADMP Cc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C ZINC000667688272 547274575 /nfs/dbraw/zinc/27/45/75/547274575.db2.gz LJCRCIWQCPDWSQ-MRXNPFEDSA-N 3 1 318.509 3.205 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709074 547283283 /nfs/dbraw/zinc/28/32/83/547283283.db2.gz SKGHHZGESZENET-MAUKXSAKSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000667709074 547283291 /nfs/dbraw/zinc/28/32/91/547283291.db2.gz SKGHHZGESZENET-MAUKXSAKSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667709074 547283296 /nfs/dbraw/zinc/28/32/96/547283296.db2.gz SKGHHZGESZENET-MAUKXSAKSA-N 2 1 320.502 3.343 20 0 DGADMP COCc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667709074 547283302 /nfs/dbraw/zinc/28/33/02/547283302.db2.gz SKGHHZGESZENET-MAUKXSAKSA-N 2 1 320.502 3.343 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801537 547306707 /nfs/dbraw/zinc/30/67/07/547306707.db2.gz LWSDCLJITLZZRQ-GEALJGNFSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)c2)CCO1 ZINC000667801537 547306709 /nfs/dbraw/zinc/30/67/09/547306709.db2.gz LWSDCLJITLZZRQ-GEALJGNFSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CO[C@H](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000667892321 547327886 /nfs/dbraw/zinc/32/78/86/547327886.db2.gz MQWGKEWGTFTDRF-MNEFBYGVSA-N 2 1 302.462 3.054 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000668172404 547403380 /nfs/dbraw/zinc/40/33/80/547403380.db2.gz MZJXTHNRCSABGD-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1 ZINC000668172404 547403382 /nfs/dbraw/zinc/40/33/82/547403382.db2.gz MZJXTHNRCSABGD-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1 ZINC000668172404 547403384 /nfs/dbraw/zinc/40/33/84/547403384.db2.gz MZJXTHNRCSABGD-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCC3CCCCC3)cc2)C1 ZINC000668490172 547468355 /nfs/dbraw/zinc/46/83/55/547468355.db2.gz SBZXKSUHIKFTHM-HXUWFJFHSA-N 2 1 316.489 3.313 20 0 DGADMP C[C@H](CC1CCCCC1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668738201 547527232 /nfs/dbraw/zinc/52/72/32/547527232.db2.gz CCGPLHFFZHAJTE-VQIMIIECSA-N 2 1 308.510 3.124 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000669613507 547661192 /nfs/dbraw/zinc/66/11/92/547661192.db2.gz OGBNJQGCNVGPBU-RKVPGOIHSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741861 547821968 /nfs/dbraw/zinc/82/19/68/547821968.db2.gz DOWJNMNVPWFBDH-LBPRGKRZSA-N 2 1 315.417 3.058 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739706 547822363 /nfs/dbraw/zinc/82/23/63/547822363.db2.gz ZIWNUFLANLRHKR-CQSZACIVSA-N 2 1 317.433 3.306 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744201 547823453 /nfs/dbraw/zinc/82/34/53/547823453.db2.gz VXJLXSJNQNNTBF-GFCCVEGCSA-N 2 1 315.417 3.201 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000674335156 548063453 /nfs/dbraw/zinc/06/34/53/548063453.db2.gz JBTUYEDHCJNNTD-UHFFFAOYSA-N 2 1 314.477 3.411 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489295 548224124 /nfs/dbraw/zinc/22/41/24/548224124.db2.gz LGLUTOKRCZSJLX-HXUWFJFHSA-N 3 1 321.553 3.449 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489295 548224127 /nfs/dbraw/zinc/22/41/27/548224127.db2.gz LGLUTOKRCZSJLX-HXUWFJFHSA-N 2 1 321.553 3.449 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489295 548224131 /nfs/dbraw/zinc/22/41/31/548224131.db2.gz LGLUTOKRCZSJLX-HXUWFJFHSA-N 2 1 321.553 3.449 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000675497764 548226713 /nfs/dbraw/zinc/22/67/13/548226713.db2.gz PRHOWAVENAGICN-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000675497764 548226717 /nfs/dbraw/zinc/22/67/17/548226717.db2.gz PRHOWAVENAGICN-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000675497764 548226720 /nfs/dbraw/zinc/22/67/20/548226720.db2.gz PRHOWAVENAGICN-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882951 548284949 /nfs/dbraw/zinc/28/49/49/548284949.db2.gz VSAXDAUOIHCWAU-PKOBYXMFSA-N 2 1 318.436 3.046 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000675982457 548300987 /nfs/dbraw/zinc/30/09/87/548300987.db2.gz AGZVEMKQLWHYOG-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000675982457 548300990 /nfs/dbraw/zinc/30/09/90/548300990.db2.gz AGZVEMKQLWHYOG-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000675982457 548300995 /nfs/dbraw/zinc/30/09/95/548300995.db2.gz AGZVEMKQLWHYOG-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677132456 548457586 /nfs/dbraw/zinc/45/75/86/548457586.db2.gz ZIZOXQKFVGSSNK-APPDUMDISA-N 2 1 305.372 3.383 20 0 DGADMP COc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1OC ZINC000678074073 548607316 /nfs/dbraw/zinc/60/73/16/548607316.db2.gz QVRCKAIBKCNCJK-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1OC ZINC000678074073 548607320 /nfs/dbraw/zinc/60/73/20/548607320.db2.gz QVRCKAIBKCNCJK-UHFFFAOYSA-N 2 1 317.433 3.121 20 0 DGADMP COCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000678155567 548628901 /nfs/dbraw/zinc/62/89/01/548628901.db2.gz VQEBCUUOIIZYQI-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP Cc1ncc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000678192346 548635168 /nfs/dbraw/zinc/63/51/68/548635168.db2.gz BLDXUMLAMFSTCA-UHFFFAOYSA-N 2 1 319.474 3.024 20 0 DGADMP Cc1ncc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000678192346 548635173 /nfs/dbraw/zinc/63/51/73/548635173.db2.gz BLDXUMLAMFSTCA-UHFFFAOYSA-N 2 1 319.474 3.024 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCOc2ccccc21 ZINC000678279698 548668413 /nfs/dbraw/zinc/66/84/13/548668413.db2.gz ZSAFXQTXDXWAPW-DLBZAZTESA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCOc2ccccc21 ZINC000678279698 548668419 /nfs/dbraw/zinc/66/84/19/548668419.db2.gz ZSAFXQTXDXWAPW-DLBZAZTESA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCOc2ccccc21 ZINC000678279698 548668422 /nfs/dbraw/zinc/66/84/22/548668422.db2.gz ZSAFXQTXDXWAPW-DLBZAZTESA-N 2 1 302.462 3.359 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000678285420 548671065 /nfs/dbraw/zinc/67/10/65/548671065.db2.gz BFXKFPOEMIMNLY-MSOLQXFVSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000678285420 548671068 /nfs/dbraw/zinc/67/10/68/548671068.db2.gz BFXKFPOEMIMNLY-MSOLQXFVSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000678285420 548671071 /nfs/dbraw/zinc/67/10/71/548671071.db2.gz BFXKFPOEMIMNLY-MSOLQXFVSA-N 2 1 314.473 3.216 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000679336363 548881021 /nfs/dbraw/zinc/88/10/21/548881021.db2.gz MRUJMCUGFNKBCE-MAUKXSAKSA-N 2 1 312.461 3.281 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000680328222 549028371 /nfs/dbraw/zinc/02/83/71/549028371.db2.gz BOKZNGQONUODSI-OAHLLOKOSA-N 2 1 308.385 3.158 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680352725 549037415 /nfs/dbraw/zinc/03/74/15/549037415.db2.gz SCEZYGGBSVMEOG-ZGXWSNOMSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401061 549048201 /nfs/dbraw/zinc/04/82/01/549048201.db2.gz BZGZKWLOLSNRIC-UONOGXRCSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401061 549048203 /nfs/dbraw/zinc/04/82/03/549048203.db2.gz BZGZKWLOLSNRIC-UONOGXRCSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000681390445 549201229 /nfs/dbraw/zinc/20/12/29/549201229.db2.gz VCQDJVIWYQHNJD-ZFWWWQNUSA-N 2 1 322.415 3.341 20 0 DGADMP C[NH+](C)C1(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000682088594 549289492 /nfs/dbraw/zinc/28/94/92/549289492.db2.gz WTAZWICSUZWQMC-GOSISDBHSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+](C)C1(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000682088594 549289497 /nfs/dbraw/zinc/28/94/97/549289497.db2.gz WTAZWICSUZWQMC-GOSISDBHSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ncccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683779688 549535491 /nfs/dbraw/zinc/53/54/91/549535491.db2.gz MQQIXLPEKCLDDD-UHFFFAOYSA-N 2 1 317.477 3.178 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000685421686 549756791 /nfs/dbraw/zinc/75/67/91/549756791.db2.gz AEJNKBOQSQIVLU-JFIYKMOQSA-N 2 1 303.494 3.279 20 0 DGADMP C[N@@H+](C[C@H]1CCOc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443802 549761918 /nfs/dbraw/zinc/76/19/18/549761918.db2.gz GJZDKQJGYWBNPC-VPSFDDGASA-N 2 1 300.446 3.110 20 0 DGADMP C[N@@H+](CCCC1CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457382 549763257 /nfs/dbraw/zinc/76/32/57/549763257.db2.gz YMTNXPWCNAGQEO-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000685470877 549767420 /nfs/dbraw/zinc/76/74/20/549767420.db2.gz ZKBARJNOZRNGIM-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000685470877 549767422 /nfs/dbraw/zinc/76/74/22/549767422.db2.gz ZKBARJNOZRNGIM-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000685470877 549767425 /nfs/dbraw/zinc/76/74/25/549767425.db2.gz ZKBARJNOZRNGIM-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685471073 549767918 /nfs/dbraw/zinc/76/79/18/549767918.db2.gz GEOKDIBVBNABBV-JJEILDCCSA-N 2 1 300.446 3.125 20 0 DGADMP COc1ccccc1/C=C\C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000685471073 549767920 /nfs/dbraw/zinc/76/79/20/549767920.db2.gz GEOKDIBVBNABBV-JJEILDCCSA-N 2 1 300.446 3.125 20 0 DGADMP COc1ccccc1/C=C\C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685471073 549767922 /nfs/dbraw/zinc/76/79/22/549767922.db2.gz GEOKDIBVBNABBV-JJEILDCCSA-N 2 1 300.446 3.125 20 0 DGADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375746 574994074 /nfs/dbraw/zinc/99/40/74/574994074.db2.gz VVFSBNQCMQCIDR-QMTHXVAHSA-N 2 1 318.490 3.189 20 0 DGADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000742375746 574994075 /nfs/dbraw/zinc/99/40/75/574994075.db2.gz VVFSBNQCMQCIDR-QMTHXVAHSA-N 2 1 318.490 3.189 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC[N@H+]1C ZINC000742375837 574993872 /nfs/dbraw/zinc/99/38/72/574993872.db2.gz WHFIOBKRFKWZPZ-PBHICJAKSA-N 2 1 302.462 3.363 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000743851043 575065175 /nfs/dbraw/zinc/06/51/75/575065175.db2.gz IAOTYZWKWLWYLX-WOJBJXKFSA-N 2 1 316.489 3.287 20 0 DGADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000743851043 575065177 /nfs/dbraw/zinc/06/51/77/575065177.db2.gz IAOTYZWKWLWYLX-WOJBJXKFSA-N 2 1 316.489 3.287 20 0 DGADMP C[N@@H+](CCCNC(=O)CCCC[NH+]1CCCC1)C1CCCCC1 ZINC000729312346 575233563 /nfs/dbraw/zinc/23/35/63/575233563.db2.gz XCKYYAYDXAJZBP-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000747531296 575523634 /nfs/dbraw/zinc/52/36/34/575523634.db2.gz HRZURTXNFPOQKG-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000747531296 575523635 /nfs/dbraw/zinc/52/36/35/575523635.db2.gz HRZURTXNFPOQKG-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000747531296 575523636 /nfs/dbraw/zinc/52/36/36/575523636.db2.gz HRZURTXNFPOQKG-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000747531296 575523637 /nfs/dbraw/zinc/52/36/37/575523637.db2.gz HRZURTXNFPOQKG-GOSISDBHSA-N 2 1 302.462 3.038 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000747532056 575523826 /nfs/dbraw/zinc/52/38/26/575523826.db2.gz HNKSTXIHWQEELY-DAYGRLMNSA-N 2 1 324.896 3.221 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000747532056 575523829 /nfs/dbraw/zinc/52/38/29/575523829.db2.gz HNKSTXIHWQEELY-DAYGRLMNSA-N 2 1 324.896 3.221 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806130110 617663805 /nfs/dbraw/zinc/66/38/05/617663805.db2.gz PRFUDIUCIJKECC-OAHLLOKOSA-N 2 1 307.869 3.432 20 0 DGADMP C[C@H]([NH2+]CC1(Br)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853637 617779953 /nfs/dbraw/zinc/77/99/53/617779953.db2.gz GGYWCVCLWKAPPK-STQMWFEESA-N 2 1 315.299 3.157 20 0 DGADMP C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000926197370 617843578 /nfs/dbraw/zinc/84/35/78/617843578.db2.gz PNTRJWPMVKCIFU-WMLDXEAASA-N 2 1 302.418 3.116 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892134195 617971264 /nfs/dbraw/zinc/97/12/64/617971264.db2.gz XLDFCZSIRDAXPX-MRXNPFEDSA-N 2 1 301.478 3.124 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nccc3c2CCCC3)C1 ZINC000892134195 617971267 /nfs/dbraw/zinc/97/12/67/617971267.db2.gz XLDFCZSIRDAXPX-MRXNPFEDSA-N 2 1 301.478 3.124 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892134195 617971270 /nfs/dbraw/zinc/97/12/70/617971270.db2.gz XLDFCZSIRDAXPX-MRXNPFEDSA-N 2 1 301.478 3.124 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892134195 617971278 /nfs/dbraw/zinc/97/12/78/617971278.db2.gz XLDFCZSIRDAXPX-MRXNPFEDSA-N 2 1 301.478 3.124 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142967 617974314 /nfs/dbraw/zinc/97/43/14/617974314.db2.gz HYAXCILXJHURJJ-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142967 617974318 /nfs/dbraw/zinc/97/43/18/617974318.db2.gz HYAXCILXJHURJJ-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142967 617974319 /nfs/dbraw/zinc/97/43/19/617974319.db2.gz HYAXCILXJHURJJ-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142967 617974322 /nfs/dbraw/zinc/97/43/22/617974322.db2.gz HYAXCILXJHURJJ-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000926503709 618034633 /nfs/dbraw/zinc/03/46/33/618034633.db2.gz NTFNXZBOTKVCIM-HCXYKTFWSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C(C)(C)O)cc1 ZINC000926558128 618048531 /nfs/dbraw/zinc/04/85/31/618048531.db2.gz FYOJJIWTTVQBPE-OAHLLOKOSA-N 2 1 304.478 3.439 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926574090 618051731 /nfs/dbraw/zinc/05/17/31/618051731.db2.gz UNSFJHXQHOHFOC-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP Cn1ncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1C1CC1 ZINC000892451139 618070088 /nfs/dbraw/zinc/07/00/88/618070088.db2.gz OTGOFELTEDZUBT-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1ncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1C1CC1 ZINC000892451139 618070092 /nfs/dbraw/zinc/07/00/92/618070092.db2.gz OTGOFELTEDZUBT-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP c1cn(C2CC2)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000892462336 618071473 /nfs/dbraw/zinc/07/14/73/618071473.db2.gz NXXKYCQOUCCZQH-UHFFFAOYSA-N 2 1 310.445 3.104 20 0 DGADMP C[N@@H+](CCCNCc1cn2ccnc2s1)Cc1ccccc1 ZINC000892461364 618071645 /nfs/dbraw/zinc/07/16/45/618071645.db2.gz BJHQKRNMZBNZJE-UHFFFAOYSA-N 2 1 314.458 3.008 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1cn2ccnc2s1)Cc1ccccc1 ZINC000892461364 618071649 /nfs/dbraw/zinc/07/16/49/618071649.db2.gz BJHQKRNMZBNZJE-UHFFFAOYSA-N 2 1 314.458 3.008 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cn2ccnc2s1)Cc1ccccc1 ZINC000892461364 618071652 /nfs/dbraw/zinc/07/16/52/618071652.db2.gz BJHQKRNMZBNZJE-UHFFFAOYSA-N 2 1 314.458 3.008 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000892510356 618090077 /nfs/dbraw/zinc/09/00/77/618090077.db2.gz LCYVPOGWLVERQH-CYBMUJFWSA-N 2 1 303.454 3.012 20 0 DGADMP COC(=O)c1sccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000892585171 618113292 /nfs/dbraw/zinc/11/32/92/618113292.db2.gz QRGLKRBBMXRYHY-AWEZNQCLSA-N 2 1 324.490 3.279 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNCc2cnc(CC(F)(F)F)s2)C1 ZINC000894455899 618339750 /nfs/dbraw/zinc/33/97/50/618339750.db2.gz NJPFTYWMRBJOJS-NSHDSACASA-N 2 1 321.412 3.068 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894455899 618339759 /nfs/dbraw/zinc/33/97/59/618339759.db2.gz NJPFTYWMRBJOJS-NSHDSACASA-N 2 1 321.412 3.068 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894455899 618339763 /nfs/dbraw/zinc/33/97/63/618339763.db2.gz NJPFTYWMRBJOJS-NSHDSACASA-N 2 1 321.412 3.068 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccnn2C2CCC2)cc1 ZINC000894456049 618339957 /nfs/dbraw/zinc/33/99/57/618339957.db2.gz JRAXEKGLTUBOIO-UHFFFAOYSA-N 2 1 312.461 3.302 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccnn2C2CCC2)cc1 ZINC000894456049 618339962 /nfs/dbraw/zinc/33/99/62/618339962.db2.gz JRAXEKGLTUBOIO-UHFFFAOYSA-N 2 1 312.461 3.302 20 0 DGADMP C[N@H+]1CC[C@H](Nc2cc(N)[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000893009115 618387601 /nfs/dbraw/zinc/38/76/01/618387601.db2.gz PPPCOLCXQGSLJX-XJKSGUPXSA-N 2 1 302.809 3.175 20 0 DGADMP CN(Cc1ccccc1OCC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748543 618443688 /nfs/dbraw/zinc/44/36/88/618443688.db2.gz OHZXZKHWIJYEFJ-XYPWUTKMSA-N 2 1 324.415 3.388 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925517825 618454226 /nfs/dbraw/zinc/45/42/26/618454226.db2.gz CFBFZPNWOINNHB-SFHVURJKSA-N 3 1 300.450 3.042 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000894940040 618502270 /nfs/dbraw/zinc/50/22/70/618502270.db2.gz QGXHREZXUUTGPJ-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2ccccc2)[C@H](C)N)CC1 ZINC000925723307 618556821 /nfs/dbraw/zinc/55/68/21/618556821.db2.gz URNQZRXKBITFIS-QFBILLFUSA-N 2 1 303.494 3.175 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnc1F ZINC000893489591 618570956 /nfs/dbraw/zinc/57/09/56/618570956.db2.gz ZTPBREFLAPWUKW-HOCLYGCPSA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnc1F ZINC000893489591 618570960 /nfs/dbraw/zinc/57/09/60/618570960.db2.gz ZTPBREFLAPWUKW-HOCLYGCPSA-N 2 1 305.441 3.272 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCS2 ZINC000925781425 618618240 /nfs/dbraw/zinc/61/82/40/618618240.db2.gz YMWPCWNVUNKMKA-GWCFXTLKSA-N 2 1 316.392 3.197 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043271 618698883 /nfs/dbraw/zinc/69/88/83/618698883.db2.gz FSSBCQDMYFRUIQ-QAPCUYQASA-N 2 1 301.478 3.349 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043271 618698887 /nfs/dbraw/zinc/69/88/87/618698887.db2.gz FSSBCQDMYFRUIQ-QAPCUYQASA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043271 618698889 /nfs/dbraw/zinc/69/88/89/618698889.db2.gz FSSBCQDMYFRUIQ-QAPCUYQASA-N 2 1 301.478 3.349 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2NCCC3)C[C@H]1C ZINC000894043271 618698892 /nfs/dbraw/zinc/69/88/92/618698892.db2.gz FSSBCQDMYFRUIQ-QAPCUYQASA-N 2 1 301.478 3.349 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2[nH]nc(C)c2C)CC1)CC1CC1 ZINC000894138161 618718556 /nfs/dbraw/zinc/71/85/56/618718556.db2.gz YLQMJJAIWZDVEV-UHFFFAOYSA-N 2 1 318.509 3.361 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924954944 618748744 /nfs/dbraw/zinc/74/87/44/618748744.db2.gz YILHXZGYVSWXOW-KGLIPLIRSA-N 2 1 301.438 3.100 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000924958384 618749421 /nfs/dbraw/zinc/74/94/21/618749421.db2.gz JSLCSQNPXREASY-PMACEKPBSA-N 2 1 316.489 3.433 20 0 DGADMP CCC1(C[NH2+]Cc2c[nH]cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000894364509 618772531 /nfs/dbraw/zinc/77/25/31/618772531.db2.gz NVIBYYZAKJRILO-UHFFFAOYSA-N 2 1 312.461 3.192 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000894376307 618774186 /nfs/dbraw/zinc/77/41/86/618774186.db2.gz RQNOWJZXFSKDRG-UHFFFAOYSA-N 2 1 305.510 3.027 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000895380025 618775966 /nfs/dbraw/zinc/77/59/66/618775966.db2.gz NRRMTLAPWNLECM-WMLDXEAASA-N 2 1 301.434 3.380 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc2cnccc2o1 ZINC000895380025 618775967 /nfs/dbraw/zinc/77/59/67/618775967.db2.gz NRRMTLAPWNLECM-WMLDXEAASA-N 2 1 301.434 3.380 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000895378955 618776088 /nfs/dbraw/zinc/77/60/88/618776088.db2.gz KFOGAWVCSXAFHI-BEFAXECRSA-N 2 1 312.461 3.182 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCN1c1cc[nH+]cc1 ZINC000895558701 618799106 /nfs/dbraw/zinc/79/91/06/618799106.db2.gz ZMEJPKUWNVMJSN-HNNXBMFYSA-N 2 1 306.413 3.274 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000895682146 618817893 /nfs/dbraw/zinc/81/78/93/618817893.db2.gz BNASWVHUKGYUKP-UHFFFAOYSA-N 2 1 316.449 3.368 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683127 618818617 /nfs/dbraw/zinc/81/86/17/618818617.db2.gz IGWAKROGYOZBBG-UHFFFAOYSA-N 2 1 306.498 3.470 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](CC[NH+](C)C)c3cccnc3)c12 ZINC000895889159 618845913 /nfs/dbraw/zinc/84/59/13/618845913.db2.gz LHWFFDUBWKLVDA-HNNXBMFYSA-N 2 1 324.432 3.020 20 0 DGADMP C[NH+]1CCC(C[N@H+]2Cc3ccccc3OC3(CCC3)C2)CC1 ZINC000896071457 618870302 /nfs/dbraw/zinc/87/03/02/618870302.db2.gz NXKLPXHJINRFFV-UHFFFAOYSA-N 2 1 300.446 3.146 20 0 DGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)cc2C)C1 ZINC000909596184 619043583 /nfs/dbraw/zinc/04/35/83/619043583.db2.gz LCFVEIJHIGZFMW-KRWDZBQOSA-N 2 1 317.477 3.117 20 0 DGADMP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925221210 619079628 /nfs/dbraw/zinc/07/96/28/619079628.db2.gz KWFWDZUPTCVLPE-KFKAGJAMSA-N 2 1 303.494 3.272 20 0 DGADMP FC1(F)CC[C@@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000898015185 619206103 /nfs/dbraw/zinc/20/61/03/619206103.db2.gz WDKXJLBDNJXUHA-GOEBONIOSA-N 2 1 316.436 3.045 20 0 DGADMP CC1(C)CC[N@@H+](CCNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000898035077 619208290 /nfs/dbraw/zinc/20/82/90/619208290.db2.gz JMHJFVRTGPGFGB-UHFFFAOYSA-N 2 1 307.526 3.105 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898307599 619235851 /nfs/dbraw/zinc/23/58/51/619235851.db2.gz DQGSKPAQZDTFBA-UHFFFAOYSA-N 2 1 308.466 3.079 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898307599 619235852 /nfs/dbraw/zinc/23/58/52/619235852.db2.gz DQGSKPAQZDTFBA-UHFFFAOYSA-N 2 1 308.466 3.079 20 0 DGADMP CCO[C@@H](C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)C[NH+](C)C ZINC000926957355 619252248 /nfs/dbraw/zinc/25/22/48/619252248.db2.gz AFAOAWBJVZWCDE-RDJZCZTQSA-N 2 1 317.477 3.045 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683156 619256835 /nfs/dbraw/zinc/25/68/35/619256835.db2.gz ZHXPYWNYIKSIFY-BMGDILEWSA-N 2 1 302.462 3.191 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683156 619256836 /nfs/dbraw/zinc/25/68/36/619256836.db2.gz ZHXPYWNYIKSIFY-BMGDILEWSA-N 2 1 302.462 3.191 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(Br)CC1 ZINC000924688717 619257467 /nfs/dbraw/zinc/25/74/67/619257467.db2.gz VISPASIMNONNRI-KGLIPLIRSA-N 2 1 317.315 3.404 20 0 DGADMP c1nc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000898520386 619284103 /nfs/dbraw/zinc/28/41/03/619284103.db2.gz XJEXCVCYLYCRSH-SQNIBIBYSA-N 2 1 311.429 3.065 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751433 619316260 /nfs/dbraw/zinc/31/62/60/619316260.db2.gz KPYHBDBVOZUFMU-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751433 619316261 /nfs/dbraw/zinc/31/62/61/619316261.db2.gz KPYHBDBVOZUFMU-CZUORRHYSA-N 2 1 307.869 3.434 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900953633 619461175 /nfs/dbraw/zinc/46/11/75/619461175.db2.gz BWVSNCFZPZMZJJ-FUHWJXTLSA-N 2 1 315.461 3.012 20 0 DGADMP CC(C)[N@@H+](C)CCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902345021 619619364 /nfs/dbraw/zinc/61/93/64/619619364.db2.gz IXOZIYBQKXJASI-KRWDZBQOSA-N 2 1 313.436 3.065 20 0 DGADMP CC(C)N(C)CC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902345021 619619365 /nfs/dbraw/zinc/61/93/65/619619365.db2.gz IXOZIYBQKXJASI-KRWDZBQOSA-N 2 1 313.436 3.065 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000902400517 619631949 /nfs/dbraw/zinc/63/19/49/619631949.db2.gz RSWUXQVALVEIJF-ZDUSSCGKSA-N 2 1 316.367 3.295 20 0 DGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902417571 619632516 /nfs/dbraw/zinc/63/25/16/619632516.db2.gz TWENRELJWLVVAB-INIZCTEOSA-N 2 1 302.462 3.434 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000902415520 619632664 /nfs/dbraw/zinc/63/26/64/619632664.db2.gz HGOFHCDNGCIPKX-CYBMUJFWSA-N 2 1 317.433 3.408 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902818119 619678834 /nfs/dbraw/zinc/67/88/34/619678834.db2.gz JVYFIOFWEVSRPC-MAUKXSAKSA-N 2 1 313.445 3.201 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1COc2ccccc2C1 ZINC000903016090 619701758 /nfs/dbraw/zinc/70/17/58/619701758.db2.gz IMBSRUJLTJOAKF-DOTOQJQBSA-N 2 1 302.462 3.090 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1COc2ccccc2C1 ZINC000903016095 619701953 /nfs/dbraw/zinc/70/19/53/619701953.db2.gz IMBSRUJLTJOAKF-WBVHZDCISA-N 2 1 302.462 3.090 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903018000 619702297 /nfs/dbraw/zinc/70/22/97/619702297.db2.gz VJUDPBYQJZBSFW-BHIYHBOVSA-N 2 1 308.510 3.293 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903060470 619708254 /nfs/dbraw/zinc/70/82/54/619708254.db2.gz ZKRPBNMJLDSSNT-IBGZPJMESA-N 2 1 320.452 3.367 20 0 DGADMP C[C@H]1CCCC[C@@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074923 619711311 /nfs/dbraw/zinc/71/13/11/619711311.db2.gz PTXRPWUXYIFWBE-PQCNYSFFSA-N 2 1 306.494 3.329 20 0 DGADMP C[C@H](COc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075503 619711873 /nfs/dbraw/zinc/71/18/73/619711873.db2.gz XEDJOGZVIWMNDM-PNFOFYCQSA-N 2 1 318.436 3.340 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091145 619714456 /nfs/dbraw/zinc/71/44/56/619714456.db2.gz OCOBXFOPSDZCBE-SJLPKXTDSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091145 619714457 /nfs/dbraw/zinc/71/44/57/619714457.db2.gz OCOBXFOPSDZCBE-SJLPKXTDSA-N 2 1 318.509 3.454 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903091103 619714693 /nfs/dbraw/zinc/71/46/93/619714693.db2.gz NGZIOMDGOQQSFH-QZNYNHHHSA-N 2 1 319.537 3.388 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903091103 619714694 /nfs/dbraw/zinc/71/46/94/619714694.db2.gz NGZIOMDGOQQSFH-QZNYNHHHSA-N 2 1 319.537 3.388 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091103 619714697 /nfs/dbraw/zinc/71/46/97/619714697.db2.gz NGZIOMDGOQQSFH-QZNYNHHHSA-N 2 1 319.537 3.388 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903069537 619715111 /nfs/dbraw/zinc/71/51/11/619715111.db2.gz XRKHDYPNEWPKJB-FQVATPOOSA-N 3 1 319.537 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903069537 619715113 /nfs/dbraw/zinc/71/51/13/619715113.db2.gz XRKHDYPNEWPKJB-FQVATPOOSA-N 3 1 319.537 3.388 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903069537 619715114 /nfs/dbraw/zinc/71/51/14/619715114.db2.gz XRKHDYPNEWPKJB-FQVATPOOSA-N 3 1 319.537 3.388 20 0 DGADMP OCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCC1 ZINC000903109975 619718318 /nfs/dbraw/zinc/71/83/18/619718318.db2.gz KBTORNPKRHMVHS-ZNXRZULTSA-N 2 1 306.494 3.067 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000903110251 619718362 /nfs/dbraw/zinc/71/83/62/619718362.db2.gz BXPNFYJJGPIAOK-KRFUXDQASA-N 2 1 316.489 3.300 20 0 DGADMP COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903120491 619721311 /nfs/dbraw/zinc/72/13/11/619721311.db2.gz OZXWSFPWLTURNV-ZCTYVAAUSA-N 2 1 300.446 3.122 20 0 DGADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903120491 619721312 /nfs/dbraw/zinc/72/13/12/619721312.db2.gz OZXWSFPWLTURNV-ZCTYVAAUSA-N 2 1 300.446 3.122 20 0 DGADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903120491 619721314 /nfs/dbraw/zinc/72/13/14/619721314.db2.gz OZXWSFPWLTURNV-ZCTYVAAUSA-N 2 1 300.446 3.122 20 0 DGADMP CC(C)C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000903142022 619724883 /nfs/dbraw/zinc/72/48/83/619724883.db2.gz XBKAGPRVXSOLEJ-DBKFYXDTSA-N 2 1 306.494 3.328 20 0 DGADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151677 619729584 /nfs/dbraw/zinc/72/95/84/619729584.db2.gz HOVHDQBXICDDPG-FWCIAMDOSA-N 2 1 306.494 3.328 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000903185915 619731068 /nfs/dbraw/zinc/73/10/68/619731068.db2.gz HTNZGPSBFPFHOW-RIJRJKGBSA-N 2 1 316.445 3.026 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265417 619744641 /nfs/dbraw/zinc/74/46/41/619744641.db2.gz ZFYPBLBUKLGNNL-OBZTUIKSSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903265417 619744643 /nfs/dbraw/zinc/74/46/43/619744643.db2.gz ZFYPBLBUKLGNNL-OBZTUIKSSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1COC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000903393504 619767101 /nfs/dbraw/zinc/76/71/01/619767101.db2.gz OBRBUDPWNWCWRC-HJZRJOMTSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457729 619776894 /nfs/dbraw/zinc/77/68/94/619776894.db2.gz ZUAYFRWFBSUPKJ-OMNBBPDLSA-N 2 1 308.853 3.229 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1Br)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903458868 619776983 /nfs/dbraw/zinc/77/69/83/619776983.db2.gz LZEFNLSAYHFNLP-MFKMUULPSA-N 2 1 315.230 3.147 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903453625 619779349 /nfs/dbraw/zinc/77/93/49/619779349.db2.gz FHJDLXYJRAUIBS-OWSLCNJRSA-N 2 1 320.427 3.357 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903453762 619779405 /nfs/dbraw/zinc/77/94/05/619779405.db2.gz KUCNAXLEOPJCIG-XDNAFOTISA-N 2 1 320.427 3.499 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ncc[nH]1 ZINC000903455644 619779681 /nfs/dbraw/zinc/77/96/81/619779681.db2.gz OGIWJQZEVGBDPA-NQYYFHDYSA-N 2 1 324.472 3.361 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000903482315 619781038 /nfs/dbraw/zinc/78/10/38/619781038.db2.gz BKVCNCGOUQEXPC-CGTJXYLNSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC000903482315 619781041 /nfs/dbraw/zinc/78/10/41/619781041.db2.gz BKVCNCGOUQEXPC-CGTJXYLNSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC000903482315 619781042 /nfs/dbraw/zinc/78/10/42/619781042.db2.gz BKVCNCGOUQEXPC-CGTJXYLNSA-N 2 1 324.472 3.384 20 0 DGADMP c1ccc2c(CC[NH2+][C@H]3CC[NH2+]C34CCCC4)nsc2c1 ZINC000903483738 619781230 /nfs/dbraw/zinc/78/12/30/619781230.db2.gz LHHCJRUXUCYSPH-INIZCTEOSA-N 2 1 301.459 3.103 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496447 619782315 /nfs/dbraw/zinc/78/23/15/619782315.db2.gz OETROCMLBFNFQR-BZUAXINKSA-N 2 1 317.477 3.054 20 0 DGADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1)[C@H]1CCC[NH2+]C1 ZINC000903565977 619783780 /nfs/dbraw/zinc/78/37/80/619783780.db2.gz WIKJYZFPOOALOQ-CABCVRRESA-N 2 1 319.518 3.201 20 0 DGADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718486 619803243 /nfs/dbraw/zinc/80/32/43/619803243.db2.gz NKQNCOLMOFKALR-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718298 619803327 /nfs/dbraw/zinc/80/33/27/619803327.db2.gz KJGYVVDQJOEUPG-OALUTQOASA-N 2 1 302.462 3.010 20 0 DGADMP CCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000903724713 619804025 /nfs/dbraw/zinc/80/40/25/619804025.db2.gz QVFRAJCTDOCPOP-DFQSSKMNSA-N 2 1 314.473 3.155 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724501 619804435 /nfs/dbraw/zinc/80/44/35/619804435.db2.gz OCQFEQLXNUYONG-COXVUDFISA-N 2 1 308.853 3.101 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@H]2CCCC[NH2+]C2)ccc1SC ZINC000903727931 619805295 /nfs/dbraw/zinc/80/52/95/619805295.db2.gz ZKLIPXTZKTYBJV-HNNXBMFYSA-N 2 1 308.491 3.239 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)ccc1SC ZINC000903727932 619805419 /nfs/dbraw/zinc/80/54/19/619805419.db2.gz ZKLIPXTZKTYBJV-OAHLLOKOSA-N 2 1 308.491 3.239 20 0 DGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732549 619806081 /nfs/dbraw/zinc/80/60/81/619806081.db2.gz FTPVBESYOAZLIT-NEWSRXKRSA-N 2 1 314.473 3.023 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903738213 619808245 /nfs/dbraw/zinc/80/82/45/619808245.db2.gz ZRROTEBWTBCSAU-CRAIPNDOSA-N 2 1 312.461 3.100 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903738213 619808246 /nfs/dbraw/zinc/80/82/46/619808246.db2.gz ZRROTEBWTBCSAU-CRAIPNDOSA-N 2 1 312.461 3.100 20 0 DGADMP C[N@@H+](CCOc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903741914 619808556 /nfs/dbraw/zinc/80/85/56/619808556.db2.gz SUHZOFNHBNZPLV-FUNVUKJBSA-N 2 1 312.816 3.073 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000903857909 619825136 /nfs/dbraw/zinc/82/51/36/619825136.db2.gz GMOWEGCKQSIKHI-NCXUSEDFSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000903857909 619825137 /nfs/dbraw/zinc/82/51/37/619825137.db2.gz GMOWEGCKQSIKHI-NCXUSEDFSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)C2CC2)cc1 ZINC000903876131 619827454 /nfs/dbraw/zinc/82/74/54/619827454.db2.gz DKOATRAAGCSAFL-DOMZBBRYSA-N 2 1 312.404 3.278 20 0 DGADMP COc1ccc(CCC[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903885924 619828763 /nfs/dbraw/zinc/82/87/63/619828763.db2.gz LZPCVJGKKAAYRH-AYHJJNSGSA-N 2 1 302.462 3.090 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc21)CC(F)F ZINC000903925147 619835001 /nfs/dbraw/zinc/83/50/01/619835001.db2.gz KXBBJWAUOKDFHH-ZYHUDNBSSA-N 2 1 319.193 3.009 20 0 DGADMP C[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000903924939 619835014 /nfs/dbraw/zinc/83/50/14/619835014.db2.gz AAYKTLJPPAQDOY-BXKDBHETSA-N 2 1 310.310 3.381 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957304 619839372 /nfs/dbraw/zinc/83/93/72/619839372.db2.gz PRSIMQSVOQRHHW-ZDUSSCGKSA-N 2 1 322.321 3.348 20 0 DGADMP CCOc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959187 619839726 /nfs/dbraw/zinc/83/97/26/619839726.db2.gz CSXVWUQHDLIDJO-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959187 619839729 /nfs/dbraw/zinc/83/97/29/619839729.db2.gz CSXVWUQHDLIDJO-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2ccc(OC)c(OCC(C)C)c2)CC1 ZINC000903947455 619843577 /nfs/dbraw/zinc/84/35/77/619843577.db2.gz VDBRLYWBRKGTKJ-UHFFFAOYSA-N 2 1 320.477 3.433 20 0 DGADMP CCC[C@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000903973529 619847400 /nfs/dbraw/zinc/84/74/00/619847400.db2.gz PGPUZKAUBGOQHO-RTBURBONSA-N 2 1 316.489 3.319 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974987 619848125 /nfs/dbraw/zinc/84/81/25/619848125.db2.gz XZOUJJYYUINENH-RHSMWYFYSA-N 2 1 322.880 3.019 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000903974955 619848171 /nfs/dbraw/zinc/84/81/71/619848171.db2.gz XOYZWHXHIWQXGZ-YOEHRIQHSA-N 2 1 322.880 3.192 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)C1 ZINC000904327336 619914038 /nfs/dbraw/zinc/91/40/38/619914038.db2.gz DFJNRGCFTIGCPR-JQHSSLGASA-N 2 1 316.470 3.021 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OCCC(C)C ZINC000904404941 619920202 /nfs/dbraw/zinc/92/02/02/619920202.db2.gz BPWQABHBDXHHNY-MRXNPFEDSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000904405581 619920223 /nfs/dbraw/zinc/92/02/23/619920223.db2.gz OKFWNKURAZRONO-STQMWFEESA-N 2 1 300.368 3.480 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1C[NH3+] ZINC000904411448 619920441 /nfs/dbraw/zinc/92/04/41/619920441.db2.gz NGNIVOUNZAGAQB-LSDHHAIUSA-N 2 1 321.896 3.357 20 0 DGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000906516286 620102135 /nfs/dbraw/zinc/10/21/35/620102135.db2.gz AYSHIBBCKAGAST-XYPYZODXSA-N 2 1 312.257 3.304 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@@H]2CCC[C@@H]21 ZINC000906524567 620102955 /nfs/dbraw/zinc/10/29/55/620102955.db2.gz FNVBLMPYBLKIOM-BZSNNMDCSA-N 2 1 311.429 3.304 20 0 DGADMP C([NH2+][C@@H]1CC2CCC1CC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000925387400 620462843 /nfs/dbraw/zinc/46/28/43/620462843.db2.gz MQEPRJFBHRPUHD-DAWZGUTISA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921531839 620903394 /nfs/dbraw/zinc/90/33/94/620903394.db2.gz DGGCLNVJPPAIFC-INIZCTEOSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921531787 620903555 /nfs/dbraw/zinc/90/35/55/620903555.db2.gz CWNXJIWHDOPNQL-MRXNPFEDSA-N 2 1 304.482 3.210 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921531659 620903684 /nfs/dbraw/zinc/90/36/84/620903684.db2.gz CHDXBKRCDNABIO-KRWDZBQOSA-N 2 1 318.509 3.285 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921536823 620904453 /nfs/dbraw/zinc/90/44/53/620904453.db2.gz RUAUTRIXDDBFCD-YDZRNGNQSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(C)c1Br ZINC000921556640 620908185 /nfs/dbraw/zinc/90/81/85/620908185.db2.gz JRDOILNOFZEVCU-UHFFFAOYSA-N 2 1 322.250 3.442 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000921619721 620915825 /nfs/dbraw/zinc/91/58/25/620915825.db2.gz OQEDMQMVRCCGEI-BHIYHBOVSA-N 2 1 308.510 3.292 20 0 DGADMP CSCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000921686808 620933505 /nfs/dbraw/zinc/93/35/05/620933505.db2.gz YOGFGZNHPLZUJP-CQSZACIVSA-N 2 1 303.475 3.480 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000921687123 620934006 /nfs/dbraw/zinc/93/40/06/620934006.db2.gz XNQJZAVEUSDZOH-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980036 620975619 /nfs/dbraw/zinc/97/56/19/620975619.db2.gz IIXJPGTZFLJCIO-JKSUJKDBSA-N 2 1 316.493 3.351 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980036 620975621 /nfs/dbraw/zinc/97/56/21/620975621.db2.gz IIXJPGTZFLJCIO-JKSUJKDBSA-N 2 1 316.493 3.351 20 0 DGADMP CC/C=C\CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856586945 621007322 /nfs/dbraw/zinc/00/73/22/621007322.db2.gz VHEWTNKINRRBOD-LIXSYLKWSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856586945 621007323 /nfs/dbraw/zinc/00/73/23/621007323.db2.gz VHEWTNKINRRBOD-LIXSYLKWSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856586945 621007327 /nfs/dbraw/zinc/00/73/27/621007327.db2.gz VHEWTNKINRRBOD-LIXSYLKWSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C\CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856586947 621007485 /nfs/dbraw/zinc/00/74/85/621007485.db2.gz VHEWTNKINRRBOD-RURPWVQCSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856586947 621007491 /nfs/dbraw/zinc/00/74/91/621007491.db2.gz VHEWTNKINRRBOD-RURPWVQCSA-N 2 1 317.477 3.343 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856586947 621007495 /nfs/dbraw/zinc/00/74/95/621007495.db2.gz VHEWTNKINRRBOD-RURPWVQCSA-N 2 1 317.477 3.343 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3CCCCC3)C2)[C@H]1C(C)C ZINC000922391809 621033114 /nfs/dbraw/zinc/03/31/14/621033114.db2.gz HIFCZNMPPGVNQP-MKXGPGLRSA-N 2 1 308.510 3.026 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000922771409 621097220 /nfs/dbraw/zinc/09/72/20/621097220.db2.gz NWVLAMXHJPYJOK-HNNXBMFYSA-N 2 1 301.434 3.141 20 0 DGADMP COc1cccc2cc(CNC[C@H]3CCCC[N@@H+](C)C3)oc21 ZINC000858244897 621167835 /nfs/dbraw/zinc/16/78/35/621167835.db2.gz JZNLEKYALXUIGV-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)oc21 ZINC000858244897 621167839 /nfs/dbraw/zinc/16/78/39/621167839.db2.gz JZNLEKYALXUIGV-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)oc21 ZINC000858244897 621167842 /nfs/dbraw/zinc/16/78/42/621167842.db2.gz JZNLEKYALXUIGV-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307502 621173498 /nfs/dbraw/zinc/17/34/98/621173498.db2.gz XGZTYDRCZOBMRR-SUMWQHHRSA-N 2 1 320.864 3.244 20 0 DGADMP Oc1ccc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923308134 621173696 /nfs/dbraw/zinc/17/36/96/621173696.db2.gz CPCPGOZLHMVFDC-KTWXZFIHSA-N 2 1 300.446 3.450 20 0 DGADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000923313584 621174128 /nfs/dbraw/zinc/17/41/28/621174128.db2.gz GNFRCNRIUUATKJ-XFZLJDJSSA-N 2 1 320.521 3.433 20 0 DGADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](c2ccccc2)CO1 ZINC000923314005 621174401 /nfs/dbraw/zinc/17/44/01/621174401.db2.gz PDFHWBOPIGFNBK-AEOXZHQRSA-N 2 1 314.473 3.369 20 0 DGADMP CCc1nccn1[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923323416 621176333 /nfs/dbraw/zinc/17/63/33/621176333.db2.gz UGZHBJPPWQAEMG-HQSKLWIPSA-N 3 1 316.493 3.003 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CC4CCC3CC4)C2)C1 ZINC000923388343 621180819 /nfs/dbraw/zinc/18/08/19/621180819.db2.gz OLUHESGPOGVNLU-KQFWTADKSA-N 2 1 306.494 3.031 20 0 DGADMP CCCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1ccc(C)o1 ZINC000923429241 621183678 /nfs/dbraw/zinc/18/36/78/621183678.db2.gz XWPVZEIBAWBMNO-HZPDHXFCSA-N 2 1 306.450 3.130 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923500494 621189190 /nfs/dbraw/zinc/18/91/90/621189190.db2.gz RNIYKPLCUQZYMO-DGCLKSJQSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC000923499331 621189349 /nfs/dbraw/zinc/18/93/49/621189349.db2.gz SBWBBIUYXQJFTO-JQWIXIFHSA-N 2 1 315.230 3.005 20 0 DGADMP CC(C)c1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923504266 621189796 /nfs/dbraw/zinc/18/97/96/621189796.db2.gz WBILVOQEBNDIPX-HUUCEWRRSA-N 2 1 320.481 3.356 20 0 DGADMP C(C[N@H+]1CCC[C@H](C2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923550634 621193664 /nfs/dbraw/zinc/19/36/64/621193664.db2.gz ZXIMWJQRDCTSEY-SCDLOJPASA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858492163 621197577 /nfs/dbraw/zinc/19/75/77/621197577.db2.gz UHZZIYUENDQGJM-JKSUJKDBSA-N 2 1 302.462 3.394 20 0 DGADMP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000103229684 621289700 /nfs/dbraw/zinc/28/97/00/621289700.db2.gz BMVKBHCCTZFHPW-QUCCMNQESA-N 2 1 316.489 3.308 20 0 DGADMP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000103229684 621289702 /nfs/dbraw/zinc/28/97/02/621289702.db2.gz BMVKBHCCTZFHPW-QUCCMNQESA-N 2 1 316.489 3.308 20 0 DGADMP COc1cccc2cc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)oc21 ZINC000839182893 621343901 /nfs/dbraw/zinc/34/39/01/621343901.db2.gz RHWWDFUWDOQZCG-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1csc2ccccc21 ZINC000754730330 621528869 /nfs/dbraw/zinc/52/88/69/621528869.db2.gz HWOPGOWNWSGCBE-ZIAGYGMSSA-N 2 1 304.459 3.009 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000756574526 621650362 /nfs/dbraw/zinc/65/03/62/621650362.db2.gz MXECRGRLDFRJIY-MOPGFXCFSA-N 2 1 317.477 3.156 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544183 621682625 /nfs/dbraw/zinc/68/26/25/621682625.db2.gz MXPUANVPGWMSOC-LJQANCHMSA-N 2 1 301.478 3.343 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544183 621682627 /nfs/dbraw/zinc/68/26/27/621682627.db2.gz MXPUANVPGWMSOC-LJQANCHMSA-N 2 1 301.478 3.343 20 0 DGADMP C[NH+](C)Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000863692025 621701093 /nfs/dbraw/zinc/70/10/93/621701093.db2.gz PVLCZUVIGSGMGI-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP CC(C)(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000865411809 621913765 /nfs/dbraw/zinc/91/37/65/621913765.db2.gz HAIOQPSLWQVVIW-INIZCTEOSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865435077 621920337 /nfs/dbraw/zinc/92/03/37/621920337.db2.gz BQALIGZQGOECIH-AWEZNQCLSA-N 2 1 301.409 3.194 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865435077 621920338 /nfs/dbraw/zinc/92/03/38/621920338.db2.gz BQALIGZQGOECIH-AWEZNQCLSA-N 2 1 301.409 3.194 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865483890 621932564 /nfs/dbraw/zinc/93/25/64/621932564.db2.gz SOWCKNCSUWTVQW-HZPDHXFCSA-N 2 1 301.409 3.336 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865522575 621941971 /nfs/dbraw/zinc/94/19/71/621941971.db2.gz SBGNTJKOGYLVQU-UHFFFAOYSA-N 2 1 318.314 3.076 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)s1 ZINC000865726024 621983976 /nfs/dbraw/zinc/98/39/76/621983976.db2.gz IGCZLJUHXDOKFE-HNNXBMFYSA-N 2 1 323.506 3.034 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866262273 622078360 /nfs/dbraw/zinc/07/83/60/622078360.db2.gz PAKKZQOCCAUACI-BEFAXECRSA-N 2 1 320.452 3.030 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000866341237 622098111 /nfs/dbraw/zinc/09/81/11/622098111.db2.gz KZWODPBAAGTHQY-HXUWFJFHSA-N 2 1 320.440 3.321 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000866390791 622109282 /nfs/dbraw/zinc/10/92/82/622109282.db2.gz SUYAWSGODJNSDG-SJLPKXTDSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000866390791 622109283 /nfs/dbraw/zinc/10/92/83/622109283.db2.gz SUYAWSGODJNSDG-SJLPKXTDSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(F)c3)CC2)C1 ZINC000866472872 622123790 /nfs/dbraw/zinc/12/37/90/622123790.db2.gz FWJABWGFNPJZEG-PBHICJAKSA-N 2 1 305.441 3.353 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000866488882 622126172 /nfs/dbraw/zinc/12/61/72/622126172.db2.gz WKLNEWMNWXOAEG-VDHUWJSZSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590684 622143084 /nfs/dbraw/zinc/14/30/84/622143084.db2.gz TUDYVZWPDLBJDI-OAHLLOKOSA-N 2 1 321.896 3.113 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccnn1C ZINC000866612310 622146708 /nfs/dbraw/zinc/14/67/08/622146708.db2.gz GPPSDTVDVICXIX-ZOBUZTSGSA-N 2 1 304.482 3.114 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1Cl ZINC000866666298 622154397 /nfs/dbraw/zinc/15/43/97/622154397.db2.gz PNCRCYVUDWSPGP-LSDHHAIUSA-N 2 1 307.869 3.255 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H](OC3CCC3)CC1)C[NH2+]CC2 ZINC000866697110 622157633 /nfs/dbraw/zinc/15/76/33/622157633.db2.gz GASCVXORYKTYOW-HXUWFJFHSA-N 2 1 314.473 3.256 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000866704100 622157939 /nfs/dbraw/zinc/15/79/39/622157939.db2.gz LZWUYRFFHYQMDM-KRWDZBQOSA-N 2 1 312.404 3.485 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000866704100 622157940 /nfs/dbraw/zinc/15/79/40/622157940.db2.gz LZWUYRFFHYQMDM-KRWDZBQOSA-N 2 1 312.404 3.485 20 0 DGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705020 622158339 /nfs/dbraw/zinc/15/83/39/622158339.db2.gz RUWNDOPQJBEUGZ-DNVCBOLYSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705020 622158341 /nfs/dbraw/zinc/15/83/41/622158341.db2.gz RUWNDOPQJBEUGZ-DNVCBOLYSA-N 2 1 317.477 3.019 20 0 DGADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1cccc2c1CC[NH2+]C2 ZINC000866717333 622159747 /nfs/dbraw/zinc/15/97/47/622159747.db2.gz BVGZRQKDPISNNQ-UHFFFAOYSA-N 2 1 305.425 3.446 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765073682 622243962 /nfs/dbraw/zinc/24/39/62/622243962.db2.gz LOLMFKKWGCURLJ-WBVHZDCISA-N 2 1 312.461 3.173 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000765245402 622253699 /nfs/dbraw/zinc/25/36/99/622253699.db2.gz PECNEXIADKBMKA-PKOBYXMFSA-N 2 1 315.505 3.292 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292736 622257262 /nfs/dbraw/zinc/25/72/62/622257262.db2.gz XAMKVWXFLXMKRC-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765292736 622257264 /nfs/dbraw/zinc/25/72/64/622257264.db2.gz XAMKVWXFLXMKRC-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@H](C)C1 ZINC000765453041 622265845 /nfs/dbraw/zinc/26/58/45/622265845.db2.gz JJPAWMAIYACFNR-YLJYHZDGSA-N 2 1 321.553 3.351 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000765449308 622266213 /nfs/dbraw/zinc/26/62/13/622266213.db2.gz ILFSLCGMHHOFLL-GJZGRUSLSA-N 2 1 300.450 3.172 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925494282 622273292 /nfs/dbraw/zinc/27/32/92/622273292.db2.gz KCVZFFDCUPKHJL-QRQLOZEOSA-N 2 1 313.489 3.086 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000766139919 622308587 /nfs/dbraw/zinc/30/85/87/622308587.db2.gz JQBLXZXVUFSMIC-BMGDILEWSA-N 2 1 320.477 3.254 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2)cc1 ZINC000129222915 625560482 /nfs/dbraw/zinc/56/04/82/625560482.db2.gz XJPFNUWSYWVSRA-QUCCMNQESA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2)cc1 ZINC000129222915 625560494 /nfs/dbraw/zinc/56/04/94/625560494.db2.gz XJPFNUWSYWVSRA-QUCCMNQESA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2)cc1 ZINC000129222915 625560502 /nfs/dbraw/zinc/56/05/02/625560502.db2.gz XJPFNUWSYWVSRA-QUCCMNQESA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2)cc1 ZINC000129222915 625560505 /nfs/dbraw/zinc/56/05/05/625560505.db2.gz XJPFNUWSYWVSRA-QUCCMNQESA-N 2 1 324.472 3.232 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cn1 ZINC000767354993 622392451 /nfs/dbraw/zinc/39/24/51/622392451.db2.gz OKVCYRSKECZZNZ-MOPGFXCFSA-N 2 1 318.424 3.469 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000767371239 622393815 /nfs/dbraw/zinc/39/38/15/622393815.db2.gz MLOXAHWXMKCIQE-KSSFIOAISA-N 2 1 308.466 3.123 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000767371239 622393817 /nfs/dbraw/zinc/39/38/17/622393817.db2.gz MLOXAHWXMKCIQE-KSSFIOAISA-N 2 1 308.466 3.123 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000767371238 622393917 /nfs/dbraw/zinc/39/39/17/622393917.db2.gz MLOXAHWXMKCIQE-KBXCAEBGSA-N 2 1 308.466 3.123 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000767371238 622393920 /nfs/dbraw/zinc/39/39/20/622393920.db2.gz MLOXAHWXMKCIQE-KBXCAEBGSA-N 2 1 308.466 3.123 20 0 DGADMP Cc1cccc(C2(O)CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000767407668 622396611 /nfs/dbraw/zinc/39/66/11/622396611.db2.gz WMYGCBGDOTWPOT-GOSISDBHSA-N 2 1 316.489 3.071 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514342 622536698 /nfs/dbraw/zinc/53/66/98/622536698.db2.gz JNILHSAPEZAOSZ-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514342 622536700 /nfs/dbraw/zinc/53/67/00/622536700.db2.gz JNILHSAPEZAOSZ-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514342 622536702 /nfs/dbraw/zinc/53/67/02/622536702.db2.gz JNILHSAPEZAOSZ-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514342 622536705 /nfs/dbraw/zinc/53/67/05/622536705.db2.gz JNILHSAPEZAOSZ-SFHVURJKSA-N 2 1 315.505 3.451 20 0 DGADMP CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000769536754 622539220 /nfs/dbraw/zinc/53/92/20/622539220.db2.gz DZBAXOBUXDYWQW-UHFFFAOYSA-N 2 1 311.473 3.446 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC(C)C)Cc2ccc(F)cc2)C1 ZINC000872025400 622758816 /nfs/dbraw/zinc/75/88/16/622758816.db2.gz MCFFZCCPAUWUSE-PKOBYXMFSA-N 2 1 322.468 3.093 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026370 622759698 /nfs/dbraw/zinc/75/96/98/622759698.db2.gz DYLGAMOCKONWHB-XWTMOSNGSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026370 622759703 /nfs/dbraw/zinc/75/97/03/622759703.db2.gz DYLGAMOCKONWHB-XWTMOSNGSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149582 622833184 /nfs/dbraw/zinc/83/31/84/622833184.db2.gz OSXIHEFHKKETBC-UKRRQHHQSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149582 622833189 /nfs/dbraw/zinc/83/31/89/622833189.db2.gz OSXIHEFHKKETBC-UKRRQHHQSA-N 2 1 316.367 3.043 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000872150354 622834018 /nfs/dbraw/zinc/83/40/18/622834018.db2.gz QFYSIIFOOKMDGE-OCCSQVGLSA-N 2 1 320.786 3.342 20 0 DGADMP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872154798 622834645 /nfs/dbraw/zinc/83/46/45/622834645.db2.gz APDUUFHOMPBSMB-CQSZACIVSA-N 2 1 323.506 3.186 20 0 DGADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872154943 622835546 /nfs/dbraw/zinc/83/55/46/622835546.db2.gz GNRCDEOOOZSEML-HNNXBMFYSA-N 2 1 305.466 3.027 20 0 DGADMP Cc1noc([C@H](C)[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156306 622837205 /nfs/dbraw/zinc/83/72/05/622837205.db2.gz HQNOJXGHUDWRRV-BJJXKVORSA-N 2 1 306.454 3.059 20 0 DGADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157368 622838139 /nfs/dbraw/zinc/83/81/39/622838139.db2.gz LYNSGFTWHDYCRM-MAUKXSAKSA-N 2 1 305.466 3.411 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156429 622838168 /nfs/dbraw/zinc/83/81/68/622838168.db2.gz JNVBYLRPJQLZKM-PKOBYXMFSA-N 2 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156429 622838173 /nfs/dbraw/zinc/83/81/73/622838173.db2.gz JNVBYLRPJQLZKM-PKOBYXMFSA-N 3 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156429 622838178 /nfs/dbraw/zinc/83/81/78/622838178.db2.gz JNVBYLRPJQLZKM-PKOBYXMFSA-N 3 1 318.509 3.201 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000872157629 622838594 /nfs/dbraw/zinc/83/85/94/622838594.db2.gz OGUFGBMHVHATGF-DOTOQJQBSA-N 2 1 320.502 3.175 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nc(C)n1 ZINC000872157517 622838613 /nfs/dbraw/zinc/83/86/13/622838613.db2.gz PFJLFKXBKNYVOY-LPHOPBHVSA-N 2 1 316.493 3.213 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156428 622838783 /nfs/dbraw/zinc/83/87/83/622838783.db2.gz JNVBYLRPJQLZKM-MJGOQNOKSA-N 2 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156428 622838792 /nfs/dbraw/zinc/83/87/92/622838792.db2.gz JNVBYLRPJQLZKM-MJGOQNOKSA-N 3 1 318.509 3.201 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156428 622838800 /nfs/dbraw/zinc/83/88/00/622838800.db2.gz JNVBYLRPJQLZKM-MJGOQNOKSA-N 3 1 318.509 3.201 20 0 DGADMP CCOc1cccc(F)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000873063088 623028767 /nfs/dbraw/zinc/02/87/67/623028767.db2.gz JFVJPRBKUVUQMG-GOOCMWNKSA-N 2 1 306.425 3.329 20 0 DGADMP CCOc1cccc(F)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000873063088 623028776 /nfs/dbraw/zinc/02/87/76/623028776.db2.gz JFVJPRBKUVUQMG-GOOCMWNKSA-N 2 1 306.425 3.329 20 0 DGADMP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208461 623075328 /nfs/dbraw/zinc/07/53/28/623075328.db2.gz OAGLQSZWQXLPAI-GUYCJALGSA-N 2 1 313.470 3.372 20 0 DGADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873222810 623079910 /nfs/dbraw/zinc/07/99/10/623079910.db2.gz CLELBVZRFYHIAU-LJQANCHMSA-N 2 1 318.509 3.123 20 0 DGADMP CCN(CC)c1ncc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223994 623081508 /nfs/dbraw/zinc/08/15/08/623081508.db2.gz VYLYHUCVJBNPND-QGZVFWFLSA-N 2 1 324.538 3.186 20 0 DGADMP CCSc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228461 623082766 /nfs/dbraw/zinc/08/27/66/623082766.db2.gz SALUMPYUYQTTOU-TZMCWYRMSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228461 623082771 /nfs/dbraw/zinc/08/27/71/623082771.db2.gz SALUMPYUYQTTOU-TZMCWYRMSA-N 2 1 318.408 3.368 20 0 DGADMP CC[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000873229156 623083113 /nfs/dbraw/zinc/08/31/13/623083113.db2.gz YENXWZJRBQTJET-YUELXQCFSA-N 2 1 300.368 3.249 20 0 DGADMP Cc1nn2c(C[N@@H+](C)CCCCCC[NH3+])c(C(C)C)nc2s1 ZINC000873231536 623084436 /nfs/dbraw/zinc/08/44/36/623084436.db2.gz MDADOHJAMJLQKI-UHFFFAOYSA-N 2 1 323.510 3.174 20 0 DGADMP C[C@H](NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000873242205 623088341 /nfs/dbraw/zinc/08/83/41/623088341.db2.gz NGOFDDDQURSZFA-FXAWDEMLSA-N 2 1 315.505 3.019 20 0 DGADMP Fc1ccc2onc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2c1 ZINC000873248762 623090809 /nfs/dbraw/zinc/09/08/09/623090809.db2.gz IDOHRIWDHNLQHM-VNQPRFMTSA-N 2 1 317.408 3.367 20 0 DGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cc[nH]n2)ccc1OC ZINC000775385159 623263745 /nfs/dbraw/zinc/26/37/45/623263745.db2.gz JVTFUSCGPLADDK-AWEZNQCLSA-N 2 1 316.449 3.111 20 0 DGADMP CN(C)c1ccc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000775883322 623346204 /nfs/dbraw/zinc/34/62/04/623346204.db2.gz UWBUVAPUFCMPNT-FQEVSTJZSA-N 2 1 315.505 3.416 20 0 DGADMP CCC[C@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000776034047 623368499 /nfs/dbraw/zinc/36/84/99/623368499.db2.gz YJUKLNHGIRKICT-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000776266852 623404274 /nfs/dbraw/zinc/40/42/74/623404274.db2.gz WPDMKXYWTXYOTG-VIFPVBQESA-N 2 1 313.232 3.202 20 0 DGADMP CO[C@H](C)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692923 623556788 /nfs/dbraw/zinc/55/67/88/623556788.db2.gz GPAPQSSIGAAHNH-JKSUJKDBSA-N 2 1 319.493 3.300 20 0 DGADMP C[N@@H+](Cc1cc2c(ccnc2Cl)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000876598395 623657002 /nfs/dbraw/zinc/65/70/02/623657002.db2.gz WEVPXZQMHNVFQO-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP C[N@H+](Cc1cc2c(ccnc2Cl)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000876598395 623657003 /nfs/dbraw/zinc/65/70/03/623657003.db2.gz WEVPXZQMHNVFQO-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000876598395 623657005 /nfs/dbraw/zinc/65/70/05/623657005.db2.gz WEVPXZQMHNVFQO-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876598395 623657008 /nfs/dbraw/zinc/65/70/08/623657008.db2.gz WEVPXZQMHNVFQO-GFCCVEGCSA-N 2 1 307.825 3.255 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765537 623700979 /nfs/dbraw/zinc/70/09/79/623700979.db2.gz SSHJSAIFPARTFY-CZUORRHYSA-N 2 1 301.409 3.288 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765537 623700983 /nfs/dbraw/zinc/70/09/83/623700983.db2.gz SSHJSAIFPARTFY-CZUORRHYSA-N 2 1 301.409 3.288 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CCC2)cc1 ZINC000779022563 623721534 /nfs/dbraw/zinc/72/15/34/623721534.db2.gz UEIUWXBIKSHUHH-SLFFLAALSA-N 2 1 314.473 3.289 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CCC2)cc1 ZINC000779022563 623721538 /nfs/dbraw/zinc/72/15/38/623721538.db2.gz UEIUWXBIKSHUHH-SLFFLAALSA-N 2 1 314.473 3.289 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CCC2)cc1 ZINC000779022565 623721983 /nfs/dbraw/zinc/72/19/83/623721983.db2.gz UEIUWXBIKSHUHH-XUVXKRRUSA-N 2 1 314.473 3.289 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CCC2)cc1 ZINC000779022565 623721989 /nfs/dbraw/zinc/72/19/89/623721989.db2.gz UEIUWXBIKSHUHH-XUVXKRRUSA-N 2 1 314.473 3.289 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000876913761 623743244 /nfs/dbraw/zinc/74/32/44/623743244.db2.gz KSAKCXNNDJSRHN-FOIQADDNSA-N 2 1 304.415 3.175 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876964717 623756257 /nfs/dbraw/zinc/75/62/57/623756257.db2.gz NZEVDWVOFPDJRU-KQDGPHEJSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000876964717 623756258 /nfs/dbraw/zinc/75/62/58/623756258.db2.gz NZEVDWVOFPDJRU-KQDGPHEJSA-N 2 1 318.442 3.419 20 0 DGADMP C[C@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779340825 623761330 /nfs/dbraw/zinc/76/13/30/623761330.db2.gz JVXGWVSYPGJPBT-IXDOHACOSA-N 2 1 304.478 3.025 20 0 DGADMP Cc1cc(Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)nc(N)[nH+]1 ZINC000779917921 623832768 /nfs/dbraw/zinc/83/27/68/623832768.db2.gz UBXKRBCBJRKZKG-ZDUSSCGKSA-N 2 1 312.421 3.193 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531049 623928183 /nfs/dbraw/zinc/92/81/83/623928183.db2.gz IOVMFHQGJATSIN-FZMZJTMJSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531049 623928186 /nfs/dbraw/zinc/92/81/86/623928186.db2.gz IOVMFHQGJATSIN-FZMZJTMJSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531049 623928187 /nfs/dbraw/zinc/92/81/87/623928187.db2.gz IOVMFHQGJATSIN-FZMZJTMJSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531049 623928190 /nfs/dbraw/zinc/92/81/90/623928190.db2.gz IOVMFHQGJATSIN-FZMZJTMJSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000877654004 623978871 /nfs/dbraw/zinc/97/88/71/623978871.db2.gz SXAFMUFESSNXMK-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742870 624014763 /nfs/dbraw/zinc/01/47/63/624014763.db2.gz RUKISYQNLYZUNH-FZMZJTMJSA-N 2 1 321.877 3.476 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742870 624014768 /nfs/dbraw/zinc/01/47/68/624014768.db2.gz RUKISYQNLYZUNH-FZMZJTMJSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742870 624014774 /nfs/dbraw/zinc/01/47/74/624014774.db2.gz RUKISYQNLYZUNH-FZMZJTMJSA-N 2 1 321.877 3.476 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4nc(Cl)ccc4s3)CC[C@@H]21 ZINC000877742870 624014779 /nfs/dbraw/zinc/01/47/79/624014779.db2.gz RUKISYQNLYZUNH-FZMZJTMJSA-N 2 1 321.877 3.476 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742807 624015599 /nfs/dbraw/zinc/01/55/99/624015599.db2.gz REGZPFUABCUEFE-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742807 624015602 /nfs/dbraw/zinc/01/56/02/624015602.db2.gz REGZPFUABCUEFE-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742807 624015606 /nfs/dbraw/zinc/01/56/06/624015606.db2.gz REGZPFUABCUEFE-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000877742807 624015610 /nfs/dbraw/zinc/01/56/10/624015610.db2.gz REGZPFUABCUEFE-MJGOQNOKSA-N 2 1 302.462 3.262 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c2ccccc12 ZINC000877744482 624016317 /nfs/dbraw/zinc/01/63/17/624016317.db2.gz USPJVOYIWUWHRZ-QFBILLFUSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2ccccc12 ZINC000877744482 624016322 /nfs/dbraw/zinc/01/63/22/624016322.db2.gz USPJVOYIWUWHRZ-QFBILLFUSA-N 2 1 310.441 3.374 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c2ccccc12 ZINC000877744482 624016327 /nfs/dbraw/zinc/01/63/27/624016327.db2.gz USPJVOYIWUWHRZ-QFBILLFUSA-N 2 1 310.441 3.374 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743024 624016629 /nfs/dbraw/zinc/01/66/29/624016629.db2.gz HXKZNTFXBQAGPI-VQTJNVASSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743024 624016630 /nfs/dbraw/zinc/01/66/30/624016630.db2.gz HXKZNTFXBQAGPI-VQTJNVASSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743024 624016631 /nfs/dbraw/zinc/01/66/31/624016631.db2.gz HXKZNTFXBQAGPI-VQTJNVASSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000877743024 624016632 /nfs/dbraw/zinc/01/66/32/624016632.db2.gz HXKZNTFXBQAGPI-VQTJNVASSA-N 2 1 307.441 3.275 20 0 DGADMP CCOc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)nc1 ZINC000877767519 624028604 /nfs/dbraw/zinc/02/86/04/624028604.db2.gz LUGXFNXJSGTVIF-UHFFFAOYSA-N 2 1 319.493 3.280 20 0 DGADMP COc1cncc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1C ZINC000877767704 624028655 /nfs/dbraw/zinc/02/86/55/624028655.db2.gz UGRWCCHWRZWBLW-UHFFFAOYSA-N 2 1 319.493 3.198 20 0 DGADMP CC(C)C[N@H+](Cc1cccc2n[nH]cc21)CC1CC[NH+](C)CC1 ZINC000877767909 624028791 /nfs/dbraw/zinc/02/87/91/624028791.db2.gz YOVHYBLSUQTMIB-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877778214 624033769 /nfs/dbraw/zinc/03/37/69/624033769.db2.gz KDWOSCVVHHBMKU-ZCDKGFTFSA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877778214 624033770 /nfs/dbraw/zinc/03/37/70/624033770.db2.gz KDWOSCVVHHBMKU-ZCDKGFTFSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC[C@@H]1CCO1)C2 ZINC000877818167 624048742 /nfs/dbraw/zinc/04/87/42/624048742.db2.gz XZKANLOBQAYNNA-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CCC[C@@H]3CCO3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877818167 624048749 /nfs/dbraw/zinc/04/87/49/624048749.db2.gz XZKANLOBQAYNNA-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CCC[C@@H]3CCO3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877818167 624048750 /nfs/dbraw/zinc/04/87/50/624048750.db2.gz XZKANLOBQAYNNA-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CC(C)(C)C ZINC000878302170 624240103 /nfs/dbraw/zinc/24/01/03/624240103.db2.gz IQMSCHDDLVLPQY-KAKFPZCNSA-N 2 1 321.553 3.302 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)CC(C)(C)C ZINC000878324864 624245251 /nfs/dbraw/zinc/24/52/51/624245251.db2.gz PJHVSQUTYXKYSB-OKZBNKHCSA-N 2 1 309.542 3.017 20 0 DGADMP CC1(C)C[C@@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C(C)(C)O1 ZINC000878747996 624353126 /nfs/dbraw/zinc/35/31/26/624353126.db2.gz QHENLIWHXNRCJW-INIZCTEOSA-N 2 1 317.477 3.187 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000879206627 624450893 /nfs/dbraw/zinc/45/08/93/624450893.db2.gz PVABIMDBMQQZCW-GOSISDBHSA-N 2 1 302.462 3.060 20 0 DGADMP CCCc1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cs1 ZINC000879248884 624463752 /nfs/dbraw/zinc/46/37/52/624463752.db2.gz XPBISORFFPNQLK-UHFFFAOYSA-N 2 1 307.507 3.403 20 0 DGADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879568728 624594149 /nfs/dbraw/zinc/59/41/49/624594149.db2.gz CMGLTURAJGEAGR-HKUYNNGSSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1ccc(-c2cc(CN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568843 624594814 /nfs/dbraw/zinc/59/48/14/624594814.db2.gz DHFAZBYAEIOZRR-VQIMIIECSA-N 2 1 311.429 3.176 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578096 624598208 /nfs/dbraw/zinc/59/82/08/624598208.db2.gz ATYODKDCQCUABM-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578096 624598211 /nfs/dbraw/zinc/59/82/11/624598211.db2.gz ATYODKDCQCUABM-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578096 624598214 /nfs/dbraw/zinc/59/82/14/624598214.db2.gz ATYODKDCQCUABM-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578096 624598217 /nfs/dbraw/zinc/59/82/17/624598217.db2.gz ATYODKDCQCUABM-CJNGLKHVSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578094 624598299 /nfs/dbraw/zinc/59/82/99/624598299.db2.gz ATYODKDCQCUABM-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578094 624598302 /nfs/dbraw/zinc/59/83/02/624598302.db2.gz ATYODKDCQCUABM-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578094 624598304 /nfs/dbraw/zinc/59/83/04/624598304.db2.gz ATYODKDCQCUABM-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCSc3cccc(Cl)c3)CC[C@@H]21 ZINC000879578094 624598307 /nfs/dbraw/zinc/59/83/07/624598307.db2.gz ATYODKDCQCUABM-BBRMVZONSA-N 2 1 310.894 3.458 20 0 DGADMP CC(C)C[N@@H+](CC[C@H](O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879703214 624645201 /nfs/dbraw/zinc/64/52/01/624645201.db2.gz FXTDZFXKQJSYTF-FQEVSTJZSA-N 2 1 318.505 3.410 20 0 DGADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C[C@H](O)c1cccc2ccccc21 ZINC000880142448 624806523 /nfs/dbraw/zinc/80/65/23/624806523.db2.gz OLIRHQKIWVGUDG-UFYCRDLUSA-N 2 1 310.441 3.042 20 0 DGADMP C[C@H]1C[N@@H+](C[C@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259702 624874894 /nfs/dbraw/zinc/87/48/94/624874894.db2.gz ZLEHFEMBNVIQAH-JSGCOSHPSA-N 2 1 314.260 3.176 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](CCSCc2ccccc2)CC1 ZINC000880473482 624964571 /nfs/dbraw/zinc/96/45/71/624964571.db2.gz FSMYNHZPDVVPKF-UHFFFAOYSA-N 2 1 304.503 3.480 20 0 DGADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH+]2CCCCC2)cn1 ZINC000880518508 624971306 /nfs/dbraw/zinc/97/13/06/624971306.db2.gz LOSDQNSAWRIGGF-JLYLLQBASA-N 2 1 316.493 3.007 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880568809 624979154 /nfs/dbraw/zinc/97/91/54/624979154.db2.gz DBSWFAXAHWUOBR-IBGZPJMESA-N 2 1 323.444 3.199 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000787305642 624999549 /nfs/dbraw/zinc/99/95/49/624999549.db2.gz UAMLSMLNVARMPM-APWZRJJASA-N 2 1 322.468 3.383 20 0 DGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC000788479772 625193802 /nfs/dbraw/zinc/19/38/02/625193802.db2.gz BTXDICXBSHXDTL-IBGZPJMESA-N 2 1 301.478 3.231 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788538070 625211011 /nfs/dbraw/zinc/21/10/11/625211011.db2.gz DWVUCDPAWNEKQU-XHSDSOJGSA-N 2 1 305.466 3.196 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1ccc2oc(=O)oc2c1)C1CCCCC1 ZINC000882882357 625844627 /nfs/dbraw/zinc/84/46/27/625844627.db2.gz HAIQGMZMENUUQZ-UHFFFAOYSA-N 2 1 318.417 3.130 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1ccc2oc(=O)oc2c1)C1CCCCC1 ZINC000882882357 625844629 /nfs/dbraw/zinc/84/46/29/625844629.db2.gz HAIQGMZMENUUQZ-UHFFFAOYSA-N 2 1 318.417 3.130 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000798182814 626200324 /nfs/dbraw/zinc/20/03/24/626200324.db2.gz KDXJANYWXYIXQJ-MRXNPFEDSA-N 2 1 319.836 3.486 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)CC1 ZINC000798957300 626262592 /nfs/dbraw/zinc/26/25/92/626262592.db2.gz RJMYARWGMHRZOY-UHFFFAOYSA-N 2 1 300.446 3.025 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883261814 626627426 /nfs/dbraw/zinc/62/74/26/626627426.db2.gz NQAYXSWFMIOKFL-WNHJNPCNSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000883261814 626627430 /nfs/dbraw/zinc/62/74/30/626627430.db2.gz NQAYXSWFMIOKFL-WNHJNPCNSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883315679 626644032 /nfs/dbraw/zinc/64/40/32/626644032.db2.gz UJZKVFWWUSYUJT-YSHGAJCASA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000883315679 626644035 /nfs/dbraw/zinc/64/40/35/626644035.db2.gz UJZKVFWWUSYUJT-YSHGAJCASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000883417924 626678327 /nfs/dbraw/zinc/67/83/27/626678327.db2.gz RRNBLVCZWFNSEX-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccccc2Br)C1 ZINC000883417924 626678329 /nfs/dbraw/zinc/67/83/29/626678329.db2.gz RRNBLVCZWFNSEX-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@@H]21 ZINC000883425031 626679295 /nfs/dbraw/zinc/67/92/95/626679295.db2.gz JZQZHYLEACZWHA-CXQPBAHBSA-N 2 1 314.473 3.356 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883424143 626679301 /nfs/dbraw/zinc/67/93/01/626679301.db2.gz IAHZNCDLIRDRAO-MOPGFXCFSA-N 2 1 302.462 3.371 20 0 DGADMP CC[C@H]1C[N@H+](CCc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000883427340 626679979 /nfs/dbraw/zinc/67/99/79/626679979.db2.gz OKVVWOFVEFOBPC-WFASDCNBSA-N 2 1 311.267 3.051 20 0 DGADMP CC[C@H]1C[N@@H+](CCc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000883427340 626679981 /nfs/dbraw/zinc/67/99/81/626679981.db2.gz OKVVWOFVEFOBPC-WFASDCNBSA-N 2 1 311.267 3.051 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883427689 626680145 /nfs/dbraw/zinc/68/01/45/626680145.db2.gz ZICVAIRRGGCMHO-QXCFHYIPSA-N 2 1 302.462 3.356 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437870 626682714 /nfs/dbraw/zinc/68/27/14/626682714.db2.gz DCBMWGUJJPQXSS-WTGUMLROSA-N 2 1 314.473 3.228 20 0 DGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000883437870 626682715 /nfs/dbraw/zinc/68/27/15/626682715.db2.gz DCBMWGUJJPQXSS-WTGUMLROSA-N 2 1 314.473 3.228 20 0 DGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(-c3ccccc3)cc2)C[C@@H]1[NH3+] ZINC000883442225 626683384 /nfs/dbraw/zinc/68/33/84/626683384.db2.gz HBLZFPTWJBHEAQ-ZWKOTPCHSA-N 2 1 323.440 3.008 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccsc3[C@H]2C)cc1 ZINC000883461021 626686164 /nfs/dbraw/zinc/68/61/64/626686164.db2.gz MDVBOGUJTNNXCH-CZUORRHYSA-N 2 1 316.470 3.418 20 0 DGADMP CC(C)n1nccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737407 626944247 /nfs/dbraw/zinc/94/42/47/626944247.db2.gz HHPHRKGQYRXXLK-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP CC(C)n1nccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737407 626944249 /nfs/dbraw/zinc/94/42/49/626944249.db2.gz HHPHRKGQYRXXLK-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000809737386 626944296 /nfs/dbraw/zinc/94/42/96/626944296.db2.gz HCTMQHOJQHWREF-UHFFFAOYSA-N 2 1 314.477 3.213 20 0 DGADMP COc1cccc2cc(C[N@H+](C)CCCn3cc[nH+]c3C)oc21 ZINC000809753350 626946369 /nfs/dbraw/zinc/94/63/69/626946369.db2.gz SEWVBKMREIXDOT-UHFFFAOYSA-N 2 1 313.401 3.468 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)CCCn3cc[nH+]c3C)oc21 ZINC000809753350 626946371 /nfs/dbraw/zinc/94/63/71/626946371.db2.gz SEWVBKMREIXDOT-UHFFFAOYSA-N 2 1 313.401 3.468 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968938 626963533 /nfs/dbraw/zinc/96/35/33/626963533.db2.gz JOJAUJAKFPNTPH-VQTJNVASSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000809968938 626963535 /nfs/dbraw/zinc/96/35/35/626963535.db2.gz JOJAUJAKFPNTPH-VQTJNVASSA-N 2 1 316.489 3.353 20 0 DGADMP COc1cc(C)cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC ZINC000885901952 627057464 /nfs/dbraw/zinc/05/74/64/627057464.db2.gz XLLAYQNRTBRQPO-UHFFFAOYSA-N 2 1 320.477 3.411 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccccc1OCC(F)F ZINC000885999640 627079127 /nfs/dbraw/zinc/07/91/27/627079127.db2.gz KQSHUAQNBBUZFY-UHFFFAOYSA-N 2 1 323.387 3.405 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000886017071 627085127 /nfs/dbraw/zinc/08/51/27/627085127.db2.gz RIICWMMESGLKBD-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP C([C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCCC1 ZINC000886020582 627086195 /nfs/dbraw/zinc/08/61/95/627086195.db2.gz DCZJUSIMMHNFRX-QZTJIDSGSA-N 2 1 306.494 3.144 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886041813 627091331 /nfs/dbraw/zinc/09/13/31/627091331.db2.gz QPPPZQQXTRDTQO-YZGWKJHDSA-N 2 1 320.521 3.390 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886171563 627117396 /nfs/dbraw/zinc/11/73/96/627117396.db2.gz JJUNPUCKMIVTAW-IAGOWNOFSA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886171563 627117398 /nfs/dbraw/zinc/11/73/98/627117398.db2.gz JJUNPUCKMIVTAW-IAGOWNOFSA-N 2 1 305.466 3.115 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886313951 627135047 /nfs/dbraw/zinc/13/50/47/627135047.db2.gz IDFOODONNWXGMV-ROUUACIJSA-N 2 1 306.494 3.284 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886510052 627155261 /nfs/dbraw/zinc/15/52/61/627155261.db2.gz RIVDSRPTCHJUNJ-LMDPOFIKSA-N 3 1 307.526 3.105 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886526089 627156888 /nfs/dbraw/zinc/15/68/88/627156888.db2.gz FCYXPXFINYWIBA-JBDAPHQKSA-N 2 1 316.489 3.036 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CC4(CCC4)CO3)CC2)[nH+]c1C ZINC000886659072 627182225 /nfs/dbraw/zinc/18/22/25/627182225.db2.gz BTDUIAOOEISZQA-MRXNPFEDSA-N 2 1 303.450 3.165 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCN(C)c3ccccc3)CC2)[nH+]c1C ZINC000886666284 627184426 /nfs/dbraw/zinc/18/44/26/627184426.db2.gz QHOKQFZZRJHYIK-UHFFFAOYSA-N 2 1 312.461 3.342 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)[nH+]c1C ZINC000886668417 627184946 /nfs/dbraw/zinc/18/49/46/627184946.db2.gz SNKADCKHVMAWAO-KRWDZBQOSA-N 2 1 317.408 3.079 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841472 627211294 /nfs/dbraw/zinc/21/12/94/627211294.db2.gz MICTWACTMQXCFV-ROUUACIJSA-N 2 1 306.494 3.047 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCOC(C)(C)C ZINC000887135175 627228239 /nfs/dbraw/zinc/22/82/39/627228239.db2.gz XQOMATDVQYQQKO-MRXNPFEDSA-N 2 1 305.466 3.187 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851432 627429999 /nfs/dbraw/zinc/42/99/99/627429999.db2.gz RRSVQSFJKJJQNT-MAUKXSAKSA-N 2 1 301.434 3.026 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851432 627430000 /nfs/dbraw/zinc/43/00/00/627430000.db2.gz RRSVQSFJKJJQNT-MAUKXSAKSA-N 2 1 301.434 3.026 20 0 DGADMP C[N@H+](CCN[C@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000925482961 627470531 /nfs/dbraw/zinc/47/05/31/627470531.db2.gz UZGRKWFKGPQGLZ-LJQANCHMSA-N 2 1 303.494 3.321 20 0 DGADMP C[N@@H+](CCN[C@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000925482961 627470533 /nfs/dbraw/zinc/47/05/33/627470533.db2.gz UZGRKWFKGPQGLZ-LJQANCHMSA-N 2 1 303.494 3.321 20 0 DGADMP C[N@@H+](C[C@H](O)c1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000815052848 627619726 /nfs/dbraw/zinc/61/97/26/627619726.db2.gz DLONTLXSKVSVEI-UZLBHIALSA-N 2 1 312.457 3.147 20 0 DGADMP C[NH+](C[C@H](O)c1cccc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000815052848 627619728 /nfs/dbraw/zinc/61/97/28/627619728.db2.gz DLONTLXSKVSVEI-UZLBHIALSA-N 2 1 312.457 3.147 20 0 DGADMP C[NH+](C[C@H](O)c1cccc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000815052848 627619732 /nfs/dbraw/zinc/61/97/32/627619732.db2.gz DLONTLXSKVSVEI-UZLBHIALSA-N 2 1 312.457 3.147 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000924684828 627667169 /nfs/dbraw/zinc/66/71/69/627667169.db2.gz GGMLNJVSZHXKKD-HZPDHXFCSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924696884 627669381 /nfs/dbraw/zinc/66/93/81/627669381.db2.gz GYQWWKFVPUNTFU-IAGOWNOFSA-N 2 1 316.489 3.220 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccnn1C1CCC1)C[NH+]1CCCCC1 ZINC000924719981 627672720 /nfs/dbraw/zinc/67/27/20/627672720.db2.gz FEJRWCSDOLEPJZ-CVEARBPZSA-N 2 1 304.482 3.381 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000815445709 627674027 /nfs/dbraw/zinc/67/40/27/627674027.db2.gz GNFFUAGLPKQSBD-SJLPKXTDSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445709 627674031 /nfs/dbraw/zinc/67/40/31/627674031.db2.gz GNFFUAGLPKQSBD-SJLPKXTDSA-N 2 1 322.493 3.201 20 0 DGADMP C[NH+]1CCCC[C@@H]1CCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445709 627674037 /nfs/dbraw/zinc/67/40/37/627674037.db2.gz GNFFUAGLPKQSBD-SJLPKXTDSA-N 2 1 322.493 3.201 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924750969 627676751 /nfs/dbraw/zinc/67/67/51/627676751.db2.gz HUTYLWKQEWQECP-CRAIPNDOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924750969 627676753 /nfs/dbraw/zinc/67/67/53/627676753.db2.gz HUTYLWKQEWQECP-CRAIPNDOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000924855148 627687959 /nfs/dbraw/zinc/68/79/59/627687959.db2.gz VTSBLRJZIWNQPS-BWPNAZKDSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924872124 627689066 /nfs/dbraw/zinc/68/90/66/627689066.db2.gz FMTJAEYZEZVMJT-HPFXQQBRSA-N 2 1 322.518 3.221 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924872124 627689069 /nfs/dbraw/zinc/68/90/69/627689069.db2.gz FMTJAEYZEZVMJT-HPFXQQBRSA-N 2 1 322.518 3.221 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924948608 627696533 /nfs/dbraw/zinc/69/65/33/627696533.db2.gz DWZYMBCKJJILKC-CVEARBPZSA-N 3 1 314.477 3.240 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000924958828 627697820 /nfs/dbraw/zinc/69/78/20/627697820.db2.gz MKEJFVCZYPNSIC-VNCLNFNDSA-N 2 1 302.462 3.186 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)CC2)nc(C)[nH+]1 ZINC000925222831 627720838 /nfs/dbraw/zinc/72/08/38/627720838.db2.gz DDERBZDYXVVQEA-LZLYRXPVSA-N 2 1 312.461 3.007 20 0 DGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925281615 627727811 /nfs/dbraw/zinc/72/78/11/627727811.db2.gz ZDJUBPVKAWLENX-PFRQMTDMSA-N 2 1 324.472 3.284 20 0 DGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925281615 627727813 /nfs/dbraw/zinc/72/78/13/627727813.db2.gz ZDJUBPVKAWLENX-PFRQMTDMSA-N 2 1 324.472 3.284 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000925408711 627733933 /nfs/dbraw/zinc/73/39/33/627733933.db2.gz RMEMIBJYPSSXLT-LJQANCHMSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000925499880 627743179 /nfs/dbraw/zinc/74/31/79/627743179.db2.gz BGBVCCKXWRPASB-PBHICJAKSA-N 2 1 322.880 3.118 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CCC[NH2+][C@@H]3C)s2)cs1 ZINC000925522595 627746774 /nfs/dbraw/zinc/74/67/74/627746774.db2.gz HFPMQPZPDKYVCR-RISCZKNCSA-N 2 1 321.515 3.453 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[NH2+][C@@H]3C)s2)cs1 ZINC000925522593 627746855 /nfs/dbraw/zinc/74/68/55/627746855.db2.gz HFPMQPZPDKYVCR-BXUZGUMPSA-N 2 1 321.515 3.453 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)C12CCC2 ZINC000925530582 627748975 /nfs/dbraw/zinc/74/89/75/627748975.db2.gz FGQVMWDNKUXXPS-SJORKVTESA-N 2 1 309.413 3.233 20 0 DGADMP Cc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)o1 ZINC000925556610 627753220 /nfs/dbraw/zinc/75/32/20/627753220.db2.gz KSFMSQMOOWYWAW-ZACQAIPSSA-N 2 1 319.493 3.221 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925586507 627759340 /nfs/dbraw/zinc/75/93/40/627759340.db2.gz SSCQSIIPBDHHCW-XKQJLSEDSA-N 2 1 315.461 3.031 20 0 DGADMP Cc1sc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)nc1-c1ccccc1 ZINC000925589232 627759759 /nfs/dbraw/zinc/75/97/59/627759759.db2.gz XIHSEKYBRYCZDY-BBRMVZONSA-N 2 1 315.486 3.391 20 0 DGADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925615797 627762816 /nfs/dbraw/zinc/76/28/16/627762816.db2.gz ICPKLISDOSBXMX-QZTJIDSGSA-N 2 1 317.477 3.128 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925612317 627762856 /nfs/dbraw/zinc/76/28/56/627762856.db2.gz JJIWQBMOCTZTBK-ZWKOTPCHSA-N 2 1 317.477 3.127 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925646090 627768856 /nfs/dbraw/zinc/76/88/56/627768856.db2.gz SQBOHFINYNDPAY-JQHSSLGASA-N 2 1 318.436 3.407 20 0 DGADMP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[nH]1 ZINC000925658917 627771903 /nfs/dbraw/zinc/77/19/03/627771903.db2.gz KKRBSSFLHQKFJA-KBPBESRZSA-N 2 1 315.465 3.402 20 0 DGADMP CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)[nH]1 ZINC000925658920 627772135 /nfs/dbraw/zinc/77/21/35/627772135.db2.gz KKRBSSFLHQKFJA-ZIAGYGMSSA-N 2 1 315.465 3.402 20 0 DGADMP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)c2cc1Cl ZINC000925718346 627781327 /nfs/dbraw/zinc/78/13/27/627781327.db2.gz LCTXXHOYWDEFBC-MRXNPFEDSA-N 2 1 321.827 3.377 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000925722660 627781890 /nfs/dbraw/zinc/78/18/90/627781890.db2.gz MZZLZKSBQJYDJO-QLIIJSOBSA-N 2 1 310.441 3.442 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000925739656 627785378 /nfs/dbraw/zinc/78/53/78/627785378.db2.gz CCKFHWBRVGFUKQ-GFCCVEGCSA-N 2 1 315.230 3.293 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCCC13CCCCC3)C2 ZINC000925750362 627787623 /nfs/dbraw/zinc/78/76/23/627787623.db2.gz QQVLWDLRYCWAKR-OAHLLOKOSA-N 2 1 305.491 3.463 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000925786913 627795392 /nfs/dbraw/zinc/79/53/92/627795392.db2.gz XWWZPOFZQHTNBD-FZMZJTMJSA-N 2 1 300.780 3.162 20 0 DGADMP Cc1ccc([C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793573 627796204 /nfs/dbraw/zinc/79/62/04/627796204.db2.gz FNPKPSPUPJSJAY-OALUTQOASA-N 2 1 314.473 3.194 20 0 DGADMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796261 627797157 /nfs/dbraw/zinc/79/71/57/627797157.db2.gz LQRNGKILGUSILU-BBWFWOEESA-N 2 1 308.510 3.340 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)no1 ZINC000925810510 627798174 /nfs/dbraw/zinc/79/81/74/627798174.db2.gz ALPPEQMQBLNEFE-HIFRSBDPSA-N 2 1 308.385 3.204 20 0 DGADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)n1)CCCC2 ZINC000925807487 627798236 /nfs/dbraw/zinc/79/82/36/627798236.db2.gz VIHJIEQPCLYXIE-GBESFXJTSA-N 2 1 313.489 3.361 20 0 DGADMP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCCN1 ZINC000925821710 627801058 /nfs/dbraw/zinc/80/10/58/627801058.db2.gz HWRFIOATMZYRQA-IAFLDTSXSA-N 2 1 307.526 3.294 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CCCO2 ZINC000925840908 627803967 /nfs/dbraw/zinc/80/39/67/627803967.db2.gz DFYNHHPEFIRZND-KBAYOESNSA-N 2 1 304.409 3.161 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000925842419 627804122 /nfs/dbraw/zinc/80/41/22/627804122.db2.gz JLZFPRMLUBFTBO-NXOUGTEYSA-N 2 1 322.424 3.026 20 0 DGADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925891082 627813138 /nfs/dbraw/zinc/81/31/38/627813138.db2.gz RSKUAMNSVCPLIA-WLRLJWMZSA-N 2 1 322.452 3.118 20 0 DGADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000926118756 627847168 /nfs/dbraw/zinc/84/71/68/627847168.db2.gz BTRNAJCMBFBEPM-RAUXBKROSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118756 627847173 /nfs/dbraw/zinc/84/71/73/627847173.db2.gz BTRNAJCMBFBEPM-RAUXBKROSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118756 627847178 /nfs/dbraw/zinc/84/71/78/627847178.db2.gz BTRNAJCMBFBEPM-RAUXBKROSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118756 627847183 /nfs/dbraw/zinc/84/71/83/627847183.db2.gz BTRNAJCMBFBEPM-RAUXBKROSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926118756 627847188 /nfs/dbraw/zinc/84/71/88/627847188.db2.gz BTRNAJCMBFBEPM-RAUXBKROSA-N 2 1 319.537 3.246 20 0 DGADMP C[C@@H](O)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926124897 627847984 /nfs/dbraw/zinc/84/79/84/627847984.db2.gz HGKFRZMSALEVPB-SVPXJYONSA-N 2 1 316.489 3.321 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)cc1 ZINC000926204060 627861410 /nfs/dbraw/zinc/86/14/10/627861410.db2.gz QRGRBQYTNCYNOJ-LJQANCHMSA-N 2 1 306.413 3.045 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926324920 627880224 /nfs/dbraw/zinc/88/02/24/627880224.db2.gz HOINWYIOOIIMPF-OVZGMEQFSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000926354214 627883543 /nfs/dbraw/zinc/88/35/43/627883543.db2.gz OBCSGBYGPSBLAS-CUDHKJQZSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926571884 627916682 /nfs/dbraw/zinc/91/66/82/627916682.db2.gz AEFGKIKTKYQUKV-IRXDYDNUSA-N 3 1 303.494 3.131 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739404 627944587 /nfs/dbraw/zinc/94/45/87/627944587.db2.gz RITNWZNEHOWFEZ-WBVHZDCISA-N 2 1 316.493 3.381 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCC2)c1 ZINC000926739404 627944590 /nfs/dbraw/zinc/94/45/90/627944590.db2.gz RITNWZNEHOWFEZ-WBVHZDCISA-N 2 1 316.493 3.381 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926753168 627946674 /nfs/dbraw/zinc/94/66/74/627946674.db2.gz FQFBZIIDHJIJIC-XJKSGUPXSA-N 2 1 308.853 3.233 20 0 DGADMP COc1cccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)oc21 ZINC000817866011 627951812 /nfs/dbraw/zinc/95/18/12/627951812.db2.gz RXYGEMFURTYESU-YDHLFZDLSA-N 2 1 302.418 3.247 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)c2ccccc21 ZINC000817905331 627958021 /nfs/dbraw/zinc/95/80/21/627958021.db2.gz FXTLIJYDWORNOL-OWCLPIDISA-N 2 1 320.795 3.247 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000817906001 627958222 /nfs/dbraw/zinc/95/82/22/627958222.db2.gz WUZIIRVLAZIJIR-RBSFLKMASA-N 2 1 317.260 3.276 20 0 DGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817914268 627960405 /nfs/dbraw/zinc/96/04/05/627960405.db2.gz XPPUJKTUZRPUMN-MEYUZBJRSA-N 2 1 302.443 3.295 20 0 DGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C1CC3(C1)CCCCC3)C2 ZINC000926879360 627968686 /nfs/dbraw/zinc/96/86/86/627968686.db2.gz KBWUNUWGZIIKIQ-SOAMZJECSA-N 2 1 320.521 3.169 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1SC(F)F ZINC000817961089 627975758 /nfs/dbraw/zinc/97/57/58/627975758.db2.gz UNJITEVISWVTLW-JOYOIKCWSA-N 2 1 316.417 3.398 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000926923195 627982112 /nfs/dbraw/zinc/98/21/12/627982112.db2.gz OJKHKNSKTCNDMD-IHPCNDPISA-N 2 1 309.457 3.240 20 0 DGADMP C1CC[C@H]2CC[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C[C@H]2C1 ZINC000817983262 627983261 /nfs/dbraw/zinc/98/32/61/627983261.db2.gz LGLXTRFZGWUZCI-XDPIZLSQSA-N 2 1 319.537 3.151 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)nc1 ZINC000817986521 627984405 /nfs/dbraw/zinc/98/44/05/627984405.db2.gz QXMLXFFELLXGFW-YPMHNXCESA-N 2 1 324.266 3.169 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(-c2ccccc2)c1 ZINC000817986497 627984428 /nfs/dbraw/zinc/98/44/28/627984428.db2.gz QQMULWUTFSYOGS-WBVHZDCISA-N 2 1 310.445 3.198 20 0 DGADMP FC1(F)[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000926975654 627992040 /nfs/dbraw/zinc/99/20/40/627992040.db2.gz DBJDFNVKOGDZQA-IRXDYDNUSA-N 2 1 306.400 3.252 20 0 DGADMP CC1([NH+]2CCC2)CCC([NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000927035879 628001285 /nfs/dbraw/zinc/00/12/85/628001285.db2.gz CMLGLODHZWNODP-ZVPLMURMSA-N 2 1 318.436 3.455 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(c3ccccc3)CCCO2)[C@H](C)C1 ZINC000927114521 628018604 /nfs/dbraw/zinc/01/86/04/628018604.db2.gz GJIUDNMMKSDVKG-NZSAHSFTSA-N 2 1 302.462 3.012 20 0 DGADMP Cc1ccccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000818960231 628067145 /nfs/dbraw/zinc/06/71/45/628067145.db2.gz DWJRWYZICIVSLN-QKLQHJQFSA-N 2 1 318.505 3.376 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCCC2 ZINC000820812870 628299730 /nfs/dbraw/zinc/29/97/30/628299730.db2.gz UPHYLZXTSYZHQL-FWCIAMDOSA-N 2 1 318.505 3.472 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820815327 628300156 /nfs/dbraw/zinc/30/01/56/628300156.db2.gz ROVLTLOFNFYTAL-RFXRPKLXSA-N 2 1 312.457 3.430 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000821385850 628362496 /nfs/dbraw/zinc/36/24/96/628362496.db2.gz HERQEZFNFFVBDO-LMDPOFIKSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821385850 628362499 /nfs/dbraw/zinc/36/24/99/628362499.db2.gz HERQEZFNFFVBDO-LMDPOFIKSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821385850 628362501 /nfs/dbraw/zinc/36/25/01/628362501.db2.gz HERQEZFNFFVBDO-LMDPOFIKSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000824032057 628620725 /nfs/dbraw/zinc/62/07/25/628620725.db2.gz LEUNCEWVCLGWNJ-UHFFFAOYSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827963293 629008901 /nfs/dbraw/zinc/00/89/01/629008901.db2.gz HGJUYLWTKSCLDW-KGLIPLIRSA-N 2 1 323.308 3.003 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)[C@@H]2CCC[C@H]21 ZINC000834893271 629800062 /nfs/dbraw/zinc/80/00/62/629800062.db2.gz NWHYLUGWWPQZCO-IGQOVBAYSA-N 2 1 305.293 3.423 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000102780633 630238982 /nfs/dbraw/zinc/23/89/82/630238982.db2.gz PYPLJGDLYCOUDX-ZDUSSCGKSA-N 2 1 302.340 3.017 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000840888712 630372979 /nfs/dbraw/zinc/37/29/79/630372979.db2.gz NRMUHLWHTPTVDZ-HFFGGIOOSA-N 2 1 300.446 3.014 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H](C[NH3+])C3CCCCC3)oc21 ZINC000841039222 630400788 /nfs/dbraw/zinc/40/07/88/630400788.db2.gz GAEKVTIOFQHHII-MRXNPFEDSA-N 2 1 302.418 3.439 20 0 DGADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841051708 630402442 /nfs/dbraw/zinc/40/24/42/630402442.db2.gz QTBPCRILJGTTLS-CYBMUJFWSA-N 2 1 320.868 3.278 20 0 DGADMP CCn1cncc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000841860808 630471898 /nfs/dbraw/zinc/47/18/98/630471898.db2.gz YJOSZAZORGRPJE-UHFFFAOYSA-N 2 1 304.482 3.037 20 0 DGADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCCCCCC[NH3+])CC2 ZINC000842477626 630540065 /nfs/dbraw/zinc/54/00/65/630540065.db2.gz BJQGCYBKHLWNPK-UHFFFAOYSA-N 2 1 302.462 3.199 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055961 630609309 /nfs/dbraw/zinc/60/93/09/630609309.db2.gz SWOQQCDJFKJGAM-UHFFFAOYSA-N 3 1 317.521 3.346 20 0 DGADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000843055961 630609311 /nfs/dbraw/zinc/60/93/11/630609311.db2.gz SWOQQCDJFKJGAM-UHFFFAOYSA-N 3 1 317.521 3.346 20 0 DGADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000843055961 630609314 /nfs/dbraw/zinc/60/93/14/630609314.db2.gz SWOQQCDJFKJGAM-UHFFFAOYSA-N 3 1 317.521 3.346 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055961 630609316 /nfs/dbraw/zinc/60/93/16/630609316.db2.gz SWOQQCDJFKJGAM-UHFFFAOYSA-N 3 1 317.521 3.346 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055961 630609317 /nfs/dbraw/zinc/60/93/17/630609317.db2.gz SWOQQCDJFKJGAM-UHFFFAOYSA-N 3 1 317.521 3.346 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000843126473 630616456 /nfs/dbraw/zinc/61/64/56/630616456.db2.gz GLGVYFQYPXRSDV-PKOBYXMFSA-N 3 1 303.494 3.148 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000843126473 630616458 /nfs/dbraw/zinc/61/64/58/630616458.db2.gz GLGVYFQYPXRSDV-PKOBYXMFSA-N 3 1 303.494 3.148 20 0 DGADMP CCCCn1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1Cl ZINC000843127205 630616894 /nfs/dbraw/zinc/61/68/94/630616894.db2.gz BUXFZDCDEIQAND-UHFFFAOYSA-N 2 1 320.868 3.394 20 0 DGADMP C[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CCC([NH3+])CC1 ZINC000843354822 630648966 /nfs/dbraw/zinc/64/89/66/630648966.db2.gz HMJGSKQELVEPGA-UHFFFAOYSA-N 2 1 318.852 3.227 20 0 DGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000843358857 630649497 /nfs/dbraw/zinc/64/94/97/630649497.db2.gz WNOKQIAIDZVMLC-OAHLLOKOSA-N 2 1 311.267 3.066 20 0 DGADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1SC(F)(F)F ZINC000843368505 630650411 /nfs/dbraw/zinc/65/04/11/630650411.db2.gz VNHLDOFVMDCHQK-UHFFFAOYSA-N 2 1 320.380 3.278 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1SC(F)(F)F ZINC000843386952 630651332 /nfs/dbraw/zinc/65/13/32/630651332.db2.gz DSBIUPFTYFGHNJ-UHFFFAOYSA-N 2 1 320.380 3.229 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1SC(F)(F)F ZINC000843386952 630651336 /nfs/dbraw/zinc/65/13/36/630651336.db2.gz DSBIUPFTYFGHNJ-UHFFFAOYSA-N 2 1 320.380 3.229 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386993 630651757 /nfs/dbraw/zinc/65/17/57/630651757.db2.gz PINWXGRQTXYBRR-MJBXVCDLSA-N 2 1 305.293 3.282 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000844221856 630713013 /nfs/dbraw/zinc/71/30/13/630713013.db2.gz NEUQOAYMPAWNNW-UHFFFAOYSA-N 2 1 321.484 3.243 20 0 DGADMP FC1(F)[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]21 ZINC000844464010 630732526 /nfs/dbraw/zinc/73/25/26/630732526.db2.gz UYGMVIDLTJKNHZ-CALCHBBNSA-N 2 1 306.400 3.369 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000846219785 631214586 /nfs/dbraw/zinc/21/45/86/631214586.db2.gz XFSSAAWPSWYQTL-UHFFFAOYSA-N 2 1 306.294 3.322 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000846218277 631215333 /nfs/dbraw/zinc/21/53/33/631215333.db2.gz PCQQRAGUAQDLQH-INIZCTEOSA-N 2 1 304.434 3.114 20 0 DGADMP CCC[N@@H+](CCCCCC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000846217139 631215385 /nfs/dbraw/zinc/21/53/85/631215385.db2.gz ATFHAEHISPSGCR-INIZCTEOSA-N 2 1 306.450 3.058 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000846220721 631215658 /nfs/dbraw/zinc/21/56/58/631215658.db2.gz NSLMEBPGNBYAPE-CYBMUJFWSA-N 2 1 318.387 3.058 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000846220722 631215680 /nfs/dbraw/zinc/21/56/80/631215680.db2.gz NSLMEBPGNBYAPE-ZDUSSCGKSA-N 2 1 318.387 3.058 20 0 DGADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000846219950 631215685 /nfs/dbraw/zinc/21/56/85/631215685.db2.gz DJMLAPLIVZBCPW-SFHVURJKSA-N 2 1 318.440 3.100 20 0 DGADMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCCC[C@@H]1C ZINC000848987231 631798095 /nfs/dbraw/zinc/79/80/95/631798095.db2.gz NIHNKIXWJZTHTJ-RYUDHWBXSA-N 2 1 310.392 3.164 20 0 DGADMP C[C@H]1C[C@H](CCNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000848989446 631798912 /nfs/dbraw/zinc/79/89/12/631798912.db2.gz QVCRHSCWVCKIJA-RDJZCZTQSA-N 2 1 316.493 3.200 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000848992816 631800474 /nfs/dbraw/zinc/80/04/74/631800474.db2.gz WXWKQZWZVCEQPB-CABCVRRESA-N 2 1 302.466 3.478 20 0 DGADMP C[C@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C ZINC000848996611 631801226 /nfs/dbraw/zinc/80/12/26/631801226.db2.gz KISTVPJCGHMIRH-ZJUUUORDSA-N 2 1 317.264 3.118 20 0 DGADMP CCCCCCNC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849058509 631822327 /nfs/dbraw/zinc/82/23/27/631822327.db2.gz DFCUNUFBAVABDI-CALCHBBNSA-N 2 1 310.530 3.439 20 0 DGADMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000849063603 631824001 /nfs/dbraw/zinc/82/40/01/631824001.db2.gz KMAQCHQCXZBDEB-LBPRGKRZSA-N 2 1 324.856 3.015 20 0 DGADMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000849063601 631824337 /nfs/dbraw/zinc/82/43/37/631824337.db2.gz KMAQCHQCXZBDEB-GFCCVEGCSA-N 2 1 324.856 3.015 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000849102119 631836047 /nfs/dbraw/zinc/83/60/47/631836047.db2.gz XLAQWWRVEXVEGH-KRWDZBQOSA-N 2 1 324.472 3.129 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000849102119 631836052 /nfs/dbraw/zinc/83/60/52/631836052.db2.gz XLAQWWRVEXVEGH-KRWDZBQOSA-N 2 1 324.472 3.129 20 0 DGADMP Cc1cc[nH+]c(NCc2ncc(C[NH+](C)C)s2)c1C1CC1 ZINC000849347512 631899828 /nfs/dbraw/zinc/89/98/28/631899828.db2.gz MNTAYNXYFFYGNC-UHFFFAOYSA-N 2 1 302.447 3.398 20 0 DGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc2ccccc21 ZINC000850360128 632124994 /nfs/dbraw/zinc/12/49/94/632124994.db2.gz CENRIQTYFJLCBL-SQGPQFPESA-N 2 1 310.441 3.090 20 0 DGADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850431535 632151144 /nfs/dbraw/zinc/15/11/44/632151144.db2.gz YFWSLLQCSKVJHR-SFHVURJKSA-N 2 1 316.493 3.352 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850506933 632174314 /nfs/dbraw/zinc/17/43/14/632174314.db2.gz CPTQANYMDZWDDA-YJBOKZPZSA-N 2 1 304.478 3.168 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000850514455 632176321 /nfs/dbraw/zinc/17/63/21/632176321.db2.gz FWYNESNEUBBFOW-BURNTYAHSA-N 2 1 324.468 3.336 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000850516575 632177248 /nfs/dbraw/zinc/17/72/48/632177248.db2.gz MTNAAEQLLSRVAT-RYGJVYDSSA-N 2 1 312.457 3.193 20 0 DGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850575377 632200301 /nfs/dbraw/zinc/20/03/01/632200301.db2.gz VALCVUZFUOCOQK-IRXDYDNUSA-N 2 1 310.869 3.082 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851774688 632488722 /nfs/dbraw/zinc/48/87/22/632488722.db2.gz ZNMHAKYQKHTMJG-FGTMMUONSA-N 2 1 324.509 3.114 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851774688 632488724 /nfs/dbraw/zinc/48/87/24/632488724.db2.gz ZNMHAKYQKHTMJG-FGTMMUONSA-N 2 1 324.509 3.114 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOC(F)F)CCN1Cc1ccccc1 ZINC000851804062 632498937 /nfs/dbraw/zinc/49/89/37/632498937.db2.gz XQXIJZLIJLBMFE-HOCLYGCPSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000851804062 632498944 /nfs/dbraw/zinc/49/89/44/632498944.db2.gz XQXIJZLIJLBMFE-HOCLYGCPSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000851804062 632498948 /nfs/dbraw/zinc/49/89/48/632498948.db2.gz XQXIJZLIJLBMFE-HOCLYGCPSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC(F)F)CCN1Cc1ccccc1 ZINC000851804060 632499274 /nfs/dbraw/zinc/49/92/74/632499274.db2.gz XQXIJZLIJLBMFE-GDBMZVCRSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000851804060 632499277 /nfs/dbraw/zinc/49/92/77/632499277.db2.gz XQXIJZLIJLBMFE-GDBMZVCRSA-N 2 1 312.404 3.211 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000851804060 632499279 /nfs/dbraw/zinc/49/92/79/632499279.db2.gz XQXIJZLIJLBMFE-GDBMZVCRSA-N 2 1 312.404 3.211 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000852040523 632542965 /nfs/dbraw/zinc/54/29/65/632542965.db2.gz LVIBTAXAGDRKBI-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040523 632542969 /nfs/dbraw/zinc/54/29/69/632542969.db2.gz LVIBTAXAGDRKBI-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000852040523 632542974 /nfs/dbraw/zinc/54/29/74/632542974.db2.gz LVIBTAXAGDRKBI-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@](O)(CC)C(F)(F)F)CC1 ZINC000929297688 661295340 /nfs/dbraw/zinc/29/53/40/661295340.db2.gz QNWXNFLRDVHFNL-OAHLLOKOSA-N 2 1 324.431 3.134 20 0 DGADMP [NH3+]CCC[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000423504669 660490959 /nfs/dbraw/zinc/49/09/59/660490959.db2.gz NRNGLDMBZBHGEP-FQEVSTJZSA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)CC[C@@H]1C(F)(F)F ZINC000700773410 660636073 /nfs/dbraw/zinc/63/60/73/660636073.db2.gz KIWMSUWIGFLKBU-UTLUCORTSA-N 2 1 319.198 3.029 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@@H]1C(F)(F)F ZINC000700773410 660636074 /nfs/dbraw/zinc/63/60/74/660636074.db2.gz KIWMSUWIGFLKBU-UTLUCORTSA-N 2 1 319.198 3.029 20 0 DGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250727 660727744 /nfs/dbraw/zinc/72/77/44/660727744.db2.gz RYRSGTXVBDSQEJ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250727 660727746 /nfs/dbraw/zinc/72/77/46/660727746.db2.gz RYRSGTXVBDSQEJ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250727 660727748 /nfs/dbraw/zinc/72/77/48/660727748.db2.gz RYRSGTXVBDSQEJ-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702902586 660747119 /nfs/dbraw/zinc/74/71/19/660747119.db2.gz BASBRJUWXOPCNQ-FUHWJXTLSA-N 2 1 302.462 3.104 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034438558 660754139 /nfs/dbraw/zinc/75/41/39/660754139.db2.gz OQZZKMSOUQILNY-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034438558 660754140 /nfs/dbraw/zinc/75/41/40/660754140.db2.gz OQZZKMSOUQILNY-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034438558 660754142 /nfs/dbraw/zinc/75/41/42/660754142.db2.gz OQZZKMSOUQILNY-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CSC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000706888638 660879562 /nfs/dbraw/zinc/87/95/62/660879562.db2.gz OYORTISAQKQZOI-LTDKPHRXSA-N 2 1 304.503 3.381 20 0 DGADMP CSC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000706888638 660879564 /nfs/dbraw/zinc/87/95/64/660879564.db2.gz OYORTISAQKQZOI-LTDKPHRXSA-N 2 1 304.503 3.381 20 0 DGADMP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000187179926 660964879 /nfs/dbraw/zinc/96/48/79/660964879.db2.gz SJGQLDLFQBCLAI-UHFFFAOYSA-N 2 1 311.813 3.022 20 0 DGADMP CCCCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711726649 660962260 /nfs/dbraw/zinc/96/22/60/660962260.db2.gz RXDLZOBEJGOTBA-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CCCCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711726649 660962261 /nfs/dbraw/zinc/96/22/61/660962261.db2.gz RXDLZOBEJGOTBA-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CCCCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711726649 660962263 /nfs/dbraw/zinc/96/22/63/660962263.db2.gz RXDLZOBEJGOTBA-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CCCCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711726649 660962265 /nfs/dbraw/zinc/96/22/65/660962265.db2.gz RXDLZOBEJGOTBA-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000792969094 660997631 /nfs/dbraw/zinc/99/76/31/660997631.db2.gz JVPIYNFRIHCFLF-IDCJVQTKSA-N 2 1 322.880 3.285 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000792969094 660997632 /nfs/dbraw/zinc/99/76/32/660997632.db2.gz JVPIYNFRIHCFLF-IDCJVQTKSA-N 2 1 322.880 3.285 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)n(C)n1 ZINC000793536742 661043055 /nfs/dbraw/zinc/04/30/55/661043055.db2.gz VCADPOFUDNYSFM-OAHLLOKOSA-N 2 1 304.482 3.176 20 0 DGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2c(c1)CCO2 ZINC000794836420 661108744 /nfs/dbraw/zinc/10/87/44/661108744.db2.gz OCAUENYRNRWRNK-RWBZWWBESA-N 2 1 300.446 3.289 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000050247338 655650431 /nfs/dbraw/zinc/65/04/31/655650431.db2.gz KSEYXCUDBQKEKB-SNVBAGLBSA-N 2 1 305.274 3.366 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000050247338 655650432 /nfs/dbraw/zinc/65/04/32/655650432.db2.gz KSEYXCUDBQKEKB-SNVBAGLBSA-N 2 1 305.274 3.366 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000723697887 655716960 /nfs/dbraw/zinc/71/69/60/655716960.db2.gz DJRLWXZYHTZQGU-SNVBAGLBSA-N 2 1 304.768 3.112 20 0 DGADMP C1CC1[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707623 655935184 /nfs/dbraw/zinc/93/51/84/655935184.db2.gz RRSGQQNOHJIDND-IEBWSBKVSA-N 2 1 306.494 3.188 20 0 DGADMP C1CC1[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000926707623 655935185 /nfs/dbraw/zinc/93/51/85/655935185.db2.gz RRSGQQNOHJIDND-IEBWSBKVSA-N 2 1 306.494 3.188 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000123754497 656183112 /nfs/dbraw/zinc/18/31/12/656183112.db2.gz ZSPPRZVELWUIIR-OAHLLOKOSA-N 2 1 324.538 3.343 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000123754497 656183114 /nfs/dbraw/zinc/18/31/14/656183114.db2.gz ZSPPRZVELWUIIR-OAHLLOKOSA-N 2 1 324.538 3.343 20 0 DGADMP C[C@]1(C[NH2+]C[C@H](O)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310091108 656209587 /nfs/dbraw/zinc/20/95/87/656209587.db2.gz RDVRSMGOGYVFMD-LEWJYISDSA-N 2 1 324.468 3.222 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)oc21 ZINC000314868467 656532197 /nfs/dbraw/zinc/53/21/97/656532197.db2.gz FWPAQKVJNHUIRJ-CQSZACIVSA-N 2 1 302.418 3.261 20 0 DGADMP COc1cccc2cc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)oc21 ZINC000314868467 656532199 /nfs/dbraw/zinc/53/21/99/656532199.db2.gz FWPAQKVJNHUIRJ-CQSZACIVSA-N 2 1 302.418 3.261 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052860834 656777793 /nfs/dbraw/zinc/77/77/93/656777793.db2.gz XRHBXJUFQATECB-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052860834 656777797 /nfs/dbraw/zinc/77/77/97/656777797.db2.gz XRHBXJUFQATECB-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052860834 656777799 /nfs/dbraw/zinc/77/77/99/656777799.db2.gz XRHBXJUFQATECB-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C)c(C(=O)NCC2=CC[N@@H+](CC(C)C)CC2)c(C)n1 ZINC001000984619 657171193 /nfs/dbraw/zinc/17/11/93/657171193.db2.gz KLUSFFMDNKSKOT-UHFFFAOYSA-N 2 1 315.461 3.025 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262052354 657301009 /nfs/dbraw/zinc/30/10/09/657301009.db2.gz QHXKHZZMEYPSHX-UHFFFAOYSA-N 2 1 310.441 3.424 20 0 DGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000262068721 657306213 /nfs/dbraw/zinc/30/62/13/657306213.db2.gz RVUZHAHKPZTAKO-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000067453189 657391831 /nfs/dbraw/zinc/39/18/31/657391831.db2.gz UNYCIUFEPCZFLG-HDICACEKSA-N 2 1 304.478 3.282 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)co2)cc1 ZINC000262139502 657399662 /nfs/dbraw/zinc/39/96/62/657399662.db2.gz YYBIRVXYLAYLCH-UHFFFAOYSA-N 2 1 311.429 3.226 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425423 658516655 /nfs/dbraw/zinc/51/66/55/658516655.db2.gz MZKJQWQXNDIKOC-CVEARBPZSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000322425423 658516662 /nfs/dbraw/zinc/51/66/62/658516662.db2.gz MZKJQWQXNDIKOC-CVEARBPZSA-N 2 1 310.445 3.007 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000174217259 659420471 /nfs/dbraw/zinc/42/04/71/659420471.db2.gz MSCWHTSZSVESTH-YOEHRIQHSA-N 2 1 310.869 3.037 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000174217259 659420474 /nfs/dbraw/zinc/42/04/74/659420474.db2.gz MSCWHTSZSVESTH-YOEHRIQHSA-N 2 1 310.869 3.037 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000324028133 659480984 /nfs/dbraw/zinc/48/09/84/659480984.db2.gz PCFNLELDALZBPT-UHFFFAOYSA-N 2 1 303.494 3.104 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCC2(CC2)CC1 ZINC000930061080 659902252 /nfs/dbraw/zinc/90/22/52/659902252.db2.gz PUWCFEQWRFNKSJ-KURKYZTESA-N 2 1 306.494 3.140 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C[C@H]1C[NH3+] ZINC000253183475 660030445 /nfs/dbraw/zinc/03/04/45/660030445.db2.gz GNSGLQZIRXOXLY-IUODEOHRSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C[C@H]1C[NH3+] ZINC000253183475 660030449 /nfs/dbraw/zinc/03/04/49/660030449.db2.gz GNSGLQZIRXOXLY-IUODEOHRSA-N 2 1 303.837 3.305 20 0 DGADMP c1cc(SCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000929691137 661329319 /nfs/dbraw/zinc/32/93/19/661329319.db2.gz YRUIBOKUWQMVMX-MRXNPFEDSA-N 2 1 305.491 3.124 20 0 DGADMP c1cc(SCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000929691137 661329321 /nfs/dbraw/zinc/32/93/21/661329321.db2.gz YRUIBOKUWQMVMX-MRXNPFEDSA-N 2 1 305.491 3.124 20 0 DGADMP CCN1CC[C@H]([N@@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)C[C@@H]1C ZINC000929782514 661337682 /nfs/dbraw/zinc/33/76/82/661337682.db2.gz VVKXMVRINGDLCB-ZOBUZTSGSA-N 2 1 318.461 3.016 20 0 DGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCOC2CC2)CC3)cc1 ZINC000930139197 661370371 /nfs/dbraw/zinc/37/03/71/661370371.db2.gz SWFBOGSJDGUABF-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP c1[nH+]c(C2CC[NH+](CCCc3cccnc3)CC2)n2c1CCCC2 ZINC000930267020 661383414 /nfs/dbraw/zinc/38/34/14/661383414.db2.gz PDMMXCMYDVFILF-UHFFFAOYSA-N 2 1 324.472 3.427 20 0 DGADMP CCCC[N@@H+](CC(OC)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034211 661446888 /nfs/dbraw/zinc/44/68/88/661446888.db2.gz QLVQVPLRCZSGJY-UHFFFAOYSA-N 2 1 300.487 3.017 20 0 DGADMP CC(C)C[N@H+](Cc1nc(C(C)C)ns1)CC1CC[NH+](C)CC1 ZINC000931561345 661488697 /nfs/dbraw/zinc/48/86/97/661488697.db2.gz HKJNXXGRVFVZMM-UHFFFAOYSA-N 2 1 324.538 3.461 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000931703650 661499997 /nfs/dbraw/zinc/49/99/97/661499997.db2.gz LSLORRREJOYOSP-LSDHHAIUSA-N 2 1 322.415 3.294 20 0 DGADMP Cc1nnsc1[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748039 661504845 /nfs/dbraw/zinc/50/48/45/661504845.db2.gz HMJPPUJORKMWCK-LBPRGKRZSA-N 2 1 305.451 3.127 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933654555 661648691 /nfs/dbraw/zinc/64/86/91/661648691.db2.gz AZDMJXSDZIPKBA-FQEVSTJZSA-N 2 1 323.440 3.293 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933654555 661648692 /nfs/dbraw/zinc/64/86/92/661648692.db2.gz AZDMJXSDZIPKBA-FQEVSTJZSA-N 2 1 323.440 3.293 20 0 DGADMP C[C@H](CCSc1ccccc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735341 661654736 /nfs/dbraw/zinc/65/47/36/661654736.db2.gz HNPJDKBYFVWWMI-SOLBZPMBSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735341 661654738 /nfs/dbraw/zinc/65/47/38/661654738.db2.gz HNPJDKBYFVWWMI-SOLBZPMBSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735341 661654739 /nfs/dbraw/zinc/65/47/39/661654739.db2.gz HNPJDKBYFVWWMI-SOLBZPMBSA-N 2 1 304.503 3.441 20 0 DGADMP C[C@H](CCSc1ccccc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735341 661654740 /nfs/dbraw/zinc/65/47/40/661654740.db2.gz HNPJDKBYFVWWMI-SOLBZPMBSA-N 2 1 304.503 3.441 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CC[NH2+]C(C)(C)C)c2C1 ZINC000934999078 661753393 /nfs/dbraw/zinc/75/33/93/661753393.db2.gz DBBNJMSWOWFZQH-UHFFFAOYSA-N 2 1 317.477 3.375 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc3c(c2)CCO3)C1 ZINC000246920042 662291033 /nfs/dbraw/zinc/29/10/33/662291033.db2.gz GRDSXEPPGTYXFS-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)oc21 ZINC000093597308 662357743 /nfs/dbraw/zinc/35/77/43/662357743.db2.gz ISPIPLYNCYOVJB-HNNXBMFYSA-N 2 1 314.429 3.359 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)oc21 ZINC000093597308 662357746 /nfs/dbraw/zinc/35/77/46/662357746.db2.gz ISPIPLYNCYOVJB-HNNXBMFYSA-N 2 1 314.429 3.359 20 0 DGADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379633375 685149000 /nfs/dbraw/zinc/14/90/00/685149000.db2.gz UERWLFSLGXZEKG-FUHWJXTLSA-N 2 1 304.478 3.444 20 0 DGADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379633375 685149008 /nfs/dbraw/zinc/14/90/08/685149008.db2.gz UERWLFSLGXZEKG-FUHWJXTLSA-N 2 1 304.478 3.444 20 0 DGADMP CCOC1CC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380893730 685153988 /nfs/dbraw/zinc/15/39/88/685153988.db2.gz BDLNORQXIUANQK-ACBHZAAOSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382087169 685162419 /nfs/dbraw/zinc/16/24/19/685162419.db2.gz XVKJEUMFTRQHGA-HKUYNNGSSA-N 2 1 302.462 3.056 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507812 686670915 /nfs/dbraw/zinc/67/09/15/686670915.db2.gz CAQJIALWLCKNOI-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001620778373 1191849521 /nfs/dbraw/zinc/84/95/21/1191849521.db2.gz QFNSVMHQUPLXSI-BBWFWOEESA-N 2 1 312.498 3.208 20 0 DGADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC1C[NH2+]C1 ZINC001576623693 1191854901 /nfs/dbraw/zinc/85/49/01/1191854901.db2.gz MEFVMPPZKYZUAP-SWLSCSKDSA-N 2 1 323.278 3.236 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC[NH2+]1 ZINC001576623258 1191855622 /nfs/dbraw/zinc/85/56/22/1191855622.db2.gz IZFAWSYJEQXZRP-CJNGLKHVSA-N 2 1 315.392 3.243 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cncc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001576638195 1191858384 /nfs/dbraw/zinc/85/83/84/1191858384.db2.gz OPKZRVXUTMFUGE-LBPRGKRZSA-N 2 1 313.367 3.064 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC001620779828 1191861960 /nfs/dbraw/zinc/86/19/60/1191861960.db2.gz PYBKTUBPOADNDX-GOSISDBHSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CC[C@@H]1[NH3+] ZINC001576808338 1191870375 /nfs/dbraw/zinc/87/03/75/1191870375.db2.gz BCCDSJLESOTOJA-HZMBPMFUSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CC[C@@H]1[NH3+] ZINC001576808338 1191870377 /nfs/dbraw/zinc/87/03/77/1191870377.db2.gz BCCDSJLESOTOJA-HZMBPMFUSA-N 2 1 323.234 3.364 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC001576939186 1191875749 /nfs/dbraw/zinc/87/57/49/1191875749.db2.gz QEJHIZZYCPZRLY-IRXDYDNUSA-N 2 1 305.466 3.017 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC001576939186 1191875751 /nfs/dbraw/zinc/87/57/51/1191875751.db2.gz QEJHIZZYCPZRLY-IRXDYDNUSA-N 2 1 305.466 3.017 20 0 DGADMP CCCc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC001577608453 1191909148 /nfs/dbraw/zinc/90/91/48/1191909148.db2.gz DSCNDVHLRYUELI-GWCFXTLKSA-N 2 1 306.397 3.270 20 0 DGADMP CCCc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC001577608453 1191909149 /nfs/dbraw/zinc/90/91/49/1191909149.db2.gz DSCNDVHLRYUELI-GWCFXTLKSA-N 2 1 306.397 3.270 20 0 DGADMP CC[N@@H+](Cc1nc2c(s1)C[NH2+]CC2)[C@@H](C)Cc1ccsc1 ZINC001577742723 1191914410 /nfs/dbraw/zinc/91/44/10/1191914410.db2.gz FKSUZHZBBJQETK-LBPRGKRZSA-N 2 1 321.515 3.303 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001577939234 1191919412 /nfs/dbraw/zinc/91/94/12/1191919412.db2.gz AKNDGEMJRWBFMM-MRXNPFEDSA-N 2 1 324.509 3.339 20 0 DGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC001578423073 1191942327 /nfs/dbraw/zinc/94/23/27/1191942327.db2.gz ONVWGAHGZCYZEZ-LBPRGKRZSA-N 2 1 316.276 3.291 20 0 DGADMP C[N@@H+](CCSc1ccnc2cc(Cl)ccc21)C1CC([NH3+])C1 ZINC001578478945 1191945556 /nfs/dbraw/zinc/94/55/56/1191945556.db2.gz YRRMJJRNGKRCJZ-UHFFFAOYSA-N 2 1 321.877 3.402 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001578627918 1191950245 /nfs/dbraw/zinc/95/02/45/1191950245.db2.gz YBOXHOWNJKQQCS-JTQLQIEISA-N 2 1 311.401 3.033 20 0 DGADMP COC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC001578885826 1191960649 /nfs/dbraw/zinc/96/06/49/1191960649.db2.gz YJJUSJNKIPKZET-OAHLLOKOSA-N 2 1 322.474 3.018 20 0 DGADMP COC(=O)c1csc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC001578885826 1191960650 /nfs/dbraw/zinc/96/06/50/1191960650.db2.gz YJJUSJNKIPKZET-OAHLLOKOSA-N 2 1 322.474 3.018 20 0 DGADMP COCC[C@H]([NH3+])C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001579000568 1191963764 /nfs/dbraw/zinc/96/37/64/1191963764.db2.gz XMQOOGVLYHFHBY-HNNXBMFYSA-N 2 1 318.383 3.280 20 0 DGADMP COCC[C@H]([NH3+])C[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001579000568 1191963766 /nfs/dbraw/zinc/96/37/66/1191963766.db2.gz XMQOOGVLYHFHBY-HNNXBMFYSA-N 2 1 318.383 3.280 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001578970308 1191964182 /nfs/dbraw/zinc/96/41/82/1191964182.db2.gz QRZGQYGGLRXCNY-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001578970308 1191964186 /nfs/dbraw/zinc/96/41/86/1191964186.db2.gz QRZGQYGGLRXCNY-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP COc1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc2ccccc21 ZINC001579149431 1191967155 /nfs/dbraw/zinc/96/71/55/1191967155.db2.gz WODYDTHOJKBKND-BGYRXZFFSA-N 2 1 310.441 3.280 20 0 DGADMP COc1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc2ccccc21 ZINC001579149431 1191967158 /nfs/dbraw/zinc/96/71/58/1191967158.db2.gz WODYDTHOJKBKND-BGYRXZFFSA-N 2 1 310.441 3.280 20 0 DGADMP COc1ccc([C@@H](C)CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001579192803 1191968443 /nfs/dbraw/zinc/96/84/43/1191968443.db2.gz JQNAKLCGRYDEOA-AAEUAGOBSA-N 2 1 304.356 3.058 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001579393541 1191975593 /nfs/dbraw/zinc/97/55/93/1191975593.db2.gz ZAEBTFXSUSLMHP-GOSISDBHSA-N 2 1 320.502 3.253 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001579889715 1191998590 /nfs/dbraw/zinc/99/85/90/1191998590.db2.gz WQDCXZYITHTWTD-AWEZNQCLSA-N 2 1 304.482 3.045 20 0 DGADMP FC1(F)CC(C[N@H+]2Cc3ccccc3OC3(CC[NH2+]CC3)C2)C1 ZINC001580024122 1192003052 /nfs/dbraw/zinc/00/30/52/1192003052.db2.gz QFMKOJMIIKGRGN-UHFFFAOYSA-N 2 1 322.399 3.049 20 0 DGADMP Fc1cccc(CC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C2CCCC2)c1 ZINC001580033175 1192003969 /nfs/dbraw/zinc/00/39/69/1192003969.db2.gz BDSGSGDQGYJKAX-QFBILLFUSA-N 2 1 302.437 3.222 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCc2ccccn2)C1)C1CCCC1 ZINC001580126139 1192008566 /nfs/dbraw/zinc/00/85/66/1192008566.db2.gz GBJGNZBATYBBJZ-QFBILLFUSA-N 2 1 301.478 3.244 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)CC(F)(F)F ZINC001580131563 1192009217 /nfs/dbraw/zinc/00/92/17/1192009217.db2.gz FDZZBSCBWVNTHB-SOCHQFKDSA-N 2 1 310.722 3.204 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)CC(F)(F)F ZINC001580131564 1192009271 /nfs/dbraw/zinc/00/92/71/1192009271.db2.gz FDZZBSCBWVNTHB-VAOFZXAKSA-N 2 1 310.722 3.204 20 0 DGADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CCCC1 ZINC001580228757 1192015131 /nfs/dbraw/zinc/01/51/31/1192015131.db2.gz FBFPGTXPNMEUCE-CABCVRRESA-N 2 1 317.260 3.134 20 0 DGADMP [NH3+]Cc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC001580339976 1192022321 /nfs/dbraw/zinc/02/23/21/1192022321.db2.gz ZIJFMSUYXCCLEG-HXUWFJFHSA-N 2 1 315.505 3.280 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)cc1 ZINC001580339976 1192022324 /nfs/dbraw/zinc/02/23/24/1192022324.db2.gz ZIJFMSUYXCCLEG-HXUWFJFHSA-N 2 1 315.505 3.280 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC001580343013 1192022661 /nfs/dbraw/zinc/02/26/61/1192022661.db2.gz SZMBSIHORMDHAM-HXUWFJFHSA-N 2 1 308.425 3.115 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCc2ccccc2)Cc2cccnc2)C1 ZINC001580387618 1192024952 /nfs/dbraw/zinc/02/49/52/1192024952.db2.gz QUZZQFCREJOBCS-AZUAARDMSA-N 2 1 309.457 3.254 20 0 DGADMP O[C@H](C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1ccccc1 ZINC001580877927 1192043531 /nfs/dbraw/zinc/04/35/31/1192043531.db2.gz HEXJDFMLHWIJOD-GHTZIAJQSA-N 2 1 324.468 3.222 20 0 DGADMP c1ccc(OC[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC001580895229 1192044528 /nfs/dbraw/zinc/04/45/28/1192044528.db2.gz HCWQJJJNAFGJFH-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC001620873241 1192504905 /nfs/dbraw/zinc/50/49/05/1192504905.db2.gz UUMLVZIBRHADJK-ACRUOGEOSA-N 2 1 321.468 3.472 20 0 DGADMP Cc1c(Cl)cccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001620899723 1192563536 /nfs/dbraw/zinc/56/35/36/1192563536.db2.gz MRMDFCFIRITHAH-AWEZNQCLSA-N 2 1 310.869 3.239 20 0 DGADMP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)CC1CC[NH2+]CC1 ZINC000094024467 1176295548 /nfs/dbraw/zinc/29/55/48/1176295548.db2.gz OXXPOUOAZJIKJV-UHFFFAOYSA-N 2 1 318.795 3.373 20 0 DGADMP Cc1sc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1Br ZINC000227764749 1176545427 /nfs/dbraw/zinc/54/54/27/1176545427.db2.gz SPBRSCXJEJOPTH-UHFFFAOYSA-N 2 1 319.312 3.496 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)oc21 ZINC000378905339 1176751677 /nfs/dbraw/zinc/75/16/77/1176751677.db2.gz YSKAIUZCLYEXSO-HUUCEWRRSA-N 2 1 300.402 3.158 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)oc21 ZINC000378905339 1176751681 /nfs/dbraw/zinc/75/16/81/1176751681.db2.gz YSKAIUZCLYEXSO-HUUCEWRRSA-N 2 1 300.402 3.158 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(CC2CCCC2)CC1 ZINC001167826120 1176836246 /nfs/dbraw/zinc/83/62/46/1176836246.db2.gz MMZNXYLCPDUPPB-SFHVURJKSA-N 2 1 309.542 3.305 20 0 DGADMP C[C@H]1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000129888307 1177300369 /nfs/dbraw/zinc/30/03/69/1177300369.db2.gz ZKOHSNUCDAYKIL-HOTGVXAUSA-N 2 1 302.462 3.197 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000386493960 1177406987 /nfs/dbraw/zinc/40/69/87/1177406987.db2.gz UUHODVDYEGXAGN-RTBURBONSA-N 2 1 304.478 3.303 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC001331417578 1178208423 /nfs/dbraw/zinc/20/84/23/1178208423.db2.gz CPEGGYCNACJCLH-GFCCVEGCSA-N 2 1 320.868 3.230 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1Cl ZINC001332095136 1178357107 /nfs/dbraw/zinc/35/71/07/1178357107.db2.gz KCPOQTQKVSWFLT-WMLDXEAASA-N 2 1 323.868 3.248 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1Cl ZINC001332095135 1178357436 /nfs/dbraw/zinc/35/74/36/1178357436.db2.gz KCPOQTQKVSWFLT-RHSMWYFYSA-N 2 1 323.868 3.248 20 0 DGADMP c1cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc(C2CC2)c1 ZINC001332724630 1178483551 /nfs/dbraw/zinc/48/35/51/1178483551.db2.gz MWXIQJMTQPHCFB-UHFFFAOYSA-N 2 1 314.473 3.297 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001333312080 1178586446 /nfs/dbraw/zinc/58/64/46/1178586446.db2.gz JOSQTWRLCGNXEP-ILZDJORESA-N 2 1 316.489 3.271 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001333585549 1178631481 /nfs/dbraw/zinc/63/14/81/1178631481.db2.gz CVSCVNPAAQBOLS-HSALFYBXSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001333585549 1178631485 /nfs/dbraw/zinc/63/14/85/1178631485.db2.gz CVSCVNPAAQBOLS-HSALFYBXSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001333585549 1178631486 /nfs/dbraw/zinc/63/14/86/1178631486.db2.gz CVSCVNPAAQBOLS-HSALFYBXSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001333585549 1178631492 /nfs/dbraw/zinc/63/14/92/1178631492.db2.gz CVSCVNPAAQBOLS-HSALFYBXSA-N 2 1 316.489 3.089 20 0 DGADMP CCOc1ccc2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC001333622106 1178641372 /nfs/dbraw/zinc/64/13/72/1178641372.db2.gz JVAIIKCRIJPUGI-UHFFFAOYSA-N 2 1 322.452 3.289 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cnccc43)C[C@H]2C1 ZINC001333840054 1178683244 /nfs/dbraw/zinc/68/32/44/1178683244.db2.gz CGZYJMWOJHBDPH-QXAKKESOSA-N 2 1 309.457 3.397 20 0 DGADMP Cc1nnsc1[C@@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC001334045325 1178711940 /nfs/dbraw/zinc/71/19/40/1178711940.db2.gz XQPLPHQGGGFWFJ-CQSZACIVSA-N 2 1 319.478 3.296 20 0 DGADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](CC4C[C@H]5CC[C@@H](C4)[NH2+]5)C3)nc2c1 ZINC001334828438 1178809310 /nfs/dbraw/zinc/80/93/10/1178809310.db2.gz OEFGWSRYDQFQQX-IFFAKLHKSA-N 2 1 324.472 3.273 20 0 DGADMP C[C@@H]1CC(CC[N@H+]2CC[NH2+]CCC23CCOCC3)C[C@@H](C)C1 ZINC001335332162 1178896073 /nfs/dbraw/zinc/89/60/73/1178896073.db2.gz WWCHIMVQUSGHFT-IRXDYDNUSA-N 2 1 308.510 3.293 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1Br ZINC001335441728 1178911173 /nfs/dbraw/zinc/91/11/73/1178911173.db2.gz RJDHYEBULKUTOQ-CHWSQXEVSA-N 2 1 324.266 3.073 20 0 DGADMP COCCCC1(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)CCC1 ZINC001335483864 1178918919 /nfs/dbraw/zinc/91/89/19/1178918919.db2.gz SEDNATWXQQEVRK-KRWDZBQOSA-N 2 1 319.493 3.272 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343335936 1179258412 /nfs/dbraw/zinc/25/84/12/1179258412.db2.gz YXPDBPWJAFGQEV-ULQDDVLXSA-N 2 1 324.472 3.100 20 0 DGADMP Cc1ncoc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001350309903 1180049799 /nfs/dbraw/zinc/04/97/99/1180049799.db2.gz NEHKIHQJTLLTRQ-OAHLLOKOSA-N 2 1 305.466 3.460 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc2)cn1 ZINC001350337384 1180055700 /nfs/dbraw/zinc/05/57/00/1180055700.db2.gz BDBDYARMNVQRTK-UHFFFAOYSA-N 2 1 324.472 3.147 20 0 DGADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316064 1193002897 /nfs/dbraw/zinc/00/28/97/1193002897.db2.gz WZUHLEGBCZLUEG-JXFKEZNVSA-N 2 1 313.489 3.185 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(C(C)(C)C)co3)C[C@@H]2C1 ZINC001352114266 1180298620 /nfs/dbraw/zinc/29/86/20/1180298620.db2.gz ZTAQALZIFZYNCC-QLFBSQMISA-N 2 1 305.466 3.134 20 0 DGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@H+](C)CC(C)C ZINC001353326122 1180527799 /nfs/dbraw/zinc/52/77/99/1180527799.db2.gz CIRZFNAJQPPVFJ-UHFFFAOYSA-N 2 1 323.456 3.030 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1C ZINC001353605307 1180604358 /nfs/dbraw/zinc/60/43/58/1180604358.db2.gz RCKMDXKFTQVFPE-UHFFFAOYSA-N 2 1 316.489 3.345 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001353942173 1180690149 /nfs/dbraw/zinc/69/01/49/1180690149.db2.gz AHZLDAGSAKRHEY-HXUWFJFHSA-N 2 1 313.489 3.252 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC001355263667 1181023778 /nfs/dbraw/zinc/02/37/78/1181023778.db2.gz MUGHLCOSBKCIFH-WDEREUQCSA-N 2 1 321.412 3.210 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc(Cl)n1 ZINC001355372984 1181045905 /nfs/dbraw/zinc/04/59/05/1181045905.db2.gz HURLYIBMJSPDOI-ARFHVFGLSA-N 2 1 307.869 3.206 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC001356049484 1181131248 /nfs/dbraw/zinc/13/12/48/1181131248.db2.gz JTTBKKSYVVVCGT-LBPRGKRZSA-N 2 1 315.642 3.171 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC001356049483 1181131392 /nfs/dbraw/zinc/13/13/92/1181131392.db2.gz JTTBKKSYVVVCGT-GFCCVEGCSA-N 2 1 315.642 3.171 20 0 DGADMP C[N@@H+](CCc1cccc(NC(=O)CC[NH2+]C(C)(C)C)c1)C1CC1 ZINC001357871500 1181433773 /nfs/dbraw/zinc/43/37/73/1181433773.db2.gz IXGFCAFWSWRCQQ-UHFFFAOYSA-N 2 1 317.477 3.040 20 0 DGADMP C[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001460090685 1182649985 /nfs/dbraw/zinc/64/99/85/1182649985.db2.gz RUPFQTBESVARDR-WFFDWFOESA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+](C[C@@H]1CC2(CO1)CCCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001460090685 1182649989 /nfs/dbraw/zinc/64/99/89/1182649989.db2.gz RUPFQTBESVARDR-WFFDWFOESA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+](C[C@@H]1CC2(CO1)CCCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001460090685 1182649994 /nfs/dbraw/zinc/64/99/94/1182649994.db2.gz RUPFQTBESVARDR-WFFDWFOESA-N 2 1 306.494 3.283 20 0 DGADMP C[C@H]1C[C@H](CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)C[C@@H](C)C1 ZINC001460292143 1182672886 /nfs/dbraw/zinc/67/28/86/1182672886.db2.gz MRKLKRBMBJKANY-PIIMJCKOSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@@H]1CC(CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)C[C@@H](C)C1 ZINC001460292141 1182673159 /nfs/dbraw/zinc/67/31/59/1182673159.db2.gz MRKLKRBMBJKANY-IRXDYDNUSA-N 2 1 308.510 3.245 20 0 DGADMP CN(CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001460306564 1182676361 /nfs/dbraw/zinc/67/63/61/1182676361.db2.gz VXDCUYKZWZYMQM-UHFFFAOYSA-N 2 1 324.472 3.120 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)CCc1ccccc1 ZINC001460689364 1182708141 /nfs/dbraw/zinc/70/81/41/1182708141.db2.gz ICPHBJOFIOOIDZ-HXUWFJFHSA-N 2 1 318.505 3.178 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC001460895643 1182736474 /nfs/dbraw/zinc/73/64/74/1182736474.db2.gz CBOFTTZJVMGCKG-UHFFFAOYSA-N 2 1 309.454 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC001460895643 1182736479 /nfs/dbraw/zinc/73/64/79/1182736479.db2.gz CBOFTTZJVMGCKG-UHFFFAOYSA-N 2 1 309.454 3.025 20 0 DGADMP C[C@H]1CC[C@](CO)([NH2+]CCC[NH+]2CCCCC2)c2ccccc21 ZINC001460952270 1182745384 /nfs/dbraw/zinc/74/53/84/1182745384.db2.gz UMYCJJRYZUDMAE-FXAWDEMLSA-N 2 1 316.489 3.237 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001461051796 1182760531 /nfs/dbraw/zinc/76/05/31/1182760531.db2.gz NRFCRDNRRVKYJW-RBUKOAKNSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001461051796 1182760538 /nfs/dbraw/zinc/76/05/38/1182760538.db2.gz NRFCRDNRRVKYJW-RBUKOAKNSA-N 2 1 302.462 3.438 20 0 DGADMP CC[N@H+]1CC[C@@H](CNCc2ccccc2OCC(F)(F)F)C1 ZINC001461068873 1182762339 /nfs/dbraw/zinc/76/23/39/1182762339.db2.gz NGMTUUJHWLMBQI-ZDUSSCGKSA-N 2 1 316.367 3.059 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001461068873 1182762345 /nfs/dbraw/zinc/76/23/45/1182762345.db2.gz NGMTUUJHWLMBQI-ZDUSSCGKSA-N 2 1 316.367 3.059 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC001461068873 1182762351 /nfs/dbraw/zinc/76/23/51/1182762351.db2.gz NGMTUUJHWLMBQI-ZDUSSCGKSA-N 2 1 316.367 3.059 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001461058111 1182762483 /nfs/dbraw/zinc/76/24/83/1182762483.db2.gz VXJPSAJQFDABKD-VQIMIIECSA-N 2 1 302.462 3.117 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001461126551 1182771863 /nfs/dbraw/zinc/77/18/63/1182771863.db2.gz BHDAOJUHUZRLKY-UHFFFAOYSA-N 2 1 304.482 3.161 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001461199648 1182780765 /nfs/dbraw/zinc/78/07/65/1182780765.db2.gz ZVBYLWLZZMBGGF-ZHALLVOQSA-N 2 1 308.510 3.436 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sccc2C)[C@@H](C)C1 ZINC001461206027 1182781705 /nfs/dbraw/zinc/78/17/05/1182781705.db2.gz IPRFUIYKGQYUEM-HOTGVXAUSA-N 2 1 310.507 3.283 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(F)c1 ZINC001461669892 1182840423 /nfs/dbraw/zinc/84/04/23/1182840423.db2.gz HKRPDXPPHZNZCB-UHFFFAOYSA-N 2 1 315.436 3.469 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(F)c1 ZINC001461669892 1182840430 /nfs/dbraw/zinc/84/04/30/1182840430.db2.gz HKRPDXPPHZNZCB-UHFFFAOYSA-N 2 1 315.436 3.469 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCCC[NH+]1C ZINC001461806690 1182856211 /nfs/dbraw/zinc/85/62/11/1182856211.db2.gz LWOOTUZGYZMTFL-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCCC[N@@H+]1C ZINC001461806690 1182856217 /nfs/dbraw/zinc/85/62/17/1182856217.db2.gz LWOOTUZGYZMTFL-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCCC[N@H+]1C ZINC001461806690 1182856220 /nfs/dbraw/zinc/85/62/20/1182856220.db2.gz LWOOTUZGYZMTFL-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CN1CCCC[C@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001461806690 1182856226 /nfs/dbraw/zinc/85/62/26/1182856226.db2.gz LWOOTUZGYZMTFL-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CN1CCCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001461806690 1182856228 /nfs/dbraw/zinc/85/62/28/1182856228.db2.gz LWOOTUZGYZMTFL-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001461920792 1182877145 /nfs/dbraw/zinc/87/71/45/1182877145.db2.gz SLKSMLFTGPRWKX-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP CC[C@@](C)(C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001462224850 1182926368 /nfs/dbraw/zinc/92/63/68/1182926368.db2.gz JNTIPLFYBDVNNW-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@](C)(C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001462224850 1182926374 /nfs/dbraw/zinc/92/63/74/1182926374.db2.gz JNTIPLFYBDVNNW-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@@](C)(C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001462224850 1182926379 /nfs/dbraw/zinc/92/63/79/1182926379.db2.gz JNTIPLFYBDVNNW-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@@H+](CCC[NH2+]CC1CC[NH+](CC)CC1)C1CCCCC1 ZINC001462406996 1182949721 /nfs/dbraw/zinc/94/97/21/1182949721.db2.gz GALGIFQFBYPZEN-UHFFFAOYSA-N 3 1 309.542 3.353 20 0 DGADMP COCC[N@@H+](CCc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001462491443 1182961396 /nfs/dbraw/zinc/96/13/96/1182961396.db2.gz NZHZQLNFZRAGTR-UHFFFAOYSA-N 2 1 324.896 3.173 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001462546064 1182967058 /nfs/dbraw/zinc/96/70/58/1182967058.db2.gz CUIFDTMPCNYANN-KPFFTGBYSA-N 2 1 307.441 3.396 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](SCC[NH+]3CCCC3)C2)cc1 ZINC001473049400 1183710244 /nfs/dbraw/zinc/71/02/44/1183710244.db2.gz XFKQAQBYQTUGCG-GOSISDBHSA-N 2 1 304.503 3.480 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccc(C)c2)CC1 ZINC001473111094 1183716894 /nfs/dbraw/zinc/71/68/94/1183716894.db2.gz BNMPACBUUPODSX-FQEVSTJZSA-N 2 1 318.505 3.472 20 0 DGADMP CC[C@]1(C)CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001473185746 1183725613 /nfs/dbraw/zinc/72/56/13/1183725613.db2.gz HWIALLVHVKSYEJ-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185746 1183725616 /nfs/dbraw/zinc/72/56/16/1183725616.db2.gz HWIALLVHVKSYEJ-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473185746 1183725619 /nfs/dbraw/zinc/72/56/19/1183725619.db2.gz HWIALLVHVKSYEJ-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473185746 1183725625 /nfs/dbraw/zinc/72/56/25/1183725625.db2.gz HWIALLVHVKSYEJ-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@]1(C)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473185746 1183725627 /nfs/dbraw/zinc/72/56/27/1183725627.db2.gz HWIALLVHVKSYEJ-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP Cc1cccc(C[C@]2(C)CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC001473686269 1183790382 /nfs/dbraw/zinc/79/03/82/1183790382.db2.gz ACWSKHBSUXOMMO-PMACEKPBSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@]2(C)CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC001473686269 1183790385 /nfs/dbraw/zinc/79/03/85/1183790385.db2.gz ACWSKHBSUXOMMO-PMACEKPBSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1cccc(C[C@]2(C)CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC001473686269 1183790388 /nfs/dbraw/zinc/79/03/88/1183790388.db2.gz ACWSKHBSUXOMMO-PMACEKPBSA-N 2 1 318.505 3.093 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001473757212 1183798764 /nfs/dbraw/zinc/79/87/64/1183798764.db2.gz YRGZRQGNKBGNMW-VQTJNVASSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001473757212 1183798767 /nfs/dbraw/zinc/79/87/67/1183798767.db2.gz YRGZRQGNKBGNMW-VQTJNVASSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001473757212 1183798771 /nfs/dbraw/zinc/79/87/71/1183798771.db2.gz YRGZRQGNKBGNMW-VQTJNVASSA-N 2 1 318.505 3.176 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001473884712 1183818894 /nfs/dbraw/zinc/81/88/94/1183818894.db2.gz AALZSMNSJFJZRB-VQIMIIECSA-N 2 1 304.478 3.093 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001473995998 1183847288 /nfs/dbraw/zinc/84/72/88/1183847288.db2.gz NDTNKEZRTIUKFF-LJQANCHMSA-N 2 1 302.462 3.036 20 0 DGADMP CC[NH+]1CCC(CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001474023499 1183852648 /nfs/dbraw/zinc/85/26/48/1183852648.db2.gz BXASFBRTCJYILT-UHFFFAOYSA-N 2 1 312.461 3.288 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001474029492 1183853545 /nfs/dbraw/zinc/85/35/45/1183853545.db2.gz VMZQTOZOJMEWTM-HZPDHXFCSA-N 2 1 317.408 3.042 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474028325 1183854016 /nfs/dbraw/zinc/85/40/16/1183854016.db2.gz NNMMASBWILTQLV-HOTGVXAUSA-N 2 1 306.498 3.217 20 0 DGADMP FC1(F)[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC001474259116 1183891721 /nfs/dbraw/zinc/89/17/21/1183891721.db2.gz YWTJQVQQKRONKR-YYIAUSFCSA-N 2 1 306.400 3.252 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001474302869 1183901392 /nfs/dbraw/zinc/90/13/92/1183901392.db2.gz JAZMEGYWIRJZQI-NUEKZKHPSA-N 2 1 323.278 3.187 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001474388497 1183914171 /nfs/dbraw/zinc/91/41/71/1183914171.db2.gz LIRSLDODVZMCSI-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001474503282 1183931889 /nfs/dbraw/zinc/93/18/89/1183931889.db2.gz JYCMFBPZRFZXHA-KRWDZBQOSA-N 2 1 301.478 3.282 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC001474558968 1183940918 /nfs/dbraw/zinc/94/09/18/1183940918.db2.gz WRGPGXDPXBCKRL-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC001474630274 1183952657 /nfs/dbraw/zinc/95/26/57/1183952657.db2.gz HKTSPQXJBJDYHG-IKGGRYGDSA-N 2 1 308.510 3.434 20 0 DGADMP CCNc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001474749041 1183972002 /nfs/dbraw/zinc/97/20/02/1183972002.db2.gz WRZPVNGXNDUVHX-SZMVWBNQSA-N 2 1 301.478 3.281 20 0 DGADMP CCNc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001474749039 1183972827 /nfs/dbraw/zinc/97/28/27/1183972827.db2.gz WRZPVNGXNDUVHX-JQHSSLGASA-N 2 1 301.478 3.281 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC001474757768 1183973618 /nfs/dbraw/zinc/97/36/18/1183973618.db2.gz ZMDMDYYMSYBIMN-QEORTHHSSA-N 2 1 310.844 3.342 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC=C(C)C)C(C)C ZINC001493878973 1184755670 /nfs/dbraw/zinc/75/56/70/1184755670.db2.gz NWRPWARORCWJMX-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](CC=C(C)C)C(C)C ZINC001493878973 1184755675 /nfs/dbraw/zinc/75/56/75/1184755675.db2.gz NWRPWARORCWJMX-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC=C(C)C)C(C)C ZINC001493878973 1184755678 /nfs/dbraw/zinc/75/56/78/1184755678.db2.gz NWRPWARORCWJMX-GOSISDBHSA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001507322097 1186390083 /nfs/dbraw/zinc/39/00/83/1186390083.db2.gz PUAZJEVQKXNALE-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[Si](C)(C)c2ccccc2)CC1 ZINC001615422748 1193522093 /nfs/dbraw/zinc/52/20/93/1193522093.db2.gz KRCHVPNFNPYPMX-UHFFFAOYSA-N 2 1 318.581 3.193 20 0 DGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCOC4CC4)C3)C2)cc1 ZINC001615744980 1193526852 /nfs/dbraw/zinc/52/68/52/1193526852.db2.gz ZXTXOROAOKKRGR-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCOC4CC4)C3)C2)cc1 ZINC001615744980 1193526856 /nfs/dbraw/zinc/52/68/56/1193526856.db2.gz ZXTXOROAOKKRGR-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCOC4CC4)C3)C2)cc1 ZINC001615744980 1193526860 /nfs/dbraw/zinc/52/68/60/1193526860.db2.gz ZXTXOROAOKKRGR-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001656743746 1196067604 /nfs/dbraw/zinc/06/76/04/1196067604.db2.gz TVCTYUHREWYDPQ-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC001656743746 1196067608 /nfs/dbraw/zinc/06/76/08/1196067608.db2.gz TVCTYUHREWYDPQ-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1cccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001616739240 1193546656 /nfs/dbraw/zinc/54/66/56/1193546656.db2.gz WTJFBIHQLCUXBQ-ZWKOTPCHSA-N 2 1 306.494 3.373 20 0 DGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC001542360804 1188283034 /nfs/dbraw/zinc/28/30/34/1188283034.db2.gz JRHFKBIJJKUMHE-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@]12C[NH2+]C[C@]1(C)C[NH+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001550174587 1188590567 /nfs/dbraw/zinc/59/05/67/1188590567.db2.gz DCBMWGUJJPQXSS-UAFMIMERSA-N 2 1 314.473 3.228 20 0 DGADMP FC(F)(F)[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC001550243993 1188598042 /nfs/dbraw/zinc/59/80/42/1188598042.db2.gz MVLONQLFKZCYMH-WBVHZDCISA-N 2 1 324.390 3.497 20 0 DGADMP FC(F)(F)[C@@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001550351798 1188608894 /nfs/dbraw/zinc/60/88/94/1188608894.db2.gz JDVMZFWMFRVQHB-HKJOBYGYSA-N 2 1 302.384 3.181 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3C[C@@H]4CCC[C@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550351383 1188608982 /nfs/dbraw/zinc/60/89/82/1188608982.db2.gz KEPUCELXDBETEE-GECNCUIPSA-N 2 1 320.521 3.025 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC001550353660 1188609877 /nfs/dbraw/zinc/60/98/77/1188609877.db2.gz QBGJGYCCZYSZEY-BBWFWOEESA-N 2 1 302.462 3.392 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O)c1ccsc1 ZINC001550354116 1188610022 /nfs/dbraw/zinc/61/00/22/1188610022.db2.gz UNYYBWSPVYLUPK-RZFLPCETSA-N 2 1 322.518 3.269 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3ccccc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550355210 1188610094 /nfs/dbraw/zinc/61/00/94/1188610094.db2.gz QJHWEJWOQAQRKX-LGKHCZOZSA-N 2 1 316.489 3.207 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1)C1CCCC1 ZINC001550437393 1188615887 /nfs/dbraw/zinc/61/58/87/1188615887.db2.gz GQULHHCQKVQVBC-AHRSYUTCSA-N 2 1 316.489 3.340 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)C[C@@H]2C1 ZINC001550540426 1188622621 /nfs/dbraw/zinc/62/26/21/1188622621.db2.gz DBRFYXNIKWYDJJ-WMZOPIPTSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]2C1 ZINC001550540426 1188622623 /nfs/dbraw/zinc/62/26/23/1188622623.db2.gz DBRFYXNIKWYDJJ-WMZOPIPTSA-N 2 1 323.440 3.257 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@@H]2C1 ZINC001550540426 1188622624 /nfs/dbraw/zinc/62/26/24/1188622624.db2.gz DBRFYXNIKWYDJJ-WMZOPIPTSA-N 2 1 323.440 3.257 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)C[C@H]2C1 ZINC001550542923 1188622909 /nfs/dbraw/zinc/62/29/09/1188622909.db2.gz AWLBFFSTQUGIPF-HUUCEWRRSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@H]2C1 ZINC001550542923 1188622913 /nfs/dbraw/zinc/62/29/13/1188622913.db2.gz AWLBFFSTQUGIPF-HUUCEWRRSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@H]2C1 ZINC001550542923 1188622915 /nfs/dbraw/zinc/62/29/15/1188622915.db2.gz AWLBFFSTQUGIPF-HUUCEWRRSA-N 2 1 315.848 3.272 20 0 DGADMP Cc1ncsc1CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001617561549 1193573453 /nfs/dbraw/zinc/57/34/53/1193573453.db2.gz BTIOYITVRQDUBT-UHFFFAOYSA-N 2 1 307.507 3.192 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H](c2ccccc2)O1 ZINC001551254847 1188721312 /nfs/dbraw/zinc/72/13/12/1188721312.db2.gz CUXNKYATLPZIFW-VQIMIIECSA-N 2 1 302.462 3.180 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H](c2ccccc2)O1 ZINC001551254841 1188721558 /nfs/dbraw/zinc/72/15/58/1188721558.db2.gz CUXNKYATLPZIFW-APWZRJJASA-N 2 1 302.462 3.180 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC001551377407 1188732254 /nfs/dbraw/zinc/73/22/54/1188732254.db2.gz HTZZBPKUMKJUKO-WUHBCXKYSA-N 2 1 321.468 3.036 20 0 DGADMP C[N@@H+](C[C@H]1CCCC12CCOCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001617868568 1193583488 /nfs/dbraw/zinc/58/34/88/1193583488.db2.gz RPXFCOBNTVSOPH-HRBLRVMOSA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+](C[C@H]1CCCC12CCOCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001617868568 1193583491 /nfs/dbraw/zinc/58/34/91/1193583491.db2.gz RPXFCOBNTVSOPH-HRBLRVMOSA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+](C[C@H]1CCCC12CCOCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001617868568 1193583494 /nfs/dbraw/zinc/58/34/94/1193583494.db2.gz RPXFCOBNTVSOPH-HRBLRVMOSA-N 2 1 306.494 3.140 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@H]2CCOC[C@@H]2C1 ZINC001552169241 1188821930 /nfs/dbraw/zinc/82/19/30/1188821930.db2.gz GGWYUWWMDQOLPJ-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001552210589 1188825144 /nfs/dbraw/zinc/82/51/44/1188825144.db2.gz BFXAOGOWLBPIET-VXIBKDFQSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccccc1[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001552210645 1188825160 /nfs/dbraw/zinc/82/51/60/1188825160.db2.gz JZZZHUBWGKIUFV-IHPCNDPISA-N 2 1 314.473 3.084 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001553021932 1188890319 /nfs/dbraw/zinc/89/03/19/1188890319.db2.gz AKUWUSILCWJEHZ-ZNMIVQPWSA-N 2 1 310.388 3.154 20 0 DGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001553028250 1188891704 /nfs/dbraw/zinc/89/17/04/1188891704.db2.gz XAIKKXZDYJPZGH-DJIMGWMZSA-N 2 1 301.478 3.245 20 0 DGADMP Clc1ccccc1C1CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC001553027829 1188892068 /nfs/dbraw/zinc/89/20/68/1188892068.db2.gz OWEVLNGOBCXNDC-GALOBHJCSA-N 2 1 302.849 3.172 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@@H+]1C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001553305973 1188915566 /nfs/dbraw/zinc/91/55/66/1188915566.db2.gz YRWIGYXHZTUREB-BVBHFADKSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@H+]1C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001553305973 1188915569 /nfs/dbraw/zinc/91/55/69/1188915569.db2.gz YRWIGYXHZTUREB-BVBHFADKSA-N 2 1 300.446 3.110 20 0 DGADMP C[N@H+]1CCC[C@H]1CS[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001559429449 1189204458 /nfs/dbraw/zinc/20/44/58/1189204458.db2.gz TUPJKDZZJJLDFO-ROUUACIJSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@H]1CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001559429449 1189204464 /nfs/dbraw/zinc/20/44/64/1189204464.db2.gz TUPJKDZZJJLDFO-ROUUACIJSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@H]1CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559429449 1189204471 /nfs/dbraw/zinc/20/44/71/1189204471.db2.gz TUPJKDZZJJLDFO-ROUUACIJSA-N 2 1 304.503 3.478 20 0 DGADMP CC[C@H](C)[N@@H+](CCc1ccccc1F)C[C@H](O)C[NH+](C)C(C)C ZINC001559507209 1189212129 /nfs/dbraw/zinc/21/21/29/1189212129.db2.gz RGMCUXSQEAQTOV-FUHWJXTLSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@H](C)[NH+](CCc1ccccc1F)C[C@H](O)C[N@H+](C)C(C)C ZINC001559507209 1189212131 /nfs/dbraw/zinc/21/21/31/1189212131.db2.gz RGMCUXSQEAQTOV-FUHWJXTLSA-N 2 1 324.484 3.170 20 0 DGADMP CC[C@H](C)[NH+](CCc1ccccc1F)C[C@H](O)C[N@@H+](C)C(C)C ZINC001559507209 1189212137 /nfs/dbraw/zinc/21/21/37/1189212137.db2.gz RGMCUXSQEAQTOV-FUHWJXTLSA-N 2 1 324.484 3.170 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001559689315 1189231926 /nfs/dbraw/zinc/23/19/26/1189231926.db2.gz MIALCQJLWVJPJD-MOPGFXCFSA-N 2 1 306.494 3.455 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001559689315 1189231927 /nfs/dbraw/zinc/23/19/27/1189231927.db2.gz MIALCQJLWVJPJD-MOPGFXCFSA-N 2 1 306.494 3.455 20 0 DGADMP C[C@@H]1CC(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001559715875 1189234109 /nfs/dbraw/zinc/23/41/09/1189234109.db2.gz QSHRTELYPUAEFE-ROUUACIJSA-N 2 1 323.569 3.407 20 0 DGADMP CO[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC001559943650 1189260282 /nfs/dbraw/zinc/26/02/82/1189260282.db2.gz IRGDXPAHLRMMMZ-IBGZPJMESA-N 2 1 317.477 3.189 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC(=O)OC(C)(C)C)CC1 ZINC001560069727 1189275484 /nfs/dbraw/zinc/27/54/84/1189275484.db2.gz ZOJGJVMJQOFKJL-QGZVFWFLSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102063 1189277852 /nfs/dbraw/zinc/27/78/52/1189277852.db2.gz CKAYPTKFHFNVEM-RBUKOAKNSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102063 1189277856 /nfs/dbraw/zinc/27/78/56/1189277856.db2.gz CKAYPTKFHFNVEM-RBUKOAKNSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102063 1189277859 /nfs/dbraw/zinc/27/78/59/1189277859.db2.gz CKAYPTKFHFNVEM-RBUKOAKNSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102063 1189277864 /nfs/dbraw/zinc/27/78/64/1189277864.db2.gz CKAYPTKFHFNVEM-RBUKOAKNSA-N 2 1 316.489 3.018 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H]1CCCC[N@H+]1C(C)C ZINC001560217296 1189292253 /nfs/dbraw/zinc/29/22/53/1189292253.db2.gz HTVHNQAJDBDIIU-AABGKKOBSA-N 2 1 321.553 3.444 20 0 DGADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC001560260890 1189301021 /nfs/dbraw/zinc/30/10/21/1189301021.db2.gz ZXNQMBBJFRLVLA-FUHWJXTLSA-N 2 1 302.462 3.263 20 0 DGADMP CC[C@@H]1CCC[C@H](C[NH2+]CCCCN2CC[NH+](CC)CC2)C1 ZINC001560264798 1189301797 /nfs/dbraw/zinc/30/17/97/1189301797.db2.gz OYWCVJXZUPXUPA-MOPGFXCFSA-N 2 1 309.542 3.210 20 0 DGADMP CC[N@H+]1CCC[C@H](CNCc2sccc2Br)C1 ZINC001560297744 1189307286 /nfs/dbraw/zinc/30/72/86/1189307286.db2.gz NWXAEOWSMANLAM-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001560301115 1189308110 /nfs/dbraw/zinc/30/81/10/1189308110.db2.gz JFMRYHSZXAQERB-UHFFFAOYSA-N 2 1 313.445 3.224 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC001560667618 1189358421 /nfs/dbraw/zinc/35/84/21/1189358421.db2.gz NJHQTYFGKIYTPR-WOJBJXKFSA-N 2 1 316.489 3.306 20 0 DGADMP CC(C)CCCC[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001560751003 1189374721 /nfs/dbraw/zinc/37/47/21/1189374721.db2.gz NPJSKQHTPSEYQS-IBGZPJMESA-N 2 1 304.478 3.169 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC2CCC1CC2 ZINC001560755806 1189375624 /nfs/dbraw/zinc/37/56/24/1189375624.db2.gz SZWSZNRPWHHIJL-MAQDGTSESA-N 2 1 308.510 3.292 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC2CCC1CC2 ZINC001560755806 1189375630 /nfs/dbraw/zinc/37/56/30/1189375630.db2.gz SZWSZNRPWHHIJL-MAQDGTSESA-N 2 1 308.510 3.292 20 0 DGADMP C([N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1([C@H]2CCCCO2)CCC1 ZINC001574794225 1191453311 /nfs/dbraw/zinc/45/33/11/1191453311.db2.gz BMGBXWFQDIFFDK-RCCFBDPRSA-N 2 1 306.494 3.047 20 0 DGADMP CC(C)(C)c1ccc(C[C@]2(C)CCC[N@H+]2C[C@@H](O)CC[NH3+])cc1 ZINC001575272238 1191471542 /nfs/dbraw/zinc/47/15/42/1191471542.db2.gz HKLVNFSHVQXUFO-ICSRJNTNSA-N 2 1 318.505 3.091 20 0 DGADMP CC(C)[C@@H]1[NH2+]CC12CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001575523794 1191488031 /nfs/dbraw/zinc/48/80/31/1191488031.db2.gz SPDFWYXGRRYMFE-INIZCTEOSA-N 2 1 312.379 3.314 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC001575741387 1191505364 /nfs/dbraw/zinc/50/53/64/1191505364.db2.gz QDWLNZBVFNWTJT-QAPCUYQASA-N 2 1 318.461 3.201 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C[NH3+])cc3)C2)[nH]n1 ZINC001575850501 1191510092 /nfs/dbraw/zinc/51/00/92/1191510092.db2.gz OKOOJPYRVXAZGC-KRWDZBQOSA-N 2 1 312.461 3.371 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(C[NH3+])cc3)C2)n[nH]1 ZINC001575850501 1191510095 /nfs/dbraw/zinc/51/00/95/1191510095.db2.gz OKOOJPYRVXAZGC-KRWDZBQOSA-N 2 1 312.461 3.371 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C[NH3+])cc3)C2)n[nH]1 ZINC001575850501 1191510102 /nfs/dbraw/zinc/51/01/02/1191510102.db2.gz OKOOJPYRVXAZGC-KRWDZBQOSA-N 2 1 312.461 3.371 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OCc1ccccc1 ZINC001575962679 1191519581 /nfs/dbraw/zinc/51/95/81/1191519581.db2.gz VRSGXZDTCAUJOQ-IEBWSBKVSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC001575974555 1191521109 /nfs/dbraw/zinc/52/11/09/1191521109.db2.gz BWJVODDWHCJPPJ-AEFFLSMTSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001576117331 1191530133 /nfs/dbraw/zinc/53/01/33/1191530133.db2.gz MUGXRHYCBLDOBR-PBHICJAKSA-N 2 1 318.461 3.201 20 0 DGADMP C[C@@H](NC(C)(C)C[NH2+]Cc1cccc(C[NH3+])c1)c1ccccc1 ZINC001576234549 1191544811 /nfs/dbraw/zinc/54/48/11/1191544811.db2.gz ZFTSRGQTYDKBEZ-MRXNPFEDSA-N 2 1 311.473 3.364 20 0 DGADMP CC(C)n1c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nc2ccccc21 ZINC001576250727 1191549144 /nfs/dbraw/zinc/54/91/44/1191549144.db2.gz HVOAEIKVIMBMNQ-LSDHHAIUSA-N 2 1 300.450 3.095 20 0 DGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001576380528 1191576140 /nfs/dbraw/zinc/57/61/40/1191576140.db2.gz TYQUGGHYECZGRW-STQMWFEESA-N 2 1 323.412 3.304 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001576380526 1191576689 /nfs/dbraw/zinc/57/66/89/1191576689.db2.gz TYQUGGHYECZGRW-OLZOCXBDSA-N 2 1 323.412 3.304 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)CC)cc1 ZINC001618767905 1193750757 /nfs/dbraw/zinc/75/07/57/1193750757.db2.gz PPQJAEUZTUOYBU-LJQANCHMSA-N 2 1 306.494 3.020 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)CC)cc1 ZINC001618767905 1193750761 /nfs/dbraw/zinc/75/07/61/1193750761.db2.gz PPQJAEUZTUOYBU-LJQANCHMSA-N 2 1 306.494 3.020 20 0 DGADMP CCc1ccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)CC)cc1 ZINC001618767905 1193750762 /nfs/dbraw/zinc/75/07/62/1193750762.db2.gz PPQJAEUZTUOYBU-LJQANCHMSA-N 2 1 306.494 3.020 20 0 DGADMP CCc1ccc(C[N@H+](CC(C)C)C[C@H](O)C[NH+](C)CC)cc1 ZINC001618767905 1193750764 /nfs/dbraw/zinc/75/07/64/1193750764.db2.gz PPQJAEUZTUOYBU-LJQANCHMSA-N 2 1 306.494 3.020 20 0 DGADMP C[C@@H]1CN(CC[NH+]2CCCC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001619463080 1193758636 /nfs/dbraw/zinc/75/86/36/1193758636.db2.gz QBSUCDMUPSLODV-QRVBRYPASA-N 2 1 315.505 3.066 20 0 DGADMP Cc1ccc(C[C@@]2(C)CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC001620467398 1193770865 /nfs/dbraw/zinc/77/08/65/1193770865.db2.gz WMKUMEKHNIPMKX-WOJBJXKFSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@@]2(C)CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467398 1193770869 /nfs/dbraw/zinc/77/08/69/1193770869.db2.gz WMKUMEKHNIPMKX-WOJBJXKFSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@@]2(C)CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467398 1193770870 /nfs/dbraw/zinc/77/08/70/1193770870.db2.gz WMKUMEKHNIPMKX-WOJBJXKFSA-N 2 1 318.505 3.093 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001620584685 1193781508 /nfs/dbraw/zinc/78/15/08/1193781508.db2.gz ZNCBROHZUFPMHH-PKOBYXMFSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001620584685 1193781510 /nfs/dbraw/zinc/78/15/10/1193781510.db2.gz ZNCBROHZUFPMHH-PKOBYXMFSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001620584685 1193781512 /nfs/dbraw/zinc/78/15/12/1193781512.db2.gz ZNCBROHZUFPMHH-PKOBYXMFSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC001620594115 1193782197 /nfs/dbraw/zinc/78/21/97/1193782197.db2.gz HQAZMOQGRDIOEH-GJZGRUSLSA-N 2 1 309.404 3.418 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCOCC2)C1 ZINC001620720276 1193794169 /nfs/dbraw/zinc/79/41/69/1193794169.db2.gz GAJJZNPJIOKHLG-MRXNPFEDSA-N 2 1 302.462 3.187 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(Oc4ccccn4)c3)[C@H]2C1 ZINC001621108018 1193803453 /nfs/dbraw/zinc/80/34/53/1193803453.db2.gz FQMZVKUHLIUISI-YTQUADARSA-N 2 1 323.440 3.304 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CC1 ZINC001621404308 1193838901 /nfs/dbraw/zinc/83/89/01/1193838901.db2.gz FKEPMVQFUHCIFA-QZTJIDSGSA-N 2 1 322.880 3.180 20 0 DGADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC001621445915 1193843647 /nfs/dbraw/zinc/84/36/47/1193843647.db2.gz CPAGAOGGFUFHSS-DOTOQJQBSA-N 2 1 317.477 3.018 20 0 DGADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC001621445915 1193843650 /nfs/dbraw/zinc/84/36/50/1193843650.db2.gz CPAGAOGGFUFHSS-DOTOQJQBSA-N 2 1 317.477 3.018 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1C ZINC001621457993 1193845812 /nfs/dbraw/zinc/84/58/12/1193845812.db2.gz TVGVANBIOVWLBF-QAPCUYQASA-N 2 1 319.493 3.259 20 0 DGADMP CC(C)Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC001621499914 1193850265 /nfs/dbraw/zinc/85/02/65/1193850265.db2.gz PFASBDAOQIVBPO-QGZVFWFLSA-N 2 1 324.472 3.386 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC001621499914 1193850271 /nfs/dbraw/zinc/85/02/71/1193850271.db2.gz PFASBDAOQIVBPO-QGZVFWFLSA-N 2 1 324.472 3.386 20 0 DGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CCCCC1 ZINC001628574732 1194185834 /nfs/dbraw/zinc/18/58/34/1194185834.db2.gz QBQVCSHZNFOLSO-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC001639272088 1194758132 /nfs/dbraw/zinc/75/81/32/1194758132.db2.gz KEAPDYWKGVGJHQ-NWDGAFQWSA-N 2 1 301.356 3.055 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC001641879204 1194877269 /nfs/dbraw/zinc/87/72/69/1194877269.db2.gz FCRBKICSRRZJQV-XUVXKRRUSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC001641879204 1194877272 /nfs/dbraw/zinc/87/72/72/1194877272.db2.gz FCRBKICSRRZJQV-XUVXKRRUSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001641879204 1194877274 /nfs/dbraw/zinc/87/72/74/1194877274.db2.gz FCRBKICSRRZJQV-XUVXKRRUSA-N 2 1 318.505 3.346 20 0 DGADMP CO[C@@H](CC(C)C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001642940843 1194955915 /nfs/dbraw/zinc/95/59/15/1194955915.db2.gz LSABFBHGSIWNMO-ZCNNSNEGSA-N 2 1 316.489 3.111 20 0 DGADMP CO[C@@H](CC(C)C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001642940843 1194955918 /nfs/dbraw/zinc/95/59/18/1194955918.db2.gz LSABFBHGSIWNMO-ZCNNSNEGSA-N 2 1 316.489 3.111 20 0 DGADMP CO[C@@H](CC(C)C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001642940843 1194955923 /nfs/dbraw/zinc/95/59/23/1194955923.db2.gz LSABFBHGSIWNMO-ZCNNSNEGSA-N 2 1 316.489 3.111 20 0 DGADMP COCC[N@@H+](CC[C@H]1CCC[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC001644099489 1195081597 /nfs/dbraw/zinc/08/15/97/1195081597.db2.gz UDOCOAVVTCGPNR-ZWKOTPCHSA-N 2 1 310.526 3.493 20 0 DGADMP C([C@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001644658700 1195123911 /nfs/dbraw/zinc/12/39/11/1195123911.db2.gz YLSKMJFSBMWCCK-ROUUACIJSA-N 2 1 322.493 3.013 20 0 DGADMP C([C@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001644658700 1195123917 /nfs/dbraw/zinc/12/39/17/1195123917.db2.gz YLSKMJFSBMWCCK-ROUUACIJSA-N 2 1 322.493 3.013 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001644681426 1195126421 /nfs/dbraw/zinc/12/64/21/1195126421.db2.gz DRRPKCGSJJZHCP-NZSAHSFTSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001644681426 1195126424 /nfs/dbraw/zinc/12/64/24/1195126424.db2.gz DRRPKCGSJJZHCP-NZSAHSFTSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001644681426 1195126427 /nfs/dbraw/zinc/12/64/27/1195126427.db2.gz DRRPKCGSJJZHCP-NZSAHSFTSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC001644761779 1195132849 /nfs/dbraw/zinc/13/28/49/1195132849.db2.gz KSMDYOFABZMPKL-WZOJCFFYSA-N 2 1 308.510 3.245 20 0 DGADMP CCOC(=O)/C=C\C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001644781277 1195134802 /nfs/dbraw/zinc/13/48/02/1195134802.db2.gz UVSMTEVAWMGXRQ-QLBOMPFWSA-N 2 1 322.493 3.082 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001645369217 1195179357 /nfs/dbraw/zinc/17/93/57/1195179357.db2.gz HMMAHDLBIUXWQK-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP C[N@@H+](Cc1ccccc1Br)CC1(C)CC[NH2+]CC1 ZINC000062841782 1195268141 /nfs/dbraw/zinc/26/81/41/1195268141.db2.gz WNFGHEYQWJDPKK-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c(C)n1 ZINC001648660979 1195318636 /nfs/dbraw/zinc/31/86/36/1195318636.db2.gz OBKJYZLISDFEEV-BGYRXZFFSA-N 2 1 313.489 3.315 20 0 DGADMP Cc1cc(C)c(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c(C)n1 ZINC001648660979 1195318640 /nfs/dbraw/zinc/31/86/40/1195318640.db2.gz OBKJYZLISDFEEV-BGYRXZFFSA-N 2 1 313.489 3.315 20 0 DGADMP Cc1cc(C)c(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(C)n1 ZINC001648660979 1195318644 /nfs/dbraw/zinc/31/86/44/1195318644.db2.gz OBKJYZLISDFEEV-BGYRXZFFSA-N 2 1 313.489 3.315 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(C)n1 ZINC001648660979 1195318648 /nfs/dbraw/zinc/31/86/48/1195318648.db2.gz OBKJYZLISDFEEV-BGYRXZFFSA-N 2 1 313.489 3.315 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC001648687650 1195322776 /nfs/dbraw/zinc/32/27/76/1195322776.db2.gz YBCYGUSGOHFBGI-UHFFFAOYSA-N 2 1 308.514 3.319 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC001648703062 1195324409 /nfs/dbraw/zinc/32/44/09/1195324409.db2.gz UMKGISXBGQVZHP-UHFFFAOYSA-N 2 1 300.393 3.274 20 0 DGADMP CCC(CC)[C@@H](CNCc1c[nH+]ccc1N(C)C)[NH+]1CCCC1 ZINC001648761933 1195329822 /nfs/dbraw/zinc/32/98/22/1195329822.db2.gz QGEWCNMKHUQSMY-LJQANCHMSA-N 2 1 318.509 3.138 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001651205524 1195426961 /nfs/dbraw/zinc/42/69/61/1195426961.db2.gz UTMSXFFNBWOAJM-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001651205524 1195426964 /nfs/dbraw/zinc/42/69/64/1195426964.db2.gz UTMSXFFNBWOAJM-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP CCc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001651309156 1195442219 /nfs/dbraw/zinc/44/22/19/1195442219.db2.gz ZLNIVHWVFDAVDJ-OAQYLSRUSA-N 2 1 324.468 3.105 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCC[NH+]3CCC(C)CC3)c12 ZINC001651318528 1195443428 /nfs/dbraw/zinc/44/34/28/1195443428.db2.gz AADQNDJBGUFHRF-UHFFFAOYSA-N 2 1 301.438 3.006 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663742 1195493078 /nfs/dbraw/zinc/49/30/78/1195493078.db2.gz KKNTXTJFYGCLAT-MJGOQNOKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663742 1195493087 /nfs/dbraw/zinc/49/30/87/1195493087.db2.gz KKNTXTJFYGCLAT-MJGOQNOKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001651663742 1195493093 /nfs/dbraw/zinc/49/30/93/1195493093.db2.gz KKNTXTJFYGCLAT-MJGOQNOKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)C1 ZINC001651663742 1195493097 /nfs/dbraw/zinc/49/30/97/1195493097.db2.gz KKNTXTJFYGCLAT-MJGOQNOKSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[C@H](C)[N@@H+](C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC001651980490 1195531119 /nfs/dbraw/zinc/53/11/19/1195531119.db2.gz XCCWBOFBKFYGMB-KRWDZBQOSA-N 2 1 320.477 3.018 20 0 DGADMP C[C@H](Cc1ccno1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001652028162 1195538602 /nfs/dbraw/zinc/53/86/02/1195538602.db2.gz KFQWZCUIPSWWTO-RYRKJORJSA-N 2 1 313.445 3.106 20 0 DGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C12CCC2 ZINC001652321350 1195582516 /nfs/dbraw/zinc/58/25/16/1195582516.db2.gz OMWOFNUYQFDUJG-RCCFBDPRSA-N 2 1 306.494 3.331 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001652526901 1195613476 /nfs/dbraw/zinc/61/34/76/1195613476.db2.gz POWZJLOIVXDFGZ-INIZCTEOSA-N 2 1 307.507 3.192 20 0 DGADMP C[Si](C)(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC001652536063 1195614531 /nfs/dbraw/zinc/61/45/31/1195614531.db2.gz CEVDCQQZWBJUKY-SFHVURJKSA-N 2 1 316.565 3.092 20 0 DGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001652882449 1195666211 /nfs/dbraw/zinc/66/62/11/1195666211.db2.gz NRIIJSUATAWQAC-MAUKXSAKSA-N 2 1 318.461 3.025 20 0 DGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001652882449 1195666215 /nfs/dbraw/zinc/66/62/15/1195666215.db2.gz NRIIJSUATAWQAC-MAUKXSAKSA-N 2 1 318.461 3.025 20 0 DGADMP CCNc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001653025518 1195681529 /nfs/dbraw/zinc/68/15/29/1195681529.db2.gz CSNMOWFUDCPEJV-INIZCTEOSA-N 2 1 310.445 3.224 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)ccc2O1 ZINC001653025953 1195681586 /nfs/dbraw/zinc/68/15/86/1195681586.db2.gz SEDNRPDWYURYIT-HZPDHXFCSA-N 2 1 323.440 3.116 20 0 DGADMP CO[C@@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001654594421 1195821955 /nfs/dbraw/zinc/82/19/55/1195821955.db2.gz DGYYLFWUGJKMSA-IBGZPJMESA-N 2 1 310.526 3.491 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]cc1C(F)(F)F ZINC001655188097 1195888502 /nfs/dbraw/zinc/88/85/02/1195888502.db2.gz AYOHKLJCFVPZSS-LBPRGKRZSA-N 2 1 301.356 3.411 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)C1 ZINC001655282692 1195899080 /nfs/dbraw/zinc/89/90/80/1195899080.db2.gz LOJTYCRVPHWRAQ-YLJYHZDGSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CCCOC2)C1 ZINC001655282929 1195899513 /nfs/dbraw/zinc/89/95/13/1195899513.db2.gz SZBBNMOOLDMTKW-ZWKOTPCHSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001655291685 1195900654 /nfs/dbraw/zinc/90/06/54/1195900654.db2.gz WJHDWRSDXVYEKI-IKGGRYGDSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001655291685 1195900656 /nfs/dbraw/zinc/90/06/56/1195900656.db2.gz WJHDWRSDXVYEKI-IKGGRYGDSA-N 2 1 317.477 3.256 20 0 DGADMP Cc1cccn2c(C[NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)cnc12 ZINC001655302456 1195900993 /nfs/dbraw/zinc/90/09/93/1195900993.db2.gz ZLXYHDLYSCBESB-IYBDPMFKSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1cccn2c(C[NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cnc12 ZINC001655302456 1195900995 /nfs/dbraw/zinc/90/09/95/1195900995.db2.gz ZLXYHDLYSCBESB-IYBDPMFKSA-N 2 1 314.477 3.100 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001655402126 1195913316 /nfs/dbraw/zinc/91/33/16/1195913316.db2.gz YLXXEYRRHIOINN-GJYPPUQNSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001655402126 1195913319 /nfs/dbraw/zinc/91/33/19/1195913319.db2.gz YLXXEYRRHIOINN-GJYPPUQNSA-N 2 1 302.462 3.186 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC001655468650 1195920946 /nfs/dbraw/zinc/92/09/46/1195920946.db2.gz WOQNXEKIALXZDH-ZDUSSCGKSA-N 2 1 320.868 3.264 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)C2 ZINC001655517592 1195926796 /nfs/dbraw/zinc/92/67/96/1195926796.db2.gz ZKNILNRJNHBCAS-WDSOQIARSA-N 2 1 316.489 3.405 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1nccc2c1CCCC2)C(C)(C)C ZINC001655606438 1195939487 /nfs/dbraw/zinc/93/94/87/1195939487.db2.gz NJPUFANJLLGWLR-GOSISDBHSA-N 2 1 303.494 3.416 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC001655618037 1195941219 /nfs/dbraw/zinc/94/12/19/1195941219.db2.gz UTRYIZZYBZFDLE-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccc2ccccc21 ZINC001655616965 1195941782 /nfs/dbraw/zinc/94/17/82/1195941782.db2.gz NJRASGZIPMZGFJ-QFBILLFUSA-N 2 1 300.446 3.193 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001655724815 1195956266 /nfs/dbraw/zinc/95/62/66/1195956266.db2.gz IOGLAZRDCZZRSG-PKOBYXMFSA-N 2 1 312.461 3.143 20 0 DGADMP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC001656035589 1195990602 /nfs/dbraw/zinc/99/06/02/1195990602.db2.gz UQKSCDVDVMWCIW-UHFFFAOYSA-N 2 1 319.449 3.219 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnsc1 ZINC001656062201 1195993303 /nfs/dbraw/zinc/99/33/03/1195993303.db2.gz PCNQPCCPPZHZKP-UHFFFAOYSA-N 2 1 319.474 3.154 20 0 DGADMP CCn1cnc(Cl)c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC001656063818 1195993955 /nfs/dbraw/zinc/99/39/55/1195993955.db2.gz FBAOHMIVVPYRII-AWEZNQCLSA-N 2 1 312.889 3.301 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001656071527 1195994518 /nfs/dbraw/zinc/99/45/18/1195994518.db2.gz VVVXOYVJMQKDGP-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001656473211 1196043371 /nfs/dbraw/zinc/04/33/71/1196043371.db2.gz CDLXJNHUIXXBQV-UHFFFAOYSA-N 2 1 322.880 3.153 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C3CCCC3)C2)CC1 ZINC001656517326 1196046714 /nfs/dbraw/zinc/04/67/14/1196046714.db2.gz NRRMISVCKWRJHM-FQEVSTJZSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC001656583669 1196051877 /nfs/dbraw/zinc/05/18/77/1196051877.db2.gz OCRNUNMYKBJVPB-UHFFFAOYSA-N 2 1 323.444 3.460 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1F ZINC001656680020 1196060589 /nfs/dbraw/zinc/06/05/89/1196060589.db2.gz DHLDBYSYKXEIMI-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001656889951 1196080053 /nfs/dbraw/zinc/08/00/53/1196080053.db2.gz RSAJERWRBCMFDD-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001656963615 1196087890 /nfs/dbraw/zinc/08/78/90/1196087890.db2.gz QZMFIQDXLFLRAA-QGZVFWFLSA-N 2 1 314.477 3.100 20 0 DGADMP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c2c(n1)CCCC2 ZINC001657277629 1196125546 /nfs/dbraw/zinc/12/55/46/1196125546.db2.gz DFNVQLVLMASIDR-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c2c(n1)CCCC2 ZINC001657277629 1196125547 /nfs/dbraw/zinc/12/55/47/1196125547.db2.gz DFNVQLVLMASIDR-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c2c(n1)CCCC2 ZINC001657277629 1196125548 /nfs/dbraw/zinc/12/55/48/1196125548.db2.gz DFNVQLVLMASIDR-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c2c(n1)CCCC2 ZINC001657277629 1196125552 /nfs/dbraw/zinc/12/55/52/1196125552.db2.gz DFNVQLVLMASIDR-MRXNPFEDSA-N 2 1 301.478 3.042 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001657303988 1196129018 /nfs/dbraw/zinc/12/90/18/1196129018.db2.gz GODUPESIYFJCEW-FQEVSTJZSA-N 3 1 321.553 3.162 20 0 DGADMP CCn1cnc(Cl)c1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC001657383311 1196135768 /nfs/dbraw/zinc/13/57/68/1196135768.db2.gz ZBEWRTLCZSXFJL-UHFFFAOYSA-N 2 1 312.889 3.110 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC001657986901 1196199071 /nfs/dbraw/zinc/19/90/71/1196199071.db2.gz HNAYFSNGUNNOFV-CQSZACIVSA-N 2 1 320.481 3.500 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001658262142 1196232098 /nfs/dbraw/zinc/23/20/98/1196232098.db2.gz QVOQHNMMCAAHJX-LZLYRXPVSA-N 2 1 304.478 3.336 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC001658262142 1196232102 /nfs/dbraw/zinc/23/21/02/1196232102.db2.gz QVOQHNMMCAAHJX-LZLYRXPVSA-N 2 1 304.478 3.336 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC001658311413 1196240894 /nfs/dbraw/zinc/24/08/94/1196240894.db2.gz XYKJLSYOHSWCEW-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001658412934 1196253117 /nfs/dbraw/zinc/25/31/17/1196253117.db2.gz LTVFIFGBZYMXSL-KRWDZBQOSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC001658494759 1196265143 /nfs/dbraw/zinc/26/51/43/1196265143.db2.gz VGUSAVZTWMFXSK-HXUWFJFHSA-N 2 1 315.505 3.319 20 0 DGADMP CC(C)C1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001658586503 1196276796 /nfs/dbraw/zinc/27/67/96/1196276796.db2.gz PMWFNWGPLRRDAZ-LJQANCHMSA-N 2 1 316.489 3.169 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001658898949 1196316990 /nfs/dbraw/zinc/31/69/90/1196316990.db2.gz BTHSBMMBBYHZGN-QRQCRPRQSA-N 2 1 322.518 3.149 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001659015910 1196332515 /nfs/dbraw/zinc/33/25/15/1196332515.db2.gz GTBNOJRVOIVNCM-UMGGQSCQSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001659015910 1196332522 /nfs/dbraw/zinc/33/25/22/1196332522.db2.gz GTBNOJRVOIVNCM-UMGGQSCQSA-N 2 1 318.505 3.284 20 0 DGADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001659026419 1196332880 /nfs/dbraw/zinc/33/28/80/1196332880.db2.gz WPRQYIXDXCTJCL-KRWDZBQOSA-N 2 1 324.509 3.353 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(Sc4ccccc4)C3)[C@H]2C1 ZINC001659118482 1196348239 /nfs/dbraw/zinc/34/82/39/1196348239.db2.gz MAECCJZQBREYHJ-KRLXULGHSA-N 2 1 302.487 3.240 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125451 1196349573 /nfs/dbraw/zinc/34/95/73/1196349573.db2.gz PMUYZDQWTYGMDC-LJQANCHMSA-N 2 1 306.494 3.074 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125451 1196349579 /nfs/dbraw/zinc/34/95/79/1196349579.db2.gz PMUYZDQWTYGMDC-LJQANCHMSA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125451 1196349582 /nfs/dbraw/zinc/34/95/82/1196349582.db2.gz PMUYZDQWTYGMDC-LJQANCHMSA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001659125451 1196349587 /nfs/dbraw/zinc/34/95/87/1196349587.db2.gz PMUYZDQWTYGMDC-LJQANCHMSA-N 2 1 306.494 3.074 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001659132059 1196349609 /nfs/dbraw/zinc/34/96/09/1196349609.db2.gz VKBZEXSSDUHVRP-CQSZACIVSA-N 2 1 308.514 3.465 20 0 DGADMP CCOCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC001659765227 1196412201 /nfs/dbraw/zinc/41/22/01/1196412201.db2.gz SWUAWGICJWHYKE-QUCCMNQESA-N 2 1 316.489 3.497 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001659917553 1196428563 /nfs/dbraw/zinc/42/85/63/1196428563.db2.gz CUIFDTMPCNYANN-IMFGXOCKSA-N 2 1 307.441 3.396 20 0 DGADMP c1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCN21 ZINC001659928824 1196429333 /nfs/dbraw/zinc/42/93/33/1196429333.db2.gz IMKFPLNQVQQBTO-IBGZPJMESA-N 2 1 313.489 3.347 20 0 DGADMP CCO[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+](C)C ZINC001659985296 1196434298 /nfs/dbraw/zinc/43/42/98/1196434298.db2.gz YBUHIQIPFBGXBG-MOPGFXCFSA-N 2 1 320.452 3.318 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2OC)C2CC2)CC1 ZINC001664147449 1196974913 /nfs/dbraw/zinc/97/49/13/1196974913.db2.gz HPMOKNFPTNUORI-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@H](Cc1ccno1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001664515117 1197007872 /nfs/dbraw/zinc/00/78/72/1197007872.db2.gz UYQUOUNIRUOCLC-APWZRJJASA-N 2 1 313.445 3.107 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC001664611207 1197020820 /nfs/dbraw/zinc/02/08/20/1197020820.db2.gz GMPOQJXWXFEEPS-OALUTQOASA-N 2 1 308.510 3.245 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000080204784 1197043514 /nfs/dbraw/zinc/04/35/14/1197043514.db2.gz VUHXYMVGVXUPLF-MOPGFXCFSA-N 2 1 318.505 3.285 20 0 DGADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)C1CCCCC1 ZINC001665895339 1197213245 /nfs/dbraw/zinc/21/32/45/1197213245.db2.gz CGNIULPGKUCSET-INDMIFKZSA-N 2 1 308.510 3.244 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000322965191 1197689224 /nfs/dbraw/zinc/68/92/24/1197689224.db2.gz VRFKHBSNUZVOSS-FXAWDEMLSA-N 2 1 316.489 3.482 20 0 DGADMP Cc1cccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)c1C ZINC000326092429 1197696120 /nfs/dbraw/zinc/69/61/20/1197696120.db2.gz AAJASJJDQYHSKI-UHFFFAOYSA-N 2 1 321.468 3.229 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000378891257 1197701081 /nfs/dbraw/zinc/70/10/81/1197701081.db2.gz QSILBJXCSBIFQG-JTDSTZFVSA-N 2 1 300.446 3.289 20 0 DGADMP CCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001674939440 1197928059 /nfs/dbraw/zinc/92/80/59/1197928059.db2.gz VKZDFOUKBJIGMX-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001674939440 1197928061 /nfs/dbraw/zinc/92/80/61/1197928061.db2.gz VKZDFOUKBJIGMX-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001674939440 1197928064 /nfs/dbraw/zinc/92/80/64/1197928064.db2.gz VKZDFOUKBJIGMX-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001677407384 1198529856 /nfs/dbraw/zinc/52/98/56/1198529856.db2.gz YHWIMXHPPWKYAW-UHFFFAOYSA-N 2 1 323.525 3.019 20 0 DGADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1Br ZINC000094010916 1198747831 /nfs/dbraw/zinc/74/78/31/1198747831.db2.gz UJRQKULBFFSGIO-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP Fc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000103173952 1199483247 /nfs/dbraw/zinc/48/32/47/1199483247.db2.gz GOVIBGCNDFGZGX-IBGZPJMESA-N 2 1 312.432 3.480 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000105457016 1199542044 /nfs/dbraw/zinc/54/20/44/1199542044.db2.gz ZHURFKAHTFZNQH-GOSISDBHSA-N 2 1 312.461 3.082 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000105458063 1199542432 /nfs/dbraw/zinc/54/24/32/1199542432.db2.gz ATIAJHILEGARHT-KRWDZBQOSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc(OC)c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116379026 1199797700 /nfs/dbraw/zinc/79/77/00/1199797700.db2.gz RCYOBDWEMIZJMN-QGZVFWFLSA-N 2 1 308.466 3.160 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C12CCCCC2 ZINC000315921957 1199810877 /nfs/dbraw/zinc/81/08/77/1199810877.db2.gz FLQGGQQBTYGUEJ-FGTMMUONSA-N 2 1 308.510 3.434 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427111395 1199813345 /nfs/dbraw/zinc/81/33/45/1199813345.db2.gz ZKPOTQUUQIEBRY-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427111395 1199813348 /nfs/dbraw/zinc/81/33/48/1199813348.db2.gz ZKPOTQUUQIEBRY-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000316817701 1199817770 /nfs/dbraw/zinc/81/77/70/1199817770.db2.gz OYGVUCZCLJMEOL-ZLPCBKJTSA-N 2 1 304.478 3.479 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000316968373 1199820979 /nfs/dbraw/zinc/82/09/79/1199820979.db2.gz JXSGZBKQUYXCNE-DZGCQCFKSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000316968373 1199820981 /nfs/dbraw/zinc/82/09/81/1199820981.db2.gz JXSGZBKQUYXCNE-DZGCQCFKSA-N 2 1 314.351 3.159 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697461 1199840567 /nfs/dbraw/zinc/84/05/67/1199840567.db2.gz SHKAWTNWVCNSRH-HOCLYGCPSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697461 1199840572 /nfs/dbraw/zinc/84/05/72/1199840572.db2.gz SHKAWTNWVCNSRH-HOCLYGCPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697461 1199840575 /nfs/dbraw/zinc/84/05/75/1199840575.db2.gz SHKAWTNWVCNSRH-HOCLYGCPSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@@H]2C1 ZINC000319697461 1199840580 /nfs/dbraw/zinc/84/05/80/1199840580.db2.gz SHKAWTNWVCNSRH-HOCLYGCPSA-N 2 1 315.848 3.272 20 0 DGADMP CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753993936 1200062579 /nfs/dbraw/zinc/06/25/79/1200062579.db2.gz ZBZHOPVMLKMAJZ-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000121819050 1200238319 /nfs/dbraw/zinc/23/83/19/1200238319.db2.gz PWAUHQWQLXGEDJ-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nc1 ZINC000126840460 1200632013 /nfs/dbraw/zinc/63/20/13/1200632013.db2.gz LXJCHVXFPIJUSC-RTBURBONSA-N 2 1 307.441 3.465 20 0 DGADMP CC[NH+](CC)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000131784008 1201160236 /nfs/dbraw/zinc/16/02/36/1201160236.db2.gz WEXNEOLGUFZQOV-UYAOXDASSA-N 2 1 317.521 3.313 20 0 DGADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001700316404 1202233525 /nfs/dbraw/zinc/23/35/25/1202233525.db2.gz ULANDTXCYCQGKM-HZPDHXFCSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001700316404 1202233528 /nfs/dbraw/zinc/23/35/28/1202233528.db2.gz ULANDTXCYCQGKM-HZPDHXFCSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001700316404 1202233531 /nfs/dbraw/zinc/23/35/31/1202233531.db2.gz ULANDTXCYCQGKM-HZPDHXFCSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001700434749 1202272186 /nfs/dbraw/zinc/27/21/86/1202272186.db2.gz PAILMTRVERYVAV-ADKAHSJRSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671308 1202310467 /nfs/dbraw/zinc/31/04/67/1202310467.db2.gz UXMKQUNNAIDOKB-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000235318845 1202604346 /nfs/dbraw/zinc/60/43/46/1202604346.db2.gz VDVFHFMGXOYZDF-JMSVASOKSA-N 2 1 311.267 3.049 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000235318845 1202604347 /nfs/dbraw/zinc/60/43/47/1202604347.db2.gz VDVFHFMGXOYZDF-JMSVASOKSA-N 2 1 311.267 3.049 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000155969610 1202599566 /nfs/dbraw/zinc/59/95/66/1202599566.db2.gz QULHYVGXHUEKPQ-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)n2c1 ZINC000157426054 1202602451 /nfs/dbraw/zinc/60/24/51/1202602451.db2.gz QFFDOUVQCYHGAW-UHFFFAOYSA-N 2 1 312.461 3.139 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC000234372081 1202603585 /nfs/dbraw/zinc/60/35/85/1202603585.db2.gz IHTNTWHRFMYOEU-UHFFFAOYSA-N 2 1 304.554 3.194 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000236958833 1202637833 /nfs/dbraw/zinc/63/78/33/1202637833.db2.gz TXKYQBORKXCQOK-FXAWDEMLSA-N 2 1 315.505 3.102 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713832318 1202693880 /nfs/dbraw/zinc/69/38/80/1202693880.db2.gz QLBCNLAMLCSNLO-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713832318 1202693881 /nfs/dbraw/zinc/69/38/81/1202693881.db2.gz QLBCNLAMLCSNLO-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713832318 1202693882 /nfs/dbraw/zinc/69/38/82/1202693882.db2.gz QLBCNLAMLCSNLO-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000237859581 1202719127 /nfs/dbraw/zinc/71/91/27/1202719127.db2.gz SEZHTSSSHYYNOT-QGZVFWFLSA-N 2 1 315.486 3.106 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000237859581 1202719129 /nfs/dbraw/zinc/71/91/29/1202719129.db2.gz SEZHTSSSHYYNOT-QGZVFWFLSA-N 2 1 315.486 3.106 20 0 DGADMP CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001716713377 1203530407 /nfs/dbraw/zinc/53/04/07/1203530407.db2.gz INHKVABJZKLWIR-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001716713377 1203530408 /nfs/dbraw/zinc/53/04/08/1203530408.db2.gz INHKVABJZKLWIR-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001716713377 1203530410 /nfs/dbraw/zinc/53/04/10/1203530410.db2.gz INHKVABJZKLWIR-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717540035 1203677357 /nfs/dbraw/zinc/67/73/57/1203677357.db2.gz IBNUNJMNWBPKGJ-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)CCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174311521 1203899031 /nfs/dbraw/zinc/89/90/31/1203899031.db2.gz JVQIVLOQWCLYIG-UHFFFAOYSA-N 3 1 317.521 3.363 20 0 DGADMP CC/C=C\CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725162792 1204107193 /nfs/dbraw/zinc/10/71/93/1204107193.db2.gz UKUQYJMSJWPAEP-QWPQOLDESA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725162785 1204107436 /nfs/dbraw/zinc/10/74/36/1204107436.db2.gz UKUQYJMSJWPAEP-IWAYRVGRSA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001733272915 1205077352 /nfs/dbraw/zinc/07/73/52/1205077352.db2.gz VBGFXMKACDJRRL-AYHJJNSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001734091873 1205319155 /nfs/dbraw/zinc/31/91/55/1205319155.db2.gz AJPAUFHTFXGQSY-CALCHBBNSA-N 2 1 323.525 3.068 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc1 ZINC001164633279 719251166 /nfs/dbraw/zinc/25/11/66/719251166.db2.gz KPKNMRYDBGMDQQ-LZLYRXPVSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc1 ZINC001164633279 719251168 /nfs/dbraw/zinc/25/11/68/719251168.db2.gz KPKNMRYDBGMDQQ-LZLYRXPVSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC001164633279 719251171 /nfs/dbraw/zinc/25/11/71/719251171.db2.gz KPKNMRYDBGMDQQ-LZLYRXPVSA-N 2 1 316.493 3.157 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC001165039336 721898356 /nfs/dbraw/zinc/89/83/56/721898356.db2.gz VOQATQPGXMXQKK-ROUUACIJSA-N 2 1 316.493 3.159 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206810614 1081695319 /nfs/dbraw/zinc/69/53/19/1081695319.db2.gz PHHUKRQEPOPIRM-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246503463 1104567841 /nfs/dbraw/zinc/56/78/41/1104567841.db2.gz ZBPMNJCKUCLACP-GJZGRUSLSA-N 2 1 300.487 3.240 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001206013446 1081601249 /nfs/dbraw/zinc/60/12/49/1081601249.db2.gz RDUIZBIBUWPQFG-QWRGUYRKSA-N 2 1 302.796 3.425 20 0 DGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169948601 1081683329 /nfs/dbraw/zinc/68/33/29/1081683329.db2.gz JFAJAEPGDKTIJO-MSOLQXFVSA-N 2 1 322.493 3.013 20 0 DGADMP COCCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209055363 1081684764 /nfs/dbraw/zinc/68/47/64/1081684764.db2.gz XMMFIBXLFNRTIN-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206810614 1081695317 /nfs/dbraw/zinc/69/53/17/1081695317.db2.gz PHHUKRQEPOPIRM-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453010 1081757034 /nfs/dbraw/zinc/75/70/34/1081757034.db2.gz CCNMACAJEMHYBC-GOSISDBHSA-N 2 1 317.477 3.109 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453010 1081757037 /nfs/dbraw/zinc/75/70/37/1081757037.db2.gz CCNMACAJEMHYBC-GOSISDBHSA-N 2 1 317.477 3.109 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001648794831 1081778697 /nfs/dbraw/zinc/77/86/97/1081778697.db2.gz HLEIMQLXJXJMCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001648794831 1081778702 /nfs/dbraw/zinc/77/87/02/1081778702.db2.gz HLEIMQLXJXJMCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001648794831 1081778708 /nfs/dbraw/zinc/77/87/08/1081778708.db2.gz HLEIMQLXJXJMCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001648794831 1081778715 /nfs/dbraw/zinc/77/87/15/1081778715.db2.gz HLEIMQLXJXJMCY-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CC1(C)OC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)c2ccccc21 ZINC001209730296 1081791390 /nfs/dbraw/zinc/79/13/90/1081791390.db2.gz FVISECWCJBRIEX-UHFFFAOYSA-N 2 1 323.440 3.251 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)([NH+](C)C)C1 ZINC001648895428 1081956146 /nfs/dbraw/zinc/95/61/46/1081956146.db2.gz OTKODVSVVPQOQQ-ZRSRNVLSSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)CCC[C@@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001170091585 1082070762 /nfs/dbraw/zinc/07/07/62/1082070762.db2.gz TVHKMDGGGHLCGC-GOSISDBHSA-N 2 1 309.542 3.161 20 0 DGADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001170215039 1082313664 /nfs/dbraw/zinc/31/36/64/1082313664.db2.gz XOKBAZFEPGANQM-QBPKDAKJSA-N 2 1 320.502 3.069 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170259471 1082329384 /nfs/dbraw/zinc/32/93/84/1082329384.db2.gz CZLNZZCRWLSCPZ-FVQBIDKESA-N 2 1 322.880 3.242 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411844 1082370100 /nfs/dbraw/zinc/37/01/00/1082370100.db2.gz MOLNXUMSHBDWNV-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC001167508584 1082465576 /nfs/dbraw/zinc/46/55/76/1082465576.db2.gz HFDXKCBICIHOGB-NUJGCVRESA-N 2 1 322.493 3.316 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2Cc3ccccc3C2)cc1 ZINC000399664847 1082499478 /nfs/dbraw/zinc/49/94/78/1082499478.db2.gz OYAHWFSWZZHBTA-RLAPIPATSA-N 2 1 318.464 3.264 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2Cc3ccccc3C2)cc1 ZINC000399664847 1082499479 /nfs/dbraw/zinc/49/94/79/1082499479.db2.gz OYAHWFSWZZHBTA-RLAPIPATSA-N 2 1 318.464 3.264 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207285834 1082522363 /nfs/dbraw/zinc/52/23/63/1082522363.db2.gz OXUIUHGIAOCISZ-KRWDZBQOSA-N 2 1 304.478 3.426 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207285834 1082522365 /nfs/dbraw/zinc/52/23/65/1082522365.db2.gz OXUIUHGIAOCISZ-KRWDZBQOSA-N 2 1 304.478 3.426 20 0 DGADMP CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001267141557 1082558888 /nfs/dbraw/zinc/55/88/88/1082558888.db2.gz DULSVLIXYXLWAE-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP CCC1CCC([N@@H+](C)C[C@H](O)CN(C)Cc2ccccc2)CC1 ZINC001167586197 1082564534 /nfs/dbraw/zinc/56/45/34/1082564534.db2.gz IVBFFEVNTKGNBU-LYBXBRPPSA-N 2 1 318.505 3.380 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001267170688 1082594511 /nfs/dbraw/zinc/59/45/11/1082594511.db2.gz RLLMTYQGUIDJSR-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267170688 1082594513 /nfs/dbraw/zinc/59/45/13/1082594513.db2.gz RLLMTYQGUIDJSR-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001267170688 1082594515 /nfs/dbraw/zinc/59/45/15/1082594515.db2.gz RLLMTYQGUIDJSR-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170530016 1082633709 /nfs/dbraw/zinc/63/37/09/1082633709.db2.gz SSDVGDLKRDCMNU-TVFCKZIOSA-N 2 1 322.493 3.090 20 0 DGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107170 1082820079 /nfs/dbraw/zinc/82/00/79/1082820079.db2.gz YFCWRVWWAAIVLM-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132154093 1082827466 /nfs/dbraw/zinc/82/74/66/1082827466.db2.gz WZJAEQSNSPEGNU-CZDHMLMNSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132154093 1082827470 /nfs/dbraw/zinc/82/74/70/1082827470.db2.gz WZJAEQSNSPEGNU-CZDHMLMNSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132154093 1082827472 /nfs/dbraw/zinc/82/74/72/1082827472.db2.gz WZJAEQSNSPEGNU-CZDHMLMNSA-N 2 1 323.525 3.042 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708546205 1082843683 /nfs/dbraw/zinc/84/36/83/1082843683.db2.gz UHNIVIXWECNRDV-HKUYNNGSSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708546205 1082843692 /nfs/dbraw/zinc/84/36/92/1082843692.db2.gz UHNIVIXWECNRDV-HKUYNNGSSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615277 1082908412 /nfs/dbraw/zinc/90/84/12/1082908412.db2.gz HCZYQNZOEPSCKH-MAUKXSAKSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615277 1082908416 /nfs/dbraw/zinc/90/84/16/1082908416.db2.gz HCZYQNZOEPSCKH-MAUKXSAKSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@H]1Cc2cc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)ccc2O1 ZINC001204615277 1082908419 /nfs/dbraw/zinc/90/84/19/1082908419.db2.gz HCZYQNZOEPSCKH-MAUKXSAKSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@H]1Cc2cc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)ccc2O1 ZINC001204615277 1082908424 /nfs/dbraw/zinc/90/84/24/1082908424.db2.gz HCZYQNZOEPSCKH-MAUKXSAKSA-N 2 1 302.462 3.316 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001207398617 1082910671 /nfs/dbraw/zinc/91/06/71/1082910671.db2.gz CTYOZDUTZGKUSQ-KRWDZBQOSA-N 2 1 308.466 3.257 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170667923 1083072169 /nfs/dbraw/zinc/07/21/69/1083072169.db2.gz AMMNLVXULYMDRW-NXOAAHMSSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170667923 1083072173 /nfs/dbraw/zinc/07/21/73/1083072173.db2.gz AMMNLVXULYMDRW-NXOAAHMSSA-N 2 1 320.427 3.427 20 0 DGADMP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473813 1083629426 /nfs/dbraw/zinc/62/94/26/1083629426.db2.gz CKFJSLYPDQDFAN-LKGOPFMKSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001273473813 1083629429 /nfs/dbraw/zinc/62/94/29/1083629429.db2.gz CKFJSLYPDQDFAN-LKGOPFMKSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001273473813 1083629432 /nfs/dbraw/zinc/62/94/32/1083629432.db2.gz CKFJSLYPDQDFAN-LKGOPFMKSA-N 2 1 323.525 3.044 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001167786491 1083941499 /nfs/dbraw/zinc/94/14/99/1083941499.db2.gz PGPCKNOLLYEHGW-UHFFFAOYSA-N 2 1 322.456 3.152 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205288154 1084087835 /nfs/dbraw/zinc/08/78/35/1084087835.db2.gz HAMQMZAJPSWPQV-HNNXBMFYSA-N 2 1 302.340 3.130 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205288154 1084087845 /nfs/dbraw/zinc/08/78/45/1084087845.db2.gz HAMQMZAJPSWPQV-HNNXBMFYSA-N 2 1 302.340 3.130 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001167825199 1084115957 /nfs/dbraw/zinc/11/59/57/1084115957.db2.gz HIWVZQZEFLILFU-ICSRJNTNSA-N 2 1 317.521 3.486 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@H]1CN1CCCC1 ZINC001167826599 1084120153 /nfs/dbraw/zinc/12/01/53/1084120153.db2.gz RETUMPKEBVKUGL-MOPGFXCFSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001167826599 1084120156 /nfs/dbraw/zinc/12/01/56/1084120156.db2.gz RETUMPKEBVKUGL-MOPGFXCFSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001167833359 1084141441 /nfs/dbraw/zinc/14/14/41/1084141441.db2.gz AILSLWPFKWYKDV-HNNXBMFYSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001167835715 1084158357 /nfs/dbraw/zinc/15/83/57/1084158357.db2.gz UDANGJGKCZCLGS-ZWKOTPCHSA-N 2 1 319.493 3.354 20 0 DGADMP CCc1noc([C@@H]2CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167837768 1084162920 /nfs/dbraw/zinc/16/29/20/1084162920.db2.gz MGYMAOAJYLMNGA-HZPDHXFCSA-N 2 1 322.497 3.322 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001167838204 1084163427 /nfs/dbraw/zinc/16/34/27/1084163427.db2.gz RNADZBGEJKMZGD-FUHWJXTLSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cnc(SC)nc2C1 ZINC001167840123 1084167846 /nfs/dbraw/zinc/16/78/46/1084167846.db2.gz DXDUADLEDLYGTG-CQSZACIVSA-N 2 1 322.522 3.067 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(c4ccc(O)cc4)CC3)[C@H]2C1 ZINC001184387075 1084169028 /nfs/dbraw/zinc/16/90/28/1084169028.db2.gz HCINNMIMPQASPR-GRJJFLIKSA-N 2 1 314.473 3.348 20 0 DGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184389224 1084170282 /nfs/dbraw/zinc/17/02/82/1084170282.db2.gz WMIKEFZTEVUEDH-GNUPYSACSA-N 2 1 311.473 3.419 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001167841008 1084174878 /nfs/dbraw/zinc/17/48/78/1084174878.db2.gz JIIIKTQJCVLYAS-GOSISDBHSA-N 2 1 309.542 3.447 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001205297086 1084175542 /nfs/dbraw/zinc/17/55/42/1084175542.db2.gz YRXMNVXRDZUTGD-GOSISDBHSA-N 2 1 305.441 3.129 20 0 DGADMP Cc1c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305498 1084238033 /nfs/dbraw/zinc/23/80/33/1084238033.db2.gz SAXIHZIGKJYNLC-BXUZGUMPSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205305498 1084238042 /nfs/dbraw/zinc/23/80/42/1084238042.db2.gz SAXIHZIGKJYNLC-BXUZGUMPSA-N 2 1 300.368 3.431 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692920315 1084285585 /nfs/dbraw/zinc/28/55/85/1084285585.db2.gz DPHKKYZJTRSSSQ-KGLIPLIRSA-N 2 1 305.293 3.282 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)C[NH+]1CCCC1 ZINC000168084629 1084688162 /nfs/dbraw/zinc/68/81/62/1084688162.db2.gz NAIISGOKFMQDKO-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP COc1ccc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727674 1084862324 /nfs/dbraw/zinc/86/23/24/1084862324.db2.gz JKDXLRNFSAVCMB-UHFFFAOYSA-N 2 1 302.462 3.093 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001204734700 1084879085 /nfs/dbraw/zinc/87/90/85/1084879085.db2.gz BTKYTNCJFHQNCW-UHFFFAOYSA-N 2 1 302.462 3.278 20 0 DGADMP Clc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1OCO2 ZINC001204735426 1085074976 /nfs/dbraw/zinc/07/49/76/1085074976.db2.gz UMOUKHURNWPRDS-UHFFFAOYSA-N 2 1 322.836 3.034 20 0 DGADMP COc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167960299 1085674116 /nfs/dbraw/zinc/67/41/16/1085674116.db2.gz XQGRHMGHRDOQBL-YQQQUEKLSA-N 2 1 314.473 3.233 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cnc2ccccn12 ZINC001167960753 1085683813 /nfs/dbraw/zinc/68/38/13/1085683813.db2.gz BIXCSNANDCNBBM-CCNLRDMRSA-N 2 1 324.472 3.390 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965490 1085852599 /nfs/dbraw/zinc/85/25/99/1085852599.db2.gz HNOGSFFKBNNHAK-OHSMVPPVSA-N 3 1 321.553 3.492 20 0 DGADMP O[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167965919 1085862925 /nfs/dbraw/zinc/86/29/25/1085862925.db2.gz QMBLSWXRCYZGOL-NXEWRWPSSA-N 2 1 314.473 3.105 20 0 DGADMP OCCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973427 1085915030 /nfs/dbraw/zinc/91/50/30/1085915030.db2.gz KMLOJNVFUQZLPB-YQQQUEKLSA-N 2 1 308.510 3.314 20 0 DGADMP CC(C)(Cc1ccncc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975491 1085921085 /nfs/dbraw/zinc/92/10/85/1085921085.db2.gz QNMFHANAHNODID-YQQQUEKLSA-N 2 1 313.489 3.398 20 0 DGADMP C[NH+]1CCC(C[N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC000713198376 1085990182 /nfs/dbraw/zinc/99/01/82/1085990182.db2.gz GIYVVACYDSRCSB-UHFFFAOYSA-N 2 1 309.251 3.107 20 0 DGADMP C[NH+]1CCC(C[N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC000713198376 1085990186 /nfs/dbraw/zinc/99/01/86/1085990186.db2.gz GIYVVACYDSRCSB-UHFFFAOYSA-N 2 1 309.251 3.107 20 0 DGADMP [NH3+]CCc1cn(-c2cccc(C3=[NH+]CCC3)c2)c2ccc(O)cc12 ZINC001167987831 1086011781 /nfs/dbraw/zinc/01/17/81/1086011781.db2.gz PTILJDZLQPAQLZ-UHFFFAOYSA-N 2 1 319.408 3.420 20 0 DGADMP C[C@@H]1CC([NH2+]CCCC[NH+](C)C)C[C@@H](C)N1Cc1ccccc1 ZINC001168007493 1086163480 /nfs/dbraw/zinc/16/34/80/1086163480.db2.gz SJBIGWCYKNVNBM-QZTJIDSGSA-N 2 1 317.521 3.359 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009207 1086177381 /nfs/dbraw/zinc/17/73/81/1086177381.db2.gz ZGKDGQCDBPDZIX-WKYWSUOGSA-N 2 1 316.489 3.321 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(COC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014478 1086271177 /nfs/dbraw/zinc/27/11/77/1086271177.db2.gz LOEYDMNMRUHZDJ-ALXJQNPVSA-N 2 1 314.473 3.197 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(OC)c2)C1 ZINC001205009587 1086529859 /nfs/dbraw/zinc/52/98/59/1086529859.db2.gz YBLZZEYJVXJBQB-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(OC)c2)C1 ZINC001205009587 1086529864 /nfs/dbraw/zinc/52/98/64/1086529864.db2.gz YBLZZEYJVXJBQB-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP CCN(C1CN(C)C1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058230 1086632193 /nfs/dbraw/zinc/63/21/93/1086632193.db2.gz PIJAYQRPUDUWGL-IZZQQSIFSA-N 2 1 315.505 3.064 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC)C1 ZINC001088411880 1086916259 /nfs/dbraw/zinc/91/62/59/1086916259.db2.gz SOCUBMFAMGSQMK-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCNc1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC001168200166 1087048927 /nfs/dbraw/zinc/04/89/27/1087048927.db2.gz GBSHVMYJKSQMKB-UHFFFAOYSA-N 2 1 310.511 3.129 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C)CC3)C2)C1 ZINC001168211950 1087059300 /nfs/dbraw/zinc/05/93/00/1087059300.db2.gz KLTLQVUTHVRHLC-CTWPCTMYSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C)CC3)C2)C1 ZINC001168211950 1087059304 /nfs/dbraw/zinc/05/93/04/1087059304.db2.gz KLTLQVUTHVRHLC-CTWPCTMYSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(C)CC3)C2)C1 ZINC001168211950 1087059307 /nfs/dbraw/zinc/05/93/07/1087059307.db2.gz KLTLQVUTHVRHLC-CTWPCTMYSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(C)CC3)C2)C1 ZINC001168211950 1087059311 /nfs/dbraw/zinc/05/93/11/1087059311.db2.gz KLTLQVUTHVRHLC-CTWPCTMYSA-N 2 1 308.510 3.388 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC001168231069 1087064605 /nfs/dbraw/zinc/06/46/05/1087064605.db2.gz NMMHNPGXFLBHPH-FCEWJHQRSA-N 2 1 316.489 3.120 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(OC)cc3C2)C1 ZINC001168252191 1087073534 /nfs/dbraw/zinc/07/35/34/1087073534.db2.gz NXCDZESEDKNJCI-IRXDYDNUSA-N 2 1 302.462 3.015 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(OC)cc3C2)C1 ZINC001168252191 1087073540 /nfs/dbraw/zinc/07/35/40/1087073540.db2.gz NXCDZESEDKNJCI-IRXDYDNUSA-N 2 1 302.462 3.015 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001168258191 1087075847 /nfs/dbraw/zinc/07/58/47/1087075847.db2.gz XXHFCSNFRWXJNF-IBGZPJMESA-N 2 1 322.452 3.112 20 0 DGADMP CC(C)(C)C[N@H+](C1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168365115 1087381912 /nfs/dbraw/zinc/38/19/12/1087381912.db2.gz LXZQRJCRUUHOJE-IYARVYRRSA-N 3 1 321.553 3.479 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCN(CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168365115 1087381922 /nfs/dbraw/zinc/38/19/22/1087381922.db2.gz LXZQRJCRUUHOJE-IYARVYRRSA-N 2 1 321.553 3.479 20 0 DGADMP CC(C)(C)C[N@H+](C1CCN(CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168365115 1087381929 /nfs/dbraw/zinc/38/19/29/1087381929.db2.gz LXZQRJCRUUHOJE-IYARVYRRSA-N 2 1 321.553 3.479 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(Cl)c1O ZINC001168365955 1087391269 /nfs/dbraw/zinc/39/12/69/1087391269.db2.gz GSHUXGXADHPBMO-UHFFFAOYSA-N 2 1 324.852 3.018 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)[C@H](C)C1 ZINC001168419895 1087600238 /nfs/dbraw/zinc/60/02/38/1087600238.db2.gz FNLARDTUXWVFBZ-NIKGAXFTSA-N 2 1 304.453 3.391 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001206641604 1087776715 /nfs/dbraw/zinc/77/67/15/1087776715.db2.gz ZTWTUBUJRJBGNE-HNNXBMFYSA-N 2 1 318.852 3.087 20 0 DGADMP CCc1cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)n1 ZINC001158523148 1087889437 /nfs/dbraw/zinc/88/94/37/1087889437.db2.gz GTFAMWBCZQEJCT-HZPDHXFCSA-N 2 1 324.472 3.447 20 0 DGADMP Cc1c[nH+]c(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1N ZINC001158521693 1087890528 /nfs/dbraw/zinc/89/05/28/1087890528.db2.gz LFLSQQRMAVZFGX-HZPDHXFCSA-N 2 1 310.445 3.071 20 0 DGADMP COc1ccc2[nH+]c(NCC34CC[NH+](CC3)CC4)cc(C)c2c1 ZINC001158827315 1088055614 /nfs/dbraw/zinc/05/56/14/1088055614.db2.gz PONBQTRFDJIHIT-UHFFFAOYSA-N 2 1 311.429 3.450 20 0 DGADMP c1ccc2c(c1)CC[NH2+]C21CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001159010684 1088137259 /nfs/dbraw/zinc/13/72/59/1088137259.db2.gz LOVVHQRZXYLJAP-UHFFFAOYSA-N 2 1 319.452 3.212 20 0 DGADMP C[C@@H]1CCc2cc(N)ccc2[N@@H+]1c1ccc(N2CC[NH2+]CC2)cc1 ZINC001159447516 1088353062 /nfs/dbraw/zinc/35/30/62/1088353062.db2.gz NEIPSKTTYZKVOW-OAHLLOKOSA-N 2 1 322.456 3.151 20 0 DGADMP C[C@@H]1CCc2cc(N)ccc2[N@H+]1c1ccc(N2CC[NH2+]CC2)cc1 ZINC001159447516 1088353078 /nfs/dbraw/zinc/35/30/78/1088353078.db2.gz NEIPSKTTYZKVOW-OAHLLOKOSA-N 2 1 322.456 3.151 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880100 1088394803 /nfs/dbraw/zinc/39/48/03/1088394803.db2.gz YGFFBXUCNMRMCG-YQJUVHNHSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880100 1088394814 /nfs/dbraw/zinc/39/48/14/1088394814.db2.gz YGFFBXUCNMRMCG-YQJUVHNHSA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880100 1088394825 /nfs/dbraw/zinc/39/48/25/1088394825.db2.gz YGFFBXUCNMRMCG-YQJUVHNHSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154070368 1088461825 /nfs/dbraw/zinc/46/18/25/1088461825.db2.gz ZXNFBZIEQHUEPI-MRXNPFEDSA-N 2 1 313.530 3.124 20 0 DGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070368 1088461827 /nfs/dbraw/zinc/46/18/27/1088461827.db2.gz ZXNFBZIEQHUEPI-MRXNPFEDSA-N 2 1 313.530 3.124 20 0 DGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070368 1088461835 /nfs/dbraw/zinc/46/18/35/1088461835.db2.gz ZXNFBZIEQHUEPI-MRXNPFEDSA-N 2 1 313.530 3.124 20 0 DGADMP C[C@]1(F)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206673644 1088636897 /nfs/dbraw/zinc/63/68/97/1088636897.db2.gz IWXCMHBDCSUUAI-IBGZPJMESA-N 2 1 320.452 3.233 20 0 DGADMP C[C@]1(F)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206673644 1088636910 /nfs/dbraw/zinc/63/69/10/1088636910.db2.gz IWXCMHBDCSUUAI-IBGZPJMESA-N 2 1 320.452 3.233 20 0 DGADMP Cc1nc(N(CC[NH3+])c2cccc3ccccc32)cc(N(C)C)[nH+]1 ZINC001154680148 1088709423 /nfs/dbraw/zinc/70/94/23/1088709423.db2.gz UMWJNVNFJPGCNL-UHFFFAOYSA-N 2 1 321.428 3.101 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)c2cc1F ZINC001155028602 1088903449 /nfs/dbraw/zinc/90/34/49/1088903449.db2.gz DFOZEDSJWJYLNW-TZMCWYRMSA-N 2 1 317.408 3.430 20 0 DGADMP CC(C)(c1ccnc(Cl)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063328 1088924989 /nfs/dbraw/zinc/92/49/89/1088924989.db2.gz PCJUYUSLZBVOSB-UHFFFAOYSA-N 2 1 304.825 3.182 20 0 DGADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160739507 1088936899 /nfs/dbraw/zinc/93/68/99/1088936899.db2.gz MWCCMLSZOXLMRW-KBPBESRZSA-N 2 1 309.335 3.496 20 0 DGADMP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160741108 1088940075 /nfs/dbraw/zinc/94/00/75/1088940075.db2.gz QEJDSHBYWPHFCJ-ZIAGYGMSSA-N 2 1 309.335 3.496 20 0 DGADMP CC[N@@H+](CCc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236407082 1089046112 /nfs/dbraw/zinc/04/61/12/1089046112.db2.gz BFQLMGNQXSQXCW-CYBMUJFWSA-N 2 1 300.368 3.179 20 0 DGADMP CC[N@H+](Cc1ccc(Br)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236407806 1089053200 /nfs/dbraw/zinc/05/32/00/1089053200.db2.gz HRLMENJMBAWPIY-ZDUSSCGKSA-N 2 1 311.267 3.189 20 0 DGADMP CCC(CC)[NH+]1CCC(Nc2[nH+]cnc3[nH]cc(C)c32)CC1 ZINC001161095104 1089112327 /nfs/dbraw/zinc/11/23/27/1089112327.db2.gz QLMLQUZHCQWSKD-UHFFFAOYSA-N 2 1 301.438 3.331 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@H](Nc3[nH+]ccc4[nH]ccc43)C2)c1 ZINC001161188179 1089146218 /nfs/dbraw/zinc/14/62/18/1089146218.db2.gz SABDGTLTGLCDIG-HNNXBMFYSA-N 2 1 322.412 3.258 20 0 DGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155598562 1089179920 /nfs/dbraw/zinc/17/99/20/1089179920.db2.gz QKAYKKNCIICXOA-KXBFYZLASA-N 2 1 311.429 3.114 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC001206674785 1089192339 /nfs/dbraw/zinc/19/23/39/1089192339.db2.gz XDEDNDGHUZWBNS-ZWKOTPCHSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC001206674785 1089192351 /nfs/dbraw/zinc/19/23/51/1089192351.db2.gz XDEDNDGHUZWBNS-ZWKOTPCHSA-N 2 1 316.489 3.387 20 0 DGADMP Cc1c(C)n(-c2cc(-n3ccnc3)cc[nH+]2)c2ccc(C[NH3+])cc12 ZINC001155906824 1089296581 /nfs/dbraw/zinc/29/65/81/1089296581.db2.gz IYIBNANBZCLLJN-UHFFFAOYSA-N 2 1 317.396 3.287 20 0 DGADMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)nc2cc(Cl)ccc12 ZINC001161867867 1089446331 /nfs/dbraw/zinc/44/63/31/1089446331.db2.gz TUYNVEUELLZHRX-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cccc1C1CCOCC1 ZINC001162461732 1089746058 /nfs/dbraw/zinc/74/60/58/1089746058.db2.gz QWBLEWJRXBWXOL-ZBFHGGJFSA-N 2 1 303.450 3.023 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(C[NH+](C)C2CC2)cn1 ZINC001156925753 1089747367 /nfs/dbraw/zinc/74/73/67/1089747367.db2.gz OLBNXLUIXSINCP-INIZCTEOSA-N 2 1 316.493 3.352 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCNc1ccc(C[N@H+](C)C2CC2)cn1 ZINC001156925753 1089747382 /nfs/dbraw/zinc/74/73/82/1089747382.db2.gz OLBNXLUIXSINCP-INIZCTEOSA-N 2 1 316.493 3.352 20 0 DGADMP C[N@H+]1CCCC[C@@H]1c1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580166 1089806764 /nfs/dbraw/zinc/80/67/64/1089806764.db2.gz NUTCGHNJQNHFNS-AEFFLSMTSA-N 2 1 320.456 3.132 20 0 DGADMP CC(C)(C)OC(=O)Nc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc[nH+]1 ZINC001162982475 1090045318 /nfs/dbraw/zinc/04/53/18/1090045318.db2.gz BHMAGDSOXNMWSK-SUMWQHHRSA-N 2 1 318.421 3.125 20 0 DGADMP Cc1cc([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)ccc1N(C)C ZINC001163063734 1090068103 /nfs/dbraw/zinc/06/81/03/1090068103.db2.gz KYAJRBNRURHTJD-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP Fc1ccc2c(cc[nH+]c2N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001163646105 1090222724 /nfs/dbraw/zinc/22/27/24/1090222724.db2.gz KYTCRIJJMBRXHZ-FUHWJXTLSA-N 2 1 315.392 3.087 20 0 DGADMP Brc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237374204 1090303693 /nfs/dbraw/zinc/30/36/93/1090303693.db2.gz CRDAAGHMPDLTGM-GDBMZVCRSA-N 2 1 323.278 3.066 20 0 DGADMP CSc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1C ZINC001164216950 1090375251 /nfs/dbraw/zinc/37/52/51/1090375251.db2.gz NLKWRRGKTBFGDO-UHFFFAOYSA-N 2 1 307.507 3.155 20 0 DGADMP Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c1N ZINC001164486486 1090431385 /nfs/dbraw/zinc/43/13/85/1090431385.db2.gz ONIJFDYVRSGUNL-RCCFBDPRSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1c(N)cc[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164486257 1090431762 /nfs/dbraw/zinc/43/17/62/1090431762.db2.gz MKMWDBWBLRFNFC-YQVWRLOYSA-N 2 1 322.456 3.295 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000691313768 1090469673 /nfs/dbraw/zinc/46/96/73/1090469673.db2.gz BRKSBHCPPYYDOW-HSALFYBXSA-N 2 1 314.473 3.056 20 0 DGADMP COc1cc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]c2ccccc21 ZINC001165246202 1090488151 /nfs/dbraw/zinc/48/81/51/1090488151.db2.gz DGZBWFZIMCHZSE-UHFFFAOYSA-N 2 1 311.429 3.356 20 0 DGADMP Cc1c[nH+]c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(C)c1 ZINC001165670582 1090537047 /nfs/dbraw/zinc/53/70/47/1090537047.db2.gz SWERGJMECWMBOJ-INIZCTEOSA-N 2 1 317.477 3.214 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC001206717293 1090648508 /nfs/dbraw/zinc/64/85/08/1090648508.db2.gz GGXKGWPTOPWNRO-SFHVURJKSA-N 2 1 322.880 3.417 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001486188706 1090782685 /nfs/dbraw/zinc/78/26/85/1090782685.db2.gz XVFYVIIMCPKBRV-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001203749630 1090796400 /nfs/dbraw/zinc/79/64/00/1090796400.db2.gz NYPZLTSBZHPFQL-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1ccc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001203749630 1090796401 /nfs/dbraw/zinc/79/64/01/1090796401.db2.gz NYPZLTSBZHPFQL-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001203749414 1090796602 /nfs/dbraw/zinc/79/66/02/1090796602.db2.gz DOYHOQRIRKQJTD-HXUWFJFHSA-N 2 1 316.489 3.379 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001203749414 1090796608 /nfs/dbraw/zinc/79/66/08/1090796608.db2.gz DOYHOQRIRKQJTD-HXUWFJFHSA-N 2 1 316.489 3.379 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001203987024 1090858960 /nfs/dbraw/zinc/85/89/60/1090858960.db2.gz BPZOMTVNQVUBMM-SJORKVTESA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001203987024 1090858964 /nfs/dbraw/zinc/85/89/64/1090858964.db2.gz BPZOMTVNQVUBMM-SJORKVTESA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001203987024 1090858967 /nfs/dbraw/zinc/85/89/67/1090858967.db2.gz BPZOMTVNQVUBMM-SJORKVTESA-N 2 1 310.441 3.232 20 0 DGADMP C[C@@H](C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1)c1ccccc1 ZINC001276436866 1090881317 /nfs/dbraw/zinc/88/13/17/1090881317.db2.gz UEHCHROMLIACCA-KRWDZBQOSA-N 2 1 324.472 3.111 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)OCO2 ZINC001204056171 1090885309 /nfs/dbraw/zinc/88/53/09/1090885309.db2.gz RVNRIFGOQUKRER-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)OCO2 ZINC001204056171 1090885318 /nfs/dbraw/zinc/88/53/18/1090885318.db2.gz RVNRIFGOQUKRER-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC001204056171 1090885327 /nfs/dbraw/zinc/88/53/27/1090885327.db2.gz RVNRIFGOQUKRER-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC001204056171 1090885331 /nfs/dbraw/zinc/88/53/31/1090885331.db2.gz RVNRIFGOQUKRER-DLBZAZTESA-N 2 1 316.445 3.254 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204077307 1090893269 /nfs/dbraw/zinc/89/32/69/1090893269.db2.gz OHPMCFBHWBENCN-RTWAWAEBSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204077307 1090893276 /nfs/dbraw/zinc/89/32/76/1090893276.db2.gz OHPMCFBHWBENCN-RTWAWAEBSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082625 1090896190 /nfs/dbraw/zinc/89/61/90/1090896190.db2.gz ZDQBORXSHWHPIO-NHCUHLMSSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082625 1090896197 /nfs/dbraw/zinc/89/61/97/1090896197.db2.gz ZDQBORXSHWHPIO-NHCUHLMSSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001204082625 1090896204 /nfs/dbraw/zinc/89/62/04/1090896204.db2.gz ZDQBORXSHWHPIO-NHCUHLMSSA-N 2 1 321.468 3.426 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC3(CN(C4CCCC4)C3)C2)CC1 ZINC001276453838 1090937048 /nfs/dbraw/zinc/93/70/48/1090937048.db2.gz PPBOVUCOOANHSS-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C)(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276453838 1090937053 /nfs/dbraw/zinc/93/70/53/1090937053.db2.gz PPBOVUCOOANHSS-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276453838 1090937058 /nfs/dbraw/zinc/93/70/58/1090937058.db2.gz PPBOVUCOOANHSS-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(C)(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276453838 1090937064 /nfs/dbraw/zinc/93/70/64/1090937064.db2.gz PPBOVUCOOANHSS-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC001204268045 1090937352 /nfs/dbraw/zinc/93/73/52/1090937352.db2.gz ZDGKCQSWMBZZEU-UHFFFAOYSA-N 2 1 313.445 3.044 20 0 DGADMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)C(c1ccccc1)c1ccccc1 ZINC001204646215 1091011653 /nfs/dbraw/zinc/01/16/53/1091011653.db2.gz ODGFRJSTMCRUKG-LJQANCHMSA-N 2 1 310.441 3.086 20 0 DGADMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)C(c1ccccc1)c1ccccc1 ZINC001204646214 1091011767 /nfs/dbraw/zinc/01/17/67/1091011767.db2.gz ODGFRJSTMCRUKG-IBGZPJMESA-N 2 1 310.441 3.086 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204734948 1091025482 /nfs/dbraw/zinc/02/54/82/1091025482.db2.gz GRHUKGXXXQVWST-UHFFFAOYSA-N 2 1 324.472 3.351 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1F ZINC001204742142 1091027682 /nfs/dbraw/zinc/02/76/82/1091027682.db2.gz IOLZTBXYAZNTIT-UHFFFAOYSA-N 2 1 306.425 3.190 20 0 DGADMP Clc1ccc2c(c1)C[N@H+](CC1CC3(C1)CC[NH2+]CC3)CC2 ZINC001204854824 1091048318 /nfs/dbraw/zinc/04/83/18/1091048318.db2.gz RYXVZZNYXFGGNN-UHFFFAOYSA-N 2 1 304.865 3.478 20 0 DGADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204919076 1091063144 /nfs/dbraw/zinc/06/31/44/1091063144.db2.gz UHEOJIKSDIUNFT-OWZKRDHZSA-N 2 1 308.425 3.424 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c(Br)c1 ZINC001204918801 1091063180 /nfs/dbraw/zinc/06/31/80/1091063180.db2.gz MIXDYPKMYWSRKU-QKDCVEJESA-N 2 1 323.278 3.209 20 0 DGADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3cccc(OCC4CCCCC4)c3)C[C@H]21 ZINC001204919305 1091063207 /nfs/dbraw/zinc/06/32/07/1091063207.db2.gz YIIDEABNQRHOLQ-OWZKRDHZSA-N 2 1 314.473 3.282 20 0 DGADMP C[NH+](C)CC1(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)CCCC1 ZINC001276477977 1091070136 /nfs/dbraw/zinc/07/01/36/1091070136.db2.gz KWJAESNCWJWKKI-PKOBYXMFSA-N 2 1 319.537 3.057 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001205009285 1091083051 /nfs/dbraw/zinc/08/30/51/1091083051.db2.gz MHBYNYPTUWIEGR-ZDUSSCGKSA-N 2 1 316.367 3.325 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001205009285 1091083058 /nfs/dbraw/zinc/08/30/58/1091083058.db2.gz MHBYNYPTUWIEGR-ZDUSSCGKSA-N 2 1 316.367 3.325 20 0 DGADMP COc1c(C[NH+]2CCC(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001205058228 1091092425 /nfs/dbraw/zinc/09/24/25/1091092425.db2.gz HDLIVLWWGVZQKH-UHFFFAOYSA-N 2 1 303.233 3.173 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(OC(F)(F)F)c1 ZINC001205110754 1091105346 /nfs/dbraw/zinc/10/53/46/1091105346.db2.gz ZQKMTQCUDPMBTJ-CYBMUJFWSA-N 2 1 302.340 3.207 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205116630 1091106645 /nfs/dbraw/zinc/10/66/45/1091106645.db2.gz FDICIUHMQOSZLW-NSHDSACASA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205116630 1091106647 /nfs/dbraw/zinc/10/66/47/1091106647.db2.gz FDICIUHMQOSZLW-NSHDSACASA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001205231140 1091140137 /nfs/dbraw/zinc/14/01/37/1091140137.db2.gz WZBYYTZJGFDTOS-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205280938 1091161988 /nfs/dbraw/zinc/16/19/88/1091161988.db2.gz MLTNIRCGXCBDIZ-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205280938 1091161996 /nfs/dbraw/zinc/16/19/96/1091161996.db2.gz MLTNIRCGXCBDIZ-OAHLLOKOSA-N 2 1 316.367 3.417 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205289242 1091167049 /nfs/dbraw/zinc/16/70/49/1091167049.db2.gz VCMAINUAFMBHOM-OAHLLOKOSA-N 2 1 302.340 3.130 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205289242 1091167054 /nfs/dbraw/zinc/16/70/54/1091167054.db2.gz VCMAINUAFMBHOM-OAHLLOKOSA-N 2 1 302.340 3.130 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205289241 1091167275 /nfs/dbraw/zinc/16/72/75/1091167275.db2.gz VCMAINUAFMBHOM-HNNXBMFYSA-N 2 1 302.340 3.130 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205289241 1091167278 /nfs/dbraw/zinc/16/72/78/1091167278.db2.gz VCMAINUAFMBHOM-HNNXBMFYSA-N 2 1 302.340 3.130 20 0 DGADMP C[C@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205296705 1091169021 /nfs/dbraw/zinc/16/90/21/1091169021.db2.gz SSZAAAZUVGXCSD-HKUYNNGSSA-N 2 1 304.478 3.290 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205296707 1091170823 /nfs/dbraw/zinc/17/08/23/1091170823.db2.gz SSZAAAZUVGXCSD-MJGOQNOKSA-N 2 1 304.478 3.290 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001138410387 1091172526 /nfs/dbraw/zinc/17/25/26/1091172526.db2.gz ARNHMHFHWZAPKX-SFHVURJKSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001138410387 1091172533 /nfs/dbraw/zinc/17/25/33/1091172533.db2.gz ARNHMHFHWZAPKX-SFHVURJKSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001138410387 1091172538 /nfs/dbraw/zinc/17/25/38/1091172538.db2.gz ARNHMHFHWZAPKX-SFHVURJKSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001138410387 1091172544 /nfs/dbraw/zinc/17/25/44/1091172544.db2.gz ARNHMHFHWZAPKX-SFHVURJKSA-N 2 1 301.409 3.143 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001138410387 1091172551 /nfs/dbraw/zinc/17/25/51/1091172551.db2.gz ARNHMHFHWZAPKX-SFHVURJKSA-N 2 1 301.409 3.143 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205304641 1091175576 /nfs/dbraw/zinc/17/55/76/1091175576.db2.gz OPMUWNORZHYIED-WCQYABFASA-N 2 1 316.367 3.131 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@H]1C[NH3+] ZINC001205305067 1091176560 /nfs/dbraw/zinc/17/65/60/1091176560.db2.gz QUPMYPVGISLNPQ-DNVCBOLYSA-N 2 1 311.473 3.323 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C[C@@H]1C[NH3+] ZINC001205316407 1091180008 /nfs/dbraw/zinc/18/00/08/1091180008.db2.gz IHNVTCKHNYXYEZ-HOCLYGCPSA-N 2 1 313.420 3.304 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC001334753478 1091187292 /nfs/dbraw/zinc/18/72/92/1091187292.db2.gz FDFZQZWDTAHNDC-ONGXEEELSA-N 2 1 317.296 3.236 20 0 DGADMP c1ccc([C@H]2CC[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001205339914 1091191410 /nfs/dbraw/zinc/19/14/10/1091191410.db2.gz NVNKJKJRVSKDBJ-FQEVSTJZSA-N 2 1 321.468 3.086 20 0 DGADMP COc1ccc2[nH]cc(C[N@@H+](C(C)C)C3CCN(C)CC3)c2c1 ZINC001138513361 1091212883 /nfs/dbraw/zinc/21/28/83/1091212883.db2.gz YPOXKYJMDURWKZ-UHFFFAOYSA-N 2 1 315.461 3.481 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc1 ZINC001138544528 1091221332 /nfs/dbraw/zinc/22/13/32/1091221332.db2.gz KUJGHEPPLDWLDY-LJQANCHMSA-N 2 1 311.429 3.326 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1 ZINC001138544528 1091221341 /nfs/dbraw/zinc/22/13/41/1091221341.db2.gz KUJGHEPPLDWLDY-LJQANCHMSA-N 2 1 311.429 3.326 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CCOC3)CC2)cc1 ZINC001138543443 1091222239 /nfs/dbraw/zinc/22/22/39/1091222239.db2.gz OSNJXNJOUVGGPD-UHFFFAOYSA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC001138547400 1091223607 /nfs/dbraw/zinc/22/36/07/1091223607.db2.gz MPFDVCAZJHPZNW-HXUWFJFHSA-N 2 1 324.472 3.241 20 0 DGADMP COCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547751 1091224174 /nfs/dbraw/zinc/22/41/74/1091224174.db2.gz SZVKVQWEQNZWEY-UHFFFAOYSA-N 2 1 313.445 3.429 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001138547413 1091224641 /nfs/dbraw/zinc/22/46/41/1091224641.db2.gz MUVWDHBNZWKOKD-UHFFFAOYSA-N 2 1 312.461 3.098 20 0 DGADMP Cc1nccn1-c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001138547413 1091224652 /nfs/dbraw/zinc/22/46/52/1091224652.db2.gz MUVWDHBNZWKOKD-UHFFFAOYSA-N 2 1 312.461 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)cc1 ZINC001138550468 1091225359 /nfs/dbraw/zinc/22/53/59/1091225359.db2.gz ULMBLIWDJKZDOB-LJQANCHMSA-N 2 1 312.461 3.095 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)cc1 ZINC001138550468 1091225366 /nfs/dbraw/zinc/22/53/66/1091225366.db2.gz ULMBLIWDJKZDOB-LJQANCHMSA-N 2 1 312.461 3.095 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC001138549198 1091226256 /nfs/dbraw/zinc/22/62/56/1091226256.db2.gz RAVGMWHZMAHSLC-IBGZPJMESA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC001138549198 1091226270 /nfs/dbraw/zinc/22/62/70/1091226270.db2.gz RAVGMWHZMAHSLC-IBGZPJMESA-N 2 1 311.429 3.183 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205545478 1091248589 /nfs/dbraw/zinc/24/85/89/1091248589.db2.gz HXXNTYJGKZEYOQ-CQSZACIVSA-N 2 1 322.321 3.497 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001205545291 1091248612 /nfs/dbraw/zinc/24/86/12/1091248612.db2.gz CDJUZTLICFVSFP-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Cl)cncc2Cl)CC1 ZINC001205558020 1091252083 /nfs/dbraw/zinc/25/20/83/1091252083.db2.gz AOLVPBZNWJOZBG-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Cl)cncc2Cl)CC1 ZINC001205558020 1091252093 /nfs/dbraw/zinc/25/20/93/1091252093.db2.gz AOLVPBZNWJOZBG-ZDUSSCGKSA-N 2 1 306.212 3.041 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205558016 1091252258 /nfs/dbraw/zinc/25/22/58/1091252258.db2.gz AMIBARBQMAOVPY-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP CCc1cccc2c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c[nH]c21 ZINC001205559038 1091253283 /nfs/dbraw/zinc/25/32/83/1091253283.db2.gz NFZGYRWWQBPVOJ-GOSISDBHSA-N 2 1 303.425 3.383 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205571649 1091258976 /nfs/dbraw/zinc/25/89/76/1091258976.db2.gz WUSANUACNVBJPH-SFHVURJKSA-N 2 1 317.408 3.303 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1F ZINC001205571624 1091259273 /nfs/dbraw/zinc/25/92/73/1091259273.db2.gz WIUNZQPJINESPC-INIZCTEOSA-N 2 1 316.367 3.016 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205571277 1091259353 /nfs/dbraw/zinc/25/93/53/1091259353.db2.gz SHZAJWYZCARSKE-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205571648 1091259816 /nfs/dbraw/zinc/25/98/16/1091259816.db2.gz WUSANUACNVBJPH-GOSISDBHSA-N 2 1 317.408 3.303 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205579473 1091264224 /nfs/dbraw/zinc/26/42/24/1091264224.db2.gz NBIZJGWPRJRBCM-HNNXBMFYSA-N 2 1 300.805 3.002 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1OC(C)C ZINC001205580111 1091265021 /nfs/dbraw/zinc/26/50/21/1091265021.db2.gz QAEFQKSPSHLWCA-GOSISDBHSA-N 2 1 308.441 3.435 20 0 DGADMP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205579303 1091265336 /nfs/dbraw/zinc/26/53/36/1091265336.db2.gz MOXUVAGGEUPOBM-CQSZACIVSA-N 2 1 320.239 3.350 20 0 DGADMP Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205579303 1091265343 /nfs/dbraw/zinc/26/53/43/1091265343.db2.gz MOXUVAGGEUPOBM-CQSZACIVSA-N 2 1 320.239 3.350 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001205582674 1091266529 /nfs/dbraw/zinc/26/65/29/1091266529.db2.gz XZGFCSUVFWNSAH-SFHVURJKSA-N 2 1 319.399 3.474 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cc2)C1 ZINC001205599658 1091274061 /nfs/dbraw/zinc/27/40/61/1091274061.db2.gz BUGYKLDSJNQYSX-FQEVSTJZSA-N 2 1 321.468 3.182 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1C[NH3+] ZINC001205618551 1091283440 /nfs/dbraw/zinc/28/34/40/1091283440.db2.gz XCXPEMOQYMVSGY-IAGOWNOFSA-N 2 1 301.478 3.094 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205627082 1091286367 /nfs/dbraw/zinc/28/63/67/1091286367.db2.gz MKWNWXLQOPVKFA-RHSMWYFYSA-N 2 1 313.445 3.457 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205625981 1091286692 /nfs/dbraw/zinc/28/66/92/1091286692.db2.gz DIGNMGIRLXDAAU-GHMZBOCLSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(N3CCCC3)c2)CC[C@@H]1C[NH3+] ZINC001205638438 1091291871 /nfs/dbraw/zinc/29/18/71/1091291871.db2.gz NVXMGBQTWRICME-SJLPKXTDSA-N 2 1 301.478 3.094 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)ccc2s1 ZINC001205638872 1091291951 /nfs/dbraw/zinc/29/19/51/1091291951.db2.gz SSDBQIGZFHZXTB-DOMZBBRYSA-N 2 1 303.475 3.412 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)ccnc12 ZINC001205653711 1091298085 /nfs/dbraw/zinc/29/80/85/1091298085.db2.gz UQQHZYUDECMTHP-CABCVRRESA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)CC[C@@H]1C[NH3+] ZINC001205652990 1091298540 /nfs/dbraw/zinc/29/85/40/1091298540.db2.gz RSNYYDHRTKDLAT-NVXWUHKLSA-N 2 1 319.468 3.233 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@@H]1C[NH3+] ZINC001205655271 1091298732 /nfs/dbraw/zinc/29/87/32/1091298732.db2.gz ZBYABGWYGMCHAG-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@H]1C[NH3+] ZINC001205655274 1091299300 /nfs/dbraw/zinc/29/93/00/1091299300.db2.gz ZBYABGWYGMCHAG-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC001138771798 1091322625 /nfs/dbraw/zinc/32/26/25/1091322625.db2.gz DPZZVZQCEYKUNT-UHFFFAOYSA-N 2 1 314.429 3.385 20 0 DGADMP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138768906 1091323730 /nfs/dbraw/zinc/32/37/30/1091323730.db2.gz GQRINSMPAKHBSG-UHFFFAOYSA-N 2 1 324.468 3.494 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc(Cl)c2)CCC1(F)F ZINC001205736469 1091324851 /nfs/dbraw/zinc/32/48/51/1091324851.db2.gz YYAPPNUJXJMVNQ-CYBMUJFWSA-N 2 1 302.796 3.189 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001205735289 1091325676 /nfs/dbraw/zinc/32/56/76/1091325676.db2.gz MMODSZWLZHZBPF-MRXNPFEDSA-N 2 1 324.877 3.230 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001205735289 1091325684 /nfs/dbraw/zinc/32/56/84/1091325684.db2.gz MMODSZWLZHZBPF-MRXNPFEDSA-N 2 1 324.877 3.230 20 0 DGADMP COCC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772531 1091325768 /nfs/dbraw/zinc/32/57/68/1091325768.db2.gz NYQZVTVTURTJLO-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC001205796262 1091351819 /nfs/dbraw/zinc/35/18/19/1091351819.db2.gz PYWXKPJNCQNDNA-OAHLLOKOSA-N 2 1 312.404 3.198 20 0 DGADMP Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC001205796262 1091351832 /nfs/dbraw/zinc/35/18/32/1091351832.db2.gz PYWXKPJNCQNDNA-OAHLLOKOSA-N 2 1 312.404 3.198 20 0 DGADMP Cc1cccnc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205813803 1091362103 /nfs/dbraw/zinc/36/21/03/1091362103.db2.gz JRSDBTWRPPYUQZ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205813803 1091362110 /nfs/dbraw/zinc/36/21/10/1091362110.db2.gz JRSDBTWRPPYUQZ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205813803 1091362121 /nfs/dbraw/zinc/36/21/21/1091362121.db2.gz JRSDBTWRPPYUQZ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205813803 1091362131 /nfs/dbraw/zinc/36/21/31/1091362131.db2.gz JRSDBTWRPPYUQZ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205813803 1091362141 /nfs/dbraw/zinc/36/21/41/1091362141.db2.gz JRSDBTWRPPYUQZ-VQTJNVASSA-N 2 1 321.468 3.344 20 0 DGADMP CCCCOc1cccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)c1 ZINC001138958049 1091393272 /nfs/dbraw/zinc/39/32/72/1091393272.db2.gz SMZBGOKRHIYPAR-QZTJIDSGSA-N 2 1 302.462 3.249 20 0 DGADMP Cc1ccc(Cl)c(C)c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164217247 1091400435 /nfs/dbraw/zinc/40/04/35/1091400435.db2.gz RSBNIOVRUVQEPH-UHFFFAOYSA-N 2 1 309.885 3.395 20 0 DGADMP CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)cc1OCC ZINC001138975518 1091404209 /nfs/dbraw/zinc/40/42/09/1091404209.db2.gz KMNBXJLDEGTXKH-UHFFFAOYSA-N 2 1 308.466 3.258 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1OCC ZINC001138975518 1091404212 /nfs/dbraw/zinc/40/42/12/1091404212.db2.gz KMNBXJLDEGTXKH-UHFFFAOYSA-N 2 1 308.466 3.258 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205913243 1091408127 /nfs/dbraw/zinc/40/81/27/1091408127.db2.gz IAAGAHMXKCLUJD-GXTWGEPZSA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205913243 1091408133 /nfs/dbraw/zinc/40/81/33/1091408133.db2.gz IAAGAHMXKCLUJD-GXTWGEPZSA-N 2 1 324.852 3.076 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915802 1091409479 /nfs/dbraw/zinc/40/94/79/1091409479.db2.gz QOKICLQSFUPWFE-ZIAGYGMSSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001205915802 1091409483 /nfs/dbraw/zinc/40/94/83/1091409483.db2.gz QOKICLQSFUPWFE-ZIAGYGMSSA-N 2 1 318.852 3.085 20 0 DGADMP [NH3+][C@@H]1CCCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001205924860 1091415163 /nfs/dbraw/zinc/41/51/63/1091415163.db2.gz UJSLEDXJEFXNDT-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001205924860 1091415175 /nfs/dbraw/zinc/41/51/75/1091415175.db2.gz UJSLEDXJEFXNDT-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1CC ZINC001206002749 1091443252 /nfs/dbraw/zinc/44/32/52/1091443252.db2.gz AIZGPHVIQWJWNY-CRAIPNDOSA-N 2 1 304.478 3.455 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCC[C@@H]1C[NH3+] ZINC001206003348 1091443350 /nfs/dbraw/zinc/44/33/50/1091443350.db2.gz HACLOCXWIPONSY-UKRRQHHQSA-N 2 1 316.424 3.023 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OCC)c1 ZINC001206003167 1091444347 /nfs/dbraw/zinc/44/43/47/1091444347.db2.gz FQOVNUYERYYIQE-HZPDHXFCSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206012772 1091449334 /nfs/dbraw/zinc/44/93/34/1091449334.db2.gz NRHPHKFYTNJYKA-VXGBXAGGSA-N 2 1 316.367 3.218 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013171 1091449533 /nfs/dbraw/zinc/44/95/33/1091449533.db2.gz PVLVYHUUEFUUMT-QAPCUYQASA-N 2 1 324.472 3.259 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206012770 1091450150 /nfs/dbraw/zinc/45/01/50/1091450150.db2.gz NRHPHKFYTNJYKA-NWDGAFQWSA-N 2 1 316.367 3.218 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206012343 1091450185 /nfs/dbraw/zinc/45/01/85/1091450185.db2.gz KRPDLLJLCPEYDN-QWHCGFSZSA-N 2 1 312.404 3.170 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206015015 1091451542 /nfs/dbraw/zinc/45/15/42/1091451542.db2.gz ZKLAQWSANVHBIC-YPMHNXCESA-N 2 1 316.367 3.218 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206014094 1091451900 /nfs/dbraw/zinc/45/19/00/1091451900.db2.gz VYZURXUQRABITK-CHWSQXEVSA-N 2 1 312.404 3.170 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206025184 1091454886 /nfs/dbraw/zinc/45/48/86/1091454886.db2.gz MQQYUDMYAMKEMB-LSDHHAIUSA-N 2 1 308.441 3.421 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CCC[C@@H]1C[NH3+] ZINC001206022209 1091455216 /nfs/dbraw/zinc/45/52/16/1091455216.db2.gz BLTKFOBBTLRPSO-ZIAGYGMSSA-N 2 1 301.409 3.181 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC(C)C)c1 ZINC001206024133 1091455987 /nfs/dbraw/zinc/45/59/87/1091455987.db2.gz HYBMKUVPCNHQMA-HZPDHXFCSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CCC[C@H]1C[NH3+] ZINC001206026253 1091457165 /nfs/dbraw/zinc/45/71/65/1091457165.db2.gz RCYWUCOMOGPHCW-RDJZCZTQSA-N 2 1 319.468 3.233 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206037860 1091462666 /nfs/dbraw/zinc/46/26/66/1091462666.db2.gz YHJXDOCIJPPIBL-STQMWFEESA-N 2 1 312.404 3.170 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001206036809 1091464183 /nfs/dbraw/zinc/46/41/83/1091464183.db2.gz QNMWKEJCDUVMBT-WMZOPIPTSA-N 2 1 319.493 3.376 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3nsnc3c2)CC1 ZINC001139214319 1091490936 /nfs/dbraw/zinc/49/09/36/1091490936.db2.gz NBDOTYRUZWHEPM-UHFFFAOYSA-N 2 1 318.490 3.388 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3nsnc3c2)CC1 ZINC001139214319 1091490940 /nfs/dbraw/zinc/49/09/40/1091490940.db2.gz NBDOTYRUZWHEPM-UHFFFAOYSA-N 2 1 318.490 3.388 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206172907 1091519536 /nfs/dbraw/zinc/51/95/36/1091519536.db2.gz CLKZYONYJQNZBY-DLBZAZTESA-N 2 1 321.827 3.392 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206172907 1091519543 /nfs/dbraw/zinc/51/95/43/1091519543.db2.gz CLKZYONYJQNZBY-DLBZAZTESA-N 2 1 321.827 3.392 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)CC[C@H]1F ZINC001206175650 1091523261 /nfs/dbraw/zinc/52/32/61/1091523261.db2.gz WRQICFZSTUACSF-CABCVRRESA-N 2 1 305.422 3.071 20 0 DGADMP COc1ccc2sc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206197694 1091530282 /nfs/dbraw/zinc/53/02/82/1091530282.db2.gz JADSYWWXJZZODF-GJZGRUSLSA-N 2 1 308.422 3.171 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC001206214873 1091538560 /nfs/dbraw/zinc/53/85/60/1091538560.db2.gz GCTMAOANSMKFLU-BRWVUGGUSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001206284768 1091561443 /nfs/dbraw/zinc/56/14/43/1091561443.db2.gz GZIFRUGZVMXBBX-QGZVFWFLSA-N 2 1 310.441 3.307 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001206284768 1091561450 /nfs/dbraw/zinc/56/14/50/1091561450.db2.gz GZIFRUGZVMXBBX-QGZVFWFLSA-N 2 1 310.441 3.307 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[NH+]1CCCC1 ZINC001206303121 1091569084 /nfs/dbraw/zinc/56/90/84/1091569084.db2.gz XAHXKAKLZXWCDN-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[NH+]1CCCC1 ZINC001206308490 1091571348 /nfs/dbraw/zinc/57/13/48/1091571348.db2.gz DGNNCNIVDPQTEX-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)CC[NH+](C)C)c2C1 ZINC001295453093 1091571828 /nfs/dbraw/zinc/57/18/28/1091571828.db2.gz FPJYHHSYLIXQLA-HNNXBMFYSA-N 2 1 317.477 3.185 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318715 1091577935 /nfs/dbraw/zinc/57/79/35/1091577935.db2.gz SVYTWAKTPUDBEB-FQEVSTJZSA-N 2 1 324.472 3.403 20 0 DGADMP NC[C@@]1(F)CCCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206335487 1091582810 /nfs/dbraw/zinc/58/28/10/1091582810.db2.gz FGJCMRMCKPLLMY-IBGZPJMESA-N 2 1 319.468 3.056 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206335487 1091582817 /nfs/dbraw/zinc/58/28/17/1091582817.db2.gz FGJCMRMCKPLLMY-IBGZPJMESA-N 2 1 319.468 3.056 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001206335487 1091582823 /nfs/dbraw/zinc/58/28/23/1091582823.db2.gz FGJCMRMCKPLLMY-IBGZPJMESA-N 2 1 319.468 3.056 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c2c1ccnc2Cl ZINC001206335659 1091583745 /nfs/dbraw/zinc/58/37/45/1091583745.db2.gz HPTSBJDUWNNEPB-QGZVFWFLSA-N 2 1 320.868 3.178 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001206344067 1091587573 /nfs/dbraw/zinc/58/75/73/1091587573.db2.gz MKXIXSBEUWUAJE-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001206344067 1091587583 /nfs/dbraw/zinc/58/75/83/1091587583.db2.gz MKXIXSBEUWUAJE-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)c1C ZINC001206352245 1091590884 /nfs/dbraw/zinc/59/08/84/1091590884.db2.gz RVASLVXWCKYCMO-SFHVURJKSA-N 2 1 308.441 3.273 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)c1C ZINC001206352245 1091590890 /nfs/dbraw/zinc/59/08/90/1091590890.db2.gz RVASLVXWCKYCMO-SFHVURJKSA-N 2 1 308.441 3.273 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139645043 1091632656 /nfs/dbraw/zinc/63/26/56/1091632656.db2.gz ZXXZOHNMHXDXFS-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139645043 1091632663 /nfs/dbraw/zinc/63/26/63/1091632663.db2.gz ZXXZOHNMHXDXFS-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139645043 1091632670 /nfs/dbraw/zinc/63/26/70/1091632670.db2.gz ZXXZOHNMHXDXFS-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001206500648 1091651412 /nfs/dbraw/zinc/65/14/12/1091651412.db2.gz OCUVSHINPJKXBJ-UHFFFAOYSA-N 2 1 303.233 3.260 20 0 DGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(C)c(Br)c1 ZINC001139731348 1091657866 /nfs/dbraw/zinc/65/78/66/1091657866.db2.gz LIJXJSHEWQRCEI-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1OC(C)C ZINC001206547019 1091664078 /nfs/dbraw/zinc/66/40/78/1091664078.db2.gz AQEWFWHZNMDQGN-IBGZPJMESA-N 2 1 320.477 3.433 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001206575732 1091674763 /nfs/dbraw/zinc/67/47/63/1091674763.db2.gz XJPTUNUXOJCQHO-GOSISDBHSA-N 2 1 306.425 3.102 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001206575732 1091674769 /nfs/dbraw/zinc/67/47/69/1091674769.db2.gz XJPTUNUXOJCQHO-GOSISDBHSA-N 2 1 306.425 3.102 20 0 DGADMP Cn1ccc(-c2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2)n1 ZINC001206582254 1091678347 /nfs/dbraw/zinc/67/83/47/1091678347.db2.gz NAZCGVRHUPJSOX-IBGZPJMESA-N 2 1 312.461 3.038 20 0 DGADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc(F)c1F ZINC001206599338 1091684324 /nfs/dbraw/zinc/68/43/24/1091684324.db2.gz RKSNMVGXAMJZTQ-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP [NH3+]C[C@H]1CCCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206607369 1091687501 /nfs/dbraw/zinc/68/75/01/1091687501.db2.gz ZQJPNVFRHCPMBI-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607369 1091687506 /nfs/dbraw/zinc/68/75/06/1091687506.db2.gz ZQJPNVFRHCPMBI-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001206607369 1091687515 /nfs/dbraw/zinc/68/75/15/1091687515.db2.gz ZQJPNVFRHCPMBI-UXHICEINSA-N 2 1 315.505 3.102 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(Cc1cccc(N)n1)C2 ZINC001276491650 1091710680 /nfs/dbraw/zinc/71/06/80/1091710680.db2.gz HFQVUUSBFKCDRP-MRXNPFEDSA-N 2 1 316.493 3.140 20 0 DGADMP c1cc(C[NH+]2CCCCCCC2)ccc1C[NH+]1CCOCC1 ZINC001206717197 1091710739 /nfs/dbraw/zinc/71/07/39/1091710739.db2.gz NRPCXYLLEKPSTQ-UHFFFAOYSA-N 2 1 302.462 3.285 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1C(F)(F)F ZINC001206761055 1091728276 /nfs/dbraw/zinc/72/82/76/1091728276.db2.gz SBYHXDUBGQJJRE-STQMWFEESA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])CN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001206761144 1091728420 /nfs/dbraw/zinc/72/84/20/1091728420.db2.gz USXJIQSLZXWKCT-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])CN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001206761145 1091729006 /nfs/dbraw/zinc/72/90/06/1091729006.db2.gz USXJIQSLZXWKCT-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206767421 1091730116 /nfs/dbraw/zinc/73/01/16/1091730116.db2.gz BDVDQEBEVRDEFA-CABCVRRESA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206767421 1091730122 /nfs/dbraw/zinc/73/01/22/1091730122.db2.gz BDVDQEBEVRDEFA-CABCVRRESA-N 2 1 306.450 3.042 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206768119 1091731920 /nfs/dbraw/zinc/73/19/20/1091731920.db2.gz HISVJTRGEGETQD-QWHCGFSZSA-N 2 1 324.852 3.076 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206768119 1091731922 /nfs/dbraw/zinc/73/19/22/1091731922.db2.gz HISVJTRGEGETQD-QWHCGFSZSA-N 2 1 324.852 3.076 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769770 1091733398 /nfs/dbraw/zinc/73/33/98/1091733398.db2.gz QFTKBJRVDOAYDG-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001206769770 1091733402 /nfs/dbraw/zinc/73/34/02/1091733402.db2.gz QFTKBJRVDOAYDG-JQWIXIFHSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCc1ccccn1 ZINC001140023381 1091741261 /nfs/dbraw/zinc/74/12/61/1091741261.db2.gz MQGWVCATCYZUSA-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCc1ccccn1 ZINC001140023381 1091741267 /nfs/dbraw/zinc/74/12/67/1091741267.db2.gz MQGWVCATCYZUSA-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCN(C)CC1 ZINC001140028358 1091743827 /nfs/dbraw/zinc/74/38/27/1091743827.db2.gz SNXJDDGHWGNBKC-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCN(C)CC1 ZINC001140028358 1091743834 /nfs/dbraw/zinc/74/38/34/1091743834.db2.gz SNXJDDGHWGNBKC-UHFFFAOYSA-N 2 1 312.461 3.097 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OC(C)C)c1 ZINC001206810130 1091749098 /nfs/dbraw/zinc/74/90/98/1091749098.db2.gz NDHOKHHZNSHMOY-CABCVRRESA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OC(C)C)c1 ZINC001206810130 1091749102 /nfs/dbraw/zinc/74/91/02/1091749102.db2.gz NDHOKHHZNSHMOY-CABCVRRESA-N 2 1 306.450 3.042 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001206810567 1091749498 /nfs/dbraw/zinc/74/94/98/1091749498.db2.gz OCGHUWMONNNUGU-RYUDHWBXSA-N 2 1 319.836 3.153 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OC(C)C)c1 ZINC001206810133 1091749693 /nfs/dbraw/zinc/74/96/93/1091749693.db2.gz NDHOKHHZNSHMOY-GJZGRUSLSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OC(C)C)c1 ZINC001206810133 1091749700 /nfs/dbraw/zinc/74/97/00/1091749700.db2.gz NDHOKHHZNSHMOY-GJZGRUSLSA-N 2 1 306.450 3.042 20 0 DGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC001206819730 1091753274 /nfs/dbraw/zinc/75/32/74/1091753274.db2.gz PZKJNFCJRBBGNN-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC001206819730 1091753280 /nfs/dbraw/zinc/75/32/80/1091753280.db2.gz PZKJNFCJRBBGNN-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(C[C@H]1CCC[NH+](C)C1)C2 ZINC001276496439 1091759132 /nfs/dbraw/zinc/75/91/32/1091759132.db2.gz BZVXAUMTSXCUTL-OALUTQOASA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CCC12CN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001276496439 1091759142 /nfs/dbraw/zinc/75/91/42/1091759142.db2.gz BZVXAUMTSXCUTL-OALUTQOASA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CCC12CN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001276496439 1091759149 /nfs/dbraw/zinc/75/91/49/1091759149.db2.gz BZVXAUMTSXCUTL-OALUTQOASA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)c2c1 ZINC001140333689 1091830010 /nfs/dbraw/zinc/83/00/10/1091830010.db2.gz MOALFDMUIAZOPJ-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-c4cncnc4)cc3)C2)CC1 ZINC001140353462 1091839644 /nfs/dbraw/zinc/83/96/44/1091839644.db2.gz ITCNWXILDDBTIJ-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001207112317 1091850308 /nfs/dbraw/zinc/85/03/08/1091850308.db2.gz IRLGAZTYCIBQLV-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001207174126 1091873929 /nfs/dbraw/zinc/87/39/29/1091873929.db2.gz HJAUAUYNLFSKNT-DLBZAZTESA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001207174126 1091873938 /nfs/dbraw/zinc/87/39/38/1091873938.db2.gz HJAUAUYNLFSKNT-DLBZAZTESA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1nccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001207174126 1091873946 /nfs/dbraw/zinc/87/39/46/1091873946.db2.gz HJAUAUYNLFSKNT-DLBZAZTESA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1nccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001207174126 1091873951 /nfs/dbraw/zinc/87/39/51/1091873951.db2.gz HJAUAUYNLFSKNT-DLBZAZTESA-N 2 1 304.482 3.303 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001140482118 1091882379 /nfs/dbraw/zinc/88/23/79/1091882379.db2.gz QCUHZSQWGSBYDM-MRXNPFEDSA-N 2 1 316.376 3.191 20 0 DGADMP COc1cc(F)cc(CN2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001140482118 1091882385 /nfs/dbraw/zinc/88/23/85/1091882385.db2.gz QCUHZSQWGSBYDM-MRXNPFEDSA-N 2 1 316.376 3.191 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001140536562 1091900761 /nfs/dbraw/zinc/90/07/61/1091900761.db2.gz SCZWTVFLXIMMGW-UHFFFAOYSA-N 2 1 312.379 3.412 20 0 DGADMP COc1ccccc1OC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207283207 1091911001 /nfs/dbraw/zinc/91/10/01/1091911001.db2.gz VRLNVFNBUSSJGQ-UHFFFAOYSA-N 2 1 320.477 3.126 20 0 DGADMP COC[C@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286328 1091912717 /nfs/dbraw/zinc/91/27/17/1091912717.db2.gz GEEGOVNDBYNAPF-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC001207399794 1091954921 /nfs/dbraw/zinc/95/49/21/1091954921.db2.gz SVSYBHBFVGBRAH-IBGZPJMESA-N 2 1 316.489 3.292 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001140710691 1091968202 /nfs/dbraw/zinc/96/82/02/1091968202.db2.gz RDOLLPPVKOWJQH-PMACEKPBSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001140710691 1091968212 /nfs/dbraw/zinc/96/82/12/1091968212.db2.gz RDOLLPPVKOWJQH-PMACEKPBSA-N 2 1 309.457 3.359 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001140710691 1091968220 /nfs/dbraw/zinc/96/82/20/1091968220.db2.gz RDOLLPPVKOWJQH-PMACEKPBSA-N 2 1 309.457 3.359 20 0 DGADMP Clc1cccc([C@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207438675 1091968487 /nfs/dbraw/zinc/96/84/87/1091968487.db2.gz DPSKTWAHALKEDZ-MRXNPFEDSA-N 2 1 310.894 3.430 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207438721 1091968675 /nfs/dbraw/zinc/96/86/75/1091968675.db2.gz FOIFTMAWHOVGNU-KRWDZBQOSA-N 2 1 308.853 3.183 20 0 DGADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1nc2ccccc2s1 ZINC001207482631 1091982482 /nfs/dbraw/zinc/98/24/82/1091982482.db2.gz ZIXJCBLPXDIDLP-UHFFFAOYSA-N 2 1 303.475 3.460 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207487213 1091984392 /nfs/dbraw/zinc/98/43/92/1091984392.db2.gz SXZGJLBVHLNIFP-GOSISDBHSA-N 2 1 315.505 3.097 20 0 DGADMP C[NH+]1CCC(CC[NH+](Cc2cccnc2)Cc2cccnc2)CC1 ZINC001207485590 1091984557 /nfs/dbraw/zinc/98/45/57/1091984557.db2.gz XRDOCMNMKQIMID-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001207489280 1091987187 /nfs/dbraw/zinc/98/71/87/1091987187.db2.gz YHPOZVXOLGEGES-UHFFFAOYSA-N 2 1 319.468 3.070 20 0 DGADMP CCO[C@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)C[NH+](C)C ZINC001207501475 1091993427 /nfs/dbraw/zinc/99/34/27/1091993427.db2.gz FNAREWVVCPNUAR-IPMKNSEASA-N 2 1 304.478 3.053 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805873 1092011840 /nfs/dbraw/zinc/01/18/40/1092011840.db2.gz PAPHDTNWDOKYET-INIZCTEOSA-N 2 1 322.412 3.310 20 0 DGADMP Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805873 1092011852 /nfs/dbraw/zinc/01/18/52/1092011852.db2.gz PAPHDTNWDOKYET-INIZCTEOSA-N 2 1 322.412 3.310 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140806885 1092013243 /nfs/dbraw/zinc/01/32/43/1092013243.db2.gz VYDXQHKFBQPMMO-INIZCTEOSA-N 2 1 311.360 3.355 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140806885 1092013254 /nfs/dbraw/zinc/01/32/54/1092013254.db2.gz VYDXQHKFBQPMMO-INIZCTEOSA-N 2 1 311.360 3.355 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@@H]3C2)c1 ZINC001207620024 1092043975 /nfs/dbraw/zinc/04/39/75/1092043975.db2.gz GOSHBWSYENGMKX-YYWYGQEZSA-N 2 1 314.498 3.324 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1N ZINC001140899375 1092055954 /nfs/dbraw/zinc/05/59/54/1092055954.db2.gz JOXMVKCYDYQCAU-KRWDZBQOSA-N 2 1 317.477 3.118 20 0 DGADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001298608256 1092078355 /nfs/dbraw/zinc/07/83/55/1092078355.db2.gz HRVCQBZTWWXPEN-UHFFFAOYSA-N 2 1 320.481 3.020 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001140971244 1092089358 /nfs/dbraw/zinc/08/93/58/1092089358.db2.gz MPYREUONODKZGG-HKUYNNGSSA-N 2 1 313.489 3.203 20 0 DGADMP C[C@H]1CC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001207814571 1092107974 /nfs/dbraw/zinc/10/79/74/1092107974.db2.gz YNNCYPUPCJORHD-YOEHRIQHSA-N 2 1 310.445 3.197 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001207845667 1092118464 /nfs/dbraw/zinc/11/84/64/1092118464.db2.gz IONSEZORQKNINO-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001207845667 1092118469 /nfs/dbraw/zinc/11/84/69/1092118469.db2.gz IONSEZORQKNINO-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001207845667 1092118474 /nfs/dbraw/zinc/11/84/74/1092118474.db2.gz IONSEZORQKNINO-GASCZTMLSA-N 2 1 312.379 3.131 20 0 DGADMP C1=C2CCC[N@H+](C[C@@H]3CCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207887164 1092129408 /nfs/dbraw/zinc/12/94/08/1092129408.db2.gz BSRHFAHASUVPNH-PXTPFGJHSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[NH+](C[C@@H]3CCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001207887164 1092129415 /nfs/dbraw/zinc/12/94/15/1092129415.db2.gz BSRHFAHASUVPNH-PXTPFGJHSA-N 2 1 316.489 3.060 20 0 DGADMP C1=C2CCC[NH+](C[C@@H]3CCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001207887164 1092129423 /nfs/dbraw/zinc/12/94/23/1092129423.db2.gz BSRHFAHASUVPNH-PXTPFGJHSA-N 2 1 316.489 3.060 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1)c1ccccc1 ZINC001207904407 1092134957 /nfs/dbraw/zinc/13/49/57/1092134957.db2.gz DIMLSJZCJOOVTE-RLLQIKCJSA-N 2 1 321.468 3.249 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cn[nH]c3)C[C@@H]21 ZINC001203094271 1092137936 /nfs/dbraw/zinc/13/79/36/1092137936.db2.gz UCHTUEZGJWCWCH-FHWLQOOXSA-N 2 1 310.445 3.020 20 0 DGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203094271 1092137940 /nfs/dbraw/zinc/13/79/40/1092137940.db2.gz UCHTUEZGJWCWCH-FHWLQOOXSA-N 2 1 310.445 3.020 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203094271 1092137945 /nfs/dbraw/zinc/13/79/45/1092137945.db2.gz UCHTUEZGJWCWCH-FHWLQOOXSA-N 2 1 310.445 3.020 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203094271 1092137952 /nfs/dbraw/zinc/13/79/52/1092137952.db2.gz UCHTUEZGJWCWCH-FHWLQOOXSA-N 2 1 310.445 3.020 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203094271 1092137958 /nfs/dbraw/zinc/13/79/58/1092137958.db2.gz UCHTUEZGJWCWCH-FHWLQOOXSA-N 2 1 310.445 3.020 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC001141270475 1092195311 /nfs/dbraw/zinc/19/53/11/1092195311.db2.gz XSKXTNYDFGDKEZ-UHFFFAOYSA-N 2 1 303.494 3.449 20 0 DGADMP C[NH+]1CCC(C)(C[N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001208112972 1092200068 /nfs/dbraw/zinc/20/00/68/1092200068.db2.gz CRQLIZVCLVOOSU-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc2c(c1)C[N@H+](CC1(C)CC[NH+](C)CC1)CCC2 ZINC001208112677 1092200622 /nfs/dbraw/zinc/20/06/22/1092200622.db2.gz XBORGRMSBQMDSV-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP Cc1ccc([C@H](C)CC[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)o1 ZINC001208156035 1092225775 /nfs/dbraw/zinc/22/57/75/1092225775.db2.gz NFCIUHCHZVHTSI-CQSZACIVSA-N 2 1 319.449 3.212 20 0 DGADMP C[NH+](C)CC1(C[N@H+](C)C[C@H]2Cc3ccccc3O2)CCCC1 ZINC001208187783 1092248336 /nfs/dbraw/zinc/24/83/36/1092248336.db2.gz AAPGPHMYIJKAMB-QGZVFWFLSA-N 2 1 302.462 3.044 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)CCCC1 ZINC001208187783 1092248351 /nfs/dbraw/zinc/24/83/51/1092248351.db2.gz AAPGPHMYIJKAMB-QGZVFWFLSA-N 2 1 302.462 3.044 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208184143 1092249608 /nfs/dbraw/zinc/24/96/08/1092249608.db2.gz KDRPWGNJJBHPEI-SFHVURJKSA-N 2 1 324.509 3.164 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CCCC1 ZINC001208188320 1092251218 /nfs/dbraw/zinc/25/12/18/1092251218.db2.gz XNPHFTOAXCNGCB-MRXNPFEDSA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CCCC1 ZINC001208192325 1092256411 /nfs/dbraw/zinc/25/64/11/1092256411.db2.gz ULEGIOFLBSEYCT-SFHVURJKSA-N 2 1 320.452 3.401 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208222122 1092277362 /nfs/dbraw/zinc/27/73/62/1092277362.db2.gz PPGPFGMDIURFSM-HNNXBMFYSA-N 2 1 318.461 3.010 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208222122 1092277370 /nfs/dbraw/zinc/27/73/70/1092277370.db2.gz PPGPFGMDIURFSM-HNNXBMFYSA-N 2 1 318.461 3.010 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001141990603 1092378826 /nfs/dbraw/zinc/37/88/26/1092378826.db2.gz KTVRNBFFHDBCOU-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001141990603 1092378840 /nfs/dbraw/zinc/37/88/40/1092378840.db2.gz KTVRNBFFHDBCOU-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001141990603 1092378854 /nfs/dbraw/zinc/37/88/54/1092378854.db2.gz KTVRNBFFHDBCOU-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001141990603 1092378864 /nfs/dbraw/zinc/37/88/64/1092378864.db2.gz KTVRNBFFHDBCOU-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP CC[N@H+]1CCCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208582548 1092409271 /nfs/dbraw/zinc/40/92/71/1092409271.db2.gz KOMPBEONHMSDNV-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208582548 1092409276 /nfs/dbraw/zinc/40/92/76/1092409276.db2.gz KOMPBEONHMSDNV-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208582548 1092409280 /nfs/dbraw/zinc/40/92/80/1092409280.db2.gz KOMPBEONHMSDNV-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC2(CN(Cc3[nH]c(C)[nH+]c3C)C2)C1 ZINC001276569762 1092415140 /nfs/dbraw/zinc/41/51/40/1092415140.db2.gz FKZJJSDKJRKHQO-KRWDZBQOSA-N 2 1 318.509 3.361 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001208600870 1092419000 /nfs/dbraw/zinc/41/90/00/1092419000.db2.gz YGPUFWQYOFNRFE-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC001208609097 1092423839 /nfs/dbraw/zinc/42/38/39/1092423839.db2.gz UUDLWBNKOLCXKB-NVXWUHKLSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC001208609097 1092423848 /nfs/dbraw/zinc/42/38/48/1092423848.db2.gz UUDLWBNKOLCXKB-NVXWUHKLSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC001208609097 1092423853 /nfs/dbraw/zinc/42/38/53/1092423853.db2.gz UUDLWBNKOLCXKB-NVXWUHKLSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC001208609097 1092423856 /nfs/dbraw/zinc/42/38/56/1092423856.db2.gz UUDLWBNKOLCXKB-NVXWUHKLSA-N 2 1 318.461 3.183 20 0 DGADMP COc1ccc(C2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208606929 1092424032 /nfs/dbraw/zinc/42/40/32/1092424032.db2.gz IXSRZPJNMNVLJZ-INIZCTEOSA-N 2 1 302.462 3.216 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607368 1092425817 /nfs/dbraw/zinc/42/58/17/1092425817.db2.gz MQQPLVDABJYBBL-MSOLQXFVSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607368 1092425823 /nfs/dbraw/zinc/42/58/23/1092425823.db2.gz MQQPLVDABJYBBL-MSOLQXFVSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607368 1092425826 /nfs/dbraw/zinc/42/58/26/1092425826.db2.gz MQQPLVDABJYBBL-MSOLQXFVSA-N 2 1 302.462 3.180 20 0 DGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615134 1092427456 /nfs/dbraw/zinc/42/74/56/1092427456.db2.gz QACFAORVUMRMOF-KRWDZBQOSA-N 2 1 307.526 3.057 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCC3CCCC3)C2)C1 ZINC001208694406 1092461548 /nfs/dbraw/zinc/46/15/48/1092461548.db2.gz ZKSLJDNDQPTTQW-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCC3CCCC3)C2)C1 ZINC001208694406 1092461562 /nfs/dbraw/zinc/46/15/62/1092461562.db2.gz ZKSLJDNDQPTTQW-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001208694406 1092461566 /nfs/dbraw/zinc/46/15/66/1092461566.db2.gz ZKSLJDNDQPTTQW-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001208694406 1092461575 /nfs/dbraw/zinc/46/15/75/1092461575.db2.gz ZKSLJDNDQPTTQW-IBGZPJMESA-N 2 1 308.510 3.390 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208787661 1092508475 /nfs/dbraw/zinc/50/84/75/1092508475.db2.gz KTSAODKQTNNWJA-QZTJIDSGSA-N 2 1 324.509 3.306 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3[nH]cnc32)CC1 ZINC001142696260 1092534675 /nfs/dbraw/zinc/53/46/75/1092534675.db2.gz JHSBQQPENXDPME-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC001169079704 1092535723 /nfs/dbraw/zinc/53/57/23/1092535723.db2.gz KNMUXTGOISNAKL-NNZMDNLPSA-N 2 1 301.478 3.036 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140212 1092540202 /nfs/dbraw/zinc/54/02/02/1092540202.db2.gz JAESLTXEYCWDEI-MUQADHOPSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140212 1092540210 /nfs/dbraw/zinc/54/02/10/1092540210.db2.gz JAESLTXEYCWDEI-MUQADHOPSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140212 1092540225 /nfs/dbraw/zinc/54/02/25/1092540225.db2.gz JAESLTXEYCWDEI-MUQADHOPSA-N 2 1 300.446 3.457 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccc(F)cc3)CC1)C2 ZINC001169117344 1092542513 /nfs/dbraw/zinc/54/25/13/1092542513.db2.gz YTNOLOAMPJWIAI-NNZMDNLPSA-N 2 1 302.437 3.363 20 0 DGADMP CCN(C)c1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]cc1C ZINC001169138363 1092549827 /nfs/dbraw/zinc/54/98/27/1092549827.db2.gz PZCJOTUPUDPGIX-KSSFIOAISA-N 2 1 319.497 3.197 20 0 DGADMP Cc1cc2c[nH+]c(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)nc2[nH]1 ZINC001169139383 1092551917 /nfs/dbraw/zinc/55/19/17/1092551917.db2.gz ZRVQEIMLKLYPTR-CXAGYDPISA-N 2 1 301.438 3.174 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(F)cc3)CC1)C2 ZINC001169141727 1092555216 /nfs/dbraw/zinc/55/52/16/1092555216.db2.gz SCTFEYFFGNMCIS-FVQHAEBGSA-N 2 1 318.436 3.294 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(F)c3)CCOCC1)C2 ZINC001169115046 1092557123 /nfs/dbraw/zinc/55/71/23/1092557123.db2.gz HDJDBFSCKHULTH-BCDXTJNWSA-N 2 1 318.436 3.046 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142890 1092559453 /nfs/dbraw/zinc/55/94/53/1092559453.db2.gz XCPXBWOPIVLVSA-QKPAOTATSA-N 2 1 322.399 3.043 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142890 1092559464 /nfs/dbraw/zinc/55/94/64/1092559464.db2.gz XCPXBWOPIVLVSA-QKPAOTATSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142890 1092559475 /nfs/dbraw/zinc/55/94/75/1092559475.db2.gz XCPXBWOPIVLVSA-QKPAOTATSA-N 2 1 322.399 3.043 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001169142890 1092559482 /nfs/dbraw/zinc/55/94/82/1092559482.db2.gz XCPXBWOPIVLVSA-QKPAOTATSA-N 2 1 322.399 3.043 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169155472 1092570351 /nfs/dbraw/zinc/57/03/51/1092570351.db2.gz PHFDKUWHQKXHDK-WNRNVDISSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169155472 1092570363 /nfs/dbraw/zinc/57/03/63/1092570363.db2.gz PHFDKUWHQKXHDK-WNRNVDISSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169155472 1092570372 /nfs/dbraw/zinc/57/03/72/1092570372.db2.gz PHFDKUWHQKXHDK-WNRNVDISSA-N 2 1 300.446 3.110 20 0 DGADMP c1ccc(N2CCC(CN3CCC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001208912346 1092582295 /nfs/dbraw/zinc/58/22/95/1092582295.db2.gz RMLYJYIBDRJIDM-FQEVSTJZSA-N 2 1 313.489 3.073 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@@H]4CCO[C@H]4C3)C2)cc1 ZINC001208933728 1092596439 /nfs/dbraw/zinc/59/64/39/1092596439.db2.gz GFJVPRIZTYAFJE-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)C2)cc1 ZINC001208933728 1092596451 /nfs/dbraw/zinc/59/64/51/1092596451.db2.gz GFJVPRIZTYAFJE-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@@H]4CCO[C@H]4C3)C2)cc1 ZINC001208933728 1092596459 /nfs/dbraw/zinc/59/64/59/1092596459.db2.gz GFJVPRIZTYAFJE-AQNXPRMDSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208933555 1092596843 /nfs/dbraw/zinc/59/68/43/1092596843.db2.gz WECVICFITHZXIF-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933555 1092596852 /nfs/dbraw/zinc/59/68/52/1092596852.db2.gz WECVICFITHZXIF-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208933555 1092596859 /nfs/dbraw/zinc/59/68/59/1092596859.db2.gz WECVICFITHZXIF-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932050 1092598204 /nfs/dbraw/zinc/59/82/04/1092598204.db2.gz NRFAGHQXJLXNDU-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932050 1092598210 /nfs/dbraw/zinc/59/82/10/1092598210.db2.gz NRFAGHQXJLXNDU-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932050 1092598219 /nfs/dbraw/zinc/59/82/19/1092598219.db2.gz NRFAGHQXJLXNDU-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC4(C3)CCOCC4)C2)cc1 ZINC001208936249 1092599966 /nfs/dbraw/zinc/59/99/66/1092599966.db2.gz NJNZBQYRUOZTPN-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208942362 1092602205 /nfs/dbraw/zinc/60/22/05/1092602205.db2.gz PPLOSEXCFQRJOO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208942362 1092602209 /nfs/dbraw/zinc/60/22/09/1092602209.db2.gz PPLOSEXCFQRJOO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208942362 1092602214 /nfs/dbraw/zinc/60/22/14/1092602214.db2.gz PPLOSEXCFQRJOO-VQTJNVASSA-N 2 1 314.473 3.011 20 0 DGADMP OCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208945221 1092602403 /nfs/dbraw/zinc/60/24/03/1092602403.db2.gz BNSZTERZMMZCNH-NRFANRHFSA-N 2 1 324.468 3.003 20 0 DGADMP OCC[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208945221 1092602409 /nfs/dbraw/zinc/60/24/09/1092602409.db2.gz BNSZTERZMMZCNH-NRFANRHFSA-N 2 1 324.468 3.003 20 0 DGADMP OCC[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945221 1092602411 /nfs/dbraw/zinc/60/24/11/1092602411.db2.gz BNSZTERZMMZCNH-NRFANRHFSA-N 2 1 324.468 3.003 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208943799 1092604782 /nfs/dbraw/zinc/60/47/82/1092604782.db2.gz UXPQNONXMTVQPY-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208943799 1092604788 /nfs/dbraw/zinc/60/47/88/1092604788.db2.gz UXPQNONXMTVQPY-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208943799 1092604794 /nfs/dbraw/zinc/60/47/94/1092604794.db2.gz UXPQNONXMTVQPY-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP CC[NH+]1CCC(n2ccc([C@@H](C)[NH2+]Cc3ccccc3)n2)CC1 ZINC001169264537 1092607183 /nfs/dbraw/zinc/60/71/83/1092607183.db2.gz HIVSMEJJIGLQKL-MRXNPFEDSA-N 2 1 312.461 3.391 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208953611 1092608222 /nfs/dbraw/zinc/60/82/22/1092608222.db2.gz RDZDJDPQCFCRQT-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208953611 1092608226 /nfs/dbraw/zinc/60/82/26/1092608226.db2.gz RDZDJDPQCFCRQT-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208953611 1092608229 /nfs/dbraw/zinc/60/82/29/1092608229.db2.gz RDZDJDPQCFCRQT-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208965025 1092612366 /nfs/dbraw/zinc/61/23/66/1092612366.db2.gz VJNOVUUQBNTPRM-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208965025 1092612369 /nfs/dbraw/zinc/61/23/69/1092612369.db2.gz VJNOVUUQBNTPRM-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208965025 1092612374 /nfs/dbraw/zinc/61/23/74/1092612374.db2.gz VJNOVUUQBNTPRM-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP CCN1CCC([N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001169246652 1092615138 /nfs/dbraw/zinc/61/51/38/1092615138.db2.gz TUMBSSODPKPISU-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169246652 1092615144 /nfs/dbraw/zinc/61/51/44/1092615144.db2.gz TUMBSSODPKPISU-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169246652 1092615147 /nfs/dbraw/zinc/61/51/47/1092615147.db2.gz TUMBSSODPKPISU-MRXNPFEDSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC(Cc3ccccc3OC)CC2)CC1 ZINC001169248837 1092616565 /nfs/dbraw/zinc/61/65/65/1092616565.db2.gz CPSSDQJIUNGTII-UHFFFAOYSA-N 2 1 316.489 3.434 20 0 DGADMP COCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209052598 1092635074 /nfs/dbraw/zinc/63/50/74/1092635074.db2.gz VTNAFUHXLXHWEZ-SZMVWBNQSA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209052598 1092635084 /nfs/dbraw/zinc/63/50/84/1092635084.db2.gz VTNAFUHXLXHWEZ-SZMVWBNQSA-N 2 1 322.518 3.317 20 0 DGADMP COCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209052598 1092635087 /nfs/dbraw/zinc/63/50/87/1092635087.db2.gz VTNAFUHXLXHWEZ-SZMVWBNQSA-N 2 1 322.518 3.317 20 0 DGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c2ccccc21 ZINC001169369288 1092656833 /nfs/dbraw/zinc/65/68/33/1092656833.db2.gz ZWAAYIXUMWGMEM-DYVFJYSZSA-N 2 1 323.444 3.065 20 0 DGADMP C[N@H+](CCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001209123851 1092661611 /nfs/dbraw/zinc/66/16/11/1092661611.db2.gz KGQWMTHYGJJTLL-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001209123851 1092661616 /nfs/dbraw/zinc/66/16/16/1092661616.db2.gz KGQWMTHYGJJTLL-UHFFFAOYSA-N 2 1 300.368 3.274 20 0 DGADMP O=c1cc(CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617353 1092663666 /nfs/dbraw/zinc/66/36/66/1092663666.db2.gz GZYOUSYOCKGDPY-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617353 1092663667 /nfs/dbraw/zinc/66/36/67/1092663667.db2.gz GZYOUSYOCKGDPY-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617353 1092663669 /nfs/dbraw/zinc/66/36/69/1092663669.db2.gz GZYOUSYOCKGDPY-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617353 1092663672 /nfs/dbraw/zinc/66/36/72/1092663672.db2.gz GZYOUSYOCKGDPY-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP O=c1cc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH]1 ZINC001276617353 1092663673 /nfs/dbraw/zinc/66/36/73/1092663673.db2.gz GZYOUSYOCKGDPY-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP CN1CCC[C@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127501 1092666199 /nfs/dbraw/zinc/66/61/99/1092666199.db2.gz VVHBDGMBDJJYQH-HOCLYGCPSA-N 2 1 312.379 3.274 20 0 DGADMP C[N@@H+]1CCC[C@H]2CN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127501 1092666202 /nfs/dbraw/zinc/66/62/02/1092666202.db2.gz VVHBDGMBDJJYQH-HOCLYGCPSA-N 2 1 312.379 3.274 20 0 DGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206631892 1092727964 /nfs/dbraw/zinc/72/79/64/1092727964.db2.gz CCYUQDUSBXAJSD-HNNXBMFYSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412953 1092763814 /nfs/dbraw/zinc/76/38/14/1092763814.db2.gz JBUSAOIXVSDKJD-DSJDWBEOSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412953 1092763819 /nfs/dbraw/zinc/76/38/19/1092763819.db2.gz JBUSAOIXVSDKJD-DSJDWBEOSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412953 1092763824 /nfs/dbraw/zinc/76/38/24/1092763824.db2.gz JBUSAOIXVSDKJD-DSJDWBEOSA-N 2 1 313.489 3.270 20 0 DGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209412953 1092763829 /nfs/dbraw/zinc/76/38/29/1092763829.db2.gz JBUSAOIXVSDKJD-DSJDWBEOSA-N 2 1 313.489 3.270 20 0 DGADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC001276647090 1092796893 /nfs/dbraw/zinc/79/68/93/1092796893.db2.gz XOUXYJVVRMWNCZ-HXUWFJFHSA-N 2 1 321.553 3.306 20 0 DGADMP Cc1nccn1-c1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001276664298 1092877901 /nfs/dbraw/zinc/87/79/01/1092877901.db2.gz RKLLCVQMDGTZBL-UHFFFAOYSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001276664298 1092877909 /nfs/dbraw/zinc/87/79/09/1092877909.db2.gz RKLLCVQMDGTZBL-UHFFFAOYSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001276664298 1092877914 /nfs/dbraw/zinc/87/79/14/1092877914.db2.gz RKLLCVQMDGTZBL-UHFFFAOYSA-N 3 1 324.472 3.098 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(OC(C)C)c1 ZINC001206639933 1092879335 /nfs/dbraw/zinc/87/93/35/1092879335.db2.gz GWAYOTPONCCZKX-HNNXBMFYSA-N 2 1 306.450 3.043 20 0 DGADMP Clc1ccc2[nH]c(C[N@@H+]3CCc4nccn4CC3)cc2c1 ZINC001209721052 1092891534 /nfs/dbraw/zinc/89/15/34/1092891534.db2.gz AZFLZUVCODPVTR-UHFFFAOYSA-N 2 1 300.793 3.076 20 0 DGADMP Clc1ccc2[nH]c(CN3CCc4nccn4CC3)cc2c1 ZINC001209721052 1092891538 /nfs/dbraw/zinc/89/15/38/1092891538.db2.gz AZFLZUVCODPVTR-UHFFFAOYSA-N 2 1 300.793 3.076 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(C)C)c(OC)c1 ZINC001276668905 1092907828 /nfs/dbraw/zinc/90/78/28/1092907828.db2.gz UAPUPRBPFZUOQF-ALOPSCKCSA-N 2 1 318.461 3.197 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(C)C)c(OC)c1 ZINC001276668905 1092907837 /nfs/dbraw/zinc/90/78/37/1092907837.db2.gz UAPUPRBPFZUOQF-ALOPSCKCSA-N 2 1 318.461 3.197 20 0 DGADMP Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC001209781057 1092919317 /nfs/dbraw/zinc/91/93/17/1092919317.db2.gz DDKSEUUHLQXSHG-KRWDZBQOSA-N 2 1 311.429 3.109 20 0 DGADMP [NH3+]CC1C[NH+](Cc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 ZINC001210546253 1093203375 /nfs/dbraw/zinc/20/33/75/1093203375.db2.gz VFETWCXROJCHCI-UHFFFAOYSA-N 2 1 321.424 3.137 20 0 DGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210583982 1093219339 /nfs/dbraw/zinc/21/93/39/1093219339.db2.gz BOCJZGILMSPCIY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303393164 1093808414 /nfs/dbraw/zinc/80/84/14/1093808414.db2.gz JZKBIOVHSXUDSF-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303393164 1093808418 /nfs/dbraw/zinc/80/84/18/1093808418.db2.gz JZKBIOVHSXUDSF-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723085 1093989714 /nfs/dbraw/zinc/98/97/14/1093989714.db2.gz CHMCZIPJYVAOJE-FQEVSTJZSA-N 2 1 324.472 3.385 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723085 1093989717 /nfs/dbraw/zinc/98/97/17/1093989717.db2.gz CHMCZIPJYVAOJE-FQEVSTJZSA-N 2 1 324.472 3.385 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723085 1093989721 /nfs/dbraw/zinc/98/97/21/1093989721.db2.gz CHMCZIPJYVAOJE-FQEVSTJZSA-N 2 1 324.472 3.385 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC001276723085 1093989724 /nfs/dbraw/zinc/98/97/24/1093989724.db2.gz CHMCZIPJYVAOJE-FQEVSTJZSA-N 2 1 324.472 3.385 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCCC3(CN(C4CCCC4)C3)C2)CC1 ZINC001276725704 1094023113 /nfs/dbraw/zinc/02/31/13/1094023113.db2.gz DFYCXNJUAJBPCA-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(CC[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276725704 1094023119 /nfs/dbraw/zinc/02/31/19/1094023119.db2.gz DFYCXNJUAJBPCA-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276725704 1094023127 /nfs/dbraw/zinc/02/31/27/1094023127.db2.gz DFYCXNJUAJBPCA-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(CCN2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276725704 1094023130 /nfs/dbraw/zinc/02/31/30/1094023130.db2.gz DFYCXNJUAJBPCA-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cc(OC)ccc2o1 ZINC001276727385 1094031592 /nfs/dbraw/zinc/03/15/92/1094031592.db2.gz QMRONZUAKCHICH-GOOCMWNKSA-N 2 1 300.402 3.156 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cc(OC)ccc2o1 ZINC001276727385 1094031599 /nfs/dbraw/zinc/03/15/99/1094031599.db2.gz QMRONZUAKCHICH-GOOCMWNKSA-N 2 1 300.402 3.156 20 0 DGADMP CNc1cc(Nc2c[nH+]c3ccc(Br)cn23)cc[nH+]1 ZINC001216333135 1094176847 /nfs/dbraw/zinc/17/68/47/1094176847.db2.gz IFLBEJIWFKZBSA-UHFFFAOYSA-N 2 1 318.178 3.277 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001276741334 1094204918 /nfs/dbraw/zinc/20/49/18/1094204918.db2.gz UFTIDDRGIVATRH-HXUWFJFHSA-N 2 1 316.489 3.436 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC001276746608 1094255229 /nfs/dbraw/zinc/25/52/29/1094255229.db2.gz YHZIFJRMZOBYBH-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001119954886 1094320212 /nfs/dbraw/zinc/32/02/12/1094320212.db2.gz SJUKEZWIYCQDQT-INIZCTEOSA-N 2 1 301.409 3.056 20 0 DGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001120045627 1094360938 /nfs/dbraw/zinc/36/09/38/1094360938.db2.gz ALJBJIZYMBMOKV-SREVYHEPSA-N 2 1 323.525 3.093 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001120466309 1094434621 /nfs/dbraw/zinc/43/46/21/1094434621.db2.gz BXAHHSZYLXBFKO-HXUWFJFHSA-N 2 1 321.424 3.312 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC001120482320 1094440583 /nfs/dbraw/zinc/44/05/83/1094440583.db2.gz XUZNTINKIATGHQ-OAHLLOKOSA-N 2 1 318.383 3.059 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC001120482320 1094440585 /nfs/dbraw/zinc/44/05/85/1094440585.db2.gz XUZNTINKIATGHQ-OAHLLOKOSA-N 2 1 318.383 3.059 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccccc1F ZINC001120561654 1094456246 /nfs/dbraw/zinc/45/62/46/1094456246.db2.gz QVUMWKBMTWPSCE-LJQANCHMSA-N 2 1 320.452 3.103 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc3c1OCCC3)CC2 ZINC001276758697 1094474340 /nfs/dbraw/zinc/47/43/40/1094474340.db2.gz GMBHMPUJRIQKPS-UHFFFAOYSA-N 2 1 318.436 3.068 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001217712753 1094481168 /nfs/dbraw/zinc/48/11/68/1094481168.db2.gz FCDXVLUGIYRJLO-XHSDSOJGSA-N 2 1 314.433 3.072 20 0 DGADMP CC(C)c1ccc(-c2nnc([C@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217725946 1094483629 /nfs/dbraw/zinc/48/36/29/1094483629.db2.gz WWQXLWYDLSGRSC-MRXNPFEDSA-N 2 1 314.433 3.250 20 0 DGADMP CC1(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001217823081 1094500188 /nfs/dbraw/zinc/50/01/88/1094500188.db2.gz MNYSXUZZDDUXGU-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823020 1094500538 /nfs/dbraw/zinc/50/05/38/1094500538.db2.gz KBMQUSCSZYZOHI-UYAOXDASSA-N 2 1 316.489 3.447 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCSCC2)c1 ZINC001276763888 1094513923 /nfs/dbraw/zinc/51/39/23/1094513923.db2.gz HQSUNKSJCNSRCO-AYHJJNSGSA-N 2 1 319.518 3.243 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC001217908510 1094516225 /nfs/dbraw/zinc/51/62/25/1094516225.db2.gz GXBLDMLLWXKZNZ-SJLPKXTDSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001217967354 1094534097 /nfs/dbraw/zinc/53/40/97/1094534097.db2.gz REYJCKUPSNWSKH-UWJYYQICSA-N 2 1 324.468 3.477 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135860714 1094721849 /nfs/dbraw/zinc/72/18/49/1094721849.db2.gz GUPKRAKSAKAKLG-DLBZAZTESA-N 2 1 323.525 3.092 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000309706253 1094757869 /nfs/dbraw/zinc/75/78/69/1094757869.db2.gz HWANGOJKKCTTCO-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP [NH3+]Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001218410734 1094760045 /nfs/dbraw/zinc/76/00/45/1094760045.db2.gz MBDHYLBEHLFEIM-GOSISDBHSA-N 2 1 316.832 3.452 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135980958 1094773647 /nfs/dbraw/zinc/77/36/47/1094773647.db2.gz VJKUMOQRIMNJIN-DLBZAZTESA-N 2 1 323.525 3.092 20 0 DGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135980959 1094773815 /nfs/dbraw/zinc/77/38/15/1094773815.db2.gz VJKUMOQRIMNJIN-IAGOWNOFSA-N 2 1 323.525 3.092 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC001135996205 1094786339 /nfs/dbraw/zinc/78/63/39/1094786339.db2.gz QYGPPNGLRTYPRE-SJORKVTESA-N 2 1 313.530 3.027 20 0 DGADMP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000313676986 1095016748 /nfs/dbraw/zinc/01/67/48/1095016748.db2.gz JJZUHDLFYBNYEI-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000313676986 1095016762 /nfs/dbraw/zinc/01/67/62/1095016762.db2.gz JJZUHDLFYBNYEI-OCCSQVGLSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246109002 1095038683 /nfs/dbraw/zinc/03/86/83/1095038683.db2.gz IDKICVYOUIJZKP-CMPLNLGQSA-N 2 1 302.796 3.281 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000314204055 1095039798 /nfs/dbraw/zinc/03/97/98/1095039798.db2.gz NUVJHNCTWCYYNF-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000314204055 1095039814 /nfs/dbraw/zinc/03/98/14/1095039814.db2.gz NUVJHNCTWCYYNF-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP CCCCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207912 1095100070 /nfs/dbraw/zinc/10/00/70/1095100070.db2.gz QVBXREWSMSOBIK-GJZGRUSLSA-N 2 1 300.487 3.384 20 0 DGADMP CCCOc1ccc(OCC[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000316734633 1095188995 /nfs/dbraw/zinc/18/89/95/1095188995.db2.gz FXVBCOSNYAFRNK-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143646307 1095331031 /nfs/dbraw/zinc/33/10/31/1095331031.db2.gz NGWMWSUOENTBJQ-UHFFFAOYSA-N 2 1 318.383 3.488 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141182 1095453986 /nfs/dbraw/zinc/45/39/86/1095453986.db2.gz HNRHZVHTUGTFJA-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141182 1095453989 /nfs/dbraw/zinc/45/39/89/1095453989.db2.gz HNRHZVHTUGTFJA-MRXNPFEDSA-N 2 1 312.379 3.323 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c[nH]c21 ZINC001222148031 1095457102 /nfs/dbraw/zinc/45/71/02/1095457102.db2.gz IGBMVVZFFJFHBW-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c[nH]c21 ZINC001222148031 1095457113 /nfs/dbraw/zinc/45/71/13/1095457113.db2.gz IGBMVVZFFJFHBW-KRWDZBQOSA-N 2 1 303.837 3.397 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222147819 1095457885 /nfs/dbraw/zinc/45/78/85/1095457885.db2.gz BHRCKGCRXLRBAJ-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222147819 1095457890 /nfs/dbraw/zinc/45/78/90/1095457890.db2.gz BHRCKGCRXLRBAJ-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001222155262 1095463264 /nfs/dbraw/zinc/46/32/64/1095463264.db2.gz YXDCAFXDULRCES-IEBWSBKVSA-N 2 1 308.510 3.437 20 0 DGADMP c1cnc2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)ccc2n1 ZINC001222160267 1095467392 /nfs/dbraw/zinc/46/73/92/1095467392.db2.gz DLSXNLHWILPVRL-HXUWFJFHSA-N 2 1 324.472 3.376 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(C)n1 ZINC001222167266 1095473354 /nfs/dbraw/zinc/47/33/54/1095473354.db2.gz JKKCADFYJYMRKW-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(C)n1 ZINC001222167266 1095473366 /nfs/dbraw/zinc/47/33/66/1095473366.db2.gz JKKCADFYJYMRKW-IBGZPJMESA-N 2 1 317.477 3.144 20 0 DGADMP Nc1cccc(F)c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167361 1095473403 /nfs/dbraw/zinc/47/34/03/1095473403.db2.gz KUASXHDWZUKLCT-SFHVURJKSA-N 2 1 305.441 3.154 20 0 DGADMP Nc1cccc(F)c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167361 1095473411 /nfs/dbraw/zinc/47/34/11/1095473411.db2.gz KUASXHDWZUKLCT-SFHVURJKSA-N 2 1 305.441 3.154 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222216104 1095496127 /nfs/dbraw/zinc/49/61/27/1095496127.db2.gz WCDIOVXOFGOPTF-DLBZAZTESA-N 2 1 324.509 3.210 20 0 DGADMP c1ccc(COCCCC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222264495 1095519236 /nfs/dbraw/zinc/51/92/36/1095519236.db2.gz BXALTEQROOLAQR-FQEVSTJZSA-N 2 1 316.489 3.449 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309267 1095540525 /nfs/dbraw/zinc/54/05/25/1095540525.db2.gz PDVTZLILNSWBJH-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222308769 1095541094 /nfs/dbraw/zinc/54/10/94/1095541094.db2.gz MMKIKOFRIUDTPR-LJQANCHMSA-N 2 1 302.462 3.236 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222310377 1095543801 /nfs/dbraw/zinc/54/38/01/1095543801.db2.gz ULASZAWARCBHGF-KRWDZBQOSA-N 2 1 310.388 3.396 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222326140 1095552114 /nfs/dbraw/zinc/55/21/14/1095552114.db2.gz RISFSWYINAENPV-GOSISDBHSA-N 2 1 306.425 3.251 20 0 DGADMP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222326504 1095555195 /nfs/dbraw/zinc/55/51/95/1095555195.db2.gz ZJRUKEVQUKJNJA-SFHVURJKSA-N 2 1 306.425 3.251 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222326504 1095555205 /nfs/dbraw/zinc/55/52/05/1095555205.db2.gz ZJRUKEVQUKJNJA-SFHVURJKSA-N 2 1 306.425 3.251 20 0 DGADMP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+]2CCC23CCCCC3)c1 ZINC001222401511 1095595836 /nfs/dbraw/zinc/59/58/36/1095595836.db2.gz UTVPXCZJSKFXEF-UHFFFAOYSA-N 2 1 313.489 3.000 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407367 1095600965 /nfs/dbraw/zinc/60/09/65/1095600965.db2.gz GYYGYGXDIDOIKS-UHFFFAOYSA-N 2 1 324.468 3.350 20 0 DGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3c[nH+]c4c(c3)CCCN4)c2c1 ZINC001171166711 1095615938 /nfs/dbraw/zinc/61/59/38/1095615938.db2.gz FEIBDRKJSLANQZ-AWEZNQCLSA-N 2 1 320.440 3.360 20 0 DGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccn4c[nH+]cc34)c2c1 ZINC001171168187 1095620973 /nfs/dbraw/zinc/62/09/73/1095620973.db2.gz PJXMTBUKEZHDFU-CQSZACIVSA-N 2 1 304.397 3.476 20 0 DGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccn4c[nH+]cc34)c2c1 ZINC001171168186 1095622020 /nfs/dbraw/zinc/62/20/20/1095622020.db2.gz PJXMTBUKEZHDFU-AWEZNQCLSA-N 2 1 304.397 3.476 20 0 DGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC001116711699 1095641166 /nfs/dbraw/zinc/64/11/66/1095641166.db2.gz YVFOLNUCOVQEBS-SFHVURJKSA-N 2 1 316.493 3.142 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc2)C1 ZINC001222505446 1095645361 /nfs/dbraw/zinc/64/53/61/1095645361.db2.gz PKSCPLVQIAJVJH-LJQANCHMSA-N 2 1 324.472 3.065 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1)c1ccccc1 ZINC001222596174 1095682723 /nfs/dbraw/zinc/68/27/23/1095682723.db2.gz RLVCTDZPCWOPEA-FXAWDEMLSA-N 2 1 306.453 3.479 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C)cc1O ZINC001222602279 1095688273 /nfs/dbraw/zinc/68/82/73/1095688273.db2.gz MNORONSMXOCTLG-IBGZPJMESA-N 2 1 322.452 3.198 20 0 DGADMP c1c2ccccc2[nH]c1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602031 1095688347 /nfs/dbraw/zinc/68/83/47/1095688347.db2.gz GLXPVDUZADAHIR-IBGZPJMESA-N 2 1 317.436 3.357 20 0 DGADMP c1c2ccccc2[nH]c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602031 1095688350 /nfs/dbraw/zinc/68/83/50/1095688350.db2.gz GLXPVDUZADAHIR-IBGZPJMESA-N 2 1 317.436 3.357 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900824 1095695068 /nfs/dbraw/zinc/69/50/68/1095695068.db2.gz SWTLHNXZCIQKFT-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC001116900824 1095695071 /nfs/dbraw/zinc/69/50/71/1095695071.db2.gz SWTLHNXZCIQKFT-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(OC(F)(F)F)c1 ZINC001222620224 1095695635 /nfs/dbraw/zinc/69/56/35/1095695635.db2.gz HLSZDWRSSQGRRW-DZGCQCFKSA-N 2 1 314.351 3.077 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001222620486 1095698460 /nfs/dbraw/zinc/69/84/60/1095698460.db2.gz VCIKGRWSTHBMPL-AZUAARDMSA-N 2 1 309.457 3.090 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC001222629443 1095700386 /nfs/dbraw/zinc/70/03/86/1095700386.db2.gz HEGRFQXHSYMJIE-BGYRXZFFSA-N 2 1 323.484 3.337 20 0 DGADMP c1[nH+]c(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c2ccccn12 ZINC001144623398 1095739252 /nfs/dbraw/zinc/73/92/52/1095739252.db2.gz UUBXUKQFMKHOQY-QGZVFWFLSA-N 2 1 312.461 3.175 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC001117748721 1095831706 /nfs/dbraw/zinc/83/17/06/1095831706.db2.gz JPMLVSKXDJCIDN-QAPCUYQASA-N 2 1 318.461 3.246 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)c1F)CC2 ZINC001138011894 1095833091 /nfs/dbraw/zinc/83/30/91/1095833091.db2.gz MFPJONIYQSBTAI-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138015606 1095839334 /nfs/dbraw/zinc/83/93/34/1095839334.db2.gz LZXIRBTVFMDBMN-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138015606 1095839347 /nfs/dbraw/zinc/83/93/47/1095839347.db2.gz LZXIRBTVFMDBMN-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138015606 1095839370 /nfs/dbraw/zinc/83/93/70/1095839370.db2.gz LZXIRBTVFMDBMN-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138015606 1095839390 /nfs/dbraw/zinc/83/93/90/1095839390.db2.gz LZXIRBTVFMDBMN-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138015606 1095839414 /nfs/dbraw/zinc/83/94/14/1095839414.db2.gz LZXIRBTVFMDBMN-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138015606 1095839437 /nfs/dbraw/zinc/83/94/37/1095839437.db2.gz LZXIRBTVFMDBMN-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138015606 1095839465 /nfs/dbraw/zinc/83/94/65/1095839465.db2.gz LZXIRBTVFMDBMN-GHTZIAJQSA-N 2 1 324.468 3.301 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC(C)=O)c2)CC1 ZINC001138046240 1095855274 /nfs/dbraw/zinc/85/52/74/1095855274.db2.gz DHFBEMQSGIBURU-UHFFFAOYSA-N 2 1 318.461 3.308 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001118103324 1095936977 /nfs/dbraw/zinc/93/69/77/1095936977.db2.gz SDEVOGQVPBPLTE-QWHCGFSZSA-N 2 1 316.276 3.259 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001340527313 1095970839 /nfs/dbraw/zinc/97/08/39/1095970839.db2.gz LGDFFZPHMKNSCC-PVAVHDDUSA-N 2 1 318.461 3.199 20 0 DGADMP CC[C@@H]1CC([NH+]2CC3(C2)CC(F)(F)CS3)C[C@@H](CC)[NH2+]1 ZINC001246852842 1096047325 /nfs/dbraw/zinc/04/73/25/1096047325.db2.gz KULDNHVSJIFSGP-VXGBXAGGSA-N 2 1 304.450 3.122 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001146594563 1096067855 /nfs/dbraw/zinc/06/78/55/1096067855.db2.gz UONITSJZGJHLQA-JKSUJKDBSA-N 2 1 313.530 3.026 20 0 DGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccnc(F)c2)n1 ZINC001118815357 1096084643 /nfs/dbraw/zinc/08/46/43/1096084643.db2.gz HDLVSRDKKODLDC-HNNXBMFYSA-N 2 1 300.381 3.001 20 0 DGADMP Cc1cccc(NC[C@@H]2CCCN2Cc2ccnc(F)c2)n1 ZINC001118815357 1096084652 /nfs/dbraw/zinc/08/46/52/1096084652.db2.gz HDLVSRDKKODLDC-HNNXBMFYSA-N 2 1 300.381 3.001 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001171289314 1096123132 /nfs/dbraw/zinc/12/31/32/1096123132.db2.gz RFMRSDUZSVXJJB-ZIAGYGMSSA-N 2 1 322.880 3.280 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001119241859 1096142045 /nfs/dbraw/zinc/14/20/45/1096142045.db2.gz NPVGWIXMGDTNIK-INIZCTEOSA-N 2 1 322.456 3.367 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1cccc(F)c1 ZINC001119270586 1096150579 /nfs/dbraw/zinc/15/05/79/1096150579.db2.gz MTIHMRYTHRSDHZ-SFHVURJKSA-N 2 1 308.441 3.057 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCn1cc[nH+]c1C)CC2 ZINC001171294445 1096164585 /nfs/dbraw/zinc/16/45/85/1096164585.db2.gz SYPPCQBQDBQALO-ZDUSSCGKSA-N 2 1 319.836 3.001 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC001119541735 1096224466 /nfs/dbraw/zinc/22/44/66/1096224466.db2.gz RYNPXNNNAHRIBF-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001119769180 1096257993 /nfs/dbraw/zinc/25/79/93/1096257993.db2.gz RSVWMXFRQWGURI-QDMKHBRRSA-N 2 1 311.420 3.449 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001119769180 1096257997 /nfs/dbraw/zinc/25/79/97/1096257997.db2.gz RSVWMXFRQWGURI-QDMKHBRRSA-N 2 1 311.420 3.449 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC[C@H]1CCCC[NH+]1C ZINC001224701404 1096267128 /nfs/dbraw/zinc/26/71/28/1096267128.db2.gz FPMYDPYKALPXAE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@H]1CCCC[N@@H+]1C ZINC001224701404 1096267134 /nfs/dbraw/zinc/26/71/34/1096267134.db2.gz FPMYDPYKALPXAE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224701404 1096267141 /nfs/dbraw/zinc/26/71/41/1096267141.db2.gz FPMYDPYKALPXAE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@H]1[C@@H]2CC[C@H]1C[NH+](Cc1ccccc1)C2 ZINC001224816987 1096290523 /nfs/dbraw/zinc/29/05/23/1096290523.db2.gz FAENUAQXPQRLMA-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001224816987 1096290531 /nfs/dbraw/zinc/29/05/31/1096290531.db2.gz FAENUAQXPQRLMA-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001224816987 1096290539 /nfs/dbraw/zinc/29/05/39/1096290539.db2.gz FAENUAQXPQRLMA-ZGXWSNOMSA-N 2 1 314.473 3.008 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001224828196 1096294992 /nfs/dbraw/zinc/29/49/92/1096294992.db2.gz CBMOCOLVKJBCDW-IRXDYDNUSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224828196 1096294999 /nfs/dbraw/zinc/29/49/99/1096294999.db2.gz CBMOCOLVKJBCDW-IRXDYDNUSA-N 2 1 308.853 3.025 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224828196 1096295005 /nfs/dbraw/zinc/29/50/05/1096295005.db2.gz CBMOCOLVKJBCDW-IRXDYDNUSA-N 2 1 308.853 3.025 20 0 DGADMP CC[N@H+]1CC[C@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224830414 1096296806 /nfs/dbraw/zinc/29/68/06/1096296806.db2.gz NYEDARJFQMAYEG-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@H](OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224830414 1096296811 /nfs/dbraw/zinc/29/68/11/1096296811.db2.gz NYEDARJFQMAYEG-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CC[C@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830414 1096296817 /nfs/dbraw/zinc/29/68/17/1096296817.db2.gz NYEDARJFQMAYEG-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001227218511 1096897843 /nfs/dbraw/zinc/89/78/43/1096897843.db2.gz WVLGDECFILAAPV-IAGOWNOFSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171628891 1096930348 /nfs/dbraw/zinc/93/03/48/1096930348.db2.gz LPGFVMJMGQKQHK-NVXWUHKLSA-N 2 1 309.542 3.346 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171628891 1096930353 /nfs/dbraw/zinc/93/03/53/1096930353.db2.gz LPGFVMJMGQKQHK-NVXWUHKLSA-N 3 1 309.542 3.346 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171628891 1096930356 /nfs/dbraw/zinc/93/03/56/1096930356.db2.gz LPGFVMJMGQKQHK-NVXWUHKLSA-N 3 1 309.542 3.346 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H](CCO)c2ccccc2)CC1(C)C ZINC001171620157 1096935565 /nfs/dbraw/zinc/93/55/65/1096935565.db2.gz VQAMEODPWKWWKM-QGZVFWFLSA-N 2 1 304.478 3.351 20 0 DGADMP COc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1O ZINC001171618800 1096935632 /nfs/dbraw/zinc/93/56/32/1096935632.db2.gz CPLDFYGXTXWHIE-UHFFFAOYSA-N 2 1 306.450 3.142 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H](CCO)c2ccc(F)cc2)CC1(C)C ZINC001171621743 1096935877 /nfs/dbraw/zinc/93/58/77/1096935877.db2.gz PITYPXQCXYMHTF-QGZVFWFLSA-N 2 1 322.468 3.490 20 0 DGADMP COCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C1CCN(C)CC1 ZINC001171675846 1096945057 /nfs/dbraw/zinc/94/50/57/1096945057.db2.gz UGFSYXXTFJOUEH-GOSISDBHSA-N 2 1 318.505 3.359 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171726404 1096955282 /nfs/dbraw/zinc/95/52/82/1096955282.db2.gz FQEHKCVDDPBGCN-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171726404 1096955291 /nfs/dbraw/zinc/95/52/91/1096955291.db2.gz FQEHKCVDDPBGCN-UYAOXDASSA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC001171759291 1096964231 /nfs/dbraw/zinc/96/42/31/1096964231.db2.gz IKIADHFLRCEJFR-NEWSRXKRSA-N 2 1 324.472 3.186 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171801230 1096982017 /nfs/dbraw/zinc/98/20/17/1096982017.db2.gz JXVFMVHLNIUKSO-KRWDZBQOSA-N 2 1 304.453 3.345 20 0 DGADMP CCCCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227792990 1096990630 /nfs/dbraw/zinc/99/06/30/1096990630.db2.gz WVZOZUACZCGSAO-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965096 1097006268 /nfs/dbraw/zinc/00/62/68/1097006268.db2.gz OBLZEFRGMWCBTI-ROUUACIJSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)N(CC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970060 1097020242 /nfs/dbraw/zinc/02/02/42/1097020242.db2.gz XVEBYXFXKFCRBP-SFHVURJKSA-N 2 1 303.494 3.099 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970878 1097020255 /nfs/dbraw/zinc/02/02/55/1097020255.db2.gz FWNUDZSNMLILDJ-OKZBNKHCSA-N 2 1 302.462 3.197 20 0 DGADMP CC1(C)C[C@H]([NH2+]CC2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001171972065 1097022148 /nfs/dbraw/zinc/02/21/48/1097022148.db2.gz MWCQATQDFZBRCN-QGZVFWFLSA-N 2 1 304.503 3.382 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975869 1097022888 /nfs/dbraw/zinc/02/28/88/1097022888.db2.gz GXLNCPDVMQQFGN-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975869 1097022893 /nfs/dbraw/zinc/02/28/93/1097022893.db2.gz GXLNCPDVMQQFGN-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975869 1097022898 /nfs/dbraw/zinc/02/28/98/1097022898.db2.gz GXLNCPDVMQQFGN-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975869 1097022902 /nfs/dbraw/zinc/02/29/02/1097022902.db2.gz GXLNCPDVMQQFGN-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975942 1097023815 /nfs/dbraw/zinc/02/38/15/1097023815.db2.gz GXLNCPDVMQQFGN-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975942 1097023820 /nfs/dbraw/zinc/02/38/20/1097023820.db2.gz GXLNCPDVMQQFGN-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975942 1097023824 /nfs/dbraw/zinc/02/38/24/1097023824.db2.gz GXLNCPDVMQQFGN-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975942 1097023829 /nfs/dbraw/zinc/02/38/29/1097023829.db2.gz GXLNCPDVMQQFGN-RTBURBONSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977400 1097025680 /nfs/dbraw/zinc/02/56/80/1097025680.db2.gz RFPYHZKRYGDHNI-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977400 1097025683 /nfs/dbraw/zinc/02/56/83/1097025683.db2.gz RFPYHZKRYGDHNI-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977400 1097025688 /nfs/dbraw/zinc/02/56/88/1097025688.db2.gz RFPYHZKRYGDHNI-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977400 1097025693 /nfs/dbraw/zinc/02/56/93/1097025693.db2.gz RFPYHZKRYGDHNI-QRQLOZEOSA-N 2 1 316.489 3.275 20 0 DGADMP COC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979779 1097027716 /nfs/dbraw/zinc/02/77/16/1097027716.db2.gz QWCAZYPJMUDAOC-XBMUEBEBSA-N 2 1 316.489 3.444 20 0 DGADMP COC[C@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172087252 1097040046 /nfs/dbraw/zinc/04/00/46/1097040046.db2.gz LEJNRYBUJFZVKW-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172087252 1097040060 /nfs/dbraw/zinc/04/00/60/1097040060.db2.gz LEJNRYBUJFZVKW-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP COC[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172087252 1097040067 /nfs/dbraw/zinc/04/00/67/1097040067.db2.gz LEJNRYBUJFZVKW-WCIQWLHISA-N 2 1 314.473 3.293 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001172100782 1097042647 /nfs/dbraw/zinc/04/26/47/1097042647.db2.gz SZZVZDVMOFNZGK-ZSOGYDGISA-N 2 1 301.459 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001172100782 1097042652 /nfs/dbraw/zinc/04/26/52/1097042652.db2.gz SZZVZDVMOFNZGK-ZSOGYDGISA-N 2 1 301.459 3.401 20 0 DGADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062434 1097042697 /nfs/dbraw/zinc/04/26/97/1097042697.db2.gz OALVKSUFVPGTBT-AFYVEPGGSA-N 2 1 315.505 3.112 20 0 DGADMP C[NH+](C)CCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064944 1097044302 /nfs/dbraw/zinc/04/43/02/1097044302.db2.gz JFTLRGSNWVNQCG-ACDBMABISA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@]1(O)C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065752 1097044832 /nfs/dbraw/zinc/04/48/32/1097044832.db2.gz QFEIKTRZMHWRRR-URWLHXRESA-N 2 1 314.473 3.075 20 0 DGADMP [NH3+]CCc1cncn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069654 1097046964 /nfs/dbraw/zinc/04/69/64/1097046964.db2.gz WQIODCLQOJSPPB-RUYXUALKSA-N 2 1 324.472 3.143 20 0 DGADMP COc1ccc(CCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102359 1097053030 /nfs/dbraw/zinc/05/30/30/1097053030.db2.gz MHPRBSIPOTXWAC-BCDXTJNWSA-N 2 1 302.462 3.233 20 0 DGADMP CSc1ccc(OCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172104228 1097053568 /nfs/dbraw/zinc/05/35/68/1097053568.db2.gz AUTGACOYCZSQPG-MUJYYYPQSA-N 2 1 320.502 3.392 20 0 DGADMP Cc1ccccc1OC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107020 1097054237 /nfs/dbraw/zinc/05/42/37/1097054237.db2.gz SGZWTAAECJDIJT-ZJPYXAASSA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1OC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107020 1097054241 /nfs/dbraw/zinc/05/42/41/1097054241.db2.gz SGZWTAAECJDIJT-ZJPYXAASSA-N 2 1 302.462 3.367 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCOCc1ccccc1)C2 ZINC001172107357 1097054354 /nfs/dbraw/zinc/05/43/54/1097054354.db2.gz VZJPTNAGJNHKSB-REPLKXPHSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172107707 1097054438 /nfs/dbraw/zinc/05/44/38/1097054438.db2.gz BAKGJXWNAIQHND-MUJYYYPQSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172107707 1097054443 /nfs/dbraw/zinc/05/44/43/1097054443.db2.gz BAKGJXWNAIQHND-MUJYYYPQSA-N 2 1 300.446 3.289 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105817 1097054613 /nfs/dbraw/zinc/05/46/13/1097054613.db2.gz KTEWAANSUNXPCX-ZJPYXAASSA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105817 1097054618 /nfs/dbraw/zinc/05/46/18/1097054618.db2.gz KTEWAANSUNXPCX-ZJPYXAASSA-N 2 1 322.880 3.368 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172105066 1097055094 /nfs/dbraw/zinc/05/50/94/1097055094.db2.gz FYAAPXNOIPJTTI-XLAORIBOSA-N 2 1 314.473 3.157 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172105066 1097055100 /nfs/dbraw/zinc/05/51/00/1097055100.db2.gz FYAAPXNOIPJTTI-XLAORIBOSA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172108846 1097055107 /nfs/dbraw/zinc/05/51/07/1097055107.db2.gz GWGORAJUXBICLX-AKHDSKFASA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172108846 1097055110 /nfs/dbraw/zinc/05/51/10/1097055110.db2.gz GWGORAJUXBICLX-AKHDSKFASA-N 2 1 314.473 3.157 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172112775 1097055542 /nfs/dbraw/zinc/05/55/42/1097055542.db2.gz CKQSQRYCDKBPBJ-ACDBMABISA-N 2 1 319.537 3.246 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110555 1097056790 /nfs/dbraw/zinc/05/67/90/1097056790.db2.gz OKBRQSHCPQCBSZ-ZJOBFFGXSA-N 2 1 322.399 3.393 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001172110555 1097056793 /nfs/dbraw/zinc/05/67/93/1097056793.db2.gz OKBRQSHCPQCBSZ-ZJOBFFGXSA-N 2 1 322.399 3.393 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CC3CCC3)CCOCC1)C2 ZINC001172112669 1097058981 /nfs/dbraw/zinc/05/89/81/1097058981.db2.gz YZGBYPLRKNBIAR-BCDXTJNWSA-N 2 1 306.494 3.331 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CC3CCC3)CCOCC1)C2 ZINC001172112669 1097058984 /nfs/dbraw/zinc/05/89/84/1097058984.db2.gz YZGBYPLRKNBIAR-BCDXTJNWSA-N 2 1 306.494 3.331 20 0 DGADMP COc1ncccc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112503 1097059299 /nfs/dbraw/zinc/05/92/99/1097059299.db2.gz WNNOYLOWMQEBHH-KYHPRHEASA-N 2 1 315.461 3.146 20 0 DGADMP COc1cccc(OC)c1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113422 1097059867 /nfs/dbraw/zinc/05/98/67/1097059867.db2.gz CWRFZYOKVFHCER-JONQDZQNSA-N 2 1 318.461 3.370 20 0 DGADMP COc1cccc(OC)c1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113422 1097059874 /nfs/dbraw/zinc/05/98/74/1097059874.db2.gz CWRFZYOKVFHCER-JONQDZQNSA-N 2 1 318.461 3.370 20 0 DGADMP COc1ncccc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112504 1097059977 /nfs/dbraw/zinc/05/99/77/1097059977.db2.gz WNNOYLOWMQEBHH-XLMAVXFVSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(OC3CCC3)ccn1)C2 ZINC001172114250 1097060585 /nfs/dbraw/zinc/06/05/85/1097060585.db2.gz MPPHYXJZAQURRS-ACHSLPGTSA-N 2 1 315.461 3.118 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(OC3CCC3)ccn1)C2 ZINC001172114250 1097060592 /nfs/dbraw/zinc/06/05/92/1097060592.db2.gz MPPHYXJZAQURRS-ACHSLPGTSA-N 2 1 315.461 3.118 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3cc(F)ccc31)C2 ZINC001172114769 1097061089 /nfs/dbraw/zinc/06/10/89/1097061089.db2.gz PZPCHJKUTWCHRL-JYYAWHABSA-N 2 1 304.409 3.254 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114640 1097062120 /nfs/dbraw/zinc/06/21/20/1097062120.db2.gz RPGWWUXZRUIEOQ-QKPAOTATSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114640 1097062125 /nfs/dbraw/zinc/06/21/25/1097062125.db2.gz RPGWWUXZRUIEOQ-QKPAOTATSA-N 2 1 324.465 3.028 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1)C2 ZINC001172114640 1097062130 /nfs/dbraw/zinc/06/21/30/1097062130.db2.gz RPGWWUXZRUIEOQ-QKPAOTATSA-N 2 1 324.465 3.028 20 0 DGADMP COc1cncc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172113545 1097062160 /nfs/dbraw/zinc/06/21/60/1097062160.db2.gz KBTZFXLBRIDUEB-ZMMAXQRCSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cncc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172113545 1097062165 /nfs/dbraw/zinc/06/21/65/1097062165.db2.gz KBTZFXLBRIDUEB-ZMMAXQRCSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccn(Cc3ccccc3)n1)C2 ZINC001172116279 1097062326 /nfs/dbraw/zinc/06/23/26/1097062326.db2.gz GPNAAKNDFJZPBX-ACDBMABISA-N 2 1 324.472 3.036 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121509 1097064413 /nfs/dbraw/zinc/06/44/13/1097064413.db2.gz KDRXMRRYMNPTLR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121509 1097064421 /nfs/dbraw/zinc/06/44/21/1097064421.db2.gz KDRXMRRYMNPTLR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121509 1097064424 /nfs/dbraw/zinc/06/44/24/1097064424.db2.gz KDRXMRRYMNPTLR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121509 1097064432 /nfs/dbraw/zinc/06/44/32/1097064432.db2.gz KDRXMRRYMNPTLR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226278 1097080436 /nfs/dbraw/zinc/08/04/36/1097080436.db2.gz SYZPUJURVSZYMV-MNIJEXPFSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226278 1097080441 /nfs/dbraw/zinc/08/04/41/1097080441.db2.gz SYZPUJURVSZYMV-MNIJEXPFSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001172233026 1097082580 /nfs/dbraw/zinc/08/25/80/1097082580.db2.gz OXEVOTMPFMWTFI-NTHMGXEOSA-N 2 1 312.457 3.115 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001172233026 1097082586 /nfs/dbraw/zinc/08/25/86/1097082586.db2.gz OXEVOTMPFMWTFI-NTHMGXEOSA-N 2 1 312.457 3.115 20 0 DGADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232732 1097082876 /nfs/dbraw/zinc/08/28/76/1097082876.db2.gz KLXNVSZQJHMPAZ-YQQQUEKLSA-N 2 1 306.494 3.425 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2ccccc2F)CC1 ZINC001172247891 1097090879 /nfs/dbraw/zinc/09/08/79/1097090879.db2.gz ORGUEHXFSQRSKJ-UHFFFAOYSA-N 2 1 322.468 3.237 20 0 DGADMP COCCC[NH+]1CCC([NH+]2CCC(c3ccccc3)CC2)CC1 ZINC001172251448 1097092056 /nfs/dbraw/zinc/09/20/56/1097092056.db2.gz PYCOLKRTPNTJSA-UHFFFAOYSA-N 2 1 316.489 3.367 20 0 DGADMP CCC[N@H+](Cc1ccccc1)C1CC[NH+](CCCOC)CC1 ZINC001172255555 1097093684 /nfs/dbraw/zinc/09/36/84/1097093684.db2.gz VSTQQPXMWUKBOQ-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCOC)CC1 ZINC001172255555 1097093691 /nfs/dbraw/zinc/09/36/91/1097093691.db2.gz VSTQQPXMWUKBOQ-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP COc1nccc(Cl)c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277295360 1097110915 /nfs/dbraw/zinc/11/09/15/1097110915.db2.gz KCGYCTBFLLWNFT-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1nccc(Cl)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277295360 1097110920 /nfs/dbraw/zinc/11/09/20/1097110920.db2.gz KCGYCTBFLLWNFT-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC001172381965 1097111645 /nfs/dbraw/zinc/11/16/45/1097111645.db2.gz IYFQSKOMQARNOA-QWQRMKEZSA-N 2 1 316.493 3.477 20 0 DGADMP C[NH+](C)Cc1c(O[C@@H]2CCc3[nH+]ccn3C2)ccc2ccccc21 ZINC001228442966 1097121917 /nfs/dbraw/zinc/12/19/17/1097121917.db2.gz ZKKNOZBBVFDCNB-MRXNPFEDSA-N 2 1 321.424 3.492 20 0 DGADMP CCOCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172420164 1097135151 /nfs/dbraw/zinc/13/51/51/1097135151.db2.gz KSHOKEYNWLSCLF-RLLQIKCJSA-N 2 1 316.489 3.174 20 0 DGADMP Cc1cccc(N([C@H](C)CCOC(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172455406 1097159995 /nfs/dbraw/zinc/15/99/95/1097159995.db2.gz TZJBXPIRUDZISL-MRXNPFEDSA-N 2 1 305.466 3.152 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H](NCc3cnc(-c4cccs4)s3)[C@@H]2C1 ZINC001204089272 1097185642 /nfs/dbraw/zinc/18/56/42/1097185642.db2.gz LSTOSTDXDYZABR-YUTCNCBUSA-N 2 1 319.499 3.301 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@@H]2C1 ZINC001204089272 1097185645 /nfs/dbraw/zinc/18/56/45/1097185645.db2.gz LSTOSTDXDYZABR-YUTCNCBUSA-N 2 1 319.499 3.301 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@@H]2C1 ZINC001204089272 1097185647 /nfs/dbraw/zinc/18/56/47/1097185647.db2.gz LSTOSTDXDYZABR-YUTCNCBUSA-N 2 1 319.499 3.301 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc3n2CCC3)c1 ZINC001277330911 1097194753 /nfs/dbraw/zinc/19/47/53/1097194753.db2.gz YUJRKESAMIUNLR-JLYLLQBASA-N 2 1 324.472 3.048 20 0 DGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc3n2CCC3)c1 ZINC001277330911 1097194755 /nfs/dbraw/zinc/19/47/55/1097194755.db2.gz YUJRKESAMIUNLR-JLYLLQBASA-N 2 1 324.472 3.048 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001172764304 1097233842 /nfs/dbraw/zinc/23/38/42/1097233842.db2.gz AJHAQQYOFDAOJU-XDNAFOTISA-N 2 1 324.509 3.066 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172773328 1097237347 /nfs/dbraw/zinc/23/73/47/1097237347.db2.gz NDKPKPQWKBIAKZ-BZSNNMDCSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172773328 1097237351 /nfs/dbraw/zinc/23/73/51/1097237351.db2.gz NDKPKPQWKBIAKZ-BZSNNMDCSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172773328 1097237354 /nfs/dbraw/zinc/23/73/54/1097237354.db2.gz NDKPKPQWKBIAKZ-BZSNNMDCSA-N 2 1 324.509 3.446 20 0 DGADMP Cc1ccc2c(c1)C[C@H](N1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001172838337 1097256758 /nfs/dbraw/zinc/25/67/58/1097256758.db2.gz NZEOOSXLEYBSBK-NHCUHLMSSA-N 2 1 306.453 3.238 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@H]2C1 ZINC001172872990 1097271067 /nfs/dbraw/zinc/27/10/67/1097271067.db2.gz QORFAHUTOFPVHM-BPLDGKMQSA-N 2 1 310.844 3.294 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172942096 1097287664 /nfs/dbraw/zinc/28/76/64/1097287664.db2.gz IFZRZSLASIZRAX-SLFFLAALSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172942096 1097287667 /nfs/dbraw/zinc/28/76/67/1097287667.db2.gz IFZRZSLASIZRAX-SLFFLAALSA-N 2 1 316.489 3.398 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172942096 1097287674 /nfs/dbraw/zinc/28/76/74/1097287674.db2.gz IFZRZSLASIZRAX-SLFFLAALSA-N 2 1 316.489 3.398 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173051023 1097313579 /nfs/dbraw/zinc/31/35/79/1097313579.db2.gz HNEQIJXNGSHXKX-UHFFFAOYSA-N 2 1 306.494 3.284 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](c3nnc(C)o3)C2)CC1 ZINC001173113645 1097332771 /nfs/dbraw/zinc/33/27/71/1097332771.db2.gz ZAPQQRXJBNHWSE-GTPINHCMSA-N 2 1 320.481 3.210 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCc2ncsc2C1 ZINC001173143688 1097346140 /nfs/dbraw/zinc/34/61/40/1097346140.db2.gz OIIWYNHWIKFHQO-ARFHVFGLSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2ncsc2C1 ZINC001173143688 1097346146 /nfs/dbraw/zinc/34/61/46/1097346146.db2.gz OIIWYNHWIKFHQO-ARFHVFGLSA-N 2 1 319.518 3.339 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCc2ncsc2C1 ZINC001173143688 1097346152 /nfs/dbraw/zinc/34/61/52/1097346152.db2.gz OIIWYNHWIKFHQO-ARFHVFGLSA-N 2 1 319.518 3.339 20 0 DGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001173255663 1097386519 /nfs/dbraw/zinc/38/65/19/1097386519.db2.gz MDCCDXZKJVDJTG-GBESFXJTSA-N 2 1 309.542 3.302 20 0 DGADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173349192 1097424527 /nfs/dbraw/zinc/42/45/27/1097424527.db2.gz OUQYWZPLSDFBSC-HOTGVXAUSA-N 2 1 310.482 3.140 20 0 DGADMP CC[N@H+]1CC[C@@H](n2c3ccc(Cl)cc3c3c2CC[NH2+]C3)C1 ZINC001173364364 1097432139 /nfs/dbraw/zinc/43/21/39/1097432139.db2.gz VOPFJJAKTAHWDP-CYBMUJFWSA-N 2 1 303.837 3.207 20 0 DGADMP Fc1cc2c(cc1F)CC([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001173475744 1097444570 /nfs/dbraw/zinc/44/45/70/1097444570.db2.gz JPSCNNCHIGZWCB-INIZCTEOSA-N 2 1 320.427 3.286 20 0 DGADMP Fc1cc2c(cc1F)CC([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001173475744 1097444573 /nfs/dbraw/zinc/44/45/73/1097444573.db2.gz JPSCNNCHIGZWCB-INIZCTEOSA-N 2 1 320.427 3.286 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334423 1097478322 /nfs/dbraw/zinc/47/83/22/1097478322.db2.gz WFEYLNADHLDJIY-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633866 1097480751 /nfs/dbraw/zinc/48/07/51/1097480751.db2.gz MYZPLNOGZGYTMU-XLAORIBOSA-N 2 1 322.493 3.090 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173648765 1097492009 /nfs/dbraw/zinc/49/20/09/1097492009.db2.gz JPZCQCBEZLFGFK-QZTJIDSGSA-N 2 1 324.509 3.161 20 0 DGADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001231418529 1097744833 /nfs/dbraw/zinc/74/48/33/1097744833.db2.gz WHWDXTHCOWMAQH-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP Cc1cc(C)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1C ZINC001231483597 1097758781 /nfs/dbraw/zinc/75/87/81/1097758781.db2.gz OEDZWMUHMKIGFY-UHFFFAOYSA-N 2 1 315.461 3.242 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3cccnc23)CC1 ZINC001231488027 1097761370 /nfs/dbraw/zinc/76/13/70/1097761370.db2.gz FHLBOPXJGASZHP-UHFFFAOYSA-N 2 1 321.428 3.005 20 0 DGADMP CCc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)nc1 ZINC001231639893 1097798938 /nfs/dbraw/zinc/79/89/38/1097798938.db2.gz AYNSHDUOYRAQBF-UHFFFAOYSA-N 2 1 310.445 3.086 20 0 DGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001174705918 1097814298 /nfs/dbraw/zinc/81/42/98/1097814298.db2.gz WHKSIMFRVOIICL-IKSUFZCESA-N 2 1 323.525 3.092 20 0 DGADMP COCc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001231693963 1097818259 /nfs/dbraw/zinc/81/82/59/1097818259.db2.gz ZFWMJMWWFQJUGE-JKSUJKDBSA-N 2 1 306.450 3.265 20 0 DGADMP COCc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001231693963 1097818268 /nfs/dbraw/zinc/81/82/68/1097818268.db2.gz ZFWMJMWWFQJUGE-JKSUJKDBSA-N 2 1 306.450 3.265 20 0 DGADMP COCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001231693963 1097818277 /nfs/dbraw/zinc/81/82/77/1097818277.db2.gz ZFWMJMWWFQJUGE-JKSUJKDBSA-N 2 1 306.450 3.265 20 0 DGADMP COCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001231693963 1097818288 /nfs/dbraw/zinc/81/82/88/1097818288.db2.gz ZFWMJMWWFQJUGE-JKSUJKDBSA-N 2 1 306.450 3.265 20 0 DGADMP CSc1ccccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001231784471 1097841337 /nfs/dbraw/zinc/84/13/37/1097841337.db2.gz JMNOJAYFTZTNTF-UHFFFAOYSA-N 2 1 319.474 3.039 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3c[nH]nc32)CC1 ZINC001231971366 1097903487 /nfs/dbraw/zinc/90/34/87/1097903487.db2.gz NAGAATVGTMZYIB-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001231973523 1097905044 /nfs/dbraw/zinc/90/50/44/1097905044.db2.gz WMFYGCXUDIYXEB-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001231973523 1097905050 /nfs/dbraw/zinc/90/50/50/1097905050.db2.gz WMFYGCXUDIYXEB-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)n1 ZINC001232000248 1097911681 /nfs/dbraw/zinc/91/16/81/1097911681.db2.gz HADBUTQWNFUERD-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)n1 ZINC001232000248 1097911685 /nfs/dbraw/zinc/91/16/85/1097911685.db2.gz HADBUTQWNFUERD-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(C)n1 ZINC001232000248 1097911689 /nfs/dbraw/zinc/91/16/89/1097911689.db2.gz HADBUTQWNFUERD-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(C)n1 ZINC001232000248 1097911695 /nfs/dbraw/zinc/91/16/95/1097911695.db2.gz HADBUTQWNFUERD-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011555 1097916202 /nfs/dbraw/zinc/91/62/02/1097916202.db2.gz MAIXFKXJBSPSFC-CYBMUJFWSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011555 1097916205 /nfs/dbraw/zinc/91/62/05/1097916205.db2.gz MAIXFKXJBSPSFC-CYBMUJFWSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011556 1097916266 /nfs/dbraw/zinc/91/62/66/1097916266.db2.gz MAIXFKXJBSPSFC-ZDUSSCGKSA-N 2 1 301.287 3.287 20 0 DGADMP FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011556 1097916271 /nfs/dbraw/zinc/91/62/71/1097916271.db2.gz MAIXFKXJBSPSFC-ZDUSSCGKSA-N 2 1 301.287 3.287 20 0 DGADMP Cc1ccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232011568 1097916945 /nfs/dbraw/zinc/91/69/45/1097916945.db2.gz MSNCLDLJNKHLBW-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014088 1097917829 /nfs/dbraw/zinc/91/78/29/1097917829.db2.gz JTFIDTMQVRJRBX-MRXNPFEDSA-N 2 1 323.396 3.225 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001232145597 1097949813 /nfs/dbraw/zinc/94/98/13/1097949813.db2.gz CDFDDHZNPLGSGO-SFHVURJKSA-N 2 1 314.408 3.014 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001232145597 1097949819 /nfs/dbraw/zinc/94/98/19/1097949819.db2.gz CDFDDHZNPLGSGO-SFHVURJKSA-N 2 1 314.408 3.014 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001232146737 1097950401 /nfs/dbraw/zinc/95/04/01/1097950401.db2.gz FYZRMIHZXZJJRA-SFHVURJKSA-N 2 1 313.420 3.272 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(C3CC[NH+](C)CC3)C2)C1 ZINC001277624999 1097957574 /nfs/dbraw/zinc/95/75/74/1097957574.db2.gz NJQRNNUXINHAKB-SFHVURJKSA-N 2 1 321.553 3.305 20 0 DGADMP C[NH+]1CCC(N2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001277627708 1097962723 /nfs/dbraw/zinc/96/27/23/1097962723.db2.gz ZLSNZBIZOMVFPG-FQEVSTJZSA-N 2 1 319.537 3.201 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccn3Cc3ccccc3)C2)CC1 ZINC001232239426 1097979088 /nfs/dbraw/zinc/97/90/88/1097979088.db2.gz XTOZZQQKFGCQSY-UHFFFAOYSA-N 2 1 323.484 3.454 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(-c4cc[nH]n4)c3)C2)C1 ZINC001277635824 1097980567 /nfs/dbraw/zinc/98/05/67/1097980567.db2.gz CBQRXWDSBDHVMU-HXUWFJFHSA-N 2 1 324.472 3.385 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(F)(F)F)o3)C2)CC1 ZINC001232445096 1098039656 /nfs/dbraw/zinc/03/96/56/1098039656.db2.gz LZPOCLJZCVKZRI-UHFFFAOYSA-N 2 1 302.340 3.216 20 0 DGADMP CCOc1ccnc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001232583855 1098083285 /nfs/dbraw/zinc/08/32/85/1098083285.db2.gz RJZXQHZBTPHKHX-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP c1c[nH]c(C[N@H+]2CCC[C@]3(CCCN(c4cc[nH+]cc4)C3)C2)c1 ZINC001277693796 1098105909 /nfs/dbraw/zinc/10/59/09/1098105909.db2.gz MPZVAGHWBWBDAP-IBGZPJMESA-N 2 1 310.445 3.292 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832356 1098176584 /nfs/dbraw/zinc/17/65/84/1098176584.db2.gz YNWKKEROKJLJIN-LPHOPBHVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832356 1098176586 /nfs/dbraw/zinc/17/65/86/1098176586.db2.gz YNWKKEROKJLJIN-LPHOPBHVSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3ncoc3c2)CC1 ZINC001232940589 1098177378 /nfs/dbraw/zinc/17/73/78/1098177378.db2.gz CXIMCNDBFJFRGB-UHFFFAOYSA-N 2 1 301.434 3.380 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnn2ccccc12 ZINC001233239891 1098261978 /nfs/dbraw/zinc/26/19/78/1098261978.db2.gz WQHDHNZFWBQRLF-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnn2ccccc12 ZINC001233239891 1098261981 /nfs/dbraw/zinc/26/19/81/1098261981.db2.gz WQHDHNZFWBQRLF-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnn2ccccc12 ZINC001233239891 1098261986 /nfs/dbraw/zinc/26/19/86/1098261986.db2.gz WQHDHNZFWBQRLF-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnn2ccccc12 ZINC001233239891 1098261990 /nfs/dbraw/zinc/26/19/90/1098261990.db2.gz WQHDHNZFWBQRLF-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP COc1c(O)cccc1C[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001233258301 1098265138 /nfs/dbraw/zinc/26/51/38/1098265138.db2.gz YMJWWOLAFITABA-UHFFFAOYSA-N 2 1 318.461 3.240 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3c(F)ccc(O)c3F)CC2)CC1 ZINC001233395897 1098314112 /nfs/dbraw/zinc/31/41/12/1098314112.db2.gz XXJDOEWRYOKJAX-UHFFFAOYSA-N 2 1 324.415 3.224 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC001277796900 1098395829 /nfs/dbraw/zinc/39/58/29/1098395829.db2.gz MVJMFFBMKWWGOG-YQQQUEKLSA-N 2 1 315.461 3.138 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874194 1098446582 /nfs/dbraw/zinc/44/65/82/1098446582.db2.gz HAXYEVTXZLDETI-QZTJIDSGSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874194 1098446585 /nfs/dbraw/zinc/44/65/85/1098446585.db2.gz HAXYEVTXZLDETI-QZTJIDSGSA-N 2 1 302.462 3.274 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874194 1098446588 /nfs/dbraw/zinc/44/65/88/1098446588.db2.gz HAXYEVTXZLDETI-QZTJIDSGSA-N 2 1 302.462 3.274 20 0 DGADMP CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCC[NH+](CC)CC)[C@@H]1C ZINC001176915342 1098455552 /nfs/dbraw/zinc/45/55/52/1098455552.db2.gz JDSAPQUAXMBJHO-YYIAUSFCSA-N 2 1 312.498 3.016 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCCCC4CCOCC4)C[C@@]2(C1)CCCC3 ZINC001177008702 1098463334 /nfs/dbraw/zinc/46/33/34/1098463334.db2.gz NMLHTRAAHPHXSW-BGYRXZFFSA-N 2 1 320.521 3.391 20 0 DGADMP CC[N@@H+]1CCC[C@@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065940 1098470343 /nfs/dbraw/zinc/47/03/43/1098470343.db2.gz IBFNWYMCQVGACK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177065940 1098470345 /nfs/dbraw/zinc/47/03/45/1098470345.db2.gz IBFNWYMCQVGACK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065940 1098470349 /nfs/dbraw/zinc/47/03/49/1098470349.db2.gz IBFNWYMCQVGACK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177065940 1098470350 /nfs/dbraw/zinc/47/03/50/1098470350.db2.gz IBFNWYMCQVGACK-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC001177231628 1098498715 /nfs/dbraw/zinc/49/87/15/1098498715.db2.gz YEQVCTZPBCDCFD-UHFFFAOYSA-N 2 1 300.450 3.205 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC001177231628 1098498721 /nfs/dbraw/zinc/49/87/21/1098498721.db2.gz YEQVCTZPBCDCFD-UHFFFAOYSA-N 2 1 300.450 3.205 20 0 DGADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001234245387 1098521670 /nfs/dbraw/zinc/52/16/70/1098521670.db2.gz XLDFYBWJMGHKHG-HNNXBMFYSA-N 2 1 324.440 3.148 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001177541732 1098552978 /nfs/dbraw/zinc/55/29/78/1098552978.db2.gz AOXTWIKSRCWYJY-MRXNPFEDSA-N 2 1 306.498 3.076 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001177541732 1098552981 /nfs/dbraw/zinc/55/29/81/1098552981.db2.gz AOXTWIKSRCWYJY-MRXNPFEDSA-N 2 1 306.498 3.076 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2)[C@@H]1c1cccs1 ZINC001177913355 1098646383 /nfs/dbraw/zinc/64/63/83/1098646383.db2.gz WYUFNCHQZNHPNH-DOTOQJQBSA-N 2 1 301.459 3.316 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2)[C@@H]1c1cccs1 ZINC001177913355 1098646385 /nfs/dbraw/zinc/64/63/85/1098646385.db2.gz WYUFNCHQZNHPNH-DOTOQJQBSA-N 2 1 301.459 3.316 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(C)c1 ZINC001177972200 1098653227 /nfs/dbraw/zinc/65/32/27/1098653227.db2.gz FFIZQNFTBRHORY-UHFFFAOYSA-N 2 1 304.478 3.282 20 0 DGADMP Clc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001234982567 1098734448 /nfs/dbraw/zinc/73/44/48/1098734448.db2.gz VATKJDVRTHXRCB-GASCZTMLSA-N 2 1 313.832 3.053 20 0 DGADMP Clc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001234982567 1098734457 /nfs/dbraw/zinc/73/44/57/1098734457.db2.gz VATKJDVRTHXRCB-GASCZTMLSA-N 2 1 313.832 3.053 20 0 DGADMP CCCCCCc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)s1 ZINC001234992154 1098736820 /nfs/dbraw/zinc/73/68/20/1098736820.db2.gz JFDYZTHHVQKZGP-SFHVURJKSA-N 2 1 321.534 3.008 20 0 DGADMP CCSCC[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277914780 1098737963 /nfs/dbraw/zinc/73/79/63/1098737963.db2.gz WSBQCJUDWFXDSL-UHFFFAOYSA-N 2 1 304.503 3.219 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2O1 ZINC001234993554 1098737980 /nfs/dbraw/zinc/73/79/80/1098737980.db2.gz QFCDPLOBYYZPLU-FQEVSTJZSA-N 2 1 314.473 3.366 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2O1 ZINC001234993554 1098737991 /nfs/dbraw/zinc/73/79/91/1098737991.db2.gz QFCDPLOBYYZPLU-FQEVSTJZSA-N 2 1 314.473 3.366 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)s2)cc1 ZINC001235025238 1098758410 /nfs/dbraw/zinc/75/84/10/1098758410.db2.gz YHQUNHWTDBFBDL-UHFFFAOYSA-N 2 1 314.454 3.219 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)s2)cc1 ZINC001235025238 1098758418 /nfs/dbraw/zinc/75/84/18/1098758418.db2.gz YHQUNHWTDBFBDL-UHFFFAOYSA-N 2 1 314.454 3.219 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235031845 1098761623 /nfs/dbraw/zinc/76/16/23/1098761623.db2.gz PEIJTVVILJJQPO-UYAOXDASSA-N 2 1 320.521 3.340 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235034086 1098764089 /nfs/dbraw/zinc/76/40/89/1098764089.db2.gz UPEMXGHMICBAKA-FQEVSTJZSA-N 2 1 308.425 3.245 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235039958 1098767219 /nfs/dbraw/zinc/76/72/19/1098767219.db2.gz JNULTGMXDQIXFX-KRWDZBQOSA-N 2 1 310.388 3.396 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036810 1098767369 /nfs/dbraw/zinc/76/73/69/1098767369.db2.gz BWBGEJAUUBWROF-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036810 1098767379 /nfs/dbraw/zinc/76/73/79/1098767379.db2.gz BWBGEJAUUBWROF-GOSISDBHSA-N 2 1 306.425 3.333 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CCCO2 ZINC001235046577 1098774389 /nfs/dbraw/zinc/77/43/89/1098774389.db2.gz RNFCBGALIOAODP-IBGZPJMESA-N 2 1 300.446 3.120 20 0 DGADMP c1ccc2[nH]c(C[N@H+]3CCC4(C3)CC[NH+](C3CC3)CC4)nc2c1 ZINC001277921406 1098789086 /nfs/dbraw/zinc/78/90/86/1098789086.db2.gz BLNIGDNVQYDIHY-UHFFFAOYSA-N 2 1 310.445 3.013 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc(C)c1F ZINC001235086178 1098792141 /nfs/dbraw/zinc/79/21/41/1098792141.db2.gz AKKNVEYWIODFRF-INIZCTEOSA-N 2 1 312.379 3.263 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc(C)c1F ZINC001235086178 1098792156 /nfs/dbraw/zinc/79/21/56/1098792156.db2.gz AKKNVEYWIODFRF-INIZCTEOSA-N 2 1 312.379 3.263 20 0 DGADMP Fc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cccc1C(F)(F)F ZINC001235091924 1098792566 /nfs/dbraw/zinc/79/25/66/1098792566.db2.gz FJQCYYUMEVIUQP-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP C[N@H+](Cc1cccc(N2CCCC2)c1)CC1CC[NH+](C)CC1 ZINC001235091312 1098794099 /nfs/dbraw/zinc/79/40/99/1098794099.db2.gz DUGTYBBBJRXVGH-UHFFFAOYSA-N 2 1 301.478 3.060 20 0 DGADMP Brc1cccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235092423 1098796175 /nfs/dbraw/zinc/79/61/75/1098796175.db2.gz JNMVCMBTXSGAMI-UHFFFAOYSA-N 2 1 323.278 3.067 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(N4CCCC4)c3)C[C@H]2C1 ZINC001235097785 1098797384 /nfs/dbraw/zinc/79/73/84/1098797384.db2.gz CYEABDPXQMSUCE-RTBURBONSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(N2CCCC2)c1 ZINC001235099632 1098800094 /nfs/dbraw/zinc/80/00/94/1098800094.db2.gz VFXSVZIHBGWVTE-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP Brc1ccc(CC[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235139726 1098833139 /nfs/dbraw/zinc/83/31/39/1098833139.db2.gz CQDBWUKGSZEKAT-UHFFFAOYSA-N 2 1 323.278 3.210 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235144076 1098833711 /nfs/dbraw/zinc/83/37/11/1098833711.db2.gz JQXNCRWMDXHNAG-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235144076 1098833718 /nfs/dbraw/zinc/83/37/18/1098833718.db2.gz JQXNCRWMDXHNAG-UHFFFAOYSA-N 2 1 323.278 3.476 20 0 DGADMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)s1 ZINC001235151699 1098837615 /nfs/dbraw/zinc/83/76/15/1098837615.db2.gz AIANKWFRGYTDQF-MRXNPFEDSA-N 2 1 307.507 3.168 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235153247 1098838947 /nfs/dbraw/zinc/83/89/47/1098838947.db2.gz IWKGTSNRDPHGJT-GOSISDBHSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153230 1098839169 /nfs/dbraw/zinc/83/91/69/1098839169.db2.gz ISDLSWPCXUZYET-GOSISDBHSA-N 2 1 302.462 3.358 20 0 DGADMP Fc1ccc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235152674 1098839501 /nfs/dbraw/zinc/83/95/01/1098839501.db2.gz OTFZLNHHPTUFIV-SFHVURJKSA-N 2 1 308.416 3.361 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1F ZINC001235153301 1098839671 /nfs/dbraw/zinc/83/96/71/1098839671.db2.gz JIIHZVKASCQTSQ-KRWDZBQOSA-N 2 1 306.425 3.188 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1F ZINC001235153305 1098839729 /nfs/dbraw/zinc/83/97/29/1098839729.db2.gz JIIHZVKASCQTSQ-QGZVFWFLSA-N 2 1 306.425 3.188 20 0 DGADMP COc1nc(Cl)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153098 1098839937 /nfs/dbraw/zinc/83/99/37/1098839937.db2.gz DPMDTFXMYBIUMQ-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP CN(C)c1cc(F)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235155616 1098841711 /nfs/dbraw/zinc/84/17/11/1098841711.db2.gz MCVXUGVESIRZJR-IBGZPJMESA-N 2 1 319.468 3.246 20 0 DGADMP COc1cccc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235157871 1098844255 /nfs/dbraw/zinc/84/42/55/1098844255.db2.gz SJBPVOMEQBFUPK-QGZVFWFLSA-N 2 1 306.425 3.188 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159326 1098844315 /nfs/dbraw/zinc/84/43/15/1098844315.db2.gz WIANDGFANLZIOF-GOSISDBHSA-N 2 1 302.462 3.358 20 0 DGADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159866 1098845156 /nfs/dbraw/zinc/84/51/56/1098845156.db2.gz XGEQDJBIDQNVMN-MAUKXSAKSA-N 2 1 318.509 3.288 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)n1 ZINC001235191647 1098868260 /nfs/dbraw/zinc/86/82/60/1098868260.db2.gz URGPMRIWVWOYAJ-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)n1 ZINC001235191647 1098868271 /nfs/dbraw/zinc/86/82/71/1098868271.db2.gz URGPMRIWVWOYAJ-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235224491 1098896279 /nfs/dbraw/zinc/89/62/79/1098896279.db2.gz MSBXLWCRXLDFOQ-ILXRZTDVSA-N 2 1 304.400 3.453 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235227327 1098902431 /nfs/dbraw/zinc/90/24/31/1098902431.db2.gz HTMJPEKCEAWHGD-KRWDZBQOSA-N 2 1 312.379 3.458 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235256188 1098928112 /nfs/dbraw/zinc/92/81/12/1098928112.db2.gz QQYVCSAMAAPEKT-WDSOQIARSA-N 2 1 308.425 3.284 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264054 1098935585 /nfs/dbraw/zinc/93/55/85/1098935585.db2.gz VWXHIOLNJQUBLI-AZUAARDMSA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264054 1098935594 /nfs/dbraw/zinc/93/55/94/1098935594.db2.gz VWXHIOLNJQUBLI-AZUAARDMSA-N 2 1 308.425 3.156 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235264983 1098938214 /nfs/dbraw/zinc/93/82/14/1098938214.db2.gz SCEIZOOMCDTFEV-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235264983 1098938223 /nfs/dbraw/zinc/93/82/23/1098938223.db2.gz SCEIZOOMCDTFEV-PZJWPPBQSA-N 2 1 322.452 3.449 20 0 DGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283852 1098942916 /nfs/dbraw/zinc/94/29/16/1098942916.db2.gz HUVOCANLWWEDQD-ALXJQNPVSA-N 2 1 313.832 3.099 20 0 DGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283852 1098942926 /nfs/dbraw/zinc/94/29/26/1098942926.db2.gz HUVOCANLWWEDQD-ALXJQNPVSA-N 2 1 313.832 3.099 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235340447 1098964359 /nfs/dbraw/zinc/96/43/59/1098964359.db2.gz JBWBQBUIQXWEGY-QGZVFWFLSA-N 2 1 302.462 3.132 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340791 1098964382 /nfs/dbraw/zinc/96/43/82/1098964382.db2.gz MGCJJXMQVDTQOZ-ZDUSSCGKSA-N 2 1 323.278 3.107 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235342546 1098967009 /nfs/dbraw/zinc/96/70/09/1098967009.db2.gz XSEHZFNGZJGEQV-IBGZPJMESA-N 2 1 322.452 3.404 20 0 DGADMP Fc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342523 1098967219 /nfs/dbraw/zinc/96/72/19/1098967219.db2.gz WOTPRACYXXLTBV-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP Fc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342523 1098967228 /nfs/dbraw/zinc/96/72/28/1098967228.db2.gz WOTPRACYXXLTBV-VIFPVBQESA-N 2 1 303.208 3.174 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348432 1098969969 /nfs/dbraw/zinc/96/99/69/1098969969.db2.gz FJXLQRBFLRSRCU-JOZSIVFUSA-N 2 1 308.469 3.278 20 0 DGADMP c1cc2c(s1)CC[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235348668 1098970394 /nfs/dbraw/zinc/97/03/94/1098970394.db2.gz ICXOOYJBCZLMPO-UHFFFAOYSA-N 2 1 323.465 3.364 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)oc1C ZINC001235350412 1098973012 /nfs/dbraw/zinc/97/30/12/1098973012.db2.gz HCVUMNDODGFGKO-WOJBJXKFSA-N 2 1 310.441 3.476 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)oc1C ZINC001235350412 1098973022 /nfs/dbraw/zinc/97/30/22/1098973022.db2.gz HCVUMNDODGFGKO-WOJBJXKFSA-N 2 1 310.441 3.476 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235360920 1098978527 /nfs/dbraw/zinc/97/85/27/1098978527.db2.gz DCVYYBAZHHQKAR-FGZHOGPDSA-N 2 1 320.480 3.482 20 0 DGADMP CCc1cccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001235377929 1098988226 /nfs/dbraw/zinc/98/82/26/1098988226.db2.gz WIBCCWLYYVPGAW-RTWAWAEBSA-N 2 1 321.468 3.223 20 0 DGADMP CCc1cccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001235377929 1098988231 /nfs/dbraw/zinc/98/82/31/1098988231.db2.gz WIBCCWLYYVPGAW-RTWAWAEBSA-N 2 1 321.468 3.223 20 0 DGADMP CC(C)(C)c1ccc(C[N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cc1 ZINC001235393548 1098993926 /nfs/dbraw/zinc/99/39/26/1098993926.db2.gz BFZGPRQAAHSSJM-WBVHZDCISA-N 2 1 304.453 3.493 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399315 1098995755 /nfs/dbraw/zinc/99/57/55/1098995755.db2.gz AISVKFAAPKSFGQ-GJZGRUSLSA-N 2 1 316.342 3.229 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235399315 1098995758 /nfs/dbraw/zinc/99/57/58/1098995758.db2.gz AISVKFAAPKSFGQ-GJZGRUSLSA-N 2 1 316.342 3.229 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235401864 1098997721 /nfs/dbraw/zinc/99/77/21/1098997721.db2.gz HZULMTDJRMPBRZ-IAGOWNOFSA-N 2 1 310.844 3.296 20 0 DGADMP CCc1cccc2c(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)c[nH]c21 ZINC001235404034 1099000924 /nfs/dbraw/zinc/00/09/24/1099000924.db2.gz MAIYWGCFDQZTTC-IEBWSBKVSA-N 2 1 315.436 3.254 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3sccc31)C2 ZINC001235405045 1099001630 /nfs/dbraw/zinc/00/16/30/1099001630.db2.gz NBMRCWLXBIGXGD-SJORKVTESA-N 2 1 304.434 3.425 20 0 DGADMP CC(C)c1ccc(CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235404993 1099002678 /nfs/dbraw/zinc/00/26/78/1099002678.db2.gz OMZWLFPUWVLPAY-RTBURBONSA-N 2 1 304.453 3.376 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235411073 1099006448 /nfs/dbraw/zinc/00/64/48/1099006448.db2.gz ZYEAAQWKQSNJOH-RBUKOAKNSA-N 2 1 320.452 3.245 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235411073 1099006459 /nfs/dbraw/zinc/00/64/59/1099006459.db2.gz ZYEAAQWKQSNJOH-RBUKOAKNSA-N 2 1 320.452 3.245 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC001179066367 1099010054 /nfs/dbraw/zinc/01/00/54/1099010054.db2.gz HOIPVYQBKZPBLB-NKAIQICCSA-N 2 1 324.896 3.426 20 0 DGADMP Oc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235421843 1099012830 /nfs/dbraw/zinc/01/28/30/1099012830.db2.gz CKTQDGAHQQGTCV-CABCVRRESA-N 2 1 308.853 3.257 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235420827 1099013076 /nfs/dbraw/zinc/01/30/76/1099013076.db2.gz BHTPFPGARQUBSS-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP Oc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235421851 1099013712 /nfs/dbraw/zinc/01/37/12/1099013712.db2.gz CKTQDGAHQQGTCV-GJZGRUSLSA-N 2 1 308.853 3.257 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235422265 1099013896 /nfs/dbraw/zinc/01/38/96/1099013896.db2.gz AQMCJNOVXAZBEW-HZPDHXFCSA-N 2 1 308.416 3.219 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235424027 1099017678 /nfs/dbraw/zinc/01/76/78/1099017678.db2.gz IWGVJMQOTWRQAI-HOTGVXAUSA-N 2 1 306.425 3.046 20 0 DGADMP COc1c(F)ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235427585 1099018298 /nfs/dbraw/zinc/01/82/98/1099018298.db2.gz MLRSXYXZDCUYOH-UONOGXRCSA-N 2 1 324.415 3.185 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426662 1099019052 /nfs/dbraw/zinc/01/90/52/1099019052.db2.gz PNOOUWGHARTPKE-OALUTQOASA-N 2 1 316.489 3.339 20 0 DGADMP c1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235428372 1099020961 /nfs/dbraw/zinc/02/09/61/1099020961.db2.gz VDVNACGSMHGULX-QZTJIDSGSA-N 2 1 309.457 3.446 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429163 1099022799 /nfs/dbraw/zinc/02/27/99/1099022799.db2.gz PRJBQPUHOMIDBW-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP c1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2c1 ZINC001235428377 1099023302 /nfs/dbraw/zinc/02/33/02/1099023302.db2.gz VDVNACGSMHGULX-ROUUACIJSA-N 2 1 309.457 3.446 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cnc1C1CC1 ZINC001235430190 1099026175 /nfs/dbraw/zinc/02/61/75/1099026175.db2.gz GPBGGQPCPJTXJZ-OALUTQOASA-N 2 1 313.489 3.479 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432208 1099027742 /nfs/dbraw/zinc/02/77/42/1099027742.db2.gz QSCFVGMKGXXFGH-HZPDHXFCSA-N 2 1 320.452 3.354 20 0 DGADMP CN(C)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235431182 1099027857 /nfs/dbraw/zinc/02/78/57/1099027857.db2.gz LUPOKZMNONNGNL-SJORKVTESA-N 2 1 319.468 3.103 20 0 DGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432385 1099029399 /nfs/dbraw/zinc/02/93/99/1099029399.db2.gz XFNWOPNBJKGQNB-GJZGRUSLSA-N 2 1 308.416 3.485 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)CC1CC[NH2+]CC1 ZINC001235433810 1099030623 /nfs/dbraw/zinc/03/06/23/1099030623.db2.gz RLVMCAVYUTXUPZ-UHFFFAOYSA-N 2 1 302.462 3.222 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433485 1099030836 /nfs/dbraw/zinc/03/08/36/1099030836.db2.gz JMZYVHHWZQVEOB-UHFFFAOYSA-N 2 1 300.368 3.445 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235434016 1099032200 /nfs/dbraw/zinc/03/22/00/1099032200.db2.gz XAPRZGZVBGPPAO-UHFFFAOYSA-N 2 1 316.367 3.325 20 0 DGADMP CC(C)Oc1c(C[N@@H+](C)CC2CC[NH2+]CC2)ccc(F)c1F ZINC001235433085 1099032397 /nfs/dbraw/zinc/03/23/97/1099032397.db2.gz QTPHPBJSEIGMOQ-UHFFFAOYSA-N 2 1 312.404 3.183 20 0 DGADMP COc1ccccc1N(C)c1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC001235435268 1099032479 /nfs/dbraw/zinc/03/24/79/1099032479.db2.gz GBHFPQMWFVGBFR-UHFFFAOYSA-N 2 1 313.445 3.244 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235620521 1099099899 /nfs/dbraw/zinc/09/98/99/1099099899.db2.gz KILACFSIZKXBAY-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235620521 1099099910 /nfs/dbraw/zinc/09/99/10/1099099910.db2.gz KILACFSIZKXBAY-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235620521 1099099923 /nfs/dbraw/zinc/09/99/23/1099099923.db2.gz KILACFSIZKXBAY-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC001235664293 1099112429 /nfs/dbraw/zinc/11/24/29/1099112429.db2.gz QGTVDWHZEBNIMZ-FZMZJTMJSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001235664293 1099112441 /nfs/dbraw/zinc/11/24/41/1099112441.db2.gz QGTVDWHZEBNIMZ-FZMZJTMJSA-N 2 1 302.796 3.263 20 0 DGADMP Fc1ccc(OC2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235670523 1099114675 /nfs/dbraw/zinc/11/46/75/1099114675.db2.gz UICVYOAOQKCETP-INIZCTEOSA-N 2 1 306.425 3.201 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001235675184 1099118241 /nfs/dbraw/zinc/11/82/41/1099118241.db2.gz KIHDDFBUVOXNFG-GFCCVEGCSA-N 2 1 304.381 3.469 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001235675184 1099118247 /nfs/dbraw/zinc/11/82/47/1099118247.db2.gz KIHDDFBUVOXNFG-GFCCVEGCSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689324 1099127965 /nfs/dbraw/zinc/12/79/65/1099127965.db2.gz DGNNREZLPVCWQE-BWAJOPIQSA-N 2 1 312.448 3.378 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235689324 1099127971 /nfs/dbraw/zinc/12/79/71/1099127971.db2.gz DGNNREZLPVCWQE-BWAJOPIQSA-N 2 1 312.448 3.378 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(C[NH3+])cc3)C2)cc1 ZINC001235689218 1099128427 /nfs/dbraw/zinc/12/84/27/1099128427.db2.gz YPIDMHXPGNTXOS-FQEVSTJZSA-N 2 1 310.441 3.497 20 0 DGADMP c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235686747 1099128521 /nfs/dbraw/zinc/12/85/21/1099128521.db2.gz BQESDYPRDVYHOC-OAQYLSRUSA-N 2 1 322.452 3.123 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC001235688912 1099128996 /nfs/dbraw/zinc/12/89/96/1099128996.db2.gz VHIUBNAQDNLCQC-SFHVURJKSA-N 2 1 306.450 3.058 20 0 DGADMP CCC[C@H]1CCCC[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235693350 1099132280 /nfs/dbraw/zinc/13/22/80/1099132280.db2.gz ABGSHTKHNYNIMG-SFHVURJKSA-N 2 1 301.478 3.251 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001235713608 1099141062 /nfs/dbraw/zinc/14/10/62/1099141062.db2.gz DETRIDKDBABNJE-DAXOMENPSA-N 2 1 312.379 3.453 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001235713608 1099141068 /nfs/dbraw/zinc/14/10/68/1099141068.db2.gz DETRIDKDBABNJE-DAXOMENPSA-N 2 1 312.379 3.453 20 0 DGADMP c1cncc(O[C@H]2CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)c1 ZINC001235712976 1099141420 /nfs/dbraw/zinc/14/14/20/1099141420.db2.gz UJTIBKAEOCMUPY-IBGZPJMESA-N 2 1 317.477 3.237 20 0 DGADMP c1cncc(O[C@H]2CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)c1 ZINC001235712976 1099141425 /nfs/dbraw/zinc/14/14/25/1099141425.db2.gz UJTIBKAEOCMUPY-IBGZPJMESA-N 2 1 317.477 3.237 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713601 1099141738 /nfs/dbraw/zinc/14/17/38/1099141738.db2.gz MNVLXWFHMVHRBT-UHFFFAOYSA-N 2 1 302.462 3.276 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713601 1099141745 /nfs/dbraw/zinc/14/17/45/1099141745.db2.gz MNVLXWFHMVHRBT-UHFFFAOYSA-N 2 1 302.462 3.276 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC(F)F)cc1F ZINC001235717725 1099143080 /nfs/dbraw/zinc/14/30/80/1099143080.db2.gz LAIXJRPSDJGHOA-UHFFFAOYSA-N 2 1 316.367 3.249 20 0 DGADMP c1ccc(C[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235715888 1099143424 /nfs/dbraw/zinc/14/34/24/1099143424.db2.gz XBBZBTCQBZXPKF-IBGZPJMESA-N 2 1 306.453 3.397 20 0 DGADMP C[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1cccc(C(F)(F)F)c1 ZINC001235725190 1099147080 /nfs/dbraw/zinc/14/70/80/1099147080.db2.gz IQVZVYVRYFELGY-UHFFFAOYSA-N 2 1 323.362 3.242 20 0 DGADMP Fc1ccccc1[C@H]1CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235724098 1099147561 /nfs/dbraw/zinc/14/75/61/1099147561.db2.gz BREHXUHRQCCHIP-INIZCTEOSA-N 2 1 302.437 3.395 20 0 DGADMP CC[NH2+]C1CC[NH+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001235727369 1099148944 /nfs/dbraw/zinc/14/89/44/1099148944.db2.gz ZKTVBRCKEURKBR-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001235726122 1099149525 /nfs/dbraw/zinc/14/95/25/1099149525.db2.gz MUTOBDYCZRUBLX-SFHVURJKSA-N 2 1 320.502 3.175 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235726082 1099149736 /nfs/dbraw/zinc/14/97/36/1099149736.db2.gz MMZXEIHRANVJDW-UMVBOHGHSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235726082 1099149743 /nfs/dbraw/zinc/14/97/43/1099149743.db2.gz MMZXEIHRANVJDW-UMVBOHGHSA-N 2 1 312.379 3.106 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(Br)ccc3ccccc32)C1 ZINC001235750654 1099163214 /nfs/dbraw/zinc/16/32/14/1099163214.db2.gz RCLJZNDUGPCPEE-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC001235749774 1099163472 /nfs/dbraw/zinc/16/34/72/1099163472.db2.gz KJCAANMSFKFGAD-KRWDZBQOSA-N 2 1 309.457 3.200 20 0 DGADMP CN(c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1)c1ccccc1F ZINC001235748668 1099164067 /nfs/dbraw/zinc/16/40/67/1099164067.db2.gz DIEAPIREIFZFJJ-MRXNPFEDSA-N 2 1 313.420 3.374 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC001235751451 1099165023 /nfs/dbraw/zinc/16/50/23/1099165023.db2.gz ZRJBUJQNDVPAMT-LJQANCHMSA-N 2 1 310.441 3.355 20 0 DGADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1F ZINC001235803149 1099187592 /nfs/dbraw/zinc/18/75/92/1099187592.db2.gz KPTZHWNICAYJAY-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP COCCC[N@H+](Cc1ccc2cccccc1-2)[C@@H]1CCC[NH2+]C1 ZINC001235809616 1099190788 /nfs/dbraw/zinc/19/07/88/1099190788.db2.gz KZPLPEPUPVVDCJ-LJQANCHMSA-N 2 1 312.457 3.382 20 0 DGADMP COCCC[N@@H+](Cc1ccc2cccccc1-2)[C@@H]1CCC[NH2+]C1 ZINC001235809616 1099190793 /nfs/dbraw/zinc/19/07/93/1099190793.db2.gz KZPLPEPUPVVDCJ-LJQANCHMSA-N 2 1 312.457 3.382 20 0 DGADMP Cc1ccc(CC[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001235840306 1099202939 /nfs/dbraw/zinc/20/29/39/1099202939.db2.gz IRGJHEBFLSWAJK-UHFFFAOYSA-N 2 1 300.471 3.377 20 0 DGADMP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235840902 1099204437 /nfs/dbraw/zinc/20/44/37/1099204437.db2.gz CQLKOVCGDISPLN-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001235840902 1099204441 /nfs/dbraw/zinc/20/44/41/1099204441.db2.gz CQLKOVCGDISPLN-LBPRGKRZSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cccc(CC[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC001235841088 1099205234 /nfs/dbraw/zinc/20/52/34/1099205234.db2.gz VQVFNYVZRKHARO-UHFFFAOYSA-N 2 1 316.470 3.077 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842820 1099206899 /nfs/dbraw/zinc/20/68/99/1099206899.db2.gz RSXOVBROTMEVIW-LLVKDONJSA-N 2 1 322.758 3.280 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842820 1099206906 /nfs/dbraw/zinc/20/69/06/1099206906.db2.gz RSXOVBROTMEVIW-LLVKDONJSA-N 2 1 322.758 3.280 20 0 DGADMP C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842189 1099207402 /nfs/dbraw/zinc/20/74/02/1099207402.db2.gz MJTQLLVEAFULAH-LJQANCHMSA-N 2 1 310.441 3.307 20 0 DGADMP Cc1nc2cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)ccc2s1 ZINC001235856795 1099219386 /nfs/dbraw/zinc/21/93/86/1099219386.db2.gz FIPVPVRQSIHOIH-KRWDZBQOSA-N 2 1 301.459 3.132 20 0 DGADMP Cc1nc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)ccc2s1 ZINC001235856795 1099219393 /nfs/dbraw/zinc/21/93/93/1099219393.db2.gz FIPVPVRQSIHOIH-KRWDZBQOSA-N 2 1 301.459 3.132 20 0 DGADMP Cc1nc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2s1 ZINC001235856795 1099219398 /nfs/dbraw/zinc/21/93/98/1099219398.db2.gz FIPVPVRQSIHOIH-KRWDZBQOSA-N 2 1 301.459 3.132 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2s1 ZINC001235856795 1099219403 /nfs/dbraw/zinc/21/94/03/1099219403.db2.gz FIPVPVRQSIHOIH-KRWDZBQOSA-N 2 1 301.459 3.132 20 0 DGADMP Clc1cccc([C@@H]2CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)c1Cl ZINC001235885820 1099233202 /nfs/dbraw/zinc/23/32/02/1099233202.db2.gz ZHPLCUCEBXNGAZ-ZZVYKPCYSA-N 2 1 311.256 3.248 20 0 DGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235889191 1099235364 /nfs/dbraw/zinc/23/53/64/1099235364.db2.gz XNJCWOUIGOLQSW-MRXNPFEDSA-N 2 1 323.868 3.098 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001235925527 1099260784 /nfs/dbraw/zinc/26/07/84/1099260784.db2.gz SHZVWLLLHQGRDV-HNNXBMFYSA-N 2 1 303.837 3.444 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001235925177 1099261220 /nfs/dbraw/zinc/26/12/20/1099261220.db2.gz KQIYDBFVYHDBIC-HNNXBMFYSA-N 2 1 311.267 3.195 20 0 DGADMP COc1ccc2cc(C[N@@H+]3CCC[C@H]3CC[NH3+])c(Cl)nc2c1 ZINC001235924991 1099261506 /nfs/dbraw/zinc/26/15/06/1099261506.db2.gz DTYXXMIZYGQMJU-AWEZNQCLSA-N 2 1 319.836 3.210 20 0 DGADMP COc1ccc2cc(C[N@H+]3CCC[C@H]3CC[NH3+])c(Cl)nc2c1 ZINC001235924991 1099261517 /nfs/dbraw/zinc/26/15/17/1099261517.db2.gz DTYXXMIZYGQMJU-AWEZNQCLSA-N 2 1 319.836 3.210 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001235924989 1099261824 /nfs/dbraw/zinc/26/18/24/1099261824.db2.gz DTURJRKAZAVFOQ-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001235924989 1099261827 /nfs/dbraw/zinc/26/18/27/1099261827.db2.gz DTURJRKAZAVFOQ-LBPRGKRZSA-N 2 1 322.250 3.244 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925146 1099262026 /nfs/dbraw/zinc/26/20/26/1099262026.db2.gz DBVVVEAYHFZBRO-LBPRGKRZSA-N 2 1 302.340 3.027 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925146 1099262033 /nfs/dbraw/zinc/26/20/33/1099262033.db2.gz DBVVVEAYHFZBRO-LBPRGKRZSA-N 2 1 302.340 3.027 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929352 1099265176 /nfs/dbraw/zinc/26/51/76/1099265176.db2.gz MPSMPPIJWUXIBX-LSDHHAIUSA-N 2 1 312.379 3.179 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235928941 1099265525 /nfs/dbraw/zinc/26/55/25/1099265525.db2.gz FWUXKGQQPJXJIC-CABCVRRESA-N 2 1 312.379 3.179 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cn2)c1C ZINC001235939473 1099275496 /nfs/dbraw/zinc/27/54/96/1099275496.db2.gz PHXITXNNJDBWEV-RBUKOAKNSA-N 2 1 321.468 3.407 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235941647 1099276369 /nfs/dbraw/zinc/27/63/69/1099276369.db2.gz WOJQOZOASCJKIR-IEBWSBKVSA-N 2 1 322.452 3.404 20 0 DGADMP Cc1ccc([C@@]2(C)C[N@@H+](Cc3cccc(C[NH3+])c3)CCO2)cc1 ZINC001235948590 1099281703 /nfs/dbraw/zinc/28/17/03/1099281703.db2.gz NLXRUXVLSUKIIQ-HXUWFJFHSA-N 2 1 310.441 3.201 20 0 DGADMP Cc1ccc([C@]2(C)C[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)CCO2)cc1 ZINC001235948911 1099284042 /nfs/dbraw/zinc/28/40/42/1099284042.db2.gz SIPDQVQOYHJHEQ-NRFANRHFSA-N 2 1 322.452 3.346 20 0 DGADMP Clc1cccc2c1CC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235949258 1099284089 /nfs/dbraw/zinc/28/40/89/1099284089.db2.gz AUOSXDCHIQFXCR-UHFFFAOYSA-N 2 1 304.865 3.478 20 0 DGADMP Cc1c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001235956711 1099286767 /nfs/dbraw/zinc/28/67/67/1099286767.db2.gz GFMGPOWWYFVVPK-CYBMUJFWSA-N 2 1 300.368 3.445 20 0 DGADMP C[N@@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@@H]1CCC[NH2+]C1 ZINC001235957479 1099288859 /nfs/dbraw/zinc/28/88/59/1099288859.db2.gz PPJIRPYOZSSXSO-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP C[N@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@@H]1CCC[NH2+]C1 ZINC001235957479 1099288866 /nfs/dbraw/zinc/28/88/66/1099288866.db2.gz PPJIRPYOZSSXSO-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCCc1ccccc1Br)C2 ZINC001235958309 1099288940 /nfs/dbraw/zinc/28/89/40/1099288940.db2.gz DKBAOWZAUDYJCC-MIFYACCESA-N 2 1 323.278 3.051 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCc1ccccc1Br)C2 ZINC001235958309 1099288952 /nfs/dbraw/zinc/28/89/52/1099288952.db2.gz DKBAOWZAUDYJCC-MIFYACCESA-N 2 1 323.278 3.051 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC1 ZINC001235958222 1099289973 /nfs/dbraw/zinc/28/99/73/1099289973.db2.gz AGCCILREKRNHDX-AKHDSKFASA-N 2 1 320.521 3.323 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCc1cccc(Br)c1)C2 ZINC001235958545 1099289996 /nfs/dbraw/zinc/28/99/96/1099289996.db2.gz ICDLXUJVTRWZRU-MIFYACCESA-N 2 1 323.278 3.051 20 0 DGADMP C[C@]1(c2ccc(Cl)cc2)C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC001235968237 1099297731 /nfs/dbraw/zinc/29/77/31/1099297731.db2.gz GGRHBZSVRAIOBT-GOSISDBHSA-N 2 1 322.880 3.277 20 0 DGADMP c1ccc2c(c1)C[N@H+](CC1CCSCC1)CC21CC[NH2+]CC1 ZINC001235973488 1099302873 /nfs/dbraw/zinc/30/28/73/1099302873.db2.gz FRVWUCNDPAKJKX-UHFFFAOYSA-N 2 1 316.514 3.267 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)CCN2 ZINC001235973791 1099303173 /nfs/dbraw/zinc/30/31/73/1099303173.db2.gz NGAMWWIOWPFPSP-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001235973791 1099303183 /nfs/dbraw/zinc/30/31/83/1099303183.db2.gz NGAMWWIOWPFPSP-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001235973791 1099303190 /nfs/dbraw/zinc/30/31/90/1099303190.db2.gz NGAMWWIOWPFPSP-OALUTQOASA-N 2 1 313.489 3.493 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980539 1099307740 /nfs/dbraw/zinc/30/77/40/1099307740.db2.gz PZIIWGWFGBYDJC-SCTDSRPQSA-N 2 1 306.494 3.077 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235979846 1099308601 /nfs/dbraw/zinc/30/86/01/1099308601.db2.gz LICUWXPXPBNXOO-AZUAARDMSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235979846 1099308609 /nfs/dbraw/zinc/30/86/09/1099308609.db2.gz LICUWXPXPBNXOO-AZUAARDMSA-N 2 1 308.425 3.285 20 0 DGADMP c1ccc(C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C2CC2)cc1 ZINC001235991029 1099315039 /nfs/dbraw/zinc/31/50/39/1099315039.db2.gz FFIXNQSXCRIVNG-UHFFFAOYSA-N 2 1 321.468 3.261 20 0 DGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H](C)CC ZINC001180118136 1099319311 /nfs/dbraw/zinc/31/93/11/1099319311.db2.gz XRALOWTVYIANIB-KRWDZBQOSA-N 2 1 313.530 3.031 20 0 DGADMP Cc1c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cccc1-c1ccccc1 ZINC001236001188 1099322250 /nfs/dbraw/zinc/32/22/50/1099322250.db2.gz DQYBLZFNGWPBKF-PMSBKCLSSA-N 2 1 322.452 3.068 20 0 DGADMP CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236007360 1099329565 /nfs/dbraw/zinc/32/95/65/1099329565.db2.gz YTWUORXYVHZRGY-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP Fc1cccc(C(F)(F)F)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008021 1099331909 /nfs/dbraw/zinc/33/19/09/1099331909.db2.gz IPXRVCZEBKUJNS-UHFFFAOYSA-N 2 1 316.342 3.420 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236059394 1099359117 /nfs/dbraw/zinc/35/91/17/1099359117.db2.gz HDVYUFNJFLGTBD-MRXNPFEDSA-N 2 1 313.470 3.298 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC001236059394 1099359129 /nfs/dbraw/zinc/35/91/29/1099359129.db2.gz HDVYUFNJFLGTBD-MRXNPFEDSA-N 2 1 313.470 3.298 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001236068193 1099367609 /nfs/dbraw/zinc/36/76/09/1099367609.db2.gz VQBUIBKSUMIOPV-AWEZNQCLSA-N 2 1 303.837 3.172 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001236068193 1099367618 /nfs/dbraw/zinc/36/76/18/1099367618.db2.gz VQBUIBKSUMIOPV-AWEZNQCLSA-N 2 1 303.837 3.172 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC001236068938 1099367803 /nfs/dbraw/zinc/36/78/03/1099367803.db2.gz ZBMIGFKXZVYLCU-QGZVFWFLSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1)c1cccc2ccccc21 ZINC001236074332 1099371463 /nfs/dbraw/zinc/37/14/63/1099371463.db2.gz XUHHJHLILPIMBE-VQIMIIECSA-N 2 1 323.484 3.051 20 0 DGADMP CC(C)c1cc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)ccc1Cl ZINC001236077483 1099375377 /nfs/dbraw/zinc/37/53/77/1099375377.db2.gz IEJVFRVVGWQNHE-INIZCTEOSA-N 2 1 321.896 3.071 20 0 DGADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C2CCCCC2)cc1 ZINC001236081544 1099377543 /nfs/dbraw/zinc/37/75/43/1099377543.db2.gz QIKMEFJECJCEHM-UHFFFAOYSA-N 2 1 315.505 3.071 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Cc3cccc(F)c3)CC2)CO1 ZINC001236092453 1099381796 /nfs/dbraw/zinc/38/17/96/1099381796.db2.gz LBVBHSQYBXMCGK-SFHVURJKSA-N 2 1 320.452 3.195 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC001236093653 1099382416 /nfs/dbraw/zinc/38/24/16/1099382416.db2.gz VWEJQJUPBWMAGS-SFHVURJKSA-N 2 1 304.478 3.469 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236111861 1099399762 /nfs/dbraw/zinc/39/97/62/1099399762.db2.gz MLGCBTVEEPHUBT-INIZCTEOSA-N 2 1 316.489 3.338 20 0 DGADMP Cc1c(F)cc(Br)c(C[N@H+](C)CCCC[NH3+])c1F ZINC001236141873 1099427723 /nfs/dbraw/zinc/42/77/23/1099427723.db2.gz NOOMGTSCIRUVES-UHFFFAOYSA-N 2 1 321.209 3.206 20 0 DGADMP Cc1c(F)cc(Br)c(C[N@@H+](C)CCCC[NH3+])c1F ZINC001236141873 1099427729 /nfs/dbraw/zinc/42/77/29/1099427729.db2.gz NOOMGTSCIRUVES-UHFFFAOYSA-N 2 1 321.209 3.206 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155074 1099436055 /nfs/dbraw/zinc/43/60/55/1099436055.db2.gz GCMMJGBGDXXTFR-ZBFHGGJFSA-N 2 1 310.432 3.430 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155074 1099436057 /nfs/dbraw/zinc/43/60/57/1099436057.db2.gz GCMMJGBGDXXTFR-ZBFHGGJFSA-N 2 1 310.432 3.430 20 0 DGADMP CCC[N@H+](Cc1ccc(OC)cc1OC(C)C)C1CC[NH2+]CC1 ZINC001236184293 1099453131 /nfs/dbraw/zinc/45/31/31/1099453131.db2.gz HCLLBRRVIVKSPJ-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP CCC[N@@H+](Cc1ccc(OC)cc1OC(C)C)C1CC[NH2+]CC1 ZINC001236184293 1099453144 /nfs/dbraw/zinc/45/31/44/1099453144.db2.gz HCLLBRRVIVKSPJ-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216614 1099474618 /nfs/dbraw/zinc/47/46/18/1099474618.db2.gz KRZKYGZIEBEYNE-SJORKVTESA-N 2 1 302.462 3.492 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216614 1099474623 /nfs/dbraw/zinc/47/46/23/1099474623.db2.gz KRZKYGZIEBEYNE-SJORKVTESA-N 2 1 302.462 3.492 20 0 DGADMP Cc1cccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1Br ZINC001236223217 1099481474 /nfs/dbraw/zinc/48/14/74/1099481474.db2.gz NVWRCGJPJRFREO-HDJSIYSDSA-N 2 1 311.267 3.459 20 0 DGADMP [NH3+]Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc1 ZINC001236227841 1099484007 /nfs/dbraw/zinc/48/40/07/1099484007.db2.gz NCGDDZNCXZUTAP-UHFFFAOYSA-N 3 1 323.484 3.417 20 0 DGADMP OCCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001236242108 1099497041 /nfs/dbraw/zinc/49/70/41/1099497041.db2.gz VWKLTANQINVQOG-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001236242108 1099497048 /nfs/dbraw/zinc/49/70/48/1099497048.db2.gz VWKLTANQINVQOG-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001236242108 1099497056 /nfs/dbraw/zinc/49/70/56/1099497056.db2.gz VWKLTANQINVQOG-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@H](O)C[N@@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001180769301 1099503921 /nfs/dbraw/zinc/50/39/21/1099503921.db2.gz YHYXKMAREUUPHQ-FXAWDEMLSA-N 2 1 318.505 3.237 20 0 DGADMP c1ccc(C[N@@H+](CCC2CCOCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236270448 1099512502 /nfs/dbraw/zinc/51/25/02/1099512502.db2.gz SVHKZWOONPOBBF-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP c1ccc(C[N@H+](CCC2CCOCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236270448 1099512515 /nfs/dbraw/zinc/51/25/15/1099512515.db2.gz SVHKZWOONPOBBF-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236303840 1099523586 /nfs/dbraw/zinc/52/35/86/1099523586.db2.gz SCAOJEXKHBIZQZ-UHFFFAOYSA-N 2 1 324.468 3.406 20 0 DGADMP c1ccc(C[N@H+](Cc2cccc3c2CCO3)C2CC[NH2+]CC2)cc1 ZINC001236300468 1099524164 /nfs/dbraw/zinc/52/41/64/1099524164.db2.gz DKNLGPVDQOLNEY-UHFFFAOYSA-N 2 1 322.452 3.376 20 0 DGADMP c1ccc(C[N@@H+](Cc2cccc3c2CCO3)C2CC[NH2+]CC2)cc1 ZINC001236300468 1099524172 /nfs/dbraw/zinc/52/41/72/1099524172.db2.gz DKNLGPVDQOLNEY-UHFFFAOYSA-N 2 1 322.452 3.376 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236304650 1099526035 /nfs/dbraw/zinc/52/60/35/1099526035.db2.gz NDKVIAMUIXLQKS-MOPGFXCFSA-N 2 1 316.489 3.482 20 0 DGADMP FC(F)(F)c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314226 1099528897 /nfs/dbraw/zinc/52/88/97/1099528897.db2.gz LTVHCZDANDSTTF-GASCZTMLSA-N 2 1 312.379 3.179 20 0 DGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314652 1099529481 /nfs/dbraw/zinc/52/94/81/1099529481.db2.gz QWROQWUISGYNGL-HPFXQQBRSA-N 2 1 304.865 3.375 20 0 DGADMP Fc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316470 1099530127 /nfs/dbraw/zinc/53/01/27/1099530127.db2.gz SSRUAQPHKMXNNO-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP Clc1cc2ccccc2nc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321283 1099533427 /nfs/dbraw/zinc/53/34/27/1099533427.db2.gz PHQHKMHLAZBLFH-GASCZTMLSA-N 2 1 315.848 3.320 20 0 DGADMP Cc1ccc(-c2cccc3c2CC[NH2+]C3)c(C[NH+]2CCOCC2)c1 ZINC001236361812 1099553774 /nfs/dbraw/zinc/55/37/74/1099553774.db2.gz UZVZHZWPAVEGMK-UHFFFAOYSA-N 2 1 322.452 3.140 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1O ZINC001236374506 1099559402 /nfs/dbraw/zinc/55/94/02/1099559402.db2.gz DJTVFTKHIPZVEC-KRWDZBQOSA-N 2 1 302.462 3.445 20 0 DGADMP CCOc1ncccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374092 1099559884 /nfs/dbraw/zinc/55/98/84/1099559884.db2.gz BFASXUKMDZLFES-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP CCOc1ncccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374092 1099559890 /nfs/dbraw/zinc/55/98/90/1099559890.db2.gz BFASXUKMDZLFES-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP Nc1nc(Cl)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375881 1099563287 /nfs/dbraw/zinc/56/32/87/1099563287.db2.gz NNDDYFXZNGMZJQ-ZDUSSCGKSA-N 2 1 322.884 3.061 20 0 DGADMP COc1cc(O)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375613 1099563600 /nfs/dbraw/zinc/56/36/00/1099563600.db2.gz LDJVCQNLXJOXQC-OAHLLOKOSA-N 2 1 318.461 3.145 20 0 DGADMP CNc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376506 1099565090 /nfs/dbraw/zinc/56/50/90/1099565090.db2.gz SCIYFLZUXJSBKH-INIZCTEOSA-N 2 1 301.478 3.473 20 0 DGADMP CC[N@@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@@H]1CC[NH2+]C1 ZINC001236408410 1099581760 /nfs/dbraw/zinc/58/17/60/1099581760.db2.gz LPBRMZBJUZNEHZ-QGZVFWFLSA-N 2 1 317.477 3.225 20 0 DGADMP CC[N@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@@H]1CC[NH2+]C1 ZINC001236408410 1099581772 /nfs/dbraw/zinc/58/17/72/1099581772.db2.gz LPBRMZBJUZNEHZ-QGZVFWFLSA-N 2 1 317.477 3.225 20 0 DGADMP CC[N@H+](Cc1ccc(OC)c(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236408460 1099582184 /nfs/dbraw/zinc/58/21/84/1099582184.db2.gz MTCUKGVXRCVHEI-ZDUSSCGKSA-N 2 1 316.367 3.145 20 0 DGADMP CC[N@H+](Cc1cccn1-c1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236408492 1099582710 /nfs/dbraw/zinc/58/27/10/1099582710.db2.gz NJQDGBJXXYAAEH-OAHLLOKOSA-N 2 1 301.409 3.048 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Oc1ccccc1 ZINC001236410533 1099583839 /nfs/dbraw/zinc/58/38/39/1099583839.db2.gz FTSJWIGUGCHVNK-RUYXUALKSA-N 2 1 308.425 3.437 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Oc1ccccc1 ZINC001236410533 1099583849 /nfs/dbraw/zinc/58/38/49/1099583849.db2.gz FTSJWIGUGCHVNK-RUYXUALKSA-N 2 1 308.425 3.437 20 0 DGADMP Cc1ccc(Oc2cccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236412306 1099585980 /nfs/dbraw/zinc/58/59/80/1099585980.db2.gz JZWFVNZYSUDPPN-PMOLBWCYSA-N 2 1 308.425 3.437 20 0 DGADMP Cc1ccc(Oc2cccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236412306 1099585993 /nfs/dbraw/zinc/58/59/93/1099585993.db2.gz JZWFVNZYSUDPPN-PMOLBWCYSA-N 2 1 308.425 3.437 20 0 DGADMP CC(C)c1cc(Br)cc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236412911 1099588452 /nfs/dbraw/zinc/58/84/52/1099588452.db2.gz XWXUMIFQOVYJDJ-ZSHCYNCHSA-N 2 1 323.278 3.222 20 0 DGADMP CC(C)c1cc(Br)cc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236412911 1099588462 /nfs/dbraw/zinc/58/84/62/1099588462.db2.gz XWXUMIFQOVYJDJ-ZSHCYNCHSA-N 2 1 323.278 3.222 20 0 DGADMP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236416237 1099590561 /nfs/dbraw/zinc/59/05/61/1099590561.db2.gz UUTFNDKAHSNIDW-BWTSREIZSA-N 2 1 312.388 3.268 20 0 DGADMP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236416237 1099590573 /nfs/dbraw/zinc/59/05/73/1099590573.db2.gz UUTFNDKAHSNIDW-BWTSREIZSA-N 2 1 312.388 3.268 20 0 DGADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001236422277 1099597990 /nfs/dbraw/zinc/59/79/90/1099597990.db2.gz DYGWNFJUVOTWGZ-SFHVURJKSA-N 2 1 302.462 3.360 20 0 DGADMP Cc1[nH+]ccn1-c1cc(-c2ccc(C[NH2+]CC(C)C)cc2)ncn1 ZINC001236427841 1099602713 /nfs/dbraw/zinc/60/27/13/1099602713.db2.gz IREOMEQXCISCKH-UHFFFAOYSA-N 2 1 321.428 3.383 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCOC[C@@H]1C1CCCCC1)CC[NH2+]C2 ZINC001236434900 1099611057 /nfs/dbraw/zinc/61/10/57/1099611057.db2.gz YYBFYONMGSCOHB-HXUWFJFHSA-N 2 1 314.473 3.113 20 0 DGADMP CC(C)(C)C[N@@H+](C[C@H]1COC2(CCCCC2)O1)C1CC[NH2+]CC1 ZINC001236457475 1099620361 /nfs/dbraw/zinc/62/03/61/1099620361.db2.gz LKPJOKNUPLCNPR-KRWDZBQOSA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc2c1OCC2)C1CC[NH2+]CC1 ZINC001236459512 1099621718 /nfs/dbraw/zinc/62/17/18/1099621718.db2.gz RUTJKJNFSDCNMT-UHFFFAOYSA-N 2 1 302.462 3.222 20 0 DGADMP CC(C)(C)C[N@H+](Cc1cccc2c1OCCO2)C1CC[NH2+]CC1 ZINC001236458622 1099622812 /nfs/dbraw/zinc/62/28/12/1099622812.db2.gz ZPMOBABUFJFUJH-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc2c1OCCO2)C1CC[NH2+]CC1 ZINC001236458622 1099622825 /nfs/dbraw/zinc/62/28/25/1099622825.db2.gz ZPMOBABUFJFUJH-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP CCOCC[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236460773 1099624906 /nfs/dbraw/zinc/62/49/06/1099624906.db2.gz RFQKQMUJMAFUTF-UHFFFAOYSA-N 2 1 324.896 3.363 20 0 DGADMP CCOCC[N@@H+](Cc1cc(C)c(C)cc1C)C1CC[NH2+]CC1 ZINC001236461607 1099625444 /nfs/dbraw/zinc/62/54/44/1099625444.db2.gz NBFBJXWJEOAADY-UHFFFAOYSA-N 2 1 304.478 3.202 20 0 DGADMP CCOCC[N@H+](Cc1c(C)cc(F)cc1C)C1CC[NH2+]CC1 ZINC001236465374 1099627144 /nfs/dbraw/zinc/62/71/44/1099627144.db2.gz PPNPKAYHCKURRM-UHFFFAOYSA-N 2 1 308.441 3.033 20 0 DGADMP CCOCC[N@@H+](Cc1c(C)cc(F)cc1C)C1CC[NH2+]CC1 ZINC001236465374 1099627147 /nfs/dbraw/zinc/62/71/47/1099627147.db2.gz PPNPKAYHCKURRM-UHFFFAOYSA-N 2 1 308.441 3.033 20 0 DGADMP Cc1cc(F)ccc1C[N@H+](C[C@@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236517561 1099655651 /nfs/dbraw/zinc/65/56/51/1099655651.db2.gz KMOLJJLFCTXMCY-IBGZPJMESA-N 2 1 318.436 3.381 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH2+]CC1 ZINC001236517561 1099655659 /nfs/dbraw/zinc/65/56/59/1099655659.db2.gz KMOLJJLFCTXMCY-IBGZPJMESA-N 2 1 318.436 3.381 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN(CC[NH3+])Cc1ccccc1 ZINC001236521746 1099657178 /nfs/dbraw/zinc/65/71/78/1099657178.db2.gz UJJYQRJFHJICID-UHFFFAOYSA-N 2 1 320.440 3.142 20 0 DGADMP Nc1ccc(F)c(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236542470 1099672305 /nfs/dbraw/zinc/67/23/05/1099672305.db2.gz RCULHOXSFWFWAF-HDJSIYSDSA-N 2 1 323.431 3.419 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236542541 1099672535 /nfs/dbraw/zinc/67/25/35/1099672535.db2.gz YJYJINRMQDVFJR-WGSAOQKQSA-N 3 1 321.553 3.480 20 0 DGADMP CN(C)CC1(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236542541 1099672538 /nfs/dbraw/zinc/67/25/38/1099672538.db2.gz YJYJINRMQDVFJR-WGSAOQKQSA-N 2 1 321.553 3.480 20 0 DGADMP CN(C)CC1(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC001236542541 1099672541 /nfs/dbraw/zinc/67/25/41/1099672541.db2.gz YJYJINRMQDVFJR-WGSAOQKQSA-N 2 1 321.553 3.480 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC[NH2+]C2CCCCC2)CC2CC2)CC1 ZINC001236550799 1099675585 /nfs/dbraw/zinc/67/55/85/1099675585.db2.gz HEZJFLZDLXTYJZ-UAPYVXQJSA-N 3 1 307.526 3.281 20 0 DGADMP CC(C)C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550766 1099676018 /nfs/dbraw/zinc/67/60/18/1099676018.db2.gz MTAYTGXTKXMDFO-WKILWMFISA-N 3 1 321.534 3.122 20 0 DGADMP CC(C)C[N@@H+](Cc1c(F)ccc(O)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551802 1099677648 /nfs/dbraw/zinc/67/76/48/1099677648.db2.gz LCWGFNFYJXJDIZ-JOCQHMNTSA-N 2 1 312.404 3.398 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565279 1099681096 /nfs/dbraw/zinc/68/10/96/1099681096.db2.gz CEIFBETVQFRZAY-JCNLHEQBSA-N 2 1 304.482 3.431 20 0 DGADMP Fc1cccc2c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c[nH]c21 ZINC001236598625 1099695286 /nfs/dbraw/zinc/69/52/86/1099695286.db2.gz LWSBDYCJYSPBKI-CYBMUJFWSA-N 2 1 301.409 3.271 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236598561 1099695882 /nfs/dbraw/zinc/69/58/82/1099695882.db2.gz LANKQMDKUFNQBS-INIZCTEOSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236598561 1099695886 /nfs/dbraw/zinc/69/58/86/1099695886.db2.gz LANKQMDKUFNQBS-INIZCTEOSA-N 2 1 302.462 3.438 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001236604815 1099698598 /nfs/dbraw/zinc/69/85/98/1099698598.db2.gz OMSJVEPWLRBAFT-CQSZACIVSA-N 2 1 302.340 3.064 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236614729 1099704180 /nfs/dbraw/zinc/70/41/80/1099704180.db2.gz BCGOZCOZBZCDJK-HNNXBMFYSA-N 2 1 311.267 3.237 20 0 DGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236614729 1099704190 /nfs/dbraw/zinc/70/41/90/1099704190.db2.gz BCGOZCOZBZCDJK-HNNXBMFYSA-N 2 1 311.267 3.237 20 0 DGADMP c1cc(O[C@@H]2CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)ccn1 ZINC001236615435 1099704472 /nfs/dbraw/zinc/70/44/72/1099704472.db2.gz HVRCGGFGERONBH-LJQANCHMSA-N 2 1 317.477 3.237 20 0 DGADMP c1cc(O[C@@H]2CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)ccn1 ZINC001236615435 1099704480 /nfs/dbraw/zinc/70/44/80/1099704480.db2.gz HVRCGGFGERONBH-LJQANCHMSA-N 2 1 317.477 3.237 20 0 DGADMP C[C@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H](c2ccccc2)CO1 ZINC001236621348 1099709192 /nfs/dbraw/zinc/70/91/92/1099709192.db2.gz ISEXIWFYDFHDSZ-QFBILLFUSA-N 2 1 314.473 3.228 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc4cc(OC)ccc4s3)C[C@@H]2C1 ZINC001236660395 1099727959 /nfs/dbraw/zinc/72/79/59/1099727959.db2.gz VJCPDKWSLDLOFY-GJZGRUSLSA-N 2 1 316.470 3.293 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236820407 1099805023 /nfs/dbraw/zinc/80/50/23/1099805023.db2.gz RVIRKXGOTIFMJI-VBNZEHGJSA-N 2 1 308.853 3.296 20 0 DGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236820407 1099805034 /nfs/dbraw/zinc/80/50/34/1099805034.db2.gz RVIRKXGOTIFMJI-VBNZEHGJSA-N 2 1 308.853 3.296 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@H]12 ZINC001236818928 1099807369 /nfs/dbraw/zinc/80/73/69/1099807369.db2.gz KZIOTQGIYKMMOE-VNQPRFMTSA-N 2 1 323.278 3.051 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cc4ccccc4)cc3)C[C@H]12 ZINC001236832035 1099817111 /nfs/dbraw/zinc/81/71/11/1099817111.db2.gz SWUUHYCCYZSQHZ-QHAWAJNXSA-N 2 1 306.453 3.447 20 0 DGADMP CCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+]C1 ZINC001236834197 1099819553 /nfs/dbraw/zinc/81/95/53/1099819553.db2.gz FFCJUGIVSZITQY-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835390 1099819584 /nfs/dbraw/zinc/81/95/84/1099819584.db2.gz MSMCLSIKMARNPJ-CQSZACIVSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+](Cc1c[nH]c2ccc(OCC)cc12)C[C@H]1CC[NH2+]C1 ZINC001236835672 1099822292 /nfs/dbraw/zinc/82/22/92/1099822292.db2.gz OOSKIDBFQKFYIE-HNNXBMFYSA-N 2 1 315.461 3.388 20 0 DGADMP CCC[N@@H+](Cc1ccc(F)cc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236842865 1099827174 /nfs/dbraw/zinc/82/71/74/1099827174.db2.gz BMGYLKSJVWTKON-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1ccc(F)cc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236842865 1099827183 /nfs/dbraw/zinc/82/71/83/1099827183.db2.gz BMGYLKSJVWTKON-OAHLLOKOSA-N 2 1 308.441 3.434 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236842593 1099827396 /nfs/dbraw/zinc/82/73/96/1099827396.db2.gz FYBHKFVTPBYTEV-ZDUSSCGKSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+](Cc1cc(F)c(OCC)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236843715 1099828489 /nfs/dbraw/zinc/82/84/89/1099828489.db2.gz PWXJEOWJQIVVED-ZDUSSCGKSA-N 2 1 312.404 3.185 20 0 DGADMP CCCCOc1ncc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)cc1C ZINC001236844783 1099829709 /nfs/dbraw/zinc/82/97/09/1099829709.db2.gz VQCLBNMADJOWOE-QGZVFWFLSA-N 2 1 319.493 3.390 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)c4ccoc43)C2)CC1 ZINC001236900254 1099862337 /nfs/dbraw/zinc/86/23/37/1099862337.db2.gz YUGUXKYHHDSTCZ-UHFFFAOYSA-N 2 1 302.393 3.490 20 0 DGADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Br)c2ccccc12 ZINC001236900735 1099862641 /nfs/dbraw/zinc/86/26/41/1099862641.db2.gz XBUXZINAUVKNDZ-NSHDSACASA-N 2 1 307.235 3.381 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Br)c2ccccc12 ZINC001236900735 1099862647 /nfs/dbraw/zinc/86/26/47/1099862647.db2.gz XBUXZINAUVKNDZ-NSHDSACASA-N 2 1 307.235 3.381 20 0 DGADMP COC[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001236913259 1099872425 /nfs/dbraw/zinc/87/24/25/1099872425.db2.gz JSJYKQUFHZLYNG-OAHLLOKOSA-N 2 1 305.809 3.137 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001236913282 1099874632 /nfs/dbraw/zinc/87/46/32/1099874632.db2.gz KXKXIPGPOBTVCV-KRWDZBQOSA-N 2 1 317.820 3.281 20 0 DGADMP FC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3Cl)C[C@H]12 ZINC001236918218 1099876878 /nfs/dbraw/zinc/87/68/78/1099876878.db2.gz YSWWDWFDESOLTA-QKDCVEJESA-N 2 1 305.784 3.173 20 0 DGADMP C[NH2+]CCC[NH+]1CCC(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001237013810 1099926886 /nfs/dbraw/zinc/92/68/86/1099926886.db2.gz AMIABAPUERRZAS-UHFFFAOYSA-N 2 1 316.489 3.488 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001237059737 1099951189 /nfs/dbraw/zinc/95/11/89/1099951189.db2.gz UYHNFMYCXCPGRW-CQSZACIVSA-N 2 1 304.331 3.405 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001237059737 1099951197 /nfs/dbraw/zinc/95/11/97/1099951197.db2.gz UYHNFMYCXCPGRW-CQSZACIVSA-N 2 1 304.331 3.405 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc1C ZINC001237081748 1099961493 /nfs/dbraw/zinc/96/14/93/1099961493.db2.gz LZJAMYGLONCILL-SFHVURJKSA-N 2 1 305.466 3.130 20 0 DGADMP CCCCOc1ncc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1C ZINC001237081748 1099961500 /nfs/dbraw/zinc/96/15/00/1099961500.db2.gz LZJAMYGLONCILL-SFHVURJKSA-N 2 1 305.466 3.130 20 0 DGADMP Clc1ccc2c(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c[nH]c2n1 ZINC001237157094 1100007249 /nfs/dbraw/zinc/00/72/49/1100007249.db2.gz RBAKPEFYMZPQGB-AWEZNQCLSA-N 2 1 318.852 3.323 20 0 DGADMP Clc1ccc2c(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c[nH]c2n1 ZINC001237157094 1100007255 /nfs/dbraw/zinc/00/72/55/1100007255.db2.gz RBAKPEFYMZPQGB-AWEZNQCLSA-N 2 1 318.852 3.323 20 0 DGADMP C[N@@H+](Cc1cccc(N)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001237223304 1100038572 /nfs/dbraw/zinc/03/85/72/1100038572.db2.gz VKJVNORAGIOHNM-UHFFFAOYSA-N 2 1 301.478 3.498 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CCC3CC[NH2+]CC3)CC[C@H]1N2 ZINC001237228431 1100042531 /nfs/dbraw/zinc/04/25/31/1100042531.db2.gz AQGIERMGEVVDLL-FUHWJXTLSA-N 2 1 319.880 3.313 20 0 DGADMP C[N@H+](CCC[NH2+]C1CCCCC1)C[C@H]1Cc2ccccc2O1 ZINC001237265354 1100051508 /nfs/dbraw/zinc/05/15/08/1100051508.db2.gz ONIWRVDHHZCKPD-GOSISDBHSA-N 2 1 302.462 3.234 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)C[C@H]1Cc2ccccc2O1 ZINC001237265354 1100051515 /nfs/dbraw/zinc/05/15/15/1100051515.db2.gz ONIWRVDHHZCKPD-GOSISDBHSA-N 2 1 302.462 3.234 20 0 DGADMP CS[C@H](C)CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274319 1100054948 /nfs/dbraw/zinc/05/49/48/1100054948.db2.gz AMDCDVQMOAHFQS-OAHLLOKOSA-N 2 1 304.503 3.265 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237379395 1100099544 /nfs/dbraw/zinc/09/95/44/1100099544.db2.gz BCTSARPAWSSRHO-GOEBONIOSA-N 2 1 312.379 3.322 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384320 1100103089 /nfs/dbraw/zinc/10/30/89/1100103089.db2.gz VTZHQKPHXXFSBL-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384320 1100103093 /nfs/dbraw/zinc/10/30/93/1100103093.db2.gz VTZHQKPHXXFSBL-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1CC ZINC001237392549 1100107521 /nfs/dbraw/zinc/10/75/21/1100107521.db2.gz NPQDDGGYDQSVEE-ZWKOTPCHSA-N 2 1 302.462 3.222 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1CC ZINC001237392549 1100107524 /nfs/dbraw/zinc/10/75/24/1100107524.db2.gz NPQDDGGYDQSVEE-ZWKOTPCHSA-N 2 1 302.462 3.222 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237394905 1100108562 /nfs/dbraw/zinc/10/85/62/1100108562.db2.gz XAHMIMMGODGKHS-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237394905 1100108569 /nfs/dbraw/zinc/10/85/69/1100108569.db2.gz XAHMIMMGODGKHS-MJGOQNOKSA-N 2 1 302.462 3.439 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237401236 1100110400 /nfs/dbraw/zinc/11/04/00/1100110400.db2.gz CHRASXFWYPVMJT-CTNGQTDRSA-N 2 1 323.484 3.480 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(CC)c1O ZINC001237402980 1100112040 /nfs/dbraw/zinc/11/20/40/1100112040.db2.gz JQRRHCZCQBZADP-MSOLQXFVSA-N 2 1 302.462 3.091 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(CC)c1O ZINC001237402980 1100112047 /nfs/dbraw/zinc/11/20/47/1100112047.db2.gz JQRRHCZCQBZADP-MSOLQXFVSA-N 2 1 302.462 3.091 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237415243 1100120383 /nfs/dbraw/zinc/12/03/83/1100120383.db2.gz PKRRAQZSFWJISE-SJLPKXTDSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237415243 1100120385 /nfs/dbraw/zinc/12/03/85/1100120385.db2.gz PKRRAQZSFWJISE-SJLPKXTDSA-N 2 1 302.462 3.438 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2n1 ZINC001237418931 1100120864 /nfs/dbraw/zinc/12/08/64/1100120864.db2.gz YSXCMCKLKUHXSS-HZPDHXFCSA-N 2 1 315.848 3.462 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2n1 ZINC001237418931 1100120867 /nfs/dbraw/zinc/12/08/67/1100120867.db2.gz YSXCMCKLKUHXSS-HZPDHXFCSA-N 2 1 315.848 3.462 20 0 DGADMP Cc1nc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2s1 ZINC001237419017 1100121380 /nfs/dbraw/zinc/12/13/80/1100121380.db2.gz ZAWNIWFGHORSJX-LSDHHAIUSA-N 2 1 301.459 3.179 20 0 DGADMP Cc1nc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2s1 ZINC001237419017 1100121374 /nfs/dbraw/zinc/12/13/74/1100121374.db2.gz ZAWNIWFGHORSJX-LSDHHAIUSA-N 2 1 301.459 3.179 20 0 DGADMP Cc1ccc(OCC[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001278126526 1100201645 /nfs/dbraw/zinc/20/16/45/1100201645.db2.gz KITOYGJQQLQTIB-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001278126526 1100201649 /nfs/dbraw/zinc/20/16/49/1100201649.db2.gz KITOYGJQQLQTIB-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278126526 1100201653 /nfs/dbraw/zinc/20/16/53/1100201653.db2.gz KITOYGJQQLQTIB-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278126526 1100201654 /nfs/dbraw/zinc/20/16/54/1100201654.db2.gz KITOYGJQQLQTIB-IBGZPJMESA-N 2 1 302.462 3.182 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)c(C)c3)C[C@H]2C1 ZINC001237729355 1100228030 /nfs/dbraw/zinc/22/80/30/1100228030.db2.gz AFFOODDTLKGCKA-QZTJIDSGSA-N 2 1 302.462 3.166 20 0 DGADMP COC[C@H]1CC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237881462 1100279550 /nfs/dbraw/zinc/27/95/50/1100279550.db2.gz SMHDLHDRNDMWCQ-INIZCTEOSA-N 2 1 300.446 3.156 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](O)[C@H](C)C3)cc21 ZINC001237880659 1100280396 /nfs/dbraw/zinc/28/03/96/1100280396.db2.gz IAECNOBMKIYKAO-BEFAXECRSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)cc21 ZINC001237880730 1100280968 /nfs/dbraw/zinc/28/09/68/1100280968.db2.gz JTOIQUUBVWFGEM-HXUWFJFHSA-N 2 1 312.457 3.300 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](CO)CC[C@@H]3C)cc21 ZINC001237880759 1100281060 /nfs/dbraw/zinc/28/10/60/1100281060.db2.gz JZLNSINHIGAROI-RDJZCZTQSA-N 2 1 314.473 3.281 20 0 DGADMP CC[N@@H+](CCn1cccn1)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237886691 1100281925 /nfs/dbraw/zinc/28/19/25/1100281925.db2.gz PWUAETCLPDZITJ-UHFFFAOYSA-N 2 1 324.472 3.406 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC001237960498 1100302790 /nfs/dbraw/zinc/30/27/90/1100302790.db2.gz MDHDHNUTJNXWKU-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001205545973 1100371766 /nfs/dbraw/zinc/37/17/66/1100371766.db2.gz NXNCQKIRAUCMGP-CQSZACIVSA-N 2 1 320.330 3.238 20 0 DGADMP CCN(CC[NH+]1CCCCC1)Cc1[nH+]cc(C)c(OC)c1C ZINC001238175131 1100380078 /nfs/dbraw/zinc/38/00/78/1100380078.db2.gz KROJWQQTFYAJGX-UHFFFAOYSA-N 2 1 305.466 3.015 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3([C@@H]4CCCCO4)CCC3)CC[C@H]21 ZINC001191521142 1100477386 /nfs/dbraw/zinc/47/73/86/1100477386.db2.gz MYLPGIIZIGWXQJ-KURKYZTESA-N 2 1 306.494 3.142 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238651897 1100491698 /nfs/dbraw/zinc/49/16/98/1100491698.db2.gz AJVLAQYTBIBQLB-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2CCCc3ccccc32)[C@H](C)C1 ZINC001191600193 1100493682 /nfs/dbraw/zinc/49/36/82/1100493682.db2.gz CMJIMXRTULROKR-IEBWSBKVSA-N 2 1 315.505 3.101 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2CCCc3ccccc32)[C@H](C)C1 ZINC001191600193 1100493683 /nfs/dbraw/zinc/49/36/83/1100493683.db2.gz CMJIMXRTULROKR-IEBWSBKVSA-N 2 1 315.505 3.101 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@H]2C1 ZINC001238690644 1100502941 /nfs/dbraw/zinc/50/29/41/1100502941.db2.gz QIUCLYAJFGSDHQ-IAGOWNOFSA-N 2 1 304.503 3.491 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cnc1OC(C)C ZINC001278270537 1100510620 /nfs/dbraw/zinc/51/06/20/1100510620.db2.gz HNOKOWNNYKXOJQ-UHFFFAOYSA-N 2 1 317.477 3.095 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC)cc3C)C[C@@H]2C1 ZINC001203758203 1100619347 /nfs/dbraw/zinc/61/93/47/1100619347.db2.gz LHUFGSMJQDTBJL-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC)cc3C)C[C@@H]2C1 ZINC001203758203 1100619349 /nfs/dbraw/zinc/61/93/49/1100619349.db2.gz LHUFGSMJQDTBJL-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(OC)cc3C)C[C@@H]2C1 ZINC001203758203 1100619351 /nfs/dbraw/zinc/61/93/51/1100619351.db2.gz LHUFGSMJQDTBJL-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(OC)cc3C)C[C@@H]2C1 ZINC001203758203 1100619354 /nfs/dbraw/zinc/61/93/54/1100619354.db2.gz LHUFGSMJQDTBJL-HDICACEKSA-N 2 1 302.462 3.086 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(OC)cc3C)C[C@@H]2C1 ZINC001203758209 1100619502 /nfs/dbraw/zinc/61/95/02/1100619502.db2.gz LHUFGSMJQDTBJL-ROUUACIJSA-N 2 1 302.462 3.086 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2sc(Cl)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205626768 1100719483 /nfs/dbraw/zinc/71/94/83/1100719483.db2.gz IXWUCBZKCILQOV-RKDXNWHRSA-N 2 1 308.278 3.257 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2sc(Cl)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205626768 1100719487 /nfs/dbraw/zinc/71/94/87/1100719487.db2.gz IXWUCBZKCILQOV-RKDXNWHRSA-N 2 1 308.278 3.257 20 0 DGADMP FC(F)(F)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cn1 ZINC001240268206 1100916383 /nfs/dbraw/zinc/91/63/83/1100916383.db2.gz ZIZWAZJFAXPQSE-UHFFFAOYSA-N 2 1 318.302 3.102 20 0 DGADMP Cc1[nH+]c(-c2cccc(C[NH+]3CCN(C)CC3)c2)cc2[nH]ccc21 ZINC001240287355 1100925195 /nfs/dbraw/zinc/92/51/95/1100925195.db2.gz GLTHNDIQICOFQZ-UHFFFAOYSA-N 2 1 320.440 3.286 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001240402444 1100979900 /nfs/dbraw/zinc/97/99/00/1100979900.db2.gz LIOFEVYSZHNIHO-UHFFFAOYSA-N 2 1 323.484 3.163 20 0 DGADMP [NH3+]C1(c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC001240476031 1101013113 /nfs/dbraw/zinc/01/31/13/1101013113.db2.gz CCRXWOXTMIIEPN-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP c1cc(-c2ccc([C@H]3CC[NH2+]C3)cc2)ccc1C[NH+]1CCOCC1 ZINC001240477011 1101013477 /nfs/dbraw/zinc/01/34/77/1101013477.db2.gz IFKZKRRTFBGJPR-NRFANRHFSA-N 2 1 322.452 3.263 20 0 DGADMP c1cc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc2c1C[NH2+]C2 ZINC001240861848 1101162836 /nfs/dbraw/zinc/16/28/36/1101162836.db2.gz SPJCUYNYPPVSDS-UHFFFAOYSA-N 2 1 320.436 3.278 20 0 DGADMP Fc1cc(F)c(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241095050 1101252523 /nfs/dbraw/zinc/25/25/23/1101252523.db2.gz NJIOVAZNUMTHJM-UHFFFAOYSA-N 2 1 303.287 3.105 20 0 DGADMP CC(=O)c1ccccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001241208040 1101296691 /nfs/dbraw/zinc/29/66/91/1101296691.db2.gz DRACOTFCWDUFLP-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP C[N@@H+]1CC=C(c2ccc3ncn([C@@H]4CCC[NH2+]CC4)c3c2)CC1 ZINC001241320276 1101376109 /nfs/dbraw/zinc/37/61/09/1101376109.db2.gz ZZLMVXHAFXACAR-QGZVFWFLSA-N 2 1 310.445 3.070 20 0 DGADMP CCc1cccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)c1 ZINC001196782413 1101399209 /nfs/dbraw/zinc/39/92/09/1101399209.db2.gz PZBJELYEYGQCLY-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001196781705 1101400032 /nfs/dbraw/zinc/40/00/32/1101400032.db2.gz GJSPHQAVZWUSBQ-UXHICEINSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001196781705 1101400039 /nfs/dbraw/zinc/40/00/39/1101400039.db2.gz GJSPHQAVZWUSBQ-UXHICEINSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001196781705 1101400046 /nfs/dbraw/zinc/40/00/46/1101400046.db2.gz GJSPHQAVZWUSBQ-UXHICEINSA-N 2 1 324.468 3.492 20 0 DGADMP Nc1[nH]c2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC001241505439 1101519752 /nfs/dbraw/zinc/51/97/52/1101519752.db2.gz UAFSYYVFCVEFKW-UHFFFAOYSA-N 2 1 304.397 3.434 20 0 DGADMP Nc1[nH]c2cc(C3=CC[N@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001241505439 1101519762 /nfs/dbraw/zinc/51/97/62/1101519762.db2.gz UAFSYYVFCVEFKW-UHFFFAOYSA-N 2 1 304.397 3.434 20 0 DGADMP Nc1[nH]c2cc(C3=CC[N@@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001241505439 1101519771 /nfs/dbraw/zinc/51/97/71/1101519771.db2.gz UAFSYYVFCVEFKW-UHFFFAOYSA-N 2 1 304.397 3.434 20 0 DGADMP COc1ccc(C2=CCC[N@@H+](C)C2)cc1C[NH+]1CCCCC1 ZINC001241572118 1101554158 /nfs/dbraw/zinc/55/41/58/1101554158.db2.gz QOKZBWFLEUOQDX-UHFFFAOYSA-N 2 1 300.446 3.400 20 0 DGADMP CC[NH+](CC)Cc1ccc(-c2cncc(-n3cc[nH+]c3C)n2)cc1 ZINC001241575217 1101555544 /nfs/dbraw/zinc/55/55/44/1101555544.db2.gz ATKMWLYAXALPBC-UHFFFAOYSA-N 2 1 321.428 3.480 20 0 DGADMP COc1cccc2[nH]c(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc21 ZINC001241998588 1101846871 /nfs/dbraw/zinc/84/68/71/1101846871.db2.gz YBCVZWRNGQHAKK-UHFFFAOYSA-N 2 1 318.380 3.178 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc2c1 ZINC001242090686 1101904683 /nfs/dbraw/zinc/90/46/83/1101904683.db2.gz QYEJMZXVXACAKH-JCGVRSQUSA-N 2 1 319.412 3.329 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c2c1 ZINC001242090686 1101904689 /nfs/dbraw/zinc/90/46/89/1101904689.db2.gz QYEJMZXVXACAKH-JCGVRSQUSA-N 2 1 319.412 3.329 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc3c(c2)CCC3=O)CC1 ZINC001242157420 1101949088 /nfs/dbraw/zinc/94/90/88/1101949088.db2.gz OTKPJRZLTUASHM-UHFFFAOYSA-N 2 1 320.436 3.406 20 0 DGADMP FC(F)(F)c1ccncc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242277037 1102021618 /nfs/dbraw/zinc/02/16/18/1102021618.db2.gz AAPPCKQALYLKIO-UHFFFAOYSA-N 2 1 318.302 3.102 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC001199237553 1102089489 /nfs/dbraw/zinc/08/94/89/1102089489.db2.gz DMMHKFDPXPUPCJ-UHFFFAOYSA-N 2 1 318.486 3.473 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001199841762 1102222207 /nfs/dbraw/zinc/22/22/07/1102222207.db2.gz CXFJBHLEYJGLSW-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC001199841762 1102222218 /nfs/dbraw/zinc/22/22/18/1102222218.db2.gz CXFJBHLEYJGLSW-CYBMUJFWSA-N 2 1 308.853 3.096 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001201118859 1102490824 /nfs/dbraw/zinc/49/08/24/1102490824.db2.gz VUPLGZSHGOHDPZ-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912869 1102500465 /nfs/dbraw/zinc/50/04/65/1102500465.db2.gz DGXGAKVZTVQAHA-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912869 1102500470 /nfs/dbraw/zinc/50/04/70/1102500470.db2.gz DGXGAKVZTVQAHA-QWRGUYRKSA-N 2 1 320.330 3.284 20 0 DGADMP CC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201434754 1102599107 /nfs/dbraw/zinc/59/91/07/1102599107.db2.gz CHRLUUNOGAQQMC-UHFFFAOYSA-N 2 1 301.478 3.416 20 0 DGADMP CC(C)=CCC[C@@H](C)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201488129 1102610072 /nfs/dbraw/zinc/61/00/72/1102610072.db2.gz VWICYMHOWXCVPZ-MRXNPFEDSA-N 2 1 307.482 3.499 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923845 1102663907 /nfs/dbraw/zinc/66/39/07/1102663907.db2.gz PDSFVIGOZCNQJI-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923845 1102663912 /nfs/dbraw/zinc/66/39/12/1102663912.db2.gz PDSFVIGOZCNQJI-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201543651 1102631604 /nfs/dbraw/zinc/63/16/04/1102631604.db2.gz JBKUCEPNWYRATP-JYJNAYRXSA-N 2 1 307.507 3.476 20 0 DGADMP CC(C)CC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201617643 1102672862 /nfs/dbraw/zinc/67/28/62/1102672862.db2.gz MXCAWUYLNVXBRC-QGZVFWFLSA-N 2 1 320.477 3.381 20 0 DGADMP Cc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(OC(C)C)c1 ZINC001243430653 1102717556 /nfs/dbraw/zinc/71/75/56/1102717556.db2.gz FBCACNVKOPAVGU-UHFFFAOYSA-N 2 1 311.429 3.254 20 0 DGADMP CCCn1cncc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001201858046 1102738084 /nfs/dbraw/zinc/73/80/84/1102738084.db2.gz ZABGDAUZKVVJQG-UHFFFAOYSA-N 2 1 304.482 3.037 20 0 DGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CC2CC2)CC3)c1 ZINC001201917774 1102760411 /nfs/dbraw/zinc/76/04/11/1102760411.db2.gz DHETZIGNIFSSHI-UHFFFAOYSA-N 2 1 314.473 3.393 20 0 DGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001201918379 1102761551 /nfs/dbraw/zinc/76/15/51/1102761551.db2.gz LPUNRQJUPRFBSB-UHFFFAOYSA-N 2 1 314.473 3.072 20 0 DGADMP CC(C)n1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC001201946462 1102767835 /nfs/dbraw/zinc/76/78/35/1102767835.db2.gz DOCXSTDIXSWJOU-DOTOQJQBSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC001201946462 1102767843 /nfs/dbraw/zinc/76/78/43/1102767843.db2.gz DOCXSTDIXSWJOU-DOTOQJQBSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001202077553 1102836773 /nfs/dbraw/zinc/83/67/73/1102836773.db2.gz IZPPLQVZVXHKDL-GJZGRUSLSA-N 2 1 307.507 3.476 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257854821 1103090318 /nfs/dbraw/zinc/09/03/18/1103090318.db2.gz KOZDIBVPFKGFNO-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC001325720142 1103110219 /nfs/dbraw/zinc/11/02/19/1103110219.db2.gz CCNOFXKDBFMPJQ-MFKMUULPSA-N 2 1 301.356 3.065 20 0 DGADMP c1cc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1OCC2 ZINC001326236432 1103242270 /nfs/dbraw/zinc/24/22/70/1103242270.db2.gz ITGNGFLBKPLEOZ-UHFFFAOYSA-N 2 1 314.473 3.020 20 0 DGADMP Clc1cccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326277898 1103253549 /nfs/dbraw/zinc/25/35/49/1103253549.db2.gz PBUVXZSLTDWONN-UHFFFAOYSA-N 2 1 308.853 3.184 20 0 DGADMP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000689072878 1103285187 /nfs/dbraw/zinc/28/51/87/1103285187.db2.gz VSKGZNSZRWSMBP-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP CCCCC[C@H](CC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258447261 1103335672 /nfs/dbraw/zinc/33/56/72/1103335672.db2.gz YHVBCNUHHKZDMY-INIZCTEOSA-N 2 1 300.487 3.162 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCCC1 ZINC001326518534 1103351511 /nfs/dbraw/zinc/35/15/11/1103351511.db2.gz IAMKEWYNXSFEJO-UHFFFAOYSA-N 2 1 303.494 3.354 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCCC1 ZINC001326518534 1103351523 /nfs/dbraw/zinc/35/15/23/1103351523.db2.gz IAMKEWYNXSFEJO-UHFFFAOYSA-N 2 1 303.494 3.354 20 0 DGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001276327478 1103499190 /nfs/dbraw/zinc/49/91/90/1103499190.db2.gz XAVAZXTTZDTIDW-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP O=c1[nH]cccc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276328144 1103500340 /nfs/dbraw/zinc/50/03/40/1103500340.db2.gz IXYVQHMWTVDLAW-UHFFFAOYSA-N 2 1 315.461 3.018 20 0 DGADMP Cc1cnc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001276356188 1103530969 /nfs/dbraw/zinc/53/09/69/1103530969.db2.gz JEEWWQBJUAQTOL-UHFFFAOYSA-N 2 1 314.477 3.016 20 0 DGADMP Clc1ccnc(Cl)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244938603 1103771516 /nfs/dbraw/zinc/77/15/16/1103771516.db2.gz NHWLPLIUHVADLP-UHFFFAOYSA-N 2 1 319.195 3.390 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001206564458 1103810829 /nfs/dbraw/zinc/81/08/29/1103810829.db2.gz ODDGBFSGUCSHKZ-HNNXBMFYSA-N 2 1 316.367 3.362 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001206564458 1103810834 /nfs/dbraw/zinc/81/08/34/1103810834.db2.gz ODDGBFSGUCSHKZ-HNNXBMFYSA-N 2 1 316.367 3.362 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328286484 1103905095 /nfs/dbraw/zinc/90/50/95/1103905095.db2.gz UTGCJIMWGHPYIG-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1noc2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc12 ZINC001245281623 1103959969 /nfs/dbraw/zinc/95/99/69/1103959969.db2.gz WVRWKPLXEUBTBJ-UHFFFAOYSA-N 2 1 304.353 3.138 20 0 DGADMP CCOC(=[NH2+])c1ccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245426220 1104047781 /nfs/dbraw/zinc/04/77/81/1104047781.db2.gz HWPCWTKGGMZYQR-GOSISDBHSA-N 2 1 314.429 3.317 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202598280 1104070789 /nfs/dbraw/zinc/07/07/89/1104070789.db2.gz IKFNLUPTTZEFIJ-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202598280 1104070798 /nfs/dbraw/zinc/07/07/98/1104070798.db2.gz IKFNLUPTTZEFIJ-UHFFFAOYSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC001329022659 1104127369 /nfs/dbraw/zinc/12/73/69/1104127369.db2.gz HBVOJCFEUCPTAS-NXEZZACHSA-N 2 1 303.219 3.237 20 0 DGADMP O[C@@H](C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246026039 1104354575 /nfs/dbraw/zinc/35/45/75/1104354575.db2.gz CUFMUNNYHGPVNN-OALUTQOASA-N 2 1 320.452 3.105 20 0 DGADMP C[C@](O)(C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)c1ccccc1 ZINC001246049898 1104357477 /nfs/dbraw/zinc/35/74/77/1104357477.db2.gz CZZAKWMMGLAANI-XLIONFOSSA-N 2 1 316.489 3.138 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001329674345 1104363872 /nfs/dbraw/zinc/36/38/72/1104363872.db2.gz BWCAXTJKBPQNFO-HNNXBMFYSA-N 2 1 300.450 3.261 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246070742 1104364199 /nfs/dbraw/zinc/36/41/99/1104364199.db2.gz UYMRGEJSOOVXEL-IBGZPJMESA-N 2 1 322.468 3.239 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246068813 1104365115 /nfs/dbraw/zinc/36/51/15/1104365115.db2.gz KUUIVVOAWZGXOV-SFHVURJKSA-N 2 1 324.896 3.445 20 0 DGADMP Fc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246074473 1104366631 /nfs/dbraw/zinc/36/66/31/1104366631.db2.gz PPTPANBJFHMAQY-RBUKOAKNSA-N 2 1 316.395 3.418 20 0 DGADMP CC(C)(C)[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073557 1104367478 /nfs/dbraw/zinc/36/74/78/1104367478.db2.gz GZCPMAVHLVGNCM-GUDVDZBRSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246073557 1104367483 /nfs/dbraw/zinc/36/74/83/1104367483.db2.gz GZCPMAVHLVGNCM-GUDVDZBRSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@H]1CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246073805 1104368434 /nfs/dbraw/zinc/36/84/34/1104368434.db2.gz KEZGDXVIJYTIKR-GBESFXJTSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@H]1CC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246073805 1104368444 /nfs/dbraw/zinc/36/84/44/1104368444.db2.gz KEZGDXVIJYTIKR-GBESFXJTSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@H]1CC([NH2+]Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246075552 1104368764 /nfs/dbraw/zinc/36/87/64/1104368764.db2.gz VROGBYWWRWLBHV-GJZGRUSLSA-N 2 1 306.450 3.103 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC001246074866 1104368959 /nfs/dbraw/zinc/36/89/59/1104368959.db2.gz FISWUVYFRYSQSK-KGLIPLIRSA-N 2 1 315.230 3.208 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC001246074855 1104369583 /nfs/dbraw/zinc/36/95/83/1104369583.db2.gz RAUKKDWOEBTMMG-HOTGVXAUSA-N 2 1 306.450 3.104 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)CC[NH2+]1 ZINC001246077869 1104372165 /nfs/dbraw/zinc/37/21/65/1104372165.db2.gz XEIFBGMINHSDND-DGCLKSJQSA-N 2 1 317.296 3.377 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246080843 1104374036 /nfs/dbraw/zinc/37/40/36/1104374036.db2.gz PEYMJVPHPUFHPY-PMACEKPBSA-N 2 1 317.521 3.239 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246098813 1104383890 /nfs/dbraw/zinc/38/38/90/1104383890.db2.gz SZFRBJDHJDPXAD-ZXIHIIQKSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[NH2+]C1 ZINC001246115158 1104391454 /nfs/dbraw/zinc/39/14/54/1104391454.db2.gz REICHIORCRVTLD-MISYRCLQSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157951 1104410167 /nfs/dbraw/zinc/41/01/67/1104410167.db2.gz CWVMNFGDAYICJV-FHLIZLRMSA-N 2 1 322.880 3.162 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162428 1104411725 /nfs/dbraw/zinc/41/17/25/1104411725.db2.gz YAOQQLXZWFXHBL-BMGDILEWSA-N 2 1 322.880 3.162 20 0 DGADMP CC1CCN(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246160858 1104411986 /nfs/dbraw/zinc/41/19/86/1104411986.db2.gz HMBSDOGEEHLBJO-UHFFFAOYSA-N 2 1 307.526 3.010 20 0 DGADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246163216 1104412367 /nfs/dbraw/zinc/41/23/67/1104412367.db2.gz YBDYHRSDUOCLDQ-VQTJNVASSA-N 2 1 317.521 3.061 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC001246164577 1104413925 /nfs/dbraw/zinc/41/39/25/1104413925.db2.gz XGNJGTRVORGYTJ-FZMZJTMJSA-N 2 1 300.368 3.360 20 0 DGADMP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC001246167995 1104414666 /nfs/dbraw/zinc/41/46/66/1104414666.db2.gz HPWPINDYQKLTSA-KBPBESRZSA-N 2 1 323.278 3.038 20 0 DGADMP CC1(C)C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246175226 1104420403 /nfs/dbraw/zinc/42/04/03/1104420403.db2.gz IQMOPEBOPWXNIW-IPMKNSEASA-N 2 1 315.505 3.289 20 0 DGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246177795 1104422960 /nfs/dbraw/zinc/42/29/60/1104422960.db2.gz KCQZNENJIYSIGC-INIZCTEOSA-N 2 1 318.461 3.262 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCCCCC2)CC[NH2+]1 ZINC001246178984 1104424681 /nfs/dbraw/zinc/42/46/81/1104424681.db2.gz BWJAJCVRMBVUSV-WMZOPIPTSA-N 2 1 301.478 3.297 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246182212 1104425784 /nfs/dbraw/zinc/42/57/84/1104425784.db2.gz YWIJONYOMVCFNZ-JSGCOSHPSA-N 2 1 316.367 3.248 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(F)CCCNC1 ZINC001246184884 1104427857 /nfs/dbraw/zinc/42/78/57/1104427857.db2.gz VVNQTFSFPJFFTL-XHDPSFHLSA-N 2 1 302.796 3.091 20 0 DGADMP CC1(C)C[C@@H](N[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246187337 1104428484 /nfs/dbraw/zinc/42/84/84/1104428484.db2.gz GRIHCJUCTYYXHC-ICSRJNTNSA-N 2 1 315.505 3.161 20 0 DGADMP CCC[C@@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246192745 1104431375 /nfs/dbraw/zinc/43/13/75/1104431375.db2.gz YGWGHKVJRYDOSI-MSOLQXFVSA-N 2 1 320.477 3.396 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191686 1104432339 /nfs/dbraw/zinc/43/23/39/1104432339.db2.gz XETSJFSLIQXWAY-WFASDCNBSA-N 2 1 316.367 3.248 20 0 DGADMP CC1(C)C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246203651 1104435795 /nfs/dbraw/zinc/43/57/95/1104435795.db2.gz CKOAJBABLUZSQG-QRVBRYPASA-N 2 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001246203651 1104435800 /nfs/dbraw/zinc/43/58/00/1104435800.db2.gz CKOAJBABLUZSQG-QRVBRYPASA-N 3 1 315.505 3.289 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246203651 1104435803 /nfs/dbraw/zinc/43/58/03/1104435803.db2.gz CKOAJBABLUZSQG-QRVBRYPASA-N 3 1 315.505 3.289 20 0 DGADMP C[C@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246208013 1104437016 /nfs/dbraw/zinc/43/70/16/1104437016.db2.gz ZUIOQEKUVHDEIA-RNIPGJKVSA-N 3 1 315.505 3.288 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246208112 1104437422 /nfs/dbraw/zinc/43/74/22/1104437422.db2.gz CKCWOLJUAREDAZ-MYZZLAAOSA-N 3 1 319.468 3.034 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC[NH2+]CC1(F)F ZINC001246219262 1104442226 /nfs/dbraw/zinc/44/22/26/1104442226.db2.gz GSKTXVBIGWUDPO-WFASDCNBSA-N 2 1 314.807 3.032 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2c(OC)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246220033 1104443632 /nfs/dbraw/zinc/44/36/32/1104443632.db2.gz ITWGWHHYNPVCOH-RYUDHWBXSA-N 2 1 316.367 3.334 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC001246223091 1104445102 /nfs/dbraw/zinc/44/51/02/1104445102.db2.gz VCAVBQFZXVVINW-RYUDHWBXSA-N 2 1 320.330 3.345 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246222870 1104445120 /nfs/dbraw/zinc/44/51/20/1104445120.db2.gz SJYTZKNYPRMHQZ-LLVKDONJSA-N 2 1 316.367 3.334 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246226164 1104446667 /nfs/dbraw/zinc/44/66/67/1104446667.db2.gz FUFYBRGSFDGYPP-OLZOCXBDSA-N 2 1 314.807 3.032 20 0 DGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246235568 1104450696 /nfs/dbraw/zinc/45/06/96/1104450696.db2.gz YUWLWPXPTNGEGU-KGLIPLIRSA-N 2 1 314.445 3.310 20 0 DGADMP Fc1ccc(Oc2ccccc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246255573 1104461092 /nfs/dbraw/zinc/46/10/92/1104461092.db2.gz LKZAJMVZVPLFNZ-UHFFFAOYSA-N 2 1 300.377 3.460 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001246259762 1104462776 /nfs/dbraw/zinc/46/27/76/1104462776.db2.gz PWEYQUIINNIVJF-IUODEOHRSA-N 2 1 300.368 3.368 20 0 DGADMP CCC[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C(=O)OC(C)(C)C ZINC001246291764 1104475093 /nfs/dbraw/zinc/47/50/93/1104475093.db2.gz IGXVNWSUOFBUOP-INIZCTEOSA-N 2 1 324.509 3.399 20 0 DGADMP CCC1CCC(C2CCC([NH2+][C@@]3(CO)CC[NH2+]C3)CC2)CC1 ZINC001246286970 1104475520 /nfs/dbraw/zinc/47/55/20/1104475520.db2.gz ITKUEFNHTLGKSS-VEGHNBABSA-N 2 1 308.510 3.076 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246294812 1104477091 /nfs/dbraw/zinc/47/70/91/1104477091.db2.gz NDZNZCVBLAKAJC-FZMZJTMJSA-N 2 1 309.251 3.168 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246310151 1104482475 /nfs/dbraw/zinc/48/24/75/1104482475.db2.gz MWXNIHJQSZWQPE-HNJRGHQBSA-N 2 1 317.521 3.391 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)CC[NH2+]1 ZINC001246316022 1104485608 /nfs/dbraw/zinc/48/56/08/1104485608.db2.gz OCDRHUYZHZEWMS-VKJFTORMSA-N 2 1 318.461 3.419 20 0 DGADMP CCCCCC1CCC([NH2+][C@@H](C(=O)OC)C2CC[NH2+]CC2)CC1 ZINC001246325493 1104488735 /nfs/dbraw/zinc/48/87/35/1104488735.db2.gz AKZRIGDOABBUQU-VMWRSERWSA-N 2 1 324.509 3.256 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C[NH2+]1 ZINC001246326428 1104491200 /nfs/dbraw/zinc/49/12/00/1104491200.db2.gz UUSWJBVCOLZSQH-QAPCUYQASA-N 2 1 306.453 3.257 20 0 DGADMP c1cnc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c2c1 ZINC001330181495 1104499752 /nfs/dbraw/zinc/49/97/52/1104499752.db2.gz AJDITGYXERXGTQ-KRWDZBQOSA-N 2 1 309.457 3.446 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(C(=O)OCC)cs2)CC[NH2+]1 ZINC001246344809 1104501413 /nfs/dbraw/zinc/50/14/13/1104501413.db2.gz IDCFNWJGPKEWDH-CABCVRRESA-N 2 1 324.490 3.325 20 0 DGADMP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246349766 1104502591 /nfs/dbraw/zinc/50/25/91/1104502591.db2.gz CCADBIHCPJULRD-SQGPQFPESA-N 2 1 307.441 3.106 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246352615 1104503694 /nfs/dbraw/zinc/50/36/94/1104503694.db2.gz XTDLTROTQIOQTL-YOEHRIQHSA-N 2 1 322.880 3.118 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246364196 1104509499 /nfs/dbraw/zinc/50/94/99/1104509499.db2.gz UNXKKISUAULMLL-BJLQDIEVSA-N 2 1 315.505 3.332 20 0 DGADMP Clc1ccccc1C1(C[NH2+][C@H]2CCCC[NH2+]C2)CCOCC1 ZINC001246394123 1104523648 /nfs/dbraw/zinc/52/36/48/1104523648.db2.gz QZCSKBKVGQCAEH-HNNXBMFYSA-N 2 1 322.880 3.120 20 0 DGADMP CC[C@@H]1C[C@H](N[C@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246395061 1104523770 /nfs/dbraw/zinc/52/37/70/1104523770.db2.gz MMFYZKINJXTPEW-VAMGGRTRSA-N 2 1 315.505 3.238 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246402250 1104528082 /nfs/dbraw/zinc/52/80/82/1104528082.db2.gz TZNYYHCBQZMTDT-SZMVWBNQSA-N 2 1 318.461 3.006 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246415764 1104533408 /nfs/dbraw/zinc/53/34/08/1104533408.db2.gz ZOWOYQAMWJSVIN-ZWKOTPCHSA-N 2 1 304.478 3.145 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246440835 1104540364 /nfs/dbraw/zinc/54/03/64/1104540364.db2.gz FJIDJBHNTWPDJE-GUDVDZBRSA-N 3 1 319.468 3.040 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246440835 1104540371 /nfs/dbraw/zinc/54/03/71/1104540371.db2.gz FJIDJBHNTWPDJE-GUDVDZBRSA-N 3 1 319.468 3.040 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246444588 1104542217 /nfs/dbraw/zinc/54/22/17/1104542217.db2.gz XYMREYCQDVBLIR-ZTFGCOKTSA-N 3 1 323.912 3.410 20 0 DGADMP CCCC[C@H]1C[C@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246446036 1104542611 /nfs/dbraw/zinc/54/26/11/1104542611.db2.gz JZGREODNLGKXSS-ZWKOTPCHSA-N 3 1 307.526 3.199 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246448175 1104544039 /nfs/dbraw/zinc/54/40/39/1104544039.db2.gz RRVSZZDSTRFJSP-AFYVEPGGSA-N 3 1 315.505 3.207 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246453434 1104544375 /nfs/dbraw/zinc/54/43/75/1104544375.db2.gz OCHDJMRSONFJBG-ZDUSSCGKSA-N 2 1 313.283 3.358 20 0 DGADMP CCC[C@@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC001246456974 1104545308 /nfs/dbraw/zinc/54/53/08/1104545308.db2.gz QJIFKFNTWOBZKN-RLLQIKCJSA-N 2 1 315.505 3.161 20 0 DGADMP COCCC[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001274937098 1104547104 /nfs/dbraw/zinc/54/71/04/1104547104.db2.gz POVYIRNMRADPPJ-UHFFFAOYSA-N 2 1 322.415 3.153 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CCOCC2)c2ccccc2F)CC[NH2+]1 ZINC001246459825 1104547351 /nfs/dbraw/zinc/54/73/51/1104547351.db2.gz SRRUSNLXFXDIFF-OGWOLHLISA-N 2 1 320.452 3.414 20 0 DGADMP COCCC[N@@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001274936304 1104548421 /nfs/dbraw/zinc/54/84/21/1104548421.db2.gz FUXBMSFUWZROOG-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP COCCC[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001274936304 1104548431 /nfs/dbraw/zinc/54/84/31/1104548431.db2.gz FUXBMSFUWZROOG-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP COCCC[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001274936304 1104548438 /nfs/dbraw/zinc/54/84/38/1104548438.db2.gz FUXBMSFUWZROOG-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP COCCC[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001274936304 1104548446 /nfs/dbraw/zinc/54/84/46/1104548446.db2.gz FUXBMSFUWZROOG-HNNXBMFYSA-N 2 1 322.415 3.153 20 0 DGADMP CCOC(C)(C)C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001274943632 1104550308 /nfs/dbraw/zinc/55/03/08/1104550308.db2.gz XJJHIXSAOIVMQP-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001246480005 1104559683 /nfs/dbraw/zinc/55/96/83/1104559683.db2.gz XMJXFYIIISFCNX-GUYJKWIASA-N 2 1 308.878 3.184 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001246484989 1104560764 /nfs/dbraw/zinc/56/07/64/1104560764.db2.gz GDXBKBKOOLREGX-CHWSQXEVSA-N 2 1 314.807 3.032 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@@H]3C[NH2+]C[C@H]4C[C@H]43)ccc2c1 ZINC001246501171 1104566235 /nfs/dbraw/zinc/56/62/35/1104566235.db2.gz AQDOYFVLHUCOGL-FEHMIHBQSA-N 2 1 324.468 3.367 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001246499094 1104567010 /nfs/dbraw/zinc/56/70/10/1104567010.db2.gz SGEBFVBRWDMLCV-VROUVPMXSA-N 2 1 315.505 3.016 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)C[C@@H]1C ZINC001246498223 1104567209 /nfs/dbraw/zinc/56/72/09/1104567209.db2.gz GZXPRNGRQGWVFV-QXSJWSMHSA-N 2 1 312.498 3.240 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@@H]3C[NH2+]C[C@@H]4C[C@@H]43)ccc2c1 ZINC001246501173 1104567300 /nfs/dbraw/zinc/56/73/00/1104567300.db2.gz AQDOYFVLHUCOGL-VUBIOCNBSA-N 2 1 324.468 3.367 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H]3C[C@@H]31)C2 ZINC001246504458 1104568165 /nfs/dbraw/zinc/56/81/65/1104568165.db2.gz RDXWZXKHSGOHGH-YLUJIRGKSA-N 2 1 311.256 3.048 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246502364 1104569139 /nfs/dbraw/zinc/56/91/39/1104569139.db2.gz VLVIZVBBWPETIZ-ULQDDVLXSA-N 2 1 310.869 3.274 20 0 DGADMP COc1cccc([C@@H](C[NH3+])N[C@@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508851 1104570425 /nfs/dbraw/zinc/57/04/25/1104570425.db2.gz FIXSGKQPXBZJLY-UYAOXDASSA-N 2 1 310.441 3.151 20 0 DGADMP CC[C@@H]1CC([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246508766 1104570908 /nfs/dbraw/zinc/57/09/08/1104570908.db2.gz CGAKFLQZJYAMMX-BRWVUGGUSA-N 3 1 307.526 3.340 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C[NH2+]1 ZINC001246515853 1104573767 /nfs/dbraw/zinc/57/37/67/1104573767.db2.gz UOMCQACQKXZGOK-LAUBAEHRSA-N 2 1 308.469 3.354 20 0 DGADMP c1ccc(CCc2ccc(CC[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246516880 1104573922 /nfs/dbraw/zinc/57/39/22/1104573922.db2.gz XUIRHQOXSWWBOW-NRFANRHFSA-N 2 1 308.469 3.356 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246521750 1104575250 /nfs/dbraw/zinc/57/52/50/1104575250.db2.gz DYBHGJQGMSVFQP-INIZCTEOSA-N 2 1 302.437 3.149 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246522039 1104575506 /nfs/dbraw/zinc/57/55/06/1104575506.db2.gz HMUZZOWCTNJPRZ-SFHVURJKSA-N 2 1 302.437 3.149 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+](C2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001246535327 1104582422 /nfs/dbraw/zinc/58/24/22/1104582422.db2.gz XMXFKKUEHYOGDP-GJZGRUSLSA-N 2 1 321.896 3.299 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537494 1104582583 /nfs/dbraw/zinc/58/25/83/1104582583.db2.gz CSDSQNZECSEBKG-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537494 1104582590 /nfs/dbraw/zinc/58/25/90/1104582590.db2.gz CSDSQNZECSEBKG-DOMZBBRYSA-N 2 1 300.368 3.450 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246539792 1104583625 /nfs/dbraw/zinc/58/36/25/1104583625.db2.gz SGTDFTVWKHKBCI-IBGZPJMESA-N 3 1 315.505 3.100 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246539792 1104583631 /nfs/dbraw/zinc/58/36/31/1104583631.db2.gz SGTDFTVWKHKBCI-IBGZPJMESA-N 2 1 315.505 3.100 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C[C@H]1C[NH3+] ZINC001246542526 1104585375 /nfs/dbraw/zinc/58/53/75/1104585375.db2.gz QCMITUXBWJOYBD-ZKYQVNSYSA-N 2 1 313.272 3.377 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246546457 1104587723 /nfs/dbraw/zinc/58/77/23/1104587723.db2.gz GNJWLWUFMQPUHX-YOEHRIQHSA-N 2 1 310.844 3.350 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246546455 1104587887 /nfs/dbraw/zinc/58/78/87/1104587887.db2.gz GNJWLWUFMQPUHX-WMLDXEAASA-N 2 1 310.844 3.350 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001246547404 1104588468 /nfs/dbraw/zinc/58/84/68/1104588468.db2.gz CVYSSQMMUATYTB-HOTGVXAUSA-N 2 1 323.278 3.120 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548938 1104588557 /nfs/dbraw/zinc/58/85/57/1104588557.db2.gz LDSOWVNNRZZYIQ-CZUORRHYSA-N 2 1 314.445 3.459 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549529 1104590393 /nfs/dbraw/zinc/59/03/93/1104590393.db2.gz LDEYKZOAZQYVQJ-ROUUACIJSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549529 1104590396 /nfs/dbraw/zinc/59/03/96/1104590396.db2.gz LDEYKZOAZQYVQJ-ROUUACIJSA-N 2 1 302.462 3.364 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246553566 1104593095 /nfs/dbraw/zinc/59/30/95/1104593095.db2.gz BKTPZLBUFOAPGA-MISYRCLQSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001246553563 1104593302 /nfs/dbraw/zinc/59/33/02/1104593302.db2.gz BKTPZLBUFOAPGA-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1(F)F ZINC001246554983 1104593484 /nfs/dbraw/zinc/59/34/84/1104593484.db2.gz AGQPSUWDUDXMSN-GMTAPVOTSA-N 2 1 300.315 3.023 20 0 DGADMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](CC(C)(C)C)C[C@H]2CC1 ZINC001275050743 1104594538 /nfs/dbraw/zinc/59/45/38/1104594538.db2.gz IWKVXZJXKTUNEP-CALCHBBNSA-N 2 1 318.509 3.093 20 0 DGADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](CC(C)(C)C)C[C@H]2CC1 ZINC001275050743 1104594547 /nfs/dbraw/zinc/59/45/47/1104594547.db2.gz IWKVXZJXKTUNEP-CALCHBBNSA-N 2 1 318.509 3.093 20 0 DGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](CC(C)(C)C)C[C@H]2CC1 ZINC001275050743 1104594556 /nfs/dbraw/zinc/59/45/56/1104594556.db2.gz IWKVXZJXKTUNEP-CALCHBBNSA-N 2 1 318.509 3.093 20 0 DGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](CC(C)(C)C)C[C@H]2CC1 ZINC001275050743 1104594565 /nfs/dbraw/zinc/59/45/65/1104594565.db2.gz IWKVXZJXKTUNEP-CALCHBBNSA-N 2 1 318.509 3.093 20 0 DGADMP CCC1CCC(C2CCC([N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2)CC1 ZINC001246558752 1104595106 /nfs/dbraw/zinc/59/51/06/1104595106.db2.gz NMGARBUWXDZJIU-XRKHFAFPSA-N 2 1 308.510 3.156 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246564182 1104597785 /nfs/dbraw/zinc/59/77/85/1104597785.db2.gz WLAFSOMWNKKJNF-NWDGAFQWSA-N 2 1 318.408 3.222 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246564182 1104597793 /nfs/dbraw/zinc/59/77/93/1104597793.db2.gz WLAFSOMWNKKJNF-NWDGAFQWSA-N 2 1 318.408 3.222 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@H](C[NH3+])[C@H]1C)CC2 ZINC001246564357 1104598598 /nfs/dbraw/zinc/59/85/98/1104598598.db2.gz NBJPLARERCOTDL-MGPQQGTHSA-N 2 1 322.880 3.265 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CN1Cc1ccccc1 ZINC001246572045 1104599050 /nfs/dbraw/zinc/59/90/50/1104599050.db2.gz CVMVJYIKTGNBGV-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246569086 1104599965 /nfs/dbraw/zinc/59/99/65/1104599965.db2.gz PUSUAQFLXAWQIE-BHYGNILZSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC001246582573 1104606081 /nfs/dbraw/zinc/60/60/81/1104606081.db2.gz NWBSGZIPOAHLLM-HNNXBMFYSA-N 2 1 321.896 3.370 20 0 DGADMP c1ccc([C@H]2COCC[N@@H+]2C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246582446 1104606571 /nfs/dbraw/zinc/60/65/71/1104606571.db2.gz MMPJRCDLSIPLOR-LJQANCHMSA-N 2 1 314.473 3.372 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001246585140 1104606579 /nfs/dbraw/zinc/60/65/79/1104606579.db2.gz OMGCVFKTLUNEJB-LPHOPBHVSA-N 2 1 304.478 3.467 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H](C)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246584987 1104606708 /nfs/dbraw/zinc/60/67/08/1104606708.db2.gz CPQIIFCMNSYINF-ZIFCJYIRSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[N@@H+]([C@H]1CCN[C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589887 1104608635 /nfs/dbraw/zinc/60/86/35/1104608635.db2.gz GDVKZOLBTXMJQV-AABGKKOBSA-N 2 1 315.505 3.332 20 0 DGADMP CC(C)N([C@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589887 1104608642 /nfs/dbraw/zinc/60/86/42/1104608642.db2.gz GDVKZOLBTXMJQV-AABGKKOBSA-N 2 1 315.505 3.332 20 0 DGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275073623 1104609042 /nfs/dbraw/zinc/60/90/42/1104609042.db2.gz YAEJLJHQWKRPGW-LJQANCHMSA-N 2 1 309.542 3.162 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246593367 1104610079 /nfs/dbraw/zinc/61/00/79/1104610079.db2.gz MLKLIGISIHPUBM-VQIMIIECSA-N 2 1 318.461 3.187 20 0 DGADMP c1ccc(C[N@@H+](C2CCCCC2)[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246594130 1104611721 /nfs/dbraw/zinc/61/17/21/1104611721.db2.gz CYZYAEJHGJPYGM-LJQANCHMSA-N 2 1 314.473 3.342 20 0 DGADMP CC(C)N([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246593748 1104611914 /nfs/dbraw/zinc/61/19/14/1104611914.db2.gz NWTANDBDXHAUFR-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@H+]([C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246593748 1104611920 /nfs/dbraw/zinc/61/19/20/1104611920.db2.gz NWTANDBDXHAUFR-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC001246593748 1104611925 /nfs/dbraw/zinc/61/19/25/1104611925.db2.gz NWTANDBDXHAUFR-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP CCCC[C@@H](CCC)[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246594121 1104612439 /nfs/dbraw/zinc/61/24/39/1104612439.db2.gz JHWSXPYKWQNBAD-SCTDSRPQSA-N 2 1 324.509 3.210 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001246597992 1104613997 /nfs/dbraw/zinc/61/39/97/1104613997.db2.gz ZGFIPULZYWXNPI-YJBOKZPZSA-N 2 1 308.416 3.273 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001275077287 1104615170 /nfs/dbraw/zinc/61/51/70/1104615170.db2.gz QLMSADGYBJDLJV-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@H](CC)C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275077287 1104615174 /nfs/dbraw/zinc/61/51/74/1104615174.db2.gz QLMSADGYBJDLJV-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@H](CC)C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275077287 1104615177 /nfs/dbraw/zinc/61/51/77/1104615177.db2.gz QLMSADGYBJDLJV-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275077287 1104615180 /nfs/dbraw/zinc/61/51/80/1104615180.db2.gz QLMSADGYBJDLJV-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275077287 1104615184 /nfs/dbraw/zinc/61/51/84/1104615184.db2.gz QLMSADGYBJDLJV-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600016 1104616355 /nfs/dbraw/zinc/61/63/55/1104616355.db2.gz CPWWRGOJWYGYIT-HKUYNNGSSA-N 2 1 324.509 3.354 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601923 1104617772 /nfs/dbraw/zinc/61/77/72/1104617772.db2.gz HXSULNRXQORGCY-BJLQDIEVSA-N 3 1 321.553 3.399 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601923 1104617776 /nfs/dbraw/zinc/61/77/76/1104617776.db2.gz HXSULNRXQORGCY-BJLQDIEVSA-N 2 1 321.553 3.399 20 0 DGADMP C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600898 1104617894 /nfs/dbraw/zinc/61/78/94/1104617894.db2.gz FDJNSVSVMNZPDY-IEBWSBKVSA-N 2 1 301.478 3.258 20 0 DGADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246602772 1104619650 /nfs/dbraw/zinc/61/96/50/1104619650.db2.gz JKBDUPUCPQAZML-UFYCRDLUSA-N 3 1 319.537 3.155 20 0 DGADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246602773 1104620778 /nfs/dbraw/zinc/62/07/78/1104620778.db2.gz JKBDUPUCPQAZML-ZCNNSNEGSA-N 3 1 319.537 3.155 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607798 1104623789 /nfs/dbraw/zinc/62/37/89/1104623789.db2.gz FUEGAGBOGBXDSW-LPHOPBHVSA-N 2 1 320.427 3.288 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607798 1104623795 /nfs/dbraw/zinc/62/37/95/1104623795.db2.gz FUEGAGBOGBXDSW-LPHOPBHVSA-N 2 1 320.427 3.288 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246610914 1104626317 /nfs/dbraw/zinc/62/63/17/1104626317.db2.gz SLHXZCTVYJZYMB-QFBILLFUSA-N 2 1 302.462 3.092 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246611328 1104626478 /nfs/dbraw/zinc/62/64/78/1104626478.db2.gz UMIAVRKZFGNWKG-RTBURBONSA-N 3 1 309.542 3.353 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246611328 1104626483 /nfs/dbraw/zinc/62/64/83/1104626483.db2.gz UMIAVRKZFGNWKG-RTBURBONSA-N 3 1 309.542 3.353 20 0 DGADMP c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CS2 ZINC001246613841 1104628542 /nfs/dbraw/zinc/62/85/42/1104628542.db2.gz QZOIXZRFFHUPAB-SJLPKXTDSA-N 2 1 302.487 3.169 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246613021 1104628830 /nfs/dbraw/zinc/62/88/30/1104628830.db2.gz KFIJFTAQXBRVBW-CQSZACIVSA-N 2 1 308.491 3.365 20 0 DGADMP C1CCC2(CC1)CCC([N@@H+]1CCO[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246615610 1104630297 /nfs/dbraw/zinc/63/02/97/1104630297.db2.gz CVKPDIDFTHMQMC-IBGZPJMESA-N 2 1 306.494 3.334 20 0 DGADMP C1CCC2(CC1)CCC([N@H+]1CCO[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246615610 1104630303 /nfs/dbraw/zinc/63/03/03/1104630303.db2.gz CVKPDIDFTHMQMC-IBGZPJMESA-N 2 1 306.494 3.334 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246619908 1104631118 /nfs/dbraw/zinc/63/11/18/1104631118.db2.gz MQNGRNYXVCIRJP-VQTJNVASSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246619908 1104631120 /nfs/dbraw/zinc/63/11/20/1104631120.db2.gz MQNGRNYXVCIRJP-VQTJNVASSA-N 2 1 316.489 3.098 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246623430 1104632667 /nfs/dbraw/zinc/63/26/67/1104632667.db2.gz SYENEAQLSGOVKX-UXHICEINSA-N 2 1 316.489 3.242 20 0 DGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246623430 1104632671 /nfs/dbraw/zinc/63/26/71/1104632671.db2.gz SYENEAQLSGOVKX-UXHICEINSA-N 2 1 316.489 3.242 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246629964 1104637043 /nfs/dbraw/zinc/63/70/43/1104637043.db2.gz GPASUUQDAUVVKQ-VQIMIIECSA-N 2 1 302.437 3.291 20 0 DGADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@]3(C1)C[NH2+]CCC3(F)F)C2 ZINC001246635553 1104638596 /nfs/dbraw/zinc/63/85/96/1104638596.db2.gz CLATXUSTWAOAHX-WMZOPIPTSA-N 2 1 320.427 3.173 20 0 DGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@]3(C1)C[NH2+]CCC3(F)F)C2 ZINC001246635552 1104638801 /nfs/dbraw/zinc/63/88/01/1104638801.db2.gz CLATXUSTWAOAHX-SJLPKXTDSA-N 2 1 320.427 3.173 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634558 1104639100 /nfs/dbraw/zinc/63/91/00/1104639100.db2.gz OLZMGANXCVLQAW-VQIMIIECSA-N 2 1 320.427 3.430 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246636837 1104640050 /nfs/dbraw/zinc/64/00/50/1104640050.db2.gz FTRCZLKKYFQDNZ-ZDUSSCGKSA-N 2 1 310.844 3.486 20 0 DGADMP C1CCC2(CC1)CCC([N@H+]1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC2 ZINC001246637446 1104640056 /nfs/dbraw/zinc/64/00/56/1104640056.db2.gz YKRFLXMYFHGUAN-SJLPKXTDSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246637553 1104640159 /nfs/dbraw/zinc/64/01/59/1104640159.db2.gz GJRYLCRSSWOZMR-AWEZNQCLSA-N 2 1 308.466 3.382 20 0 DGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C1CCCC1)CC2 ZINC001246637204 1104640572 /nfs/dbraw/zinc/64/05/72/1104640572.db2.gz MLMUAJAJCWUSIR-UHFFFAOYSA-N 2 1 300.446 3.075 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246643333 1104642248 /nfs/dbraw/zinc/64/22/48/1104642248.db2.gz YIWSPFZBNGCEDF-UXHICEINSA-N 2 1 316.489 3.100 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)ccc2c1 ZINC001246645613 1104643648 /nfs/dbraw/zinc/64/36/48/1104643648.db2.gz NSSCFPOFQKPVIR-DCPHZVHLSA-N 2 1 310.441 3.203 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)ccc2c1 ZINC001246645613 1104643652 /nfs/dbraw/zinc/64/36/52/1104643652.db2.gz NSSCFPOFQKPVIR-DCPHZVHLSA-N 2 1 310.441 3.203 20 0 DGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278460091 1104647526 /nfs/dbraw/zinc/64/75/26/1104647526.db2.gz PXSAPIJNKLKBRV-JENIJYKNSA-N 2 1 323.525 3.020 20 0 DGADMP COc1cccc(C[C@H](C)[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001246649789 1104647579 /nfs/dbraw/zinc/64/75/79/1104647579.db2.gz FBMKTDAUDVLTDT-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001246649789 1104647584 /nfs/dbraw/zinc/64/75/84/1104647584.db2.gz FBMKTDAUDVLTDT-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP CC(C)(C)N1CCC([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001246658680 1104650546 /nfs/dbraw/zinc/65/05/46/1104650546.db2.gz VGUBYFHZDYNTGU-SFHVURJKSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246673406 1104657438 /nfs/dbraw/zinc/65/74/38/1104657438.db2.gz MJEKQILBBXNMJK-XNRPHZJLSA-N 2 1 323.278 3.064 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678462 1104658185 /nfs/dbraw/zinc/65/81/85/1104658185.db2.gz NUAIIOINZJRRML-SJORKVTESA-N 3 1 321.553 3.349 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246679271 1104658257 /nfs/dbraw/zinc/65/82/57/1104658257.db2.gz SKBPHLKOEDBXAT-WBYGSUFKSA-N 3 1 321.553 3.351 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246679269 1104658821 /nfs/dbraw/zinc/65/88/21/1104658821.db2.gz SKBPHLKOEDBXAT-UVHRUJRTSA-N 3 1 321.553 3.351 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246679272 1104658948 /nfs/dbraw/zinc/65/89/48/1104658948.db2.gz SKBPHLKOEDBXAT-ZMTPEHOPSA-N 3 1 321.553 3.351 20 0 DGADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](C2Cc4ccccc4C2)C3)cc1 ZINC001246682749 1104660688 /nfs/dbraw/zinc/66/06/88/1104660688.db2.gz DGHWJKJPBPTKAI-YADHBBJMSA-N 2 1 318.464 3.233 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001246691561 1104661681 /nfs/dbraw/zinc/66/16/81/1104661681.db2.gz LHBPCLZJAQZZQT-VQTJNVASSA-N 2 1 324.468 3.490 20 0 DGADMP Clc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246689107 1104661712 /nfs/dbraw/zinc/66/17/12/1104661712.db2.gz SDTIMYMCAUAYTA-VQFNDLOPSA-N 2 1 319.880 3.135 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246690071 1104662014 /nfs/dbraw/zinc/66/20/14/1104662014.db2.gz JVYPTXDAGLZZSO-XYPHTWIQSA-N 2 1 310.844 3.295 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246689376 1104662077 /nfs/dbraw/zinc/66/20/77/1104662077.db2.gz JPWNZMPVJRHQGJ-MKXGPGLRSA-N 2 1 302.437 3.346 20 0 DGADMP CSCC[C@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246688428 1104662339 /nfs/dbraw/zinc/66/23/39/1104662339.db2.gz ZUWVKBLVXUMEPQ-JQHSSLGASA-N 2 1 304.503 3.207 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246773532 1104667452 /nfs/dbraw/zinc/66/74/52/1104667452.db2.gz AIROYRVUHSMDGQ-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246773532 1104667457 /nfs/dbraw/zinc/66/74/57/1104667457.db2.gz AIROYRVUHSMDGQ-JSGCOSHPSA-N 2 1 311.267 3.051 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001246767500 1104667518 /nfs/dbraw/zinc/66/75/18/1104667518.db2.gz RJLGMKUTVIWNGQ-KPFFTGBYSA-N 2 1 315.505 3.319 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC001330871786 1104667681 /nfs/dbraw/zinc/66/76/81/1104667681.db2.gz GTHGTGWEERBMPW-QGZVFWFLSA-N 2 1 301.478 3.108 20 0 DGADMP C[NH2+]CC[C@@H](C)N1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001246765389 1104667819 /nfs/dbraw/zinc/66/78/19/1104667819.db2.gz JNAGLELXNMHBRP-TTYHFUOFSA-N 2 1 315.505 3.095 20 0 DGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780564 1104670183 /nfs/dbraw/zinc/67/01/83/1104670183.db2.gz SZANBVWJFBGOQK-CRAIPNDOSA-N 2 1 320.477 3.302 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780564 1104670186 /nfs/dbraw/zinc/67/01/86/1104670186.db2.gz SZANBVWJFBGOQK-CRAIPNDOSA-N 2 1 320.477 3.302 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)cc1 ZINC001246781488 1104670421 /nfs/dbraw/zinc/67/04/21/1104670421.db2.gz GBBJJKSKAXPVJV-SFNKJDCFSA-N 2 1 302.462 3.367 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246780878 1104670715 /nfs/dbraw/zinc/67/07/15/1104670715.db2.gz AJPFVOUOWGEVSG-CUYAVPTFSA-N 2 1 300.446 3.062 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246783779 1104672443 /nfs/dbraw/zinc/67/24/43/1104672443.db2.gz VBCFWPNSGCBQAL-MOPGFXCFSA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787072 1104674781 /nfs/dbraw/zinc/67/47/81/1104674781.db2.gz QDFKBQATHZNPDQ-NEWSRXKRSA-N 2 1 302.462 3.306 20 0 DGADMP FC(F)(F)c1cccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC001246794239 1104679545 /nfs/dbraw/zinc/67/95/45/1104679545.db2.gz GINPNDCRZADPTQ-AIANPOQGSA-N 2 1 324.390 3.493 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246795820 1104679836 /nfs/dbraw/zinc/67/98/36/1104679836.db2.gz KGBCEAKXGPLSIS-SZMVWBNQSA-N 2 1 317.477 3.092 20 0 DGADMP COc1ccc([C@H]2CSCC[N@@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246804081 1104682423 /nfs/dbraw/zinc/68/24/23/1104682423.db2.gz LAXMNSSRDREION-CXHZTBPHSA-N 2 1 320.502 3.314 20 0 DGADMP COc1ccc([C@H]2CSCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246804081 1104682426 /nfs/dbraw/zinc/68/24/26/1104682426.db2.gz LAXMNSSRDREION-CXHZTBPHSA-N 2 1 320.502 3.314 20 0 DGADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246810992 1104685871 /nfs/dbraw/zinc/68/58/71/1104685871.db2.gz PMFNUSLJJJAXTA-OTWHNJEPSA-N 2 1 316.489 3.239 20 0 DGADMP COc1cccc(CC[N@@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246812927 1104687046 /nfs/dbraw/zinc/68/70/46/1104687046.db2.gz FRLQCMVZHOQGLN-HKUYNNGSSA-N 2 1 302.462 3.092 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246813981 1104688439 /nfs/dbraw/zinc/68/84/39/1104688439.db2.gz NEUMZNZMRKOHDO-SJLPKXTDSA-N 2 1 304.478 3.336 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCNC[C@H]1Cc1ccccc1 ZINC001246819099 1104690449 /nfs/dbraw/zinc/69/04/49/1104690449.db2.gz QTQBRVBRYRHPAD-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001246819099 1104690451 /nfs/dbraw/zinc/69/04/51/1104690451.db2.gz QTQBRVBRYRHPAD-AZUAARDMSA-N 2 1 317.521 3.013 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246839206 1104699375 /nfs/dbraw/zinc/69/93/75/1104699375.db2.gz IAIYZNNOLJRUIB-SWLSCSKDSA-N 2 1 311.267 3.412 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC001246840124 1104701680 /nfs/dbraw/zinc/70/16/80/1104701680.db2.gz FFHGINPYMLZLKM-UFYCRDLUSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246841743 1104701730 /nfs/dbraw/zinc/70/17/30/1104701730.db2.gz OAPXWUYAWWTPLS-ZIEJDFEHSA-N 2 1 323.278 3.049 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246841743 1104701736 /nfs/dbraw/zinc/70/17/36/1104701736.db2.gz OAPXWUYAWWTPLS-ZIEJDFEHSA-N 2 1 323.278 3.049 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246842106 1104702631 /nfs/dbraw/zinc/70/26/31/1104702631.db2.gz ARDXFNXECRJRFZ-XBFCOCLRSA-N 2 1 313.272 3.466 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246842604 1104702905 /nfs/dbraw/zinc/70/29/05/1104702905.db2.gz CSQVRSFLXJNIDH-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246842105 1104703367 /nfs/dbraw/zinc/70/33/67/1104703367.db2.gz ARDXFNXECRJRFZ-MRVWCRGKSA-N 2 1 313.272 3.466 20 0 DGADMP CC[C@H]1CC([N@H+](C)Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246842007 1104703477 /nfs/dbraw/zinc/70/34/77/1104703477.db2.gz SMBFWZAWYKNYMV-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H]1CC([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246842007 1104703484 /nfs/dbraw/zinc/70/34/84/1104703484.db2.gz SMBFWZAWYKNYMV-HOTGVXAUSA-N 2 1 320.477 3.445 20 0 DGADMP CCN([C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246852104 1104707182 /nfs/dbraw/zinc/70/71/82/1104707182.db2.gz PFBZYAIYWVLICJ-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246848914 1104707351 /nfs/dbraw/zinc/70/73/51/1104707351.db2.gz CVUSRWAHESXTIX-MUQADHOPSA-N 2 1 320.864 3.466 20 0 DGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246852642 1104708714 /nfs/dbraw/zinc/70/87/14/1104708714.db2.gz FCXQSDMPJKSVRX-KANFNMMFSA-N 2 1 302.437 3.363 20 0 DGADMP CC[C@H]1c2ccccc2CC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246863935 1104711164 /nfs/dbraw/zinc/71/11/64/1104711164.db2.gz HDOYZHBEPKRWCS-SYYJFZTOSA-N 2 1 314.473 3.297 20 0 DGADMP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246867721 1104714466 /nfs/dbraw/zinc/71/44/66/1104714466.db2.gz KGNOXEKLHXSSFJ-DLBZAZTESA-N 2 1 322.493 3.092 20 0 DGADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](C2CCC3(CCCCC3)CC2)CC1 ZINC001246870369 1104714703 /nfs/dbraw/zinc/71/47/03/1104714703.db2.gz VWAWZYVXELLJNY-KRWDZBQOSA-N 2 1 322.493 3.092 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)C2)cc1 ZINC001246878689 1104717525 /nfs/dbraw/zinc/71/75/25/1104717525.db2.gz AFMPEQQTTFDRDH-NBMJBFSESA-N 2 1 316.489 3.479 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246879604 1104717731 /nfs/dbraw/zinc/71/77/31/1104717731.db2.gz XDBMHXHVTCAAMC-GGPKGHCWSA-N 2 1 314.473 3.407 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)C2)cc1 ZINC001246878636 1104718591 /nfs/dbraw/zinc/71/85/91/1104718591.db2.gz SJBFRSJFWFRBLN-ZIFCJYIRSA-N 2 1 302.462 3.261 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001246885090 1104722945 /nfs/dbraw/zinc/72/29/45/1104722945.db2.gz LNLUGRQQDLTRNU-JKSUJKDBSA-N 2 1 309.523 3.205 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001246885090 1104722951 /nfs/dbraw/zinc/72/29/51/1104722951.db2.gz LNLUGRQQDLTRNU-JKSUJKDBSA-N 2 1 309.523 3.205 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890817 1104725686 /nfs/dbraw/zinc/72/56/86/1104725686.db2.gz VEXPHCBJBGZXBD-SFHVURJKSA-N 2 1 316.489 3.182 20 0 DGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246899673 1104727840 /nfs/dbraw/zinc/72/78/40/1104727840.db2.gz FQEYPCMUMKGGGL-SUMWQHHRSA-N 2 1 313.470 3.152 20 0 DGADMP CC[C@@H]1CC([N@@H+]2CCc3c(cccc3OC)C2)C[C@@H](CC)[NH2+]1 ZINC001246904603 1104729693 /nfs/dbraw/zinc/72/96/93/1104729693.db2.gz HMSNEWFXIMPURV-HZPDHXFCSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1CC([N@H+]2CCc3c(cccc3OC)C2)C[C@@H](CC)[NH2+]1 ZINC001246904603 1104729701 /nfs/dbraw/zinc/72/97/01/1104729701.db2.gz HMSNEWFXIMPURV-HZPDHXFCSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246904759 1104729980 /nfs/dbraw/zinc/72/99/80/1104729980.db2.gz YGXYDDPWGWXHRF-MWDXBVQZSA-N 2 1 324.509 3.349 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904269 1104730761 /nfs/dbraw/zinc/73/07/61/1104730761.db2.gz VHYPRGQNNBDQIK-GVDBMIGSSA-N 2 1 324.509 3.351 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)C1(C)CC[NH2+]CC1)CC2 ZINC001246909741 1104731800 /nfs/dbraw/zinc/73/18/00/1104731800.db2.gz KGMLZNSDFSWIGU-CYBMUJFWSA-N 2 1 322.880 3.280 20 0 DGADMP COc1cccc2c1CC[N@@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246908193 1104732003 /nfs/dbraw/zinc/73/20/03/1104732003.db2.gz WIEMOCPOCKPWEQ-MAUKXSAKSA-N 2 1 302.462 3.220 20 0 DGADMP COc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246908193 1104732009 /nfs/dbraw/zinc/73/20/09/1104732009.db2.gz WIEMOCPOCKPWEQ-MAUKXSAKSA-N 2 1 302.462 3.220 20 0 DGADMP CCOc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275345955 1104732083 /nfs/dbraw/zinc/73/20/83/1104732083.db2.gz HVOHDQGPGNNSLJ-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1ccc(C)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275345955 1104732090 /nfs/dbraw/zinc/73/20/90/1104732090.db2.gz HVOHDQGPGNNSLJ-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP CCOc1ccc(C)cc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275345955 1104732094 /nfs/dbraw/zinc/73/20/94/1104732094.db2.gz HVOHDQGPGNNSLJ-CALCHBBNSA-N 2 1 302.462 3.167 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246906686 1104732284 /nfs/dbraw/zinc/73/22/84/1104732284.db2.gz RZKFIEFRZDHTJU-QLFBSQMISA-N 2 1 306.475 3.002 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)CC1 ZINC001246907407 1104732817 /nfs/dbraw/zinc/73/28/17/1104732817.db2.gz RCKABYIIAZZFOY-KZNAEPCWSA-N 2 1 324.509 3.210 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246911224 1104734487 /nfs/dbraw/zinc/73/44/87/1104734487.db2.gz AHTCGKICVWQXLM-KBAYOESNSA-N 2 1 302.462 3.090 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246918782 1104736579 /nfs/dbraw/zinc/73/65/79/1104736579.db2.gz QJHJVTJRVDDERD-BCDXTJNWSA-N 2 1 316.445 3.098 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2Cc3ccc(C(=O)OC)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246918782 1104736584 /nfs/dbraw/zinc/73/65/84/1104736584.db2.gz QJHJVTJRVDDERD-BCDXTJNWSA-N 2 1 316.445 3.098 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246919795 1104736961 /nfs/dbraw/zinc/73/69/61/1104736961.db2.gz ROPXDKRGKRBFHI-HZMVEIRTSA-N 2 1 322.493 3.103 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246919795 1104736965 /nfs/dbraw/zinc/73/69/65/1104736965.db2.gz ROPXDKRGKRBFHI-HZMVEIRTSA-N 2 1 322.493 3.103 20 0 DGADMP C[C@@H]1C[C@H](N(C)[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246923457 1104738044 /nfs/dbraw/zinc/73/80/44/1104738044.db2.gz XEFXXFPTNPEHLC-VBSBHUPXSA-N 2 1 315.505 3.241 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246920777 1104738425 /nfs/dbraw/zinc/73/84/25/1104738425.db2.gz JSYMEEABYXFNBB-GBESFXJTSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246920777 1104738430 /nfs/dbraw/zinc/73/84/30/1104738430.db2.gz JSYMEEABYXFNBB-GBESFXJTSA-N 2 1 302.462 3.198 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246922935 1104739265 /nfs/dbraw/zinc/73/92/65/1104739265.db2.gz MQZVETUIASCCTP-UYAOXDASSA-N 2 1 316.489 3.482 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)c1 ZINC001246926733 1104740725 /nfs/dbraw/zinc/74/07/25/1104740725.db2.gz DXNPHHHQGXJSCJ-INMHGKMJSA-N 2 1 302.462 3.404 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935439 1104743002 /nfs/dbraw/zinc/74/30/02/1104743002.db2.gz FAVLDHYULPJKSH-UHOSZYNNSA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[C@@H]1C[C@H](N(C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246935439 1104743006 /nfs/dbraw/zinc/74/30/06/1104743006.db2.gz FAVLDHYULPJKSH-UHOSZYNNSA-N 2 1 307.526 3.007 20 0 DGADMP Clc1cccc2c1C[C@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CC2 ZINC001246937460 1104744437 /nfs/dbraw/zinc/74/44/37/1104744437.db2.gz ZHOVCDVIZJDKMA-OWCLPIDISA-N 2 1 304.865 3.129 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246938943 1104744978 /nfs/dbraw/zinc/74/49/78/1104744978.db2.gz PWWMCEICJYLHCB-NZSAHSFTSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246941852 1104745668 /nfs/dbraw/zinc/74/56/68/1104745668.db2.gz CIIQRJWQWHTNAA-LNLFQRSKSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942849 1104746140 /nfs/dbraw/zinc/74/61/40/1104746140.db2.gz QVLKNWSQSIVHLB-YUELXQCFSA-N 2 1 310.844 3.342 20 0 DGADMP CCOC(=O)C[N@@H+](C1CCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246945110 1104746617 /nfs/dbraw/zinc/74/66/17/1104746617.db2.gz FGFBQRLRHOAMQG-UHFFFAOYSA-N 2 1 322.493 3.107 20 0 DGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246944116 1104747068 /nfs/dbraw/zinc/74/70/68/1104747068.db2.gz UCLQLXZNPKXDMS-UONOGXRCSA-N 2 1 322.880 3.137 20 0 DGADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCOC[C@H]1C1CCCCC1)C2 ZINC001246945320 1104747248 /nfs/dbraw/zinc/74/72/48/1104747248.db2.gz LAANCAXIMCVZMM-QYZOEREBSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246945673 1104747537 /nfs/dbraw/zinc/74/75/37/1104747537.db2.gz HUXFYTUKVJSRET-PKOBYXMFSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@H+](C1CCNCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246945673 1104747543 /nfs/dbraw/zinc/74/75/43/1104747543.db2.gz HUXFYTUKVJSRET-PKOBYXMFSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCNCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246945673 1104747549 /nfs/dbraw/zinc/74/75/49/1104747549.db2.gz HUXFYTUKVJSRET-PKOBYXMFSA-N 2 1 307.526 3.009 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+]2CC=C(c3ccc(OC)cc3)CC2)CC[NH2+]1 ZINC001246946105 1104747557 /nfs/dbraw/zinc/74/75/57/1104747557.db2.gz FPNLQNZPFQSUBA-QZTJIDSGSA-N 2 1 300.446 3.315 20 0 DGADMP CCOCC[N@@H+]([C@H](C)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246948870 1104748694 /nfs/dbraw/zinc/74/86/94/1104748694.db2.gz GGROEZXFTWKYQN-OAHLLOKOSA-N 2 1 324.896 3.362 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949313 1104749735 /nfs/dbraw/zinc/74/97/35/1104749735.db2.gz JMKDBMUUOONDLH-HXUWFJFHSA-N 2 1 318.505 3.488 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949561 1104750119 /nfs/dbraw/zinc/75/01/19/1104750119.db2.gz UHHOLHDEHZBTIQ-OJLVUWQFSA-N 2 1 308.491 3.220 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246951089 1104750182 /nfs/dbraw/zinc/75/01/82/1104750182.db2.gz RUONJUFGBGDXRU-OAHLLOKOSA-N 2 1 312.498 3.207 20 0 DGADMP CC(C)N([C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246956107 1104752134 /nfs/dbraw/zinc/75/21/34/1104752134.db2.gz VXJYQWCNEDNVHH-MISYRCLQSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H](c2ccccc2)CO1 ZINC001246974124 1104756622 /nfs/dbraw/zinc/75/66/22/1104756622.db2.gz IABMOYFQYHSXIA-YTQUADARSA-N 2 1 314.473 3.371 20 0 DGADMP CCN1CC[C@H]([N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246972350 1104757053 /nfs/dbraw/zinc/75/70/53/1104757053.db2.gz HXJXRBVFLBKGKK-UFYCRDLUSA-N 2 1 315.505 3.161 20 0 DGADMP COc1cccc(C[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246974353 1104757488 /nfs/dbraw/zinc/75/74/88/1104757488.db2.gz RCWLXRCBOLJYJI-NVXWUHKLSA-N 2 1 302.462 3.090 20 0 DGADMP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@@H](C)NC2)c1 ZINC001246974714 1104757988 /nfs/dbraw/zinc/75/79/88/1104757988.db2.gz RJJGMELGCZKVIJ-VBSBHUPXSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[C@@H](C)NC2)c1 ZINC001246974714 1104757992 /nfs/dbraw/zinc/75/79/92/1104757992.db2.gz RJJGMELGCZKVIJ-VBSBHUPXSA-N 2 1 315.505 3.207 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CS2 ZINC001246975005 1104758146 /nfs/dbraw/zinc/75/81/46/1104758146.db2.gz RMSSEWDTONSUNZ-PBHICJAKSA-N 2 1 302.487 3.167 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246976461 1104758180 /nfs/dbraw/zinc/75/81/80/1104758180.db2.gz QKEOWRWKDSKOHV-CZUORRHYSA-N 2 1 308.416 3.144 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@H](Oc3ccncc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246975494 1104758484 /nfs/dbraw/zinc/75/84/84/1104758484.db2.gz UHTUAUZMERMLCO-NUJGCVRESA-N 2 1 317.477 3.152 20 0 DGADMP CCc1ccccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275439205 1104759171 /nfs/dbraw/zinc/75/91/71/1104759171.db2.gz PTJNACYTAFPMIU-UHFFFAOYSA-N 2 1 324.472 3.070 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)n1 ZINC001246977185 1104759452 /nfs/dbraw/zinc/75/94/52/1104759452.db2.gz ZWHSSBHORFGFOC-BRWVUGGUSA-N 2 1 317.477 3.010 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)n1 ZINC001246977187 1104759607 /nfs/dbraw/zinc/75/96/07/1104759607.db2.gz ZWHSSBHORFGFOC-ZACQAIPSSA-N 2 1 317.477 3.010 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CCC(CC2CC[NH2+]CC2)CC1 ZINC001246977877 1104759695 /nfs/dbraw/zinc/75/96/95/1104759695.db2.gz FXDOENZATKUVTI-KRWDZBQOSA-N 2 1 309.542 3.209 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2C[C@H](CC)[NH2+][C@@H](CC)C2)C[C@@H]1C ZINC001246985095 1104762305 /nfs/dbraw/zinc/76/23/05/1104762305.db2.gz AYSPRLPJVPIXEZ-QAETUUGQSA-N 2 1 324.509 3.207 20 0 DGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C[C@H]1C ZINC001246985089 1104762962 /nfs/dbraw/zinc/76/29/62/1104762962.db2.gz AYSPRLPJVPIXEZ-MDMSPXHWSA-N 2 1 324.509 3.207 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](CC(=O)OCC)[C@@H](C)C2)CC[NH2+]1 ZINC001246986308 1104763663 /nfs/dbraw/zinc/76/36/63/1104763663.db2.gz HEPJYUFJMPDYHY-WNRNVDISSA-N 2 1 324.509 3.208 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246995691 1104769286 /nfs/dbraw/zinc/76/92/86/1104769286.db2.gz CZMVQNGEHZKOSG-FOIQADDNSA-N 2 1 314.448 3.248 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC001246998097 1104770352 /nfs/dbraw/zinc/77/03/52/1104770352.db2.gz DTPSARQRUAKOEN-KZNAEPCWSA-N 2 1 302.462 3.233 20 0 DGADMP C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001247000961 1104771531 /nfs/dbraw/zinc/77/15/31/1104771531.db2.gz OSDFBVZZYIMHJV-SLFFLAALSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001247000961 1104771536 /nfs/dbraw/zinc/77/15/36/1104771536.db2.gz OSDFBVZZYIMHJV-SLFFLAALSA-N 2 1 322.452 3.415 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247000993 1104771578 /nfs/dbraw/zinc/77/15/78/1104771578.db2.gz YQZKJIGCRGVGNK-QOIOWGMHSA-N 2 1 314.448 3.389 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001247000257 1104771649 /nfs/dbraw/zinc/77/16/49/1104771649.db2.gz GQQUYDVVFIVSJE-IHDAEGIWSA-N 2 1 304.865 3.399 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2c(Cl)cccc2C1 ZINC001247001146 1104771733 /nfs/dbraw/zinc/77/17/33/1104771733.db2.gz JBLWJKKBFYDEPM-WDVRLDOZSA-N 2 1 304.865 3.399 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+]([C@H]3CCC[NH2+]CC3)CC[C@@H]1N2 ZINC001247002039 1104771925 /nfs/dbraw/zinc/77/19/25/1104771925.db2.gz KHMYEAXZTCZLQQ-QRTARXTBSA-N 2 1 305.853 3.066 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@H]3CCC[NH2+]CC3)CC[C@@H]1N2 ZINC001247002039 1104771931 /nfs/dbraw/zinc/77/19/31/1104771931.db2.gz KHMYEAXZTCZLQQ-QRTARXTBSA-N 2 1 305.853 3.066 20 0 DGADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001247004273 1104772930 /nfs/dbraw/zinc/77/29/30/1104772930.db2.gz ZYOWEBVKLRDXBZ-MRXNPFEDSA-N 2 1 302.462 3.405 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003044 1104773117 /nfs/dbraw/zinc/77/31/17/1104773117.db2.gz MPZGTTMAQKYXLW-MDRZDLKXSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247003044 1104773125 /nfs/dbraw/zinc/77/31/25/1104773125.db2.gz MPZGTTMAQKYXLW-MDRZDLKXSA-N 2 1 305.853 3.064 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001247004426 1104773637 /nfs/dbraw/zinc/77/36/37/1104773637.db2.gz CBDXPODCFHJNIS-WBAXXEDZSA-N 2 1 316.445 3.141 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006630 1104773696 /nfs/dbraw/zinc/77/36/96/1104773696.db2.gz VGAVTRILPUKRIZ-ZRUPIONWSA-N 2 1 319.880 3.452 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC001247006630 1104773701 /nfs/dbraw/zinc/77/37/01/1104773701.db2.gz VGAVTRILPUKRIZ-ZRUPIONWSA-N 2 1 319.880 3.452 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008964 1104775990 /nfs/dbraw/zinc/77/59/90/1104775990.db2.gz ZTZWSRSZHAOHQC-YSVFJMGKSA-N 2 1 317.864 3.206 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]1N2 ZINC001247008964 1104775993 /nfs/dbraw/zinc/77/59/93/1104775993.db2.gz ZTZWSRSZHAOHQC-YSVFJMGKSA-N 2 1 317.864 3.206 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4ncsc43)C[C@H]2CC1 ZINC001275557805 1104808064 /nfs/dbraw/zinc/80/80/64/1104808064.db2.gz JFFADJCFMBLYHX-OKILXGFUSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4ncsc43)C[C@H]2CC1 ZINC001275557805 1104808072 /nfs/dbraw/zinc/80/80/72/1104808072.db2.gz JFFADJCFMBLYHX-OKILXGFUSA-N 2 1 301.459 3.070 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4ncsc43)C[C@H]2CC1 ZINC001275557805 1104808083 /nfs/dbraw/zinc/80/80/83/1104808083.db2.gz JFFADJCFMBLYHX-OKILXGFUSA-N 2 1 301.459 3.070 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1F ZINC001275822425 1104921529 /nfs/dbraw/zinc/92/15/29/1104921529.db2.gz GMWUMISSGSEUJZ-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1F ZINC001275822425 1104921535 /nfs/dbraw/zinc/92/15/35/1104921535.db2.gz GMWUMISSGSEUJZ-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1F ZINC001275822425 1104921540 /nfs/dbraw/zinc/92/15/40/1104921540.db2.gz GMWUMISSGSEUJZ-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1C ZINC001275822460 1104921710 /nfs/dbraw/zinc/92/17/10/1104921710.db2.gz HWMGDUUTCCIQFU-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CCCCOc1ccc(-c2noc([C@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247701911 1104959996 /nfs/dbraw/zinc/95/99/96/1104959996.db2.gz SUZBAITZFJUPTF-OAHLLOKOSA-N 2 1 318.421 3.044 20 0 DGADMP CC(C)Oc1ccc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276050358 1105006018 /nfs/dbraw/zinc/00/60/18/1105006018.db2.gz VUSJOOKWLCAACH-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC001276132245 1105027197 /nfs/dbraw/zinc/02/71/97/1105027197.db2.gz LAIOCCKJIMHSET-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cccc(F)c4[nH]3)C[C@H]2CC1 ZINC001276187310 1105042920 /nfs/dbraw/zinc/04/29/20/1105042920.db2.gz CCIOUFOLNRMYHF-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cccc(F)c4[nH]3)C[C@H]2CC1 ZINC001276187310 1105042927 /nfs/dbraw/zinc/04/29/27/1105042927.db2.gz CCIOUFOLNRMYHF-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cccc(F)c4[nH]3)C[C@H]2CC1 ZINC001276187310 1105042934 /nfs/dbraw/zinc/04/29/34/1105042934.db2.gz CCIOUFOLNRMYHF-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP Cc1ncoc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001276211933 1105049254 /nfs/dbraw/zinc/04/92/54/1105049254.db2.gz GMSGVXNRXGQACF-ZWKOTPCHSA-N 2 1 303.450 3.450 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)c(F)c(F)c3F)C[C@H]2CC1 ZINC001276212098 1105049303 /nfs/dbraw/zinc/04/93/03/1105049303.db2.gz NPDLWJDGHXAEHB-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)c(F)c(F)c3F)C[C@H]2CC1 ZINC001276212098 1105049308 /nfs/dbraw/zinc/04/93/08/1105049308.db2.gz NPDLWJDGHXAEHB-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3F)C[C@H]2CC1 ZINC001276212098 1105049315 /nfs/dbraw/zinc/04/93/15/1105049315.db2.gz NPDLWJDGHXAEHB-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3F)C[C@H]2CC1 ZINC001276212098 1105049321 /nfs/dbraw/zinc/04/93/21/1105049321.db2.gz NPDLWJDGHXAEHB-PHIMTYICSA-N 2 1 316.342 3.017 20 0 DGADMP Cc1ccc(Cl)c(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1 ZINC001248195449 1105065485 /nfs/dbraw/zinc/06/54/85/1105065485.db2.gz ZUNUNVPOIUZYBL-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP Cc1c(F)ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1F ZINC001248194049 1105065667 /nfs/dbraw/zinc/06/56/67/1105065667.db2.gz CTICAXKGMWHWAK-ZDUSSCGKSA-N 2 1 324.375 3.055 20 0 DGADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1C ZINC001248194454 1105065709 /nfs/dbraw/zinc/06/57/09/1105065709.db2.gz ITKGXYZYXSHUCO-HNNXBMFYSA-N 2 1 302.422 3.085 20 0 DGADMP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001276261979 1105066658 /nfs/dbraw/zinc/06/66/58/1105066658.db2.gz RGYRXNSQQDDQKM-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])CC(C)(C)C)n2)cc1 ZINC001248206356 1105067978 /nfs/dbraw/zinc/06/79/78/1105067978.db2.gz YQUQJHNMTIJSFM-CQSZACIVSA-N 2 1 302.422 3.234 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)cs1 ZINC001248801980 1105165437 /nfs/dbraw/zinc/16/54/37/1105165437.db2.gz ORWDDWYUNXFGQN-SFHVURJKSA-N 2 1 322.518 3.379 20 0 DGADMP C[N@@H+](Cc1ccc2n1CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248824381 1105171588 /nfs/dbraw/zinc/17/15/88/1105171588.db2.gz KVJPZFFKBYAQPE-IBGZPJMESA-N 2 1 323.484 3.388 20 0 DGADMP C[N@H+](Cc1ccc2n1CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248824381 1105171591 /nfs/dbraw/zinc/17/15/91/1105171591.db2.gz KVJPZFFKBYAQPE-IBGZPJMESA-N 2 1 323.484 3.388 20 0 DGADMP C[NH+](Cc1ccc2n1CCC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001248824381 1105171595 /nfs/dbraw/zinc/17/15/95/1105171595.db2.gz KVJPZFFKBYAQPE-IBGZPJMESA-N 2 1 323.484 3.388 20 0 DGADMP C[NH+](Cc1ccc2n1CCC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001248824381 1105171599 /nfs/dbraw/zinc/17/15/99/1105171599.db2.gz KVJPZFFKBYAQPE-IBGZPJMESA-N 2 1 323.484 3.388 20 0 DGADMP c1cc2n(c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)CCC2 ZINC001248823003 1105171878 /nfs/dbraw/zinc/17/18/78/1105171878.db2.gz GHNSKZNQGWNBAS-KRWDZBQOSA-N 2 1 301.478 3.275 20 0 DGADMP c1cc2n(c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)CCC2 ZINC001248823003 1105171881 /nfs/dbraw/zinc/17/18/81/1105171881.db2.gz GHNSKZNQGWNBAS-KRWDZBQOSA-N 2 1 301.478 3.275 20 0 DGADMP Cc1cc(C(F)(F)F)c(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC001249514733 1105302296 /nfs/dbraw/zinc/30/22/96/1105302296.db2.gz XNLXXIXRRMXWHP-UHFFFAOYSA-N 2 1 315.383 3.182 20 0 DGADMP Cc1cc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]c1N ZINC001249786994 1105381678 /nfs/dbraw/zinc/38/16/78/1105381678.db2.gz BSRIMJFOXJQZHU-UHFFFAOYSA-N 2 1 312.417 3.190 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001250063173 1105435389 /nfs/dbraw/zinc/43/53/89/1105435389.db2.gz SVYWCGOLDPCHOL-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC001137285953 1105471711 /nfs/dbraw/zinc/47/17/11/1105471711.db2.gz PUYPMFFWCLABIZ-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP c1cc(C[NH+]2CCC([NH+]3CCC3)CC2)cc(-c2ccncc2)c1 ZINC001137396279 1105514126 /nfs/dbraw/zinc/51/41/26/1105514126.db2.gz FDEVOZUPZWFZJI-UHFFFAOYSA-N 2 1 307.441 3.419 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(c(OC)c1)OCC=C2 ZINC001250514203 1105528768 /nfs/dbraw/zinc/52/87/68/1105528768.db2.gz HOUKWXUUXVATKU-UHFFFAOYSA-N 2 1 318.461 3.265 20 0 DGADMP CC[C@@H](O)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001251782806 1105695085 /nfs/dbraw/zinc/69/50/85/1105695085.db2.gz VCNPDGJFIWDFHT-LJQANCHMSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@H](O)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001252094382 1105737546 /nfs/dbraw/zinc/73/75/46/1105737546.db2.gz ORDCVXBKJYQVNF-FQEVSTJZSA-N 2 1 316.489 3.060 20 0 DGADMP CCCC[C@H](O)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252094382 1105737548 /nfs/dbraw/zinc/73/75/48/1105737548.db2.gz ORDCVXBKJYQVNF-FQEVSTJZSA-N 2 1 316.489 3.060 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252093484 1105737602 /nfs/dbraw/zinc/73/76/02/1105737602.db2.gz HSKBQNVHKSLLLD-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP CCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252105874 1105740892 /nfs/dbraw/zinc/74/08/92/1105740892.db2.gz IUVWWHSCWUGHST-IYWMVGAKSA-N 2 1 316.489 3.323 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001491352198 1105810792 /nfs/dbraw/zinc/81/07/92/1105810792.db2.gz PULQZVSCQQHMCH-ABHNRTSZSA-N 2 1 323.525 3.068 20 0 DGADMP CCC(CC)[N@@H+](CC)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252931608 1105857046 /nfs/dbraw/zinc/85/70/46/1105857046.db2.gz NFNONNDESUZYPD-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[N@H+](CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252931608 1105857054 /nfs/dbraw/zinc/85/70/54/1105857054.db2.gz NFNONNDESUZYPD-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[N@@H+](CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252931608 1105857061 /nfs/dbraw/zinc/85/70/61/1105857061.db2.gz NFNONNDESUZYPD-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[NH+](CC)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252931608 1105857067 /nfs/dbraw/zinc/85/70/67/1105857067.db2.gz NFNONNDESUZYPD-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[NH+](CC)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931608 1105857074 /nfs/dbraw/zinc/85/70/74/1105857074.db2.gz NFNONNDESUZYPD-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)(C)CC(C)(C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945810 1105858512 /nfs/dbraw/zinc/85/85/12/1105858512.db2.gz IVYKILOAMGPFTO-HXUWFJFHSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)(C)CC(C)(C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945810 1105858516 /nfs/dbraw/zinc/85/85/16/1105858516.db2.gz IVYKILOAMGPFTO-HXUWFJFHSA-N 2 1 318.505 3.428 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001253195135 1105901448 /nfs/dbraw/zinc/90/14/48/1105901448.db2.gz NUADENNQLVXCTJ-WBVHZDCISA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1SC ZINC001253195135 1105901454 /nfs/dbraw/zinc/90/14/54/1105901454.db2.gz NUADENNQLVXCTJ-WBVHZDCISA-N 2 1 322.518 3.248 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccc(F)cc1 ZINC001253210843 1105903513 /nfs/dbraw/zinc/90/35/13/1105903513.db2.gz PEGIFGMCTPJWSG-QZTJIDSGSA-N 2 1 310.457 3.205 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC001253214162 1105904802 /nfs/dbraw/zinc/90/48/02/1105904802.db2.gz NYPUFKMWJTUNIC-LPHOPBHVSA-N 2 1 306.494 3.238 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC001253385841 1105932773 /nfs/dbraw/zinc/93/27/73/1105932773.db2.gz QTNWCSNMUHOSLS-LBPRGKRZSA-N 2 1 307.825 3.049 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC001253390670 1105933597 /nfs/dbraw/zinc/93/35/97/1105933597.db2.gz VFXOZHJWVHRADJ-QGZVFWFLSA-N 2 1 324.896 3.268 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253549050 1105956853 /nfs/dbraw/zinc/95/68/53/1105956853.db2.gz LJSMNTTUJWIECR-OALUTQOASA-N 2 1 304.478 3.039 20 0 DGADMP CC(C)[C@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001253759542 1105980937 /nfs/dbraw/zinc/98/09/37/1105980937.db2.gz FPXXNOXVZOJGPN-HAGHYFMRSA-N 2 1 316.489 3.114 20 0 DGADMP CC(C)[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001253759542 1105980941 /nfs/dbraw/zinc/98/09/41/1105980941.db2.gz FPXXNOXVZOJGPN-HAGHYFMRSA-N 2 1 316.489 3.114 20 0 DGADMP CC(C)[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001253759542 1105980947 /nfs/dbraw/zinc/98/09/47/1105980947.db2.gz FPXXNOXVZOJGPN-HAGHYFMRSA-N 2 1 316.489 3.114 20 0 DGADMP CC[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254040150 1106012590 /nfs/dbraw/zinc/01/25/90/1106012590.db2.gz QFUKSTJQGZCCRS-GOSISDBHSA-N 2 1 316.489 3.136 20 0 DGADMP C[N@@H+]([C@H]1Cc2ccc(Br)cc2C1)C1CCC([NH3+])CC1 ZINC001254268046 1106046269 /nfs/dbraw/zinc/04/62/69/1106046269.db2.gz VTVHPMQUPBRZCJ-GPANFISMSA-N 2 1 323.278 3.118 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001254485355 1106078897 /nfs/dbraw/zinc/07/88/97/1106078897.db2.gz GNKPXLNZFHBCAQ-QZTJIDSGSA-N 2 1 320.477 3.048 20 0 DGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H]1CCC[N@@H+](C)CC1 ZINC001254506446 1106085058 /nfs/dbraw/zinc/08/50/58/1106085058.db2.gz SGLCVFMMORFCJZ-HNNXBMFYSA-N 2 1 315.461 3.116 20 0 DGADMP C[N@H+]1CCC[C@@H](n2c3ccc(F)cc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001254507794 1106087527 /nfs/dbraw/zinc/08/75/27/1106087527.db2.gz DZCCEPMOLUMBFJ-LSDHHAIUSA-N 2 1 315.436 3.253 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccsc2Br)CC1 ZINC001254514390 1106088611 /nfs/dbraw/zinc/08/86/11/1106088611.db2.gz KYBXQVAEXKUEGA-GFCCVEGCSA-N 2 1 317.296 3.127 20 0 DGADMP C[N@H+]1CCC[C@H](N2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001254512249 1106088735 /nfs/dbraw/zinc/08/87/35/1106088735.db2.gz LRRNXQWYWJGFOI-HNNXBMFYSA-N 2 1 321.896 3.074 20 0 DGADMP COc1ccccc1C1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254526283 1106093026 /nfs/dbraw/zinc/09/30/26/1106093026.db2.gz QDEQUDYNYIPZAP-KRWDZBQOSA-N 2 1 302.462 3.359 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001254525744 1106093729 /nfs/dbraw/zinc/09/37/29/1106093729.db2.gz LUGQPTJQQJMBSI-KRWDZBQOSA-N 2 1 312.461 3.158 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001254527540 1106094397 /nfs/dbraw/zinc/09/43/97/1106094397.db2.gz ZJOFXEKHXDRGKT-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001254527540 1106094404 /nfs/dbraw/zinc/09/44/04/1106094404.db2.gz ZJOFXEKHXDRGKT-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001254527540 1106094410 /nfs/dbraw/zinc/09/44/10/1106094410.db2.gz ZJOFXEKHXDRGKT-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CN(C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254533573 1106095806 /nfs/dbraw/zinc/09/58/06/1106095806.db2.gz MQQPXVDFWUZROC-QGZVFWFLSA-N 2 1 307.526 3.200 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001254533337 1106097313 /nfs/dbraw/zinc/09/73/13/1106097313.db2.gz KAKVICUZQVBBRM-PMPSAXMXSA-N 2 1 319.880 3.087 20 0 DGADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001254533337 1106097319 /nfs/dbraw/zinc/09/73/19/1106097319.db2.gz KAKVICUZQVBBRM-PMPSAXMXSA-N 2 1 319.880 3.087 20 0 DGADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001254533337 1106097325 /nfs/dbraw/zinc/09/73/25/1106097325.db2.gz KAKVICUZQVBBRM-PMPSAXMXSA-N 2 1 319.880 3.087 20 0 DGADMP COc1ccc(C2=CC[N@H+]([C@H]3CCC[NH+](C)CC3)CC2)cc1 ZINC001254531017 1106097351 /nfs/dbraw/zinc/09/73/51/1106097351.db2.gz IUBUJBDLDZSFBF-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254531017 1106097354 /nfs/dbraw/zinc/09/73/54/1106097354.db2.gz IUBUJBDLDZSFBF-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254531017 1106097356 /nfs/dbraw/zinc/09/73/56/1106097356.db2.gz IUBUJBDLDZSFBF-SFHVURJKSA-N 2 1 300.446 3.269 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC3CCN(CC3)C2)CC1 ZINC001254847555 1106147866 /nfs/dbraw/zinc/14/78/66/1106147866.db2.gz GDLNOMBKCBHUKD-UFYCRDLUSA-N 2 1 319.537 3.233 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254942935 1106157964 /nfs/dbraw/zinc/15/79/64/1106157964.db2.gz ZDZJUWTYOJHQOA-ITTAAEBISA-N 2 1 304.478 3.259 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[NH+](C4CCSCC4)C[C@@H]3C2)c1 ZINC001255089034 1106175977 /nfs/dbraw/zinc/17/59/77/1106175977.db2.gz LKWNHVSSHLTDJX-KBPBESRZSA-N 2 1 308.516 3.007 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255093933 1106177724 /nfs/dbraw/zinc/17/77/24/1106177724.db2.gz BGCRPXUPTRPGGX-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255093933 1106177727 /nfs/dbraw/zinc/17/77/27/1106177727.db2.gz BGCRPXUPTRPGGX-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](C4CCSCC4)C[C@@H]3C2)cc1 ZINC001255093933 1106177729 /nfs/dbraw/zinc/17/77/29/1106177729.db2.gz BGCRPXUPTRPGGX-MSOLQXFVSA-N 2 1 316.514 3.336 20 0 DGADMP CC[NH+](CC)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255113960 1106182727 /nfs/dbraw/zinc/18/27/27/1106182727.db2.gz BTZCCDJLYMELHR-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001255121594 1106184309 /nfs/dbraw/zinc/18/43/09/1106184309.db2.gz DODOVTQEGBDOPI-LDLYASANSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127142 1106184760 /nfs/dbraw/zinc/18/47/60/1106184760.db2.gz RCBPVYCIMSUBBT-QLIIJSOBSA-N 2 1 322.456 3.323 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001255127142 1106184762 /nfs/dbraw/zinc/18/47/62/1106184762.db2.gz RCBPVYCIMSUBBT-QLIIJSOBSA-N 2 1 322.456 3.323 20 0 DGADMP O=c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH]1 ZINC001255126465 1106184922 /nfs/dbraw/zinc/18/49/22/1106184922.db2.gz MPLJOHMOYQBIMU-LDLYASANSA-N 2 1 323.440 3.072 20 0 DGADMP C[C@@]1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001255137662 1106187602 /nfs/dbraw/zinc/18/76/02/1106187602.db2.gz ZXHAHWWSNHPRMD-IYWMVGAKSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255145762 1106189563 /nfs/dbraw/zinc/18/95/63/1106189563.db2.gz UEUUTRMCAFJMMJ-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255145762 1106189565 /nfs/dbraw/zinc/18/95/65/1106189565.db2.gz UEUUTRMCAFJMMJ-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP C[C@@]1(O)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145762 1106189567 /nfs/dbraw/zinc/18/95/67/1106189567.db2.gz UEUUTRMCAFJMMJ-IYWMVGAKSA-N 2 1 314.473 3.029 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255255448 1106211242 /nfs/dbraw/zinc/21/12/42/1106211242.db2.gz YUNQGKYFCMQNQJ-QXINMDOSSA-N 2 1 322.493 3.090 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCSC2)CC3)co1 ZINC001255287990 1106215884 /nfs/dbraw/zinc/21/58/84/1106215884.db2.gz ZNVKBCKNFQPLHP-INIZCTEOSA-N 2 1 306.475 3.073 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255292630 1106216949 /nfs/dbraw/zinc/21/69/49/1106216949.db2.gz HATQWLRELLBJGE-QGZVFWFLSA-N 2 1 308.466 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255292630 1106216952 /nfs/dbraw/zinc/21/69/52/1106216952.db2.gz HATQWLRELLBJGE-QGZVFWFLSA-N 2 1 308.466 3.227 20 0 DGADMP CCCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001255314061 1106220925 /nfs/dbraw/zinc/22/09/25/1106220925.db2.gz VVIZIYRGJADVOQ-KRWDZBQOSA-N 2 1 303.494 3.102 20 0 DGADMP c1ncc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC001255376214 1106235114 /nfs/dbraw/zinc/23/51/14/1106235114.db2.gz AINFCSAWRQYFFX-MRXNPFEDSA-N 2 1 301.459 3.287 20 0 DGADMP c1ncc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001255376214 1106235119 /nfs/dbraw/zinc/23/51/19/1106235119.db2.gz AINFCSAWRQYFFX-MRXNPFEDSA-N 2 1 301.459 3.287 20 0 DGADMP c1csc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255382218 1106236837 /nfs/dbraw/zinc/23/68/37/1106236837.db2.gz SXSJFEKVMGAVGT-QGZVFWFLSA-N 2 1 315.486 3.330 20 0 DGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255385315 1106237438 /nfs/dbraw/zinc/23/74/38/1106237438.db2.gz GJYFOBXTWBKOJY-IOJLRTSASA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255385315 1106237443 /nfs/dbraw/zinc/23/74/43/1106237443.db2.gz GJYFOBXTWBKOJY-IOJLRTSASA-N 3 1 315.505 3.243 20 0 DGADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255385315 1106237446 /nfs/dbraw/zinc/23/74/46/1106237446.db2.gz GJYFOBXTWBKOJY-IOJLRTSASA-N 2 1 315.505 3.243 20 0 DGADMP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255385315 1106237450 /nfs/dbraw/zinc/23/74/50/1106237450.db2.gz GJYFOBXTWBKOJY-IOJLRTSASA-N 2 1 315.505 3.243 20 0 DGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255385315 1106237456 /nfs/dbraw/zinc/23/74/56/1106237456.db2.gz GJYFOBXTWBKOJY-IOJLRTSASA-N 2 1 315.505 3.243 20 0 DGADMP C[C@@H](C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384178 1106237896 /nfs/dbraw/zinc/23/78/96/1106237896.db2.gz UZMWUVDMOFQZPN-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255386306 1106238007 /nfs/dbraw/zinc/23/80/07/1106238007.db2.gz LWJDRLSBNBLUJX-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386306 1106238008 /nfs/dbraw/zinc/23/80/08/1106238008.db2.gz LWJDRLSBNBLUJX-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255386306 1106238010 /nfs/dbraw/zinc/23/80/10/1106238010.db2.gz LWJDRLSBNBLUJX-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)N1CC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255386306 1106238011 /nfs/dbraw/zinc/23/80/11/1106238011.db2.gz LWJDRLSBNBLUJX-VQTJNVASSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255392198 1106239479 /nfs/dbraw/zinc/23/94/79/1106239479.db2.gz GRZLCKGGUQFGOS-QRQLOZEOSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@]1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCOC1 ZINC001255396896 1106240229 /nfs/dbraw/zinc/24/02/29/1106240229.db2.gz LKCZZCBZRXFNNP-MOPGFXCFSA-N 2 1 302.462 3.200 20 0 DGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393282 1106240748 /nfs/dbraw/zinc/24/07/48/1106240748.db2.gz NBCCLCZIIMPAIR-IEBWSBKVSA-N 2 1 324.472 3.052 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397062 1106240807 /nfs/dbraw/zinc/24/08/07/1106240807.db2.gz DLHTWYHYVQDFJC-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@]1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCOC1 ZINC001255396898 1106241566 /nfs/dbraw/zinc/24/15/66/1106241566.db2.gz LKCZZCBZRXFNNP-RBUKOAKNSA-N 2 1 302.462 3.200 20 0 DGADMP COC1CC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398770 1106242841 /nfs/dbraw/zinc/24/28/41/1106242841.db2.gz XREBCANSKHYTBZ-JLAWEPINSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3C[C@]34CCCOC4)CC2)cc1 ZINC001255399027 1106243030 /nfs/dbraw/zinc/24/30/30/1106243030.db2.gz YKKWEMPXGHLCND-ZCNNSNEGSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC4(C3)CCCOC4)CC2)cc1 ZINC001255401011 1106244289 /nfs/dbraw/zinc/24/42/89/1106244289.db2.gz QOTUTKUQHQIXFQ-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001255400168 1106244739 /nfs/dbraw/zinc/24/47/39/1106244739.db2.gz GZDSMLARZHMOLE-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001255400168 1106244743 /nfs/dbraw/zinc/24/47/43/1106244743.db2.gz GZDSMLARZHMOLE-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001255400168 1106244744 /nfs/dbraw/zinc/24/47/44/1106244744.db2.gz GZDSMLARZHMOLE-VQTJNVASSA-N 2 1 314.473 3.154 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410561 1106247869 /nfs/dbraw/zinc/24/78/69/1106247869.db2.gz ZDGLUCWWSJQPHR-APWZRJJASA-N 2 1 302.462 3.008 20 0 DGADMP Cc1cc2c(s1)N([C@H]1CC[N@H+](C)C1)c1ccccc1NC2=N ZINC001255413398 1106248028 /nfs/dbraw/zinc/24/80/28/1106248028.db2.gz ZLFKOWDTKZWZGP-LBPRGKRZSA-N 2 1 312.442 3.249 20 0 DGADMP Cc1cc2c(s1)N([C@H]1CC[N@@H+](C)C1)c1ccccc1NC2=[NH2+] ZINC001255413398 1106248031 /nfs/dbraw/zinc/24/80/31/1106248031.db2.gz ZLFKOWDTKZWZGP-LBPRGKRZSA-N 2 1 312.442 3.249 20 0 DGADMP Cc1cc2c(s1)N([C@H]1CC[N@H+](C)C1)c1ccccc1NC2=[NH2+] ZINC001255413398 1106248035 /nfs/dbraw/zinc/24/80/35/1106248035.db2.gz ZLFKOWDTKZWZGP-LBPRGKRZSA-N 2 1 312.442 3.249 20 0 DGADMP C[N@H+]1CCN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409399 1106248199 /nfs/dbraw/zinc/24/81/99/1106248199.db2.gz XCZQUJSXEKXBGU-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409399 1106248202 /nfs/dbraw/zinc/24/82/02/1106248202.db2.gz XCZQUJSXEKXBGU-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+]1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409399 1106248205 /nfs/dbraw/zinc/24/82/05/1106248205.db2.gz XCZQUJSXEKXBGU-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP COC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001255459890 1106253522 /nfs/dbraw/zinc/25/35/22/1106253522.db2.gz XOESKNZGOIVDKV-JUVOFCAFSA-N 2 1 320.502 3.069 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001255485806 1106257089 /nfs/dbraw/zinc/25/70/89/1106257089.db2.gz GORNZKRZSGGAAG-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001255485806 1106257094 /nfs/dbraw/zinc/25/70/94/1106257094.db2.gz GORNZKRZSGGAAG-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001255485806 1106257096 /nfs/dbraw/zinc/25/70/96/1106257096.db2.gz GORNZKRZSGGAAG-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@@H](n2c3ccc(Cl)cc3c3c2CC[NH2+]C3)C1 ZINC001255487937 1106257632 /nfs/dbraw/zinc/25/76/32/1106257632.db2.gz WMVFGLYXOBRNQE-CYBMUJFWSA-N 2 1 303.837 3.207 20 0 DGADMP CC1(C)C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255534066 1106265598 /nfs/dbraw/zinc/26/55/98/1106265598.db2.gz OYXWMFWZMBKDCG-BZSNNMDCSA-N 2 1 317.477 3.111 20 0 DGADMP CSc1ccccc1OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255672001 1106291690 /nfs/dbraw/zinc/29/16/90/1106291690.db2.gz UGCZRUZIJJFQFS-MQVJKMGUSA-N 2 1 320.502 3.392 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CSc3ccc(F)cc3)C[C@@H]2C1 ZINC001255751126 1106309344 /nfs/dbraw/zinc/30/93/44/1106309344.db2.gz MWPXYCCONDSQJR-SOUVJXGZSA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CSc3ccc(F)cc3)C[C@@H]2C1 ZINC001255751126 1106309348 /nfs/dbraw/zinc/30/93/48/1106309348.db2.gz MWPXYCCONDSQJR-SOUVJXGZSA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CSc3ccc(F)cc3)C[C@@H]2C1 ZINC001255751126 1106309352 /nfs/dbraw/zinc/30/93/52/1106309352.db2.gz MWPXYCCONDSQJR-SOUVJXGZSA-N 2 1 308.466 3.190 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccncc1OC)C1CC1 ZINC001255955705 1106349640 /nfs/dbraw/zinc/34/96/40/1106349640.db2.gz WZFGTRMGMGSEFB-KSSFIOAISA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1ccc(OC)c(OC)c1 ZINC001255957021 1106349866 /nfs/dbraw/zinc/34/98/66/1106349866.db2.gz OEVPDRNROOYGFM-INIZCTEOSA-N 2 1 322.493 3.299 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H](C)CC[NH+](CC)CC)C1 ZINC001255957616 1106350011 /nfs/dbraw/zinc/35/00/11/1106350011.db2.gz SVGBDZZDOKOANE-FUHWJXTLSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1cncc(OC)c1)C1CC1 ZINC001255955512 1106350046 /nfs/dbraw/zinc/35/00/46/1106350046.db2.gz VBNCZCMPJBVJPA-RDTXWAMCSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001255955777 1106350078 /nfs/dbraw/zinc/35/00/78/1106350078.db2.gz DNNCPNBYTHCSJU-ILXRZTDVSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001255955777 1106350081 /nfs/dbraw/zinc/35/00/81/1106350081.db2.gz DNNCPNBYTHCSJU-ILXRZTDVSA-N 2 1 324.431 3.132 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2ccccn2)CC1 ZINC001255960791 1106350561 /nfs/dbraw/zinc/35/05/61/1106350561.db2.gz JAISWEVBHLKECT-INIZCTEOSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001255964410 1106350679 /nfs/dbraw/zinc/35/06/79/1106350679.db2.gz RZLZHFZIHVDGLH-GOSISDBHSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001255962224 1106351028 /nfs/dbraw/zinc/35/10/28/1106351028.db2.gz SFBRUKXPCARRSE-MAUKXSAKSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001255962224 1106351035 /nfs/dbraw/zinc/35/10/35/1106351035.db2.gz SFBRUKXPCARRSE-MAUKXSAKSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001255969059 1106352184 /nfs/dbraw/zinc/35/21/84/1106352184.db2.gz SQYMBRKGTICZJN-MSOLQXFVSA-N 2 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001255970541 1106352224 /nfs/dbraw/zinc/35/22/24/1106352224.db2.gz DDSJEYPLOXPFGX-QGZVFWFLSA-N 2 1 314.477 3.466 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001255972287 1106352909 /nfs/dbraw/zinc/35/29/09/1106352909.db2.gz OVPPVIWBOFAVPX-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001255972287 1106352912 /nfs/dbraw/zinc/35/29/12/1106352912.db2.gz OVPPVIWBOFAVPX-CVEARBPZSA-N 2 1 312.498 3.161 20 0 DGADMP COc1cccc(CC2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC001256071783 1106363923 /nfs/dbraw/zinc/36/39/23/1106363923.db2.gz OZDUDHYDTCNDLN-UHFFFAOYSA-N 2 1 314.473 3.377 20 0 DGADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC001256069194 1106364049 /nfs/dbraw/zinc/36/40/49/1106364049.db2.gz UNDNFPCSBHZHMF-OAQYLSRUSA-N 2 1 324.468 3.480 20 0 DGADMP CSc1ccccc1OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071480 1106364304 /nfs/dbraw/zinc/36/43/04/1106364304.db2.gz ZOSHTLSJEPMNGR-UHFFFAOYSA-N 2 1 306.475 3.004 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001256069677 1106364427 /nfs/dbraw/zinc/36/44/27/1106364427.db2.gz MBURUAHPAVZULP-KRWDZBQOSA-N 2 1 304.865 3.414 20 0 DGADMP c1ccc2c(c1)COC21CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256077841 1106366619 /nfs/dbraw/zinc/36/66/19/1106366619.db2.gz RTXSFEFOBVUGHN-UHFFFAOYSA-N 2 1 312.457 3.135 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001256153191 1106379305 /nfs/dbraw/zinc/37/93/05/1106379305.db2.gz UPQRONFFKVMFCM-APWZRJJASA-N 2 1 316.489 3.480 20 0 DGADMP C[NH+]1CCC([N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001256205097 1106389747 /nfs/dbraw/zinc/38/97/47/1106389747.db2.gz PSFCJRBLJSHMPB-ICSRJNTNSA-N 2 1 314.473 3.119 20 0 DGADMP C[NH+]1CCC([N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001256205097 1106389749 /nfs/dbraw/zinc/38/97/49/1106389749.db2.gz PSFCJRBLJSHMPB-ICSRJNTNSA-N 2 1 314.473 3.119 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001256213579 1106392142 /nfs/dbraw/zinc/39/21/42/1106392142.db2.gz ZOPIJZMCWPTDQT-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001256213579 1106392145 /nfs/dbraw/zinc/39/21/45/1106392145.db2.gz ZOPIJZMCWPTDQT-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP CC(C)CC[C@@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001256364112 1106409856 /nfs/dbraw/zinc/40/98/56/1106409856.db2.gz GUALNYAPOKKSDH-QGZVFWFLSA-N 2 1 318.509 3.162 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC001256521894 1106432926 /nfs/dbraw/zinc/43/29/26/1106432926.db2.gz AUQYIDCUELNDHF-IEBWSBKVSA-N 2 1 311.473 3.476 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC001256521894 1106432932 /nfs/dbraw/zinc/43/29/32/1106432932.db2.gz AUQYIDCUELNDHF-IEBWSBKVSA-N 2 1 311.473 3.476 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523504 1106433262 /nfs/dbraw/zinc/43/32/62/1106433262.db2.gz PGEMKXHPMXWSME-OGWHTMIXSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523504 1106433265 /nfs/dbraw/zinc/43/32/65/1106433265.db2.gz PGEMKXHPMXWSME-OGWHTMIXSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC001256525870 1106434307 /nfs/dbraw/zinc/43/43/07/1106434307.db2.gz GFIGXQPYTVZRMO-NJAFHUGGSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC001256525870 1106434308 /nfs/dbraw/zinc/43/43/08/1106434308.db2.gz GFIGXQPYTVZRMO-NJAFHUGGSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256529068 1106434785 /nfs/dbraw/zinc/43/47/85/1106434785.db2.gz PWRIOVJTXIQSSL-SJLPKXTDSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256529068 1106434786 /nfs/dbraw/zinc/43/47/86/1106434786.db2.gz PWRIOVJTXIQSSL-SJLPKXTDSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535988 1106436932 /nfs/dbraw/zinc/43/69/32/1106436932.db2.gz BKFIDWKIJGLKRM-LEAZDLGRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535988 1106436936 /nfs/dbraw/zinc/43/69/36/1106436936.db2.gz BKFIDWKIJGLKRM-LEAZDLGRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535988 1106436938 /nfs/dbraw/zinc/43/69/38/1106436938.db2.gz BKFIDWKIJGLKRM-LEAZDLGRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535988 1106436940 /nfs/dbraw/zinc/43/69/40/1106436940.db2.gz BKFIDWKIJGLKRM-LEAZDLGRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536123 1106437012 /nfs/dbraw/zinc/43/70/12/1106437012.db2.gz FKLKDOYROPQCIK-LPHOPBHVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536123 1106437014 /nfs/dbraw/zinc/43/70/14/1106437014.db2.gz FKLKDOYROPQCIK-LPHOPBHVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536123 1106437017 /nfs/dbraw/zinc/43/70/17/1106437017.db2.gz FKLKDOYROPQCIK-LPHOPBHVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)C2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC001256536123 1106437019 /nfs/dbraw/zinc/43/70/19/1106437019.db2.gz FKLKDOYROPQCIK-LPHOPBHVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537300 1106437153 /nfs/dbraw/zinc/43/71/53/1106437153.db2.gz NUCDRHZRTOIHRK-XEYPJELSSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256537300 1106437155 /nfs/dbraw/zinc/43/71/55/1106437155.db2.gz NUCDRHZRTOIHRK-XEYPJELSSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCO[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256540710 1106437644 /nfs/dbraw/zinc/43/76/44/1106437644.db2.gz JOHJJZVXGLTSQR-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256540710 1106437648 /nfs/dbraw/zinc/43/76/48/1106437648.db2.gz JOHJJZVXGLTSQR-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540710 1106437653 /nfs/dbraw/zinc/43/76/53/1106437653.db2.gz JOHJJZVXGLTSQR-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256540710 1106437655 /nfs/dbraw/zinc/43/76/55/1106437655.db2.gz JOHJJZVXGLTSQR-ZHALLVOQSA-N 2 1 302.462 3.150 20 0 DGADMP CCN(CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552258 1106440785 /nfs/dbraw/zinc/44/07/85/1106440785.db2.gz ATMKDIPJSZWKMP-ICSRJNTNSA-N 3 1 317.521 3.313 20 0 DGADMP COCC[N@@H+](C(C)C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256551700 1106440938 /nfs/dbraw/zinc/44/09/38/1106440938.db2.gz UVRMXHNTTBNMAW-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@H+](C(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551700 1106440942 /nfs/dbraw/zinc/44/09/42/1106440942.db2.gz UVRMXHNTTBNMAW-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@@H+](C(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551700 1106440946 /nfs/dbraw/zinc/44/09/46/1106440946.db2.gz UVRMXHNTTBNMAW-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551700 1106440948 /nfs/dbraw/zinc/44/09/48/1106440948.db2.gz UVRMXHNTTBNMAW-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551700 1106440952 /nfs/dbraw/zinc/44/09/52/1106440952.db2.gz UVRMXHNTTBNMAW-HKUYNNGSSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256551703 1106441378 /nfs/dbraw/zinc/44/13/78/1106441378.db2.gz UVRMXHNTTBNMAW-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@H+](C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551703 1106441380 /nfs/dbraw/zinc/44/13/80/1106441380.db2.gz UVRMXHNTTBNMAW-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[N@@H+](C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551703 1106441382 /nfs/dbraw/zinc/44/13/82/1106441382.db2.gz UVRMXHNTTBNMAW-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551703 1106441383 /nfs/dbraw/zinc/44/13/83/1106441383.db2.gz UVRMXHNTTBNMAW-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP COCC[NH+](C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256551703 1106441386 /nfs/dbraw/zinc/44/13/86/1106441386.db2.gz UVRMXHNTTBNMAW-PKOBYXMFSA-N 2 1 304.478 3.396 20 0 DGADMP CCC1(O)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552944 1106442305 /nfs/dbraw/zinc/44/23/05/1106442305.db2.gz FTMHSLAAXYJWEY-PKOBYXMFSA-N 2 1 316.489 3.276 20 0 DGADMP CCC1(O)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552944 1106442307 /nfs/dbraw/zinc/44/23/07/1106442307.db2.gz FTMHSLAAXYJWEY-PKOBYXMFSA-N 2 1 316.489 3.276 20 0 DGADMP Cc1cc2c(cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OCCO2 ZINC001256554335 1106442348 /nfs/dbraw/zinc/44/23/48/1106442348.db2.gz GPVRIJRXDOYAOL-UHFFFAOYSA-N 2 1 318.461 3.119 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256554666 1106442793 /nfs/dbraw/zinc/44/27/93/1106442793.db2.gz LDACEJHMZOJFLN-CQSZACIVSA-N 2 1 318.461 3.387 20 0 DGADMP CC(C)(C)N1CCC([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001256562604 1106445929 /nfs/dbraw/zinc/44/59/29/1106445929.db2.gz XPZMMPSKBAYGNV-LPHOPBHVSA-N 2 1 309.542 3.383 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569529 1106447525 /nfs/dbraw/zinc/44/75/25/1106447525.db2.gz ISJDAFDDLKWPEE-IBGZPJMESA-N 2 1 324.509 3.305 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(Oc3cccnc3)CC2)CC1 ZINC001256571911 1106447673 /nfs/dbraw/zinc/44/76/73/1106447673.db2.gz MNAHRZZJQYFKPO-UHFFFAOYSA-N 2 1 317.477 3.188 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256577501 1106449147 /nfs/dbraw/zinc/44/91/47/1106449147.db2.gz NRBMHBLQWKEETJ-QGZVFWFLSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccnc1O[C@@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256577501 1106449150 /nfs/dbraw/zinc/44/91/50/1106449150.db2.gz NRBMHBLQWKEETJ-QGZVFWFLSA-N 2 1 317.477 3.106 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C3(C4CCOCC4)CC3)CC2)cc1 ZINC001256598115 1106451835 /nfs/dbraw/zinc/45/18/35/1106451835.db2.gz LPVLJSQUSHHFNG-UHFFFAOYSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@]4(C3)CCCCO4)CC2)cc1 ZINC001256605756 1106452442 /nfs/dbraw/zinc/45/24/42/1106452442.db2.gz LFUSVEILURXKAR-HXUWFJFHSA-N 2 1 314.473 3.296 20 0 DGADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@]4(C3)CCCCO4)CC2)cc1 ZINC001256605756 1106452446 /nfs/dbraw/zinc/45/24/46/1106452446.db2.gz LFUSVEILURXKAR-HXUWFJFHSA-N 2 1 314.473 3.296 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608606 1106453014 /nfs/dbraw/zinc/45/30/14/1106453014.db2.gz FQIBGFHSFNSMPM-LJQANCHMSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608606 1106453016 /nfs/dbraw/zinc/45/30/16/1106453016.db2.gz FQIBGFHSFNSMPM-LJQANCHMSA-N 2 1 302.462 3.150 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC001256614610 1106454662 /nfs/dbraw/zinc/45/46/62/1106454662.db2.gz ACKKCNLAIBULFQ-CTXDPNEZSA-N 2 1 324.472 3.204 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C)C2 ZINC001256643543 1106460673 /nfs/dbraw/zinc/46/06/73/1106460673.db2.gz NUNRFFCUCRKFII-VDZJLULYSA-N 2 1 316.489 3.261 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001256643527 1106460898 /nfs/dbraw/zinc/46/08/98/1106460898.db2.gz NLDCSSMROGEEMK-FUHWJXTLSA-N 2 1 316.489 3.394 20 0 DGADMP C[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)Cc2ccccc21 ZINC001256689138 1106469898 /nfs/dbraw/zinc/46/98/98/1106469898.db2.gz QLPJQYJEYZIITH-IPJUCJBFSA-N 2 1 314.473 3.249 20 0 DGADMP C[C@H](Cc1ccncc1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001256727550 1106474691 /nfs/dbraw/zinc/47/46/91/1106474691.db2.gz BLJJTRJQYZFNRF-OAHLLOKOSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001256743255 1106477958 /nfs/dbraw/zinc/47/79/58/1106477958.db2.gz SAQQVNZCSJRVJB-HKUYNNGSSA-N 2 1 301.478 3.353 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256745065 1106478952 /nfs/dbraw/zinc/47/89/52/1106478952.db2.gz GBMPEHMUNDFDID-GHTZIAJQSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256745065 1106478956 /nfs/dbraw/zinc/47/89/56/1106478956.db2.gz GBMPEHMUNDFDID-GHTZIAJQSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256745065 1106478959 /nfs/dbraw/zinc/47/89/59/1106478959.db2.gz GBMPEHMUNDFDID-GHTZIAJQSA-N 2 1 323.484 3.467 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256819430 1106490026 /nfs/dbraw/zinc/49/00/26/1106490026.db2.gz CAXNLYTYHRKDOI-WOJBJXKFSA-N 2 1 314.473 3.465 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256861018 1106498557 /nfs/dbraw/zinc/49/85/57/1106498557.db2.gz KONVCWXXGCJBGL-UHFFFAOYSA-N 2 1 309.413 3.075 20 0 DGADMP C[N@@H+](CCc1ccc(F)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860773 1106498904 /nfs/dbraw/zinc/49/89/04/1106498904.db2.gz FXLYATWHLKKBAX-UHFFFAOYSA-N 2 1 313.420 3.364 20 0 DGADMP c1cc([C@@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC001256860572 1106499136 /nfs/dbraw/zinc/49/91/36/1106499136.db2.gz FTEQUZZPSSGZNK-IBGZPJMESA-N 2 1 308.429 3.283 20 0 DGADMP COc1cccc2c1C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256862585 1106499714 /nfs/dbraw/zinc/49/97/14/1106499714.db2.gz OOIOAWKEVJZPHL-UHFFFAOYSA-N 2 1 309.413 3.075 20 0 DGADMP COC(=O)CCCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895117 1106503640 /nfs/dbraw/zinc/50/36/40/1106503640.db2.gz RBSVXWWLNYYRQC-INIZCTEOSA-N 2 1 310.482 3.107 20 0 DGADMP COC(=O)CCCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895117 1106503643 /nfs/dbraw/zinc/50/36/43/1106503643.db2.gz RBSVXWWLNYYRQC-INIZCTEOSA-N 2 1 310.482 3.107 20 0 DGADMP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256896228 1106503671 /nfs/dbraw/zinc/50/36/71/1106503671.db2.gz ACAUBIJHMHKXRS-SFHVURJKSA-N 3 1 307.526 3.103 20 0 DGADMP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256896228 1106503673 /nfs/dbraw/zinc/50/36/73/1106503673.db2.gz ACAUBIJHMHKXRS-SFHVURJKSA-N 3 1 307.526 3.103 20 0 DGADMP Cc1cccnc1CCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895766 1106503682 /nfs/dbraw/zinc/50/36/82/1106503682.db2.gz YGHYKQKHMLXQAA-QGZVFWFLSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1cccnc1CCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895766 1106503684 /nfs/dbraw/zinc/50/36/84/1106503684.db2.gz YGHYKQKHMLXQAA-QGZVFWFLSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1cccnc1CCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895761 1106503815 /nfs/dbraw/zinc/50/38/15/1106503815.db2.gz YGHYKQKHMLXQAA-KRWDZBQOSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1cccnc1CCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895761 1106503819 /nfs/dbraw/zinc/50/38/19/1106503819.db2.gz YGHYKQKHMLXQAA-KRWDZBQOSA-N 2 1 301.478 3.319 20 0 DGADMP [NH2+]=C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(Cl)nc1 ZINC001256896703 1106505228 /nfs/dbraw/zinc/50/52/28/1106505228.db2.gz DHPDOUVAYZJUJN-CYBMUJFWSA-N 2 1 306.841 3.057 20 0 DGADMP [NH3+]CCc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c2cccnc12 ZINC001256902029 1106506931 /nfs/dbraw/zinc/50/69/31/1106506931.db2.gz OKAUXACDNFVZIV-KRWDZBQOSA-N 2 1 312.461 3.117 20 0 DGADMP CC(C)C[NH+]1CCC(N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256905584 1106508233 /nfs/dbraw/zinc/50/82/33/1106508233.db2.gz UEMJFMHBIFQMLV-SFHVURJKSA-N 2 1 307.526 3.103 20 0 DGADMP C(C1CCCC1)[NH+]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256916973 1106511567 /nfs/dbraw/zinc/51/15/67/1106511567.db2.gz IPLGMQNDAXXHRZ-HXUWFJFHSA-N 2 1 319.537 3.201 20 0 DGADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257047426 1106530071 /nfs/dbraw/zinc/53/00/71/1106530071.db2.gz KNISHBYUZUGIDF-LAQRGFTBSA-N 2 1 324.509 3.479 20 0 DGADMP C[C@H]1CC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C[C@H](C)O1 ZINC001257081447 1106535472 /nfs/dbraw/zinc/53/54/72/1106535472.db2.gz RTNIJCHSCUKTFZ-KBPBESRZSA-N 2 1 306.425 3.032 20 0 DGADMP C[C@@H]1CC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001257084824 1106535983 /nfs/dbraw/zinc/53/59/83/1106535983.db2.gz GBALTIBEPJMBEH-YFHUEUNASA-N 2 1 317.477 3.110 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@H](C)O1 ZINC001257091966 1106536935 /nfs/dbraw/zinc/53/69/35/1106536935.db2.gz LVVGLVZMQPQVNX-KFESYUHLSA-N 2 1 320.502 3.068 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@H](C)O1 ZINC001257091966 1106536939 /nfs/dbraw/zinc/53/69/39/1106536939.db2.gz LVVGLVZMQPQVNX-KFESYUHLSA-N 2 1 320.502 3.068 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C[C@H](C)O1 ZINC001257091966 1106536942 /nfs/dbraw/zinc/53/69/42/1106536942.db2.gz LVVGLVZMQPQVNX-KFESYUHLSA-N 2 1 320.502 3.068 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C[C@H](C)O1 ZINC001257091966 1106536947 /nfs/dbraw/zinc/53/69/47/1106536947.db2.gz LVVGLVZMQPQVNX-KFESYUHLSA-N 2 1 320.502 3.068 20 0 DGADMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001257216743 1106553522 /nfs/dbraw/zinc/55/35/22/1106553522.db2.gz HXPQVWRXAMKIAS-SFHVURJKSA-N 2 1 315.505 3.066 20 0 DGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257413089 1106583706 /nfs/dbraw/zinc/58/37/06/1106583706.db2.gz SNUPDPSZHIINRV-AABGKKOBSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257413089 1106583709 /nfs/dbraw/zinc/58/37/09/1106583709.db2.gz SNUPDPSZHIINRV-AABGKKOBSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001257444151 1106590357 /nfs/dbraw/zinc/59/03/57/1106590357.db2.gz GVEYDDWLHDGEON-SFHVURJKSA-N 2 1 316.489 3.460 20 0 DGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001257455960 1106593072 /nfs/dbraw/zinc/59/30/72/1106593072.db2.gz OZADAKLMOFHYFP-UHFFFAOYSA-N 2 1 322.493 3.059 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccc(Br)cc1 ZINC001257555835 1106604926 /nfs/dbraw/zinc/60/49/26/1106604926.db2.gz ROVVMIRGTXLQFA-LLVKDONJSA-N 2 1 322.250 3.259 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@H]4CCCSC4)C3)C2)cc1 ZINC001257675813 1106618660 /nfs/dbraw/zinc/61/86/60/1106618660.db2.gz FRTLEOXBHBGSPV-RBUKOAKNSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@H]4CCCSC4)C3)C2)cc1 ZINC001257675813 1106618661 /nfs/dbraw/zinc/61/86/61/1106618661.db2.gz FRTLEOXBHBGSPV-RBUKOAKNSA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@H]4CCCSC4)C3)C2)cc1 ZINC001257675813 1106618663 /nfs/dbraw/zinc/61/86/63/1106618663.db2.gz FRTLEOXBHBGSPV-RBUKOAKNSA-N 2 1 316.514 3.480 20 0 DGADMP [NH3+]CCCc1[nH+]ccn1C1CCC(OCc2ccccc2)CC1 ZINC001257829526 1106632439 /nfs/dbraw/zinc/63/24/39/1106632439.db2.gz QWWADQCKDQRHNJ-UHFFFAOYSA-N 2 1 313.445 3.475 20 0 DGADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2CCC3(COC3)CC2)CC1 ZINC001257902741 1106644602 /nfs/dbraw/zinc/64/46/02/1106644602.db2.gz LBTQXUCYCSTJNZ-UHFFFAOYSA-N 2 1 318.436 3.035 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001258002602 1106655938 /nfs/dbraw/zinc/65/59/38/1106655938.db2.gz SEROHBHYYXORQC-UHFFFAOYSA-N 2 1 315.383 3.310 20 0 DGADMP COc1ccc(C2([NH2+]C3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC001258008067 1106657509 /nfs/dbraw/zinc/65/75/09/1106657509.db2.gz CEPOBPXYPVQOGL-UHFFFAOYSA-N 2 1 302.462 3.394 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001258014445 1106658396 /nfs/dbraw/zinc/65/83/96/1106658396.db2.gz KMSWVQQMFUUVLM-FQEVSTJZSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001258018953 1106659360 /nfs/dbraw/zinc/65/93/60/1106659360.db2.gz XHAXSZCFDBLXSV-LJQANCHMSA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001258018953 1106659362 /nfs/dbraw/zinc/65/93/62/1106659362.db2.gz XHAXSZCFDBLXSV-LJQANCHMSA-N 2 1 317.477 3.045 20 0 DGADMP CCOC(=O)CC1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001258024224 1106660712 /nfs/dbraw/zinc/66/07/12/1106660712.db2.gz RXMZHIORZUPNRE-UHFFFAOYSA-N 2 1 324.509 3.482 20 0 DGADMP CCOC(=O)CC1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258028493 1106661561 /nfs/dbraw/zinc/66/15/61/1106661561.db2.gz FXDAQXCYXISHJB-QXINMDOSSA-N 2 1 324.509 3.479 20 0 DGADMP CCOC(=O)CC1CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001258037175 1106663194 /nfs/dbraw/zinc/66/31/94/1106663194.db2.gz KMSJQHYIRLPBPM-UHFFFAOYSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258112888 1106675420 /nfs/dbraw/zinc/67/54/20/1106675420.db2.gz JDNGXKRPWSGWIO-ULQDDVLXSA-N 2 1 312.498 3.336 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)C1 ZINC001258151311 1106680936 /nfs/dbraw/zinc/68/09/36/1106680936.db2.gz IYENHDXQWYUCRT-IRXDYDNUSA-N 2 1 316.489 3.433 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147895 1106681001 /nfs/dbraw/zinc/68/10/01/1106681001.db2.gz VSOJKHQDOYFHST-HXUWFJFHSA-N 2 1 316.489 3.193 20 0 DGADMP CC(C)O[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147895 1106681005 /nfs/dbraw/zinc/68/10/05/1106681005.db2.gz VSOJKHQDOYFHST-HXUWFJFHSA-N 2 1 316.489 3.193 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn(C2C[C@@H](C)C[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001258160313 1106683746 /nfs/dbraw/zinc/68/37/46/1106683746.db2.gz RTJPODAIGHOTFC-GJZGRUSLSA-N 2 1 318.509 3.366 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001258167022 1106685570 /nfs/dbraw/zinc/68/55/70/1106685570.db2.gz FLUVYPFDKCZECA-JFIYKMOQSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258190112 1106692124 /nfs/dbraw/zinc/69/21/24/1106692124.db2.gz UPVHARPTUJNCCB-HOTGVXAUSA-N 2 1 320.477 3.222 20 0 DGADMP C[C@@H](Cc1ccco1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258193002 1106693208 /nfs/dbraw/zinc/69/32/08/1106693208.db2.gz RVRRSPYRSCZQAN-YTQUADARSA-N 2 1 310.441 3.274 20 0 DGADMP C[C@@H](Cc1ccco1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258193002 1106693212 /nfs/dbraw/zinc/69/32/12/1106693212.db2.gz RVRRSPYRSCZQAN-YTQUADARSA-N 2 1 310.441 3.274 20 0 DGADMP C[C@@H](Cc1ccco1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258193002 1106693214 /nfs/dbraw/zinc/69/32/14/1106693214.db2.gz RVRRSPYRSCZQAN-YTQUADARSA-N 2 1 310.441 3.274 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258484232 1106774343 /nfs/dbraw/zinc/77/43/43/1106774343.db2.gz XYNPVLYIWRTJJL-ZOBUZTSGSA-N 2 1 312.498 3.479 20 0 DGADMP c1[nH+]cn(C2CCN(c3ccccc3)CC2)c1C1CC[NH2+]CC1 ZINC001258515092 1106791075 /nfs/dbraw/zinc/79/10/75/1106791075.db2.gz GLAZPYRGCSRGFL-UHFFFAOYSA-N 2 1 310.445 3.192 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](C2CCN(c3ccccc3)CC2)CC1 ZINC001258516477 1106791820 /nfs/dbraw/zinc/79/18/20/1106791820.db2.gz HKEOLSZDABHDRX-UHFFFAOYSA-N 2 1 301.478 3.072 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600154 1106840667 /nfs/dbraw/zinc/84/06/67/1106840667.db2.gz GVOPZIGNZOOCMB-IEBWSBKVSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600154 1106840681 /nfs/dbraw/zinc/84/06/81/1106840681.db2.gz GVOPZIGNZOOCMB-IEBWSBKVSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600154 1106840694 /nfs/dbraw/zinc/84/06/94/1106840694.db2.gz GVOPZIGNZOOCMB-IEBWSBKVSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258600154 1106840708 /nfs/dbraw/zinc/84/07/08/1106840708.db2.gz GVOPZIGNZOOCMB-IEBWSBKVSA-N 2 1 308.510 3.388 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCC(C)(C)C1)C2 ZINC001258603666 1106843129 /nfs/dbraw/zinc/84/31/29/1106843129.db2.gz MWGBIDAKYDJOMG-WSTZPKSXSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258603666 1106843142 /nfs/dbraw/zinc/84/31/42/1106843142.db2.gz MWGBIDAKYDJOMG-WSTZPKSXSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258603666 1106843153 /nfs/dbraw/zinc/84/31/53/1106843153.db2.gz MWGBIDAKYDJOMG-WSTZPKSXSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258610540 1106851436 /nfs/dbraw/zinc/85/14/36/1106851436.db2.gz PRODTKVHXAWGNB-YLJYHZDGSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258616761 1106854728 /nfs/dbraw/zinc/85/47/28/1106854728.db2.gz BHYIGHIKRVALEX-VDGAXYAQSA-N 2 1 324.472 3.180 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258710228 1106921751 /nfs/dbraw/zinc/92/17/51/1106921751.db2.gz PEVRDBTZYSTJCQ-FQEVSTJZSA-N 2 1 317.521 3.144 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)cc(OC)c2)CC1 ZINC001258768197 1106965365 /nfs/dbraw/zinc/96/53/65/1106965365.db2.gz CKLGURXIWPNKAM-AWEZNQCLSA-N 2 1 306.450 3.229 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001258769325 1106965485 /nfs/dbraw/zinc/96/54/85/1106965485.db2.gz LWWNIWNDWLVMIB-SFHVURJKSA-N 2 1 302.462 3.107 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001258773747 1106968029 /nfs/dbraw/zinc/96/80/29/1106968029.db2.gz AQBLBSZXRVVERQ-GOSISDBHSA-N 2 1 302.462 3.323 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001258773747 1106968038 /nfs/dbraw/zinc/96/80/38/1106968038.db2.gz AQBLBSZXRVVERQ-GOSISDBHSA-N 2 1 302.462 3.323 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCCc3ccc(OC)cc3C2)CC1 ZINC001258777535 1106970215 /nfs/dbraw/zinc/97/02/15/1106970215.db2.gz XEGWYBYFGJYQPW-UHFFFAOYSA-N 2 1 302.462 3.318 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCCc3ccc(OC)cc3C2)CC1 ZINC001258777535 1106970228 /nfs/dbraw/zinc/97/02/28/1106970228.db2.gz XEGWYBYFGJYQPW-UHFFFAOYSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001258807763 1106991502 /nfs/dbraw/zinc/99/15/02/1106991502.db2.gz UMIMBRHVFZHOSN-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821266 1107004913 /nfs/dbraw/zinc/00/49/13/1107004913.db2.gz VLBOVZJLFKWLBS-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821266 1107004929 /nfs/dbraw/zinc/00/49/29/1107004929.db2.gz VLBOVZJLFKWLBS-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821266 1107004945 /nfs/dbraw/zinc/00/49/45/1107004945.db2.gz VLBOVZJLFKWLBS-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001258821266 1107004961 /nfs/dbraw/zinc/00/49/61/1107004961.db2.gz VLBOVZJLFKWLBS-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258898607 1107046102 /nfs/dbraw/zinc/04/61/02/1107046102.db2.gz MVYMJEGNWGRSAU-JKSUJKDBSA-N 2 1 300.487 3.064 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001258908273 1107053789 /nfs/dbraw/zinc/05/37/89/1107053789.db2.gz UHQYYWSEALUIFO-GOEBONIOSA-N 2 1 308.470 3.068 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001258907717 1107053816 /nfs/dbraw/zinc/05/38/16/1107053816.db2.gz MXHUWSFHAPNACP-LSDHHAIUSA-N 2 1 324.431 3.276 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001258907145 1107054216 /nfs/dbraw/zinc/05/42/16/1107054216.db2.gz GORCXROUKQVEOA-RRFJBIMHSA-N 2 1 324.431 3.132 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001317172423 1107081449 /nfs/dbraw/zinc/08/14/49/1107081449.db2.gz GACQMRJCQUJNEZ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001317172423 1107081464 /nfs/dbraw/zinc/08/14/64/1107081464.db2.gz GACQMRJCQUJNEZ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317172423 1107081479 /nfs/dbraw/zinc/08/14/79/1107081479.db2.gz GACQMRJCQUJNEZ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Fc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC001320842591 1107159672 /nfs/dbraw/zinc/15/96/72/1107159672.db2.gz MDOLAJVAQUQSON-QGZVFWFLSA-N 2 1 308.416 3.458 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC001320842591 1107159676 /nfs/dbraw/zinc/15/96/76/1107159676.db2.gz MDOLAJVAQUQSON-QGZVFWFLSA-N 2 1 308.416 3.458 20 0 DGADMP Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc2ccccc12 ZINC001321367060 1107332091 /nfs/dbraw/zinc/33/20/91/1107332091.db2.gz QBMPTMKUHNTKNP-MRXNPFEDSA-N 2 1 313.445 3.312 20 0 DGADMP Cc1cc(NC[C@@H]2CN(CC(C)C)CCO2)nc2ccccc12 ZINC001321367060 1107332107 /nfs/dbraw/zinc/33/21/07/1107332107.db2.gz QBMPTMKUHNTKNP-MRXNPFEDSA-N 2 1 313.445 3.312 20 0 DGADMP c1ccc(CSCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001261483406 1107443139 /nfs/dbraw/zinc/44/31/39/1107443139.db2.gz SGKGJYRUPCNYJE-UHFFFAOYSA-N 2 1 304.503 3.385 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001261515707 1107458651 /nfs/dbraw/zinc/45/86/51/1107458651.db2.gz QFNYXCCSDLMZNT-FTUNRGFVSA-N 2 1 318.436 3.031 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001261829258 1107536437 /nfs/dbraw/zinc/53/64/37/1107536437.db2.gz JHVYOFXXGPLRON-UHFFFAOYSA-N 2 1 310.445 3.137 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001261829258 1107536446 /nfs/dbraw/zinc/53/64/46/1107536446.db2.gz JHVYOFXXGPLRON-UHFFFAOYSA-N 2 1 310.445 3.137 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)CC[C@H]1C(F)(F)F ZINC001261836547 1107541037 /nfs/dbraw/zinc/54/10/37/1107541037.db2.gz GDZPBQITVBICLJ-YVLXSGLVSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CC[C@H]1C(F)(F)F ZINC001261836547 1107541045 /nfs/dbraw/zinc/54/10/45/1107541045.db2.gz GDZPBQITVBICLJ-YVLXSGLVSA-N 2 1 316.342 3.272 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001261890994 1107557292 /nfs/dbraw/zinc/55/72/92/1107557292.db2.gz VXMKNFFTOUAACG-WBVHZDCISA-N 2 1 320.502 3.175 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4cnccc4c3)C[C@@H]2C1 ZINC001262378498 1107706694 /nfs/dbraw/zinc/70/66/94/1107706694.db2.gz DIXYVRSEHFTKNT-SLFFLAALSA-N 2 1 309.457 3.397 20 0 DGADMP COCc1csc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001262378935 1107707147 /nfs/dbraw/zinc/70/71/47/1107707147.db2.gz OWAQFLORHXVTQF-ARFHVFGLSA-N 2 1 308.491 3.057 20 0 DGADMP [NH3+]C[C@@H](c1nc([C@H]([NH3+])c2ccccc2)no1)C1CCCCCC1 ZINC001262384256 1107710905 /nfs/dbraw/zinc/71/09/05/1107710905.db2.gz ZNYYREWCCJCKTD-HZPDHXFCSA-N 2 1 314.433 3.130 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1-c1ccccc1 ZINC001322629050 1107720803 /nfs/dbraw/zinc/72/08/03/1107720803.db2.gz DSJUJRLYIBRALG-MRXNPFEDSA-N 2 1 312.461 3.317 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)CCC2 ZINC001322634384 1107721281 /nfs/dbraw/zinc/72/12/81/1107721281.db2.gz ULTPLBPXHBSNFZ-ZIAGYGMSSA-N 2 1 307.507 3.404 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)[nH]n1 ZINC001318346432 1107952118 /nfs/dbraw/zinc/95/21/18/1107952118.db2.gz JCZADSYCVWZXKC-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[nH]n1 ZINC001318346432 1107952125 /nfs/dbraw/zinc/95/21/25/1107952125.db2.gz JCZADSYCVWZXKC-HNNXBMFYSA-N 2 1 312.461 3.240 20 0 DGADMP CN(C)c1ncccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC001323713817 1108061860 /nfs/dbraw/zinc/06/18/60/1108061860.db2.gz QMZZBKPZVIPNHD-UHFFFAOYSA-N 2 1 324.472 3.033 20 0 DGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC001323978124 1108135047 /nfs/dbraw/zinc/13/50/47/1108135047.db2.gz RZNLDRANLCXDDI-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC001323978124 1108135053 /nfs/dbraw/zinc/13/50/53/1108135053.db2.gz RZNLDRANLCXDDI-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC001323978124 1108135058 /nfs/dbraw/zinc/13/50/58/1108135058.db2.gz RZNLDRANLCXDDI-NEPJUHHUSA-N 2 1 300.368 3.486 20 0 DGADMP Cc1c[nH]c(=O)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1 ZINC001474736716 1108373316 /nfs/dbraw/zinc/37/33/16/1108373316.db2.gz GNARVVFICWPPIW-YJBOKZPZSA-N 2 1 317.477 3.228 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264674208 1108611759 /nfs/dbraw/zinc/61/17/59/1108611759.db2.gz YQQRHCMCZADISA-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756778 1108624298 /nfs/dbraw/zinc/62/42/98/1108624298.db2.gz ZOPJLUYRAGYCQG-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC001319756778 1108624303 /nfs/dbraw/zinc/62/43/03/1108624303.db2.gz ZOPJLUYRAGYCQG-RHSMWYFYSA-N 2 1 306.425 3.361 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC001319917699 1108694182 /nfs/dbraw/zinc/69/41/82/1108694182.db2.gz MCQJFBTUPMTEPE-UHFFFAOYSA-N 2 1 310.376 3.047 20 0 DGADMP CC[N@H+](CC=C(C)C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266089557 1109085063 /nfs/dbraw/zinc/08/50/63/1109085063.db2.gz PCMAQOYTBKJZDH-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC=C(C)C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266089557 1109085067 /nfs/dbraw/zinc/08/50/67/1109085067.db2.gz PCMAQOYTBKJZDH-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CC[NH+](CC=C(C)C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266089557 1109085073 /nfs/dbraw/zinc/08/50/73/1109085073.db2.gz PCMAQOYTBKJZDH-SFHVURJKSA-N 2 1 323.525 3.044 20 0 DGADMP CC[C@@](C)(C(=O)OC)[N@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC001307859146 1111346997 /nfs/dbraw/zinc/34/69/97/1111346997.db2.gz IANLVAHOCUQRJU-SFHVURJKSA-N 2 1 321.465 3.025 20 0 DGADMP CC[C@@](C)(C(=O)OC)[N@@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC001307859146 1111347002 /nfs/dbraw/zinc/34/70/02/1111347002.db2.gz IANLVAHOCUQRJU-SFHVURJKSA-N 2 1 321.465 3.025 20 0 DGADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001308003481 1111365223 /nfs/dbraw/zinc/36/52/23/1111365223.db2.gz VTRWAKWUQXGLQQ-RTBURBONSA-N 2 1 310.526 3.370 20 0 DGADMP CSCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308005808 1111365476 /nfs/dbraw/zinc/36/54/76/1111365476.db2.gz AXDFUPQIJYDMIE-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCOc1ccc(F)cc1 ZINC001308197571 1111395537 /nfs/dbraw/zinc/39/55/37/1111395537.db2.gz PTZUDOYBFDMEPL-UHFFFAOYSA-N 2 1 317.408 3.236 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001308224034 1111400615 /nfs/dbraw/zinc/40/06/15/1111400615.db2.gz CYWNJRXJHBLFJQ-FUHWJXTLSA-N 2 1 316.489 3.264 20 0 DGADMP c1[nH+]cn2cc(C[NH2+]Cc3conc3Cc3ccccc3)ccc12 ZINC001308431560 1111428049 /nfs/dbraw/zinc/42/80/49/1111428049.db2.gz RIPBOHNKDZBGGZ-UHFFFAOYSA-N 2 1 318.380 3.203 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(F)c2ccccc12 ZINC001308453976 1111430816 /nfs/dbraw/zinc/43/08/16/1111430816.db2.gz SVBIJVUWYZNNCQ-MRXNPFEDSA-N 2 1 318.436 3.161 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)cc3C(F)(F)F)[C@H]2C1 ZINC001308553102 1111442349 /nfs/dbraw/zinc/44/23/49/1111442349.db2.gz GXFLBVJLOVWOPF-CORIIIEPSA-N 2 1 316.342 3.274 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001308573301 1111445966 /nfs/dbraw/zinc/44/59/66/1111445966.db2.gz FRLUBQQTNMOLHH-OXJNMPFZSA-N 2 1 313.489 3.485 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001308600332 1111449159 /nfs/dbraw/zinc/44/91/59/1111449159.db2.gz ZASSQAWEDKTLPC-GOSISDBHSA-N 2 1 316.445 3.366 20 0 DGADMP C[C@@]1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCO1 ZINC001308723235 1111466025 /nfs/dbraw/zinc/46/60/25/1111466025.db2.gz OOAIGBDNLLVKLZ-IBGZPJMESA-N 2 1 317.477 3.358 20 0 DGADMP CCc1ccccc1CN(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001308742871 1111469173 /nfs/dbraw/zinc/46/91/73/1111469173.db2.gz OEDKWJZGSKHRSQ-HXUWFJFHSA-N 2 1 317.521 3.097 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC001308744265 1111469460 /nfs/dbraw/zinc/46/94/60/1111469460.db2.gz IZDBMJMQYDYILV-HXUWFJFHSA-N 2 1 315.505 3.237 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904896 1111491586 /nfs/dbraw/zinc/49/15/86/1111491586.db2.gz XOPGIAAAQDUABK-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001308904896 1111491588 /nfs/dbraw/zinc/49/15/88/1111491588.db2.gz XOPGIAAAQDUABK-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001308904896 1111491589 /nfs/dbraw/zinc/49/15/89/1111491589.db2.gz XOPGIAAAQDUABK-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(C)c1 ZINC001308904896 1111491591 /nfs/dbraw/zinc/49/15/91/1111491591.db2.gz XOPGIAAAQDUABK-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP COc1cccc(OC)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001308913760 1111492775 /nfs/dbraw/zinc/49/27/75/1111492775.db2.gz DZUZEEUHZRYTPU-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCO[C@H](C[NH2+][C@H](C)Cc1ccc2c(c1)CCCC2)C[NH+](C)C ZINC001308936497 1111496451 /nfs/dbraw/zinc/49/64/51/1111496451.db2.gz VMSNFKMXNCULIX-OXQOHEQNSA-N 2 1 318.505 3.053 20 0 DGADMP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001316773252 1111735845 /nfs/dbraw/zinc/73/58/45/1111735845.db2.gz UGTRQKPQOJVVQC-IPLHWJFFSA-N 2 1 323.525 3.045 20 0 DGADMP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001316773271 1111735997 /nfs/dbraw/zinc/73/59/97/1111735997.db2.gz UGTRQKPQOJVVQC-MJRGOJFPSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001316733157 1111758709 /nfs/dbraw/zinc/75/87/09/1111758709.db2.gz MHVUYZAMDJVARL-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001316733157 1111758715 /nfs/dbraw/zinc/75/87/15/1111758715.db2.gz MHVUYZAMDJVARL-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001316733157 1111758720 /nfs/dbraw/zinc/75/87/20/1111758720.db2.gz MHVUYZAMDJVARL-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001316733157 1111758725 /nfs/dbraw/zinc/75/87/25/1111758725.db2.gz MHVUYZAMDJVARL-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000245929982 546300678 /nfs/dbraw/zinc/30/06/78/546300678.db2.gz UQAQWUOCSXSDPX-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)cc1 ZINC000278350536 214106555 /nfs/dbraw/zinc/10/65/55/214106555.db2.gz AUTKMVDHTVZANA-APWZRJJASA-N 2 1 320.477 3.237 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000278512371 214203083 /nfs/dbraw/zinc/20/30/83/214203083.db2.gz WYOBPNREQYUVAK-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000278512371 214203085 /nfs/dbraw/zinc/20/30/85/214203085.db2.gz WYOBPNREQYUVAK-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000278512371 214203088 /nfs/dbraw/zinc/20/30/88/214203088.db2.gz WYOBPNREQYUVAK-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000278512371 214203091 /nfs/dbraw/zinc/20/30/91/214203091.db2.gz WYOBPNREQYUVAK-DOTOQJQBSA-N 2 1 306.425 3.141 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000278620582 214280855 /nfs/dbraw/zinc/28/08/55/214280855.db2.gz RNRDIZUGLZWZNN-CABCVRRESA-N 2 1 310.869 3.492 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000278620582 214280857 /nfs/dbraw/zinc/28/08/57/214280857.db2.gz RNRDIZUGLZWZNN-CABCVRRESA-N 2 1 310.869 3.492 20 0 DGADMP C[C@@H](CC[NH+]1CCSC(C)(C)C1)[N@H+]1CCSC(C)(C)C1 ZINC000431598161 546815997 /nfs/dbraw/zinc/81/59/97/546815997.db2.gz AXIUWKKXQHAIJQ-AWEZNQCLSA-N 2 1 316.580 3.420 20 0 DGADMP C[C@@H](CC[N@H+]1CCSC(C)(C)C1)[NH+]1CCSC(C)(C)C1 ZINC000431598161 546815987 /nfs/dbraw/zinc/81/59/87/546815987.db2.gz AXIUWKKXQHAIJQ-AWEZNQCLSA-N 2 1 316.580 3.420 20 0 DGADMP C[C@@H](CC[NH+]1CCSC(C)(C)C1)[N@@H+]1CCSC(C)(C)C1 ZINC000431598161 546815995 /nfs/dbraw/zinc/81/59/95/546815995.db2.gz AXIUWKKXQHAIJQ-AWEZNQCLSA-N 2 1 316.580 3.420 20 0 DGADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742834 231103903 /nfs/dbraw/zinc/10/39/03/231103903.db2.gz WOIRKRZEOZYPEY-FZCLSBEQSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000272851760 210246974 /nfs/dbraw/zinc/24/69/74/210246974.db2.gz OTIRLLNNAOCEHY-LBPRGKRZSA-N 2 1 319.836 3.206 20 0 DGADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]Cc3ccccn3)C2)cc1 ZINC000310003484 231109721 /nfs/dbraw/zinc/10/97/21/231109721.db2.gz GJIRHMSTFMHWEO-IBGZPJMESA-N 2 1 309.457 3.474 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]Cc3ccccn3)C2)cc1 ZINC000310003484 231109723 /nfs/dbraw/zinc/10/97/23/231109723.db2.gz GJIRHMSTFMHWEO-IBGZPJMESA-N 2 1 309.457 3.474 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015371 231109843 /nfs/dbraw/zinc/10/98/43/231109843.db2.gz NNKYQKTUAILJMF-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015371 231109847 /nfs/dbraw/zinc/10/98/47/231109847.db2.gz NNKYQKTUAILJMF-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015371 231109849 /nfs/dbraw/zinc/10/98/49/231109849.db2.gz NNKYQKTUAILJMF-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015371 231109852 /nfs/dbraw/zinc/10/98/52/231109852.db2.gz NNKYQKTUAILJMF-PMACEKPBSA-N 2 1 307.441 3.036 20 0 DGADMP C[N@H+](Cc1cc(Br)cs1)[C@H]1CCC[NH2+]CC1 ZINC000082666805 185191898 /nfs/dbraw/zinc/19/18/98/185191898.db2.gz LJZNPMOQMUXEPN-NSHDSACASA-N 2 1 303.269 3.085 20 0 DGADMP C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCC[NH2+]CC1 ZINC000082666805 185191899 /nfs/dbraw/zinc/19/18/99/185191899.db2.gz LJZNPMOQMUXEPN-NSHDSACASA-N 2 1 303.269 3.085 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2ccccn2)CC1 ZINC000103143177 432004387 /nfs/dbraw/zinc/00/43/87/432004387.db2.gz ZFHTVVNJMMWEIU-UHFFFAOYSA-N 2 1 323.484 3.468 20 0 DGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063151 529540424 /nfs/dbraw/zinc/54/04/24/529540424.db2.gz GWRDLKBOLGOHBQ-IRXDYDNUSA-N 2 1 320.477 3.132 20 0 DGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415064554 529595312 /nfs/dbraw/zinc/59/53/12/529595312.db2.gz KYWWJXAIGJHNRD-RDTXWAMCSA-N 2 1 317.477 3.073 20 0 DGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000442876266 529601606 /nfs/dbraw/zinc/60/16/06/529601606.db2.gz PKMLPXZVSAGTIK-KRWDZBQOSA-N 2 1 323.912 3.407 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)c(F)c(F)c1 ZINC000278966956 214537049 /nfs/dbraw/zinc/53/70/49/214537049.db2.gz NAPUUUIZMHJHHU-QWRGUYRKSA-N 2 1 309.335 3.214 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273565729 282206929 /nfs/dbraw/zinc/20/69/29/282206929.db2.gz XIFYXTHZCMNKID-ZWKOTPCHSA-N 2 1 317.408 3.183 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273565729 282206932 /nfs/dbraw/zinc/20/69/32/282206932.db2.gz XIFYXTHZCMNKID-ZWKOTPCHSA-N 2 1 317.408 3.183 20 0 DGADMP CO[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000090173209 185284926 /nfs/dbraw/zinc/28/49/26/185284926.db2.gz SUXIYMYMISCGMX-OMNBBPDLSA-N 2 1 310.869 3.346 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000262378203 282247712 /nfs/dbraw/zinc/24/77/12/282247712.db2.gz YLWCOVBSIWFXPT-YYIAUSFCSA-N 2 1 321.534 3.251 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000092561867 185325927 /nfs/dbraw/zinc/32/59/27/185325927.db2.gz JVLHEDMPRXPGOF-BHUNQDJPSA-N 2 1 322.493 3.103 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000261658295 282248890 /nfs/dbraw/zinc/24/88/90/282248890.db2.gz FWUDBSOPYNXRKU-MTQWCTHYSA-N 2 1 315.505 3.190 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426638 529721235 /nfs/dbraw/zinc/72/12/35/529721235.db2.gz SYACRXBDFYFISL-SJORKVTESA-N 2 1 304.478 3.401 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118499 529811427 /nfs/dbraw/zinc/81/14/27/529811427.db2.gz BYCVVYGNKVGBCV-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118499 529811428 /nfs/dbraw/zinc/81/14/28/529811428.db2.gz BYCVVYGNKVGBCV-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118499 529811429 /nfs/dbraw/zinc/81/14/29/529811429.db2.gz BYCVVYGNKVGBCV-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000430118499 529811430 /nfs/dbraw/zinc/81/14/30/529811430.db2.gz BYCVVYGNKVGBCV-HNNXBMFYSA-N 2 1 314.351 3.113 20 0 DGADMP C[N@@H+](CCC1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000432775390 529878442 /nfs/dbraw/zinc/87/84/42/529878442.db2.gz HYCOVLYDZUHOJB-UHFFFAOYSA-N 2 1 317.477 3.047 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCOC2(CCC2)C1)Cc1ccccc1 ZINC000309579472 529891847 /nfs/dbraw/zinc/89/18/47/529891847.db2.gz ZMMLHCJRGLKHAJ-GOSISDBHSA-N 2 1 302.462 3.200 20 0 DGADMP CN(CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000422804208 529917983 /nfs/dbraw/zinc/91/79/83/529917983.db2.gz DVWNFZPSQYKSMV-AZUAARDMSA-N 2 1 309.457 3.206 20 0 DGADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC[NH2+]CC1 ZINC000433498708 529973586 /nfs/dbraw/zinc/97/35/86/529973586.db2.gz PMCFNTVMTDCWLV-UHFFFAOYSA-N 2 1 320.440 3.185 20 0 DGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435435179 529990009 /nfs/dbraw/zinc/99/00/09/529990009.db2.gz APEVPNNHFWVBIA-AWEZNQCLSA-N 2 1 316.367 3.202 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC000435377185 529993050 /nfs/dbraw/zinc/99/30/50/529993050.db2.gz YVVGQYHBGMNMIQ-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC000435377185 529993051 /nfs/dbraw/zinc/99/30/51/529993051.db2.gz YVVGQYHBGMNMIQ-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857451 530065203 /nfs/dbraw/zinc/06/52/03/530065203.db2.gz CFHCVQHROZOAAE-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857451 530065204 /nfs/dbraw/zinc/06/52/04/530065204.db2.gz CFHCVQHROZOAAE-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857451 530065205 /nfs/dbraw/zinc/06/52/05/530065205.db2.gz CFHCVQHROZOAAE-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000292857451 530065206 /nfs/dbraw/zinc/06/52/06/530065206.db2.gz CFHCVQHROZOAAE-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231460581 201887532 /nfs/dbraw/zinc/88/75/32/201887532.db2.gz ZOMWKOKSTIIDIB-GFCCVEGCSA-N 2 1 315.230 3.162 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272685385 210089554 /nfs/dbraw/zinc/08/95/54/210089554.db2.gz UINXWFUVYKREQJ-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272648305 210052838 /nfs/dbraw/zinc/05/28/38/210052838.db2.gz DYIKSJRWHKKZOP-FUMNGEBKSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000130260254 432019818 /nfs/dbraw/zinc/01/98/18/432019818.db2.gz PMJMGMBUVTUGCJ-XHSDSOJGSA-N 2 1 317.477 3.256 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000279821690 215176069 /nfs/dbraw/zinc/17/60/69/215176069.db2.gz YIIVITWDPHWNDO-VIFPVBQESA-N 2 1 314.252 3.366 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2=CCCOC2)C3)cc1 ZINC000287002862 219265406 /nfs/dbraw/zinc/26/54/06/219265406.db2.gz KDQWDTXQQWCJQT-OWZKRDHZSA-N 2 1 312.457 3.118 20 0 DGADMP Brc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869057 432022818 /nfs/dbraw/zinc/02/28/18/432022818.db2.gz ZJNRCWJDQISDEK-ZIAGYGMSSA-N 2 1 309.251 3.166 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000279974077 215282238 /nfs/dbraw/zinc/28/22/38/215282238.db2.gz DFDVTQWKZKIDIO-MBOZVWFJSA-N 2 1 315.505 3.221 20 0 DGADMP Fc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000167087057 282979621 /nfs/dbraw/zinc/97/96/21/282979621.db2.gz KONKXWUPSIZVEK-UHFFFAOYSA-N 2 1 304.331 3.420 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000164362971 186157192 /nfs/dbraw/zinc/15/71/92/186157192.db2.gz XHJTUPCGILOLKN-OWCLPIDISA-N 2 1 321.896 3.381 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000164362971 186157194 /nfs/dbraw/zinc/15/71/94/186157194.db2.gz XHJTUPCGILOLKN-OWCLPIDISA-N 2 1 321.896 3.381 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC[C@@H]1CCCO1 ZINC000189950398 186253858 /nfs/dbraw/zinc/25/38/58/186253858.db2.gz LJXFVWWGMJOFHS-ZCQXEVHSSA-N 2 1 316.489 3.302 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C)c2)[C@H](C)C1 ZINC000130728312 432028937 /nfs/dbraw/zinc/02/89/37/432028937.db2.gz XEMYPEMHEXNRMA-QUCCMNQESA-N 2 1 318.505 3.264 20 0 DGADMP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)cn1 ZINC000072718463 191222165 /nfs/dbraw/zinc/22/21/65/191222165.db2.gz UGTBCXGOJRCLAI-IBGZPJMESA-N 2 1 324.472 3.180 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000107368150 432030979 /nfs/dbraw/zinc/03/09/79/432030979.db2.gz SXCHGWHQRMERKB-YJBOKZPZSA-N 2 1 321.896 3.113 20 0 DGADMP c1cc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000173781533 198251246 /nfs/dbraw/zinc/25/12/46/198251246.db2.gz PMYICFXVSLTSEP-LJQANCHMSA-N 2 1 314.473 3.114 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182061086 199380844 /nfs/dbraw/zinc/38/08/44/199380844.db2.gz AQALAOVSMVMTNV-SUMWQHHRSA-N 2 1 317.408 3.470 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000174514604 198344750 /nfs/dbraw/zinc/34/47/50/198344750.db2.gz VVTPVPNQSLUKBB-TZMCWYRMSA-N 2 1 316.367 3.200 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C1 ZINC000067670993 432034532 /nfs/dbraw/zinc/03/45/32/432034532.db2.gz BTINKITTWKVMDP-IYBDPMFKSA-N 2 1 312.461 3.177 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C1 ZINC000067670993 432034534 /nfs/dbraw/zinc/03/45/34/432034534.db2.gz BTINKITTWKVMDP-IYBDPMFKSA-N 2 1 312.461 3.177 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277091983 213287490 /nfs/dbraw/zinc/28/74/90/213287490.db2.gz RWNHDNKUCLJTOL-JKSUJKDBSA-N 2 1 323.799 3.104 20 0 DGADMP Cc1ccc(-c2cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c2)cc1 ZINC000131386750 432036457 /nfs/dbraw/zinc/03/64/57/432036457.db2.gz HUONOOBFHPPLDS-HXUWFJFHSA-N 2 1 312.457 3.064 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000277065495 213272525 /nfs/dbraw/zinc/27/25/25/213272525.db2.gz IMGDAVNNWCGIBW-BPUTZDHNSA-N 2 1 308.853 3.324 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCCCCC[NH3+])c2C1 ZINC000236788804 202010433 /nfs/dbraw/zinc/01/04/33/202010433.db2.gz ANHMHELBTCZMJZ-UHFFFAOYSA-N 2 1 303.450 3.260 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CCCCCC[NH3+])c2C1 ZINC000236788804 202010437 /nfs/dbraw/zinc/01/04/37/202010437.db2.gz ANHMHELBTCZMJZ-UHFFFAOYSA-N 2 1 303.450 3.260 20 0 DGADMP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236799027 202015794 /nfs/dbraw/zinc/01/57/94/202015794.db2.gz WJRVELPMBXTFFM-WMLDXEAASA-N 2 1 303.450 3.127 20 0 DGADMP CN(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131823385 432040254 /nfs/dbraw/zinc/04/02/54/432040254.db2.gz DZDBWQYFUJVDTA-IBGZPJMESA-N 2 1 301.478 3.073 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000177213096 198687191 /nfs/dbraw/zinc/68/71/91/198687191.db2.gz PLFHPUXRUWOVDC-MRXNPFEDSA-N 2 1 323.912 3.408 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000165635236 432056411 /nfs/dbraw/zinc/05/64/11/432056411.db2.gz DHQVTHNACQVNQQ-OAHLLOKOSA-N 2 1 309.417 3.118 20 0 DGADMP CCCN(CC[NH+]1CCCC1)c1cc[nH+]cc1Br ZINC000343265133 283244578 /nfs/dbraw/zinc/24/45/78/283244578.db2.gz MPIOEHFJUQTVBE-UHFFFAOYSA-N 2 1 312.255 3.156 20 0 DGADMP Cc1ccc(C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C(C)C)cc1 ZINC000168347285 432068776 /nfs/dbraw/zinc/06/87/76/432068776.db2.gz HNHBKFSJIQYLRT-LJQANCHMSA-N 2 1 318.505 3.263 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000414690021 283281069 /nfs/dbraw/zinc/28/10/69/283281069.db2.gz HFQUYKUYRPLDMQ-GVDBMIGSSA-N 2 1 317.477 3.114 20 0 DGADMP COc1ccc2oc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2c1 ZINC000179287918 199010405 /nfs/dbraw/zinc/01/04/05/199010405.db2.gz XCFUQCZKFHAFSX-UHFFFAOYSA-N 2 1 314.429 3.405 20 0 DGADMP CC[C@@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180138459 199122497 /nfs/dbraw/zinc/12/24/97/199122497.db2.gz MUYKXIURSCQHAS-MNIJEXPFSA-N 2 1 316.489 3.179 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000237381189 202250247 /nfs/dbraw/zinc/25/02/47/202250247.db2.gz HIAQAYDADDAKLU-SFHVURJKSA-N 2 1 324.468 3.412 20 0 DGADMP COC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000180194448 432080913 /nfs/dbraw/zinc/08/09/13/432080913.db2.gz HWYCMMFBLULXIX-GBESFXJTSA-N 2 1 314.473 3.056 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2ccsc2)s1)C1CCCC1 ZINC000415063309 237046959 /nfs/dbraw/zinc/04/69/59/237046959.db2.gz HUCYEZIOLKLNNC-AWEZNQCLSA-N 2 1 307.488 3.479 20 0 DGADMP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000415104240 237079196 /nfs/dbraw/zinc/07/91/96/237079196.db2.gz KWTQSFHFIMFLDQ-JKSUJKDBSA-N 2 1 301.459 3.343 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC[NH2+]2)cc1 ZINC000415103672 237081750 /nfs/dbraw/zinc/08/17/50/237081750.db2.gz KRMPIGQZKDCYBD-ICBNADEASA-N 2 1 312.457 3.027 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)s1)C1CCCC1 ZINC000415071917 237055339 /nfs/dbraw/zinc/05/53/39/237055339.db2.gz XBGHEFKFDLQGRF-NSHDSACASA-N 2 1 303.269 3.118 20 0 DGADMP Cc1nc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000415082366 237061842 /nfs/dbraw/zinc/06/18/42/237061842.db2.gz LWNXZCRIPMTUMG-NVXWUHKLSA-N 2 1 301.459 3.077 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000415128869 237101967 /nfs/dbraw/zinc/10/19/67/237101967.db2.gz OLQZBGODAHTEAK-JSGCOSHPSA-N 2 1 318.852 3.147 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000186843909 200020563 /nfs/dbraw/zinc/02/05/63/200020563.db2.gz PJLWRQTUHAHRTD-CFVMTHIKSA-N 2 1 300.368 3.405 20 0 DGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000187190722 200074769 /nfs/dbraw/zinc/07/47/69/200074769.db2.gz TWQCFZRXVFRMQL-WOJBJXKFSA-N 2 1 318.505 3.080 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000187792606 200157804 /nfs/dbraw/zinc/15/78/04/200157804.db2.gz QFHXRRJTBGKBJV-INIZCTEOSA-N 2 1 312.461 3.478 20 0 DGADMP CCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000281102347 216080588 /nfs/dbraw/zinc/08/05/88/216080588.db2.gz ANOZYLDJQRKJBK-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000281102347 216080592 /nfs/dbraw/zinc/08/05/92/216080592.db2.gz ANOZYLDJQRKJBK-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188729228 200295614 /nfs/dbraw/zinc/29/56/14/200295614.db2.gz QFLXXEBMVBLCMU-NFAWXSAZSA-N 2 1 312.404 3.149 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCOCC1 ZINC000189204254 200363678 /nfs/dbraw/zinc/36/36/78/200363678.db2.gz RUSRXEHVILTBKD-RBUKOAKNSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430579870 238080957 /nfs/dbraw/zinc/08/09/57/238080957.db2.gz ZGBQTWLOFVWMCF-JKSUJKDBSA-N 2 1 311.429 3.433 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430610449 238081983 /nfs/dbraw/zinc/08/19/83/238081983.db2.gz KZCZOFZPFOBNQY-KRWDZBQOSA-N 2 1 323.440 3.110 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1Cc1ccccc1 ZINC000430811978 238087170 /nfs/dbraw/zinc/08/71/70/238087170.db2.gz STIRUYQPKSALKR-AEFFLSMTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@H+]1Cc1ccccc1 ZINC000430811978 238087171 /nfs/dbraw/zinc/08/71/71/238087171.db2.gz STIRUYQPKSALKR-AEFFLSMTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811978 238087172 /nfs/dbraw/zinc/08/71/72/238087172.db2.gz STIRUYQPKSALKR-AEFFLSMTSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1Cc1ccccc1 ZINC000430811978 238087173 /nfs/dbraw/zinc/08/71/73/238087173.db2.gz STIRUYQPKSALKR-AEFFLSMTSA-N 2 1 302.462 3.008 20 0 DGADMP Clc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134947121 432090781 /nfs/dbraw/zinc/09/07/81/432090781.db2.gz VXWYAGXRWJHHPA-CJNGLKHVSA-N 2 1 305.853 3.184 20 0 DGADMP Brc1c[nH+]ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000281272097 216201142 /nfs/dbraw/zinc/20/11/42/216201142.db2.gz RNOZBBNRWDHCNS-UHFFFAOYSA-N 2 1 310.239 3.130 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432238525 238123027 /nfs/dbraw/zinc/12/30/27/238123027.db2.gz RXGNARXCKWUCCG-UHFFFAOYSA-N 2 1 302.180 3.427 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000432787568 238135987 /nfs/dbraw/zinc/13/59/87/238135987.db2.gz HJYACGNVVAOOIF-CQSZACIVSA-N 2 1 304.463 3.054 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000432787568 238135988 /nfs/dbraw/zinc/13/59/88/238135988.db2.gz HJYACGNVVAOOIF-CQSZACIVSA-N 2 1 304.463 3.054 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000432787567 238136256 /nfs/dbraw/zinc/13/62/56/238136256.db2.gz HJYACGNVVAOOIF-AWEZNQCLSA-N 2 1 304.463 3.054 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000432787567 238136257 /nfs/dbraw/zinc/13/62/57/238136257.db2.gz HJYACGNVVAOOIF-AWEZNQCLSA-N 2 1 304.463 3.054 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000272007568 209378724 /nfs/dbraw/zinc/37/87/24/209378724.db2.gz FMIVYIXXHMXCPR-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)(F)F ZINC000271919962 209324936 /nfs/dbraw/zinc/32/49/36/209324936.db2.gz ZXLPXVAUIFCCCV-GFCCVEGCSA-N 2 1 314.351 3.498 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435387972 238299880 /nfs/dbraw/zinc/29/98/80/238299880.db2.gz CMXGRHNKJABUQJ-KRWDZBQOSA-N 2 1 314.404 3.185 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000435369759 238297288 /nfs/dbraw/zinc/29/72/88/238297288.db2.gz GNOVIADTADWSGR-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000435369759 238297292 /nfs/dbraw/zinc/29/72/92/238297292.db2.gz GNOVIADTADWSGR-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP c1cc(C[N@@H+](Cc2ccncc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435434651 238305257 /nfs/dbraw/zinc/30/52/57/238305257.db2.gz ZFHASLZFIXMGNT-QGZVFWFLSA-N 2 1 313.470 3.287 20 0 DGADMP Cc1ncsc1C[N@@H+](CCC1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000435734938 238342307 /nfs/dbraw/zinc/34/23/07/238342307.db2.gz ZCUJGAHQGGNJEX-INIZCTEOSA-N 2 1 307.507 3.443 20 0 DGADMP COC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000193667157 201099338 /nfs/dbraw/zinc/09/93/38/201099338.db2.gz IPPYZQUKIZYGFM-DYVFJYSZSA-N 2 1 321.852 3.458 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOCC(F)F)cc1 ZINC000189858564 432096883 /nfs/dbraw/zinc/09/68/83/432096883.db2.gz UGHHUOCBOHFBME-GFCCVEGCSA-N 2 1 309.360 3.113 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000193940296 201150044 /nfs/dbraw/zinc/15/00/44/201150044.db2.gz NFZZKCZUEGEYIQ-OALUTQOASA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000193940296 201150047 /nfs/dbraw/zinc/15/00/47/201150047.db2.gz NFZZKCZUEGEYIQ-OALUTQOASA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000193940296 201150050 /nfs/dbraw/zinc/15/00/50/201150050.db2.gz NFZZKCZUEGEYIQ-OALUTQOASA-N 2 1 300.446 3.133 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC000193990045 201157274 /nfs/dbraw/zinc/15/72/74/201157274.db2.gz YDXSGSPZJPUJQY-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC000193990045 201157276 /nfs/dbraw/zinc/15/72/76/201157276.db2.gz YDXSGSPZJPUJQY-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292872420 223284592 /nfs/dbraw/zinc/28/45/92/223284592.db2.gz XFWQZSHWFOIJIN-SFHVURJKSA-N 2 1 313.445 3.075 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000442769142 239121229 /nfs/dbraw/zinc/12/12/29/239121229.db2.gz MVCFJGYSYNIITK-UFRUDQCGSA-N 2 1 324.472 3.204 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000442758307 239121419 /nfs/dbraw/zinc/12/14/19/239121419.db2.gz ADTDDKJCUQYXRO-WBVHZDCISA-N 2 1 323.440 3.108 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064846 239170612 /nfs/dbraw/zinc/17/06/12/239170612.db2.gz YZOMKZLVNNQXPE-KBPBESRZSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000443200137 239183173 /nfs/dbraw/zinc/18/31/73/239183173.db2.gz FVKAIRYCHQFIHN-FVCZOJIISA-N 2 1 315.505 3.059 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000443200137 239183176 /nfs/dbraw/zinc/18/31/76/239183176.db2.gz FVKAIRYCHQFIHN-FVCZOJIISA-N 2 1 315.505 3.059 20 0 DGADMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000443989329 239245846 /nfs/dbraw/zinc/24/58/46/239245846.db2.gz OYAWBPBKRKILST-OAHLLOKOSA-N 2 1 310.869 3.239 20 0 DGADMP OCCC[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC000444570189 239300362 /nfs/dbraw/zinc/30/03/62/239300362.db2.gz NRABMUCXUDKEJH-UHFFFAOYSA-N 2 1 324.896 3.400 20 0 DGADMP OCCC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC000444570189 239300364 /nfs/dbraw/zinc/30/03/64/239300364.db2.gz NRABMUCXUDKEJH-UHFFFAOYSA-N 2 1 324.896 3.400 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1Cl ZINC000271838029 209255873 /nfs/dbraw/zinc/25/58/73/209255873.db2.gz GLBVVCDZVLOZLL-LBPRGKRZSA-N 2 1 324.852 3.270 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000246164936 432103010 /nfs/dbraw/zinc/10/30/10/432103010.db2.gz AOLUVKKZCZGPPN-KXBFYZLASA-N 2 1 314.473 3.320 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](NCc2cccc(C)c2F)[C@@H](C)C1 ZINC000449138858 240035588 /nfs/dbraw/zinc/03/55/88/240035588.db2.gz JGMCXDYQNFBGCS-FUHWJXTLSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449138858 240035592 /nfs/dbraw/zinc/03/55/92/240035592.db2.gz JGMCXDYQNFBGCS-FUHWJXTLSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449138858 240035596 /nfs/dbraw/zinc/03/55/96/240035596.db2.gz JGMCXDYQNFBGCS-FUHWJXTLSA-N 2 1 322.468 3.361 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000449080513 240006060 /nfs/dbraw/zinc/00/60/60/240006060.db2.gz WSVYKRLEKSBMEJ-ZWKOTPCHSA-N 2 1 308.510 3.434 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449236330 240084201 /nfs/dbraw/zinc/08/42/01/240084201.db2.gz XRDMWPBBPRXBMF-OALUTQOASA-N 2 1 314.473 3.066 20 0 DGADMP CC1(F)CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000449377744 240164253 /nfs/dbraw/zinc/16/42/53/240164253.db2.gz UGLOFPXROZREMA-QASGIJCMSA-N 2 1 302.437 3.377 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449400706 240178132 /nfs/dbraw/zinc/17/81/32/240178132.db2.gz CPWMQBDKRHVLOI-XLIONFOSSA-N 2 1 309.457 3.390 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000449402634 240179055 /nfs/dbraw/zinc/17/90/55/240179055.db2.gz SDUOUKMHVBTOSC-LRDDRELGSA-N 2 1 314.832 3.178 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449578935 240302500 /nfs/dbraw/zinc/30/25/00/240302500.db2.gz UINXWFUVYKREQJ-NBYUQASBSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331177 212275599 /nfs/dbraw/zinc/27/55/99/212275599.db2.gz ZGBFEIJGJWOCOJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331177 212275604 /nfs/dbraw/zinc/27/56/04/212275604.db2.gz ZGBFEIJGJWOCOJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331177 212275606 /nfs/dbraw/zinc/27/56/06/212275606.db2.gz ZGBFEIJGJWOCOJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000275331177 212275608 /nfs/dbraw/zinc/27/56/08/212275608.db2.gz ZGBFEIJGJWOCOJ-WFASDCNBSA-N 2 1 300.368 3.477 20 0 DGADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000271783605 209211904 /nfs/dbraw/zinc/21/19/04/209211904.db2.gz FBUMNXFALIAUEK-UHFFFAOYSA-N 2 1 305.472 3.223 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000271783605 209211908 /nfs/dbraw/zinc/21/19/08/209211908.db2.gz FBUMNXFALIAUEK-UHFFFAOYSA-N 2 1 305.472 3.223 20 0 DGADMP COCC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000293054572 223374064 /nfs/dbraw/zinc/37/40/64/223374064.db2.gz UFEFDTZIJJKDOX-UHFFFAOYSA-N 2 1 316.489 3.447 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043476 284004229 /nfs/dbraw/zinc/00/42/29/284004229.db2.gz UAULYZXGXANAPL-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043476 284004234 /nfs/dbraw/zinc/00/42/34/284004234.db2.gz UAULYZXGXANAPL-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043476 284004236 /nfs/dbraw/zinc/00/42/36/284004236.db2.gz UAULYZXGXANAPL-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597871 284013222 /nfs/dbraw/zinc/01/32/22/284013222.db2.gz SWWVULZDJINUOW-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597871 284013224 /nfs/dbraw/zinc/01/32/24/284013224.db2.gz SWWVULZDJINUOW-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000093742226 284014492 /nfs/dbraw/zinc/01/44/92/284014492.db2.gz IEOSPLBBKWDXMB-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000093742226 284014494 /nfs/dbraw/zinc/01/44/94/284014494.db2.gz IEOSPLBBKWDXMB-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093742226 284014495 /nfs/dbraw/zinc/01/44/95/284014495.db2.gz IEOSPLBBKWDXMB-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000093742226 284014497 /nfs/dbraw/zinc/01/44/97/284014497.db2.gz IEOSPLBBKWDXMB-MRXNPFEDSA-N 2 1 300.446 3.126 20 0 DGADMP CSC[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1CSC ZINC000135422486 432116415 /nfs/dbraw/zinc/11/64/15/432116415.db2.gz KANNSGGVUWPNBZ-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)c1ccccc1 ZINC000168263974 296118220 /nfs/dbraw/zinc/11/82/20/296118220.db2.gz QAMAPKHDYQISIX-MRXNPFEDSA-N 2 1 304.478 3.053 20 0 DGADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OCC1CCCC1 ZINC000459360783 243347712 /nfs/dbraw/zinc/34/77/12/243347712.db2.gz DRCCPOHLDMDUOU-MJGOQNOKSA-N 2 1 306.494 3.142 20 0 DGADMP c1ccc(CO[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459446984 243374643 /nfs/dbraw/zinc/37/46/43/243374643.db2.gz QGTDSUYTMOKYNQ-WOJBJXKFSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459428986 243367077 /nfs/dbraw/zinc/36/70/77/243367077.db2.gz PXGKTQRSPMDPOK-GOSISDBHSA-N 2 1 302.487 3.233 20 0 DGADMP COCCCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000459438338 243370526 /nfs/dbraw/zinc/37/05/26/243370526.db2.gz LFQPFKMYEKZGJG-GOSISDBHSA-N 2 1 301.434 3.110 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282195302 216813238 /nfs/dbraw/zinc/81/32/38/216813238.db2.gz NPNFUCYGTMTFNM-MRXNPFEDSA-N 2 1 314.477 3.421 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000469027131 244080723 /nfs/dbraw/zinc/08/07/23/244080723.db2.gz MWBISRQZBSJTAZ-LJQANCHMSA-N 2 1 318.505 3.202 20 0 DGADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396754 284120958 /nfs/dbraw/zinc/12/09/58/284120958.db2.gz LHFJQWQYIMKNBM-RDJZCZTQSA-N 2 1 319.493 3.278 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874473 296135370 /nfs/dbraw/zinc/13/53/70/296135370.db2.gz DASOZPGIIAUGDR-HLIPFELVSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882940 296135711 /nfs/dbraw/zinc/13/57/11/296135711.db2.gz PPTOKNPDUBRFJK-QKLQHJQFSA-N 2 1 315.505 3.149 20 0 DGADMP C[N@H+](Cc1c(F)cccc1N1CCCC1)CC1CC[NH+](C)CC1 ZINC000093089339 193201757 /nfs/dbraw/zinc/20/17/57/193201757.db2.gz WWIOQBKVEBXUDY-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP CCCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000093089142 193201581 /nfs/dbraw/zinc/20/15/81/193201581.db2.gz YLZJUGPEBGBHDZ-UHFFFAOYSA-N 2 1 320.477 3.258 20 0 DGADMP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471852506 244259268 /nfs/dbraw/zinc/25/92/68/244259268.db2.gz VZEXWMNAVFFXER-RTBURBONSA-N 2 1 304.478 3.084 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000471867009 244260558 /nfs/dbraw/zinc/26/05/58/244260558.db2.gz YWXBCZWAAAYSDZ-LEWJYISDSA-N 2 1 323.484 3.296 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472452252 244306261 /nfs/dbraw/zinc/30/62/61/244306261.db2.gz CRYDYXJOSJAOKS-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472452252 244306267 /nfs/dbraw/zinc/30/62/67/244306267.db2.gz CRYDYXJOSJAOKS-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472452252 244306272 /nfs/dbraw/zinc/30/62/72/244306272.db2.gz CRYDYXJOSJAOKS-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP Cc1cccnc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093171797 193210870 /nfs/dbraw/zinc/21/08/70/193210870.db2.gz XZDPRJUIYSRHDD-SFHVURJKSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1cccnc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093171797 193210872 /nfs/dbraw/zinc/21/08/72/193210872.db2.gz XZDPRJUIYSRHDD-SFHVURJKSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596915 193271297 /nfs/dbraw/zinc/27/12/97/193271297.db2.gz NWLUBLWVTMJTEQ-KRWDZBQOSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596915 193271299 /nfs/dbraw/zinc/27/12/99/193271299.db2.gz NWLUBLWVTMJTEQ-KRWDZBQOSA-N 2 1 324.472 3.303 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770235 193303581 /nfs/dbraw/zinc/30/35/81/193303581.db2.gz FGTWJKPTAVXAPL-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770235 193303584 /nfs/dbraw/zinc/30/35/84/193303584.db2.gz FGTWJKPTAVXAPL-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770235 193303586 /nfs/dbraw/zinc/30/35/86/193303586.db2.gz FGTWJKPTAVXAPL-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000093770235 193303588 /nfs/dbraw/zinc/30/35/88/193303588.db2.gz FGTWJKPTAVXAPL-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP COCCOc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660173 193284331 /nfs/dbraw/zinc/28/43/31/193284331.db2.gz PGHPTPLBLVNQIL-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660173 193284332 /nfs/dbraw/zinc/28/43/32/193284332.db2.gz PGHPTPLBLVNQIL-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000093660173 193284334 /nfs/dbraw/zinc/28/43/34/193284334.db2.gz PGHPTPLBLVNQIL-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000093660173 193284336 /nfs/dbraw/zinc/28/43/36/193284336.db2.gz PGHPTPLBLVNQIL-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CO2 ZINC000093683635 193288103 /nfs/dbraw/zinc/28/81/03/193288103.db2.gz YVIBNIXZFBVJDS-QGZVFWFLSA-N 2 1 312.457 3.270 20 0 DGADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CO2 ZINC000093683635 193288105 /nfs/dbraw/zinc/28/81/05/193288105.db2.gz YVIBNIXZFBVJDS-QGZVFWFLSA-N 2 1 312.457 3.270 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2=CCCOC2)CC1 ZINC000093844580 193318002 /nfs/dbraw/zinc/31/80/02/193318002.db2.gz KVXBDDLNCGSKQS-QGZVFWFLSA-N 2 1 306.494 3.310 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246353901 432121184 /nfs/dbraw/zinc/12/11/84/432121184.db2.gz HWXWSWOAGJCMCE-YQQAZPJKSA-N 2 1 317.477 3.244 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246353901 432121186 /nfs/dbraw/zinc/12/11/86/432121186.db2.gz HWXWSWOAGJCMCE-YQQAZPJKSA-N 2 1 317.477 3.244 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093945753 193331115 /nfs/dbraw/zinc/33/11/15/193331115.db2.gz SQLHRPRNZKVSNK-HNNXBMFYSA-N 2 1 300.450 3.389 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000422695040 296151354 /nfs/dbraw/zinc/15/13/54/296151354.db2.gz OXOLXQSHHMMVQL-AGIUHOORSA-N 2 1 311.267 3.488 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000121450628 284197506 /nfs/dbraw/zinc/19/75/06/284197506.db2.gz KGQLYYQQNNYMID-FNHZYXHNSA-N 2 1 302.462 3.089 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000121450628 284197508 /nfs/dbraw/zinc/19/75/08/284197508.db2.gz KGQLYYQQNNYMID-FNHZYXHNSA-N 2 1 302.462 3.089 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C/C=C\c2ccncc2)C1 ZINC000486964217 245006095 /nfs/dbraw/zinc/00/60/95/245006095.db2.gz HIPNUIGSSNJOIQ-SPCWZHTESA-N 2 1 301.478 3.443 20 0 DGADMP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487268863 245040198 /nfs/dbraw/zinc/04/01/98/245040198.db2.gz HKBRSRBMYBXYFC-PAKAJVGYSA-N 2 1 321.468 3.249 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122819281 284226243 /nfs/dbraw/zinc/22/62/43/284226243.db2.gz MNNVBMPEAJIFMX-IIAWOOMASA-N 2 1 318.461 3.011 20 0 DGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)CC(C)C ZINC000488074056 245142727 /nfs/dbraw/zinc/14/27/27/245142727.db2.gz MCXYBBOTIWQQMR-WNRNVDISSA-N 2 1 308.510 3.290 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)[C@H](C)C1 ZINC000488443239 245192749 /nfs/dbraw/zinc/19/27/49/245192749.db2.gz GIDTYBMCIDZFMK-SJLPKXTDSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](CNc1cc[nH+]c2ccc(Br)cc12)C[NH+](C)C ZINC000488991118 245259327 /nfs/dbraw/zinc/25/93/27/245259327.db2.gz WUTLIZZTLOBFOZ-LLVKDONJSA-N 2 1 322.250 3.029 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000490050385 245376773 /nfs/dbraw/zinc/37/67/73/245376773.db2.gz YURPOLTWCPNFJU-SJORKVTESA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000490050385 245376775 /nfs/dbraw/zinc/37/67/75/245376775.db2.gz YURPOLTWCPNFJU-SJORKVTESA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000490050385 245376778 /nfs/dbraw/zinc/37/67/78/245376778.db2.gz YURPOLTWCPNFJU-SJORKVTESA-N 2 1 310.869 3.444 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000490050385 245376780 /nfs/dbraw/zinc/37/67/80/245376780.db2.gz YURPOLTWCPNFJU-SJORKVTESA-N 2 1 310.869 3.444 20 0 DGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000181349095 432124551 /nfs/dbraw/zinc/12/45/51/432124551.db2.gz MKFDPXSNOTUIKV-GOSISDBHSA-N 2 1 317.521 3.440 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1Br ZINC000274880693 212004362 /nfs/dbraw/zinc/00/43/62/212004362.db2.gz GAJYMCXUEFZHSX-LLVKDONJSA-N 2 1 308.223 3.076 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000282541384 217075224 /nfs/dbraw/zinc/07/52/24/217075224.db2.gz BUSQGANXTLGCJC-ZFWWWQNUSA-N 2 1 303.837 3.320 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](COC)Cc1ccccc1 ZINC000127387286 284337753 /nfs/dbraw/zinc/33/77/53/284337753.db2.gz ZABMHOXONWGWCL-IBGZPJMESA-N 2 1 315.461 3.161 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](COC)Cc1ccccc1 ZINC000127387286 284337757 /nfs/dbraw/zinc/33/77/57/284337757.db2.gz ZABMHOXONWGWCL-IBGZPJMESA-N 2 1 315.461 3.161 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127316423 284335070 /nfs/dbraw/zinc/33/50/70/284335070.db2.gz XHBZSFPONJUOBW-YGRLFVJLSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127316423 284335074 /nfs/dbraw/zinc/33/50/74/284335074.db2.gz XHBZSFPONJUOBW-YGRLFVJLSA-N 2 1 315.230 3.018 20 0 DGADMP c1cc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2s1 ZINC000266265085 205224568 /nfs/dbraw/zinc/22/45/68/205224568.db2.gz PWEJLBGRPKADER-ZDUSSCGKSA-N 2 1 317.458 3.209 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000282879165 217296970 /nfs/dbraw/zinc/29/69/70/217296970.db2.gz VQHNOFFVTHDDCM-OALUTQOASA-N 2 1 314.473 3.066 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)s2)cn1 ZINC000282897198 217308624 /nfs/dbraw/zinc/30/86/24/217308624.db2.gz YJMHKQMLQMSFGQ-HNNXBMFYSA-N 2 1 318.490 3.065 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)s2)cn1 ZINC000282897198 217308628 /nfs/dbraw/zinc/30/86/28/217308628.db2.gz YJMHKQMLQMSFGQ-HNNXBMFYSA-N 2 1 318.490 3.065 20 0 DGADMP CN(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246436002 432130006 /nfs/dbraw/zinc/13/00/06/432130006.db2.gz CUTHNPTZAAOYDR-XLIONFOSSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246436002 432130008 /nfs/dbraw/zinc/13/00/08/432130008.db2.gz CUTHNPTZAAOYDR-XLIONFOSSA-N 2 1 313.489 3.072 20 0 DGADMP CN(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246436002 432130012 /nfs/dbraw/zinc/13/00/12/432130012.db2.gz CUTHNPTZAAOYDR-XLIONFOSSA-N 2 1 313.489 3.072 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1C ZINC000246428040 432130316 /nfs/dbraw/zinc/13/03/16/432130316.db2.gz NQNSCAMQLWXELB-BRSBDYLESA-N 2 1 304.478 3.471 20 0 DGADMP Fc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000020129117 182189878 /nfs/dbraw/zinc/18/98/78/182189878.db2.gz OXHNQVPLFUSBCE-UHFFFAOYSA-N 2 1 315.230 3.164 20 0 DGADMP COCC(C)(C)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000494080668 246111741 /nfs/dbraw/zinc/11/17/41/246111741.db2.gz UZJXCSSKHUQLRX-MRXNPFEDSA-N 2 1 304.478 3.474 20 0 DGADMP C[C@@H]1CC[NH+](C/C=C\C[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000494146463 246117277 /nfs/dbraw/zinc/11/72/77/246117277.db2.gz SZMXZVLZFBYCJO-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CC[N@H+](C/C=C\C[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000494146463 246117278 /nfs/dbraw/zinc/11/72/78/246117278.db2.gz SZMXZVLZFBYCJO-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000494146463 246117280 /nfs/dbraw/zinc/11/72/80/246117280.db2.gz SZMXZVLZFBYCJO-SSGMOAHOSA-N 2 1 314.564 3.197 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(C)c2C)[C@H](C)C1 ZINC000494509766 246157631 /nfs/dbraw/zinc/15/76/31/246157631.db2.gz UHTYULPSZVJLES-AEFFLSMTSA-N 2 1 304.478 3.392 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267453793 206078962 /nfs/dbraw/zinc/07/89/62/206078962.db2.gz SFQGFWFLMSYPFH-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267453793 206078965 /nfs/dbraw/zinc/07/89/65/206078965.db2.gz SFQGFWFLMSYPFH-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453793 206078968 /nfs/dbraw/zinc/07/89/68/206078968.db2.gz SFQGFWFLMSYPFH-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453793 206078972 /nfs/dbraw/zinc/07/89/72/206078972.db2.gz SFQGFWFLMSYPFH-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP COc1ccc2cc(CN3CC[C@@H]4CC[N@@H+](C)C[C@H]43)ccc2c1 ZINC000495126497 246237910 /nfs/dbraw/zinc/23/79/10/246237910.db2.gz HWHKKYDTXWOUBQ-OXJNMPFZSA-N 2 1 310.441 3.374 20 0 DGADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000496220407 246368101 /nfs/dbraw/zinc/36/81/01/246368101.db2.gz XQOKSLGMHTUJHW-DLBZAZTESA-N 2 1 311.385 3.099 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000268804003 432138561 /nfs/dbraw/zinc/13/85/61/432138561.db2.gz FFGDRSGTFMHIMU-XLIONFOSSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000268804003 432138566 /nfs/dbraw/zinc/13/85/66/432138566.db2.gz FFGDRSGTFMHIMU-XLIONFOSSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000268807477 432139159 /nfs/dbraw/zinc/13/91/59/432139159.db2.gz GEOGLTVUPQHVDI-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2Br)CC[N@H+]1C ZINC000268823916 432142991 /nfs/dbraw/zinc/14/29/91/432142991.db2.gz QGUXWOFGRLGCJZ-GXTWGEPZSA-N 2 1 311.267 3.064 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000271845630 209263405 /nfs/dbraw/zinc/26/34/05/209263405.db2.gz HQNINFPDZHXSDO-LBPRGKRZSA-N 2 1 309.251 3.362 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273999808 211257742 /nfs/dbraw/zinc/25/77/42/211257742.db2.gz MYZDNIOXTXXVAC-LUMCNRMDSA-N 2 1 316.489 3.135 20 0 DGADMP CC(C)OCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285020802 218259595 /nfs/dbraw/zinc/25/95/95/218259595.db2.gz HKKISTINNQSVIF-UHFFFAOYSA-N 2 1 304.478 3.444 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000268855932 207023847 /nfs/dbraw/zinc/02/38/47/207023847.db2.gz CUMOAJLFDKUIDN-HKUYNNGSSA-N 2 1 304.478 3.191 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000268871428 207039765 /nfs/dbraw/zinc/03/97/65/207039765.db2.gz PHZGCYAFTPAOFR-ZDUSSCGKSA-N 2 1 304.413 3.138 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000268910657 207076564 /nfs/dbraw/zinc/07/65/64/207076564.db2.gz SLDCKPQISBXQGO-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000268910657 207076566 /nfs/dbraw/zinc/07/65/66/207076566.db2.gz SLDCKPQISBXQGO-FXAWDEMLSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000268902714 207070883 /nfs/dbraw/zinc/07/08/83/207070883.db2.gz RJJOZGARVAZEEJ-UTKZUKDTSA-N 2 1 324.468 3.179 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268925124 207090476 /nfs/dbraw/zinc/09/04/76/207090476.db2.gz RKJBNWWJQLEDHF-JKSUJKDBSA-N 2 1 323.444 3.364 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000268975090 207136794 /nfs/dbraw/zinc/13/67/94/207136794.db2.gz NCMKIAFINKGIQV-YJBOKZPZSA-N 2 1 315.486 3.186 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000097 207156476 /nfs/dbraw/zinc/15/64/76/207156476.db2.gz OUZJPTFYHQTVIC-LPHOPBHVSA-N 2 1 311.429 3.258 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000097 207156479 /nfs/dbraw/zinc/15/64/79/207156479.db2.gz OUZJPTFYHQTVIC-LPHOPBHVSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000097 207156481 /nfs/dbraw/zinc/15/64/81/207156481.db2.gz OUZJPTFYHQTVIC-LPHOPBHVSA-N 2 1 311.429 3.258 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CC[C@@H]21 ZINC000269000097 207156484 /nfs/dbraw/zinc/15/64/84/207156484.db2.gz OUZJPTFYHQTVIC-LPHOPBHVSA-N 2 1 311.429 3.258 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc1 ZINC000269002367 207157716 /nfs/dbraw/zinc/15/77/16/207157716.db2.gz PKFHTRVHCRKQDN-ZNMIVQPWSA-N 2 1 301.434 3.238 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000269016523 207168472 /nfs/dbraw/zinc/16/84/72/207168472.db2.gz OTIDNYOTLILNCY-CQSZACIVSA-N 2 1 315.461 3.313 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000269070696 207219995 /nfs/dbraw/zinc/21/99/95/207219995.db2.gz ZYQKILPLFHEADG-RCDICMHDSA-N 2 1 320.502 3.092 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000269135560 207265988 /nfs/dbraw/zinc/26/59/88/207265988.db2.gz RHNZRTYMHPEMLX-UHFFFAOYSA-N 2 1 318.852 3.057 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000248642658 285013298 /nfs/dbraw/zinc/01/32/98/285013298.db2.gz MZDSDNCPPSCPOE-VPWXQRGCSA-N 2 1 316.489 3.435 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248743003 285022246 /nfs/dbraw/zinc/02/22/46/285022246.db2.gz RRNIJYCHWAGKOA-WCXIOVBPSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248743003 285022247 /nfs/dbraw/zinc/02/22/47/285022247.db2.gz RRNIJYCHWAGKOA-WCXIOVBPSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000423322499 533003068 /nfs/dbraw/zinc/00/30/68/533003068.db2.gz HGMJOKUYZMMOEO-HZPDHXFCSA-N 2 1 317.477 3.091 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000429546237 533008541 /nfs/dbraw/zinc/00/85/41/533008541.db2.gz BIXCYXGKDJEOLX-CABCVRRESA-N 2 1 311.429 3.165 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000429546237 533008546 /nfs/dbraw/zinc/00/85/46/533008546.db2.gz BIXCYXGKDJEOLX-CABCVRRESA-N 2 1 311.429 3.165 20 0 DGADMP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249174421 285061562 /nfs/dbraw/zinc/06/15/62/285061562.db2.gz DKVAMRWGXFZLME-ZACQAIPSSA-N 2 1 322.468 3.236 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000249405115 285072323 /nfs/dbraw/zinc/07/23/23/285072323.db2.gz XCDBOZJTDPQDTC-WBMJQRKESA-N 2 1 323.278 3.368 20 0 DGADMP CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249407565 285072896 /nfs/dbraw/zinc/07/28/96/285072896.db2.gz UPVHFLNDZIBNQE-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249407565 285072897 /nfs/dbraw/zinc/07/28/97/285072897.db2.gz UPVHFLNDZIBNQE-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249407565 285072898 /nfs/dbraw/zinc/07/28/98/285072898.db2.gz UPVHFLNDZIBNQE-UFYCRDLUSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)CC1 ZINC000336833696 253004583 /nfs/dbraw/zinc/00/45/83/253004583.db2.gz DKIFWXGOBMXXGY-HNNXBMFYSA-N 2 1 305.491 3.184 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337407816 253109818 /nfs/dbraw/zinc/10/98/18/253109818.db2.gz VCKCZNLUXWTXDA-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337407816 253109821 /nfs/dbraw/zinc/10/98/21/253109821.db2.gz VCKCZNLUXWTXDA-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000337344212 253092756 /nfs/dbraw/zinc/09/27/56/253092756.db2.gz SZRGSOJMBXQVNJ-ZHALLVOQSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000337344212 253092757 /nfs/dbraw/zinc/09/27/57/253092757.db2.gz SZRGSOJMBXQVNJ-ZHALLVOQSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCC4)c2)CCO1 ZINC000337524651 253133016 /nfs/dbraw/zinc/13/30/16/253133016.db2.gz RHUMFCNABBSRKS-APWZRJJASA-N 2 1 314.473 3.330 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCC4)c2)CCO1 ZINC000337524651 253133018 /nfs/dbraw/zinc/13/30/18/253133018.db2.gz RHUMFCNABBSRKS-APWZRJJASA-N 2 1 314.473 3.330 20 0 DGADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337652089 253154019 /nfs/dbraw/zinc/15/40/19/253154019.db2.gz DVXCVPWNFQRRMX-UXPWSPDFSA-N 2 1 316.489 3.114 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000338015905 253210797 /nfs/dbraw/zinc/21/07/97/253210797.db2.gz XVBFGWCOCSJYQV-VQIMIIECSA-N 3 1 318.509 3.214 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000252644198 285103120 /nfs/dbraw/zinc/10/31/20/285103120.db2.gz NOLYUVGJPQRVBQ-PXNSSMCTSA-N 3 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000252644198 285103123 /nfs/dbraw/zinc/10/31/23/285103123.db2.gz NOLYUVGJPQRVBQ-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000252644198 285103126 /nfs/dbraw/zinc/10/31/26/285103126.db2.gz NOLYUVGJPQRVBQ-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)[C@@H](C)C1 ZINC000252644198 285103128 /nfs/dbraw/zinc/10/31/28/285103128.db2.gz NOLYUVGJPQRVBQ-PXNSSMCTSA-N 2 1 317.521 3.348 20 0 DGADMP CCc1nc2cc(C[NH2+]C3CC[NH+](C)CC3)ccc2n1C1CC1 ZINC000338456531 253290502 /nfs/dbraw/zinc/29/05/02/253290502.db2.gz KZPANNJPGKHQAQ-UHFFFAOYSA-N 2 1 312.461 3.117 20 0 DGADMP CC[C@H](F)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338631542 253322891 /nfs/dbraw/zinc/32/28/91/253322891.db2.gz GFBATKHXEZKGQG-KBPBESRZSA-N 2 1 311.470 3.178 20 0 DGADMP CC[C@H](F)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338631542 253322893 /nfs/dbraw/zinc/32/28/93/253322893.db2.gz GFBATKHXEZKGQG-KBPBESRZSA-N 2 1 311.470 3.178 20 0 DGADMP OCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159015014 197318678 /nfs/dbraw/zinc/31/86/78/197318678.db2.gz JIMKBDZDNCNMFA-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP OCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159015014 197318680 /nfs/dbraw/zinc/31/86/80/197318680.db2.gz JIMKBDZDNCNMFA-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP OCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159015014 197318681 /nfs/dbraw/zinc/31/86/81/197318681.db2.gz JIMKBDZDNCNMFA-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000339059471 253399478 /nfs/dbraw/zinc/39/94/78/253399478.db2.gz DTJPTJCDJZHFAD-UHFFFAOYSA-N 2 1 324.472 3.387 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000272007568 209378725 /nfs/dbraw/zinc/37/87/25/209378725.db2.gz FMIVYIXXHMXCPR-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP C[N@H+](CCCO)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000158391187 197268419 /nfs/dbraw/zinc/26/84/19/197268419.db2.gz AVWFKQMKMITDHZ-UHFFFAOYSA-N 2 1 324.896 3.051 20 0 DGADMP C[N@@H+](CCCO)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000158391187 197268421 /nfs/dbraw/zinc/26/84/21/197268421.db2.gz AVWFKQMKMITDHZ-UHFFFAOYSA-N 2 1 324.896 3.051 20 0 DGADMP CN(Cc1ccccc1OC(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000342546354 254005094 /nfs/dbraw/zinc/00/50/94/254005094.db2.gz NSWGTOBAZZAQBG-ZDUSSCGKSA-N 2 1 316.367 3.359 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000342608190 254017920 /nfs/dbraw/zinc/01/79/20/254017920.db2.gz VFMOUHPGFOTCAX-INIZCTEOSA-N 2 1 301.459 3.306 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000342608190 254017923 /nfs/dbraw/zinc/01/79/23/254017923.db2.gz VFMOUHPGFOTCAX-INIZCTEOSA-N 2 1 301.459 3.306 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)C(C)(C)C ZINC000342734900 254039413 /nfs/dbraw/zinc/03/94/13/254039413.db2.gz VEZXOSFGESRYON-HNNXBMFYSA-N 2 1 306.498 3.230 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC3(C)C)c2)CCO1 ZINC000342734466 254039574 /nfs/dbraw/zinc/03/95/74/254039574.db2.gz NWCQLXGJMNIVPS-CRAIPNDOSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC3(C)C)c2)CCO1 ZINC000342734466 254039576 /nfs/dbraw/zinc/03/95/76/254039576.db2.gz NWCQLXGJMNIVPS-CRAIPNDOSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1ccnc1 ZINC000342746738 254041850 /nfs/dbraw/zinc/04/18/50/254041850.db2.gz GXIXTTFRCNKRKZ-SWLSCSKDSA-N 2 1 302.447 3.300 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1ccnc1 ZINC000342746738 254041851 /nfs/dbraw/zinc/04/18/51/254041851.db2.gz GXIXTTFRCNKRKZ-SWLSCSKDSA-N 2 1 302.447 3.300 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000342865264 254067555 /nfs/dbraw/zinc/06/75/55/254067555.db2.gz UDXDMAIGVCPUPG-BBWFWOEESA-N 2 1 305.466 3.107 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000342865264 254067557 /nfs/dbraw/zinc/06/75/57/254067557.db2.gz UDXDMAIGVCPUPG-BBWFWOEESA-N 2 1 305.466 3.107 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000343559443 254160816 /nfs/dbraw/zinc/16/08/16/254160816.db2.gz DIKHDCOJCNWUCV-MRXNPFEDSA-N 2 1 317.477 3.197 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000343559443 254160818 /nfs/dbraw/zinc/16/08/18/254160818.db2.gz DIKHDCOJCNWUCV-MRXNPFEDSA-N 2 1 317.477 3.197 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000343559443 254160820 /nfs/dbraw/zinc/16/08/20/254160820.db2.gz DIKHDCOJCNWUCV-MRXNPFEDSA-N 2 1 317.477 3.197 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000343441108 254143567 /nfs/dbraw/zinc/14/35/67/254143567.db2.gz IVPISWWTRCDYPH-BDXSIMOUSA-N 2 1 301.478 3.489 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000343441108 254143569 /nfs/dbraw/zinc/14/35/69/254143569.db2.gz IVPISWWTRCDYPH-BDXSIMOUSA-N 2 1 301.478 3.489 20 0 DGADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC(C)C ZINC000343606492 254166958 /nfs/dbraw/zinc/16/69/58/254166958.db2.gz VNOMBFXPDUHCBE-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC(C)C ZINC000343606492 254166959 /nfs/dbraw/zinc/16/69/59/254166959.db2.gz VNOMBFXPDUHCBE-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000157278733 197176115 /nfs/dbraw/zinc/17/61/15/197176115.db2.gz WTAPKENAISNLRI-QGZVFWFLSA-N 2 1 317.477 3.157 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080324 254222621 /nfs/dbraw/zinc/22/26/21/254222621.db2.gz VACWWBILGNARLV-FGTMMUONSA-N 2 1 306.494 3.188 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080324 254222623 /nfs/dbraw/zinc/22/26/23/254222623.db2.gz VACWWBILGNARLV-FGTMMUONSA-N 2 1 306.494 3.188 20 0 DGADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664895 254294311 /nfs/dbraw/zinc/29/43/11/254294311.db2.gz IZHNEYSHMHERLQ-IEBWSBKVSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664895 254294312 /nfs/dbraw/zinc/29/43/12/254294312.db2.gz IZHNEYSHMHERLQ-IEBWSBKVSA-N 3 1 317.521 3.217 20 0 DGADMP C[C@@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664895 254294313 /nfs/dbraw/zinc/29/43/13/254294313.db2.gz IZHNEYSHMHERLQ-IEBWSBKVSA-N 3 1 317.521 3.217 20 0 DGADMP Cc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000344690221 254295742 /nfs/dbraw/zinc/29/57/42/254295742.db2.gz WMGDYYLFPIPALC-QWRGUYRKSA-N 2 1 317.296 3.391 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344768584 254303943 /nfs/dbraw/zinc/30/39/43/254303943.db2.gz TWAKURFUWWZBKV-PXNSSMCTSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344768584 254303944 /nfs/dbraw/zinc/30/39/44/254303944.db2.gz TWAKURFUWWZBKV-PXNSSMCTSA-N 2 1 316.489 3.182 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(COC)o1 ZINC000344814512 254308210 /nfs/dbraw/zinc/30/82/10/254308210.db2.gz JVNDNZSXDAYUGL-YJBOKZPZSA-N 2 1 308.466 3.416 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000344844602 254310546 /nfs/dbraw/zinc/31/05/46/254310546.db2.gz SBMBJFFIHPEMSP-ZBFHGGJFSA-N 2 1 324.538 3.199 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000261817259 285192872 /nfs/dbraw/zinc/19/28/72/285192872.db2.gz ICMXEBHQDWIUKM-NVXWUHKLSA-N 2 1 310.445 3.019 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000423322777 533147575 /nfs/dbraw/zinc/14/75/75/533147575.db2.gz GYMKOUVUHACEFS-HAGHYFMRSA-N 2 1 314.473 3.309 20 0 DGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272195328 285209667 /nfs/dbraw/zinc/20/96/67/285209667.db2.gz NLEUGCYZVZZELJ-YOEHRIQHSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195328 285209671 /nfs/dbraw/zinc/20/96/71/285209671.db2.gz NLEUGCYZVZZELJ-YOEHRIQHSA-N 2 1 315.486 3.452 20 0 DGADMP CCCCOCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272367734 285210838 /nfs/dbraw/zinc/21/08/38/285210838.db2.gz ALYLJADGGUGBJW-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000247237056 285238968 /nfs/dbraw/zinc/23/89/68/285238968.db2.gz YSJTYWKHFRPVAM-OXJNMPFZSA-N 2 1 316.489 3.433 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccncc2C)C1 ZINC000120553999 195188857 /nfs/dbraw/zinc/18/88/57/195188857.db2.gz LMXQWEJYCLUKAQ-HNNXBMFYSA-N 2 1 318.465 3.412 20 0 DGADMP CSC1(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000289529527 221043972 /nfs/dbraw/zinc/04/39/72/221043972.db2.gz GMURRCUIAYYLGA-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP CSC1(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289529527 221043975 /nfs/dbraw/zinc/04/39/75/221043975.db2.gz GMURRCUIAYYLGA-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP CSC1(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289529527 221043978 /nfs/dbraw/zinc/04/39/78/221043978.db2.gz GMURRCUIAYYLGA-KRWDZBQOSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289585769 221085207 /nfs/dbraw/zinc/08/52/07/221085207.db2.gz FBTIWZKRKIBJQE-LLVKDONJSA-N 2 1 323.238 3.090 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000289878063 221286806 /nfs/dbraw/zinc/28/68/06/221286806.db2.gz SLKIKZLBGQWECG-HUUCEWRRSA-N 2 1 306.450 3.172 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000289878063 221286810 /nfs/dbraw/zinc/28/68/10/221286810.db2.gz SLKIKZLBGQWECG-HUUCEWRRSA-N 2 1 306.450 3.172 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)C(C)(C)C ZINC000290023337 221386056 /nfs/dbraw/zinc/38/60/56/221386056.db2.gz SVQLPAASTSWMHY-SFHVURJKSA-N 2 1 319.493 3.027 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000352242411 285352234 /nfs/dbraw/zinc/35/22/34/285352234.db2.gz VCKHXDBGHRIZKY-ZWKOTPCHSA-N 2 1 324.509 3.306 20 0 DGADMP CCOC(=O)CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000352242411 285352236 /nfs/dbraw/zinc/35/22/36/285352236.db2.gz VCKHXDBGHRIZKY-ZWKOTPCHSA-N 2 1 324.509 3.306 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1F ZINC000352539675 285354657 /nfs/dbraw/zinc/35/46/57/285354657.db2.gz BRPTWKFBZNXJJJ-GDBMZVCRSA-N 2 1 308.441 3.216 20 0 DGADMP Cc1nc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2s1 ZINC000352541002 285355949 /nfs/dbraw/zinc/35/59/49/285355949.db2.gz SBVBMHLQMHQXSE-QGZVFWFLSA-N 2 1 301.459 3.180 20 0 DGADMP Cc1nc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2s1 ZINC000352541002 285355952 /nfs/dbraw/zinc/35/59/52/285355952.db2.gz SBVBMHLQMHQXSE-QGZVFWFLSA-N 2 1 301.459 3.180 20 0 DGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1cccs1)CC1CCCC1 ZINC000352540573 285355395 /nfs/dbraw/zinc/35/53/95/285355395.db2.gz MUXVDFRFDPXGQN-UHFFFAOYSA-N 2 1 318.490 3.479 20 0 DGADMP c1ccc(OCCCCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352540360 285355530 /nfs/dbraw/zinc/35/55/30/285355530.db2.gz KGHYMLHWUIUYEL-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000121046168 195287495 /nfs/dbraw/zinc/28/74/95/195287495.db2.gz SZKUXAPIXPKCJB-OXJNMPFZSA-N 2 1 314.473 3.090 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000121807702 195351489 /nfs/dbraw/zinc/35/14/89/195351489.db2.gz WIIZMNZGVQINKV-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000121807702 195351492 /nfs/dbraw/zinc/35/14/92/195351492.db2.gz WIIZMNZGVQINKV-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121807702 195351495 /nfs/dbraw/zinc/35/14/95/195351495.db2.gz WIIZMNZGVQINKV-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121807702 195351498 /nfs/dbraw/zinc/35/14/98/195351498.db2.gz WIIZMNZGVQINKV-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000432409998 533381155 /nfs/dbraw/zinc/38/11/55/533381155.db2.gz KXNLILASIQWENA-IAGOWNOFSA-N 2 1 316.489 3.327 20 0 DGADMP COC(=O)c1coc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000278327916 292033672 /nfs/dbraw/zinc/03/36/72/292033672.db2.gz VUVXAVMREXMFNL-GJZGRUSLSA-N 2 1 322.449 3.229 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090881624 400079937 /nfs/dbraw/zinc/07/99/37/400079937.db2.gz OVHOUCGXUNQICF-BBRMVZONSA-N 2 1 310.869 3.211 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500468 400080486 /nfs/dbraw/zinc/08/04/86/400080486.db2.gz SVQDQTTZOVMMOW-GSEOLPGOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500468 400080488 /nfs/dbraw/zinc/08/04/88/400080488.db2.gz SVQDQTTZOVMMOW-GSEOLPGOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000608500468 400080491 /nfs/dbraw/zinc/08/04/91/400080491.db2.gz SVQDQTTZOVMMOW-GSEOLPGOSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000608500468 400080493 /nfs/dbraw/zinc/08/04/93/400080493.db2.gz SVQDQTTZOVMMOW-GSEOLPGOSA-N 2 1 316.489 3.132 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000595336398 400131080 /nfs/dbraw/zinc/13/10/80/400131080.db2.gz HMUUGMRSPOQGTB-OALUTQOASA-N 2 1 321.553 3.303 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000067672099 400191562 /nfs/dbraw/zinc/19/15/62/400191562.db2.gz SMDZCTZFTORYTM-UHFFFAOYSA-N 2 1 312.442 3.495 20 0 DGADMP CCCCOCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821013 400207373 /nfs/dbraw/zinc/20/73/73/400207373.db2.gz RSMOYKLTMKRYTE-UHFFFAOYSA-N 2 1 319.493 3.437 20 0 DGADMP CCCOc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000120523199 400445628 /nfs/dbraw/zinc/44/56/28/400445628.db2.gz SYOFUNCAGSVOQJ-UHFFFAOYSA-N 2 1 311.429 3.193 20 0 DGADMP Fc1ccc(OCCC[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000591081909 400483804 /nfs/dbraw/zinc/48/38/04/400483804.db2.gz BLNWHRJWMCEZJW-INIZCTEOSA-N 2 1 303.381 3.128 20 0 DGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000603517266 400697308 /nfs/dbraw/zinc/69/73/08/400697308.db2.gz LORUIHXAMXCXPC-LJQANCHMSA-N 2 1 316.489 3.345 20 0 DGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000592849675 400709625 /nfs/dbraw/zinc/70/96/25/400709625.db2.gz IQXMMWIGEQIYAB-UHFFFAOYSA-N 2 1 317.477 3.343 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593095451 400761762 /nfs/dbraw/zinc/76/17/62/400761762.db2.gz MLARZDKVOMYBFZ-CVEARBPZSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593095451 400761763 /nfs/dbraw/zinc/76/17/63/400761763.db2.gz MLARZDKVOMYBFZ-CVEARBPZSA-N 2 1 310.482 3.057 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593095451 400761764 /nfs/dbraw/zinc/76/17/64/400761764.db2.gz MLARZDKVOMYBFZ-CVEARBPZSA-N 2 1 310.482 3.057 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000629508872 400951017 /nfs/dbraw/zinc/95/10/17/400951017.db2.gz FBFDBGBGPQZRBE-UHFFFAOYSA-N 2 1 301.478 3.484 20 0 DGADMP CCc1nc(C(C)C)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000629508872 400951020 /nfs/dbraw/zinc/95/10/20/400951020.db2.gz FBFDBGBGPQZRBE-UHFFFAOYSA-N 2 1 301.478 3.484 20 0 DGADMP COC1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000080249858 400936019 /nfs/dbraw/zinc/93/60/19/400936019.db2.gz AJFGODXGSRLVLK-UHFFFAOYSA-N 2 1 319.836 3.411 20 0 DGADMP COC[C@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629590277 400985065 /nfs/dbraw/zinc/98/50/65/400985065.db2.gz SFZZCPINSCVGRS-SQGPQFPESA-N 2 1 316.489 3.401 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629653315 401020464 /nfs/dbraw/zinc/02/04/64/401020464.db2.gz DWXURQFCICVYJH-GXTWGEPZSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629653315 401020471 /nfs/dbraw/zinc/02/04/71/401020471.db2.gz DWXURQFCICVYJH-GXTWGEPZSA-N 2 1 304.331 3.093 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CO2 ZINC000629652797 401017955 /nfs/dbraw/zinc/01/79/55/401017955.db2.gz CWEYFMQUEUJWGD-RBUKOAKNSA-N 2 1 312.457 3.174 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1C(F)(F)F ZINC000629562437 400977544 /nfs/dbraw/zinc/97/75/44/400977544.db2.gz NBHSLISCDJOPQH-HZPDHXFCSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1C(F)(F)F ZINC000629562437 400977551 /nfs/dbraw/zinc/97/75/51/400977551.db2.gz NBHSLISCDJOPQH-HZPDHXFCSA-N 2 1 312.379 3.134 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@H]1C(F)(F)F ZINC000629561936 400977827 /nfs/dbraw/zinc/97/78/27/400977827.db2.gz KPHHKNQHEVXCNY-LSDHHAIUSA-N 2 1 322.415 3.042 20 0 DGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CCOCC[NH3+] ZINC000629578772 400979701 /nfs/dbraw/zinc/97/97/01/400979701.db2.gz MMQGOPQHIDHTPA-UHFFFAOYSA-N 2 1 316.445 3.034 20 0 DGADMP C[NH+](C)CCOc1cccc(-c2ccc(C(F)(F)C[NH3+])cc2)c1 ZINC000629701727 401048535 /nfs/dbraw/zinc/04/85/35/401048535.db2.gz ZCLCANPNXUHQPK-UHFFFAOYSA-N 2 1 320.383 3.345 20 0 DGADMP C[C@@H]1Cc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2C[NH2+]1 ZINC000629733241 401064864 /nfs/dbraw/zinc/06/48/64/401064864.db2.gz KUMRHHWFPJPUMY-MRXNPFEDSA-N 2 1 322.452 3.220 20 0 DGADMP CC(C)CC[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000629679358 401033807 /nfs/dbraw/zinc/03/38/07/401033807.db2.gz ZKBMTORQRYTBKF-HNNXBMFYSA-N 2 1 302.422 3.234 20 0 DGADMP CC(C)(C)OC(=O)CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246701103 401034286 /nfs/dbraw/zinc/03/42/86/401034286.db2.gz NCVNYWJNIFLLQU-CVEARBPZSA-N 2 1 310.482 3.105 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223218 286002110 /nfs/dbraw/zinc/00/21/10/286002110.db2.gz AHHGTMDHMVMXDJ-JXFKEZNVSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000358223218 286002112 /nfs/dbraw/zinc/00/21/12/286002112.db2.gz AHHGTMDHMVMXDJ-JXFKEZNVSA-N 2 1 310.441 3.071 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223208 286002254 /nfs/dbraw/zinc/00/22/54/286002254.db2.gz AGDZHJGCNAUMTR-SFTDATJTSA-N 2 1 324.468 3.017 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000358223208 286002255 /nfs/dbraw/zinc/00/22/55/286002255.db2.gz AGDZHJGCNAUMTR-SFTDATJTSA-N 2 1 324.468 3.017 20 0 DGADMP CC(C)CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227320 286004020 /nfs/dbraw/zinc/00/40/20/286004020.db2.gz DPRHKGBSIIHOBO-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227320 286004021 /nfs/dbraw/zinc/00/40/21/286004021.db2.gz DPRHKGBSIIHOBO-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP Cn1cc(C[NH2+]C2CC[NH+](C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000607956575 401159946 /nfs/dbraw/zinc/15/99/46/401159946.db2.gz ZSVTZQLHTFJZQD-UHFFFAOYSA-N 2 1 324.428 3.017 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253163 286011708 /nfs/dbraw/zinc/01/17/08/286011708.db2.gz NNYWZVPXAZILHW-JXFKEZNVSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253163 286011709 /nfs/dbraw/zinc/01/17/09/286011709.db2.gz NNYWZVPXAZILHW-JXFKEZNVSA-N 2 1 310.441 3.071 20 0 DGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271879862 286025703 /nfs/dbraw/zinc/02/57/03/286025703.db2.gz PEHPZLZUFLJORR-KRXQYRFLSA-N 2 1 306.425 3.118 20 0 DGADMP CCOc1cncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000621343420 401175097 /nfs/dbraw/zinc/17/50/97/401175097.db2.gz GBBZSOGNOLBEOJ-NVXWUHKLSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000621343420 401175102 /nfs/dbraw/zinc/17/51/02/401175102.db2.gz GBBZSOGNOLBEOJ-NVXWUHKLSA-N 2 1 317.477 3.223 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000608499822 401264000 /nfs/dbraw/zinc/26/40/00/401264000.db2.gz UDXRGZIQISEKQK-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000608499822 401264003 /nfs/dbraw/zinc/26/40/03/401264003.db2.gz UDXRGZIQISEKQK-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234759 401264351 /nfs/dbraw/zinc/26/43/51/401264351.db2.gz LQMJHIJWRLTSET-JSGCOSHPSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H]([NH2+]Cc1ncccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000090721176 401271851 /nfs/dbraw/zinc/27/18/51/401271851.db2.gz WTAJLDRYQWJADE-CQSZACIVSA-N 2 1 317.408 3.012 20 0 DGADMP Clc1ccc(COCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090806100 401273886 /nfs/dbraw/zinc/27/38/86/401273886.db2.gz QICOUNHXTYGMBX-IAGOWNOFSA-N 2 1 308.853 3.073 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[C@@H](C)CO)cc1 ZINC000358366715 286042990 /nfs/dbraw/zinc/04/29/90/286042990.db2.gz JFYRRFFEGUTHRK-CABCVRRESA-N 2 1 301.434 3.240 20 0 DGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000358349258 286039061 /nfs/dbraw/zinc/03/90/61/286039061.db2.gz DLKROLOMTYNNJZ-YLJYHZDGSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000358349258 286039063 /nfs/dbraw/zinc/03/90/63/286039063.db2.gz DLKROLOMTYNNJZ-YLJYHZDGSA-N 2 1 309.457 3.390 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000622043581 401338519 /nfs/dbraw/zinc/33/85/19/401338519.db2.gz DVRQWDVTTPIKQY-CGTJXYLNSA-N 2 1 306.425 3.235 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000634732228 401340764 /nfs/dbraw/zinc/34/07/64/401340764.db2.gz BAAJNGBSBGRJQF-QGZVFWFLSA-N 2 1 310.445 3.011 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000631041970 401375991 /nfs/dbraw/zinc/37/59/91/401375991.db2.gz DVKMFTOGZGBHET-MRXNPFEDSA-N 2 1 317.477 3.389 20 0 DGADMP Cc1cc(C)c(/C=C\C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1C ZINC000631167315 401414372 /nfs/dbraw/zinc/41/43/72/401414372.db2.gz UZVNTVYGBLWIKI-WAYWQWQTSA-N 2 1 316.489 3.061 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(F)c1 ZINC000631057004 401380166 /nfs/dbraw/zinc/38/01/66/401380166.db2.gz QDTOYXAIJGCEST-UHFFFAOYSA-N 2 1 316.420 3.364 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)[C@H]1CC[NH3+] ZINC000634996679 401397559 /nfs/dbraw/zinc/39/75/59/401397559.db2.gz QMNTZJOOUVKVFV-YWZLYKJASA-N 2 1 324.472 3.280 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000635010350 401402996 /nfs/dbraw/zinc/40/29/96/401402996.db2.gz JWHCSYFZUHXGDO-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CN1Cc1ccccc1 ZINC000635010350 401402997 /nfs/dbraw/zinc/40/29/97/401402997.db2.gz JWHCSYFZUHXGDO-NZSAHSFTSA-N 2 1 315.505 3.017 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000631185695 401419274 /nfs/dbraw/zinc/41/92/74/401419274.db2.gz ABGPRKOCHXTISF-MLHJIOFPSA-N 2 1 320.864 3.386 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631192958 401421818 /nfs/dbraw/zinc/42/18/18/401421818.db2.gz BLMUNFVXPAOXJJ-YLJYHZDGSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195408 401423097 /nfs/dbraw/zinc/42/30/97/401423097.db2.gz GQAAXKHYAWOOHH-KBXCAEBGSA-N 2 1 313.445 3.149 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195408 401423098 /nfs/dbraw/zinc/42/30/98/401423098.db2.gz GQAAXKHYAWOOHH-KBXCAEBGSA-N 2 1 313.445 3.149 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631196024 401423746 /nfs/dbraw/zinc/42/37/46/401423746.db2.gz MXXXUXZDLTXCFU-OXQOHEQNSA-N 2 1 309.457 3.248 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196371 401423804 /nfs/dbraw/zinc/42/38/04/401423804.db2.gz QODZPNXSAYDRKG-FUHWJXTLSA-N 2 1 304.478 3.017 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000631199785 401424548 /nfs/dbraw/zinc/42/45/48/401424548.db2.gz RPXYQNJNCCOMAC-BHIYHBOVSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000631199785 401424550 /nfs/dbraw/zinc/42/45/50/401424550.db2.gz RPXYQNJNCCOMAC-BHIYHBOVSA-N 2 1 304.478 3.180 20 0 DGADMP COc1cc(Cl)c(C[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000623086399 401462859 /nfs/dbraw/zinc/46/28/59/401462859.db2.gz NXNWWBPQHHRXKR-UHFFFAOYSA-N 2 1 314.216 3.068 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086556 401463181 /nfs/dbraw/zinc/46/31/81/401463181.db2.gz ZTWNSHCYTJONLE-UHFFFAOYSA-N 2 1 314.216 3.068 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631564165 401497951 /nfs/dbraw/zinc/49/79/51/401497951.db2.gz CRCYLYJEQFWSHR-QGZVFWFLSA-N 2 1 318.461 3.373 20 0 DGADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647819 401523433 /nfs/dbraw/zinc/52/34/33/401523433.db2.gz INRDZXIOXUINNG-HCXYKTFWSA-N 2 1 318.505 3.046 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000631665356 401529316 /nfs/dbraw/zinc/52/93/16/401529316.db2.gz WLNKKQASHSNZJR-UWVAXJGDSA-N 2 1 316.489 3.159 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668416 401531159 /nfs/dbraw/zinc/53/11/59/401531159.db2.gz XOXRBQALWUPFFF-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668416 401531162 /nfs/dbraw/zinc/53/11/62/401531162.db2.gz XOXRBQALWUPFFF-UHOSZYNNSA-N 2 1 304.478 3.038 20 0 DGADMP c1[nH]nc2cccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000623336095 401493337 /nfs/dbraw/zinc/49/33/37/401493337.db2.gz VHLKEKMOBVZRNH-UHFFFAOYSA-N 2 1 320.440 3.317 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656621 401562964 /nfs/dbraw/zinc/56/29/64/401562964.db2.gz YMYIXLHETCKGOG-MRXNPFEDSA-N 2 1 312.461 3.207 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000623656395 401563826 /nfs/dbraw/zinc/56/38/26/401563826.db2.gz UEHAIQFHGATGAP-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000628280479 401566457 /nfs/dbraw/zinc/56/64/57/401566457.db2.gz MADCSRNIKWRIPZ-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC000628280479 401566459 /nfs/dbraw/zinc/56/64/59/401566459.db2.gz MADCSRNIKWRIPZ-UHFFFAOYSA-N 2 1 311.433 3.234 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000358476931 286072257 /nfs/dbraw/zinc/07/22/57/286072257.db2.gz ZIPKKWUJTWVTDK-ZQIUZPCESA-N 2 1 316.493 3.397 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000358476931 286072258 /nfs/dbraw/zinc/07/22/58/286072258.db2.gz ZIPKKWUJTWVTDK-ZQIUZPCESA-N 2 1 316.493 3.397 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000623894509 401595582 /nfs/dbraw/zinc/59/55/82/401595582.db2.gz UWLGSJWPVUSVEQ-SFHVURJKSA-N 2 1 304.478 3.098 20 0 DGADMP CCN(Cc1nc(C)c[nH]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628186979 401544670 /nfs/dbraw/zinc/54/46/70/401544670.db2.gz BPQVRGNBFOPRBU-GOSISDBHSA-N 2 1 312.461 3.062 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000631826501 401559722 /nfs/dbraw/zinc/55/97/22/401559722.db2.gz OWPOCFWPOUOGSQ-ROUUACIJSA-N 2 1 301.478 3.218 20 0 DGADMP CC(C)CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624110286 401627031 /nfs/dbraw/zinc/62/70/31/401627031.db2.gz UUFFPHTVUUHNKV-YZGWKJHDSA-N 2 1 318.505 3.284 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119955 401628312 /nfs/dbraw/zinc/62/83/12/401628312.db2.gz NEHWYFVHJHTIHT-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119955 401628315 /nfs/dbraw/zinc/62/83/15/401628315.db2.gz NEHWYFVHJHTIHT-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119685 401628476 /nfs/dbraw/zinc/62/84/76/401628476.db2.gz HDBUVKPGBOAARV-DLBZAZTESA-N 2 1 317.477 3.034 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119625 401628614 /nfs/dbraw/zinc/62/86/14/401628614.db2.gz GJHMLEARYULUFZ-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119625 401628616 /nfs/dbraw/zinc/62/86/16/401628616.db2.gz GJHMLEARYULUFZ-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121950 401628923 /nfs/dbraw/zinc/62/89/23/401628923.db2.gz GMECHBSRBYEXDX-GDBMZVCRSA-N 2 1 303.450 3.028 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123396 401629865 /nfs/dbraw/zinc/62/98/65/401629865.db2.gz LCZWQSZTGMDNMB-BBRMVZONSA-N 2 1 306.425 3.143 20 0 DGADMP C[NH+]1CCC(N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288305 401646547 /nfs/dbraw/zinc/64/65/47/401646547.db2.gz GURLDHDKHMQAFT-HNNXBMFYSA-N 2 1 317.260 3.101 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501554 286079108 /nfs/dbraw/zinc/07/91/08/286079108.db2.gz AKITWTXSVKPOMN-UHFFFAOYSA-N 2 1 311.429 3.226 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000358520483 286082683 /nfs/dbraw/zinc/08/26/83/286082683.db2.gz VDESZZKNUSWPRO-UHFFFAOYSA-N 2 1 314.473 3.390 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000358564075 286094474 /nfs/dbraw/zinc/09/44/74/286094474.db2.gz WRXYFZYZEHDIDJ-UMGGQSCQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000358564075 286094475 /nfs/dbraw/zinc/09/44/75/286094475.db2.gz WRXYFZYZEHDIDJ-UMGGQSCQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000358726281 286133791 /nfs/dbraw/zinc/13/37/91/286133791.db2.gz QARGGLCKLPNSIU-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000358726281 286133792 /nfs/dbraw/zinc/13/37/92/286133792.db2.gz QARGGLCKLPNSIU-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H](NCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828557 286163627 /nfs/dbraw/zinc/16/36/27/286163627.db2.gz OTZMPCATBZNNQH-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000358913700 286185931 /nfs/dbraw/zinc/18/59/31/286185931.db2.gz FIRRVWVBMNOGSS-KRWDZBQOSA-N 2 1 317.408 3.159 20 0 DGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000358913700 286185933 /nfs/dbraw/zinc/18/59/33/286185933.db2.gz FIRRVWVBMNOGSS-KRWDZBQOSA-N 2 1 317.408 3.159 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000358924125 286188864 /nfs/dbraw/zinc/18/88/64/286188864.db2.gz DAAPPBFKIMDDIS-QGZVFWFLSA-N 2 1 314.420 3.220 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000358924125 286188865 /nfs/dbraw/zinc/18/88/65/286188865.db2.gz DAAPPBFKIMDDIS-QGZVFWFLSA-N 2 1 314.420 3.220 20 0 DGADMP CO[C@H]1CC[N@H+](CCCc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359069483 286229197 /nfs/dbraw/zinc/22/91/97/286229197.db2.gz XHRBQELBYXPFKJ-OALUTQOASA-N 2 1 312.457 3.211 20 0 DGADMP CO[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359069483 286229198 /nfs/dbraw/zinc/22/91/98/286229198.db2.gz XHRBQELBYXPFKJ-OALUTQOASA-N 2 1 312.457 3.211 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000359147203 286248127 /nfs/dbraw/zinc/24/81/27/286248127.db2.gz DTDYEEDPWVVBJF-QAPCUYQASA-N 2 1 317.477 3.340 20 0 DGADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1SC ZINC000359207244 286261175 /nfs/dbraw/zinc/26/11/75/286261175.db2.gz AORJNYJBAFWSMM-UHFFFAOYSA-N 2 1 308.491 3.239 20 0 DGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000359215873 286262779 /nfs/dbraw/zinc/26/27/79/286262779.db2.gz KJXAWVNGWKBKDE-INIZCTEOSA-N 2 1 317.477 3.115 20 0 DGADMP c1ccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000359377838 286295906 /nfs/dbraw/zinc/29/59/06/286295906.db2.gz ZAXANZXUKQTQNT-LJQANCHMSA-N 2 1 314.473 3.372 20 0 DGADMP COc1cc(C)c(C[N@H+](CCC[NH3+])Cc2ccccc2)c(C)n1 ZINC000359463212 286313570 /nfs/dbraw/zinc/31/35/70/286313570.db2.gz YYLCQEQWTOTGFB-UHFFFAOYSA-N 2 1 313.445 3.058 20 0 DGADMP COc1cc(C)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C)n1 ZINC000359463212 286313572 /nfs/dbraw/zinc/31/35/72/286313572.db2.gz YYLCQEQWTOTGFB-UHFFFAOYSA-N 2 1 313.445 3.058 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000414189176 286369420 /nfs/dbraw/zinc/36/94/20/286369420.db2.gz QQJWVSSFEUWXFK-HOTGVXAUSA-N 2 1 320.477 3.395 20 0 DGADMP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000359937722 286392505 /nfs/dbraw/zinc/39/25/05/286392505.db2.gz WXFJWVGPRQFCTH-QFBILLFUSA-N 2 1 304.478 3.433 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000360587186 286504630 /nfs/dbraw/zinc/50/46/30/286504630.db2.gz ASQYKQOPHOFSDF-MRXNPFEDSA-N 2 1 319.424 3.471 20 0 DGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709936 533677379 /nfs/dbraw/zinc/67/73/79/533677379.db2.gz ZXYAYFSJDFODBY-SWLSCSKDSA-N 2 1 312.379 3.325 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362918967 286876245 /nfs/dbraw/zinc/87/62/45/286876245.db2.gz QRQUSDWXBOWHRW-UHFFFAOYSA-N 2 1 300.381 3.382 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414083881 287022532 /nfs/dbraw/zinc/02/25/32/287022532.db2.gz XFRCRYYFDUOPEJ-HZPDHXFCSA-N 2 1 304.482 3.135 20 0 DGADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762822 165015611 /nfs/dbraw/zinc/01/56/11/165015611.db2.gz IYPVWCSBOIYVPB-ZFWWWQNUSA-N 2 1 307.507 3.237 20 0 DGADMP C[C@@H]1CSCC[NH+]1CCCCC[N@@H+]1CCSC[C@H]1C ZINC000247114607 297182444 /nfs/dbraw/zinc/18/24/44/297182444.db2.gz WCHWZWCEIHSMFP-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOCC(F)F)CC1 ZINC000189560760 165166041 /nfs/dbraw/zinc/16/60/41/165166041.db2.gz XLOUSCXECRKNTK-OAHLLOKOSA-N 2 1 318.452 3.245 20 0 DGADMP C[C@@H](OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192620247 165298438 /nfs/dbraw/zinc/29/84/38/165298438.db2.gz NIDZKQPGTJRKAV-BPIHKTFHSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193347967 165325390 /nfs/dbraw/zinc/32/53/90/165325390.db2.gz XXZJDIBSALBHLO-DZJYIKFMSA-N 2 1 314.473 3.339 20 0 DGADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000246195575 165507245 /nfs/dbraw/zinc/50/72/45/165507245.db2.gz XKFIKHHCYPFVDO-PMACEKPBSA-N 2 1 316.489 3.273 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182257147 432172178 /nfs/dbraw/zinc/17/21/78/432172178.db2.gz PGCNRZHVRNXMKU-UXPWSPDFSA-N 2 1 316.489 3.312 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246834521 432170334 /nfs/dbraw/zinc/17/03/34/432170334.db2.gz BUNNPTSHLJKLSM-LPHOPBHVSA-N 3 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000246834521 432170339 /nfs/dbraw/zinc/17/03/39/432170339.db2.gz BUNNPTSHLJKLSM-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246834521 432170342 /nfs/dbraw/zinc/17/03/42/432170342.db2.gz BUNNPTSHLJKLSM-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246834521 432170343 /nfs/dbraw/zinc/17/03/43/432170343.db2.gz BUNNPTSHLJKLSM-LPHOPBHVSA-N 2 1 303.494 3.101 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000182246991 432170650 /nfs/dbraw/zinc/17/06/50/432170650.db2.gz VTUYQNAWBBCKMY-CRAIPNDOSA-N 2 1 314.429 3.087 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000182246991 432170653 /nfs/dbraw/zinc/17/06/53/432170653.db2.gz VTUYQNAWBBCKMY-CRAIPNDOSA-N 2 1 314.429 3.087 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000182246991 432170658 /nfs/dbraw/zinc/17/06/58/432170658.db2.gz VTUYQNAWBBCKMY-CRAIPNDOSA-N 2 1 314.429 3.087 20 0 DGADMP Fc1ccccc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000137621501 432179423 /nfs/dbraw/zinc/17/94/23/432179423.db2.gz WFZUJBQXYMOKTO-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000137621501 432179427 /nfs/dbraw/zinc/17/94/27/432179427.db2.gz WFZUJBQXYMOKTO-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000137621501 432179430 /nfs/dbraw/zinc/17/94/30/432179430.db2.gz WFZUJBQXYMOKTO-APWZRJJASA-N 2 1 302.437 3.317 20 0 DGADMP CC(C)(C)n1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246839681 432172766 /nfs/dbraw/zinc/17/27/66/432172766.db2.gz RWEKJQYHVXGXDZ-WMZOPIPTSA-N 2 1 316.493 3.087 20 0 DGADMP Cc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000129684619 196067232 /nfs/dbraw/zinc/06/72/32/196067232.db2.gz CQDDRWMEGNQAAR-UHFFFAOYSA-N 2 1 302.466 3.186 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000247023530 432192379 /nfs/dbraw/zinc/19/23/79/432192379.db2.gz KYMUSESDJZQHPU-QWRGUYRKSA-N 2 1 321.412 3.024 20 0 DGADMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1C ZINC000247003941 432190645 /nfs/dbraw/zinc/19/06/45/432190645.db2.gz KVMIXUSOLMHQQP-FGTMMUONSA-N 2 1 303.494 3.140 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1nc2cc(Cl)ccc2n1C ZINC000269715856 432200515 /nfs/dbraw/zinc/20/05/15/432200515.db2.gz VYPAQOPSVKLROQ-DYEKYZERSA-N 2 1 320.868 3.045 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247163091 432206760 /nfs/dbraw/zinc/20/67/60/432206760.db2.gz SDAHWPMQDWYGSX-HOTGVXAUSA-N 2 1 312.498 3.208 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000247242311 432215712 /nfs/dbraw/zinc/21/57/12/432215712.db2.gz TUKTVSVDGAUESZ-KBXCAEBGSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000247242311 432215714 /nfs/dbraw/zinc/21/57/14/432215714.db2.gz TUKTVSVDGAUESZ-KBXCAEBGSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000247242311 432215717 /nfs/dbraw/zinc/21/57/17/432215717.db2.gz TUKTVSVDGAUESZ-KBXCAEBGSA-N 2 1 313.445 3.103 20 0 DGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000269733164 432204637 /nfs/dbraw/zinc/20/46/37/432204637.db2.gz VFPVXBFDVYHSKX-SFHVURJKSA-N 2 1 315.461 3.094 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000247134369 432206446 /nfs/dbraw/zinc/20/64/46/432206446.db2.gz RWDOUODMCWVOCP-PKOBYXMFSA-N 2 1 304.478 3.474 20 0 DGADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172578151 432221915 /nfs/dbraw/zinc/22/19/15/432221915.db2.gz BFWAJFUUOHSWLC-QGZVFWFLSA-N 2 1 310.482 3.060 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000269935034 432223653 /nfs/dbraw/zinc/22/36/53/432223653.db2.gz DZNWCSQTDVPNQL-MJGOQNOKSA-N 2 1 313.445 3.339 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423346296 287266583 /nfs/dbraw/zinc/26/65/83/287266583.db2.gz ZSFIDOQWXOSWQZ-AEFFLSMTSA-N 2 1 323.525 3.055 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422876005 287347697 /nfs/dbraw/zinc/34/76/97/287347697.db2.gz FSTUMSYRALMFRA-IYWMVGAKSA-N 3 1 321.553 3.399 20 0 DGADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291222769 222235513 /nfs/dbraw/zinc/23/55/13/222235513.db2.gz SKBDZUOQTJEOOO-PKOBYXMFSA-N 2 1 316.489 3.098 20 0 DGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000291452455 222398286 /nfs/dbraw/zinc/39/82/86/222398286.db2.gz MHEJNWNYQBVFFN-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559208 227301148 /nfs/dbraw/zinc/30/11/48/227301148.db2.gz FZRCTLMDQSKYOZ-ZIAGYGMSSA-N 2 1 304.463 3.034 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559208 227301153 /nfs/dbraw/zinc/30/11/53/227301153.db2.gz FZRCTLMDQSKYOZ-ZIAGYGMSSA-N 2 1 304.463 3.034 20 0 DGADMP Cc1[nH+]ccn1CCN1CCc2c(Br)cccc2C1 ZINC000346284925 264002629 /nfs/dbraw/zinc/00/26/29/264002629.db2.gz ZCLSPISHZFWKNE-UHFFFAOYSA-N 2 1 320.234 3.012 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000346326442 264011306 /nfs/dbraw/zinc/01/13/06/264011306.db2.gz HZSYDHNTYAVOCH-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000346326442 264011309 /nfs/dbraw/zinc/01/13/09/264011309.db2.gz HZSYDHNTYAVOCH-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000346326442 264011310 /nfs/dbraw/zinc/01/13/10/264011310.db2.gz HZSYDHNTYAVOCH-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000346326442 264011312 /nfs/dbraw/zinc/01/13/12/264011312.db2.gz HZSYDHNTYAVOCH-HNBVOPMISA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000346636912 264070443 /nfs/dbraw/zinc/07/04/43/264070443.db2.gz IEQGMHUGHNEBNH-RDJZCZTQSA-N 2 1 320.440 3.195 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1F)CC(C)(C)C[NH3+] ZINC000346662396 264075521 /nfs/dbraw/zinc/07/55/21/264075521.db2.gz BVMRHPNYRMXTQB-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)CC(C)(C)C[NH3+] ZINC000346662396 264075523 /nfs/dbraw/zinc/07/55/23/264075523.db2.gz BVMRHPNYRMXTQB-UHFFFAOYSA-N 2 1 301.409 3.304 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000346663743 264075753 /nfs/dbraw/zinc/07/57/53/264075753.db2.gz XAHWHSHITMFQQG-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346670707 264077579 /nfs/dbraw/zinc/07/75/79/264077579.db2.gz GUICSELLXBRQPG-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000346691809 264080154 /nfs/dbraw/zinc/08/01/54/264080154.db2.gz WLALWFCGXPFPCI-YRGRVCCFSA-N 2 1 311.267 3.222 20 0 DGADMP CCCOc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000346693076 264080176 /nfs/dbraw/zinc/08/01/76/264080176.db2.gz KRRCOASMEPYLMX-MRXNPFEDSA-N 2 1 308.466 3.289 20 0 DGADMP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(OC(F)F)c1 ZINC000346689705 264080856 /nfs/dbraw/zinc/08/08/56/264080856.db2.gz SLGNEGJICFIGNH-CQSZACIVSA-N 2 1 316.392 3.102 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(OC(F)F)c1 ZINC000346689705 264080857 /nfs/dbraw/zinc/08/08/57/264080857.db2.gz SLGNEGJICFIGNH-CQSZACIVSA-N 2 1 316.392 3.102 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1 ZINC000346797563 264099060 /nfs/dbraw/zinc/09/90/60/264099060.db2.gz OETJNSUSRYSTHU-YZVOILCLSA-N 2 1 312.461 3.314 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]12 ZINC000346814336 264102672 /nfs/dbraw/zinc/10/26/72/264102672.db2.gz ASWMBOFKZRMUAV-KFKAGJAMSA-N 2 1 300.446 3.177 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC000346832524 264105771 /nfs/dbraw/zinc/10/57/71/264105771.db2.gz QWSPGDMYRVCNEN-CEXWTWQISA-N 2 1 307.441 3.308 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]12 ZINC000346848353 264108037 /nfs/dbraw/zinc/10/80/37/264108037.db2.gz QECPFKZMWCHSBH-JKIFEVAISA-N 2 1 319.880 3.109 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC000346844838 264108338 /nfs/dbraw/zinc/10/83/38/264108338.db2.gz LQDGWIMCESETCG-XUVXKRRUSA-N 2 1 307.441 3.308 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346845352 264108559 /nfs/dbraw/zinc/10/85/59/264108559.db2.gz NBEKHNFCCVYJIC-YESZJQIVSA-N 2 1 318.461 3.043 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@@H]21 ZINC000346850018 264109337 /nfs/dbraw/zinc/10/93/37/264109337.db2.gz HPOUHUXWRLEKLE-KWCYVHTRSA-N 2 1 319.499 3.431 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1[NH3+] ZINC000347004354 264138176 /nfs/dbraw/zinc/13/81/76/264138176.db2.gz AZNRNCDQHXUFEN-CRAIPNDOSA-N 2 1 320.440 3.195 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc(Br)c1 ZINC000347014344 264139747 /nfs/dbraw/zinc/13/97/47/264139747.db2.gz WZEWGYVMTKQFDF-LALPHHSUSA-N 2 1 311.267 3.222 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc(Br)c1 ZINC000347014344 264139748 /nfs/dbraw/zinc/13/97/48/264139748.db2.gz WZEWGYVMTKQFDF-LALPHHSUSA-N 2 1 311.267 3.222 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000347035371 264145514 /nfs/dbraw/zinc/14/55/14/264145514.db2.gz GOLDJNURTQHPKQ-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000347035371 264145517 /nfs/dbraw/zinc/14/55/17/264145517.db2.gz GOLDJNURTQHPKQ-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347039537 264146071 /nfs/dbraw/zinc/14/60/71/264146071.db2.gz JOUAVJWTRKVEJE-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347039537 264146073 /nfs/dbraw/zinc/14/60/73/264146073.db2.gz JOUAVJWTRKVEJE-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000347101500 264156412 /nfs/dbraw/zinc/15/64/12/264156412.db2.gz KLNCBTORWRAFKZ-NSHDSACASA-N 2 1 307.488 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151370 264165550 /nfs/dbraw/zinc/16/55/50/264165550.db2.gz ATZRHJZSSFMBPZ-VXGBXAGGSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347151370 264165554 /nfs/dbraw/zinc/16/55/54/264165554.db2.gz ATZRHJZSSFMBPZ-VXGBXAGGSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187950 264171997 /nfs/dbraw/zinc/17/19/97/264171997.db2.gz CTNCRJNLDOOLEG-IEBWSBKVSA-N 2 1 317.521 3.204 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000347237575 264181788 /nfs/dbraw/zinc/18/17/88/264181788.db2.gz RNKLMUXNNKLJHY-GOSISDBHSA-N 2 1 317.477 3.341 20 0 DGADMP COC1CC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000347246644 264182652 /nfs/dbraw/zinc/18/26/52/264182652.db2.gz WZPZKXUWEXXXNT-VNCLNFNDSA-N 2 1 302.462 3.328 20 0 DGADMP CCN(CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)CC(F)(F)F ZINC000347300564 264192485 /nfs/dbraw/zinc/19/24/85/264192485.db2.gz NCZSKDDTYIMPMM-OAHLLOKOSA-N 2 1 323.447 3.067 20 0 DGADMP CCN(CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C)CC(F)(F)F ZINC000347300564 264192486 /nfs/dbraw/zinc/19/24/86/264192486.db2.gz NCZSKDDTYIMPMM-OAHLLOKOSA-N 2 1 323.447 3.067 20 0 DGADMP CCN(CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C)CC(F)(F)F ZINC000347300564 264192488 /nfs/dbraw/zinc/19/24/88/264192488.db2.gz NCZSKDDTYIMPMM-OAHLLOKOSA-N 2 1 323.447 3.067 20 0 DGADMP CO[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347365120 264206974 /nfs/dbraw/zinc/20/69/74/264206974.db2.gz SUZCDSLPYTZSOF-BPIHKTFHSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000347559550 264241602 /nfs/dbraw/zinc/24/16/02/264241602.db2.gz DSEQITYDCUODMY-OALUTQOASA-N 2 1 315.505 3.067 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)c2C1 ZINC000347628454 264255046 /nfs/dbraw/zinc/25/50/46/264255046.db2.gz XVURGEYHLMJXDQ-UHFFFAOYSA-N 2 1 321.424 3.268 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)c2C1 ZINC000347628454 264255047 /nfs/dbraw/zinc/25/50/47/264255047.db2.gz XVURGEYHLMJXDQ-UHFFFAOYSA-N 2 1 321.424 3.268 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000347925867 264307670 /nfs/dbraw/zinc/30/76/70/264307670.db2.gz SJLNDEMGEJKUOC-SFHVURJKSA-N 2 1 304.503 3.483 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928989 264308052 /nfs/dbraw/zinc/30/80/52/264308052.db2.gz JOGDFIAUNLLDEO-ZFWWWQNUSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928989 264308053 /nfs/dbraw/zinc/30/80/53/264308053.db2.gz JOGDFIAUNLLDEO-ZFWWWQNUSA-N 2 1 305.466 3.288 20 0 DGADMP C[C@H](NCc1ccc(F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071338 264333958 /nfs/dbraw/zinc/33/39/58/264333958.db2.gz DPIPYFCZNHPFIA-RDJZCZTQSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348071338 264333960 /nfs/dbraw/zinc/33/39/60/264333960.db2.gz DPIPYFCZNHPFIA-RDJZCZTQSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348071338 264333963 /nfs/dbraw/zinc/33/39/63/264333963.db2.gz DPIPYFCZNHPFIA-RDJZCZTQSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]1CCSCC[NH+]1C/C=C/C[N@@H+]1CCSCC[C@@H]1C ZINC000348159897 264354674 /nfs/dbraw/zinc/35/46/74/264354674.db2.gz OFELARRVOBTRRX-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CCSCC[N@H+]1C/C=C/C[NH+]1CCSCC[C@@H]1C ZINC000348159897 264354675 /nfs/dbraw/zinc/35/46/75/264354675.db2.gz OFELARRVOBTRRX-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP C[C@@H]1CCSCC[N@@H+]1C/C=C/C[NH+]1CCSCC[C@@H]1C ZINC000348159897 264354678 /nfs/dbraw/zinc/35/46/78/264354678.db2.gz OFELARRVOBTRRX-ZOSBBBERSA-N 2 1 314.564 3.197 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000348184081 264359582 /nfs/dbraw/zinc/35/95/82/264359582.db2.gz FMCGYOSIBXYKAS-YOEHRIQHSA-N 2 1 321.428 3.043 20 0 DGADMP c1ccc([C@H]2C[C@H]2C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000348242107 264372260 /nfs/dbraw/zinc/37/22/60/264372260.db2.gz KDIOUCLDYMMAQG-RBUKOAKNSA-N 2 1 314.473 3.025 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000352429390 265046593 /nfs/dbraw/zinc/04/65/93/265046593.db2.gz BBOMVTWTGQZVKY-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000352429390 265046597 /nfs/dbraw/zinc/04/65/97/265046597.db2.gz BBOMVTWTGQZVKY-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000352429390 265046598 /nfs/dbraw/zinc/04/65/98/265046598.db2.gz BBOMVTWTGQZVKY-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000352429390 265046600 /nfs/dbraw/zinc/04/66/00/265046600.db2.gz BBOMVTWTGQZVKY-WOJBJXKFSA-N 2 1 321.468 3.344 20 0 DGADMP CCc1ccccc1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352511918 265074560 /nfs/dbraw/zinc/07/45/60/265074560.db2.gz ULNZIUYLVDTUTF-UHFFFAOYSA-N 2 1 317.477 3.029 20 0 DGADMP CCc1ccccc1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352511918 265074562 /nfs/dbraw/zinc/07/45/62/265074562.db2.gz ULNZIUYLVDTUTF-UHFFFAOYSA-N 2 1 317.477 3.029 20 0 DGADMP CCCOc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC ZINC000352534200 265081987 /nfs/dbraw/zinc/08/19/87/265081987.db2.gz DTATZDLTPOBQQS-MRXNPFEDSA-N 2 1 306.450 3.187 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccoc2)CC1 ZINC000352653092 265118358 /nfs/dbraw/zinc/11/83/58/265118358.db2.gz UPQZJCMSLLHOSR-UHFFFAOYSA-N 2 1 313.445 3.054 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccoc2)CC1 ZINC000352653092 265118360 /nfs/dbraw/zinc/11/83/60/265118360.db2.gz UPQZJCMSLLHOSR-UHFFFAOYSA-N 2 1 313.445 3.054 20 0 DGADMP CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777792 265162459 /nfs/dbraw/zinc/16/24/59/265162459.db2.gz USUKNJPEEBLOSN-KBPBESRZSA-N 2 1 313.536 3.359 20 0 DGADMP COc1cccc([C@H](C)NCc2ncc(C[NH+](C)C)s2)c1 ZINC000352816862 265179465 /nfs/dbraw/zinc/17/94/65/265179465.db2.gz MONDPWBLEYMRMO-LBPRGKRZSA-N 2 1 305.447 3.064 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000352822826 265183592 /nfs/dbraw/zinc/18/35/92/265183592.db2.gz HIBKEMMTWYNCNF-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000352822826 265183599 /nfs/dbraw/zinc/18/35/99/265183599.db2.gz HIBKEMMTWYNCNF-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352828131 265185948 /nfs/dbraw/zinc/18/59/48/265185948.db2.gz UFFHRQUVVJTLRY-AWEZNQCLSA-N 2 1 303.475 3.488 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000355219244 266004136 /nfs/dbraw/zinc/00/41/36/266004136.db2.gz LQKXQVVAKNNPIE-OAQYLSRUSA-N 2 1 323.484 3.434 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000355340668 266044556 /nfs/dbraw/zinc/04/45/56/266044556.db2.gz WHJHSFIPSMZXFG-APWZRJJASA-N 2 1 320.452 3.162 20 0 DGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)s1 ZINC000151378115 432242120 /nfs/dbraw/zinc/24/21/20/432242120.db2.gz ZRMAASWXXHMZLH-CYBMUJFWSA-N 2 1 316.898 3.289 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000359867684 271003713 /nfs/dbraw/zinc/00/37/13/271003713.db2.gz CYZCVNNFUWJIGW-UHFFFAOYSA-N 3 1 320.525 3.416 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000359900160 271013760 /nfs/dbraw/zinc/01/37/60/271013760.db2.gz OJEIMRLZKJGKRJ-LJQANCHMSA-N 2 1 312.457 3.241 20 0 DGADMP C[N@H+](CCOC(c1ccccc1)c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000359903950 271015108 /nfs/dbraw/zinc/01/51/08/271015108.db2.gz SPMGOHMFJJCFJZ-FQEVSTJZSA-N 2 1 324.468 3.462 20 0 DGADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000359903950 271015112 /nfs/dbraw/zinc/01/51/12/271015112.db2.gz SPMGOHMFJJCFJZ-FQEVSTJZSA-N 2 1 324.468 3.462 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601714 271048602 /nfs/dbraw/zinc/04/86/02/271048602.db2.gz PAQOFHVWLRSBQP-NVXWUHKLSA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601714 271048603 /nfs/dbraw/zinc/04/86/03/271048603.db2.gz PAQOFHVWLRSBQP-NVXWUHKLSA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601714 271048605 /nfs/dbraw/zinc/04/86/05/271048605.db2.gz PAQOFHVWLRSBQP-NVXWUHKLSA-N 2 1 304.482 3.353 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000367711266 271068752 /nfs/dbraw/zinc/06/87/52/271068752.db2.gz BBWFQRNNOUDSNV-RDTXWAMCSA-N 2 1 322.493 3.174 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000368137456 271142445 /nfs/dbraw/zinc/14/24/45/271142445.db2.gz ACTXSCCJWPAJJK-GUYCJALGSA-N 2 1 308.491 3.214 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000368566466 271172350 /nfs/dbraw/zinc/17/23/50/271172350.db2.gz ISVSNIJPZQHKPT-UHFFFAOYSA-N 2 1 305.372 3.396 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000368948758 271225235 /nfs/dbraw/zinc/22/52/35/271225235.db2.gz DQXUCEIAIPEPDT-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000368948758 271225237 /nfs/dbraw/zinc/22/52/37/271225237.db2.gz DQXUCEIAIPEPDT-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000369649098 271305107 /nfs/dbraw/zinc/30/51/07/271305107.db2.gz POGLWNWLSQCUCQ-SOAMZJECSA-N 2 1 315.505 3.221 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000247881029 432252298 /nfs/dbraw/zinc/25/22/98/432252298.db2.gz BQVRWNJNIGSCIN-IHPCNDPISA-N 2 1 317.521 3.389 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](CC)C[C@H]2C)[NH+](C)C)cc1 ZINC000247946271 432254327 /nfs/dbraw/zinc/25/43/27/432254327.db2.gz HNOQRKSOQYFQRH-AHRSYUTCSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000247946271 432254331 /nfs/dbraw/zinc/25/43/31/432254331.db2.gz HNOQRKSOQYFQRH-AHRSYUTCSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000247946271 432254336 /nfs/dbraw/zinc/25/43/36/432254336.db2.gz HNOQRKSOQYFQRH-AHRSYUTCSA-N 2 1 317.521 3.172 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC000495259394 274153226 /nfs/dbraw/zinc/15/32/26/274153226.db2.gz LXMXZDKISYPSJY-PKOBYXMFSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422737845 274156376 /nfs/dbraw/zinc/15/63/76/274156376.db2.gz HTMBHYZYWSKWNK-NVXWUHKLSA-N 2 1 302.462 3.237 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125617290 274340477 /nfs/dbraw/zinc/34/04/77/274340477.db2.gz NNGSEMDVHRKLCT-FXRXJOCMSA-N 2 1 319.468 3.113 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000191389887 432259423 /nfs/dbraw/zinc/25/94/23/432259423.db2.gz XRDAEBXTEGEXKW-LJQANCHMSA-N 2 1 314.473 3.393 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000191389887 432259425 /nfs/dbraw/zinc/25/94/25/432259425.db2.gz XRDAEBXTEGEXKW-LJQANCHMSA-N 2 1 314.473 3.393 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000247976847 432259512 /nfs/dbraw/zinc/25/95/12/432259512.db2.gz LGHUXJFLLLELAY-QFBILLFUSA-N 2 1 322.468 3.095 20 0 DGADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423061906 274915090 /nfs/dbraw/zinc/91/50/90/274915090.db2.gz RWSWRZLLSOBADG-SJWGOKEGSA-N 2 1 304.409 3.160 20 0 DGADMP N[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000422999664 274959899 /nfs/dbraw/zinc/95/98/99/274959899.db2.gz YDDBOJQVMBHQLO-WOJBJXKFSA-N 2 1 322.456 3.032 20 0 DGADMP Brc1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415081342 275369056 /nfs/dbraw/zinc/36/90/56/275369056.db2.gz MSBYWXGHKGNHMC-OAHLLOKOSA-N 2 1 323.278 3.212 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459534621 276096227 /nfs/dbraw/zinc/09/62/27/276096227.db2.gz WRNQMRMUEWVNJB-UHFFFAOYSA-N 2 1 316.489 3.282 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269972098 276110735 /nfs/dbraw/zinc/11/07/35/276110735.db2.gz OQLZCIRWCRFZSL-UXHICEINSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269972098 276110736 /nfs/dbraw/zinc/11/07/36/276110736.db2.gz OQLZCIRWCRFZSL-UXHICEINSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269972098 276110737 /nfs/dbraw/zinc/11/07/37/276110737.db2.gz OQLZCIRWCRFZSL-UXHICEINSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249310506 276110883 /nfs/dbraw/zinc/11/08/83/276110883.db2.gz LKYSXIDKZMTQDI-FUHIMQAGSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249310506 276110884 /nfs/dbraw/zinc/11/08/84/276110884.db2.gz LKYSXIDKZMTQDI-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249310506 276110885 /nfs/dbraw/zinc/11/08/85/276110885.db2.gz LKYSXIDKZMTQDI-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000249310506 276110886 /nfs/dbraw/zinc/11/08/86/276110886.db2.gz LKYSXIDKZMTQDI-FUHIMQAGSA-N 2 1 317.521 3.347 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000422730978 276199438 /nfs/dbraw/zinc/19/94/38/276199438.db2.gz GAFLBBUBOPMQHF-SLFFLAALSA-N 2 1 315.505 3.177 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C12CCCC2 ZINC000422809091 276355520 /nfs/dbraw/zinc/35/55/20/276355520.db2.gz RHQFBSMJLIISRA-XLAORIBOSA-N 2 1 300.446 3.459 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CCOCC1 ZINC000123246531 276772002 /nfs/dbraw/zinc/77/20/02/276772002.db2.gz IBFGUPXLUISLGE-ROUUACIJSA-N 2 1 316.489 3.269 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000151948289 277031668 /nfs/dbraw/zinc/03/16/68/277031668.db2.gz YIJJFYOOMQGUGZ-HNNXBMFYSA-N 2 1 309.251 3.120 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000268665926 277046334 /nfs/dbraw/zinc/04/63/34/277046334.db2.gz SLOPOZZTJZUIJP-SFHVURJKSA-N 2 1 302.462 3.446 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178779094 277051454 /nfs/dbraw/zinc/05/14/54/277051454.db2.gz IPLGMABXHGOORE-IBGZPJMESA-N 2 1 315.505 3.026 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000247084460 277051582 /nfs/dbraw/zinc/05/15/82/277051582.db2.gz RCRPPSZBDXSXAV-FQEVSTJZSA-N 2 1 315.505 3.071 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000353432890 277171690 /nfs/dbraw/zinc/17/16/90/277171690.db2.gz DETHVWIFVFWXTH-CQSZACIVSA-N 2 1 324.490 3.307 20 0 DGADMP CCc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019063 430199778 /nfs/dbraw/zinc/19/97/78/430199778.db2.gz FFDBYDDLUFSIRI-HIFRSBDPSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019063 430199786 /nfs/dbraw/zinc/19/97/86/430199786.db2.gz FFDBYDDLUFSIRI-HIFRSBDPSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019063 430199788 /nfs/dbraw/zinc/19/97/88/430199788.db2.gz FFDBYDDLUFSIRI-HIFRSBDPSA-N 2 1 302.466 3.412 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343103846 277514685 /nfs/dbraw/zinc/51/46/85/277514685.db2.gz JYNYFPHECZORLM-QGZVFWFLSA-N 2 1 308.853 3.028 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153220679 277514690 /nfs/dbraw/zinc/51/46/90/277514690.db2.gz MHUPGWDZKSOAIL-MAUKXSAKSA-N 2 1 302.462 3.244 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OCC(C)C ZINC000415056673 533690557 /nfs/dbraw/zinc/69/05/57/533690557.db2.gz QDVRTZPHOAGVNT-KRWDZBQOSA-N 2 1 308.466 3.193 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480715512 278050830 /nfs/dbraw/zinc/05/08/30/278050830.db2.gz PCYPOKCWYVKGPR-IAGOWNOFSA-N 2 1 304.478 3.480 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422842302 278274583 /nfs/dbraw/zinc/27/45/83/278274583.db2.gz XZEHTZMUQNIECC-XYJFISCASA-N 2 1 324.472 3.198 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261564706 278305816 /nfs/dbraw/zinc/30/58/16/278305816.db2.gz HKBQNYJRFUQZJW-UEEZHKSASA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261564706 278305817 /nfs/dbraw/zinc/30/58/17/278305817.db2.gz HKBQNYJRFUQZJW-UEEZHKSASA-N 2 1 309.251 3.179 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417317669 278343689 /nfs/dbraw/zinc/34/36/89/278343689.db2.gz XEKWNVSNTAWWOV-WCXIOVBPSA-N 2 1 322.518 3.067 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000092561871 278371475 /nfs/dbraw/zinc/37/14/75/278371475.db2.gz JVLHEDMPRXPGOF-SJJHQCBESA-N 2 1 322.493 3.103 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000414814992 278515335 /nfs/dbraw/zinc/51/53/35/278515335.db2.gz ZRVJQSDFVIDHGD-NEPXVJNWSA-N 3 1 307.526 3.137 20 0 DGADMP CC(C)(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423493896 278533943 /nfs/dbraw/zinc/53/39/43/278533943.db2.gz RGVXFFHUTRIHNO-CRAIPNDOSA-N 2 1 316.445 3.488 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000157528623 288101991 /nfs/dbraw/zinc/10/19/91/288101991.db2.gz XJZYNRBNBDUUOR-JTDSTZFVSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528623 288101993 /nfs/dbraw/zinc/10/19/93/288101993.db2.gz XJZYNRBNBDUUOR-JTDSTZFVSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157528623 288101994 /nfs/dbraw/zinc/10/19/94/288101994.db2.gz XJZYNRBNBDUUOR-JTDSTZFVSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427714925 279258635 /nfs/dbraw/zinc/25/86/35/279258635.db2.gz NVWYAOMWWKKCRQ-ABAIWWIYSA-N 2 1 315.383 3.408 20 0 DGADMP C[C@H](CCc1ccccc1)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432349885 279273915 /nfs/dbraw/zinc/27/39/15/279273915.db2.gz YIKIBLSAKGRQNC-RTBURBONSA-N 2 1 318.505 3.346 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414771317 279320510 /nfs/dbraw/zinc/32/05/10/279320510.db2.gz PIJKHXAYGBKELU-YUELXQCFSA-N 2 1 312.379 3.350 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111695450 431231864 /nfs/dbraw/zinc/23/18/64/431231864.db2.gz LFULCMSYOYZZGK-AAEUAGOBSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1OCCc2sccc21 ZINC000423130123 279525602 /nfs/dbraw/zinc/52/56/02/279525602.db2.gz MKFIRLCIVSTSDD-PLDPNSPWSA-N 2 1 314.454 3.485 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861018 431355535 /nfs/dbraw/zinc/35/55/35/431355535.db2.gz XJRLKRSTCZDFRQ-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861018 431355541 /nfs/dbraw/zinc/35/55/41/431355541.db2.gz XJRLKRSTCZDFRQ-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861018 431355548 /nfs/dbraw/zinc/35/55/48/431355548.db2.gz XJRLKRSTCZDFRQ-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000072861018 431355555 /nfs/dbraw/zinc/35/55/55/431355555.db2.gz XJRLKRSTCZDFRQ-CQSZACIVSA-N 2 1 301.409 3.148 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836400 431501388 /nfs/dbraw/zinc/50/13/88/431501388.db2.gz PXRPKCPWIZFUMI-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860061 431502705 /nfs/dbraw/zinc/50/27/05/431502705.db2.gz FUJZEBFBIOTPPR-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860061 431502709 /nfs/dbraw/zinc/50/27/09/431502709.db2.gz FUJZEBFBIOTPPR-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860061 431502713 /nfs/dbraw/zinc/50/27/13/431502713.db2.gz FUJZEBFBIOTPPR-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(-n2cccn2)cc1 ZINC000075860061 431502718 /nfs/dbraw/zinc/50/27/18/431502718.db2.gz FUJZEBFBIOTPPR-GOSISDBHSA-N 2 1 312.461 3.179 20 0 DGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)OCCO2 ZINC000423182217 280185522 /nfs/dbraw/zinc/18/55/22/280185522.db2.gz QDNVDIPPDCINDU-OAHLLOKOSA-N 2 1 304.434 3.160 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423325620 280188761 /nfs/dbraw/zinc/18/87/61/280188761.db2.gz QIUXMFKESHUMTC-ZIAGYGMSSA-N 2 1 315.230 3.366 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](CCC1CC[NH2+]CC1)CC(=O)OC ZINC000420366585 280217971 /nfs/dbraw/zinc/21/79/71/280217971.db2.gz GFEVCUODJJKGBA-SFHVURJKSA-N 2 1 318.461 3.002 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000246196979 280325216 /nfs/dbraw/zinc/32/52/16/280325216.db2.gz XNLMGZQKGAUBNK-OALUTQOASA-N 2 1 304.478 3.210 20 0 DGADMP C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@H]1CCC[NH+](C)C1 ZINC000118841196 431621521 /nfs/dbraw/zinc/62/15/21/431621521.db2.gz QTZSPGJIQNPEIV-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[N@H+](Cc1cc(F)cc2cccnc21)C[C@H]1CCC[NH+](C)C1 ZINC000118841196 431621524 /nfs/dbraw/zinc/62/15/24/431621524.db2.gz QTZSPGJIQNPEIV-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cc(F)cc2cccnc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118841196 431621528 /nfs/dbraw/zinc/62/15/28/431621528.db2.gz QTZSPGJIQNPEIV-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cc(F)cc2cccnc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841196 431621531 /nfs/dbraw/zinc/62/15/31/431621531.db2.gz QTZSPGJIQNPEIV-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000119351983 431681133 /nfs/dbraw/zinc/68/11/33/431681133.db2.gz RPCXYMMLEHWLAK-MRXNPFEDSA-N 2 1 324.428 3.128 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183200 431750143 /nfs/dbraw/zinc/75/01/43/431750143.db2.gz HYOXQDVLBRLHCR-GJZGRUSLSA-N 2 1 322.449 3.099 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)o1 ZINC000447581032 280649499 /nfs/dbraw/zinc/64/94/99/280649499.db2.gz RVSSDSWATWWXJC-GDIGMMSISA-N 2 1 320.477 3.315 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568287 431794942 /nfs/dbraw/zinc/79/49/42/431794942.db2.gz HLRBIAGXGXMQID-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568287 431794948 /nfs/dbraw/zinc/79/49/48/431794948.db2.gz HLRBIAGXGXMQID-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568287 431794955 /nfs/dbraw/zinc/79/49/55/431794955.db2.gz HLRBIAGXGXMQID-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568287 431794959 /nfs/dbraw/zinc/79/49/59/431794959.db2.gz HLRBIAGXGXMQID-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121404860 431781663 /nfs/dbraw/zinc/78/16/63/431781663.db2.gz RRNIJYCHWAGKOA-TWMKSMIVSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121404860 431781669 /nfs/dbraw/zinc/78/16/69/431781669.db2.gz RRNIJYCHWAGKOA-TWMKSMIVSA-N 2 1 306.494 3.044 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000044513547 431874023 /nfs/dbraw/zinc/87/40/23/431874023.db2.gz RNFDRGHAGNATND-UHFFFAOYSA-N 2 1 304.768 3.112 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)nc2)CC1 ZINC000085797270 431841708 /nfs/dbraw/zinc/84/17/08/431841708.db2.gz HONVPASXEUCNHJ-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1cncc(F)c1 ZINC000122799522 431844551 /nfs/dbraw/zinc/84/45/51/431844551.db2.gz LJEZBNNAUYQWKJ-OAHLLOKOSA-N 2 1 313.420 3.320 20 0 DGADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123774235 431873689 /nfs/dbraw/zinc/87/36/89/431873689.db2.gz ARXYPWZZBUGCIM-RTBURBONSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000124988725 431910091 /nfs/dbraw/zinc/91/00/91/431910091.db2.gz SUTFCEIECJOIKY-HOJAQTOUSA-N 2 1 315.505 3.204 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000125226385 431918935 /nfs/dbraw/zinc/91/89/35/431918935.db2.gz XXZWERHLHWKENM-IEBWSBKVSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000125226385 431918937 /nfs/dbraw/zinc/91/89/37/431918937.db2.gz XXZWERHLHWKENM-IEBWSBKVSA-N 2 1 301.478 3.374 20 0 DGADMP CN(C)c1cccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000125226385 431918939 /nfs/dbraw/zinc/91/89/39/431918939.db2.gz XXZWERHLHWKENM-IEBWSBKVSA-N 2 1 301.478 3.374 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093981470 431919065 /nfs/dbraw/zinc/91/90/65/431919065.db2.gz XXDYLICGHCZLSP-UHFFFAOYSA-N 2 1 317.246 3.266 20 0 DGADMP Cc1ccc(OC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000124095862 431882544 /nfs/dbraw/zinc/88/25/44/431882544.db2.gz GASMPBRBAWIRHB-KRWDZBQOSA-N 2 1 302.462 3.323 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@H]3CCC[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000124286865 431888518 /nfs/dbraw/zinc/88/85/18/431888518.db2.gz CLVXBWAEEJVOGI-YOEHRIQHSA-N 2 1 316.493 3.478 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218659 431889825 /nfs/dbraw/zinc/88/98/25/431889825.db2.gz FIMNHUWMZJKFEC-YQVWRLOYSA-N 2 1 304.478 3.472 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000090806116 431895718 /nfs/dbraw/zinc/89/57/18/431895718.db2.gz GVRPLOVXHNKBDC-PBHICJAKSA-N 2 1 310.869 3.177 20 0 DGADMP COCC[C@H](C)[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000124724624 431902713 /nfs/dbraw/zinc/90/27/13/431902713.db2.gz CVJCHTWJSPHOLZ-CKIDTQIGSA-N 2 1 304.478 3.158 20 0 DGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000098143781 431979608 /nfs/dbraw/zinc/97/96/08/431979608.db2.gz GHSIKJMNWVJSJE-ROUUACIJSA-N 2 1 304.478 3.047 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125498350 431927772 /nfs/dbraw/zinc/92/77/72/431927772.db2.gz ZDSIBZQVEXRAHK-IAGOWNOFSA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125498350 431927774 /nfs/dbraw/zinc/92/77/74/431927774.db2.gz ZDSIBZQVEXRAHK-IAGOWNOFSA-N 2 1 305.466 3.251 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2cccn2)cc1 ZINC000127064544 431964208 /nfs/dbraw/zinc/96/42/08/431964208.db2.gz PQXBTBHBFNWDAY-OAHLLOKOSA-N 2 1 309.417 3.118 20 0 DGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000128261768 431990274 /nfs/dbraw/zinc/99/02/74/431990274.db2.gz BSLAXLZMECHOMG-IBGZPJMESA-N 2 1 303.494 3.063 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000128288072 431991676 /nfs/dbraw/zinc/99/16/76/431991676.db2.gz UOWNCANSYXZFTP-CYBMUJFWSA-N 2 1 315.914 3.080 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000270672759 432272661 /nfs/dbraw/zinc/27/26/61/432272661.db2.gz SLYDSWIERPXZRL-HNNXBMFYSA-N 2 1 301.434 3.153 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270672759 432272666 /nfs/dbraw/zinc/27/26/66/432272666.db2.gz SLYDSWIERPXZRL-HNNXBMFYSA-N 2 1 301.434 3.153 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCS2 ZINC000191513149 432272741 /nfs/dbraw/zinc/27/27/41/432272741.db2.gz FCEODFJRYMHVOU-CZUORRHYSA-N 2 1 306.475 3.164 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000248199630 432275369 /nfs/dbraw/zinc/27/53/69/432275369.db2.gz YFMPYWCFIRVPQG-SZMVWBNQSA-N 2 1 319.468 3.175 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000248199630 432275371 /nfs/dbraw/zinc/27/53/71/432275371.db2.gz YFMPYWCFIRVPQG-SZMVWBNQSA-N 2 1 319.468 3.175 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000191795408 432303441 /nfs/dbraw/zinc/30/34/41/432303441.db2.gz PWSGRIVZVBGGCM-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1(C)CC1 ZINC000151902406 432285989 /nfs/dbraw/zinc/28/59/89/432285989.db2.gz RGMMNHCWZLWNJY-PKOBYXMFSA-N 2 1 315.505 3.143 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000248403044 432286244 /nfs/dbraw/zinc/28/62/44/432286244.db2.gz OAVDYFDGAFKHSG-NMLBUPMWSA-N 2 1 314.473 3.056 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408524 432286995 /nfs/dbraw/zinc/28/69/95/432286995.db2.gz VOASQTQUCBZVJG-DZKIICNBSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408524 432286999 /nfs/dbraw/zinc/28/69/99/432286999.db2.gz VOASQTQUCBZVJG-DZKIICNBSA-N 2 1 304.482 3.032 20 0 DGADMP CSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248420641 432288670 /nfs/dbraw/zinc/28/86/70/432288670.db2.gz XHOYDKHOCILWIR-DZOHQFGASA-N 2 1 304.503 3.238 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000151906689 432288963 /nfs/dbraw/zinc/28/89/63/432288963.db2.gz ZQXYOIUQCJRAKK-CYBMUJFWSA-N 2 1 320.868 3.436 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccsc1 ZINC000248436743 432290760 /nfs/dbraw/zinc/29/07/60/432290760.db2.gz GOQROCGQOQONPB-RDTXWAMCSA-N 2 1 316.470 3.166 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000248442234 432291237 /nfs/dbraw/zinc/29/12/37/432291237.db2.gz KSEXUVAJAJNPHK-MAUKXSAKSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000248442234 432291243 /nfs/dbraw/zinc/29/12/43/432291243.db2.gz KSEXUVAJAJNPHK-MAUKXSAKSA-N 2 1 314.429 3.005 20 0 DGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000270857677 432297631 /nfs/dbraw/zinc/29/76/31/432297631.db2.gz JIAFHLAFCTWYGC-HNNXBMFYSA-N 2 1 301.434 3.153 20 0 DGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000270857677 432297637 /nfs/dbraw/zinc/29/76/37/432297637.db2.gz JIAFHLAFCTWYGC-HNNXBMFYSA-N 2 1 301.434 3.153 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CCn1ccnc1)c1ccccc1 ZINC000270881647 432298408 /nfs/dbraw/zinc/29/84/08/432298408.db2.gz NNVVPQKWQPCZAO-RBUKOAKNSA-N 2 1 313.445 3.251 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248009983 432262408 /nfs/dbraw/zinc/26/24/08/432262408.db2.gz LEEABUZFPBNTOC-GJZGRUSLSA-N 2 1 310.507 3.198 20 0 DGADMP CCN(CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000248042458 432264125 /nfs/dbraw/zinc/26/41/25/432264125.db2.gz UCXLKFZNFSIAIL-HKUYNNGSSA-N 2 1 303.494 3.223 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC000248061115 432265224 /nfs/dbraw/zinc/26/52/24/432265224.db2.gz YKVNOXZFHMTTEG-AZUAARDMSA-N 2 1 318.505 3.346 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(CCCCC4)O3)CC[C@@H]21 ZINC000248878410 432324621 /nfs/dbraw/zinc/32/46/21/432324621.db2.gz WIBTWGSZDJGFOE-KURKYZTESA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)CC[C@@H]21 ZINC000248878410 432324623 /nfs/dbraw/zinc/32/46/23/432324623.db2.gz WIBTWGSZDJGFOE-KURKYZTESA-N 2 1 306.494 3.284 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CC[C@@H]21 ZINC000248878410 432324626 /nfs/dbraw/zinc/32/46/26/432324626.db2.gz WIBTWGSZDJGFOE-KURKYZTESA-N 2 1 306.494 3.284 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152364034 432326799 /nfs/dbraw/zinc/32/67/99/432326799.db2.gz RXDPIGKWOSJVOZ-BLLLJJGKSA-N 2 1 306.450 3.437 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192043808 432328116 /nfs/dbraw/zinc/32/81/16/432328116.db2.gz RWLFVVFZGIDDDQ-IRXDYDNUSA-N 2 1 310.869 3.492 20 0 DGADMP CN(Cc1cc(-c2cccs2)on1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152377468 432328937 /nfs/dbraw/zinc/32/89/37/432328937.db2.gz WQNVSSHMUHTVEC-ZDUSSCGKSA-N 2 1 305.447 3.177 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000248990781 432332727 /nfs/dbraw/zinc/33/27/27/432332727.db2.gz NFZZKCZUEGEYIQ-RBUKOAKNSA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000248990781 432332731 /nfs/dbraw/zinc/33/27/31/432332731.db2.gz NFZZKCZUEGEYIQ-RBUKOAKNSA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000248990781 432332736 /nfs/dbraw/zinc/33/27/36/432332736.db2.gz NFZZKCZUEGEYIQ-RBUKOAKNSA-N 2 1 300.446 3.133 20 0 DGADMP FC(F)OCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249304648 432345002 /nfs/dbraw/zinc/34/50/02/432345002.db2.gz SZPFUZPGEGDQQH-OSYLJGHBSA-N 2 1 324.415 3.401 20 0 DGADMP COC[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000271177834 432345294 /nfs/dbraw/zinc/34/52/94/432345294.db2.gz LDLKMYMLZJYUHM-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP COC[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271177834 432345298 /nfs/dbraw/zinc/34/52/98/432345298.db2.gz LDLKMYMLZJYUHM-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP COC[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271177834 432345301 /nfs/dbraw/zinc/34/53/01/432345301.db2.gz LDLKMYMLZJYUHM-SFHVURJKSA-N 2 1 304.478 3.113 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSCc3ccccc3)CC[C@H]21 ZINC000249519363 432349819 /nfs/dbraw/zinc/34/98/19/432349819.db2.gz UGLFIAQKOOUTMY-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSCc3ccccc3)CC[C@H]21 ZINC000249519363 432349824 /nfs/dbraw/zinc/34/98/24/432349824.db2.gz UGLFIAQKOOUTMY-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSCc3ccccc3)CC[C@H]21 ZINC000249519363 432349826 /nfs/dbraw/zinc/34/98/26/432349826.db2.gz UGLFIAQKOOUTMY-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000270937624 432305293 /nfs/dbraw/zinc/30/52/93/432305293.db2.gz XZMFLKOXHPAKSL-IRXDYDNUSA-N 2 1 317.433 3.153 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000270937624 432305298 /nfs/dbraw/zinc/30/52/98/432305298.db2.gz XZMFLKOXHPAKSL-IRXDYDNUSA-N 2 1 317.433 3.153 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833486 432306133 /nfs/dbraw/zinc/30/61/33/432306133.db2.gz QSYOSTYRNVHRRV-YLJYHZDGSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000191833486 432306137 /nfs/dbraw/zinc/30/61/37/432306137.db2.gz QSYOSTYRNVHRRV-YLJYHZDGSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832720 432306157 /nfs/dbraw/zinc/30/61/57/432306157.db2.gz VIUGWOGMBFJGIX-LPHOPBHVSA-N 2 1 314.429 3.221 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832720 432306160 /nfs/dbraw/zinc/30/61/60/432306160.db2.gz VIUGWOGMBFJGIX-LPHOPBHVSA-N 2 1 314.429 3.221 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC000173912301 432307425 /nfs/dbraw/zinc/30/74/25/432307425.db2.gz HNKOXMVGCRGSNI-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000173912301 432307428 /nfs/dbraw/zinc/30/74/28/432307428.db2.gz HNKOXMVGCRGSNI-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000173912301 432307430 /nfs/dbraw/zinc/30/74/30/432307430.db2.gz HNKOXMVGCRGSNI-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346927 432379280 /nfs/dbraw/zinc/37/92/80/432379280.db2.gz XXFGHBXSFQZWCK-LSDHHAIUSA-N 2 1 306.475 3.270 20 0 DGADMP CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346927 432379283 /nfs/dbraw/zinc/37/92/83/432379283.db2.gz XXFGHBXSFQZWCK-LSDHHAIUSA-N 2 1 306.475 3.270 20 0 DGADMP C[C@H](CC[NH2+]CC1=Cc2ccccc2OC1)[NH+]1CCCCC1 ZINC000184333406 432379998 /nfs/dbraw/zinc/37/99/98/432379998.db2.gz GDVFUAACWUHBPQ-MRXNPFEDSA-N 2 1 300.446 3.317 20 0 DGADMP C[N@H+](CCC1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000271367257 432382674 /nfs/dbraw/zinc/38/26/74/432382674.db2.gz OKHMJZAPNFVZRH-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](CCC1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000271367257 432382678 /nfs/dbraw/zinc/38/26/78/432382678.db2.gz OKHMJZAPNFVZRH-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccnn1C ZINC000192666850 432398421 /nfs/dbraw/zinc/39/84/21/432398421.db2.gz DABHEOHRVUKWKM-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)C2CCC(C)CC2)CC1 ZINC000192723232 432404969 /nfs/dbraw/zinc/40/49/69/432404969.db2.gz VXJUDANLOYRRPB-UHFFFAOYSA-N 2 1 321.553 3.446 20 0 DGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000249839737 432359878 /nfs/dbraw/zinc/35/98/78/432359878.db2.gz NHPJDWRUPNDXLJ-QAPCUYQASA-N 2 1 324.896 3.270 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000192925177 432428157 /nfs/dbraw/zinc/42/81/57/432428157.db2.gz ISSYSUFGYDJBKZ-OAHLLOKOSA-N 2 1 303.450 3.172 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)C[C@@H]21 ZINC000261616090 432435431 /nfs/dbraw/zinc/43/54/31/432435431.db2.gz BRJGAKGVUQIOGQ-YSIASYRMSA-N 2 1 310.441 3.278 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000192966805 432436200 /nfs/dbraw/zinc/43/62/00/432436200.db2.gz DNCRAEINSUCQCI-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261644331 432436629 /nfs/dbraw/zinc/43/66/29/432436629.db2.gz ANOYQJNGVIOJBB-AWEZNQCLSA-N 2 1 320.864 3.234 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000153770037 432441907 /nfs/dbraw/zinc/44/19/07/432441907.db2.gz MUUVMBXAJPAKIT-ZDUSSCGKSA-N 2 1 318.383 3.324 20 0 DGADMP C[C@]1(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261731476 432443811 /nfs/dbraw/zinc/44/38/11/432443811.db2.gz HHXLIAHUIQARBJ-SFHVURJKSA-N 2 1 320.864 3.234 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]C1 ZINC000261712745 432445035 /nfs/dbraw/zinc/44/50/35/432445035.db2.gz DTPCXUMRVGTJQT-UGSOOPFHSA-N 2 1 317.408 3.146 20 0 DGADMP CCCc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261752433 432446267 /nfs/dbraw/zinc/44/62/67/432446267.db2.gz NKEKPASSTBSCNT-WBVHZDCISA-N 2 1 315.486 3.270 20 0 DGADMP CCCc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261752433 432446270 /nfs/dbraw/zinc/44/62/70/432446270.db2.gz NKEKPASSTBSCNT-WBVHZDCISA-N 2 1 315.486 3.270 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]12 ZINC000261736457 432447054 /nfs/dbraw/zinc/44/70/54/432447054.db2.gz RTELSAUDVKXXIW-GAJTVXKRSA-N 2 1 302.315 3.014 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]12 ZINC000261736457 432447057 /nfs/dbraw/zinc/44/70/57/432447057.db2.gz RTELSAUDVKXXIW-GAJTVXKRSA-N 2 1 302.315 3.014 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000261797816 432450585 /nfs/dbraw/zinc/45/05/85/432450585.db2.gz GTBNXGWPMAXPNR-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193139142 432454902 /nfs/dbraw/zinc/45/49/02/432454902.db2.gz ATZPLOMSZBXUJY-STQMWFEESA-N 2 1 305.447 3.366 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000184587776 432409371 /nfs/dbraw/zinc/40/93/71/432409371.db2.gz PXVPXKXFFBWUFN-DQLDELGASA-N 2 1 324.468 3.459 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000184587814 432410069 /nfs/dbraw/zinc/41/00/69/432410069.db2.gz PXVPXKXFFBWUFN-NDXORKPFSA-N 2 1 324.468 3.459 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000184587757 432410114 /nfs/dbraw/zinc/41/01/14/432410114.db2.gz PXVPXKXFFBWUFN-HBGVWJBISA-N 2 1 324.468 3.459 20 0 DGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192761503 432410324 /nfs/dbraw/zinc/41/03/24/432410324.db2.gz CLYVXEMZENREML-RTBURBONSA-N 2 1 309.542 3.303 20 0 DGADMP CC(C)C[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192757932 432410831 /nfs/dbraw/zinc/41/08/31/432410831.db2.gz FXEUVZQUXFNSGB-IBGZPJMESA-N 2 1 309.542 3.161 20 0 DGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192838101 432420696 /nfs/dbraw/zinc/42/06/96/432420696.db2.gz GVKANJNKRWGKSH-RBUKOAKNSA-N 2 1 309.542 3.303 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258870024 432426333 /nfs/dbraw/zinc/42/63/33/432426333.db2.gz AQOVFTTUEFHKQT-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000272246964 432471127 /nfs/dbraw/zinc/47/11/27/432471127.db2.gz BNSNIBOTWLPEHC-HNNXBMFYSA-N 2 1 308.429 3.128 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]21 ZINC000262308208 432480714 /nfs/dbraw/zinc/48/07/14/432480714.db2.gz PLDMUDJEUJVMFU-VZJVUDMVSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@@H]21 ZINC000262308208 432480719 /nfs/dbraw/zinc/48/07/19/432480719.db2.gz PLDMUDJEUJVMFU-VZJVUDMVSA-N 2 1 316.342 3.404 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1F ZINC000185239381 432481837 /nfs/dbraw/zinc/48/18/37/432481837.db2.gz JSJBZMMNZGKTST-NVXWUHKLSA-N 2 1 322.468 3.287 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000262391762 432484659 /nfs/dbraw/zinc/48/46/59/432484659.db2.gz ZYYCJMZJUBWKPJ-NWANDNLSSA-N 2 1 314.351 3.144 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272369551 432489787 /nfs/dbraw/zinc/48/97/87/432489787.db2.gz GIGVIVQZDQARHQ-ZHALLVOQSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272369551 432489792 /nfs/dbraw/zinc/48/97/92/432489792.db2.gz GIGVIVQZDQARHQ-ZHALLVOQSA-N 2 1 304.478 3.180 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360312 432489804 /nfs/dbraw/zinc/48/98/04/432489804.db2.gz SCGBKRVEPMJUIO-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CO)cc2)C1 ZINC000272360312 432489808 /nfs/dbraw/zinc/48/98/08/432489808.db2.gz SCGBKRVEPMJUIO-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000272360312 432489813 /nfs/dbraw/zinc/48/98/13/432489813.db2.gz SCGBKRVEPMJUIO-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000272360312 432489818 /nfs/dbraw/zinc/48/98/18/432489818.db2.gz SCGBKRVEPMJUIO-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H](CC[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387096 432492714 /nfs/dbraw/zinc/49/27/14/432492714.db2.gz GFZBFUDRNMXLLG-FRYIKTPZSA-N 2 1 315.505 3.112 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000154462811 432498937 /nfs/dbraw/zinc/49/89/37/432498937.db2.gz CIKKBWKHCXQRFP-LJQANCHMSA-N 2 1 317.521 3.372 20 0 DGADMP C[NH+](C)C(C)(C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272438287 432500958 /nfs/dbraw/zinc/50/09/58/432500958.db2.gz SHQIVZUUDHGRPA-LDLYASANSA-N 2 1 315.505 3.112 20 0 DGADMP Oc1cc(F)cc(C[NH2+]CCCN2CCc3ccccc3C2)c1 ZINC000185456990 432502977 /nfs/dbraw/zinc/50/29/77/432502977.db2.gz KJMZRAOWYBEKKA-UHFFFAOYSA-N 2 1 314.404 3.069 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000154499511 432503298 /nfs/dbraw/zinc/50/32/98/432503298.db2.gz IELCRBOXQWLJCK-INIZCTEOSA-N 2 1 323.912 3.408 20 0 DGADMP c1csc(-c2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)no2)c1 ZINC000261961111 432464380 /nfs/dbraw/zinc/46/43/80/432464380.db2.gz OPZAHHGUXDERKZ-OAHLLOKOSA-N 2 1 317.458 3.367 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011376 432464672 /nfs/dbraw/zinc/46/46/72/432464672.db2.gz MSWVHYRHKAVADM-DJIMGWMZSA-N 2 1 309.523 3.203 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000261964195 432465185 /nfs/dbraw/zinc/46/51/85/432465185.db2.gz AMUDSGCCLATNKN-UHFFFAOYSA-N 2 1 320.868 3.048 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1)C(C)C ZINC000261989932 432467946 /nfs/dbraw/zinc/46/79/46/432467946.db2.gz SGHOQUZYHJVIDJ-UHFFFAOYSA-N 2 1 314.433 3.305 20 0 DGADMP C[NH+](C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000154059257 432468350 /nfs/dbraw/zinc/46/83/50/432468350.db2.gz ZNHGWEPHQMVEEU-GOSISDBHSA-N 2 1 319.493 3.269 20 0 DGADMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261999564 432468534 /nfs/dbraw/zinc/46/85/34/432468534.db2.gz UADKDNYXKSXRPZ-JGGQBBKZSA-N 2 1 308.853 3.298 20 0 DGADMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261999564 432468538 /nfs/dbraw/zinc/46/85/38/432468538.db2.gz UADKDNYXKSXRPZ-JGGQBBKZSA-N 2 1 308.853 3.298 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC4CCCC4)c3)C[C@@H]2C1 ZINC000194535318 432557643 /nfs/dbraw/zinc/55/76/43/432557643.db2.gz JMMHNGFQKDIJPV-CALCHBBNSA-N 2 1 300.446 3.001 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC4CCCC4)c3)C[C@@H]2C1 ZINC000194535318 432557649 /nfs/dbraw/zinc/55/76/49/432557649.db2.gz JMMHNGFQKDIJPV-CALCHBBNSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]2C1 ZINC000194535318 432557650 /nfs/dbraw/zinc/55/76/50/432557650.db2.gz JMMHNGFQKDIJPV-CALCHBBNSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]2C1 ZINC000194535318 432557656 /nfs/dbraw/zinc/55/76/56/432557656.db2.gz JMMHNGFQKDIJPV-CALCHBBNSA-N 2 1 300.446 3.001 20 0 DGADMP C[C@H]([NH2+]Cc1ccnc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666133 432521480 /nfs/dbraw/zinc/52/14/80/432521480.db2.gz JUIABEIRPGCVMQ-ZFWWWQNUSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1ccnc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666133 432521486 /nfs/dbraw/zinc/52/14/86/432521486.db2.gz JUIABEIRPGCVMQ-ZFWWWQNUSA-N 2 1 307.869 3.478 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154844792 432525785 /nfs/dbraw/zinc/52/57/85/432525785.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 3 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154844792 432525788 /nfs/dbraw/zinc/52/57/88/432525788.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154844792 432525791 /nfs/dbraw/zinc/52/57/91/432525791.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000154844792 432525794 /nfs/dbraw/zinc/52/57/94/432525794.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000154844792 432525797 /nfs/dbraw/zinc/52/57/97/432525797.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154844792 432525800 /nfs/dbraw/zinc/52/58/00/432525800.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154844792 432525804 /nfs/dbraw/zinc/52/58/04/432525804.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154844792 432525809 /nfs/dbraw/zinc/52/58/09/432525809.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154844792 432525814 /nfs/dbraw/zinc/52/58/14/432525814.db2.gz VMFAPEFZCBEWSQ-LPHOPBHVSA-N 2 1 303.494 3.099 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1F ZINC000272653074 432533153 /nfs/dbraw/zinc/53/31/53/432533153.db2.gz QDKNJVOHXDZXNS-FHWLQOOXSA-N 2 1 320.452 3.244 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000273043610 432541401 /nfs/dbraw/zinc/54/14/01/432541401.db2.gz IWQBUKBWIOKFSU-QZTJIDSGSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617318 432613064 /nfs/dbraw/zinc/61/30/64/432613064.db2.gz ZVUZGDQRIKICRS-WQGACYEGSA-N 2 1 308.853 3.093 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000186617318 432613065 /nfs/dbraw/zinc/61/30/65/432613065.db2.gz ZVUZGDQRIKICRS-WQGACYEGSA-N 2 1 308.853 3.093 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273375538 432591628 /nfs/dbraw/zinc/59/16/28/432591628.db2.gz CMYONWOWPDFFBI-GUDVDZBRSA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273375538 432591630 /nfs/dbraw/zinc/59/16/30/432591630.db2.gz CMYONWOWPDFFBI-GUDVDZBRSA-N 2 1 320.452 3.462 20 0 DGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273375538 432591634 /nfs/dbraw/zinc/59/16/34/432591634.db2.gz CMYONWOWPDFFBI-GUDVDZBRSA-N 2 1 320.452 3.462 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000273398148 432594159 /nfs/dbraw/zinc/59/41/59/432594159.db2.gz FZSLVQKMPHNUPJ-KLIQENQMSA-N 2 1 320.452 3.366 20 0 DGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158227960 432639799 /nfs/dbraw/zinc/63/97/99/432639799.db2.gz YYQLGFDGAWGMJE-AEFFLSMTSA-N 2 1 302.462 3.449 20 0 DGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158227675 432640926 /nfs/dbraw/zinc/64/09/26/432640926.db2.gz YYQLGFDGAWGMJE-WMZOPIPTSA-N 2 1 302.462 3.449 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381481 432618830 /nfs/dbraw/zinc/61/88/30/432618830.db2.gz QGVVFYGOZUXMOX-OAHLLOKOSA-N 2 1 323.912 3.359 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158570618 432649306 /nfs/dbraw/zinc/64/93/06/432649306.db2.gz WYQBRAZIBZDIOC-HCXYKTFWSA-N 3 1 309.542 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158570618 432649308 /nfs/dbraw/zinc/64/93/08/432649308.db2.gz WYQBRAZIBZDIOC-HCXYKTFWSA-N 3 1 309.542 3.064 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158570618 432649310 /nfs/dbraw/zinc/64/93/10/432649310.db2.gz WYQBRAZIBZDIOC-HCXYKTFWSA-N 3 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158570618 432649315 /nfs/dbraw/zinc/64/93/15/432649315.db2.gz WYQBRAZIBZDIOC-HCXYKTFWSA-N 2 1 309.542 3.064 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158570618 432649318 /nfs/dbraw/zinc/64/93/18/432649318.db2.gz WYQBRAZIBZDIOC-HCXYKTFWSA-N 2 1 309.542 3.064 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2F)[C@H](C)C1 ZINC000158775866 432656475 /nfs/dbraw/zinc/65/64/75/432656475.db2.gz MJTMSARBQODQGD-RHSMWYFYSA-N 2 1 310.482 3.379 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158732456 432657026 /nfs/dbraw/zinc/65/70/26/432657026.db2.gz GDJPQDIYRPAOKZ-PBHICJAKSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219574869 432663605 /nfs/dbraw/zinc/66/36/05/432663605.db2.gz CJLGNWHUFRBOBM-UHFFFAOYSA-N 2 1 304.356 3.263 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000178158275 432700784 /nfs/dbraw/zinc/70/07/84/432700784.db2.gz HIMHTBOAHIVXAR-IIDMSEBBSA-N 2 1 316.445 3.125 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000178158275 432700788 /nfs/dbraw/zinc/70/07/88/432700788.db2.gz HIMHTBOAHIVXAR-IIDMSEBBSA-N 2 1 316.445 3.125 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000178224640 432709264 /nfs/dbraw/zinc/70/92/64/432709264.db2.gz ZEFKHLHSHGHJOS-HOTGVXAUSA-N 2 1 314.477 3.290 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178224640 432709268 /nfs/dbraw/zinc/70/92/68/432709268.db2.gz ZEFKHLHSHGHJOS-HOTGVXAUSA-N 2 1 314.477 3.290 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](c1cccs1)[NH+](C)C ZINC000227394326 432711032 /nfs/dbraw/zinc/71/10/32/432711032.db2.gz JJQLHCVEQCNUES-OWCLPIDISA-N 2 1 309.523 3.251 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000227367144 432711086 /nfs/dbraw/zinc/71/10/86/432711086.db2.gz LEQNPCNIMYXNME-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br ZINC000227367144 432711088 /nfs/dbraw/zinc/71/10/88/432711088.db2.gz LEQNPCNIMYXNME-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178256937 432712232 /nfs/dbraw/zinc/71/22/32/432712232.db2.gz PSKMJSXYIWHRCF-IBGZPJMESA-N 2 1 316.514 3.481 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000178260360 432712777 /nfs/dbraw/zinc/71/27/77/432712777.db2.gz FLCYXUFTMNTPGP-KXBFYZLASA-N 2 1 323.440 3.309 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870419 432718484 /nfs/dbraw/zinc/71/84/84/432718484.db2.gz FMNFWVHENQPHCZ-ZYSHUDEJSA-N 2 1 324.472 3.287 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870419 432718489 /nfs/dbraw/zinc/71/84/89/432718489.db2.gz FMNFWVHENQPHCZ-ZYSHUDEJSA-N 2 1 324.472 3.287 20 0 DGADMP CC(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000188352408 432719310 /nfs/dbraw/zinc/71/93/10/432719310.db2.gz ZCTDVRNHXRUEBF-GOSISDBHSA-N 2 1 304.478 3.169 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCOC1 ZINC000159238492 432676375 /nfs/dbraw/zinc/67/63/75/432676375.db2.gz XKRITGJLLACLDC-QYZOEREBSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccsc1 ZINC000187700829 432678126 /nfs/dbraw/zinc/67/81/26/432678126.db2.gz KFYYQORGYPLWBA-SFHVURJKSA-N 2 1 323.550 3.453 20 0 DGADMP CC[C@](C)(O)C[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275876986 432756273 /nfs/dbraw/zinc/75/62/73/432756273.db2.gz OLSCCYUBSVAWMM-IBGZPJMESA-N 2 1 315.461 3.245 20 0 DGADMP CC[C@](C)(O)C[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275876986 432756276 /nfs/dbraw/zinc/75/62/76/432756276.db2.gz OLSCCYUBSVAWMM-IBGZPJMESA-N 2 1 315.461 3.245 20 0 DGADMP c1cc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc2c1OCC2 ZINC000266549389 432763424 /nfs/dbraw/zinc/76/34/24/432763424.db2.gz TXQANNWMVZWTBY-UHFFFAOYSA-N 2 1 314.473 3.114 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000161525575 432782785 /nfs/dbraw/zinc/78/27/85/432782785.db2.gz SVRVYVDRKOFWQV-HNNXBMFYSA-N 2 1 314.351 3.256 20 0 DGADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170707 432778805 /nfs/dbraw/zinc/77/88/05/432778805.db2.gz HDDYEEVWFVQKSZ-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@H]2CC[NH+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170707 432778809 /nfs/dbraw/zinc/77/88/09/432778809.db2.gz HDDYEEVWFVQKSZ-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2CC[N@H+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170707 432778810 /nfs/dbraw/zinc/77/88/10/432778810.db2.gz HDDYEEVWFVQKSZ-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCCCOc3ccccc3)[C@H]2C1 ZINC000276170707 432778813 /nfs/dbraw/zinc/77/88/13/432778813.db2.gz HDDYEEVWFVQKSZ-HKUYNNGSSA-N 2 1 302.462 3.262 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CCOCC2)CC1 ZINC000178388981 432730139 /nfs/dbraw/zinc/73/01/39/432730139.db2.gz YNSSIWJXWPFZQO-QGZVFWFLSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231456473 432733201 /nfs/dbraw/zinc/73/32/01/432733201.db2.gz IEYMBSFTNGKBOQ-LBPRGKRZSA-N 2 1 304.331 3.418 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000267292341 432829975 /nfs/dbraw/zinc/82/99/75/432829975.db2.gz YEHFOKUTOGINQP-MRXNPFEDSA-N 2 1 312.457 3.337 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161637775 432789883 /nfs/dbraw/zinc/78/98/83/432789883.db2.gz FWHMECXXXHDQCO-NSISKUIASA-N 2 1 324.472 3.209 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161637775 432789886 /nfs/dbraw/zinc/78/98/86/432789886.db2.gz FWHMECXXXHDQCO-NSISKUIASA-N 2 1 324.472 3.209 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000276276613 432790986 /nfs/dbraw/zinc/79/09/86/432790986.db2.gz FAHIXYOKBZNVNO-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000276276613 432790991 /nfs/dbraw/zinc/79/09/91/432790991.db2.gz FAHIXYOKBZNVNO-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000178977735 432792342 /nfs/dbraw/zinc/79/23/42/432792342.db2.gz HBADDZMAKOQMKK-HNNXBMFYSA-N 2 1 301.459 3.433 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)CC1CCOCC1 ZINC000161782284 432798236 /nfs/dbraw/zinc/79/82/36/432798236.db2.gz ZVQMWFIAHNAMRL-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000161782284 432798241 /nfs/dbraw/zinc/79/82/41/432798241.db2.gz ZVQMWFIAHNAMRL-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000161782284 432798244 /nfs/dbraw/zinc/79/82/44/432798244.db2.gz ZVQMWFIAHNAMRL-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000276328174 432798607 /nfs/dbraw/zinc/79/86/07/432798607.db2.gz IDUCGLATFBJFBV-CYBMUJFWSA-N 2 1 303.454 3.192 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000161872149 432801411 /nfs/dbraw/zinc/80/14/11/432801411.db2.gz CDWCYHBDXNNSRA-QRVBRYPASA-N 3 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161872149 432801415 /nfs/dbraw/zinc/80/14/15/432801415.db2.gz CDWCYHBDXNNSRA-QRVBRYPASA-N 3 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000161872149 432801417 /nfs/dbraw/zinc/80/14/17/432801417.db2.gz CDWCYHBDXNNSRA-QRVBRYPASA-N 3 1 307.526 3.057 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000161901602 432803032 /nfs/dbraw/zinc/80/30/32/432803032.db2.gz NVNQQCYSODDZOU-LJQANCHMSA-N 2 1 318.509 3.026 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000161948508 432805876 /nfs/dbraw/zinc/80/58/76/432805876.db2.gz FXZGCQZLLAYKQN-HOCLYGCPSA-N 2 1 315.486 3.425 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000189671720 432809159 /nfs/dbraw/zinc/80/91/59/432809159.db2.gz QHWZFCXDORHOPU-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+](CC[C@@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189671720 432809165 /nfs/dbraw/zinc/80/91/65/432809165.db2.gz QHWZFCXDORHOPU-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189671720 432809168 /nfs/dbraw/zinc/80/91/68/432809168.db2.gz QHWZFCXDORHOPU-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3ccsc32)CCCO1 ZINC000277631234 432865605 /nfs/dbraw/zinc/86/56/05/432865605.db2.gz MZYREVOIEWCEEQ-ZDUSSCGKSA-N 2 1 305.447 3.209 20 0 DGADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3ccsc32)CCCO1 ZINC000277631234 432865607 /nfs/dbraw/zinc/86/56/07/432865607.db2.gz MZYREVOIEWCEEQ-ZDUSSCGKSA-N 2 1 305.447 3.209 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000245943825 432872895 /nfs/dbraw/zinc/87/28/95/432872895.db2.gz BFAIGFNAABGNAR-WBMJQRKESA-N 2 1 323.278 3.368 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000296316249 432894971 /nfs/dbraw/zinc/89/49/71/432894971.db2.gz GWDHOGVRPOBEQS-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000296316249 432894973 /nfs/dbraw/zinc/89/49/73/432894973.db2.gz GWDHOGVRPOBEQS-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277378683 432843873 /nfs/dbraw/zinc/84/38/73/432843873.db2.gz YCEOVTWTSNJVKQ-OAHLLOKOSA-N 2 1 308.491 3.203 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277378683 432843876 /nfs/dbraw/zinc/84/38/76/432843876.db2.gz YCEOVTWTSNJVKQ-OAHLLOKOSA-N 2 1 308.491 3.203 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245566646 432845808 /nfs/dbraw/zinc/84/58/08/432845808.db2.gz XDBMSYBFLZLCBD-YLJYHZDGSA-N 2 1 316.489 3.338 20 0 DGADMP CC[C@@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245653595 432853356 /nfs/dbraw/zinc/85/33/56/432853356.db2.gz DCURWBGTMIDVLQ-FFGOWVMKSA-N 2 1 316.489 3.180 20 0 DGADMP COc1cc(C[N@@H+](C)CCCc2cnccc2C)cc(OC)c1 ZINC000289113502 432923721 /nfs/dbraw/zinc/92/37/21/432923721.db2.gz NCUMXRSDLDTPEO-UHFFFAOYSA-N 2 1 314.429 3.472 20 0 DGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000279044467 432929035 /nfs/dbraw/zinc/92/90/35/432929035.db2.gz JPPJAGYKKBZDOG-WBVHZDCISA-N 2 1 304.503 3.382 20 0 DGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000279044462 432929427 /nfs/dbraw/zinc/92/94/27/432929427.db2.gz JPPJAGYKKBZDOG-NVXWUHKLSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278845596 432908442 /nfs/dbraw/zinc/90/84/42/432908442.db2.gz QABMMUPWMOAIPS-FRYIKTPZSA-N 2 1 316.489 3.038 20 0 DGADMP COc1ncc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000296442728 432908625 /nfs/dbraw/zinc/90/86/25/432908625.db2.gz MJKZPLPKURQVGD-HLVVYCRESA-N 2 1 309.841 3.019 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000296442728 432908628 /nfs/dbraw/zinc/90/86/28/432908628.db2.gz MJKZPLPKURQVGD-HLVVYCRESA-N 2 1 309.841 3.019 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000296525100 432918039 /nfs/dbraw/zinc/91/80/39/432918039.db2.gz QERPSHPXGOWULP-RYUDHWBXSA-N 2 1 317.260 3.445 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCC2)o1 ZINC000349468053 432965684 /nfs/dbraw/zinc/96/56/84/432965684.db2.gz XXJCXFGQICCGTG-IBGZPJMESA-N 2 1 319.493 3.046 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349599756 432980186 /nfs/dbraw/zinc/98/01/86/432980186.db2.gz OXAINKJHGUZXRC-GFCCVEGCSA-N 2 1 301.887 3.398 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000290131444 432998166 /nfs/dbraw/zinc/99/81/66/432998166.db2.gz KBTZVIVPVKJKIY-AHRSYUTCSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000290131444 432998170 /nfs/dbraw/zinc/99/81/70/432998170.db2.gz KBTZVIVPVKJKIY-AHRSYUTCSA-N 2 1 316.489 3.180 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000289439157 432959282 /nfs/dbraw/zinc/95/92/82/432959282.db2.gz LRXUDSYATAWXTH-UHFFFAOYSA-N 2 1 306.450 3.105 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000289439157 432959286 /nfs/dbraw/zinc/95/92/86/432959286.db2.gz LRXUDSYATAWXTH-UHFFFAOYSA-N 2 1 306.450 3.105 20 0 DGADMP CCN1CCCC[C@@H]1C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000280135044 433003310 /nfs/dbraw/zinc/00/33/10/433003310.db2.gz WVJPMZNIIRJHFA-MRXNPFEDSA-N 2 1 312.417 3.198 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000280158982 433006515 /nfs/dbraw/zinc/00/65/15/433006515.db2.gz QQCFYOOWGAGHCS-LAUBAEHRSA-N 2 1 323.484 3.433 20 0 DGADMP FC(F)(F)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297749517 433013646 /nfs/dbraw/zinc/01/36/46/433013646.db2.gz UCYVVYGYJZLIEB-UHFFFAOYSA-N 2 1 309.335 3.309 20 0 DGADMP C[C@H](CCN[C@@H]1C[C@H](C)n2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000297883321 433027194 /nfs/dbraw/zinc/02/71/94/433027194.db2.gz VCWQLPOCYMUSQR-SOLBZPMBSA-N 2 1 312.461 3.389 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(COCCOC)cc1 ZINC000290310346 433030495 /nfs/dbraw/zinc/03/04/95/433030495.db2.gz CDBBYCDBSZIIRQ-UHFFFAOYSA-N 2 1 322.493 3.013 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000290353144 433036980 /nfs/dbraw/zinc/03/69/80/433036980.db2.gz GFCJADRTUZIDEO-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP COC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000290365015 433037791 /nfs/dbraw/zinc/03/77/91/433037791.db2.gz QYNJRWWEJPTWHX-ULQDDVLXSA-N 2 1 308.853 3.244 20 0 DGADMP CN(CCC[N@@H+](C)[C@H]1CCc2ccc(Cl)cc21)CC[NH+](C)C ZINC000344029940 289132955 /nfs/dbraw/zinc/13/29/55/289132955.db2.gz BCXMWVWUMHYVLP-SFHVURJKSA-N 2 1 323.912 3.143 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000453336685 433098831 /nfs/dbraw/zinc/09/88/31/433098831.db2.gz AMGACNDSTBZZFV-UGEIDEBPSA-N 2 1 302.462 3.260 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000280545092 433081685 /nfs/dbraw/zinc/08/16/85/433081685.db2.gz JOJPPKWBBBQQEB-UHFFFAOYSA-N 2 1 324.472 3.154 20 0 DGADMP COc1ccc2oc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)cc2c1 ZINC000290538006 433088259 /nfs/dbraw/zinc/08/82/59/433088259.db2.gz RBXCTCDKXBPZEY-CXAGYDPISA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)cc2c1 ZINC000290538006 433088266 /nfs/dbraw/zinc/08/82/66/433088266.db2.gz RBXCTCDKXBPZEY-CXAGYDPISA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2c1 ZINC000290538006 433088275 /nfs/dbraw/zinc/08/82/75/433088275.db2.gz RBXCTCDKXBPZEY-CXAGYDPISA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2c1 ZINC000290538006 433088286 /nfs/dbraw/zinc/08/82/86/433088286.db2.gz RBXCTCDKXBPZEY-CXAGYDPISA-N 2 1 302.418 3.213 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546832 433090697 /nfs/dbraw/zinc/09/06/97/433090697.db2.gz RNNNRDRCGFWWBC-GYOZFHMUSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546832 433090706 /nfs/dbraw/zinc/09/07/06/433090706.db2.gz RNNNRDRCGFWWBC-GYOZFHMUSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccc(F)c(F)c2)C1 ZINC000290546832 433090714 /nfs/dbraw/zinc/09/07/14/433090714.db2.gz RNNNRDRCGFWWBC-GYOZFHMUSA-N 2 1 306.400 3.394 20 0 DGADMP COCC1(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000361298715 433091319 /nfs/dbraw/zinc/09/13/19/433091319.db2.gz YSIOJYIYDSJTTO-GOSISDBHSA-N 2 1 308.510 3.247 20 0 DGADMP Cc1[nH+]ccc(N2CC[NH+](CCc3cccs3)CC2)c1Cl ZINC000350311297 433129707 /nfs/dbraw/zinc/12/97/07/433129707.db2.gz HFQOUVFTVOOSMK-UHFFFAOYSA-N 2 1 321.877 3.470 20 0 DGADMP CCCC1CCC(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000373219255 433134315 /nfs/dbraw/zinc/13/43/15/433134315.db2.gz WHIBVVKIKPSWFX-SOAGJPPSSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)C1CC1 ZINC000453392397 433148733 /nfs/dbraw/zinc/14/87/33/433148733.db2.gz FFZQMCZWHWZYSX-INIZCTEOSA-N 2 1 319.424 3.063 20 0 DGADMP Fc1cccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420300770 433152656 /nfs/dbraw/zinc/15/26/56/433152656.db2.gz KMHKVFXUMMPFNH-APWZRJJASA-N 2 1 320.452 3.196 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000350156195 433100802 /nfs/dbraw/zinc/10/08/02/433100802.db2.gz QHCSOLPGCNKPQC-HZPDHXFCSA-N 2 1 308.441 3.319 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000290737847 433153606 /nfs/dbraw/zinc/15/36/06/433153606.db2.gz PVSIFJWVQYDIKA-CJNGLKHVSA-N 2 1 319.836 3.076 20 0 DGADMP c1ccc([C@@H]2OCCC[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298338059 433101097 /nfs/dbraw/zinc/10/10/97/433101097.db2.gz JCOBLLNKDRAWLY-PXNSSMCTSA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)CC ZINC000453342502 433104214 /nfs/dbraw/zinc/10/42/14/433104214.db2.gz CPRSYKICPMQTDD-OBKDMQGPSA-N 2 1 316.489 3.321 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)CC1CCCC1 ZINC000420306246 433153952 /nfs/dbraw/zinc/15/39/52/433153952.db2.gz AFVBGBRZWBATLP-UHFFFAOYSA-N 2 1 315.383 3.441 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000361345245 433120077 /nfs/dbraw/zinc/12/00/77/433120077.db2.gz IGLOKMGXLFCYMO-QUCCMNQESA-N 2 1 316.489 3.137 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1 ZINC000420304842 433155516 /nfs/dbraw/zinc/15/55/16/433155516.db2.gz OTVUKURULDUPHG-PBHICJAKSA-N 2 1 314.429 3.136 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420301575 433156438 /nfs/dbraw/zinc/15/64/38/433156438.db2.gz LMIWWSQYMHJSHR-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420301575 433156445 /nfs/dbraw/zinc/15/64/45/433156445.db2.gz LMIWWSQYMHJSHR-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420310918 433158621 /nfs/dbraw/zinc/15/86/21/433158621.db2.gz QJHLJJDOKZVVBS-OFQRWUPVSA-N 2 1 323.278 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420310913 433161744 /nfs/dbraw/zinc/16/17/44/433161744.db2.gz QJHLJJDOKZVVBS-DZKIICNBSA-N 2 1 323.278 3.317 20 0 DGADMP CC[N@@H+](CCOc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000420318079 433162480 /nfs/dbraw/zinc/16/24/80/433162480.db2.gz VPVHVWVHSPDVCG-ZDUSSCGKSA-N 2 1 314.832 3.322 20 0 DGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420321245 433164731 /nfs/dbraw/zinc/16/47/31/433164731.db2.gz QZXLVDOFJVGFSG-QGZVFWFLSA-N 2 1 317.477 3.035 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000420325063 433165243 /nfs/dbraw/zinc/16/52/43/433165243.db2.gz WCLVOZXXVBFQFC-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420326317 433165706 /nfs/dbraw/zinc/16/57/06/433165706.db2.gz CELJJKVTJGEFCX-HDICACEKSA-N 2 1 314.473 3.246 20 0 DGADMP COC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000453413883 433165892 /nfs/dbraw/zinc/16/58/92/433165892.db2.gz WQBCXIJLCJCCQW-QGZVFWFLSA-N 2 1 310.869 3.492 20 0 DGADMP c1ccc2sc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420323619 433167287 /nfs/dbraw/zinc/16/72/87/433167287.db2.gz GJPFACFNUBZLOJ-ZIAGYGMSSA-N 2 1 301.459 3.118 20 0 DGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000420324290 433167866 /nfs/dbraw/zinc/16/78/66/433167866.db2.gz VBXFHNVSEOINBS-OAHLLOKOSA-N 2 1 300.450 3.145 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)nc2C)C[C@H]1C ZINC000447177296 433168565 /nfs/dbraw/zinc/16/85/65/433168565.db2.gz NCEXOHJCIIIENU-UKRRQHHQSA-N 2 1 304.438 3.035 20 0 DGADMP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)c1 ZINC000453413471 433168488 /nfs/dbraw/zinc/16/84/88/433168488.db2.gz HULLJYFZVWHLOQ-KLHDSHLOSA-N 2 1 306.475 3.185 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340287 433169595 /nfs/dbraw/zinc/16/95/95/433169595.db2.gz ZXATWGHCVGBCAH-DZGCQCFKSA-N 2 1 308.853 3.088 20 0 DGADMP c1csc(-c2cnc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)o2)c1 ZINC000420337012 433170613 /nfs/dbraw/zinc/17/06/13/433170613.db2.gz MZFFZIJSCMHQEO-AWEZNQCLSA-N 2 1 317.458 3.367 20 0 DGADMP Clc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331585 433171680 /nfs/dbraw/zinc/17/16/80/433171680.db2.gz QZHRPYCTUYHVIB-RYUDHWBXSA-N 2 1 314.260 3.210 20 0 DGADMP Clc1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420331585 433171684 /nfs/dbraw/zinc/17/16/84/433171684.db2.gz QZHRPYCTUYHVIB-RYUDHWBXSA-N 2 1 314.260 3.210 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336658955 433172544 /nfs/dbraw/zinc/17/25/44/433172544.db2.gz WVCBASQMCFJRRI-PSBWJHGTSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc2n1 ZINC000420333299 433172489 /nfs/dbraw/zinc/17/24/89/433172489.db2.gz SPCHHKAYAGJICM-IAGOWNOFSA-N 2 1 309.457 3.365 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000420361122 433174110 /nfs/dbraw/zinc/17/41/10/433174110.db2.gz MSFXOEGEYXWEOE-ZFWWWQNUSA-N 2 1 307.507 3.404 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000420355859 433174483 /nfs/dbraw/zinc/17/44/83/433174483.db2.gz FKBCPODVOAUYIX-ZDUSSCGKSA-N 2 1 305.249 3.335 20 0 DGADMP CCCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000298547117 433174492 /nfs/dbraw/zinc/17/44/92/433174492.db2.gz UFRZCPDRHPHUGC-SFHVURJKSA-N 2 1 301.434 3.492 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCSC4)[C@H]3C2)cc1 ZINC000336659565 433175144 /nfs/dbraw/zinc/17/51/44/433175144.db2.gz YSTGDFJYTKDTIC-VJANTYMQSA-N 2 1 316.514 3.382 20 0 DGADMP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335614 433175681 /nfs/dbraw/zinc/17/56/81/433175681.db2.gz IYBLQNLYWJOKPZ-SUMWQHHRSA-N 2 1 316.424 3.208 20 0 DGADMP C[C@H]1C[C@H](c2ccccc2F)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335614 433175685 /nfs/dbraw/zinc/17/56/85/433175685.db2.gz IYBLQNLYWJOKPZ-SUMWQHHRSA-N 2 1 316.424 3.208 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000420355856 433176814 /nfs/dbraw/zinc/17/68/14/433176814.db2.gz FKBCPODVOAUYIX-CYBMUJFWSA-N 2 1 305.249 3.335 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420357924 433177555 /nfs/dbraw/zinc/17/75/55/433177555.db2.gz IDGQFOFHNMBDLY-CYBMUJFWSA-N 2 1 315.230 3.066 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000336703118 433181997 /nfs/dbraw/zinc/18/19/97/433181997.db2.gz KFRAJWDHQPWHOK-RTWAWAEBSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000336703118 433182007 /nfs/dbraw/zinc/18/20/07/433182007.db2.gz KFRAJWDHQPWHOK-RTWAWAEBSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000336703118 433182014 /nfs/dbraw/zinc/18/20/14/433182014.db2.gz KFRAJWDHQPWHOK-RTWAWAEBSA-N 2 1 321.468 3.078 20 0 DGADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CC[NH2+]C1 ZINC000420383375 433190322 /nfs/dbraw/zinc/19/03/22/433190322.db2.gz ZLFDTEUZQUXSAJ-LSDHHAIUSA-N 2 1 319.518 3.201 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420386506 433191732 /nfs/dbraw/zinc/19/17/32/433191732.db2.gz UVTGXIYOTBWICZ-PXAZEXFGSA-N 2 1 302.462 3.231 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420381553 433193414 /nfs/dbraw/zinc/19/34/14/433193414.db2.gz XVDUKRPBVBQCOZ-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420381553 433193419 /nfs/dbraw/zinc/19/34/19/433193419.db2.gz XVDUKRPBVBQCOZ-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000361508487 433216340 /nfs/dbraw/zinc/21/63/40/433216340.db2.gz MPGXHLASYGTMJK-KRWDZBQOSA-N 2 1 305.466 3.010 20 0 DGADMP Cn1cc(-c2ccc(C[NH2+]CCCC[N@@H+](C)C3CC3)s2)cn1 ZINC000453600301 433228884 /nfs/dbraw/zinc/22/88/84/433228884.db2.gz SRBWPBWWVZBJOQ-UHFFFAOYSA-N 2 1 318.490 3.113 20 0 DGADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413981 433229976 /nfs/dbraw/zinc/22/99/76/433229976.db2.gz CYGBHFYFKMHGGQ-NSISKUIASA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413981 433229988 /nfs/dbraw/zinc/22/99/88/433229988.db2.gz CYGBHFYFKMHGGQ-NSISKUIASA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413981 433229999 /nfs/dbraw/zinc/22/99/99/433229999.db2.gz CYGBHFYFKMHGGQ-NSISKUIASA-N 2 1 316.489 3.396 20 0 DGADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000425413981 433230007 /nfs/dbraw/zinc/23/00/07/433230007.db2.gz CYGBHFYFKMHGGQ-NSISKUIASA-N 2 1 316.489 3.396 20 0 DGADMP COC(=O)c1ccc(Cl)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453598744 433230684 /nfs/dbraw/zinc/23/06/84/433230684.db2.gz QEGWMDPBCGBUMG-UHFFFAOYSA-N 2 1 324.852 3.091 20 0 DGADMP COC1(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000361590396 433269004 /nfs/dbraw/zinc/26/90/04/433269004.db2.gz YTBYGLXPRGUZJV-UHFFFAOYSA-N 2 1 317.477 3.189 20 0 DGADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[NH+]1CCCCCC1 ZINC000412563442 433243597 /nfs/dbraw/zinc/24/35/97/433243597.db2.gz ZSSNLNMJPFPLRV-CQSZACIVSA-N 2 1 321.440 3.090 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000280996078 433246921 /nfs/dbraw/zinc/24/69/21/433246921.db2.gz MEZDRNDEJINZGH-IBGZPJMESA-N 2 1 302.462 3.480 20 0 DGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000374960810 433319818 /nfs/dbraw/zinc/31/98/18/433319818.db2.gz GZHNWUDQJSXKSK-AQNXPRMDSA-N 2 1 321.553 3.303 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000337995493 433270458 /nfs/dbraw/zinc/27/04/58/433270458.db2.gz NFEKYLHQERBVEU-WOJBJXKFSA-N 2 1 314.473 3.187 20 0 DGADMP CCc1nocc1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000350748555 433274147 /nfs/dbraw/zinc/27/41/47/433274147.db2.gz QLNDMRIXANWXHR-HZPDHXFCSA-N 2 1 305.466 3.323 20 0 DGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000341786525 433277575 /nfs/dbraw/zinc/27/75/75/433277575.db2.gz QWWFPDJPSRNTIN-QUCCMNQESA-N 2 1 316.489 3.234 20 0 DGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000341786533 433278980 /nfs/dbraw/zinc/27/89/80/433278980.db2.gz QWWFPDJPSRNTIN-UYAOXDASSA-N 2 1 316.489 3.234 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCC2CCCCC2)C1 ZINC000361602975 433279298 /nfs/dbraw/zinc/27/92/98/433279298.db2.gz OXUPOMWQNSCXKJ-FQEVSTJZSA-N 2 1 316.489 3.313 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900577 433303021 /nfs/dbraw/zinc/30/30/21/433303021.db2.gz JKJWQNFEEIIAAV-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900577 433303028 /nfs/dbraw/zinc/30/30/28/433303028.db2.gz JKJWQNFEEIIAAV-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CCCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420905722 433305031 /nfs/dbraw/zinc/30/50/31/433305031.db2.gz RJISFFIUXWQNKB-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CCCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420905722 433305044 /nfs/dbraw/zinc/30/50/44/433305044.db2.gz RJISFFIUXWQNKB-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CCCC1 ZINC000420908585 433306011 /nfs/dbraw/zinc/30/60/11/433306011.db2.gz XEFJEAYEQHBVPB-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CCCC1 ZINC000420908585 433306023 /nfs/dbraw/zinc/30/60/23/433306023.db2.gz XEFJEAYEQHBVPB-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420914607 433307325 /nfs/dbraw/zinc/30/73/25/433307325.db2.gz CKZUIIKZUUFAJA-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(F)c1)C[NH+](C)C ZINC000425935118 433377594 /nfs/dbraw/zinc/37/75/94/433377594.db2.gz GYSRAKPFYLUKDF-MNOVXSKESA-N 2 1 317.246 3.437 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(C)(C)CC)CC2)CC1 ZINC000420978180 433360605 /nfs/dbraw/zinc/36/06/05/433360605.db2.gz JCGOLXPNQUHCAV-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000339002126 433329781 /nfs/dbraw/zinc/32/97/81/433329781.db2.gz WXWXIVRCDZARON-OAHLLOKOSA-N 2 1 324.472 3.937 20 0 DGADMP Cc1cc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000339002126 433329791 /nfs/dbraw/zinc/32/97/91/433329791.db2.gz WXWXIVRCDZARON-OAHLLOKOSA-N 2 1 324.472 3.937 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341884081 433334181 /nfs/dbraw/zinc/33/41/81/433334181.db2.gz KACSRSSHMBLLFK-MTFMMBMASA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341884081 433334196 /nfs/dbraw/zinc/33/41/96/433334196.db2.gz KACSRSSHMBLLFK-MTFMMBMASA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000341893979 433340955 /nfs/dbraw/zinc/34/09/55/433340955.db2.gz ZNJHVNHJXHUEBD-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]2CCCO2)cc1 ZINC000339069056 433341272 /nfs/dbraw/zinc/34/12/72/433341272.db2.gz QPMWFHHEAWKKHY-HCXYKTFWSA-N 2 1 318.436 3.262 20 0 DGADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]2CCCO2)cc1 ZINC000339069056 433341282 /nfs/dbraw/zinc/34/12/82/433341282.db2.gz QPMWFHHEAWKKHY-HCXYKTFWSA-N 2 1 318.436 3.262 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339068719 433342128 /nfs/dbraw/zinc/34/21/28/433342128.db2.gz MKDHVWQRVUSRQW-NLWGTHIKSA-N 2 1 316.489 3.476 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000341893974 433342636 /nfs/dbraw/zinc/34/26/36/433342636.db2.gz ZNJHVNHJXHUEBD-MSOLQXFVSA-N 2 1 324.896 3.474 20 0 DGADMP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950508 433343343 /nfs/dbraw/zinc/34/33/43/433343343.db2.gz RIFIWRIKTOEGJX-APWZRJJASA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950508 433343352 /nfs/dbraw/zinc/34/33/52/433343352.db2.gz RIFIWRIKTOEGJX-APWZRJJASA-N 2 1 302.462 3.282 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069488 433343448 /nfs/dbraw/zinc/34/34/48/433343448.db2.gz WBINNKZQCIDEGV-IEBWSBKVSA-N 2 1 304.478 3.474 20 0 DGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C/C=C/c3ccncc3)C1)CCCC2 ZINC000426169647 433430970 /nfs/dbraw/zinc/43/09/70/433430970.db2.gz GRZKYKSYFURQBK-WRFKIARRSA-N 2 1 322.456 3.426 20 0 DGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C/C=C/c3ccncc3)C1)CCCC2 ZINC000426169647 433430982 /nfs/dbraw/zinc/43/09/82/433430982.db2.gz GRZKYKSYFURQBK-WRFKIARRSA-N 2 1 322.456 3.426 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425974073 433389541 /nfs/dbraw/zinc/38/95/41/433389541.db2.gz AVDANGLYOTVFLB-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425974073 433389547 /nfs/dbraw/zinc/38/95/47/433389547.db2.gz AVDANGLYOTVFLB-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000425974073 433389555 /nfs/dbraw/zinc/38/95/55/433389555.db2.gz AVDANGLYOTVFLB-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP CC(C)CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000425974073 433389562 /nfs/dbraw/zinc/38/95/62/433389562.db2.gz AVDANGLYOTVFLB-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCSCc1ccccc1 ZINC000361801217 433395646 /nfs/dbraw/zinc/39/56/46/433395646.db2.gz VVFXLWCYTBHYPI-MSOLQXFVSA-N 2 1 304.503 3.478 20 0 DGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCSCc1ccccc1 ZINC000361801217 433395650 /nfs/dbraw/zinc/39/56/50/433395650.db2.gz VVFXLWCYTBHYPI-MSOLQXFVSA-N 2 1 304.503 3.478 20 0 DGADMP C[C@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000421032546 433398260 /nfs/dbraw/zinc/39/82/60/433398260.db2.gz WVWMJGWKOGPXOK-QFBILLFUSA-N 2 1 302.462 3.018 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)n2C)c1 ZINC000281834331 433399592 /nfs/dbraw/zinc/39/95/92/433399592.db2.gz XYXHYIJBOLQPII-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)n2C)c1 ZINC000281834331 433399601 /nfs/dbraw/zinc/39/96/01/433399601.db2.gz XYXHYIJBOLQPII-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414844864 289940083 /nfs/dbraw/zinc/94/00/83/289940083.db2.gz DDKQFCMUAVOBMN-NTDBWNAOSA-N 3 1 307.526 3.007 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414142093 433422507 /nfs/dbraw/zinc/42/25/07/433422507.db2.gz KCQKIFNCIYUHEF-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000414142093 433422513 /nfs/dbraw/zinc/42/25/13/433422513.db2.gz KCQKIFNCIYUHEF-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC(F)(c2cccnc2)CC1 ZINC000375339262 433433180 /nfs/dbraw/zinc/43/31/80/433433180.db2.gz XVSUDVCDJPBJHT-QGZVFWFLSA-N 2 1 305.441 3.217 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375339262 433433190 /nfs/dbraw/zinc/43/31/90/433433190.db2.gz XVSUDVCDJPBJHT-QGZVFWFLSA-N 2 1 305.441 3.217 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(Cl)c1 ZINC000355048001 433436099 /nfs/dbraw/zinc/43/60/99/433436099.db2.gz ZOHVDEHKRSTFNV-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(Cl)c1 ZINC000355048001 433436104 /nfs/dbraw/zinc/43/61/04/433436104.db2.gz ZOHVDEHKRSTFNV-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414173424 433437474 /nfs/dbraw/zinc/43/74/74/433437474.db2.gz GGSOAYUFLYHZDT-KBPBESRZSA-N 2 1 307.507 3.404 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887009 433437461 /nfs/dbraw/zinc/43/74/61/433437461.db2.gz BKKQIAPLNOIIAC-MAUKXSAKSA-N 2 1 316.470 3.036 20 0 DGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887009 433437470 /nfs/dbraw/zinc/43/74/70/433437470.db2.gz BKKQIAPLNOIIAC-MAUKXSAKSA-N 2 1 316.470 3.036 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000414169764 433438503 /nfs/dbraw/zinc/43/85/03/433438503.db2.gz BMEMBYGCTQMGHD-QAPCUYQASA-N 2 1 318.461 3.246 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000355088820 433456126 /nfs/dbraw/zinc/45/61/26/433456126.db2.gz IAZHBWYBYISSBQ-DZGCQCFKSA-N 2 1 305.853 3.497 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000355088825 433457270 /nfs/dbraw/zinc/45/72/70/433457270.db2.gz IAZHBWYBYISSBQ-HIFRSBDPSA-N 2 1 305.853 3.497 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414201756 433457184 /nfs/dbraw/zinc/45/71/84/433457184.db2.gz YOZGDXPPMQBAQF-HNAYVOBHSA-N 2 1 302.462 3.394 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342089875 433461349 /nfs/dbraw/zinc/46/13/49/433461349.db2.gz BQEZLAKZKMCGFJ-GVDBMIGSSA-N 2 1 311.429 3.209 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422839008 290053348 /nfs/dbraw/zinc/05/33/48/290053348.db2.gz PLHRYUAMSVDELP-LCLWPZTBSA-N 2 1 315.505 3.160 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000426341922 433467523 /nfs/dbraw/zinc/46/75/23/433467523.db2.gz GXMZGXFUELJLTN-IPMKNSEASA-N 2 1 316.489 3.159 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414212494 433467648 /nfs/dbraw/zinc/46/76/48/433467648.db2.gz WQPYQGNYSGMQGV-FFGOWVMKSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414209484 433463548 /nfs/dbraw/zinc/46/35/48/433463548.db2.gz MQKOYNLFIMSEMU-UTBUEMAESA-N 2 1 314.473 3.054 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@@H]21 ZINC000342100413 433470250 /nfs/dbraw/zinc/47/02/50/433470250.db2.gz KEAYYESLIGELQU-XOKHGSTOSA-N 2 1 315.848 3.447 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292142292 433478898 /nfs/dbraw/zinc/47/88/98/433478898.db2.gz MHGOJCNLJNODIT-CRAIPNDOSA-N 2 1 317.408 3.088 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000414245940 433480416 /nfs/dbraw/zinc/48/04/16/433480416.db2.gz UBVKLCKVBZJGKQ-KBPBESRZSA-N 2 1 308.416 3.459 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667490 433520439 /nfs/dbraw/zinc/52/04/39/433520439.db2.gz YIWHKDPOLDMNNJ-BEFAXECRSA-N 2 1 324.472 3.266 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000375667490 433520450 /nfs/dbraw/zinc/52/04/50/433520450.db2.gz YIWHKDPOLDMNNJ-BEFAXECRSA-N 2 1 324.472 3.266 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477532 433521011 /nfs/dbraw/zinc/52/10/11/433521011.db2.gz NLCKMWDPAOSOMU-NQIIRXRSSA-N 2 1 324.468 3.432 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477532 433521020 /nfs/dbraw/zinc/52/10/20/433521020.db2.gz NLCKMWDPAOSOMU-NQIIRXRSSA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477532 433521030 /nfs/dbraw/zinc/52/10/30/433521030.db2.gz NLCKMWDPAOSOMU-NQIIRXRSSA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000351477532 433521043 /nfs/dbraw/zinc/52/10/43/433521043.db2.gz NLCKMWDPAOSOMU-NQIIRXRSSA-N 2 1 324.468 3.432 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@@H]12 ZINC000351474467 433522139 /nfs/dbraw/zinc/52/21/39/433522139.db2.gz GDDUYCNSCUVMDI-DAXOMENPSA-N 2 1 301.821 3.057 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)C(C)C ZINC000414299188 433525538 /nfs/dbraw/zinc/52/55/38/433525538.db2.gz RHPSROQZSDIBCC-OJAHFUOMSA-N 2 1 318.505 3.425 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)C(C)C ZINC000414299188 433525545 /nfs/dbraw/zinc/52/55/45/433525545.db2.gz RHPSROQZSDIBCC-OJAHFUOMSA-N 2 1 318.505 3.425 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](O)C(C)C ZINC000414299903 433526178 /nfs/dbraw/zinc/52/61/78/433526178.db2.gz RONQYSWKQCJBKZ-PMACEKPBSA-N 2 1 318.505 3.079 20 0 DGADMP C[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000282196108 433527264 /nfs/dbraw/zinc/52/72/64/433527264.db2.gz CGSLLPFACJPOEX-OAHLLOKOSA-N 2 1 323.912 3.059 20 0 DGADMP Cc1nc2ccccn2c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355203912 433530524 /nfs/dbraw/zinc/53/05/24/433530524.db2.gz FUNXPUCOAUWNKX-FUHWJXTLSA-N 2 1 324.472 3.091 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414322704 433541471 /nfs/dbraw/zinc/54/14/71/433541471.db2.gz FWLNERRWGKSRRA-RYRKJORJSA-N 2 1 300.446 3.289 20 0 DGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414322704 433541476 /nfs/dbraw/zinc/54/14/76/433541476.db2.gz FWLNERRWGKSRRA-RYRKJORJSA-N 2 1 300.446 3.289 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000351501369 433533828 /nfs/dbraw/zinc/53/38/28/433533828.db2.gz XWYCBVDYNMOXKS-MPKXVKKWSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000351501369 433533831 /nfs/dbraw/zinc/53/38/31/433533831.db2.gz XWYCBVDYNMOXKS-MPKXVKKWSA-N 2 1 315.244 3.041 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000339277667 433489902 /nfs/dbraw/zinc/48/99/02/433489902.db2.gz CWJBWVQHZFUSLW-UHFFFAOYSA-N 2 1 324.428 3.340 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000375584837 433499007 /nfs/dbraw/zinc/49/90/07/433499007.db2.gz RYEJLHVPUHKCDM-LSDHHAIUSA-N 2 1 309.457 3.242 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000375584837 433499018 /nfs/dbraw/zinc/49/90/18/433499018.db2.gz RYEJLHVPUHKCDM-LSDHHAIUSA-N 2 1 309.457 3.242 20 0 DGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@H]4CCC[C@H]43)C2)cc1 ZINC000342157232 433504680 /nfs/dbraw/zinc/50/46/80/433504680.db2.gz FTLAUTGIXRMZNA-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282268782 433549150 /nfs/dbraw/zinc/54/91/50/433549150.db2.gz ALFGLVWEECUGFR-QZTJIDSGSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282268782 433549158 /nfs/dbraw/zinc/54/91/58/433549158.db2.gz ALFGLVWEECUGFR-QZTJIDSGSA-N 2 1 304.478 3.302 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414339728 433554526 /nfs/dbraw/zinc/55/45/26/433554526.db2.gz LXDKAGSYHHLXMT-FAJBIJEISA-N 2 1 300.446 3.015 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000414345912 433559342 /nfs/dbraw/zinc/55/93/42/433559342.db2.gz UHQZFSBJYQMFFX-HKJYQUGISA-N 2 1 302.462 3.117 20 0 DGADMP FC(F)(F)c1cccc(CCCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000339405674 433563463 /nfs/dbraw/zinc/56/34/63/433563463.db2.gz BLAAFNHESROLDF-UHFFFAOYSA-N 2 1 300.368 3.323 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCCCOc3ccccc3)C[C@H]21 ZINC000339407047 433564076 /nfs/dbraw/zinc/56/40/76/433564076.db2.gz KCHGMRJJGUGUDN-QXAKKESOSA-N 2 1 302.462 3.295 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCSC1 ZINC000339412769 433568603 /nfs/dbraw/zinc/56/86/03/433568603.db2.gz RJEDBGUAKVWKPF-QYZOEREBSA-N 2 1 318.530 3.412 20 0 DGADMP CCOc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362185489 433571838 /nfs/dbraw/zinc/57/18/38/433571838.db2.gz LIQXLRRQSGKOIY-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362185489 433571845 /nfs/dbraw/zinc/57/18/45/433571845.db2.gz LIQXLRRQSGKOIY-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000362185489 433571859 /nfs/dbraw/zinc/57/18/59/433571859.db2.gz LIQXLRRQSGKOIY-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000362185489 433571869 /nfs/dbraw/zinc/57/18/69/433571869.db2.gz LIQXLRRQSGKOIY-IAGOWNOFSA-N 2 1 320.477 3.269 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OCC(C)C ZINC000424386566 533693267 /nfs/dbraw/zinc/69/32/67/533693267.db2.gz XMRILAAAWJZEJC-HZPDHXFCSA-N 2 1 306.450 3.090 20 0 DGADMP COc1ccc(Cl)cc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427490 433573888 /nfs/dbraw/zinc/57/38/88/433573888.db2.gz VUKAJSZCACLWKH-QGZVFWFLSA-N 2 1 308.853 3.266 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574363 433586646 /nfs/dbraw/zinc/58/66/46/433586646.db2.gz OIJWTTNDPFEGDW-ROUUACIJSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574363 433586655 /nfs/dbraw/zinc/58/66/55/433586655.db2.gz OIJWTTNDPFEGDW-ROUUACIJSA-N 2 1 324.896 3.472 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572180 433587267 /nfs/dbraw/zinc/58/72/67/433587267.db2.gz CFQGUHYFZREBKT-MSOLQXFVSA-N 2 1 322.880 3.226 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000351572180 433587274 /nfs/dbraw/zinc/58/72/74/433587274.db2.gz CFQGUHYFZREBKT-MSOLQXFVSA-N 2 1 322.880 3.226 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574634 433590076 /nfs/dbraw/zinc/59/00/76/433590076.db2.gz PQORLPJKYJNCDR-QZTJIDSGSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574634 433590086 /nfs/dbraw/zinc/59/00/86/433590086.db2.gz PQORLPJKYJNCDR-QZTJIDSGSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577093 433591486 /nfs/dbraw/zinc/59/14/86/433591486.db2.gz ZDNQGDCYWBUKKG-OALUTQOASA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577093 433591502 /nfs/dbraw/zinc/59/15/02/433591502.db2.gz ZDNQGDCYWBUKKG-OALUTQOASA-N 2 1 320.452 3.102 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000282413068 433600570 /nfs/dbraw/zinc/60/05/70/433600570.db2.gz CIEVGKDVLPRMPY-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000282413068 433600583 /nfs/dbraw/zinc/60/05/83/433600583.db2.gz CIEVGKDVLPRMPY-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H]1CCC[NH+](C)C1 ZINC000351600304 433605068 /nfs/dbraw/zinc/60/50/68/433605068.db2.gz DAIHEIHLEORSGV-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H]1CCC[N@H+](C)C1 ZINC000351600304 433605075 /nfs/dbraw/zinc/60/50/75/433605075.db2.gz DAIHEIHLEORSGV-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H]1CCC[N@@H+](C)C1 ZINC000351600304 433605082 /nfs/dbraw/zinc/60/50/82/433605082.db2.gz DAIHEIHLEORSGV-INIZCTEOSA-N 2 1 302.462 3.174 20 0 DGADMP C[C@H]1CCC[C@@]1(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339564881 433657030 /nfs/dbraw/zinc/65/70/30/433657030.db2.gz UUYBGSHHVWXGBD-FXAWDEMLSA-N 2 1 318.505 3.285 20 0 DGADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000351683484 433659063 /nfs/dbraw/zinc/65/90/63/433659063.db2.gz DMOUNWHNWOGJLI-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000351683484 433659073 /nfs/dbraw/zinc/65/90/73/433659073.db2.gz DMOUNWHNWOGJLI-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000376102643 433665908 /nfs/dbraw/zinc/66/59/08/433665908.db2.gz IZUDGFXXVCUGCR-SXLOBPIMSA-N 2 1 316.489 3.412 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704460 433676455 /nfs/dbraw/zinc/67/64/55/433676455.db2.gz YYSJXHJBGLAVNO-WBVHZDCISA-N 2 1 317.477 3.175 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704460 433676464 /nfs/dbraw/zinc/67/64/64/433676464.db2.gz YYSJXHJBGLAVNO-WBVHZDCISA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704460 433676472 /nfs/dbraw/zinc/67/64/72/433676472.db2.gz YYSJXHJBGLAVNO-WBVHZDCISA-N 2 1 317.477 3.175 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(C)(C)C)n3)CC[C@@H]21 ZINC000351704460 433676481 /nfs/dbraw/zinc/67/64/81/433676481.db2.gz YYSJXHJBGLAVNO-WBVHZDCISA-N 2 1 317.477 3.175 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025718 433678333 /nfs/dbraw/zinc/67/83/33/433678333.db2.gz CMAQWVGDSPMZNN-QAPCUYQASA-N 2 1 304.482 3.160 20 0 DGADMP COc1cccc2c(N(C)C[C@H]3CCC[N@@H+](C)C3)cc(C)nc12 ZINC000301686979 433678619 /nfs/dbraw/zinc/67/86/19/433678619.db2.gz UUYYUHKKCYOQGW-HNNXBMFYSA-N 2 1 313.445 3.330 20 0 DGADMP COc1cccc2c(N(C)C[C@H]3CCC[N@H+](C)C3)cc(C)[nH+]c12 ZINC000301686979 433678625 /nfs/dbraw/zinc/67/86/25/433678625.db2.gz UUYYUHKKCYOQGW-HNNXBMFYSA-N 2 1 313.445 3.330 20 0 DGADMP COc1cccc2c(N(C)C[C@H]3CCC[N@@H+](C)C3)cc(C)[nH+]c12 ZINC000301686979 433678637 /nfs/dbraw/zinc/67/86/37/433678637.db2.gz UUYYUHKKCYOQGW-HNNXBMFYSA-N 2 1 313.445 3.330 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000356770034 433686903 /nfs/dbraw/zinc/68/69/03/433686903.db2.gz IHVUOOHJFCIMFB-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000356770034 433686911 /nfs/dbraw/zinc/68/69/11/433686911.db2.gz IHVUOOHJFCIMFB-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000283207853 433690007 /nfs/dbraw/zinc/69/00/07/433690007.db2.gz LVEYVSNBRPTLCK-XOKHGSTOSA-N 2 1 309.885 3.015 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000366954752 293007881 /nfs/dbraw/zinc/00/78/81/293007881.db2.gz PWOCDHMJGOBZFI-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000367067703 293019796 /nfs/dbraw/zinc/01/97/96/293019796.db2.gz SSWZUBCACACAEJ-ZHALLVOQSA-N 2 1 304.478 3.443 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000367067703 293019797 /nfs/dbraw/zinc/01/97/97/293019797.db2.gz SSWZUBCACACAEJ-ZHALLVOQSA-N 2 1 304.478 3.443 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000367086257 293023607 /nfs/dbraw/zinc/02/36/07/293023607.db2.gz KHHXKAATUGDKDN-LZLYRXPVSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367243801 293043590 /nfs/dbraw/zinc/04/35/90/293043590.db2.gz MPOMGNVPRPQOCW-IEBWSBKVSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1ccncc1CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356525 293059500 /nfs/dbraw/zinc/05/95/00/293059500.db2.gz NSCKPTVSLARIJH-UHFFFAOYSA-N 2 1 301.478 3.130 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000368365957 293120028 /nfs/dbraw/zinc/12/00/28/293120028.db2.gz XCWZJAOLEZOKSG-SUMWQHHRSA-N 2 1 308.491 3.213 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000165017850 293153534 /nfs/dbraw/zinc/15/35/34/293153534.db2.gz CCJBBPUJZAWIOI-HLLBOEOZSA-N 2 1 308.491 3.146 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000165017850 293153538 /nfs/dbraw/zinc/15/35/38/293153538.db2.gz CCJBBPUJZAWIOI-HLLBOEOZSA-N 2 1 308.491 3.146 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000370518584 293175162 /nfs/dbraw/zinc/17/51/62/293175162.db2.gz LXJQTRKLVDHRSC-OALUTQOASA-N 2 1 300.446 3.181 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000370678609 293185333 /nfs/dbraw/zinc/18/53/33/293185333.db2.gz DCOGFQVSQRNBMC-QFBILLFUSA-N 3 1 318.509 3.214 20 0 DGADMP COc1cc(F)cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000449046741 433706481 /nfs/dbraw/zinc/70/64/81/433706481.db2.gz LZAQDLZPXAJGNU-CXAGYDPISA-N 2 1 303.381 3.114 20 0 DGADMP C[N@@H+](C[C@H]1CCSC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000373349809 293264396 /nfs/dbraw/zinc/26/43/96/293264396.db2.gz JOONEVYFZUZRCI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@H]1CCSC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373349809 293264397 /nfs/dbraw/zinc/26/43/97/293264397.db2.gz JOONEVYFZUZRCI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@H]1CCSC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373349809 293264399 /nfs/dbraw/zinc/26/43/99/293264399.db2.gz JOONEVYFZUZRCI-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CC(C)[NH+]1CCC(NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373905490 293330436 /nfs/dbraw/zinc/33/04/36/293330436.db2.gz QATWDUVHGBKJAL-LJQANCHMSA-N 2 1 307.526 3.246 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1 ZINC000374423799 293398763 /nfs/dbraw/zinc/39/87/63/293398763.db2.gz XVSWNWLASKCOHP-BRWVUGGUSA-N 2 1 308.853 3.024 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1 ZINC000374423799 293398766 /nfs/dbraw/zinc/39/87/66/293398766.db2.gz XVSWNWLASKCOHP-BRWVUGGUSA-N 2 1 308.853 3.024 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000449169522 433730172 /nfs/dbraw/zinc/73/01/72/433730172.db2.gz OSEFRAKQUIOVDO-GBESFXJTSA-N 2 1 316.489 3.038 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000449169522 433730175 /nfs/dbraw/zinc/73/01/75/433730175.db2.gz OSEFRAKQUIOVDO-GBESFXJTSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](C)CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000449228313 433736000 /nfs/dbraw/zinc/73/60/00/433736000.db2.gz XYTBCPVKYANUGC-SUNYJGFJSA-N 2 1 316.493 3.477 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)C1 ZINC000421823228 433748698 /nfs/dbraw/zinc/74/86/98/433748698.db2.gz YXQGSBZVCNRNKJ-KDOFPFPSSA-N 2 1 308.441 3.463 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)C1 ZINC000421823227 433750203 /nfs/dbraw/zinc/75/02/03/433750203.db2.gz YXQGSBZVCNRNKJ-KBXCAEBGSA-N 2 1 308.441 3.463 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000351855333 433753348 /nfs/dbraw/zinc/75/33/48/433753348.db2.gz SXXJNNYXAMDTEG-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000351855361 433753426 /nfs/dbraw/zinc/75/34/26/433753426.db2.gz SYXCVMIDJGICMM-QAPCUYQASA-N 2 1 323.440 3.108 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293490125 433755577 /nfs/dbraw/zinc/75/55/77/433755577.db2.gz GNARDGWSPDGMON-FQEVSTJZSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000356901470 433757751 /nfs/dbraw/zinc/75/77/51/433757751.db2.gz PPPGQTJZRICGJI-GVDBMIGSSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000356901470 433757763 /nfs/dbraw/zinc/75/77/63/433757763.db2.gz PPPGQTJZRICGJI-GVDBMIGSSA-N 2 1 322.518 3.365 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857017 433759661 /nfs/dbraw/zinc/75/96/61/433759661.db2.gz ANDJOCHPDVDLLX-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857017 433759663 /nfs/dbraw/zinc/75/96/63/433759663.db2.gz ANDJOCHPDVDLLX-GHMZBOCLSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000351865465 433761167 /nfs/dbraw/zinc/76/11/67/433761167.db2.gz NHKWFTQFKORWHJ-YLJYHZDGSA-N 2 1 324.468 3.462 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414659134 433773659 /nfs/dbraw/zinc/77/36/59/433773659.db2.gz SCZGVDKTZQHODA-FQEVSTJZSA-N 2 1 308.469 3.369 20 0 DGADMP CCN(CC)CC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414683528 433785996 /nfs/dbraw/zinc/78/59/96/433785996.db2.gz UBSBPORBOVCBKF-DLBZAZTESA-N 2 1 323.550 3.280 20 0 DGADMP CCN(CC)CC[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414683528 433786008 /nfs/dbraw/zinc/78/60/08/433786008.db2.gz UBSBPORBOVCBKF-DLBZAZTESA-N 2 1 323.550 3.280 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414678947 433789754 /nfs/dbraw/zinc/78/97/54/433789754.db2.gz YQDHJXNSMCXDNN-SHPPOPEUSA-N 2 1 312.379 3.478 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414682082 433789771 /nfs/dbraw/zinc/78/97/71/433789771.db2.gz XQERYVPZLPMQNX-OCCSQVGLSA-N 2 1 316.367 3.405 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)ccc1SC ZINC000414693400 433794706 /nfs/dbraw/zinc/79/47/06/433794706.db2.gz MRYVXMUEHIBYRQ-ZFWWWQNUSA-N 2 1 308.491 3.237 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000376672909 433796507 /nfs/dbraw/zinc/79/65/07/433796507.db2.gz POAYXQOSEQUWGF-UHFFFAOYSA-N 2 1 324.472 3.180 20 0 DGADMP CC[N@H+](Cc1cc(Cl)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000414711890 433804080 /nfs/dbraw/zinc/80/40/80/433804080.db2.gz IFIAWNUEWRYYOZ-INIZCTEOSA-N 2 1 308.853 3.239 20 0 DGADMP CC[N@@H+](Cc1cc(Cl)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000414711890 433804089 /nfs/dbraw/zinc/80/40/89/433804089.db2.gz IFIAWNUEWRYYOZ-INIZCTEOSA-N 2 1 308.853 3.239 20 0 DGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000376740333 433808147 /nfs/dbraw/zinc/80/81/47/433808147.db2.gz SYIYLWXZCUBGAI-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414719102 433809396 /nfs/dbraw/zinc/80/93/96/433809396.db2.gz UGPPCIKQKUHZHI-NVXWUHKLSA-N 2 1 322.468 3.477 20 0 DGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293635001 433812700 /nfs/dbraw/zinc/81/27/00/433812700.db2.gz HTCSOGJPEBHESA-KRWDZBQOSA-N 2 1 315.417 3.109 20 0 DGADMP c1sc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1-c1ccccc1 ZINC000414772865 433825361 /nfs/dbraw/zinc/82/53/61/433825361.db2.gz VPBGKKXTODENCD-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc(C)c1OC(F)F ZINC000414748428 433817815 /nfs/dbraw/zinc/81/78/15/433817815.db2.gz INIBYDDDMYBHLS-HNNXBMFYSA-N 2 1 312.404 3.479 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]cn3)c2C1 ZINC000284021052 433820513 /nfs/dbraw/zinc/82/05/13/433820513.db2.gz OPXMOMYVHKNWRW-VOTSOKGWSA-N 2 1 324.428 3.423 20 0 DGADMP CC(C)CCN1Cc2cccc(NC(=O)C=Cc3c[nH]cn3)c2C1 ZINC000284021052 433820527 /nfs/dbraw/zinc/82/05/27/433820527.db2.gz OPXMOMYVHKNWRW-VOTSOKGWSA-N 2 1 324.428 3.423 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]1 ZINC000414758670 433822001 /nfs/dbraw/zinc/82/20/01/433822001.db2.gz VINGFAYOOSFVEF-RYRKJORJSA-N 2 1 320.452 3.195 20 0 DGADMP Cc1cc[nH+]c(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000343626796 433822406 /nfs/dbraw/zinc/82/24/06/433822406.db2.gz LOFXDCYVVUTWKB-FQEVSTJZSA-N 2 1 307.441 3.492 20 0 DGADMP Cc1cc[nH+]c(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000343626796 433822413 /nfs/dbraw/zinc/82/24/13/433822413.db2.gz LOFXDCYVVUTWKB-FQEVSTJZSA-N 2 1 307.441 3.492 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414840185 433874037 /nfs/dbraw/zinc/87/40/37/433874037.db2.gz YDGDZRHJYHFUKU-MRXNPFEDSA-N 2 1 310.441 3.451 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414777768 433828347 /nfs/dbraw/zinc/82/83/47/433828347.db2.gz YJJVDDPXKRRTFN-IVMMDQJWSA-N 2 1 312.379 3.493 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432447820 433828445 /nfs/dbraw/zinc/82/84/45/433828445.db2.gz QRTOAZYEGUYQSH-XLIONFOSSA-N 2 1 316.489 3.463 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414779882 433828775 /nfs/dbraw/zinc/82/87/75/433828775.db2.gz KVAHPWLDHRHUOW-GJZGRUSLSA-N 2 1 308.853 3.170 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414776768 433830852 /nfs/dbraw/zinc/83/08/52/433830852.db2.gz HRLRXBHWLGATBY-ILXRZTDVSA-N 2 1 319.518 3.089 20 0 DGADMP C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1(C[NH3+])CCC1 ZINC000414776827 433831687 /nfs/dbraw/zinc/83/16/87/433831687.db2.gz DKSGITFQOAROIG-UHFFFAOYSA-N 2 1 320.440 3.339 20 0 DGADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1(C[NH3+])CCC1 ZINC000414776827 433831695 /nfs/dbraw/zinc/83/16/95/433831695.db2.gz DKSGITFQOAROIG-UHFFFAOYSA-N 2 1 320.440 3.339 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C1CC1 ZINC000414794916 433840051 /nfs/dbraw/zinc/84/00/51/433840051.db2.gz GFFWZNNCOWZEBB-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2O1 ZINC000414789720 433840379 /nfs/dbraw/zinc/84/03/79/433840379.db2.gz YOCBWUVJLMNART-IRXDYDNUSA-N 2 1 314.473 3.222 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414799668 433843853 /nfs/dbraw/zinc/84/38/53/433843853.db2.gz KHGWDMUDMZEPPB-ZBFHGGJFSA-N 2 1 301.459 3.417 20 0 DGADMP CC(C)([NH3+])C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414797442 433845977 /nfs/dbraw/zinc/84/59/77/433845977.db2.gz DEDBTMHGWYWSHR-UHFFFAOYSA-N 2 1 302.393 3.232 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000414813355 433851966 /nfs/dbraw/zinc/85/19/66/433851966.db2.gz MJISSIWKXHKMAP-HOCLYGCPSA-N 2 1 305.466 3.128 20 0 DGADMP CCCC[C@@H](C[NH3+])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414809814 433852474 /nfs/dbraw/zinc/85/24/74/433852474.db2.gz HAPKVFCDZWKCHW-SFHVURJKSA-N 2 1 323.912 3.412 20 0 DGADMP c1csc(-c2cnc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000357065283 433854296 /nfs/dbraw/zinc/85/42/96/433854296.db2.gz ACTGBTOXTUKCBY-AWEZNQCLSA-N 2 1 317.458 3.225 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414810673 433855163 /nfs/dbraw/zinc/85/51/63/433855163.db2.gz VPKFYSDTKBWUFT-YPMHNXCESA-N 2 1 307.488 3.479 20 0 DGADMP COc1ncc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000284249458 433867315 /nfs/dbraw/zinc/86/73/15/433867315.db2.gz IJJLEMQUPMASAD-VXGBXAGGSA-N 2 1 322.840 3.235 20 0 DGADMP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414832890 433869337 /nfs/dbraw/zinc/86/93/37/433869337.db2.gz FDZNRLWPXIVNMI-NZSAHSFTSA-N 2 1 303.494 3.003 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000344493368 433871371 /nfs/dbraw/zinc/87/13/71/433871371.db2.gz FPYDTDYFMBQTQK-FGTMMUONSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000344493368 433871378 /nfs/dbraw/zinc/87/13/78/433871378.db2.gz FPYDTDYFMBQTQK-FGTMMUONSA-N 2 1 322.880 3.332 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414838998 433871747 /nfs/dbraw/zinc/87/17/47/433871747.db2.gz LGAFKLRVKNDCEU-CVEARBPZSA-N 2 1 319.493 3.490 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CCC1 ZINC000414872131 433897057 /nfs/dbraw/zinc/89/70/57/433897057.db2.gz FIBNSVDDIGKZND-UHFFFAOYSA-N 2 1 314.404 3.376 20 0 DGADMP Cc1ccc(COc2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)cc2)cc1 ZINC000414890396 433904345 /nfs/dbraw/zinc/90/43/45/433904345.db2.gz MQNRPMXMDNWRRP-HXUWFJFHSA-N 2 1 310.441 3.401 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905036 433910209 /nfs/dbraw/zinc/91/02/09/433910209.db2.gz LAOWRPWJBZIAJG-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414905036 433910215 /nfs/dbraw/zinc/91/02/15/433910215.db2.gz LAOWRPWJBZIAJG-YZGWKJHDSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414905036 433910223 /nfs/dbraw/zinc/91/02/23/433910223.db2.gz LAOWRPWJBZIAJG-YZGWKJHDSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905036 433910230 /nfs/dbraw/zinc/91/02/30/433910230.db2.gz LAOWRPWJBZIAJG-YZGWKJHDSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357226445 433915823 /nfs/dbraw/zinc/91/58/23/433915823.db2.gz CLHVSQYSWGDFSQ-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227303 433916568 /nfs/dbraw/zinc/91/65/68/433916568.db2.gz DGEJYQUUFCJETF-QRQLOZEOSA-N 2 1 304.478 3.038 20 0 DGADMP CCOCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC ZINC000422559182 433917891 /nfs/dbraw/zinc/91/78/91/433917891.db2.gz CPEQZHZVGPHHAX-MPGHIAIKSA-N 2 1 320.477 3.037 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000303099622 433919127 /nfs/dbraw/zinc/91/91/27/433919127.db2.gz IQJNNFVMBIWLAZ-OALUTQOASA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436268914 433920319 /nfs/dbraw/zinc/92/03/19/433920319.db2.gz ILLNSQLWEFZREA-UHFFFAOYSA-N 2 1 304.463 3.101 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)sc2C1 ZINC000422561471 433920547 /nfs/dbraw/zinc/92/05/47/433920547.db2.gz LIUINVUEQATZRW-RQJABVFESA-N 2 1 307.507 3.073 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)sc2C1 ZINC000422561471 433920557 /nfs/dbraw/zinc/92/05/57/433920557.db2.gz LIUINVUEQATZRW-RQJABVFESA-N 2 1 307.507 3.073 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414933024 433921322 /nfs/dbraw/zinc/92/13/22/433921322.db2.gz RPPRLHQWRHCYQV-LALPHHSUSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000422562419 433921972 /nfs/dbraw/zinc/92/19/72/433921972.db2.gz PZOATLOGYFWRGR-NFAWXSAZSA-N 2 1 312.404 3.136 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2c1 ZINC000422564078 433923958 /nfs/dbraw/zinc/92/39/58/433923958.db2.gz VBFFIDMYHMKFMR-YDHLFZDLSA-N 2 1 302.418 3.247 20 0 DGADMP CC(C)(C)c1cccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422626270 433929274 /nfs/dbraw/zinc/92/92/74/433929274.db2.gz DPIRCTVIIDGGFM-UHFFFAOYSA-N 2 1 302.462 3.191 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[NH2+]1 ZINC000414945976 433929435 /nfs/dbraw/zinc/92/94/35/433929435.db2.gz JAYIWVJVQQVUPW-MLGOLLRUSA-N 2 1 308.853 3.359 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414948754 433929526 /nfs/dbraw/zinc/92/95/26/433929526.db2.gz YZSVMQNBPRBEBE-UHFFFAOYSA-N 2 1 318.852 3.066 20 0 DGADMP CCc1nc(NCc2ccccc2C[NH+](CC)CC)cc(C)[nH+]1 ZINC000339975311 433880539 /nfs/dbraw/zinc/88/05/39/433880539.db2.gz KBRNDAZHBHXCAT-UHFFFAOYSA-N 2 1 312.461 3.801 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414852780 433883510 /nfs/dbraw/zinc/88/35/10/433883510.db2.gz RQEHCAHVGVRBGM-MAUKXSAKSA-N 2 1 317.477 3.209 20 0 DGADMP C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414857375 433885238 /nfs/dbraw/zinc/88/52/38/433885238.db2.gz PIJOQTGPYPNCLN-HIFRSBDPSA-N 2 1 318.852 3.003 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422710670 433945059 /nfs/dbraw/zinc/94/50/59/433945059.db2.gz FJDJDYZLPJSYIL-ZWKOTPCHSA-N 2 1 317.477 3.421 20 0 DGADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162135 433948185 /nfs/dbraw/zinc/94/81/85/433948185.db2.gz DULBOJIMXVPUKH-RBUKOAKNSA-N 2 1 303.494 3.143 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340173352 433959031 /nfs/dbraw/zinc/95/90/31/433959031.db2.gz GISRZIBWINQSLY-OALUTQOASA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340173352 433959054 /nfs/dbraw/zinc/95/90/54/433959054.db2.gz GISRZIBWINQSLY-OALUTQOASA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340173352 433959058 /nfs/dbraw/zinc/95/90/58/433959058.db2.gz GISRZIBWINQSLY-OALUTQOASA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422739492 433959871 /nfs/dbraw/zinc/95/98/71/433959871.db2.gz LMDWTHZYMQZJNW-MISYRCLQSA-N 2 1 315.505 3.190 20 0 DGADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340180927 433966498 /nfs/dbraw/zinc/96/64/98/433966498.db2.gz HTNZNZFXSZQYHB-QUCCMNQESA-N 2 1 313.489 3.038 20 0 DGADMP CC[C@H](N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422745400 433970412 /nfs/dbraw/zinc/97/04/12/433970412.db2.gz UZYPHAVLLWCGEM-RSPOEFSDSA-N 2 1 315.505 3.332 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415066715 433974647 /nfs/dbraw/zinc/97/46/47/433974647.db2.gz ANWKBBUHNUUIDC-PXNSSMCTSA-N 3 1 315.505 3.293 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000415066715 433974652 /nfs/dbraw/zinc/97/46/52/433974652.db2.gz ANWKBBUHNUUIDC-PXNSSMCTSA-N 2 1 315.505 3.293 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000415066715 433974658 /nfs/dbraw/zinc/97/46/58/433974658.db2.gz ANWKBBUHNUUIDC-PXNSSMCTSA-N 2 1 315.505 3.293 20 0 DGADMP COCCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285512742 433976699 /nfs/dbraw/zinc/97/66/99/433976699.db2.gz JXPSIUXRAFYCKB-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285512742 433976708 /nfs/dbraw/zinc/97/67/08/433976708.db2.gz JXPSIUXRAFYCKB-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP COCCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285512742 433976715 /nfs/dbraw/zinc/97/67/15/433976715.db2.gz JXPSIUXRAFYCKB-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000415130123 433978803 /nfs/dbraw/zinc/97/88/03/433978803.db2.gz QLLRDNYVAHTQJM-WMZOPIPTSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000415130123 433978812 /nfs/dbraw/zinc/97/88/12/433978812.db2.gz QLLRDNYVAHTQJM-WMZOPIPTSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422759671 433980335 /nfs/dbraw/zinc/98/03/35/433980335.db2.gz FYDYTDNBFBKMFA-MISYRCLQSA-N 2 1 315.505 3.334 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(C)COC1 ZINC000285532553 433982930 /nfs/dbraw/zinc/98/29/30/433982930.db2.gz SKWDCUOXJIEMTE-INIZCTEOSA-N 2 1 302.462 3.187 20 0 DGADMP COCc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1F ZINC000422763892 433982910 /nfs/dbraw/zinc/98/29/10/433982910.db2.gz OAIFXCJDYBJVMN-KUHUBIRLSA-N 2 1 316.420 3.020 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000340214884 433988656 /nfs/dbraw/zinc/98/86/56/433988656.db2.gz ZDZCSEQOUSXCBA-INDMIFKZSA-N 2 1 310.526 3.370 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Br)c1 ZINC000414958371 433939829 /nfs/dbraw/zinc/93/98/29/433939829.db2.gz RXLYCAVDQMPMRM-LALPHHSUSA-N 2 1 311.267 3.283 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000422792848 434003523 /nfs/dbraw/zinc/00/35/23/434003523.db2.gz ZRDSRAKOLSMICL-SPOLIRPYSA-N 2 1 314.473 3.273 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000304450906 434010052 /nfs/dbraw/zinc/01/00/52/434010052.db2.gz VSADPSYNHZLSHB-IBGZPJMESA-N 2 1 314.477 3.019 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCc3ccccc32)s1 ZINC000352257355 434012011 /nfs/dbraw/zinc/01/20/11/434012011.db2.gz SLFKMTZUZAPKQQ-HNNXBMFYSA-N 2 1 315.486 3.414 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)C[C@@H]1c1ccccc1 ZINC000340253068 434017416 /nfs/dbraw/zinc/01/74/16/434017416.db2.gz MICLEAIXOWBLLR-GBESFXJTSA-N 2 1 324.472 3.186 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)C[C@@H]1c1ccccc1 ZINC000340253068 434017425 /nfs/dbraw/zinc/01/74/25/434017425.db2.gz MICLEAIXOWBLLR-GBESFXJTSA-N 2 1 324.472 3.186 20 0 DGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1SC ZINC000285619938 434019080 /nfs/dbraw/zinc/01/90/80/434019080.db2.gz WKLICRHEYSBWDQ-XYPWUTKMSA-N 2 1 320.502 3.474 20 0 DGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1SC ZINC000285619938 434019089 /nfs/dbraw/zinc/01/90/89/434019089.db2.gz WKLICRHEYSBWDQ-XYPWUTKMSA-N 2 1 320.502 3.474 20 0 DGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1SC ZINC000285619938 434019100 /nfs/dbraw/zinc/01/91/00/434019100.db2.gz WKLICRHEYSBWDQ-XYPWUTKMSA-N 2 1 320.502 3.474 20 0 DGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1SC ZINC000285619938 434019109 /nfs/dbraw/zinc/01/91/09/434019109.db2.gz WKLICRHEYSBWDQ-XYPWUTKMSA-N 2 1 320.502 3.474 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340257235 434021052 /nfs/dbraw/zinc/02/10/52/434021052.db2.gz TXTYTJSYVGLGPE-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340257235 434021061 /nfs/dbraw/zinc/02/10/61/434021061.db2.gz TXTYTJSYVGLGPE-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340257235 434021071 /nfs/dbraw/zinc/02/10/71/434021071.db2.gz TXTYTJSYVGLGPE-MOPGFXCFSA-N 2 1 303.494 3.143 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340272039 434027638 /nfs/dbraw/zinc/02/76/38/434027638.db2.gz HDSSTCYMKCEAHB-PMACEKPBSA-N 2 1 315.505 3.284 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000377882224 434028610 /nfs/dbraw/zinc/02/86/10/434028610.db2.gz DKVLSYSOVUDTKF-GOSISDBHSA-N 2 1 318.509 3.074 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422832003 434035968 /nfs/dbraw/zinc/03/59/68/434035968.db2.gz UFPPWOOTFJRUHR-JKSUJKDBSA-N 2 1 306.450 3.234 20 0 DGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000340283685 434040688 /nfs/dbraw/zinc/04/06/88/434040688.db2.gz OGWWRASVHXCGKC-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000340283685 434040696 /nfs/dbraw/zinc/04/06/96/434040696.db2.gz OGWWRASVHXCGKC-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000305105147 434040987 /nfs/dbraw/zinc/04/09/87/434040987.db2.gz BDKQTCRGLSCSQC-AYBZRNKSSA-N 2 1 320.477 3.120 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836623 434041889 /nfs/dbraw/zinc/04/18/89/434041889.db2.gz KOFXDMZOWLYCDJ-LFGUQSLTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1Cc1ccccc1 ZINC000422836623 434041898 /nfs/dbraw/zinc/04/18/98/434041898.db2.gz KOFXDMZOWLYCDJ-LFGUQSLTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000422841070 434045003 /nfs/dbraw/zinc/04/50/03/434045003.db2.gz VCPNXGYIOSIOTN-KTLDDFEXSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000422841070 434045015 /nfs/dbraw/zinc/04/50/15/434045015.db2.gz VCPNXGYIOSIOTN-KTLDDFEXSA-N 3 1 315.505 3.147 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422780011 433994299 /nfs/dbraw/zinc/99/42/99/433994299.db2.gz GNPPZGBPBYPPSF-RTBURBONSA-N 3 1 303.494 3.278 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340228333 433994643 /nfs/dbraw/zinc/99/46/43/433994643.db2.gz AZVZFLKGLJIGTF-ACRUOGEOSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340228333 433994658 /nfs/dbraw/zinc/99/46/58/433994658.db2.gz AZVZFLKGLJIGTF-ACRUOGEOSA-N 2 1 324.468 3.015 20 0 DGADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000422787774 433999057 /nfs/dbraw/zinc/99/90/57/433999057.db2.gz QIZYAUOQKGOZEX-BZNIZROVSA-N 2 1 305.809 3.186 20 0 DGADMP CC[C@@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000357415041 434000915 /nfs/dbraw/zinc/00/09/15/434000915.db2.gz HMGBNQNGOFBPHN-IEBWSBKVSA-N 2 1 303.494 3.001 20 0 DGADMP C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422784093 434001201 /nfs/dbraw/zinc/00/12/01/434001201.db2.gz LVBHLESAXQPGFV-CJNGLKHVSA-N 2 1 301.459 3.083 20 0 DGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422862106 434062151 /nfs/dbraw/zinc/06/21/51/434062151.db2.gz JUZAOCVJBHEUHE-ZWKOTPCHSA-N 2 1 320.477 3.160 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422866192 434065545 /nfs/dbraw/zinc/06/55/45/434065545.db2.gz QALRBEZCWMEWCY-LSDHHAIUSA-N 3 1 300.450 3.349 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3C[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422867206 434066086 /nfs/dbraw/zinc/06/60/86/434066086.db2.gz RVIIIIWRRSWPPY-FUHIMQAGSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000450267650 434066758 /nfs/dbraw/zinc/06/67/58/434066758.db2.gz BNQAELXYADJVNF-FXAWDEMLSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422869748 434067671 /nfs/dbraw/zinc/06/76/71/434067671.db2.gz XWTYLLAUCIPSFH-ULQDDVLXSA-N 3 1 303.494 3.276 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422874418 434071041 /nfs/dbraw/zinc/07/10/41/434071041.db2.gz CUPXXPMDCZGRHP-IAGOWNOFSA-N 3 1 303.494 3.278 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000363489859 434071262 /nfs/dbraw/zinc/07/12/62/434071262.db2.gz PAZWSMJWLJDQJM-UHFFFAOYSA-N 2 1 317.458 3.238 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881064 434077201 /nfs/dbraw/zinc/07/72/01/434077201.db2.gz NHFMRTORVVGLFS-QGWWYQLQSA-N 2 1 301.478 3.089 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422884842 434081199 /nfs/dbraw/zinc/08/11/99/434081199.db2.gz FTUPMIGLQXZUJF-QWHCGFSZSA-N 2 1 303.381 3.228 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422885506 434082538 /nfs/dbraw/zinc/08/25/38/434082538.db2.gz GVYDDJSLFDMFEA-HLNWXESRSA-N 3 1 317.521 3.250 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422885506 434082543 /nfs/dbraw/zinc/08/25/43/434082543.db2.gz GVYDDJSLFDMFEA-HLNWXESRSA-N 2 1 317.521 3.250 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886541 434083359 /nfs/dbraw/zinc/08/33/59/434083359.db2.gz WWCHUCZFSMJBIC-YHDCXSKOSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890742 434086813 /nfs/dbraw/zinc/08/68/13/434086813.db2.gz JCVZOKQXAWHXCL-KSZLIROESA-N 3 1 317.521 3.382 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000378139559 434092953 /nfs/dbraw/zinc/09/29/53/434092953.db2.gz LEMLPKDAXXQFHM-YSIASYRMSA-N 2 1 319.537 3.079 20 0 DGADMP C[C@@H]([NH2+]CCC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783498 434096804 /nfs/dbraw/zinc/09/68/04/434096804.db2.gz LWJPECHEGPTPON-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340379537 434098175 /nfs/dbraw/zinc/09/81/75/434098175.db2.gz WCVZGNLTHBHUGW-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340379537 434098179 /nfs/dbraw/zinc/09/81/79/434098179.db2.gz WCVZGNLTHBHUGW-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422842438 434048242 /nfs/dbraw/zinc/04/82/42/434048242.db2.gz FWIOCYLJJCBGOL-RYQLBKOJSA-N 2 1 321.896 3.194 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422852156 434052327 /nfs/dbraw/zinc/05/23/27/434052327.db2.gz ADVIVDBZMJHSGB-AYOQOUSVSA-N 2 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422852156 434052336 /nfs/dbraw/zinc/05/23/36/434052336.db2.gz ADVIVDBZMJHSGB-AYOQOUSVSA-N 3 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422852156 434052344 /nfs/dbraw/zinc/05/23/44/434052344.db2.gz ADVIVDBZMJHSGB-AYOQOUSVSA-N 3 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422855439 434054638 /nfs/dbraw/zinc/05/46/38/434054638.db2.gz DXKIEGQOXNFICR-LSTHTHJFSA-N 3 1 315.505 3.136 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422857444 434054807 /nfs/dbraw/zinc/05/48/07/434054807.db2.gz HPYXVUVSKPURJG-PMACEKPBSA-N 2 1 310.441 3.373 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422907227 434103144 /nfs/dbraw/zinc/10/31/44/434103144.db2.gz LDISJMKUSAFPLE-GJZGRUSLSA-N 2 1 304.482 3.045 20 0 DGADMP COC(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353393924 434103011 /nfs/dbraw/zinc/10/30/11/434103011.db2.gz KWRYTSFLPJCKHM-UHFFFAOYSA-N 2 1 304.478 3.444 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422914568 434108011 /nfs/dbraw/zinc/10/80/11/434108011.db2.gz UTSAQTXUDYVXLM-MOPGFXCFSA-N 2 1 309.457 3.336 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1sccc1Br ZINC000310229156 434110179 /nfs/dbraw/zinc/11/01/79/434110179.db2.gz PKHDBDQAWWPLSR-VIFPVBQESA-N 2 1 314.252 3.366 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Br)[C@H]1CCC[NH2+]1 ZINC000422928051 434111820 /nfs/dbraw/zinc/11/18/20/434111820.db2.gz IQDLCSNOIQAZOL-YWPYICTPSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](CCc1ccsc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414768 533693809 /nfs/dbraw/zinc/69/38/09/533693809.db2.gz LVKYMERTIZXQBR-JKSUJKDBSA-N 2 1 310.507 3.160 20 0 DGADMP Fc1ccc(OCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422934859 434117228 /nfs/dbraw/zinc/11/72/28/434117228.db2.gz GMVMUFYJDKUTSY-PKOBYXMFSA-N 2 1 314.404 3.287 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000422930633 434117251 /nfs/dbraw/zinc/11/72/51/434117251.db2.gz VHSPPFVIWJEBBH-MEDUHNTESA-N 2 1 317.820 3.286 20 0 DGADMP CC(C)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309945888 434101567 /nfs/dbraw/zinc/10/15/67/434101567.db2.gz DHDXDQCBVZUKOK-VQTJNVASSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309945888 434101577 /nfs/dbraw/zinc/10/15/77/434101577.db2.gz DHDXDQCBVZUKOK-VQTJNVASSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309945888 434101590 /nfs/dbraw/zinc/10/15/90/434101590.db2.gz DHDXDQCBVZUKOK-VQTJNVASSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309945886 434101857 /nfs/dbraw/zinc/10/18/57/434101857.db2.gz DHDXDQCBVZUKOK-PMACEKPBSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309945886 434101867 /nfs/dbraw/zinc/10/18/67/434101867.db2.gz DHDXDQCBVZUKOK-PMACEKPBSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309945886 434101875 /nfs/dbraw/zinc/10/18/75/434101875.db2.gz DHDXDQCBVZUKOK-PMACEKPBSA-N 2 1 316.489 3.113 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000498596392 294065589 /nfs/dbraw/zinc/06/55/89/294065589.db2.gz PMBPPYDRIFEVBK-INDMIFKZSA-N 2 1 308.510 3.458 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503403159 294193004 /nfs/dbraw/zinc/19/30/04/294193004.db2.gz CHWAMEVUZZIPLP-UHFFFAOYSA-N 2 1 315.505 3.245 20 0 DGADMP COc1ccccc1CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000505615436 294245391 /nfs/dbraw/zinc/24/53/91/294245391.db2.gz XUZDXYWRDHQCLU-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccccc1CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000505615436 294245395 /nfs/dbraw/zinc/24/53/95/294245395.db2.gz XUZDXYWRDHQCLU-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccccc1CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000505615436 294245398 /nfs/dbraw/zinc/24/53/98/294245398.db2.gz XUZDXYWRDHQCLU-GOSISDBHSA-N 2 1 304.478 3.434 20 0 DGADMP Cc1cnccc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000294717958 434130023 /nfs/dbraw/zinc/13/00/23/434130023.db2.gz FYCAESBMACCUAW-ZWKOTPCHSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000294717958 434130032 /nfs/dbraw/zinc/13/00/32/434130032.db2.gz FYCAESBMACCUAW-ZWKOTPCHSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000294717958 434130038 /nfs/dbraw/zinc/13/00/38/434130038.db2.gz FYCAESBMACCUAW-ZWKOTPCHSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000294717958 434130046 /nfs/dbraw/zinc/13/00/46/434130046.db2.gz FYCAESBMACCUAW-ZWKOTPCHSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000294717958 434130053 /nfs/dbraw/zinc/13/00/53/434130053.db2.gz FYCAESBMACCUAW-ZWKOTPCHSA-N 2 1 301.478 3.476 20 0 DGADMP C[C@@H]([NH2+]CCc1cccc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000313702758 434133939 /nfs/dbraw/zinc/13/39/39/434133939.db2.gz RLQJUPMFOXEXOZ-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)(O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378302033 434134630 /nfs/dbraw/zinc/13/46/30/434134630.db2.gz SQQFXRLVUDRZMA-UHFFFAOYSA-N 2 1 316.489 3.136 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1ccccc1 ZINC000346130408 434136711 /nfs/dbraw/zinc/13/67/11/434136711.db2.gz IFRZCBHNGYSNIH-UHFFFAOYSA-N 2 1 306.413 3.250 20 0 DGADMP CC(=O)c1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000450371563 434136733 /nfs/dbraw/zinc/13/67/33/434136733.db2.gz INTVROGTSVCYPS-UHFFFAOYSA-N 2 1 311.429 3.077 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000353443727 434139079 /nfs/dbraw/zinc/13/90/79/434139079.db2.gz STEWHPIVTLIKSK-JYJNAYRXSA-N 2 1 318.461 3.290 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000286027990 434141968 /nfs/dbraw/zinc/14/19/68/434141968.db2.gz KARPSOSIOJVYAU-DLBZAZTESA-N 2 1 321.371 3.059 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)c2)cn1 ZINC000422968799 434144364 /nfs/dbraw/zinc/14/43/64/434144364.db2.gz XTGWVYZLIMMAOL-UXHICEINSA-N 2 1 318.424 3.322 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422974477 434147075 /nfs/dbraw/zinc/14/70/75/434147075.db2.gz RCWLTHDXEYZALQ-QAPCUYQASA-N 2 1 317.477 3.271 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CC=CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422972468 434148149 /nfs/dbraw/zinc/14/81/49/434148149.db2.gz LSUTXWRJYONZGV-SNRMKQJTSA-N 2 1 300.446 3.434 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000450410257 434156928 /nfs/dbraw/zinc/15/69/28/434156928.db2.gz LRPGKOUMHDVTNP-SOAGJPPSSA-N 2 1 321.553 3.446 20 0 DGADMP C[C@@H](CCc1ccsc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414768 533693816 /nfs/dbraw/zinc/69/38/16/533693816.db2.gz LVKYMERTIZXQBR-JKSUJKDBSA-N 2 1 310.507 3.160 20 0 DGADMP CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000423010112 434163570 /nfs/dbraw/zinc/16/35/70/434163570.db2.gz WZPCQTCMSQIAMV-GUYCJALGSA-N 2 1 317.433 3.042 20 0 DGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000423003109 434164233 /nfs/dbraw/zinc/16/42/33/434164233.db2.gz GZEUETMTUGSENN-FHWLQOOXSA-N 2 1 324.472 3.152 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353494145 434172894 /nfs/dbraw/zinc/17/28/94/434172894.db2.gz YERODYNZVPVZOY-GVDBMIGSSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353494145 434172903 /nfs/dbraw/zinc/17/29/03/434172903.db2.gz YERODYNZVPVZOY-GVDBMIGSSA-N 2 1 306.498 3.156 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000353495145 434173172 /nfs/dbraw/zinc/17/31/72/434173172.db2.gz MYNGQRLMESRCFI-YOEHRIQHSA-N 2 1 318.440 3.348 20 0 DGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000346175324 434174837 /nfs/dbraw/zinc/17/48/37/434174837.db2.gz QWHJAGPHVGGDNY-HXUWFJFHSA-N 2 1 318.424 3.393 20 0 DGADMP COCCC(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423030685 434176242 /nfs/dbraw/zinc/17/62/42/434176242.db2.gz CGQJHFLLPPGLKW-QZTJIDSGSA-N 2 1 320.477 3.141 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000423034384 434177949 /nfs/dbraw/zinc/17/79/49/434177949.db2.gz PRYDBQKZPGBFRL-YDZRNGNQSA-N 3 1 307.526 3.151 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450439804 434180382 /nfs/dbraw/zinc/18/03/82/434180382.db2.gz OLABCSRMWUDKGG-WOJBJXKFSA-N 2 1 316.489 3.052 20 0 DGADMP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000353500207 434180526 /nfs/dbraw/zinc/18/05/26/434180526.db2.gz HVBQEPRWJPLDKZ-YJBOKZPZSA-N 2 1 317.477 3.375 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)[C@@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340526398 434183767 /nfs/dbraw/zinc/18/37/67/434183767.db2.gz NSWQBBGARPYLQD-ZIFCJYIRSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286161848 434184413 /nfs/dbraw/zinc/18/44/13/434184413.db2.gz PXESJRRTQHWKSE-SOAGJPPSSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCO1 ZINC000423037694 434184854 /nfs/dbraw/zinc/18/48/54/434184854.db2.gz WQNZBBRSDBGBRM-PSBWJHGTSA-N 2 1 302.462 3.275 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C2CC2)c1 ZINC000513487438 294474422 /nfs/dbraw/zinc/47/44/22/294474422.db2.gz DTOZIKFHCAZGBQ-IBGZPJMESA-N 2 1 316.489 3.480 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(C)c1 ZINC000353512011 434190051 /nfs/dbraw/zinc/19/00/51/434190051.db2.gz CHOZWBPFMBVMEN-RBUKOAKNSA-N 2 1 304.478 3.129 20 0 DGADMP CCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450452570 434194707 /nfs/dbraw/zinc/19/47/07/434194707.db2.gz KBYWNFKTBGMYAT-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450452570 434194719 /nfs/dbraw/zinc/19/47/19/434194719.db2.gz KBYWNFKTBGMYAT-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP CCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450452570 434194729 /nfs/dbraw/zinc/19/47/29/434194729.db2.gz KBYWNFKTBGMYAT-PMACEKPBSA-N 2 1 316.489 3.136 20 0 DGADMP C[C@@H]([NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423061057 434198549 /nfs/dbraw/zinc/19/85/49/434198549.db2.gz PXNVNNZGYLISHU-DOMZBBRYSA-N 2 1 312.379 3.467 20 0 DGADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423072295 434201345 /nfs/dbraw/zinc/20/13/45/434201345.db2.gz IZRKIQSQDVFYIZ-AQNXPRMDSA-N 2 1 314.473 3.201 20 0 DGADMP c1cc2c(nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCCC2 ZINC000423072406 434203473 /nfs/dbraw/zinc/20/34/73/434203473.db2.gz HEWKKKNLXFXFRU-MISYRCLQSA-N 2 1 313.489 3.361 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C(F)(F)F ZINC000319196645 434221015 /nfs/dbraw/zinc/22/10/15/434221015.db2.gz CVJJMPMHTQVCEE-BETUJISGSA-N 2 1 316.342 3.276 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccn2)[C@@H](C)C1 ZINC000286270842 434215508 /nfs/dbraw/zinc/21/55/08/434215508.db2.gz VIWPDVHHOKDDQI-KSZLIROESA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccn2)[C@@H](C)C1 ZINC000286270842 434215519 /nfs/dbraw/zinc/21/55/19/434215519.db2.gz VIWPDVHHOKDDQI-KSZLIROESA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccn2)[C@@H](C)C1 ZINC000286270824 434217199 /nfs/dbraw/zinc/21/71/99/434217199.db2.gz VIWPDVHHOKDDQI-BZSNNMDCSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccn2)[C@@H](C)C1 ZINC000286270824 434217209 /nfs/dbraw/zinc/21/72/09/434217209.db2.gz VIWPDVHHOKDDQI-BZSNNMDCSA-N 2 1 319.493 3.178 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423101847 434217738 /nfs/dbraw/zinc/21/77/38/434217738.db2.gz DHKHMFOTVIJZJL-CMPLNLGQSA-N 2 1 315.230 3.381 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2cccnc12 ZINC000346231691 434219340 /nfs/dbraw/zinc/21/93/40/434219340.db2.gz YCFPQOCDORLLQB-QGZVFWFLSA-N 2 1 309.457 3.461 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000353573025 434239765 /nfs/dbraw/zinc/23/97/65/434239765.db2.gz GWSRAOGJGAPHPS-QWFCFKBJSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353573025 434239772 /nfs/dbraw/zinc/23/97/72/434239772.db2.gz GWSRAOGJGAPHPS-QWFCFKBJSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353573025 434239778 /nfs/dbraw/zinc/23/97/78/434239778.db2.gz GWSRAOGJGAPHPS-QWFCFKBJSA-N 2 1 317.521 3.358 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423126936 434239866 /nfs/dbraw/zinc/23/98/66/434239866.db2.gz BGXHVJSRLIJXFU-CHWSQXEVSA-N 2 1 302.340 3.177 20 0 DGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000353577926 434241794 /nfs/dbraw/zinc/24/17/94/434241794.db2.gz TXIFODFLAIRDLY-UHFFFAOYSA-N 2 1 314.832 3.022 20 0 DGADMP CSc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423142681 434242460 /nfs/dbraw/zinc/24/24/60/434242460.db2.gz BDYCGTSRVILGQB-NXHRZFHOSA-N 2 1 321.534 3.118 20 0 DGADMP CSc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423142682 434243048 /nfs/dbraw/zinc/24/30/48/434243048.db2.gz BDYCGTSRVILGQB-SZMVWBNQSA-N 2 1 321.534 3.118 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000320534149 434243152 /nfs/dbraw/zinc/24/31/52/434243152.db2.gz OBONHGQGWZSUIQ-UKRRQHHQSA-N 2 1 322.415 3.341 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@@H]1C ZINC000321029108 434245208 /nfs/dbraw/zinc/24/52/08/434245208.db2.gz CNVRYFFMIBILGG-NBYUQASBSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@@H]1C ZINC000321029108 434245210 /nfs/dbraw/zinc/24/52/10/434245210.db2.gz CNVRYFFMIBILGG-NBYUQASBSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1c[nH+]ccc1N ZINC000423156328 434253916 /nfs/dbraw/zinc/25/39/16/434253916.db2.gz SCHSKSGUPGIEAC-SNVBAGLBSA-N 2 1 309.772 3.016 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000423153961 434254016 /nfs/dbraw/zinc/25/40/16/434254016.db2.gz OICHQKSRXXFIQL-INIZCTEOSA-N 2 1 314.477 3.314 20 0 DGADMP Cc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1Br ZINC000423164091 434255974 /nfs/dbraw/zinc/25/59/74/434255974.db2.gz NVPYJUCOVOKLCC-NSHDSACASA-N 2 1 320.234 3.416 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000423161250 434259439 /nfs/dbraw/zinc/25/94/39/434259439.db2.gz IMLSFMRPJICHNJ-CMPLNLGQSA-N 2 1 316.474 3.206 20 0 DGADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000423172716 434260266 /nfs/dbraw/zinc/26/02/66/434260266.db2.gz UUYSYZWFXQTQSY-NSHGMRRFSA-N 2 1 322.452 3.245 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379638616 434260624 /nfs/dbraw/zinc/26/06/24/434260624.db2.gz URERSDLNODSCNT-FUHWJXTLSA-N 2 1 304.478 3.444 20 0 DGADMP COc1ccc([C@H]([NH2+]C2CCC(OC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423170472 434261441 /nfs/dbraw/zinc/26/14/41/434261441.db2.gz MDRXEECLZCXIDY-AWRGBYNESA-N 2 1 318.461 3.036 20 0 DGADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423169934 434263671 /nfs/dbraw/zinc/26/36/71/434263671.db2.gz KNNCCTOUIOSKAE-LLVKDONJSA-N 2 1 317.658 3.334 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000423179712 434268925 /nfs/dbraw/zinc/26/89/25/434268925.db2.gz JUECXWJDWMJKAG-RYUDHWBXSA-N 2 1 303.631 3.072 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000319780973 434224878 /nfs/dbraw/zinc/22/48/78/434224878.db2.gz ZDZNKBRZBHEHOV-IBGZPJMESA-N 2 1 316.489 3.447 20 0 DGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000319478481 434225789 /nfs/dbraw/zinc/22/57/89/434225789.db2.gz RXBQAFYXJPSUPF-YTQUADARSA-N 2 1 304.478 3.444 20 0 DGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000319478481 434225798 /nfs/dbraw/zinc/22/57/98/434225798.db2.gz RXBQAFYXJPSUPF-YTQUADARSA-N 2 1 304.478 3.444 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2Cl)c2ccccc21 ZINC000423118639 434227317 /nfs/dbraw/zinc/22/73/17/434227317.db2.gz BPEAMHQHOIITMW-NXOUGTEYSA-N 2 1 316.832 3.150 20 0 DGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000340600742 434233453 /nfs/dbraw/zinc/23/34/53/434233453.db2.gz QKCWSWOEZVPNDR-UHFFFAOYSA-N 2 1 300.393 3.452 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000340600742 434233463 /nfs/dbraw/zinc/23/34/63/434233463.db2.gz QKCWSWOEZVPNDR-UHFFFAOYSA-N 2 1 300.393 3.452 20 0 DGADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423128011 434236923 /nfs/dbraw/zinc/23/69/23/434236923.db2.gz CUNPSDCZFJIOEZ-ZACQAIPSSA-N 2 1 324.415 3.045 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000320263198 434236921 /nfs/dbraw/zinc/23/69/21/434236921.db2.gz RUJCLSRYOWJBJX-NVXWUHKLSA-N 2 1 318.461 3.056 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000320263197 434237647 /nfs/dbraw/zinc/23/76/47/434237647.db2.gz RUJCLSRYOWJBJX-DOTOQJQBSA-N 2 1 318.461 3.056 20 0 DGADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c2)cn1 ZINC000353624637 434280972 /nfs/dbraw/zinc/28/09/72/434280972.db2.gz UHOUVDSMQXPLNM-AABGKKOBSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000382831676 434284036 /nfs/dbraw/zinc/28/40/36/434284036.db2.gz IZOLEEPYMJALQI-ZWKOTPCHSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1OC(F)F ZINC000423207391 434285761 /nfs/dbraw/zinc/28/57/61/434285761.db2.gz GYOURWVJJBYQKZ-MNOVXSKESA-N 2 1 302.340 3.077 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(Cl)cc1 ZINC000450604419 434287745 /nfs/dbraw/zinc/28/77/45/434287745.db2.gz WGDXIZKPBADMEG-KURKYZTESA-N 2 1 322.880 3.066 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000358011201 434288052 /nfs/dbraw/zinc/28/80/52/434288052.db2.gz YSMUUAUSSUZNJH-DZKIICNBSA-N 2 1 306.450 3.227 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000358011201 434288057 /nfs/dbraw/zinc/28/80/57/434288057.db2.gz YSMUUAUSSUZNJH-DZKIICNBSA-N 2 1 306.450 3.227 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)s1 ZINC000353633011 434288300 /nfs/dbraw/zinc/28/83/00/434288300.db2.gz RJCJGDPGFIEWAT-KRWDZBQOSA-N 2 1 315.486 3.488 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423214370 434289581 /nfs/dbraw/zinc/28/95/81/434289581.db2.gz OUDHQEBDAYEMNV-QWRGUYRKSA-N 2 1 315.230 3.238 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423216363 434290766 /nfs/dbraw/zinc/29/07/66/434290766.db2.gz RUHLPMKONWYUSO-NEPJUHHUSA-N 2 1 302.340 3.235 20 0 DGADMP C[C@H]([NH2+][C@H](CO)CC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348392661 434297692 /nfs/dbraw/zinc/29/76/92/434297692.db2.gz PUCGNCJCAGPQND-VDGAXYAQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423260228 434320642 /nfs/dbraw/zinc/32/06/42/434320642.db2.gz GZIVFCUYJKUMDN-HNAYVOBHSA-N 2 1 312.461 3.431 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)c2cccc(Br)c21 ZINC000423267247 434324703 /nfs/dbraw/zinc/32/47/03/434324703.db2.gz CPKKNXGRSLPTAC-BIGNPOOSSA-N 2 1 309.251 3.324 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366076593 434327127 /nfs/dbraw/zinc/32/71/27/434327127.db2.gz ZMNFWAPBIXIPKU-ZJPYXAASSA-N 2 1 318.509 3.156 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000366076593 434327136 /nfs/dbraw/zinc/32/71/36/434327136.db2.gz ZMNFWAPBIXIPKU-ZJPYXAASSA-N 2 1 318.509 3.156 20 0 DGADMP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423271469 434327553 /nfs/dbraw/zinc/32/75/53/434327553.db2.gz HOSVCDLBWGNIDE-CJNGLKHVSA-N 2 1 306.450 3.262 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103170 434327700 /nfs/dbraw/zinc/32/77/00/434327700.db2.gz VTRCRGPWIPZICI-GUDVDZBRSA-N 2 1 307.526 3.151 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103170 434327708 /nfs/dbraw/zinc/32/77/08/434327708.db2.gz VTRCRGPWIPZICI-GUDVDZBRSA-N 3 1 307.526 3.151 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103170 434327720 /nfs/dbraw/zinc/32/77/20/434327720.db2.gz VTRCRGPWIPZICI-GUDVDZBRSA-N 3 1 307.526 3.151 20 0 DGADMP CC(C)C[C@H](CN)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423270801 434328277 /nfs/dbraw/zinc/32/82/77/434328277.db2.gz WXRJTRWGXSXJJX-IOJLRTSASA-N 2 1 317.521 3.393 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423270801 434328283 /nfs/dbraw/zinc/32/82/83/434328283.db2.gz WXRJTRWGXSXJJX-IOJLRTSASA-N 3 1 317.521 3.393 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423270801 434328295 /nfs/dbraw/zinc/32/82/95/434328295.db2.gz WXRJTRWGXSXJJX-IOJLRTSASA-N 3 1 317.521 3.393 20 0 DGADMP Oc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000324657349 434277386 /nfs/dbraw/zinc/27/73/86/434277386.db2.gz DTHRXYMAEKDNQY-UHFFFAOYSA-N 2 1 324.468 3.231 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557142 434361846 /nfs/dbraw/zinc/36/18/46/434361846.db2.gz LRYYRIVENQLCQK-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390557142 434361851 /nfs/dbraw/zinc/36/18/51/434361851.db2.gz LRYYRIVENQLCQK-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP CCOC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390583481 434363389 /nfs/dbraw/zinc/36/33/89/434363389.db2.gz FASYANZKBKXUPG-ACBHZAAOSA-N 2 1 316.489 3.444 20 0 DGADMP CCOC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390583481 434363396 /nfs/dbraw/zinc/36/33/96/434363396.db2.gz FASYANZKBKXUPG-ACBHZAAOSA-N 2 1 316.489 3.444 20 0 DGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423330097 434363491 /nfs/dbraw/zinc/36/34/91/434363491.db2.gz TXBKKCXJUYVBIN-XJKSGUPXSA-N 2 1 306.450 3.262 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000390672797 434366117 /nfs/dbraw/zinc/36/61/17/434366117.db2.gz SNHARZNEVMPFBK-QYZOEREBSA-N 2 1 315.505 3.147 20 0 DGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000390672797 434366129 /nfs/dbraw/zinc/36/61/29/434366129.db2.gz SNHARZNEVMPFBK-QYZOEREBSA-N 2 1 315.505 3.147 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)C1CC1 ZINC000423333774 434369451 /nfs/dbraw/zinc/36/94/51/434369451.db2.gz VXDCOWBBGCQQQU-ROUUACIJSA-N 2 1 315.848 3.346 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000353744022 434381360 /nfs/dbraw/zinc/38/13/60/434381360.db2.gz DIVOSASUPKVULF-GDBMZVCRSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000353744022 434381383 /nfs/dbraw/zinc/38/13/83/434381383.db2.gz DIVOSASUPKVULF-GDBMZVCRSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000353744022 434381387 /nfs/dbraw/zinc/38/13/87/434381387.db2.gz DIVOSASUPKVULF-GDBMZVCRSA-N 2 1 306.450 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC[N@@H+]1C ZINC000366298028 434383226 /nfs/dbraw/zinc/38/32/26/434383226.db2.gz FOLWLTZUZQTNOB-LZQZEXGQSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC[N@H+]1C ZINC000366298028 434383238 /nfs/dbraw/zinc/38/32/38/434383238.db2.gz FOLWLTZUZQTNOB-LZQZEXGQSA-N 2 1 302.462 3.227 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000353744024 434384304 /nfs/dbraw/zinc/38/43/04/434384304.db2.gz DIVOSASUPKVULF-HOCLYGCPSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000353744024 434384332 /nfs/dbraw/zinc/38/43/32/434384332.db2.gz DIVOSASUPKVULF-HOCLYGCPSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000353744024 434384341 /nfs/dbraw/zinc/38/43/41/434384341.db2.gz DIVOSASUPKVULF-HOCLYGCPSA-N 2 1 306.450 3.008 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000423378050 434389235 /nfs/dbraw/zinc/38/92/35/434389235.db2.gz MBCNCHTVZHVMRO-GRYCIOLGSA-N 2 1 312.841 3.148 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000423372702 434389899 /nfs/dbraw/zinc/38/98/99/434389899.db2.gz IKUSLUQAQZPSCN-WWGRRREGSA-N 2 1 316.424 3.111 20 0 DGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423282466 434339920 /nfs/dbraw/zinc/33/99/20/434339920.db2.gz VCRHHSBNRVYRTG-KBPBESRZSA-N 2 1 315.230 3.366 20 0 DGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423286135 434340943 /nfs/dbraw/zinc/34/09/43/434340943.db2.gz ZRKZTVPGYFCYEL-GJZGRUSLSA-N 2 1 309.251 3.153 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000389136490 434341205 /nfs/dbraw/zinc/34/12/05/434341205.db2.gz RBMSKKHDDPSTEK-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423289368 434344769 /nfs/dbraw/zinc/34/47/69/434344769.db2.gz XAESJTWMRITODT-CYBMUJFWSA-N 2 1 318.440 3.488 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423299387 434350388 /nfs/dbraw/zinc/35/03/88/434350388.db2.gz PZYZXZOTBFCJCP-DYVFJYSZSA-N 2 1 318.465 3.139 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423297978 434351870 /nfs/dbraw/zinc/35/18/70/434351870.db2.gz MPUMTVBDOXABBL-WCQYABFASA-N 2 1 316.392 3.465 20 0 DGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000437852495 434352045 /nfs/dbraw/zinc/35/20/45/434352045.db2.gz QKVDFBCHXWMWES-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000389812410 434352486 /nfs/dbraw/zinc/35/24/86/434352486.db2.gz LDMIBSKCIKDQOR-OKILXGFUSA-N 2 1 314.351 3.017 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389783716 434353307 /nfs/dbraw/zinc/35/33/07/434353307.db2.gz FYTFKHZMQVACNA-YUELXQCFSA-N 2 1 310.388 3.280 20 0 DGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304692 434355059 /nfs/dbraw/zinc/35/50/59/434355059.db2.gz OULBISSKADUNQK-SNVBAGLBSA-N 2 1 305.422 3.128 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000390363397 434355417 /nfs/dbraw/zinc/35/54/17/434355417.db2.gz RQJSIACCFAPSFR-OKZBNKHCSA-N 2 1 317.477 3.269 20 0 DGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423310350 434356153 /nfs/dbraw/zinc/35/61/53/434356153.db2.gz ACRZLUBSDKJLMW-KBPBESRZSA-N 2 1 302.340 3.363 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000390363398 434357374 /nfs/dbraw/zinc/35/73/74/434357374.db2.gz RQJSIACCFAPSFR-RCCFBDPRSA-N 2 1 317.477 3.269 20 0 DGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423324413 434357986 /nfs/dbraw/zinc/35/79/86/434357986.db2.gz PHJLLOCYVJXYGM-YGRLFVJLSA-N 2 1 300.418 3.432 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(Br)c1 ZINC000423325125 434359560 /nfs/dbraw/zinc/35/95/60/434359560.db2.gz KWLVGDWXGNPRQP-VIFPVBQESA-N 2 1 301.203 3.120 20 0 DGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423322138 434359789 /nfs/dbraw/zinc/35/97/89/434359789.db2.gz NPZLZANIFNNPQH-KGLIPLIRSA-N 2 1 309.251 3.072 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407261 434408163 /nfs/dbraw/zinc/40/81/63/434408163.db2.gz ZPEYZYUXRJNOJK-LTFPLMDUSA-N 2 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000423407261 434408170 /nfs/dbraw/zinc/40/81/70/434408170.db2.gz ZPEYZYUXRJNOJK-LTFPLMDUSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423407261 434408178 /nfs/dbraw/zinc/40/81/78/434408178.db2.gz ZPEYZYUXRJNOJK-LTFPLMDUSA-N 3 1 313.489 3.042 20 0 DGADMP COC[C@]1(C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CCC[NH2+]1 ZINC000423415442 434410755 /nfs/dbraw/zinc/41/07/55/434410755.db2.gz PBPWOHLECPHHQN-RTBURBONSA-N 2 1 302.462 3.194 20 0 DGADMP COC[C@@]1(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CCC[NH2+]1 ZINC000423415130 434412091 /nfs/dbraw/zinc/41/20/91/434412091.db2.gz OQGQFSZDERKOHE-OALUTQOASA-N 2 1 302.462 3.276 20 0 DGADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC000423422103 434414484 /nfs/dbraw/zinc/41/44/84/434414484.db2.gz CSNZCRGUTQEVTL-IDCXYZFESA-N 2 1 322.452 3.442 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115503 434414836 /nfs/dbraw/zinc/41/48/36/434414836.db2.gz HTOMHWJUZOUXRG-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115503 434414843 /nfs/dbraw/zinc/41/48/43/434414843.db2.gz HTOMHWJUZOUXRG-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115503 434414844 /nfs/dbraw/zinc/41/48/44/434414844.db2.gz HTOMHWJUZOUXRG-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115503 434414851 /nfs/dbraw/zinc/41/48/51/434414851.db2.gz HTOMHWJUZOUXRG-UGSOOPFHSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115500 434416305 /nfs/dbraw/zinc/41/63/05/434416305.db2.gz HTOMHWJUZOUXRG-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115500 434416312 /nfs/dbraw/zinc/41/63/12/434416312.db2.gz HTOMHWJUZOUXRG-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115500 434416318 /nfs/dbraw/zinc/41/63/18/434416318.db2.gz HTOMHWJUZOUXRG-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000438115500 434416329 /nfs/dbraw/zinc/41/63/29/434416329.db2.gz HTOMHWJUZOUXRG-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438121490 434417702 /nfs/dbraw/zinc/41/77/02/434417702.db2.gz YLVDCPPUAIDAGP-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP COC[C@]1(C[NH2+][C@H](CSc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423417385 434417663 /nfs/dbraw/zinc/41/76/63/434417663.db2.gz SGLZEJWRGBCHLR-QZTJIDSGSA-N 2 1 322.518 3.162 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000366455598 434420505 /nfs/dbraw/zinc/42/05/05/434420505.db2.gz SBLCOEDWWAFZLX-JEYLPNPQSA-N 2 1 308.470 3.114 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000366455598 434420515 /nfs/dbraw/zinc/42/05/15/434420515.db2.gz SBLCOEDWWAFZLX-JEYLPNPQSA-N 2 1 308.470 3.114 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423439411 434425915 /nfs/dbraw/zinc/42/59/15/434425915.db2.gz AAQNBZBQINLDSL-GXTWGEPZSA-N 2 1 302.340 3.363 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000396882013 434428319 /nfs/dbraw/zinc/42/83/19/434428319.db2.gz LLHJPODEZYBQMG-BPQIPLTHSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000396882013 434428330 /nfs/dbraw/zinc/42/83/30/434428330.db2.gz LLHJPODEZYBQMG-BPQIPLTHSA-N 2 1 302.462 3.197 20 0 DGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(F)cn1 ZINC000287697639 434431634 /nfs/dbraw/zinc/43/16/34/434431634.db2.gz NLJKLDAIXBNPHP-CYBMUJFWSA-N 2 1 317.408 3.142 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)co2)cc1 ZINC000397406308 434435448 /nfs/dbraw/zinc/43/54/48/434435448.db2.gz LVZXIWFQGMHXPP-UXLLHSPISA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)co2)cc1 ZINC000397406308 434435455 /nfs/dbraw/zinc/43/54/55/434435455.db2.gz LVZXIWFQGMHXPP-UXLLHSPISA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423464303 434436554 /nfs/dbraw/zinc/43/65/54/434436554.db2.gz QSISSIJRTAYPLJ-MDNKFWRPSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423464303 434436561 /nfs/dbraw/zinc/43/65/61/434436561.db2.gz QSISSIJRTAYPLJ-MDNKFWRPSA-N 2 1 315.505 3.004 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423476191 434440123 /nfs/dbraw/zinc/44/01/23/434440123.db2.gz QVFHTOIRHDRSEC-ZVZYQTTQSA-N 3 1 312.461 3.349 20 0 DGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423473223 434440901 /nfs/dbraw/zinc/44/09/01/434440901.db2.gz QQBXXSOWISHXII-DCGLDWPTSA-N 2 1 303.837 3.344 20 0 DGADMP Cn1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CCCCC2)n1 ZINC000359998771 434470411 /nfs/dbraw/zinc/47/04/11/434470411.db2.gz XMKUXLQGUMGIOX-ROUUACIJSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C2CCCCC2)n1 ZINC000359998771 434470420 /nfs/dbraw/zinc/47/04/20/434470420.db2.gz XMKUXLQGUMGIOX-ROUUACIJSA-N 2 1 316.493 3.184 20 0 DGADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CCCCC2)n1 ZINC000359998771 434470425 /nfs/dbraw/zinc/47/04/25/434470425.db2.gz XMKUXLQGUMGIOX-ROUUACIJSA-N 2 1 316.493 3.184 20 0 DGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000423534652 434479837 /nfs/dbraw/zinc/47/98/37/434479837.db2.gz WMJYAZWLSZJYLU-CVEARBPZSA-N 2 1 306.450 3.262 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400368905 434488175 /nfs/dbraw/zinc/48/81/75/434488175.db2.gz SWBXCQUCTSZCKZ-QXAKKESOSA-N 2 1 315.505 3.017 20 0 DGADMP Cc1ccc(C(=O)C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000522001407 294897458 /nfs/dbraw/zinc/89/74/58/294897458.db2.gz HSDFFPZWPPZRLU-QGZVFWFLSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)s1 ZINC000401866386 434499475 /nfs/dbraw/zinc/49/94/75/434499475.db2.gz HTCROTHTNPIIRF-SECBINFHSA-N 2 1 314.252 3.137 20 0 DGADMP Clc1ccc([C@H](CC2CC2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423485780 434450189 /nfs/dbraw/zinc/45/01/89/434450189.db2.gz BFXUETMSWBUDQK-IRXDYDNUSA-N 2 1 308.853 3.149 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398147745 434455289 /nfs/dbraw/zinc/45/52/89/434455289.db2.gz OLFMITWSHGJWRM-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398147745 434455297 /nfs/dbraw/zinc/45/52/97/434455297.db2.gz OLFMITWSHGJWRM-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000398181657 434456129 /nfs/dbraw/zinc/45/61/29/434456129.db2.gz XDUSUHZUHQFCFY-YTQUADARSA-N 2 1 304.478 3.302 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398147746 434456801 /nfs/dbraw/zinc/45/68/01/434456801.db2.gz OLFMITWSHGJWRM-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398147746 434456811 /nfs/dbraw/zinc/45/68/11/434456811.db2.gz OLFMITWSHGJWRM-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000398126700 434457412 /nfs/dbraw/zinc/45/74/12/434457412.db2.gz RQLZIFDMDSVBRB-FHWLQOOXSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000398126700 434457421 /nfs/dbraw/zinc/45/74/21/434457421.db2.gz RQLZIFDMDSVBRB-FHWLQOOXSA-N 2 1 303.494 3.003 20 0 DGADMP c1nc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000450883983 434457661 /nfs/dbraw/zinc/45/76/61/434457661.db2.gz YKLGCHNBOJBOON-UHFFFAOYSA-N 2 1 316.474 3.098 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2sccc2Br)[C@@H]1CC[NH3+] ZINC000404314408 434511729 /nfs/dbraw/zinc/51/17/29/434511729.db2.gz YWPNTLLUUIHPMN-ZYHUDNBSSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2sccc2Br)[C@@H]1CC[NH3+] ZINC000404314408 434511735 /nfs/dbraw/zinc/51/17/35/434511735.db2.gz YWPNTLLUUIHPMN-ZYHUDNBSSA-N 2 1 317.296 3.460 20 0 DGADMP CCC[N@H+](CCC1=CCCCC1)CCN1CC[NH+](CC)CC1 ZINC000451034527 434541018 /nfs/dbraw/zinc/54/10/18/434541018.db2.gz DAIFGHPWDCAOQP-UHFFFAOYSA-N 2 1 307.526 3.226 20 0 DGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232438 434554043 /nfs/dbraw/zinc/55/40/43/434554043.db2.gz AJDDTUOJZUHBEQ-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232438 434554047 /nfs/dbraw/zinc/55/40/47/434554047.db2.gz AJDDTUOJZUHBEQ-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360232438 434554053 /nfs/dbraw/zinc/55/40/53/434554053.db2.gz AJDDTUOJZUHBEQ-KBPBESRZSA-N 2 1 324.440 3.225 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C2CC2)cc1 ZINC000459368005 434568313 /nfs/dbraw/zinc/56/83/13/434568313.db2.gz VXKHYYOQOLMYLF-VAMGGRTRSA-N 2 1 314.473 3.248 20 0 DGADMP CCC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OCC ZINC000527741666 295124088 /nfs/dbraw/zinc/12/40/88/295124088.db2.gz ABUPEMLJGBETRV-LJQANCHMSA-N 2 1 304.478 3.446 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527854540 295140643 /nfs/dbraw/zinc/14/06/43/295140643.db2.gz SFJFJMRDFUKQNE-LJQANCHMSA-N 2 1 304.478 3.393 20 0 DGADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000528368012 295204245 /nfs/dbraw/zinc/20/42/45/295204245.db2.gz MNYSDADCWIOSEO-LJQANCHMSA-N 2 1 322.468 3.188 20 0 DGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000459431942 434582967 /nfs/dbraw/zinc/58/29/67/434582967.db2.gz GBGJLDVLRCPQAM-QAPCUYQASA-N 2 1 313.445 3.373 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000422901055 295223965 /nfs/dbraw/zinc/22/39/65/295223965.db2.gz BEWMPXZWZPDGBZ-NKELODKYSA-N 3 1 307.526 3.138 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCCN2CC2CCCCC2)CC1 ZINC000422901055 295223968 /nfs/dbraw/zinc/22/39/68/295223968.db2.gz BEWMPXZWZPDGBZ-NKELODKYSA-N 2 1 307.526 3.138 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000423327290 295224833 /nfs/dbraw/zinc/22/48/33/295224833.db2.gz KBXLSGAZOFQTNA-JVPBZIDWSA-N 2 1 302.462 3.309 20 0 DGADMP CCCc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000349064736 434595709 /nfs/dbraw/zinc/59/57/09/434595709.db2.gz VYYMDBYHYYCJRU-UHFFFAOYSA-N 2 1 317.521 3.097 20 0 DGADMP CC(C)n1cncc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424138323 434634745 /nfs/dbraw/zinc/63/47/45/434634745.db2.gz UEQBNVVPNSPMIG-CALCHBBNSA-N 2 1 306.498 3.312 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000360604315 434644841 /nfs/dbraw/zinc/64/48/41/434644841.db2.gz KLEJLYWCYIMJTF-QRVBRYPASA-N 2 1 302.462 3.059 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000354081744 434608695 /nfs/dbraw/zinc/60/86/95/434608695.db2.gz HBSAKFNPABSBMW-CYBMUJFWSA-N 2 1 316.898 3.334 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000354081744 434608698 /nfs/dbraw/zinc/60/86/98/434608698.db2.gz HBSAKFNPABSBMW-CYBMUJFWSA-N 2 1 316.898 3.334 20 0 DGADMP Cc1nccn1CCCC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563568 434608893 /nfs/dbraw/zinc/60/88/93/434608893.db2.gz PTGOQLIRBLHEBW-GOSISDBHSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563568 434608897 /nfs/dbraw/zinc/60/88/97/434608897.db2.gz PTGOQLIRBLHEBW-GOSISDBHSA-N 2 1 321.465 3.025 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563568 434608900 /nfs/dbraw/zinc/60/89/00/434608900.db2.gz PTGOQLIRBLHEBW-GOSISDBHSA-N 2 1 321.465 3.025 20 0 DGADMP CCC(CC)(C[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000424324261 434696781 /nfs/dbraw/zinc/69/67/81/434696781.db2.gz LWCJBOONWKICDG-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295087 434665990 /nfs/dbraw/zinc/66/59/90/434665990.db2.gz OQVLBUIJEQWIRF-RYQLBKOJSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295087 434665994 /nfs/dbraw/zinc/66/59/94/434665994.db2.gz OQVLBUIJEQWIRF-RYQLBKOJSA-N 2 1 320.502 3.092 20 0 DGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000371332604 434669513 /nfs/dbraw/zinc/66/95/13/434669513.db2.gz ACAUMXWSMXESCP-LJQANCHMSA-N 2 1 307.526 3.057 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000424272678 434671736 /nfs/dbraw/zinc/67/17/36/434671736.db2.gz UPGCITJANXUHOX-OLZOCXBDSA-N 2 1 308.853 3.484 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000424272678 434671747 /nfs/dbraw/zinc/67/17/47/434671747.db2.gz UPGCITJANXUHOX-OLZOCXBDSA-N 2 1 308.853 3.484 20 0 DGADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1SC ZINC000424284126 434678229 /nfs/dbraw/zinc/67/82/29/434678229.db2.gz CQGMIVFPZRKDBP-AWEZNQCLSA-N 2 1 320.502 3.381 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226476 434679340 /nfs/dbraw/zinc/67/93/40/434679340.db2.gz WIGWXWLYDYRADW-UKRRQHHQSA-N 2 1 303.406 3.239 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCOc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424289745 434679512 /nfs/dbraw/zinc/67/95/12/434679512.db2.gz MLDRZDAWMKHHCU-AWEZNQCLSA-N 2 1 308.853 3.183 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424294460 434681805 /nfs/dbraw/zinc/68/18/05/434681805.db2.gz QMLPLRSRFWEILM-CYBMUJFWSA-N 2 1 323.278 3.413 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424301708 434686235 /nfs/dbraw/zinc/68/62/35/434686235.db2.gz YBHOHHMSXRVHSU-ZIAGYGMSSA-N 2 1 323.506 3.205 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@@H+]1C ZINC000424311933 434690439 /nfs/dbraw/zinc/69/04/39/434690439.db2.gz LLYIPBSHCKMWCO-HYVNUMGLSA-N 2 1 315.486 3.499 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@H+]1C ZINC000424311933 434690447 /nfs/dbraw/zinc/69/04/47/434690447.db2.gz LLYIPBSHCKMWCO-HYVNUMGLSA-N 2 1 315.486 3.499 20 0 DGADMP CC[N@@H+](CCC(=O)OC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411223670 434746259 /nfs/dbraw/zinc/74/62/59/434746259.db2.gz PIYFEBIDXBWSIS-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP OCC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411218574 434746644 /nfs/dbraw/zinc/74/66/44/434746644.db2.gz BTXXJARCCVXVIO-FQEVSTJZSA-N 2 1 316.489 3.409 20 0 DGADMP Oc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000360975039 434752916 /nfs/dbraw/zinc/75/29/16/434752916.db2.gz MUFUKLHDMALCTE-UHFFFAOYSA-N 2 1 319.408 3.263 20 0 DGADMP COC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411284600 434754043 /nfs/dbraw/zinc/75/40/43/434754043.db2.gz OWFZGYRDRWCGOY-IBGZPJMESA-N 2 1 302.462 3.141 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)F)cc1 ZINC000349404685 434706101 /nfs/dbraw/zinc/70/61/01/434706101.db2.gz GOMIFWIYCIGDEB-UHFFFAOYSA-N 2 1 300.393 3.104 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)F)cc1 ZINC000349404685 434706108 /nfs/dbraw/zinc/70/61/08/434706108.db2.gz GOMIFWIYCIGDEB-UHFFFAOYSA-N 2 1 300.393 3.104 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000459770956 434707968 /nfs/dbraw/zinc/70/79/68/434707968.db2.gz HZGMNEMSGMYZGA-FZMZJTMJSA-N 2 1 312.379 3.413 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000424370936 434714156 /nfs/dbraw/zinc/71/41/56/434714156.db2.gz FGVJWCBWYVFBSI-QLFBSQMISA-N 2 1 309.251 3.296 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3c(s1)C[C@@H](C)CC3)CC[NH2+]CC2 ZINC000424374625 434714646 /nfs/dbraw/zinc/71/46/46/434714646.db2.gz IKBSLSSQTMNCPV-UONOGXRCSA-N 2 1 319.518 3.232 20 0 DGADMP CC[C@@H]1COCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411273841 434754675 /nfs/dbraw/zinc/75/46/75/434754675.db2.gz OWNONSSLHKMVPY-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@@H]1COCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411273841 434754679 /nfs/dbraw/zinc/75/46/79/434754679.db2.gz OWNONSSLHKMVPY-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000459793826 434720898 /nfs/dbraw/zinc/72/08/98/434720898.db2.gz TZGHFFONBVWUTK-CVEARBPZSA-N 2 1 322.468 3.334 20 0 DGADMP CC1(C)COCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411185108 434739135 /nfs/dbraw/zinc/73/91/35/434739135.db2.gz MSGXPHFTXSYRNY-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CC1(C)COCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411185108 434739140 /nfs/dbraw/zinc/73/91/40/434739140.db2.gz MSGXPHFTXSYRNY-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000360944182 434739302 /nfs/dbraw/zinc/73/93/02/434739302.db2.gz ZIWBFVFIOPKPSE-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000360944182 434739308 /nfs/dbraw/zinc/73/93/08/434739308.db2.gz ZIWBFVFIOPKPSE-CRAIPNDOSA-N 2 1 317.477 3.223 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000411193690 434741415 /nfs/dbraw/zinc/74/14/15/434741415.db2.gz STJUHJJLKXQQSO-PMACEKPBSA-N 2 1 314.473 3.426 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000411193690 434741424 /nfs/dbraw/zinc/74/14/24/434741424.db2.gz STJUHJJLKXQQSO-PMACEKPBSA-N 2 1 314.473 3.426 20 0 DGADMP CC[C@@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000419236324 434755737 /nfs/dbraw/zinc/75/57/37/434755737.db2.gz DWOALLKGFGSXKP-OGWHTMIXSA-N 2 1 304.478 3.158 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296513 434757020 /nfs/dbraw/zinc/75/70/20/434757020.db2.gz GRFFEJWTRVDZKU-ZYSHUDEJSA-N 2 1 302.437 3.345 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296513 434757024 /nfs/dbraw/zinc/75/70/24/434757024.db2.gz GRFFEJWTRVDZKU-ZYSHUDEJSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296513 434757030 /nfs/dbraw/zinc/75/70/30/434757030.db2.gz GRFFEJWTRVDZKU-ZYSHUDEJSA-N 2 1 302.437 3.345 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411296513 434757035 /nfs/dbraw/zinc/75/70/35/434757035.db2.gz GRFFEJWTRVDZKU-ZYSHUDEJSA-N 2 1 302.437 3.345 20 0 DGADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248615 434758826 /nfs/dbraw/zinc/75/88/26/434758826.db2.gz XVFXEZFWOFSHMT-BHIYHBOVSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248615 434758827 /nfs/dbraw/zinc/75/88/27/434758827.db2.gz XVFXEZFWOFSHMT-BHIYHBOVSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248615 434758829 /nfs/dbraw/zinc/75/88/29/434758829.db2.gz XVFXEZFWOFSHMT-BHIYHBOVSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000419248615 434758830 /nfs/dbraw/zinc/75/88/30/434758830.db2.gz XVFXEZFWOFSHMT-BHIYHBOVSA-N 2 1 304.478 3.396 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000411426318 434777653 /nfs/dbraw/zinc/77/76/53/434777653.db2.gz PLBZPFPXVBQVNQ-FQEVSTJZSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000411426318 434777657 /nfs/dbraw/zinc/77/76/57/434777657.db2.gz PLBZPFPXVBQVNQ-FQEVSTJZSA-N 2 1 314.473 3.283 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000414245941 297283474 /nfs/dbraw/zinc/28/34/74/297283474.db2.gz UBVKLCKVBZJGKQ-KGLIPLIRSA-N 2 1 308.416 3.459 20 0 DGADMP COc1c(C)c[nH+]c(CN(C)C(C)(C)C[NH+]2CCCC2)c1C ZINC000419383891 434782948 /nfs/dbraw/zinc/78/29/48/434782948.db2.gz YLZPAHFVGHSTPJ-UHFFFAOYSA-N 2 1 305.466 3.013 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422888212 297357962 /nfs/dbraw/zinc/35/79/62/297357962.db2.gz CDHLILIEZCSUGB-ACZWYYKOSA-N 2 1 315.505 3.134 20 0 DGADMP COCC1=CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411560596 434802110 /nfs/dbraw/zinc/80/21/10/434802110.db2.gz XYOKZRPGOJLDMA-UHFFFAOYSA-N 2 1 314.473 3.451 20 0 DGADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccncc1 ZINC000453114755 434804431 /nfs/dbraw/zinc/80/44/31/434804431.db2.gz HBVNYRRGPXLOQW-GOSISDBHSA-N 2 1 310.445 3.495 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000453070076 434791290 /nfs/dbraw/zinc/79/12/90/434791290.db2.gz ZVCUDPSEACTXNH-MSOLQXFVSA-N 2 1 306.498 3.152 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccncn1 ZINC000453090951 434796386 /nfs/dbraw/zinc/79/63/86/434796386.db2.gz PRGWRURKKZKNQS-INIZCTEOSA-N 2 1 310.445 3.313 20 0 DGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1O ZINC000411606670 434805380 /nfs/dbraw/zinc/80/53/80/434805380.db2.gz JAYVNHILZQUBNF-IBGZPJMESA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453125655 434809708 /nfs/dbraw/zinc/80/97/08/434809708.db2.gz JPQRVZHYSSBATP-GSEOLPGOSA-N 2 1 316.489 3.180 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060703 434862904 /nfs/dbraw/zinc/86/29/04/434862904.db2.gz GQPDEBQIPZZARJ-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060703 434862906 /nfs/dbraw/zinc/86/29/06/434862906.db2.gz GQPDEBQIPZZARJ-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060703 434862908 /nfs/dbraw/zinc/86/29/08/434862908.db2.gz GQPDEBQIPZZARJ-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000453171500 434822764 /nfs/dbraw/zinc/82/27/64/434822764.db2.gz LZVLCGUSGKQKLV-XYJFISCASA-N 2 1 312.461 3.361 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@]23CCOC3)cc(C[NH+]2CCCCC2)c1 ZINC000411764964 434826059 /nfs/dbraw/zinc/82/60/59/434826059.db2.gz HZDMYQUOIYACET-FQEVSTJZSA-N 2 1 314.473 3.427 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453193463 434826091 /nfs/dbraw/zinc/82/60/91/434826091.db2.gz IDZIFDUNRRMZBB-AQNXPRMDSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H]2CCOc3c(F)ccc(F)c32)[C@H]2CCC[C@@H]21 ZINC000361190468 434827447 /nfs/dbraw/zinc/82/74/47/434827447.db2.gz YUNMMRWIRGGVEX-CAPXZKIUSA-N 2 1 322.399 3.251 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H]2CCC[C@@H]21 ZINC000361190468 434827450 /nfs/dbraw/zinc/82/74/50/434827450.db2.gz YUNMMRWIRGGVEX-CAPXZKIUSA-N 2 1 322.399 3.251 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H]2CCC[C@@H]21 ZINC000361190468 434827453 /nfs/dbraw/zinc/82/74/53/434827453.db2.gz YUNMMRWIRGGVEX-CAPXZKIUSA-N 2 1 322.399 3.251 20 0 DGADMP C[C@@H]([N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1)C(C)(C)O ZINC000411804590 434831055 /nfs/dbraw/zinc/83/10/55/434831055.db2.gz YWPMFHMFTCNGGT-MRXNPFEDSA-N 2 1 304.478 3.264 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)OC ZINC000453245996 434839424 /nfs/dbraw/zinc/83/94/24/434839424.db2.gz GOGGOHMRKWDBJN-UAFMIMERSA-N 2 1 316.489 3.444 20 0 DGADMP CCO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335331 434891914 /nfs/dbraw/zinc/89/19/14/434891914.db2.gz OGJJEFUICZYYIT-MSOLQXFVSA-N 2 1 319.493 3.412 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000573335331 434891918 /nfs/dbraw/zinc/89/19/18/434891918.db2.gz OGJJEFUICZYYIT-MSOLQXFVSA-N 2 1 319.493 3.412 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000462114527 434900330 /nfs/dbraw/zinc/90/03/30/434900330.db2.gz WVKWECQHWUEQOM-ZFWWWQNUSA-N 2 1 322.415 3.056 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000462113480 434900527 /nfs/dbraw/zinc/90/05/27/434900527.db2.gz WWLJFDXFCBWKOD-PKOBYXMFSA-N 3 1 309.542 3.351 20 0 DGADMP CCOCCN1CCN(c2cc(C)c3ccc(C)cc3n2)CC1 ZINC000460943146 434865630 /nfs/dbraw/zinc/86/56/30/434865630.db2.gz ITGDQSYJROMXEA-UHFFFAOYSA-N 2 1 313.445 3.010 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000573101962 434873845 /nfs/dbraw/zinc/87/38/45/434873845.db2.gz QFRVDENKNSITNW-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP CCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998362 434942694 /nfs/dbraw/zinc/94/26/94/434942694.db2.gz RKMAWRIVEMXVSG-GDBMZVCRSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@@H](O)C[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998362 434942698 /nfs/dbraw/zinc/94/26/98/434942698.db2.gz RKMAWRIVEMXVSG-GDBMZVCRSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@@H](O)C[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998362 434942702 /nfs/dbraw/zinc/94/27/02/434942702.db2.gz RKMAWRIVEMXVSG-GDBMZVCRSA-N 2 1 304.434 3.128 20 0 DGADMP C[N@@H+](CCC[C@H]1CCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067745 434945085 /nfs/dbraw/zinc/94/50/85/434945085.db2.gz UKLWFZOEYOADLY-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@H]1CCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067745 434945089 /nfs/dbraw/zinc/94/50/89/434945089.db2.gz UKLWFZOEYOADLY-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](CCC[C@H]1CCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067745 434945094 /nfs/dbraw/zinc/94/50/94/434945094.db2.gz UKLWFZOEYOADLY-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCC(C)C)c2C1 ZINC000638089102 434948860 /nfs/dbraw/zinc/94/88/60/434948860.db2.gz NMEADHRJUWJOOY-MRXNPFEDSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCC(C)C)c2C1 ZINC000638089102 434948864 /nfs/dbraw/zinc/94/88/64/434948864.db2.gz NMEADHRJUWJOOY-MRXNPFEDSA-N 2 1 303.450 3.114 20 0 DGADMP CN(CC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000554883104 434950391 /nfs/dbraw/zinc/95/03/91/434950391.db2.gz VGDRJKYKKRPDFW-QGZVFWFLSA-N 2 1 309.542 3.161 20 0 DGADMP CN(CCC[NH+](C)C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000554877042 434951419 /nfs/dbraw/zinc/95/14/19/434951419.db2.gz DOVLDDCEHZJUJX-UHFFFAOYSA-N 2 1 305.510 3.028 20 0 DGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000554891711 434952133 /nfs/dbraw/zinc/95/21/33/434952133.db2.gz DZIFWZJLFYSIIO-IXDOHACOSA-N 2 1 306.498 3.219 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000523554614 434953849 /nfs/dbraw/zinc/95/38/49/434953849.db2.gz ZKJJEGJKWJJWLF-IBGZPJMESA-N 2 1 316.489 3.490 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638113581 434954730 /nfs/dbraw/zinc/95/47/30/434954730.db2.gz PQCTUADSUIHILV-HBFSDRIKSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638113581 434954736 /nfs/dbraw/zinc/95/47/36/434954736.db2.gz PQCTUADSUIHILV-HBFSDRIKSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638113581 434954740 /nfs/dbraw/zinc/95/47/40/434954740.db2.gz PQCTUADSUIHILV-HBFSDRIKSA-N 2 1 315.505 3.175 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638113578 434955031 /nfs/dbraw/zinc/95/50/31/434955031.db2.gz PQCTUADSUIHILV-BJLQDIEVSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638113578 434955038 /nfs/dbraw/zinc/95/50/38/434955038.db2.gz PQCTUADSUIHILV-BJLQDIEVSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000638113578 434955040 /nfs/dbraw/zinc/95/50/40/434955040.db2.gz PQCTUADSUIHILV-BJLQDIEVSA-N 2 1 315.505 3.175 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574198872 434958263 /nfs/dbraw/zinc/95/82/63/434958263.db2.gz FTQCLOBPTGCXGN-QGZVKYPTSA-N 2 1 318.505 3.284 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000638180466 434972628 /nfs/dbraw/zinc/97/26/28/434972628.db2.gz VOTSVPKXERWOGM-WMZOPIPTSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000638180466 434972630 /nfs/dbraw/zinc/97/26/30/434972630.db2.gz VOTSVPKXERWOGM-WMZOPIPTSA-N 2 1 302.462 3.260 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000638180466 434972633 /nfs/dbraw/zinc/97/26/33/434972633.db2.gz VOTSVPKXERWOGM-WMZOPIPTSA-N 2 1 302.462 3.260 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000555415541 434973998 /nfs/dbraw/zinc/97/39/98/434973998.db2.gz ZMXQYEYDSZJQST-XGXHKWSGSA-N 2 1 308.510 3.386 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000462797922 434930116 /nfs/dbraw/zinc/93/01/16/434930116.db2.gz KKKQEDRPFLWFIG-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000462797922 434930119 /nfs/dbraw/zinc/93/01/19/434930119.db2.gz KKKQEDRPFLWFIG-HNNXBMFYSA-N 2 1 308.441 3.292 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798669 434930263 /nfs/dbraw/zinc/93/02/63/434930263.db2.gz MDAVNXSZANDSMY-PBHICJAKSA-N 2 1 318.461 3.072 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638372664 435016595 /nfs/dbraw/zinc/01/65/95/435016595.db2.gz XYQRPLPNIPUUQQ-GASCZTMLSA-N 2 1 305.466 3.400 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)cc2c1 ZINC000556671574 435016661 /nfs/dbraw/zinc/01/66/61/435016661.db2.gz RSHINTZLQSBSMZ-AWEZNQCLSA-N 2 1 302.418 3.261 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cc2c1 ZINC000556671574 435016664 /nfs/dbraw/zinc/01/66/64/435016664.db2.gz RSHINTZLQSBSMZ-AWEZNQCLSA-N 2 1 302.418 3.261 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000638448607 435033684 /nfs/dbraw/zinc/03/36/84/435033684.db2.gz VKSPBWFIRAEMTN-ILXRZTDVSA-N 2 1 310.532 3.444 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000638448607 435033687 /nfs/dbraw/zinc/03/36/87/435033687.db2.gz VKSPBWFIRAEMTN-ILXRZTDVSA-N 2 1 310.532 3.444 20 0 DGADMP CC1=CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000556816648 435026647 /nfs/dbraw/zinc/02/66/47/435026647.db2.gz HYJVCBKFQFOVLG-FQEVSTJZSA-N 2 1 313.489 3.022 20 0 DGADMP Cc1cnc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000638447059 435031749 /nfs/dbraw/zinc/03/17/49/435031749.db2.gz AUMAIIGWHNDLCK-AWEZNQCLSA-N 2 1 305.447 3.046 20 0 DGADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638446809 435031811 /nfs/dbraw/zinc/03/18/11/435031811.db2.gz SEVMXZJEACCYNR-HHXXYDBFSA-N 2 1 302.462 3.227 20 0 DGADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638446809 435031813 /nfs/dbraw/zinc/03/18/13/435031813.db2.gz SEVMXZJEACCYNR-HHXXYDBFSA-N 2 1 302.462 3.227 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000556868058 435032018 /nfs/dbraw/zinc/03/20/18/435032018.db2.gz GGULHGQKTYAGMR-HUUCEWRRSA-N 2 1 306.450 3.005 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000574510718 434982644 /nfs/dbraw/zinc/98/26/44/434982644.db2.gz YSVPMFRMZJEUQK-AWEZNQCLSA-N 2 1 315.383 3.456 20 0 DGADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000574630381 434991888 /nfs/dbraw/zinc/99/18/88/434991888.db2.gz YHFDQVQLJISTNZ-GJZGRUSLSA-N 2 1 323.440 3.197 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638627681 435061182 /nfs/dbraw/zinc/06/11/82/435061182.db2.gz SVTWTIMZAYWFCU-YZGWKJHDSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638627681 435061187 /nfs/dbraw/zinc/06/11/87/435061187.db2.gz SVTWTIMZAYWFCU-YZGWKJHDSA-N 2 1 316.489 3.351 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@H]3CC3(F)F)CCCC2)CC1 ZINC000638636772 435061873 /nfs/dbraw/zinc/06/18/73/435061873.db2.gz GTSPPDOCPWZAPF-DZGCQCFKSA-N 2 1 316.436 3.043 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CCOC1 ZINC000638692642 435071436 /nfs/dbraw/zinc/07/14/36/435071436.db2.gz KMLKYDHEACSJAW-MMTROXRISA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CCOC1 ZINC000638692642 435071439 /nfs/dbraw/zinc/07/14/39/435071439.db2.gz KMLKYDHEACSJAW-MMTROXRISA-N 2 1 314.473 3.369 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOCCc2ccccc2)C[C@H]1C ZINC000531139955 435074051 /nfs/dbraw/zinc/07/40/51/435074051.db2.gz KONKDASYTNXFBS-UYAOXDASSA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCCc2ccccc2)C[C@H]1C ZINC000531139955 435074057 /nfs/dbraw/zinc/07/40/57/435074057.db2.gz KONKDASYTNXFBS-UYAOXDASSA-N 2 1 318.505 3.440 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCCc2ccccc2)C[C@H]1C ZINC000531139955 435074060 /nfs/dbraw/zinc/07/40/60/435074060.db2.gz KONKDASYTNXFBS-UYAOXDASSA-N 2 1 318.505 3.440 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCSC3)CC[N@H+]2C2CC2)cc1 ZINC000638714563 435074234 /nfs/dbraw/zinc/07/42/34/435074234.db2.gz HCZYIHUWNQBLNC-JZXOWHBKSA-N 2 1 302.487 3.450 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCSC3)CC[N@@H+]2C2CC2)cc1 ZINC000638714563 435074237 /nfs/dbraw/zinc/07/42/37/435074237.db2.gz HCZYIHUWNQBLNC-JZXOWHBKSA-N 2 1 302.487 3.450 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cc(C)ccc2C)C[C@H]1C ZINC000531140113 435074597 /nfs/dbraw/zinc/07/45/97/435074597.db2.gz MVEKSGVDPDGUFR-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cc(C)ccc2C)C[C@H]1C ZINC000531140113 435074600 /nfs/dbraw/zinc/07/46/00/435074600.db2.gz MVEKSGVDPDGUFR-MSOLQXFVSA-N 2 1 304.478 3.487 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000531343509 435086522 /nfs/dbraw/zinc/08/65/22/435086522.db2.gz AYPZMGKTKCEFNA-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638449402 435034359 /nfs/dbraw/zinc/03/43/59/435034359.db2.gz PSBDSTIUWXMSGB-QUCCMNQESA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000558419246 435089775 /nfs/dbraw/zinc/08/97/75/435089775.db2.gz RMROKMQALVRFHW-GGPKGHCWSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000558419246 435089776 /nfs/dbraw/zinc/08/97/76/435089776.db2.gz RMROKMQALVRFHW-GGPKGHCWSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000558419246 435089782 /nfs/dbraw/zinc/08/97/82/435089782.db2.gz RMROKMQALVRFHW-GGPKGHCWSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000558419246 435089784 /nfs/dbraw/zinc/08/97/84/435089784.db2.gz RMROKMQALVRFHW-GGPKGHCWSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000558419246 435089789 /nfs/dbraw/zinc/08/97/89/435089789.db2.gz RMROKMQALVRFHW-GGPKGHCWSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638477555 435039300 /nfs/dbraw/zinc/03/93/00/435039300.db2.gz LXYUANGEUQPPSC-UYAOXDASSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638477555 435039303 /nfs/dbraw/zinc/03/93/03/435039303.db2.gz LXYUANGEUQPPSC-UYAOXDASSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638477555 435039304 /nfs/dbraw/zinc/03/93/04/435039304.db2.gz LXYUANGEUQPPSC-UYAOXDASSA-N 2 1 315.505 3.284 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638476458 435039343 /nfs/dbraw/zinc/03/93/43/435039343.db2.gz NUBHNAZWORWREW-VDZJLULYSA-N 2 1 302.462 3.369 20 0 DGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638476458 435039345 /nfs/dbraw/zinc/03/93/45/435039345.db2.gz NUBHNAZWORWREW-VDZJLULYSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638486421 435040894 /nfs/dbraw/zinc/04/08/94/435040894.db2.gz SKNPAJPUGPMNRX-SUMDDJOVSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638486421 435040895 /nfs/dbraw/zinc/04/08/95/435040895.db2.gz SKNPAJPUGPMNRX-SUMDDJOVSA-N 2 1 302.462 3.369 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1C[NH+]1CCCCC1 ZINC000578622932 435098220 /nfs/dbraw/zinc/09/82/20/435098220.db2.gz DUTGSMJGBCYXAC-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP CCOC1CC(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000638853508 435104424 /nfs/dbraw/zinc/10/44/24/435104424.db2.gz HXMVTMZAULEXAZ-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699724 435106068 /nfs/dbraw/zinc/10/60/68/435106068.db2.gz JUNMTYRDHOVAFW-ZGXWSNOMSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000558699724 435106071 /nfs/dbraw/zinc/10/60/71/435106071.db2.gz JUNMTYRDHOVAFW-ZGXWSNOMSA-N 2 1 316.489 3.474 20 0 DGADMP c1ccc([C@@H]2C[C@H](NCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638863201 435108198 /nfs/dbraw/zinc/10/81/98/435108198.db2.gz LRVKRLCKEVGZGJ-QUCCMNQESA-N 2 1 313.489 3.040 20 0 DGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCC1 ZINC000531677672 435110152 /nfs/dbraw/zinc/11/01/52/435110152.db2.gz KALKYWASUSEGKR-NVXWUHKLSA-N 2 1 321.534 3.205 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531716096 435112800 /nfs/dbraw/zinc/11/28/00/435112800.db2.gz FMLJVIGBACQONB-KDOFPFPSSA-N 2 1 322.880 3.010 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C)c2)[C@@H](C)C1 ZINC000532220112 435149712 /nfs/dbraw/zinc/14/97/12/435149712.db2.gz XEMYPEMHEXNRMA-ICSRJNTNSA-N 2 1 318.505 3.264 20 0 DGADMP C[C@H]1C[NH+](Cc2cncc(C[N@@H+]3C[C@H](C)[C@H](C)C3)c2)C[C@H]1C ZINC000578835135 435113237 /nfs/dbraw/zinc/11/32/37/435113237.db2.gz WXOLZMNMFYSSBL-WNKDZCFJSA-N 2 1 301.478 3.257 20 0 DGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467336556 435118093 /nfs/dbraw/zinc/11/80/93/435118093.db2.gz XHMBDKUQSJZLPG-DLBZAZTESA-N 2 1 310.869 3.083 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000578978873 435124131 /nfs/dbraw/zinc/12/41/31/435124131.db2.gz MCGXCSYZGCRECP-ZDUSSCGKSA-N 2 1 320.868 3.484 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639043832 435133491 /nfs/dbraw/zinc/13/34/91/435133491.db2.gz ARIDDEJUKPUHMT-MJGOQNOKSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639043832 435133495 /nfs/dbraw/zinc/13/34/95/435133495.db2.gz ARIDDEJUKPUHMT-MJGOQNOKSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000579138190 435133986 /nfs/dbraw/zinc/13/39/86/435133986.db2.gz NTSUAAMBENFDJH-OAHLLOKOSA-N 2 1 301.434 3.491 20 0 DGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639074427 435145292 /nfs/dbraw/zinc/14/52/92/435145292.db2.gz PDFNWOMMXLZASG-KVSKMBFKSA-N 2 1 302.462 3.369 20 0 DGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639074427 435145293 /nfs/dbraw/zinc/14/52/93/435145293.db2.gz PDFNWOMMXLZASG-KVSKMBFKSA-N 2 1 302.462 3.369 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000579852669 435187590 /nfs/dbraw/zinc/18/75/90/435187590.db2.gz TUXQDXPTRMZBKB-IAQYHMDHSA-N 2 1 311.267 3.187 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493889829 435192378 /nfs/dbraw/zinc/19/23/78/435192378.db2.gz YTPNHNHPBKGBBP-IEBWSBKVSA-N 2 1 316.489 3.482 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579974435 435197085 /nfs/dbraw/zinc/19/70/85/435197085.db2.gz GAWYYIFEXBAYSH-GOEBONIOSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579974435 435197087 /nfs/dbraw/zinc/19/70/87/435197087.db2.gz GAWYYIFEXBAYSH-GOEBONIOSA-N 2 1 306.450 3.186 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639208816 435199160 /nfs/dbraw/zinc/19/91/60/435199160.db2.gz DSFFKUHRKVANQM-DFQSSKMNSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639208816 435199171 /nfs/dbraw/zinc/19/91/71/435199171.db2.gz DSFFKUHRKVANQM-DFQSSKMNSA-N 2 1 314.473 3.369 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000639209192 435199186 /nfs/dbraw/zinc/19/91/86/435199186.db2.gz OTMJXVOUOMAZRF-QRQLOZEOSA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000639209192 435199189 /nfs/dbraw/zinc/19/91/89/435199189.db2.gz OTMJXVOUOMAZRF-QRQLOZEOSA-N 2 1 316.489 3.494 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639212926 435200175 /nfs/dbraw/zinc/20/01/75/435200175.db2.gz DDYKMSILLSCTQU-ILZDJORESA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639212926 435200178 /nfs/dbraw/zinc/20/01/78/435200178.db2.gz DDYKMSILLSCTQU-ILZDJORESA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639212930 435200947 /nfs/dbraw/zinc/20/09/47/435200947.db2.gz DDYKMSILLSCTQU-QRFRQXIXSA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639212930 435200952 /nfs/dbraw/zinc/20/09/52/435200952.db2.gz DDYKMSILLSCTQU-QRFRQXIXSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474717409 435156560 /nfs/dbraw/zinc/15/65/60/435156560.db2.gz BULYSWDISIWUQJ-RTBURBONSA-N 2 1 309.542 3.064 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@@H]([NH+](C)C)CC1)CC2 ZINC000639105112 435156793 /nfs/dbraw/zinc/15/67/93/435156793.db2.gz RQJCKFNPSVOMSR-NVXWUHKLSA-N 2 1 318.461 3.107 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@@H]([NH+](C)C)CC1)CC2 ZINC000639105112 435156796 /nfs/dbraw/zinc/15/67/96/435156796.db2.gz RQJCKFNPSVOMSR-NVXWUHKLSA-N 2 1 318.461 3.107 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000474715117 435157393 /nfs/dbraw/zinc/15/73/93/435157393.db2.gz PZKWVIHYRXOUDF-BRSBDYLESA-N 2 1 324.509 3.208 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000474715117 435157397 /nfs/dbraw/zinc/15/73/97/435157397.db2.gz PZKWVIHYRXOUDF-BRSBDYLESA-N 2 1 324.509 3.208 20 0 DGADMP CC(C)[C@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474717407 435157534 /nfs/dbraw/zinc/15/75/34/435157534.db2.gz BULYSWDISIWUQJ-OALUTQOASA-N 2 1 309.542 3.064 20 0 DGADMP CCC[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000639114960 435160568 /nfs/dbraw/zinc/16/05/68/435160568.db2.gz QRAQJTMETIRRFB-KRWDZBQOSA-N 2 1 305.466 3.214 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000579601181 435167065 /nfs/dbraw/zinc/16/70/65/435167065.db2.gz BQQNBXOAIAHEIG-HNNXBMFYSA-N 2 1 302.466 3.278 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532525437 435174558 /nfs/dbraw/zinc/17/45/58/435174558.db2.gz WLIBPFHFVFXBFC-IOASZLSFSA-N 2 1 323.868 3.129 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532525437 435174560 /nfs/dbraw/zinc/17/45/60/435174560.db2.gz WLIBPFHFVFXBFC-IOASZLSFSA-N 2 1 323.868 3.129 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000560583013 435182563 /nfs/dbraw/zinc/18/25/63/435182563.db2.gz NLMNGZUGWQBLQU-YZGWKJHDSA-N 2 1 321.553 3.494 20 0 DGADMP CC[C@@](C)(C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1)OC ZINC000639243055 435210285 /nfs/dbraw/zinc/21/02/85/435210285.db2.gz TYYPGUBWXCQHFE-AWEZNQCLSA-N 2 1 310.404 3.150 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)CC(C)C ZINC000561779819 435232901 /nfs/dbraw/zinc/23/29/01/435232901.db2.gz WEAZNZOFXODOIX-GOSISDBHSA-N 2 1 312.542 3.473 20 0 DGADMP C[N@H+]1CC[C@@H](CS[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000580430350 435233132 /nfs/dbraw/zinc/23/31/32/435233132.db2.gz BTLHKITZYLXATE-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H](CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000580430350 435233139 /nfs/dbraw/zinc/23/31/39/435233139.db2.gz BTLHKITZYLXATE-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H](CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580430350 435233143 /nfs/dbraw/zinc/23/31/43/435233143.db2.gz BTLHKITZYLXATE-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000643064109 435264207 /nfs/dbraw/zinc/26/42/07/435264207.db2.gz JERCEYUCOZVQHN-PKOBYXMFSA-N 2 1 302.462 3.146 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000643064107 435264512 /nfs/dbraw/zinc/26/45/12/435264512.db2.gz JERCEYUCOZVQHN-IEBWSBKVSA-N 2 1 302.462 3.146 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000643064108 435264653 /nfs/dbraw/zinc/26/46/53/435264653.db2.gz JERCEYUCOZVQHN-MJGOQNOKSA-N 2 1 302.462 3.146 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000584021349 435265447 /nfs/dbraw/zinc/26/54/47/435265447.db2.gz QBNQLEROJRCWKV-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000639376624 435274010 /nfs/dbraw/zinc/27/40/10/435274010.db2.gz RRQUCXMJNSHOEZ-UHFFFAOYSA-N 2 1 312.461 3.403 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648376999 435279697 /nfs/dbraw/zinc/27/96/97/435279697.db2.gz VPFYGGXXPUEUPN-BXUZGUMPSA-N 2 1 307.825 3.396 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC000477914003 435283633 /nfs/dbraw/zinc/28/36/33/435283633.db2.gz LSNLHNLOEJNVDQ-OAHLLOKOSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cc(C[N@H+](C)[C@@H]2CN3CCC2CC3)ccc1OC(C)C ZINC000639397730 435285585 /nfs/dbraw/zinc/28/55/85/435285585.db2.gz ONGWPHQGEQRBNB-QGZVFWFLSA-N 2 1 318.461 3.008 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)ccc1OC(C)C ZINC000639397730 435285591 /nfs/dbraw/zinc/28/55/91/435285591.db2.gz ONGWPHQGEQRBNB-QGZVFWFLSA-N 2 1 318.461 3.008 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCCC(C)C ZINC000567176084 435294855 /nfs/dbraw/zinc/29/48/55/435294855.db2.gz CZRGIWPGJUHRGN-NVXWUHKLSA-N 2 1 320.477 3.432 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCCC(C)C ZINC000567176084 435294860 /nfs/dbraw/zinc/29/48/60/435294860.db2.gz CZRGIWPGJUHRGN-NVXWUHKLSA-N 2 1 320.477 3.432 20 0 DGADMP CCn1nc(C)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1C ZINC000567224736 435298115 /nfs/dbraw/zinc/29/81/15/435298115.db2.gz VQMHLNYBWVMWMB-UHFFFAOYSA-N 2 1 318.509 3.407 20 0 DGADMP CC(C)(C)[C@@]1(C[NH2+]CC2COC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639354518 435261039 /nfs/dbraw/zinc/26/10/39/435261039.db2.gz IPLGFIQAHOBXSH-HXUWFJFHSA-N 2 1 316.489 3.161 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000639497520 435321251 /nfs/dbraw/zinc/32/12/51/435321251.db2.gz RQODVMXDJPDROV-GOSISDBHSA-N 2 1 301.478 3.457 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000639497520 435321256 /nfs/dbraw/zinc/32/12/56/435321256.db2.gz RQODVMXDJPDROV-GOSISDBHSA-N 2 1 301.478 3.457 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CCCCC2)cc1 ZINC000479288810 435325077 /nfs/dbraw/zinc/32/50/77/435325077.db2.gz VKWJJETVQDFQHI-UXHICEINSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CCCCC2)cc1 ZINC000479288810 435325079 /nfs/dbraw/zinc/32/50/79/435325079.db2.gz VKWJJETVQDFQHI-UXHICEINSA-N 2 1 316.489 3.273 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567523868 435325754 /nfs/dbraw/zinc/32/57/54/435325754.db2.gz SGMFLJIBCQJMQS-UFYCRDLUSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567523868 435325759 /nfs/dbraw/zinc/32/57/59/435325759.db2.gz SGMFLJIBCQJMQS-UFYCRDLUSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523868 435325762 /nfs/dbraw/zinc/32/57/62/435325762.db2.gz SGMFLJIBCQJMQS-UFYCRDLUSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000567523868 435325766 /nfs/dbraw/zinc/32/57/66/435325766.db2.gz SGMFLJIBCQJMQS-UFYCRDLUSA-N 2 1 316.489 3.018 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c2ccccn21 ZINC000567595001 435333204 /nfs/dbraw/zinc/33/32/04/435333204.db2.gz OOMFGPBGXLGPFQ-WBVHZDCISA-N 2 1 314.477 3.230 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c2ccccn21 ZINC000567595001 435333207 /nfs/dbraw/zinc/33/32/07/435333207.db2.gz OOMFGPBGXLGPFQ-WBVHZDCISA-N 2 1 314.477 3.230 20 0 DGADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000643474507 435334016 /nfs/dbraw/zinc/33/40/16/435334016.db2.gz YGKSYUJXQMWAPD-SEVLPDGMSA-N 2 1 324.468 3.234 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CC[C@@H](C)O3)C2)s1 ZINC000567617463 435335369 /nfs/dbraw/zinc/33/53/69/435335369.db2.gz KTCBTUCOGMJOOK-OIISXLGYSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CC[C@@H](C)O3)C2)s1 ZINC000567617463 435335373 /nfs/dbraw/zinc/33/53/73/435335373.db2.gz KTCBTUCOGMJOOK-OIISXLGYSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CC[C@@H](C)O3)C2)s1 ZINC000567617463 435335377 /nfs/dbraw/zinc/33/53/77/435335377.db2.gz KTCBTUCOGMJOOK-OIISXLGYSA-N 2 1 322.518 3.378 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502398 435340012 /nfs/dbraw/zinc/34/00/12/435340012.db2.gz FHILVLJKIMDYHQ-JSGCOSHPSA-N 2 1 300.368 3.368 20 0 DGADMP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000643521409 435340920 /nfs/dbraw/zinc/34/09/20/435340920.db2.gz FJTXASLGNLWYHA-NWDGAFQWSA-N 2 1 312.841 3.150 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1sccc1Br ZINC000643521930 435341421 /nfs/dbraw/zinc/34/14/21/435341421.db2.gz FOBAMLZHGUUIOA-ZJUUUORDSA-N 2 1 303.269 3.303 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000643521615 435341886 /nfs/dbraw/zinc/34/18/86/435341886.db2.gz QFPHEBIHCJOHEG-NEPJUHHUSA-N 2 1 302.340 3.378 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000567678378 435342053 /nfs/dbraw/zinc/34/20/53/435342053.db2.gz RCNFUVQXDMKVEV-IBGZPJMESA-N 2 1 306.494 3.414 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1)CC1CC1 ZINC000639558029 435343094 /nfs/dbraw/zinc/34/30/94/435343094.db2.gz BBSDKVWBNJLUIF-QFBILLFUSA-N 2 1 308.510 3.245 20 0 DGADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000639559155 435344083 /nfs/dbraw/zinc/34/40/83/435344083.db2.gz PDPDRTZAHSBDBV-SJLPKXTDSA-N 2 1 317.477 3.045 20 0 DGADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])s2)cc1 ZINC000643528897 435344833 /nfs/dbraw/zinc/34/48/33/435344833.db2.gz QRXIVLLZSHXCMU-GHMZBOCLSA-N 2 1 305.447 3.125 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000567724026 435346788 /nfs/dbraw/zinc/34/67/88/435346788.db2.gz UEOVBMNRMHBJSE-JTQLQIEISA-N 2 1 303.219 3.238 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000643547044 435348875 /nfs/dbraw/zinc/34/88/75/435348875.db2.gz YXGQVVXRAYHTJU-APWZRJJASA-N 2 1 324.472 3.257 20 0 DGADMP CCCCOCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237570 435350476 /nfs/dbraw/zinc/35/04/76/435350476.db2.gz TWGDIYNNXMTDAU-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CCCCOCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237570 435350484 /nfs/dbraw/zinc/35/04/84/435350484.db2.gz TWGDIYNNXMTDAU-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP CCCCOCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237570 435350492 /nfs/dbraw/zinc/35/04/92/435350492.db2.gz TWGDIYNNXMTDAU-FQEVSTJZSA-N 2 1 316.489 3.401 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)s1 ZINC000643544774 435350546 /nfs/dbraw/zinc/35/05/46/435350546.db2.gz RDJRANDPVNODAW-AEFPCCGESA-N 2 1 305.491 3.256 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000479939752 435358680 /nfs/dbraw/zinc/35/86/80/435358680.db2.gz JNBPNPXUQNUYGK-BETUJISGSA-N 2 1 302.418 3.205 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000479939752 435358688 /nfs/dbraw/zinc/35/86/88/435358688.db2.gz JNBPNPXUQNUYGK-BETUJISGSA-N 2 1 302.418 3.205 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479948189 435359387 /nfs/dbraw/zinc/35/93/87/435359387.db2.gz TWEFEQFJCRAKAS-KDURUIRLSA-N 2 1 308.425 3.013 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479948189 435359394 /nfs/dbraw/zinc/35/93/94/435359394.db2.gz TWEFEQFJCRAKAS-KDURUIRLSA-N 2 1 308.425 3.013 20 0 DGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000536704248 435405788 /nfs/dbraw/zinc/40/57/88/435405788.db2.gz WGYKWEQUMXOGMY-RCCFBDPRSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(-c2ccccc2)c1 ZINC000481029163 435407811 /nfs/dbraw/zinc/40/78/11/435407811.db2.gz ZJMDTCWYQPIBOT-UTKZUKDTSA-N 2 1 324.468 3.461 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000514010063 435409544 /nfs/dbraw/zinc/40/95/44/435409544.db2.gz RZCAFTSLGNNVIG-UHFFFAOYSA-N 2 1 304.478 3.487 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639756576 435409860 /nfs/dbraw/zinc/40/98/60/435409860.db2.gz XKAYHSWWBCYYFA-MRXNPFEDSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000536826479 435414002 /nfs/dbraw/zinc/41/40/02/435414002.db2.gz LGTRBUWGKWLGAK-RAUXBKROSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccncc2)cs1 ZINC000568294846 435422399 /nfs/dbraw/zinc/42/23/99/435422399.db2.gz FVZOPKGVSRVDKI-FPMFFAJLSA-N 2 1 302.447 3.126 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc(C2CCC2)no1 ZINC000639614138 435367886 /nfs/dbraw/zinc/36/78/86/435367886.db2.gz XFKDGBTUMUSSRB-UHFFFAOYSA-N 2 1 317.437 3.008 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000536067750 435368704 /nfs/dbraw/zinc/36/87/04/435368704.db2.gz YJHCUSDUTMJJAV-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@H]1CCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000536067750 435368708 /nfs/dbraw/zinc/36/87/08/435368708.db2.gz YJHCUSDUTMJJAV-LBPRGKRZSA-N 2 1 314.414 3.126 20 0 DGADMP CCCC[C@@H](COC)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480241641 435371101 /nfs/dbraw/zinc/37/11/01/435371101.db2.gz POHHZJSJLOWUIX-IBGZPJMESA-N 2 1 304.478 3.230 20 0 DGADMP CCCC[C@@H](COC)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480241641 435371105 /nfs/dbraw/zinc/37/11/05/435371105.db2.gz POHHZJSJLOWUIX-IBGZPJMESA-N 2 1 304.478 3.230 20 0 DGADMP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000536542468 435388305 /nfs/dbraw/zinc/38/83/05/435388305.db2.gz NJBTVAICHBOOCP-NMWPEEMBSA-N 2 1 302.553 3.028 20 0 DGADMP C[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000536542468 435388310 /nfs/dbraw/zinc/38/83/10/435388310.db2.gz NJBTVAICHBOOCP-NMWPEEMBSA-N 2 1 302.553 3.028 20 0 DGADMP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000643973494 435388906 /nfs/dbraw/zinc/38/89/06/435388906.db2.gz FAFQYXIGXLLIBT-FVQBIDKESA-N 2 1 306.450 3.232 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000513510894 435391738 /nfs/dbraw/zinc/39/17/38/435391738.db2.gz GIFGPSMGTBCCDQ-MJGOQNOKSA-N 2 1 314.473 3.223 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccn2C)C[N@H+]1Cc1ccccc1 ZINC000513544087 435393751 /nfs/dbraw/zinc/39/37/51/435393751.db2.gz CVXBXELYMARMOH-PKOBYXMFSA-N 2 1 311.473 3.415 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644531074 435448571 /nfs/dbraw/zinc/44/85/71/435448571.db2.gz ZDXGOOFGFPBTPM-VQTJNVASSA-N 2 1 318.505 3.285 20 0 DGADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644531075 435449012 /nfs/dbraw/zinc/44/90/12/435449012.db2.gz ZDXGOOFGFPBTPM-WOJBJXKFSA-N 2 1 318.505 3.285 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCCO2)CC1)CC1CC1 ZINC000537848847 435471900 /nfs/dbraw/zinc/47/19/00/435471900.db2.gz BKYIVRJAMQVWOI-LJQANCHMSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000482693410 435478268 /nfs/dbraw/zinc/47/82/68/435478268.db2.gz OXRCQBVYOQHBSN-PKOBYXMFSA-N 2 1 311.473 3.415 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1OC ZINC000644411867 435439705 /nfs/dbraw/zinc/43/97/05/435439705.db2.gz FEQLCCYIJBEODP-GJZGRUSLSA-N 2 1 308.466 3.160 20 0 DGADMP CCC1([NH+]2CCCC2)CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000639987570 435481891 /nfs/dbraw/zinc/48/18/91/435481891.db2.gz DZZLPWNXHLAPJW-GOSISDBHSA-N 3 1 307.526 3.201 20 0 DGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000482891974 435486802 /nfs/dbraw/zinc/48/68/02/435486802.db2.gz SQBZONUECYUSMH-SOLBZPMBSA-N 2 1 319.493 3.325 20 0 DGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000482891974 435486806 /nfs/dbraw/zinc/48/68/06/435486806.db2.gz SQBZONUECYUSMH-SOLBZPMBSA-N 2 1 319.493 3.325 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](CCOCc2ccc(OC)cc2)CC1 ZINC000640017334 435491629 /nfs/dbraw/zinc/49/16/29/435491629.db2.gz DNGBATJMOBNURY-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C23CCCCC3)C1 ZINC000538396815 435497027 /nfs/dbraw/zinc/49/70/27/435497027.db2.gz CQWBUJXXWXRJCO-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C23CCCCC3)C1 ZINC000538396816 435497248 /nfs/dbraw/zinc/49/72/48/435497248.db2.gz CQWBUJXXWXRJCO-KZNAEPCWSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000569026266 435497575 /nfs/dbraw/zinc/49/75/75/435497575.db2.gz LFIYLNYVDZTZFA-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000569026266 435497581 /nfs/dbraw/zinc/49/75/81/435497581.db2.gz LFIYLNYVDZTZFA-VQTJNVASSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000483170393 435500264 /nfs/dbraw/zinc/50/02/64/435500264.db2.gz RLQXEGBWOBPPPY-SZMVWBNQSA-N 2 1 319.468 3.033 20 0 DGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000483170393 435500269 /nfs/dbraw/zinc/50/02/69/435500269.db2.gz RLQXEGBWOBPPPY-SZMVWBNQSA-N 2 1 319.468 3.033 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000483195591 435501787 /nfs/dbraw/zinc/50/17/87/435501787.db2.gz BYXYJKLXLHGDCE-ZWKOTPCHSA-N 2 1 304.478 3.489 20 0 DGADMP CC[NH+]1CCC([NH2+]CCOc2cccc(Cl)c2Cl)CC1 ZINC000539308884 435547206 /nfs/dbraw/zinc/54/72/06/435547206.db2.gz LSFCZRVCKOAPFM-UHFFFAOYSA-N 2 1 317.260 3.446 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(OCC2CC2)c1 ZINC000484599203 435549175 /nfs/dbraw/zinc/54/91/75/435549175.db2.gz BUGPTKCCBRFCBV-CRAIPNDOSA-N 2 1 302.462 3.214 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(OCC2CC2)c1 ZINC000484599203 435549179 /nfs/dbraw/zinc/54/91/79/435549179.db2.gz BUGPTKCCBRFCBV-CRAIPNDOSA-N 2 1 302.462 3.214 20 0 DGADMP CN(c1ccccc1)c1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000569668121 435550776 /nfs/dbraw/zinc/55/07/76/435550776.db2.gz PGQFVOGFHVRVHF-SFHVURJKSA-N 2 1 324.472 3.281 20 0 DGADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000569668121 435550784 /nfs/dbraw/zinc/55/07/84/435550784.db2.gz PGQFVOGFHVRVHF-SFHVURJKSA-N 2 1 324.472 3.281 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000539816380 435570434 /nfs/dbraw/zinc/57/04/34/435570434.db2.gz XAGBUJCUXRMYCN-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000539816380 435570435 /nfs/dbraw/zinc/57/04/35/435570435.db2.gz XAGBUJCUXRMYCN-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)[nH+]1 ZINC000539816380 435570440 /nfs/dbraw/zinc/57/04/40/435570440.db2.gz XAGBUJCUXRMYCN-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)[nH+]1 ZINC000539816380 435570443 /nfs/dbraw/zinc/57/04/43/435570443.db2.gz XAGBUJCUXRMYCN-MRXNPFEDSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000517078126 435575793 /nfs/dbraw/zinc/57/57/93/435575793.db2.gz NKISNSDGSYOPLH-IRXDYDNUSA-N 2 1 317.477 3.034 20 0 DGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000539076890 435538254 /nfs/dbraw/zinc/53/82/54/435538254.db2.gz CNMFQDBJZKIHMF-GJZGRUSLSA-N 2 1 301.434 3.495 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000539122063 435539018 /nfs/dbraw/zinc/53/90/18/435539018.db2.gz COQNLIXZDXMLTN-YSVLISHTSA-N 2 1 310.869 3.427 20 0 DGADMP CC[N@@H+](C[C@@H](OC)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000644924995 435541886 /nfs/dbraw/zinc/54/18/86/435541886.db2.gz CYLRMEYEACUNAJ-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@@H](OC)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644924995 435541890 /nfs/dbraw/zinc/54/18/90/435541890.db2.gz CYLRMEYEACUNAJ-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP CC[NH+](C[C@@H](OC)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644924995 435541895 /nfs/dbraw/zinc/54/18/95/435541895.db2.gz CYLRMEYEACUNAJ-AZUAARDMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000539220428 435542747 /nfs/dbraw/zinc/54/27/47/435542747.db2.gz BLYSLCNSSHMSQC-ROUUACIJSA-N 2 1 309.542 3.161 20 0 DGADMP CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(Cl)cn1 ZINC000516670682 435544924 /nfs/dbraw/zinc/54/49/24/435544924.db2.gz JZAVNTUMRFAHGE-UHFFFAOYSA-N 2 1 307.825 3.282 20 0 DGADMP CN(CCC[N@H+](C)Cc1ccc(Cl)cn1)Cc1ccco1 ZINC000516670682 435544927 /nfs/dbraw/zinc/54/49/27/435544927.db2.gz JZAVNTUMRFAHGE-UHFFFAOYSA-N 2 1 307.825 3.282 20 0 DGADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)cn1)Cc1ccco1 ZINC000516670682 435544929 /nfs/dbraw/zinc/54/49/29/435544929.db2.gz JZAVNTUMRFAHGE-UHFFFAOYSA-N 2 1 307.825 3.282 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000570341315 435609799 /nfs/dbraw/zinc/60/97/99/435609799.db2.gz GBDKVGIJQBNSMQ-HNNXBMFYSA-N 2 1 323.868 3.063 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000570341315 435609805 /nfs/dbraw/zinc/60/98/05/435609805.db2.gz GBDKVGIJQBNSMQ-HNNXBMFYSA-N 2 1 323.868 3.063 20 0 DGADMP FC(F)(F)c1cccc(CCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000517936075 435619304 /nfs/dbraw/zinc/61/93/04/435619304.db2.gz PUZLTPBURXRLDQ-GASCZTMLSA-N 2 1 312.379 3.179 20 0 DGADMP CC[C@@H](OCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548247 435621936 /nfs/dbraw/zinc/62/19/36/435621936.db2.gz QZPDQFBMMFAUON-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000649548247 435621942 /nfs/dbraw/zinc/62/19/42/435621942.db2.gz QZPDQFBMMFAUON-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000649548247 435621945 /nfs/dbraw/zinc/62/19/45/435621945.db2.gz QZPDQFBMMFAUON-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000649548247 435621949 /nfs/dbraw/zinc/62/19/49/435621949.db2.gz QZPDQFBMMFAUON-IEBWSBKVSA-N 2 1 304.478 3.428 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000570495316 435624563 /nfs/dbraw/zinc/62/45/63/435624563.db2.gz SUODEVIRYCRVOX-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP CCCOc1ccc(CNC[C@H]2CCC[N@H+]2C)c(OCCC)c1 ZINC000518277665 435631650 /nfs/dbraw/zinc/63/16/50/435631650.db2.gz ZXBFEGMHRUDLIP-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP C[N@@H+](Cc1ccccc1NC(=O)C[NH2+]C1CC1)C1CCCCC1 ZINC000517407633 435595611 /nfs/dbraw/zinc/59/56/11/435595611.db2.gz JXZDIIKBLAUPPF-UHFFFAOYSA-N 2 1 315.461 3.142 20 0 DGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccoc2)no1 ZINC000640532112 435598204 /nfs/dbraw/zinc/59/82/04/435598204.db2.gz WUIBUZSWSQXNDR-UHFFFAOYSA-N 2 1 318.421 3.028 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccoc2)no1 ZINC000640532112 435598208 /nfs/dbraw/zinc/59/82/08/435598208.db2.gz WUIBUZSWSQXNDR-UHFFFAOYSA-N 2 1 318.421 3.028 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000570289639 435606900 /nfs/dbraw/zinc/60/69/00/435606900.db2.gz GXAHGQSMEJSBMO-IEBWSBKVSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000570289639 435606903 /nfs/dbraw/zinc/60/69/03/435606903.db2.gz GXAHGQSMEJSBMO-IEBWSBKVSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000570289639 435606907 /nfs/dbraw/zinc/60/69/07/435606907.db2.gz GXAHGQSMEJSBMO-IEBWSBKVSA-N 2 1 304.478 3.143 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1cccc(C)c1C ZINC000570289638 435607146 /nfs/dbraw/zinc/60/71/46/435607146.db2.gz GXAHGQSMEJSBMO-HKUYNNGSSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000570289638 435607149 /nfs/dbraw/zinc/60/71/49/435607149.db2.gz GXAHGQSMEJSBMO-HKUYNNGSSA-N 2 1 304.478 3.143 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000570289638 435607153 /nfs/dbraw/zinc/60/71/53/435607153.db2.gz GXAHGQSMEJSBMO-HKUYNNGSSA-N 2 1 304.478 3.143 20 0 DGADMP CC[C@@H](OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617511 435644091 /nfs/dbraw/zinc/64/40/91/435644091.db2.gz LZSKTLBHUOIYAB-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@@H](OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617511 435644094 /nfs/dbraw/zinc/64/40/94/435644094.db2.gz LZSKTLBHUOIYAB-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000649617511 435644097 /nfs/dbraw/zinc/64/40/97/435644097.db2.gz LZSKTLBHUOIYAB-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@@H](OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000649617511 435644101 /nfs/dbraw/zinc/64/41/01/435644101.db2.gz LZSKTLBHUOIYAB-RTBURBONSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617510 435644851 /nfs/dbraw/zinc/64/48/51/435644851.db2.gz LZSKTLBHUOIYAB-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000649617510 435644856 /nfs/dbraw/zinc/64/48/56/435644856.db2.gz LZSKTLBHUOIYAB-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000649617510 435644861 /nfs/dbraw/zinc/64/48/61/435644861.db2.gz LZSKTLBHUOIYAB-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000649617510 435644866 /nfs/dbraw/zinc/64/48/66/435644866.db2.gz LZSKTLBHUOIYAB-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCC(C(F)(F)F)CC1 ZINC000570760029 435648549 /nfs/dbraw/zinc/64/85/49/435648549.db2.gz XUGDVZGASJLZJI-HIFPTAJRSA-N 2 1 303.372 3.309 20 0 DGADMP CC[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000519161851 435672921 /nfs/dbraw/zinc/67/29/21/435672921.db2.gz QIECVRZPOZYJMD-HOTGVXAUSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000519161851 435672925 /nfs/dbraw/zinc/67/29/25/435672925.db2.gz QIECVRZPOZYJMD-HOTGVXAUSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000519161851 435672930 /nfs/dbraw/zinc/67/29/30/435672930.db2.gz QIECVRZPOZYJMD-HOTGVXAUSA-N 2 1 310.507 3.235 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668418 435697991 /nfs/dbraw/zinc/69/79/91/435697991.db2.gz IUJXPKUGZJXNKG-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(Br)c2)C1 ZINC000519668418 435697994 /nfs/dbraw/zinc/69/79/94/435697994.db2.gz IUJXPKUGZJXNKG-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000519668418 435697997 /nfs/dbraw/zinc/69/79/97/435697997.db2.gz IUJXPKUGZJXNKG-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@@H+](CCC[C@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000645810960 435696954 /nfs/dbraw/zinc/69/69/54/435696954.db2.gz NABHGMDPGJWJJT-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@H]1CCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000645810960 435696964 /nfs/dbraw/zinc/69/69/64/435696964.db2.gz NABHGMDPGJWJJT-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@H]1CCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000645810960 435696969 /nfs/dbraw/zinc/69/69/69/435696969.db2.gz NABHGMDPGJWJJT-VQTJNVASSA-N 2 1 316.489 3.257 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000571261857 435692691 /nfs/dbraw/zinc/69/26/91/435692691.db2.gz OFILZPLEPRCTKS-UHFFFAOYSA-N 2 1 301.478 3.123 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2)C1 ZINC000519668418 435697989 /nfs/dbraw/zinc/69/79/89/435697989.db2.gz IUJXPKUGZJXNKG-GDBMZVCRSA-N 2 1 323.278 3.365 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701066 435701689 /nfs/dbraw/zinc/70/16/89/435701689.db2.gz CNFSBCPHPDTEMV-BXUZGUMPSA-N 2 1 305.809 3.307 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000519701066 435701691 /nfs/dbraw/zinc/70/16/91/435701691.db2.gz CNFSBCPHPDTEMV-BXUZGUMPSA-N 2 1 305.809 3.307 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cccc(OCc2ccccc2F)c1 ZINC000571403407 435703659 /nfs/dbraw/zinc/70/36/59/435703659.db2.gz IUEUPOLDVUZCKJ-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP CCCn1cc[nH+]c1CCCN(C)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660415988 435734617 /nfs/dbraw/zinc/73/46/17/435734617.db2.gz CBCQCRCLWRHCEE-ROUUACIJSA-N 2 1 320.525 3.135 20 0 DGADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655708131 435738910 /nfs/dbraw/zinc/73/89/10/435738910.db2.gz DWYBKUPYNGWWRH-LJQANCHMSA-N 2 1 316.489 3.116 20 0 DGADMP CO[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCC1 ZINC000660433765 435739519 /nfs/dbraw/zinc/73/95/19/435739519.db2.gz AGUKYPBXJNRARF-GOSISDBHSA-N 2 1 317.477 3.214 20 0 DGADMP CO[C@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C1CCC1 ZINC000660431193 435741585 /nfs/dbraw/zinc/74/15/85/435741585.db2.gz RDPXBAPFQLXCSL-GOSISDBHSA-N 2 1 304.434 3.048 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000549137503 435744812 /nfs/dbraw/zinc/74/48/12/435744812.db2.gz UEVXBWLSZHNUMB-ZWKOTPCHSA-N 2 1 306.494 3.429 20 0 DGADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000549137491 435745216 /nfs/dbraw/zinc/74/52/16/435745216.db2.gz UEVXBWLSZHNUMB-MSOLQXFVSA-N 2 1 306.494 3.429 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000655719374 435748680 /nfs/dbraw/zinc/74/86/80/435748680.db2.gz RXCVFEXCXUJIKV-OXFYSEKESA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000655719374 435748688 /nfs/dbraw/zinc/74/86/88/435748688.db2.gz RXCVFEXCXUJIKV-OXFYSEKESA-N 2 1 324.472 3.346 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000660452204 435751013 /nfs/dbraw/zinc/75/10/13/435751013.db2.gz CPLUULPOBADDGX-GOSISDBHSA-N 2 1 324.896 3.221 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000549236513 435751030 /nfs/dbraw/zinc/75/10/30/435751030.db2.gz BWEWECRLAQEPGU-PVAVHDDUSA-N 2 1 304.503 3.381 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000549236513 435751037 /nfs/dbraw/zinc/75/10/37/435751037.db2.gz BWEWECRLAQEPGU-PVAVHDDUSA-N 2 1 304.503 3.381 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000660452204 435751015 /nfs/dbraw/zinc/75/10/15/435751015.db2.gz CPLUULPOBADDGX-GOSISDBHSA-N 2 1 324.896 3.221 20 0 DGADMP CC[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655726820 435753448 /nfs/dbraw/zinc/75/34/48/435753448.db2.gz PYTZEKZAWQSKDI-YJBOKZPZSA-N 2 1 324.415 3.259 20 0 DGADMP Cc1cc(Cl)cc(CNC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000571898540 435754154 /nfs/dbraw/zinc/75/41/54/435754154.db2.gz CKWNQMOJVMKMCJ-QGZVFWFLSA-N 2 1 310.869 3.095 20 0 DGADMP CC(C)c1[nH+]c(CN2CCC[N@@H+](C(C)C)CC2)c2ccccn21 ZINC000571930180 435759724 /nfs/dbraw/zinc/75/97/24/435759724.db2.gz RITPCMGSPPDVNI-UHFFFAOYSA-N 2 1 314.477 3.374 20 0 DGADMP CC(C)c1[nH+]c(CN2CCC[N@H+](C(C)C)CC2)c2ccccn21 ZINC000571930180 435759730 /nfs/dbraw/zinc/75/97/30/435759730.db2.gz RITPCMGSPPDVNI-UHFFFAOYSA-N 2 1 314.477 3.374 20 0 DGADMP Cc1cc(C)c(Cn2cc(C[NH2+]C3CCCCC3)nn2)c(C)[nH+]1 ZINC000641187468 435715363 /nfs/dbraw/zinc/71/53/63/435715363.db2.gz LHXXWXHVQMXZKC-UHFFFAOYSA-N 2 1 313.449 3.069 20 0 DGADMP C[NH+](C)CCCCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000548782489 435720046 /nfs/dbraw/zinc/72/00/46/435720046.db2.gz YBKKFBJLKHYEHN-UHFFFAOYSA-N 2 1 311.857 3.072 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccn21 ZINC000651680328 435789385 /nfs/dbraw/zinc/78/93/85/435789385.db2.gz HBJNCCADWIJDHA-CVEARBPZSA-N 2 1 312.461 3.174 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccn21 ZINC000651680328 435789390 /nfs/dbraw/zinc/78/93/90/435789390.db2.gz HBJNCCADWIJDHA-CVEARBPZSA-N 2 1 312.461 3.174 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655773355 435789487 /nfs/dbraw/zinc/78/94/87/435789487.db2.gz WXEADJJNXJOYFF-ZIFCJYIRSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655775740 435790318 /nfs/dbraw/zinc/79/03/18/435790318.db2.gz CSORFKPXJPVIBI-KSZLIROESA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn21 ZINC000651680330 435790661 /nfs/dbraw/zinc/79/06/61/435790661.db2.gz HBJNCCADWIJDHA-HZPDHXFCSA-N 2 1 312.461 3.174 20 0 DGADMP CC(C)c1[nH+]c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn21 ZINC000651680330 435790665 /nfs/dbraw/zinc/79/06/65/435790665.db2.gz HBJNCCADWIJDHA-HZPDHXFCSA-N 2 1 312.461 3.174 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccncc2N)cc1 ZINC000641707316 435792273 /nfs/dbraw/zinc/79/22/73/435792273.db2.gz JARAGDDKNHZZRS-INIZCTEOSA-N 2 1 324.472 3.328 20 0 DGADMP CCn1cc(CNC[C@@H]2CCC[N@@H+]2CC)c(-c2ccccc2)n1 ZINC000641703437 435793125 /nfs/dbraw/zinc/79/31/25/435793125.db2.gz SIBBPYNVDMRUFB-SFHVURJKSA-N 2 1 312.461 3.144 20 0 DGADMP CCn1cc(CNC[C@@H]2CCC[N@H+]2CC)c(-c2ccccc2)n1 ZINC000641703437 435793133 /nfs/dbraw/zinc/79/31/33/435793133.db2.gz SIBBPYNVDMRUFB-SFHVURJKSA-N 2 1 312.461 3.144 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641776434 435819200 /nfs/dbraw/zinc/81/92/00/435819200.db2.gz YWQIYPFZYXQFSC-HXUWFJFHSA-N 2 1 315.505 3.145 20 0 DGADMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551029708 435820312 /nfs/dbraw/zinc/82/03/12/435820312.db2.gz PHOGMSPYESRCAB-AQNXPRMDSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000660475400 435764529 /nfs/dbraw/zinc/76/45/29/435764529.db2.gz RLWJHUDPHDBLRM-FQEVSTJZSA-N 2 1 316.489 3.497 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C[NH+](C)C ZINC000491594008 435777997 /nfs/dbraw/zinc/77/79/97/435777997.db2.gz LRBRTNZUQBYOCC-SNVBAGLBSA-N 2 1 306.784 3.229 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccn21 ZINC000651644288 435778592 /nfs/dbraw/zinc/77/85/92/435778592.db2.gz MBQWZBQSTVQGPW-CVEARBPZSA-N 2 1 312.461 3.126 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccn21 ZINC000651644288 435778600 /nfs/dbraw/zinc/77/86/00/435778600.db2.gz MBQWZBQSTVQGPW-CVEARBPZSA-N 2 1 312.461 3.126 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000520839589 435778676 /nfs/dbraw/zinc/77/86/76/435778676.db2.gz KTXTZVXERPTRAG-GOSISDBHSA-N 2 1 322.880 3.335 20 0 DGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000655758636 435779776 /nfs/dbraw/zinc/77/97/76/435779776.db2.gz CCINAZYSXCLAMR-IEBWSBKVSA-N 2 1 316.489 3.381 20 0 DGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000655758638 435781580 /nfs/dbraw/zinc/78/15/80/435781580.db2.gz CCINAZYSXCLAMR-PKOBYXMFSA-N 2 1 316.489 3.381 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103573 435782729 /nfs/dbraw/zinc/78/27/29/435782729.db2.gz JPDHUADPEDTUHA-AWEZNQCLSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103573 435782735 /nfs/dbraw/zinc/78/27/35/435782735.db2.gz JPDHUADPEDTUHA-AWEZNQCLSA-N 2 1 308.853 3.198 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1C ZINC000655764753 435783136 /nfs/dbraw/zinc/78/31/36/435783136.db2.gz QTANYFKBMMJRRP-YWTNHNAXSA-N 2 1 308.510 3.292 20 0 DGADMP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655763088 435784848 /nfs/dbraw/zinc/78/48/48/435784848.db2.gz KMXPPUKNJFWWKO-ZBFHGGJFSA-N 2 1 316.436 3.045 20 0 DGADMP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655763087 435784865 /nfs/dbraw/zinc/78/48/65/435784865.db2.gz KMXPPUKNJFWWKO-HOCLYGCPSA-N 2 1 316.436 3.045 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651678179 435787008 /nfs/dbraw/zinc/78/70/08/435787008.db2.gz FFNDTJMIGXNMPY-OAHLLOKOSA-N 2 1 301.434 3.430 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C ZINC000641806279 435828775 /nfs/dbraw/zinc/82/87/75/435828775.db2.gz ILMUXQKSNJUIAC-MCIONIFRSA-N 2 1 323.868 3.116 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C ZINC000641806279 435828779 /nfs/dbraw/zinc/82/87/79/435828779.db2.gz ILMUXQKSNJUIAC-MCIONIFRSA-N 2 1 323.868 3.116 20 0 DGADMP COCC1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000655836017 435829615 /nfs/dbraw/zinc/82/96/15/435829615.db2.gz ARNDJZXVDJQRDX-UHFFFAOYSA-N 2 1 304.478 3.161 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000641809926 435830651 /nfs/dbraw/zinc/83/06/51/435830651.db2.gz ZCBBILNMBUZONJ-MSOLQXFVSA-N 2 1 323.440 3.154 20 0 DGADMP CCc1cccc(OCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660652787 435841125 /nfs/dbraw/zinc/84/11/25/435841125.db2.gz MCEXNTRTNDQTPN-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660652787 435841135 /nfs/dbraw/zinc/84/11/35/435841135.db2.gz MCEXNTRTNDQTPN-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660652787 435841142 /nfs/dbraw/zinc/84/11/42/435841142.db2.gz MCEXNTRTNDQTPN-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP CCc1cccc(OCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660652787 435841150 /nfs/dbraw/zinc/84/11/50/435841150.db2.gz MCEXNTRTNDQTPN-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658854 435841401 /nfs/dbraw/zinc/84/14/01/435841401.db2.gz KOXIDDAHXRFNGB-LJQANCHMSA-N 2 1 302.462 3.182 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(OC(F)F)cc1)C2 ZINC000660655455 435841615 /nfs/dbraw/zinc/84/16/15/435841615.db2.gz NKLKNYWRPVTFCM-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655455 435841621 /nfs/dbraw/zinc/84/16/21/435841621.db2.gz NKLKNYWRPVTFCM-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655455 435841627 /nfs/dbraw/zinc/84/16/27/435841627.db2.gz NKLKNYWRPVTFCM-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655455 435841634 /nfs/dbraw/zinc/84/16/34/435841634.db2.gz NKLKNYWRPVTFCM-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000660655455 435841640 /nfs/dbraw/zinc/84/16/40/435841640.db2.gz NKLKNYWRPVTFCM-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1coc(-c3ccccc3)n1)C2 ZINC000660656140 435843971 /nfs/dbraw/zinc/84/39/71/435843971.db2.gz QDJMGUWBPTVZII-IBGZPJMESA-N 2 1 311.429 3.259 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660663581 435848115 /nfs/dbraw/zinc/84/81/15/435848115.db2.gz OHIVZROHFATIRW-APWZRJJASA-N 2 1 302.462 3.216 20 0 DGADMP C[C@H](CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC000660662353 435848736 /nfs/dbraw/zinc/84/87/36/435848736.db2.gz IRANSQQVTSZTEW-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659788 435848922 /nfs/dbraw/zinc/84/89/22/435848922.db2.gz QXUIPEDUQVRPIA-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659788 435848926 /nfs/dbraw/zinc/84/89/26/435848926.db2.gz QXUIPEDUQVRPIA-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659788 435848933 /nfs/dbraw/zinc/84/89/33/435848933.db2.gz QXUIPEDUQVRPIA-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000660659788 435848940 /nfs/dbraw/zinc/84/89/40/435848940.db2.gz QXUIPEDUQVRPIA-KRWDZBQOSA-N 2 1 310.388 3.206 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000651866131 435850571 /nfs/dbraw/zinc/85/05/71/435850571.db2.gz VYPYECTYCTXKKK-UHFFFAOYSA-N 2 1 303.425 3.441 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000651866131 435850575 /nfs/dbraw/zinc/85/05/75/435850575.db2.gz VYPYECTYCTXKKK-UHFFFAOYSA-N 2 1 303.425 3.441 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000651865769 435851215 /nfs/dbraw/zinc/85/12/15/435851215.db2.gz HFNBZFNJCAGWGI-HNNXBMFYSA-N 2 1 323.456 3.110 20 0 DGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866101 435851791 /nfs/dbraw/zinc/85/17/91/435851791.db2.gz URYQQOHKVCHIFW-QGZVFWFLSA-N 2 1 319.493 3.280 20 0 DGADMP CC[N@@H+](CCCNC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000651910058 435862466 /nfs/dbraw/zinc/86/24/66/435862466.db2.gz FSGIJMQJZKGYQN-UHFFFAOYSA-N 2 1 321.553 3.495 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000655941696 435865492 /nfs/dbraw/zinc/86/54/92/435865492.db2.gz ZOOWIXBYDMSEEA-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000655941696 435865499 /nfs/dbraw/zinc/86/54/99/435865499.db2.gz ZOOWIXBYDMSEEA-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]1CCSCC[NH+]1CCCC[N@@H+]1CCSCC[C@@H]1C ZINC000551985830 435866759 /nfs/dbraw/zinc/86/67/59/435866759.db2.gz DETQQBHDSINIGM-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1CCSCC[N@H+]1CCCC[NH+]1CCSCC[C@@H]1C ZINC000551985830 435866764 /nfs/dbraw/zinc/86/67/64/435866764.db2.gz DETQQBHDSINIGM-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP C[C@@H]1CCSCC[N@@H+]1CCCC[NH+]1CCSCC[C@@H]1C ZINC000551985830 435866770 /nfs/dbraw/zinc/86/67/70/435866770.db2.gz DETQQBHDSINIGM-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP COCc1ccccc1/C=C(/C)CNCC[N@@H+]1CC[C@@H](C)C1 ZINC000552009572 435871152 /nfs/dbraw/zinc/87/11/52/435871152.db2.gz OJRQWRVVYWPEBH-WISAJEAXSA-N 2 1 302.462 3.168 20 0 DGADMP COCc1ccccc1/C=C(/C)CNCC[N@H+]1CC[C@@H](C)C1 ZINC000552009572 435871157 /nfs/dbraw/zinc/87/11/57/435871157.db2.gz OJRQWRVVYWPEBH-WISAJEAXSA-N 2 1 302.462 3.168 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551198313 435825251 /nfs/dbraw/zinc/82/52/51/435825251.db2.gz MBLBGRRNZVGRKE-ROUUACIJSA-N 2 1 304.478 3.474 20 0 DGADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551198313 435825257 /nfs/dbraw/zinc/82/52/57/435825257.db2.gz MBLBGRRNZVGRKE-ROUUACIJSA-N 2 1 304.478 3.474 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641799587 435826975 /nfs/dbraw/zinc/82/69/75/435826975.db2.gz XXCBXVRZXPPLEI-SJPCQFCGSA-N 2 1 311.429 3.365 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000572471405 435826912 /nfs/dbraw/zinc/82/69/12/435826912.db2.gz VPQSFHKETFEMQY-QFBILLFUSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000572471405 435826925 /nfs/dbraw/zinc/82/69/25/435826925.db2.gz VPQSFHKETFEMQY-QFBILLFUSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000572471405 435826932 /nfs/dbraw/zinc/82/69/32/435826932.db2.gz VPQSFHKETFEMQY-QFBILLFUSA-N 2 1 304.478 3.493 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641799587 435826981 /nfs/dbraw/zinc/82/69/81/435826981.db2.gz XXCBXVRZXPPLEI-SJPCQFCGSA-N 2 1 311.429 3.365 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651983201 435882721 /nfs/dbraw/zinc/88/27/21/435882721.db2.gz SGBBWBIGZPDRLL-MBOZVWFJSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651983201 435882727 /nfs/dbraw/zinc/88/27/27/435882727.db2.gz SGBBWBIGZPDRLL-MBOZVWFJSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193059 435909412 /nfs/dbraw/zinc/90/94/12/435909412.db2.gz LAYGVFMGNNFXCP-LSTHTHJFSA-N 2 1 315.505 3.421 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000652142893 435913618 /nfs/dbraw/zinc/91/36/18/435913618.db2.gz HRIYVWIRFNFRLR-LJQANCHMSA-N 2 1 322.468 3.349 20 0 DGADMP COc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccn2)cc1 ZINC000652173801 435920389 /nfs/dbraw/zinc/92/03/89/435920389.db2.gz YUPNLDSMVHSSAS-FQEVSTJZSA-N 2 1 323.440 3.031 20 0 DGADMP COc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccn2)cc1 ZINC000652173801 435920394 /nfs/dbraw/zinc/92/03/94/435920394.db2.gz YUPNLDSMVHSSAS-FQEVSTJZSA-N 2 1 323.440 3.031 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CCCC1 ZINC000665246602 435928274 /nfs/dbraw/zinc/92/82/74/435928274.db2.gz JMCWUSARZCVEEI-AWEZNQCLSA-N 2 1 309.251 3.298 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250665 435928466 /nfs/dbraw/zinc/92/84/66/435928466.db2.gz YVLIKASABDUVTK-CWFSZBLJSA-N 2 1 312.432 3.492 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]2CC)cc1 ZINC000665255538 435931035 /nfs/dbraw/zinc/93/10/35/435931035.db2.gz VTQJEINZBDOOGM-FDPIWHGQSA-N 2 1 302.462 3.309 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCC2CC2)cc1F ZINC000665259313 435931735 /nfs/dbraw/zinc/93/17/35/435931735.db2.gz BEGFKMGMJPEIQQ-SKDZVZGDSA-N 2 1 320.452 3.448 20 0 DGADMP c1cn(-c2csc(C[N@H+]3CCC[C@H](OC4CCC4)C3)c2)cn1 ZINC000656271710 435931780 /nfs/dbraw/zinc/93/17/80/435931780.db2.gz KIQRZMUIVPRWJH-INIZCTEOSA-N 2 1 317.458 3.467 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC2CC2)cc1F ZINC000665259451 435932270 /nfs/dbraw/zinc/93/22/70/435932270.db2.gz GMOROJFQTSDWTP-NUTKFTJISA-N 2 1 306.425 3.058 20 0 DGADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000665258644 435932991 /nfs/dbraw/zinc/93/29/91/435932991.db2.gz HGNANIWEBLSITK-UNLQRWGISA-N 2 1 320.452 3.066 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647174643 435961020 /nfs/dbraw/zinc/96/10/20/435961020.db2.gz HSPWNNXZUWNLRP-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccccc3C)c2)C1 ZINC000647174643 435961023 /nfs/dbraw/zinc/96/10/23/435961023.db2.gz HSPWNNXZUWNLRP-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661196078 435994427 /nfs/dbraw/zinc/99/44/27/435994427.db2.gz AVXHIUKPCYOVIG-SFHVURJKSA-N 2 1 313.445 3.261 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661196078 435994428 /nfs/dbraw/zinc/99/44/28/435994428.db2.gz AVXHIUKPCYOVIG-SFHVURJKSA-N 2 1 313.445 3.261 20 0 DGADMP Clc1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000656499343 435961758 /nfs/dbraw/zinc/96/17/58/435961758.db2.gz DUPJSVTYJIZBDE-SFHVURJKSA-N 2 1 322.880 3.116 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706261 435994698 /nfs/dbraw/zinc/99/46/98/435994698.db2.gz HOHMQMBWJPOHSL-IPMKNSEASA-N 2 1 302.462 3.022 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000650706968 435994839 /nfs/dbraw/zinc/99/48/39/435994839.db2.gz WDJFORCINJAHPC-OUCADQQQSA-N 2 1 314.882 3.120 20 0 DGADMP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000647244983 435989872 /nfs/dbraw/zinc/98/98/72/435989872.db2.gz MQSDXDVQAHLHBK-XLIONFOSSA-N 2 1 318.505 3.080 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280483 435937930 /nfs/dbraw/zinc/93/79/30/435937930.db2.gz CXWZORLTLXTTER-KBXCAEBGSA-N 3 1 300.450 3.205 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000665281229 435938572 /nfs/dbraw/zinc/93/85/72/435938572.db2.gz XVMMDMSMPKNPGY-WCQYABFASA-N 2 1 308.857 3.251 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249173 435993893 /nfs/dbraw/zinc/99/38/93/435993893.db2.gz HCMIGYFYEJGZDE-FUMNGEBKSA-N 2 1 316.489 3.125 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299485 435943992 /nfs/dbraw/zinc/94/39/92/435943992.db2.gz OABHLNDDHDPJAF-QRQLOZEOSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299485 435943997 /nfs/dbraw/zinc/94/39/97/435943997.db2.gz OABHLNDDHDPJAF-QRQLOZEOSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299485 435944003 /nfs/dbraw/zinc/94/40/03/435944003.db2.gz OABHLNDDHDPJAF-QRQLOZEOSA-N 3 1 307.526 3.009 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348493 435955973 /nfs/dbraw/zinc/95/59/73/435955973.db2.gz GDORNSJQDDXXBM-JCHJZTRSSA-N 2 1 320.452 3.495 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000652348194 435957705 /nfs/dbraw/zinc/95/77/05/435957705.db2.gz XEVYHBMHMZVUOP-HNJRGHQBSA-N 2 1 314.473 3.282 20 0 DGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349139 435957735 /nfs/dbraw/zinc/95/77/35/435957735.db2.gz BXCUTOWZEIUJMF-XIRDDKMYSA-N 2 1 320.502 3.127 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710213 435997772 /nfs/dbraw/zinc/99/77/72/435997772.db2.gz HWSRAQNJBUMAND-RCCFBDPRSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)[C@H]1CC[NH3+] ZINC000650711334 435999187 /nfs/dbraw/zinc/99/91/87/435999187.db2.gz PYLPKWJTXRSZPB-RISCZKNCSA-N 2 1 316.367 3.376 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)[C@H]1CC[NH3+] ZINC000650711544 435999491 /nfs/dbraw/zinc/99/94/91/435999491.db2.gz WQLAIUCKYAIEIW-DOMZBBRYSA-N 2 1 320.868 3.176 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)[C@H]1CC[NH3+] ZINC000650711544 435999495 /nfs/dbraw/zinc/99/94/95/435999495.db2.gz WQLAIUCKYAIEIW-DOMZBBRYSA-N 2 1 320.868 3.176 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CNc4ccccc4C3)CC[NH2+]2)cc1 ZINC000650715180 436000509 /nfs/dbraw/zinc/00/05/09/436000509.db2.gz SMZHCKRXAHPMQY-NSHGMRRFSA-N 2 1 307.441 3.106 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000650715106 436000695 /nfs/dbraw/zinc/00/06/95/436000695.db2.gz PGYXAJMVAIIOGK-QZTJIDSGSA-N 2 1 302.462 3.092 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000650719189 436004236 /nfs/dbraw/zinc/00/42/36/436004236.db2.gz HCUGTZZJCHXDRR-UHFFFAOYSA-N 2 1 301.459 3.031 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000650722528 436005097 /nfs/dbraw/zinc/00/50/97/436005097.db2.gz WAOGBLGTRIDENE-OIISXLGYSA-N 2 1 308.853 3.201 20 0 DGADMP CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722054 436005223 /nfs/dbraw/zinc/00/52/23/436005223.db2.gz JQONSBVODRSGPT-FVQBIDKESA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722054 436005226 /nfs/dbraw/zinc/00/52/26/436005226.db2.gz JQONSBVODRSGPT-FVQBIDKESA-N 2 1 323.506 3.127 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650722266 436005585 /nfs/dbraw/zinc/00/55/85/436005585.db2.gz OFEUNDIEPSMNHT-AQNXPRMDSA-N 2 1 316.489 3.473 20 0 DGADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccncc1 ZINC000647301329 436007106 /nfs/dbraw/zinc/00/71/06/436007106.db2.gz FHQMKFKGTVQFMX-HKUYNNGSSA-N 2 1 319.493 3.259 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000656693399 436012505 /nfs/dbraw/zinc/01/25/05/436012505.db2.gz GFFOLMHUVHCVDB-NVXWUHKLSA-N 2 1 300.446 3.192 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000656693399 436012512 /nfs/dbraw/zinc/01/25/12/436012512.db2.gz GFFOLMHUVHCVDB-NVXWUHKLSA-N 2 1 300.446 3.192 20 0 DGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742104 436014219 /nfs/dbraw/zinc/01/42/19/436014219.db2.gz QZLROANEASHNTH-CHWSQXEVSA-N 2 1 303.381 3.228 20 0 DGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1C(C)(C)C ZINC000650754667 436018768 /nfs/dbraw/zinc/01/87/68/436018768.db2.gz OBTRMNVHTFRGGP-GFCCVEGCSA-N 2 1 318.440 3.395 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCCC1 ZINC000647343846 436025605 /nfs/dbraw/zinc/02/56/05/436025605.db2.gz DFJUXKSQHKUWDM-UHOSZYNNSA-N 2 1 316.489 3.269 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344608 436026259 /nfs/dbraw/zinc/02/62/59/436026259.db2.gz VIRDAADJWSEMCY-YDZRNGNQSA-N 2 1 316.489 3.125 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344606 436026668 /nfs/dbraw/zinc/02/66/68/436026668.db2.gz VIRDAADJWSEMCY-HCXYKTFWSA-N 2 1 316.489 3.125 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)CC2)[C@@H](C)C1 ZINC000647349217 436027552 /nfs/dbraw/zinc/02/75/52/436027552.db2.gz DVFYRFOXOLJHHI-FCCDEINASA-N 2 1 314.489 3.241 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782738 436043765 /nfs/dbraw/zinc/04/37/65/436043765.db2.gz JMYZWFVURYVPJS-HNNXBMFYSA-N 2 1 319.518 3.234 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656786586 436045299 /nfs/dbraw/zinc/04/52/99/436045299.db2.gz UYTWOQKGPLPCPT-INIZCTEOSA-N 2 1 306.425 3.046 20 0 DGADMP CCCc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650708181 435995373 /nfs/dbraw/zinc/99/53/73/435995373.db2.gz UZVHZGMPPXCZLG-SLFFLAALSA-N 2 1 316.489 3.357 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708179 435995808 /nfs/dbraw/zinc/99/58/08/435995808.db2.gz UWPYKTKRZPTIPT-RYQLBKOJSA-N 2 1 322.880 3.367 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000650705551 435996606 /nfs/dbraw/zinc/99/66/06/435996606.db2.gz LFNYZMOUPXEGOO-OIISXLGYSA-N 2 1 308.853 3.058 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1OCC1CC1)C2 ZINC000650708501 435996683 /nfs/dbraw/zinc/99/66/83/435996683.db2.gz AQDWIAWFKXEMAV-HKUYNNGSSA-N 2 1 300.446 3.036 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647479504 436059884 /nfs/dbraw/zinc/05/98/84/436059884.db2.gz JRWIGZWAFWDUDF-IEBWSBKVSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480347 436060747 /nfs/dbraw/zinc/06/07/47/436060747.db2.gz KIEMXDKIVYHFTJ-WMZOPIPTSA-N 2 1 318.509 3.219 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480347 436060751 /nfs/dbraw/zinc/06/07/51/436060751.db2.gz KIEMXDKIVYHFTJ-WMZOPIPTSA-N 2 1 318.509 3.219 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000647496726 436066382 /nfs/dbraw/zinc/06/63/82/436066382.db2.gz IWNVSTSBULXZHE-ZMSDIMECSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498780 436066576 /nfs/dbraw/zinc/06/65/76/436066576.db2.gz QMSRXVIBHGQYBT-CABCVRRESA-N 2 1 312.404 3.464 20 0 DGADMP CCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498524 436066786 /nfs/dbraw/zinc/06/67/86/436066786.db2.gz JNGAWEYDLKNJMV-CVEARBPZSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498524 436066790 /nfs/dbraw/zinc/06/67/90/436066790.db2.gz JNGAWEYDLKNJMV-CVEARBPZSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506491 436069675 /nfs/dbraw/zinc/06/96/75/436069675.db2.gz JFCGPJPWMQYNNC-JVGQSUMCSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CCO1 ZINC000647506491 436069680 /nfs/dbraw/zinc/06/96/80/436069680.db2.gz JFCGPJPWMQYNNC-JVGQSUMCSA-N 2 1 302.462 3.008 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543435 436078340 /nfs/dbraw/zinc/07/83/40/436078340.db2.gz NIBULINFVSVODJ-RBUKOAKNSA-N 2 1 301.478 3.034 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccnc2c1 ZINC000647544056 436078561 /nfs/dbraw/zinc/07/85/61/436078561.db2.gz VWUZPTUCPINTEC-SJORKVTESA-N 2 1 309.457 3.446 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000647544147 436078626 /nfs/dbraw/zinc/07/86/26/436078626.db2.gz XIUWDSDYZLCXKQ-RBUKOAKNSA-N 2 1 324.472 3.084 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647543599 436078723 /nfs/dbraw/zinc/07/87/23/436078723.db2.gz PYLUNEVPOXTRGU-ROUUACIJSA-N 2 1 302.462 3.215 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542890 436078848 /nfs/dbraw/zinc/07/88/48/436078848.db2.gz DKDIQTXKRXGKFQ-KZNAEPCWSA-N 2 1 314.473 3.264 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543995 436078974 /nfs/dbraw/zinc/07/89/74/436078974.db2.gz VJBMSPRZUAFXAJ-RBUKOAKNSA-N 2 1 324.472 3.084 20 0 DGADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551111 436083496 /nfs/dbraw/zinc/08/34/96/436083496.db2.gz YHQMDHYXJANHTR-IUODEOHRSA-N 2 1 312.379 3.325 20 0 DGADMP C[C@H](NCc1cnc2n1CCC2)c1cccc(OC(F)F)c1 ZINC000657310710 436128277 /nfs/dbraw/zinc/12/82/77/436128277.db2.gz RNLLOENJIAAKOU-NSHDSACASA-N 2 1 307.344 3.282 20 0 DGADMP Brc1cccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647874981 436139162 /nfs/dbraw/zinc/13/91/62/436139162.db2.gz OTBSVACLXCMYFK-CYBMUJFWSA-N 2 1 309.251 3.023 20 0 DGADMP COCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000647879500 436140678 /nfs/dbraw/zinc/14/06/78/436140678.db2.gz BLNVHOITNSGRDK-KRWDZBQOSA-N 2 1 304.478 3.476 20 0 DGADMP COc1ccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)CC(C)(C)C)cc1 ZINC000647885887 436142500 /nfs/dbraw/zinc/14/25/00/436142500.db2.gz FYEXJZVOXRZPCY-KRWDZBQOSA-N 2 1 304.478 3.195 20 0 DGADMP Cn1ncc(C2CC2)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000657298883 436121969 /nfs/dbraw/zinc/12/19/69/436121969.db2.gz RIEPAUOHBRVJRK-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP Cn1ncc(C2CC2)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000657298883 436121974 /nfs/dbraw/zinc/12/19/74/436121974.db2.gz RIEPAUOHBRVJRK-UHFFFAOYSA-N 2 1 304.482 3.042 20 0 DGADMP FC(F)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647797114 436123080 /nfs/dbraw/zinc/12/30/80/436123080.db2.gz ZFZGBDRUAGASNS-SLEUVZQESA-N 2 1 314.807 3.410 20 0 DGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977730 436167283 /nfs/dbraw/zinc/16/72/83/436167283.db2.gz GTIDYFCVGLFTAV-GJZGRUSLSA-N 2 1 305.466 3.184 20 0 DGADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975746 436167635 /nfs/dbraw/zinc/16/76/35/436167635.db2.gz FLOIWHFERVXBHT-KFWWJZLASA-N 2 1 320.481 3.140 20 0 DGADMP Cc1c[nH]c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000657414610 436187828 /nfs/dbraw/zinc/18/78/28/436187828.db2.gz CSKANZJDQLMKGJ-WMZOPIPTSA-N 2 1 312.461 3.108 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000657526166 436235899 /nfs/dbraw/zinc/23/58/99/436235899.db2.gz BMXZKKLLGKGWLY-SFHVURJKSA-N 2 1 307.526 3.246 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530334 436236992 /nfs/dbraw/zinc/23/69/92/436236992.db2.gz AXPOVQILNKOSJZ-ROUUACIJSA-N 2 1 314.473 3.341 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000657530334 436236995 /nfs/dbraw/zinc/23/69/95/436236995.db2.gz AXPOVQILNKOSJZ-ROUUACIJSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000657533064 436237235 /nfs/dbraw/zinc/23/72/35/436237235.db2.gz NZMSUKPZQHJMCE-KRWDZBQOSA-N 2 1 309.457 3.439 20 0 DGADMP C[NH+](C)CCc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000653511012 436190362 /nfs/dbraw/zinc/19/03/62/436190362.db2.gz UGHHWFYBBNELPL-UHFFFAOYSA-N 2 1 324.468 3.290 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC2(CCCC2)O1 ZINC000648077461 436204058 /nfs/dbraw/zinc/20/40/58/436204058.db2.gz QZYFYPLJWXKUFU-CQSZACIVSA-N 2 1 317.458 3.467 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661845775 436206057 /nfs/dbraw/zinc/20/60/57/436206057.db2.gz VVKYDFOIGKMTDY-JKSUJKDBSA-N 2 1 305.466 3.298 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563577 436207600 /nfs/dbraw/zinc/20/76/00/436207600.db2.gz UDKTVJOUHIBRQU-KEYYUXOJSA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563577 436207604 /nfs/dbraw/zinc/20/76/04/436207604.db2.gz UDKTVJOUHIBRQU-KEYYUXOJSA-N 2 1 312.885 3.076 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563577 436207609 /nfs/dbraw/zinc/20/76/09/436207609.db2.gz UDKTVJOUHIBRQU-KEYYUXOJSA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563577 436207615 /nfs/dbraw/zinc/20/76/15/436207615.db2.gz UDKTVJOUHIBRQU-KEYYUXOJSA-N 2 1 312.885 3.076 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000653563577 436207616 /nfs/dbraw/zinc/20/76/16/436207616.db2.gz UDKTVJOUHIBRQU-KEYYUXOJSA-N 2 1 312.885 3.076 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661846527 436208582 /nfs/dbraw/zinc/20/85/82/436208582.db2.gz VBQXGUZVHMSLJR-JKSUJKDBSA-N 2 1 305.466 3.069 20 0 DGADMP Cc1ccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)[nH]c2c1 ZINC000657449190 436208839 /nfs/dbraw/zinc/20/88/39/436208839.db2.gz QWIXFRJRGAIFGB-INIZCTEOSA-N 2 1 315.461 3.067 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000653589084 436216165 /nfs/dbraw/zinc/21/61/65/436216165.db2.gz XLWGPDPJBLTGGB-OAHLLOKOSA-N 2 1 319.836 3.159 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000653589084 436216169 /nfs/dbraw/zinc/21/61/69/436216169.db2.gz XLWGPDPJBLTGGB-OAHLLOKOSA-N 2 1 319.836 3.159 20 0 DGADMP Fc1cc(F)c2c(c1)[C@@H](NCc1cnc3n1CCC3)CCC2 ZINC000657476197 436218248 /nfs/dbraw/zinc/21/82/48/436218248.db2.gz CIKAFYYSZFBSQY-INIZCTEOSA-N 2 1 303.356 3.275 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000657522152 436232152 /nfs/dbraw/zinc/23/21/52/436232152.db2.gz ADNRUFLHFPIQQU-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000657734742 436289778 /nfs/dbraw/zinc/28/97/78/436289778.db2.gz TYFNKKPKDQEXLU-BWTSREIZSA-N 2 1 302.437 3.221 20 0 DGADMP Clc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000666856461 436294767 /nfs/dbraw/zinc/29/47/67/436294767.db2.gz JOERSOMOJFYDLU-GFCCVEGCSA-N 2 1 317.658 3.334 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000662031758 436252499 /nfs/dbraw/zinc/25/24/99/436252499.db2.gz UTMRAOPYQZNKAF-UXHICEINSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC[NH2+]1 ZINC000666617795 436254752 /nfs/dbraw/zinc/25/47/52/436254752.db2.gz BOCUACTWFQRHRX-PMPSAXMXSA-N 2 1 313.445 3.395 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@@H](C)C1 ZINC000657596192 436256688 /nfs/dbraw/zinc/25/66/88/436256688.db2.gz MCCLNQIPRSQTOF-GIYDNNGJSA-N 2 1 316.489 3.168 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594808 436257272 /nfs/dbraw/zinc/25/72/72/436257272.db2.gz CTCVTPQULWNVOL-MOPGFXCFSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+]C1CC(CF)(CF)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657968557 436348405 /nfs/dbraw/zinc/34/84/05/436348405.db2.gz BQYHTZMNFOLPJO-KBPBESRZSA-N 2 1 300.437 3.317 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657997321 436351851 /nfs/dbraw/zinc/35/18/51/436351851.db2.gz BQDLNAMONUMODK-SJLPKXTDSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCOCC3)C3(CCC3)C2)cc1 ZINC000657772457 436301465 /nfs/dbraw/zinc/30/14/65/436301465.db2.gz NGJYUBLOSJPESC-SFHVURJKSA-N 2 1 314.473 3.057 20 0 DGADMP c1ccc(C[C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662251837 436314018 /nfs/dbraw/zinc/31/40/18/436314018.db2.gz KBVRSUMOAOBJBD-GOSISDBHSA-N 2 1 306.453 3.397 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000662254376 436314130 /nfs/dbraw/zinc/31/41/30/436314130.db2.gz PSGFSRCKVAPNKY-IIBYNOLFSA-N 2 1 322.452 3.294 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCSc3ccc(F)cc3F)C[C@@H]21 ZINC000662267154 436317038 /nfs/dbraw/zinc/31/70/38/436317038.db2.gz SSDAOEJBXWYDHJ-CORIIIEPSA-N 2 1 312.429 3.116 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968958 436317842 /nfs/dbraw/zinc/31/78/42/436317842.db2.gz NOVXHSGFMOCGAE-JZXOWHBKSA-N 2 1 300.446 3.017 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000657834100 436321588 /nfs/dbraw/zinc/32/15/88/436321588.db2.gz CZDNRUMDGDFTPU-SFHVURJKSA-N 2 1 312.461 3.348 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCc1nsc2ccccc21)C1CCCCC1 ZINC000662276731 436321800 /nfs/dbraw/zinc/32/18/00/436321800.db2.gz LRNCDKZZBKAMBF-MRXNPFEDSA-N 2 1 303.475 3.336 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657836996 436322195 /nfs/dbraw/zinc/32/21/95/436322195.db2.gz WQZGPEICDPJFAG-SFHVURJKSA-N 2 1 302.462 3.328 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657834098 436322207 /nfs/dbraw/zinc/32/22/07/436322207.db2.gz CZDNRUMDGDFTPU-GOSISDBHSA-N 2 1 312.461 3.348 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000662274387 436322466 /nfs/dbraw/zinc/32/24/66/436322466.db2.gz SVBWJDNPMZCFIA-CEXWTWQISA-N 2 1 302.462 3.086 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000662274109 436322546 /nfs/dbraw/zinc/32/25/46/436322546.db2.gz DCNPFUGMNHGFFW-GJZGRUSLSA-N 2 1 308.466 3.239 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998263 436322533 /nfs/dbraw/zinc/32/25/33/436322533.db2.gz KGFFRYOFLLAPOB-QGZVFWFLSA-N 2 1 324.472 3.253 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000662274630 436322587 /nfs/dbraw/zinc/32/25/87/436322587.db2.gz YFIKBIKXCKMAHS-CYBMUJFWSA-N 2 1 300.418 3.260 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCSc1ccc(F)cc1F ZINC000662274630 436322589 /nfs/dbraw/zinc/32/25/89/436322589.db2.gz YFIKBIKXCKMAHS-CYBMUJFWSA-N 2 1 300.418 3.260 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657840858 436323537 /nfs/dbraw/zinc/32/35/37/436323537.db2.gz WZAJXBWNSIDKRF-LJQANCHMSA-N 2 1 314.473 3.261 20 0 DGADMP C[C@H]1CC2(C[N@H+]1CCSc1ccc(F)cc1)CC[NH2+]CC2 ZINC000662282664 436324303 /nfs/dbraw/zinc/32/43/03/436324303.db2.gz IRASGOCZBMWPMC-AWEZNQCLSA-N 2 1 308.466 3.382 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CC[NH2+]C2)cc1 ZINC000662304503 436327269 /nfs/dbraw/zinc/32/72/69/436327269.db2.gz KUAMZBYVAAYWFS-IAZCMVOBSA-N 2 1 300.446 3.060 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)[C@@H]1CCC[NH3+] ZINC000662313183 436329075 /nfs/dbraw/zinc/32/90/75/436329075.db2.gz GBFJDWPNGVLVOO-UKRRQHHQSA-N 2 1 303.406 3.274 20 0 DGADMP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1Br ZINC000667030395 436329382 /nfs/dbraw/zinc/32/93/82/436329382.db2.gz YHXKYEPMQLWMMP-OLZOCXBDSA-N 2 1 311.267 3.235 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCCCO3)C1)C[NH2+]CC2 ZINC000662315776 436329614 /nfs/dbraw/zinc/32/96/14/436329614.db2.gz SEZXGXPLEQCSNJ-ICSRJNTNSA-N 2 1 314.473 3.113 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657869184 436329814 /nfs/dbraw/zinc/32/98/14/436329814.db2.gz ZJFAIQDKEOILQO-OALUTQOASA-N 2 1 318.530 3.426 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000657868523 436330163 /nfs/dbraw/zinc/33/01/63/436330163.db2.gz VCDXVDASPCQECK-HKUYNNGSSA-N 2 1 316.489 3.098 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](CCCc2ccccc2Cl)CCO1 ZINC000662326438 436331256 /nfs/dbraw/zinc/33/12/56/436331256.db2.gz ZTERYSWLWKLQBG-KRWDZBQOSA-N 2 1 324.896 3.315 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCc2ccccc2Cl)CCO1 ZINC000662326438 436331260 /nfs/dbraw/zinc/33/12/60/436331260.db2.gz ZTERYSWLWKLQBG-KRWDZBQOSA-N 2 1 324.896 3.315 20 0 DGADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CC2CCCC2)CC1 ZINC000662326887 436331472 /nfs/dbraw/zinc/33/14/72/436331472.db2.gz GIFBLVFNKUJWSP-UHFFFAOYSA-N 2 1 316.493 3.246 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000662335698 436333329 /nfs/dbraw/zinc/33/33/29/436333329.db2.gz OZQJXDLFGXNRIQ-LNLFQRSKSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657901485 436336202 /nfs/dbraw/zinc/33/62/02/436336202.db2.gz UJIRCYZMVHUCRG-NZSAHSFTSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657901485 436336205 /nfs/dbraw/zinc/33/62/05/436336205.db2.gz UJIRCYZMVHUCRG-NZSAHSFTSA-N 2 1 314.473 3.198 20 0 DGADMP COC1([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657899200 436337233 /nfs/dbraw/zinc/33/72/33/436337233.db2.gz IGBPKQAEGUTHQU-SJORKVTESA-N 2 1 304.478 3.444 20 0 DGADMP C[N@@H+](Cc1ccccc1NC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000662660082 436376838 /nfs/dbraw/zinc/37/68/38/436376838.db2.gz BKYRECDTTOFCCQ-UHFFFAOYSA-N 2 1 315.461 3.271 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@H]2CCC[C@H]21 ZINC000658129638 436383226 /nfs/dbraw/zinc/38/32/26/436383226.db2.gz VPEMOAJYTAIWFL-YZGWKJHDSA-N 2 1 309.457 3.240 20 0 DGADMP C[C@H]1CC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)C1 ZINC000658127599 436383254 /nfs/dbraw/zinc/38/32/54/436383254.db2.gz NQKUMUOHWXJKJD-GPMSIDNRSA-N 2 1 308.510 3.292 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136313 436384898 /nfs/dbraw/zinc/38/48/98/436384898.db2.gz HSPKTKYTXGGOOX-YJBOKZPZSA-N 2 1 304.478 3.168 20 0 DGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135875 436385427 /nfs/dbraw/zinc/38/54/27/436385427.db2.gz FPGYXORWEUGSGC-OTWHNJEPSA-N 2 1 316.489 3.168 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)C1 ZINC000658138363 436385527 /nfs/dbraw/zinc/38/55/27/436385527.db2.gz MMKMHOYITNETBQ-RTBURBONSA-N 2 1 314.473 3.066 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142886 436387816 /nfs/dbraw/zinc/38/78/16/436387816.db2.gz ZNMYAIWYVFDDOD-HSALFYBXSA-N 2 1 316.489 3.312 20 0 DGADMP OCCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000662923676 436401702 /nfs/dbraw/zinc/40/17/02/436401702.db2.gz UDZHYBAVSWEYSL-UHFFFAOYSA-N 2 1 302.462 3.019 20 0 DGADMP COC[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663065367 436410832 /nfs/dbraw/zinc/41/08/32/436410832.db2.gz BCXKELPCVXSGCF-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658218557 436402033 /nfs/dbraw/zinc/40/20/33/436402033.db2.gz JDBKXIPWDIKCKJ-HNBVOPMISA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229845 436406332 /nfs/dbraw/zinc/40/63/32/436406332.db2.gz IJRKCPTVXVEAOJ-MUDKKEKZSA-N 2 1 306.494 3.187 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229845 436406337 /nfs/dbraw/zinc/40/63/37/436406337.db2.gz IJRKCPTVXVEAOJ-MUDKKEKZSA-N 2 1 306.494 3.187 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000658231979 436407116 /nfs/dbraw/zinc/40/71/16/436407116.db2.gz XMBTZAJUIHEHLT-DOTOQJQBSA-N 2 1 317.477 3.018 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000658231979 436407117 /nfs/dbraw/zinc/40/71/17/436407117.db2.gz XMBTZAJUIHEHLT-DOTOQJQBSA-N 2 1 317.477 3.018 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCOC3)C3(CCC3)C2)cc1 ZINC000658319957 436429471 /nfs/dbraw/zinc/42/94/71/436429471.db2.gz KMUWLXKSCVFDMI-MOPGFXCFSA-N 2 1 314.473 3.057 20 0 DGADMP CC(C)c1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000663314534 436437547 /nfs/dbraw/zinc/43/75/47/436437547.db2.gz AANKGUZLFNOKII-UHFFFAOYSA-N 2 1 317.521 3.173 20 0 DGADMP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663345569 436443400 /nfs/dbraw/zinc/44/34/00/436443400.db2.gz LDRHRPWYLHOKHB-IBGZPJMESA-N 2 1 302.462 3.045 20 0 DGADMP FC(F)Oc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347642 436443790 /nfs/dbraw/zinc/44/37/90/436443790.db2.gz REEAXMFTBCFJSY-INIZCTEOSA-N 2 1 324.415 3.500 20 0 DGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466486 436463235 /nfs/dbraw/zinc/46/32/35/436463235.db2.gz UNQNSOASUASDAK-DOTOQJQBSA-N 2 1 304.453 3.468 20 0 DGADMP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466340 436463432 /nfs/dbraw/zinc/46/34/32/436463432.db2.gz RIGLOAABARAIOD-WTGUMLROSA-N 2 1 320.521 3.293 20 0 DGADMP Fc1cncc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466703 436465524 /nfs/dbraw/zinc/46/55/24/436465524.db2.gz XFXKDVFVFQHCAD-DNVCBOLYSA-N 2 1 317.452 3.383 20 0 DGADMP Fc1cncc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466703 436465526 /nfs/dbraw/zinc/46/55/26/436465526.db2.gz XFXKDVFVFQHCAD-DNVCBOLYSA-N 2 1 317.452 3.383 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658288261 436418219 /nfs/dbraw/zinc/41/82/19/436418219.db2.gz SDUOJCGBBWPQNJ-YTQUADARSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn[nH]c1 ZINC000658319292 436428783 /nfs/dbraw/zinc/42/87/83/436428783.db2.gz ZAIZTQCYGMOMRS-APWZRJJASA-N 2 1 324.472 3.363 20 0 DGADMP C[C@]1(CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663832105 436515995 /nfs/dbraw/zinc/51/59/95/436515995.db2.gz AMBPZEGHLMLUTD-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP COc1ccc(-c2nc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cs2)cc1 ZINC000663499357 436470179 /nfs/dbraw/zinc/47/01/79/436470179.db2.gz YSJYMSQCTCQKPT-MRXNPFEDSA-N 2 1 319.474 3.282 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663672146 436489822 /nfs/dbraw/zinc/48/98/22/436489822.db2.gz VROFFILNSKBKCV-INIZCTEOSA-N 2 1 306.413 3.274 20 0 DGADMP CCN(Cc1cn(C)cn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659868586 436549885 /nfs/dbraw/zinc/54/98/85/436549885.db2.gz PKCMUOGRQLNKJS-QFBILLFUSA-N 2 1 312.461 3.078 20 0 DGADMP Cc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc2c1 ZINC000426023815 301921438 /nfs/dbraw/zinc/92/14/38/301921438.db2.gz UXBCNLASCJKBEX-JKSUJKDBSA-N 2 1 315.461 3.028 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1COC(C)(C)C1 ZINC000659970291 436569754 /nfs/dbraw/zinc/56/97/54/436569754.db2.gz IUIROIUOFGGNTP-QZTJIDSGSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1COC(C)(C)C1 ZINC000659970291 436569757 /nfs/dbraw/zinc/56/97/57/436569757.db2.gz IUIROIUOFGGNTP-QZTJIDSGSA-N 2 1 302.462 3.008 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1COC(C)(C)C1 ZINC000659970291 436569761 /nfs/dbraw/zinc/56/97/61/436569761.db2.gz IUIROIUOFGGNTP-QZTJIDSGSA-N 2 1 302.462 3.008 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659982072 436572430 /nfs/dbraw/zinc/57/24/30/436572430.db2.gz DSDCFXXROMEQAW-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2cccc(OC)c2)C1 ZINC000659982072 436572434 /nfs/dbraw/zinc/57/24/34/436572434.db2.gz DSDCFXXROMEQAW-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000659982072 436572437 /nfs/dbraw/zinc/57/24/37/436572437.db2.gz DSDCFXXROMEQAW-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000659982072 436572439 /nfs/dbraw/zinc/57/24/39/436572439.db2.gz DSDCFXXROMEQAW-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000655689636 436575627 /nfs/dbraw/zinc/57/56/27/436575627.db2.gz IFYCSJCLBUXTMD-HNNXBMFYSA-N 2 1 312.461 3.476 20 0 DGADMP c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000655692056 436575729 /nfs/dbraw/zinc/57/57/29/436575729.db2.gz CZIKKBHEAGSSCV-SFHVURJKSA-N 2 1 310.445 3.104 20 0 DGADMP CN(Cc1cncs1)[C@H]1CCC[N@H+](Cc2cncs2)CC1 ZINC000660126546 436593194 /nfs/dbraw/zinc/59/31/94/436593194.db2.gz XFLDGAZRCGGIIX-ZDUSSCGKSA-N 2 1 322.503 3.086 20 0 DGADMP CN(Cc1cncs1)[C@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000660126546 436593199 /nfs/dbraw/zinc/59/31/99/436593199.db2.gz XFLDGAZRCGGIIX-ZDUSSCGKSA-N 2 1 322.503 3.086 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189419 436602235 /nfs/dbraw/zinc/60/22/35/436602235.db2.gz ZYPTVCLKZLWZON-MOPGFXCFSA-N 2 1 322.468 3.348 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189419 436602237 /nfs/dbraw/zinc/60/22/37/436602237.db2.gz ZYPTVCLKZLWZON-MOPGFXCFSA-N 2 1 322.468 3.348 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)c1ccccc1 ZINC000660210995 436606771 /nfs/dbraw/zinc/60/67/71/436606771.db2.gz HHPBODDWJGGDLD-MSOLQXFVSA-N 2 1 306.494 3.034 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212526 436606978 /nfs/dbraw/zinc/60/69/78/436606978.db2.gz LDXXNBZIVKCARF-XFKAJCMBSA-N 2 1 324.896 3.328 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000660212526 436606979 /nfs/dbraw/zinc/60/69/79/436606979.db2.gz LDXXNBZIVKCARF-XFKAJCMBSA-N 2 1 324.896 3.328 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000660265609 436615934 /nfs/dbraw/zinc/61/59/34/436615934.db2.gz IFRVLXKNKIYDKY-UKRRQHHQSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000660265609 436615936 /nfs/dbraw/zinc/61/59/36/436615936.db2.gz IFRVLXKNKIYDKY-UKRRQHHQSA-N 2 1 306.475 3.253 20 0 DGADMP Cc1ccccc1OCCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287144 302107016 /nfs/dbraw/zinc/10/70/16/302107016.db2.gz IQRNIZNUQKTEOO-QGZVFWFLSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1 ZINC000166266685 312692784 /nfs/dbraw/zinc/69/27/84/312692784.db2.gz QQSVYJAJLXWRAW-KUHUBIRLSA-N 2 1 312.461 3.172 20 0 DGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000377091395 313015677 /nfs/dbraw/zinc/01/56/77/313015677.db2.gz DKRMDSUZDIRARN-GOSISDBHSA-N 2 1 316.493 3.184 20 0 DGADMP CC[N@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000530218835 313341490 /nfs/dbraw/zinc/34/14/90/313341490.db2.gz NKTQWRPHOQHBOV-CYBMUJFWSA-N 2 1 301.356 3.064 20 0 DGADMP CC[N@@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000530218835 313341494 /nfs/dbraw/zinc/34/14/94/313341494.db2.gz NKTQWRPHOQHBOV-CYBMUJFWSA-N 2 1 301.356 3.064 20 0 DGADMP [NH3+]CCC[N@H+](Cc1cccnc1C(F)(F)F)CC1CCCC1 ZINC000530216756 313341604 /nfs/dbraw/zinc/34/16/04/313341604.db2.gz DQDQQVLDVXDHGC-UHFFFAOYSA-N 2 1 315.383 3.441 20 0 DGADMP COc1cccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2(C)C)c1 ZINC000530230107 313343579 /nfs/dbraw/zinc/34/35/79/313343579.db2.gz CXHFOHKCBFRJGP-MAUKXSAKSA-N 2 1 302.462 3.120 20 0 DGADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCCO2 ZINC000530354895 313360313 /nfs/dbraw/zinc/36/03/13/313360313.db2.gz BNLVYBMLCWZYOZ-INIZCTEOSA-N 2 1 319.836 3.428 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000530442589 313370320 /nfs/dbraw/zinc/37/03/20/313370320.db2.gz JZSPGQRADSJFCG-UHFFFAOYSA-N 2 1 322.456 3.204 20 0 DGADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000542819921 314101261 /nfs/dbraw/zinc/10/12/61/314101261.db2.gz NWTBTEXQXUGPAG-PKOBYXMFSA-N 2 1 318.505 3.237 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503229 314374013 /nfs/dbraw/zinc/37/40/13/314374013.db2.gz JSXKDYYGNSNHKV-RAUXBKROSA-N 2 1 318.505 3.284 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000555511923 314726140 /nfs/dbraw/zinc/72/61/40/314726140.db2.gz YTBCERXXPVPCCG-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP FC(F)Oc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000556775015 314774243 /nfs/dbraw/zinc/77/42/43/314774243.db2.gz HPJZJXHSISPWCY-UHFFFAOYSA-N 2 1 310.388 3.047 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381962 315016146 /nfs/dbraw/zinc/01/61/46/315016146.db2.gz XXUBANJIAODPQO-PMACEKPBSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000562381962 315016149 /nfs/dbraw/zinc/01/61/49/315016149.db2.gz XXUBANJIAODPQO-PMACEKPBSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614062 315035939 /nfs/dbraw/zinc/03/59/39/315035939.db2.gz LSGFLKDRYREYOG-NQIIRXRSSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614062 315035941 /nfs/dbraw/zinc/03/59/41/315035941.db2.gz LSGFLKDRYREYOG-NQIIRXRSSA-N 2 1 324.468 3.017 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000564327372 315169793 /nfs/dbraw/zinc/16/97/93/315169793.db2.gz ZSAMHUGEGTWEJK-DYVFJYSZSA-N 2 1 306.498 3.027 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000564327372 315169794 /nfs/dbraw/zinc/16/97/94/315169794.db2.gz ZSAMHUGEGTWEJK-DYVFJYSZSA-N 2 1 306.498 3.027 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000564793505 315200159 /nfs/dbraw/zinc/20/01/59/315200159.db2.gz WDNRKDSYNCNTLC-QGTPRVQTSA-N 2 1 321.896 3.194 20 0 DGADMP [NH3+]C[C@H](C[N@H+]1CC[C@H](Oc2ccccc2)C1)c1ccc(F)cc1 ZINC000564988495 315217513 /nfs/dbraw/zinc/21/75/13/315217513.db2.gz AGUTWLVVTKMGKQ-APWZRJJASA-N 2 1 314.404 3.021 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000565096518 315229715 /nfs/dbraw/zinc/22/97/15/315229715.db2.gz SQFOQBIAJQNJJL-UHFFFAOYSA-N 2 1 317.477 3.118 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566089666 315311298 /nfs/dbraw/zinc/31/12/98/315311298.db2.gz GGMIYTXONVOSIG-FHLIZLRMSA-N 2 1 321.896 3.065 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCCOC3)C2)s1 ZINC000566306725 315333570 /nfs/dbraw/zinc/33/35/70/315333570.db2.gz WWEURBIEVRKDQE-IAGOWNOFSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCOC3)C2)s1 ZINC000566306725 315333572 /nfs/dbraw/zinc/33/35/72/315333572.db2.gz WWEURBIEVRKDQE-IAGOWNOFSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCOC3)C2)s1 ZINC000566306725 315333576 /nfs/dbraw/zinc/33/35/76/315333576.db2.gz WWEURBIEVRKDQE-IAGOWNOFSA-N 2 1 322.518 3.237 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000566411743 315342200 /nfs/dbraw/zinc/34/22/00/315342200.db2.gz JOMDAPWGZYHUJX-RDJZCZTQSA-N 2 1 320.440 3.337 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)c1 ZINC000566678495 315366864 /nfs/dbraw/zinc/36/68/64/315366864.db2.gz FIQBIOVAELEEQJ-IRXDYDNUSA-N 2 1 300.446 3.049 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)c1 ZINC000566678495 315366866 /nfs/dbraw/zinc/36/68/66/315366866.db2.gz FIQBIOVAELEEQJ-IRXDYDNUSA-N 2 1 300.446 3.049 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000566678494 315367202 /nfs/dbraw/zinc/36/72/02/315367202.db2.gz FIQBIOVAELEEQJ-IAGOWNOFSA-N 2 1 300.446 3.049 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC2CCCC2)c1 ZINC000566678494 315367204 /nfs/dbraw/zinc/36/72/04/315367204.db2.gz FIQBIOVAELEEQJ-IAGOWNOFSA-N 2 1 300.446 3.049 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](CCC(=O)OC)CC2CCCCC2)CC1 ZINC000574812857 316002636 /nfs/dbraw/zinc/00/26/36/316002636.db2.gz JLYKNVZJQRXDNY-SFHVURJKSA-N 2 1 324.509 3.353 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000575828421 316066464 /nfs/dbraw/zinc/06/64/64/316066464.db2.gz PILRVHVGGLKWQA-PIKOESSRSA-N 2 1 316.489 3.097 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999330 316084641 /nfs/dbraw/zinc/08/46/41/316084641.db2.gz GATCPLMBJDNSAV-RBUKOAKNSA-N 2 1 304.478 3.260 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999330 316084643 /nfs/dbraw/zinc/08/46/43/316084643.db2.gz GATCPLMBJDNSAV-RBUKOAKNSA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999330 316084647 /nfs/dbraw/zinc/08/46/47/316084647.db2.gz GATCPLMBJDNSAV-RBUKOAKNSA-N 2 1 304.478 3.260 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000575999330 316084650 /nfs/dbraw/zinc/08/46/50/316084650.db2.gz GATCPLMBJDNSAV-RBUKOAKNSA-N 2 1 304.478 3.260 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000576003713 316085696 /nfs/dbraw/zinc/08/56/96/316085696.db2.gz YQBDYIDYECSNEM-ZDUSSCGKSA-N 2 1 318.490 3.013 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000576003713 316085698 /nfs/dbraw/zinc/08/56/98/316085698.db2.gz YQBDYIDYECSNEM-ZDUSSCGKSA-N 2 1 318.490 3.013 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165466 316101281 /nfs/dbraw/zinc/10/12/81/316101281.db2.gz GRAJGBUJWCVLHJ-CQSZACIVSA-N 2 1 324.440 3.007 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000576308677 316117095 /nfs/dbraw/zinc/11/70/95/316117095.db2.gz OZNRBEDFKMKNGZ-ZDUSSCGKSA-N 2 1 319.449 3.381 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000576308677 316117096 /nfs/dbraw/zinc/11/70/96/316117096.db2.gz OZNRBEDFKMKNGZ-ZDUSSCGKSA-N 2 1 319.449 3.381 20 0 DGADMP c1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267795 316219109 /nfs/dbraw/zinc/21/91/09/316219109.db2.gz GDGASVDSOQOSBY-RBUKOAKNSA-N 2 1 322.456 3.108 20 0 DGADMP c1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000577267795 316219111 /nfs/dbraw/zinc/21/91/11/316219111.db2.gz GDGASVDSOQOSBY-RBUKOAKNSA-N 2 1 322.456 3.108 20 0 DGADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000577865803 316279030 /nfs/dbraw/zinc/27/90/30/316279030.db2.gz OHINCJWTSOTNQF-GUBZILKMSA-N 2 1 307.385 3.473 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000180699627 323236989 /nfs/dbraw/zinc/23/69/89/323236989.db2.gz FZLXPXGQSIIZNX-CVEARBPZSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000180699627 323236993 /nfs/dbraw/zinc/23/69/93/323236993.db2.gz FZLXPXGQSIIZNX-CVEARBPZSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000184496555 323367441 /nfs/dbraw/zinc/36/74/41/323367441.db2.gz PODSXHFLAYCTGX-CABCVRRESA-N 2 1 304.434 3.330 20 0 DGADMP C[C@H]([NH2+]CCOc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675215 323393396 /nfs/dbraw/zinc/39/33/96/323393396.db2.gz BWGANGVDTIXLCC-JKSUJKDBSA-N 2 1 320.452 3.447 20 0 DGADMP Cc1nccn1CCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754963 323395649 /nfs/dbraw/zinc/39/56/49/323395649.db2.gz QYOMCQPIQUGTLT-SJLPKXTDSA-N 2 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185754963 323395653 /nfs/dbraw/zinc/39/56/53/323395653.db2.gz QYOMCQPIQUGTLT-SJLPKXTDSA-N 3 1 318.509 3.214 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754963 323395655 /nfs/dbraw/zinc/39/56/55/323395655.db2.gz QYOMCQPIQUGTLT-SJLPKXTDSA-N 3 1 318.509 3.214 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000388541485 323653007 /nfs/dbraw/zinc/65/30/07/323653007.db2.gz WZBDKDGETMOSAR-GXSJLCMTSA-N 2 1 303.269 3.118 20 0 DGADMP Cc1[nH+]cc(CNc2ccc(CC[NH+]3CCCCC3)cc2)n1C ZINC000581083354 324073462 /nfs/dbraw/zinc/07/34/62/324073462.db2.gz QUNMMLYWMJPFKB-UHFFFAOYSA-N 2 1 312.461 3.369 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581489542 324122759 /nfs/dbraw/zinc/12/27/59/324122759.db2.gz JWUKQJWZANVMCD-QZTJIDSGSA-N 2 1 310.441 3.150 20 0 DGADMP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000581951566 324172185 /nfs/dbraw/zinc/17/21/85/324172185.db2.gz GILFXPKZMARBGD-SUMWQHHRSA-N 2 1 321.852 3.372 20 0 DGADMP COCCC[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041641 324181487 /nfs/dbraw/zinc/18/14/87/324181487.db2.gz QXTUKURGNXNKEW-CRAIPNDOSA-N 2 1 308.441 3.225 20 0 DGADMP COCCC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041641 324181489 /nfs/dbraw/zinc/18/14/89/324181489.db2.gz QXTUKURGNXNKEW-CRAIPNDOSA-N 2 1 308.441 3.225 20 0 DGADMP C[N@H+]1CCC[C@@H](CN[C@@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587906 324249512 /nfs/dbraw/zinc/24/95/12/324249512.db2.gz GPCJMDFMTNXWBL-SWLSCSKDSA-N 2 1 310.388 3.110 20 0 DGADMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000582661410 324258672 /nfs/dbraw/zinc/25/86/72/324258672.db2.gz YWZOLEBDGRJWCN-UHFFFAOYSA-N 2 1 323.868 3.133 20 0 DGADMP CCN(C)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000583002999 324300731 /nfs/dbraw/zinc/30/07/31/324300731.db2.gz JKPSQKPKAKWGBB-IBGZPJMESA-N 2 1 322.468 3.273 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000583002999 324300734 /nfs/dbraw/zinc/30/07/34/324300734.db2.gz JKPSQKPKAKWGBB-IBGZPJMESA-N 2 1 322.468 3.273 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000583002999 324300736 /nfs/dbraw/zinc/30/07/36/324300736.db2.gz JKPSQKPKAKWGBB-IBGZPJMESA-N 2 1 322.468 3.273 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000583124396 324315853 /nfs/dbraw/zinc/31/58/53/324315853.db2.gz KTWHCWYIMQVUQN-VIKVFOODSA-N 2 1 317.408 3.365 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000583509937 324363476 /nfs/dbraw/zinc/36/34/76/324363476.db2.gz BGNQQUCWYYYGKX-SJORKVTESA-N 2 1 310.526 3.418 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1Oc1cccnc1 ZINC000584477365 337347707 /nfs/dbraw/zinc/34/77/07/337347707.db2.gz ATPCCEQOQFOADG-RDJZCZTQSA-N 2 1 311.429 3.494 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000442920602 533744999 /nfs/dbraw/zinc/74/49/99/533744999.db2.gz HEAGLLFSEVMJSJ-CABCVRRESA-N 2 1 308.441 3.074 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(-n2cccn2)c1 ZINC000297339116 533809428 /nfs/dbraw/zinc/80/94/28/533809428.db2.gz DLVWBUVRAYVFQI-HNNXBMFYSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000294936542 533944674 /nfs/dbraw/zinc/94/46/74/533944674.db2.gz ZWWNTJDNOQAPEA-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000294936542 533944684 /nfs/dbraw/zinc/94/46/84/533944684.db2.gz ZWWNTJDNOQAPEA-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414801386 533984666 /nfs/dbraw/zinc/98/46/66/533984666.db2.gz GXOFHGJAVWVHDV-ABAIWWIYSA-N 2 1 300.368 3.353 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1cccc(Br)c1 ZINC000415037943 534084931 /nfs/dbraw/zinc/08/49/31/534084931.db2.gz LOEHUNWJYSGZSH-FZMZJTMJSA-N 2 1 311.267 3.283 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000434757296 534146056 /nfs/dbraw/zinc/14/60/56/534146056.db2.gz FZZYBQFFMALSIO-IMFGXOCKSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000434757296 534146064 /nfs/dbraw/zinc/14/60/64/534146064.db2.gz FZZYBQFFMALSIO-IMFGXOCKSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)o1 ZINC000430949977 534212949 /nfs/dbraw/zinc/21/29/49/534212949.db2.gz FVIIRQFEAWERFV-LBPRGKRZSA-N 2 1 305.447 3.271 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000154871017 522654617 /nfs/dbraw/zinc/65/46/17/522654617.db2.gz YIQWTGCXTLRJJR-MOPGFXCFSA-N 2 1 304.478 3.432 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000443066065 534654016 /nfs/dbraw/zinc/65/40/16/534654016.db2.gz DHBQMVUFDAHCIE-MRXNPFEDSA-N 2 1 315.486 3.295 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000442923653 534654314 /nfs/dbraw/zinc/65/43/14/534654314.db2.gz QXXZWODYSOLFQP-OAHLLOKOSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CCCC1 ZINC000415071184 534677295 /nfs/dbraw/zinc/67/72/95/534677295.db2.gz WBJYVXNGNRJUGP-OAHLLOKOSA-N 2 1 316.367 3.235 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C1CCCC1 ZINC000415067470 534677541 /nfs/dbraw/zinc/67/75/41/534677541.db2.gz PMJNYSMVLYVLIX-CQSZACIVSA-N 2 1 304.331 3.452 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2ccsc2)s1)C1CCCC1 ZINC000415063310 534677989 /nfs/dbraw/zinc/67/79/89/534677989.db2.gz HUCYEZIOLKLNNC-CQSZACIVSA-N 2 1 307.488 3.479 20 0 DGADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295913375 534710651 /nfs/dbraw/zinc/71/06/51/534710651.db2.gz ZQJDUOHGGOYHJN-YLJYHZDGSA-N 2 1 309.457 3.390 20 0 DGADMP CCn1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000157538461 523470687 /nfs/dbraw/zinc/47/06/87/523470687.db2.gz VOJRCVGQWAICQE-HNNXBMFYSA-N 2 1 304.482 3.351 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000157086744 524450933 /nfs/dbraw/zinc/45/09/33/524450933.db2.gz ZVABCZVFADTKEE-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000157086744 524450937 /nfs/dbraw/zinc/45/09/37/524450937.db2.gz ZVABCZVFADTKEE-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)(C)OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434671984 526551574 /nfs/dbraw/zinc/55/15/74/526551574.db2.gz KZTHZYDUTRSNAH-UHFFFAOYSA-N 2 1 305.466 3.214 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000415051241 526696412 /nfs/dbraw/zinc/69/64/12/526696412.db2.gz JGHAERDCPJTBIL-ZDUSSCGKSA-N 2 1 304.356 3.091 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000158654706 527306211 /nfs/dbraw/zinc/30/62/11/527306211.db2.gz BUSQDDWPVSGEMY-SOUVJXGZSA-N 2 1 304.482 3.112 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000163298404 527396410 /nfs/dbraw/zinc/39/64/10/527396410.db2.gz HZXRBIGNQYZXRQ-IBGZPJMESA-N 2 1 313.445 3.219 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000163298404 527396415 /nfs/dbraw/zinc/39/64/15/527396415.db2.gz HZXRBIGNQYZXRQ-IBGZPJMESA-N 2 1 313.445 3.219 20 0 DGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000432837002 527480669 /nfs/dbraw/zinc/48/06/69/527480669.db2.gz XPKXNUGWTFLVTK-IBGZPJMESA-N 2 1 308.510 3.391 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000435371181 528233867 /nfs/dbraw/zinc/23/38/67/528233867.db2.gz LPWIEOGETYNGNE-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000435371181 528233870 /nfs/dbraw/zinc/23/38/70/528233870.db2.gz LPWIEOGETYNGNE-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2oc(CC)nc2C)CC1 ZINC000428476375 528338621 /nfs/dbraw/zinc/33/86/21/528338621.db2.gz XZSBHTQMQZFDGU-UHFFFAOYSA-N 2 1 307.482 3.489 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000294593678 528339361 /nfs/dbraw/zinc/33/93/61/528339361.db2.gz SHPCJVZIZKCIPD-UHFFFAOYSA-N 2 1 311.420 3.304 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000294593678 528339366 /nfs/dbraw/zinc/33/93/66/528339366.db2.gz SHPCJVZIZKCIPD-UHFFFAOYSA-N 2 1 311.420 3.304 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414696056 528730719 /nfs/dbraw/zinc/73/07/19/528730719.db2.gz AVLXRWIPWQXJJI-HOTGVXAUSA-N 2 1 302.462 3.222 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414696054 528731279 /nfs/dbraw/zinc/73/12/79/528731279.db2.gz AVLXRWIPWQXJJI-CVEARBPZSA-N 2 1 302.462 3.222 20 0 DGADMP CCCOc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432347648 528757179 /nfs/dbraw/zinc/75/71/79/528757179.db2.gz OBADCGADYPLSSO-KRWDZBQOSA-N 2 1 320.477 3.066 20 0 DGADMP CC[N@@H+](Cc1ccc(SC)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435387962 528796214 /nfs/dbraw/zinc/79/62/14/528796214.db2.gz CKZFEIIPFRQBMY-OAHLLOKOSA-N 2 1 308.491 3.381 20 0 DGADMP CCSCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693823 529179686 /nfs/dbraw/zinc/17/96/86/529179686.db2.gz NMSRQIRZCMAHSF-HNNXBMFYSA-N 2 1 310.532 3.445 20 0 DGADMP CC[C@@H](O)C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000444611908 529224415 /nfs/dbraw/zinc/22/44/15/529224415.db2.gz SGQZKZUHVAFBMT-LJQANCHMSA-N 2 1 304.478 3.136 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778899 529273920 /nfs/dbraw/zinc/27/39/20/529273920.db2.gz KNTAMIXDDPZUMK-JKSUJKDBSA-N 2 1 311.473 3.489 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778899 529273921 /nfs/dbraw/zinc/27/39/21/529273921.db2.gz KNTAMIXDDPZUMK-JKSUJKDBSA-N 2 1 311.473 3.489 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000472295931 535550854 /nfs/dbraw/zinc/55/08/54/535550854.db2.gz SBBZBQOQHSSWNT-ICSRJNTNSA-N 2 1 318.505 3.440 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000469321166 535769062 /nfs/dbraw/zinc/76/90/62/535769062.db2.gz XBOUTADHAPWNIO-TVFCKZIOSA-N 2 1 309.542 3.063 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000488105754 535820059 /nfs/dbraw/zinc/82/00/59/535820059.db2.gz CYKIXAZHRVXQTJ-BRSBDYLESA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000488105754 535820060 /nfs/dbraw/zinc/82/00/60/535820060.db2.gz CYKIXAZHRVXQTJ-BRSBDYLESA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449643184 536011115 /nfs/dbraw/zinc/01/11/15/536011115.db2.gz YULRTMTXXWVOAF-YSHGAJCASA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449643184 536011120 /nfs/dbraw/zinc/01/11/20/536011120.db2.gz YULRTMTXXWVOAF-YSHGAJCASA-N 2 1 304.478 3.179 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000470200840 536181517 /nfs/dbraw/zinc/18/15/17/536181517.db2.gz OEMCGJNHSOCHQJ-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(Cl)c2)C1 ZINC000470200840 536181520 /nfs/dbraw/zinc/18/15/20/536181520.db2.gz OEMCGJNHSOCHQJ-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000470200840 536181523 /nfs/dbraw/zinc/18/15/23/536181523.db2.gz OEMCGJNHSOCHQJ-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000470200840 536181525 /nfs/dbraw/zinc/18/15/25/536181525.db2.gz OEMCGJNHSOCHQJ-INIZCTEOSA-N 2 1 322.880 3.383 20 0 DGADMP COCCSc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000459392589 536760279 /nfs/dbraw/zinc/76/02/79/536760279.db2.gz LRAMIGVLRXMDQL-CQSZACIVSA-N 2 1 319.474 3.052 20 0 DGADMP COc1cccc2c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cccc12 ZINC000449073907 536933457 /nfs/dbraw/zinc/93/34/57/536933457.db2.gz JOROTPLXIZCIIK-OAHLLOKOSA-N 2 1 310.441 3.422 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(Cl)c1 ZINC000090115789 545822914 /nfs/dbraw/zinc/82/29/14/545822914.db2.gz KRCGOEFRMVJBTH-FVQBIDKESA-N 2 1 308.853 3.324 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1Cl ZINC000090116747 545823267 /nfs/dbraw/zinc/82/32/67/545823267.db2.gz ZMRCYYARSXQUMF-QLFBSQMISA-N 2 1 308.853 3.324 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(C)c1 ZINC000090218645 545825400 /nfs/dbraw/zinc/82/54/00/545825400.db2.gz BCJIKUJZKORPQY-RCCFBDPRSA-N 2 1 302.462 3.369 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129443462 545942327 /nfs/dbraw/zinc/94/23/27/545942327.db2.gz GYVWBVBGMDXCIC-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000129443462 545942333 /nfs/dbraw/zinc/94/23/33/545942333.db2.gz GYVWBVBGMDXCIC-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000132610002 545964848 /nfs/dbraw/zinc/96/48/48/545964848.db2.gz LAIQSTUYCBHBHS-NHYWBVRUSA-N 2 1 301.261 3.466 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000153427054 546009267 /nfs/dbraw/zinc/00/92/67/546009267.db2.gz WERBPWVUWOHMOP-PKOBYXMFSA-N 3 1 309.542 3.063 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000158859448 546049478 /nfs/dbraw/zinc/04/94/78/546049478.db2.gz BVENWTHGTCHUEL-UHFFFAOYSA-N 2 1 317.477 3.389 20 0 DGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000161597720 546071962 /nfs/dbraw/zinc/07/19/62/546071962.db2.gz FYQPKFVEABHCOU-BBWFWOEESA-N 2 1 316.445 3.125 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166213014 546093796 /nfs/dbraw/zinc/09/37/96/546093796.db2.gz RKEREGPBPNTJIO-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166213014 546093803 /nfs/dbraw/zinc/09/38/03/546093803.db2.gz RKEREGPBPNTJIO-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166213014 546093808 /nfs/dbraw/zinc/09/38/08/546093808.db2.gz RKEREGPBPNTJIO-WOJBJXKFSA-N 2 1 315.505 3.245 20 0 DGADMP c1cc(OC2CCCC2)ncc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166206971 546093869 /nfs/dbraw/zinc/09/38/69/546093869.db2.gz VPUPHHJOPFOPKQ-DLBZAZTESA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166206971 546093874 /nfs/dbraw/zinc/09/38/74/546093874.db2.gz VPUPHHJOPFOPKQ-DLBZAZTESA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166206971 546093879 /nfs/dbraw/zinc/09/38/79/546093879.db2.gz VPUPHHJOPFOPKQ-DLBZAZTESA-N 2 1 315.461 3.119 20 0 DGADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000166554147 546096909 /nfs/dbraw/zinc/09/69/09/546096909.db2.gz UAFRPXSUPXURTC-VAMGGRTRSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000166554147 546096915 /nfs/dbraw/zinc/09/69/15/546096915.db2.gz UAFRPXSUPXURTC-VAMGGRTRSA-N 2 1 319.537 3.248 20 0 DGADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000166554147 546096922 /nfs/dbraw/zinc/09/69/22/546096922.db2.gz UAFRPXSUPXURTC-VAMGGRTRSA-N 2 1 319.537 3.248 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)CCO2 ZINC000178096393 546125992 /nfs/dbraw/zinc/12/59/92/546125992.db2.gz LTDJXMMTLALJJN-FHLIZLRMSA-N 2 1 318.461 3.229 20 0 DGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)CCO2 ZINC000178096393 546125995 /nfs/dbraw/zinc/12/59/95/546125995.db2.gz LTDJXMMTLALJJN-FHLIZLRMSA-N 2 1 318.461 3.229 20 0 DGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000180335628 546144772 /nfs/dbraw/zinc/14/47/72/546144772.db2.gz MMDKQWRVTBGADC-CYBMUJFWSA-N 2 1 318.490 3.342 20 0 DGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000247192768 546309087 /nfs/dbraw/zinc/30/90/87/546309087.db2.gz VVPMGYLKVRZAQT-ZWKOTPCHSA-N 2 1 316.489 3.116 20 0 DGADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000308391278 546449789 /nfs/dbraw/zinc/44/97/89/546449789.db2.gz JVMGNCRNWIATOW-OALUTQOASA-N 2 1 314.473 3.198 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000319694597 546465244 /nfs/dbraw/zinc/46/52/44/546465244.db2.gz RZEHTCVDIHGIRM-KSSFIOAISA-N 2 1 315.848 3.449 20 0 DGADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319672387 546465259 /nfs/dbraw/zinc/46/52/59/546465259.db2.gz HLTPDNDEVMXWPF-IVDHNXQLSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319672387 546465261 /nfs/dbraw/zinc/46/52/61/546465261.db2.gz HLTPDNDEVMXWPF-IVDHNXQLSA-N 2 1 322.537 3.370 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319672387 546465264 /nfs/dbraw/zinc/46/52/64/546465264.db2.gz HLTPDNDEVMXWPF-IVDHNXQLSA-N 2 1 322.537 3.370 20 0 DGADMP CCc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000339066680 546531666 /nfs/dbraw/zinc/53/16/66/546531666.db2.gz CZKXMOVZDLHZHB-AABGKKOBSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339066680 546531672 /nfs/dbraw/zinc/53/16/72/546531672.db2.gz CZKXMOVZDLHZHB-AABGKKOBSA-N 2 1 315.505 3.068 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339066680 546531676 /nfs/dbraw/zinc/53/16/76/546531676.db2.gz CZKXMOVZDLHZHB-AABGKKOBSA-N 2 1 315.505 3.068 20 0 DGADMP c1ccc(CCOCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339076558 546532722 /nfs/dbraw/zinc/53/27/22/546532722.db2.gz ULKLEBCQFBVSBP-PMACEKPBSA-N 2 1 316.489 3.242 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072287 546532863 /nfs/dbraw/zinc/53/28/63/546532863.db2.gz VPUPHHJOPFOPKQ-IRXDYDNUSA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(OC2CCCC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072287 546532865 /nfs/dbraw/zinc/53/28/65/546532865.db2.gz VPUPHHJOPFOPKQ-IRXDYDNUSA-N 2 1 315.461 3.119 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000342735952 546558522 /nfs/dbraw/zinc/55/85/22/546558522.db2.gz LXHSDRDTLSDHGC-INIZCTEOSA-N 2 1 312.461 3.397 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccnn1-c1ccccc1 ZINC000343495372 546565097 /nfs/dbraw/zinc/56/50/97/546565097.db2.gz PTELNHDGQJKFEM-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000348102812 546586685 /nfs/dbraw/zinc/58/66/85/546586685.db2.gz AASCHIIUADUDQH-UFYCRDLUSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000348102812 546586689 /nfs/dbraw/zinc/58/66/89/546586689.db2.gz AASCHIIUADUDQH-UFYCRDLUSA-N 2 1 316.489 3.474 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239926 546698384 /nfs/dbraw/zinc/69/83/84/546698384.db2.gz UGRNTFBLUSBXSB-CMKODMSKSA-N 2 1 317.521 3.217 20 0 DGADMP OC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411768907 546772574 /nfs/dbraw/zinc/77/25/74/546772574.db2.gz JJXWIPOEEOMODY-GOSISDBHSA-N 2 1 316.489 3.267 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414138673 546780442 /nfs/dbraw/zinc/78/04/42/546780442.db2.gz HOBHJKNQUUYJBU-INDMIFKZSA-N 2 1 302.462 3.368 20 0 DGADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414138673 546780448 /nfs/dbraw/zinc/78/04/48/546780448.db2.gz HOBHJKNQUUYJBU-INDMIFKZSA-N 2 1 302.462 3.368 20 0 DGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453312391 546858911 /nfs/dbraw/zinc/85/89/11/546858911.db2.gz QRLWQBLHDTYITR-QUCCMNQESA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453312391 546858914 /nfs/dbraw/zinc/85/89/14/546858914.db2.gz QRLWQBLHDTYITR-QUCCMNQESA-N 2 1 309.457 3.358 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000470164541 546900213 /nfs/dbraw/zinc/90/02/13/546900213.db2.gz ZJATYNYKCGTVNX-CABCVRRESA-N 2 1 310.457 3.333 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479958494 546909428 /nfs/dbraw/zinc/90/94/28/546909428.db2.gz CFCYRIHAXOSZLM-RYQLBKOJSA-N 2 1 300.490 3.314 20 0 DGADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972307 546936569 /nfs/dbraw/zinc/93/65/69/546936569.db2.gz KPSRMWFAKKBSLJ-GDBMZVCRSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000494972307 546936576 /nfs/dbraw/zinc/93/65/76/546936576.db2.gz KPSRMWFAKKBSLJ-GDBMZVCRSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000494972307 546936581 /nfs/dbraw/zinc/93/65/81/546936581.db2.gz KPSRMWFAKKBSLJ-GDBMZVCRSA-N 2 1 317.502 3.469 20 0 DGADMP c1nc(C2CC2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000494972307 546936585 /nfs/dbraw/zinc/93/65/85/546936585.db2.gz KPSRMWFAKKBSLJ-GDBMZVCRSA-N 2 1 317.502 3.469 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000537971787 546992464 /nfs/dbraw/zinc/99/24/64/546992464.db2.gz GZODGQWESOKVSP-QAPCUYQASA-N 2 1 304.478 3.293 20 0 DGADMP C[NH+](C)C1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000667416679 547175598 /nfs/dbraw/zinc/17/55/98/547175598.db2.gz GAXNNVYMNCJXMG-UHFFFAOYSA-N 2 1 315.461 3.095 20 0 DGADMP C[N@@H+](CCCOc1ccccc1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667530697 547212707 /nfs/dbraw/zinc/21/27/07/547212707.db2.gz HWIGWKHBTPXDAF-UHFFFAOYSA-N 2 1 322.412 3.168 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000668063251 547372527 /nfs/dbraw/zinc/37/25/27/547372527.db2.gz IEKATDPVMHUUQW-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000668063251 547372529 /nfs/dbraw/zinc/37/25/29/547372529.db2.gz IEKATDPVMHUUQW-FUHWJXTLSA-N 2 1 320.477 3.016 20 0 DGADMP c1cc(C[N@H+]2CCSC3(CCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668238678 547425998 /nfs/dbraw/zinc/42/59/98/547425998.db2.gz WRKFXCXSAZNUCH-UHFFFAOYSA-N 2 1 314.458 3.129 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCc2ccccc21 ZINC000668287558 547436209 /nfs/dbraw/zinc/43/62/09/547436209.db2.gz GGUADHXSDTYMSL-INIZCTEOSA-N 2 1 318.424 3.429 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588308 547485977 /nfs/dbraw/zinc/48/59/77/547485977.db2.gz YCNMHNRSLIQDPC-DOTOQJQBSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588308 547485980 /nfs/dbraw/zinc/48/59/80/547485980.db2.gz YCNMHNRSLIQDPC-DOTOQJQBSA-N 2 1 302.462 3.320 20 0 DGADMP COC[C@@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713505 547517389 /nfs/dbraw/zinc/51/73/89/547517389.db2.gz RUDUSBWYUFNMRE-HKUYNNGSSA-N 2 1 316.489 3.161 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CCO1 ZINC000668785502 547541358 /nfs/dbraw/zinc/54/13/58/547541358.db2.gz QYRHYSOUBUNBGI-IBGZPJMESA-N 2 1 302.462 3.107 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CCO1 ZINC000668785502 547541361 /nfs/dbraw/zinc/54/13/61/547541361.db2.gz QYRHYSOUBUNBGI-IBGZPJMESA-N 2 1 302.462 3.107 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000669851621 547694753 /nfs/dbraw/zinc/69/47/53/547694753.db2.gz KPJHKDCZZHZZNN-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000669851621 547694756 /nfs/dbraw/zinc/69/47/56/547694756.db2.gz KPJHKDCZZHZZNN-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cn[nH]c1 ZINC000671120096 547770321 /nfs/dbraw/zinc/77/03/21/547770321.db2.gz LWIWSCQRLVQMMF-LWCVALJOSA-N 2 1 324.472 3.361 20 0 DGADMP Clc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000671306695 547786273 /nfs/dbraw/zinc/78/62/73/547786273.db2.gz LSFKITCLBQPIKT-BETUJISGSA-N 2 1 319.861 3.115 20 0 DGADMP Clc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000671306695 547786276 /nfs/dbraw/zinc/78/62/76/547786276.db2.gz LSFKITCLBQPIKT-BETUJISGSA-N 2 1 319.861 3.115 20 0 DGADMP CN1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000671742414 547822125 /nfs/dbraw/zinc/82/21/25/547822125.db2.gz IPGMUCITOMYNRT-IOJLRTSASA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675766172 548266452 /nfs/dbraw/zinc/26/64/52/548266452.db2.gz XEQOKRWLQZSXKJ-BRWVUGGUSA-N 2 1 309.542 3.063 20 0 DGADMP c1cc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881161 548283099 /nfs/dbraw/zinc/28/30/99/548283099.db2.gz KAYNHAMOTNXKCS-DOTOQJQBSA-N 2 1 320.502 3.359 20 0 DGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881445 548283606 /nfs/dbraw/zinc/28/36/06/548283606.db2.gz LIXKNPIWPUWJIE-AZUAARDMSA-N 2 1 314.473 3.215 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000675927775 548293505 /nfs/dbraw/zinc/29/35/05/548293505.db2.gz PPHRFPPSNGJYRT-SFHVURJKSA-N 2 1 323.484 3.482 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000675935073 548294769 /nfs/dbraw/zinc/29/47/69/548294769.db2.gz CAQMPOAVYIGOBK-UMGGQSCQSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000675935073 548294770 /nfs/dbraw/zinc/29/47/70/548294770.db2.gz CAQMPOAVYIGOBK-UMGGQSCQSA-N 2 1 316.489 3.444 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000676207616 548333154 /nfs/dbraw/zinc/33/31/54/548333154.db2.gz XTABDBUIUCSYFS-RDJZCZTQSA-N 2 1 304.478 3.263 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000676207616 548333155 /nfs/dbraw/zinc/33/31/55/548333155.db2.gz XTABDBUIUCSYFS-RDJZCZTQSA-N 2 1 304.478 3.263 20 0 DGADMP c1ccc2cc(OCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000677236900 548472602 /nfs/dbraw/zinc/47/26/02/548472602.db2.gz VZXSZOIKLIVFEX-RBUKOAKNSA-N 2 1 310.441 3.435 20 0 DGADMP c1ccc2cc(OCC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000677236899 548472641 /nfs/dbraw/zinc/47/26/41/548472641.db2.gz VZXSZOIKLIVFEX-OALUTQOASA-N 2 1 310.441 3.435 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236952 548472783 /nfs/dbraw/zinc/47/27/83/548472783.db2.gz WYGWAMIJICCALI-MSOLQXFVSA-N 2 1 302.462 3.233 20 0 DGADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCCOC2)CC3)cc1 ZINC000677819989 548561736 /nfs/dbraw/zinc/56/17/36/548561736.db2.gz RCMLDNOZRMGUTN-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678120572 548616931 /nfs/dbraw/zinc/61/69/31/548616931.db2.gz LEMAFWOOLPIRGI-KRWDZBQOSA-N 2 1 302.462 3.393 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000678139207 548624263 /nfs/dbraw/zinc/62/42/63/548624263.db2.gz OAIWRMNVXGHMKL-UHFFFAOYSA-N 2 1 300.450 3.117 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678195012 548636725 /nfs/dbraw/zinc/63/67/25/548636725.db2.gz CERDLEGRBRAOOJ-UHFFFAOYSA-N 2 1 318.440 3.026 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678195012 548636730 /nfs/dbraw/zinc/63/67/30/548636730.db2.gz CERDLEGRBRAOOJ-UHFFFAOYSA-N 2 1 318.440 3.026 20 0 DGADMP CC(C)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000678300189 548675901 /nfs/dbraw/zinc/67/59/01/548675901.db2.gz MXELAMWXWXAOBY-GOSISDBHSA-N 2 1 322.518 3.200 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C\c1ccc(F)cc1 ZINC000678340535 548683486 /nfs/dbraw/zinc/68/34/86/548683486.db2.gz TYRBZQHGEYMNEP-XCCUNJHGSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C\c1ccc(F)cc1 ZINC000678340535 548683490 /nfs/dbraw/zinc/68/34/90/548683490.db2.gz TYRBZQHGEYMNEP-XCCUNJHGSA-N 2 1 318.436 3.022 20 0 DGADMP CCCOc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678602902 548738974 /nfs/dbraw/zinc/73/89/74/548738974.db2.gz WPDWVDHWFPJFGZ-ROUUACIJSA-N 2 1 302.462 3.234 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000679338111 548881327 /nfs/dbraw/zinc/88/13/27/548881327.db2.gz FENQGFQYBFHQCB-HOTGVXAUSA-N 2 1 310.507 3.101 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000679338111 548881330 /nfs/dbraw/zinc/88/13/30/548881330.db2.gz FENQGFQYBFHQCB-HOTGVXAUSA-N 2 1 310.507 3.101 20 0 DGADMP C[C@H](CCCCO)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000679342295 548881408 /nfs/dbraw/zinc/88/14/08/548881408.db2.gz AYJRLONEWVNWGQ-IAGOWNOFSA-N 2 1 304.478 3.353 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679370600 548887860 /nfs/dbraw/zinc/88/78/60/548887860.db2.gz RWYNJXJRAPAZBA-LCLWPZTBSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000679573612 548919190 /nfs/dbraw/zinc/91/91/90/548919190.db2.gz AFVZTSRTNYQQIA-SXLOBPIMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679720651 548943795 /nfs/dbraw/zinc/94/37/95/548943795.db2.gz ACZZECNNUPXFES-RDJZCZTQSA-N 2 1 318.509 3.381 20 0 DGADMP C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679720651 548943800 /nfs/dbraw/zinc/94/38/00/548943800.db2.gz ACZZECNNUPXFES-RDJZCZTQSA-N 2 1 318.509 3.381 20 0 DGADMP COc1ccc(Oc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000680328154 549028591 /nfs/dbraw/zinc/02/85/91/549028591.db2.gz CVHQZHQGTQLZIE-IAGOWNOFSA-N 2 1 324.424 3.139 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680352188 549037685 /nfs/dbraw/zinc/03/76/85/549037685.db2.gz JQFGDXBWRLDQNU-GRLGQGAKSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401054 549047920 /nfs/dbraw/zinc/04/79/20/549047920.db2.gz BZGZKWLOLSNRIC-KBPBESRZSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401054 549047921 /nfs/dbraw/zinc/04/79/21/549047921.db2.gz BZGZKWLOLSNRIC-KBPBESRZSA-N 2 1 307.869 3.478 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000681412947 549205786 /nfs/dbraw/zinc/20/57/86/549205786.db2.gz WDCSHZILDFOLOZ-ROUUACIJSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000681412947 549205789 /nfs/dbraw/zinc/20/57/89/549205789.db2.gz WDCSHZILDFOLOZ-ROUUACIJSA-N 2 1 304.478 3.038 20 0 DGADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683145325 549438426 /nfs/dbraw/zinc/43/84/26/549438426.db2.gz ZYYPROZPDBESGE-GOSISDBHSA-N 2 1 304.478 3.161 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000683818928 549541028 /nfs/dbraw/zinc/54/10/28/549541028.db2.gz LKAZTHPEGSRXJN-RMPXNZIMSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000683818928 549541029 /nfs/dbraw/zinc/54/10/29/549541029.db2.gz LKAZTHPEGSRXJN-RMPXNZIMSA-N 2 1 302.462 3.368 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000684024733 549569228 /nfs/dbraw/zinc/56/92/28/549569228.db2.gz AYIRFPAXFBYASX-UHFFFAOYSA-N 2 1 322.518 3.345 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000684379299 549623579 /nfs/dbraw/zinc/62/35/79/549623579.db2.gz ZPIZIRCTIPHMLH-BHIYHBOVSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773374 549691578 /nfs/dbraw/zinc/69/15/78/549691578.db2.gz KKRXEQSKSLUSFW-VQIMIIECSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000684773374 549691581 /nfs/dbraw/zinc/69/15/81/549691581.db2.gz KKRXEQSKSLUSFW-VQIMIIECSA-N 2 1 307.526 3.103 20 0 DGADMP Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443071 549761950 /nfs/dbraw/zinc/76/19/50/549761950.db2.gz PTTPMXSLZMPPKD-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443071 549761952 /nfs/dbraw/zinc/76/19/52/549761952.db2.gz PTTPMXSLZMPPKD-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443071 549761955 /nfs/dbraw/zinc/76/19/55/549761955.db2.gz PTTPMXSLZMPPKD-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443071 549761957 /nfs/dbraw/zinc/76/19/57/549761957.db2.gz PTTPMXSLZMPPKD-OAQYLSRUSA-N 2 1 322.452 3.490 20 0 DGADMP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457126 549762922 /nfs/dbraw/zinc/76/29/22/549762922.db2.gz DXABJHNEBHRPNX-HXUWFJFHSA-N 2 1 321.553 3.447 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCO[C@H](C)C1 ZINC000685456429 549763554 /nfs/dbraw/zinc/76/35/54/549763554.db2.gz KJCKZQSEUYFGCI-VQIMIIECSA-N 2 1 304.478 3.385 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000685571012 549775614 /nfs/dbraw/zinc/77/56/14/549775614.db2.gz UVFHCLOXLYXEBM-RTBURBONSA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000685571012 549775618 /nfs/dbraw/zinc/77/56/18/549775618.db2.gz UVFHCLOXLYXEBM-RTBURBONSA-N 2 1 304.478 3.209 20 0 DGADMP CCCCOC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733841944 574640217 /nfs/dbraw/zinc/64/02/17/574640217.db2.gz MZRRSVARJAIYJL-ROUUACIJSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733841944 574640218 /nfs/dbraw/zinc/64/02/18/574640218.db2.gz MZRRSVARJAIYJL-ROUUACIJSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733841944 574640221 /nfs/dbraw/zinc/64/02/21/574640221.db2.gz MZRRSVARJAIYJL-ROUUACIJSA-N 2 1 324.509 3.306 20 0 DGADMP CCCCOC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733841944 574640224 /nfs/dbraw/zinc/64/02/24/574640224.db2.gz MZRRSVARJAIYJL-ROUUACIJSA-N 2 1 324.509 3.306 20 0 DGADMP c1cn([C@@H]2CCC[N@@H+](Cn3ccc(-c4ccsc4)n3)C2)cn1 ZINC000738159250 574860007 /nfs/dbraw/zinc/86/00/07/574860007.db2.gz RHPIZOKYOMUHCJ-OAHLLOKOSA-N 2 1 313.430 3.103 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cn3ccc(-c4ccsc4)n3)C2)cn1 ZINC000738159250 574860009 /nfs/dbraw/zinc/86/00/09/574860009.db2.gz RHPIZOKYOMUHCJ-OAHLLOKOSA-N 2 1 313.430 3.103 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000729340221 575237196 /nfs/dbraw/zinc/23/71/96/575237196.db2.gz FPSNKJDBJBHGMU-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000749290800 575642739 /nfs/dbraw/zinc/64/27/39/575642739.db2.gz BQTWIOVCPFGBBF-GOSISDBHSA-N 2 1 304.478 3.091 20 0 DGADMP COc1cccc2cc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)oc21 ZINC000749287727 575642749 /nfs/dbraw/zinc/64/27/49/575642749.db2.gz NSWLYXACAYPUAX-LSDHHAIUSA-N 2 1 302.418 3.404 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694651 620641607 /nfs/dbraw/zinc/64/16/07/620641607.db2.gz XVDZPZFBWBRECJ-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000852694651 620641609 /nfs/dbraw/zinc/64/16/09/620641609.db2.gz XVDZPZFBWBRECJ-RBUKOAKNSA-N 2 1 304.478 3.305 20 0 DGADMP CC(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000853093825 620667793 /nfs/dbraw/zinc/66/77/93/620667793.db2.gz SAFCENWPJGJXHP-HNNXBMFYSA-N 2 1 307.507 3.478 20 0 DGADMP CC(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000853093825 620667795 /nfs/dbraw/zinc/66/77/95/620667795.db2.gz SAFCENWPJGJXHP-HNNXBMFYSA-N 2 1 307.507 3.478 20 0 DGADMP C[C@@H](SC[C@H]1CCC[NH+]1C)[C@@H](C)SC[C@H]1CCC[N@H+]1C ZINC000917537071 620672848 /nfs/dbraw/zinc/67/28/48/620672848.db2.gz WOWCLSVIVOKZJR-KLHDSHLOSA-N 2 1 316.580 3.418 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000111240840 620688762 /nfs/dbraw/zinc/68/87/62/620688762.db2.gz ZKFQDVNTKWOELI-QGZVFWFLSA-N 2 1 310.869 3.180 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000111240840 620688766 /nfs/dbraw/zinc/68/87/66/620688766.db2.gz ZKFQDVNTKWOELI-QGZVFWFLSA-N 2 1 310.869 3.180 20 0 DGADMP c1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)CCCO2 ZINC000892086522 617958883 /nfs/dbraw/zinc/95/88/83/617958883.db2.gz QYCPOCXKFFMWAL-IBGZPJMESA-N 2 1 314.473 3.462 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)CCCO2 ZINC000892086522 617958885 /nfs/dbraw/zinc/95/88/85/617958885.db2.gz QYCPOCXKFFMWAL-IBGZPJMESA-N 2 1 314.473 3.462 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000892098365 617960749 /nfs/dbraw/zinc/96/07/49/617960749.db2.gz AENGMBGWDQBEKJ-LPHOPBHVSA-N 2 1 302.462 3.099 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142965 617974438 /nfs/dbraw/zinc/97/44/38/617974438.db2.gz HYAXCILXJHURJJ-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142965 617974445 /nfs/dbraw/zinc/97/44/45/617974445.db2.gz HYAXCILXJHURJJ-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142965 617974447 /nfs/dbraw/zinc/97/44/47/617974447.db2.gz HYAXCILXJHURJJ-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC000892142965 617974451 /nfs/dbraw/zinc/97/44/51/617974451.db2.gz HYAXCILXJHURJJ-INIZCTEOSA-N 2 1 301.478 3.042 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000892151816 617976717 /nfs/dbraw/zinc/97/67/17/617976717.db2.gz PHFZSNCNVFNZOX-UHFFFAOYSA-N 2 1 308.385 3.351 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000926503711 618034686 /nfs/dbraw/zinc/03/46/86/618034686.db2.gz NTFNXZBOTKVCIM-MANSERQUSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000926503721 618034769 /nfs/dbraw/zinc/03/47/69/618034769.db2.gz NTFNXZBOTKVCIM-OKYOBFRVSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000926698325 618092031 /nfs/dbraw/zinc/09/20/31/618092031.db2.gz AUFAGNNWNYJMAV-OALUTQOASA-N 2 1 302.462 3.265 20 0 DGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc2c1OCO2 ZINC000924569868 618102320 /nfs/dbraw/zinc/10/23/20/618102320.db2.gz LGDIOXKTGJDKID-GFCCVEGCSA-N 2 1 304.434 3.375 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000892583780 618112822 /nfs/dbraw/zinc/11/28/22/618112822.db2.gz DYUWMTPKAVONCL-CQSZACIVSA-N 2 1 310.511 3.263 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000892583780 618112824 /nfs/dbraw/zinc/11/28/24/618112824.db2.gz DYUWMTPKAVONCL-CQSZACIVSA-N 2 1 310.511 3.263 20 0 DGADMP CCCSC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000892634138 618123302 /nfs/dbraw/zinc/12/33/02/618123302.db2.gz NONJNVWZTDXNER-ZDUSSCGKSA-N 2 1 304.463 3.197 20 0 DGADMP CCCSC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000892634136 618123335 /nfs/dbraw/zinc/12/33/35/618123335.db2.gz NONJNVWZTDXNER-CYBMUJFWSA-N 2 1 304.463 3.197 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000854222575 620785628 /nfs/dbraw/zinc/78/56/28/620785628.db2.gz IWNOHCBYXMAIIA-MUGJNUQGSA-N 2 1 314.473 3.309 20 0 DGADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C2CC2)n1 ZINC000892751360 618301533 /nfs/dbraw/zinc/30/15/33/618301533.db2.gz UOHSNJDTYXDFKM-UHFFFAOYSA-N 2 1 316.493 3.042 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894479446 618349693 /nfs/dbraw/zinc/34/96/93/618349693.db2.gz PTGWRMGZEJTMKP-GOSISDBHSA-N 2 1 318.509 3.245 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2CCC(OC)CC2)c1 ZINC000892938377 618358365 /nfs/dbraw/zinc/35/83/65/618358365.db2.gz MSGWCLIYOYGLFS-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP CCc1cccc2c1OCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892944457 618362262 /nfs/dbraw/zinc/36/22/62/618362262.db2.gz KSQNFBXBDHAROE-YCXXCVGLSA-N 2 1 300.446 3.287 20 0 DGADMP CCc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892944457 618362268 /nfs/dbraw/zinc/36/22/68/618362268.db2.gz KSQNFBXBDHAROE-YCXXCVGLSA-N 2 1 300.446 3.287 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCc3ccccc3)c2)CCO1 ZINC000920410278 620799545 /nfs/dbraw/zinc/79/95/45/620799545.db2.gz UXMVVJYMIQFJNG-SFHVURJKSA-N 2 1 324.468 3.240 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCc3ccccc3)c2)CCO1 ZINC000920410278 620799548 /nfs/dbraw/zinc/79/95/48/620799548.db2.gz UXMVVJYMIQFJNG-SFHVURJKSA-N 2 1 324.468 3.240 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000893020981 618394690 /nfs/dbraw/zinc/39/46/90/618394690.db2.gz RMZCQRRDRHMQJA-SJLPKXTDSA-N 3 1 321.534 3.062 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000893020981 618394694 /nfs/dbraw/zinc/39/46/94/618394694.db2.gz RMZCQRRDRHMQJA-SJLPKXTDSA-N 3 1 321.534 3.062 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)[C@@H](C)C1 ZINC000925078036 618421539 /nfs/dbraw/zinc/42/15/39/618421539.db2.gz IRSKNYNKWIICFG-WMZOPIPTSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000925504091 618422117 /nfs/dbraw/zinc/42/21/17/618422117.db2.gz PHULLZBGFLVXJA-INIZCTEOSA-N 2 1 322.880 3.118 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4c3NCCC4)C2)CC1 ZINC000894779643 618454464 /nfs/dbraw/zinc/45/44/64/618454464.db2.gz KYEPZOBDNLLJOQ-GOSISDBHSA-N 2 1 313.489 3.208 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780964 618456081 /nfs/dbraw/zinc/45/60/81/618456081.db2.gz BKAMFQYRDDILBK-SWLSCSKDSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780964 618456086 /nfs/dbraw/zinc/45/60/86/618456086.db2.gz BKAMFQYRDDILBK-SWLSCSKDSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780964 618456088 /nfs/dbraw/zinc/45/60/88/618456088.db2.gz BKAMFQYRDDILBK-SWLSCSKDSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780964 618456091 /nfs/dbraw/zinc/45/60/91/618456091.db2.gz BKAMFQYRDDILBK-SWLSCSKDSA-N 2 1 304.459 3.379 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894861073 618481030 /nfs/dbraw/zinc/48/10/30/618481030.db2.gz OQEVJDNVVUWVGX-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000925557536 618492756 /nfs/dbraw/zinc/49/27/56/618492756.db2.gz CBNSMBXUDHUBLX-NWDGAFQWSA-N 2 1 305.447 3.399 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000925588212 618501769 /nfs/dbraw/zinc/50/17/69/618501769.db2.gz OXKVFROHGGCVOD-QRQLOZEOSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Cl)c1 ZINC000925778517 618616772 /nfs/dbraw/zinc/61/67/72/618616772.db2.gz JSSMXTFSAKRLFG-GXSJLCMTSA-N 2 1 306.759 3.375 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781116 618618219 /nfs/dbraw/zinc/61/82/19/618618219.db2.gz WQXPLHUAGIOERV-YPMHNXCESA-N 2 1 300.418 3.304 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c(C)s1 ZINC000925848151 618645675 /nfs/dbraw/zinc/64/56/75/618645675.db2.gz AXZKKKQLJHVWOB-OAHLLOKOSA-N 2 1 309.523 3.091 20 0 DGADMP Cc1ccccc1[C@@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000893913062 618675284 /nfs/dbraw/zinc/67/52/84/618675284.db2.gz LXXBWRUNKUEJTG-PRRWFZGNSA-N 2 1 315.505 3.201 20 0 DGADMP Cc1ncoc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000893995478 618688922 /nfs/dbraw/zinc/68/89/22/618688922.db2.gz LTEGWPWFGHRKEV-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c2c(n1)CCCC2 ZINC000894037854 618697617 /nfs/dbraw/zinc/69/76/17/618697617.db2.gz UFVKFVCLKUXQHR-QGZVFWFLSA-N 2 1 301.478 3.185 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c2c(n1)CCCC2 ZINC000894037854 618697620 /nfs/dbraw/zinc/69/76/20/618697620.db2.gz UFVKFVCLKUXQHR-QGZVFWFLSA-N 2 1 301.478 3.185 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894086542 618705463 /nfs/dbraw/zinc/70/54/63/618705463.db2.gz IKSDTKZNUWILOW-KRWDZBQOSA-N 2 1 313.489 3.208 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894086542 618705464 /nfs/dbraw/zinc/70/54/64/618705464.db2.gz IKSDTKZNUWILOW-KRWDZBQOSA-N 2 1 313.489 3.208 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894086542 618705466 /nfs/dbraw/zinc/70/54/66/618705466.db2.gz IKSDTKZNUWILOW-KRWDZBQOSA-N 2 1 313.489 3.208 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894086542 618705468 /nfs/dbraw/zinc/70/54/68/618705468.db2.gz IKSDTKZNUWILOW-KRWDZBQOSA-N 2 1 313.489 3.208 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)cc12 ZINC000894153553 618720723 /nfs/dbraw/zinc/72/07/23/618720723.db2.gz KFARPLZPKBOAEH-UHFFFAOYSA-N 2 1 324.428 3.143 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCC[N@H+](C)Cc3ccccc3)cc12 ZINC000894153553 618720724 /nfs/dbraw/zinc/72/07/24/618720724.db2.gz KFARPLZPKBOAEH-UHFFFAOYSA-N 2 1 324.428 3.143 20 0 DGADMP Oc1cccc2sc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000894186947 618726115 /nfs/dbraw/zinc/72/61/15/618726115.db2.gz FKMQDTQWVVPZOJ-OLZOCXBDSA-N 2 1 302.443 3.323 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000894234949 618735650 /nfs/dbraw/zinc/73/56/50/618735650.db2.gz YONAWDNKMRONCF-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2(Br)CC2)C1 ZINC000924960076 618750088 /nfs/dbraw/zinc/75/00/88/618750088.db2.gz OBTWXOOUQJXOCR-CHWSQXEVSA-N 2 1 303.288 3.012 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000924966029 618752398 /nfs/dbraw/zinc/75/23/98/618752398.db2.gz CHVHJRXNHHOKMS-GOSISDBHSA-N 2 1 302.462 3.480 20 0 DGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)C1CCCC1 ZINC000924968773 618753120 /nfs/dbraw/zinc/75/31/20/618753120.db2.gz FFPMEYKTYBWSEN-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)C1CCCC1 ZINC000924968773 618753121 /nfs/dbraw/zinc/75/31/21/618753121.db2.gz FFPMEYKTYBWSEN-LPHOPBHVSA-N 2 1 301.478 3.257 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895539709 618796717 /nfs/dbraw/zinc/79/67/17/618796717.db2.gz BUMGAUIGFKCPTE-QOJCHSLYSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895539709 618796719 /nfs/dbraw/zinc/79/67/19/618796719.db2.gz BUMGAUIGFKCPTE-QOJCHSLYSA-N 2 1 314.473 3.369 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1O ZINC000895685676 618818962 /nfs/dbraw/zinc/81/89/62/618818962.db2.gz MVHPLKWYGOZCPI-UHFFFAOYSA-N 2 1 306.450 3.099 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000895858257 618843005 /nfs/dbraw/zinc/84/30/05/618843005.db2.gz LFFGHCRZGPUZMW-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH+](C)CC[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1cccnc1 ZINC000896722013 618948241 /nfs/dbraw/zinc/94/82/41/618948241.db2.gz XJDXMBPLQFEVPT-UFYCRDLUSA-N 2 1 309.457 3.468 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccnc1 ZINC000896722013 618948245 /nfs/dbraw/zinc/94/82/45/618948245.db2.gz XJDXMBPLQFEVPT-UFYCRDLUSA-N 2 1 309.457 3.468 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000909598694 619053855 /nfs/dbraw/zinc/05/38/55/619053855.db2.gz UOZNZXRNGZHXFS-GOSISDBHSA-N 2 1 315.461 3.012 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925221412 619080430 /nfs/dbraw/zinc/08/04/30/619080430.db2.gz NGMCPYYWBXUMGX-TXPKVOOTSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925221412 619080431 /nfs/dbraw/zinc/08/04/31/619080431.db2.gz NGMCPYYWBXUMGX-TXPKVOOTSA-N 2 1 310.445 3.038 20 0 DGADMP CC(C)[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925229253 619086093 /nfs/dbraw/zinc/08/60/93/619086093.db2.gz TXGFFISGCXYMSS-RAFMOHDBSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000897814132 619181352 /nfs/dbraw/zinc/18/13/52/619181352.db2.gz IKBWTRGBJZXABW-UFYFJSFASA-N 2 1 309.413 3.007 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924665373 619254836 /nfs/dbraw/zinc/25/48/36/619254836.db2.gz KYZLTBGHGKXVJX-UHFFFAOYSA-N 2 1 317.477 3.245 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000924683698 619256930 /nfs/dbraw/zinc/25/69/30/619256930.db2.gz AUQFEUAMHDQWBG-NZSAHSFTSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924683771 619256990 /nfs/dbraw/zinc/25/69/90/619256990.db2.gz BKJJASGKBCWKKU-QFBILLFUSA-N 2 1 308.510 3.436 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518344 619283365 /nfs/dbraw/zinc/28/33/65/619283365.db2.gz GBVMSZMGCNPSMM-RSPOEFSDSA-N 2 1 316.489 3.159 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCSC4)C[C@@H]3C2)cc1 ZINC000898522990 619283962 /nfs/dbraw/zinc/28/39/62/619283962.db2.gz WRXNCBMLVUTVCK-WJFTUGDTSA-N 2 1 316.514 3.382 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924750640 619313483 /nfs/dbraw/zinc/31/34/83/619313483.db2.gz GSXQWGSIUSFCMH-NXHRZFHOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924750640 619313486 /nfs/dbraw/zinc/31/34/86/619313486.db2.gz GSXQWGSIUSFCMH-NXHRZFHOSA-N 2 1 308.510 3.292 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755931 619337054 /nfs/dbraw/zinc/33/70/54/619337054.db2.gz XRLWXPATJMLZMA-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755931 619337055 /nfs/dbraw/zinc/33/70/55/619337055.db2.gz XRLWXPATJMLZMA-WBVHZDCISA-N 2 1 304.482 3.066 20 0 DGADMP [NH3+][C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)C1CCCCCC1 ZINC000900016144 619390281 /nfs/dbraw/zinc/39/02/81/619390281.db2.gz KHSDLULLUQBZJH-DKUMPPAJSA-N 2 1 304.438 3.038 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000924769960 619391129 /nfs/dbraw/zinc/39/11/29/619391129.db2.gz MTUXNKBPFHURJX-CABLIKTCSA-N 2 1 308.510 3.148 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000924769960 619391132 /nfs/dbraw/zinc/39/11/32/619391132.db2.gz MTUXNKBPFHURJX-CABLIKTCSA-N 2 1 308.510 3.148 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1(Cl)CC1 ZINC000924778643 619454925 /nfs/dbraw/zinc/45/49/25/619454925.db2.gz VLVAMLDRISJUMM-HUUCEWRRSA-N 2 1 322.880 3.157 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1(Cl)CC1 ZINC000924778643 619454926 /nfs/dbraw/zinc/45/49/26/619454926.db2.gz VLVAMLDRISJUMM-HUUCEWRRSA-N 2 1 322.880 3.157 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000902255550 619607674 /nfs/dbraw/zinc/60/76/74/619607674.db2.gz ABDZSOSADVXRDM-CALCHBBNSA-N 2 1 319.493 3.016 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000902299833 619615856 /nfs/dbraw/zinc/61/58/56/619615856.db2.gz FGLKOTDCFMBKJZ-UHFFFAOYSA-N 2 1 319.493 3.016 20 0 DGADMP C[C@@H]1[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000902384974 619629380 /nfs/dbraw/zinc/62/93/80/619629380.db2.gz QMKVGCHWNPIFTN-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000902384974 619629382 /nfs/dbraw/zinc/62/93/82/619629382.db2.gz QMKVGCHWNPIFTN-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000902414250 619637478 /nfs/dbraw/zinc/63/74/78/619637478.db2.gz UNPBGTPKPXTBQA-LBPRGKRZSA-N 2 1 315.642 3.171 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1OCCC ZINC000902414944 619637972 /nfs/dbraw/zinc/63/79/72/619637972.db2.gz HQYTXUHKPFZWAN-CQSZACIVSA-N 2 1 306.450 3.406 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902484233 619645817 /nfs/dbraw/zinc/64/58/17/619645817.db2.gz VAGMFJCOVYCMQY-HUUCEWRRSA-N 2 1 300.450 3.006 20 0 DGADMP CNc1ccc(C)cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000902606252 619657969 /nfs/dbraw/zinc/65/79/69/619657969.db2.gz VZQFWJKRRUIWEB-UXHICEINSA-N 2 1 323.484 3.472 20 0 DGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC(C)C ZINC000902740675 619665707 /nfs/dbraw/zinc/66/57/07/619665707.db2.gz ZQOZLCGRAZSLIB-GFAIHXBESA-N 2 1 308.510 3.146 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2cccnc2)CC1 ZINC000902727795 619666383 /nfs/dbraw/zinc/66/63/83/619666383.db2.gz CMQILXOTUJUBFC-FQEVSTJZSA-N 2 1 309.457 3.439 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902728612 619666730 /nfs/dbraw/zinc/66/67/30/619666730.db2.gz XWCBWGIDAGQRLD-FQEVSTJZSA-N 2 1 309.457 3.439 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)C[NH+]1CCCC1 ZINC000902754342 619670616 /nfs/dbraw/zinc/67/06/16/619670616.db2.gz ABACAFCPBPOQPV-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000902757344 619671218 /nfs/dbraw/zinc/67/12/18/619671218.db2.gz RGFWZVAPNFRCHL-IRXDYDNUSA-N 2 1 314.433 3.013 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)C1 ZINC000902792749 619677336 /nfs/dbraw/zinc/67/73/36/619677336.db2.gz CZAAJDKDPWZGJW-LNLFQRSKSA-N 2 1 316.489 3.336 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000902797083 619678206 /nfs/dbraw/zinc/67/82/06/619678206.db2.gz TUZKRWXKWSNPKR-DOXZYTNZSA-N 2 1 302.462 3.250 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799617 619678487 /nfs/dbraw/zinc/67/84/87/619678487.db2.gz GGVDDEKALUHNHY-GFAIHXBESA-N 2 1 320.521 3.290 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902799617 619678489 /nfs/dbraw/zinc/67/84/89/619678489.db2.gz GGVDDEKALUHNHY-GFAIHXBESA-N 2 1 320.521 3.290 20 0 DGADMP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000902895834 619690060 /nfs/dbraw/zinc/69/00/60/619690060.db2.gz DGPONWNDQSLVOO-AUUYWEPGSA-N 2 1 300.446 3.170 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2[C@H](C)CC[C@H](C)[C@@H]2C)CC1 ZINC000903065079 619709528 /nfs/dbraw/zinc/70/95/28/619709528.db2.gz GMGCYTNQDABZSW-ZSYWTGECSA-N 2 1 309.542 3.064 20 0 DGADMP Clc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903082158 619712593 /nfs/dbraw/zinc/71/25/93/619712593.db2.gz QJJSVIDOQBVCRY-ZXFUBFMLSA-N 2 1 320.864 3.466 20 0 DGADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113344 619719797 /nfs/dbraw/zinc/71/97/97/619719797.db2.gz NFMIANXBTQVXFO-IBWRZXHSSA-N 2 1 320.502 3.308 20 0 DGADMP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903126982 619722442 /nfs/dbraw/zinc/72/24/42/619722442.db2.gz VMQMMJFGTSENOX-ZNXRZULTSA-N 2 1 306.494 3.331 20 0 DGADMP CC(C)OC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903128367 619722921 /nfs/dbraw/zinc/72/29/21/619722921.db2.gz XDIXYPSUNMGZIP-JTEKQCGQSA-N 2 1 306.494 3.470 20 0 DGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)C2 ZINC000903132360 619723250 /nfs/dbraw/zinc/72/32/50/619723250.db2.gz YQAJUGSQTLNACA-AEEMFMOKSA-N 2 1 324.559 3.113 20 0 DGADMP c1cnc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2c1 ZINC000903163189 619728115 /nfs/dbraw/zinc/72/81/15/619728115.db2.gz BEXQPPZBKGSIAR-JLYLLQBASA-N 2 1 307.441 3.482 20 0 DGADMP C[C@@H](C[NH2+][C@H](c1ccccc1F)C1CCOCC1)C[NH+](C)C ZINC000903174101 619729938 /nfs/dbraw/zinc/72/99/38/619729938.db2.gz DERHIPVTXWNNKZ-KSSFIOAISA-N 2 1 308.441 3.081 20 0 DGADMP Cc1ccc([C@H](O)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903169509 619733115 /nfs/dbraw/zinc/73/31/15/619733115.db2.gz BPCCURZHWYPAQK-SIOWJKJVSA-N 2 1 314.473 3.164 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1([C@@H]2CCCCO2)CCC1 ZINC000903213506 619739493 /nfs/dbraw/zinc/73/94/93/619739493.db2.gz RNNFXSAOITVDGF-DQXYTYHJSA-N 2 1 318.505 3.473 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903217360 619740281 /nfs/dbraw/zinc/74/02/81/619740281.db2.gz VPIDQFXRDJBFEH-CUCSMPGESA-N 2 1 314.473 3.246 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000903253550 619745358 /nfs/dbraw/zinc/74/53/58/619745358.db2.gz LTFPHQXFDTVGCK-LJHLBFKCSA-N 3 1 319.537 3.246 20 0 DGADMP CN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000903253550 619745359 /nfs/dbraw/zinc/74/53/59/619745359.db2.gz LTFPHQXFDTVGCK-LJHLBFKCSA-N 2 1 319.537 3.246 20 0 DGADMP CC1(C)CC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)OC1 ZINC000903247830 619748318 /nfs/dbraw/zinc/74/83/18/619748318.db2.gz XTXCOZTXDCXDGC-ONQFOCNCSA-N 2 1 306.494 3.329 20 0 DGADMP Cc1ccc(CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]2CCCO2)cc1 ZINC000903439521 619775413 /nfs/dbraw/zinc/77/54/13/619775413.db2.gz JKNXARXIJKYAAE-AABGKKOBSA-N 2 1 316.489 3.146 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000903441331 619775803 /nfs/dbraw/zinc/77/58/03/619775803.db2.gz NYGAEQBBSSMYGX-LTIDMASMSA-N 2 1 322.518 3.272 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1CC[NH3+] ZINC000903461468 619777407 /nfs/dbraw/zinc/77/74/07/619777407.db2.gz UVUTYYIGKOSYOH-MWQQHZPXSA-N 2 1 308.416 3.485 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)[C@@H]1c1ccccc1 ZINC000903446101 619778362 /nfs/dbraw/zinc/77/83/62/619778362.db2.gz SXCPCZAMNOZSPW-XSLAGTTESA-N 2 1 320.427 3.499 20 0 DGADMP FC1(F)[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)[C@@H]1c1ccccc1 ZINC000903481415 619780725 /nfs/dbraw/zinc/78/07/25/619780725.db2.gz BHWQLWMRMAPENM-JYJNAYRXSA-N 2 1 306.400 3.300 20 0 DGADMP CCSc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479732 619780801 /nfs/dbraw/zinc/78/08/01/619780801.db2.gz XMOIDQKGSDGMLD-CHWSQXEVSA-N 2 1 318.408 3.368 20 0 DGADMP CCSc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479732 619780802 /nfs/dbraw/zinc/78/08/02/619780802.db2.gz XMOIDQKGSDGMLD-CHWSQXEVSA-N 2 1 318.408 3.368 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c(C)nn1 ZINC000903482555 619781100 /nfs/dbraw/zinc/78/11/00/619781100.db2.gz KRWONJIGDXERAU-LPHOPBHVSA-N 2 1 316.493 3.213 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1CC[NH3+] ZINC000903497317 619782181 /nfs/dbraw/zinc/78/21/81/619782181.db2.gz VPXQTTBVWXONSR-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP c1ccc([C@@]23C[C@@H]2C[N@H+](Cc2cccc4c2CC[NH2+]C4)C3)cc1 ZINC000903490819 619782225 /nfs/dbraw/zinc/78/22/25/619782225.db2.gz JJIVIZXLXXXLMW-CTNGQTDRSA-N 2 1 304.437 3.106 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2COC(C)(C)C)cc1 ZINC000903563950 619783484 /nfs/dbraw/zinc/78/34/84/619783484.db2.gz MSCDNHZGFNBFMG-IAGOWNOFSA-N 2 1 320.477 3.017 20 0 DGADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1)[C@@H]1CCC[NH2+]C1 ZINC000903565983 619783758 /nfs/dbraw/zinc/78/37/58/619783758.db2.gz WIKJYZFPOOALOQ-LSDHHAIUSA-N 2 1 319.518 3.201 20 0 DGADMP C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCCC[NH2+]C1 ZINC000903719025 619803063 /nfs/dbraw/zinc/80/30/63/619803063.db2.gz UEYNOEFHVIEZSP-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCCC[NH2+]C1 ZINC000903719025 619803066 /nfs/dbraw/zinc/80/30/66/619803066.db2.gz UEYNOEFHVIEZSP-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722490 619803798 /nfs/dbraw/zinc/80/37/98/619803798.db2.gz BJZXTTCBXKHMOQ-XYPHTWIQSA-N 2 1 308.853 3.101 20 0 DGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724636 619804443 /nfs/dbraw/zinc/80/44/43/619804443.db2.gz OUVLXEWLSWDRAJ-FGTMMUONSA-N 2 1 320.864 3.246 20 0 DGADMP Clc1ccc(C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725102 619804643 /nfs/dbraw/zinc/80/46/43/619804643.db2.gz WRDMMHYCZPMOOQ-ZWKOTPCHSA-N 2 1 320.864 3.073 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903727573 619805427 /nfs/dbraw/zinc/80/54/27/619805427.db2.gz VHNQBDPSVXUEKW-AABGKKOBSA-N 2 1 314.473 3.025 20 0 DGADMP c1ccc2oc([C@@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903733820 619807690 /nfs/dbraw/zinc/80/76/90/619807690.db2.gz REAGZAYRZCOMMQ-HZPDHXFCSA-N 2 1 313.445 3.397 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2CF)CC[C@H]1C(F)(F)F ZINC000903769655 619810275 /nfs/dbraw/zinc/81/02/75/619810275.db2.gz LLSGDVAUTDGUTH-ZIAGYGMSSA-N 2 1 304.331 3.115 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2CF)CC[C@H]1C(F)(F)F ZINC000903769655 619810278 /nfs/dbraw/zinc/81/02/78/619810278.db2.gz LLSGDVAUTDGUTH-ZIAGYGMSSA-N 2 1 304.331 3.115 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)[nH]n1 ZINC000903781064 619813072 /nfs/dbraw/zinc/81/30/72/619813072.db2.gz NGBRRVLGGGZFIQ-HZPDHXFCSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781064 619813075 /nfs/dbraw/zinc/81/30/75/619813075.db2.gz NGBRRVLGGGZFIQ-HZPDHXFCSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781064 619813078 /nfs/dbraw/zinc/81/30/78/619813078.db2.gz NGBRRVLGGGZFIQ-HZPDHXFCSA-N 2 1 304.482 3.102 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903784237 619813455 /nfs/dbraw/zinc/81/34/55/619813455.db2.gz MFYACKHLNMRXHI-CVEARBPZSA-N 2 1 307.507 3.096 20 0 DGADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cs1 ZINC000903811846 619817816 /nfs/dbraw/zinc/81/78/16/619817816.db2.gz OORFXAYOQYIJHL-HNNXBMFYSA-N 2 1 322.474 3.018 20 0 DGADMP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cs1 ZINC000903811846 619817819 /nfs/dbraw/zinc/81/78/19/619817819.db2.gz OORFXAYOQYIJHL-HNNXBMFYSA-N 2 1 322.474 3.018 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cccc3c2CCOC3)CCC1 ZINC000903812114 619818395 /nfs/dbraw/zinc/81/83/95/619818395.db2.gz QELMJKIPOIMLJV-IBGZPJMESA-N 2 1 314.473 3.243 20 0 DGADMP CC(C)(C)c1cccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818707 619818767 /nfs/dbraw/zinc/81/87/67/619818767.db2.gz UMLSMPMRVFKHGE-UHFFFAOYSA-N 2 1 316.489 3.329 20 0 DGADMP c1cc(C[N@H+]2CCCSC[C@H]2C2CC2)c2c(c1)C[NH2+]CC2 ZINC000903826365 619820193 /nfs/dbraw/zinc/82/01/93/619820193.db2.gz JRIKPUXBTVZAAR-SFHVURJKSA-N 2 1 302.487 3.050 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)nc1 ZINC000903831088 619821048 /nfs/dbraw/zinc/82/10/48/619821048.db2.gz DAPBZGRBWGFUBL-HXUWFJFHSA-N 2 1 323.440 3.073 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000903838241 619821835 /nfs/dbraw/zinc/82/18/35/619821835.db2.gz AIHYXWQROVAFEO-HXFGRODQSA-N 2 1 300.446 3.108 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccc(Cl)cc1Cl)C2 ZINC000903850258 619823812 /nfs/dbraw/zinc/82/38/12/619823812.db2.gz NEWTVONICYUBFL-DRZSPHRISA-N 2 1 315.244 3.184 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccc(Cl)cc1Cl)C2 ZINC000903850258 619823815 /nfs/dbraw/zinc/82/38/15/619823815.db2.gz NEWTVONICYUBFL-DRZSPHRISA-N 2 1 315.244 3.184 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923170 619834504 /nfs/dbraw/zinc/83/45/04/619834504.db2.gz NFPAPJUXRHQPMH-CABZTGNLSA-N 2 1 310.310 3.209 20 0 DGADMP Cn1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000903959480 619839953 /nfs/dbraw/zinc/83/99/53/619839953.db2.gz ISGRYVOCDDJBHW-HXUWFJFHSA-N 2 1 324.472 3.053 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960156 619840142 /nfs/dbraw/zinc/84/01/42/619840142.db2.gz YCEILGOOPNFBCR-LPHOPBHVSA-N 2 1 300.446 3.018 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000903947493 619843990 /nfs/dbraw/zinc/84/39/90/619843990.db2.gz XMQCNSUPONLGEF-UHFFFAOYSA-N 2 1 316.367 3.331 20 0 DGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000903949141 619844634 /nfs/dbraw/zinc/84/46/34/619844634.db2.gz YXJCJCDNLFVOAR-OTHOMEOQSA-N 2 1 306.494 3.046 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000903955387 619846142 /nfs/dbraw/zinc/84/61/42/619846142.db2.gz QPMIDHVFPXYXKV-SNVBAGLBSA-N 2 1 309.187 3.328 20 0 DGADMP FC(F)(F)c1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903954898 619846152 /nfs/dbraw/zinc/84/61/52/619846152.db2.gz IHTBQMDGNGQYGT-GFCCVEGCSA-N 2 1 308.294 3.040 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973000 619847633 /nfs/dbraw/zinc/84/76/33/619847633.db2.gz NAZGRKFCJWMTQJ-FHWLQOOXSA-N 2 1 314.473 3.071 20 0 DGADMP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903972679 619847657 /nfs/dbraw/zinc/84/76/57/619847657.db2.gz JUVMERIJDYSEML-IEBWSBKVSA-N 2 1 316.489 3.064 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@H]1CC[NH3+] ZINC000903976783 619848254 /nfs/dbraw/zinc/84/82/54/619848254.db2.gz ALORYRFXFXNOER-RHSMWYFYSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000903977264 619848614 /nfs/dbraw/zinc/84/86/14/619848614.db2.gz NCVPFBSOBYXXOP-ZYHUDNBSSA-N 2 1 304.331 3.261 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000904299765 619911037 /nfs/dbraw/zinc/91/10/37/619911037.db2.gz NUESCLIOLNYZNR-HNNXBMFYSA-N 2 1 300.377 3.399 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904314053 619912110 /nfs/dbraw/zinc/91/21/10/619912110.db2.gz RCRCUTSUDDNTDK-HKUYNNGSSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1ccc(C(=O)C2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000904312906 619912239 /nfs/dbraw/zinc/91/22/39/619912239.db2.gz PMFBWCPQAIYAOG-FQEVSTJZSA-N 2 1 314.473 3.279 20 0 DGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904339903 619914677 /nfs/dbraw/zinc/91/46/77/619914677.db2.gz ALNZLVUKNQHASO-CPUCHLNUSA-N 2 1 322.880 3.340 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1)CC1CC1 ZINC000904343572 619914896 /nfs/dbraw/zinc/91/48/96/619914896.db2.gz VRRNXVACYLOZEG-FQEVSTJZSA-N 2 1 321.553 3.210 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OCCC(C)C ZINC000904404940 619920050 /nfs/dbraw/zinc/92/00/50/619920050.db2.gz BPWQABHBDXHHNY-INIZCTEOSA-N 2 1 320.477 3.291 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904405551 619920147 /nfs/dbraw/zinc/92/01/47/619920147.db2.gz NPVCIOAZNAREMZ-MRXNPFEDSA-N 2 1 310.445 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1C[NH3+] ZINC000904411062 619920619 /nfs/dbraw/zinc/92/06/19/619920619.db2.gz JKLBRQIACDIPSQ-NEPJUHHUSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1C[NH3+] ZINC000904411065 619920690 /nfs/dbraw/zinc/92/06/90/619920690.db2.gz JKLBRQIACDIPSQ-NWDGAFQWSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000904412811 619921012 /nfs/dbraw/zinc/92/10/12/619921012.db2.gz ZLRXRBOAYSPIQU-PWSUYJOCSA-N 2 1 304.331 3.261 20 0 DGADMP [NH3+][C@H]1CN(c2cc[nH+]c3ccsc32)CC[C@H]1C(F)(F)F ZINC000905717472 620020514 /nfs/dbraw/zinc/02/05/14/620020514.db2.gz HJUPQNOUSTXCBW-BDAKNGLRSA-N 2 1 301.337 3.012 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906198990 620074883 /nfs/dbraw/zinc/07/48/83/620074883.db2.gz ZIGDTJOFAHFFPU-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccnnc1 ZINC000924855434 620429512 /nfs/dbraw/zinc/42/95/12/620429512.db2.gz JSOUGHQSVQOIRS-HNNXBMFYSA-N 2 1 302.466 3.172 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921979588 620975969 /nfs/dbraw/zinc/97/59/69/620975969.db2.gz GSNCATKCZRSOGJ-YJBOKZPZSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@H]([NH2+]Cc1cccc2c1OCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921979588 620975970 /nfs/dbraw/zinc/97/59/70/620975970.db2.gz GSNCATKCZRSOGJ-YJBOKZPZSA-N 2 1 314.473 3.364 20 0 DGADMP C[C@H](CC[NH2+]Cc1cnn(CC2CCC2)c1)[NH+]1CCCCC1 ZINC000921989596 620977315 /nfs/dbraw/zinc/97/73/15/620977315.db2.gz GCOPKHVNPGQAFH-MRXNPFEDSA-N 2 1 304.482 3.037 20 0 DGADMP CSCc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000922024154 620981828 /nfs/dbraw/zinc/98/18/28/620981828.db2.gz HMAVGXMCQHSBAT-INIZCTEOSA-N 2 1 301.459 3.098 20 0 DGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182029 621002046 /nfs/dbraw/zinc/00/20/46/621002046.db2.gz DREIFLYKMILMIL-FJIDUMEYSA-N 2 1 319.518 3.338 20 0 DGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182029 621002049 /nfs/dbraw/zinc/00/20/49/621002049.db2.gz DREIFLYKMILMIL-FJIDUMEYSA-N 2 1 319.518 3.338 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cnc2ccccc2c1 ZINC000922704990 621086178 /nfs/dbraw/zinc/08/61/78/621086178.db2.gz VCMKLGDOUKMOBK-UHFFFAOYSA-N 2 1 306.413 3.028 20 0 DGADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000857849764 621122546 /nfs/dbraw/zinc/12/25/46/621122546.db2.gz KQQNKMUJUNMRKB-IBGZPJMESA-N 2 1 324.472 3.289 20 0 DGADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000857853136 621123117 /nfs/dbraw/zinc/12/31/17/621123117.db2.gz LVFPTARGQNXZBZ-KRWDZBQOSA-N 2 1 304.482 3.423 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857856428 621123123 /nfs/dbraw/zinc/12/31/23/621123123.db2.gz KXISXOAUGFDTDA-QGZVFWFLSA-N 2 1 304.482 3.135 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1(C)C ZINC000858133356 621156164 /nfs/dbraw/zinc/15/61/64/621156164.db2.gz SWUFMWGUWMBNMO-MOPGFXCFSA-N 2 1 312.457 3.336 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1(C)C ZINC000858139595 621156822 /nfs/dbraw/zinc/15/68/22/621156822.db2.gz WVPZICIYTJDTTC-ZWKOTPCHSA-N 2 1 318.505 3.480 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1(C)C ZINC000858148797 621158713 /nfs/dbraw/zinc/15/87/13/621158713.db2.gz LKNILMHNPOCNEZ-LXPRWKDFSA-N 3 1 307.526 3.246 20 0 DGADMP CN1CC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1(C)C ZINC000858148797 621158716 /nfs/dbraw/zinc/15/87/16/621158716.db2.gz LKNILMHNPOCNEZ-LXPRWKDFSA-N 2 1 307.526 3.246 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289216 621172278 /nfs/dbraw/zinc/17/22/78/621172278.db2.gz NYKUXYHMUNEQMB-ZIBATOQPSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289216 621172280 /nfs/dbraw/zinc/17/22/80/621172280.db2.gz NYKUXYHMUNEQMB-ZIBATOQPSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccccc2)O1 ZINC000923308186 621173464 /nfs/dbraw/zinc/17/34/64/621173464.db2.gz GBCNQJGLVQJAGT-MWDBYQCVSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316732 621174906 /nfs/dbraw/zinc/17/49/06/621174906.db2.gz NFYQASANPIPDPF-GRDNDAEWSA-N 2 1 322.880 3.142 20 0 DGADMP c1cc([C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cs1 ZINC000923318019 621175028 /nfs/dbraw/zinc/17/50/28/621175028.db2.gz WHTWDMPMJMGCFN-CVGRLMLNSA-N 2 1 306.475 3.042 20 0 DGADMP c1cc([C@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cs1 ZINC000923318019 621175031 /nfs/dbraw/zinc/17/50/31/621175031.db2.gz WHTWDMPMJMGCFN-CVGRLMLNSA-N 2 1 306.475 3.042 20 0 DGADMP c1cc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2)n[nH]1 ZINC000923323567 621176523 /nfs/dbraw/zinc/17/65/23/621176523.db2.gz JFHYOZRGMPHYKU-YQQQUEKLSA-N 2 1 324.472 3.333 20 0 DGADMP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000923345636 621178598 /nfs/dbraw/zinc/17/85/98/621178598.db2.gz MDYVZMOOIMPGCG-ONERCXAPSA-N 2 1 317.260 3.086 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000923345636 621178600 /nfs/dbraw/zinc/17/86/00/621178600.db2.gz MDYVZMOOIMPGCG-ONERCXAPSA-N 2 1 317.260 3.086 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000923359861 621179343 /nfs/dbraw/zinc/17/93/43/621179343.db2.gz WCMFPLIIAUCKJH-HUUCEWRRSA-N 2 1 305.466 3.184 20 0 DGADMP Fc1cccc([C@@H]2COCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923387240 621180737 /nfs/dbraw/zinc/18/07/37/621180737.db2.gz CCOUQHYRFTZGLO-JVPQYHMTSA-N 2 1 318.436 3.120 20 0 DGADMP Fc1cccc([C@@H]2COCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923387240 621180740 /nfs/dbraw/zinc/18/07/40/621180740.db2.gz CCOUQHYRFTZGLO-JVPQYHMTSA-N 2 1 318.436 3.120 20 0 DGADMP C(C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923391657 621180982 /nfs/dbraw/zinc/18/09/82/621180982.db2.gz ZIYOEKZKVVYQLW-FGLHZPMASA-N 2 1 306.494 3.188 20 0 DGADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923416236 621181879 /nfs/dbraw/zinc/18/18/79/621181879.db2.gz UVKWIUFHOXIQLX-RGPMPMONSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482079 621187371 /nfs/dbraw/zinc/18/73/71/621187371.db2.gz NVQGGEXXJBCRQR-NEPJUHHUSA-N 2 1 302.340 3.317 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000923484477 621187444 /nfs/dbraw/zinc/18/74/44/621187444.db2.gz KBKIBRGPYFGAOC-INIZCTEOSA-N 2 1 320.440 3.172 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000923480561 621187475 /nfs/dbraw/zinc/18/74/75/621187475.db2.gz JEUVQQXLHYNDGF-LLVKDONJSA-N 2 1 323.234 3.366 20 0 DGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502057 621187893 /nfs/dbraw/zinc/18/78/93/621187893.db2.gz XAPSKIIXEYNCLT-PMPSAXMXSA-N 2 1 317.477 3.054 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923493105 621187940 /nfs/dbraw/zinc/18/79/40/621187940.db2.gz STQZUJATHBGTJN-JKSUJKDBSA-N 2 1 317.477 3.116 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1C[NH3+] ZINC000923502163 621187975 /nfs/dbraw/zinc/18/79/75/621187975.db2.gz XTPQIBDFCLSBKR-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@H]1C[NH3+] ZINC000923502745 621188728 /nfs/dbraw/zinc/18/87/28/621188728.db2.gz YZJLRRRTRZFLHI-STQMWFEESA-N 2 1 319.449 3.366 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923502662 621188828 /nfs/dbraw/zinc/18/88/28/621188828.db2.gz YAIQYHIPIZPHCX-JKSUJKDBSA-N 2 1 311.429 3.291 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC000923500469 621189322 /nfs/dbraw/zinc/18/93/22/621189322.db2.gz RFTIITYKQWQCMW-GHMZBOCLSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500278 621189391 /nfs/dbraw/zinc/18/93/91/621189391.db2.gz WGGHAEZUZNHBHB-BZPMIXESSA-N 2 1 311.267 3.427 20 0 DGADMP Cc1csc(C[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923551348 621193261 /nfs/dbraw/zinc/19/32/61/621193261.db2.gz NHRJSCCQPMRYHM-IFFAKLHKSA-N 2 1 319.518 3.237 20 0 DGADMP C[C@]1(CNc2cc[nH+]c(CO)c2)CCC[N@H+]1Cc1ccccc1 ZINC000858490657 621197654 /nfs/dbraw/zinc/19/76/54/621197654.db2.gz LGAYMJSFFXQSHF-LJQANCHMSA-N 2 1 311.429 3.041 20 0 DGADMP COCc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000858490337 621197696 /nfs/dbraw/zinc/19/76/96/621197696.db2.gz GOWBPTMURPEXSY-JKSUJKDBSA-N 2 1 320.477 3.224 20 0 DGADMP CO[C@@H](C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000859213132 621260997 /nfs/dbraw/zinc/26/09/97/621260997.db2.gz RXYXUIURGRBBLE-IBGZPJMESA-N 2 1 304.478 3.385 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H](O)CN2CCCC2)C(C)(C)C)cc1 ZINC000859438809 621277616 /nfs/dbraw/zinc/27/76/16/621277616.db2.gz UVRDMIIYIZZEBJ-GOSISDBHSA-N 2 1 304.478 3.052 20 0 DGADMP Cc1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000859438809 621277618 /nfs/dbraw/zinc/27/76/18/621277618.db2.gz UVRDMIIYIZZEBJ-GOSISDBHSA-N 2 1 304.478 3.052 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000859438809 621277620 /nfs/dbraw/zinc/27/76/20/621277620.db2.gz UVRDMIIYIZZEBJ-GOSISDBHSA-N 2 1 304.478 3.052 20 0 DGADMP C(CCC[NH2+]C1CC[NH+](C2CC2)CC1)CCC[NH+]1CCCC1 ZINC000838938191 621306117 /nfs/dbraw/zinc/30/61/17/621306117.db2.gz YDJNPIAYANTGMZ-UHFFFAOYSA-N 3 1 307.526 3.249 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463550 621512010 /nfs/dbraw/zinc/51/20/10/621512010.db2.gz KUQWTPBHKDPNHJ-SQGPQFPESA-N 2 1 316.489 3.271 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464778 621512054 /nfs/dbraw/zinc/51/20/54/621512054.db2.gz LXLWVYTTZICYNB-XQQFMLRXSA-N 2 1 305.293 3.423 20 0 DGADMP C(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CCC[NH+]1CCCC1 ZINC000754795432 621533301 /nfs/dbraw/zinc/53/33/01/621533301.db2.gz ONGMYWAEDAVFEB-MOPGFXCFSA-N 3 1 307.526 3.249 20 0 DGADMP Cc1[nH+]ccn1CCCCOC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000754870833 621538797 /nfs/dbraw/zinc/53/87/97/621538797.db2.gz CXFLMIQIZBPAEL-UHFFFAOYSA-N 2 1 321.465 3.168 20 0 DGADMP Cc1[nH+]ccn1CCCCOC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000754870833 621538800 /nfs/dbraw/zinc/53/88/00/621538800.db2.gz CXFLMIQIZBPAEL-UHFFFAOYSA-N 2 1 321.465 3.168 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000756925665 621673260 /nfs/dbraw/zinc/67/32/60/621673260.db2.gz FTXUSEZJCCELFR-BHYGNILZSA-N 2 1 320.502 3.312 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000756925665 621673263 /nfs/dbraw/zinc/67/32/63/621673263.db2.gz FTXUSEZJCCELFR-BHYGNILZSA-N 2 1 320.502 3.312 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000863646353 621693472 /nfs/dbraw/zinc/69/34/72/621693472.db2.gz RWIUMXMFENDTGL-CJNGLKHVSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000863646353 621693474 /nfs/dbraw/zinc/69/34/74/621693474.db2.gz RWIUMXMFENDTGL-CJNGLKHVSA-N 2 1 323.362 3.194 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(Cl)c2C)CC1 ZINC000865413564 621914584 /nfs/dbraw/zinc/91/45/84/621914584.db2.gz NUYCONPITUNIRW-UHFFFAOYSA-N 2 1 323.912 3.156 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865414688 621915211 /nfs/dbraw/zinc/91/52/11/621915211.db2.gz GXBNVHRLQGMJDA-CYBMUJFWSA-N 2 1 313.848 3.476 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000865417777 621915846 /nfs/dbraw/zinc/91/58/46/621915846.db2.gz ACDRTFCPVGGGJD-UHFFFAOYSA-N 2 1 306.425 3.188 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000865438530 621921733 /nfs/dbraw/zinc/92/17/33/621921733.db2.gz CCHZGGTXPKRZLA-UHFFFAOYSA-N 2 1 317.286 3.019 20 0 DGADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1C(C)(C)C ZINC000865439489 621921797 /nfs/dbraw/zinc/92/17/97/621921797.db2.gz VWTUTODEDOYCOV-UHFFFAOYSA-N 2 1 301.434 3.287 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865449075 621924274 /nfs/dbraw/zinc/92/42/74/621924274.db2.gz PFYNJKMOFCLRHD-SNVBAGLBSA-N 2 1 313.232 3.319 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1c(Cl)cncc1Cl)C1CC1 ZINC000865595201 621958505 /nfs/dbraw/zinc/95/85/05/621958505.db2.gz DTTVDENURCQMLE-UHFFFAOYSA-N 2 1 302.249 3.352 20 0 DGADMP Cc1cc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2cc1F ZINC000865741866 621987006 /nfs/dbraw/zinc/98/70/06/621987006.db2.gz KZUKHLDFTHMOBZ-JKSUJKDBSA-N 2 1 315.436 3.374 20 0 DGADMP c1cncc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)c1 ZINC000865833155 622003363 /nfs/dbraw/zinc/00/33/63/622003363.db2.gz BLXXDOZUDGUODX-AABGKKOBSA-N 2 1 313.489 3.399 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866243293 622074304 /nfs/dbraw/zinc/07/43/04/622074304.db2.gz XRLNBEGRIARESI-KUHUBIRLSA-N 2 1 320.452 3.150 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263551 622078916 /nfs/dbraw/zinc/07/89/16/622078916.db2.gz QGKISIFCIUOFLY-NWDGAFQWSA-N 2 1 307.825 3.474 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866263551 622078919 /nfs/dbraw/zinc/07/89/19/622078919.db2.gz QGKISIFCIUOFLY-NWDGAFQWSA-N 2 1 307.825 3.474 20 0 DGADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000866262944 622079361 /nfs/dbraw/zinc/07/93/61/622079361.db2.gz JDRALCIXYMHQEH-DLBZAZTESA-N 2 1 311.473 3.487 20 0 DGADMP C([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393977 622109836 /nfs/dbraw/zinc/10/98/36/622109836.db2.gz UKXBVUZIPSPGAS-QRQLOZEOSA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000866474627 622123725 /nfs/dbraw/zinc/12/37/25/622123725.db2.gz YGXJXABVUZRGIV-YOEHRIQHSA-N 2 1 305.441 3.353 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000866488880 622126186 /nfs/dbraw/zinc/12/61/86/622126186.db2.gz WKLNEWMNWXOAEG-DKIMLUQUSA-N 2 1 304.503 3.381 20 0 DGADMP CC(C)[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866560300 622137926 /nfs/dbraw/zinc/13/79/26/622137926.db2.gz MUQUUCVVOMSKDB-LJQANCHMSA-N 2 1 307.526 3.246 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866562555 622138749 /nfs/dbraw/zinc/13/87/49/622138749.db2.gz STKDBSCXDURMHH-INIZCTEOSA-N 2 1 300.437 3.461 20 0 DGADMP FCC1(CF)CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866562555 622138750 /nfs/dbraw/zinc/13/87/50/622138750.db2.gz STKDBSCXDURMHH-INIZCTEOSA-N 2 1 300.437 3.461 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000866609579 622146222 /nfs/dbraw/zinc/14/62/22/622146222.db2.gz LCSRJMXVPRYCOA-SJORKVTESA-N 2 1 308.853 3.244 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866635703 622151257 /nfs/dbraw/zinc/15/12/57/622151257.db2.gz CTCGXWNOADPLLD-DKKFBQAASA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866635703 622151258 /nfs/dbraw/zinc/15/12/58/622151258.db2.gz CTCGXWNOADPLLD-DKKFBQAASA-N 2 1 304.478 3.036 20 0 DGADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCCC2CC2)CC1 ZINC000866669335 622154763 /nfs/dbraw/zinc/15/47/63/622154763.db2.gz YLNICQOCWPGJPK-UHFFFAOYSA-N 2 1 316.493 3.246 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000866718111 622159653 /nfs/dbraw/zinc/15/96/53/622159653.db2.gz WWSZLKBRGOIPKO-QGZVFWFLSA-N 2 1 302.462 3.264 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765073677 622243918 /nfs/dbraw/zinc/24/39/18/622243918.db2.gz LOLMFKKWGCURLJ-DOTOQJQBSA-N 2 1 312.461 3.173 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765073680 622244276 /nfs/dbraw/zinc/24/42/76/622244276.db2.gz LOLMFKKWGCURLJ-NVXWUHKLSA-N 2 1 312.461 3.173 20 0 DGADMP C[C@H]1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454012 622266277 /nfs/dbraw/zinc/26/62/77/622266277.db2.gz WKUNRIXDVOTISU-QFBILLFUSA-N 2 1 307.526 3.103 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000766138955 622308830 /nfs/dbraw/zinc/30/88/30/622308830.db2.gz HSIRDIHBTPJWCB-QGZVFWFLSA-N 2 1 306.450 3.008 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767459286 622400443 /nfs/dbraw/zinc/40/04/43/622400443.db2.gz UANZCZFKRNGUBR-CQSZACIVSA-N 2 1 322.412 3.361 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768303387 622449361 /nfs/dbraw/zinc/44/93/61/622449361.db2.gz NIFLVTYGUGMIET-UHFFFAOYSA-N 2 1 305.466 3.496 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768303387 622449363 /nfs/dbraw/zinc/44/93/63/622449363.db2.gz NIFLVTYGUGMIET-UHFFFAOYSA-N 2 1 305.466 3.496 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCSC3)C2)c1 ZINC000769015972 622492124 /nfs/dbraw/zinc/49/21/24/622492124.db2.gz AAEOGANRTFYMCE-CABCVRRESA-N 2 1 310.532 3.445 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCSC3)C2)c1 ZINC000769015972 622492128 /nfs/dbraw/zinc/49/21/28/622492128.db2.gz AAEOGANRTFYMCE-CABCVRRESA-N 2 1 310.532 3.445 20 0 DGADMP CCCCCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770394396 622629964 /nfs/dbraw/zinc/62/99/64/622629964.db2.gz HQQKZUNZMNTVDI-ROUUACIJSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)s1 ZINC000871784480 622696645 /nfs/dbraw/zinc/69/66/45/622696645.db2.gz GKTPKPXXWYIERU-LQDVMPOASA-N 2 1 307.463 3.236 20 0 DGADMP Cc1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000871784480 622696647 /nfs/dbraw/zinc/69/66/47/622696647.db2.gz GKTPKPXXWYIERU-LQDVMPOASA-N 2 1 307.463 3.236 20 0 DGADMP Cc1cccc(C)c1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784998 622697298 /nfs/dbraw/zinc/69/72/98/622697298.db2.gz DHGQJNDLEYVCCV-MQVJKMGUSA-N 2 1 301.434 3.175 20 0 DGADMP Cc1cccc(C)c1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784998 622697301 /nfs/dbraw/zinc/69/73/01/622697301.db2.gz DHGQJNDLEYVCCV-MQVJKMGUSA-N 2 1 301.434 3.175 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc3C2)CC1 ZINC000872029292 622762243 /nfs/dbraw/zinc/76/22/43/622762243.db2.gz VZGLXRDHRFRCEX-FQEVSTJZSA-N 2 1 316.489 3.025 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037278 622766992 /nfs/dbraw/zinc/76/69/92/622766992.db2.gz AGOALMZXCRQJGF-LZQZEXGQSA-N 2 1 322.468 3.234 20 0 DGADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037278 622766997 /nfs/dbraw/zinc/76/69/97/622766997.db2.gz AGOALMZXCRQJGF-LZQZEXGQSA-N 2 1 322.468 3.234 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872051995 622777418 /nfs/dbraw/zinc/77/74/18/622777418.db2.gz MAJFUAHONSGTLC-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131689 622825249 /nfs/dbraw/zinc/82/52/49/622825249.db2.gz ZORUDXARJQPXOD-YUTCNCBUSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131689 622825251 /nfs/dbraw/zinc/82/52/51/622825251.db2.gz ZORUDXARJQPXOD-YUTCNCBUSA-N 2 1 313.367 3.378 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1C(F)(F)F ZINC000872148580 622833279 /nfs/dbraw/zinc/83/32/79/622833279.db2.gz KHFZXBQKXPXEFF-HOTGVXAUSA-N 2 1 308.347 3.409 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1C(F)(F)F ZINC000872148580 622833282 /nfs/dbraw/zinc/83/32/82/622833282.db2.gz KHFZXBQKXPXEFF-HOTGVXAUSA-N 2 1 308.347 3.409 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872147082 622833465 /nfs/dbraw/zinc/83/34/65/622833465.db2.gz CWQVTGCTRLHRRE-HOCLYGCPSA-N 2 1 308.347 3.409 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)C[C@H]1C(F)(F)F ZINC000872151312 622834387 /nfs/dbraw/zinc/83/43/87/622834387.db2.gz VBBDCLARSKIRCR-IAGOWNOFSA-N 2 1 322.374 3.451 20 0 DGADMP COc1ccc(-c2nc(C[N@@H+](C)CCCCCC[NH3+])co2)cc1 ZINC000872155234 622834828 /nfs/dbraw/zinc/83/48/28/622834828.db2.gz OVSMTDKXJCYIFE-UHFFFAOYSA-N 2 1 317.433 3.301 20 0 DGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872154930 622834975 /nfs/dbraw/zinc/83/49/75/622834975.db2.gz FLSNSDFSULTMDF-MRXNPFEDSA-N 2 1 305.466 3.081 20 0 DGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872155224 622835121 /nfs/dbraw/zinc/83/51/21/622835121.db2.gz OIURVADNFKMWLL-ZDUSSCGKSA-N 2 1 311.857 3.118 20 0 DGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872154929 622835746 /nfs/dbraw/zinc/83/57/46/622835746.db2.gz FLSNSDFSULTMDF-INIZCTEOSA-N 2 1 305.466 3.081 20 0 DGADMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155242 622836009 /nfs/dbraw/zinc/83/60/09/622836009.db2.gz PAPDIVPJSJUUJJ-IAGOWNOFSA-N 2 1 319.493 3.012 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1cccc2ccccc21 ZINC000872155264 622836438 /nfs/dbraw/zinc/83/64/38/622836438.db2.gz PORYMRIGRIDOQD-UHFFFAOYSA-N 2 1 313.445 3.229 20 0 DGADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155490 622837070 /nfs/dbraw/zinc/83/70/70/622837070.db2.gz UQHLMMPVFGNICP-LBPRGKRZSA-N 2 1 308.451 3.310 20 0 DGADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155443 622837272 /nfs/dbraw/zinc/83/72/72/622837272.db2.gz RWQCALNXXGLQLK-UHFFFAOYSA-N 2 1 311.857 3.038 20 0 DGADMP CC(C)c1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157734 622839312 /nfs/dbraw/zinc/83/93/12/622839312.db2.gz QGFPBMSAVPMRTP-HOCLYGCPSA-N 2 1 320.481 3.313 20 0 DGADMP CC(C)c1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872157734 622839316 /nfs/dbraw/zinc/83/93/16/622839316.db2.gz QGFPBMSAVPMRTP-HOCLYGCPSA-N 2 1 320.481 3.313 20 0 DGADMP COc1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873200917 623073502 /nfs/dbraw/zinc/07/35/02/623073502.db2.gz NQIISYKMFCBHEA-UHFFFAOYSA-N 2 1 302.443 3.034 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000873221119 623078729 /nfs/dbraw/zinc/07/87/29/623078729.db2.gz LPNWDGXQFLJAPN-QGZVFWFLSA-N 3 1 317.521 3.122 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000873221119 623078734 /nfs/dbraw/zinc/07/87/34/623078734.db2.gz LPNWDGXQFLJAPN-QGZVFWFLSA-N 2 1 317.521 3.122 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000873223139 623080115 /nfs/dbraw/zinc/08/01/15/623080115.db2.gz IFSMTBFJCGMRAX-LJQANCHMSA-N 2 1 312.461 3.274 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000873223139 623080122 /nfs/dbraw/zinc/08/01/22/623080122.db2.gz IFSMTBFJCGMRAX-LJQANCHMSA-N 2 1 312.461 3.274 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000873223784 623081962 /nfs/dbraw/zinc/08/19/62/623081962.db2.gz SEROMUNVCDJKAO-PBHICJAKSA-N 2 1 323.506 3.192 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000873223784 623081967 /nfs/dbraw/zinc/08/19/67/623081967.db2.gz SEROMUNVCDJKAO-PBHICJAKSA-N 2 1 323.506 3.192 20 0 DGADMP CCn1nccc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232254 623084627 /nfs/dbraw/zinc/08/46/27/623084627.db2.gz NTMQUQYSWOZOTE-MAUKXSAKSA-N 2 1 304.482 3.023 20 0 DGADMP CCn1ccnc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231957 623085257 /nfs/dbraw/zinc/08/52/57/623085257.db2.gz HIEQPUDIAWWZKL-NVXWUHKLSA-N 2 1 304.482 3.023 20 0 DGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000774212121 623120637 /nfs/dbraw/zinc/12/06/37/623120637.db2.gz YSDVZPYACYFHCE-HQSKLWIPSA-N 2 1 321.896 3.158 20 0 DGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000774212121 623120642 /nfs/dbraw/zinc/12/06/42/623120642.db2.gz YSDVZPYACYFHCE-HQSKLWIPSA-N 2 1 321.896 3.158 20 0 DGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000774212121 623120646 /nfs/dbraw/zinc/12/06/46/623120646.db2.gz YSDVZPYACYFHCE-HQSKLWIPSA-N 2 1 321.896 3.158 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCOC2CCC2)C3)cc1 ZINC000774300550 623128992 /nfs/dbraw/zinc/12/89/92/623128992.db2.gz MKJCFBXZASAGML-LDLYASANSA-N 2 1 314.473 3.341 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000774408988 623141155 /nfs/dbraw/zinc/14/11/55/623141155.db2.gz LAQWQTAKCGWHRJ-HSALFYBXSA-N 2 1 316.489 3.399 20 0 DGADMP CCc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000774408988 623141158 /nfs/dbraw/zinc/14/11/58/623141158.db2.gz LAQWQTAKCGWHRJ-HSALFYBXSA-N 2 1 316.489 3.399 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000775305794 623251655 /nfs/dbraw/zinc/25/16/55/623251655.db2.gz RPTGCHNHXBTYTJ-YTQUADARSA-N 2 1 306.494 3.212 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775365561 623260180 /nfs/dbraw/zinc/26/01/80/623260180.db2.gz ONCABRNMMWRVMV-WCVJEAGWSA-N 2 1 314.564 3.220 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000777013750 623485639 /nfs/dbraw/zinc/48/56/39/623485639.db2.gz WXZHHCIFFOXGSW-BPLDGKMQSA-N 2 1 322.415 3.196 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000876899736 623740453 /nfs/dbraw/zinc/74/04/53/623740453.db2.gz PTJUYTIPIMKOIJ-VLIAUNLRSA-N 2 1 304.415 3.173 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCOCc1ccccc1 ZINC000876915958 623743973 /nfs/dbraw/zinc/74/39/73/623743973.db2.gz GDAQWMQAUPQOSW-DLBZAZTESA-N 2 1 315.461 3.413 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000876916296 623744094 /nfs/dbraw/zinc/74/40/94/623744094.db2.gz QNOWHPAUVNUBKI-RXSFTSLZSA-N 2 1 315.398 3.140 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000877015471 623766500 /nfs/dbraw/zinc/76/65/00/623766500.db2.gz QVAQLZXILLOJKS-VLIAUNLRSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000877015471 623766511 /nfs/dbraw/zinc/76/65/11/623766511.db2.gz QVAQLZXILLOJKS-VLIAUNLRSA-N 2 1 304.415 3.173 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780293324 623906392 /nfs/dbraw/zinc/90/63/92/623906392.db2.gz SDMDMONMBWMNIX-RTBURBONSA-N 2 1 316.489 3.149 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000877577812 623950451 /nfs/dbraw/zinc/95/04/51/623950451.db2.gz KBJLJFDLHNEGQG-UHFFFAOYSA-N 2 1 307.825 3.445 20 0 DGADMP COCC[N@@H+](C[C@H](C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000877664101 623982603 /nfs/dbraw/zinc/98/26/03/623982603.db2.gz HFPFMKCGWBEDPS-KRWDZBQOSA-N 2 1 304.478 3.080 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000877684176 623991063 /nfs/dbraw/zinc/99/10/63/623991063.db2.gz KAYMXEGJSXJXKV-UHFFFAOYSA-N 2 1 324.472 3.385 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739549 624012286 /nfs/dbraw/zinc/01/22/86/624012286.db2.gz HFAHRVWXBCBUFU-HKUYNNGSSA-N 2 1 300.446 3.001 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739549 624012290 /nfs/dbraw/zinc/01/22/90/624012290.db2.gz HFAHRVWXBCBUFU-HKUYNNGSSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739549 624012294 /nfs/dbraw/zinc/01/22/94/624012294.db2.gz HFAHRVWXBCBUFU-HKUYNNGSSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739549 624012297 /nfs/dbraw/zinc/01/22/97/624012297.db2.gz HFAHRVWXBCBUFU-HKUYNNGSSA-N 2 1 300.446 3.001 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744090 624016454 /nfs/dbraw/zinc/01/64/54/624016454.db2.gz ZRULOZJHUVDUAZ-IEBWSBKVSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc2ccccc21 ZINC000877744090 624016456 /nfs/dbraw/zinc/01/64/56/624016456.db2.gz ZRULOZJHUVDUAZ-IEBWSBKVSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc2ccccc21 ZINC000877744090 624016461 /nfs/dbraw/zinc/01/64/61/624016461.db2.gz ZRULOZJHUVDUAZ-IEBWSBKVSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc2ccccc21 ZINC000877744090 624016467 /nfs/dbraw/zinc/01/64/67/624016467.db2.gz ZRULOZJHUVDUAZ-IEBWSBKVSA-N 2 1 310.441 3.374 20 0 DGADMP CC(C)C[N@H+](Cc1nccn1C(F)F)CC1CC[NH+](C)CC1 ZINC000877767442 624028843 /nfs/dbraw/zinc/02/88/43/624028843.db2.gz JLWFBWCBSCMYGJ-UHFFFAOYSA-N 2 1 314.424 3.078 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877778215 624033804 /nfs/dbraw/zinc/03/38/04/624033804.db2.gz KDWOSCVVHHBMKU-ZNWBIBPKSA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877778215 624033806 /nfs/dbraw/zinc/03/38/06/624033806.db2.gz KDWOSCVVHHBMKU-ZNWBIBPKSA-N 2 1 316.489 3.494 20 0 DGADMP COc1cc(C)[nH+]c(CN2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000877794119 624036347 /nfs/dbraw/zinc/03/63/47/624036347.db2.gz HEVNWPRWOUTUDW-UHFFFAOYSA-N 2 1 317.477 3.239 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000877967761 624115197 /nfs/dbraw/zinc/11/51/97/624115197.db2.gz DOXMJPKSVAQACQ-UHFFFAOYSA-N 2 1 301.887 3.350 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)CCC2 ZINC000782183996 624216356 /nfs/dbraw/zinc/21/63/56/624216356.db2.gz PMEDZVPXFZLWDM-OAHLLOKOSA-N 2 1 307.507 3.357 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000878286719 624235733 /nfs/dbraw/zinc/23/57/33/624235733.db2.gz RVKCPMXVVLMOLB-JQHSSLGASA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)O1 ZINC000878286719 624235735 /nfs/dbraw/zinc/23/57/35/624235735.db2.gz RVKCPMXVVLMOLB-JQHSSLGASA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)O1 ZINC000878286719 624235737 /nfs/dbraw/zinc/23/57/37/624235737.db2.gz RVKCPMXVVLMOLB-JQHSSLGASA-N 2 1 306.494 3.283 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)CC(C)(C)C ZINC000878324859 624245428 /nfs/dbraw/zinc/24/54/28/624245428.db2.gz PJHVSQUTYXKYSB-BZSNNMDCSA-N 2 1 309.542 3.017 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC000878448363 624280724 /nfs/dbraw/zinc/28/07/24/624280724.db2.gz XVQOXALZGLYJOA-WMZOPIPTSA-N 2 1 308.510 3.293 20 0 DGADMP c1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)cc1 ZINC000782759536 624280893 /nfs/dbraw/zinc/28/08/93/624280893.db2.gz ZWLOPFKUXDNLCI-OXQOHEQNSA-N 2 1 314.473 3.228 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782761507 624281102 /nfs/dbraw/zinc/28/11/02/624281102.db2.gz ZXLRYQLVEUKMCO-QFBILLFUSA-N 2 1 302.462 3.086 20 0 DGADMP c1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)cc1 ZINC000782759537 624281165 /nfs/dbraw/zinc/28/11/65/624281165.db2.gz ZWLOPFKUXDNLCI-UZLBHIALSA-N 2 1 314.473 3.228 20 0 DGADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000782952543 624293847 /nfs/dbraw/zinc/29/38/47/624293847.db2.gz KKDRSUHPMCMBIQ-UHFFFAOYSA-N 2 1 318.461 3.023 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878513204 624294942 /nfs/dbraw/zinc/29/49/42/624294942.db2.gz XQTLNKGKYBTFNH-QRVBRYPASA-N 2 1 302.462 3.323 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000878574780 624312663 /nfs/dbraw/zinc/31/26/63/624312663.db2.gz WWOVDPLBLWQQFU-YESZJQIVSA-N 2 1 322.518 3.235 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000878574780 624312665 /nfs/dbraw/zinc/31/26/65/624312665.db2.gz WWOVDPLBLWQQFU-YESZJQIVSA-N 2 1 322.518 3.235 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000878574780 624312666 /nfs/dbraw/zinc/31/26/66/624312666.db2.gz WWOVDPLBLWQQFU-YESZJQIVSA-N 2 1 322.518 3.235 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878646339 624329358 /nfs/dbraw/zinc/32/93/58/624329358.db2.gz ZPVSVBFKMOICEM-UFYCRDLUSA-N 2 1 314.473 3.324 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652229 624331845 /nfs/dbraw/zinc/33/18/45/624331845.db2.gz NHOXIVJFLTWRPY-AABGKKOBSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652229 624331846 /nfs/dbraw/zinc/33/18/46/624331846.db2.gz NHOXIVJFLTWRPY-AABGKKOBSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652229 624331847 /nfs/dbraw/zinc/33/18/47/624331847.db2.gz NHOXIVJFLTWRPY-AABGKKOBSA-N 2 1 314.473 3.324 20 0 DGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878747391 624352981 /nfs/dbraw/zinc/35/29/81/624352981.db2.gz LHKXYEVNZATQFR-CYBMUJFWSA-N 2 1 314.260 3.178 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000783493126 624358459 /nfs/dbraw/zinc/35/84/59/624358459.db2.gz QTFGIWRDZUXEBN-AEFFLSMTSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000783493126 624358463 /nfs/dbraw/zinc/35/84/63/624358463.db2.gz QTFGIWRDZUXEBN-AEFFLSMTSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000783493126 624358467 /nfs/dbraw/zinc/35/84/67/624358467.db2.gz QTFGIWRDZUXEBN-AEFFLSMTSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000783493126 624358470 /nfs/dbraw/zinc/35/84/70/624358470.db2.gz QTFGIWRDZUXEBN-AEFFLSMTSA-N 2 1 320.477 3.364 20 0 DGADMP COCC[N@H+](Cc1cccc(SC)c1)CC1CC[NH+](C)CC1 ZINC000879126929 624433478 /nfs/dbraw/zinc/43/34/78/624433478.db2.gz OOSAZOYPXUZINT-UHFFFAOYSA-N 2 1 322.518 3.199 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000879202551 624450307 /nfs/dbraw/zinc/45/03/07/624450307.db2.gz JCICQYTVPKLUKM-SFHVURJKSA-N 2 1 302.462 3.060 20 0 DGADMP CO[C@@H](C)c1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cs1 ZINC000879247626 624464040 /nfs/dbraw/zinc/46/40/40/624464040.db2.gz FKIFEWNMEHSKRY-AWEZNQCLSA-N 2 1 323.506 3.158 20 0 DGADMP Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000784381661 624515213 /nfs/dbraw/zinc/51/52/13/624515213.db2.gz UQPIUEGXDZZMSK-QUCCMNQESA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000784381661 624515217 /nfs/dbraw/zinc/51/52/17/624515217.db2.gz UQPIUEGXDZZMSK-QUCCMNQESA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000784381661 624515218 /nfs/dbraw/zinc/51/52/18/624515218.db2.gz UQPIUEGXDZZMSK-QUCCMNQESA-N 2 1 315.505 3.380 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879951790 624730472 /nfs/dbraw/zinc/73/04/72/624730472.db2.gz REHFAGOWIRQVAX-KDURUIRLSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)[nH+]c2c1 ZINC000785802024 624735342 /nfs/dbraw/zinc/73/53/42/624735342.db2.gz UTRRPHCJOYBIHU-CVEARBPZSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1ccc2c(C)cc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)[nH+]c2c1 ZINC000785802024 624735344 /nfs/dbraw/zinc/73/53/44/624735344.db2.gz UTRRPHCJOYBIHU-CVEARBPZSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099816 624786380 /nfs/dbraw/zinc/78/63/80/624786380.db2.gz WOOKGSRMKGETIH-LLVKDONJSA-N 2 1 312.339 3.346 20 0 DGADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)c1cccc2ccccc21 ZINC000880142447 624807006 /nfs/dbraw/zinc/80/70/06/624807006.db2.gz OLIRHQKIWVGUDG-AQNXPRMDSA-N 2 1 310.441 3.042 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000787305646 624999431 /nfs/dbraw/zinc/99/94/31/624999431.db2.gz UAMLSMLNVARMPM-LPHOPBHVSA-N 2 1 322.468 3.383 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000788609110 625227717 /nfs/dbraw/zinc/22/77/17/625227717.db2.gz IMLOAPSXPKBMSD-HOTGVXAUSA-N 2 1 313.445 3.348 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882891937 625848717 /nfs/dbraw/zinc/84/87/17/625848717.db2.gz IUTAOSWKFSWVSP-KRWDZBQOSA-N 2 1 316.489 3.361 20 0 DGADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882949448 625870796 /nfs/dbraw/zinc/87/07/96/625870796.db2.gz QNFVOXFJHFHZBR-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882949448 625870806 /nfs/dbraw/zinc/87/08/06/625870806.db2.gz QNFVOXFJHFHZBR-SFHVURJKSA-N 2 1 315.461 3.095 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+]1C ZINC000883192980 625964344 /nfs/dbraw/zinc/96/43/44/625964344.db2.gz LTQUZYHLXURSPO-NIKGAXFTSA-N 2 1 320.452 3.366 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+]1C ZINC000883192980 625964349 /nfs/dbraw/zinc/96/43/49/625964349.db2.gz LTQUZYHLXURSPO-NIKGAXFTSA-N 2 1 320.452 3.366 20 0 DGADMP Cc1ccccc1[C@H](O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000796419714 626048588 /nfs/dbraw/zinc/04/85/88/626048588.db2.gz TXTFSBIKBVJVNQ-AZUAARDMSA-N 2 1 316.489 3.225 20 0 DGADMP c1[nH]nc2c1[C@@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000796721951 626076398 /nfs/dbraw/zinc/07/63/98/626076398.db2.gz CUUGMQNWVWDXPN-SFHVURJKSA-N 2 1 316.493 3.421 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000798934572 626261450 /nfs/dbraw/zinc/26/14/50/626261450.db2.gz DFBXFINGEZSYHC-IHPCNDPISA-N 2 1 316.489 3.303 20 0 DGADMP C([NH2+][C@H]1CCCC2(CC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000883202592 626607086 /nfs/dbraw/zinc/60/70/86/626607086.db2.gz GIFKQESAYXPFSO-KRWDZBQOSA-N 2 1 306.494 3.334 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H](C)C1 ZINC000883258723 626626870 /nfs/dbraw/zinc/62/68/70/626626870.db2.gz MWYRMKHOOJZAJF-GJZGRUSLSA-N 2 1 320.468 3.394 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883427687 626679936 /nfs/dbraw/zinc/67/99/36/626679936.db2.gz ZICVAIRRGGCMHO-BVBHFADKSA-N 2 1 302.462 3.356 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883426849 626680091 /nfs/dbraw/zinc/68/00/91/626680091.db2.gz BJAXAGOSZDTQRN-WDSOQIARSA-N 2 1 302.462 3.358 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883427688 626680262 /nfs/dbraw/zinc/68/02/62/626680262.db2.gz ZICVAIRRGGCMHO-LULLPPNCSA-N 2 1 302.462 3.356 20 0 DGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H]1CC[NH3+] ZINC000883435133 626681522 /nfs/dbraw/zinc/68/15/22/626681522.db2.gz LGHAHOGBDZTGNU-LULLPPNCSA-N 2 1 302.462 3.356 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000883437625 626682060 /nfs/dbraw/zinc/68/20/60/626682060.db2.gz WZFGFLVGMOXMDF-JHJVBQTASA-N 2 1 322.415 3.039 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437311 626682207 /nfs/dbraw/zinc/68/22/07/626682207.db2.gz OHVVUOAXCDFYBO-YRXWBPOGSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000883437311 626682209 /nfs/dbraw/zinc/68/22/09/626682209.db2.gz OHVVUOAXCDFYBO-YRXWBPOGSA-N 2 1 300.446 3.110 20 0 DGADMP c1ccc([C@H]2CC[C@H](C[N@@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459858 626686452 /nfs/dbraw/zinc/68/64/52/626686452.db2.gz JAXKJOLTTIBJPD-QZTJIDSGSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@H]2CC[C@H](C[N@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459858 626686455 /nfs/dbraw/zinc/68/64/55/626686455.db2.gz JAXKJOLTTIBJPD-QZTJIDSGSA-N 2 1 300.446 3.125 20 0 DGADMP CC(C)C(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000808717340 626853236 /nfs/dbraw/zinc/85/32/36/626853236.db2.gz CIEOYHOPIJZMNK-UHFFFAOYSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134929963 626893234 /nfs/dbraw/zinc/89/32/34/626893234.db2.gz RLSKEWWPRBESEY-MJGOQNOKSA-N 2 1 314.473 3.323 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(Cl)n1 ZINC000809755194 626947570 /nfs/dbraw/zinc/94/75/70/626947570.db2.gz HVELJHKTHCOMKW-MRXNPFEDSA-N 2 1 307.869 3.207 20 0 DGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000810144742 626980750 /nfs/dbraw/zinc/98/07/50/626980750.db2.gz GMYPAEQTVSLEMY-WDYCEAGBSA-N 2 1 306.494 3.212 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000885929186 627062370 /nfs/dbraw/zinc/06/23/70/627062370.db2.gz MBBHCIWOLHOITB-IAGOWNOFSA-N 2 1 314.433 3.013 20 0 DGADMP Fc1cccc(/C=C\C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000885983452 627076305 /nfs/dbraw/zinc/07/63/05/627076305.db2.gz HCBFDFAMPKKFAK-LVXZVAJSSA-N 2 1 318.436 3.072 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000886033515 627089477 /nfs/dbraw/zinc/08/94/77/627089477.db2.gz VWRKJSFRFOTCNQ-MJGOQNOKSA-N 2 1 304.478 3.113 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000886033515 627089480 /nfs/dbraw/zinc/08/94/80/627089480.db2.gz VWRKJSFRFOTCNQ-MJGOQNOKSA-N 2 1 304.478 3.113 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000886044442 627092541 /nfs/dbraw/zinc/09/25/41/627092541.db2.gz WSXOBJKQXAQZGV-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000886044442 627092545 /nfs/dbraw/zinc/09/25/45/627092545.db2.gz WSXOBJKQXAQZGV-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000886044442 627092548 /nfs/dbraw/zinc/09/25/48/627092548.db2.gz WSXOBJKQXAQZGV-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)C(F)F)CC1)CC(C)C ZINC000886105327 627106150 /nfs/dbraw/zinc/10/61/50/627106150.db2.gz XPCXREWKYNENHG-QGZVFWFLSA-N 2 1 320.468 3.083 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886305741 627134015 /nfs/dbraw/zinc/13/40/15/627134015.db2.gz PJMDPNZEZOGKMS-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000886493242 627152711 /nfs/dbraw/zinc/15/27/11/627152711.db2.gz BLDFEBHUQUGHPD-IBGZPJMESA-N 2 1 314.477 3.229 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886493657 627152724 /nfs/dbraw/zinc/15/27/24/627152724.db2.gz UWYPSJSZOPGDOC-QGZVFWFLSA-N 2 1 301.409 3.368 20 0 DGADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886612239 627173120 /nfs/dbraw/zinc/17/31/20/627173120.db2.gz GVBNCIMUFPGKMC-QDSNELGPSA-N 2 1 302.462 3.053 20 0 DGADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886612240 627173339 /nfs/dbraw/zinc/17/33/39/627173339.db2.gz GVBNCIMUFPGKMC-UYKLPWQDSA-N 2 1 302.462 3.053 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCC4(CCC4)O3)CC2)[nH+]c1C ZINC000886659084 627182416 /nfs/dbraw/zinc/18/24/16/627182416.db2.gz CCYWYWNLMWNFES-MRXNPFEDSA-N 2 1 303.450 3.308 20 0 DGADMP CCc1noc(C)c1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664547 627183701 /nfs/dbraw/zinc/18/37/01/627183701.db2.gz PNBHUUBAJKFPSB-UHFFFAOYSA-N 2 1 302.422 3.265 20 0 DGADMP COc1ccc(CC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886670781 627185728 /nfs/dbraw/zinc/18/57/28/627185728.db2.gz WBCJSLJCXDTWMA-UHFFFAOYSA-N 2 1 313.445 3.457 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000886694069 627192858 /nfs/dbraw/zinc/19/28/58/627192858.db2.gz NNNXJWYDRYGVFG-INIZCTEOSA-N 2 1 318.490 3.301 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000886694069 627192861 /nfs/dbraw/zinc/19/28/61/627192861.db2.gz NNNXJWYDRYGVFG-INIZCTEOSA-N 2 1 318.490 3.301 20 0 DGADMP Cc1csc(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000886694249 627192911 /nfs/dbraw/zinc/19/29/11/627192911.db2.gz RUDRFVBUHAXQBY-JKSUJKDBSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000886694249 627192915 /nfs/dbraw/zinc/19/29/15/627192915.db2.gz RUDRFVBUHAXQBY-JKSUJKDBSA-N 2 1 307.507 3.190 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000886694249 627192918 /nfs/dbraw/zinc/19/29/18/627192918.db2.gz RUDRFVBUHAXQBY-JKSUJKDBSA-N 2 1 307.507 3.190 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000886694010 627192998 /nfs/dbraw/zinc/19/29/98/627192998.db2.gz MLQSEGNXORHQBP-KZYORJDKSA-N 2 1 308.510 3.005 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](Cc2ccccc2)OC)CC1 ZINC000886718111 627197515 /nfs/dbraw/zinc/19/75/15/627197515.db2.gz QPNUVYZVHCVNKV-LJQANCHMSA-N 2 1 316.489 3.194 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Br)c3ccccc3c2)C1 ZINC000886828167 627209567 /nfs/dbraw/zinc/20/95/67/627209567.db2.gz YQJVHOVRZQYYQV-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Br)c3ccccc3c2)C1 ZINC000886828167 627209570 /nfs/dbraw/zinc/20/95/70/627209570.db2.gz YQJVHOVRZQYYQV-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886869843 627211759 /nfs/dbraw/zinc/21/17/59/627211759.db2.gz JQDSQPOFFNJVQF-QGZVFWFLSA-N 2 1 310.388 3.254 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886874746 627212179 /nfs/dbraw/zinc/21/21/79/627212179.db2.gz VVDOXSLIYHZWNH-LJQANCHMSA-N 2 1 302.462 3.059 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874512 627212208 /nfs/dbraw/zinc/21/22/08/627212208.db2.gz PLUWLMYERHDDOE-IBGZPJMESA-N 2 1 301.478 3.479 20 0 DGADMP COC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813789838 627512216 /nfs/dbraw/zinc/51/22/16/627512216.db2.gz FKWMTGKMUFQFAC-BPIHKTFHSA-N 2 1 302.462 3.197 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815058910 627620640 /nfs/dbraw/zinc/62/06/40/627620640.db2.gz YOMZRVFXGRDSDK-UZLBHIALSA-N 2 1 312.457 3.147 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815058910 627620643 /nfs/dbraw/zinc/62/06/43/627620643.db2.gz YOMZRVFXGRDSDK-UZLBHIALSA-N 2 1 312.457 3.147 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815058910 627620644 /nfs/dbraw/zinc/62/06/44/627620644.db2.gz YOMZRVFXGRDSDK-UZLBHIALSA-N 2 1 312.457 3.147 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815074377 627623000 /nfs/dbraw/zinc/62/30/00/627623000.db2.gz QPJHDVMLQLYDCA-FQEVSTJZSA-N 2 1 323.440 3.400 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815074377 627623004 /nfs/dbraw/zinc/62/30/04/627623004.db2.gz QPJHDVMLQLYDCA-FQEVSTJZSA-N 2 1 323.440 3.400 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000924554425 627649000 /nfs/dbraw/zinc/64/90/00/627649000.db2.gz QRZZDVYYLNLLKW-UHFFFAOYSA-N 2 1 318.461 3.058 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)Cc1ccccc1 ZINC000924579899 627651753 /nfs/dbraw/zinc/65/17/53/627651753.db2.gz NEUSZXZGZDNXNF-PMACEKPBSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)Cc1ccccc1 ZINC000924580537 627651756 /nfs/dbraw/zinc/65/17/56/627651756.db2.gz VHVPUEGYAWLDEI-PMACEKPBSA-N 2 1 316.489 3.303 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924598761 627654755 /nfs/dbraw/zinc/65/47/55/627654755.db2.gz FYOPIGYWMCZTIV-HKUYNNGSSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924603186 627655632 /nfs/dbraw/zinc/65/56/32/627655632.db2.gz QBURHZIAYFBBNW-WOJBJXKFSA-N 2 1 316.489 3.086 20 0 DGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924603186 627655635 /nfs/dbraw/zinc/65/56/35/627655635.db2.gz QBURHZIAYFBBNW-WOJBJXKFSA-N 2 1 316.489 3.086 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C(C(C)C)C(C)C)CC1 ZINC000924658128 627664141 /nfs/dbraw/zinc/66/41/41/627664141.db2.gz GHMAYRUFPPZKCK-GOSISDBHSA-N 2 1 311.558 3.310 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000924684344 627667397 /nfs/dbraw/zinc/66/73/97/627667397.db2.gz DZRMMGRLDHCXGV-GUDVDZBRSA-N 2 1 307.526 3.105 20 0 DGADMP OC1CC[NH+](CCC[NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000924755814 627676743 /nfs/dbraw/zinc/67/67/43/627676743.db2.gz MZMGDBGUTQNAJW-UHFFFAOYSA-N 2 1 308.510 3.172 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924750227 627676767 /nfs/dbraw/zinc/67/67/67/627676767.db2.gz DJUSBXHSLVOEJW-KBAYOESNSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924750227 627676769 /nfs/dbraw/zinc/67/67/69/627676769.db2.gz DJUSBXHSLVOEJW-KBAYOESNSA-N 2 1 308.510 3.292 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2C)CC1 ZINC000815559035 627684676 /nfs/dbraw/zinc/68/46/76/627684676.db2.gz VNHJNLBIQAAGOP-KRWDZBQOSA-N 2 1 321.484 3.202 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873424 627689239 /nfs/dbraw/zinc/68/92/39/627689239.db2.gz LDKCDGSFRCSATL-LSDHHAIUSA-N 2 1 316.474 3.101 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873424 627689241 /nfs/dbraw/zinc/68/92/41/627689241.db2.gz LDKCDGSFRCSATL-LSDHHAIUSA-N 2 1 316.474 3.101 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924936511 627694662 /nfs/dbraw/zinc/69/46/62/627694662.db2.gz DPTIKCVAOYMWJS-UYAOXDASSA-N 2 1 323.484 3.167 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924952133 627696404 /nfs/dbraw/zinc/69/64/04/627696404.db2.gz NATBDJYSCWSDCJ-CABCVRRESA-N 2 1 315.465 3.175 20 0 DGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccn1 ZINC000924948704 627696545 /nfs/dbraw/zinc/69/65/45/627696545.db2.gz WRYNJOFPLHBKEP-PHSGOXPASA-N 2 1 317.477 3.154 20 0 DGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccn1 ZINC000924948704 627696547 /nfs/dbraw/zinc/69/65/47/627696547.db2.gz WRYNJOFPLHBKEP-PHSGOXPASA-N 2 1 317.477 3.154 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000924958235 627697891 /nfs/dbraw/zinc/69/78/91/627697891.db2.gz DLPMZVXLWZRQDB-SFHVURJKSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000924958235 627697894 /nfs/dbraw/zinc/69/78/94/627697894.db2.gz DLPMZVXLWZRQDB-SFHVURJKSA-N 3 1 309.542 3.207 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000924958235 627697899 /nfs/dbraw/zinc/69/78/99/627697899.db2.gz DLPMZVXLWZRQDB-SFHVURJKSA-N 3 1 309.542 3.207 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000924958378 627698166 /nfs/dbraw/zinc/69/81/66/627698166.db2.gz JQWADRPPAHKJOH-WOJBJXKFSA-N 2 1 316.489 3.433 20 0 DGADMP Cc1ccc([C@H](NC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011450 627701092 /nfs/dbraw/zinc/70/10/92/627701092.db2.gz QGXGHWCLAYFQLA-PXNSSMCTSA-N 2 1 309.457 3.411 20 0 DGADMP Cc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011446 627701199 /nfs/dbraw/zinc/70/11/99/627701199.db2.gz QGXGHWCLAYFQLA-FXAWDEMLSA-N 2 1 309.457 3.411 20 0 DGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(OC)n1 ZINC000925134087 627711607 /nfs/dbraw/zinc/71/16/07/627711607.db2.gz PEEJCUXKFWMEHA-HNNXBMFYSA-N 2 1 302.422 3.116 20 0 DGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925281617 627727627 /nfs/dbraw/zinc/72/76/27/627727627.db2.gz ZDJUBPVKAWLENX-YZLZLFLDSA-N 2 1 324.472 3.284 20 0 DGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnnc1 ZINC000925281617 627727630 /nfs/dbraw/zinc/72/76/30/627727630.db2.gz ZDJUBPVKAWLENX-YZLZLFLDSA-N 2 1 324.472 3.284 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925497844 627742367 /nfs/dbraw/zinc/74/23/67/627742367.db2.gz ZICHCAAMIAWPKV-OXJNMPFZSA-N 2 1 311.473 3.316 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925540323 627750502 /nfs/dbraw/zinc/75/05/02/627750502.db2.gz OOMILPFMSWDLME-WMLDXEAASA-N 2 1 305.466 3.057 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000925587715 627759334 /nfs/dbraw/zinc/75/93/34/627759334.db2.gz JDBMLNQGQOZOGM-NZSAHSFTSA-N 2 1 308.510 3.149 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925605791 627761529 /nfs/dbraw/zinc/76/15/29/627761529.db2.gz SQBOHFINYNDPAY-RYQLBKOJSA-N 2 1 318.436 3.407 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925607212 627762274 /nfs/dbraw/zinc/76/22/74/627762274.db2.gz ARUGZWOCKICJCQ-MSOLQXFVSA-N 2 1 317.477 3.128 20 0 DGADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925615799 627762919 /nfs/dbraw/zinc/76/29/19/627762919.db2.gz ICPKLISDOSBXMX-ZWKOTPCHSA-N 2 1 317.477 3.128 20 0 DGADMP CCCOc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925615798 627762987 /nfs/dbraw/zinc/76/29/87/627762987.db2.gz ICPKLISDOSBXMX-ROUUACIJSA-N 2 1 317.477 3.128 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925618461 627763814 /nfs/dbraw/zinc/76/38/14/627763814.db2.gz WEHMWBACUIUJGH-BZUAXINKSA-N 2 1 307.482 3.158 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CCCN[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623913 627764530 /nfs/dbraw/zinc/76/45/30/627764530.db2.gz VUNWFUFLUBQCQX-ZULIPRJHSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000925623913 627764532 /nfs/dbraw/zinc/76/45/32/627764532.db2.gz VUNWFUFLUBQCQX-ZULIPRJHSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000925623913 627764535 /nfs/dbraw/zinc/76/45/35/627764535.db2.gz VUNWFUFLUBQCQX-ZULIPRJHSA-N 3 1 315.505 3.017 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925641329 627768362 /nfs/dbraw/zinc/76/83/62/627768362.db2.gz XLUWLBCXJWMYRV-OWCLPIDISA-N 2 1 304.482 3.337 20 0 DGADMP COc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647080 627769974 /nfs/dbraw/zinc/76/99/74/627769974.db2.gz XRSSYRHUHWESOQ-DLBZAZTESA-N 2 1 306.425 3.092 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925684465 627776222 /nfs/dbraw/zinc/77/62/22/627776222.db2.gz AKZYCQFAJOJSCJ-BQFCYCMXSA-N 2 1 300.446 3.206 20 0 DGADMP [NH3+]CCC[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707691 627778757 /nfs/dbraw/zinc/77/87/57/627778757.db2.gz QMBMNHDSCVQLHA-ICSRJNTNSA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCC[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000925707691 627778760 /nfs/dbraw/zinc/77/87/60/627778760.db2.gz QMBMNHDSCVQLHA-ICSRJNTNSA-N 2 1 315.505 3.463 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccn2)cc1 ZINC000925708627 627779806 /nfs/dbraw/zinc/77/98/06/627779806.db2.gz MTXGSAGPYQHSEX-HXUWFJFHSA-N 2 1 307.441 3.331 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccn2)cc1 ZINC000925708627 627779809 /nfs/dbraw/zinc/77/98/09/627779809.db2.gz MTXGSAGPYQHSEX-HXUWFJFHSA-N 2 1 307.441 3.331 20 0 DGADMP CC1(C)[NH2+]CC[C@@H]1NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000925723660 627781851 /nfs/dbraw/zinc/78/18/51/627781851.db2.gz XEEZRMUISSNCFN-IBGZPJMESA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000925736547 627785339 /nfs/dbraw/zinc/78/53/39/627785339.db2.gz BGWMUCKCVJOANO-OTWHNJEPSA-N 2 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000925736547 627785340 /nfs/dbraw/zinc/78/53/40/627785340.db2.gz BGWMUCKCVJOANO-OTWHNJEPSA-N 3 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000925736547 627785343 /nfs/dbraw/zinc/78/53/43/627785343.db2.gz BGWMUCKCVJOANO-OTWHNJEPSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H](C1CCC(F)(F)CC1)N1CCc2sc(CN)nc2C1 ZINC000925750797 627787159 /nfs/dbraw/zinc/78/71/59/627787159.db2.gz HPCGOZYOYLXNRC-JTQLQIEISA-N 2 1 315.433 3.174 20 0 DGADMP CCC1([NH3+])CCN([C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000925759782 627789663 /nfs/dbraw/zinc/78/96/63/627789663.db2.gz LQDKGQMNNYNZIS-MJGOQNOKSA-N 2 1 315.505 3.243 20 0 DGADMP CCC1([NH3+])CCN([C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759784 627789737 /nfs/dbraw/zinc/78/97/37/627789737.db2.gz LRRFRARYZZAMNB-HKUYNNGSSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(OC(F)F)c1 ZINC000925778118 627793899 /nfs/dbraw/zinc/79/38/99/627793899.db2.gz IDPQOYYTNKAOMG-PWSUYJOCSA-N 2 1 320.330 3.183 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000925780611 627794890 /nfs/dbraw/zinc/79/48/90/627794890.db2.gz GAEAUWQSECRLTG-BXUZGUMPSA-N 2 1 300.780 3.162 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Oc2ccccc2)cn1 ZINC000925786545 627795725 /nfs/dbraw/zinc/79/57/25/627795725.db2.gz TXSPNLGMWSZGQR-OAGGEKHMSA-N 2 1 311.429 3.380 20 0 DGADMP C1CCC2(C1)CCCC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925801732 627796982 /nfs/dbraw/zinc/79/69/82/627796982.db2.gz YOVAIZPTHFPGIZ-DLBZAZTESA-N 2 1 306.494 3.238 20 0 DGADMP C1CCC2(C1)CCCC[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925801739 627797273 /nfs/dbraw/zinc/79/72/73/627797273.db2.gz YOVAIZPTHFPGIZ-SJORKVTESA-N 2 1 306.494 3.238 20 0 DGADMP c1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)n1)CCCC2 ZINC000925806920 627798186 /nfs/dbraw/zinc/79/81/86/627798186.db2.gz SJDHCROPOKSCKH-RBUKOAKNSA-N 2 1 313.489 3.218 20 0 DGADMP c1cc2c(c(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)n1)CCCC2 ZINC000925806919 627798374 /nfs/dbraw/zinc/79/83/74/627798374.db2.gz SJDHCROPOKSCKH-OALUTQOASA-N 2 1 313.489 3.218 20 0 DGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806492 627798595 /nfs/dbraw/zinc/79/85/95/627798595.db2.gz DYTQQJRDFCLUFE-FXAWDEMLSA-N 2 1 317.521 3.095 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1c[nH+]ccc1N ZINC000925837228 627803479 /nfs/dbraw/zinc/80/34/79/627803479.db2.gz CVHBLSPFFHJKAW-SGIREYDYSA-N 2 1 303.356 3.194 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@H]2C)CC1 ZINC000816649397 627819985 /nfs/dbraw/zinc/81/99/85/627819985.db2.gz YPHXKYXOJDMQRA-IAGOWNOFSA-N 2 1 301.478 3.059 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](C)[C@@H]2C)CC1 ZINC000816649398 627820076 /nfs/dbraw/zinc/82/00/76/627820076.db2.gz YPHXKYXOJDMQRA-IRXDYDNUSA-N 2 1 301.478 3.059 20 0 DGADMP CCc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)cc1 ZINC000926204054 627861268 /nfs/dbraw/zinc/86/12/68/627861268.db2.gz QOZBWCZVOWYUKH-HXUWFJFHSA-N 2 1 320.440 3.299 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000926288435 627875149 /nfs/dbraw/zinc/87/51/49/627875149.db2.gz VITLTBKDDAJTHJ-CVEARBPZSA-N 2 1 315.461 3.319 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926571682 627916205 /nfs/dbraw/zinc/91/62/05/627916205.db2.gz AFQIYCDPSIHNSX-BBRMVZONSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736615 627943450 /nfs/dbraw/zinc/94/34/50/627943450.db2.gz ZVSATNWYYJBKSO-UKRRQHHQSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736615 627943456 /nfs/dbraw/zinc/94/34/56/627943456.db2.gz ZVSATNWYYJBKSO-UKRRQHHQSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)cc(F)c1 ZINC000926736615 627943462 /nfs/dbraw/zinc/94/34/62/627943462.db2.gz ZVSATNWYYJBKSO-UKRRQHHQSA-N 2 1 306.425 3.304 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000926779010 627952064 /nfs/dbraw/zinc/95/20/64/627952064.db2.gz UMBPWRBSSIUJDJ-NLWGTHIKSA-N 2 1 323.484 3.370 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817897376 627955051 /nfs/dbraw/zinc/95/50/51/627955051.db2.gz NBBDDTMRTBEBCN-QRQLOZEOSA-N 2 1 301.478 3.084 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000817897871 627955157 /nfs/dbraw/zinc/95/51/57/627955157.db2.gz XHECWVQBMNHCSS-ZHALLVOQSA-N 2 1 301.478 3.084 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805246 627958259 /nfs/dbraw/zinc/95/82/59/627958259.db2.gz PCRAESCIHQKJLS-APWZRJJASA-N 2 1 301.478 3.399 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000817905995 627958252 /nfs/dbraw/zinc/95/82/52/627958252.db2.gz WUZIIRVLAZIJIR-ILXRZTDVSA-N 2 1 317.260 3.276 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805246 627958261 /nfs/dbraw/zinc/95/82/61/627958261.db2.gz PCRAESCIHQKJLS-APWZRJJASA-N 2 1 301.478 3.399 20 0 DGADMP C[C@]1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927274 627963839 /nfs/dbraw/zinc/96/38/39/627963839.db2.gz DROGDNMJOIRWRJ-XUVXKRRUSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc(C[NH+](C)C)c1 ZINC000926881729 627969255 /nfs/dbraw/zinc/96/92/55/627969255.db2.gz DNQNBJBZRYYTMH-HNNXBMFYSA-N 2 1 312.461 3.060 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817958772 627975120 /nfs/dbraw/zinc/97/51/20/627975120.db2.gz MIGMVEJCCZSYCC-GOEBONIOSA-N 2 1 319.449 3.057 20 0 DGADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1SC(F)F ZINC000817978027 627981513 /nfs/dbraw/zinc/98/15/13/627981513.db2.gz UDELQNUZFCOMEC-GUBZILKMSA-N 2 1 304.406 3.396 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]2CCC[C@@H]21 ZINC000926978207 627992017 /nfs/dbraw/zinc/99/20/17/627992017.db2.gz QNJFAFDAANBLPW-FLXSYLCISA-N 2 1 320.427 3.498 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]2CCC[C@H]21 ZINC000926978212 627992182 /nfs/dbraw/zinc/99/21/82/627992182.db2.gz QNJFAFDAANBLPW-IGKNDFSCSA-N 2 1 320.427 3.498 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927015351 627998003 /nfs/dbraw/zinc/99/80/03/627998003.db2.gz BEQXFUCYXKEOCH-DFQSSKMNSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000818357134 628018094 /nfs/dbraw/zinc/01/80/94/628018094.db2.gz YHKGNVBZVQVURM-XYTVBORESA-N 2 1 324.509 3.205 20 0 DGADMP Cc1ccccc1[C@H](O)C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000818943533 628064384 /nfs/dbraw/zinc/06/43/84/628064384.db2.gz VEYATJITZDQMLU-HXUWFJFHSA-N 2 1 312.457 3.140 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000818962737 628068886 /nfs/dbraw/zinc/06/88/86/628068886.db2.gz XEAWRWNLUIBWAS-FQEVSTJZSA-N 2 1 312.457 3.350 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000819221316 628115601 /nfs/dbraw/zinc/11/56/01/628115601.db2.gz XMDBXOCNIFRQPY-QRWLVFNGSA-N 2 1 310.441 3.113 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000820811255 628299568 /nfs/dbraw/zinc/29/95/68/628299568.db2.gz NRVQUDNCHLPFHO-MOUFXGFKSA-N 2 1 304.478 3.082 20 0 DGADMP Cc1noc(C)c1[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820829443 628301884 /nfs/dbraw/zinc/30/18/84/628301884.db2.gz JIQJFOOVPGDWKV-MPRMVAPJSA-N 2 1 303.450 3.142 20 0 DGADMP c1ccc(COC2CC([N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000821379179 628361672 /nfs/dbraw/zinc/36/16/72/628361672.db2.gz BSCZEMSTSHTFRP-HDYDNRTBSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900113 629001578 /nfs/dbraw/zinc/00/15/78/629001578.db2.gz NNOVXDJYKDLLTA-KBPBESRZSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@@]1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1(Cl)Cl ZINC000827900113 629001581 /nfs/dbraw/zinc/00/15/81/629001581.db2.gz NNOVXDJYKDLLTA-KBPBESRZSA-N 2 1 305.293 3.378 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000834585381 629735104 /nfs/dbraw/zinc/73/51/04/629735104.db2.gz OGHZWHSGBXBLMT-OALUTQOASA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(-c2ccccc2)c1 ZINC000834910308 629806561 /nfs/dbraw/zinc/80/65/61/629806561.db2.gz SNECVOQCVQBRAB-INIZCTEOSA-N 2 1 312.461 3.397 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000840942570 630381925 /nfs/dbraw/zinc/38/19/25/630381925.db2.gz HMDCRELQRNDJCR-HXUWFJFHSA-N 2 1 324.472 3.041 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000840942570 630381926 /nfs/dbraw/zinc/38/19/26/630381926.db2.gz HMDCRELQRNDJCR-HXUWFJFHSA-N 2 1 324.472 3.041 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000841028037 630398221 /nfs/dbraw/zinc/39/82/21/630398221.db2.gz JZMZSJWKKLDWFY-HKUYNNGSSA-N 3 1 307.526 3.138 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000841028039 630398500 /nfs/dbraw/zinc/39/85/00/630398500.db2.gz JZMZSJWKKLDWFY-MJGOQNOKSA-N 3 1 307.526 3.138 20 0 DGADMP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841051685 630402520 /nfs/dbraw/zinc/40/25/20/630402520.db2.gz QJKIOWYQIBABDE-CYBMUJFWSA-N 2 1 320.868 3.476 20 0 DGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000842476750 630540154 /nfs/dbraw/zinc/54/01/54/630540154.db2.gz UTLFTZFXPXYWSF-LJQANCHMSA-N 2 1 304.478 3.229 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843044033 630607871 /nfs/dbraw/zinc/60/78/71/630607871.db2.gz AGJNWSJUKVAXGZ-CYBMUJFWSA-N 2 1 300.418 3.433 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843044033 630607874 /nfs/dbraw/zinc/60/78/74/630607874.db2.gz AGJNWSJUKVAXGZ-CYBMUJFWSA-N 2 1 300.418 3.433 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)C2CCC([NH3+])CC2)cc1F ZINC000843055301 630609404 /nfs/dbraw/zinc/60/94/04/630609404.db2.gz XAMZQHXJBAWFRY-JEYLPNPQSA-N 2 1 308.441 3.215 20 0 DGADMP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000843055530 630609647 /nfs/dbraw/zinc/60/96/47/630609647.db2.gz FVAIAJOLHTXHRK-UHFFFAOYSA-N 2 1 318.852 3.432 20 0 DGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1Cl ZINC000843113507 630615025 /nfs/dbraw/zinc/61/50/25/630615025.db2.gz VYHNEXCSWQDINL-AWEZNQCLSA-N 2 1 312.889 3.206 20 0 DGADMP CC(C)[C@@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000843150999 630621137 /nfs/dbraw/zinc/62/11/37/630621137.db2.gz MAJINIIAPSRDDJ-JKSUJKDBSA-N 2 1 314.433 3.105 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000843342714 630647510 /nfs/dbraw/zinc/64/75/10/630647510.db2.gz SJHDTKLJIAYETJ-HNNXBMFYSA-N 3 1 300.450 3.350 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343011 630647632 /nfs/dbraw/zinc/64/76/32/630647632.db2.gz QLEQNYQYJWJKMS-MJGOQNOKSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343011 630647633 /nfs/dbraw/zinc/64/76/33/630647633.db2.gz QLEQNYQYJWJKMS-MJGOQNOKSA-N 3 1 303.494 3.006 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+](C)C3CCC([NH3+])CC3)c2cc1C ZINC000843354585 630648847 /nfs/dbraw/zinc/64/88/47/630648847.db2.gz DHKMHMADNADVSG-UHFFFAOYSA-N 2 1 314.429 3.112 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(Cl)c1 ZINC000843360239 630650003 /nfs/dbraw/zinc/65/00/03/630650003.db2.gz IVHPOEYNIPCHOO-VHRNVKJDSA-N 2 1 321.852 3.013 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(Cl)c1 ZINC000843360239 630650006 /nfs/dbraw/zinc/65/00/06/630650006.db2.gz IVHPOEYNIPCHOO-VHRNVKJDSA-N 2 1 321.852 3.013 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844375869 630722805 /nfs/dbraw/zinc/72/28/05/630722805.db2.gz QUJYRONBXMIDAP-ROUUACIJSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844375869 630722806 /nfs/dbraw/zinc/72/28/06/630722806.db2.gz QUJYRONBXMIDAP-ROUUACIJSA-N 2 1 322.880 3.108 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844375869 630722807 /nfs/dbraw/zinc/72/28/07/630722807.db2.gz QUJYRONBXMIDAP-ROUUACIJSA-N 2 1 322.880 3.108 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000844910855 630977640 /nfs/dbraw/zinc/97/76/40/630977640.db2.gz KJVWBURLMFRDTH-BPLDGKMQSA-N 2 1 314.882 3.262 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000844913027 630978891 /nfs/dbraw/zinc/97/88/91/630978891.db2.gz XMMTUASXYFMTRV-FVQBIDKESA-N 2 1 323.506 3.127 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)s1 ZINC000846104214 631209586 /nfs/dbraw/zinc/20/95/86/631209586.db2.gz DSBZELKIHUMMIF-JTQLQIEISA-N 2 1 322.305 3.268 20 0 DGADMP CC[N@@H+](CCC[NH2+]C1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000846183169 631213857 /nfs/dbraw/zinc/21/38/57/631213857.db2.gz QCEWKOJPAZKLJL-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cc(C)nn1C)C1CCCCC1 ZINC000846181749 631213861 /nfs/dbraw/zinc/21/38/61/631213861.db2.gz ICPCFTMFEIAIQP-INIZCTEOSA-N 2 1 306.498 3.424 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cc(C)nn1C)C1CCCCC1 ZINC000846181749 631213863 /nfs/dbraw/zinc/21/38/63/631213863.db2.gz ICPCFTMFEIAIQP-INIZCTEOSA-N 2 1 306.498 3.424 20 0 DGADMP CC[N@H+](CCC[NH2+][C@H](C)c1cc(C)nn1C)C1CCCCC1 ZINC000846181751 631213928 /nfs/dbraw/zinc/21/39/28/631213928.db2.gz ICPCFTMFEIAIQP-MRXNPFEDSA-N 2 1 306.498 3.424 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cc(C)nn1C)C1CCCCC1 ZINC000846181751 631213930 /nfs/dbraw/zinc/21/39/30/631213930.db2.gz ICPCFTMFEIAIQP-MRXNPFEDSA-N 2 1 306.498 3.424 20 0 DGADMP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H](O)c1ccc(C)cc1 ZINC000846219337 631215330 /nfs/dbraw/zinc/21/53/30/631215330.db2.gz ORKHPMJYKMXBBH-OAQYLSRUSA-N 2 1 324.468 3.196 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000846219870 631215568 /nfs/dbraw/zinc/21/55/68/631215568.db2.gz ADZLXCUIZSBNNA-UYAOXDASSA-N 2 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000846219870 631215569 /nfs/dbraw/zinc/21/55/69/631215569.db2.gz ADZLXCUIZSBNNA-UYAOXDASSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000846219870 631215570 /nfs/dbraw/zinc/21/55/70/631215570.db2.gz ADZLXCUIZSBNNA-UYAOXDASSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219870 631215571 /nfs/dbraw/zinc/21/55/71/631215571.db2.gz ADZLXCUIZSBNNA-UYAOXDASSA-N 3 1 317.521 3.490 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000846219870 631215572 /nfs/dbraw/zinc/21/55/72/631215572.db2.gz ADZLXCUIZSBNNA-UYAOXDASSA-N 3 1 317.521 3.490 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000846220590 631215747 /nfs/dbraw/zinc/21/57/47/631215747.db2.gz MFQPYNDGSRAXIE-INIZCTEOSA-N 2 1 300.450 3.020 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000848549790 631688299 /nfs/dbraw/zinc/68/82/99/631688299.db2.gz UKQIVJRMGYHQEC-UZLBHIALSA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549790 631688306 /nfs/dbraw/zinc/68/83/06/631688306.db2.gz UKQIVJRMGYHQEC-UZLBHIALSA-N 2 1 324.472 3.348 20 0 DGADMP COc1ccc(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)cc1Cl ZINC000848988012 631798344 /nfs/dbraw/zinc/79/83/44/631798344.db2.gz YDDCYYKKFPSXFL-UHFFFAOYSA-N 2 1 312.845 3.015 20 0 DGADMP CCN(CC)C(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989269 631799093 /nfs/dbraw/zinc/79/90/93/631799093.db2.gz JXLYJXNHTCCEAA-FUHWJXTLSA-N 2 1 316.493 3.153 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989538 631799331 /nfs/dbraw/zinc/79/93/31/631799331.db2.gz WKNLLWCFXXMBML-XYJFISCASA-N 2 1 316.493 3.200 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000848992819 631800063 /nfs/dbraw/zinc/80/00/63/631800063.db2.gz WXWKQZWZVCEQPB-LSDHHAIUSA-N 2 1 302.466 3.478 20 0 DGADMP C[C@@H](CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)[NH+](C)C ZINC000848996600 631801590 /nfs/dbraw/zinc/80/15/90/631801590.db2.gz JUFLBCROZRFTBP-AWEZNQCLSA-N 2 1 312.417 3.365 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000849023043 631808859 /nfs/dbraw/zinc/80/88/59/631808859.db2.gz HGXYQMLROXEHKP-QGZVFWFLSA-N 2 1 300.450 3.202 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041066 631815722 /nfs/dbraw/zinc/81/57/22/631815722.db2.gz JHTFPNWHDKCRMV-OAHLLOKOSA-N 2 1 316.493 3.480 20 0 DGADMP CC(C)c1cccc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000849041622 631816742 /nfs/dbraw/zinc/81/67/42/631816742.db2.gz SVNLBXRKVKXTAX-OAHLLOKOSA-N 2 1 302.466 3.478 20 0 DGADMP CCCNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000849052404 631820003 /nfs/dbraw/zinc/82/00/03/631820003.db2.gz VPUTXDLRKUPLTN-HNNXBMFYSA-N 2 1 310.873 3.247 20 0 DGADMP CCCNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000849052404 631820011 /nfs/dbraw/zinc/82/00/11/631820011.db2.gz VPUTXDLRKUPLTN-HNNXBMFYSA-N 2 1 310.873 3.247 20 0 DGADMP CCc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000849059574 631823488 /nfs/dbraw/zinc/82/34/88/631823488.db2.gz UWYVWTNNSMYHTD-CABCVRRESA-N 2 1 302.466 3.306 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849063984 631824108 /nfs/dbraw/zinc/82/41/08/631824108.db2.gz WTUCIGJHVJUZGG-GOSISDBHSA-N 2 1 316.493 3.264 20 0 DGADMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCCC[C@@H]1C ZINC000849061675 631824417 /nfs/dbraw/zinc/82/44/17/631824417.db2.gz XPQZGAWWZPQZED-GJZGRUSLSA-N 2 1 314.477 3.374 20 0 DGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000849096688 631834110 /nfs/dbraw/zinc/83/41/10/631834110.db2.gz JJSXTHSBQYDJOL-HUUCEWRRSA-N 2 1 302.466 3.478 20 0 DGADMP COc1cncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000850096308 632055201 /nfs/dbraw/zinc/05/52/01/632055201.db2.gz LGAFJEUIPHCZMJ-UHFFFAOYSA-N 2 1 317.477 3.225 20 0 DGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850350131 632121832 /nfs/dbraw/zinc/12/18/32/632121832.db2.gz OKJKCSSRLUCMTN-ZDUSSCGKSA-N 2 1 321.465 3.373 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc2ccccc21 ZINC000850360127 632124472 /nfs/dbraw/zinc/12/44/72/632124472.db2.gz CENRIQTYFJLCBL-MBOZVWFJSA-N 2 1 310.441 3.090 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425604 632148761 /nfs/dbraw/zinc/14/87/61/632148761.db2.gz VWSWOLKKQVVMFM-JCGIZDLHSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425604 632148762 /nfs/dbraw/zinc/14/87/62/632148762.db2.gz VWSWOLKKQVVMFM-JCGIZDLHSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425604 632148763 /nfs/dbraw/zinc/14/87/63/632148763.db2.gz VWSWOLKKQVVMFM-JCGIZDLHSA-N 2 1 300.446 3.289 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCCO2 ZINC000850425604 632148765 /nfs/dbraw/zinc/14/87/65/632148765.db2.gz VWSWOLKKQVVMFM-JCGIZDLHSA-N 2 1 300.446 3.289 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850426998 632149445 /nfs/dbraw/zinc/14/94/45/632149445.db2.gz JWXQVWVWTRPISV-CVEARBPZSA-N 2 1 302.462 3.394 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000850465985 632161509 /nfs/dbraw/zinc/16/15/09/632161509.db2.gz HXLFQEAZGZVDAT-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572366 632198121 /nfs/dbraw/zinc/19/81/21/632198121.db2.gz CFFNBLTWDUWMMH-NBMRYCAZSA-N 2 1 324.896 3.470 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572366 632198126 /nfs/dbraw/zinc/19/81/26/632198126.db2.gz CFFNBLTWDUWMMH-NBMRYCAZSA-N 2 1 324.896 3.470 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851813294 632500834 /nfs/dbraw/zinc/50/08/34/632500834.db2.gz RPMDFGIZERBUMA-FUHWJXTLSA-N 2 1 324.509 3.114 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1csc2ccccc21 ZINC000851930820 632524402 /nfs/dbraw/zinc/52/44/02/632524402.db2.gz CZMJZQSXXZAKHR-ZIAGYGMSSA-N 2 1 306.475 3.253 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1csc2ccccc21 ZINC000851930820 632524406 /nfs/dbraw/zinc/52/44/06/632524406.db2.gz CZMJZQSXXZAKHR-ZIAGYGMSSA-N 2 1 306.475 3.253 20 0 DGADMP FC(F)OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000852085291 632551518 /nfs/dbraw/zinc/55/15/18/632551518.db2.gz HGSBEMRGPANAJN-UHFFFAOYSA-N 2 1 324.415 3.214 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000072965449 660232887 /nfs/dbraw/zinc/23/28/87/660232887.db2.gz DPPXLDAMGGMVQO-NSHGMRRFSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000072965449 660232889 /nfs/dbraw/zinc/23/28/89/660232889.db2.gz DPPXLDAMGGMVQO-NSHGMRRFSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000072965449 660232891 /nfs/dbraw/zinc/23/28/91/660232891.db2.gz DPPXLDAMGGMVQO-NSHGMRRFSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000072965449 660232892 /nfs/dbraw/zinc/23/28/92/660232892.db2.gz DPPXLDAMGGMVQO-NSHGMRRFSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737904 660238667 /nfs/dbraw/zinc/23/86/67/660238667.db2.gz GLCKNVHGMMVDCY-ZWOKBUDYSA-N 2 1 316.489 3.137 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000158007036 661869692 /nfs/dbraw/zinc/86/96/92/661869692.db2.gz AADFDMPUPNBYIS-OAHLLOKOSA-N 2 1 316.555 3.386 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C12CCC2 ZINC000453194862 660485910 /nfs/dbraw/zinc/48/59/10/660485910.db2.gz IMSNCNSHJBDZOJ-MXSMSXNCSA-N 2 1 306.494 3.187 20 0 DGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034438023 660754169 /nfs/dbraw/zinc/75/41/69/660754169.db2.gz JZZGCDAHTOTGMH-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034438559 660754215 /nfs/dbraw/zinc/75/42/15/660754215.db2.gz OQZZKMSOUQILNY-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034438559 660754217 /nfs/dbraw/zinc/75/42/17/660754217.db2.gz OQZZKMSOUQILNY-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034438559 660754219 /nfs/dbraw/zinc/75/42/19/660754219.db2.gz OQZZKMSOUQILNY-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCc2cccnc21 ZINC000708554275 660924061 /nfs/dbraw/zinc/92/40/61/660924061.db2.gz WYAPGGGRWYEPRZ-UXPWSPDFSA-N 2 1 321.468 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCc2cccnc21 ZINC000708554275 660924062 /nfs/dbraw/zinc/92/40/62/660924062.db2.gz WYAPGGGRWYEPRZ-UXPWSPDFSA-N 2 1 321.468 3.427 20 0 DGADMP C[N@H+](CCCCCC[NH3+])Cc1cscc1Br ZINC000710715148 660932586 /nfs/dbraw/zinc/93/25/86/660932586.db2.gz ZONJTAQSUJBOBT-UHFFFAOYSA-N 2 1 305.285 3.462 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cscc1Br ZINC000710715148 660932588 /nfs/dbraw/zinc/93/25/88/660932588.db2.gz ZONJTAQSUJBOBT-UHFFFAOYSA-N 2 1 305.285 3.462 20 0 DGADMP CC[C@@H](OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733458 655731426 /nfs/dbraw/zinc/73/14/26/655731426.db2.gz JTZLAUGLOXKYED-IPMKNSEASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733458 655731427 /nfs/dbraw/zinc/73/14/27/655731427.db2.gz JTZLAUGLOXKYED-IPMKNSEASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733458 655731428 /nfs/dbraw/zinc/73/14/28/655731428.db2.gz JTZLAUGLOXKYED-IPMKNSEASA-N 2 1 302.462 3.038 20 0 DGADMP CC[C@@H](OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933733458 655731430 /nfs/dbraw/zinc/73/14/30/655731430.db2.gz JTZLAUGLOXKYED-IPMKNSEASA-N 2 1 302.462 3.038 20 0 DGADMP Cc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]c1 ZINC000121612992 655737131 /nfs/dbraw/zinc/73/71/31/655737131.db2.gz FPTUWMBXFLVGKR-UHFFFAOYSA-N 2 1 311.429 3.477 20 0 DGADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000262039595 655756218 /nfs/dbraw/zinc/75/62/18/655756218.db2.gz OZXCQSZAHWOVND-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251885292 655851827 /nfs/dbraw/zinc/85/18/27/655851827.db2.gz VCRKSBANYXVNCQ-GXFFZTMASA-N 2 1 304.381 3.468 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251885292 655851829 /nfs/dbraw/zinc/85/18/29/655851829.db2.gz VCRKSBANYXVNCQ-GXFFZTMASA-N 2 1 304.381 3.468 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000310019825 655889982 /nfs/dbraw/zinc/88/99/82/655889982.db2.gz QRKFDDDMGHWKFN-QXAKKESOSA-N 2 1 302.462 3.056 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000309730327 656046185 /nfs/dbraw/zinc/04/61/85/656046185.db2.gz OSUHRIKPOZYZJM-MJGOQNOKSA-N 2 1 307.441 3.181 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc43)C2)cc1 ZINC000309730327 656046187 /nfs/dbraw/zinc/04/61/87/656046187.db2.gz OSUHRIKPOZYZJM-MJGOQNOKSA-N 2 1 307.441 3.181 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cccc(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000309929962 656126658 /nfs/dbraw/zinc/12/66/58/656126658.db2.gz YRAVZQKJLYPDLK-FQEVSTJZSA-N 2 1 310.441 3.394 20 0 DGADMP C[C@@]1(C[NH2+]Cc2cccc(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309929962 656126660 /nfs/dbraw/zinc/12/66/60/656126660.db2.gz YRAVZQKJLYPDLK-FQEVSTJZSA-N 2 1 310.441 3.394 20 0 DGADMP CC[C@@](C)(C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000318971575 656139100 /nfs/dbraw/zinc/13/91/00/656139100.db2.gz DWGIBBGLVMYGGI-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000313566256 656292841 /nfs/dbraw/zinc/29/28/41/656292841.db2.gz MAIVOWIDTINXGK-FPOVZHCZSA-N 2 1 324.468 3.222 20 0 DGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763700 656763799 /nfs/dbraw/zinc/76/37/99/656763799.db2.gz JAOQRPADNADCHV-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763700 656763806 /nfs/dbraw/zinc/76/38/06/656763806.db2.gz JAOQRPADNADCHV-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052763700 656763812 /nfs/dbraw/zinc/76/38/12/656763812.db2.gz JAOQRPADNADCHV-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261745887 657074394 /nfs/dbraw/zinc/07/43/94/657074394.db2.gz BVEWEEVEDZTCJL-AWEZNQCLSA-N 2 1 316.395 3.377 20 0 DGADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250077008 657447098 /nfs/dbraw/zinc/44/70/98/657447098.db2.gz FBYPXONYXQMGTL-NUEKZKHPSA-N 2 1 323.278 3.459 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)[C@H](C)C1 ZINC000305146102 657687979 /nfs/dbraw/zinc/68/79/79/657687979.db2.gz NMTHMUNZENQMEP-KBMXLJTQSA-N 2 1 318.486 3.255 20 0 DGADMP CC(C)c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192754510 657797002 /nfs/dbraw/zinc/79/70/02/657797002.db2.gz RBYCLVYQZYXSHH-AYHJJNSGSA-N 2 1 302.462 3.404 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000050247340 658077557 /nfs/dbraw/zinc/07/75/57/658077557.db2.gz KSEYXCUDBQKEKB-JTQLQIEISA-N 2 1 305.274 3.366 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000050247340 658077566 /nfs/dbraw/zinc/07/75/66/658077566.db2.gz KSEYXCUDBQKEKB-JTQLQIEISA-N 2 1 305.274 3.366 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826145 658224960 /nfs/dbraw/zinc/22/49/60/658224960.db2.gz RDZWCZSSFCESTJ-NUJGCVRESA-N 2 1 301.478 3.039 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826145 658224971 /nfs/dbraw/zinc/22/49/71/658224971.db2.gz RDZWCZSSFCESTJ-NUJGCVRESA-N 2 1 301.478 3.039 20 0 DGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000721201781 658675810 /nfs/dbraw/zinc/67/58/10/658675810.db2.gz LKRFSDZXCZVLFA-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000164726364 658943476 /nfs/dbraw/zinc/94/34/76/658943476.db2.gz AXZZTTOTDWSMAP-AEFFLSMTSA-N 2 1 312.461 3.027 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC000227808162 659164562 /nfs/dbraw/zinc/16/45/62/659164562.db2.gz RSOBYBCTWGHHDG-LLVKDONJSA-N 2 1 317.296 3.250 20 0 DGADMP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060978615 659222506 /nfs/dbraw/zinc/22/25/06/659222506.db2.gz GKHZNJZPVGVXQG-HDICACEKSA-N 2 1 314.473 3.156 20 0 DGADMP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060978615 659222509 /nfs/dbraw/zinc/22/25/09/659222509.db2.gz GKHZNJZPVGVXQG-HDICACEKSA-N 2 1 314.473 3.156 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954356 659406251 /nfs/dbraw/zinc/40/62/51/659406251.db2.gz IPSHTKMIQRIVFL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954356 659406256 /nfs/dbraw/zinc/40/62/56/659406256.db2.gz IPSHTKMIQRIVFL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954356 659406259 /nfs/dbraw/zinc/40/62/59/659406259.db2.gz IPSHTKMIQRIVFL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)cc1 ZINC000173954356 659406263 /nfs/dbraw/zinc/40/62/63/659406263.db2.gz IPSHTKMIQRIVFL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP Cc1nc(C)c(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[nH]1 ZINC000929754906 661334765 /nfs/dbraw/zinc/33/47/65/661334765.db2.gz IHILJHXEQYDFHZ-HNNXBMFYSA-N 2 1 312.461 3.123 20 0 DGADMP CCc1ncc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000929754426 661334847 /nfs/dbraw/zinc/33/48/47/661334847.db2.gz ODMLYJRLLHRGOW-QGZVFWFLSA-N 2 1 313.445 3.191 20 0 DGADMP COC/C(C)=C\C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929755316 661335277 /nfs/dbraw/zinc/33/52/77/661335277.db2.gz VJSJJXTZMSMOQP-IISPMBILSA-N 2 1 302.462 3.033 20 0 DGADMP COC/C(C)=C\C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929755316 661335279 /nfs/dbraw/zinc/33/52/79/661335279.db2.gz VJSJJXTZMSMOQP-IISPMBILSA-N 2 1 302.462 3.033 20 0 DGADMP COC/C(C)=C\C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929755316 661335281 /nfs/dbraw/zinc/33/52/81/661335281.db2.gz VJSJJXTZMSMOQP-IISPMBILSA-N 2 1 302.462 3.033 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842008 661343634 /nfs/dbraw/zinc/34/36/34/661343634.db2.gz AVTXLTCHDZSCGO-DCCYDQLOSA-N 2 1 314.473 3.150 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842008 661343636 /nfs/dbraw/zinc/34/36/36/661343636.db2.gz AVTXLTCHDZSCGO-DCCYDQLOSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842008 661343639 /nfs/dbraw/zinc/34/36/39/661343639.db2.gz AVTXLTCHDZSCGO-DCCYDQLOSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CC[C@H]21 ZINC000929842008 661343640 /nfs/dbraw/zinc/34/36/40/661343640.db2.gz AVTXLTCHDZSCGO-DCCYDQLOSA-N 2 1 314.473 3.150 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000929962523 661353999 /nfs/dbraw/zinc/35/39/99/661353999.db2.gz VALNTABBMFTLJC-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCSc2ccncc2)cc1 ZINC000930117579 661368389 /nfs/dbraw/zinc/36/83/89/661368389.db2.gz QUWUXVDLBGPIFT-UHFFFAOYSA-N 2 1 315.486 3.367 20 0 DGADMP COC/C(C)=C\C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460984 661400869 /nfs/dbraw/zinc/40/08/69/661400869.db2.gz MZBQSEBRBGBSMI-FFMVHGEESA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C\C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930460984 661400870 /nfs/dbraw/zinc/40/08/70/661400870.db2.gz MZBQSEBRBGBSMI-FFMVHGEESA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C\C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930460984 661400871 /nfs/dbraw/zinc/40/08/71/661400871.db2.gz MZBQSEBRBGBSMI-FFMVHGEESA-N 2 1 314.473 3.177 20 0 DGADMP COC/C(C)=C\C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930460984 661400872 /nfs/dbraw/zinc/40/08/72/661400872.db2.gz MZBQSEBRBGBSMI-FFMVHGEESA-N 2 1 314.473 3.177 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)C3CC3)C2)ccn1 ZINC000931095070 661451927 /nfs/dbraw/zinc/45/19/27/661451927.db2.gz ROAQQWOUEHMWNC-DNVCBOLYSA-N 2 1 317.477 3.173 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)C3CC3)C2)ccn1 ZINC000931095070 661451928 /nfs/dbraw/zinc/45/19/28/661451928.db2.gz ROAQQWOUEHMWNC-DNVCBOLYSA-N 2 1 317.477 3.173 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288284 661464446 /nfs/dbraw/zinc/46/44/46/661464446.db2.gz IFDPLOQSGBAVOX-IBGZPJMESA-N 2 1 302.462 3.324 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288284 661464448 /nfs/dbraw/zinc/46/44/48/661464448.db2.gz IFDPLOQSGBAVOX-IBGZPJMESA-N 2 1 302.462 3.324 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433353 661476375 /nfs/dbraw/zinc/47/63/75/661476375.db2.gz YXUKUWXRYFSCKU-VHDGCEQUSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433353 661476377 /nfs/dbraw/zinc/47/63/77/661476377.db2.gz YXUKUWXRYFSCKU-VHDGCEQUSA-N 2 1 310.388 3.233 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433353 661476379 /nfs/dbraw/zinc/47/63/79/661476379.db2.gz YXUKUWXRYFSCKU-VHDGCEQUSA-N 2 1 310.388 3.233 20 0 DGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(F)ccc1OC ZINC000932467709 661572425 /nfs/dbraw/zinc/57/24/25/661572425.db2.gz DCWOVVJVBIZHPL-INIZCTEOSA-N 2 1 305.397 3.241 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000188067529 661914169 /nfs/dbraw/zinc/91/41/69/661914169.db2.gz AEQLFCRFVXDBHW-STQMWFEESA-N 2 1 311.813 3.211 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@@H](C)C1 ZINC000245917032 662244011 /nfs/dbraw/zinc/24/40/11/662244011.db2.gz GOQXMOYEHWCGSP-HOCLYGCPSA-N 2 1 315.461 3.039 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)oc21 ZINC000092043223 662326237 /nfs/dbraw/zinc/32/62/37/662326237.db2.gz ZJTNUCIMQCEMAD-WBVHZDCISA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)oc21 ZINC000092043223 662326240 /nfs/dbraw/zinc/32/62/40/662326240.db2.gz ZJTNUCIMQCEMAD-WBVHZDCISA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)oc21 ZINC000092043223 662326242 /nfs/dbraw/zinc/32/62/42/662326242.db2.gz ZJTNUCIMQCEMAD-WBVHZDCISA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)oc21 ZINC000092043222 662326680 /nfs/dbraw/zinc/32/66/80/662326680.db2.gz ZJTNUCIMQCEMAD-RDJZCZTQSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)oc21 ZINC000092043222 662326681 /nfs/dbraw/zinc/32/66/81/662326681.db2.gz ZJTNUCIMQCEMAD-RDJZCZTQSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)oc21 ZINC000092043222 662326682 /nfs/dbraw/zinc/32/66/82/662326682.db2.gz ZJTNUCIMQCEMAD-RDJZCZTQSA-N 2 1 314.429 3.358 20 0 DGADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248550866 662353238 /nfs/dbraw/zinc/35/32/38/662353238.db2.gz GLCKNVHGMMVDCY-ABSDTBQOSA-N 2 1 316.489 3.137 20 0 DGADMP CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000380964053 685154786 /nfs/dbraw/zinc/15/47/86/685154786.db2.gz XVEPJTMCELOVPT-UFYCRDLUSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000382656738 685164240 /nfs/dbraw/zinc/16/42/40/685164240.db2.gz AVPUTDBBSPBENV-GOSISDBHSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@@H]1CCN(CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382656738 685164246 /nfs/dbraw/zinc/16/42/46/685164246.db2.gz AVPUTDBBSPBENV-GOSISDBHSA-N 2 1 303.494 3.102 20 0 DGADMP C[C@@H]1CCN(CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000382656738 685164253 /nfs/dbraw/zinc/16/42/53/685164253.db2.gz AVPUTDBBSPBENV-GOSISDBHSA-N 2 1 303.494 3.102 20 0 DGADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CCC([NH3+])CC1 ZINC000387682276 685185307 /nfs/dbraw/zinc/18/53/07/685185307.db2.gz CXNXGYBOSXBWOG-UHFFFAOYSA-N 2 1 324.852 3.203 20 0 DGADMP C[C@]1(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CCC[NH2+]C1 ZINC001576502627 1191833115 /nfs/dbraw/zinc/83/31/15/1191833115.db2.gz DBVSJTHQRMIULT-LNLFQRSKSA-N 2 1 320.477 3.337 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC001576526239 1191839747 /nfs/dbraw/zinc/83/97/47/1191839747.db2.gz OPTAJJJWMONGQG-KRWDZBQOSA-N 2 1 324.490 3.183 20 0 DGADMP C[C@@H]1[C@H](C)N(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@@H](C)C[N@H+]1C ZINC001576574629 1191846980 /nfs/dbraw/zinc/84/69/80/1191846980.db2.gz VMPRFOIKPPYUPY-UIBIWLFHSA-N 2 1 323.525 3.004 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001620778376 1191848174 /nfs/dbraw/zinc/84/81/74/1191848174.db2.gz QFNSVMHQUPLXSI-YESZJQIVSA-N 2 1 312.498 3.208 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)[C@H]1CC[NH3+] ZINC001576709144 1191864727 /nfs/dbraw/zinc/86/47/27/1191864727.db2.gz OHGWHYJMEFGGAM-CJNGLKHVSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)[C@H]1CC[NH3+] ZINC001576709144 1191864730 /nfs/dbraw/zinc/86/47/30/1191864730.db2.gz OHGWHYJMEFGGAM-CJNGLKHVSA-N 2 1 306.425 3.316 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C[C@H]1C[NH3+] ZINC001576732797 1191866327 /nfs/dbraw/zinc/86/63/27/1191866327.db2.gz XRVUUJYQWQMXSV-WDEREUQCSA-N 2 1 309.866 3.366 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC001576849858 1191871100 /nfs/dbraw/zinc/87/11/00/1191871100.db2.gz LYJKWOOOGGIACP-FPMFFAJLSA-N 2 1 317.864 3.266 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC001576849861 1191871472 /nfs/dbraw/zinc/87/14/72/1191871472.db2.gz LYJKWOOOGGIACP-YUTCNCBUSA-N 2 1 317.864 3.266 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC001576939181 1191875760 /nfs/dbraw/zinc/87/57/60/1191875760.db2.gz QEJHIZZYCPZRLY-DLBZAZTESA-N 2 1 305.466 3.017 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC001576939181 1191875762 /nfs/dbraw/zinc/87/57/62/1191875762.db2.gz QEJHIZZYCPZRLY-DLBZAZTESA-N 2 1 305.466 3.017 20 0 DGADMP CCC(CC)(C[NH3+])[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001577059133 1191882097 /nfs/dbraw/zinc/88/20/97/1191882097.db2.gz ILRAQIZBAOZVAB-UHFFFAOYSA-N 2 1 304.356 3.235 20 0 DGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC001577583700 1191907879 /nfs/dbraw/zinc/90/78/79/1191907879.db2.gz ZCOYKXILWAZVLX-OKZBNKHCSA-N 2 1 302.462 3.343 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001577939233 1191919471 /nfs/dbraw/zinc/91/94/71/1191919471.db2.gz AKNDGEMJRWBFMM-INIZCTEOSA-N 2 1 324.509 3.339 20 0 DGADMP CCOc1ccc(C[C@@H](C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001578174434 1191928881 /nfs/dbraw/zinc/92/88/81/1191928881.db2.gz UKSZOYYBNMNQIW-TZMCWYRMSA-N 2 1 318.383 3.133 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001578174431 1191929021 /nfs/dbraw/zinc/92/90/21/1191929021.db2.gz UKSZOYYBNMNQIW-GXTWGEPZSA-N 2 1 318.383 3.133 20 0 DGADMP C[N@@H+](CCOc1ccccc1C(C)(C)C)CC[C@H]1CC[NH2+]C1 ZINC001578476932 1191945788 /nfs/dbraw/zinc/94/57/88/1191945788.db2.gz LGBXGJPKOBJPHP-MRXNPFEDSA-N 2 1 304.478 3.294 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CC[NH2+]CC1 ZINC001578489228 1191946804 /nfs/dbraw/zinc/94/68/04/1191946804.db2.gz AGVGATVEXWCGSL-UHFFFAOYSA-N 3 1 315.505 3.104 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1 ZINC001578908591 1191960989 /nfs/dbraw/zinc/96/09/89/1191960989.db2.gz AKGXFBZVUKBRKP-DLBZAZTESA-N 2 1 308.853 3.103 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001579454710 1191976718 /nfs/dbraw/zinc/97/67/18/1191976718.db2.gz XHOVJGSVFNZCGS-YUELXQCFSA-N 2 1 312.379 3.350 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001579740090 1191990206 /nfs/dbraw/zinc/99/02/06/1191990206.db2.gz HHSRPJKSUQSNFG-UZLBHIALSA-N 2 1 310.441 3.101 20 0 DGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001579740090 1191990207 /nfs/dbraw/zinc/99/02/07/1191990207.db2.gz HHSRPJKSUQSNFG-UZLBHIALSA-N 2 1 310.441 3.101 20 0 DGADMP Clc1ncc(C[NH+]2CCC([C@H]3[NH2+]CC34CCC4)CC2)s1 ZINC001579939938 1191999964 /nfs/dbraw/zinc/99/99/64/1191999964.db2.gz HXUOPDUHLVRAAT-CYBMUJFWSA-N 2 1 311.882 3.151 20 0 DGADMP Cc1scc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1C ZINC001579936986 1191999426 /nfs/dbraw/zinc/99/94/26/1191999426.db2.gz HGSASVOAFLPQIC-BBWFWOEESA-N 2 1 308.491 3.226 20 0 DGADMP Cc1scc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C ZINC001579936987 1191999563 /nfs/dbraw/zinc/99/95/63/1191999563.db2.gz HGSASVOAFLPQIC-BRWVUGGUSA-N 2 1 308.491 3.226 20 0 DGADMP [NH3+]C1(CC[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CCOCC1 ZINC001580143953 1192009893 /nfs/dbraw/zinc/00/98/93/1192009893.db2.gz HRVVDAQQJOZMPH-GOSISDBHSA-N 2 1 312.457 3.278 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC001580199953 1192012947 /nfs/dbraw/zinc/01/29/47/1192012947.db2.gz OBGJINPAWOANSR-KURKYZTESA-N 2 1 322.880 3.243 20 0 DGADMP [NH3+]CCC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)CC1CCCC1 ZINC001580297076 1192019792 /nfs/dbraw/zinc/01/97/92/1192019792.db2.gz GWRXFLXTUCGMCH-QGZVFWFLSA-N 2 1 310.869 3.214 20 0 DGADMP OCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC001580881870 1192043330 /nfs/dbraw/zinc/04/33/30/1192043330.db2.gz MBNQIZOJZRYNMH-XHDPSFHLSA-N 2 1 317.260 3.006 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 ZINC001620704377 1192070373 /nfs/dbraw/zinc/07/03/73/1192070373.db2.gz JUXLYUXMZZCGIL-UHFFFAOYSA-N 2 1 312.461 3.050 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1)CC2 ZINC001620720613 1192074698 /nfs/dbraw/zinc/07/46/98/1192074698.db2.gz PQVQNLDHFGUVEM-TXPKVOOTSA-N 2 1 316.489 3.263 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1)CC2 ZINC001620720613 1192074701 /nfs/dbraw/zinc/07/47/01/1192074701.db2.gz PQVQNLDHFGUVEM-TXPKVOOTSA-N 2 1 316.489 3.263 20 0 DGADMP Cc1ccc(C)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001620819164 1192151968 /nfs/dbraw/zinc/15/19/68/1192151968.db2.gz NXCUOXSGMNDAAV-UHFFFAOYSA-N 2 1 324.472 3.469 20 0 DGADMP CCO[C@@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)C1CCCC1 ZINC001620830902 1192294771 /nfs/dbraw/zinc/29/47/71/1192294771.db2.gz CASOPGBBLNOCSJ-SFHVURJKSA-N 2 1 305.466 3.223 20 0 DGADMP CCO[C@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)C1CCCC1 ZINC001620830901 1192294919 /nfs/dbraw/zinc/29/49/19/1192294919.db2.gz CASOPGBBLNOCSJ-GOSISDBHSA-N 2 1 305.466 3.223 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)CC1 ZINC001663767651 1196942086 /nfs/dbraw/zinc/94/20/86/1196942086.db2.gz MFGHFSOJSXXIDL-RHSMWYFYSA-N 2 1 308.491 3.242 20 0 DGADMP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001620897644 1192562320 /nfs/dbraw/zinc/56/23/20/1192562320.db2.gz QJWBBFCRLVORJA-HOTGVXAUSA-N 2 1 312.461 3.077 20 0 DGADMP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001620897644 1192562323 /nfs/dbraw/zinc/56/23/23/1192562323.db2.gz QJWBBFCRLVORJA-HOTGVXAUSA-N 2 1 312.461 3.077 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H]1C ZINC001620897968 1192562753 /nfs/dbraw/zinc/56/27/53/1192562753.db2.gz CZZOHMJXGCDLOB-GIYDNNGJSA-N 2 1 316.489 3.168 20 0 DGADMP c1cc(-c2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)s2)cs1 ZINC000084654324 1176078727 /nfs/dbraw/zinc/07/87/27/1176078727.db2.gz NLPIWECOHNEEPT-LBPRGKRZSA-N 2 1 319.499 3.446 20 0 DGADMP c1cc(-c2ncc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)s2)cs1 ZINC000084654324 1176078737 /nfs/dbraw/zinc/07/87/37/1176078737.db2.gz NLPIWECOHNEEPT-LBPRGKRZSA-N 2 1 319.499 3.446 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3C[C@H](C)C[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000128670991 1176270622 /nfs/dbraw/zinc/27/06/22/1176270622.db2.gz ZQNRPIIUGCYULW-ZIAGYGMSSA-N 2 1 316.493 3.477 20 0 DGADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000388855725 1176964434 /nfs/dbraw/zinc/96/44/34/1176964434.db2.gz GOQBUYIUCOCNPQ-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168192343 1177005710 /nfs/dbraw/zinc/00/57/10/1177005710.db2.gz WPVBHXBHAVQTMV-CYBMUJFWSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168192343 1177005720 /nfs/dbraw/zinc/00/57/20/1177005720.db2.gz WPVBHXBHAVQTMV-CYBMUJFWSA-N 2 1 316.367 3.249 20 0 DGADMP C[N@H+]1CCC[C@@H](NCc2cc(F)ccc2Br)CC1 ZINC000086818832 1177545447 /nfs/dbraw/zinc/54/54/47/1177545447.db2.gz FZEYKAJLCOSWGC-CYBMUJFWSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccccc3)n2)CC1(C)C ZINC001331496949 1178226763 /nfs/dbraw/zinc/22/67/63/1178226763.db2.gz DZNGETPSDKDYDC-MRXNPFEDSA-N 2 1 313.445 3.347 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])C2CCCCC2)cc1Cl ZINC001332094283 1178357201 /nfs/dbraw/zinc/35/72/01/1178357201.db2.gz GHCKCPOOZPEWCS-MRXNPFEDSA-N 2 1 323.868 3.248 20 0 DGADMP C[C@H]1CCc2nc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)sc2C1 ZINC001332235982 1178401208 /nfs/dbraw/zinc/40/12/08/1178401208.db2.gz ASKYISONBXITFF-QWHCGFSZSA-N 2 1 307.507 3.136 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)cn1 ZINC001332338583 1178422490 /nfs/dbraw/zinc/42/24/90/1178422490.db2.gz FQWOTKGAZDRQJZ-UHFFFAOYSA-N 2 1 324.472 3.051 20 0 DGADMP Cc1cc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc(C)[nH+]1 ZINC001332659021 1178469395 /nfs/dbraw/zinc/46/93/95/1178469395.db2.gz MOGXEXGOVVJAFQ-SFHVURJKSA-N 2 1 323.440 3.182 20 0 DGADMP Cc1cc(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cc(C)[nH+]1 ZINC001332659021 1178469398 /nfs/dbraw/zinc/46/93/98/1178469398.db2.gz MOGXEXGOVVJAFQ-SFHVURJKSA-N 2 1 323.440 3.182 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C/C=C(/C)COC)CC1)CC1CC1 ZINC001332697348 1178476602 /nfs/dbraw/zinc/47/66/02/1178476602.db2.gz KALVAUNWPPYPAD-IDUWFGFVSA-N 2 1 308.510 3.413 20 0 DGADMP Cn1cc([C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)cn1 ZINC001332876967 1178513182 /nfs/dbraw/zinc/51/31/82/1178513182.db2.gz GPELSCJIJOASOV-OKZBNKHCSA-N 2 1 312.461 3.005 20 0 DGADMP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001333274373 1178579845 /nfs/dbraw/zinc/57/98/45/1178579845.db2.gz AOEDMJIFNFTILP-HNNXBMFYSA-N 2 1 311.857 3.104 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1OC ZINC001333477736 1178611562 /nfs/dbraw/zinc/61/15/62/1178611562.db2.gz GLQJQRDHXHCGOL-XIRDDKMYSA-N 2 1 320.477 3.097 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)o1 ZINC001333645103 1178645341 /nfs/dbraw/zinc/64/53/41/1178645341.db2.gz CQETTZCMSLPELK-AWEZNQCLSA-N 2 1 301.390 3.068 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc4cc(F)ccc4o3)C[C@H]2C1 ZINC001333840501 1178683639 /nfs/dbraw/zinc/68/36/39/1178683639.db2.gz GKIPUMPLVAESKO-GZBFAFLISA-N 2 1 317.408 3.129 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@H]2C1 ZINC001333890826 1178691639 /nfs/dbraw/zinc/69/16/39/1178691639.db2.gz GJXHSEXOAMCPNM-ZHALLVOQSA-N 2 1 324.472 3.034 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001334358254 1178753658 /nfs/dbraw/zinc/75/36/58/1178753658.db2.gz XPQWNJMTHSHLIT-OKZBNKHCSA-N 2 1 318.509 3.243 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@H]2C1 ZINC001343332698 1179258758 /nfs/dbraw/zinc/25/87/58/1179258758.db2.gz HSFUINUOODWZFX-BZUAXINKSA-N 2 1 324.415 3.450 20 0 DGADMP CCOc1ccc2c(c1)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC001346017358 1179639199 /nfs/dbraw/zinc/63/91/99/1179639199.db2.gz MWMZPHJRGMPRIH-UHFFFAOYSA-N 2 1 302.462 3.223 20 0 DGADMP N[C@H](c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298286 1179889249 /nfs/dbraw/zinc/88/92/49/1179889249.db2.gz CUYUKVGXLOMOIB-CVEARBPZSA-N 2 1 312.417 3.197 20 0 DGADMP N[C@H](c1noc([C@H]2CCCN2C2CCCC2)n1)c1ccccc1 ZINC001349298286 1179889266 /nfs/dbraw/zinc/88/92/66/1179889266.db2.gz CUYUKVGXLOMOIB-CVEARBPZSA-N 2 1 312.417 3.197 20 0 DGADMP CCCc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC001349582222 1179918563 /nfs/dbraw/zinc/91/85/63/1179918563.db2.gz WEZOEEZHPNQQQX-SLFFLAALSA-N 2 1 316.489 3.357 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315771 1180198876 /nfs/dbraw/zinc/19/88/76/1180198876.db2.gz RODHASCBYQUBRW-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC001351315771 1180198882 /nfs/dbraw/zinc/19/88/82/1180198882.db2.gz RODHASCBYQUBRW-QAPCUYQASA-N 2 1 313.420 3.221 20 0 DGADMP Cn1cc(-c2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2)cn1 ZINC001352097965 1180295874 /nfs/dbraw/zinc/29/58/74/1180295874.db2.gz FPPFPOQFNYTXPR-UHFFFAOYSA-N 2 1 324.472 3.194 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001352112393 1180297840 /nfs/dbraw/zinc/29/78/40/1180297840.db2.gz MUUMRJOUNUYFJE-OKZBNKHCSA-N 2 1 302.462 3.247 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ncc(Cl)c3C3CC3)C[C@H]2C1 ZINC001352758709 1180394966 /nfs/dbraw/zinc/39/49/66/1180394966.db2.gz BQHIJUZHDDVWHA-RRFJBIMHSA-N 2 1 322.884 3.034 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC001354137467 1180728570 /nfs/dbraw/zinc/72/85/70/1180728570.db2.gz GYUCBXXTAZMMPL-CQSZACIVSA-N 2 1 321.465 3.463 20 0 DGADMP CCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001200715380 1180848278 /nfs/dbraw/zinc/84/82/78/1180848278.db2.gz YVPDSKGCSHIHAG-RHSMWYFYSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001200715380 1180848285 /nfs/dbraw/zinc/84/82/85/1180848285.db2.gz YVPDSKGCSHIHAG-RHSMWYFYSA-N 2 1 318.490 3.137 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000063917528 1195325310 /nfs/dbraw/zinc/32/53/10/1195325310.db2.gz NGJFAPULSDWNHF-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000063917528 1195325313 /nfs/dbraw/zinc/32/53/13/1195325313.db2.gz NGJFAPULSDWNHF-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC001356070158 1181136202 /nfs/dbraw/zinc/13/62/02/1181136202.db2.gz NFANHCYOWQVDJO-FGTMMUONSA-N 2 1 320.864 3.246 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001459574730 1182594804 /nfs/dbraw/zinc/59/48/04/1182594804.db2.gz PFXYCGBZUVLIGL-ROUUACIJSA-N 2 1 308.510 3.390 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC001459746112 1182612098 /nfs/dbraw/zinc/61/20/98/1182612098.db2.gz CNQPRIZVOYNGDE-RTBURBONSA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC001459746112 1182612099 /nfs/dbraw/zinc/61/20/99/1182612099.db2.gz CNQPRIZVOYNGDE-RTBURBONSA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC001459746112 1182612101 /nfs/dbraw/zinc/61/21/01/1182612101.db2.gz CNQPRIZVOYNGDE-RTBURBONSA-N 2 1 306.494 3.031 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001460803389 1182724810 /nfs/dbraw/zinc/72/48/10/1182724810.db2.gz XPNBXGHZXIZHNR-AUUYWEPGSA-N 2 1 311.404 3.419 20 0 DGADMP CCCCC1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001460915320 1182738845 /nfs/dbraw/zinc/73/88/45/1182738845.db2.gz DPUBXDZDWSDFEW-UHFFFAOYSA-N 2 1 302.462 3.331 20 0 DGADMP CC[C@H]1C[C@H](C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC001461004080 1182754833 /nfs/dbraw/zinc/75/48/33/1182754833.db2.gz FYICZSXIRWXCLM-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001461142151 1182772764 /nfs/dbraw/zinc/77/27/64/1182772764.db2.gz BFSLHYFOGUMLRL-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142151 1182772771 /nfs/dbraw/zinc/77/27/71/1182772771.db2.gz BFSLHYFOGUMLRL-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461142151 1182772779 /nfs/dbraw/zinc/77/27/79/1182772779.db2.gz BFSLHYFOGUMLRL-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001461233706 1182783657 /nfs/dbraw/zinc/78/36/57/1182783657.db2.gz RXELACLJYYCLEF-UHFFFAOYSA-N 2 1 320.868 3.481 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001461258065 1182786989 /nfs/dbraw/zinc/78/69/89/1182786989.db2.gz RVSDFWLNKYBRMC-MSOLQXFVSA-N 2 1 310.445 3.106 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001461425333 1182810335 /nfs/dbraw/zinc/81/03/35/1182810335.db2.gz CZXSHXWQUHUPPG-VXIBKDFQSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001461429246 1182812328 /nfs/dbraw/zinc/81/23/28/1182812328.db2.gz DJUVOSZZIRHBDI-MBOZVWFJSA-N 2 1 316.489 3.169 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001461484619 1182818718 /nfs/dbraw/zinc/81/87/18/1182818718.db2.gz QRDVXCCARGKIDT-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc(F)c(F)c3)CC[C@H]21 ZINC001461868078 1182866493 /nfs/dbraw/zinc/86/64/93/1182866493.db2.gz XSJBCWICESTYAB-MAUKXSAKSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccc(F)c(F)c3)CC[C@H]21 ZINC001461868078 1182866504 /nfs/dbraw/zinc/86/65/04/1182866504.db2.gz XSJBCWICESTYAB-MAUKXSAKSA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccc(F)c(F)c3)CC[C@H]21 ZINC001461868078 1182866512 /nfs/dbraw/zinc/86/65/12/1182866512.db2.gz XSJBCWICESTYAB-MAUKXSAKSA-N 2 1 308.416 3.314 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCCOCc2ccccc2)CC1 ZINC001462139796 1182914339 /nfs/dbraw/zinc/91/43/39/1182914339.db2.gz YOHJIBWSZPYYCL-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP CCNc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001462159266 1182916617 /nfs/dbraw/zinc/91/66/17/1182916617.db2.gz ZIHFXSMCSCEWHD-UHFFFAOYSA-N 2 1 301.478 3.426 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001462222361 1182925208 /nfs/dbraw/zinc/92/52/08/1182925208.db2.gz NIKGMYDOYHHAGZ-JQHSSLGASA-N 2 1 302.462 3.090 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001462222361 1182925214 /nfs/dbraw/zinc/92/52/14/1182925214.db2.gz NIKGMYDOYHHAGZ-JQHSSLGASA-N 2 1 302.462 3.090 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)cccc12 ZINC001462520565 1182963898 /nfs/dbraw/zinc/96/38/98/1182963898.db2.gz FCOCVZASHPWDNL-VQIMIIECSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cccc12 ZINC001462520565 1182963902 /nfs/dbraw/zinc/96/39/02/1182963902.db2.gz FCOCVZASHPWDNL-VQIMIIECSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cccc12 ZINC001462520565 1182963908 /nfs/dbraw/zinc/96/39/08/1182963908.db2.gz FCOCVZASHPWDNL-VQIMIIECSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC001462547301 1182966882 /nfs/dbraw/zinc/96/68/82/1182966882.db2.gz FTUSZCXVXCHPKY-MSOLQXFVSA-N 2 1 321.468 3.397 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC001462597260 1182973647 /nfs/dbraw/zinc/97/36/47/1182973647.db2.gz PMEQYJDUOCWILH-INIZCTEOSA-N 2 1 307.507 3.130 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH+](C)C)CCCC2)cc1Cl ZINC001467659295 1183277463 /nfs/dbraw/zinc/27/74/63/1183277463.db2.gz WFAFREHIXDKMGT-UHFFFAOYSA-N 2 1 323.868 3.215 20 0 DGADMP COC[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001473190265 1183727465 /nfs/dbraw/zinc/72/74/65/1183727465.db2.gz OJZIWRFAUVLYKI-WOJBJXKFSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001473190265 1183727466 /nfs/dbraw/zinc/72/74/66/1183727466.db2.gz OJZIWRFAUVLYKI-WOJBJXKFSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001473190265 1183727467 /nfs/dbraw/zinc/72/74/67/1183727467.db2.gz OJZIWRFAUVLYKI-WOJBJXKFSA-N 2 1 318.505 3.359 20 0 DGADMP OC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCCC1 ZINC001473286674 1183739312 /nfs/dbraw/zinc/73/93/12/1183739312.db2.gz MTQAFBCTDUOION-SJLPKXTDSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCCC1 ZINC001473286674 1183739316 /nfs/dbraw/zinc/73/93/16/1183739316.db2.gz MTQAFBCTDUOION-SJLPKXTDSA-N 2 1 306.494 3.020 20 0 DGADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCCC1 ZINC001473286674 1183739318 /nfs/dbraw/zinc/73/93/18/1183739318.db2.gz MTQAFBCTDUOION-SJLPKXTDSA-N 2 1 306.494 3.020 20 0 DGADMP CN(CC[N@@H+](C)C1CC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473393040 1183751462 /nfs/dbraw/zinc/75/14/62/1183751462.db2.gz BCGHFMWJWJQVSX-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN(CC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC001473393040 1183751465 /nfs/dbraw/zinc/75/14/65/1183751465.db2.gz BCGHFMWJWJQVSX-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN(CC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC001473393040 1183751469 /nfs/dbraw/zinc/75/14/69/1183751469.db2.gz BCGHFMWJWJQVSX-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1nccn1C ZINC001473932227 1183831929 /nfs/dbraw/zinc/83/19/29/1183831929.db2.gz WPFFNUMPODVNMU-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP CO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1Cl ZINC001474045192 1183857678 /nfs/dbraw/zinc/85/76/78/1183857678.db2.gz NWBMJZVKPGUMAR-KRWDZBQOSA-N 2 1 319.836 3.278 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOCc1ccc(Cl)cc1 ZINC001474070923 1183861105 /nfs/dbraw/zinc/86/11/05/1183861105.db2.gz NODNKOIFXGMKBK-UHFFFAOYSA-N 2 1 319.836 3.107 20 0 DGADMP FC1(F)[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC001474259114 1183891541 /nfs/dbraw/zinc/89/15/41/1183891541.db2.gz YWTJQVQQKRONKR-QBPKDAKJSA-N 2 1 306.400 3.252 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](COc3ccccc3)C2)CC1 ZINC001474389635 1183914307 /nfs/dbraw/zinc/91/43/07/1183914307.db2.gz QFDOFOOFBCZTPG-GOSISDBHSA-N 2 1 302.462 3.119 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001474553815 1183939164 /nfs/dbraw/zinc/93/91/64/1183939164.db2.gz XVURGEOUZLIMLB-YWTNHNAXSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001474553815 1183939166 /nfs/dbraw/zinc/93/91/66/1183939166.db2.gz XVURGEOUZLIMLB-YWTNHNAXSA-N 2 1 324.509 3.208 20 0 DGADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc(C)c1O ZINC001474685969 1183961806 /nfs/dbraw/zinc/96/18/06/1183961806.db2.gz IBNIYWPIAXHCPN-INIZCTEOSA-N 2 1 311.429 3.115 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479689092 1184289938 /nfs/dbraw/zinc/28/99/38/1184289938.db2.gz BKDLVWWHIKJBSN-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184466 1193517004 /nfs/dbraw/zinc/51/70/04/1193517004.db2.gz KTNPJUMHKBRFRH-RBUKOAKNSA-N 2 1 318.505 3.434 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184466 1193517007 /nfs/dbraw/zinc/51/70/07/1193517007.db2.gz KTNPJUMHKBRFRH-RBUKOAKNSA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184466 1193517009 /nfs/dbraw/zinc/51/70/09/1193517009.db2.gz KTNPJUMHKBRFRH-RBUKOAKNSA-N 2 1 318.505 3.434 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001615184466 1193517010 /nfs/dbraw/zinc/51/70/10/1193517010.db2.gz KTNPJUMHKBRFRH-RBUKOAKNSA-N 2 1 318.505 3.434 20 0 DGADMP C([C@@H]1CCCC12CCOCC2)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001615543523 1193523885 /nfs/dbraw/zinc/52/38/85/1193523885.db2.gz KVLAQURATYVRFK-OALUTQOASA-N 2 1 320.521 3.391 20 0 DGADMP CC(C)C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001615729186 1193526421 /nfs/dbraw/zinc/52/64/21/1193526421.db2.gz WLINFQSQHJNIAT-FQEVSTJZSA-N 2 1 316.489 3.387 20 0 DGADMP CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001615729186 1193526422 /nfs/dbraw/zinc/52/64/22/1193526422.db2.gz WLINFQSQHJNIAT-FQEVSTJZSA-N 2 1 316.489 3.387 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(F)c(Cl)c2)CC1 ZINC001615790033 1193528617 /nfs/dbraw/zinc/52/86/17/1193528617.db2.gz SFYWRXDIBRAYCU-UHFFFAOYSA-N 2 1 314.832 3.274 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(F)c(Cl)c2)CC1 ZINC001615790033 1193528619 /nfs/dbraw/zinc/52/86/19/1193528619.db2.gz SFYWRXDIBRAYCU-UHFFFAOYSA-N 2 1 314.832 3.274 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001616739239 1193546540 /nfs/dbraw/zinc/54/65/40/1193546540.db2.gz WTJFBIHQLCUXBQ-ROUUACIJSA-N 2 1 306.494 3.373 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001617197872 1193561604 /nfs/dbraw/zinc/56/16/04/1193561604.db2.gz FSYWTPXRRNMBRG-CYBMUJFWSA-N 2 1 314.832 3.274 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001617197872 1193561606 /nfs/dbraw/zinc/56/16/06/1193561606.db2.gz FSYWTPXRRNMBRG-CYBMUJFWSA-N 2 1 314.832 3.274 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087586 1188492538 /nfs/dbraw/zinc/49/25/38/1188492538.db2.gz SPIYVGCXPVDZAN-FXAWDEMLSA-N 2 1 324.472 3.050 20 0 DGADMP c1ccc([C@@H]2C[C@@H]3[C@H](CCC[N@@H+]3CCC3CC[NH2+]CC3)O2)cc1 ZINC001549112969 1188496133 /nfs/dbraw/zinc/49/61/33/1188496133.db2.gz MLWOPQFUFVYSIG-AABGKKOBSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549115723 1188496218 /nfs/dbraw/zinc/49/62/18/1188496218.db2.gz HYFMEYUXUCARMS-IDHHARJASA-N 2 1 311.429 3.463 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549115723 1188496220 /nfs/dbraw/zinc/49/62/20/1188496220.db2.gz HYFMEYUXUCARMS-IDHHARJASA-N 2 1 311.429 3.463 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)o2)cc1 ZINC001549118074 1188496640 /nfs/dbraw/zinc/49/66/40/1188496640.db2.gz VGKJNXDYFUPSCD-APWZRJJASA-N 2 1 311.429 3.211 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)o2)cc1 ZINC001549118074 1188496642 /nfs/dbraw/zinc/49/66/42/1188496642.db2.gz VGKJNXDYFUPSCD-APWZRJJASA-N 2 1 311.429 3.211 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549116805 1188496933 /nfs/dbraw/zinc/49/69/33/1188496933.db2.gz OTIOYMBFCFWPJM-WMLDXEAASA-N 2 1 317.458 3.272 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549116805 1188496935 /nfs/dbraw/zinc/49/69/35/1188496935.db2.gz OTIOYMBFCFWPJM-WMLDXEAASA-N 2 1 317.458 3.272 20 0 DGADMP C[C@]12C[NH2+]C[C@]1(C)C[NH+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC001550174582 1188590180 /nfs/dbraw/zinc/59/01/80/1188590180.db2.gz DCBMWGUJJPQXSS-IYWMVGAKSA-N 2 1 314.473 3.228 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001550174624 1188590215 /nfs/dbraw/zinc/59/02/15/1188590215.db2.gz FAJGLGZPWRXDQB-WCIQWLHISA-N 2 1 314.473 3.358 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C2([C@H]3CCCCO3)CCC2)C1 ZINC001550520997 1188618614 /nfs/dbraw/zinc/61/86/14/1188618614.db2.gz RINWNMLTCNMVMY-OWCLPIDISA-N 2 1 303.450 3.138 20 0 DGADMP Cc1ccc(-c2cc(C[NH+]3C[C@H]4C[N@@H+](C)CC[C@@H]4C3)on2)cc1 ZINC001550541091 1188622352 /nfs/dbraw/zinc/62/23/52/1188622352.db2.gz QIMXEHLYVXGYJS-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cc(C[N@@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)on2)cc1 ZINC001550541091 1188622355 /nfs/dbraw/zinc/62/23/55/1188622355.db2.gz QIMXEHLYVXGYJS-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)on2)cc1 ZINC001550541091 1188622359 /nfs/dbraw/zinc/62/23/59/1188622359.db2.gz QIMXEHLYVXGYJS-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550539910 1188622497 /nfs/dbraw/zinc/62/24/97/1188622497.db2.gz PMXQEWAEVBBKNB-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550539910 1188622500 /nfs/dbraw/zinc/62/25/00/1188622500.db2.gz PMXQEWAEVBBKNB-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550539910 1188622503 /nfs/dbraw/zinc/62/25/03/1188622503.db2.gz PMXQEWAEVBBKNB-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550539910 1188622505 /nfs/dbraw/zinc/62/25/05/1188622505.db2.gz PMXQEWAEVBBKNB-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(C[NH+]2C[C@H]3C[N@H+](C)CC[C@@H]3C2)sc1C(C)(C)C ZINC001550543763 1188622825 /nfs/dbraw/zinc/62/28/25/1188622825.db2.gz WVGUYPYAOOSAPI-ZIAGYGMSSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[NH+]2C[C@H]3C[N@@H+](C)CC[C@@H]3C2)sc1C(C)(C)C ZINC001550543763 1188622827 /nfs/dbraw/zinc/62/28/27/1188622827.db2.gz WVGUYPYAOOSAPI-ZIAGYGMSSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)sc1C(C)(C)C ZINC001550543763 1188622830 /nfs/dbraw/zinc/62/28/30/1188622830.db2.gz WVGUYPYAOOSAPI-ZIAGYGMSSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)sc1C(C)(C)C ZINC001550543763 1188622832 /nfs/dbraw/zinc/62/28/32/1188622832.db2.gz WVGUYPYAOOSAPI-ZIAGYGMSSA-N 2 1 307.507 3.133 20 0 DGADMP O[C@]1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC2CCC1CC2 ZINC001551377045 1188732194 /nfs/dbraw/zinc/73/21/94/1188732194.db2.gz BDJVTXNMHVJUPY-SAETXWKOSA-N 2 1 314.473 3.011 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCC2 ZINC001552080780 1188816656 /nfs/dbraw/zinc/81/66/56/1188816656.db2.gz VGMCJBNYYYWZBI-VINWQNLFSA-N 2 1 314.473 3.273 20 0 DGADMP Cc1ccccc1[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001552210644 1188825605 /nfs/dbraw/zinc/82/56/05/1188825605.db2.gz JZZZHUBWGKIUFV-HOJAQTOUSA-N 2 1 314.473 3.084 20 0 DGADMP C[C@H](O)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001552215938 1188825632 /nfs/dbraw/zinc/82/56/32/1188825632.db2.gz QGFSGUJRPYKDAJ-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)[C@H]2CCC[NH2+][C@H]21 ZINC001553021927 1188890731 /nfs/dbraw/zinc/89/07/31/1188890731.db2.gz AKUWUSILCWJEHZ-RRFJBIMHSA-N 2 1 310.388 3.154 20 0 DGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC001553023499 1188890788 /nfs/dbraw/zinc/89/07/88/1188890788.db2.gz QUEVSGFZFYOCIZ-UAGQMJEPSA-N 2 1 324.415 3.197 20 0 DGADMP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001553025811 1188891161 /nfs/dbraw/zinc/89/11/61/1188891161.db2.gz PBDZUBQFWRVGDB-QRVBRYPASA-N 3 1 319.537 3.199 20 0 DGADMP C[N@@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[C@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103533 1188898458 /nfs/dbraw/zinc/89/84/58/1188898458.db2.gz DENXWYLDLPAULH-BTHPGYMESA-N 2 1 314.473 3.323 20 0 DGADMP C[N@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[C@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103533 1188898462 /nfs/dbraw/zinc/89/84/62/1188898462.db2.gz DENXWYLDLPAULH-BTHPGYMESA-N 2 1 314.473 3.323 20 0 DGADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+](CC)CC ZINC001557982934 1189096207 /nfs/dbraw/zinc/09/62/07/1189096207.db2.gz WWIMCNMJIVVGPX-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCC[C@@H]1CS[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001559429447 1189204266 /nfs/dbraw/zinc/20/42/66/1189204266.db2.gz TUPJKDZZJJLDFO-MSOLQXFVSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@@H]1CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001559429447 1189204271 /nfs/dbraw/zinc/20/42/71/1189204271.db2.gz TUPJKDZZJJLDFO-MSOLQXFVSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@@H]1CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559429447 1189204276 /nfs/dbraw/zinc/20/42/76/1189204276.db2.gz TUPJKDZZJJLDFO-MSOLQXFVSA-N 2 1 304.503 3.478 20 0 DGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001559566889 1189218457 /nfs/dbraw/zinc/21/84/57/1189218457.db2.gz QFKZDVZQIGYIJM-PMACEKPBSA-N 2 1 315.505 3.240 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001559659900 1189228688 /nfs/dbraw/zinc/22/86/88/1189228688.db2.gz DMWWZNZRXSTSFA-HSALFYBXSA-N 2 1 322.537 3.493 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CC3(CO1)CCCCC3)CC2 ZINC001559678552 1189230718 /nfs/dbraw/zinc/23/07/18/1189230718.db2.gz XQUWFMHZCWVLJQ-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CC3(CO1)CCCCC3)CC2 ZINC001559678552 1189230723 /nfs/dbraw/zinc/23/07/23/1189230723.db2.gz XQUWFMHZCWVLJQ-QGZVFWFLSA-N 2 1 306.494 3.286 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696354 1189231390 /nfs/dbraw/zinc/23/13/90/1189231390.db2.gz VSAQSOWRFRSTPH-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CCOCC1 ZINC001559726452 1189234744 /nfs/dbraw/zinc/23/47/44/1189234744.db2.gz RKHXXJSLQLGOLZ-YRWFTTLQSA-N 2 1 316.489 3.159 20 0 DGADMP C[C@@H]1C[N@@H+](CCc2ccccc2Cl)CCN1c1cc[nH+]cc1 ZINC001560108395 1189279660 /nfs/dbraw/zinc/27/96/60/1189279660.db2.gz BDCCOGSHOVXKBQ-OAHLLOKOSA-N 2 1 315.848 3.488 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117833 1189281142 /nfs/dbraw/zinc/28/11/42/1189281142.db2.gz IORHKSQNHTZHPG-DLBZAZTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117833 1189281147 /nfs/dbraw/zinc/28/11/47/1189281147.db2.gz IORHKSQNHTZHPG-DLBZAZTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117833 1189281151 /nfs/dbraw/zinc/28/11/51/1189281151.db2.gz IORHKSQNHTZHPG-DLBZAZTESA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001560117833 1189281155 /nfs/dbraw/zinc/28/11/55/1189281155.db2.gz IORHKSQNHTZHPG-DLBZAZTESA-N 2 1 324.896 3.221 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001560291354 1189306604 /nfs/dbraw/zinc/30/66/04/1189306604.db2.gz NEUCQFGJNUAIHT-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001560291354 1189306607 /nfs/dbraw/zinc/30/66/07/1189306607.db2.gz NEUCQFGJNUAIHT-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001560291354 1189306610 /nfs/dbraw/zinc/30/66/10/1189306610.db2.gz NEUCQFGJNUAIHT-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001560291354 1189306613 /nfs/dbraw/zinc/30/66/13/1189306613.db2.gz NEUCQFGJNUAIHT-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC001560291354 1189306616 /nfs/dbraw/zinc/30/66/16/1189306616.db2.gz NEUCQFGJNUAIHT-GGPKGHCWSA-N 2 1 315.505 3.143 20 0 DGADMP CC[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001560320200 1189310783 /nfs/dbraw/zinc/31/07/83/1189310783.db2.gz QQAZKLNTXMSHGM-LJQANCHMSA-N 2 1 317.521 3.043 20 0 DGADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC001560368067 1189319353 /nfs/dbraw/zinc/31/93/53/1189319353.db2.gz DJARXCZDAULLCL-CQSZACIVSA-N 2 1 319.474 3.243 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001560546617 1189338069 /nfs/dbraw/zinc/33/80/69/1189338069.db2.gz BTUPJXWGGSHBTA-CYBMUJFWSA-N 2 1 320.868 3.264 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638123 1189354626 /nfs/dbraw/zinc/35/46/26/1189354626.db2.gz ANMNDQLYKJYSQA-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638123 1189354631 /nfs/dbraw/zinc/35/46/31/1189354631.db2.gz ANMNDQLYKJYSQA-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638123 1189354636 /nfs/dbraw/zinc/35/46/36/1189354636.db2.gz ANMNDQLYKJYSQA-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001560638123 1189354642 /nfs/dbraw/zinc/35/46/42/1189354642.db2.gz ANMNDQLYKJYSQA-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC001560657474 1189355047 /nfs/dbraw/zinc/35/50/47/1189355047.db2.gz NZGUJQDORMRMQS-JENIJYKNSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC001560657474 1189355048 /nfs/dbraw/zinc/35/50/48/1189355048.db2.gz NZGUJQDORMRMQS-JENIJYKNSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC001560657474 1189355052 /nfs/dbraw/zinc/35/50/52/1189355052.db2.gz NZGUJQDORMRMQS-JENIJYKNSA-N 2 1 308.510 3.388 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC001560852896 1189394885 /nfs/dbraw/zinc/39/48/85/1189394885.db2.gz UYXSWKIDXRNPLC-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001560852896 1189394887 /nfs/dbraw/zinc/39/48/87/1189394887.db2.gz UYXSWKIDXRNPLC-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC001560852896 1189394892 /nfs/dbraw/zinc/39/48/92/1189394892.db2.gz UYXSWKIDXRNPLC-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC001560852895 1189395184 /nfs/dbraw/zinc/39/51/84/1189395184.db2.gz UYXSWKIDXRNPLC-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001560852895 1189395190 /nfs/dbraw/zinc/39/51/90/1189395190.db2.gz UYXSWKIDXRNPLC-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC001560852895 1189395195 /nfs/dbraw/zinc/39/51/95/1189395195.db2.gz UYXSWKIDXRNPLC-GOSISDBHSA-N 2 1 320.502 3.205 20 0 DGADMP CC1(C)CC[N@@H+](Cc2cccc3c2NCCC3)CC(C)(C)[NH2+]1 ZINC001561051689 1189428359 /nfs/dbraw/zinc/42/83/59/1189428359.db2.gz FYYNUZVWAXNPAI-UHFFFAOYSA-N 2 1 301.478 3.397 20 0 DGADMP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001568651365 1190573734 /nfs/dbraw/zinc/57/37/34/1190573734.db2.gz PFCNDRKNFANESF-MRXNPFEDSA-N 2 1 323.525 3.090 20 0 DGADMP CC(C)(C[NH+]1CCC([NH2+]CC2CC2)CC1)Oc1ccccc1 ZINC001575318645 1191475356 /nfs/dbraw/zinc/47/53/56/1191475356.db2.gz XDQDPMNMHALNPS-UHFFFAOYSA-N 2 1 302.462 3.308 20 0 DGADMP CC(C)[C@H]1[NH2+]CC12CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001575523795 1191488920 /nfs/dbraw/zinc/48/89/20/1191488920.db2.gz SPDFWYXGRRYMFE-MRXNPFEDSA-N 2 1 312.379 3.314 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3=CC[C@H]([NH3+])C3)c2C1 ZINC001575574486 1191493554 /nfs/dbraw/zinc/49/35/54/1191493554.db2.gz LWWSZFUEIWXNRH-INIZCTEOSA-N 2 1 313.445 3.034 20 0 DGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3=CC[C@@H]([NH3+])C3)c2C1 ZINC001575574487 1191493942 /nfs/dbraw/zinc/49/39/42/1191493942.db2.gz LWWSZFUEIWXNRH-MRXNPFEDSA-N 2 1 313.445 3.034 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001575699965 1191504012 /nfs/dbraw/zinc/50/40/12/1191504012.db2.gz LFSZEFARUMARRM-ZWKOTPCHSA-N 2 1 307.526 3.233 20 0 DGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccnc2Br)cc1 ZINC001576168392 1191535276 /nfs/dbraw/zinc/53/52/76/1191535276.db2.gz KNUUNXVREUPMGN-LLVKDONJSA-N 2 1 320.234 3.154 20 0 DGADMP CC(C)c1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC001618334500 1193734325 /nfs/dbraw/zinc/73/43/25/1193734325.db2.gz URAQCCKYQQEKBB-UHFFFAOYSA-N 2 1 305.510 3.125 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC001620594114 1193781928 /nfs/dbraw/zinc/78/19/28/1193781928.db2.gz HQAZMOQGRDIOEH-CABCVRRESA-N 2 1 309.404 3.418 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(Cl)cc2c1OCC2)C[NH+]1CCCCC1 ZINC001620736856 1193796710 /nfs/dbraw/zinc/79/67/10/1193796710.db2.gz HIKNIDDPPZZBTC-CQSZACIVSA-N 2 1 322.880 3.487 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000042427390 1194174164 /nfs/dbraw/zinc/17/41/64/1194174164.db2.gz UXKHVEZHSYGSHW-DGCLKSJQSA-N 2 1 302.340 3.144 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000042427391 1194174405 /nfs/dbraw/zinc/17/44/05/1194174405.db2.gz UXKHVEZHSYGSHW-WCQYABFASA-N 2 1 302.340 3.144 20 0 DGADMP CCc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc(CC)n1 ZINC001640185698 1194800266 /nfs/dbraw/zinc/80/02/66/1194800266.db2.gz LOIBWDPKQLCDJD-KRWDZBQOSA-N 2 1 310.445 3.288 20 0 DGADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC001643599278 1195037754 /nfs/dbraw/zinc/03/77/54/1195037754.db2.gz KMHNICRCARWJKA-FQEVSTJZSA-N 2 1 316.489 3.233 20 0 DGADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC001643599278 1195037758 /nfs/dbraw/zinc/03/77/58/1195037758.db2.gz KMHNICRCARWJKA-FQEVSTJZSA-N 2 1 316.489 3.233 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001644041603 1195075806 /nfs/dbraw/zinc/07/58/06/1195075806.db2.gz FWAYHRXVTPBSHJ-BGYRXZFFSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001644041603 1195075809 /nfs/dbraw/zinc/07/58/09/1195075809.db2.gz FWAYHRXVTPBSHJ-BGYRXZFFSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001644041603 1195075813 /nfs/dbraw/zinc/07/58/13/1195075813.db2.gz FWAYHRXVTPBSHJ-BGYRXZFFSA-N 2 1 316.489 3.346 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001644041603 1195075817 /nfs/dbraw/zinc/07/58/17/1195075817.db2.gz FWAYHRXVTPBSHJ-BGYRXZFFSA-N 2 1 316.489 3.346 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543533 1195115586 /nfs/dbraw/zinc/11/55/86/1195115586.db2.gz KPXMJHYYYGPHCZ-XLIONFOSSA-N 2 1 312.457 3.336 20 0 DGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc2ccccc21 ZINC001644543533 1195115592 /nfs/dbraw/zinc/11/55/92/1195115592.db2.gz KPXMJHYYYGPHCZ-XLIONFOSSA-N 2 1 312.457 3.336 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C)nn1 ZINC001648027663 1195271542 /nfs/dbraw/zinc/27/15/42/1195271542.db2.gz VAXOJIKYXYFGJT-IBGZPJMESA-N 2 1 316.493 3.180 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C)nn1 ZINC001648027663 1195271545 /nfs/dbraw/zinc/27/15/45/1195271545.db2.gz VAXOJIKYXYFGJT-IBGZPJMESA-N 2 1 316.493 3.180 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(SC)c(OC)c2)CC1 ZINC000063903396 1195324129 /nfs/dbraw/zinc/32/41/29/1195324129.db2.gz YSZJWGSJSFSVQG-UHFFFAOYSA-N 2 1 308.491 3.381 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001648779524 1195331403 /nfs/dbraw/zinc/33/14/03/1195331403.db2.gz DSISAKZDWCGGAW-UHFFFAOYSA-N 2 1 324.538 3.262 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]CCC[N@H+](C)C(C)C ZINC001648779524 1195331406 /nfs/dbraw/zinc/33/14/06/1195331406.db2.gz DSISAKZDWCGGAW-UHFFFAOYSA-N 2 1 324.538 3.262 20 0 DGADMP Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH+]ccc3N(C)C)C2)cc1 ZINC001650580245 1195363844 /nfs/dbraw/zinc/36/38/44/1195363844.db2.gz YEEBDSBTMXINFB-GOSISDBHSA-N 2 1 324.472 3.215 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001650630365 1195366993 /nfs/dbraw/zinc/36/69/93/1195366993.db2.gz MZLDOTBPYMUQSW-BZSNNMDCSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001650630365 1195367002 /nfs/dbraw/zinc/36/70/02/1195367002.db2.gz MZLDOTBPYMUQSW-BZSNNMDCSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]1CC[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC001651178536 1195423460 /nfs/dbraw/zinc/42/34/60/1195423460.db2.gz FNQUGHFJECDYJE-WMZOPIPTSA-N 2 1 304.478 3.302 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1C ZINC001651226958 1195429235 /nfs/dbraw/zinc/42/92/35/1195429235.db2.gz DPSVMTAKEZKQKV-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1C ZINC001651226958 1195429247 /nfs/dbraw/zinc/42/92/47/1195429247.db2.gz DPSVMTAKEZKQKV-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1C[C@@]1(C)Br ZINC001652391722 1195591291 /nfs/dbraw/zinc/59/12/91/1195591291.db2.gz RZIYRPUFTIPSIX-ZIAGYGMSSA-N 2 1 305.304 3.214 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1C[C@@]1(C)Br ZINC001652391722 1195591295 /nfs/dbraw/zinc/59/12/95/1195591295.db2.gz RZIYRPUFTIPSIX-ZIAGYGMSSA-N 2 1 305.304 3.214 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3scnc3c2)C1 ZINC001652399840 1195591648 /nfs/dbraw/zinc/59/16/48/1195591648.db2.gz JZRNGBCQCJUJEY-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399840 1195591650 /nfs/dbraw/zinc/59/16/50/1195591650.db2.gz JZRNGBCQCJUJEY-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399840 1195591654 /nfs/dbraw/zinc/59/16/54/1195591654.db2.gz JZRNGBCQCJUJEY-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP CC[NH+](CC)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000067227086 1195607164 /nfs/dbraw/zinc/60/71/64/1195607164.db2.gz STGYRPKSIZFVKQ-UHFFFAOYSA-N 2 1 305.466 3.013 20 0 DGADMP CCOC(=O)[C@]12CCC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C2 ZINC001652767020 1195649225 /nfs/dbraw/zinc/64/92/25/1195649225.db2.gz DXSIHSWMUNMJBB-SCTDSRPQSA-N 2 1 324.509 3.066 20 0 DGADMP C[C@H](Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12)C1CC1 ZINC001653260783 1195704914 /nfs/dbraw/zinc/70/49/14/1195704914.db2.gz ZBQWMGQYFMAMAH-AWEZNQCLSA-N 2 1 310.445 3.197 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC4(CO3)CCCCC4)CC[C@H]21 ZINC001653554381 1195733559 /nfs/dbraw/zinc/73/35/59/1195733559.db2.gz WDJSPAWSINNZAY-KZNAEPCWSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC4(CO3)CCCCC4)CC[C@H]21 ZINC001653554381 1195733562 /nfs/dbraw/zinc/73/35/62/1195733562.db2.gz WDJSPAWSINNZAY-KZNAEPCWSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CCCCC4)CC[C@H]21 ZINC001653554381 1195733564 /nfs/dbraw/zinc/73/35/64/1195733564.db2.gz WDJSPAWSINNZAY-KZNAEPCWSA-N 2 1 306.494 3.142 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001654099994 1195775370 /nfs/dbraw/zinc/77/53/70/1195775370.db2.gz VEJKBKHYWWPBNC-DOTOQJQBSA-N 2 1 302.462 3.438 20 0 DGADMP CC[C@H]1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)[C@H]1C ZINC001654217959 1195785409 /nfs/dbraw/zinc/78/54/09/1195785409.db2.gz ICSDHRCLEZZIBA-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP COC(=O)C(C)(C)C[N@H+](CCCCn1cc[nH+]c1C)CC(C)C ZINC001654644843 1195826293 /nfs/dbraw/zinc/82/62/93/1195826293.db2.gz QVDUGPTUZLQJEY-UHFFFAOYSA-N 2 1 323.481 3.129 20 0 DGADMP COC(=O)C(C)(C)C[N@@H+](CCCCn1cc[nH+]c1C)CC(C)C ZINC001654644843 1195826296 /nfs/dbraw/zinc/82/62/96/1195826296.db2.gz QVDUGPTUZLQJEY-UHFFFAOYSA-N 2 1 323.481 3.129 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CCC[NH+]3CCCC3)s2)o1 ZINC001655211059 1195891627 /nfs/dbraw/zinc/89/16/27/1195891627.db2.gz PLXUXQPEUTUVBX-UHFFFAOYSA-N 2 1 305.447 3.287 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001655277798 1195899011 /nfs/dbraw/zinc/89/90/11/1195899011.db2.gz GTOOOMKDFOVONI-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001655277798 1195899014 /nfs/dbraw/zinc/89/90/14/1195899014.db2.gz GTOOOMKDFOVONI-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001655277798 1195899019 /nfs/dbraw/zinc/89/90/19/1195899019.db2.gz GTOOOMKDFOVONI-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001655277798 1195899025 /nfs/dbraw/zinc/89/90/25/1195899025.db2.gz GTOOOMKDFOVONI-YUELXQCFSA-N 2 1 323.278 3.394 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001655724813 1195956611 /nfs/dbraw/zinc/95/66/11/1195956611.db2.gz IOGLAZRDCZZRSG-IEBWSBKVSA-N 2 1 312.461 3.143 20 0 DGADMP CN(C)c1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC001655742702 1195959001 /nfs/dbraw/zinc/95/90/01/1195959001.db2.gz SLKQCMSFDMELEG-UHFFFAOYSA-N 2 1 322.522 3.096 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC001656395665 1196036389 /nfs/dbraw/zinc/03/63/89/1196036389.db2.gz VHKMLIASSIGRER-INDMIFKZSA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC001656395665 1196036392 /nfs/dbraw/zinc/03/63/92/1196036392.db2.gz VHKMLIASSIGRER-INDMIFKZSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)CC2 ZINC001656570117 1196050494 /nfs/dbraw/zinc/05/04/94/1196050494.db2.gz XZYTYLCJZPCLKY-GOSISDBHSA-N 2 1 304.478 3.120 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001656794833 1196071777 /nfs/dbraw/zinc/07/17/77/1196071777.db2.gz LBAKBICCHZXZEF-QGZVFWFLSA-N 2 1 303.494 3.354 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC001656999222 1196091851 /nfs/dbraw/zinc/09/18/51/1196091851.db2.gz VUUIACCTNOLKKT-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001657056913 1196098633 /nfs/dbraw/zinc/09/86/33/1196098633.db2.gz MBYGMDQQZCGKCI-BBWFWOEESA-N 2 1 312.498 3.208 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001657056913 1196098635 /nfs/dbraw/zinc/09/86/35/1196098635.db2.gz MBYGMDQQZCGKCI-BBWFWOEESA-N 2 1 312.498 3.208 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001657057187 1196098854 /nfs/dbraw/zinc/09/88/54/1196098854.db2.gz ROTAYUXXOZBOLN-DOTOQJQBSA-N 2 1 304.478 3.263 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001657057187 1196098856 /nfs/dbraw/zinc/09/88/56/1196098856.db2.gz ROTAYUXXOZBOLN-DOTOQJQBSA-N 2 1 304.478 3.263 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159832 1196113261 /nfs/dbraw/zinc/11/32/61/1196113261.db2.gz VYIYCAQZJCOODR-IMJJTQAJSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1N(C)C ZINC001657159832 1196113264 /nfs/dbraw/zinc/11/32/64/1196113264.db2.gz VYIYCAQZJCOODR-IMJJTQAJSA-N 2 1 305.441 3.169 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218824 1196119961 /nfs/dbraw/zinc/11/99/61/1196119961.db2.gz CWLPLSPKIGPBBU-WMLDXEAASA-N 2 1 307.457 3.054 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218824 1196119964 /nfs/dbraw/zinc/11/99/64/1196119964.db2.gz CWLPLSPKIGPBBU-WMLDXEAASA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218824 1196119966 /nfs/dbraw/zinc/11/99/66/1196119966.db2.gz CWLPLSPKIGPBBU-WMLDXEAASA-N 2 1 307.457 3.054 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)[C@@H](C)C1 ZINC001657218824 1196119968 /nfs/dbraw/zinc/11/99/68/1196119968.db2.gz CWLPLSPKIGPBBU-WMLDXEAASA-N 2 1 307.457 3.054 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC001657550588 1196153838 /nfs/dbraw/zinc/15/38/38/1196153838.db2.gz XRWUSSBSMYPKLB-INIZCTEOSA-N 2 1 304.478 3.480 20 0 DGADMP CCOc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1OC ZINC001657769145 1196177053 /nfs/dbraw/zinc/17/70/53/1196177053.db2.gz WEGNXHQPDBCKCG-MRXNPFEDSA-N 2 1 320.477 3.448 20 0 DGADMP Fc1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1OC(F)F ZINC001658102854 1196212333 /nfs/dbraw/zinc/21/23/33/1196212333.db2.gz XKZGFGGHHSUTJC-UHFFFAOYSA-N 2 1 321.302 3.365 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001658487326 1196262918 /nfs/dbraw/zinc/26/29/18/1196262918.db2.gz ZGRTVSQQUJZTGL-WMZOPIPTSA-N 2 1 304.478 3.194 20 0 DGADMP CCO[C@H](C[NH2+]Cc1ccccc1-c1ccccc1)C[NH+](C)C ZINC001658578297 1196275879 /nfs/dbraw/zinc/27/58/79/1196275879.db2.gz XPDNKOVDUGZVCU-LJQANCHMSA-N 2 1 312.457 3.410 20 0 DGADMP CC(C)C1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001658586502 1196277054 /nfs/dbraw/zinc/27/70/54/1196277054.db2.gz PMWFNWGPLRRDAZ-IBGZPJMESA-N 2 1 316.489 3.169 20 0 DGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001658697345 1196289101 /nfs/dbraw/zinc/28/91/01/1196289101.db2.gz XCJBKJYROQPZME-MOPGFXCFSA-N 2 1 310.526 3.493 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC001658785837 1196300839 /nfs/dbraw/zinc/30/08/39/1196300839.db2.gz FBKTVANWRXVXEL-MRXNPFEDSA-N 2 1 314.477 3.391 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2nccc3c2CCCC3)CCN1c1cc[nH+]cc1 ZINC001658807048 1196303166 /nfs/dbraw/zinc/30/31/66/1196303166.db2.gz WDOLQWJGYCSOCC-MRXNPFEDSA-N 2 1 322.456 3.066 20 0 DGADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)c1 ZINC001658806653 1196303633 /nfs/dbraw/zinc/30/36/33/1196303633.db2.gz QTQGUJGXKGPQQS-MRXNPFEDSA-N 2 1 311.429 3.109 20 0 DGADMP CCO[C@H](C[NH2+][C@@H](CC)Cc1ccc(Cl)cc1)C[NH+](C)C ZINC001658880084 1196313677 /nfs/dbraw/zinc/31/36/77/1196313677.db2.gz NJZSSDGEMQLEOZ-DLBZAZTESA-N 2 1 312.885 3.217 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001658898948 1196316629 /nfs/dbraw/zinc/31/66/29/1196316629.db2.gz BTHSBMMBBYHZGN-OYHNWAKOSA-N 2 1 322.518 3.149 20 0 DGADMP CC[N@@H+]1CCC[C@@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000397 1196331403 /nfs/dbraw/zinc/33/14/03/1196331403.db2.gz ANSNUGPIYVHIDZ-IAGOWNOFSA-N 2 1 309.885 3.017 20 0 DGADMP CC[N@H+]1CCC[C@@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001659000397 1196331406 /nfs/dbraw/zinc/33/14/06/1196331406.db2.gz ANSNUGPIYVHIDZ-IAGOWNOFSA-N 2 1 309.885 3.017 20 0 DGADMP FC(F)n1cccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001659055152 1196337913 /nfs/dbraw/zinc/33/79/13/1196337913.db2.gz SIBNFQKPPBUXRP-MRXNPFEDSA-N 2 1 319.399 3.495 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C2 ZINC001659110531 1196347200 /nfs/dbraw/zinc/34/72/00/1196347200.db2.gz ZQWUYBCXHMQURP-WMZOPIPTSA-N 2 1 316.489 3.263 20 0 DGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001659438511 1196383292 /nfs/dbraw/zinc/38/32/92/1196383292.db2.gz QVKFAAQNGPPLRN-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001659438511 1196383294 /nfs/dbraw/zinc/38/32/94/1196383294.db2.gz QVKFAAQNGPPLRN-QZTJIDSGSA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001659666081 1196404838 /nfs/dbraw/zinc/40/48/38/1196404838.db2.gz JXXGZDAQZIAOPT-CYBMUJFWSA-N 2 1 318.383 3.448 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc2nsnc21 ZINC001659734152 1196409389 /nfs/dbraw/zinc/40/93/89/1196409389.db2.gz RZIBWTBCVMQGOZ-CZUORRHYSA-N 2 1 318.490 3.244 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc2nsnc21 ZINC001659734152 1196409395 /nfs/dbraw/zinc/40/93/95/1196409395.db2.gz RZIBWTBCVMQGOZ-CZUORRHYSA-N 2 1 318.490 3.244 20 0 DGADMP COc1cc(C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)ccn1 ZINC001659847282 1196421566 /nfs/dbraw/zinc/42/15/66/1196421566.db2.gz XJEFJMTZJWTSKH-WMZOPIPTSA-N 2 1 319.493 3.121 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001659917556 1196428776 /nfs/dbraw/zinc/42/87/76/1196428776.db2.gz CUIFDTMPCNYANN-YVWKXTFCSA-N 2 1 307.441 3.396 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CC[N@@H+]2CCCC2(C)C)cc1F ZINC001660011598 1196437612 /nfs/dbraw/zinc/43/76/12/1196437612.db2.gz ZDKACSKRJWCLDB-HNNXBMFYSA-N 2 1 322.468 3.477 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]CC[N@H+]2CCCC2(C)C)cc1F ZINC001660011598 1196437616 /nfs/dbraw/zinc/43/76/16/1196437616.db2.gz ZDKACSKRJWCLDB-HNNXBMFYSA-N 2 1 322.468 3.477 20 0 DGADMP FC(F)(F)Oc1cccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000076396902 1196478033 /nfs/dbraw/zinc/47/80/33/1196478033.db2.gz RJWKKWMLXYDZOK-HUUCEWRRSA-N 2 1 314.351 3.302 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001660859338 1196536472 /nfs/dbraw/zinc/53/64/72/1196536472.db2.gz KKICJXSHZCTKRT-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001660886958 1196538864 /nfs/dbraw/zinc/53/88/64/1196538864.db2.gz OGLZWXJOMMNOBY-IPMKNSEASA-N 2 1 316.489 3.420 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC001660949667 1196545761 /nfs/dbraw/zinc/54/57/61/1196545761.db2.gz YKXMRBVKWVHXHL-ZHRRBRCNSA-N 2 1 322.518 3.168 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001661183662 1196576977 /nfs/dbraw/zinc/57/69/77/1196576977.db2.gz HFGSUDKJAQYDAK-SJLPKXTDSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnn(C)c1 ZINC000077434308 1196595439 /nfs/dbraw/zinc/59/54/39/1196595439.db2.gz XHCRSEKYJDKTPI-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001661403074 1196602038 /nfs/dbraw/zinc/60/20/38/1196602038.db2.gz XFEGOLBVFCRCNH-GOSISDBHSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001661463787 1196608426 /nfs/dbraw/zinc/60/84/26/1196608426.db2.gz MAMPXKNMOBESTM-GJYPPUQNSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662187287 1196691845 /nfs/dbraw/zinc/69/18/45/1196691845.db2.gz DRXWSWAMMLZJHN-ZBFHGGJFSA-N 2 1 316.445 3.158 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662187287 1196691848 /nfs/dbraw/zinc/69/18/48/1196691848.db2.gz DRXWSWAMMLZJHN-ZBFHGGJFSA-N 2 1 316.445 3.158 20 0 DGADMP CCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001662511899 1196727067 /nfs/dbraw/zinc/72/70/67/1196727067.db2.gz CJSOHNLZPJNFJR-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)[C@H]2C1 ZINC001663489207 1196885366 /nfs/dbraw/zinc/88/53/66/1196885366.db2.gz MTWIVYCBUYBCQC-FPMFFAJLSA-N 2 1 321.877 3.380 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001664475092 1197004168 /nfs/dbraw/zinc/00/41/68/1197004168.db2.gz SIURZFAPFIMANG-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001664475092 1197004171 /nfs/dbraw/zinc/00/41/71/1197004171.db2.gz SIURZFAPFIMANG-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[C@@H](Cc1ccno1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001664515119 1197008101 /nfs/dbraw/zinc/00/81/01/1197008101.db2.gz UYQUOUNIRUOCLC-QFBILLFUSA-N 2 1 313.445 3.107 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC001664611212 1197021142 /nfs/dbraw/zinc/02/11/42/1197021142.db2.gz GMPOQJXWXFEEPS-RTBURBONSA-N 2 1 308.510 3.245 20 0 DGADMP CSCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC001664618937 1197022243 /nfs/dbraw/zinc/02/22/43/1197022243.db2.gz VVOGBZQGNZIYQT-MSOLQXFVSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC001664618937 1197022246 /nfs/dbraw/zinc/02/22/46/1197022246.db2.gz VVOGBZQGNZIYQT-MSOLQXFVSA-N 2 1 304.503 3.466 20 0 DGADMP CSCc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC001664618937 1197022249 /nfs/dbraw/zinc/02/22/49/1197022249.db2.gz VVOGBZQGNZIYQT-MSOLQXFVSA-N 2 1 304.503 3.466 20 0 DGADMP Nc1ncccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001664931033 1197079520 /nfs/dbraw/zinc/07/95/20/1197079520.db2.gz HRAALVHAWPHWPR-SFHVURJKSA-N 2 1 324.472 3.056 20 0 DGADMP Nc1ncccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001664931033 1197079525 /nfs/dbraw/zinc/07/95/25/1197079525.db2.gz HRAALVHAWPHWPR-SFHVURJKSA-N 2 1 324.472 3.056 20 0 DGADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001664984285 1197084042 /nfs/dbraw/zinc/08/40/42/1197084042.db2.gz UPFSUPJQQMWIAH-NVXWUHKLSA-N 2 1 302.462 3.090 20 0 DGADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001664984285 1197084044 /nfs/dbraw/zinc/08/40/44/1197084044.db2.gz UPFSUPJQQMWIAH-NVXWUHKLSA-N 2 1 302.462 3.090 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC000321622374 1197685666 /nfs/dbraw/zinc/68/56/66/1197685666.db2.gz IBCJJTXZQAWWKN-OAHLLOKOSA-N 2 1 310.441 3.361 20 0 DGADMP CCc1cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000379682120 1197704003 /nfs/dbraw/zinc/70/40/03/1197704003.db2.gz VWCFWHKKHQSAEX-HNNXBMFYSA-N 2 1 312.461 3.092 20 0 DGADMP CCc1cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000379682120 1197704007 /nfs/dbraw/zinc/70/40/07/1197704007.db2.gz VWCFWHKKHQSAEX-HNNXBMFYSA-N 2 1 312.461 3.092 20 0 DGADMP c1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000380955255 1197704043 /nfs/dbraw/zinc/70/40/43/1197704043.db2.gz UCULWDHOINLFHT-MRXNPFEDSA-N 2 1 301.459 3.145 20 0 DGADMP c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000380955255 1197704046 /nfs/dbraw/zinc/70/40/46/1197704046.db2.gz UCULWDHOINLFHT-MRXNPFEDSA-N 2 1 301.459 3.145 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000390773261 1197713933 /nfs/dbraw/zinc/71/39/33/1197713933.db2.gz KYMOUTLCMMZAAZ-PMACEKPBSA-N 2 1 316.489 3.444 20 0 DGADMP CCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001674939439 1197928139 /nfs/dbraw/zinc/92/81/39/1197928139.db2.gz VKZDFOUKBJIGMX-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001674939439 1197928144 /nfs/dbraw/zinc/92/81/44/1197928144.db2.gz VKZDFOUKBJIGMX-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001674939439 1197928147 /nfs/dbraw/zinc/92/81/47/1197928147.db2.gz VKZDFOUKBJIGMX-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@](C)(CO)C1 ZINC000093340991 1198680458 /nfs/dbraw/zinc/68/04/58/1198680458.db2.gz BYUJACZOKNKNDV-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC000093340991 1198680460 /nfs/dbraw/zinc/68/04/60/1198680460.db2.gz BYUJACZOKNKNDV-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@](C)(CO)C1 ZINC000093340991 1198680463 /nfs/dbraw/zinc/68/04/63/1198680463.db2.gz BYUJACZOKNKNDV-HXUWFJFHSA-N 2 1 318.505 3.239 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000120823880 1198735162 /nfs/dbraw/zinc/73/51/62/1198735162.db2.gz NQSCDXORPVJILO-MRXNPFEDSA-N 2 1 308.441 3.292 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000120823880 1198735166 /nfs/dbraw/zinc/73/51/66/1198735166.db2.gz NQSCDXORPVJILO-MRXNPFEDSA-N 2 1 308.441 3.292 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nn(C)c2Cl)c1 ZINC000105449302 1199541348 /nfs/dbraw/zinc/54/13/48/1199541348.db2.gz AODXRQJBWUAOJV-UHFFFAOYSA-N 2 1 320.868 3.123 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nn(C)c2Cl)c1 ZINC000105449302 1199541350 /nfs/dbraw/zinc/54/13/50/1199541350.db2.gz AODXRQJBWUAOJV-UHFFFAOYSA-N 2 1 320.868 3.123 20 0 DGADMP CCCOc1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cccc1OCC ZINC000108428011 1199604778 /nfs/dbraw/zinc/60/47/78/1199604778.db2.gz YMZBDRLTFLSYRC-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP CCCOc1c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cccc1OCC ZINC000108428011 1199604781 /nfs/dbraw/zinc/60/47/81/1199604781.db2.gz YMZBDRLTFLSYRC-MRXNPFEDSA-N 2 1 320.477 3.306 20 0 DGADMP [NH3+]Cc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000314209991 1199782902 /nfs/dbraw/zinc/78/29/02/1199782902.db2.gz KKOQFWYPLXFFAA-UHFFFAOYSA-N 2 1 315.848 3.121 20 0 DGADMP CCCOCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000316878202 1199817430 /nfs/dbraw/zinc/81/74/30/1199817430.db2.gz HRTATFIEORIRGL-UHFFFAOYSA-N 2 1 304.478 3.100 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000317420115 1199824864 /nfs/dbraw/zinc/82/48/64/1199824864.db2.gz QCRQKEMYGQNWGU-OPQOLIRYSA-N 2 1 308.510 3.292 20 0 DGADMP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000317420115 1199824869 /nfs/dbraw/zinc/82/48/69/1199824869.db2.gz QCRQKEMYGQNWGU-OPQOLIRYSA-N 2 1 308.510 3.292 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000317579184 1199826458 /nfs/dbraw/zinc/82/64/58/1199826458.db2.gz BTTTYKVDWURUPR-IYHXRUFHSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000317579184 1199826463 /nfs/dbraw/zinc/82/64/63/1199826463.db2.gz BTTTYKVDWURUPR-IYHXRUFHSA-N 2 1 300.446 3.287 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120065373 1200130888 /nfs/dbraw/zinc/13/08/88/1200130888.db2.gz CFRWXJNLOAGVFX-PXNSSMCTSA-N 2 1 315.505 3.112 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000120801840 1200172158 /nfs/dbraw/zinc/17/21/58/1200172158.db2.gz OFYAKRMCRQLOGQ-SFHVURJKSA-N 2 1 317.477 3.103 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000121285482 1200206173 /nfs/dbraw/zinc/20/61/73/1200206173.db2.gz SYAWTMQCQYCCEN-VQIMIIECSA-N 2 1 316.489 3.263 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000121828218 1200239974 /nfs/dbraw/zinc/23/99/74/1200239974.db2.gz RZNLDRANLCXDDI-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000121828218 1200239979 /nfs/dbraw/zinc/23/99/79/1200239979.db2.gz RZNLDRANLCXDDI-NWDGAFQWSA-N 2 1 300.368 3.486 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)cc1 ZINC000126169573 1200500648 /nfs/dbraw/zinc/50/06/48/1200500648.db2.gz PHKSERUMDYAUND-UHFFFAOYSA-N 3 1 315.505 3.117 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001690458893 1200573509 /nfs/dbraw/zinc/57/35/09/1200573509.db2.gz JAXBQMLCHKCJMZ-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001700324611 1202237265 /nfs/dbraw/zinc/23/72/65/1202237265.db2.gz WDZXXZDKGMSJGL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000218616364 1202561935 /nfs/dbraw/zinc/56/19/35/1202561935.db2.gz IPLMLHJCJCRUSF-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000218616364 1202561936 /nfs/dbraw/zinc/56/19/36/1202561936.db2.gz IPLMLHJCJCRUSF-RISCZKNCSA-N 2 1 311.267 3.174 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1C ZINC000151080894 1202591283 /nfs/dbraw/zinc/59/12/83/1202591283.db2.gz YKWLMCADGALNLI-UHFFFAOYSA-N 2 1 318.509 3.407 20 0 DGADMP CC(C)C[NH+]1CCC(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158643846 1202603870 /nfs/dbraw/zinc/60/38/70/1202603870.db2.gz VGWYEEUJDLZBPI-HDICACEKSA-N 2 1 309.542 3.064 20 0 DGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235486688 1202604620 /nfs/dbraw/zinc/60/46/20/1202604620.db2.gz LZJFYUREEXXYEJ-QWHCGFSZSA-N 2 1 311.267 3.442 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1)[NH+](C)C ZINC000236677585 1202618971 /nfs/dbraw/zinc/61/89/71/1202618971.db2.gz DSCRKCFLWJGMLX-CRAIPNDOSA-N 2 1 319.493 3.360 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000236959098 1202637811 /nfs/dbraw/zinc/63/78/11/1202637811.db2.gz TXKYQBORKXCQOK-PXNSSMCTSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1ccc(-c2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)cc1 ZINC000237727741 1202692237 /nfs/dbraw/zinc/69/22/37/1202692237.db2.gz DZQKMRBDKJNVMA-OAQYLSRUSA-N 2 1 324.468 3.208 20 0 DGADMP CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714408189 1202917060 /nfs/dbraw/zinc/91/70/60/1202917060.db2.gz PKLALZULPUIGQT-DLBZAZTESA-N 2 1 323.525 3.068 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000162297003 1203442492 /nfs/dbraw/zinc/44/24/92/1203442492.db2.gz RZYKDHOHRLLGQF-LBPRGKRZSA-N 2 1 300.368 3.320 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000164307292 1203638989 /nfs/dbraw/zinc/63/89/89/1203638989.db2.gz QPCWMWZDEPGZKL-HXUWFJFHSA-N 2 1 322.452 3.244 20 0 DGADMP CCCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001733046398 1204998919 /nfs/dbraw/zinc/99/89/19/1204998919.db2.gz XHFGICBTAJGDSM-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001733046398 1204998921 /nfs/dbraw/zinc/99/89/21/1204998921.db2.gz XHFGICBTAJGDSM-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001733046398 1204998922 /nfs/dbraw/zinc/99/89/22/1204998922.db2.gz XHFGICBTAJGDSM-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001733356403 1205104560 /nfs/dbraw/zinc/10/45/60/1205104560.db2.gz KJHRUFIASXYXQJ-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001734249092 1205349405 /nfs/dbraw/zinc/34/94/05/1205349405.db2.gz CGZHHYSJTZWUOV-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](CCc2ccccc2Br)C1 ZINC001237058725 1099949235 /nfs/dbraw/zinc/94/92/35/1099949235.db2.gz ROTPPOFVCIVQJH-OAHLLOKOSA-N 2 1 311.267 3.052 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccccc2Br)C1 ZINC001237058725 1099949247 /nfs/dbraw/zinc/94/92/47/1099949247.db2.gz ROTPPOFVCIVQJH-OAHLLOKOSA-N 2 1 311.267 3.052 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206769416 1081622160 /nfs/dbraw/zinc/62/21/60/1081622160.db2.gz PCTWRZZFKDAPAW-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206769416 1081622163 /nfs/dbraw/zinc/62/21/63/1081622163.db2.gz PCTWRZZFKDAPAW-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c[nH+]c2c(c1)CCCN2 ZINC001169690252 1081629815 /nfs/dbraw/zinc/62/98/15/1081629815.db2.gz VDKILTKAVUFHQN-QGZVFWFLSA-N 2 1 308.429 3.158 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1NC1=CC[N@H+](C)CC1 ZINC001208802627 1081651153 /nfs/dbraw/zinc/65/11/53/1081651153.db2.gz OQEVYJOBXPILKJ-UHFFFAOYSA-N 2 1 321.222 3.037 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1NC1=CC[N@@H+](C)CC1 ZINC001208802627 1081651156 /nfs/dbraw/zinc/65/11/56/1081651156.db2.gz OQEVYJOBXPILKJ-UHFFFAOYSA-N 2 1 321.222 3.037 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001170101803 1082100393 /nfs/dbraw/zinc/10/03/93/1082100393.db2.gz PMBXAAYJTTTYKJ-NXHRZFHOSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001170110630 1082108211 /nfs/dbraw/zinc/10/82/11/1082108211.db2.gz ZUXNYCILWIKAIB-RSPOEFSDSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)C1 ZINC001170139729 1082183739 /nfs/dbraw/zinc/18/37/39/1082183739.db2.gz WMUMZYQZZNNIOY-LVQVYYBASA-N 2 1 305.491 3.228 20 0 DGADMP CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC001167508582 1082465653 /nfs/dbraw/zinc/46/56/53/1082465653.db2.gz HFDXKCBICIHOGB-BQFCYCMXSA-N 2 1 322.493 3.316 20 0 DGADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccccc3)C=C2)CC1 ZINC001170493199 1082580377 /nfs/dbraw/zinc/58/03/77/1082580377.db2.gz IMPGVENOGFTXQY-KLAILNCOSA-N 2 1 323.440 3.058 20 0 DGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626658 1082622001 /nfs/dbraw/zinc/62/20/01/1082622001.db2.gz DTAOESHUMNANFE-HPFMTEOYSA-N 2 1 323.525 3.092 20 0 DGADMP CC[N@@H+](Cc1ccccc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001204611493 1082777178 /nfs/dbraw/zinc/77/71/78/1082777178.db2.gz OQZPCCUJXHZCLU-UHFFFAOYSA-N 2 1 309.457 3.118 20 0 DGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132154099 1082827670 /nfs/dbraw/zinc/82/76/70/1082827670.db2.gz WZJAEQSNSPEGNU-ZRNVIFCMSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132154099 1082827675 /nfs/dbraw/zinc/82/76/75/1082827675.db2.gz WZJAEQSNSPEGNU-ZRNVIFCMSA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132154099 1082827681 /nfs/dbraw/zinc/82/76/81/1082827681.db2.gz WZJAEQSNSPEGNU-ZRNVIFCMSA-N 2 1 323.525 3.042 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211760 1082839846 /nfs/dbraw/zinc/83/98/46/1082839846.db2.gz QZFMGXFQFKMCDV-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)[C@@H](C)C1 ZINC001167684867 1082910260 /nfs/dbraw/zinc/91/02/60/1082910260.db2.gz HDCLJRRDGXXRSQ-LPHOPBHVSA-N 2 1 318.581 3.394 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([Si](C)(C)C)cc2)[C@@H](C)C1 ZINC001167684867 1082910262 /nfs/dbraw/zinc/91/02/62/1082910262.db2.gz HDCLJRRDGXXRSQ-LPHOPBHVSA-N 2 1 318.581 3.394 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)[C@@H](C)C1 ZINC001167684867 1082910265 /nfs/dbraw/zinc/91/02/65/1082910265.db2.gz HDCLJRRDGXXRSQ-LPHOPBHVSA-N 2 1 318.581 3.394 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132517650 1082928174 /nfs/dbraw/zinc/92/81/74/1082928174.db2.gz GFQSVCIPHHQYNF-CWDJHMJFSA-N 2 1 323.525 3.042 20 0 DGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132517650 1082928177 /nfs/dbraw/zinc/92/81/77/1082928177.db2.gz GFQSVCIPHHQYNF-CWDJHMJFSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524880 1082933932 /nfs/dbraw/zinc/93/39/32/1082933932.db2.gz MXXQYQJUZYYYRS-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548819 1082942936 /nfs/dbraw/zinc/94/29/36/1082942936.db2.gz JOTFCLPYLNNYMB-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170667925 1083071891 /nfs/dbraw/zinc/07/18/91/1083071891.db2.gz AMMNLVXULYMDRW-WCXIOVBPSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170667925 1083071898 /nfs/dbraw/zinc/07/18/98/1083071898.db2.gz AMMNLVXULYMDRW-WCXIOVBPSA-N 2 1 320.427 3.427 20 0 DGADMP CC1(C)[C@@H]2C[C@H]([N@@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170737240 1083258983 /nfs/dbraw/zinc/25/89/83/1083258983.db2.gz WSOBTTIZTNHYQA-PZTJNICRSA-N 2 1 306.494 3.172 20 0 DGADMP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473810 1083630207 /nfs/dbraw/zinc/63/02/07/1083630207.db2.gz CKFJSLYPDQDFAN-JTHGQSKGSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001273473810 1083630213 /nfs/dbraw/zinc/63/02/13/1083630213.db2.gz CKFJSLYPDQDFAN-JTHGQSKGSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001273473810 1083630220 /nfs/dbraw/zinc/63/02/20/1083630220.db2.gz CKFJSLYPDQDFAN-JTHGQSKGSA-N 2 1 323.525 3.044 20 0 DGADMP COc1cc2[nH+]ccn2cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167754640 1083633639 /nfs/dbraw/zinc/63/36/39/1083633639.db2.gz UIKBFBQTDYVGKO-CQSZACIVSA-N 2 1 302.422 3.019 20 0 DGADMP COc1cc2[nH+]ccn2cc1NCCC[N@H+]1CCCC[C@H]1C ZINC001167754640 1083633643 /nfs/dbraw/zinc/63/36/43/1083633643.db2.gz UIKBFBQTDYVGKO-CQSZACIVSA-N 2 1 302.422 3.019 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC001183102733 1083878493 /nfs/dbraw/zinc/87/84/93/1083878493.db2.gz FVFXZOMTCFEHRC-AWEZNQCLSA-N 2 1 306.450 3.072 20 0 DGADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC001183279393 1083907100 /nfs/dbraw/zinc/90/71/00/1083907100.db2.gz BNJUPMLMQWUEQJ-SXLOBPIMSA-N 2 1 318.505 3.405 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001167824033 1084108750 /nfs/dbraw/zinc/10/87/50/1084108750.db2.gz BBAVPMQXSZKRRW-JKSUJKDBSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001167825165 1084116514 /nfs/dbraw/zinc/11/65/14/1084116514.db2.gz GMLTYSLELUQNIE-FUHWJXTLSA-N 2 1 305.466 3.045 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccnc3F)C[C@H]2C1 ZINC001184302826 1084141993 /nfs/dbraw/zinc/14/19/93/1084141993.db2.gz NEJBSQAYSONOBU-YNEHKIRRSA-N 2 1 311.832 3.036 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@H]2C1 ZINC001184303220 1084143562 /nfs/dbraw/zinc/14/35/62/1084143562.db2.gz NSHDHGCTIWTOTE-QYRPDUKASA-N 2 1 312.501 3.454 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001167835712 1084159020 /nfs/dbraw/zinc/15/90/20/1084159020.db2.gz UDANGJGKCZCLGS-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001167837140 1084161200 /nfs/dbraw/zinc/16/12/00/1084161200.db2.gz ICJGMPMZAWRLND-OAHLLOKOSA-N 2 1 300.487 3.161 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001167837928 1084163507 /nfs/dbraw/zinc/16/35/07/1084163507.db2.gz OBVPKHOZWDWYEC-HNNXBMFYSA-N 2 1 316.493 3.223 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCc4cccc(Cl)c4C3)[C@H]2C1 ZINC001184387810 1084167960 /nfs/dbraw/zinc/16/79/60/1084167960.db2.gz NQOUOCAYWSJPIR-DNUAJFIVSA-N 2 1 304.865 3.127 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205296093 1084171760 /nfs/dbraw/zinc/17/17/60/1084171760.db2.gz GRAJUKDKLIRCAT-IAGOWNOFSA-N 2 1 312.498 3.197 20 0 DGADMP CCOC(=O)[C@@]1(C)CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167840666 1084173998 /nfs/dbraw/zinc/17/39/98/1084173998.db2.gz HCZZQTDZZXFYLO-WMZOPIPTSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)C[C@H]1CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167841057 1084176354 /nfs/dbraw/zinc/17/63/54/1084176354.db2.gz JUNHTENKZHNKDI-DLBZAZTESA-N 2 1 312.498 3.162 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001205324687 1084363475 /nfs/dbraw/zinc/36/34/75/1084363475.db2.gz FDTBVGOIOAQAAH-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001205324687 1084363480 /nfs/dbraw/zinc/36/34/80/1084363480.db2.gz FDTBVGOIOAQAAH-CYBMUJFWSA-N 2 1 300.368 3.322 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204735592 1085102354 /nfs/dbraw/zinc/10/23/54/1085102354.db2.gz ZDPDWMKJIWFZJW-UHFFFAOYSA-N 2 1 324.415 3.296 20 0 DGADMP Cc1cccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)n21 ZINC001167959565 1085645863 /nfs/dbraw/zinc/64/58/63/1085645863.db2.gz QZRUZMUOPGCOAT-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP Cc1cccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)n21 ZINC001167959565 1085645868 /nfs/dbraw/zinc/64/58/68/1085645868.db2.gz QZRUZMUOPGCOAT-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP CC1(C)CC([NH3+])CC(C)(C)N1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964185 1085823377 /nfs/dbraw/zinc/82/33/77/1085823377.db2.gz NMCZCXBXQKCMLK-JWTNVVGKSA-N 2 1 319.537 3.372 20 0 DGADMP CC1(C)CC([NH3+])CC(C)(C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964185 1085823382 /nfs/dbraw/zinc/82/33/82/1085823382.db2.gz NMCZCXBXQKCMLK-JWTNVVGKSA-N 3 1 319.537 3.372 20 0 DGADMP CC1(C)CC([NH3+])CC(C)(C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964185 1085823387 /nfs/dbraw/zinc/82/33/87/1085823387.db2.gz NMCZCXBXQKCMLK-JWTNVVGKSA-N 3 1 319.537 3.372 20 0 DGADMP [NH3+]Cc1ccc2nn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2c1 ZINC001167964345 1085826852 /nfs/dbraw/zinc/82/68/52/1085826852.db2.gz PIHDGHTXZSVVHS-JWTNVVGKSA-N 2 1 310.445 3.073 20 0 DGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965858 1085862685 /nfs/dbraw/zinc/86/26/85/1085862685.db2.gz NXXCNKNWFHJKSG-XVLXNVKGSA-N 2 1 311.473 3.454 20 0 DGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965858 1085862696 /nfs/dbraw/zinc/86/26/96/1085862696.db2.gz NXXCNKNWFHJKSG-XVLXNVKGSA-N 2 1 311.473 3.454 20 0 DGADMP COc1cc(F)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968209 1085895100 /nfs/dbraw/zinc/89/51/00/1085895100.db2.gz OAMADQKNNULANB-AYHJJNSGSA-N 2 1 318.436 3.329 20 0 DGADMP COc1cc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968209 1085895114 /nfs/dbraw/zinc/89/51/14/1085895114.db2.gz OAMADQKNNULANB-AYHJJNSGSA-N 2 1 318.436 3.329 20 0 DGADMP COc1cc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968209 1085895130 /nfs/dbraw/zinc/89/51/30/1085895130.db2.gz OAMADQKNNULANB-AYHJJNSGSA-N 2 1 318.436 3.329 20 0 DGADMP C[NH+]1CCC(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167972901 1085912600 /nfs/dbraw/zinc/91/26/00/1085912600.db2.gz DPLQMRRMFMLNOG-IHWFROFDSA-N 3 1 319.537 3.103 20 0 DGADMP c1nc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2o1 ZINC001167973533 1085915365 /nfs/dbraw/zinc/91/53/65/1085915365.db2.gz MKSNYIDJCRSPSG-ALOPSCKCSA-N 2 1 311.429 3.323 20 0 DGADMP Brc1cccc2c1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000713194859 1085986216 /nfs/dbraw/zinc/98/62/16/1085986216.db2.gz RVNXUJVDBQDTON-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP Brc1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000713194859 1085986224 /nfs/dbraw/zinc/98/62/24/1085986224.db2.gz RVNXUJVDBQDTON-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP COc1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003243 1086122653 /nfs/dbraw/zinc/12/26/53/1086122653.db2.gz LORGEFIODDYUSW-JWTNVVGKSA-N 2 1 312.457 3.416 20 0 DGADMP COc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003243 1086122655 /nfs/dbraw/zinc/12/26/55/1086122655.db2.gz LORGEFIODDYUSW-JWTNVVGKSA-N 2 1 312.457 3.416 20 0 DGADMP COc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003243 1086122657 /nfs/dbraw/zinc/12/26/57/1086122657.db2.gz LORGEFIODDYUSW-JWTNVVGKSA-N 2 1 312.457 3.416 20 0 DGADMP COc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003243 1086122659 /nfs/dbraw/zinc/12/26/59/1086122659.db2.gz LORGEFIODDYUSW-JWTNVVGKSA-N 2 1 312.457 3.416 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011225 1086213349 /nfs/dbraw/zinc/21/33/49/1086213349.db2.gz MWGUIJLPBODIRO-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011225 1086213356 /nfs/dbraw/zinc/21/33/56/1086213356.db2.gz MWGUIJLPBODIRO-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011225 1086213366 /nfs/dbraw/zinc/21/33/66/1086213366.db2.gz MWGUIJLPBODIRO-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011225 1086213369 /nfs/dbraw/zinc/21/33/69/1086213369.db2.gz MWGUIJLPBODIRO-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011225 1086213378 /nfs/dbraw/zinc/21/33/78/1086213378.db2.gz MWGUIJLPBODIRO-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011385 1086215008 /nfs/dbraw/zinc/21/50/08/1086215008.db2.gz OSMOGMPUWJQLRQ-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011385 1086215017 /nfs/dbraw/zinc/21/50/17/1086215017.db2.gz OSMOGMPUWJQLRQ-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011385 1086215025 /nfs/dbraw/zinc/21/50/25/1086215025.db2.gz OSMOGMPUWJQLRQ-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011385 1086215034 /nfs/dbraw/zinc/21/50/34/1086215034.db2.gz OSMOGMPUWJQLRQ-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011385 1086215044 /nfs/dbraw/zinc/21/50/44/1086215044.db2.gz OSMOGMPUWJQLRQ-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011924 1086231119 /nfs/dbraw/zinc/23/11/19/1086231119.db2.gz UIFXRJWLHHDLQI-PIKOESSRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012423 1086242791 /nfs/dbraw/zinc/24/27/91/1086242791.db2.gz ZUIOQEKUVHDEIA-ZRSLWSEBSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012423 1086242796 /nfs/dbraw/zinc/24/27/96/1086242796.db2.gz ZUIOQEKUVHDEIA-ZRSLWSEBSA-N 3 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012423 1086242805 /nfs/dbraw/zinc/24/28/05/1086242805.db2.gz ZUIOQEKUVHDEIA-ZRSLWSEBSA-N 3 1 315.505 3.288 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015475 1086293889 /nfs/dbraw/zinc/29/38/89/1086293889.db2.gz QQLOLOMSDCTIPX-ALXJQNPVSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC(C)([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025334 1086432921 /nfs/dbraw/zinc/43/29/21/1086432921.db2.gz JOZMCIXHEZYHDE-IZZQQSIFSA-N 2 1 315.505 3.241 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(C)(O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039650 1086498270 /nfs/dbraw/zinc/49/82/70/1086498270.db2.gz GUUUJGGMUWTDBY-IZZQQSIFSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC(C)(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039650 1086498272 /nfs/dbraw/zinc/49/82/72/1086498272.db2.gz GUUUJGGMUWTDBY-IZZQQSIFSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040032 1086500282 /nfs/dbraw/zinc/50/02/82/1086500282.db2.gz JXLLLBGMBZFPJX-NHAYFPRASA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040032 1086500287 /nfs/dbraw/zinc/50/02/87/1086500287.db2.gz JXLLLBGMBZFPJX-NHAYFPRASA-N 2 1 316.489 3.273 20 0 DGADMP C[C@@H]1CC([N@H+]2C[C@@H]3COC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047028 1086532940 /nfs/dbraw/zinc/53/29/40/1086532940.db2.gz QAWAEAJNFGIZIW-RWQQGDIJSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168050685 1086590259 /nfs/dbraw/zinc/59/02/59/1086590259.db2.gz CGZYXTRAINVNKS-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168050685 1086590267 /nfs/dbraw/zinc/59/02/67/1086590267.db2.gz CGZYXTRAINVNKS-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050685 1086590273 /nfs/dbraw/zinc/59/02/73/1086590273.db2.gz CGZYXTRAINVNKS-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050685 1086590279 /nfs/dbraw/zinc/59/02/79/1086590279.db2.gz CGZYXTRAINVNKS-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050685 1086590287 /nfs/dbraw/zinc/59/02/87/1086590287.db2.gz CGZYXTRAINVNKS-PIKOESSRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]23CCOC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056881 1086627405 /nfs/dbraw/zinc/62/74/05/1086627405.db2.gz JLHFVDLSFUZTNU-PIKOESSRSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]23CCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056881 1086627412 /nfs/dbraw/zinc/62/74/12/1086627412.db2.gz JLHFVDLSFUZTNU-PIKOESSRSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056881 1086627428 /nfs/dbraw/zinc/62/74/28/1086627428.db2.gz JLHFVDLSFUZTNU-PIKOESSRSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056881 1086627430 /nfs/dbraw/zinc/62/74/30/1086627430.db2.gz JLHFVDLSFUZTNU-PIKOESSRSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168100668 1086875795 /nfs/dbraw/zinc/87/57/95/1086875795.db2.gz DCXCVMXSUHVKMW-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394829 1086908441 /nfs/dbraw/zinc/90/84/41/1086908441.db2.gz PPRVMGWLMAMONG-ROUUACIJSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC)C1 ZINC001088411881 1086916027 /nfs/dbraw/zinc/91/60/27/1086916027.db2.gz SOCUBMFAMGSQMK-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC)C1 ZINC001088411882 1086916165 /nfs/dbraw/zinc/91/61/65/1086916165.db2.gz SOCUBMFAMGSQMK-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168136945 1086969522 /nfs/dbraw/zinc/96/95/22/1086969522.db2.gz MIMXMDFFYYBWJH-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C)CC1)C2 ZINC001168215189 1087059167 /nfs/dbraw/zinc/05/91/67/1087059167.db2.gz MPVFHENRNOKOKL-RDVQEIBISA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(C)CC1)C2 ZINC001168215189 1087059175 /nfs/dbraw/zinc/05/91/75/1087059175.db2.gz MPVFHENRNOKOKL-RDVQEIBISA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(C)CC1)C2 ZINC001168215189 1087059180 /nfs/dbraw/zinc/05/91/80/1087059180.db2.gz MPVFHENRNOKOKL-RDVQEIBISA-N 2 1 320.521 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccccc1Nc1c(N)cc[nH+]c1OC ZINC001211988950 1087123554 /nfs/dbraw/zinc/12/35/54/1087123554.db2.gz GBTUROLVEPSBLA-UHFFFAOYSA-N 2 1 300.406 3.258 20 0 DGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203431329 1087250542 /nfs/dbraw/zinc/25/05/42/1087250542.db2.gz ARTBSOQKKSCUEU-BQYQJAHWSA-N 2 1 323.525 3.045 20 0 DGADMP CN1CCC([N@@H+](C2CCCC2)C2CCC([NH+](C)C)CC2)CC1 ZINC001168330512 1087296661 /nfs/dbraw/zinc/29/66/61/1087296661.db2.gz RIXSSAIQZRJHBN-UHFFFAOYSA-N 2 1 307.526 3.198 20 0 DGADMP C(C1CC1)[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001168365680 1087385947 /nfs/dbraw/zinc/38/59/47/1087385947.db2.gz DIUOXPRKPRWCMK-FQEVSTJZSA-N 2 1 319.537 3.105 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168371543 1087447777 /nfs/dbraw/zinc/44/77/77/1087447777.db2.gz OAYZPTKALMODIM-UAPYVXQJSA-N 2 1 307.526 3.103 20 0 DGADMP CCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483258811 1087451862 /nfs/dbraw/zinc/45/18/62/1087451862.db2.gz VWKVWXBFGRCSIM-WMZOPIPTSA-N 2 1 323.525 3.068 20 0 DGADMP COc1cccc(CCC[N@@H+](C)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168387813 1087547835 /nfs/dbraw/zinc/54/78/35/1087547835.db2.gz VBOAIQDJARFWOZ-UHFFFAOYSA-N 2 1 316.489 3.434 20 0 DGADMP Fc1ccc(O[C@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168392010 1087550461 /nfs/dbraw/zinc/55/04/61/1087550461.db2.gz PUPOVOYKZINDIW-IBGZPJMESA-N 2 1 318.436 3.153 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395043 1087551481 /nfs/dbraw/zinc/55/14/81/1087551481.db2.gz KNHPAWLSOPOSLV-IBGZPJMESA-N 2 1 318.436 3.153 20 0 DGADMP Fc1cccc(O[C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395043 1087551485 /nfs/dbraw/zinc/55/14/85/1087551485.db2.gz KNHPAWLSOPOSLV-IBGZPJMESA-N 2 1 318.436 3.153 20 0 DGADMP CN1CCC([N@H+](C2CCCC2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394508 1087551539 /nfs/dbraw/zinc/55/15/39/1087551539.db2.gz ABBLARCGOQQSLS-UHFFFAOYSA-N 2 1 319.537 3.200 20 0 DGADMP CN1CCC([N@@H+](C2CCCC2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394508 1087551544 /nfs/dbraw/zinc/55/15/44/1087551544.db2.gz ABBLARCGOQQSLS-UHFFFAOYSA-N 2 1 319.537 3.200 20 0 DGADMP CC1(C)C[C@@H](Nc2nc(NC3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158259134 1087747361 /nfs/dbraw/zinc/74/73/61/1087747361.db2.gz FOMHFNSITJXYAS-CXAGYDPISA-N 2 1 303.454 3.007 20 0 DGADMP Cc1cc2c(nc[nH+]c2N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH]1 ZINC001158265442 1087750315 /nfs/dbraw/zinc/75/03/15/1087750315.db2.gz HRKDOKFQMLNJRO-PXAZEXFGSA-N 2 1 301.438 3.222 20 0 DGADMP CCc1nc(C)cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001158521871 1087889962 /nfs/dbraw/zinc/88/99/62/1087889962.db2.gz OYSQBAAWNQPIKJ-IAGOWNOFSA-N 2 1 324.472 3.447 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cnc3ccccc3c2Cl)C1 ZINC001206648184 1088314629 /nfs/dbraw/zinc/31/46/29/1088314629.db2.gz MJJHLHJNEWTGSP-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cnc3ccccc3c2Cl)C1 ZINC001206648184 1088314637 /nfs/dbraw/zinc/31/46/37/1088314637.db2.gz MJJHLHJNEWTGSP-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP Cc1c(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205146476 1088325729 /nfs/dbraw/zinc/32/57/29/1088325729.db2.gz XIPRODDQONYFEX-IINYFYTJSA-N 2 1 311.267 3.093 20 0 DGADMP Cc1c(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205146476 1088325750 /nfs/dbraw/zinc/32/57/50/1088325750.db2.gz XIPRODDQONYFEX-IINYFYTJSA-N 2 1 311.267 3.093 20 0 DGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854430 1088386139 /nfs/dbraw/zinc/38/61/39/1088386139.db2.gz ALFCKMBUZKYUHC-KBOKABMXSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854430 1088386152 /nfs/dbraw/zinc/38/61/52/1088386152.db2.gz ALFCKMBUZKYUHC-KBOKABMXSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854430 1088386169 /nfs/dbraw/zinc/38/61/69/1088386169.db2.gz ALFCKMBUZKYUHC-KBOKABMXSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033482 1088446796 /nfs/dbraw/zinc/44/67/96/1088446796.db2.gz AIGLWSFILOXAOJ-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033482 1088446808 /nfs/dbraw/zinc/44/68/08/1088446808.db2.gz AIGLWSFILOXAOJ-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033482 1088446820 /nfs/dbraw/zinc/44/68/20/1088446820.db2.gz AIGLWSFILOXAOJ-NUQYTELCSA-N 2 1 323.525 3.044 20 0 DGADMP c1[nH]c2ccc(Nc3ccc(O[C@H]4CCC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159948083 1088566103 /nfs/dbraw/zinc/56/61/03/1088566103.db2.gz CTCOFDCLZBUFNP-INIZCTEOSA-N 2 1 308.385 3.437 20 0 DGADMP [NH3+][C@@H]1CCN(c2c(F)cccc2Nc2cc[nH+]c3ccccc23)C1 ZINC001160116635 1088646601 /nfs/dbraw/zinc/64/66/01/1088646601.db2.gz XEMLJYHTDXOMMR-CYBMUJFWSA-N 2 1 322.387 3.077 20 0 DGADMP c1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2cc[nH+]c3ccccc23)c1 ZINC001160164799 1088681847 /nfs/dbraw/zinc/68/18/47/1088681847.db2.gz OBINRGNWLRRYKL-CQSZACIVSA-N 2 1 305.381 3.141 20 0 DGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)[nH+]1 ZINC001155097111 1088942308 /nfs/dbraw/zinc/94/23/08/1088942308.db2.gz VJUYFXZYNYUEOV-IBGZPJMESA-N 2 1 318.424 3.291 20 0 DGADMP CC(C)(C)c1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]c1 ZINC001155390919 1089088786 /nfs/dbraw/zinc/08/87/86/1089088786.db2.gz TUDZKKOYAQFLPR-INIZCTEOSA-N 2 1 317.477 3.340 20 0 DGADMP CCC(CC)[NH+]1CCC(Nc2nc(NC3CC3)cc[nH+]2)CC1 ZINC001161095225 1089112284 /nfs/dbraw/zinc/11/22/84/1089112284.db2.gz RLZOHQJCWZMDRE-UHFFFAOYSA-N 2 1 303.454 3.116 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484044662 1089122464 /nfs/dbraw/zinc/12/24/64/1089122464.db2.gz URKORVXWJAGARC-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484044662 1089122470 /nfs/dbraw/zinc/12/24/70/1089122470.db2.gz URKORVXWJAGARC-MJGOQNOKSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc2c(C)cc(NCc3noc4c3C[NH2+]CC4)[nH+]c2c1C ZINC001155502192 1089139022 /nfs/dbraw/zinc/13/90/22/1089139022.db2.gz MPNZNSLWMDKMFL-UHFFFAOYSA-N 2 1 322.412 3.406 20 0 DGADMP Cc1cccc2cc[nH+]c(N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)c12 ZINC001161279912 1089175379 /nfs/dbraw/zinc/17/53/79/1089175379.db2.gz HFYLRKXVNGVIIM-WKILWMFISA-N 2 1 311.429 3.018 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(NCCCC[NH+](C)C)c(C)c2)CC1 ZINC001161728491 1089373474 /nfs/dbraw/zinc/37/34/74/1089373474.db2.gz LORGFARBESCYIK-UHFFFAOYSA-N 2 1 316.493 3.253 20 0 DGADMP COc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001156315177 1089473862 /nfs/dbraw/zinc/47/38/62/1089473862.db2.gz KOKHJUKZICVAAD-BHIYHBOVSA-N 2 1 323.440 3.413 20 0 DGADMP Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]1 ZINC001162452494 1089738720 /nfs/dbraw/zinc/73/87/20/1089738720.db2.gz FMPIWYGOWRQQSF-ZYHUDNBSSA-N 2 1 301.356 3.456 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cccc1C1CCOCC1 ZINC001162461730 1089745649 /nfs/dbraw/zinc/74/56/49/1089745649.db2.gz QWBLEWJRXBWXOL-HOCLYGCPSA-N 2 1 303.450 3.023 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001162472040 1089750926 /nfs/dbraw/zinc/75/09/26/1089750926.db2.gz TYQNAKSMTFFYGG-CHWSQXEVSA-N 2 1 311.420 3.074 20 0 DGADMP CCc1cc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)nc(CC)n1 ZINC001162867632 1089998658 /nfs/dbraw/zinc/99/86/58/1089998658.db2.gz LSRKUTJJHFVQNM-OAHLLOKOSA-N 2 1 304.482 3.381 20 0 DGADMP CCC(=O)Nc1cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)cc[nH+]1 ZINC001162912909 1090023490 /nfs/dbraw/zinc/02/34/90/1090023490.db2.gz AGVLIAUVJBSDOV-GFCCVEGCSA-N 2 1 308.385 3.394 20 0 DGADMP Fc1ccc2c(cc[nH+]c2NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163056051 1090065172 /nfs/dbraw/zinc/06/51/72/1090065172.db2.gz NDCRUGZLDXTWOZ-AWEZNQCLSA-N 2 1 324.403 3.397 20 0 DGADMP Cc1ccc2cc[nH+]c(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)c2c1 ZINC001163131542 1090085173 /nfs/dbraw/zinc/08/51/73/1090085173.db2.gz WDUQOKKFCQPKEV-UHFFFAOYSA-N 2 1 320.440 3.089 20 0 DGADMP C[N@@H+](Cc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)nc1)C1CC1 ZINC001157751775 1090099270 /nfs/dbraw/zinc/09/92/70/1090099270.db2.gz MDXWXLOUVWFSFX-INIZCTEOSA-N 2 1 322.456 3.260 20 0 DGADMP Cc1cc[nH+]c2cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163284860 1090139804 /nfs/dbraw/zinc/13/98/04/1090139804.db2.gz ONARMYBFCDTSLN-DNVCBOLYSA-N 2 1 311.429 3.114 20 0 DGADMP COC(=O)c1c(C)cc(C)nc1N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163361065 1090162348 /nfs/dbraw/zinc/16/23/48/1090162348.db2.gz GPTVCSIVHAYLBF-ZFWWWQNUSA-N 2 1 319.449 3.016 20 0 DGADMP CCc1ccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)o1 ZINC001204390575 1090453055 /nfs/dbraw/zinc/45/30/55/1090453055.db2.gz HPFWHBMUMREJQT-LJQANCHMSA-N 2 1 320.477 3.165 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)C[C@H]2CC[NH2+]C2)nc1 ZINC001165126292 1090468195 /nfs/dbraw/zinc/46/81/95/1090468195.db2.gz YGNIGPNYNOEUAJ-WMZOPIPTSA-N 2 1 316.493 3.064 20 0 DGADMP Cc1c[nH+]c(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1N ZINC001165202141 1090480307 /nfs/dbraw/zinc/48/03/07/1090480307.db2.gz LFLSQQRMAVZFGX-CVEARBPZSA-N 2 1 310.445 3.071 20 0 DGADMP CCc1cccc(NCc2ccc(CN3CCOCC3)cc2)[nH+]1 ZINC001165398749 1090515593 /nfs/dbraw/zinc/51/55/93/1090515593.db2.gz QQQADKTUNYUHDZ-UHFFFAOYSA-N 2 1 311.429 3.088 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 ZINC001203943083 1090845312 /nfs/dbraw/zinc/84/53/12/1090845312.db2.gz DOHXGPLHLHQUFI-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 ZINC001203943083 1090845322 /nfs/dbraw/zinc/84/53/22/1090845322.db2.gz DOHXGPLHLHQUFI-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 ZINC001203943083 1090845333 /nfs/dbraw/zinc/84/53/33/1090845333.db2.gz DOHXGPLHLHQUFI-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 ZINC001203943083 1090845346 /nfs/dbraw/zinc/84/53/46/1090845346.db2.gz DOHXGPLHLHQUFI-HDICACEKSA-N 2 1 308.425 3.472 20 0 DGADMP C[C@H](C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1)c1ccccc1 ZINC001276436868 1090880492 /nfs/dbraw/zinc/88/04/92/1090880492.db2.gz UEHCHROMLIACCA-QGZVFWFLSA-N 2 1 324.472 3.111 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccncc4)CC[C@H]3C2)cc1 ZINC001204082627 1090896790 /nfs/dbraw/zinc/89/67/90/1090896790.db2.gz ZDQBORXSHWHPIO-SFTDATJTSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccncc4)CC[C@H]3C2)cc1 ZINC001204082627 1090896795 /nfs/dbraw/zinc/89/67/95/1090896795.db2.gz ZDQBORXSHWHPIO-SFTDATJTSA-N 2 1 321.468 3.426 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccncc4)CC[C@H]3C2)cc1 ZINC001204082627 1090896802 /nfs/dbraw/zinc/89/68/02/1090896802.db2.gz ZDQBORXSHWHPIO-SFTDATJTSA-N 2 1 321.468 3.426 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@@H]2C1 ZINC001204090070 1090900107 /nfs/dbraw/zinc/90/01/07/1090900107.db2.gz VMIAMQCVLUQDHX-QJPTWQEYSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(C(F)(F)F)c3)[C@@H]2C1 ZINC001204090070 1090900110 /nfs/dbraw/zinc/90/01/10/1090900110.db2.gz VMIAMQCVLUQDHX-QJPTWQEYSA-N 2 1 304.381 3.197 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204270256 1090936929 /nfs/dbraw/zinc/93/69/29/1090936929.db2.gz RNOLRAOMYGCORN-CALCHBBNSA-N 2 1 304.478 3.495 20 0 DGADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451994 1090941261 /nfs/dbraw/zinc/94/12/61/1090941261.db2.gz OSMAGYHXLPZSSH-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451994 1090941266 /nfs/dbraw/zinc/94/12/66/1090941266.db2.gz OSMAGYHXLPZSSH-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451994 1090941270 /nfs/dbraw/zinc/94/12/70/1090941270.db2.gz OSMAGYHXLPZSSH-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451994 1090941272 /nfs/dbraw/zinc/94/12/72/1090941272.db2.gz OSMAGYHXLPZSSH-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451994 1090941275 /nfs/dbraw/zinc/94/12/75/1090941275.db2.gz OSMAGYHXLPZSSH-BGYRXZFFSA-N 2 1 321.553 3.162 20 0 DGADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001276452169 1090943453 /nfs/dbraw/zinc/94/34/53/1090943453.db2.gz WRIGVKFVNWLHEF-YQQQUEKLSA-N 2 1 324.509 3.162 20 0 DGADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001276452169 1090943455 /nfs/dbraw/zinc/94/34/55/1090943455.db2.gz WRIGVKFVNWLHEF-YQQQUEKLSA-N 2 1 324.509 3.162 20 0 DGADMP CC/C=C\CCC[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276465926 1090973177 /nfs/dbraw/zinc/97/31/77/1090973177.db2.gz ULEROCIUFKDLOA-WAYWQWQTSA-N 2 1 321.553 3.472 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)cc3)C[C@H]2C1 ZINC001204457482 1090974027 /nfs/dbraw/zinc/97/40/27/1090974027.db2.gz HHVNJGSOIDZYFA-QZTJIDSGSA-N 2 1 302.462 3.247 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCC2 ZINC001204492768 1090982311 /nfs/dbraw/zinc/98/23/11/1090982311.db2.gz GDHACVTVLAIRHU-LJQANCHMSA-N 2 1 314.473 3.462 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCC2 ZINC001204492768 1090982317 /nfs/dbraw/zinc/98/23/17/1090982317.db2.gz GDHACVTVLAIRHU-LJQANCHMSA-N 2 1 314.473 3.462 20 0 DGADMP CS[C@H](C)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276470242 1090988318 /nfs/dbraw/zinc/98/83/18/1090988318.db2.gz JBGSURKOQUZHFZ-ZACQAIPSSA-N 2 1 321.534 3.300 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276470242 1090988320 /nfs/dbraw/zinc/98/83/20/1090988320.db2.gz JBGSURKOQUZHFZ-ZACQAIPSSA-N 2 1 321.534 3.300 20 0 DGADMP CS[C@H](C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276470242 1090988322 /nfs/dbraw/zinc/98/83/22/1090988322.db2.gz JBGSURKOQUZHFZ-ZACQAIPSSA-N 2 1 321.534 3.300 20 0 DGADMP CS[C@H](C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276470623 1090990653 /nfs/dbraw/zinc/99/06/53/1090990653.db2.gz OAUMIJSWYRVSRR-MRXNPFEDSA-N 2 1 321.534 3.444 20 0 DGADMP Cc1ccc(C)c(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC001204621724 1091008158 /nfs/dbraw/zinc/00/81/58/1091008158.db2.gz LNFITMVLGSRTQQ-UHFFFAOYSA-N 2 1 321.468 3.229 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727582 1091023542 /nfs/dbraw/zinc/02/35/42/1091023542.db2.gz DHCHCXPKZBVOOP-QGZVFWFLSA-N 2 1 310.526 3.419 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)c2)cc1 ZINC001204754899 1091030293 /nfs/dbraw/zinc/03/02/93/1091030293.db2.gz BXDXSLSLEDOZSP-HXUWFJFHSA-N 2 1 310.441 3.212 20 0 DGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276478348 1091079255 /nfs/dbraw/zinc/07/92/55/1091079255.db2.gz WCPGIIJKKVVCHH-DSQZMVHQSA-N 2 1 307.526 3.223 20 0 DGADMP [NH3+]CC1CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001205026825 1091086479 /nfs/dbraw/zinc/08/64/79/1091086479.db2.gz ZZXKJQWGCOCQJZ-GDNBJRDFSA-N 2 1 309.251 3.093 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001205047032 1091090621 /nfs/dbraw/zinc/09/06/21/1091090621.db2.gz NGTQFUOOILNSOR-UHFFFAOYSA-N 2 1 322.758 3.409 20 0 DGADMP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205101692 1091102703 /nfs/dbraw/zinc/10/27/03/1091102703.db2.gz JEZUFYBHMYTTGE-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205101692 1091102705 /nfs/dbraw/zinc/10/27/05/1091102705.db2.gz JEZUFYBHMYTTGE-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205101691 1091102713 /nfs/dbraw/zinc/10/27/13/1091102713.db2.gz JEZUFYBHMYTTGE-CYBMUJFWSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205101691 1091102714 /nfs/dbraw/zinc/10/27/14/1091102714.db2.gz JEZUFYBHMYTTGE-CYBMUJFWSA-N 2 1 322.250 3.244 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1OC1CCCC1 ZINC001205110756 1091105362 /nfs/dbraw/zinc/10/53/62/1091105362.db2.gz ZQWYXURBHPESBC-INIZCTEOSA-N 2 1 318.461 3.330 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205116629 1091106573 /nfs/dbraw/zinc/10/65/73/1091106573.db2.gz FDICIUHMQOSZLW-LLVKDONJSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205116629 1091106576 /nfs/dbraw/zinc/10/65/76/1091106576.db2.gz FDICIUHMQOSZLW-LLVKDONJSA-N 2 1 322.250 3.244 20 0 DGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)c2c1 ZINC001205123420 1091108288 /nfs/dbraw/zinc/10/82/88/1091108288.db2.gz AWGJZWGIMYYNEQ-OAHLLOKOSA-N 2 1 314.429 3.170 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205124351 1091108410 /nfs/dbraw/zinc/10/84/10/1091108410.db2.gz OSBFOAMYOWUVJB-QGZVFWFLSA-N 2 1 311.429 3.070 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C[C@H]1C[NH3+] ZINC001205150775 1091113407 /nfs/dbraw/zinc/11/34/07/1091113407.db2.gz KBAFDPAKQFXDOZ-XJKSGUPXSA-N 2 1 315.848 3.429 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)cc2)cc1 ZINC001205228152 1091138563 /nfs/dbraw/zinc/13/85/63/1091138563.db2.gz CNHBNOFLPPTTEM-OAQYLSRUSA-N 2 1 324.468 3.338 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC001205240585 1091144726 /nfs/dbraw/zinc/14/47/26/1091144726.db2.gz LUDNGOKDRXXTBG-HXUWFJFHSA-N 2 1 310.441 3.029 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205242624 1091146213 /nfs/dbraw/zinc/14/62/13/1091146213.db2.gz YNFVGNLPZLXADB-LJQANCHMSA-N 2 1 304.478 3.050 20 0 DGADMP C[C@]1([NH3+])CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205255092 1091151767 /nfs/dbraw/zinc/15/17/67/1091151767.db2.gz GPRJTNCPHZQXQF-UXHICEINSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255092 1091151770 /nfs/dbraw/zinc/15/17/70/1091151770.db2.gz GPRJTNCPHZQXQF-UXHICEINSA-N 2 1 315.505 3.244 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205255092 1091151776 /nfs/dbraw/zinc/15/17/76/1091151776.db2.gz GPRJTNCPHZQXQF-UXHICEINSA-N 2 1 315.505 3.244 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)c2c1 ZINC001205273145 1091159269 /nfs/dbraw/zinc/15/92/69/1091159269.db2.gz FZACKKXNTVBDMC-SFHVURJKSA-N 2 1 301.434 3.270 20 0 DGADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205281167 1091164116 /nfs/dbraw/zinc/16/41/16/1091164116.db2.gz QQTSUQJTXUTLBY-QGZVFWFLSA-N 2 1 324.852 3.220 20 0 DGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205281167 1091164124 /nfs/dbraw/zinc/16/41/24/1091164124.db2.gz QQTSUQJTXUTLBY-QGZVFWFLSA-N 2 1 324.852 3.220 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001205287677 1091165961 /nfs/dbraw/zinc/16/59/61/1091165961.db2.gz AOSUXZKMLVTULK-SFHVURJKSA-N 2 1 305.441 3.129 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296825 1091170813 /nfs/dbraw/zinc/17/08/13/1091170813.db2.gz UKNAZUXNZQDUHM-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296825 1091170816 /nfs/dbraw/zinc/17/08/16/1091170816.db2.gz UKNAZUXNZQDUHM-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC001205296709 1091171340 /nfs/dbraw/zinc/17/13/40/1091171340.db2.gz SSZAAAZUVGXCSD-PKOBYXMFSA-N 2 1 304.478 3.290 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205318302 1091183936 /nfs/dbraw/zinc/18/39/36/1091183936.db2.gz TZFSINOBUHKBSM-HNAYVOBHSA-N 2 1 309.457 3.474 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205318301 1091183977 /nfs/dbraw/zinc/18/39/77/1091183977.db2.gz TZFSINOBUHKBSM-DNVCBOLYSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1CCCc1ccc(Br)cc1 ZINC001205326473 1091187119 /nfs/dbraw/zinc/18/71/19/1091187119.db2.gz ZOXKKPKMBCBGAY-ZDUSSCGKSA-N 2 1 311.267 3.066 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001205340543 1091192970 /nfs/dbraw/zinc/19/29/70/1091192970.db2.gz XFCMWKLCHIJBDT-PBHICJAKSA-N 2 1 324.415 3.021 20 0 DGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CC1CC[NH+](C)CC1)[C@H]2C ZINC001205353046 1091196114 /nfs/dbraw/zinc/19/61/14/1091196114.db2.gz AZBDSSLVJGFZRJ-CABCVRRESA-N 2 1 302.462 3.345 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1 ZINC001138545125 1091221141 /nfs/dbraw/zinc/22/11/41/1091221141.db2.gz SABQVUBYMZHBIH-MJGOQNOKSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc1 ZINC001138545125 1091221159 /nfs/dbraw/zinc/22/11/59/1091221159.db2.gz SABQVUBYMZHBIH-MJGOQNOKSA-N 2 1 311.429 3.182 20 0 DGADMP CCN(CC[NH+]1CCCC1)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547307 1091223979 /nfs/dbraw/zinc/22/39/79/1091223979.db2.gz JUDTWEODBRNOAW-UHFFFAOYSA-N 2 1 312.461 3.098 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CCCO3)CC2)cc1 ZINC001138547306 1091226533 /nfs/dbraw/zinc/22/65/33/1091226533.db2.gz JRIRVJMYHRWTEK-UHFFFAOYSA-N 2 1 311.429 3.326 20 0 DGADMP Cn1c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc2ccccc21 ZINC001205541191 1091246399 /nfs/dbraw/zinc/24/63/99/1091246399.db2.gz OAJRHGGNEZQGCO-UHFFFAOYSA-N 2 1 311.473 3.486 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC001205545218 1091248720 /nfs/dbraw/zinc/24/87/20/1091248720.db2.gz AQUSXQLQVJAFGX-OAHLLOKOSA-N 2 1 302.796 3.175 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001205558327 1091254283 /nfs/dbraw/zinc/25/42/83/1091254283.db2.gz DJVWPCUOQLECSP-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205559913 1091255599 /nfs/dbraw/zinc/25/55/99/1091255599.db2.gz XAOQRXLKZUSMAB-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205571611 1091260296 /nfs/dbraw/zinc/26/02/96/1091260296.db2.gz VZGWUUTYSVVYED-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP CCn1nc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001138644410 1091273325 /nfs/dbraw/zinc/27/33/25/1091273325.db2.gz OITKWPBCUPNGJT-SFHVURJKSA-N 2 1 318.509 3.360 20 0 DGADMP CCn1nc(C)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001138644410 1091273332 /nfs/dbraw/zinc/27/33/32/1091273332.db2.gz OITKWPBCUPNGJT-SFHVURJKSA-N 2 1 318.509 3.360 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205601919 1091273879 /nfs/dbraw/zinc/27/38/79/1091273879.db2.gz GSAZQKYAQGYUDK-JSGCOSHPSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)s2)CC[C@@H]1C[NH3+] ZINC001205616206 1091279423 /nfs/dbraw/zinc/27/94/23/1091279423.db2.gz DKLZCTBSUQCMLY-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205616611 1091282462 /nfs/dbraw/zinc/28/24/62/1091282462.db2.gz GSSJTMPCUOCWAT-WBVHZDCISA-N 2 1 312.461 3.192 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205627196 1091286173 /nfs/dbraw/zinc/28/61/73/1091286173.db2.gz NSTVFKKTZGBVOQ-VXGBXAGGSA-N 2 1 316.367 3.218 20 0 DGADMP COc1ccc2nccc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c2c1 ZINC001205627150 1091286199 /nfs/dbraw/zinc/28/61/99/1091286199.db2.gz NCXBAQOGIZUQNJ-GJZGRUSLSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)CC[C@H]1C[NH3+] ZINC001205626350 1091286342 /nfs/dbraw/zinc/28/63/42/1091286342.db2.gz GCMDTPMNQFEHGQ-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc3cccnc3cc2F)CC[C@@H]1C[NH3+] ZINC001205626871 1091286790 /nfs/dbraw/zinc/28/67/90/1091286790.db2.gz JZEFAQJGTMUGOV-UKRRQHHQSA-N 2 1 301.409 3.181 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138683656 1091287994 /nfs/dbraw/zinc/28/79/94/1091287994.db2.gz KGKBJKIGRVLQHS-OLZOCXBDSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138683656 1091287999 /nfs/dbraw/zinc/28/79/99/1091287999.db2.gz KGKBJKIGRVLQHS-OLZOCXBDSA-N 2 1 303.837 3.205 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138683656 1091288008 /nfs/dbraw/zinc/28/80/08/1091288008.db2.gz KGKBJKIGRVLQHS-OLZOCXBDSA-N 2 1 303.837 3.205 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205628538 1091288876 /nfs/dbraw/zinc/28/88/76/1091288876.db2.gz VVHKGYCJCLDQQX-YPMHNXCESA-N 2 1 315.383 3.216 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651374 1091296488 /nfs/dbraw/zinc/29/64/88/1091296488.db2.gz DESGBUSWZJCWNL-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC[C@H]1C[NH3+] ZINC001205651344 1091296564 /nfs/dbraw/zinc/29/65/64/1091296564.db2.gz CVAYDLALICRABZ-ZFWWWQNUSA-N 2 1 317.408 3.288 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651589 1091296877 /nfs/dbraw/zinc/29/68/77/1091296877.db2.gz HCTRDPKOBGGVGL-NEPJUHHUSA-N 2 1 314.832 3.295 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C[NH3+] ZINC001205651105 1091296918 /nfs/dbraw/zinc/29/69/18/1091296918.db2.gz AEWJGKXUTDTSJX-KBPBESRZSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C[NH3+] ZINC001205651107 1091296940 /nfs/dbraw/zinc/29/69/40/1091296940.db2.gz AEWJGKXUTDTSJX-UONOGXRCSA-N 2 1 301.409 3.181 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138717955 1091297566 /nfs/dbraw/zinc/29/75/66/1091297566.db2.gz VNYUTGFTWNYPND-UHFFFAOYSA-N 2 1 323.440 3.037 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC[C@H]1C[NH3+] ZINC001205652232 1091297901 /nfs/dbraw/zinc/29/79/01/1091297901.db2.gz OQKNAOBJHQVTJK-RDJZCZTQSA-N 2 1 319.468 3.233 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3[nH]ccc3c2)CC1 ZINC001138744362 1091311055 /nfs/dbraw/zinc/31/10/55/1091311055.db2.gz SDDJCBJGRRUVJD-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3[nH]ccc3c2)CC1 ZINC001138744362 1091311065 /nfs/dbraw/zinc/31/10/65/1091311065.db2.gz SDDJCBJGRRUVJD-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2nsnc21 ZINC001205685878 1091312342 /nfs/dbraw/zinc/31/23/42/1091312342.db2.gz ZZOHLLWBLKQEOV-UHFFFAOYSA-N 2 1 306.479 3.245 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001138768667 1091322233 /nfs/dbraw/zinc/32/22/33/1091322233.db2.gz AJZFFASPWSAHND-ROUUACIJSA-N 2 1 302.462 3.249 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCC1(F)F ZINC001205735273 1091325485 /nfs/dbraw/zinc/32/54/85/1091325485.db2.gz MEPOFIOIQCJURB-ZDUSSCGKSA-N 2 1 302.796 3.189 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCCc2ccccc2Cl)CCC1(F)F ZINC001205734960 1091326195 /nfs/dbraw/zinc/32/61/95/1091326195.db2.gz IDSNBWKRMGIOES-CYBMUJFWSA-N 2 1 302.796 3.189 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccccc2Cl)CCC1(F)F ZINC001205734960 1091326207 /nfs/dbraw/zinc/32/62/07/1091326207.db2.gz IDSNBWKRMGIOES-CYBMUJFWSA-N 2 1 302.796 3.189 20 0 DGADMP C[C@H]1CC[C@@H](CN)[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001205058935 1091377588 /nfs/dbraw/zinc/37/75/88/1091377588.db2.gz ZAKRWZHLGYTUMY-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001205058935 1091377609 /nfs/dbraw/zinc/37/76/09/1091377609.db2.gz ZAKRWZHLGYTUMY-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@]1(F)CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001205851938 1091380276 /nfs/dbraw/zinc/38/02/76/1091380276.db2.gz DCSPHGUOZMBUPX-LJQANCHMSA-N 2 1 315.436 3.459 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856714 1091381552 /nfs/dbraw/zinc/38/15/52/1091381552.db2.gz XZHWEMFCYDMDKA-MAUKXSAKSA-N 2 1 302.462 3.140 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856714 1091381559 /nfs/dbraw/zinc/38/15/59/1091381559.db2.gz XZHWEMFCYDMDKA-MAUKXSAKSA-N 2 1 302.462 3.140 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902501 1091399380 /nfs/dbraw/zinc/39/93/80/1091399380.db2.gz JXUPDSYNECFKSO-ZYHUDNBSSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001205902501 1091399387 /nfs/dbraw/zinc/39/93/87/1091399387.db2.gz JXUPDSYNECFKSO-ZYHUDNBSSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902715 1091400346 /nfs/dbraw/zinc/40/03/46/1091400346.db2.gz LEZWVAHGYNCYOQ-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902715 1091400357 /nfs/dbraw/zinc/40/03/57/1091400357.db2.gz LEZWVAHGYNCYOQ-JSGCOSHPSA-N 2 1 303.837 3.447 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(OCC)c1 ZINC001205904175 1091401154 /nfs/dbraw/zinc/40/11/54/1091401154.db2.gz SMIDLNHDSCNTGL-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(OCC)c1 ZINC001205904175 1091401164 /nfs/dbraw/zinc/40/11/64/1091401164.db2.gz SMIDLNHDSCNTGL-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001205903436 1091402232 /nfs/dbraw/zinc/40/22/32/1091402232.db2.gz OWGVGJSUPOBXJF-IEBWSBKVSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913917 1091406746 /nfs/dbraw/zinc/40/67/46/1091406746.db2.gz KNZDHSOCLHWABI-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913917 1091406749 /nfs/dbraw/zinc/40/67/49/1091406749.db2.gz KNZDHSOCLHWABI-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914100 1091406772 /nfs/dbraw/zinc/40/67/72/1091406772.db2.gz KZNCFTKAJOEFNS-CHWSQXEVSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914100 1091406775 /nfs/dbraw/zinc/40/67/75/1091406775.db2.gz KZNCFTKAJOEFNS-CHWSQXEVSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001205915655 1091409406 /nfs/dbraw/zinc/40/94/06/1091409406.db2.gz QBUAMCBRWGMTAQ-UONOGXRCSA-N 2 1 301.459 3.369 20 0 DGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205933086 1091420305 /nfs/dbraw/zinc/42/03/05/1091420305.db2.gz XRJLNZHSTDJRGZ-QGZVFWFLSA-N 2 1 320.440 3.339 20 0 DGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205933086 1091420312 /nfs/dbraw/zinc/42/03/12/1091420312.db2.gz XRJLNZHSTDJRGZ-QGZVFWFLSA-N 2 1 320.440 3.339 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(-c3cccc(N4CC[NH2+]CC4)c3)cc2)C1 ZINC001205943537 1091425660 /nfs/dbraw/zinc/42/56/60/1091425660.db2.gz POEQRSASGVEDPM-FQEVSTJZSA-N 2 1 321.468 3.182 20 0 DGADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CCC23CCCCC3)c1 ZINC001139056246 1091432476 /nfs/dbraw/zinc/43/24/76/1091432476.db2.gz ZNSZXKCNLJEVLW-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205994120 1091439041 /nfs/dbraw/zinc/43/90/41/1091439041.db2.gz JLKHEXATEYRCJY-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001205993024 1091439306 /nfs/dbraw/zinc/43/93/06/1091439306.db2.gz GTCKOOVPIHQONV-NWDGAFQWSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001205993021 1091439364 /nfs/dbraw/zinc/43/93/64/1091439364.db2.gz GTCKOOVPIHQONV-NEPJUHHUSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001205994118 1091439710 /nfs/dbraw/zinc/43/97/10/1091439710.db2.gz JLKHEXATEYRCJY-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CCC[C@H]1C[NH3+] ZINC001205992141 1091439957 /nfs/dbraw/zinc/43/99/57/1091439957.db2.gz DVZPJQBIRYWJCY-HIFRSBDPSA-N 2 1 317.408 3.288 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC001205992050 1091440243 /nfs/dbraw/zinc/44/02/43/1091440243.db2.gz CYUIUJPVXNXARS-KGLIPLIRSA-N 2 1 302.418 3.248 20 0 DGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CCC[C@@H]1C[NH3+] ZINC001206022744 1091455980 /nfs/dbraw/zinc/45/59/80/1091455980.db2.gz CPWZLOAWRNDMDQ-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CCC[C@H]1C[NH3+] ZINC001206022742 1091455996 /nfs/dbraw/zinc/45/59/96/1091455996.db2.gz CPWZLOAWRNDMDQ-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206037842 1091463779 /nfs/dbraw/zinc/46/37/79/1091463779.db2.gz XYNYWRLTQIMDCK-HUUCEWRRSA-N 2 1 308.441 3.420 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC001139148439 1091465466 /nfs/dbraw/zinc/46/54/66/1091465466.db2.gz CQWWXTICVAIKDI-UHFFFAOYSA-N 2 1 315.461 3.103 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC001139148439 1091465469 /nfs/dbraw/zinc/46/54/69/1091465469.db2.gz CQWWXTICVAIKDI-UHFFFAOYSA-N 2 1 315.461 3.103 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3ccn4CC)C[C@@H]2C1 ZINC001139155168 1091467840 /nfs/dbraw/zinc/46/78/40/1091467840.db2.gz IDGSVARXGDHELG-HDICACEKSA-N 2 1 311.473 3.435 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3ccn4CC)C[C@@H]2C1 ZINC001139155168 1091467846 /nfs/dbraw/zinc/46/78/46/1091467846.db2.gz IDGSVARXGDHELG-HDICACEKSA-N 2 1 311.473 3.435 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3ccn4CC)C[C@@H]2C1 ZINC001139155168 1091467849 /nfs/dbraw/zinc/46/78/49/1091467849.db2.gz IDGSVARXGDHELG-HDICACEKSA-N 2 1 311.473 3.435 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c2ccccc12 ZINC001206156248 1091512391 /nfs/dbraw/zinc/51/23/91/1091512391.db2.gz PHIJKUCFGRAWSJ-SJORKVTESA-N 2 1 302.393 3.110 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc12 ZINC001206156248 1091512398 /nfs/dbraw/zinc/51/23/98/1091512398.db2.gz PHIJKUCFGRAWSJ-SJORKVTESA-N 2 1 302.393 3.110 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@@H]1F ZINC001206175242 1091523460 /nfs/dbraw/zinc/52/34/60/1091523460.db2.gz SWXPEQMEUDHFDR-DLBZAZTESA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC[C@@H]1F ZINC001206175242 1091523463 /nfs/dbraw/zinc/52/34/63/1091523463.db2.gz SWXPEQMEUDHFDR-DLBZAZTESA-N 2 1 317.383 3.149 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(OC(F)(F)F)c1 ZINC001206185243 1091525519 /nfs/dbraw/zinc/52/55/19/1091525519.db2.gz MEANBCDMMRTSLA-KGLIPLIRSA-N 2 1 320.330 3.155 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)CC[C@@H]1F ZINC001206197875 1091530537 /nfs/dbraw/zinc/53/05/37/1091530537.db2.gz JPTSCRVYLBRPIB-LSDHHAIUSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)CC[C@@H]1F ZINC001206197875 1091530544 /nfs/dbraw/zinc/53/05/44/1091530544.db2.gz JPTSCRVYLBRPIB-LSDHHAIUSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@H]1F ZINC001206199676 1091531734 /nfs/dbraw/zinc/53/17/34/1091531734.db2.gz OWXSSUQIMJDWNQ-HUUCEWRRSA-N 2 1 323.799 3.256 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC[C@H]1F ZINC001206199676 1091531739 /nfs/dbraw/zinc/53/17/39/1091531739.db2.gz OWXSSUQIMJDWNQ-HUUCEWRRSA-N 2 1 323.799 3.256 20 0 DGADMP CC1(C[N@H+]2CCc3cc(Br)ccc3C2)CC[NH2+]CC1 ZINC001206285946 1091563730 /nfs/dbraw/zinc/56/37/30/1091563730.db2.gz PTWQBWZKOAIONA-UHFFFAOYSA-N 2 1 323.278 3.197 20 0 DGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297246 1091566044 /nfs/dbraw/zinc/56/60/44/1091566044.db2.gz WYQIHIKAHQIPMV-DNVCBOLYSA-N 2 1 318.461 3.045 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001206303168 1091568545 /nfs/dbraw/zinc/56/85/45/1091568545.db2.gz CDXODXVMEGCGAM-INIZCTEOSA-N 2 1 310.825 3.020 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+]1CCCC1 ZINC001206303119 1091569027 /nfs/dbraw/zinc/56/90/27/1091569027.db2.gz XAHXKAKLZXWCDN-MJGOQNOKSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001206303111 1091569703 /nfs/dbraw/zinc/56/97/03/1091569703.db2.gz BFXRTVYRHZBBME-INIZCTEOSA-N 2 1 316.367 3.378 20 0 DGADMP COc1ccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206304203 1091570081 /nfs/dbraw/zinc/57/00/81/1091570081.db2.gz HETJRABXHLTPMM-SFHVURJKSA-N 2 1 301.434 3.127 20 0 DGADMP COc1c(Cl)ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206305199 1091570899 /nfs/dbraw/zinc/57/08/99/1091570899.db2.gz VYFFZEDIMUBZBC-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206304533 1091571068 /nfs/dbraw/zinc/57/10/68/1091571068.db2.gz MHMAPSZHRSLAPG-IBGZPJMESA-N 2 1 312.461 3.132 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206304533 1091571078 /nfs/dbraw/zinc/57/10/78/1091571078.db2.gz MHMAPSZHRSLAPG-IBGZPJMESA-N 3 1 312.461 3.132 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206304533 1091571086 /nfs/dbraw/zinc/57/10/86/1091571086.db2.gz MHMAPSZHRSLAPG-IBGZPJMESA-N 3 1 312.461 3.132 20 0 DGADMP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318037 1091577607 /nfs/dbraw/zinc/57/76/07/1091577607.db2.gz LRFXRHOXOXONMQ-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP C[NH+](C)CCn1cc(-c2ccc3[nH]c4cc[nH+]cc4c3c2)cn1 ZINC001206378808 1091607112 /nfs/dbraw/zinc/60/71/12/1091607112.db2.gz LVSFEBVCUYMKLZ-UHFFFAOYSA-N 2 1 305.385 3.141 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC)c(C(C)C)c3)C[C@@H]2C1 ZINC001139619085 1091623574 /nfs/dbraw/zinc/62/35/74/1091623574.db2.gz VXPPAAQAGCJEAF-IRXDYDNUSA-N 2 1 302.462 3.202 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1CC ZINC001139623890 1091624220 /nfs/dbraw/zinc/62/42/20/1091624220.db2.gz QLQLYJWUTFCSGW-UHFFFAOYSA-N 2 1 304.478 3.421 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2-c2cncnc2)C1 ZINC001206556652 1091668758 /nfs/dbraw/zinc/66/87/58/1091668758.db2.gz UULRVELRSGHLEJ-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001206564532 1091671339 /nfs/dbraw/zinc/67/13/39/1091671339.db2.gz QIBJRMAWRGMLMQ-FQEVSTJZSA-N 2 1 311.473 3.487 20 0 DGADMP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(OC)c1C ZINC001206581500 1091676378 /nfs/dbraw/zinc/67/63/78/1091676378.db2.gz JLZZSWFPQGNZLE-QGZVFWFLSA-N 2 1 320.477 3.365 20 0 DGADMP CC(C)[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC001206590976 1091680956 /nfs/dbraw/zinc/68/09/56/1091680956.db2.gz OMTUGPRLWHCDBJ-AWEZNQCLSA-N 2 1 324.852 3.421 20 0 DGADMP COc1cc(C)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC001206589514 1091681463 /nfs/dbraw/zinc/68/14/63/1091681463.db2.gz HPFAXUVPRBUIQE-KRWDZBQOSA-N 2 1 320.477 3.365 20 0 DGADMP COCc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)s1 ZINC001139829459 1091683366 /nfs/dbraw/zinc/68/33/66/1091683366.db2.gz MXTKKTCDGMQSCH-CQSZACIVSA-N 2 1 318.442 3.251 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001206640329 1091696350 /nfs/dbraw/zinc/69/63/50/1091696350.db2.gz ISHNIVJAYVGLKA-KRWDZBQOSA-N 2 1 311.429 3.435 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn4ccc(Cl)cc4n3)(C1)CCC2 ZINC001276491507 1091708623 /nfs/dbraw/zinc/70/86/23/1091708623.db2.gz IMCJTCHRHVOFSW-DLBZAZTESA-N 2 1 318.852 3.142 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001206767618 1091730427 /nfs/dbraw/zinc/73/04/27/1091730427.db2.gz CNNGFWAUAMYFJH-NVXWUHKLSA-N 2 1 311.473 3.465 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1OCC ZINC001206768682 1091731432 /nfs/dbraw/zinc/73/14/32/1091731432.db2.gz LJVOTKXLMQEGMD-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1OCC ZINC001206768678 1091731903 /nfs/dbraw/zinc/73/19/03/1091731903.db2.gz LJVOTKXLMQEGMD-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OCC)c1 ZINC001206768079 1091732302 /nfs/dbraw/zinc/73/23/02/1091732302.db2.gz GTORFBZOXMZJFJ-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OCC)c1 ZINC001206768079 1091732310 /nfs/dbraw/zinc/73/23/10/1091732310.db2.gz GTORFBZOXMZJFJ-HUUCEWRRSA-N 2 1 306.450 3.043 20 0 DGADMP c1ccc2cc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)ncc2c1 ZINC001140001729 1091736253 /nfs/dbraw/zinc/73/62/53/1091736253.db2.gz YTRUMISLXBPQJK-IBGZPJMESA-N 2 1 305.381 3.283 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC001140023608 1091742487 /nfs/dbraw/zinc/74/24/87/1091742487.db2.gz SFQAUMVOGTZMDS-UHFFFAOYSA-N 2 1 324.472 3.241 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc(O)ccc1F ZINC001140051475 1091749455 /nfs/dbraw/zinc/74/94/55/1091749455.db2.gz JTKOWYYCTHDEKO-JKSUJKDBSA-N 2 1 306.425 3.370 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc(O)ccc1F ZINC001140051474 1091749939 /nfs/dbraw/zinc/74/99/39/1091749939.db2.gz JTKOWYYCTHDEKO-HOTGVXAUSA-N 2 1 306.425 3.370 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCC[NH+](C)C1 ZINC001276496812 1091760672 /nfs/dbraw/zinc/76/06/72/1091760672.db2.gz MQHWIZCVBXHFPH-ZGXWSNOMSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC001276496812 1091760679 /nfs/dbraw/zinc/76/06/79/1091760679.db2.gz MQHWIZCVBXHFPH-ZGXWSNOMSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276496812 1091760687 /nfs/dbraw/zinc/76/06/87/1091760687.db2.gz MQHWIZCVBXHFPH-ZGXWSNOMSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCC[NH+](C)C1 ZINC001276496811 1091760986 /nfs/dbraw/zinc/76/09/86/1091760986.db2.gz MQHWIZCVBXHFPH-WTGUMLROSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC001276496811 1091760994 /nfs/dbraw/zinc/76/09/94/1091760994.db2.gz MQHWIZCVBXHFPH-WTGUMLROSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276496811 1091761000 /nfs/dbraw/zinc/76/10/00/1091761000.db2.gz MQHWIZCVBXHFPH-WTGUMLROSA-N 2 1 321.553 3.303 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000164120262 1091782525 /nfs/dbraw/zinc/78/25/25/1091782525.db2.gz OYXNPRTUDDDRDN-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000164120262 1091782535 /nfs/dbraw/zinc/78/25/35/1091782535.db2.gz OYXNPRTUDDDRDN-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000164120389 1091782629 /nfs/dbraw/zinc/78/26/29/1091782629.db2.gz OYXNPRTUDDDRDN-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC000164120389 1091782635 /nfs/dbraw/zinc/78/26/35/1091782635.db2.gz OYXNPRTUDDDRDN-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP c1[nH+]c(CN2CCC[N@H+](Cc3ccccc3)CC2)n2ccccc12 ZINC001207052000 1091830489 /nfs/dbraw/zinc/83/04/89/1091830489.db2.gz VPXUQUKGFJLSSS-UHFFFAOYSA-N 2 1 320.440 3.042 20 0 DGADMP c1[nH+]c(CN2CCC[N@@H+](Cc3ccccc3)CC2)n2ccccc12 ZINC001207052000 1091830495 /nfs/dbraw/zinc/83/04/95/1091830495.db2.gz VPXUQUKGFJLSSS-UHFFFAOYSA-N 2 1 320.440 3.042 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)C1 ZINC001140381570 1091844155 /nfs/dbraw/zinc/84/41/55/1091844155.db2.gz DPZZXQLZGXFFJZ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)C1 ZINC001140381570 1091844160 /nfs/dbraw/zinc/84/41/60/1091844160.db2.gz DPZZXQLZGXFFJZ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP c1cc2n(c1)CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291504 1091913841 /nfs/dbraw/zinc/91/38/41/1091913841.db2.gz QKBABZIHLXNLSX-UHFFFAOYSA-N 2 1 309.457 3.216 20 0 DGADMP FC[C@H]1[C@@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001207292578 1091913881 /nfs/dbraw/zinc/91/38/81/1091913881.db2.gz VJPIYGMGAFAQJZ-LDLYASANSA-N 2 1 302.437 3.046 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001207399667 1091955183 /nfs/dbraw/zinc/95/51/83/1091955183.db2.gz QJEMIFQRMYCBJX-SFHVURJKSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001207399616 1091955264 /nfs/dbraw/zinc/95/52/64/1091955264.db2.gz PGDHEYQESMPVOH-KRWDZBQOSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC(C[N@@H+](CCCCCCO)Cc2ccccc2)CC1 ZINC001207401109 1091955805 /nfs/dbraw/zinc/95/58/05/1091955805.db2.gz LSQQPSCBDLOPKF-UHFFFAOYSA-N 2 1 318.505 3.383 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001140701622 1091964092 /nfs/dbraw/zinc/96/40/92/1091964092.db2.gz TZHNHSQWMDKQEG-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP Brc1ccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207438698 1091969280 /nfs/dbraw/zinc/96/92/80/1091969280.db2.gz DUCILEDFQUHAGZ-OAHLLOKOSA-N 2 1 323.278 3.238 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001207484964 1091984371 /nfs/dbraw/zinc/98/43/71/1091984371.db2.gz PGWYMIWQJXSJBJ-IBGZPJMESA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001207488023 1091986786 /nfs/dbraw/zinc/98/67/86/1091986786.db2.gz CCISOMGGCJTBPB-SFHVURJKSA-N 2 1 306.425 3.011 20 0 DGADMP CC(C)(O)C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140805875 1092011448 /nfs/dbraw/zinc/01/14/48/1092011448.db2.gz PAYLWQRDANWSPY-UHFFFAOYSA-N 2 1 309.413 3.336 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140805875 1092011457 /nfs/dbraw/zinc/01/14/57/1092011457.db2.gz PAYLWQRDANWSPY-UHFFFAOYSA-N 2 1 309.413 3.336 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1N ZINC001140899376 1092056871 /nfs/dbraw/zinc/05/68/71/1092056871.db2.gz JOXMVKCYDYQCAU-QGZVFWFLSA-N 2 1 317.477 3.118 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC001140969168 1092090500 /nfs/dbraw/zinc/09/05/00/1092090500.db2.gz XGFKNOOFBBYVJX-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP C[C@@H]1CC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001207814569 1092108080 /nfs/dbraw/zinc/10/80/80/1092108080.db2.gz YNNCYPUPCJORHD-RHSMWYFYSA-N 2 1 310.445 3.197 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCO4)CC[C@H]3C2)cc1 ZINC001207896659 1092132547 /nfs/dbraw/zinc/13/25/47/1092132547.db2.gz RUAROUXOODALNS-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@H]3C2)cc1 ZINC001207896659 1092132548 /nfs/dbraw/zinc/13/25/48/1092132548.db2.gz RUAROUXOODALNS-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)CC[C@H]3C2)cc1 ZINC001207896659 1092132552 /nfs/dbraw/zinc/13/25/52/1092132552.db2.gz RUAROUXOODALNS-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCN(C[C@H]2CCCCO2)CC1 ZINC001207956379 1092157073 /nfs/dbraw/zinc/15/70/73/1092157073.db2.gz KILVGUHLSPUYFA-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207956379 1092157079 /nfs/dbraw/zinc/15/70/79/1092157079.db2.gz KILVGUHLSPUYFA-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP c1n[nH]cc1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001203099608 1092160656 /nfs/dbraw/zinc/16/06/56/1092160656.db2.gz PJNFKJVIOUTPJA-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP C[NH+](C)CC1(C[N@H+](C)CCCC(=O)c2cccnc2)CCCC1 ZINC001208185596 1092247452 /nfs/dbraw/zinc/24/74/52/1092247452.db2.gz GNIYYSTXAGBXNG-UHFFFAOYSA-N 2 1 317.477 3.098 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](C)CCCC(=O)c2cccnc2)CCCC1 ZINC001208185596 1092247463 /nfs/dbraw/zinc/24/74/63/1092247463.db2.gz GNIYYSTXAGBXNG-UHFFFAOYSA-N 2 1 317.477 3.098 20 0 DGADMP COc1cccc(CC[N@@H+](C)CC2(C[NH+](C)C)CCCC2)c1 ZINC001208186151 1092248750 /nfs/dbraw/zinc/24/87/50/1092248750.db2.gz NNEMBDXVDZFBHH-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP CN(C)CC1(C[N@H+](C2CCCC2)C2CCN(C)CC2)CCCC1 ZINC001208189612 1092251929 /nfs/dbraw/zinc/25/19/29/1092251929.db2.gz WBAHRWRKSGBOLV-UHFFFAOYSA-N 3 1 321.553 3.447 20 0 DGADMP CN(C)CC1(C[N@@H+](C2CCCC2)C2CCN(C)CC2)CCCC1 ZINC001208189612 1092251943 /nfs/dbraw/zinc/25/19/43/1092251943.db2.gz WBAHRWRKSGBOLV-UHFFFAOYSA-N 3 1 321.553 3.447 20 0 DGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001208191444 1092252524 /nfs/dbraw/zinc/25/25/24/1092252524.db2.gz WCPGIIJKKVVCHH-WYNBNGFRSA-N 2 1 307.526 3.223 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)CCCC1 ZINC001208188277 1092252953 /nfs/dbraw/zinc/25/29/53/1092252953.db2.gz VLDKCNKOOWRAGD-SFHVURJKSA-N 2 1 314.473 3.313 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CCCC1 ZINC001208188277 1092252966 /nfs/dbraw/zinc/25/29/66/1092252966.db2.gz VLDKCNKOOWRAGD-SFHVURJKSA-N 2 1 314.473 3.313 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208212978 1092271396 /nfs/dbraw/zinc/27/13/96/1092271396.db2.gz LDFZNSQFXBKVBE-KURKYZTESA-N 2 1 310.526 3.491 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208212978 1092271408 /nfs/dbraw/zinc/27/14/08/1092271408.db2.gz LDFZNSQFXBKVBE-KURKYZTESA-N 2 1 310.526 3.491 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208212978 1092271419 /nfs/dbraw/zinc/27/14/19/1092271419.db2.gz LDFZNSQFXBKVBE-KURKYZTESA-N 2 1 310.526 3.491 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208278809 1092298087 /nfs/dbraw/zinc/29/80/87/1092298087.db2.gz BIVAZAFWIBLMSM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc4cc(F)ccc4n3)C[C@H]2C1 ZINC001141652333 1092310708 /nfs/dbraw/zinc/31/07/08/1092310708.db2.gz JWLMLOVDZCRVAK-IYBDPMFKSA-N 2 1 313.420 3.148 20 0 DGADMP CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588439 1092414002 /nfs/dbraw/zinc/41/40/02/1092414002.db2.gz HWEPKKNNOLALDJ-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC001208592061 1092416348 /nfs/dbraw/zinc/41/63/48/1092416348.db2.gz CIXQPRBYVDXXSU-UHFFFAOYSA-N 2 1 315.383 3.264 20 0 DGADMP CC[NH+]1CCC(C[NH+](Cc2ccccn2)Cc2ccccn2)CC1 ZINC001208595440 1092419185 /nfs/dbraw/zinc/41/91/85/1092419185.db2.gz SVLGXHPTQFNHPE-UHFFFAOYSA-N 2 1 324.472 3.211 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3nc4ccccc4o3)CC2)C1 ZINC001208604636 1092422677 /nfs/dbraw/zinc/42/26/77/1092422677.db2.gz RGEFZKOVLILULW-HNNXBMFYSA-N 2 1 313.445 3.349 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC001208607309 1092425066 /nfs/dbraw/zinc/42/50/66/1092425066.db2.gz LMMHZRZOEPLZKA-OAHLLOKOSA-N 2 1 306.425 3.011 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208606968 1092425167 /nfs/dbraw/zinc/42/51/67/1092425167.db2.gz KAWZCCJKDDVVAQ-YJBOKZPZSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208606968 1092425172 /nfs/dbraw/zinc/42/51/72/1092425172.db2.gz KAWZCCJKDDVVAQ-YJBOKZPZSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208606968 1092425180 /nfs/dbraw/zinc/42/51/80/1092425180.db2.gz KAWZCCJKDDVVAQ-YJBOKZPZSA-N 2 1 320.502 3.127 20 0 DGADMP COc1ccc([C@@H]2CSCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208606968 1092425187 /nfs/dbraw/zinc/42/51/87/1092425187.db2.gz KAWZCCJKDDVVAQ-YJBOKZPZSA-N 2 1 320.502 3.127 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CCc4c3cccc4F)C2)C1 ZINC001208614663 1092427273 /nfs/dbraw/zinc/42/72/73/1092427273.db2.gz MPFIRTXBTOXPKQ-JXFKEZNVSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)C1 ZINC001208614663 1092427279 /nfs/dbraw/zinc/42/72/79/1092427279.db2.gz MPFIRTXBTOXPKQ-JXFKEZNVSA-N 2 1 316.464 3.447 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)C1 ZINC001208614663 1092427290 /nfs/dbraw/zinc/42/72/90/1092427290.db2.gz MPFIRTXBTOXPKQ-JXFKEZNVSA-N 2 1 316.464 3.447 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3ccc(F)cc3F)CC2)C1 ZINC001208614834 1092427655 /nfs/dbraw/zinc/42/76/55/1092427655.db2.gz OSPAEVQHTBJMAK-AWEZNQCLSA-N 2 1 308.416 3.486 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001208615068 1092428578 /nfs/dbraw/zinc/42/85/78/1092428578.db2.gz HHLDFUHWFSRIQI-ROUUACIJSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001208615068 1092428586 /nfs/dbraw/zinc/42/85/86/1092428586.db2.gz HHLDFUHWFSRIQI-ROUUACIJSA-N 2 1 304.453 3.422 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001208615068 1092428594 /nfs/dbraw/zinc/42/85/94/1092428594.db2.gz HHLDFUHWFSRIQI-ROUUACIJSA-N 2 1 304.453 3.422 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001208615997 1092430529 /nfs/dbraw/zinc/43/05/29/1092430529.db2.gz JGFONQIQTGNJTQ-YOEHRIQHSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001208615997 1092430539 /nfs/dbraw/zinc/43/05/39/1092430539.db2.gz JGFONQIQTGNJTQ-YOEHRIQHSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001208615997 1092430552 /nfs/dbraw/zinc/43/05/52/1092430552.db2.gz JGFONQIQTGNJTQ-YOEHRIQHSA-N 2 1 308.466 3.334 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(COc3ccc(F)cc3)CC2)C1 ZINC001208615532 1092431267 /nfs/dbraw/zinc/43/12/67/1092431267.db2.gz HOKAPWWSHUXSEU-KRWDZBQOSA-N 2 1 320.452 3.258 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208617385 1092431758 /nfs/dbraw/zinc/43/17/58/1092431758.db2.gz OVZHIPYMSZNNTA-MOPGFXCFSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208617385 1092431763 /nfs/dbraw/zinc/43/17/63/1092431763.db2.gz OVZHIPYMSZNNTA-MOPGFXCFSA-N 2 1 316.489 3.292 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC001208617385 1092431771 /nfs/dbraw/zinc/43/17/71/1092431771.db2.gz OVZHIPYMSZNNTA-MOPGFXCFSA-N 2 1 316.489 3.292 20 0 DGADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001208631017 1092436610 /nfs/dbraw/zinc/43/66/10/1092436610.db2.gz NGAGRYHLWPXFTO-SAABIXHNSA-N 2 1 324.509 3.018 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001208680569 1092451384 /nfs/dbraw/zinc/45/13/84/1092451384.db2.gz FJJDYGYAIZQFFO-KRWDZBQOSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CCC[C@H]1C[NH3+] ZINC001205996199 1092459081 /nfs/dbraw/zinc/45/90/81/1092459081.db2.gz WACLFCSPWFLSJV-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@H]1C[NH3+] ZINC001205996199 1092459088 /nfs/dbraw/zinc/45/90/88/1092459088.db2.gz WACLFCSPWFLSJV-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CCC[C@H]1C[NH3+] ZINC001205996199 1092459092 /nfs/dbraw/zinc/45/90/92/1092459092.db2.gz WACLFCSPWFLSJV-NEPJUHHUSA-N 2 1 306.841 3.023 20 0 DGADMP C[C@@H](C[NH+]1CCC([N@H+](C)C2CC2)CC1)OCc1ccccc1 ZINC001208702378 1092464166 /nfs/dbraw/zinc/46/41/66/1092464166.db2.gz LJTPFXHFOWIZLI-INIZCTEOSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H](C[NH+]1CCC([N@@H+](C)C2CC2)CC1)OCc1ccccc1 ZINC001208702378 1092464188 /nfs/dbraw/zinc/46/41/88/1092464188.db2.gz LJTPFXHFOWIZLI-INIZCTEOSA-N 2 1 302.462 3.150 20 0 DGADMP CC/C=C\CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001208726476 1092473550 /nfs/dbraw/zinc/47/35/50/1092473550.db2.gz XAASJSATQHOQCT-KEGWNNHHSA-N 2 1 322.493 3.082 20 0 DGADMP CC/C=C\CC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001208727957 1092476199 /nfs/dbraw/zinc/47/61/99/1092476199.db2.gz KKLKZJPLSGAYOG-IFEVLTCRSA-N 2 1 306.494 3.166 20 0 DGADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001208727957 1092476204 /nfs/dbraw/zinc/47/62/04/1092476204.db2.gz KKLKZJPLSGAYOG-IFEVLTCRSA-N 2 1 306.494 3.166 20 0 DGADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001208727957 1092476208 /nfs/dbraw/zinc/47/62/08/1092476208.db2.gz KKLKZJPLSGAYOG-IFEVLTCRSA-N 2 1 306.494 3.166 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccccc1)c1ccncc1)C2 ZINC001169094954 1092523557 /nfs/dbraw/zinc/52/35/57/1092523557.db2.gz NZHJCNIEOOONFY-IYWMVGAKSA-N 2 1 307.441 3.386 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3c3c1CC[C@H]([NH3+])C3)C2 ZINC001169100523 1092529544 /nfs/dbraw/zinc/52/95/44/1092529544.db2.gz KLDQFGBPXOIPOX-CAOSSQGBSA-N 2 1 309.457 3.255 20 0 DGADMP COc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169116240 1092540749 /nfs/dbraw/zinc/54/07/49/1092540749.db2.gz PHKFHKHXKJNQML-NNZMDNLPSA-N 2 1 314.473 3.375 20 0 DGADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110183 1092552935 /nfs/dbraw/zinc/55/29/35/1092552935.db2.gz LJJNJDIFUILKKG-LUKYLMHMSA-N 2 1 324.509 3.348 20 0 DGADMP CSc1ccccc1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107863 1092553701 /nfs/dbraw/zinc/55/37/01/1092553701.db2.gz LNHLJULHXPGDSU-QDMKHBRRSA-N 2 1 306.475 3.002 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)C2 ZINC001169108625 1092553885 /nfs/dbraw/zinc/55/38/85/1092553885.db2.gz UEFSNBBCEIZGQJ-LDLYASANSA-N 2 1 313.489 3.392 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OCc1ccccc13)C2 ZINC001169142820 1092558129 /nfs/dbraw/zinc/55/81/29/1092558129.db2.gz WHYIMMBQCWLVGY-PIIMJCKOSA-N 2 1 312.457 3.133 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Sc3ccncc3)CC1)C2 ZINC001169143633 1092558529 /nfs/dbraw/zinc/55/85/29/1092558529.db2.gz GZGUJEFQHXFUJD-MUJYYYPQSA-N 2 1 317.502 3.263 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142387 1092558977 /nfs/dbraw/zinc/55/89/77/1092558977.db2.gz UCJQPGPUPHRBNN-SFNKJDCFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142387 1092558985 /nfs/dbraw/zinc/55/89/85/1092558985.db2.gz UCJQPGPUPHRBNN-SFNKJDCFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142387 1092558990 /nfs/dbraw/zinc/55/89/90/1092558990.db2.gz UCJQPGPUPHRBNN-SFNKJDCFSA-N 2 1 300.446 3.457 20 0 DGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCC=CO2)CC3)co1 ZINC001208882774 1092561969 /nfs/dbraw/zinc/56/19/69/1092561969.db2.gz CHHKLHQJAQPZST-GOSISDBHSA-N 2 1 316.445 3.260 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208881879 1092563542 /nfs/dbraw/zinc/56/35/42/1092563542.db2.gz YXEYRADCVCBXHM-ZCNNSNEGSA-N 2 1 312.457 3.051 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208881879 1092563551 /nfs/dbraw/zinc/56/35/51/1092563551.db2.gz YXEYRADCVCBXHM-ZCNNSNEGSA-N 2 1 312.457 3.051 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC001208881879 1092563559 /nfs/dbraw/zinc/56/35/59/1092563559.db2.gz YXEYRADCVCBXHM-ZCNNSNEGSA-N 2 1 312.457 3.051 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169148836 1092563522 /nfs/dbraw/zinc/56/35/22/1092563522.db2.gz ZZOZHHJOXLTDNP-FAJBIJEISA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169148836 1092563531 /nfs/dbraw/zinc/56/35/31/1092563531.db2.gz ZZOZHHJOXLTDNP-FAJBIJEISA-N 2 1 300.446 3.457 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169148836 1092563537 /nfs/dbraw/zinc/56/35/37/1092563537.db2.gz ZZOZHHJOXLTDNP-FAJBIJEISA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169156277 1092569286 /nfs/dbraw/zinc/56/92/86/1092569286.db2.gz WPHIDYIWPBXHJZ-BGTYHANMSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156277 1092569300 /nfs/dbraw/zinc/56/93/00/1092569300.db2.gz WPHIDYIWPBXHJZ-BGTYHANMSA-N 2 1 302.462 3.183 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156277 1092569309 /nfs/dbraw/zinc/56/93/09/1092569309.db2.gz WPHIDYIWPBXHJZ-BGTYHANMSA-N 2 1 302.462 3.183 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004385 1092582166 /nfs/dbraw/zinc/58/21/66/1092582166.db2.gz RYTMKJRAXSFTNP-WDEREUQCSA-N 2 1 302.249 3.195 20 0 DGADMP c1cn2cccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c2n1 ZINC001142956767 1092594852 /nfs/dbraw/zinc/59/48/52/1092594852.db2.gz ZZPLPJSEXZYFBZ-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP c1cn2cccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c2n1 ZINC001142956767 1092594861 /nfs/dbraw/zinc/59/48/61/1092594861.db2.gz ZZPLPJSEXZYFBZ-SFHVURJKSA-N 2 1 312.461 3.175 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4OCC[C@@H]4C3)C2)cc1 ZINC001208939890 1092598915 /nfs/dbraw/zinc/59/89/15/1092598915.db2.gz KXZIUSNHDSUOCN-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)C2)cc1 ZINC001208939890 1092598922 /nfs/dbraw/zinc/59/89/22/1092598922.db2.gz KXZIUSNHDSUOCN-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@H]4OCC[C@@H]4C3)C2)cc1 ZINC001208939890 1092598931 /nfs/dbraw/zinc/59/89/31/1092598931.db2.gz KXZIUSNHDSUOCN-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP OCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208945228 1092602833 /nfs/dbraw/zinc/60/28/33/1092602833.db2.gz BNSZTERZMMZCNH-OAQYLSRUSA-N 2 1 324.468 3.003 20 0 DGADMP OCC[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208945228 1092602837 /nfs/dbraw/zinc/60/28/37/1092602837.db2.gz BNSZTERZMMZCNH-OAQYLSRUSA-N 2 1 324.468 3.003 20 0 DGADMP OCC[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945228 1092602838 /nfs/dbraw/zinc/60/28/38/1092602838.db2.gz BNSZTERZMMZCNH-OAQYLSRUSA-N 2 1 324.468 3.003 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208941570 1092603011 /nfs/dbraw/zinc/60/30/11/1092603011.db2.gz BICSQNDWMJHJOW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208941570 1092603015 /nfs/dbraw/zinc/60/30/15/1092603015.db2.gz BICSQNDWMJHJOW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208941570 1092603017 /nfs/dbraw/zinc/60/30/17/1092603017.db2.gz BICSQNDWMJHJOW-ZCNNSNEGSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C)C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCCO1 ZINC001208947837 1092606800 /nfs/dbraw/zinc/60/68/00/1092606800.db2.gz DKOLSNAWHURQFP-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CC1(C)C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC001208947837 1092606802 /nfs/dbraw/zinc/60/68/02/1092606802.db2.gz DKOLSNAWHURQFP-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CC1(C)C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC001208947837 1092606805 /nfs/dbraw/zinc/60/68/05/1092606805.db2.gz DKOLSNAWHURQFP-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC(n2ccc([C@H](C)[NH2+]Cc3ccccc3)n2)CC1 ZINC001169264536 1092607605 /nfs/dbraw/zinc/60/76/05/1092607605.db2.gz HIVSMEJJIGLQKL-INIZCTEOSA-N 2 1 312.461 3.391 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@@H](c4ccccn4)C3)C2)cc1 ZINC001208949658 1092608976 /nfs/dbraw/zinc/60/89/76/1092608976.db2.gz MWFSYFFJVBAGMH-WOJBJXKFSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@H](c4ccccn4)C3)C2)cc1 ZINC001208949658 1092608982 /nfs/dbraw/zinc/60/89/82/1092608982.db2.gz MWFSYFFJVBAGMH-WOJBJXKFSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@H](c4ccccn4)C3)C2)cc1 ZINC001208949658 1092608987 /nfs/dbraw/zinc/60/89/87/1092608987.db2.gz MWFSYFFJVBAGMH-WOJBJXKFSA-N 2 1 321.468 3.393 20 0 DGADMP CC[NH+]1CCC([NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001169265678 1092609585 /nfs/dbraw/zinc/60/95/85/1092609585.db2.gz OVRYBCKJLDPCHP-UHFFFAOYSA-N 2 1 314.473 3.035 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CCCO4)CC3)C2)cc1 ZINC001208949579 1092609773 /nfs/dbraw/zinc/60/97/73/1092609773.db2.gz LRCZXHIPZUMNFQ-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP c1cnn(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208952470 1092610066 /nfs/dbraw/zinc/61/00/66/1092610066.db2.gz JOHWGQGCJQIGHR-LJQANCHMSA-N 2 1 324.472 3.042 20 0 DGADMP CC(C)[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961596 1092611266 /nfs/dbraw/zinc/61/12/66/1092611266.db2.gz GZTOTCZHJKUZMR-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961596 1092611270 /nfs/dbraw/zinc/61/12/70/1092611270.db2.gz GZTOTCZHJKUZMR-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961596 1092611273 /nfs/dbraw/zinc/61/12/73/1092611273.db2.gz GZTOTCZHJKUZMR-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208961596 1092611279 /nfs/dbraw/zinc/61/12/79/1092611279.db2.gz GZTOTCZHJKUZMR-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001169242197 1092613288 /nfs/dbraw/zinc/61/32/88/1092613288.db2.gz YRSDIYWMAQLDCW-UHFFFAOYSA-N 2 1 322.880 3.420 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC1 ZINC001169258526 1092620862 /nfs/dbraw/zinc/62/08/62/1092620862.db2.gz LHGHJVPEXRVQAV-LJQANCHMSA-N 2 1 318.461 3.023 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC1 ZINC001169258526 1092620866 /nfs/dbraw/zinc/62/08/66/1092620866.db2.gz LHGHJVPEXRVQAV-LJQANCHMSA-N 2 1 318.461 3.023 20 0 DGADMP c1cc2nonc2c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203136033 1092645907 /nfs/dbraw/zinc/64/59/07/1092645907.db2.gz HSAHWVBIAHYVRU-MRXNPFEDSA-N 2 1 314.433 3.063 20 0 DGADMP c1cc2nonc2c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203136033 1092645913 /nfs/dbraw/zinc/64/59/13/1092645913.db2.gz HSAHWVBIAHYVRU-MRXNPFEDSA-N 2 1 314.433 3.063 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209094900 1092650026 /nfs/dbraw/zinc/65/00/26/1092650026.db2.gz JCSDSMWJHOWPHS-MSOLQXFVSA-N 2 1 324.509 3.164 20 0 DGADMP COC(=O)CCCCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209094900 1092650030 /nfs/dbraw/zinc/65/00/30/1092650030.db2.gz JCSDSMWJHOWPHS-MSOLQXFVSA-N 2 1 324.509 3.164 20 0 DGADMP COC(=O)CCCCCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209094900 1092650035 /nfs/dbraw/zinc/65/00/35/1092650035.db2.gz JCSDSMWJHOWPHS-MSOLQXFVSA-N 2 1 324.509 3.164 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001209116978 1092658404 /nfs/dbraw/zinc/65/84/04/1092658404.db2.gz RJVLUOKANFWBIA-CABCVRRESA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001209116978 1092658406 /nfs/dbraw/zinc/65/84/06/1092658406.db2.gz RJVLUOKANFWBIA-CABCVRRESA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001209116978 1092658411 /nfs/dbraw/zinc/65/84/11/1092658411.db2.gz RJVLUOKANFWBIA-CABCVRRESA-N 2 1 312.379 3.131 20 0 DGADMP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276617411 1092664596 /nfs/dbraw/zinc/66/45/96/1092664596.db2.gz RMUNGKXJVNKLDT-CALCHBBNSA-N 2 1 317.477 3.378 20 0 DGADMP Cc1noc(C)c1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276617411 1092664600 /nfs/dbraw/zinc/66/46/00/1092664600.db2.gz RMUNGKXJVNKLDT-CALCHBBNSA-N 2 1 317.477 3.378 20 0 DGADMP Cc1noc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276617411 1092664607 /nfs/dbraw/zinc/66/46/07/1092664607.db2.gz RMUNGKXJVNKLDT-CALCHBBNSA-N 2 1 317.477 3.378 20 0 DGADMP CC(=O)OC(C)(C)CCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209154106 1092673854 /nfs/dbraw/zinc/67/38/54/1092673854.db2.gz JNVDCPJDDXKIJH-GOSISDBHSA-N 2 1 324.509 3.449 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCOCc3ccccc3)CC2)C1 ZINC001276638328 1092745826 /nfs/dbraw/zinc/74/58/26/1092745826.db2.gz UWASHPMPHHYQKY-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001206632869 1092764470 /nfs/dbraw/zinc/76/44/70/1092764470.db2.gz PLPPZFVHJCEKGM-OAHLLOKOSA-N 2 1 313.420 3.449 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(F)c1O ZINC001209534464 1092811534 /nfs/dbraw/zinc/81/15/34/1092811534.db2.gz QFKFUFLZVCSSHV-UHFFFAOYSA-N 2 1 324.440 3.092 20 0 DGADMP c1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566645 1092826766 /nfs/dbraw/zinc/82/67/66/1092826766.db2.gz PMAFCTVFJNSTAV-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566645 1092826772 /nfs/dbraw/zinc/82/67/72/1092826772.db2.gz PMAFCTVFJNSTAV-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566645 1092826779 /nfs/dbraw/zinc/82/67/79/1092826779.db2.gz PMAFCTVFJNSTAV-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566645 1092826786 /nfs/dbraw/zinc/82/67/86/1092826786.db2.gz PMAFCTVFJNSTAV-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001209566645 1092826795 /nfs/dbraw/zinc/82/67/95/1092826795.db2.gz PMAFCTVFJNSTAV-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP C[NH+](C)CC(C)(C)CN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276658868 1092848616 /nfs/dbraw/zinc/84/86/16/1092848616.db2.gz YTNDNLWFDWTHLR-FQEVSTJZSA-N 2 1 321.553 3.305 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001209733647 1092895222 /nfs/dbraw/zinc/89/52/22/1092895222.db2.gz QOXZZOJVCJLPHO-IBGZPJMESA-N 2 1 311.404 3.113 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001209733647 1092895233 /nfs/dbraw/zinc/89/52/33/1092895233.db2.gz QOXZZOJVCJLPHO-IBGZPJMESA-N 2 1 311.404 3.113 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cn(C)c3ncccc23)CC1 ZINC001209748102 1092900773 /nfs/dbraw/zinc/90/07/73/1092900773.db2.gz CBICFRFCPQVCJU-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP Fc1cc(Cl)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265932 1093101593 /nfs/dbraw/zinc/10/15/93/1093101593.db2.gz DWGRAUSARVHQKZ-UHFFFAOYSA-N 2 1 306.772 3.027 20 0 DGADMP C[C@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001210475791 1093180610 /nfs/dbraw/zinc/18/06/10/1093180610.db2.gz OSODPQOVNKYJHY-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001210475791 1093180611 /nfs/dbraw/zinc/18/06/11/1093180611.db2.gz OSODPQOVNKYJHY-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210583986 1093219051 /nfs/dbraw/zinc/21/90/51/1093219051.db2.gz BOCJZGILMSPCIY-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210703726 1093253222 /nfs/dbraw/zinc/25/32/22/1093253222.db2.gz DHEXAONVPFJLOC-ZDUSSCGKSA-N 2 1 311.351 3.466 20 0 DGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC1CC[NH+](C)CC1 ZINC001276696004 1093416585 /nfs/dbraw/zinc/41/65/85/1093416585.db2.gz JEDTZXRLKSQKOR-RLLQIKCJSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+]2CC1CC[NH+](C)CC1 ZINC001276696004 1093416590 /nfs/dbraw/zinc/41/65/90/1093416590.db2.gz JEDTZXRLKSQKOR-RLLQIKCJSA-N 2 1 321.553 3.303 20 0 DGADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+]2CC1CC[NH+](C)CC1 ZINC001276696004 1093416597 /nfs/dbraw/zinc/41/65/97/1093416597.db2.gz JEDTZXRLKSQKOR-RLLQIKCJSA-N 2 1 321.553 3.303 20 0 DGADMP Fc1ccnc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001276698358 1093485715 /nfs/dbraw/zinc/48/57/15/1093485715.db2.gz NHGFJDWUYMIRGX-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP Fc1ccnc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001276698358 1093485721 /nfs/dbraw/zinc/48/57/21/1093485721.db2.gz NHGFJDWUYMIRGX-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001276709178 1093728575 /nfs/dbraw/zinc/72/85/75/1093728575.db2.gz FYBHMFDFBLQCRP-RLLQIKCJSA-N 2 1 321.553 3.209 20 0 DGADMP C[C@H]1C[C@H](NCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303394496 1093809237 /nfs/dbraw/zinc/80/92/37/1093809237.db2.gz UHZHYASFHYFHOY-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP COc1ccccc1CC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276715074 1093861901 /nfs/dbraw/zinc/86/19/01/1093861901.db2.gz WMFGDOCECDVXEW-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP C[NH+](C)Cc1cccc(Nc2cnc3c(c2)C[N@H+](C)CC3)c1F ZINC001216227354 1094152727 /nfs/dbraw/zinc/15/27/27/1094152727.db2.gz CLHHFSNAQLZURR-UHFFFAOYSA-N 2 1 314.408 3.014 20 0 DGADMP C[C@H]1C[C@@H](N(CC[NH3+])Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000307716021 1094261606 /nfs/dbraw/zinc/26/16/06/1094261606.db2.gz JMYZVJNUZGIDSE-GHTZIAJQSA-N 2 1 323.484 3.110 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(O)cc(Cl)c3)C[C@H]2C1 ZINC001119989315 1094336280 /nfs/dbraw/zinc/33/62/80/1094336280.db2.gz OPIIICWVTSMZSY-IIAWOOMASA-N 2 1 308.853 3.208 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3NCCC4)C[C@@H]2C1 ZINC001119988060 1094336412 /nfs/dbraw/zinc/33/64/12/1094336412.db2.gz FCQVVRWLSJVINI-NZSAHSFTSA-N 2 1 313.489 3.207 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc(C)c1O ZINC001119989938 1094337742 /nfs/dbraw/zinc/33/77/42/1094337742.db2.gz UANDCMLOUZFFTI-RCCFBDPRSA-N 2 1 302.462 3.171 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753421 1094346108 /nfs/dbraw/zinc/34/61/08/1094346108.db2.gz DPOFBPYWXKGRPY-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753421 1094346109 /nfs/dbraw/zinc/34/61/09/1094346109.db2.gz DPOFBPYWXKGRPY-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753421 1094346118 /nfs/dbraw/zinc/34/61/18/1094346118.db2.gz DPOFBPYWXKGRPY-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001276753421 1094346127 /nfs/dbraw/zinc/34/61/27/1094346127.db2.gz DPOFBPYWXKGRPY-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001120480913 1094440382 /nfs/dbraw/zinc/44/03/82/1094440382.db2.gz HLWJKMCXZNYDTF-OAHLLOKOSA-N 2 1 319.276 3.347 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001120480913 1094440387 /nfs/dbraw/zinc/44/03/87/1094440387.db2.gz HLWJKMCXZNYDTF-OAHLLOKOSA-N 2 1 319.276 3.347 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217713058 1094481135 /nfs/dbraw/zinc/48/11/35/1094481135.db2.gz JVDGQBJXYVPUHQ-AWEZNQCLSA-N 2 1 322.840 3.046 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001217773387 1094493577 /nfs/dbraw/zinc/49/35/77/1094493577.db2.gz OPINRLICISCOGD-RBUKOAKNSA-N 2 1 302.462 3.057 20 0 DGADMP [NH3+]CCCCCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001217930961 1094519184 /nfs/dbraw/zinc/51/91/84/1094519184.db2.gz RDNYQSPFZSRDMT-SLFFLAALSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217939545 1094521685 /nfs/dbraw/zinc/52/16/85/1094521685.db2.gz QUDPFDAVDBZGLY-NSHGMRRFSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001217967055 1094534106 /nfs/dbraw/zinc/53/41/06/1094534106.db2.gz MFWZLKAOPDTVMJ-JXFKEZNVSA-N 2 1 310.441 3.435 20 0 DGADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480940 1094548452 /nfs/dbraw/zinc/54/84/52/1094548452.db2.gz MOIGQMZEQKZZKO-HZPDHXFCSA-N 2 1 313.530 3.027 20 0 DGADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480941 1094548881 /nfs/dbraw/zinc/54/88/81/1094548881.db2.gz MOIGQMZEQKZZKO-JKSUJKDBSA-N 2 1 313.530 3.027 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCCOCC2)CC3)co1 ZINC001170819806 1094561617 /nfs/dbraw/zinc/56/16/17/1094561617.db2.gz HHCPMTXRCITOLN-GOSISDBHSA-N 2 1 318.461 3.137 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170833252 1094607029 /nfs/dbraw/zinc/60/70/29/1094607029.db2.gz HBNSHHGTBCFMAV-LJQANCHMSA-N 2 1 320.452 3.291 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170833252 1094607036 /nfs/dbraw/zinc/60/70/36/1094607036.db2.gz HBNSHHGTBCFMAV-LJQANCHMSA-N 2 1 320.452 3.291 20 0 DGADMP [NH3+]CCc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001218177366 1094644807 /nfs/dbraw/zinc/64/48/07/1094644807.db2.gz MJOWGEOEFRAVSF-FQEVSTJZSA-N 2 1 310.441 3.231 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC001336737310 1094716289 /nfs/dbraw/zinc/71/62/89/1094716289.db2.gz XXFLQQLAFFSMNT-JKAXZYGGSA-N 2 1 300.446 3.154 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001218336899 1094725534 /nfs/dbraw/zinc/72/55/34/1094725534.db2.gz VVKGLXKIEDYBFF-UZLBHIALSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000309748435 1094781686 /nfs/dbraw/zinc/78/16/86/1094781686.db2.gz YNXPFFZQYDGURJ-YHUYVZNPSA-N 2 1 314.473 3.054 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001135991646 1094782858 /nfs/dbraw/zinc/78/28/58/1094782858.db2.gz HYYVENZPLDNNAI-IRXDYDNUSA-N 2 1 323.525 3.092 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001135995538 1094785956 /nfs/dbraw/zinc/78/59/56/1094785956.db2.gz HPEFWRVDOZLJAD-CVEARBPZSA-N 2 1 313.530 3.027 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(CC)CC ZINC001135996989 1094785816 /nfs/dbraw/zinc/78/58/16/1094785816.db2.gz WRWUCEZUXACFDI-HOTGVXAUSA-N 2 1 313.530 3.027 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC(C)(C)C[NH3+])cc1 ZINC001121903740 1094820613 /nfs/dbraw/zinc/82/06/13/1094820613.db2.gz KIQUOYHIEZXRPD-OAHLLOKOSA-N 2 1 317.477 3.375 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170942961 1094980232 /nfs/dbraw/zinc/98/02/32/1094980232.db2.gz IBGPMZKSLRRXQV-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170942961 1094980240 /nfs/dbraw/zinc/98/02/40/1094980240.db2.gz IBGPMZKSLRRXQV-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001170942961 1094980252 /nfs/dbraw/zinc/98/02/52/1094980252.db2.gz IBGPMZKSLRRXQV-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccc(Br)cc2)C[NH2+]1 ZINC001246081789 1094998107 /nfs/dbraw/zinc/99/81/07/1094998107.db2.gz IDJAUHBMTBAARU-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246103668 1095029829 /nfs/dbraw/zinc/02/98/29/1095029829.db2.gz XUDMIRRQVZYSOO-IQMDTDKHSA-N 2 1 302.796 3.279 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171042626 1095178189 /nfs/dbraw/zinc/17/81/89/1095178189.db2.gz ATDDWFVQEDOVKC-INIZCTEOSA-N 2 1 306.881 3.471 20 0 DGADMP CCN(CCC[NH+]1CCC([NH+](CC)CC)CC1)CC(F)(F)F ZINC001338243899 1095235882 /nfs/dbraw/zinc/23/58/82/1095235882.db2.gz MNJAONDMRKJJCA-UHFFFAOYSA-N 2 1 323.447 3.067 20 0 DGADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171064945 1095241742 /nfs/dbraw/zinc/24/17/42/1095241742.db2.gz UVRNKWNBIUBVKG-SMDDNHRTSA-N 2 1 313.272 3.392 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC(c2c[nH+]cn2C)CC1 ZINC001338320017 1095263798 /nfs/dbraw/zinc/26/37/98/1095263798.db2.gz RHGCXDKXCXTQNZ-UHFFFAOYSA-N 2 1 322.412 3.361 20 0 DGADMP COc1ncc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)cc1C ZINC001137007569 1095281935 /nfs/dbraw/zinc/28/19/35/1095281935.db2.gz FIWUSNFWJNRXNH-UHFFFAOYSA-N 2 1 322.412 3.216 20 0 DGADMP COc1ncc(CN(C)Cc2ccc(-n3ccnc3)cc2)cc1C ZINC001137007569 1095281951 /nfs/dbraw/zinc/28/19/51/1095281951.db2.gz FIWUSNFWJNRXNH-UHFFFAOYSA-N 2 1 322.412 3.216 20 0 DGADMP CC[C@]1([NH2+][C@H](C)Cc2cccc(Br)c2)CC[NH2+]C1 ZINC001246458484 1095288928 /nfs/dbraw/zinc/28/89/28/1095288928.db2.gz GLWDFDNSSBFTBD-DOMZBBRYSA-N 2 1 311.267 3.112 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596847 1095292585 /nfs/dbraw/zinc/29/25/85/1095292585.db2.gz YBNHAIVFRDLLKM-KRWDZBQOSA-N 2 1 323.525 3.070 20 0 DGADMP CC(C)[NH2+]CC[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246466077 1095307017 /nfs/dbraw/zinc/30/70/17/1095307017.db2.gz VEONEMBZTKTQCL-LBPRGKRZSA-N 2 1 304.356 3.104 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143352729 1095310016 /nfs/dbraw/zinc/31/00/16/1095310016.db2.gz YFBXFUQYLBLKTL-UHFFFAOYSA-N 2 1 318.383 3.488 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143352729 1095310037 /nfs/dbraw/zinc/31/00/37/1095310037.db2.gz YFBXFUQYLBLKTL-UHFFFAOYSA-N 2 1 318.383 3.488 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000319894717 1095417963 /nfs/dbraw/zinc/41/79/63/1095417963.db2.gz KLLNNSXEAPKDHM-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000319894717 1095417968 /nfs/dbraw/zinc/41/79/68/1095417968.db2.gz KLLNNSXEAPKDHM-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)[nH]n1 ZINC001116013801 1095436896 /nfs/dbraw/zinc/43/68/96/1095436896.db2.gz RWFFAYZFUFFPCI-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C ZINC001171122072 1095446381 /nfs/dbraw/zinc/44/63/81/1095446381.db2.gz XAGAVAXMQAYPBN-QZTJIDSGSA-N 2 1 323.525 3.092 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149357 1095459618 /nfs/dbraw/zinc/45/96/18/1095459618.db2.gz XWEQFJISUMSXQL-GOSISDBHSA-N 2 1 313.470 3.386 20 0 DGADMP COc1ccccc1CC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153919 1095460533 /nfs/dbraw/zinc/46/05/33/1095460533.db2.gz CQKWCJKLUAMJMY-FQEVSTJZSA-N 2 1 316.489 3.484 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(C)C ZINC001222154409 1095461564 /nfs/dbraw/zinc/46/15/64/1095461564.db2.gz LARDEGXPQABPKT-IBGZPJMESA-N 2 1 302.462 3.358 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154891 1095462995 /nfs/dbraw/zinc/46/29/95/1095462995.db2.gz SKSKESFVKMNLKA-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154891 1095463001 /nfs/dbraw/zinc/46/30/01/1095463001.db2.gz SKSKESFVKMNLKA-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160879 1095467068 /nfs/dbraw/zinc/46/70/68/1095467068.db2.gz JTDMQRKFEQYPEW-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP c1cc2cccc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)n2n1 ZINC001222159979 1095467501 /nfs/dbraw/zinc/46/75/01/1095467501.db2.gz BFBDPNQNGMSYBS-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP c1cc2cccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)n2n1 ZINC001222159979 1095467504 /nfs/dbraw/zinc/46/75/04/1095467504.db2.gz BFBDPNQNGMSYBS-LJQANCHMSA-N 2 1 312.461 3.080 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C[C@H](C)O1 ZINC001222160744 1095467678 /nfs/dbraw/zinc/46/76/78/1095467678.db2.gz IKZYSDACOGXZHC-RDGPPVDQSA-N 2 1 308.510 3.436 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162121 1095468818 /nfs/dbraw/zinc/46/88/18/1095468818.db2.gz YUACUMVYXLVZLW-SFHVURJKSA-N 2 1 304.482 3.039 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222162121 1095468824 /nfs/dbraw/zinc/46/88/24/1095468824.db2.gz YUACUMVYXLVZLW-SFHVURJKSA-N 2 1 304.482 3.039 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1O ZINC001222167072 1095470966 /nfs/dbraw/zinc/47/09/66/1095470966.db2.gz HPIPGLOYANCQNC-LJQANCHMSA-N 2 1 302.462 3.446 20 0 DGADMP CCc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222167797 1095472990 /nfs/dbraw/zinc/47/29/90/1095472990.db2.gz RLFNLZGNKPSNSQ-LJQANCHMSA-N 2 1 301.478 3.390 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222167797 1095472998 /nfs/dbraw/zinc/47/29/98/1095472998.db2.gz RLFNLZGNKPSNSQ-LJQANCHMSA-N 2 1 301.478 3.390 20 0 DGADMP Cc1ncc(F)cc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222168108 1095473731 /nfs/dbraw/zinc/47/37/31/1095473731.db2.gz UYGBBXOUFHGZLJ-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1ncc(F)cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222168108 1095473739 /nfs/dbraw/zinc/47/37/39/1095473739.db2.gz UYGBBXOUFHGZLJ-GOSISDBHSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1ncc(F)cc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222168109 1095474252 /nfs/dbraw/zinc/47/42/52/1095474252.db2.gz UYGBBXOUFHGZLJ-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1ncc(F)cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222168109 1095474258 /nfs/dbraw/zinc/47/42/58/1095474258.db2.gz UYGBBXOUFHGZLJ-SFHVURJKSA-N 2 1 305.441 3.275 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(C)n1 ZINC001222167352 1095474390 /nfs/dbraw/zinc/47/43/90/1095474390.db2.gz KPSXJZPKQSXMLL-LJQANCHMSA-N 2 1 301.478 3.444 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]c2cccnc12 ZINC001222168303 1095475814 /nfs/dbraw/zinc/47/58/14/1095475814.db2.gz ZYLPQQAVCACBGK-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP c1c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]c2cccnc12 ZINC001222168303 1095475820 /nfs/dbraw/zinc/47/58/20/1095475820.db2.gz ZYLPQQAVCACBGK-LJQANCHMSA-N 2 1 312.461 3.309 20 0 DGADMP Cc1ccc(O)cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171745 1095476888 /nfs/dbraw/zinc/47/68/88/1095476888.db2.gz FCFHWIOJOIZFQZ-IBGZPJMESA-N 2 1 302.462 3.446 20 0 DGADMP CC[N@@H+](CCn1ccnc1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171133577 1095493483 /nfs/dbraw/zinc/49/34/83/1095493483.db2.gz NLKYXOZTMBZFLB-KRWDZBQOSA-N 2 1 303.837 3.416 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136199 1095500213 /nfs/dbraw/zinc/50/02/13/1095500213.db2.gz SNDPGXBJLZMVQZ-MSOLQXFVSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136199 1095500227 /nfs/dbraw/zinc/50/02/27/1095500227.db2.gz SNDPGXBJLZMVQZ-MSOLQXFVSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136199 1095500238 /nfs/dbraw/zinc/50/02/38/1095500238.db2.gz SNDPGXBJLZMVQZ-MSOLQXFVSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171136509 1095502762 /nfs/dbraw/zinc/50/27/62/1095502762.db2.gz UAMYKVXZYSGGIT-KBAYOESNSA-N 2 1 304.865 3.081 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC001116291800 1095505531 /nfs/dbraw/zinc/50/55/31/1095505531.db2.gz WGIJHMNHKYHDSP-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134190 1095505803 /nfs/dbraw/zinc/50/58/03/1095505803.db2.gz USLXVICNLGDFAQ-SCTDSRPQSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134190 1095505814 /nfs/dbraw/zinc/50/58/14/1095505814.db2.gz USLXVICNLGDFAQ-SCTDSRPQSA-N 2 1 318.892 3.471 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]2C1 ZINC001171134190 1095505819 /nfs/dbraw/zinc/50/58/19/1095505819.db2.gz USLXVICNLGDFAQ-SCTDSRPQSA-N 2 1 318.892 3.471 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC001116288959 1095506558 /nfs/dbraw/zinc/50/65/58/1095506558.db2.gz KFEPDILOKLLJES-CRAIPNDOSA-N 2 1 313.445 3.204 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC001116292875 1095507635 /nfs/dbraw/zinc/50/76/35/1095507635.db2.gz GHZWCWYRJREWBT-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)nc1 ZINC001222244474 1095509355 /nfs/dbraw/zinc/50/93/55/1095509355.db2.gz ZDIWKPSBUNIWGG-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)nc1 ZINC001222244474 1095509363 /nfs/dbraw/zinc/50/93/63/1095509363.db2.gz ZDIWKPSBUNIWGG-FQEVSTJZSA-N 2 1 307.441 3.467 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1C ZINC001222278287 1095525539 /nfs/dbraw/zinc/52/55/39/1095525539.db2.gz ZXCAEPPVJWGWJZ-LJQANCHMSA-N 2 1 302.462 3.359 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1C ZINC001222278287 1095525548 /nfs/dbraw/zinc/52/55/48/1095525548.db2.gz ZXCAEPPVJWGWJZ-LJQANCHMSA-N 2 1 302.462 3.359 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222293613 1095535240 /nfs/dbraw/zinc/53/52/40/1095535240.db2.gz YVOCXLJDBFCPRD-UHFFFAOYSA-N 2 1 310.482 3.108 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1C ZINC001222315649 1095545263 /nfs/dbraw/zinc/54/52/63/1095545263.db2.gz PCYAEBHIXIUIAW-IBGZPJMESA-N 2 1 302.462 3.420 20 0 DGADMP CCOc1c(F)cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222315587 1095546570 /nfs/dbraw/zinc/54/65/70/1095546570.db2.gz OQMGHIFLTOLULY-GOSISDBHSA-N 2 1 324.415 3.472 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222315587 1095546574 /nfs/dbraw/zinc/54/65/74/1095546574.db2.gz OQMGHIFLTOLULY-GOSISDBHSA-N 2 1 324.415 3.472 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222320296 1095551391 /nfs/dbraw/zinc/55/13/91/1095551391.db2.gz GFUUAIYFEWBWRL-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222320296 1095551398 /nfs/dbraw/zinc/55/13/98/1095551398.db2.gz GFUUAIYFEWBWRL-KRWDZBQOSA-N 2 1 308.853 3.457 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC001116445547 1095557875 /nfs/dbraw/zinc/55/78/75/1095557875.db2.gz UHSDPBQKSSEWAI-PKOBYXMFSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC001116445547 1095557885 /nfs/dbraw/zinc/55/78/85/1095557885.db2.gz UHSDPBQKSSEWAI-PKOBYXMFSA-N 2 1 315.505 3.449 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC001116445547 1095557893 /nfs/dbraw/zinc/55/78/93/1095557893.db2.gz UHSDPBQKSSEWAI-PKOBYXMFSA-N 2 1 315.505 3.449 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347221 1095566829 /nfs/dbraw/zinc/56/68/29/1095566829.db2.gz ZMMALRNPBVYNPU-IBGZPJMESA-N 2 1 324.509 3.498 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347221 1095566839 /nfs/dbraw/zinc/56/68/39/1095566839.db2.gz ZMMALRNPBVYNPU-IBGZPJMESA-N 2 1 324.509 3.498 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222407819 1095599888 /nfs/dbraw/zinc/59/98/88/1095599888.db2.gz OWSGXNDNVIJURR-UHFFFAOYSA-N 2 1 316.489 3.087 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3cnn(C(C)C)c32)CC1 ZINC001116603818 1095613440 /nfs/dbraw/zinc/61/34/40/1095613440.db2.gz JCYXBORTHYQORL-QGZVFWFLSA-N 2 1 304.482 3.305 20 0 DGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc4[nH+]c(N)[nH]c4c3)c2c1 ZINC001171168725 1095623155 /nfs/dbraw/zinc/62/31/55/1095623155.db2.gz MGEQGMAIYRKRPR-LBPRGKRZSA-N 2 1 319.412 3.287 20 0 DGADMP Cc1nc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)sc1C ZINC001144378085 1095625003 /nfs/dbraw/zinc/62/50/03/1095625003.db2.gz SPIHEOFTTZVQCG-AWEZNQCLSA-N 2 1 303.431 3.117 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)sc1C ZINC001144378085 1095625014 /nfs/dbraw/zinc/62/50/14/1095625014.db2.gz SPIHEOFTTZVQCG-AWEZNQCLSA-N 2 1 303.431 3.117 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3CCC(F)(C[NH3+])CC3)cs2)cc1 ZINC001222552509 1095663545 /nfs/dbraw/zinc/66/35/45/1095663545.db2.gz FOFIBCKKPWSOJD-UHFFFAOYSA-N 2 1 319.449 3.381 20 0 DGADMP CCC[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222577318 1095674390 /nfs/dbraw/zinc/67/43/90/1095674390.db2.gz YHATWDIJHONJBZ-GOSISDBHSA-N 2 1 302.462 3.200 20 0 DGADMP Cc1cccc(CC[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595939 1095683054 /nfs/dbraw/zinc/68/30/54/1095683054.db2.gz MEXAFYGPBPEKIH-FQEVSTJZSA-N 2 1 306.453 3.227 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615526 1095695234 /nfs/dbraw/zinc/69/52/34/1095695234.db2.gz QUCPUEOHDYRQAY-GOEBONIOSA-N 2 1 312.379 3.322 20 0 DGADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620311 1095696502 /nfs/dbraw/zinc/69/65/02/1095696502.db2.gz MKIPYHZOSCRYBF-AZUAARDMSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620311 1095696508 /nfs/dbraw/zinc/69/65/08/1095696508.db2.gz MKIPYHZOSCRYBF-AZUAARDMSA-N 2 1 322.452 3.449 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)s1)CC2 ZINC001137647082 1095699808 /nfs/dbraw/zinc/69/98/08/1095699808.db2.gz CGABAELGMYDUOU-UHFFFAOYSA-N 2 1 315.280 3.038 20 0 DGADMP CCCC[NH+]1CCC(N(C)Cc2[nH+]cn3ccccc23)CC1 ZINC001144627761 1095743114 /nfs/dbraw/zinc/74/31/14/1095743114.db2.gz VMXFBNFSKPPWRV-UHFFFAOYSA-N 2 1 300.450 3.031 20 0 DGADMP Nc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860766 1095851202 /nfs/dbraw/zinc/85/12/02/1095851202.db2.gz KDHRDGMYAWIRIZ-FQEVSTJZSA-N 2 1 324.472 3.085 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860766 1095851225 /nfs/dbraw/zinc/85/12/25/1095851225.db2.gz KDHRDGMYAWIRIZ-FQEVSTJZSA-N 2 1 324.472 3.085 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860766 1095851249 /nfs/dbraw/zinc/85/12/49/1095851249.db2.gz KDHRDGMYAWIRIZ-FQEVSTJZSA-N 2 1 324.472 3.085 20 0 DGADMP Nc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276860766 1095851265 /nfs/dbraw/zinc/85/12/65/1095851265.db2.gz KDHRDGMYAWIRIZ-FQEVSTJZSA-N 2 1 324.472 3.085 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001138103855 1095878770 /nfs/dbraw/zinc/87/87/70/1095878770.db2.gz GXULCCXTRUXECP-SFHVURJKSA-N 2 1 312.413 3.442 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001138103855 1095878788 /nfs/dbraw/zinc/87/87/88/1095878788.db2.gz GXULCCXTRUXECP-SFHVURJKSA-N 2 1 312.413 3.442 20 0 DGADMP CC(C)(C)c1ccc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c1 ZINC001160748275 1095909183 /nfs/dbraw/zinc/90/91/83/1095909183.db2.gz SOYVXTIIYFHAHY-NWDGAFQWSA-N 2 1 301.356 3.331 20 0 DGADMP CC(C)(C)c1ccc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c1 ZINC001160748277 1095910109 /nfs/dbraw/zinc/91/01/09/1095910109.db2.gz SOYVXTIIYFHAHY-VXGBXAGGSA-N 2 1 301.356 3.331 20 0 DGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253744 1095935386 /nfs/dbraw/zinc/93/53/86/1095935386.db2.gz IWTGEHDSXGSHNV-KEGWNNHHSA-N 2 1 323.525 3.092 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246638785 1095944264 /nfs/dbraw/zinc/94/42/64/1095944264.db2.gz TXICEZUXWTVULY-BBRMVZONSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246638785 1095944276 /nfs/dbraw/zinc/94/42/76/1095944276.db2.gz TXICEZUXWTVULY-BBRMVZONSA-N 2 1 323.278 3.208 20 0 DGADMP Fc1ccc(OCCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001118198907 1095956015 /nfs/dbraw/zinc/95/60/15/1095956015.db2.gz YUOMIFIKMQHNPX-UHFFFAOYSA-N 2 1 306.425 3.060 20 0 DGADMP Clc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc(Cl)n1 ZINC001118263725 1095970206 /nfs/dbraw/zinc/97/02/06/1095970206.db2.gz LZLJVFUTNBRALT-UHFFFAOYSA-N 2 1 314.260 3.354 20 0 DGADMP Clc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(Cl)n1 ZINC001118263725 1095970213 /nfs/dbraw/zinc/97/02/13/1095970213.db2.gz LZLJVFUTNBRALT-UHFFFAOYSA-N 2 1 314.260 3.354 20 0 DGADMP FC1(F)CC12CC([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001118484146 1096020747 /nfs/dbraw/zinc/02/07/47/1096020747.db2.gz KUOQULOFRKBYNP-UHFFFAOYSA-N 2 1 320.427 3.471 20 0 DGADMP C[NH+](C)CC[C@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccccc1 ZINC001224137537 1096144194 /nfs/dbraw/zinc/14/41/94/1096144194.db2.gz XAECIPSJVXZSCR-ZGXWSNOMSA-N 2 1 316.489 3.426 20 0 DGADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001119297119 1096157049 /nfs/dbraw/zinc/15/70/49/1096157049.db2.gz FLPZEEMDISQKSU-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP C[NH+]1CCC(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224451204 1096215152 /nfs/dbraw/zinc/21/51/52/1096215152.db2.gz TXPHZCQQQCEPMH-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)[nH+]1 ZINC001276981312 1096239437 /nfs/dbraw/zinc/23/94/37/1096239437.db2.gz XSGPCYPSAGRJLB-LJQANCHMSA-N 2 1 315.461 3.004 20 0 DGADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)[nH+]1 ZINC001276981312 1096239445 /nfs/dbraw/zinc/23/94/45/1096239445.db2.gz XSGPCYPSAGRJLB-LJQANCHMSA-N 2 1 315.461 3.004 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224751579 1096279304 /nfs/dbraw/zinc/27/93/04/1096279304.db2.gz ZUTPBLSOHNYJEJ-GOSISDBHSA-N 2 1 320.452 3.293 20 0 DGADMP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171353630 1096526915 /nfs/dbraw/zinc/52/69/15/1096526915.db2.gz IBYRISCFOVJQKD-INIZCTEOSA-N 2 1 320.427 3.416 20 0 DGADMP CN(C)c1cc(F)cc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001277097379 1096604933 /nfs/dbraw/zinc/60/49/33/1096604933.db2.gz QVTCEAHGWYNSCH-IBGZPJMESA-N 2 1 319.468 3.200 20 0 DGADMP Nc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2[nH+]1 ZINC001226418483 1096685199 /nfs/dbraw/zinc/68/51/99/1096685199.db2.gz OGCFBAWLSRULAY-INIZCTEOSA-N 2 1 319.408 3.470 20 0 DGADMP COc1cc(F)c(C)cc1CN1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277129100 1096693148 /nfs/dbraw/zinc/69/31/48/1096693148.db2.gz SYKSLTOOINBSTJ-IBGZPJMESA-N 2 1 320.452 3.451 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)[C@H](C)C1 ZINC001171419912 1096717345 /nfs/dbraw/zinc/71/73/45/1096717345.db2.gz WYXVCHQDWSFTHQ-IDHHARJASA-N 2 1 304.453 3.391 20 0 DGADMP CC(C)COc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226784741 1096776491 /nfs/dbraw/zinc/77/64/91/1096776491.db2.gz MORHRZPOHTZCFZ-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171486093 1096895133 /nfs/dbraw/zinc/89/51/33/1096895133.db2.gz ATRDHYVHXCKICI-MRXNPFEDSA-N 2 1 308.416 3.240 20 0 DGADMP C[NH+]1C(C)(C)CC([NH+]2CCC3(C[C@H]3CCO)CC2)CC1(C)C ZINC001171632096 1096931078 /nfs/dbraw/zinc/93/10/78/1096931078.db2.gz UZYWUCYFDDFGED-OAHLLOKOSA-N 2 1 308.510 3.122 20 0 DGADMP C[NH+]1C(C)(C)CC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1(C)C ZINC001171623026 1096936096 /nfs/dbraw/zinc/93/60/96/1096936096.db2.gz HVTLGWRPODIHMW-ACHSLPGTSA-N 2 1 307.526 3.243 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171623026 1096936102 /nfs/dbraw/zinc/93/61/02/1096936102.db2.gz HVTLGWRPODIHMW-ACHSLPGTSA-N 2 1 307.526 3.243 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1(C)C ZINC001171623026 1096936108 /nfs/dbraw/zinc/93/61/08/1096936108.db2.gz HVTLGWRPODIHMW-ACHSLPGTSA-N 3 1 307.526 3.243 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1(C)C ZINC001171623026 1096936112 /nfs/dbraw/zinc/93/61/12/1096936112.db2.gz HVTLGWRPODIHMW-ACHSLPGTSA-N 3 1 307.526 3.243 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)c2cccc(F)c2)CC1(C)C ZINC001171623081 1096936155 /nfs/dbraw/zinc/93/61/55/1096936155.db2.gz JRFQOYLFCNDSSY-MRXNPFEDSA-N 2 1 308.441 3.100 20 0 DGADMP C[NH+]1C(C)(C)CC([NH+]2CC3(C2)C[C@@H](F)CS3)CC1(C)C ZINC001171642236 1096949604 /nfs/dbraw/zinc/94/96/04/1096949604.db2.gz HGAFZVZANDACPF-GFCCVEGCSA-N 2 1 300.487 3.167 20 0 DGADMP CCOC(=O)[C@@]1(C)CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171643951 1096950078 /nfs/dbraw/zinc/95/00/78/1096950078.db2.gz YVICEJWUVKXDPU-IBGZPJMESA-N 2 1 324.509 3.303 20 0 DGADMP C[C@H]1C[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001171727711 1096955411 /nfs/dbraw/zinc/95/54/11/1096955411.db2.gz GBWLGMJNUZLBJT-RNQOJCNYSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171727711 1096955416 /nfs/dbraw/zinc/95/54/16/1096955416.db2.gz GBWLGMJNUZLBJT-RNQOJCNYSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171727349 1096955723 /nfs/dbraw/zinc/95/57/23/1096955723.db2.gz BYBHRJOHXWEWJX-YJBOKZPZSA-N 2 1 308.429 3.049 20 0 DGADMP C[NH2+]Cc1c(C)nn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171760408 1096964375 /nfs/dbraw/zinc/96/43/75/1096964375.db2.gz VSLSTIYDKZBKOF-RDTXWAMCSA-N 2 1 312.461 3.055 20 0 DGADMP CC[N@@H+](C)C1CCN([C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC001171766570 1096967125 /nfs/dbraw/zinc/96/71/25/1096967125.db2.gz GHHSWNPITOAANH-XLIONFOSSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171766570 1096967129 /nfs/dbraw/zinc/96/71/29/1096967129.db2.gz GHHSWNPITOAANH-XLIONFOSSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+](C)C1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171766570 1096967134 /nfs/dbraw/zinc/96/71/34/1096967134.db2.gz GHHSWNPITOAANH-XLIONFOSSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)[N@H+]1CCN([C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001171767976 1096967840 /nfs/dbraw/zinc/96/78/40/1096967840.db2.gz QPJTWRJYYYWLEN-BJLQDIEVSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](Nc2cccc(CC[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171734000 1096971309 /nfs/dbraw/zinc/97/13/09/1096971309.db2.gz LBXXHTYCFGYEOZ-OXQOHEQNSA-N 2 1 309.457 3.263 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171783553 1096976291 /nfs/dbraw/zinc/97/62/91/1096976291.db2.gz TUWLDPROYLMZRD-QAPCUYQASA-N 2 1 312.432 3.390 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785131 1096977580 /nfs/dbraw/zinc/97/75/80/1096977580.db2.gz KSBMNXJWCDRVSE-XIRDDKMYSA-N 2 1 302.437 3.417 20 0 DGADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964072 1097006319 /nfs/dbraw/zinc/00/63/19/1097006319.db2.gz KHBPSHYVXKBXAI-BPQIPLTHSA-N 2 1 302.462 3.197 20 0 DGADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965091 1097006605 /nfs/dbraw/zinc/00/66/05/1097006605.db2.gz OBLZEFRGMWCBTI-MSOLQXFVSA-N 2 1 304.478 3.036 20 0 DGADMP CN1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962049 1097007067 /nfs/dbraw/zinc/00/70/67/1097007067.db2.gz BCZUZGUTDZMVPP-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962049 1097007073 /nfs/dbraw/zinc/00/70/73/1097007073.db2.gz BCZUZGUTDZMVPP-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP C[N@H+]1CCC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962049 1097007077 /nfs/dbraw/zinc/00/70/77/1097007077.db2.gz BCZUZGUTDZMVPP-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962049 1097007083 /nfs/dbraw/zinc/00/70/83/1097007083.db2.gz BCZUZGUTDZMVPP-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171962049 1097007086 /nfs/dbraw/zinc/00/70/86/1097007086.db2.gz BCZUZGUTDZMVPP-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965713 1097007673 /nfs/dbraw/zinc/00/76/73/1097007673.db2.gz QMSVBKHFOSAJPQ-GOSISDBHSA-N 2 1 304.478 3.444 20 0 DGADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966149 1097007759 /nfs/dbraw/zinc/00/77/59/1097007759.db2.gz SOULBMWOBFECBE-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966476 1097007788 /nfs/dbraw/zinc/00/77/88/1097007788.db2.gz UZERMUZRNLCOJY-SFHVURJKSA-N 2 1 304.478 3.446 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171965687 1097007980 /nfs/dbraw/zinc/00/79/80/1097007980.db2.gz QHCSSZVZKXUPMB-QYZOEREBSA-N 2 1 316.489 3.323 20 0 DGADMP CC[NH+]1CCC([N@H+](C)C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171928313 1097010278 /nfs/dbraw/zinc/01/02/78/1097010278.db2.gz AZDKZJDLGNYRME-UHFFFAOYSA-N 2 1 324.509 3.303 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171928313 1097010283 /nfs/dbraw/zinc/01/02/83/1097010283.db2.gz AZDKZJDLGNYRME-UHFFFAOYSA-N 2 1 324.509 3.303 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2(CO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171972077 1097021885 /nfs/dbraw/zinc/02/18/85/1097021885.db2.gz NLFKCHVCEKYJRT-SFHVURJKSA-N 2 1 316.489 3.324 20 0 DGADMP CC1(C)C[C@@H](n2ccc(C[NH3+])cc2=N)CC[N@H+]1Cc1ccccc1 ZINC001171972305 1097022180 /nfs/dbraw/zinc/02/21/80/1097022180.db2.gz PNAGRQPLJBGREC-SFHVURJKSA-N 2 1 324.472 3.042 20 0 DGADMP C[C@H]1COCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976094 1097022657 /nfs/dbraw/zinc/02/26/57/1097022657.db2.gz IAFMAYJVZKGWMK-IEBWSBKVSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1COCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976094 1097022659 /nfs/dbraw/zinc/02/26/59/1097022659.db2.gz IAFMAYJVZKGWMK-IEBWSBKVSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1COCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976094 1097022664 /nfs/dbraw/zinc/02/26/64/1097022664.db2.gz IAFMAYJVZKGWMK-IEBWSBKVSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1COCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976094 1097022669 /nfs/dbraw/zinc/02/26/69/1097022669.db2.gz IAFMAYJVZKGWMK-IEBWSBKVSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+](C)[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974916 1097023203 /nfs/dbraw/zinc/02/32/03/1097023203.db2.gz AZYRLNQTLJFFOF-OALUTQOASA-N 2 1 315.505 3.066 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC001171976161 1097024082 /nfs/dbraw/zinc/02/40/82/1097024082.db2.gz ITZDSJDFVINLKL-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC001171976161 1097024088 /nfs/dbraw/zinc/02/40/88/1097024088.db2.gz ITZDSJDFVINLKL-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976161 1097024094 /nfs/dbraw/zinc/02/40/94/1097024094.db2.gz ITZDSJDFVINLKL-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCCC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976161 1097024098 /nfs/dbraw/zinc/02/40/98/1097024098.db2.gz ITZDSJDFVINLKL-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976950 1097024969 /nfs/dbraw/zinc/02/49/69/1097024969.db2.gz VZVAZLAEVDXQNI-ROUUACIJSA-N 2 1 304.478 3.444 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977407 1097025056 /nfs/dbraw/zinc/02/50/56/1097025056.db2.gz RGIQGQIHIGSBJG-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@H]([NH+]2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977407 1097025062 /nfs/dbraw/zinc/02/50/62/1097025062.db2.gz RGIQGQIHIGSBJG-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CCCOCC2)CC[NH+]1Cc1ccccc1 ZINC001171977407 1097025067 /nfs/dbraw/zinc/02/50/67/1097025067.db2.gz RGIQGQIHIGSBJG-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CCCOCC2)CC[NH+]1Cc1ccccc1 ZINC001171977407 1097025074 /nfs/dbraw/zinc/02/50/74/1097025074.db2.gz RGIQGQIHIGSBJG-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP CCN(CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976937 1097025780 /nfs/dbraw/zinc/02/57/80/1097025780.db2.gz OVKUUZCSNYVRKY-LJQANCHMSA-N 2 1 317.521 3.313 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171980384 1097027654 /nfs/dbraw/zinc/02/76/54/1097027654.db2.gz UXFZQEFFZVTYER-OKZBNKHCSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171980384 1097027659 /nfs/dbraw/zinc/02/76/59/1097027659.db2.gz UXFZQEFFZVTYER-OKZBNKHCSA-N 2 1 320.452 3.146 20 0 DGADMP CN([C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C[NH3+] ZINC001171984467 1097029194 /nfs/dbraw/zinc/02/91/94/1097029194.db2.gz WAYQTUKWDVAKNK-KRWDZBQOSA-N 2 1 303.494 3.099 20 0 DGADMP CN([C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987862 1097029205 /nfs/dbraw/zinc/02/92/05/1097029205.db2.gz KYEMSLLLPPHNOH-OALUTQOASA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987862 1097029210 /nfs/dbraw/zinc/02/92/10/1097029210.db2.gz KYEMSLLLPPHNOH-OALUTQOASA-N 2 1 315.505 3.066 20 0 DGADMP CN([C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987862 1097029217 /nfs/dbraw/zinc/02/92/17/1097029217.db2.gz KYEMSLLLPPHNOH-OALUTQOASA-N 2 1 315.505 3.066 20 0 DGADMP [NH3+]CCc1cnn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172074486 1097037230 /nfs/dbraw/zinc/03/72/30/1097037230.db2.gz VWNQQXATKADRBZ-PMOLBWCYSA-N 2 1 324.472 3.143 20 0 DGADMP OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172079729 1097038107 /nfs/dbraw/zinc/03/81/07/1097038107.db2.gz QFADFPNIOPBHSA-REPLKXPHSA-N 2 1 314.473 3.029 20 0 DGADMP OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172079729 1097038114 /nfs/dbraw/zinc/03/81/14/1097038114.db2.gz QFADFPNIOPBHSA-REPLKXPHSA-N 2 1 314.473 3.029 20 0 DGADMP CCOc1cccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101682 1097041264 /nfs/dbraw/zinc/04/12/64/1097041264.db2.gz HVRJAEDNJNUNED-NNZMDNLPSA-N 2 1 302.462 3.233 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206155955 1097041463 /nfs/dbraw/zinc/04/14/63/1097041463.db2.gz NHMWMASGEDXLNB-UONOGXRCSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC[C@@H]1F ZINC001206155955 1097041469 /nfs/dbraw/zinc/04/14/69/1097041469.db2.gz NHMWMASGEDXLNB-UONOGXRCSA-N 2 1 304.331 3.009 20 0 DGADMP C[NH+](C)CCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064945 1097043849 /nfs/dbraw/zinc/04/38/49/1097043849.db2.gz JFTLRGSNWVNQCG-OWZKRDHZSA-N 2 1 315.505 3.113 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CCOCC2)C3)cc1 ZINC001172066840 1097044958 /nfs/dbraw/zinc/04/49/58/1097044958.db2.gz KKKNKEBVVHXRAC-OWZKRDHZSA-N 2 1 314.473 3.341 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124918 1097045555 /nfs/dbraw/zinc/04/55/55/1097045555.db2.gz MXRMMFRWPIRXJX-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124918 1097045561 /nfs/dbraw/zinc/04/55/61/1097045561.db2.gz MXRMMFRWPIRXJX-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP COc1ccccc1CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124918 1097045566 /nfs/dbraw/zinc/04/55/66/1097045566.db2.gz MXRMMFRWPIRXJX-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP c1cn(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172069540 1097046044 /nfs/dbraw/zinc/04/60/44/1097046044.db2.gz UYIZMQGZLNEAOG-ACDBMABISA-N 2 1 324.472 3.058 20 0 DGADMP [NH3+]Cc1cncn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068287 1097046122 /nfs/dbraw/zinc/04/61/22/1097046122.db2.gz PZMBVSMKOVQQQN-BCDXTJNWSA-N 2 1 310.445 3.100 20 0 DGADMP C[C@]1(O)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068821 1097046444 /nfs/dbraw/zinc/04/64/44/1097046444.db2.gz LDOIRHWEIWIYBT-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068821 1097046450 /nfs/dbraw/zinc/04/64/50/1097046450.db2.gz LDOIRHWEIWIYBT-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068821 1097046455 /nfs/dbraw/zinc/04/64/55/1097046455.db2.gz LDOIRHWEIWIYBT-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[C@]1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068821 1097046460 /nfs/dbraw/zinc/04/64/60/1097046460.db2.gz LDOIRHWEIWIYBT-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)cc1 ZINC001172126996 1097048413 /nfs/dbraw/zinc/04/84/13/1097048413.db2.gz FHYKQVJNMFKDFC-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126996 1097048415 /nfs/dbraw/zinc/04/84/15/1097048415.db2.gz FHYKQVJNMFKDFC-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172126996 1097048421 /nfs/dbraw/zinc/04/84/21/1097048421.db2.gz FHYKQVJNMFKDFC-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172126996 1097048426 /nfs/dbraw/zinc/04/84/26/1097048426.db2.gz FHYKQVJNMFKDFC-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccc([C@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172126996 1097048430 /nfs/dbraw/zinc/04/84/30/1097048430.db2.gz FHYKQVJNMFKDFC-OKYOBFRVSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130613 1097049468 /nfs/dbraw/zinc/04/94/68/1097049468.db2.gz QMHIRUFOLKNXSD-YDZRNGNQSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130613 1097049472 /nfs/dbraw/zinc/04/94/72/1097049472.db2.gz QMHIRUFOLKNXSD-YDZRNGNQSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130613 1097049476 /nfs/dbraw/zinc/04/94/76/1097049476.db2.gz QMHIRUFOLKNXSD-YDZRNGNQSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001172130613 1097049480 /nfs/dbraw/zinc/04/94/80/1097049480.db2.gz QMHIRUFOLKNXSD-YDZRNGNQSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1F)C1CC1)C2 ZINC001172110062 1097057193 /nfs/dbraw/zinc/05/71/93/1097057193.db2.gz JJKPVSITXMOQCY-JYYAWHABSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1F)C1CC1)C2 ZINC001172110062 1097057198 /nfs/dbraw/zinc/05/71/98/1097057198.db2.gz JJKPVSITXMOQCY-JYYAWHABSA-N 2 1 303.425 3.277 20 0 DGADMP COc1cc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)ccn1 ZINC001172110830 1097057294 /nfs/dbraw/zinc/05/72/94/1097057294.db2.gz PTLZSIAQJCJVAB-ZMMAXQRCSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)ccn1 ZINC001172110830 1097057297 /nfs/dbraw/zinc/05/72/97/1097057297.db2.gz PTLZSIAQJCJVAB-ZMMAXQRCSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c(-c3ccccc3)cnc1C[NH3+])C2 ZINC001172111109 1097057548 /nfs/dbraw/zinc/05/75/48/1097057548.db2.gz SCLUJRIZBZDIAN-BJWYYQGGSA-N 2 1 310.445 3.197 20 0 DGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172110292 1097057911 /nfs/dbraw/zinc/05/79/11/1097057911.db2.gz JLWDINSNSAKWPU-BJWYYQGGSA-N 2 1 301.478 3.273 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1(O)CCC1)C2 ZINC001172113338 1097060024 /nfs/dbraw/zinc/06/00/24/1097060024.db2.gz CHJRLCDMMDAXJV-AKHDSKFASA-N 2 1 314.473 3.248 20 0 DGADMP COc1cncc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172113543 1097062092 /nfs/dbraw/zinc/06/20/92/1097062092.db2.gz KBTZFXLBRIDUEB-SFNKJDCFSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cncc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172113543 1097062098 /nfs/dbraw/zinc/06/20/98/1097062098.db2.gz KBTZFXLBRIDUEB-SFNKJDCFSA-N 2 1 315.461 3.146 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121013 1097063248 /nfs/dbraw/zinc/06/32/48/1097063248.db2.gz NYINNHBZZLLUET-VUHPKUFZSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121013 1097063253 /nfs/dbraw/zinc/06/32/53/1097063253.db2.gz NYINNHBZZLLUET-VUHPKUFZSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121013 1097063257 /nfs/dbraw/zinc/06/32/57/1097063257.db2.gz NYINNHBZZLLUET-VUHPKUFZSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121013 1097063261 /nfs/dbraw/zinc/06/32/61/1097063261.db2.gz NYINNHBZZLLUET-VUHPKUFZSA-N 2 1 322.493 3.057 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001172249628 1097091643 /nfs/dbraw/zinc/09/16/43/1097091643.db2.gz LYEKJVWEQMTGFS-INIZCTEOSA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001172249628 1097091649 /nfs/dbraw/zinc/09/16/49/1097091649.db2.gz LYEKJVWEQMTGFS-INIZCTEOSA-N 2 1 302.462 3.107 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172253186 1097091844 /nfs/dbraw/zinc/09/18/44/1097091844.db2.gz FWTRTLKXUKKCMY-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172253186 1097091849 /nfs/dbraw/zinc/09/18/49/1097091849.db2.gz FWTRTLKXUKKCMY-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CC[C@@H](C)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001172373072 1097110721 /nfs/dbraw/zinc/11/07/21/1097110721.db2.gz KPNHMRXAXHZEIR-BZUAXINKSA-N 2 1 318.509 3.366 20 0 DGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172335904 1097116614 /nfs/dbraw/zinc/11/66/14/1097116614.db2.gz LEAJKOLAKWIFLF-CVEARBPZSA-N 3 1 315.546 3.055 20 0 DGADMP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172439463 1097153965 /nfs/dbraw/zinc/15/39/65/1097153965.db2.gz DEIYHTSNTZVLOD-INIZCTEOSA-N 2 1 320.477 3.149 20 0 DGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)CCOC(C)C)CC1 ZINC001172450648 1097158024 /nfs/dbraw/zinc/15/80/24/1097158024.db2.gz ZCXHBYANONDBCB-MRXNPFEDSA-N 2 1 305.466 3.152 20 0 DGADMP [NH3+]CCCC[NH+]1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172544781 1097187946 /nfs/dbraw/zinc/18/79/46/1097187946.db2.gz FGGINUCFJKNYBK-WOJBJXKFSA-N 2 1 315.505 3.069 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001172618673 1097197009 /nfs/dbraw/zinc/19/70/09/1097197009.db2.gz YYSJHUNADXXPHV-KZNAEPCWSA-N 2 1 322.493 3.059 20 0 DGADMP CC[C@@H](c1cccc(O[C@H]2CC[N@@H+](C)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228896743 1097212999 /nfs/dbraw/zinc/21/29/99/1097212999.db2.gz AVSBDHVZOCNHCQ-ZYSHUDEJSA-N 2 1 304.478 3.461 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172745753 1097224289 /nfs/dbraw/zinc/22/42/89/1097224289.db2.gz KNDIKRRKBDPVLR-HZPDHXFCSA-N 2 1 310.482 3.103 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172745753 1097224295 /nfs/dbraw/zinc/22/42/95/1097224295.db2.gz KNDIKRRKBDPVLR-HZPDHXFCSA-N 2 1 310.482 3.103 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172746319 1097224305 /nfs/dbraw/zinc/22/43/05/1097224305.db2.gz NZFDDVHZWFOSDK-IAGOWNOFSA-N 2 1 320.477 3.204 20 0 DGADMP CC(C)C[N@@H+]([C@H](C)CCC(=O)OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754748 1097230970 /nfs/dbraw/zinc/23/09/70/1097230970.db2.gz YOZGUFMLIAWWBL-BRWVUGGUSA-N 2 1 312.498 3.335 20 0 DGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780756 1097240229 /nfs/dbraw/zinc/24/02/29/1097240229.db2.gz TUUNUNVOFBNBNV-NXOAAHMSSA-N 2 1 310.482 3.089 20 0 DGADMP Cc1ccc2c(c1)C[C@@H](N1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001172838343 1097256414 /nfs/dbraw/zinc/25/64/14/1097256414.db2.gz NZEOOSXLEYBSBK-SFTDATJTSA-N 2 1 306.453 3.238 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172873210 1097271035 /nfs/dbraw/zinc/27/10/35/1097271035.db2.gz RNAIFUVNNWPSKU-LBPRGKRZSA-N 2 1 307.800 3.165 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172873210 1097271039 /nfs/dbraw/zinc/27/10/39/1097271039.db2.gz RNAIFUVNNWPSKU-LBPRGKRZSA-N 2 1 307.800 3.165 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172938278 1097287003 /nfs/dbraw/zinc/28/70/03/1097287003.db2.gz NTFPKRBYUUZBHB-QZTJIDSGSA-N 2 1 306.494 3.284 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206185546 1097307646 /nfs/dbraw/zinc/30/76/46/1097307646.db2.gz OGMDFLNLLZQYIC-KGLIPLIRSA-N 2 1 304.331 3.275 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCc2noc(C(C)C)n2)CC1 ZINC001173109837 1097331551 /nfs/dbraw/zinc/33/15/51/1097331551.db2.gz LVTOFULVZVIXPV-UHFFFAOYSA-N 2 1 322.497 3.320 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC001173113265 1097332874 /nfs/dbraw/zinc/33/28/74/1097332874.db2.gz LZXAOIRXIDVQGD-FAFZWHIHSA-N 2 1 317.477 3.188 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC001173114993 1097334251 /nfs/dbraw/zinc/33/42/51/1097334251.db2.gz VLUXAWMULFQYMQ-FAFZWHIHSA-N 2 1 317.477 3.108 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173328 1097354732 /nfs/dbraw/zinc/35/47/32/1097354732.db2.gz HZMGRKKUPGXAJX-YSIASYRMSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173328 1097354735 /nfs/dbraw/zinc/35/47/35/1097354735.db2.gz HZMGRKKUPGXAJX-YSIASYRMSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173328 1097354738 /nfs/dbraw/zinc/35/47/38/1097354738.db2.gz HZMGRKKUPGXAJX-YSIASYRMSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173323 1097355221 /nfs/dbraw/zinc/35/52/21/1097355221.db2.gz HZMGRKKUPGXAJX-DFQSSKMNSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173323 1097355225 /nfs/dbraw/zinc/35/52/25/1097355225.db2.gz HZMGRKKUPGXAJX-DFQSSKMNSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173173323 1097355229 /nfs/dbraw/zinc/35/52/29/1097355229.db2.gz HZMGRKKUPGXAJX-DFQSSKMNSA-N 2 1 314.473 3.152 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173201452 1097360417 /nfs/dbraw/zinc/36/04/17/1097360417.db2.gz DVFMSPCGBLHZKH-BUJABKPXSA-N 2 1 314.473 3.260 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173201452 1097360420 /nfs/dbraw/zinc/36/04/20/1097360420.db2.gz DVFMSPCGBLHZKH-BUJABKPXSA-N 2 1 314.473 3.260 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173201452 1097360422 /nfs/dbraw/zinc/36/04/22/1097360422.db2.gz DVFMSPCGBLHZKH-BUJABKPXSA-N 2 1 314.473 3.260 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202252 1097361448 /nfs/dbraw/zinc/36/14/48/1097361448.db2.gz PBIAGGSBDQYXGH-NHFHULPWSA-N 2 1 302.462 3.306 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173202252 1097361452 /nfs/dbraw/zinc/36/14/52/1097361452.db2.gz PBIAGGSBDQYXGH-NHFHULPWSA-N 2 1 302.462 3.306 20 0 DGADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001173205214 1097379842 /nfs/dbraw/zinc/37/98/42/1097379842.db2.gz NYWNHTQRRWVPDK-PXNSSMCTSA-N 2 1 324.468 3.257 20 0 DGADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001173205214 1097379847 /nfs/dbraw/zinc/37/98/47/1097379847.db2.gz NYWNHTQRRWVPDK-PXNSSMCTSA-N 2 1 324.468 3.257 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271597 1097390746 /nfs/dbraw/zinc/39/07/46/1097390746.db2.gz HISDNBPOLFHBCS-AFYVEPGGSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271597 1097390750 /nfs/dbraw/zinc/39/07/50/1097390750.db2.gz HISDNBPOLFHBCS-AFYVEPGGSA-N 2 1 316.489 3.038 20 0 DGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229868451 1097402621 /nfs/dbraw/zinc/40/26/21/1097402621.db2.gz HNXGKJYKFZVTIN-HNGSOEQISA-N 2 1 323.525 3.092 20 0 DGADMP CCSC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001173299191 1097402966 /nfs/dbraw/zinc/40/29/66/1097402966.db2.gz BRTXUCYZEWYESH-RRFJBIMHSA-N 2 1 310.532 3.253 20 0 DGADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)C1 ZINC001173276617 1097409641 /nfs/dbraw/zinc/40/96/41/1097409641.db2.gz JEDZEPFDBLFYHB-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276617 1097409643 /nfs/dbraw/zinc/40/96/43/1097409643.db2.gz JEDZEPFDBLFYHB-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276617 1097409644 /nfs/dbraw/zinc/40/96/44/1097409644.db2.gz JEDZEPFDBLFYHB-OJAHFUOMSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@H](n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)C1 ZINC001173279756 1097410766 /nfs/dbraw/zinc/41/07/66/1097410766.db2.gz JGXIEGJUPLVWDT-GJZGRUSLSA-N 2 1 304.482 3.120 20 0 DGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197880 1097417413 /nfs/dbraw/zinc/41/74/13/1097417413.db2.gz JUWHHQJIQNBUDS-DLBZAZTESA-N 2 1 302.393 3.110 20 0 DGADMP C[N@H+]1CCCN(CC[NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173342195 1097423787 /nfs/dbraw/zinc/42/37/87/1097423787.db2.gz WOWQZJCNARXZKM-SFHVURJKSA-N 2 1 307.526 3.107 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001173343543 1097423826 /nfs/dbraw/zinc/42/38/26/1097423826.db2.gz LLMALXKEYHYRLE-SFHVURJKSA-N 2 1 307.526 3.059 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001230284770 1097468836 /nfs/dbraw/zinc/46/88/36/1097468836.db2.gz UNDPOUWSOIGHQT-KURKYZTESA-N 2 1 323.525 3.068 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173599570 1097468865 /nfs/dbraw/zinc/46/88/65/1097468865.db2.gz PIRFNCBBVYFIDL-TVRKMHQQSA-N 2 1 324.509 3.210 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173619658 1097472388 /nfs/dbraw/zinc/47/23/88/1097472388.db2.gz BMTZKRDLIJDHKY-NVXWUHKLSA-N 2 1 310.482 3.092 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173629554 1097476715 /nfs/dbraw/zinc/47/67/15/1097476715.db2.gz AYDUTSUGJVFLEL-GVDBMIGSSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173629554 1097476719 /nfs/dbraw/zinc/47/67/19/1097476719.db2.gz AYDUTSUGJVFLEL-GVDBMIGSSA-N 2 1 322.493 3.105 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001230360183 1097481914 /nfs/dbraw/zinc/48/19/14/1097481914.db2.gz UQVXYGGMUKAIKG-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173710316 1097499267 /nfs/dbraw/zinc/49/92/67/1097499267.db2.gz WTWDUBJNKLCXJV-INIZCTEOSA-N 2 1 320.477 3.116 20 0 DGADMP Nc1[nH]c2cc(OC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001230508900 1097500553 /nfs/dbraw/zinc/50/05/53/1097500553.db2.gz YLZFJOTXKNPTSG-UHFFFAOYSA-N 2 1 322.412 3.189 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCCCOC)cc2)CC1 ZINC001231505507 1097767474 /nfs/dbraw/zinc/76/74/74/1097767474.db2.gz QFNHXRUHIQRQPH-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCCCOC)cc2)CC1 ZINC001231505507 1097767476 /nfs/dbraw/zinc/76/74/76/1097767476.db2.gz QFNHXRUHIQRQPH-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP Cc1[nH+]c2ccccn2c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174816315 1097846924 /nfs/dbraw/zinc/84/69/24/1097846924.db2.gz UQGMODBROAHYES-UHFFFAOYSA-N 2 1 321.428 3.138 20 0 DGADMP c1c(C[N@@H+](Cc2cccnc2)C2CCOCC2)[nH]c2cc[nH+]cc12 ZINC001232013696 1097916987 /nfs/dbraw/zinc/91/69/87/1097916987.db2.gz DELHTTCOGQSKFA-UHFFFAOYSA-N 2 1 322.412 3.139 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3ncccc3[nH]2)CC1 ZINC001232068147 1097929181 /nfs/dbraw/zinc/92/91/81/1097929181.db2.gz PYXXKNGTMSWNIX-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3ncccc3[nH]2)CC1 ZINC001232068147 1097929183 /nfs/dbraw/zinc/92/91/83/1097929183.db2.gz PYXXKNGTMSWNIX-UHFFFAOYSA-N 2 1 300.450 3.259 20 0 DGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001232146598 1097950223 /nfs/dbraw/zinc/95/02/23/1097950223.db2.gz VJRFCTANXZPTEC-CYBMUJFWSA-N 2 1 304.331 3.272 20 0 DGADMP C[NH+]1CCC(N2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001277627710 1097962578 /nfs/dbraw/zinc/96/25/78/1097962578.db2.gz ZLSNZBIZOMVFPG-HXUWFJFHSA-N 2 1 319.537 3.201 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc2c(F)cccc12 ZINC001232208855 1097965886 /nfs/dbraw/zinc/96/58/86/1097965886.db2.gz HSOMAJUDSHQUPA-UHFFFAOYSA-N 2 1 301.409 3.292 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc2c(F)cccc12 ZINC001232208855 1097965890 /nfs/dbraw/zinc/96/58/90/1097965890.db2.gz HSOMAJUDSHQUPA-UHFFFAOYSA-N 2 1 301.409 3.292 20 0 DGADMP COCc1cccc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001232257113 1097983950 /nfs/dbraw/zinc/98/39/50/1097983950.db2.gz IVKNQEMXGVYYLN-RBUKOAKNSA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001232257113 1097983956 /nfs/dbraw/zinc/98/39/56/1097983956.db2.gz IVKNQEMXGVYYLN-RBUKOAKNSA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001232257113 1097983959 /nfs/dbraw/zinc/98/39/59/1097983959.db2.gz IVKNQEMXGVYYLN-RBUKOAKNSA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001232257113 1097983964 /nfs/dbraw/zinc/98/39/64/1097983964.db2.gz IVKNQEMXGVYYLN-RBUKOAKNSA-N 2 1 317.477 3.067 20 0 DGADMP COCc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001232257113 1097983970 /nfs/dbraw/zinc/98/39/70/1097983970.db2.gz IVKNQEMXGVYYLN-RBUKOAKNSA-N 2 1 317.477 3.067 20 0 DGADMP COc1cc(C)c(C[N@@H+](C2CCCC2)C2CCN(C)CC2)cn1 ZINC001232356042 1098013895 /nfs/dbraw/zinc/01/38/95/1098013895.db2.gz SYPIMCQVBPJAJB-UHFFFAOYSA-N 2 1 317.477 3.237 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001232399061 1098027002 /nfs/dbraw/zinc/02/70/02/1098027002.db2.gz QZXUTMVQTYJGSV-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001232399061 1098027008 /nfs/dbraw/zinc/02/70/08/1098027008.db2.gz QZXUTMVQTYJGSV-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001232399061 1098027015 /nfs/dbraw/zinc/02/70/15/1098027015.db2.gz QZXUTMVQTYJGSV-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ccc(OC(C)C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001232399061 1098027021 /nfs/dbraw/zinc/02/70/21/1098027021.db2.gz QZXUTMVQTYJGSV-LJQANCHMSA-N 2 1 302.462 3.310 20 0 DGADMP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC001232462159 1098044067 /nfs/dbraw/zinc/04/40/67/1098044067.db2.gz KJHKUHUNGIRERU-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC001232462159 1098044073 /nfs/dbraw/zinc/04/40/73/1098044073.db2.gz KJHKUHUNGIRERU-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC001232462159 1098044081 /nfs/dbraw/zinc/04/40/81/1098044081.db2.gz KJHKUHUNGIRERU-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP CN(C)c1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001175504669 1098073485 /nfs/dbraw/zinc/07/34/85/1098073485.db2.gz AUNQAIYIZLZUJE-UHFFFAOYSA-N 2 1 308.429 3.349 20 0 DGADMP c1[nH]c2ccccc2c1CC[N@H+]1CCC12CN(c1cc[nH+]cc1)C2 ZINC001277694748 1098106096 /nfs/dbraw/zinc/10/60/96/1098106096.db2.gz UXRPKEBCTMNJIC-UHFFFAOYSA-N 2 1 318.424 3.070 20 0 DGADMP Cc1cc(O)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232884454 1098163184 /nfs/dbraw/zinc/16/31/84/1098163184.db2.gz NZZSMCGAWAAUCX-PMACEKPBSA-N 2 1 322.452 3.264 20 0 DGADMP C[NH2+][C@@]12CC[C@@](Nc3nc(NC(C)C)c(C)c[nH+]3)(C1)CCC2 ZINC001277737902 1098177251 /nfs/dbraw/zinc/17/72/51/1098177251.db2.gz IYNXPKXIIPYBJC-DLBZAZTESA-N 2 1 303.454 3.082 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233226918 1098255559 /nfs/dbraw/zinc/25/55/59/1098255559.db2.gz HCGHTAGFYCPJIE-UHFFFAOYSA-N 2 1 318.461 3.099 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233226918 1098255566 /nfs/dbraw/zinc/25/55/66/1098255566.db2.gz HCGHTAGFYCPJIE-UHFFFAOYSA-N 2 1 318.461 3.099 20 0 DGADMP COCOc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001233281401 1098273056 /nfs/dbraw/zinc/27/30/56/1098273056.db2.gz ZONCASPFFBKXTL-UHFFFAOYSA-N 2 1 320.477 3.222 20 0 DGADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001233367437 1098303194 /nfs/dbraw/zinc/30/31/94/1098303194.db2.gz IQRMXABZZMZOTQ-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233442667 1098334245 /nfs/dbraw/zinc/33/42/45/1098334245.db2.gz BCKIWXPWJCNDCF-CVEARBPZSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233442667 1098334253 /nfs/dbraw/zinc/33/42/53/1098334253.db2.gz BCKIWXPWJCNDCF-CVEARBPZSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233442667 1098334257 /nfs/dbraw/zinc/33/42/57/1098334257.db2.gz BCKIWXPWJCNDCF-CVEARBPZSA-N 2 1 315.848 3.272 20 0 DGADMP CC[NH+](CC)c1ccc(Nc2cnn(CC[NH+](C)C)c2)c(C)c1 ZINC001176448542 1098352373 /nfs/dbraw/zinc/35/23/73/1098352373.db2.gz HPLBCJIYBRPMQW-UHFFFAOYSA-N 2 1 315.465 3.343 20 0 DGADMP c1ccc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001176940682 1098452923 /nfs/dbraw/zinc/45/29/23/1098452923.db2.gz UZEUHEVQJMEPIB-LJQANCHMSA-N 2 1 302.462 3.326 20 0 DGADMP c1ccc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC001176940682 1098452928 /nfs/dbraw/zinc/45/29/28/1098452928.db2.gz UZEUHEVQJMEPIB-LJQANCHMSA-N 2 1 302.462 3.326 20 0 DGADMP CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCC[NH+](CC)CC)[C@H]1C ZINC001176915340 1098455931 /nfs/dbraw/zinc/45/59/31/1098455931.db2.gz JDSAPQUAXMBJHO-WCXIOVBPSA-N 2 1 312.498 3.016 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001177231566 1098498600 /nfs/dbraw/zinc/49/86/00/1098498600.db2.gz VVKYJKJAQMTEPR-HKUYNNGSSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001177231566 1098498602 /nfs/dbraw/zinc/49/86/02/1098498602.db2.gz VVKYJKJAQMTEPR-HKUYNNGSSA-N 2 1 303.494 3.142 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001177231566 1098498607 /nfs/dbraw/zinc/49/86/07/1098498607.db2.gz VVKYJKJAQMTEPR-HKUYNNGSSA-N 2 1 303.494 3.142 20 0 DGADMP C[N@H+]1CCc2c(cccc2OC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001234423425 1098552266 /nfs/dbraw/zinc/55/22/66/1098552266.db2.gz KFIAZSAWTAFLAL-UHFFFAOYSA-N 2 1 323.440 3.117 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001177611965 1098565247 /nfs/dbraw/zinc/56/52/47/1098565247.db2.gz MVOURQLSHZHVJR-LNLFQRSKSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001177611965 1098565259 /nfs/dbraw/zinc/56/52/59/1098565259.db2.gz MVOURQLSHZHVJR-LNLFQRSKSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001177611965 1098565266 /nfs/dbraw/zinc/56/52/66/1098565266.db2.gz MVOURQLSHZHVJR-LNLFQRSKSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177611966 1098565446 /nfs/dbraw/zinc/56/54/46/1098565446.db2.gz MVOURQLSHZHVJR-SCTDSRPQSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001177611966 1098565454 /nfs/dbraw/zinc/56/54/54/1098565454.db2.gz MVOURQLSHZHVJR-SCTDSRPQSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001177611966 1098565461 /nfs/dbraw/zinc/56/54/61/1098565461.db2.gz MVOURQLSHZHVJR-SCTDSRPQSA-N 2 1 303.494 3.142 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C)n1 ZINC001177669400 1098573786 /nfs/dbraw/zinc/57/37/86/1098573786.db2.gz XTXVRQKIDWOLQL-HXUWFJFHSA-N 2 1 323.484 3.353 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001177744657 1098598135 /nfs/dbraw/zinc/59/81/35/1098598135.db2.gz YUIXNKPOICHYTO-HNNXBMFYSA-N 2 1 307.457 3.102 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001177744657 1098598144 /nfs/dbraw/zinc/59/81/44/1098598144.db2.gz YUIXNKPOICHYTO-HNNXBMFYSA-N 2 1 307.457 3.102 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)c1 ZINC001234627573 1098623905 /nfs/dbraw/zinc/62/39/05/1098623905.db2.gz PVIJPYZRXLPUPU-KRWDZBQOSA-N 2 1 315.417 3.079 20 0 DGADMP COc1cccc(O[C@H]2CCCN(Cc3[nH]c(C)nc3C)C2)c1 ZINC001234627573 1098623911 /nfs/dbraw/zinc/62/39/11/1098623911.db2.gz PVIJPYZRXLPUPU-KRWDZBQOSA-N 2 1 315.417 3.079 20 0 DGADMP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001234972637 1098730422 /nfs/dbraw/zinc/73/04/22/1098730422.db2.gz DUACBNKVXOJEQC-NHCUHLMSSA-N 2 1 322.452 3.082 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001234972637 1098730437 /nfs/dbraw/zinc/73/04/37/1098730437.db2.gz DUACBNKVXOJEQC-NHCUHLMSSA-N 2 1 322.452 3.082 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234999449 1098742385 /nfs/dbraw/zinc/74/23/85/1098742385.db2.gz MGMSQKWFNZTHMR-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234999449 1098742395 /nfs/dbraw/zinc/74/23/95/1098742395.db2.gz MGMSQKWFNZTHMR-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccc(-n2ccnc2)c(Br)c1 ZINC001235020096 1098755639 /nfs/dbraw/zinc/75/56/39/1098755639.db2.gz OVFZJCDTOJSADP-UHFFFAOYSA-N 2 1 308.223 3.475 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277917053 1098755332 /nfs/dbraw/zinc/75/53/32/1098755332.db2.gz RAMCZTURDRGDGA-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277917053 1098755336 /nfs/dbraw/zinc/75/53/36/1098755336.db2.gz RAMCZTURDRGDGA-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)Oc1cc(F)ccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277917053 1098755343 /nfs/dbraw/zinc/75/53/43/1098755343.db2.gz RAMCZTURDRGDGA-IYBDPMFKSA-N 2 1 320.452 3.387 20 0 DGADMP Clc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)nc1 ZINC001235031652 1098759919 /nfs/dbraw/zinc/75/99/19/1098759919.db2.gz MZJQDMBEQGPWJD-MAUKXSAKSA-N 2 1 313.832 3.196 20 0 DGADMP Clc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)nc1 ZINC001235031652 1098759932 /nfs/dbraw/zinc/75/99/32/1098759932.db2.gz MZJQDMBEQGPWJD-MAUKXSAKSA-N 2 1 313.832 3.196 20 0 DGADMP Clc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)nc1 ZINC001235030926 1098760158 /nfs/dbraw/zinc/76/01/58/1098760158.db2.gz INUKLDAJWGLADE-MAUKXSAKSA-N 2 1 313.832 3.196 20 0 DGADMP Clc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)nc1 ZINC001235030926 1098760165 /nfs/dbraw/zinc/76/01/65/1098760165.db2.gz INUKLDAJWGLADE-MAUKXSAKSA-N 2 1 313.832 3.196 20 0 DGADMP Clc1ccc(-n2cccc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235032502 1098762345 /nfs/dbraw/zinc/76/23/45/1098762345.db2.gz LSYWPUDZZJYWJF-SFHVURJKSA-N 2 1 315.848 3.316 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235032502 1098762355 /nfs/dbraw/zinc/76/23/55/1098762355.db2.gz LSYWPUDZZJYWJF-SFHVURJKSA-N 2 1 315.848 3.316 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235039959 1098766849 /nfs/dbraw/zinc/76/68/49/1098766849.db2.gz JNULTGMXDQIXFX-QGZVFWFLSA-N 2 1 310.388 3.396 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039127 1098767508 /nfs/dbraw/zinc/76/75/08/1098767508.db2.gz UFROWUVDNPDBJX-FGTMMUONSA-N 2 1 306.494 3.090 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039127 1098767520 /nfs/dbraw/zinc/76/75/20/1098767520.db2.gz UFROWUVDNPDBJX-FGTMMUONSA-N 2 1 306.494 3.090 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235073014 1098784454 /nfs/dbraw/zinc/78/44/54/1098784454.db2.gz YNNXLVFMQOMSPQ-UHFFFAOYSA-N 2 1 316.449 3.209 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235073014 1098784465 /nfs/dbraw/zinc/78/44/65/1098784465.db2.gz YNNXLVFMQOMSPQ-UHFFFAOYSA-N 2 1 316.449 3.209 20 0 DGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235087575 1098792047 /nfs/dbraw/zinc/79/20/47/1098792047.db2.gz HQJYGBNCQKLGHN-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235087575 1098792056 /nfs/dbraw/zinc/79/20/56/1098792056.db2.gz HQJYGBNCQKLGHN-OAHLLOKOSA-N 2 1 314.807 3.469 20 0 DGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C(C)C ZINC001235091879 1098793631 /nfs/dbraw/zinc/79/36/31/1098793631.db2.gz DHOLASFIQQFPJN-UHFFFAOYSA-N 2 1 302.462 3.394 20 0 DGADMP c1ccc(-c2ccccc2C[N@H+]2CCC[C@]3(CNCCO3)C2)cc1 ZINC001235117291 1098817763 /nfs/dbraw/zinc/81/77/63/1098817763.db2.gz KYZUWJMCMLWHMI-NRFANRHFSA-N 2 1 322.452 3.308 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Oc4cccnc4)cc3)C[C@H]2C1 ZINC001235131306 1098828581 /nfs/dbraw/zinc/82/85/81/1098828581.db2.gz XSZSZWVDMLZLIV-QZTJIDSGSA-N 2 1 323.440 3.257 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC001235152269 1098837592 /nfs/dbraw/zinc/83/75/92/1098837592.db2.gz GGPLETZFEKOCTN-IBGZPJMESA-N 2 1 314.473 3.366 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1C(C)(C)C)[NH+]1CCCCC1 ZINC001178462406 1098838393 /nfs/dbraw/zinc/83/83/93/1098838393.db2.gz DYMXXRVITRDCMN-HNNXBMFYSA-N 2 1 306.498 3.072 20 0 DGADMP COc1cc(F)c(C)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154620 1098842063 /nfs/dbraw/zinc/84/20/63/1098842063.db2.gz IVWRVULHQGKEJQ-GOSISDBHSA-N 2 1 320.452 3.497 20 0 DGADMP c1n[nH]cc1C[N@H+]1CCCC2(CC[NH+](C3CCCC3)CC2)C1 ZINC001277928417 1098855135 /nfs/dbraw/zinc/85/51/35/1098855135.db2.gz HDTBIRLESLHGLZ-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235184750 1098863315 /nfs/dbraw/zinc/86/33/15/1098863315.db2.gz MXNCTXBIKAXJKP-UXHICEINSA-N 2 1 322.452 3.307 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235184218 1098863426 /nfs/dbraw/zinc/86/34/26/1098863426.db2.gz IDKBREJCTIDHRS-UXHICEINSA-N 2 1 322.452 3.404 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1C ZINC001235191347 1098866716 /nfs/dbraw/zinc/86/67/16/1098866716.db2.gz RXNOFAKWIPWFBY-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206336900 1098889612 /nfs/dbraw/zinc/88/96/12/1098889612.db2.gz OWFVSOAQOZHYJC-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP COC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206337013 1098891875 /nfs/dbraw/zinc/89/18/75/1098891875.db2.gz QEYRVFUWGVOLGO-KRWDZBQOSA-N 2 1 324.852 3.078 20 0 DGADMP COc1nccc(Cl)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235238968 1098910500 /nfs/dbraw/zinc/91/05/00/1098910500.db2.gz RLQUTGJMZDGOLU-INIZCTEOSA-N 2 1 323.868 3.098 20 0 DGADMP COc1c(F)ccc(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243714 1098916393 /nfs/dbraw/zinc/91/63/93/1098916393.db2.gz XQHOZBZTTRYPJQ-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP c1ccc(CC[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235248454 1098922830 /nfs/dbraw/zinc/92/28/30/1098922830.db2.gz UJMAWGVWIXPDMS-NHCUHLMSSA-N 2 1 306.453 3.451 20 0 DGADMP c1ccc(CC[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235248454 1098922840 /nfs/dbraw/zinc/92/28/40/1098922840.db2.gz UJMAWGVWIXPDMS-NHCUHLMSSA-N 2 1 306.453 3.451 20 0 DGADMP Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1OCc1ccccc1 ZINC001235254387 1098925012 /nfs/dbraw/zinc/92/50/12/1098925012.db2.gz IIGHPFASTCVUCS-UFYCRDLUSA-N 2 1 322.452 3.496 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1OCc1ccccc1 ZINC001235254387 1098925016 /nfs/dbraw/zinc/92/50/16/1098925016.db2.gz IIGHPFASTCVUCS-UFYCRDLUSA-N 2 1 322.452 3.496 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235254540 1098927821 /nfs/dbraw/zinc/92/78/21/1098927821.db2.gz JRGJZLXMMCOSHB-HOCLYGCPSA-N 2 1 312.379 3.322 20 0 DGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853443 1098952539 /nfs/dbraw/zinc/95/25/39/1098952539.db2.gz JWNDSOYMGPPARH-MRXNPFEDSA-N 2 1 313.530 3.029 20 0 DGADMP Oc1cc(Cl)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(Cl)c1 ZINC001235338177 1098962552 /nfs/dbraw/zinc/96/25/52/1098962552.db2.gz CTIPIEVJABUITM-UHFFFAOYSA-N 2 1 315.244 3.130 20 0 DGADMP c1ccc(C(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c2ccccc2)cc1 ZINC001235337260 1098963375 /nfs/dbraw/zinc/96/33/75/1098963375.db2.gz HWOOORWEUAQFBT-LJQANCHMSA-N 2 1 306.453 3.360 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235341538 1098964177 /nfs/dbraw/zinc/96/41/77/1098964177.db2.gz QHMUJDTVPQXWGC-KRWDZBQOSA-N 2 1 322.452 3.404 20 0 DGADMP Brc1ccsc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001178916648 1098970208 /nfs/dbraw/zinc/97/02/08/1098970208.db2.gz LBYCNOKYMRJPPH-UHFFFAOYSA-N 2 1 322.231 3.448 20 0 DGADMP CNc1ccccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235355791 1098974262 /nfs/dbraw/zinc/97/42/62/1098974262.db2.gz RTCPOYYOYNJLGU-TZIWHRDSSA-N 2 1 321.468 3.307 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](CCCc1ccccc1Cl)C2 ZINC001235405474 1099001300 /nfs/dbraw/zinc/00/13/00/1099001300.db2.gz PCPVDYFWEFLHGG-IAGOWNOFSA-N 2 1 310.844 3.296 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001235405474 1099001312 /nfs/dbraw/zinc/00/13/12/1099001312.db2.gz PCPVDYFWEFLHGG-IAGOWNOFSA-N 2 1 310.844 3.296 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c2occc21 ZINC001235410704 1099006222 /nfs/dbraw/zinc/00/62/22/1099006222.db2.gz YFRMXMLCSQEECU-DOTOQJQBSA-N 2 1 306.356 3.095 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c2occc21 ZINC001235410704 1099006235 /nfs/dbraw/zinc/00/62/35/1099006235.db2.gz YFRMXMLCSQEECU-DOTOQJQBSA-N 2 1 306.356 3.095 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC001235421131 1099013795 /nfs/dbraw/zinc/01/37/95/1099013795.db2.gz BEDVBQBZTPZIOR-ROUUACIJSA-N 2 1 317.477 3.080 20 0 DGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC001235425268 1099016340 /nfs/dbraw/zinc/01/63/40/1099016340.db2.gz IYIOZCKVWIVFAS-HUUCEWRRSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235425407 1099016727 /nfs/dbraw/zinc/01/67/27/1099016727.db2.gz IZEQBVGKGDLZLL-JKSUJKDBSA-N 2 1 308.416 3.485 20 0 DGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424074 1099017088 /nfs/dbraw/zinc/01/70/88/1099017088.db2.gz JLWQWRGACHNOAY-HUUCEWRRSA-N 2 1 308.416 3.219 20 0 DGADMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC001235426222 1099020066 /nfs/dbraw/zinc/02/00/66/1099020066.db2.gz JLGYWLKHHCQBQA-HUUCEWRRSA-N 2 1 307.507 3.026 20 0 DGADMP Cc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235430283 1099026777 /nfs/dbraw/zinc/02/67/77/1099026777.db2.gz WNOSPIIYWILTLO-GJZGRUSLSA-N 2 1 308.416 3.485 20 0 DGADMP COc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432399 1099029790 /nfs/dbraw/zinc/02/97/90/1099029790.db2.gz XKITTXIXQVRBRH-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP COc1c(Cl)cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Cl ZINC001235434022 1099031661 /nfs/dbraw/zinc/03/16/61/1099031661.db2.gz XNGSNAMAZMBFRC-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1F)CC1CC[NH2+]CC1 ZINC001235433566 1099031947 /nfs/dbraw/zinc/03/19/47/1099031947.db2.gz MOASXYLHNUIGCQ-UHFFFAOYSA-N 2 1 320.330 3.156 20 0 DGADMP CC(C)Oc1ccc(-c2ccc(C[N@H+](C)CCC[NH3+])cn2)cc1 ZINC001235440096 1099035934 /nfs/dbraw/zinc/03/59/34/1099035934.db2.gz FRAUVSNUDFQZOE-UHFFFAOYSA-N 2 1 313.445 3.316 20 0 DGADMP CC(C)Oc1ccc(-c2ccc(C[N@@H+](C)CCC[NH3+])cn2)cc1 ZINC001235440096 1099035946 /nfs/dbraw/zinc/03/59/46/1099035946.db2.gz FRAUVSNUDFQZOE-UHFFFAOYSA-N 2 1 313.445 3.316 20 0 DGADMP Cc1ccc(C[N@@H+]2CCCC3(CCN(C[C@@H](C)[NH3+])CC3)C2)cc1 ZINC001235598209 1099097237 /nfs/dbraw/zinc/09/72/37/1099097237.db2.gz VHXKERMHMMJPQY-GOSISDBHSA-N 3 1 315.505 3.020 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](C)O)C2 ZINC001277959296 1099109440 /nfs/dbraw/zinc/10/94/40/1099109440.db2.gz REZVNFSJVCUURX-QYZOEREBSA-N 2 1 310.526 3.372 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](C)O)C2 ZINC001277959296 1099109443 /nfs/dbraw/zinc/10/94/43/1099109443.db2.gz REZVNFSJVCUURX-QYZOEREBSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001235667380 1099112791 /nfs/dbraw/zinc/11/27/91/1099112791.db2.gz XPHWYNVQRZOZKR-OIISXLGYSA-N 2 1 308.416 3.357 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001235667380 1099112792 /nfs/dbraw/zinc/11/27/92/1099112792.db2.gz XPHWYNVQRZOZKR-OIISXLGYSA-N 2 1 308.416 3.357 20 0 DGADMP Fc1cccc(OC2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235670572 1099114284 /nfs/dbraw/zinc/11/42/84/1099114284.db2.gz VVHYFWQYFMUCBV-MRXNPFEDSA-N 2 1 306.425 3.201 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(F)c2OC(C)C)CC1 ZINC001235679636 1099121655 /nfs/dbraw/zinc/12/16/55/1099121655.db2.gz MDXDMEIINKSEJB-UHFFFAOYSA-N 2 1 312.404 3.183 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235687475 1099129081 /nfs/dbraw/zinc/12/90/81/1099129081.db2.gz ICOVWUIDVAVXDF-VQIMIIECSA-N 2 1 318.461 3.071 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710793 1099140031 /nfs/dbraw/zinc/14/00/31/1099140031.db2.gz FGFIMYQNHXTTLP-UHFFFAOYSA-N 2 1 310.441 3.424 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710793 1099140035 /nfs/dbraw/zinc/14/00/35/1099140035.db2.gz FGFIMYQNHXTTLP-UHFFFAOYSA-N 2 1 310.441 3.424 20 0 DGADMP C[NH2+]CCC[N@@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235710716 1099140065 /nfs/dbraw/zinc/14/00/65/1099140065.db2.gz RKPVQJUQTPPOCE-CQSZACIVSA-N 2 1 317.260 3.194 20 0 DGADMP C[NH2+]CCC[N@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235710716 1099140072 /nfs/dbraw/zinc/14/00/72/1099140072.db2.gz RKPVQJUQTPPOCE-CQSZACIVSA-N 2 1 317.260 3.194 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235713618 1099141146 /nfs/dbraw/zinc/14/11/46/1099141146.db2.gz MQBJCACRUFNAFK-UHFFFAOYSA-N 2 1 322.452 3.451 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235713618 1099141154 /nfs/dbraw/zinc/14/11/54/1099141154.db2.gz MQBJCACRUFNAFK-UHFFFAOYSA-N 2 1 322.452 3.451 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235713219 1099141261 /nfs/dbraw/zinc/14/12/61/1099141261.db2.gz KMSYWDPYYQKSEN-UHFFFAOYSA-N 2 1 307.441 3.242 20 0 DGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235713219 1099141265 /nfs/dbraw/zinc/14/12/65/1099141265.db2.gz KMSYWDPYYQKSEN-UHFFFAOYSA-N 2 1 307.441 3.242 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715895 1099143352 /nfs/dbraw/zinc/14/33/52/1099143352.db2.gz XGEFEBLEHQBRNG-HYVNUMGLSA-N 2 1 308.416 3.042 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715895 1099143358 /nfs/dbraw/zinc/14/33/58/1099143358.db2.gz XGEFEBLEHQBRNG-HYVNUMGLSA-N 2 1 308.416 3.042 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001235718994 1099145284 /nfs/dbraw/zinc/14/52/84/1099145284.db2.gz PXHJYHBZAAKAAA-BXUZGUMPSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001235718994 1099145290 /nfs/dbraw/zinc/14/52/90/1099145290.db2.gz PXHJYHBZAAKAAA-BXUZGUMPSA-N 2 1 302.796 3.263 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718287 1099146318 /nfs/dbraw/zinc/14/63/18/1099146318.db2.gz WELSRKYSXGOAEC-UHFFFAOYSA-N 2 1 308.441 3.434 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1OCc1ccccc1 ZINC001235750693 1099163668 /nfs/dbraw/zinc/16/36/68/1099163668.db2.gz RYESRTIPDQFFDU-GOSISDBHSA-N 2 1 310.441 3.355 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235808380 1099189566 /nfs/dbraw/zinc/18/95/66/1099189566.db2.gz CAMBNTSFSJNKDP-MUJYYYPQSA-N 2 1 323.278 3.466 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235808380 1099189567 /nfs/dbraw/zinc/18/95/67/1099189567.db2.gz CAMBNTSFSJNKDP-MUJYYYPQSA-N 2 1 323.278 3.466 20 0 DGADMP COc1cccc(CC[N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)c1 ZINC001235840354 1099203175 /nfs/dbraw/zinc/20/31/75/1099203175.db2.gz LRYUUGFUIHWACH-UHFFFAOYSA-N 2 1 316.470 3.077 20 0 DGADMP COc1ccccc1CC[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235841896 1099203944 /nfs/dbraw/zinc/20/39/44/1099203944.db2.gz JNTYZZAPPUSSIF-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842235 1099207234 /nfs/dbraw/zinc/20/72/34/1099207234.db2.gz MTLIRCZEPSFLHH-LLVKDONJSA-N 2 1 317.658 3.144 20 0 DGADMP C[N@H+](Cc1ccc(Cl)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842235 1099207238 /nfs/dbraw/zinc/20/72/38/1099207238.db2.gz MTLIRCZEPSFLHH-LLVKDONJSA-N 2 1 317.658 3.144 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C(C)C ZINC001179839030 1099216923 /nfs/dbraw/zinc/21/69/23/1099216923.db2.gz XBCIVEXEQRWGKZ-UHFFFAOYSA-N 2 1 313.530 3.173 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001235924906 1099261112 /nfs/dbraw/zinc/26/11/12/1099261112.db2.gz BSNJVKRSYZNQJK-AWEZNQCLSA-N 2 1 300.368 3.451 20 0 DGADMP Cc1c(C)c(C[N@@H+]2CCC[C@H]2CC[NH3+])ccc1Br ZINC001235925623 1099262215 /nfs/dbraw/zinc/26/22/15/1099262215.db2.gz MNGVXSPANNGLEO-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP Cc1c(C)c(C[N@H+]2CCC[C@H]2CC[NH3+])ccc1Br ZINC001235925623 1099262224 /nfs/dbraw/zinc/26/22/24/1099262224.db2.gz MNGVXSPANNGLEO-AWEZNQCLSA-N 2 1 311.267 3.379 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235928943 1099265231 /nfs/dbraw/zinc/26/52/31/1099265231.db2.gz FWUXKGQQPJXJIC-HUUCEWRRSA-N 2 1 312.379 3.179 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235928537 1099265281 /nfs/dbraw/zinc/26/52/81/1099265281.db2.gz ABUMZMWMSUBCIJ-VQTJNVASSA-N 2 1 322.452 3.307 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235936352 1099271234 /nfs/dbraw/zinc/27/12/34/1099271234.db2.gz GQQVEPLOGAHSCO-RTWAWAEBSA-N 2 1 306.453 3.319 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235936947 1099273292 /nfs/dbraw/zinc/27/32/92/1099273292.db2.gz OBYHTUOREOUCBJ-SJORKVTESA-N 2 1 302.462 3.132 20 0 DGADMP COCCC[N@@H+](Cc1ccc(Cl)cc1C)C1CC[NH2+]CC1 ZINC001235937500 1099273351 /nfs/dbraw/zinc/27/33/51/1099273351.db2.gz NRAWUEQHEGRORF-UHFFFAOYSA-N 2 1 310.869 3.239 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235943881 1099276990 /nfs/dbraw/zinc/27/69/90/1099276990.db2.gz ZQAXZXHOCCZSBN-LSDHHAIUSA-N 2 1 315.848 3.172 20 0 DGADMP COCC[N@@H+](Cc1cccc2c(F)cccc12)C1CC[NH2+]CC1 ZINC001235945048 1099278435 /nfs/dbraw/zinc/27/84/35/1099278435.db2.gz RGZPYKOVXRBSJT-UHFFFAOYSA-N 2 1 316.420 3.179 20 0 DGADMP c1ccc([C@@H]2CC[N@@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235949956 1099282382 /nfs/dbraw/zinc/28/23/82/1099282382.db2.gz XVTTXSDGQOXFDY-NRFANRHFSA-N 2 1 321.468 3.039 20 0 DGADMP C[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccc(C(F)(F)F)cc1 ZINC001235949563 1099283661 /nfs/dbraw/zinc/28/36/61/1099283661.db2.gz BQGLYXKSJJFXSW-UHFFFAOYSA-N 2 1 323.362 3.242 20 0 DGADMP C[N@@H+](Cc1cccn1-c1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC001235950898 1099285198 /nfs/dbraw/zinc/28/51/98/1099285198.db2.gz PCGXVTVZVSPRMH-HNNXBMFYSA-N 2 1 301.409 3.048 20 0 DGADMP C[N@H+](Cc1cccn1-c1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC001235950898 1099285202 /nfs/dbraw/zinc/28/52/02/1099285202.db2.gz PCGXVTVZVSPRMH-HNNXBMFYSA-N 2 1 301.409 3.048 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001235963970 1099296135 /nfs/dbraw/zinc/29/61/35/1099296135.db2.gz XGPWOZSIFNOXJB-RHSMWYFYSA-N 2 1 306.400 3.267 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001235963970 1099296141 /nfs/dbraw/zinc/29/61/41/1099296141.db2.gz XGPWOZSIFNOXJB-RHSMWYFYSA-N 2 1 306.400 3.267 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001235963972 1099296183 /nfs/dbraw/zinc/29/61/83/1099296183.db2.gz XGPWOZSIFNOXJB-YOEHRIQHSA-N 2 1 306.400 3.267 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001235963972 1099296185 /nfs/dbraw/zinc/29/61/85/1099296185.db2.gz XGPWOZSIFNOXJB-YOEHRIQHSA-N 2 1 306.400 3.267 20 0 DGADMP C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC001235969167 1099298243 /nfs/dbraw/zinc/29/82/43/1099298243.db2.gz OWUWHAIOTMUZQC-QAPCUYQASA-N 2 1 322.880 3.277 20 0 DGADMP Cc1cc(C)c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)[nH]1 ZINC001235973532 1099300324 /nfs/dbraw/zinc/30/03/24/1099300324.db2.gz GYOIPOHOZMZWLE-UHFFFAOYSA-N 2 1 309.457 3.269 20 0 DGADMP CNc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235978339 1099306415 /nfs/dbraw/zinc/30/64/15/1099306415.db2.gz RXHOYRRNUYJOFC-UHFFFAOYSA-N 2 1 321.468 3.365 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2F)C1 ZINC001180082775 1099306647 /nfs/dbraw/zinc/30/66/47/1099306647.db2.gz SHBZDAGQVSMKMX-QGZVFWFLSA-N 2 1 308.441 3.067 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(F)c1 ZINC001236010999 1099336696 /nfs/dbraw/zinc/33/66/96/1099336696.db2.gz XQNPIVJEAOIZOZ-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(F)c1 ZINC001236010999 1099336707 /nfs/dbraw/zinc/33/67/07/1099336707.db2.gz XQNPIVJEAOIZOZ-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP COc1cccc(CCC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001236043202 1099344988 /nfs/dbraw/zinc/34/49/88/1099344988.db2.gz VOLPNEYUVNLCAR-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP CC/C=C\CCCCCC[NH+]1CCC([C@H]([NH3+])C(=O)OC)CC1 ZINC001236067912 1099366958 /nfs/dbraw/zinc/36/69/58/1099366958.db2.gz RNBXEEJNBSTMGN-CHYADLBTSA-N 2 1 310.482 3.115 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001236079789 1099375247 /nfs/dbraw/zinc/37/52/47/1099375247.db2.gz YPPQZGVHKPWZCE-BXUZGUMPSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001236079789 1099375258 /nfs/dbraw/zinc/37/52/58/1099375258.db2.gz YPPQZGVHKPWZCE-BXUZGUMPSA-N 2 1 314.807 3.189 20 0 DGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236080465 1099376968 /nfs/dbraw/zinc/37/69/68/1099376968.db2.gz SXGGKTYFSBSPRQ-MJGOQNOKSA-N 2 1 307.526 3.114 20 0 DGADMP C[C@H]1C[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)CCc2ccc(Cl)cc21 ZINC001236085553 1099377598 /nfs/dbraw/zinc/37/75/98/1099377598.db2.gz RHQNXXQRFVGCIR-BBRMVZONSA-N 2 1 322.880 3.416 20 0 DGADMP C[C@H]1C[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)CCc2ccc(Cl)cc21 ZINC001236085553 1099377612 /nfs/dbraw/zinc/37/76/12/1099377612.db2.gz RHQNXXQRFVGCIR-BBRMVZONSA-N 2 1 322.880 3.416 20 0 DGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](CC1(F)CC[NH2+]CC1)C2 ZINC001236086578 1099378451 /nfs/dbraw/zinc/37/84/51/1099378451.db2.gz LOLONNZHGUMJKU-UHFFFAOYSA-N 2 1 316.342 3.155 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001236098096 1099388155 /nfs/dbraw/zinc/38/81/55/1099388155.db2.gz NOFKTHLXDKYKRZ-SFHVURJKSA-N 2 1 314.473 3.264 20 0 DGADMP CCCC[C@H]1CN(Cc2ccccc2-n2cc[nH+]c2C)CC[NH2+]1 ZINC001236138186 1099425101 /nfs/dbraw/zinc/42/51/01/1099425101.db2.gz GCQLBZCRNFPGDR-SFHVURJKSA-N 2 1 312.461 3.145 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001204270430 1099431128 /nfs/dbraw/zinc/43/11/28/1099431128.db2.gz UPCLYMVCXLZRHG-HDICACEKSA-N 2 1 302.462 3.105 20 0 DGADMP Clc1ccc([C@@]23C[C@@H]2C[N@@H+](CCC2C[NH2+]C2)C3)cc1Cl ZINC001236154893 1099435606 /nfs/dbraw/zinc/43/56/06/1099435606.db2.gz FKVHPRXURPDKBI-CJNGLKHVSA-N 2 1 311.256 3.176 20 0 DGADMP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@H+](C)CC1C[NH2+]C1 ZINC001236162213 1099438392 /nfs/dbraw/zinc/43/83/92/1099438392.db2.gz ZTTKBSUDNXZYQJ-OXQOHEQNSA-N 2 1 310.441 3.346 20 0 DGADMP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)CC1C[NH2+]C1 ZINC001236162213 1099438396 /nfs/dbraw/zinc/43/83/96/1099438396.db2.gz ZTTKBSUDNXZYQJ-OXQOHEQNSA-N 2 1 310.441 3.346 20 0 DGADMP CCC[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)C1CC[NH2+]CC1 ZINC001236185048 1099455417 /nfs/dbraw/zinc/45/54/17/1099455417.db2.gz UMPGCCPTHDWCPE-UHFFFAOYSA-N 2 1 319.468 3.390 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236208728 1099463709 /nfs/dbraw/zinc/46/37/09/1099463709.db2.gz IDWDGCCZIAVIQE-FQEVSTJZSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+]CCCCCN1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001236208728 1099463714 /nfs/dbraw/zinc/46/37/14/1099463714.db2.gz IDWDGCCZIAVIQE-FQEVSTJZSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+]CCCCCN1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001236208728 1099463719 /nfs/dbraw/zinc/46/37/19/1099463719.db2.gz IDWDGCCZIAVIQE-FQEVSTJZSA-N 2 1 315.505 3.244 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)c(F)c1F ZINC001236213714 1099468520 /nfs/dbraw/zinc/46/85/20/1099468520.db2.gz SVVLLQYDDIKCDG-UHFFFAOYSA-N 2 1 312.404 3.326 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C(=O)OC)cc2Cl)CC1 ZINC001236215848 1099471229 /nfs/dbraw/zinc/47/12/29/1099471229.db2.gz RRCQLCSLNKJFPS-UHFFFAOYSA-N 2 1 324.852 3.089 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236219789 1099477717 /nfs/dbraw/zinc/47/77/17/1099477717.db2.gz XQYCBSBKHTUGJK-SJLPKXTDSA-N 2 1 301.434 3.268 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236219789 1099477727 /nfs/dbraw/zinc/47/77/27/1099477727.db2.gz XQYCBSBKHTUGJK-SJLPKXTDSA-N 2 1 301.434 3.268 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236219793 1099478391 /nfs/dbraw/zinc/47/83/91/1099478391.db2.gz XQYCBSBKHTUGJK-WMZOPIPTSA-N 2 1 301.434 3.268 20 0 DGADMP CCOc1ccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236219793 1099478398 /nfs/dbraw/zinc/47/83/98/1099478398.db2.gz XQYCBSBKHTUGJK-WMZOPIPTSA-N 2 1 301.434 3.268 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221156 1099480179 /nfs/dbraw/zinc/48/01/79/1099480179.db2.gz BDMMWGZYYHXTHS-HDJSIYSDSA-N 2 1 311.267 3.459 20 0 DGADMP Fc1ccc(S[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236223453 1099481868 /nfs/dbraw/zinc/48/18/68/1099481868.db2.gz PUSRKYMMENRQDM-PBHICJAKSA-N 2 1 308.466 3.382 20 0 DGADMP [NH3+]Cc1cccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)c1 ZINC001236227743 1099484098 /nfs/dbraw/zinc/48/40/98/1099484098.db2.gz BFISWBRVDVETDU-UHFFFAOYSA-N 3 1 323.484 3.417 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCCCC[NH3+] ZINC001236236625 1099489303 /nfs/dbraw/zinc/48/93/03/1099489303.db2.gz KHYCRCWQTSUHAT-ZACQAIPSSA-N 2 1 324.509 3.480 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCCCC[NH3+] ZINC001236236624 1099489506 /nfs/dbraw/zinc/48/95/06/1099489506.db2.gz KHYCRCWQTSUHAT-ULQDDVLXSA-N 2 1 324.509 3.480 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCCC[NH3+] ZINC001236235963 1099489792 /nfs/dbraw/zinc/48/97/92/1099489792.db2.gz HRFGWJMYYVZDQH-JYJNAYRXSA-N 2 1 310.482 3.090 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001236240591 1099493551 /nfs/dbraw/zinc/49/35/51/1099493551.db2.gz NIMWGTVBDBYDQO-HXUWFJFHSA-N 3 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001236240591 1099493556 /nfs/dbraw/zinc/49/35/56/1099493556.db2.gz NIMWGTVBDBYDQO-HXUWFJFHSA-N 3 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001236240591 1099493562 /nfs/dbraw/zinc/49/35/62/1099493562.db2.gz NIMWGTVBDBYDQO-HXUWFJFHSA-N 3 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001236240591 1099493563 /nfs/dbraw/zinc/49/35/63/1099493563.db2.gz NIMWGTVBDBYDQO-HXUWFJFHSA-N 2 1 315.505 3.104 20 0 DGADMP [NH3+]CCCCC[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001236240591 1099493568 /nfs/dbraw/zinc/49/35/68/1099493568.db2.gz NIMWGTVBDBYDQO-HXUWFJFHSA-N 2 1 315.505 3.104 20 0 DGADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236239656 1099493675 /nfs/dbraw/zinc/49/36/75/1099493675.db2.gz GWDLSSNYHQGNCF-PMOLBWCYSA-N 2 1 308.425 3.376 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[C@@H]1CCCC[NH2+]1 ZINC001236253146 1099502625 /nfs/dbraw/zinc/50/26/25/1099502625.db2.gz KCWKPMMRESHOPW-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CC[NH2+]CC2)cc1 ZINC001236287433 1099519333 /nfs/dbraw/zinc/51/93/33/1099519333.db2.gz UGQDTJVUFPGGHC-UHFFFAOYSA-N 2 1 324.424 3.170 20 0 DGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CC[NH2+]CC2)cc1 ZINC001236287433 1099519349 /nfs/dbraw/zinc/51/93/49/1099519349.db2.gz UGQDTJVUFPGGHC-UHFFFAOYSA-N 2 1 324.424 3.170 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236303175 1099522889 /nfs/dbraw/zinc/52/28/89/1099522889.db2.gz MLFQIFNCIBYZOH-UHFFFAOYSA-N 2 1 316.489 3.339 20 0 DGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)CCN3)C2CC[NH2+]CC2)cc1 ZINC001236300668 1099523425 /nfs/dbraw/zinc/52/34/25/1099523425.db2.gz JFAUAENMHOITQM-UHFFFAOYSA-N 2 1 321.468 3.409 20 0 DGADMP CNc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236304587 1099525763 /nfs/dbraw/zinc/52/57/63/1099525763.db2.gz LKGLEPFOBBDLMR-UHFFFAOYSA-N 2 1 309.457 3.483 20 0 DGADMP Clc1ccccc1[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236314243 1099528549 /nfs/dbraw/zinc/52/85/49/1099528549.db2.gz IXUMNVRRUAERAI-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccccc1[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236314243 1099528557 /nfs/dbraw/zinc/52/85/57/1099528557.db2.gz IXUMNVRRUAERAI-YOEHRIQHSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314273 1099528992 /nfs/dbraw/zinc/52/89/92/1099528992.db2.gz AKDLDMVMZPRBOR-GASCZTMLSA-N 2 1 315.848 3.320 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c12 ZINC001236315657 1099530162 /nfs/dbraw/zinc/53/01/62/1099530162.db2.gz MFVDCUGCHDFXRK-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236316518 1099530455 /nfs/dbraw/zinc/53/04/55/1099530455.db2.gz TZUPBZVIDZQPCN-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP Fc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236314741 1099530573 /nfs/dbraw/zinc/53/05/73/1099530573.db2.gz GLPAPHLQDGMMBE-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP CC1(C[N@@H+]2CCOC[C@@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001236315611 1099531017 /nfs/dbraw/zinc/53/10/17/1099531017.db2.gz QQFWMYDBFJPUOA-MRXNPFEDSA-N 2 1 308.853 3.103 20 0 DGADMP CC1(C[N@H+]2CCOC[C@@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001236315611 1099531028 /nfs/dbraw/zinc/53/10/28/1099531028.db2.gz QQFWMYDBFJPUOA-MRXNPFEDSA-N 2 1 308.853 3.103 20 0 DGADMP Fc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236320749 1099533598 /nfs/dbraw/zinc/53/35/98/1099533598.db2.gz DJSYXCDOJVEZMC-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)nc1 ZINC001236319907 1099534297 /nfs/dbraw/zinc/53/42/97/1099534297.db2.gz HQPLTBOMEWWDON-KDURUIRLSA-N 2 1 307.441 3.180 20 0 DGADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C(F)F ZINC001236320093 1099534460 /nfs/dbraw/zinc/53/44/60/1099534460.db2.gz BHFBVLJPFQVOKS-OKILXGFUSA-N 2 1 310.388 3.064 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322077 1099535723 /nfs/dbraw/zinc/53/57/23/1099535723.db2.gz VLQNCRQYDMNESJ-GASCZTMLSA-N 2 1 306.425 3.044 20 0 DGADMP CCCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001236323223 1099537632 /nfs/dbraw/zinc/53/76/32/1099537632.db2.gz YVAPZFJSUOMPTH-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CCCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC001236323224 1099537915 /nfs/dbraw/zinc/53/79/15/1099537915.db2.gz YVAPZFJSUOMPTH-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP CCOc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cn1 ZINC001236374908 1099561022 /nfs/dbraw/zinc/56/10/22/1099561022.db2.gz GJCLAXZEBPEXKH-MRXNPFEDSA-N 2 1 317.477 3.225 20 0 DGADMP c1[nH]nc2ccc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cc12 ZINC001236375662 1099563262 /nfs/dbraw/zinc/56/32/62/1099563262.db2.gz LXJQRXVYYKQABP-INIZCTEOSA-N 2 1 312.461 3.307 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1CCN2 ZINC001236376803 1099563796 /nfs/dbraw/zinc/56/37/96/1099563796.db2.gz VXXQQSBBPDGINW-QGZVFWFLSA-N 2 1 313.489 3.399 20 0 DGADMP CCOC(C)(C)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402112 1099575656 /nfs/dbraw/zinc/57/56/56/1099575656.db2.gz VKKMOASAEFQQRR-UHFFFAOYSA-N 2 1 308.441 3.195 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407301 1099578828 /nfs/dbraw/zinc/57/88/28/1099578828.db2.gz CXHDUVDPVPBSGX-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407301 1099578834 /nfs/dbraw/zinc/57/88/34/1099578834.db2.gz CXHDUVDPVPBSGX-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP Nc1cccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001236406781 1099578954 /nfs/dbraw/zinc/57/89/54/1099578954.db2.gz JXHPFLOFMWLWLL-UHFFFAOYSA-N 2 1 313.420 3.162 20 0 DGADMP Nc1cccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001236406781 1099578965 /nfs/dbraw/zinc/57/89/65/1099578965.db2.gz JXHPFLOFMWLWLL-UHFFFAOYSA-N 2 1 313.420 3.162 20 0 DGADMP CC[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409176 1099582596 /nfs/dbraw/zinc/58/25/96/1099582596.db2.gz YCDAZWKWIRBABU-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP CC[N@@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@H]1CC[NH2+]C1 ZINC001236408409 1099582772 /nfs/dbraw/zinc/58/27/72/1099582772.db2.gz LPBRMZBJUZNEHZ-KRWDZBQOSA-N 2 1 317.477 3.225 20 0 DGADMP CC[N@H+](Cc1ccc(OC2CCCCC2)nc1)C[C@H]1CC[NH2+]C1 ZINC001236408409 1099582782 /nfs/dbraw/zinc/58/27/82/1099582782.db2.gz LPBRMZBJUZNEHZ-KRWDZBQOSA-N 2 1 317.477 3.225 20 0 DGADMP CC[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236410271 1099584125 /nfs/dbraw/zinc/58/41/25/1099584125.db2.gz XVSVHXQVBAXOQS-LLVKDONJSA-N 2 1 318.795 3.373 20 0 DGADMP CC[N@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236410271 1099584134 /nfs/dbraw/zinc/58/41/34/1099584134.db2.gz XVSVHXQVBAXOQS-LLVKDONJSA-N 2 1 318.795 3.373 20 0 DGADMP CC[N@H+](Cc1cc(C)cc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409837 1099584236 /nfs/dbraw/zinc/58/42/36/1099584236.db2.gz XMXMJFKXDKXBRZ-CYBMUJFWSA-N 2 1 316.367 3.325 20 0 DGADMP CC[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236409799 1099584969 /nfs/dbraw/zinc/58/49/69/1099584969.db2.gz WWHPYKMZNMEGBO-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236409799 1099584983 /nfs/dbraw/zinc/58/49/83/1099584983.db2.gz WWHPYKMZNMEGBO-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@H+](Cc1cc2cc(OC)ccc2s1)C[C@@H]1CC[NH2+]C1 ZINC001236412155 1099586397 /nfs/dbraw/zinc/58/63/97/1099586397.db2.gz SQEQMIMZNPEXLR-CYBMUJFWSA-N 2 1 304.459 3.341 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236413937 1099588046 /nfs/dbraw/zinc/58/80/46/1099588046.db2.gz PURKFATYPSQQBV-PMOLBWCYSA-N 2 1 308.425 3.012 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236413937 1099588057 /nfs/dbraw/zinc/58/80/57/1099588057.db2.gz PURKFATYPSQQBV-PMOLBWCYSA-N 2 1 308.425 3.012 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416688 1099590800 /nfs/dbraw/zinc/59/08/00/1099590800.db2.gz VUTFITSVHMIBMV-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236416688 1099590810 /nfs/dbraw/zinc/59/08/10/1099590810.db2.gz VUTFITSVHMIBMV-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP COc1ccc2c(c1)C[N@H+](CC1CC3(C1)CC[NH2+]CC3)CCC2 ZINC001236434928 1099610553 /nfs/dbraw/zinc/61/05/53/1099610553.db2.gz ZQHWHNXIQKIYRJ-UHFFFAOYSA-N 2 1 314.473 3.223 20 0 DGADMP [NH3+]CCCCCC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449820 1099617826 /nfs/dbraw/zinc/61/78/26/1099617826.db2.gz BQMZXQBSKMFHJD-UHFFFAOYSA-N 3 1 323.912 3.413 20 0 DGADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449820 1099617828 /nfs/dbraw/zinc/61/78/28/1099617828.db2.gz BQMZXQBSKMFHJD-UHFFFAOYSA-N 3 1 323.912 3.413 20 0 DGADMP CCOc1ncc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1C ZINC001236457984 1099620181 /nfs/dbraw/zinc/62/01/81/1099620181.db2.gz SIXOHRFKECYDPE-UHFFFAOYSA-N 2 1 319.493 3.389 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC001236458013 1099622614 /nfs/dbraw/zinc/62/26/14/1099622614.db2.gz PKKBFPUKXLPCBO-UHFFFAOYSA-N 2 1 302.462 3.222 20 0 DGADMP CCOc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1O ZINC001236458069 1099623568 /nfs/dbraw/zinc/62/35/68/1099623568.db2.gz QSSXNIMCTFTUNX-UHFFFAOYSA-N 2 1 320.477 3.391 20 0 DGADMP CCOCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001236461406 1099625227 /nfs/dbraw/zinc/62/52/27/1099625227.db2.gz WSBPOQKEPOCTFA-KRWDZBQOSA-N 2 1 308.510 3.459 20 0 DGADMP CCOCC[N@@H+](Cc1ccc(C2CC2)cc1)C1CC[NH2+]CC1 ZINC001236461663 1099625545 /nfs/dbraw/zinc/62/55/45/1099625545.db2.gz OEGIDXIRBMQRSV-UHFFFAOYSA-N 2 1 302.462 3.155 20 0 DGADMP Cc1noc2ccc(C[N@@H+](CC(C)C)[C@@H]3CCC[NH2+]C3)cc12 ZINC001236479150 1099636693 /nfs/dbraw/zinc/63/66/93/1099636693.db2.gz SKMBSPWQYWYVDM-MRXNPFEDSA-N 2 1 301.434 3.346 20 0 DGADMP Cc1noc2ccc(C[N@H+](CC(C)C)[C@@H]3CCC[NH2+]C3)cc12 ZINC001236479150 1099636695 /nfs/dbraw/zinc/63/66/95/1099636695.db2.gz SKMBSPWQYWYVDM-MRXNPFEDSA-N 2 1 301.434 3.346 20 0 DGADMP Cc1cc(F)cc(C[N@@H+](CCCCCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001236480213 1099636860 /nfs/dbraw/zinc/63/68/60/1099636860.db2.gz AMISREAXMVWPFB-UHFFFAOYSA-N 3 1 321.484 3.207 20 0 DGADMP Cc1cc(F)cc(CN(CCCCCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001236480213 1099636863 /nfs/dbraw/zinc/63/68/63/1099636863.db2.gz AMISREAXMVWPFB-UHFFFAOYSA-N 2 1 321.484 3.207 20 0 DGADMP Cc1cc(F)cc(C[N@H+](C[C@@H]2CCC=CO2)C2CC[NH2+]CC2)c1 ZINC001236480746 1099638615 /nfs/dbraw/zinc/63/86/15/1099638615.db2.gz IIXMKVQRYSNFJZ-IBGZPJMESA-N 2 1 318.436 3.381 20 0 DGADMP Cc1cc(F)cc(C[N@@H+](C[C@@H]2CCC=CO2)C2CC[NH2+]CC2)c1 ZINC001236480746 1099638621 /nfs/dbraw/zinc/63/86/21/1099638621.db2.gz IIXMKVQRYSNFJZ-IBGZPJMESA-N 2 1 318.436 3.381 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)CC1CCN(c2ccccc2)CC1 ZINC001236522620 1099658946 /nfs/dbraw/zinc/65/89/46/1099658946.db2.gz QYCYMCJMVNVRIO-UHFFFAOYSA-N 2 1 323.484 3.364 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)CC1CCN(c2ccccc2)CC1 ZINC001236522620 1099658953 /nfs/dbraw/zinc/65/89/53/1099658953.db2.gz QYCYMCJMVNVRIO-UHFFFAOYSA-N 2 1 323.484 3.364 20 0 DGADMP CC(C)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC001236529436 1099664819 /nfs/dbraw/zinc/66/48/19/1099664819.db2.gz YXFLSKQLMGQVJQ-PMACEKPBSA-N 2 1 315.505 3.113 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCCCO)Cc2ccccc2F)CC1 ZINC001236534528 1099670034 /nfs/dbraw/zinc/67/00/34/1099670034.db2.gz WIRUGZGALYDWMX-QAQDUYKDSA-N 2 1 308.441 3.060 20 0 DGADMP COc1ccc(C)cc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550125 1099675880 /nfs/dbraw/zinc/67/58/80/1099675880.db2.gz DTMYKDXLJMBPGE-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2nsnc2c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550877 1099676187 /nfs/dbraw/zinc/67/61/87/1099676187.db2.gz OEMHWFXBHGBATK-SHTZXODSSA-N 2 1 318.490 3.419 20 0 DGADMP CCCOc1ncccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552171 1099676902 /nfs/dbraw/zinc/67/69/02/1099676902.db2.gz JRXRCLVVMCICGV-IYARVYRRSA-N 2 1 317.477 3.352 20 0 DGADMP COc1c(C)cnc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001236554674 1099677422 /nfs/dbraw/zinc/67/74/22/1099677422.db2.gz PVMNYSWKRIEGMF-QAQDUYKDSA-N 2 1 319.493 3.435 20 0 DGADMP COc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1C ZINC001236553114 1099677502 /nfs/dbraw/zinc/67/75/02/1099677502.db2.gz MYZNARRIGKOGST-IYARVYRRSA-N 2 1 302.462 3.486 20 0 DGADMP Cc1ccccc1C[N@@H+](Cc1ccnc(N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556994 1099679135 /nfs/dbraw/zinc/67/91/35/1099679135.db2.gz GGIILRVWBNDCNI-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(N2CCCC2)c1 ZINC001236599236 1099694776 /nfs/dbraw/zinc/69/47/76/1099694776.db2.gz APELUMVOMUKIGI-GOSISDBHSA-N 2 1 313.489 3.251 20 0 DGADMP CCOc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(C)c1 ZINC001236600032 1099695514 /nfs/dbraw/zinc/69/55/14/1099695514.db2.gz YBRZKDIZPHKUMQ-INIZCTEOSA-N 2 1 302.462 3.358 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236599689 1099695677 /nfs/dbraw/zinc/69/56/77/1099695677.db2.gz VTGJPGJVFDHBHQ-INIZCTEOSA-N 2 1 324.472 3.349 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236616050 1099707596 /nfs/dbraw/zinc/70/75/96/1099707596.db2.gz LNGCKVXGWCFVOA-FQEVSTJZSA-N 2 1 310.441 3.436 20 0 DGADMP FC1(F)Oc2cccc(C[N@H+](C3CCC3)C3CC[NH2+]CC3)c2O1 ZINC001236632923 1099715408 /nfs/dbraw/zinc/71/54/08/1099715408.db2.gz CWKZRXGZROZUJN-UHFFFAOYSA-N 2 1 324.371 3.115 20 0 DGADMP FC1(F)Oc2cccc(C[N@@H+](C3CCC3)C3CC[NH2+]CC3)c2O1 ZINC001236632923 1099715415 /nfs/dbraw/zinc/71/54/15/1099715415.db2.gz CWKZRXGZROZUJN-UHFFFAOYSA-N 2 1 324.371 3.115 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236645686 1099719922 /nfs/dbraw/zinc/71/99/22/1099719922.db2.gz ACWJJKZFXPDLGN-UHFFFAOYSA-N 2 1 302.462 3.419 20 0 DGADMP COc1ccc2sc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cc2c1 ZINC001236668329 1099734383 /nfs/dbraw/zinc/73/43/83/1099734383.db2.gz UXBQWMWUOVDLAG-RDTXWAMCSA-N 2 1 316.470 3.293 20 0 DGADMP COc1ccc2sc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cc2c1 ZINC001236668329 1099734391 /nfs/dbraw/zinc/73/43/91/1099734391.db2.gz UXBQWMWUOVDLAG-RDTXWAMCSA-N 2 1 316.470 3.293 20 0 DGADMP Cc1n[nH]c(C)c1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236682329 1099740883 /nfs/dbraw/zinc/74/08/83/1099740883.db2.gz SJCNKPDSHVELJT-IYARVYRRSA-N 2 1 312.461 3.299 20 0 DGADMP Cc1ccc(C[N@@H+](Cc2cccnc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236727303 1099761138 /nfs/dbraw/zinc/76/11/38/1099761138.db2.gz WPFKRJMBJMHJRB-WGSAOQKQSA-N 2 1 324.472 3.244 20 0 DGADMP Cc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726624 1099762002 /nfs/dbraw/zinc/76/20/02/1099762002.db2.gz LJRDULOFYNMPAT-UFYCRDLUSA-N 3 1 315.505 3.067 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCC[NH2+]2)CC1 ZINC001236741314 1099767309 /nfs/dbraw/zinc/76/73/09/1099767309.db2.gz DWVAMDJIAPAHCV-GUDVDZBRSA-N 3 1 319.468 3.040 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C[C@H]2CCCC[NH2+]2)CC1 ZINC001236741314 1099767315 /nfs/dbraw/zinc/76/73/15/1099767315.db2.gz DWVAMDJIAPAHCV-GUDVDZBRSA-N 3 1 319.468 3.040 20 0 DGADMP Nc1ncccc1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236759300 1099772711 /nfs/dbraw/zinc/77/27/11/1099772711.db2.gz SBDATJPBJATPPY-IYARVYRRSA-N 2 1 316.493 3.316 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780578 1099780836 /nfs/dbraw/zinc/78/08/36/1099780836.db2.gz UURXEAVFRRDNGN-WGSAOQKQSA-N 3 1 315.505 3.408 20 0 DGADMP CCC(CC)[N@@H+](Cc1cnc(NC)s1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790518 1099785116 /nfs/dbraw/zinc/78/51/16/1099785116.db2.gz JGCMLSHKTMIJRL-MQMHXKEQSA-N 2 1 310.511 3.445 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC001236821566 1099805159 /nfs/dbraw/zinc/80/51/59/1099805159.db2.gz VQJICKWNRQPECD-VNQPRFMTSA-N 2 1 312.379 3.307 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236827788 1099811559 /nfs/dbraw/zinc/81/15/59/1099811559.db2.gz GRGCPVMSMXGKSS-SNRMKQJTSA-N 2 1 302.462 3.260 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236831972 1099817551 /nfs/dbraw/zinc/81/75/51/1099817551.db2.gz SKCYWPRRCROAJG-NUEKZKHPSA-N 2 1 323.278 3.181 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236831972 1099817564 /nfs/dbraw/zinc/81/75/64/1099817564.db2.gz SKCYWPRRCROAJG-NUEKZKHPSA-N 2 1 323.278 3.181 20 0 DGADMP CCC[N@H+](Cc1ccccc1N1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC001236836885 1099822351 /nfs/dbraw/zinc/82/23/51/1099822351.db2.gz YXSTVPMUNZUWTA-GOSISDBHSA-N 2 1 315.505 3.498 20 0 DGADMP CCC[N@@H+](Cc1ccc(Cl)c(OC)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236836866 1099823164 /nfs/dbraw/zinc/82/31/64/1099823164.db2.gz YUTWYFINGJBOJM-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1ccc(Cl)c(OC)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236836866 1099823169 /nfs/dbraw/zinc/82/31/69/1099823169.db2.gz YUTWYFINGJBOJM-GFCCVEGCSA-N 2 1 314.832 3.309 20 0 DGADMP CCC[N@H+](Cc1cc2cc(OC)ccc2o1)C[C@H]1CC[NH2+]C1 ZINC001236836278 1099823641 /nfs/dbraw/zinc/82/36/41/1099823641.db2.gz UMPOYCFLCYQMHU-AWEZNQCLSA-N 2 1 302.418 3.263 20 0 DGADMP CCC[N@H+](Cc1cccn1Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236841969 1099826354 /nfs/dbraw/zinc/82/63/54/1099826354.db2.gz BLLYQPOGMVEKSG-LJQANCHMSA-N 2 1 311.473 3.358 20 0 DGADMP CCC[N@H+](Cc1ccc(OC)cc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236843358 1099829540 /nfs/dbraw/zinc/82/95/40/1099829540.db2.gz NIAUENJZCSMNFP-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)c2)CC1 ZINC001236887099 1099849722 /nfs/dbraw/zinc/84/97/22/1099849722.db2.gz GNUSSWCEENYASW-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236886312 1099850465 /nfs/dbraw/zinc/85/04/65/1099850465.db2.gz BXWNGDPENLTMIH-CALCHBBNSA-N 2 1 301.478 3.201 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@H]3c3ccccc3)c2)CC1 ZINC001236888269 1099853564 /nfs/dbraw/zinc/85/35/64/1099853564.db2.gz AMRJLVROXSJIAT-NRFANRHFSA-N 2 1 321.468 3.385 20 0 DGADMP C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(-n2ccnc2)cc1Cl ZINC001236914101 1099873704 /nfs/dbraw/zinc/87/37/04/1099873704.db2.gz QEIODGRLJLNEAA-KGLIPLIRSA-N 2 1 319.836 3.119 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001236918107 1099876048 /nfs/dbraw/zinc/87/60/48/1099876048.db2.gz XJZKJPFABUAOAK-YOEHRIQHSA-N 2 1 317.820 3.137 20 0 DGADMP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965492 1099894452 /nfs/dbraw/zinc/89/44/52/1099894452.db2.gz CSOIUAARGQNQLW-HOTGVXAUSA-N 2 1 319.468 3.340 20 0 DGADMP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236967268 1099895465 /nfs/dbraw/zinc/89/54/65/1099895465.db2.gz MYGHBMCKNJQOJK-GOSISDBHSA-N 2 1 319.468 3.198 20 0 DGADMP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236967268 1099895468 /nfs/dbraw/zinc/89/54/68/1099895468.db2.gz MYGHBMCKNJQOJK-GOSISDBHSA-N 2 1 319.468 3.198 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2C[C@@H](N)c2ccccc2)cc1 ZINC001237045208 1099941278 /nfs/dbraw/zinc/94/12/78/1099941278.db2.gz ZASUCPUFZFQOIT-MOPGFXCFSA-N 2 1 324.424 3.310 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCCN2C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001237045208 1099941290 /nfs/dbraw/zinc/94/12/90/1099941290.db2.gz ZASUCPUFZFQOIT-MOPGFXCFSA-N 2 1 324.424 3.310 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001237043776 1099941539 /nfs/dbraw/zinc/94/15/39/1099941539.db2.gz UEQCQBNEFKQWAL-ROUUACIJSA-N 2 1 316.445 3.142 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237060273 1099951935 /nfs/dbraw/zinc/95/19/35/1099951935.db2.gz ZDNSXABHBUYBQB-IBGZPJMESA-N 2 1 318.461 3.203 20 0 DGADMP Cc1c(C[N@H+]2CC[C@@]3(C2)CNCCO3)cccc1-c1ccccc1 ZINC001237143145 1099991685 /nfs/dbraw/zinc/99/16/85/1099991685.db2.gz PPDJMSBEESNEOP-NRFANRHFSA-N 2 1 322.452 3.226 20 0 DGADMP [NH3+]CCCC[N@@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC001237205900 1100031456 /nfs/dbraw/zinc/03/14/56/1100031456.db2.gz ZWAPMLBXCPLMHC-UHFFFAOYSA-N 2 1 309.251 3.277 20 0 DGADMP N[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001237246593 1100048529 /nfs/dbraw/zinc/04/85/29/1100048529.db2.gz CHXQBNASYVBFHP-UXHICEINSA-N 2 1 312.432 3.403 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC001237246593 1100048535 /nfs/dbraw/zinc/04/85/35/1100048535.db2.gz CHXQBNASYVBFHP-UXHICEINSA-N 2 1 312.432 3.403 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001237246593 1100048542 /nfs/dbraw/zinc/04/85/42/1100048542.db2.gz CHXQBNASYVBFHP-UXHICEINSA-N 2 1 312.432 3.403 20 0 DGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001237246593 1100048548 /nfs/dbraw/zinc/04/85/48/1100048548.db2.gz CHXQBNASYVBFHP-UXHICEINSA-N 2 1 312.432 3.403 20 0 DGADMP Fc1ccc(CC[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237299794 1100068498 /nfs/dbraw/zinc/06/84/98/1100068498.db2.gz JDNWQXVKQFDLKD-UHFFFAOYSA-N 2 1 310.416 3.463 20 0 DGADMP Fc1ccc(CC[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237299794 1100068502 /nfs/dbraw/zinc/06/85/02/1100068502.db2.gz JDNWQXVKQFDLKD-UHFFFAOYSA-N 2 1 310.416 3.463 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237384109 1100102290 /nfs/dbraw/zinc/10/22/90/1100102290.db2.gz UKZNLFQMNMLGTQ-QFBILLFUSA-N 2 1 310.441 3.422 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237383907 1100102728 /nfs/dbraw/zinc/10/27/28/1100102728.db2.gz SNQHPIIFZGXZHZ-AZUAARDMSA-N 2 1 310.441 3.422 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237384433 1100102877 /nfs/dbraw/zinc/10/28/77/1100102877.db2.gz WWETYPGCVBXBGT-DZGCQCFKSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237384433 1100102882 /nfs/dbraw/zinc/10/28/82/1100102882.db2.gz WWETYPGCVBXBGT-DZGCQCFKSA-N 2 1 314.351 3.159 20 0 DGADMP COc1c(C)cccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001237506017 1100153458 /nfs/dbraw/zinc/15/34/58/1100153458.db2.gz PKAJMIVMRLLGQU-UHFFFAOYSA-N 2 1 311.429 3.029 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3cccc(-c4ccccc4)n3)C[C@H]2C1 ZINC001237554866 1100170884 /nfs/dbraw/zinc/17/08/84/1100170884.db2.gz UQIZRYLCMAXJSF-HDICACEKSA-N 2 1 307.441 3.132 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237554866 1100170887 /nfs/dbraw/zinc/17/08/87/1100170887.db2.gz UQIZRYLCMAXJSF-HDICACEKSA-N 2 1 307.441 3.132 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237554866 1100170894 /nfs/dbraw/zinc/17/08/94/1100170894.db2.gz UQIZRYLCMAXJSF-HDICACEKSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237554866 1100170896 /nfs/dbraw/zinc/17/08/96/1100170896.db2.gz UQIZRYLCMAXJSF-HDICACEKSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001237554866 1100170900 /nfs/dbraw/zinc/17/09/00/1100170900.db2.gz UQIZRYLCMAXJSF-HDICACEKSA-N 2 1 307.441 3.132 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3CO)cc21 ZINC001237880748 1100281083 /nfs/dbraw/zinc/28/10/83/1100281083.db2.gz JXXRTHNFMJLQQQ-DNVCBOLYSA-N 2 1 314.473 3.281 20 0 DGADMP CC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237888017 1100281738 /nfs/dbraw/zinc/28/17/38/1100281738.db2.gz YREXALGEAQTFKI-GOSISDBHSA-N 2 1 312.457 3.489 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)cc21 ZINC001237888796 1100283905 /nfs/dbraw/zinc/28/39/05/1100283905.db2.gz DYPCDYNTYODGAX-LJQANCHMSA-N 2 1 312.457 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cc21 ZINC001237888796 1100283924 /nfs/dbraw/zinc/28/39/24/1100283924.db2.gz DYPCDYNTYODGAX-LJQANCHMSA-N 2 1 312.457 3.299 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C1CCOCC1 ZINC001237914682 1100293513 /nfs/dbraw/zinc/29/35/13/1100293513.db2.gz ULDGVOXOOMMIDW-UHFFFAOYSA-N 2 1 304.478 3.354 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104000 1100362529 /nfs/dbraw/zinc/36/25/29/1100362529.db2.gz PUGCBWRKXGUPIV-OAHLLOKOSA-N 2 1 307.397 3.332 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104000 1100362536 /nfs/dbraw/zinc/36/25/36/1100362536.db2.gz PUGCBWRKXGUPIV-OAHLLOKOSA-N 2 1 307.397 3.332 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238111730 1100365942 /nfs/dbraw/zinc/36/59/42/1100365942.db2.gz WZBOEZKUQCOZIF-OAHLLOKOSA-N 2 1 309.413 3.406 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001205545593 1100367061 /nfs/dbraw/zinc/36/70/61/1100367061.db2.gz JUCBXDWLOUTENH-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001191119735 1100404764 /nfs/dbraw/zinc/40/47/64/1100404764.db2.gz AIJWFIKOOWUGIP-UYAOXDASSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(C)cc1Br ZINC001238270212 1100407119 /nfs/dbraw/zinc/40/71/19/1100407119.db2.gz AEOHSQOZXAOVCQ-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(C)cc1Br ZINC001238270212 1100407126 /nfs/dbraw/zinc/40/71/26/1100407126.db2.gz AEOHSQOZXAOVCQ-UHFFFAOYSA-N 2 1 313.283 3.449 20 0 DGADMP COc1c(Cl)ccc(F)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001238336944 1100418411 /nfs/dbraw/zinc/41/84/11/1100418411.db2.gz AOGKDJIVBKFRRT-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CC(C)Oc1c(F)ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1F ZINC001238532272 1100466735 /nfs/dbraw/zinc/46/67/35/1100466735.db2.gz WBJYGUBNKKQCDM-HIFRSBDPSA-N 2 1 324.415 3.136 20 0 DGADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(F)c(-c4ccccc4)c3)C[C@H]2C1 ZINC001238550572 1100469210 /nfs/dbraw/zinc/46/92/10/1100469210.db2.gz GLOOPMVYUJJZQX-HDICACEKSA-N 2 1 310.416 3.486 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(-c4ccccc4)c3)C[C@@H]2C1 ZINC001238550572 1100469211 /nfs/dbraw/zinc/46/92/11/1100469211.db2.gz GLOOPMVYUJJZQX-HDICACEKSA-N 2 1 310.416 3.486 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(-c4ccccc4)c3)C[C@@H]2C1 ZINC001238550572 1100469214 /nfs/dbraw/zinc/46/92/14/1100469214.db2.gz GLOOPMVYUJJZQX-HDICACEKSA-N 2 1 310.416 3.486 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4ccccc4)c3)C[C@@H]2C1 ZINC001238550572 1100469217 /nfs/dbraw/zinc/46/92/17/1100469217.db2.gz GLOOPMVYUJJZQX-HDICACEKSA-N 2 1 310.416 3.486 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c(-c4ccccc4)c3)C[C@@H]2C1 ZINC001238550572 1100469222 /nfs/dbraw/zinc/46/92/22/1100469222.db2.gz GLOOPMVYUJJZQX-HDICACEKSA-N 2 1 310.416 3.486 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](COC)Cc1ccccc1 ZINC001191454724 1100474459 /nfs/dbraw/zinc/47/44/59/1100474459.db2.gz QGFTZPWKBXSKLR-FQEVSTJZSA-N 2 1 318.505 3.442 20 0 DGADMP CC[NH+](CC)CCCN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001191510918 1100476109 /nfs/dbraw/zinc/47/61/09/1100476109.db2.gz SLUZRPWMFTZCEE-FQEVSTJZSA-N 2 1 317.521 3.315 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccccc4)c(C)c3)C[C@@H]2C1 ZINC001238618299 1100485381 /nfs/dbraw/zinc/48/53/81/1100485381.db2.gz PLRNPUFKSDCAFZ-PMACEKPBSA-N 2 1 321.468 3.441 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001205579170 1100576755 /nfs/dbraw/zinc/57/67/55/1100576755.db2.gz KYNMHFFJCQIOGX-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001205579170 1100576760 /nfs/dbraw/zinc/57/67/60/1100576760.db2.gz KYNMHFFJCQIOGX-CQSZACIVSA-N 2 1 306.759 3.271 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC001192868288 1100668662 /nfs/dbraw/zinc/66/86/62/1100668662.db2.gz GDGFWIXTSWSQAL-OALUTQOASA-N 2 1 306.494 3.409 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(O)CCCCCC1 ZINC001193355747 1100731543 /nfs/dbraw/zinc/73/15/43/1100731543.db2.gz YRKPEPOIFQTPRM-UHFFFAOYSA-N 2 1 307.482 3.243 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(O)CCCCCC1 ZINC001193355747 1100731550 /nfs/dbraw/zinc/73/15/50/1100731550.db2.gz YRKPEPOIFQTPRM-UHFFFAOYSA-N 2 1 307.482 3.243 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3ccc(C4([NH3+])CC4)cc3)cc2)CC1 ZINC001240401579 1100977943 /nfs/dbraw/zinc/97/79/43/1100977943.db2.gz IFRHQNNASVICPW-UHFFFAOYSA-N 2 1 321.468 3.049 20 0 DGADMP C[C@@H]([NH3+])c1ccccc1-c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001240415558 1100987162 /nfs/dbraw/zinc/98/71/62/1100987162.db2.gz UKYLKZZPOXKLBZ-MRXNPFEDSA-N 2 1 309.457 3.121 20 0 DGADMP [NH3+]CCc1cccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001240861351 1101162668 /nfs/dbraw/zinc/16/26/68/1101162668.db2.gz QKCJSSHDWURVDY-UHFFFAOYSA-N 2 1 322.452 3.176 20 0 DGADMP C[NH2+]Cc1ccccc1-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001240868718 1101164782 /nfs/dbraw/zinc/16/47/82/1101164782.db2.gz NHBDAGYLNDZDSE-UHFFFAOYSA-N 2 1 322.452 3.394 20 0 DGADMP C(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)=C1CC[NH2+]CC1 ZINC001240873976 1101167147 /nfs/dbraw/zinc/16/71/47/1101167147.db2.gz OIEGSVFXPZMCAW-UHFFFAOYSA-N 2 1 319.452 3.407 20 0 DGADMP Fc1cc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(F)c1 ZINC001241171022 1101283257 /nfs/dbraw/zinc/28/32/57/1101283257.db2.gz GNMXQYQPMWRUAG-UHFFFAOYSA-N 2 1 303.287 3.105 20 0 DGADMP CCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(F)c1 ZINC001241275110 1101340090 /nfs/dbraw/zinc/34/00/90/1101340090.db2.gz ZCRVKQXQRMFLNC-UHFFFAOYSA-N 2 1 311.360 3.226 20 0 DGADMP C[C@H]1CCC[C@H](CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC001196631429 1101353055 /nfs/dbraw/zinc/35/30/55/1101353055.db2.gz FBGYCUOZLKUOQD-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@H]1CCC[C@H](CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC001196631429 1101353065 /nfs/dbraw/zinc/35/30/65/1101353065.db2.gz FBGYCUOZLKUOQD-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP C[N@@H+]1CC=C(c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)CC1 ZINC001241330131 1101379736 /nfs/dbraw/zinc/37/97/36/1101379736.db2.gz JVQUFFYTOVZKJS-KRWDZBQOSA-N 2 1 308.429 3.220 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1CCC(C)(C)CC1 ZINC001196783224 1101385388 /nfs/dbraw/zinc/38/53/88/1101385388.db2.gz YJPGBNCGESMVML-UHFFFAOYSA-N 2 1 310.526 3.493 20 0 DGADMP COCC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961798 1101446286 /nfs/dbraw/zinc/44/62/86/1101446286.db2.gz MBGMYURZYYFOEA-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP COCC[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961798 1101446292 /nfs/dbraw/zinc/44/62/92/1101446292.db2.gz MBGMYURZYYFOEA-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP COCC[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961798 1101446299 /nfs/dbraw/zinc/44/62/99/1101446299.db2.gz MBGMYURZYYFOEA-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP COCC[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961798 1101446303 /nfs/dbraw/zinc/44/63/03/1101446303.db2.gz MBGMYURZYYFOEA-YSIASYRMSA-N 2 1 316.489 3.255 20 0 DGADMP COc1c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc(F)c1F ZINC001278330683 1101506580 /nfs/dbraw/zinc/50/65/80/1101506580.db2.gz WMOJRNNEFGUMOY-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP CCCOc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241591363 1101567239 /nfs/dbraw/zinc/56/72/39/1101567239.db2.gz TZZNPKBIDHHSGY-UHFFFAOYSA-N 2 1 307.397 3.477 20 0 DGADMP CCC1(CC)CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001197513909 1101576863 /nfs/dbraw/zinc/57/68/63/1101576863.db2.gz FMWHPIWPFWJNTC-SFHVURJKSA-N 2 1 304.478 3.134 20 0 DGADMP CCC1(CC)CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001197513909 1101576871 /nfs/dbraw/zinc/57/68/71/1101576871.db2.gz FMWHPIWPFWJNTC-SFHVURJKSA-N 2 1 304.478 3.134 20 0 DGADMP CCC1(CC)CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001197513909 1101576878 /nfs/dbraw/zinc/57/68/78/1101576878.db2.gz FMWHPIWPFWJNTC-SFHVURJKSA-N 2 1 304.478 3.134 20 0 DGADMP CCC1(CC)CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001197513909 1101576886 /nfs/dbraw/zinc/57/68/86/1101576886.db2.gz FMWHPIWPFWJNTC-SFHVURJKSA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)Oc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1 ZINC001241653676 1101610986 /nfs/dbraw/zinc/61/09/86/1101610986.db2.gz LLSGMXPPQJIJBQ-UHFFFAOYSA-N 2 1 315.392 3.085 20 0 DGADMP c1cc(C[NH+]2CCOCC2)cc(-c2ccc([C@H]3CC[NH2+]C3)cc2)c1 ZINC001241818456 1101724292 /nfs/dbraw/zinc/72/42/92/1101724292.db2.gz PXEHQERJPUWIMC-NRFANRHFSA-N 2 1 322.452 3.263 20 0 DGADMP Fc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203914388 1101951951 /nfs/dbraw/zinc/95/19/51/1101951951.db2.gz UJCPHVNBRILMOX-IYBDPMFKSA-N 2 1 316.445 3.451 20 0 DGADMP Cc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1N(C)C ZINC001242241006 1102002551 /nfs/dbraw/zinc/00/25/51/1102002551.db2.gz CVYJMPJEDZCWOY-UHFFFAOYSA-N 2 1 306.413 3.063 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cccc2nsnc21 ZINC001198901034 1102014894 /nfs/dbraw/zinc/01/48/94/1102014894.db2.gz OOWRTRPLGABMRB-UHFFFAOYSA-N 2 1 306.479 3.293 20 0 DGADMP CC[N@@H+](CCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)C(C)C ZINC001199991108 1102266058 /nfs/dbraw/zinc/26/60/58/1102266058.db2.gz RBUCXYKTVHBQLS-IEBWSBKVSA-N 2 1 303.494 3.142 20 0 DGADMP CC[NH+](CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC001199991108 1102266076 /nfs/dbraw/zinc/26/60/76/1102266076.db2.gz RBUCXYKTVHBQLS-IEBWSBKVSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCc1ccccc1Br ZINC001205900963 1102399394 /nfs/dbraw/zinc/39/93/94/1102399394.db2.gz ACIMBESJWJNOKW-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccccc1Br ZINC001205900963 1102399406 /nfs/dbraw/zinc/39/94/06/1102399406.db2.gz ACIMBESJWJNOKW-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901562 1102400944 /nfs/dbraw/zinc/40/09/44/1102400944.db2.gz DFPQWSOHNFCGMT-MNOVXSKESA-N 2 1 304.331 3.404 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001205901562 1102400946 /nfs/dbraw/zinc/40/09/46/1102400946.db2.gz DFPQWSOHNFCGMT-MNOVXSKESA-N 2 1 304.331 3.404 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205902020 1102402681 /nfs/dbraw/zinc/40/26/81/1102402681.db2.gz GYUNRHMDLBTSSA-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205902020 1102402683 /nfs/dbraw/zinc/40/26/83/1102402683.db2.gz GYUNRHMDLBTSSA-STQMWFEESA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccccc1C(F)(F)F ZINC001205902031 1102404160 /nfs/dbraw/zinc/40/41/60/1102404160.db2.gz GZLUEBYOVKDTOJ-OCCSQVGLSA-N 2 1 300.368 3.307 20 0 DGADMP CC(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471232 1102623217 /nfs/dbraw/zinc/62/32/17/1102623217.db2.gz QTXDBAXLZNYKRR-YTQUADARSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471232 1102623219 /nfs/dbraw/zinc/62/32/19/1102623219.db2.gz QTXDBAXLZNYKRR-YTQUADARSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471232 1102623221 /nfs/dbraw/zinc/62/32/21/1102623221.db2.gz QTXDBAXLZNYKRR-YTQUADARSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201471232 1102623224 /nfs/dbraw/zinc/62/32/24/1102623224.db2.gz QTXDBAXLZNYKRR-YTQUADARSA-N 2 1 301.478 3.270 20 0 DGADMP CSc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1F ZINC001243363421 1102683790 /nfs/dbraw/zinc/68/37/90/1102683790.db2.gz FYCAXZAPOQUBEE-UHFFFAOYSA-N 2 1 303.406 3.019 20 0 DGADMP CCCC[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201709779 1102696043 /nfs/dbraw/zinc/69/60/43/1102696043.db2.gz DEQKSTMNEZVBIG-UHFFFAOYSA-N 2 1 313.445 3.465 20 0 DGADMP CCCC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201709779 1102696046 /nfs/dbraw/zinc/69/60/46/1102696046.db2.gz DEQKSTMNEZVBIG-UHFFFAOYSA-N 2 1 313.445 3.465 20 0 DGADMP CCCC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001201709779 1102696048 /nfs/dbraw/zinc/69/60/48/1102696048.db2.gz DEQKSTMNEZVBIG-UHFFFAOYSA-N 2 1 313.445 3.465 20 0 DGADMP CCCC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001201709779 1102696050 /nfs/dbraw/zinc/69/60/50/1102696050.db2.gz DEQKSTMNEZVBIG-UHFFFAOYSA-N 2 1 313.445 3.465 20 0 DGADMP CCCCCC[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201750450 1102715677 /nfs/dbraw/zinc/71/56/77/1102715677.db2.gz LLLJBTLPCJSHEO-RTBURBONSA-N 2 1 301.478 3.416 20 0 DGADMP FC1(F)CC[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001201917792 1102760578 /nfs/dbraw/zinc/76/05/78/1102760578.db2.gz FGGWUKTZPGUQKY-QGZVFWFLSA-N 2 1 321.415 3.025 20 0 DGADMP FC1(F)CC[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001201917792 1102760587 /nfs/dbraw/zinc/76/05/87/1102760587.db2.gz FGGWUKTZPGUQKY-QGZVFWFLSA-N 2 1 321.415 3.025 20 0 DGADMP FC1(F)CC[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001201917792 1102760595 /nfs/dbraw/zinc/76/05/95/1102760595.db2.gz FGGWUKTZPGUQKY-QGZVFWFLSA-N 2 1 321.415 3.025 20 0 DGADMP FC1(F)CC[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001201917792 1102760608 /nfs/dbraw/zinc/76/06/08/1102760608.db2.gz FGGWUKTZPGUQKY-QGZVFWFLSA-N 2 1 321.415 3.025 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001201946438 1102766403 /nfs/dbraw/zinc/76/64/03/1102766403.db2.gz CKWPLFRLGRCHPG-UONOGXRCSA-N 2 1 307.507 3.448 20 0 DGADMP CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001201946438 1102766410 /nfs/dbraw/zinc/76/64/10/1102766410.db2.gz CKWPLFRLGRCHPG-UONOGXRCSA-N 2 1 307.507 3.448 20 0 DGADMP Cc1nc2ccc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)cc2[nH]1 ZINC001243967091 1103093558 /nfs/dbraw/zinc/09/35/58/1103093558.db2.gz QZDXKSZBCVNVKF-UHFFFAOYSA-N 2 1 320.440 3.461 20 0 DGADMP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000687952002 1103177583 /nfs/dbraw/zinc/17/75/83/1103177583.db2.gz VWMUKXRMVKZGFQ-UHFFFAOYSA-N 2 1 316.470 3.042 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)[nH]n1 ZINC001326255650 1103248416 /nfs/dbraw/zinc/24/84/16/1103248416.db2.gz DXVMNUJUEKPVHT-UHFFFAOYSA-N 2 1 312.461 3.240 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001206606805 1103366657 /nfs/dbraw/zinc/36/66/57/1103366657.db2.gz SUUQCIRJKHQPNA-AWEZNQCLSA-N 2 1 311.267 3.052 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2cccc(Br)c2)C1 ZINC001206606805 1103366663 /nfs/dbraw/zinc/36/66/63/1103366663.db2.gz SUUQCIRJKHQPNA-AWEZNQCLSA-N 2 1 311.267 3.052 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001326906468 1103476403 /nfs/dbraw/zinc/47/64/03/1103476403.db2.gz KDIYAIPTSLWMMJ-INIZCTEOSA-N 2 1 312.417 3.361 20 0 DGADMP Cc1ccccc1NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001326940191 1103483906 /nfs/dbraw/zinc/48/39/06/1103483906.db2.gz GMBCWPBSKHSJQF-CQSZACIVSA-N 2 1 302.466 3.442 20 0 DGADMP Fc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001276327963 1103500917 /nfs/dbraw/zinc/50/09/17/1103500917.db2.gz KEXWHEONFWOIQN-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001276343774 1103517016 /nfs/dbraw/zinc/51/70/16/1103517016.db2.gz MRBVQOBIKWHRMN-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001276343774 1103517023 /nfs/dbraw/zinc/51/70/23/1103517023.db2.gz MRBVQOBIKWHRMN-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001276343774 1103517034 /nfs/dbraw/zinc/51/70/34/1103517034.db2.gz MRBVQOBIKWHRMN-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1ccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)nc1 ZINC001276343679 1103517419 /nfs/dbraw/zinc/51/74/19/1103517419.db2.gz KTMVINGOXOFKOO-UHFFFAOYSA-N 2 1 303.425 3.061 20 0 DGADMP Cc1cccc(C)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276362807 1103539262 /nfs/dbraw/zinc/53/92/62/1103539262.db2.gz MZHWYDLWMPFIOC-UHFFFAOYSA-N 2 1 324.472 3.125 20 0 DGADMP c1cc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)co1 ZINC001327207142 1103584783 /nfs/dbraw/zinc/58/47/83/1103584783.db2.gz VWRBKCHRWACQIO-UHFFFAOYSA-N 2 1 317.458 3.369 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202502148 1103830196 /nfs/dbraw/zinc/83/01/96/1103830196.db2.gz GMUITZGYBGNFMS-GOSISDBHSA-N 2 1 302.462 3.009 20 0 DGADMP CCOc1ccc(Cl)cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001245109055 1103863693 /nfs/dbraw/zinc/86/36/93/1103863693.db2.gz XDDTUCRBENGYPE-UHFFFAOYSA-N 2 1 317.820 3.210 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001328266278 1103892748 /nfs/dbraw/zinc/89/27/48/1103892748.db2.gz HZWJDPSNVIZYQF-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@H]2CCOC2)C3)cc1 ZINC001202529764 1103923252 /nfs/dbraw/zinc/92/32/52/1103923252.db2.gz LKBIIJCFCPATQF-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1 ZINC001202529764 1103923259 /nfs/dbraw/zinc/92/32/59/1103923259.db2.gz LKBIIJCFCPATQF-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1 ZINC001202529764 1103923267 /nfs/dbraw/zinc/92/32/67/1103923267.db2.gz LKBIIJCFCPATQF-WOJBJXKFSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@H]2CCOC2)C3)cc1 ZINC001202529757 1103923297 /nfs/dbraw/zinc/92/32/97/1103923297.db2.gz LKBIIJCFCPATQF-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1 ZINC001202529757 1103923305 /nfs/dbraw/zinc/92/33/05/1103923305.db2.gz LKBIIJCFCPATQF-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1 ZINC001202529757 1103923318 /nfs/dbraw/zinc/92/33/18/1103923318.db2.gz LKBIIJCFCPATQF-UXHICEINSA-N 2 1 314.473 3.011 20 0 DGADMP Cn1c[nH+]c2cccc(Nc3cccc(OCC[NH+](C)C)c3)c21 ZINC001212808886 1104174319 /nfs/dbraw/zinc/17/43/19/1104174319.db2.gz LRNHGMQFIYFNGS-UHFFFAOYSA-N 2 1 310.401 3.257 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001329491044 1104284013 /nfs/dbraw/zinc/28/40/13/1104284013.db2.gz RGSQRVRSSYUSRB-UHFFFAOYSA-N 2 1 316.489 3.101 20 0 DGADMP CCCCC[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001245998116 1104348443 /nfs/dbraw/zinc/34/84/43/1104348443.db2.gz LHDVELIVOLFFFY-KRWDZBQOSA-N 2 1 324.896 3.450 20 0 DGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246041130 1104356410 /nfs/dbraw/zinc/35/64/10/1104356410.db2.gz XPGWVJVYBOVPBU-PWRODBHTSA-N 2 1 324.468 3.063 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+](C[C@@H](O)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246055234 1104359082 /nfs/dbraw/zinc/35/90/82/1104359082.db2.gz MGYKLQWTAXGEPT-GOSISDBHSA-N 2 1 322.468 3.095 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@]1(O)CCC[NH2+]C1 ZINC001246069446 1104364695 /nfs/dbraw/zinc/36/46/95/1104364695.db2.gz XVTMZNSEBRTVSF-UXHICEINSA-N 2 1 318.505 3.224 20 0 DGADMP CCCC[C@@H](O)C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246070745 1104365719 /nfs/dbraw/zinc/36/57/19/1104365719.db2.gz UYMRGEJSOOVXEL-LJQANCHMSA-N 2 1 322.468 3.239 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC001329732105 1104373223 /nfs/dbraw/zinc/37/32/23/1104373223.db2.gz SKAJOIJSIQLSNX-OKZBNKHCSA-N 2 1 304.478 3.207 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246080908 1104373322 /nfs/dbraw/zinc/37/33/22/1104373322.db2.gz PUPDRICQPPWVAD-OALUTQOASA-N 3 1 303.494 3.369 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246080844 1104373371 /nfs/dbraw/zinc/37/33/71/1104373371.db2.gz PEYMJVPHPUFHPY-UXHICEINSA-N 2 1 317.521 3.239 20 0 DGADMP CC1(C)C[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246101250 1104386900 /nfs/dbraw/zinc/38/69/00/1104386900.db2.gz IQMOPEBOPWXNIW-CEXWTWQISA-N 2 1 315.505 3.289 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001246105441 1104387688 /nfs/dbraw/zinc/38/76/88/1104387688.db2.gz BMEZKQJXUOAZGM-CRAIPNDOSA-N 2 1 308.441 3.088 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113839 1104391825 /nfs/dbraw/zinc/39/18/25/1104391825.db2.gz OBHDYDDIVNNERR-BLLLJJGKSA-N 2 1 316.823 3.482 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246131415 1104399206 /nfs/dbraw/zinc/39/92/06/1104399206.db2.gz JVBMCUWEFUUMSA-SWLSCSKDSA-N 2 1 323.278 3.112 20 0 DGADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246149977 1104407255 /nfs/dbraw/zinc/40/72/55/1104407255.db2.gz DJLJMYBCOLKVEA-CVEARBPZSA-N 2 1 310.482 3.140 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162433 1104412187 /nfs/dbraw/zinc/41/21/87/1104412187.db2.gz YAOQQLXZWFXHBL-ZTFGCOKTSA-N 2 1 322.880 3.162 20 0 DGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC001246162636 1104412331 /nfs/dbraw/zinc/41/23/31/1104412331.db2.gz GVFOCJPOXCOMMK-STQMWFEESA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H](C)[NH2+]1 ZINC001246160462 1104412428 /nfs/dbraw/zinc/41/24/28/1104412428.db2.gz UIWXMGITJRQIHS-NXEZZACHSA-N 2 1 304.331 3.463 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163286 1104413154 /nfs/dbraw/zinc/41/31/54/1104413154.db2.gz HRQBXSDQTKTDHD-WMZOPIPTSA-N 3 1 307.457 3.036 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246166338 1104415422 /nfs/dbraw/zinc/41/54/22/1104415422.db2.gz PRUBVBVRSGPBNB-VQIMIIECSA-N 2 1 313.420 3.299 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246167702 1104415473 /nfs/dbraw/zinc/41/54/73/1104415473.db2.gz DUAPOPJUBJCJGK-GUDVDZBRSA-N 3 1 321.553 3.399 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246169966 1104417271 /nfs/dbraw/zinc/41/72/71/1104417271.db2.gz KFYZBXDLMLUPSE-FKSLSLAPSA-N 3 1 309.542 3.253 20 0 DGADMP c1ccc(COC2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246170789 1104417335 /nfs/dbraw/zinc/41/73/35/1104417335.db2.gz UCOTUPSYQXMNMF-JLAWEPINSA-N 2 1 302.462 3.246 20 0 DGADMP Brc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC001246171014 1104417751 /nfs/dbraw/zinc/41/77/51/1104417751.db2.gz VNDRBZANJGDRAO-JKSUJKDBSA-N 2 1 323.278 3.038 20 0 DGADMP F[C@]1(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CCC[NH2+]C1 ZINC001246172580 1104418784 /nfs/dbraw/zinc/41/87/84/1104418784.db2.gz IJRFVUMFWBNGKL-LYBXBRPPSA-N 2 1 316.464 3.495 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246171906 1104419451 /nfs/dbraw/zinc/41/94/51/1104419451.db2.gz UHUDDQRFOZNTHH-VCWRXUFXSA-N 3 1 321.553 3.256 20 0 DGADMP C[C@@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246172921 1104421379 /nfs/dbraw/zinc/42/13/79/1104421379.db2.gz YEOYQZIBVSTNOL-WIYYLYMNSA-N 2 1 323.484 3.029 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H](C)[NH2+]1 ZINC001246176575 1104422232 /nfs/dbraw/zinc/42/22/32/1104422232.db2.gz GLBKPIINPFJANT-ZIAGYGMSSA-N 2 1 318.461 3.261 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246188558 1104430251 /nfs/dbraw/zinc/43/02/51/1104430251.db2.gz IOYRXFFFLGDOLU-HNJRGHQBSA-N 2 1 315.505 3.160 20 0 DGADMP C[N@@H+](CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1)Cc1ccccc1 ZINC001246194930 1104432040 /nfs/dbraw/zinc/43/20/40/1104432040.db2.gz JYUKXXDMQSEKOC-LJQANCHMSA-N 2 1 315.505 3.163 20 0 DGADMP CC[C@@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246194210 1104432767 /nfs/dbraw/zinc/43/27/67/1104432767.db2.gz GNFLBFWTEMLPSN-REPLKXPHSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001246203774 1104435529 /nfs/dbraw/zinc/43/55/29/1104435529.db2.gz UNURZBGZJGIVTM-JJXSEGSLSA-N 2 1 312.498 3.240 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246203292 1104435706 /nfs/dbraw/zinc/43/57/06/1104435706.db2.gz RVXPTNZUFMVRNN-GJZGRUSLSA-N 2 1 300.487 3.240 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246202224 1104435958 /nfs/dbraw/zinc/43/59/58/1104435958.db2.gz SKQIIUCBTNFATG-ZACQAIPSSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246204107 1104437664 /nfs/dbraw/zinc/43/76/64/1104437664.db2.gz XYGLHGICVPIMMO-BEFAXECRSA-N 2 1 310.441 3.060 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC001246213413 1104438780 /nfs/dbraw/zinc/43/87/80/1104438780.db2.gz UWPSTFLERJCGAK-NWDGAFQWSA-N 2 1 315.230 3.208 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC001246209088 1104438744 /nfs/dbraw/zinc/43/87/44/1104438744.db2.gz DHDAFTGYMQBJGN-NSHDSACASA-N 2 1 315.230 3.208 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(Br)c(F)c2)C[C@@H](C)[NH2+]1 ZINC001246211076 1104439201 /nfs/dbraw/zinc/43/92/01/1104439201.db2.gz LJDKDDXOXWVIDB-NXEZZACHSA-N 2 1 315.230 3.207 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH2+][C@H]1CCC2(C[NH2+]C2)C1)C1CCCCC1 ZINC001246234033 1104450907 /nfs/dbraw/zinc/45/09/07/1104450907.db2.gz XBFFOROQTISLHB-HOTGVXAUSA-N 2 1 322.493 3.009 20 0 DGADMP COC(=O)[C@H](CC1CCCCC1)[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246238683 1104452095 /nfs/dbraw/zinc/45/20/95/1104452095.db2.gz GCHUGGXLCHUTBC-AOIWGVFYSA-N 2 1 322.493 3.010 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccccc2Br)C[NH2+]1 ZINC001246255117 1104460772 /nfs/dbraw/zinc/46/07/72/1104460772.db2.gz KBVCRAUIHANVRB-JSGCOSHPSA-N 2 1 311.267 3.112 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246260966 1104463932 /nfs/dbraw/zinc/46/39/32/1104463932.db2.gz UUUHXLMIBGWMQN-BRWVUGGUSA-N 2 1 310.869 3.274 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246267283 1104465848 /nfs/dbraw/zinc/46/58/48/1104465848.db2.gz MKGPXFQTOIMHSR-WMLDXEAASA-N 2 1 302.849 3.431 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+]C1(C[NH3+])CCCC1 ZINC001246280804 1104472556 /nfs/dbraw/zinc/47/25/56/1104472556.db2.gz XIGKAJPOINLOEC-GFCCVEGCSA-N 2 1 311.267 3.241 20 0 DGADMP CC1(C)C[C@@H](NC2(C[NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001246288604 1104475917 /nfs/dbraw/zinc/47/59/17/1104475917.db2.gz QQQXBTRDCGKRBH-SFHVURJKSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246300298 1104478390 /nfs/dbraw/zinc/47/83/90/1104478390.db2.gz PXLKHSPDWZUAES-KDOFPFPSSA-N 2 1 302.849 3.431 20 0 DGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)Cc1ccccc1 ZINC001246299614 1104478811 /nfs/dbraw/zinc/47/88/11/1104478811.db2.gz LQFKJFYNNYYVOB-DLBZAZTESA-N 2 1 314.860 3.357 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)CC[NH2+]1 ZINC001246316020 1104485520 /nfs/dbraw/zinc/48/55/20/1104485520.db2.gz OCDRHUYZHZEWMS-RKVPGOIHSA-N 2 1 318.461 3.419 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001246330887 1104494144 /nfs/dbraw/zinc/49/41/44/1104494144.db2.gz ZOVSMKGGLFQZSC-HFBAOOFYSA-N 2 1 323.278 3.037 20 0 DGADMP CC(C)[C@@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246333976 1104496532 /nfs/dbraw/zinc/49/65/32/1104496532.db2.gz SYZOAZRERYPYLA-MSOLQXFVSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246336266 1104497728 /nfs/dbraw/zinc/49/77/28/1104497728.db2.gz NZLBJFGHOZOPGF-HOJAQTOUSA-N 3 1 315.505 3.006 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246346479 1104500230 /nfs/dbraw/zinc/50/02/30/1104500230.db2.gz MDHLJUFDGPRFCJ-DZGCQCFKSA-N 2 1 324.490 3.181 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)cc1 ZINC001246364699 1104510257 /nfs/dbraw/zinc/51/02/57/1104510257.db2.gz TUEAQMFRNITNKZ-BCDXTJNWSA-N 2 1 318.461 3.262 20 0 DGADMP CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246385008 1104518301 /nfs/dbraw/zinc/51/83/01/1104518301.db2.gz AOPSJPUXACKANP-CQSZACIVSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C[NH2+]1 ZINC001246383358 1104519017 /nfs/dbraw/zinc/51/90/17/1104519017.db2.gz IKRYBXNLCGULBH-SWLSCSKDSA-N 2 1 312.379 3.368 20 0 DGADMP CC1(C)CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246403724 1104529759 /nfs/dbraw/zinc/52/97/59/1104529759.db2.gz CZWPHAZWADSPKO-IRXDYDNUSA-N 2 1 318.461 3.006 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCC=CO1)Cc1ccccc12 ZINC001274893170 1104534591 /nfs/dbraw/zinc/53/45/91/1104534591.db2.gz NLOOSRVFHKGJBI-GOSISDBHSA-N 2 1 312.457 3.158 20 0 DGADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CC1(C)CCCCC1)CC2 ZINC001274905260 1104538214 /nfs/dbraw/zinc/53/82/14/1104538214.db2.gz BNMCDNSGGULOJG-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP C[NH+](C)CCN1CCC2(C1)CC[NH+](CC1(C)CCCCC1)CC2 ZINC001274905260 1104538219 /nfs/dbraw/zinc/53/82/19/1104538219.db2.gz BNMCDNSGGULOJG-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CC[C@@H]1CC([NH2+]C2(CC3CCC3)CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246446545 1104541359 /nfs/dbraw/zinc/54/13/59/1104541359.db2.gz LXWQCMSYVSTNKQ-IAGOWNOFSA-N 3 1 307.526 3.198 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246448178 1104543464 /nfs/dbraw/zinc/54/34/64/1104543464.db2.gz RRVSZZDSTRFJSP-VBSBHUPXSA-N 3 1 315.505 3.207 20 0 DGADMP COCCC[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001274936305 1104547792 /nfs/dbraw/zinc/54/77/92/1104547792.db2.gz FUXBMSFUWZROOG-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP COCCC[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001274936305 1104547796 /nfs/dbraw/zinc/54/77/96/1104547796.db2.gz FUXBMSFUWZROOG-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP COCCC[NH+]1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001274936305 1104547803 /nfs/dbraw/zinc/54/78/03/1104547803.db2.gz FUXBMSFUWZROOG-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP COCCC[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001274936305 1104547810 /nfs/dbraw/zinc/54/78/10/1104547810.db2.gz FUXBMSFUWZROOG-OAHLLOKOSA-N 2 1 322.415 3.153 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)CN1 ZINC001246470717 1104553898 /nfs/dbraw/zinc/55/38/98/1104553898.db2.gz OUKPOLBIMLNCAV-WBVHZDCISA-N 2 1 311.429 3.147 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C[NH2+]1 ZINC001246470717 1104553905 /nfs/dbraw/zinc/55/39/05/1104553905.db2.gz OUKPOLBIMLNCAV-WBVHZDCISA-N 2 1 311.429 3.147 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCc4ccccc4O3)CC[NH2+]2)cc1 ZINC001246469647 1104554211 /nfs/dbraw/zinc/55/42/11/1104554211.db2.gz FCRUCKDTYWXGKJ-ZCNNSNEGSA-N 2 1 322.452 3.463 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)NCC4)CC[NH2+]2)cc1 ZINC001246474449 1104556965 /nfs/dbraw/zinc/55/69/65/1104556965.db2.gz PIMKBMPFAGWFBZ-UYAOXDASSA-N 2 1 307.441 3.238 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)NCC4)CC[NH2+]2)cc1 ZINC001246474446 1104557935 /nfs/dbraw/zinc/55/79/35/1104557935.db2.gz PIMKBMPFAGWFBZ-AZUAARDMSA-N 2 1 307.441 3.238 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)C1 ZINC001246487984 1104562587 /nfs/dbraw/zinc/56/25/87/1104562587.db2.gz UTQBLJJTEAMWRZ-RYQLBKOJSA-N 2 1 318.461 3.006 20 0 DGADMP CCC[C@@H](C)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246488027 1104562605 /nfs/dbraw/zinc/56/26/05/1104562605.db2.gz VLGGMUYCGUOEMX-NVXWUHKLSA-N 2 1 306.450 3.006 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]CC1(F)F)CC2 ZINC001246493287 1104565001 /nfs/dbraw/zinc/56/50/01/1104565001.db2.gz YAHJWHXPLIRKOB-IRXDYDNUSA-N 2 1 308.416 3.077 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246499197 1104566148 /nfs/dbraw/zinc/56/61/48/1104566148.db2.gz SWQBAJGAANXTIE-HONMWMINSA-N 2 1 313.272 3.438 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246502594 1104567904 /nfs/dbraw/zinc/56/79/04/1104567904.db2.gz HMOGCCARJRDOBV-BFJAYTPKSA-N 2 1 308.491 3.268 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246502428 1104568853 /nfs/dbraw/zinc/56/88/53/1104568853.db2.gz FDZNRLWPXIVNMI-QRQLOZEOSA-N 2 1 303.494 3.003 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246508673 1104570451 /nfs/dbraw/zinc/57/04/51/1104570451.db2.gz WPNDUVVGSCMPMF-JRGCBEDISA-N 2 1 323.484 3.329 20 0 DGADMP c1ccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246517868 1104574085 /nfs/dbraw/zinc/57/40/85/1104574085.db2.gz CIIBRXFCOVNIOD-LJQANCHMSA-N 2 1 313.489 3.264 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2C(F)(F)F)C2CC2)CC[NH2+]1 ZINC001246519805 1104575607 /nfs/dbraw/zinc/57/56/07/1104575607.db2.gz ULSFOSJFDOVXQG-OSMZGAPFSA-N 2 1 313.367 3.282 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246524881 1104576971 /nfs/dbraw/zinc/57/69/71/1104576971.db2.gz UHJITIRWHKBXMA-INIZCTEOSA-N 2 1 320.427 3.288 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C)cc3)CC2)CC[NH2+]1 ZINC001246529926 1104579244 /nfs/dbraw/zinc/57/92/44/1104579244.db2.gz LIETWPURBIWTSJ-QUCCMNQESA-N 2 1 315.505 3.428 20 0 DGADMP CCC[N@H+](CCOC)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246530115 1104579624 /nfs/dbraw/zinc/57/96/24/1104579624.db2.gz OIKVJPUTPJEYRQ-SJLPKXTDSA-N 2 1 308.441 3.286 20 0 DGADMP CCC[N@@H+](CCOC)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246530115 1104579631 /nfs/dbraw/zinc/57/96/31/1104579631.db2.gz OIKVJPUTPJEYRQ-SJLPKXTDSA-N 2 1 308.441 3.286 20 0 DGADMP CC[C@@H]1CC(N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246527997 1104579680 /nfs/dbraw/zinc/57/96/80/1104579680.db2.gz NFOUYYJTGFGOJF-GGPKGHCWSA-N 2 1 315.505 3.284 20 0 DGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC([NH2+]C)CC1 ZINC001246533716 1104580488 /nfs/dbraw/zinc/58/04/88/1104580488.db2.gz GKWRYKVAPAYPHE-ZLPCBKJTSA-N 2 1 304.478 3.479 20 0 DGADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3cccc(C)c3)CC2)CC[NH2+]1 ZINC001246536164 1104580964 /nfs/dbraw/zinc/58/09/64/1104580964.db2.gz CIVIKQACYLNJIQ-AZUAARDMSA-N 2 1 315.505 3.428 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c1 ZINC001246536420 1104581464 /nfs/dbraw/zinc/58/14/64/1104581464.db2.gz FEEUUESKJWBLJG-RBUKOAKNSA-N 2 1 315.505 3.284 20 0 DGADMP Clc1ccc(C2=CC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246536126 1104581745 /nfs/dbraw/zinc/58/17/45/1104581745.db2.gz MTEYDJMXLGJJQJ-VQFNDLOPSA-N 2 1 302.849 3.427 20 0 DGADMP CC[C@@H]1C[C@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC001246535155 1104582035 /nfs/dbraw/zinc/58/20/35/1104582035.db2.gz WJYHNPKCZISXTQ-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP CC1(C)C[C@@H](N2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246537832 1104584272 /nfs/dbraw/zinc/58/42/72/1104584272.db2.gz DFTFCONIYRCYEC-RBUKOAKNSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246543600 1104585540 /nfs/dbraw/zinc/58/55/40/1104585540.db2.gz UVPJYKPKACDOFE-TZMCWYRMSA-N 2 1 316.367 3.329 20 0 DGADMP C[C@H]1CC([NH+]2CCC(C[NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246541026 1104586013 /nfs/dbraw/zinc/58/60/13/1104586013.db2.gz XXWWZNVQEUTYKD-IRXDYDNUSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246546653 1104587396 /nfs/dbraw/zinc/58/73/96/1104587396.db2.gz NCKWPCRCMPECAL-HNJRGHQBSA-N 2 1 315.505 3.241 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001246546461 1104588902 /nfs/dbraw/zinc/58/89/02/1104588902.db2.gz MXYIOCQEAHZJSJ-CQSZACIVSA-N 2 1 307.869 3.122 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001246556274 1104593446 /nfs/dbraw/zinc/59/34/46/1104593446.db2.gz YVVYDINCAMZBIM-PXAZEXFGSA-N 2 1 312.379 3.165 20 0 DGADMP Cc1cc(CN2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)n(C)n1 ZINC001275050346 1104594658 /nfs/dbraw/zinc/59/46/58/1104594658.db2.gz CUCZBCAUCNAVAW-IBGZPJMESA-N 2 1 318.509 3.063 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246559879 1104594679 /nfs/dbraw/zinc/59/46/79/1104594679.db2.gz FOPRFPSZGKVFCR-LALPHHSUSA-N 2 1 300.368 3.306 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246559879 1104594689 /nfs/dbraw/zinc/59/46/89/1104594689.db2.gz FOPRFPSZGKVFCR-LALPHHSUSA-N 2 1 300.368 3.306 20 0 DGADMP CC1(C)C[C@@H](N2CCCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246558660 1104595219 /nfs/dbraw/zinc/59/52/19/1104595219.db2.gz LHHFOAKUOLCCHQ-MOPGFXCFSA-N 2 1 315.505 3.243 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246559937 1104595962 /nfs/dbraw/zinc/59/59/62/1104595962.db2.gz FWYKMNZQRXMFCW-LALPHHSUSA-N 2 1 311.267 3.049 20 0 DGADMP C[C@H]1CC[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CC[C@@H]1C[NH3+] ZINC001246558151 1104596371 /nfs/dbraw/zinc/59/63/71/1104596371.db2.gz MFXNCVXNGJXUOZ-JKSUJKDBSA-N 2 1 324.509 3.005 20 0 DGADMP C[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1[NH3+] ZINC001246563830 1104597815 /nfs/dbraw/zinc/59/78/15/1104597815.db2.gz VAGRFRNVBVHLAT-BHIYHBOVSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)CCC[C@@H]1C[NH3+] ZINC001246569711 1104599419 /nfs/dbraw/zinc/59/94/19/1104599419.db2.gz SCLCPTZSMSYMIQ-HZPDHXFCSA-N 2 1 324.509 3.005 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246570296 1104599457 /nfs/dbraw/zinc/59/94/57/1104599457.db2.gz OZMBXOWZKJQBKD-VCTAVGKDSA-N 2 1 302.796 3.171 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246570296 1104599465 /nfs/dbraw/zinc/59/94/65/1104599465.db2.gz OZMBXOWZKJQBKD-VCTAVGKDSA-N 2 1 302.796 3.171 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246567739 1104599660 /nfs/dbraw/zinc/59/96/60/1104599660.db2.gz XQLXFIUVSXOPQL-XUJVJEKNSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246567739 1104599672 /nfs/dbraw/zinc/59/96/72/1104599672.db2.gz XQLXFIUVSXOPQL-XUJVJEKNSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CCC[C@H]1C[NH3+] ZINC001246567489 1104600157 /nfs/dbraw/zinc/60/01/57/1104600157.db2.gz LAZXHZCPGIOVNR-DVOMOZLQSA-N 2 1 308.416 3.129 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246569088 1104600221 /nfs/dbraw/zinc/60/02/21/1104600221.db2.gz PUSUAQFLXAWQIE-HYVNUMGLSA-N 2 1 318.461 3.043 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CCN(c2ccccc2Cl)CC1 ZINC001246567745 1104600360 /nfs/dbraw/zinc/60/03/60/1104600360.db2.gz XQPYFTPTFWRDHQ-HUUCEWRRSA-N 2 1 321.896 3.368 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246575707 1104601908 /nfs/dbraw/zinc/60/19/08/1104601908.db2.gz LADLQZLBXYQJGU-MAUKXSAKSA-N 2 1 308.416 3.273 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246581317 1104604292 /nfs/dbraw/zinc/60/42/92/1104604292.db2.gz YVUXDFWWGLKEBF-MAUKXSAKSA-N 2 1 308.416 3.273 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCCC[C@@H](C[NH3+])C1)CC2 ZINC001246582068 1104604529 /nfs/dbraw/zinc/60/45/29/1104604529.db2.gz MITWPBHCYBCRDA-KBPBESRZSA-N 2 1 322.880 3.267 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC001246586723 1104606404 /nfs/dbraw/zinc/60/64/04/1104606404.db2.gz NSHDQPRXRXQUTM-JJLQDPRZSA-N 2 1 311.267 3.410 20 0 DGADMP CCC(CC)C[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275071515 1104607057 /nfs/dbraw/zinc/60/70/57/1104607057.db2.gz HOWRXUXXORSXAU-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP CCC(CC)C[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275071515 1104607060 /nfs/dbraw/zinc/60/70/60/1104607060.db2.gz HOWRXUXXORSXAU-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP CCC(CC)C[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275071515 1104607065 /nfs/dbraw/zinc/60/70/65/1104607065.db2.gz HOWRXUXXORSXAU-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001246587504 1104607991 /nfs/dbraw/zinc/60/79/91/1104607991.db2.gz GWNHTBHCMGAAIO-GOSISDBHSA-N 2 1 317.521 3.099 20 0 DGADMP CC(C)[N@@H+]([C@@H]1CCN[C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589888 1104608444 /nfs/dbraw/zinc/60/84/44/1104608444.db2.gz GDVKZOLBTXMJQV-AQNXPRMDSA-N 2 1 315.505 3.332 20 0 DGADMP CC(C)N([C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589888 1104608450 /nfs/dbraw/zinc/60/84/50/1104608450.db2.gz GDVKZOLBTXMJQV-AQNXPRMDSA-N 2 1 315.505 3.332 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H](C[NH3+])CC[C@H]1C)CC2 ZINC001246589847 1104608692 /nfs/dbraw/zinc/60/86/92/1104608692.db2.gz GZHQWHFCYYERGR-HZSPNIEDSA-N 2 1 322.880 3.265 20 0 DGADMP C1CN2CCC1C[C@H]([NH+]1CCCC3(CCCC[NH2+]C3)CCC1)C2 ZINC001246593068 1104609738 /nfs/dbraw/zinc/60/97/38/1104609738.db2.gz FTRNKOPDWLTYGR-IBGZPJMESA-N 2 1 319.537 3.107 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246593362 1104610285 /nfs/dbraw/zinc/61/02/85/1104610285.db2.gz MLKLIGISIHPUBM-APWZRJJASA-N 2 1 318.461 3.187 20 0 DGADMP CC(C)[N@@H+]([C@@H]1COc2ccc(Cl)cc2C1)[C@@H]1CCC[NH2+]CC1 ZINC001246591843 1104610751 /nfs/dbraw/zinc/61/07/51/1104610751.db2.gz JNDYLHBWMUTLEJ-SJORKVTESA-N 2 1 322.880 3.496 20 0 DGADMP C[C@@H]1C[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC001246598089 1104614101 /nfs/dbraw/zinc/61/41/01/1104614101.db2.gz ZPYUCPZXRAOIJW-RLLQIKCJSA-N 2 1 315.505 3.100 20 0 DGADMP C[N@H+]1CCC[C@H](N2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598002 1104614983 /nfs/dbraw/zinc/61/49/83/1104614983.db2.gz YNQVPHVVCTYZAW-SFHVURJKSA-N 2 1 307.526 3.107 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598002 1104614988 /nfs/dbraw/zinc/61/49/88/1104614988.db2.gz YNQVPHVVCTYZAW-SFHVURJKSA-N 3 1 307.526 3.107 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598002 1104614992 /nfs/dbraw/zinc/61/49/92/1104614992.db2.gz YNQVPHVVCTYZAW-SFHVURJKSA-N 3 1 307.526 3.107 20 0 DGADMP CCCCCC[C@H](C)[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246598719 1104616383 /nfs/dbraw/zinc/61/63/83/1104616383.db2.gz BALCROWBBKUYRN-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@]34CCC[NH2+]CC4)CCN2)cc1 ZINC001246602828 1104619704 /nfs/dbraw/zinc/61/97/04/1104619704.db2.gz CSRPFTWZGYYCGH-UFYCRDLUSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602828 1104619708 /nfs/dbraw/zinc/61/97/08/1104619708.db2.gz CSRPFTWZGYYCGH-UFYCRDLUSA-N 3 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602828 1104619711 /nfs/dbraw/zinc/61/97/11/1104619711.db2.gz CSRPFTWZGYYCGH-UFYCRDLUSA-N 3 1 313.489 3.088 20 0 DGADMP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246604192 1104620981 /nfs/dbraw/zinc/62/09/81/1104620981.db2.gz GZTGUZYZVDFNKF-VQIMIIECSA-N 2 1 320.427 3.430 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246605330 1104622733 /nfs/dbraw/zinc/62/27/33/1104622733.db2.gz BFFKUOJNELECOR-PXNSSMCTSA-N 2 1 314.473 3.018 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246607841 1104623714 /nfs/dbraw/zinc/62/37/14/1104623714.db2.gz FYCQYMRLBBEVGT-RTBURBONSA-N 2 1 302.437 3.149 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246607828 1104624113 /nfs/dbraw/zinc/62/41/13/1104624113.db2.gz FXLMVCSJUHJJDR-LPHOPBHVSA-N 2 1 302.437 3.149 20 0 DGADMP CSCCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275110045 1104630544 /nfs/dbraw/zinc/63/05/44/1104630544.db2.gz WICKLXISFUGTDO-UHFFFAOYSA-N 2 1 321.534 3.446 20 0 DGADMP CSCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109443 1104631124 /nfs/dbraw/zinc/63/11/24/1104631124.db2.gz FKGHJMGSZNHAQC-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP CSCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109443 1104631126 /nfs/dbraw/zinc/63/11/26/1104631126.db2.gz FKGHJMGSZNHAQC-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP CSCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109443 1104631132 /nfs/dbraw/zinc/63/11/32/1104631132.db2.gz FKGHJMGSZNHAQC-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP CSCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109443 1104631134 /nfs/dbraw/zinc/63/11/34/1104631134.db2.gz FKGHJMGSZNHAQC-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP CC[C@@H]1CC([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246621029 1104631177 /nfs/dbraw/zinc/63/11/77/1104631177.db2.gz CLWLPGRHHMGJFO-MKSNKDDYSA-N 2 1 313.489 3.437 20 0 DGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246625774 1104632513 /nfs/dbraw/zinc/63/25/13/1104632513.db2.gz SXYNRMBSPZLWGH-OXJNMPFZSA-N 2 1 324.443 3.446 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246623678 1104633395 /nfs/dbraw/zinc/63/33/95/1104633395.db2.gz BTWZISNPPAFAFY-MELADBBJSA-N 2 1 310.844 3.342 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC001246628134 1104634346 /nfs/dbraw/zinc/63/43/46/1104634346.db2.gz XPQYFMFCFMVOAV-RYGJVYDSSA-N 2 1 324.468 3.321 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246627445 1104635007 /nfs/dbraw/zinc/63/50/07/1104635007.db2.gz JSHXLJCRYHKWLN-LPHOPBHVSA-N 2 1 302.462 3.092 20 0 DGADMP CCCCC[NH+]1CCC2(CC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001275120050 1104635141 /nfs/dbraw/zinc/63/51/41/1104635141.db2.gz BVCKXNSDUFZKNT-UHFFFAOYSA-N 2 1 318.509 3.381 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246628761 1104635985 /nfs/dbraw/zinc/63/59/85/1104635985.db2.gz DKTHTXHCLQOMGZ-CQSZACIVSA-N 2 1 308.491 3.365 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CS2 ZINC001246629772 1104636020 /nfs/dbraw/zinc/63/60/20/1104636020.db2.gz GLLNIVLPBGADJE-FUHWJXTLSA-N 2 1 302.487 3.312 20 0 DGADMP CCCCCC[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275125809 1104636692 /nfs/dbraw/zinc/63/66/92/1104636692.db2.gz BAGJVOMPZHPFFT-IBGZPJMESA-N 2 1 309.542 3.306 20 0 DGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@]3(C1)C[NH2+]CCC3(F)F)C2 ZINC001246635550 1104638198 /nfs/dbraw/zinc/63/81/98/1104638198.db2.gz CLATXUSTWAOAHX-AEFFLSMTSA-N 2 1 320.427 3.173 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246636728 1104640703 /nfs/dbraw/zinc/64/07/03/1104640703.db2.gz WRSKFKGSVFFBAR-APWZRJJASA-N 2 1 302.437 3.291 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246641769 1104642288 /nfs/dbraw/zinc/64/22/88/1104642288.db2.gz FNUYYYPTLXYZDZ-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246641769 1104642291 /nfs/dbraw/zinc/64/22/91/1104642291.db2.gz FNUYYYPTLXYZDZ-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC001275137029 1104645229 /nfs/dbraw/zinc/64/52/29/1104645229.db2.gz KIIHYIXXSQUOFZ-IYBDPMFKSA-N 2 1 305.491 3.005 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC001275137029 1104645234 /nfs/dbraw/zinc/64/52/34/1104645234.db2.gz KIIHYIXXSQUOFZ-IYBDPMFKSA-N 2 1 305.491 3.005 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC001275137029 1104645240 /nfs/dbraw/zinc/64/52/40/1104645240.db2.gz KIIHYIXXSQUOFZ-IYBDPMFKSA-N 2 1 305.491 3.005 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275145068 1104647059 /nfs/dbraw/zinc/64/70/59/1104647059.db2.gz HKQMNPCWFHYEIE-SLFFLAALSA-N 2 1 321.553 3.469 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC001246661458 1104653258 /nfs/dbraw/zinc/65/32/58/1104653258.db2.gz XQTCYQVBWNAVPJ-YFMMTPMMSA-N 2 1 310.441 3.058 20 0 DGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001246666973 1104654808 /nfs/dbraw/zinc/65/48/08/1104654808.db2.gz SYNFRJULEOBGLS-RDTXWAMCSA-N 2 1 319.880 3.122 20 0 DGADMP CSCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246672131 1104655685 /nfs/dbraw/zinc/65/56/85/1104655685.db2.gz JYDQXXMSIXQYNH-UHOSZYNNSA-N 2 1 318.530 3.381 20 0 DGADMP CCSC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246672694 1104657228 /nfs/dbraw/zinc/65/72/28/1104657228.db2.gz KOJVFVBDUVNVRR-CGTJXYLNSA-N 2 1 304.503 3.350 20 0 DGADMP CCSC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246672694 1104657231 /nfs/dbraw/zinc/65/72/31/1104657231.db2.gz KOJVFVBDUVNVRR-CGTJXYLNSA-N 2 1 304.503 3.350 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246677106 1104658359 /nfs/dbraw/zinc/65/83/59/1104658359.db2.gz GQFLONRQVRUBEF-YPMHNXCESA-N 2 1 313.272 3.466 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246680966 1104659854 /nfs/dbraw/zinc/65/98/54/1104659854.db2.gz YHOZDCMOQCMUCD-QWHCGFSZSA-N 2 1 310.894 3.362 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679830 1104660292 /nfs/dbraw/zinc/66/02/92/1104660292.db2.gz ZDKUAZPBSLBEMI-NJAFHUGGSA-N 2 1 304.453 3.468 20 0 DGADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC001246682441 1104660684 /nfs/dbraw/zinc/66/06/84/1104660684.db2.gz NERDCFUXMFCUBX-MOPGFXCFSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246841153 1104701157 /nfs/dbraw/zinc/70/11/57/1104701157.db2.gz UDLGDVUZXVKPQN-IUODEOHRSA-N 2 1 311.267 3.412 20 0 DGADMP CSCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246685028 1104662289 /nfs/dbraw/zinc/66/22/89/1104662289.db2.gz ZUWVKBLVXUMEPQ-KBAYOESNSA-N 2 1 304.503 3.207 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692833 1104663709 /nfs/dbraw/zinc/66/37/09/1104663709.db2.gz PAUMFCIQRDFPLL-KBRIMQKVSA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692833 1104663704 /nfs/dbraw/zinc/66/37/04/1104663704.db2.gz PAUMFCIQRDFPLL-KBRIMQKVSA-N 2 1 310.844 3.295 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1C[C@@H](CC)[NH2+][C@H](CC)C1)C2 ZINC001246707055 1104665608 /nfs/dbraw/zinc/66/56/08/1104665608.db2.gz YRRHILPDZYHBGD-MTNOOBJLSA-N 2 1 308.510 3.434 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)C2 ZINC001246707054 1104665868 /nfs/dbraw/zinc/66/58/68/1104665868.db2.gz YRRHILPDZYHBGD-GFEQUFNTSA-N 2 1 308.510 3.434 20 0 DGADMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246770993 1104666845 /nfs/dbraw/zinc/66/68/45/1104666845.db2.gz URDYOHGXNILVJF-WOJBJXKFSA-N 2 1 324.468 3.490 20 0 DGADMP C[NH2+]CC[C@H](C)N1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001246765387 1104667475 /nfs/dbraw/zinc/66/74/75/1104667475.db2.gz JNAGLELXNMHBRP-KNTRFNDTSA-N 2 1 315.505 3.095 20 0 DGADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246777306 1104669378 /nfs/dbraw/zinc/66/93/78/1104669378.db2.gz FEPKTQKZJHJOTG-MAUKXSAKSA-N 2 1 318.461 3.069 20 0 DGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780623 1104670201 /nfs/dbraw/zinc/67/02/01/1104670201.db2.gz SZANBVWJFBGOQK-QAPCUYQASA-N 2 1 320.477 3.302 20 0 DGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc(OC)c1 ZINC001246780623 1104670207 /nfs/dbraw/zinc/67/02/07/1104670207.db2.gz SZANBVWJFBGOQK-QAPCUYQASA-N 2 1 320.477 3.302 20 0 DGADMP c1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)CCO2 ZINC001246780235 1104670623 /nfs/dbraw/zinc/67/06/23/1104670623.db2.gz BQKDHDIOIXUHTB-UHFFFAOYSA-N 2 1 300.446 3.193 20 0 DGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1OC ZINC001246783643 1104671621 /nfs/dbraw/zinc/67/16/21/1104671621.db2.gz CMPAHDRBDVAJPF-YJBOKZPZSA-N 2 1 320.477 3.302 20 0 DGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1OC ZINC001246783643 1104671625 /nfs/dbraw/zinc/67/16/25/1104671625.db2.gz CMPAHDRBDVAJPF-YJBOKZPZSA-N 2 1 320.477 3.302 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246784910 1104673520 /nfs/dbraw/zinc/67/35/20/1104673520.db2.gz HMYDRHMJMUMBRN-NJAFHUGGSA-N 2 1 306.425 3.055 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246786987 1104674692 /nfs/dbraw/zinc/67/46/92/1104674692.db2.gz OQXAXKJSXJZHOZ-SKINQDTJSA-N 2 1 314.473 3.452 20 0 DGADMP Cc1ccc2n[nH]c(C[NH+]3CCC4(CCC[N@H+](C)C4)CC3)c2c1 ZINC001275205149 1104676765 /nfs/dbraw/zinc/67/67/65/1104676765.db2.gz MLXBZOQSEMFTIS-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(CCC[N@@H+](C)C4)CC3)c2c1 ZINC001275205149 1104676775 /nfs/dbraw/zinc/67/67/75/1104676775.db2.gz MLXBZOQSEMFTIS-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(CCC[N@H+](C)C4)CC3)c2c1 ZINC001275205149 1104676778 /nfs/dbraw/zinc/67/67/78/1104676778.db2.gz MLXBZOQSEMFTIS-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246790885 1104678082 /nfs/dbraw/zinc/67/80/82/1104678082.db2.gz IEKKXLPBAYIFEZ-SJORKVTESA-N 2 1 324.509 3.351 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246804085 1104682670 /nfs/dbraw/zinc/68/26/70/1104682670.db2.gz LAXMNSSRDREION-LBTNJELSSA-N 2 1 320.502 3.314 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246804085 1104682674 /nfs/dbraw/zinc/68/26/74/1104682674.db2.gz LAXMNSSRDREION-LBTNJELSSA-N 2 1 320.502 3.314 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@@H+]2C2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246804082 1104682704 /nfs/dbraw/zinc/68/27/04/1104682704.db2.gz LAXMNSSRDREION-DEYYWGMASA-N 2 1 320.502 3.314 20 0 DGADMP COc1ccc([C@@H]2CSCC[N@H+]2C2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246804082 1104682709 /nfs/dbraw/zinc/68/27/09/1104682709.db2.gz LAXMNSSRDREION-DEYYWGMASA-N 2 1 320.502 3.314 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246800423 1104682742 /nfs/dbraw/zinc/68/27/42/1104682742.db2.gz XDPUSGDKVKPBLJ-KOHRHEQBSA-N 2 1 322.493 3.105 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246815073 1104688532 /nfs/dbraw/zinc/68/85/32/1104688532.db2.gz VKCPKMKNBDGVHF-BCDXTJNWSA-N 2 1 304.478 3.479 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246814685 1104688699 /nfs/dbraw/zinc/68/86/99/1104688699.db2.gz RFCJUTDBZRQLGX-WMZOPIPTSA-N 2 1 304.478 3.336 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246838531 1104699875 /nfs/dbraw/zinc/69/98/75/1104699875.db2.gz CRCRYFZRRHFHRF-FOLVSLTJSA-N 2 1 323.278 3.269 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246842341 1104701045 /nfs/dbraw/zinc/70/10/45/1104701045.db2.gz PIJLEYOQCOJJOK-MOPGFXCFSA-N 2 1 314.473 3.342 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246841155 1104701697 /nfs/dbraw/zinc/70/16/97/1104701697.db2.gz UDLGDVUZXVKPQN-SWLSCSKDSA-N 2 1 311.267 3.412 20 0 DGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246840434 1104702266 /nfs/dbraw/zinc/70/22/66/1104702266.db2.gz OLYIZHRYEHISFS-BZUAXINKSA-N 2 1 320.477 3.061 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC001246842720 1104703440 /nfs/dbraw/zinc/70/34/40/1104703440.db2.gz UXHMPKRTKAUQSW-CTWPCTMYSA-N 2 1 302.462 3.073 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246842002 1104704027 /nfs/dbraw/zinc/70/40/27/1104704027.db2.gz SMBFWZAWYKNYMV-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246842002 1104704032 /nfs/dbraw/zinc/70/40/32/1104704032.db2.gz SMBFWZAWYKNYMV-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848679 1104707532 /nfs/dbraw/zinc/70/75/32/1104707532.db2.gz ZPVHNKGLSSXXBL-JKSUJKDBSA-N 2 1 304.434 3.158 20 0 DGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848679 1104707540 /nfs/dbraw/zinc/70/75/40/1104707540.db2.gz ZPVHNKGLSSXXBL-JKSUJKDBSA-N 2 1 304.434 3.158 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857040 1104710016 /nfs/dbraw/zinc/71/00/16/1104710016.db2.gz ZHVCRYCZGBYGAN-IOASZLSFSA-N 2 1 311.256 3.274 20 0 DGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246857040 1104710020 /nfs/dbraw/zinc/71/00/20/1104710020.db2.gz ZHVCRYCZGBYGAN-IOASZLSFSA-N 2 1 311.256 3.274 20 0 DGADMP CC[C@H]1C[C@H](N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246861105 1104711494 /nfs/dbraw/zinc/71/14/94/1104711494.db2.gz SDAHFTVONNKOAL-ZCNNSNEGSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866022 1104712230 /nfs/dbraw/zinc/71/22/30/1104712230.db2.gz XXRNBQLCVNJROR-VXGBXAGGSA-N 2 1 301.261 3.466 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866022 1104712238 /nfs/dbraw/zinc/71/22/38/1104712238.db2.gz XXRNBQLCVNJROR-VXGBXAGGSA-N 2 1 301.261 3.466 20 0 DGADMP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246867727 1104715101 /nfs/dbraw/zinc/71/51/01/1104715101.db2.gz KGNOXEKLHXSSFJ-SJORKVTESA-N 2 1 322.493 3.092 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@H+](C3C[C@H](C)[NH2+][C@@H](C)C3)C2)cc1 ZINC001246878687 1104717933 /nfs/dbraw/zinc/71/79/33/1104717933.db2.gz AFMPEQQTTFDRDH-BQFCYCMXSA-N 2 1 316.489 3.479 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246879609 1104718187 /nfs/dbraw/zinc/71/81/87/1104718187.db2.gz XDBMHXHVTCAAMC-WSTZPKSXSA-N 2 1 314.473 3.407 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)C2)cc1 ZINC001246878688 1104718436 /nfs/dbraw/zinc/71/84/36/1104718436.db2.gz AFMPEQQTTFDRDH-JFIYKMOQSA-N 2 1 316.489 3.479 20 0 DGADMP CC(C)[C@H]1C[C@H]([N@@H+](Cc2ccccc2)CC(C)(C)O)CC[NH2+]1 ZINC001246888046 1104724072 /nfs/dbraw/zinc/72/40/72/1104724072.db2.gz MTPAUGFVKBTZJD-QZTJIDSGSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)CC(C)(C)O)CC[NH2+]1 ZINC001246888050 1104724747 /nfs/dbraw/zinc/72/47/47/1104724747.db2.gz MTPAUGFVKBTZJD-ROUUACIJSA-N 2 1 304.478 3.036 20 0 DGADMP CC1(C)C[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001246892937 1104725451 /nfs/dbraw/zinc/72/54/51/1104725451.db2.gz KJRYLGILDLLNSU-ZWKOTPCHSA-N 2 1 316.489 3.239 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890815 1104725884 /nfs/dbraw/zinc/72/58/84/1104725884.db2.gz VEXPHCBJBGZXBD-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246899667 1104726739 /nfs/dbraw/zinc/72/67/39/1104726739.db2.gz FQEYPCMUMKGGGL-CXAGYDPISA-N 2 1 313.470 3.152 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001246899184 1104727075 /nfs/dbraw/zinc/72/70/75/1104727075.db2.gz XCJGOTBTQCYYEX-MBOZVWFJSA-N 2 1 315.505 3.142 20 0 DGADMP C[NH2+]CC[C@@H](C)[N@@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001246899184 1104727079 /nfs/dbraw/zinc/72/70/79/1104727079.db2.gz XCJGOTBTQCYYEX-MBOZVWFJSA-N 2 1 315.505 3.142 20 0 DGADMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001246901133 1104728804 /nfs/dbraw/zinc/72/88/04/1104728804.db2.gz YVOWNCNCDULRKG-SFHVURJKSA-N 2 1 323.484 3.474 20 0 DGADMP CCC[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC001246903733 1104730149 /nfs/dbraw/zinc/73/01/49/1104730149.db2.gz QEHSYOZNKRCJPK-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904263 1104730481 /nfs/dbraw/zinc/73/04/81/1104730481.db2.gz VHYPRGQNNBDQIK-BBWFWOEESA-N 2 1 324.509 3.351 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246905675 1104730632 /nfs/dbraw/zinc/73/06/32/1104730632.db2.gz FDJDWGLUSKVIMW-LSTDLKDCSA-N 2 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905675 1104730641 /nfs/dbraw/zinc/73/06/41/1104730641.db2.gz FDJDWGLUSKVIMW-LSTDLKDCSA-N 3 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905675 1104730648 /nfs/dbraw/zinc/73/06/48/1104730648.db2.gz FDJDWGLUSKVIMW-LSTDLKDCSA-N 3 1 319.468 3.129 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246906691 1104731727 /nfs/dbraw/zinc/73/17/27/1104731727.db2.gz RZKFIEFRZDHTJU-SOUVJXGZSA-N 2 1 306.475 3.002 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909831 1104732124 /nfs/dbraw/zinc/73/21/24/1104732124.db2.gz QPNRUSZLJZZHMT-BXUZGUMPSA-N 2 1 314.351 3.084 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC[NH2+]1 ZINC001246909831 1104732129 /nfs/dbraw/zinc/73/21/29/1104732129.db2.gz QPNRUSZLJZZHMT-BXUZGUMPSA-N 2 1 314.351 3.084 20 0 DGADMP C[NH2+]CC[C@H](C)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001246908149 1104732715 /nfs/dbraw/zinc/73/27/15/1104732715.db2.gz GBUYXKDPUJWBKV-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H]1CC(N(C)CC[N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246919156 1104737633 /nfs/dbraw/zinc/73/76/33/1104737633.db2.gz JELYYVQFLGQNSC-OALUTQOASA-N 2 1 317.521 3.359 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246920773 1104738662 /nfs/dbraw/zinc/73/86/62/1104738662.db2.gz JSYMEEABYXFNBB-CEXWTWQISA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246920773 1104738671 /nfs/dbraw/zinc/73/86/71/1104738671.db2.gz JSYMEEABYXFNBB-CEXWTWQISA-N 2 1 302.462 3.198 20 0 DGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC001246932743 1104741026 /nfs/dbraw/zinc/74/10/26/1104741026.db2.gz HGUCCFMZEJGYBO-RCBQFDQVSA-N 2 1 314.395 3.392 20 0 DGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC001246932743 1104741029 /nfs/dbraw/zinc/74/10/29/1104741029.db2.gz HGUCCFMZEJGYBO-RCBQFDQVSA-N 2 1 314.395 3.392 20 0 DGADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246935048 1104742573 /nfs/dbraw/zinc/74/25/73/1104742573.db2.gz PZRPKUXDRFVKDJ-QZTJIDSGSA-N 2 1 320.452 3.337 20 0 DGADMP COc1cccc([C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246940143 1104745659 /nfs/dbraw/zinc/74/56/59/1104745659.db2.gz DFFRKPVWEKZVPR-ROUUACIJSA-N 2 1 314.473 3.407 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CCC2 ZINC001246944632 1104746605 /nfs/dbraw/zinc/74/66/05/1104746605.db2.gz IOIYZYJBXCZYHM-SFHVURJKSA-N 2 1 314.473 3.366 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC001246943410 1104746919 /nfs/dbraw/zinc/74/69/19/1104746919.db2.gz BTIPUADXMVFPRH-AZUAARDMSA-N 2 1 314.473 3.366 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945404 1104747307 /nfs/dbraw/zinc/74/73/07/1104747307.db2.gz LPUFNOFZXLFMFR-SQNIBIBYSA-N 2 1 308.510 3.434 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CC(C)(C)C)C1CC[NH2+]CC1)C2 ZINC001246947675 1104748854 /nfs/dbraw/zinc/74/88/54/1104748854.db2.gz WQHOWHQKJSXCQH-SFHVURJKSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)c1 ZINC001246949614 1104749900 /nfs/dbraw/zinc/74/99/00/1104749900.db2.gz USAWEUJLZBHCCW-PGYGNJIDSA-N 2 1 314.473 3.407 20 0 DGADMP Cn1c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415051 1104752129 /nfs/dbraw/zinc/75/21/29/1104752129.db2.gz WBHATEAPPXLOAA-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415051 1104752133 /nfs/dbraw/zinc/75/21/33/1104752133.db2.gz WBHATEAPPXLOAA-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc2ccccc21 ZINC001275415051 1104752140 /nfs/dbraw/zinc/75/21/40/1104752140.db2.gz WBHATEAPPXLOAA-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP Cn1c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc2ccccc21 ZINC001275415051 1104752146 /nfs/dbraw/zinc/75/21/46/1104752146.db2.gz WBHATEAPPXLOAA-FQEVSTJZSA-N 2 1 311.473 3.486 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)C[C@H](CC)[NH2+]1 ZINC001246967225 1104755088 /nfs/dbraw/zinc/75/50/88/1104755088.db2.gz MMKFQAPAOKZXGV-VUHPKUFZSA-N 2 1 317.477 3.234 20 0 DGADMP COc1cccc([C@H]2CSCC[N@@H+]2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970415 1104755396 /nfs/dbraw/zinc/75/53/96/1104755396.db2.gz ZBJKTQOOWMYVDS-DOTOQJQBSA-N 2 1 320.502 3.316 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246970415 1104755399 /nfs/dbraw/zinc/75/53/99/1104755399.db2.gz ZBJKTQOOWMYVDS-DOTOQJQBSA-N 2 1 320.502 3.316 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970681 1104755454 /nfs/dbraw/zinc/75/54/54/1104755454.db2.gz BIISBNDYMCSLES-SUMWQHHRSA-N 2 1 320.427 3.286 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973599 1104756344 /nfs/dbraw/zinc/75/63/44/1104756344.db2.gz OOPUAJSIMWGBKZ-LIRRHRJNSA-N 2 1 302.437 3.147 20 0 DGADMP CC[C@H]([NH3+])CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246972750 1104757116 /nfs/dbraw/zinc/75/71/16/1104757116.db2.gz GLBPSHCGUGQTFB-ROUUACIJSA-N 2 1 303.494 3.099 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974977 1104757529 /nfs/dbraw/zinc/75/75/29/1104757529.db2.gz LMEWEFDGNGALRP-UXHICEINSA-N 2 1 313.489 3.086 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CCN2)cc1 ZINC001246974977 1104757534 /nfs/dbraw/zinc/75/75/34/1104757534.db2.gz LMEWEFDGNGALRP-UXHICEINSA-N 2 1 313.489 3.086 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246976458 1104757631 /nfs/dbraw/zinc/75/76/31/1104757631.db2.gz QKEOWRWKDSKOHV-BBRMVZONSA-N 2 1 308.416 3.144 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246975939 1104759037 /nfs/dbraw/zinc/75/90/37/1104759037.db2.gz DMQVAYZXLBBBDH-INIZCTEOSA-N 2 1 316.445 3.160 20 0 DGADMP COc1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1F ZINC001275439060 1104759319 /nfs/dbraw/zinc/75/93/19/1104759319.db2.gz JPLCSTCSYUQECW-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@H]12 ZINC001246978166 1104759714 /nfs/dbraw/zinc/75/97/14/1104759714.db2.gz UPNALAJCCVHIDV-YCEXYHJXSA-N 2 1 310.485 3.482 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]12 ZINC001246978161 1104759927 /nfs/dbraw/zinc/75/99/27/1104759927.db2.gz UPNALAJCCVHIDV-LRFQYKANSA-N 2 1 310.485 3.482 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246977021 1104759938 /nfs/dbraw/zinc/75/99/38/1104759938.db2.gz RHUCNNSTQAJECW-SHPPOPEUSA-N 2 1 323.278 3.049 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001275443227 1104760176 /nfs/dbraw/zinc/76/01/76/1104760176.db2.gz CRYUKPOOPGJRMC-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001275443227 1104760180 /nfs/dbraw/zinc/76/01/80/1104760180.db2.gz CRYUKPOOPGJRMC-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001275443227 1104760188 /nfs/dbraw/zinc/76/01/88/1104760188.db2.gz CRYUKPOOPGJRMC-HXUWFJFHSA-N 2 1 324.472 3.180 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246977019 1104760266 /nfs/dbraw/zinc/76/02/66/1104760266.db2.gz RGWCCUDZJXVOOT-XJKSGUPXSA-N 2 1 308.416 3.144 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976845 1104760289 /nfs/dbraw/zinc/76/02/89/1104760289.db2.gz YIIUFGJLORBSKG-KZNAEPCWSA-N 2 1 317.477 3.154 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ncccc3C)C2)CC[NH2+]1 ZINC001246976845 1104760295 /nfs/dbraw/zinc/76/02/95/1104760295.db2.gz YIIUFGJLORBSKG-KZNAEPCWSA-N 2 1 317.477 3.154 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246981380 1104760751 /nfs/dbraw/zinc/76/07/51/1104760751.db2.gz VLTBSMGPBHYCKZ-JQHSSLGASA-N 2 1 320.452 3.446 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246979687 1104760769 /nfs/dbraw/zinc/76/07/69/1104760769.db2.gz ZMGQBCNOCAHVFK-KRWDZBQOSA-N 2 1 320.427 3.429 20 0 DGADMP CN(C)CC[N@H+](C1CC[NH2+]CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246984528 1104762915 /nfs/dbraw/zinc/76/29/15/1104762915.db2.gz IUMWFLGVSIDQMB-IBGZPJMESA-N 2 1 321.553 3.495 20 0 DGADMP CN(C)CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246984528 1104762918 /nfs/dbraw/zinc/76/29/18/1104762918.db2.gz IUMWFLGVSIDQMB-IBGZPJMESA-N 2 1 321.553 3.495 20 0 DGADMP COc1cc(Cl)ncc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275450364 1104763330 /nfs/dbraw/zinc/76/33/30/1104763330.db2.gz VGNLLSGWYPGXBZ-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP COc1cc(Cl)ncc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275450364 1104763335 /nfs/dbraw/zinc/76/33/35/1104763335.db2.gz VGNLLSGWYPGXBZ-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP FC1(F)C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@@H]1Cc1ccccc1 ZINC001246987872 1104764100 /nfs/dbraw/zinc/76/41/00/1104764100.db2.gz NZVIKCUCKMAIGO-XMTFNYHQSA-N 2 1 320.427 3.184 20 0 DGADMP FC1(F)C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[C@@H]1Cc1ccccc1 ZINC001246987872 1104764104 /nfs/dbraw/zinc/76/41/04/1104764104.db2.gz NZVIKCUCKMAIGO-XMTFNYHQSA-N 2 1 320.427 3.184 20 0 DGADMP CCCCOC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246994758 1104767249 /nfs/dbraw/zinc/76/72/49/1104767249.db2.gz RPGYLMNUFCAJPH-DLBZAZTESA-N 2 1 322.493 3.107 20 0 DGADMP CCCCOC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246994769 1104767410 /nfs/dbraw/zinc/76/74/10/1104767410.db2.gz RPGYLMNUFCAJPH-SJORKVTESA-N 2 1 322.493 3.107 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996972 1104768987 /nfs/dbraw/zinc/76/89/87/1104768987.db2.gz JEOBCQGQFWBFGQ-SPYBWZPUSA-N 2 1 302.437 3.246 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996456 1104769297 /nfs/dbraw/zinc/76/92/97/1104769297.db2.gz XVSKVTXNIMDOQI-YPMHNXCESA-N 2 1 302.340 3.158 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH2+]1 ZINC001246996456 1104769300 /nfs/dbraw/zinc/76/93/00/1104769300.db2.gz XVSKVTXNIMDOQI-YPMHNXCESA-N 2 1 302.340 3.158 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246999052 1104770557 /nfs/dbraw/zinc/77/05/57/1104770557.db2.gz BUIJDNKUFBYEHX-YPAMNDHTSA-N 2 1 304.865 3.399 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001247001000 1104771287 /nfs/dbraw/zinc/77/12/87/1104771287.db2.gz YQZKJIGCRGVGNK-VTFKFGBRSA-N 2 1 314.448 3.389 20 0 DGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+]([C@H]2CCCSC2)CC1 ZINC001247000088 1104771877 /nfs/dbraw/zinc/77/18/77/1104771877.db2.gz DWUGBHDVPSDUHZ-INIZCTEOSA-N 2 1 302.487 3.019 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003042 1104772895 /nfs/dbraw/zinc/77/28/95/1104772895.db2.gz MPZGTTMAQKYXLW-JSHWQEIDSA-N 2 1 305.853 3.064 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]1 ZINC001247003042 1104772900 /nfs/dbraw/zinc/77/29/00/1104772900.db2.gz MPZGTTMAQKYXLW-JSHWQEIDSA-N 2 1 305.853 3.064 20 0 DGADMP CSCC[C@@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006121 1104773861 /nfs/dbraw/zinc/77/38/61/1104773861.db2.gz STAFQYTYRGLYRG-OAHLLOKOSA-N 2 1 304.503 3.265 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3coc4ccc(F)cc34)C[C@H]2CC1 ZINC001275484829 1104774840 /nfs/dbraw/zinc/77/48/40/1104774840.db2.gz HMRHKHQOFKEGAP-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3coc4ccc(F)cc34)C[C@H]2CC1 ZINC001275484829 1104774842 /nfs/dbraw/zinc/77/48/42/1104774842.db2.gz HMRHKHQOFKEGAP-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[C@@H]1CC([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C[C@@H](C)O1 ZINC001247007538 1104774745 /nfs/dbraw/zinc/77/47/45/1104774745.db2.gz XOEBQGJJQOLTRH-HZPDHXFCSA-N 2 1 314.473 3.079 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3coc4ccc(F)cc34)C[C@H]2CC1 ZINC001275484829 1104774847 /nfs/dbraw/zinc/77/48/47/1104774847.db2.gz HMRHKHQOFKEGAP-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1coc3ccc(F)cc13)CC2 ZINC001275484786 1104775039 /nfs/dbraw/zinc/77/50/39/1104775039.db2.gz FUMHHOJZIJOZJM-UHFFFAOYSA-N 2 1 302.393 3.490 20 0 DGADMP CCCCCC[C@H](CC)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247010891 1104775148 /nfs/dbraw/zinc/77/51/48/1104775148.db2.gz WLMYMFLWWDGGEJ-DLBZAZTESA-N 2 1 324.509 3.210 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cc(OC)c(C)c1C ZINC001275633948 1104841900 /nfs/dbraw/zinc/84/19/00/1104841900.db2.gz FNAHJZJWWGLGKC-ALOPSCKCSA-N 2 1 302.462 3.335 20 0 DGADMP Fc1ncccc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275650757 1104847667 /nfs/dbraw/zinc/84/76/67/1104847667.db2.gz WEMUDNJOKSUEHR-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001275694307 1104868475 /nfs/dbraw/zinc/86/84/75/1104868475.db2.gz PVZSBMIOVKTKCH-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001275694307 1104868481 /nfs/dbraw/zinc/86/84/81/1104868481.db2.gz PVZSBMIOVKTKCH-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001275694307 1104868488 /nfs/dbraw/zinc/86/84/88/1104868488.db2.gz PVZSBMIOVKTKCH-HDICACEKSA-N 2 1 302.462 3.247 20 0 DGADMP Cc1ccc(-c2ccccc2-c2noc([C@@H]([NH3+])CCC[NH3+])n2)cc1 ZINC001247506350 1104915070 /nfs/dbraw/zinc/91/50/70/1104915070.db2.gz BQUHCYYQXJLVNU-KRWDZBQOSA-N 2 1 322.412 3.451 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc2ccccc21 ZINC001275848603 1104931376 /nfs/dbraw/zinc/93/13/76/1104931376.db2.gz RJLCWZDLIYLRKH-SFTDATJTSA-N 2 1 323.484 3.050 20 0 DGADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ccccc21 ZINC001275848861 1104931387 /nfs/dbraw/zinc/93/13/87/1104931387.db2.gz YUCTXZDBMRTINO-BGYRXZFFSA-N 2 1 323.484 3.050 20 0 DGADMP Cc1ccc(-c2noc([C@H]([NH3+])CCCC[NH3+])n2)c2ccccc12 ZINC001247699644 1104959119 /nfs/dbraw/zinc/95/91/19/1104959119.db2.gz UZMICHJOWXDNFL-MRXNPFEDSA-N 2 1 310.401 3.327 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275959687 1104968289 /nfs/dbraw/zinc/96/82/89/1104968289.db2.gz HLHPINMKPLFIIH-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276010440 1104987769 /nfs/dbraw/zinc/98/77/69/1104987769.db2.gz DHSRLOKCIHYIMI-IBGZPJMESA-N 2 1 324.509 3.308 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276010440 1104987775 /nfs/dbraw/zinc/98/77/75/1104987775.db2.gz DHSRLOKCIHYIMI-IBGZPJMESA-N 2 1 324.509 3.308 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276010440 1104987783 /nfs/dbraw/zinc/98/77/83/1104987783.db2.gz DHSRLOKCIHYIMI-IBGZPJMESA-N 2 1 324.509 3.308 20 0 DGADMP C(C[NH+]1CCCCC1)C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276048853 1105005493 /nfs/dbraw/zinc/00/54/93/1105005493.db2.gz KTVSFIYNUDFPSK-UHFFFAOYSA-N 3 1 319.537 3.203 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)[nH]1 ZINC001276074577 1105009853 /nfs/dbraw/zinc/00/98/53/1105009853.db2.gz XSQOGKHDVBGGAR-CALCHBBNSA-N 2 1 301.478 3.410 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)[nH]1 ZINC001276074577 1105009859 /nfs/dbraw/zinc/00/98/59/1105009859.db2.gz XSQOGKHDVBGGAR-CALCHBBNSA-N 2 1 301.478 3.410 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)[nH]1 ZINC001276074577 1105009865 /nfs/dbraw/zinc/00/98/65/1105009865.db2.gz XSQOGKHDVBGGAR-CALCHBBNSA-N 2 1 301.478 3.410 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c[nH]c4cc(F)ccc34)C[C@H]2CC1 ZINC001276093197 1105016098 /nfs/dbraw/zinc/01/60/98/1105016098.db2.gz VFDADWBSKYODGS-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c[nH]c4cc(F)ccc34)C[C@H]2CC1 ZINC001276093197 1105016104 /nfs/dbraw/zinc/01/61/04/1105016104.db2.gz VFDADWBSKYODGS-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c[nH]c4cc(F)ccc34)C[C@H]2CC1 ZINC001276093197 1105016111 /nfs/dbraw/zinc/01/61/11/1105016111.db2.gz VFDADWBSKYODGS-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP OCc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)o1 ZINC001276096966 1105016525 /nfs/dbraw/zinc/01/65/25/1105016525.db2.gz HIXFJOJNAXJZTC-RBUKOAKNSA-N 2 1 318.461 3.239 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(N3CCCC3)c1)C2 ZINC001276157335 1105033291 /nfs/dbraw/zinc/03/32/91/1105033291.db2.gz HXAZXNZLMZQKMJ-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(N3CCCC3)c1)C2 ZINC001276157335 1105033296 /nfs/dbraw/zinc/03/32/96/1105033296.db2.gz HXAZXNZLMZQKMJ-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(N3CCCC3)c1)C2 ZINC001276157335 1105033299 /nfs/dbraw/zinc/03/32/99/1105033299.db2.gz HXAZXNZLMZQKMJ-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)nc1)CC2 ZINC001276236011 1105056648 /nfs/dbraw/zinc/05/66/48/1105056648.db2.gz VFDJXUHNZHGIFL-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP Cc1cc(Cl)cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1 ZINC001248195001 1105065682 /nfs/dbraw/zinc/06/56/82/1105065682.db2.gz QYQUJFLVLOGGNQ-AWEZNQCLSA-N 2 1 322.840 3.430 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccn(C)n2)cc1 ZINC001248767582 1105158551 /nfs/dbraw/zinc/15/85/51/1105158551.db2.gz NRPHHIAVRKSHBR-UHFFFAOYSA-N 2 1 314.477 3.251 20 0 DGADMP COc1nccc(Cl)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001248795927 1105162984 /nfs/dbraw/zinc/16/29/84/1105162984.db2.gz ZIKRWSDPCRQJMX-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CC[NH+]1CCC(N(C)Cc2cn(C)c3ccnc(Cl)c23)CC1 ZINC001248837888 1105175623 /nfs/dbraw/zinc/17/56/23/1105175623.db2.gz WMTSYHMYUXGHRD-UHFFFAOYSA-N 2 1 320.868 3.143 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cn(C)c3ccnc(Cl)c23)CC1 ZINC001248837888 1105175626 /nfs/dbraw/zinc/17/56/26/1105175626.db2.gz WMTSYHMYUXGHRD-UHFFFAOYSA-N 2 1 320.868 3.143 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)c3ccnc(Cl)c23)CC1 ZINC001248837888 1105175627 /nfs/dbraw/zinc/17/56/27/1105175627.db2.gz WMTSYHMYUXGHRD-UHFFFAOYSA-N 2 1 320.868 3.143 20 0 DGADMP CCOc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001250014512 1105427451 /nfs/dbraw/zinc/42/74/51/1105427451.db2.gz LGGIIYYPICJGJN-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001250014512 1105427455 /nfs/dbraw/zinc/42/74/55/1105427455.db2.gz LGGIIYYPICJGJN-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)ccn1 ZINC001250014512 1105427457 /nfs/dbraw/zinc/42/74/57/1105427457.db2.gz LGGIIYYPICJGJN-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)ccn1 ZINC001250014512 1105427460 /nfs/dbraw/zinc/42/74/60/1105427460.db2.gz LGGIIYYPICJGJN-ROUUACIJSA-N 2 1 317.477 3.319 20 0 DGADMP CCOc1cc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)ccn1 ZINC001250019280 1105428384 /nfs/dbraw/zinc/42/83/84/1105428384.db2.gz OEKKTCYRERNUIY-UHFFFAOYSA-N 2 1 317.477 3.319 20 0 DGADMP Cc1cccc2nc(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)cn21 ZINC001137299305 1105474392 /nfs/dbraw/zinc/47/43/92/1105474392.db2.gz IFTXNZVXWBJNTP-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137342498 1105491755 /nfs/dbraw/zinc/49/17/55/1105491755.db2.gz AKYIHTCFTIAWOE-UHFFFAOYSA-N 2 1 324.403 3.333 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1[nH]nc2ccccc21 ZINC001137350886 1105496205 /nfs/dbraw/zinc/49/62/05/1105496205.db2.gz JOFPFMJPJFZNDY-JKSUJKDBSA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1[nH]nc2ccccc21 ZINC001137350886 1105496208 /nfs/dbraw/zinc/49/62/08/1105496208.db2.gz JOFPFMJPJFZNDY-JKSUJKDBSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1[nH]nc2ccccc21 ZINC001137350886 1105496210 /nfs/dbraw/zinc/49/62/10/1105496210.db2.gz JOFPFMJPJFZNDY-JKSUJKDBSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC001137350886 1105496213 /nfs/dbraw/zinc/49/62/13/1105496213.db2.gz JOFPFMJPJFZNDY-JKSUJKDBSA-N 2 1 312.461 3.402 20 0 DGADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)cn1 ZINC001250319258 1105497302 /nfs/dbraw/zinc/49/73/02/1105497302.db2.gz QZPLSDHIAWZBQG-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP Cc1ccc(Br)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001137382243 1105510103 /nfs/dbraw/zinc/51/01/03/1105510103.db2.gz OHVRAILWOMVPJM-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(Br)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001137382243 1105510109 /nfs/dbraw/zinc/51/01/09/1105510109.db2.gz OHVRAILWOMVPJM-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001137382243 1105510114 /nfs/dbraw/zinc/51/01/14/1105510114.db2.gz OHVRAILWOMVPJM-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001137382243 1105510119 /nfs/dbraw/zinc/51/01/19/1105510119.db2.gz OHVRAILWOMVPJM-HIFRSBDPSA-N 2 1 323.278 3.141 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@@H]2C1 ZINC001137390538 1105512312 /nfs/dbraw/zinc/51/23/12/1105512312.db2.gz QHPKFCZTVGHVQM-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]2C1 ZINC001137390538 1105512316 /nfs/dbraw/zinc/51/23/16/1105512316.db2.gz QHPKFCZTVGHVQM-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]2C1 ZINC001137390538 1105512320 /nfs/dbraw/zinc/51/23/20/1105512320.db2.gz QHPKFCZTVGHVQM-UXHICEINSA-N 2 1 307.441 3.132 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)nc2F)CC1 ZINC001137474469 1105528251 /nfs/dbraw/zinc/52/82/51/1105528251.db2.gz VJPKXVFWZFBDGZ-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)nc2F)CC1 ZINC001137474469 1105528259 /nfs/dbraw/zinc/52/82/59/1105528259.db2.gz VJPKXVFWZFBDGZ-UHFFFAOYSA-N 2 1 313.848 3.426 20 0 DGADMP CC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001251769472 1105693853 /nfs/dbraw/zinc/69/38/53/1105693853.db2.gz TVTNHUYOCVFXCS-IDCNUPLLSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001251769472 1105693856 /nfs/dbraw/zinc/69/38/56/1105693856.db2.gz TVTNHUYOCVFXCS-IDCNUPLLSA-N 2 1 322.518 3.051 20 0 DGADMP CC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001251769472 1105693857 /nfs/dbraw/zinc/69/38/57/1105693857.db2.gz TVTNHUYOCVFXCS-IDCNUPLLSA-N 2 1 322.518 3.051 20 0 DGADMP CCCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252088359 1105736009 /nfs/dbraw/zinc/73/60/09/1105736009.db2.gz LCMMNRGJOPLHAO-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252088359 1105736013 /nfs/dbraw/zinc/73/60/13/1105736013.db2.gz LCMMNRGJOPLHAO-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252088359 1105736023 /nfs/dbraw/zinc/73/60/23/1105736023.db2.gz LCMMNRGJOPLHAO-WOJBJXKFSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252108937 1105740642 /nfs/dbraw/zinc/74/06/42/1105740642.db2.gz TWRSBCHOYUXXAI-RTBURBONSA-N 2 1 304.478 3.039 20 0 DGADMP CCC[C@H](O)CN1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001252786815 1105830689 /nfs/dbraw/zinc/83/06/89/1105830689.db2.gz RBPDKWRZVSXHFB-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001252786815 1105830693 /nfs/dbraw/zinc/83/06/93/1105830693.db2.gz RBPDKWRZVSXHFB-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCC[C@H](O)C[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001252786815 1105830700 /nfs/dbraw/zinc/83/07/00/1105830700.db2.gz RBPDKWRZVSXHFB-IBGZPJMESA-N 2 1 304.478 3.134 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001252848800 1105841847 /nfs/dbraw/zinc/84/18/47/1105841847.db2.gz SORZYSSDSDZSHF-GOSISDBHSA-N 2 1 308.441 3.055 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001252848800 1105841851 /nfs/dbraw/zinc/84/18/51/1105841851.db2.gz SORZYSSDSDZSHF-GOSISDBHSA-N 2 1 308.441 3.055 20 0 DGADMP CCC(CC)[N@@H+](CC)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252931770 1105856377 /nfs/dbraw/zinc/85/63/77/1105856377.db2.gz NFNONNDESUZYPD-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[N@H+](CC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252931770 1105856383 /nfs/dbraw/zinc/85/63/83/1105856383.db2.gz NFNONNDESUZYPD-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[N@@H+](CC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252931770 1105856389 /nfs/dbraw/zinc/85/63/89/1105856389.db2.gz NFNONNDESUZYPD-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[NH+](CC)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252931770 1105856397 /nfs/dbraw/zinc/85/63/97/1105856397.db2.gz NFNONNDESUZYPD-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CCC(CC)[NH+](CC)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931770 1105856403 /nfs/dbraw/zinc/85/64/03/1105856403.db2.gz NFNONNDESUZYPD-LJQANCHMSA-N 2 1 304.478 3.134 20 0 DGADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945389 1105858035 /nfs/dbraw/zinc/85/80/35/1105858035.db2.gz CINFDPHHBQGPSG-LNLFQRSKSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945389 1105858043 /nfs/dbraw/zinc/85/80/43/1105858043.db2.gz CINFDPHHBQGPSG-LNLFQRSKSA-N 2 1 304.478 3.038 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccccc1 ZINC001253115155 1105893734 /nfs/dbraw/zinc/89/37/34/1105893734.db2.gz HXPSVACESDQKMZ-UXHICEINSA-N 2 1 312.457 3.177 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001253204070 1105902481 /nfs/dbraw/zinc/90/24/81/1105902481.db2.gz PKZRDUDQOBABJD-KXBFYZLASA-N 2 1 300.446 3.193 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC1CCC1)c1cccc(F)c1 ZINC001253211346 1105903372 /nfs/dbraw/zinc/90/33/72/1105903372.db2.gz FFKLTZLMLSWCCO-RTBURBONSA-N 2 1 322.468 3.349 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccc(F)cc1 ZINC001253211101 1105903483 /nfs/dbraw/zinc/90/34/83/1105903483.db2.gz ATZTYULRKFFKAD-MOPGFXCFSA-N 2 1 322.468 3.349 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1cccc(F)c1 ZINC001253210472 1105903754 /nfs/dbraw/zinc/90/37/54/1105903754.db2.gz NQJZJBAJOLEFGN-ROUUACIJSA-N 2 1 310.457 3.205 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001253393966 1105933326 /nfs/dbraw/zinc/93/33/26/1105933326.db2.gz AIKAMDWSUVUBKB-QZTJIDSGSA-N 2 1 304.478 3.005 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001253390280 1105933910 /nfs/dbraw/zinc/93/39/10/1105933910.db2.gz OSEHHXPUEXIZCJ-QGZVFWFLSA-N 2 1 324.896 3.268 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccc(F)cc1 ZINC001253410839 1105937439 /nfs/dbraw/zinc/93/74/39/1105937439.db2.gz SZZYIHKKPYTTGY-ZWKOTPCHSA-N 2 1 322.468 3.396 20 0 DGADMP CCCCC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001253534789 1105951891 /nfs/dbraw/zinc/95/18/91/1105951891.db2.gz DPNSXUQXUHRYCH-VQTJNVASSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253534789 1105951894 /nfs/dbraw/zinc/95/18/94/1105951894.db2.gz DPNSXUQXUHRYCH-VQTJNVASSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253534789 1105951899 /nfs/dbraw/zinc/95/18/99/1105951899.db2.gz DPNSXUQXUHRYCH-VQTJNVASSA-N 2 1 318.505 3.382 20 0 DGADMP CCCCC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253549052 1105956959 /nfs/dbraw/zinc/95/69/59/1105956959.db2.gz LJSMNTTUJWIECR-RTBURBONSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC001254039084 1106012343 /nfs/dbraw/zinc/01/23/43/1106012343.db2.gz YUYWYEMQYCZWDJ-QZTJIDSGSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1CC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001254039016 1106012519 /nfs/dbraw/zinc/01/25/19/1106012519.db2.gz WFINWUWBDAYPOA-MSOLQXFVSA-N 2 1 316.489 3.134 20 0 DGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254223633 1106039809 /nfs/dbraw/zinc/03/98/09/1106039809.db2.gz MSWBZNBFWDIAJT-INIZCTEOSA-N 2 1 316.436 3.140 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254223633 1106039816 /nfs/dbraw/zinc/03/98/16/1106039816.db2.gz MSWBZNBFWDIAJT-INIZCTEOSA-N 2 1 316.436 3.140 20 0 DGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254446828 1106072544 /nfs/dbraw/zinc/07/25/44/1106072544.db2.gz FOUOOSPHDYANMM-UHFFFAOYSA-N 2 1 306.494 3.284 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001254499753 1106083057 /nfs/dbraw/zinc/08/30/57/1106083057.db2.gz PJDRWZCFBKSBFI-CYBMUJFWSA-N 2 1 302.340 3.159 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506762 1106086032 /nfs/dbraw/zinc/08/60/32/1106086032.db2.gz ZEEXPUVGBOPETC-HUUCEWRRSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001254506762 1106086036 /nfs/dbraw/zinc/08/60/36/1106086036.db2.gz ZEEXPUVGBOPETC-HUUCEWRRSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001254509700 1106086620 /nfs/dbraw/zinc/08/66/20/1106086620.db2.gz IMGYDJVITDTGRB-QGZVFWFLSA-N 2 1 321.896 3.074 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001254509273 1106087060 /nfs/dbraw/zinc/08/70/60/1106087060.db2.gz XWBMKYBIOWDTMT-RBUKOAKNSA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001254515108 1106087992 /nfs/dbraw/zinc/08/79/92/1106087992.db2.gz SXPNUBZQOZAAKU-HRCADAONSA-N 2 1 323.278 3.379 20 0 DGADMP COc1ccccc1CC(C)(C)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254512852 1106088156 /nfs/dbraw/zinc/08/81/56/1106088156.db2.gz SLLQEKOFZCOXND-KRWDZBQOSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254512411 1106089199 /nfs/dbraw/zinc/08/91/99/1106089199.db2.gz NFHMMUGEROYCKK-GOSISDBHSA-N 2 1 316.489 3.482 20 0 DGADMP COC1(c2ccccc2)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254530393 1106094220 /nfs/dbraw/zinc/09/42/20/1106094220.db2.gz XGBIQMHWGHISHR-SFHVURJKSA-N 2 1 302.462 3.108 20 0 DGADMP COc1cccc([C@H]2CSCC[N@@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254529238 1106094290 /nfs/dbraw/zinc/09/42/90/1106094290.db2.gz FKIZJSVBJOZOIS-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254529238 1106094294 /nfs/dbraw/zinc/09/42/94/1106094294.db2.gz FKIZJSVBJOZOIS-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@H]2CSCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254529238 1106094297 /nfs/dbraw/zinc/09/42/97/1106094297.db2.gz FKIZJSVBJOZOIS-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP COc1cccc([C@H]2CSCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254529238 1106094301 /nfs/dbraw/zinc/09/43/01/1106094301.db2.gz FKIZJSVBJOZOIS-SJLPKXTDSA-N 2 1 320.502 3.269 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)cc1 ZINC001254530453 1106094476 /nfs/dbraw/zinc/09/44/76/1106094476.db2.gz YMICWRQXWZDCOP-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254530453 1106094481 /nfs/dbraw/zinc/09/44/81/1106094481.db2.gz YMICWRQXWZDCOP-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)cc1 ZINC001254530453 1106094488 /nfs/dbraw/zinc/09/44/88/1106094488.db2.gz YMICWRQXWZDCOP-RTBURBONSA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccc(C2=CC[N@H+]([C@@H]3CCC[NH+](C)CC3)CC2)cc1 ZINC001254531015 1106096713 /nfs/dbraw/zinc/09/67/13/1106096713.db2.gz IUBUJBDLDZSFBF-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254531015 1106096717 /nfs/dbraw/zinc/09/67/17/1106096717.db2.gz IUBUJBDLDZSFBF-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254531015 1106096721 /nfs/dbraw/zinc/09/67/21/1106096721.db2.gz IUBUJBDLDZSFBF-GOSISDBHSA-N 2 1 300.446 3.269 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001256569523 1106159280 /nfs/dbraw/zinc/15/92/80/1106159280.db2.gz IHZDTHASWISOON-CQSZACIVSA-N 2 1 310.379 3.473 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001256569523 1106159277 /nfs/dbraw/zinc/15/92/77/1106159277.db2.gz IHZDTHASWISOON-CQSZACIVSA-N 2 1 310.379 3.473 20 0 DGADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001255015855 1106165941 /nfs/dbraw/zinc/16/59/41/1106165941.db2.gz LLBXYXXTQASBGD-UHFFFAOYSA-N 2 1 310.416 3.243 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCOCC2)CC1 ZINC001255035011 1106171568 /nfs/dbraw/zinc/17/15/68/1106171568.db2.gz UHWTZPNFXQPIAP-QAQDUYKDSA-N 2 1 306.425 3.077 20 0 DGADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122359 1106184251 /nfs/dbraw/zinc/18/42/51/1106184251.db2.gz NZPVQOXCVPBQRS-JUSBFGHESA-N 2 1 314.473 3.197 20 0 DGADMP O=c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC001255125684 1106184909 /nfs/dbraw/zinc/18/49/09/1106184909.db2.gz DJQUVJHZDQDSEE-REPLKXPHSA-N 2 1 323.440 3.072 20 0 DGADMP CC(C)(O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128641 1106185420 /nfs/dbraw/zinc/18/54/20/1106185420.db2.gz FVHXIMWFKDYFOR-LDLYASANSA-N 2 1 316.489 3.323 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CSC2)C3)cc1 ZINC001255126091 1106185452 /nfs/dbraw/zinc/18/54/52/1106185452.db2.gz JEEGJKJUVWEBQF-NNZMDNLPSA-N 2 1 302.487 3.135 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255129712 1106186585 /nfs/dbraw/zinc/18/65/85/1106186585.db2.gz JLHPMQAVQUBJFA-CADBVGFASA-N 2 1 312.457 3.283 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255129712 1106186588 /nfs/dbraw/zinc/18/65/88/1106186588.db2.gz JLHPMQAVQUBJFA-CADBVGFASA-N 2 1 312.457 3.283 20 0 DGADMP COC[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137389 1106187726 /nfs/dbraw/zinc/18/77/26/1106187726.db2.gz QMTWXNIPGVAHKQ-VNTMZGSJSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137389 1106187730 /nfs/dbraw/zinc/18/77/30/1106187730.db2.gz QMTWXNIPGVAHKQ-VNTMZGSJSA-N 2 1 314.473 3.150 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137389 1106187734 /nfs/dbraw/zinc/18/77/34/1106187734.db2.gz QMTWXNIPGVAHKQ-VNTMZGSJSA-N 2 1 314.473 3.150 20 0 DGADMP O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255137696 1106188457 /nfs/dbraw/zinc/18/84/57/1106188457.db2.gz WBJMNIUXMBYQMX-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137696 1106188458 /nfs/dbraw/zinc/18/84/58/1106188458.db2.gz WBJMNIUXMBYQMX-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255137696 1106188459 /nfs/dbraw/zinc/18/84/59/1106188459.db2.gz WBJMNIUXMBYQMX-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141494 1106189323 /nfs/dbraw/zinc/18/93/23/1106189323.db2.gz MZLSWEWRKUVZOR-USYVTKNRSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141494 1106189325 /nfs/dbraw/zinc/18/93/25/1106189325.db2.gz MZLSWEWRKUVZOR-USYVTKNRSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141494 1106189329 /nfs/dbraw/zinc/18/93/29/1106189329.db2.gz MZLSWEWRKUVZOR-USYVTKNRSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001255141494 1106189331 /nfs/dbraw/zinc/18/93/31/1106189331.db2.gz MZLSWEWRKUVZOR-USYVTKNRSA-N 2 1 312.457 3.045 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001255148878 1106191113 /nfs/dbraw/zinc/19/11/13/1106191113.db2.gz CPUHVGJHBLMEEV-PIIMJCKOSA-N 2 1 314.498 3.231 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001255148878 1106191116 /nfs/dbraw/zinc/19/11/16/1106191116.db2.gz CPUHVGJHBLMEEV-PIIMJCKOSA-N 2 1 314.498 3.231 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@H]1CCSC1)CC2 ZINC001255285349 1106215787 /nfs/dbraw/zinc/21/57/87/1106215787.db2.gz NCAAUENALFJCMC-RDJZCZTQSA-N 2 1 320.502 3.462 20 0 DGADMP CCCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001255326066 1106222265 /nfs/dbraw/zinc/22/22/65/1106222265.db2.gz NCTXGLQDDAMUHQ-KRWDZBQOSA-N 2 1 318.509 3.429 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCc3ccccn3)CC2)cc1 ZINC001255375197 1106235233 /nfs/dbraw/zinc/23/52/33/1106235233.db2.gz DZAIANWVNMSLSW-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC001255383714 1106237800 /nfs/dbraw/zinc/23/78/00/1106237800.db2.gz MNAOBMMLEWYARC-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385445 1106237919 /nfs/dbraw/zinc/23/79/19/1106237919.db2.gz HQQJFCLUBXCMIB-LPHOPBHVSA-N 2 1 310.445 3.182 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385445 1106237922 /nfs/dbraw/zinc/23/79/22/1106237922.db2.gz HQQJFCLUBXCMIB-LPHOPBHVSA-N 2 1 310.445 3.182 20 0 DGADMP C[NH+](C)CCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383162 1106237974 /nfs/dbraw/zinc/23/79/74/1106237974.db2.gz FRRRRDSSMWIBAT-FQEVSTJZSA-N 3 1 317.521 3.363 20 0 DGADMP C[NH+](C)CCCCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383162 1106237975 /nfs/dbraw/zinc/23/79/75/1106237975.db2.gz FRRRRDSSMWIBAT-FQEVSTJZSA-N 2 1 317.521 3.363 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCc3cccnc3)CC2)cc1 ZINC001255383048 1106238084 /nfs/dbraw/zinc/23/80/84/1106238084.db2.gz ZHEJOERSSGRHEC-FQEVSTJZSA-N 2 1 309.457 3.268 20 0 DGADMP [NH3+]Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386979 1106238234 /nfs/dbraw/zinc/23/82/34/1106238234.db2.gz DLUZHOSBXAWCOQ-NRFANRHFSA-N 2 1 323.484 3.290 20 0 DGADMP [NH3+]Cc1ccccc1C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255386979 1106238238 /nfs/dbraw/zinc/23/82/38/1106238238.db2.gz DLUZHOSBXAWCOQ-NRFANRHFSA-N 2 1 323.484 3.290 20 0 DGADMP [NH3+]Cc1ccccc1CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255386979 1106238240 /nfs/dbraw/zinc/23/82/40/1106238240.db2.gz DLUZHOSBXAWCOQ-NRFANRHFSA-N 2 1 323.484 3.290 20 0 DGADMP [NH3+]Cc1ccccc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386979 1106238244 /nfs/dbraw/zinc/23/82/44/1106238244.db2.gz DLUZHOSBXAWCOQ-NRFANRHFSA-N 2 1 323.484 3.290 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC001255383713 1106238375 /nfs/dbraw/zinc/23/83/75/1106238375.db2.gz MNAOBMMLEWYARC-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP CC(C)(O)CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389352 1106239148 /nfs/dbraw/zinc/23/91/48/1106239148.db2.gz LSKKOSPBWJEPKX-GOSISDBHSA-N 2 1 304.478 3.182 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255390013 1106239189 /nfs/dbraw/zinc/23/91/89/1106239189.db2.gz WNNXKUSUXBPTIH-ROUUACIJSA-N 2 1 300.446 3.142 20 0 DGADMP O=C1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390013 1106239192 /nfs/dbraw/zinc/23/91/92/1106239192.db2.gz WNNXKUSUXBPTIH-ROUUACIJSA-N 2 1 300.446 3.142 20 0 DGADMP CC(C)[C@@H](CCO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389659 1106239388 /nfs/dbraw/zinc/23/93/88/1106239388.db2.gz PCDMIQBMYJXVIP-RBUKOAKNSA-N 2 1 304.478 3.038 20 0 DGADMP CCCC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388008 1106239406 /nfs/dbraw/zinc/23/94/06/1106239406.db2.gz XESUSEXYLVVVFE-RTBURBONSA-N 2 1 304.478 3.182 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389240 1106239609 /nfs/dbraw/zinc/23/96/09/1106239609.db2.gz CXSJVIQGQYIZEY-OALUTQOASA-N 2 1 304.478 3.182 20 0 DGADMP Fc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001255390715 1106239739 /nfs/dbraw/zinc/23/97/39/1106239739.db2.gz JXFCSUNELCBOBY-GOSISDBHSA-N 2 1 313.420 3.365 20 0 DGADMP Fc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255390715 1106239742 /nfs/dbraw/zinc/23/97/42/1106239742.db2.gz JXFCSUNELCBOBY-GOSISDBHSA-N 2 1 313.420 3.365 20 0 DGADMP C[NH+](C)CC(C)(C)CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392861 1106240172 /nfs/dbraw/zinc/24/01/72/1106240172.db2.gz JCJBHQPHCGYXEN-IBGZPJMESA-N 2 1 317.521 3.219 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392861 1106240175 /nfs/dbraw/zinc/24/01/75/1106240175.db2.gz JCJBHQPHCGYXEN-IBGZPJMESA-N 3 1 317.521 3.219 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392861 1106240178 /nfs/dbraw/zinc/24/01/78/1106240178.db2.gz JCJBHQPHCGYXEN-IBGZPJMESA-N 3 1 317.521 3.219 20 0 DGADMP COC[C@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255397057 1106240320 /nfs/dbraw/zinc/24/03/20/1106240320.db2.gz DHMLFOGPINXCIL-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255397057 1106240326 /nfs/dbraw/zinc/24/03/26/1106240326.db2.gz DHMLFOGPINXCIL-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397057 1106240331 /nfs/dbraw/zinc/24/03/31/1106240331.db2.gz DHMLFOGPINXCIL-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CC34CCOCC4)CC2)cc1 ZINC001255394160 1106240644 /nfs/dbraw/zinc/24/06/44/1106240644.db2.gz SNVSXGUZAWAYRY-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001255398537 1106242599 /nfs/dbraw/zinc/24/25/99/1106242599.db2.gz JUXLHUFCENKFPH-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001255398537 1106242602 /nfs/dbraw/zinc/24/26/02/1106242602.db2.gz JUXLHUFCENKFPH-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001255398537 1106242604 /nfs/dbraw/zinc/24/26/04/1106242604.db2.gz JUXLHUFCENKFPH-MISYRCLQSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001255398536 1106243469 /nfs/dbraw/zinc/24/34/69/1106243469.db2.gz JUXLHUFCENKFPH-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001255398536 1106243471 /nfs/dbraw/zinc/24/34/71/1106243471.db2.gz JUXLHUFCENKFPH-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001255398536 1106243475 /nfs/dbraw/zinc/24/34/75/1106243475.db2.gz JUXLHUFCENKFPH-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255403288 1106244094 /nfs/dbraw/zinc/24/40/94/1106244094.db2.gz CUUHFOFDPIOZRU-JENIJYKNSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255403288 1106244097 /nfs/dbraw/zinc/24/40/97/1106244097.db2.gz CUUHFOFDPIOZRU-JENIJYKNSA-N 2 1 302.462 3.150 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC4(C3)CCOCC4)CC2)cc1 ZINC001255401829 1106244170 /nfs/dbraw/zinc/24/41/70/1106244170.db2.gz CPGUQKIUMLUEMO-IBGZPJMESA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408540 1106246257 /nfs/dbraw/zinc/24/62/57/1106246257.db2.gz NHKPDZGQIVNEGY-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408540 1106246258 /nfs/dbraw/zinc/24/62/58/1106246258.db2.gz NHKPDZGQIVNEGY-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408540 1106246260 /nfs/dbraw/zinc/24/62/60/1106246260.db2.gz NHKPDZGQIVNEGY-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001255408540 1106246263 /nfs/dbraw/zinc/24/62/63/1106246263.db2.gz NHKPDZGQIVNEGY-LMMKCTJWSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)(O)[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408441 1106246700 /nfs/dbraw/zinc/24/67/00/1106246700.db2.gz MLDHFJYSUGDVCO-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408441 1106246703 /nfs/dbraw/zinc/24/67/03/1106246703.db2.gz MLDHFJYSUGDVCO-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408441 1106246706 /nfs/dbraw/zinc/24/67/06/1106246706.db2.gz MLDHFJYSUGDVCO-MOPGFXCFSA-N 2 1 316.489 3.276 20 0 DGADMP COC1CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255453930 1106252268 /nfs/dbraw/zinc/25/22/68/1106252268.db2.gz KARMNTCQDFPEOD-POSCCBCBSA-N 2 1 317.477 3.111 20 0 DGADMP CN1CCC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478005 1106256455 /nfs/dbraw/zinc/25/64/55/1106256455.db2.gz SMCNAAXFLRPTGZ-FHWLQOOXSA-N 2 1 307.526 3.233 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255538684 1106265993 /nfs/dbraw/zinc/26/59/93/1106265993.db2.gz ZOZKQDWRMOLXFZ-KZNAEPCWSA-N 2 1 317.477 3.111 20 0 DGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCC2(CC1)OCCO2 ZINC001255624505 1106280123 /nfs/dbraw/zinc/28/01/23/1106280123.db2.gz FEOLXLWIAHIQPF-KRWDZBQOSA-N 2 1 322.493 3.013 20 0 DGADMP C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255634501 1106281648 /nfs/dbraw/zinc/28/16/48/1106281648.db2.gz YGRKMQAGWQYREZ-DZGCQCFKSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001255658516 1106287485 /nfs/dbraw/zinc/28/74/85/1106287485.db2.gz RFCVJUFOXYFABA-FVQBIDKESA-N 2 1 312.379 3.391 20 0 DGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC001255680720 1106293161 /nfs/dbraw/zinc/29/31/61/1106293161.db2.gz HKRBCJBPIWBVTK-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC001255680720 1106293166 /nfs/dbraw/zinc/29/31/66/1106293166.db2.gz HKRBCJBPIWBVTK-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC001255680720 1106293170 /nfs/dbraw/zinc/29/31/70/1106293170.db2.gz HKRBCJBPIWBVTK-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP COc1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001255680720 1106293174 /nfs/dbraw/zinc/29/31/74/1106293174.db2.gz HKRBCJBPIWBVTK-SJPCQFCGSA-N 2 1 318.461 3.151 20 0 DGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001255766604 1106311468 /nfs/dbraw/zinc/31/14/68/1106311468.db2.gz UDSAKKXYVYJJFF-BBWFWOEESA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(SC[C@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001255766604 1106311471 /nfs/dbraw/zinc/31/14/71/1106311471.db2.gz UDSAKKXYVYJJFF-BBWFWOEESA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(SC[C@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001255766604 1106311472 /nfs/dbraw/zinc/31/14/72/1106311472.db2.gz UDSAKKXYVYJJFF-BBWFWOEESA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001255766605 1106311631 /nfs/dbraw/zinc/31/16/31/1106311631.db2.gz UDSAKKXYVYJJFF-ZACQAIPSSA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(SC[C@@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001255766605 1106311635 /nfs/dbraw/zinc/31/16/35/1106311635.db2.gz UDSAKKXYVYJJFF-ZACQAIPSSA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(SC[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001255766605 1106311640 /nfs/dbraw/zinc/31/16/40/1106311640.db2.gz UDSAKKXYVYJJFF-ZACQAIPSSA-N 2 1 304.503 3.359 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001255792540 1106317476 /nfs/dbraw/zinc/31/74/76/1106317476.db2.gz WMZMKJKCMWNQSI-MRXNPFEDSA-N 2 1 315.461 3.056 20 0 DGADMP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940370 1106345000 /nfs/dbraw/zinc/34/50/00/1106345000.db2.gz AVANINCUUSKAPG-ICSRJNTNSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255940370 1106345001 /nfs/dbraw/zinc/34/50/01/1106345001.db2.gz AVANINCUUSKAPG-ICSRJNTNSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940370 1106345005 /nfs/dbraw/zinc/34/50/05/1106345005.db2.gz AVANINCUUSKAPG-ICSRJNTNSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940371 1106345507 /nfs/dbraw/zinc/34/55/07/1106345507.db2.gz AVANINCUUSKAPG-QUCCMNQESA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255940371 1106345509 /nfs/dbraw/zinc/34/55/09/1106345509.db2.gz AVANINCUUSKAPG-QUCCMNQESA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940371 1106345512 /nfs/dbraw/zinc/34/55/12/1106345512.db2.gz AVANINCUUSKAPG-QUCCMNQESA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccnc(Br)c1 ZINC001255945567 1106346315 /nfs/dbraw/zinc/34/63/15/1106346315.db2.gz GPFFIYPPBBCTLW-GFCCVEGCSA-N 2 1 314.271 3.054 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1cc(OC)cc(OC)c1 ZINC001255948212 1106346866 /nfs/dbraw/zinc/34/68/66/1106346866.db2.gz HEPJVTLMJVXUPN-GJZGRUSLSA-N 2 1 308.466 3.475 20 0 DGADMP CCOC(=O)C[C@@H]([NH2+][C@H](C)CC[NH+](CC)CC)c1ccccc1 ZINC001255948517 1106347156 /nfs/dbraw/zinc/34/71/56/1106347156.db2.gz MQRXUKGFGDJADP-SJLPKXTDSA-N 2 1 320.477 3.391 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001255948011 1106347506 /nfs/dbraw/zinc/34/75/06/1106347506.db2.gz CKCIBUNFZZAKRH-KUNTWMTDSA-N 2 1 321.553 3.336 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001255948011 1106347511 /nfs/dbraw/zinc/34/75/11/1106347511.db2.gz CKCIBUNFZZAKRH-KUNTWMTDSA-N 2 1 321.553 3.336 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1cnc2c(C)cccn12 ZINC001255953219 1106348438 /nfs/dbraw/zinc/34/84/38/1106348438.db2.gz ZFWOZPVUDYVRIL-CVEARBPZSA-N 2 1 302.466 3.414 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001255954756 1106349346 /nfs/dbraw/zinc/34/93/46/1106349346.db2.gz ZLCAINAQYCBBDM-QUCCMNQESA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001255954756 1106349350 /nfs/dbraw/zinc/34/93/50/1106349350.db2.gz ZLCAINAQYCBBDM-QUCCMNQESA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255956089 1106349938 /nfs/dbraw/zinc/34/99/38/1106349938.db2.gz GYZHORJPMPXDRH-UYAOXDASSA-N 2 1 317.521 3.313 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2cccnc2)CC1 ZINC001255960884 1106350967 /nfs/dbraw/zinc/35/09/67/1106350967.db2.gz JLAFZDPKMZXAGQ-INIZCTEOSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001255961989 1106351340 /nfs/dbraw/zinc/35/13/40/1106351340.db2.gz RNPDGWTUNJZJPR-OAHLLOKOSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001255961989 1106351342 /nfs/dbraw/zinc/35/13/42/1106351342.db2.gz RNPDGWTUNJZJPR-OAHLLOKOSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001255962226 1106351393 /nfs/dbraw/zinc/35/13/93/1106351393.db2.gz SFBRUKXPCARRSE-YJBOKZPZSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001255962226 1106351394 /nfs/dbraw/zinc/35/13/94/1106351394.db2.gz SFBRUKXPCARRSE-YJBOKZPZSA-N 2 1 308.441 3.399 20 0 DGADMP [NH3+]CCCC[NH+]1CCN([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256111865 1106370126 /nfs/dbraw/zinc/37/01/26/1106370126.db2.gz FGGINUCFJKNYBK-PMACEKPBSA-N 2 1 315.505 3.069 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001256153192 1106379888 /nfs/dbraw/zinc/37/98/88/1106379888.db2.gz UPQRONFFKVMFCM-LPHOPBHVSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001256154570 1106380291 /nfs/dbraw/zinc/38/02/91/1106380291.db2.gz WNRYRAHWHNGNGR-LEUOFYLZSA-N 2 1 302.462 3.231 20 0 DGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001256154570 1106380297 /nfs/dbraw/zinc/38/02/97/1106380297.db2.gz WNRYRAHWHNGNGR-LEUOFYLZSA-N 2 1 302.462 3.231 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001256163817 1106381461 /nfs/dbraw/zinc/38/14/61/1106381461.db2.gz GWCUHYBZEPZGPJ-INIZCTEOSA-N 2 1 304.478 3.432 20 0 DGADMP C[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)CC1 ZINC001256202056 1106389603 /nfs/dbraw/zinc/38/96/03/1106389603.db2.gz WBEXBQRLMFPUOR-UHFFFAOYSA-N 2 1 322.880 3.116 20 0 DGADMP C[NH+]1CCC([NH2+]C2(Cc3ccccc3Cl)CCOCC2)CC1 ZINC001256201302 1106390104 /nfs/dbraw/zinc/39/01/04/1106390104.db2.gz CYQXXEUMJPFIMT-UHFFFAOYSA-N 2 1 322.880 3.116 20 0 DGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)CCc1ccc(Br)cc1 ZINC001256214183 1106392006 /nfs/dbraw/zinc/39/20/06/1106392006.db2.gz ICBNZTNPBYNOML-CHWSQXEVSA-N 2 1 313.283 3.297 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001256353402 1106408467 /nfs/dbraw/zinc/40/84/67/1106408467.db2.gz TXBGOIOYUJIMRZ-GOSISDBHSA-N 2 1 317.521 3.348 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CCC(C)C)C2 ZINC001256364644 1106410398 /nfs/dbraw/zinc/41/03/98/1106410398.db2.gz MHNWYBJMFGVYJK-DFQSSKMNSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CCC(C)C)C2 ZINC001256364644 1106410400 /nfs/dbraw/zinc/41/04/00/1106410400.db2.gz MHNWYBJMFGVYJK-DFQSSKMNSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CCC(C)C)C2 ZINC001256364644 1106410404 /nfs/dbraw/zinc/41/04/04/1106410404.db2.gz MHNWYBJMFGVYJK-DFQSSKMNSA-N 2 1 322.537 3.491 20 0 DGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CCC(C)C)CC2)C1 ZINC001256372253 1106411895 /nfs/dbraw/zinc/41/18/95/1106411895.db2.gz JRITXAWFDHQRNV-IRXDYDNUSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@H](Cc1ccccn1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256404518 1106415993 /nfs/dbraw/zinc/41/59/93/1106415993.db2.gz FPDSROYPALLBCW-YVWKXTFCSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256407305 1106416735 /nfs/dbraw/zinc/41/67/35/1106416735.db2.gz MBMOGWLQJXFGPC-QRFRQXIXSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519894 1106433205 /nfs/dbraw/zinc/43/32/05/1106433205.db2.gz GMRAOOVOAJWOLP-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256519894 1106433208 /nfs/dbraw/zinc/43/32/08/1106433208.db2.gz GMRAOOVOAJWOLP-AEFFLSMTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522169 1106433552 /nfs/dbraw/zinc/43/35/52/1106433552.db2.gz FABPUYINZCZKQL-GGPKGHCWSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256526832 1106434729 /nfs/dbraw/zinc/43/47/29/1106434729.db2.gz OTZVKZVBCHOELF-AEFFLSMTSA-N 2 1 320.452 3.148 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256526832 1106434730 /nfs/dbraw/zinc/43/47/30/1106434730.db2.gz OTZVKZVBCHOELF-AEFFLSMTSA-N 2 1 320.452 3.148 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001256530659 1106435558 /nfs/dbraw/zinc/43/55/58/1106435558.db2.gz OKAHVVTWVGUQHV-DOTOQJQBSA-N 2 1 315.486 3.328 20 0 DGADMP COCC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536255 1106436448 /nfs/dbraw/zinc/43/64/48/1106436448.db2.gz GBZBBCQVKXODQE-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP COCC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536255 1106436452 /nfs/dbraw/zinc/43/64/52/1106436452.db2.gz GBZBBCQVKXODQE-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001256536613 1106437089 /nfs/dbraw/zinc/43/70/89/1106437089.db2.gz KUVYSIQGHMVOPO-QXAKKESOSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001256536613 1106437090 /nfs/dbraw/zinc/43/70/90/1106437090.db2.gz KUVYSIQGHMVOPO-QXAKKESOSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539563 1106437561 /nfs/dbraw/zinc/43/75/61/1106437561.db2.gz VTCGNOIMBFUTHR-GSEOLPGOSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539563 1106437564 /nfs/dbraw/zinc/43/75/64/1106437564.db2.gz VTCGNOIMBFUTHR-GSEOLPGOSA-N 2 1 316.489 3.323 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539446 1106437579 /nfs/dbraw/zinc/43/75/79/1106437579.db2.gz XQJKRTVVDBNUEZ-PKOBYXMFSA-N 2 1 314.473 3.152 20 0 DGADMP CCC[N@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537594 1106438121 /nfs/dbraw/zinc/43/81/21/1106438121.db2.gz OOZWJXACZMGWGY-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[N@@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537594 1106438124 /nfs/dbraw/zinc/43/81/24/1106438124.db2.gz OOZWJXACZMGWGY-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537594 1106438125 /nfs/dbraw/zinc/43/81/25/1106438125.db2.gz OOZWJXACZMGWGY-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CCC[NH+](CCOC)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537594 1106438128 /nfs/dbraw/zinc/43/81/28/1106438128.db2.gz OOZWJXACZMGWGY-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256541484 1106439131 /nfs/dbraw/zinc/43/91/31/1106439131.db2.gz MBBQCFAWBWIXLV-APWZRJJASA-N 2 1 324.472 3.060 20 0 DGADMP Cc1[nH+]cc2n1CCN([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256541484 1106439134 /nfs/dbraw/zinc/43/91/34/1106439134.db2.gz MBBQCFAWBWIXLV-APWZRJJASA-N 2 1 324.472 3.060 20 0 DGADMP CC[N@H+](CC(C)(C)O)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554194 1106442243 /nfs/dbraw/zinc/44/22/43/1106442243.db2.gz OKTRSNGVCCCXMZ-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554194 1106442245 /nfs/dbraw/zinc/44/22/45/1106442245.db2.gz OKTRSNGVCCCXMZ-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554194 1106442247 /nfs/dbraw/zinc/44/22/47/1106442247.db2.gz OKTRSNGVCCCXMZ-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554194 1106442249 /nfs/dbraw/zinc/44/22/49/1106442249.db2.gz OKTRSNGVCCCXMZ-FUHWJXTLSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](CCO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256556370 1106443538 /nfs/dbraw/zinc/44/35/38/1106443538.db2.gz ZENGIDFJNMNBPN-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556370 1106443541 /nfs/dbraw/zinc/44/35/41/1106443541.db2.gz ZENGIDFJNMNBPN-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556370 1106443543 /nfs/dbraw/zinc/44/35/43/1106443543.db2.gz ZENGIDFJNMNBPN-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556370 1106443548 /nfs/dbraw/zinc/44/35/48/1106443548.db2.gz ZENGIDFJNMNBPN-YZGWKJHDSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575608 1106448490 /nfs/dbraw/zinc/44/84/90/1106448490.db2.gz RVUNHKUWFYQALR-UHFFFAOYSA-N 2 1 304.434 3.110 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575608 1106448493 /nfs/dbraw/zinc/44/84/93/1106448493.db2.gz RVUNHKUWFYQALR-UHFFFAOYSA-N 2 1 304.434 3.110 20 0 DGADMP COc1ccccc1CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256619467 1106455405 /nfs/dbraw/zinc/45/54/05/1106455405.db2.gz DIGPZMJZQDYEMH-AYHJJNSGSA-N 2 1 314.473 3.233 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623284 1106456224 /nfs/dbraw/zinc/45/62/24/1106456224.db2.gz MVGMJQLVDWOFBX-VPSFDDGASA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256623284 1106456229 /nfs/dbraw/zinc/45/62/29/1106456229.db2.gz MVGMJQLVDWOFBX-VPSFDDGASA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256623284 1106456233 /nfs/dbraw/zinc/45/62/33/1106456233.db2.gz MVGMJQLVDWOFBX-VPSFDDGASA-N 2 1 300.446 3.110 20 0 DGADMP C[N@@H+](C/C=C/c1ccccc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695447 1106470690 /nfs/dbraw/zinc/47/06/90/1106470690.db2.gz AHUGUKHCXNTXDZ-VMPITWQZSA-N 2 1 314.473 3.275 20 0 DGADMP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256719233 1106472345 /nfs/dbraw/zinc/47/23/45/1106472345.db2.gz OJTVBMHFVXKAPN-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001256743258 1106477640 /nfs/dbraw/zinc/47/76/40/1106477640.db2.gz SAQQVNZCSJRVJB-PKOBYXMFSA-N 2 1 301.478 3.353 20 0 DGADMP C[C@@H](Cc1ccccc1Br)n1cc[nH+]c1CCC[NH3+] ZINC001256837155 1106494266 /nfs/dbraw/zinc/49/42/66/1106494266.db2.gz BBSIJMKJOYHZBK-LBPRGKRZSA-N 2 1 322.250 3.341 20 0 DGADMP Cc1cc([C@H]2CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)no1 ZINC001256855734 1106498281 /nfs/dbraw/zinc/49/82/81/1106498281.db2.gz UPLPLKNSGBDTMU-GOSISDBHSA-N 2 1 312.417 3.184 20 0 DGADMP c1ccc([C@@H]2CCC[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)nc1 ZINC001256860783 1106498729 /nfs/dbraw/zinc/49/87/29/1106498729.db2.gz IIQZRENKJRDQQP-QGZVFWFLSA-N 2 1 322.456 3.325 20 0 DGADMP C(CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)CC[NH+]1CCCC1 ZINC001256901872 1106505865 /nfs/dbraw/zinc/50/58/65/1106505865.db2.gz LIOZARQLRLIHKN-GOSISDBHSA-N 3 1 307.526 3.249 20 0 DGADMP C(CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)CC[NH+]1CCCC1 ZINC001256901872 1106505869 /nfs/dbraw/zinc/50/58/69/1106505869.db2.gz LIOZARQLRLIHKN-GOSISDBHSA-N 3 1 307.526 3.249 20 0 DGADMP COc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256901963 1106505941 /nfs/dbraw/zinc/50/59/41/1106505941.db2.gz MUBVMSZCPXGOAS-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256901963 1106505945 /nfs/dbraw/zinc/50/59/45/1106505945.db2.gz MUBVMSZCPXGOAS-KRWDZBQOSA-N 2 1 302.462 3.234 20 0 DGADMP [NH3+]CC[C@@H]1CN([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256900800 1106506329 /nfs/dbraw/zinc/50/63/29/1106506329.db2.gz BLNZJZWQQGMCPV-AEFFLSMTSA-N 2 1 313.489 3.346 20 0 DGADMP NC(=[NH2+])N(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905307 1106507795 /nfs/dbraw/zinc/50/77/95/1106507795.db2.gz OCWXILYMLDODBO-MRXNPFEDSA-N 2 1 320.868 3.447 20 0 DGADMP CC(C)C[NH+]1CCC(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256905580 1106508246 /nfs/dbraw/zinc/50/82/46/1106508246.db2.gz UEMJFMHBIFQMLV-GOSISDBHSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@H](C)O1 ZINC001257091968 1106536917 /nfs/dbraw/zinc/53/69/17/1106536917.db2.gz LVVGLVZMQPQVNX-QEOTZNIISA-N 2 1 320.502 3.068 20 0 DGADMP C[C@H]1CC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001257104456 1106540160 /nfs/dbraw/zinc/54/01/60/1106540160.db2.gz WUIFWXHJQGHHFI-PBWTXFEYSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@H]1CC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001257104456 1106540162 /nfs/dbraw/zinc/54/01/62/1106540162.db2.gz WUIFWXHJQGHHFI-PBWTXFEYSA-N 2 1 314.473 3.006 20 0 DGADMP C[C@H]1CC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001257104456 1106540164 /nfs/dbraw/zinc/54/01/64/1106540164.db2.gz WUIFWXHJQGHHFI-PBWTXFEYSA-N 2 1 314.473 3.006 20 0 DGADMP CC(C)N1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257212519 1106552249 /nfs/dbraw/zinc/55/22/49/1106552249.db2.gz XKSLXIUOCNPYFM-SAABIXHNSA-N 2 1 307.526 3.374 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257212519 1106552250 /nfs/dbraw/zinc/55/22/50/1106552250.db2.gz XKSLXIUOCNPYFM-SAABIXHNSA-N 3 1 307.526 3.374 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257212519 1106552251 /nfs/dbraw/zinc/55/22/51/1106552251.db2.gz XKSLXIUOCNPYFM-SAABIXHNSA-N 3 1 307.526 3.374 20 0 DGADMP Cc1ccnc(OC2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001257223442 1106554606 /nfs/dbraw/zinc/55/46/06/1106554606.db2.gz PIVGJGMZYASZMP-UHFFFAOYSA-N 2 1 317.477 3.106 20 0 DGADMP CCC[C@H](CC)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001257247669 1106556064 /nfs/dbraw/zinc/55/60/64/1106556064.db2.gz YVSPHLLAAWDWOF-IBGZPJMESA-N 2 1 303.494 3.102 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257960844 1106651978 /nfs/dbraw/zinc/65/19/78/1106651978.db2.gz ZLZNCYXZVCNQQO-YOEHRIQHSA-N 2 1 322.880 3.485 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CC[NH+](CC(C)C)CC2)cc1 ZINC001258016386 1106658044 /nfs/dbraw/zinc/65/80/44/1106658044.db2.gz HAOIKOZEEZZRAP-UHFFFAOYSA-N 2 1 304.478 3.290 20 0 DGADMP CC(C)C[NH+]1CCC([NH+]2CCC(Oc3cccnc3)CC2)CC1 ZINC001258014628 1106658172 /nfs/dbraw/zinc/65/81/72/1106658172.db2.gz PFGXKUSQLWPYBC-UHFFFAOYSA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC001258019551 1106659388 /nfs/dbraw/zinc/65/93/88/1106659388.db2.gz BVGYWENNIXIGPP-SFHVURJKSA-N 2 1 302.462 3.042 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001258017616 1106659624 /nfs/dbraw/zinc/65/96/24/1106659624.db2.gz BVTSRTGGEDKLHZ-IBGZPJMESA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001258017616 1106659627 /nfs/dbraw/zinc/65/96/27/1106659627.db2.gz BVTSRTGGEDKLHZ-IBGZPJMESA-N 2 1 308.510 3.388 20 0 DGADMP CC(C)C[C@@H](C)C[C@@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001258074634 1106668333 /nfs/dbraw/zinc/66/83/33/1106668333.db2.gz LISVWECCDKVMHJ-RTBURBONSA-N 2 1 323.569 3.407 20 0 DGADMP CCC[N@H+](CCOC)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140768 1106680150 /nfs/dbraw/zinc/68/01/50/1106680150.db2.gz HLYXEMVWTBQOBD-UHFFFAOYSA-N 2 1 304.478 3.052 20 0 DGADMP CCC[N@@H+](CCOC)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140768 1106680153 /nfs/dbraw/zinc/68/01/53/1106680153.db2.gz HLYXEMVWTBQOBD-UHFFFAOYSA-N 2 1 304.478 3.052 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258167025 1106685338 /nfs/dbraw/zinc/68/53/38/1106685338.db2.gz FLUVYPFDKCZECA-OGWHTMIXSA-N 2 1 308.510 3.386 20 0 DGADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258188337 1106691254 /nfs/dbraw/zinc/69/12/54/1106691254.db2.gz JUAZGHIUEKHTFY-OAGGEKHMSA-N 2 1 316.470 3.336 20 0 DGADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258188337 1106691258 /nfs/dbraw/zinc/69/12/58/1106691258.db2.gz JUAZGHIUEKHTFY-OAGGEKHMSA-N 2 1 316.470 3.336 20 0 DGADMP C[C@H](Cc1ccco1)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258188337 1106691260 /nfs/dbraw/zinc/69/12/60/1106691260.db2.gz JUAZGHIUEKHTFY-OAGGEKHMSA-N 2 1 316.470 3.336 20 0 DGADMP C[C@H](Cc1ccco1)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258188337 1106691263 /nfs/dbraw/zinc/69/12/63/1106691263.db2.gz JUAZGHIUEKHTFY-OAGGEKHMSA-N 2 1 316.470 3.336 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258412308 1106734718 /nfs/dbraw/zinc/73/47/18/1106734718.db2.gz GFLIUKOEMXNLHB-OALUTQOASA-N 2 1 319.468 3.257 20 0 DGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H](C)CCC(=O)OCC ZINC001258479022 1106770315 /nfs/dbraw/zinc/77/03/15/1106770315.db2.gz ZOKJPCGDHJBZRI-INIZCTEOSA-N 2 1 300.487 3.210 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258505241 1106784698 /nfs/dbraw/zinc/78/46/98/1106784698.db2.gz CKKUDULATIJJTP-OALUTQOASA-N 2 1 301.478 3.118 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC001258509865 1106790516 /nfs/dbraw/zinc/79/05/16/1106790516.db2.gz JKJRMGKCFNZUMP-PXNSSMCTSA-N 2 1 315.505 3.364 20 0 DGADMP CC[NH+]1CCC([NH2+]C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258535716 1106804375 /nfs/dbraw/zinc/80/43/75/1106804375.db2.gz OMFXGWGPSIHXIG-UHFFFAOYSA-N 2 1 321.896 3.383 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CCC(C)(C)C2)c2c1CC[NH2+]C2 ZINC001258601175 1106839747 /nfs/dbraw/zinc/83/97/47/1106839747.db2.gz QTMJTYMXGDHEQR-CQSZACIVSA-N 2 1 304.482 3.120 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001258629698 1106866297 /nfs/dbraw/zinc/86/62/97/1106866297.db2.gz GGYXOCWEWXEJIP-RXVVDRJESA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001258629698 1106866316 /nfs/dbraw/zinc/86/63/16/1106866316.db2.gz GGYXOCWEWXEJIP-RXVVDRJESA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258629698 1106866335 /nfs/dbraw/zinc/86/63/35/1106866335.db2.gz GGYXOCWEWXEJIP-RXVVDRJESA-N 2 1 323.484 3.467 20 0 DGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258671031 1106892695 /nfs/dbraw/zinc/89/26/95/1106892695.db2.gz LCPGFNJLTWVPGB-GBESFXJTSA-N 2 1 309.542 3.446 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001258774317 1106966747 /nfs/dbraw/zinc/96/67/47/1106966747.db2.gz MTVYVLBCBRBUNC-KRWDZBQOSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001258774317 1106966766 /nfs/dbraw/zinc/96/67/66/1106966766.db2.gz MTVYVLBCBRBUNC-KRWDZBQOSA-N 2 1 318.461 3.023 20 0 DGADMP CCC[NH+]1CCC(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001258771502 1106966880 /nfs/dbraw/zinc/96/68/80/1106966880.db2.gz FVHYDCBEQBXLHV-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001258777443 1106971449 /nfs/dbraw/zinc/97/14/49/1106971449.db2.gz WDUMRVYFUGGUMF-QGZVFWFLSA-N 2 1 302.462 3.359 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258886085 1107039310 /nfs/dbraw/zinc/03/93/10/1107039310.db2.gz BQBONTOSJDDZPT-IRXDYDNUSA-N 2 1 304.478 3.467 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258905109 1107053203 /nfs/dbraw/zinc/05/32/03/1107053203.db2.gz UMSACBTZKFKLCV-ZWKOTPCHSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258905109 1107053217 /nfs/dbraw/zinc/05/32/17/1107053217.db2.gz UMSACBTZKFKLCV-ZWKOTPCHSA-N 3 1 309.542 3.494 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001258907100 1107053534 /nfs/dbraw/zinc/05/35/34/1107053534.db2.gz FPLQEMCQXXXDEB-INIZCTEOSA-N 2 1 320.477 3.400 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001258907715 1107054247 /nfs/dbraw/zinc/05/42/47/1107054247.db2.gz MXHUWSFHAPNACP-GJZGRUSLSA-N 2 1 324.431 3.276 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001320868218 1107168426 /nfs/dbraw/zinc/16/84/26/1107168426.db2.gz BKWLKTMMSGVIOJ-INIZCTEOSA-N 2 1 314.477 3.474 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001320868218 1107168430 /nfs/dbraw/zinc/16/84/30/1107168430.db2.gz BKWLKTMMSGVIOJ-INIZCTEOSA-N 2 1 314.477 3.474 20 0 DGADMP Cc1c[nH+]c2ccccc2c1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001321115318 1107254938 /nfs/dbraw/zinc/25/49/38/1107254938.db2.gz KMALCIIWDRQMCN-IYBDPMFKSA-N 2 1 313.445 3.089 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC001261201402 1107358219 /nfs/dbraw/zinc/35/82/19/1107358219.db2.gz AUCPHIYMADSVAV-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2)C1 ZINC001261201402 1107358235 /nfs/dbraw/zinc/35/82/35/1107358235.db2.gz AUCPHIYMADSVAV-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC001261201400 1107358699 /nfs/dbraw/zinc/35/86/99/1107358699.db2.gz AUCPHIYMADSVAV-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC001261201400 1107358711 /nfs/dbraw/zinc/35/87/11/1107358711.db2.gz AUCPHIYMADSVAV-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483228 1107443458 /nfs/dbraw/zinc/44/34/58/1107443458.db2.gz MPINBYSBLURXOC-INIZCTEOSA-N 2 1 300.446 3.018 20 0 DGADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1SC ZINC001261482883 1107443514 /nfs/dbraw/zinc/44/35/14/1107443514.db2.gz BRSWVXANLNPCHX-UHFFFAOYSA-N 2 1 320.502 3.383 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001262011602 1107572175 /nfs/dbraw/zinc/57/21/75/1107572175.db2.gz RHTVSLSALKCLNL-UHFFFAOYSA-N 2 1 312.461 3.403 20 0 DGADMP Cc1cc(C)cc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001262113157 1107625520 /nfs/dbraw/zinc/62/55/20/1107625520.db2.gz DXGCZYUYQVRECV-UHFFFAOYSA-N 2 1 316.489 3.079 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001262276049 1107667286 /nfs/dbraw/zinc/66/72/86/1107667286.db2.gz SNMQIHFHCYFBFM-INIZCTEOSA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[nH+]cc3Br)C[C@H]2C1 ZINC001262376994 1107704359 /nfs/dbraw/zinc/70/43/59/1107704359.db2.gz ISTLPSHMQZWCIS-YNEHKIRRSA-N 2 1 324.266 3.011 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3Br)C[C@@H]2C1 ZINC001262376991 1107705088 /nfs/dbraw/zinc/70/50/88/1107705088.db2.gz ISTLPSHMQZWCIS-FRRDWIJNSA-N 2 1 324.266 3.011 20 0 DGADMP Nc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc[nH+]1 ZINC001318331181 1107946923 /nfs/dbraw/zinc/94/69/23/1107946923.db2.gz NNCCELVWQFUGOC-UHFFFAOYSA-N 2 1 311.433 3.047 20 0 DGADMP Nc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)[nH+]cn1 ZINC001318331181 1107946930 /nfs/dbraw/zinc/94/69/30/1107946930.db2.gz NNCCELVWQFUGOC-UHFFFAOYSA-N 2 1 311.433 3.047 20 0 DGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379625630 1108033567 /nfs/dbraw/zinc/03/35/67/1108033567.db2.gz KZVYODPKYHBPOF-HOJAQTOUSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379625630 1108033582 /nfs/dbraw/zinc/03/35/82/1108033582.db2.gz KZVYODPKYHBPOF-HOJAQTOUSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379625630 1108033593 /nfs/dbraw/zinc/03/35/93/1108033593.db2.gz KZVYODPKYHBPOF-HOJAQTOUSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000379633389 1108033948 /nfs/dbraw/zinc/03/39/48/1108033948.db2.gz UFQPTBZTOXCGQK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633389 1108033960 /nfs/dbraw/zinc/03/39/60/1108033960.db2.gz UFQPTBZTOXCGQK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633389 1108033975 /nfs/dbraw/zinc/03/39/75/1108033975.db2.gz UFQPTBZTOXCGQK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000379633389 1108033997 /nfs/dbraw/zinc/03/39/97/1108033997.db2.gz UFQPTBZTOXCGQK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000379633389 1108034010 /nfs/dbraw/zinc/03/40/10/1108034010.db2.gz UFQPTBZTOXCGQK-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000379633391 1108034150 /nfs/dbraw/zinc/03/41/50/1108034150.db2.gz UFQPTBZTOXCGQK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633391 1108034157 /nfs/dbraw/zinc/03/41/57/1108034157.db2.gz UFQPTBZTOXCGQK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633391 1108034173 /nfs/dbraw/zinc/03/41/73/1108034173.db2.gz UFQPTBZTOXCGQK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000379633391 1108034203 /nfs/dbraw/zinc/03/42/03/1108034203.db2.gz UFQPTBZTOXCGQK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000379633391 1108034218 /nfs/dbraw/zinc/03/42/18/1108034218.db2.gz UFQPTBZTOXCGQK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000379633386 1108034889 /nfs/dbraw/zinc/03/48/89/1108034889.db2.gz UFQPTBZTOXCGQK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633386 1108034901 /nfs/dbraw/zinc/03/49/01/1108034901.db2.gz UFQPTBZTOXCGQK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000379633386 1108034915 /nfs/dbraw/zinc/03/49/15/1108034915.db2.gz UFQPTBZTOXCGQK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000379633386 1108034942 /nfs/dbraw/zinc/03/49/42/1108034942.db2.gz UFQPTBZTOXCGQK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000379633386 1108034955 /nfs/dbraw/zinc/03/49/55/1108034955.db2.gz UFQPTBZTOXCGQK-HOJAQTOUSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1sc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC000379927662 1108052508 /nfs/dbraw/zinc/05/25/08/1108052508.db2.gz SYDQGNQXXAPYFA-NSHDSACASA-N 2 1 317.296 3.380 20 0 DGADMP Cc1sc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC000379927662 1108052521 /nfs/dbraw/zinc/05/25/21/1108052521.db2.gz SYDQGNQXXAPYFA-NSHDSACASA-N 2 1 317.296 3.380 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(N)c1 ZINC000380071915 1108055171 /nfs/dbraw/zinc/05/51/71/1108055171.db2.gz QKZSOKWGZFCZSE-ZIFCJYIRSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(N)c1 ZINC000380071915 1108055185 /nfs/dbraw/zinc/05/51/85/1108055185.db2.gz QKZSOKWGZFCZSE-ZIFCJYIRSA-N 2 1 322.456 3.295 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccn2C2CC2)[C@H](C)C1 ZINC001325118013 1108578420 /nfs/dbraw/zinc/57/84/20/1108578420.db2.gz RNEYKIITHORLBE-VQIMIIECSA-N 2 1 319.493 3.050 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001319832923 1108656360 /nfs/dbraw/zinc/65/63/60/1108656360.db2.gz FNIPXUJZENNZBP-GTAWCEEGSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001319832923 1108656364 /nfs/dbraw/zinc/65/63/64/1108656364.db2.gz FNIPXUJZENNZBP-GTAWCEEGSA-N 2 1 315.505 3.284 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001265220526 1108784067 /nfs/dbraw/zinc/78/40/67/1108784067.db2.gz MUIJBAUXVGAOGG-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001265220526 1108784072 /nfs/dbraw/zinc/78/40/72/1108784072.db2.gz MUIJBAUXVGAOGG-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265220526 1108784076 /nfs/dbraw/zinc/78/40/76/1108784076.db2.gz MUIJBAUXVGAOGG-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)(CO)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000393402978 1109008073 /nfs/dbraw/zinc/00/80/73/1109008073.db2.gz RLWYAXBSAGPDJC-UHFFFAOYSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC001306932332 1111252162 /nfs/dbraw/zinc/25/21/62/1111252162.db2.gz SFMPIQVURAFFJS-NEPJUHHUSA-N 2 1 301.356 3.197 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCCC[C@H]1C ZINC001306932332 1111252166 /nfs/dbraw/zinc/25/21/66/1111252166.db2.gz SFMPIQVURAFFJS-NEPJUHHUSA-N 2 1 301.356 3.197 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC001307111960 1111266769 /nfs/dbraw/zinc/26/67/69/1111266769.db2.gz RONWAUBOFYHUFI-CYBMUJFWSA-N 2 1 301.356 3.055 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C(=O)OC)c2)C[C@H]1C ZINC001307517380 1111309072 /nfs/dbraw/zinc/30/90/72/1111309072.db2.gz ZAQZICSRTFWYTC-NVXWUHKLSA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@H]1C ZINC001307517380 1111309076 /nfs/dbraw/zinc/30/90/76/1111309076.db2.gz ZAQZICSRTFWYTC-NVXWUHKLSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C(=O)OC)c2)C[C@H]1C ZINC001307517380 1111309082 /nfs/dbraw/zinc/30/90/82/1111309082.db2.gz ZAQZICSRTFWYTC-NVXWUHKLSA-N 2 1 318.461 3.086 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC001307703792 1111329984 /nfs/dbraw/zinc/32/99/84/1111329984.db2.gz ZJLDPBKEKGTJDH-FUHIMQAGSA-N 2 1 316.489 3.433 20 0 DGADMP COCC[N@H+](Cc1ccccc1C1CC1)CC1CC[NH+](C)CC1 ZINC001307991017 1111363542 /nfs/dbraw/zinc/36/35/42/1111363542.db2.gz YORIBRIZQMCSIE-UHFFFAOYSA-N 2 1 316.489 3.354 20 0 DGADMP C[C@H]1C[N@@H+](CCCc2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001308040618 1111369986 /nfs/dbraw/zinc/36/99/86/1111369986.db2.gz MBEBAVCVFVYUKV-INIZCTEOSA-N 2 1 313.420 3.364 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001308181003 1111392251 /nfs/dbraw/zinc/39/22/51/1111392251.db2.gz UZRKPGBHGCSSNN-UHFFFAOYSA-N 2 1 318.383 3.449 20 0 DGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc(C)n1 ZINC001308196312 1111395734 /nfs/dbraw/zinc/39/57/34/1111395734.db2.gz FNDXQHAPIINHQG-UHFFFAOYSA-N 2 1 309.457 3.236 20 0 DGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc(C)n1 ZINC001308196312 1111395738 /nfs/dbraw/zinc/39/57/38/1111395738.db2.gz FNDXQHAPIINHQG-UHFFFAOYSA-N 2 1 309.457 3.236 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC001308257594 1111406426 /nfs/dbraw/zinc/40/64/26/1111406426.db2.gz WLCBMRQFUXCMAU-QRVBRYPASA-N 2 1 302.462 3.023 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC001308257594 1111406429 /nfs/dbraw/zinc/40/64/29/1111406429.db2.gz WLCBMRQFUXCMAU-QRVBRYPASA-N 2 1 302.462 3.023 20 0 DGADMP CC1(C)CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001308366251 1111422302 /nfs/dbraw/zinc/42/23/02/1111422302.db2.gz KGZNIDYGONWDKW-RBUKOAKNSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH]n1 ZINC001308548481 1111441498 /nfs/dbraw/zinc/44/14/98/1111441498.db2.gz VVGHFSXKPIPXPX-QYZOEREBSA-N 2 1 324.472 3.108 20 0 DGADMP COc1ccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001308563439 1111444520 /nfs/dbraw/zinc/44/45/20/1111444520.db2.gz SVVHXAUZODQYDL-MRXNPFEDSA-N 2 1 320.502 3.205 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001308563439 1111444522 /nfs/dbraw/zinc/44/45/22/1111444522.db2.gz SVVHXAUZODQYDL-MRXNPFEDSA-N 2 1 320.502 3.205 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC001308578759 1111447186 /nfs/dbraw/zinc/44/71/86/1111447186.db2.gz XBJPNUSHVNJYJH-SJORKVTESA-N 2 1 322.518 3.368 20 0 DGADMP C[C@]1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCO1 ZINC001308723236 1111466060 /nfs/dbraw/zinc/46/60/60/1111466060.db2.gz OOAIGBDNLLVKLZ-LJQANCHMSA-N 2 1 317.477 3.358 20 0 DGADMP CC[N@@H+](CCOc1ccccc1C)CC1CC[NH+](CC)CC1 ZINC001308827102 1111481191 /nfs/dbraw/zinc/48/11/91/1111481191.db2.gz ICPWMSCJAAHIKM-UHFFFAOYSA-N 2 1 304.478 3.428 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001621107829 1193803175 /nfs/dbraw/zinc/80/31/75/1193803175.db2.gz ANGNFEPLHVXKCA-VNQPRFMTSA-N 2 1 323.278 3.187 20 0 DGADMP CN(CCC[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21)CC[NH+](C)C ZINC000344029939 282092414 /nfs/dbraw/zinc/09/24/14/282092414.db2.gz BCXMWVWUMHYVLP-GOSISDBHSA-N 2 1 323.912 3.143 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278385251 214132169 /nfs/dbraw/zinc/13/21/69/214132169.db2.gz LVNYYMBKHKQSBA-UHFFFAOYSA-N 2 1 302.403 3.088 20 0 DGADMP COCC[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414192999 230707454 /nfs/dbraw/zinc/70/74/54/230707454.db2.gz IBPLKOXJNMZHFQ-INIZCTEOSA-N 2 1 322.468 3.095 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000278479205 214180255 /nfs/dbraw/zinc/18/02/55/214180255.db2.gz KNRSKHPPTFDYMM-BPQIPLTHSA-N 2 1 304.503 3.240 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccccc32)CCCO1 ZINC000278566514 214242355 /nfs/dbraw/zinc/24/23/55/214242355.db2.gz PIWUTDIVYRTWPE-QFBILLFUSA-N 2 1 302.462 3.155 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000305788556 231056208 /nfs/dbraw/zinc/05/62/08/231056208.db2.gz SNPHDAZKXRDBFJ-HXUWFJFHSA-N 2 1 316.489 3.354 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015372 231109003 /nfs/dbraw/zinc/10/90/03/231109003.db2.gz NNKYQKTUAILJMF-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015372 231109006 /nfs/dbraw/zinc/10/90/06/231109006.db2.gz NNKYQKTUAILJMF-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015372 231109007 /nfs/dbraw/zinc/10/90/07/231109007.db2.gz NNKYQKTUAILJMF-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000310015372 231109010 /nfs/dbraw/zinc/10/90/10/231109010.db2.gz NNKYQKTUAILJMF-UXHICEINSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000310009535 231109488 /nfs/dbraw/zinc/10/94/88/231109488.db2.gz JMWUJWWJWUTKQN-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000310009535 231109492 /nfs/dbraw/zinc/10/94/92/231109492.db2.gz JMWUJWWJWUTKQN-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000310009535 231109496 /nfs/dbraw/zinc/10/94/96/231109496.db2.gz JMWUJWWJWUTKQN-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000082474924 185185461 /nfs/dbraw/zinc/18/54/61/185185461.db2.gz MVZDFDQOSMCSBB-VIFPVBQESA-N 2 1 303.269 3.070 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000278757635 214379807 /nfs/dbraw/zinc/37/98/07/214379807.db2.gz MLMJUOGMOJVMFW-UHFFFAOYSA-N 2 1 301.434 3.366 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000278757635 214379811 /nfs/dbraw/zinc/37/98/11/214379811.db2.gz MLMJUOGMOJVMFW-UHFFFAOYSA-N 2 1 301.434 3.366 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1C ZINC000297360805 529489635 /nfs/dbraw/zinc/48/96/35/529489635.db2.gz FSRZCYQEZJHTIS-SFHVURJKSA-N 2 1 302.462 3.369 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272840589 210237774 /nfs/dbraw/zinc/23/77/74/210237774.db2.gz RGDJBJZUWILEHI-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272837565 210236093 /nfs/dbraw/zinc/23/60/93/210236093.db2.gz QSKIJRFQRGGLRT-SCTDSRPQSA-N 2 1 318.505 3.284 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000317428712 529659346 /nfs/dbraw/zinc/65/93/46/529659346.db2.gz PFPFEIUZBFQXJG-SQNIBIBYSA-N 2 1 300.446 3.289 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432242574 529799897 /nfs/dbraw/zinc/79/98/97/529799897.db2.gz LVSYJGUNAVMYBA-UHFFFAOYSA-N 2 1 305.466 3.221 20 0 DGADMP CCOC1CC(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000286640733 219099094 /nfs/dbraw/zinc/09/90/94/219099094.db2.gz ZWURNZHCQJCBFY-XEVCZEQESA-N 2 1 316.489 3.255 20 0 DGADMP CCOC1CC(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000286640733 219099097 /nfs/dbraw/zinc/09/90/97/219099097.db2.gz ZWURNZHCQJCBFY-XEVCZEQESA-N 2 1 316.489 3.255 20 0 DGADMP CCOC1CC(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286640733 219099099 /nfs/dbraw/zinc/09/90/99/219099099.db2.gz ZWURNZHCQJCBFY-XEVCZEQESA-N 2 1 316.489 3.255 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000430120216 529802132 /nfs/dbraw/zinc/80/21/32/529802132.db2.gz GVMBOKBPILRLGQ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000430120216 529802134 /nfs/dbraw/zinc/80/21/34/529802134.db2.gz GVMBOKBPILRLGQ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000430120216 529802135 /nfs/dbraw/zinc/80/21/35/529802135.db2.gz GVMBOKBPILRLGQ-HXUWFJFHSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@@H+](CCC1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292623984 529878691 /nfs/dbraw/zinc/87/86/91/529878691.db2.gz NCUWBHFQMOXNTJ-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC1CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292623984 529878692 /nfs/dbraw/zinc/87/86/92/529878692.db2.gz NCUWBHFQMOXNTJ-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC1CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292623984 529878693 /nfs/dbraw/zinc/87/86/93/529878693.db2.gz NCUWBHFQMOXNTJ-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272777668 210179979 /nfs/dbraw/zinc/17/99/79/210179979.db2.gz NUARUFOTUQAZRP-INIZCTEOSA-N 2 1 303.381 3.224 20 0 DGADMP COCCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272769832 210173976 /nfs/dbraw/zinc/17/39/76/210173976.db2.gz MOTFJZNSCYOEFI-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP C[NH2+]C1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000430935506 529955997 /nfs/dbraw/zinc/95/59/97/529955997.db2.gz UKLGFMQGIJCEIS-UHFFFAOYSA-N 2 1 304.478 3.437 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000415117778 529964697 /nfs/dbraw/zinc/96/46/97/529964697.db2.gz CIDVKCJALSKPOW-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000415117778 529964699 /nfs/dbraw/zinc/96/46/99/529964699.db2.gz CIDVKCJALSKPOW-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430613256 529988329 /nfs/dbraw/zinc/98/83/29/529988329.db2.gz UWUHUQSDLFGVBB-ZDUSSCGKSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430613256 529988330 /nfs/dbraw/zinc/98/83/30/529988330.db2.gz UWUHUQSDLFGVBB-ZDUSSCGKSA-N 2 1 316.367 3.016 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430632558 529988335 /nfs/dbraw/zinc/98/83/35/529988335.db2.gz YRJANIYCGXNQES-LBPRGKRZSA-N 2 1 317.260 3.304 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430632558 529988338 /nfs/dbraw/zinc/98/83/38/529988338.db2.gz YRJANIYCGXNQES-LBPRGKRZSA-N 2 1 317.260 3.304 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923126 529999197 /nfs/dbraw/zinc/99/91/97/529999197.db2.gz PTLWKJYOVJCPTR-IBGZPJMESA-N 3 1 317.521 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923126 529999198 /nfs/dbraw/zinc/99/91/98/529999198.db2.gz PTLWKJYOVJCPTR-IBGZPJMESA-N 3 1 317.521 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923126 529999199 /nfs/dbraw/zinc/99/91/99/529999199.db2.gz PTLWKJYOVJCPTR-IBGZPJMESA-N 3 1 317.521 3.205 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923126 529999200 /nfs/dbraw/zinc/99/92/00/529999200.db2.gz PTLWKJYOVJCPTR-IBGZPJMESA-N 2 1 317.521 3.205 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923126 529999201 /nfs/dbraw/zinc/99/92/01/529999201.db2.gz PTLWKJYOVJCPTR-IBGZPJMESA-N 2 1 317.521 3.205 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(N2CCCC2)c1 ZINC000181893033 199364710 /nfs/dbraw/zinc/36/47/10/199364710.db2.gz SFSUDRGOAISIPZ-WMZOPIPTSA-N 2 1 301.478 3.422 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278899870 282514421 /nfs/dbraw/zinc/51/44/21/282514421.db2.gz FQSBWDKFIFTGDG-LRDDRELGSA-N 2 1 301.821 3.376 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261564707 290218049 /nfs/dbraw/zinc/21/80/49/290218049.db2.gz HKBQNYJRFUQZJW-WCUVEOEZSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287067572 219294971 /nfs/dbraw/zinc/29/49/71/219294971.db2.gz NWRIQPJZQAYCEH-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000066961901 432024813 /nfs/dbraw/zinc/02/48/13/432024813.db2.gz SFVCSWZVXWRWDU-AWEZNQCLSA-N 2 1 320.481 3.452 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000066961901 432024816 /nfs/dbraw/zinc/02/48/16/432024816.db2.gz SFVCSWZVXWRWDU-AWEZNQCLSA-N 2 1 320.481 3.452 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000188013905 186243749 /nfs/dbraw/zinc/24/37/49/186243749.db2.gz WEWBVODVEWGXES-YJLNNSPDSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744352 186375287 /nfs/dbraw/zinc/37/52/87/186375287.db2.gz REFTYZCQLIMVBX-UYAOXDASSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268760038 186381668 /nfs/dbraw/zinc/38/16/68/186381668.db2.gz ZLHBVQBZAINLHY-XLIONFOSSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268760038 186381669 /nfs/dbraw/zinc/38/16/69/186381669.db2.gz ZLHBVQBZAINLHY-XLIONFOSSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000269569398 186387982 /nfs/dbraw/zinc/38/79/82/186387982.db2.gz AJSQJWOCRHUHPQ-ZDUSSCGKSA-N 2 1 318.490 3.013 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000269569398 186387985 /nfs/dbraw/zinc/38/79/85/186387985.db2.gz AJSQJWOCRHUHPQ-ZDUSSCGKSA-N 2 1 318.490 3.013 20 0 DGADMP c1ccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000172577552 198117859 /nfs/dbraw/zinc/11/78/59/198117859.db2.gz JVRMGDJHBKADRN-SFHVURJKSA-N 2 1 302.462 3.406 20 0 DGADMP c1cn(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)cn1 ZINC000072718459 191220358 /nfs/dbraw/zinc/22/03/58/191220358.db2.gz UGTBCXGOJRCLAI-LJQANCHMSA-N 2 1 324.472 3.180 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-n2ccnc2)cc1 ZINC000072725170 191223342 /nfs/dbraw/zinc/22/33/42/191223342.db2.gz FCQBDDYHCCNDDI-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-n2ccnc2)cc1 ZINC000072725170 191223345 /nfs/dbraw/zinc/22/33/45/191223345.db2.gz FCQBDDYHCCNDDI-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(-n2ccnc2)cc1 ZINC000072725170 191223348 /nfs/dbraw/zinc/22/33/48/191223348.db2.gz FCQBDDYHCCNDDI-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858191 191240298 /nfs/dbraw/zinc/24/02/98/191240298.db2.gz YULDDVIUAHLAQW-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858191 191240301 /nfs/dbraw/zinc/24/03/01/191240301.db2.gz YULDDVIUAHLAQW-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858191 191240304 /nfs/dbraw/zinc/24/03/04/191240304.db2.gz YULDDVIUAHLAQW-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072858191 191240307 /nfs/dbraw/zinc/24/03/07/191240307.db2.gz YULDDVIUAHLAQW-AWEZNQCLSA-N 2 1 316.367 3.359 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182061099 199381071 /nfs/dbraw/zinc/38/10/71/199381071.db2.gz AQALAOVSMVMTNV-CXAGYDPISA-N 2 1 317.408 3.470 20 0 DGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000174350391 198323769 /nfs/dbraw/zinc/32/37/69/198323769.db2.gz OSKJIOZFABDUQA-LBPRGKRZSA-N 2 1 307.825 3.279 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277081006 213281260 /nfs/dbraw/zinc/28/12/60/213281260.db2.gz FGLXIKISXZDOHO-GOSISDBHSA-N 2 1 318.461 3.168 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277081006 213281262 /nfs/dbraw/zinc/28/12/62/213281262.db2.gz FGLXIKISXZDOHO-GOSISDBHSA-N 2 1 318.461 3.168 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)[C@H](C)C1 ZINC000131692606 432036604 /nfs/dbraw/zinc/03/66/04/432036604.db2.gz JVGQLPXZENKNFX-VQIMIIECSA-N 2 1 322.468 3.095 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1ccc(Br)s1 ZINC000163630529 432038657 /nfs/dbraw/zinc/03/86/57/432038657.db2.gz ICIRDPVDXVJDJD-UHFFFAOYSA-N 2 1 305.285 3.331 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Br)s1 ZINC000163630529 432038661 /nfs/dbraw/zinc/03/86/61/432038661.db2.gz ICIRDPVDXVJDJD-UHFFFAOYSA-N 2 1 305.285 3.331 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Br)s1 ZINC000163630529 432038666 /nfs/dbraw/zinc/03/86/66/432038666.db2.gz ICIRDPVDXVJDJD-UHFFFAOYSA-N 2 1 305.285 3.331 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000163654531 432040418 /nfs/dbraw/zinc/04/04/18/432040418.db2.gz BJZBZRBZYJKFKM-TXPKVOOTSA-N 2 1 304.478 3.432 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1C ZINC000067817800 432043117 /nfs/dbraw/zinc/04/31/17/432043117.db2.gz UJRMMUGWESZFGJ-UHFFFAOYSA-N 2 1 306.498 3.120 20 0 DGADMP Cc1nc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)o2)cs1 ZINC000164421375 432048022 /nfs/dbraw/zinc/04/80/22/432048022.db2.gz ZTMUZTMHVFBSCH-SMDDNHRTSA-N 2 1 305.447 3.141 20 0 DGADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)o2)cs1 ZINC000164421375 432048024 /nfs/dbraw/zinc/04/80/24/432048024.db2.gz ZTMUZTMHVFBSCH-SMDDNHRTSA-N 2 1 305.447 3.141 20 0 DGADMP CCN(CC)c1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000080145505 192005096 /nfs/dbraw/zinc/00/50/96/192005096.db2.gz PPEKVDNBACNVHL-OAHLLOKOSA-N 2 1 324.538 3.201 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CCCO2 ZINC000165273107 432054311 /nfs/dbraw/zinc/05/43/11/432054311.db2.gz JAVCKBNUCGIVAN-YJBOKZPZSA-N 2 1 318.461 3.230 20 0 DGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133310981 432060128 /nfs/dbraw/zinc/06/01/28/432060128.db2.gz DYJKSFZDFJSNSY-USXIJHARSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@@H]1C[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442868989 297284117 /nfs/dbraw/zinc/28/41/17/297284117.db2.gz AGDUCCATOWDSLX-MSOLQXFVSA-N 2 1 307.526 3.105 20 0 DGADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236925479 202075325 /nfs/dbraw/zinc/07/53/25/202075325.db2.gz YJOSTOLVZAJZFD-MPGHIAIKSA-N 2 1 317.477 3.373 20 0 DGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1 ZINC000344145628 283260599 /nfs/dbraw/zinc/26/05/99/283260599.db2.gz PGGJMJNFLYKFKK-SFHVURJKSA-N 2 1 303.494 3.097 20 0 DGADMP CCc1ccc([C@H](CN[C@H]2CC[N@H+](CC)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133834316 432070643 /nfs/dbraw/zinc/07/06/43/432070643.db2.gz HNOQRKSOQYFQRH-VDGAXYAQSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000133834316 432070645 /nfs/dbraw/zinc/07/06/45/432070645.db2.gz HNOQRKSOQYFQRH-VDGAXYAQSA-N 2 1 317.521 3.172 20 0 DGADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000133834316 432070646 /nfs/dbraw/zinc/07/06/46/432070646.db2.gz HNOQRKSOQYFQRH-VDGAXYAQSA-N 2 1 317.521 3.172 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000276738507 213078427 /nfs/dbraw/zinc/07/84/27/213078427.db2.gz YURUUHFYFWVCNL-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000462113478 283320811 /nfs/dbraw/zinc/32/08/11/283320811.db2.gz WWLJFDXFCBWKOD-IEBWSBKVSA-N 3 1 309.542 3.351 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC000237320943 202229824 /nfs/dbraw/zinc/22/98/24/202229824.db2.gz CMHCCHOSUUASGA-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)CC[N@H+]1C ZINC000180804117 199210923 /nfs/dbraw/zinc/21/09/23/199210923.db2.gz HWWCCUUEJINWPI-DOTOQJQBSA-N 2 1 313.445 3.076 20 0 DGADMP CC(C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180143670 432078943 /nfs/dbraw/zinc/07/89/43/432078943.db2.gz AGSYAWVKIMNDNN-NXEWRWPSSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000415062223 237044488 /nfs/dbraw/zinc/04/44/88/237044488.db2.gz DXAXFJNAKMIZKD-QAPCUYQASA-N 2 1 317.477 3.128 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 ZINC000415064417 237047170 /nfs/dbraw/zinc/04/71/70/237047170.db2.gz KODGURXSYYJIMA-ZDUSSCGKSA-N 2 1 302.340 3.034 20 0 DGADMP Clc1cccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)c1 ZINC000415035345 237021601 /nfs/dbraw/zinc/02/16/01/237021601.db2.gz KNLLOXYWDRRTFQ-FOLVSLTJSA-N 2 1 304.846 3.376 20 0 DGADMP CCn1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033388 237023608 /nfs/dbraw/zinc/02/36/08/237023608.db2.gz BRKORLCQGJWXDT-MAUKXSAKSA-N 2 1 312.461 3.020 20 0 DGADMP CCn1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033388 237023617 /nfs/dbraw/zinc/02/36/17/237023617.db2.gz BRKORLCQGJWXDT-MAUKXSAKSA-N 2 1 312.461 3.020 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415039648 237025289 /nfs/dbraw/zinc/02/52/89/237025289.db2.gz JJUQZIMMWLDRKY-ZBFHGGJFSA-N 2 1 310.388 3.252 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC[NH2+]2)cc1 ZINC000415090889 237071521 /nfs/dbraw/zinc/07/15/21/237071521.db2.gz PPQALKIQVDTLHP-IEWDOMPSSA-N 2 1 300.446 3.027 20 0 DGADMP c1ccc(C[NH+]2CCCCCC2)c(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000415112062 237087760 /nfs/dbraw/zinc/08/77/60/237087760.db2.gz CRSMPEFEGKGVPR-SFHVURJKSA-N 2 1 315.505 3.152 20 0 DGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000187190739 200074290 /nfs/dbraw/zinc/07/42/90/200074290.db2.gz TWQCFZRXVFRMQL-UXHICEINSA-N 2 1 318.505 3.080 20 0 DGADMP c1ccc(OCCCCC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000187658831 200140797 /nfs/dbraw/zinc/14/07/97/200140797.db2.gz KHNXUADMFJSFCE-QGZVFWFLSA-N 2 1 302.462 3.310 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000237526399 202272266 /nfs/dbraw/zinc/27/22/66/202272266.db2.gz OGFOEHWEFCWRDL-HNNXBMFYSA-N 2 1 315.461 3.271 20 0 DGADMP c1ccc(SC[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420307603 237695236 /nfs/dbraw/zinc/69/52/36/237695236.db2.gz RNMKXIFMYGUGMC-SJORKVTESA-N 2 1 304.503 3.490 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423047083 237820214 /nfs/dbraw/zinc/82/02/14/237820214.db2.gz USFRYRANDWEKEW-LALPHHSUSA-N 2 1 300.368 3.367 20 0 DGADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccc2s1 ZINC000423120305 237825654 /nfs/dbraw/zinc/82/56/54/237825654.db2.gz GBJQUNGBDHKJTB-BRWVUGGUSA-N 2 1 316.470 3.148 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000429570598 238055490 /nfs/dbraw/zinc/05/54/90/238055490.db2.gz PBCWKSPTNHQXHY-NSHDSACASA-N 2 1 303.431 3.082 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430606463 238081615 /nfs/dbraw/zinc/08/16/15/238081615.db2.gz VUTYZTJHAJQKSP-KRWDZBQOSA-N 2 1 323.440 3.110 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430606463 238081616 /nfs/dbraw/zinc/08/16/16/238081616.db2.gz VUTYZTJHAJQKSP-KRWDZBQOSA-N 2 1 323.440 3.110 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430969700 238091456 /nfs/dbraw/zinc/09/14/56/238091456.db2.gz DRSJSATVDKGDTN-BEFAXECRSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430969700 238091457 /nfs/dbraw/zinc/09/14/57/238091457.db2.gz DRSJSATVDKGDTN-BEFAXECRSA-N 2 1 323.440 3.108 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCO1 ZINC000432369175 238126363 /nfs/dbraw/zinc/12/63/63/238126363.db2.gz UHJVTAABKPNIOZ-ILXRZTDVSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCO1 ZINC000432369175 238126364 /nfs/dbraw/zinc/12/63/64/238126364.db2.gz UHJVTAABKPNIOZ-ILXRZTDVSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433333852 238156245 /nfs/dbraw/zinc/15/62/45/238156245.db2.gz FTMOSIYYGCCRPL-HNNXBMFYSA-N 2 1 316.449 3.414 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2F)CC1 ZINC000271916152 209320153 /nfs/dbraw/zinc/32/01/53/209320153.db2.gz YUYQZFZEBJUKLT-RDTXWAMCSA-N 2 1 308.441 3.366 20 0 DGADMP Cc1ccc(COc2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000435382416 238297324 /nfs/dbraw/zinc/29/73/24/238297324.db2.gz CYRSJQPGZDYYAZ-LJQANCHMSA-N 2 1 310.441 3.355 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCO ZINC000271873195 209286709 /nfs/dbraw/zinc/28/67/09/209286709.db2.gz NFYOAWIDELCRRC-HKUYNNGSSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCCO ZINC000271873195 209286711 /nfs/dbraw/zinc/28/67/11/209286711.db2.gz NFYOAWIDELCRRC-HKUYNNGSSA-N 2 1 304.478 3.039 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC000193990032 201157973 /nfs/dbraw/zinc/15/79/73/201157973.db2.gz YDXSGSPZJPUJQY-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC000193990032 201157977 /nfs/dbraw/zinc/15/79/77/201157977.db2.gz YDXSGSPZJPUJQY-PBHICJAKSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccc(OCCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441360956 239041176 /nfs/dbraw/zinc/04/11/76/239041176.db2.gz STKMZIBIQXFKSD-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP COc1ccc(OCCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441360956 239041183 /nfs/dbraw/zinc/04/11/83/239041183.db2.gz STKMZIBIQXFKSD-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP COc1ccc(OCCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441360956 239041186 /nfs/dbraw/zinc/04/11/86/239041186.db2.gz STKMZIBIQXFKSD-KRWDZBQOSA-N 2 1 320.477 3.270 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000442785775 239123493 /nfs/dbraw/zinc/12/34/93/239123493.db2.gz YHMAXGLQSBUGLK-JKSUJKDBSA-N 2 1 320.440 3.170 20 0 DGADMP Cc1cc(C)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000442874867 239142874 /nfs/dbraw/zinc/14/28/74/239142874.db2.gz MTZVWTRVSLEVNS-SFHVURJKSA-N 2 1 317.521 3.288 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000442933026 239154904 /nfs/dbraw/zinc/15/49/04/239154904.db2.gz ZJKHOPHGBKJMIC-ZDUSSCGKSA-N 2 1 318.852 3.291 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000443079345 239173147 /nfs/dbraw/zinc/17/31/47/239173147.db2.gz ZDQZKPJQJAXQAC-ZDUSSCGKSA-N 2 1 303.381 3.042 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064854 239170630 /nfs/dbraw/zinc/17/06/30/239170630.db2.gz YZOMKZLVNNQXPE-ZIAGYGMSSA-N 2 1 323.868 3.036 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000443070965 239170881 /nfs/dbraw/zinc/17/08/81/239170881.db2.gz LXZKODYUGFAHIY-LBPRGKRZSA-N 2 1 321.371 3.181 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000271844196 209260779 /nfs/dbraw/zinc/26/07/79/209260779.db2.gz HMIJZOZZBKWUFQ-LBPRGKRZSA-N 2 1 314.351 3.498 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000271829549 209250042 /nfs/dbraw/zinc/25/00/42/209250042.db2.gz OLYXVVSXKGVHNY-UHFFFAOYSA-N 2 1 323.440 3.012 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](NCc2cccc(C)c2F)[C@@H](C)C1 ZINC000449138860 240034147 /nfs/dbraw/zinc/03/41/47/240034147.db2.gz JGMCXDYQNFBGCS-WMZOPIPTSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449138860 240034150 /nfs/dbraw/zinc/03/41/50/240034150.db2.gz JGMCXDYQNFBGCS-WMZOPIPTSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449138860 240034155 /nfs/dbraw/zinc/03/41/55/240034155.db2.gz JGMCXDYQNFBGCS-WMZOPIPTSA-N 2 1 322.468 3.361 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000449166911 240049101 /nfs/dbraw/zinc/04/91/01/240049101.db2.gz GZFZSSKZEQZKEJ-NZSAHSFTSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000449166911 240049106 /nfs/dbraw/zinc/04/91/06/240049106.db2.gz GZFZSSKZEQZKEJ-NZSAHSFTSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449166912 240049619 /nfs/dbraw/zinc/04/96/19/240049619.db2.gz GZFZSSKZEQZKEJ-QRQLOZEOSA-N 2 1 318.505 3.284 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449166912 240049624 /nfs/dbraw/zinc/04/96/24/240049624.db2.gz GZFZSSKZEQZKEJ-QRQLOZEOSA-N 2 1 318.505 3.284 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CCC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000449228183 240079719 /nfs/dbraw/zinc/07/97/19/240079719.db2.gz XUKFLSHSUROAPY-INIZCTEOSA-N 2 1 302.466 3.231 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000449300501 240119289 /nfs/dbraw/zinc/11/92/89/240119289.db2.gz OWIMLIBYWVSGMN-WMZOPIPTSA-N 2 1 306.494 3.475 20 0 DGADMP CC1(F)CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000449377746 240163855 /nfs/dbraw/zinc/16/38/55/240163855.db2.gz UGLOFPXROZREMA-XCPPUQJOSA-N 2 1 302.437 3.377 20 0 DGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000449325655 240132547 /nfs/dbraw/zinc/13/25/47/240132547.db2.gz OMOASTRBLLPJPX-QGZVFWFLSA-N 2 1 313.445 3.444 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000449484859 240234893 /nfs/dbraw/zinc/23/48/93/240234893.db2.gz JSJURHSRUQNZEJ-WBMJQRKESA-N 2 1 314.832 3.178 20 0 DGADMP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449559356 240286656 /nfs/dbraw/zinc/28/66/56/240286656.db2.gz ZKVQBJKDDGRIHU-KBPBESRZSA-N 2 1 307.507 3.291 20 0 DGADMP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449559356 240286663 /nfs/dbraw/zinc/28/66/63/240286663.db2.gz ZKVQBJKDDGRIHU-KBPBESRZSA-N 2 1 307.507 3.291 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560734 240289845 /nfs/dbraw/zinc/28/98/45/240289845.db2.gz OZTFSTOARARUPA-VQTPCSAVSA-N 2 1 322.493 3.103 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)cc1 ZINC000091336493 193043601 /nfs/dbraw/zinc/04/36/01/193043601.db2.gz XKFIKHHCYPFVDO-WOJBJXKFSA-N 2 1 316.489 3.273 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000246204378 432107836 /nfs/dbraw/zinc/10/78/36/432107836.db2.gz MAIQQZLFGWPACR-GUDVDZBRSA-N 2 1 309.542 3.209 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000104083729 284034382 /nfs/dbraw/zinc/03/43/82/284034382.db2.gz ICPJXMHGKUNCEC-UHFFFAOYSA-N 2 1 316.367 3.359 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000275117956 212130756 /nfs/dbraw/zinc/13/07/56/212130756.db2.gz JUYDNWKSVWMFJV-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000275117956 212130758 /nfs/dbraw/zinc/13/07/58/212130758.db2.gz JUYDNWKSVWMFJV-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000469080588 244082430 /nfs/dbraw/zinc/08/24/30/244082430.db2.gz PZATWEPYTBJLMQ-GBESFXJTSA-N 2 1 309.542 3.207 20 0 DGADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874478 296135503 /nfs/dbraw/zinc/13/55/03/296135503.db2.gz DASOZPGIIAUGDR-SQGPQFPESA-N 2 1 315.505 3.291 20 0 DGADMP Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396757 284120747 /nfs/dbraw/zinc/12/07/47/284120747.db2.gz LHFJQWQYIMKNBM-NVXWUHKLSA-N 2 1 319.493 3.278 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000469866856 244129383 /nfs/dbraw/zinc/12/93/83/244129383.db2.gz OUWGMMIUUNSDOG-FUHWJXTLSA-N 2 1 310.441 3.435 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc2c1 ZINC000093089386 193203205 /nfs/dbraw/zinc/20/32/05/193203205.db2.gz SPDOGEPESYAIDE-UHFFFAOYSA-N 2 1 302.418 3.215 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000471836059 244256315 /nfs/dbraw/zinc/25/63/15/244256315.db2.gz IFQPMFRDKLTMKF-PMACEKPBSA-N 2 1 309.457 3.254 20 0 DGADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471839958 244257699 /nfs/dbraw/zinc/25/76/99/244257699.db2.gz QSUFUSRCCZKLIM-WOJBJXKFSA-N 2 1 318.505 3.475 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000472289690 244296220 /nfs/dbraw/zinc/29/62/20/244296220.db2.gz DANNTOHGXWTXPG-KRWDZBQOSA-N 2 1 324.896 3.315 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000093659937 193284394 /nfs/dbraw/zinc/28/43/94/193284394.db2.gz MZEDLNHIGZWQRY-MRXNPFEDSA-N 2 1 316.449 3.284 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000093659937 193284396 /nfs/dbraw/zinc/28/43/96/193284396.db2.gz MZEDLNHIGZWQRY-MRXNPFEDSA-N 2 1 316.449 3.284 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000093659937 193284398 /nfs/dbraw/zinc/28/43/98/193284398.db2.gz MZEDLNHIGZWQRY-MRXNPFEDSA-N 2 1 316.449 3.284 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@H]2CCCC[N@H+]2C)o1 ZINC000093659937 193284400 /nfs/dbraw/zinc/28/44/00/193284400.db2.gz MZEDLNHIGZWQRY-MRXNPFEDSA-N 2 1 316.449 3.284 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093993409 193336307 /nfs/dbraw/zinc/33/63/07/193336307.db2.gz UVGZFDRSMAIZCQ-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1cc(Br)ccc1F)CC1CC[NH2+]CC1 ZINC000094010646 193338289 /nfs/dbraw/zinc/33/82/89/193338289.db2.gz FDEPNXXMKFIURX-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000094073007 193343218 /nfs/dbraw/zinc/34/32/18/193343218.db2.gz MALSXDBRLFHRJB-UHFFFAOYSA-N 2 1 317.260 3.323 20 0 DGADMP COc1cccc([C@H](CNc2cc[nH+]cc2Cl)[NH+](C)C)c1 ZINC000094195503 193348406 /nfs/dbraw/zinc/34/84/06/193348406.db2.gz YMMKFNLEMATLJG-INIZCTEOSA-N 2 1 305.809 3.458 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000121450473 284197525 /nfs/dbraw/zinc/19/75/25/284197525.db2.gz KGQLYYQQNNYMID-LJHODMEESA-N 2 1 302.462 3.089 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000121450473 284197527 /nfs/dbraw/zinc/19/75/27/284197527.db2.gz KGQLYYQQNNYMID-LJHODMEESA-N 2 1 302.462 3.089 20 0 DGADMP C[C@H]1C[C@H](NCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331333 284217566 /nfs/dbraw/zinc/21/75/66/284217566.db2.gz MHXZRMMLDCLNMG-FZMZJTMJSA-N 2 1 309.251 3.164 20 0 DGADMP C[C@H]1C[C@H](NCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331333 284217567 /nfs/dbraw/zinc/21/75/67/284217567.db2.gz MHXZRMMLDCLNMG-FZMZJTMJSA-N 2 1 309.251 3.164 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1C ZINC000246340401 432122338 /nfs/dbraw/zinc/12/23/38/432122338.db2.gz GWIYKNGTMMHJPG-KZNAEPCWSA-N 2 1 304.478 3.472 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccccc2Cl)CC1 ZINC000264735888 204114139 /nfs/dbraw/zinc/11/41/39/204114139.db2.gz SJRSAVGCXCRYDM-QGZVFWFLSA-N 2 1 310.869 3.180 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccccc2Cl)CC1 ZINC000264735888 204114140 /nfs/dbraw/zinc/11/41/40/204114140.db2.gz SJRSAVGCXCRYDM-QGZVFWFLSA-N 2 1 310.869 3.180 20 0 DGADMP COCC[N@@H+](CCCCn1ccnc1C)Cc1ccccc1 ZINC000125446724 284276192 /nfs/dbraw/zinc/27/61/92/284276192.db2.gz PHBZZBXIRNACSY-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000125446724 284276195 /nfs/dbraw/zinc/27/61/95/284276195.db2.gz PHBZZBXIRNACSY-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000125446724 284276197 /nfs/dbraw/zinc/27/61/97/284276197.db2.gz PHBZZBXIRNACSY-UHFFFAOYSA-N 2 1 301.434 3.120 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000125528000 284278108 /nfs/dbraw/zinc/27/81/08/284278108.db2.gz CLAAQWRLYVESHC-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000125528000 284278112 /nfs/dbraw/zinc/27/81/12/284278112.db2.gz CLAAQWRLYVESHC-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000125528000 284278115 /nfs/dbraw/zinc/27/81/15/284278115.db2.gz CLAAQWRLYVESHC-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482437 217028968 /nfs/dbraw/zinc/02/89/68/217028968.db2.gz LUWJLZXKCIMHLW-IAGOWNOFSA-N 2 1 310.869 3.444 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482437 217028970 /nfs/dbraw/zinc/02/89/70/217028970.db2.gz LUWJLZXKCIMHLW-IAGOWNOFSA-N 2 1 310.869 3.444 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126289362 284299740 /nfs/dbraw/zinc/29/97/40/284299740.db2.gz CZBLZRLRRMRJKC-OAHLLOKOSA-N 3 1 312.461 3.173 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246387899 432125443 /nfs/dbraw/zinc/12/54/43/432125443.db2.gz KOMJRMRGGZWUNG-RLFYNMQTSA-N 2 1 304.478 3.291 20 0 DGADMP Fc1ccc2[nH]cc(CCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000282704925 217190105 /nfs/dbraw/zinc/19/01/05/217190105.db2.gz LBKQDVWWFLOPEF-DLBZAZTESA-N 2 1 315.436 3.456 20 0 DGADMP CC[NH+]1CCC([NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000271715003 209151286 /nfs/dbraw/zinc/15/12/86/209151286.db2.gz OZMNMANECVVTCF-UHFFFAOYSA-N 2 1 316.367 3.158 20 0 DGADMP c1csc(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000266127253 205120784 /nfs/dbraw/zinc/12/07/84/205120784.db2.gz BYOFELVEOVOHPE-UHFFFAOYSA-N 2 1 315.486 3.330 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282956523 217350837 /nfs/dbraw/zinc/35/08/37/217350837.db2.gz KCEYVMZTVYFLOX-JQHSSLGASA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282956523 217350838 /nfs/dbraw/zinc/35/08/38/217350838.db2.gz KCEYVMZTVYFLOX-JQHSSLGASA-N 2 1 302.462 3.054 20 0 DGADMP Brc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020128691 182190345 /nfs/dbraw/zinc/19/03/45/182190345.db2.gz YAXWDIOSTLINRA-UHFFFAOYSA-N 2 1 311.267 3.415 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCC(C)CC1 ZINC000493953687 246101432 /nfs/dbraw/zinc/10/14/32/246101432.db2.gz WEKYLLYOHYIRBA-AKHDSKFASA-N 2 1 320.521 3.290 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000494514703 246158580 /nfs/dbraw/zinc/15/85/80/246158580.db2.gz OMNIEKMDHVYPSF-SOLBZPMBSA-N 2 1 304.478 3.391 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267453790 206079283 /nfs/dbraw/zinc/07/92/83/206079283.db2.gz SFQGFWFLMSYPFH-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267453790 206079287 /nfs/dbraw/zinc/07/92/87/206079287.db2.gz SFQGFWFLMSYPFH-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453790 206079291 /nfs/dbraw/zinc/07/92/91/206079291.db2.gz SFQGFWFLMSYPFH-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC000267453790 206079295 /nfs/dbraw/zinc/07/92/95/206079295.db2.gz SFQGFWFLMSYPFH-AEFFLSMTSA-N 2 1 304.478 3.132 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000268791642 432134608 /nfs/dbraw/zinc/13/46/08/432134608.db2.gz GNXARJRKEWEKRF-YQQAZPJKSA-N 2 1 302.462 3.045 20 0 DGADMP COc1ccc2cc(CN3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)ccc2c1 ZINC000495126495 246237645 /nfs/dbraw/zinc/23/76/45/246237645.db2.gz HWHKKYDTXWOUBQ-JXFKEZNVSA-N 2 1 310.441 3.374 20 0 DGADMP COC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000496220410 246367633 /nfs/dbraw/zinc/36/76/33/246367633.db2.gz XQOKSLGMHTUJHW-SJORKVTESA-N 2 1 311.385 3.099 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000268796931 432136725 /nfs/dbraw/zinc/13/67/25/432136725.db2.gz IAAVLSFPWPIBBY-NSHDSACASA-N 2 1 313.323 3.441 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268802655 432137102 /nfs/dbraw/zinc/13/71/02/432137102.db2.gz JTOGVIFZXGYTRL-NVXWUHKLSA-N 2 1 315.486 3.328 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000268795489 432137469 /nfs/dbraw/zinc/13/74/69/432137469.db2.gz HUQDWNYZBDMUNQ-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000246505354 432137731 /nfs/dbraw/zinc/13/77/31/432137731.db2.gz SUXIYMYMISCGMX-DLTLXFJOSA-N 2 1 310.869 3.346 20 0 DGADMP Cc1oncc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000181676772 432142457 /nfs/dbraw/zinc/14/24/57/432142457.db2.gz SHPOFXPMFHNSAY-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP CCc1ccc([C@@H](CC)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268825516 432142912 /nfs/dbraw/zinc/14/29/12/432142912.db2.gz JBCNWBMFZWGULT-LJQANCHMSA-N 2 1 304.478 3.137 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000268833336 432145294 /nfs/dbraw/zinc/14/52/94/432145294.db2.gz SUYOAQCVLNGJJP-OAHLLOKOSA-N 2 1 305.809 3.348 20 0 DGADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000268887155 432146804 /nfs/dbraw/zinc/14/68/04/432146804.db2.gz NZXZVCUECVIKCI-AOIWGVFYSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000268887155 432146812 /nfs/dbraw/zinc/14/68/12/432146812.db2.gz NZXZVCUECVIKCI-AOIWGVFYSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000042300303 183251514 /nfs/dbraw/zinc/25/15/14/183251514.db2.gz PZWHNBXTRHIGHN-XUJVJEKNSA-N 2 1 311.267 3.267 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000269001195 432150276 /nfs/dbraw/zinc/15/02/76/432150276.db2.gz LPMBJZCIKWDWRD-AWEZNQCLSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000268860304 207029791 /nfs/dbraw/zinc/02/97/91/207029791.db2.gz DMIREXWXFNVNFL-RHSMWYFYSA-N 2 1 310.869 3.228 20 0 DGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000268922997 207088842 /nfs/dbraw/zinc/08/88/42/207088842.db2.gz XFLOQQURFZBJKB-YJBOKZPZSA-N 2 1 302.462 3.393 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269025210 207175234 /nfs/dbraw/zinc/17/52/34/207175234.db2.gz RIVHCRDRGXVKFK-LEAZDLGRSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269025210 207175241 /nfs/dbraw/zinc/17/52/41/207175241.db2.gz RIVHCRDRGXVKFK-LEAZDLGRSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000269040434 207189270 /nfs/dbraw/zinc/18/92/70/207189270.db2.gz GKPMFJQSTACVQH-AUSJPIAWSA-N 2 1 324.472 3.314 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000063166147 184275383 /nfs/dbraw/zinc/27/53/83/184275383.db2.gz CKSJMMHBOKOISH-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000248826273 285028751 /nfs/dbraw/zinc/02/87/51/285028751.db2.gz CXQMGNCRDJIITG-YSDSKTICSA-N 2 1 316.489 3.158 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000249499903 285076722 /nfs/dbraw/zinc/07/67/22/285076722.db2.gz WYRDMHOCTBHXNW-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP COC1CC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309982331 533031348 /nfs/dbraw/zinc/03/13/48/533031348.db2.gz VUIXMZRBFVPKHS-LMDPOFIKSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000249499904 285076658 /nfs/dbraw/zinc/07/66/58/285076658.db2.gz WYRDMHOCTBHXNW-KVPLUYHFSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc2cccnc21 ZINC000337270036 253074679 /nfs/dbraw/zinc/07/46/79/253074679.db2.gz MKNZOJAPZYHQTJ-UHFFFAOYSA-N 2 1 301.409 3.292 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc2cccnc21 ZINC000337270036 253074682 /nfs/dbraw/zinc/07/46/82/253074682.db2.gz MKNZOJAPZYHQTJ-UHFFFAOYSA-N 2 1 301.409 3.292 20 0 DGADMP CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435378693 285092534 /nfs/dbraw/zinc/09/25/34/285092534.db2.gz FTJBNYMUFJCSNA-MRXNPFEDSA-N 2 1 306.498 3.219 20 0 DGADMP CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435378693 285092536 /nfs/dbraw/zinc/09/25/36/285092536.db2.gz FTJBNYMUFJCSNA-MRXNPFEDSA-N 2 1 306.498 3.219 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337659310 253155131 /nfs/dbraw/zinc/15/51/31/253155131.db2.gz POHXBKPYLAGISX-HKUYNNGSSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337659310 253155133 /nfs/dbraw/zinc/15/51/33/253155133.db2.gz POHXBKPYLAGISX-HKUYNNGSSA-N 2 1 324.472 3.206 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000337952691 253199111 /nfs/dbraw/zinc/19/91/11/253199111.db2.gz UDFCIGRRBFCWBF-UHFFFAOYSA-N 2 1 304.394 3.120 20 0 DGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000337995488 253206088 /nfs/dbraw/zinc/20/60/88/253206088.db2.gz NFEKYLHQERBVEU-VQTJNVASSA-N 2 1 314.473 3.187 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338197752 253240999 /nfs/dbraw/zinc/24/09/99/253240999.db2.gz MVCBBZSKAWEBRN-HXUWFJFHSA-N 2 1 324.472 3.224 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338200042 253241560 /nfs/dbraw/zinc/24/15/60/253241560.db2.gz YACXJXIOPFMMEX-XUVXKRRUSA-N 2 1 324.472 3.223 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000252696188 285104281 /nfs/dbraw/zinc/10/42/81/285104281.db2.gz MZJXUBPVKIODGS-UONOGXRCSA-N 2 1 309.523 3.303 20 0 DGADMP CC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CC)C3)COC2)C1 ZINC000252736096 285104831 /nfs/dbraw/zinc/10/48/31/285104831.db2.gz SLIPEAQSLIJGTR-QZTJIDSGSA-N 2 1 308.510 3.247 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000338275441 253253807 /nfs/dbraw/zinc/25/38/07/253253807.db2.gz IQONPFCDWYRZDO-LJQANCHMSA-N 2 1 304.478 3.090 20 0 DGADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000338284725 253257674 /nfs/dbraw/zinc/25/76/74/253257674.db2.gz IVBIYUHUQCPSNO-UHFFFAOYSA-N 2 1 306.450 3.097 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000338284725 253257676 /nfs/dbraw/zinc/25/76/76/253257676.db2.gz IVBIYUHUQCPSNO-UHFFFAOYSA-N 2 1 306.450 3.097 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000338432478 253286288 /nfs/dbraw/zinc/28/62/88/253286288.db2.gz WRJHHXZEBBCJER-OALUTQOASA-N 2 1 324.472 3.112 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327178 253265941 /nfs/dbraw/zinc/26/59/41/253265941.db2.gz LSODAXMHESFICX-SFHVURJKSA-N 2 1 304.478 3.303 20 0 DGADMP CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327178 253265943 /nfs/dbraw/zinc/26/59/43/253265943.db2.gz LSODAXMHESFICX-SFHVURJKSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650553 197292109 /nfs/dbraw/zinc/29/21/09/197292109.db2.gz HUEMPQCEHJLWSJ-ZBFHGGJFSA-N 2 1 308.466 3.334 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650553 197292111 /nfs/dbraw/zinc/29/21/11/197292111.db2.gz HUEMPQCEHJLWSJ-ZBFHGGJFSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650553 197292112 /nfs/dbraw/zinc/29/21/12/197292112.db2.gz HUEMPQCEHJLWSJ-ZBFHGGJFSA-N 2 1 308.466 3.334 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccccc3F)CC[C@@H]21 ZINC000158650553 197292114 /nfs/dbraw/zinc/29/21/14/197292114.db2.gz HUEMPQCEHJLWSJ-ZBFHGGJFSA-N 2 1 308.466 3.334 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000158196270 197252378 /nfs/dbraw/zinc/25/23/78/197252378.db2.gz CHOVCVRUCZBRHO-OWYHZJEWSA-N 2 1 302.462 3.227 20 0 DGADMP CCO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860137 254066004 /nfs/dbraw/zinc/06/60/04/254066004.db2.gz NUUPZUISDBEPGR-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860137 254066005 /nfs/dbraw/zinc/06/60/05/254066005.db2.gz NUUPZUISDBEPGR-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CCCCO[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863128 254067343 /nfs/dbraw/zinc/06/73/43/254067343.db2.gz GMUFBGKLVXOQRD-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP CCCCO[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(C)C ZINC000342863128 254067345 /nfs/dbraw/zinc/06/73/45/254067345.db2.gz GMUFBGKLVXOQRD-IRXDYDNUSA-N 2 1 307.482 3.497 20 0 DGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(-c2ccncc2)c1 ZINC000343585451 254164198 /nfs/dbraw/zinc/16/41/98/254164198.db2.gz XOHFYYNISYHIDY-WOJBJXKFSA-N 2 1 307.441 3.465 20 0 DGADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000343610716 254167639 /nfs/dbraw/zinc/16/76/39/254167639.db2.gz ZADSJIKJOAZZJN-UHFFFAOYSA-N 2 1 312.461 3.005 20 0 DGADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000343610716 254167640 /nfs/dbraw/zinc/16/76/40/254167640.db2.gz ZADSJIKJOAZZJN-UHFFFAOYSA-N 2 1 312.461 3.005 20 0 DGADMP Cc1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000343739612 254183140 /nfs/dbraw/zinc/18/31/40/254183140.db2.gz YGFYJYIUWOQWSF-UHFFFAOYSA-N 2 1 324.472 3.129 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1(C)C ZINC000344161531 254233906 /nfs/dbraw/zinc/23/39/06/254233906.db2.gz GJLJZAJJLHNPOV-ROUUACIJSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000343988922 254210384 /nfs/dbraw/zinc/21/03/84/254210384.db2.gz OYSAVQXWMCMQJA-FCEWJHQRSA-N 2 1 302.462 3.325 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000344633084 254291457 /nfs/dbraw/zinc/29/14/57/254291457.db2.gz QSYGYZNXFDXNDV-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000344633084 254291458 /nfs/dbraw/zinc/29/14/58/254291458.db2.gz QSYGYZNXFDXNDV-DOTOQJQBSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000344521340 254279339 /nfs/dbraw/zinc/27/93/39/254279339.db2.gz GRLFQGLAWMCNEN-CUDHKJQZSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000344521340 254279341 /nfs/dbraw/zinc/27/93/41/254279341.db2.gz GRLFQGLAWMCNEN-CUDHKJQZSA-N 2 1 316.489 3.038 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000344691209 254296505 /nfs/dbraw/zinc/29/65/05/254296505.db2.gz XPXGNMHEVREZIJ-GOEBONIOSA-N 2 1 306.450 3.056 20 0 DGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000344691209 254296506 /nfs/dbraw/zinc/29/65/06/254296506.db2.gz XPXGNMHEVREZIJ-GOEBONIOSA-N 2 1 306.450 3.056 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1O ZINC000344794109 254306351 /nfs/dbraw/zinc/30/63/51/254306351.db2.gz XKAAFTTXJBGTPM-UHFFFAOYSA-N 2 1 318.461 3.288 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(O)c1 ZINC000344802820 254306896 /nfs/dbraw/zinc/30/68/96/254306896.db2.gz FNEYEKMLPGUWTD-IAGOWNOFSA-N 2 1 320.477 3.391 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000156214342 197095239 /nfs/dbraw/zinc/09/52/39/197095239.db2.gz LQJIEWOUEXTLSW-IAGOWNOFSA-N 2 1 314.477 3.464 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000156214342 197095241 /nfs/dbraw/zinc/09/52/41/197095241.db2.gz LQJIEWOUEXTLSW-IAGOWNOFSA-N 2 1 314.477 3.464 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000120671242 195213444 /nfs/dbraw/zinc/21/34/44/195213444.db2.gz RASNGBPYZFBSPO-AWEZNQCLSA-N 2 1 303.450 3.170 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000271593306 209042240 /nfs/dbraw/zinc/04/22/40/209042240.db2.gz TZXHFFJZNUZZHO-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000271593306 209042243 /nfs/dbraw/zinc/04/22/43/209042243.db2.gz TZXHFFJZNUZZHO-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Oc2cnccn2)cc1 ZINC000289548772 221059511 /nfs/dbraw/zinc/05/95/11/221059511.db2.gz XMLHSAMSZLNJBV-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Oc2cnccn2)cc1 ZINC000289548772 221059513 /nfs/dbraw/zinc/05/95/13/221059513.db2.gz XMLHSAMSZLNJBV-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP Cn1cccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289685301 221152326 /nfs/dbraw/zinc/15/23/26/221152326.db2.gz OCHHXJVOFHWBSO-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1cccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289685301 221152330 /nfs/dbraw/zinc/15/23/30/221152330.db2.gz OCHHXJVOFHWBSO-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289685301 221152333 /nfs/dbraw/zinc/15/23/33/221152333.db2.gz OCHHXJVOFHWBSO-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1cccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289685301 221152335 /nfs/dbraw/zinc/15/23/35/221152335.db2.gz OCHHXJVOFHWBSO-HXUWFJFHSA-N 2 1 309.457 3.123 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1O ZINC000289878057 221286766 /nfs/dbraw/zinc/28/67/66/221286766.db2.gz SLKIKZLBGQWECG-CABCVRRESA-N 2 1 306.450 3.172 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000289878057 221286768 /nfs/dbraw/zinc/28/67/68/221286768.db2.gz SLKIKZLBGQWECG-CABCVRRESA-N 2 1 306.450 3.172 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294995266 224365829 /nfs/dbraw/zinc/36/58/29/224365829.db2.gz HVTFYCIZKHVLDZ-IJEWVQPXSA-N 2 1 310.532 3.301 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294995266 224365831 /nfs/dbraw/zinc/36/58/31/224365831.db2.gz HVTFYCIZKHVLDZ-IJEWVQPXSA-N 2 1 310.532 3.301 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535517 285353740 /nfs/dbraw/zinc/35/37/40/285353740.db2.gz RSEZIRLQSFXVRY-FQEVSTJZSA-N 2 1 324.472 3.065 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535517 285353744 /nfs/dbraw/zinc/35/37/44/285353744.db2.gz RSEZIRLQSFXVRY-FQEVSTJZSA-N 2 1 324.472 3.065 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352540006 285355374 /nfs/dbraw/zinc/35/53/74/285355374.db2.gz GBCMEWNARNERSY-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352540006 285355375 /nfs/dbraw/zinc/35/53/75/285355375.db2.gz GBCMEWNARNERSY-HNNXBMFYSA-N 2 1 314.351 3.161 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121033009 195283558 /nfs/dbraw/zinc/28/35/58/195283558.db2.gz ILJZNWLJXBZOSE-XDNAFOTISA-N 2 1 306.494 3.188 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(CO)c1 ZINC000121084802 195292306 /nfs/dbraw/zinc/29/23/06/195292306.db2.gz XLDWXINWBWXRKW-INIZCTEOSA-N 2 1 304.478 3.484 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000121552516 195306603 /nfs/dbraw/zinc/30/66/03/195306603.db2.gz NCEKYJXZSHDCLV-QZTJIDSGSA-N 2 1 300.446 3.192 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000121552516 195306604 /nfs/dbraw/zinc/30/66/04/195306604.db2.gz NCEKYJXZSHDCLV-QZTJIDSGSA-N 2 1 300.446 3.192 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000121588042 195311354 /nfs/dbraw/zinc/31/13/54/195311354.db2.gz IBQOHEVLCXUUQO-HZPDHXFCSA-N 2 1 317.477 3.418 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000121808198 195351454 /nfs/dbraw/zinc/35/14/54/195351454.db2.gz WIIZMNZGVQINKV-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000121808198 195351458 /nfs/dbraw/zinc/35/14/58/195351458.db2.gz WIIZMNZGVQINKV-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121808198 195351461 /nfs/dbraw/zinc/35/14/61/195351461.db2.gz WIIZMNZGVQINKV-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC2CC2)CC[NH+]1Cc1ccccc1 ZINC000121808198 195351463 /nfs/dbraw/zinc/35/14/63/195351463.db2.gz WIIZMNZGVQINKV-PXNSSMCTSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(Cc2ccccc2)c1 ZINC000295938669 533342558 /nfs/dbraw/zinc/34/25/58/533342558.db2.gz LIPRICTVHNWPGW-MIJOPJBOSA-N 2 1 324.472 3.207 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(Cc2ccccc2)c1 ZINC000295938669 533342559 /nfs/dbraw/zinc/34/25/59/533342559.db2.gz LIPRICTVHNWPGW-MIJOPJBOSA-N 2 1 324.472 3.207 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000415123134 533567942 /nfs/dbraw/zinc/56/79/42/533567942.db2.gz IXWNWPVRXPOKFX-RDJZCZTQSA-N 2 1 320.477 3.147 20 0 DGADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866578 533665219 /nfs/dbraw/zinc/66/52/19/533665219.db2.gz NFDABRSJAPOJTM-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)n2c1CCCC2 ZINC000279475561 285573738 /nfs/dbraw/zinc/57/37/38/285573738.db2.gz SPOXQGQXSUXIQG-KRWDZBQOSA-N 2 1 301.434 3.092 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)o1 ZINC000584785373 400102913 /nfs/dbraw/zinc/10/29/13/400102913.db2.gz IMXRTHIPLWBLGC-UHFFFAOYSA-N 2 1 305.447 3.272 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000091306429 400112459 /nfs/dbraw/zinc/11/24/59/400112459.db2.gz GFIBVTRJCAOXKI-FQEVSTJZSA-N 2 1 316.489 3.354 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500470 400080889 /nfs/dbraw/zinc/08/08/89/400080889.db2.gz SVQDQTTZOVMMOW-MDNKFWRPSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500470 400080890 /nfs/dbraw/zinc/08/08/90/400080890.db2.gz SVQDQTTZOVMMOW-MDNKFWRPSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000608500470 400080893 /nfs/dbraw/zinc/08/08/93/400080893.db2.gz SVQDQTTZOVMMOW-MDNKFWRPSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000608500470 400080894 /nfs/dbraw/zinc/08/08/94/400080894.db2.gz SVQDQTTZOVMMOW-MDNKFWRPSA-N 2 1 316.489 3.132 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092564410 400182236 /nfs/dbraw/zinc/18/22/36/400182236.db2.gz ASVMYDSJDAROAW-GTPINHCMSA-N 2 1 324.509 3.208 20 0 DGADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066464 400152351 /nfs/dbraw/zinc/15/23/51/400152351.db2.gz ZXKUSHDABCCJKE-CRAIPNDOSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066464 400152355 /nfs/dbraw/zinc/15/23/55/400152355.db2.gz ZXKUSHDABCCJKE-CRAIPNDOSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066464 400152358 /nfs/dbraw/zinc/15/23/58/400152358.db2.gz ZXKUSHDABCCJKE-CRAIPNDOSA-N 2 1 310.445 3.012 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)[C@@H](C)C1 ZINC000596118277 400321886 /nfs/dbraw/zinc/32/18/86/400321886.db2.gz VBMHVNQQYIOURR-XIRDDKMYSA-N 2 1 324.509 3.064 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000595826653 400272518 /nfs/dbraw/zinc/27/25/18/400272518.db2.gz GCCXALDRTIWJEA-UHFFFAOYSA-N 2 1 323.481 3.271 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000595826653 400272520 /nfs/dbraw/zinc/27/25/20/400272520.db2.gz GCCXALDRTIWJEA-UHFFFAOYSA-N 2 1 323.481 3.271 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589641905 400314679 /nfs/dbraw/zinc/31/46/79/400314679.db2.gz USVMLTJYUPPASF-MRXNPFEDSA-N 2 1 314.477 3.318 20 0 DGADMP Cc1csc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000069168684 400315087 /nfs/dbraw/zinc/31/50/87/400315087.db2.gz XFMUODGXXKXKJF-AWEZNQCLSA-N 2 1 319.474 3.243 20 0 DGADMP Cc1ccccc1NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000072585174 400390909 /nfs/dbraw/zinc/39/09/09/400390909.db2.gz YERGRINYKXTSQT-UHFFFAOYSA-N 2 1 317.477 3.128 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(Br)c1 ZINC000069753986 400341431 /nfs/dbraw/zinc/34/14/31/400341431.db2.gz UNXKSUWAGLKPFZ-UHFFFAOYSA-N 2 1 308.223 3.134 20 0 DGADMP Cc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000110434789 400356551 /nfs/dbraw/zinc/35/65/51/400356551.db2.gz NWBCSXAXDBMMFI-HDICACEKSA-N 2 1 316.489 3.316 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c2ccccc2[nH+]1 ZINC000041873182 400415545 /nfs/dbraw/zinc/41/55/45/400415545.db2.gz AHXYMNQFJHQRNJ-UHFFFAOYSA-N 2 1 307.397 3.458 20 0 DGADMP CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000590777448 400433361 /nfs/dbraw/zinc/43/33/61/400433361.db2.gz HAKXTBSLQTVVIO-RCCFBDPRSA-N 2 1 304.503 3.382 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](CCC(=O)OC)c2ccccc2)CC1 ZINC000591259187 400504352 /nfs/dbraw/zinc/50/43/52/400504352.db2.gz ZRKPJMYIFOBDPZ-GOSISDBHSA-N 2 1 318.461 3.145 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC000124401761 400475790 /nfs/dbraw/zinc/47/57/90/400475790.db2.gz CCTXXWOECMYLSB-SFHVURJKSA-N 2 1 317.521 3.228 20 0 DGADMP COC(=O)c1csc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000602515115 400484607 /nfs/dbraw/zinc/48/46/07/400484607.db2.gz UKNCCQZDPANKRL-AWEZNQCLSA-N 2 1 324.490 3.136 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000591701397 400551177 /nfs/dbraw/zinc/55/11/77/400551177.db2.gz SSOOPWMXLYNIQX-HNNXBMFYSA-N 2 1 321.428 3.074 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597077250 400552424 /nfs/dbraw/zinc/55/24/24/400552424.db2.gz ZYIHGMONSFFWLH-UHFFFAOYSA-N 2 1 324.852 3.091 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2occc2C(=O)OC)CC1 ZINC000052209250 400723570 /nfs/dbraw/zinc/72/35/70/400723570.db2.gz XUQXNIDHPATIGZ-UHFFFAOYSA-N 2 1 322.449 3.010 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2occc2C(=O)OC)CC1 ZINC000052209250 400723573 /nfs/dbraw/zinc/72/35/73/400723573.db2.gz XUQXNIDHPATIGZ-UHFFFAOYSA-N 2 1 322.449 3.010 20 0 DGADMP Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000052467253 400733076 /nfs/dbraw/zinc/73/30/76/400733076.db2.gz NDGSULPUHGVWPX-UHFFFAOYSA-N 2 1 314.408 3.309 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)CC1(C)C ZINC000598960292 400912203 /nfs/dbraw/zinc/91/22/03/400912203.db2.gz AHRSFKLSWLTJTO-OAHLLOKOSA-N 2 1 312.498 3.351 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629652450 401017508 /nfs/dbraw/zinc/01/75/08/401017508.db2.gz ASTKGNOTMMGNDL-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629652450 401017510 /nfs/dbraw/zinc/01/75/10/401017510.db2.gz ASTKGNOTMMGNDL-ZFWWWQNUSA-N 2 1 316.367 3.044 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000629534384 400964037 /nfs/dbraw/zinc/96/40/37/400964037.db2.gz XXBGBMVXDFFKLU-QFBILLFUSA-N 2 1 301.478 3.477 20 0 DGADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnn(CC[NH+](C)C)c2)c1 ZINC000629702146 401048960 /nfs/dbraw/zinc/04/89/60/401048960.db2.gz IPCZASHDANLUQH-MRXNPFEDSA-N 2 1 312.461 3.096 20 0 DGADMP Cc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)n1-c1ccccc1 ZINC000081292708 401050059 /nfs/dbraw/zinc/05/00/59/401050059.db2.gz LJEUGLBXQKMQFE-INIZCTEOSA-N 2 1 312.461 3.002 20 0 DGADMP C[NH+](C)Cc1cccc(-c2ccc(CN3CCC([NH3+])CC3)cc2)c1 ZINC000629707618 401051867 /nfs/dbraw/zinc/05/18/67/401051867.db2.gz VLPQGNVNDLBMPY-UHFFFAOYSA-N 2 1 323.484 3.338 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599493720 401058970 /nfs/dbraw/zinc/05/89/70/401058970.db2.gz AZUDNVCXHZDOOV-GOSISDBHSA-N 2 1 321.465 3.168 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599493720 401058975 /nfs/dbraw/zinc/05/89/75/401058975.db2.gz AZUDNVCXHZDOOV-GOSISDBHSA-N 2 1 321.465 3.168 20 0 DGADMP CC[N@@H+](C)C[C@H]1CCN([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317625 401021468 /nfs/dbraw/zinc/02/14/68/401021468.db2.gz TWKWFRSQMZOBPQ-CVEARBPZSA-N 2 1 312.498 3.016 20 0 DGADMP CC(C)(C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629656559 401022081 /nfs/dbraw/zinc/02/20/81/401022081.db2.gz OXRFDJOLZKSUII-HIFRSBDPSA-N 2 1 314.395 3.423 20 0 DGADMP CC(C)(C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629656559 401022082 /nfs/dbraw/zinc/02/20/82/401022082.db2.gz OXRFDJOLZKSUII-HIFRSBDPSA-N 2 1 314.395 3.423 20 0 DGADMP Cc1nccn1CCC[N@H+](C)[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000599333896 401023937 /nfs/dbraw/zinc/02/39/37/401023937.db2.gz BLRFJPFPQMHCIO-INIZCTEOSA-N 2 1 323.481 3.270 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000599333896 401023955 /nfs/dbraw/zinc/02/39/55/401023955.db2.gz BLRFJPFPQMHCIO-INIZCTEOSA-N 2 1 323.481 3.270 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cc(C)cc(C)c2)C[C@@H]1C ZINC000607155545 401024786 /nfs/dbraw/zinc/02/47/86/401024786.db2.gz JIWQKIIHDWJHOF-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cc(C)cc(C)c2)C[C@@H]1C ZINC000607155545 401024791 /nfs/dbraw/zinc/02/47/91/401024791.db2.gz JIWQKIIHDWJHOF-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cc(C)cc(C)c2)C[C@@H]1C ZINC000607155545 401024796 /nfs/dbraw/zinc/02/47/96/401024796.db2.gz JIWQKIIHDWJHOF-ZWKOTPCHSA-N 2 1 304.478 3.487 20 0 DGADMP CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CCC(c2c[nH]cn2)CC1 ZINC000599340159 401025859 /nfs/dbraw/zinc/02/58/59/401025859.db2.gz BVBLYYUBWTWLJK-INIZCTEOSA-N 2 1 321.465 3.346 20 0 DGADMP CC[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659214 401104970 /nfs/dbraw/zinc/10/49/70/401104970.db2.gz GEULWMWRYWWXEK-UHFFFAOYSA-N 2 1 320.477 3.302 20 0 DGADMP c1ccc(Oc2ccc(OCC[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000607727218 401110824 /nfs/dbraw/zinc/11/08/24/401110824.db2.gz OUMHCJOTSFVFAL-IRXDYDNUSA-N 2 1 324.424 3.009 20 0 DGADMP CC(C)CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254050 286011963 /nfs/dbraw/zinc/01/19/63/286011963.db2.gz PKAHOMZMILTTIJ-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254050 286011964 /nfs/dbraw/zinc/01/19/64/286011964.db2.gz PKAHOMZMILTTIJ-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP Cc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697852 401184447 /nfs/dbraw/zinc/18/44/47/401184447.db2.gz VCOBVDIBSOTZFL-SFHVURJKSA-N 2 1 304.478 3.051 20 0 DGADMP Cc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697852 401184449 /nfs/dbraw/zinc/18/44/49/401184449.db2.gz VCOBVDIBSOTZFL-SFHVURJKSA-N 2 1 304.478 3.051 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697852 401184451 /nfs/dbraw/zinc/18/44/51/401184451.db2.gz VCOBVDIBSOTZFL-SFHVURJKSA-N 2 1 304.478 3.051 20 0 DGADMP Cc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000625697852 401184454 /nfs/dbraw/zinc/18/44/54/401184454.db2.gz VCOBVDIBSOTZFL-SFHVURJKSA-N 2 1 304.478 3.051 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000600119962 401185830 /nfs/dbraw/zinc/18/58/30/401185830.db2.gz GQXWNKLEQCAWSP-AQNXPRMDSA-N 2 1 321.553 3.303 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000608497578 401263867 /nfs/dbraw/zinc/26/38/67/401263867.db2.gz ZCOSQXGIDBBQMD-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)[C@H](C)C1 ZINC000358349756 286039134 /nfs/dbraw/zinc/03/91/34/286039134.db2.gz ICVPOVFWFJTJGR-SJLPKXTDSA-N 2 1 308.510 3.293 20 0 DGADMP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)cn1 ZINC000626180442 401317438 /nfs/dbraw/zinc/31/74/38/401317438.db2.gz MXMZOFNQDCRTTI-GOSISDBHSA-N 2 1 314.433 3.116 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732394 401340235 /nfs/dbraw/zinc/34/02/35/401340235.db2.gz FLWZOKUAAPSMKF-NZSAHSFTSA-N 2 1 315.505 3.190 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634732394 401340240 /nfs/dbraw/zinc/34/02/40/401340240.db2.gz FLWZOKUAAPSMKF-NZSAHSFTSA-N 2 1 315.505 3.190 20 0 DGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1OC(C)C ZINC000634732557 401340457 /nfs/dbraw/zinc/34/04/57/401340457.db2.gz IZAXMHWHMFNWCS-INIZCTEOSA-N 2 1 320.477 3.350 20 0 DGADMP Cc1cc(C)c(/C=C/C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1C ZINC000631167314 401414021 /nfs/dbraw/zinc/41/40/21/401414021.db2.gz UZVNTVYGBLWIKI-AATRIKPKSA-N 2 1 316.489 3.061 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000635008764 401402074 /nfs/dbraw/zinc/40/20/74/401402074.db2.gz VCPNXGYIOSIOTN-ZULIPRJHSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000635008764 401402075 /nfs/dbraw/zinc/40/20/75/401402075.db2.gz VCPNXGYIOSIOTN-ZULIPRJHSA-N 3 1 315.505 3.147 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc4c3CCOC4)CC[NH2+]2)cc1 ZINC000635012274 401403655 /nfs/dbraw/zinc/40/36/55/401403655.db2.gz KTVWXDKOFNUDPK-CTNGQTDRSA-N 2 1 322.452 3.342 20 0 DGADMP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000631187431 401419800 /nfs/dbraw/zinc/41/98/00/401419800.db2.gz GJEAWMULPXGEBB-ZZCKCESHSA-N 2 1 322.399 3.011 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195414 401423089 /nfs/dbraw/zinc/42/30/89/401423089.db2.gz GQAAXKHYAWOOHH-RDTXWAMCSA-N 2 1 313.445 3.149 20 0 DGADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195414 401423090 /nfs/dbraw/zinc/42/30/90/401423090.db2.gz GQAAXKHYAWOOHH-RDTXWAMCSA-N 2 1 313.445 3.149 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631569199 401500723 /nfs/dbraw/zinc/50/07/23/401500723.db2.gz KKHOMWHONLNPBT-OWSLCNJRSA-N 2 1 306.494 3.046 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC000631570794 401501467 /nfs/dbraw/zinc/50/14/67/401501467.db2.gz ZDXBZEOOFFOGJC-GOEBONIOSA-N 2 1 306.450 3.086 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1OC ZINC000631579065 401504197 /nfs/dbraw/zinc/50/41/97/401504197.db2.gz BUJVECSCAKSUSV-HOCLYGCPSA-N 2 1 306.450 3.086 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccs3)CC2)CC1(C)C ZINC000623444900 401520766 /nfs/dbraw/zinc/52/07/66/401520766.db2.gz WHKSBQRJPJSPID-HNNXBMFYSA-N 2 1 307.507 3.179 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631664176 401529500 /nfs/dbraw/zinc/52/95/00/401529500.db2.gz MJZYHVYIAXJANZ-VKJFTORMSA-N 2 1 312.461 3.137 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631671070 401531598 /nfs/dbraw/zinc/53/15/98/401531598.db2.gz XMTIPPYLNSLONP-YTQUADARSA-N 2 1 304.478 3.038 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1OC(C)C ZINC000623654768 401562539 /nfs/dbraw/zinc/56/25/39/401562539.db2.gz IOGPKKJEPXZHHT-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1OC(C)C ZINC000623654768 401562540 /nfs/dbraw/zinc/56/25/40/401562540.db2.gz IOGPKKJEPXZHHT-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657244 401563143 /nfs/dbraw/zinc/56/31/43/401563143.db2.gz MCHCTEUJQAZDDH-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657244 401563145 /nfs/dbraw/zinc/56/31/45/401563145.db2.gz MCHCTEUJQAZDDH-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656783 401563390 /nfs/dbraw/zinc/56/33/90/401563390.db2.gz BQAVEKTUBWGPEA-INIZCTEOSA-N 2 1 306.498 3.076 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656783 401563392 /nfs/dbraw/zinc/56/33/92/401563392.db2.gz BQAVEKTUBWGPEA-INIZCTEOSA-N 2 1 306.498 3.076 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000623657768 401564485 /nfs/dbraw/zinc/56/44/85/401564485.db2.gz YQVVPJLJVPQGMB-KRWDZBQOSA-N 2 1 318.461 3.060 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628292830 401569066 /nfs/dbraw/zinc/56/90/66/401569066.db2.gz XELCAPOZZSYKCV-MRXNPFEDSA-N 2 1 312.379 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628292830 401569068 /nfs/dbraw/zinc/56/90/68/401569068.db2.gz XELCAPOZZSYKCV-MRXNPFEDSA-N 2 1 312.379 3.276 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628292830 401569069 /nfs/dbraw/zinc/56/90/69/401569069.db2.gz XELCAPOZZSYKCV-MRXNPFEDSA-N 2 1 312.379 3.276 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000631748346 401549348 /nfs/dbraw/zinc/54/93/48/401549348.db2.gz CWORNSNLYOFCMI-FQEVSTJZSA-N 2 1 315.505 3.032 20 0 DGADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000631748346 401549349 /nfs/dbraw/zinc/54/93/49/401549349.db2.gz CWORNSNLYOFCMI-FQEVSTJZSA-N 2 1 315.505 3.032 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccccc3n2)c1 ZINC000628214480 401552280 /nfs/dbraw/zinc/55/22/80/401552280.db2.gz ZIHCIOCCBWABPJ-UHFFFAOYSA-N 2 1 320.440 3.371 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628230278 401555278 /nfs/dbraw/zinc/55/52/78/401555278.db2.gz AVFQFQUVGCKJLP-MRXNPFEDSA-N 2 1 312.461 3.087 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628230278 401555281 /nfs/dbraw/zinc/55/52/81/401555281.db2.gz AVFQFQUVGCKJLP-MRXNPFEDSA-N 2 1 312.461 3.087 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000631826502 401559419 /nfs/dbraw/zinc/55/94/19/401559419.db2.gz OWPOCFWPOUOGSQ-ZWKOTPCHSA-N 2 1 301.478 3.218 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119953 401628508 /nfs/dbraw/zinc/62/85/08/401628508.db2.gz NEHWYFVHJHTIHT-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119953 401628509 /nfs/dbraw/zinc/62/85/09/401628509.db2.gz NEHWYFVHJHTIHT-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122938 401628901 /nfs/dbraw/zinc/62/89/01/401628901.db2.gz BHMJPBZZJIIURY-SMDDNHRTSA-N 2 1 312.379 3.413 20 0 DGADMP COC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624123337 401629291 /nfs/dbraw/zinc/62/92/91/401629291.db2.gz KCOVBZXKZUHUPD-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000624123337 401629294 /nfs/dbraw/zinc/62/92/94/401629294.db2.gz KCOVBZXKZUHUPD-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624123337 401629296 /nfs/dbraw/zinc/62/92/96/401629296.db2.gz KCOVBZXKZUHUPD-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000358490188 286076197 /nfs/dbraw/zinc/07/61/97/286076197.db2.gz ZJMDGFIEAHNTCJ-GJZGRUSLSA-N 2 1 306.450 3.169 20 0 DGADMP COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000358490188 286076199 /nfs/dbraw/zinc/07/61/99/286076199.db2.gz ZJMDGFIEAHNTCJ-GJZGRUSLSA-N 2 1 306.450 3.169 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000358564072 286094527 /nfs/dbraw/zinc/09/45/27/286094527.db2.gz WRXYFZYZEHDIDJ-JYBIWHBTSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000358564072 286094528 /nfs/dbraw/zinc/09/45/28/286094528.db2.gz WRXYFZYZEHDIDJ-JYBIWHBTSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000358660477 286118224 /nfs/dbraw/zinc/11/82/24/286118224.db2.gz GLGGFZPCRCTWPB-JFRXWTBNSA-N 2 1 307.526 3.102 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358648346 286116782 /nfs/dbraw/zinc/11/67/82/286116782.db2.gz IOAXOHDJKPHFRW-ONCXSQPRSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358648346 286116783 /nfs/dbraw/zinc/11/67/83/286116783.db2.gz IOAXOHDJKPHFRW-ONCXSQPRSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@@H+]1C ZINC000358671409 286120566 /nfs/dbraw/zinc/12/05/66/286120566.db2.gz XTTMAAZUUUEQKH-CZUORRHYSA-N 2 1 323.431 3.006 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC000358671409 286120568 /nfs/dbraw/zinc/12/05/68/286120568.db2.gz XTTMAAZUUUEQKH-CZUORRHYSA-N 2 1 323.431 3.006 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720734 286132883 /nfs/dbraw/zinc/13/28/83/286132883.db2.gz VQGQZPAJXXFPLC-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358720734 286132886 /nfs/dbraw/zinc/13/28/86/286132886.db2.gz VQGQZPAJXXFPLC-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358915420 286186555 /nfs/dbraw/zinc/18/65/55/286186555.db2.gz ONYBHEQJIVLICA-DOTOQJQBSA-N 2 1 304.482 3.042 20 0 DGADMP c1ccc(CCCO[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359187781 286257857 /nfs/dbraw/zinc/25/78/57/286257857.db2.gz JWVDIPDGVGJCRU-HXUWFJFHSA-N 2 1 316.489 3.100 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c(OC)c1 ZINC000359223766 286264208 /nfs/dbraw/zinc/26/42/08/286264208.db2.gz ZUARNBPMKVLQME-GOSISDBHSA-N 2 1 318.461 3.230 20 0 DGADMP Clc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000359227446 286264954 /nfs/dbraw/zinc/26/49/54/286264954.db2.gz WILQUPWZMBKFED-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCCC1)CCCO2 ZINC000423187265 286428130 /nfs/dbraw/zinc/42/81/30/286428130.db2.gz XRLKLISSVIWTDX-MRXNPFEDSA-N 2 1 304.434 3.160 20 0 DGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000449221599 296704032 /nfs/dbraw/zinc/70/40/32/296704032.db2.gz GUPUKVFJANMLCG-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(F)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364312620 287010998 /nfs/dbraw/zinc/01/09/98/287010998.db2.gz CDXPHUXLITXUCT-CRAIPNDOSA-N 2 1 313.420 3.221 20 0 DGADMP C[C@H](CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000364756525 287058407 /nfs/dbraw/zinc/05/84/07/287058407.db2.gz FCDPIXCJDRNEJC-BTHPGYMESA-N 2 1 316.489 3.364 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186599173 165052521 /nfs/dbraw/zinc/05/25/21/165052521.db2.gz NMOLFWUHTYFYLB-IBGZPJMESA-N 2 1 311.429 3.103 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186599173 165052523 /nfs/dbraw/zinc/05/25/23/165052523.db2.gz NMOLFWUHTYFYLB-IBGZPJMESA-N 2 1 311.429 3.103 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNCc1nccn1-c1ccccc1 ZINC000190697616 165213197 /nfs/dbraw/zinc/21/31/97/165213197.db2.gz LVMCEZRDYYLBTN-KRWDZBQOSA-N 2 1 312.461 3.226 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000190800395 165217006 /nfs/dbraw/zinc/21/70/06/165217006.db2.gz HVRZBJGGMPGLOD-KRWDZBQOSA-N 2 1 318.509 3.138 20 0 DGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000192600912 165298058 /nfs/dbraw/zinc/29/80/58/165298058.db2.gz QHILSCQVPDIBKH-MUSFGAPCSA-N 2 1 321.896 3.158 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192679343 165302518 /nfs/dbraw/zinc/30/25/18/165302518.db2.gz VYPPYNLNPGSGTQ-AYHJJNSGSA-N 2 1 315.461 3.140 20 0 DGADMP CC(C)c1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192989923 165314536 /nfs/dbraw/zinc/31/45/36/165314536.db2.gz HQMOWJGECRQPCV-ALOPSCKCSA-N 2 1 302.462 3.404 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CC(C)(C)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000193140668 165318829 /nfs/dbraw/zinc/31/88/29/165318829.db2.gz YXPXHRYQXSOJOP-DYVFJYSZSA-N 2 1 316.493 3.477 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000365401642 287128212 /nfs/dbraw/zinc/12/82/12/287128212.db2.gz FVPADJSRNNBXQU-KRWDZBQOSA-N 2 1 301.409 3.290 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000365401642 287128214 /nfs/dbraw/zinc/12/82/14/287128214.db2.gz FVPADJSRNNBXQU-KRWDZBQOSA-N 2 1 301.409 3.290 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000190505973 432164368 /nfs/dbraw/zinc/16/43/68/432164368.db2.gz OIRCYFIALNVNDI-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000246820609 432168549 /nfs/dbraw/zinc/16/85/49/432168549.db2.gz AOSOFSNDKUOAHB-SOUVJXGZSA-N 2 1 306.450 3.227 20 0 DGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246874489 432176835 /nfs/dbraw/zinc/17/68/35/432176835.db2.gz DQQLALLLXGSZEE-GOEBONIOSA-N 2 1 310.869 3.490 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246908658 432180494 /nfs/dbraw/zinc/18/04/94/432180494.db2.gz RVFNVOUWRHSIBO-HOCLYGCPSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246908658 432180496 /nfs/dbraw/zinc/18/04/96/432180496.db2.gz RVFNVOUWRHSIBO-HOCLYGCPSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246908658 432180500 /nfs/dbraw/zinc/18/05/00/432180500.db2.gz RVFNVOUWRHSIBO-HOCLYGCPSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246908658 432180503 /nfs/dbraw/zinc/18/05/03/432180503.db2.gz RVFNVOUWRHSIBO-HOCLYGCPSA-N 2 1 305.491 3.209 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000246858552 432173785 /nfs/dbraw/zinc/17/37/85/432173785.db2.gz CKMVWEXEFRIQQR-RRFJBIMHSA-N 2 1 306.450 3.227 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000246997221 432190720 /nfs/dbraw/zinc/19/07/20/432190720.db2.gz KNMAKDRCKXCPSH-SXLOBPIMSA-N 2 1 317.521 3.012 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCOCc3ccccc3)CC[C@@H]21 ZINC000182471706 432193711 /nfs/dbraw/zinc/19/37/11/432193711.db2.gz NQEGDKJEBWYYJG-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCOCc3ccccc3)CC[C@@H]21 ZINC000182471706 432193715 /nfs/dbraw/zinc/19/37/15/432193715.db2.gz NQEGDKJEBWYYJG-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOCc3ccccc3)CC[C@@H]21 ZINC000182471706 432193717 /nfs/dbraw/zinc/19/37/17/432193717.db2.gz NQEGDKJEBWYYJG-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150802071 432193889 /nfs/dbraw/zinc/19/38/89/432193889.db2.gz BJPKBJXBZCEPBN-SFHVURJKSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150802071 432193892 /nfs/dbraw/zinc/19/38/92/432193892.db2.gz BJPKBJXBZCEPBN-SFHVURJKSA-N 2 1 302.462 3.392 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000130768398 196108642 /nfs/dbraw/zinc/10/86/42/196108642.db2.gz MDJUHOPQNMVCRC-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000182649194 432213830 /nfs/dbraw/zinc/21/38/30/432213830.db2.gz ZZOPDWBZEMUTGW-WMZOPIPTSA-N 2 1 313.445 3.407 20 0 DGADMP C[C@@H]1CSCC[NH+]1CCCCC[N@@H+]1CCSC[C@@H]1C ZINC000172659121 432228091 /nfs/dbraw/zinc/22/80/91/432228091.db2.gz WCHWZWCEIHSMFP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]1CSCC[N@H+]1CCCCC[NH+]1CCSC[C@@H]1C ZINC000172659121 432228093 /nfs/dbraw/zinc/22/80/93/432228093.db2.gz WCHWZWCEIHSMFP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]1CSCC[N@@H+]1CCCCC[NH+]1CCSC[C@@H]1C ZINC000172659121 432228096 /nfs/dbraw/zinc/22/80/96/432228096.db2.gz WCHWZWCEIHSMFP-GASCZTMLSA-N 2 1 302.553 3.031 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269870753 432216811 /nfs/dbraw/zinc/21/68/11/432216811.db2.gz MPXGRUSFHZZFPJ-ZBEGNZNMSA-N 2 1 305.372 3.383 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc2ccccc12 ZINC000131652096 196187726 /nfs/dbraw/zinc/18/77/26/196187726.db2.gz SKUNYTGTZBYIRF-AAEUAGOBSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc2ccccc12 ZINC000131652096 196187727 /nfs/dbraw/zinc/18/77/27/196187727.db2.gz SKUNYTGTZBYIRF-AAEUAGOBSA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc2ccccc12 ZINC000131652329 196188226 /nfs/dbraw/zinc/18/82/26/196188226.db2.gz SKUNYTGTZBYIRF-WCQYABFASA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc2ccccc12 ZINC000131652329 196188228 /nfs/dbraw/zinc/18/82/28/196188228.db2.gz SKUNYTGTZBYIRF-WCQYABFASA-N 2 1 303.837 3.366 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132323479 196245295 /nfs/dbraw/zinc/24/52/95/196245295.db2.gz ZIWBFVFIOPKPSE-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132323479 196245297 /nfs/dbraw/zinc/24/52/97/196245297.db2.gz ZIWBFVFIOPKPSE-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1Br)C[NH+]1CCCCC1 ZINC000132502070 196260581 /nfs/dbraw/zinc/26/05/81/196260581.db2.gz LDQGZVYVRSQWRP-GFCCVEGCSA-N 2 1 312.255 3.378 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000134008549 196353440 /nfs/dbraw/zinc/35/34/40/196353440.db2.gz ZNILKXQKLYNDBH-NEWSRXKRSA-N 2 1 303.494 3.142 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000295835315 225294966 /nfs/dbraw/zinc/29/49/66/225294966.db2.gz CXHSRJDPRNBFOW-TZUVLKIQSA-N 2 1 318.461 3.117 20 0 DGADMP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000296587753 226024363 /nfs/dbraw/zinc/02/43/63/226024363.db2.gz UUPIOFDIJODWJQ-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]c3nccnc23)c1 ZINC000290951396 222024586 /nfs/dbraw/zinc/02/45/86/222024586.db2.gz VEOIGJUJUWLPIT-UHFFFAOYSA-N 2 1 323.444 3.088 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291254444 222261999 /nfs/dbraw/zinc/26/19/99/222261999.db2.gz WFVKOQUBWGQXLI-ONCXSQPRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000291254444 222262002 /nfs/dbraw/zinc/26/20/02/222262002.db2.gz WFVKOQUBWGQXLI-ONCXSQPRSA-N 2 1 316.489 3.444 20 0 DGADMP CCC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179467118 263559915 /nfs/dbraw/zinc/55/99/15/263559915.db2.gz JNJMMIPSTMKUJR-KSZLIROESA-N 2 1 319.493 3.402 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH+]1C ZINC000346326451 264011900 /nfs/dbraw/zinc/01/19/00/264011900.db2.gz HZSYDHNTYAVOCH-ONCXSQPRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH+]1C ZINC000346326451 264011901 /nfs/dbraw/zinc/01/19/01/264011901.db2.gz HZSYDHNTYAVOCH-ONCXSQPRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[N@@H+]1C ZINC000346326451 264011903 /nfs/dbraw/zinc/01/19/03/264011903.db2.gz HZSYDHNTYAVOCH-ONCXSQPRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[N@H+]1C ZINC000346326451 264011905 /nfs/dbraw/zinc/01/19/05/264011905.db2.gz HZSYDHNTYAVOCH-ONCXSQPRSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1cc([C@@H](NCCn2ccnc2)c2cccnc2)ccc1F ZINC000346449030 264034057 /nfs/dbraw/zinc/03/40/57/264034057.db2.gz CVPKNBUOPGELGP-GOSISDBHSA-N 2 1 310.376 3.105 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCO1 ZINC000346546657 264050740 /nfs/dbraw/zinc/05/07/40/264050740.db2.gz BRXWMCHLDNQTNQ-YQQAZPJKSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCO1 ZINC000346546657 264050742 /nfs/dbraw/zinc/05/07/42/264050742.db2.gz BRXWMCHLDNQTNQ-YQQAZPJKSA-N 2 1 308.491 3.117 20 0 DGADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000346592147 264060850 /nfs/dbraw/zinc/06/08/50/264060850.db2.gz JXPOREWGVKTADW-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000346636909 264070686 /nfs/dbraw/zinc/07/06/86/264070686.db2.gz IEQGMHUGHNEBNH-NVXWUHKLSA-N 2 1 320.440 3.195 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000346641325 264071013 /nfs/dbraw/zinc/07/10/13/264071013.db2.gz BNYIJTHQAXDFRN-DZGCQCFKSA-N 2 1 301.459 3.288 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346650595 264072664 /nfs/dbraw/zinc/07/26/64/264072664.db2.gz CUIIWFWKUPYXLX-QGZVFWFLSA-N 2 1 320.868 3.331 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346650595 264072665 /nfs/dbraw/zinc/07/26/65/264072665.db2.gz CUIIWFWKUPYXLX-QGZVFWFLSA-N 2 1 320.868 3.331 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692890 264080160 /nfs/dbraw/zinc/08/01/60/264080160.db2.gz JOSBUHCARTYFMV-UONOGXRCSA-N 2 1 307.869 3.109 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000346692890 264080161 /nfs/dbraw/zinc/08/01/61/264080161.db2.gz JOSBUHCARTYFMV-UONOGXRCSA-N 2 1 307.869 3.109 20 0 DGADMP CCCOc1c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cccc1OCC ZINC000346692611 264080369 /nfs/dbraw/zinc/08/03/69/264080369.db2.gz HVJONAPCEOAWOS-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cccc1OCC ZINC000346692611 264080371 /nfs/dbraw/zinc/08/03/71/264080371.db2.gz HVJONAPCEOAWOS-LSDHHAIUSA-N 2 1 306.450 3.043 20 0 DGADMP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(OC(F)F)c1 ZINC000346689704 264080598 /nfs/dbraw/zinc/08/05/98/264080598.db2.gz SLGNEGJICFIGNH-AWEZNQCLSA-N 2 1 316.392 3.102 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(OC(F)F)c1 ZINC000346689704 264080601 /nfs/dbraw/zinc/08/06/01/264080601.db2.gz SLGNEGJICFIGNH-AWEZNQCLSA-N 2 1 316.392 3.102 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346693883 264081448 /nfs/dbraw/zinc/08/14/48/264081448.db2.gz QHQDEHYTNCIDGN-UHFFFAOYSA-N 2 1 314.477 3.412 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346693883 264081449 /nfs/dbraw/zinc/08/14/49/264081449.db2.gz QHQDEHYTNCIDGN-UHFFFAOYSA-N 2 1 314.477 3.412 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1Oc1cccnc1 ZINC000346694023 264081477 /nfs/dbraw/zinc/08/14/77/264081477.db2.gz RIRKLVLRZKMXHD-NVXWUHKLSA-N 2 1 311.429 3.351 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)C[C@@H]12 ZINC000346814025 264102266 /nfs/dbraw/zinc/10/22/66/264102266.db2.gz BILZKHQWKYYWDA-RAIGVLPGSA-N 2 1 305.472 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@@H]12 ZINC000346814025 264102268 /nfs/dbraw/zinc/10/22/68/264102268.db2.gz BILZKHQWKYYWDA-RAIGVLPGSA-N 2 1 305.472 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@H]12 ZINC000346828993 264104914 /nfs/dbraw/zinc/10/49/14/264104914.db2.gz OCJIPXVKVJPQEF-LEWSCRJBSA-N 2 1 305.472 3.041 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346834719 264106067 /nfs/dbraw/zinc/10/60/67/264106067.db2.gz SWPXYACCSIVOKR-YTQUADARSA-N 2 1 302.462 3.281 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000346842068 264107142 /nfs/dbraw/zinc/10/71/42/264107142.db2.gz WJIDRJKBCXPKTC-RDJZCZTQSA-N 2 1 302.462 3.295 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346845349 264107955 /nfs/dbraw/zinc/10/79/55/264107955.db2.gz NBEKHNFCCVYJIC-GVDBMIGSSA-N 2 1 318.461 3.043 20 0 DGADMP CC(C)COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346851384 264109421 /nfs/dbraw/zinc/10/94/21/264109421.db2.gz JMPQWRUXNHMECJ-QXAKKESOSA-N 2 1 302.462 3.281 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1cccnc1 ZINC000346856391 264110219 /nfs/dbraw/zinc/11/02/19/264110219.db2.gz VZCRINDKJYDEGD-QXAKKESOSA-N 2 1 323.440 3.351 20 0 DGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000346997449 264135927 /nfs/dbraw/zinc/13/59/27/264135927.db2.gz WORQXACJPQDTSK-HNNXBMFYSA-N 2 1 319.518 3.201 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000346995558 264136154 /nfs/dbraw/zinc/13/61/54/264136154.db2.gz BLSLVPDHHDVFQC-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000347002276 264137332 /nfs/dbraw/zinc/13/73/32/264137332.db2.gz IPJKMXFSGSKEAQ-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347018032 264141252 /nfs/dbraw/zinc/14/12/52/264141252.db2.gz LDSNETDKTFJGEI-AWEZNQCLSA-N 2 1 318.852 3.005 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347018032 264141255 /nfs/dbraw/zinc/14/12/55/264141255.db2.gz LDSNETDKTFJGEI-AWEZNQCLSA-N 2 1 318.852 3.005 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000347032479 264143487 /nfs/dbraw/zinc/14/34/87/264143487.db2.gz DUXUNRNEGJXQKQ-YJBOKZPZSA-N 2 1 311.429 3.351 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347087478 264154635 /nfs/dbraw/zinc/15/46/35/264154635.db2.gz DRTYZTZKEAZLMA-ZDUSSCGKSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347087478 264154636 /nfs/dbraw/zinc/15/46/36/264154636.db2.gz DRTYZTZKEAZLMA-ZDUSSCGKSA-N 2 1 316.367 3.059 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OCC ZINC000347096626 264155449 /nfs/dbraw/zinc/15/54/49/264155449.db2.gz ICBRZROBULCTTO-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OCC ZINC000347096626 264155450 /nfs/dbraw/zinc/15/54/50/264155450.db2.gz ICBRZROBULCTTO-MRXNPFEDSA-N 2 1 306.450 3.045 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000347124125 264161367 /nfs/dbraw/zinc/16/13/67/264161367.db2.gz JAVGSQWKNWZRHK-UHFFFAOYSA-N 2 1 317.408 3.012 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000347124125 264161369 /nfs/dbraw/zinc/16/13/69/264161369.db2.gz JAVGSQWKNWZRHK-UHFFFAOYSA-N 2 1 317.408 3.012 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc32)[C@@H](C)C1 ZINC000347191515 264173316 /nfs/dbraw/zinc/17/33/16/264173316.db2.gz HMDSLIXLLONOFT-HQRMLTQVSA-N 2 1 316.489 3.053 20 0 DGADMP COC1CC([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000347196757 264174253 /nfs/dbraw/zinc/17/42/53/264174253.db2.gz UYFBYDYZVKKHBC-MNNVXMFVSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347211632 264176383 /nfs/dbraw/zinc/17/63/83/264176383.db2.gz OXVHVLCIVNTPTL-OCCSQVGLSA-N 2 1 318.852 3.289 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000347378309 264210081 /nfs/dbraw/zinc/21/00/81/264210081.db2.gz FJLJAPGJBBCTRO-IRXDYDNUSA-N 2 1 315.461 3.068 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000347378309 264210083 /nfs/dbraw/zinc/21/00/83/264210083.db2.gz FJLJAPGJBBCTRO-IRXDYDNUSA-N 2 1 315.461 3.068 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347472904 264226979 /nfs/dbraw/zinc/22/69/79/264226979.db2.gz KWOJCQYHJKRCHM-QZTJIDSGSA-N 2 1 313.445 3.369 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347472904 264226981 /nfs/dbraw/zinc/22/69/81/264226981.db2.gz KWOJCQYHJKRCHM-QZTJIDSGSA-N 2 1 313.445 3.369 20 0 DGADMP CCC[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654347 264261085 /nfs/dbraw/zinc/26/10/85/264261085.db2.gz SABRIEWWWVGSCN-HOTGVXAUSA-N 2 1 315.465 3.035 20 0 DGADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1OC ZINC000347857870 264297234 /nfs/dbraw/zinc/29/72/34/264297234.db2.gz OYACYZHIIWMFTB-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1OC ZINC000347857870 264297236 /nfs/dbraw/zinc/29/72/36/264297236.db2.gz OYACYZHIIWMFTB-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC000347857870 264297238 /nfs/dbraw/zinc/29/72/38/264297238.db2.gz OYACYZHIIWMFTB-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1OC ZINC000347857870 264297240 /nfs/dbraw/zinc/29/72/40/264297240.db2.gz OYACYZHIIWMFTB-KRWDZBQOSA-N 2 1 320.477 3.318 20 0 DGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000347925865 264307555 /nfs/dbraw/zinc/30/75/55/264307555.db2.gz SJLNDEMGEJKUOC-GOSISDBHSA-N 2 1 304.503 3.483 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348098265 264339282 /nfs/dbraw/zinc/33/92/82/264339282.db2.gz AGMXZGPIOVWICF-AICCOOGYSA-N 2 1 322.415 3.052 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348098265 264339283 /nfs/dbraw/zinc/33/92/83/264339283.db2.gz AGMXZGPIOVWICF-AICCOOGYSA-N 2 1 322.415 3.052 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000348112732 264343152 /nfs/dbraw/zinc/34/31/52/264343152.db2.gz REYQYJLOINZTNV-NZSAHSFTSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000348112732 264343155 /nfs/dbraw/zinc/34/31/55/264343155.db2.gz REYQYJLOINZTNV-NZSAHSFTSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000348125182 264346189 /nfs/dbraw/zinc/34/61/89/264346189.db2.gz XQOHLNQDMARTIL-SJORKVTESA-N 2 1 305.466 3.282 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@H](n3c(C)nc4c3CCCC4)C2)cn1 ZINC000348185823 264359667 /nfs/dbraw/zinc/35/96/67/264359667.db2.gz KZIIJMNPYKPQCZ-SFHVURJKSA-N 2 1 324.472 3.475 20 0 DGADMP CC(C)OC1CC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348190632 264360778 /nfs/dbraw/zinc/36/07/78/264360778.db2.gz CSVKQJAIOYZJIG-FVPXHTFXSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@H]([NH2+]CC1(CO)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348192578 264362078 /nfs/dbraw/zinc/36/20/78/264362078.db2.gz LYCUCTZPCDWETN-HKUYNNGSSA-N 2 1 316.489 3.039 20 0 DGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000348203068 264363390 /nfs/dbraw/zinc/36/33/90/264363390.db2.gz NTVKZOXFMIXIML-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000348203068 264363392 /nfs/dbraw/zinc/36/33/92/264363392.db2.gz NTVKZOXFMIXIML-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1 ZINC000348217724 264367338 /nfs/dbraw/zinc/36/73/38/264367338.db2.gz GQKJDDNDJBPIBI-QGZVFWFLSA-N 2 1 324.472 3.483 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348227060 264369214 /nfs/dbraw/zinc/36/92/14/264369214.db2.gz OKIWWYNQMCVXHC-FKICDVMDSA-N 2 1 314.473 3.054 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348378705 264399659 /nfs/dbraw/zinc/39/96/59/264399659.db2.gz OGKHWQNXWJBFQG-RBSFLKMASA-N 2 1 322.415 3.054 20 0 DGADMP Cc1ncsc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000352365654 265018375 /nfs/dbraw/zinc/01/83/75/265018375.db2.gz VCXMGJGMZXLPHW-UHFFFAOYSA-N 2 1 316.474 3.364 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000352487311 265067149 /nfs/dbraw/zinc/06/71/49/265067149.db2.gz CPOCHRUXKBVDIG-AWEZNQCLSA-N 2 1 316.367 3.331 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000352503223 265071411 /nfs/dbraw/zinc/07/14/11/265071411.db2.gz CWSKDVORRXASGH-MRXNPFEDSA-N 2 1 324.472 3.064 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000352503223 265071416 /nfs/dbraw/zinc/07/14/16/265071416.db2.gz CWSKDVORRXASGH-MRXNPFEDSA-N 2 1 324.472 3.064 20 0 DGADMP COc1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000352534097 265081018 /nfs/dbraw/zinc/08/10/18/265081018.db2.gz DALVXDKRCVSOPG-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352546598 265083724 /nfs/dbraw/zinc/08/37/24/265083724.db2.gz XQWAYJDUMFEYOD-LJQANCHMSA-N 2 1 300.446 3.051 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352546598 265083729 /nfs/dbraw/zinc/08/37/29/265083729.db2.gz XQWAYJDUMFEYOD-LJQANCHMSA-N 2 1 300.446 3.051 20 0 DGADMP CC[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000352652833 265116684 /nfs/dbraw/zinc/11/66/84/265116684.db2.gz RGYOBRKYPVULPJ-GOSISDBHSA-N 2 1 301.478 3.203 20 0 DGADMP CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000352732258 265145502 /nfs/dbraw/zinc/14/55/02/265145502.db2.gz NWSCHOUBGLUPFZ-NVXWUHKLSA-N 2 1 301.478 3.387 20 0 DGADMP CCc1ccc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cn1 ZINC000352759776 265156537 /nfs/dbraw/zinc/15/65/37/265156537.db2.gz LHNFLIXIFRAEIK-UHFFFAOYSA-N 2 1 310.445 3.106 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCC2 ZINC000352771380 265159449 /nfs/dbraw/zinc/15/94/49/265159449.db2.gz OOGZMCGEQWZWRI-CABCVRRESA-N 2 1 323.506 3.032 20 0 DGADMP CCc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000352770397 265159886 /nfs/dbraw/zinc/15/98/86/265159886.db2.gz KHNYJMSEKAOUFC-CALCHBBNSA-N 2 1 303.494 3.492 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2ccccc2F)s1 ZINC000352825587 265183098 /nfs/dbraw/zinc/18/30/98/265183098.db2.gz SNPVAHGARICRRC-UHFFFAOYSA-N 2 1 321.465 3.411 20 0 DGADMP COC(C)(C)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822201 265184057 /nfs/dbraw/zinc/18/40/57/265184057.db2.gz DOQVXGNVUNBULK-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822201 265184061 /nfs/dbraw/zinc/18/40/61/265184061.db2.gz DOQVXGNVUNBULK-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP COC(C)(C)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822201 265184064 /nfs/dbraw/zinc/18/40/64/265184064.db2.gz DOQVXGNVUNBULK-HXUWFJFHSA-N 2 1 316.489 3.400 20 0 DGADMP Cc1ccccc1C1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352832556 265188139 /nfs/dbraw/zinc/18/81/39/265188139.db2.gz WIJGBSMAYGGJJE-UHFFFAOYSA-N 2 1 315.486 3.335 20 0 DGADMP CN1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931198 265235900 /nfs/dbraw/zinc/23/59/00/265235900.db2.gz NCGIPODRFCYKEA-UYAOXDASSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931198 265235903 /nfs/dbraw/zinc/23/59/03/265235903.db2.gz NCGIPODRFCYKEA-UYAOXDASSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@@H]2CCN(Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931198 265235904 /nfs/dbraw/zinc/23/59/04/265235904.db2.gz NCGIPODRFCYKEA-UYAOXDASSA-N 2 1 307.441 3.275 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352967610 265249807 /nfs/dbraw/zinc/24/98/07/265249807.db2.gz MCUOHJNXSSMHLH-BWPNAZKDSA-N 2 1 316.489 3.444 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000353149372 265319037 /nfs/dbraw/zinc/31/90/37/265319037.db2.gz IBYUAFYZRMYKHZ-UHFFFAOYSA-N 2 1 313.420 3.399 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000353580733 265474493 /nfs/dbraw/zinc/47/44/93/265474493.db2.gz XNCUMWRDEWVEEX-AOIWGVFYSA-N 2 1 309.542 3.348 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@H]1C ZINC000353932965 265601640 /nfs/dbraw/zinc/60/16/40/265601640.db2.gz UHSVJVDMJZEVCO-XSLAGTTESA-N 2 1 324.509 3.066 20 0 DGADMP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000355219243 266004116 /nfs/dbraw/zinc/00/41/16/266004116.db2.gz LQKXQVVAKNNPIE-NRFANRHFSA-N 2 1 323.484 3.434 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000355353669 266048458 /nfs/dbraw/zinc/04/84/58/266048458.db2.gz JSLXJNMWSHWZLS-LJQANCHMSA-N 2 1 319.468 3.153 20 0 DGADMP CCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355751024 266173228 /nfs/dbraw/zinc/17/32/28/266173228.db2.gz WDIWADGJBMRQBT-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355751024 266173230 /nfs/dbraw/zinc/17/32/30/266173230.db2.gz WDIWADGJBMRQBT-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355751024 266173234 /nfs/dbraw/zinc/17/32/34/266173234.db2.gz WDIWADGJBMRQBT-IBGZPJMESA-N 2 1 302.462 3.011 20 0 DGADMP CN(Cc1cc(-c2ccc(F)cc2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355755978 266174472 /nfs/dbraw/zinc/17/44/72/266174472.db2.gz RFZNODIRIHHDHK-AWEZNQCLSA-N 2 1 317.408 3.254 20 0 DGADMP COC[C@@H](Cc1ccccc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000355793065 266188039 /nfs/dbraw/zinc/18/80/39/266188039.db2.gz XGNCJFOCIHLBKQ-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000355793065 266188041 /nfs/dbraw/zinc/18/80/41/266188041.db2.gz XGNCJFOCIHLBKQ-LJQANCHMSA-N 2 1 304.478 3.052 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000356010200 266255724 /nfs/dbraw/zinc/25/57/24/266255724.db2.gz ZEHZDQVSVDECGR-YYIAUSFCSA-N 2 1 323.525 3.017 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000270405661 432242713 /nfs/dbraw/zinc/24/27/13/432242713.db2.gz CZPZFNVATGLQTB-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000359879519 271007016 /nfs/dbraw/zinc/00/70/16/271007016.db2.gz RWXMCXURVWIJRF-YZGWKJHDSA-N 2 1 316.489 3.017 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000359897054 271011729 /nfs/dbraw/zinc/01/17/29/271011729.db2.gz KIOXOZHHUAEWGF-BTHPGYMESA-N 2 1 316.489 3.444 20 0 DGADMP CCC[N@H+]1CC[C@@H](CN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601715 271048988 /nfs/dbraw/zinc/04/89/88/271048988.db2.gz PAQOFHVWLRSBQP-RDJZCZTQSA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601715 271048991 /nfs/dbraw/zinc/04/89/91/271048991.db2.gz PAQOFHVWLRSBQP-RDJZCZTQSA-N 2 1 304.482 3.353 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367601715 271048995 /nfs/dbraw/zinc/04/89/95/271048995.db2.gz PAQOFHVWLRSBQP-RDJZCZTQSA-N 2 1 304.482 3.353 20 0 DGADMP c1c[nH]c([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614099 271049969 /nfs/dbraw/zinc/04/99/69/271049969.db2.gz GZPQXYRSPNFKIF-WMLDXEAASA-N 2 1 302.466 3.105 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367697324 271065295 /nfs/dbraw/zinc/06/52/95/271065295.db2.gz KSRHSIZQZUCGJZ-BWPNAZKDSA-N 2 1 316.489 3.159 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)OCCc3sccc32)CC1 ZINC000368083883 271132867 /nfs/dbraw/zinc/13/28/67/271132867.db2.gz PBKPVEDQKBQHAA-SFHVURJKSA-N 2 1 322.518 3.389 20 0 DGADMP CC[C@H](C)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368547687 271167765 /nfs/dbraw/zinc/16/77/65/271167765.db2.gz DSTWHAXBGMGDPW-KRWDZBQOSA-N 3 1 309.542 3.161 20 0 DGADMP CC[C@H](C)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368547687 271167762 /nfs/dbraw/zinc/16/77/62/271167762.db2.gz DSTWHAXBGMGDPW-KRWDZBQOSA-N 2 1 309.542 3.161 20 0 DGADMP CC[C@H](C)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368547687 271167769 /nfs/dbraw/zinc/16/77/69/271167769.db2.gz DSTWHAXBGMGDPW-KRWDZBQOSA-N 3 1 309.542 3.161 20 0 DGADMP Cc1noc(C2CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC000368648977 271186067 /nfs/dbraw/zinc/18/60/67/271186067.db2.gz ZADPUTWTUDRDPW-UHFFFAOYSA-N 2 1 308.470 3.113 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000369724103 271315280 /nfs/dbraw/zinc/31/52/80/271315280.db2.gz ZNCXELDUHYMTRH-UHFFFAOYSA-N 2 1 318.509 3.218 20 0 DGADMP COCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370650869 271378902 /nfs/dbraw/zinc/37/89/02/271378902.db2.gz NUILJPNDBMNANA-UHFFFAOYSA-N 2 1 302.462 3.011 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000270537346 432256407 /nfs/dbraw/zinc/25/64/07/432256407.db2.gz WUHNLEFCOJALIZ-IAGOWNOFSA-N 2 1 304.478 3.342 20 0 DGADMP CO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099331 274060658 /nfs/dbraw/zinc/06/06/58/274060658.db2.gz HQFUOFCFTVCPAF-DLBZAZTESA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099331 274060661 /nfs/dbraw/zinc/06/06/61/274060661.db2.gz HQFUOFCFTVCPAF-DLBZAZTESA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099331 274060663 /nfs/dbraw/zinc/06/06/63/274060663.db2.gz HQFUOFCFTVCPAF-DLBZAZTESA-N 2 1 308.853 3.055 20 0 DGADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000292099331 274060664 /nfs/dbraw/zinc/06/06/64/274060664.db2.gz HQFUOFCFTVCPAF-DLBZAZTESA-N 2 1 308.853 3.055 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000268819656 274132528 /nfs/dbraw/zinc/13/25/28/274132528.db2.gz NTRUDQCFBOCVPI-LIRRHRJNSA-N 2 1 300.446 3.147 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C2 ZINC000425935443 274153212 /nfs/dbraw/zinc/15/32/12/274153212.db2.gz DHEYICGCAXMUAI-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422767602 274255101 /nfs/dbraw/zinc/25/51/01/274255101.db2.gz SZFFSYYJZCNTHR-ZOWXZIJZSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000273319696 274255136 /nfs/dbraw/zinc/25/51/36/274255136.db2.gz YWKBQHWSPMGRDA-OGWHTMIXSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259104 274334855 /nfs/dbraw/zinc/33/48/55/274334855.db2.gz JMIHKUPMJJIDHA-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1 ZINC000275259104 274334856 /nfs/dbraw/zinc/33/48/56/274334856.db2.gz JMIHKUPMJJIDHA-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1 ZINC000275259104 274334857 /nfs/dbraw/zinc/33/48/57/274334857.db2.gz JMIHKUPMJJIDHA-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)cc1 ZINC000275259104 274334858 /nfs/dbraw/zinc/33/48/58/274334858.db2.gz JMIHKUPMJJIDHA-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC(C)(C)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000193140623 274703889 /nfs/dbraw/zinc/70/38/89/274703889.db2.gz YXPXHRYQXSOJOP-SUMWQHHRSA-N 2 1 316.493 3.477 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000247974779 432259243 /nfs/dbraw/zinc/25/92/43/432259243.db2.gz HQWHIKASWQULCW-IEZWGBDMSA-N 2 1 319.468 3.114 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCO[C@@H](C(C)C)C3)CC2)[nH+]1 ZINC000345052260 274793425 /nfs/dbraw/zinc/79/34/25/274793425.db2.gz BKHVSUOLBWYVCV-ZWKOTPCHSA-N 2 1 317.477 3.152 20 0 DGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCO[C@H](C(C)C)C3)CC2)[nH+]1 ZINC000345052257 274793451 /nfs/dbraw/zinc/79/34/51/274793451.db2.gz BKHVSUOLBWYVCV-ROUUACIJSA-N 2 1 317.477 3.152 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423004721 287793526 /nfs/dbraw/zinc/79/35/26/287793526.db2.gz PWRAYAQJBAZXGM-SBUWESJJSA-N 2 1 314.473 3.372 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C2 ZINC000423499616 274882211 /nfs/dbraw/zinc/88/22/11/274882211.db2.gz CFRSWNUQSNJJOK-GBESFXJTSA-N 2 1 312.844 3.152 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000474069587 275389926 /nfs/dbraw/zinc/38/99/26/275389926.db2.gz WKFPHNCFYXOHBQ-IYWMVGAKSA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000474069587 275389927 /nfs/dbraw/zinc/38/99/27/275389927.db2.gz WKFPHNCFYXOHBQ-IYWMVGAKSA-N 2 1 320.521 3.436 20 0 DGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422906434 275663007 /nfs/dbraw/zinc/66/30/07/275663007.db2.gz VEBZMVHSGXEMDL-GJZGRUSLSA-N 2 1 316.367 3.462 20 0 DGADMP CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422988125 275872351 /nfs/dbraw/zinc/87/23/51/275872351.db2.gz IGEXGBCFIYEIHW-ADXGEFSYSA-N 2 1 308.510 3.196 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCCC[C@H]3N)CC2)CC1 ZINC000422963239 275935941 /nfs/dbraw/zinc/93/59/41/275935941.db2.gz FIMXVSWYZXFPIE-CSODTCANSA-N 2 1 307.526 3.279 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422747636 276075988 /nfs/dbraw/zinc/07/59/88/276075988.db2.gz ZDTHYJBTPMFZPB-VAMGGRTRSA-N 3 1 315.505 3.149 20 0 DGADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422747636 276075989 /nfs/dbraw/zinc/07/59/89/276075989.db2.gz ZDTHYJBTPMFZPB-VAMGGRTRSA-N 2 1 315.505 3.149 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422747636 276075990 /nfs/dbraw/zinc/07/59/90/276075990.db2.gz ZDTHYJBTPMFZPB-VAMGGRTRSA-N 2 1 315.505 3.149 20 0 DGADMP CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411745984 276159799 /nfs/dbraw/zinc/15/97/99/276159799.db2.gz NNNDKWLCFYVJBH-SFHVURJKSA-N 2 1 302.462 3.018 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217192 /nfs/dbraw/zinc/21/71/92/276217192.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217193 /nfs/dbraw/zinc/21/71/93/276217193.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217194 /nfs/dbraw/zinc/21/71/94/276217194.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 3 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217195 /nfs/dbraw/zinc/21/71/95/276217195.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217196 /nfs/dbraw/zinc/21/71/96/276217196.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217197 /nfs/dbraw/zinc/21/71/97/276217197.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217198 /nfs/dbraw/zinc/21/71/98/276217198.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217199 /nfs/dbraw/zinc/21/71/99/276217199.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000246836691 276217200 /nfs/dbraw/zinc/21/72/00/276217200.db2.gz ARHIJUGODGPOQD-FXAWDEMLSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000268932868 276229684 /nfs/dbraw/zinc/22/96/84/276229684.db2.gz YBEICWJIIODOEG-COXVUDFISA-N 2 1 310.869 3.347 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452058211 276325544 /nfs/dbraw/zinc/32/55/44/276325544.db2.gz HSQCHLKCMFBIPX-MRXNPFEDSA-N 2 1 310.507 3.273 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556232 277043640 /nfs/dbraw/zinc/04/36/40/277043640.db2.gz SKFICVDWKRXRJV-QZTJIDSGSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556232 277043641 /nfs/dbraw/zinc/04/36/41/277043641.db2.gz SKFICVDWKRXRJV-QZTJIDSGSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556232 277043643 /nfs/dbraw/zinc/04/36/43/277043643.db2.gz SKFICVDWKRXRJV-QZTJIDSGSA-N 2 1 306.494 3.142 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000449784396 277174216 /nfs/dbraw/zinc/17/42/16/277174216.db2.gz WRFGYJPXEKQELP-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP CC(C)(C)OC(=O)C1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000449784396 277174217 /nfs/dbraw/zinc/17/42/17/277174217.db2.gz WRFGYJPXEKQELP-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000268845920 277277158 /nfs/dbraw/zinc/27/71/58/277277158.db2.gz AIIFHRZJRDYPLY-CVEARBPZSA-N 2 1 316.445 3.425 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411398674 277319628 /nfs/dbraw/zinc/31/96/28/277319628.db2.gz JWWYREZWANEBAB-LJQANCHMSA-N 2 1 316.489 3.408 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245945377 277397148 /nfs/dbraw/zinc/39/71/48/277397148.db2.gz VPNLOZBZLIMKBB-XMTFNYHQSA-N 2 1 308.510 3.148 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423000573 277397338 /nfs/dbraw/zinc/39/73/38/277397338.db2.gz VOOTUANJTBTAGJ-LZQZEXGQSA-N 2 1 301.478 3.089 20 0 DGADMP COc1c(C)c[nH+]c(CN(CCC[NH3+])Cc2ccccc2)c1C ZINC000303989688 277782302 /nfs/dbraw/zinc/78/23/02/277782302.db2.gz ROSAKCCVRFJWSZ-UHFFFAOYSA-N 2 1 313.445 3.058 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc2)c1 ZINC000423315457 278014074 /nfs/dbraw/zinc/01/40/74/278014074.db2.gz ISXYUZLXEMSQCI-UXHICEINSA-N 2 1 310.441 3.306 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000268791639 278047379 /nfs/dbraw/zinc/04/73/79/278047379.db2.gz GNXARJRKEWEKRF-HLLBOEOZSA-N 2 1 302.462 3.045 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422839011 278283005 /nfs/dbraw/zinc/28/30/05/278283005.db2.gz PLHRYUAMSVDELP-ZULIPRJHSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(-n2cccn2)c1 ZINC000297340999 278335419 /nfs/dbraw/zinc/33/54/19/278335419.db2.gz DLVWBUVRAYVFQI-OAHLLOKOSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCCO2 ZINC000459791892 278348448 /nfs/dbraw/zinc/34/84/48/278348448.db2.gz SBUBKTYBHSJQJZ-HZPDHXFCSA-N 2 1 318.461 3.230 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000248170090 278388284 /nfs/dbraw/zinc/38/82/84/278388284.db2.gz UOQHNCQPFJCQBH-LPHOPBHVSA-N 2 1 316.489 3.236 20 0 DGADMP CC(C)C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000442889444 279001686 /nfs/dbraw/zinc/00/16/86/279001686.db2.gz KGEUKTKNNOMQAX-LJQANCHMSA-N 2 1 317.521 3.389 20 0 DGADMP CCN(CC)CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298231 279103339 /nfs/dbraw/zinc/10/33/39/279103339.db2.gz HDCHEURSGHAXCU-QGZVFWFLSA-N 2 1 323.550 3.282 20 0 DGADMP CCN(CC)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298231 279103340 /nfs/dbraw/zinc/10/33/40/279103340.db2.gz HDCHEURSGHAXCU-QGZVFWFLSA-N 2 1 323.550 3.282 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+](C)C ZINC000425943852 279349627 /nfs/dbraw/zinc/34/96/27/279349627.db2.gz KEZCNGGMSXDRTH-BXUZGUMPSA-N 2 1 315.383 3.265 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000111380766 431215508 /nfs/dbraw/zinc/21/55/08/431215508.db2.gz VTKXQBVMEYEOAP-ZDUSSCGKSA-N 2 1 302.340 3.289 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000072860001 431353869 /nfs/dbraw/zinc/35/38/69/431353869.db2.gz NFBKCSWDHKMZPR-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000072860001 431353879 /nfs/dbraw/zinc/35/38/79/431353879.db2.gz NFBKCSWDHKMZPR-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000072860001 431353884 /nfs/dbraw/zinc/35/38/84/431353884.db2.gz NFBKCSWDHKMZPR-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000072860001 431353889 /nfs/dbraw/zinc/35/38/89/431353889.db2.gz NFBKCSWDHKMZPR-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[N@@H+](Cc1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155332 431529403 /nfs/dbraw/zinc/52/94/03/431529403.db2.gz LQHRDKGCNDNGSE-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP CC[N@H+](Cc1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155332 431529407 /nfs/dbraw/zinc/52/94/07/431529407.db2.gz LQHRDKGCNDNGSE-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155332 431529417 /nfs/dbraw/zinc/52/94/17/431529417.db2.gz LQHRDKGCNDNGSE-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155332 431529424 /nfs/dbraw/zinc/52/94/24/431529424.db2.gz LQHRDKGCNDNGSE-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP Cc1cnn(CCCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836505 431501496 /nfs/dbraw/zinc/50/14/96/431501496.db2.gz YWCVNAGTZVXRBY-LJQANCHMSA-N 2 1 318.509 3.170 20 0 DGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000414070632 280185461 /nfs/dbraw/zinc/18/54/61/280185461.db2.gz CMMJUKZFMZEQDM-IAGOWNOFSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120459937 431728495 /nfs/dbraw/zinc/72/84/95/431728495.db2.gz JTKXWBVDHIVGOW-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000120459937 431728500 /nfs/dbraw/zinc/72/85/00/431728500.db2.gz JTKXWBVDHIVGOW-FQEVSTJZSA-N 2 1 315.505 3.115 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OCC)c(OC)c2)CC1 ZINC000079000061 431714413 /nfs/dbraw/zinc/71/44/13/431714413.db2.gz WVTQKOHVELKVKO-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121696525 431802517 /nfs/dbraw/zinc/80/25/17/431802517.db2.gz XHVWUIPWFWDOIS-FJIDUMEYSA-N 2 1 306.494 3.044 20 0 DGADMP Cc1ccc(COc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC000032069530 431772619 /nfs/dbraw/zinc/77/26/19/431772619.db2.gz JXCWFHKBEBXTLM-UHFFFAOYSA-N 2 1 310.441 3.497 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000122857788 431847203 /nfs/dbraw/zinc/84/72/03/431847203.db2.gz UMDXNCQHLSQEDQ-CQSZACIVSA-N 2 1 318.461 3.119 20 0 DGADMP C[N@H+]1CCCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000122899320 431847820 /nfs/dbraw/zinc/84/78/20/431847820.db2.gz GNCNMUXRMADJAG-UHFFFAOYSA-N 2 1 309.335 3.396 20 0 DGADMP C[N@H+]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000122899320 431847823 /nfs/dbraw/zinc/84/78/23/431847823.db2.gz GNCNMUXRMADJAG-UHFFFAOYSA-N 2 1 309.335 3.396 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000037643861 431848392 /nfs/dbraw/zinc/84/83/92/431848392.db2.gz ZEYYGZUBDSVLGU-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000037643723 431849185 /nfs/dbraw/zinc/84/91/85/431849185.db2.gz FBVKLGOFVXPPME-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000037643723 431849186 /nfs/dbraw/zinc/84/91/86/431849186.db2.gz FBVKLGOFVXPPME-LLVKDONJSA-N 2 1 315.230 3.020 20 0 DGADMP CC1(C)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@@H]1c1ccccc1 ZINC000123003751 431851921 /nfs/dbraw/zinc/85/19/21/431851921.db2.gz RIOMRWZXTDSPGQ-RTBURBONSA-N 2 1 316.489 3.005 20 0 DGADMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125244723 431918424 /nfs/dbraw/zinc/91/84/24/431918424.db2.gz NRTYYYFHFIFEHT-LJQANCHMSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125244723 431918427 /nfs/dbraw/zinc/91/84/27/431918427.db2.gz NRTYYYFHFIFEHT-LJQANCHMSA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125244723 431918429 /nfs/dbraw/zinc/91/84/29/431918429.db2.gz NRTYYYFHFIFEHT-LJQANCHMSA-N 2 1 312.461 3.182 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124196685 431885924 /nfs/dbraw/zinc/88/59/24/431885924.db2.gz INWYVPFEPKDBPH-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cc(OC)ccc3o2)C1 ZINC000124196685 431885927 /nfs/dbraw/zinc/88/59/27/431885927.db2.gz INWYVPFEPKDBPH-CQSZACIVSA-N 2 1 302.418 3.263 20 0 DGADMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000124317228 431889808 /nfs/dbraw/zinc/88/98/08/431889808.db2.gz DWYONTUNUSKSOK-HXUWFJFHSA-N 2 1 317.521 3.391 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124346348 431890685 /nfs/dbraw/zinc/89/06/85/431890685.db2.gz OLHNVZDMGDMZEV-WBVHZDCISA-N 2 1 302.462 3.090 20 0 DGADMP C[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000124353475 431891831 /nfs/dbraw/zinc/89/18/31/431891831.db2.gz MJXSFQVQTNWYPF-MRXNPFEDSA-N 2 1 301.478 3.201 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000090720697 431895311 /nfs/dbraw/zinc/89/53/11/431895311.db2.gz IYHQQMULJDPEBE-WCQYABFASA-N 2 1 302.340 3.158 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000090806271 431895733 /nfs/dbraw/zinc/89/57/33/431895733.db2.gz BCAOVMPSULIEBY-JKIFEVAISA-N 2 1 310.869 3.175 20 0 DGADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090937742 431898018 /nfs/dbraw/zinc/89/80/18/431898018.db2.gz DGNNXMJLOGIQIT-NCOADZHNSA-N 2 1 320.477 3.028 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)[C@H](C)C1 ZINC000090948618 431898758 /nfs/dbraw/zinc/89/87/58/431898758.db2.gz DNLWEOSPWOTJCI-UKRRQHHQSA-N 2 1 309.523 3.303 20 0 DGADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000124608467 431899395 /nfs/dbraw/zinc/89/93/95/431899395.db2.gz KNXRDNPEVAQCFS-HNNXBMFYSA-N 2 1 303.475 3.088 20 0 DGADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000124608467 431899396 /nfs/dbraw/zinc/89/93/96/431899396.db2.gz KNXRDNPEVAQCFS-HNNXBMFYSA-N 2 1 303.475 3.088 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@H](C)C1 ZINC000124852702 431906658 /nfs/dbraw/zinc/90/66/58/431906658.db2.gz HUTMRYPJDYXSOM-PBHICJAKSA-N 2 1 313.445 3.063 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1cccs1 ZINC000127515433 431974594 /nfs/dbraw/zinc/97/45/94/431974594.db2.gz NQAXOAZEHRFMDH-DOTOQJQBSA-N 2 1 306.475 3.067 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C2CC2)cc1 ZINC000098144165 431979527 /nfs/dbraw/zinc/97/95/27/431979527.db2.gz DEQGXZSMCOELGH-PMACEKPBSA-N 2 1 316.489 3.129 20 0 DGADMP C[NH+](C)C[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000125521973 431928363 /nfs/dbraw/zinc/92/83/63/431928363.db2.gz FCVKTRKBPVMCAV-LJQANCHMSA-N 2 1 317.521 3.028 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000125873572 431938219 /nfs/dbraw/zinc/93/82/19/431938219.db2.gz FYAYUYMOLBRQDI-GOSISDBHSA-N 2 1 315.505 3.365 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000126312483 431947236 /nfs/dbraw/zinc/94/72/36/431947236.db2.gz HXPLJNOQFCGRGS-MSOLQXFVSA-N 2 1 324.415 3.259 20 0 DGADMP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000126372294 431948744 /nfs/dbraw/zinc/94/87/44/431948744.db2.gz YNMQSFDWQYYMED-UHFFFAOYSA-N 2 1 303.494 3.447 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000126491721 431951334 /nfs/dbraw/zinc/95/13/34/431951334.db2.gz PAPFRJICRVNDHE-KRWDZBQOSA-N 2 1 314.473 3.497 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000270670813 432273282 /nfs/dbraw/zinc/27/32/82/432273282.db2.gz WFMYZFRTHMGRDF-YRWFTTLQSA-N 2 1 311.473 3.271 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248172719 432274497 /nfs/dbraw/zinc/27/44/97/432274497.db2.gz VBVLNVNDTNLRLT-ZWKOTPCHSA-N 2 1 302.462 3.098 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1C ZINC000248214783 432275232 /nfs/dbraw/zinc/27/52/32/432275232.db2.gz ZKLAUURCPLIXAX-ROUUACIJSA-N 2 1 304.478 3.191 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)CC3CCCCC3)C2)CC1 ZINC000183330781 432283542 /nfs/dbraw/zinc/28/35/42/432283542.db2.gz SZDMUVCLSONZAB-ICSRJNTNSA-N 2 1 321.553 3.305 20 0 DGADMP CCOCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248399119 432284837 /nfs/dbraw/zinc/28/48/37/432284837.db2.gz JQPGCCYTBMRPMV-VAMGGRTRSA-N 2 1 316.489 3.303 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248409662 432286790 /nfs/dbraw/zinc/28/67/90/432286790.db2.gz XCFYBGMXKJJJOK-IYWMVGAKSA-N 2 1 316.489 3.038 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1(C)C ZINC000248411799 432287106 /nfs/dbraw/zinc/28/71/06/432287106.db2.gz ZRSCIWGZLPPAHG-MXSMSXNCSA-N 2 1 308.510 3.433 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000151949525 432293026 /nfs/dbraw/zinc/29/30/26/432293026.db2.gz WFGQSXXVPXYABU-ZWKOTPCHSA-N 2 1 321.553 3.494 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)C ZINC000248454132 432293719 /nfs/dbraw/zinc/29/37/19/432293719.db2.gz QXHRUSMLGPFGJQ-OALUTQOASA-N 2 1 304.478 3.168 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248457112 432294518 /nfs/dbraw/zinc/29/45/18/432294518.db2.gz SUHIMECWQQQNJV-DYESRHJHSA-N 2 1 324.468 3.412 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781910 432299609 /nfs/dbraw/zinc/29/96/09/432299609.db2.gz PFRRPZYIXOYZEX-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP Fc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000152104443 432303982 /nfs/dbraw/zinc/30/39/82/432303982.db2.gz BJDMJPMWKXYDBZ-MRXNPFEDSA-N 2 1 308.416 3.458 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000152104443 432303984 /nfs/dbraw/zinc/30/39/84/432303984.db2.gz BJDMJPMWKXYDBZ-MRXNPFEDSA-N 2 1 308.416 3.458 20 0 DGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248058744 432266095 /nfs/dbraw/zinc/26/60/95/432266095.db2.gz XUFJZKYMKLMMRN-RVKKMQEKSA-N 2 1 314.477 3.053 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183189591 432266220 /nfs/dbraw/zinc/26/62/20/432266220.db2.gz JTIAXJICFNPWPA-OWCLPIDISA-N 2 1 324.509 3.349 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000248066326 432266218 /nfs/dbraw/zinc/26/62/18/432266218.db2.gz ZNILKXQKLYNDBH-QXAKKESOSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248830999 432321767 /nfs/dbraw/zinc/32/17/67/432321767.db2.gz MLNXSAKDOQCLIO-VKSUQKOCSA-N 2 1 302.462 3.225 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000152389178 432329763 /nfs/dbraw/zinc/32/97/63/432329763.db2.gz UUYUERGZWOGEHZ-GJZGRUSLSA-N 2 1 318.461 3.147 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152431060 432332141 /nfs/dbraw/zinc/33/21/41/432332141.db2.gz YNBISHBTBZQIJO-GXTWGEPZSA-N 2 1 305.491 3.157 20 0 DGADMP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192087230 432332242 /nfs/dbraw/zinc/33/22/42/432332242.db2.gz RKAFSGFPJYGFNI-LSDHHAIUSA-N 2 1 317.477 3.373 20 0 DGADMP COC[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249046018 432334588 /nfs/dbraw/zinc/33/45/88/432334588.db2.gz WAPDLCUUZOBBDU-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccs1 ZINC000249489193 432348083 /nfs/dbraw/zinc/34/80/83/432348083.db2.gz XXBMAVKOKBYQKU-YOEHRIQHSA-N 2 1 319.449 3.455 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccs1 ZINC000249489193 432348086 /nfs/dbraw/zinc/34/80/86/432348086.db2.gz XXBMAVKOKBYQKU-YOEHRIQHSA-N 2 1 319.449 3.455 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000248592112 432304666 /nfs/dbraw/zinc/30/46/66/432304666.db2.gz ZHDJJIZENVPDSM-ZWKOTPCHSA-N 2 1 308.510 3.388 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc21 ZINC000248649288 432309529 /nfs/dbraw/zinc/30/95/29/432309529.db2.gz VJJPLHOGEFMWEK-IRXDYDNUSA-N 2 1 315.436 3.076 20 0 DGADMP Brc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674880 432386516 /nfs/dbraw/zinc/38/65/16/432386516.db2.gz VBVMGVMVXYHHBR-RYUDHWBXSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674880 432386521 /nfs/dbraw/zinc/38/65/21/432386521.db2.gz VBVMGVMVXYHHBR-RYUDHWBXSA-N 2 1 315.280 3.227 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249990850 432362546 /nfs/dbraw/zinc/36/25/46/432362546.db2.gz ZSSNHHCPILYBJM-IPMKNSEASA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)c1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261628682 432435921 /nfs/dbraw/zinc/43/59/21/432435921.db2.gz FBQZKCCZFJSLNA-WBVHZDCISA-N 2 1 315.486 3.441 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192988100 432437098 /nfs/dbraw/zinc/43/70/98/432437098.db2.gz KOQJBFPFPNBVQP-MQVJKMGUSA-N 2 1 323.278 3.472 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCC ZINC000261639479 432437427 /nfs/dbraw/zinc/43/74/27/432437427.db2.gz GGKBZCCYAWUPKF-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCC ZINC000261639479 432437430 /nfs/dbraw/zinc/43/74/30/432437430.db2.gz GGKBZCCYAWUPKF-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000261663784 432439252 /nfs/dbraw/zinc/43/92/52/432439252.db2.gz HCMMLCFSRIGVGQ-CVEARBPZSA-N 2 1 302.368 3.139 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000261663784 432439257 /nfs/dbraw/zinc/43/92/57/432439257.db2.gz HCMMLCFSRIGVGQ-CVEARBPZSA-N 2 1 302.368 3.139 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000261777205 432447499 /nfs/dbraw/zinc/44/74/99/432447499.db2.gz RLQCYGLKTARYAR-FGTMMUONSA-N 2 1 319.493 3.317 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]12 ZINC000261802104 432450197 /nfs/dbraw/zinc/45/01/97/432450197.db2.gz HBDHAZPDPVXYBG-IAOVAPTHSA-N 2 1 320.864 3.298 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]12 ZINC000261802104 432450202 /nfs/dbraw/zinc/45/02/02/432450202.db2.gz HBDHAZPDPVXYBG-IAOVAPTHSA-N 2 1 320.864 3.298 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C\c2ccc(F)cc2)C[C@H](C)O1 ZINC000255404791 432409429 /nfs/dbraw/zinc/40/94/29/432409429.db2.gz CZPBHVZDEHZOND-YKZUCCNHSA-N 2 1 320.452 3.318 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]21 ZINC000262059022 432471117 /nfs/dbraw/zinc/47/11/17/432471117.db2.gz DTUYDWMBEWYZCW-TYNCELHUSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]21 ZINC000262059022 432471120 /nfs/dbraw/zinc/47/11/20/432471120.db2.gz DTUYDWMBEWYZCW-TYNCELHUSA-N 2 1 316.342 3.404 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000262105314 432473672 /nfs/dbraw/zinc/47/36/72/432473672.db2.gz JFWFZPNCKVFOOQ-IPMKNSEASA-N 2 1 303.494 3.177 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000262131709 432475606 /nfs/dbraw/zinc/47/56/06/432475606.db2.gz LMRHQGYEGHYKOH-FPMFFAJLSA-N 2 1 314.351 3.144 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000262131709 432475609 /nfs/dbraw/zinc/47/56/09/432475609.db2.gz LMRHQGYEGHYKOH-FPMFFAJLSA-N 2 1 314.351 3.144 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1c1ccccc1 ZINC000262306174 432480731 /nfs/dbraw/zinc/48/07/31/432480731.db2.gz YHVSVKNVOXGXBB-CVEARBPZSA-N 2 1 302.368 3.139 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1c1ccccc1 ZINC000262306174 432480734 /nfs/dbraw/zinc/48/07/34/432480734.db2.gz YHVSVKNVOXGXBB-CVEARBPZSA-N 2 1 302.368 3.139 20 0 DGADMP Cc1cccc2c(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c(C)c[nH+]c12 ZINC000185301292 432486960 /nfs/dbraw/zinc/48/69/60/432486960.db2.gz MGIUYQABQWMXAJ-MRXNPFEDSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1cccc2c(NC[C@@H]3C[N@H+](C4CC4)CCO3)c(C)c[nH+]c12 ZINC000185301292 432486961 /nfs/dbraw/zinc/48/69/61/432486961.db2.gz MGIUYQABQWMXAJ-MRXNPFEDSA-N 2 1 311.429 3.127 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262563361 432491759 /nfs/dbraw/zinc/49/17/59/432491759.db2.gz WBEFXZXEDSFOKF-UEEZHKSASA-N 2 1 314.351 3.315 20 0 DGADMP C[C@H](CC[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387100 432492163 /nfs/dbraw/zinc/49/21/63/432492163.db2.gz GFZBFUDRNMXLLG-RSPOEFSDSA-N 2 1 315.505 3.112 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000154449306 432499615 /nfs/dbraw/zinc/49/96/15/432499615.db2.gz WHLYEAVDGSYPAD-LJQANCHMSA-N 2 1 317.521 3.372 20 0 DGADMP Cc1cccnc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272441468 432502462 /nfs/dbraw/zinc/50/24/62/432502462.db2.gz ITUMWPQKEXTWMF-MJGOQNOKSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cccnc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441468 432502466 /nfs/dbraw/zinc/50/24/66/432502466.db2.gz ITUMWPQKEXTWMF-MJGOQNOKSA-N 2 1 309.457 3.390 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000154528343 432504813 /nfs/dbraw/zinc/50/48/13/432504813.db2.gz MZLURTRTPBFIAZ-HXUWFJFHSA-N 2 1 315.505 3.071 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCOCC2CC2)C3)cc1 ZINC000272450275 432504866 /nfs/dbraw/zinc/50/48/66/432504866.db2.gz VTVRLBNVCQDOGJ-OWZKRDHZSA-N 2 1 314.473 3.198 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccsc1 ZINC000154015508 432464572 /nfs/dbraw/zinc/46/45/72/432464572.db2.gz CJRVRWIJQJHWCA-NJAFHUGGSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)c1ccsc1 ZINC000154015508 432464576 /nfs/dbraw/zinc/46/45/76/432464576.db2.gz CJRVRWIJQJHWCA-NJAFHUGGSA-N 2 1 323.550 3.451 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccsc1 ZINC000154015508 432464579 /nfs/dbraw/zinc/46/45/79/432464579.db2.gz CJRVRWIJQJHWCA-NJAFHUGGSA-N 2 1 323.550 3.451 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011280 432464744 /nfs/dbraw/zinc/46/47/44/432464744.db2.gz MSWVHYRHKAVADM-OIISXLGYSA-N 2 1 309.523 3.203 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261965541 432465905 /nfs/dbraw/zinc/46/59/05/432465905.db2.gz PWODCANCSCYNPH-LJQANCHMSA-N 2 1 310.445 3.020 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261965541 432465908 /nfs/dbraw/zinc/46/59/08/432465908.db2.gz PWODCANCSCYNPH-LJQANCHMSA-N 2 1 310.445 3.020 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]21 ZINC000262058997 432470945 /nfs/dbraw/zinc/47/09/45/432470945.db2.gz DTUYDWMBEWYZCW-LALPHHSUSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]21 ZINC000262058997 432470948 /nfs/dbraw/zinc/47/09/48/432470948.db2.gz DTUYDWMBEWYZCW-LALPHHSUSA-N 2 1 316.342 3.404 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C ZINC000193987023 432515899 /nfs/dbraw/zinc/51/58/99/432515899.db2.gz MVASXDQGQFRZME-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C ZINC000193987023 432515902 /nfs/dbraw/zinc/51/59/02/432515902.db2.gz MVASXDQGQFRZME-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000154844506 432524937 /nfs/dbraw/zinc/52/49/37/432524937.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 3 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154844506 432524939 /nfs/dbraw/zinc/52/49/39/432524939.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154844506 432524942 /nfs/dbraw/zinc/52/49/42/432524942.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000154844506 432524943 /nfs/dbraw/zinc/52/49/43/432524943.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000154844506 432524947 /nfs/dbraw/zinc/52/49/47/432524947.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000154844506 432524949 /nfs/dbraw/zinc/52/49/49/432524949.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000154844506 432524951 /nfs/dbraw/zinc/52/49/51/432524951.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154844506 432524954 /nfs/dbraw/zinc/52/49/54/432524954.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154844506 432524957 /nfs/dbraw/zinc/52/49/57/432524957.db2.gz VMFAPEFZCBEWSQ-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000154844694 432525383 /nfs/dbraw/zinc/52/53/83/432525383.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 3 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154844694 432525385 /nfs/dbraw/zinc/52/53/85/432525385.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154844694 432525392 /nfs/dbraw/zinc/52/53/92/432525392.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000154844694 432525395 /nfs/dbraw/zinc/52/53/95/432525395.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000154844694 432525398 /nfs/dbraw/zinc/52/53/98/432525398.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000154844694 432525402 /nfs/dbraw/zinc/52/54/02/432525402.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000154844694 432525404 /nfs/dbraw/zinc/52/54/04/432525404.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154844694 432525407 /nfs/dbraw/zinc/52/54/07/432525407.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154844694 432525409 /nfs/dbraw/zinc/52/54/09/432525409.db2.gz VMFAPEFZCBEWSQ-APWZRJJASA-N 2 1 303.494 3.099 20 0 DGADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195135849 432606819 /nfs/dbraw/zinc/60/68/19/432606819.db2.gz HLTJHGMNMVHHKX-WMZOPIPTSA-N 2 1 312.461 3.076 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135893 432607845 /nfs/dbraw/zinc/60/78/45/432607845.db2.gz YERRLHSTVGMRML-DOTOQJQBSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000195135893 432607848 /nfs/dbraw/zinc/60/78/48/432607848.db2.gz YERRLHSTVGMRML-DOTOQJQBSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1Cl ZINC000177302904 432609427 /nfs/dbraw/zinc/60/94/27/432609427.db2.gz ZFKMWZCYALVDQC-OAHLLOKOSA-N 2 1 309.885 3.018 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000156496110 432598107 /nfs/dbraw/zinc/59/81/07/432598107.db2.gz REIXJTZGZQLIBD-AAEUAGOBSA-N 2 1 316.367 3.286 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000156496110 432598111 /nfs/dbraw/zinc/59/81/11/432598111.db2.gz REIXJTZGZQLIBD-AAEUAGOBSA-N 2 1 316.367 3.286 20 0 DGADMP C[C@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686504 432603801 /nfs/dbraw/zinc/60/38/01/432603801.db2.gz BNINJAFPIVTWCY-ROUUACIJSA-N 2 1 307.526 3.248 20 0 DGADMP COC[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000157874698 432630245 /nfs/dbraw/zinc/63/02/45/432630245.db2.gz IHTRJAXZPOVUKR-QUCCMNQESA-N 2 1 318.505 3.488 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1COc2ccccc2O1 ZINC000195632328 432631745 /nfs/dbraw/zinc/63/17/45/432631745.db2.gz IPLUZJBFNCNZFS-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1COc2ccccc2O1 ZINC000195632328 432631749 /nfs/dbraw/zinc/63/17/49/432631749.db2.gz IPLUZJBFNCNZFS-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP CCCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000158162175 432638279 /nfs/dbraw/zinc/63/82/79/432638279.db2.gz XCZMFIPOPKIVLR-UHFFFAOYSA-N 2 1 303.494 3.449 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000158882979 432661279 /nfs/dbraw/zinc/66/12/79/432661279.db2.gz BANYEWZFZFBNNQ-ROUUACIJSA-N 2 1 304.478 3.047 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000158911759 432663206 /nfs/dbraw/zinc/66/32/06/432663206.db2.gz YWMJDFHXERNKHR-HKUYNNGSSA-N 2 1 304.478 3.047 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219574648 432663925 /nfs/dbraw/zinc/66/39/25/432663925.db2.gz DJBPFWDHFRDLOH-UHFFFAOYSA-N 2 1 304.356 3.407 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000177836540 432667344 /nfs/dbraw/zinc/66/73/44/432667344.db2.gz UEDKREWYMJBOOK-NYHFZMIOSA-N 2 1 322.518 3.195 20 0 DGADMP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000274812118 432712408 /nfs/dbraw/zinc/71/24/08/432712408.db2.gz YDGWLMWIIPIUHY-UHFFFAOYSA-N 2 1 316.489 3.411 20 0 DGADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274845705 432714496 /nfs/dbraw/zinc/71/44/96/432714496.db2.gz PTMBVWKODTZEGZ-FXAWDEMLSA-N 2 1 309.457 3.390 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178335710 432721481 /nfs/dbraw/zinc/72/14/81/432721481.db2.gz TVBQEJLSIGMFBU-LNLFQRSKSA-N 2 1 304.478 3.444 20 0 DGADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178335710 432721485 /nfs/dbraw/zinc/72/14/85/432721485.db2.gz TVBQEJLSIGMFBU-LNLFQRSKSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928814 432721903 /nfs/dbraw/zinc/72/19/03/432721903.db2.gz QLCFIUXKJWCFHB-QXAKKESOSA-N 2 1 318.505 3.284 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)s3)C[C@@H]21 ZINC000230049058 432724313 /nfs/dbraw/zinc/72/43/13/432724313.db2.gz ARMGQNRKMQDXMT-ZMLRMANQSA-N 2 1 315.280 3.070 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)s3)C[C@@H]21 ZINC000230049058 432724318 /nfs/dbraw/zinc/72/43/18/432724318.db2.gz ARMGQNRKMQDXMT-ZMLRMANQSA-N 2 1 315.280 3.070 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000159253651 432676416 /nfs/dbraw/zinc/67/64/16/432676416.db2.gz USMLKGSBNLFQNY-APWZRJJASA-N 2 1 308.510 3.436 20 0 DGADMP COCCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969610 432680477 /nfs/dbraw/zinc/68/04/77/432680477.db2.gz AWZIULUZXILKFM-KRWDZBQOSA-N 2 1 304.478 3.098 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274559052 432682280 /nfs/dbraw/zinc/68/22/80/432682280.db2.gz FSDNKLHOYFJXTR-VIFPVBQESA-N 2 1 318.368 3.408 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000178705198 432768618 /nfs/dbraw/zinc/76/86/18/432768618.db2.gz PGIPKFGRFUJWJN-KDOFPFPSSA-N 2 1 315.486 3.448 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000178784979 432775606 /nfs/dbraw/zinc/77/56/06/432775606.db2.gz SNAAPEPFOVZYDQ-AWEZNQCLSA-N 2 1 317.433 3.340 20 0 DGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170712 432779649 /nfs/dbraw/zinc/77/96/49/432779649.db2.gz HDDYEEVWFVQKSZ-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170712 432779655 /nfs/dbraw/zinc/77/96/55/432779655.db2.gz HDDYEEVWFVQKSZ-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170712 432779660 /nfs/dbraw/zinc/77/96/60/432779660.db2.gz HDDYEEVWFVQKSZ-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170712 432779661 /nfs/dbraw/zinc/77/96/61/432779661.db2.gz HDDYEEVWFVQKSZ-IEBWSBKVSA-N 2 1 302.462 3.262 20 0 DGADMP COC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237166735 432779918 /nfs/dbraw/zinc/77/99/18/432779918.db2.gz KBEWSPPTIHEAKK-IXDOHACOSA-N 2 1 304.478 3.289 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000161492605 432781626 /nfs/dbraw/zinc/78/16/26/432781626.db2.gz OHVWVMJYWZSTJV-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CCOC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275661386 432738187 /nfs/dbraw/zinc/73/81/87/432738187.db2.gz GCNHFOZXAGDIIC-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275680908 432739704 /nfs/dbraw/zinc/73/97/04/432739704.db2.gz IENSMRLOAFLEND-SJLPKXTDSA-N 2 1 304.478 3.444 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275680908 432739706 /nfs/dbraw/zinc/73/97/06/432739706.db2.gz IENSMRLOAFLEND-SJLPKXTDSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000235365702 432743031 /nfs/dbraw/zinc/74/30/31/432743031.db2.gz YTTQYGGZUDLSFJ-TZMCWYRMSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000275744552 432745566 /nfs/dbraw/zinc/74/55/66/432745566.db2.gz QXZDMRLVNBCRGA-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP Clc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000236062051 432745999 /nfs/dbraw/zinc/74/59/99/432745999.db2.gz GSVCCILCEKXTAC-UHFFFAOYSA-N 2 1 317.658 3.334 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000276573243 432820071 /nfs/dbraw/zinc/82/00/71/432820071.db2.gz BOMRWQIQTFLINT-LBPRGKRZSA-N 2 1 322.250 3.175 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000276568396 432820198 /nfs/dbraw/zinc/82/01/98/432820198.db2.gz AYHZFONIGYCTFK-UHFFFAOYSA-N 2 1 316.493 3.033 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc2ccccc21 ZINC000267277568 432828576 /nfs/dbraw/zinc/82/85/76/432828576.db2.gz UOSPLYGXAPJJCO-INIZCTEOSA-N 2 1 312.457 3.337 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000161526418 432784806 /nfs/dbraw/zinc/78/48/06/432784806.db2.gz OGVKFDZVXQNORY-UHFFFAOYSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000161526259 432785227 /nfs/dbraw/zinc/78/52/27/432785227.db2.gz COHNVWMSDWRTBT-SCTDSRPQSA-N 2 1 304.478 3.472 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719811 432795699 /nfs/dbraw/zinc/79/56/99/432795699.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719811 432795703 /nfs/dbraw/zinc/79/57/03/432795703.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719811 432795707 /nfs/dbraw/zinc/79/57/07/432795707.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 3 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719811 432795712 /nfs/dbraw/zinc/79/57/12/432795712.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000161719811 432795715 /nfs/dbraw/zinc/79/57/15/432795715.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000161719811 432795721 /nfs/dbraw/zinc/79/57/21/432795721.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000161719811 432795724 /nfs/dbraw/zinc/79/57/24/432795724.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000161719811 432795727 /nfs/dbraw/zinc/79/57/27/432795727.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000161719811 432795731 /nfs/dbraw/zinc/79/57/31/432795731.db2.gz ACUZSUAIZGGKCV-MBOZVWFJSA-N 2 1 317.521 3.345 20 0 DGADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000162196793 432815258 /nfs/dbraw/zinc/81/52/58/432815258.db2.gz LOIXHLGBTYOTQW-IHWFROFDSA-N 2 1 324.472 3.014 20 0 DGADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000162196793 432815260 /nfs/dbraw/zinc/81/52/60/432815260.db2.gz LOIXHLGBTYOTQW-IHWFROFDSA-N 2 1 324.472 3.014 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000241132873 432815738 /nfs/dbraw/zinc/81/57/38/432815738.db2.gz JMPMXBCQLGXBPE-WOJBJXKFSA-N 2 1 316.489 3.134 20 0 DGADMP Cc1cc[nH+]c(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000268332868 432864775 /nfs/dbraw/zinc/86/47/75/432864775.db2.gz QEVDFFADWGZCIS-CALCHBBNSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cc[nH+]c(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000268332868 432864777 /nfs/dbraw/zinc/86/47/77/432864777.db2.gz QEVDFFADWGZCIS-CALCHBBNSA-N 2 1 317.477 3.106 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000245926016 432870124 /nfs/dbraw/zinc/87/01/24/432870124.db2.gz UCGGVAWUOOESLH-NZSAHSFTSA-N 2 1 308.510 3.266 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H](C)C2 ZINC000246026940 432874777 /nfs/dbraw/zinc/87/47/77/432874777.db2.gz VPRKHFLAHMWTQV-IMFGXOCKSA-N 2 1 316.489 3.055 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](COCc2ccccc2)C1 ZINC000163155180 432845434 /nfs/dbraw/zinc/84/54/34/432845434.db2.gz PWUSXUVVCOQSMM-RBUKOAKNSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000245574345 432846319 /nfs/dbraw/zinc/84/63/19/432846319.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000245574345 432846321 /nfs/dbraw/zinc/84/63/21/432846321.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000245574345 432846324 /nfs/dbraw/zinc/84/63/24/432846324.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 3 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000245574345 432846326 /nfs/dbraw/zinc/84/63/26/432846326.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000245574345 432846329 /nfs/dbraw/zinc/84/63/29/432846329.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000245574345 432846331 /nfs/dbraw/zinc/84/63/31/432846331.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000245574345 432846335 /nfs/dbraw/zinc/84/63/35/432846335.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@H](OCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000163372387 432850511 /nfs/dbraw/zinc/85/05/11/432850511.db2.gz GIESOWGBRPJLJG-DFEOGRTESA-N 2 1 304.478 3.473 20 0 DGADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000277446468 432852012 /nfs/dbraw/zinc/85/20/12/432852012.db2.gz KLGMJUQEPHEUSJ-GOSISDBHSA-N 2 1 312.461 3.003 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000277446468 432852014 /nfs/dbraw/zinc/85/20/14/432852014.db2.gz KLGMJUQEPHEUSJ-GOSISDBHSA-N 2 1 312.461 3.003 20 0 DGADMP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000278976864 432923119 /nfs/dbraw/zinc/92/31/19/432923119.db2.gz CPGWGYFNOUKFIL-DOTOQJQBSA-N 2 1 304.503 3.382 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1ccnc1C ZINC000278982662 432923504 /nfs/dbraw/zinc/92/35/04/432923504.db2.gz RGABKNDDSDOTPM-MRXNPFEDSA-N 2 1 307.825 3.164 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000278982662 432923508 /nfs/dbraw/zinc/92/35/08/432923508.db2.gz RGABKNDDSDOTPM-MRXNPFEDSA-N 2 1 307.825 3.164 20 0 DGADMP Cc1ccncc1CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000289259118 432939172 /nfs/dbraw/zinc/93/91/72/432939172.db2.gz MKZLIKGGSGNEOV-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000289259118 432939175 /nfs/dbraw/zinc/93/91/75/432939175.db2.gz MKZLIKGGSGNEOV-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289259118 432939176 /nfs/dbraw/zinc/93/91/76/432939176.db2.gz MKZLIKGGSGNEOV-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289259118 432939178 /nfs/dbraw/zinc/93/91/78/432939178.db2.gz MKZLIKGGSGNEOV-QUCCMNQESA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429554023 533692296 /nfs/dbraw/zinc/69/22/96/533692296.db2.gz RFZYYBACPUNJCA-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278788548 432900697 /nfs/dbraw/zinc/90/06/97/432900697.db2.gz DSGAGUQMJRZOEQ-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278845601 432907940 /nfs/dbraw/zinc/90/79/40/432907940.db2.gz QABMMUPWMOAIPS-IJXRJRJASA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000289095958 432921139 /nfs/dbraw/zinc/92/11/39/432921139.db2.gz BTUOSISVAFZRQI-JTDSTZFVSA-N 2 1 302.462 3.061 20 0 DGADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000278947793 432921586 /nfs/dbraw/zinc/92/15/86/432921586.db2.gz LABMSGHNYGAVOX-HKUYNNGSSA-N 2 1 309.457 3.365 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000289095959 432921742 /nfs/dbraw/zinc/92/17/42/432921742.db2.gz BTUOSISVAFZRQI-MDZRGWNJSA-N 2 1 302.462 3.061 20 0 DGADMP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)c1ccnn1C ZINC000297159333 432966690 /nfs/dbraw/zinc/96/66/90/432966690.db2.gz CSSKSPDESPMHBE-GFCCVEGCSA-N 2 1 315.808 3.110 20 0 DGADMP Cc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000349496677 432968535 /nfs/dbraw/zinc/96/85/35/432968535.db2.gz LHXNOIMJRAZXEP-DNVCBOLYSA-N 2 1 319.493 3.045 20 0 DGADMP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000289856658 432976962 /nfs/dbraw/zinc/97/69/62/432976962.db2.gz RKXZTRFPVDKXKH-HTZLVSCSSA-N 2 1 310.485 3.396 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000289978594 432980993 /nfs/dbraw/zinc/98/09/93/432980993.db2.gz ZLKREEUNEWAKFJ-MISYRCLQSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H](C)C1 ZINC000332337501 432998714 /nfs/dbraw/zinc/99/87/14/432998714.db2.gz WBDWCYVZHPBYCP-XOKHGSTOSA-N 2 1 317.477 3.191 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000297820823 433021377 /nfs/dbraw/zinc/02/13/77/433021377.db2.gz YXHDDJRPTZZHBG-VQTJNVASSA-N 2 1 321.424 3.027 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000341433795 433056301 /nfs/dbraw/zinc/05/63/01/433056301.db2.gz NZQQAHXXSDWIBW-ZBFHGGJFSA-N 2 1 306.450 3.229 20 0 DGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466270 433061114 /nfs/dbraw/zinc/06/11/14/433061114.db2.gz NGCJCCDPUYTWEA-RDJZCZTQSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466270 433061118 /nfs/dbraw/zinc/06/11/18/433061118.db2.gz NGCJCCDPUYTWEA-RDJZCZTQSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466270 433061122 /nfs/dbraw/zinc/06/11/22/433061122.db2.gz NGCJCCDPUYTWEA-RDJZCZTQSA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(C)C ZINC000290466270 433061128 /nfs/dbraw/zinc/06/11/28/433061128.db2.gz NGCJCCDPUYTWEA-RDJZCZTQSA-N 2 1 320.477 3.254 20 0 DGADMP CC(C)(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000341449915 433062378 /nfs/dbraw/zinc/06/23/78/433062378.db2.gz FKJBCZHIDUXWGR-MSOLQXFVSA-N 2 1 322.468 3.349 20 0 DGADMP c1ccc(N2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000280504352 433066305 /nfs/dbraw/zinc/06/63/05/433066305.db2.gz GKXOXKQEDPTEMQ-ICSRJNTNSA-N 2 1 313.489 3.119 20 0 DGADMP Cc1nccn1CCC[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290486697 433067613 /nfs/dbraw/zinc/06/76/13/433067613.db2.gz OHTIZRWWKWTBJY-UHFFFAOYSA-N 2 1 313.445 3.081 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290486697 433067619 /nfs/dbraw/zinc/06/76/19/433067619.db2.gz OHTIZRWWKWTBJY-UHFFFAOYSA-N 2 1 313.445 3.081 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290486697 433067628 /nfs/dbraw/zinc/06/76/28/433067628.db2.gz OHTIZRWWKWTBJY-UHFFFAOYSA-N 2 1 313.445 3.081 20 0 DGADMP CN(C)CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000298282596 433078389 /nfs/dbraw/zinc/07/83/89/433078389.db2.gz GWSGHVAIRYZSAW-SFHVURJKSA-N 2 1 318.509 3.006 20 0 DGADMP COCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CCC1 ZINC000361288718 433082183 /nfs/dbraw/zinc/08/21/83/433082183.db2.gz MSINVZOXPSHFTH-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000361288718 433082193 /nfs/dbraw/zinc/08/21/93/433082193.db2.gz MSINVZOXPSHFTH-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP COCC1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000361288718 433082201 /nfs/dbraw/zinc/08/22/01/433082201.db2.gz MSINVZOXPSHFTH-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cs2)[C@@H](C)C1 ZINC000453326694 433091273 /nfs/dbraw/zinc/09/12/73/433091273.db2.gz VIJIIDIYQJLSFC-RDJZCZTQSA-N 2 1 310.507 3.283 20 0 DGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000446754100 433098396 /nfs/dbraw/zinc/09/83/96/433098396.db2.gz VKQJMLUIQFQPJY-AZUAARDMSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000446754104 433098757 /nfs/dbraw/zinc/09/87/57/433098757.db2.gz VKQJMLUIQFQPJY-QUCCMNQESA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000354517161 433123111 /nfs/dbraw/zinc/12/31/11/433123111.db2.gz WXBGMPXTPBKWTD-IVSAIRAKSA-N 2 1 320.477 3.268 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000354517161 433123121 /nfs/dbraw/zinc/12/31/21/433123121.db2.gz WXBGMPXTPBKWTD-IVSAIRAKSA-N 2 1 320.477 3.268 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1N(C)C ZINC000453397887 433154158 /nfs/dbraw/zinc/15/41/58/433154158.db2.gz KDDHDTWKSQTIJA-CQSZACIVSA-N 2 1 307.457 3.417 20 0 DGADMP c1ccc2c(c1)cccc2OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298399581 433123608 /nfs/dbraw/zinc/12/36/08/433123608.db2.gz LTSUAIAJSNNQFS-UHFFFAOYSA-N 2 1 310.441 3.435 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365489 433130040 /nfs/dbraw/zinc/13/00/40/433130040.db2.gz KPSMHJPXXIBXBV-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365489 433130050 /nfs/dbraw/zinc/13/00/50/433130050.db2.gz KPSMHJPXXIBXBV-QRQLOZEOSA-N 2 1 304.478 3.180 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nccnc1C ZINC000446928811 433131864 /nfs/dbraw/zinc/13/18/64/433131864.db2.gz NAHOUXCAQCPDNT-ULQDDVLXSA-N 2 1 304.482 3.336 20 0 DGADMP CCc1nc(N[C@@H](C[NH3+])c2ccc3ccccc3c2)cc(C)[nH+]1 ZINC000420240594 433134519 /nfs/dbraw/zinc/13/45/19/433134519.db2.gz HGZXWQDWQDVJSH-KRWDZBQOSA-N 2 1 306.413 3.034 20 0 DGADMP Clc1c[nH+]ccc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425271739 433138990 /nfs/dbraw/zinc/13/89/90/433138990.db2.gz DGNGKELGXMGAEJ-MAUKXSAKSA-N 2 1 313.832 3.446 20 0 DGADMP Clc1c[nH+]ccc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425271739 433138999 /nfs/dbraw/zinc/13/89/99/433138999.db2.gz DGNGKELGXMGAEJ-MAUKXSAKSA-N 2 1 313.832 3.446 20 0 DGADMP COc1cccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000290699199 433145427 /nfs/dbraw/zinc/14/54/27/433145427.db2.gz NFPCAQRATOKSQS-HDMKZQKVSA-N 2 1 302.462 3.045 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@@H](C)c2ccccc2)cc1 ZINC000420297926 433146854 /nfs/dbraw/zinc/14/68/54/433146854.db2.gz GQKLQJAMINDUPB-APWZRJJASA-N 2 1 312.457 3.473 20 0 DGADMP Brc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420298717 433147440 /nfs/dbraw/zinc/14/74/40/433147440.db2.gz FWISJWOWNWIEBI-ZDUSSCGKSA-N 2 1 323.278 3.413 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000420299909 433154705 /nfs/dbraw/zinc/15/47/05/433154705.db2.gz JRNOUMDJIGHVBJ-HNNXBMFYSA-N 2 1 301.434 3.333 20 0 DGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420297280 433149918 /nfs/dbraw/zinc/14/99/18/433149918.db2.gz YKXRLVIWWZSRPB-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420297280 433149924 /nfs/dbraw/zinc/14/99/24/433149924.db2.gz YKXRLVIWWZSRPB-TZMCWYRMSA-N 2 1 311.267 3.317 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000420299463 433150059 /nfs/dbraw/zinc/15/00/59/433150059.db2.gz GOTJBTVPKOWKPF-QAPCUYQASA-N 2 1 318.461 3.230 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446833782 433116001 /nfs/dbraw/zinc/11/60/01/433116001.db2.gz UKGLLPUJFLDNMW-SFHVURJKSA-N 2 1 301.434 3.023 20 0 DGADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000373181518 433116823 /nfs/dbraw/zinc/11/68/23/433116823.db2.gz UIJOGJIEWRPJMW-NPYXIHBLSA-N 2 1 308.853 3.242 20 0 DGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(Cl)c1O ZINC000298395064 433120640 /nfs/dbraw/zinc/12/06/40/433120640.db2.gz IDJRPBAPSPJFMR-LBPRGKRZSA-N 2 1 324.852 3.018 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420308007 433155967 /nfs/dbraw/zinc/15/59/67/433155967.db2.gz JNMQFTYCKBFJGJ-AWEZNQCLSA-N 2 1 318.852 3.087 20 0 DGADMP c1ccc(C[N@H+](CCCc2ccncc2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420302224 433156112 /nfs/dbraw/zinc/15/61/12/433156112.db2.gz BMVYFFQJURKXAQ-FQEVSTJZSA-N 2 1 324.472 3.054 20 0 DGADMP c1ccc(SC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420307601 433156535 /nfs/dbraw/zinc/15/65/35/433156535.db2.gz RNMKXIFMYGUGMC-IAGOWNOFSA-N 2 1 304.503 3.490 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000420304154 433156704 /nfs/dbraw/zinc/15/67/04/433156704.db2.gz LBRUAPIMFUFCDU-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420303885 433156846 /nfs/dbraw/zinc/15/68/46/433156846.db2.gz NVVDTLNLCKVQJF-YLJYHZDGSA-N 2 1 316.489 3.138 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403503 433157002 /nfs/dbraw/zinc/15/70/02/433157002.db2.gz OOXJUGBPYLUXFP-FXAWDEMLSA-N 3 1 321.553 3.494 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453401646 433157064 /nfs/dbraw/zinc/15/70/64/433157064.db2.gz ZFTCYXDJHJAAIL-DGXTUMSLSA-N 2 1 308.491 3.287 20 0 DGADMP CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC000420311101 433158041 /nfs/dbraw/zinc/15/80/41/433158041.db2.gz GTTADXQNAVHJKN-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP CCC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC000420311101 433158054 /nfs/dbraw/zinc/15/80/54/433158054.db2.gz GTTADXQNAVHJKN-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000420317701 433159086 /nfs/dbraw/zinc/15/90/86/433159086.db2.gz NUDCBRHKNZPIEZ-AWEZNQCLSA-N 2 1 318.440 3.208 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@@H]1CCCO1 ZINC000420318041 433159213 /nfs/dbraw/zinc/15/92/13/433159213.db2.gz VMEPJGPVQNHZKS-SLFFLAALSA-N 2 1 316.489 3.228 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1N1CCCC1 ZINC000420311026 433161590 /nfs/dbraw/zinc/16/15/90/433161590.db2.gz VSCNLJHLVDHVKY-KRWDZBQOSA-N 2 1 301.478 3.108 20 0 DGADMP Clc1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000420313427 433162501 /nfs/dbraw/zinc/16/25/01/433162501.db2.gz JVRCTAPQFOXOEG-GFCCVEGCSA-N 2 1 314.260 3.210 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nc2ccccc2n1C ZINC000453408766 433163339 /nfs/dbraw/zinc/16/33/39/433163339.db2.gz TUFOHFAIKZQTAQ-AWEZNQCLSA-N 2 1 300.450 3.098 20 0 DGADMP c1cc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)co1 ZINC000420330308 433164246 /nfs/dbraw/zinc/16/42/46/433164246.db2.gz AXHQFMDEIZDXPZ-MRXNPFEDSA-N 2 1 317.458 3.367 20 0 DGADMP c1ccc2sc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420323617 433165752 /nfs/dbraw/zinc/16/57/52/433165752.db2.gz GJPFACFNUBZLOJ-UONOGXRCSA-N 2 1 301.459 3.118 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)[C@@H](c2ccco2)C1 ZINC000425330138 433165953 /nfs/dbraw/zinc/16/59/53/433165953.db2.gz AUNDNCFNBPMNKD-UKRRQHHQSA-N 2 1 302.422 3.052 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@H]1SC ZINC000298515268 433166479 /nfs/dbraw/zinc/16/64/79/433166479.db2.gz RDKQYVDVCZLVGU-KZNAEPCWSA-N 2 1 322.518 3.137 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324238 433168074 /nfs/dbraw/zinc/16/80/74/433168074.db2.gz HECGYOXOOHDXRG-ZWKOTPCHSA-N 2 1 302.462 3.004 20 0 DGADMP c1csc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420337940 433170046 /nfs/dbraw/zinc/17/00/46/433170046.db2.gz KJMKPVWHLPZCJO-KGLIPLIRSA-N 2 1 317.458 3.225 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ccccc2n1 ZINC000420333303 433171218 /nfs/dbraw/zinc/17/12/18/433171218.db2.gz SPCHHKAYAGJICM-IRXDYDNUSA-N 2 1 309.457 3.365 20 0 DGADMP c1csc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420337730 433171955 /nfs/dbraw/zinc/17/19/55/433171955.db2.gz WZMBZRZHLBRISP-KBPBESRZSA-N 2 1 317.458 3.225 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298536680 433172771 /nfs/dbraw/zinc/17/27/71/433172771.db2.gz SNYBQFNBEQAADM-UHFFFAOYSA-N 3 1 315.505 3.245 20 0 DGADMP CCCOc1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000420363927 433181484 /nfs/dbraw/zinc/18/14/84/433181484.db2.gz CEGRUDNLFSKDRT-UHFFFAOYSA-N 2 1 302.462 3.223 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000420370626 433183828 /nfs/dbraw/zinc/18/38/28/433183828.db2.gz JYBWWEUFNGXUGZ-FQEVSTJZSA-N 3 1 323.569 3.456 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000420368079 433184138 /nfs/dbraw/zinc/18/41/38/433184138.db2.gz TYVOJDYXBUIOEC-ZDUSSCGKSA-N 2 1 305.249 3.335 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420368829 433184451 /nfs/dbraw/zinc/18/44/51/433184451.db2.gz IMIKKBHUGNUTGA-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420375886 433185680 /nfs/dbraw/zinc/18/56/80/433185680.db2.gz QCMVSYHQXROSRI-OAHLLOKOSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420372118 433188929 /nfs/dbraw/zinc/18/89/29/433188929.db2.gz LBKDWTYQYRAODK-HZPDHXFCSA-N 2 1 322.880 3.430 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420381554 433194284 /nfs/dbraw/zinc/19/42/84/433194284.db2.gz XVDUKRPBVBQCOZ-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420381554 433194291 /nfs/dbraw/zinc/19/42/91/433194291.db2.gz XVDUKRPBVBQCOZ-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420396641 433195090 /nfs/dbraw/zinc/19/50/90/433195090.db2.gz MBJOSRWAULIGGU-APWZRJJASA-N 2 1 311.429 3.306 20 0 DGADMP c1c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)onc1-c1ccccc1 ZINC000420396641 433195096 /nfs/dbraw/zinc/19/50/96/433195096.db2.gz MBJOSRWAULIGGU-APWZRJJASA-N 2 1 311.429 3.306 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000420394374 433197099 /nfs/dbraw/zinc/19/70/99/433197099.db2.gz KIZBHMOKWCVOMM-SWLSCSKDSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000420394374 433197110 /nfs/dbraw/zinc/19/71/10/433197110.db2.gz KIZBHMOKWCVOMM-SWLSCSKDSA-N 2 1 313.367 3.064 20 0 DGADMP C[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000361497216 433213530 /nfs/dbraw/zinc/21/35/30/433213530.db2.gz OQLVILUOZNVCDG-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000361497216 433213540 /nfs/dbraw/zinc/21/35/40/433213540.db2.gz OQLVILUOZNVCDG-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000361497216 433213554 /nfs/dbraw/zinc/21/35/54/433213554.db2.gz OQLVILUOZNVCDG-GOSISDBHSA-N 2 1 302.462 3.249 20 0 DGADMP COCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374534026 433213725 /nfs/dbraw/zinc/21/37/25/433213725.db2.gz CNKBHYQOKVSCTH-SFHVURJKSA-N 2 1 304.478 3.303 20 0 DGADMP COCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374534026 433213733 /nfs/dbraw/zinc/21/37/33/433213733.db2.gz CNKBHYQOKVSCTH-SFHVURJKSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000280945397 433236181 /nfs/dbraw/zinc/23/61/81/433236181.db2.gz REOSCBQXFBSYPQ-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000280945397 433236187 /nfs/dbraw/zinc/23/61/87/433236187.db2.gz REOSCBQXFBSYPQ-LJQANCHMSA-N 2 1 309.457 3.044 20 0 DGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000341786519 433278930 /nfs/dbraw/zinc/27/89/30/433278930.db2.gz QWWFPDJPSRNTIN-ICSRJNTNSA-N 2 1 316.489 3.234 20 0 DGADMP C[C@H]([NH2+]CCCO[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338294248 433285434 /nfs/dbraw/zinc/28/54/34/433285434.db2.gz XWBPJFRKRLYXBV-YQVWRLOYSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361615647 433292286 /nfs/dbraw/zinc/29/22/86/433292286.db2.gz JOYBEGXFEYSUPD-QGZVFWFLSA-N 2 1 323.525 3.057 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425542910 433292687 /nfs/dbraw/zinc/29/26/87/433292687.db2.gz AOHFGLILZBFZDX-GOSISDBHSA-N 2 1 317.477 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425542910 433292698 /nfs/dbraw/zinc/29/26/98/433292698.db2.gz AOHFGLILZBFZDX-GOSISDBHSA-N 2 1 317.477 3.253 20 0 DGADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915337 433311451 /nfs/dbraw/zinc/31/14/51/433311451.db2.gz DQDLXYRQGRKWTL-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915337 433311460 /nfs/dbraw/zinc/31/14/60/433311460.db2.gz DQDLXYRQGRKWTL-QFBILLFUSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@@H](F)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338631552 433311762 /nfs/dbraw/zinc/31/17/62/433311762.db2.gz GFBATKHXEZKGQG-ZIAGYGMSSA-N 2 1 311.470 3.178 20 0 DGADMP CC[C@@H](F)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338631552 433311770 /nfs/dbraw/zinc/31/17/70/433311770.db2.gz GFBATKHXEZKGQG-ZIAGYGMSSA-N 2 1 311.470 3.178 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422885074 289788909 /nfs/dbraw/zinc/78/89/09/289788909.db2.gz TZHIWLOQYBIAKR-ICSRJNTNSA-N 2 1 317.521 3.047 20 0 DGADMP Cc1ccc2c(c1)C[N@H+](Cc1cccc(CN3CCOCC3)c1)C2 ZINC000420963732 433358079 /nfs/dbraw/zinc/35/80/79/433358079.db2.gz MIKASAILHONACJ-UHFFFAOYSA-N 2 1 322.452 3.343 20 0 DGADMP Cc1ccc2c(c1)CN(Cc1cccc(CN3CCOCC3)c1)C2 ZINC000420963732 433358094 /nfs/dbraw/zinc/35/80/94/433358094.db2.gz MIKASAILHONACJ-UHFFFAOYSA-N 2 1 322.452 3.343 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)CC(C)C)CC2)CC1 ZINC000420974040 433360687 /nfs/dbraw/zinc/36/06/87/433360687.db2.gz DCWNHCRTSMXPPI-GOSISDBHSA-N 2 1 309.542 3.161 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361748120 433371167 /nfs/dbraw/zinc/37/11/67/433371167.db2.gz GRLPJNNIYNKIEF-NQYYFHDYSA-N 2 1 302.462 3.287 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361748120 433371170 /nfs/dbraw/zinc/37/11/70/433371170.db2.gz GRLPJNNIYNKIEF-NQYYFHDYSA-N 2 1 302.462 3.287 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414073596 433377152 /nfs/dbraw/zinc/37/71/52/433377152.db2.gz MHEZICRLQQDXPO-HNNXBMFYSA-N 2 1 312.461 3.132 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414073596 433377160 /nfs/dbraw/zinc/37/71/60/433377160.db2.gz MHEZICRLQQDXPO-HNNXBMFYSA-N 2 1 312.461 3.132 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000281626209 433330194 /nfs/dbraw/zinc/33/01/94/433330194.db2.gz CQWRRWPFHPWCPL-JKSUJKDBSA-N 2 1 311.473 3.345 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885717 433334113 /nfs/dbraw/zinc/33/41/13/433334113.db2.gz FZCACZPFVUTRPU-DOMZBBRYSA-N 2 1 315.383 3.405 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341884085 433334393 /nfs/dbraw/zinc/33/43/93/433334393.db2.gz KACSRSSHMBLLFK-RSPOEFSDSA-N 2 1 316.489 3.444 20 0 DGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341884085 433334404 /nfs/dbraw/zinc/33/44/04/433334404.db2.gz KACSRSSHMBLLFK-RSPOEFSDSA-N 2 1 316.489 3.444 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065352 433337819 /nfs/dbraw/zinc/33/78/19/433337819.db2.gz AFCHFXMOEAZVTO-MANSERQUSA-N 2 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339065352 433337829 /nfs/dbraw/zinc/33/78/29/433337829.db2.gz AFCHFXMOEAZVTO-MANSERQUSA-N 3 1 307.526 3.103 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065352 433337838 /nfs/dbraw/zinc/33/78/38/433337838.db2.gz AFCHFXMOEAZVTO-MANSERQUSA-N 3 1 307.526 3.103 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068079 433339404 /nfs/dbraw/zinc/33/94/04/433339404.db2.gz NCEKYJXZSHDCLV-MSOLQXFVSA-N 2 1 300.446 3.192 20 0 DGADMP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068079 433339412 /nfs/dbraw/zinc/33/94/12/433339412.db2.gz NCEKYJXZSHDCLV-MSOLQXFVSA-N 2 1 300.446 3.192 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000342039170 433429629 /nfs/dbraw/zinc/42/96/29/433429629.db2.gz FGAZZAZZPKRLLP-FUHWJXTLSA-N 2 1 312.461 3.397 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414076018 433378459 /nfs/dbraw/zinc/37/84/59/433378459.db2.gz PSNURMVNGVLUDT-SJORKVTESA-N 2 1 319.493 3.265 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339134102 433381895 /nfs/dbraw/zinc/38/18/95/433381895.db2.gz DVYYBQXNKQBYDD-KBPBESRZSA-N 2 1 301.438 3.080 20 0 DGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@H]1C[C@@H]1C ZINC000414082849 433383253 /nfs/dbraw/zinc/38/32/53/433383253.db2.gz FXJGXQQNHUMULK-SZMVWBNQSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000301065339 433398045 /nfs/dbraw/zinc/39/80/45/433398045.db2.gz CXFSGWBMOQIIEU-LBPRGKRZSA-N 2 1 302.447 3.014 20 0 DGADMP Cc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000301065339 433398055 /nfs/dbraw/zinc/39/80/55/433398055.db2.gz CXFSGWBMOQIIEU-LBPRGKRZSA-N 2 1 302.447 3.014 20 0 DGADMP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029550 433400307 /nfs/dbraw/zinc/40/03/07/433400307.db2.gz VESYYXUIATWFSY-IRXDYDNUSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000421029550 433400315 /nfs/dbraw/zinc/40/03/15/433400315.db2.gz VESYYXUIATWFSY-IRXDYDNUSA-N 2 1 324.509 3.162 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414113153 433404428 /nfs/dbraw/zinc/40/44/28/433404428.db2.gz RQHYDTOLOAGIIC-XCLNPWKQSA-N 2 1 316.489 3.168 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414152220 433424051 /nfs/dbraw/zinc/42/40/51/433424051.db2.gz XGVHBXUYKWVSPD-GFXZNLHSSA-N 2 1 314.473 3.339 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414173428 433436137 /nfs/dbraw/zinc/43/61/37/433436137.db2.gz GGSOAYUFLYHZDT-UONOGXRCSA-N 2 1 307.507 3.404 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000414183928 433447447 /nfs/dbraw/zinc/44/74/47/433447447.db2.gz OBERXYXAMMGFOP-WSTZPKSXSA-N 2 1 316.489 3.476 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000414186094 433449821 /nfs/dbraw/zinc/44/98/21/433449821.db2.gz OXBHCBFIWFSHEO-PXNSSMCTSA-N 2 1 309.457 3.493 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000423397504 290009211 /nfs/dbraw/zinc/00/92/11/290009211.db2.gz TULAENCGEHQYDT-CYZMBNFOSA-N 2 1 306.841 3.147 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414203796 433459244 /nfs/dbraw/zinc/45/92/44/433459244.db2.gz NRMAPMRSVJQONP-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414203796 433459252 /nfs/dbraw/zinc/45/92/52/433459252.db2.gz NRMAPMRSVJQONP-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339238118 433460047 /nfs/dbraw/zinc/46/00/47/433460047.db2.gz KGYGXKDARMJBME-HNNXBMFYSA-N 2 1 324.428 3.196 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422839009 290053354 /nfs/dbraw/zinc/05/33/54/290053354.db2.gz PLHRYUAMSVDELP-QGZVKYPTSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CS1 ZINC000414225605 433469239 /nfs/dbraw/zinc/46/92/39/433469239.db2.gz IZPYRNQEQVJSPJ-KSSFIOAISA-N 2 1 322.493 3.316 20 0 DGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261564707 290218045 /nfs/dbraw/zinc/21/80/45/290218045.db2.gz HKBQNYJRFUQZJW-WCUVEOEZSA-N 2 1 309.251 3.179 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262530512 290238205 /nfs/dbraw/zinc/23/82/05/290238205.db2.gz PLYYBYQXHJTTLH-IUODEOHRSA-N 2 1 314.351 3.332 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128653 433479205 /nfs/dbraw/zinc/47/92/05/433479205.db2.gz VOHHNQNKMZFFGB-LSDHHAIUSA-N 2 1 318.452 3.291 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000355128653 433479215 /nfs/dbraw/zinc/47/92/15/433479215.db2.gz VOHHNQNKMZFFGB-LSDHHAIUSA-N 2 1 318.452 3.291 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccsc2C)[C@H](C)C1 ZINC000339267269 433481834 /nfs/dbraw/zinc/48/18/34/433481834.db2.gz ZLOHVBLOSYYHDD-PBHICJAKSA-N 2 1 310.507 3.283 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@H]12 ZINC000351474471 433520594 /nfs/dbraw/zinc/52/05/94/433520594.db2.gz GDDUYCNSCUVMDI-VBNZEHGJSA-N 2 1 301.821 3.057 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000351474794 433521159 /nfs/dbraw/zinc/52/11/59/433521159.db2.gz GYWMKUPRGLFPDB-APHBMKBZSA-N 2 1 317.433 3.118 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000351474794 433521172 /nfs/dbraw/zinc/52/11/72/433521172.db2.gz GYWMKUPRGLFPDB-APHBMKBZSA-N 2 1 317.433 3.118 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCSc3ccccc3Cl)C[C@H]12 ZINC000351488837 433526786 /nfs/dbraw/zinc/52/67/86/433526786.db2.gz GGDJIQBKWGGAAJ-KCQAQPDRSA-N 2 1 310.894 3.491 20 0 DGADMP Cc1occc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000414308419 433531710 /nfs/dbraw/zinc/53/17/10/433531710.db2.gz QABZTAYNTXPSIT-OAHLLOKOSA-N 2 1 314.429 3.099 20 0 DGADMP Cc1occc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000414308419 433531721 /nfs/dbraw/zinc/53/17/21/433531721.db2.gz QABZTAYNTXPSIT-OAHLLOKOSA-N 2 1 314.429 3.099 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000351501377 433533603 /nfs/dbraw/zinc/53/36/03/433533603.db2.gz XWYCBVDYNMOXKS-ZKYQVNSYSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000351501377 433533613 /nfs/dbraw/zinc/53/36/13/433533613.db2.gz XWYCBVDYNMOXKS-ZKYQVNSYSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000351501373 433536210 /nfs/dbraw/zinc/53/62/10/433536210.db2.gz XWYCBVDYNMOXKS-SCDSUCTJSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000351501373 433536216 /nfs/dbraw/zinc/53/62/16/433536216.db2.gz XWYCBVDYNMOXKS-SCDSUCTJSA-N 2 1 315.244 3.041 20 0 DGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1Cl ZINC000282239955 433537827 /nfs/dbraw/zinc/53/78/27/433537827.db2.gz JACXHVVWGZCCIC-CQSZACIVSA-N 2 1 309.885 3.017 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000362022122 433494982 /nfs/dbraw/zinc/49/49/82/433494982.db2.gz GGXZLFLOWOGBIR-MJGOQNOKSA-N 2 1 313.445 3.480 20 0 DGADMP C[N@H+]1CCCC12CCN(C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000375565464 433496129 /nfs/dbraw/zinc/49/61/29/433496129.db2.gz MIELBGMKMHFHSH-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000375565464 433496136 /nfs/dbraw/zinc/49/61/36/433496136.db2.gz MIELBGMKMHFHSH-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000375565464 433496140 /nfs/dbraw/zinc/49/61/40/433496140.db2.gz MIELBGMKMHFHSH-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@@H]4CCC[C@H]43)C2)cc1 ZINC000342157241 433505743 /nfs/dbraw/zinc/50/57/43/433505743.db2.gz FTLAUTGIXRMZNA-SLFFLAALSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)CN(C)C1CC1)CC1CCC1 ZINC000351523390 433552749 /nfs/dbraw/zinc/55/27/49/433552749.db2.gz OBWAMSCKSDMVHA-JXFKEZNVSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523390 433552760 /nfs/dbraw/zinc/55/27/60/433552760.db2.gz OBWAMSCKSDMVHA-JXFKEZNVSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000351523390 433552772 /nfs/dbraw/zinc/55/27/72/433552772.db2.gz OBWAMSCKSDMVHA-JXFKEZNVSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000351523390 433552782 /nfs/dbraw/zinc/55/27/82/433552782.db2.gz OBWAMSCKSDMVHA-JXFKEZNVSA-N 2 1 316.489 3.305 20 0 DGADMP C[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000351523390 433552795 /nfs/dbraw/zinc/55/27/95/433552795.db2.gz OBWAMSCKSDMVHA-JXFKEZNVSA-N 2 1 316.489 3.305 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351578156 433593884 /nfs/dbraw/zinc/59/38/84/433593884.db2.gz GXDCOQHDWMTTRQ-MJGOQNOKSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351578156 433593890 /nfs/dbraw/zinc/59/38/90/433593890.db2.gz GXDCOQHDWMTTRQ-MJGOQNOKSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000414361183 433568812 /nfs/dbraw/zinc/56/88/12/433568812.db2.gz BTDSAGOPZZZKPB-HKUYNNGSSA-N 2 1 324.472 3.175 20 0 DGADMP Cc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000414361187 433569057 /nfs/dbraw/zinc/56/90/57/433569057.db2.gz BTDSAGOPZZZKPB-MJGOQNOKSA-N 2 1 324.472 3.175 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OCc1ccccc1 ZINC000339428321 433574000 /nfs/dbraw/zinc/57/40/00/433574000.db2.gz IJPIZIYTVHGUOQ-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@H](CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OCc1ccccc1 ZINC000339428321 433574008 /nfs/dbraw/zinc/57/40/08/433574008.db2.gz IJPIZIYTVHGUOQ-UYAOXDASSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OCc1ccccc1 ZINC000339428317 433575972 /nfs/dbraw/zinc/57/59/72/433575972.db2.gz IJPIZIYTVHGUOQ-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H](CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OCc1ccccc1 ZINC000339428317 433575984 /nfs/dbraw/zinc/57/59/84/433575984.db2.gz IJPIZIYTVHGUOQ-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339435426 433584603 /nfs/dbraw/zinc/58/46/03/433584603.db2.gz AZQGQRLFUQIDIP-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339435426 433584610 /nfs/dbraw/zinc/58/46/10/433584610.db2.gz AZQGQRLFUQIDIP-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339435426 433584622 /nfs/dbraw/zinc/58/46/22/433584622.db2.gz AZQGQRLFUQIDIP-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339435426 433584635 /nfs/dbraw/zinc/58/46/35/433584635.db2.gz AZQGQRLFUQIDIP-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)O[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602912 433584595 /nfs/dbraw/zinc/58/45/95/433584595.db2.gz WBEIWTGVAZAJPZ-PKOBYXMFSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000292602912 433584602 /nfs/dbraw/zinc/58/46/02/433584602.db2.gz WBEIWTGVAZAJPZ-PKOBYXMFSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000292602912 433584608 /nfs/dbraw/zinc/58/46/08/433584608.db2.gz WBEIWTGVAZAJPZ-PKOBYXMFSA-N 2 1 304.478 3.426 20 0 DGADMP CC(C)O[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000292602912 433584623 /nfs/dbraw/zinc/58/46/23/433584623.db2.gz WBEIWTGVAZAJPZ-PKOBYXMFSA-N 2 1 304.478 3.426 20 0 DGADMP COC1([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000414327513 433547569 /nfs/dbraw/zinc/54/75/69/433547569.db2.gz YRRSBYJMWJDQPE-KRWDZBQOSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000376002843 433638313 /nfs/dbraw/zinc/63/83/13/433638313.db2.gz GBMAWTRUMGFLQT-RWQQGDIJSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002843 433638318 /nfs/dbraw/zinc/63/83/18/433638318.db2.gz GBMAWTRUMGFLQT-RWQQGDIJSA-N 2 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002843 433638326 /nfs/dbraw/zinc/63/83/26/433638326.db2.gz GBMAWTRUMGFLQT-RWQQGDIJSA-N 2 1 307.526 3.102 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282429005 433605991 /nfs/dbraw/zinc/60/59/91/433605991.db2.gz SZIKSGKRXAPTFD-OAHLLOKOSA-N 2 1 321.534 3.085 20 0 DGADMP C[N@H+]1CCCC12CCN(Cc1ccccc1OC(F)F)CC2 ZINC000375908366 433609516 /nfs/dbraw/zinc/60/95/16/433609516.db2.gz WJLGWOQRUQXFOC-UHFFFAOYSA-N 2 1 310.388 3.348 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000282578562 433618730 /nfs/dbraw/zinc/61/87/30/433618730.db2.gz ZKZMUSLWPPCWCD-QXAKKESOSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000282578562 433618739 /nfs/dbraw/zinc/61/87/39/433618739.db2.gz ZKZMUSLWPPCWCD-QXAKKESOSA-N 2 1 316.489 3.302 20 0 DGADMP CCc1ncc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441855 433619752 /nfs/dbraw/zinc/61/97/52/433619752.db2.gz ZPGVCCOYXMBEBN-APWZRJJASA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414441855 433619763 /nfs/dbraw/zinc/61/97/63/433619763.db2.gz ZPGVCCOYXMBEBN-APWZRJJASA-N 2 1 324.472 3.039 20 0 DGADMP CCc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414441855 433619771 /nfs/dbraw/zinc/61/97/71/433619771.db2.gz ZPGVCCOYXMBEBN-APWZRJJASA-N 2 1 324.472 3.039 20 0 DGADMP C[C@@]1(C[NH2+]C[C@@H]2CCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000376148011 433679449 /nfs/dbraw/zinc/67/94/49/433679449.db2.gz JKSWJUZDXMIPLR-ROUUACIJSA-N 2 1 304.503 3.241 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025717 433679758 /nfs/dbraw/zinc/67/97/58/433679758.db2.gz CMAQWVGDSPMZNN-MAUKXSAKSA-N 2 1 304.482 3.160 20 0 DGADMP Cc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1F ZINC000449024837 433681523 /nfs/dbraw/zinc/68/15/23/433681523.db2.gz FFSGVUJFQFAAMM-UHFFFAOYSA-N 2 1 301.409 3.322 20 0 DGADMP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000367086255 293023834 /nfs/dbraw/zinc/02/38/34/293023834.db2.gz KHHXKAATUGDKDN-JZXOWHBKSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000367229386 293041031 /nfs/dbraw/zinc/04/10/31/293041031.db2.gz DVHORZPLRBTQMM-ZWKOTPCHSA-N 2 1 324.472 3.112 20 0 DGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000376255640 433701220 /nfs/dbraw/zinc/70/12/20/433701220.db2.gz XYTCADQUWKSACG-BRIYLRKRSA-N 2 1 306.494 3.162 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677163 293185126 /nfs/dbraw/zinc/18/51/26/293185126.db2.gz SLBYXEIAXGLIIX-CWRNSKLLSA-N 2 1 305.441 3.169 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1N(C)C ZINC000370677163 293185128 /nfs/dbraw/zinc/18/51/28/293185128.db2.gz SLBYXEIAXGLIIX-CWRNSKLLSA-N 2 1 305.441 3.169 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000370678607 293185196 /nfs/dbraw/zinc/18/51/96/293185196.db2.gz DCOGFQVSQRNBMC-APWZRJJASA-N 3 1 318.509 3.214 20 0 DGADMP COc1cc(C)ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000449050266 433709410 /nfs/dbraw/zinc/70/94/10/433709410.db2.gz UCAZJLPQEWGDHA-VQIMIIECSA-N 2 1 314.473 3.452 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000373318920 293260651 /nfs/dbraw/zinc/26/06/51/293260651.db2.gz OOVSIXCIDMHSCZ-ZBPHDNMCSA-N 2 1 302.462 3.053 20 0 DGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000373593333 293295191 /nfs/dbraw/zinc/29/51/91/293295191.db2.gz BPNVBIHVYUPIEV-GOSISDBHSA-N 2 1 313.420 3.223 20 0 DGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000373593333 293295192 /nfs/dbraw/zinc/29/51/92/293295192.db2.gz BPNVBIHVYUPIEV-GOSISDBHSA-N 2 1 313.420 3.223 20 0 DGADMP COCc1ccc([C@@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)o1 ZINC000342480378 433716994 /nfs/dbraw/zinc/71/69/94/433716994.db2.gz UCLWEJFWXKQEAV-WBVHZDCISA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH+]2C)o1 ZINC000342480378 433717002 /nfs/dbraw/zinc/71/70/02/433717002.db2.gz UCLWEJFWXKQEAV-WBVHZDCISA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH+]2C)o1 ZINC000342480378 433717012 /nfs/dbraw/zinc/71/70/12/433717012.db2.gz UCLWEJFWXKQEAV-WBVHZDCISA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000342480378 433717019 /nfs/dbraw/zinc/71/70/19/433717019.db2.gz UCLWEJFWXKQEAV-WBVHZDCISA-N 2 1 306.450 3.437 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCC1 ZINC000449060380 433717767 /nfs/dbraw/zinc/71/77/67/433717767.db2.gz FHGKTADUZXDDCU-LJQANCHMSA-N 2 1 302.462 3.187 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000374498754 293408360 /nfs/dbraw/zinc/40/83/60/293408360.db2.gz WHKVHSCHXJIDEL-FASAQXTFSA-N 2 1 311.429 3.399 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000374498755 293408587 /nfs/dbraw/zinc/40/85/87/293408587.db2.gz WHKVHSCHXJIDEL-MJXNMMHHSA-N 2 1 311.429 3.399 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356842413 433728035 /nfs/dbraw/zinc/72/80/35/433728035.db2.gz GMCLZXBFLWEZDV-QFBILLFUSA-N 2 1 304.478 3.432 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccs2)CC1 ZINC000362486749 433731741 /nfs/dbraw/zinc/73/17/41/433731741.db2.gz LIOGYDGLYNXUCR-UHFFFAOYSA-N 2 1 318.490 3.443 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccs2)CC1 ZINC000362486749 433731750 /nfs/dbraw/zinc/73/17/50/433731750.db2.gz LIOGYDGLYNXUCR-UHFFFAOYSA-N 2 1 318.490 3.443 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC23CCCCC3)CC1(C)C ZINC000449306311 433738241 /nfs/dbraw/zinc/73/82/41/433738241.db2.gz VXCRDBAWJYENFR-KRWDZBQOSA-N 2 1 307.526 3.105 20 0 DGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000421822108 433746095 /nfs/dbraw/zinc/74/60/95/433746095.db2.gz VVHNCFHGEXWHMT-OLZOCXBDSA-N 2 1 308.853 3.484 20 0 DGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000421822108 433746105 /nfs/dbraw/zinc/74/61/05/433746105.db2.gz VVHNCFHGEXWHMT-OLZOCXBDSA-N 2 1 308.853 3.484 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000376474745 433746656 /nfs/dbraw/zinc/74/66/56/433746656.db2.gz XXZOIPJOAPEXEZ-ZWKOTPCHSA-N 2 1 304.503 3.241 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1 ZINC000356893198 433752410 /nfs/dbraw/zinc/75/24/10/433752410.db2.gz INGGCWKGANDQBL-VQIMIIECSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000351860698 433759574 /nfs/dbraw/zinc/75/95/74/433759574.db2.gz HZRKTTLENIKPGQ-QWHCGFSZSA-N 2 1 316.367 3.143 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414655421 433770047 /nfs/dbraw/zinc/77/00/47/433770047.db2.gz LCAQPWQCSWDWFU-AWEZNQCLSA-N 2 1 300.368 3.445 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000414652610 433771235 /nfs/dbraw/zinc/77/12/35/433771235.db2.gz DNHQTUWRFCMFNV-MNOVXSKESA-N 2 1 317.296 3.378 20 0 DGADMP Cc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000414652610 433771241 /nfs/dbraw/zinc/77/12/41/433771241.db2.gz DNHQTUWRFCMFNV-MNOVXSKESA-N 2 1 317.296 3.378 20 0 DGADMP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841686 433725632 /nfs/dbraw/zinc/72/56/32/433725632.db2.gz GOGMJLGTYSCMKI-INIZCTEOSA-N 2 1 304.434 3.112 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841686 433725644 /nfs/dbraw/zinc/72/56/44/433725644.db2.gz GOGMJLGTYSCMKI-INIZCTEOSA-N 2 1 304.434 3.112 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841686 433725654 /nfs/dbraw/zinc/72/56/54/433725654.db2.gz GOGMJLGTYSCMKI-INIZCTEOSA-N 2 1 304.434 3.112 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841686 433725663 /nfs/dbraw/zinc/72/56/63/433725663.db2.gz GOGMJLGTYSCMKI-INIZCTEOSA-N 2 1 304.434 3.112 20 0 DGADMP Brc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414773163 433823511 /nfs/dbraw/zinc/82/35/11/433823511.db2.gz DCDHIJJMJQNVJS-LSDHHAIUSA-N 2 1 323.278 3.271 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659758 433774209 /nfs/dbraw/zinc/77/42/09/433774209.db2.gz LSZSVEXKLOCHCX-WFASDCNBSA-N 2 1 300.368 3.493 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659758 433774215 /nfs/dbraw/zinc/77/42/15/433774215.db2.gz LSZSVEXKLOCHCX-WFASDCNBSA-N 2 1 300.368 3.493 20 0 DGADMP C[N@H+]1CC=C(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000283796136 433776691 /nfs/dbraw/zinc/77/66/91/433776691.db2.gz AUWUTCMCVHZTIK-UHFFFAOYSA-N 2 1 318.314 3.076 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000283796136 433776699 /nfs/dbraw/zinc/77/66/99/433776699.db2.gz AUWUTCMCVHZTIK-UHFFFAOYSA-N 2 1 318.314 3.076 20 0 DGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000414676970 433784295 /nfs/dbraw/zinc/78/42/95/433784295.db2.gz NYTZKBYMTHFTDQ-JFIYKMOQSA-N 2 1 304.478 3.336 20 0 DGADMP c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sc1-c1ccccc1 ZINC000414771836 433824462 /nfs/dbraw/zinc/82/44/62/433824462.db2.gz SAXUCZQRNQNFSZ-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414678948 433788391 /nfs/dbraw/zinc/78/83/91/433788391.db2.gz YQDHJXNSMCXDNN-WXYCVUISSA-N 2 1 312.379 3.478 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686909 433790674 /nfs/dbraw/zinc/79/06/74/433790674.db2.gz BUCYOXYKPIHXHH-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686909 433790679 /nfs/dbraw/zinc/79/06/79/433790679.db2.gz BUCYOXYKPIHXHH-CKEIUWERSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449782865 433790708 /nfs/dbraw/zinc/79/07/08/433790708.db2.gz MHIXZRYEZFSUJQ-INIZCTEOSA-N 2 1 317.477 3.176 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449782865 433790715 /nfs/dbraw/zinc/79/07/15/433790715.db2.gz MHIXZRYEZFSUJQ-INIZCTEOSA-N 2 1 317.477 3.176 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686910 433791917 /nfs/dbraw/zinc/79/19/17/433791917.db2.gz BUCYOXYKPIHXHH-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC000414686910 433791926 /nfs/dbraw/zinc/79/19/26/433791926.db2.gz BUCYOXYKPIHXHH-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414688295 433792283 /nfs/dbraw/zinc/79/22/83/433792283.db2.gz CXYVHKZRRQGAAF-UHFFFAOYSA-N 3 1 317.521 3.219 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000430731501 433795202 /nfs/dbraw/zinc/79/52/02/433795202.db2.gz MHOWCODSQJNMEY-QXAKKESOSA-N 2 1 309.542 3.064 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414692130 433795098 /nfs/dbraw/zinc/79/50/98/433795098.db2.gz KUNXGBYVGJSAMY-HHXXYDBFSA-N 2 1 320.452 3.195 20 0 DGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)ccc1SC ZINC000414693397 433795721 /nfs/dbraw/zinc/79/57/21/433795721.db2.gz MRYVXMUEHIBYRQ-HIFRSBDPSA-N 2 1 308.491 3.237 20 0 DGADMP CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000356978114 433796587 /nfs/dbraw/zinc/79/65/87/433796587.db2.gz DIBUNYMPYOSLRH-MRXNPFEDSA-N 2 1 323.525 3.019 20 0 DGADMP CC[N@H+](Cc1cc(Cl)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000414711891 433804548 /nfs/dbraw/zinc/80/45/48/433804548.db2.gz IFIAWNUEWRYYOZ-MRXNPFEDSA-N 2 1 308.853 3.239 20 0 DGADMP CC[N@@H+](Cc1cc(Cl)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000414711891 433804554 /nfs/dbraw/zinc/80/45/54/433804554.db2.gz IFIAWNUEWRYYOZ-MRXNPFEDSA-N 2 1 308.853 3.239 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000376740330 433808029 /nfs/dbraw/zinc/80/80/29/433808029.db2.gz SYIYLWXZCUBGAI-MSOLQXFVSA-N 2 1 308.510 3.436 20 0 DGADMP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763072 433818543 /nfs/dbraw/zinc/81/85/43/433818543.db2.gz BIWNBKFCJBGRER-GASCZTMLSA-N 2 1 305.491 3.232 20 0 DGADMP C[C@H]1C[C@H](C[N@H+]2CCc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000414757635 433819441 /nfs/dbraw/zinc/81/94/41/433819441.db2.gz SXSHGWUCSNQFHJ-QWHCGFSZSA-N 2 1 323.278 3.195 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1O ZINC000414841112 433877435 /nfs/dbraw/zinc/87/74/35/433877435.db2.gz MZSNKFKTXYSDJV-PBHICJAKSA-N 2 1 320.477 3.219 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414776757 433828028 /nfs/dbraw/zinc/82/80/28/433828028.db2.gz HPYRPZSPAZSRJN-CABCVRRESA-N 2 1 313.420 3.195 20 0 DGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432409171 433828205 /nfs/dbraw/zinc/82/82/05/433828205.db2.gz FHIVLKFMLPKGKB-UYAOXDASSA-N 2 1 318.505 3.344 20 0 DGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409171 433828210 /nfs/dbraw/zinc/82/82/10/433828210.db2.gz FHIVLKFMLPKGKB-UYAOXDASSA-N 2 1 318.505 3.344 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409708 433828594 /nfs/dbraw/zinc/82/85/94/433828594.db2.gz IIFCTDGLMFHJKN-DOTOQJQBSA-N 2 1 320.477 3.384 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409708 433828604 /nfs/dbraw/zinc/82/86/04/433828604.db2.gz IIFCTDGLMFHJKN-DOTOQJQBSA-N 2 1 320.477 3.384 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432418028 433828673 /nfs/dbraw/zinc/82/86/73/433828673.db2.gz YBPPNYRKCGDXCE-ZWKOTPCHSA-N 2 1 304.478 3.455 20 0 DGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414779591 433829924 /nfs/dbraw/zinc/82/99/24/433829924.db2.gz KMIBODNQTDQCNJ-HNNXBMFYSA-N 2 1 322.880 3.090 20 0 DGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414779478 433831610 /nfs/dbraw/zinc/83/16/10/433831610.db2.gz KCSPCRKOKLIUSB-HUUCEWRRSA-N 2 1 307.507 3.163 20 0 DGADMP O[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000352039432 433877467 /nfs/dbraw/zinc/87/74/67/433877467.db2.gz GFRPWWWVAYBQAC-RTWAWAEBSA-N 2 1 324.468 3.017 20 0 DGADMP Clc1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000414786267 433832469 /nfs/dbraw/zinc/83/24/69/433832469.db2.gz UKEBSOPMAYUQDU-HUUCEWRRSA-N 2 1 320.864 3.096 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414783536 433832829 /nfs/dbraw/zinc/83/28/29/433832829.db2.gz PZNQPFMXWILBDW-IBGZPJMESA-N 2 1 316.489 3.072 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414788103 433832918 /nfs/dbraw/zinc/83/29/18/433832918.db2.gz WGBXWJMBBVSYAH-GJZGRUSLSA-N 2 1 310.388 3.110 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414784890 433834521 /nfs/dbraw/zinc/83/45/21/433834521.db2.gz RSEDSVZYIBBXIR-MSOLQXFVSA-N 2 1 302.462 3.295 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414784624 433835437 /nfs/dbraw/zinc/83/54/37/433835437.db2.gz RMWSZUXSUKZUJL-JKSUJKDBSA-N 2 1 306.425 3.046 20 0 DGADMP CCCCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OCC ZINC000414792507 433840094 /nfs/dbraw/zinc/84/00/94/433840094.db2.gz SATGFESKMCGLFO-UHFFFAOYSA-N 2 1 306.450 3.106 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414802204 433844273 /nfs/dbraw/zinc/84/42/73/433844273.db2.gz KHTYWFWMBFPESS-UHFFFAOYSA-N 2 1 306.841 3.337 20 0 DGADMP Cc1nccn1CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000362754585 433848165 /nfs/dbraw/zinc/84/81/65/433848165.db2.gz YBWAKGGZVKWFHM-HKUYNNGSSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754585 433848176 /nfs/dbraw/zinc/84/81/76/433848176.db2.gz YBWAKGGZVKWFHM-HKUYNNGSSA-N 2 1 318.509 3.168 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754585 433848183 /nfs/dbraw/zinc/84/81/83/433848183.db2.gz YBWAKGGZVKWFHM-HKUYNNGSSA-N 2 1 318.509 3.168 20 0 DGADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCc1cccs1 ZINC000414805272 433849026 /nfs/dbraw/zinc/84/90/26/433849026.db2.gz OJTOCOOIIJQYGP-UHFFFAOYSA-N 2 1 320.458 3.163 20 0 DGADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000357069926 433852067 /nfs/dbraw/zinc/85/20/67/433852067.db2.gz HZVFSAUKOBFPOW-OAHLLOKOSA-N 2 1 316.367 3.208 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000414813353 433852182 /nfs/dbraw/zinc/85/21/82/433852182.db2.gz MJISSIWKXHKMAP-GOEBONIOSA-N 2 1 305.466 3.128 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)C1CC1 ZINC000414812920 433852934 /nfs/dbraw/zinc/85/29/34/433852934.db2.gz QGZUDPHNIKSLEN-SFHVURJKSA-N 2 1 300.377 3.445 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335662 433856613 /nfs/dbraw/zinc/85/66/13/433856613.db2.gz HRDZLEMAHDXHNH-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335662 433856621 /nfs/dbraw/zinc/85/66/21/433856621.db2.gz HRDZLEMAHDXHNH-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335662 433856628 /nfs/dbraw/zinc/85/66/28/433856628.db2.gz HRDZLEMAHDXHNH-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000377335662 433856636 /nfs/dbraw/zinc/85/66/36/433856636.db2.gz HRDZLEMAHDXHNH-WOJBJXKFSA-N 2 1 307.441 3.036 20 0 DGADMP Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338290 433858555 /nfs/dbraw/zinc/85/85/55/433858555.db2.gz WASKOFDEVCEREH-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338290 433858565 /nfs/dbraw/zinc/85/85/65/433858565.db2.gz WASKOFDEVCEREH-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338290 433858574 /nfs/dbraw/zinc/85/85/74/433858574.db2.gz WASKOFDEVCEREH-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338290 433858581 /nfs/dbraw/zinc/85/85/81/433858581.db2.gz WASKOFDEVCEREH-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414818825 433860829 /nfs/dbraw/zinc/86/08/29/433860829.db2.gz WSYRNTGFTZTEKU-NZSAHSFTSA-N 2 1 303.494 3.147 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000284234905 433863068 /nfs/dbraw/zinc/86/30/68/433863068.db2.gz HVWLWMNDPQNSTM-STQMWFEESA-N 2 1 311.857 3.126 20 0 DGADMP C[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357106427 433864301 /nfs/dbraw/zinc/86/43/01/433864301.db2.gz BUURSEWLJXHCJQ-IXDOHACOSA-N 2 1 323.525 3.019 20 0 DGADMP COc1ncc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000284249452 433866795 /nfs/dbraw/zinc/86/67/95/433866795.db2.gz IJJLEMQUPMASAD-NEPJUHHUSA-N 2 1 322.840 3.235 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000414831518 433867691 /nfs/dbraw/zinc/86/76/91/433867691.db2.gz CIKPGTPZNBGZEO-NSISKUIASA-N 2 1 315.505 3.319 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000414831516 433869188 /nfs/dbraw/zinc/86/91/88/433869188.db2.gz CIKPGTPZNBGZEO-AHRSYUTCSA-N 2 1 315.505 3.319 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCCC1 ZINC000414834364 433870060 /nfs/dbraw/zinc/87/00/60/433870060.db2.gz BQQNXHCQIKGULO-UHFFFAOYSA-N 2 1 302.340 3.178 20 0 DGADMP COc1cc(C)c(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414839491 433872110 /nfs/dbraw/zinc/87/21/10/433872110.db2.gz LHYALWLVQFPQGJ-MRXNPFEDSA-N 2 1 306.450 3.009 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435429625 433872522 /nfs/dbraw/zinc/87/25/22/433872522.db2.gz YHRMVRVMPXCEQN-WBVHZDCISA-N 2 1 320.502 3.119 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]3)s2)cc1 ZINC000414908429 433907682 /nfs/dbraw/zinc/90/76/82/433907682.db2.gz RUNCZKUIBOIPGC-OAHLLOKOSA-N 2 1 301.459 3.350 20 0 DGADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905031 433909977 /nfs/dbraw/zinc/90/99/77/433909977.db2.gz LAOWRPWJBZIAJG-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000414905031 433909985 /nfs/dbraw/zinc/90/99/85/433909985.db2.gz LAOWRPWJBZIAJG-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414905031 433909992 /nfs/dbraw/zinc/90/99/92/433909992.db2.gz LAOWRPWJBZIAJG-HOJAQTOUSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414905031 433910001 /nfs/dbraw/zinc/91/00/01/433910001.db2.gz LAOWRPWJBZIAJG-HOJAQTOUSA-N 3 1 315.505 3.019 20 0 DGADMP Clc1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414908760 433910637 /nfs/dbraw/zinc/91/06/37/433910637.db2.gz CVVIMBLHRCSIFR-LBPRGKRZSA-N 2 1 317.658 3.334 20 0 DGADMP Cc1cc(N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)nc(C)[nH+]1 ZINC000362927817 433911944 /nfs/dbraw/zinc/91/19/44/433911944.db2.gz LSDPGWPUNJFZTP-UHFFFAOYSA-N 2 1 314.477 3.375 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436230018 433912167 /nfs/dbraw/zinc/91/21/67/433912167.db2.gz GQDAXFHTOUISGH-AWEZNQCLSA-N 2 1 318.490 3.348 20 0 DGADMP CC[C@H](O)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227305 433915910 /nfs/dbraw/zinc/91/59/10/433915910.db2.gz DGEJYQUUFCJETF-WDSOQIARSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000422561874 433918674 /nfs/dbraw/zinc/91/86/74/433918674.db2.gz NWPKLWVTPOSDQW-MDZLAQPJSA-N 2 1 316.367 3.232 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000422561874 433918680 /nfs/dbraw/zinc/91/86/80/433918680.db2.gz NWPKLWVTPOSDQW-MDZLAQPJSA-N 2 1 316.367 3.232 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422558488 433919423 /nfs/dbraw/zinc/91/94/23/433919423.db2.gz AVWJVKAADFVXTL-IOASZLSFSA-N 2 1 306.498 3.060 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242054 433930750 /nfs/dbraw/zinc/93/07/50/433930750.db2.gz RKLZVNDOZFFZHE-ZCNNSNEGSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242054 433930755 /nfs/dbraw/zinc/93/07/55/433930755.db2.gz RKLZVNDOZFFZHE-ZCNNSNEGSA-N 3 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242054 433930761 /nfs/dbraw/zinc/93/07/61/433930761.db2.gz RKLZVNDOZFFZHE-ZCNNSNEGSA-N 3 1 315.505 3.019 20 0 DGADMP CN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000303242054 433930771 /nfs/dbraw/zinc/93/07/71/433930771.db2.gz RKLZVNDOZFFZHE-ZCNNSNEGSA-N 2 1 315.505 3.019 20 0 DGADMP Fc1cccc2[nH]c(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc21 ZINC000436286351 433931495 /nfs/dbraw/zinc/93/14/95/433931495.db2.gz GVDIHMKVNDTCRI-UHFFFAOYSA-N 2 1 301.409 3.271 20 0 DGADMP O[C@@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000352039430 433879790 /nfs/dbraw/zinc/87/97/90/433879790.db2.gz GFRPWWWVAYBQAC-LEWJYISDSA-N 2 1 324.468 3.017 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414853380 433882190 /nfs/dbraw/zinc/88/21/90/433882190.db2.gz SFNKKMQLEYMPME-GOSISDBHSA-N 2 1 313.445 3.124 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293822051 433883109 /nfs/dbraw/zinc/88/31/09/433883109.db2.gz WMXTYNGSGJJHIJ-FMKPAKJESA-N 2 1 316.424 3.145 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293822051 433883118 /nfs/dbraw/zinc/88/31/18/433883118.db2.gz WMXTYNGSGJJHIJ-FMKPAKJESA-N 2 1 316.424 3.145 20 0 DGADMP [NH3+]C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000414851856 433883873 /nfs/dbraw/zinc/88/38/73/433883873.db2.gz PXDPWEMNJPLICX-SFHVURJKSA-N 2 1 302.462 3.051 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414860445 433892809 /nfs/dbraw/zinc/89/28/09/433892809.db2.gz VLDIJHPTFKFXQJ-WDEREUQCSA-N 2 1 315.230 3.066 20 0 DGADMP C[NH+](C)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293962230 433944857 /nfs/dbraw/zinc/94/48/57/433944857.db2.gz ZXNJNFIBMAOOLN-JTQLQIEISA-N 2 1 303.269 3.039 20 0 DGADMP CN(CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000422715097 433945463 /nfs/dbraw/zinc/94/54/63/433945463.db2.gz LWYDTCRYBURSPY-QZTJIDSGSA-N 2 1 313.420 3.386 20 0 DGADMP C[N@@H+](CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000303549641 433945821 /nfs/dbraw/zinc/94/58/21/433945821.db2.gz DVFXPPALGADMIJ-WOJBJXKFSA-N 2 1 309.457 3.243 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422725610 433950757 /nfs/dbraw/zinc/95/07/57/433950757.db2.gz BZJSTZYONBBPBZ-SZMVWBNQSA-N 2 1 303.494 3.223 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422726958 433951875 /nfs/dbraw/zinc/95/18/75/433951875.db2.gz AYTLTEDVZFQVIB-YWZLYKJASA-N 2 1 307.441 3.259 20 0 DGADMP CC[C@H]([NH2+]CCc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422738179 433959046 /nfs/dbraw/zinc/95/90/46/433959046.db2.gz IKPDSLYCKTXBBO-GJZGRUSLSA-N 2 1 300.368 3.368 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422733649 433961422 /nfs/dbraw/zinc/96/14/22/433961422.db2.gz BQIQMLAHEMAQQL-LLVKDONJSA-N 2 1 318.490 3.454 20 0 DGADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422735301 433962638 /nfs/dbraw/zinc/96/26/38/433962638.db2.gz VWERQXHEVTWMQF-WOJBJXKFSA-N 2 1 315.505 3.421 20 0 DGADMP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422735301 433962651 /nfs/dbraw/zinc/96/26/51/433962651.db2.gz VWERQXHEVTWMQF-WOJBJXKFSA-N 3 1 315.505 3.421 20 0 DGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422735301 433962660 /nfs/dbraw/zinc/96/26/60/433962660.db2.gz VWERQXHEVTWMQF-WOJBJXKFSA-N 3 1 315.505 3.421 20 0 DGADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340182085 433963407 /nfs/dbraw/zinc/96/34/07/433963407.db2.gz PLLNMLSKTDCOFH-WOJBJXKFSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340183320 433963724 /nfs/dbraw/zinc/96/37/24/433963724.db2.gz BDEWRXDRRAAXBO-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340183320 433963733 /nfs/dbraw/zinc/96/37/33/433963733.db2.gz BDEWRXDRRAAXBO-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340183320 433963743 /nfs/dbraw/zinc/96/37/43/433963743.db2.gz BDEWRXDRRAAXBO-HOJAQTOUSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340182082 433966572 /nfs/dbraw/zinc/96/65/72/433966572.db2.gz PLLNMLSKTDCOFH-PMACEKPBSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422743147 433966606 /nfs/dbraw/zinc/96/66/06/433966606.db2.gz IARRRLQOICKANU-IRXDYDNUSA-N 3 1 303.494 3.319 20 0 DGADMP OCCCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285500734 433972245 /nfs/dbraw/zinc/97/22/45/433972245.db2.gz JFANHZCDPAQYGN-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285500734 433972246 /nfs/dbraw/zinc/97/22/46/433972246.db2.gz JFANHZCDPAQYGN-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285500734 433972256 /nfs/dbraw/zinc/97/22/56/433972256.db2.gz JFANHZCDPAQYGN-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C2CC2)c1 ZINC000340199658 433977775 /nfs/dbraw/zinc/97/77/75/433977775.db2.gz PDLNPSHWJPEUEQ-OAHLLOKOSA-N 2 1 302.462 3.061 20 0 DGADMP CCOc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000422760414 433977755 /nfs/dbraw/zinc/97/77/55/433977755.db2.gz MDTMMRVJLQYVQO-WBVHZDCISA-N 2 1 320.477 3.147 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@@H]1C[NH3+] ZINC000415138160 433978209 /nfs/dbraw/zinc/97/82/09/433978209.db2.gz YLPHOCVPHSMETG-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)c2ccccc21 ZINC000340202244 433984866 /nfs/dbraw/zinc/98/48/66/433984866.db2.gz ULFJEMUQHGOJBF-CABCVRRESA-N 2 1 316.420 3.086 20 0 DGADMP C[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422768614 433987756 /nfs/dbraw/zinc/98/77/56/433987756.db2.gz UFVPSRPSEZXIRW-GFCCVEGCSA-N 2 1 305.422 3.466 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@@H]1C[NH3+] ZINC000422633846 433937078 /nfs/dbraw/zinc/93/70/78/433937078.db2.gz IUHGPJGTETVKMW-NFAWXSAZSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@@H]1C[NH3+] ZINC000422633846 433937085 /nfs/dbraw/zinc/93/70/85/433937085.db2.gz IUHGPJGTETVKMW-NFAWXSAZSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@@H]1C[NH3+] ZINC000422633845 433937216 /nfs/dbraw/zinc/93/72/16/433937216.db2.gz IUHGPJGTETVKMW-IPYPFGDCSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@@H]1C[NH3+] ZINC000422633845 433937223 /nfs/dbraw/zinc/93/72/23/433937223.db2.gz IUHGPJGTETVKMW-IPYPFGDCSA-N 2 1 317.408 3.286 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000345826494 433938217 /nfs/dbraw/zinc/93/82/17/433938217.db2.gz GOUKDTBMWFZMBH-OLZOCXBDSA-N 2 1 318.490 3.199 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000345826493 433940179 /nfs/dbraw/zinc/94/01/79/433940179.db2.gz GOUKDTBMWFZMBH-CHWSQXEVSA-N 2 1 318.490 3.199 20 0 DGADMP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422704836 433941033 /nfs/dbraw/zinc/94/10/33/433941033.db2.gz QJMVMNWZFULHCY-IUODEOHRSA-N 2 1 312.379 3.467 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000422795861 434011868 /nfs/dbraw/zinc/01/18/68/434011868.db2.gz IECMOQGMDYBQQH-NWDGAFQWSA-N 2 1 305.809 3.266 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000340255752 434016831 /nfs/dbraw/zinc/01/68/31/434016831.db2.gz LBLTUFUJUDYFPE-XLAORIBOSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1(C)C ZINC000340255752 434016841 /nfs/dbraw/zinc/01/68/41/434016841.db2.gz LBLTUFUJUDYFPE-XLAORIBOSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000340255756 434017605 /nfs/dbraw/zinc/01/76/05/434017605.db2.gz LBLTUFUJUDYFPE-ZJPYXAASSA-N 2 1 302.462 3.225 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000340255756 434017611 /nfs/dbraw/zinc/01/76/11/434017611.db2.gz LBLTUFUJUDYFPE-ZJPYXAASSA-N 2 1 302.462 3.225 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422809028 434021916 /nfs/dbraw/zinc/02/19/16/434021916.db2.gz RCRSKMKCBOGVGZ-RTBURBONSA-N 2 1 314.404 3.374 20 0 DGADMP C[C@H](CCN[C@@H]1CCCCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816798 434024542 /nfs/dbraw/zinc/02/45/42/434024542.db2.gz BLVFKAGAVIFQQJ-BHIYHBOVSA-N 2 1 303.494 3.147 20 0 DGADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)cc1 ZINC000422826283 434031440 /nfs/dbraw/zinc/03/14/40/434031440.db2.gz QNXSFWRZIWXRBT-IAGOWNOFSA-N 2 1 302.443 3.393 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2cscn2)C1 ZINC000340281299 434034032 /nfs/dbraw/zinc/03/40/32/434034032.db2.gz OIPJOCKGMGVAMD-HZPDHXFCSA-N 2 1 307.507 3.272 20 0 DGADMP CCOC1CC(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000285683929 434035375 /nfs/dbraw/zinc/03/53/75/434035375.db2.gz QSRMVIPFSHATIH-UHFFFAOYSA-N 2 1 316.489 3.398 20 0 DGADMP CCOC1CC(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000285683929 434035386 /nfs/dbraw/zinc/03/53/86/434035386.db2.gz QSRMVIPFSHATIH-UHFFFAOYSA-N 2 1 316.489 3.398 20 0 DGADMP CCOC1CC(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000285683929 434035396 /nfs/dbraw/zinc/03/53/96/434035396.db2.gz QSRMVIPFSHATIH-UHFFFAOYSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCCN1 ZINC000422828257 434035858 /nfs/dbraw/zinc/03/58/58/434035858.db2.gz OESZNEKDKKXWQX-CRAIPNDOSA-N 2 1 321.534 3.080 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CC(C)C ZINC000422831393 434037180 /nfs/dbraw/zinc/03/71/80/434037180.db2.gz SOLWLDWIMMEKJA-QAPCUYQASA-N 2 1 320.525 3.256 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000285698677 434043412 /nfs/dbraw/zinc/04/34/12/434043412.db2.gz OTBVOZWCLJNQRV-BGIURUKPSA-N 2 1 324.415 3.337 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000285698677 434043424 /nfs/dbraw/zinc/04/34/24/434043424.db2.gz OTBVOZWCLJNQRV-BGIURUKPSA-N 2 1 324.415 3.337 20 0 DGADMP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@H]1CCCCN1 ZINC000422841552 434045899 /nfs/dbraw/zinc/04/58/99/434045899.db2.gz WKFHLSSJSWTKAL-RBUKOAKNSA-N 2 1 309.542 3.255 20 0 DGADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[NH+]1CCCCCC1 ZINC000412563441 293878196 /nfs/dbraw/zinc/87/81/96/293878196.db2.gz ZSSNLNMJPFPLRV-AWEZNQCLSA-N 2 1 321.440 3.090 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377785945 433996349 /nfs/dbraw/zinc/99/63/49/433996349.db2.gz RCVMMNQECOASRK-SJORKVTESA-N 2 1 303.450 3.005 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377785945 433996356 /nfs/dbraw/zinc/99/63/56/433996356.db2.gz RCVMMNQECOASRK-SJORKVTESA-N 2 1 303.450 3.005 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340224960 433997956 /nfs/dbraw/zinc/99/79/56/433997956.db2.gz FLWQVEJAAPSNBC-WDSOQIARSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340224960 433997966 /nfs/dbraw/zinc/99/79/66/433997966.db2.gz FLWQVEJAAPSNBC-WDSOQIARSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340224960 433997971 /nfs/dbraw/zinc/99/79/71/433997971.db2.gz FLWQVEJAAPSNBC-WDSOQIARSA-N 2 1 303.494 3.142 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C[C@@H]1c1ccccc1 ZINC000340233270 433999947 /nfs/dbraw/zinc/99/99/47/433999947.db2.gz SWSZXFUXLHFSCP-VQTJNVASSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C[C@@H]1c1ccccc1 ZINC000340233270 433999957 /nfs/dbraw/zinc/99/99/57/433999957.db2.gz SWSZXFUXLHFSCP-VQTJNVASSA-N 2 1 310.441 3.104 20 0 DGADMP CCCCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000414957592 293893872 /nfs/dbraw/zinc/89/38/72/293893872.db2.gz WCDBYLKYDJMOKC-HOCLYGCPSA-N 2 1 306.450 3.104 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422870104 434064390 /nfs/dbraw/zinc/06/43/90/434064390.db2.gz YLMSAMRWRMWEIY-QFBILLFUSA-N 3 1 303.494 3.005 20 0 DGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867337 434068480 /nfs/dbraw/zinc/06/84/80/434068480.db2.gz RXZDDMNMQXCLMA-FVVUREQNSA-N 2 1 307.526 3.150 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCCC[C@H]1C ZINC000422867337 434068484 /nfs/dbraw/zinc/06/84/84/434068484.db2.gz RXZDDMNMQXCLMA-FVVUREQNSA-N 2 1 307.526 3.150 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422875386 434070708 /nfs/dbraw/zinc/07/07/08/434070708.db2.gz FCJDSCIKQWLSBC-HOTGVXAUSA-N 3 1 318.509 3.011 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422873471 434071495 /nfs/dbraw/zinc/07/14/95/434071495.db2.gz ALWOUFSDNZZKMB-PXTPFGJHSA-N 2 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422873471 434071508 /nfs/dbraw/zinc/07/15/08/434071508.db2.gz ALWOUFSDNZZKMB-PXTPFGJHSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422873471 434071514 /nfs/dbraw/zinc/07/15/14/434071514.db2.gz ALWOUFSDNZZKMB-PXTPFGJHSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422875668 434071910 /nfs/dbraw/zinc/07/19/10/434071910.db2.gz FOEZCQAJMGAKDT-MBOZVWFJSA-N 3 1 315.505 3.136 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422873473 434072549 /nfs/dbraw/zinc/07/25/49/434072549.db2.gz ALWOUFSDNZZKMB-USYVTKNRSA-N 2 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422873473 434072555 /nfs/dbraw/zinc/07/25/55/434072555.db2.gz ALWOUFSDNZZKMB-USYVTKNRSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422873473 434072562 /nfs/dbraw/zinc/07/25/62/434072562.db2.gz ALWOUFSDNZZKMB-USYVTKNRSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422876006 434073520 /nfs/dbraw/zinc/07/35/20/434073520.db2.gz FSTUMSYRALMFRA-UAFMIMERSA-N 3 1 321.553 3.399 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422878642 434076306 /nfs/dbraw/zinc/07/63/06/434076306.db2.gz JLAIKXJHMOLJLT-OALUTQOASA-N 3 1 301.478 3.233 20 0 DGADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422878642 434076319 /nfs/dbraw/zinc/07/63/19/434076319.db2.gz JLAIKXJHMOLJLT-OALUTQOASA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881063 434077093 /nfs/dbraw/zinc/07/70/93/434077093.db2.gz NHFMRTORVVGLFS-OHQAAIJDSA-N 2 1 301.478 3.089 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422881744 434077330 /nfs/dbraw/zinc/07/73/30/434077330.db2.gz OHLQJFFVZRLDGJ-HUUCEWRRSA-N 2 1 316.367 3.377 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422880765 434077513 /nfs/dbraw/zinc/07/75/13/434077513.db2.gz MRAROQNLEAIBGU-IKGGRYGDSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCCOC1 ZINC000340351108 434078079 /nfs/dbraw/zinc/07/80/79/434078079.db2.gz NFPUXHBTBHBFPR-KANFNMMFSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCCOC1 ZINC000340351108 434078088 /nfs/dbraw/zinc/07/80/88/434078088.db2.gz NFPUXHBTBHBFPR-KANFNMMFSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000340351106 434078292 /nfs/dbraw/zinc/07/82/92/434078292.db2.gz NFPUXHBTBHBFPR-JCHJZTRSSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000340351106 434078301 /nfs/dbraw/zinc/07/83/01/434078301.db2.gz NFPUXHBTBHBFPR-JCHJZTRSSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882936 434081737 /nfs/dbraw/zinc/08/17/37/434081737.db2.gz PPTOKNPDUBRFJK-ABSDTBQOSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422886765 434082817 /nfs/dbraw/zinc/08/28/17/434082817.db2.gz XNPWZEKXYUJFEH-FUHIMQAGSA-N 3 1 315.505 3.278 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000340367964 434088875 /nfs/dbraw/zinc/08/88/75/434088875.db2.gz XQMCGHHFOLLVAY-BZSNNMDCSA-N 2 1 304.478 3.207 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000340367964 434088883 /nfs/dbraw/zinc/08/88/83/434088883.db2.gz XQMCGHHFOLLVAY-BZSNNMDCSA-N 2 1 304.478 3.207 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309744332 434095861 /nfs/dbraw/zinc/09/58/61/434095861.db2.gz SXNZPXNEYGNYNT-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340379538 434096743 /nfs/dbraw/zinc/09/67/43/434096743.db2.gz WCVZGNLTHBHUGW-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340379538 434096751 /nfs/dbraw/zinc/09/67/51/434096751.db2.gz WCVZGNLTHBHUGW-WOJBJXKFSA-N 2 1 309.457 3.358 20 0 DGADMP C[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783499 434098242 /nfs/dbraw/zinc/09/82/42/434098242.db2.gz LWJPECHEGPTPON-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000305151059 434048735 /nfs/dbraw/zinc/04/87/35/434048735.db2.gz ORHRWVUUGDHMRM-ZSZQSSIHSA-N 2 1 313.445 3.382 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340311008 434056459 /nfs/dbraw/zinc/05/64/59/434056459.db2.gz ZDQQNKJYMVUVDO-MSOLQXFVSA-N 2 1 304.478 3.210 20 0 DGADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340311008 434056470 /nfs/dbraw/zinc/05/64/70/434056470.db2.gz ZDQQNKJYMVUVDO-MSOLQXFVSA-N 2 1 304.478 3.210 20 0 DGADMP CCOC1CC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000310019030 434109349 /nfs/dbraw/zinc/10/93/49/434109349.db2.gz QEHHIKPCUXQVCF-HDYDNRTBSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1Cl ZINC000422934453 434116949 /nfs/dbraw/zinc/11/69/49/434116949.db2.gz FZSNMIYNLNPAMK-CXAGYDPISA-N 2 1 318.848 3.397 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000309880825 434101714 /nfs/dbraw/zinc/10/17/14/434101714.db2.gz VXFBXSWPXFPNAZ-WOJBJXKFSA-N 2 1 316.489 3.305 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000285973534 434124887 /nfs/dbraw/zinc/12/48/87/434124887.db2.gz HHCQOKHRMGDXRU-AEGPPILISA-N 2 1 306.450 3.146 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000285973534 434124899 /nfs/dbraw/zinc/12/48/99/434124899.db2.gz HHCQOKHRMGDXRU-AEGPPILISA-N 2 1 306.450 3.146 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000501465768 294141844 /nfs/dbraw/zinc/14/18/44/294141844.db2.gz GZKPBENQLGBIMA-INIZCTEOSA-N 2 1 304.478 3.468 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000502041906 294156311 /nfs/dbraw/zinc/15/63/11/294156311.db2.gz AHEIJADDZJOXRT-HSALFYBXSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000502041906 294156315 /nfs/dbraw/zinc/15/63/15/294156315.db2.gz AHEIJADDZJOXRT-HSALFYBXSA-N 2 1 316.489 3.182 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000502254991 294160697 /nfs/dbraw/zinc/16/06/97/294160697.db2.gz XPOILHYFUPHUNH-PKOBYXMFSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000502254991 294160699 /nfs/dbraw/zinc/16/06/99/294160699.db2.gz XPOILHYFUPHUNH-PKOBYXMFSA-N 2 1 302.462 3.174 20 0 DGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000502254991 294160703 /nfs/dbraw/zinc/16/07/03/294160703.db2.gz XPOILHYFUPHUNH-PKOBYXMFSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000502693627 294172857 /nfs/dbraw/zinc/17/28/57/294172857.db2.gz KBRGCAAVJVLLAE-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000502693627 294172860 /nfs/dbraw/zinc/17/28/60/294172860.db2.gz KBRGCAAVJVLLAE-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000502693627 294172864 /nfs/dbraw/zinc/17/28/64/294172864.db2.gz KBRGCAAVJVLLAE-WMZOPIPTSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1F ZINC000503863222 294202527 /nfs/dbraw/zinc/20/25/27/294202527.db2.gz ZGWMEPMWZGTJES-QAETUUGQSA-N 2 1 318.436 3.297 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)C2)cc1F ZINC000503907785 294204288 /nfs/dbraw/zinc/20/42/88/294204288.db2.gz JARQQYALJKVEBC-DNNBLBMLSA-N 2 1 306.425 3.010 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)C2)cc1F ZINC000503907785 294204289 /nfs/dbraw/zinc/20/42/89/294204289.db2.gz JARQQYALJKVEBC-DNNBLBMLSA-N 2 1 306.425 3.010 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2OC)C[C@@H]1C ZINC000505602843 294244998 /nfs/dbraw/zinc/24/49/98/294244998.db2.gz AICBCDAOAGBCHH-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2OC)C[C@@H]1C ZINC000505602843 294245000 /nfs/dbraw/zinc/24/50/00/294245000.db2.gz AICBCDAOAGBCHH-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2OC)C[C@@H]1C ZINC000505602843 294245001 /nfs/dbraw/zinc/24/50/01/294245001.db2.gz AICBCDAOAGBCHH-FUHWJXTLSA-N 2 1 304.478 3.432 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000507948248 294313892 /nfs/dbraw/zinc/31/38/92/294313892.db2.gz IIAPZKHHBBKHIX-QQFBHYJXSA-N 2 1 312.498 3.207 20 0 DGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000457381306 434134904 /nfs/dbraw/zinc/13/49/04/434134904.db2.gz QUYBBRTUFKGCNB-IBGZPJMESA-N 2 1 323.440 3.057 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(Cl)c1 ZINC000422950691 434135220 /nfs/dbraw/zinc/13/52/20/434135220.db2.gz WNISKUSJVOBLNO-KSSFIOAISA-N 2 1 318.848 3.267 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000353453639 434143839 /nfs/dbraw/zinc/14/38/39/434143839.db2.gz FWGONALPRAUZKQ-ZDUSSCGKSA-N 2 1 307.388 3.471 20 0 DGADMP CCCCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422967794 434145679 /nfs/dbraw/zinc/14/56/79/434145679.db2.gz COSMTQDDTTWTBH-FGTMMUONSA-N 2 1 317.477 3.271 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422999998 434156542 /nfs/dbraw/zinc/15/65/42/434156542.db2.gz GLSYRJRXBBURRT-LMMKCTJWSA-N 3 1 303.494 3.004 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000450410256 434159812 /nfs/dbraw/zinc/15/98/12/434159812.db2.gz LRPGKOUMHDVTNP-MHJFOBGBSA-N 2 1 321.553 3.446 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000423002725 434160929 /nfs/dbraw/zinc/16/09/29/434160929.db2.gz ZJPSIXMSRJNJTP-QAPCUYQASA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1CC(C)C ZINC000423002725 434160934 /nfs/dbraw/zinc/16/09/34/434160934.db2.gz ZJPSIXMSRJNJTP-QAPCUYQASA-N 2 1 318.509 3.010 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2O1 ZINC000363832613 434161856 /nfs/dbraw/zinc/16/18/56/434161856.db2.gz XBLDPAVWIIODOY-IRXDYDNUSA-N 2 1 316.445 3.048 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2O1 ZINC000363832613 434161866 /nfs/dbraw/zinc/16/18/66/434161866.db2.gz XBLDPAVWIIODOY-IRXDYDNUSA-N 2 1 316.445 3.048 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000363831975 434163495 /nfs/dbraw/zinc/16/34/95/434163495.db2.gz XBLDPAVWIIODOY-DLBZAZTESA-N 2 1 316.445 3.048 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000363831975 434163509 /nfs/dbraw/zinc/16/35/09/434163509.db2.gz XBLDPAVWIIODOY-DLBZAZTESA-N 2 1 316.445 3.048 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353479896 434164588 /nfs/dbraw/zinc/16/45/88/434164588.db2.gz HMRQDZFFXMZMIL-AWEZNQCLSA-N 2 1 323.447 3.113 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000450424421 434171938 /nfs/dbraw/zinc/17/19/38/434171938.db2.gz KQCFKFAOTYIBBZ-HOJAQTOUSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H](CC[NH2+][C@H](C)[C@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340526395 434183912 /nfs/dbraw/zinc/18/39/12/434183912.db2.gz NSWQBBGARPYLQD-LMMKCTJWSA-N 2 1 304.478 3.444 20 0 DGADMP COc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000295080214 434188641 /nfs/dbraw/zinc/18/86/41/434188641.db2.gz TVEKAVMRFWXKFM-HEHGZKQESA-N 2 1 310.869 3.209 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459473534 294480282 /nfs/dbraw/zinc/48/02/82/294480282.db2.gz WYHBUKOGJDNWPF-UGSOOPFHSA-N 2 1 306.425 3.118 20 0 DGADMP C[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353518087 434195481 /nfs/dbraw/zinc/19/54/81/434195481.db2.gz KTKGGKGRIMXINL-OJAHFUOMSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353526519 434203677 /nfs/dbraw/zinc/20/36/77/434203677.db2.gz JKUVYFPVJDZXKM-ACBHZAAOSA-N 2 1 304.478 3.036 20 0 DGADMP CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000295115448 434207538 /nfs/dbraw/zinc/20/75/38/434207538.db2.gz WSDRELVWNGISSN-ALOPSCKCSA-N 2 1 318.461 3.199 20 0 DGADMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000295115448 434207544 /nfs/dbraw/zinc/20/75/44/434207544.db2.gz WSDRELVWNGISSN-ALOPSCKCSA-N 2 1 318.461 3.199 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000357851211 434211344 /nfs/dbraw/zinc/21/13/44/434211344.db2.gz LTFJKYSFUBFNTE-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000357851211 434211353 /nfs/dbraw/zinc/21/13/53/434211353.db2.gz LTFJKYSFUBFNTE-NEWSRXKRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000357851212 434211559 /nfs/dbraw/zinc/21/15/59/434211559.db2.gz LTFJKYSFUBFNTE-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000357851212 434211569 /nfs/dbraw/zinc/21/15/69/434211569.db2.gz LTFJKYSFUBFNTE-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP c1ccc(C[NH+]2CCC(Nc3cc(C4CC4)cc[nH+]3)CC2)nc1 ZINC000353550668 434221158 /nfs/dbraw/zinc/22/11/58/434221158.db2.gz RTYLKJFFINIHIC-UHFFFAOYSA-N 2 1 308.429 3.431 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1c[nH+]ccc1N ZINC000423103452 434220006 /nfs/dbraw/zinc/22/00/06/434220006.db2.gz AOCDFAPDCGDYBF-GFCCVEGCSA-N 2 1 312.392 3.398 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1(C)C ZINC000423015826 434167379 /nfs/dbraw/zinc/16/73/79/434167379.db2.gz LHWMJXSXHYGUMS-QRIFCXAISA-N 2 1 302.462 3.129 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499357 434167659 /nfs/dbraw/zinc/16/76/59/434167659.db2.gz NAZMDJJXIVZTQX-RDJZCZTQSA-N 2 1 313.420 3.393 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000340499357 434167670 /nfs/dbraw/zinc/16/76/70/434167670.db2.gz NAZMDJJXIVZTQX-RDJZCZTQSA-N 2 1 313.420 3.393 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1(C)C ZINC000423015825 434168041 /nfs/dbraw/zinc/16/80/41/434168041.db2.gz LHWMJXSXHYGUMS-NBZXXOOGSA-N 2 1 302.462 3.129 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573014 434239677 /nfs/dbraw/zinc/23/96/77/434239677.db2.gz UBWYYUPZBAWHHO-DLBZAZTESA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353573014 434239683 /nfs/dbraw/zinc/23/96/83/434239683.db2.gz UBWYYUPZBAWHHO-DLBZAZTESA-N 2 1 321.509 3.006 20 0 DGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423131654 434240074 /nfs/dbraw/zinc/24/00/74/434240074.db2.gz BHARRCGHCNZCTQ-DLKVLKDVSA-N 2 1 323.278 3.283 20 0 DGADMP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000295178912 434240786 /nfs/dbraw/zinc/24/07/86/434240786.db2.gz VJWYDJFBMJFBOV-BHIYHBOVSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000346271568 434252677 /nfs/dbraw/zinc/25/26/77/434252677.db2.gz FMQUCZYYAVSYQE-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000346271568 434252686 /nfs/dbraw/zinc/25/26/86/434252686.db2.gz FMQUCZYYAVSYQE-UHFFFAOYSA-N 2 1 307.825 3.246 20 0 DGADMP C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1c[nH+]ccc1N ZINC000423156327 434252904 /nfs/dbraw/zinc/25/29/04/434252904.db2.gz SCHSKSGUPGIEAC-JTQLQIEISA-N 2 1 309.772 3.016 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H](C)CCO)cc1 ZINC000295201713 434254740 /nfs/dbraw/zinc/25/47/40/434254740.db2.gz YTNMARZBRKAPDV-HUUCEWRRSA-N 2 1 301.434 3.240 20 0 DGADMP COc1ncc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1Cl ZINC000423165493 434258946 /nfs/dbraw/zinc/25/89/46/434258946.db2.gz YDHNNJRFNCVVJJ-TZMCWYRMSA-N 2 1 311.857 3.144 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)O1 ZINC000379628947 434259773 /nfs/dbraw/zinc/25/97/73/434259773.db2.gz JGFMGYZYJGZBSP-QFHJOOASSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)O1 ZINC000379628947 434259782 /nfs/dbraw/zinc/25/97/82/434259782.db2.gz JGFMGYZYJGZBSP-QFHJOOASSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1COc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000379647162 434261508 /nfs/dbraw/zinc/26/15/08/434261508.db2.gz JZRFZFDSEFYEFF-PXNSSMCTSA-N 2 1 324.468 3.490 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)c1OC ZINC000423182586 434265049 /nfs/dbraw/zinc/26/50/49/434265049.db2.gz QLAHELALLQKWCK-AWEZNQCLSA-N 2 1 306.450 3.324 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382068334 434276580 /nfs/dbraw/zinc/27/65/80/434276580.db2.gz ROLMUIPQKYTSBT-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@H+]1CC[C@@H](NCC2([NH3+])CCCCC2)C[C@@H]1c1ccccc1 ZINC000423181748 434268314 /nfs/dbraw/zinc/26/83/14/434268314.db2.gz PKWCTEXZUSDKGJ-QZTJIDSGSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186999 434271737 /nfs/dbraw/zinc/27/17/37/434271737.db2.gz KSLXHRZVJSPFHU-WFASDCNBSA-N 2 1 300.368 3.368 20 0 DGADMP C[C@H](NCC1([NH3+])CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423188385 434272832 /nfs/dbraw/zinc/27/28/32/434272832.db2.gz YWEVHMUSIRFFIT-PKOBYXMFSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423187892 434273102 /nfs/dbraw/zinc/27/31/02/434273102.db2.gz YKWQTAVDNJATFR-HKUYNNGSSA-N 2 1 315.505 3.148 20 0 DGADMP CCc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)cc(C)[nH+]1 ZINC000286487714 434273349 /nfs/dbraw/zinc/27/33/49/434273349.db2.gz LZNFGUUEHZRGFX-UHFFFAOYSA-N 2 1 311.433 3.071 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423106055 434225403 /nfs/dbraw/zinc/22/54/03/434225403.db2.gz JHNWMOFVHCOZCN-RXABAKJHSA-N 2 1 302.462 3.068 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114003 434228972 /nfs/dbraw/zinc/22/89/72/434228972.db2.gz ZQTXYSASBDWRDR-JJRVBVJISA-N 2 1 311.901 3.438 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423114003 434228978 /nfs/dbraw/zinc/22/89/78/434228978.db2.gz ZQTXYSASBDWRDR-JJRVBVJISA-N 2 1 311.901 3.438 20 0 DGADMP CCOCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884810 434230308 /nfs/dbraw/zinc/23/03/08/434230308.db2.gz PZAUKAJWJCDUJN-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884810 434230319 /nfs/dbraw/zinc/23/03/19/434230319.db2.gz PZAUKAJWJCDUJN-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884810 434230333 /nfs/dbraw/zinc/23/03/33/434230333.db2.gz PZAUKAJWJCDUJN-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884810 434230342 /nfs/dbraw/zinc/23/03/42/434230342.db2.gz PZAUKAJWJCDUJN-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423117990 434230734 /nfs/dbraw/zinc/23/07/34/434230734.db2.gz YAGDWDQYNXXIIM-KLHDSHLOSA-N 2 1 310.388 3.230 20 0 DGADMP CCOCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884811 434230782 /nfs/dbraw/zinc/23/07/82/434230782.db2.gz PZAUKAJWJCDUJN-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884811 434230791 /nfs/dbraw/zinc/23/07/91/434230791.db2.gz PZAUKAJWJCDUJN-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884811 434230795 /nfs/dbraw/zinc/23/07/95/434230795.db2.gz PZAUKAJWJCDUJN-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000357884811 434230801 /nfs/dbraw/zinc/23/08/01/434230801.db2.gz PZAUKAJWJCDUJN-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499629 434232188 /nfs/dbraw/zinc/23/21/88/434232188.db2.gz JHQFXRPWUKQNHE-GOEBONIOSA-N 2 1 308.853 3.265 20 0 DGADMP Fc1cccc(Cl)c1CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340674134 434286064 /nfs/dbraw/zinc/28/60/64/434286064.db2.gz FFQBHZSORZHEMJ-UHFFFAOYSA-N 2 1 310.844 3.487 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)C[NH+](C)C ZINC000383716787 434287444 /nfs/dbraw/zinc/28/74/44/434287444.db2.gz UVKFLTYWAWYFRQ-JTQLQIEISA-N 2 1 319.674 3.390 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000384032966 434290932 /nfs/dbraw/zinc/29/09/32/434290932.db2.gz LRQVAEXOHBJOAP-PXNSSMCTSA-N 2 1 324.468 3.435 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218751 434291702 /nfs/dbraw/zinc/29/17/02/434291702.db2.gz VZKSXBDSHGULMH-JXFKEZNVSA-N 2 1 310.441 3.374 20 0 DGADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423227560 434295898 /nfs/dbraw/zinc/29/58/98/434295898.db2.gz WFLSUIZKMLPUIS-IJXRJRJASA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423227560 434295906 /nfs/dbraw/zinc/29/59/06/434295906.db2.gz WFLSUIZKMLPUIS-IJXRJRJASA-N 2 1 315.505 3.004 20 0 DGADMP C[C@H]([NH3+])CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423227560 434295919 /nfs/dbraw/zinc/29/59/19/434295919.db2.gz WFLSUIZKMLPUIS-IJXRJRJASA-N 2 1 315.505 3.004 20 0 DGADMP Cc1cnc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000340692726 434304231 /nfs/dbraw/zinc/30/42/31/434304231.db2.gz OEPXRMMUCPIUDQ-QGZVFWFLSA-N 2 1 316.493 3.262 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000348398857 434304321 /nfs/dbraw/zinc/30/43/21/434304321.db2.gz URVFCXLJZZICNZ-ZWKOTPCHSA-N 3 1 306.498 3.072 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000348398854 434304555 /nfs/dbraw/zinc/30/45/55/434304555.db2.gz URVFCXLJZZICNZ-ROUUACIJSA-N 3 1 306.498 3.072 20 0 DGADMP CN(c1ccccc1C[N@H+]1CCC12CCC2)C1CC[NH+](C)CC1 ZINC000353649890 434304826 /nfs/dbraw/zinc/30/48/26/434304826.db2.gz VATWZPRTCRQADP-UHFFFAOYSA-N 2 1 313.489 3.345 20 0 DGADMP C[C@H](NC[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423235062 434306273 /nfs/dbraw/zinc/30/62/73/434306273.db2.gz GEPIVJNHXJYWBH-DZFGPLHGSA-N 2 1 323.484 3.187 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415033 434311362 /nfs/dbraw/zinc/31/13/62/434311362.db2.gz XACNAWUGZHFPPS-LPHOPBHVSA-N 2 1 312.461 3.066 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348415033 434311371 /nfs/dbraw/zinc/31/13/71/434311371.db2.gz XACNAWUGZHFPPS-LPHOPBHVSA-N 2 1 312.461 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@@H+]1Cc1ccccc1 ZINC000358064419 434312789 /nfs/dbraw/zinc/31/27/89/434312789.db2.gz QKTLJOZHQIKADI-WBVHZDCISA-N 2 1 315.486 3.328 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@H+]1Cc1ccccc1 ZINC000358064419 434312800 /nfs/dbraw/zinc/31/28/00/434312800.db2.gz QKTLJOZHQIKADI-WBVHZDCISA-N 2 1 315.486 3.328 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423252385 434314628 /nfs/dbraw/zinc/31/46/28/434314628.db2.gz UCWXBXBCBUWMEA-XUVXKRRUSA-N 2 1 309.457 3.112 20 0 DGADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000423252384 434315663 /nfs/dbraw/zinc/31/56/63/434315663.db2.gz UCWXBXBCBUWMEA-UFYCRDLUSA-N 2 1 309.457 3.112 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000423259856 434318579 /nfs/dbraw/zinc/31/85/79/434318579.db2.gz FTRFTSARMKJCEJ-YOEHRIQHSA-N 2 1 318.461 3.406 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423260978 434320537 /nfs/dbraw/zinc/32/05/37/434320537.db2.gz RBQDRCDZIWROJG-NVXWUHKLSA-N 3 1 312.461 3.221 20 0 DGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C)c1 ZINC000287274025 434321322 /nfs/dbraw/zinc/32/13/22/434321322.db2.gz CPFFPHNVGJFQST-SFHVURJKSA-N 2 1 303.494 3.062 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000295342560 434321376 /nfs/dbraw/zinc/32/13/76/434321376.db2.gz IANOURUTRZRTAU-CRAIPNDOSA-N 2 1 304.478 3.168 20 0 DGADMP CC(C)c1[nH+]c(CN2CC[NH+](C3CCC3)CC2)c2ccccn21 ZINC000517382454 294672707 /nfs/dbraw/zinc/67/27/07/294672707.db2.gz QPJYARZVTNFHHY-UHFFFAOYSA-N 2 1 312.461 3.128 20 0 DGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC000366085974 434326416 /nfs/dbraw/zinc/32/64/16/434326416.db2.gz KOYRLUWSLASTCA-IRXDYDNUSA-N 2 1 306.498 3.155 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423269370 434328484 /nfs/dbraw/zinc/32/84/84/434328484.db2.gz FPXVHJWQKMMYJH-PKFCDNJMSA-N 2 1 317.260 3.476 20 0 DGADMP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000388343521 434330640 /nfs/dbraw/zinc/33/06/40/434330640.db2.gz KSQRYOCIVYNVLI-UZLBHIALSA-N 2 1 316.489 3.097 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)sc1Br ZINC000423275720 434332315 /nfs/dbraw/zinc/33/23/15/434332315.db2.gz NNNZGDOQSADTTK-UWVGGRQHSA-N 2 1 305.285 3.453 20 0 DGADMP CCOc1ccc(C[N@H+](CC)CCC[NH+]2CCCC2)cc1OC ZINC000340661858 434277071 /nfs/dbraw/zinc/27/70/71/434277071.db2.gz UODYDNGSPVQLMJ-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)CCC[NH+]2CCCC2)cc1OC ZINC000340661858 434277084 /nfs/dbraw/zinc/27/70/84/434277084.db2.gz UODYDNGSPVQLMJ-UHFFFAOYSA-N 2 1 320.477 3.402 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584217 434361112 /nfs/dbraw/zinc/36/11/12/434361112.db2.gz QXDNPSYBBDUVHL-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584217 434361124 /nfs/dbraw/zinc/36/11/24/434361124.db2.gz QXDNPSYBBDUVHL-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568275 434362091 /nfs/dbraw/zinc/36/20/91/434362091.db2.gz OBJLOIPZEJCPJN-MSOLQXFVSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000390568275 434362099 /nfs/dbraw/zinc/36/20/99/434362099.db2.gz OBJLOIPZEJCPJN-MSOLQXFVSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000390742230 434364936 /nfs/dbraw/zinc/36/49/36/434364936.db2.gz CUHQJNCIOHQMCG-SXLOBPIMSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)O1 ZINC000390711683 434365673 /nfs/dbraw/zinc/36/56/73/434365673.db2.gz WXSHQPNQHLMBHW-ZAWLATJESA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)O1 ZINC000390711683 434365682 /nfs/dbraw/zinc/36/56/82/434365682.db2.gz WXSHQPNQHLMBHW-ZAWLATJESA-N 2 1 316.489 3.443 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000423325619 434366598 /nfs/dbraw/zinc/36/65/98/434366598.db2.gz QIUXMFKESHUMTC-UONOGXRCSA-N 2 1 315.230 3.366 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCC1 ZINC000423325746 434366725 /nfs/dbraw/zinc/36/67/25/434366725.db2.gz LOCHMWSCZJKFNK-CYBMUJFWSA-N 2 1 300.324 3.044 20 0 DGADMP Fc1cccc(OC(F)F)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358185934 434374895 /nfs/dbraw/zinc/37/48/95/434374895.db2.gz HPIGKXFKOGNAOH-NEPJUHHUSA-N 2 1 314.351 3.144 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423366486 434384647 /nfs/dbraw/zinc/38/46/47/434384647.db2.gz LQMGSWDPCXNOGF-IQNGYNMSSA-N 3 1 315.505 3.289 20 0 DGADMP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370509 434385517 /nfs/dbraw/zinc/38/55/17/434385517.db2.gz GXGURYFNUDNLLC-ACAXCVFMSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423370509 434385523 /nfs/dbraw/zinc/38/55/23/434385523.db2.gz GXGURYFNUDNLLC-ACAXCVFMSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423370509 434385534 /nfs/dbraw/zinc/38/55/34/434385534.db2.gz GXGURYFNUDNLLC-ACAXCVFMSA-N 3 1 315.505 3.160 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]1 ZINC000423378467 434388943 /nfs/dbraw/zinc/38/89/43/434388943.db2.gz LCMJJNNHXLMYIJ-IXPVHAAZSA-N 2 1 313.367 3.208 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]CC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000437788197 434335721 /nfs/dbraw/zinc/33/57/21/434335721.db2.gz SREYXTFRORYIPN-HOJAQTOUSA-N 2 1 316.489 3.303 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745203 434390910 /nfs/dbraw/zinc/39/09/10/434390910.db2.gz HSXIVUFRBDAZSP-MAUKXSAKSA-N 2 1 300.446 3.267 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745203 434390920 /nfs/dbraw/zinc/39/09/20/434390920.db2.gz HSXIVUFRBDAZSP-MAUKXSAKSA-N 2 1 300.446 3.267 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(F)cn1 ZINC000423295183 434344048 /nfs/dbraw/zinc/34/40/48/434344048.db2.gz WIWUGHQUZZNKTO-NEPJUHHUSA-N 2 1 303.381 3.100 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293775 434346497 /nfs/dbraw/zinc/34/64/97/434346497.db2.gz ASCVCLWBOKHNHM-YTQUADARSA-N 2 1 303.494 3.004 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745203 434390931 /nfs/dbraw/zinc/39/09/31/434390931.db2.gz HSXIVUFRBDAZSP-MAUKXSAKSA-N 2 1 300.446 3.267 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000353745203 434390943 /nfs/dbraw/zinc/39/09/43/434390943.db2.gz HSXIVUFRBDAZSP-MAUKXSAKSA-N 2 1 300.446 3.267 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423299142 434348965 /nfs/dbraw/zinc/34/89/65/434348965.db2.gz PJJCHFNJBFBIBX-CJNGLKHVSA-N 2 1 305.422 3.338 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287410747 434354897 /nfs/dbraw/zinc/35/48/97/434354897.db2.gz JQAQUNSUDDYJEB-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000287410747 434354904 /nfs/dbraw/zinc/35/49/04/434354904.db2.gz JQAQUNSUDDYJEB-BWPNAZKDSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423310353 434355326 /nfs/dbraw/zinc/35/53/26/434355326.db2.gz ACRZLUBSDKJLMW-ZIAGYGMSSA-N 2 1 302.340 3.363 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2cccc(Br)c21 ZINC000423311989 434355455 /nfs/dbraw/zinc/35/54/55/434355455.db2.gz CIXDWDRCEIDPEH-IIMNLJJBSA-N 2 1 309.251 3.324 20 0 DGADMP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423319503 434358347 /nfs/dbraw/zinc/35/83/47/434358347.db2.gz FNWITRXTWUXLNR-SLFFLAALSA-N 3 1 315.505 3.006 20 0 DGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423322137 434360875 /nfs/dbraw/zinc/36/08/75/434360875.db2.gz NPZLZANIFNNPQH-KBPBESRZSA-N 2 1 309.251 3.072 20 0 DGADMP C[NH+]1CCC([NH2+]CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000287753713 434443080 /nfs/dbraw/zinc/44/30/80/434443080.db2.gz QDALYUKQTWAFOO-UHFFFAOYSA-N 2 1 309.866 3.176 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000397932685 434446820 /nfs/dbraw/zinc/44/68/20/434446820.db2.gz MTIULSOOIKPZHS-QAPCUYQASA-N 2 1 304.503 3.177 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[N@H+]1C1CC1 ZINC000423391329 434399749 /nfs/dbraw/zinc/39/97/49/434399749.db2.gz KUOHHJHRWFMYNY-WNYOCNMUSA-N 2 1 309.457 3.054 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752281 434405044 /nfs/dbraw/zinc/40/50/44/434405044.db2.gz RWDKNXGFSDZOJE-AAEUAGOBSA-N 2 1 300.368 3.409 20 0 DGADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423401410 434406818 /nfs/dbraw/zinc/40/68/18/434406818.db2.gz XQCKTTCXINERQD-WDEREUQCSA-N 2 1 317.246 3.107 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103777 434407594 /nfs/dbraw/zinc/40/75/94/434407594.db2.gz VNZXLLPVLGUJQI-CZUORRHYSA-N 2 1 318.490 3.443 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103777 434407602 /nfs/dbraw/zinc/40/76/02/434407602.db2.gz VNZXLLPVLGUJQI-CZUORRHYSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103777 434407614 /nfs/dbraw/zinc/40/76/14/434407614.db2.gz VNZXLLPVLGUJQI-CZUORRHYSA-N 2 1 318.490 3.443 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC000438103777 434407621 /nfs/dbraw/zinc/40/76/21/434407621.db2.gz VNZXLLPVLGUJQI-CZUORRHYSA-N 2 1 318.490 3.443 20 0 DGADMP COC[C@]1(C[NH2+][C@H](CC2CCC2)c2ccccc2)CCC[NH2+]1 ZINC000423415132 434411416 /nfs/dbraw/zinc/41/14/16/434411416.db2.gz OQGQFSZDERKOHE-RTBURBONSA-N 2 1 302.462 3.276 20 0 DGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccc(F)cc1 ZINC000438113088 434413897 /nfs/dbraw/zinc/41/38/97/434413897.db2.gz AQTQMCHNHSFFKK-GRGSLBFTSA-N 2 1 320.452 3.113 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1c1ccccc1 ZINC000423429255 434420745 /nfs/dbraw/zinc/42/07/45/434420745.db2.gz SEDAVWNHOXNSBN-QGZVKYPTSA-N 3 1 315.505 3.177 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1c1ccccc1 ZINC000423429255 434420752 /nfs/dbraw/zinc/42/07/52/434420752.db2.gz SEDAVWNHOXNSBN-QGZVKYPTSA-N 3 1 315.505 3.177 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396677204 434427784 /nfs/dbraw/zinc/42/77/84/434427784.db2.gz UFYORXPYDIBSJE-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423448092 434428219 /nfs/dbraw/zinc/42/82/19/434428219.db2.gz DTTGTVXYEAYEIW-IVMQYODDSA-N 3 1 303.494 3.147 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423459132 434434007 /nfs/dbraw/zinc/43/40/07/434434007.db2.gz HRXRJJUUCAAJCQ-SKDRFNHKSA-N 2 1 303.269 3.289 20 0 DGADMP CN(Cc1cc(Cl)cc2c1OCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000340917153 434434073 /nfs/dbraw/zinc/43/40/73/434434073.db2.gz NLZTVQGDVPOXFR-ZDUSSCGKSA-N 2 1 308.853 3.049 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)on2)cc1 ZINC000397394939 434437990 /nfs/dbraw/zinc/43/79/90/434437990.db2.gz FVHGFADTNVUMKZ-UXLLHSPISA-N 2 1 313.445 3.455 20 0 DGADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423500143 434462538 /nfs/dbraw/zinc/46/25/38/434462538.db2.gz CTOWJZUTQCTCDQ-GOEBONIOSA-N 2 1 308.491 3.216 20 0 DGADMP COc1cccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC000295976004 434462815 /nfs/dbraw/zinc/46/28/15/434462815.db2.gz OHNPNGZBDPMPTF-DLZDZTESSA-N 2 1 314.473 3.231 20 0 DGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)c(F)c1 ZINC000423516620 434469410 /nfs/dbraw/zinc/46/94/10/434469410.db2.gz AWBZHNDYZMRTPW-SNVBAGLBSA-N 2 1 315.230 3.381 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000348747209 434472011 /nfs/dbraw/zinc/47/20/11/434472011.db2.gz IPPOFDBHZLMDRJ-RTBURBONSA-N 2 1 320.477 3.050 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423517952 434472432 /nfs/dbraw/zinc/47/24/32/434472432.db2.gz UTQFGFMKXOSOCV-ADEKHHIBSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)ccc1F ZINC000423529317 434476554 /nfs/dbraw/zinc/47/65/54/434476554.db2.gz PPBIXTURXYLPFM-SNVBAGLBSA-N 2 1 315.230 3.381 20 0 DGADMP COC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423527473 434477792 /nfs/dbraw/zinc/47/77/92/434477792.db2.gz MOIVPHDCBWBWQQ-OAHLLOKOSA-N 2 1 316.367 3.125 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000400681495 434489890 /nfs/dbraw/zinc/48/98/90/434489890.db2.gz WKYPPYPIIXQMLK-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000400681495 434489897 /nfs/dbraw/zinc/48/98/97/434489897.db2.gz WKYPPYPIIXQMLK-YZGWKJHDSA-N 2 1 316.489 3.446 20 0 DGADMP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)Sc2sccc21 ZINC000360054577 434493403 /nfs/dbraw/zinc/49/34/03/434493403.db2.gz NMSLRHSUHUXZMN-OCCSQVGLSA-N 2 1 314.520 3.231 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)Sc2sccc21 ZINC000360054577 434493412 /nfs/dbraw/zinc/49/34/12/434493412.db2.gz NMSLRHSUHUXZMN-OCCSQVGLSA-N 2 1 314.520 3.231 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844864 434500735 /nfs/dbraw/zinc/50/07/35/434500735.db2.gz UGTGICGRTMTPGO-BPQIPLTHSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000401844864 434500742 /nfs/dbraw/zinc/50/07/42/434500742.db2.gz UGTGICGRTMTPGO-BPQIPLTHSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401875951 434500762 /nfs/dbraw/zinc/50/07/62/434500762.db2.gz FCMNCLKKSWGYOV-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423490926 434452952 /nfs/dbraw/zinc/45/29/52/434452952.db2.gz YEEQQDKUCJLBKO-YSIASYRMSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423490926 434452960 /nfs/dbraw/zinc/45/29/60/434452960.db2.gz YEEQQDKUCJLBKO-YSIASYRMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000404290742 434510550 /nfs/dbraw/zinc/51/05/50/434510550.db2.gz KVEHSBTWMDWCTN-GWCFXTLKSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000404290742 434510557 /nfs/dbraw/zinc/51/05/57/434510557.db2.gz KVEHSBTWMDWCTN-GWCFXTLKSA-N 2 1 317.296 3.460 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@H]1CC[NH3+] ZINC000404351050 434510661 /nfs/dbraw/zinc/51/06/61/434510661.db2.gz JHFFONUBLULZMT-CJNGLKHVSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@H]1CC[NH3+] ZINC000404351050 434510668 /nfs/dbraw/zinc/51/06/68/434510668.db2.gz JHFFONUBLULZMT-CJNGLKHVSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000423726660 434520704 /nfs/dbraw/zinc/52/07/04/434520704.db2.gz KAAXFTYPSTYKII-HNNXBMFYSA-N 2 1 317.477 3.043 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCOc3ccccc3F)C2)CC1 ZINC000366878375 434529633 /nfs/dbraw/zinc/52/96/33/434529633.db2.gz DMHJPBFPUTVDCG-UHFFFAOYSA-N 2 1 306.425 3.012 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C)C[C@@H]1C ZINC000438818626 434531607 /nfs/dbraw/zinc/53/16/07/434531607.db2.gz JNASUGILXQLJCD-IRXDYDNUSA-N 2 1 317.477 3.128 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000451058437 434549105 /nfs/dbraw/zinc/54/91/05/434549105.db2.gz VOWSIHJZRSSLTJ-HKUYNNGSSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000451058437 434549108 /nfs/dbraw/zinc/54/91/08/434549108.db2.gz VOWSIHJZRSSLTJ-HKUYNNGSSA-N 2 1 307.526 3.056 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000451058437 434549114 /nfs/dbraw/zinc/54/91/14/434549114.db2.gz VOWSIHJZRSSLTJ-HKUYNNGSSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000360238325 434556658 /nfs/dbraw/zinc/55/66/58/434556658.db2.gz MVVJBHAEMTWFJR-RBUKOAKNSA-N 2 1 302.462 3.289 20 0 DGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525486412 295017833 /nfs/dbraw/zinc/01/78/33/295017833.db2.gz SFCWXEIJUOJCQI-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000525486412 295017834 /nfs/dbraw/zinc/01/78/34/295017834.db2.gz SFCWXEIJUOJCQI-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP C[NH+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525486412 295017835 /nfs/dbraw/zinc/01/78/35/295017835.db2.gz SFCWXEIJUOJCQI-HNNXBMFYSA-N 2 1 310.869 3.383 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2Cl)c1 ZINC000527652554 295109997 /nfs/dbraw/zinc/10/99/97/295109997.db2.gz FLJCMUOPPDXPPJ-UHFFFAOYSA-N 2 1 303.837 3.477 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2Cl)c1 ZINC000527652554 295109998 /nfs/dbraw/zinc/10/99/98/295109998.db2.gz FLJCMUOPPDXPPJ-UHFFFAOYSA-N 2 1 303.837 3.477 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H]1SC ZINC000459384429 434572881 /nfs/dbraw/zinc/57/28/81/434572881.db2.gz WAFAMUPPYOYMDD-ZACQAIPSSA-N 2 1 314.539 3.140 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CC34CC4)CC2)oc1C ZINC000527864880 295142164 /nfs/dbraw/zinc/14/21/64/295142164.db2.gz UDUJCHMVPQSIMI-PBHICJAKSA-N 2 1 317.477 3.282 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000527997906 295162754 /nfs/dbraw/zinc/16/27/54/295162754.db2.gz XKHOQKLRCRNPLL-QHRIQVFBSA-N 2 1 317.452 3.476 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000528414042 295210566 /nfs/dbraw/zinc/21/05/66/295210566.db2.gz ASLSNYBKOXJCJB-JCGIZDLHSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000528414042 295210569 /nfs/dbraw/zinc/21/05/69/295210569.db2.gz ASLSNYBKOXJCJB-JCGIZDLHSA-N 2 1 308.441 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000528414042 295210570 /nfs/dbraw/zinc/21/05/70/295210570.db2.gz ASLSNYBKOXJCJB-JCGIZDLHSA-N 2 1 308.441 3.175 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414684160 295223636 /nfs/dbraw/zinc/22/36/36/295223636.db2.gz UXGNXMIVVCGVKN-ZOBUZTSGSA-N 2 1 318.461 3.229 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000420295282 295241191 /nfs/dbraw/zinc/24/11/91/295241191.db2.gz CCWRFYHQDHEDRU-NJAFHUGGSA-N 2 1 320.502 3.098 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452062466 434584369 /nfs/dbraw/zinc/58/43/69/434584369.db2.gz SLZYVOMATWZLQX-ZBFHGGJFSA-N 2 1 308.491 3.026 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@@H](C)[C@H]3C)sc2C1 ZINC000418132702 434595637 /nfs/dbraw/zinc/59/56/37/434595637.db2.gz ZLGJUTZWDDFWKE-MGPQQGTHSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)[C@@H](C)[C@H]3C)sc2C1 ZINC000418132702 434595643 /nfs/dbraw/zinc/59/56/43/434595643.db2.gz ZLGJUTZWDDFWKE-MGPQQGTHSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)[C@@H](C)[C@H]3C)sc2C1 ZINC000418132702 434595651 /nfs/dbraw/zinc/59/56/51/434595651.db2.gz ZLGJUTZWDDFWKE-MGPQQGTHSA-N 2 1 307.507 3.386 20 0 DGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)[C@@H](C)[C@H]3C)sc2C1 ZINC000418132702 434595657 /nfs/dbraw/zinc/59/56/57/434595657.db2.gz ZLGJUTZWDDFWKE-MGPQQGTHSA-N 2 1 307.507 3.386 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420378925 295390127 /nfs/dbraw/zinc/39/01/27/295390127.db2.gz UTKOHTFIAAXZMW-NUJGCVRESA-N 2 1 302.462 3.468 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354102300 434616846 /nfs/dbraw/zinc/61/68/46/434616846.db2.gz ZKYNFRXXVXIBRV-SFHVURJKSA-N 2 1 318.509 3.074 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354102300 434616852 /nfs/dbraw/zinc/61/68/52/434616852.db2.gz ZKYNFRXXVXIBRV-SFHVURJKSA-N 2 1 318.509 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000354102300 434616858 /nfs/dbraw/zinc/61/68/58/434616858.db2.gz ZKYNFRXXVXIBRV-SFHVURJKSA-N 2 1 318.509 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000354102300 434616864 /nfs/dbraw/zinc/61/68/64/434616864.db2.gz ZKYNFRXXVXIBRV-SFHVURJKSA-N 2 1 318.509 3.074 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354100951 434618061 /nfs/dbraw/zinc/61/80/61/434618061.db2.gz PWKVWCYQSJEULA-ZCNNSNEGSA-N 2 1 316.489 3.223 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000354096259 434618849 /nfs/dbraw/zinc/61/88/49/434618849.db2.gz IEMDDIUJJDGRHB-QGZVFWFLSA-N 2 1 322.518 3.341 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000360602994 434645299 /nfs/dbraw/zinc/64/52/99/434645299.db2.gz AOSGUCZLZRWCCG-OALUTQOASA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000360602994 434645308 /nfs/dbraw/zinc/64/53/08/434645308.db2.gz AOSGUCZLZRWCCG-OALUTQOASA-N 2 1 313.445 3.170 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000360602994 434645314 /nfs/dbraw/zinc/64/53/14/434645314.db2.gz AOSGUCZLZRWCCG-OALUTQOASA-N 2 1 313.445 3.170 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000354106229 434621204 /nfs/dbraw/zinc/62/12/04/434621204.db2.gz ICPXMGIUOSPHKE-GOSISDBHSA-N 2 1 315.461 3.101 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000349208597 434635475 /nfs/dbraw/zinc/63/54/75/434635475.db2.gz MIJAGOFMAOFLAU-ZHALLVOQSA-N 2 1 316.489 3.226 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000360587172 434642444 /nfs/dbraw/zinc/64/24/44/434642444.db2.gz ASQYKQOPHOFSDF-INIZCTEOSA-N 2 1 319.424 3.471 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H]1C ZINC000354156714 434645124 /nfs/dbraw/zinc/64/51/24/434645124.db2.gz BGURULANXQNSHZ-GJGATLCTSA-N 2 1 324.509 3.064 20 0 DGADMP CCCn1c2ccccc2nc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459747032 434694970 /nfs/dbraw/zinc/69/49/70/434694970.db2.gz ZPKGXDIATPHLQI-INIZCTEOSA-N 2 1 314.477 3.268 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000459747107 434695598 /nfs/dbraw/zinc/69/55/98/434695598.db2.gz ZUYAODCWOFDZJA-KLAILNCOSA-N 2 1 324.509 3.208 20 0 DGADMP Cc1ncc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1-c1ccccc1 ZINC000459745911 434696000 /nfs/dbraw/zinc/69/60/00/434696000.db2.gz YUZOCSBZZZMTDR-QGZVFWFLSA-N 2 1 312.461 3.002 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000360604316 434646360 /nfs/dbraw/zinc/64/63/60/434646360.db2.gz KLEJLYWCYIMJTF-QYZOEREBSA-N 2 1 302.462 3.059 20 0 DGADMP C[C@H]([NH2+]CCCc1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000360619237 434648905 /nfs/dbraw/zinc/64/89/05/434648905.db2.gz LEOARMJMUUAJAY-WMZOPIPTSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000360619669 434649311 /nfs/dbraw/zinc/64/93/11/434649311.db2.gz LTZPEXWEQYVZSR-SJLPKXTDSA-N 2 1 321.534 3.301 20 0 DGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000360619669 434649315 /nfs/dbraw/zinc/64/93/15/434649315.db2.gz LTZPEXWEQYVZSR-SJLPKXTDSA-N 2 1 321.534 3.301 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223934 434676335 /nfs/dbraw/zinc/67/63/35/434676335.db2.gz MAUWRAICXQVXMB-SJLPKXTDSA-N 2 1 317.477 3.047 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2Br)C1 ZINC000459723830 434677148 /nfs/dbraw/zinc/67/71/48/434677148.db2.gz DAHYOMBFLDTHQR-ZDUSSCGKSA-N 2 1 311.267 3.271 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285579 434678295 /nfs/dbraw/zinc/67/82/95/434678295.db2.gz FXQFZPYZXXTKSK-MRXNPFEDSA-N 2 1 302.462 3.092 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)cc2)C1 ZINC000459733467 434682522 /nfs/dbraw/zinc/68/25/22/434682522.db2.gz NNKSACVQOSUOHM-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459732823 434683375 /nfs/dbraw/zinc/68/33/75/434683375.db2.gz NBSVAERBLZFIKA-INIZCTEOSA-N 2 1 306.498 3.076 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)c3cccnc13)CC[NH2+]CC2 ZINC000424299815 434684801 /nfs/dbraw/zinc/68/48/01/434684801.db2.gz VXDAYNYATQZQLS-CQSZACIVSA-N 2 1 313.420 3.338 20 0 DGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411228900 434750010 /nfs/dbraw/zinc/75/00/10/434750010.db2.gz NJXZXPXMJRLZJR-LJQANCHMSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411268340 434752288 /nfs/dbraw/zinc/75/22/88/434752288.db2.gz FWKNGSZKOHBDPM-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000419235039 434753720 /nfs/dbraw/zinc/75/37/20/434753720.db2.gz YMCMCQNBNQWJLK-SFHVURJKSA-N 2 1 305.466 3.045 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2ccnc2)cc1 ZINC000349412307 434708359 /nfs/dbraw/zinc/70/83/59/434708359.db2.gz BNBXHIZDCSFYKW-UHFFFAOYSA-N 2 1 300.450 3.036 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000459772532 434712012 /nfs/dbraw/zinc/71/20/12/434712012.db2.gz IPBBSHOHUHHNPZ-KRWDZBQOSA-N 2 1 313.445 3.087 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3c(s1)C[C@H](C)CC3)CC[NH2+]CC2 ZINC000424374626 434714277 /nfs/dbraw/zinc/71/42/77/434714277.db2.gz IKBSLSSQTMNCPV-ZIAGYGMSSA-N 2 1 319.518 3.232 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424375404 434714757 /nfs/dbraw/zinc/71/47/57/434714757.db2.gz JRYSMEXUPGDZMO-KRWDZBQOSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])sc1Br ZINC000424367361 434715365 /nfs/dbraw/zinc/71/53/65/434715365.db2.gz LPMUOWGFOWZBHB-GHMZBOCLSA-N 2 1 303.269 3.179 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@]3(C)CC=CCC3)sc2C1 ZINC000459779532 434715435 /nfs/dbraw/zinc/71/54/35/434715435.db2.gz ZYGYCUYEUFLREE-QGZVFWFLSA-N 2 1 305.491 3.498 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@]3(C)CC=CCC3)sc2C1 ZINC000459779532 434715439 /nfs/dbraw/zinc/71/54/39/434715439.db2.gz ZYGYCUYEUFLREE-QGZVFWFLSA-N 2 1 305.491 3.498 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCC(F)F)cc1)CC[NH2+]CC2 ZINC000424386545 434717443 /nfs/dbraw/zinc/71/74/43/434717443.db2.gz XJHFXENFEWXEJA-AWEZNQCLSA-N 2 1 324.415 3.295 20 0 DGADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ccc1C[NH+]1CCCCC1 ZINC000411183812 434739402 /nfs/dbraw/zinc/73/94/02/434739402.db2.gz DEQVMJXOUCWVTJ-WOJBJXKFSA-N 2 1 314.473 3.426 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411343787 434766994 /nfs/dbraw/zinc/76/69/94/434766994.db2.gz HPYSTXODSVFICA-QGZVFWFLSA-N 2 1 308.510 3.268 20 0 DGADMP CC[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OC ZINC000419274177 434760222 /nfs/dbraw/zinc/76/02/22/434760222.db2.gz CGBRWXADUWEENG-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441411013 434765306 /nfs/dbraw/zinc/76/53/06/434765306.db2.gz MDJKOFVLDMPERU-FUHWJXTLSA-N 2 1 322.493 3.059 20 0 DGADMP C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411398121 434772663 /nfs/dbraw/zinc/77/26/63/434772663.db2.gz AXWVFLRJWAZKMG-PXNSSMCTSA-N 2 1 316.489 3.408 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCCc3ccccc32)CC1(C)C ZINC000442868580 434773866 /nfs/dbraw/zinc/77/38/66/434773866.db2.gz GUZHHAAHBBFOAQ-IBGZPJMESA-N 2 1 315.505 3.070 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453054143 434784597 /nfs/dbraw/zinc/78/45/97/434784597.db2.gz AGZDBOKTDIKGRO-UFYCRDLUSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000445307242 434794507 /nfs/dbraw/zinc/79/45/07/434794507.db2.gz ICRSYCGOJSAVNN-INIZCTEOSA-N 2 1 316.489 3.015 20 0 DGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000445307242 434794511 /nfs/dbraw/zinc/79/45/11/434794511.db2.gz ICRSYCGOJSAVNN-INIZCTEOSA-N 2 1 316.489 3.015 20 0 DGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000445307243 434795722 /nfs/dbraw/zinc/79/57/22/434795722.db2.gz ICRSYCGOJSAVNN-MRXNPFEDSA-N 2 1 316.489 3.015 20 0 DGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000445307243 434795727 /nfs/dbraw/zinc/79/57/27/434795727.db2.gz ICRSYCGOJSAVNN-MRXNPFEDSA-N 2 1 316.489 3.015 20 0 DGADMP C[N@@H+](CCCCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411695458 434818111 /nfs/dbraw/zinc/81/81/11/434818111.db2.gz RTAUQYPUOLYMTG-UHFFFAOYSA-N 2 1 304.478 3.267 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000453163170 434820096 /nfs/dbraw/zinc/82/00/96/434820096.db2.gz CRRMPMWKFKOAAN-NZSAHSFTSA-N 2 1 324.472 3.218 20 0 DGADMP CC1(C)[C@@H](O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411740171 434824888 /nfs/dbraw/zinc/82/48/88/434824888.db2.gz BRLKUHJAJGGBRK-SFHVURJKSA-N 2 1 302.462 3.018 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000411765056 434826275 /nfs/dbraw/zinc/82/62/75/434826275.db2.gz IOOWTGAYEWAEMW-FQEVSTJZSA-N 2 1 314.473 3.427 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453233568 434837348 /nfs/dbraw/zinc/83/73/48/434837348.db2.gz WMWBWEZXEOTRBJ-LULLPPNCSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)OC ZINC000453245998 434837890 /nfs/dbraw/zinc/83/78/90/434837890.db2.gz GOGGOHMRKWDBJN-WTGUMLROSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000521272013 434878469 /nfs/dbraw/zinc/87/84/69/434878469.db2.gz QOBQMTGSBOKRGO-VQIMIIECSA-N 2 1 324.472 3.000 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000521272013 434878473 /nfs/dbraw/zinc/87/84/73/434878473.db2.gz QOBQMTGSBOKRGO-VQIMIIECSA-N 2 1 324.472 3.000 20 0 DGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000637856652 434893166 /nfs/dbraw/zinc/89/31/66/434893166.db2.gz HGOCFCYJSIVGEA-YJBOKZPZSA-N 2 1 323.440 3.167 20 0 DGADMP CCCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462115661 434900965 /nfs/dbraw/zinc/90/09/65/434900965.db2.gz IFNRHYURWHHLMT-OALUTQOASA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115661 434900969 /nfs/dbraw/zinc/90/09/69/434900969.db2.gz IFNRHYURWHHLMT-OALUTQOASA-N 2 1 304.478 3.182 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(OC)s2)CC1 ZINC000637904102 434906440 /nfs/dbraw/zinc/90/64/40/434906440.db2.gz AABFDUYZDPEECT-UHFFFAOYSA-N 2 1 311.495 3.096 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000573648874 434914160 /nfs/dbraw/zinc/91/41/60/434914160.db2.gz XRROMBKPCFRXDM-AOIWGVFYSA-N 2 1 309.542 3.348 20 0 DGADMP COc1nc(C)cc(C)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554215425 434917939 /nfs/dbraw/zinc/91/79/39/434917939.db2.gz MWWWEJMRYBBHQH-UHFFFAOYSA-N 2 1 319.493 3.259 20 0 DGADMP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412085605 434864739 /nfs/dbraw/zinc/86/47/39/434864739.db2.gz OGZIMBHZXNPBOA-XLIONFOSSA-N 2 1 316.489 3.265 20 0 DGADMP CCCC[C@H](COC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463130402 434947139 /nfs/dbraw/zinc/94/71/39/434947139.db2.gz VTEUKCFMHHNEHE-HXUWFJFHSA-N 2 1 318.505 3.488 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000554817686 434948314 /nfs/dbraw/zinc/94/83/14/434948314.db2.gz RJSWBXKDMLEMPK-BHIYHBOVSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000554817686 434948317 /nfs/dbraw/zinc/94/83/17/434948317.db2.gz RJSWBXKDMLEMPK-BHIYHBOVSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000554817686 434948321 /nfs/dbraw/zinc/94/83/21/434948321.db2.gz RJSWBXKDMLEMPK-BHIYHBOVSA-N 2 1 318.505 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000555003283 434955688 /nfs/dbraw/zinc/95/56/88/434955688.db2.gz RIWBOAFMOJOVSY-KBMXLJTQSA-N 2 1 314.395 3.337 20 0 DGADMP CC[N@@H+](CCC[C@H]1CCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638139812 434961498 /nfs/dbraw/zinc/96/14/98/434961498.db2.gz OZPDMYAEQYMOCW-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@H]1CCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139812 434961502 /nfs/dbraw/zinc/96/15/02/434961502.db2.gz OZPDMYAEQYMOCW-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@H]1CCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139812 434961505 /nfs/dbraw/zinc/96/15/05/434961505.db2.gz OZPDMYAEQYMOCW-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000574256163 434964088 /nfs/dbraw/zinc/96/40/88/434964088.db2.gz LIAXIFUWNAHDIJ-GPMSIDNRSA-N 2 1 320.452 3.225 20 0 DGADMP C[C@H](C[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)CO)c1ccccc1 ZINC000554289039 434920478 /nfs/dbraw/zinc/92/04/78/434920478.db2.gz JLVQYZCZQFLTRO-MOPGFXCFSA-N 2 1 318.505 3.349 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000462797923 434929933 /nfs/dbraw/zinc/92/99/33/434929933.db2.gz KKKQEDRPFLWFIG-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000462797923 434929935 /nfs/dbraw/zinc/92/99/35/434929935.db2.gz KKKQEDRPFLWFIG-OAHLLOKOSA-N 2 1 308.441 3.292 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000573886018 434934424 /nfs/dbraw/zinc/93/44/24/434934424.db2.gz DIUUQIVMAXJYGX-CQSZACIVSA-N 2 1 323.447 3.113 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000573886018 434934426 /nfs/dbraw/zinc/93/44/26/434934426.db2.gz DIUUQIVMAXJYGX-CQSZACIVSA-N 2 1 323.447 3.113 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)ccn1 ZINC000638367381 435014449 /nfs/dbraw/zinc/01/44/49/435014449.db2.gz UYRVRYUKIXDNMZ-SJORKVTESA-N 2 1 319.493 3.265 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccn1 ZINC000638365559 435014544 /nfs/dbraw/zinc/01/45/44/435014544.db2.gz FYGMZAGBASUYDY-DLBZAZTESA-N 2 1 319.493 3.123 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638377326 435017360 /nfs/dbraw/zinc/01/73/60/435017360.db2.gz HMDHXFWVQQTYBQ-CRAIPNDOSA-N 2 1 304.503 3.443 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638389315 435020808 /nfs/dbraw/zinc/02/08/08/435020808.db2.gz FEWKHEHULXMGIK-MJGOQNOKSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638389315 435020812 /nfs/dbraw/zinc/02/08/12/435020812.db2.gz FEWKHEHULXMGIK-MJGOQNOKSA-N 2 1 300.446 3.123 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638446810 435032443 /nfs/dbraw/zinc/03/24/43/435032443.db2.gz SEVMXZJEACCYNR-SUMDDJOVSA-N 2 1 302.462 3.227 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638446810 435032446 /nfs/dbraw/zinc/03/24/46/435032446.db2.gz SEVMXZJEACCYNR-SUMDDJOVSA-N 2 1 302.462 3.227 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000556094584 434995955 /nfs/dbraw/zinc/99/59/55/434995955.db2.gz XJENBUQDAVPURJ-LTFXXXRZSA-N 2 1 314.473 3.225 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000556094584 434995957 /nfs/dbraw/zinc/99/59/57/434995957.db2.gz XJENBUQDAVPURJ-LTFXXXRZSA-N 2 1 314.473 3.225 20 0 DGADMP CC(C)O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000638321823 435005743 /nfs/dbraw/zinc/00/57/43/435005743.db2.gz QCJVQAZRUBKPIZ-LJQANCHMSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638449031 435033263 /nfs/dbraw/zinc/03/32/63/435033263.db2.gz ZQALKEOTCIDKOB-MAUKXSAKSA-N 2 1 322.518 3.365 20 0 DGADMP CO[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638449031 435033268 /nfs/dbraw/zinc/03/32/68/435033268.db2.gz ZQALKEOTCIDKOB-MAUKXSAKSA-N 2 1 322.518 3.365 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638627679 435060511 /nfs/dbraw/zinc/06/05/11/435060511.db2.gz SVTWTIMZAYWFCU-MISYRCLQSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638627679 435060514 /nfs/dbraw/zinc/06/05/14/435060514.db2.gz SVTWTIMZAYWFCU-MISYRCLQSA-N 2 1 316.489 3.351 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)[C@@H]1c1cccs1 ZINC000638669768 435066694 /nfs/dbraw/zinc/06/66/94/435066694.db2.gz BHTGSMQXYKVFNN-HLLBOEOZSA-N 2 1 308.491 3.290 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)[C@@H]1c1cccs1 ZINC000638669768 435066700 /nfs/dbraw/zinc/06/67/00/435066700.db2.gz BHTGSMQXYKVFNN-HLLBOEOZSA-N 2 1 308.491 3.290 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cc(C)ccc2C)C[C@@H]1C ZINC000531140115 435075183 /nfs/dbraw/zinc/07/51/83/435075183.db2.gz MVEKSGVDPDGUFR-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cc(C)ccc2C)C[C@@H]1C ZINC000531140115 435075187 /nfs/dbraw/zinc/07/51/87/435075187.db2.gz MVEKSGVDPDGUFR-ROUUACIJSA-N 2 1 304.478 3.487 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000638521859 435045396 /nfs/dbraw/zinc/04/53/96/435045396.db2.gz RLPZDXWWEGSEJT-BPQIPLTHSA-N 2 1 304.503 3.035 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638798162 435090245 /nfs/dbraw/zinc/09/02/45/435090245.db2.gz BYLKHQQTXJAOBQ-LFGUQSLTSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638798162 435090246 /nfs/dbraw/zinc/09/02/46/435090246.db2.gz BYLKHQQTXJAOBQ-LFGUQSLTSA-N 2 1 314.473 3.248 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000558623114 435102199 /nfs/dbraw/zinc/10/21/99/435102199.db2.gz RNOBTTUMGCDAIT-OALUTQOASA-N 2 1 314.473 3.057 20 0 DGADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638863643 435107632 /nfs/dbraw/zinc/10/76/32/435107632.db2.gz BHYPFRVKRRCHJH-KURKYZTESA-N 2 1 306.494 3.047 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915499 435116576 /nfs/dbraw/zinc/11/65/76/435116576.db2.gz NIHGYVKCJLIHMS-WDSOQIARSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915500 435117254 /nfs/dbraw/zinc/11/72/54/435117254.db2.gz NIHGYVKCJLIHMS-YTQUADARSA-N 2 1 302.462 3.056 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)[C@@H]1C ZINC000474485304 435149851 /nfs/dbraw/zinc/14/98/51/435149851.db2.gz PSPMKLLDBJCROE-UBDQQSCGSA-N 2 1 324.509 3.064 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000578923811 435119503 /nfs/dbraw/zinc/11/95/03/435119503.db2.gz XNCUMWRDEWVEEX-JENIJYKNSA-N 2 1 309.542 3.348 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000467401397 435119667 /nfs/dbraw/zinc/11/96/67/435119667.db2.gz ZFOBZRVZQNYASM-WFASDCNBSA-N 2 1 300.368 3.444 20 0 DGADMP C[C@H](C[N@@H+](C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000578939783 435120327 /nfs/dbraw/zinc/12/03/27/435120327.db2.gz OUYWYWKTYNHRAK-CYBMUJFWSA-N 2 1 313.283 3.436 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000578964508 435121219 /nfs/dbraw/zinc/12/12/19/435121219.db2.gz WBBBKVLRZHOGJI-MRXNPFEDSA-N 2 1 317.477 3.176 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559148260 435122621 /nfs/dbraw/zinc/12/26/21/435122621.db2.gz SKWVJXHDIZLQJF-YQXATGRUSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559148258 435123518 /nfs/dbraw/zinc/12/35/18/435123518.db2.gz SKWVJXHDIZLQJF-VYMYIBDJSA-N 2 1 316.489 3.443 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)CC1 ZINC000579041626 435127152 /nfs/dbraw/zinc/12/71/52/435127152.db2.gz RALYTJRJYIMOTO-MRXNPFEDSA-N 2 1 315.436 3.471 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638980453 435127376 /nfs/dbraw/zinc/12/73/76/435127376.db2.gz DJHUKXOTENICAU-RIVXBTQJSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638980453 435127378 /nfs/dbraw/zinc/12/73/78/435127378.db2.gz DJHUKXOTENICAU-RIVXBTQJSA-N 2 1 302.462 3.104 20 0 DGADMP CC[N@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000469293674 435130237 /nfs/dbraw/zinc/13/02/37/435130237.db2.gz IKTSVCKUCMPZFI-RBUKOAKNSA-N 2 1 321.553 3.495 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000579108225 435131708 /nfs/dbraw/zinc/13/17/08/435131708.db2.gz IEKYCDKYTZFDIT-GVDBMIGSSA-N 2 1 309.885 3.192 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000579108226 435131901 /nfs/dbraw/zinc/13/19/01/435131901.db2.gz IEKYCDKYTZFDIT-IXDOHACOSA-N 2 1 309.885 3.192 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000579110750 435132467 /nfs/dbraw/zinc/13/24/67/435132467.db2.gz IEFWCBYUBXCSDP-QGZVFWFLSA-N 2 1 317.477 3.259 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccns1 ZINC000639042765 435133903 /nfs/dbraw/zinc/13/39/03/435133903.db2.gz JLZMTDUZLVTBRI-UHFFFAOYSA-N 2 1 316.474 3.277 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CO)C[C@H]1c1ccccc1 ZINC000559740597 435136573 /nfs/dbraw/zinc/13/65/73/435136573.db2.gz LZDSXVMDLWVCLL-UXHICEINSA-N 2 1 310.441 3.104 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CO)C[C@H]1c1ccccc1 ZINC000559740597 435136576 /nfs/dbraw/zinc/13/65/76/435136576.db2.gz LZDSXVMDLWVCLL-UXHICEINSA-N 2 1 310.441 3.104 20 0 DGADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000559919612 435142265 /nfs/dbraw/zinc/14/22/65/435142265.db2.gz OHHCSFRNBCVUFQ-NNIGNNQHSA-N 2 1 302.437 3.377 20 0 DGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187899 435145308 /nfs/dbraw/zinc/14/53/08/435145308.db2.gz FEXPWPWOAQHVNL-IXDOHACOSA-N 2 1 321.534 3.205 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178726 435188373 /nfs/dbraw/zinc/18/83/73/435188373.db2.gz NYGPIPDGHAQDKX-QMTHXVAHSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178726 435188375 /nfs/dbraw/zinc/18/83/75/435188375.db2.gz NYGPIPDGHAQDKX-QMTHXVAHSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178726 435188380 /nfs/dbraw/zinc/18/83/80/435188380.db2.gz NYGPIPDGHAQDKX-QMTHXVAHSA-N 2 1 316.276 3.348 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000639178726 435188382 /nfs/dbraw/zinc/18/83/82/435188382.db2.gz NYGPIPDGHAQDKX-QMTHXVAHSA-N 2 1 316.276 3.348 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H](C)O ZINC000639230660 435207656 /nfs/dbraw/zinc/20/76/56/435207656.db2.gz CNUQRYYXUVQTBZ-JZGRTCEGSA-N 2 1 302.462 3.104 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H](C)O ZINC000639230660 435207658 /nfs/dbraw/zinc/20/76/58/435207658.db2.gz CNUQRYYXUVQTBZ-JZGRTCEGSA-N 2 1 302.462 3.104 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000579944616 435193650 /nfs/dbraw/zinc/19/36/50/435193650.db2.gz HBMUIBFPVRHVEU-YJBOKZPZSA-N 2 1 317.477 3.209 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493946287 435193948 /nfs/dbraw/zinc/19/39/48/435193948.db2.gz ZGXINTPKUZHSIB-WMZOPIPTSA-N 2 1 302.462 3.234 20 0 DGADMP c1cc2cccc(C[N@H+]3CCC[C@@H](N4CCOCC4)CC3)c2o1 ZINC000579979026 435197015 /nfs/dbraw/zinc/19/70/15/435197015.db2.gz NNVDHIRHZTWJHI-GOSISDBHSA-N 2 1 314.429 3.120 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000639209191 435199002 /nfs/dbraw/zinc/19/90/02/435199002.db2.gz OTMJXVOUOMAZRF-NEWSRXKRSA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000639209191 435199003 /nfs/dbraw/zinc/19/90/03/435199003.db2.gz OTMJXVOUOMAZRF-NEWSRXKRSA-N 2 1 316.489 3.494 20 0 DGADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000579435611 435154052 /nfs/dbraw/zinc/15/40/52/435154052.db2.gz SVQIGIWFGOTATC-HXUWFJFHSA-N 2 1 318.505 3.296 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000639105916 435155265 /nfs/dbraw/zinc/15/52/65/435155265.db2.gz JCHJVZWSHKSZEP-OLZOCXBDSA-N 2 1 321.827 3.459 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@H]([NH+](C)C)CC1)CC2 ZINC000639105111 435156843 /nfs/dbraw/zinc/15/68/43/435156843.db2.gz RQJCKFNPSVOMSR-DOTOQJQBSA-N 2 1 318.461 3.107 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@H]([NH+](C)C)CC1)CC2 ZINC000639105111 435156846 /nfs/dbraw/zinc/15/68/46/435156846.db2.gz RQJCKFNPSVOMSR-DOTOQJQBSA-N 2 1 318.461 3.107 20 0 DGADMP CC(C)[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000474725927 435158896 /nfs/dbraw/zinc/15/88/96/435158896.db2.gz ZMAKQCZIUVDLKN-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000639118769 435161283 /nfs/dbraw/zinc/16/12/83/435161283.db2.gz REWLZLKWYYRNIM-WDSOQIARSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000532376586 435161792 /nfs/dbraw/zinc/16/17/92/435161792.db2.gz RHDRIRWDGMOWSL-OKILXGFUSA-N 2 1 310.507 3.344 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H](C)O ZINC000639230659 435207134 /nfs/dbraw/zinc/20/71/34/435207134.db2.gz CNUQRYYXUVQTBZ-FXECBMLZSA-N 2 1 302.462 3.104 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H](C)O ZINC000639230659 435207138 /nfs/dbraw/zinc/20/71/38/435207138.db2.gz CNUQRYYXUVQTBZ-FXECBMLZSA-N 2 1 302.462 3.104 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000532524384 435174391 /nfs/dbraw/zinc/17/43/91/435174391.db2.gz CJZURLFTXORJIS-ZMSDIMECSA-N 2 1 317.477 3.093 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000532524384 435174395 /nfs/dbraw/zinc/17/43/95/435174395.db2.gz CJZURLFTXORJIS-ZMSDIMECSA-N 2 1 317.477 3.093 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000560547811 435177181 /nfs/dbraw/zinc/17/71/81/435177181.db2.gz CNJKQJRHCYVCPR-NSHGMRRFSA-N 2 1 315.505 3.494 20 0 DGADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161964 435178737 /nfs/dbraw/zinc/17/87/37/435178737.db2.gz JYAKDZYXXNZMSP-DAABDDCCSA-N 2 1 313.489 3.070 20 0 DGADMP C[NH+](C[C@@H]1CCN(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161964 435178740 /nfs/dbraw/zinc/17/87/40/435178740.db2.gz JYAKDZYXXNZMSP-DAABDDCCSA-N 2 1 313.489 3.070 20 0 DGADMP C[NH+](C[C@@H]1CCN(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161964 435178743 /nfs/dbraw/zinc/17/87/43/435178743.db2.gz JYAKDZYXXNZMSP-DAABDDCCSA-N 2 1 313.489 3.070 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000560582361 435182028 /nfs/dbraw/zinc/18/20/28/435182028.db2.gz QUIHPGLOXPRUMJ-SJORKVTESA-N 2 1 302.462 3.017 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000560582361 435182033 /nfs/dbraw/zinc/18/20/33/435182033.db2.gz QUIHPGLOXPRUMJ-SJORKVTESA-N 2 1 302.462 3.017 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639257755 435215983 /nfs/dbraw/zinc/21/59/83/435215983.db2.gz RDVFCPRPMKKFIX-LLVKDONJSA-N 2 1 316.276 3.397 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639250051 435212235 /nfs/dbraw/zinc/21/22/35/435212235.db2.gz OSEUWIOTGFCJKD-BWPNAZKDSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639250051 435212239 /nfs/dbraw/zinc/21/22/39/435212239.db2.gz OSEUWIOTGFCJKD-BWPNAZKDSA-N 2 1 314.473 3.105 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)C2 ZINC000580427176 435231842 /nfs/dbraw/zinc/23/18/42/435231842.db2.gz HAJMZVZRZCILKT-MBOZVWFJSA-N 2 1 316.489 3.319 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256739 /nfs/dbraw/zinc/25/67/39/435256739.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256741 /nfs/dbraw/zinc/25/67/41/435256741.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256745 /nfs/dbraw/zinc/25/67/45/435256745.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256749 /nfs/dbraw/zinc/25/67/49/435256749.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256753 /nfs/dbraw/zinc/25/67/53/435256753.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257494 /nfs/dbraw/zinc/25/74/94/435257494.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257499 /nfs/dbraw/zinc/25/74/99/435257499.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257502 /nfs/dbraw/zinc/25/75/02/435257502.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257506 /nfs/dbraw/zinc/25/75/06/435257506.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257510 /nfs/dbraw/zinc/25/75/10/435257510.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 1 315.505 3.143 20 0 DGADMP O=c1[nH]cccc1CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354852 435259689 /nfs/dbraw/zinc/25/96/89/435259689.db2.gz QSAGCCAVXLKJFN-HKUYNNGSSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354852 435259690 /nfs/dbraw/zinc/25/96/90/435259690.db2.gz QSAGCCAVXLKJFN-HKUYNNGSSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354852 435259697 /nfs/dbraw/zinc/25/96/97/435259697.db2.gz QSAGCCAVXLKJFN-HKUYNNGSSA-N 2 1 323.440 3.245 20 0 DGADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639354852 435259702 /nfs/dbraw/zinc/25/97/02/435259702.db2.gz QSAGCCAVXLKJFN-HKUYNNGSSA-N 2 1 323.440 3.245 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000643058232 435264870 /nfs/dbraw/zinc/26/48/70/435264870.db2.gz ZGLPZIKIXICULC-VQIMIIECSA-N 2 1 314.404 3.324 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000643058232 435264874 /nfs/dbraw/zinc/26/48/74/435264874.db2.gz ZGLPZIKIXICULC-VQIMIIECSA-N 2 1 314.404 3.324 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000584176116 435282377 /nfs/dbraw/zinc/28/23/77/435282377.db2.gz WOUJJFBDHSPRHT-XIRDDKMYSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000584176116 435282381 /nfs/dbraw/zinc/28/23/81/435282381.db2.gz WOUJJFBDHSPRHT-XIRDDKMYSA-N 2 1 311.429 3.209 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000643253096 435285477 /nfs/dbraw/zinc/28/54/77/435285477.db2.gz KBSBVGZBFFEQNF-FQEVSTJZSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000643253096 435285481 /nfs/dbraw/zinc/28/54/81/435285481.db2.gz KBSBVGZBFFEQNF-FQEVSTJZSA-N 2 1 314.473 3.141 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000648427449 435297197 /nfs/dbraw/zinc/29/71/97/435297197.db2.gz IASFZICWRKFOOI-KGLIPLIRSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1cnc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000648427449 435297202 /nfs/dbraw/zinc/29/72/02/435297202.db2.gz IASFZICWRKFOOI-KGLIPLIRSA-N 2 1 305.809 3.198 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(CC(=O)c2ccccc2F)CC1 ZINC000639454740 435302082 /nfs/dbraw/zinc/30/20/82/435302082.db2.gz GYXRNOJRDLCMFS-UHFFFAOYSA-N 2 1 320.452 3.452 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000643058231 435264128 /nfs/dbraw/zinc/26/41/28/435264128.db2.gz ZGLPZIKIXICULC-QFBILLFUSA-N 2 1 314.404 3.324 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000643058231 435264132 /nfs/dbraw/zinc/26/41/32/435264132.db2.gz ZGLPZIKIXICULC-QFBILLFUSA-N 2 1 314.404 3.324 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)COCC2 ZINC000639495911 435319573 /nfs/dbraw/zinc/31/95/73/435319573.db2.gz JHCZRSDEBPBULQ-IBGZPJMESA-N 2 1 314.473 3.210 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000511425943 435320695 /nfs/dbraw/zinc/32/06/95/435320695.db2.gz AYUYVBXJTLOMNR-CRAIPNDOSA-N 2 1 302.462 3.177 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000511425943 435320697 /nfs/dbraw/zinc/32/06/97/435320697.db2.gz AYUYVBXJTLOMNR-CRAIPNDOSA-N 2 1 302.462 3.177 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2c1CCOC2 ZINC000639500852 435321726 /nfs/dbraw/zinc/32/17/26/435321726.db2.gz QLHALKTZXSDHIL-SFHVURJKSA-N 2 1 302.462 3.066 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1CCOC2 ZINC000639500852 435321730 /nfs/dbraw/zinc/32/17/30/435321730.db2.gz QLHALKTZXSDHIL-SFHVURJKSA-N 2 1 302.462 3.066 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1CCOC2 ZINC000639500852 435321731 /nfs/dbraw/zinc/32/17/31/435321731.db2.gz QLHALKTZXSDHIL-SFHVURJKSA-N 2 1 302.462 3.066 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457527 435329836 /nfs/dbraw/zinc/32/98/36/435329836.db2.gz IOWQDXREONGORS-ZCNNSNEGSA-N 2 1 315.505 3.148 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000643463363 435330495 /nfs/dbraw/zinc/33/04/95/435330495.db2.gz MRDNNFSJVZOZHV-ROUUACIJSA-N 2 1 316.493 3.212 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457590 435330542 /nfs/dbraw/zinc/33/05/42/435330542.db2.gz PANDZEBCMBRJMO-WMZOPIPTSA-N 2 1 324.472 3.057 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643464312 435330819 /nfs/dbraw/zinc/33/08/19/435330819.db2.gz AVHMRMPCVDXMJU-WDSOQIARSA-N 3 1 307.526 3.009 20 0 DGADMP CCC1(O)CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643474160 435332293 /nfs/dbraw/zinc/33/22/93/435332293.db2.gz KRAZIGHWMDUBFV-QGLXBCBXSA-N 2 1 302.462 3.153 20 0 DGADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000643467497 435332386 /nfs/dbraw/zinc/33/23/86/435332386.db2.gz MWUSWUZDMRKQTN-BZNIZROVSA-N 2 1 305.809 3.186 20 0 DGADMP Brc1ccccc1C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000643508242 435338106 /nfs/dbraw/zinc/33/81/06/435338106.db2.gz WBOULAOWCPZODZ-MRXNPFEDSA-N 2 1 323.278 3.112 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000643502695 435339810 /nfs/dbraw/zinc/33/98/10/435339810.db2.gz OEOARMKDOWWMQC-GPJFCIFZSA-N 2 1 315.505 3.161 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502695 435339815 /nfs/dbraw/zinc/33/98/15/435339815.db2.gz OEOARMKDOWWMQC-GPJFCIFZSA-N 3 1 315.505 3.161 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502695 435339819 /nfs/dbraw/zinc/33/98/19/435339819.db2.gz OEOARMKDOWWMQC-GPJFCIFZSA-N 3 1 315.505 3.161 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000643521408 435340253 /nfs/dbraw/zinc/34/02/53/435340253.db2.gz FJTXASLGNLWYHA-NEPJUHHUSA-N 2 1 312.841 3.150 20 0 DGADMP Cc1cc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccnc2)ccc1F ZINC000643522457 435341752 /nfs/dbraw/zinc/34/17/52/435341752.db2.gz NIHYTEGVQLYKLI-MJGOQNOKSA-N 2 1 313.420 3.350 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]CC2CCC(C(C)C)CC2)CC1 ZINC000512090456 435342806 /nfs/dbraw/zinc/34/28/06/435342806.db2.gz WDGDCZXHXMNISH-UHFFFAOYSA-N 2 1 323.569 3.456 20 0 DGADMP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000535724341 435344091 /nfs/dbraw/zinc/34/40/91/435344091.db2.gz JDOPNQGCPFHAAW-GEEKYZPCSA-N 2 1 316.580 3.418 20 0 DGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](C)[NH3+])CCC3)cc1 ZINC000643526858 435344077 /nfs/dbraw/zinc/34/40/77/435344077.db2.gz ATVNWFNPOUXOGN-TZMCWYRMSA-N 2 1 301.459 3.433 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546769 435349033 /nfs/dbraw/zinc/34/90/33/435349033.db2.gz UPDKWBCCBZTUSO-DOTOQJQBSA-N 2 1 300.446 3.473 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648585407 435353024 /nfs/dbraw/zinc/35/30/24/435353024.db2.gz XUGCSOXGSZZCQL-LBPRGKRZSA-N 2 1 307.825 3.301 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648585407 435353029 /nfs/dbraw/zinc/35/30/29/435353029.db2.gz XUGCSOXGSZZCQL-LBPRGKRZSA-N 2 1 307.825 3.301 20 0 DGADMP COCC[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512330578 435353932 /nfs/dbraw/zinc/35/39/32/435353932.db2.gz KGIGVYZZIOLZMZ-LNLFQRSKSA-N 2 1 304.478 3.302 20 0 DGADMP C[NH+]1CCC([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000512540676 435361374 /nfs/dbraw/zinc/36/13/74/435361374.db2.gz AKWKHAQLZABUFO-SFHVURJKSA-N 2 1 322.880 3.492 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000648731407 435401650 /nfs/dbraw/zinc/40/16/50/435401650.db2.gz VGIHHGPPAQXJMQ-CQSZACIVSA-N 2 1 314.433 3.097 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2=Cc3ccccc3OC2)C1 ZINC000536697137 435406474 /nfs/dbraw/zinc/40/64/74/435406474.db2.gz FBJSMAMUCGBMTJ-KRWDZBQOSA-N 2 1 312.457 3.126 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000536697137 435406478 /nfs/dbraw/zinc/40/64/78/435406478.db2.gz FBJSMAMUCGBMTJ-KRWDZBQOSA-N 2 1 312.457 3.126 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000536697137 435406486 /nfs/dbraw/zinc/40/64/86/435406486.db2.gz FBJSMAMUCGBMTJ-KRWDZBQOSA-N 2 1 312.457 3.126 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000536697137 435406492 /nfs/dbraw/zinc/40/64/92/435406492.db2.gz FBJSMAMUCGBMTJ-KRWDZBQOSA-N 2 1 312.457 3.126 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000536697137 435406497 /nfs/dbraw/zinc/40/64/97/435406497.db2.gz FBJSMAMUCGBMTJ-KRWDZBQOSA-N 2 1 312.457 3.126 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757677 435409159 /nfs/dbraw/zinc/40/91/59/435409159.db2.gz NUEWOAMRSAUDSO-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP CCC(CC)n1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639757366 435409441 /nfs/dbraw/zinc/40/94/41/435409441.db2.gz JUSZULOHWMRLLG-UHFFFAOYSA-N 2 1 304.482 3.162 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCCOCCc3ccccc3)C2)CC1 ZINC000639758990 435410190 /nfs/dbraw/zinc/41/01/90/435410190.db2.gz ZGOZEVDSUNNWAB-UHFFFAOYSA-N 2 1 316.489 3.054 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCCOc3ccc(F)cc3)C2)CC1 ZINC000639760395 435410546 /nfs/dbraw/zinc/41/05/46/435410546.db2.gz WTKBSAUVKKSJKG-UHFFFAOYSA-N 2 1 306.425 3.012 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000648762188 435411501 /nfs/dbraw/zinc/41/15/01/435411501.db2.gz UUTXNIQQAOZYFI-VQTJNVASSA-N 2 1 314.473 3.247 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000514078229 435413503 /nfs/dbraw/zinc/41/35/03/435413503.db2.gz HXNMHJDNDDOGPR-UHFFFAOYSA-N 2 1 307.457 3.434 20 0 DGADMP Cc1nccn1CCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793146 435419223 /nfs/dbraw/zinc/41/92/23/435419223.db2.gz TYUKKMSGAWDJQM-KRWDZBQOSA-N 2 1 321.428 3.014 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793146 435419229 /nfs/dbraw/zinc/41/92/29/435419229.db2.gz TYUKKMSGAWDJQM-KRWDZBQOSA-N 2 1 321.428 3.014 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793146 435419233 /nfs/dbraw/zinc/41/92/33/435419233.db2.gz TYUKKMSGAWDJQM-KRWDZBQOSA-N 2 1 321.428 3.014 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000567889972 435366201 /nfs/dbraw/zinc/36/62/01/435366201.db2.gz QHZBUXFXRIHXLT-CQSZACIVSA-N 2 1 315.230 3.165 20 0 DGADMP CC(C)n1cncc1CN[C@H](Cc1nccn1C)c1ccccc1 ZINC000643766489 435368354 /nfs/dbraw/zinc/36/83/54/435368354.db2.gz GIEVLOFELHQAIO-GOSISDBHSA-N 2 1 323.444 3.271 20 0 DGADMP C[C@H]1COCC[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000512895066 435373059 /nfs/dbraw/zinc/37/30/59/435373059.db2.gz NMYUJAYRQFNJLZ-PKOBYXMFSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCO[C@H]3C)C2)s1 ZINC000639632469 435374586 /nfs/dbraw/zinc/37/45/86/435374586.db2.gz BDAODZXRFIJIKH-BBWFWOEESA-N 2 1 322.518 3.235 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C)n1 ZINC000639650236 435379080 /nfs/dbraw/zinc/37/90/80/435379080.db2.gz TXBGITXOEIINNH-HNNXBMFYSA-N 2 1 304.825 3.304 20 0 DGADMP Cc1cc(C)c(CN2CC[C@H](n3cc(Cl)cn3)C2)c(C)n1 ZINC000639650236 435379085 /nfs/dbraw/zinc/37/90/85/435379085.db2.gz TXBGITXOEIINNH-HNNXBMFYSA-N 2 1 304.825 3.304 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513207912 435381923 /nfs/dbraw/zinc/38/19/23/435381923.db2.gz IOAQKLMCOGXYSJ-QGZVKYPTSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513207912 435381929 /nfs/dbraw/zinc/38/19/29/435381929.db2.gz IOAQKLMCOGXYSJ-QGZVKYPTSA-N 2 1 318.505 3.426 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513239068 435382208 /nfs/dbraw/zinc/38/22/08/435382208.db2.gz UBNJFOOVCBNFOG-PWIZWCRZSA-N 2 1 318.505 3.426 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513239068 435382214 /nfs/dbraw/zinc/38/22/14/435382214.db2.gz UBNJFOOVCBNFOG-PWIZWCRZSA-N 2 1 318.505 3.426 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000513204508 435382439 /nfs/dbraw/zinc/38/24/39/435382439.db2.gz SFGFJXPTTHWSIE-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513204508 435382441 /nfs/dbraw/zinc/38/24/41/435382441.db2.gz SFGFJXPTTHWSIE-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513204508 435382444 /nfs/dbraw/zinc/38/24/44/435382444.db2.gz SFGFJXPTTHWSIE-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984407 435480468 /nfs/dbraw/zinc/48/04/68/435480468.db2.gz UUYUUGFVDFLUJE-IEBWSBKVSA-N 2 1 316.489 3.101 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000514919461 435449776 /nfs/dbraw/zinc/44/97/76/435449776.db2.gz KZBNKFSAYZRMEE-GOSISDBHSA-N 2 1 321.468 3.182 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000514919461 435449783 /nfs/dbraw/zinc/44/97/83/435449783.db2.gz KZBNKFSAYZRMEE-GOSISDBHSA-N 2 1 321.468 3.182 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCCC[C@H]1C ZINC000482163636 435454013 /nfs/dbraw/zinc/45/40/13/435454013.db2.gz LQGANLPHJNPQIW-SJORKVTESA-N 2 1 316.489 3.407 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCCC[C@H]1C ZINC000482163636 435454020 /nfs/dbraw/zinc/45/40/20/435454020.db2.gz LQGANLPHJNPQIW-SJORKVTESA-N 2 1 316.489 3.407 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000568631915 435455858 /nfs/dbraw/zinc/45/58/58/435455858.db2.gz DKMUYGWHEWZLBK-BDAKNGLRSA-N 2 1 305.647 3.318 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000482170092 435456624 /nfs/dbraw/zinc/45/66/24/435456624.db2.gz MIZSYHURCOGCCA-IRXDYDNUSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[N@H+]1CCC[C@H](C)C1 ZINC000482170092 435456630 /nfs/dbraw/zinc/45/66/30/435456630.db2.gz MIZSYHURCOGCCA-IRXDYDNUSA-N 2 1 316.489 3.264 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000537650273 435459974 /nfs/dbraw/zinc/45/99/74/435459974.db2.gz SCAXPNUYNHZCEO-UHFFFAOYSA-N 2 1 300.450 3.117 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000644569953 435460119 /nfs/dbraw/zinc/46/01/19/435460119.db2.gz UQTKRCVZTZQEEX-MRXNPFEDSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000644638176 435474470 /nfs/dbraw/zinc/47/44/70/435474470.db2.gz ZZEQSZQLIJRZMY-ACRUOGEOSA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000644638176 435474476 /nfs/dbraw/zinc/47/44/76/435474476.db2.gz ZZEQSZQLIJRZMY-ACRUOGEOSA-N 2 1 324.468 3.015 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000537966900 435475649 /nfs/dbraw/zinc/47/56/49/435475649.db2.gz JTUGEYJGTJNRPO-RHSMWYFYSA-N 2 1 310.869 3.429 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000568898661 435481366 /nfs/dbraw/zinc/48/13/66/435481366.db2.gz ONELJSSAOVNDKM-QFBILLFUSA-N 2 1 313.445 3.110 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000648816990 435429326 /nfs/dbraw/zinc/42/93/26/435429326.db2.gz WYRRVVLQVPFFLA-UHFFFAOYSA-N 2 1 308.853 3.313 20 0 DGADMP COCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000514818584 435439087 /nfs/dbraw/zinc/43/90/87/435439087.db2.gz PGDICUCORXMLDS-MRXNPFEDSA-N 2 1 310.507 3.237 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)c2ccccc21 ZINC000569330342 435524729 /nfs/dbraw/zinc/52/47/29/435524729.db2.gz QDQFUVJTADWXTD-SVLHEACOSA-N 2 1 322.452 3.277 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2sccc2C)[C@@H](C)C1 ZINC000538118180 435483741 /nfs/dbraw/zinc/48/37/41/435483741.db2.gz WYXLYSRYHFITMN-DLBZAZTESA-N 2 1 324.534 3.326 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000482888841 435485647 /nfs/dbraw/zinc/48/56/47/435485647.db2.gz LIAPLFVDMLFSOC-RTBURBONSA-N 2 1 318.505 3.355 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000482888836 435486487 /nfs/dbraw/zinc/48/64/87/435486487.db2.gz LIAPLFVDMLFSOC-MOPGFXCFSA-N 2 1 318.505 3.355 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538306211 435491774 /nfs/dbraw/zinc/49/17/74/435491774.db2.gz YVTKZHZOLCDVSR-WMZOPIPTSA-N 2 1 316.489 3.462 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538306197 435493178 /nfs/dbraw/zinc/49/31/78/435493178.db2.gz YVTKZHZOLCDVSR-AEFFLSMTSA-N 2 1 316.489 3.462 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085602 435493352 /nfs/dbraw/zinc/49/33/52/435493352.db2.gz GUAZVRNVDXSDTG-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085602 435493356 /nfs/dbraw/zinc/49/33/56/435493356.db2.gz GUAZVRNVDXSDTG-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085602 435493358 /nfs/dbraw/zinc/49/33/58/435493358.db2.gz GUAZVRNVDXSDTG-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000483085602 435493363 /nfs/dbraw/zinc/49/33/63/435493363.db2.gz GUAZVRNVDXSDTG-DNVCBOLYSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC000644703169 435494560 /nfs/dbraw/zinc/49/45/60/435494560.db2.gz LEIVCKADWABJKM-HXUWFJFHSA-N 2 1 321.424 3.140 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000483195590 435501485 /nfs/dbraw/zinc/50/14/85/435501485.db2.gz BYXYJKLXLHGDCE-ROUUACIJSA-N 2 1 304.478 3.489 20 0 DGADMP CCO[C@@H]1C[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000569600366 435546678 /nfs/dbraw/zinc/54/66/78/435546678.db2.gz ASIPCCHFGZQYMF-CSODTCANSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000569622622 435548537 /nfs/dbraw/zinc/54/85/37/435548537.db2.gz GUSDKWFAGHTGCN-UXPWSPDFSA-N 3 1 315.505 3.278 20 0 DGADMP c1ccc2oc([C@@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000649411602 435580603 /nfs/dbraw/zinc/58/06/03/435580603.db2.gz KABYUBIUQMOVRM-JKSUJKDBSA-N 2 1 313.445 3.397 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649411865 435581162 /nfs/dbraw/zinc/58/11/62/435581162.db2.gz KSFVPKOOQWHINF-QUCCMNQESA-N 3 1 321.553 3.353 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411865 435581166 /nfs/dbraw/zinc/58/11/66/435581166.db2.gz KSFVPKOOQWHINF-QUCCMNQESA-N 3 1 321.553 3.353 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411865 435581169 /nfs/dbraw/zinc/58/11/69/435581169.db2.gz KSFVPKOOQWHINF-QUCCMNQESA-N 3 1 321.553 3.353 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(F)c1 ZINC000517241222 435584092 /nfs/dbraw/zinc/58/40/92/435584092.db2.gz QYLGDIGSIXJJKB-SUMWQHHRSA-N 2 1 303.381 3.114 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000539091877 435538682 /nfs/dbraw/zinc/53/86/82/435538682.db2.gz ZDRXZBAUIWDMLM-IUODEOHRSA-N 2 1 316.367 3.014 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000540627758 435610687 /nfs/dbraw/zinc/61/06/87/435610687.db2.gz IAXHXGCPYIGCEW-MISYRCLQSA-N 2 1 316.489 3.303 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCN2C)CC1)CC(C)C ZINC000649572607 435628306 /nfs/dbraw/zinc/62/83/06/435628306.db2.gz BNDWHSBJCQAQNK-LJQANCHMSA-N 2 1 309.542 3.161 20 0 DGADMP CC[N@H+](CCC1CCN(C[C@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000649572607 435628309 /nfs/dbraw/zinc/62/83/09/435628309.db2.gz BNDWHSBJCQAQNK-LJQANCHMSA-N 2 1 309.542 3.161 20 0 DGADMP CC[N@@H+](CCC1CCN(C[C@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000649572607 435628311 /nfs/dbraw/zinc/62/83/11/435628311.db2.gz BNDWHSBJCQAQNK-LJQANCHMSA-N 2 1 309.542 3.161 20 0 DGADMP CC[NH+](CCC1CCN(C[C@H]2CCC[N@@H+]2C)CC1)CC(C)C ZINC000649572607 435628315 /nfs/dbraw/zinc/62/83/15/435628315.db2.gz BNDWHSBJCQAQNK-LJQANCHMSA-N 2 1 309.542 3.161 20 0 DGADMP CC[NH+](CCC1CCN(C[C@H]2CCC[N@H+]2C)CC1)CC(C)C ZINC000649572607 435628317 /nfs/dbraw/zinc/62/83/17/435628317.db2.gz BNDWHSBJCQAQNK-LJQANCHMSA-N 2 1 309.542 3.161 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000518266149 435630139 /nfs/dbraw/zinc/63/01/39/435630139.db2.gz MWUIAOPIHNHCNC-HNNXBMFYSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000518266149 435630143 /nfs/dbraw/zinc/63/01/43/435630143.db2.gz MWUIAOPIHNHCNC-HNNXBMFYSA-N 2 1 300.450 3.165 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000518266149 435630148 /nfs/dbraw/zinc/63/01/48/435630148.db2.gz MWUIAOPIHNHCNC-HNNXBMFYSA-N 2 1 300.450 3.165 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CC(C)C ZINC000540197843 435593449 /nfs/dbraw/zinc/59/34/49/435593449.db2.gz SGICGWZIUOBHPG-RBUKOAKNSA-N 2 1 310.526 3.370 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517572497 435601095 /nfs/dbraw/zinc/60/10/95/435601095.db2.gz MNLURTFNFCHYKZ-UKRRQHHQSA-N 2 1 305.466 3.355 20 0 DGADMP CCC[N@H+](CCCc1ccc2c(c1)CCO2)CCC[NH+](C)C ZINC000570728965 435646702 /nfs/dbraw/zinc/64/67/02/435646702.db2.gz BEJVHGIRQIOGFN-UHFFFAOYSA-N 2 1 304.478 3.218 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccn21 ZINC000570932080 435664218 /nfs/dbraw/zinc/66/42/18/435664218.db2.gz JDBJDMBJHAFNMB-GJZGRUSLSA-N 2 1 312.461 3.173 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccn21 ZINC000570932080 435664222 /nfs/dbraw/zinc/66/42/22/435664222.db2.gz JDBJDMBJHAFNMB-GJZGRUSLSA-N 2 1 312.461 3.173 20 0 DGADMP C[C@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000571313324 435697346 /nfs/dbraw/zinc/69/73/46/435697346.db2.gz ODPCHLOLMVMBSQ-VOBQZIQPSA-N 2 1 320.440 3.061 20 0 DGADMP C[C@H](c1cccc2ccccc21)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000571313324 435697349 /nfs/dbraw/zinc/69/73/49/435697349.db2.gz ODPCHLOLMVMBSQ-VOBQZIQPSA-N 2 1 320.440 3.061 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655700454 435732283 /nfs/dbraw/zinc/73/22/83/435732283.db2.gz IMTHZEAZDVNRHN-VQIMIIECSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655702193 435737051 /nfs/dbraw/zinc/73/70/51/435737051.db2.gz ZGSGPEOTFIPLFA-APWZRJJASA-N 2 1 302.462 3.023 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655703871 435737079 /nfs/dbraw/zinc/73/70/79/435737079.db2.gz XHHXMMIRUSAXKV-LPHOPBHVSA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655703871 435737086 /nfs/dbraw/zinc/73/70/86/435737086.db2.gz XHHXMMIRUSAXKV-LPHOPBHVSA-N 2 1 324.472 3.348 20 0 DGADMP CC(C)(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655705302 435740223 /nfs/dbraw/zinc/74/02/23/435740223.db2.gz COBJROPXNDFLBS-IBGZPJMESA-N 2 1 316.489 3.197 20 0 DGADMP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000651489775 435744958 /nfs/dbraw/zinc/74/49/58/435744958.db2.gz JVLLLPZKTDRLHC-YTQUADARSA-N 2 1 316.489 3.480 20 0 DGADMP CCc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655723085 435750361 /nfs/dbraw/zinc/75/03/61/435750361.db2.gz GUKMMHXNOOIOQD-HXUWFJFHSA-N 2 1 316.489 3.025 20 0 DGADMP Nc1cccc2c1cc[nH+]c2NCC1CC[NH+](CC2CC2)CC1 ZINC000664645794 435750476 /nfs/dbraw/zinc/75/04/76/435750476.db2.gz BHAVEEXBXPYRBH-UHFFFAOYSA-N 2 1 310.445 3.351 20 0 DGADMP CC(C)CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000655721854 435750829 /nfs/dbraw/zinc/75/08/29/435750829.db2.gz SBCNWQXBPGODNG-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655776352 435790542 /nfs/dbraw/zinc/79/05/42/435790542.db2.gz IETQVALZMXHTRT-MOPGFXCFSA-N 2 1 302.462 3.371 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccncc2N)C1 ZINC000641706567 435792920 /nfs/dbraw/zinc/79/29/20/435792920.db2.gz CMPZMKQIRSMDPD-MRXNPFEDSA-N 2 1 324.472 3.186 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccccc2)n1 ZINC000641704171 435793759 /nfs/dbraw/zinc/79/37/59/435793759.db2.gz OMUJHLORSCFDMT-UHFFFAOYSA-N 2 1 324.472 3.286 20 0 DGADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)C2CCC2)CC1(C)C ZINC000641779862 435821477 /nfs/dbraw/zinc/82/14/77/435821477.db2.gz RVOPSSWXLRCKOS-IBGZPJMESA-N 2 1 315.505 3.143 20 0 DGADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550237949 435798532 /nfs/dbraw/zinc/79/85/32/435798532.db2.gz IKANMYFISFTNAN-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237949 435798539 /nfs/dbraw/zinc/79/85/39/435798539.db2.gz IKANMYFISFTNAN-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237949 435798544 /nfs/dbraw/zinc/79/85/44/435798544.db2.gz IKANMYFISFTNAN-FQEVSTJZSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655792511 435800626 /nfs/dbraw/zinc/80/06/26/435800626.db2.gz JZZZHUBWGKIUFV-YZGWKJHDSA-N 2 1 314.473 3.084 20 0 DGADMP CCOC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000550796977 435811023 /nfs/dbraw/zinc/81/10/23/435811023.db2.gz HVUSYNIEJMOLGT-CEXWTWQISA-N 2 1 304.478 3.473 20 0 DGADMP CCOC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000550796977 435811029 /nfs/dbraw/zinc/81/10/29/435811029.db2.gz HVUSYNIEJMOLGT-CEXWTWQISA-N 2 1 304.478 3.473 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H](c2ccccc2)C2CCC2)CCOCC1 ZINC000641773102 435819672 /nfs/dbraw/zinc/81/96/72/435819672.db2.gz DVOVUMMHVLVTKR-SFHVURJKSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641776433 435819886 /nfs/dbraw/zinc/81/98/86/435819886.db2.gz YWQIYPFZYXQFSC-FQEVSTJZSA-N 2 1 315.505 3.145 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000660475401 435767052 /nfs/dbraw/zinc/76/70/52/435767052.db2.gz RLWJHUDPHDBLRM-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP FC(F)c1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000660479844 435771251 /nfs/dbraw/zinc/77/12/51/435771251.db2.gz QFNSCDUMCPNMDF-KRWDZBQOSA-N 2 1 324.415 3.311 20 0 DGADMP FC(F)c1cccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660479844 435771255 /nfs/dbraw/zinc/77/12/55/435771255.db2.gz QFNSCDUMCPNMDF-KRWDZBQOSA-N 2 1 324.415 3.311 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000655754084 435776701 /nfs/dbraw/zinc/77/67/01/435776701.db2.gz JAIKSNCJTJZCGR-KRWDZBQOSA-N 2 1 322.880 3.381 20 0 DGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)sc1Br ZINC000655753954 435776844 /nfs/dbraw/zinc/77/68/44/435776844.db2.gz HTTFHBXHQMAEEX-UHFFFAOYSA-N 2 1 303.269 3.004 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000549823287 435777059 /nfs/dbraw/zinc/77/70/59/435777059.db2.gz PLGVUHRYKNJJHT-SQNIBIBYSA-N 2 1 324.509 3.353 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000549823287 435777064 /nfs/dbraw/zinc/77/70/64/435777064.db2.gz PLGVUHRYKNJJHT-SQNIBIBYSA-N 2 1 324.509 3.353 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OC ZINC000655754526 435777552 /nfs/dbraw/zinc/77/75/52/435777552.db2.gz AJKJYXOJXIYOAW-HNNXBMFYSA-N 2 1 306.450 3.058 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646102932 435780037 /nfs/dbraw/zinc/78/00/37/435780037.db2.gz YAYDKYUYHZAKEB-UHFFFAOYSA-N 2 1 302.462 3.107 20 0 DGADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000549841585 435781442 /nfs/dbraw/zinc/78/14/42/435781442.db2.gz WDMKXGDDSJZIGO-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000549841585 435781448 /nfs/dbraw/zinc/78/14/48/435781448.db2.gz WDMKXGDDSJZIGO-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000549841585 435781454 /nfs/dbraw/zinc/78/14/54/435781454.db2.gz WDMKXGDDSJZIGO-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP CC(C)COc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000572471404 435828115 /nfs/dbraw/zinc/82/81/15/435828115.db2.gz VPQSFHKETFEMQY-LPHOPBHVSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000572471404 435828128 /nfs/dbraw/zinc/82/81/28/435828128.db2.gz VPQSFHKETFEMQY-LPHOPBHVSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000572471404 435828133 /nfs/dbraw/zinc/82/81/33/435828133.db2.gz VPQSFHKETFEMQY-LPHOPBHVSA-N 2 1 304.478 3.493 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616789 435828234 /nfs/dbraw/zinc/82/82/34/435828234.db2.gz QKCVBDLXZUBTNX-INIZCTEOSA-N 2 1 310.894 3.460 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616789 435828237 /nfs/dbraw/zinc/82/82/37/435828237.db2.gz QKCVBDLXZUBTNX-INIZCTEOSA-N 2 1 310.894 3.460 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616789 435828248 /nfs/dbraw/zinc/82/82/48/435828248.db2.gz QKCVBDLXZUBTNX-INIZCTEOSA-N 2 1 310.894 3.460 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000660616789 435828253 /nfs/dbraw/zinc/82/82/53/435828253.db2.gz QKCVBDLXZUBTNX-INIZCTEOSA-N 2 1 310.894 3.460 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000551327528 435832491 /nfs/dbraw/zinc/83/24/91/435832491.db2.gz WJISJPOLPMCCEF-INIZCTEOSA-N 2 1 314.477 3.231 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385969 435833864 /nfs/dbraw/zinc/83/38/64/435833864.db2.gz VFPPLXPJFJJSFH-HKUYNNGSSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1Oc1ccccc1 ZINC000551543400 435839602 /nfs/dbraw/zinc/83/96/02/435839602.db2.gz VZHCCRGTDQVVGK-IPELMVKDSA-N 2 1 314.473 3.306 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1Br)C2 ZINC000660654025 435842155 /nfs/dbraw/zinc/84/21/55/435842155.db2.gz FHNBZBVFQWHVCX-MRXNPFEDSA-N 2 1 323.278 3.367 20 0 DGADMP Cc1ccc(OCCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660654098 435842759 /nfs/dbraw/zinc/84/27/59/435842759.db2.gz CNGPNRDLMZZPCK-HXUWFJFHSA-N 2 1 316.489 3.490 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC000660661378 435846137 /nfs/dbraw/zinc/84/61/37/435846137.db2.gz CZURUTBSIUJNBJ-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC000660661378 435846144 /nfs/dbraw/zinc/84/61/44/435846144.db2.gz CZURUTBSIUJNBJ-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000660661378 435846146 /nfs/dbraw/zinc/84/61/46/435846146.db2.gz CZURUTBSIUJNBJ-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000660661378 435846155 /nfs/dbraw/zinc/84/61/55/435846155.db2.gz CZURUTBSIUJNBJ-HXUWFJFHSA-N 2 1 309.457 3.461 20 0 DGADMP CCCOc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660663684 435848062 /nfs/dbraw/zinc/84/80/62/435848062.db2.gz PBANMALHIYMFGI-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660663684 435848067 /nfs/dbraw/zinc/84/80/67/435848067.db2.gz PBANMALHIYMFGI-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660663684 435848076 /nfs/dbraw/zinc/84/80/76/435848076.db2.gz PBANMALHIYMFGI-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CCCOc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660663684 435848082 /nfs/dbraw/zinc/84/80/82/435848082.db2.gz PBANMALHIYMFGI-LJQANCHMSA-N 2 1 302.462 3.393 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2ccccc2F)CCC1 ZINC000651863962 435848116 /nfs/dbraw/zinc/84/81/16/435848116.db2.gz COQIPJMXYGHKKI-UHFFFAOYSA-N 2 1 313.420 3.498 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866128 435849948 /nfs/dbraw/zinc/84/99/48/435849948.db2.gz VWLGBVIXTWGDED-UHFFFAOYSA-N 2 1 308.514 3.322 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866128 435849950 /nfs/dbraw/zinc/84/99/50/435849950.db2.gz VWLGBVIXTWGDED-UHFFFAOYSA-N 2 1 308.514 3.322 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866638 435850551 /nfs/dbraw/zinc/85/05/51/435850551.db2.gz LOSFYNKTCPYLQT-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866638 435850554 /nfs/dbraw/zinc/85/05/54/435850554.db2.gz LOSFYNKTCPYLQT-UHFFFAOYSA-N 2 1 314.477 3.248 20 0 DGADMP CC[N@@H+](CCC[NH2+]C1CCC(NC(C)=O)CC1)C1CCCCC1 ZINC000651910392 435860214 /nfs/dbraw/zinc/86/02/14/435860214.db2.gz RJGHMZNIFFWYMD-UHFFFAOYSA-N 2 1 323.525 3.068 20 0 DGADMP CC[N@@H+](CCCN[C@H]1CC[NH+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910052 435860269 /nfs/dbraw/zinc/86/02/69/435860269.db2.gz FQVRGIWAVGOKOG-HKUYNNGSSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910052 435860278 /nfs/dbraw/zinc/86/02/78/435860278.db2.gz FQVRGIWAVGOKOG-HKUYNNGSSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@H]1CC[N@@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910052 435860284 /nfs/dbraw/zinc/86/02/84/435860284.db2.gz FQVRGIWAVGOKOG-HKUYNNGSSA-N 2 1 309.542 3.351 20 0 DGADMP CC[N@@H+](CCCN[C@@H]1CC[NH+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910055 435861105 /nfs/dbraw/zinc/86/11/05/435861105.db2.gz FQVRGIWAVGOKOG-PKOBYXMFSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910055 435861113 /nfs/dbraw/zinc/86/11/13/435861113.db2.gz FQVRGIWAVGOKOG-PKOBYXMFSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CCCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910055 435861119 /nfs/dbraw/zinc/86/11/19/435861119.db2.gz FQVRGIWAVGOKOG-PKOBYXMFSA-N 2 1 309.542 3.351 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000655940298 435865863 /nfs/dbraw/zinc/86/58/63/435865863.db2.gz QNMQZRVPBWPTOY-LZLYRXPVSA-N 2 1 322.880 3.367 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@H]1c1ccccc1 ZINC000551175591 435825991 /nfs/dbraw/zinc/82/59/91/435825991.db2.gz NVNHPLHZMMSURH-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@H]1c1ccccc1 ZINC000551175591 435825994 /nfs/dbraw/zinc/82/59/94/435825994.db2.gz NVNHPLHZMMSURH-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP CC(C)C[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000552228969 435890899 /nfs/dbraw/zinc/89/08/99/435890899.db2.gz IWBNZNLANVMDHM-LJQANCHMSA-N 2 1 317.521 3.171 20 0 DGADMP F[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000652078223 435905648 /nfs/dbraw/zinc/90/56/48/435905648.db2.gz CKQGDMCDYRPZFW-QGZVFWFLSA-N 2 1 306.425 3.095 20 0 DGADMP F[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000652078223 435905652 /nfs/dbraw/zinc/90/56/52/435905652.db2.gz CKQGDMCDYRPZFW-QGZVFWFLSA-N 2 1 306.425 3.095 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccn2)cc1 ZINC000652173802 435919662 /nfs/dbraw/zinc/91/96/62/435919662.db2.gz YUPNLDSMVHSSAS-HXUWFJFHSA-N 2 1 323.440 3.031 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccn2)cc1 ZINC000652173802 435919666 /nfs/dbraw/zinc/91/96/66/435919666.db2.gz YUPNLDSMVHSSAS-HXUWFJFHSA-N 2 1 323.440 3.031 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000652222575 435925912 /nfs/dbraw/zinc/92/59/12/435925912.db2.gz RUPLCDHXNIRJEM-INIZCTEOSA-N 2 1 319.493 3.017 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000652222575 435925915 /nfs/dbraw/zinc/92/59/15/435925915.db2.gz RUPLCDHXNIRJEM-INIZCTEOSA-N 2 1 319.493 3.017 20 0 DGADMP COc1ncc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1Cl ZINC000652222420 435926953 /nfs/dbraw/zinc/92/69/53/435926953.db2.gz OFLLVDHABBWSAP-ZDUSSCGKSA-N 2 1 313.873 3.372 20 0 DGADMP COc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1Cl ZINC000652222420 435926957 /nfs/dbraw/zinc/92/69/57/435926957.db2.gz OFLLVDHABBWSAP-ZDUSSCGKSA-N 2 1 313.873 3.372 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000665246637 435928168 /nfs/dbraw/zinc/92/81/68/435928168.db2.gz KAQKQLQVGIWGAU-UHFFFAOYSA-N 3 1 315.505 3.291 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N)CCCC2)CC1 ZINC000665246637 435928172 /nfs/dbraw/zinc/92/81/72/435928172.db2.gz KAQKQLQVGIWGAU-UHFFFAOYSA-N 2 1 315.505 3.291 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N)CCCC2)CC1 ZINC000665246637 435928176 /nfs/dbraw/zinc/92/81/76/435928176.db2.gz KAQKQLQVGIWGAU-UHFFFAOYSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000552086461 435879410 /nfs/dbraw/zinc/87/94/10/435879410.db2.gz HVIOXDZTQSOWJA-MLGOLLRUSA-N 2 1 312.404 3.052 20 0 DGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000652358536 435958820 /nfs/dbraw/zinc/95/88/20/435958820.db2.gz PWWHWQGFFSNXCL-ROUUACIJSA-N 2 1 302.462 3.092 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCc2ccsc2)C1 ZINC000652363335 435959912 /nfs/dbraw/zinc/95/99/12/435959912.db2.gz BKLDZIZJFDFMAW-BRWVUGGUSA-N 2 1 308.491 3.042 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647200254 435972636 /nfs/dbraw/zinc/97/26/36/435972636.db2.gz ULDOVRUAJZQRCQ-DLBZAZTESA-N 2 1 318.509 3.282 20 0 DGADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200254 435972640 /nfs/dbraw/zinc/97/26/40/435972640.db2.gz ULDOVRUAJZQRCQ-DLBZAZTESA-N 2 1 318.509 3.282 20 0 DGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214425 435976851 /nfs/dbraw/zinc/97/68/51/435976851.db2.gz ZDOQCZANQJRMGM-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214425 435976855 /nfs/dbraw/zinc/97/68/55/435976855.db2.gz ZDOQCZANQJRMGM-GOSISDBHSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc2c(c1)O[C@H](CC[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CS2 ZINC000647228029 435981313 /nfs/dbraw/zinc/98/13/13/435981313.db2.gz DOYUEACSGQQECY-ARFHVFGLSA-N 2 1 318.486 3.146 20 0 DGADMP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CS2 ZINC000647228030 435981396 /nfs/dbraw/zinc/98/13/96/435981396.db2.gz DOYUEACSGQQECY-BZUAXINKSA-N 2 1 318.486 3.146 20 0 DGADMP COCc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647248894 435990808 /nfs/dbraw/zinc/99/08/08/435990808.db2.gz MMFBSOVSUBWROU-RTWAWAEBSA-N 2 1 324.468 3.268 20 0 DGADMP Fc1ccc(C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665279673 435937802 /nfs/dbraw/zinc/93/78/02/435937802.db2.gz JFJJDDJBBSHBSW-NQKNOSNGSA-N 2 1 310.416 3.451 20 0 DGADMP Cc1nc2cc(-n3cc(C[N@H+](C)C4CCCCC4)nn3)ccc2[nH]1 ZINC000656438991 435945929 /nfs/dbraw/zinc/94/59/29/435945929.db2.gz HTTOLTHKTUWOIE-UHFFFAOYSA-N 2 1 324.432 3.217 20 0 DGADMP Cc1nc2cc(-n3cc(CN(C)C4CCCCC4)nn3)ccc2[nH]1 ZINC000656438991 435945930 /nfs/dbraw/zinc/94/59/30/435945930.db2.gz HTTOLTHKTUWOIE-UHFFFAOYSA-N 2 1 324.432 3.217 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C3CC(OC(C)C)C3)C2)c1 ZINC000656441409 435949162 /nfs/dbraw/zinc/94/91/62/435949162.db2.gz HPERQTBIAFBWIM-GTPINHCMSA-N 2 1 303.450 3.080 20 0 DGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C3CC(OC(C)C)C3)C2)c1 ZINC000656441409 435949166 /nfs/dbraw/zinc/94/91/66/435949166.db2.gz HPERQTBIAFBWIM-GTPINHCMSA-N 2 1 303.450 3.080 20 0 DGADMP COc1ccc(-c2ccccc2C)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656452019 435950420 /nfs/dbraw/zinc/95/04/20/435950420.db2.gz ZFBLNZPSWUGAKF-OALUTQOASA-N 2 1 322.452 3.322 20 0 DGADMP COc1ccc(-c2ccccc2C)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000656452020 435950733 /nfs/dbraw/zinc/95/07/33/435950733.db2.gz ZFBLNZPSWUGAKF-RTBURBONSA-N 2 1 322.452 3.322 20 0 DGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348109 435954390 /nfs/dbraw/zinc/95/43/90/435954390.db2.gz UTCNVGHWKIRCPF-AETAKHFUSA-N 2 1 306.425 3.105 20 0 DGADMP c1ccc(O[C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000652337040 435954858 /nfs/dbraw/zinc/95/48/58/435954858.db2.gz CESJVQJILUJTAY-NRFANRHFSA-N 2 1 322.452 3.376 20 0 DGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348111 435955145 /nfs/dbraw/zinc/95/51/45/435955145.db2.gz UTCNVGHWKIRCPF-KCMWZYNZSA-N 2 1 306.425 3.105 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348819 435955760 /nfs/dbraw/zinc/95/57/60/435955760.db2.gz SFUHBWUFZWBMGZ-DSLXNQLJSA-N 2 1 302.462 3.274 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348137 435957309 /nfs/dbraw/zinc/95/73/09/435957309.db2.gz VLFSDYNFVHWAQO-PXMRGAAZSA-N 2 1 324.415 3.244 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000650709187 435997552 /nfs/dbraw/zinc/99/75/52/435997552.db2.gz IOFQFHSHRRZDIS-YJBOKZPZSA-N 2 1 313.470 3.371 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)c(F)c1 ZINC000650717579 436002642 /nfs/dbraw/zinc/00/26/42/436002642.db2.gz GCKBWMOHPMSTSV-UHFFFAOYSA-N 2 1 305.422 3.298 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000650722678 436005154 /nfs/dbraw/zinc/00/51/54/436005154.db2.gz ZDLCVRPWTHPYJL-XBFCOCLRSA-N 2 1 314.882 3.262 20 0 DGADMP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722203 436005205 /nfs/dbraw/zinc/00/52/05/436005205.db2.gz NAQGICABXHCMKF-JQHSSLGASA-N 2 1 320.502 3.269 20 0 DGADMP CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722053 436005731 /nfs/dbraw/zinc/00/57/31/436005731.db2.gz JQONSBVODRSGPT-BMFZPTHFSA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722053 436005736 /nfs/dbraw/zinc/00/57/36/436005736.db2.gz JQONSBVODRSGPT-BMFZPTHFSA-N 2 1 323.506 3.127 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721760 436006189 /nfs/dbraw/zinc/00/61/89/436006189.db2.gz AKKQRXOESIFYKM-OTWHNJEPSA-N 2 1 302.462 3.164 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000650725171 436008232 /nfs/dbraw/zinc/00/82/32/436008232.db2.gz UXNUFUCQPGGIJK-AABGKKOBSA-N 2 1 314.473 3.425 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000650723029 436009306 /nfs/dbraw/zinc/00/93/06/436009306.db2.gz GMCWYGQFIAQBDA-HNJZAVPNSA-N 2 1 318.436 3.200 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC(F)F)[C@@H](C)C1 ZINC000647318323 436012973 /nfs/dbraw/zinc/01/29/73/436012973.db2.gz LZDYPSBUJDJMRO-ILXRZTDVSA-N 2 1 306.441 3.004 20 0 DGADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650752542 436018775 /nfs/dbraw/zinc/01/87/75/436018775.db2.gz SXDSIHLBDLVSGC-LBPRGKRZSA-N 2 1 318.392 3.152 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763864 436023812 /nfs/dbraw/zinc/02/38/12/436023812.db2.gz KWFFEQUGKBRAKF-OAHLLOKOSA-N 3 1 312.461 3.221 20 0 DGADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783275 436041993 /nfs/dbraw/zinc/04/19/93/436041993.db2.gz OLGFUIJXEFVVNL-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782958 436042418 /nfs/dbraw/zinc/04/24/18/436042418.db2.gz KFPNIJAYKOBGII-ZWKOTPCHSA-N 2 1 314.473 3.264 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784393 436042573 /nfs/dbraw/zinc/04/25/73/436042573.db2.gz CZCAZTPKAWLEBE-QTWIXLPOSA-N 2 1 314.473 3.420 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784733 436044575 /nfs/dbraw/zinc/04/45/75/436044575.db2.gz GQJGASSWQQHODP-OAHLLOKOSA-N 2 1 324.415 3.500 20 0 DGADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656785143 436044952 /nfs/dbraw/zinc/04/49/52/436044952.db2.gz JLCFVYBSYGVDNH-OAHLLOKOSA-N 2 1 307.507 3.478 20 0 DGADMP c1cnc2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000656784749 436045672 /nfs/dbraw/zinc/04/56/72/436045672.db2.gz GUNRQFTZXADJOL-IBGZPJMESA-N 2 1 309.457 3.446 20 0 DGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCCC1 ZINC000656788589 436048092 /nfs/dbraw/zinc/04/80/92/436048092.db2.gz USLNXBGWZJCCAR-UHFFFAOYSA-N 2 1 311.429 3.022 20 0 DGADMP CC(C)(C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707585 435996427 /nfs/dbraw/zinc/99/64/27/435996427.db2.gz JAHUFELOKNQWBC-QXAKKESOSA-N 2 1 316.489 3.183 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705487 435996532 /nfs/dbraw/zinc/99/65/32/435996532.db2.gz JKDAQRMLMUOVDP-IPMKNSEASA-N 2 1 302.462 3.022 20 0 DGADMP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480251 436060769 /nfs/dbraw/zinc/06/07/69/436060769.db2.gz HTBVEJCVOZGDTE-FPONKKPDSA-N 2 1 300.446 3.172 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480251 436060772 /nfs/dbraw/zinc/06/07/72/436060772.db2.gz HTBVEJCVOZGDTE-FPONKKPDSA-N 2 1 300.446 3.172 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480955 436061237 /nfs/dbraw/zinc/06/12/37/436061237.db2.gz HHJHNGDZWVFWFI-FUHWJXTLSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480955 436061243 /nfs/dbraw/zinc/06/12/43/436061243.db2.gz HHJHNGDZWVFWFI-FUHWJXTLSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487579 436064176 /nfs/dbraw/zinc/06/41/76/436064176.db2.gz LWGXDVZPSGDYCC-CHWSQXEVSA-N 2 1 311.267 3.223 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000647487579 436064181 /nfs/dbraw/zinc/06/41/81/436064181.db2.gz LWGXDVZPSGDYCC-CHWSQXEVSA-N 2 1 311.267 3.223 20 0 DGADMP CC[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000647497719 436066613 /nfs/dbraw/zinc/06/66/13/436066613.db2.gz SMEWBEZIVNSHBX-HKUYNNGSSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000647497719 436066614 /nfs/dbraw/zinc/06/66/14/436066614.db2.gz SMEWBEZIVNSHBX-HKUYNNGSSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498158 436066646 /nfs/dbraw/zinc/06/66/46/436066646.db2.gz BOZTXTUTVWSIEA-XJKSGUPXSA-N 2 1 301.459 3.369 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498158 436066650 /nfs/dbraw/zinc/06/66/50/436066650.db2.gz BOZTXTUTVWSIEA-XJKSGUPXSA-N 2 1 301.459 3.369 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CC[C@H]1[NH3+] ZINC000647497714 436066857 /nfs/dbraw/zinc/06/68/57/436066857.db2.gz SHPLNTSZFGATLF-YSVLISHTSA-N 2 1 308.441 3.072 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498497 436067122 /nfs/dbraw/zinc/06/71/22/436067122.db2.gz IZQAYQCNAOTFKF-IAGOWNOFSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498497 436067126 /nfs/dbraw/zinc/06/71/26/436067126.db2.gz IZQAYQCNAOTFKF-IAGOWNOFSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498525 436067333 /nfs/dbraw/zinc/06/73/33/436067333.db2.gz JNGAWEYDLKNJMV-HOTGVXAUSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498525 436067338 /nfs/dbraw/zinc/06/73/38/436067338.db2.gz JNGAWEYDLKNJMV-HOTGVXAUSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000647509885 436069695 /nfs/dbraw/zinc/06/96/95/436069695.db2.gz OLFJHJKDRTZZOM-DZKIICNBSA-N 2 1 306.450 3.042 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC ZINC000647535663 436076185 /nfs/dbraw/zinc/07/61/85/436076185.db2.gz SOHQXXBVXOJMOL-CVEARBPZSA-N 2 1 320.477 3.433 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543436 436077745 /nfs/dbraw/zinc/07/77/45/436077745.db2.gz NIBULINFVSVODJ-RTBURBONSA-N 2 1 301.478 3.034 20 0 DGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543694 436078114 /nfs/dbraw/zinc/07/81/14/436078114.db2.gz RDUQHSGRABODNP-FUHWJXTLSA-N 2 1 309.457 3.446 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543636 436078206 /nfs/dbraw/zinc/07/82/06/436078206.db2.gz QQPUJJPLHFROCR-STQMWFEESA-N 2 1 312.379 3.316 20 0 DGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccnc2c1 ZINC000647544053 436078252 /nfs/dbraw/zinc/07/82/52/436078252.db2.gz VWUZPTUCPINTEC-DLBZAZTESA-N 2 1 309.457 3.446 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543969 436079191 /nfs/dbraw/zinc/07/91/91/436079191.db2.gz VBZPOHQUGIVLHF-CABCVRRESA-N 2 1 324.415 3.500 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC000647542909 436079323 /nfs/dbraw/zinc/07/93/23/436079323.db2.gz DQKYUMYTTXURFP-CABCVRRESA-N 2 1 306.425 3.046 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C ZINC000647544162 436079976 /nfs/dbraw/zinc/07/99/76/436079976.db2.gz XPYIOATVLLWHCW-QZTJIDSGSA-N 2 1 302.462 3.215 20 0 DGADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544205 436080802 /nfs/dbraw/zinc/08/08/02/436080802.db2.gz YFDHINSPLYEMSH-OALUTQOASA-N 2 1 302.462 3.045 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549052 436081236 /nfs/dbraw/zinc/08/12/36/436081236.db2.gz GUHRMKDDOJRCOF-YWPYICTPSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548616 436081619 /nfs/dbraw/zinc/08/16/19/436081619.db2.gz KWEWOTBFULZZDE-SQGPQFPESA-N 3 1 315.505 3.149 20 0 DGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000647550810 436083325 /nfs/dbraw/zinc/08/33/25/436083325.db2.gz ISFXOSPDMAICOL-WFASDCNBSA-N 2 1 323.278 3.068 20 0 DGADMP c1ccc2c(c1)cccc2OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814852 436127860 /nfs/dbraw/zinc/12/78/60/436127860.db2.gz IOPQWPMLCHZWNU-UHFFFAOYSA-N 2 1 310.441 3.435 20 0 DGADMP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(C)c1 ZINC000657319359 436134076 /nfs/dbraw/zinc/13/40/76/436134076.db2.gz WIXWZUAYIQTIGE-UHFFFAOYSA-N 2 1 301.434 3.469 20 0 DGADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC000647877063 436138992 /nfs/dbraw/zinc/13/89/92/436138992.db2.gz HDTQZQRNROFAMG-AWEZNQCLSA-N 2 1 311.267 3.269 20 0 DGADMP OCCC[N@@H+](C[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000647884079 436139932 /nfs/dbraw/zinc/13/99/32/436139932.db2.gz FQCGTZDBGIACHL-GOSISDBHSA-N 2 1 324.468 3.070 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCCCC2)cc2c1OCO2 ZINC000647884457 436140802 /nfs/dbraw/zinc/14/08/02/436140802.db2.gz RQSMLDGANYDAIE-INIZCTEOSA-N 2 1 316.445 3.160 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666083489 436141604 /nfs/dbraw/zinc/14/16/04/436141604.db2.gz FIWSKDSQTCTRHE-HNNXBMFYSA-N 2 1 303.837 3.382 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](c2ccsc2)O1 ZINC000647889977 436142330 /nfs/dbraw/zinc/14/23/30/436142330.db2.gz CFPXTFYVPBWNMZ-PBHICJAKSA-N 2 1 308.491 3.290 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647906598 436144585 /nfs/dbraw/zinc/14/45/85/436144585.db2.gz OHRKBFAUECUJOA-GXTWGEPZSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902654 436145509 /nfs/dbraw/zinc/14/55/09/436145509.db2.gz ALYRQUBFSFUITN-ZWKOTPCHSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647905566 436145675 /nfs/dbraw/zinc/14/56/75/436145675.db2.gz KMJMBOPQOFSUTA-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000653279445 436152776 /nfs/dbraw/zinc/15/27/76/436152776.db2.gz CKJUEUPADVZIID-DZKIICNBSA-N 2 1 306.450 3.184 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000653279445 436152781 /nfs/dbraw/zinc/15/27/81/436152781.db2.gz CKJUEUPADVZIID-DZKIICNBSA-N 2 1 306.450 3.184 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657356106 436153398 /nfs/dbraw/zinc/15/33/98/436153398.db2.gz IEJKUBRBRDJXJI-CTWPCTMYSA-N 2 1 308.510 3.172 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000661577392 436112532 /nfs/dbraw/zinc/11/25/32/436112532.db2.gz ABCJQKWSLUOXBD-FQEVSTJZSA-N 2 1 321.553 3.305 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNCc1c(C2CCC2)cnn1C ZINC000657293289 436118682 /nfs/dbraw/zinc/11/86/82/436118682.db2.gz LETSLMWUQBIGKO-HNNXBMFYSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657293289 436118686 /nfs/dbraw/zinc/11/86/86/436118686.db2.gz LETSLMWUQBIGKO-HNNXBMFYSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657293289 436118693 /nfs/dbraw/zinc/11/86/93/436118693.db2.gz LETSLMWUQBIGKO-HNNXBMFYSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)[C@@H]1CCCC[NH2+]1 ZINC000647800407 436123730 /nfs/dbraw/zinc/12/37/30/436123730.db2.gz ASBTZGCYVLOBLN-ZNMIVQPWSA-N 2 1 306.475 3.050 20 0 DGADMP FC(F)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000647797115 436124244 /nfs/dbraw/zinc/12/42/44/436124244.db2.gz ZFZGBDRUAGASNS-TYNCELHUSA-N 2 1 314.807 3.410 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000661705986 436161443 /nfs/dbraw/zinc/16/14/43/436161443.db2.gz HCSQUJXNSPYVBQ-HKUYNNGSSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@@]2(C)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000661705986 436161450 /nfs/dbraw/zinc/16/14/50/436161450.db2.gz HCSQUJXNSPYVBQ-HKUYNNGSSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@@]2(C)CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000661705986 436161457 /nfs/dbraw/zinc/16/14/57/436161457.db2.gz HCSQUJXNSPYVBQ-HKUYNNGSSA-N 2 1 302.462 3.143 20 0 DGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978629 436166637 /nfs/dbraw/zinc/16/66/37/436166637.db2.gz WDLNATQVDKCYMU-JQHSSLGASA-N 2 1 302.462 3.468 20 0 DGADMP c1coc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)no2)c1 ZINC000647976137 436167307 /nfs/dbraw/zinc/16/73/07/436167307.db2.gz KMETYIZUTIVTCM-LSDHHAIUSA-N 2 1 315.417 3.146 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000647973975 436165122 /nfs/dbraw/zinc/16/51/22/436165122.db2.gz MVWKVBKILKETEP-HOCLYGCPSA-N 2 1 312.379 3.322 20 0 DGADMP Cc1cc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000647989141 436169893 /nfs/dbraw/zinc/16/98/93/436169893.db2.gz NUGUIYKTPAQWPX-LJQANCHMSA-N 2 1 320.452 3.287 20 0 DGADMP Cc1cc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000647989141 436169898 /nfs/dbraw/zinc/16/98/98/436169898.db2.gz NUGUIYKTPAQWPX-LJQANCHMSA-N 2 1 320.452 3.287 20 0 DGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978628 436167590 /nfs/dbraw/zinc/16/75/90/436167590.db2.gz WDLNATQVDKCYMU-CGTJXYLNSA-N 2 1 302.462 3.468 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000666227996 436179543 /nfs/dbraw/zinc/17/95/43/436179543.db2.gz VBHZQLFPOHAUFJ-PBHICJAKSA-N 2 1 308.416 3.327 20 0 DGADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000666239449 436181095 /nfs/dbraw/zinc/18/10/95/436181095.db2.gz ZIYIDCSLFIDFJP-GOSISDBHSA-N 2 1 324.472 3.041 20 0 DGADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000666239449 436181104 /nfs/dbraw/zinc/18/11/04/436181104.db2.gz ZIYIDCSLFIDFJP-GOSISDBHSA-N 2 1 324.472 3.041 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000666239450 436181175 /nfs/dbraw/zinc/18/11/75/436181175.db2.gz ZIYIDCSLFIDFJP-SFHVURJKSA-N 2 1 324.472 3.041 20 0 DGADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000666239450 436181179 /nfs/dbraw/zinc/18/11/79/436181179.db2.gz ZIYIDCSLFIDFJP-SFHVURJKSA-N 2 1 324.472 3.041 20 0 DGADMP CCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)cc1 ZINC000653513036 436189850 /nfs/dbraw/zinc/18/98/50/436189850.db2.gz IYRTXTSIJFHFAZ-UHFFFAOYSA-N 2 1 301.434 3.274 20 0 DGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)cc1 ZINC000653513036 436189853 /nfs/dbraw/zinc/18/98/53/436189853.db2.gz IYRTXTSIJFHFAZ-UHFFFAOYSA-N 2 1 301.434 3.274 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653542408 436199338 /nfs/dbraw/zinc/19/93/38/436199338.db2.gz PMZOMJMRXPVXLQ-UHFFFAOYSA-N 2 1 315.461 3.423 20 0 DGADMP Fc1cccc(F)c1CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000653558558 436204933 /nfs/dbraw/zinc/20/49/33/436204933.db2.gz JDPBVRUGMYTTRP-HNNXBMFYSA-N 2 1 308.416 3.315 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000653558558 436204938 /nfs/dbraw/zinc/20/49/38/436204938.db2.gz JDPBVRUGMYTTRP-HNNXBMFYSA-N 2 1 308.416 3.315 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461026 436211978 /nfs/dbraw/zinc/21/19/78/436211978.db2.gz CWLRCBMZVZJMAN-QRVBRYPASA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC000657461026 436211981 /nfs/dbraw/zinc/21/19/81/436211981.db2.gz CWLRCBMZVZJMAN-QRVBRYPASA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2noc3ccccc32)[C@H](C)C1 ZINC000653582115 436214218 /nfs/dbraw/zinc/21/42/18/436214218.db2.gz XSOVHOYAXPGSSB-PBHICJAKSA-N 2 1 301.434 3.032 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657469577 436216780 /nfs/dbraw/zinc/21/67/80/436216780.db2.gz KHGHXISQBSNHCX-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653599626 436219917 /nfs/dbraw/zinc/21/99/17/436219917.db2.gz WZNSRXMFLAZSEO-HNNXBMFYSA-N 2 1 301.434 3.491 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657718484 436288511 /nfs/dbraw/zinc/28/85/11/436288511.db2.gz VLMYOYGGESSYSB-LSTHTHJFSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657718484 436288515 /nfs/dbraw/zinc/28/85/15/436288515.db2.gz VLMYOYGGESSYSB-LSTHTHJFSA-N 2 1 316.489 3.038 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000666852145 436293365 /nfs/dbraw/zinc/29/33/65/436293365.db2.gz LAHJBGPQSRRTCA-NXEZZACHSA-N 2 1 304.768 3.301 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000657750297 436294784 /nfs/dbraw/zinc/29/47/84/436294784.db2.gz GIPWIMMGSWOOKV-OAHLLOKOSA-N 2 1 322.518 3.389 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653904946 436294913 /nfs/dbraw/zinc/29/49/13/436294913.db2.gz QFTYANRYCXIDDA-INIZCTEOSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653904946 436294916 /nfs/dbraw/zinc/29/49/16/436294916.db2.gz QFTYANRYCXIDDA-INIZCTEOSA-N 2 1 305.466 3.395 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856482 436295124 /nfs/dbraw/zinc/29/51/24/436295124.db2.gz LDMRBWGUXUKJOB-MRXNPFEDSA-N 2 1 318.852 3.066 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000666857986 436295380 /nfs/dbraw/zinc/29/53/80/436295380.db2.gz RYTTYERVICAVRB-SNVBAGLBSA-N 2 1 303.269 3.051 20 0 DGADMP C[C@@H](O)C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000653904159 436295666 /nfs/dbraw/zinc/29/56/66/436295666.db2.gz OHNMDCOLUSJXMR-MRXNPFEDSA-N 2 1 302.462 3.018 20 0 DGADMP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657559937 436244204 /nfs/dbraw/zinc/24/42/04/436244204.db2.gz BOPOJKNVJFHQQB-IBGZPJMESA-N 2 1 316.489 3.446 20 0 DGADMP FC(F)(F)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC1CCCC1 ZINC000657588183 436253845 /nfs/dbraw/zinc/25/38/45/436253845.db2.gz PCBGIGAWPRVOLJ-NFAWXSAZSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC1CCCC1 ZINC000657588183 436253850 /nfs/dbraw/zinc/25/38/50/436253850.db2.gz PCBGIGAWPRVOLJ-NFAWXSAZSA-N 2 1 320.399 3.093 20 0 DGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC1CCCC1 ZINC000657588183 436253852 /nfs/dbraw/zinc/25/38/52/436253852.db2.gz PCBGIGAWPRVOLJ-NFAWXSAZSA-N 2 1 320.399 3.093 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596164 436257364 /nfs/dbraw/zinc/25/73/64/436257364.db2.gz LVRDJLDKEJPZBE-ATZDWAIDSA-N 2 1 316.489 3.168 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCN[C@H](Cc1ccccc1)c1ncco1 ZINC000653910160 436297425 /nfs/dbraw/zinc/29/74/25/436297425.db2.gz UTADVCUBYAYCFV-QZTJIDSGSA-N 2 1 313.445 3.422 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)C1 ZINC000657974835 436349224 /nfs/dbraw/zinc/34/92/24/436349224.db2.gz UYJDTEMACUCVBC-JQHSSLGASA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)C1 ZINC000657974835 436349227 /nfs/dbraw/zinc/34/92/27/436349227.db2.gz UYJDTEMACUCVBC-JQHSSLGASA-N 2 1 322.880 3.022 20 0 DGADMP c1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nsc2c1 ZINC000657770954 436300100 /nfs/dbraw/zinc/30/01/00/436300100.db2.gz VNHUCZBLVKGNOQ-KGLIPLIRSA-N 2 1 301.459 3.055 20 0 DGADMP c1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nsc2c1 ZINC000657770956 436301508 /nfs/dbraw/zinc/30/15/08/436301508.db2.gz VNHUCZBLVKGNOQ-ZIAGYGMSSA-N 2 1 301.459 3.055 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](CC)c1ccccc1 ZINC000662251819 436313000 /nfs/dbraw/zinc/31/30/00/436313000.db2.gz JZBLQGDYGZYDNZ-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255916 436313026 /nfs/dbraw/zinc/31/30/26/436313026.db2.gz SMTNWJGTDUQROS-UHOSZYNNSA-N 2 1 314.473 3.289 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662257385 436314106 /nfs/dbraw/zinc/31/41/06/436314106.db2.gz NGOCFMJZQJNZLR-SFHVURJKSA-N 2 1 322.452 3.330 20 0 DGADMP c1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252198 436314388 /nfs/dbraw/zinc/31/43/88/436314388.db2.gz LXQPAMOAAKAHOG-ZWKOTPCHSA-N 2 1 300.446 3.125 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662273767 436321461 /nfs/dbraw/zinc/32/14/61/436321461.db2.gz ZYOCLHLOFBYBPB-GFCCVEGCSA-N 2 1 300.418 3.118 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccncc2s1 ZINC000657835179 436322015 /nfs/dbraw/zinc/32/20/15/436322015.db2.gz OIZLMCUXQMVRHE-STQMWFEESA-N 2 1 301.459 3.431 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662274110 436322580 /nfs/dbraw/zinc/32/25/80/436322580.db2.gz DCNPFUGMNHGFFW-HUUCEWRRSA-N 2 1 308.466 3.239 20 0 DGADMP c1coc(-c2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)no2)c1 ZINC000662291885 436324143 /nfs/dbraw/zinc/32/41/43/436324143.db2.gz YUVPCBIHNJTJST-OAHLLOKOSA-N 2 1 315.417 3.146 20 0 DGADMP c1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662281187 436324260 /nfs/dbraw/zinc/32/42/60/436324260.db2.gz VRPSHVAHVVABOU-HXUWFJFHSA-N 2 1 314.473 3.113 20 0 DGADMP c1ccc(SCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297528 436326221 /nfs/dbraw/zinc/32/62/21/436326221.db2.gz RDUPUVNCUSLKKV-KRWDZBQOSA-N 2 1 304.503 3.490 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000662314739 436328471 /nfs/dbraw/zinc/32/84/71/436328471.db2.gz BNTSHUGYDLMXFC-ZWKOTPCHSA-N 2 1 302.462 3.250 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000662314736 436329424 /nfs/dbraw/zinc/32/94/24/436329424.db2.gz BNTSHUGYDLMXFC-MSOLQXFVSA-N 2 1 302.462 3.250 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCCn3nccc32)C1 ZINC000657870974 436329729 /nfs/dbraw/zinc/32/97/29/436329729.db2.gz HLHBHGRWVZCIAY-NJAFHUGGSA-N 2 1 310.445 3.143 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCc3ccccc32)cc1 ZINC000662321809 436330348 /nfs/dbraw/zinc/33/03/48/436330348.db2.gz JOYBMQCYOJVNMI-RBUKOAKNSA-N 2 1 324.468 3.399 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657869186 436330759 /nfs/dbraw/zinc/33/07/59/436330759.db2.gz ZJFAIQDKEOILQO-RBUKOAKNSA-N 2 1 318.530 3.426 20 0 DGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326481 436331060 /nfs/dbraw/zinc/33/10/60/436331060.db2.gz UKHMRWYRKCJWPU-JXFKEZNVSA-N 2 1 316.489 3.279 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CCO1 ZINC000662326686 436331113 /nfs/dbraw/zinc/33/11/13/436331113.db2.gz YWNARIFSPGRDBF-RTBURBONSA-N 2 1 316.489 3.149 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCc2ccccc2)CCO1 ZINC000662323580 436331401 /nfs/dbraw/zinc/33/14/01/436331401.db2.gz OAMVRPZODXIAFH-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP Cc1ccc2c(c1Br)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662319377 436331608 /nfs/dbraw/zinc/33/16/08/436331608.db2.gz LWRBOKLBSRGQNF-ZDUSSCGKSA-N 2 1 323.278 3.463 20 0 DGADMP Cc1ccc2c(c1Br)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662319377 436331611 /nfs/dbraw/zinc/33/16/11/436331611.db2.gz LWRBOKLBSRGQNF-ZDUSSCGKSA-N 2 1 323.278 3.463 20 0 DGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC/C=C\c2ccccc2)CCO1 ZINC000662326706 436331619 /nfs/dbraw/zinc/33/16/19/436331619.db2.gz ZJQLCKPBPJTRJN-LFIXQJEJSA-N 2 1 302.462 3.133 20 0 DGADMP C[C@H](CCc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323380 436332009 /nfs/dbraw/zinc/33/20/09/436332009.db2.gz QASZDRBPLFFDHY-IEBWSBKVSA-N 2 1 304.478 3.050 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCC34CC4)CCCC2)CC1 ZINC000657880158 436332293 /nfs/dbraw/zinc/33/22/93/436332293.db2.gz MAXNJRZZMSVJFA-QGZVFWFLSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1ccnc(C)c1NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667061144 436333246 /nfs/dbraw/zinc/33/32/46/436333246.db2.gz IKGMBQWXGJNSEB-KRWDZBQOSA-N 2 1 324.428 3.094 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1COC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000657900610 436336597 /nfs/dbraw/zinc/33/65/97/436336597.db2.gz RGQRLUKMWFRGDK-WMZOPIPTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000657920237 436341065 /nfs/dbraw/zinc/34/10/65/436341065.db2.gz ZVMNPTLPPSGRJL-MDMSPXHWSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CC[N@H+]3C(C)(C)C)CC2)C1 ZINC000658058824 436360802 /nfs/dbraw/zinc/36/08/02/436360802.db2.gz UUFVWXPHYOIEOU-NZSAHSFTSA-N 2 1 321.553 3.492 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658058117 436361865 /nfs/dbraw/zinc/36/18/65/436361865.db2.gz CLPGZXDGLZIXGO-SGZDXZSOSA-N 2 1 316.489 3.302 20 0 DGADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000658058117 436361868 /nfs/dbraw/zinc/36/18/68/436361868.db2.gz CLPGZXDGLZIXGO-SGZDXZSOSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091005 436371318 /nfs/dbraw/zinc/37/13/18/436371318.db2.gz KBEYHYLKFISBCR-BBRMVZONSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091005 436371320 /nfs/dbraw/zinc/37/13/20/436371320.db2.gz KBEYHYLKFISBCR-BBRMVZONSA-N 2 1 321.440 3.005 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658134794 436384851 /nfs/dbraw/zinc/38/48/51/436384851.db2.gz BPVXQJILSCJEGX-UXHICEINSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000658141172 436386341 /nfs/dbraw/zinc/38/63/41/436386341.db2.gz WSQSEMOJRFLVBF-QYZOEREBSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)o1 ZINC000658144730 436387332 /nfs/dbraw/zinc/38/73/32/436387332.db2.gz NQGYDUUQPBZTEX-YJBOKZPZSA-N 2 1 314.429 3.005 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658161349 436391786 /nfs/dbraw/zinc/39/17/86/436391786.db2.gz KCQKIFNCIYUHEF-WNHJNPCNSA-N 2 1 302.462 3.054 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000658161349 436391789 /nfs/dbraw/zinc/39/17/89/436391789.db2.gz KCQKIFNCIYUHEF-WNHJNPCNSA-N 2 1 302.462 3.054 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]2CCCO[C@@H]21 ZINC000658228186 436405355 /nfs/dbraw/zinc/40/53/55/436405355.db2.gz HDPCKVHNWZULOR-DDBAPUKQSA-N 2 1 306.494 3.187 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]2CCCO[C@@H]21 ZINC000658228186 436405358 /nfs/dbraw/zinc/40/53/58/436405358.db2.gz HDPCKVHNWZULOR-DDBAPUKQSA-N 2 1 306.494 3.187 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000658231984 436407231 /nfs/dbraw/zinc/40/72/31/436407231.db2.gz XMBTZAJUIHEHLT-WBVHZDCISA-N 2 1 317.477 3.018 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000658231984 436407232 /nfs/dbraw/zinc/40/72/32/436407232.db2.gz XMBTZAJUIHEHLT-WBVHZDCISA-N 2 1 317.477 3.018 20 0 DGADMP CC[N@@H+](CCCN[C@@H]1CCCn2nccc21)C1CCCCC1 ZINC000658043415 436358202 /nfs/dbraw/zinc/35/82/02/436358202.db2.gz OAOVYZKAIFBWTG-QGZVFWFLSA-N 2 1 304.482 3.352 20 0 DGADMP CC[N@H+](CCC[NH2+][C@@H]1CCCn2nccc21)C1CCCCC1 ZINC000658043415 436358205 /nfs/dbraw/zinc/35/82/05/436358205.db2.gz OAOVYZKAIFBWTG-QGZVFWFLSA-N 2 1 304.482 3.352 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCn2nccc21)C1CCCCC1 ZINC000658043415 436358206 /nfs/dbraw/zinc/35/82/06/436358206.db2.gz OAOVYZKAIFBWTG-QGZVFWFLSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055390 436359902 /nfs/dbraw/zinc/35/99/02/436359902.db2.gz IFINOQFFGQTLOA-HIFRSBDPSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055390 436359905 /nfs/dbraw/zinc/35/99/05/436359905.db2.gz IFINOQFFGQTLOA-HIFRSBDPSA-N 2 1 307.457 3.415 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347020 436442284 /nfs/dbraw/zinc/44/22/84/436442284.db2.gz FSBHYAVXGYZOJY-GOSISDBHSA-N 2 1 302.462 3.297 20 0 DGADMP COc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663344698 436442415 /nfs/dbraw/zinc/44/24/15/436442415.db2.gz VRXRKBUSOWLKCE-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663344698 436442419 /nfs/dbraw/zinc/44/24/19/436442419.db2.gz VRXRKBUSOWLKCE-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663343993 436443327 /nfs/dbraw/zinc/44/33/27/436443327.db2.gz LSDFLOYPFMXSCI-HNNXBMFYSA-N 2 1 308.491 3.106 20 0 DGADMP c1ccc2c(c1)ccnc2C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344587 436443483 /nfs/dbraw/zinc/44/34/83/436443483.db2.gz BLANPIKMNDALJV-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP c1ccc2c(c1)ccnc2C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344587 436443487 /nfs/dbraw/zinc/44/34/87/436443487.db2.gz BLANPIKMNDALJV-QGZVFWFLSA-N 2 1 309.457 3.446 20 0 DGADMP CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347817 436444093 /nfs/dbraw/zinc/44/40/93/436444093.db2.gz WTSBFYWOAPUBLS-QGZVFWFLSA-N 2 1 302.462 3.297 20 0 DGADMP CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347817 436444096 /nfs/dbraw/zinc/44/40/96/436444096.db2.gz WTSBFYWOAPUBLS-QGZVFWFLSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@@H]1COCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663361775 436447845 /nfs/dbraw/zinc/44/78/45/436447845.db2.gz FJOVESNOEPCUBX-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000663463750 436463173 /nfs/dbraw/zinc/46/31/73/436463173.db2.gz BGZNTSFGAIAPSY-HOCLYGCPSA-N 2 1 318.461 3.173 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000663463750 436463177 /nfs/dbraw/zinc/46/31/77/436463177.db2.gz BGZNTSFGAIAPSY-HOCLYGCPSA-N 2 1 318.461 3.173 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464608 436463414 /nfs/dbraw/zinc/46/34/14/436463414.db2.gz DXNABPKKPSKLEY-KPFFTGBYSA-N 2 1 316.489 3.474 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663466887 436465049 /nfs/dbraw/zinc/46/50/49/436465049.db2.gz AWXFUTTVODVITM-OKZBNKHCSA-N 2 1 306.494 3.046 20 0 DGADMP CC(C)[C@@H](O)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000658287688 436418871 /nfs/dbraw/zinc/41/88/71/436418871.db2.gz ISDUWNDQVBZWNC-WOJBJXKFSA-N 2 1 316.489 3.209 20 0 DGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659872653 436552276 /nfs/dbraw/zinc/55/22/76/436552276.db2.gz FJQJTEVAAYLLSG-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659876084 436552580 /nfs/dbraw/zinc/55/25/80/436552580.db2.gz ARYWDXYQHXHTHH-ROUUACIJSA-N 2 1 309.542 3.017 20 0 DGADMP CC(C)=CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659912950 436560054 /nfs/dbraw/zinc/56/00/54/436560054.db2.gz QWIJVUWHJGIKFS-UHFFFAOYSA-N 2 1 315.505 3.092 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCc2nsc3ccccc32)CC1 ZINC000659983268 436570825 /nfs/dbraw/zinc/57/08/25/436570825.db2.gz IGPBWFCFBLAGOY-UHFFFAOYSA-N 2 1 303.475 3.255 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCc2nsc3ccccc32)CC1 ZINC000659983268 436570827 /nfs/dbraw/zinc/57/08/27/436570827.db2.gz IGPBWFCFBLAGOY-UHFFFAOYSA-N 2 1 303.475 3.255 20 0 DGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2cc(F)ccc21 ZINC000664196068 436573071 /nfs/dbraw/zinc/57/30/71/436573071.db2.gz QIIWNSAWMICAGD-AWEZNQCLSA-N 2 1 318.440 3.058 20 0 DGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2cc(F)ccc21 ZINC000664196068 436573073 /nfs/dbraw/zinc/57/30/73/436573073.db2.gz QIIWNSAWMICAGD-AWEZNQCLSA-N 2 1 318.440 3.058 20 0 DGADMP CC(C)=CCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659991758 436573715 /nfs/dbraw/zinc/57/37/15/436573715.db2.gz BLSSSLTUMQJKDX-UHFFFAOYSA-N 2 1 321.553 3.471 20 0 DGADMP CC(C)=CCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659991758 436573720 /nfs/dbraw/zinc/57/37/20/436573720.db2.gz BLSSSLTUMQJKDX-UHFFFAOYSA-N 3 1 321.553 3.471 20 0 DGADMP CC(C)=CCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659991758 436573723 /nfs/dbraw/zinc/57/37/23/436573723.db2.gz BLSSSLTUMQJKDX-UHFFFAOYSA-N 3 1 321.553 3.471 20 0 DGADMP C[C@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065575 436584735 /nfs/dbraw/zinc/58/47/35/436584735.db2.gz ZDZOWWJFSPRGAM-WPVAHCMFSA-N 2 1 321.553 3.302 20 0 DGADMP CSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000660118748 436591420 /nfs/dbraw/zinc/59/14/20/436591420.db2.gz VWLWXDOOASFAKS-CGTJXYLNSA-N 2 1 320.502 3.092 20 0 DGADMP CSc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000660118748 436591423 /nfs/dbraw/zinc/59/14/23/436591423.db2.gz VWLWXDOOASFAKS-CGTJXYLNSA-N 2 1 320.502 3.092 20 0 DGADMP COc1cccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1Cl ZINC000660128916 436593616 /nfs/dbraw/zinc/59/36/16/436593616.db2.gz OFBYBAYZPKMTLT-CYBMUJFWSA-N 2 1 305.809 3.072 20 0 DGADMP COc1ccc([C@@H](C)C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000660166904 436599049 /nfs/dbraw/zinc/59/90/49/436599049.db2.gz ILXWBWLLQJQKNI-INIZCTEOSA-N 2 1 302.462 3.359 20 0 DGADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000664426614 436599573 /nfs/dbraw/zinc/59/95/73/436599573.db2.gz MECXWIIGBSVYHG-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000660304942 436621049 /nfs/dbraw/zinc/62/10/49/436621049.db2.gz HWRJKENYOHOMQF-MTFMMBMASA-N 2 1 316.489 3.269 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343728026 302118183 /nfs/dbraw/zinc/11/81/83/302118183.db2.gz IXXBBLGQQUHKOR-ZWKOTPCHSA-N 2 1 315.505 3.156 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000443217118 302208900 /nfs/dbraw/zinc/20/89/00/302208900.db2.gz QUMYJPUEMDIMDG-YZLZLFLDSA-N 2 1 315.505 3.201 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000443217118 302208902 /nfs/dbraw/zinc/20/89/02/302208902.db2.gz QUMYJPUEMDIMDG-YZLZLFLDSA-N 2 1 315.505 3.201 20 0 DGADMP COCCC1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000530206643 313339194 /nfs/dbraw/zinc/33/91/94/313339194.db2.gz BAIJKAKDCYXCRL-RTBURBONSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000530230206 313343524 /nfs/dbraw/zinc/34/35/24/313343524.db2.gz FNBWEWFFFAMHLX-OXHPOLQJSA-N 2 1 316.489 3.148 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1OC(F)(F)F ZINC000530407378 313367000 /nfs/dbraw/zinc/36/70/00/313367000.db2.gz CZMKLWLINAFKJI-LLVKDONJSA-N 2 1 313.323 3.212 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000530545651 313382642 /nfs/dbraw/zinc/38/26/42/313382642.db2.gz DSSZZRGFNOCALF-RDTXWAMCSA-N 2 1 302.462 3.349 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000531685230 313480655 /nfs/dbraw/zinc/48/06/55/313480655.db2.gz ZZOPPETVRQVXQN-AZUAARDMSA-N 2 1 316.489 3.098 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000541534794 314020867 /nfs/dbraw/zinc/02/08/67/314020867.db2.gz FAMNLNHFXDPOSB-ICBNADEASA-N 2 1 308.510 3.386 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541914315 314048810 /nfs/dbraw/zinc/04/88/10/314048810.db2.gz QZEZFEFEMYITQW-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000545983058 314281466 /nfs/dbraw/zinc/28/14/66/314281466.db2.gz FGMFBIOOQULAOL-GFCCVEGCSA-N 2 1 311.351 3.202 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552048943 314592835 /nfs/dbraw/zinc/59/28/35/314592835.db2.gz DXIPFKFZMHNMTD-GJZGRUSLSA-N 2 1 322.493 3.263 20 0 DGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000560024800 314899496 /nfs/dbraw/zinc/89/94/96/314899496.db2.gz JNEBHNDOUCTRCE-SJORKVTESA-N 2 1 318.509 3.300 20 0 DGADMP Cc1ncc(CNCc2ccnc(OC3CCCCC3)c2)n1C ZINC000563438020 315115803 /nfs/dbraw/zinc/11/58/03/315115803.db2.gz CNSGYYUVGYTDGI-UHFFFAOYSA-N 2 1 314.433 3.125 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)C1 ZINC000563949484 315149459 /nfs/dbraw/zinc/14/94/59/315149459.db2.gz ZDJWTRJXXXFUHG-HZPDHXFCSA-N 2 1 314.477 3.204 20 0 DGADMP COc1cccc(C2=CC[N@H+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000563969265 315151105 /nfs/dbraw/zinc/15/11/05/315151105.db2.gz ONTZDTMCDKXUQN-UHFFFAOYSA-N 2 1 311.429 3.151 20 0 DGADMP COc1cccc(C2=CC[N@@H+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000563969265 315151109 /nfs/dbraw/zinc/15/11/09/315151109.db2.gz ONTZDTMCDKXUQN-UHFFFAOYSA-N 2 1 311.429 3.151 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000564129797 315158977 /nfs/dbraw/zinc/15/89/77/315158977.db2.gz SYTLCBIQYZIRIM-LJQANCHMSA-N 2 1 303.494 3.423 20 0 DGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000565157558 315235104 /nfs/dbraw/zinc/23/51/04/315235104.db2.gz OFWJBSWPTQLZIP-SJORKVTESA-N 2 1 307.482 3.268 20 0 DGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000565157558 315235108 /nfs/dbraw/zinc/23/51/08/315235108.db2.gz OFWJBSWPTQLZIP-SJORKVTESA-N 2 1 307.482 3.268 20 0 DGADMP Cn1cncc1CCC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000565160960 315236071 /nfs/dbraw/zinc/23/60/71/315236071.db2.gz FBBUNADRDYTUGY-UHFFFAOYSA-N 2 1 321.852 3.407 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000565160960 315236073 /nfs/dbraw/zinc/23/60/73/315236073.db2.gz FBBUNADRDYTUGY-UHFFFAOYSA-N 2 1 321.852 3.407 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000565160960 315236076 /nfs/dbraw/zinc/23/60/76/315236076.db2.gz FBBUNADRDYTUGY-UHFFFAOYSA-N 2 1 321.852 3.407 20 0 DGADMP CC1=CC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000565553229 315270599 /nfs/dbraw/zinc/27/05/99/315270599.db2.gz CPENVGIBPPMWRV-DLBZAZTESA-N 2 1 319.518 3.125 20 0 DGADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000565632567 315275483 /nfs/dbraw/zinc/27/54/83/315275483.db2.gz ILJQZMWJWGVVMO-UHFFFAOYSA-N 2 1 324.490 3.087 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000565962847 315300757 /nfs/dbraw/zinc/30/07/57/315300757.db2.gz XCAGZRYVCPLBPY-HOTGVXAUSA-N 2 1 314.477 3.442 20 0 DGADMP Cc1nc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[nH]c1C ZINC000566020892 315304922 /nfs/dbraw/zinc/30/49/22/315304922.db2.gz HRJBUGZCYJPOSS-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP Cc1nc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[nH]c1C ZINC000566020892 315304925 /nfs/dbraw/zinc/30/49/25/315304925.db2.gz HRJBUGZCYJPOSS-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP Cc1ccc(OCC[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566351094 315336510 /nfs/dbraw/zinc/33/65/10/315336510.db2.gz JYAXCIAEKOZVQL-UHFFFAOYSA-N 2 1 310.441 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000566411745 315342208 /nfs/dbraw/zinc/34/22/08/315342208.db2.gz JOMDAPWGZYHUJX-WBVHZDCISA-N 2 1 320.440 3.337 20 0 DGADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000566690690 315368061 /nfs/dbraw/zinc/36/80/61/315368061.db2.gz GWUJUIHJCQXYPZ-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)cc1 ZINC000568273709 315498709 /nfs/dbraw/zinc/49/87/09/315498709.db2.gz XXJRPKWWKREJSJ-UHFFFAOYSA-N 2 1 300.450 3.158 20 0 DGADMP OCC1([NH2+]CC2CC2)CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000569853692 315608237 /nfs/dbraw/zinc/60/82/37/315608237.db2.gz WWIGQQKLRQMUDL-UHFFFAOYSA-N 2 1 324.468 3.166 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000571533334 315727858 /nfs/dbraw/zinc/72/78/58/315727858.db2.gz NFRFQDLRFGWNHU-UHFFFAOYSA-N 2 1 305.466 3.166 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802162 316169157 /nfs/dbraw/zinc/16/91/57/316169157.db2.gz JEHGLUHAPNLCRP-JXFKEZNVSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2c1CCC2 ZINC000576802162 316169160 /nfs/dbraw/zinc/16/91/60/316169160.db2.gz JEHGLUHAPNLCRP-JXFKEZNVSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802162 316169164 /nfs/dbraw/zinc/16/91/64/316169164.db2.gz JEHGLUHAPNLCRP-JXFKEZNVSA-N 2 1 311.473 3.019 20 0 DGADMP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2c1CCC2 ZINC000576802162 316169167 /nfs/dbraw/zinc/16/91/67/316169167.db2.gz JEHGLUHAPNLCRP-JXFKEZNVSA-N 2 1 311.473 3.019 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000577247907 316217073 /nfs/dbraw/zinc/21/70/73/316217073.db2.gz OPFMGWCIQWQOCE-HNNXBMFYSA-N 2 1 310.457 3.287 20 0 DGADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577289942 316221476 /nfs/dbraw/zinc/22/14/76/316221476.db2.gz WAWJGUATHHJXFG-HNNXBMFYSA-N 2 1 306.413 3.446 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000181808879 323270309 /nfs/dbraw/zinc/27/03/09/323270309.db2.gz HMSFKQZLLXGAQX-SJORKVTESA-N 2 1 307.482 3.401 20 0 DGADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182271140 323290058 /nfs/dbraw/zinc/29/00/58/323290058.db2.gz JNZUDTFBADZSPB-XLIONFOSSA-N 2 1 316.489 3.478 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000182494759 323301769 /nfs/dbraw/zinc/30/17/69/323301769.db2.gz MICOZSFFSMVEFC-HNNXBMFYSA-N 2 1 300.450 3.113 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2ccnc2)C12CCCCC2 ZINC000183181421 323328636 /nfs/dbraw/zinc/32/86/36/323328636.db2.gz VLNWYUZJBCTTGR-IAGOWNOFSA-N 2 1 305.466 3.333 20 0 DGADMP C[C@H]([NH2+]CCCCCn1cccn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724515 323394335 /nfs/dbraw/zinc/39/43/35/323394335.db2.gz WLLKIRRRWAKGLS-ROUUACIJSA-N 2 1 318.509 3.296 20 0 DGADMP C[C@@H]([NH2+]CCCCCn1cccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724497 323394535 /nfs/dbraw/zinc/39/45/35/323394535.db2.gz WLLKIRRRWAKGLS-QZTJIDSGSA-N 2 1 318.509 3.296 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000579863700 323928910 /nfs/dbraw/zinc/92/89/10/323928910.db2.gz JOMISTBPQQMCGZ-FGTMMUONSA-N 2 1 324.896 3.268 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000581200726 324087832 /nfs/dbraw/zinc/08/78/32/324087832.db2.gz HSYGHGXTUXNQND-UHFFFAOYSA-N 2 1 300.431 3.094 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000581200726 324087836 /nfs/dbraw/zinc/08/78/36/324087836.db2.gz HSYGHGXTUXNQND-UHFFFAOYSA-N 2 1 300.431 3.094 20 0 DGADMP c1ccc2cc(OCCC[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000581549050 324129194 /nfs/dbraw/zinc/12/91/94/324129194.db2.gz NRVGFRRNEMOHGL-RTBURBONSA-N 2 1 310.441 3.150 20 0 DGADMP CC[NH+]1CCC(NCc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000582007788 324178357 /nfs/dbraw/zinc/17/83/57/324178357.db2.gz KIVRLILZCGOUDK-UHFFFAOYSA-N 2 1 300.450 3.032 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000582149629 324196397 /nfs/dbraw/zinc/19/63/97/324196397.db2.gz SSJRZUDUYSSDOV-KRWDZBQOSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000582149629 324196400 /nfs/dbraw/zinc/19/64/00/324196400.db2.gz SSJRZUDUYSSDOV-KRWDZBQOSA-N 3 1 307.526 3.103 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000582149629 324196405 /nfs/dbraw/zinc/19/64/05/324196405.db2.gz SSJRZUDUYSSDOV-KRWDZBQOSA-N 3 1 307.526 3.103 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cccc(C)n2)CC1 ZINC000582178650 324199702 /nfs/dbraw/zinc/19/97/02/324199702.db2.gz MHZKBOALVMXDFG-UHFFFAOYSA-N 2 1 303.494 3.376 20 0 DGADMP CC(C)c1[nH+]c(CN(C)C[C@H]2CCC[N@H+](C)C2)c2ccccn21 ZINC000582909114 324290881 /nfs/dbraw/zinc/29/08/81/324290881.db2.gz PJRQCYRKYXZVJA-INIZCTEOSA-N 2 1 314.477 3.231 20 0 DGADMP CC(C)c1[nH+]c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c2ccccn21 ZINC000582909114 324290885 /nfs/dbraw/zinc/29/08/85/324290885.db2.gz PJRQCYRKYXZVJA-INIZCTEOSA-N 2 1 314.477 3.231 20 0 DGADMP Cc1nnsc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000583087094 324311831 /nfs/dbraw/zinc/31/18/31/324311831.db2.gz HOPTWGDMGKNQOO-CQSZACIVSA-N 2 1 322.522 3.323 20 0 DGADMP Cc1nnsc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000583087094 324311836 /nfs/dbraw/zinc/31/18/36/324311836.db2.gz HOPTWGDMGKNQOO-CQSZACIVSA-N 2 1 322.522 3.323 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000583124397 324316008 /nfs/dbraw/zinc/31/60/08/324316008.db2.gz KTWHCWYIMQVUQN-YWVIFJGQSA-N 2 1 317.408 3.365 20 0 DGADMP CSc1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCC2 ZINC000584351159 336059175 /nfs/dbraw/zinc/05/91/75/336059175.db2.gz UYCKVJSQSONTRD-KRWDZBQOSA-N 2 1 301.459 3.352 20 0 DGADMP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951669 533812430 /nfs/dbraw/zinc/81/24/30/533812430.db2.gz IRKGUFQJVYQMLR-HNBVOPMISA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292951669 533812442 /nfs/dbraw/zinc/81/24/42/533812442.db2.gz IRKGUFQJVYQMLR-HNBVOPMISA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788630 533828516 /nfs/dbraw/zinc/82/85/16/533828516.db2.gz YCZQFGYJVNBPBM-OWCLPIDISA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442788630 533828524 /nfs/dbraw/zinc/82/85/24/533828524.db2.gz YCZQFGYJVNBPBM-OWCLPIDISA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000414692132 533838647 /nfs/dbraw/zinc/83/86/47/533838647.db2.gz KUNXGBYVGJSAMY-SUMDDJOVSA-N 2 1 320.452 3.195 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@@H]1C[NH3+] ZINC000415121913 534042720 /nfs/dbraw/zinc/04/27/20/534042720.db2.gz HSXXLIOZNGTIMS-YPMHNXCESA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C[C@@H]1C[NH3+] ZINC000415121913 534042724 /nfs/dbraw/zinc/04/27/24/534042724.db2.gz HSXXLIOZNGTIMS-YPMHNXCESA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432408415 534065266 /nfs/dbraw/zinc/06/52/66/534065266.db2.gz BROUZPWBMVKHMA-CLCXKQKWSA-N 2 1 320.452 3.150 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000442784702 534080244 /nfs/dbraw/zinc/08/02/44/534080244.db2.gz VXTKFXBQJOFFBJ-ROUUACIJSA-N 2 1 324.468 3.462 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2)n1 ZINC000430556138 534095972 /nfs/dbraw/zinc/09/59/72/534095972.db2.gz UDNDQWMCTQLITD-IFXJQAMLSA-N 2 1 312.461 3.048 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2)n1 ZINC000430556138 534095975 /nfs/dbraw/zinc/09/59/75/534095975.db2.gz UDNDQWMCTQLITD-IFXJQAMLSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422748172 534108382 /nfs/dbraw/zinc/10/83/82/534108382.db2.gz SIDSLUBCSRHHHH-MUYFXNHWSA-N 3 1 315.505 3.319 20 0 DGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423076859 534208892 /nfs/dbraw/zinc/20/88/92/534208892.db2.gz RZJPPCYXGHOLRV-DOTOQJQBSA-N 2 1 301.478 3.361 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)O1 ZINC000309700451 534243002 /nfs/dbraw/zinc/24/30/02/534243002.db2.gz FVIYPBYOXPEEMU-RACLHMPKSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309685910 534420944 /nfs/dbraw/zinc/42/09/44/534420944.db2.gz ASUIVKZYIQTINJ-IEBWSBKVSA-N 2 1 309.457 3.390 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000154448977 521680581 /nfs/dbraw/zinc/68/05/81/521680581.db2.gz DBIZZJDQVANWQT-INIZCTEOSA-N 2 1 309.523 3.125 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000415057890 534677378 /nfs/dbraw/zinc/67/73/78/534677378.db2.gz VBYNVUAOCPARSU-CQSZACIVSA-N 2 1 302.340 3.192 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000156232807 524501172 /nfs/dbraw/zinc/50/11/72/524501172.db2.gz RLUYTLOHWQBKCL-IRXDYDNUSA-N 2 1 304.478 3.302 20 0 DGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000432837003 527479448 /nfs/dbraw/zinc/47/94/48/527479448.db2.gz XPKXNUGWTFLVTK-LJQANCHMSA-N 2 1 308.510 3.391 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429685620 527817018 /nfs/dbraw/zinc/81/70/18/527817018.db2.gz XILSPNLNFQFBBM-HNNXBMFYSA-N 2 1 313.445 3.022 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429685620 527817022 /nfs/dbraw/zinc/81/70/22/527817022.db2.gz XILSPNLNFQFBBM-HNNXBMFYSA-N 2 1 313.445 3.022 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429685620 527817025 /nfs/dbraw/zinc/81/70/25/527817025.db2.gz XILSPNLNFQFBBM-HNNXBMFYSA-N 2 1 313.445 3.022 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC(CC)(CC)C[NH3+])cc1 ZINC000429368880 528002758 /nfs/dbraw/zinc/00/27/58/528002758.db2.gz XBAQIYBLKXIKHW-UHFFFAOYSA-N 2 1 319.493 3.166 20 0 DGADMP CC[NH+](CC)CCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000445255373 528100078 /nfs/dbraw/zinc/10/00/78/528100078.db2.gz SOVSTBLKCHMGGC-UHFFFAOYSA-N 2 1 323.447 3.067 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000445255373 528100082 /nfs/dbraw/zinc/10/00/82/528100082.db2.gz SOVSTBLKCHMGGC-UHFFFAOYSA-N 2 1 323.447 3.067 20 0 DGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420381567 528104056 /nfs/dbraw/zinc/10/40/56/528104056.db2.gz XZKYIAJFGJVEJE-SJORKVTESA-N 2 1 317.477 3.115 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000441829777 528184540 /nfs/dbraw/zinc/18/45/40/528184540.db2.gz YDAPNMRCJBBWGL-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000441829777 528184545 /nfs/dbraw/zinc/18/45/45/528184545.db2.gz YDAPNMRCJBBWGL-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccsc1 ZINC000443097489 528222160 /nfs/dbraw/zinc/22/21/60/528222160.db2.gz VFEFUVXIIQUNEZ-SJORKVTESA-N 2 1 310.507 3.272 20 0 DGADMP CC1CCN([C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415078806 528260095 /nfs/dbraw/zinc/26/00/95/528260095.db2.gz HASMSPDZDDFOSH-SJORKVTESA-N 2 1 321.534 3.110 20 0 DGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432409168 528493852 /nfs/dbraw/zinc/49/38/52/528493852.db2.gz FHIVLKFMLPKGKB-AZUAARDMSA-N 2 1 318.505 3.344 20 0 DGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409168 528493857 /nfs/dbraw/zinc/49/38/57/528493857.db2.gz FHIVLKFMLPKGKB-AZUAARDMSA-N 2 1 318.505 3.344 20 0 DGADMP CCOCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697836 528659168 /nfs/dbraw/zinc/65/91/68/528659168.db2.gz ZQUBMBBWHSEOFU-INIZCTEOSA-N 2 1 308.491 3.119 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000435373308 528671860 /nfs/dbraw/zinc/67/18/60/528671860.db2.gz DKZJRVHCVWFCCT-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000435373308 528671864 /nfs/dbraw/zinc/67/18/64/528671864.db2.gz DKZJRVHCVWFCCT-DOTOQJQBSA-N 2 1 320.477 3.433 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)s1)[C@H]1CCC[NH2+]CC1 ZINC000435391210 528770388 /nfs/dbraw/zinc/77/03/88/528770388.db2.gz RURITGOZCKFNDN-NSHDSACASA-N 2 1 317.296 3.475 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309651702 528785602 /nfs/dbraw/zinc/78/56/02/528785602.db2.gz GVSICSULSQOZCE-AQNXPRMDSA-N 2 1 316.489 3.302 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+](C)C ZINC000493917213 535147109 /nfs/dbraw/zinc/14/71/09/535147109.db2.gz PSXRSFYLNQMPCH-VSZNYVQBSA-N 2 1 308.510 3.290 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC000449596192 535296693 /nfs/dbraw/zinc/29/66/93/535296693.db2.gz ABBZEYCUNMKOAY-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC000449596192 535296697 /nfs/dbraw/zinc/29/66/97/535296697.db2.gz ABBZEYCUNMKOAY-FUHWJXTLSA-N 2 1 302.462 3.056 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000472262535 535551271 /nfs/dbraw/zinc/55/12/71/535551271.db2.gz QWLPVHNHVIEQAS-ICSRJNTNSA-N 2 1 316.489 3.497 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000487274886 535725194 /nfs/dbraw/zinc/72/51/94/535725194.db2.gz YWXODXFQMYGWCS-ZDUSSCGKSA-N 2 1 305.397 3.155 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccnn1C1CCCC1)C(C)(C)C ZINC000449144639 535924551 /nfs/dbraw/zinc/92/45/51/535924551.db2.gz TZMKKGVKLSFCGF-QGZVFWFLSA-N 2 1 306.498 3.454 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449636101 536011228 /nfs/dbraw/zinc/01/12/28/536011228.db2.gz CVZQKZYHPKOBHM-CXQPBAHBSA-N 2 1 316.489 3.036 20 0 DGADMP CC[N@@H+](CCC(F)(F)F)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092737651 545849151 /nfs/dbraw/zinc/84/91/51/545849151.db2.gz BZKSSYWYMSDZAJ-UHFFFAOYSA-N 2 1 318.383 3.401 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](C)C1 ZINC000115628841 545874434 /nfs/dbraw/zinc/87/44/34/545874434.db2.gz ATQBZCRNQJAURT-PXNSSMCTSA-N 2 1 318.505 3.476 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000153426943 546009962 /nfs/dbraw/zinc/00/99/62/546009962.db2.gz WERBPWVUWOHMOP-HKUYNNGSSA-N 3 1 309.542 3.063 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000156874072 546036745 /nfs/dbraw/zinc/03/67/45/546036745.db2.gz CCLHZVGSQXWOST-WFASDCNBSA-N 2 1 300.368 3.320 20 0 DGADMP CCC[NH+]1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158557800 546047895 /nfs/dbraw/zinc/04/78/95/546047895.db2.gz XFYPFAQDSTWAOH-HDICACEKSA-N 3 1 309.542 3.209 20 0 DGADMP CCCN1CCC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158557800 546047901 /nfs/dbraw/zinc/04/79/01/546047901.db2.gz XFYPFAQDSTWAOH-HDICACEKSA-N 2 1 309.542 3.209 20 0 DGADMP CCCN1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158557800 546047903 /nfs/dbraw/zinc/04/79/03/546047903.db2.gz XFYPFAQDSTWAOH-HDICACEKSA-N 2 1 309.542 3.209 20 0 DGADMP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000164563912 546087240 /nfs/dbraw/zinc/08/72/40/546087240.db2.gz RVFPEVRGHLJOQM-CRAIPNDOSA-N 2 1 317.477 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000164661556 546088430 /nfs/dbraw/zinc/08/84/30/546088430.db2.gz NAPMBQPPAGDVSN-FPTDNZKUSA-N 2 1 319.474 3.060 20 0 DGADMP CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000166107506 546093526 /nfs/dbraw/zinc/09/35/26/546093526.db2.gz RRVLXAFBMLDDDE-OTWHNJEPSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1F ZINC000166776473 546096728 /nfs/dbraw/zinc/09/67/28/546096728.db2.gz ZLSFJJKHIVWWQF-BZUAXINKSA-N 2 1 306.425 3.200 20 0 DGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc2ccccn12 ZINC000185159323 546186495 /nfs/dbraw/zinc/18/64/95/546186495.db2.gz PCKNJPRUBFYGLV-UHFFFAOYSA-N 2 1 314.477 3.469 20 0 DGADMP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236740000 546280922 /nfs/dbraw/zinc/28/09/22/546280922.db2.gz RVFPEVRGHLJOQM-YJBOKZPZSA-N 2 1 317.477 3.373 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280293842 546382205 /nfs/dbraw/zinc/38/22/05/546382205.db2.gz ZKCDGTFSGNMZKO-PBHICJAKSA-N 2 1 318.461 3.013 20 0 DGADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000308391281 546450143 /nfs/dbraw/zinc/45/01/43/546450143.db2.gz JVMGNCRNWIATOW-RTBURBONSA-N 2 1 314.473 3.198 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309651113 546450980 /nfs/dbraw/zinc/45/09/80/546450980.db2.gz AGULSDGLWDGVNV-AABGKKOBSA-N 2 1 316.489 3.303 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066886 546531598 /nfs/dbraw/zinc/53/15/98/546531598.db2.gz ISFZCEOMEPUGOE-ROUUACIJSA-N 2 1 315.461 3.142 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000339067131 546531618 /nfs/dbraw/zinc/53/16/18/546531618.db2.gz GIJCKMNKJKEOAA-SZMVWBNQSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000339071601 546532984 /nfs/dbraw/zinc/53/29/84/546532984.db2.gz SIIIPRYVUGVLLH-IEZWGBDMSA-N 2 1 310.445 3.150 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC2CCCC2)n1 ZINC000339073907 546533017 /nfs/dbraw/zinc/53/30/17/546533017.db2.gz GURBHRCZXPKWRY-IRXDYDNUSA-N 2 1 315.461 3.119 20 0 DGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCCC2)n1 ZINC000339073907 546533018 /nfs/dbraw/zinc/53/30/18/546533018.db2.gz GURBHRCZXPKWRY-IRXDYDNUSA-N 2 1 315.461 3.119 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnccc1OC ZINC000347191535 546582918 /nfs/dbraw/zinc/58/29/18/546582918.db2.gz HMXSYIDKCMOXMG-NVXWUHKLSA-N 2 1 305.466 3.080 20 0 DGADMP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000359706282 546711255 /nfs/dbraw/zinc/71/12/55/546711255.db2.gz QDMINKVFZBKWGB-KSSFIOAISA-N 2 1 310.445 3.416 20 0 DGADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000359706282 546711261 /nfs/dbraw/zinc/71/12/61/546711261.db2.gz QDMINKVFZBKWGB-KSSFIOAISA-N 2 1 310.445 3.416 20 0 DGADMP CCc1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc(C)[nH+]1 ZINC000359716038 546711991 /nfs/dbraw/zinc/71/19/91/546711991.db2.gz LEQBKRXJRFIZQD-UHFFFAOYSA-N 2 1 324.472 3.466 20 0 DGADMP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000380939511 546737437 /nfs/dbraw/zinc/73/74/37/546737437.db2.gz LUUQWZNHTGLFSN-IBGZPJMESA-N 2 1 310.441 3.394 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383922359 546742440 /nfs/dbraw/zinc/74/24/40/546742440.db2.gz RCNJTDDHZIEIBQ-UWJYYQICSA-N 2 1 324.468 3.179 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000389957338 546753405 /nfs/dbraw/zinc/75/34/05/546753405.db2.gz FLBFASJLMFPQNS-ZFWWWQNUSA-N 2 1 314.351 3.146 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000396932934 546762112 /nfs/dbraw/zinc/76/21/12/546762112.db2.gz YBFLBRWBXQQURO-ZWKOTPCHSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000409447415 546769778 /nfs/dbraw/zinc/76/97/78/546769778.db2.gz LZNJJEBDTMGKIC-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000409447415 546769785 /nfs/dbraw/zinc/76/97/85/546769785.db2.gz LZNJJEBDTMGKIC-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000409447415 546769788 /nfs/dbraw/zinc/76/97/88/546769788.db2.gz LZNJJEBDTMGKIC-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000414171180 546781426 /nfs/dbraw/zinc/78/14/26/546781426.db2.gz CSTNSCZRAMSBPE-PBHICJAKSA-N 2 1 318.461 3.013 20 0 DGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000414292924 546783485 /nfs/dbraw/zinc/78/34/85/546783485.db2.gz BFEYGKVLYCPMQN-RYQLBKOJSA-N 2 1 302.462 3.369 20 0 DGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000414292924 546783491 /nfs/dbraw/zinc/78/34/91/546783491.db2.gz BFEYGKVLYCPMQN-RYQLBKOJSA-N 2 1 302.462 3.369 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414909024 546789958 /nfs/dbraw/zinc/78/99/58/546789958.db2.gz BTGGQUMXEOTLAO-UONOGXRCSA-N 2 1 307.869 3.300 20 0 DGADMP CC[C@@H]1C[N@@H+](CC[C@H](C)[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000431593600 546816062 /nfs/dbraw/zinc/81/60/62/546816062.db2.gz AJEMYTNLIPQDCP-XHSDSOJGSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000431593600 546816067 /nfs/dbraw/zinc/81/60/67/546816067.db2.gz AJEMYTNLIPQDCP-XHSDSOJGSA-N 2 1 316.580 3.420 20 0 DGADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000431593600 546816072 /nfs/dbraw/zinc/81/60/72/546816072.db2.gz AJEMYTNLIPQDCP-XHSDSOJGSA-N 2 1 316.580 3.420 20 0 DGADMP Cc1cc(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000436438726 546823572 /nfs/dbraw/zinc/82/35/72/546823572.db2.gz YKJJFYXLTJDSMT-CVEARBPZSA-N 2 1 310.445 3.193 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000453221493 546858145 /nfs/dbraw/zinc/85/81/45/546858145.db2.gz KEKMPUVTAOHWSE-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000453221493 546858149 /nfs/dbraw/zinc/85/81/49/546858149.db2.gz KEKMPUVTAOHWSE-ROUUACIJSA-N 2 1 302.462 3.371 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453405494 546861095 /nfs/dbraw/zinc/86/10/95/546861095.db2.gz OUURTIWCPIZYPZ-AKHDSKFASA-N 2 1 302.462 3.369 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453405494 546861100 /nfs/dbraw/zinc/86/11/00/546861100.db2.gz OUURTIWCPIZYPZ-AKHDSKFASA-N 2 1 302.462 3.369 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnn1-c1ccccc1 ZINC000453415172 546861438 /nfs/dbraw/zinc/86/14/38/546861438.db2.gz XETAPGQLZXMSHI-INIZCTEOSA-N 2 1 312.461 3.397 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cscc1Br)C1CC1 ZINC000453594381 546861909 /nfs/dbraw/zinc/86/19/09/546861909.db2.gz IJORXYNCMPTTBC-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000530460313 546976551 /nfs/dbraw/zinc/97/65/51/546976551.db2.gz KABCGRRFQNTWCX-CQSZACIVSA-N 2 1 307.850 3.443 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000559857024 547001051 /nfs/dbraw/zinc/00/10/51/547001051.db2.gz NLOZUFKVESCAQV-HSALFYBXSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559857024 547001053 /nfs/dbraw/zinc/00/10/53/547001053.db2.gz NLOZUFKVESCAQV-HSALFYBXSA-N 2 1 315.505 3.286 20 0 DGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559857024 547001056 /nfs/dbraw/zinc/00/10/56/547001056.db2.gz NLOZUFKVESCAQV-HSALFYBXSA-N 2 1 315.505 3.286 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647903949 547068589 /nfs/dbraw/zinc/06/85/89/547068589.db2.gz SZCTXEDHXWKBDX-QAPCUYQASA-N 2 1 320.502 3.251 20 0 DGADMP Fc1ccc([C@@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667620691 547246116 /nfs/dbraw/zinc/24/61/16/547246116.db2.gz KYITZWXWUHGBIO-MRXNPFEDSA-N 2 1 322.387 3.396 20 0 DGADMP Fc1ccc([C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667620691 547246124 /nfs/dbraw/zinc/24/61/24/547246124.db2.gz KYITZWXWUHGBIO-MRXNPFEDSA-N 2 1 322.387 3.396 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000667663093 547265026 /nfs/dbraw/zinc/26/50/26/547265026.db2.gz CQTMQORBURBNMN-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000667663093 547265031 /nfs/dbraw/zinc/26/50/31/547265031.db2.gz CQTMQORBURBNMN-KRWDZBQOSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000667706234 547283215 /nfs/dbraw/zinc/28/32/15/547283215.db2.gz UYIDKIZNFJFLFF-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000667706234 547283221 /nfs/dbraw/zinc/28/32/21/547283221.db2.gz UYIDKIZNFJFLFF-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000667706234 547283227 /nfs/dbraw/zinc/28/32/27/547283227.db2.gz UYIDKIZNFJFLFF-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667928875 547336928 /nfs/dbraw/zinc/33/69/28/547336928.db2.gz LEECSWHLZSRIAA-MOPGFXCFSA-N 2 1 302.462 3.184 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(C)(C)C ZINC000668489967 547466770 /nfs/dbraw/zinc/46/67/70/547466770.db2.gz OPGDVMYDMJREFY-CRAIPNDOSA-N 2 1 304.478 3.025 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668706174 547514003 /nfs/dbraw/zinc/51/40/03/547514003.db2.gz QBONIYLJSSPFOQ-RTBURBONSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000668706174 547514006 /nfs/dbraw/zinc/51/40/06/547514006.db2.gz QBONIYLJSSPFOQ-RTBURBONSA-N 2 1 316.489 3.113 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000668706174 547514012 /nfs/dbraw/zinc/51/40/12/547514012.db2.gz QBONIYLJSSPFOQ-RTBURBONSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668706174 547514017 /nfs/dbraw/zinc/51/40/17/547514017.db2.gz QBONIYLJSSPFOQ-RTBURBONSA-N 2 1 316.489 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668706174 547514020 /nfs/dbraw/zinc/51/40/20/547514020.db2.gz QBONIYLJSSPFOQ-RTBURBONSA-N 2 1 316.489 3.113 20 0 DGADMP CC(C)=CCC[C@H](C)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740764 547526743 /nfs/dbraw/zinc/52/67/43/547526743.db2.gz XFPJXOZGVQQKFL-PKOBYXMFSA-N 2 1 308.510 3.290 20 0 DGADMP C[C@H](CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785012 547541347 /nfs/dbraw/zinc/54/13/47/547541347.db2.gz LHQZTLOPQVYUMQ-IEBWSBKVSA-N 2 1 304.478 3.223 20 0 DGADMP FC(F)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000669614958 547661170 /nfs/dbraw/zinc/66/11/70/547661170.db2.gz FSUJXDKJBQTSGA-ZBCRRDGASA-N 2 1 316.436 3.043 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000670268874 547742476 /nfs/dbraw/zinc/74/24/76/547742476.db2.gz GMSQVTWNVVODBK-APWZRJJASA-N 2 1 318.505 3.415 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cn[nH]c1 ZINC000671120099 547770220 /nfs/dbraw/zinc/77/02/20/547770220.db2.gz LWIWSCQRLVQMMF-SMMRIJLZSA-N 2 1 324.472 3.361 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1Oc1ccccc1 ZINC000671294809 547784374 /nfs/dbraw/zinc/78/43/74/547784374.db2.gz FLNPLHTWBXGXQM-PSBWJHGTSA-N 2 1 314.473 3.449 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671740463 547822235 /nfs/dbraw/zinc/82/22/35/547822235.db2.gz FLYIAENNLNDXJH-ZDUSSCGKSA-N 2 1 317.433 3.304 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671746355 547824087 /nfs/dbraw/zinc/82/40/87/547824087.db2.gz SLWUODNKUWDEPB-ZIAGYGMSSA-N 2 1 317.433 3.304 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000671750152 547825268 /nfs/dbraw/zinc/82/52/68/547825268.db2.gz YOZHMRCDAZJYOS-IAGOWNOFSA-N 2 1 302.466 3.086 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671751476 547826115 /nfs/dbraw/zinc/82/61/15/547826115.db2.gz GVIXDVPVPLBLFV-LBPRGKRZSA-N 2 1 317.433 3.447 20 0 DGADMP COc1ccncc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672536142 547888554 /nfs/dbraw/zinc/88/85/54/547888554.db2.gz KNBNVGJOWWHUSB-UHFFFAOYSA-N 2 1 317.477 3.178 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000673626800 547975781 /nfs/dbraw/zinc/97/57/81/547975781.db2.gz DQJSSRMKZIQWFY-CZUORRHYSA-N 2 1 324.415 3.259 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713518 547985626 /nfs/dbraw/zinc/98/56/26/547985626.db2.gz GEWPSMQUEVIXJL-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713518 547985629 /nfs/dbraw/zinc/98/56/29/547985629.db2.gz GEWPSMQUEVIXJL-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713518 547985635 /nfs/dbraw/zinc/98/56/35/547985635.db2.gz GEWPSMQUEVIXJL-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000673713518 547985637 /nfs/dbraw/zinc/98/56/37/547985637.db2.gz GEWPSMQUEVIXJL-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP C[NH+](CCOCC[N@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000674231661 548048140 /nfs/dbraw/zinc/04/81/40/548048140.db2.gz DXQSGMQSKXFHBO-UHFFFAOYSA-N 2 1 324.515 3.390 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000674877974 548127926 /nfs/dbraw/zinc/12/79/26/548127926.db2.gz CNWQUVIOTRDDTP-AWEZNQCLSA-N 2 1 316.424 3.036 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCCCC3)nc2)CC1 ZINC000675751852 548265383 /nfs/dbraw/zinc/26/53/83/548265383.db2.gz RNICOHOBERDRGK-UHFFFAOYSA-N 2 1 316.493 3.036 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881447 548282979 /nfs/dbraw/zinc/28/29/79/548282979.db2.gz LIXKNPIWPUWJIE-QUCCMNQESA-N 2 1 314.473 3.215 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880881 548283523 /nfs/dbraw/zinc/28/35/23/548283523.db2.gz IDTGYHZIPLKIJN-UYAOXDASSA-N 2 1 316.489 3.241 20 0 DGADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881199 548283545 /nfs/dbraw/zinc/28/35/45/548283545.db2.gz KKBUEBPKWIDUGR-KXBFYZLASA-N 2 1 318.436 3.046 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882949 548284345 /nfs/dbraw/zinc/28/43/45/548284345.db2.gz VSAXDAUOIHCWAU-IEBWSBKVSA-N 2 1 318.436 3.046 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000675935070 548294630 /nfs/dbraw/zinc/29/46/30/548294630.db2.gz CAQMPOAVYIGOBK-IZBJGVDFSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000675935070 548294633 /nfs/dbraw/zinc/29/46/33/548294633.db2.gz CAQMPOAVYIGOBK-IZBJGVDFSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1noc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000676901793 548430311 /nfs/dbraw/zinc/43/03/11/548430311.db2.gz DZJKWZNXZVDVAP-AWEZNQCLSA-N 2 1 306.454 3.027 20 0 DGADMP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236929 548472282 /nfs/dbraw/zinc/47/22/82/548472282.db2.gz LVEOFDVVPGAYNM-ROUUACIJSA-N 2 1 302.462 3.370 20 0 DGADMP FC(F)Oc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677235636 548472431 /nfs/dbraw/zinc/47/24/31/548472431.db2.gz FUANVXBAQODJCR-GJZGRUSLSA-N 2 1 310.388 3.047 20 0 DGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237969 548473731 /nfs/dbraw/zinc/47/37/31/548473731.db2.gz SHHMBDOABXGHHK-RCCFBDPRSA-N 2 1 302.462 3.287 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(F)c1 ZINC000677242005 548475141 /nfs/dbraw/zinc/47/51/41/548475141.db2.gz VVKZGKGMQWLRHQ-YESZJQIVSA-N 2 1 306.425 3.200 20 0 DGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCC[NH+]3C)c2C1 ZINC000677922855 548580585 /nfs/dbraw/zinc/58/05/85/548580585.db2.gz HQPLRHPYXASLKB-GOSISDBHSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCCC[NH+]3C)c2C1 ZINC000677922855 548580588 /nfs/dbraw/zinc/58/05/88/548580588.db2.gz HQPLRHPYXASLKB-GOSISDBHSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCCC[N@@H+]3C)c2C1 ZINC000677922855 548580593 /nfs/dbraw/zinc/58/05/93/548580593.db2.gz HQPLRHPYXASLKB-GOSISDBHSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCCC[N@H+]3C)c2C1 ZINC000677922855 548580598 /nfs/dbraw/zinc/58/05/98/548580598.db2.gz HQPLRHPYXASLKB-GOSISDBHSA-N 2 1 315.461 3.081 20 0 DGADMP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C)cc1C ZINC000678075076 548607645 /nfs/dbraw/zinc/60/76/45/548607645.db2.gz OZOVQEPIBQVQIE-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C)cc1C ZINC000678075076 548607649 /nfs/dbraw/zinc/60/76/49/548607649.db2.gz OZOVQEPIBQVQIE-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C)cc1C ZINC000678075076 548607653 /nfs/dbraw/zinc/60/76/53/548607653.db2.gz OZOVQEPIBQVQIE-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C)cc1C ZINC000678075076 548607657 /nfs/dbraw/zinc/60/76/57/548607657.db2.gz OZOVQEPIBQVQIE-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCOc3ccccc32)C[C@H]1C ZINC000678277085 548666188 /nfs/dbraw/zinc/66/61/88/548666188.db2.gz QCPYJDGXOWQZJC-ZACQAIPSSA-N 2 1 302.462 3.357 20 0 DGADMP C[NH+](C)CCCC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000678282493 548670534 /nfs/dbraw/zinc/67/05/34/548670534.db2.gz WBFVMSQMWYCYKK-UHFFFAOYSA-N 2 1 300.450 3.117 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000678285423 548670635 /nfs/dbraw/zinc/67/06/35/548670635.db2.gz BFXKFPOEMIMNLY-ZWKOTPCHSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000678285423 548670641 /nfs/dbraw/zinc/67/06/41/548670641.db2.gz BFXKFPOEMIMNLY-ZWKOTPCHSA-N 2 1 314.473 3.216 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000678285423 548670646 /nfs/dbraw/zinc/67/06/46/548670646.db2.gz BFXKFPOEMIMNLY-ZWKOTPCHSA-N 2 1 314.473 3.216 20 0 DGADMP c1csc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000678685643 548751158 /nfs/dbraw/zinc/75/11/58/548751158.db2.gz KBMXWPRTXGWMMW-WMZOPIPTSA-N 2 1 320.502 3.432 20 0 DGADMP C[C@@H](CCCCO)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000679349528 548883615 /nfs/dbraw/zinc/88/36/15/548883615.db2.gz SHYPBKUPQUWDGW-HLNWXESRSA-N 2 1 318.505 3.284 20 0 DGADMP Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000679393350 548891924 /nfs/dbraw/zinc/89/19/24/548891924.db2.gz WIEHGQAZJQVIOL-GOSISDBHSA-N 2 1 302.462 3.480 20 0 DGADMP Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000679393350 548891926 /nfs/dbraw/zinc/89/19/26/548891926.db2.gz WIEHGQAZJQVIOL-GOSISDBHSA-N 2 1 302.462 3.480 20 0 DGADMP Cc1nccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000680067062 548991632 /nfs/dbraw/zinc/99/16/32/548991632.db2.gz AXMYPIVAGDXYOM-IPMKNSEASA-N 2 1 322.456 3.498 20 0 DGADMP Cc1nccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000680067056 548992085 /nfs/dbraw/zinc/99/20/85/548992085.db2.gz AXMYPIVAGDXYOM-CEXWTWQISA-N 2 1 322.456 3.498 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680352190 549037531 /nfs/dbraw/zinc/03/75/31/549037531.db2.gz JQFGDXBWRLDQNU-KRFUXDQASA-N 2 1 316.489 3.300 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378565 549044321 /nfs/dbraw/zinc/04/43/21/549044321.db2.gz YBNNWQDACHQMNT-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000680378565 549044327 /nfs/dbraw/zinc/04/43/27/549044327.db2.gz YBNNWQDACHQMNT-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+](CC1CCCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680818225 549109199 /nfs/dbraw/zinc/10/91/99/549109199.db2.gz RVLSCBMJVWNCKX-LJQANCHMSA-N 2 1 307.526 3.057 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000681391480 549201702 /nfs/dbraw/zinc/20/17/02/549201702.db2.gz IBKUZUZEYHJMPO-XGXHKWSGSA-N 2 1 316.489 3.300 20 0 DGADMP Cc1ncc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1 ZINC000681682282 549241346 /nfs/dbraw/zinc/24/13/46/549241346.db2.gz VNUUMJKCLCTKCI-HNNXBMFYSA-N 2 1 304.482 3.207 20 0 DGADMP CCCC[C@@H](CC)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682154516 549297794 /nfs/dbraw/zinc/29/77/94/549297794.db2.gz HHSWAELCYBYUKA-MOPGFXCFSA-N 2 1 309.542 3.305 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000683224385 549453750 /nfs/dbraw/zinc/45/37/50/549453750.db2.gz JDAUKSJNBBIFAX-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000683224385 549453752 /nfs/dbraw/zinc/45/37/52/549453752.db2.gz JDAUKSJNBBIFAX-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000683224385 549453757 /nfs/dbraw/zinc/45/37/57/549453757.db2.gz JDAUKSJNBBIFAX-UHFFFAOYSA-N 2 1 314.477 3.424 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2C2CC2)CCCO1 ZINC000683344587 549471217 /nfs/dbraw/zinc/47/12/17/549471217.db2.gz YITZPEOMZNSHHI-INIZCTEOSA-N 2 1 302.462 3.155 20 0 DGADMP CC[C@H](Cc1cccs1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000683345474 549472120 /nfs/dbraw/zinc/47/21/20/549472120.db2.gz CPWFMISMXYIFLD-JKSUJKDBSA-N 2 1 310.507 3.160 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)o1 ZINC000683691206 549519502 /nfs/dbraw/zinc/51/95/02/549519502.db2.gz XKEZFMJRFDTCKS-ZBFHGGJFSA-N 2 1 306.450 3.048 20 0 DGADMP CC(C)(C)OCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000684211558 549596468 /nfs/dbraw/zinc/59/64/68/549596468.db2.gz AUAALTGQCHWAPD-KDURUIRLSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)(C)OCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000684211558 549596473 /nfs/dbraw/zinc/59/64/73/549596473.db2.gz AUAALTGQCHWAPD-KDURUIRLSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)(C)OCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000684211558 549596476 /nfs/dbraw/zinc/59/64/76/549596476.db2.gz AUAALTGQCHWAPD-KDURUIRLSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(C)c1O ZINC000685420466 549756848 /nfs/dbraw/zinc/75/68/48/549756848.db2.gz YMGICPBWJBARBU-PKOBYXMFSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(C)c1O ZINC000685420466 549756851 /nfs/dbraw/zinc/75/68/51/549756851.db2.gz YMGICPBWJBARBU-PKOBYXMFSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C)c1O ZINC000685420466 549756853 /nfs/dbraw/zinc/75/68/53/549756853.db2.gz YMGICPBWJBARBU-PKOBYXMFSA-N 2 1 314.473 3.458 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCOc2ccccc21 ZINC000685459727 549764105 /nfs/dbraw/zinc/76/41/05/549764105.db2.gz IFJASOWFEAZVTH-KRWDZBQOSA-N 2 1 302.462 3.361 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685471233 549767598 /nfs/dbraw/zinc/76/75/98/549767598.db2.gz RNNNRDRCGFWWBC-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685471233 549767602 /nfs/dbraw/zinc/76/76/02/549767602.db2.gz RNNNRDRCGFWWBC-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685471233 549767604 /nfs/dbraw/zinc/76/76/04/549767604.db2.gz RNNNRDRCGFWWBC-HTYIOQIQSA-N 2 1 306.400 3.394 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000685571000 549776028 /nfs/dbraw/zinc/77/60/28/549776028.db2.gz UVFHCLOXLYXEBM-OALUTQOASA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000685571000 549776030 /nfs/dbraw/zinc/77/60/30/549776030.db2.gz UVFHCLOXLYXEBM-OALUTQOASA-N 2 1 304.478 3.209 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000743857154 575066431 /nfs/dbraw/zinc/06/64/31/575066431.db2.gz OFVVLOBSNXPFRJ-HSALFYBXSA-N 2 1 316.489 3.020 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000743857154 575066433 /nfs/dbraw/zinc/06/64/33/575066433.db2.gz OFVVLOBSNXPFRJ-HSALFYBXSA-N 2 1 316.489 3.020 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1C(C)(C)C1(C)C ZINC000746601038 575463710 /nfs/dbraw/zinc/46/37/10/575463710.db2.gz UOXXFFLOXATIID-GOEBONIOSA-N 2 1 308.510 3.290 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000398064639 575960209 /nfs/dbraw/zinc/96/02/09/575960209.db2.gz XFUOHTBIRUUNLK-OXQOHEQNSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398179773 575961207 /nfs/dbraw/zinc/96/12/07/575961207.db2.gz WTZBQMFKRYNPHD-OXJNMPFZSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852745303 620644915 /nfs/dbraw/zinc/64/49/15/620644915.db2.gz QQSGOHPHPSXCKU-UHFFFAOYSA-N 2 1 312.461 3.021 20 0 DGADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCCCCC[NH3+] ZINC000852760274 620646629 /nfs/dbraw/zinc/64/66/29/620646629.db2.gz XYCHSNYJJVBTSR-KRWDZBQOSA-N 2 1 308.441 3.497 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CCCC1 ZINC000806160506 617619688 /nfs/dbraw/zinc/61/96/88/617619688.db2.gz SOPFVQRKNDTXNK-CQSZACIVSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000926197369 617843960 /nfs/dbraw/zinc/84/39/60/617843960.db2.gz PNTRJWPMVKCIFU-RHSMWYFYSA-N 2 1 302.418 3.116 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnc(OC)c2F)CC1 ZINC000891611533 617851576 /nfs/dbraw/zinc/85/15/76/617851576.db2.gz OCSKLPXFHUSGGZ-UHFFFAOYSA-N 2 1 323.456 3.173 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(OC)c2F)CC1 ZINC000891611533 617851582 /nfs/dbraw/zinc/85/15/82/617851582.db2.gz OCSKLPXFHUSGGZ-UHFFFAOYSA-N 2 1 323.456 3.173 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000891746359 617888202 /nfs/dbraw/zinc/88/82/02/617888202.db2.gz TZAIUJWAVIGGBW-UHFFFAOYSA-N 2 1 302.462 3.174 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CNc2cc(N)[nH+]cc2Cl)c1 ZINC000891965169 617936074 /nfs/dbraw/zinc/93/60/74/617936074.db2.gz MVPUPXGIIJPSFG-UHFFFAOYSA-N 2 1 304.825 3.381 20 0 DGADMP O[C@H](C[N@H+](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000919770939 620765285 /nfs/dbraw/zinc/76/52/85/620765285.db2.gz WZLSVGDWVOPHBW-FQEVSTJZSA-N 2 1 316.489 3.278 20 0 DGADMP O[C@H](C[N@@H+](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000919770939 620765287 /nfs/dbraw/zinc/76/52/87/620765287.db2.gz WZLSVGDWVOPHBW-FQEVSTJZSA-N 2 1 316.489 3.278 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142465 617974541 /nfs/dbraw/zinc/97/45/41/617974541.db2.gz FYFMKCVDCHNNOB-CRAIPNDOSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2O1 ZINC000892142465 617974544 /nfs/dbraw/zinc/97/45/44/617974544.db2.gz FYFMKCVDCHNNOB-CRAIPNDOSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142465 617974548 /nfs/dbraw/zinc/97/45/48/617974548.db2.gz FYFMKCVDCHNNOB-CRAIPNDOSA-N 2 1 314.473 3.174 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)ccc2O1 ZINC000892142465 617974549 /nfs/dbraw/zinc/97/45/49/617974549.db2.gz FYFMKCVDCHNNOB-CRAIPNDOSA-N 2 1 314.473 3.174 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000892186292 617979949 /nfs/dbraw/zinc/97/99/49/617979949.db2.gz YOGKXNRPZLUDHP-FQEVSTJZSA-N 2 1 316.489 3.052 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000892300329 618013537 /nfs/dbraw/zinc/01/35/37/618013537.db2.gz LGHJBMMJJDITHL-ZDUSSCGKSA-N 2 1 308.385 3.351 20 0 DGADMP C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469869 618028520 /nfs/dbraw/zinc/02/85/20/618028520.db2.gz HGHAFXGHDLJHGN-YVWKXTFCSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469869 618028525 /nfs/dbraw/zinc/02/85/25/618028525.db2.gz HGHAFXGHDLJHGN-YVWKXTFCSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924529996 618066187 /nfs/dbraw/zinc/06/61/87/618066187.db2.gz VBRLCTUUTJVOLQ-PMACEKPBSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753754 618110090 /nfs/dbraw/zinc/11/00/90/618110090.db2.gz IXSMYENSAJXWGQ-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnn1CC1CCC1 ZINC000926753754 618110092 /nfs/dbraw/zinc/11/00/92/618110092.db2.gz IXSMYENSAJXWGQ-NVXWUHKLSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)c1nnc(C[NH2+]CCCC[NH+]2CCC(C)CC2)s1 ZINC000892588667 618113696 /nfs/dbraw/zinc/11/36/96/618113696.db2.gz IYGKUXUNRIOODS-UHFFFAOYSA-N 2 1 310.511 3.263 20 0 DGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(OC)no1 ZINC000924585334 618131974 /nfs/dbraw/zinc/13/19/74/618131974.db2.gz UXUHAKZPMGMOGJ-AWEZNQCLSA-N 2 1 317.433 3.376 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1F ZINC000892676818 618134213 /nfs/dbraw/zinc/13/42/13/618134213.db2.gz PPAFNJAAQBVUQA-UHFFFAOYSA-N 2 1 317.408 3.103 20 0 DGADMP O[C@H](CN1CCCC1)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000920096534 620782779 /nfs/dbraw/zinc/78/27/79/620782779.db2.gz ZQXQAGVCGDWNGJ-WIYYLYMNSA-N 2 1 324.468 3.433 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000920096534 620782780 /nfs/dbraw/zinc/78/27/80/620782780.db2.gz ZQXQAGVCGDWNGJ-WIYYLYMNSA-N 2 1 324.468 3.433 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000920096534 620782781 /nfs/dbraw/zinc/78/27/81/620782781.db2.gz ZQXQAGVCGDWNGJ-WIYYLYMNSA-N 2 1 324.468 3.433 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000854230135 620786146 /nfs/dbraw/zinc/78/61/46/620786146.db2.gz HJOAGTUCORKLNC-JOYOIKCWSA-N 2 1 318.234 3.007 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]CCc2cccc(OC(F)(F)F)c2)C1 ZINC000892946626 618362718 /nfs/dbraw/zinc/36/27/18/618362718.db2.gz IVMTZKRRKVXZPP-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)F)CC1 ZINC000894566716 618388284 /nfs/dbraw/zinc/38/82/84/618388284.db2.gz NJPAYLODQHMVJC-HNNXBMFYSA-N 2 1 312.404 3.247 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)F)CC1 ZINC000894566716 618388286 /nfs/dbraw/zinc/38/82/86/618388286.db2.gz NJPAYLODQHMVJC-HNNXBMFYSA-N 2 1 312.404 3.247 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(N3CCC(CCC[NH+](C)C)CC3)c12 ZINC000893062893 618409672 /nfs/dbraw/zinc/40/96/72/618409672.db2.gz WOYPXOTZXSHWFL-UHFFFAOYSA-N 2 1 315.465 3.079 20 0 DGADMP Cc1[nH+]ccc(N2CCC3(CCC[N@@H+]3C)CC2)c1Br ZINC000893092137 618422454 /nfs/dbraw/zinc/42/24/54/618422454.db2.gz KJMRTLGQXCISCA-UHFFFAOYSA-N 2 1 324.266 3.217 20 0 DGADMP Cc1ncoc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894747135 618443633 /nfs/dbraw/zinc/44/36/33/618443633.db2.gz CGBPXSYVWLULLX-LJQANCHMSA-N 2 1 311.429 3.081 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000925588504 618501757 /nfs/dbraw/zinc/50/17/57/618501757.db2.gz QOOSIPLYQYZZGA-QFBILLFUSA-N 2 1 308.510 3.149 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925631794 618515604 /nfs/dbraw/zinc/51/56/04/618515604.db2.gz KKRCHLSFIUOHCF-XABYNWHXSA-N 2 1 305.491 3.195 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCC(C)(O)CC1 ZINC000893327488 618516325 /nfs/dbraw/zinc/51/63/25/618516325.db2.gz JSTZTGVZBDMAAL-UHFFFAOYSA-N 2 1 304.478 3.310 20 0 DGADMP CCc1onc(C)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000893331089 618518500 /nfs/dbraw/zinc/51/85/00/618518500.db2.gz MBHXSUFUMFSMFH-UHFFFAOYSA-N 2 1 313.445 3.431 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000893530759 618585961 /nfs/dbraw/zinc/58/59/61/618585961.db2.gz ARCNFTGXWYXVGX-AWEZNQCLSA-N 2 1 322.412 3.361 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895292249 618588962 /nfs/dbraw/zinc/58/89/62/618588962.db2.gz OICCMQHZQBMIHD-LLVKDONJSA-N 2 1 306.479 3.011 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)[NH+](C)C ZINC000895293147 618588975 /nfs/dbraw/zinc/58/89/75/618588975.db2.gz JXSJSQKBQUTBEN-INIZCTEOSA-N 2 1 312.461 3.279 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)[NH+](C)C ZINC000895299960 618590672 /nfs/dbraw/zinc/59/06/72/618590672.db2.gz PHWDGICNUAGLTO-GFCCVEGCSA-N 2 1 304.356 3.058 20 0 DGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895300333 618590698 /nfs/dbraw/zinc/59/06/98/618590698.db2.gz UEJZUKNKKDTJFE-ZDUSSCGKSA-N 2 1 318.440 3.058 20 0 DGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780499 618617609 /nfs/dbraw/zinc/61/76/09/618617609.db2.gz SQBGLNCYBFQEDQ-DZGCQCFKSA-N 2 1 312.404 3.369 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCS2 ZINC000925781429 618618106 /nfs/dbraw/zinc/61/81/06/618618106.db2.gz YMWPCWNVUNKMKA-MFKMUULPSA-N 2 1 316.392 3.197 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781100 618618212 /nfs/dbraw/zinc/61/82/12/618618212.db2.gz WQXPLHUAGIOERV-AAEUAGOBSA-N 2 1 300.418 3.304 20 0 DGADMP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861831 618647935 /nfs/dbraw/zinc/64/79/35/618647935.db2.gz UBFPGAYGBVEIJM-WEOZKBJRSA-N 3 1 301.478 3.072 20 0 DGADMP C[C@H]([NH3+])[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000925861831 618647937 /nfs/dbraw/zinc/64/79/37/618647937.db2.gz UBFPGAYGBVEIJM-WEOZKBJRSA-N 2 1 301.478 3.072 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049633 618699603 /nfs/dbraw/zinc/69/96/03/618699603.db2.gz IFVLPXLGNPCNDI-HIFRSBDPSA-N 2 1 324.440 3.005 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894200796 618727915 /nfs/dbraw/zinc/72/79/15/618727915.db2.gz RFWPYAVLFKVMDQ-ZDUSSCGKSA-N 2 1 304.459 3.428 20 0 DGADMP Cc1ccnc(N)c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000894211900 618731758 /nfs/dbraw/zinc/73/17/58/618731758.db2.gz USYSZNFSFQOVHA-UHFFFAOYSA-N 2 1 316.493 3.107 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000924911852 618737720 /nfs/dbraw/zinc/73/77/20/618737720.db2.gz IKJIXFJBCMBHRF-LJQANCHMSA-N 2 1 317.477 3.013 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924954948 618748666 /nfs/dbraw/zinc/74/86/66/618748666.db2.gz YILHXZGYVSWXOW-UONOGXRCSA-N 2 1 301.438 3.100 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(Br)CC2)C1 ZINC000924960078 618750073 /nfs/dbraw/zinc/75/00/73/618750073.db2.gz OBTWXOOUQJXOCR-OLZOCXBDSA-N 2 1 303.288 3.012 20 0 DGADMP Cc1ncoc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000894358866 618771546 /nfs/dbraw/zinc/77/15/46/618771546.db2.gz JZBNPGFPVXWNER-CRAIPNDOSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1ncoc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000894358870 618771578 /nfs/dbraw/zinc/77/15/78/618771578.db2.gz JZBNPGFPVXWNER-QAPCUYQASA-N 2 1 313.445 3.373 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000895479730 618790421 /nfs/dbraw/zinc/79/04/21/618790421.db2.gz UMUKVPFRZQNDJW-IBGZPJMESA-N 2 1 315.505 3.492 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000895479730 618790423 /nfs/dbraw/zinc/79/04/23/618790423.db2.gz UMUKVPFRZQNDJW-IBGZPJMESA-N 2 1 315.505 3.492 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3ccncc3s2)CCN1c1cc[nH+]cc1 ZINC000895556240 618798301 /nfs/dbraw/zinc/79/83/01/618798301.db2.gz GZIDZJQEDGSGOH-AWEZNQCLSA-N 2 1 324.453 3.402 20 0 DGADMP CC[N@@H+]1CC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672086 618816263 /nfs/dbraw/zinc/81/62/63/618816263.db2.gz OQJASCQGOSZPSO-DFQSSKMNSA-N 2 1 313.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672086 618816265 /nfs/dbraw/zinc/81/62/65/618816265.db2.gz OQJASCQGOSZPSO-DFQSSKMNSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672086 618816268 /nfs/dbraw/zinc/81/62/68/618816268.db2.gz OQJASCQGOSZPSO-DFQSSKMNSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672086 618816269 /nfs/dbraw/zinc/81/62/69/618816269.db2.gz OQJASCQGOSZPSO-DFQSSKMNSA-N 2 1 313.489 3.038 20 0 DGADMP CCN(C)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000895684025 618818576 /nfs/dbraw/zinc/81/85/76/618818576.db2.gz ZSYSEACWDPLPHG-UHFFFAOYSA-N 2 1 318.509 3.236 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)(C)CO ZINC000925134635 618925733 /nfs/dbraw/zinc/92/57/33/618925733.db2.gz HJDUJNYOJSZPNJ-SQWLQELKSA-N 2 1 310.507 3.128 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)CO ZINC000925134635 618925736 /nfs/dbraw/zinc/92/57/36/618925736.db2.gz HJDUJNYOJSZPNJ-SQWLQELKSA-N 2 1 310.507 3.128 20 0 DGADMP C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925221212 619079831 /nfs/dbraw/zinc/07/98/31/619079831.db2.gz KWFWDZUPTCVLPE-SNRMKQJTSA-N 2 1 303.494 3.272 20 0 DGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000897909938 619195003 /nfs/dbraw/zinc/19/50/03/619195003.db2.gz SGBVWFADOPTRPS-IAGOWNOFSA-N 2 1 315.461 3.047 20 0 DGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000897909938 619195004 /nfs/dbraw/zinc/19/50/04/619195004.db2.gz SGBVWFADOPTRPS-IAGOWNOFSA-N 2 1 315.461 3.047 20 0 DGADMP C1=CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000898032559 619208010 /nfs/dbraw/zinc/20/80/10/619208010.db2.gz UIKQNKOXXRKADQ-IEBWSBKVSA-N 2 1 306.494 3.356 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000924656313 619254008 /nfs/dbraw/zinc/25/40/08/619254008.db2.gz HLEUYSKGIYYBEX-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000924656313 619254010 /nfs/dbraw/zinc/25/40/10/619254010.db2.gz HLEUYSKGIYYBEX-OAHLLOKOSA-N 2 1 300.450 3.111 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)C1 ZINC000926974133 619254450 /nfs/dbraw/zinc/25/44/50/619254450.db2.gz DIXGVFUXHFVARG-RKTXRCNFSA-N 2 1 308.416 3.355 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)C1 ZINC000926974121 619254561 /nfs/dbraw/zinc/25/45/61/619254561.db2.gz DIXGVFUXHFVARG-MWQQHZPXSA-N 2 1 308.416 3.355 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924683767 619256881 /nfs/dbraw/zinc/25/68/81/619256881.db2.gz BKJJASGKBCWKKU-APWZRJJASA-N 2 1 308.510 3.436 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000924712638 619263556 /nfs/dbraw/zinc/26/35/56/619263556.db2.gz JCZADLADKUDTJX-NSHDSACASA-N 2 1 323.238 3.090 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000898513209 619282379 /nfs/dbraw/zinc/28/23/79/619282379.db2.gz QOLREUHUTBADBY-INIZCTEOSA-N 2 1 301.821 3.058 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CO1 ZINC000898517675 619283379 /nfs/dbraw/zinc/28/33/79/619283379.db2.gz BKVZPKQFXTXPQT-LFZDHENXSA-N 2 1 314.473 3.054 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC000898522994 619283952 /nfs/dbraw/zinc/28/39/52/619283952.db2.gz WTUVNLGBBXCYDV-AABGKKOBSA-N 2 1 321.468 3.472 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924750637 619313659 /nfs/dbraw/zinc/31/36/59/619313659.db2.gz GSXQWGSIUSFCMH-BPQIPLTHSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924750637 619313660 /nfs/dbraw/zinc/31/36/60/619313660.db2.gz GSXQWGSIUSFCMH-BPQIPLTHSA-N 2 1 308.510 3.292 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751439 619316331 /nfs/dbraw/zinc/31/63/31/619316331.db2.gz KPYHBDBVOZUFMU-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924751439 619316333 /nfs/dbraw/zinc/31/63/33/619316333.db2.gz KPYHBDBVOZUFMU-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP CCn1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000902064592 619585838 /nfs/dbraw/zinc/58/58/38/619585838.db2.gz JHKGKEJIECFKLS-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CCn1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000902064592 619585840 /nfs/dbraw/zinc/58/58/40/619585840.db2.gz JHKGKEJIECFKLS-UHFFFAOYSA-N 2 1 300.450 3.033 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C1 ZINC000902318306 619614414 /nfs/dbraw/zinc/61/44/14/619614414.db2.gz GRZRPXDFLTZGNU-RTBURBONSA-N 2 1 315.505 3.191 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000902359192 619626962 /nfs/dbraw/zinc/62/69/62/619626962.db2.gz FXBCJQAEAZHNID-IAGOWNOFSA-N 2 1 319.493 3.174 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000902384064 619629434 /nfs/dbraw/zinc/62/94/34/619629434.db2.gz GQBUYMGCIOALKC-CVEARBPZSA-N 2 1 312.461 3.301 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000902394726 619630808 /nfs/dbraw/zinc/63/08/08/619630808.db2.gz BLSDCGVKNNJBMC-AWEZNQCLSA-N 2 1 306.425 3.235 20 0 DGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902417572 619632483 /nfs/dbraw/zinc/63/24/83/619632483.db2.gz TWENRELJWLVVAB-MRXNPFEDSA-N 2 1 302.462 3.434 20 0 DGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902418707 619632793 /nfs/dbraw/zinc/63/27/93/619632793.db2.gz YOHSNOSTSAKMTI-CQSZACIVSA-N 2 1 311.267 3.241 20 0 DGADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902731929 619667364 /nfs/dbraw/zinc/66/73/64/619667364.db2.gz SQQZXLIDWABBNH-WMZOPIPTSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902788992 619676912 /nfs/dbraw/zinc/67/69/12/619676912.db2.gz BSKSQSYNMJAEEV-LZQZEXGQSA-N 2 1 319.493 3.403 20 0 DGADMP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000902979898 619699295 /nfs/dbraw/zinc/69/92/95/619699295.db2.gz VJDRGNBLNFYPLN-GFLQDLJJSA-N 2 1 318.505 3.187 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903016767 619701770 /nfs/dbraw/zinc/70/17/70/619701770.db2.gz HKOWRAPVIOFOEB-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000903015277 619701824 /nfs/dbraw/zinc/70/18/24/619701824.db2.gz FHPUAEVIBNMDQA-HNNXBMFYSA-N 2 1 318.461 3.307 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C1CC1 ZINC000903017622 619702180 /nfs/dbraw/zinc/70/21/80/619702180.db2.gz WNKDQGVXVFFKAT-ROUUACIJSA-N 2 1 308.510 3.436 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000903011285 619704527 /nfs/dbraw/zinc/70/45/27/619704527.db2.gz WKPMPDRIBIQGPV-HZTRTUMWSA-N 2 1 316.445 3.057 20 0 DGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000903060486 619708123 /nfs/dbraw/zinc/70/81/23/619708123.db2.gz ZQUMHQQNUUOYNG-CQSZACIVSA-N 2 1 316.445 3.027 20 0 DGADMP COCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903062891 619708676 /nfs/dbraw/zinc/70/86/76/619708676.db2.gz YGLGQQORVQPKQV-JLYLLQBASA-N 2 1 300.446 3.080 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903074893 619711254 /nfs/dbraw/zinc/71/12/54/619711254.db2.gz XKZAFPQZGCWXIH-DNVCBOLYSA-N 2 1 320.452 3.225 20 0 DGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903074862 619711271 /nfs/dbraw/zinc/71/12/71/619711271.db2.gz XHJBIFOYKNMFRP-ZNBHLAFESA-N 2 1 319.537 3.244 20 0 DGADMP C[C@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084473 619713408 /nfs/dbraw/zinc/71/34/08/619713408.db2.gz YQWZKJMGQASOBD-DUZACMNTSA-N 2 1 300.446 3.201 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903069538 619715085 /nfs/dbraw/zinc/71/50/85/619715085.db2.gz XRKHDYPNEWPKJB-KOQQBVACSA-N 3 1 319.537 3.388 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903069538 619715086 /nfs/dbraw/zinc/71/50/86/619715086.db2.gz XRKHDYPNEWPKJB-KOQQBVACSA-N 3 1 319.537 3.388 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903069538 619715087 /nfs/dbraw/zinc/71/50/87/619715087.db2.gz XRKHDYPNEWPKJB-KOQQBVACSA-N 3 1 319.537 3.388 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903072878 619715400 /nfs/dbraw/zinc/71/54/00/619715400.db2.gz LQOOSXAGMRBBTM-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000903099491 619716527 /nfs/dbraw/zinc/71/65/27/619716527.db2.gz ITWODTUORZRZFE-LJIGWXMPSA-N 2 1 308.491 3.288 20 0 DGADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000903099491 619716529 /nfs/dbraw/zinc/71/65/29/619716529.db2.gz ITWODTUORZRZFE-LJIGWXMPSA-N 2 1 308.491 3.288 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Oc1ccccc1F ZINC000903103096 619717089 /nfs/dbraw/zinc/71/70/89/619717089.db2.gz DRSRKIYASTZVMQ-ZBSSRIJBSA-N 2 1 318.436 3.340 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(CC2CCC2)c1 ZINC000903107416 619717934 /nfs/dbraw/zinc/71/79/34/619717934.db2.gz UCYHKSGSYJAIAW-BMGDILEWSA-N 2 1 304.482 3.207 20 0 DGADMP CCN(C)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903092492 619718827 /nfs/dbraw/zinc/71/88/27/619718827.db2.gz KPMHNEKKTIIOMP-JLYLLQBASA-N 2 1 313.489 3.390 20 0 DGADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151679 619729617 /nfs/dbraw/zinc/72/96/17/619729617.db2.gz HOVHDQBXICDDPG-ROUSISIUSA-N 2 1 306.494 3.328 20 0 DGADMP CO[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903178947 619730974 /nfs/dbraw/zinc/73/09/74/619730974.db2.gz KJJXGJCLHKRQGT-ZNBHLAFESA-N 2 1 314.473 3.296 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3ncccc3c2)[C@@H]2CCC[C@@H]21 ZINC000903191847 619733026 /nfs/dbraw/zinc/73/30/26/619733026.db2.gz BWVBCAGVFYBJHF-IHPCNDPISA-N 2 1 309.457 3.240 20 0 DGADMP Cn1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc21 ZINC000903199969 619735325 /nfs/dbraw/zinc/73/53/25/619735325.db2.gz IVXGGUMGJSWELK-JLYLLQBASA-N 2 1 323.484 3.468 20 0 DGADMP CCC(O)(CC)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903201633 619735986 /nfs/dbraw/zinc/73/59/86/619735986.db2.gz YTXRQYHGBYADGG-ZXFUBFMLSA-N 2 1 308.510 3.311 20 0 DGADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903380701 619768710 /nfs/dbraw/zinc/76/87/10/619768710.db2.gz OIDDEXBUDXKRFL-GXTWGEPZSA-N 2 1 303.372 3.395 20 0 DGADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903380703 619768767 /nfs/dbraw/zinc/76/87/67/619768767.db2.gz OIDDEXBUDXKRFL-OCCSQVGLSA-N 2 1 303.372 3.395 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000903408261 619771658 /nfs/dbraw/zinc/77/16/58/619771658.db2.gz RPUYQJFMHQLFMJ-MHJFOBGBSA-N 2 1 316.489 3.180 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc3ccccc32)CCCO1 ZINC000903458806 619776785 /nfs/dbraw/zinc/77/67/85/619776785.db2.gz KEIURRCNRYKVKE-MRXNPFEDSA-N 2 1 304.821 3.043 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3ccccc32)CCCO1 ZINC000903458806 619776788 /nfs/dbraw/zinc/77/67/88/619776788.db2.gz KEIURRCNRYKVKE-MRXNPFEDSA-N 2 1 304.821 3.043 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc3ccccc32)CCCO1 ZINC000903458805 619776844 /nfs/dbraw/zinc/77/68/44/619776844.db2.gz KEIURRCNRYKVKE-INIZCTEOSA-N 2 1 304.821 3.043 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc3ccccc32)CCCO1 ZINC000903458805 619776850 /nfs/dbraw/zinc/77/68/50/619776850.db2.gz KEIURRCNRYKVKE-INIZCTEOSA-N 2 1 304.821 3.043 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)O2)cc1 ZINC000903482012 619780716 /nfs/dbraw/zinc/78/07/16/619780716.db2.gz ULEIEPZXMPSSNF-SQNIBIBYSA-N 2 1 300.446 3.171 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903499300 619781539 /nfs/dbraw/zinc/78/15/39/619781539.db2.gz QQKNZGKBYMEIIW-OQIJWPOYSA-N 2 1 302.462 3.214 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1CC[NH3+] ZINC000903496807 619782536 /nfs/dbraw/zinc/78/25/36/619782536.db2.gz FNKHMTYNCKPTGN-UKRRQHHQSA-N 2 1 301.459 3.227 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2COC(C)(C)C)cc1 ZINC000903565580 619783598 /nfs/dbraw/zinc/78/35/98/619783598.db2.gz MSCDNHZGFNBFMG-SJORKVTESA-N 2 1 320.477 3.017 20 0 DGADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1)C1CC[NH2+]CC1 ZINC000903565575 619783701 /nfs/dbraw/zinc/78/37/01/619783701.db2.gz MQDNDOYMEHIGHA-HNNXBMFYSA-N 2 1 319.518 3.201 20 0 DGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722459 619803611 /nfs/dbraw/zinc/80/36/11/619803611.db2.gz BCXSRUQICLUVBS-RBUKOAKNSA-N 2 1 314.473 3.291 20 0 DGADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723576 619804099 /nfs/dbraw/zinc/80/40/99/619804099.db2.gz IRDLLLPUZLUFNZ-ZWKOTPCHSA-N 2 1 318.436 3.121 20 0 DGADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000903724143 619804170 /nfs/dbraw/zinc/80/41/70/619804170.db2.gz LJLYDHZUGDSZAO-CVEARBPZSA-N 2 1 306.475 3.044 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722860 619804193 /nfs/dbraw/zinc/80/41/93/619804193.db2.gz DWAFHIQRJIBPOD-RHSMWYFYSA-N 2 1 322.880 3.492 20 0 DGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723258 619804487 /nfs/dbraw/zinc/80/44/87/619804487.db2.gz GOAGLZIOJBYBSL-QGZVFWFLSA-N 2 1 320.452 3.195 20 0 DGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726233 619804719 /nfs/dbraw/zinc/80/47/19/619804719.db2.gz LCINJLLHBDYDMD-CTNGQTDRSA-N 2 1 324.468 3.083 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1C ZINC000903734598 619807910 /nfs/dbraw/zinc/80/79/10/619807910.db2.gz SLJBDVTWVYEJQT-YSIASYRMSA-N 2 1 314.473 3.209 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CCCC[NH2+]C1)CCC2 ZINC000903755296 619810497 /nfs/dbraw/zinc/81/04/97/619810497.db2.gz FBOIYUXGIOPNQU-DZGCQCFKSA-N 2 1 307.507 3.404 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CCCC[NH2+]C1)CCC2 ZINC000903755299 619810521 /nfs/dbraw/zinc/81/05/21/619810521.db2.gz FBOIYUXGIOPNQU-ZFWWWQNUSA-N 2 1 307.507 3.404 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)[nH]n1 ZINC000903781062 619812866 /nfs/dbraw/zinc/81/28/66/619812866.db2.gz NGBRRVLGGGZFIQ-CVEARBPZSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781062 619812867 /nfs/dbraw/zinc/81/28/67/619812867.db2.gz NGBRRVLGGGZFIQ-CVEARBPZSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n[nH]1 ZINC000903781062 619812869 /nfs/dbraw/zinc/81/28/69/619812869.db2.gz NGBRRVLGGGZFIQ-CVEARBPZSA-N 2 1 304.482 3.102 20 0 DGADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903784193 619813336 /nfs/dbraw/zinc/81/33/36/619813336.db2.gz KYYBLQGJAUDBNU-RTBURBONSA-N 2 1 314.473 3.156 20 0 DGADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903783723 619813553 /nfs/dbraw/zinc/81/35/53/619813553.db2.gz BAZJKBPEJMPTAK-BXWFABGCSA-N 2 1 312.457 3.079 20 0 DGADMP Cn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810534 619817683 /nfs/dbraw/zinc/81/76/83/619817683.db2.gz DIHJOWXGHAQLCD-QGZVFWFLSA-N 2 1 312.461 3.057 20 0 DGADMP Cn1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810534 619817684 /nfs/dbraw/zinc/81/76/84/619817684.db2.gz DIHJOWXGHAQLCD-QGZVFWFLSA-N 2 1 312.461 3.057 20 0 DGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(c2ccccc2)C1 ZINC000903895589 619830152 /nfs/dbraw/zinc/83/01/52/619830152.db2.gz OPKNLDJNKPTCRG-DLZDZTESSA-N 2 1 313.489 3.118 20 0 DGADMP C[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000903924942 619834896 /nfs/dbraw/zinc/83/48/96/619834896.db2.gz AAYKTLJPPAQDOY-SKDRFNHKSA-N 2 1 310.310 3.381 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)CC[NH2+]C1 ZINC000903939078 619837892 /nfs/dbraw/zinc/83/78/92/619837892.db2.gz CPEWTYAKMPRPKB-FXAWDEMLSA-N 2 1 324.472 3.256 20 0 DGADMP F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903947662 619843584 /nfs/dbraw/zinc/84/35/84/619843584.db2.gz DOZWDSPSTMDCOT-PMACEKPBSA-N 2 1 310.416 3.448 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000903954577 619846593 /nfs/dbraw/zinc/84/65/93/619846593.db2.gz FSYKOIBONPDHAY-JTQLQIEISA-N 2 1 309.187 3.328 20 0 DGADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973003 619847332 /nfs/dbraw/zinc/84/73/32/619847332.db2.gz NAZGRKFCJWMTQJ-QYZOEREBSA-N 2 1 314.473 3.071 20 0 DGADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973002 619847572 /nfs/dbraw/zinc/84/75/72/619847572.db2.gz NAZGRKFCJWMTQJ-GBESFXJTSA-N 2 1 314.473 3.071 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H]1CC[NH3+] ZINC000903977043 619847963 /nfs/dbraw/zinc/84/79/63/619847963.db2.gz HOJMXCOEVFUNRO-HUUCEWRRSA-N 2 1 321.896 3.357 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974989 619848207 /nfs/dbraw/zinc/84/82/07/619848207.db2.gz XZOUJJYYUINENH-YOEHRIQHSA-N 2 1 322.880 3.019 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1OC ZINC000903977099 619848553 /nfs/dbraw/zinc/84/85/53/619848553.db2.gz IXNDFXOAWUISRP-BFYDXBDKSA-N 2 1 320.477 3.289 20 0 DGADMP CC(C)C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccn1 ZINC000903987363 619852203 /nfs/dbraw/zinc/85/22/03/619852203.db2.gz DJFQUNQNJOIZLP-UHFFFAOYSA-N 2 1 315.486 3.447 20 0 DGADMP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000904327835 619914000 /nfs/dbraw/zinc/91/40/00/619914000.db2.gz JBQVCNALGZPPEW-BQFCYCMXSA-N 2 1 307.526 3.089 20 0 DGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C2CC2)c(OC)c1 ZINC000904343027 619914683 /nfs/dbraw/zinc/91/46/83/619914683.db2.gz QQNWOIORGAQQJC-CPUCHLNUSA-N 2 1 318.461 3.042 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](CNc3ccc(Cl)cc3)C2)C1 ZINC000904389028 619917655 /nfs/dbraw/zinc/91/76/55/619917655.db2.gz RIFSULRVPFEWIN-OFQRWUPVSA-N 2 1 307.869 3.201 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000904406401 619920026 /nfs/dbraw/zinc/92/00/26/619920026.db2.gz SFGKTNZHNJRHPY-STQMWFEESA-N 2 1 311.267 3.223 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904405550 619920058 /nfs/dbraw/zinc/92/00/58/619920058.db2.gz NPVCIOAZNAREMZ-INIZCTEOSA-N 2 1 310.445 3.020 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000904411894 619920651 /nfs/dbraw/zinc/92/06/51/619920651.db2.gz PPUMMWVWFWOKJE-OCCSQVGLSA-N 2 1 318.852 3.147 20 0 DGADMP C[NH+](C)Cc1cnc(CNc2ccc(C(C)(C)[NH3+])cc2)s1 ZINC000904475489 619924700 /nfs/dbraw/zinc/92/47/00/619924700.db2.gz KJZAFAZKLAPGMU-UHFFFAOYSA-N 2 1 304.463 3.011 20 0 DGADMP CC[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000905147842 619975694 /nfs/dbraw/zinc/97/56/94/619975694.db2.gz SIFLNJVOCJAIQL-OAHLLOKOSA-N 2 1 322.415 3.077 20 0 DGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cc2C[NH+](C)C)C1 ZINC000906694787 620114949 /nfs/dbraw/zinc/11/49/49/620114949.db2.gz HOHYTUWAMOWXNJ-INIZCTEOSA-N 2 1 317.477 3.117 20 0 DGADMP CC(C)c1ccc(C[N@@H+](C[C@@H](O)CN2CCCC2)C2CC2)cc1 ZINC000908497908 620207611 /nfs/dbraw/zinc/20/76/11/620207611.db2.gz YUHFCCGNBXJJGU-FQEVSTJZSA-N 2 1 316.489 3.231 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCCO2 ZINC000153013315 620531086 /nfs/dbraw/zinc/53/10/86/620531086.db2.gz FRGKXBSWXLJPSV-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000914435794 620534821 /nfs/dbraw/zinc/53/48/21/620534821.db2.gz KJEQYLNCCSFEAU-XCLNPWKQSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000914435794 620534823 /nfs/dbraw/zinc/53/48/23/620534823.db2.gz KJEQYLNCCSFEAU-XCLNPWKQSA-N 2 1 314.473 3.054 20 0 DGADMP c1ccc(N2CCCCC2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000915228696 620575096 /nfs/dbraw/zinc/57/50/96/620575096.db2.gz TUSWDOXGSLIYEJ-KRWDZBQOSA-N 2 1 313.489 3.251 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000921531010 620903644 /nfs/dbraw/zinc/90/36/44/620903644.db2.gz AUGRQFXUYUFZHA-AKHDSKFASA-N 2 1 308.510 3.293 20 0 DGADMP CS[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000921759283 620945731 /nfs/dbraw/zinc/94/57/31/620945731.db2.gz IUVFBIPVVLPPDJ-VVLHAWIVSA-N 2 1 314.539 3.140 20 0 DGADMP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)c2o1 ZINC000921814837 620953922 /nfs/dbraw/zinc/95/39/22/620953922.db2.gz CKWCDFCVTDMBJX-UHFFFAOYSA-N 2 1 315.417 3.030 20 0 DGADMP CSCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000922063560 620984600 /nfs/dbraw/zinc/98/46/00/620984600.db2.gz HLYQOPPICRXGRX-INIZCTEOSA-N 2 1 322.518 3.140 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC(C)C)C2)ccn1 ZINC000856550352 621004133 /nfs/dbraw/zinc/00/41/33/621004133.db2.gz CCLZECCZMHOYCS-LJQANCHMSA-N 2 1 319.493 3.423 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC(C)C)C2)ccn1 ZINC000856550352 621004135 /nfs/dbraw/zinc/00/41/35/621004135.db2.gz CCLZECCZMHOYCS-LJQANCHMSA-N 2 1 319.493 3.423 20 0 DGADMP CC(C)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561642 621005551 /nfs/dbraw/zinc/00/55/51/621005551.db2.gz WLQIUHZGDPBMOE-IBGZPJMESA-N 2 1 319.493 3.421 20 0 DGADMP CC(C)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561642 621005554 /nfs/dbraw/zinc/00/55/54/621005554.db2.gz WLQIUHZGDPBMOE-IBGZPJMESA-N 2 1 319.493 3.421 20 0 DGADMP CC(C)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856561642 621005557 /nfs/dbraw/zinc/00/55/57/621005557.db2.gz WLQIUHZGDPBMOE-IBGZPJMESA-N 2 1 319.493 3.421 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3CCC3)C2)ccn1 ZINC000856583944 621005757 /nfs/dbraw/zinc/00/57/57/621005757.db2.gz UXGPGHPZAVCJBP-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CCC3)C2)ccn1 ZINC000856583944 621005759 /nfs/dbraw/zinc/00/57/59/621005759.db2.gz UXGPGHPZAVCJBP-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3CCC3)C2)ccn1 ZINC000856583944 621005762 /nfs/dbraw/zinc/00/57/62/621005762.db2.gz UXGPGHPZAVCJBP-LJQANCHMSA-N 2 1 317.477 3.177 20 0 DGADMP Cc1c(Cl)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)nn1C ZINC000922504527 621048033 /nfs/dbraw/zinc/04/80/33/621048033.db2.gz OASOBLWUYJXDER-UHFFFAOYSA-N 2 1 324.900 3.269 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922774446 621096442 /nfs/dbraw/zinc/09/64/42/621096442.db2.gz APVKMMYCRLHMGK-NVXWUHKLSA-N 2 1 317.383 3.286 20 0 DGADMP FC1(F)[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000922773655 621098669 /nfs/dbraw/zinc/09/86/69/621098669.db2.gz YWTJQVQQKRONKR-NCOADZHNSA-N 2 1 306.400 3.252 20 0 DGADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1cc2ccccc2o1 ZINC000923309326 621175295 /nfs/dbraw/zinc/17/52/95/621175295.db2.gz UMDDFNZPZGFJLW-GOEBONIOSA-N 2 1 314.429 3.194 20 0 DGADMP CC(C)c1nc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312017 621175539 /nfs/dbraw/zinc/17/55/39/621175539.db2.gz GIIAAKLVLZOJSI-UYTSQGDYSA-N 2 1 318.465 3.251 20 0 DGADMP CC(C)c1nc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312017 621175542 /nfs/dbraw/zinc/17/55/42/621175542.db2.gz GIIAAKLVLZOJSI-UYTSQGDYSA-N 2 1 318.465 3.251 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)co1 ZINC000923390237 621180693 /nfs/dbraw/zinc/18/06/93/621180693.db2.gz UUTUKBWNEWUENB-OAHLLOKOSA-N 2 1 305.466 3.184 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000923401475 621181691 /nfs/dbraw/zinc/18/16/91/621181691.db2.gz NNXOVGSCHGSQHD-KGLIPLIRSA-N 2 1 304.400 3.416 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000923487872 621186878 /nfs/dbraw/zinc/18/68/78/621186878.db2.gz ILNHPLJTALYOMV-LLVKDONJSA-N 2 1 303.233 3.043 20 0 DGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(CO)c2)[C@@H]1c1cccs1 ZINC000858422862 621188427 /nfs/dbraw/zinc/18/84/27/621188427.db2.gz QYEYZVZCYGNQQR-SUMWQHHRSA-N 2 1 317.458 3.130 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1C[NH3+] ZINC000923502449 621188872 /nfs/dbraw/zinc/18/88/72/621188872.db2.gz ZCYWZQOOXYDPQV-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC000923500472 621189164 /nfs/dbraw/zinc/18/91/64/621189164.db2.gz RFTIITYKQWQCMW-WDEREUQCSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1C[NH3+] ZINC000923499804 621189261 /nfs/dbraw/zinc/18/92/61/621189261.db2.gz UFYKZEVUZJOCBR-ZFWWWQNUSA-N 2 1 301.459 3.227 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000923504650 621189648 /nfs/dbraw/zinc/18/96/48/621189648.db2.gz SCWGWWSCGGPOOK-PBHICJAKSA-N 2 1 302.462 3.231 20 0 DGADMP Clc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923504763 621189802 /nfs/dbraw/zinc/18/98/02/621189802.db2.gz DPJGNSAAIUXZBU-GFCCVEGCSA-N 2 1 313.898 3.398 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000923518859 621191115 /nfs/dbraw/zinc/19/11/15/621191115.db2.gz FEKKKLYHNZNNAF-LSDHHAIUSA-N 2 1 308.853 3.169 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000923518859 621191116 /nfs/dbraw/zinc/19/11/16/621191116.db2.gz FEKKKLYHNZNNAF-LSDHHAIUSA-N 2 1 308.853 3.169 20 0 DGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517222 621191130 /nfs/dbraw/zinc/19/11/30/621191130.db2.gz BTSANYCVIGQCJB-FPMFFAJLSA-N 2 1 314.351 3.188 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000858490336 621197711 /nfs/dbraw/zinc/19/77/11/621197711.db2.gz GOWBPTMURPEXSY-HZPDHXFCSA-N 2 1 320.477 3.224 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)C(C)(C)C)C2)CC1 ZINC000753709206 621461027 /nfs/dbraw/zinc/46/10/27/621461027.db2.gz HYAMNNLOBJSQHM-QGZVFWFLSA-N 2 1 308.510 3.436 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)C(C)(C)C)C2)CC1 ZINC000753709206 621461028 /nfs/dbraw/zinc/46/10/28/621461028.db2.gz HYAMNNLOBJSQHM-QGZVFWFLSA-N 2 1 308.510 3.436 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000755038767 621548456 /nfs/dbraw/zinc/54/84/56/621548456.db2.gz BYMFZJJLODANRM-RBUKOAKNSA-N 2 1 304.478 3.306 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000755038767 621548457 /nfs/dbraw/zinc/54/84/57/621548457.db2.gz BYMFZJJLODANRM-RBUKOAKNSA-N 2 1 304.478 3.306 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](CCOC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000863551226 621682965 /nfs/dbraw/zinc/68/29/65/621682965.db2.gz DVXVQDYENOHLBE-DZGCQCFKSA-N 2 1 322.415 3.185 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000863551226 621682967 /nfs/dbraw/zinc/68/29/67/621682967.db2.gz DVXVQDYENOHLBE-DZGCQCFKSA-N 2 1 322.415 3.185 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCOC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000863551228 621683202 /nfs/dbraw/zinc/68/32/02/621683202.db2.gz DVXVQDYENOHLBE-HIFRSBDPSA-N 2 1 322.415 3.185 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000863551228 621683204 /nfs/dbraw/zinc/68/32/04/621683204.db2.gz DVXVQDYENOHLBE-HIFRSBDPSA-N 2 1 322.415 3.185 20 0 DGADMP CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000759339091 621846924 /nfs/dbraw/zinc/84/69/24/621846924.db2.gz UHLGAZAVIDCXAQ-WOJBJXKFSA-N 2 1 316.489 3.404 20 0 DGADMP CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000759339091 621846928 /nfs/dbraw/zinc/84/69/28/621846928.db2.gz UHLGAZAVIDCXAQ-WOJBJXKFSA-N 2 1 316.489 3.404 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000759782878 621889302 /nfs/dbraw/zinc/88/93/02/621889302.db2.gz LYWRHUWDXRNWGF-KRWDZBQOSA-N 2 1 319.424 3.030 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000759782878 621889303 /nfs/dbraw/zinc/88/93/03/621889303.db2.gz LYWRHUWDXRNWGF-KRWDZBQOSA-N 2 1 319.424 3.030 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc2c(F)cccc2c1)C[NH+]1CCCC1 ZINC000865417878 621915645 /nfs/dbraw/zinc/91/56/45/621915645.db2.gz DQONYSGLQAIIEF-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865435079 621920021 /nfs/dbraw/zinc/92/00/21/621920021.db2.gz BQALIGZQGOECIH-CQSZACIVSA-N 2 1 301.409 3.194 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865435079 621920024 /nfs/dbraw/zinc/92/00/24/621920024.db2.gz BQALIGZQGOECIH-CQSZACIVSA-N 2 1 301.409 3.194 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000865449102 621924155 /nfs/dbraw/zinc/92/41/55/621924155.db2.gz PSSYYULOTHHURD-CYBMUJFWSA-N 2 1 305.397 3.155 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cnc1Cl ZINC000865635826 621967961 /nfs/dbraw/zinc/96/79/61/621967961.db2.gz HNXSSSFWGHUSQI-CYBMUJFWSA-N 2 1 311.832 3.086 20 0 DGADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cnc1Cl ZINC000865635826 621967963 /nfs/dbraw/zinc/96/79/63/621967963.db2.gz HNXSSSFWGHUSQI-CYBMUJFWSA-N 2 1 311.832 3.086 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660166 621972999 /nfs/dbraw/zinc/97/29/99/621972999.db2.gz JMHIOJQXFPKXJV-CRAIPNDOSA-N 2 1 313.420 3.078 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnc(F)c1 ZINC000865660166 621973001 /nfs/dbraw/zinc/97/30/01/621973001.db2.gz JMHIOJQXFPKXJV-CRAIPNDOSA-N 2 1 313.420 3.078 20 0 DGADMP Cc1cc(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000866017004 622033183 /nfs/dbraw/zinc/03/31/83/622033183.db2.gz BMFXEMSNYWAOMS-UHFFFAOYSA-N 2 1 322.456 3.077 20 0 DGADMP C[NH+](C)CC(C)(C)CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762474937 622077977 /nfs/dbraw/zinc/07/79/77/622077977.db2.gz FYMGPFKBMALDGE-SFHVURJKSA-N 2 1 317.521 3.217 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000762474937 622077980 /nfs/dbraw/zinc/07/79/80/622077980.db2.gz FYMGPFKBMALDGE-SFHVURJKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000866535695 622134346 /nfs/dbraw/zinc/13/43/46/622134346.db2.gz WKZFRBGVYCYGNF-LXTVHRRPSA-N 2 1 304.400 3.451 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559927 622137715 /nfs/dbraw/zinc/13/77/15/622137715.db2.gz JALVGVNGSFJXKD-QFBILLFUSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000866559927 622137718 /nfs/dbraw/zinc/13/77/18/622137718.db2.gz JALVGVNGSFJXKD-QFBILLFUSA-N 3 1 307.526 3.103 20 0 DGADMP C[C@H]1C[C@H](NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000866557063 622137893 /nfs/dbraw/zinc/13/78/93/622137893.db2.gz HHNWLPMQHRKSDS-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000866557063 622137894 /nfs/dbraw/zinc/13/78/94/622137894.db2.gz HHNWLPMQHRKSDS-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H](NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000866557063 622137895 /nfs/dbraw/zinc/13/78/95/622137895.db2.gz HHNWLPMQHRKSDS-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000866557063 622137896 /nfs/dbraw/zinc/13/78/96/622137896.db2.gz HHNWLPMQHRKSDS-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000866557063 622137897 /nfs/dbraw/zinc/13/78/97/622137897.db2.gz HHNWLPMQHRKSDS-DFQSSKMNSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590682 622142962 /nfs/dbraw/zinc/14/29/62/622142962.db2.gz TUDYVZWPDLBJDI-HNNXBMFYSA-N 2 1 321.896 3.113 20 0 DGADMP COC(=O)/C(C)=C\C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000763435092 622145607 /nfs/dbraw/zinc/14/56/07/622145607.db2.gz YWUMQFJPSFSOCP-BOVGMKJQSA-N 2 1 322.493 3.082 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC1 ZINC000866641725 622152319 /nfs/dbraw/zinc/15/23/19/622152319.db2.gz XOWMUYVQNNCURX-UHFFFAOYSA-N 2 1 317.477 3.019 20 0 DGADMP Clc1cncc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000866666329 622154204 /nfs/dbraw/zinc/15/42/04/622154204.db2.gz QQTWOXIIXDGDEO-HNNXBMFYSA-N 2 1 314.260 3.352 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000866707587 622158944 /nfs/dbraw/zinc/15/89/44/622158944.db2.gz VAUQLYBVYMKXLF-LJQANCHMSA-N 3 1 312.461 3.069 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000866717872 622159568 /nfs/dbraw/zinc/15/95/68/622159568.db2.gz SAYQWWSQFWMXOA-SFHVURJKSA-N 2 1 323.440 3.351 20 0 DGADMP Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000866721828 622159575 /nfs/dbraw/zinc/15/95/75/622159575.db2.gz ZJMKEDLJQZCGSS-HXUWFJFHSA-N 2 1 307.441 3.373 20 0 DGADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000866717492 622159828 /nfs/dbraw/zinc/15/98/28/622159828.db2.gz GQZQOHVVURYOLY-UHFFFAOYSA-N 2 1 305.425 3.446 20 0 DGADMP CC[C@@H](C[NH2+][C@@H](C)CCc1ccc(OC)cc1)[NH+]1CCCC1 ZINC000764869905 622228266 /nfs/dbraw/zinc/22/82/66/622228266.db2.gz ODUKQNACBCJMHY-WMZOPIPTSA-N 2 1 304.478 3.480 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000765480539 622267549 /nfs/dbraw/zinc/26/75/49/622267549.db2.gz HKXLASFVYHQSGP-UHFFFAOYSA-N 2 1 308.385 3.351 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000765757363 622285241 /nfs/dbraw/zinc/28/52/41/622285241.db2.gz DDVMEHBKKKNODF-HOTGVXAUSA-N 2 1 323.444 3.364 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000765797047 622287935 /nfs/dbraw/zinc/28/79/35/622287935.db2.gz MIYFMHFMHVZCAH-ZCNNSNEGSA-N 2 1 316.489 3.015 20 0 DGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000765797047 622287936 /nfs/dbraw/zinc/28/79/36/622287936.db2.gz MIYFMHFMHVZCAH-ZCNNSNEGSA-N 2 1 316.489 3.015 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000765878814 622292753 /nfs/dbraw/zinc/29/27/53/622292753.db2.gz ZZYRNFVTPHDPDM-NVXWUHKLSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000765878814 622292756 /nfs/dbraw/zinc/29/27/56/622292756.db2.gz ZZYRNFVTPHDPDM-NVXWUHKLSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1cc(C)c(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000869522390 622369362 /nfs/dbraw/zinc/36/93/62/622369362.db2.gz GXYYZOKISBAUQU-GOSISDBHSA-N 2 1 322.424 3.263 20 0 DGADMP Cc1cc(C)c(COC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000869522390 622369365 /nfs/dbraw/zinc/36/93/65/622369365.db2.gz GXYYZOKISBAUQU-GOSISDBHSA-N 2 1 322.424 3.263 20 0 DGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769482436 622532263 /nfs/dbraw/zinc/53/22/63/622532263.db2.gz BRHLQRVUPDOCAM-IBGZPJMESA-N 2 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000769482436 622532264 /nfs/dbraw/zinc/53/22/64/622532264.db2.gz BRHLQRVUPDOCAM-IBGZPJMESA-N 3 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000769482436 622532267 /nfs/dbraw/zinc/53/22/67/622532267.db2.gz BRHLQRVUPDOCAM-IBGZPJMESA-N 3 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000769482436 622532269 /nfs/dbraw/zinc/53/22/69/622532269.db2.gz BRHLQRVUPDOCAM-IBGZPJMESA-N 3 1 303.494 3.054 20 0 DGADMP C[NH+](C)Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000769482436 622532271 /nfs/dbraw/zinc/53/22/71/622532271.db2.gz BRHLQRVUPDOCAM-IBGZPJMESA-N 3 1 303.494 3.054 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769971049 622583772 /nfs/dbraw/zinc/58/37/72/622583772.db2.gz XDCCYWGAGYQYLC-LMMKCTJWSA-N 2 1 314.473 3.134 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000769971049 622583774 /nfs/dbraw/zinc/58/37/74/622583774.db2.gz XDCCYWGAGYQYLC-LMMKCTJWSA-N 2 1 314.473 3.134 20 0 DGADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000871784981 622697325 /nfs/dbraw/zinc/69/73/25/622697325.db2.gz NCWRIDMRIJSZCF-ALOPSCKCSA-N 2 1 301.434 3.175 20 0 DGADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000871784981 622697329 /nfs/dbraw/zinc/69/73/29/622697329.db2.gz NCWRIDMRIJSZCF-ALOPSCKCSA-N 2 1 301.434 3.175 20 0 DGADMP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000872033679 622764789 /nfs/dbraw/zinc/76/47/89/622764789.db2.gz DNIATCIRPPANJC-IEBWSBKVSA-N 2 1 322.468 3.093 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586016 622778057 /nfs/dbraw/zinc/77/80/57/622778057.db2.gz JCRODRXTZSPADQ-XYPHTWIQSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586016 622778062 /nfs/dbraw/zinc/77/80/62/622778062.db2.gz JCRODRXTZSPADQ-XYPHTWIQSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586016 622778065 /nfs/dbraw/zinc/77/80/65/622778065.db2.gz JCRODRXTZSPADQ-XYPHTWIQSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)C[C@H]1C ZINC000771586016 622778067 /nfs/dbraw/zinc/77/80/67/622778067.db2.gz JCRODRXTZSPADQ-XYPHTWIQSA-N 2 1 310.869 3.178 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000872088331 622798297 /nfs/dbraw/zinc/79/82/97/622798297.db2.gz QBSBMKGMHSXJRV-KURKYZTESA-N 2 1 308.510 3.292 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1C(F)(F)F ZINC000872149172 622833355 /nfs/dbraw/zinc/83/33/55/622833355.db2.gz MNYONAGWACRUTR-IUPBHXKESA-N 2 1 318.770 3.396 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1C(F)(F)F ZINC000872149172 622833358 /nfs/dbraw/zinc/83/33/58/622833358.db2.gz MNYONAGWACRUTR-IUPBHXKESA-N 2 1 318.770 3.396 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872151337 622834996 /nfs/dbraw/zinc/83/49/96/622834996.db2.gz VGLMFGSYUQGCQW-UKRRQHHQSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872151337 622835002 /nfs/dbraw/zinc/83/50/02/622835002.db2.gz VGLMFGSYUQGCQW-UKRRQHHQSA-N 2 1 316.367 3.043 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1ncc(-c2ccc(F)cc2)o1 ZINC000872154824 622835097 /nfs/dbraw/zinc/83/50/97/622835097.db2.gz BTMZXBDVJMVKJZ-UHFFFAOYSA-N 2 1 305.397 3.432 20 0 DGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872155223 622835283 /nfs/dbraw/zinc/83/52/83/622835283.db2.gz OIURVADNFKMWLL-CYBMUJFWSA-N 2 1 311.857 3.118 20 0 DGADMP Cn1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156107 622836084 /nfs/dbraw/zinc/83/60/84/622836084.db2.gz DWFRVDXESSRKAB-CJNGLKHVSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156107 622836089 /nfs/dbraw/zinc/83/60/89/622836089.db2.gz DWFRVDXESSRKAB-CJNGLKHVSA-N 2 1 324.900 3.193 20 0 DGADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000872155662 622836734 /nfs/dbraw/zinc/83/67/34/622836734.db2.gz YBJJFZUJUQGBLW-CABCVRRESA-N 2 1 318.461 3.013 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156097 622836866 /nfs/dbraw/zinc/83/68/66/622836866.db2.gz DRWAGNNRBNHJTM-WMZOPIPTSA-N 2 1 324.509 3.339 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156270 622837062 /nfs/dbraw/zinc/83/70/62/622837062.db2.gz HELWEADPBNXEDC-QFBILLFUSA-N 2 1 301.478 3.388 20 0 DGADMP COC(=O)c1cc2cc(C[N@@H+](C)CCCCCC[NH3+])ccc2o1 ZINC000872155327 622837217 /nfs/dbraw/zinc/83/72/17/622837217.db2.gz IHOSSWUQKSMMOX-UHFFFAOYSA-N 2 1 318.417 3.170 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000872155624 622837472 /nfs/dbraw/zinc/83/74/72/622837472.db2.gz WWKAKOXBDDDHOG-UHFFFAOYSA-N 2 1 312.841 3.062 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCc2cccnc2)C1)C1CCCC1 ZINC000872158269 622840886 /nfs/dbraw/zinc/84/08/86/622840886.db2.gz UOQFAXFAPDMVGV-MJGOQNOKSA-N 2 1 301.478 3.244 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000872251772 622867389 /nfs/dbraw/zinc/86/73/89/622867389.db2.gz MOYCLIVDEADDKA-MOPGFXCFSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872251772 622867395 /nfs/dbraw/zinc/86/73/95/622867395.db2.gz MOYCLIVDEADDKA-MOPGFXCFSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H](C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2)c1nccs1 ZINC000873209758 623075504 /nfs/dbraw/zinc/07/55/04/623075504.db2.gz PZGRYNCFZCBAAW-NSHDSACASA-N 2 1 307.488 3.086 20 0 DGADMP c1c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000873208647 623076329 /nfs/dbraw/zinc/07/63/29/623076329.db2.gz ZOPWMMUVQUZWLF-GDBMZVCRSA-N 2 1 308.516 3.254 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)ccc1OC ZINC000873222827 623080237 /nfs/dbraw/zinc/08/02/37/623080237.db2.gz COCMEUQFOGFWTL-LJQANCHMSA-N 2 1 320.477 3.291 20 0 DGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000873222904 623080685 /nfs/dbraw/zinc/08/06/85/623080685.db2.gz DLGLJBORBRUDBP-KXBFYZLASA-N 2 1 302.462 3.250 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc2cccnc12 ZINC000873228097 623082381 /nfs/dbraw/zinc/08/23/81/623082381.db2.gz PNKSOZVRXIWMJE-HUUCEWRRSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc2cccnc12 ZINC000873228097 623082385 /nfs/dbraw/zinc/08/23/85/623082385.db2.gz PNKSOZVRXIWMJE-HUUCEWRRSA-N 2 1 323.362 3.112 20 0 DGADMP CCCn1c2ccccc2nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231304 623083863 /nfs/dbraw/zinc/08/38/63/623083863.db2.gz DSENUJJFNCWONG-UHFFFAOYSA-N 2 1 302.466 3.397 20 0 DGADMP CCCc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000775304364 623251599 /nfs/dbraw/zinc/25/15/99/623251599.db2.gz BYVNNDPPCAPHAL-FQEVSTJZSA-N 2 1 316.489 3.372 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000776026707 623366427 /nfs/dbraw/zinc/36/64/27/623366427.db2.gz ULPDQFQCVUJAGT-QCSYZSNVSA-N 2 1 322.880 3.083 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H](O)c1ccc(C)cc1 ZINC000125537127 623480062 /nfs/dbraw/zinc/48/00/62/623480062.db2.gz YWBVKGHJNBWKKP-LJQANCHMSA-N 2 1 315.461 3.336 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H](O)c1ccc(C)cc1 ZINC000125537127 623480065 /nfs/dbraw/zinc/48/00/65/623480065.db2.gz YWBVKGHJNBWKKP-LJQANCHMSA-N 2 1 315.461 3.336 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000876946916 623751499 /nfs/dbraw/zinc/75/14/99/623751499.db2.gz SBKHBVSHBJCAIV-UHFFFAOYSA-N 2 1 304.781 3.166 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000876964715 623756701 /nfs/dbraw/zinc/75/67/01/623756701.db2.gz NZEVDWVOFPDJRU-CMBDLQSPSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000876964715 623756706 /nfs/dbraw/zinc/75/67/06/623756706.db2.gz NZEVDWVOFPDJRU-CMBDLQSPSA-N 2 1 318.442 3.419 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000876988000 623760598 /nfs/dbraw/zinc/76/05/98/623760598.db2.gz PRQVFJAAXDUISC-MJGOQNOKSA-N 2 1 304.478 3.303 20 0 DGADMP COCC[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000877664134 623983193 /nfs/dbraw/zinc/98/31/93/623983193.db2.gz IADQNPCRRBMTJE-WOJBJXKFSA-N 2 1 316.489 3.080 20 0 DGADMP COCC[N@H+](Cc1sccc1Cl)CC1CC[NH+](C)CC1 ZINC000877664409 623984140 /nfs/dbraw/zinc/98/41/40/623984140.db2.gz OFSPJLPBRXREJI-UHFFFAOYSA-N 2 1 316.898 3.192 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737446 624010622 /nfs/dbraw/zinc/01/06/22/624010622.db2.gz GFJJGJPCOPMQQF-JKSUJKDBSA-N 2 1 312.379 3.317 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737446 624010625 /nfs/dbraw/zinc/01/06/25/624010625.db2.gz GFJJGJPCOPMQQF-JKSUJKDBSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737446 624010628 /nfs/dbraw/zinc/01/06/28/624010628.db2.gz GFJJGJPCOPMQQF-JKSUJKDBSA-N 2 1 312.379 3.317 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000877737446 624010631 /nfs/dbraw/zinc/01/06/31/624010631.db2.gz GFJJGJPCOPMQQF-JKSUJKDBSA-N 2 1 312.379 3.317 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1F ZINC000877741378 624013651 /nfs/dbraw/zinc/01/36/51/624013651.db2.gz MWJMWWKAXVQPMR-ZVZYQTTQSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1F ZINC000877741378 624013657 /nfs/dbraw/zinc/01/36/57/624013657.db2.gz MWJMWWKAXVQPMR-ZVZYQTTQSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1F ZINC000877741378 624013660 /nfs/dbraw/zinc/01/36/60/624013660.db2.gz MWJMWWKAXVQPMR-ZVZYQTTQSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1F ZINC000877741370 624014309 /nfs/dbraw/zinc/01/43/09/624014309.db2.gz MWJMWWKAXVQPMR-QILLFSRXSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1F ZINC000877741370 624014311 /nfs/dbraw/zinc/01/43/11/624014311.db2.gz MWJMWWKAXVQPMR-QILLFSRXSA-N 2 1 320.452 3.039 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1F ZINC000877741370 624014312 /nfs/dbraw/zinc/01/43/12/624014312.db2.gz MWJMWWKAXVQPMR-QILLFSRXSA-N 2 1 320.452 3.039 20 0 DGADMP CC(C)C[N@H+](Cc1cnn(C(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC000877767434 624028566 /nfs/dbraw/zinc/02/85/66/624028566.db2.gz IVKCVZFYCOCUGC-UHFFFAOYSA-N 2 1 320.525 3.438 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877778112 624033632 /nfs/dbraw/zinc/03/36/32/624033632.db2.gz KDWOSCVVHHBMKU-MMTROXRISA-N 2 1 316.489 3.494 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877778112 624033634 /nfs/dbraw/zinc/03/36/34/624033634.db2.gz KDWOSCVVHHBMKU-MMTROXRISA-N 2 1 316.489 3.494 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000877974999 624119931 /nfs/dbraw/zinc/11/99/31/624119931.db2.gz ARFCUABQTDAXBE-QYZOEREBSA-N 2 1 308.510 3.388 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000878286721 624235861 /nfs/dbraw/zinc/23/58/61/624235861.db2.gz RVKCPMXVVLMOLB-NXHRZFHOSA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)O1 ZINC000878286721 624235862 /nfs/dbraw/zinc/23/58/62/624235862.db2.gz RVKCPMXVVLMOLB-NXHRZFHOSA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)O1 ZINC000878286721 624235865 /nfs/dbraw/zinc/23/58/65/624235865.db2.gz RVKCPMXVVLMOLB-NXHRZFHOSA-N 2 1 306.494 3.283 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCSC(C)(C)C ZINC000878288040 624236981 /nfs/dbraw/zinc/23/69/81/624236981.db2.gz MRNIFQKZFWKQGJ-OAGGEKHMSA-N 2 1 314.539 3.092 20 0 DGADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000878422668 624274304 /nfs/dbraw/zinc/27/43/04/624274304.db2.gz NIWODXHUSDVVRB-FNPVLLODSA-N 2 1 316.489 3.158 20 0 DGADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000782951940 624293814 /nfs/dbraw/zinc/29/38/14/624293814.db2.gz HFSJVCDMGASSPN-UHFFFAOYSA-N 2 1 318.461 3.166 20 0 DGADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000782952067 624294022 /nfs/dbraw/zinc/29/40/22/624294022.db2.gz HKTIIUFHMGURIX-UHFFFAOYSA-N 2 1 320.477 3.412 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878511448 624294314 /nfs/dbraw/zinc/29/43/14/624294314.db2.gz CHNLSDVFSMSAIO-IXDOHACOSA-N 2 1 305.466 3.115 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878511448 624294316 /nfs/dbraw/zinc/29/43/16/624294316.db2.gz CHNLSDVFSMSAIO-IXDOHACOSA-N 2 1 305.466 3.115 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OCOCC)cc2)CC1 ZINC000782953886 624294843 /nfs/dbraw/zinc/29/48/43/624294843.db2.gz UUHZKOLFZAPWQS-UHFFFAOYSA-N 2 1 320.477 3.414 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000878513106 624294907 /nfs/dbraw/zinc/29/49/07/624294907.db2.gz VBJRMPGTFPTUKV-INIZCTEOSA-N 2 1 307.482 3.363 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000878513106 624294909 /nfs/dbraw/zinc/29/49/09/624294909.db2.gz VBJRMPGTFPTUKV-INIZCTEOSA-N 2 1 307.482 3.363 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000878562920 624308819 /nfs/dbraw/zinc/30/88/19/624308819.db2.gz INPVCVWWJIFAPT-RTBURBONSA-N 2 1 318.505 3.284 20 0 DGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000878562920 624308823 /nfs/dbraw/zinc/30/88/23/624308823.db2.gz INPVCVWWJIFAPT-RTBURBONSA-N 2 1 318.505 3.284 20 0 DGADMP CO[C@H]1C[C@@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000878574782 624312693 /nfs/dbraw/zinc/31/26/93/624312693.db2.gz WWOVDPLBLWQQFU-ZACQAIPSSA-N 2 1 322.518 3.235 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000878574782 624312694 /nfs/dbraw/zinc/31/26/94/624312694.db2.gz WWOVDPLBLWQQFU-ZACQAIPSSA-N 2 1 322.518 3.235 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000878574782 624312696 /nfs/dbraw/zinc/31/26/96/624312696.db2.gz WWOVDPLBLWQQFU-ZACQAIPSSA-N 2 1 322.518 3.235 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878662348 624334332 /nfs/dbraw/zinc/33/43/32/624334332.db2.gz OWPWVZDZHYYKCS-SLFFLAALSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878662348 624334335 /nfs/dbraw/zinc/33/43/35/624334335.db2.gz OWPWVZDZHYYKCS-SLFFLAALSA-N 2 1 314.473 3.324 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000878662348 624334339 /nfs/dbraw/zinc/33/43/39/624334339.db2.gz OWPWVZDZHYYKCS-SLFFLAALSA-N 2 1 314.473 3.324 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000878667796 624335753 /nfs/dbraw/zinc/33/57/53/624335753.db2.gz BFZXNTYCAJZNHE-HOJAQTOUSA-N 2 1 314.473 3.198 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000783392874 624343534 /nfs/dbraw/zinc/34/35/34/624343534.db2.gz NYUZTHJGXUCPMI-UHFFFAOYSA-N 2 1 320.477 3.364 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000783392874 624343543 /nfs/dbraw/zinc/34/35/43/624343543.db2.gz NYUZTHJGXUCPMI-UHFFFAOYSA-N 2 1 320.477 3.364 20 0 DGADMP COCC[N@@H+](C[C@@H]1CCc2ccccc21)CC1CC[NH+](C)CC1 ZINC000879127114 624433323 /nfs/dbraw/zinc/43/33/23/624433323.db2.gz RHTZABJWSHXGOR-IBGZPJMESA-N 2 1 316.489 3.007 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000879210271 624452173 /nfs/dbraw/zinc/45/21/73/624452173.db2.gz XYXIKSNFDJIEKM-LJQANCHMSA-N 2 1 316.489 3.451 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879674347 624635599 /nfs/dbraw/zinc/63/55/99/624635599.db2.gz GKCCFWRZHAOUSW-LJQANCHMSA-N 2 1 312.461 3.368 20 0 DGADMP CC(C)C[N@H+](Cc1noc2c1CCCC2)CC1CC[NH+](C)CC1 ZINC000879702122 624645472 /nfs/dbraw/zinc/64/54/72/624645472.db2.gz GSPOULQPNHRFOY-UHFFFAOYSA-N 2 1 319.493 3.353 20 0 DGADMP Cc1nccn1CCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704844 624645606 /nfs/dbraw/zinc/64/56/06/624645606.db2.gz VJSSRJASUNEORK-UHFFFAOYSA-N 3 1 320.525 3.272 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704844 624645611 /nfs/dbraw/zinc/64/56/11/624645611.db2.gz VJSSRJASUNEORK-UHFFFAOYSA-N 3 1 320.525 3.272 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704844 624645612 /nfs/dbraw/zinc/64/56/12/624645612.db2.gz VJSSRJASUNEORK-UHFFFAOYSA-N 3 1 320.525 3.272 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000879918422 624721794 /nfs/dbraw/zinc/72/17/94/624721794.db2.gz DBTBRJDGMQOFEK-JKSUJKDBSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000879918422 624721803 /nfs/dbraw/zinc/72/18/03/624721803.db2.gz DBTBRJDGMQOFEK-JKSUJKDBSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)[nH]n1 ZINC000879918422 624721809 /nfs/dbraw/zinc/72/18/09/624721809.db2.gz DBTBRJDGMQOFEK-JKSUJKDBSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918422 624721830 /nfs/dbraw/zinc/72/18/30/624721830.db2.gz DBTBRJDGMQOFEK-JKSUJKDBSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918422 624721846 /nfs/dbraw/zinc/72/18/46/624721846.db2.gz DBTBRJDGMQOFEK-JKSUJKDBSA-N 2 1 304.482 3.197 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000879949218 624729396 /nfs/dbraw/zinc/72/93/96/624729396.db2.gz SMYKMJYQKHMSDO-UHFFFAOYSA-N 2 1 322.415 3.296 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CCN1c1cc[nH+]cc1 ZINC000880258586 624875239 /nfs/dbraw/zinc/87/52/39/624875239.db2.gz AWNAARPTPUSNRI-WMZOPIPTSA-N 2 1 315.461 3.084 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)n1 ZINC000880259624 624875361 /nfs/dbraw/zinc/87/53/61/624875361.db2.gz XISAJENXMLFHTN-INIZCTEOSA-N 2 1 310.445 3.113 20 0 DGADMP FC[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](CF)C3)c2)C1 ZINC000880297447 624899966 /nfs/dbraw/zinc/89/99/66/624899966.db2.gz OHXNVPGABSDGKG-ROUUACIJSA-N 2 1 308.416 3.269 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000880475783 624964312 /nfs/dbraw/zinc/96/43/12/624964312.db2.gz XOWAREGQXPQRPH-UHFFFAOYSA-N 2 1 315.486 3.399 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000880476246 624964731 /nfs/dbraw/zinc/96/47/31/624964731.db2.gz ROACTAHQCFEHBZ-MOPGFXCFSA-N 2 1 314.473 3.467 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000787305649 624999529 /nfs/dbraw/zinc/99/95/29/624999529.db2.gz UAMLSMLNVARMPM-QFBILLFUSA-N 2 1 322.468 3.383 20 0 DGADMP c1cc2[nH+]ccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2s1 ZINC000882726145 625800129 /nfs/dbraw/zinc/80/01/29/625800129.db2.gz LLOZELLZPJSGLT-CQSZACIVSA-N 2 1 317.458 3.034 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000883018031 625898589 /nfs/dbraw/zinc/89/85/89/625898589.db2.gz LKKJUTUISLDJIH-NVXWUHKLSA-N 2 1 304.478 3.331 20 0 DGADMP COCc1c(C)cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000883018033 625899270 /nfs/dbraw/zinc/89/92/70/625899270.db2.gz LKKJUTUISLDJIH-WBVHZDCISA-N 2 1 304.478 3.331 20 0 DGADMP c1n[nH]c2c1[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)CCC2 ZINC000796748514 626078469 /nfs/dbraw/zinc/07/84/69/626078469.db2.gz VUTDMZNCFRPFPK-QGZVFWFLSA-N 2 1 304.482 3.423 20 0 DGADMP c1n[nH]c2c1[C@@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000796802147 626084653 /nfs/dbraw/zinc/08/46/53/626084653.db2.gz YZDRCRFVURAVLJ-DQPZFDDXSA-N 2 1 302.466 3.174 20 0 DGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000797583152 626155038 /nfs/dbraw/zinc/15/50/38/626155038.db2.gz YZBDQWJAGXGDQN-NBMJBFSESA-N 2 1 308.510 3.434 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cnc1Cl ZINC000798957215 626262647 /nfs/dbraw/zinc/26/26/47/626262647.db2.gz OPSTVEQDQPNRSC-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP COc1ccc(F)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178662 626277901 /nfs/dbraw/zinc/27/79/01/626277901.db2.gz BAHGHQPPDYWVQS-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000802303209 626558493 /nfs/dbraw/zinc/55/84/93/626558493.db2.gz ZXXBNXWSTHDUJD-RBUKOAKNSA-N 2 1 308.510 3.434 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883329423 626649849 /nfs/dbraw/zinc/64/98/49/626649849.db2.gz KFCIHRDKEMXBGH-GOEBONIOSA-N 2 1 318.461 3.371 20 0 DGADMP COc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883329423 626649851 /nfs/dbraw/zinc/64/98/51/626649851.db2.gz KFCIHRDKEMXBGH-GOEBONIOSA-N 2 1 318.461 3.371 20 0 DGADMP c1ccc([C@H]2CCC[C@H](C[N@H+]3CCC4(C3)CC[NH2+]CC4)O2)cc1 ZINC000883424348 626679222 /nfs/dbraw/zinc/67/92/22/626679222.db2.gz OUNMSWOXESSYST-RTBURBONSA-N 2 1 314.473 3.372 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883429991 626680780 /nfs/dbraw/zinc/68/07/80/626680780.db2.gz KRIWXMLNQBRXBH-HSALFYBXSA-N 2 1 314.473 3.372 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883432291 626680808 /nfs/dbraw/zinc/68/08/08/626680808.db2.gz OUSBBJDFLLBBIK-YSHGAJCASA-N 2 1 302.462 3.214 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)O2)cc1 ZINC000883440488 626683349 /nfs/dbraw/zinc/68/33/49/626683349.db2.gz RHUFOYRZEPNDSA-WTGUMLROSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459859 626686147 /nfs/dbraw/zinc/68/61/47/626686147.db2.gz JAXKJOLTTIBJPD-ROUUACIJSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[NH2+]CCC34CCC4)O2)cc1 ZINC000883459859 626686150 /nfs/dbraw/zinc/68/61/50/626686150.db2.gz JAXKJOLTTIBJPD-ROUUACIJSA-N 2 1 300.446 3.125 20 0 DGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccsc3[C@H]2C)cc1 ZINC000883461020 626686557 /nfs/dbraw/zinc/68/65/57/626686557.db2.gz MDVBOGUJTNNXCH-CJNGLKHVSA-N 2 1 316.470 3.418 20 0 DGADMP c1ccc2c(c1)C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCN21 ZINC000883462401 626686586 /nfs/dbraw/zinc/68/65/86/626686586.db2.gz QEGYOVCLFPAEKG-LJQANCHMSA-N 2 1 313.489 3.251 20 0 DGADMP CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737310 626943597 /nfs/dbraw/zinc/94/35/97/626943597.db2.gz FXBMNIZDYUPAEC-UHFFFAOYSA-N 2 1 311.473 3.446 20 0 DGADMP Cc1nc(F)ccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738938 626944110 /nfs/dbraw/zinc/94/41/10/626944110.db2.gz QFRNKNQHEHSEPR-UHFFFAOYSA-N 2 1 301.409 3.223 20 0 DGADMP CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000809739056 626944334 /nfs/dbraw/zinc/94/43/34/626944334.db2.gz VWEHZISMBFZJTI-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CCCCC1 ZINC000809749883 626946396 /nfs/dbraw/zinc/94/63/96/626946396.db2.gz LMKIJCCYQYSHNB-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCCCC1 ZINC000809749883 626946399 /nfs/dbraw/zinc/94/63/99/626946399.db2.gz LMKIJCCYQYSHNB-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCCCC1 ZINC000886081046 627099777 /nfs/dbraw/zinc/09/97/77/627099777.db2.gz IBIIRZJVWCFSCH-QFBILLFUSA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886081046 627099779 /nfs/dbraw/zinc/09/97/79/627099779.db2.gz IBIIRZJVWCFSCH-QFBILLFUSA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886081046 627099780 /nfs/dbraw/zinc/09/97/80/627099780.db2.gz IBIIRZJVWCFSCH-QFBILLFUSA-N 2 1 306.494 3.284 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000886315556 627135602 /nfs/dbraw/zinc/13/56/02/627135602.db2.gz RXPXDQSKKCKLLR-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000886504162 627153909 /nfs/dbraw/zinc/15/39/09/627153909.db2.gz TVCRVFIGBSKFIL-AEFFLSMTSA-N 2 1 306.498 3.219 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC000886516790 627155360 /nfs/dbraw/zinc/15/53/60/627155360.db2.gz YIGRPBSBFRRJLK-UHFFFAOYSA-N 2 1 319.537 3.390 20 0 DGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000886523263 627156801 /nfs/dbraw/zinc/15/68/01/627156801.db2.gz ZOCSKPZVILTOGX-AZUAARDMSA-N 2 1 321.468 3.223 20 0 DGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc43)C2)cc1 ZINC000886523263 627156802 /nfs/dbraw/zinc/15/68/02/627156802.db2.gz ZOCSKPZVILTOGX-AZUAARDMSA-N 2 1 321.468 3.223 20 0 DGADMP COCCc1cc[nH+]c(NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886608651 627172108 /nfs/dbraw/zinc/17/21/08/627172108.db2.gz CNTKZHLHTVBVNP-UHFFFAOYSA-N 2 1 317.477 3.480 20 0 DGADMP Cc1[nH]c(C2CC[NH+](Cc3ccc4c(c3)COC4)CC2)[nH+]c1C ZINC000886663057 627183801 /nfs/dbraw/zinc/18/38/01/627183801.db2.gz RYNMKYJPMCLSKM-UHFFFAOYSA-N 2 1 311.429 3.436 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000886857863 627211283 /nfs/dbraw/zinc/21/12/83/627211283.db2.gz CWNVJONTXQEOSW-INIZCTEOSA-N 2 1 307.507 3.096 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841473 627211325 /nfs/dbraw/zinc/21/13/25/627211325.db2.gz MICTWACTMQXCFV-ZWKOTPCHSA-N 2 1 306.494 3.047 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000886841470 627211397 /nfs/dbraw/zinc/21/13/97/627211397.db2.gz MICTWACTMQXCFV-MSOLQXFVSA-N 2 1 306.494 3.047 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1ccccc1 ZINC000813876918 627518311 /nfs/dbraw/zinc/51/83/11/627518311.db2.gz DKTOEEJWZPOMIU-CABCVRRESA-N 2 1 300.450 3.029 20 0 DGADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000815126226 627632307 /nfs/dbraw/zinc/63/23/07/627632307.db2.gz ISYZQEMHQVKUJB-SFHVURJKSA-N 2 1 322.880 3.381 20 0 DGADMP C[C@H](NCCC[NH+]1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924577160 627651088 /nfs/dbraw/zinc/65/10/88/627651088.db2.gz CUNWYHXEGYPIMY-KRWDZBQOSA-N 2 1 303.494 3.275 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnn1C1CCC1 ZINC000924580062 627651807 /nfs/dbraw/zinc/65/18/07/627651807.db2.gz SUGXXIHCWCXIJT-MRXNPFEDSA-N 2 1 304.482 3.381 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C(C(C)C)C(C)C)CC1 ZINC000924658130 627664214 /nfs/dbraw/zinc/66/42/14/627664214.db2.gz GHMAYRUFPPZKCK-SFHVURJKSA-N 2 1 311.558 3.310 20 0 DGADMP COc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000924683594 627666501 /nfs/dbraw/zinc/66/65/01/627666501.db2.gz AJUWFQZSDQSMRG-JKSUJKDBSA-N 2 1 305.466 3.253 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000924705055 627670559 /nfs/dbraw/zinc/67/05/59/627670559.db2.gz KFZLMXDYSGHPEA-NHCUHLMSSA-N 2 1 323.484 3.167 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc(OC)no2)c1 ZINC000924709553 627671238 /nfs/dbraw/zinc/67/12/38/627671238.db2.gz XOXQJBLYUYXMPJ-CQSZACIVSA-N 2 1 317.433 3.376 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000815576190 627686148 /nfs/dbraw/zinc/68/61/48/627686148.db2.gz LTOUEXVNFLBRGX-INIZCTEOSA-N 2 1 321.484 3.058 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924950230 627696527 /nfs/dbraw/zinc/69/65/27/627696527.db2.gz IMZPCNSVMAFNDR-ABAIWWIYSA-N 2 1 304.825 3.153 20 0 DGADMP Cc1ccc([C@H](NC[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011453 627701275 /nfs/dbraw/zinc/70/12/75/627701275.db2.gz QGXGHWCLAYFQLA-XLIONFOSSA-N 2 1 309.457 3.411 20 0 DGADMP CC[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000925080130 627706738 /nfs/dbraw/zinc/70/67/38/627706738.db2.gz QZGNZXNASLOKPA-MDZRGWNJSA-N 2 1 302.462 3.227 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](CCO)c2cccs2)CC1 ZINC000925122537 627711035 /nfs/dbraw/zinc/71/10/35/627711035.db2.gz MPLCYDDFIUYGBL-MRXNPFEDSA-N 2 1 310.507 3.272 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925133534 627711576 /nfs/dbraw/zinc/71/15/76/627711576.db2.gz LWPYICJMLFLGRH-CQSZACIVSA-N 2 1 301.438 3.244 20 0 DGADMP Cc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925207943 627719179 /nfs/dbraw/zinc/71/91/79/627719179.db2.gz NCQHTRSGKITLTQ-IBGZPJMESA-N 2 1 304.478 3.129 20 0 DGADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925525087 627746826 /nfs/dbraw/zinc/74/68/26/627746826.db2.gz FPPZKQSKWMWVIN-WOJBJXKFSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1 ZINC000925531964 627748910 /nfs/dbraw/zinc/74/89/10/627748910.db2.gz SVIPVVVHNIPPTM-BEFAXECRSA-N 2 1 305.425 3.455 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925547448 627751995 /nfs/dbraw/zinc/75/19/95/627751995.db2.gz VMMMKZVVBNYANP-LJQANCHMSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@H]([NH3+])[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553008 627752665 /nfs/dbraw/zinc/75/26/65/627752665.db2.gz MISIXDGOSZCKLV-AOIWGVFYSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553008 627752668 /nfs/dbraw/zinc/75/26/68/627752668.db2.gz MISIXDGOSZCKLV-AOIWGVFYSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553008 627752672 /nfs/dbraw/zinc/75/26/72/627752672.db2.gz MISIXDGOSZCKLV-AOIWGVFYSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925552971 627752732 /nfs/dbraw/zinc/75/27/32/627752732.db2.gz LWLCWSDHLQOWIT-OWSLCNJRSA-N 3 1 307.526 3.007 20 0 DGADMP Cc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)o1 ZINC000925556609 627753590 /nfs/dbraw/zinc/75/35/90/627753590.db2.gz KSFMSQMOOWYWAW-ULQDDVLXSA-N 2 1 319.493 3.221 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559410 627754539 /nfs/dbraw/zinc/75/45/39/627754539.db2.gz UHHHEHYMSSLOKF-KZNAEPCWSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000925568139 627755908 /nfs/dbraw/zinc/75/59/08/627755908.db2.gz SWZHGDVNXPNQJP-UHFFFAOYSA-N 2 1 302.462 3.317 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925571175 627756914 /nfs/dbraw/zinc/75/69/14/627756914.db2.gz ZTRHZPHJQNKXRW-LJQANCHMSA-N 2 1 315.505 3.291 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1 ZINC000925580341 627758190 /nfs/dbraw/zinc/75/81/90/627758190.db2.gz LOBDNKQQAKDHOI-AEFFLSMTSA-N 2 1 306.425 3.092 20 0 DGADMP CC1(C)[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925591538 627759741 /nfs/dbraw/zinc/75/97/41/627759741.db2.gz QUEVSGFZFYOCIZ-PVAVHDDUSA-N 2 1 324.415 3.197 20 0 DGADMP c1coc([C@H](CN[C@H]2CC[NH2+]C23CCCC3)[NH+]2CCCCC2)c1 ZINC000925610980 627761936 /nfs/dbraw/zinc/76/19/36/627761936.db2.gz JXUISXMDSPHIHV-WMZOPIPTSA-N 2 1 317.477 3.071 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000925617583 627763806 /nfs/dbraw/zinc/76/38/06/627763806.db2.gz XLKXRUYXRBMSEA-JENIJYKNSA-N 2 1 324.472 3.428 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631747 627765632 /nfs/dbraw/zinc/76/56/32/627765632.db2.gz JHAHRHKNSUFEPX-YLFCFFPRSA-N 3 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631747 627765635 /nfs/dbraw/zinc/76/56/35/627765635.db2.gz JHAHRHKNSUFEPX-YLFCFFPRSA-N 2 1 307.526 3.135 20 0 DGADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631747 627765638 /nfs/dbraw/zinc/76/56/38/627765638.db2.gz JHAHRHKNSUFEPX-YLFCFFPRSA-N 2 1 307.526 3.135 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925636170 627765877 /nfs/dbraw/zinc/76/58/77/627765877.db2.gz ANIUNSPVYQFORZ-BHIYHBOVSA-N 3 1 307.526 3.009 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCO2 ZINC000925643560 627768438 /nfs/dbraw/zinc/76/84/38/627768438.db2.gz FVGKNTAJENCJJZ-FGTMMUONSA-N 2 1 318.436 3.407 20 0 DGADMP FC(F)n1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c2ccccc21 ZINC000925719371 627781139 /nfs/dbraw/zinc/78/11/39/627781139.db2.gz SYZAZOIFPGNEMI-GDGMELARSA-N 2 1 317.383 3.122 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nc(-c3ccncc3)cs2)C1 ZINC000925731051 627783831 /nfs/dbraw/zinc/78/38/31/627783831.db2.gz RQXFLSKHVPSFKM-KBPBESRZSA-N 2 1 316.474 3.201 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)C1 ZINC000925731057 627783894 /nfs/dbraw/zinc/78/38/94/627783894.db2.gz RQXFLSKHVPSFKM-ZIAGYGMSSA-N 2 1 316.474 3.201 20 0 DGADMP Cc1ccc2c(c1)[C@@H](N1CCc3sc(CN)nc3C1)[C@@H](C)C2 ZINC000925746478 627786084 /nfs/dbraw/zinc/78/60/84/627786084.db2.gz BYYJJECXDRBTKM-SGTLLEGYSA-N 2 1 313.470 3.202 20 0 DGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747490 627786765 /nfs/dbraw/zinc/78/67/65/627786765.db2.gz IPWBOMIMBWXXJT-VNHYZAJKSA-N 2 1 307.507 3.421 20 0 DGADMP CC[C@H](c1ccc(C)cc1)N1CCc2sc(CN)nc2C1 ZINC000925752356 627787384 /nfs/dbraw/zinc/78/73/84/627787384.db2.gz UAPUFRXAUJTBJF-OAHLLOKOSA-N 2 1 301.459 3.420 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[C@@]34CCCO4)CC[NH2+]2)cc1 ZINC000925771304 627791874 /nfs/dbraw/zinc/79/18/74/627791874.db2.gz ASZNFBLJUFCLQQ-YDZRNGNQSA-N 2 1 300.446 3.171 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1nccc2ccccc21 ZINC000925775110 627793173 /nfs/dbraw/zinc/79/31/73/627793173.db2.gz DKTRLJGYSXVZDR-TZMCWYRMSA-N 2 1 305.372 3.130 20 0 DGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925782504 627794729 /nfs/dbraw/zinc/79/47/29/627794729.db2.gz LXVIXNVFEBPHND-PWSUYJOCSA-N 2 1 317.449 3.470 20 0 DGADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925830236 627801801 /nfs/dbraw/zinc/80/18/01/627801801.db2.gz GHTWMLBMUCIRNV-RRFJBIMHSA-N 2 1 319.518 3.422 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC[NH2+]2)cc1 ZINC000925833052 627802467 /nfs/dbraw/zinc/80/24/67/627802467.db2.gz QDAKHLPPVMXPJW-NCXUSEDFSA-N 2 1 300.446 3.029 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCN3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000925837594 627803198 /nfs/dbraw/zinc/80/31/98/627803198.db2.gz RCCAPANHQPDAEV-PMACEKPBSA-N 2 1 321.468 3.132 20 0 DGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccnn1-c1ccccc1 ZINC000925836600 627803435 /nfs/dbraw/zinc/80/34/35/627803435.db2.gz AXSKNHDSKPLOOG-KFKAGJAMSA-N 2 1 310.445 3.055 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccc4c3OCC4)CC[NH2+]2)cc1 ZINC000925873727 627809667 /nfs/dbraw/zinc/80/96/67/627809667.db2.gz CUKSFWKHDDMJSD-OALUTQOASA-N 2 1 308.425 3.204 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3cccc4c3OCC4)CC[NH2+]2)cc1 ZINC000925873732 627809674 /nfs/dbraw/zinc/80/96/74/627809674.db2.gz CUKSFWKHDDMJSD-RTBURBONSA-N 2 1 308.425 3.204 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)C1C[NH2+]C1 ZINC000925877030 627810556 /nfs/dbraw/zinc/81/05/56/627810556.db2.gz DJQIRGOTSLFSJX-DJKXOVBDSA-N 2 1 308.425 3.449 20 0 DGADMP CC(C)n1cc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119658 627846876 /nfs/dbraw/zinc/84/68/76/627846876.db2.gz OLLYXTGIUXVVTC-PMPSAXMXSA-N 2 1 319.497 3.163 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000926120211 627847564 /nfs/dbraw/zinc/84/75/64/627847564.db2.gz VQLGCUJOTLXUQB-PMPSAXMXSA-N 2 1 317.477 3.394 20 0 DGADMP COc1ccnc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000926120211 627847565 /nfs/dbraw/zinc/84/75/65/627847565.db2.gz VQLGCUJOTLXUQB-PMPSAXMXSA-N 2 1 317.477 3.394 20 0 DGADMP CC(C)(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000926126437 627847954 /nfs/dbraw/zinc/84/79/54/627847954.db2.gz QAFHZAQLEHJYTR-RTBURBONSA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000926126434 627848079 /nfs/dbraw/zinc/84/80/79/627848079.db2.gz QAFHZAQLEHJYTR-MOPGFXCFSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1cc(C)cc([C@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)c1 ZINC000926203343 627860613 /nfs/dbraw/zinc/86/06/13/627860613.db2.gz JZUOQYBVFCZRKK-HXUWFJFHSA-N 2 1 320.440 3.354 20 0 DGADMP C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354747 627883520 /nfs/dbraw/zinc/88/35/20/627883520.db2.gz VIPUEZNGNSPWMG-VQIMIIECSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354747 627883528 /nfs/dbraw/zinc/88/35/28/627883528.db2.gz VIPUEZNGNSPWMG-VQIMIIECSA-N 2 1 310.445 3.039 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000817407041 627893753 /nfs/dbraw/zinc/89/37/53/627893753.db2.gz BTINQRLKOQSECD-GOSISDBHSA-N 2 1 306.494 3.332 20 0 DGADMP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(C2CC2)c1 ZINC000817407533 627894484 /nfs/dbraw/zinc/89/44/84/627894484.db2.gz SFUJXHNEQIVCEQ-HXUWFJFHSA-N 2 1 314.473 3.297 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](C)O ZINC000926525276 627909062 /nfs/dbraw/zinc/90/90/62/627909062.db2.gz JNOPOOVNGHPVTL-PANBIXPWSA-N 2 1 316.489 3.321 20 0 DGADMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[N@H+](C)CC(C)C)n(C)n1 ZINC000926646062 627926571 /nfs/dbraw/zinc/92/65/71/627926571.db2.gz UQCVDQOJACDZGC-PKOBYXMFSA-N 2 1 320.525 3.007 20 0 DGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739220 627944465 /nfs/dbraw/zinc/94/44/65/627944465.db2.gz PMZIDGICQDFAQJ-GBESFXJTSA-N 2 1 308.510 3.029 20 0 DGADMP CCN(C)c1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817902390 627957376 /nfs/dbraw/zinc/95/73/76/627957376.db2.gz PCHKTYTZSFJOJE-APWZRJJASA-N 2 1 311.473 3.191 20 0 DGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817905431 627958088 /nfs/dbraw/zinc/95/80/88/627958088.db2.gz NAHBTXLNPRAGBO-HDBZGKQISA-N 2 1 314.404 3.372 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)ccc1SC(F)F ZINC000817936482 627966622 /nfs/dbraw/zinc/96/66/22/627966622.db2.gz OVTIOXQTPOOWCH-SNVBAGLBSA-N 2 1 316.417 3.413 20 0 DGADMP C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926893459 627973148 /nfs/dbraw/zinc/97/31/48/627973148.db2.gz GYIPVAZIEVVVCB-KDOFPFPSSA-N 2 1 310.445 3.340 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SC(F)F)cc1 ZINC000817982087 627982741 /nfs/dbraw/zinc/98/27/41/627982741.db2.gz PLAYQHURDNITQG-YPMHNXCESA-N 2 1 316.417 3.030 20 0 DGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000817983129 627983604 /nfs/dbraw/zinc/98/36/04/627983604.db2.gz KFPSLMWCAAZLRJ-ZLPCBKJTSA-N 2 1 319.468 3.001 20 0 DGADMP COC(OC)c1ccc(F)c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000818196548 628003267 /nfs/dbraw/zinc/00/32/67/628003267.db2.gz YVPUGKDFGNQVEH-HOTGVXAUSA-N 2 1 324.440 3.080 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(C[NH+](C)C)c1 ZINC000927109382 628016420 /nfs/dbraw/zinc/01/64/20/628016420.db2.gz XZPUZJQWODFOAH-CQSZACIVSA-N 2 1 312.461 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000927112826 628017519 /nfs/dbraw/zinc/01/75/19/628017519.db2.gz SLGNGXCLESRQGF-HAGHYFMRSA-N 2 1 314.473 3.153 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000818959590 628067633 /nfs/dbraw/zinc/06/76/33/628067633.db2.gz OLBPDSUKWDCQRU-MJGOQNOKSA-N 2 1 304.478 3.130 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000818970635 628069694 /nfs/dbraw/zinc/06/96/94/628069694.db2.gz OPYUKLJUCNLJSH-FQEVSTJZSA-N 2 1 312.457 3.270 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000818984615 628073288 /nfs/dbraw/zinc/07/32/88/628073288.db2.gz JHECQCUNMMGNAY-YOEHRIQHSA-N 2 1 310.869 3.083 20 0 DGADMP CCC(CC)(C[NH2+]C[C@@H](O)C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000819065446 628085838 /nfs/dbraw/zinc/08/58/38/628085838.db2.gz IVBPGJPKMNJOGP-MAUKXSAKSA-N 2 1 304.478 3.257 20 0 DGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccccc2Cl)[nH+]c1 ZINC000819130677 628097092 /nfs/dbraw/zinc/09/70/92/628097092.db2.gz WFKYRQLOXQPCLY-INIZCTEOSA-N 2 1 319.836 3.169 20 0 DGADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000819183327 628108188 /nfs/dbraw/zinc/10/81/88/628108188.db2.gz VBONHDVOCLWIRY-QUCCMNQESA-N 2 1 318.505 3.294 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000820811254 628299707 /nfs/dbraw/zinc/29/97/07/628299707.db2.gz NRVQUDNCHLPFHO-LLPGRJKPSA-N 2 1 304.478 3.082 20 0 DGADMP CSC(C)(C)CC[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000820873944 628307579 /nfs/dbraw/zinc/30/75/79/628307579.db2.gz BHUYHSJQCJCTKD-UHFFFAOYSA-N 2 1 314.539 3.143 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000821380297 628361969 /nfs/dbraw/zinc/36/19/69/628361969.db2.gz PMBTZZGOHMBUOF-HDYDNRTBSA-N 2 1 316.489 3.398 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821380297 628361973 /nfs/dbraw/zinc/36/19/73/628361973.db2.gz PMBTZZGOHMBUOF-HDYDNRTBSA-N 2 1 316.489 3.398 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000821380297 628361975 /nfs/dbraw/zinc/36/19/75/628361975.db2.gz PMBTZZGOHMBUOF-HDYDNRTBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[NH2+]C1CC[NH+](C2CC(OCc3ccccc3)C2)CC1 ZINC000821392319 628363276 /nfs/dbraw/zinc/36/32/76/628363276.db2.gz YDHSXXSWMQLXPN-UHFFFAOYSA-N 2 1 302.462 3.197 20 0 DGADMP Fc1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489612 628568087 /nfs/dbraw/zinc/56/80/87/628568087.db2.gz JMUSJLDQJKZLGQ-SWLSCSKDSA-N 2 1 323.843 3.323 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000823960674 628614081 /nfs/dbraw/zinc/61/40/81/628614081.db2.gz BPFKIGAUVFILHO-ZIAGYGMSSA-N 2 1 307.825 3.444 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000827949355 629007113 /nfs/dbraw/zinc/00/71/13/629007113.db2.gz MMXARZDFCKTJBW-HNNXBMFYSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)n1 ZINC000827949355 629007115 /nfs/dbraw/zinc/00/71/15/629007115.db2.gz MMXARZDFCKTJBW-HNNXBMFYSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cnc(CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000828456884 629055929 /nfs/dbraw/zinc/05/59/29/629055929.db2.gz JRSHOCHQAISLDR-UHFFFAOYSA-N 2 1 301.478 3.049 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443773 629157419 /nfs/dbraw/zinc/15/74/19/629157419.db2.gz DWQORVAGQUKISB-IBGZPJMESA-N 2 1 316.489 3.052 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCc3cc(Cl)ccc31)CCO2 ZINC000830651992 629292804 /nfs/dbraw/zinc/29/28/04/629292804.db2.gz KVZCLKWEUDYTQU-QGZVFWFLSA-N 2 1 320.864 3.124 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCc3cc(Cl)ccc31)CCO2 ZINC000830651992 629292807 /nfs/dbraw/zinc/29/28/07/629292807.db2.gz KVZCLKWEUDYTQU-QGZVFWFLSA-N 2 1 320.864 3.124 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840808630 630360887 /nfs/dbraw/zinc/36/08/87/630360887.db2.gz NFCFYHSPKWMHSO-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000841028040 630398245 /nfs/dbraw/zinc/39/82/45/630398245.db2.gz JZMZSJWKKLDWFY-PKOBYXMFSA-N 3 1 307.526 3.138 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)oc21 ZINC000843046537 630608109 /nfs/dbraw/zinc/60/81/09/630608109.db2.gz YMSFOOPIJOCDCH-WBVHZDCISA-N 2 1 314.429 3.405 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)oc21 ZINC000843046537 630608111 /nfs/dbraw/zinc/60/81/11/630608111.db2.gz YMSFOOPIJOCDCH-WBVHZDCISA-N 2 1 314.429 3.405 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055284 630609616 /nfs/dbraw/zinc/60/96/16/630609616.db2.gz VXLAXLGQZBXJJQ-UHFFFAOYSA-N 2 1 316.424 3.022 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000843065273 630610305 /nfs/dbraw/zinc/61/03/05/630610305.db2.gz KLFAQRRIOTVTJD-MISYRCLQSA-N 2 1 316.489 3.354 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000843065272 630610381 /nfs/dbraw/zinc/61/03/81/630610381.db2.gz KLFAQRRIOTVTJD-DFQSSKMNSA-N 2 1 316.489 3.354 20 0 DGADMP FC(F)(F)c1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000843119150 630615854 /nfs/dbraw/zinc/61/58/54/630615854.db2.gz HFGDHPJUIBPDPJ-DZGCQCFKSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@@H]([NH2+]C1CC1)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843182060 630628775 /nfs/dbraw/zinc/62/87/75/630628775.db2.gz VQYPSUYQESDTFZ-CYBMUJFWSA-N 2 1 312.417 3.145 20 0 DGADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843343882 630647810 /nfs/dbraw/zinc/64/78/10/630647810.db2.gz JSFJZHNIYFMOHK-SFHVURJKSA-N 2 1 317.521 3.191 20 0 DGADMP CCC[N@H+](Cc1cc(Cl)nc(Cl)c1)C1CC[NH2+]CC1 ZINC000843360838 630649933 /nfs/dbraw/zinc/64/99/33/630649933.db2.gz VPZBDVXZUSWZLO-UHFFFAOYSA-N 2 1 302.249 3.352 20 0 DGADMP CCC[N@@H+](Cc1cc(Cl)nc(Cl)c1)C1CC[NH2+]CC1 ZINC000843360838 630649935 /nfs/dbraw/zinc/64/99/35/630649935.db2.gz VPZBDVXZUSWZLO-UHFFFAOYSA-N 2 1 302.249 3.352 20 0 DGADMP Fc1ccc(-c2cnc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)o2)cc1 ZINC000843363738 630650101 /nfs/dbraw/zinc/65/01/01/630650101.db2.gz NEISZDZVHOBNMF-UHFFFAOYSA-N 2 1 315.392 3.056 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000843387510 630651664 /nfs/dbraw/zinc/65/16/64/630651664.db2.gz GVMBQGDHIJWFRI-OLZOCXBDSA-N 2 1 314.260 3.210 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000844202350 630712143 /nfs/dbraw/zinc/71/21/43/630712143.db2.gz DAXMUZVIEOSRIZ-QGZVFWFLSA-N 2 1 323.525 3.009 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)c(C)c1OC ZINC000845996867 631204969 /nfs/dbraw/zinc/20/49/69/631204969.db2.gz SSFNTNGIIGDAKH-UHFFFAOYSA-N 2 1 308.466 3.080 20 0 DGADMP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(C)c1OC ZINC000845996867 631204970 /nfs/dbraw/zinc/20/49/70/631204970.db2.gz SSFNTNGIIGDAKH-UHFFFAOYSA-N 2 1 308.466 3.080 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000846218191 631215297 /nfs/dbraw/zinc/21/52/97/631215297.db2.gz SXKAZBZPFDZDFP-MRXNPFEDSA-N 2 1 304.434 3.114 20 0 DGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000846219949 631215675 /nfs/dbraw/zinc/21/56/75/631215675.db2.gz DJMLAPLIVZBCPW-GOSISDBHSA-N 2 1 318.440 3.100 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000848527242 631679026 /nfs/dbraw/zinc/67/90/26/631679026.db2.gz WCYUYWZQJCZMKD-HNAYVOBHSA-N 2 1 320.452 3.162 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000848919067 631786366 /nfs/dbraw/zinc/78/63/66/631786366.db2.gz DSSSFTJNVKGWAY-UHFFFAOYSA-N 2 1 302.462 3.107 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000848985368 631797271 /nfs/dbraw/zinc/79/72/71/631797271.db2.gz AAJXIDKLOQMRBK-HOTGVXAUSA-N 2 1 316.493 3.331 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996140 631801421 /nfs/dbraw/zinc/80/14/21/631801421.db2.gz GEEOEZHSGFUGCJ-OAHLLOKOSA-N 2 1 316.493 3.478 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000849016870 631808124 /nfs/dbraw/zinc/80/81/24/631808124.db2.gz NYBUNANVEPHOPJ-UHFFFAOYSA-N 2 1 300.450 3.010 20 0 DGADMP Cc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)cc1C ZINC000849023034 631809034 /nfs/dbraw/zinc/80/90/34/631809034.db2.gz GXPYBAKIWKDECF-QGZVFWFLSA-N 2 1 300.450 3.257 20 0 DGADMP CCCCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000849071605 631826243 /nfs/dbraw/zinc/82/62/43/631826243.db2.gz MISKXKYRSRQAMO-MRXNPFEDSA-N 2 1 316.493 3.127 20 0 DGADMP CCCCCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000849071605 631826246 /nfs/dbraw/zinc/82/62/46/631826246.db2.gz MISKXKYRSRQAMO-MRXNPFEDSA-N 2 1 316.493 3.127 20 0 DGADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000849105865 631837073 /nfs/dbraw/zinc/83/70/73/631837073.db2.gz GKKXFCMGGYDCLK-KRWDZBQOSA-N 2 1 306.498 3.040 20 0 DGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000849350562 631901363 /nfs/dbraw/zinc/90/13/63/631901363.db2.gz QITTWSYMQUHYQO-HNNXBMFYSA-N 2 1 307.507 3.478 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC000108942741 631990273 /nfs/dbraw/zinc/99/02/73/631990273.db2.gz DTKKBYKSKFPVCG-UHFFFAOYSA-N 2 1 316.489 3.242 20 0 DGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc2ccccc21 ZINC000850360126 632124661 /nfs/dbraw/zinc/12/46/61/632124661.db2.gz CENRIQTYFJLCBL-FUHIMQAGSA-N 2 1 310.441 3.090 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000850556755 632192570 /nfs/dbraw/zinc/19/25/70/632192570.db2.gz LQIFBDSCOCKHQW-IXPVHAAZSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@H]([NH2+]CC1SCCS1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850560551 632193854 /nfs/dbraw/zinc/19/38/54/632193854.db2.gz LQEXKINPUAAMGY-GOEBONIOSA-N 2 1 322.543 3.293 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1SCCS1 ZINC000850559736 632194144 /nfs/dbraw/zinc/19/41/44/632194144.db2.gz FSKJYQKVXOZWAB-GDBMZVCRSA-N 2 1 322.543 3.293 20 0 DGADMP CO[C@H]1CC[C@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000851889471 632514482 /nfs/dbraw/zinc/51/44/82/632514482.db2.gz KAZZJVUWXMCOKG-OALUTQOASA-N 2 1 317.477 3.187 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CC[C@H](OC)C2)CC1)CC1CC1 ZINC000851889394 632514609 /nfs/dbraw/zinc/51/46/09/632514609.db2.gz HSFDZKDZPLEBDR-OALUTQOASA-N 2 1 308.510 3.388 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](NCC=C(Cl)Cl)[C@H](C)C1 ZINC000851947249 632528098 /nfs/dbraw/zinc/52/80/98/632528098.db2.gz PKNSTVGJIMXCAQ-CHWSQXEVSA-N 2 1 309.281 3.032 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108638 632556317 /nfs/dbraw/zinc/55/63/17/632556317.db2.gz JHFHVERWQFSWEW-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108638 632556320 /nfs/dbraw/zinc/55/63/20/632556320.db2.gz JHFHVERWQFSWEW-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108638 632556325 /nfs/dbraw/zinc/55/63/25/632556325.db2.gz JHFHVERWQFSWEW-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852108638 632556327 /nfs/dbraw/zinc/55/63/27/632556327.db2.gz JHFHVERWQFSWEW-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCc4ccccc4OC3)CC[NH2+]2)cc1 ZINC000423115362 660489931 /nfs/dbraw/zinc/48/99/31/660489931.db2.gz NCHNESAENJROQH-UFYCRDLUSA-N 2 1 322.452 3.463 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC)C1 ZINC001034479693 660757783 /nfs/dbraw/zinc/75/77/83/660757783.db2.gz AQMGRJGLYBSSIU-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC)C1 ZINC001034479693 660757785 /nfs/dbraw/zinc/75/77/85/660757785.db2.gz AQMGRJGLYBSSIU-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC)C1 ZINC001034479693 660757786 /nfs/dbraw/zinc/75/77/86/660757786.db2.gz AQMGRJGLYBSSIU-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC)C1 ZINC001034479695 660757798 /nfs/dbraw/zinc/75/77/98/660757798.db2.gz AQMGRJGLYBSSIU-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC)C1 ZINC001034479695 660757799 /nfs/dbraw/zinc/75/77/99/660757799.db2.gz AQMGRJGLYBSSIU-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC)C1 ZINC001034479695 660757800 /nfs/dbraw/zinc/75/78/00/660757800.db2.gz AQMGRJGLYBSSIU-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCc2cccnc21 ZINC000708554269 660924176 /nfs/dbraw/zinc/92/41/76/660924176.db2.gz WYAPGGGRWYEPRZ-LSTHTHJFSA-N 2 1 321.468 3.427 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCc2cccnc21 ZINC000708554269 660924177 /nfs/dbraw/zinc/92/41/77/660924177.db2.gz WYAPGGGRWYEPRZ-LSTHTHJFSA-N 2 1 321.468 3.427 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000711401446 660949996 /nfs/dbraw/zinc/94/99/96/660949996.db2.gz LPHQETFBXWJRTI-IBGZPJMESA-N 2 1 314.473 3.342 20 0 DGADMP C[C@H]([NH2+]Cc1cccnc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000794833625 661108375 /nfs/dbraw/zinc/10/83/75/661108375.db2.gz HDIWGVJXSMFSTQ-AWEZNQCLSA-N 2 1 317.408 3.012 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NC1CCCCCC1 ZINC000092277412 655535063 /nfs/dbraw/zinc/53/50/63/655535063.db2.gz IHTRLYFFLPZRSJ-MRXNPFEDSA-N 2 1 308.514 3.268 20 0 DGADMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089724480 655579558 /nfs/dbraw/zinc/57/95/58/655579558.db2.gz WWDYBWIXRIQCHD-RCCFBDPRSA-N 2 1 313.445 3.084 20 0 DGADMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089724480 655579560 /nfs/dbraw/zinc/57/95/60/655579560.db2.gz WWDYBWIXRIQCHD-RCCFBDPRSA-N 2 1 313.445 3.084 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000723674871 655715606 /nfs/dbraw/zinc/71/56/06/655715606.db2.gz DYFPSQNBUXYODS-JTQLQIEISA-N 2 1 317.658 3.273 20 0 DGADMP Cc1cc(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000074721829 655746814 /nfs/dbraw/zinc/74/68/14/655746814.db2.gz MHMGUYZLGBYMKW-KRWDZBQOSA-N 2 1 302.462 3.173 20 0 DGADMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000074721829 655746815 /nfs/dbraw/zinc/74/68/15/655746815.db2.gz MHMGUYZLGBYMKW-KRWDZBQOSA-N 2 1 302.462 3.173 20 0 DGADMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000074721829 655746816 /nfs/dbraw/zinc/74/68/16/655746816.db2.gz MHMGUYZLGBYMKW-KRWDZBQOSA-N 2 1 302.462 3.173 20 0 DGADMP c1nc(C2CCCC2)sc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262005440 655747524 /nfs/dbraw/zinc/74/75/24/655747524.db2.gz LTTNULSXRRCAFX-UHFFFAOYSA-N 2 1 305.491 3.376 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554104 655786591 /nfs/dbraw/zinc/78/65/91/655786591.db2.gz AAOYLGFGIQQIRJ-YJBOKZPZSA-N 2 1 304.482 3.208 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cnn(CC2CCC2)c1 ZINC000934554104 655786592 /nfs/dbraw/zinc/78/65/92/655786592.db2.gz AAOYLGFGIQQIRJ-YJBOKZPZSA-N 2 1 304.482 3.208 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(CC2CCC2)c1 ZINC000934562972 655787657 /nfs/dbraw/zinc/78/76/57/655787657.db2.gz UGBNHPUSUAYJSM-INIZCTEOSA-N 2 1 304.482 3.210 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000248143579 655807478 /nfs/dbraw/zinc/80/74/78/655807478.db2.gz PXPZSDJBHWOLPJ-SNRMKQJTSA-N 2 1 318.505 3.337 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000052210095 655807674 /nfs/dbraw/zinc/80/76/74/655807674.db2.gz RVWWGGVQJMWCAR-IBGZPJMESA-N 2 1 322.468 3.303 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000262388457 655853055 /nfs/dbraw/zinc/85/30/55/655853055.db2.gz ZNJQLHMMECQLGG-SOUVJXGZSA-N 2 1 310.388 3.298 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)C1 ZINC000930553631 656093358 /nfs/dbraw/zinc/09/33/58/656093358.db2.gz AFEVYBRQGGZDCL-QZTJIDSGSA-N 2 1 306.494 3.286 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185270528 656125381 /nfs/dbraw/zinc/12/53/81/656125381.db2.gz UIUVLMALOTVAKT-NSHDSACASA-N 2 1 322.796 3.179 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC000236696098 656148582 /nfs/dbraw/zinc/14/85/82/656148582.db2.gz YFHCESKHBBEKEH-SJORKVTESA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC000236696098 656148584 /nfs/dbraw/zinc/14/85/84/656148584.db2.gz YFHCESKHBBEKEH-SJORKVTESA-N 2 1 300.446 3.117 20 0 DGADMP CCCC[N@@H+](C[C@@H]1CCC(=O)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033121 656161571 /nfs/dbraw/zinc/16/15/71/656161571.db2.gz DYBHJGVXXOLJGI-HNNXBMFYSA-N 2 1 310.482 3.103 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)[NH+]1CCCC1 ZINC000236698876 656201037 /nfs/dbraw/zinc/20/10/37/656201037.db2.gz DHTSMFSRJNPZKV-APWZRJJASA-N 2 1 304.478 3.423 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000262106169 657364233 /nfs/dbraw/zinc/36/42/33/657364233.db2.gz VYZBHGRCKHTEGK-UHFFFAOYSA-N 2 1 318.461 3.060 20 0 DGADMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000066242815 657393035 /nfs/dbraw/zinc/39/30/35/657393035.db2.gz MNBRMSYDLNZAIA-QGZVFWFLSA-N 2 1 300.450 3.112 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000262418046 657553496 /nfs/dbraw/zinc/55/34/96/657553496.db2.gz DSSUFVQWFXPAPI-USXIJHARSA-N 2 1 313.470 3.288 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000262418046 657553507 /nfs/dbraw/zinc/55/35/07/657553507.db2.gz DSSUFVQWFXPAPI-USXIJHARSA-N 2 1 313.470 3.288 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC ZINC000969108445 657558197 /nfs/dbraw/zinc/55/81/97/657558197.db2.gz BRBHXTXWXLRVKY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC000969108445 657558200 /nfs/dbraw/zinc/55/82/00/657558200.db2.gz BRBHXTXWXLRVKY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC000969108445 657558207 /nfs/dbraw/zinc/55/82/07/657558207.db2.gz BRBHXTXWXLRVKY-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@](C)(O)c3ccco3)CC2)C1 ZINC000305147185 657687604 /nfs/dbraw/zinc/68/76/04/657687604.db2.gz NTHMTLUCEQHYMS-SUMDDJOVSA-N 2 1 320.477 3.120 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000720883902 658228095 /nfs/dbraw/zinc/22/80/95/658228095.db2.gz YWNDSWYNRFUTKS-IHPCNDPISA-N 2 1 314.473 3.198 20 0 DGADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964015731 658259543 /nfs/dbraw/zinc/25/95/43/658259543.db2.gz YCNDQOLZDITZQP-ABHNRTSZSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683188 658562378 /nfs/dbraw/zinc/56/23/78/658562378.db2.gz HJZXWNCWVAGWEB-WDYCEAGBSA-N 2 1 310.445 3.150 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000322683188 658562385 /nfs/dbraw/zinc/56/23/85/658562385.db2.gz HJZXWNCWVAGWEB-WDYCEAGBSA-N 2 1 310.445 3.150 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000156861879 658951994 /nfs/dbraw/zinc/95/19/94/658951994.db2.gz APEVNONVORKSJT-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP Cc1sc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000227822308 659165831 /nfs/dbraw/zinc/16/58/31/659165831.db2.gz DLFPZRRPWNNMEW-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929470591 659451983 /nfs/dbraw/zinc/45/19/83/659451983.db2.gz NTNUEQRVHLXUHS-LSDHHAIUSA-N 2 1 322.415 3.291 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000929645020 659501602 /nfs/dbraw/zinc/50/16/02/659501602.db2.gz ZWIQQPUYKZIGTN-WMLDXEAASA-N 2 1 304.482 3.113 20 0 DGADMP Cc1[nH]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)[nH+]1 ZINC000929645020 659501604 /nfs/dbraw/zinc/50/16/04/659501604.db2.gz ZWIQQPUYKZIGTN-WMLDXEAASA-N 2 1 304.482 3.113 20 0 DGADMP c1cc(SCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000930060494 659901714 /nfs/dbraw/zinc/90/17/14/659901714.db2.gz JNDNNXHESGXQCD-QAPCUYQASA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000930060494 659901717 /nfs/dbraw/zinc/90/17/17/659901717.db2.gz JNDNNXHESGXQCD-QAPCUYQASA-N 2 1 317.502 3.122 20 0 DGADMP c1cc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000930060494 659901718 /nfs/dbraw/zinc/90/17/18/659901718.db2.gz JNDNNXHESGXQCD-QAPCUYQASA-N 2 1 317.502 3.122 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930061639 659902146 /nfs/dbraw/zinc/90/21/46/659902146.db2.gz ULHLOCBKQLHRME-NZSAHSFTSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930061639 659902147 /nfs/dbraw/zinc/90/21/47/659902147.db2.gz ULHLOCBKQLHRME-NZSAHSFTSA-N 2 1 318.505 3.427 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930061639 659902148 /nfs/dbraw/zinc/90/21/48/659902148.db2.gz ULHLOCBKQLHRME-NZSAHSFTSA-N 2 1 318.505 3.427 20 0 DGADMP c1nc(-c2ccccc2)oc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836944 661343470 /nfs/dbraw/zinc/34/34/70/661343470.db2.gz UOWOTEZMFHPCSM-UHFFFAOYSA-N 2 1 320.396 3.059 20 0 DGADMP Cc1cn(C)nc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000929840853 661343722 /nfs/dbraw/zinc/34/37/22/661343722.db2.gz IFLFUUZXZOMTOX-QGZVFWFLSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cn(C)nc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000929840853 661343723 /nfs/dbraw/zinc/34/37/23/661343723.db2.gz IFLFUUZXZOMTOX-QGZVFWFLSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930061475 661362102 /nfs/dbraw/zinc/36/21/02/661362102.db2.gz RIHILRXJEXBDPA-UONOGXRCSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930061475 661362105 /nfs/dbraw/zinc/36/21/05/661362105.db2.gz RIHILRXJEXBDPA-UONOGXRCSA-N 2 1 319.371 3.013 20 0 DGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC000930278277 661384358 /nfs/dbraw/zinc/38/43/58/661384358.db2.gz JWIXCZYBSWRILD-OYRHEFFESA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC000930278277 661384361 /nfs/dbraw/zinc/38/43/61/661384361.db2.gz JWIXCZYBSWRILD-OYRHEFFESA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC000930278277 661384363 /nfs/dbraw/zinc/38/43/63/661384363.db2.gz JWIXCZYBSWRILD-OYRHEFFESA-N 2 1 321.468 3.078 20 0 DGADMP COC/C(C)=C/C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000930374567 661392825 /nfs/dbraw/zinc/39/28/25/661392825.db2.gz XAKYZIPDFBLRDO-SXKJYUOZSA-N 2 1 322.518 3.403 20 0 DGADMP COC/C(C)=C/C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000930374567 661392829 /nfs/dbraw/zinc/39/28/29/661392829.db2.gz XAKYZIPDFBLRDO-SXKJYUOZSA-N 2 1 322.518 3.403 20 0 DGADMP COC/C(C)=C\C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000930374564 661393165 /nfs/dbraw/zinc/39/31/65/661393165.db2.gz XAKYZIPDFBLRDO-OLMDTSMNSA-N 2 1 322.518 3.403 20 0 DGADMP COC/C(C)=C\C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000930374564 661393167 /nfs/dbraw/zinc/39/31/67/661393167.db2.gz XAKYZIPDFBLRDO-OLMDTSMNSA-N 2 1 322.518 3.403 20 0 DGADMP COc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1C ZINC000930803660 661431045 /nfs/dbraw/zinc/43/10/45/661431045.db2.gz AZQRGDPPFQRCEJ-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP CCCC[N@@H+](CCc1cn[nH]c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034178 661447007 /nfs/dbraw/zinc/44/70/07/661447007.db2.gz PQMJQLBNHAKPLE-UHFFFAOYSA-N 2 1 306.498 3.364 20 0 DGADMP CCSc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931074409 661449689 /nfs/dbraw/zinc/44/96/89/661449689.db2.gz FGLCCWSSFCIHDJ-KRWDZBQOSA-N 2 1 322.518 3.341 20 0 DGADMP CCSc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931074409 661449690 /nfs/dbraw/zinc/44/96/90/661449690.db2.gz FGLCCWSSFCIHDJ-KRWDZBQOSA-N 2 1 322.518 3.341 20 0 DGADMP CC(C)c1ccccc1CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931283989 661464106 /nfs/dbraw/zinc/46/41/06/661464106.db2.gz KLNDPQSQPXKGPO-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931283989 661464108 /nfs/dbraw/zinc/46/41/08/661464108.db2.gz KLNDPQSQPXKGPO-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931283989 661464109 /nfs/dbraw/zinc/46/41/09/661464109.db2.gz KLNDPQSQPXKGPO-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931283989 661464112 /nfs/dbraw/zinc/46/41/12/661464112.db2.gz KLNDPQSQPXKGPO-UHFFFAOYSA-N 2 1 316.489 3.497 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000931353112 661469850 /nfs/dbraw/zinc/46/98/50/661469850.db2.gz ALRJDQLATABVHG-ZWKOTPCHSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371188 661471335 /nfs/dbraw/zinc/47/13/35/661471335.db2.gz VRTMEGRQJGIPTH-JKSUJKDBSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371188 661471337 /nfs/dbraw/zinc/47/13/37/661471337.db2.gz VRTMEGRQJGIPTH-JKSUJKDBSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371188 661471339 /nfs/dbraw/zinc/47/13/39/661471339.db2.gz VRTMEGRQJGIPTH-JKSUJKDBSA-N 2 1 312.461 3.227 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438470 661476590 /nfs/dbraw/zinc/47/65/90/661476590.db2.gz IAENSGLWTJNSGE-BHYGNILZSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438470 661476593 /nfs/dbraw/zinc/47/65/93/661476593.db2.gz IAENSGLWTJNSGE-BHYGNILZSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438470 661476594 /nfs/dbraw/zinc/47/65/94/661476594.db2.gz IAENSGLWTJNSGE-BHYGNILZSA-N 2 1 311.429 3.286 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438470 661476596 /nfs/dbraw/zinc/47/65/96/661476596.db2.gz IAENSGLWTJNSGE-BHYGNILZSA-N 2 1 311.429 3.286 20 0 DGADMP Nc1ccnc2c1C[N@@H+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)CC2 ZINC000931516065 661484646 /nfs/dbraw/zinc/48/46/46/661484646.db2.gz GYHSMFVZXWTQOX-RHSMWYFYSA-N 2 1 315.367 3.071 20 0 DGADMP COC/C(C)=C/CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931612102 661492487 /nfs/dbraw/zinc/49/24/87/661492487.db2.gz FGBDDTUCEGENFO-XABDDXTBSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931612102 661492490 /nfs/dbraw/zinc/49/24/90/661492490.db2.gz FGBDDTUCEGENFO-XABDDXTBSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C/C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931612102 661492496 /nfs/dbraw/zinc/49/24/96/661492496.db2.gz FGBDDTUCEGENFO-XABDDXTBSA-N 2 1 314.473 3.033 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3cccc(C)c3)CC2)[nH+]c1C ZINC000931748169 661504774 /nfs/dbraw/zinc/50/47/74/661504774.db2.gz JVBUXIYAMPAGQZ-SFHVURJKSA-N 2 1 313.445 3.248 20 0 DGADMP COC[C@H](C)[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548841 661640371 /nfs/dbraw/zinc/64/03/71/661640371.db2.gz ADEGIHIDUBJRPL-KRWDZBQOSA-N 2 1 302.462 3.108 20 0 DGADMP CC1(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)COC1 ZINC000933548847 661640463 /nfs/dbraw/zinc/64/04/63/661640463.db2.gz AISFKRFDIKAERQ-UHFFFAOYSA-N 2 1 314.473 3.110 20 0 DGADMP CCC[N@@H+](CC1(C)COC1)C1CCN(Cc2ccccc2)CC1 ZINC000934185605 661685358 /nfs/dbraw/zinc/68/53/58/661685358.db2.gz NANRLBGGCAXBEJ-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP CCOc1ccc(CC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000934722740 661729932 /nfs/dbraw/zinc/72/99/32/661729932.db2.gz YPZRNNFIYKNURI-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP CCOc1ccc(CC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000934722740 661729933 /nfs/dbraw/zinc/72/99/33/661729933.db2.gz YPZRNNFIYKNURI-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP C[N@@H+](Cc1sccc1Br)C1CCC([NH3+])CC1 ZINC000085869802 662211369 /nfs/dbraw/zinc/21/13/69/662211369.db2.gz FAMMQRBYWQQDIE-UHFFFAOYSA-N 2 1 303.269 3.212 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2)cc1 ZINC000247091006 662299806 /nfs/dbraw/zinc/29/98/06/662299806.db2.gz XJPFNUWSYWVSRA-UYAOXDASSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2)cc1 ZINC000247091006 662299808 /nfs/dbraw/zinc/29/98/08/662299808.db2.gz XJPFNUWSYWVSRA-UYAOXDASSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2)cc1 ZINC000247091006 662299811 /nfs/dbraw/zinc/29/98/11/662299811.db2.gz XJPFNUWSYWVSRA-UYAOXDASSA-N 2 1 324.472 3.232 20 0 DGADMP Cc1ccc(-c2cnn(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2)cc1 ZINC000247091006 662299814 /nfs/dbraw/zinc/29/98/14/662299814.db2.gz XJPFNUWSYWVSRA-UYAOXDASSA-N 2 1 324.472 3.232 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247513243 662324667 /nfs/dbraw/zinc/32/46/67/662324667.db2.gz MSCWHTSZSVESTH-WMLDXEAASA-N 2 1 310.869 3.037 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247513243 662324669 /nfs/dbraw/zinc/32/46/69/662324669.db2.gz MSCWHTSZSVESTH-WMLDXEAASA-N 2 1 310.869 3.037 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770159 662359908 /nfs/dbraw/zinc/35/99/08/662359908.db2.gz NGCLNJIBXCONSC-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770159 662359910 /nfs/dbraw/zinc/35/99/10/662359910.db2.gz NGCLNJIBXCONSC-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770159 662359914 /nfs/dbraw/zinc/35/99/14/662359914.db2.gz NGCLNJIBXCONSC-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000093770159 662359917 /nfs/dbraw/zinc/35/99/17/662359917.db2.gz NGCLNJIBXCONSC-AWEZNQCLSA-N 2 1 302.418 3.215 20 0 DGADMP COc1cccc2cc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)oc21 ZINC000093865847 662360744 /nfs/dbraw/zinc/36/07/44/662360744.db2.gz MLURBDBKLIQIBZ-MRXNPFEDSA-N 2 1 324.380 3.490 20 0 DGADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388525185 685189948 /nfs/dbraw/zinc/18/99/48/685189948.db2.gz QWUNHGMOMBFYFP-IBGZPJMESA-N 2 1 303.494 3.102 20 0 DGADMP Cc1c(C[NH2+]C2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000389464215 685193234 /nfs/dbraw/zinc/19/32/34/685193234.db2.gz LMCHDLFWLARQGG-UHFFFAOYSA-N 2 1 305.422 3.113 20 0 DGADMP CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507814 686671138 /nfs/dbraw/zinc/67/11/38/686671138.db2.gz CAQJIALWLCKNOI-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)(C)n1cncc1[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576502381 1191831133 /nfs/dbraw/zinc/83/11/33/1191831133.db2.gz BQECUKMLRWXJEQ-QFBILLFUSA-N 2 1 318.509 3.207 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC001576649987 1191860038 /nfs/dbraw/zinc/86/00/38/1191860038.db2.gz VPDJURAKOXKXEU-SCTDSRPQSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC001576694930 1191863669 /nfs/dbraw/zinc/86/36/69/1191863669.db2.gz VVYDIWLXGVBPEC-QGZVFWFLSA-N 3 1 307.526 3.105 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH2+]C2CC2)CC1 ZINC001576694930 1191863673 /nfs/dbraw/zinc/86/36/73/1191863673.db2.gz VVYDIWLXGVBPEC-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC[NH2+]C2CC2)CC1 ZINC001576694930 1191863677 /nfs/dbraw/zinc/86/36/77/1191863677.db2.gz VVYDIWLXGVBPEC-QGZVFWFLSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1C[NH3+] ZINC001576809173 1191870403 /nfs/dbraw/zinc/87/04/03/1191870403.db2.gz OQTVYYKIRIPBKQ-XLIONFOSSA-N 3 1 315.505 3.089 20 0 DGADMP C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC001576914411 1191875239 /nfs/dbraw/zinc/87/52/39/1191875239.db2.gz KELVJRZRAUWOEI-MUURBNQUSA-N 2 1 302.462 3.416 20 0 DGADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001577279351 1191891542 /nfs/dbraw/zinc/89/15/42/1191891542.db2.gz DSYGRYXDMGMEQT-ZCTYVAAUSA-N 2 1 313.489 3.248 20 0 DGADMP CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577743129 1191914762 /nfs/dbraw/zinc/91/47/62/1191914762.db2.gz ODWZQAUHNFBXNH-MELADBBJSA-N 2 1 307.507 3.217 20 0 DGADMP CC[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578231023 1191933135 /nfs/dbraw/zinc/93/31/35/1191933135.db2.gz XVXRTRNWMATWFI-BHIYHBOVSA-N 2 1 304.478 3.025 20 0 DGADMP COCC[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001579000732 1191964260 /nfs/dbraw/zinc/96/42/60/1191964260.db2.gz BMSXLTWJFAVNEO-PZJWPPBQSA-N 2 1 324.468 3.192 20 0 DGADMP COCC[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001579000732 1191964261 /nfs/dbraw/zinc/96/42/61/1191964261.db2.gz BMSXLTWJFAVNEO-PZJWPPBQSA-N 2 1 324.468 3.192 20 0 DGADMP COCCC1([NH2+]Cc2ccsc2C(F)(F)F)CC[NH2+]CC1 ZINC001579009265 1191964751 /nfs/dbraw/zinc/96/47/51/1191964751.db2.gz VDELZOGCGLPQDM-UHFFFAOYSA-N 2 1 322.396 3.015 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)ccn1 ZINC001579149241 1191967426 /nfs/dbraw/zinc/96/74/26/1191967426.db2.gz RIABBXWHDMCSJY-MAUKXSAKSA-N 2 1 317.477 3.210 20 0 DGADMP COc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)C)c(OC)c1 ZINC001579213123 1191969460 /nfs/dbraw/zinc/96/94/60/1191969460.db2.gz UPPANVDNIWYBQR-HNNXBMFYSA-N 2 1 320.477 3.304 20 0 DGADMP COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CC1(C[NH3+])CC1 ZINC001579218248 1191969611 /nfs/dbraw/zinc/96/96/11/1191969611.db2.gz ARHVKIBAZPOHMK-AWEZNQCLSA-N 2 1 308.853 3.397 20 0 DGADMP COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CC1(C[NH3+])CC1 ZINC001579218248 1191969612 /nfs/dbraw/zinc/96/96/12/1191969612.db2.gz ARHVKIBAZPOHMK-AWEZNQCLSA-N 2 1 308.853 3.397 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC001579785090 1191993227 /nfs/dbraw/zinc/99/32/27/1191993227.db2.gz XYSMXBGQCSRSQZ-SFHVURJKSA-N 2 1 310.441 3.212 20 0 DGADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001579873190 1191997322 /nfs/dbraw/zinc/99/73/22/1191997322.db2.gz WNQGLSRRQUGFQV-LJQANCHMSA-N 2 1 312.461 3.135 20 0 DGADMP Cc1sc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1Br ZINC001579933938 1191999442 /nfs/dbraw/zinc/99/94/42/1191999442.db2.gz COTBODWGGIIRLH-GFCCVEGCSA-N 2 1 303.269 3.036 20 0 DGADMP Clc1ccc(C2=CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC001579938088 1192000331 /nfs/dbraw/zinc/00/03/31/1192000331.db2.gz ODHLMAMLHOYJBG-CQSZACIVSA-N 2 1 305.853 3.214 20 0 DGADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC001580033592 1192004147 /nfs/dbraw/zinc/00/41/47/1192004147.db2.gz UAVZHIFEEFLXSY-NSHDSACASA-N 2 1 323.412 3.320 20 0 DGADMP Fc1cccc2cc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cnc12 ZINC001580033914 1192004174 /nfs/dbraw/zinc/00/41/74/1192004174.db2.gz CXOABRGJTGYNIY-LJQANCHMSA-N 2 1 313.420 3.340 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C12CCC2 ZINC001580164730 1192011289 /nfs/dbraw/zinc/01/12/89/1192011289.db2.gz RMMYAPSVFSDDAM-CHWSQXEVSA-N 2 1 302.315 3.204 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C[C@H]21 ZINC001580177898 1192012341 /nfs/dbraw/zinc/01/23/41/1192012341.db2.gz YYGCKBMGXHUZIZ-ARFHVFGLSA-N 2 1 312.379 3.351 20 0 DGADMP O[C@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001580878440 1192043600 /nfs/dbraw/zinc/04/36/00/1192043600.db2.gz OXCSPVOSNGJLDD-TZIWHRDSSA-N 2 1 324.468 3.222 20 0 DGADMP Oc1ccc(C2=CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001580888342 1192044249 /nfs/dbraw/zinc/04/42/49/1192044249.db2.gz JMTNBXXTEUFBIG-UHFFFAOYSA-N 2 1 320.436 3.327 20 0 DGADMP c1[nH]c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001580891635 1192044463 /nfs/dbraw/zinc/04/44/63/1192044463.db2.gz DJQKLBVNZNSQCC-ROUUACIJSA-N 2 1 324.472 3.288 20 0 DGADMP c1ccc(COCCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001580892682 1192044700 /nfs/dbraw/zinc/04/47/00/1192044700.db2.gz BVHWFPLEJKVBSR-LJQANCHMSA-N 2 1 302.462 3.201 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001580892682 1192044702 /nfs/dbraw/zinc/04/47/02/1192044702.db2.gz BVHWFPLEJKVBSR-LJQANCHMSA-N 2 1 302.462 3.201 20 0 DGADMP c1cc(N[C@H]2CCOC3(CC[NH2+]CC3)C2)[nH+]cc1C1CCC1 ZINC001580891242 1192044719 /nfs/dbraw/zinc/04/47/19/1192044719.db2.gz WGSADSSAWHCGRB-INIZCTEOSA-N 2 1 301.434 3.062 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC001580892364 1192044797 /nfs/dbraw/zinc/04/47/97/1192044797.db2.gz SFQJJLLCIOSVJM-ZRNYENFQSA-N 2 1 314.473 3.275 20 0 DGADMP COc1cc(C)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)n1 ZINC001620724794 1192076697 /nfs/dbraw/zinc/07/66/97/1192076697.db2.gz KBXXXXIDMAODAV-OAHLLOKOSA-N 2 1 319.493 3.309 20 0 DGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001620810725 1192105637 /nfs/dbraw/zinc/10/56/37/1192105637.db2.gz ZBROEXPOMJVFGQ-PMACEKPBSA-N 2 1 316.489 3.039 20 0 DGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001620810725 1192105639 /nfs/dbraw/zinc/10/56/39/1192105639.db2.gz ZBROEXPOMJVFGQ-PMACEKPBSA-N 2 1 316.489 3.039 20 0 DGADMP COCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001620868837 1192492438 /nfs/dbraw/zinc/49/24/38/1192492438.db2.gz RDQCVTFFQGQSPW-IBGZPJMESA-N 2 1 304.478 3.291 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC001620890328 1192557967 /nfs/dbraw/zinc/55/79/67/1192557967.db2.gz IMTNLGFOFVQMRW-WBVHZDCISA-N 2 1 312.461 3.396 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000133120064 1176409485 /nfs/dbraw/zinc/40/94/85/1176409485.db2.gz WDDWLTKZOHZZRQ-OAHLLOKOSA-N 2 1 306.498 3.122 20 0 DGADMP c1cc(-c2ncc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)s2)cs1 ZINC000084654326 1176446351 /nfs/dbraw/zinc/44/63/51/1176446351.db2.gz NLPIWECOHNEEPT-GFCCVEGCSA-N 2 1 319.499 3.446 20 0 DGADMP c1cc(-c2ncc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)s2)cs1 ZINC000084654326 1176446358 /nfs/dbraw/zinc/44/63/58/1176446358.db2.gz NLPIWECOHNEEPT-GFCCVEGCSA-N 2 1 319.499 3.446 20 0 DGADMP Cc1cc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393842144 1176708592 /nfs/dbraw/zinc/70/85/92/1176708592.db2.gz WSEQUOZUUKVTPC-IBGZPJMESA-N 2 1 324.472 3.230 20 0 DGADMP Cc1cc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000393842144 1176708598 /nfs/dbraw/zinc/70/85/98/1176708598.db2.gz WSEQUOZUUKVTPC-IBGZPJMESA-N 2 1 324.472 3.230 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042039 1177092554 /nfs/dbraw/zinc/09/25/54/1177092554.db2.gz YEHMLKQKPXOLBM-GCLMUHHRSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042039 1177092561 /nfs/dbraw/zinc/09/25/61/1177092561.db2.gz YEHMLKQKPXOLBM-GCLMUHHRSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042039 1177092568 /nfs/dbraw/zinc/09/25/68/1177092568.db2.gz YEHMLKQKPXOLBM-GCLMUHHRSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042039 1177092578 /nfs/dbraw/zinc/09/25/78/1177092578.db2.gz YEHMLKQKPXOLBM-GCLMUHHRSA-N 2 1 316.489 3.131 20 0 DGADMP CCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001671679516 1177234842 /nfs/dbraw/zinc/23/48/42/1177234842.db2.gz XOFRZUBXZWEQNA-HKUYNNGSSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+]C1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001752850514 1177298953 /nfs/dbraw/zinc/29/89/53/1177298953.db2.gz GDEZRDFJQQFYJJ-UHFFFAOYSA-N 2 1 323.525 3.066 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)C1CCCCCC1 ZINC001670974394 1177559296 /nfs/dbraw/zinc/55/92/96/1177559296.db2.gz UKDUBBMNLQHLHV-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)C1CCCCCC1 ZINC001670974394 1177559301 /nfs/dbraw/zinc/55/93/01/1177559301.db2.gz UKDUBBMNLQHLHV-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)C1CCCCCC1 ZINC001670974394 1177559308 /nfs/dbraw/zinc/55/93/08/1177559308.db2.gz UKDUBBMNLQHLHV-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC(C)C)c1 ZINC000339071443 1177789115 /nfs/dbraw/zinc/78/91/15/1177789115.db2.gz QGFDYNITUAENGB-ROUUACIJSA-N 2 1 302.462 3.499 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(OC(C)C)c1 ZINC000339071443 1177789126 /nfs/dbraw/zinc/78/91/26/1177789126.db2.gz QGFDYNITUAENGB-ROUUACIJSA-N 2 1 302.462 3.499 20 0 DGADMP Fc1ccc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC001333146593 1178563696 /nfs/dbraw/zinc/56/36/96/1178563696.db2.gz YDRDBTIJNGLAEJ-MRXNPFEDSA-N 2 1 308.416 3.219 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]2C1 ZINC001333840483 1178682972 /nfs/dbraw/zinc/68/29/72/1178682972.db2.gz FXKYMTIQAILYFA-NLWGTHIKSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]2C1 ZINC001333840484 1178683127 /nfs/dbraw/zinc/68/31/27/1178683127.db2.gz FXKYMTIQAILYFA-QWFCFKBJSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cnccc43)C[C@@H]2C1 ZINC001333840053 1178683276 /nfs/dbraw/zinc/68/32/76/1178683276.db2.gz CGZYJMWOJHBDPH-NZSAHSFTSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc4cc(F)ccc4o3)C[C@@H]2C1 ZINC001333840502 1178683430 /nfs/dbraw/zinc/68/34/30/1178683430.db2.gz GKIPUMPLVAESKO-KCQAQPDRSA-N 2 1 317.408 3.129 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2C1 ZINC001333842465 1178683598 /nfs/dbraw/zinc/68/35/98/1178683598.db2.gz RRHKARIDXBSYQO-QWFCFKBJSA-N 2 1 324.472 3.034 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)C[C@H]2C1 ZINC001333891054 1178691986 /nfs/dbraw/zinc/69/19/86/1178691986.db2.gz ISACESLKYGTLRJ-MGPQQGTHSA-N 2 1 322.884 3.103 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001334358247 1178753697 /nfs/dbraw/zinc/75/36/97/1178753697.db2.gz XPQWNJMTHSHLIT-BZSNNMDCSA-N 2 1 318.509 3.243 20 0 DGADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC001334753476 1178790770 /nfs/dbraw/zinc/79/07/70/1178790770.db2.gz FDFZQZWDTAHNDC-KOLCDFICSA-N 2 1 317.296 3.236 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3F)C[C@H]2C1 ZINC001335133075 1178859217 /nfs/dbraw/zinc/85/92/17/1178859217.db2.gz DEACNJACTWVFQR-BFYDXBDKSA-N 2 1 308.416 3.169 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1Br ZINC001335441729 1178911858 /nfs/dbraw/zinc/91/18/58/1178911858.db2.gz RJDHYEBULKUTOQ-OLZOCXBDSA-N 2 1 324.266 3.073 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001335582346 1178934069 /nfs/dbraw/zinc/93/40/69/1178934069.db2.gz LBARRRXIBLDPQS-OKZBNKHCSA-N 2 1 309.457 3.397 20 0 DGADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001335892704 1178967472 /nfs/dbraw/zinc/96/74/72/1178967472.db2.gz QSFCYHTWCBCAQI-IBGZPJMESA-N 2 1 323.440 3.483 20 0 DGADMP Cc1ncc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)o1 ZINC001336077457 1178990208 /nfs/dbraw/zinc/99/02/08/1178990208.db2.gz KRNLFYQWWMRFIQ-MRXNPFEDSA-N 2 1 309.360 3.221 20 0 DGADMP CC[N@H+](Cc1ccc(-c2nnc(C[NH+](C)C)o2)cc1)C(C)C ZINC001341626740 1179040988 /nfs/dbraw/zinc/04/09/88/1179040988.db2.gz YZDYGZNQSAUJGN-UHFFFAOYSA-N 2 1 302.422 3.029 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nnc(C[NH+](C)C)o2)cc1)C(C)C ZINC001341626740 1179040996 /nfs/dbraw/zinc/04/09/96/1179040996.db2.gz YZDYGZNQSAUJGN-UHFFFAOYSA-N 2 1 302.422 3.029 20 0 DGADMP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001342381836 1179135726 /nfs/dbraw/zinc/13/57/26/1179135726.db2.gz XGGPCIQTWPDXRJ-NHYWBVRUSA-N 2 1 311.857 3.104 20 0 DGADMP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC001344366667 1179420856 /nfs/dbraw/zinc/42/08/56/1179420856.db2.gz NVXFGMXWMHGCNX-UHFFFAOYSA-N 2 1 324.472 3.051 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC001345100632 1179526627 /nfs/dbraw/zinc/52/66/27/1179526627.db2.gz SOIXYMLXUAATOB-BZUAXINKSA-N 2 1 312.461 3.130 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC001345605959 1179578389 /nfs/dbraw/zinc/57/83/89/1179578389.db2.gz MOSZCBAOHLIDNJ-JKSUJKDBSA-N 2 1 323.868 3.131 20 0 DGADMP CC(C)(C)c1csc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)n1 ZINC001350958492 1180150531 /nfs/dbraw/zinc/15/05/31/1180150531.db2.gz UFEIPXHXKZKXPE-CYBMUJFWSA-N 2 1 307.507 3.247 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)CC1 ZINC001351400545 1180208780 /nfs/dbraw/zinc/20/87/80/1180208780.db2.gz VJXJKRSTUAKYDY-LMDPOFIKSA-N 2 1 302.462 3.150 20 0 DGADMP CC[C@H]1CCC[C@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001200244305 1180480787 /nfs/dbraw/zinc/48/07/87/1180480787.db2.gz RHMVSCCCTDZPJV-HKUYNNGSSA-N 2 1 309.542 3.066 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001200822551 1180939851 /nfs/dbraw/zinc/93/98/51/1180939851.db2.gz ULCZVKOSZPTZDX-ROUUACIJSA-N 2 1 302.462 3.438 20 0 DGADMP FC(F)(F)CCC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001355243495 1181018933 /nfs/dbraw/zinc/01/89/33/1181018933.db2.gz JCXHHWFSIXYKEW-INIZCTEOSA-N 2 1 314.395 3.483 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc(Cl)n1 ZINC001355372990 1181046092 /nfs/dbraw/zinc/04/60/92/1181046092.db2.gz HURLYIBMJSPDOI-JYJNAYRXSA-N 2 1 307.869 3.206 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@H]2C1 ZINC001651697957 1195497484 /nfs/dbraw/zinc/49/74/84/1195497484.db2.gz LZCFXSJZFWWEMS-SDDRHHMPSA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccsc3C(F)(F)F)[C@H]2C1 ZINC001651697957 1195497490 /nfs/dbraw/zinc/49/74/90/1195497490.db2.gz LZCFXSJZFWWEMS-SDDRHHMPSA-N 2 1 304.381 3.197 20 0 DGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001364324343 1181678666 /nfs/dbraw/zinc/67/86/66/1181678666.db2.gz URZHUHXUXOHNBJ-UHFFFAOYSA-N 2 1 313.445 3.245 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001364324343 1181678672 /nfs/dbraw/zinc/67/86/72/1181678672.db2.gz URZHUHXUXOHNBJ-UHFFFAOYSA-N 2 1 313.445 3.245 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)[C@H](C)C1 ZINC001413959377 1181754658 /nfs/dbraw/zinc/75/46/58/1181754658.db2.gz BIEQMGUIAUSRTD-RDTXWAMCSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@H](C)C1 ZINC001413959377 1181754665 /nfs/dbraw/zinc/75/46/65/1181754665.db2.gz BIEQMGUIAUSRTD-RDTXWAMCSA-N 2 1 313.445 3.103 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)[C@H](C)C1 ZINC001413959377 1181754668 /nfs/dbraw/zinc/75/46/68/1181754668.db2.gz BIEQMGUIAUSRTD-RDTXWAMCSA-N 2 1 313.445 3.103 20 0 DGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH+](C)C(C)C ZINC001459347935 1182581907 /nfs/dbraw/zinc/58/19/07/1182581907.db2.gz GMDGOQOKEOHAFY-HXUWFJFHSA-N 2 1 314.473 3.363 20 0 DGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH+](C)C(C)C ZINC001459347935 1182581910 /nfs/dbraw/zinc/58/19/10/1182581910.db2.gz GMDGOQOKEOHAFY-HXUWFJFHSA-N 2 1 314.473 3.363 20 0 DGADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@H](O)C[N@H+](C)C(C)C ZINC001459347935 1182581913 /nfs/dbraw/zinc/58/19/13/1182581913.db2.gz GMDGOQOKEOHAFY-HXUWFJFHSA-N 2 1 314.473 3.363 20 0 DGADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC001459347935 1182581918 /nfs/dbraw/zinc/58/19/18/1182581918.db2.gz GMDGOQOKEOHAFY-HXUWFJFHSA-N 2 1 314.473 3.363 20 0 DGADMP CC(C)[C@@](O)(C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC001459586414 1182596853 /nfs/dbraw/zinc/59/68/53/1182596853.db2.gz TZUNDPGWWGGTRL-PMACEKPBSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@@](O)(C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001459586414 1182596855 /nfs/dbraw/zinc/59/68/55/1182596855.db2.gz TZUNDPGWWGGTRL-PMACEKPBSA-N 2 1 318.505 3.336 20 0 DGADMP CC(C)[C@@](O)(C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001459586414 1182596859 /nfs/dbraw/zinc/59/68/59/1182596859.db2.gz TZUNDPGWWGGTRL-PMACEKPBSA-N 2 1 318.505 3.336 20 0 DGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001459817162 1182619735 /nfs/dbraw/zinc/61/97/35/1182619735.db2.gz HJHQRNXVNQXSOC-GOSISDBHSA-N 2 1 324.509 3.162 20 0 DGADMP CC[N@H+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC001460091334 1182650580 /nfs/dbraw/zinc/65/05/80/1182650580.db2.gz VGSFDTYWXNAXOD-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC[C@H]2CCOC2)CC1 ZINC001460627751 1182702756 /nfs/dbraw/zinc/70/27/56/1182702756.db2.gz QZVBJHDKDPPFLD-OALUTQOASA-N 2 1 308.510 3.390 20 0 DGADMP CN(C)c1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001460694136 1182708946 /nfs/dbraw/zinc/70/89/46/1182708946.db2.gz UVCURUSTCFSUTE-UHFFFAOYSA-N 2 1 303.494 3.451 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCN1c1cc[nH+]cc1 ZINC001460706620 1182710803 /nfs/dbraw/zinc/71/08/03/1182710803.db2.gz HVTDFLGRVDMIHB-CQSZACIVSA-N 2 1 309.404 3.418 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCc2c1cccc2F ZINC001460802804 1182724960 /nfs/dbraw/zinc/72/49/60/1182724960.db2.gz UYZUAZSDXWCRJP-AUUYWEPGSA-N 2 1 311.404 3.419 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C2 ZINC001461007061 1182755167 /nfs/dbraw/zinc/75/51/67/1182755167.db2.gz LOTWADQVIAUHNG-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc2ccc(Cl)cn12)C[NH+]1CCCCC1 ZINC001461086191 1182765188 /nfs/dbraw/zinc/76/51/88/1182765188.db2.gz SDKCJOOEPDYFIG-CQSZACIVSA-N 2 1 320.868 3.199 20 0 DGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)COCc1ccccc1 ZINC001461129241 1182772006 /nfs/dbraw/zinc/77/20/06/1182772006.db2.gz VNULKCKVBHIMQJ-MRXNPFEDSA-N 2 1 313.445 3.090 20 0 DGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC001461182680 1182779194 /nfs/dbraw/zinc/77/91/94/1182779194.db2.gz QIGZWPBRAKLORF-IAGOWNOFSA-N 2 1 302.462 3.407 20 0 DGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC001461182680 1182779201 /nfs/dbraw/zinc/77/92/01/1182779201.db2.gz QIGZWPBRAKLORF-IAGOWNOFSA-N 2 1 302.462 3.407 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC001461362979 1182800042 /nfs/dbraw/zinc/80/00/42/1182800042.db2.gz ZRYKHUWPDRVTOV-SFHVURJKSA-N 2 1 311.429 3.323 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001461425334 1182810485 /nfs/dbraw/zinc/81/04/85/1182810485.db2.gz CZXSHXWQUHUPPG-YWTNHNAXSA-N 2 1 308.510 3.434 20 0 DGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001461425331 1182811497 /nfs/dbraw/zinc/81/14/97/1182811497.db2.gz CZXSHXWQUHUPPG-MJQMVNBJSA-N 2 1 308.510 3.434 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCCC1 ZINC001461422605 1182811620 /nfs/dbraw/zinc/81/16/20/1182811620.db2.gz BVOZJRJAFZHHLC-UHFFFAOYSA-N 2 1 320.868 3.199 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cscc3C(F)(F)F)[C@@H]2C1 ZINC001461829620 1182864149 /nfs/dbraw/zinc/86/41/49/1182864149.db2.gz MPKFFLMYTXAUGJ-NDMJEZRESA-N 2 1 304.381 3.197 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cscc3C(F)(F)F)[C@@H]2C1 ZINC001461829620 1182864161 /nfs/dbraw/zinc/86/41/61/1182864161.db2.gz MPKFFLMYTXAUGJ-NDMJEZRESA-N 2 1 304.381 3.197 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC001461882551 1182868799 /nfs/dbraw/zinc/86/87/99/1182868799.db2.gz SHYATTOJGPQZER-UHFFFAOYSA-N 2 1 308.441 3.258 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)ccc2O1 ZINC001462155750 1182916526 /nfs/dbraw/zinc/91/65/26/1182916526.db2.gz OMCPYRSZNQTQNN-INIZCTEOSA-N 2 1 314.473 3.318 20 0 DGADMP COC1CC(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001462225918 1182926442 /nfs/dbraw/zinc/92/64/42/1182926442.db2.gz ODYNDTJAVYBSPA-SOAGJPPSSA-N 2 1 314.473 3.009 20 0 DGADMP COC1CC(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001462225918 1182926445 /nfs/dbraw/zinc/92/64/45/1182926445.db2.gz ODYNDTJAVYBSPA-SOAGJPPSSA-N 2 1 314.473 3.009 20 0 DGADMP COC1CC(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001462225918 1182926458 /nfs/dbraw/zinc/92/64/58/1182926458.db2.gz ODYNDTJAVYBSPA-SOAGJPPSSA-N 2 1 314.473 3.009 20 0 DGADMP CC[C@](C)(C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)OC ZINC001462224873 1182926741 /nfs/dbraw/zinc/92/67/41/1182926741.db2.gz JNTIPLFYBDVNNW-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@](C)(C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC001462224873 1182926743 /nfs/dbraw/zinc/92/67/43/1182926743.db2.gz JNTIPLFYBDVNNW-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@](C)(C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC001462224873 1182926747 /nfs/dbraw/zinc/92/67/47/1182926747.db2.gz JNTIPLFYBDVNNW-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COc1cccc2c(C[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)cccc12 ZINC001462520563 1182963278 /nfs/dbraw/zinc/96/32/78/1182963278.db2.gz FCOCVZASHPWDNL-QFBILLFUSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cccc12 ZINC001462520563 1182963283 /nfs/dbraw/zinc/96/32/83/1182963283.db2.gz FCOCVZASHPWDNL-QFBILLFUSA-N 2 1 310.441 3.374 20 0 DGADMP COc1cccc2c(C[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cccc12 ZINC001462520563 1182963288 /nfs/dbraw/zinc/96/32/88/1182963288.db2.gz FCOCVZASHPWDNL-QFBILLFUSA-N 2 1 310.441 3.374 20 0 DGADMP C[N@@H+](CCCNc1cc[nH+]cc1C(F)(F)F)Cc1ccccc1 ZINC001472644312 1183660662 /nfs/dbraw/zinc/66/06/62/1183660662.db2.gz ZQULWPGRXYNJFV-UHFFFAOYSA-N 2 1 323.362 3.456 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC23CCOCC3)[C@@H](C)C1 ZINC001473228512 1183733880 /nfs/dbraw/zinc/73/38/80/1183733880.db2.gz SZDNTXYHWWSGBY-BZSNNMDCSA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC23CCOCC3)[C@@H](C)C1 ZINC001473228512 1183733883 /nfs/dbraw/zinc/73/38/83/1183733883.db2.gz SZDNTXYHWWSGBY-BZSNNMDCSA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC23CCOCC3)[C@@H](C)C1 ZINC001473228512 1183733886 /nfs/dbraw/zinc/73/38/86/1183733886.db2.gz SZDNTXYHWWSGBY-BZSNNMDCSA-N 2 1 308.510 3.245 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC001473333391 1183744626 /nfs/dbraw/zinc/74/46/26/1183744626.db2.gz ZQZIPVRWNCDHAZ-MJGOQNOKSA-N 2 1 306.494 3.373 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC001473333391 1183744629 /nfs/dbraw/zinc/74/46/29/1183744629.db2.gz ZQZIPVRWNCDHAZ-MJGOQNOKSA-N 2 1 306.494 3.373 20 0 DGADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001473326148 1183745279 /nfs/dbraw/zinc/74/52/79/1183745279.db2.gz CNIIYFNFRYHGEP-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C ZINC001473326148 1183745281 /nfs/dbraw/zinc/74/52/81/1183745281.db2.gz CNIIYFNFRYHGEP-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C ZINC001473326148 1183745284 /nfs/dbraw/zinc/74/52/84/1183745284.db2.gz CNIIYFNFRYHGEP-QZTJIDSGSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001473533696 1183770946 /nfs/dbraw/zinc/77/09/46/1183770946.db2.gz YOVHEZAKNHVJMC-NZSAHSFTSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001473533696 1183770947 /nfs/dbraw/zinc/77/09/47/1183770947.db2.gz YOVHEZAKNHVJMC-NZSAHSFTSA-N 2 1 304.478 3.038 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@]1(CO)CC[C@H](C)c2ccccc21 ZINC001473884711 1183819023 /nfs/dbraw/zinc/81/90/23/1183819023.db2.gz AALZSMNSJFJZRB-QFBILLFUSA-N 2 1 304.478 3.093 20 0 DGADMP C[C@H](C[NH2+]Cc1cnc([C@@H]2CCCO2)s1)C[NH+]1CCCCC1 ZINC001473949064 1183835753 /nfs/dbraw/zinc/83/57/53/1183835753.db2.gz LUGVYHRAUBWLIZ-ZBFHGGJFSA-N 2 1 323.506 3.206 20 0 DGADMP CCCOc1c(C[NH2+]CCn2cc[nH+]c2C)cccc1OCC ZINC001473966417 1183840077 /nfs/dbraw/zinc/84/00/77/1183840077.db2.gz JYGDUVTZZVNCLW-UHFFFAOYSA-N 2 1 317.433 3.169 20 0 DGADMP CCCn1cncc1C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC001473988135 1183843506 /nfs/dbraw/zinc/84/35/06/1183843506.db2.gz CSBVQYULSUIYDL-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC001474018847 1183850930 /nfs/dbraw/zinc/85/09/30/1183850930.db2.gz HFAXPYDABRIBGK-NVXWUHKLSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC001474018847 1183850934 /nfs/dbraw/zinc/85/09/34/1183850934.db2.gz HFAXPYDABRIBGK-NVXWUHKLSA-N 2 1 318.490 3.137 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1ccncc1 ZINC001474064616 1183860154 /nfs/dbraw/zinc/86/01/54/1183860154.db2.gz OYKAJSADENLJTP-UHFFFAOYSA-N 2 1 311.473 3.372 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001474167357 1183876138 /nfs/dbraw/zinc/87/61/38/1183876138.db2.gz CVMBYOBGVHWGCL-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001474167357 1183876148 /nfs/dbraw/zinc/87/61/48/1183876148.db2.gz CVMBYOBGVHWGCL-BJLQDIEVSA-N 2 1 317.521 3.217 20 0 DGADMP FC1(F)[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC001474259113 1183891603 /nfs/dbraw/zinc/89/16/03/1183891603.db2.gz YWTJQVQQKRONKR-MWDXBVQZSA-N 2 1 306.400 3.252 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001474302870 1183901338 /nfs/dbraw/zinc/90/13/38/1183901338.db2.gz JAZMEGYWIRJZQI-VNQPRFMTSA-N 2 1 323.278 3.187 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001474302867 1183901415 /nfs/dbraw/zinc/90/14/15/1183901415.db2.gz JAZMEGYWIRJZQI-CWRNSKLLSA-N 2 1 323.278 3.187 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001474503283 1183932120 /nfs/dbraw/zinc/93/21/20/1183932120.db2.gz JYCMFBPZRFZXHA-QGZVFWFLSA-N 2 1 301.478 3.282 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1C(C)=CCC[C@H]1C ZINC001474660843 1183957415 /nfs/dbraw/zinc/95/74/15/1183957415.db2.gz VICOCUPIZPDMDN-MJGOQNOKSA-N 2 1 308.510 3.269 20 0 DGADMP C[C@H](CCO)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001474698197 1183964566 /nfs/dbraw/zinc/96/45/66/1183964566.db2.gz NYPBGUIDCISLTD-QGZVFWFLSA-N 2 1 304.478 3.182 20 0 DGADMP C[C@H](CCO)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001474698197 1183964570 /nfs/dbraw/zinc/96/45/70/1183964570.db2.gz NYPBGUIDCISLTD-QGZVFWFLSA-N 2 1 304.478 3.182 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC001474757767 1183973822 /nfs/dbraw/zinc/97/38/22/1183973822.db2.gz ZMDMDYYMSYBIMN-JDFRZJQESA-N 2 1 310.844 3.342 20 0 DGADMP CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480695937 1184578599 /nfs/dbraw/zinc/57/85/99/1184578599.db2.gz RKQONJIXCWHQLL-JKSUJKDBSA-N 2 1 323.525 3.066 20 0 DGADMP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001498353354 1185475076 /nfs/dbraw/zinc/47/50/76/1185475076.db2.gz URIGWZQWRVTBJH-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498353354 1185475080 /nfs/dbraw/zinc/47/50/80/1185475080.db2.gz URIGWZQWRVTBJH-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498353354 1185475082 /nfs/dbraw/zinc/47/50/82/1185475082.db2.gz URIGWZQWRVTBJH-KRWDZBQOSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001506563691 1186251592 /nfs/dbraw/zinc/25/15/92/1186251592.db2.gz YUGDOVPDJCPOKL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001506563691 1186251595 /nfs/dbraw/zinc/25/15/95/1186251595.db2.gz YUGDOVPDJCPOKL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506563691 1186251602 /nfs/dbraw/zinc/25/16/02/1186251602.db2.gz YUGDOVPDJCPOKL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001506563691 1186251605 /nfs/dbraw/zinc/25/16/05/1186251605.db2.gz YUGDOVPDJCPOKL-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCO1 ZINC001549180336 1186699525 /nfs/dbraw/zinc/69/95/25/1186699525.db2.gz QLFOSMNBOGLAAD-NEWSRXKRSA-N 2 1 308.510 3.149 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC001615422778 1193521848 /nfs/dbraw/zinc/52/18/48/1193521848.db2.gz LBVCUBXKNPGRKM-GOSISDBHSA-N 2 1 324.509 3.114 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001615674622 1193525739 /nfs/dbraw/zinc/52/57/39/1193525739.db2.gz SKIVUKFPHHFMOB-ROUUACIJSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC001615988256 1193531452 /nfs/dbraw/zinc/53/14/52/1193531452.db2.gz AHCKNKLJVRGVPG-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988256 1193531453 /nfs/dbraw/zinc/53/14/53/1193531453.db2.gz AHCKNKLJVRGVPG-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001615988256 1193531455 /nfs/dbraw/zinc/53/14/55/1193531455.db2.gz AHCKNKLJVRGVPG-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001615988256 1193531457 /nfs/dbraw/zinc/53/14/57/1193531457.db2.gz AHCKNKLJVRGVPG-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001615988256 1193531458 /nfs/dbraw/zinc/53/14/58/1193531458.db2.gz AHCKNKLJVRGVPG-YSIASYRMSA-N 2 1 318.505 3.380 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC001616382364 1193537354 /nfs/dbraw/zinc/53/73/54/1193537354.db2.gz KEBWIZFIFKATQG-MOPGFXCFSA-N 2 1 304.478 3.210 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001617197760 1193561784 /nfs/dbraw/zinc/56/17/84/1193561784.db2.gz CQXNGTLJMHWBMV-IKGGRYGDSA-N 2 1 308.416 3.451 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001549087468 1188492737 /nfs/dbraw/zinc/49/27/37/1188492737.db2.gz MBYANZCSEQHVHL-UYAOXDASSA-N 2 1 307.441 3.309 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC001549087696 1188493711 /nfs/dbraw/zinc/49/37/11/1188493711.db2.gz XWMQOLLEBQNUPX-MLGOLLRUSA-N 2 1 319.499 3.432 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cnc(-c3cccs3)s1)C2 ZINC001549087696 1188493714 /nfs/dbraw/zinc/49/37/14/1188493714.db2.gz XWMQOLLEBQNUPX-MLGOLLRUSA-N 2 1 319.499 3.432 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087588 1188493775 /nfs/dbraw/zinc/49/37/75/1188493775.db2.gz SPIYVGCXPVDZAN-YLJYHZDGSA-N 2 1 324.472 3.050 20 0 DGADMP c1ccc([C@@H]2C[C@@H]3[C@@H](CCC[N@@H+]3CCC3CC[NH2+]CC3)O2)cc1 ZINC001549112970 1188496076 /nfs/dbraw/zinc/49/60/76/1188496076.db2.gz MLWOPQFUFVYSIG-AQNXPRMDSA-N 2 1 314.473 3.371 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549116796 1188497096 /nfs/dbraw/zinc/49/70/96/1188497096.db2.gz OTIOYMBFCFWPJM-PBHICJAKSA-N 2 1 317.458 3.272 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549116796 1188497098 /nfs/dbraw/zinc/49/70/98/1188497098.db2.gz OTIOYMBFCFWPJM-PBHICJAKSA-N 2 1 317.458 3.272 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1CCC[C@H](c2cncn2C)C1 ZINC001550059520 1188576460 /nfs/dbraw/zinc/57/64/60/1188576460.db2.gz UDXNWJSOAGWWBF-AWEZNQCLSA-N 2 1 317.408 3.338 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001550241545 1188597503 /nfs/dbraw/zinc/59/75/03/1188597503.db2.gz GWTSHHLGLUNHOX-IYWMVGAKSA-N 2 1 316.489 3.269 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H]3CCC(C)(C)C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550351925 1188608878 /nfs/dbraw/zinc/60/88/78/1188608878.db2.gz FJFQNMNOCKGBOI-KMOPNRPKSA-N 2 1 308.510 3.025 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(C)o1 ZINC001550352121 1188608931 /nfs/dbraw/zinc/60/89/31/1188608931.db2.gz MTJRWYLVVORKFT-QFHLCROWSA-N 2 1 320.477 3.027 20 0 DGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC001550352326 1188609135 /nfs/dbraw/zinc/60/91/35/1188609135.db2.gz BKVCNCGOUQEXPC-BPQIPLTHSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001550352326 1188609137 /nfs/dbraw/zinc/60/91/37/1188609137.db2.gz BKVCNCGOUQEXPC-BPQIPLTHSA-N 2 1 324.472 3.384 20 0 DGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001550352326 1188609140 /nfs/dbraw/zinc/60/91/40/1188609140.db2.gz BKVCNCGOUQEXPC-BPQIPLTHSA-N 2 1 324.472 3.384 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 ZINC001550350162 1188609200 /nfs/dbraw/zinc/60/92/00/1188609200.db2.gz JLLVQELFSFDQLL-OSRSDYAFSA-N 2 1 308.853 3.229 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCC[C@H](C)C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353599 1188609779 /nfs/dbraw/zinc/60/97/79/1188609779.db2.gz MGNFYDOJQXLHPV-OXKKCRRXSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3ccsc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550355813 1188610354 /nfs/dbraw/zinc/61/03/54/1188610354.db2.gz SAXHAMWDTRJMTJ-LHKMKVQPSA-N 2 1 322.518 3.269 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC001550699743 1188642613 /nfs/dbraw/zinc/64/26/13/1188642613.db2.gz DYRMAMQGZVLLGW-GBESFXJTSA-N 2 1 314.473 3.023 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)o3)C[C@@H]2C1 ZINC001551259541 1188721943 /nfs/dbraw/zinc/72/19/43/1188721943.db2.gz GJWDRWLXVJTZFA-RWMBFGLXSA-N 2 1 316.367 3.461 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3F)C[C@H]2C1 ZINC001551263502 1188723355 /nfs/dbraw/zinc/72/33/55/1188723355.db2.gz WPVCZQNIFRYINN-IACUBPJLSA-N 2 1 311.832 3.036 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)o3)C[C@H]2C1 ZINC001551280800 1188724730 /nfs/dbraw/zinc/72/47/30/1188724730.db2.gz NNNVPZNUSKNYJQ-BRWVUGGUSA-N 2 1 317.477 3.042 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3COCC[C@@H]32)cc(C[NH+]2CCCCC2)c1 ZINC001551391994 1188735036 /nfs/dbraw/zinc/73/50/36/1188735036.db2.gz SHTSUIILLKIYSE-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@H]2COCC[C@@H]21 ZINC001551391830 1188735174 /nfs/dbraw/zinc/73/51/74/1188735174.db2.gz RXYILGLKXUDIFY-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCC2 ZINC001552080777 1188816699 /nfs/dbraw/zinc/81/66/99/1188816699.db2.gz VGMCJBNYYYWZBI-GYFISPQKSA-N 2 1 314.473 3.273 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)ccc1C[NH+]1CCCCC1 ZINC001552154203 1188820080 /nfs/dbraw/zinc/82/00/80/1188820080.db2.gz DUTGSMJGBCYXAC-VQTJNVASSA-N 2 1 314.473 3.283 20 0 DGADMP OCCC1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001552339396 1188837681 /nfs/dbraw/zinc/83/76/81/1188837681.db2.gz LOMBAWSSJRYGRO-AWRGBYNESA-N 2 1 302.462 3.011 20 0 DGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001552895201 1188881000 /nfs/dbraw/zinc/88/10/00/1188881000.db2.gz CEKXHJGFZQSKMT-XDLUSNJSSA-N 2 1 314.473 3.499 20 0 DGADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552928684 1188883125 /nfs/dbraw/zinc/88/31/25/1188883125.db2.gz DHWIFKUVTQSIPP-FGTMMUONSA-N 2 1 306.494 3.190 20 0 DGADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001553025812 1188890976 /nfs/dbraw/zinc/89/09/76/1188890976.db2.gz PBDZUBQFWRVGDB-QYZOEREBSA-N 3 1 319.537 3.199 20 0 DGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001553864480 1188952438 /nfs/dbraw/zinc/95/24/38/1188952438.db2.gz FFBMAVXTWMRREC-INIZCTEOSA-N 2 1 308.429 3.291 20 0 DGADMP C[N@H+]1CCC[C@H]1CS[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001559429450 1189204388 /nfs/dbraw/zinc/20/43/88/1189204388.db2.gz TUPJKDZZJJLDFO-ZWKOTPCHSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@H]1CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001559429450 1189204392 /nfs/dbraw/zinc/20/43/92/1189204392.db2.gz TUPJKDZZJJLDFO-ZWKOTPCHSA-N 2 1 304.503 3.478 20 0 DGADMP C[NH+]1CCC[C@H]1CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559429450 1189204398 /nfs/dbraw/zinc/20/43/98/1189204398.db2.gz TUPJKDZZJJLDFO-ZWKOTPCHSA-N 2 1 304.503 3.478 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567997 1189218488 /nfs/dbraw/zinc/21/84/88/1189218488.db2.gz OMNIAZRFGGTZSQ-RRFJBIMHSA-N 2 1 322.415 3.293 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567997 1189218492 /nfs/dbraw/zinc/21/84/92/1189218492.db2.gz OMNIAZRFGGTZSQ-RRFJBIMHSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567997 1189218495 /nfs/dbraw/zinc/21/84/95/1189218495.db2.gz OMNIAZRFGGTZSQ-RRFJBIMHSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001559567997 1189218497 /nfs/dbraw/zinc/21/84/97/1189218497.db2.gz OMNIAZRFGGTZSQ-RRFJBIMHSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC001559945858 1189260541 /nfs/dbraw/zinc/26/05/41/1189260541.db2.gz FUYCKNRIFGPOCK-SFHVURJKSA-N 2 1 324.896 3.051 20 0 DGADMP CCO[C@H](C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001560069328 1189275696 /nfs/dbraw/zinc/27/56/96/1189275696.db2.gz PZFOIPDEOHPYEI-RTBURBONSA-N 2 1 308.510 3.388 20 0 DGADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102064 1189278011 /nfs/dbraw/zinc/27/80/11/1189278011.db2.gz CKAYPTKFHFNVEM-RTBURBONSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102064 1189278016 /nfs/dbraw/zinc/27/80/16/1189278016.db2.gz CKAYPTKFHFNVEM-RTBURBONSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102064 1189278018 /nfs/dbraw/zinc/27/80/18/1189278018.db2.gz CKAYPTKFHFNVEM-RTBURBONSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102064 1189278021 /nfs/dbraw/zinc/27/80/21/1189278021.db2.gz CKAYPTKFHFNVEM-RTBURBONSA-N 2 1 316.489 3.018 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CCN1c1cc[nH+]cc1 ZINC001560109091 1189279873 /nfs/dbraw/zinc/27/98/73/1189279873.db2.gz SRCPLUUINARONE-INIZCTEOSA-N 2 1 307.441 3.281 20 0 DGADMP CCC[N@@H+](C[C@H](C)OC)C1CCN(Cc2ccccc2)CC1 ZINC001560218933 1189292731 /nfs/dbraw/zinc/29/27/31/1189292731.db2.gz CODJSBIROXMLTC-KRWDZBQOSA-N 2 1 304.478 3.398 20 0 DGADMP CCCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC001560268187 1189302352 /nfs/dbraw/zinc/30/23/52/1189302352.db2.gz XYCRHILQVDHSPD-UHFFFAOYSA-N 2 1 314.477 3.423 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC001560282773 1189304869 /nfs/dbraw/zinc/30/48/69/1189304869.db2.gz DZODFZHGFQNWGF-KRWDZBQOSA-N 2 1 303.494 3.492 20 0 DGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001560336525 1189313298 /nfs/dbraw/zinc/31/32/98/1189313298.db2.gz RXVYRSFDKMCQNB-QRVBRYPASA-N 2 1 310.526 3.418 20 0 DGADMP CCCn1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC001560435193 1189328112 /nfs/dbraw/zinc/32/81/12/1189328112.db2.gz ANSQTZVAMJOUJX-NVXWUHKLSA-N 2 1 318.509 3.344 20 0 DGADMP CCCn1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC001560435193 1189328117 /nfs/dbraw/zinc/32/81/17/1189328117.db2.gz ANSQTZVAMJOUJX-NVXWUHKLSA-N 2 1 318.509 3.344 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC001560657477 1189357333 /nfs/dbraw/zinc/35/73/33/1189357333.db2.gz NZGUJQDORMRMQS-ZIFCJYIRSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC001560657477 1189357336 /nfs/dbraw/zinc/35/73/36/1189357336.db2.gz NZGUJQDORMRMQS-ZIFCJYIRSA-N 2 1 308.510 3.388 20 0 DGADMP CO[C@](C)(C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC001560657477 1189357340 /nfs/dbraw/zinc/35/73/40/1189357340.db2.gz NZGUJQDORMRMQS-ZIFCJYIRSA-N 2 1 308.510 3.388 20 0 DGADMP C[N@@H+](Cc1ccc2scnc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001560826967 1189389429 /nfs/dbraw/zinc/38/94/29/1189389429.db2.gz CJODKEQKXJTXCN-YIONKMFJSA-N 2 1 301.459 3.353 20 0 DGADMP C[NH+](Cc1ccc2scnc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001560826967 1189389434 /nfs/dbraw/zinc/38/94/34/1189389434.db2.gz CJODKEQKXJTXCN-YIONKMFJSA-N 2 1 301.459 3.353 20 0 DGADMP C[NH+]1CCC(C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C)CC1 ZINC001560942769 1189408532 /nfs/dbraw/zinc/40/85/32/1189408532.db2.gz GLXZCNQGHCZPQN-UHFFFAOYSA-N 2 1 312.498 3.018 20 0 DGADMP COCCCC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCC1 ZINC001560987683 1189415991 /nfs/dbraw/zinc/41/59/91/1189415991.db2.gz UOIRDIDUIFWSDG-QGZVFWFLSA-N 2 1 317.477 3.189 20 0 DGADMP COc1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)c1OC ZINC001561051762 1189427667 /nfs/dbraw/zinc/42/76/67/1189427667.db2.gz IBWFMPSKDREIJV-UHFFFAOYSA-N 2 1 320.477 3.365 20 0 DGADMP COc1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)c1OC ZINC001561051762 1189427669 /nfs/dbraw/zinc/42/76/69/1189427669.db2.gz IBWFMPSKDREIJV-UHFFFAOYSA-N 2 1 320.477 3.365 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(C)c1 ZINC001561053115 1189428065 /nfs/dbraw/zinc/42/80/65/1189428065.db2.gz SLFORSQVIFNTDI-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c(C)c1 ZINC001561053115 1189428067 /nfs/dbraw/zinc/42/80/67/1189428067.db2.gz SLFORSQVIFNTDI-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP COc1ccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c(C)c1 ZINC001561053115 1189428069 /nfs/dbraw/zinc/42/80/69/1189428069.db2.gz SLFORSQVIFNTDI-BGYRXZFFSA-N 2 1 314.473 3.311 20 0 DGADMP C[N@@H+](CC(=O)Nc1cccc2c1C[NH+](C1CC1)C2)CC(C)(C)C ZINC001567190587 1190059755 /nfs/dbraw/zinc/05/97/55/1190059755.db2.gz FGWWVNOBOWPRRD-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP C[NH+](CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)CC(C)(C)C ZINC001567190587 1190059759 /nfs/dbraw/zinc/05/97/59/1190059759.db2.gz FGWWVNOBOWPRRD-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP C[NH+](CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)CC(C)(C)C ZINC001567190587 1190059763 /nfs/dbraw/zinc/05/97/63/1190059763.db2.gz FGWWVNOBOWPRRD-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001569518294 1190712232 /nfs/dbraw/zinc/71/22/32/1190712232.db2.gz DRWYHBDFZJNTRI-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC001574130050 1191441845 /nfs/dbraw/zinc/44/18/45/1191441845.db2.gz XOGMGPSYOHTSBJ-KRWDZBQOSA-N 2 1 317.477 3.001 20 0 DGADMP CC(C)(C)OCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001575248960 1191469739 /nfs/dbraw/zinc/46/97/39/1191469739.db2.gz DHKFXJFFGZWEON-QZTJIDSGSA-N 2 1 304.478 3.317 20 0 DGADMP CC(C)(C)c1ncc(C[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC001575284121 1191473409 /nfs/dbraw/zinc/47/34/09/1191473409.db2.gz GGZTUJLEORFTPN-UHFFFAOYSA-N 2 1 304.482 3.115 20 0 DGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001575423472 1191480806 /nfs/dbraw/zinc/48/08/06/1191480806.db2.gz UVMAQPMQUNOSMJ-HUUCEWRRSA-N 2 1 321.534 3.432 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001575453545 1191484110 /nfs/dbraw/zinc/48/41/10/1191484110.db2.gz RKMNODCGSZRUJX-PMACEKPBSA-N 2 1 314.473 3.048 20 0 DGADMP CC(C)[C@@H]1[N@H+](Cc2nc3c(s2)C[NH2+]CC3)CC12CCCC2 ZINC001575521786 1191488678 /nfs/dbraw/zinc/48/86/78/1191488678.db2.gz UMHXFXZVRVEXCA-INIZCTEOSA-N 2 1 305.491 3.189 20 0 DGADMP CC(C)[C@@H]1[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)CC12CCCC2 ZINC001575521786 1191488684 /nfs/dbraw/zinc/48/86/84/1191488684.db2.gz UMHXFXZVRVEXCA-INIZCTEOSA-N 2 1 305.491 3.189 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC001575656377 1191500688 /nfs/dbraw/zinc/50/06/88/1191500688.db2.gz XVKCZTALSBEOMN-IEBWSBKVSA-N 2 1 301.478 3.244 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001575699963 1191503556 /nfs/dbraw/zinc/50/35/56/1191503556.db2.gz LFSZEFARUMARRM-ROUUACIJSA-N 2 1 307.526 3.233 20 0 DGADMP CC(C)O[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001575741640 1191505544 /nfs/dbraw/zinc/50/55/44/1191505544.db2.gz VHXRBHOVAXHZSQ-GOSISDBHSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]([NH2+]C1(C[NH2+]CC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC001576234845 1191545011 /nfs/dbraw/zinc/54/50/11/1191545011.db2.gz AGEROYKQEAXXEI-KRWDZBQOSA-N 3 1 315.505 3.239 20 0 DGADMP CC(C)n1c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nc2ccccc21 ZINC001576250719 1191548087 /nfs/dbraw/zinc/54/80/87/1191548087.db2.gz HVOAEIKVIMBMNQ-CABCVRRESA-N 2 1 300.450 3.095 20 0 DGADMP C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC001576314922 1191559236 /nfs/dbraw/zinc/55/92/36/1191559236.db2.gz HXQYOPFFMDFDMY-VXGBXAGGSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC001576314922 1191559241 /nfs/dbraw/zinc/55/92/41/1191559241.db2.gz HXQYOPFFMDFDMY-VXGBXAGGSA-N 2 1 306.841 3.209 20 0 DGADMP C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC001576314922 1191559249 /nfs/dbraw/zinc/55/92/49/1191559249.db2.gz HXQYOPFFMDFDMY-VXGBXAGGSA-N 2 1 306.841 3.209 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)[NH2+]C1 ZINC001576420927 1191603215 /nfs/dbraw/zinc/60/32/15/1191603215.db2.gz BYKMOBIJDZOPKW-FGTMMUONSA-N 2 1 308.510 3.340 20 0 DGADMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC001618815731 1193752981 /nfs/dbraw/zinc/75/29/81/1193752981.db2.gz CYNPFEGIDJLKFP-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C[C@]2(C)CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC001620467396 1193770957 /nfs/dbraw/zinc/77/09/57/1193770957.db2.gz WMKUMEKHNIPMKX-UXHICEINSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@]2(C)CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467396 1193770960 /nfs/dbraw/zinc/77/09/60/1193770960.db2.gz WMKUMEKHNIPMKX-UXHICEINSA-N 2 1 318.505 3.093 20 0 DGADMP Cc1ccc(C[C@]2(C)CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC001620467396 1193770964 /nfs/dbraw/zinc/77/09/64/1193770964.db2.gz WMKUMEKHNIPMKX-UXHICEINSA-N 2 1 318.505 3.093 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCOCC(F)(F)F ZINC001620533476 1193776889 /nfs/dbraw/zinc/77/68/89/1193776889.db2.gz QFIOUMVTQKFBHT-UHFFFAOYSA-N 2 1 310.404 3.153 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CCN1c1cc[nH+]cc1 ZINC001620542573 1193778367 /nfs/dbraw/zinc/77/83/67/1193778367.db2.gz DIJHZKQSBFQWRJ-HOTGVXAUSA-N 2 1 317.477 3.186 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC001620727445 1193795238 /nfs/dbraw/zinc/79/52/38/1193795238.db2.gz MLRGHSDOSGGREM-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC001620727445 1193795240 /nfs/dbraw/zinc/79/52/40/1193795240.db2.gz MLRGHSDOSGGREM-GFCCVEGCSA-N 2 1 307.488 3.303 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001621243682 1193821904 /nfs/dbraw/zinc/82/19/04/1193821904.db2.gz QFZABWAPGVHIQZ-ZDUSSCGKSA-N 2 1 308.376 3.071 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001621245906 1193823003 /nfs/dbraw/zinc/82/30/03/1193823003.db2.gz ZZEPMDAIDPWMDY-UFYCRDLUSA-N 2 1 316.489 3.168 20 0 DGADMP COC1(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCCCCC1 ZINC001621313973 1193829076 /nfs/dbraw/zinc/82/90/76/1193829076.db2.gz RLKDLRQOQYZTDY-SFHVURJKSA-N 2 1 308.510 3.390 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001621313619 1193829468 /nfs/dbraw/zinc/82/94/68/1193829468.db2.gz HVOLMDNKRVMSEE-INIZCTEOSA-N 2 1 320.452 3.388 20 0 DGADMP CCCn1cc(C[N@H+](C)CCCc2[nH+]ccn2CCC)c(C)n1 ZINC001621314179 1193830434 /nfs/dbraw/zinc/83/04/34/1193830434.db2.gz YTCUIGAKUQMPLX-UHFFFAOYSA-N 2 1 317.481 3.273 20 0 DGADMP CCCn1cc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)c(C)n1 ZINC001621314179 1193830436 /nfs/dbraw/zinc/83/04/36/1193830436.db2.gz YTCUIGAKUQMPLX-UHFFFAOYSA-N 2 1 317.481 3.273 20 0 DGADMP COc1ccc(SCC[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC001621440386 1193843150 /nfs/dbraw/zinc/84/31/50/1193843150.db2.gz UZHSEQRJXQWXAS-HNNXBMFYSA-N 2 1 308.491 3.109 20 0 DGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1F ZINC001621457576 1193845712 /nfs/dbraw/zinc/84/57/12/1193845712.db2.gz IDAMCROHTSVZQI-RHSMWYFYSA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1F ZINC001621457576 1193845715 /nfs/dbraw/zinc/84/57/15/1193845715.db2.gz IDAMCROHTSVZQI-RHSMWYFYSA-N 2 1 308.441 3.387 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C12CCCCC2 ZINC001621569732 1193860666 /nfs/dbraw/zinc/86/06/66/1193860666.db2.gz CHURNLDVDZZGOJ-HSFUPAIVSA-N 2 1 306.494 3.044 20 0 DGADMP c1ccn(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC000031995313 1193894184 /nfs/dbraw/zinc/89/41/84/1193894184.db2.gz MWNNHHBTUMDOJZ-FQEVSTJZSA-N 2 1 309.457 3.443 20 0 DGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CCCCC1 ZINC001628574731 1194185993 /nfs/dbraw/zinc/18/59/93/1194185993.db2.gz QBQVCSHZNFOLSO-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CCCCC1 ZINC001628574731 1194185996 /nfs/dbraw/zinc/18/59/96/1194185996.db2.gz QBQVCSHZNFOLSO-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCCCC1 ZINC001628574731 1194185997 /nfs/dbraw/zinc/18/59/97/1194185997.db2.gz QBQVCSHZNFOLSO-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001642323332 1194902095 /nfs/dbraw/zinc/90/20/95/1194902095.db2.gz ITKRIXVNKYBIHO-PMACEKPBSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001642323332 1194902097 /nfs/dbraw/zinc/90/20/97/1194902097.db2.gz ITKRIXVNKYBIHO-PMACEKPBSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001642323332 1194902100 /nfs/dbraw/zinc/90/21/00/1194902100.db2.gz ITKRIXVNKYBIHO-PMACEKPBSA-N 2 1 318.505 3.034 20 0 DGADMP C[C@@H]1c2ccccc2CN1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001643948085 1195065780 /nfs/dbraw/zinc/06/57/80/1195065780.db2.gz FWQMELJJYNQSAG-UTKZUKDTSA-N 2 1 322.452 3.200 20 0 DGADMP C[C@@H]1c2ccccc2C[N@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001643948085 1195065786 /nfs/dbraw/zinc/06/57/86/1195065786.db2.gz FWQMELJJYNQSAG-UTKZUKDTSA-N 2 1 322.452 3.200 20 0 DGADMP C[C@@H]1c2ccccc2C[N@@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001643948085 1195065787 /nfs/dbraw/zinc/06/57/87/1195065787.db2.gz FWQMELJJYNQSAG-UTKZUKDTSA-N 2 1 322.452 3.200 20 0 DGADMP COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1C ZINC001644332717 1195101930 /nfs/dbraw/zinc/10/19/30/1195101930.db2.gz OQVIGIMJRWMZQF-HNNXBMFYSA-N 2 1 311.429 3.109 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001644332685 1195102162 /nfs/dbraw/zinc/10/21/62/1195102162.db2.gz NQGMZNVHUFVXBN-LSDHHAIUSA-N 2 1 309.404 3.418 20 0 DGADMP c1ccc(CC2CC[NH+](CCC[N@@H+]3CCCOCC3)CC2)cc1 ZINC001644423617 1195107459 /nfs/dbraw/zinc/10/74/59/1195107459.db2.gz WJDLVWXSBZXVAC-UHFFFAOYSA-N 2 1 316.489 3.054 20 0 DGADMP c1ccc(CC2CC[NH+](CCC[N@H+]3CCCOCC3)CC2)cc1 ZINC001644423617 1195107462 /nfs/dbraw/zinc/10/74/62/1195107462.db2.gz WJDLVWXSBZXVAC-UHFFFAOYSA-N 2 1 316.489 3.054 20 0 DGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001644781101 1195134177 /nfs/dbraw/zinc/13/41/77/1195134177.db2.gz PZBZJRZDNJMOAM-SJLPKXTDSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001644781101 1195134180 /nfs/dbraw/zinc/13/41/80/1195134180.db2.gz PZBZJRZDNJMOAM-SJLPKXTDSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)/C=C/C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001644781276 1195134367 /nfs/dbraw/zinc/13/43/67/1195134367.db2.gz UVSMTEVAWMGXRQ-JKNJVXJCSA-N 2 1 322.493 3.082 20 0 DGADMP Cc1ncsc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001644970920 1195146781 /nfs/dbraw/zinc/14/67/81/1195146781.db2.gz NWZUXFWECUTEDB-NVXWUHKLSA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001644970920 1195146782 /nfs/dbraw/zinc/14/67/82/1195146782.db2.gz NWZUXFWECUTEDB-NVXWUHKLSA-N 2 1 319.518 3.333 20 0 DGADMP Cc1ncsc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001644970920 1195146784 /nfs/dbraw/zinc/14/67/84/1195146784.db2.gz NWZUXFWECUTEDB-NVXWUHKLSA-N 2 1 319.518 3.333 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001645096670 1195156035 /nfs/dbraw/zinc/15/60/35/1195156035.db2.gz CQCBZKGESZQHLU-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001645365038 1195178442 /nfs/dbraw/zinc/17/84/42/1195178442.db2.gz MQXJFPWFVHPROL-HSALFYBXSA-N 2 1 318.505 3.428 20 0 DGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001645365038 1195178444 /nfs/dbraw/zinc/17/84/44/1195178444.db2.gz MQXJFPWFVHPROL-HSALFYBXSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)(C)OC(=O)C1(CC[NH2+]C(C)(C)C[NH+]2CCCC2)CCC1 ZINC001646241381 1195219219 /nfs/dbraw/zinc/21/92/19/1195219219.db2.gz XXAKUHKGUJOUJF-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C)nn1 ZINC001648027664 1195271578 /nfs/dbraw/zinc/27/15/78/1195271578.db2.gz VAXOJIKYXYFGJT-LJQANCHMSA-N 2 1 316.493 3.180 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C)nn1 ZINC001648027664 1195271581 /nfs/dbraw/zinc/27/15/81/1195271581.db2.gz VAXOJIKYXYFGJT-LJQANCHMSA-N 2 1 316.493 3.180 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCc2ccncc2)CC1 ZINC001648027660 1195271769 /nfs/dbraw/zinc/27/17/69/1195271769.db2.gz UYXLCBMVVCZPHZ-IBGZPJMESA-N 2 1 301.478 3.211 20 0 DGADMP CC[C@H](CC(F)F)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001648662177 1195319575 /nfs/dbraw/zinc/31/95/75/1195319575.db2.gz WXLIKCADIANSED-OIISXLGYSA-N 2 1 300.437 3.476 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648662177 1195319568 /nfs/dbraw/zinc/31/95/68/1195319568.db2.gz WXLIKCADIANSED-OIISXLGYSA-N 2 1 300.437 3.476 20 0 DGADMP CC[C@H](CC(F)F)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001648662177 1195319571 /nfs/dbraw/zinc/31/95/71/1195319571.db2.gz WXLIKCADIANSED-OIISXLGYSA-N 2 1 300.437 3.476 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000063917756 1195325280 /nfs/dbraw/zinc/32/52/80/1195325280.db2.gz QYVZFLOFXUMWPP-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000065981519 1195483790 /nfs/dbraw/zinc/48/37/90/1195483790.db2.gz YDEWJMBVYJWJLM-AWEZNQCLSA-N 2 1 320.868 3.015 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC001651706455 1195500718 /nfs/dbraw/zinc/50/07/18/1195500718.db2.gz UYVBMPVZEJBUHF-AWEZNQCLSA-N 2 1 318.490 3.415 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCC(C)(C)C[NH+]3CCCC3)c12 ZINC001651812419 1195511832 /nfs/dbraw/zinc/51/18/32/1195511832.db2.gz ZDNRFTCPIQWMJY-UHFFFAOYSA-N 2 1 301.438 3.054 20 0 DGADMP CC[NH+]1CCC(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838230 1195514863 /nfs/dbraw/zinc/51/48/63/1195514863.db2.gz GGEIAXOIPFXWQP-ZIFCJYIRSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838230 1195514865 /nfs/dbraw/zinc/51/48/65/1195514865.db2.gz GGEIAXOIPFXWQP-ZIFCJYIRSA-N 2 1 307.526 3.056 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001651838230 1195514869 /nfs/dbraw/zinc/51/48/69/1195514869.db2.gz GGEIAXOIPFXWQP-ZIFCJYIRSA-N 2 1 307.526 3.056 20 0 DGADMP Fc1ccc(Oc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001651909078 1195522246 /nfs/dbraw/zinc/52/22/46/1195522246.db2.gz WEPBDRLKQYEDCK-HOTGVXAUSA-N 2 1 312.388 3.269 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC001651943349 1195526343 /nfs/dbraw/zinc/52/63/43/1195526343.db2.gz BWZOIBDPPNZUGI-HNNXBMFYSA-N 2 1 308.853 3.135 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C12CCC2 ZINC001652321347 1195582363 /nfs/dbraw/zinc/58/23/63/1195582363.db2.gz OMWOFNUYQFDUJG-FGTMMUONSA-N 2 1 306.494 3.331 20 0 DGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC001652389526 1195590489 /nfs/dbraw/zinc/59/04/89/1195590489.db2.gz CJZCXFQLOGCOKB-MSOLQXFVSA-N 2 1 308.510 3.245 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1C[C@]1(C)Br ZINC001652391719 1195591024 /nfs/dbraw/zinc/59/10/24/1195591024.db2.gz RZIYRPUFTIPSIX-KBPBESRZSA-N 2 1 305.304 3.214 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1C[C@]1(C)Br ZINC001652391719 1195591025 /nfs/dbraw/zinc/59/10/25/1195591025.db2.gz RZIYRPUFTIPSIX-KBPBESRZSA-N 2 1 305.304 3.214 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3scnc3c2)C1 ZINC001652399843 1195592005 /nfs/dbraw/zinc/59/20/05/1195592005.db2.gz JZRNGBCQCJUJEY-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399843 1195592008 /nfs/dbraw/zinc/59/20/08/1195592008.db2.gz JZRNGBCQCJUJEY-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3scnc3c2)C1 ZINC001652399843 1195592013 /nfs/dbraw/zinc/59/20/13/1195592013.db2.gz JZRNGBCQCJUJEY-ZBFHGGJFSA-N 2 1 301.459 3.212 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@H]1CCCC1(C)C ZINC001652634006 1195630670 /nfs/dbraw/zinc/63/06/70/1195630670.db2.gz SKVBTZVOISEAIL-OALUTQOASA-N 2 1 318.505 3.380 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@H]1CCCC1(C)C ZINC001652634006 1195630673 /nfs/dbraw/zinc/63/06/73/1195630673.db2.gz SKVBTZVOISEAIL-OALUTQOASA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)[C@H]1CCCC1(C)C ZINC001652634006 1195630676 /nfs/dbraw/zinc/63/06/76/1195630676.db2.gz SKVBTZVOISEAIL-OALUTQOASA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@H]1CCCC1(C)C ZINC001652634006 1195630677 /nfs/dbraw/zinc/63/06/77/1195630677.db2.gz SKVBTZVOISEAIL-OALUTQOASA-N 2 1 318.505 3.380 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683470 1195635867 /nfs/dbraw/zinc/63/58/67/1195635867.db2.gz XQJXMRJGMIUMOK-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683470 1195635870 /nfs/dbraw/zinc/63/58/70/1195635870.db2.gz XQJXMRJGMIUMOK-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683470 1195635872 /nfs/dbraw/zinc/63/58/72/1195635872.db2.gz XQJXMRJGMIUMOK-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC4CC4)CC[C@H]32)cc1 ZINC001652683470 1195635875 /nfs/dbraw/zinc/63/58/75/1195635875.db2.gz XQJXMRJGMIUMOK-UYAOXDASSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C(C)C)c1 ZINC001653222901 1195700855 /nfs/dbraw/zinc/70/08/55/1195700855.db2.gz ACYXUPAXHBTSRH-LJQANCHMSA-N 2 1 306.494 3.154 20 0 DGADMP Cc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC001653222901 1195700857 /nfs/dbraw/zinc/70/08/57/1195700857.db2.gz ACYXUPAXHBTSRH-LJQANCHMSA-N 2 1 306.494 3.154 20 0 DGADMP Cc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC001653222901 1195700861 /nfs/dbraw/zinc/70/08/61/1195700861.db2.gz ACYXUPAXHBTSRH-LJQANCHMSA-N 2 1 306.494 3.154 20 0 DGADMP CCN(C[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001653286542 1195707793 /nfs/dbraw/zinc/70/77/93/1195707793.db2.gz QERSURXXYUTGPM-DFQSSKMNSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001653286542 1195707797 /nfs/dbraw/zinc/70/77/97/1195707797.db2.gz QERSURXXYUTGPM-DFQSSKMNSA-N 2 1 315.505 3.238 20 0 DGADMP CCN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001653286542 1195707800 /nfs/dbraw/zinc/70/78/00/1195707800.db2.gz QERSURXXYUTGPM-DFQSSKMNSA-N 2 1 315.505 3.238 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H](O)C(C)C)CC1)CC(C)C ZINC001653864988 1195756778 /nfs/dbraw/zinc/75/67/78/1195756778.db2.gz PGNCMTBLWASGIV-IBGZPJMESA-N 2 1 312.542 3.473 20 0 DGADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000069058483 1195769529 /nfs/dbraw/zinc/76/95/29/1195769529.db2.gz KXYBFFHEVQDMRA-INIZCTEOSA-N 2 1 318.461 3.058 20 0 DGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001654100000 1195774670 /nfs/dbraw/zinc/77/46/70/1195774670.db2.gz VEJKBKHYWWPBNC-WBVHZDCISA-N 2 1 302.462 3.438 20 0 DGADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218646 1195785212 /nfs/dbraw/zinc/78/52/12/1195785212.db2.gz ODRKFLLIVMMGLE-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000069447844 1195795824 /nfs/dbraw/zinc/79/58/24/1195795824.db2.gz JTSBMUUQTBFMCV-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000069447844 1195795827 /nfs/dbraw/zinc/79/58/27/1195795827.db2.gz JTSBMUUQTBFMCV-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000069447844 1195795832 /nfs/dbraw/zinc/79/58/32/1195795832.db2.gz JTSBMUUQTBFMCV-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCc1ccccc1CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001654659469 1195827733 /nfs/dbraw/zinc/82/77/33/1195827733.db2.gz BHGIVOFGBACKFA-KRWDZBQOSA-N 2 1 309.457 3.397 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](CCN(C)c2ccccc2)CC1 ZINC001654823709 1195845420 /nfs/dbraw/zinc/84/54/20/1195845420.db2.gz ZQEAKZOXTMZBFK-UHFFFAOYSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001655259713 1195897646 /nfs/dbraw/zinc/89/76/46/1195897646.db2.gz UJZQYKHKNHHIBZ-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CCCC[C@H]1[NH+](C)C)C2 ZINC001655517593 1195927162 /nfs/dbraw/zinc/92/71/62/1195927162.db2.gz ZKNILNRJNHBCAS-YTQUADARSA-N 2 1 316.489 3.405 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC001655563787 1195932780 /nfs/dbraw/zinc/93/27/80/1195932780.db2.gz YCSLHOHRJRMACX-IRXDYDNUSA-N 2 1 317.477 3.114 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC001655563785 1195933389 /nfs/dbraw/zinc/93/33/89/1195933389.db2.gz YCSLHOHRJRMACX-DLBZAZTESA-N 2 1 317.477 3.114 20 0 DGADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(C(F)(F)F)c1 ZINC001655962118 1195983481 /nfs/dbraw/zinc/98/34/81/1195983481.db2.gz KONOYHQCRIPBQW-UHFFFAOYSA-N 2 1 318.383 3.391 20 0 DGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC001656071498 1195994128 /nfs/dbraw/zinc/99/41/28/1195994128.db2.gz VENDUBINSDGYQV-NRFANRHFSA-N 2 1 324.468 3.105 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC001656064121 1195994309 /nfs/dbraw/zinc/99/43/09/1195994309.db2.gz SKVYZPPAOQUMRT-UHFFFAOYSA-N 2 1 308.441 3.436 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C2 ZINC001656356930 1196032622 /nfs/dbraw/zinc/03/26/22/1196032622.db2.gz KHXMYXKKXSVELR-RDJZCZTQSA-N 2 1 304.478 3.261 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C2 ZINC001656356930 1196032626 /nfs/dbraw/zinc/03/26/26/1196032626.db2.gz KHXMYXKKXSVELR-RDJZCZTQSA-N 2 1 304.478 3.261 20 0 DGADMP C[C@H]1Cc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccc2O1 ZINC001656718296 1196065263 /nfs/dbraw/zinc/06/52/63/1196065263.db2.gz QJMSASGAXGAWOM-MAUKXSAKSA-N 2 1 314.473 3.222 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCOCC2)cc1 ZINC001656766058 1196070069 /nfs/dbraw/zinc/07/00/69/1196070069.db2.gz IKYOGGAKJVEECR-MRXNPFEDSA-N 2 1 302.462 3.330 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001656802022 1196072661 /nfs/dbraw/zinc/07/26/61/1196072661.db2.gz LHKJXBCWSGLSFD-OKZBNKHCSA-N 2 1 314.473 3.159 20 0 DGADMP C[C@@H](O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001656951486 1196086372 /nfs/dbraw/zinc/08/63/72/1196086372.db2.gz UGJBACPPXCXUAH-QGZVFWFLSA-N 2 1 324.468 3.494 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC001657007091 1196092532 /nfs/dbraw/zinc/09/25/32/1196092532.db2.gz IZBJXPXBODPNRW-AWEZNQCLSA-N 2 1 317.433 3.167 20 0 DGADMP C[C@H]1Cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193829 1196116537 /nfs/dbraw/zinc/11/65/37/1196116537.db2.gz ACHXRXZWWZHUBI-FUHWJXTLSA-N 2 1 314.473 3.318 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC001657193829 1196116541 /nfs/dbraw/zinc/11/65/41/1196116541.db2.gz ACHXRXZWWZHUBI-FUHWJXTLSA-N 2 1 314.473 3.318 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001657215098 1196119494 /nfs/dbraw/zinc/11/94/94/1196119494.db2.gz VJQSLUSLTPMJBV-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001657215098 1196119491 /nfs/dbraw/zinc/11/94/91/1196119491.db2.gz VJQSLUSLTPMJBV-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP Cc1cc(N2CCC([NH2+]C/C=C\c3ccccc3)CC2)nc(C)[nH+]1 ZINC001657323265 1196130225 /nfs/dbraw/zinc/13/02/25/1196130225.db2.gz RSOUOUCEMXWQIT-TWGQIWQCSA-N 2 1 322.456 3.365 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(C)c2C)C1 ZINC001657342091 1196132132 /nfs/dbraw/zinc/13/21/32/1196132132.db2.gz JMRYOFWUQIVQSH-QGZVFWFLSA-N 2 1 310.507 3.298 20 0 DGADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC1CC[NH+](CC)CC1 ZINC001657354433 1196134033 /nfs/dbraw/zinc/13/40/33/1196134033.db2.gz ROVNEQSKSNLNLL-LJQANCHMSA-N 2 1 304.478 3.082 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc2nccn21)[N@H+](C)Cc1ccccc1 ZINC001657372382 1196134400 /nfs/dbraw/zinc/13/44/00/1196134400.db2.gz SLMBIGLNNSBMIE-KRWDZBQOSA-N 2 1 322.456 3.335 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc2nccn21)[N@@H+](C)Cc1ccccc1 ZINC001657372382 1196134403 /nfs/dbraw/zinc/13/44/03/1196134403.db2.gz SLMBIGLNNSBMIE-KRWDZBQOSA-N 2 1 322.456 3.335 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC001657939256 1196195776 /nfs/dbraw/zinc/19/57/76/1196195776.db2.gz RQYFKHWAJXAQFD-KRWDZBQOSA-N 2 1 324.896 3.400 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC001657939256 1196195778 /nfs/dbraw/zinc/19/57/78/1196195778.db2.gz RQYFKHWAJXAQFD-KRWDZBQOSA-N 2 1 324.896 3.400 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001658162324 1196219195 /nfs/dbraw/zinc/21/91/95/1196219195.db2.gz APFLDHSLVXWGEB-QGZVFWFLSA-N 2 1 310.869 3.037 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@H](C)O3)[C@@H](C)C1 ZINC001658255806 1196230474 /nfs/dbraw/zinc/23/04/74/1196230474.db2.gz RRPYQHUZQFWEIZ-MPGHIAIKSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)[C@@H](C)C1 ZINC001658255806 1196230478 /nfs/dbraw/zinc/23/04/78/1196230478.db2.gz RRPYQHUZQFWEIZ-MPGHIAIKSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)[C@@H](C)C1 ZINC001658255806 1196230485 /nfs/dbraw/zinc/23/04/85/1196230485.db2.gz RRPYQHUZQFWEIZ-MPGHIAIKSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC001658392990 1196250510 /nfs/dbraw/zinc/25/05/10/1196250510.db2.gz SZJOKLJYOWCISU-FNQPIQQGSA-N 2 1 320.452 3.272 20 0 DGADMP CC[NH+]1CCC(CN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC001658461430 1196260356 /nfs/dbraw/zinc/26/03/56/1196260356.db2.gz UOJLKBUZSYOEDV-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CC[NH+]1CCC(C[N@@H+]2CCCN(CC3CCCCC3)CC2)CC1 ZINC001658461430 1196260361 /nfs/dbraw/zinc/26/03/61/1196260361.db2.gz UOJLKBUZSYOEDV-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCN(CC3CCCCC3)CC2)CC1 ZINC001658461430 1196260364 /nfs/dbraw/zinc/26/03/64/1196260364.db2.gz UOJLKBUZSYOEDV-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCC34CCOCC4)C2)C1 ZINC001658773279 1196298901 /nfs/dbraw/zinc/29/89/01/1196298901.db2.gz KXVHGVVIMWNBPQ-QZTJIDSGSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCCC34CCOCC4)C2)C1 ZINC001658773279 1196298902 /nfs/dbraw/zinc/29/89/02/1196298902.db2.gz KXVHGVVIMWNBPQ-QZTJIDSGSA-N 2 1 306.494 3.001 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCCC34CCOCC4)C2)C1 ZINC001658773279 1196298909 /nfs/dbraw/zinc/29/89/09/1196298909.db2.gz KXVHGVVIMWNBPQ-QZTJIDSGSA-N 2 1 306.494 3.001 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)s3)[C@H]2C1 ZINC001658778048 1196299564 /nfs/dbraw/zinc/29/95/64/1196299564.db2.gz PQOYIEGXFWYVAH-ZMLRMANQSA-N 2 1 304.381 3.197 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC001658830214 1196305544 /nfs/dbraw/zinc/30/55/44/1196305544.db2.gz NMGKRNLTHBREGS-LPWQTFTOSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC001658830215 1196307067 /nfs/dbraw/zinc/30/70/67/1196307067.db2.gz NMGKRNLTHBREGS-SMOSDQRPSA-N 2 1 316.489 3.168 20 0 DGADMP COc1ccc(SCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC001658868378 1196312014 /nfs/dbraw/zinc/31/20/14/1196312014.db2.gz ZDNOYVMYHMJDBE-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001658868378 1196312017 /nfs/dbraw/zinc/31/20/17/1196312017.db2.gz ZDNOYVMYHMJDBE-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001658868378 1196312022 /nfs/dbraw/zinc/31/20/22/1196312022.db2.gz ZDNOYVMYHMJDBE-YJBOKZPZSA-N 2 1 320.502 3.203 20 0 DGADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001659007557 1196332578 /nfs/dbraw/zinc/33/25/78/1196332578.db2.gz APZKLUIGGAAENL-IBGZPJMESA-N 2 1 324.509 3.162 20 0 DGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001659118003 1196347390 /nfs/dbraw/zinc/34/73/90/1196347390.db2.gz GCTBHRINNROLSO-BSXOQXRQSA-N 2 1 308.416 3.216 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC3CSC3)CC2)cc1 ZINC001659118506 1196348656 /nfs/dbraw/zinc/34/86/56/1196348656.db2.gz MRQATQYCNOWNGB-UHFFFAOYSA-N 2 1 322.493 3.175 20 0 DGADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001659292358 1196367698 /nfs/dbraw/zinc/36/76/98/1196367698.db2.gz FKVCKYDQFGHISL-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@@H]1C1CCC1 ZINC001659292358 1196367702 /nfs/dbraw/zinc/36/77/02/1196367702.db2.gz FKVCKYDQFGHISL-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@@H]1C1CCC1 ZINC001659292358 1196367704 /nfs/dbraw/zinc/36/77/04/1196367704.db2.gz FKVCKYDQFGHISL-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC001659292358 1196367707 /nfs/dbraw/zinc/36/77/07/1196367707.db2.gz FKVCKYDQFGHISL-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001659292358 1196367711 /nfs/dbraw/zinc/36/77/11/1196367711.db2.gz FKVCKYDQFGHISL-VQTJNVASSA-N 2 1 316.489 3.134 20 0 DGADMP CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(C)n1 ZINC001659733712 1196409535 /nfs/dbraw/zinc/40/95/35/1196409535.db2.gz HPVOMDASSHAKRH-YJBOKZPZSA-N 2 1 306.498 3.154 20 0 DGADMP CCCn1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(C)n1 ZINC001659733712 1196409538 /nfs/dbraw/zinc/40/95/38/1196409538.db2.gz HPVOMDASSHAKRH-YJBOKZPZSA-N 2 1 306.498 3.154 20 0 DGADMP COc1ccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000075780666 1196421482 /nfs/dbraw/zinc/42/14/82/1196421482.db2.gz QJSBWNZIPGXOSO-INIZCTEOSA-N 2 1 310.441 3.422 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950308 1196432247 /nfs/dbraw/zinc/43/22/47/1196432247.db2.gz CYACBECKBJOWTM-HOCLYGCPSA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950308 1196432248 /nfs/dbraw/zinc/43/22/48/1196432248.db2.gz CYACBECKBJOWTM-HOCLYGCPSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950308 1196432251 /nfs/dbraw/zinc/43/22/51/1196432251.db2.gz CYACBECKBJOWTM-HOCLYGCPSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950308 1196432253 /nfs/dbraw/zinc/43/22/53/1196432253.db2.gz CYACBECKBJOWTM-HOCLYGCPSA-N 2 1 324.896 3.221 20 0 DGADMP CCn1ccc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)n1 ZINC001660801073 1196526588 /nfs/dbraw/zinc/52/65/88/1196526588.db2.gz GUTJROAWVCVMSU-UHFFFAOYSA-N 2 1 300.450 3.035 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COc3c(F)cc(F)cc3C2)CC1 ZINC001660882564 1196538265 /nfs/dbraw/zinc/53/82/65/1196538265.db2.gz MULRLKNTLHLNDA-HNNXBMFYSA-N 2 1 324.415 3.121 20 0 DGADMP CC1(C)CC2(CO1)CCC([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC001660888741 1196539018 /nfs/dbraw/zinc/53/90/18/1196539018.db2.gz MDZUCFLFCACGFM-LYGPFTKASA-N 2 1 306.494 3.188 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1 ZINC001660929606 1196542937 /nfs/dbraw/zinc/54/29/37/1196542937.db2.gz XCPRPLXKBMTUOE-RHHMJZNLSA-N 2 1 302.462 3.117 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001661463790 1196608493 /nfs/dbraw/zinc/60/84/93/1196608493.db2.gz MAMPXKNMOBESTM-MDZRGWNJSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC001662188823 1196691916 /nfs/dbraw/zinc/69/19/16/1196691916.db2.gz YCGVTJOCVMFKJE-BMFAXAFESA-N 2 1 308.510 3.433 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C\c1c(C)cc(C)cc1C ZINC001662788297 1196751965 /nfs/dbraw/zinc/75/19/65/1196751965.db2.gz NLKYGYIUJVFGSL-OLHLWXQYSA-N 2 1 318.505 3.307 20 0 DGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001663532959 1196898701 /nfs/dbraw/zinc/89/87/01/1196898701.db2.gz TYGFOWDOQPHHIQ-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](CC1CCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001663998094 1196963601 /nfs/dbraw/zinc/96/36/01/1196963601.db2.gz MHEPPKICGNWVOD-OXQOHEQNSA-N 2 1 316.489 3.312 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001664305432 1196988671 /nfs/dbraw/zinc/98/86/71/1196988671.db2.gz NNXQKYRYJSPJGM-UHFFFAOYSA-N 2 1 324.371 3.068 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001664305432 1196988675 /nfs/dbraw/zinc/98/86/75/1196988675.db2.gz NNXQKYRYJSPJGM-UHFFFAOYSA-N 2 1 324.371 3.068 20 0 DGADMP COc1ccc(SCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC001664301134 1196988732 /nfs/dbraw/zinc/98/87/32/1196988732.db2.gz JFXFLFCXUOTFPJ-HNNXBMFYSA-N 2 1 308.491 3.203 20 0 DGADMP COc1ccc(SCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC001664301134 1196988734 /nfs/dbraw/zinc/98/87/34/1196988734.db2.gz JFXFLFCXUOTFPJ-HNNXBMFYSA-N 2 1 308.491 3.203 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CC[NH+](CC)CC1 ZINC001664595023 1197018588 /nfs/dbraw/zinc/01/85/88/1197018588.db2.gz IVIZQKWJVBDVSF-UHFFFAOYSA-N 3 1 317.521 3.302 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)nc2c1CCCC2 ZINC001664604325 1197020671 /nfs/dbraw/zinc/02/06/71/1197020671.db2.gz GGGZNVJAZUXSQC-UHFFFAOYSA-N 2 1 303.494 3.433 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)nc2c1CCCC2 ZINC001664604325 1197020675 /nfs/dbraw/zinc/02/06/75/1197020675.db2.gz GGGZNVJAZUXSQC-UHFFFAOYSA-N 2 1 303.494 3.433 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Br)cs2)CC1 ZINC000083419097 1197427419 /nfs/dbraw/zinc/42/74/19/1197427419.db2.gz VPSAUISAKOLPDG-NSHDSACASA-N 2 1 303.269 3.085 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC000321622372 1197685280 /nfs/dbraw/zinc/68/52/80/1197685280.db2.gz IBCJJTXZQAWWKN-HNNXBMFYSA-N 2 1 310.441 3.361 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000323072301 1197690385 /nfs/dbraw/zinc/69/03/85/1197690385.db2.gz OSRJUEZRMCOOIB-SECBINFHSA-N 2 1 305.647 3.190 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380911242 1197703589 /nfs/dbraw/zinc/70/35/89/1197703589.db2.gz MEIMBGGNBHNKPP-GOSISDBHSA-N 2 1 312.461 3.028 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656488 1197704081 /nfs/dbraw/zinc/70/40/81/1197704081.db2.gz PHPWMUKBVVYFHF-KSSFIOAISA-N 2 1 312.461 3.169 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656488 1197704085 /nfs/dbraw/zinc/70/40/85/1197704085.db2.gz PHPWMUKBVVYFHF-KSSFIOAISA-N 2 1 312.461 3.169 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1 ZINC000393410446 1197718422 /nfs/dbraw/zinc/71/84/22/1197718422.db2.gz ZQZCTDDUOLIGTG-INIZCTEOSA-N 2 1 304.478 3.480 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001676817458 1198400476 /nfs/dbraw/zinc/40/04/76/1198400476.db2.gz YKSARXRWAHMHOP-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](C(C)C)CC2 ZINC001676817458 1198400480 /nfs/dbraw/zinc/40/04/80/1198400480.db2.gz YKSARXRWAHMHOP-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](C(C)C)CC2 ZINC001676817458 1198400488 /nfs/dbraw/zinc/40/04/88/1198400488.db2.gz YKSARXRWAHMHOP-HKUYNNGSSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000300527348 1199364764 /nfs/dbraw/zinc/36/47/64/1199364764.db2.gz IEYVBIIEHZLBAB-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000302838351 1199545655 /nfs/dbraw/zinc/54/56/55/1199545655.db2.gz HDSAFPUVDOIHBC-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000302838351 1199545659 /nfs/dbraw/zinc/54/56/59/1199545659.db2.gz HDSAFPUVDOIHBC-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000302838351 1199545663 /nfs/dbraw/zinc/54/56/63/1199545663.db2.gz HDSAFPUVDOIHBC-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000302838351 1199545668 /nfs/dbraw/zinc/54/56/68/1199545668.db2.gz HDSAFPUVDOIHBC-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000302838351 1199545672 /nfs/dbraw/zinc/54/56/72/1199545672.db2.gz HDSAFPUVDOIHBC-ICSRJNTNSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000108428780 1199604531 /nfs/dbraw/zinc/60/45/31/1199604531.db2.gz QSDBCAXXLUBDFR-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1 ZINC000116379552 1199798164 /nfs/dbraw/zinc/79/81/64/1199798164.db2.gz LRINUKVTDICELV-KRWDZBQOSA-N 2 1 308.466 3.160 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427111392 1199813210 /nfs/dbraw/zinc/81/32/10/1199813210.db2.gz ZKPOTQUUQIEBRY-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427111392 1199813213 /nfs/dbraw/zinc/81/32/13/1199813213.db2.gz ZKPOTQUUQIEBRY-HKUYNNGSSA-N 2 1 302.462 3.439 20 0 DGADMP CCCOc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000318859835 1199835507 /nfs/dbraw/zinc/83/55/07/1199835507.db2.gz OTGRLAYTROBKSA-KRWDZBQOSA-N 2 1 302.462 3.439 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697457 1199840240 /nfs/dbraw/zinc/84/02/40/1199840240.db2.gz SHKAWTNWVCNSRH-GOEBONIOSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697457 1199840245 /nfs/dbraw/zinc/84/02/45/1199840245.db2.gz SHKAWTNWVCNSRH-GOEBONIOSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697457 1199840250 /nfs/dbraw/zinc/84/02/50/1199840250.db2.gz SHKAWTNWVCNSRH-GOEBONIOSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697457 1199840253 /nfs/dbraw/zinc/84/02/53/1199840253.db2.gz SHKAWTNWVCNSRH-GOEBONIOSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697452 1199840721 /nfs/dbraw/zinc/84/07/21/1199840721.db2.gz SHKAWTNWVCNSRH-GDBMZVCRSA-N 2 1 315.848 3.272 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697452 1199840725 /nfs/dbraw/zinc/84/07/25/1199840725.db2.gz SHKAWTNWVCNSRH-GDBMZVCRSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697452 1199840728 /nfs/dbraw/zinc/84/07/28/1199840728.db2.gz SHKAWTNWVCNSRH-GDBMZVCRSA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000319697452 1199840729 /nfs/dbraw/zinc/84/07/29/1199840729.db2.gz SHKAWTNWVCNSRH-GDBMZVCRSA-N 2 1 315.848 3.272 20 0 DGADMP CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001689307279 1200090150 /nfs/dbraw/zinc/09/01/50/1200090150.db2.gz ADECYJHZXLLNTC-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001689307279 1200090153 /nfs/dbraw/zinc/09/01/53/1200090153.db2.gz ADECYJHZXLLNTC-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001689307279 1200090159 /nfs/dbraw/zinc/09/01/59/1200090159.db2.gz ADECYJHZXLLNTC-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000120761912 1200170876 /nfs/dbraw/zinc/17/08/76/1200170876.db2.gz ZPACXPBLNOTHDL-INIZCTEOSA-N 2 1 306.498 3.096 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000120761912 1200170880 /nfs/dbraw/zinc/17/08/80/1200170880.db2.gz ZPACXPBLNOTHDL-INIZCTEOSA-N 2 1 306.498 3.096 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]CC(C)(C)C[NH+](C)C)s2)o1 ZINC000124979104 1200358316 /nfs/dbraw/zinc/35/83/16/1200358316.db2.gz PGYFJUVPFURHIX-UHFFFAOYSA-N 2 1 307.463 3.389 20 0 DGADMP c1ccc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nc1 ZINC000126840673 1200631477 /nfs/dbraw/zinc/63/14/77/1200631477.db2.gz LXJCHVXFPIJUSC-RBUKOAKNSA-N 2 1 307.441 3.465 20 0 DGADMP CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001755701519 1201026413 /nfs/dbraw/zinc/02/64/13/1201026413.db2.gz PKIUKJLQDVMHTR-JENIJYKNSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001700178411 1202197812 /nfs/dbraw/zinc/19/78/12/1202197812.db2.gz XEPCMICQKYGVMO-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001700178411 1202197815 /nfs/dbraw/zinc/19/78/15/1202197815.db2.gz XEPCMICQKYGVMO-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001700178411 1202197817 /nfs/dbraw/zinc/19/78/17/1202197817.db2.gz XEPCMICQKYGVMO-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700528856 1202306199 /nfs/dbraw/zinc/30/61/99/1202306199.db2.gz LLJRGPADFVBHMZ-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753780194 1202332502 /nfs/dbraw/zinc/33/25/02/1202332502.db2.gz RMGLUGQHRPVNET-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000151378650 1202592310 /nfs/dbraw/zinc/59/23/10/1202592310.db2.gz BWFKFAQADGFVDL-ZDUSSCGKSA-N 2 1 323.278 3.331 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000151417975 1202592457 /nfs/dbraw/zinc/59/24/57/1202592457.db2.gz GWMNWENLBHZJJP-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP COCCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000151987977 1202593463 /nfs/dbraw/zinc/59/34/63/1202593463.db2.gz GGODGYFZHFPMAB-UHFFFAOYSA-N 2 1 316.489 3.447 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000155439413 1202598833 /nfs/dbraw/zinc/59/88/33/1202598833.db2.gz WGCKNQHROQUITE-UHFFFAOYSA-N 2 1 309.457 3.453 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000157108557 1202602067 /nfs/dbraw/zinc/60/20/67/1202602067.db2.gz MUVKJFAARPJKPZ-WOJBJXKFSA-N 2 1 314.473 3.198 20 0 DGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)[NH+](C)C ZINC000236677203 1202618990 /nfs/dbraw/zinc/61/89/90/1202618990.db2.gz DSCRKCFLWJGMLX-MAUKXSAKSA-N 2 1 319.493 3.360 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1OCC ZINC000236807460 1202625945 /nfs/dbraw/zinc/62/59/45/1202625945.db2.gz FUNOQOUWKHHMCF-UHFFFAOYSA-N 2 1 320.477 3.448 20 0 DGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C)C3)cc2)CC1 ZINC000236963550 1202638685 /nfs/dbraw/zinc/63/86/85/1202638685.db2.gz LJLROLWMWRMCOK-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000237106497 1202647519 /nfs/dbraw/zinc/64/75/19/1202647519.db2.gz HMZYDXPTQMMKJS-UHFFFAOYSA-N 2 1 317.260 3.194 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001713442283 1202649913 /nfs/dbraw/zinc/64/99/13/1202649913.db2.gz KUNRUYXWDDLIAM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001713442283 1202649914 /nfs/dbraw/zinc/64/99/14/1202649914.db2.gz KUNRUYXWDDLIAM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001713442283 1202649915 /nfs/dbraw/zinc/64/99/15/1202649915.db2.gz KUNRUYXWDDLIAM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000237467680 1202674840 /nfs/dbraw/zinc/67/48/40/1202674840.db2.gz HLEIMQLXJXJMCY-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000237467680 1202674841 /nfs/dbraw/zinc/67/48/41/1202674841.db2.gz HLEIMQLXJXJMCY-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000237467680 1202674842 /nfs/dbraw/zinc/67/48/42/1202674842.db2.gz HLEIMQLXJXJMCY-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000237467680 1202674843 /nfs/dbraw/zinc/67/48/43/1202674843.db2.gz HLEIMQLXJXJMCY-WSTZPKSXSA-N 2 1 315.505 3.143 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000237731186 1202692374 /nfs/dbraw/zinc/69/23/74/1202692374.db2.gz UETOPRAHLBMWFY-UHFFFAOYSA-N 2 1 309.457 3.453 20 0 DGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713832316 1202693861 /nfs/dbraw/zinc/69/38/61/1202693861.db2.gz QLBCNLAMLCSNLO-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713832316 1202693862 /nfs/dbraw/zinc/69/38/62/1202693862.db2.gz QLBCNLAMLCSNLO-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713832316 1202693863 /nfs/dbraw/zinc/69/38/63/1202693863.db2.gz QLBCNLAMLCSNLO-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245743326 1203691169 /nfs/dbraw/zinc/69/11/69/1203691169.db2.gz WEXNEOLGUFZQOV-ICSRJNTNSA-N 2 1 317.521 3.313 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001717837925 1203719182 /nfs/dbraw/zinc/71/91/82/1203719182.db2.gz PXSAPIJNKLKBRV-LMMKCTJWSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733212981 1205047255 /nfs/dbraw/zinc/04/72/55/1205047255.db2.gz ZFMQOUXWXQBSKK-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001733863864 1205234161 /nfs/dbraw/zinc/23/41/61/1205234161.db2.gz YIWOOUBSHPWAPZ-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001734465162 1205382947 /nfs/dbraw/zinc/38/29/47/1205382947.db2.gz ZKYKSOPEDVDARL-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)nc1 ZINC001164633281 719251438 /nfs/dbraw/zinc/25/14/38/719251438.db2.gz KPKNMRYDBGMDQQ-SOLBZPMBSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc1 ZINC001164633281 719251445 /nfs/dbraw/zinc/25/14/45/719251445.db2.gz KPKNMRYDBGMDQQ-SOLBZPMBSA-N 2 1 316.493 3.157 20 0 DGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc1 ZINC001164633281 719251449 /nfs/dbraw/zinc/25/14/49/719251449.db2.gz KPKNMRYDBGMDQQ-SOLBZPMBSA-N 2 1 316.493 3.157 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC001165038958 721898370 /nfs/dbraw/zinc/89/83/70/721898370.db2.gz VOQATQPGXMXQKK-MSOLQXFVSA-N 2 1 316.493 3.159 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206769420 1081622506 /nfs/dbraw/zinc/62/25/06/1081622506.db2.gz PCTWRZZFKDAPAW-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206769420 1081622507 /nfs/dbraw/zinc/62/25/07/1081622507.db2.gz PCTWRZZFKDAPAW-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP [NH3+]Cc1ccn(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC001169726119 1081632611 /nfs/dbraw/zinc/63/26/11/1081632611.db2.gz SFBZWAIXORHSIU-UHFFFAOYSA-N 2 1 303.409 3.452 20 0 DGADMP CCCCC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115573030 1081640734 /nfs/dbraw/zinc/64/07/34/1081640734.db2.gz FBHVDHFSQRWJKS-UHFFFAOYSA-N 2 1 323.525 3.070 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)[C@H](C)C1 ZINC001169987876 1081785207 /nfs/dbraw/zinc/78/52/07/1081785207.db2.gz FEIYLSOLSMLLNE-ZBFHGGJFSA-N 2 1 311.514 3.106 20 0 DGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463897 1081844052 /nfs/dbraw/zinc/84/40/52/1081844052.db2.gz BSGSFQXYNMITDX-IKGGRYGDSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109463897 1081844058 /nfs/dbraw/zinc/84/40/58/1081844058.db2.gz BSGSFQXYNMITDX-IKGGRYGDSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109463897 1081844060 /nfs/dbraw/zinc/84/40/60/1081844060.db2.gz BSGSFQXYNMITDX-IKGGRYGDSA-N 2 1 323.525 3.019 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC23CCOCC3)CC1 ZINC001167283793 1081900737 /nfs/dbraw/zinc/90/07/37/1081900737.db2.gz MCDNWRHGUGAQSF-KRWDZBQOSA-N 2 1 308.510 3.388 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3c2OCC3)C1 ZINC001648816752 1081930003 /nfs/dbraw/zinc/93/00/03/1081930003.db2.gz HFURTZKFKXCVTD-MRXNPFEDSA-N 2 1 302.462 3.223 20 0 DGADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)n1 ZINC001648816675 1081930024 /nfs/dbraw/zinc/93/00/24/1081930024.db2.gz DIZDZCXLJQODEA-MRXNPFEDSA-N 2 1 306.498 3.203 20 0 DGADMP CCOc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC001648817173 1081930504 /nfs/dbraw/zinc/93/05/04/1081930504.db2.gz XKHAQXSFRCSHRP-INIZCTEOSA-N 2 1 305.466 3.082 20 0 DGADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1N(C)C)C[NH+]1CCCCC1 ZINC001648882462 1081953046 /nfs/dbraw/zinc/95/30/46/1081953046.db2.gz OZXSBYQQRFBZSZ-HNNXBMFYSA-N 2 1 307.457 3.103 20 0 DGADMP Cc1cc(N2CCC([NH2+]Cc3c(C)cccc3C)CC2)nc(C)[nH+]1 ZINC000091062202 1082042333 /nfs/dbraw/zinc/04/23/33/1082042333.db2.gz UAYGVMQLEUSUGQ-UHFFFAOYSA-N 2 1 324.472 3.469 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC001659250798 1082087332 /nfs/dbraw/zinc/08/73/32/1082087332.db2.gz ALUJQRLYLRYPOW-UHFFFAOYSA-N 2 1 315.255 3.206 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136335 1082176491 /nfs/dbraw/zinc/17/64/91/1082176491.db2.gz JUGJUJBEKTUAHS-PMPSAXMXSA-N 2 1 304.482 3.289 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239888 1082324007 /nfs/dbraw/zinc/32/40/07/1082324007.db2.gz NZLDDFDWYNABFH-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239888 1082324015 /nfs/dbraw/zinc/32/40/15/1082324015.db2.gz NZLDDFDWYNABFH-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239888 1082324024 /nfs/dbraw/zinc/32/40/24/1082324024.db2.gz NZLDDFDWYNABFH-YRPNKDGESA-N 2 1 314.473 3.008 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001170441570 1082452147 /nfs/dbraw/zinc/45/21/47/1082452147.db2.gz HYYPGDIVZOWJTE-MRXNPFEDSA-N 2 1 318.461 3.153 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001170441570 1082452152 /nfs/dbraw/zinc/45/21/52/1082452152.db2.gz HYYPGDIVZOWJTE-MRXNPFEDSA-N 2 1 318.461 3.153 20 0 DGADMP CC(C)Nc1cc[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170448232 1082470381 /nfs/dbraw/zinc/47/03/81/1082470381.db2.gz UPWPPRBECGVDCH-UHFFFAOYSA-N 2 1 305.470 3.360 20 0 DGADMP Cc1cc2c[nH+]c(NC3CC(C)(C)[NH+](C)C(C)(C)C3)nc2[nH]1 ZINC001170452531 1082478945 /nfs/dbraw/zinc/47/89/45/1082478945.db2.gz BEGGFLXXCAGEKE-UHFFFAOYSA-N 2 1 301.438 3.281 20 0 DGADMP CCCC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001167554306 1082507412 /nfs/dbraw/zinc/50/74/12/1082507412.db2.gz NGTZUJLXDZVKRB-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CCCC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001167554306 1082507415 /nfs/dbraw/zinc/50/74/15/1082507415.db2.gz NGTZUJLXDZVKRB-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP CCCCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167581303 1082554028 /nfs/dbraw/zinc/55/40/28/1082554028.db2.gz XAOQNIFIMSFAIY-UHFFFAOYSA-N 2 1 322.497 3.073 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC001167586892 1082566460 /nfs/dbraw/zinc/56/64/60/1082566460.db2.gz RWGRBYKXPMUPQO-UHFFFAOYSA-N 2 1 318.461 3.088 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC001167586892 1082566464 /nfs/dbraw/zinc/56/64/64/1082566464.db2.gz RWGRBYKXPMUPQO-UHFFFAOYSA-N 2 1 318.461 3.088 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708546207 1082843995 /nfs/dbraw/zinc/84/39/95/1082843995.db2.gz UHNIVIXWECNRDV-IEBWSBKVSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1cccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708546207 1082844001 /nfs/dbraw/zinc/84/40/01/1082844001.db2.gz UHNIVIXWECNRDV-IEBWSBKVSA-N 2 1 309.457 3.248 20 0 DGADMP CCC[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000708587673 1082868449 /nfs/dbraw/zinc/86/84/49/1082868449.db2.gz PRNGAIVMDGUOFL-YTQUADARSA-N 2 1 304.478 3.159 20 0 DGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309707640 1082897797 /nfs/dbraw/zinc/89/77/97/1082897797.db2.gz IGWYGZHMKATMJD-NXHRZFHOSA-N 2 1 304.503 3.240 20 0 DGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437936 1082909931 /nfs/dbraw/zinc/90/99/31/1082909931.db2.gz ZFHHQDKKKKWJME-PLQXZHKYSA-N 2 1 323.525 3.044 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001170672141 1083075036 /nfs/dbraw/zinc/07/50/36/1083075036.db2.gz GGWOMRTVOASPBY-HNNXBMFYSA-N 2 1 306.400 3.039 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000708853767 1083102150 /nfs/dbraw/zinc/10/21/50/1083102150.db2.gz HYTYOYOUHHNBOV-CMPLNLGQSA-N 2 1 304.381 3.325 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001352849530 1083120595 /nfs/dbraw/zinc/12/05/95/1083120595.db2.gz MMHNELIJGOCHSX-YYQBIWNASA-N 2 1 304.415 3.172 20 0 DGADMP Cc1cc(NC2CC2)nc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001167748868 1083597102 /nfs/dbraw/zinc/59/71/02/1083597102.db2.gz SZROXMLVDLIZGF-AWEZNQCLSA-N 2 1 303.454 3.036 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000695891513 1083649552 /nfs/dbraw/zinc/64/95/52/1083649552.db2.gz KIRWGJFVQKVPRQ-AWEZNQCLSA-N 2 1 321.465 3.463 20 0 DGADMP C[C@H](CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC001183102735 1083878044 /nfs/dbraw/zinc/87/80/44/1083878044.db2.gz FVFXZOMTCFEHRC-CQSZACIVSA-N 2 1 306.450 3.072 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC001183225852 1083901208 /nfs/dbraw/zinc/90/12/08/1083901208.db2.gz CRBNXFRQXCGLOA-UHFFFAOYSA-N 2 1 312.379 3.405 20 0 DGADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001183282005 1083907374 /nfs/dbraw/zinc/90/73/74/1083907374.db2.gz QPPOGXLYJNAWFM-SXLOBPIMSA-N 2 1 318.505 3.405 20 0 DGADMP COCC[N@@H+](C[C@H](C)c1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC001183256798 1083913050 /nfs/dbraw/zinc/91/30/50/1083913050.db2.gz RDADWRQLJBUPIY-SFHVURJKSA-N 2 1 318.505 3.389 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205280776 1084016714 /nfs/dbraw/zinc/01/67/14/1084016714.db2.gz ISIVKZYWCXJZHS-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205280776 1084016723 /nfs/dbraw/zinc/01/67/23/1084016723.db2.gz ISIVKZYWCXJZHS-CQSZACIVSA-N 2 1 320.330 3.428 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)CC1 ZINC001184374764 1084167085 /nfs/dbraw/zinc/16/70/85/1084167085.db2.gz QHJDXWSIDAGEQS-KRWDZBQOSA-N 2 1 318.509 3.159 20 0 DGADMP C[C@@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205295684 1084167309 /nfs/dbraw/zinc/16/73/09/1084167309.db2.gz AYEYPZYNVROIHP-TZMCWYRMSA-N 2 1 300.368 3.165 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001167841916 1084182361 /nfs/dbraw/zinc/18/23/61/1084182361.db2.gz UNNMQJWYUJVHSZ-INIZCTEOSA-N 2 1 320.477 3.416 20 0 DGADMP Cc1nc(OCc2ccccc2)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167915773 1084679786 /nfs/dbraw/zinc/67/97/86/1084679786.db2.gz XWRVBEGDONIJOV-UHFFFAOYSA-N 2 1 316.430 3.008 20 0 DGADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4C[C@H]4C2)CC3)c1 ZINC001167940889 1084882331 /nfs/dbraw/zinc/88/23/31/1084882331.db2.gz NTJUUUPLVWCGQJ-BWTSREIZSA-N 2 1 311.473 3.168 20 0 DGADMP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001482223071 1085413028 /nfs/dbraw/zinc/41/30/28/1085413028.db2.gz PHNJIWVBWAYRCK-QGZVFWFLSA-N 2 1 323.525 3.070 20 0 DGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167963783 1085820450 /nfs/dbraw/zinc/82/04/50/1085820450.db2.gz DLUJIOMJFSKNHD-AYHJJNSGSA-N 2 1 300.446 3.190 20 0 DGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965855 1085862871 /nfs/dbraw/zinc/86/28/71/1085862871.db2.gz NXXCNKNWFHJKSG-IPQPSQTFSA-N 2 1 311.473 3.454 20 0 DGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965855 1085862881 /nfs/dbraw/zinc/86/28/81/1085862881.db2.gz NXXCNKNWFHJKSG-IPQPSQTFSA-N 2 1 311.473 3.454 20 0 DGADMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C(C)(C)N1O ZINC001167969297 1085900614 /nfs/dbraw/zinc/90/06/14/1085900614.db2.gz BEPYDSSHSNEIJT-NPYXIHBLSA-N 2 1 321.509 3.002 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204742766 1085900808 /nfs/dbraw/zinc/90/08/08/1085900808.db2.gz UBPHRNPWZOJEQS-UHFFFAOYSA-N 2 1 306.425 3.190 20 0 DGADMP Cc1cccc([C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167978122 1085927205 /nfs/dbraw/zinc/92/72/05/1085927205.db2.gz JLKCVVMDRIAUIH-RAFMOHDBSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1cccc([C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167978122 1085927218 /nfs/dbraw/zinc/92/72/18/1085927218.db2.gz JLKCVVMDRIAUIH-RAFMOHDBSA-N 2 1 314.473 3.023 20 0 DGADMP COc1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995531 1086063545 /nfs/dbraw/zinc/06/35/45/1086063545.db2.gz JILHIMUDFWCMAL-DFNIBXOVSA-N 2 1 312.457 3.416 20 0 DGADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995531 1086063555 /nfs/dbraw/zinc/06/35/55/1086063555.db2.gz JILHIMUDFWCMAL-DFNIBXOVSA-N 2 1 312.457 3.416 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995531 1086063565 /nfs/dbraw/zinc/06/35/65/1086063565.db2.gz JILHIMUDFWCMAL-DFNIBXOVSA-N 2 1 312.457 3.416 20 0 DGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995531 1086063574 /nfs/dbraw/zinc/06/35/74/1086063574.db2.gz JILHIMUDFWCMAL-DFNIBXOVSA-N 2 1 312.457 3.416 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004378 1086133584 /nfs/dbraw/zinc/13/35/84/1086133584.db2.gz UZFXLVCSALKNCR-PTKMUVKOSA-N 2 1 304.478 3.034 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004378 1086133588 /nfs/dbraw/zinc/13/35/88/1086133588.db2.gz UZFXLVCSALKNCR-PTKMUVKOSA-N 2 1 304.478 3.034 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004378 1086133593 /nfs/dbraw/zinc/13/35/93/1086133593.db2.gz UZFXLVCSALKNCR-PTKMUVKOSA-N 2 1 304.478 3.034 20 0 DGADMP CC[N@H+]1CC[C@@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168033426 1086472779 /nfs/dbraw/zinc/47/27/79/1086472779.db2.gz LMBMFXASXARFNB-ZHALLVOQSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033908 1086473880 /nfs/dbraw/zinc/47/38/80/1086473880.db2.gz NBAMVMGVJDFJDE-PIKOESSRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033905 1086474007 /nfs/dbraw/zinc/47/40/07/1086474007.db2.gz NBAMVMGVJDFJDE-HNJRGHQBSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@H](CO)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039181 1086496809 /nfs/dbraw/zinc/49/68/09/1086496809.db2.gz BYLLFYJYOXBMBA-LMMKCTJWSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCC[C@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039181 1086496814 /nfs/dbraw/zinc/49/68/14/1086496814.db2.gz BYLLFYJYOXBMBA-LMMKCTJWSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039181 1086496819 /nfs/dbraw/zinc/49/68/19/1086496819.db2.gz BYLLFYJYOXBMBA-LMMKCTJWSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1COCCN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039169 1086497034 /nfs/dbraw/zinc/49/70/34/1086497034.db2.gz BQFNHSGWEMKZFF-SFNKJDCFSA-N 2 1 302.462 3.149 20 0 DGADMP COC[C@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168060879 1086639113 /nfs/dbraw/zinc/63/91/13/1086639113.db2.gz YQAHYOMCPLJYLH-LNLFQRSKSA-N 2 1 316.489 3.396 20 0 DGADMP COC[C@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168060879 1086639122 /nfs/dbraw/zinc/63/91/22/1086639122.db2.gz YQAHYOMCPLJYLH-LNLFQRSKSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC(N2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063145 1086647115 /nfs/dbraw/zinc/64/71/15/1086647115.db2.gz MEVSMEKLDBKWPH-KZNAEPCWSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@H]2CC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065187 1086659945 /nfs/dbraw/zinc/65/99/45/1086659945.db2.gz UNWLNPBZZXNYGC-HNJRGHQBSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@H]2CC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065187 1086659951 /nfs/dbraw/zinc/65/99/51/1086659951.db2.gz UNWLNPBZZXNYGC-HNJRGHQBSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@@H](N(C)[C@H]2CC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065187 1086659956 /nfs/dbraw/zinc/65/99/56/1086659956.db2.gz UNWLNPBZZXNYGC-HNJRGHQBSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103672 1086887795 /nfs/dbraw/zinc/88/77/95/1086887795.db2.gz SIXJFDBBUHMDQJ-UTRMSSBJSA-N 2 1 320.452 3.465 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC001168275141 1087220067 /nfs/dbraw/zinc/22/00/67/1087220067.db2.gz KPAAOYKFUUZBJN-UHFFFAOYSA-N 2 1 323.343 3.035 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC001168275141 1087220071 /nfs/dbraw/zinc/22/00/71/1087220071.db2.gz KPAAOYKFUUZBJN-UHFFFAOYSA-N 2 1 323.343 3.035 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001168300537 1087286333 /nfs/dbraw/zinc/28/63/33/1087286333.db2.gz ZUQNPWYYWNSTMY-UHFFFAOYSA-N 2 1 319.537 3.089 20 0 DGADMP C[NH+](C)C1CCC([N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001168326550 1087295209 /nfs/dbraw/zinc/29/52/09/1087295209.db2.gz AYGQDHLJMYVMPE-JTTJXQCZSA-N 2 1 324.415 3.211 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001168326550 1087295215 /nfs/dbraw/zinc/29/52/15/1087295215.db2.gz AYGQDHLJMYVMPE-JTTJXQCZSA-N 2 1 324.415 3.211 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168329399 1087296368 /nfs/dbraw/zinc/29/63/68/1087296368.db2.gz RVFLUOWDHOBBNU-WWDZGPRUSA-N 2 1 302.462 3.357 20 0 DGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001168329598 1087296430 /nfs/dbraw/zinc/29/64/30/1087296430.db2.gz YLSALOICRQEARA-UHFFFAOYSA-N 2 1 312.461 3.177 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001168331081 1087297238 /nfs/dbraw/zinc/29/72/38/1087297238.db2.gz YMYMWMRKYPOSBP-WWDZGPRUSA-N 2 1 300.446 3.064 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168351612 1087304207 /nfs/dbraw/zinc/30/42/07/1087304207.db2.gz VVAPUYYNXKEWNC-QGZVFWFLSA-N 2 1 300.446 3.283 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168353090 1087305162 /nfs/dbraw/zinc/30/51/62/1087305162.db2.gz KFSWUZRIAJYRAT-AWEZNQCLSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000697848125 1087343451 /nfs/dbraw/zinc/34/34/51/1087343451.db2.gz CWSWXSUOYIVUOG-JTQLQIEISA-N 2 1 303.219 3.018 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168362866 1087372219 /nfs/dbraw/zinc/37/22/19/1087372219.db2.gz LWRUMKGHMFDFCR-GOSISDBHSA-N 2 1 300.446 3.283 20 0 DGADMP c1ccc(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168371076 1087445198 /nfs/dbraw/zinc/44/51/98/1087445198.db2.gz CNUGRWZJQXHKGA-UHFFFAOYSA-N 2 1 314.473 3.404 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC001212145569 1087539867 /nfs/dbraw/zinc/53/98/67/1087539867.db2.gz XFPCSJJMYOQMMY-AWEZNQCLSA-N 2 1 306.385 3.044 20 0 DGADMP Fc1cccc([C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168387336 1087547237 /nfs/dbraw/zinc/54/72/37/1087547237.db2.gz DSFFKHSSYFEVNQ-KRWDZBQOSA-N 2 1 302.437 3.489 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010789 1087600538 /nfs/dbraw/zinc/60/05/38/1087600538.db2.gz BFCMFYUMDOBNBH-LBPRGKRZSA-N 2 1 311.267 3.442 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(N(C)C)[nH+]c(C)n1 ZINC001158729777 1087997298 /nfs/dbraw/zinc/99/72/98/1087997298.db2.gz NHYUIUXATBMMIO-OAHLLOKOSA-N 2 1 311.433 3.091 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313428 1088214164 /nfs/dbraw/zinc/21/41/64/1088214164.db2.gz QPWFFQDWUOOARK-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313428 1088214179 /nfs/dbraw/zinc/21/41/79/1088214179.db2.gz QPWFFQDWUOOARK-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313428 1088214193 /nfs/dbraw/zinc/21/41/93/1088214193.db2.gz QPWFFQDWUOOARK-GNBGVQPESA-N 2 1 323.525 3.042 20 0 DGADMP Brc1ccc2[nH+]cc(NC=CC3CC[NH2+]CC3)n2c1 ZINC001159204333 1088232106 /nfs/dbraw/zinc/23/21/06/1088232106.db2.gz VQLUNDLGFFQZJW-VMPITWQZSA-N 2 1 321.222 3.022 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(CO)cc1 ZINC001203193360 1088301574 /nfs/dbraw/zinc/30/15/74/1088301574.db2.gz UESAJBKOLFNTCE-OALUTQOASA-N 2 1 302.462 3.018 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)cc1 ZINC001203193360 1088301584 /nfs/dbraw/zinc/30/15/84/1088301584.db2.gz UESAJBKOLFNTCE-OALUTQOASA-N 2 1 302.462 3.018 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(CO)cc1 ZINC001203193360 1088301598 /nfs/dbraw/zinc/30/15/98/1088301598.db2.gz UESAJBKOLFNTCE-OALUTQOASA-N 2 1 302.462 3.018 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001206649563 1088348190 /nfs/dbraw/zinc/34/81/90/1088348190.db2.gz WAERTNJRFVPGCR-MRXNPFEDSA-N 2 1 313.420 3.449 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001235751386 1088392925 /nfs/dbraw/zinc/39/29/25/1088392925.db2.gz XPFRPNODQSZXDH-CYBMUJFWSA-N 2 1 319.246 3.383 20 0 DGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880097 1088396764 /nfs/dbraw/zinc/39/67/64/1088396764.db2.gz YGFFBXUCNMRMCG-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880097 1088396775 /nfs/dbraw/zinc/39/67/75/1088396775.db2.gz YGFFBXUCNMRMCG-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880097 1088396784 /nfs/dbraw/zinc/39/67/84/1088396784.db2.gz YGFFBXUCNMRMCG-BTFXCVNISA-N 2 1 323.525 3.044 20 0 DGADMP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842640 1088419638 /nfs/dbraw/zinc/41/96/38/1088419638.db2.gz QKTKQTGPVCOBEN-LBPRGKRZSA-N 2 1 304.381 3.340 20 0 DGADMP [NH3+][C@@H]1CCCN(c2ccccc2Nc2ccc3[nH]c[nH+]c3c2)C1 ZINC001159978782 1088584166 /nfs/dbraw/zinc/58/41/66/1088584166.db2.gz XQFUMTHRANJLHI-CYBMUJFWSA-N 2 1 307.401 3.234 20 0 DGADMP [NH3+][C@H]1CCCN(c2ccc(Nc3cc[nH+]c4ccccc34)cc2)C1 ZINC001159980026 1088584907 /nfs/dbraw/zinc/58/49/07/1088584907.db2.gz ADNPAJQOMVIFEO-HNNXBMFYSA-N 2 1 318.424 3.328 20 0 DGADMP COc1ccc2c(C)cc(NC[C@]3(F)CCCC[NH2+]C3)[nH+]c2c1 ZINC001155116404 1088956164 /nfs/dbraw/zinc/95/61/64/1088956164.db2.gz ITRQLTPIWCETSQ-SFHVURJKSA-N 2 1 317.408 3.446 20 0 DGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180599 1088992477 /nfs/dbraw/zinc/99/24/77/1088992477.db2.gz HKJYCSKPIMDPAM-IAGOWNOFSA-N 2 1 313.530 3.124 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Br)c1 ZINC001236413157 1089089854 /nfs/dbraw/zinc/08/98/54/1089089854.db2.gz FBBZVWHEDZRSIA-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001236413157 1089089872 /nfs/dbraw/zinc/08/98/72/1089089872.db2.gz FBBZVWHEDZRSIA-WFASDCNBSA-N 2 1 311.267 3.193 20 0 DGADMP Cc1cc2c(nc[nH+]c2NC2CC[NH+](CC(C)(C)C)CC2)[nH]1 ZINC001161207415 1089156326 /nfs/dbraw/zinc/15/63/26/1089156326.db2.gz POEKQSIVPMLRSB-UHFFFAOYSA-N 2 1 301.438 3.189 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC001155588306 1089176782 /nfs/dbraw/zinc/17/67/82/1089176782.db2.gz UHXCXWQMSTYANY-LAVFITLUSA-N 2 1 314.477 3.038 20 0 DGADMP Cc1ccc(C)c(CCNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001161832858 1089431843 /nfs/dbraw/zinc/43/18/43/1089431843.db2.gz TWHLRWZWKBDCEG-UHFFFAOYSA-N 2 1 320.440 3.293 20 0 DGADMP C[N@H+]1CC[C@H](Nc2[nH+]ccc3c2ccn3Cc2ccccc2)C1 ZINC001156581357 1089594035 /nfs/dbraw/zinc/59/40/35/1089594035.db2.gz YPJFCLVAJWUMJO-INIZCTEOSA-N 2 1 306.413 3.201 20 0 DGADMP FC1CC(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001162212693 1089608398 /nfs/dbraw/zinc/60/83/98/1089608398.db2.gz XADHYSLPUZUWEK-PESDSKBTSA-N 2 1 302.397 3.263 20 0 DGADMP COc1cc2cc[nH+]c(NC3C[NH+](C(C)(C)C)C3)c2cc1OC ZINC001162221091 1089614197 /nfs/dbraw/zinc/61/41/97/1089614197.db2.gz HQYVXKIFGRXJRC-UHFFFAOYSA-N 2 1 315.417 3.147 20 0 DGADMP C[C@H]1C[NH2+]CCC[C@H]1C[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001162464929 1089746637 /nfs/dbraw/zinc/74/66/37/1089746637.db2.gz AMWDDMGJSJWSHQ-YJBOKZPZSA-N 2 1 313.489 3.433 20 0 DGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961424 1089762535 /nfs/dbraw/zinc/76/25/35/1089762535.db2.gz QWYIRKIQBUKBNL-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP C[N@H+]1CCCC[C@H]1c1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580169 1089804820 /nfs/dbraw/zinc/80/48/20/1089804820.db2.gz NUTCGHNJQNHFNS-WMZOPIPTSA-N 2 1 320.456 3.132 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001157406070 1089949647 /nfs/dbraw/zinc/94/96/47/1089949647.db2.gz XRWVNLXOONJBKN-MRXNPFEDSA-N 2 1 302.466 3.183 20 0 DGADMP Cc1cccc2cc[nH+]c(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)c12 ZINC001163135309 1090086300 /nfs/dbraw/zinc/08/63/00/1090086300.db2.gz BXIQYVVOADRWON-UHFFFAOYSA-N 2 1 320.440 3.089 20 0 DGADMP Cc1cc[nH+]c2cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc12 ZINC001163284861 1090139184 /nfs/dbraw/zinc/13/91/84/1090139184.db2.gz ONARMYBFCDTSLN-HNAYVOBHSA-N 2 1 311.429 3.114 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CCC[NH+](C)C)nc1 ZINC001163600993 1090217330 /nfs/dbraw/zinc/21/73/30/1090217330.db2.gz XGASGSTXBIYTQN-QGZVFWFLSA-N 2 1 304.482 3.016 20 0 DGADMP C[NH+](C)C1(CNc2ccc(F)c3ccccc23)CC[NH+](C)CC1 ZINC001164210762 1090372879 /nfs/dbraw/zinc/37/28/79/1090372879.db2.gz IOKNREIIZVVUMA-UHFFFAOYSA-N 2 1 315.436 3.417 20 0 DGADMP Cc1cc(C)nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165085131 1090461816 /nfs/dbraw/zinc/46/18/16/1090461816.db2.gz LQJWVNSEDVIOED-RTBURBONSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165085131 1090461817 /nfs/dbraw/zinc/46/18/17/1090461817.db2.gz LQJWVNSEDVIOED-RTBURBONSA-N 2 1 307.441 3.409 20 0 DGADMP Cc1cc(C)[nH+]c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165085131 1090461822 /nfs/dbraw/zinc/46/18/22/1090461822.db2.gz LQJWVNSEDVIOED-RTBURBONSA-N 2 1 307.441 3.409 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cccc(N)n1 ZINC001165184360 1090476407 /nfs/dbraw/zinc/47/64/07/1090476407.db2.gz WUPHYVBKOCFOMB-DOTOQJQBSA-N 2 1 310.445 3.011 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cccc(N)[nH+]1 ZINC001165184360 1090476409 /nfs/dbraw/zinc/47/64/09/1090476409.db2.gz WUPHYVBKOCFOMB-DOTOQJQBSA-N 2 1 310.445 3.011 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cccc(N)[nH+]1 ZINC001165184360 1090476412 /nfs/dbraw/zinc/47/64/12/1090476412.db2.gz WUPHYVBKOCFOMB-DOTOQJQBSA-N 2 1 310.445 3.011 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCC(C)(C)C ZINC001168595596 1090595920 /nfs/dbraw/zinc/59/59/20/1090595920.db2.gz LQWDUPMBXWYSGW-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP C[NH+]1CCC(COc2ccccc2Nc2ccc[nH+]c2N)CC1 ZINC001212408604 1090630258 /nfs/dbraw/zinc/63/02/58/1090630258.db2.gz JJHFWJIJQNLKPU-UHFFFAOYSA-N 2 1 312.417 3.128 20 0 DGADMP Cc1nc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)cc(N(C)C)[nH+]1 ZINC001166649654 1090635607 /nfs/dbraw/zinc/63/56/07/1090635607.db2.gz BIGVVICENIENKT-HNNXBMFYSA-N 2 1 321.428 3.219 20 0 DGADMP COc1c(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC001205033770 1090672399 /nfs/dbraw/zinc/67/23/99/1090672399.db2.gz SHIBPYXZYYFFGN-UHFFFAOYSA-N 2 1 303.233 3.173 20 0 DGADMP COc1ccccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001203432572 1090734092 /nfs/dbraw/zinc/73/40/92/1090734092.db2.gz RDCRHYAAPZBXEC-UHFFFAOYSA-N 2 1 311.429 3.138 20 0 DGADMP c1c[nH]c(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001203981297 1090857524 /nfs/dbraw/zinc/85/75/24/1090857524.db2.gz JBVIGHPIDQWQGG-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001203981297 1090857533 /nfs/dbraw/zinc/85/75/33/1090857533.db2.gz JBVIGHPIDQWQGG-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@H]2C1 ZINC001204089269 1090898733 /nfs/dbraw/zinc/89/87/33/1090898733.db2.gz LSTOSTDXDYZABR-UBHSHLNASA-N 2 1 319.499 3.301 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@H]2C1 ZINC001204089269 1090898738 /nfs/dbraw/zinc/89/87/38/1090898738.db2.gz LSTOSTDXDYZABR-UBHSHLNASA-N 2 1 319.499 3.301 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@@H]2C1 ZINC001204089268 1090899344 /nfs/dbraw/zinc/89/93/44/1090899344.db2.gz LSTOSTDXDYZABR-IACUBPJLSA-N 2 1 319.499 3.301 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@@H]2C1 ZINC001204089268 1090899353 /nfs/dbraw/zinc/89/93/53/1090899353.db2.gz LSTOSTDXDYZABR-IACUBPJLSA-N 2 1 319.499 3.301 20 0 DGADMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276442211 1090905065 /nfs/dbraw/zinc/90/50/65/1090905065.db2.gz ALQAZHQDKSKLNW-OALUTQOASA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCCO1)[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276442211 1090905068 /nfs/dbraw/zinc/90/50/68/1090905068.db2.gz ALQAZHQDKSKLNW-OALUTQOASA-N 2 1 306.494 3.286 20 0 DGADMP C([C@@H]1CCCCO1)[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276442211 1090905072 /nfs/dbraw/zinc/90/50/72/1090905072.db2.gz ALQAZHQDKSKLNW-OALUTQOASA-N 2 1 306.494 3.286 20 0 DGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2)cc1 ZINC001204138481 1090907053 /nfs/dbraw/zinc/90/70/53/1090907053.db2.gz JKANTCXSJDCLJG-UHFFFAOYSA-N 2 1 323.484 3.033 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168698092 1090921638 /nfs/dbraw/zinc/92/16/38/1090921638.db2.gz JSNKELKBGYVXJR-LVQVYYBASA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168698092 1090921642 /nfs/dbraw/zinc/92/16/42/1090921642.db2.gz JSNKELKBGYVXJR-LVQVYYBASA-N 2 1 304.865 3.412 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+](C)Cc2cncs2)cc1 ZINC001204271852 1090937258 /nfs/dbraw/zinc/93/72/58/1090937258.db2.gz RSFVTXQGNGCOSW-UHFFFAOYSA-N 2 1 319.474 3.106 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2cncs2)cc1 ZINC001204271852 1090937263 /nfs/dbraw/zinc/93/72/63/1090937263.db2.gz RSFVTXQGNGCOSW-UHFFFAOYSA-N 2 1 319.474 3.106 20 0 DGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204269807 1090937370 /nfs/dbraw/zinc/93/73/70/1090937370.db2.gz KFONWSHOVZOJBK-GOSISDBHSA-N 2 1 320.477 3.018 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CCN(C)C)C[C@H]2CC1 ZINC001276463683 1090965827 /nfs/dbraw/zinc/96/58/27/1090965827.db2.gz ZYDZKGLLNDDYEJ-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]2CC1 ZINC001276463683 1090965833 /nfs/dbraw/zinc/96/58/33/1090965833.db2.gz ZYDZKGLLNDDYEJ-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]2CC1 ZINC001276463683 1090965838 /nfs/dbraw/zinc/96/58/38/1090965838.db2.gz ZYDZKGLLNDDYEJ-SLFFLAALSA-N 2 1 323.569 3.408 20 0 DGADMP CC/C=C\CCC[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276466179 1090973639 /nfs/dbraw/zinc/97/36/39/1090973639.db2.gz YSPYNUHQCFFYER-VOFKWLDRSA-N 2 1 307.526 3.082 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615276 1091007318 /nfs/dbraw/zinc/00/73/18/1091007318.db2.gz HCZYQNZOEPSCKH-CRAIPNDOSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1Cc2cc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2O1 ZINC001204615276 1091007326 /nfs/dbraw/zinc/00/73/26/1091007326.db2.gz HCZYQNZOEPSCKH-CRAIPNDOSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)ccc2O1 ZINC001204615276 1091007331 /nfs/dbraw/zinc/00/73/31/1091007331.db2.gz HCZYQNZOEPSCKH-CRAIPNDOSA-N 2 1 302.462 3.316 20 0 DGADMP C[C@@H]1Cc2cc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)ccc2O1 ZINC001204615276 1091007338 /nfs/dbraw/zinc/00/73/38/1091007338.db2.gz HCZYQNZOEPSCKH-CRAIPNDOSA-N 2 1 302.462 3.316 20 0 DGADMP c1cc2n(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]2c1ccccc1 ZINC001204878134 1091053593 /nfs/dbraw/zinc/05/35/93/1091053593.db2.gz YAHUXCLAPIMCNX-YLJYHZDGSA-N 2 1 309.457 3.283 20 0 DGADMP C[C@@H]1CN(Cc2cccc(C[NH3+])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204896860 1091057787 /nfs/dbraw/zinc/05/77/87/1091057787.db2.gz QLFDBELQBXFRCY-MSOLQXFVSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH3+])c2)[C@@H](C)CN1Cc1ccccc1 ZINC001204896860 1091057791 /nfs/dbraw/zinc/05/77/91/1091057791.db2.gz QLFDBELQBXFRCY-MSOLQXFVSA-N 2 1 323.484 3.240 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)[C@@H](C)CN1Cc1ccccc1 ZINC001204896860 1091057796 /nfs/dbraw/zinc/05/77/96/1091057796.db2.gz QLFDBELQBXFRCY-MSOLQXFVSA-N 2 1 323.484 3.240 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001204921847 1091064245 /nfs/dbraw/zinc/06/42/45/1091064245.db2.gz CVLBZWMXHDOKFE-UHFFFAOYSA-N 2 1 308.441 3.387 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001205001210 1091080379 /nfs/dbraw/zinc/08/03/79/1091080379.db2.gz POAIXFDQAUZKEF-CQSZACIVSA-N 2 1 300.368 3.179 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205009478 1091083150 /nfs/dbraw/zinc/08/31/50/1091083150.db2.gz UFSNTHHRUMJPEB-INIZCTEOSA-N 2 1 302.462 3.222 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205009478 1091083156 /nfs/dbraw/zinc/08/31/56/1091083156.db2.gz UFSNTHHRUMJPEB-INIZCTEOSA-N 2 1 302.462 3.222 20 0 DGADMP C[NH+](C)CC1(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)CCCC1 ZINC001276478439 1091084392 /nfs/dbraw/zinc/08/43/92/1091084392.db2.gz ZVEMPJIIJUAPFX-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2c(Cl)cccc2OC(F)(F)F)CC1 ZINC001205033742 1091088685 /nfs/dbraw/zinc/08/86/85/1091088685.db2.gz PEYRDUGRVMQPRP-UHFFFAOYSA-N 2 1 322.758 3.409 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001205093640 1091101003 /nfs/dbraw/zinc/10/10/03/1091101003.db2.gz CZHKWQVAQVAYET-AWEZNQCLSA-N 2 1 300.368 3.451 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)s2)cc1 ZINC001205140496 1091111061 /nfs/dbraw/zinc/11/10/61/1091111061.db2.gz JUILPROHXBJBMH-DZGCQCFKSA-N 2 1 316.470 3.450 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)Cc2ccccc21 ZINC001205164255 1091116271 /nfs/dbraw/zinc/11/62/71/1091116271.db2.gz BMGQJDFOVWLQFT-QGZVFWFLSA-N 2 1 321.468 3.216 20 0 DGADMP COCC[N@H+](Cc1[nH]c2ccccc2c1C)C1CCN(C)CC1 ZINC001138402007 1091169995 /nfs/dbraw/zinc/16/99/95/1091169995.db2.gz GUONICFXPXFHCU-UHFFFAOYSA-N 2 1 315.461 3.019 20 0 DGADMP COCC[N@@H+](Cc1[nH]c2ccccc2c1C)C1CCN(C)CC1 ZINC001138402007 1091170004 /nfs/dbraw/zinc/17/00/04/1091170004.db2.gz GUONICFXPXFHCU-UHFFFAOYSA-N 2 1 315.461 3.019 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303253 1091173159 /nfs/dbraw/zinc/17/31/59/1091173159.db2.gz BOUCHBDINUJLTH-FZMZJTMJSA-N 2 1 316.367 3.310 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303443 1091173204 /nfs/dbraw/zinc/17/32/04/1091173204.db2.gz FQCVDVMPIBDGKT-TZMCWYRMSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303443 1091173208 /nfs/dbraw/zinc/17/32/08/1091173208.db2.gz FQCVDVMPIBDGKT-TZMCWYRMSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C[C@@H]1C[NH3+] ZINC001205316408 1091179917 /nfs/dbraw/zinc/17/99/17/1091179917.db2.gz IHNVTCKHNYXYEZ-ZBFHGGJFSA-N 2 1 313.420 3.304 20 0 DGADMP Cc1ccc(-c2cncc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC001205315945 1091180363 /nfs/dbraw/zinc/18/03/63/1091180363.db2.gz ICUSBPICFVXIQF-OXJNMPFZSA-N 2 1 309.457 3.474 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C[C@@H]1C[NH3+] ZINC001205315393 1091180543 /nfs/dbraw/zinc/18/05/43/1091180543.db2.gz FWTXALAFEGLXCP-ZFWWWQNUSA-N 2 1 301.409 3.238 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC001205316437 1091180991 /nfs/dbraw/zinc/18/09/91/1091180991.db2.gz IXIMFICMZPNEHV-RDTXWAMCSA-N 2 1 313.420 3.304 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205319029 1091183587 /nfs/dbraw/zinc/18/35/87/1091183587.db2.gz XTJCDHJPSDWJFJ-YPMHNXCESA-N 2 1 316.367 3.131 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205319029 1091183594 /nfs/dbraw/zinc/18/35/94/1091183594.db2.gz XTJCDHJPSDWJFJ-YPMHNXCESA-N 2 1 316.367 3.131 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC001138549006 1091225216 /nfs/dbraw/zinc/22/52/16/1091225216.db2.gz NPWKOCWKVJCAGG-UHFFFAOYSA-N 2 1 321.428 3.214 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC001138549199 1091226459 /nfs/dbraw/zinc/22/64/59/1091226459.db2.gz RAVGMWHZMAHSLC-LJQANCHMSA-N 2 1 311.429 3.183 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC001138549199 1091226468 /nfs/dbraw/zinc/22/64/68/1091226468.db2.gz RAVGMWHZMAHSLC-LJQANCHMSA-N 2 1 311.429 3.183 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1OCC ZINC001205559015 1091253259 /nfs/dbraw/zinc/25/32/59/1091253259.db2.gz NBEGGXIAWZQJFD-SFHVURJKSA-N 2 1 324.440 3.137 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OCC)c1 ZINC001205558872 1091253445 /nfs/dbraw/zinc/25/34/45/1091253445.db2.gz KTNQCXKSHNCUEH-SFHVURJKSA-N 2 1 324.440 3.137 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205558899 1091253904 /nfs/dbraw/zinc/25/39/04/1091253904.db2.gz LHOBROHHQGVLQA-GOSISDBHSA-N 2 1 316.424 3.038 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001205558195 1091254012 /nfs/dbraw/zinc/25/40/12/1091254012.db2.gz CHQWGYSTUZYEEP-INIZCTEOSA-N 2 1 309.816 3.474 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001205559762 1091254377 /nfs/dbraw/zinc/25/43/77/1091254377.db2.gz UOPDQBCPWXAQBN-SFHVURJKSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2-c2ccncc2)CC1 ZINC001205578413 1091264989 /nfs/dbraw/zinc/26/49/89/1091264989.db2.gz BDCCDTIZNCDBDE-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccn1-c1ccccc1F ZINC001138635781 1091268937 /nfs/dbraw/zinc/26/89/37/1091268937.db2.gz HRFSVJWJXGUGMG-UHFFFAOYSA-N 2 1 303.425 3.390 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccn1-c1ccccc1F ZINC001138635781 1091268943 /nfs/dbraw/zinc/26/89/43/1091268943.db2.gz HRFSVJWJXGUGMG-UHFFFAOYSA-N 2 1 303.425 3.390 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2C2CCOCC2)CC1 ZINC001205591757 1091270509 /nfs/dbraw/zinc/27/05/09/1091270509.db2.gz OWHRNYRHUCSXLX-LJQANCHMSA-N 2 1 320.452 3.234 20 0 DGADMP C[C@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205637526 1091289828 /nfs/dbraw/zinc/28/98/28/1091289828.db2.gz HTMRYRBSQLEXDG-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205637526 1091289836 /nfs/dbraw/zinc/28/98/36/1091289836.db2.gz HTMRYRBSQLEXDG-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@@H]1C[NH3+] ZINC001205638577 1091291724 /nfs/dbraw/zinc/29/17/24/1091291724.db2.gz PKYHXQWXMLRFFM-NWDGAFQWSA-N 2 1 306.841 3.023 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651369 1091296961 /nfs/dbraw/zinc/29/69/61/1091296961.db2.gz DBIINOQECDQUJF-CABCVRRESA-N 2 1 308.441 3.421 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)CC[C@@H]1C[NH3+] ZINC001205652229 1091297610 /nfs/dbraw/zinc/29/76/10/1091297610.db2.gz OQKNAOBJHQVTJK-DOTOQJQBSA-N 2 1 319.468 3.233 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001205682727 1091309697 /nfs/dbraw/zinc/30/96/97/1091309697.db2.gz UAHRXTDGBBMCNL-HXUWFJFHSA-N 2 1 324.424 3.262 20 0 DGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001205683115 1091309971 /nfs/dbraw/zinc/30/99/71/1091309971.db2.gz XVFONAGICBXGLQ-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cnoc1)CC2 ZINC001205685499 1091312446 /nfs/dbraw/zinc/31/24/46/1091312446.db2.gz YJPYIPNSJDDSFL-KRWDZBQOSA-N 2 1 315.417 3.144 20 0 DGADMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)c2c(OC)cccc12 ZINC001138749862 1091313157 /nfs/dbraw/zinc/31/31/57/1091313157.db2.gz JFRTYUHRKWARDP-UHFFFAOYSA-N 2 1 316.445 3.241 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)c2c(OC)cccc12 ZINC001138749862 1091313167 /nfs/dbraw/zinc/31/31/67/1091313167.db2.gz JFRTYUHRKWARDP-UHFFFAOYSA-N 2 1 316.445 3.241 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001138770223 1091322985 /nfs/dbraw/zinc/32/29/85/1091322985.db2.gz TYMHCVJHZSAPDH-IAGOWNOFSA-N 2 1 304.478 3.495 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC001137597570 1091365083 /nfs/dbraw/zinc/36/50/83/1091365083.db2.gz AEGFOCTXTXGHNN-UHFFFAOYSA-N 2 1 307.507 3.477 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904672 1091401490 /nfs/dbraw/zinc/40/14/90/1091401490.db2.gz WHZZPWOLDIYFRR-WBVHZDCISA-N 2 1 311.429 3.433 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2ccccc2)nc1 ZINC001205904672 1091401498 /nfs/dbraw/zinc/40/14/98/1091401498.db2.gz WHZZPWOLDIYFRR-WBVHZDCISA-N 2 1 311.429 3.433 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913911 1091407575 /nfs/dbraw/zinc/40/75/75/1091407575.db2.gz KNZDHSOCLHWABI-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1nc2ccccc2cc1Cl ZINC001205913911 1091407580 /nfs/dbraw/zinc/40/75/80/1091407580.db2.gz KNZDHSOCLHWABI-GXTWGEPZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001205912821 1091407995 /nfs/dbraw/zinc/40/79/95/1091407995.db2.gz CVGGYEGYEZANAP-RYUDHWBXSA-N 2 1 319.836 3.153 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915857 1091409076 /nfs/dbraw/zinc/40/90/76/1091409076.db2.gz RACJRABQBBUXLC-RDJZCZTQSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915857 1091409080 /nfs/dbraw/zinc/40/90/80/1091409080.db2.gz RACJRABQBBUXLC-RDJZCZTQSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915855 1091409169 /nfs/dbraw/zinc/40/91/69/1091409169.db2.gz RACJRABQBBUXLC-DOTOQJQBSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001205915855 1091409175 /nfs/dbraw/zinc/40/91/75/1091409175.db2.gz RACJRABQBBUXLC-DOTOQJQBSA-N 2 1 317.477 3.352 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205917304 1091411770 /nfs/dbraw/zinc/41/17/70/1091411770.db2.gz YHXRXOKOKAYLJR-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205917304 1091411776 /nfs/dbraw/zinc/41/17/76/1091411776.db2.gz YHXRXOKOKAYLJR-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001139055295 1091432597 /nfs/dbraw/zinc/43/25/97/1091432597.db2.gz MTCIGGSWUXYKIK-WOJBJXKFSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1C[N@@H+](CC2(c3ccccc3)CCOCC2)CCC[C@@H]1C[NH3+] ZINC001205984255 1091435723 /nfs/dbraw/zinc/43/57/23/1091435723.db2.gz RRENOMUUXWYMIF-QZTJIDSGSA-N 2 1 316.489 3.042 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1CC ZINC001206002751 1091443940 /nfs/dbraw/zinc/44/39/40/1091443940.db2.gz AIZGPHVIQWJWNY-QAPCUYQASA-N 2 1 304.478 3.455 20 0 DGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004462 1091445649 /nfs/dbraw/zinc/44/56/49/1091445649.db2.gz SMTXHCWMHVBUDF-WMLDXEAASA-N 2 1 313.445 3.457 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206021613 1091455746 /nfs/dbraw/zinc/45/57/46/1091455746.db2.gz ALJXZCIFMBGXJV-WCQYABFASA-N 2 1 316.367 3.234 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[C@H]1F ZINC001206173160 1091520845 /nfs/dbraw/zinc/52/08/45/1091520845.db2.gz FMTWWGSVABHIFQ-IAGOWNOFSA-N 2 1 317.383 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC[C@@H]1F ZINC001206175441 1091522063 /nfs/dbraw/zinc/52/20/63/1091522063.db2.gz VGLBSTYZEZYWTP-KBPBESRZSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)CC[C@@H]1F ZINC001206175651 1091522431 /nfs/dbraw/zinc/52/24/31/1091522431.db2.gz WRQICFZSTUACSF-GJZGRUSLSA-N 2 1 305.422 3.071 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@H]1F ZINC001206183227 1091524125 /nfs/dbraw/zinc/52/41/25/1091524125.db2.gz GEXPWWSGLRFSJW-HUUCEWRRSA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)CC[C@H]1F ZINC001206183227 1091524130 /nfs/dbraw/zinc/52/41/30/1091524130.db2.gz GEXPWWSGLRFSJW-HUUCEWRRSA-N 2 1 307.800 3.149 20 0 DGADMP CN(Cc1ccc(-n2ccnc2)cc1)Cc1cccc2c1OCO2 ZINC001139364513 1091535667 /nfs/dbraw/zinc/53/56/67/1091535667.db2.gz UPCAHOJSUQHKCY-UHFFFAOYSA-N 2 1 321.380 3.233 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001206269177 1091558330 /nfs/dbraw/zinc/55/83/30/1091558330.db2.gz FOGSNONDDWSXAO-KRWDZBQOSA-N 2 1 310.441 3.449 20 0 DGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001206269177 1091558344 /nfs/dbraw/zinc/55/83/44/1091558344.db2.gz FOGSNONDDWSXAO-KRWDZBQOSA-N 2 1 310.441 3.449 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206276494 1091560171 /nfs/dbraw/zinc/56/01/71/1091560171.db2.gz FEUAAIBBPWRBPU-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206276494 1091560179 /nfs/dbraw/zinc/56/01/79/1091560179.db2.gz FEUAAIBBPWRBPU-INIZCTEOSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001206285847 1091564045 /nfs/dbraw/zinc/56/40/45/1091564045.db2.gz OOWATLBJQRPUIJ-AWEZNQCLSA-N 2 1 315.848 3.443 20 0 DGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001206285847 1091564050 /nfs/dbraw/zinc/56/40/50/1091564050.db2.gz OOWATLBJQRPUIJ-AWEZNQCLSA-N 2 1 315.848 3.443 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001206296358 1091565131 /nfs/dbraw/zinc/56/51/31/1091565131.db2.gz RUIVOTWMRHTDMA-FQEVSTJZSA-N 2 1 315.505 3.354 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC001206297001 1091566077 /nfs/dbraw/zinc/56/60/77/1091566077.db2.gz WENJICWKLOHSOA-HNNXBMFYSA-N 2 1 311.267 3.400 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2cc(F)c(F)cc2F)CC1 ZINC001206296361 1091566172 /nfs/dbraw/zinc/56/61/72/1091566172.db2.gz RUZZGOGEELYSLV-INIZCTEOSA-N 2 1 300.368 3.097 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001206303715 1091569775 /nfs/dbraw/zinc/56/97/75/1091569775.db2.gz GFAQGHDNVGETIX-MRXNPFEDSA-N 2 1 306.841 3.119 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001206305404 1091570712 /nfs/dbraw/zinc/57/07/12/1091570712.db2.gz YLCLZFPVVPQQEU-SFHVURJKSA-N 2 1 305.466 3.221 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OCC[NH+]2CCCC2)cc1 ZINC001206308680 1091571805 /nfs/dbraw/zinc/57/18/05/1091571805.db2.gz GDISQXIDRGTCEP-PMOLBWCYSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001206311118 1091574144 /nfs/dbraw/zinc/57/41/44/1091574144.db2.gz JDDGWAULWZHFDS-IBGZPJMESA-N 2 1 310.445 3.095 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206317906 1091577325 /nfs/dbraw/zinc/57/73/25/1091577325.db2.gz KMQVCRYOGWBPIB-INIZCTEOSA-N 2 1 314.832 3.439 20 0 DGADMP CCOc1nccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206337929 1091584941 /nfs/dbraw/zinc/58/49/41/1091584941.db2.gz WZGUTAVROWTHON-MRXNPFEDSA-N 2 1 311.857 3.085 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2(c3ccccc3)CCOCC2)C1 ZINC001206541948 1091662027 /nfs/dbraw/zinc/66/20/27/1091662027.db2.gz ODCUOSRPFZCKLB-IBGZPJMESA-N 2 1 316.489 3.186 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206550234 1091665541 /nfs/dbraw/zinc/66/55/41/1091665541.db2.gz XXHQSQIGSDMJKY-LJQANCHMSA-N 2 1 312.461 3.132 20 0 DGADMP COc1nc2ccccc2cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206547716 1091665650 /nfs/dbraw/zinc/66/56/50/1091665650.db2.gz FNKXJXKCQNXORS-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206547716 1091665654 /nfs/dbraw/zinc/66/56/54/1091665654.db2.gz FNKXJXKCQNXORS-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001206564871 1091671837 /nfs/dbraw/zinc/67/18/37/1091671837.db2.gz QUDBLJKRLKHAIV-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589961 1091681120 /nfs/dbraw/zinc/68/11/20/1091681120.db2.gz JMQJGRIJNVGPIP-HNNXBMFYSA-N 2 1 312.404 3.326 20 0 DGADMP COc1c(F)cc(F)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589961 1091681126 /nfs/dbraw/zinc/68/11/26/1091681126.db2.gz JMQJGRIJNVGPIP-HNNXBMFYSA-N 2 1 312.404 3.326 20 0 DGADMP COc1c(C)ccc(F)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606329 1091687904 /nfs/dbraw/zinc/68/79/04/1091687904.db2.gz LBLVJINPIQQBAR-HNNXBMFYSA-N 2 1 308.441 3.495 20 0 DGADMP COc1c(C)ccc(F)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606329 1091687911 /nfs/dbraw/zinc/68/79/11/1091687911.db2.gz LBLVJINPIQQBAR-HNNXBMFYSA-N 2 1 308.441 3.495 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001206616960 1091691458 /nfs/dbraw/zinc/69/14/58/1091691458.db2.gz VHLXEFLFPZPADA-QGZVFWFLSA-N 2 1 301.478 3.238 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(Cl)ncc3ccccc32)C1 ZINC001206623117 1091693226 /nfs/dbraw/zinc/69/32/26/1091693226.db2.gz JGSCKFRFFMSMHY-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3cnn(C)c3c2)CC1 ZINC001139909332 1091710398 /nfs/dbraw/zinc/71/03/98/1091710398.db2.gz RSJMJHFOVKPLFW-UHFFFAOYSA-N 2 1 314.477 3.126 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206718827 1091711067 /nfs/dbraw/zinc/71/10/67/1091711067.db2.gz YDLXPCZMEGEQCU-ZWKOTPCHSA-N 2 1 317.477 3.110 20 0 DGADMP c1cc(C[NH+]2CC3CCC(CC3)C2)ccc1C[NH+]1CCOCC1 ZINC001206728229 1091714104 /nfs/dbraw/zinc/71/41/04/1091714104.db2.gz UIQHFIOOTMIWNJ-UHFFFAOYSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@]1(F)CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@@H]1F ZINC001206744243 1091719467 /nfs/dbraw/zinc/71/94/67/1091719467.db2.gz HGNGVVKYCNKVJP-FUHWJXTLSA-N 2 1 319.399 3.017 20 0 DGADMP C[C@@]1(F)CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@@H]1F ZINC001206744243 1091719473 /nfs/dbraw/zinc/71/94/73/1091719473.db2.gz HGNGVVKYCNKVJP-FUHWJXTLSA-N 2 1 319.399 3.017 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc(OCC4CC4)c3)cn12 ZINC001206764347 1091730410 /nfs/dbraw/zinc/73/04/10/1091730410.db2.gz WFVHZNAZPBYOGY-UHFFFAOYSA-N 2 1 319.408 3.477 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1OCC ZINC001206768679 1091731781 /nfs/dbraw/zinc/73/17/81/1091731781.db2.gz LJVOTKXLMQEGMD-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1OCC1CC1 ZINC001206768165 1091732040 /nfs/dbraw/zinc/73/20/40/1091732040.db2.gz IDOBYSVDHGQCSH-PBHICJAKSA-N 2 1 318.461 3.043 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206772231 1091734163 /nfs/dbraw/zinc/73/41/63/1091734163.db2.gz ZKDXPYZHTSLMIO-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206772231 1091734168 /nfs/dbraw/zinc/73/41/68/1091734168.db2.gz ZKDXPYZHTSLMIO-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1C(F)(F)F ZINC001206769783 1091734247 /nfs/dbraw/zinc/73/42/47/1091734247.db2.gz QGHRFXDPXZAYDW-YPMHNXCESA-N 2 1 316.367 3.273 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC001140023823 1091742698 /nfs/dbraw/zinc/74/26/98/1091742698.db2.gz YWLMQGRSPNKMCY-UHFFFAOYSA-N 2 1 321.424 3.175 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](CCO)Cc1ccccc1 ZINC001140023823 1091742703 /nfs/dbraw/zinc/74/27/03/1091742703.db2.gz YWLMQGRSPNKMCY-UHFFFAOYSA-N 2 1 321.424 3.175 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC001140023823 1091742708 /nfs/dbraw/zinc/74/27/08/1091742708.db2.gz YWLMQGRSPNKMCY-UHFFFAOYSA-N 2 1 321.424 3.175 20 0 DGADMP COc1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001206799236 1091745813 /nfs/dbraw/zinc/74/58/13/1091745813.db2.gz CQRZQYNSUGDWMU-KSSFIOAISA-N 2 1 308.441 3.387 20 0 DGADMP COc1cc(F)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001206799236 1091745819 /nfs/dbraw/zinc/74/58/19/1091745819.db2.gz CQRZQYNSUGDWMU-KSSFIOAISA-N 2 1 308.441 3.387 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@@H](C)C[NH+](C)C)n2c1 ZINC001206801303 1091746112 /nfs/dbraw/zinc/74/61/12/1091746112.db2.gz VBNHCRSEFRJBMQ-WMZOPIPTSA-N 2 1 314.477 3.195 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@@H](C)C[NH+](C)C)n2c1 ZINC001206801303 1091746117 /nfs/dbraw/zinc/74/61/17/1091746117.db2.gz VBNHCRSEFRJBMQ-WMZOPIPTSA-N 2 1 314.477 3.195 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1OCC1CC1 ZINC001206806047 1091747625 /nfs/dbraw/zinc/74/76/25/1091747625.db2.gz DMQKCUZQVOKVDB-HOCLYGCPSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1OCC1CC1 ZINC001206806047 1091747626 /nfs/dbraw/zinc/74/76/26/1091747626.db2.gz DMQKCUZQVOKVDB-HOCLYGCPSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1OCC1CC1 ZINC001206806046 1091748246 /nfs/dbraw/zinc/74/82/46/1091748246.db2.gz DMQKCUZQVOKVDB-GOEBONIOSA-N 2 1 318.461 3.043 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1OCC1CC1 ZINC001206806046 1091748255 /nfs/dbraw/zinc/74/82/55/1091748255.db2.gz DMQKCUZQVOKVDB-GOEBONIOSA-N 2 1 318.461 3.043 20 0 DGADMP CCCCOc1ncc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1C ZINC001206812282 1091751810 /nfs/dbraw/zinc/75/18/10/1091751810.db2.gz YYTOQUZMVXXAIC-HZPDHXFCSA-N 2 1 305.466 3.128 20 0 DGADMP CCCCOc1ncc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1C ZINC001206812282 1091751817 /nfs/dbraw/zinc/75/18/17/1091751817.db2.gz YYTOQUZMVXXAIC-HZPDHXFCSA-N 2 1 305.466 3.128 20 0 DGADMP C[N@H+](Cc1cc(-c2ccc(F)cc2)on1)CC1CC[NH+](C)CC1 ZINC001206833121 1091758999 /nfs/dbraw/zinc/75/89/99/1091758999.db2.gz GGGAZYONAMHOCM-UHFFFAOYSA-N 2 1 317.408 3.254 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140173560 1091790913 /nfs/dbraw/zinc/79/09/13/1091790913.db2.gz AFEKHQMRXWCYLP-WOJBJXKFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140173560 1091790916 /nfs/dbraw/zinc/79/09/16/1091790916.db2.gz AFEKHQMRXWCYLP-WOJBJXKFSA-N 2 1 307.441 3.132 20 0 DGADMP CCCCCC[NH+]1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207053523 1091831282 /nfs/dbraw/zinc/83/12/82/1091831282.db2.gz USUWGPXGDVACQF-UHFFFAOYSA-N 2 1 300.450 3.032 20 0 DGADMP Cc1ccc(Cl)nc1C[N@@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001140447982 1091868700 /nfs/dbraw/zinc/86/87/00/1091868700.db2.gz CNBRFPBWNHKUJP-CQSZACIVSA-N 2 1 317.820 3.400 20 0 DGADMP Cc1ccc(Cl)nc1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001140447982 1091868705 /nfs/dbraw/zinc/86/87/05/1091868705.db2.gz CNBRFPBWNHKUJP-CQSZACIVSA-N 2 1 317.820 3.400 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207199379 1091885330 /nfs/dbraw/zinc/88/53/30/1091885330.db2.gz VHCWYJVNRSSSEI-BURFUSLBSA-N 2 1 304.865 3.327 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278618 1091907438 /nfs/dbraw/zinc/90/74/38/1091907438.db2.gz HGCUCRQTDZOQPT-OKZBNKHCSA-N 2 1 306.494 3.021 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278618 1091907449 /nfs/dbraw/zinc/90/74/49/1091907449.db2.gz HGCUCRQTDZOQPT-OKZBNKHCSA-N 2 1 306.494 3.021 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278618 1091907457 /nfs/dbraw/zinc/90/74/57/1091907457.db2.gz HGCUCRQTDZOQPT-OKZBNKHCSA-N 2 1 306.494 3.021 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207278618 1091907462 /nfs/dbraw/zinc/90/74/62/1091907462.db2.gz HGCUCRQTDZOQPT-OKZBNKHCSA-N 2 1 306.494 3.021 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284916 1091909830 /nfs/dbraw/zinc/90/98/30/1091909830.db2.gz ULPNMZBYTPHNJQ-KRWDZBQOSA-N 2 1 318.461 3.198 20 0 DGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284916 1091909833 /nfs/dbraw/zinc/90/98/33/1091909833.db2.gz ULPNMZBYTPHNJQ-KRWDZBQOSA-N 2 1 318.461 3.198 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001207282836 1091911344 /nfs/dbraw/zinc/91/13/44/1091911344.db2.gz WBCUDVZCTIKUMJ-FGTMMUONSA-N 2 1 308.510 3.101 20 0 DGADMP C[C@]1(O)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286674 1091911901 /nfs/dbraw/zinc/91/19/01/1091911901.db2.gz KBSSXNOYMDTIKQ-FQEVSTJZSA-N 2 1 316.489 3.136 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286325 1091912907 /nfs/dbraw/zinc/91/29/07/1091912907.db2.gz GEEGOVNDBYNAPF-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287194 1091912936 /nfs/dbraw/zinc/91/29/36/1091912936.db2.gz ZDLAVRUNSKZGEW-INIZCTEOSA-N 2 1 320.477 3.126 20 0 DGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287194 1091912938 /nfs/dbraw/zinc/91/29/38/1091912938.db2.gz ZDLAVRUNSKZGEW-INIZCTEOSA-N 2 1 320.477 3.126 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(O)c(C)c2)CC1 ZINC001140577306 1091916032 /nfs/dbraw/zinc/91/60/32/1091916032.db2.gz MKHABWGHSGQJCB-UHFFFAOYSA-N 2 1 311.429 3.143 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)CCCc1ccc(Br)cc1 ZINC001207318394 1091923180 /nfs/dbraw/zinc/92/31/80/1091923180.db2.gz RLGTZCBAIHICGD-UHFFFAOYSA-N 2 1 313.283 3.265 20 0 DGADMP C[C@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001207335048 1091928521 /nfs/dbraw/zinc/92/85/21/1091928521.db2.gz WOZCPVWYCQPVJJ-IRXDYDNUSA-N 2 1 323.440 3.158 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCc3ccc(Br)cc3C2)CC1 ZINC001207398270 1091953199 /nfs/dbraw/zinc/95/31/99/1091953199.db2.gz DPKPWWXBECSUAS-UHFFFAOYSA-N 2 1 323.278 3.149 20 0 DGADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207401023 1091955501 /nfs/dbraw/zinc/95/55/01/1091955501.db2.gz JSJRVLDDDSGTCF-GOSISDBHSA-N 2 1 302.462 3.312 20 0 DGADMP CC(C)CCC[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001276530152 1091970880 /nfs/dbraw/zinc/97/08/80/1091970880.db2.gz MRKHHGSKMOVHOP-LJQANCHMSA-N 2 1 318.509 3.107 20 0 DGADMP COc1ccccc1CC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001207456957 1091974828 /nfs/dbraw/zinc/97/48/28/1091974828.db2.gz ZJSGKJUNUHBXFQ-UHFFFAOYSA-N 2 1 304.478 3.290 20 0 DGADMP C[NH+]1CCC(CC[N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001207487876 1091984131 /nfs/dbraw/zinc/98/41/31/1091984131.db2.gz WQWOMNSFXNAQFF-UHFFFAOYSA-N 2 1 322.456 3.191 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001207487876 1091984135 /nfs/dbraw/zinc/98/41/35/1091984135.db2.gz WQWOMNSFXNAQFF-UHFFFAOYSA-N 2 1 322.456 3.191 20 0 DGADMP CC(C)[N@@H+](CCC1CC[NH+](C)CC1)CC(=O)c1ccccc1 ZINC001207486426 1091985300 /nfs/dbraw/zinc/98/53/00/1091985300.db2.gz IIRJGTWERUSDIN-UHFFFAOYSA-N 2 1 302.462 3.312 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](CCC3CC[NH+](C)CC3)C2)c1 ZINC001207488917 1091986456 /nfs/dbraw/zinc/98/64/56/1091986456.db2.gz STWUUEASLARGNA-SFHVURJKSA-N 2 1 302.462 3.216 20 0 DGADMP Fc1ccccc1CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207501952 1091993605 /nfs/dbraw/zinc/99/36/05/1091993605.db2.gz ARBNBUVRVUMAGZ-PMACEKPBSA-N 2 1 324.443 3.432 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2ccncc12 ZINC001140805007 1092010312 /nfs/dbraw/zinc/01/03/12/1092010312.db2.gz OEFFFXDLMBTNJT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ccncc12 ZINC001140805007 1092010323 /nfs/dbraw/zinc/01/03/23/1092010323.db2.gz OEFFFXDLMBTNJT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccncc12 ZINC001140805007 1092010331 /nfs/dbraw/zinc/01/03/31/1092010331.db2.gz OEFFFXDLMBTNJT-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140806155 1092010810 /nfs/dbraw/zinc/01/08/10/1092010810.db2.gz BTMYERDHRCRDGU-IAGOWNOFSA-N 2 1 318.424 3.131 20 0 DGADMP CC[NH+](CC)C1CC[NH+](CCCc2ccc(OC)cc2)CC1 ZINC001207580132 1092027446 /nfs/dbraw/zinc/02/74/46/1092027446.db2.gz OCMREOJFNPMSRU-UHFFFAOYSA-N 2 1 304.478 3.434 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cnco3)C[C@@H]21 ZINC001140929656 1092066354 /nfs/dbraw/zinc/06/63/54/1092066354.db2.gz AQLQZZJVRMUHFB-FHWLQOOXSA-N 2 1 311.429 3.285 20 0 DGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnco2)CC3)c1 ZINC001140927963 1092066865 /nfs/dbraw/zinc/06/68/65/1092066865.db2.gz HYDKNJXQFXENPX-UHFFFAOYSA-N 2 1 317.458 3.224 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)s3)C[C@H]2C1 ZINC001141005971 1092105077 /nfs/dbraw/zinc/10/50/77/1092105077.db2.gz YPTCEFHYWONWSD-HUUCEWRRSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545561 1092106688 /nfs/dbraw/zinc/10/66/88/1092106688.db2.gz WWKOINSYLRBHKV-LJQANCHMSA-N 2 1 317.477 3.188 20 0 DGADMP C[C@@H](C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1)c1ccccc1 ZINC001207910788 1092137870 /nfs/dbraw/zinc/13/78/70/1092137870.db2.gz YHXDLWGJJUPPJJ-KRWDZBQOSA-N 2 1 316.489 3.365 20 0 DGADMP c1nc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131910 1092146818 /nfs/dbraw/zinc/14/68/18/1092146818.db2.gz OLGZABFLJRTRGT-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131910 1092146822 /nfs/dbraw/zinc/14/68/22/1092146822.db2.gz OLGZABFLJRTRGT-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131910 1092146826 /nfs/dbraw/zinc/14/68/26/1092146826.db2.gz OLGZABFLJRTRGT-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001141131910 1092146833 /nfs/dbraw/zinc/14/68/33/1092146833.db2.gz OLGZABFLJRTRGT-QZTJIDSGSA-N 2 1 311.429 3.019 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001208107587 1092198934 /nfs/dbraw/zinc/19/89/34/1092198934.db2.gz WLPMZJKZELPZAA-SFHVURJKSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001208113723 1092203689 /nfs/dbraw/zinc/20/36/89/1092203689.db2.gz MDBZPEKYYRWXRY-KRWDZBQOSA-N 2 1 319.518 3.370 20 0 DGADMP CS[C@@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208149031 1092223131 /nfs/dbraw/zinc/22/31/31/1092223131.db2.gz XUCZJAVRRKXMGT-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208149031 1092223140 /nfs/dbraw/zinc/22/31/40/1092223140.db2.gz XUCZJAVRRKXMGT-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208149031 1092223152 /nfs/dbraw/zinc/22/31/52/1092223152.db2.gz XUCZJAVRRKXMGT-RYQLBKOJSA-N 2 1 304.503 3.192 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000121851539 1092229899 /nfs/dbraw/zinc/22/98/99/1092229899.db2.gz SZOWRBJMFXVFRR-GJZGRUSLSA-N 2 1 307.457 3.274 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000121851539 1092229913 /nfs/dbraw/zinc/22/99/13/1092229913.db2.gz SZOWRBJMFXVFRR-GJZGRUSLSA-N 2 1 307.457 3.274 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000121851365 1092230201 /nfs/dbraw/zinc/23/02/01/1092230201.db2.gz SZOWRBJMFXVFRR-LSDHHAIUSA-N 2 1 307.457 3.274 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000121851365 1092230213 /nfs/dbraw/zinc/23/02/13/1092230213.db2.gz SZOWRBJMFXVFRR-LSDHHAIUSA-N 2 1 307.457 3.274 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CCCC1 ZINC001208188276 1092252136 /nfs/dbraw/zinc/25/21/36/1092252136.db2.gz VLDKCNKOOWRAGD-GOSISDBHSA-N 2 1 314.473 3.313 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CCCC1 ZINC001208188276 1092252149 /nfs/dbraw/zinc/25/21/49/1092252149.db2.gz VLDKCNKOOWRAGD-GOSISDBHSA-N 2 1 314.473 3.313 20 0 DGADMP CSc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC001142018762 1092390589 /nfs/dbraw/zinc/39/05/89/1092390589.db2.gz STEOMSKTXKCHAD-UHFFFAOYSA-N 2 1 305.472 3.187 20 0 DGADMP CC(C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208582976 1092407354 /nfs/dbraw/zinc/40/73/54/1092407354.db2.gz SDZALJPGRQBXKA-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP CC[N@H+]1CCCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208582546 1092409406 /nfs/dbraw/zinc/40/94/06/1092409406.db2.gz KOMPBEONHMSDNV-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208582546 1092409416 /nfs/dbraw/zinc/40/94/16/1092409416.db2.gz KOMPBEONHMSDNV-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208582546 1092409421 /nfs/dbraw/zinc/40/94/21/1092409421.db2.gz KOMPBEONHMSDNV-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCC(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC001208597541 1092419064 /nfs/dbraw/zinc/41/90/64/1092419064.db2.gz IZZVYHQBGOTSNJ-SFHVURJKSA-N 2 1 315.505 3.097 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC001208597718 1092419212 /nfs/dbraw/zinc/41/92/12/1092419212.db2.gz LMJKWEWYPLTNDL-HXUWFJFHSA-N 2 1 316.489 3.274 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](CC(=O)c2ccccc2)C(C)C)CC1 ZINC001208599818 1092419789 /nfs/dbraw/zinc/41/97/89/1092419789.db2.gz CFGJCKIOHFROQD-UHFFFAOYSA-N 2 1 302.462 3.312 20 0 DGADMP Cc1ccc(OC2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208609029 1092424647 /nfs/dbraw/zinc/42/46/47/1092424647.db2.gz SWQGKYOUAZLSEA-QGZVFWFLSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Cc3ccccc3F)CC2)C1 ZINC001208613096 1092427397 /nfs/dbraw/zinc/42/73/97/1092427397.db2.gz OYIAJCUQXOLSBA-KRWDZBQOSA-N 2 1 304.453 3.422 20 0 DGADMP C[C@@H]1OC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208615247 1092429013 /nfs/dbraw/zinc/42/90/13/1092429013.db2.gz TXWYWEVIICHYSK-DLBZAZTESA-N 2 1 314.473 3.411 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208609722 1092429449 /nfs/dbraw/zinc/42/94/49/1092429449.db2.gz WRVSYAAFMRUVIQ-PKOBYXMFSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609722 1092429452 /nfs/dbraw/zinc/42/94/52/1092429452.db2.gz WRVSYAAFMRUVIQ-PKOBYXMFSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609722 1092429456 /nfs/dbraw/zinc/42/94/56/1092429456.db2.gz WRVSYAAFMRUVIQ-PKOBYXMFSA-N 2 1 302.462 3.180 20 0 DGADMP COc1cccc(CC2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208616625 1092431925 /nfs/dbraw/zinc/43/19/25/1092431925.db2.gz LXLMGZQWMKRVDE-LJQANCHMSA-N 2 1 316.489 3.292 20 0 DGADMP CC(C)CCC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001208732980 1092477737 /nfs/dbraw/zinc/47/77/37/1092477737.db2.gz OMVGFSYHUSQHCV-UHFFFAOYSA-N 2 1 318.509 3.287 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001169092726 1092521517 /nfs/dbraw/zinc/52/15/17/1092521517.db2.gz CMOAKWMYONCZTN-JRUDZRALSA-N 2 1 301.478 3.395 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCOc1cccc(Cl)c1)C2 ZINC001169093260 1092524839 /nfs/dbraw/zinc/52/48/39/1092524839.db2.gz GOVLGVZEGSCTJH-PHZGNYQRSA-N 2 1 308.853 3.324 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC001169099795 1092529062 /nfs/dbraw/zinc/52/90/62/1092529062.db2.gz VWVZWBUZTIQGNG-OSYLJGHBSA-N 2 1 300.446 3.115 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001169102330 1092532121 /nfs/dbraw/zinc/53/21/21/1092532121.db2.gz ZTWGHPIXADMSMX-UJWQCDCRSA-N 2 1 300.446 3.122 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCSCc1ccc(F)cc1)C2 ZINC001169090183 1092537633 /nfs/dbraw/zinc/53/76/33/1092537633.db2.gz IJLJIGOTHAWUMT-BJWYYQGGSA-N 2 1 308.466 3.274 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140211 1092540037 /nfs/dbraw/zinc/54/00/37/1092540037.db2.gz JAESLTXEYCWDEI-LHHMISFZSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140211 1092540043 /nfs/dbraw/zinc/54/00/43/1092540043.db2.gz JAESLTXEYCWDEI-LHHMISFZSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140211 1092540052 /nfs/dbraw/zinc/54/00/52/1092540052.db2.gz JAESLTXEYCWDEI-LHHMISFZSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001208841357 1092540422 /nfs/dbraw/zinc/54/04/22/1092540422.db2.gz XYSSOLGTFHLWMM-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001208841357 1092540436 /nfs/dbraw/zinc/54/04/36/1092540436.db2.gz XYSSOLGTFHLWMM-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118092 1092541953 /nfs/dbraw/zinc/54/19/53/1092541953.db2.gz DKSGCGPMXZCSND-PNBKFKSVSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001169118092 1092541959 /nfs/dbraw/zinc/54/19/59/1092541959.db2.gz DKSGCGPMXZCSND-PNBKFKSVSA-N 2 1 305.853 3.401 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(F)c3)CC1)C2 ZINC001169119404 1092542995 /nfs/dbraw/zinc/54/29/95/1092542995.db2.gz SNQPFENNQDYKQH-NNZMDNLPSA-N 2 1 302.437 3.363 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001169125866 1092544440 /nfs/dbraw/zinc/54/44/40/1092544440.db2.gz MRYBEWMVQCNODG-PIIMJCKOSA-N 2 1 319.880 3.087 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001169125866 1092544444 /nfs/dbraw/zinc/54/44/44/1092544444.db2.gz MRYBEWMVQCNODG-PIIMJCKOSA-N 2 1 319.880 3.087 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001169123050 1092545727 /nfs/dbraw/zinc/54/57/27/1092545727.db2.gz IGZHBKMCHQWGBL-FRYIKTPZSA-N 2 1 317.521 3.022 20 0 DGADMP Cc1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169124426 1092545786 /nfs/dbraw/zinc/54/57/86/1092545786.db2.gz CGZUVLZAJVJLQD-BCDXTJNWSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1cc2c[nH+]c(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)nc2[nH]1 ZINC001169139386 1092551239 /nfs/dbraw/zinc/55/12/39/1092551239.db2.gz ZRVQEIMLKLYPTR-DYVFJYSZSA-N 2 1 301.438 3.174 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(Cl)cc3C1)C2 ZINC001169108197 1092554360 /nfs/dbraw/zinc/55/43/60/1092554360.db2.gz PGDJEXPSEQAMIP-TVFCKZIOSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)C2 ZINC001169108346 1092554542 /nfs/dbraw/zinc/55/45/42/1092554542.db2.gz RPRIGZBOUPRJLB-QKDCVEJESA-N 2 1 312.379 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@H]1c1ccccc1)C2 ZINC001169141256 1092555379 /nfs/dbraw/zinc/55/53/79/1092555379.db2.gz PFOZCWNRCFCOAS-MLHJIOFPSA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCSC[C@H]1c1ccccc1)C2 ZINC001169141256 1092555390 /nfs/dbraw/zinc/55/53/90/1092555390.db2.gz PFOZCWNRCFCOAS-MLHJIOFPSA-N 2 1 302.487 3.402 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCSC[C@H]1c1ccccc1)C2 ZINC001169141256 1092555401 /nfs/dbraw/zinc/55/54/01/1092555401.db2.gz PFOZCWNRCFCOAS-MLHJIOFPSA-N 2 1 302.487 3.402 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccccc3)C1)C2 ZINC001169140774 1092555577 /nfs/dbraw/zinc/55/55/77/1092555577.db2.gz LYOIACGKWXNYBO-FAJBIJEISA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3ccccc3)C1)C2 ZINC001169140774 1092555588 /nfs/dbraw/zinc/55/55/88/1092555588.db2.gz LYOIACGKWXNYBO-FAJBIJEISA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3ccccc3)C1)C2 ZINC001169140774 1092555593 /nfs/dbraw/zinc/55/55/93/1092555593.db2.gz LYOIACGKWXNYBO-FAJBIJEISA-N 2 1 300.446 3.155 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142385 1092559729 /nfs/dbraw/zinc/55/97/29/1092559729.db2.gz UCJQPGPUPHRBNN-FAJBIJEISA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142385 1092559734 /nfs/dbraw/zinc/55/97/34/1092559734.db2.gz UCJQPGPUPHRBNN-FAJBIJEISA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142385 1092559740 /nfs/dbraw/zinc/55/97/40/1092559740.db2.gz UCJQPGPUPHRBNN-FAJBIJEISA-N 2 1 300.446 3.457 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Sc3ccncc3)CC1)C2 ZINC001169143634 1092560118 /nfs/dbraw/zinc/56/01/18/1092560118.db2.gz GZGUJEFQHXFUJD-ZSHCYNCHSA-N 2 1 317.502 3.263 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142343 1092560228 /nfs/dbraw/zinc/56/02/28/1092560228.db2.gz TUSFDPUZQQAWFE-VSZNYVQBSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142343 1092560238 /nfs/dbraw/zinc/56/02/38/1092560238.db2.gz TUSFDPUZQQAWFE-VSZNYVQBSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142343 1092560249 /nfs/dbraw/zinc/56/02/49/1092560249.db2.gz TUSFDPUZQQAWFE-VSZNYVQBSA-N 2 1 300.446 3.073 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC001169144086 1092560753 /nfs/dbraw/zinc/56/07/53/1092560753.db2.gz IGPDIUUVKDQDCU-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC001169144086 1092560768 /nfs/dbraw/zinc/56/07/68/1092560768.db2.gz IGPDIUUVKDQDCU-REPLKXPHSA-N 2 1 313.489 3.051 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccnc3c(F)cccc13)C2 ZINC001276596833 1092565140 /nfs/dbraw/zinc/56/51/40/1092565140.db2.gz DCEANYGCASOHFY-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596833 1092565146 /nfs/dbraw/zinc/56/51/46/1092565146.db2.gz DCEANYGCASOHFY-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596833 1092565155 /nfs/dbraw/zinc/56/51/55/1092565155.db2.gz DCEANYGCASOHFY-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596833 1092565159 /nfs/dbraw/zinc/56/51/59/1092565159.db2.gz DCEANYGCASOHFY-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001276596833 1092565165 /nfs/dbraw/zinc/56/51/65/1092565165.db2.gz DCEANYGCASOHFY-LJQANCHMSA-N 2 1 313.420 3.292 20 0 DGADMP C[C@H](C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(F)(F)F ZINC001208904980 1092578890 /nfs/dbraw/zinc/57/88/90/1092578890.db2.gz KVBYCBUTDWELAS-FVQBIDKESA-N 2 1 312.379 3.249 20 0 DGADMP CCN1CCC([N@@H+](C)CC2CCN(c3ccccc3)CC2)CC1 ZINC001208914254 1092582140 /nfs/dbraw/zinc/58/21/40/1092582140.db2.gz LMVBWQMOVOOJAW-UHFFFAOYSA-N 2 1 315.505 3.319 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CC2CCN(c3ccccc3)CC2)CC1 ZINC001208914254 1092582150 /nfs/dbraw/zinc/58/21/50/1092582150.db2.gz LMVBWQMOVOOJAW-UHFFFAOYSA-N 2 1 315.505 3.319 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CC2CCN(c3ccccc3)CC2)CC1 ZINC001208914254 1092582162 /nfs/dbraw/zinc/58/21/62/1092582162.db2.gz LMVBWQMOVOOJAW-UHFFFAOYSA-N 2 1 315.505 3.319 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)C[C@H]2CC1 ZINC001276598292 1092582773 /nfs/dbraw/zinc/58/27/73/1092582773.db2.gz XJSFQLGXANWLIL-CALCHBBNSA-N 2 1 301.478 3.153 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccnc(C(C)(C)C)c3)C[C@H]2CC1 ZINC001276598292 1092582778 /nfs/dbraw/zinc/58/27/78/1092582778.db2.gz XJSFQLGXANWLIL-CALCHBBNSA-N 2 1 301.478 3.153 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccnc(C(C)(C)C)c3)C[C@H]2CC1 ZINC001276598292 1092582784 /nfs/dbraw/zinc/58/27/84/1092582784.db2.gz XJSFQLGXANWLIL-CALCHBBNSA-N 2 1 301.478 3.153 20 0 DGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc[nH+]c(C)c1F ZINC001169179843 1092587648 /nfs/dbraw/zinc/58/76/48/1092587648.db2.gz QJKNNAWYDKIACK-UHFFFAOYSA-N 2 1 313.376 3.291 20 0 DGADMP COCC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931404 1092591397 /nfs/dbraw/zinc/59/13/97/1092591397.db2.gz JIZJOVUVDPWTTA-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939953 1092600933 /nfs/dbraw/zinc/60/09/33/1092600933.db2.gz MHIHAXWIHSKVSR-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939953 1092600937 /nfs/dbraw/zinc/60/09/37/1092600937.db2.gz MHIHAXWIHSKVSR-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939953 1092600944 /nfs/dbraw/zinc/60/09/44/1092600944.db2.gz MHIHAXWIHSKVSR-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC[C@@]34CCOC4)C2)cc1 ZINC001208939953 1092600949 /nfs/dbraw/zinc/60/09/49/1092600949.db2.gz MHIHAXWIHSKVSR-UXHICEINSA-N 2 1 314.473 3.154 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938101 1092601165 /nfs/dbraw/zinc/60/11/65/1092601165.db2.gz WVGGDGPCILVEIN-YDZRNGNQSA-N 2 1 302.437 3.331 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938101 1092601166 /nfs/dbraw/zinc/60/11/66/1092601166.db2.gz WVGGDGPCILVEIN-YDZRNGNQSA-N 2 1 302.437 3.331 20 0 DGADMP F[C@@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938101 1092601168 /nfs/dbraw/zinc/60/11/68/1092601168.db2.gz WVGGDGPCILVEIN-YDZRNGNQSA-N 2 1 302.437 3.331 20 0 DGADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938137 1092601269 /nfs/dbraw/zinc/60/12/69/1092601269.db2.gz WYUPJRBNPALFMF-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938137 1092601271 /nfs/dbraw/zinc/60/12/71/1092601271.db2.gz WYUPJRBNPALFMF-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938137 1092601273 /nfs/dbraw/zinc/60/12/73/1092601273.db2.gz WYUPJRBNPALFMF-VQTJNVASSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+](CCc1cccnc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940526 1092602017 /nfs/dbraw/zinc/60/20/17/1092602017.db2.gz TTZNLJZGOKTKDF-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940526 1092602021 /nfs/dbraw/zinc/60/20/21/1092602021.db2.gz TTZNLJZGOKTKDF-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1cccnc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940526 1092602030 /nfs/dbraw/zinc/60/20/30/1092602030.db2.gz TTZNLJZGOKTKDF-OAQYLSRUSA-N 2 1 323.484 3.468 20 0 DGADMP CC(C)O[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940635 1092603359 /nfs/dbraw/zinc/60/33/59/1092603359.db2.gz TZPGJEQHYQTTDJ-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940635 1092603365 /nfs/dbraw/zinc/60/33/65/1092603365.db2.gz TZPGJEQHYQTTDJ-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)O[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940635 1092603372 /nfs/dbraw/zinc/60/33/72/1092603372.db2.gz TZPGJEQHYQTTDJ-VQTJNVASSA-N 2 1 316.489 3.398 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001169262325 1092605434 /nfs/dbraw/zinc/60/54/34/1092605434.db2.gz XOFKAHPIJJHRAR-SFHVURJKSA-N 2 1 316.489 3.434 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001169262325 1092605437 /nfs/dbraw/zinc/60/54/37/1092605437.db2.gz XOFKAHPIJJHRAR-SFHVURJKSA-N 2 1 316.489 3.434 20 0 DGADMP COC(C)(C)[C@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949617 1092608314 /nfs/dbraw/zinc/60/83/14/1092608314.db2.gz MIHBZHHWDNSLGG-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949617 1092608316 /nfs/dbraw/zinc/60/83/16/1092608316.db2.gz MIHBZHHWDNSLGG-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP COC(C)(C)[C@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949617 1092608319 /nfs/dbraw/zinc/60/83/19/1092608319.db2.gz MIHBZHHWDNSLGG-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP FC(F)[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948776 1092609978 /nfs/dbraw/zinc/60/99/78/1092609978.db2.gz IHDNSWSEMOTKLS-SJORKVTESA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948776 1092609981 /nfs/dbraw/zinc/60/99/81/1092609981.db2.gz IHDNSWSEMOTKLS-SJORKVTESA-N 2 1 308.416 3.486 20 0 DGADMP FC(F)[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948776 1092609986 /nfs/dbraw/zinc/60/99/86/1092609986.db2.gz IHDNSWSEMOTKLS-SJORKVTESA-N 2 1 308.416 3.486 20 0 DGADMP Cc1cc(N2CC[NH+](CCc3cc(F)cc(F)c3)CC2)cc[nH+]1 ZINC001209132108 1092665761 /nfs/dbraw/zinc/66/57/61/1092665761.db2.gz HWQZULBQFVGYBY-UHFFFAOYSA-N 2 1 317.383 3.033 20 0 DGADMP Cc1c[nH+]ccc1N1CC[NH+](CCc2cc(F)cc(F)c2)CC1 ZINC001209132800 1092666982 /nfs/dbraw/zinc/66/69/82/1092666982.db2.gz ZKGHFXWUZLVWQS-UHFFFAOYSA-N 2 1 317.383 3.033 20 0 DGADMP CCn1ccnc1C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001276620339 1092674577 /nfs/dbraw/zinc/67/45/77/1092674577.db2.gz GBUDCCSXXXVPJY-UHFFFAOYSA-N 2 1 316.493 3.134 20 0 DGADMP CCn1ccnc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276620339 1092674584 /nfs/dbraw/zinc/67/45/84/1092674584.db2.gz GBUDCCSXXXVPJY-UHFFFAOYSA-N 2 1 316.493 3.134 20 0 DGADMP COCCCC[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001209219411 1092697935 /nfs/dbraw/zinc/69/79/35/1092697935.db2.gz ISISHJOWOLKFDA-UHFFFAOYSA-N 2 1 308.441 3.149 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1Cl ZINC001276626298 1092709843 /nfs/dbraw/zinc/70/98/43/1092709843.db2.gz PVQGUODGOVDPGR-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209282657 1092723468 /nfs/dbraw/zinc/72/34/68/1092723468.db2.gz DUXNKWPNUDWCNO-UHFFFAOYSA-N 2 1 309.335 3.003 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209282657 1092723475 /nfs/dbraw/zinc/72/34/75/1092723475.db2.gz DUXNKWPNUDWCNO-UHFFFAOYSA-N 2 1 309.335 3.003 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206632501 1092745849 /nfs/dbraw/zinc/74/58/49/1092745849.db2.gz LTFCGTZMKVSSOX-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206632501 1092745858 /nfs/dbraw/zinc/74/58/58/1092745858.db2.gz LTFCGTZMKVSSOX-ZDUSSCGKSA-N 2 1 311.267 3.318 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC001209450041 1092778780 /nfs/dbraw/zinc/77/87/80/1092778780.db2.gz FJSCJZLNDBZPJJ-OALUTQOASA-N 3 1 307.526 3.201 20 0 DGADMP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1C1CCCCC1 ZINC001209454714 1092780803 /nfs/dbraw/zinc/78/08/03/1092780803.db2.gz SFCXQWNVWIBPBO-SFHVURJKSA-N 2 1 307.526 3.201 20 0 DGADMP Cc1nccn1-c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276664575 1092877715 /nfs/dbraw/zinc/87/77/15/1092877715.db2.gz YFWRILGQTLCGKT-HXUWFJFHSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001276664575 1092877725 /nfs/dbraw/zinc/87/77/25/1092877725.db2.gz YFWRILGQTLCGKT-HXUWFJFHSA-N 3 1 324.472 3.098 20 0 DGADMP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001276664575 1092877735 /nfs/dbraw/zinc/87/77/35/1092877735.db2.gz YFWRILGQTLCGKT-HXUWFJFHSA-N 3 1 324.472 3.098 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206639975 1092880280 /nfs/dbraw/zinc/88/02/80/1092880280.db2.gz HRYCKHQIKXGJQE-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206639975 1092880286 /nfs/dbraw/zinc/88/02/86/1092880286.db2.gz HRYCKHQIKXGJQE-LBPRGKRZSA-N 2 1 316.367 3.275 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725607 1092893563 /nfs/dbraw/zinc/89/35/63/1092893563.db2.gz PUZNZVQJQVGGNB-QGZVFWFLSA-N 2 1 303.837 3.349 20 0 DGADMP Nc1cc[nH+]cc1C[N@H+](CCCCCCO)Cc1ccccc1 ZINC001209732941 1092894673 /nfs/dbraw/zinc/89/46/73/1092894673.db2.gz ODLSORKEJFVLJG-UHFFFAOYSA-N 2 1 313.445 3.049 20 0 DGADMP Nc1cc[nH+]cc1C[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001209732941 1092894682 /nfs/dbraw/zinc/89/46/82/1092894682.db2.gz ODLSORKEJFVLJG-UHFFFAOYSA-N 2 1 313.445 3.049 20 0 DGADMP CC(C)c1cccc(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210270109 1093104353 /nfs/dbraw/zinc/10/43/53/1093104353.db2.gz ASOWUEPQWGISBF-UHFFFAOYSA-N 2 1 314.408 3.497 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(CC1CC[NH+](C)CC1)C2 ZINC001276695844 1093408286 /nfs/dbraw/zinc/40/82/86/1093408286.db2.gz GVLISZIRQGYENV-GOSISDBHSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1cc(N)ccc1[N@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001214110094 1093714672 /nfs/dbraw/zinc/71/46/72/1093714672.db2.gz FFOHIPKMRZMJRR-UHFFFAOYSA-N 2 1 308.360 3.236 20 0 DGADMP CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001276708741 1093721195 /nfs/dbraw/zinc/72/11/95/1093721195.db2.gz ACCQTYIIBWXOCH-YSIASYRMSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@H]1C[C@@H](NCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303394492 1093808588 /nfs/dbraw/zinc/80/85/88/1093808588.db2.gz UHZHYASFHYFHOY-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP CCc1onc(C)c1CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812335 1094292004 /nfs/dbraw/zinc/29/20/04/1094292004.db2.gz QAFSPFGVYCRBHV-DZGCQCFKSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812335 1094292009 /nfs/dbraw/zinc/29/20/09/1094292009.db2.gz QAFSPFGVYCRBHV-DZGCQCFKSA-N 2 1 305.466 3.288 20 0 DGADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812335 1094292016 /nfs/dbraw/zinc/29/20/16/1094292016.db2.gz QAFSPFGVYCRBHV-DZGCQCFKSA-N 2 1 305.466 3.288 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC001119948957 1094318628 /nfs/dbraw/zinc/31/86/28/1094318628.db2.gz VMVIZOIVCWAUMR-VQSBYGRUSA-N 2 1 316.489 3.495 20 0 DGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170784814 1094368467 /nfs/dbraw/zinc/36/84/67/1094368467.db2.gz LJOPKHIMAFSYTH-SUQGKYDKSA-N 2 1 323.525 3.093 20 0 DGADMP Cc1csc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC001120366689 1094415178 /nfs/dbraw/zinc/41/51/78/1094415178.db2.gz VXXJLLJDOYJNAM-VHRNVKJDSA-N 2 1 305.491 3.132 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCCOCC2)CC1 ZINC001170798838 1094421892 /nfs/dbraw/zinc/42/18/92/1094421892.db2.gz CSQVLSPNTIGSCM-FHWLQOOXSA-N 2 1 320.452 3.467 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CCCOCC2)CC1 ZINC001170799459 1094425111 /nfs/dbraw/zinc/42/51/11/1094425111.db2.gz JFOQWALQMJSGCJ-BZSNNMDCSA-N 2 1 320.452 3.467 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCCOCC2)CC1 ZINC001170800587 1094434852 /nfs/dbraw/zinc/43/48/52/1094434852.db2.gz FQCAIOCCGGLVPQ-GUDVDZBRSA-N 2 1 320.452 3.467 20 0 DGADMP CC(C)(C)[C@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217697191 1094474293 /nfs/dbraw/zinc/47/42/93/1094474293.db2.gz YFJDGFLSHWGUTE-LSDHHAIUSA-N 2 1 314.433 3.105 20 0 DGADMP CC(C)(C)[C@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217697191 1094474297 /nfs/dbraw/zinc/47/42/97/1094474297.db2.gz YFJDGFLSHWGUTE-LSDHHAIUSA-N 2 1 314.433 3.105 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](OCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217761836 1094491713 /nfs/dbraw/zinc/49/17/13/1094491713.db2.gz AZGDOVRNZCTQFH-MJGOQNOKSA-N 2 1 302.462 3.057 20 0 DGADMP CC(C)[C@H]([NH3+])COC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001217827556 1094501525 /nfs/dbraw/zinc/50/15/25/1094501525.db2.gz MYAQKYZTYARTSH-HXUWFJFHSA-N 2 1 324.468 3.460 20 0 DGADMP [NH3+]CCCCCCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001217908592 1094515295 /nfs/dbraw/zinc/51/52/95/1094515295.db2.gz HKVBLNJBJKTBCW-KRWDZBQOSA-N 2 1 308.441 3.326 20 0 DGADMP Clc1ccccc1C[N@H+]1CC[C@@H](OCCC2CC[NH2+]CC2)C1 ZINC001217912093 1094515432 /nfs/dbraw/zinc/51/54/32/1094515432.db2.gz SDIFRDXMOSLHBI-QGZVFWFLSA-N 2 1 322.880 3.321 20 0 DGADMP Fc1ccccc1C[N@H+]1CCC[C@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217908513 1094515782 /nfs/dbraw/zinc/51/57/82/1094515782.db2.gz GXBLDMLLWXKZNZ-WMZOPIPTSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276765151 1094520333 /nfs/dbraw/zinc/52/03/33/1094520333.db2.gz RVZSOLGAKJNWLI-IEBWSBKVSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276765151 1094520339 /nfs/dbraw/zinc/52/03/39/1094520339.db2.gz RVZSOLGAKJNWLI-IEBWSBKVSA-N 2 1 310.526 3.372 20 0 DGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276765151 1094520346 /nfs/dbraw/zinc/52/03/46/1094520346.db2.gz RVZSOLGAKJNWLI-IEBWSBKVSA-N 2 1 310.526 3.372 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001276770360 1094604958 /nfs/dbraw/zinc/60/49/58/1094604958.db2.gz KPHOMEIZUCKTEH-UHFFFAOYSA-N 2 1 301.409 3.225 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CCC[NH2+]C1 ZINC001336286209 1094615676 /nfs/dbraw/zinc/61/56/76/1094615676.db2.gz OYMAWEVGDIPNCC-HNAYVOBHSA-N 2 1 312.461 3.132 20 0 DGADMP Cc1csc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276777461 1094667474 /nfs/dbraw/zinc/66/74/74/1094667474.db2.gz UMFHRKQQIKPCBQ-UHFFFAOYSA-N 2 1 315.486 3.483 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001336671701 1094692286 /nfs/dbraw/zinc/69/22/86/1094692286.db2.gz CBWJOJZTEYCHBT-INIZCTEOSA-N 2 1 312.461 3.084 20 0 DGADMP Cc1cc(F)ncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001336736684 1094716194 /nfs/dbraw/zinc/71/61/94/1094716194.db2.gz UBADWBDXAXXPGA-UHFFFAOYSA-N 2 1 305.441 3.416 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218334476 1094723116 /nfs/dbraw/zinc/72/31/16/1094723116.db2.gz AQQPTZGBAFJGSA-OXJNMPFZSA-N 2 1 310.441 3.435 20 0 DGADMP [NH3+]Cc1ccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001218440447 1094774702 /nfs/dbraw/zinc/77/47/02/1094774702.db2.gz DPQPYSNSSQLUBQ-SESVDKBCSA-N 2 1 322.452 3.435 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(CC)CC ZINC001135996990 1094786873 /nfs/dbraw/zinc/78/68/73/1094786873.db2.gz WRWUCEZUXACFDI-HZPDHXFCSA-N 2 1 313.530 3.027 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001337042056 1094829221 /nfs/dbraw/zinc/82/92/21/1094829221.db2.gz GOWVPTSDEXUXRG-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001337042056 1094829237 /nfs/dbraw/zinc/82/92/37/1094829237.db2.gz GOWVPTSDEXUXRG-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001337042056 1094829254 /nfs/dbraw/zinc/82/92/54/1094829254.db2.gz GOWVPTSDEXUXRG-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001337042056 1094829272 /nfs/dbraw/zinc/82/92/72/1094829272.db2.gz GOWVPTSDEXUXRG-GOSISDBHSA-N 2 1 315.505 3.451 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170897254 1094896120 /nfs/dbraw/zinc/89/61/20/1094896120.db2.gz NXOIWEOAZMOOJD-JONQDZQNSA-N 2 1 304.865 3.412 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818641 1095196743 /nfs/dbraw/zinc/19/67/43/1095196743.db2.gz GOLRFKXQGCUFCK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818641 1095196746 /nfs/dbraw/zinc/19/67/46/1095196746.db2.gz GOLRFKXQGCUFCK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818641 1095196752 /nfs/dbraw/zinc/19/67/52/1095196752.db2.gz GOLRFKXQGCUFCK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818641 1095196758 /nfs/dbraw/zinc/19/67/58/1095196758.db2.gz GOLRFKXQGCUFCK-GOSISDBHSA-N 2 1 302.393 3.490 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c4ccoc43)C[C@H]2CC1 ZINC001276818707 1095198802 /nfs/dbraw/zinc/19/88/02/1095198802.db2.gz IRZIFMPMCAZXHO-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c4ccoc43)C[C@H]2CC1 ZINC001276818707 1095198805 /nfs/dbraw/zinc/19/88/05/1095198805.db2.gz IRZIFMPMCAZXHO-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c4ccoc43)C[C@H]2CC1 ZINC001276818707 1095198815 /nfs/dbraw/zinc/19/88/15/1095198815.db2.gz IRZIFMPMCAZXHO-OKILXGFUSA-N 2 1 302.393 3.346 20 0 DGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171064942 1095241662 /nfs/dbraw/zinc/24/16/62/1095241662.db2.gz UVRNKWNBIUBVKG-BXUZGUMPSA-N 2 1 313.272 3.392 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC001136992297 1095273909 /nfs/dbraw/zinc/27/39/09/1095273909.db2.gz FMRRTYDMOXLYCN-UHFFFAOYSA-N 2 1 316.836 3.177 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C ZINC001171122075 1095447000 /nfs/dbraw/zinc/44/70/00/1095447000.db2.gz XAGAVAXMQAYPBN-ZWKOTPCHSA-N 2 1 323.525 3.092 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c[nH]c21 ZINC001222148032 1095457547 /nfs/dbraw/zinc/45/75/47/1095457547.db2.gz IGBMVVZFFJFHBW-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1cccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c[nH]c21 ZINC001222148032 1095457552 /nfs/dbraw/zinc/45/75/52/1095457552.db2.gz IGBMVVZFFJFHBW-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2n1 ZINC001222148759 1095458027 /nfs/dbraw/zinc/45/80/27/1095458027.db2.gz SOZKQOZCONZDKV-GOSISDBHSA-N 2 1 315.848 3.464 20 0 DGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153941 1095460828 /nfs/dbraw/zinc/46/08/28/1095460828.db2.gz DHGOFPQQRNBTON-FQEVSTJZSA-N 3 1 319.537 3.012 20 0 DGADMP C[NH+](C)CC1(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155168 1095462522 /nfs/dbraw/zinc/46/25/22/1095462522.db2.gz XAWSVMIZSJCHQD-LJQANCHMSA-N 3 1 321.553 3.354 20 0 DGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155168 1095462531 /nfs/dbraw/zinc/46/25/31/1095462531.db2.gz XAWSVMIZSJCHQD-LJQANCHMSA-N 3 1 321.553 3.354 20 0 DGADMP c1cncc(CCC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160711 1095466089 /nfs/dbraw/zinc/46/60/89/1095466089.db2.gz IDQMXZWDLIMCQF-LJQANCHMSA-N 2 1 301.478 3.260 20 0 DGADMP C[C@@H]1CC(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C[C@@H](C)O1 ZINC001222160742 1095466199 /nfs/dbraw/zinc/46/61/99/1095466199.db2.gz IKZYSDACOGXZHC-LMMKCTJWSA-N 2 1 308.510 3.436 20 0 DGADMP c1ccc(OCC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161449 1095466222 /nfs/dbraw/zinc/46/62/22/1095466222.db2.gz OPXQTAANTDSGIW-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCn1nc(C)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1C ZINC001222161401 1095466403 /nfs/dbraw/zinc/46/64/03/1095466403.db2.gz NPIWJUBCDFEJTR-LJQANCHMSA-N 2 1 318.509 3.266 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161406 1095466551 /nfs/dbraw/zinc/46/65/51/1095466551.db2.gz NUOQGHPYRMVWBQ-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222167796 1095474559 /nfs/dbraw/zinc/47/45/59/1095474559.db2.gz RLFNLZGNKPSNSQ-IBGZPJMESA-N 2 1 301.478 3.390 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222167796 1095474566 /nfs/dbraw/zinc/47/45/66/1095474566.db2.gz RLFNLZGNKPSNSQ-IBGZPJMESA-N 2 1 301.478 3.390 20 0 DGADMP CNc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222171847 1095476131 /nfs/dbraw/zinc/47/61/31/1095476131.db2.gz GFLCXVRCRMFAFA-LJQANCHMSA-N 2 1 301.478 3.474 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c1)OCC2 ZINC001222173818 1095478012 /nfs/dbraw/zinc/47/80/12/1095478012.db2.gz YBNIQVQCUYVPIA-HXUWFJFHSA-N 2 1 314.473 3.367 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1CCN2 ZINC001222172488 1095478121 /nfs/dbraw/zinc/47/81/21/1095478121.db2.gz LLPATUFAAZROQI-FQEVSTJZSA-N 2 1 313.489 3.400 20 0 DGADMP c1cc2c(c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c1)NCC2 ZINC001222172792 1095478647 /nfs/dbraw/zinc/47/86/47/1095478647.db2.gz OBGXJTNTFLBFIC-HXUWFJFHSA-N 2 1 313.489 3.400 20 0 DGADMP Fc1ccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001222265334 1095520165 /nfs/dbraw/zinc/52/01/65/1095520165.db2.gz RJTRXBQTPHJBPH-SFHVURJKSA-N 2 1 301.409 3.273 20 0 DGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222265465 1095520440 /nfs/dbraw/zinc/52/04/40/1095520440.db2.gz UBYMJPPLMMIJQD-LJQANCHMSA-N 2 1 313.445 3.142 20 0 DGADMP CCc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001144149997 1095536690 /nfs/dbraw/zinc/53/66/90/1095536690.db2.gz CKRSOYBURZFOAP-LJQANCHMSA-N 2 1 302.462 3.045 20 0 DGADMP CCc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(CC)c1O ZINC001144149997 1095536704 /nfs/dbraw/zinc/53/67/04/1095536704.db2.gz CKRSOYBURZFOAP-LJQANCHMSA-N 2 1 302.462 3.045 20 0 DGADMP CCc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(CC)c1O ZINC001144149997 1095536712 /nfs/dbraw/zinc/53/67/12/1095536712.db2.gz CKRSOYBURZFOAP-LJQANCHMSA-N 2 1 302.462 3.045 20 0 DGADMP CCc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(CC)c1O ZINC001144149997 1095536722 /nfs/dbraw/zinc/53/67/22/1095536722.db2.gz CKRSOYBURZFOAP-LJQANCHMSA-N 2 1 302.462 3.045 20 0 DGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)n1 ZINC001222315499 1095544944 /nfs/dbraw/zinc/54/49/44/1095544944.db2.gz NVKMYJFFXIPJOP-IBGZPJMESA-N 2 1 317.477 3.367 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@]13CCC[NH2+]CC3)CCCO2 ZINC001222314047 1095544994 /nfs/dbraw/zinc/54/49/94/1095544994.db2.gz AYVVXZVPRROHHR-LJQANCHMSA-N 2 1 300.446 3.120 20 0 DGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401518 1095596550 /nfs/dbraw/zinc/59/65/50/1095596550.db2.gz UYBVTGMWEBTBRO-SFHVURJKSA-N 2 1 308.510 3.461 20 0 DGADMP CC(C)(CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001222400823 1095596589 /nfs/dbraw/zinc/59/65/89/1095596589.db2.gz JHYRDVDQZZDGPV-UHFFFAOYSA-N 2 1 316.489 3.056 20 0 DGADMP Cc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(C)c1Cl ZINC001222415588 1095603467 /nfs/dbraw/zinc/60/34/67/1095603467.db2.gz XEAYSUVSMNWYFI-UHFFFAOYSA-N 2 1 322.880 3.159 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246558005 1095613647 /nfs/dbraw/zinc/61/36/47/1095613647.db2.gz NKLZTVPBTUHKCG-YPMHNXCESA-N 2 1 302.796 3.187 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC001222542298 1095659064 /nfs/dbraw/zinc/65/90/64/1095659064.db2.gz DPWABCYLRXUUBO-UHFFFAOYSA-N 2 1 305.422 3.073 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001222548258 1095661736 /nfs/dbraw/zinc/66/17/36/1095661736.db2.gz CZVGAVUEZWWPQY-UHFFFAOYSA-N 2 1 322.758 3.204 20 0 DGADMP CC(C)Oc1c(F)ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1F ZINC001222553536 1095663323 /nfs/dbraw/zinc/66/33/23/1095663323.db2.gz WBPJZHAWGQWSLF-UHFFFAOYSA-N 2 1 316.367 3.015 20 0 DGADMP Fc1ccccc1CC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595541 1095682958 /nfs/dbraw/zinc/68/29/58/1095682958.db2.gz CFXWUYVUMDGXLF-GOSISDBHSA-N 2 1 310.416 3.057 20 0 DGADMP Cc1cccc(F)c1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609719 1095692571 /nfs/dbraw/zinc/69/25/71/1095692571.db2.gz POQIKDPZUWNDFW-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP Cc1cccc(F)c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609719 1095692586 /nfs/dbraw/zinc/69/25/86/1095692586.db2.gz POQIKDPZUWNDFW-GOSISDBHSA-N 2 1 310.416 3.323 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(O)c3ccccc13)C2 ZINC001276391815 1095699964 /nfs/dbraw/zinc/69/99/64/1095699964.db2.gz VQAWZXOTDPQKAM-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001276391815 1095699976 /nfs/dbraw/zinc/69/99/76/1095699976.db2.gz VQAWZXOTDPQKAM-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001276391815 1095699981 /nfs/dbraw/zinc/69/99/81/1095699981.db2.gz VQAWZXOTDPQKAM-HXUWFJFHSA-N 2 1 310.441 3.463 20 0 DGADMP Fc1cc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC001222629917 1095700935 /nfs/dbraw/zinc/70/09/35/1095700935.db2.gz RVKRUORAIXWGRE-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Cc1nn(C)c(Cl)c1CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001137750115 1095729931 /nfs/dbraw/zinc/72/99/31/1095729931.db2.gz FTTPBURQYMUULU-LSDHHAIUSA-N 2 1 324.900 3.221 20 0 DGADMP Cc1cccc(C)c1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001137851805 1095763999 /nfs/dbraw/zinc/76/39/99/1095763999.db2.gz WTFOVYKIAIPTTH-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP Cc1cccc(C)c1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001137851805 1095764005 /nfs/dbraw/zinc/76/40/05/1095764005.db2.gz WTFOVYKIAIPTTH-UHFFFAOYSA-N 2 1 316.489 3.379 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC001246588125 1095801356 /nfs/dbraw/zinc/80/13/56/1095801356.db2.gz WDCBXHWJKVDNMA-HUUCEWRRSA-N 2 1 311.267 3.412 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232792 1095869850 /nfs/dbraw/zinc/86/98/50/1095869850.db2.gz XYECKJHPABNFDB-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232792 1095869867 /nfs/dbraw/zinc/86/98/67/1095869867.db2.gz XYECKJHPABNFDB-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232792 1095869885 /nfs/dbraw/zinc/86/98/85/1095869885.db2.gz XYECKJHPABNFDB-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232792 1095869908 /nfs/dbraw/zinc/86/99/08/1095869908.db2.gz XYECKJHPABNFDB-RBUKOAKNSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232788 1095870098 /nfs/dbraw/zinc/87/00/98/1095870098.db2.gz XYECKJHPABNFDB-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232788 1095870108 /nfs/dbraw/zinc/87/01/08/1095870108.db2.gz XYECKJHPABNFDB-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232788 1095870126 /nfs/dbraw/zinc/87/01/26/1095870126.db2.gz XYECKJHPABNFDB-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001171232788 1095870142 /nfs/dbraw/zinc/87/01/42/1095870142.db2.gz XYECKJHPABNFDB-OALUTQOASA-N 2 1 318.505 3.237 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC001118121481 1095937712 /nfs/dbraw/zinc/93/77/12/1095937712.db2.gz FWCHOVZGIMKWTA-CVEARBPZSA-N 2 1 314.477 3.446 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246638788 1095948321 /nfs/dbraw/zinc/94/83/21/1095948321.db2.gz TXICEZUXWTVULY-XJKSGUPXSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246638788 1095948331 /nfs/dbraw/zinc/94/83/31/1095948331.db2.gz TXICEZUXWTVULY-XJKSGUPXSA-N 2 1 323.278 3.208 20 0 DGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccnc(F)c2)n1 ZINC001118815358 1096084476 /nfs/dbraw/zinc/08/44/76/1096084476.db2.gz HDLVSRDKKODLDC-OAHLLOKOSA-N 2 1 300.381 3.001 20 0 DGADMP Cc1cccc(NC[C@H]2CCCN2Cc2ccnc(F)c2)n1 ZINC001118815358 1096084485 /nfs/dbraw/zinc/08/44/85/1096084485.db2.gz HDLVSRDKKODLDC-OAHLLOKOSA-N 2 1 300.381 3.001 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](CCC[NH3+])C(C)C)CC2 ZINC001171294405 1096164689 /nfs/dbraw/zinc/16/46/89/1096164689.db2.gz SQXOWMHLUPNSDN-CYBMUJFWSA-N 2 1 310.869 3.265 20 0 DGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147358558 1096209183 /nfs/dbraw/zinc/20/91/83/1096209183.db2.gz GTWLKXBPCAPZBN-JTHGQSKGSA-N 2 1 323.525 3.093 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC1CC[NH+](C)CC1 ZINC001224451563 1096216416 /nfs/dbraw/zinc/21/64/16/1096216416.db2.gz XYTQGQLJPQRYTE-PXNSSMCTSA-N 2 1 316.489 3.255 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC001119541732 1096223952 /nfs/dbraw/zinc/22/39/52/1096223952.db2.gz RYNPXNNNAHRIBF-DLBZAZTESA-N 2 1 312.461 3.255 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688804 1096245855 /nfs/dbraw/zinc/24/58/55/1096245855.db2.gz KYRYFIQBYYBRCM-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC001119688804 1096245861 /nfs/dbraw/zinc/24/58/61/1096245861.db2.gz KYRYFIQBYYBRCM-CJNGLKHVSA-N 2 1 307.869 3.434 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1cccnc1 ZINC001119769186 1096258149 /nfs/dbraw/zinc/25/81/49/1096258149.db2.gz RVWODOBRGNIZKC-UHFFFAOYSA-N 2 1 300.450 3.185 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1cccnc1 ZINC001119769186 1096258152 /nfs/dbraw/zinc/25/81/52/1096258152.db2.gz RVWODOBRGNIZKC-UHFFFAOYSA-N 2 1 300.450 3.185 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[NH+]1CCCC1 ZINC001224748351 1096277634 /nfs/dbraw/zinc/27/76/34/1096277634.db2.gz OMBKOXAEDCQIEW-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](OCCC[NH+]3CCCC3)C2)cc1 ZINC001224748295 1096277740 /nfs/dbraw/zinc/27/77/40/1096277740.db2.gz NJLMJWMVQCNXTQ-IBGZPJMESA-N 2 1 302.462 3.154 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CC2 ZINC001171314708 1096280743 /nfs/dbraw/zinc/28/07/43/1096280743.db2.gz FSNMWDATKSAUBS-OGHNNQOOSA-N 2 1 322.880 3.136 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC001171314708 1096280747 /nfs/dbraw/zinc/28/07/47/1096280747.db2.gz FSNMWDATKSAUBS-OGHNNQOOSA-N 2 1 322.880 3.136 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001224817043 1096291000 /nfs/dbraw/zinc/29/10/00/1096291000.db2.gz GTTDOXAEVFRQNG-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001224817043 1096291007 /nfs/dbraw/zinc/29/10/07/1096291007.db2.gz GTTDOXAEVFRQNG-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224817043 1096291015 /nfs/dbraw/zinc/29/10/15/1096291015.db2.gz GTTDOXAEVFRQNG-YRPNKDGESA-N 2 1 314.473 3.293 20 0 DGADMP CC[NH+]1CCC(OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224832648 1096296640 /nfs/dbraw/zinc/29/66/40/1096296640.db2.gz WWEQHGQWODYGBG-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330609 1096362703 /nfs/dbraw/zinc/36/27/03/1096362703.db2.gz TXEFTMGGEWVTJU-ROUUACIJSA-N 2 1 323.525 3.092 20 0 DGADMP Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCCC(F)(F)F)cc[nH+]1 ZINC001277063924 1096502764 /nfs/dbraw/zinc/50/27/64/1096502764.db2.gz BYISXEOIDPBSGR-GJZGRUSLSA-N 2 1 313.367 3.386 20 0 DGADMP Cc1cc(N2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)cc[nH+]1 ZINC001277065443 1096509426 /nfs/dbraw/zinc/50/94/26/1096509426.db2.gz XNUCRBPJAKUWPX-LJQANCHMSA-N 2 1 315.461 3.004 20 0 DGADMP CCOc1cc(OC)ccc1C[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001277122762 1096673138 /nfs/dbraw/zinc/67/31/38/1096673138.db2.gz SUZJCIYVWYSRDJ-MOPGFXCFSA-N 2 1 318.461 3.248 20 0 DGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171450423 1096875380 /nfs/dbraw/zinc/87/53/80/1096875380.db2.gz VJLBBCVEKASACD-KRWDZBQOSA-N 2 1 316.395 3.283 20 0 DGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171450423 1096875386 /nfs/dbraw/zinc/87/53/86/1096875386.db2.gz VJLBBCVEKASACD-KRWDZBQOSA-N 2 1 316.395 3.283 20 0 DGADMP Cc1nc([C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)no1 ZINC001171632387 1096930928 /nfs/dbraw/zinc/93/09/28/1096930928.db2.gz ZEAMYZCVWLPSNF-AWEZNQCLSA-N 2 1 320.481 3.209 20 0 DGADMP CN(C)c1ccccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619872 1096935360 /nfs/dbraw/zinc/93/53/60/1096935360.db2.gz TZTZGLYMIXEOKC-UHFFFAOYSA-N 2 1 303.494 3.494 20 0 DGADMP COc1ccc(OC)c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171618382 1096935515 /nfs/dbraw/zinc/93/55/15/1096935515.db2.gz WKHYOCBCYCAGEX-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP CCC[NH+](CCC)CCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727094 1096956076 /nfs/dbraw/zinc/95/60/76/1096956076.db2.gz PFXMLNMIGCDJCU-ICSRJNTNSA-N 2 1 317.521 3.361 20 0 DGADMP CCN(CC[NH+](CC)CC)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171761261 1096965629 /nfs/dbraw/zinc/96/56/29/1096965629.db2.gz CPWKYTHIAKPTLL-AZUAARDMSA-N 2 1 317.521 3.313 20 0 DGADMP Fc1cccc2c1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171772190 1096968717 /nfs/dbraw/zinc/96/87/17/1096968717.db2.gz AHVKBWGGWNGUGW-PKOBYXMFSA-N 2 1 324.443 3.405 20 0 DGADMP C[C@H]1C[C@H](Nc2ccc(C[NH3+])c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171739404 1096971699 /nfs/dbraw/zinc/97/16/99/1096971699.db2.gz CTVKROYHTYKHBG-KSSFIOAISA-N 2 1 313.420 3.359 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001171957979 1097004729 /nfs/dbraw/zinc/00/47/29/1097004729.db2.gz KAHNBEJNFZVHNH-GFCCVEGCSA-N 2 1 300.368 3.320 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171964120 1097006083 /nfs/dbraw/zinc/00/60/83/1097006083.db2.gz KOMIFPLFSUTHHJ-MSOLQXFVSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001171968653 1097007031 /nfs/dbraw/zinc/00/70/31/1097007031.db2.gz QPWWYZGFRRCZDJ-MSOLQXFVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001171963147 1097007214 /nfs/dbraw/zinc/00/72/14/1097007214.db2.gz DQEWPSGGRIKYDT-ZDUSSCGKSA-N 2 1 323.362 3.391 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001171963147 1097007217 /nfs/dbraw/zinc/00/72/17/1097007217.db2.gz DQEWPSGGRIKYDT-ZDUSSCGKSA-N 2 1 323.362 3.391 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCCCCO)CC[N@H+]1Cc1ccccc1 ZINC001171966252 1097007380 /nfs/dbraw/zinc/00/73/80/1097007380.db2.gz UJMYUCWYDNUNSK-GOSISDBHSA-N 2 1 304.478 3.182 20 0 DGADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966131 1097007726 /nfs/dbraw/zinc/00/77/26/1097007726.db2.gz SMGFYQBFEYXJAO-LJQANCHMSA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171967142 1097008079 /nfs/dbraw/zinc/00/80/79/1097008079.db2.gz XTPUWYRJNLLSQK-GUDVDZBRSA-N 2 1 316.489 3.323 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC001171967665 1097008672 /nfs/dbraw/zinc/00/86/72/1097008672.db2.gz AXDGDZUUMLUIBL-SFHVURJKSA-N 2 1 324.472 3.052 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001171948260 1097015414 /nfs/dbraw/zinc/01/54/14/1097015414.db2.gz BZHSMJOXICNUOV-WPZCVXBKSA-N 2 1 324.509 3.207 20 0 DGADMP CN(Cc1cncnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991546 1097016842 /nfs/dbraw/zinc/01/68/42/1097016842.db2.gz ZWFOHVKJTLMVHH-IBGZPJMESA-N 2 1 324.472 3.352 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001171974899 1097023045 /nfs/dbraw/zinc/02/30/45/1097023045.db2.gz WBJNDRQDOCVNNQ-YUELXQCFSA-N 2 1 312.379 3.130 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001171974899 1097023050 /nfs/dbraw/zinc/02/30/50/1097023050.db2.gz WBJNDRQDOCVNNQ-YUELXQCFSA-N 2 1 312.379 3.130 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001171974899 1097023056 /nfs/dbraw/zinc/02/30/56/1097023056.db2.gz WBJNDRQDOCVNNQ-YUELXQCFSA-N 2 1 312.379 3.130 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975868 1097024117 /nfs/dbraw/zinc/02/41/17/1097024117.db2.gz GXLNCPDVMQQFGN-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975868 1097024124 /nfs/dbraw/zinc/02/41/24/1097024124.db2.gz GXLNCPDVMQQFGN-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975868 1097024129 /nfs/dbraw/zinc/02/41/29/1097024129.db2.gz GXLNCPDVMQQFGN-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171975868 1097024137 /nfs/dbraw/zinc/02/41/37/1097024137.db2.gz GXLNCPDVMQQFGN-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(O)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976745 1097025390 /nfs/dbraw/zinc/02/53/90/1097025390.db2.gz NEUQWQNBFPBYMG-SFHVURJKSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977472 1097025469 /nfs/dbraw/zinc/02/54/69/1097025469.db2.gz RLXIQBVGKMDBBT-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977472 1097025474 /nfs/dbraw/zinc/02/54/74/1097025474.db2.gz RLXIQBVGKMDBBT-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977472 1097025478 /nfs/dbraw/zinc/02/54/78/1097025478.db2.gz RLXIQBVGKMDBBT-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977472 1097025482 /nfs/dbraw/zinc/02/54/82/1097025482.db2.gz RLXIQBVGKMDBBT-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP CC1(C)C[C@@H]([NH2+]CCc2cnoc2)CC[N@H+]1Cc1ccccc1 ZINC001171977775 1097025588 /nfs/dbraw/zinc/02/55/88/1097025588.db2.gz DHAMIDHMZZQTHE-SFHVURJKSA-N 2 1 313.445 3.250 20 0 DGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977467 1097026093 /nfs/dbraw/zinc/02/60/93/1097026093.db2.gz RLXIQBVGKMDBBT-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977467 1097026097 /nfs/dbraw/zinc/02/60/97/1097026097.db2.gz RLXIQBVGKMDBBT-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977467 1097026106 /nfs/dbraw/zinc/02/61/06/1097026106.db2.gz RLXIQBVGKMDBBT-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1O ZINC001171977467 1097026110 /nfs/dbraw/zinc/02/61/10/1097026110.db2.gz RLXIQBVGKMDBBT-BHIYHBOVSA-N 2 1 316.489 3.132 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCc2cnoc2)CC[N@H+]1Cc1ccccc1 ZINC001171977771 1097026397 /nfs/dbraw/zinc/02/63/97/1097026397.db2.gz DHAMIDHMZZQTHE-GOSISDBHSA-N 2 1 313.445 3.250 20 0 DGADMP COC[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978577 1097027069 /nfs/dbraw/zinc/02/70/69/1097027069.db2.gz ZSEAXLRZCWPGNC-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978577 1097027074 /nfs/dbraw/zinc/02/70/74/1097027074.db2.gz ZSEAXLRZCWPGNC-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP COC[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171978577 1097027080 /nfs/dbraw/zinc/02/70/80/1097027080.db2.gz ZSEAXLRZCWPGNC-MOPGFXCFSA-N 2 1 316.489 3.398 20 0 DGADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C[NH3+] ZINC001171984468 1097030129 /nfs/dbraw/zinc/03/01/29/1097030129.db2.gz WAYQTUKWDVAKNK-QGZVFWFLSA-N 2 1 303.494 3.099 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC001172070935 1097036835 /nfs/dbraw/zinc/03/68/35/1097036835.db2.gz SWRUPYFKPLIIOR-OWYHZJEWSA-N 2 1 316.489 3.321 20 0 DGADMP C[C@@H](CO)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076409 1097038258 /nfs/dbraw/zinc/03/82/58/1097038258.db2.gz ISLXDCMSWPVGTI-RSPOEFSDSA-N 2 1 316.489 3.180 20 0 DGADMP CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC001172061539 1097042459 /nfs/dbraw/zinc/04/24/59/1097042459.db2.gz HMMZVPTZYAOXAJ-LDLYASANSA-N 2 1 314.473 3.198 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCO2)C3)cc1 ZINC001172064924 1097043408 /nfs/dbraw/zinc/04/34/08/1097043408.db2.gz IUTOGTFESWHFDA-YRPNKDGESA-N 2 1 314.473 3.341 20 0 DGADMP OC[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069425 1097046016 /nfs/dbraw/zinc/04/60/16/1097046016.db2.gz QDPARMLITJXOQE-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069425 1097046022 /nfs/dbraw/zinc/04/60/22/1097046022.db2.gz QDPARMLITJXOQE-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069425 1097046029 /nfs/dbraw/zinc/04/60/29/1097046029.db2.gz QDPARMLITJXOQE-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP OC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069425 1097046034 /nfs/dbraw/zinc/04/60/34/1097046034.db2.gz QDPARMLITJXOQE-YRPNKDGESA-N 2 1 314.473 3.029 20 0 DGADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069832 1097046192 /nfs/dbraw/zinc/04/61/92/1097046192.db2.gz XYNNYKAYFBWELJ-XIKSMUEASA-N 2 1 314.473 3.339 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127088 1097047435 /nfs/dbraw/zinc/04/74/35/1097047435.db2.gz GWPSVDOCZXLZDR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127088 1097047440 /nfs/dbraw/zinc/04/74/40/1097047440.db2.gz GWPSVDOCZXLZDR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127088 1097047446 /nfs/dbraw/zinc/04/74/46/1097047446.db2.gz GWPSVDOCZXLZDR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127088 1097047453 /nfs/dbraw/zinc/04/74/53/1097047453.db2.gz GWPSVDOCZXLZDR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1)C2 ZINC001172127088 1097047459 /nfs/dbraw/zinc/04/74/59/1097047459.db2.gz GWPSVDOCZXLZDR-MWDXBVQZSA-N 2 1 322.493 3.055 20 0 DGADMP C[C@@H]1C(=O)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)C12CCCC2 ZINC001172129885 1097049582 /nfs/dbraw/zinc/04/95/82/1097049582.db2.gz DTCOBVGBWDXXNM-NCOADZHNSA-N 2 1 304.478 3.225 20 0 DGADMP CCCC[NH+]1CCC(N(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172129547 1097049687 /nfs/dbraw/zinc/04/96/87/1097049687.db2.gz CJPUKWSOLNLURI-BWTSREIZSA-N 3 1 307.526 3.198 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157572 1097050901 /nfs/dbraw/zinc/05/09/01/1097050901.db2.gz ZQIITDGWUGRGLP-UONOGXRCSA-N 2 1 304.331 3.009 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157572 1097050907 /nfs/dbraw/zinc/05/09/07/1097050907.db2.gz ZQIITDGWUGRGLP-UONOGXRCSA-N 2 1 304.331 3.009 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3cccc(F)c3)C1)C2 ZINC001172132852 1097051031 /nfs/dbraw/zinc/05/10/31/1097051031.db2.gz OYVXCQHRGLFDFQ-VUHPKUFZSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)C2 ZINC001172132852 1097051037 /nfs/dbraw/zinc/05/10/37/1097051037.db2.gz OYVXCQHRGLFDFQ-VUHPKUFZSA-N 2 1 318.436 3.294 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3cccc(F)c3)C1)C2 ZINC001172132852 1097051043 /nfs/dbraw/zinc/05/10/43/1097051043.db2.gz OYVXCQHRGLFDFQ-VUHPKUFZSA-N 2 1 318.436 3.294 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cc(-c3ccccc3)on1)C2 ZINC001172104580 1097052762 /nfs/dbraw/zinc/05/27/62/1097052762.db2.gz DBVZLKHLRZFMMI-VBUUOAMHSA-N 2 1 311.429 3.447 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)C2 ZINC001172105799 1097054408 /nfs/dbraw/zinc/05/44/08/1097054408.db2.gz KMHNQOVUQWIXOZ-OGJJZOIMSA-N 3 1 307.526 3.135 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)C2 ZINC001172105799 1097054415 /nfs/dbraw/zinc/05/44/15/1097054415.db2.gz KMHNQOVUQWIXOZ-OGJJZOIMSA-N 3 1 307.526 3.135 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172108847 1097054829 /nfs/dbraw/zinc/05/48/29/1097054829.db2.gz GWGORAJUXBICLX-CADBVGFASA-N 2 1 314.473 3.157 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172108847 1097054832 /nfs/dbraw/zinc/05/48/32/1097054832.db2.gz GWGORAJUXBICLX-CADBVGFASA-N 2 1 314.473 3.157 20 0 DGADMP CC(C)CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172111311 1097056108 /nfs/dbraw/zinc/05/61/08/1097056108.db2.gz PWAWGUQDWXTGSZ-NNZMDNLPSA-N 2 1 308.510 3.434 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CSc3ccccc3C1)C2 ZINC001172111193 1097057165 /nfs/dbraw/zinc/05/71/65/1097057165.db2.gz TYLXKIHECZSXEP-NXOAAHMSSA-N 2 1 302.487 3.308 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CSc3ccccc3C1)C2 ZINC001172111193 1097057172 /nfs/dbraw/zinc/05/71/72/1097057172.db2.gz TYLXKIHECZSXEP-NXOAAHMSSA-N 2 1 302.487 3.308 20 0 DGADMP COc1cccc2c1c(C[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112807 1097059076 /nfs/dbraw/zinc/05/90/76/1097059076.db2.gz AGPOQHLYOBSRBZ-ZSHCYNCHSA-N 2 1 313.445 3.296 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)C2 ZINC001172113436 1097059133 /nfs/dbraw/zinc/05/91/33/1097059133.db2.gz HDJIKYQNRVQCMD-ACDBMABISA-N 3 1 319.537 3.103 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCC3)CC1)C2 ZINC001172113436 1097059137 /nfs/dbraw/zinc/05/91/37/1097059137.db2.gz HDJIKYQNRVQCMD-ACDBMABISA-N 2 1 319.537 3.103 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001172113387 1097059213 /nfs/dbraw/zinc/05/92/13/1097059213.db2.gz CRHZYCIMOVYCKU-IXJQEDDXSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC001172113387 1097059217 /nfs/dbraw/zinc/05/92/17/1097059217.db2.gz CRHZYCIMOVYCKU-IXJQEDDXSA-N 2 1 322.880 3.367 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112576 1097059843 /nfs/dbraw/zinc/05/98/43/1097059843.db2.gz XXJBGIFNUXPDBL-OKYOBFRVSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112576 1097059849 /nfs/dbraw/zinc/05/98/49/1097059849.db2.gz XXJBGIFNUXPDBL-OKYOBFRVSA-N 2 1 302.437 3.288 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114015 1097061624 /nfs/dbraw/zinc/06/16/24/1097061624.db2.gz NTXUMWYWFQGCSM-WNRNVDISSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114015 1097061629 /nfs/dbraw/zinc/06/16/29/1097061629.db2.gz NTXUMWYWFQGCSM-WNRNVDISSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114015 1097061633 /nfs/dbraw/zinc/06/16/33/1097061633.db2.gz NTXUMWYWFQGCSM-WNRNVDISSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114015 1097061640 /nfs/dbraw/zinc/06/16/40/1097061640.db2.gz NTXUMWYWFQGCSM-WNRNVDISSA-N 2 1 314.473 3.500 20 0 DGADMP Cc1cccn2c([C@H](C)[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cnc12 ZINC001172119292 1097063839 /nfs/dbraw/zinc/06/38/39/1097063839.db2.gz YGQKTHRPVJVAGB-LUKYLMHMSA-N 2 1 312.461 3.309 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121510 1097064848 /nfs/dbraw/zinc/06/48/48/1097064848.db2.gz KDRXMRRYMNPTLR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121510 1097064853 /nfs/dbraw/zinc/06/48/53/1097064853.db2.gz KDRXMRRYMNPTLR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121510 1097064858 /nfs/dbraw/zinc/06/48/58/1097064858.db2.gz KDRXMRRYMNPTLR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001172121510 1097064860 /nfs/dbraw/zinc/06/48/60/1097064860.db2.gz KDRXMRRYMNPTLR-NCOADZHNSA-N 2 1 322.493 3.055 20 0 DGADMP COc1cccc2c(C[NH3+])cn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c21 ZINC001172119440 1097065039 /nfs/dbraw/zinc/06/50/39/1097065039.db2.gz ZVEMHRPDLABCKY-MUJYYYPQSA-N 2 1 313.445 3.296 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001172123493 1097066189 /nfs/dbraw/zinc/06/61/89/1097066189.db2.gz DKUDRTDYHPQTKY-OMZCGLGVSA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C2 ZINC001172123493 1097066193 /nfs/dbraw/zinc/06/61/93/1097066193.db2.gz DKUDRTDYHPQTKY-OMZCGLGVSA-N 2 1 319.537 3.341 20 0 DGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C2 ZINC001172123493 1097066196 /nfs/dbraw/zinc/06/61/96/1097066196.db2.gz DKUDRTDYHPQTKY-OMZCGLGVSA-N 3 1 319.537 3.341 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172122763 1097066408 /nfs/dbraw/zinc/06/64/08/1097066408.db2.gz UKQIMEIKWSHHOJ-BWTSREIZSA-N 2 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172122763 1097066412 /nfs/dbraw/zinc/06/64/12/1097066412.db2.gz UKQIMEIKWSHHOJ-BWTSREIZSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172122763 1097066416 /nfs/dbraw/zinc/06/64/16/1097066416.db2.gz UKQIMEIKWSHHOJ-BWTSREIZSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122763 1097066419 /nfs/dbraw/zinc/06/64/19/1097066419.db2.gz UKQIMEIKWSHHOJ-BWTSREIZSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122763 1097066425 /nfs/dbraw/zinc/06/64/25/1097066425.db2.gz UKQIMEIKWSHHOJ-BWTSREIZSA-N 3 1 307.526 3.054 20 0 DGADMP CCOC(=O)CCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122356 1097066959 /nfs/dbraw/zinc/06/69/59/1097066959.db2.gz PKGFSZRFQBNPQK-BCDXTJNWSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)CCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122356 1097066965 /nfs/dbraw/zinc/06/69/65/1097066965.db2.gz PKGFSZRFQBNPQK-BCDXTJNWSA-N 2 1 322.493 3.057 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C2(c3cccc(C)c3)CC2)CC1 ZINC001172249224 1097090978 /nfs/dbraw/zinc/09/09/78/1097090978.db2.gz IUQRAVGTMZFVKN-UHFFFAOYSA-N 2 1 302.462 3.075 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001172253250 1097091460 /nfs/dbraw/zinc/09/14/60/1097091460.db2.gz IDYOPVOFVCQPHQ-KRWDZBQOSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001172253250 1097091465 /nfs/dbraw/zinc/09/14/65/1097091465.db2.gz IDYOPVOFVCQPHQ-KRWDZBQOSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001172255276 1097092751 /nfs/dbraw/zinc/09/27/51/1097092751.db2.gz LUPLTTZKZPBLNF-IBGZPJMESA-N 2 1 302.462 3.324 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001172255276 1097092758 /nfs/dbraw/zinc/09/27/58/1097092758.db2.gz LUPLTTZKZPBLNF-IBGZPJMESA-N 2 1 302.462 3.324 20 0 DGADMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172286738 1097105235 /nfs/dbraw/zinc/10/52/35/1097105235.db2.gz LLZCSPUQFXOVFK-GOSISDBHSA-N 2 1 302.462 3.150 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172286738 1097105239 /nfs/dbraw/zinc/10/52/39/1097105239.db2.gz LLZCSPUQFXOVFK-GOSISDBHSA-N 2 1 302.462 3.150 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001172411218 1097132428 /nfs/dbraw/zinc/13/24/28/1097132428.db2.gz GCQGYTKZNLBMMI-CQSZACIVSA-N 2 1 310.869 3.405 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172423211 1097135986 /nfs/dbraw/zinc/13/59/86/1097135986.db2.gz KDJARUSYZQPBFY-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172423211 1097135988 /nfs/dbraw/zinc/13/59/88/1097135988.db2.gz KDJARUSYZQPBFY-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172423208 1097136306 /nfs/dbraw/zinc/13/63/06/1097136306.db2.gz KDJARUSYZQPBFY-AOIWGVFYSA-N 2 1 304.478 3.302 20 0 DGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172423208 1097136310 /nfs/dbraw/zinc/13/63/10/1097136310.db2.gz KDJARUSYZQPBFY-AOIWGVFYSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cs1 ZINC001277310212 1097139905 /nfs/dbraw/zinc/13/99/05/1097139905.db2.gz IQQAEDZOZIXJSS-UHFFFAOYSA-N 2 1 315.486 3.483 20 0 DGADMP CC[C@@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172389064 1097142189 /nfs/dbraw/zinc/14/21/89/1097142189.db2.gz KGVIQHXGHQKKKF-FQEVSTJZSA-N 2 1 317.521 3.348 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001172618672 1097196786 /nfs/dbraw/zinc/19/67/86/1097196786.db2.gz YYSJHUNADXXPHV-KURKYZTESA-N 2 1 322.493 3.059 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001172618674 1097196971 /nfs/dbraw/zinc/19/69/71/1097196971.db2.gz YYSJHUNADXXPHV-SQNIBIBYSA-N 2 1 322.493 3.059 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206175717 1097236683 /nfs/dbraw/zinc/23/66/83/1097236683.db2.gz XHBJBZOVKPUTGD-HUUCEWRRSA-N 2 1 319.449 3.380 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939191 1097286786 /nfs/dbraw/zinc/28/67/86/1097286786.db2.gz QAOXWOJHAGEVHM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939191 1097286792 /nfs/dbraw/zinc/28/67/92/1097286792.db2.gz QAOXWOJHAGEVHM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939191 1097286797 /nfs/dbraw/zinc/28/67/97/1097286797.db2.gz QAOXWOJHAGEVHM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001172939191 1097286802 /nfs/dbraw/zinc/28/68/02/1097286802.db2.gz QAOXWOJHAGEVHM-VVLHAWIVSA-N 2 1 320.502 3.069 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CCOCC3)CC1)C2 ZINC001173041088 1097309895 /nfs/dbraw/zinc/30/98/95/1097309895.db2.gz AHJNGEURDYDWPM-BCDXTJNWSA-N 2 1 306.494 3.331 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CCOCC3)CC1)C2 ZINC001173041088 1097309904 /nfs/dbraw/zinc/30/99/04/1097309904.db2.gz AHJNGEURDYDWPM-BCDXTJNWSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173074165 1097323312 /nfs/dbraw/zinc/32/33/12/1097323312.db2.gz CWRFADOUYGSUJN-RYUDHWBXSA-N 2 1 304.356 3.043 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CC1 ZINC001173111414 1097333056 /nfs/dbraw/zinc/33/30/56/1097333056.db2.gz FMICIKSUEOMCMW-ARZKPCJCSA-N 2 1 308.510 3.386 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001173113363 1097333069 /nfs/dbraw/zinc/33/30/69/1097333069.db2.gz OEZZVBGSYKWDLA-ACBHZAAOSA-N 2 1 317.477 3.108 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001173113363 1097333073 /nfs/dbraw/zinc/33/30/73/1097333073.db2.gz OEZZVBGSYKWDLA-ACBHZAAOSA-N 2 1 317.477 3.108 20 0 DGADMP CCOC(=O)[C@@H]1CCCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173113505 1097333336 /nfs/dbraw/zinc/33/33/36/1097333336.db2.gz RJUADHSPZJONRX-WWDZGPRUSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1nc(CN2CCC3(CCC[N@H+](C)C3)CC2)ccc1Cl ZINC001277397140 1097340730 /nfs/dbraw/zinc/34/07/30/1097340730.db2.gz WHKRKQVSOMOFDF-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1nc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1Cl ZINC001277397140 1097340734 /nfs/dbraw/zinc/34/07/34/1097340734.db2.gz WHKRKQVSOMOFDF-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1nc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ccc1Cl ZINC001277397140 1097340737 /nfs/dbraw/zinc/34/07/37/1097340737.db2.gz WHKRKQVSOMOFDF-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001173168525 1097363081 /nfs/dbraw/zinc/36/30/81/1097363081.db2.gz KKEDADMWCYDPQV-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170554 1097365180 /nfs/dbraw/zinc/36/51/80/1097365180.db2.gz NTITXENNBBBJEE-UHOSZYNNSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC001173170554 1097365184 /nfs/dbraw/zinc/36/51/84/1097365184.db2.gz NTITXENNBBBJEE-UHOSZYNNSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001173354532 1097430692 /nfs/dbraw/zinc/43/06/92/1097430692.db2.gz PCTFPHWJCGAQCB-JTQLQIEISA-N 2 1 319.758 3.368 20 0 DGADMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001173354532 1097430694 /nfs/dbraw/zinc/43/06/94/1097430694.db2.gz PCTFPHWJCGAQCB-JTQLQIEISA-N 2 1 319.758 3.368 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173476001 1097445111 /nfs/dbraw/zinc/44/51/11/1097445111.db2.gz NDKDXZZXNKVSGH-AWEZNQCLSA-N 2 1 308.416 3.285 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173476001 1097445114 /nfs/dbraw/zinc/44/51/14/1097445114.db2.gz NDKDXZZXNKVSGH-AWEZNQCLSA-N 2 1 308.416 3.285 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001231436057 1097749241 /nfs/dbraw/zinc/74/92/41/1097749241.db2.gz DJQWSSVGWBGOPG-UHFFFAOYSA-N 2 1 311.473 3.432 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001231436057 1097749247 /nfs/dbraw/zinc/74/92/47/1097749247.db2.gz DJQWSSVGWBGOPG-UHFFFAOYSA-N 2 1 311.473 3.432 20 0 DGADMP CN(C)c1ccc2cc(C[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001231436057 1097749251 /nfs/dbraw/zinc/74/92/51/1097749251.db2.gz DJQWSSVGWBGOPG-UHFFFAOYSA-N 2 1 311.473 3.432 20 0 DGADMP CC(C)c1ccccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001231875699 1097876253 /nfs/dbraw/zinc/87/62/53/1097876253.db2.gz OWPIPRCULCEXDG-UHFFFAOYSA-N 2 1 315.461 3.440 20 0 DGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232005538 1097914572 /nfs/dbraw/zinc/91/45/72/1097914572.db2.gz NVKKQHZACONXOT-GASCZTMLSA-N 2 1 312.379 3.397 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232005538 1097914575 /nfs/dbraw/zinc/91/45/75/1097914575.db2.gz NVKKQHZACONXOT-GASCZTMLSA-N 2 1 312.379 3.397 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232005538 1097914579 /nfs/dbraw/zinc/91/45/79/1097914579.db2.gz NVKKQHZACONXOT-GASCZTMLSA-N 2 1 312.379 3.397 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232005538 1097914582 /nfs/dbraw/zinc/91/45/82/1097914582.db2.gz NVKKQHZACONXOT-GASCZTMLSA-N 2 1 312.379 3.397 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015113 1097917403 /nfs/dbraw/zinc/91/74/03/1097917403.db2.gz ARPYJIYQDTXQDX-HNNXBMFYSA-N 2 1 315.417 3.259 20 0 DGADMP c1c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232014940 1097917849 /nfs/dbraw/zinc/91/78/49/1097917849.db2.gz ZCPCAURWQDGDOB-SFHVURJKSA-N 2 1 307.397 3.354 20 0 DGADMP COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232149971 1097951471 /nfs/dbraw/zinc/95/14/71/1097951471.db2.gz NNOYJLYXVCMMSW-MJGOQNOKSA-N 2 1 320.452 3.136 20 0 DGADMP C[N@H+](Cc1cnsc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232230975 1097976542 /nfs/dbraw/zinc/97/65/42/1097976542.db2.gz YXTVJEHIQUBSHU-UHFFFAOYSA-N 2 1 315.486 3.487 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(-c4cc[nH]n4)c3)CC2)C1 ZINC001277637061 1097983462 /nfs/dbraw/zinc/98/34/62/1097983462.db2.gz QVGHDBWBWDRMJB-UHFFFAOYSA-N 2 1 324.472 3.385 20 0 DGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257001 1097994005 /nfs/dbraw/zinc/99/40/05/1097994005.db2.gz RRXHBYIBPCUGBN-FDICQLOXSA-N 2 1 323.525 3.092 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2)CC1 ZINC001175351386 1098021254 /nfs/dbraw/zinc/02/12/54/1098021254.db2.gz LLEBHWRPFRPBTF-WOJBJXKFSA-N 2 1 316.489 3.306 20 0 DGADMP COc1cc(O)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232807532 1098141784 /nfs/dbraw/zinc/14/17/84/1098141784.db2.gz VAGGKVAHLMCBLZ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232807532 1098141788 /nfs/dbraw/zinc/14/17/88/1098141788.db2.gz VAGGKVAHLMCBLZ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001232807532 1098141791 /nfs/dbraw/zinc/14/17/91/1098141791.db2.gz VAGGKVAHLMCBLZ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP COc1cc(O)cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001232807532 1098141795 /nfs/dbraw/zinc/14/17/95/1098141795.db2.gz VAGGKVAHLMCBLZ-DLBZAZTESA-N 2 1 318.461 3.240 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3-n3cccc3)C2)CC1 ZINC001232910342 1098171116 /nfs/dbraw/zinc/17/11/16/1098171116.db2.gz IXXZIQJFLQXRFI-UHFFFAOYSA-N 2 1 309.457 3.395 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232983534 1098192864 /nfs/dbraw/zinc/19/28/64/1098192864.db2.gz KHJMAWOYMGMTHD-UHFFFAOYSA-N 2 1 313.445 3.194 20 0 DGADMP CCOc1ncc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001233172841 1098245514 /nfs/dbraw/zinc/24/55/14/1098245514.db2.gz GXWZICYRMJFFMC-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP C[NH+]1CC2(C1)CC[NH+](Cc1csc(C(F)(F)F)c1)CC2 ZINC001233178057 1098246516 /nfs/dbraw/zinc/24/65/16/1098246516.db2.gz UFQPJWVJXGXYBW-UHFFFAOYSA-N 2 1 304.381 3.295 20 0 DGADMP CC(=O)Nc1cc(Nc2cccc(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC001176195583 1098276591 /nfs/dbraw/zinc/27/65/91/1098276591.db2.gz FDNNJGKNWCXFBS-UHFFFAOYSA-N 2 1 310.401 3.379 20 0 DGADMP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001176243087 1098293940 /nfs/dbraw/zinc/29/39/40/1098293940.db2.gz KPVOYGDSXDPQOO-QZTJIDSGSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001176243087 1098293947 /nfs/dbraw/zinc/29/39/47/1098293947.db2.gz KPVOYGDSXDPQOO-QZTJIDSGSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001176243087 1098293954 /nfs/dbraw/zinc/29/39/54/1098293954.db2.gz KPVOYGDSXDPQOO-QZTJIDSGSA-N 2 1 316.489 3.387 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4nc(Cl)ccc4c3)C2)C1 ZINC001233445819 1098336712 /nfs/dbraw/zinc/33/67/12/1098336712.db2.gz VWIUULPNTWZRAP-SFHVURJKSA-N 2 1 315.848 3.416 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4nc(Cl)ccc4c3)C2)C1 ZINC001233445819 1098336720 /nfs/dbraw/zinc/33/67/20/1098336720.db2.gz VWIUULPNTWZRAP-SFHVURJKSA-N 2 1 315.848 3.416 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4nc(Cl)ccc4c3)C2)C1 ZINC001233445819 1098336728 /nfs/dbraw/zinc/33/67/28/1098336728.db2.gz VWIUULPNTWZRAP-SFHVURJKSA-N 2 1 315.848 3.416 20 0 DGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176759920 1098433944 /nfs/dbraw/zinc/43/39/44/1098433944.db2.gz OOKYLIVWUVECGS-KRWDZBQOSA-N 2 1 313.530 3.172 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001177554172 1098547394 /nfs/dbraw/zinc/54/73/94/1098547394.db2.gz NBSIFTPEOSFPAE-UHFFFAOYSA-N 2 1 322.412 3.477 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234979523 1098732650 /nfs/dbraw/zinc/73/26/50/1098732650.db2.gz OVNFCEIPVLQVIO-KDURUIRLSA-N 2 1 308.425 3.013 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C(C)C ZINC001234992487 1098736268 /nfs/dbraw/zinc/73/62/68/1098736268.db2.gz JTFFJXWBGJPETH-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C(C)C ZINC001234992487 1098736269 /nfs/dbraw/zinc/73/62/69/1098736269.db2.gz JTFFJXWBGJPETH-IBGZPJMESA-N 2 1 302.462 3.394 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001234990494 1098736656 /nfs/dbraw/zinc/73/66/56/1098736656.db2.gz ABJNMWVPGRZAAO-IBGZPJMESA-N 2 1 302.462 3.196 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234994421 1098737750 /nfs/dbraw/zinc/73/77/50/1098737750.db2.gz SWAJFNJRTYPOHI-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234994421 1098737754 /nfs/dbraw/zinc/73/77/54/1098737754.db2.gz SWAJFNJRTYPOHI-LJQANCHMSA-N 2 1 302.462 3.441 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997427 1098740906 /nfs/dbraw/zinc/74/09/06/1098740906.db2.gz CKLVNHJRNVRRSC-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997427 1098740913 /nfs/dbraw/zinc/74/09/13/1098740913.db2.gz CKLVNHJRNVRRSC-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc2sc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC001234997370 1098740940 /nfs/dbraw/zinc/74/09/40/1098740940.db2.gz BRLIWBCVNDOSSD-GOSISDBHSA-N 2 1 316.470 3.485 20 0 DGADMP CCc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(CC)c1O ZINC001235000211 1098743379 /nfs/dbraw/zinc/74/33/79/1098743379.db2.gz PMEKUPIIGPFXAK-LJQANCHMSA-N 2 1 302.462 3.093 20 0 DGADMP CCc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(CC)c1O ZINC001235000211 1098743389 /nfs/dbraw/zinc/74/33/89/1098743389.db2.gz PMEKUPIIGPFXAK-LJQANCHMSA-N 2 1 302.462 3.093 20 0 DGADMP Clc1ccc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)nc1 ZINC001235027236 1098757615 /nfs/dbraw/zinc/75/76/15/1098757615.db2.gz YOFFWHMSHHCPCL-UHFFFAOYSA-N 2 1 313.832 3.197 20 0 DGADMP Clc1ccc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)nc1 ZINC001235027236 1098757626 /nfs/dbraw/zinc/75/76/26/1098757626.db2.gz YOFFWHMSHHCPCL-UHFFFAOYSA-N 2 1 313.832 3.197 20 0 DGADMP c1ccc(CCc2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025993 1098757942 /nfs/dbraw/zinc/75/79/42/1098757942.db2.gz IWGUYYPTXAZBMQ-UHFFFAOYSA-N 2 1 306.453 3.267 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+]3CCC4(C[NH2+]C4)C3)ccc21 ZINC001235024466 1098758382 /nfs/dbraw/zinc/75/83/82/1098758382.db2.gz MAXNNSCPXPZORP-UHFFFAOYSA-N 2 1 305.425 3.127 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3CCC4(C[NH2+]C4)C3)ccc21 ZINC001235024466 1098758390 /nfs/dbraw/zinc/75/83/90/1098758390.db2.gz MAXNNSCPXPZORP-UHFFFAOYSA-N 2 1 305.425 3.127 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc1-2 ZINC001235031913 1098762002 /nfs/dbraw/zinc/76/20/02/1098762002.db2.gz HQPZINHIBDUDJZ-OAQYLSRUSA-N 2 1 304.437 3.443 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235031840 1098762603 /nfs/dbraw/zinc/76/26/03/1098762603.db2.gz PEIJTVVILJJQPO-ICSRJNTNSA-N 2 1 320.521 3.340 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235034055 1098764210 /nfs/dbraw/zinc/76/42/10/1098764210.db2.gz TULGRCANFWGULT-NRFANRHFSA-N 2 1 322.452 3.451 20 0 DGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235052395 1098777169 /nfs/dbraw/zinc/77/71/69/1098777169.db2.gz FBAGOGFXJGMIPT-PMACEKPBSA-N 2 1 317.521 3.097 20 0 DGADMP CCc1cccc(C)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235090077 1098793188 /nfs/dbraw/zinc/79/31/88/1098793188.db2.gz ABJNHZMNGADYQX-QGZVFWFLSA-N 2 1 308.416 3.378 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(N3CCCC3)c2)CC1 ZINC001235092203 1098795135 /nfs/dbraw/zinc/79/51/35/1098795135.db2.gz KWGKSBGXAKDDED-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(N3CCCC3)c2)CC1 ZINC001235092203 1098795144 /nfs/dbraw/zinc/79/51/44/1098795144.db2.gz KWGKSBGXAKDDED-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(N4CCCC4)c3)C[C@@H]2C1 ZINC001235097783 1098798660 /nfs/dbraw/zinc/79/86/60/1098798660.db2.gz CYEABDPXQMSUCE-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(N4CCCC4)c3)C[C@@H]2C1 ZINC001235097783 1098798670 /nfs/dbraw/zinc/79/86/70/1098798670.db2.gz CYEABDPXQMSUCE-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(N4CCCC4)c3)C[C@@H]2C1 ZINC001235097783 1098798677 /nfs/dbraw/zinc/79/86/77/1098798677.db2.gz CYEABDPXQMSUCE-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(N4CCCC4)c3)C[C@@H]2C1 ZINC001235097783 1098798680 /nfs/dbraw/zinc/79/86/80/1098798680.db2.gz CYEABDPXQMSUCE-KDURUIRLSA-N 2 1 313.489 3.060 20 0 DGADMP Fc1c(Cl)ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1F ZINC001235103763 1098802443 /nfs/dbraw/zinc/80/24/43/1098802443.db2.gz KMKFMMKFEVHPII-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235109338 1098806698 /nfs/dbraw/zinc/80/66/98/1098806698.db2.gz BJSWITJODZXWRR-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235109338 1098806716 /nfs/dbraw/zinc/80/67/16/1098806716.db2.gz BJSWITJODZXWRR-MRXNPFEDSA-N 2 1 312.379 3.466 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110074 1098811136 /nfs/dbraw/zinc/81/11/36/1098811136.db2.gz IFEKFRRSRKGZJE-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110074 1098811149 /nfs/dbraw/zinc/81/11/49/1098811149.db2.gz IFEKFRRSRKGZJE-SFHVURJKSA-N 2 1 310.482 3.108 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(C)c1 ZINC001235152229 1098836921 /nfs/dbraw/zinc/83/69/21/1098836921.db2.gz FLHSHGRFVKCQKR-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP Fc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1F ZINC001235154445 1098839333 /nfs/dbraw/zinc/83/93/33/1098839333.db2.gz LVJVSTSCNPSGQE-OAHLLOKOSA-N 2 1 312.379 3.458 20 0 DGADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc(OC)c1 ZINC001178463411 1098840909 /nfs/dbraw/zinc/84/09/09/1098840909.db2.gz PEYLAMIDWJDNIP-OAHLLOKOSA-N 2 1 306.450 3.058 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159786 1098843828 /nfs/dbraw/zinc/84/38/28/1098843828.db2.gz ONSJDBSMFYGXED-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP COc1c(F)ccc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158627 1098845497 /nfs/dbraw/zinc/84/54/97/1098845497.db2.gz LSBZLBXGMGHPEF-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235160458 1098846518 /nfs/dbraw/zinc/84/65/18/1098846518.db2.gz XIACEXMVKWWQQX-LJQANCHMSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235160868 1098846863 /nfs/dbraw/zinc/84/68/63/1098846863.db2.gz RKTXWZNNHQQFDT-LJQANCHMSA-N 2 1 302.462 3.358 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001235168794 1098850748 /nfs/dbraw/zinc/85/07/48/1098850748.db2.gz UPKIYONCXSZNSZ-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001235168794 1098850753 /nfs/dbraw/zinc/85/07/53/1098850753.db2.gz UPKIYONCXSZNSZ-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235187627 1098865672 /nfs/dbraw/zinc/86/56/72/1098865672.db2.gz ZQVNUQBJRGGYHC-CABCVRRESA-N 2 1 312.379 3.179 20 0 DGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC001235210380 1098882244 /nfs/dbraw/zinc/88/22/44/1098882244.db2.gz ZNZMZMUHIOKNOM-QRVBRYPASA-N 2 1 320.521 3.338 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235238738 1098911466 /nfs/dbraw/zinc/91/14/66/1098911466.db2.gz HSBHOCHXGAAAMY-MRXNPFEDSA-N 2 1 324.415 3.328 20 0 DGADMP COc1ccnc(Cl)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235242630 1098916410 /nfs/dbraw/zinc/91/64/10/1098916410.db2.gz SRJASZKAQNOXGE-HNNXBMFYSA-N 2 1 323.868 3.098 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235243890 1098916598 /nfs/dbraw/zinc/91/65/98/1098916598.db2.gz ZLOBBMTVQQUSQZ-KRWDZBQOSA-N 2 1 324.415 3.328 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001235253067 1098925435 /nfs/dbraw/zinc/92/54/35/1098925435.db2.gz BSUJTGUKPVXMIS-GBESFXJTSA-N 2 1 320.521 3.338 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001235253067 1098925444 /nfs/dbraw/zinc/92/54/44/1098925444.db2.gz BSUJTGUKPVXMIS-GBESFXJTSA-N 2 1 320.521 3.338 20 0 DGADMP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235254536 1098927661 /nfs/dbraw/zinc/92/76/61/1098927661.db2.gz JRGJZLXMMCOSHB-GOEBONIOSA-N 2 1 312.379 3.322 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001235260654 1098933947 /nfs/dbraw/zinc/93/39/47/1098933947.db2.gz GYFDSLIKYZZVHT-QZTJIDSGSA-N 2 1 302.462 3.274 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001235260654 1098933955 /nfs/dbraw/zinc/93/39/55/1098933955.db2.gz GYFDSLIKYZZVHT-QZTJIDSGSA-N 2 1 302.462 3.274 20 0 DGADMP c1ccc(CCc2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235264494 1098935413 /nfs/dbraw/zinc/93/54/13/1098935413.db2.gz YJJSARLCLRPZGE-SFTDATJTSA-N 2 1 306.453 3.266 20 0 DGADMP c1ccc(CCc2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235264494 1098935420 /nfs/dbraw/zinc/93/54/20/1098935420.db2.gz YJJSARLCLRPZGE-SFTDATJTSA-N 2 1 306.453 3.266 20 0 DGADMP c1ccc(CCc2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235264489 1098935553 /nfs/dbraw/zinc/93/55/53/1098935553.db2.gz YJJSARLCLRPZGE-LEWJYISDSA-N 2 1 306.453 3.266 20 0 DGADMP c1ccc(CCc2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235264489 1098935564 /nfs/dbraw/zinc/93/55/64/1098935564.db2.gz YJJSARLCLRPZGE-LEWJYISDSA-N 2 1 306.453 3.266 20 0 DGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264070 1098936223 /nfs/dbraw/zinc/93/62/23/1098936223.db2.gz VWXHIOLNJQUBLI-QUCCMNQESA-N 2 1 308.425 3.156 20 0 DGADMP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264070 1098936235 /nfs/dbraw/zinc/93/62/35/1098936235.db2.gz VWXHIOLNJQUBLI-QUCCMNQESA-N 2 1 308.425 3.156 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235265634 1098937456 /nfs/dbraw/zinc/93/74/56/1098937456.db2.gz CVYLNYKANPZVHI-LEWJYISDSA-N 2 1 306.453 3.461 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c(OCc2ccccc2)cc1C ZINC001235282627 1098942081 /nfs/dbraw/zinc/94/20/81/1098942081.db2.gz CCEWXPDSMUYYLP-CEQLMSFQSA-N 2 1 322.452 3.271 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c(OCc2ccccc2)cc1C ZINC001235282627 1098942090 /nfs/dbraw/zinc/94/20/90/1098942090.db2.gz CCEWXPDSMUYYLP-CEQLMSFQSA-N 2 1 322.452 3.271 20 0 DGADMP CCOc1ccc(C)c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001277935122 1098942123 /nfs/dbraw/zinc/94/21/23/1098942123.db2.gz VBRXOLNOPRPYBC-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001277935122 1098942155 /nfs/dbraw/zinc/94/21/55/1098942155.db2.gz VBRXOLNOPRPYBC-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001277935122 1098942164 /nfs/dbraw/zinc/94/21/64/1098942164.db2.gz VBRXOLNOPRPYBC-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001277935124 1098942334 /nfs/dbraw/zinc/94/23/34/1098942334.db2.gz VDFAEXSEVBNOCR-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC001235284317 1098942942 /nfs/dbraw/zinc/94/29/42/1098942942.db2.gz KZCSPDDGPXXCCI-ACDBMABISA-N 2 1 307.441 3.152 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC001235285887 1098943964 /nfs/dbraw/zinc/94/39/64/1098943964.db2.gz VMDWEYCRFKLIEI-IZZQQSIFSA-N 2 1 312.388 3.315 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC001235285887 1098943973 /nfs/dbraw/zinc/94/39/73/1098943973.db2.gz VMDWEYCRFKLIEI-IZZQQSIFSA-N 2 1 312.388 3.315 20 0 DGADMP Clc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(Cl)s1 ZINC001235334771 1098959843 /nfs/dbraw/zinc/95/98/43/1098959843.db2.gz GJJRNSWYTPJYTF-UHFFFAOYSA-N 2 1 305.274 3.486 20 0 DGADMP FC(F)(F)c1ccc(Cl)cc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340022 1098964573 /nfs/dbraw/zinc/96/45/73/1098964573.db2.gz GOUOGWYHSAFHNM-JTQLQIEISA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1cc(Cl)ccc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341596 1098965372 /nfs/dbraw/zinc/96/53/72/1098965372.db2.gz RFEOBPKYFJFAMB-JTQLQIEISA-N 2 1 318.770 3.400 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C2 ZINC001178935480 1098965743 /nfs/dbraw/zinc/96/57/43/1098965743.db2.gz ZTQJLOIDOBYGPO-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C2 ZINC001178935480 1098965748 /nfs/dbraw/zinc/96/57/48/1098965748.db2.gz ZTQJLOIDOBYGPO-KRWDZBQOSA-N 2 1 316.489 3.407 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235347961 1098971333 /nfs/dbraw/zinc/97/13/33/1098971333.db2.gz BNLNLDKUVXKCPO-LNLFQRSKSA-N 2 1 324.509 3.068 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235364373 1098981379 /nfs/dbraw/zinc/98/13/79/1098981379.db2.gz YABIEVLNVKNPDN-LDNJSWSKSA-N 2 1 322.496 3.452 20 0 DGADMP CCCCc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)s1 ZINC001235365927 1098982180 /nfs/dbraw/zinc/98/21/80/1098982180.db2.gz CIQZFFLVZISINY-HDMKZQKVSA-N 2 1 320.502 3.044 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001235401607 1098996477 /nfs/dbraw/zinc/99/64/77/1098996477.db2.gz HJJNWZCKHOOQOD-RTBURBONSA-N 2 1 313.420 3.001 20 0 DGADMP CCSc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403109 1098998790 /nfs/dbraw/zinc/99/87/90/1098998790.db2.gz ZMORTDLYBFDFFD-IRXDYDNUSA-N 2 1 308.466 3.322 20 0 DGADMP CCSc1ccccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403109 1098998796 /nfs/dbraw/zinc/99/87/96/1098998796.db2.gz ZMORTDLYBFDFFD-IRXDYDNUSA-N 2 1 308.466 3.322 20 0 DGADMP CCSc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403113 1098998930 /nfs/dbraw/zinc/99/89/30/1098998930.db2.gz ZMORTDLYBFDFFD-SJORKVTESA-N 2 1 308.466 3.322 20 0 DGADMP CCSc1ccccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403113 1098998936 /nfs/dbraw/zinc/99/89/36/1098998936.db2.gz ZMORTDLYBFDFFD-SJORKVTESA-N 2 1 308.466 3.322 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)cc21 ZINC001235407728 1099004750 /nfs/dbraw/zinc/00/47/50/1099004750.db2.gz TWGRYWUYETYUEZ-RTBURBONSA-N 2 1 315.436 3.185 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409912 1099005620 /nfs/dbraw/zinc/00/56/20/1099005620.db2.gz XSBPYCDHEMGDEH-NVXWUHKLSA-N 2 1 321.827 3.345 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235409912 1099005632 /nfs/dbraw/zinc/00/56/32/1099005632.db2.gz XSBPYCDHEMGDEH-NVXWUHKLSA-N 2 1 321.827 3.345 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235411313 1099007731 /nfs/dbraw/zinc/00/77/31/1099007731.db2.gz ZLJNJBHTLLQQJN-DLBZAZTESA-N 2 1 310.844 3.480 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235411313 1099007745 /nfs/dbraw/zinc/00/77/45/1099007745.db2.gz ZLJNJBHTLLQQJN-DLBZAZTESA-N 2 1 310.844 3.480 20 0 DGADMP CCOc1cc(O)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235423860 1099016192 /nfs/dbraw/zinc/01/61/92/1099016192.db2.gz GMWHUIXSHNRLJG-SJORKVTESA-N 2 1 318.461 3.003 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC001235427463 1099020741 /nfs/dbraw/zinc/02/07/41/1099020741.db2.gz NHSSSGSQNBXUKS-AEFFLSMTSA-N 2 1 317.477 3.000 20 0 DGADMP Cc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235430284 1099024420 /nfs/dbraw/zinc/02/44/20/1099024420.db2.gz WNOSPIIYWILTLO-HUUCEWRRSA-N 2 1 308.416 3.485 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429835 1099024600 /nfs/dbraw/zinc/02/46/00/1099024600.db2.gz ZYMMAJBQOPYZBK-LSDHHAIUSA-N 2 1 306.425 3.046 20 0 DGADMP COc1c(F)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429834 1099025202 /nfs/dbraw/zinc/02/52/02/1099025202.db2.gz RPFJWINTPBFJPH-GJZGRUSLSA-N 2 1 306.425 3.046 20 0 DGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430164 1099025263 /nfs/dbraw/zinc/02/52/63/1099025263.db2.gz GCNFUAAULWWYET-HOTGVXAUSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430164 1099025276 /nfs/dbraw/zinc/02/52/76/1099025276.db2.gz GCNFUAAULWWYET-HOTGVXAUSA-N 2 1 312.461 3.083 20 0 DGADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235430164 1099025288 /nfs/dbraw/zinc/02/52/88/1099025288.db2.gz GCNFUAAULWWYET-HOTGVXAUSA-N 2 1 312.461 3.083 20 0 DGADMP COc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430456 1099027165 /nfs/dbraw/zinc/02/71/65/1099027165.db2.gz TUWNDNIUFGNDPH-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP CC[C@H]([NH3+])CN1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235560314 1099086244 /nfs/dbraw/zinc/08/62/44/1099086244.db2.gz QDPCEABLVDCIEN-ONIAQPFYSA-N 2 1 321.534 3.018 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1-c1ccncc1)C2 ZINC001235620037 1099100604 /nfs/dbraw/zinc/10/06/04/1099100604.db2.gz HFWIZJYQYUZJBZ-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1-c1ccncc1)C2 ZINC001235620037 1099100605 /nfs/dbraw/zinc/10/06/05/1099100605.db2.gz HFWIZJYQYUZJBZ-UYAOXDASSA-N 2 1 307.441 3.132 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](C)O)C2 ZINC001277959295 1099107082 /nfs/dbraw/zinc/10/70/82/1099107082.db2.gz REZVNFSJVCUURX-GBESFXJTSA-N 2 1 310.526 3.372 20 0 DGADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](C)O)C2 ZINC001277959295 1099107089 /nfs/dbraw/zinc/10/70/89/1099107089.db2.gz REZVNFSJVCUURX-GBESFXJTSA-N 2 1 310.526 3.372 20 0 DGADMP C[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1cccc2ccccc21 ZINC001235663141 1099113160 /nfs/dbraw/zinc/11/31/60/1099113160.db2.gz QZJLVXGWMPWOLX-UHFFFAOYSA-N 2 1 305.425 3.377 20 0 DGADMP c1ccc(O[C@H]2CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)cc1 ZINC001235675358 1099117623 /nfs/dbraw/zinc/11/76/23/1099117623.db2.gz VXZULNXJJBVIHZ-IBGZPJMESA-N 2 1 302.462 3.452 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)cc1 ZINC001235675358 1099117625 /nfs/dbraw/zinc/11/76/25/1099117625.db2.gz VXZULNXJJBVIHZ-IBGZPJMESA-N 2 1 302.462 3.452 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235676118 1099120252 /nfs/dbraw/zinc/12/02/52/1099120252.db2.gz WUYCYLHMSQMFQQ-IBGZPJMESA-N 2 1 308.425 3.252 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235688839 1099128180 /nfs/dbraw/zinc/12/81/80/1099128180.db2.gz TVPDRYKEIIWOEW-MJGOQNOKSA-N 2 1 302.462 3.370 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235688837 1099128619 /nfs/dbraw/zinc/12/86/19/1099128619.db2.gz TVPDRYKEIIWOEW-HKUYNNGSSA-N 2 1 302.462 3.370 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235689679 1099129137 /nfs/dbraw/zinc/12/91/37/1099129137.db2.gz BAIZMEBCZOTJHI-SFHVURJKSA-N 2 1 302.462 3.228 20 0 DGADMP [NH3+]CCCC[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235688842 1099129217 /nfs/dbraw/zinc/12/92/17/1099129217.db2.gz TWBIJAJMCLNQAK-OAHLLOKOSA-N 2 1 316.367 3.288 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235714197 1099141874 /nfs/dbraw/zinc/14/18/74/1099141874.db2.gz IWABATMIDMEPOW-HXUWFJFHSA-N 2 1 308.425 3.081 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(OC(C)(C)C)n1 ZINC001235716418 1099143310 /nfs/dbraw/zinc/14/33/10/1099143310.db2.gz AUQMZMYYFWNBGY-UHFFFAOYSA-N 2 1 305.466 3.080 20 0 DGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(Cl)ccc(F)c1F ZINC001235717708 1099144130 /nfs/dbraw/zinc/14/41/30/1099144130.db2.gz ZNRRORPVLRILRF-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(Cl)ccc(F)c1F ZINC001235717708 1099144140 /nfs/dbraw/zinc/14/41/40/1099144140.db2.gz ZNRRORPVLRILRF-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001235718995 1099145553 /nfs/dbraw/zinc/14/55/53/1099145553.db2.gz PXHJYHBZAAKAAA-FZMZJTMJSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001235718995 1099145557 /nfs/dbraw/zinc/14/55/57/1099145557.db2.gz PXHJYHBZAAKAAA-FZMZJTMJSA-N 2 1 302.796 3.263 20 0 DGADMP CC[NH2+]C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001235724771 1099147370 /nfs/dbraw/zinc/14/73/70/1099147370.db2.gz HVIRQZYRXIHXEL-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235724073 1099147779 /nfs/dbraw/zinc/14/77/79/1099147779.db2.gz GINDXSKTSGZGCS-FQEVSTJZSA-N 2 1 309.457 3.343 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235724073 1099147783 /nfs/dbraw/zinc/14/77/83/1099147783.db2.gz GINDXSKTSGZGCS-FQEVSTJZSA-N 2 1 309.457 3.343 20 0 DGADMP COc1cccc([C@H]2CCCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001235726029 1099148767 /nfs/dbraw/zinc/14/87/67/1099148767.db2.gz LWQBGAAGVZVRSF-FUHWJXTLSA-N 2 1 318.461 3.337 20 0 DGADMP COc1cccc([C@H]2CCCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001235726029 1099148772 /nfs/dbraw/zinc/14/87/72/1099148772.db2.gz LWQBGAAGVZVRSF-FUHWJXTLSA-N 2 1 318.461 3.337 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235726080 1099149447 /nfs/dbraw/zinc/14/94/47/1099149447.db2.gz MMZXEIHRANVJDW-NFAWXSAZSA-N 2 1 312.379 3.106 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235726080 1099149449 /nfs/dbraw/zinc/14/94/49/1099149449.db2.gz MMZXEIHRANVJDW-NFAWXSAZSA-N 2 1 312.379 3.106 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001235750659 1099163125 /nfs/dbraw/zinc/16/31/25/1099163125.db2.gz RFJKOAIZPYJKTJ-OAHLLOKOSA-N 2 1 300.377 3.399 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001235748894 1099163337 /nfs/dbraw/zinc/16/33/37/1099163337.db2.gz FBFIGZQLAALNQN-AWEZNQCLSA-N 2 1 302.368 3.412 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001235748912 1099163408 /nfs/dbraw/zinc/16/34/08/1099163408.db2.gz FHPVODGJWCRCDO-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2Br)C1 ZINC001235748912 1099163415 /nfs/dbraw/zinc/16/34/15/1099163415.db2.gz FHPVODGJWCRCDO-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP c1cc(S[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)ccn1 ZINC001235750305 1099163448 /nfs/dbraw/zinc/16/34/48/1099163448.db2.gz OWGWVEBNSCKLCD-RDJZCZTQSA-N 2 1 305.491 3.170 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001235751034 1099164837 /nfs/dbraw/zinc/16/48/37/1099164837.db2.gz UWHLIYZDAXKXQP-AWEZNQCLSA-N 2 1 300.377 3.399 20 0 DGADMP CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC001235761252 1099168801 /nfs/dbraw/zinc/16/88/01/1099168801.db2.gz RTNOHZNFRBQMSA-HXUWFJFHSA-N 2 1 315.505 3.115 20 0 DGADMP CCc1[nH]c(CN2CC[NH2+]C[C@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC001235811982 1099190614 /nfs/dbraw/zinc/19/06/14/1099190614.db2.gz PKQLVYMJGFFAGW-INIZCTEOSA-N 2 1 318.852 3.080 20 0 DGADMP C[N@H+](Cc1cccc(Oc2ccc(O)cc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001235839835 1099202116 /nfs/dbraw/zinc/20/21/16/1099202116.db2.gz AQGZAFHSTRXBFM-MRXNPFEDSA-N 2 1 312.413 3.226 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC001235840666 1099203027 /nfs/dbraw/zinc/20/30/27/1099203027.db2.gz SJCNUFLQQIEHIO-SWLSCSKDSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001235840666 1099203033 /nfs/dbraw/zinc/20/30/33/1099203033.db2.gz SJCNUFLQQIEHIO-SWLSCSKDSA-N 2 1 316.823 3.305 20 0 DGADMP Cc1c(Br)ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1C ZINC001235840881 1099204266 /nfs/dbraw/zinc/20/42/66/1099204266.db2.gz CICLBZPNEZXLNI-CYBMUJFWSA-N 2 1 311.267 3.107 20 0 DGADMP CCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1Cl ZINC001235841279 1099204907 /nfs/dbraw/zinc/20/49/07/1099204907.db2.gz CSRXCRBBBUCYQY-NSHDSACASA-N 2 1 317.260 3.433 20 0 DGADMP CCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1Cl ZINC001235841279 1099204919 /nfs/dbraw/zinc/20/49/19/1099204919.db2.gz CSRXCRBBBUCYQY-NSHDSACASA-N 2 1 317.260 3.433 20 0 DGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c(C)cc1Br ZINC001235842199 1099205547 /nfs/dbraw/zinc/20/55/47/1099205547.db2.gz MPJMITQVURIZRY-CYBMUJFWSA-N 2 1 311.267 3.107 20 0 DGADMP COc1ccccc1CC[N@@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235842616 1099207356 /nfs/dbraw/zinc/20/73/56/1099207356.db2.gz PUJCTZXOWXEGHM-UHFFFAOYSA-N 2 1 316.470 3.077 20 0 DGADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235866114 1099227372 /nfs/dbraw/zinc/22/73/72/1099227372.db2.gz HBMGIDRCCJSAEY-SQGPQFPESA-N 2 1 316.489 3.381 20 0 DGADMP C[C@H]1C[N@@H+](CC2(F)CC[NH2+]CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235868426 1099227708 /nfs/dbraw/zinc/22/77/08/1099227708.db2.gz YXAXVXMQRZHBEU-MAUKXSAKSA-N 2 1 320.452 3.083 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890782 1099236163 /nfs/dbraw/zinc/23/61/63/1099236163.db2.gz CATYETWXXDKPCH-JSGCOSHPSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001235890782 1099236167 /nfs/dbraw/zinc/23/61/67/1099236167.db2.gz CATYETWXXDKPCH-JSGCOSHPSA-N 2 1 300.368 3.450 20 0 DGADMP FC(F)(F)Sc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235934129 1099268671 /nfs/dbraw/zinc/26/86/71/1099268671.db2.gz BIHZCLYXRZPXLB-QWHCGFSZSA-N 2 1 316.392 3.340 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235935831 1099270221 /nfs/dbraw/zinc/27/02/21/1099270221.db2.gz FEKKKLYHNZNNAF-GJZGRUSLSA-N 2 1 308.853 3.169 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235935831 1099270225 /nfs/dbraw/zinc/27/02/25/1099270225.db2.gz FEKKKLYHNZNNAF-GJZGRUSLSA-N 2 1 308.853 3.169 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235935443 1099270237 /nfs/dbraw/zinc/27/02/37/1099270237.db2.gz DPIYMJOAZDCMDX-ZYHUDNBSSA-N 2 1 318.770 3.400 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235935443 1099270242 /nfs/dbraw/zinc/27/02/42/1099270242.db2.gz DPIYMJOAZDCMDX-ZYHUDNBSSA-N 2 1 318.770 3.400 20 0 DGADMP COCCC[N@@H+](CCCc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001235937404 1099272212 /nfs/dbraw/zinc/27/22/12/1099272212.db2.gz LWDGRLBFTXVEIA-UHFFFAOYSA-N 2 1 324.896 3.363 20 0 DGADMP COCCC[N@@H+](Cc1cccc2sccc21)C1CC[NH2+]CC1 ZINC001235940422 1099275286 /nfs/dbraw/zinc/27/52/86/1099275286.db2.gz RLNNHWMJLBTTAT-UHFFFAOYSA-N 2 1 318.486 3.492 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235943877 1099277384 /nfs/dbraw/zinc/27/73/84/1099277384.db2.gz ZQAXZXHOCCZSBN-GJZGRUSLSA-N 2 1 315.848 3.172 20 0 DGADMP C[C@H]([NH3+])CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947773 1099281534 /nfs/dbraw/zinc/28/15/34/1099281534.db2.gz FUCFKTVEZRQNJB-GHTZIAJQSA-N 2 1 323.484 3.110 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccc(O)cc2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235957619 1099288239 /nfs/dbraw/zinc/28/82/39/1099288239.db2.gz QQYHYMIULBCOIO-QGZVFWFLSA-N 2 1 310.441 3.491 20 0 DGADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235962229 1099294067 /nfs/dbraw/zinc/29/40/67/1099294067.db2.gz IRQRQHMPULBPOM-ZSHCYNCHSA-N 2 1 323.278 3.127 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c1CCN2 ZINC001235971865 1099301206 /nfs/dbraw/zinc/30/12/06/1099301206.db2.gz BJLOKZMIUAHRRQ-ZWKOTPCHSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001235971865 1099301215 /nfs/dbraw/zinc/30/12/15/1099301215.db2.gz BJLOKZMIUAHRRQ-ZWKOTPCHSA-N 2 1 313.489 3.493 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2c1CCN2 ZINC001235971865 1099301225 /nfs/dbraw/zinc/30/12/25/1099301225.db2.gz BJLOKZMIUAHRRQ-ZWKOTPCHSA-N 2 1 313.489 3.493 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974423 1099304118 /nfs/dbraw/zinc/30/41/18/1099304118.db2.gz QZWPQPXRSSIQAP-VQTJNVASSA-N 3 1 313.489 3.129 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974423 1099304129 /nfs/dbraw/zinc/30/41/29/1099304129.db2.gz QZWPQPXRSSIQAP-VQTJNVASSA-N 3 1 313.489 3.129 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974423 1099304137 /nfs/dbraw/zinc/30/41/37/1099304137.db2.gz QZWPQPXRSSIQAP-VQTJNVASSA-N 3 1 313.489 3.129 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974423 1099304148 /nfs/dbraw/zinc/30/41/48/1099304148.db2.gz QZWPQPXRSSIQAP-VQTJNVASSA-N 2 1 313.489 3.129 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235974423 1099304160 /nfs/dbraw/zinc/30/41/60/1099304160.db2.gz QZWPQPXRSSIQAP-VQTJNVASSA-N 2 1 313.489 3.129 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991774 1099315170 /nfs/dbraw/zinc/31/51/70/1099315170.db2.gz HRCFTXBNRUZVGR-LQULJDIASA-N 2 1 304.400 3.081 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991774 1099315182 /nfs/dbraw/zinc/31/51/82/1099315182.db2.gz HRCFTXBNRUZVGR-LQULJDIASA-N 2 1 304.400 3.081 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235992204 1099316409 /nfs/dbraw/zinc/31/64/09/1099316409.db2.gz MNBARPNVKOBHLV-XLIONFOSSA-N 2 1 308.425 3.285 20 0 DGADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235992204 1099316423 /nfs/dbraw/zinc/31/64/23/1099316423.db2.gz MNBARPNVKOBHLV-XLIONFOSSA-N 2 1 308.425 3.285 20 0 DGADMP c1ccc(C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C2CC2)cc1 ZINC001235994622 1099317203 /nfs/dbraw/zinc/31/72/03/1099317203.db2.gz SXJHOQLMARCTIX-UHFFFAOYSA-N 2 1 321.468 3.261 20 0 DGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235997114 1099320567 /nfs/dbraw/zinc/32/05/67/1099320567.db2.gz FKZWSAPYIZMJSY-HTZLVSCSSA-N 2 1 322.452 3.068 20 0 DGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997489 1099321054 /nfs/dbraw/zinc/32/10/54/1099321054.db2.gz YPQAKHOHRPSCAW-LEWJYISDSA-N 2 1 306.453 3.395 20 0 DGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997489 1099321064 /nfs/dbraw/zinc/32/10/64/1099321064.db2.gz YPQAKHOHRPSCAW-LEWJYISDSA-N 2 1 306.453 3.395 20 0 DGADMP CCCOc1cc(F)ccc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236007218 1099329527 /nfs/dbraw/zinc/32/95/27/1099329527.db2.gz UOLXWXRMCSXULN-UHFFFAOYSA-N 2 1 306.425 3.190 20 0 DGADMP c1cc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccc2o1 ZINC001236012831 1099334718 /nfs/dbraw/zinc/33/47/18/1099334718.db2.gz RYCDAZYOEALMPL-CTNGQTDRSA-N 2 1 318.420 3.406 20 0 DGADMP c1cc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccc2o1 ZINC001236012831 1099334732 /nfs/dbraw/zinc/33/47/32/1099334732.db2.gz RYCDAZYOEALMPL-CTNGQTDRSA-N 2 1 318.420 3.406 20 0 DGADMP CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012731 1099335661 /nfs/dbraw/zinc/33/56/61/1099335661.db2.gz OZYVGVMRIMESDB-CTNGQTDRSA-N 2 1 322.452 3.058 20 0 DGADMP CCOc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012731 1099335670 /nfs/dbraw/zinc/33/56/70/1099335670.db2.gz OZYVGVMRIMESDB-CTNGQTDRSA-N 2 1 322.452 3.058 20 0 DGADMP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1C ZINC001236011913 1099336151 /nfs/dbraw/zinc/33/61/51/1099336151.db2.gz DOZHIZODBSUSFL-RTWAWAEBSA-N 2 1 306.453 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044406 1099345755 /nfs/dbraw/zinc/34/57/55/1099345755.db2.gz LSSPCVHPJQTJKN-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001236044406 1099345767 /nfs/dbraw/zinc/34/57/67/1099345767.db2.gz LSSPCVHPJQTJKN-DOMZBBRYSA-N 2 1 300.368 3.307 20 0 DGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC001204263932 1099353070 /nfs/dbraw/zinc/35/30/70/1099353070.db2.gz PNMJBABPQYIJPO-SFHVURJKSA-N 2 1 308.441 3.341 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001236068431 1099367571 /nfs/dbraw/zinc/36/75/71/1099367571.db2.gz SOYFMQDCVDZCFM-MRXNPFEDSA-N 2 1 312.413 3.226 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001236068431 1099367580 /nfs/dbraw/zinc/36/75/80/1099367580.db2.gz SOYFMQDCVDZCFM-MRXNPFEDSA-N 2 1 312.413 3.226 20 0 DGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369506 1099398784 /nfs/dbraw/zinc/39/87/84/1099398784.db2.gz JLIOFENUHKTFGX-UHFFFAOYSA-N 2 1 313.530 3.173 20 0 DGADMP CCCC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3C)cc2)CC[NH2+]1 ZINC001236137440 1099423224 /nfs/dbraw/zinc/42/32/24/1099423224.db2.gz BYWJOKCIBYAABY-SFHVURJKSA-N 2 1 312.461 3.145 20 0 DGADMP Clc1ccc([C@H]2COCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001236182957 1099452400 /nfs/dbraw/zinc/45/24/00/1099452400.db2.gz SRXJECPBWASXBA-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP Clc1ccc([C@H]2COCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001236182957 1099452411 /nfs/dbraw/zinc/45/24/11/1099452411.db2.gz SRXJECPBWASXBA-QGZVFWFLSA-N 2 1 308.853 3.103 20 0 DGADMP c1cc2c(cccc2N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)s1 ZINC001236182623 1099453016 /nfs/dbraw/zinc/45/30/16/1099453016.db2.gz PYFVRUMZWJKCFN-HNNXBMFYSA-N 2 1 315.486 3.023 20 0 DGADMP CCOc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)cc1OCC ZINC001236213886 1099469832 /nfs/dbraw/zinc/46/98/32/1099469832.db2.gz XUWPALZPSUIEIX-UHFFFAOYSA-N 2 1 320.477 3.446 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236215215 1099470260 /nfs/dbraw/zinc/47/02/60/1099470260.db2.gz KXSBWCTXPPPNJN-UHFFFAOYSA-N 2 1 306.425 3.113 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236216309 1099472510 /nfs/dbraw/zinc/47/25/10/1099472510.db2.gz XZVYWJQQDZARKK-UHFFFAOYSA-N 2 1 312.404 3.326 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215079 1099472678 /nfs/dbraw/zinc/47/26/78/1099472678.db2.gz HFUONXAJTKGSGZ-DOTOQJQBSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215079 1099472683 /nfs/dbraw/zinc/47/26/83/1099472683.db2.gz HFUONXAJTKGSGZ-DOTOQJQBSA-N 2 1 318.852 3.227 20 0 DGADMP C[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216411 1099472774 /nfs/dbraw/zinc/47/27/74/1099472774.db2.gz KJWUIXSHJHWYQQ-WBVHZDCISA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216411 1099472776 /nfs/dbraw/zinc/47/27/76/1099472776.db2.gz KJWUIXSHJHWYQQ-WBVHZDCISA-N 2 1 318.852 3.227 20 0 DGADMP Fc1ccc(S[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001236221110 1099480082 /nfs/dbraw/zinc/48/00/82/1099480082.db2.gz BXRQXJUFNBZQHS-KRWDZBQOSA-N 2 1 308.466 3.382 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236224768 1099481450 /nfs/dbraw/zinc/48/14/50/1099481450.db2.gz WKZKWKCRCKRMPM-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236224768 1099481458 /nfs/dbraw/zinc/48/14/58/1099481458.db2.gz WKZKWKCRCKRMPM-UHFFFAOYSA-N 2 1 304.331 3.418 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224912 1099481536 /nfs/dbraw/zinc/48/15/36/1099481536.db2.gz YOAUBKGCYIRUHP-SHTZXODSSA-N 2 1 311.267 3.459 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236225046 1099482310 /nfs/dbraw/zinc/48/23/10/1099482310.db2.gz ZGQJYQOFLRKEHI-QAQDUYKDSA-N 2 1 302.462 3.492 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227724 1099484187 /nfs/dbraw/zinc/48/41/87/1099484187.db2.gz KVDCWXKPNVASSV-UHFFFAOYSA-N 3 1 317.521 3.346 20 0 DGADMP CN(C)CC(C)(C)C[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227724 1099484194 /nfs/dbraw/zinc/48/41/94/1099484194.db2.gz KVDCWXKPNVASSV-UHFFFAOYSA-N 2 1 317.521 3.346 20 0 DGADMP CN(C)CC(C)(C)C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227724 1099484199 /nfs/dbraw/zinc/48/41/99/1099484199.db2.gz KVDCWXKPNVASSV-UHFFFAOYSA-N 2 1 317.521 3.346 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001236230408 1099485800 /nfs/dbraw/zinc/48/58/00/1099485800.db2.gz LFYHOFGRPLJHQP-JKSUJKDBSA-N 2 1 320.502 3.394 20 0 DGADMP c1ccc(COc2ccc(C[NH+]3CCC[NH2+]CCC3)cc2)cc1 ZINC001236239552 1099493495 /nfs/dbraw/zinc/49/34/95/1099493495.db2.gz FSTSCOSDONRXCR-UHFFFAOYSA-N 2 1 310.441 3.451 20 0 DGADMP Clc1ccc(-n2cccc2C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236240645 1099495031 /nfs/dbraw/zinc/49/50/31/1099495031.db2.gz ROQQJMKCZPDCPT-UHFFFAOYSA-N 2 1 303.837 3.316 20 0 DGADMP Nc1c(F)cccc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236304116 1099524631 /nfs/dbraw/zinc/52/46/31/1099524631.db2.gz HMLWOPSFWRINIU-UHFFFAOYSA-N 2 1 313.420 3.162 20 0 DGADMP Nc1c(F)cccc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236304116 1099524642 /nfs/dbraw/zinc/52/46/42/1099524642.db2.gz HMLWOPSFWRINIU-UHFFFAOYSA-N 2 1 313.420 3.162 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236304653 1099525220 /nfs/dbraw/zinc/52/52/20/1099525220.db2.gz NDKVIAMUIXLQKS-RTBURBONSA-N 2 1 316.489 3.482 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314295 1099528379 /nfs/dbraw/zinc/52/83/79/1099528379.db2.gz AOPBOINKNSHYTD-OKILXGFUSA-N 2 1 323.278 3.189 20 0 DGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC001236315826 1099530306 /nfs/dbraw/zinc/53/03/06/1099530306.db2.gz OFSWGTPKSOJBST-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2n1 ZINC001236320828 1099533128 /nfs/dbraw/zinc/53/31/28/1099533128.db2.gz KGFBLEHZADTMLS-IYBDPMFKSA-N 2 1 315.848 3.320 20 0 DGADMP c1cncc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001236320986 1099534057 /nfs/dbraw/zinc/53/40/57/1099534057.db2.gz UZYNYYBYPODSRP-BGYRXZFFSA-N 2 1 307.441 3.180 20 0 DGADMP Oc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001236321323 1099534735 /nfs/dbraw/zinc/53/47/35/1099534735.db2.gz PXVDBDCMDIYODH-BGYRXZFFSA-N 2 1 322.452 3.491 20 0 DGADMP COc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373435 1099556831 /nfs/dbraw/zinc/55/68/31/1099556831.db2.gz HZIFNIGNHZNWJJ-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP c1[nH]nc2cccc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c12 ZINC001236376977 1099563528 /nfs/dbraw/zinc/56/35/28/1099563528.db2.gz WZPDNYTVQIYMRB-OAHLLOKOSA-N 2 1 312.461 3.307 20 0 DGADMP Cc1cc(O)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236377149 1099563704 /nfs/dbraw/zinc/56/37/04/1099563704.db2.gz YENGJOSKVPYZBO-MRXNPFEDSA-N 2 1 302.462 3.445 20 0 DGADMP CC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236407483 1099581370 /nfs/dbraw/zinc/58/13/70/1099581370.db2.gz GCCMMRDBSLQSKY-ZDUSSCGKSA-N 2 1 300.368 3.445 20 0 DGADMP CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236408048 1099582838 /nfs/dbraw/zinc/58/28/38/1099582838.db2.gz KLKAXEXWNFSFFE-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP CC[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409765 1099584408 /nfs/dbraw/zinc/58/44/08/1099584408.db2.gz VYYPAGOCSUNLML-CYBMUJFWSA-N 2 1 302.340 3.017 20 0 DGADMP COc1ccc(C2=CC[N@@H+](Cc3ccc(C[NH3+])cc3)CC2)cc1 ZINC001236411195 1099585601 /nfs/dbraw/zinc/58/56/01/1099585601.db2.gz LPKHOXGQYSPBIG-UHFFFAOYSA-N 2 1 308.425 3.443 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(-c2ccc(C[NH2+]CC(C)C)cc2)n1 ZINC001236428597 1099604824 /nfs/dbraw/zinc/60/48/24/1099604824.db2.gz QQSPMJYWCUESIF-UHFFFAOYSA-N 2 1 321.428 3.383 20 0 DGADMP O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001236433833 1099608784 /nfs/dbraw/zinc/60/87/84/1099608784.db2.gz KTLVDNHBTLPNFV-HXUWFJFHSA-N 2 1 320.436 3.037 20 0 DGADMP COc1ccc(C[N@@H+](CCc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236439400 1099613375 /nfs/dbraw/zinc/61/33/75/1099613375.db2.gz FKIBHLIDPVMIFE-UHFFFAOYSA-N 2 1 324.468 3.492 20 0 DGADMP Cc1cccc2ncc(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)n21 ZINC001236458188 1099622664 /nfs/dbraw/zinc/62/26/64/1099622664.db2.gz SFOVIFIBTPFFBT-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP Cc1cccc2ncc(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)n21 ZINC001236458188 1099622669 /nfs/dbraw/zinc/62/26/69/1099622669.db2.gz SFOVIFIBTPFFBT-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP CCOCC[N@@H+](CCCc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236461534 1099624816 /nfs/dbraw/zinc/62/48/16/1099624816.db2.gz ZRIWMNNCZJGZHG-UHFFFAOYSA-N 2 1 324.896 3.363 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCOc2ccccc2)CC2CCC2)CC1 ZINC001236539858 1099671139 /nfs/dbraw/zinc/67/11/39/1099671139.db2.gz BYLBSSPSOKIGQO-IYARVYRRSA-N 2 1 302.462 3.437 20 0 DGADMP Nc1ccnc(Cl)c1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541711 1099672411 /nfs/dbraw/zinc/67/24/11/1099672411.db2.gz JMBRAPHFYNGLDV-HDJSIYSDSA-N 2 1 322.884 3.189 20 0 DGADMP CC(C)C[N@@H+](CCOCc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553437 1099677290 /nfs/dbraw/zinc/67/72/90/1099677290.db2.gz ZZOIWFVXMAGGLG-WGSAOQKQSA-N 2 1 304.478 3.431 20 0 DGADMP Nc1ncccc1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565805 1099680674 /nfs/dbraw/zinc/68/06/74/1099680674.db2.gz NNOSTORULYDCLA-JCNLHEQBSA-N 2 1 302.466 3.068 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC3(C2)CC[NH2+]CC3)C2CCCC2)CC1 ZINC001236567549 1099681933 /nfs/dbraw/zinc/68/19/33/1099681933.db2.gz YKGWAIISFRQERD-UAPYVXQJSA-N 3 1 319.537 3.281 20 0 DGADMP Nc1ccc(Cl)nc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236570883 1099683332 /nfs/dbraw/zinc/68/33/32/1099683332.db2.gz DDLBZCZNRDKVHY-MQMHXKEQSA-N 2 1 322.884 3.332 20 0 DGADMP CCc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(CC)c1O ZINC001236599811 1099694731 /nfs/dbraw/zinc/69/47/31/1099694731.db2.gz DSPHMFILZBPACU-HNNXBMFYSA-N 2 1 316.489 3.481 20 0 DGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599204 1099694795 /nfs/dbraw/zinc/69/47/95/1099694795.db2.gz AAAMFQNITNITTF-LBPRGKRZSA-N 2 1 318.852 3.180 20 0 DGADMP Clc1ccc2c(c1)n[nH]c2C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599204 1099694799 /nfs/dbraw/zinc/69/47/99/1099694799.db2.gz AAAMFQNITNITTF-LBPRGKRZSA-N 2 1 318.852 3.180 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236598565 1099695042 /nfs/dbraw/zinc/69/50/42/1099695042.db2.gz LANKQMDKUFNQBS-MRXNPFEDSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236598565 1099695047 /nfs/dbraw/zinc/69/50/47/1099695047.db2.gz LANKQMDKUFNQBS-MRXNPFEDSA-N 2 1 302.462 3.438 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(N2CCCC2)c1 ZINC001236599238 1099695065 /nfs/dbraw/zinc/69/50/65/1099695065.db2.gz APELUMVOMUKIGI-SFHVURJKSA-N 2 1 313.489 3.251 20 0 DGADMP CCCOc1ccccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599021 1099695691 /nfs/dbraw/zinc/69/56/91/1099695691.db2.gz OIHRAYJBMAXGKE-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP CCCOc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599021 1099695696 /nfs/dbraw/zinc/69/56/96/1099695696.db2.gz OIHRAYJBMAXGKE-INIZCTEOSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cc(Cl)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236601624 1099697299 /nfs/dbraw/zinc/69/72/99/1099697299.db2.gz NVBXWWJIMUNBBN-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cc(Cl)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236601624 1099697302 /nfs/dbraw/zinc/69/73/02/1099697302.db2.gz NVBXWWJIMUNBBN-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP CCOc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1C ZINC001236601270 1099697522 /nfs/dbraw/zinc/69/75/22/1099697522.db2.gz MIYOWSHHAJQDAU-KRWDZBQOSA-N 2 1 302.462 3.358 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC001236604871 1099699317 /nfs/dbraw/zinc/69/93/17/1099699317.db2.gz IHQQHZWIAAVEAI-SFHVURJKSA-N 2 1 320.502 3.175 20 0 DGADMP COc1cccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001236606398 1099700907 /nfs/dbraw/zinc/70/09/07/1099700907.db2.gz UKTNXEJSASANLB-QAPCUYQASA-N 2 1 320.502 3.175 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CNCCO1 ZINC001236661755 1099730878 /nfs/dbraw/zinc/73/08/78/1099730878.db2.gz GEBRQCJIPQXHCE-RBUKOAKNSA-N 2 1 304.478 3.098 20 0 DGADMP CC1(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001236682730 1099741012 /nfs/dbraw/zinc/74/10/12/1099741012.db2.gz YEAKGUBSHPEYEY-WGSAOQKQSA-N 3 1 315.505 3.148 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)c1OC(C)C ZINC001236829923 1099814355 /nfs/dbraw/zinc/81/43/55/1099814355.db2.gz LRHAQNDXNSVTQK-OKZBNKHCSA-N 2 1 302.462 3.260 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@@H]12 ZINC001236832357 1099817328 /nfs/dbraw/zinc/81/73/28/1099817328.db2.gz VDYYOSMUPDEDEB-MISYRCLQSA-N 2 1 308.425 3.228 20 0 DGADMP CCC[N@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236834843 1099819841 /nfs/dbraw/zinc/81/98/41/1099819841.db2.gz ISRQWWKUZFJWGG-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP CCC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236833761 1099820662 /nfs/dbraw/zinc/82/06/62/1099820662.db2.gz CEMRINJNKZYVFD-QGZVFWFLSA-N 2 1 304.478 3.442 20 0 DGADMP CCC[N@@H+](Cc1cc2ccccc2nc1OC)C[C@H]1CC[NH2+]C1 ZINC001236836577 1099824476 /nfs/dbraw/zinc/82/44/76/1099824476.db2.gz YBEPVUNDASULQO-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP CCC[N@H+](Cc1cc2ccccc2nc1OC)C[C@H]1CC[NH2+]C1 ZINC001236836577 1099824482 /nfs/dbraw/zinc/82/44/82/1099824482.db2.gz YBEPVUNDASULQO-HNNXBMFYSA-N 2 1 313.445 3.065 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)c2)CC1 ZINC001236888224 1099851949 /nfs/dbraw/zinc/85/19/49/1099851949.db2.gz AAHWUEYCOSAYGM-ICSRJNTNSA-N 2 1 313.489 3.203 20 0 DGADMP CC(C)[N@@H+](CCCO)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236913938 1099872733 /nfs/dbraw/zinc/87/27/33/1099872733.db2.gz IWENSEJOECZDJA-UHFFFAOYSA-N 2 1 307.825 3.119 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001236913266 1099873315 /nfs/dbraw/zinc/87/33/15/1099873315.db2.gz JTYUNYSVHNEXMP-KRWDZBQOSA-N 2 1 317.820 3.138 20 0 DGADMP C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236913248 1099874784 /nfs/dbraw/zinc/87/47/84/1099874784.db2.gz JODXQQNFAVCSKT-QGZVFWFLSA-N 2 1 319.836 3.263 20 0 DGADMP C[C@@H]1CN(Cc2ccc(-n3ccnc3)c(Cl)c2)C[C@H](C)[N@@H+]1C ZINC001236914541 1099875006 /nfs/dbraw/zinc/87/50/06/1099875006.db2.gz QXYLWVFBOXFWJV-OKILXGFUSA-N 2 1 318.852 3.050 20 0 DGADMP CCC[NH+](CCC)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236959297 1099891873 /nfs/dbraw/zinc/89/18/73/1099891873.db2.gz ACMRWNQELSJSFI-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CC(C)[N@H+](Cc1ccc(F)c(N2CCN(C)CC2)c1)CC1CC1 ZINC001236965163 1099893181 /nfs/dbraw/zinc/89/31/81/1099893181.db2.gz XCXUHBIYSFDCQL-UHFFFAOYSA-N 2 1 319.468 3.198 20 0 DGADMP CC(C)[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC1CC1 ZINC001236965163 1099893187 /nfs/dbraw/zinc/89/31/87/1099893187.db2.gz XCXUHBIYSFDCQL-UHFFFAOYSA-N 2 1 319.468 3.198 20 0 DGADMP CC(C)[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)CC1CC1 ZINC001236965163 1099893199 /nfs/dbraw/zinc/89/31/99/1099893199.db2.gz XCXUHBIYSFDCQL-UHFFFAOYSA-N 2 1 319.468 3.198 20 0 DGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@H](C)CN1Cc1ccccc1 ZINC001237000136 1099920250 /nfs/dbraw/zinc/92/02/50/1099920250.db2.gz PYFNYOVUNPADAD-QZTJIDSGSA-N 2 1 303.494 3.100 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccccc3OC(C)(C)C)C[C@H]2C1 ZINC001237027302 1099932616 /nfs/dbraw/zinc/93/26/16/1099932616.db2.gz HMORHSADBGLDQS-CALCHBBNSA-N 2 1 302.462 3.247 20 0 DGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC1(F)CC[NH2+]CC1 ZINC001237042484 1099940342 /nfs/dbraw/zinc/94/03/42/1099940342.db2.gz MTGYUDYMLZEIMH-UHFFFAOYSA-N 2 1 320.330 3.109 20 0 DGADMP C[C@]1(C[NH3+])CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001237059260 1099950622 /nfs/dbraw/zinc/95/06/22/1099950622.db2.gz SBGGLDQZXPWJOV-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1C(F)(F)F ZINC001237060278 1099952364 /nfs/dbraw/zinc/95/23/64/1099952364.db2.gz ZECSOCAHOLBBPP-HNNXBMFYSA-N 2 1 316.367 3.275 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1C(F)(F)F ZINC001237060278 1099952374 /nfs/dbraw/zinc/95/23/74/1099952374.db2.gz ZECSOCAHOLBBPP-HNNXBMFYSA-N 2 1 316.367 3.275 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC001278056210 1099985160 /nfs/dbraw/zinc/98/51/60/1099985160.db2.gz WCNASYTXFLOKNG-UFYCRDLUSA-N 2 1 321.553 3.447 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001237188526 1100023651 /nfs/dbraw/zinc/02/36/51/1100023651.db2.gz PVEVCULOKJXVDP-OXQOHEQNSA-N 2 1 316.464 3.495 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1C(F)F ZINC001237272233 1100055067 /nfs/dbraw/zinc/05/50/67/1100055067.db2.gz DCNBPATUFIGLON-UHFFFAOYSA-N 2 1 312.404 3.406 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)CC1 ZINC001237369625 1100097231 /nfs/dbraw/zinc/09/72/31/1100097231.db2.gz XOPHENJPTALSTK-UHFFFAOYSA-N 2 1 311.429 3.259 20 0 DGADMP c1cc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)ccn1 ZINC001237389576 1100105234 /nfs/dbraw/zinc/10/52/34/1100105234.db2.gz GRVKPZONLZJVSP-VQTJNVASSA-N 2 1 307.441 3.323 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1CC ZINC001237392548 1100106943 /nfs/dbraw/zinc/10/69/43/1100106943.db2.gz NPQDDGGYDQSVEE-ROUUACIJSA-N 2 1 302.462 3.222 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1CC ZINC001237392548 1100106947 /nfs/dbraw/zinc/10/69/47/1100106947.db2.gz NPQDDGGYDQSVEE-ROUUACIJSA-N 2 1 302.462 3.222 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237401635 1100111148 /nfs/dbraw/zinc/11/11/48/1100111148.db2.gz DVIDFJCFHOPNAW-GOEBONIOSA-N 2 1 313.470 3.384 20 0 DGADMP c1cc(-c2ccccn2)sc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237401635 1100111154 /nfs/dbraw/zinc/11/11/54/1100111154.db2.gz DVIDFJCFHOPNAW-GOEBONIOSA-N 2 1 313.470 3.384 20 0 DGADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001237408319 1100116171 /nfs/dbraw/zinc/11/61/71/1100116171.db2.gz AHQXKPRMAJLPAV-GJZGRUSLSA-N 2 1 307.869 3.122 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)n2)cc1 ZINC001237413124 1100117341 /nfs/dbraw/zinc/11/73/41/1100117341.db2.gz JHXCQOMDXZYRTI-PKOBYXMFSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)n2)cc1 ZINC001237413124 1100117350 /nfs/dbraw/zinc/11/73/50/1100117350.db2.gz JHXCQOMDXZYRTI-PKOBYXMFSA-N 2 1 307.441 3.323 20 0 DGADMP Cc1c(Cl)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001237731733 1100229221 /nfs/dbraw/zinc/22/92/21/1100229221.db2.gz STKISQAXZWQLQM-UHFFFAOYSA-N 2 1 301.821 3.366 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ncc(C)cn3)CC2)CC1 ZINC001237808394 1100253736 /nfs/dbraw/zinc/25/37/36/1100253736.db2.gz VRWDJNPAEKMWGC-UHFFFAOYSA-N 2 1 316.493 3.119 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOC[C@@H](C)C3)cc21 ZINC001237880653 1100277845 /nfs/dbraw/zinc/27/78/45/1100277845.db2.gz HYHWKEWJNHSVPX-HNNXBMFYSA-N 2 1 300.446 3.156 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@](C)(O)[C@@H](C)C3)cc21 ZINC001237880983 1100279661 /nfs/dbraw/zinc/27/96/61/1100279661.db2.gz LWTWNPAOCCWXHY-YWZLYKJASA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCO[C@H](C)C3)cc21 ZINC001237881488 1100279959 /nfs/dbraw/zinc/27/99/59/1100279959.db2.gz UBMCILZPBOVKKZ-OAHLLOKOSA-N 2 1 300.446 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)cc21 ZINC001237887713 1100282719 /nfs/dbraw/zinc/28/27/19/1100282719.db2.gz XGNAQAZPKPHMMD-IEBWSBKVSA-N 2 1 312.457 3.299 20 0 DGADMP Cc1ccc(O)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001238106286 1100362853 /nfs/dbraw/zinc/36/28/53/1100362853.db2.gz IOIDPTBFESVYAA-WOJBJXKFSA-N 2 1 322.452 3.264 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001205546143 1100375651 /nfs/dbraw/zinc/37/56/51/1100375651.db2.gz QSXDEACQRPILDS-CQSZACIVSA-N 2 1 304.331 3.358 20 0 DGADMP COCC[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CCN(C)CC1 ZINC001238500606 1100461172 /nfs/dbraw/zinc/46/11/72/1100461172.db2.gz GQXKWSVDCRGOFM-UHFFFAOYSA-N 2 1 320.452 3.246 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001238765905 1100521493 /nfs/dbraw/zinc/52/14/93/1100521493.db2.gz GOFYJDDILMNKNV-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205590975 1100596887 /nfs/dbraw/zinc/59/68/87/1100596887.db2.gz AAOZTDLVIITNCF-QGZVFWFLSA-N 2 1 312.404 3.267 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2cnn(CC[NH+](CC)CC)c2)c1 ZINC001239208322 1100597596 /nfs/dbraw/zinc/59/75/96/1100597596.db2.gz JNAAHBRCVZRMAN-UHFFFAOYSA-N 2 1 314.433 3.254 20 0 DGADMP Cn1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c2ccccc21 ZINC001239531170 1100684021 /nfs/dbraw/zinc/68/40/21/1100684021.db2.gz NVICTCYDKOMFFX-UHFFFAOYSA-N 2 1 302.381 3.180 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)CC[C@@H]1C[NH3+] ZINC001205618526 1100692064 /nfs/dbraw/zinc/69/20/64/1100692064.db2.gz WWOKUVSGINERKX-GHMZBOCLSA-N 2 1 302.249 3.195 20 0 DGADMP COc1c(F)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205626968 1100725672 /nfs/dbraw/zinc/72/56/72/1100725672.db2.gz LAGGTMMLZMVCHJ-YPMHNXCESA-N 2 1 314.832 3.295 20 0 DGADMP c1ccc(C[N@H+]2CCC=C(c3ccc4c(n3)CC[NH2+]C4)C2)cc1 ZINC001240384671 1100969281 /nfs/dbraw/zinc/96/92/81/1100969281.db2.gz FSBJLWQFHSOADK-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP [NH3+][C@H]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc21 ZINC001240477916 1101015844 /nfs/dbraw/zinc/01/58/44/1101015844.db2.gz BGRONALPBFCUKQ-FQEVSTJZSA-N 2 1 308.425 3.132 20 0 DGADMP CCOC(=[NH2+])c1ccc(-c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001240855701 1101159798 /nfs/dbraw/zinc/15/97/98/1101159798.db2.gz RXNQDDRDWORKKZ-UHFFFAOYSA-N 2 1 323.440 3.467 20 0 DGADMP c1[nH+]cn2c1cccc2-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001240861191 1101162511 /nfs/dbraw/zinc/16/25/11/1101162511.db2.gz OUSVFSZMFHSHKN-UHFFFAOYSA-N 2 1 319.408 3.323 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc4cccnc43)cn12 ZINC001240893505 1101171144 /nfs/dbraw/zinc/17/11/44/1101171144.db2.gz PAKJIAXYMNMDRL-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP CCCCOc1ccccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001241022582 1101223718 /nfs/dbraw/zinc/22/37/18/1101223718.db2.gz VRBHWSWFQSDALT-UHFFFAOYSA-N 2 1 311.429 3.337 20 0 DGADMP CC(=O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001196546201 1101336670 /nfs/dbraw/zinc/33/66/70/1101336670.db2.gz WTGBDOOKOHCIHT-LJQANCHMSA-N 2 1 314.473 3.198 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4ncccc4c3)cn12 ZINC001241398325 1101432218 /nfs/dbraw/zinc/43/22/18/1101432218.db2.gz FAUMBUCLEPYQJW-UHFFFAOYSA-N 2 1 300.365 3.236 20 0 DGADMP [NH3+]C1(c2ccccc2-c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001241817276 1101723868 /nfs/dbraw/zinc/72/38/68/1101723868.db2.gz BUBQDWYFFRRCGM-UHFFFAOYSA-N 2 1 308.425 3.134 20 0 DGADMP c1cc(C[NH+]2CCOCC2)cc(-c2ccc(C[NH+]3CCC3)cc2)c1 ZINC001241818048 1101724923 /nfs/dbraw/zinc/72/49/23/1101724923.db2.gz JSOSFTQVHZTEDD-UHFFFAOYSA-N 2 1 322.452 3.392 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](CCCOc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC001198261164 1101787944 /nfs/dbraw/zinc/78/79/44/1101787944.db2.gz XPJRVKTUOONGEC-CTNGQTDRSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](CCCOc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC001198261164 1101787952 /nfs/dbraw/zinc/78/79/52/1101787952.db2.gz XPJRVKTUOONGEC-CTNGQTDRSA-N 2 1 324.468 3.492 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC001198261164 1101787959 /nfs/dbraw/zinc/78/79/59/1101787959.db2.gz XPJRVKTUOONGEC-CTNGQTDRSA-N 2 1 324.468 3.492 20 0 DGADMP Cc1[nH+]ccn1-c1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)ncn1 ZINC001242689482 1102285850 /nfs/dbraw/zinc/28/58/50/1102285850.db2.gz RHLKTPWMGPJLCL-MRXNPFEDSA-N 2 1 309.417 3.002 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(C2=CC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC001242688990 1102286043 /nfs/dbraw/zinc/28/60/43/1102286043.db2.gz HJRPVWIGRSCWDI-MRXNPFEDSA-N 2 1 309.417 3.002 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001205904586 1102462888 /nfs/dbraw/zinc/46/28/88/1102462888.db2.gz WCABXUJDMPPCLR-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001205913067 1102506005 /nfs/dbraw/zinc/50/60/05/1102506005.db2.gz GWROMBIBXBRGHZ-GXTWGEPZSA-N 2 1 316.367 3.453 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913454 1102515323 /nfs/dbraw/zinc/51/53/23/1102515323.db2.gz IJFBRVWACPBAAD-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001205913454 1102515332 /nfs/dbraw/zinc/51/53/32/1102515332.db2.gz IJFBRVWACPBAAD-ZYHUDNBSSA-N 2 1 320.330 3.284 20 0 DGADMP Cc1ccc(OC(C)C)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001243093618 1102521365 /nfs/dbraw/zinc/52/13/65/1102521365.db2.gz ZTZVLSXERIDVMQ-UHFFFAOYSA-N 2 1 311.429 3.254 20 0 DGADMP CC(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471212 1102622670 /nfs/dbraw/zinc/62/26/70/1102622670.db2.gz QTXDBAXLZNYKRR-QXAKKESOSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471212 1102622679 /nfs/dbraw/zinc/62/26/79/1102622679.db2.gz QTXDBAXLZNYKRR-QXAKKESOSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471212 1102622683 /nfs/dbraw/zinc/62/26/83/1102622683.db2.gz QTXDBAXLZNYKRR-QXAKKESOSA-N 2 1 301.478 3.270 20 0 DGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201471212 1102622686 /nfs/dbraw/zinc/62/26/86/1102622686.db2.gz QTXDBAXLZNYKRR-QXAKKESOSA-N 2 1 301.478 3.270 20 0 DGADMP CSCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201696227 1102692653 /nfs/dbraw/zinc/69/26/53/1102692653.db2.gz ISXMHXRFYCSOEI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201696227 1102692659 /nfs/dbraw/zinc/69/26/59/1102692659.db2.gz ISXMHXRFYCSOEI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201696227 1102692662 /nfs/dbraw/zinc/69/26/62/1102692662.db2.gz ISXMHXRFYCSOEI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CCCC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201709809 1102696721 /nfs/dbraw/zinc/69/67/21/1102696721.db2.gz FEMZXHIANFWDKS-QGZVFWFLSA-N 2 1 323.431 3.415 20 0 DGADMP CCCC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201709809 1102696730 /nfs/dbraw/zinc/69/67/30/1102696730.db2.gz FEMZXHIANFWDKS-QGZVFWFLSA-N 2 1 323.431 3.415 20 0 DGADMP CCCC[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201709809 1102696736 /nfs/dbraw/zinc/69/67/36/1102696736.db2.gz FEMZXHIANFWDKS-QGZVFWFLSA-N 2 1 323.431 3.415 20 0 DGADMP CCCC[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201709809 1102696746 /nfs/dbraw/zinc/69/67/46/1102696746.db2.gz FEMZXHIANFWDKS-QGZVFWFLSA-N 2 1 323.431 3.415 20 0 DGADMP CCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001201727597 1102701293 /nfs/dbraw/zinc/70/12/93/1102701293.db2.gz QJMMPAMBDYOAAF-UHFFFAOYSA-N 2 1 306.450 3.137 20 0 DGADMP CCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001201727597 1102701304 /nfs/dbraw/zinc/70/13/04/1102701304.db2.gz QJMMPAMBDYOAAF-UHFFFAOYSA-N 2 1 306.450 3.137 20 0 DGADMP FC1(F)CC[N@H+](CC2CC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001201917791 1102759786 /nfs/dbraw/zinc/75/97/86/1102759786.db2.gz FGGWUKTZPGUQKY-KRWDZBQOSA-N 2 1 321.415 3.025 20 0 DGADMP FC1(F)CC[N@@H+](CC2CC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001201917791 1102759798 /nfs/dbraw/zinc/75/97/98/1102759798.db2.gz FGGWUKTZPGUQKY-KRWDZBQOSA-N 2 1 321.415 3.025 20 0 DGADMP FC1(F)CC[NH+](CC2CC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001201917791 1102759808 /nfs/dbraw/zinc/75/98/08/1102759808.db2.gz FGGWUKTZPGUQKY-KRWDZBQOSA-N 2 1 321.415 3.025 20 0 DGADMP FC1(F)CC[NH+](CC2CC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001201917791 1102759822 /nfs/dbraw/zinc/75/98/22/1102759822.db2.gz FGGWUKTZPGUQKY-KRWDZBQOSA-N 2 1 321.415 3.025 20 0 DGADMP CC(C)n1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC001201946465 1102767655 /nfs/dbraw/zinc/76/76/55/1102767655.db2.gz DOCXSTDIXSWJOU-WBVHZDCISA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC001201946465 1102767664 /nfs/dbraw/zinc/76/76/64/1102767664.db2.gz DOCXSTDIXSWJOU-WBVHZDCISA-N 2 1 304.482 3.207 20 0 DGADMP FC(F)(F)CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001202424440 1102979978 /nfs/dbraw/zinc/97/99/78/1102979978.db2.gz HKPZCKGUYBJJSJ-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326236133 1103242795 /nfs/dbraw/zinc/24/27/95/1103242795.db2.gz DAWYGYROZOQPCV-UHFFFAOYSA-N 2 1 310.445 3.042 20 0 DGADMP COc1cc(N2CC[NH2+]CC2)ccc1-c1c(C)cc(C)[nH+]c1C ZINC001244288058 1103336874 /nfs/dbraw/zinc/33/68/74/1103336874.db2.gz LIUDHJWJZWUFBT-UHFFFAOYSA-N 2 1 311.429 3.092 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2sc(N3CCCCC3)nc2C)CC[C@H]1[NH3+] ZINC001326502471 1103344942 /nfs/dbraw/zinc/34/49/42/1103344942.db2.gz MGTRBHUNNCHWNB-HUUCEWRRSA-N 2 1 322.522 3.001 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001276336035 1103507493 /nfs/dbraw/zinc/50/74/93/1103507493.db2.gz DMOZSYPSIMPTFN-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001276336035 1103507501 /nfs/dbraw/zinc/50/75/01/1103507501.db2.gz DMOZSYPSIMPTFN-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-c3cncnc3)c1)C2 ZINC001276336035 1103507512 /nfs/dbraw/zinc/50/75/12/1103507512.db2.gz DMOZSYPSIMPTFN-HXUWFJFHSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001276337117 1103509693 /nfs/dbraw/zinc/50/96/93/1103509693.db2.gz YTOXROSLMCRSGW-UHFFFAOYSA-N 2 1 322.456 3.061 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948602 1103540516 /nfs/dbraw/zinc/54/05/16/1103540516.db2.gz LZJZVAKFHODJEQ-MRXNPFEDSA-N 2 1 313.445 3.247 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948602 1103540531 /nfs/dbraw/zinc/54/05/31/1103540531.db2.gz LZJZVAKFHODJEQ-MRXNPFEDSA-N 2 1 313.445 3.247 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948602 1103540542 /nfs/dbraw/zinc/54/05/42/1103540542.db2.gz LZJZVAKFHODJEQ-MRXNPFEDSA-N 2 1 313.445 3.247 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]c(=O)c2ccccc12 ZINC001412948602 1103540549 /nfs/dbraw/zinc/54/05/49/1103540549.db2.gz LZJZVAKFHODJEQ-MRXNPFEDSA-N 2 1 313.445 3.247 20 0 DGADMP CC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001327985991 1103793207 /nfs/dbraw/zinc/79/32/07/1103793207.db2.gz UUHWPIRNTPIWMQ-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110738371 1103814821 /nfs/dbraw/zinc/81/48/21/1103814821.db2.gz BSGSFQXYNMITDX-ZACQAIPSSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110738371 1103814836 /nfs/dbraw/zinc/81/48/36/1103814836.db2.gz BSGSFQXYNMITDX-ZACQAIPSSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110738371 1103814848 /nfs/dbraw/zinc/81/48/48/1103814848.db2.gz BSGSFQXYNMITDX-ZACQAIPSSA-N 2 1 323.525 3.019 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328286480 1103905264 /nfs/dbraw/zinc/90/52/64/1103905264.db2.gz UTGCJIMWGHPYIG-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N3CCCC3)o2)CC1 ZINC001137066261 1103950115 /nfs/dbraw/zinc/95/01/15/1103950115.db2.gz KJCOYJFHXZACMA-UHFFFAOYSA-N 2 1 319.493 3.432 20 0 DGADMP COc1cc2ccccc2cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001245416444 1104035702 /nfs/dbraw/zinc/03/57/02/1104035702.db2.gz KNTQOYUYOWQTBD-UHFFFAOYSA-N 2 1 319.408 3.320 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205980923 1104145423 /nfs/dbraw/zinc/14/54/23/1104145423.db2.gz AMRYRFLTFLZEJD-JSGCOSHPSA-N 2 1 311.267 3.256 20 0 DGADMP COCC[N@@H+](C)Cc1ccnc(-c2ccc(C(C)(C)[NH3+])cc2)c1 ZINC001245907530 1104302452 /nfs/dbraw/zinc/30/24/52/1104302452.db2.gz TYRBZGKAHSMIQN-UHFFFAOYSA-N 2 1 313.445 3.021 20 0 DGADMP CCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202771518 1104310955 /nfs/dbraw/zinc/31/09/55/1104310955.db2.gz GBAGYWJJAMFXFD-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC001246013515 1104353166 /nfs/dbraw/zinc/35/31/66/1104353166.db2.gz HCQAZYAIVOKRQA-PCCBWWKXSA-N 2 1 324.468 3.063 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2OC)CC[NH2+]1 ZINC001246073542 1104366588 /nfs/dbraw/zinc/36/65/88/1104366588.db2.gz GCTDDIXRIDXZAF-HOTGVXAUSA-N 2 1 306.450 3.104 20 0 DGADMP CCCC[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074743 1104369512 /nfs/dbraw/zinc/36/95/12/1104369512.db2.gz QEIPEVCUDUIORD-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246074743 1104369523 /nfs/dbraw/zinc/36/95/23/1104369523.db2.gz QEIPEVCUDUIORD-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001274398856 1104372175 /nfs/dbraw/zinc/37/21/75/1104372175.db2.gz XESJCZDRHNRLCL-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246080847 1104373238 /nfs/dbraw/zinc/37/32/38/1104373238.db2.gz PEYMJVPHPUFHPY-WOJBJXKFSA-N 2 1 317.521 3.239 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246083411 1104376252 /nfs/dbraw/zinc/37/62/52/1104376252.db2.gz YUYUYFDENRLRTD-CHWSQXEVSA-N 2 1 302.340 3.205 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091785 1104379986 /nfs/dbraw/zinc/37/99/86/1104379986.db2.gz HOZOHQQEHPVLIY-JYBIWHBTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091785 1104379998 /nfs/dbraw/zinc/37/99/98/1104379998.db2.gz HOZOHQQEHPVLIY-JYBIWHBTSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091785 1104380009 /nfs/dbraw/zinc/38/00/09/1104380009.db2.gz HOZOHQQEHPVLIY-JYBIWHBTSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC001246091785 1104380020 /nfs/dbraw/zinc/38/00/20/1104380020.db2.gz HOZOHQQEHPVLIY-JYBIWHBTSA-N 3 1 315.505 3.017 20 0 DGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1F ZINC001246092353 1104380161 /nfs/dbraw/zinc/38/01/61/1104380161.db2.gz AOSDRRAZVZDRHE-IAGOWNOFSA-N 2 1 316.395 3.418 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1)CC2 ZINC001246102289 1104385666 /nfs/dbraw/zinc/38/56/66/1104385666.db2.gz CLTRHLMUDNWAHF-MGPQQGTHSA-N 2 1 322.880 3.184 20 0 DGADMP c1ccc(COc2ccc3c(c2)C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CC3)cc1 ZINC001246113511 1104391983 /nfs/dbraw/zinc/39/19/83/1104391983.db2.gz BRVCXEWYCDLWPR-VQTJNVASSA-N 2 1 322.452 3.074 20 0 DGADMP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[NH2+]C1 ZINC001246115166 1104392641 /nfs/dbraw/zinc/39/26/41/1104392641.db2.gz REICHIORCRVTLD-RLLQIKCJSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114295 1104393164 /nfs/dbraw/zinc/39/31/64/1104393164.db2.gz VWKNHPJOASTBEH-IHPCNDPISA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246114295 1104393174 /nfs/dbraw/zinc/39/31/74/1104393174.db2.gz VWKNHPJOASTBEH-IHPCNDPISA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114295 1104393185 /nfs/dbraw/zinc/39/31/85/1104393185.db2.gz VWKNHPJOASTBEH-IHPCNDPISA-N 3 1 315.505 3.019 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)n2C)CC[NH2+]1 ZINC001246118327 1104394367 /nfs/dbraw/zinc/39/43/67/1104394367.db2.gz GHMOKSROTACQOQ-OLZOCXBDSA-N 2 1 317.399 3.444 20 0 DGADMP F[C@@]1(C[NH2+]C2CCC(Oc3ccccc3)CC2)CCCC[NH2+]C1 ZINC001246115717 1104395497 /nfs/dbraw/zinc/39/54/97/1104395497.db2.gz SLTDJPVGVHATLS-KVZIAJEVSA-N 2 1 320.452 3.448 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246149435 1104407117 /nfs/dbraw/zinc/40/71/17/1104407117.db2.gz BDNBTLQVZWIGGO-HOTGVXAUSA-N 2 1 300.487 3.386 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246158437 1104409573 /nfs/dbraw/zinc/40/95/73/1104409573.db2.gz JPNHKKUCHOWRGX-CYBMUJFWSA-N 2 1 304.331 3.465 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(F)cc2C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC001246163066 1104412054 /nfs/dbraw/zinc/41/20/54/1104412054.db2.gz KGGSDHJQCIHLPA-NXEZZACHSA-N 2 1 304.331 3.463 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246169479 1104417122 /nfs/dbraw/zinc/41/71/22/1104417122.db2.gz IUQUCSQAEWPKGI-HDICACEKSA-N 3 1 321.553 3.256 20 0 DGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246178127 1104424045 /nfs/dbraw/zinc/42/40/45/1104424045.db2.gz NMNQOHJZBAFNTE-VQTJNVASSA-N 2 1 315.505 3.463 20 0 DGADMP [NH3+]CCCN(C1CCCCC1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246178127 1104424049 /nfs/dbraw/zinc/42/40/49/1104424049.db2.gz NMNQOHJZBAFNTE-VQTJNVASSA-N 2 1 315.505 3.463 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC001246184171 1104426082 /nfs/dbraw/zinc/42/60/82/1104426082.db2.gz ZWPFTJTXURRPBH-SCTDSRPQSA-N 2 1 319.468 3.001 20 0 DGADMP CC[C@H](CC(C)C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246203291 1104435282 /nfs/dbraw/zinc/43/52/82/1104435282.db2.gz RVXPTNZUFMVRNN-CABCVRRESA-N 2 1 300.487 3.240 20 0 DGADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246205795 1104437657 /nfs/dbraw/zinc/43/76/57/1104437657.db2.gz VPKCGQIIYVUBTO-INIZCTEOSA-N 2 1 310.482 3.140 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC[NH2+]CC1(F)F ZINC001246219253 1104441603 /nfs/dbraw/zinc/44/16/03/1104441603.db2.gz GSKTXVBIGWUDPO-DOMZBBRYSA-N 2 1 314.807 3.032 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC[NH2+]CC1(F)F ZINC001246219256 1104441748 /nfs/dbraw/zinc/44/17/48/1104441748.db2.gz GSKTXVBIGWUDPO-IUODEOHRSA-N 2 1 314.807 3.032 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246218566 1104442055 /nfs/dbraw/zinc/44/20/55/1104442055.db2.gz BKLBSSCOAXDECM-SWLSCSKDSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)C[C@@H](C)[NH2+]1 ZINC001246223579 1104445007 /nfs/dbraw/zinc/44/50/07/1104445007.db2.gz WSKVQXVDLYNSGQ-NXEZZACHSA-N 2 1 320.330 3.343 20 0 DGADMP OC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246231040 1104449338 /nfs/dbraw/zinc/44/93/38/1104449338.db2.gz RBAMKIUQZKYJRZ-AABGKKOBSA-N 2 1 316.489 3.401 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C(F)(F)F)c2)CC[NH2+]1 ZINC001246238179 1104451841 /nfs/dbraw/zinc/45/18/41/1104451841.db2.gz YLOAUYLEDZVEAQ-QWHCGFSZSA-N 2 1 316.367 3.334 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](NCC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245171 1104457276 /nfs/dbraw/zinc/45/72/76/1104457276.db2.gz NMIWDQZHDOBHNU-UXHICEINSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245171 1104457280 /nfs/dbraw/zinc/45/72/80/1104457280.db2.gz NMIWDQZHDOBHNU-UXHICEINSA-N 3 1 315.505 3.163 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246245171 1104457286 /nfs/dbraw/zinc/45/72/86/1104457286.db2.gz NMIWDQZHDOBHNU-UXHICEINSA-N 3 1 315.505 3.163 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246259381 1104461966 /nfs/dbraw/zinc/46/19/66/1104461966.db2.gz OJJGXPZGEBOFCR-YYIAUSFCSA-N 2 1 310.869 3.272 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246257700 1104462827 /nfs/dbraw/zinc/46/28/27/1104462827.db2.gz IABPSMHYHOHVRU-YYIAUSFCSA-N 2 1 310.869 3.272 20 0 DGADMP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246274108 1104468634 /nfs/dbraw/zinc/46/86/34/1104468634.db2.gz SCNWAYFVMSMDCO-SZMVWBNQSA-N 2 1 302.462 3.087 20 0 DGADMP CCOC(=O)[C@H](CC1CCC1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246285080 1104474345 /nfs/dbraw/zinc/47/43/45/1104474345.db2.gz DFHAHXUPJYICIH-KRWDZBQOSA-N 2 1 322.493 3.010 20 0 DGADMP CC[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300351 1104478616 /nfs/dbraw/zinc/47/86/16/1104478616.db2.gz RFMSAUMFPMZQQH-FUMNGEBKSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300351 1104478621 /nfs/dbraw/zinc/47/86/21/1104478621.db2.gz RFMSAUMFPMZQQH-FUMNGEBKSA-N 2 1 315.505 3.160 20 0 DGADMP CC(C)C[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246308668 1104482632 /nfs/dbraw/zinc/48/26/32/1104482632.db2.gz HDSSRQVTGHREKD-NEWSRXKRSA-N 2 1 303.494 3.003 20 0 DGADMP CC(C)C[C@@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246311634 1104483936 /nfs/dbraw/zinc/48/39/36/1104483936.db2.gz QLXVTTPGGRPHQU-MOPGFXCFSA-N 2 1 317.521 3.393 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOc3cc(F)ccc32)CC[NH2+]1 ZINC001246312681 1104483954 /nfs/dbraw/zinc/48/39/54/1104483954.db2.gz AJEGLEYMANEAHG-KMFMINBZSA-N 2 1 306.425 3.406 20 0 DGADMP CC[C@@H]1CC([NH2+][C@H]2CCOc3ccc(OC)cc32)C[C@@H](CC)[NH2+]1 ZINC001246318175 1104487290 /nfs/dbraw/zinc/48/72/90/1104487290.db2.gz YVCLUVVGQQXRAR-LBTNJELSSA-N 2 1 318.461 3.418 20 0 DGADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246325007 1104488840 /nfs/dbraw/zinc/48/88/40/1104488840.db2.gz ILPNUFVHPAZCAU-GCLMUHHRSA-N 2 1 315.505 3.016 20 0 DGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246323463 1104489616 /nfs/dbraw/zinc/48/96/16/1104489616.db2.gz APLJBQCKEUEWOO-VJFUWPCTSA-N 2 1 302.462 3.354 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246329411 1104493041 /nfs/dbraw/zinc/49/30/41/1104493041.db2.gz PLPZZGBGIUYEJH-JEIKXUOUSA-N 2 1 315.505 3.158 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246331913 1104494871 /nfs/dbraw/zinc/49/48/71/1104494871.db2.gz OPEIAXBOJSGHBA-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)CC2 ZINC001246342996 1104498815 /nfs/dbraw/zinc/49/88/15/1104498815.db2.gz DJNUTQQHUZZTPY-BZNIZROVSA-N 2 1 310.869 3.169 20 0 DGADMP CCCCCCOC(=O)CCCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246339735 1104499404 /nfs/dbraw/zinc/49/94/04/1104499404.db2.gz GRQGMOHWBHWDDR-SJORKVTESA-N 2 1 312.498 3.400 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246345855 1104500747 /nfs/dbraw/zinc/50/07/47/1104500747.db2.gz OXBXOYNQWPOCMW-RISCZKNCSA-N 2 1 318.383 3.479 20 0 DGADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246358087 1104506791 /nfs/dbraw/zinc/50/67/91/1104506791.db2.gz YWIYDZGJXWIBRO-NJYVYQBISA-N 2 1 324.468 3.327 20 0 DGADMP CC[C@H]1CC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246360067 1104507434 /nfs/dbraw/zinc/50/74/34/1104507434.db2.gz IGGJLMHRHOYBMN-YESZJQIVSA-N 2 1 307.526 3.292 20 0 DGADMP CCCC[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246359817 1104508535 /nfs/dbraw/zinc/50/85/35/1104508535.db2.gz CYQBGJVWQXTORH-OTWHNJEPSA-N 2 1 307.526 3.151 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]1 ZINC001246360704 1104508553 /nfs/dbraw/zinc/50/85/53/1104508553.db2.gz ILAXXJYSUMPLRJ-SQNIBIBYSA-N 2 1 307.526 3.007 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OCC)cc2)CC[NH2+]1 ZINC001246364002 1104509083 /nfs/dbraw/zinc/50/90/83/1104509083.db2.gz RNLPSFHQLAVRKZ-ROUUACIJSA-N 2 1 318.461 3.264 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246374066 1104513555 /nfs/dbraw/zinc/51/35/55/1104513555.db2.gz FFYFNQPGYXTMHB-CABCVRRESA-N 2 1 322.880 3.466 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C[NH2+]1 ZINC001246383356 1104519476 /nfs/dbraw/zinc/51/94/76/1104519476.db2.gz IKRYBXNLCGULBH-DOMZBBRYSA-N 2 1 312.379 3.368 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246396326 1104525640 /nfs/dbraw/zinc/52/56/40/1104525640.db2.gz YKQXZWGFOCQJEF-HUUCEWRRSA-N 2 1 322.880 3.118 20 0 DGADMP CCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246403257 1104527257 /nfs/dbraw/zinc/52/72/57/1104527257.db2.gz CBNLGXCXNUAQSA-WBVHZDCISA-N 2 1 306.450 3.006 20 0 DGADMP C[C@H]1CCC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001246412536 1104532542 /nfs/dbraw/zinc/53/25/42/1104532542.db2.gz ZZAWJZURESELAQ-SZMVWBNQSA-N 2 1 318.461 3.006 20 0 DGADMP FC(F)(F)c1cccc(CC2(C[NH2+][C@H]3CC[NH2+]C3)CCC2)c1 ZINC001246431106 1104536719 /nfs/dbraw/zinc/53/67/19/1104536719.db2.gz BOAVUOOHXCVQRC-HNNXBMFYSA-N 2 1 312.379 3.370 20 0 DGADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274905275 1104538957 /nfs/dbraw/zinc/53/89/57/1104538957.db2.gz BWJQUEAQQHTQLQ-KDURUIRLSA-N 2 1 321.553 3.162 20 0 DGADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274905275 1104538965 /nfs/dbraw/zinc/53/89/65/1104538965.db2.gz BWJQUEAQQHTQLQ-KDURUIRLSA-N 2 1 321.553 3.162 20 0 DGADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274905275 1104538971 /nfs/dbraw/zinc/53/89/71/1104538971.db2.gz BWJQUEAQQHTQLQ-KDURUIRLSA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274905275 1104538976 /nfs/dbraw/zinc/53/89/76/1104538976.db2.gz BWJQUEAQQHTQLQ-KDURUIRLSA-N 2 1 321.553 3.162 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274905275 1104538986 /nfs/dbraw/zinc/53/89/86/1104538986.db2.gz BWJQUEAQQHTQLQ-KDURUIRLSA-N 2 1 321.553 3.162 20 0 DGADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCCNC1 ZINC001246439902 1104540306 /nfs/dbraw/zinc/54/03/06/1104540306.db2.gz BZGMNQVZXRSBEU-UFYCRDLUSA-N 2 1 315.505 3.209 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCCNC1 ZINC001246439902 1104540312 /nfs/dbraw/zinc/54/03/12/1104540312.db2.gz BZGMNQVZXRSBEU-UFYCRDLUSA-N 2 1 315.505 3.209 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246446032 1104542564 /nfs/dbraw/zinc/54/25/64/1104542564.db2.gz JZGREODNLGKXSS-MSOLQXFVSA-N 3 1 307.526 3.199 20 0 DGADMP CC[C@@]1(C[NH2+][C@H]2Cc3ccc(Br)cc3C2)CCC[NH2+]1 ZINC001246458089 1104547984 /nfs/dbraw/zinc/54/79/84/1104547984.db2.gz WFLGFUKAMIOFJH-HOTGVXAUSA-N 2 1 323.278 3.038 20 0 DGADMP CCOC(C)(C)C[N@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274942896 1104549776 /nfs/dbraw/zinc/54/97/76/1104549776.db2.gz JULXUBHJMVTPML-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274942896 1104549784 /nfs/dbraw/zinc/54/97/84/1104549784.db2.gz JULXUBHJMVTPML-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274942896 1104549792 /nfs/dbraw/zinc/54/97/92/1104549792.db2.gz JULXUBHJMVTPML-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274942896 1104549799 /nfs/dbraw/zinc/54/97/99/1104549799.db2.gz JULXUBHJMVTPML-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP CCOC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274942896 1104549808 /nfs/dbraw/zinc/54/98/08/1104549808.db2.gz JULXUBHJMVTPML-IBGZPJMESA-N 2 1 319.493 3.118 20 0 DGADMP CC1(C)C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001246477647 1104558999 /nfs/dbraw/zinc/55/89/99/1104558999.db2.gz IQMOPEBOPWXNIW-OTWHNJEPSA-N 2 1 315.505 3.289 20 0 DGADMP Cc1cccc2c1CC[C@H]([NH2+]CC[C@H]1CC[NH2+]CC1(F)F)C2 ZINC001246487305 1104560509 /nfs/dbraw/zinc/56/05/09/1104560509.db2.gz LEEBCACUGZQJHQ-CVEARBPZSA-N 2 1 308.416 3.077 20 0 DGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246488937 1104562907 /nfs/dbraw/zinc/56/29/07/1104562907.db2.gz OQBXVYNPZBZPAP-TZMCWYRMSA-N 2 1 316.823 3.496 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC001246499074 1104566782 /nfs/dbraw/zinc/56/67/82/1104566782.db2.gz APGBJRYAOQOKBV-GJZGRUSLSA-N 2 1 312.498 3.384 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)C[C@H]1C ZINC001246498228 1104566973 /nfs/dbraw/zinc/56/69/73/1104566973.db2.gz GZXPRNGRQGWVFV-WCVJEAGWSA-N 2 1 312.498 3.240 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001246499072 1104567261 /nfs/dbraw/zinc/56/72/61/1104567261.db2.gz APGBJRYAOQOKBV-CABCVRRESA-N 2 1 312.498 3.384 20 0 DGADMP C[C@H]1C[NH2+]C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001246497698 1104567372 /nfs/dbraw/zinc/56/73/72/1104567372.db2.gz PABALSJLACQFIP-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246511449 1104569857 /nfs/dbraw/zinc/56/98/57/1104569857.db2.gz JDJANFRJQZLMLP-FGTMMUONSA-N 3 1 307.526 3.342 20 0 DGADMP [NH3+]C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001246507269 1104570593 /nfs/dbraw/zinc/57/05/93/1104570593.db2.gz MNXQFFRFXXXDHF-LEWJYISDSA-N 2 1 323.484 3.331 20 0 DGADMP CCOc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1 ZINC001274998919 1104573859 /nfs/dbraw/zinc/57/38/59/1104573859.db2.gz IHHDQZXUZGGDNU-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1cc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001274998919 1104573872 /nfs/dbraw/zinc/57/38/72/1104573872.db2.gz IHHDQZXUZGGDNU-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCOc1cc(F)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001274998919 1104573877 /nfs/dbraw/zinc/57/38/77/1104573877.db2.gz IHHDQZXUZGGDNU-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP c1ccc(CCc2ccc(CC[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246516881 1104574072 /nfs/dbraw/zinc/57/40/72/1104574072.db2.gz XUIRHQOXSWWBOW-OAQYLSRUSA-N 2 1 308.469 3.356 20 0 DGADMP CCOc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001274994120 1104574283 /nfs/dbraw/zinc/57/42/83/1104574283.db2.gz VIKJJOHIDXSTIP-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCC[N@H+](CCOC)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246530116 1104579164 /nfs/dbraw/zinc/57/91/64/1104579164.db2.gz OIKVJPUTPJEYRQ-WMZOPIPTSA-N 2 1 308.441 3.286 20 0 DGADMP CCC[N@@H+](CCOC)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246530116 1104579169 /nfs/dbraw/zinc/57/91/69/1104579169.db2.gz OIKVJPUTPJEYRQ-WMZOPIPTSA-N 2 1 308.441 3.286 20 0 DGADMP Clc1ccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246529258 1104579429 /nfs/dbraw/zinc/57/94/29/1104579429.db2.gz JLJVHCRCUVNCOH-KRWDZBQOSA-N 2 1 319.880 3.137 20 0 DGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246536819 1104582346 /nfs/dbraw/zinc/58/23/46/1104582346.db2.gz RYAOCRSXGMSJCU-MRXNPFEDSA-N 2 1 316.489 3.480 20 0 DGADMP Clc1ccc(C2=CC[N@H+]([C@@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246535823 1104582489 /nfs/dbraw/zinc/58/24/89/1104582489.db2.gz LVTAQLQWQCZRAL-INIZCTEOSA-N 2 1 320.889 3.277 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539992 1104583483 /nfs/dbraw/zinc/58/34/83/1104583483.db2.gz JEPKNQQPVYVVBW-WFASDCNBSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246539339 1104583754 /nfs/dbraw/zinc/58/37/54/1104583754.db2.gz JUENKHCXWWADSZ-DOMZBBRYSA-N 2 1 316.367 3.329 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246539339 1104583760 /nfs/dbraw/zinc/58/37/60/1104583760.db2.gz JUENKHCXWWADSZ-DOMZBBRYSA-N 2 1 316.367 3.329 20 0 DGADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccccc3C)CC2)CC[NH2+]1 ZINC001246537566 1104583821 /nfs/dbraw/zinc/58/38/21/1104583821.db2.gz KQFBSPIRZWNYIP-OALUTQOASA-N 2 1 315.505 3.428 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246539457 1104584371 /nfs/dbraw/zinc/58/43/71/1104584371.db2.gz PTRMUBUVNLYXGU-MSOLQXFVSA-N 2 1 319.468 3.114 20 0 DGADMP COc1cccc2c1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)CC2 ZINC001246544854 1104585220 /nfs/dbraw/zinc/58/52/20/1104585220.db2.gz CUCBSGADFPYNSH-UHFFFAOYSA-N 2 1 314.473 3.366 20 0 DGADMP CC1(C)C[C@@H](N2CCC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541060 1104586431 /nfs/dbraw/zinc/58/64/31/1104586431.db2.gz LMEKPVSWBGGTNB-MOPGFXCFSA-N 2 1 315.505 3.243 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545702 1104587348 /nfs/dbraw/zinc/58/73/48/1104587348.db2.gz HXHKVNOUIUBEEK-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC001246545702 1104587355 /nfs/dbraw/zinc/58/73/55/1104587355.db2.gz HXHKVNOUIUBEEK-IRXDYDNUSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246547676 1104587547 /nfs/dbraw/zinc/58/75/47/1104587547.db2.gz MCSCHWZPUYLZJW-OUCADQQQSA-N 2 1 316.367 3.043 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246547358 1104588876 /nfs/dbraw/zinc/58/88/76/1104588876.db2.gz PFYHXQRPULHQNM-DOMZBBRYSA-N 2 1 311.267 3.193 20 0 DGADMP c1n[nH]cc1CN1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001275038589 1104588823 /nfs/dbraw/zinc/58/88/23/1104588823.db2.gz DRJQFYIOWCJREK-IBGZPJMESA-N 2 1 316.493 3.278 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)CC2 ZINC001246553115 1104589605 /nfs/dbraw/zinc/58/96/05/1104589605.db2.gz RQAIQKHIPCMWRH-HZSPNIEDSA-N 2 1 322.880 3.123 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246552565 1104590348 /nfs/dbraw/zinc/59/03/48/1104590348.db2.gz QEJHGXRQQKEXAH-HNXFYBAISA-N 2 1 302.462 3.293 20 0 DGADMP C1=CC[C@H](C[N@@H+]2CCC[C@@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040954 1104590921 /nfs/dbraw/zinc/59/09/21/1104590921.db2.gz XGSTZYRKNKFHKM-ICSRJNTNSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@H](C[N@H+]2CCC[C@@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040954 1104590928 /nfs/dbraw/zinc/59/09/28/1104590928.db2.gz XGSTZYRKNKFHKM-ICSRJNTNSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@H](C[NH+]2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001275040954 1104590935 /nfs/dbraw/zinc/59/09/35/1104590935.db2.gz XGSTZYRKNKFHKM-ICSRJNTNSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@H](C[NH+]2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001275040954 1104590943 /nfs/dbraw/zinc/59/09/43/1104590943.db2.gz XGSTZYRKNKFHKM-ICSRJNTNSA-N 2 1 318.505 3.452 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549523 1104591118 /nfs/dbraw/zinc/59/11/18/1104591118.db2.gz LDEYKZOAZQYVQJ-QZTJIDSGSA-N 2 1 302.462 3.364 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3cc(OC)ccc3C2)CC[NH2+]1 ZINC001246549523 1104591129 /nfs/dbraw/zinc/59/11/29/1104591129.db2.gz LDEYKZOAZQYVQJ-QZTJIDSGSA-N 2 1 302.462 3.364 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](C2CCC(Oc3ccccc3)CC2)CCC1(F)F ZINC001246561374 1104594954 /nfs/dbraw/zinc/59/49/54/1104594954.db2.gz WUASQRNLCWZTFW-UQPPLGOBSA-N 2 1 324.415 3.293 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558031 1104595085 /nfs/dbraw/zinc/59/50/85/1104595085.db2.gz NUISUVHQVGBGHI-OLZOCXBDSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CCC1(F)F ZINC001246558031 1104595092 /nfs/dbraw/zinc/59/50/92/1104595092.db2.gz NUISUVHQVGBGHI-OLZOCXBDSA-N 2 1 314.807 3.113 20 0 DGADMP C[C@@H]1CC[N@H+](C2CCN(c3cccc(F)c3)CC2)CC[C@@H]1C[NH3+] ZINC001246560646 1104595436 /nfs/dbraw/zinc/59/54/36/1104595436.db2.gz RIXBBDBBPQVASX-HZPDHXFCSA-N 2 1 319.468 3.101 20 0 DGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246564089 1104598051 /nfs/dbraw/zinc/59/80/51/1104598051.db2.gz YUAJHWQVNWNEPN-HYVNUMGLSA-N 2 1 318.461 3.043 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246567734 1104600196 /nfs/dbraw/zinc/60/01/96/1104600196.db2.gz XQLXFIUVSXOPQL-JMSVASOKSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246567734 1104600201 /nfs/dbraw/zinc/60/02/01/1104600201.db2.gz XQLXFIUVSXOPQL-JMSVASOKSA-N 2 1 316.367 3.185 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001246574891 1104601184 /nfs/dbraw/zinc/60/11/84/1104601184.db2.gz JNJYVGWBQXWOLJ-LJQANCHMSA-N 2 1 319.468 3.245 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246575703 1104601788 /nfs/dbraw/zinc/60/17/88/1104601788.db2.gz LADLQZLBXYQJGU-CRAIPNDOSA-N 2 1 308.416 3.273 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246581628 1104603481 /nfs/dbraw/zinc/60/34/81/1104603481.db2.gz ZLVWIXVWLKUBOC-CRAIPNDOSA-N 2 1 308.416 3.273 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579795 1104603640 /nfs/dbraw/zinc/60/36/40/1104603640.db2.gz LJOVIKASFBXQOJ-CZUORRHYSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579795 1104603644 /nfs/dbraw/zinc/60/36/44/1104603644.db2.gz LJOVIKASFBXQOJ-CZUORRHYSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246578612 1104604565 /nfs/dbraw/zinc/60/45/65/1104604565.db2.gz BGHOXCFNSPNDFS-BYCMXARLSA-N 2 1 300.418 3.068 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246578612 1104604573 /nfs/dbraw/zinc/60/45/73/1104604573.db2.gz BGHOXCFNSPNDFS-BYCMXARLSA-N 2 1 300.418 3.068 20 0 DGADMP CC[C@H]1CC[C@H](C2CCC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)CC1 ZINC001246587202 1104607773 /nfs/dbraw/zinc/60/77/73/1104607773.db2.gz VWGROPBUFQPAOX-GFYRFMMSSA-N 2 1 308.510 3.013 20 0 DGADMP CCC1CCC(C2CCC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)CC1 ZINC001246587207 1104607916 /nfs/dbraw/zinc/60/79/16/1104607916.db2.gz VWGROPBUFQPAOX-POQLSMTGSA-N 2 1 308.510 3.013 20 0 DGADMP CC1(C)COC2(CCC([N@H+]3CCCC[C@@](C)(C[NH3+])C3)CC2)OC1 ZINC001246588493 1104607938 /nfs/dbraw/zinc/60/79/38/1104607938.db2.gz ZTGLXFUWDQSMEH-SFHVURJKSA-N 2 1 324.509 3.149 20 0 DGADMP CCC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001275073414 1104608643 /nfs/dbraw/zinc/60/86/43/1104608643.db2.gz MBSRPCCSJSCSBK-GOSISDBHSA-N 2 1 309.542 3.162 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246593366 1104609611 /nfs/dbraw/zinc/60/96/11/1104609611.db2.gz MLKLIGISIHPUBM-QFBILLFUSA-N 2 1 318.461 3.187 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246591922 1104610245 /nfs/dbraw/zinc/61/02/45/1104610245.db2.gz VRJQJRWGFVNROH-UGFHNGPFSA-N 2 1 318.358 3.398 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246591922 1104610253 /nfs/dbraw/zinc/61/02/53/1104610253.db2.gz VRJQJRWGFVNROH-UGFHNGPFSA-N 2 1 318.358 3.398 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246595071 1104612128 /nfs/dbraw/zinc/61/21/28/1104612128.db2.gz XLRKVSYNYQDRGJ-VUHPKUFZSA-N 2 1 324.509 3.351 20 0 DGADMP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](CCc2ccccc2)CC3)c1 ZINC001275088764 1104615437 /nfs/dbraw/zinc/61/54/37/1104615437.db2.gz AZPYMMYTSYRYLH-UHFFFAOYSA-N 2 1 309.457 3.155 20 0 DGADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1C1CCCCCCC1)CC[NH2+]CC2 ZINC001246601712 1104617741 /nfs/dbraw/zinc/61/77/41/1104617741.db2.gz LCCHREPOTIWWQD-KRWDZBQOSA-N 2 1 322.493 3.107 20 0 DGADMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC001275096605 1104622478 /nfs/dbraw/zinc/62/24/78/1104622478.db2.gz OZWQBRIBYIXUIP-HDICACEKSA-N 2 1 318.509 3.093 20 0 DGADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC001275096605 1104622482 /nfs/dbraw/zinc/62/24/82/1104622482.db2.gz OZWQBRIBYIXUIP-HDICACEKSA-N 2 1 318.509 3.093 20 0 DGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2CC1 ZINC001275096605 1104622485 /nfs/dbraw/zinc/62/24/85/1104622485.db2.gz OZWQBRIBYIXUIP-HDICACEKSA-N 2 1 318.509 3.093 20 0 DGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2CC1 ZINC001275096605 1104622489 /nfs/dbraw/zinc/62/24/89/1104622489.db2.gz OZWQBRIBYIXUIP-HDICACEKSA-N 2 1 318.509 3.093 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC001246610389 1104626251 /nfs/dbraw/zinc/62/62/51/1104626251.db2.gz QWKHBXPOISGDCO-LYBXBRPPSA-N 2 1 314.473 3.452 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC001246610391 1104626997 /nfs/dbraw/zinc/62/69/97/1104626997.db2.gz QWKHBXPOISGDCO-UUKMXZOPSA-N 2 1 314.473 3.452 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)C2 ZINC001246613869 1104628084 /nfs/dbraw/zinc/62/80/84/1104628084.db2.gz ZHBULMLBQZMNIO-MSOLQXFVSA-N 2 1 304.865 3.273 20 0 DGADMP C1CCC2(CC1)CCC([N@@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246615611 1104629766 /nfs/dbraw/zinc/62/97/66/1104629766.db2.gz CVKPDIDFTHMQMC-LJQANCHMSA-N 2 1 306.494 3.334 20 0 DGADMP C1CCC2(CC1)CCC([N@H+]1CCO[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246615611 1104629769 /nfs/dbraw/zinc/62/97/69/1104629769.db2.gz CVKPDIDFTHMQMC-LJQANCHMSA-N 2 1 306.494 3.334 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246619289 1104631315 /nfs/dbraw/zinc/63/13/15/1104631315.db2.gz KGZHLRIQFYFBOK-IVMMDQJWSA-N 2 1 312.379 3.320 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246623060 1104632639 /nfs/dbraw/zinc/63/26/39/1104632639.db2.gz JNEPYIJUCXOLKY-RIVXBTQJSA-N 2 1 313.489 3.294 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627404 1104634514 /nfs/dbraw/zinc/63/45/14/1104634514.db2.gz JLQBREVTEDNJEP-SUMWQHHRSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627404 1104634518 /nfs/dbraw/zinc/63/45/18/1104634518.db2.gz JLQBREVTEDNJEP-SUMWQHHRSA-N 2 1 310.844 3.486 20 0 DGADMP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)C2 ZINC001246627878 1104634862 /nfs/dbraw/zinc/63/48/62/1104634862.db2.gz AQDNYYQOUGKVDD-KZNAEPCWSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627401 1104635058 /nfs/dbraw/zinc/63/50/58/1104635058.db2.gz JLQBREVTEDNJEP-GUYCJALGSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627401 1104635065 /nfs/dbraw/zinc/63/50/65/1104635065.db2.gz JLQBREVTEDNJEP-GUYCJALGSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246635870 1104637798 /nfs/dbraw/zinc/63/77/98/1104637798.db2.gz AMCSBMQARYXFKY-ZDUSSCGKSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632689 1104638818 /nfs/dbraw/zinc/63/88/18/1104638818.db2.gz ZBSANJMOKTWIFY-CYBMUJFWSA-N 2 1 323.278 3.066 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640590 1104639859 /nfs/dbraw/zinc/63/98/59/1104639859.db2.gz FIWMHDZFSUTLHJ-ZDUSSCGKSA-N 2 1 312.379 3.464 20 0 DGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)C2)cc1 ZINC001246638470 1104640742 /nfs/dbraw/zinc/64/07/42/1104640742.db2.gz OVAGNLDQYCXEEZ-HSALFYBXSA-N 2 1 314.473 3.025 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246643408 1104642373 /nfs/dbraw/zinc/64/23/73/1104642373.db2.gz GWZSASGGRXAUPJ-RDGPPVDQSA-N 3 1 307.526 3.150 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646395 1104644136 /nfs/dbraw/zinc/64/41/36/1104644136.db2.gz ZLNGROUVBZLQGY-FHWLQOOXSA-N 2 1 300.446 3.125 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCCC[C@@]34CC[NH2+]C4)CCO2)cc1 ZINC001246646395 1104644139 /nfs/dbraw/zinc/64/41/39/1104644139.db2.gz ZLNGROUVBZLQGY-FHWLQOOXSA-N 2 1 300.446 3.125 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246645551 1104644370 /nfs/dbraw/zinc/64/43/70/1104644370.db2.gz CTWDSYPUJKSZNP-INIZCTEOSA-N 2 1 320.427 3.430 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC001275136952 1104644893 /nfs/dbraw/zinc/64/48/93/1104644893.db2.gz GXTQNXBCRQJYHH-QGZVFWFLSA-N 2 1 305.491 3.149 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC001275136952 1104644897 /nfs/dbraw/zinc/64/48/97/1104644897.db2.gz GXTQNXBCRQJYHH-QGZVFWFLSA-N 2 1 305.491 3.149 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001275136952 1104644900 /nfs/dbraw/zinc/64/49/00/1104644900.db2.gz GXTQNXBCRQJYHH-QGZVFWFLSA-N 2 1 305.491 3.149 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001275136952 1104644904 /nfs/dbraw/zinc/64/49/04/1104644904.db2.gz GXTQNXBCRQJYHH-QGZVFWFLSA-N 2 1 305.491 3.149 20 0 DGADMP c1ccc2[nH]c(C[NH2+][C@@]34CC[C@@]([NH2+]CC5CC5)(C3)CCC4)nc2c1 ZINC001275137348 1104646943 /nfs/dbraw/zinc/64/69/43/1104646943.db2.gz ZGVHOGIUAWSOTO-UXHICEINSA-N 2 1 324.472 3.498 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649901 1104647150 /nfs/dbraw/zinc/64/71/50/1104647150.db2.gz RMSVEAYDODDIBR-CJNGLKHVSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649901 1104647154 /nfs/dbraw/zinc/64/71/54/1104647154.db2.gz RMSVEAYDODDIBR-CJNGLKHVSA-N 2 1 323.278 3.208 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650400 1104647513 /nfs/dbraw/zinc/64/75/13/1104647513.db2.gz HSYRHAMTNAWJMA-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650400 1104647515 /nfs/dbraw/zinc/64/75/15/1104647515.db2.gz HSYRHAMTNAWJMA-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP CCOC(=O)CC1CCC([N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246651542 1104647782 /nfs/dbraw/zinc/64/77/82/1104647782.db2.gz MIBQHUMYHQHJSU-TVPLGVNVSA-N 2 1 322.493 3.107 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC(C)(C)C1 ZINC001246653160 1104649061 /nfs/dbraw/zinc/64/90/61/1104649061.db2.gz CERWEKHPVFGWIX-XPCVCDNBSA-N 2 1 304.400 3.285 20 0 DGADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659120 1104650823 /nfs/dbraw/zinc/65/08/23/1104650823.db2.gz FEWKNMMWCRHUIR-HUJKARHJSA-N 2 1 306.453 3.486 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCCC2)C3)c1 ZINC001275152882 1104650998 /nfs/dbraw/zinc/65/09/98/1104650998.db2.gz COAMNFYHVVCFMN-IBGZPJMESA-N 2 1 301.478 3.493 20 0 DGADMP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCCC2)C3)c1 ZINC001275152882 1104651001 /nfs/dbraw/zinc/65/10/01/1104651001.db2.gz COAMNFYHVVCFMN-IBGZPJMESA-N 2 1 301.478 3.493 20 0 DGADMP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCC2)C3)c1 ZINC001275152882 1104651004 /nfs/dbraw/zinc/65/10/04/1104651004.db2.gz COAMNFYHVVCFMN-IBGZPJMESA-N 2 1 301.478 3.493 20 0 DGADMP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCC2)C3)c1 ZINC001275152882 1104651006 /nfs/dbraw/zinc/65/10/06/1104651006.db2.gz COAMNFYHVVCFMN-IBGZPJMESA-N 2 1 301.478 3.493 20 0 DGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246657795 1104651113 /nfs/dbraw/zinc/65/11/13/1104651113.db2.gz IYGKNQPYKRTEAC-QCQGSNGOSA-N 2 1 311.256 3.272 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661682 1104653207 /nfs/dbraw/zinc/65/32/07/1104653207.db2.gz GJBXEUVLWBVOTF-JGGQBBKZSA-N 2 1 323.278 3.193 20 0 DGADMP c1n[nH]cc1C[N@@H+]1CCCC2(CC[NH+](CC3CCCC3)CC2)C1 ZINC001275154273 1104654818 /nfs/dbraw/zinc/65/48/18/1104654818.db2.gz WAJNWKYVDDXCHQ-UHFFFAOYSA-N 2 1 316.493 3.278 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676089 1104657106 /nfs/dbraw/zinc/65/71/06/1104657106.db2.gz CBYQJDGHIWWYQX-JSGCOSHPSA-N 2 1 312.379 3.178 20 0 DGADMP CCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246675701 1104657493 /nfs/dbraw/zinc/65/74/93/1104657493.db2.gz AOWSYSGHSLPIFJ-LNLFQRSKSA-N 2 1 324.509 3.210 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)ccc2c1 ZINC001246674926 1104657517 /nfs/dbraw/zinc/65/75/17/1104657517.db2.gz OYVFROVJYSUMSD-ZRCAFCQKSA-N 2 1 324.468 3.463 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246679008 1104658266 /nfs/dbraw/zinc/65/82/66/1104658266.db2.gz QNIOGZZTPMLHMP-KSZLIROESA-N 2 1 316.464 3.395 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246677104 1104658628 /nfs/dbraw/zinc/65/86/28/1104658628.db2.gz GQFLONRQVRUBEF-WCQYABFASA-N 2 1 313.272 3.466 20 0 DGADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246682006 1104660588 /nfs/dbraw/zinc/66/05/88/1104660588.db2.gz AWCCKGUEMMGULJ-RLLQIKCJSA-N 2 1 316.489 3.269 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246687775 1104662666 /nfs/dbraw/zinc/66/26/66/1104662666.db2.gz FVRXJNWAKHWJIM-QRVBRYPASA-N 2 1 304.453 3.421 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779351 1104668798 /nfs/dbraw/zinc/66/87/98/1104668798.db2.gz ZPEBRPOUBRUBDD-CHWSQXEVSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779351 1104668801 /nfs/dbraw/zinc/66/88/01/1104668801.db2.gz ZPEBRPOUBRUBDD-CHWSQXEVSA-N 2 1 311.267 3.051 20 0 DGADMP C[N@H+]1CCN([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC001246777171 1104668957 /nfs/dbraw/zinc/66/89/57/1104668957.db2.gz RCPZTLCNISGJNL-QYZOEREBSA-N 2 1 315.505 3.142 20 0 DGADMP CC[C@@H]1CC([N@H+](C)Cc2cc(OC)cc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246777180 1104669248 /nfs/dbraw/zinc/66/92/48/1104669248.db2.gz KNHWAJOFFQKPCI-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)Cc2cc(OC)cc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246777180 1104669251 /nfs/dbraw/zinc/66/92/51/1104669251.db2.gz KNHWAJOFFQKPCI-HZPDHXFCSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774415 1104669296 /nfs/dbraw/zinc/66/92/96/1104669296.db2.gz FARGNRQHPIZNRZ-IYWMVGAKSA-N 2 1 315.505 3.284 20 0 DGADMP CC[C@@H]1C[C@@H](N2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774415 1104669300 /nfs/dbraw/zinc/66/93/00/1104669300.db2.gz FARGNRQHPIZNRZ-IYWMVGAKSA-N 2 1 315.505 3.284 20 0 DGADMP c1ccc(O[C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246780874 1104670109 /nfs/dbraw/zinc/67/01/09/1104670109.db2.gz AJPFVOUOWGEVSG-AVAKVYKDSA-N 2 1 300.446 3.062 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246780953 1104670842 /nfs/dbraw/zinc/67/08/42/1104670842.db2.gz APDOCMIOJMCNIK-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246780953 1104670847 /nfs/dbraw/zinc/67/08/47/1104670847.db2.gz APDOCMIOJMCNIK-BJWYYQGGSA-N 2 1 320.477 3.445 20 0 DGADMP c1ccc(CO[C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246783780 1104672459 /nfs/dbraw/zinc/67/24/59/1104672459.db2.gz VBCFWPNSGCBQAL-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP COCC[N@H+](C(C)C)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785821 1104673886 /nfs/dbraw/zinc/67/38/86/1104673886.db2.gz LITLNGRSKMMXTQ-FUHWJXTLSA-N 2 1 308.441 3.284 20 0 DGADMP COCC[N@@H+](C(C)C)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785821 1104673887 /nfs/dbraw/zinc/67/38/87/1104673887.db2.gz LITLNGRSKMMXTQ-FUHWJXTLSA-N 2 1 308.441 3.284 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246789659 1104676479 /nfs/dbraw/zinc/67/64/79/1104676479.db2.gz DPVGJAAJMQNOMJ-UFYCRDLUSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246791478 1104678032 /nfs/dbraw/zinc/67/80/32/1104678032.db2.gz JJSOTDJNAGTVII-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792562 1104678222 /nfs/dbraw/zinc/67/82/22/1104678222.db2.gz RBXFZKJABQDTKQ-FHWLQOOXSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792562 1104678228 /nfs/dbraw/zinc/67/82/28/1104678228.db2.gz RBXFZKJABQDTKQ-FHWLQOOXSA-N 2 1 302.462 3.054 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@@H](C[NH3+])C3)ccc2c1 ZINC001246798448 1104681338 /nfs/dbraw/zinc/68/13/38/1104681338.db2.gz SOKPLAYBWXLYCD-WBVHZDCISA-N 2 1 312.457 3.450 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)CCc2cccc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246815074 1104688882 /nfs/dbraw/zinc/68/88/82/1104688882.db2.gz VKCPKMKNBDGVHF-IAGOWNOFSA-N 2 1 304.478 3.479 20 0 DGADMP CC[C@H]1CC([N@@H+](C)CCc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246815075 1104689003 /nfs/dbraw/zinc/68/90/03/1104689003.db2.gz VKCPKMKNBDGVHF-IRXDYDNUSA-N 2 1 304.478 3.479 20 0 DGADMP COc1ccccc1CC[N@@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246815613 1104690362 /nfs/dbraw/zinc/69/03/62/1104690362.db2.gz ZLYGDSYMQYKDCM-UHFFFAOYSA-N 2 1 302.462 3.092 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3Br)C[C@H]2CC1 ZINC001275245678 1104690534 /nfs/dbraw/zinc/69/05/34/1104690534.db2.gz OKYPPGFZBMSQNM-OKILXGFUSA-N 2 1 323.278 3.223 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3Br)C[C@H]2CC1 ZINC001275245678 1104690527 /nfs/dbraw/zinc/69/05/27/1104690527.db2.gz OKYPPGFZBMSQNM-OKILXGFUSA-N 2 1 323.278 3.223 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3Br)C[C@H]2CC1 ZINC001275245678 1104690531 /nfs/dbraw/zinc/69/05/31/1104690531.db2.gz OKYPPGFZBMSQNM-OKILXGFUSA-N 2 1 323.278 3.223 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820577 1104691299 /nfs/dbraw/zinc/69/12/99/1104691299.db2.gz HWYMOYHHHATFRQ-JGGQBBKZSA-N 2 1 323.278 3.379 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820586 1104692088 /nfs/dbraw/zinc/69/20/88/1104692088.db2.gz HWYMOYHHHATFRQ-XNRPHZJLSA-N 2 1 323.278 3.379 20 0 DGADMP Fc1ccc2c(c1)C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)CC2 ZINC001246827858 1104694509 /nfs/dbraw/zinc/69/45/09/1104694509.db2.gz SURNBOMLEQPACJ-UHFFFAOYSA-N 2 1 302.437 3.496 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001275258112 1104695847 /nfs/dbraw/zinc/69/58/47/1104695847.db2.gz OPAKJSRLFHQPNA-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP COc1ccc(OC)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001275264644 1104696799 /nfs/dbraw/zinc/69/67/99/1104696799.db2.gz GCVCWRWXRWLEOE-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)C[C@@H]1CCC[NH2+]C1)CC2 ZINC001246839024 1104699783 /nfs/dbraw/zinc/69/97/83/1104699783.db2.gz AFDPBOQWDXNEJC-ZIAGYGMSSA-N 2 1 322.880 3.137 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H](C)COC)CC[NH2+]1 ZINC001246840844 1104701838 /nfs/dbraw/zinc/70/18/38/1104701838.db2.gz RMKHKNZOKMMUNI-KBAYOESNSA-N 2 1 320.477 3.063 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@H]1CC[NH3+])CC2 ZINC001246844287 1104703874 /nfs/dbraw/zinc/70/38/74/1104703874.db2.gz IKYVQIZTUHUWLZ-QWHCGFSZSA-N 2 1 308.853 3.019 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001246862438 1104710317 /nfs/dbraw/zinc/71/03/17/1104710317.db2.gz GRJICFVCEMTJJT-TZMCWYRMSA-N 2 1 316.367 3.058 20 0 DGADMP C[C@@H]1C[C@H]([NH3+])CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001246864208 1104710505 /nfs/dbraw/zinc/71/05/05/1104710505.db2.gz RAZAIZBUBDGIFM-NEWSRXKRSA-N 2 1 315.505 3.099 20 0 DGADMP CCSC[C@@H](C)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246860402 1104710525 /nfs/dbraw/zinc/71/05/25/1104710525.db2.gz MJIZQVMNCHANPP-OAHLLOKOSA-N 2 1 304.503 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1F ZINC001275301541 1104712823 /nfs/dbraw/zinc/71/28/23/1104712823.db2.gz MSCPPBYJELDSMV-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP CC1(C)C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)Cc2ccccc21 ZINC001246870494 1104713793 /nfs/dbraw/zinc/71/37/93/1104713793.db2.gz KYDQXWUPXKNQGM-UHFFFAOYSA-N 2 1 314.473 3.081 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)ccc2c1 ZINC001246870151 1104714440 /nfs/dbraw/zinc/71/44/40/1104714440.db2.gz NSSCFPOFQKPVIR-BOUXLOLZSA-N 2 1 310.441 3.203 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)ccc2c1 ZINC001246870151 1104714446 /nfs/dbraw/zinc/71/44/46/1104714446.db2.gz NSSCFPOFQKPVIR-BOUXLOLZSA-N 2 1 310.441 3.203 20 0 DGADMP c1ccc(OC2CCC([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)CC2)cc1 ZINC001246867513 1104714648 /nfs/dbraw/zinc/71/46/48/1104714648.db2.gz OLRGZTOSANUELX-XNYRCJLNSA-N 2 1 300.446 3.060 20 0 DGADMP c1ccc(OC2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)CC2)cc1 ZINC001246867513 1104714652 /nfs/dbraw/zinc/71/46/52/1104714652.db2.gz OLRGZTOSANUELX-XNYRCJLNSA-N 2 1 300.446 3.060 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)CC1 ZINC001246871832 1104715947 /nfs/dbraw/zinc/71/59/47/1104715947.db2.gz NACJDFDWRWSDQE-CTWPCTMYSA-N 2 1 321.553 3.336 20 0 DGADMP C[N@@H+](CC(=O)c1ccccc1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246873870 1104717204 /nfs/dbraw/zinc/71/72/04/1104717204.db2.gz HKGFWHPECMIGGL-UHFFFAOYSA-N 2 1 300.446 3.114 20 0 DGADMP C[N@@H+](CC(=O)c1ccccc1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246877064 1104718835 /nfs/dbraw/zinc/71/88/35/1104718835.db2.gz UOSHPMBDRPKOGX-UHFFFAOYSA-N 2 1 300.446 3.114 20 0 DGADMP C[C@H](Cc1ccccc1F)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882263 1104721458 /nfs/dbraw/zinc/72/14/58/1104721458.db2.gz YFDOOWGAIIYIDS-BSIFCXSSSA-N 2 1 324.443 3.230 20 0 DGADMP Cc1cc(F)ccc1N1CC[NH+]([C@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246895149 1104727060 /nfs/dbraw/zinc/72/70/60/1104727060.db2.gz PQSDOCJDODXNKR-ROUUACIJSA-N 2 1 319.468 3.033 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+](C)CCCC[NH3+] ZINC001246895337 1104727487 /nfs/dbraw/zinc/72/74/87/1104727487.db2.gz VKKLKEBVFUBKSW-CYBMUJFWSA-N 2 1 313.283 3.441 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246904768 1104730302 /nfs/dbraw/zinc/73/03/02/1104730302.db2.gz YGXYDDPWGWXHRF-WCXIOVBPSA-N 2 1 324.509 3.349 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246903998 1104730611 /nfs/dbraw/zinc/73/06/11/1104730611.db2.gz COERAODGKGPREM-VFSICIBPSA-N 2 1 318.486 3.145 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246907367 1104732206 /nfs/dbraw/zinc/73/22/06/1104732206.db2.gz QXEOYCABIZHPSN-BRSBDYLESA-N 2 1 324.509 3.208 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001246907624 1104732733 /nfs/dbraw/zinc/73/27/33/1104732733.db2.gz BUGAHSFUDAWDNI-UYSNPLJNSA-N 2 1 308.853 3.106 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC001246911221 1104734457 /nfs/dbraw/zinc/73/44/57/1104734457.db2.gz AHTCGKICVWQXLM-CGTJXYLNSA-N 2 1 302.462 3.090 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246911225 1104734578 /nfs/dbraw/zinc/73/45/78/1104734578.db2.gz AHTCGKICVWQXLM-NJAFHUGGSA-N 2 1 302.462 3.090 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001246924084 1104739077 /nfs/dbraw/zinc/73/90/77/1104739077.db2.gz YMABLSYNHSANSE-CGZBRXJRSA-N 2 1 318.461 3.199 20 0 DGADMP COCC[N@H+]([C@H](C)CCc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC001246928322 1104740250 /nfs/dbraw/zinc/74/02/50/1104740250.db2.gz KANWFIMNEMDBRQ-MJGOQNOKSA-N 2 1 304.478 3.017 20 0 DGADMP COCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC001246928322 1104740255 /nfs/dbraw/zinc/74/02/55/1104740255.db2.gz KANWFIMNEMDBRQ-MJGOQNOKSA-N 2 1 304.478 3.017 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC[NH2+]1 ZINC001246930593 1104741039 /nfs/dbraw/zinc/74/10/39/1104741039.db2.gz UZHDTIZVPYRAQH-RCCFBDPRSA-N 2 1 302.462 3.405 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935460 1104742712 /nfs/dbraw/zinc/74/27/12/1104742712.db2.gz FGFCANFHPNFHFQ-SJORKVTESA-N 2 1 324.509 3.353 20 0 DGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCSC2)cc1 ZINC001246936855 1104744024 /nfs/dbraw/zinc/74/40/24/1104744024.db2.gz KILCOYCSTNOYRH-QGZVFWFLSA-N 2 1 308.466 3.133 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246938955 1104744487 /nfs/dbraw/zinc/74/44/87/1104744487.db2.gz QDASOAJLTUSCPJ-VYMYIBDJSA-N 2 1 315.505 3.240 20 0 DGADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943047 1104745521 /nfs/dbraw/zinc/74/55/21/1104745521.db2.gz OXTYBDFTHJQLFB-MOPGFXCFSA-N 2 1 320.452 3.337 20 0 DGADMP CCCN([C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246941419 1104745842 /nfs/dbraw/zinc/74/58/42/1104745842.db2.gz KOVBVLUMZCNVPY-UXHICEINSA-N 2 1 315.505 3.115 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941525 1104745939 /nfs/dbraw/zinc/74/59/39/1104745939.db2.gz ZIMIDQOJMOPAFG-QRQLOZEOSA-N 3 1 321.553 3.397 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H](N(C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246941525 1104745945 /nfs/dbraw/zinc/74/59/45/1104745945.db2.gz ZIMIDQOJMOPAFG-QRQLOZEOSA-N 2 1 321.553 3.397 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246940596 1104746041 /nfs/dbraw/zinc/74/60/41/1104746041.db2.gz IVTRLQRQFUXSDG-MCIONIFRSA-N 2 1 310.844 3.342 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC=C(c3ccc(OC)cc3)CC2)CC[NH2+]1 ZINC001246946104 1104746510 /nfs/dbraw/zinc/74/65/10/1104746510.db2.gz FPNLQNZPFQSUBA-MSOLQXFVSA-N 2 1 300.446 3.315 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945401 1104746964 /nfs/dbraw/zinc/74/69/64/1104746964.db2.gz LPUFNOFZXLFMFR-KSZLIROESA-N 2 1 308.510 3.434 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](C(C)C)C1)CCC2 ZINC001246946247 1104747005 /nfs/dbraw/zinc/74/70/05/1104747005.db2.gz OLDHEKZIMRVWAI-PKOBYXMFSA-N 2 1 302.462 3.220 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](C(C)C)C1)CCC2 ZINC001246946239 1104747189 /nfs/dbraw/zinc/74/71/89/1104747189.db2.gz OLDHEKZIMRVWAI-HKUYNNGSSA-N 2 1 302.462 3.220 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948042 1104748561 /nfs/dbraw/zinc/74/85/61/1104748561.db2.gz AADNYIHFJSWEPR-AEFFLSMTSA-N 3 1 309.542 3.397 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246948042 1104748566 /nfs/dbraw/zinc/74/85/66/1104748566.db2.gz AADNYIHFJSWEPR-AEFFLSMTSA-N 3 1 309.542 3.397 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)C2)c1 ZINC001246949018 1104748743 /nfs/dbraw/zinc/74/87/43/1104748743.db2.gz RRZUJGLXXLUPOC-AOIWGVFYSA-N 2 1 302.462 3.261 20 0 DGADMP CC(C)CN(C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246951722 1104750230 /nfs/dbraw/zinc/75/02/30/1104750230.db2.gz FSOGYTCDHXTBRZ-BMHONFFRSA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246962273 1104752931 /nfs/dbraw/zinc/75/29/31/1104752931.db2.gz UDLDTIQSPXKHKW-UXHICEINSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246961268 1104752951 /nfs/dbraw/zinc/75/29/51/1104752951.db2.gz PPSICSKMTPUWJA-KRWDZBQOSA-N 2 1 308.466 3.194 20 0 DGADMP COc1cccc([C@H]2CSCC[N@@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246963343 1104754071 /nfs/dbraw/zinc/75/40/71/1104754071.db2.gz AENJULUMHXLVAN-HBUWYVDXSA-N 2 1 320.502 3.314 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246963343 1104754076 /nfs/dbraw/zinc/75/40/76/1104754076.db2.gz AENJULUMHXLVAN-HBUWYVDXSA-N 2 1 320.502 3.314 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)C2)c1 ZINC001246968498 1104754812 /nfs/dbraw/zinc/75/48/12/1104754812.db2.gz QCEIFXLAXZHCCS-KURKYZTESA-N 2 1 317.477 3.010 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970939 1104754950 /nfs/dbraw/zinc/75/49/50/1104754950.db2.gz CVIRYWUMXWTKLX-FZKQIMNGSA-N 2 1 304.865 3.271 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246970702 1104755297 /nfs/dbraw/zinc/75/52/97/1104755297.db2.gz CDPRVIVWMLCKRB-CXAGYDPISA-N 2 1 320.427 3.286 20 0 DGADMP COc1cccc([C@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246967995 1104755329 /nfs/dbraw/zinc/75/53/29/1104755329.db2.gz QFQNUXMUIXZHAO-IXEWLPCDSA-N 2 1 318.486 3.068 20 0 DGADMP COc1cccc([C@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246967995 1104755335 /nfs/dbraw/zinc/75/53/35/1104755335.db2.gz QFQNUXMUIXZHAO-IXEWLPCDSA-N 2 1 318.486 3.068 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)C[C@@H](CC)[NH2+]1 ZINC001246972447 1104756042 /nfs/dbraw/zinc/75/60/42/1104756042.db2.gz IFTJGIYTXPNYQU-JFIYKMOQSA-N 2 1 317.477 3.152 20 0 DGADMP CC(C)N([C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246972569 1104756999 /nfs/dbraw/zinc/75/69/99/1104756999.db2.gz KQYYATYZESCREQ-SXLOBPIMSA-N 2 1 315.505 3.112 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246978917 1104759775 /nfs/dbraw/zinc/75/97/75/1104759775.db2.gz KBISTVNKHSIMQJ-UHOSZYNNSA-N 2 1 318.436 3.201 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246977023 1104759898 /nfs/dbraw/zinc/75/98/98/1104759898.db2.gz RHUCNNSTQAJECW-XTBFLFJDSA-N 2 1 323.278 3.049 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](CC(=O)OCC)[C@@H](C)C2)CC[NH2+]1 ZINC001246986304 1104763470 /nfs/dbraw/zinc/76/34/70/1104763470.db2.gz HEPJYUFJMPDYHY-BSDSXHPESA-N 2 1 324.509 3.208 20 0 DGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246995230 1104768809 /nfs/dbraw/zinc/76/88/09/1104768809.db2.gz SGUJPYQFLHWVIT-IRXDYDNUSA-N 2 1 316.445 3.141 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246996679 1104769103 /nfs/dbraw/zinc/76/91/03/1104769103.db2.gz IFRJMSVCOHASJZ-ROYATCLZSA-N 2 1 314.448 3.104 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996970 1104769490 /nfs/dbraw/zinc/76/94/90/1104769490.db2.gz JEOBCQGQFWBFGQ-KHYOSLBOSA-N 2 1 302.437 3.246 20 0 DGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246999521 1104770341 /nfs/dbraw/zinc/77/03/41/1104770341.db2.gz JUJNCMXLTXUFEC-FDYSRKEFSA-N 2 1 314.473 3.234 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC1 ZINC001246998278 1104770538 /nfs/dbraw/zinc/77/05/38/1104770538.db2.gz CFSIATKWDILASK-FLMHQWFMSA-N 2 1 319.880 3.454 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001247001171 1104771947 /nfs/dbraw/zinc/77/19/47/1104771947.db2.gz JNZLELHKVACKFI-YYWXWVFPSA-N 2 1 323.278 3.440 20 0 DGADMP c1ccc2c(c1)CC([NH+]1CCC3(CC1)[NH2+]Cc1ccccc13)C2 ZINC001247002374 1104773386 /nfs/dbraw/zinc/77/33/86/1104773386.db2.gz OZOQDBFQRIUFAY-UHFFFAOYSA-N 2 1 304.437 3.248 20 0 DGADMP c1ccc(OC2CCC([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247014529 1104777851 /nfs/dbraw/zinc/77/78/51/1104777851.db2.gz KQDFGBZOVBZGFX-CLPROHDKSA-N 2 1 314.473 3.451 20 0 DGADMP c1ccc(OC2CCC([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247014529 1104777857 /nfs/dbraw/zinc/77/78/57/1104777857.db2.gz KQDFGBZOVBZGFX-CLPROHDKSA-N 2 1 314.473 3.451 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247015874 1104779865 /nfs/dbraw/zinc/77/98/65/1104779865.db2.gz QTMTVWVGJDRBJL-MPGHIAIKSA-N 2 1 304.865 3.271 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3ncsc31)CC2 ZINC001275557711 1104807833 /nfs/dbraw/zinc/80/78/33/1104807833.db2.gz HTIQTZIDPZEOEY-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(O)c3Cl)CC2)C1 ZINC001275566425 1104812010 /nfs/dbraw/zinc/81/20/10/1104812010.db2.gz RGHWIJPGYGBOJK-UHFFFAOYSA-N 2 1 308.853 3.353 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001275740488 1104889690 /nfs/dbraw/zinc/88/96/90/1104889690.db2.gz MIUCCDAAHZFCCN-UHFFFAOYSA-N 2 1 318.509 3.173 20 0 DGADMP Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275815284 1104919157 /nfs/dbraw/zinc/91/91/57/1104919157.db2.gz CHZPTVWHDLXBDH-HDICACEKSA-N 2 1 314.473 3.479 20 0 DGADMP Oc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275815284 1104919163 /nfs/dbraw/zinc/91/91/63/1104919163.db2.gz CHZPTVWHDLXBDH-HDICACEKSA-N 2 1 314.473 3.479 20 0 DGADMP Oc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275815284 1104919166 /nfs/dbraw/zinc/91/91/66/1104919166.db2.gz CHZPTVWHDLXBDH-HDICACEKSA-N 2 1 314.473 3.479 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Br)cc3)C[C@H]2CC1 ZINC001275829272 1104924743 /nfs/dbraw/zinc/92/47/43/1104924743.db2.gz UJYDXSOGGUGLIA-GASCZTMLSA-N 2 1 323.278 3.223 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@H]2CC1 ZINC001275829272 1104924744 /nfs/dbraw/zinc/92/47/44/1104924744.db2.gz UJYDXSOGGUGLIA-GASCZTMLSA-N 2 1 323.278 3.223 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3)C[C@H]2CC1 ZINC001275829272 1104924748 /nfs/dbraw/zinc/92/47/48/1104924748.db2.gz UJYDXSOGGUGLIA-GASCZTMLSA-N 2 1 323.278 3.223 20 0 DGADMP COc1ccc(F)c(F)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275836480 1104927044 /nfs/dbraw/zinc/92/70/44/1104927044.db2.gz XFNUQJJKJPNMMM-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001275912514 1104953158 /nfs/dbraw/zinc/95/31/58/1104953158.db2.gz UPIDQDVUJQUJKM-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001275912514 1104953160 /nfs/dbraw/zinc/95/31/60/1104953160.db2.gz UPIDQDVUJQUJKM-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001275912514 1104953166 /nfs/dbraw/zinc/95/31/66/1104953166.db2.gz UPIDQDVUJQUJKM-BGYRXZFFSA-N 2 1 324.472 3.062 20 0 DGADMP COc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275914209 1104955047 /nfs/dbraw/zinc/95/50/47/1104955047.db2.gz XYKIYUBBGHRZGD-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1c(Cl)cccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275914209 1104955051 /nfs/dbraw/zinc/95/50/51/1104955051.db2.gz XYKIYUBBGHRZGD-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP COc1c(Cl)cccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275914209 1104955054 /nfs/dbraw/zinc/95/50/54/1104955054.db2.gz XYKIYUBBGHRZGD-OKILXGFUSA-N 2 1 308.853 3.122 20 0 DGADMP CC(C)(C)Oc1ccc(-c2noc([C@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247700109 1104958801 /nfs/dbraw/zinc/95/88/01/1104958801.db2.gz XAOGLWKWHMXAFH-CQSZACIVSA-N 2 1 318.421 3.043 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CC[NH+](Cc4ccoc4)CC3)C2)c1 ZINC001275943824 1104964645 /nfs/dbraw/zinc/96/46/45/1104964645.db2.gz UHWUPLRSQLXTFA-UHFFFAOYSA-N 2 1 313.445 3.486 20 0 DGADMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001275956092 1104967491 /nfs/dbraw/zinc/96/74/91/1104967491.db2.gz FGICZORPZRJWIS-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001275956092 1104967493 /nfs/dbraw/zinc/96/74/93/1104967493.db2.gz FGICZORPZRJWIS-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001275956092 1104967497 /nfs/dbraw/zinc/96/74/97/1104967497.db2.gz FGICZORPZRJWIS-IYBDPMFKSA-N 2 1 317.452 3.307 20 0 DGADMP C[C@@H]1CC(C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)C[C@@H](C)O1 ZINC001276017856 1104988922 /nfs/dbraw/zinc/98/89/22/1104988922.db2.gz GANIEKMHRXEIQV-HZPDHXFCSA-N 2 1 306.494 3.140 20 0 DGADMP C[C@@H]1CC(C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)C[C@@H](C)O1 ZINC001276017856 1104988927 /nfs/dbraw/zinc/98/89/27/1104988927.db2.gz GANIEKMHRXEIQV-HZPDHXFCSA-N 2 1 306.494 3.140 20 0 DGADMP c1[nH]c2cnccc2c1C[N@@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276049384 1105005417 /nfs/dbraw/zinc/00/54/17/1105005417.db2.gz VQKVICSHERPAJA-UHFFFAOYSA-N 2 1 324.472 3.403 20 0 DGADMP Cc1n[nH]cc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276068151 1105007802 /nfs/dbraw/zinc/00/78/02/1105007802.db2.gz LGJVBNXPBVNQMF-UHFFFAOYSA-N 2 1 316.493 3.339 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1N ZINC000719899296 1105033123 /nfs/dbraw/zinc/03/31/23/1105033123.db2.gz YQQLDFMXPFRZFZ-WOJBJXKFSA-N 2 1 315.505 3.100 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000719951444 1105044843 /nfs/dbraw/zinc/04/48/43/1105044843.db2.gz AJLNBIHLXQZDCZ-UFYCRDLUSA-N 2 1 315.505 3.243 20 0 DGADMP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276257743 1105064984 /nfs/dbraw/zinc/06/49/84/1105064984.db2.gz RGNNEOBOXSWZTG-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276257743 1105064992 /nfs/dbraw/zinc/06/49/92/1105064992.db2.gz RGNNEOBOXSWZTG-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP Cc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276257743 1105065000 /nfs/dbraw/zinc/06/50/00/1105065000.db2.gz RGNNEOBOXSWZTG-HDICACEKSA-N 2 1 313.489 3.476 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cccc3ccoc32)no1 ZINC001248194803 1105065432 /nfs/dbraw/zinc/06/54/32/1105065432.db2.gz NSXXNSBQUWAYSO-AWEZNQCLSA-N 2 1 314.389 3.215 20 0 DGADMP CCOc1cc(C)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001250171489 1105458174 /nfs/dbraw/zinc/45/81/74/1105458174.db2.gz OQIRTOMIHSZENP-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP C[NH+]1CCC(C2CC[NH+](Cc3n[nH]c4ccccc43)CC2)CC1 ZINC001137348837 1105494425 /nfs/dbraw/zinc/49/44/25/1105494425.db2.gz RKHGZXWIUAEQMC-UHFFFAOYSA-N 2 1 312.461 3.117 20 0 DGADMP Cc1ccc(Br)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001137386260 1105511214 /nfs/dbraw/zinc/51/12/14/1105511214.db2.gz XKNMMBFKHHDWQD-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP CC[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917867 1105855607 /nfs/dbraw/zinc/85/56/07/1105855607.db2.gz ZYZRNFSLQLTPGI-HXUWFJFHSA-N 2 1 316.489 3.278 20 0 DGADMP CC[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917867 1105855614 /nfs/dbraw/zinc/85/56/14/1105855614.db2.gz ZYZRNFSLQLTPGI-HXUWFJFHSA-N 2 1 316.489 3.278 20 0 DGADMP CC[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917867 1105855622 /nfs/dbraw/zinc/85/56/22/1105855622.db2.gz ZYZRNFSLQLTPGI-HXUWFJFHSA-N 2 1 316.489 3.278 20 0 DGADMP CC[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252917867 1105855628 /nfs/dbraw/zinc/85/56/28/1105855628.db2.gz ZYZRNFSLQLTPGI-HXUWFJFHSA-N 2 1 316.489 3.278 20 0 DGADMP CCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001253563279 1105959295 /nfs/dbraw/zinc/95/92/95/1105959295.db2.gz JYUIZWZGPXMUPV-IHPCNDPISA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)[C@H]1CCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254041606 1106012648 /nfs/dbraw/zinc/01/26/48/1106012648.db2.gz MJSKWZZGLXDIBO-LJQANCHMSA-N 2 1 316.489 3.134 20 0 DGADMP OC1(C[N@H+]2CCCCC23CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001254039504 1106012980 /nfs/dbraw/zinc/01/29/80/1106012980.db2.gz IUTGEFWYLNFOHL-UHFFFAOYSA-N 2 1 314.473 3.032 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC001254111850 1106018810 /nfs/dbraw/zinc/01/88/10/1106018810.db2.gz YMSPSERAWZQWGO-XJKSGUPXSA-N 2 1 310.869 3.211 20 0 DGADMP c1ccc2c(c1)CCC([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)CC2 ZINC001254459116 1106075383 /nfs/dbraw/zinc/07/53/83/1106075383.db2.gz FNJMPGMNLAXEES-UHFFFAOYSA-N 2 1 310.485 3.352 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001254499485 1106083541 /nfs/dbraw/zinc/08/35/41/1106083541.db2.gz HEARBXAZTWNCAB-CQSZACIVSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001254499485 1106083545 /nfs/dbraw/zinc/08/35/45/1106083545.db2.gz HEARBXAZTWNCAB-CQSZACIVSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001254507468 1106085341 /nfs/dbraw/zinc/08/53/41/1106085341.db2.gz LQRWRFQXXHCJOG-RTBURBONSA-N 2 1 320.452 3.367 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001254506751 1106085672 /nfs/dbraw/zinc/08/56/72/1106085672.db2.gz ZBZWZGAEUOTHJG-FZMZJTMJSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001254509699 1106086607 /nfs/dbraw/zinc/08/66/07/1106086607.db2.gz IMGYDJVITDTGRB-KRWDZBQOSA-N 2 1 321.896 3.074 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001254522088 1106089964 /nfs/dbraw/zinc/08/99/64/1106089964.db2.gz BPCNRAXNZOBHIE-MRXNPFEDSA-N 2 1 306.425 3.153 20 0 DGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525721 1106092038 /nfs/dbraw/zinc/09/20/38/1106092038.db2.gz LKEISRRESBGBGS-IBGZPJMESA-N 2 1 314.473 3.094 20 0 DGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525721 1106092043 /nfs/dbraw/zinc/09/20/43/1106092043.db2.gz LKEISRRESBGBGS-IBGZPJMESA-N 2 1 314.473 3.094 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001254531049 1106096238 /nfs/dbraw/zinc/09/62/38/1106096238.db2.gz IXMJKQLFKIXRCW-MRXNPFEDSA-N 2 1 312.457 3.091 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001254531049 1106096241 /nfs/dbraw/zinc/09/62/41/1106096241.db2.gz IXMJKQLFKIXRCW-MRXNPFEDSA-N 2 1 312.457 3.091 20 0 DGADMP O=C1C[C@H]2C[C@H]([N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955281 1106159337 /nfs/dbraw/zinc/15/93/37/1106159337.db2.gz ZNGDQPLHFNJOGQ-XWTMOSNGSA-N 2 1 304.478 3.085 20 0 DGADMP O=C1C[C@H]2C[C@H]([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955281 1106159340 /nfs/dbraw/zinc/15/93/40/1106159340.db2.gz ZNGDQPLHFNJOGQ-XWTMOSNGSA-N 2 1 304.478 3.085 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C4CCSCC4)C3)C2)cc1 ZINC001255093917 1106176904 /nfs/dbraw/zinc/17/69/04/1106176904.db2.gz IVWYVOQSRKRTAY-IBGZPJMESA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C4CCSCC4)C3)C2)cc1 ZINC001255093917 1106176907 /nfs/dbraw/zinc/17/69/07/1106176907.db2.gz IVWYVOQSRKRTAY-IBGZPJMESA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C4CCSCC4)C3)C2)cc1 ZINC001255093917 1106176910 /nfs/dbraw/zinc/17/69/10/1106176910.db2.gz IVWYVOQSRKRTAY-IBGZPJMESA-N 2 1 316.514 3.480 20 0 DGADMP CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001255121595 1106183877 /nfs/dbraw/zinc/18/38/77/1106183877.db2.gz DODOVTQEGBDOPI-REPLKXPHSA-N 2 1 314.473 3.341 20 0 DGADMP CC(C)N([C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001255121298 1106184231 /nfs/dbraw/zinc/18/42/31/1106184231.db2.gz YHCPIGIYBVGGDQ-FQEVSTJZSA-N 2 1 315.505 3.066 20 0 DGADMP CC(C)N([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001255121298 1106184233 /nfs/dbraw/zinc/18/42/33/1106184233.db2.gz YHCPIGIYBVGGDQ-FQEVSTJZSA-N 2 1 315.505 3.066 20 0 DGADMP O=C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255126463 1106185458 /nfs/dbraw/zinc/18/54/58/1106185458.db2.gz MNFLYCLMQUGFGW-LDLYASANSA-N 2 1 312.457 3.283 20 0 DGADMP O=C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255126463 1106185459 /nfs/dbraw/zinc/18/54/59/1106185459.db2.gz MNFLYCLMQUGFGW-LDLYASANSA-N 2 1 312.457 3.283 20 0 DGADMP CN(CCC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137774 1106187427 /nfs/dbraw/zinc/18/74/27/1106187427.db2.gz XDLPORIZHMBOGT-PMOLBWCYSA-N 2 1 315.505 3.066 20 0 DGADMP CCN(CC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255138001 1106188455 /nfs/dbraw/zinc/18/84/55/1106188455.db2.gz ZNWDAJJGFQQLKJ-ACDBMABISA-N 2 1 315.505 3.066 20 0 DGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@@H]1CCSC1 ZINC001255273687 1106213396 /nfs/dbraw/zinc/21/33/96/1106213396.db2.gz CVQZFACEFXXWRQ-KVAWTWKZSA-N 2 1 322.477 3.068 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255347332 1106228061 /nfs/dbraw/zinc/22/80/61/1106228061.db2.gz CKEIACNPJOMIJE-VQHPVUNQSA-N 2 1 310.482 3.089 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255376291 1106235489 /nfs/dbraw/zinc/23/54/89/1106235489.db2.gz AXYGONTVOGCNHI-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255376291 1106235493 /nfs/dbraw/zinc/23/54/93/1106235493.db2.gz AXYGONTVOGCNHI-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CC[NH+]1CCC[C@H]1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376291 1106235500 /nfs/dbraw/zinc/23/55/00/1106235500.db2.gz AXYGONTVOGCNHI-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CCN1CCC[C@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255376291 1106235506 /nfs/dbraw/zinc/23/55/06/1106235506.db2.gz AXYGONTVOGCNHI-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP CCN1CCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376291 1106235510 /nfs/dbraw/zinc/23/55/10/1106235510.db2.gz AXYGONTVOGCNHI-PMACEKPBSA-N 2 1 315.505 3.115 20 0 DGADMP O[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255374787 1106235570 /nfs/dbraw/zinc/23/55/70/1106235570.db2.gz CELKRXSBGYDXPP-LEWJYISDSA-N 2 1 324.468 3.364 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](NCC[NH+]3CCCCC3)CC2)cc1 ZINC001255375231 1106235951 /nfs/dbraw/zinc/23/59/51/1106235951.db2.gz FGGQYUDNVYYVCB-HXUWFJFHSA-N 2 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCN3CCCCC3)CC2)cc1 ZINC001255375231 1106235956 /nfs/dbraw/zinc/23/59/56/1106235956.db2.gz FGGQYUDNVYYVCB-HXUWFJFHSA-N 2 1 315.505 3.117 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCN3CCCCC3)CC2)cc1 ZINC001255375231 1106235960 /nfs/dbraw/zinc/23/59/60/1106235960.db2.gz FGGQYUDNVYYVCB-HXUWFJFHSA-N 2 1 315.505 3.117 20 0 DGADMP CN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383528 1106237751 /nfs/dbraw/zinc/23/77/51/1106237751.db2.gz LATGYQLIMWQOEU-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383528 1106237752 /nfs/dbraw/zinc/23/77/52/1106237752.db2.gz LATGYQLIMWQOEU-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255383528 1106237757 /nfs/dbraw/zinc/23/77/57/1106237757.db2.gz LATGYQLIMWQOEU-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383528 1106237761 /nfs/dbraw/zinc/23/77/61/1106237761.db2.gz LATGYQLIMWQOEU-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383528 1106237765 /nfs/dbraw/zinc/23/77/65/1106237765.db2.gz LATGYQLIMWQOEU-WOJBJXKFSA-N 2 1 315.505 3.115 20 0 DGADMP Cn1cc(C2(N[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cn1 ZINC001255385352 1106238678 /nfs/dbraw/zinc/23/86/78/1106238678.db2.gz HCISRXPCBGHRIF-LJQANCHMSA-N 2 1 324.472 3.054 20 0 DGADMP Cn1cc(C2([NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cn1 ZINC001255385352 1106238682 /nfs/dbraw/zinc/23/86/82/1106238682.db2.gz HCISRXPCBGHRIF-LJQANCHMSA-N 2 1 324.472 3.054 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388448 1106239164 /nfs/dbraw/zinc/23/91/64/1106239164.db2.gz ZUUXECSDLFVCBE-SFHVURJKSA-N 2 1 313.445 3.436 20 0 DGADMP Cc1noc(C)c1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388448 1106239167 /nfs/dbraw/zinc/23/91/67/1106239167.db2.gz ZUUXECSDLFVCBE-SFHVURJKSA-N 2 1 313.445 3.436 20 0 DGADMP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)O1 ZINC001255388256 1106239206 /nfs/dbraw/zinc/23/92/06/1106239206.db2.gz XQLUKIGPPLMODJ-ZWKOTPCHSA-N 2 1 302.462 3.198 20 0 DGADMP CCCOCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392693 1106239319 /nfs/dbraw/zinc/23/93/19/1106239319.db2.gz HXNPNYBGWFOURV-LJQANCHMSA-N 2 1 304.478 3.447 20 0 DGADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389358 1106239864 /nfs/dbraw/zinc/23/98/64/1106239864.db2.gz LTSDKVNDZJWNBA-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397020 1106240771 /nfs/dbraw/zinc/24/07/71/1106240771.db2.gz CUUHFOFDPIOZRU-ZIFCJYIRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397020 1106240772 /nfs/dbraw/zinc/24/07/72/1106240772.db2.gz CUUHFOFDPIOZRU-ZIFCJYIRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397020 1106240773 /nfs/dbraw/zinc/24/07/73/1106240773.db2.gz CUUHFOFDPIOZRU-ZIFCJYIRSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255397020 1106240774 /nfs/dbraw/zinc/24/07/74/1106240774.db2.gz CUUHFOFDPIOZRU-ZIFCJYIRSA-N 2 1 302.462 3.150 20 0 DGADMP CC(C)N([C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C[NH3+] ZINC001255398201 1106242408 /nfs/dbraw/zinc/24/24/08/1106242408.db2.gz TVHVMFCRLFHREM-LJQANCHMSA-N 2 1 317.521 3.489 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001255401515 1106244196 /nfs/dbraw/zinc/24/41/96/1106244196.db2.gz WDDDRIRFNVCRNN-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001255401515 1106244199 /nfs/dbraw/zinc/24/41/99/1106244199.db2.gz WDDDRIRFNVCRNN-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001255401515 1106244203 /nfs/dbraw/zinc/24/42/03/1106244203.db2.gz WDDDRIRFNVCRNN-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP C[NH+](C)[C@@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255401855 1106244370 /nfs/dbraw/zinc/24/43/70/1106244370.db2.gz DBSYHYIUOFPQQN-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[N@H+]1CCCN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255399744 1106244678 /nfs/dbraw/zinc/24/46/78/1106244678.db2.gz YURZEKSRYJLWJK-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255399744 1106244680 /nfs/dbraw/zinc/24/46/80/1106244680.db2.gz YURZEKSRYJLWJK-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399744 1106244682 /nfs/dbraw/zinc/24/46/82/1106244682.db2.gz YURZEKSRYJLWJK-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408443 1106246553 /nfs/dbraw/zinc/24/65/53/1106246553.db2.gz MLDHFJYSUGDVCO-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408443 1106246554 /nfs/dbraw/zinc/24/65/54/1106246554.db2.gz MLDHFJYSUGDVCO-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408443 1106246557 /nfs/dbraw/zinc/24/65/57/1106246557.db2.gz MLDHFJYSUGDVCO-RBUKOAKNSA-N 2 1 316.489 3.276 20 0 DGADMP CC[N@H+]1CCN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001255414584 1106247920 /nfs/dbraw/zinc/24/79/20/1106247920.db2.gz ZJTGRKDVIPXSDB-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001255414584 1106247922 /nfs/dbraw/zinc/24/79/22/1106247922.db2.gz ZJTGRKDVIPXSDB-UYAOXDASSA-N 2 1 315.505 3.067 20 0 DGADMP CN1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255422358 1106249252 /nfs/dbraw/zinc/24/92/52/1106249252.db2.gz QQFBZPUAHVDGGF-BZSNNMDCSA-N 2 1 321.896 3.116 20 0 DGADMP C[N@H+]1CCC[C@@H](N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001255467922 1106254791 /nfs/dbraw/zinc/25/47/91/1106254791.db2.gz LUKCGQIAFKCHMP-VAMGGRTRSA-N 2 1 309.457 3.112 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(C)C1 ZINC001255476556 1106256699 /nfs/dbraw/zinc/25/66/99/1106256699.db2.gz FXMLYFUFWQKVQX-UFYCRDLUSA-N 2 1 315.505 3.161 20 0 DGADMP C[N@H+]1CCC[C@H](n2c3ccc(Cl)cc3c3c2CC[NH2+]C3)C1 ZINC001255487939 1106257287 /nfs/dbraw/zinc/25/72/87/1106257287.db2.gz WMVFGLYXOBRNQE-ZDUSSCGKSA-N 2 1 303.837 3.207 20 0 DGADMP COC[C@H](C)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565259 1106270620 /nfs/dbraw/zinc/27/06/20/1106270620.db2.gz NOEWWCZEGAOHMU-JQFCIGGWSA-N 2 1 310.869 3.447 20 0 DGADMP COC[C@H](C)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001255562342 1106270652 /nfs/dbraw/zinc/27/06/52/1106270652.db2.gz VVDUWRQQOJUJSX-HVFKPGDCSA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H](CC(F)(F)F)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001255652884 1106286324 /nfs/dbraw/zinc/28/63/24/1106286324.db2.gz VVAOCCLGMHHBBV-QWHCGFSZSA-N 2 1 322.415 3.339 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668273 1106290988 /nfs/dbraw/zinc/29/09/88/1106290988.db2.gz IYBKMBQAALNHPK-KRWWSPQJSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cccc2c1c(C[NH3+])cn2C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255670771 1106291173 /nfs/dbraw/zinc/29/11/73/1106291173.db2.gz AGPOQHLYOBSRBZ-XYPWUTKMSA-N 2 1 313.445 3.296 20 0 DGADMP COc1ccc2c(C[NH3+])cn(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001255668772 1106291328 /nfs/dbraw/zinc/29/13/28/1106291328.db2.gz MYNGGBXJMOKQFI-XYPWUTKMSA-N 2 1 313.445 3.296 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674277 1106292169 /nfs/dbraw/zinc/29/21/69/1106292169.db2.gz NYINNHBZZLLUET-SUTQANCOSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674277 1106292171 /nfs/dbraw/zinc/29/21/71/1106292171.db2.gz NYINNHBZZLLUET-SUTQANCOSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674277 1106292173 /nfs/dbraw/zinc/29/21/73/1106292173.db2.gz NYINNHBZZLLUET-SUTQANCOSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674277 1106292175 /nfs/dbraw/zinc/29/21/75/1106292175.db2.gz NYINNHBZZLLUET-SUTQANCOSA-N 2 1 322.493 3.057 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255680438 1106293192 /nfs/dbraw/zinc/29/31/92/1106293192.db2.gz UKQIMEIKWSHHOJ-DFNIBXOVSA-N 2 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255680438 1106293197 /nfs/dbraw/zinc/29/31/97/1106293197.db2.gz UKQIMEIKWSHHOJ-DFNIBXOVSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255680438 1106293200 /nfs/dbraw/zinc/29/32/00/1106293200.db2.gz UKQIMEIKWSHHOJ-DFNIBXOVSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255680438 1106293205 /nfs/dbraw/zinc/29/32/05/1106293205.db2.gz UKQIMEIKWSHHOJ-DFNIBXOVSA-N 3 1 307.526 3.054 20 0 DGADMP CC(C)[NH+]1CCC(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255680438 1106293209 /nfs/dbraw/zinc/29/32/09/1106293209.db2.gz UKQIMEIKWSHHOJ-DFNIBXOVSA-N 3 1 307.526 3.054 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255680340 1106293582 /nfs/dbraw/zinc/29/35/82/1106293582.db2.gz OJUOJTCMMCDCIH-ZZJWQFMZSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680340 1106293584 /nfs/dbraw/zinc/29/35/84/1106293584.db2.gz OJUOJTCMMCDCIH-ZZJWQFMZSA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680340 1106293587 /nfs/dbraw/zinc/29/35/87/1106293587.db2.gz OJUOJTCMMCDCIH-ZZJWQFMZSA-N 2 1 314.473 3.463 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCCCCC1)C2 ZINC001255888288 1106338676 /nfs/dbraw/zinc/33/86/76/1106338676.db2.gz DMCCZUYRQTYETA-AZUAARDMSA-N 2 1 320.521 3.390 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCCCCC1)C2 ZINC001255888288 1106338680 /nfs/dbraw/zinc/33/86/80/1106338680.db2.gz DMCCZUYRQTYETA-AZUAARDMSA-N 2 1 320.521 3.390 20 0 DGADMP CC[NH+](CC)CC[C@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940369 1106345028 /nfs/dbraw/zinc/34/50/28/1106345028.db2.gz AVANINCUUSKAPG-AZUAARDMSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255940369 1106345032 /nfs/dbraw/zinc/34/50/32/1106345032.db2.gz AVANINCUUSKAPG-AZUAARDMSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255940369 1106345035 /nfs/dbraw/zinc/34/50/35/1106345035.db2.gz AVANINCUUSKAPG-AZUAARDMSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001255947165 1106346276 /nfs/dbraw/zinc/34/62/76/1106346276.db2.gz OUSAGJUXDZHTHO-KRWDZBQOSA-N 2 1 314.477 3.141 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1cccnc1OC)C1CC1 ZINC001255954569 1106348988 /nfs/dbraw/zinc/34/89/88/1106348988.db2.gz XTTSRLSPLYTSAZ-PBHICJAKSA-N 2 1 305.466 3.251 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H](C)CC[NH+](CC)CC)C1 ZINC001255957618 1106350197 /nfs/dbraw/zinc/35/01/97/1106350197.db2.gz SVGBDZZDOKOANE-WMZOPIPTSA-N 2 1 312.498 3.162 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccncc1OC)C1CC1 ZINC001255955706 1106350230 /nfs/dbraw/zinc/35/02/30/1106350230.db2.gz WZFGTRMGMGSEFB-RDTXWAMCSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001255961467 1106350721 /nfs/dbraw/zinc/35/07/21/1106350721.db2.gz NBDIRWZHYXNORR-MJGOQNOKSA-N 2 1 303.494 3.096 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001255965325 1106351233 /nfs/dbraw/zinc/35/12/33/1106351233.db2.gz ZQPIOACEPDZODP-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001255965325 1106351237 /nfs/dbraw/zinc/35/12/37/1106351237.db2.gz ZQPIOACEPDZODP-PKOBYXMFSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001255968665 1106351774 /nfs/dbraw/zinc/35/17/74/1106351774.db2.gz FDOROGJIXPWFDN-QRVBRYPASA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001255972493 1106352889 /nfs/dbraw/zinc/35/28/89/1106352889.db2.gz SHKHAMHDCKSUSV-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001255972493 1106352893 /nfs/dbraw/zinc/35/28/93/1106352893.db2.gz SHKHAMHDCKSUSV-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP Cc1cc(C)cc(OC[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256066747 1106363189 /nfs/dbraw/zinc/36/31/89/1106363189.db2.gz PBNAIWIDVOLURY-MRXNPFEDSA-N 2 1 302.462 3.287 20 0 DGADMP Clc1cc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)ccn1 ZINC001256069912 1106364135 /nfs/dbraw/zinc/36/41/35/1106364135.db2.gz RGLYGWJOXMWTPV-KRWDZBQOSA-N 2 1 305.853 3.403 20 0 DGADMP COc1ccc(CC2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC001256071913 1106364526 /nfs/dbraw/zinc/36/45/26/1106364526.db2.gz SUFNBFDAAJJOKH-UHFFFAOYSA-N 2 1 314.473 3.377 20 0 DGADMP c1nn(C2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c2ccccc12 ZINC001256080502 1106366872 /nfs/dbraw/zinc/36/68/72/1106366872.db2.gz XVWKYZSQOJILDM-UHFFFAOYSA-N 2 1 324.472 3.300 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001256201477 1106389635 /nfs/dbraw/zinc/38/96/35/1106389635.db2.gz KVUOMZYGTFQBOS-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP C[NH+]1CCC([N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001256205095 1106389827 /nfs/dbraw/zinc/38/98/27/1106389827.db2.gz PSFCJRBLJSHMPB-AZUAARDMSA-N 2 1 314.473 3.119 20 0 DGADMP C[NH+]1CCC([N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001256205095 1106389830 /nfs/dbraw/zinc/38/98/30/1106389830.db2.gz PSFCJRBLJSHMPB-AZUAARDMSA-N 2 1 314.473 3.119 20 0 DGADMP Cc1ccccc1C[N@H+](C1CCN(C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256201730 1106389870 /nfs/dbraw/zinc/38/98/70/1106389870.db2.gz QACIXGONLREDQA-WGSAOQKQSA-N 2 1 315.505 3.161 20 0 DGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CCC(C)C)C2 ZINC001256364646 1106410021 /nfs/dbraw/zinc/41/00/21/1106410021.db2.gz MHNWYBJMFGVYJK-YSIASYRMSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CCC(C)C)C2 ZINC001256364646 1106410022 /nfs/dbraw/zinc/41/00/22/1106410022.db2.gz MHNWYBJMFGVYJK-YSIASYRMSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CCC(C)C)C2 ZINC001256364646 1106410024 /nfs/dbraw/zinc/41/00/24/1106410024.db2.gz MHNWYBJMFGVYJK-YSIASYRMSA-N 2 1 322.537 3.491 20 0 DGADMP C[C@H](Cc1ccccn1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256419982 1106419013 /nfs/dbraw/zinc/41/90/13/1106419013.db2.gz AEEDKVSQZDDRIK-UYAOXDASSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256419982 1106419014 /nfs/dbraw/zinc/41/90/14/1106419014.db2.gz AEEDKVSQZDDRIK-UYAOXDASSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@H](Cc1ccccn1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256419982 1106419015 /nfs/dbraw/zinc/41/90/15/1106419015.db2.gz AEEDKVSQZDDRIK-UYAOXDASSA-N 2 1 323.484 3.467 20 0 DGADMP CCOC1CCC(N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001256446757 1106424276 /nfs/dbraw/zinc/42/42/76/1106424276.db2.gz GAIGBOBYMPWDGX-UHFFFAOYSA-N 2 1 317.477 3.296 20 0 DGADMP C[C@H]1C[C@@H](Nc2ccc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC001256528832 1106433946 /nfs/dbraw/zinc/43/39/46/1106433946.db2.gz MHRCVLKEFVBFIY-RDJZCZTQSA-N 2 1 310.445 3.005 20 0 DGADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC001256529974 1106435292 /nfs/dbraw/zinc/43/52/92/1106435292.db2.gz ZKEHBQPPDOQPKQ-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529974 1106435295 /nfs/dbraw/zinc/43/52/95/1106435295.db2.gz ZKEHBQPPDOQPKQ-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529974 1106435298 /nfs/dbraw/zinc/43/52/98/1106435298.db2.gz ZKEHBQPPDOQPKQ-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H]1CO ZINC001256536309 1106436313 /nfs/dbraw/zinc/43/63/13/1106436313.db2.gz CXZBUOVAZKVRMZ-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H]1CO ZINC001256536309 1106436315 /nfs/dbraw/zinc/43/63/15/1106436315.db2.gz CXZBUOVAZKVRMZ-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1CO ZINC001256536309 1106436317 /nfs/dbraw/zinc/43/63/17/1106436317.db2.gz CXZBUOVAZKVRMZ-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1CO ZINC001256536309 1106436318 /nfs/dbraw/zinc/43/63/18/1106436318.db2.gz CXZBUOVAZKVRMZ-LFGUQSLTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@](C)(O)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542838 1106439964 /nfs/dbraw/zinc/43/99/64/1106439964.db2.gz QONOHBMDCSDTLH-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@](C)(O)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542838 1106439968 /nfs/dbraw/zinc/43/99/68/1106439968.db2.gz QONOHBMDCSDTLH-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542838 1106439970 /nfs/dbraw/zinc/43/99/70/1106439970.db2.gz QONOHBMDCSDTLH-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(O)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542838 1106439972 /nfs/dbraw/zinc/43/99/72/1106439972.db2.gz QONOHBMDCSDTLH-ONCXSQPRSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCOC[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544401 1106440013 /nfs/dbraw/zinc/44/00/13/1106440013.db2.gz YCGQBNPFOJMKIA-LNLFQRSKSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([NH+]2CCOC[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544401 1106440015 /nfs/dbraw/zinc/44/00/15/1106440015.db2.gz YCGQBNPFOJMKIA-LNLFQRSKSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544401 1106440018 /nfs/dbraw/zinc/44/00/18/1106440018.db2.gz YCGQBNPFOJMKIA-LNLFQRSKSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001256544401 1106440021 /nfs/dbraw/zinc/44/00/21/1106440021.db2.gz YCGQBNPFOJMKIA-LNLFQRSKSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@@H]1C[C@H](N2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551133 1106440446 /nfs/dbraw/zinc/44/04/46/1106440446.db2.gz PVUJTDOLPHNHMZ-RLLQIKCJSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552283 1106441065 /nfs/dbraw/zinc/44/10/65/1106441065.db2.gz BDKPCHZNFAAGAU-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552283 1106441066 /nfs/dbraw/zinc/44/10/66/1106441066.db2.gz BDKPCHZNFAAGAU-FRYIKTPZSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552289 1106441176 /nfs/dbraw/zinc/44/11/76/1106441176.db2.gz BDKPCHZNFAAGAU-LEAZDLGRSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001256552289 1106441179 /nfs/dbraw/zinc/44/11/79/1106441179.db2.gz BDKPCHZNFAAGAU-LEAZDLGRSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256554754 1106441873 /nfs/dbraw/zinc/44/18/73/1106441873.db2.gz QHHBAMIVZHMDIF-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256554754 1106441876 /nfs/dbraw/zinc/44/18/76/1106441876.db2.gz QHHBAMIVZHMDIF-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554754 1106441879 /nfs/dbraw/zinc/44/18/79/1106441879.db2.gz QHHBAMIVZHMDIF-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554754 1106441883 /nfs/dbraw/zinc/44/18/83/1106441883.db2.gz QHHBAMIVZHMDIF-MISYRCLQSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cnc2ccccn21 ZINC001256554866 1106441899 /nfs/dbraw/zinc/44/18/99/1106441899.db2.gz NMEZAKPWCADWSX-CQSZACIVSA-N 2 1 300.450 3.248 20 0 DGADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001256556714 1106443338 /nfs/dbraw/zinc/44/33/38/1106443338.db2.gz IOZJLECJBCXKGC-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001256556714 1106443341 /nfs/dbraw/zinc/44/33/41/1106443341.db2.gz IOZJLECJBCXKGC-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001256556714 1106443347 /nfs/dbraw/zinc/44/33/47/1106443347.db2.gz IOZJLECJBCXKGC-QWFCFKBJSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@@H+]1Cc1ccccc1 ZINC001256555075 1106443957 /nfs/dbraw/zinc/44/39/57/1106443957.db2.gz SWWNRCZWJQWIOI-RFZNHBKKSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[N@H+]1Cc1ccccc1 ZINC001256555075 1106443959 /nfs/dbraw/zinc/44/39/59/1106443959.db2.gz SWWNRCZWJQWIOI-RFZNHBKKSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555075 1106443960 /nfs/dbraw/zinc/44/39/60/1106443960.db2.gz SWWNRCZWJQWIOI-RFZNHBKKSA-N 2 1 302.437 3.472 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH+]1Cc1ccccc1 ZINC001256555075 1106443962 /nfs/dbraw/zinc/44/39/62/1106443962.db2.gz SWWNRCZWJQWIOI-RFZNHBKKSA-N 2 1 302.437 3.472 20 0 DGADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001256558977 1106444715 /nfs/dbraw/zinc/44/47/15/1106444715.db2.gz XFGIHEGKYGTFRO-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001256558977 1106444716 /nfs/dbraw/zinc/44/47/16/1106444716.db2.gz XFGIHEGKYGTFRO-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001256558977 1106444717 /nfs/dbraw/zinc/44/47/17/1106444717.db2.gz XFGIHEGKYGTFRO-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C[NH2+]CC2 ZINC001256561660 1106444778 /nfs/dbraw/zinc/44/47/78/1106444778.db2.gz ZDPMVENIDRGYFP-MAUKXSAKSA-N 2 1 324.472 3.063 20 0 DGADMP CCO[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560842 1106444829 /nfs/dbraw/zinc/44/48/29/1106444829.db2.gz TYUNEVKJLWQROJ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560842 1106444830 /nfs/dbraw/zinc/44/48/30/1106444830.db2.gz TYUNEVKJLWQROJ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560842 1106444831 /nfs/dbraw/zinc/44/48/31/1106444831.db2.gz TYUNEVKJLWQROJ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256560842 1106444832 /nfs/dbraw/zinc/44/48/32/1106444832.db2.gz TYUNEVKJLWQROJ-YTQUADARSA-N 2 1 302.462 3.150 20 0 DGADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001256558976 1106445013 /nfs/dbraw/zinc/44/50/13/1106445013.db2.gz XFGIHEGKYGTFRO-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001256558976 1106445017 /nfs/dbraw/zinc/44/50/17/1106445017.db2.gz XFGIHEGKYGTFRO-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001256558976 1106445018 /nfs/dbraw/zinc/44/50/18/1106445018.db2.gz XFGIHEGKYGTFRO-GGPKGHCWSA-N 2 1 315.505 3.066 20 0 DGADMP CCCOc1cccnc1C(=[NH2+])NC1CC[NH+](C(C)(C)C)CC1 ZINC001256567307 1106446905 /nfs/dbraw/zinc/44/69/05/1106446905.db2.gz UAKGGGAGNJNBCB-UHFFFAOYSA-N 2 1 318.465 3.048 20 0 DGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256568915 1106447569 /nfs/dbraw/zinc/44/75/69/1106447569.db2.gz KSEOBDZHEQUYDY-MAEOIBBWSA-N 2 1 309.542 3.492 20 0 DGADMP COc1cncc([C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)c1 ZINC001256568960 1106447703 /nfs/dbraw/zinc/44/77/03/1106447703.db2.gz MGXWFOPVKKTWBK-SFHVURJKSA-N 2 1 317.477 3.394 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569063 1106447753 /nfs/dbraw/zinc/44/77/53/1106447753.db2.gz QGWKTDZALJQKFV-UHFFFAOYSA-N 2 1 318.461 3.153 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569063 1106447756 /nfs/dbraw/zinc/44/77/56/1106447756.db2.gz QGWKTDZALJQKFV-UHFFFAOYSA-N 2 1 318.461 3.153 20 0 DGADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@@H]1C ZINC001256577923 1106449249 /nfs/dbraw/zinc/44/92/49/1106449249.db2.gz YMFURTUTFKHWNL-JKSUJKDBSA-N 2 1 324.509 3.161 20 0 DGADMP OCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001256596812 1106451759 /nfs/dbraw/zinc/45/17/59/1106451759.db2.gz IIODDOOPLWHTGN-NRFANRHFSA-N 2 1 324.468 3.364 20 0 DGADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601949 1106452101 /nfs/dbraw/zinc/45/21/01/1106452101.db2.gz LFSRXRJYFLEOLG-PUZFROQSSA-N 3 1 315.505 3.113 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256608540 1106452659 /nfs/dbraw/zinc/45/26/59/1106452659.db2.gz BFCQSFQTKUHBIG-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CO[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256608540 1106452663 /nfs/dbraw/zinc/45/26/63/1106452663.db2.gz BFCQSFQTKUHBIG-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP FC1(F)C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256605067 1106452962 /nfs/dbraw/zinc/45/29/62/1106452962.db2.gz AHTGSVRFTVOEHW-WBVHZDCISA-N 2 1 306.400 3.238 20 0 DGADMP FC1(F)C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256605067 1106452963 /nfs/dbraw/zinc/45/29/63/1106452963.db2.gz AHTGSVRFTVOEHW-WBVHZDCISA-N 2 1 306.400 3.238 20 0 DGADMP CC[N@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC001256612045 1106453579 /nfs/dbraw/zinc/45/35/79/1106453579.db2.gz CNIYHNNWMZJWDK-UHFFFAOYSA-N 2 1 315.505 3.067 20 0 DGADMP CCCC[NH+](CCCC)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615088 1106454342 /nfs/dbraw/zinc/45/43/42/1106454342.db2.gz VNNQPIAFNFDUBK-YQQQUEKLSA-N 2 1 309.542 3.494 20 0 DGADMP CCCC[NH+](CCCC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615088 1106454344 /nfs/dbraw/zinc/45/43/44/1106454344.db2.gz VNNQPIAFNFDUBK-YQQQUEKLSA-N 3 1 309.542 3.494 20 0 DGADMP CCCC[NH+](CCCC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615088 1106454348 /nfs/dbraw/zinc/45/43/48/1106454348.db2.gz VNNQPIAFNFDUBK-YQQQUEKLSA-N 3 1 309.542 3.494 20 0 DGADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256632326 1106457961 /nfs/dbraw/zinc/45/79/61/1106457961.db2.gz HLEWSTCAGPZIRU-QGZVFWFLSA-N 2 1 304.478 3.264 20 0 DGADMP COc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001256643529 1106460696 /nfs/dbraw/zinc/46/06/96/1106460696.db2.gz NLDCSSMROGEEMK-WMZOPIPTSA-N 2 1 316.489 3.394 20 0 DGADMP C1CC[C@@H]2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CC[C@H]2C1 ZINC001256695938 1106470887 /nfs/dbraw/zinc/47/08/87/1106470887.db2.gz BBWDRWVPGGQAHW-YYZRRKBYSA-N 2 1 306.494 3.142 20 0 DGADMP Cc1cccc(CC[N@H+](C)C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001256696367 1106470898 /nfs/dbraw/zinc/47/08/98/1106470898.db2.gz AWKKHZGZZDFICL-UHFFFAOYSA-N 2 1 316.489 3.113 20 0 DGADMP Clc1ccc2c(c1)C[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256696025 1106470974 /nfs/dbraw/zinc/47/09/74/1106470974.db2.gz UGXLCVOPVLBPAL-UHFFFAOYSA-N 2 1 320.864 3.299 20 0 DGADMP C[C@@H](Cc1ccncc1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001256727342 1106474355 /nfs/dbraw/zinc/47/43/55/1106474355.db2.gz ALWLPIJJUQHQTJ-HNNXBMFYSA-N 2 1 313.420 3.102 20 0 DGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256816149 1106489218 /nfs/dbraw/zinc/48/92/18/1106489218.db2.gz GZDRKGVPJFSHHA-RBUKOAKNSA-N 2 1 302.462 3.323 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256816149 1106489221 /nfs/dbraw/zinc/48/92/21/1106489221.db2.gz GZDRKGVPJFSHHA-RBUKOAKNSA-N 2 1 302.462 3.323 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH+]1CCC(C)([NH3+])CC1 ZINC001256834058 1106493301 /nfs/dbraw/zinc/49/33/01/1106493301.db2.gz VWHSTLKKMSARBD-LBPRGKRZSA-N 2 1 311.267 3.193 20 0 DGADMP Cc1cccc2c1CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256855798 1106498395 /nfs/dbraw/zinc/49/83/95/1106498395.db2.gz WHJDBHHOICAYPR-UHFFFAOYSA-N 2 1 307.441 3.417 20 0 DGADMP c1ccc(CCCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)nc1 ZINC001256901713 1106506199 /nfs/dbraw/zinc/50/61/99/1106506199.db2.gz JIAHRAMKWQGYIT-GOSISDBHSA-N 2 1 301.478 3.401 20 0 DGADMP c1ccc(CCCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)nc1 ZINC001256901713 1106506202 /nfs/dbraw/zinc/50/62/02/1106506202.db2.gz JIAHRAMKWQGYIT-GOSISDBHSA-N 2 1 301.478 3.401 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256906725 1106508077 /nfs/dbraw/zinc/50/80/77/1106508077.db2.gz UOHQKECXPHVMPI-IHPCNDPISA-N 2 1 319.537 3.375 20 0 DGADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906421 1106508447 /nfs/dbraw/zinc/50/84/47/1106508447.db2.gz BDWQLKFETJBEAA-NVXWUHKLSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906421 1106508449 /nfs/dbraw/zinc/50/84/49/1106508449.db2.gz BDWQLKFETJBEAA-NVXWUHKLSA-N 2 1 302.462 3.320 20 0 DGADMP C[NH+]1CCC2(CCN([C@H]3CCC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC001256922568 1106512335 /nfs/dbraw/zinc/51/23/35/1106512335.db2.gz LLQWAXHFQTZVLJ-IBGZPJMESA-N 2 1 319.537 3.201 20 0 DGADMP COC(=O)CC1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256979911 1106520527 /nfs/dbraw/zinc/52/05/27/1106520527.db2.gz FOWHYYOOHVWMPE-QDVFLJBMSA-N 2 1 322.493 3.090 20 0 DGADMP COC(=O)CC1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256979550 1106520561 /nfs/dbraw/zinc/52/05/61/1106520561.db2.gz BWHJIXCZJPMDMD-PBGYJZAOSA-N 2 1 322.493 3.233 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257043000 1106529011 /nfs/dbraw/zinc/52/90/11/1106529011.db2.gz GLIPOOXWHKDZDC-AHCXZYCDSA-N 2 1 322.493 3.233 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001257043001 1106529087 /nfs/dbraw/zinc/52/90/87/1106529087.db2.gz GLIPOOXWHKDZDC-JOCBIADPSA-N 2 1 322.493 3.233 20 0 DGADMP CCOC(=O)c1ccc(C[C@H](C)[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC001257166101 1106547654 /nfs/dbraw/zinc/54/76/54/1106547654.db2.gz CBRQIWLHDKWHEI-INIZCTEOSA-N 2 1 320.477 3.068 20 0 DGADMP COc1cc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)ccn1 ZINC001257212798 1106552774 /nfs/dbraw/zinc/55/27/74/1106552774.db2.gz BMWTZJLACFBBRR-GOSISDBHSA-N 2 1 303.450 3.004 20 0 DGADMP CC(C)[NH+]1CCC(N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001257222194 1106554097 /nfs/dbraw/zinc/55/40/97/1106554097.db2.gz WKTDPPIMNSBEQM-RBUKOAKNSA-N 2 1 307.526 3.198 20 0 DGADMP CCC[C@H](CC)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001257260522 1106557652 /nfs/dbraw/zinc/55/76/52/1106557652.db2.gz QIENHQWPHPTXEF-SFHVURJKSA-N 2 1 318.509 3.429 20 0 DGADMP CCC[C@@H](CC)[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001257260558 1106558236 /nfs/dbraw/zinc/55/82/36/1106558236.db2.gz TXZORQADPWWRJF-QGZVFWFLSA-N 2 1 324.509 3.305 20 0 DGADMP CCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001257310109 1106565154 /nfs/dbraw/zinc/56/51/54/1106565154.db2.gz QHYNJUKPQWAPAH-MRXNPFEDSA-N 2 1 304.478 3.480 20 0 DGADMP CCC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001257318523 1106565952 /nfs/dbraw/zinc/56/59/52/1106565952.db2.gz CZIVZHXJWVSUDP-INIZCTEOSA-N 2 1 306.450 3.135 20 0 DGADMP CCC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001257318523 1106565955 /nfs/dbraw/zinc/56/59/55/1106565955.db2.gz CZIVZHXJWVSUDP-INIZCTEOSA-N 2 1 306.450 3.135 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001257380964 1106577525 /nfs/dbraw/zinc/57/75/25/1106577525.db2.gz GIFFLHWPQUEUMR-AEFFLSMTSA-N 2 1 324.509 3.353 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001257380964 1106577526 /nfs/dbraw/zinc/57/75/26/1106577526.db2.gz GIFFLHWPQUEUMR-AEFFLSMTSA-N 2 1 324.509 3.353 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](CCC)CCC[NH+](C)C ZINC001257401922 1106582553 /nfs/dbraw/zinc/58/25/53/1106582553.db2.gz FCLYCAFGLSRTKN-MRXNPFEDSA-N 2 1 300.487 3.162 20 0 DGADMP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257413090 1106584075 /nfs/dbraw/zinc/58/40/75/1106584075.db2.gz SNUPDPSZHIINRV-AQNXPRMDSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001257413090 1106584078 /nfs/dbraw/zinc/58/40/78/1106584078.db2.gz SNUPDPSZHIINRV-AQNXPRMDSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001257439230 1106589114 /nfs/dbraw/zinc/58/91/14/1106589114.db2.gz FDGXUFLHPQIHPI-OAHLLOKOSA-N 2 1 308.491 3.213 20 0 DGADMP CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445987 1106591175 /nfs/dbraw/zinc/59/11/75/1106591175.db2.gz WANZGOMJBCBRHC-RNIPGJKVSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445987 1106591180 /nfs/dbraw/zinc/59/11/80/1106591180.db2.gz WANZGOMJBCBRHC-RNIPGJKVSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445987 1106591184 /nfs/dbraw/zinc/59/11/84/1106591184.db2.gz WANZGOMJBCBRHC-RNIPGJKVSA-N 2 1 301.478 3.412 20 0 DGADMP CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001257445987 1106591187 /nfs/dbraw/zinc/59/11/87/1106591187.db2.gz WANZGOMJBCBRHC-RNIPGJKVSA-N 2 1 301.478 3.412 20 0 DGADMP CCCCC[C@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001257510976 1106600540 /nfs/dbraw/zinc/60/05/40/1106600540.db2.gz TXJLZUNOOKAZJJ-KRWDZBQOSA-N 2 1 318.509 3.306 20 0 DGADMP CCCCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001257519782 1106602096 /nfs/dbraw/zinc/60/20/96/1106602096.db2.gz MXWMMGUYTKEVMV-DLBZAZTESA-N 2 1 324.509 3.305 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@@H]2CCCSC2)CC1 ZINC001257666705 1106616870 /nfs/dbraw/zinc/61/68/70/1106616870.db2.gz PVHBCJHBHNNSGM-BRWVUGGUSA-N 2 1 305.491 3.049 20 0 DGADMP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257665903 1106617108 /nfs/dbraw/zinc/61/71/08/1106617108.db2.gz HRMQDIBOCVLYPE-HNNXBMFYSA-N 2 1 310.894 3.485 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCCSC2)CC3)co1 ZINC001257676826 1106619843 /nfs/dbraw/zinc/61/98/43/1106619843.db2.gz YVVFTMDKGXMJQC-QGZVFWFLSA-N 2 1 320.502 3.463 20 0 DGADMP COC(=O)C1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001257859454 1106635631 /nfs/dbraw/zinc/63/56/31/1106635631.db2.gz KQCPYTJLEAZKHZ-PBGYJZAOSA-N 2 1 322.493 3.233 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(Cl)c2)CC1 ZINC001258003125 1106655779 /nfs/dbraw/zinc/65/57/79/1106655779.db2.gz BIOVTDDECFJKJW-SFHVURJKSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)CN1CCC([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001258003616 1106656139 /nfs/dbraw/zinc/65/61/39/1106656139.db2.gz NRFONKOZTNFGLT-HKUYNNGSSA-N 2 1 309.542 3.240 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2(O)CCC2)CC1 ZINC001258004685 1106656728 /nfs/dbraw/zinc/65/67/28/1106656728.db2.gz JKZQDPVPVSLOEC-IBGZPJMESA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258013978 1106658304 /nfs/dbraw/zinc/65/83/04/1106658304.db2.gz ASSGTJJUCHGYCA-LJQANCHMSA-N 2 1 320.452 3.399 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258013978 1106658305 /nfs/dbraw/zinc/65/83/05/1106658305.db2.gz ASSGTJJUCHGYCA-LJQANCHMSA-N 2 1 320.452 3.399 20 0 DGADMP CC(C)C[NH+]1CCC(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001258012503 1106658530 /nfs/dbraw/zinc/65/85/30/1106658530.db2.gz XVAJKKIRIIGVOU-HXUWFJFHSA-N 2 1 315.505 3.096 20 0 DGADMP COc1cccc(CC[N@@H+](C)C2CC[NH+](CC(C)C)CC2)c1 ZINC001258017013 1106659251 /nfs/dbraw/zinc/65/92/51/1106659251.db2.gz QCJIDCQILKPYOC-UHFFFAOYSA-N 2 1 304.478 3.290 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258112887 1106675408 /nfs/dbraw/zinc/67/54/08/1106675408.db2.gz JDNGXKRPWSGWIO-BRWVUGGUSA-N 2 1 312.498 3.336 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCc3cccnc3)CC2)cc1 ZINC001258135178 1106679885 /nfs/dbraw/zinc/67/98/85/1106679885.db2.gz RBXLGGMZOAWDRF-UHFFFAOYSA-N 2 1 323.484 3.311 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)C1 ZINC001258151312 1106680732 /nfs/dbraw/zinc/68/07/32/1106680732.db2.gz IYENHDXQWYUCRT-YRWFTTLQSA-N 2 1 316.489 3.433 20 0 DGADMP FCC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258146247 1106681131 /nfs/dbraw/zinc/68/11/31/1106681131.db2.gz UQDRSNSASRBLJV-UHFFFAOYSA-N 2 1 304.453 3.375 20 0 DGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001258167024 1106685136 /nfs/dbraw/zinc/68/51/36/1106685136.db2.gz FLUVYPFDKCZECA-NUJGCVRESA-N 2 1 308.510 3.386 20 0 DGADMP CSCC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258217588 1106699535 /nfs/dbraw/zinc/69/95/35/1106699535.db2.gz QCYVDUGEJXOKJG-HUUCEWRRSA-N 2 1 314.539 3.140 20 0 DGADMP CSCC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258217587 1106699886 /nfs/dbraw/zinc/69/98/86/1106699886.db2.gz QCYVDUGEJXOKJG-GJZGRUSLSA-N 2 1 314.539 3.140 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCN(c2cccc(F)c2)CC1 ZINC001258424219 1106738311 /nfs/dbraw/zinc/73/83/11/1106738311.db2.gz XGEZCTMDLDQACE-UHFFFAOYSA-N 2 1 319.468 3.068 20 0 DGADMP C[C@H](CC1CC1)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001258460770 1106757198 /nfs/dbraw/zinc/75/71/98/1106757198.db2.gz KDXUZWPMRMHOAG-MRXNPFEDSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@H](CC1CC1)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001258460770 1106757206 /nfs/dbraw/zinc/75/72/06/1106757206.db2.gz KDXUZWPMRMHOAG-MRXNPFEDSA-N 2 1 318.461 3.135 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](C3CCN(c4ccccc4)CC3)C2)CC1 ZINC001258515104 1106792365 /nfs/dbraw/zinc/79/23/65/1106792365.db2.gz HBLJTUCZEJTEDF-UHFFFAOYSA-N 2 1 313.489 3.073 20 0 DGADMP CCCC1CCC([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC1 ZINC001258531653 1106803648 /nfs/dbraw/zinc/80/36/48/1106803648.db2.gz AKTAHJXXHJBSAN-UHFFFAOYSA-N 2 1 307.482 3.475 20 0 DGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC(C)(C)C3)c2)CC1 ZINC001258595406 1106834592 /nfs/dbraw/zinc/83/45/92/1106834592.db2.gz VKFKRRALLUAXRI-IBGZPJMESA-N 2 1 315.505 3.102 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258602977 1106843902 /nfs/dbraw/zinc/84/39/02/1106843902.db2.gz FEMIWWSCMWMOPF-QWFCFKBJSA-N 2 1 320.521 3.245 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258602977 1106843917 /nfs/dbraw/zinc/84/39/17/1106843917.db2.gz FEMIWWSCMWMOPF-QWFCFKBJSA-N 2 1 320.521 3.245 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCC(C)(C)C3)C2)C1 ZINC001258602977 1106843932 /nfs/dbraw/zinc/84/39/32/1106843932.db2.gz FEMIWWSCMWMOPF-QWFCFKBJSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258629575 1106866047 /nfs/dbraw/zinc/86/60/47/1106866047.db2.gz CTHWEUPLALWFMD-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258629575 1106866062 /nfs/dbraw/zinc/86/60/62/1106866062.db2.gz CTHWEUPLALWFMD-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258629575 1106866082 /nfs/dbraw/zinc/86/60/82/1106866082.db2.gz CTHWEUPLALWFMD-YTQUADARSA-N 2 1 301.478 3.351 20 0 DGADMP CCCC[C@H](CCC)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001258763475 1106958905 /nfs/dbraw/zinc/95/89/05/1106958905.db2.gz QMQFQTYNJSQYGT-INIZCTEOSA-N 2 1 300.487 3.162 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258774128 1106968739 /nfs/dbraw/zinc/96/87/39/1106968739.db2.gz JDDKFEFUIJWMKF-SFHVURJKSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001258774128 1106968752 /nfs/dbraw/zinc/96/87/52/1106968752.db2.gz JDDKFEFUIJWMKF-SFHVURJKSA-N 2 1 306.425 3.153 20 0 DGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)CC1 ZINC001258777242 1106971666 /nfs/dbraw/zinc/97/16/66/1106971666.db2.gz NEGPTWRWXGAQPZ-SFHVURJKSA-N 2 1 317.477 3.108 20 0 DGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)CC1 ZINC001258777242 1106971672 /nfs/dbraw/zinc/97/16/72/1106971672.db2.gz NEGPTWRWXGAQPZ-SFHVURJKSA-N 2 1 317.477 3.108 20 0 DGADMP COC1(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CCCCCC1 ZINC001474748844 1106996919 /nfs/dbraw/zinc/99/69/19/1106996919.db2.gz SVAPLZJPXZZMHL-BZSNNMDCSA-N 2 1 308.510 3.388 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258886429 1107038102 /nfs/dbraw/zinc/03/81/02/1107038102.db2.gz LAMNTJIVDPVBKJ-BQFCYCMXSA-N 2 1 304.478 3.335 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001258899393 1107046606 /nfs/dbraw/zinc/04/66/06/1107046606.db2.gz KIAYLUMGEYAZCL-IRXDYDNUSA-N 2 1 320.477 3.218 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001258904872 1107052528 /nfs/dbraw/zinc/05/25/28/1107052528.db2.gz RGTHPMBKHCCORS-QGZVFWFLSA-N 2 1 309.542 3.351 20 0 DGADMP CCCOc1cccnc1C(=[NH2+])N[C@H](C)CCC[NH+](CC)CC ZINC001258905618 1107053372 /nfs/dbraw/zinc/05/33/72/1107053372.db2.gz UYIWOSYJFHVYJC-OAHLLOKOSA-N 2 1 320.481 3.296 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)cc1O ZINC001320747157 1107123426 /nfs/dbraw/zinc/12/34/26/1107123426.db2.gz XIHXQHIATBRYSN-USXIJHARSA-N 2 1 320.477 3.184 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001261213240 1107363231 /nfs/dbraw/zinc/36/32/31/1107363231.db2.gz CKKUDULATIJJTP-MOPGFXCFSA-N 2 1 301.478 3.118 20 0 DGADMP CC(C)(C)c1cnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001261483373 1107443049 /nfs/dbraw/zinc/44/30/49/1107443049.db2.gz RFDHOTVWIFWGLJ-UHFFFAOYSA-N 2 1 307.507 3.406 20 0 DGADMP CC1(C)CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919898 1107462862 /nfs/dbraw/zinc/46/28/62/1107462862.db2.gz CGXNPKAPBNNUIA-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919898 1107462873 /nfs/dbraw/zinc/46/28/73/1107462873.db2.gz CGXNPKAPBNNUIA-GOSISDBHSA-N 2 1 316.489 3.398 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)CC[C@@H]1C(F)(F)F ZINC001261836545 1107540911 /nfs/dbraw/zinc/54/09/11/1107540911.db2.gz GDZPBQITVBICLJ-RIEGTJTDSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CC[C@@H]1C(F)(F)F ZINC001261836545 1107540919 /nfs/dbraw/zinc/54/09/19/1107540919.db2.gz GDZPBQITVBICLJ-RIEGTJTDSA-N 2 1 316.342 3.272 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001317693278 1107607314 /nfs/dbraw/zinc/60/73/14/1107607314.db2.gz IYUBMEPIEQEKEC-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001317693278 1107607326 /nfs/dbraw/zinc/60/73/26/1107607326.db2.gz IYUBMEPIEQEKEC-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001317693278 1107607337 /nfs/dbraw/zinc/60/73/37/1107607337.db2.gz IYUBMEPIEQEKEC-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4cnccc4c3)C[C@H]2C1 ZINC001262378499 1107706094 /nfs/dbraw/zinc/70/60/94/1107706094.db2.gz DIXYVRSEHFTKNT-VAMGGRTRSA-N 2 1 309.457 3.397 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(C4CC4)s3)C[C@@H]2C1 ZINC001262379281 1107707596 /nfs/dbraw/zinc/70/75/96/1107707596.db2.gz WMBLGHBUTFDKKF-QLFBSQMISA-N 2 1 305.491 3.183 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC001318228418 1107907288 /nfs/dbraw/zinc/90/72/88/1107907288.db2.gz MOYUNUZGXMYZLZ-HNNXBMFYSA-N 2 1 317.477 3.388 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[nH]n1 ZINC001318346433 1107952604 /nfs/dbraw/zinc/95/26/04/1107952604.db2.gz JCZADSYCVWZXKC-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[nH]n1 ZINC001318346433 1107952609 /nfs/dbraw/zinc/95/26/09/1107952609.db2.gz JCZADSYCVWZXKC-OAHLLOKOSA-N 2 1 312.461 3.240 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631503 1108034451 /nfs/dbraw/zinc/03/44/51/1108034451.db2.gz RMARULNIZYMVAK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631503 1108034465 /nfs/dbraw/zinc/03/44/65/1108034465.db2.gz RMARULNIZYMVAK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631503 1108034479 /nfs/dbraw/zinc/03/44/79/1108034479.db2.gz RMARULNIZYMVAK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC001323672839 1108047851 /nfs/dbraw/zinc/04/78/51/1108047851.db2.gz RWLONNZNCPJXGQ-FXAWDEMLSA-N 2 1 316.489 3.476 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(N)c1 ZINC000380071914 1108053940 /nfs/dbraw/zinc/05/39/40/1108053940.db2.gz QKZSOKWGZFCZSE-ZHALLVOQSA-N 2 1 322.456 3.295 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(N)c1 ZINC000380071914 1108053953 /nfs/dbraw/zinc/05/39/53/1108053953.db2.gz QKZSOKWGZFCZSE-ZHALLVOQSA-N 2 1 322.456 3.295 20 0 DGADMP CC[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)C1CCCCCC1 ZINC001323721032 1108065712 /nfs/dbraw/zinc/06/57/12/1108065712.db2.gz CGNYUJKXBTYOKQ-UHFFFAOYSA-N 2 1 323.525 3.023 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCc3ccc(F)cc3F)C2)CC1 ZINC001323809797 1108090670 /nfs/dbraw/zinc/09/06/70/1108090670.db2.gz YNBPDVJQWXJFFH-MRXNPFEDSA-N 2 1 308.416 3.171 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC001319189533 1108358159 /nfs/dbraw/zinc/35/81/59/1108358159.db2.gz HHTNUISHANFLMB-HZPDHXFCSA-N 2 1 320.477 3.224 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388605167 1108575810 /nfs/dbraw/zinc/57/58/10/1108575810.db2.gz LBELYQXKJLATFB-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1cccc(C[NH3+])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388605167 1108575820 /nfs/dbraw/zinc/57/58/20/1108575820.db2.gz LBELYQXKJLATFB-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CN(Cc1cccc(C[NH3+])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388605167 1108575830 /nfs/dbraw/zinc/57/58/30/1108575830.db2.gz LBELYQXKJLATFB-OAQYLSRUSA-N 2 1 323.484 3.242 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccn2C2CC2)[C@@H](C)C1 ZINC001325118012 1108579215 /nfs/dbraw/zinc/57/92/15/1108579215.db2.gz RNEYKIITHORLBE-QFBILLFUSA-N 2 1 319.493 3.050 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001325320189 1108620892 /nfs/dbraw/zinc/62/08/92/1108620892.db2.gz NZLCUVOLRATAPM-UHFFFAOYSA-N 2 1 310.511 3.049 20 0 DGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001319832926 1108656667 /nfs/dbraw/zinc/65/66/67/1108656667.db2.gz FNIPXUJZENNZBP-MDNKFWRPSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001319832926 1108656672 /nfs/dbraw/zinc/65/66/72/1108656672.db2.gz FNIPXUJZENNZBP-MDNKFWRPSA-N 2 1 315.505 3.284 20 0 DGADMP FC(F)Oc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000389857696 1108662464 /nfs/dbraw/zinc/66/24/64/1108662464.db2.gz DPEGTSALIIZEQK-CQSZACIVSA-N 2 1 310.388 3.252 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001266240526 1109137251 /nfs/dbraw/zinc/13/72/51/1109137251.db2.gz WVBJBHVVAFMJPZ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266240526 1109137253 /nfs/dbraw/zinc/13/72/53/1109137253.db2.gz WVBJBHVVAFMJPZ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266240526 1109137254 /nfs/dbraw/zinc/13/72/54/1109137254.db2.gz WVBJBHVVAFMJPZ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H](C)O ZINC001619905187 1193763143 /nfs/dbraw/zinc/76/31/43/1193763143.db2.gz PWVOYWWZFQSHTL-HNNXBMFYSA-N 2 1 312.885 3.255 20 0 DGADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@H](C)O ZINC001619905187 1193763147 /nfs/dbraw/zinc/76/31/47/1193763147.db2.gz PWVOYWWZFQSHTL-HNNXBMFYSA-N 2 1 312.885 3.255 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC001306932333 1111251891 /nfs/dbraw/zinc/25/18/91/1111251891.db2.gz SFMPIQVURAFFJS-NWDGAFQWSA-N 2 1 301.356 3.197 20 0 DGADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCCC[C@@H]1C ZINC001306932333 1111251893 /nfs/dbraw/zinc/25/18/93/1111251893.db2.gz SFMPIQVURAFFJS-NWDGAFQWSA-N 2 1 301.356 3.197 20 0 DGADMP C[N@@H+]1C[C@]2(C)C[NH+]([C@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977427 1111361951 /nfs/dbraw/zinc/36/19/51/1111361951.db2.gz CDNGTQKTEVEIDU-GBESFXJTSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@H+]1C[C@]2(C)C[NH+]([C@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977427 1111361952 /nfs/dbraw/zinc/36/19/52/1111361952.db2.gz CDNGTQKTEVEIDU-GBESFXJTSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@@H+]([C@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977427 1111361953 /nfs/dbraw/zinc/36/19/53/1111361953.db2.gz CDNGTQKTEVEIDU-GBESFXJTSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+]1C[C@]2(C)C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@]2(C)C1 ZINC001307977427 1111361954 /nfs/dbraw/zinc/36/19/54/1111361954.db2.gz CDNGTQKTEVEIDU-GBESFXJTSA-N 2 1 302.437 3.477 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001308023106 1111367351 /nfs/dbraw/zinc/36/73/51/1111367351.db2.gz FNBVMEDWTAYNOR-QRVBRYPASA-N 2 1 318.505 3.251 20 0 DGADMP CCn1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001308184811 1111392559 /nfs/dbraw/zinc/39/25/59/1111392559.db2.gz QQTXIKHJUHKGMC-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC001308202241 1111396280 /nfs/dbraw/zinc/39/62/80/1111396280.db2.gz FBXYHSWOGVNVBX-OAHLLOKOSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)ncn3C)C1 ZINC001308204240 1111397367 /nfs/dbraw/zinc/39/73/67/1111397367.db2.gz VVZQHBUXOYHCRS-INIZCTEOSA-N 2 1 314.477 3.175 20 0 DGADMP CC(C)c1[nH+]c(CNC[C@H](C)[NH+]2CCCCC2)c2ccccn21 ZINC001308217571 1111399948 /nfs/dbraw/zinc/39/99/48/1111399948.db2.gz OEBGTDHKTIOOBX-INIZCTEOSA-N 2 1 314.477 3.422 20 0 DGADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001308258508 1111406439 /nfs/dbraw/zinc/40/64/39/1111406439.db2.gz INCXKVSWORGTKK-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001308258508 1111406443 /nfs/dbraw/zinc/40/64/43/1111406443.db2.gz INCXKVSWORGTKK-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001308258508 1111406445 /nfs/dbraw/zinc/40/64/45/1111406445.db2.gz INCXKVSWORGTKK-MJGOQNOKSA-N 2 1 303.494 3.143 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C[C@](C)(O)CC)CC1 ZINC001308696388 1111462167 /nfs/dbraw/zinc/46/21/67/1111462167.db2.gz MMUBAJJASFCQRZ-HXUWFJFHSA-N 2 1 318.505 3.382 20 0 DGADMP Clc1cc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c(Cl)s1 ZINC001308966710 1111501393 /nfs/dbraw/zinc/50/13/93/1111501393.db2.gz YQEXGGJMPHZWEV-LLVKDONJSA-N 2 1 305.274 3.486 20 0 DGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000278582641 214252978 /nfs/dbraw/zinc/25/29/78/214252978.db2.gz YSRIHTSWBDSBOA-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278604593 214269798 /nfs/dbraw/zinc/26/97/98/214269798.db2.gz CLEJNBDLLBODGP-RYQLBKOJSA-N 2 1 304.503 3.240 20 0 DGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000278731835 214360456 /nfs/dbraw/zinc/36/04/56/214360456.db2.gz WIRZQIPHUQZDPO-GJZGRUSLSA-N 2 1 310.869 3.492 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000278731835 214360460 /nfs/dbraw/zinc/36/04/60/214360460.db2.gz WIRZQIPHUQZDPO-GJZGRUSLSA-N 2 1 310.869 3.492 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278770451 214388277 /nfs/dbraw/zinc/38/82/77/214388277.db2.gz XVIDJGBECNOSAI-LPHOPBHVSA-N 2 1 302.462 3.073 20 0 DGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070887 529428184 /nfs/dbraw/zinc/42/81/84/529428184.db2.gz ZXRILLIBMIXYNP-OAHLLOKOSA-N 2 1 316.449 3.107 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000309671516 529430075 /nfs/dbraw/zinc/43/00/75/529430075.db2.gz HYTZJIRFTWBLLA-RBUKOAKNSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000132351150 529584787 /nfs/dbraw/zinc/58/47/87/529584787.db2.gz SXEWFBFLVDEOKC-MJGOQNOKSA-N 2 1 302.462 3.056 20 0 DGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000294924823 529666011 /nfs/dbraw/zinc/66/60/11/529666011.db2.gz HDJAPYYBWSFMPL-NXHRZFHOSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000278202279 214020474 /nfs/dbraw/zinc/02/04/74/214020474.db2.gz GSFJQHIKYNQUPK-WOJBJXKFSA-N 2 1 316.489 3.307 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000339074988 282248898 /nfs/dbraw/zinc/24/88/98/282248898.db2.gz OKNYRSHSVUNIAY-IIDMSEBBSA-N 2 1 321.896 3.159 20 0 DGADMP CCc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309796811 529730432 /nfs/dbraw/zinc/73/04/32/529730432.db2.gz IZKLWPCSPCMZDS-QGZVFWFLSA-N 2 1 310.445 3.281 20 0 DGADMP CCc1nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309796811 529730433 /nfs/dbraw/zinc/73/04/33/529730433.db2.gz IZKLWPCSPCMZDS-QGZVFWFLSA-N 2 1 310.445 3.281 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000151783053 529891974 /nfs/dbraw/zinc/89/19/74/529891974.db2.gz VHKQVOHCLKORIV-QRVBRYPASA-N 2 1 316.489 3.302 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000430948648 529959001 /nfs/dbraw/zinc/95/90/01/529959001.db2.gz KRWPEDLYRBLMMW-UHFFFAOYSA-N 2 1 315.486 3.165 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000415123899 529964587 /nfs/dbraw/zinc/96/45/87/529964587.db2.gz BLSCGINPNGZWJQ-UHFFFAOYSA-N 2 1 308.372 3.483 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000415123899 529964588 /nfs/dbraw/zinc/96/45/88/529964588.db2.gz BLSCGINPNGZWJQ-UHFFFAOYSA-N 2 1 308.372 3.483 20 0 DGADMP C[NH2+]CCC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000435878883 529964619 /nfs/dbraw/zinc/96/46/19/529964619.db2.gz HAYDUDIIKRXXDW-UHFFFAOYSA-N 2 1 312.457 3.070 20 0 DGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[C@H]1O ZINC000411409985 529993683 /nfs/dbraw/zinc/99/36/83/529993683.db2.gz VCYXETASGBDBIL-WOJBJXKFSA-N 2 1 316.489 3.265 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000430920983 529993080 /nfs/dbraw/zinc/99/30/80/529993080.db2.gz WVQUUMRRLTWQJP-INIZCTEOSA-N 2 1 304.478 3.294 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCSCc3ccccc3)C2)C1 ZINC000293043466 530059291 /nfs/dbraw/zinc/05/92/91/530059291.db2.gz SOEBWPFEQTUCGD-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCSCc3ccccc3)C2)C1 ZINC000293043466 530059292 /nfs/dbraw/zinc/05/92/92/530059292.db2.gz SOEBWPFEQTUCGD-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCSCc3ccccc3)C2)C1 ZINC000293043466 530059293 /nfs/dbraw/zinc/05/92/93/530059293.db2.gz SOEBWPFEQTUCGD-GOSISDBHSA-N 2 1 304.503 3.338 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCOCc3ccccc3)C2)C1 ZINC000293065316 530059467 /nfs/dbraw/zinc/05/94/67/530059467.db2.gz VBNZXBONSPEIFF-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCOCc3ccccc3)C2)C1 ZINC000293065316 530059468 /nfs/dbraw/zinc/05/94/68/530059468.db2.gz VBNZXBONSPEIFF-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCOCc3ccccc3)C2)C1 ZINC000293065316 530059469 /nfs/dbraw/zinc/05/94/69/530059469.db2.gz VBNZXBONSPEIFF-LJQANCHMSA-N 2 1 302.462 3.011 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000129982558 432012025 /nfs/dbraw/zinc/01/20/25/432012025.db2.gz AZRMZCDHUQCEKK-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP CCOc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OC(F)F ZINC000066404944 432016568 /nfs/dbraw/zinc/01/65/68/432016568.db2.gz JJGHSYARNIALSQ-LBPRGKRZSA-N 2 1 316.392 3.117 20 0 DGADMP CCOCCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272666579 210072414 /nfs/dbraw/zinc/07/24/14/210072414.db2.gz OBRXKWQIGDZAKF-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272648804 210052019 /nfs/dbraw/zinc/05/20/19/210052019.db2.gz JSUZWSQVSCOKEW-NLWGTHIKSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000272614989 210016196 /nfs/dbraw/zinc/01/61/96/210016196.db2.gz WZTUJMADNKOOEI-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000279795298 215151922 /nfs/dbraw/zinc/15/19/22/215151922.db2.gz VQSRTSNBVLIXKT-DAYGRLMNSA-N 2 1 301.434 3.193 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279866079 215192135 /nfs/dbraw/zinc/19/21/35/215192135.db2.gz JEVQUWPKXLOWIJ-HRCADAONSA-N 2 1 320.477 3.127 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000155856791 186118116 /nfs/dbraw/zinc/11/81/16/186118116.db2.gz VXBQQJVQRCPGCM-WBVHZDCISA-N 2 1 314.477 3.055 20 0 DGADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237464818 186293666 /nfs/dbraw/zinc/29/36/66/186293666.db2.gz WMNGYFUKNODBPQ-OAQYLSRUSA-N 2 1 324.468 3.148 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287193160 219370782 /nfs/dbraw/zinc/37/07/82/219370782.db2.gz VYVGKGHNWHTYTQ-IJXRJRJASA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@H](NCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744349 186375686 /nfs/dbraw/zinc/37/56/86/186375686.db2.gz REFTYZCQLIMVBX-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CC(F)(F)C3)CC2)cc1 ZINC000277197774 213360488 /nfs/dbraw/zinc/36/04/88/213360488.db2.gz VLODEBSXCLUBIU-UHFFFAOYSA-N 2 1 312.379 3.220 20 0 DGADMP CC[C@@H](C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1)[NH+]1CCCC1 ZINC000277169367 213341380 /nfs/dbraw/zinc/34/13/80/213341380.db2.gz GRGIZYXBSVTXJU-WBVHZDCISA-N 2 1 320.477 3.186 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000173427928 198213964 /nfs/dbraw/zinc/21/39/64/198213964.db2.gz MBBYDIXPSGWSHV-ZIAGYGMSSA-N 2 1 324.415 3.116 20 0 DGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000130955040 432031108 /nfs/dbraw/zinc/03/11/08/432031108.db2.gz VQOJKUQOMCPDQY-JTQLQIEISA-N 2 1 303.219 3.191 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000067574580 432032735 /nfs/dbraw/zinc/03/27/35/432032735.db2.gz QDGROAXDURMOTI-INIZCTEOSA-N 2 1 317.477 3.340 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000067574580 432032738 /nfs/dbraw/zinc/03/27/38/432032738.db2.gz QDGROAXDURMOTI-INIZCTEOSA-N 2 1 317.477 3.340 20 0 DGADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000067574580 432032740 /nfs/dbraw/zinc/03/27/40/432032740.db2.gz QDGROAXDURMOTI-INIZCTEOSA-N 2 1 317.477 3.340 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000174514640 198345230 /nfs/dbraw/zinc/34/52/30/198345230.db2.gz VVTPVPNQSLUKBB-JSGCOSHPSA-N 2 1 316.367 3.200 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOc1cccc(C)c1 ZINC000163567245 432036196 /nfs/dbraw/zinc/03/61/96/432036196.db2.gz UZGVJZWXDXHJHC-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOc1cccc(C)c1 ZINC000163567245 432036201 /nfs/dbraw/zinc/03/62/01/432036201.db2.gz UZGVJZWXDXHJHC-UHFFFAOYSA-N 2 1 301.434 3.291 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131580651 432042930 /nfs/dbraw/zinc/04/29/30/432042930.db2.gz MCVATTFAOFAFRK-NWDGAFQWSA-N 2 1 305.809 3.164 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000131580651 432042936 /nfs/dbraw/zinc/04/29/36/432042936.db2.gz MCVATTFAOFAFRK-NWDGAFQWSA-N 2 1 305.809 3.164 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c2C1 ZINC000236812118 202022303 /nfs/dbraw/zinc/02/23/03/202022303.db2.gz UCVZWFYAVAZNTH-SFHVURJKSA-N 2 1 323.440 3.441 20 0 DGADMP CC[C@H](CSC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000164060146 432045074 /nfs/dbraw/zinc/04/50/74/432045074.db2.gz RWISBUFCNKPPND-QGZVFWFLSA-N 2 1 306.519 3.425 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c2C1 ZINC000236812118 202022305 /nfs/dbraw/zinc/02/23/05/202022305.db2.gz UCVZWFYAVAZNTH-SFHVURJKSA-N 2 1 323.440 3.441 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000164374793 432047618 /nfs/dbraw/zinc/04/76/18/432047618.db2.gz OUOURCIFAXUUAM-INMHGKMJSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000164374793 432047621 /nfs/dbraw/zinc/04/76/21/432047621.db2.gz OUOURCIFAXUUAM-INMHGKMJSA-N 2 1 321.896 3.239 20 0 DGADMP C[NH+](C)CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132359147 432048275 /nfs/dbraw/zinc/04/82/75/432048275.db2.gz CKZWKQYAUKCFSR-ZDUSSCGKSA-N 2 1 301.356 3.019 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1F ZINC000164616732 432050241 /nfs/dbraw/zinc/05/02/41/432050241.db2.gz HOYGCWHDFIJOMH-ZDUSSCGKSA-N 2 1 305.397 3.470 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(F)c1 ZINC000164596569 432050469 /nfs/dbraw/zinc/05/04/69/432050469.db2.gz VAMSIOZDBWLTTD-ZDUSSCGKSA-N 2 1 305.397 3.470 20 0 DGADMP Cn1c2ccccc2nc1NCC[N@H+]1CCc2sccc2C1 ZINC000179285061 432052324 /nfs/dbraw/zinc/05/23/24/432052324.db2.gz VUQVYLCUSABJSO-UHFFFAOYSA-N 2 1 312.442 3.105 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000165635116 432056105 /nfs/dbraw/zinc/05/61/05/432056105.db2.gz DHQVTHNACQVNQQ-HNNXBMFYSA-N 2 1 309.417 3.118 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(OC)cc2)C1 ZINC000081572783 192294522 /nfs/dbraw/zinc/29/45/22/192294522.db2.gz ITJGKRCGYFUNDB-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000081572783 192294523 /nfs/dbraw/zinc/29/45/23/192294523.db2.gz ITJGKRCGYFUNDB-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000081572783 192294527 /nfs/dbraw/zinc/29/45/27/192294527.db2.gz ITJGKRCGYFUNDB-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236947966 202088189 /nfs/dbraw/zinc/08/81/89/202088189.db2.gz WJRVELPMBXTFFM-YOEHRIQHSA-N 2 1 303.450 3.127 20 0 DGADMP CC[NH+](CC)Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000276912599 213170894 /nfs/dbraw/zinc/17/08/94/213170894.db2.gz KYRXYWXJTRBSHL-UHFFFAOYSA-N 2 1 314.433 3.174 20 0 DGADMP COc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000179637680 432065745 /nfs/dbraw/zinc/06/57/45/432065745.db2.gz CNIVRWNMXHVQPX-CABCVRRESA-N 2 1 306.450 3.147 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000167855057 432066463 /nfs/dbraw/zinc/06/64/63/432066463.db2.gz FXMXCFZGKUQRPR-AOIWGVFYSA-N 2 1 317.521 3.436 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000168680238 432069574 /nfs/dbraw/zinc/06/95/74/432069574.db2.gz GWOGAKXUEQNYPM-SFHVURJKSA-N 2 1 322.493 3.318 20 0 DGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000134017768 432073348 /nfs/dbraw/zinc/07/33/48/432073348.db2.gz BQVRWNJNIGSCIN-HOJAQTOUSA-N 2 1 317.521 3.389 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000179409257 199031264 /nfs/dbraw/zinc/03/12/64/199031264.db2.gz CRBSTDJAQOCWIU-GOSISDBHSA-N 2 1 302.462 3.262 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000134153142 432073948 /nfs/dbraw/zinc/07/39/48/432073948.db2.gz KRRNEGMWDMEEDU-IKGGRYGDSA-N 2 1 321.534 3.205 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000179631469 199067588 /nfs/dbraw/zinc/06/75/88/199067588.db2.gz JFUNOTOIPMNJMG-MRXNPFEDSA-N 2 1 302.462 3.392 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000179631469 199067590 /nfs/dbraw/zinc/06/75/90/199067590.db2.gz JFUNOTOIPMNJMG-MRXNPFEDSA-N 2 1 302.462 3.392 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(OCC)n2)CC1 ZINC000134162580 432074574 /nfs/dbraw/zinc/07/45/74/432074574.db2.gz LEDWXHGPLGYNCW-UHFFFAOYSA-N 2 1 319.493 3.424 20 0 DGADMP CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180105644 199117988 /nfs/dbraw/zinc/11/79/88/199117988.db2.gz GNBBORSNQJUUBF-YQQQUEKLSA-N 2 1 302.462 3.198 20 0 DGADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OCCC(C)C ZINC000237321734 202229474 /nfs/dbraw/zinc/22/94/74/202229474.db2.gz INODOOITRHYHMX-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000180678465 199194961 /nfs/dbraw/zinc/19/49/61/199194961.db2.gz BAOBKPWPAPZWRX-QWHCGFSZSA-N 2 1 316.367 3.157 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000180678465 199194963 /nfs/dbraw/zinc/19/49/63/199194963.db2.gz BAOBKPWPAPZWRX-QWHCGFSZSA-N 2 1 316.367 3.157 20 0 DGADMP CCC(O)(CC)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276615573 213001665 /nfs/dbraw/zinc/00/16/65/213001665.db2.gz HEHGFYBDNPCHSZ-IEBWSBKVSA-N 2 1 318.505 3.428 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058229 237041795 /nfs/dbraw/zinc/04/17/95/237041795.db2.gz VFZMSCDQIKNZJU-ZBFHGGJFSA-N 2 1 310.388 3.252 20 0 DGADMP CCn1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033390 237023067 /nfs/dbraw/zinc/02/30/67/237023067.db2.gz BRKORLCQGJWXDT-YJBOKZPZSA-N 2 1 312.461 3.020 20 0 DGADMP CCn1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000415033390 237023078 /nfs/dbraw/zinc/02/30/78/237023078.db2.gz BRKORLCQGJWXDT-YJBOKZPZSA-N 2 1 312.461 3.020 20 0 DGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415071008 237055477 /nfs/dbraw/zinc/05/54/77/237055477.db2.gz RZZPNKXSGAWRNN-UHFFFAOYSA-N 2 1 304.768 3.173 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CCC[NH2+]C3)s2)cs1 ZINC000415084743 237065917 /nfs/dbraw/zinc/06/59/17/237065917.db2.gz HNBTUAXNLVHCNX-LBPRGKRZSA-N 2 1 307.488 3.064 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000415113882 237086710 /nfs/dbraw/zinc/08/67/10/237086710.db2.gz SBQXHXIZKHFVMT-OAHLLOKOSA-N 2 1 320.433 3.104 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000415113882 237086716 /nfs/dbraw/zinc/08/67/16/237086716.db2.gz SBQXHXIZKHFVMT-OAHLLOKOSA-N 2 1 320.433 3.104 20 0 DGADMP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc2n1 ZINC000187469144 200115579 /nfs/dbraw/zinc/11/55/79/200115579.db2.gz PINHYZFHXHGBEI-UYAOXDASSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc2n1 ZINC000187469144 200115581 /nfs/dbraw/zinc/11/55/81/200115581.db2.gz PINHYZFHXHGBEI-UYAOXDASSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc2n1 ZINC000187469144 200115584 /nfs/dbraw/zinc/11/55/84/200115584.db2.gz PINHYZFHXHGBEI-UYAOXDASSA-N 2 1 309.457 3.459 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000187962324 200184048 /nfs/dbraw/zinc/18/40/48/200184048.db2.gz UVSQCKZMMOOZIS-IBGZPJMESA-N 2 1 321.484 3.140 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187842054 200165067 /nfs/dbraw/zinc/16/50/67/200165067.db2.gz COROSCVRQCLJMP-VQTJNVASSA-N 2 1 316.489 3.197 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]CCSCc2ccccc2)CCCO1 ZINC000281088117 216071183 /nfs/dbraw/zinc/07/11/83/216071183.db2.gz JZDFUSHBAZMBAZ-KRWDZBQOSA-N 2 1 322.518 3.010 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)sc1Br ZINC000423311259 237841211 /nfs/dbraw/zinc/84/12/11/237841211.db2.gz BNSBHPJTYZUHRZ-WCBMZHEXSA-N 2 1 303.269 3.207 20 0 DGADMP C[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226746 238012656 /nfs/dbraw/zinc/01/26/56/238012656.db2.gz HLUYTMCTBKVEQN-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000281260583 216193049 /nfs/dbraw/zinc/19/30/49/216193049.db2.gz WMOQKGUCMHFRTL-RDTXWAMCSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000431833005 238111819 /nfs/dbraw/zinc/11/18/19/238111819.db2.gz IJNAOINFCIXZRN-GOEBONIOSA-N 2 1 321.428 3.423 20 0 DGADMP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000431833005 238111820 /nfs/dbraw/zinc/11/18/20/238111820.db2.gz IJNAOINFCIXZRN-GOEBONIOSA-N 2 1 321.428 3.423 20 0 DGADMP Oc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000433040154 238143909 /nfs/dbraw/zinc/14/39/09/238143909.db2.gz RIEXNERSWBOGCX-IBGZPJMESA-N 2 1 322.452 3.114 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433336777 238156212 /nfs/dbraw/zinc/15/62/12/238156212.db2.gz QMSCUPYHLRVMKX-OAHLLOKOSA-N 2 1 316.449 3.271 20 0 DGADMP Oc1cc(F)cc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000433750008 238165828 /nfs/dbraw/zinc/16/58/28/238165828.db2.gz RLKHCYNZWQMOGR-HNNXBMFYSA-N 2 1 315.392 3.054 20 0 DGADMP Oc1cc(F)cc(CN2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000433750008 238165829 /nfs/dbraw/zinc/16/58/29/238165829.db2.gz RLKHCYNZWQMOGR-HNNXBMFYSA-N 2 1 315.392 3.054 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423268353 283587007 /nfs/dbraw/zinc/58/70/07/283587007.db2.gz GCKKBXZLNLHITM-LIRRHRJNSA-N 2 1 316.420 3.369 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)CC[C@H]21 ZINC000246089462 432093672 /nfs/dbraw/zinc/09/36/72/432093672.db2.gz IMWRMJWZYGYHEO-NVXWUHKLSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CC[C@H]21 ZINC000246089462 432093673 /nfs/dbraw/zinc/09/36/73/432093673.db2.gz IMWRMJWZYGYHEO-NVXWUHKLSA-N 2 1 324.415 3.247 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CC[C@H]21 ZINC000246089462 432093674 /nfs/dbraw/zinc/09/36/74/432093674.db2.gz IMWRMJWZYGYHEO-NVXWUHKLSA-N 2 1 324.415 3.247 20 0 DGADMP c1cc(C[N@@H+](Cc2cccnc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435424888 238304532 /nfs/dbraw/zinc/30/45/32/238304532.db2.gz BPSLUGVZVDSVLV-QGZVFWFLSA-N 2 1 313.470 3.287 20 0 DGADMP c1cc(C[N@@H+](Cc2ccncc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435434650 238304906 /nfs/dbraw/zinc/30/49/06/238304906.db2.gz ZFHASLZFIXMGNT-KRWDZBQOSA-N 2 1 313.470 3.287 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)s2)o1 ZINC000435440047 238306855 /nfs/dbraw/zinc/30/68/55/238306855.db2.gz YXTKYTMBYSDNDI-ZDUSSCGKSA-N 2 1 305.447 3.285 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)s2)o1 ZINC000435440047 238306859 /nfs/dbraw/zinc/30/68/59/238306859.db2.gz YXTKYTMBYSDNDI-ZDUSSCGKSA-N 2 1 305.447 3.285 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193989934 201157476 /nfs/dbraw/zinc/15/74/76/201157476.db2.gz RRNIJYCHWAGKOA-QBPKDAKJSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193989934 201157480 /nfs/dbraw/zinc/15/74/80/201157480.db2.gz RRNIJYCHWAGKOA-QBPKDAKJSA-N 2 1 306.494 3.044 20 0 DGADMP C=Cn1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000194369872 201212388 /nfs/dbraw/zinc/21/23/88/201212388.db2.gz JGTJPOWIEIZDEC-IRXDYDNUSA-N 2 1 324.472 3.230 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000442782397 239123542 /nfs/dbraw/zinc/12/35/42/239123542.db2.gz RCMREFQRIDARRU-OLZOCXBDSA-N 2 1 316.367 3.143 20 0 DGADMP COCC[NH+]1CCC([NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000442880730 239144358 /nfs/dbraw/zinc/14/43/58/239144358.db2.gz ZKSVBZXCLBIYST-UHFFFAOYSA-N 2 1 322.880 3.286 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000442931534 239153924 /nfs/dbraw/zinc/15/39/24/239153924.db2.gz VZLSHZPPVZKAMA-LBPRGKRZSA-N 2 1 307.488 3.432 20 0 DGADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067510 239171026 /nfs/dbraw/zinc/17/10/26/239171026.db2.gz GVUDEIMOPNRLGI-KGLIPLIRSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000443196134 239183681 /nfs/dbraw/zinc/18/36/81/239183681.db2.gz KLFXRGIBAACAQF-BMFAXAFESA-N 2 1 303.494 3.059 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000443196137 239184131 /nfs/dbraw/zinc/18/41/31/239184131.db2.gz KLFXRGIBAACAQF-DWRORGKVSA-N 2 1 303.494 3.059 20 0 DGADMP CCN1CCC([N@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000135122174 432099508 /nfs/dbraw/zinc/09/95/08/432099508.db2.gz QEFWABOUUFYGNC-UHFFFAOYSA-N 2 1 318.461 3.168 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000135122174 432099513 /nfs/dbraw/zinc/09/95/13/432099513.db2.gz QEFWABOUUFYGNC-UHFFFAOYSA-N 2 1 318.461 3.168 20 0 DGADMP CN(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000246161936 432102678 /nfs/dbraw/zinc/10/26/78/432102678.db2.gz DZDBWQYFUJVDTA-LJQANCHMSA-N 2 1 301.478 3.073 20 0 DGADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCC[C@H]1C ZINC000449131224 240030850 /nfs/dbraw/zinc/03/08/50/240030850.db2.gz KXYHIUZNJUHZKJ-SQNIBIBYSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449131181 240031761 /nfs/dbraw/zinc/03/17/61/240031761.db2.gz KOTXWXAGUVNZAR-ZIFCJYIRSA-N 2 1 309.542 3.064 20 0 DGADMP CC(C)COc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449077435 240006599 /nfs/dbraw/zinc/00/65/99/240006599.db2.gz RRNOXWGAJTVWFS-MRXNPFEDSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)COc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449077435 240006601 /nfs/dbraw/zinc/00/66/01/240006601.db2.gz RRNOXWGAJTVWFS-MRXNPFEDSA-N 2 1 302.462 3.295 20 0 DGADMP Cc1cccc(CC[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000449219725 240073842 /nfs/dbraw/zinc/07/38/42/240073842.db2.gz BCYWMGQYQFJTEQ-UHFFFAOYSA-N 2 1 324.472 3.203 20 0 DGADMP COc1cc(F)cc(CN(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000449317858 240127690 /nfs/dbraw/zinc/12/76/90/240127690.db2.gz DXXGZCWQNDKOFE-UHFFFAOYSA-N 2 1 320.408 3.381 20 0 DGADMP COc1cc(F)cc(CN(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000449317858 240127692 /nfs/dbraw/zinc/12/76/92/240127692.db2.gz DXXGZCWQNDKOFE-UHFFFAOYSA-N 2 1 320.408 3.381 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000171141572 432105307 /nfs/dbraw/zinc/10/53/07/432105307.db2.gz HRSSNGDNNIJMKL-CABCVRRESA-N 2 1 306.450 3.086 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560840 240290622 /nfs/dbraw/zinc/29/06/22/240290622.db2.gz QBKGJNACRDNEIG-QFMLELGNSA-N 3 1 319.537 3.244 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000171141689 432105821 /nfs/dbraw/zinc/10/58/21/432105821.db2.gz PZSBLTBWMXURHP-HUUCEWRRSA-N 2 1 306.450 3.086 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000246193780 432106031 /nfs/dbraw/zinc/10/60/31/432106031.db2.gz OFMRLMGGFBPDJR-PKOBYXMFSA-N 2 1 315.505 3.497 20 0 DGADMP COc1cccc(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000135234244 432107503 /nfs/dbraw/zinc/10/75/03/432107503.db2.gz UWKSECQLURTAHI-AGUYFDCRSA-N 2 1 308.853 3.454 20 0 DGADMP COc1cccc(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000135234244 432107507 /nfs/dbraw/zinc/10/75/07/432107507.db2.gz UWKSECQLURTAHI-AGUYFDCRSA-N 2 1 308.853 3.454 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043303 193146619 /nfs/dbraw/zinc/14/66/19/193146619.db2.gz YEORKHBJEMVRKG-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043303 193146621 /nfs/dbraw/zinc/14/66/21/193146621.db2.gz YEORKHBJEMVRKG-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000092043303 193146623 /nfs/dbraw/zinc/14/66/23/193146623.db2.gz YEORKHBJEMVRKG-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000092043303 193146624 /nfs/dbraw/zinc/14/66/24/193146624.db2.gz YEORKHBJEMVRKG-SJORKVTESA-N 2 1 318.461 3.010 20 0 DGADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000092066635 193151470 /nfs/dbraw/zinc/15/14/70/193151470.db2.gz VSLSTRYTGQUVFI-UYAOXDASSA-N 2 1 324.468 3.411 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000092066635 193151472 /nfs/dbraw/zinc/15/14/72/193151472.db2.gz VSLSTRYTGQUVFI-UYAOXDASSA-N 2 1 324.468 3.411 20 0 DGADMP c1ccc2c(c1)C=C(C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CO2 ZINC000092066635 193151473 /nfs/dbraw/zinc/15/14/73/193151473.db2.gz VSLSTRYTGQUVFI-UYAOXDASSA-N 2 1 324.468 3.411 20 0 DGADMP c1ccc2c(c1)C=C(C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CO2 ZINC000092066635 193151476 /nfs/dbraw/zinc/15/14/76/193151476.db2.gz VSLSTRYTGQUVFI-UYAOXDASSA-N 2 1 324.468 3.411 20 0 DGADMP CN(c1ccccc1C[N@@H+](C)CCC1CC1)C1CC[NH+](C)CC1 ZINC000092067161 193152207 /nfs/dbraw/zinc/15/22/07/193152207.db2.gz ZRDMNOXFNCPKKD-UHFFFAOYSA-N 2 1 315.505 3.449 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2F)s1)C[NH+](C)C ZINC000451172938 241030725 /nfs/dbraw/zinc/03/07/25/241030725.db2.gz PZESZXSBYZNAFV-LBPRGKRZSA-N 2 1 307.438 3.237 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451508041 241151317 /nfs/dbraw/zinc/15/13/17/241151317.db2.gz VXBVMGHFFLUFSX-MSOLQXFVSA-N 2 1 313.445 3.165 20 0 DGADMP COc1cc(Cl)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Cl ZINC000271776878 209206815 /nfs/dbraw/zinc/20/68/15/209206815.db2.gz CPOUXBHPAFQISR-UHFFFAOYSA-N 2 1 315.244 3.354 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000246261805 432113130 /nfs/dbraw/zinc/11/31/30/432113130.db2.gz LGQGRFLMDWEBRF-APWZRJJASA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000246261805 432113133 /nfs/dbraw/zinc/11/31/33/432113133.db2.gz LGQGRFLMDWEBRF-APWZRJJASA-N 2 1 313.445 3.434 20 0 DGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000091469888 284001080 /nfs/dbraw/zinc/00/10/80/284001080.db2.gz NUULSZJWNFSWKW-AWEZNQCLSA-N 2 1 311.267 3.189 20 0 DGADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000093597424 284013285 /nfs/dbraw/zinc/01/32/85/284013285.db2.gz SQLIHCZWPUGITE-KRWDZBQOSA-N 2 1 314.473 3.318 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000093597424 284013287 /nfs/dbraw/zinc/01/32/87/284013287.db2.gz SQLIHCZWPUGITE-KRWDZBQOSA-N 2 1 314.473 3.318 20 0 DGADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683337 284013568 /nfs/dbraw/zinc/01/35/68/284013568.db2.gz GFDICAXVHZLEAJ-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683337 284013574 /nfs/dbraw/zinc/01/35/74/284013574.db2.gz GFDICAXVHZLEAJ-SFHVURJKSA-N 2 1 302.462 3.393 20 0 DGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC)c(OC)c2)CC1 ZINC000092165905 193170197 /nfs/dbraw/zinc/17/01/97/193170197.db2.gz CWMFRDGMOFAJLZ-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC)c(OC)c2)CC1 ZINC000092165905 193170198 /nfs/dbraw/zinc/17/01/98/193170198.db2.gz CWMFRDGMOFAJLZ-UHFFFAOYSA-N 2 1 320.477 3.400 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000459394358 243357644 /nfs/dbraw/zinc/35/76/44/243357644.db2.gz STYIHGXLVDACOW-AWEZNQCLSA-N 2 1 318.461 3.371 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459467250 243381025 /nfs/dbraw/zinc/38/10/25/243381025.db2.gz PMJBFYDAISSKDB-UHFFFAOYSA-N 2 1 324.472 3.484 20 0 DGADMP CC(C)(C)c1csc(CC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459416366 243362571 /nfs/dbraw/zinc/36/25/71/243362571.db2.gz XILZJTSVXCHJAR-UHFFFAOYSA-N 2 1 307.507 3.200 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000462841407 243695597 /nfs/dbraw/zinc/69/55/97/243695597.db2.gz PCWVARAZLFPNRK-UZLBHIALSA-N 2 1 316.489 3.401 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000468813732 244067597 /nfs/dbraw/zinc/06/75/97/244067597.db2.gz CBWAJHCUFOKMAO-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396752 284120947 /nfs/dbraw/zinc/12/09/47/284120947.db2.gz LHFJQWQYIMKNBM-WBVHZDCISA-N 2 1 319.493 3.278 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1OCCc2sccc21 ZINC000423130125 299399447 /nfs/dbraw/zinc/39/94/47/299399447.db2.gz MKFIRLCIVSTSDD-TWIYPKMFSA-N 2 1 314.454 3.485 20 0 DGADMP c1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471019843 244201486 /nfs/dbraw/zinc/20/14/86/244201486.db2.gz RRDARKBJVJTKMS-OYRHEFFESA-N 2 1 306.453 3.293 20 0 DGADMP c1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471019843 244201490 /nfs/dbraw/zinc/20/14/90/244201490.db2.gz RRDARKBJVJTKMS-OYRHEFFESA-N 2 1 306.453 3.293 20 0 DGADMP c1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471019843 244201494 /nfs/dbraw/zinc/20/14/94/244201494.db2.gz RRDARKBJVJTKMS-OYRHEFFESA-N 2 1 306.453 3.293 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000471838409 244256717 /nfs/dbraw/zinc/25/67/17/244256717.db2.gz LYDGEVSTSNTVHK-WOJBJXKFSA-N 2 1 316.489 3.085 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839866 244257656 /nfs/dbraw/zinc/25/76/56/244257656.db2.gz PROIVWAVUKJICY-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839866 244257659 /nfs/dbraw/zinc/25/76/59/244257659.db2.gz PROIVWAVUKJICY-MJGOQNOKSA-N 2 1 313.445 3.155 20 0 DGADMP COc1ccc(CCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000472857790 244317306 /nfs/dbraw/zinc/31/73/06/244317306.db2.gz PDYJLPMJNIUNCQ-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccc(CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000472857790 244317307 /nfs/dbraw/zinc/31/73/07/244317307.db2.gz PDYJLPMJNIUNCQ-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP COc1ccc(CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000472857790 244317308 /nfs/dbraw/zinc/31/73/08/244317308.db2.gz PDYJLPMJNIUNCQ-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000119162821 284136327 /nfs/dbraw/zinc/13/63/27/284136327.db2.gz ONKPKYWFWOKJIK-OCCSQVGLSA-N 2 1 316.367 3.405 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000119162821 284136329 /nfs/dbraw/zinc/13/63/29/284136329.db2.gz ONKPKYWFWOKJIK-OCCSQVGLSA-N 2 1 316.367 3.405 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000119162821 284136334 /nfs/dbraw/zinc/13/63/34/284136334.db2.gz ONKPKYWFWOKJIK-OCCSQVGLSA-N 2 1 316.367 3.405 20 0 DGADMP Cc1cccnc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000093169149 193210439 /nfs/dbraw/zinc/21/04/39/193210439.db2.gz VQIVABOLVCUNIQ-SFHVURJKSA-N 2 1 301.478 3.334 20 0 DGADMP Cc1cccnc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000093169149 193210441 /nfs/dbraw/zinc/21/04/41/193210441.db2.gz VQIVABOLVCUNIQ-SFHVURJKSA-N 2 1 301.478 3.334 20 0 DGADMP COCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563817 193268062 /nfs/dbraw/zinc/26/80/62/193268062.db2.gz MFJYFMYGZYGDFQ-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563817 193268064 /nfs/dbraw/zinc/26/80/64/193268064.db2.gz MFJYFMYGZYGDFQ-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683389 193288716 /nfs/dbraw/zinc/28/87/16/193288716.db2.gz HARKQMOUOLQHAC-SFHVURJKSA-N 2 1 318.509 3.218 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683389 193288717 /nfs/dbraw/zinc/28/87/17/193288717.db2.gz HARKQMOUOLQHAC-SFHVURJKSA-N 2 1 318.509 3.218 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093693471 193290913 /nfs/dbraw/zinc/29/09/13/193290913.db2.gz XEIOLLPLFOFBMJ-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093693471 193290914 /nfs/dbraw/zinc/29/09/14/193290914.db2.gz XEIOLLPLFOFBMJ-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP COCCOc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093659949 193285575 /nfs/dbraw/zinc/28/55/75/193285575.db2.gz IJMYQRXGDQLWPC-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093659949 193285576 /nfs/dbraw/zinc/28/55/76/193285576.db2.gz IJMYQRXGDQLWPC-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000093659949 193285577 /nfs/dbraw/zinc/28/55/77/193285577.db2.gz IJMYQRXGDQLWPC-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP COCCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000093659949 193285578 /nfs/dbraw/zinc/28/55/78/193285578.db2.gz IJMYQRXGDQLWPC-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP Cc1nn(C)cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093844504 193318030 /nfs/dbraw/zinc/31/80/30/193318030.db2.gz UGQLWISVNZLMPB-INIZCTEOSA-N 2 1 318.509 3.205 20 0 DGADMP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)CC(C)(C)C[NH3+] ZINC000093874104 193321879 /nfs/dbraw/zinc/32/18/79/193321879.db2.gz FISNOXVEMQKLEY-UHFFFAOYSA-N 2 1 306.784 3.358 20 0 DGADMP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)CC(C)(C)C[NH3+] ZINC000093874104 193321881 /nfs/dbraw/zinc/32/18/81/193321881.db2.gz FISNOXVEMQKLEY-UHFFFAOYSA-N 2 1 306.784 3.358 20 0 DGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000264635166 204042628 /nfs/dbraw/zinc/04/26/28/204042628.db2.gz UTOYIRPTBJKFMM-CYBMUJFWSA-N 2 1 319.474 3.243 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000125732714 284282158 /nfs/dbraw/zinc/28/21/58/284282158.db2.gz LFXLAIPPXFYWFC-SFHVURJKSA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000125732714 284282163 /nfs/dbraw/zinc/28/21/63/284282163.db2.gz LFXLAIPPXFYWFC-SFHVURJKSA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000125732714 284282166 /nfs/dbraw/zinc/28/21/66/284282166.db2.gz LFXLAIPPXFYWFC-SFHVURJKSA-N 3 1 321.553 3.494 20 0 DGADMP FC(F)(F)Oc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126652066 284312415 /nfs/dbraw/zinc/31/24/15/284312415.db2.gz JVNOBYGDYCGKAS-ZIAGYGMSSA-N 2 1 314.351 3.302 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000282603434 217118366 /nfs/dbraw/zinc/11/83/66/217118366.db2.gz HWTWEBMNYZJBAW-UHFFFAOYSA-N 2 1 324.472 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000246392563 432127046 /nfs/dbraw/zinc/12/70/46/432127046.db2.gz BCCWVQIXDNIWQZ-QBPKDAKJSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000246392563 432127048 /nfs/dbraw/zinc/12/70/48/432127048.db2.gz BCCWVQIXDNIWQZ-QBPKDAKJSA-N 2 1 321.534 3.203 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000246392563 432127051 /nfs/dbraw/zinc/12/70/51/432127051.db2.gz BCCWVQIXDNIWQZ-QBPKDAKJSA-N 2 1 321.534 3.203 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268726981 432127369 /nfs/dbraw/zinc/12/73/69/432127369.db2.gz RKBPTCYIAOKYEW-PKOBYXMFSA-N 2 1 304.478 3.444 20 0 DGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268726981 432127373 /nfs/dbraw/zinc/12/73/73/432127373.db2.gz RKBPTCYIAOKYEW-PKOBYXMFSA-N 2 1 304.478 3.444 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC000182633036 284355166 /nfs/dbraw/zinc/35/51/66/284355166.db2.gz FTNUKPCVNDMOTK-HNNXBMFYSA-N 2 1 320.477 3.348 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019905886 182163031 /nfs/dbraw/zinc/16/30/31/182163031.db2.gz RTIMOKGHEUSGBW-UHFFFAOYSA-N 2 1 317.246 3.266 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000020189324 182195774 /nfs/dbraw/zinc/19/57/74/182195774.db2.gz OSSNQTZVLWICIV-UHFFFAOYSA-N 2 1 317.296 3.473 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000246455635 432133149 /nfs/dbraw/zinc/13/31/49/432133149.db2.gz PNKLLRKLMLPXSP-MAUKXSAKSA-N 2 1 304.478 3.293 20 0 DGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493933190 246096503 /nfs/dbraw/zinc/09/65/03/246096503.db2.gz CYKIXAZHRVXQTJ-BSDSXHPESA-N 2 1 320.521 3.434 20 0 DGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493933190 246096505 /nfs/dbraw/zinc/09/65/05/246096505.db2.gz CYKIXAZHRVXQTJ-BSDSXHPESA-N 2 1 320.521 3.434 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000495042575 246226005 /nfs/dbraw/zinc/22/60/05/246226005.db2.gz HJOMTTBUOKMANA-OGWHTMIXSA-N 2 1 304.478 3.330 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000495042575 246226008 /nfs/dbraw/zinc/22/60/08/246226008.db2.gz HJOMTTBUOKMANA-OGWHTMIXSA-N 2 1 304.478 3.330 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000495042577 246226903 /nfs/dbraw/zinc/22/69/03/246226903.db2.gz HJOMTTBUOKMANA-PBWTXFEYSA-N 2 1 304.478 3.330 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000495042577 246226907 /nfs/dbraw/zinc/22/69/07/246226907.db2.gz HJOMTTBUOKMANA-PBWTXFEYSA-N 2 1 304.478 3.330 20 0 DGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000268780713 206952083 /nfs/dbraw/zinc/95/20/83/206952083.db2.gz CYGPKAXFNOSCNP-MRXNPFEDSA-N 2 1 317.433 3.340 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422879983 296310853 /nfs/dbraw/zinc/31/08/53/296310853.db2.gz LFQUTZNSGZMJLE-NCXUSEDFSA-N 3 1 307.526 3.151 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1SC ZINC000268838372 207002284 /nfs/dbraw/zinc/00/22/84/207002284.db2.gz UYDCKPHPVIVLLB-LBPRGKRZSA-N 2 1 305.447 3.273 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000249419096 296313792 /nfs/dbraw/zinc/31/37/92/296313792.db2.gz HELOVJHAEVVQEH-UXHICEINSA-N 2 1 321.553 3.449 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000268852019 207019314 /nfs/dbraw/zinc/01/93/14/207019314.db2.gz WRIIDNLMNTWKND-HZPDHXFCSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422880787 296314294 /nfs/dbraw/zinc/31/42/94/296314294.db2.gz MURKIPRRVAWYRN-ATZDWAIDSA-N 2 1 301.478 3.030 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000268868303 207038164 /nfs/dbraw/zinc/03/81/64/207038164.db2.gz GYGDFFJAQWZKMZ-NSNWQYSKSA-N 2 1 310.869 3.346 20 0 DGADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268873790 207041547 /nfs/dbraw/zinc/04/15/47/207041547.db2.gz JSOJIWHRKXCNNZ-DEYYWGMASA-N 2 1 301.434 3.238 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000268898007 207067295 /nfs/dbraw/zinc/06/72/95/207067295.db2.gz QMVANFKOVSFDOQ-JKSUJKDBSA-N 2 1 302.462 3.488 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000268901052 207069075 /nfs/dbraw/zinc/06/90/75/207069075.db2.gz KZKDONPOIRFSCV-NVXWUHKLSA-N 2 1 320.502 3.050 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)C)cc1 ZINC000268889555 207058308 /nfs/dbraw/zinc/05/83/08/207058308.db2.gz MDPCUYLDYCOAQB-RDTXWAMCSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000268889465 207059207 /nfs/dbraw/zinc/05/92/07/207059207.db2.gz JEIOTFIKLFDILH-IONDEXAJSA-N 2 1 312.457 3.192 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268890897 207060570 /nfs/dbraw/zinc/06/05/70/207060570.db2.gz AESYIGIAJBQGLD-ZIFCJYIRSA-N 2 1 304.478 3.302 20 0 DGADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268890897 207060574 /nfs/dbraw/zinc/06/05/74/207060574.db2.gz AESYIGIAJBQGLD-ZIFCJYIRSA-N 2 1 304.478 3.302 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268926805 207092595 /nfs/dbraw/zinc/09/25/95/207092595.db2.gz YBSRHWCFWIAGEK-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268926805 207092600 /nfs/dbraw/zinc/09/26/00/207092600.db2.gz YBSRHWCFWIAGEK-WDSOQIARSA-N 2 1 304.478 3.180 20 0 DGADMP COc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1OC(F)F ZINC000268985530 207143718 /nfs/dbraw/zinc/14/37/18/207143718.db2.gz ISLVBTZENWVQHW-VXGBXAGGSA-N 2 1 316.392 3.287 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(Br)cs1)C[NH+]1CCCC1 ZINC000057994327 184065698 /nfs/dbraw/zinc/06/56/98/184065698.db2.gz FPKJTRCUBQPYFG-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000268997536 207152889 /nfs/dbraw/zinc/15/28/89/207152889.db2.gz TVGBBKIVDMILLH-NZSAHSFTSA-N 2 1 304.478 3.158 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000269016521 207167455 /nfs/dbraw/zinc/16/74/55/207167455.db2.gz OTIDNYOTLILNCY-AWEZNQCLSA-N 2 1 315.461 3.313 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269025215 207175541 /nfs/dbraw/zinc/17/55/41/207175541.db2.gz RIVHCRDRGXVKFK-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269025215 207175544 /nfs/dbraw/zinc/17/55/44/207175544.db2.gz RIVHCRDRGXVKFK-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP COc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC ZINC000061003131 184159560 /nfs/dbraw/zinc/15/95/60/184159560.db2.gz CMJGZNSHSBJEBV-UHFFFAOYSA-N 2 1 306.450 3.103 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269068876 207218335 /nfs/dbraw/zinc/21/83/35/207218335.db2.gz ZNXPURDMCXQEGN-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000269137542 207267801 /nfs/dbraw/zinc/26/78/01/207267801.db2.gz VLAGYBFRWPNBNC-QGZVFWFLSA-N 2 1 301.459 3.372 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000269137542 207267803 /nfs/dbraw/zinc/26/78/03/207267803.db2.gz VLAGYBFRWPNBNC-QGZVFWFLSA-N 2 1 301.459 3.372 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248879086 285034735 /nfs/dbraw/zinc/03/47/35/285034735.db2.gz NSQURKJOWRKOEF-NVXWUHKLSA-N 2 1 322.468 3.334 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000249128852 285058482 /nfs/dbraw/zinc/05/84/82/285058482.db2.gz XRDLAURNSNYJKE-IXDOHACOSA-N 2 1 308.853 3.244 20 0 DGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336722276 253000198 /nfs/dbraw/zinc/00/01/98/253000198.db2.gz VPKIGTVHQBJRHL-SFHVURJKSA-N 2 1 312.461 3.076 20 0 DGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336722276 253000201 /nfs/dbraw/zinc/00/02/01/253000201.db2.gz VPKIGTVHQBJRHL-SFHVURJKSA-N 2 1 312.461 3.076 20 0 DGADMP Cc1ncccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336724058 253000276 /nfs/dbraw/zinc/00/02/76/253000276.db2.gz ULMPWTZJQZZFRZ-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336724058 253000279 /nfs/dbraw/zinc/00/02/79/253000279.db2.gz ULMPWTZJQZZFRZ-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336724058 253000282 /nfs/dbraw/zinc/00/02/82/253000282.db2.gz ULMPWTZJQZZFRZ-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1O ZINC000336849592 253007007 /nfs/dbraw/zinc/00/70/07/253007007.db2.gz GGSAWRZAYPHNEG-UHFFFAOYSA-N 2 1 306.450 3.003 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337071329 253043475 /nfs/dbraw/zinc/04/34/75/253043475.db2.gz NINVPGRTKHZNDO-UYAOXDASSA-N 2 1 310.441 3.130 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCC4)CC2)oc1C ZINC000337522442 253132603 /nfs/dbraw/zinc/13/26/03/253132603.db2.gz QFLVDRBZWKUBMN-KRWDZBQOSA-N 2 1 317.477 3.426 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000337493009 253126563 /nfs/dbraw/zinc/12/65/63/253126563.db2.gz XDYSVLFVSHNLBI-OWCLPIDISA-N 2 1 308.466 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337493169 253126751 /nfs/dbraw/zinc/12/67/51/253126751.db2.gz AXQSOONQDWVJBS-CXAGYDPISA-N 2 1 303.425 3.169 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCC ZINC000337773048 253172778 /nfs/dbraw/zinc/17/27/78/253172778.db2.gz WEYWKOVYPCDUEX-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCC ZINC000337773048 253172780 /nfs/dbraw/zinc/17/27/80/253172780.db2.gz WEYWKOVYPCDUEX-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196931 253241041 /nfs/dbraw/zinc/24/10/41/253241041.db2.gz OCIACCTVYYBGBI-PXNSSMCTSA-N 2 1 324.472 3.082 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338196931 253241043 /nfs/dbraw/zinc/24/10/43/253241043.db2.gz OCIACCTVYYBGBI-PXNSSMCTSA-N 2 1 324.472 3.082 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338200040 253241632 /nfs/dbraw/zinc/24/16/32/253241632.db2.gz YACXJXIOPFMMEX-AQNXPRMDSA-N 2 1 324.472 3.223 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442878724 533057062 /nfs/dbraw/zinc/05/70/62/533057062.db2.gz UOFOBMQLMMIJOF-OAHLLOKOSA-N 2 1 321.534 3.085 20 0 DGADMP Cc1nnc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000338276368 253255052 /nfs/dbraw/zinc/25/50/52/253255052.db2.gz DURUHDFJZSTIQS-AWEZNQCLSA-N 2 1 322.522 3.496 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C(C2CCC2)C2CCC2)C[C@H](C)O1 ZINC000338673356 253331669 /nfs/dbraw/zinc/33/16/69/253331669.db2.gz OTEIZJLKGPVZQT-IYBDPMFKSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000338939154 253373855 /nfs/dbraw/zinc/37/38/55/253373855.db2.gz OYROLFDXFKTWQG-CALCHBBNSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](CC[NH2+][C@@H](C)CCn1cccn1)[N@@H+](C)Cc1ccccc1 ZINC000158905596 197310484 /nfs/dbraw/zinc/31/04/84/197310484.db2.gz DUYJZZKWKRDZNT-ZWKOTPCHSA-N 2 1 314.477 3.162 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000272007566 209378435 /nfs/dbraw/zinc/37/84/35/209378435.db2.gz FMIVYIXXHMXCPR-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000272007566 209378440 /nfs/dbraw/zinc/37/84/40/209378440.db2.gz FMIVYIXXHMXCPR-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000342562284 254008173 /nfs/dbraw/zinc/00/81/73/254008173.db2.gz HYNCSVMFNSCVGB-FUHWJXTLSA-N 2 1 324.472 3.234 20 0 DGADMP CCc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000342562284 254008175 /nfs/dbraw/zinc/00/81/75/254008175.db2.gz HYNCSVMFNSCVGB-FUHWJXTLSA-N 2 1 324.472 3.234 20 0 DGADMP CC(C)[NH+](CCN(C)c1cc[nH+]cc1Br)C(C)C ZINC000342939746 254077790 /nfs/dbraw/zinc/07/77/90/254077790.db2.gz PVOYEQKGRTUSTD-UHFFFAOYSA-N 2 1 314.271 3.399 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC3(C)C)c2)CCO1 ZINC000342734488 254039438 /nfs/dbraw/zinc/03/94/38/254039438.db2.gz NWCQLXGJMNIVPS-YJBOKZPZSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC3(C)C)c2)CCO1 ZINC000342734488 254039439 /nfs/dbraw/zinc/03/94/39/254039439.db2.gz NWCQLXGJMNIVPS-YJBOKZPZSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC3(C)C)c2)CCO1 ZINC000342734481 254039680 /nfs/dbraw/zinc/03/96/80/254039680.db2.gz NWCQLXGJMNIVPS-QAPCUYQASA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC3(C)C)c2)CCO1 ZINC000342734481 254039683 /nfs/dbraw/zinc/03/96/83/254039683.db2.gz NWCQLXGJMNIVPS-QAPCUYQASA-N 2 1 302.462 3.186 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000342858707 254066542 /nfs/dbraw/zinc/06/65/42/254066542.db2.gz GEDPXCHVIRFBBW-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000342858707 254066546 /nfs/dbraw/zinc/06/65/46/254066546.db2.gz GEDPXCHVIRFBBW-SJORKVTESA-N 2 1 307.482 3.497 20 0 DGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000342865265 254067886 /nfs/dbraw/zinc/06/78/86/254067886.db2.gz UDXDMAIGVCPUPG-BRWVUGGUSA-N 2 1 305.466 3.107 20 0 DGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000342865265 254067887 /nfs/dbraw/zinc/06/78/87/254067887.db2.gz UDXDMAIGVCPUPG-BRWVUGGUSA-N 2 1 305.466 3.107 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000343600843 254166136 /nfs/dbraw/zinc/16/61/36/254166136.db2.gz FKAOEUIYJXUAHG-QGZVFWFLSA-N 2 1 319.424 3.414 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCCn2ccnc2)CC1)CC1CC1 ZINC000343590086 254165122 /nfs/dbraw/zinc/16/51/22/254165122.db2.gz XKLDPXSVZUSTGE-UHFFFAOYSA-N 2 1 318.509 3.107 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)o1 ZINC000343602995 254166777 /nfs/dbraw/zinc/16/67/77/254166777.db2.gz FYTSMUOYOVSXPC-UONOGXRCSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)s2)o1 ZINC000343602995 254166778 /nfs/dbraw/zinc/16/67/78/254166778.db2.gz FYTSMUOYOVSXPC-UONOGXRCSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)s2)o1 ZINC000343602994 254166897 /nfs/dbraw/zinc/16/68/97/254166897.db2.gz FYTSMUOYOVSXPC-KGLIPLIRSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)s2)o1 ZINC000343602994 254166898 /nfs/dbraw/zinc/16/68/98/254166898.db2.gz FYTSMUOYOVSXPC-KGLIPLIRSA-N 2 1 317.458 3.428 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343765429 254185706 /nfs/dbraw/zinc/18/57/06/254185706.db2.gz NURPKRDFTKIKRZ-UHFFFAOYSA-N 2 1 318.509 3.361 20 0 DGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000343835952 254194732 /nfs/dbraw/zinc/19/47/32/254194732.db2.gz NKVUQGODWOKIEV-STQMWFEESA-N 2 1 323.868 3.213 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080328 254222529 /nfs/dbraw/zinc/22/25/29/254222529.db2.gz VACWWBILGNARLV-RCCFBDPRSA-N 2 1 306.494 3.188 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C12CCC2 ZINC000344080328 254222530 /nfs/dbraw/zinc/22/25/30/254222530.db2.gz VACWWBILGNARLV-RCCFBDPRSA-N 2 1 306.494 3.188 20 0 DGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1ccccc1 ZINC000344145625 254231438 /nfs/dbraw/zinc/23/14/38/254231438.db2.gz PGGJMJNFLYKFKK-GOSISDBHSA-N 2 1 303.494 3.097 20 0 DGADMP CCC[N@@H+](CCCc1ccsc1)CCN1CC[NH+](CC)CC1 ZINC000344151769 254232114 /nfs/dbraw/zinc/23/21/14/254232114.db2.gz HEFMWOFHYLVKDL-UHFFFAOYSA-N 2 1 323.550 3.030 20 0 DGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1(C)C ZINC000344173983 254235362 /nfs/dbraw/zinc/23/53/62/254235362.db2.gz PZNJXRURITXCKP-DJIMGWMZSA-N 2 1 307.482 3.401 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@@H+]1C ZINC000344626706 254290415 /nfs/dbraw/zinc/29/04/15/254290415.db2.gz KSNXNIFWOUNWOU-HRSCSKTISA-N 2 1 302.462 3.491 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@H+]1C ZINC000344626706 254290417 /nfs/dbraw/zinc/29/04/17/254290417.db2.gz KSNXNIFWOUNWOU-HRSCSKTISA-N 2 1 302.462 3.491 20 0 DGADMP C[C@@H]1C[C@@H](NCc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686404 254296015 /nfs/dbraw/zinc/29/60/15/254296015.db2.gz RDBCERGDKBMPPZ-NEPJUHHUSA-N 2 1 307.488 3.444 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CCN1C ZINC000344686404 254296017 /nfs/dbraw/zinc/29/60/17/254296017.db2.gz RDBCERGDKBMPPZ-NEPJUHHUSA-N 2 1 307.488 3.444 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000261388030 285191053 /nfs/dbraw/zinc/19/10/53/285191053.db2.gz LRIPJWARQNXFBT-UHFFFAOYSA-N 2 1 304.478 3.487 20 0 DGADMP CO[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000344735649 254300837 /nfs/dbraw/zinc/30/08/37/254300837.db2.gz BDDOBHWROBWFJL-GOSISDBHSA-N 2 1 306.494 3.405 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344768582 254303816 /nfs/dbraw/zinc/30/38/16/254303816.db2.gz TWAKURFUWWZBKV-FXAWDEMLSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344768582 254303817 /nfs/dbraw/zinc/30/38/17/254303817.db2.gz TWAKURFUWWZBKV-FXAWDEMLSA-N 2 1 316.489 3.182 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000344782787 254305197 /nfs/dbraw/zinc/30/51/97/254305197.db2.gz YMKHEUNBHCVACA-IAGOWNOFSA-N 2 1 302.462 3.363 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000344782790 254305476 /nfs/dbraw/zinc/30/54/76/254305476.db2.gz YMKHEUNBHCVACA-IRXDYDNUSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195540 197094406 /nfs/dbraw/zinc/09/44/06/197094406.db2.gz LIVZUQJHWJAAQB-APWZRJJASA-N 2 1 314.477 3.371 20 0 DGADMP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156195540 197094408 /nfs/dbraw/zinc/09/44/08/197094408.db2.gz LIVZUQJHWJAAQB-APWZRJJASA-N 2 1 314.477 3.371 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000155466190 197057290 /nfs/dbraw/zinc/05/72/90/197057290.db2.gz XDLPUDZMORPGAI-OWCLPIDISA-N 2 1 317.477 3.256 20 0 DGADMP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)co2)cc1 ZINC000155102316 197022962 /nfs/dbraw/zinc/02/29/62/197022962.db2.gz KHLPZSZBLOVKQU-NVXWUHKLSA-N 2 1 313.445 3.265 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000154886628 197002038 /nfs/dbraw/zinc/00/20/38/197002038.db2.gz LRFQVGPOZCYGJB-KRWDZBQOSA-N 2 1 304.478 3.373 20 0 DGADMP c1c[nH]c([C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CCCCC2)n1 ZINC000287323735 285240235 /nfs/dbraw/zinc/24/02/35/285240235.db2.gz FQMVRNOYEGUSOV-WMLDXEAASA-N 2 1 313.449 3.080 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(C)(C)CO)cc1 ZINC000294837503 224254986 /nfs/dbraw/zinc/25/49/86/224254986.db2.gz QSZRYYKTEVQTDJ-CQSZACIVSA-N 2 1 301.434 3.240 20 0 DGADMP C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(F)c1 ZINC000120657073 195210173 /nfs/dbraw/zinc/21/01/73/195210173.db2.gz NQSJSZVSROVZEN-DOXZYTNZSA-N 2 1 313.420 3.392 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343096204 285290983 /nfs/dbraw/zinc/29/09/83/285290983.db2.gz MEUBOZSOKJSGJZ-AEFFLSMTSA-N 2 1 322.880 3.154 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000289584607 221085483 /nfs/dbraw/zinc/08/54/83/221085483.db2.gz HOXWBYZHTBUEOZ-CQSZACIVSA-N 2 1 315.314 3.385 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(NC(C)=O)cc1 ZINC000289558746 221066692 /nfs/dbraw/zinc/06/66/92/221066692.db2.gz YKLDAJOKTLYCKC-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(NC(C)=O)cc1 ZINC000289558746 221066695 /nfs/dbraw/zinc/06/66/95/221066695.db2.gz YKLDAJOKTLYCKC-UHFFFAOYSA-N 2 1 305.466 3.199 20 0 DGADMP Cn1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289608423 221100361 /nfs/dbraw/zinc/10/03/61/221100361.db2.gz LCMGGOUISFCVMW-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289608423 221100363 /nfs/dbraw/zinc/10/03/63/221100363.db2.gz LCMGGOUISFCVMW-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000289608423 221100365 /nfs/dbraw/zinc/10/03/65/221100365.db2.gz LCMGGOUISFCVMW-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP Cn1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000289608423 221100366 /nfs/dbraw/zinc/10/03/66/221100366.db2.gz LCMGGOUISFCVMW-FQEVSTJZSA-N 2 1 309.457 3.123 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289714158 221174046 /nfs/dbraw/zinc/17/40/46/221174046.db2.gz CMUOXXUINBWLLR-UHFFFAOYSA-N 2 1 313.323 3.096 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1O ZINC000290001109 221372659 /nfs/dbraw/zinc/37/26/59/221372659.db2.gz ZAPFWNIMLXBXFX-GJZGRUSLSA-N 2 1 306.450 3.316 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1O ZINC000290001109 221372661 /nfs/dbraw/zinc/37/26/61/221372661.db2.gz ZAPFWNIMLXBXFX-GJZGRUSLSA-N 2 1 306.450 3.316 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294995269 224365892 /nfs/dbraw/zinc/36/58/92/224365892.db2.gz HVTFYCIZKHVLDZ-YCPHGPKFSA-N 2 1 310.532 3.301 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294995269 224365894 /nfs/dbraw/zinc/36/58/94/224365894.db2.gz HVTFYCIZKHVLDZ-YCPHGPKFSA-N 2 1 310.532 3.301 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000352534542 285353049 /nfs/dbraw/zinc/35/30/49/285353049.db2.gz HPQOTANNUDOZKN-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000353452537 285359335 /nfs/dbraw/zinc/35/93/35/285359335.db2.gz BYBQODFBWHSEML-GFCCVEGCSA-N 2 1 322.474 3.060 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000353535485 285360185 /nfs/dbraw/zinc/36/01/85/285360185.db2.gz WBFDTBRNFYCASO-LSJNQWAISA-N 2 1 302.462 3.105 20 0 DGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000190945330 285363664 /nfs/dbraw/zinc/36/36/64/285363664.db2.gz PVTLEMFABWNPDF-KSZLIROESA-N 2 1 318.461 3.015 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCOCC3CC3)CC2)cc1 ZINC000121720739 195334648 /nfs/dbraw/zinc/33/46/48/195334648.db2.gz ZADVAJCDGKWETI-UHFFFAOYSA-N 2 1 316.489 3.100 20 0 DGADMP CCOCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121811972 195352650 /nfs/dbraw/zinc/35/26/50/195352650.db2.gz PZAUKAJWJCDUJN-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121811972 195352652 /nfs/dbraw/zinc/35/26/52/195352652.db2.gz PZAUKAJWJCDUJN-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121811972 195352654 /nfs/dbraw/zinc/35/26/54/195352654.db2.gz PZAUKAJWJCDUJN-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121811972 195352656 /nfs/dbraw/zinc/35/26/56/195352656.db2.gz PZAUKAJWJCDUJN-IEBWSBKVSA-N 2 1 304.478 3.398 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC000292848534 533328358 /nfs/dbraw/zinc/32/83/58/533328358.db2.gz SZHPAHIHAUCDKM-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC000292848534 533328365 /nfs/dbraw/zinc/32/83/65/533328365.db2.gz SZHPAHIHAUCDKM-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc2cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)ccc2c1 ZINC000292848534 533328369 /nfs/dbraw/zinc/32/83/69/533328369.db2.gz SZHPAHIHAUCDKM-FQEVSTJZSA-N 2 1 310.441 3.376 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000423371347 533402602 /nfs/dbraw/zinc/40/26/02/533402602.db2.gz VDGLVFDWTWSRSZ-VXGBXAGGSA-N 2 1 302.340 3.378 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1OC(C)C ZINC000442927523 533476804 /nfs/dbraw/zinc/47/68/04/533476804.db2.gz NUIULMGQTJHNSY-HNNXBMFYSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802678 533529501 /nfs/dbraw/zinc/52/95/01/533529501.db2.gz SKWVJXHDIZLQJF-FPPGBKCQSA-N 2 1 316.489 3.443 20 0 DGADMP COc1cccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)c1OC1CCCC1 ZINC000415086354 533513322 /nfs/dbraw/zinc/51/33/22/533513322.db2.gz JOAIHRVTLPRPNC-IBGZPJMESA-N 2 1 318.461 3.106 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415053167 533555229 /nfs/dbraw/zinc/55/52/29/533555229.db2.gz OIBDGEUJTSEIIZ-HOCLYGCPSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415053167 533555231 /nfs/dbraw/zinc/55/52/31/533555231.db2.gz OIBDGEUJTSEIIZ-HOCLYGCPSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc12 ZINC000292770121 533568507 /nfs/dbraw/zinc/56/85/07/533568507.db2.gz KHYDPQUDWKSEQV-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc12 ZINC000292770121 533568511 /nfs/dbraw/zinc/56/85/11/533568511.db2.gz KHYDPQUDWKSEQV-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc12 ZINC000292770121 533568516 /nfs/dbraw/zinc/56/85/16/533568516.db2.gz KHYDPQUDWKSEQV-HXUWFJFHSA-N 2 1 310.441 3.376 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(C)c1OC(F)F ZINC000442919896 533606140 /nfs/dbraw/zinc/60/61/40/533606140.db2.gz KEGKDAUTAOJOAY-CQSZACIVSA-N 2 1 312.404 3.466 20 0 DGADMP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000431833007 533662598 /nfs/dbraw/zinc/66/25/98/533662598.db2.gz IJNAOINFCIXZRN-ZBFHGGJFSA-N 2 1 321.428 3.423 20 0 DGADMP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000431833007 533662607 /nfs/dbraw/zinc/66/26/07/533662607.db2.gz IJNAOINFCIXZRN-ZBFHGGJFSA-N 2 1 321.428 3.423 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000164119789 132129445 /nfs/dbraw/zinc/12/94/45/132129445.db2.gz HYHHYCZKLHXHLK-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000164119789 132129447 /nfs/dbraw/zinc/12/94/47/132129447.db2.gz HYHHYCZKLHXHLK-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357069040 285626271 /nfs/dbraw/zinc/62/62/71/285626271.db2.gz FFKBMSQYVCIRCP-CQSZACIVSA-N 2 1 307.507 3.262 20 0 DGADMP Cc1cnccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000584820273 400109768 /nfs/dbraw/zinc/10/97/68/400109768.db2.gz AKEWQYLEHUORON-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584820273 400109774 /nfs/dbraw/zinc/10/97/74/400109774.db2.gz AKEWQYLEHUORON-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584820273 400109777 /nfs/dbraw/zinc/10/97/77/400109777.db2.gz AKEWQYLEHUORON-LEWJYISDSA-N 2 1 321.468 3.344 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCO1 ZINC000090859200 400080048 /nfs/dbraw/zinc/08/00/48/400080048.db2.gz QQVMTUJGJKGWIO-WOJBJXKFSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610001030 400206438 /nfs/dbraw/zinc/20/64/38/400206438.db2.gz TYZKXNXUKOCJLU-INIZCTEOSA-N 2 1 324.509 3.305 20 0 DGADMP Cc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000092821551 400207304 /nfs/dbraw/zinc/20/73/04/400207304.db2.gz ADZQVMGOMNAKEQ-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000401797724 400291417 /nfs/dbraw/zinc/29/14/17/400291417.db2.gz KOPAXCXORJSLBW-HNNXBMFYSA-N 2 1 320.234 3.002 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000401667591 400291549 /nfs/dbraw/zinc/29/15/49/400291549.db2.gz IUQSLXMVZKRZFU-UHFFFAOYSA-N 2 1 321.424 3.331 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccns1 ZINC000404454915 400295002 /nfs/dbraw/zinc/29/50/02/400295002.db2.gz IUNPVLGKOFJNGB-YOEHRIQHSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404454915 400295005 /nfs/dbraw/zinc/29/50/05/400295005.db2.gz IUNPVLGKOFJNGB-YOEHRIQHSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589641391 400314642 /nfs/dbraw/zinc/31/46/42/400314642.db2.gz JQBOTTYCZZYPCY-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589641391 400314643 /nfs/dbraw/zinc/31/46/43/400314643.db2.gz JQBOTTYCZZYPCY-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589641391 400314644 /nfs/dbraw/zinc/31/46/44/400314644.db2.gz JQBOTTYCZZYPCY-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596093723 400314864 /nfs/dbraw/zinc/31/48/64/400314864.db2.gz FNOCCZGVZSIWGK-DOTOQJQBSA-N 2 1 324.509 3.066 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641087 400315707 /nfs/dbraw/zinc/31/57/07/400315707.db2.gz DQTJXMFFEVVFSI-INIZCTEOSA-N 2 1 314.477 3.175 20 0 DGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000069711563 400339577 /nfs/dbraw/zinc/33/95/77/400339577.db2.gz LEIGLUPWUSFAEE-UHFFFAOYSA-N 2 1 308.809 3.163 20 0 DGADMP COC(=O)c1csc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000602515116 400485046 /nfs/dbraw/zinc/48/50/46/400485046.db2.gz UKNCCQZDPANKRL-CQSZACIVSA-N 2 1 324.490 3.136 20 0 DGADMP CCS[C@@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597017564 400540211 /nfs/dbraw/zinc/54/02/11/400540211.db2.gz WBNQGMOVPCWYLU-QGZVFWFLSA-N 2 1 316.474 3.375 20 0 DGADMP CCS[C@@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597017564 400540216 /nfs/dbraw/zinc/54/02/16/400540216.db2.gz WBNQGMOVPCWYLU-QGZVFWFLSA-N 2 1 316.474 3.375 20 0 DGADMP Clc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517460 400696427 /nfs/dbraw/zinc/69/64/27/400696427.db2.gz XSMFLHQRZGSANY-QGZVFWFLSA-N 2 1 308.853 3.073 20 0 DGADMP CCc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000603517270 400697159 /nfs/dbraw/zinc/69/71/59/400697159.db2.gz LZPCIFRBNGOGNC-OAHLLOKOSA-N 2 1 308.491 3.044 20 0 DGADMP CCCC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000157439196 400717176 /nfs/dbraw/zinc/71/71/76/400717176.db2.gz ADRDBOLTSVFCSV-HOCLYGCPSA-N 2 1 312.498 3.207 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1N1CCCC1 ZINC000170804205 400775463 /nfs/dbraw/zinc/77/54/63/400775463.db2.gz CVPKIWQBFPCWQI-UHFFFAOYSA-N 2 1 301.478 3.205 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1N1CCCC1 ZINC000170804205 400775467 /nfs/dbraw/zinc/77/54/67/400775467.db2.gz CVPKIWQBFPCWQI-UHFFFAOYSA-N 2 1 301.478 3.205 20 0 DGADMP COc1cccc(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000172419046 400825307 /nfs/dbraw/zinc/82/53/07/400825307.db2.gz JIULVQXTNSYORD-LBPRGKRZSA-N 2 1 307.825 3.279 20 0 DGADMP COC[C@@H](C)[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629506864 400949338 /nfs/dbraw/zinc/94/93/38/400949338.db2.gz HKOHBJKMNJSZFA-BEFAXECRSA-N 2 1 302.462 3.010 20 0 DGADMP COC[C@@H](C)[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629506865 400949659 /nfs/dbraw/zinc/94/96/59/400949659.db2.gz HKOHBJKMNJSZFA-DNVCBOLYSA-N 2 1 302.462 3.010 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000598994427 400922722 /nfs/dbraw/zinc/92/27/22/400922722.db2.gz MPVGDNILIBFMPU-KSZLIROESA-N 2 1 324.509 3.210 20 0 DGADMP COC(=O)CC1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000599024136 400931030 /nfs/dbraw/zinc/93/10/30/400931030.db2.gz HNIIUZFRKKGRFA-VMWRSERWSA-N 2 1 324.509 3.208 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000236794576 400981233 /nfs/dbraw/zinc/98/12/33/400981233.db2.gz STYRMRKGHRQTMB-UHFFFAOYSA-N 3 1 315.505 3.246 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@@H]1C(F)(F)F ZINC000629559035 400975176 /nfs/dbraw/zinc/97/51/76/400975176.db2.gz AIFIHMITQCCFRR-GJZGRUSLSA-N 2 1 323.362 3.194 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559140 400975816 /nfs/dbraw/zinc/97/58/16/400975816.db2.gz AGSYZRDRHVTWPK-JSGCOSHPSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559140 400975821 /nfs/dbraw/zinc/97/58/21/400975821.db2.gz AGSYZRDRHVTWPK-JSGCOSHPSA-N 2 1 304.331 3.093 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561903 400978489 /nfs/dbraw/zinc/97/84/89/400978489.db2.gz LHKMGTFINFTZSY-GJZGRUSLSA-N 2 1 300.368 3.208 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561903 400978494 /nfs/dbraw/zinc/97/84/94/400978494.db2.gz LHKMGTFINFTZSY-GJZGRUSLSA-N 2 1 300.368 3.208 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629565554 400979216 /nfs/dbraw/zinc/97/92/16/400979216.db2.gz KIKAQOOPONOYKT-LSDHHAIUSA-N 2 1 300.368 3.078 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586915 401084915 /nfs/dbraw/zinc/08/49/15/401084915.db2.gz BHZNGTVGCUIDME-SJORKVTESA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586915 401084917 /nfs/dbraw/zinc/08/49/17/401084917.db2.gz BHZNGTVGCUIDME-SJORKVTESA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586408 401085014 /nfs/dbraw/zinc/08/50/14/401085014.db2.gz HXWZIPYSVPLRNT-IKGGRYGDSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586408 401085020 /nfs/dbraw/zinc/08/50/20/401085020.db2.gz HXWZIPYSVPLRNT-IKGGRYGDSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586408 401085024 /nfs/dbraw/zinc/08/50/24/401085024.db2.gz HXWZIPYSVPLRNT-IKGGRYGDSA-N 2 1 324.509 3.161 20 0 DGADMP CC(C)(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629656560 401021866 /nfs/dbraw/zinc/02/18/66/401021866.db2.gz OXRFDJOLZKSUII-UKRRQHHQSA-N 2 1 314.395 3.423 20 0 DGADMP CC(C)(C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629656560 401021869 /nfs/dbraw/zinc/02/18/69/401021869.db2.gz OXRFDJOLZKSUII-UKRRQHHQSA-N 2 1 314.395 3.423 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2coc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629657370 401022153 /nfs/dbraw/zinc/02/21/53/401022153.db2.gz WZFLKLHBNQHAGZ-SMDDNHRTSA-N 2 1 312.335 3.392 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629657370 401022159 /nfs/dbraw/zinc/02/21/59/401022159.db2.gz WZFLKLHBNQHAGZ-SMDDNHRTSA-N 2 1 312.335 3.392 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000058061054 401041819 /nfs/dbraw/zinc/04/18/19/401041819.db2.gz KQRBURTVQMQFHY-ZDUSSCGKSA-N 2 1 316.367 3.405 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000058061054 401041825 /nfs/dbraw/zinc/04/18/25/401041825.db2.gz KQRBURTVQMQFHY-ZDUSSCGKSA-N 2 1 316.367 3.405 20 0 DGADMP CC(C)(C)c1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000358231803 286005492 /nfs/dbraw/zinc/00/54/92/286005492.db2.gz BMRZUEKKZKFOAB-HIFRSBDPSA-N 2 1 307.507 3.200 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225337 286003261 /nfs/dbraw/zinc/00/32/61/286003261.db2.gz CPEWGLXHWLNDJV-RDTXWAMCSA-N 2 1 316.470 3.132 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000358225337 286003262 /nfs/dbraw/zinc/00/32/62/286003262.db2.gz CPEWGLXHWLNDJV-RDTXWAMCSA-N 2 1 316.470 3.132 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c(C)n1 ZINC000358251074 286011128 /nfs/dbraw/zinc/01/11/28/286011128.db2.gz QKIKFRIZXDJILX-MAUKXSAKSA-N 2 1 306.498 3.202 20 0 DGADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c(C)n1 ZINC000358251074 286011130 /nfs/dbraw/zinc/01/11/30/286011130.db2.gz QKIKFRIZXDJILX-MAUKXSAKSA-N 2 1 306.498 3.202 20 0 DGADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450434581 286016435 /nfs/dbraw/zinc/01/64/35/286016435.db2.gz DDIZDDZNSONLPZ-RTBURBONSA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@H](Cc1ccccc1)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000450434581 286016436 /nfs/dbraw/zinc/01/64/36/286016436.db2.gz DDIZDDZNSONLPZ-RTBURBONSA-N 2 1 304.478 3.050 20 0 DGADMP CO[C@H](Cc1ccccc1)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000450434581 286016439 /nfs/dbraw/zinc/01/64/39/286016439.db2.gz DDIZDDZNSONLPZ-RTBURBONSA-N 2 1 304.478 3.050 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255553 286012502 /nfs/dbraw/zinc/01/25/02/286012502.db2.gz REOQAMCDVZVCHW-WMZOPIPTSA-N 2 1 324.896 3.474 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000358255553 286012504 /nfs/dbraw/zinc/01/25/04/286012504.db2.gz REOQAMCDVZVCHW-WMZOPIPTSA-N 2 1 324.896 3.474 20 0 DGADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000630060564 401173540 /nfs/dbraw/zinc/17/35/40/401173540.db2.gz MIDPNYUEVAIQMX-UYAOXDASSA-N 2 1 313.489 3.038 20 0 DGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271514277 286022534 /nfs/dbraw/zinc/02/25/34/286022534.db2.gz NPDNXJSQUUCHMN-NBMRYCAZSA-N 2 1 306.425 3.118 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000608061510 401179181 /nfs/dbraw/zinc/17/91/81/401179181.db2.gz XACUMESMRVNOKG-ZOBUZTSGSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000608061510 401179190 /nfs/dbraw/zinc/17/91/90/401179190.db2.gz XACUMESMRVNOKG-ZOBUZTSGSA-N 2 1 320.477 3.445 20 0 DGADMP CCCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000621370861 401189523 /nfs/dbraw/zinc/18/95/23/401189523.db2.gz SYVUOPJPXSDORH-HNNXBMFYSA-N 2 1 308.491 3.044 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1SC ZINC000063917296 401224182 /nfs/dbraw/zinc/22/41/82/401224182.db2.gz LVYIELOLYLJVDW-HNNXBMFYSA-N 2 1 308.491 3.237 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358361097 286041698 /nfs/dbraw/zinc/04/16/98/286041698.db2.gz WOADHWZXMAAQCE-LNLFQRSKSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358361097 286041701 /nfs/dbraw/zinc/04/17/01/286041701.db2.gz WOADHWZXMAAQCE-LNLFQRSKSA-N 2 1 304.478 3.038 20 0 DGADMP CCCc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000621727635 401287272 /nfs/dbraw/zinc/28/72/72/401287272.db2.gz KYSZGLKLCZGHSD-UHFFFAOYSA-N 2 1 323.550 3.158 20 0 DGADMP COC[C@@H](C)[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626132964 401309659 /nfs/dbraw/zinc/30/96/59/401309659.db2.gz DLRJZGUKWAGNJO-DNVCBOLYSA-N 2 1 313.445 3.216 20 0 DGADMP COC[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626132964 401309660 /nfs/dbraw/zinc/30/96/60/401309660.db2.gz DLRJZGUKWAGNJO-DNVCBOLYSA-N 2 1 313.445 3.216 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000622043580 401338433 /nfs/dbraw/zinc/33/84/33/401338433.db2.gz DVRQWDVTTPIKQY-BPQIPLTHSA-N 2 1 306.425 3.235 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000622043582 401338474 /nfs/dbraw/zinc/33/84/74/401338474.db2.gz DVRQWDVTTPIKQY-KBAYOESNSA-N 2 1 306.425 3.235 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1cccs1 ZINC000631080131 401387010 /nfs/dbraw/zinc/38/70/10/401387010.db2.gz OBQQBILZBNUKGI-PBHICJAKSA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1cccs1 ZINC000631080131 401387014 /nfs/dbraw/zinc/38/70/14/401387014.db2.gz OBQQBILZBNUKGI-PBHICJAKSA-N 2 1 317.458 3.021 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1ccc2nccnc2c1)Cc1ccccc1 ZINC000634951456 401387658 /nfs/dbraw/zinc/38/76/58/401387658.db2.gz WUIZJSHCPKNAOB-UHFFFAOYSA-N 2 1 320.440 3.242 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634952679 401387785 /nfs/dbraw/zinc/38/77/85/401387785.db2.gz GEWONTMDLHNPQN-MRXNPFEDSA-N 2 1 312.461 3.232 20 0 DGADMP C[C@H]([NH2+]Cc1ccc2nccnc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634975121 401392729 /nfs/dbraw/zinc/39/27/29/401392729.db2.gz RLDBAUOICDXDIP-RDJZCZTQSA-N 2 1 324.472 3.372 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)[C@H]1CC[NH3+] ZINC000634996678 401397761 /nfs/dbraw/zinc/39/77/61/401397761.db2.gz QMNTZJOOUVKVFV-QRWLVFNGSA-N 2 1 324.472 3.280 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196780 401423661 /nfs/dbraw/zinc/42/36/61/401423661.db2.gz VEHUJVFMZGZYPR-OJAHFUOMSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCSCC1 ZINC000631196280 401423703 /nfs/dbraw/zinc/42/37/03/401423703.db2.gz PTUXIJZIUKAGHI-NVXWUHKLSA-N 2 1 304.503 3.240 20 0 DGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000631562905 401497896 /nfs/dbraw/zinc/49/78/96/401497896.db2.gz RRZUXHFUBBQLDG-HNNXBMFYSA-N 2 1 306.450 3.086 20 0 DGADMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(OC)c1OC ZINC000631564421 401498613 /nfs/dbraw/zinc/49/86/13/401498613.db2.gz OABPJSGWVLSOKE-MRXNPFEDSA-N 2 1 306.450 3.230 20 0 DGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCc3ncccc31)C2 ZINC000631568276 401499486 /nfs/dbraw/zinc/49/94/86/401499486.db2.gz UYTOZDJBHVEHPA-OAQYLSRUSA-N 2 1 321.468 3.497 20 0 DGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCc3ncccc31)C2 ZINC000631568276 401499490 /nfs/dbraw/zinc/49/94/90/401499490.db2.gz UYTOZDJBHVEHPA-OAQYLSRUSA-N 2 1 321.468 3.497 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631567370 401499593 /nfs/dbraw/zinc/49/95/93/401499593.db2.gz YSRDKQBLPQJSAE-RHSMWYFYSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623358257 401499741 /nfs/dbraw/zinc/49/97/41/401499741.db2.gz VVFSZRYQZCBGOU-HNNXBMFYSA-N 2 1 300.450 3.307 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631572824 401501871 /nfs/dbraw/zinc/50/18/71/401501871.db2.gz STXIMGUQJMECCQ-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP COCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665382 401528990 /nfs/dbraw/zinc/52/89/90/401528990.db2.gz WXVGGSFMZWNBMH-LNLFQRSKSA-N 2 1 304.478 3.159 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000631666976 401530091 /nfs/dbraw/zinc/53/00/91/401530091.db2.gz JKPCHBCTVTURGI-PBHICJAKSA-N 2 1 301.434 3.382 20 0 DGADMP Cc1csc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000631867163 401562125 /nfs/dbraw/zinc/56/21/25/401562125.db2.gz LMDJUPYWAXMWDZ-KRWDZBQOSA-N 2 1 313.470 3.434 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000623656003 401563441 /nfs/dbraw/zinc/56/34/41/401563441.db2.gz KVOOHBFERBYDDT-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000623656003 401563443 /nfs/dbraw/zinc/56/34/43/401563443.db2.gz KVOOHBFERBYDDT-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000358476918 286072308 /nfs/dbraw/zinc/07/23/08/286072308.db2.gz ZIPKKWUJTWVTDK-GRDNDAEWSA-N 2 1 316.493 3.397 20 0 DGADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000358476918 286072310 /nfs/dbraw/zinc/07/23/10/286072310.db2.gz ZIPKKWUJTWVTDK-GRDNDAEWSA-N 2 1 316.493 3.397 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000628422176 401594617 /nfs/dbraw/zinc/59/46/17/401594617.db2.gz QMROOYLOCGKVCZ-UHFFFAOYSA-N 2 1 312.404 3.248 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1O ZINC000628425952 401595747 /nfs/dbraw/zinc/59/57/47/401595747.db2.gz ZZHOAZYFLXYCME-NVXWUHKLSA-N 2 1 320.477 3.043 20 0 DGADMP c1[nH]nc2cccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c12 ZINC000628190864 401546386 /nfs/dbraw/zinc/54/63/86/401546386.db2.gz STTAQPFLOMUJOA-BEFAXECRSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c12 ZINC000628190864 401546391 /nfs/dbraw/zinc/54/63/91/401546391.db2.gz STTAQPFLOMUJOA-BEFAXECRSA-N 2 1 310.445 3.012 20 0 DGADMP c1[nH]nc2cccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000628190864 401546395 /nfs/dbraw/zinc/54/63/95/401546395.db2.gz STTAQPFLOMUJOA-BEFAXECRSA-N 2 1 310.445 3.012 20 0 DGADMP Cc1ccc([C@H](C)C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000628252970 401561316 /nfs/dbraw/zinc/56/13/16/401561316.db2.gz PHOIFLWIXFHHGS-MSOLQXFVSA-N 2 1 304.478 3.189 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000624300477 401647819 /nfs/dbraw/zinc/64/78/19/401647819.db2.gz IHVIHRXEWIZWKP-LASHMREHSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119464 401628085 /nfs/dbraw/zinc/62/80/85/401628085.db2.gz BTJVIHVVYSJTRW-DOTOQJQBSA-N 2 1 318.461 3.058 20 0 DGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120950 401628380 /nfs/dbraw/zinc/62/83/80/401628380.db2.gz KOQHPXZKXSCUFR-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120950 401628383 /nfs/dbraw/zinc/62/83/83/401628383.db2.gz KOQHPXZKXSCUFR-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000624120950 401628384 /nfs/dbraw/zinc/62/83/84/401628384.db2.gz KOQHPXZKXSCUFR-RYUDHWBXSA-N 2 1 300.368 3.486 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121206 401628674 /nfs/dbraw/zinc/62/86/74/401628674.db2.gz QAYZTDOGEIMXMR-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624121206 401628676 /nfs/dbraw/zinc/62/86/76/401628676.db2.gz QAYZTDOGEIMXMR-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121206 401628679 /nfs/dbraw/zinc/62/86/79/401628679.db2.gz QAYZTDOGEIMXMR-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP C[N@H+]1CCCC[C@H](CN[C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122937 401628932 /nfs/dbraw/zinc/62/89/32/401628932.db2.gz BHMJPBZZJIIURY-RISCZKNCSA-N 2 1 312.379 3.413 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCCO2 ZINC000624121976 401629092 /nfs/dbraw/zinc/62/90/92/401629092.db2.gz HEMVEUKKOCSSBY-YJBOKZPZSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624121976 401629094 /nfs/dbraw/zinc/62/90/94/401629094.db2.gz HEMVEUKKOCSSBY-YJBOKZPZSA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCCO2 ZINC000624121975 401629150 /nfs/dbraw/zinc/62/91/50/401629150.db2.gz HEMVEUKKOCSSBY-QAPCUYQASA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624121975 401629151 /nfs/dbraw/zinc/62/91/51/401629151.db2.gz HEMVEUKKOCSSBY-QAPCUYQASA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624124117 401629778 /nfs/dbraw/zinc/62/97/78/401629778.db2.gz XSFGSFBSMGAPDT-HZPDHXFCSA-N 2 1 320.477 3.395 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)n1 ZINC000358506413 286080106 /nfs/dbraw/zinc/08/01/06/286080106.db2.gz JZHKRIYCXWZXLK-UHFFFAOYSA-N 2 1 324.472 3.065 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504865 286079828 /nfs/dbraw/zinc/07/98/28/286079828.db2.gz JDSGRVWHMGJIGJ-UHFFFAOYSA-N 2 1 317.458 3.287 20 0 DGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397347 401684026 /nfs/dbraw/zinc/68/40/26/401684026.db2.gz ZVLMABBWTDGMQS-NFAWXSAZSA-N 2 1 312.404 3.339 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000358660471 286118199 /nfs/dbraw/zinc/11/81/99/286118199.db2.gz GLGGFZPCRCTWPB-FPAYPSAMSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000359102348 286237346 /nfs/dbraw/zinc/23/73/46/286237346.db2.gz FUQSDJMOWSTAFR-UYAOXDASSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102348 286237347 /nfs/dbraw/zinc/23/73/47/286237347.db2.gz FUQSDJMOWSTAFR-UYAOXDASSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102348 286237348 /nfs/dbraw/zinc/23/73/48/286237348.db2.gz FUQSDJMOWSTAFR-UYAOXDASSA-N 2 1 317.521 3.359 20 0 DGADMP CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359198689 286259599 /nfs/dbraw/zinc/25/95/99/286259599.db2.gz WOQPCYDWIMWINZ-GOSISDBHSA-N 2 1 302.462 3.228 20 0 DGADMP c1csc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000359200672 286260177 /nfs/dbraw/zinc/26/01/77/286260177.db2.gz GNJSIQIIGHNQBS-INIZCTEOSA-N 2 1 308.491 3.119 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321577 286283475 /nfs/dbraw/zinc/28/34/75/286283475.db2.gz LAJDLMCJTHIYBY-QEORTHHSSA-N 2 1 317.433 3.303 20 0 DGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359321577 286283477 /nfs/dbraw/zinc/28/34/77/286283477.db2.gz LAJDLMCJTHIYBY-QEORTHHSSA-N 2 1 317.433 3.303 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422860465 286290886 /nfs/dbraw/zinc/29/08/86/286290886.db2.gz MKNKQGCWKJELAO-HOCLYGCPSA-N 2 1 320.477 3.102 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423126811 292368785 /nfs/dbraw/zinc/36/87/85/292368785.db2.gz JCMJNRXKDJKBLR-MTFMMBMASA-N 2 1 314.473 3.119 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415918 298384250 /nfs/dbraw/zinc/38/42/50/298384250.db2.gz PAANSUIFFIGQJW-ZIAGYGMSSA-N 2 1 310.404 3.198 20 0 DGADMP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415918 298384252 /nfs/dbraw/zinc/38/42/52/298384252.db2.gz PAANSUIFFIGQJW-ZIAGYGMSSA-N 2 1 310.404 3.198 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000186549059 165050742 /nfs/dbraw/zinc/05/07/42/165050742.db2.gz BVFUNZBWMDHHEA-INIZCTEOSA-N 2 1 301.459 3.063 20 0 DGADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000186549059 165050745 /nfs/dbraw/zinc/05/07/45/165050745.db2.gz BVFUNZBWMDHHEA-INIZCTEOSA-N 2 1 301.459 3.063 20 0 DGADMP CCN(C)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000190772064 165214704 /nfs/dbraw/zinc/21/47/04/165214704.db2.gz YHCNLEVLHQIHTG-KRWDZBQOSA-N 2 1 318.509 3.282 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000191398462 165248701 /nfs/dbraw/zinc/24/87/01/165248701.db2.gz OZVDUGYQUAANGX-UHFFFAOYSA-N 2 1 321.534 3.129 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000191533509 165257348 /nfs/dbraw/zinc/25/73/48/165257348.db2.gz INMOFUXKJFOEJU-LJQANCHMSA-N 2 1 304.478 3.090 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000191597131 165261480 /nfs/dbraw/zinc/26/14/80/165261480.db2.gz DQPFZGIGNQAVIC-UHFFFAOYSA-N 2 1 318.509 3.138 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccc(Cl)cc1 ZINC000192913313 165309556 /nfs/dbraw/zinc/30/95/56/165309556.db2.gz MJABWDTWHYPRKD-OHRKKDJYSA-N 2 1 308.853 3.322 20 0 DGADMP COCc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924017 165311072 /nfs/dbraw/zinc/31/10/72/165311072.db2.gz BJXMLXDDSDIPMS-NRFANRHFSA-N 2 1 324.468 3.445 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccnc2OC)CC1 ZINC000193313264 165322412 /nfs/dbraw/zinc/32/24/12/165322412.db2.gz IMDRRTOHTXOUNO-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193347940 165325010 /nfs/dbraw/zinc/32/50/10/165325010.db2.gz XXZJDIBSALBHLO-FCFHUKJJSA-N 2 1 314.473 3.339 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000216066016 165375398 /nfs/dbraw/zinc/37/53/98/165375398.db2.gz PMFIHDIJPMIMGQ-PWSUYJOCSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000215645113 165376719 /nfs/dbraw/zinc/37/67/19/165376719.db2.gz QAGRLDVNWUHAQS-IAGOWNOFSA-N 2 1 316.489 3.433 20 0 DGADMP CCn1nc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c2ccccc21 ZINC000365827388 287176623 /nfs/dbraw/zinc/17/66/23/287176623.db2.gz BRODWKZUDSCXFY-HNNXBMFYSA-N 2 1 323.444 3.169 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136323316 432152534 /nfs/dbraw/zinc/15/25/34/432152534.db2.gz VFRCVFWZBBGSNU-CABCVRRESA-N 2 1 301.434 3.144 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000136311895 432151681 /nfs/dbraw/zinc/15/16/81/432151681.db2.gz AVQGQKAVXHOVJM-UHFFFAOYSA-N 2 1 317.824 3.015 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000136311895 432151686 /nfs/dbraw/zinc/15/16/86/432151686.db2.gz AVQGQKAVXHOVJM-UHFFFAOYSA-N 2 1 317.824 3.015 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000182230596 432167964 /nfs/dbraw/zinc/16/79/64/432167964.db2.gz MRSGMRLRISCDIH-MAUKXSAKSA-N 2 1 304.478 3.168 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000246833046 432170293 /nfs/dbraw/zinc/17/02/93/432170293.db2.gz ANWFMKNIENLFAG-CVEARBPZSA-N 2 1 320.477 3.475 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000246833046 432170295 /nfs/dbraw/zinc/17/02/95/432170295.db2.gz ANWFMKNIENLFAG-CVEARBPZSA-N 2 1 320.477 3.475 20 0 DGADMP CO[C@@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000182237172 432170794 /nfs/dbraw/zinc/17/07/94/432170794.db2.gz ABUKDBDGORVRIY-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000182237172 432170795 /nfs/dbraw/zinc/17/07/95/432170795.db2.gz ABUKDBDGORVRIY-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000182237172 432170797 /nfs/dbraw/zinc/17/07/97/432170797.db2.gz ABUKDBDGORVRIY-QXAKKESOSA-N 2 1 302.462 3.008 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000138515856 432181622 /nfs/dbraw/zinc/18/16/22/432181622.db2.gz WTAWZRCCVUQVCE-SJORKVTESA-N 2 1 312.461 3.087 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000246845303 432172656 /nfs/dbraw/zinc/17/26/56/432172656.db2.gz CJJFLNWNKJYBKO-HZPDHXFCSA-N 2 1 318.461 3.230 20 0 DGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182265456 432174479 /nfs/dbraw/zinc/17/44/79/432174479.db2.gz KLFLZRUWBYLGMC-MDZRGWNJSA-N 2 1 316.489 3.168 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000247007298 432191008 /nfs/dbraw/zinc/19/10/08/432191008.db2.gz KZXYAIOVSUOPGT-CRAIPNDOSA-N 2 1 317.477 3.245 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000247007298 432191010 /nfs/dbraw/zinc/19/10/10/432191010.db2.gz KZXYAIOVSUOPGT-CRAIPNDOSA-N 2 1 317.477 3.245 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000172038878 432192255 /nfs/dbraw/zinc/19/22/55/432192255.db2.gz DZSSRTOKEIIOCF-VQIMIIECSA-N 2 1 322.468 3.361 20 0 DGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000269664709 432195351 /nfs/dbraw/zinc/19/53/51/432195351.db2.gz KNGGBRFPXQACMC-SFHVURJKSA-N 2 1 315.461 3.094 20 0 DGADMP COC[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000247048329 432196944 /nfs/dbraw/zinc/19/69/44/432196944.db2.gz MAXMRRCERWJPES-ACZWYYKOSA-N 2 1 316.489 3.158 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000247097269 432201935 /nfs/dbraw/zinc/20/19/35/432201935.db2.gz DZSSRTOKEIIOCF-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1 ZINC000130978692 196128697 /nfs/dbraw/zinc/12/86/97/196128697.db2.gz BTOQZVJZURGAQM-CABCVRRESA-N 2 1 312.461 3.314 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247163100 432207866 /nfs/dbraw/zinc/20/78/66/432207866.db2.gz SDAHWPMQDWYGSX-JKSUJKDBSA-N 2 1 312.498 3.208 20 0 DGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000131306384 196158940 /nfs/dbraw/zinc/15/89/40/196158940.db2.gz WVFSEPMMBQYMBK-AWEZNQCLSA-N 2 1 310.401 3.016 20 0 DGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000131306384 196158942 /nfs/dbraw/zinc/15/89/42/196158942.db2.gz WVFSEPMMBQYMBK-AWEZNQCLSA-N 2 1 310.401 3.016 20 0 DGADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000247224532 432212286 /nfs/dbraw/zinc/21/22/86/432212286.db2.gz XWEWNSPZZRZPSM-NEWSRXKRSA-N 2 1 309.542 3.207 20 0 DGADMP COc1ccccc1CCC[N@@H+](C)CCCn1ccnc1C ZINC000182651949 432214231 /nfs/dbraw/zinc/21/42/31/432214231.db2.gz WYPJRDPWKBJJAN-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP COc1ccccc1CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000182651949 432214234 /nfs/dbraw/zinc/21/42/34/432214234.db2.gz WYPJRDPWKBJJAN-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP COc1ccccc1CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000182651949 432214237 /nfs/dbraw/zinc/21/42/37/432214237.db2.gz WYPJRDPWKBJJAN-UHFFFAOYSA-N 2 1 301.434 3.155 20 0 DGADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000191034712 432214484 /nfs/dbraw/zinc/21/44/84/432214484.db2.gz JXLNAGCDXBCMQA-APWZRJJASA-N 2 1 317.477 3.187 20 0 DGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000247237075 432214635 /nfs/dbraw/zinc/21/46/35/432214635.db2.gz YSJTYWKHFRPVAM-OXQOHEQNSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000247248257 432214798 /nfs/dbraw/zinc/21/47/98/432214798.db2.gz ZMAIRDWOFUQQJX-MBOZVWFJSA-N 2 1 316.489 3.433 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000172265409 432205426 /nfs/dbraw/zinc/20/54/26/432205426.db2.gz SVHBJXGSAISNGX-UHFFFAOYSA-N 2 1 306.498 3.408 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000172265409 432205431 /nfs/dbraw/zinc/20/54/31/432205431.db2.gz SVHBJXGSAISNGX-UHFFFAOYSA-N 2 1 306.498 3.408 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000247146656 432206270 /nfs/dbraw/zinc/20/62/70/432206270.db2.gz SPRHDZNJNJGBGJ-HKUYNNGSSA-N 2 1 316.489 3.055 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000151069943 432216177 /nfs/dbraw/zinc/21/61/77/432216177.db2.gz OKGDMUNIIKHGOS-UXLLHSPISA-N 2 1 320.477 3.302 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000151069943 432216179 /nfs/dbraw/zinc/21/61/79/432216179.db2.gz OKGDMUNIIKHGOS-UXLLHSPISA-N 2 1 320.477 3.302 20 0 DGADMP CC[C@H](COC)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247260113 432216619 /nfs/dbraw/zinc/21/66/19/432216619.db2.gz ZCHJBTKEMWXSAP-JFRXWTBNSA-N 2 1 304.478 3.158 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000151108549 432218880 /nfs/dbraw/zinc/21/88/80/432218880.db2.gz QFMYGKGJJYMMEU-RDJZCZTQSA-N 2 1 318.461 3.230 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000131575149 196180881 /nfs/dbraw/zinc/18/08/81/196180881.db2.gz RMUFBYMLJDHUAP-ZWKOTPCHSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000132225333 196236830 /nfs/dbraw/zinc/23/68/30/196236830.db2.gz KBTQVELYNDKIBM-JQWIXIFHSA-N 2 1 304.381 3.468 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295806170 225260374 /nfs/dbraw/zinc/26/03/74/225260374.db2.gz TUFWDRAADLACBL-LMSBXDPUSA-N 2 1 304.503 3.238 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295806170 225260378 /nfs/dbraw/zinc/26/03/78/225260378.db2.gz TUFWDRAADLACBL-LMSBXDPUSA-N 2 1 304.503 3.238 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1OC ZINC000296601087 226037011 /nfs/dbraw/zinc/03/70/11/226037011.db2.gz VQFUHWJSOWWBST-HNSVSWJLSA-N 2 1 318.461 3.288 20 0 DGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(C[NH+](C)C)c1 ZINC000298119818 228365103 /nfs/dbraw/zinc/36/51/03/228365103.db2.gz MSEFTWIJHNHRCR-XHSDSOJGSA-N 2 1 317.477 3.256 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@H+]1C ZINC000344683973 229141028 /nfs/dbraw/zinc/14/10/28/229141028.db2.gz PICLITWHPXCARQ-WBMJQRKESA-N 2 1 303.837 3.461 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000302068651 230078219 /nfs/dbraw/zinc/07/82/19/230078219.db2.gz UCSDNWZTYBGPJJ-UHFFFAOYSA-N 2 1 320.440 3.223 20 0 DGADMP Cc1cccc(N2CC[NH+](CCCNc3cccc(C)[nH+]3)CC2)c1 ZINC000302244616 230198985 /nfs/dbraw/zinc/19/89/85/230198985.db2.gz RKARNWHIWFXMES-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP Cc1cc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc[nH+]1 ZINC000302308900 230213327 /nfs/dbraw/zinc/21/33/27/230213327.db2.gz OPMLWHHKZCBCJC-FQEVSTJZSA-N 2 1 324.472 3.181 20 0 DGADMP Cc1cc(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc[nH+]1 ZINC000302308900 230213332 /nfs/dbraw/zinc/21/33/32/230213332.db2.gz OPMLWHHKZCBCJC-FQEVSTJZSA-N 2 1 324.472 3.181 20 0 DGADMP Cc1cc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc[nH+]1 ZINC000302308900 230213337 /nfs/dbraw/zinc/21/33/37/230213337.db2.gz OPMLWHHKZCBCJC-FQEVSTJZSA-N 2 1 324.472 3.181 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000346427109 264030428 /nfs/dbraw/zinc/03/04/28/264030428.db2.gz DSFTUYZXOXRVDN-WQUXRXDGSA-N 2 1 316.489 3.444 20 0 DGADMP COC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000346427109 264030430 /nfs/dbraw/zinc/03/04/30/264030430.db2.gz DSFTUYZXOXRVDN-WQUXRXDGSA-N 2 1 316.489 3.444 20 0 DGADMP CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462165 264036450 /nfs/dbraw/zinc/03/64/50/264036450.db2.gz OBDPAQYVKWCIHC-HNAYVOBHSA-N 2 1 313.420 3.242 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000346567310 264055850 /nfs/dbraw/zinc/05/58/50/264055850.db2.gz SVSSKQNJHOVRAC-IZBJGVDFSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000346567310 264055851 /nfs/dbraw/zinc/05/58/51/264055851.db2.gz SVSSKQNJHOVRAC-IZBJGVDFSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000346641330 264071018 /nfs/dbraw/zinc/07/10/18/264071018.db2.gz BNYIJTHQAXDFRN-UKRRQHHQSA-N 2 1 301.459 3.288 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000346663729 264075795 /nfs/dbraw/zinc/07/57/95/264075795.db2.gz XAHWHSHITMFQQG-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346671937 264077986 /nfs/dbraw/zinc/07/79/86/264077986.db2.gz HWZMXSZDHCBZJH-UHFFFAOYSA-N 2 1 308.466 3.291 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346684913 264079342 /nfs/dbraw/zinc/07/93/42/264079342.db2.gz SAGRBAFROYCVDE-OCCSQVGLSA-N 2 1 318.852 3.003 20 0 DGADMP C[N@H+](Cc1ccccc1OCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000346693115 264080167 /nfs/dbraw/zinc/08/01/67/264080167.db2.gz KVGFFOVXZQZKCV-UHFFFAOYSA-N 2 1 304.356 3.044 20 0 DGADMP C[N@@H+](Cc1ccccc1OCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000346693115 264080168 /nfs/dbraw/zinc/08/01/68/264080168.db2.gz KVGFFOVXZQZKCV-UHFFFAOYSA-N 2 1 304.356 3.044 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)C[C@@H]12 ZINC000346813996 264102190 /nfs/dbraw/zinc/10/21/90/264102190.db2.gz BILZKHQWKYYWDA-CYZMBNFOSA-N 2 1 305.472 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@@H]12 ZINC000346813996 264102191 /nfs/dbraw/zinc/10/21/91/264102191.db2.gz BILZKHQWKYYWDA-CYZMBNFOSA-N 2 1 305.472 3.041 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000346842067 264107167 /nfs/dbraw/zinc/10/71/67/264107167.db2.gz WJIDRJKBCXPKTC-NVXWUHKLSA-N 2 1 302.462 3.295 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@@H]12 ZINC000346840320 264107626 /nfs/dbraw/zinc/10/76/26/264107626.db2.gz TYYQJSHKFUCTOQ-NQBHXWOUSA-N 2 1 316.779 3.111 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@@H]12 ZINC000346840320 264107628 /nfs/dbraw/zinc/10/76/28/264107628.db2.gz TYYQJSHKFUCTOQ-NQBHXWOUSA-N 2 1 316.779 3.111 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC000346844835 264107941 /nfs/dbraw/zinc/10/79/41/264107941.db2.gz LQDGWIMCESETCG-HSALFYBXSA-N 2 1 307.441 3.308 20 0 DGADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC000346849416 264108604 /nfs/dbraw/zinc/10/86/04/264108604.db2.gz SFVZWBPLQYBMCY-XIRDDKMYSA-N 2 1 318.461 3.042 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1[NH3+] ZINC000347004355 264137553 /nfs/dbraw/zinc/13/75/53/264137553.db2.gz AZNRNCDQHXUFEN-MAUKXSAKSA-N 2 1 320.440 3.195 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347026430 264142920 /nfs/dbraw/zinc/14/29/20/264142920.db2.gz TXKZVQXTLMHWBG-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037746 264144509 /nfs/dbraw/zinc/14/45/09/264144509.db2.gz FXNZJPLPTOSGHN-VXGBXAGGSA-N 2 1 307.488 3.431 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347037746 264144510 /nfs/dbraw/zinc/14/45/10/264144510.db2.gz FXNZJPLPTOSGHN-VXGBXAGGSA-N 2 1 307.488 3.431 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000347035366 264144883 /nfs/dbraw/zinc/14/48/83/264144883.db2.gz GOLDJNURTQHPKQ-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000347035366 264144885 /nfs/dbraw/zinc/14/48/85/264144885.db2.gz GOLDJNURTQHPKQ-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347039540 264146407 /nfs/dbraw/zinc/14/64/07/264146407.db2.gz JOUAVJWTRKVEJE-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347039540 264146409 /nfs/dbraw/zinc/14/64/09/264146409.db2.gz JOUAVJWTRKVEJE-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000347088367 264154938 /nfs/dbraw/zinc/15/49/38/264154938.db2.gz CNIIMNWYBPIENA-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000347088367 264154941 /nfs/dbraw/zinc/15/49/41/264154941.db2.gz CNIIMNWYBPIENA-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCCOc1c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cccc1OCC ZINC000347138862 264163995 /nfs/dbraw/zinc/16/39/95/264163995.db2.gz VINVGZIQNGPYME-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cccc1OCC ZINC000347138862 264163996 /nfs/dbraw/zinc/16/39/96/264163996.db2.gz VINVGZIQNGPYME-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347173471 264169656 /nfs/dbraw/zinc/16/96/56/264169656.db2.gz OUJULTWCDXUZMG-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347173471 264169658 /nfs/dbraw/zinc/16/96/58/264169658.db2.gz OUJULTWCDXUZMG-CQSZACIVSA-N 2 1 316.367 3.059 20 0 DGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1SC ZINC000347181956 264171197 /nfs/dbraw/zinc/17/11/97/264171197.db2.gz VPZGKXWJBKCXEU-YIONKMFJSA-N 2 1 306.475 3.132 20 0 DGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1SC ZINC000347181956 264171200 /nfs/dbraw/zinc/17/12/00/264171200.db2.gz VPZGKXWJBKCXEU-YIONKMFJSA-N 2 1 306.475 3.132 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000347237576 264181440 /nfs/dbraw/zinc/18/14/40/264181440.db2.gz RNKLMUXNNKLJHY-SFHVURJKSA-N 2 1 317.477 3.341 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347320520 264196274 /nfs/dbraw/zinc/19/62/74/264196274.db2.gz AIUPGKXXNTUIPL-ZOBUZTSGSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347320520 264196277 /nfs/dbraw/zinc/19/62/77/264196277.db2.gz AIUPGKXXNTUIPL-ZOBUZTSGSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347320520 264196282 /nfs/dbraw/zinc/19/62/82/264196282.db2.gz AIUPGKXXNTUIPL-ZOBUZTSGSA-N 2 1 304.409 3.256 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000347333846 264199210 /nfs/dbraw/zinc/19/92/10/264199210.db2.gz QSQJXGZOMCMVRN-PKOBYXMFSA-N 2 1 304.478 3.098 20 0 DGADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729131 264274599 /nfs/dbraw/zinc/27/45/99/264274599.db2.gz FVRSZLHLGUYRDN-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729131 264274601 /nfs/dbraw/zinc/27/46/01/264274601.db2.gz FVRSZLHLGUYRDN-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729131 264274602 /nfs/dbraw/zinc/27/46/02/264274602.db2.gz FVRSZLHLGUYRDN-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCC(=O)CC1 ZINC000347729131 264274605 /nfs/dbraw/zinc/27/46/05/264274605.db2.gz FVRSZLHLGUYRDN-IBGZPJMESA-N 2 1 314.473 3.200 20 0 DGADMP CC[N@@H+](CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047551 264328409 /nfs/dbraw/zinc/32/84/09/264328409.db2.gz SWBSRQBFYUWVAZ-ICSRJNTNSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047551 264328412 /nfs/dbraw/zinc/32/84/12/264328412.db2.gz SWBSRQBFYUWVAZ-ICSRJNTNSA-N 3 1 317.521 3.217 20 0 DGADMP CC[NH+](CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047551 264328413 /nfs/dbraw/zinc/32/84/13/264328413.db2.gz SWBSRQBFYUWVAZ-ICSRJNTNSA-N 3 1 317.521 3.217 20 0 DGADMP COCC[N@@H+](CCCc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000348053615 264329654 /nfs/dbraw/zinc/32/96/54/264329654.db2.gz VSSYIYJGLCGJMT-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP COCC[NH+](CCCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000348053615 264329657 /nfs/dbraw/zinc/32/96/57/264329657.db2.gz VSSYIYJGLCGJMT-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP COCC[NH+](CCCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000348053615 264329659 /nfs/dbraw/zinc/32/96/59/264329659.db2.gz VSSYIYJGLCGJMT-IBGZPJMESA-N 2 1 304.478 3.052 20 0 DGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccs1 ZINC000348074186 264335137 /nfs/dbraw/zinc/33/51/37/264335137.db2.gz LQTHZRHGQXRGGN-UHFFFAOYSA-N 2 1 307.463 3.182 20 0 DGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccs1 ZINC000348074186 264335138 /nfs/dbraw/zinc/33/51/38/264335138.db2.gz LQTHZRHGQXRGGN-UHFFFAOYSA-N 2 1 307.463 3.182 20 0 DGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348098266 264339416 /nfs/dbraw/zinc/33/94/16/264339416.db2.gz AGMXZGPIOVWICF-AIEDFZFUSA-N 2 1 322.415 3.052 20 0 DGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348098266 264339419 /nfs/dbraw/zinc/33/94/19/264339419.db2.gz AGMXZGPIOVWICF-AIEDFZFUSA-N 2 1 322.415 3.052 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(CO)CC2)cc1 ZINC000348095015 264339630 /nfs/dbraw/zinc/33/96/30/264339630.db2.gz HOKRMPOSBKCINA-MXWWQKGMSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348109832 264341949 /nfs/dbraw/zinc/34/19/49/264341949.db2.gz SWEQMMYENFUNBO-ILXRZTDVSA-N 2 1 322.415 3.198 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348109834 264342583 /nfs/dbraw/zinc/34/25/83/264342583.db2.gz SWEQMMYENFUNBO-QLFBSQMISA-N 2 1 322.415 3.198 20 0 DGADMP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000348113597 264343236 /nfs/dbraw/zinc/34/32/36/264343236.db2.gz XOSOSJMECMOACD-VQTJNVASSA-N 2 1 315.505 3.102 20 0 DGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000348203292 264363471 /nfs/dbraw/zinc/36/34/71/264363471.db2.gz PBFPDMYUEIJIPY-KURKYZTESA-N 2 1 319.493 3.497 20 0 DGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000348203292 264363472 /nfs/dbraw/zinc/36/34/72/264363472.db2.gz PBFPDMYUEIJIPY-KURKYZTESA-N 2 1 319.493 3.497 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348227063 264369588 /nfs/dbraw/zinc/36/95/88/264369588.db2.gz OKIWWYNQMCVXHC-ZMHJYQQXSA-N 2 1 314.473 3.054 20 0 DGADMP CCc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000348355084 264395385 /nfs/dbraw/zinc/39/53/85/264395385.db2.gz JXKQIXRURMXXHB-BGYRXZFFSA-N 2 1 321.468 3.208 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1ccn(-c2ccccc2)n1)CC1CCCC1 ZINC000352519099 265077887 /nfs/dbraw/zinc/07/78/87/265077887.db2.gz LWEMHMQXHQJHBL-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ccn(-c2ccccc2)n1)CC1CCCC1 ZINC000352519099 265077889 /nfs/dbraw/zinc/07/78/89/265077889.db2.gz LWEMHMQXHQJHBL-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352637071 265111797 /nfs/dbraw/zinc/11/17/97/265111797.db2.gz MXMPAAGNVLXBTH-IDSADKGKSA-N 2 1 302.462 3.309 20 0 DGADMP CCc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000352730569 265143180 /nfs/dbraw/zinc/14/31/80/265143180.db2.gz FGDVNCBPJRPQSH-UHFFFAOYSA-N 2 1 301.478 3.388 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000352735443 265145601 /nfs/dbraw/zinc/14/56/01/265145601.db2.gz BTSOATOXPJQSOR-FOWTUZBSSA-N 2 1 300.446 3.088 20 0 DGADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1ccccc1 ZINC000352748286 265150597 /nfs/dbraw/zinc/15/05/97/265150597.db2.gz ICGXDVLTRMZNFX-KGLIPLIRSA-N 2 1 303.475 3.487 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](Cc2ccccc2)C2CC2)s1 ZINC000352757993 265154570 /nfs/dbraw/zinc/15/45/70/265154570.db2.gz XCFFQWBTZYXPIF-QGZVFWFLSA-N 2 1 315.486 3.316 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2cccc(F)c2)s1 ZINC000352760731 265155583 /nfs/dbraw/zinc/15/55/83/265155583.db2.gz ROBYMJJYEQHIKP-UHFFFAOYSA-N 2 1 321.465 3.411 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000352761854 265156618 /nfs/dbraw/zinc/15/66/18/265156618.db2.gz ZVGPXWBHPFZMKT-UHFFFAOYSA-N 2 1 318.490 3.187 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000352765074 265158140 /nfs/dbraw/zinc/15/81/40/265158140.db2.gz IWYKKYYXIUMSFF-LLVKDONJSA-N 2 1 309.504 3.295 20 0 DGADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Sc1ccccc1 ZINC000352767593 265160068 /nfs/dbraw/zinc/16/00/68/265160068.db2.gz MVDDBGSXDVEWPK-ZDUSSCGKSA-N 2 1 321.515 3.475 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352815381 265179290 /nfs/dbraw/zinc/17/92/90/265179290.db2.gz LSCWYMXXDKGCKG-CYBMUJFWSA-N 2 1 319.474 3.021 20 0 DGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C)cc1 ZINC000353321383 265388005 /nfs/dbraw/zinc/38/80/05/265388005.db2.gz PSHHZDYLKFJCTN-OALUTQOASA-N 2 1 304.478 3.129 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000353328598 265391777 /nfs/dbraw/zinc/39/17/77/265391777.db2.gz GIHXPXMYYAZZCJ-DOTOQJQBSA-N 2 1 322.518 3.152 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970382 265614230 /nfs/dbraw/zinc/61/42/30/265614230.db2.gz DGNOOJCHBVCDKB-DOTOQJQBSA-N 2 1 320.477 3.099 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000353970382 265614235 /nfs/dbraw/zinc/61/42/35/265614235.db2.gz DGNOOJCHBVCDKB-DOTOQJQBSA-N 2 1 320.477 3.099 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000355285288 266026782 /nfs/dbraw/zinc/02/67/82/266026782.db2.gz TZWMUBNOGJZCPW-AQNXPRMDSA-N 2 1 316.489 3.241 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000355340669 266044696 /nfs/dbraw/zinc/04/46/96/266044696.db2.gz WHJHSFIPSMZXFG-LPHOPBHVSA-N 2 1 320.452 3.162 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000355353667 266048394 /nfs/dbraw/zinc/04/83/94/266048394.db2.gz JSLXJNMWSHWZLS-IBGZPJMESA-N 2 1 319.468 3.153 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1C(C)(C)C ZINC000191189317 432232412 /nfs/dbraw/zinc/23/24/12/432232412.db2.gz FYOOLQUTTGGLQE-GJZGRUSLSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191265798 432242963 /nfs/dbraw/zinc/24/29/63/432242963.db2.gz FKDFDMRSNRASGQ-KBPBESRZSA-N 2 1 303.454 3.264 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191307808 432248299 /nfs/dbraw/zinc/24/82/99/432248299.db2.gz UUOUAZCTWFQJNL-AWEZNQCLSA-N 2 1 303.454 3.408 20 0 DGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000359879510 271006661 /nfs/dbraw/zinc/00/66/61/271006661.db2.gz RWXMCXURVWIJRF-DFQSSKMNSA-N 2 1 316.489 3.017 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367697892 271066233 /nfs/dbraw/zinc/06/62/33/271066233.db2.gz DJTSXLRTWVBDLM-AEFFLSMTSA-N 2 1 318.509 3.171 20 0 DGADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC000368140297 271142460 /nfs/dbraw/zinc/14/24/60/271142460.db2.gz KCKLEOFPUJJYLF-GTPINHCMSA-N 2 1 320.481 3.114 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000368433473 271158924 /nfs/dbraw/zinc/15/89/24/271158924.db2.gz KUQSPFRIEJQGJT-IHWFROFDSA-N 3 1 315.505 3.243 20 0 DGADMP CC[NH+](CC)Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000368433473 271158927 /nfs/dbraw/zinc/15/89/27/271158927.db2.gz KUQSPFRIEJQGJT-IHWFROFDSA-N 2 1 315.505 3.243 20 0 DGADMP CC[NH+](CC)Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000368433473 271158929 /nfs/dbraw/zinc/15/89/29/271158929.db2.gz KUQSPFRIEJQGJT-IHWFROFDSA-N 2 1 315.505 3.243 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482694 271163684 /nfs/dbraw/zinc/16/36/84/271163684.db2.gz LATKFPIQORBUMU-NMLBUPMWSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482694 271163689 /nfs/dbraw/zinc/16/36/89/271163689.db2.gz LATKFPIQORBUMU-NMLBUPMWSA-N 2 1 314.473 3.056 20 0 DGADMP CCOC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368585454 271176390 /nfs/dbraw/zinc/17/63/90/271176390.db2.gz RADIZULOQXCACX-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CCN(CC)c1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000368966905 271228257 /nfs/dbraw/zinc/22/82/57/271228257.db2.gz SLJQCVOOEDUHPY-UHFFFAOYSA-N 2 1 322.522 3.050 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000370012503 271335486 /nfs/dbraw/zinc/33/54/86/271335486.db2.gz UXNZNZNVILCEDG-VIQWUECVSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000370094121 271340656 /nfs/dbraw/zinc/34/06/56/271340656.db2.gz WTWWYNLDOQXVPW-XWTMOSNGSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000191328643 432251364 /nfs/dbraw/zinc/25/13/64/432251364.db2.gz BRLQCOYJEFSKDM-BPUTZDHNSA-N 2 1 306.498 3.470 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000270503928 432252698 /nfs/dbraw/zinc/25/26/98/432252698.db2.gz QRGWEDXSJOZPRR-SFHVURJKSA-N 2 1 324.472 3.036 20 0 DGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247958355 432256229 /nfs/dbraw/zinc/25/62/29/432256229.db2.gz FXMXCFZGKUQRPR-LMMKCTJWSA-N 2 1 317.521 3.436 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414831616 273516365 /nfs/dbraw/zinc/51/63/65/273516365.db2.gz CTCDMYBRLVIZAF-WFASDCNBSA-N 2 1 313.283 3.343 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000423465012 273721202 /nfs/dbraw/zinc/72/12/02/273721202.db2.gz MIUYIVUAVINBBC-NOZJJQNGSA-N 2 1 317.658 3.417 20 0 DGADMP COC1([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CCCC1 ZINC000421828545 274015618 /nfs/dbraw/zinc/01/56/18/274015618.db2.gz DFHKCGXREXNGEA-INIZCTEOSA-N 2 1 317.477 3.296 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477946750 274339499 /nfs/dbraw/zinc/33/94/99/274339499.db2.gz LWOGLCGZTSAUGU-XWCCPHMRSA-N 2 1 302.462 3.083 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccccc32)CCCO1 ZINC000278566517 274347797 /nfs/dbraw/zinc/34/77/97/274347797.db2.gz PIWUTDIVYRTWPE-VQIMIIECSA-N 2 1 302.462 3.155 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000247995100 432260609 /nfs/dbraw/zinc/26/06/09/432260609.db2.gz JVMHJVIWKJJNQP-MBOZVWFJSA-N 2 1 315.505 3.284 20 0 DGADMP CC1(C)CC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000434685415 275828978 /nfs/dbraw/zinc/82/89/78/275828978.db2.gz PVCURMQOXROMPT-QGZVFWFLSA-N 2 1 317.477 3.356 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCCC[C@H]3N)CC2)CC1 ZINC000422963241 275935837 /nfs/dbraw/zinc/93/58/37/275935837.db2.gz FIMXVSWYZXFPIE-GMNCBBECSA-N 2 1 307.526 3.279 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421370866 276149822 /nfs/dbraw/zinc/14/98/22/276149822.db2.gz JAVBFTWMBAUVRT-RBUKOAKNSA-N 2 1 321.553 3.305 20 0 DGADMP CC1(C)Cc2occc2[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000305104296 276152083 /nfs/dbraw/zinc/15/20/83/276152083.db2.gz CIOFQLZPXNXUAI-DOTOQJQBSA-N 2 1 320.477 3.120 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)CC3CCCCC3)C2)CC1 ZINC000248647482 276201363 /nfs/dbraw/zinc/20/13/63/276201363.db2.gz SZDMUVCLSONZAB-QUCCMNQESA-N 2 1 321.553 3.305 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040227461 276221770 /nfs/dbraw/zinc/22/17/70/276221770.db2.gz ZVBRGDOPHHXSSN-MLGOLLRUSA-N 2 1 323.278 3.368 20 0 DGADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076992 276243446 /nfs/dbraw/zinc/24/34/46/276243446.db2.gz YOBBQAIQJZUKGK-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076992 276243447 /nfs/dbraw/zinc/24/34/47/276243447.db2.gz YOBBQAIQJZUKGK-YLJYHZDGSA-N 2 1 315.505 3.102 20 0 DGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456282590 276365644 /nfs/dbraw/zinc/36/56/44/276365644.db2.gz SCNJDMYIXYYNNW-ROUUACIJSA-N 2 1 315.461 3.048 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000459770958 277073635 /nfs/dbraw/zinc/07/36/35/277073635.db2.gz HZGMNEMSGMYZGA-RISCZKNCSA-N 2 1 312.379 3.413 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192062293 277079024 /nfs/dbraw/zinc/07/90/24/277079024.db2.gz XRDLAURNSNYJKE-GVDBMIGSSA-N 2 1 308.853 3.244 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414176442 277082713 /nfs/dbraw/zinc/08/27/13/277082713.db2.gz IDIKAYBBAVDRRB-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)C[C@H]1c1ccccc1 ZINC000340301332 277138073 /nfs/dbraw/zinc/13/80/73/277138073.db2.gz MTONLIMZOJEYBM-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)C[C@H]1c1ccccc1 ZINC000340301332 277138074 /nfs/dbraw/zinc/13/80/74/277138074.db2.gz MTONLIMZOJEYBM-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901815 277175217 /nfs/dbraw/zinc/17/52/17/277175217.db2.gz SOFOGTXSNDRACN-INIZCTEOSA-N 2 1 310.482 3.059 20 0 DGADMP CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901815 277175218 /nfs/dbraw/zinc/17/52/18/277175218.db2.gz SOFOGTXSNDRACN-INIZCTEOSA-N 2 1 310.482 3.059 20 0 DGADMP COCCCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184751183 277204331 /nfs/dbraw/zinc/20/43/31/277204331.db2.gz UXTWZSOJWMZYGB-JJTKIYQPSA-N 2 1 304.478 3.159 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000449625046 277281723 /nfs/dbraw/zinc/28/17/23/277281723.db2.gz AOPMVEVMTYAYGX-LPWQTFTOSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000449625046 277281724 /nfs/dbraw/zinc/28/17/24/277281724.db2.gz AOPMVEVMTYAYGX-LPWQTFTOSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[NH+]1CCCC1 ZINC000245544287 277898042 /nfs/dbraw/zinc/89/80/42/277898042.db2.gz AZKDAENJBBZYTJ-XDNAFOTISA-N 2 1 306.494 3.044 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422873472 278003569 /nfs/dbraw/zinc/00/35/69/278003569.db2.gz ALWOUFSDNZZKMB-UJMXGEILSA-N 2 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422873472 278003570 /nfs/dbraw/zinc/00/35/70/278003570.db2.gz ALWOUFSDNZZKMB-UJMXGEILSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422873472 278003573 /nfs/dbraw/zinc/00/35/73/278003573.db2.gz ALWOUFSDNZZKMB-UJMXGEILSA-N 3 1 321.553 3.255 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C2 ZINC000453407031 278031895 /nfs/dbraw/zinc/03/18/95/278031895.db2.gz RRYTWEVPWSVYFL-MRXNPFEDSA-N 2 1 302.462 3.017 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423264276 278210166 /nfs/dbraw/zinc/21/01/66/278210166.db2.gz PSRAEKUTQWDXLG-UGSOOPFHSA-N 2 1 303.450 3.203 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422983161 278230308 /nfs/dbraw/zinc/23/03/08/278230308.db2.gz YROGJDRUNNENCO-VDGAXYAQSA-N 2 1 312.457 3.048 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000131454679 292655408 /nfs/dbraw/zinc/65/54/08/292655408.db2.gz VRECMKCEKNXROW-KRWDZBQOSA-N 2 1 314.477 3.314 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414769857 278265924 /nfs/dbraw/zinc/26/59/24/278265924.db2.gz XKNGYPLSUQXQTF-BBRMVZONSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000122845625 278335477 /nfs/dbraw/zinc/33/54/77/278335477.db2.gz PYHSMFZFMBWNSB-CQSZACIVSA-N 2 1 316.445 3.125 20 0 DGADMP C[C@@H]([NH2+]CCc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274894730 278349082 /nfs/dbraw/zinc/34/90/82/278349082.db2.gz KABIWPCVJFUHOY-NVXWUHKLSA-N 2 1 315.486 3.186 20 0 DGADMP CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000423068205 288050020 /nfs/dbraw/zinc/05/00/20/288050020.db2.gz BDUUBYNJKLWISN-GTAWCEEGSA-N 2 1 318.505 3.127 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1Br ZINC000423391813 288070523 /nfs/dbraw/zinc/07/05/23/288070523.db2.gz LBOPKDDSOIRQIQ-BYCMXARLSA-N 2 1 311.267 3.488 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422717667 278782196 /nfs/dbraw/zinc/78/21/96/278782196.db2.gz WADFQSWBYCDYCL-GBESFXJTSA-N 3 1 309.542 3.399 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282956525 279044753 /nfs/dbraw/zinc/04/47/53/279044753.db2.gz KCEYVMZTVYFLOX-RYQLBKOJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282956525 279044755 /nfs/dbraw/zinc/04/47/55/279044755.db2.gz KCEYVMZTVYFLOX-RYQLBKOJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000178188338 288103260 /nfs/dbraw/zinc/10/32/60/288103260.db2.gz XOFDSSJGFUSIJA-NONVJHHQSA-N 2 1 323.912 3.261 20 0 DGADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000158654820 279157388 /nfs/dbraw/zinc/15/73/88/279157388.db2.gz BUSQDDWPVSGEMY-KKUMJFAQSA-N 2 1 304.482 3.112 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000262105307 279165665 /nfs/dbraw/zinc/16/56/65/279165665.db2.gz JFWFZPNCKVFOOQ-GBESFXJTSA-N 2 1 303.494 3.177 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000162066855 279170474 /nfs/dbraw/zinc/17/04/74/279170474.db2.gz DCQFBMIRFZHEEI-GOSISDBHSA-N 2 1 301.434 3.027 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000162066855 279170477 /nfs/dbraw/zinc/17/04/77/279170477.db2.gz DCQFBMIRFZHEEI-GOSISDBHSA-N 2 1 301.434 3.027 20 0 DGADMP CC(C)Cc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423120796 279244282 /nfs/dbraw/zinc/24/42/82/279244282.db2.gz HQHYWATYZMYEJE-MDZRGWNJSA-N 2 1 305.510 3.203 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000245950332 279373009 /nfs/dbraw/zinc/37/30/09/279373009.db2.gz YPLRZRLLIVAASI-CVEARBPZSA-N 2 1 321.896 3.113 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422858446 279384696 /nfs/dbraw/zinc/38/46/96/279384696.db2.gz IRHPKZSIIPTLIA-LPHOPBHVSA-N 3 1 303.494 3.134 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000070189668 431246869 /nfs/dbraw/zinc/24/68/69/431246869.db2.gz FUFNGJNFOMLMMC-UHFFFAOYSA-N 2 1 305.447 3.225 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000113516123 431351297 /nfs/dbraw/zinc/35/12/97/431351297.db2.gz OWIPWOWHDRTTQK-CQSZACIVSA-N 2 1 316.367 3.011 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000113516123 431351307 /nfs/dbraw/zinc/35/13/07/431351307.db2.gz OWIPWOWHDRTTQK-CQSZACIVSA-N 2 1 316.367 3.011 20 0 DGADMP COCCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109643 431527699 /nfs/dbraw/zinc/52/76/99/431527699.db2.gz RLLQVQVVXUOCSI-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP COCCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109643 431527703 /nfs/dbraw/zinc/52/77/03/431527703.db2.gz RLLQVQVVXUOCSI-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP COCCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109643 431527709 /nfs/dbraw/zinc/52/77/09/431527709.db2.gz RLLQVQVVXUOCSI-LJQANCHMSA-N 2 1 304.478 3.257 20 0 DGADMP CC[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154501 431531665 /nfs/dbraw/zinc/53/16/65/431531665.db2.gz AXEKXEQULLMSGR-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP CC[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154501 431531670 /nfs/dbraw/zinc/53/16/70/431531670.db2.gz AXEKXEQULLMSGR-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154501 431531678 /nfs/dbraw/zinc/53/16/78/431531678.db2.gz AXEKXEQULLMSGR-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP CC[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154501 431531681 /nfs/dbraw/zinc/53/16/81/431531681.db2.gz AXEKXEQULLMSGR-HXUWFJFHSA-N 2 1 309.457 3.426 20 0 DGADMP Cc1cnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000075685580 431491087 /nfs/dbraw/zinc/49/10/87/431491087.db2.gz PLLPMEBWCQBNOE-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000075685580 431491094 /nfs/dbraw/zinc/49/10/94/431491094.db2.gz PLLPMEBWCQBNOE-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)c1 ZINC000075834613 431500031 /nfs/dbraw/zinc/50/00/31/431500031.db2.gz CUAIEGRCIXJKLU-IBGZPJMESA-N 2 1 324.472 3.180 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000076004885 431513955 /nfs/dbraw/zinc/51/39/55/431513955.db2.gz IYIJUUSCDJLGRY-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000076004885 431513963 /nfs/dbraw/zinc/51/39/63/431513963.db2.gz IYIJUUSCDJLGRY-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154949355 280275022 /nfs/dbraw/zinc/27/50/22/280275022.db2.gz BZKAVCAUTZMVMY-HOCLYGCPSA-N 2 1 315.461 3.028 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H](C)C3CCCC3)CC2)nc(C)[nH+]1 ZINC000162307626 280544497 /nfs/dbraw/zinc/54/44/97/280544497.db2.gz BKVXXFXSAUEDQI-AWEZNQCLSA-N 2 1 302.466 3.231 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000081516786 431791954 /nfs/dbraw/zinc/79/19/54/431791954.db2.gz UIDZVCOFFSFOLZ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000081516786 431791961 /nfs/dbraw/zinc/79/19/61/431791961.db2.gz UIDZVCOFFSFOLZ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000081516786 431791966 /nfs/dbraw/zinc/79/19/66/431791966.db2.gz UIDZVCOFFSFOLZ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000081516786 431791971 /nfs/dbraw/zinc/79/19/71/431791971.db2.gz UIDZVCOFFSFOLZ-INIZCTEOSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000081516788 431792463 /nfs/dbraw/zinc/79/24/63/431792463.db2.gz UIDZVCOFFSFOLZ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(SC)cc2)C1 ZINC000081516788 431792466 /nfs/dbraw/zinc/79/24/66/431792466.db2.gz UIDZVCOFFSFOLZ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000081516788 431792473 /nfs/dbraw/zinc/79/24/73/431792473.db2.gz UIDZVCOFFSFOLZ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000081516788 431792479 /nfs/dbraw/zinc/79/24/79/431792479.db2.gz UIDZVCOFFSFOLZ-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081630791 431794242 /nfs/dbraw/zinc/79/42/42/431794242.db2.gz ZATWZAGHFFRIFE-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000081630791 431794250 /nfs/dbraw/zinc/79/42/50/431794250.db2.gz ZATWZAGHFFRIFE-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081630791 431794254 /nfs/dbraw/zinc/79/42/54/431794254.db2.gz ZATWZAGHFFRIFE-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000081630791 431794259 /nfs/dbraw/zinc/79/42/59/431794259.db2.gz ZATWZAGHFFRIFE-MRXNPFEDSA-N 2 1 322.880 3.383 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121437445 431787044 /nfs/dbraw/zinc/78/70/44/431787044.db2.gz LVTBVUTWYJEUPN-HZPDHXFCSA-N 2 1 315.461 3.447 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000037256179 431844905 /nfs/dbraw/zinc/84/49/05/431844905.db2.gz YOMXBVFUCPHSGY-JTQLQIEISA-N 2 1 315.230 3.333 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000123098633 431854900 /nfs/dbraw/zinc/85/49/00/431854900.db2.gz HSHBCUHSNAPDRL-PMACEKPBSA-N 2 1 316.489 3.241 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427388 431865613 /nfs/dbraw/zinc/86/56/13/431865613.db2.gz DBUSQURYZYVVJU-MOPGFXCFSA-N 2 1 307.526 3.059 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425949 431865829 /nfs/dbraw/zinc/86/58/29/431865829.db2.gz FQKBXQPJMGPSBO-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425949 431865830 /nfs/dbraw/zinc/86/58/30/431865830.db2.gz FQKBXQPJMGPSBO-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425949 431865832 /nfs/dbraw/zinc/86/58/32/431865832.db2.gz FQKBXQPJMGPSBO-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000089425949 431865833 /nfs/dbraw/zinc/86/58/33/431865833.db2.gz FQKBXQPJMGPSBO-MOPGFXCFSA-N 2 1 302.462 3.152 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC(F)(F)F)CC1 ZINC000122203527 431819882 /nfs/dbraw/zinc/81/98/82/431819882.db2.gz UYADNBDMBIBECA-UHFFFAOYSA-N 2 1 310.404 3.009 20 0 DGADMP c1csc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000035052754 431824192 /nfs/dbraw/zinc/82/41/92/431824192.db2.gz XZNYJGKXBRRSTA-UHFFFAOYSA-N 2 1 304.463 3.104 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092564741 431909632 /nfs/dbraw/zinc/90/96/32/431909632.db2.gz MZQMVDSPTOQAMP-QQFBHYJXSA-N 2 1 312.498 3.207 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092564741 431909633 /nfs/dbraw/zinc/90/96/33/431909633.db2.gz MZQMVDSPTOQAMP-QQFBHYJXSA-N 2 1 312.498 3.207 20 0 DGADMP Cc1nccn1CCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000125244977 431918195 /nfs/dbraw/zinc/91/81/95/431918195.db2.gz NRTYYYFHFIFEHT-IBGZPJMESA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000125244977 431918198 /nfs/dbraw/zinc/91/81/98/431918198.db2.gz NRTYYYFHFIFEHT-IBGZPJMESA-N 2 1 312.461 3.182 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000125244977 431918201 /nfs/dbraw/zinc/91/82/01/431918201.db2.gz NRTYYYFHFIFEHT-IBGZPJMESA-N 2 1 312.461 3.182 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000044529574 431874965 /nfs/dbraw/zinc/87/49/65/431874965.db2.gz QZKDCSMZCRSOPA-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000044529574 431874966 /nfs/dbraw/zinc/87/49/66/431874966.db2.gz QZKDCSMZCRSOPA-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000124202824 431886384 /nfs/dbraw/zinc/88/63/84/431886384.db2.gz JKDQXJRWICXUDE-UOSKARGWSA-N 2 1 316.489 3.433 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1ccccc1Br ZINC000124227265 431886982 /nfs/dbraw/zinc/88/69/82/431886982.db2.gz FZHNXPDSJPVLFT-UHFFFAOYSA-N 2 1 308.223 3.168 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000090920452 431897602 /nfs/dbraw/zinc/89/76/02/431897602.db2.gz YXJNONUFOFXKHA-JFIYKMOQSA-N 2 1 319.468 3.114 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000090920573 431897767 /nfs/dbraw/zinc/89/77/67/431897767.db2.gz GZTLEZIUPPSNOR-KONPQCLYSA-N 2 1 319.468 3.113 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704494 431901887 /nfs/dbraw/zinc/90/18/87/431901887.db2.gz SDYSKRINWQVPHS-IAGOWNOFSA-N 2 1 316.445 3.079 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704494 431901888 /nfs/dbraw/zinc/90/18/88/431901888.db2.gz SDYSKRINWQVPHS-IAGOWNOFSA-N 2 1 316.445 3.079 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704494 431901891 /nfs/dbraw/zinc/90/18/91/431901891.db2.gz SDYSKRINWQVPHS-IAGOWNOFSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704494 431901892 /nfs/dbraw/zinc/90/18/92/431901892.db2.gz SDYSKRINWQVPHS-IAGOWNOFSA-N 2 1 316.445 3.079 20 0 DGADMP COc1ccc([C@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000124749459 431903656 /nfs/dbraw/zinc/90/36/56/431903656.db2.gz FXSFDKFBBKHONA-MAUKXSAKSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c(OC)c1 ZINC000124749459 431903657 /nfs/dbraw/zinc/90/36/57/431903657.db2.gz FXSFDKFBBKHONA-MAUKXSAKSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c(OC)c1 ZINC000124749459 431903660 /nfs/dbraw/zinc/90/36/60/431903660.db2.gz FXSFDKFBBKHONA-MAUKXSAKSA-N 2 1 318.461 3.325 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000124749459 431903661 /nfs/dbraw/zinc/90/36/61/431903661.db2.gz FXSFDKFBBKHONA-MAUKXSAKSA-N 2 1 318.461 3.325 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000091469200 431905497 /nfs/dbraw/zinc/90/54/97/431905497.db2.gz LEQNPCNIMYXNME-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1Br ZINC000091469200 431905500 /nfs/dbraw/zinc/90/55/00/431905500.db2.gz LEQNPCNIMYXNME-JKSUJKDBSA-N 2 1 323.278 3.474 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2cc(Cl)cc3c2OCC3)[C@H](C)C1 ZINC000125930442 431939097 /nfs/dbraw/zinc/93/90/97/431939097.db2.gz YSDRKPSQIXSKNN-MLGOLLRUSA-N 2 1 308.853 3.095 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000098150338 431980256 /nfs/dbraw/zinc/98/02/56/431980256.db2.gz MKCUXLHPVTYZCS-WMZOPIPTSA-N 2 1 322.880 3.010 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CC3 ZINC000491034425 281035435 /nfs/dbraw/zinc/03/54/35/281035435.db2.gz SJAXWDYIUBYANO-IIDMSEBBSA-N 2 1 311.473 3.263 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CC3 ZINC000491034425 281035436 /nfs/dbraw/zinc/03/54/36/281035436.db2.gz SJAXWDYIUBYANO-IIDMSEBBSA-N 2 1 311.473 3.263 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102420101 431993328 /nfs/dbraw/zinc/99/33/28/431993328.db2.gz SSXVUDKWYLZNRV-INIZCTEOSA-N 2 1 300.446 3.317 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102420101 431993329 /nfs/dbraw/zinc/99/33/29/431993329.db2.gz SSXVUDKWYLZNRV-INIZCTEOSA-N 2 1 300.446 3.317 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000270659796 432271735 /nfs/dbraw/zinc/27/17/35/432271735.db2.gz OODDJHHMABMXSL-UHFFFAOYSA-N 2 1 322.250 3.129 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1ccc(Br)cc1 ZINC000270659796 432271738 /nfs/dbraw/zinc/27/17/38/432271738.db2.gz OODDJHHMABMXSL-UHFFFAOYSA-N 2 1 322.250 3.129 20 0 DGADMP COc1cc(C[N@H+](C)CCn2cc[nH+]c2C)ccc1SC ZINC000270654112 432272175 /nfs/dbraw/zinc/27/21/75/432272175.db2.gz MRWCTSFZQYFTAZ-UHFFFAOYSA-N 2 1 305.447 3.054 20 0 DGADMP COc1cc(C[N@@H+](C)CCn2cc[nH+]c2C)ccc1SC ZINC000270654112 432272180 /nfs/dbraw/zinc/27/21/80/432272180.db2.gz MRWCTSFZQYFTAZ-UHFFFAOYSA-N 2 1 305.447 3.054 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cncc(F)c2)[C@@H](C)C1 ZINC000248170554 432273583 /nfs/dbraw/zinc/27/35/83/432273583.db2.gz URGPNJKGFGVQDV-MPGHIAIKSA-N 2 1 323.456 3.008 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)[C@@H](C)C1 ZINC000248170554 432273588 /nfs/dbraw/zinc/27/35/88/432273588.db2.gz URGPNJKGFGVQDV-MPGHIAIKSA-N 2 1 323.456 3.008 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000248171137 432274431 /nfs/dbraw/zinc/27/44/31/432274431.db2.gz UVARDIUDKZNXRS-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000248171137 432274436 /nfs/dbraw/zinc/27/44/36/432274436.db2.gz UVARDIUDKZNXRS-AQNXPRMDSA-N 2 1 314.473 3.152 20 0 DGADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248172716 432274890 /nfs/dbraw/zinc/27/48/90/432274890.db2.gz VBVLNVNDTNLRLT-ROUUACIJSA-N 2 1 302.462 3.098 20 0 DGADMP CC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000151903681 432287506 /nfs/dbraw/zinc/28/75/06/432287506.db2.gz CVEFFIMKZHYCLR-VQTJNVASSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248461309 432295146 /nfs/dbraw/zinc/29/51/46/432295146.db2.gz XIECTHVVBBUCPB-UTKZUKDTSA-N 2 1 324.468 3.494 20 0 DGADMP O[C@@H](C[C@@H]1CCCCC[N@H+]1CCn1ccnc1)c1ccccc1 ZINC000270881646 432299091 /nfs/dbraw/zinc/29/90/91/432299091.db2.gz NNVVPQKWQPCZAO-OALUTQOASA-N 2 1 313.445 3.251 20 0 DGADMP CCN(CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000248033444 432262834 /nfs/dbraw/zinc/26/28/34/432262834.db2.gz QWOXAJIHYNEORI-ZHALLVOQSA-N 2 1 303.494 3.221 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183195706 432267806 /nfs/dbraw/zinc/26/78/06/432267806.db2.gz VOASQTQUCBZVJG-OFQRWUPVSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183195706 432267808 /nfs/dbraw/zinc/26/78/08/432267808.db2.gz VOASQTQUCBZVJG-OFQRWUPVSA-N 2 1 304.482 3.032 20 0 DGADMP CCn1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000183197713 432268462 /nfs/dbraw/zinc/26/84/62/432268462.db2.gz JBSBRZQGZAPCED-BZUAXINKSA-N 2 1 304.482 3.207 20 0 DGADMP CCn1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000183197713 432268467 /nfs/dbraw/zinc/26/84/67/432268467.db2.gz JBSBRZQGZAPCED-BZUAXINKSA-N 2 1 304.482 3.207 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152401953 432330869 /nfs/dbraw/zinc/33/08/69/432330869.db2.gz NLEVIJLUXSWGPW-SUMWQHHRSA-N 2 1 304.409 3.113 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152401953 432330872 /nfs/dbraw/zinc/33/08/72/432330872.db2.gz NLEVIJLUXSWGPW-SUMWQHHRSA-N 2 1 304.409 3.113 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249160820 432342131 /nfs/dbraw/zinc/34/21/31/432342131.db2.gz ZSPWYIRRKFDQEA-MOPGFXCFSA-N 2 1 314.473 3.066 20 0 DGADMP COc1cccc2c1CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C2 ZINC000192443469 432374892 /nfs/dbraw/zinc/37/48/92/432374892.db2.gz OLCKCZMDOCWJDD-QGZVFWFLSA-N 2 1 313.445 3.127 20 0 DGADMP Brc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252674552 432385707 /nfs/dbraw/zinc/38/57/07/432385707.db2.gz RYQPGENCZVAOGI-NEPJUHHUSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252674552 432385710 /nfs/dbraw/zinc/38/57/10/432385710.db2.gz RYQPGENCZVAOGI-NEPJUHHUSA-N 2 1 315.280 3.227 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000175018849 432390900 /nfs/dbraw/zinc/39/09/00/432390900.db2.gz YPPLYEXFDDKWFV-LJQANCHMSA-N 2 1 320.452 3.292 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174628677 432360414 /nfs/dbraw/zinc/36/04/14/432360414.db2.gz ZEWXSKQOLDIBPD-ZWNOBZJWSA-N 2 1 317.296 3.331 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174628677 432360416 /nfs/dbraw/zinc/36/04/16/432360416.db2.gz ZEWXSKQOLDIBPD-ZWNOBZJWSA-N 2 1 317.296 3.331 20 0 DGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000249839743 432360704 /nfs/dbraw/zinc/36/07/04/432360704.db2.gz NHPJDWRUPNDXLJ-YJBOKZPZSA-N 2 1 324.896 3.270 20 0 DGADMP CC(C)[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192741140 432407036 /nfs/dbraw/zinc/40/70/36/432407036.db2.gz NHRKHHIUWFROAD-LJQANCHMSA-N 2 1 309.542 3.161 20 0 DGADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000261541532 432429899 /nfs/dbraw/zinc/42/98/99/432429899.db2.gz BGEFZJZLXYXNAF-TZIWHRDSSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000261541532 432429901 /nfs/dbraw/zinc/42/99/01/432429901.db2.gz BGEFZJZLXYXNAF-TZIWHRDSSA-N 2 1 322.452 3.449 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000261551632 432431164 /nfs/dbraw/zinc/43/11/64/432431164.db2.gz QQAHRBLCWKSOGF-SFHVURJKSA-N 2 1 310.441 3.307 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000261551632 432431165 /nfs/dbraw/zinc/43/11/65/432431165.db2.gz QQAHRBLCWKSOGF-SFHVURJKSA-N 2 1 310.441 3.307 20 0 DGADMP c1coc(-c2ncc(C[NH2+]CCC[NH+]3CCCCC3)s2)c1 ZINC000192984837 432437952 /nfs/dbraw/zinc/43/79/52/432437952.db2.gz PQBQPLCCDDHRSV-UHFFFAOYSA-N 2 1 305.447 3.369 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000261654160 432438533 /nfs/dbraw/zinc/43/85/33/432438533.db2.gz HQPVLHXDNOKCTC-QAPCUYQASA-N 2 1 302.368 3.139 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000261654160 432438537 /nfs/dbraw/zinc/43/85/37/432438537.db2.gz HQPVLHXDNOKCTC-QAPCUYQASA-N 2 1 302.368 3.139 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000261662087 432439149 /nfs/dbraw/zinc/43/91/49/432439149.db2.gz JGRKKTXTNBJFIJ-SFHVURJKSA-N 2 1 301.478 3.357 20 0 DGADMP C[N@H+](Cc1ccc(Br)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261751534 432446218 /nfs/dbraw/zinc/44/62/18/432446218.db2.gz CGCCGZNZDXONTJ-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261751534 432446223 /nfs/dbraw/zinc/44/62/23/432446223.db2.gz CGCCGZNZDXONTJ-UHFFFAOYSA-N 2 1 317.658 3.286 20 0 DGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000193134020 432451566 /nfs/dbraw/zinc/45/15/66/432451566.db2.gz JOPFMYUMCUAFPM-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(OCCC)c1 ZINC000261843664 432454684 /nfs/dbraw/zinc/45/46/84/432454684.db2.gz QTRSQZIKXUMVJE-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(OCCC)c1 ZINC000261843664 432454688 /nfs/dbraw/zinc/45/46/88/432454688.db2.gz QTRSQZIKXUMVJE-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261889208 432458575 /nfs/dbraw/zinc/45/85/75/432458575.db2.gz ZMRKLNRGAWXCPO-UXPWSPDFSA-N 2 1 310.416 3.487 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCc3ccccn3)CC2)cc1 ZINC000271525581 432415615 /nfs/dbraw/zinc/41/56/15/432415615.db2.gz PZVLRTIOXDEGJT-UHFFFAOYSA-N 2 1 323.484 3.311 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000271525722 432415640 /nfs/dbraw/zinc/41/56/40/432415640.db2.gz REAKYSOEYKUDKZ-PKOBYXMFSA-N 2 1 316.489 3.303 20 0 DGADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000153621162 432425911 /nfs/dbraw/zinc/42/59/11/432425911.db2.gz FSUXTVSOEDFJQP-HKUYNNGSSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271875189 432426999 /nfs/dbraw/zinc/42/69/99/432426999.db2.gz RLLXVOBHZZVMQK-VIFPVBQESA-N 2 1 302.249 3.320 20 0 DGADMP CCC[C@](C)([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000262095459 432474289 /nfs/dbraw/zinc/47/42/89/432474289.db2.gz BOHVVBJHOYHFGA-LPHOPBHVSA-N 2 1 323.525 3.007 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136202 432475501 /nfs/dbraw/zinc/47/55/01/432475501.db2.gz YSJJJXFWKYCKDW-CZUORRHYSA-N 2 1 323.278 3.238 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000262136202 432475505 /nfs/dbraw/zinc/47/55/05/432475505.db2.gz YSJJJXFWKYCKDW-CZUORRHYSA-N 2 1 323.278 3.238 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000185212442 432478220 /nfs/dbraw/zinc/47/82/20/432478220.db2.gz LHTPRUHUPMBUOJ-KRWDZBQOSA-N 2 1 309.417 3.074 20 0 DGADMP C[C@H](Nc1ncnc2[nH]ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321386 432480812 /nfs/dbraw/zinc/48/08/12/432480812.db2.gz UCDUEGHSTHXBNJ-GOEBONIOSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272321386 432480818 /nfs/dbraw/zinc/48/08/18/432480818.db2.gz UCDUEGHSTHXBNJ-GOEBONIOSA-N 2 1 321.428 3.280 20 0 DGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272321386 432480820 /nfs/dbraw/zinc/48/08/20/432480820.db2.gz UCDUEGHSTHXBNJ-GOEBONIOSA-N 2 1 321.428 3.280 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]21 ZINC000262372293 432483610 /nfs/dbraw/zinc/48/36/10/432483610.db2.gz XOFQKBJFDPIJNN-NILFDRSVSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]21 ZINC000262372293 432483612 /nfs/dbraw/zinc/48/36/12/432483612.db2.gz XOFQKBJFDPIJNN-NILFDRSVSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]12 ZINC000262473181 432488359 /nfs/dbraw/zinc/48/83/59/432488359.db2.gz JKGHRVZVOGDOKD-APHBMKBZSA-N 2 1 317.820 3.164 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]12 ZINC000262473181 432488361 /nfs/dbraw/zinc/48/83/61/432488361.db2.gz JKGHRVZVOGDOKD-APHBMKBZSA-N 2 1 317.820 3.164 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000272376080 432490248 /nfs/dbraw/zinc/49/02/48/432490248.db2.gz CTLPOUQJZJPDAK-ZMHJYQQXSA-N 2 1 314.473 3.197 20 0 DGADMP C[NH+](C)C(C)(C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272438290 432501047 /nfs/dbraw/zinc/50/10/47/432501047.db2.gz SHQIVZUUDHGRPA-REPLKXPHSA-N 2 1 315.505 3.112 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000176282784 432507000 /nfs/dbraw/zinc/50/70/00/432507000.db2.gz IQQFGOMPTCLQPI-AWEZNQCLSA-N 2 1 320.868 3.151 20 0 DGADMP C[C@H]([NH2+]CCc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272481388 432508883 /nfs/dbraw/zinc/50/88/83/432508883.db2.gz MFEYTEMUCDNSFZ-FXAWDEMLSA-N 2 1 309.457 3.124 20 0 DGADMP Cc1cccnc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000154623199 432511328 /nfs/dbraw/zinc/51/13/28/432511328.db2.gz NFKQUBXTHCAXRC-PKOBYXMFSA-N 2 1 309.457 3.390 20 0 DGADMP CC(C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCC1 ZINC000193964580 432511998 /nfs/dbraw/zinc/51/19/98/432511998.db2.gz AZKDAENJBBZYTJ-VSZNYVQBSA-N 2 1 306.494 3.044 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261956267 432464223 /nfs/dbraw/zinc/46/42/23/432464223.db2.gz ORXHBKIIRPVVEN-YTQUADARSA-N 2 1 322.456 3.019 20 0 DGADMP COc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000154061771 432467971 /nfs/dbraw/zinc/46/79/71/432467971.db2.gz KOLTZHAAFIPDRQ-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000154061771 432467976 /nfs/dbraw/zinc/46/79/76/432467976.db2.gz KOLTZHAAFIPDRQ-QGZVFWFLSA-N 2 1 318.461 3.024 20 0 DGADMP COC1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000273161470 432559451 /nfs/dbraw/zinc/55/94/51/432559451.db2.gz KPPMVWNUXRXQEE-HSFDUWRESA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193975821 432514081 /nfs/dbraw/zinc/51/40/81/432514081.db2.gz KKHOMWHONLNPBT-BSDSXHPESA-N 2 1 306.494 3.046 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185623438 432516444 /nfs/dbraw/zinc/51/64/44/432516444.db2.gz IKLXBJWBRXGGKM-HIFRSBDPSA-N 2 1 306.425 3.274 20 0 DGADMP C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185623438 432516451 /nfs/dbraw/zinc/51/64/51/432516451.db2.gz IKLXBJWBRXGGKM-HIFRSBDPSA-N 2 1 306.425 3.274 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524294 /nfs/dbraw/zinc/52/42/94/432524294.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524299 /nfs/dbraw/zinc/52/42/99/432524299.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524302 /nfs/dbraw/zinc/52/43/02/432524302.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 3 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@H](NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524307 /nfs/dbraw/zinc/52/43/07/432524307.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524311 /nfs/dbraw/zinc/52/43/11/432524311.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524316 /nfs/dbraw/zinc/52/43/16/432524316.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@H](NCc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524318 /nfs/dbraw/zinc/52/43/18/432524318.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524322 /nfs/dbraw/zinc/52/43/22/432524322.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000154854510 432524324 /nfs/dbraw/zinc/52/43/24/432524324.db2.gz RSIGLCRHPODCII-XLIONFOSSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273501767 432605302 /nfs/dbraw/zinc/60/53/02/432605302.db2.gz YWZLNKYDPVDGTL-ROUUACIJSA-N 2 1 306.425 3.120 20 0 DGADMP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000186587808 432610383 /nfs/dbraw/zinc/61/03/83/432610383.db2.gz SANNUFYAIPFOGV-MOKVOYLWSA-N 2 1 304.400 3.429 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000195307163 432617305 /nfs/dbraw/zinc/61/73/05/432617305.db2.gz DUBLJTDQADWATM-UHFFFAOYSA-N 2 1 314.433 3.041 20 0 DGADMP CC(C)N(C)CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000195307163 432617308 /nfs/dbraw/zinc/61/73/08/432617308.db2.gz DUBLJTDQADWATM-UHFFFAOYSA-N 2 1 314.433 3.041 20 0 DGADMP C[C@@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686370 432604816 /nfs/dbraw/zinc/60/48/16/432604816.db2.gz BNINJAFPIVTWCY-MSOLQXFVSA-N 2 1 307.526 3.248 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC)[C@@H](C)C1 ZINC000157959725 432634319 /nfs/dbraw/zinc/63/43/19/432634319.db2.gz YCUJALOTCKCSJX-PXNSSMCTSA-N 2 1 318.505 3.476 20 0 DGADMP c1cc2c(nc[nH+]c2N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH]1 ZINC000264335690 432637390 /nfs/dbraw/zinc/63/73/90/432637390.db2.gz ULIJNRHCLDCNQY-OAHLLOKOSA-N 2 1 313.449 3.050 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000264343534 432637482 /nfs/dbraw/zinc/63/74/82/432637482.db2.gz DYVYIPGICDKBHA-APWZRJJASA-N 2 1 304.478 3.162 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158249037 432641745 /nfs/dbraw/zinc/64/17/45/432641745.db2.gz SSRJPGOOMWZFKR-NEPJUHHUSA-N 2 1 316.367 3.420 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000158249037 432641749 /nfs/dbraw/zinc/64/17/49/432641749.db2.gz SSRJPGOOMWZFKR-NEPJUHHUSA-N 2 1 316.367 3.420 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(C)s1 ZINC000158875308 432660298 /nfs/dbraw/zinc/66/02/98/432660298.db2.gz WFPQWBHPIMXWAP-ZBFHGGJFSA-N 2 1 310.507 3.108 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(C)s1 ZINC000158875579 432661576 /nfs/dbraw/zinc/66/15/76/432661576.db2.gz WFPQWBHPIMXWAP-GDBMZVCRSA-N 2 1 310.507 3.108 20 0 DGADMP CCn1nc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000274402447 432663111 /nfs/dbraw/zinc/66/31/11/432663111.db2.gz GEFMVMBBCJEGOI-UHFFFAOYSA-N 2 1 322.456 3.408 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158909005 432663379 /nfs/dbraw/zinc/66/33/79/432663379.db2.gz DDJVIODXJGNLLS-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP CCn1ccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158909005 432663380 /nfs/dbraw/zinc/66/33/80/432663380.db2.gz DDJVIODXJGNLLS-KRWDZBQOSA-N 2 1 318.509 3.380 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)s1 ZINC000158991115 432666922 /nfs/dbraw/zinc/66/69/22/432666922.db2.gz WPQJEQHPEKJIHC-CABCVRRESA-N 2 1 310.507 3.054 20 0 DGADMP Cc1[nH+]ccn1CCCN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274430113 432667049 /nfs/dbraw/zinc/66/70/49/432667049.db2.gz GOOVHGQRGKNFLT-QGZVFWFLSA-N 2 1 319.836 3.309 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](CC)[NH+](CC)CC)c2C1 ZINC000265506377 432706280 /nfs/dbraw/zinc/70/62/80/432706280.db2.gz IOFDECAPGGYLOO-GOSISDBHSA-N 2 1 317.477 3.471 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](CC)[NH+](CC)CC)c2C1 ZINC000265506377 432706283 /nfs/dbraw/zinc/70/62/83/432706283.db2.gz IOFDECAPGGYLOO-GOSISDBHSA-N 2 1 317.477 3.471 20 0 DGADMP COCC[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000178216089 432707500 /nfs/dbraw/zinc/70/75/00/432707500.db2.gz CFWGCXYMHRVEFV-UHFFFAOYSA-N 2 1 322.415 3.056 20 0 DGADMP Cc1c(Cl)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nc2ccccc12 ZINC000228078334 432717419 /nfs/dbraw/zinc/71/74/19/432717419.db2.gz SKUNYTGTZBYIRF-YPMHNXCESA-N 2 1 303.837 3.366 20 0 DGADMP Cc1c(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nc2ccccc12 ZINC000228078334 432717423 /nfs/dbraw/zinc/71/74/23/432717423.db2.gz SKUNYTGTZBYIRF-YPMHNXCESA-N 2 1 303.837 3.366 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870407 432719509 /nfs/dbraw/zinc/71/95/09/432719509.db2.gz FMNFWVHENQPHCZ-IPELMVKDSA-N 2 1 324.472 3.287 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870407 432719515 /nfs/dbraw/zinc/71/95/15/432719515.db2.gz FMNFWVHENQPHCZ-IPELMVKDSA-N 2 1 324.472 3.287 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000178633560 432761734 /nfs/dbraw/zinc/76/17/34/432761734.db2.gz VCMRRKQJNYVNFD-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000178633560 432761737 /nfs/dbraw/zinc/76/17/37/432761737.db2.gz VCMRRKQJNYVNFD-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000178633560 432761743 /nfs/dbraw/zinc/76/17/43/432761743.db2.gz VCMRRKQJNYVNFD-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC000266556171 432764516 /nfs/dbraw/zinc/76/45/16/432764516.db2.gz MBMKJHXFVJAJKC-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC000266556171 432764521 /nfs/dbraw/zinc/76/45/21/432764521.db2.gz MBMKJHXFVJAJKC-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCCO1 ZINC000266556171 432764524 /nfs/dbraw/zinc/76/45/24/432764524.db2.gz MBMKJHXFVJAJKC-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170723 432778760 /nfs/dbraw/zinc/77/87/60/432778760.db2.gz HDDYEEVWFVQKSZ-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP C[N@H+]1CC[C@H]2CC[NH+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170723 432778763 /nfs/dbraw/zinc/77/87/63/432778763.db2.gz HDDYEEVWFVQKSZ-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2CC[N@H+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170723 432778767 /nfs/dbraw/zinc/77/87/67/432778767.db2.gz HDDYEEVWFVQKSZ-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCCCOc3ccccc3)[C@@H]2C1 ZINC000276170723 432778769 /nfs/dbraw/zinc/77/87/69/432778769.db2.gz HDDYEEVWFVQKSZ-PKOBYXMFSA-N 2 1 302.462 3.262 20 0 DGADMP CC(C)[N@@H+](C)CCCNCc1sccc1Br ZINC000231341361 432730780 /nfs/dbraw/zinc/73/07/80/432730780.db2.gz ZYCONIRCOIYGSH-UHFFFAOYSA-N 2 1 305.285 3.331 20 0 DGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000188687803 432738668 /nfs/dbraw/zinc/73/86/68/432738668.db2.gz KJEBZPYLKZQFPY-CEXWTWQISA-N 2 1 316.489 3.302 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)[C@H](C)C1 ZINC000178478903 432742371 /nfs/dbraw/zinc/74/23/71/432742371.db2.gz YGHCNVKLSDNMFK-CRAIPNDOSA-N 2 1 317.477 3.101 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623855 432829537 /nfs/dbraw/zinc/82/95/37/432829537.db2.gz VWFRVWQKSWVTTB-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP CN1CCC[C@H]1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623855 432829541 /nfs/dbraw/zinc/82/95/41/432829541.db2.gz VWFRVWQKSWVTTB-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1O ZINC000277310609 432836968 /nfs/dbraw/zinc/83/69/68/432836968.db2.gz VTVDMNFQAVXXIE-HNNXBMFYSA-N 2 1 320.477 3.186 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1O ZINC000277310609 432836972 /nfs/dbraw/zinc/83/69/72/432836972.db2.gz VTVDMNFQAVXXIE-HNNXBMFYSA-N 2 1 320.477 3.186 20 0 DGADMP COc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1C ZINC000161633803 432789217 /nfs/dbraw/zinc/78/92/17/432789217.db2.gz HIOJIDACIGQXKT-UHFFFAOYSA-N 2 1 301.434 3.421 20 0 DGADMP COc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1C ZINC000161633803 432789219 /nfs/dbraw/zinc/78/92/19/432789219.db2.gz HIOJIDACIGQXKT-UHFFFAOYSA-N 2 1 301.434 3.421 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000237534642 432789854 /nfs/dbraw/zinc/78/98/54/432789854.db2.gz KCCPFRUGPOHRQH-OAHLLOKOSA-N 2 1 318.461 3.200 20 0 DGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000237534642 432789864 /nfs/dbraw/zinc/78/98/64/432789864.db2.gz KCCPFRUGPOHRQH-OAHLLOKOSA-N 2 1 318.461 3.200 20 0 DGADMP Cc1nccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000161901465 432803612 /nfs/dbraw/zinc/80/36/12/432803612.db2.gz NVNQQCYSODDZOU-IBGZPJMESA-N 2 1 318.509 3.026 20 0 DGADMP C[N@@H+](CC[C@H]1CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000189671737 432809106 /nfs/dbraw/zinc/80/91/06/432809106.db2.gz QHWZFCXDORHOPU-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+](CC[C@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189671737 432809109 /nfs/dbraw/zinc/80/91/09/432809109.db2.gz QHWZFCXDORHOPU-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+](CC[C@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189671737 432809112 /nfs/dbraw/zinc/80/91/12/432809112.db2.gz QHWZFCXDORHOPU-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC000276466825 432810619 /nfs/dbraw/zinc/81/06/19/432810619.db2.gz XOWUSFSBMRKYRQ-RWQQGDIJSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCOC1 ZINC000162155837 432813870 /nfs/dbraw/zinc/81/38/70/432813870.db2.gz AUHFRCKTBQBKAD-AZUAARDMSA-N 2 1 316.489 3.364 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277542122 432859887 /nfs/dbraw/zinc/85/98/87/432859887.db2.gz QJHQRAYNLLQMMN-SFHVURJKSA-N 2 1 312.461 3.301 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277542122 432859889 /nfs/dbraw/zinc/85/98/89/432859889.db2.gz QJHQRAYNLLQMMN-SFHVURJKSA-N 2 1 312.461 3.301 20 0 DGADMP CCCOc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000277616839 432864043 /nfs/dbraw/zinc/86/40/43/432864043.db2.gz WWODZVXCVRCGRP-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000277616839 432864045 /nfs/dbraw/zinc/86/40/45/432864045.db2.gz WWODZVXCVRCGRP-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP CCCOc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000277616843 432864366 /nfs/dbraw/zinc/86/43/66/432864366.db2.gz WWODZVXCVRCGRP-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000277616843 432864368 /nfs/dbraw/zinc/86/43/68/432864368.db2.gz WWODZVXCVRCGRP-QGZVFWFLSA-N 2 1 320.477 3.400 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245851058 432864864 /nfs/dbraw/zinc/86/48/64/432864864.db2.gz GJSFYQJEFHMPAV-ILOCAZANSA-N 2 1 308.510 3.148 20 0 DGADMP CC(C)Oc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277732967 432873273 /nfs/dbraw/zinc/87/32/73/432873273.db2.gz JUWPHSBWAYMBQZ-KRWDZBQOSA-N 2 1 320.477 3.064 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000163225920 432846550 /nfs/dbraw/zinc/84/65/50/432846550.db2.gz VNUNVFATTSYQNU-LSDHHAIUSA-N 2 1 306.450 3.005 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cnc2ccsc2c1 ZINC000279000551 432925417 /nfs/dbraw/zinc/92/54/17/432925417.db2.gz RHSNVRKIVUWCTG-CHWSQXEVSA-N 2 1 312.442 3.406 20 0 DGADMP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000279038487 432928521 /nfs/dbraw/zinc/92/85/21/432928521.db2.gz WZMONPZVHYNAPT-QWHCGFSZSA-N 2 1 304.463 3.376 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000279054143 432930429 /nfs/dbraw/zinc/93/04/29/432930429.db2.gz YHNUUYDERSISCP-CZUORRHYSA-N 2 1 319.836 3.076 20 0 DGADMP CSC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000289224763 432936142 /nfs/dbraw/zinc/93/61/42/432936142.db2.gz JPDWQCHJNKNKRK-QGZVFWFLSA-N 2 1 304.503 3.036 20 0 DGADMP Cc1cnccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000296912513 432939207 /nfs/dbraw/zinc/93/92/07/432939207.db2.gz RMDCRJGPRSFBSK-UHFFFAOYSA-N 2 1 310.445 3.302 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278797421 432901215 /nfs/dbraw/zinc/90/12/15/432901215.db2.gz QWKCMNYBDIKQQC-LDLYASANSA-N 2 1 310.445 3.003 20 0 DGADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278797421 432901217 /nfs/dbraw/zinc/90/12/17/432901217.db2.gz QWKCMNYBDIKQQC-LDLYASANSA-N 2 1 310.445 3.003 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464406 432910824 /nfs/dbraw/zinc/91/08/24/432910824.db2.gz NLLMOSOFYJFABV-LZLYRXPVSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464406 432910827 /nfs/dbraw/zinc/91/08/27/432910827.db2.gz NLLMOSOFYJFABV-LZLYRXPVSA-N 2 1 304.478 3.036 20 0 DGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278903228 432915511 /nfs/dbraw/zinc/91/55/11/432915511.db2.gz FXBAPVGIADDXMO-AEFFLSMTSA-N 2 1 315.436 3.442 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000332219879 432986568 /nfs/dbraw/zinc/98/65/68/432986568.db2.gz LZOGJZGNNCRGCC-KFZJALRRSA-N 2 1 317.477 3.189 20 0 DGADMP Clc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000297317823 432992737 /nfs/dbraw/zinc/99/27/37/432992737.db2.gz CALVLTSQBPHKGI-MRXNPFEDSA-N 2 1 319.880 3.135 20 0 DGADMP Cc1cccc(N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)[nH+]1 ZINC000349706109 432994932 /nfs/dbraw/zinc/99/49/32/432994932.db2.gz UATYJQKKVOEUDP-UHFFFAOYSA-N 2 1 322.865 3.259 20 0 DGADMP Cn1cncc1CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000290130629 432997984 /nfs/dbraw/zinc/99/79/84/432997984.db2.gz UZZLLTILRPOOSD-HNNXBMFYSA-N 2 1 312.442 3.409 20 0 DGADMP CN(C)c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2n1 ZINC000297661441 433003092 /nfs/dbraw/zinc/00/30/92/433003092.db2.gz NVHNPRJXMRBHCT-UHFFFAOYSA-N 2 1 324.472 3.017 20 0 DGADMP CC[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)OC ZINC000290166730 433004808 /nfs/dbraw/zinc/00/48/08/433004808.db2.gz MHLCUPVYSUROGM-CTWPCTMYSA-N 2 1 304.478 3.444 20 0 DGADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000297757373 433015352 /nfs/dbraw/zinc/01/53/52/433015352.db2.gz UTSKMAMJYDWIJR-IEBWSBKVSA-N 2 1 318.436 3.262 20 0 DGADMP C[N@H+](Cc1cc(Cl)cc2c1OCC2)CC1CC[NH+](C)CC1 ZINC000341292587 433018368 /nfs/dbraw/zinc/01/83/68/433018368.db2.gz AHMYBTKYKQQSGH-UHFFFAOYSA-N 2 1 308.853 3.049 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290300220 433029294 /nfs/dbraw/zinc/02/92/94/433029294.db2.gz BGIVYBPMYWQQKF-KRWDZBQOSA-N 2 1 302.462 3.249 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2CCSCc2ccccc2)C1 ZINC000290324832 433033110 /nfs/dbraw/zinc/03/31/10/433033110.db2.gz DIMUIONSTJWOMQ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324832 433033114 /nfs/dbraw/zinc/03/31/14/433033114.db2.gz DIMUIONSTJWOMQ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCSCc2ccccc2)C1 ZINC000290324832 433033118 /nfs/dbraw/zinc/03/31/18/433033118.db2.gz DIMUIONSTJWOMQ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000290324832 433033123 /nfs/dbraw/zinc/03/31/23/433033123.db2.gz DIMUIONSTJWOMQ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCSCc2ccccc2)C1 ZINC000290324832 433033129 /nfs/dbraw/zinc/03/31/29/433033129.db2.gz DIMUIONSTJWOMQ-QZTJIDSGSA-N 2 1 304.503 3.336 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C(C)C)nc1C ZINC000290357907 433039019 /nfs/dbraw/zinc/03/90/19/433039019.db2.gz GOOWVNRWHNMEPD-UHFFFAOYSA-N 2 1 317.481 3.444 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C(C)C)nc1C ZINC000290357907 433039023 /nfs/dbraw/zinc/03/90/23/433039023.db2.gz GOOWVNRWHNMEPD-UHFFFAOYSA-N 2 1 317.481 3.444 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425283 433050537 /nfs/dbraw/zinc/05/05/37/433050537.db2.gz LAYMWJDLJQJUJZ-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425283 433050543 /nfs/dbraw/zinc/05/05/43/433050543.db2.gz LAYMWJDLJQJUJZ-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425283 433050545 /nfs/dbraw/zinc/05/05/45/433050545.db2.gz LAYMWJDLJQJUJZ-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425283 433050547 /nfs/dbraw/zinc/05/05/47/433050547.db2.gz LAYMWJDLJQJUJZ-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000290425283 433050548 /nfs/dbraw/zinc/05/05/48/433050548.db2.gz LAYMWJDLJQJUJZ-RHSMWYFYSA-N 2 1 302.462 3.172 20 0 DGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466274 433059995 /nfs/dbraw/zinc/05/99/95/433059995.db2.gz NGCJCCDPUYTWEA-WBVHZDCISA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466274 433060004 /nfs/dbraw/zinc/06/00/04/433060004.db2.gz NGCJCCDPUYTWEA-WBVHZDCISA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466274 433060009 /nfs/dbraw/zinc/06/00/09/433060009.db2.gz NGCJCCDPUYTWEA-WBVHZDCISA-N 2 1 320.477 3.254 20 0 DGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(C)C ZINC000290466274 433060018 /nfs/dbraw/zinc/06/00/18/433060018.db2.gz NGCJCCDPUYTWEA-WBVHZDCISA-N 2 1 320.477 3.254 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000290501529 433069699 /nfs/dbraw/zinc/06/96/99/433069699.db2.gz PDYVURFTQCYIBZ-UHFFFAOYSA-N 2 1 306.479 3.468 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000290501529 433069711 /nfs/dbraw/zinc/06/97/11/433069711.db2.gz PDYVURFTQCYIBZ-UHFFFAOYSA-N 2 1 306.479 3.468 20 0 DGADMP C[N@@H+](CCCCCOc1ccccc1)CCCn1ccnc1 ZINC000290553543 433092698 /nfs/dbraw/zinc/09/26/98/433092698.db2.gz RXDPUIKJMYQILH-UHFFFAOYSA-N 2 1 301.434 3.454 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000290634674 433126388 /nfs/dbraw/zinc/12/63/88/433126388.db2.gz YEDOIIJJFMHLIW-RLFYNMQTSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000290634674 433126398 /nfs/dbraw/zinc/12/63/98/433126398.db2.gz YEDOIIJJFMHLIW-RLFYNMQTSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000290634674 433126409 /nfs/dbraw/zinc/12/64/09/433126409.db2.gz YEDOIIJJFMHLIW-RLFYNMQTSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000290634674 433126424 /nfs/dbraw/zinc/12/64/24/433126424.db2.gz YEDOIIJJFMHLIW-RLFYNMQTSA-N 2 1 322.468 3.285 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000290632422 433126773 /nfs/dbraw/zinc/12/67/73/433126773.db2.gz YAPWLIGDEAYQAN-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000290632422 433126784 /nfs/dbraw/zinc/12/67/84/433126784.db2.gz YAPWLIGDEAYQAN-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000290632422 433126795 /nfs/dbraw/zinc/12/67/95/433126795.db2.gz YAPWLIGDEAYQAN-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000290632422 433126805 /nfs/dbraw/zinc/12/68/05/433126805.db2.gz YAPWLIGDEAYQAN-GDBMZVCRSA-N 2 1 308.853 3.265 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nccnc1C ZINC000446928810 433133762 /nfs/dbraw/zinc/13/37/62/433133762.db2.gz NAHOUXCAQCPDNT-IXDOHACOSA-N 2 1 304.482 3.336 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361368622 433134458 /nfs/dbraw/zinc/13/44/58/433134458.db2.gz RIVHCRDRGXVKFK-SGZDXZSOSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361368622 433134466 /nfs/dbraw/zinc/13/44/66/433134466.db2.gz RIVHCRDRGXVKFK-SGZDXZSOSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C(C)(C)C ZINC000453376591 433135171 /nfs/dbraw/zinc/13/51/71/433135171.db2.gz YGXOOKSPXSPSBQ-OHRKKDJYSA-N 2 1 304.482 3.222 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1C(C)(C)C ZINC000453376591 433135179 /nfs/dbraw/zinc/13/51/79/433135179.db2.gz YGXOOKSPXSPSBQ-OHRKKDJYSA-N 2 1 304.482 3.222 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361368617 433137189 /nfs/dbraw/zinc/13/71/89/433137189.db2.gz RIVHCRDRGXVKFK-ACAXCVFMSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361368617 433137195 /nfs/dbraw/zinc/13/71/95/433137195.db2.gz RIVHCRDRGXVKFK-ACAXCVFMSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388651 433142645 /nfs/dbraw/zinc/14/26/45/433142645.db2.gz BVKPZIMKIRJJPP-MJGOQNOKSA-N 2 1 315.505 3.286 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C1CC1 ZINC000453400361 433154633 /nfs/dbraw/zinc/15/46/33/433154633.db2.gz LUPMSPGFBVNOHK-FQEVSTJZSA-N 2 1 324.472 3.224 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000453388648 433144738 /nfs/dbraw/zinc/14/47/38/433144738.db2.gz BVGLDYZMJJYBSY-ZDUSSCGKSA-N 2 1 324.440 3.368 20 0 DGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000420299527 433146808 /nfs/dbraw/zinc/14/68/08/433146808.db2.gz GSWHDFQNXZJOQA-ZDUSSCGKSA-N 2 1 311.267 3.271 20 0 DGADMP CC[N@H+](Cc1cccs1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299061 433147290 /nfs/dbraw/zinc/14/72/90/433147290.db2.gz GEPZABQMAJPIBR-OAHLLOKOSA-N 2 1 304.459 3.321 20 0 DGADMP Brc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420298716 433148587 /nfs/dbraw/zinc/14/85/87/433148587.db2.gz FWISJWOWNWIEBI-CYBMUJFWSA-N 2 1 323.278 3.413 20 0 DGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420297803 433148602 /nfs/dbraw/zinc/14/86/02/433148602.db2.gz GGGDHHNYSBENMT-IAGOWNOFSA-N 2 1 317.477 3.115 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)CC1 ZINC000290572508 433101507 /nfs/dbraw/zinc/10/15/07/433101507.db2.gz TYKLXEOGHYOVGS-IBGZPJMESA-N 2 1 309.457 3.399 20 0 DGADMP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350176000 433106137 /nfs/dbraw/zinc/10/61/37/433106137.db2.gz LGFZHALNKSPBGJ-UHFFFAOYSA-N 2 1 320.868 3.000 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1C ZINC000290585416 433106727 /nfs/dbraw/zinc/10/67/27/433106727.db2.gz UXFPZBPVWKQVEE-GOSISDBHSA-N 2 1 302.462 3.167 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354486773 433111241 /nfs/dbraw/zinc/11/12/41/433111241.db2.gz BKHNUVUGIIJUCV-IRXDYDNUSA-N 2 1 312.461 3.143 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](COC)C2CCCC2)c1 ZINC000446828015 433111236 /nfs/dbraw/zinc/11/12/36/433111236.db2.gz RDVVSYFSOQIMEE-IBGZPJMESA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000446839362 433114107 /nfs/dbraw/zinc/11/41/07/433114107.db2.gz RXLBURSWLBZEAK-UHOSZYNNSA-N 2 1 304.478 3.300 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000446839362 433114118 /nfs/dbraw/zinc/11/41/18/433114118.db2.gz RXLBURSWLBZEAK-UHOSZYNNSA-N 2 1 304.478 3.300 20 0 DGADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000373181517 433118939 /nfs/dbraw/zinc/11/89/39/433118939.db2.gz UIJOGJIEWRPJMW-HMQMGEFJSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361495395 433208427 /nfs/dbraw/zinc/20/84/27/433208427.db2.gz DPBGMISOYXFPGZ-FUHIMQAGSA-N 3 1 315.505 3.142 20 0 DGADMP CCSCC[C@H](C)[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420312422 433159379 /nfs/dbraw/zinc/15/93/79/433159379.db2.gz WYFDJCZNEWOVTL-HOCLYGCPSA-N 2 1 310.507 3.201 20 0 DGADMP c1csc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420315981 433160391 /nfs/dbraw/zinc/16/03/91/433160391.db2.gz MBCROZPZVADNKY-JKSUJKDBSA-N 2 1 308.491 3.119 20 0 DGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)n1C ZINC000425323233 433160561 /nfs/dbraw/zinc/16/05/61/433160561.db2.gz IQYVWHUQPKSNSP-MRXNPFEDSA-N 2 1 318.852 3.477 20 0 DGADMP CC(C)C1CCC(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420328264 433166636 /nfs/dbraw/zinc/16/66/36/433166636.db2.gz ZTGIOWHWLYNKAN-HDYDNRTBSA-N 2 1 321.553 3.209 20 0 DGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420331020 433167043 /nfs/dbraw/zinc/16/70/43/433167043.db2.gz QMUYEEYMBIPJKD-KBPBESRZSA-N 2 1 307.507 3.262 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324235 433167618 /nfs/dbraw/zinc/16/76/18/433167618.db2.gz HECGYOXOOHDXRG-MSOLQXFVSA-N 2 1 302.462 3.004 20 0 DGADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420344687 433169020 /nfs/dbraw/zinc/16/90/20/433169020.db2.gz UGKWXXYNXUQEGK-CALCHBBNSA-N 2 1 323.440 3.305 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338445 433169129 /nfs/dbraw/zinc/16/91/29/433169129.db2.gz XZIRWNNVEHNTPR-QLFBSQMISA-N 2 1 305.466 3.355 20 0 DGADMP c1csc(-c2cnc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)o2)c1 ZINC000420337015 433170289 /nfs/dbraw/zinc/17/02/89/433170289.db2.gz MZFFZIJSCMHQEO-CQSZACIVSA-N 2 1 317.458 3.367 20 0 DGADMP CC(C)[C@H](C[NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000280784998 433171462 /nfs/dbraw/zinc/17/14/62/433171462.db2.gz FZSBNWKLNZYMGL-SFHVURJKSA-N 2 1 304.478 3.127 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336658957 433171671 /nfs/dbraw/zinc/17/16/71/433171671.db2.gz WVCBASQMCFJRRI-UKBAYJJMSA-N 2 1 302.462 3.054 20 0 DGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343884 433171807 /nfs/dbraw/zinc/17/18/07/433171807.db2.gz RYVFDCDJRYIQMX-HDICACEKSA-N 2 1 302.462 3.004 20 0 DGADMP Clc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420336039 433172577 /nfs/dbraw/zinc/17/25/77/433172577.db2.gz IJPKZUQMRRQZSX-HUUCEWRRSA-N 2 1 308.853 3.040 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420337828 433172805 /nfs/dbraw/zinc/17/28/05/433172805.db2.gz XGLAPTSNSCJECC-UONOGXRCSA-N 2 1 308.853 3.170 20 0 DGADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425335233 433174130 /nfs/dbraw/zinc/17/41/30/433174130.db2.gz IEBPPVPASSSDIF-SUMWQHHRSA-N 2 1 316.424 3.208 20 0 DGADMP C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cnc(N(C)C)n2C)C1 ZINC000425335233 433174138 /nfs/dbraw/zinc/17/41/38/433174138.db2.gz IEBPPVPASSSDIF-SUMWQHHRSA-N 2 1 316.424 3.208 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000420354402 433175119 /nfs/dbraw/zinc/17/51/19/433175119.db2.gz DCDIQRSJCHRAFW-QGZVFWFLSA-N 2 1 302.462 3.394 20 0 DGADMP Cc1ccc(OCCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298549985 433175597 /nfs/dbraw/zinc/17/55/97/433175597.db2.gz UPMNVLUFDSOYGD-UHFFFAOYSA-N 2 1 302.462 3.370 20 0 DGADMP Clc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345938 433178097 /nfs/dbraw/zinc/17/80/97/433178097.db2.gz WYHQOCKUZKQCTD-CABCVRRESA-N 2 1 308.853 3.040 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000420356366 433178142 /nfs/dbraw/zinc/17/81/42/433178142.db2.gz GHJMCLLFRDIMRQ-CYBMUJFWSA-N 2 1 305.249 3.335 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000336703117 433181072 /nfs/dbraw/zinc/18/10/72/433181072.db2.gz KFRAJWDHQPWHOK-NHCUHLMSSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000336703117 433181080 /nfs/dbraw/zinc/18/10/80/433181080.db2.gz KFRAJWDHQPWHOK-NHCUHLMSSA-N 2 1 321.468 3.078 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000336703117 433181088 /nfs/dbraw/zinc/18/10/88/433181088.db2.gz KFRAJWDHQPWHOK-NHCUHLMSSA-N 2 1 321.468 3.078 20 0 DGADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420362556 433182727 /nfs/dbraw/zinc/18/27/27/433182727.db2.gz AVBYUOVOFSWBHY-SFHVURJKSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000361457730 433183397 /nfs/dbraw/zinc/18/33/97/433183397.db2.gz VBOUPCHXCVJXKI-PKOFMYQESA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000361457730 433183401 /nfs/dbraw/zinc/18/34/01/433183401.db2.gz VBOUPCHXCVJXKI-PKOFMYQESA-N 2 1 314.473 3.197 20 0 DGADMP Clc1ccccc1O[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420375386 433187065 /nfs/dbraw/zinc/18/70/65/433187065.db2.gz PHIAHUUPHJVNTB-LSDHHAIUSA-N 2 1 308.853 3.183 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447403967 433199461 /nfs/dbraw/zinc/19/94/61/433199461.db2.gz IALGTEVVTGANOO-UHFFFAOYSA-N 2 1 303.454 3.124 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447403967 433199471 /nfs/dbraw/zinc/19/94/71/433199471.db2.gz IALGTEVVTGANOO-UHFFFAOYSA-N 2 1 303.454 3.124 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000420409284 433202667 /nfs/dbraw/zinc/20/26/67/433202667.db2.gz QKHHRSQDXUCQLN-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000420409284 433202673 /nfs/dbraw/zinc/20/26/73/433202673.db2.gz QKHHRSQDXUCQLN-OCCSQVGLSA-N 2 1 319.836 3.412 20 0 DGADMP Cc1cc(Br)c(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000453574087 433214205 /nfs/dbraw/zinc/21/42/05/433214205.db2.gz QMQRLBAXBWYFEI-UHFFFAOYSA-N 2 1 315.280 3.171 20 0 DGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925840 433223901 /nfs/dbraw/zinc/22/39/01/433223901.db2.gz RJZDQLIWJLSPRT-VQIMIIECSA-N 2 1 317.477 3.013 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CCCO1 ZINC000280925840 433223907 /nfs/dbraw/zinc/22/39/07/433223907.db2.gz RJZDQLIWJLSPRT-VQIMIIECSA-N 2 1 317.477 3.013 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337489242 433237048 /nfs/dbraw/zinc/23/70/48/433237048.db2.gz VCZKVFGOWQAOBD-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337489242 433237056 /nfs/dbraw/zinc/23/70/56/433237056.db2.gz VCZKVFGOWQAOBD-ZWKOTPCHSA-N 2 1 308.510 3.436 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374616344 433239883 /nfs/dbraw/zinc/23/98/83/433239883.db2.gz ZDKLTTDSPDLATE-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374616344 433239891 /nfs/dbraw/zinc/23/98/91/433239891.db2.gz ZDKLTTDSPDLATE-UHFFFAOYSA-N 2 1 302.462 3.188 20 0 DGADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412558949 433243315 /nfs/dbraw/zinc/24/33/15/433243315.db2.gz MESCCOSMZUDAQN-MJBXVCDLSA-N 2 1 321.440 3.087 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)CC3CC[NH+](C)CC3)c2C1 ZINC000291467634 433245421 /nfs/dbraw/zinc/24/54/21/433245421.db2.gz IVAHUAUIEPZYHL-UHFFFAOYSA-N 2 1 315.461 3.083 20 0 DGADMP CSCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291474186 433246879 /nfs/dbraw/zinc/24/68/79/433246879.db2.gz PRNBHVTURYGANR-UHFFFAOYSA-N 2 1 304.503 3.338 20 0 DGADMP CO[C@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000425461272 433252055 /nfs/dbraw/zinc/25/20/55/433252055.db2.gz RSNSIDLWKDKFOV-LJQANCHMSA-N 2 1 317.477 3.045 20 0 DGADMP CC[C@@H](CSC)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420931126 433325067 /nfs/dbraw/zinc/32/50/67/433325067.db2.gz FXPWTQBNRDKECB-SFHVURJKSA-N 2 1 322.518 3.092 20 0 DGADMP CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420931126 433325078 /nfs/dbraw/zinc/32/50/78/433325078.db2.gz FXPWTQBNRDKECB-SFHVURJKSA-N 2 1 322.518 3.092 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCC2CCCCC2)C1 ZINC000361602978 433283292 /nfs/dbraw/zinc/28/32/92/433283292.db2.gz OXUPOMWQNSCXKJ-HXUWFJFHSA-N 2 1 316.489 3.313 20 0 DGADMP CO[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000338336496 433291982 /nfs/dbraw/zinc/29/19/82/433291982.db2.gz ALURSVDVWKVYDW-KRWDZBQOSA-N 2 1 310.869 3.445 20 0 DGADMP CO[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000338336496 433291988 /nfs/dbraw/zinc/29/19/88/433291988.db2.gz ALURSVDVWKVYDW-KRWDZBQOSA-N 2 1 310.869 3.445 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000281392305 433298749 /nfs/dbraw/zinc/29/87/49/433298749.db2.gz YAKFWNDSZCVMKD-KURKYZTESA-N 2 1 301.478 3.348 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000281392304 433299824 /nfs/dbraw/zinc/29/98/24/433299824.db2.gz YAKFWNDSZCVMKD-FGTMMUONSA-N 2 1 301.478 3.348 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420904705 433304783 /nfs/dbraw/zinc/30/47/83/433304783.db2.gz CEKGBXLLKAGKOA-IRXDYDNUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420904705 433304789 /nfs/dbraw/zinc/30/47/89/433304789.db2.gz CEKGBXLLKAGKOA-IRXDYDNUSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299051180 433305999 /nfs/dbraw/zinc/30/59/99/433305999.db2.gz SCQYFUPHHZBEFE-YVWKXTFCSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000448024456 433352924 /nfs/dbraw/zinc/35/29/24/433352924.db2.gz YPMZNFVTTSFHPE-IBGZPJMESA-N 2 1 321.553 3.494 20 0 DGADMP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000448024456 433352930 /nfs/dbraw/zinc/35/29/30/433352930.db2.gz YPMZNFVTTSFHPE-IBGZPJMESA-N 2 1 321.553 3.494 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420970249 433360501 /nfs/dbraw/zinc/36/05/01/433360501.db2.gz ZSWKKXFXTYNVDG-FQEVSTJZSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CCC[C@H](C3CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420970249 433360509 /nfs/dbraw/zinc/36/05/09/433360509.db2.gz ZSWKKXFXTYNVDG-FQEVSTJZSA-N 2 1 314.473 3.141 20 0 DGADMP CCC1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000420981028 433364438 /nfs/dbraw/zinc/36/44/38/433364438.db2.gz XTAOFYPLMSIRRA-UHFFFAOYSA-N 2 1 302.462 3.331 20 0 DGADMP COCCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000281633374 433329437 /nfs/dbraw/zinc/32/94/37/433329437.db2.gz DGPYINSTRJCDKK-KXBFYZLASA-N 2 1 320.452 3.367 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000341891172 433341200 /nfs/dbraw/zinc/34/12/00/433341200.db2.gz HNBIAFQBPWFYNM-ROUUACIJSA-N 2 1 317.521 3.348 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339073896 433341411 /nfs/dbraw/zinc/34/14/11/433341411.db2.gz GMYSAFYSOMNURP-ZRNYENFQSA-N 2 1 314.473 3.432 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3CCCC34CC[NH+](C)CC4)sc2C1 ZINC000355033962 433427188 /nfs/dbraw/zinc/42/71/88/433427188.db2.gz DIVVZZHWTCIRAW-CQSZACIVSA-N 2 1 319.518 3.328 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCCC34CC[NH+](C)CC4)sc2C1 ZINC000355033962 433427197 /nfs/dbraw/zinc/42/71/97/433427197.db2.gz DIVVZZHWTCIRAW-CQSZACIVSA-N 2 1 319.518 3.328 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+](C)C ZINC000425943853 433380922 /nfs/dbraw/zinc/38/09/22/433380922.db2.gz KEZCNGGMSXDRTH-FZMZJTMJSA-N 2 1 315.383 3.265 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000414081181 433384343 /nfs/dbraw/zinc/38/43/43/433384343.db2.gz UGUILNKLWPOXTF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000414081181 433384351 /nfs/dbraw/zinc/38/43/51/433384351.db2.gz UGUILNKLWPOXTF-HNNXBMFYSA-N 2 1 300.450 3.111 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000354967236 433384691 /nfs/dbraw/zinc/38/46/91/433384691.db2.gz NUAPFZJQUHBZNG-ZJOBFFGXSA-N 2 1 310.869 3.488 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000354967236 433384700 /nfs/dbraw/zinc/38/47/00/433384700.db2.gz NUAPFZJQUHBZNG-ZJOBFFGXSA-N 2 1 310.869 3.488 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425976200 433391306 /nfs/dbraw/zinc/39/13/06/433391306.db2.gz FHLHIFKJFIFRPO-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425976200 433391315 /nfs/dbraw/zinc/39/13/15/433391315.db2.gz FHLHIFKJFIFRPO-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425976200 433391324 /nfs/dbraw/zinc/39/13/24/433391324.db2.gz FHLHIFKJFIFRPO-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425976200 433391331 /nfs/dbraw/zinc/39/13/31/433391331.db2.gz FHLHIFKJFIFRPO-BGYRXZFFSA-N 2 1 322.452 3.356 20 0 DGADMP CSCc1cnc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000339167007 433409642 /nfs/dbraw/zinc/40/96/42/433409642.db2.gz FYLSKBGGBNEURU-UHFFFAOYSA-N 2 1 321.515 3.358 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361876219 433435107 /nfs/dbraw/zinc/43/51/07/433435107.db2.gz DEKSILTUAFVBLG-NQIIRXRSSA-N 2 1 324.468 3.283 20 0 DGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876219 433435115 /nfs/dbraw/zinc/43/51/15/433435115.db2.gz DEKSILTUAFVBLG-NQIIRXRSSA-N 2 1 324.468 3.283 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000414177086 433440298 /nfs/dbraw/zinc/44/02/98/433440298.db2.gz JNFUSXVERDUCPJ-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP COc1cc(F)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414200268 433456595 /nfs/dbraw/zinc/45/65/95/433456595.db2.gz XRLLXUXKQMOYEV-KGLIPLIRSA-N 2 1 324.440 3.225 20 0 DGADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042209 290030196 /nfs/dbraw/zinc/03/01/96/290030196.db2.gz KNRCSRXHSVMAHQ-KQEPKPNTSA-N 2 1 313.489 3.374 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000426341919 433466317 /nfs/dbraw/zinc/46/63/17/433466317.db2.gz GXMZGXFUELJLTN-CEXWTWQISA-N 2 1 316.489 3.159 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000341307368 290140939 /nfs/dbraw/zinc/14/09/39/290140939.db2.gz SBGVBEABALIBDW-PRHYDEJPSA-N 2 1 316.489 3.036 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414226314 433470416 /nfs/dbraw/zinc/47/04/16/433470416.db2.gz BVXKHFADICQDIC-CJNGLKHVSA-N 2 1 308.416 3.316 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@H]21 ZINC000342101415 433470405 /nfs/dbraw/zinc/47/04/05/433470405.db2.gz KRAGBEMUIXHVPO-ATZDWAIDSA-N 2 1 323.440 3.433 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324206 290227063 /nfs/dbraw/zinc/22/70/63/290227063.db2.gz HACSXCTZAHSVLL-HIFRSBDPSA-N 2 1 308.853 3.088 20 0 DGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000185444835 290276186 /nfs/dbraw/zinc/27/61/86/290276186.db2.gz IIIGHUQDSMFGID-QGZVFWFLSA-N 2 1 321.534 3.159 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000342114800 433476294 /nfs/dbraw/zinc/47/62/94/433476294.db2.gz WUIMCHYFZHYFIC-UHOSZYNNSA-N 2 1 314.473 3.374 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000375472535 433476692 /nfs/dbraw/zinc/47/66/92/433476692.db2.gz KNFRIKHHASHOJI-HNNXBMFYSA-N 2 1 321.490 3.055 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000375472535 433476703 /nfs/dbraw/zinc/47/67/03/433476703.db2.gz KNFRIKHHASHOJI-HNNXBMFYSA-N 2 1 321.490 3.055 20 0 DGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)O1 ZINC000414293184 433516898 /nfs/dbraw/zinc/51/68/98/433516898.db2.gz YTYICAICDZXCBD-SOLBZPMBSA-N 2 1 302.462 3.054 20 0 DGADMP CC(C)=CCC[C@H](C)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375645419 433517187 /nfs/dbraw/zinc/51/71/87/433517187.db2.gz SAZDBCPPGDCOAL-PMACEKPBSA-N 2 1 321.553 3.471 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@@H]12 ZINC000351490584 433525152 /nfs/dbraw/zinc/52/51/52/433525152.db2.gz IJWZCLWJUWDBFH-COLVAYQJSA-N 2 1 315.244 3.041 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414260854 433494292 /nfs/dbraw/zinc/49/42/92/433494292.db2.gz NDWRQJMWYXHGHZ-UNNPPQAFSA-N 2 1 316.489 3.300 20 0 DGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@H]4CCC[C@@H]43)C2)cc1 ZINC000342157224 433505451 /nfs/dbraw/zinc/50/54/51/433505451.db2.gz FTLAUTGIXRMZNA-AABGKKOBSA-N 2 1 314.473 3.152 20 0 DGADMP CCn1ccnc1C[N@@H+](CCCC(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339408561 433563285 /nfs/dbraw/zinc/56/32/85/433563285.db2.gz SXQIPXDRSUJEFA-QGZVFWFLSA-N 2 1 318.509 3.283 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577094 433594511 /nfs/dbraw/zinc/59/45/11/433594511.db2.gz ZDNQGDCYWBUKKG-RBUKOAKNSA-N 2 1 320.452 3.102 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440485 433585236 /nfs/dbraw/zinc/58/52/36/433585236.db2.gz KKTVQVALRGJJPK-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440485 433585241 /nfs/dbraw/zinc/58/52/41/433585241.db2.gz KKTVQVALRGJJPK-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339440485 433585245 /nfs/dbraw/zinc/58/52/45/433585245.db2.gz KKTVQVALRGJJPK-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339440485 433585250 /nfs/dbraw/zinc/58/52/50/433585250.db2.gz KKTVQVALRGJJPK-LJQANCHMSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440482 433586111 /nfs/dbraw/zinc/58/61/11/433586111.db2.gz KKTVQVALRGJJPK-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440482 433586121 /nfs/dbraw/zinc/58/61/21/433586121.db2.gz KKTVQVALRGJJPK-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339440482 433586129 /nfs/dbraw/zinc/58/61/29/433586129.db2.gz KKTVQVALRGJJPK-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339440482 433586138 /nfs/dbraw/zinc/58/61/38/433586138.db2.gz KKTVQVALRGJJPK-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351577094 433594521 /nfs/dbraw/zinc/59/45/21/433594521.db2.gz ZDNQGDCYWBUKKG-RBUKOAKNSA-N 2 1 320.452 3.102 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434990 433586657 /nfs/dbraw/zinc/58/66/57/433586657.db2.gz QMJQRMFTMTWNDQ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434990 433586669 /nfs/dbraw/zinc/58/66/69/433586669.db2.gz QMJQRMFTMTWNDQ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434990 433586678 /nfs/dbraw/zinc/58/66/78/433586678.db2.gz QMJQRMFTMTWNDQ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000339434990 433586683 /nfs/dbraw/zinc/58/66/83/433586683.db2.gz QMJQRMFTMTWNDQ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574362 433587790 /nfs/dbraw/zinc/58/77/90/433587790.db2.gz OIJWTTNDPFEGDW-QZTJIDSGSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574362 433587793 /nfs/dbraw/zinc/58/77/93/433587793.db2.gz OIJWTTNDPFEGDW-QZTJIDSGSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339435424 433588132 /nfs/dbraw/zinc/58/81/32/433588132.db2.gz AZQGQRLFUQIDIP-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339435424 433588139 /nfs/dbraw/zinc/58/81/39/433588139.db2.gz AZQGQRLFUQIDIP-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339435424 433588146 /nfs/dbraw/zinc/58/81/46/433588146.db2.gz AZQGQRLFUQIDIP-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339435424 433588154 /nfs/dbraw/zinc/58/81/54/433588154.db2.gz AZQGQRLFUQIDIP-IBGZPJMESA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574361 433589902 /nfs/dbraw/zinc/58/99/02/433589902.db2.gz OIJWTTNDPFEGDW-MSOLQXFVSA-N 2 1 324.896 3.472 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000351574361 433589910 /nfs/dbraw/zinc/58/99/10/433589910.db2.gz OIJWTTNDPFEGDW-MSOLQXFVSA-N 2 1 324.896 3.472 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)CN(C)C2CC2)c1C ZINC000351519188 433546643 /nfs/dbraw/zinc/54/66/43/433546643.db2.gz NWKDTZYPMRKQLW-QUCCMNQESA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000351519188 433546674 /nfs/dbraw/zinc/54/66/74/433546674.db2.gz NWKDTZYPMRKQLW-QUCCMNQESA-N 2 1 316.489 3.286 20 0 DGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000351519188 433546686 /nfs/dbraw/zinc/54/66/86/433546686.db2.gz NWKDTZYPMRKQLW-QUCCMNQESA-N 2 1 316.489 3.286 20 0 DGADMP COc1ccccc1[C@@H](CNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000301601653 433631236 /nfs/dbraw/zinc/63/12/36/433631236.db2.gz VPXZAUUQZCZZFH-OAHLLOKOSA-N 2 1 305.809 3.458 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342355997 433634884 /nfs/dbraw/zinc/63/48/84/433634884.db2.gz KAZFYMVZODCFSS-SWLSCSKDSA-N 2 1 305.397 3.129 20 0 DGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000362328755 433648995 /nfs/dbraw/zinc/64/89/95/433648995.db2.gz VQZYBCHZFCEQRW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000362328755 433649011 /nfs/dbraw/zinc/64/90/11/433649011.db2.gz VQZYBCHZFCEQRW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000362328755 433649018 /nfs/dbraw/zinc/64/90/18/433649018.db2.gz VQZYBCHZFCEQRW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000293000406 433609272 /nfs/dbraw/zinc/60/92/72/433609272.db2.gz IZRSWIPTAHHQJT-QGZVFWFLSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000293000406 433609282 /nfs/dbraw/zinc/60/92/82/433609282.db2.gz IZRSWIPTAHHQJT-QGZVFWFLSA-N 2 1 319.836 3.388 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000427115726 433655343 /nfs/dbraw/zinc/65/53/43/433655343.db2.gz SSNIGDSAXQAFMU-MJGOQNOKSA-N 2 1 323.440 3.366 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000427115726 433655353 /nfs/dbraw/zinc/65/53/53/433655353.db2.gz SSNIGDSAXQAFMU-MJGOQNOKSA-N 2 1 323.440 3.366 20 0 DGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000356703008 433658091 /nfs/dbraw/zinc/65/80/91/433658091.db2.gz UWJMSWNCDAXRFB-CYBMUJFWSA-N 2 1 313.511 3.021 20 0 DGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000356703008 433658099 /nfs/dbraw/zinc/65/80/99/433658099.db2.gz UWJMSWNCDAXRFB-CYBMUJFWSA-N 2 1 313.511 3.021 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000376105189 433666426 /nfs/dbraw/zinc/66/64/26/433666426.db2.gz WQOTZLWYAFLFDI-LFZDHENXSA-N 2 1 316.489 3.410 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000376105189 433666432 /nfs/dbraw/zinc/66/64/32/433666432.db2.gz WQOTZLWYAFLFDI-LFZDHENXSA-N 2 1 316.489 3.410 20 0 DGADMP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cs1 ZINC000449018721 433674798 /nfs/dbraw/zinc/67/47/98/433674798.db2.gz KVRBJMOFPURNPS-HZPDHXFCSA-N 2 1 321.534 3.047 20 0 DGADMP Cc1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000351731873 433693212 /nfs/dbraw/zinc/69/32/12/433693212.db2.gz YBCMCRGMLFCLNV-HZPDHXFCSA-N 2 1 324.472 3.031 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367243802 293043467 /nfs/dbraw/zinc/04/34/67/293043467.db2.gz MPOMGNVPRPQOCW-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP CO[C@@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232981 433694095 /nfs/dbraw/zinc/69/40/95/433694095.db2.gz UHJJJUYGAHWIIU-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232981 433694105 /nfs/dbraw/zinc/69/41/05/433694105.db2.gz UHJJJUYGAHWIIU-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000283232981 433694115 /nfs/dbraw/zinc/69/41/15/433694115.db2.gz UHJJJUYGAHWIIU-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CO[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000283232981 433694122 /nfs/dbraw/zinc/69/41/22/433694122.db2.gz UHJJJUYGAHWIIU-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCOc3ccccc32)CC1 ZINC000367467138 293076491 /nfs/dbraw/zinc/07/64/91/293076491.db2.gz IVTRGLUHQTZODO-INIZCTEOSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cc(F)cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000449046826 433705235 /nfs/dbraw/zinc/70/52/35/433705235.db2.gz LZAQDLZPXAJGNU-SUMWQHHRSA-N 2 1 303.381 3.114 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414743077 293189466 /nfs/dbraw/zinc/18/94/66/293189466.db2.gz HBFOPXJPKCZWDY-GRDNDAEWSA-N 2 1 310.869 3.347 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000371329770 293210993 /nfs/dbraw/zinc/21/09/93/293210993.db2.gz NLUACBJSAYMMOW-GOSISDBHSA-N 2 1 305.441 3.186 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172800 293362049 /nfs/dbraw/zinc/36/20/49/293362049.db2.gz LZLPEUUMWYAXCJ-UHFFFAOYSA-N 2 1 324.472 3.246 20 0 DGADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000449061745 433722067 /nfs/dbraw/zinc/72/20/67/433722067.db2.gz JTBLRKNMLMEOPG-SFHVURJKSA-N 2 1 302.462 3.187 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ccnn1C1CCCC1 ZINC000449064581 433721509 /nfs/dbraw/zinc/72/15/09/433721509.db2.gz VCQPSDCVIMCLNQ-MRXNPFEDSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449064581 433721513 /nfs/dbraw/zinc/72/15/13/433721513.db2.gz VCQPSDCVIMCLNQ-MRXNPFEDSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449064581 433721522 /nfs/dbraw/zinc/72/15/22/433721522.db2.gz VCQPSDCVIMCLNQ-MRXNPFEDSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449062827 433721633 /nfs/dbraw/zinc/72/16/33/433721633.db2.gz NBQJIDUZIUICTJ-INIZCTEOSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328516 433739789 /nfs/dbraw/zinc/73/97/89/433739789.db2.gz FTUHLGFTXZLNIL-DOTOQJQBSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328516 433739800 /nfs/dbraw/zinc/73/98/00/433739800.db2.gz FTUHLGFTXZLNIL-DOTOQJQBSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328516 433739810 /nfs/dbraw/zinc/73/98/10/433739810.db2.gz FTUHLGFTXZLNIL-DOTOQJQBSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328516 433739816 /nfs/dbraw/zinc/73/98/16/433739816.db2.gz FTUHLGFTXZLNIL-DOTOQJQBSA-N 2 1 318.461 3.010 20 0 DGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000342569515 433741801 /nfs/dbraw/zinc/74/18/01/433741801.db2.gz AAAHDVCZUVSOHB-CYBMUJFWSA-N 2 1 300.368 3.479 20 0 DGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000342569515 433741810 /nfs/dbraw/zinc/74/18/10/433741810.db2.gz AAAHDVCZUVSOHB-CYBMUJFWSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000342569515 433741821 /nfs/dbraw/zinc/74/18/21/433741821.db2.gz AAAHDVCZUVSOHB-CYBMUJFWSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342569515 433741829 /nfs/dbraw/zinc/74/18/29/433741829.db2.gz AAAHDVCZUVSOHB-CYBMUJFWSA-N 2 1 300.368 3.479 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[NH+]1CCCC1 ZINC000421820304 433742346 /nfs/dbraw/zinc/74/23/46/433742346.db2.gz LUVYDPZEXVGVLL-PKOBYXMFSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421825623 433747931 /nfs/dbraw/zinc/74/79/31/433747931.db2.gz ONMUHGBRNCNSCQ-WMZOPIPTSA-N 2 1 315.505 3.429 20 0 DGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421825623 433747939 /nfs/dbraw/zinc/74/79/39/433747939.db2.gz ONMUHGBRNCNSCQ-WMZOPIPTSA-N 2 1 315.505 3.429 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)C1 ZINC000421823229 433748330 /nfs/dbraw/zinc/74/83/30/433748330.db2.gz YXQGSBZVCNRNKJ-KSSFIOAISA-N 2 1 308.441 3.463 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421827502 433754713 /nfs/dbraw/zinc/75/47/13/433754713.db2.gz XYQMULOPNCASTI-WMZOPIPTSA-N 2 1 301.478 3.039 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293486129 433756817 /nfs/dbraw/zinc/75/68/17/433756817.db2.gz RNBICRRBSQJHGG-DNVCBOLYSA-N 2 1 320.452 3.367 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857019 433759795 /nfs/dbraw/zinc/75/97/95/433759795.db2.gz ANDJOCHPDVDLLX-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000351857019 433759801 /nfs/dbraw/zinc/75/98/01/433759801.db2.gz ANDJOCHPDVDLLX-QWRGUYRKSA-N 2 1 303.233 3.041 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449757440 433769691 /nfs/dbraw/zinc/76/96/91/433769691.db2.gz RTIRUDMTROAVBI-WOJBJXKFSA-N 2 1 316.489 3.241 20 0 DGADMP C[N@@H+](CCN1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000429690910 433778125 /nfs/dbraw/zinc/77/81/25/433778125.db2.gz AKLLNPKQSVQDST-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414678628 433787785 /nfs/dbraw/zinc/78/77/85/433787785.db2.gz KXMIUHDQOMGYTH-QWRGUYRKSA-N 2 1 317.296 3.331 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414685571 433790575 /nfs/dbraw/zinc/79/05/75/433790575.db2.gz ZVBXYJQKTIBYMD-DAYGRLMNSA-N 2 1 318.461 3.229 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC[NH2+]1 ZINC000414696600 433794779 /nfs/dbraw/zinc/79/47/79/433794779.db2.gz BAPUAVPJDMYOHE-IKGGRYGDSA-N 2 1 304.503 3.489 20 0 DGADMP Cc1ccnc(C)c1NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000351930070 433797167 /nfs/dbraw/zinc/79/71/67/433797167.db2.gz CWRDPIWPMQIJLB-INIZCTEOSA-N 2 1 318.465 3.330 20 0 DGADMP C[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414705388 433799998 /nfs/dbraw/zinc/79/99/98/433799998.db2.gz LNVSDVCXCJTTBE-GGPKGHCWSA-N 3 1 321.553 3.351 20 0 DGADMP CCN(CC[NH2+]C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414705738 433800136 /nfs/dbraw/zinc/80/01/36/433800136.db2.gz LWFRCDZFMRUQIN-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000414757636 433819466 /nfs/dbraw/zinc/81/94/66/433819466.db2.gz SXSHGWUCSNQFHJ-STQMWFEESA-N 2 1 323.278 3.195 20 0 DGADMP c1ccc(OC2CCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414837772 433874248 /nfs/dbraw/zinc/87/42/48/433874248.db2.gz VUKIVCOZOIFKOB-SJPCQFCGSA-N 2 1 300.446 3.381 20 0 DGADMP CC(C)OCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699273 433876365 /nfs/dbraw/zinc/87/63/65/433876365.db2.gz ZIQGMJRJBJTQMX-MRXNPFEDSA-N 2 1 308.491 3.117 20 0 DGADMP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771835 433826212 /nfs/dbraw/zinc/82/62/12/433826212.db2.gz SASVFRDZMPWHTE-OKILXGFUSA-N 2 1 310.844 3.343 20 0 DGADMP Brc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414773157 433827147 /nfs/dbraw/zinc/82/71/47/433827147.db2.gz DCDHIJJMJQNVJS-CABCVRRESA-N 2 1 323.278 3.271 20 0 DGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc2O1 ZINC000414781948 433829592 /nfs/dbraw/zinc/82/95/92/433829592.db2.gz NUSOYVHSOHFGJK-IAGOWNOFSA-N 2 1 314.473 3.222 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414776758 433830077 /nfs/dbraw/zinc/83/00/77/433830077.db2.gz HPYRPZSPAZSRJN-GJZGRUSLSA-N 2 1 313.420 3.195 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414776760 433830245 /nfs/dbraw/zinc/83/02/45/433830245.db2.gz HPYRPZSPAZSRJN-LSDHHAIUSA-N 2 1 313.420 3.195 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000284087857 433830909 /nfs/dbraw/zinc/83/09/09/433830909.db2.gz BIUOBTTTZUXDCU-YUTCNCBUSA-N 2 1 311.857 3.267 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778969 433831739 /nfs/dbraw/zinc/83/17/39/433831739.db2.gz JUUQNIOCSYQFKN-ZWKOTPCHSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343884156 433835137 /nfs/dbraw/zinc/83/51/37/433835137.db2.gz DGIZBVQRPHMMRX-CMKODMSKSA-N 2 1 315.505 3.014 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784158 433835981 /nfs/dbraw/zinc/83/59/81/433835981.db2.gz QVZDYOGAKHQECP-QZTJIDSGSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1nc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2s1 ZINC000414790416 433838129 /nfs/dbraw/zinc/83/81/29/433838129.db2.gz ZUGFKIPZAOZKKZ-HZPDHXFCSA-N 2 1 315.486 3.426 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC12CCOCC2 ZINC000414790624 433840317 /nfs/dbraw/zinc/84/03/17/433840317.db2.gz PVEBWOYLSHBEDC-GOSISDBHSA-N 2 1 310.441 3.027 20 0 DGADMP CCn1nc(CN(C)CC[C@H]2CCCC[N@H+]2C)c2ccccc21 ZINC000351997582 433844718 /nfs/dbraw/zinc/84/47/18/433844718.db2.gz VBRRTPSWKDSFLU-MRXNPFEDSA-N 2 1 314.477 3.362 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC000414806825 433847972 /nfs/dbraw/zinc/84/79/72/433847972.db2.gz QLGLJKXDEDPPAX-UHFFFAOYSA-N 2 1 308.466 3.337 20 0 DGADMP c1cc(C[N@H+](CCOCC2CC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697205 433877880 /nfs/dbraw/zinc/87/78/80/433877880.db2.gz XIGIOVCOKBSWFG-KRWDZBQOSA-N 2 1 320.502 3.119 20 0 DGADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414808151 433849619 /nfs/dbraw/zinc/84/96/19/433849619.db2.gz KJQJAOOSKNODKM-SJLPKXTDSA-N 2 1 303.494 3.147 20 0 DGADMP CCOCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284169194 433851230 /nfs/dbraw/zinc/85/12/30/433851230.db2.gz QJDPHKNBKUMTKU-UHFFFAOYSA-N 2 1 304.478 3.446 20 0 DGADMP CCCC[C@H](C[NH3+])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414809810 433851588 /nfs/dbraw/zinc/85/15/88/433851588.db2.gz HAPKVFCDZWKCHW-GOSISDBHSA-N 2 1 323.912 3.412 20 0 DGADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414820653 433858871 /nfs/dbraw/zinc/85/88/71/433858871.db2.gz APHDKTPKHLURDT-INIZCTEOSA-N 2 1 310.441 3.451 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000414818738 433859580 /nfs/dbraw/zinc/85/95/80/433859580.db2.gz WLWDHAIJDNLHEQ-JKSUJKDBSA-N 2 1 305.466 3.128 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414819327 433859706 /nfs/dbraw/zinc/85/97/06/433859706.db2.gz YKXOZWCICZSQOM-WFASDCNBSA-N 2 1 313.283 3.487 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000293772671 433863718 /nfs/dbraw/zinc/86/37/18/433863718.db2.gz SGFBRAQSIUEGCV-CQSZACIVSA-N 2 1 316.424 3.146 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000414826764 433863927 /nfs/dbraw/zinc/86/39/27/433863927.db2.gz WNEVLZILPQYVSF-GHMZBOCLSA-N 2 1 317.296 3.297 20 0 DGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414824406 433863941 /nfs/dbraw/zinc/86/39/41/433863941.db2.gz FONJZBAFHFNQLP-SNVBAGLBSA-N 2 1 304.768 3.031 20 0 DGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414880202 433900492 /nfs/dbraw/zinc/90/04/92/433900492.db2.gz JUDCFMXBXILXFB-LSDHHAIUSA-N 2 1 311.267 3.112 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436230642 433911189 /nfs/dbraw/zinc/91/11/89/433911189.db2.gz WUFKZXWIOKAGEA-UHFFFAOYSA-N 2 1 318.490 3.348 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000414934009 433919370 /nfs/dbraw/zinc/91/93/70/433919370.db2.gz XOTZVIIHPNIJJB-NWDGAFQWSA-N 2 1 317.658 3.462 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC(C)C ZINC000422561546 433920108 /nfs/dbraw/zinc/92/01/08/433920108.db2.gz LVSGSGGLDIGIRX-VYDXJSESSA-N 2 1 320.477 3.288 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1SC ZINC000422563864 433923461 /nfs/dbraw/zinc/92/34/61/433923461.db2.gz UQAZOTFIPFTMKD-IPYPFGDCSA-N 2 1 308.491 3.222 20 0 DGADMP CCCCCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000414949141 433929063 /nfs/dbraw/zinc/92/90/63/433929063.db2.gz NCGZBIIQYVGERJ-RDJZCZTQSA-N 2 1 320.477 3.494 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[NH2+]1 ZINC000414945974 433932270 /nfs/dbraw/zinc/93/22/70/433932270.db2.gz JAYIWVJVQQVUPW-BLLLJJGKSA-N 2 1 308.853 3.359 20 0 DGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000414853432 433882934 /nfs/dbraw/zinc/88/29/34/433882934.db2.gz SLHQXKPKJMHWBW-ZDUSSCGKSA-N 2 1 316.392 3.150 20 0 DGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC(C)C ZINC000414856035 433885625 /nfs/dbraw/zinc/88/56/25/433885625.db2.gz XZULKJVNIVBBSX-KRWDZBQOSA-N 2 1 320.477 3.480 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(C(=O)OC)cc2)C1 ZINC000293842807 433891874 /nfs/dbraw/zinc/89/18/74/433891874.db2.gz SYRBFWPCWWQFEP-CRAIPNDOSA-N 2 1 318.461 3.246 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377649640 433942819 /nfs/dbraw/zinc/94/28/19/433942819.db2.gz IDRWIHNJQFULBH-QUCCMNQESA-N 2 1 321.553 3.305 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414976920 433949228 /nfs/dbraw/zinc/94/92/28/433949228.db2.gz QSPGPBBFOUDRQR-CYBMUJFWSA-N 2 1 304.331 3.322 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721103 433951278 /nfs/dbraw/zinc/95/12/78/433951278.db2.gz UNFZNRAPFJAVCP-MOPGFXCFSA-N 3 1 301.478 3.377 20 0 DGADMP N[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000422721103 433951280 /nfs/dbraw/zinc/95/12/80/433951280.db2.gz UNFZNRAPFJAVCP-MOPGFXCFSA-N 2 1 301.478 3.377 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422730638 433956078 /nfs/dbraw/zinc/95/60/78/433956078.db2.gz MKJWUCGJHKLRRM-XYJFISCASA-N 2 1 303.494 3.094 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414985695 433956481 /nfs/dbraw/zinc/95/64/81/433956481.db2.gz WQGNMGVNRMOBLJ-SFHVURJKSA-N 2 1 320.440 3.366 20 0 DGADMP CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000340173106 433958496 /nfs/dbraw/zinc/95/84/96/433958496.db2.gz ODZNKUZXAMGSMZ-XUVXKRRUSA-N 2 1 315.505 3.286 20 0 DGADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000340173102 433960135 /nfs/dbraw/zinc/96/01/35/433960135.db2.gz ODZNKUZXAMGSMZ-AQNXPRMDSA-N 2 1 315.505 3.286 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422736215 433961294 /nfs/dbraw/zinc/96/12/94/433961294.db2.gz FYNMQMXXBXEVMO-AKHDSKFASA-N 3 1 307.526 3.007 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422736215 433961302 /nfs/dbraw/zinc/96/13/02/433961302.db2.gz FYNMQMXXBXEVMO-AKHDSKFASA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422736215 433961307 /nfs/dbraw/zinc/96/13/07/433961307.db2.gz FYNMQMXXBXEVMO-AKHDSKFASA-N 2 1 307.526 3.007 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422739491 433963458 /nfs/dbraw/zinc/96/34/58/433963458.db2.gz LMDWTHZYMQZJNW-HOJAQTOUSA-N 2 1 315.505 3.190 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340186930 433968373 /nfs/dbraw/zinc/96/83/73/433968373.db2.gz YQBNEDGNTWLQPT-VQTJNVASSA-N 2 1 315.505 3.286 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415119020 433972479 /nfs/dbraw/zinc/97/24/79/433972479.db2.gz KJAJVTRYBKAJOZ-LJQANCHMSA-N 2 1 312.461 3.085 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422767597 433981678 /nfs/dbraw/zinc/98/16/78/433981678.db2.gz SZFFSYYJZCNTHR-LALPHHSUSA-N 2 1 311.267 3.110 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422764018 433982092 /nfs/dbraw/zinc/98/20/92/433982092.db2.gz PGLRBQSSSMONQD-QMTHXVAHSA-N 2 1 315.230 3.066 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363168294 433985096 /nfs/dbraw/zinc/98/50/96/433985096.db2.gz WLOPSYCAYCLQQH-CABCVRRESA-N 2 1 310.388 3.047 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756458 433985465 /nfs/dbraw/zinc/98/54/65/433985465.db2.gz AWAWHUXQLPPEIL-GBESFXJTSA-N 2 1 324.472 3.108 20 0 DGADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756458 433985473 /nfs/dbraw/zinc/98/54/73/433985473.db2.gz AWAWHUXQLPPEIL-GBESFXJTSA-N 2 1 324.472 3.108 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772920 433986686 /nfs/dbraw/zinc/98/66/86/433986686.db2.gz ZHRBOYPDIZSOKC-BRSBDYLESA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772920 433986692 /nfs/dbraw/zinc/98/66/92/433986692.db2.gz ZHRBOYPDIZSOKC-BRSBDYLESA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772922 433987189 /nfs/dbraw/zinc/98/71/89/433987189.db2.gz ZHRBOYPDIZSOKC-VSZNYVQBSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772922 433987201 /nfs/dbraw/zinc/98/72/01/433987201.db2.gz ZHRBOYPDIZSOKC-VSZNYVQBSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH2+]CCCSc1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422768615 433990123 /nfs/dbraw/zinc/99/01/23/433990123.db2.gz UFVPSRPSEZXIRW-LBPRGKRZSA-N 2 1 305.422 3.466 20 0 DGADMP CN(Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285412678 433937820 /nfs/dbraw/zinc/93/78/20/433937820.db2.gz FYVYXMHWYYTITA-YIONKMFJSA-N 2 1 317.458 3.460 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414961461 433938613 /nfs/dbraw/zinc/93/86/13/433938613.db2.gz ZCAPQPVPRGCXPU-GDBMZVCRSA-N 2 1 306.450 3.104 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414961464 433939859 /nfs/dbraw/zinc/93/98/59/433939859.db2.gz ZCAPQPVPRGCXPU-GOEBONIOSA-N 2 1 306.450 3.104 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422801632 434015444 /nfs/dbraw/zinc/01/54/44/434015444.db2.gz CFGWFLONYLANFO-SFTDATJTSA-N 3 1 323.484 3.331 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340253363 434017243 /nfs/dbraw/zinc/01/72/43/434017243.db2.gz BKVAPYGSQDTHRY-HAGHYFMRSA-N 2 1 315.505 3.284 20 0 DGADMP CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1c1ccccc1 ZINC000340253363 434017254 /nfs/dbraw/zinc/01/72/54/434017254.db2.gz BKVAPYGSQDTHRY-HAGHYFMRSA-N 2 1 315.505 3.284 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3Cc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422808197 434019322 /nfs/dbraw/zinc/01/93/22/434019322.db2.gz NSNZAFJOMKREPI-QYZOEREBSA-N 2 1 308.425 3.073 20 0 DGADMP c1cnn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422811107 434020404 /nfs/dbraw/zinc/02/04/04/434020404.db2.gz OJICFBTZSDYZKZ-ZRNYENFQSA-N 2 1 324.472 3.450 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)c2ccccc21 ZINC000422825406 434029048 /nfs/dbraw/zinc/02/90/48/434029048.db2.gz AEOYGAXMZXUIMY-UXHICEINSA-N 2 1 318.424 3.166 20 0 DGADMP C1C[NH2+][C@H]([C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000422823832 434031082 /nfs/dbraw/zinc/03/10/82/434031082.db2.gz MJGBBUREBPRDCL-HSALFYBXSA-N 3 1 319.537 3.294 20 0 DGADMP CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CC(C)C ZINC000422831391 434033922 /nfs/dbraw/zinc/03/39/22/434033922.db2.gz SOLWLDWIMMEKJA-CRAIPNDOSA-N 2 1 320.525 3.256 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000377910604 434034328 /nfs/dbraw/zinc/03/43/28/434034328.db2.gz XDEBFTNDYQBFDZ-IBGZPJMESA-N 2 1 324.472 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccncc4)C3)C2)cc1 ZINC000285675281 434035709 /nfs/dbraw/zinc/03/57/09/434035709.db2.gz UMEMMIOYMOZKBG-FQEVSTJZSA-N 2 1 307.441 3.180 20 0 DGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)c2ccccc21 ZINC000422827477 434037705 /nfs/dbraw/zinc/03/77/05/434037705.db2.gz NAAYVHHVYQJLLK-VQTJNVASSA-N 2 1 318.424 3.166 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422836079 434043626 /nfs/dbraw/zinc/04/36/26/434043626.db2.gz ZNYWUVBYNGPMAQ-UFYCRDLUSA-N 2 1 315.505 3.239 20 0 DGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c[nH+]ccc1N ZINC000422842300 434045623 /nfs/dbraw/zinc/04/56/23/434045623.db2.gz XZEHTZMUQNIECC-RYRKJORJSA-N 2 1 324.472 3.198 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000340229852 433995018 /nfs/dbraw/zinc/99/50/18/433995018.db2.gz YRLBINFZFCHFMZ-GOSISDBHSA-N 2 1 307.526 3.107 20 0 DGADMP CC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000357417459 434001119 /nfs/dbraw/zinc/00/11/19/434001119.db2.gz DYWGDTJHQOECJK-ZACQAIPSSA-N 2 1 304.478 3.432 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861185 434061407 /nfs/dbraw/zinc/06/14/07/434061407.db2.gz MMZLVKXYWYMKLZ-HLIPFELVSA-N 2 1 315.505 3.149 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414791253 293891898 /nfs/dbraw/zinc/89/18/98/293891898.db2.gz BDAIJVHOJXLENZ-HUUCEWRRSA-N 2 1 301.459 3.417 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000422861873 434062286 /nfs/dbraw/zinc/06/22/86/434062286.db2.gz NBCCWPHRCKJRCM-USXIJHARSA-N 2 1 309.523 3.238 20 0 DGADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861189 434062763 /nfs/dbraw/zinc/06/27/63/434062763.db2.gz MMZLVKXYWYMKLZ-UWVAXJGDSA-N 2 1 315.505 3.149 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422858447 434063089 /nfs/dbraw/zinc/06/30/89/434063089.db2.gz IRHPKZSIIPTLIA-QFBILLFUSA-N 3 1 303.494 3.134 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3C[NH2+]CC[C@H]3C)cc2)C1 ZINC000422867207 434066857 /nfs/dbraw/zinc/06/68/57/434066857.db2.gz RVIIIIWRRSWPPY-HLIPFELVSA-N 2 1 315.505 3.006 20 0 DGADMP Cc1cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000416242188 434067075 /nfs/dbraw/zinc/06/70/75/434067075.db2.gz RLFBWTNQUFBRAQ-QGZVFWFLSA-N 2 1 322.412 3.274 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000450267652 434068879 /nfs/dbraw/zinc/06/88/79/434068879.db2.gz BNQAELXYADJVNF-XLIONFOSSA-N 2 1 316.489 3.101 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422880178 434074729 /nfs/dbraw/zinc/07/47/29/434074729.db2.gz NLBKMIMLRPXTBY-FRFSOERESA-N 2 1 321.896 3.062 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340358879 434082087 /nfs/dbraw/zinc/08/20/87/434082087.db2.gz CALQINFHUPXAQB-NMLBUPMWSA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340358879 434082095 /nfs/dbraw/zinc/08/20/95/434082095.db2.gz CALQINFHUPXAQB-NMLBUPMWSA-N 2 1 314.473 3.369 20 0 DGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422882577 434082169 /nfs/dbraw/zinc/08/21/69/434082169.db2.gz PEGNJKUNGSQGTP-IRXDYDNUSA-N 2 1 303.450 3.175 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422888215 434086366 /nfs/dbraw/zinc/08/63/66/434086366.db2.gz CDHLILIEZCSUGB-WOUAJJJCSA-N 2 1 315.505 3.134 20 0 DGADMP CN1CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000340362350 434089485 /nfs/dbraw/zinc/08/94/85/434089485.db2.gz WBEJIFOHSHSBNQ-OKZBNKHCSA-N 2 1 316.470 3.207 20 0 DGADMP COc1ccc(OCC[N@@H+](C)CCCc2ccc(C)nc2)cc1 ZINC000353383579 434096245 /nfs/dbraw/zinc/09/62/45/434096245.db2.gz QWNKWDHGKRFBIE-UHFFFAOYSA-N 2 1 314.429 3.342 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422842439 434048527 /nfs/dbraw/zinc/04/85/27/434048527.db2.gz FWIOCYLJJCBGOL-SZMVWBNQSA-N 2 1 321.896 3.194 20 0 DGADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(F)c1 ZINC000422846046 434051350 /nfs/dbraw/zinc/05/13/50/434051350.db2.gz DQADZWDMTHFBDW-OCCSQVGLSA-N 2 1 303.381 3.141 20 0 DGADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(F)c1 ZINC000422846045 434052574 /nfs/dbraw/zinc/05/25/74/434052574.db2.gz DQADZWDMTHFBDW-JSGCOSHPSA-N 2 1 303.381 3.141 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C1C[NH2+]C1 ZINC000422856791 434054396 /nfs/dbraw/zinc/05/43/96/434054396.db2.gz GNEXSMXHKDSRAG-NSHDSACASA-N 2 1 313.426 3.254 20 0 DGADMP CC(C)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378010675 434055503 /nfs/dbraw/zinc/05/55/03/434055503.db2.gz SYORPZHWLNEISS-UHFFFAOYSA-N 2 1 309.542 3.161 20 0 DGADMP CC(C)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378010675 434055513 /nfs/dbraw/zinc/05/55/13/434055513.db2.gz SYORPZHWLNEISS-UHFFFAOYSA-N 3 1 309.542 3.161 20 0 DGADMP CC(C)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378010675 434055519 /nfs/dbraw/zinc/05/55/19/434055519.db2.gz SYORPZHWLNEISS-UHFFFAOYSA-N 3 1 309.542 3.161 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000422863327 434060738 /nfs/dbraw/zinc/06/07/38/434060738.db2.gz OOYUYJLEFWJRRE-BHYGNILZSA-N 2 1 309.523 3.109 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340394192 434102317 /nfs/dbraw/zinc/10/23/17/434102317.db2.gz NJIJIOKKTMURNW-OQIJWPOYSA-N 2 1 302.462 3.084 20 0 DGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340394192 434102325 /nfs/dbraw/zinc/10/23/25/434102325.db2.gz NJIJIOKKTMURNW-OQIJWPOYSA-N 2 1 302.462 3.084 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422907703 434104461 /nfs/dbraw/zinc/10/44/61/434104461.db2.gz CBUMYWCMIXCIFG-RBUKOAKNSA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422907703 434104475 /nfs/dbraw/zinc/10/44/75/434104475.db2.gz CBUMYWCMIXCIFG-RBUKOAKNSA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422907703 434104482 /nfs/dbraw/zinc/10/44/82/434104482.db2.gz CBUMYWCMIXCIFG-RBUKOAKNSA-N 3 1 303.494 3.276 20 0 DGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000459403469 293973642 /nfs/dbraw/zinc/97/36/42/293973642.db2.gz QQSPVNYWKUYKHV-UHFFFAOYSA-N 2 1 302.437 3.464 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC000459476884 293978072 /nfs/dbraw/zinc/97/80/72/293978072.db2.gz HPSRCPBYEKNEEK-PKOBYXMFSA-N 2 1 300.446 3.123 20 0 DGADMP Cc1cccc(C)c1OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459480520 293978230 /nfs/dbraw/zinc/97/82/30/293978230.db2.gz VTNJLSNNXSMNAW-UHFFFAOYSA-N 2 1 302.462 3.289 20 0 DGADMP COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000422919715 434107846 /nfs/dbraw/zinc/10/78/46/434107846.db2.gz KESRJOLDGKROEG-WBAXXEDZSA-N 2 1 308.441 3.414 20 0 DGADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422914570 434108590 /nfs/dbraw/zinc/10/85/90/434108590.db2.gz UTSAQTXUDYVXLM-RBUKOAKNSA-N 2 1 309.457 3.336 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422921178 434112431 /nfs/dbraw/zinc/11/24/31/434112431.db2.gz NORZLARRPRGMRC-MDZRGWNJSA-N 2 1 301.478 3.471 20 0 DGADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1cccc(Cl)c1 ZINC000422921299 434114805 /nfs/dbraw/zinc/11/48/05/434114805.db2.gz PMQIEBNOWLGTQR-ZBEGNZNMSA-N 2 1 305.809 3.186 20 0 DGADMP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000353413040 434117608 /nfs/dbraw/zinc/11/76/08/434117608.db2.gz NZIFPYDKRUXVOX-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP Cc1ccc(CCC[N@H+](C)CCOc2ccccc2F)cn1 ZINC000353386943 434101242 /nfs/dbraw/zinc/10/12/42/434101242.db2.gz WXSZLTTVQBCZOV-UHFFFAOYSA-N 2 1 302.393 3.473 20 0 DGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000497850697 294043443 /nfs/dbraw/zinc/04/34/43/294043443.db2.gz BRIHVWMPESEYPO-OAHLLOKOSA-N 2 1 312.498 3.351 20 0 DGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000497850696 294043596 /nfs/dbraw/zinc/04/35/96/294043596.db2.gz BRIHVWMPESEYPO-HNNXBMFYSA-N 2 1 312.498 3.351 20 0 DGADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297587953 294106607 /nfs/dbraw/zinc/10/66/07/294106607.db2.gz IYCQYTLSBHFVFW-ROUUACIJSA-N 2 1 320.864 3.386 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC000503868847 294203278 /nfs/dbraw/zinc/20/32/78/294203278.db2.gz CANQRVHTBFPAGH-WSLKZVHASA-N 2 1 320.452 3.399 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000509737314 294363462 /nfs/dbraw/zinc/36/34/62/294363462.db2.gz WSEOXMRRADPQSZ-DTQAZKPQSA-N 2 1 314.473 3.453 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000509966223 294369993 /nfs/dbraw/zinc/36/99/93/294369993.db2.gz FNJQSXXHVSHEIC-SQHFCFANSA-N 2 1 314.473 3.453 20 0 DGADMP CCOC(=O)C(C)(C)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000510127780 294374894 /nfs/dbraw/zinc/37/48/94/294374894.db2.gz OWIJILXQMBMEKF-QGZVFWFLSA-N 2 1 324.509 3.162 20 0 DGADMP Fc1cccc(OCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422951412 434132161 /nfs/dbraw/zinc/13/21/61/434132161.db2.gz YLRMBCRFRXIINJ-IEBWSBKVSA-N 2 1 314.404 3.287 20 0 DGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000510697003 294390123 /nfs/dbraw/zinc/39/01/23/294390123.db2.gz BJVSULBZGMPPIG-UONOGXRCSA-N 2 1 308.416 3.360 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000422948220 434135291 /nfs/dbraw/zinc/13/52/91/434135291.db2.gz RNDPUFWSJPKLEP-HDMKZQKVSA-N 2 1 311.429 3.082 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000353443725 434137017 /nfs/dbraw/zinc/13/70/17/434137017.db2.gz STEWHPIVTLIKSK-HRCADAONSA-N 2 1 318.461 3.290 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422958089 434136822 /nfs/dbraw/zinc/13/68/22/434136822.db2.gz ONLSKEXAUOLNIO-LLVKDONJSA-N 2 1 320.234 3.416 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000353443721 434137926 /nfs/dbraw/zinc/13/79/26/434137926.db2.gz STEWHPIVTLIKSK-ARFHVFGLSA-N 2 1 318.461 3.290 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422959376 434138797 /nfs/dbraw/zinc/13/87/97/434138797.db2.gz RUABJLIMHFMVFY-ZIAGYGMSSA-N 2 1 315.230 3.338 20 0 DGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000378323140 434143056 /nfs/dbraw/zinc/14/30/56/434143056.db2.gz ZJHWEDLCAYWYCX-CMKODMSKSA-N 2 1 315.505 3.014 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000363790507 434148245 /nfs/dbraw/zinc/14/82/45/434148245.db2.gz GLCMVCZSWJKYHL-MGPQQGTHSA-N 2 1 305.491 3.299 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000363790507 434148253 /nfs/dbraw/zinc/14/82/53/434148253.db2.gz GLCMVCZSWJKYHL-MGPQQGTHSA-N 2 1 305.491 3.299 20 0 DGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC2CCCCC2)n1 ZINC000422973113 434150096 /nfs/dbraw/zinc/15/00/96/434150096.db2.gz NNKFTCSFMBTQIT-SJPCQFCGSA-N 2 1 315.461 3.166 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000340472251 434153522 /nfs/dbraw/zinc/15/35/22/434153522.db2.gz HNEHWDWYIQIFLM-PXNSSMCTSA-N 2 1 316.489 3.241 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000340472237 434153805 /nfs/dbraw/zinc/15/38/05/434153805.db2.gz HJLYLHGMTAXMEM-MSOLQXFVSA-N 2 1 306.498 3.009 20 0 DGADMP CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422988127 434153981 /nfs/dbraw/zinc/15/39/81/434153981.db2.gz IGEXGBCFIYEIHW-DUBPFDJUSA-N 2 1 308.510 3.196 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000363832610 434160896 /nfs/dbraw/zinc/16/08/96/434160896.db2.gz XBLDPAVWIIODOY-IAGOWNOFSA-N 2 1 316.445 3.048 20 0 DGADMP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000363832610 434160906 /nfs/dbraw/zinc/16/09/06/434160906.db2.gz XBLDPAVWIIODOY-IAGOWNOFSA-N 2 1 316.445 3.048 20 0 DGADMP C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000423004444 434164265 /nfs/dbraw/zinc/16/42/65/434164265.db2.gz OZJAGDNCWVSOCW-LBPRGKRZSA-N 2 1 305.809 3.015 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000423023168 434173804 /nfs/dbraw/zinc/17/38/04/434173804.db2.gz JGEOVYKXIBADEX-RCCFBDPRSA-N 2 1 308.510 3.340 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc2cccnc12 ZINC000346180594 434177920 /nfs/dbraw/zinc/17/79/20/434177920.db2.gz UETAYAKVVOJLJY-RBUKOAKNSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180594 434177928 /nfs/dbraw/zinc/17/79/28/434177928.db2.gz UETAYAKVVOJLJY-RBUKOAKNSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180594 434177938 /nfs/dbraw/zinc/17/79/38/434177938.db2.gz UETAYAKVVOJLJY-RBUKOAKNSA-N 2 1 309.457 3.459 20 0 DGADMP COc1ccc(C2(C[NH2+][C@H](C)c3c[nH+]ccc3N)CCC2)cc1 ZINC000423038737 434181274 /nfs/dbraw/zinc/18/12/74/434181274.db2.gz ZHOQPSLOTXWUFF-CQSZACIVSA-N 2 1 311.429 3.275 20 0 DGADMP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423038907 434182890 /nfs/dbraw/zinc/18/28/90/434182890.db2.gz DMYFITZHWLDCFF-BXXUTWAOSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423038907 434182901 /nfs/dbraw/zinc/18/29/01/434182901.db2.gz DMYFITZHWLDCFF-BXXUTWAOSA-N 2 1 315.505 3.004 20 0 DGADMP CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079408 434187285 /nfs/dbraw/zinc/18/72/85/434187285.db2.gz RAXMYQWNANXFJC-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079408 434187293 /nfs/dbraw/zinc/18/72/93/434187293.db2.gz RAXMYQWNANXFJC-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079408 434187299 /nfs/dbraw/zinc/18/72/99/434187299.db2.gz RAXMYQWNANXFJC-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295079408 434187305 /nfs/dbraw/zinc/18/73/05/434187305.db2.gz RAXMYQWNANXFJC-UHOSZYNNSA-N 2 1 304.478 3.132 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423047088 434188545 /nfs/dbraw/zinc/18/85/45/434188545.db2.gz USFRYRANDWEKEW-ZOWXZIJZSA-N 2 1 300.368 3.367 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000316612180 434189432 /nfs/dbraw/zinc/18/94/32/434189432.db2.gz ZRFLGMIRUWYMIH-NCXUSEDFSA-N 3 1 307.526 3.009 20 0 DGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423047081 434189735 /nfs/dbraw/zinc/18/97/35/434189735.db2.gz USFRYRANDWEKEW-HUBLWGQQSA-N 2 1 300.368 3.367 20 0 DGADMP CC(=O)c1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000450449025 434189805 /nfs/dbraw/zinc/18/98/05/434189805.db2.gz BFBARNQXKXROJR-SFHVURJKSA-N 2 1 300.446 3.053 20 0 DGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])OC(C)C ZINC000423052779 434193808 /nfs/dbraw/zinc/19/38/08/434193808.db2.gz QMCASCNGOFDBQJ-AOIWGVFYSA-N 2 1 320.477 3.411 20 0 DGADMP Fc1ccc(OCCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000317043680 434196375 /nfs/dbraw/zinc/19/63/75/434196375.db2.gz VBQHLPUANXFWLR-UHFFFAOYSA-N 2 1 306.425 3.059 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061402 434199605 /nfs/dbraw/zinc/19/96/05/434199605.db2.gz KQMKDWSXXFXOSA-VAMGGRTRSA-N 2 1 315.505 3.004 20 0 DGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061402 434199617 /nfs/dbraw/zinc/19/96/17/434199617.db2.gz KQMKDWSXXFXOSA-VAMGGRTRSA-N 2 1 315.505 3.004 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000353531802 434202195 /nfs/dbraw/zinc/20/21/95/434202195.db2.gz PIAUXEBPODVNQT-JJRVBVJISA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1OC ZINC000353531802 434202203 /nfs/dbraw/zinc/20/22/03/434202203.db2.gz PIAUXEBPODVNQT-JJRVBVJISA-N 2 1 320.477 3.016 20 0 DGADMP CCC1(CC)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423068963 434203078 /nfs/dbraw/zinc/20/30/78/434203078.db2.gz KYJUVHZSEIQQOZ-RCCFBDPRSA-N 2 1 308.510 3.482 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423126813 434240266 /nfs/dbraw/zinc/24/02/66/434240266.db2.gz JCMJNRXKDJKBLR-NBYUQASBSA-N 2 1 314.473 3.119 20 0 DGADMP CC[C@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000353582495 434246452 /nfs/dbraw/zinc/24/64/52/434246452.db2.gz RQSZZBZRFLRPTP-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353579885 434246809 /nfs/dbraw/zinc/24/68/09/434246809.db2.gz VWLTZQSDYWFXJC-IRXDYDNUSA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353579885 434246821 /nfs/dbraw/zinc/24/68/21/434246821.db2.gz VWLTZQSDYWFXJC-IRXDYDNUSA-N 2 1 321.509 3.006 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccccc21 ZINC000423147805 434248282 /nfs/dbraw/zinc/24/82/82/434248282.db2.gz DLZTZFWNXTWNTR-HUUCEWRRSA-N 2 1 302.466 3.298 20 0 DGADMP CC(C)CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccoc1 ZINC000353585619 434250236 /nfs/dbraw/zinc/25/02/36/434250236.db2.gz UOUPPRVQHXYUDO-GOSISDBHSA-N 2 1 321.509 3.373 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](C)CCO)cc1 ZINC000295201712 434255110 /nfs/dbraw/zinc/25/51/10/434255110.db2.gz YTNMARZBRKAPDV-GJZGRUSLSA-N 2 1 301.434 3.240 20 0 DGADMP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159880 434256302 /nfs/dbraw/zinc/25/63/02/434256302.db2.gz YPVJYCDBGBZXRW-QRTARXTBSA-N 2 1 310.869 3.190 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000423161253 434256669 /nfs/dbraw/zinc/25/66/69/434256669.db2.gz IMLSFMRPJICHNJ-ZYHUDNBSSA-N 2 1 316.474 3.206 20 0 DGADMP C[C@H](CC[NH2+]CCC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379657004 434256730 /nfs/dbraw/zinc/25/67/30/434256730.db2.gz RETSKBCIBNUZEJ-QGZVFWFLSA-N 2 1 304.478 3.303 20 0 DGADMP COC[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423159876 434257253 /nfs/dbraw/zinc/25/72/53/434257253.db2.gz YPVJYCDBGBZXRW-FRFSOERESA-N 2 1 310.869 3.190 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636739 434261133 /nfs/dbraw/zinc/26/11/33/434261133.db2.gz XUQHBMATIUYVFQ-MDNKFWRPSA-N 2 1 315.505 3.147 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379636739 434261139 /nfs/dbraw/zinc/26/11/39/434261139.db2.gz XUQHBMATIUYVFQ-MDNKFWRPSA-N 2 1 315.505 3.147 20 0 DGADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000423172717 434261341 /nfs/dbraw/zinc/26/13/41/434261341.db2.gz UUYSYZWFXQTQSY-QWFCFKBJSA-N 2 1 322.452 3.245 20 0 DGADMP CCCN1CCC([N@@H+](C)CCC(=O)c2ccc(OC)cc2)CC1 ZINC000286433721 434265979 /nfs/dbraw/zinc/26/59/79/434265979.db2.gz NCWNDPYUVXHWAL-UHFFFAOYSA-N 2 1 318.461 3.074 20 0 DGADMP CCC[NH+]1CCC(N(C)CCC(=O)c2ccc(OC)cc2)CC1 ZINC000286433721 434265988 /nfs/dbraw/zinc/26/59/88/434265988.db2.gz NCWNDPYUVXHWAL-UHFFFAOYSA-N 2 1 318.461 3.074 20 0 DGADMP CC[C@](C)(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000319401093 434223348 /nfs/dbraw/zinc/22/33/48/434223348.db2.gz FQIMYROWFYPKGH-BHIYHBOVSA-N 2 1 304.478 3.302 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295160550 434232918 /nfs/dbraw/zinc/23/29/18/434232918.db2.gz SDGHBISANBZLCD-LNLFQRSKSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295160550 434232927 /nfs/dbraw/zinc/23/29/27/434232927.db2.gz SDGHBISANBZLCD-LNLFQRSKSA-N 2 1 304.478 3.038 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319987781 434233069 /nfs/dbraw/zinc/23/30/69/434233069.db2.gz XZBWPCXTXQZGNJ-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423121826 434234433 /nfs/dbraw/zinc/23/44/33/434234433.db2.gz JCMJNRXKDJKBLR-RNQOJCNYSA-N 2 1 314.473 3.119 20 0 DGADMP COC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319987780 434234488 /nfs/dbraw/zinc/23/44/88/434234488.db2.gz XZBWPCXTXQZGNJ-GOSISDBHSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423131653 434237622 /nfs/dbraw/zinc/23/76/22/434237622.db2.gz BHARRCGHCNZCTQ-CUBALJKWSA-N 2 1 323.278 3.283 20 0 DGADMP C[NH2+]CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423199637 434283016 /nfs/dbraw/zinc/28/30/16/434283016.db2.gz KGHVYHWNPCRNJO-AWEZNQCLSA-N 2 1 315.230 3.238 20 0 DGADMP FC1(F)CC(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000383279053 434283372 /nfs/dbraw/zinc/28/33/72/434283372.db2.gz OTQGGCXDVRBUAL-QZTJIDSGSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000383279053 434283382 /nfs/dbraw/zinc/28/33/82/434283382.db2.gz OTQGGCXDVRBUAL-QZTJIDSGSA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)CC(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000383279053 434283389 /nfs/dbraw/zinc/28/33/89/434283389.db2.gz OTQGGCXDVRBUAL-QZTJIDSGSA-N 2 1 320.427 3.486 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000423208381 434285824 /nfs/dbraw/zinc/28/58/24/434285824.db2.gz HTWBJZGZJPESAF-HDYDNRTBSA-N 2 1 315.505 3.019 20 0 DGADMP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358022227 434290811 /nfs/dbraw/zinc/29/08/11/434290811.db2.gz NWGWTCOUADUTDV-IXDOHACOSA-N 2 1 304.478 3.430 20 0 DGADMP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000286880176 434293408 /nfs/dbraw/zinc/29/34/08/434293408.db2.gz CITLTMGKJYZIAS-DQKSBWHRSA-N 2 1 310.485 3.396 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384956445 434296428 /nfs/dbraw/zinc/29/64/28/434296428.db2.gz RVNPGRMAUJCTHB-LFGUQSLTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@H](CO)CC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348392657 434300363 /nfs/dbraw/zinc/30/03/63/434300363.db2.gz PUCGNCJCAGPQND-DBVUQKKJSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423245347 434307972 /nfs/dbraw/zinc/30/79/72/434307972.db2.gz ORJIQESDYJWADA-LSBZLQRGSA-N 2 1 301.478 3.025 20 0 DGADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423245349 434308565 /nfs/dbraw/zinc/30/85/65/434308565.db2.gz ORJIQESDYJWADA-POZUXBRTSA-N 2 1 301.478 3.025 20 0 DGADMP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCCC[NH2+]1 ZINC000386165095 434309117 /nfs/dbraw/zinc/30/91/17/434309117.db2.gz VNKHSBBQEZREHS-CMPLNLGQSA-N 2 1 317.296 3.173 20 0 DGADMP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818114 434311140 /nfs/dbraw/zinc/31/11/40/434311140.db2.gz FRHMRPCIGKWEHB-HSALFYBXSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000386818114 434311149 /nfs/dbraw/zinc/31/11/49/434311149.db2.gz FRHMRPCIGKWEHB-HSALFYBXSA-N 2 1 315.505 3.019 20 0 DGADMP Cc1ccc(CCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000353661872 434312763 /nfs/dbraw/zinc/31/27/63/434312763.db2.gz YIQPEAMRBASJJQ-UHFFFAOYSA-N 2 1 312.461 3.011 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000423259855 434318651 /nfs/dbraw/zinc/31/86/51/434318651.db2.gz FTRFTSARMKJCEJ-WMLDXEAASA-N 2 1 318.461 3.406 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423260980 434319983 /nfs/dbraw/zinc/31/99/83/434319983.db2.gz RBQDRCDZIWROJG-WBVHZDCISA-N 3 1 312.461 3.221 20 0 DGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423264619 434322703 /nfs/dbraw/zinc/32/27/03/434322703.db2.gz AJQWZDAUDVLHFW-YGRLFVJLSA-N 2 1 300.418 3.432 20 0 DGADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103172 434325710 /nfs/dbraw/zinc/32/57/10/434325710.db2.gz VTRCRGPWIPZICI-IPMKNSEASA-N 2 1 307.526 3.151 20 0 DGADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103172 434325720 /nfs/dbraw/zinc/32/57/20/434325720.db2.gz VTRCRGPWIPZICI-IPMKNSEASA-N 3 1 307.526 3.151 20 0 DGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000388103172 434325729 /nfs/dbraw/zinc/32/57/29/434325729.db2.gz VTRCRGPWIPZICI-IPMKNSEASA-N 3 1 307.526 3.151 20 0 DGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c2ccccc21 ZINC000423268653 434329869 /nfs/dbraw/zinc/32/98/69/434329869.db2.gz UYOAGILHCMSGIC-QGTPRVQTSA-N 2 1 318.461 3.131 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423272116 434329898 /nfs/dbraw/zinc/32/98/98/434329898.db2.gz YMRGEOSGQLBXIS-HOTGVXAUSA-N 2 1 306.425 3.319 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423331337 434364027 /nfs/dbraw/zinc/36/40/27/434364027.db2.gz PYJSZANEGPKZLN-NSHDSACASA-N 2 1 302.340 3.160 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390627592 434365423 /nfs/dbraw/zinc/36/54/23/434365423.db2.gz DLJMCWAERRIBER-IEBWSBKVSA-N 3 1 317.521 3.394 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390627592 434365431 /nfs/dbraw/zinc/36/54/31/434365431.db2.gz DLJMCWAERRIBER-IEBWSBKVSA-N 3 1 317.521 3.394 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000390714215 434367260 /nfs/dbraw/zinc/36/72/60/434367260.db2.gz JQTJAKLWFHGHFH-KBAYOESNSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000390714217 434367922 /nfs/dbraw/zinc/36/79/22/434367922.db2.gz JQTJAKLWFHGHFH-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423340136 434371778 /nfs/dbraw/zinc/37/17/78/434371778.db2.gz WZFXUFOAOSYCRN-ZIAGYGMSSA-N 2 1 302.393 3.403 20 0 DGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000358213569 434385103 /nfs/dbraw/zinc/38/51/03/434385103.db2.gz AQUPMSNLXJYSOV-LEAZDLGRSA-N 2 1 314.473 3.371 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746739 434385677 /nfs/dbraw/zinc/38/56/77/434385677.db2.gz MZIRUEULLDMNCP-GDBMZVCRSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746739 434385689 /nfs/dbraw/zinc/38/56/89/434385689.db2.gz MZIRUEULLDMNCP-GDBMZVCRSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746739 434385703 /nfs/dbraw/zinc/38/57/03/434385703.db2.gz MZIRUEULLDMNCP-GDBMZVCRSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746739 434385709 /nfs/dbraw/zinc/38/57/09/434385709.db2.gz MZIRUEULLDMNCP-GDBMZVCRSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746742 434385941 /nfs/dbraw/zinc/38/59/41/434385941.db2.gz MZIRUEULLDMNCP-ZBFHGGJFSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746742 434385949 /nfs/dbraw/zinc/38/59/49/434385949.db2.gz MZIRUEULLDMNCP-ZBFHGGJFSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746742 434385960 /nfs/dbraw/zinc/38/59/60/434385960.db2.gz MZIRUEULLDMNCP-ZBFHGGJFSA-N 2 1 306.450 3.008 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000353746742 434385971 /nfs/dbraw/zinc/38/59/71/434385971.db2.gz MZIRUEULLDMNCP-ZBFHGGJFSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000353745734 434387168 /nfs/dbraw/zinc/38/71/68/434387168.db2.gz JCEMONZHMNKZNB-LPHOPBHVSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000353745734 434387178 /nfs/dbraw/zinc/38/71/78/434387178.db2.gz JCEMONZHMNKZNB-LPHOPBHVSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000353745734 434387184 /nfs/dbraw/zinc/38/71/84/434387184.db2.gz JCEMONZHMNKZNB-LPHOPBHVSA-N 2 1 312.461 3.177 20 0 DGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423376803 434389499 /nfs/dbraw/zinc/38/94/99/434389499.db2.gz YPUKIHYHYMREMV-HUUCEWRRSA-N 2 1 316.367 3.125 20 0 DGADMP COCCCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000287353263 434340265 /nfs/dbraw/zinc/34/02/65/434340265.db2.gz GXBHXQUJDCYZFP-UHFFFAOYSA-N 2 1 320.477 3.064 20 0 DGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423287299 434342565 /nfs/dbraw/zinc/34/25/65/434342565.db2.gz LIOORBCNNKZUBT-GFCCVEGCSA-N 2 1 303.219 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000389850973 434352525 /nfs/dbraw/zinc/35/25/25/434352525.db2.gz VJEIJXAQNVTCIW-IDCXYZFESA-N 2 1 321.468 3.241 20 0 DGADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423305982 434353973 /nfs/dbraw/zinc/35/39/73/434353973.db2.gz CYXOGZDYCIQIEX-ZCNNSNEGSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2cccc(Br)c21 ZINC000423311988 434355264 /nfs/dbraw/zinc/35/52/64/434355264.db2.gz CIXDWDRCEIDPEH-FZQKWOKYSA-N 2 1 309.251 3.324 20 0 DGADMP CCn1cc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000287423280 434356765 /nfs/dbraw/zinc/35/67/65/434356765.db2.gz SLGHQJUQYRUWDL-FCEWJHQRSA-N 2 1 312.461 3.217 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000390314673 434357358 /nfs/dbraw/zinc/35/73/58/434357358.db2.gz ONQZGULLDZFQBM-INIZCTEOSA-N 2 1 320.477 3.476 20 0 DGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423317848 434357671 /nfs/dbraw/zinc/35/76/71/434357671.db2.gz KROSXTIHUNDYFB-YGRLFVJLSA-N 2 1 302.340 3.016 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000423322776 434358817 /nfs/dbraw/zinc/35/88/17/434358817.db2.gz GYMKOUVUHACEFS-FYQPLNBISA-N 2 1 314.473 3.309 20 0 DGADMP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000390561196 434360388 /nfs/dbraw/zinc/36/03/88/434360388.db2.gz MATRJTGQDJJWPW-UIAACRFSSA-N 2 1 309.457 3.241 20 0 DGADMP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000390561194 434360452 /nfs/dbraw/zinc/36/04/52/434360452.db2.gz MATRJTGQDJJWPW-CDHQVMDDSA-N 2 1 309.457 3.241 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cs1 ZINC000423390126 434397645 /nfs/dbraw/zinc/39/76/45/434397645.db2.gz VUADAUVOCKIDQG-WCABBAIRSA-N 2 1 303.269 3.302 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752304 434404223 /nfs/dbraw/zinc/40/42/23/434404223.db2.gz RZROOEOSIRHDQC-WBVHZDCISA-N 2 1 318.461 3.153 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438121492 434420472 /nfs/dbraw/zinc/42/04/72/434420472.db2.gz YLVDCPPUAIDAGP-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423425857 434421648 /nfs/dbraw/zinc/42/16/48/434421648.db2.gz HGXSSKVEONVFOM-ISGRIPCHSA-N 2 1 317.433 3.126 20 0 DGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423441077 434422674 /nfs/dbraw/zinc/42/26/74/434422674.db2.gz UDQBPCNLTLRUGB-DANNLKNASA-N 2 1 313.470 3.295 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)co2)cc1 ZINC000397406314 434434846 /nfs/dbraw/zinc/43/48/46/434434846.db2.gz LVZXIWFQGMHXPP-VYDXJSESSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)co2)cc1 ZINC000397406314 434434853 /nfs/dbraw/zinc/43/48/53/434434853.db2.gz LVZXIWFQGMHXPP-VYDXJSESSA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000397453892 434436126 /nfs/dbraw/zinc/43/61/26/434436126.db2.gz NBOLSRWTEMUIJM-IOASZLSFSA-N 2 1 301.409 3.179 20 0 DGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423462939 434437606 /nfs/dbraw/zinc/43/76/06/434437606.db2.gz AALVFXMLHJEMGV-NEPJUHHUSA-N 2 1 318.358 3.120 20 0 DGADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423463510 434438047 /nfs/dbraw/zinc/43/80/47/434438047.db2.gz LGKSTQKMEBTINM-PRHYDEJPSA-N 2 1 315.505 3.003 20 0 DGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cc(F)cc(F)c1 ZINC000287743852 434440467 /nfs/dbraw/zinc/44/04/67/434440467.db2.gz YXOOMUKKDDCJGK-HOTGVXAUSA-N 2 1 324.415 3.339 20 0 DGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cc(F)cc(F)c1 ZINC000287743845 434441030 /nfs/dbraw/zinc/44/10/30/434441030.db2.gz YXOOMUKKDDCJGK-CVEARBPZSA-N 2 1 324.415 3.339 20 0 DGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423497370 434458777 /nfs/dbraw/zinc/45/87/77/434458777.db2.gz GVMHXFXISDAQJX-KEYYUXOJSA-N 2 1 320.477 3.303 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2nc3cccc(Cl)c3n2C)[C@H](C)C1 ZINC000359996218 434469000 /nfs/dbraw/zinc/46/90/00/434469000.db2.gz VUIZYUVBNMIWQI-TZMCWYRMSA-N 2 1 320.868 3.047 20 0 DGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000423536553 434479488 /nfs/dbraw/zinc/47/94/88/434479488.db2.gz ZPYRIFIWNNQZQS-BBRMVZONSA-N 2 1 304.434 3.016 20 0 DGADMP CO[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360027771 434482857 /nfs/dbraw/zinc/48/28/57/434482857.db2.gz OOJMWRWAORVOIN-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360027771 434482863 /nfs/dbraw/zinc/48/28/63/434482863.db2.gz OOJMWRWAORVOIN-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP CO[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360027771 434482871 /nfs/dbraw/zinc/48/28/71/434482871.db2.gz OOJMWRWAORVOIN-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000400681492 434488950 /nfs/dbraw/zinc/48/89/50/434488950.db2.gz WKYPPYPIIXQMLK-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000400681492 434488960 /nfs/dbraw/zinc/48/89/60/434488960.db2.gz WKYPPYPIIXQMLK-HOJAQTOUSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736806 434490222 /nfs/dbraw/zinc/49/02/22/434490222.db2.gz RWIFHQJSPSCLRX-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)C1 ZINC000295944739 434450037 /nfs/dbraw/zinc/45/00/37/434450037.db2.gz LBALRXGBNLJEPW-APWZRJJASA-N 2 1 324.472 3.350 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)C1 ZINC000295944739 434450045 /nfs/dbraw/zinc/45/00/45/434450045.db2.gz LBALRXGBNLJEPW-APWZRJJASA-N 2 1 324.472 3.350 20 0 DGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423487562 434450691 /nfs/dbraw/zinc/45/06/91/434450691.db2.gz CSCGARGICMZPLM-HKUYNNGSSA-N 2 1 302.462 3.156 20 0 DGADMP Clc1ccc([C@@H](CC2CC2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423485778 434451999 /nfs/dbraw/zinc/45/19/99/434451999.db2.gz BFXUETMSWBUDQK-IAGOWNOFSA-N 2 1 308.853 3.149 20 0 DGADMP c1ccc(CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423495228 434453515 /nfs/dbraw/zinc/45/35/15/434453515.db2.gz UCNLXCONACCDNM-RTWAWAEBSA-N 2 1 324.468 3.329 20 0 DGADMP CC(C)(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423493449 434455164 /nfs/dbraw/zinc/45/51/64/434455164.db2.gz QBTUFNYNCXZOHA-DLBZAZTESA-N 2 1 308.441 3.271 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423496021 434456436 /nfs/dbraw/zinc/45/64/36/434456436.db2.gz VVOSXEAGFHCMEV-MAUKXSAKSA-N 2 1 302.418 3.098 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398177203 434456829 /nfs/dbraw/zinc/45/68/29/434456829.db2.gz JDDAKHGOJQYJHT-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398177203 434456838 /nfs/dbraw/zinc/45/68/38/434456838.db2.gz JDDAKHGOJQYJHT-VBSBHUPXSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2ccccc2o1 ZINC000423496023 434458421 /nfs/dbraw/zinc/45/84/21/434458421.db2.gz VVOSXEAGFHCMEV-YJBOKZPZSA-N 2 1 302.418 3.098 20 0 DGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H]1CC[NH3+] ZINC000404378095 434511070 /nfs/dbraw/zinc/51/10/70/434511070.db2.gz SUGWNEJRQKAREV-BBRMVZONSA-N 2 1 323.868 3.118 20 0 DGADMP CC[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000423702807 434512744 /nfs/dbraw/zinc/51/27/44/434512744.db2.gz YWPSIXKTVJIBHY-IBGZPJMESA-N 2 1 323.440 3.139 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000348836125 434519925 /nfs/dbraw/zinc/51/99/25/434519925.db2.gz BZOCYGQLEXRMMT-SFHVURJKSA-N 2 1 302.462 3.018 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000348836125 434519935 /nfs/dbraw/zinc/51/99/35/434519935.db2.gz BZOCYGQLEXRMMT-SFHVURJKSA-N 2 1 302.462 3.018 20 0 DGADMP C[C@H]1CCc2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2C1 ZINC000348867751 434534220 /nfs/dbraw/zinc/53/42/20/434534220.db2.gz IRFFBMVXENQJJY-RDGKXADDSA-N 2 1 319.518 3.325 20 0 DGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2cc(Br)ccc2C)C1 ZINC000438905620 434540992 /nfs/dbraw/zinc/54/09/92/434540992.db2.gz RCLFMGPVEPFZJS-SWLSCSKDSA-N 2 1 311.267 3.187 20 0 DGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2cc(Br)ccc2C)C1 ZINC000438905620 434540999 /nfs/dbraw/zinc/54/09/99/434540999.db2.gz RCLFMGPVEPFZJS-SWLSCSKDSA-N 2 1 311.267 3.187 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000353973066 434552766 /nfs/dbraw/zinc/55/27/66/434552766.db2.gz PJVYVZYLLBSREX-RTBURBONSA-N 2 1 302.462 3.023 20 0 DGADMP c1nc2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000525997716 295049145 /nfs/dbraw/zinc/04/91/45/295049145.db2.gz WEMVGWXABUGZCV-SFHVURJKSA-N 2 1 320.440 3.175 20 0 DGADMP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000525997716 295049148 /nfs/dbraw/zinc/04/91/48/295049148.db2.gz WEMVGWXABUGZCV-SFHVURJKSA-N 2 1 320.440 3.175 20 0 DGADMP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000525997716 295049150 /nfs/dbraw/zinc/04/91/50/295049150.db2.gz WEMVGWXABUGZCV-SFHVURJKSA-N 2 1 320.440 3.175 20 0 DGADMP CC(C)CCC[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000527116592 295079235 /nfs/dbraw/zinc/07/92/35/295079235.db2.gz IEFUKWYSIYBCEK-INIZCTEOSA-N 2 1 309.523 3.062 20 0 DGADMP Cc1ccc(CCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000527218925 295084366 /nfs/dbraw/zinc/08/43/66/295084366.db2.gz VHFNYPYLQOXJHD-UHFFFAOYSA-N 2 1 303.494 3.375 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)nc1 ZINC000348970178 434570055 /nfs/dbraw/zinc/57/00/55/434570055.db2.gz VZWYQRLEEZLBNN-UHFFFAOYSA-N 2 1 313.445 3.174 20 0 DGADMP COc1cc(CNC[C@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000527656774 295110962 /nfs/dbraw/zinc/11/09/62/295110962.db2.gz KKYZKKYCQREQLA-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000527656774 295110964 /nfs/dbraw/zinc/11/09/64/295110964.db2.gz KKYZKKYCQREQLA-GFCCVEGCSA-N 2 1 316.367 3.145 20 0 DGADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000527803112 295133015 /nfs/dbraw/zinc/13/30/15/295133015.db2.gz VCTSTOGWMZWHBJ-UXHICEINSA-N 2 1 316.489 3.239 20 0 DGADMP Cn1c[nH+]cc1CCN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000459374089 434573777 /nfs/dbraw/zinc/57/37/77/434573777.db2.gz SWEVPFJBAHJOKQ-UHFFFAOYSA-N 2 1 314.820 3.156 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000527990507 295161383 /nfs/dbraw/zinc/16/13/83/295161383.db2.gz NSGCZGLNJVVTRM-KRWDZBQOSA-N 2 1 308.853 3.028 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527994448 295161823 /nfs/dbraw/zinc/16/18/23/295161823.db2.gz HYJZNZQVAIHQDJ-DOMZBBRYSA-N 2 1 303.425 3.230 20 0 DGADMP CCn1cncc1C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000418063267 434578021 /nfs/dbraw/zinc/57/80/21/434578021.db2.gz GPSCQGOBRIJNCZ-UHFFFAOYSA-N 2 1 320.525 3.483 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccc(F)cc2)OC)[C@H](C)C1 ZINC000528417584 295211169 /nfs/dbraw/zinc/21/11/69/295211169.db2.gz STZJNSQXSFFRPZ-LZQZEXGQSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)[C@H](C)C1 ZINC000528417584 295211170 /nfs/dbraw/zinc/21/11/70/295211170.db2.gz STZJNSQXSFFRPZ-LZQZEXGQSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)[C@H](C)C1 ZINC000528417584 295211172 /nfs/dbraw/zinc/21/11/72/295211172.db2.gz STZJNSQXSFFRPZ-LZQZEXGQSA-N 2 1 322.468 3.045 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000423321243 295225561 /nfs/dbraw/zinc/22/55/61/295225561.db2.gz FDLCXQFJSAHCKA-IPMKNSEASA-N 2 1 314.473 3.453 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528574871 295227697 /nfs/dbraw/zinc/22/76/97/295227697.db2.gz SHILTUQKAZUZFN-MRXNPFEDSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]2C ZINC000414756530 295262461 /nfs/dbraw/zinc/26/24/61/295262461.db2.gz JYKICIIOVMJTCS-FXUDXRNXSA-N 2 1 302.462 3.391 20 0 DGADMP Cc1c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cnn1C ZINC000354025223 434585022 /nfs/dbraw/zinc/58/50/22/434585022.db2.gz AITVRJFGYSMNOF-MRXNPFEDSA-N 2 1 318.509 3.205 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420378922 295391603 /nfs/dbraw/zinc/39/16/03/295391603.db2.gz UTKOHTFIAAXZMW-JZXOWHBKSA-N 2 1 302.462 3.468 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000354095905 434616913 /nfs/dbraw/zinc/61/69/13/434616913.db2.gz FWIWOBNRDCDLOD-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000354105455 434620475 /nfs/dbraw/zinc/62/04/75/434620475.db2.gz BBKLALGARYYUDD-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP CC(C)C[C@H](C)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000410339112 434640963 /nfs/dbraw/zinc/64/09/63/434640963.db2.gz RFKPCIIBNZLAON-GBESFXJTSA-N 2 1 309.542 3.159 20 0 DGADMP CCOc1cccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c1 ZINC000354078148 434605759 /nfs/dbraw/zinc/60/57/59/434605759.db2.gz NZHDHCQPOHCLFA-IBGZPJMESA-N 2 1 320.477 3.018 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCOc3ccccc32)CC1 ZINC000371392750 434691389 /nfs/dbraw/zinc/69/13/89/434691389.db2.gz RXSCWSOBAGXGFG-INIZCTEOSA-N 2 1 302.462 3.357 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000424179697 434646993 /nfs/dbraw/zinc/64/69/93/434646993.db2.gz TXVRDLYIFAKHSR-HZPDHXFCSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)n1cncc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000424179697 434646999 /nfs/dbraw/zinc/64/69/99/434646999.db2.gz TXVRDLYIFAKHSR-HZPDHXFCSA-N 2 1 304.482 3.207 20 0 DGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000371332603 434669092 /nfs/dbraw/zinc/66/90/92/434669092.db2.gz ACAUMXWSMXESCP-IBGZPJMESA-N 2 1 307.526 3.057 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000371340355 434672173 /nfs/dbraw/zinc/67/21/73/434672173.db2.gz DKGQRQDTKXEUES-WCIQWLHISA-N 2 1 321.553 3.161 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)s2)C1 ZINC000459721034 434675102 /nfs/dbraw/zinc/67/51/02/434675102.db2.gz AFRXNHFIHRNQSM-LLVKDONJSA-N 2 1 317.296 3.332 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)s2)C1 ZINC000459721035 434676003 /nfs/dbraw/zinc/67/60/03/434676003.db2.gz AFRXNHFIHRNQSM-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223932 434677341 /nfs/dbraw/zinc/67/73/41/434677341.db2.gz MAUWRAICXQVXMB-AEFFLSMTSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3ccccc3s1)CC[NH2+]CC2 ZINC000424283739 434678719 /nfs/dbraw/zinc/67/87/19/434678719.db2.gz BUVNFUWFWQNMCS-CYBMUJFWSA-N 2 1 301.459 3.260 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000349350337 434682363 /nfs/dbraw/zinc/68/23/63/434682363.db2.gz PIWLIHBQYHVNIC-UHFFFAOYSA-N 2 1 318.421 3.462 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000349350337 434682369 /nfs/dbraw/zinc/68/23/69/434682369.db2.gz PIWLIHBQYHVNIC-UHFFFAOYSA-N 2 1 318.421 3.462 20 0 DGADMP [NH3+]C[C@H](C[NH2+]C1(c2nccs2)CCCC1)c1ccc(F)cc1 ZINC000424299360 434683245 /nfs/dbraw/zinc/68/32/45/434683245.db2.gz JBMRSDRIBMUOGC-CQSZACIVSA-N 2 1 319.449 3.384 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298951 434683275 /nfs/dbraw/zinc/68/32/75/434683275.db2.gz UWFOVTJCEWUONN-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000349381739 434700040 /nfs/dbraw/zinc/70/00/40/434700040.db2.gz QZGOQSCKUHBUBW-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOCC3CCC3)C2)CC1 ZINC000419182636 434745251 /nfs/dbraw/zinc/74/52/51/434745251.db2.gz CQKBCVKUUJQONK-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOCC3CCC3)C2)CC1 ZINC000419182636 434745259 /nfs/dbraw/zinc/74/52/59/434745259.db2.gz CQKBCVKUUJQONK-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000360970340 434750609 /nfs/dbraw/zinc/75/06/09/434750609.db2.gz PPMSUMDZSJVGQX-KRWDZBQOSA-N 2 1 310.507 3.113 20 0 DGADMP CO[C@@H](CC(C)C)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000419222343 434753974 /nfs/dbraw/zinc/75/39/74/434753974.db2.gz BRBWGFNCTTYCBS-IBGZPJMESA-N 2 1 319.493 3.291 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000459770993 434708661 /nfs/dbraw/zinc/70/86/61/434708661.db2.gz IAMAWTILBJSVNJ-INIZCTEOSA-N 2 1 318.461 3.060 20 0 DGADMP CCN(C)[C@H](c1nc(C2(N)CCCCC2)no1)c1ccccc1 ZINC000424351178 434708945 /nfs/dbraw/zinc/70/89/45/434708945.db2.gz YHPHWOMBOPXBAI-HNNXBMFYSA-N 2 1 314.433 3.229 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544788 434712465 /nfs/dbraw/zinc/71/24/65/434712465.db2.gz BRYCYWBLYASWOU-DFEOGRTESA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544788 434712473 /nfs/dbraw/zinc/71/24/73/434712473.db2.gz BRYCYWBLYASWOU-DFEOGRTESA-N 2 1 306.494 3.140 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544788 434712479 /nfs/dbraw/zinc/71/24/79/434712479.db2.gz BRYCYWBLYASWOU-DFEOGRTESA-N 2 1 306.494 3.140 20 0 DGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OCC ZINC000424372100 434712970 /nfs/dbraw/zinc/71/29/70/434712970.db2.gz GZCCHHAZJZPSSI-NUEKZKHPSA-N 2 1 306.450 3.405 20 0 DGADMP CCn1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c2ccccc21 ZINC000424382416 434715988 /nfs/dbraw/zinc/71/59/88/434715988.db2.gz SEKTYDPMIPQMPL-OAHLLOKOSA-N 2 1 312.461 3.020 20 0 DGADMP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411131333 434729627 /nfs/dbraw/zinc/72/96/27/434729627.db2.gz WMIXVQOYJMRMGL-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411131333 434729634 /nfs/dbraw/zinc/72/96/34/434729634.db2.gz WMIXVQOYJMRMGL-UHFFFAOYSA-N 2 1 302.462 3.283 20 0 DGADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000411140017 434730358 /nfs/dbraw/zinc/73/03/58/434730358.db2.gz UCQJZFVWOMKXJY-UHFFFAOYSA-N 2 1 312.461 3.038 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933283 434737331 /nfs/dbraw/zinc/73/73/31/434737331.db2.gz LXVXAYWPYMBYCN-KVPLUYHFSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933283 434737336 /nfs/dbraw/zinc/73/73/36/434737336.db2.gz LXVXAYWPYMBYCN-KVPLUYHFSA-N 2 1 316.489 3.444 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275734 434755390 /nfs/dbraw/zinc/75/53/90/434755390.db2.gz YPHZFYLRBIZUER-HXUWFJFHSA-N 3 1 315.505 3.056 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275734 434755395 /nfs/dbraw/zinc/75/53/95/434755395.db2.gz YPHZFYLRBIZUER-HXUWFJFHSA-N 3 1 315.505 3.056 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)cc1 ZINC000361024891 434770896 /nfs/dbraw/zinc/77/08/96/434770896.db2.gz FVNSVIGBSMOLDF-MANSERQUSA-N 2 1 300.446 3.123 20 0 DGADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000442874651 434772598 /nfs/dbraw/zinc/77/25/98/434772598.db2.gz UNUYADSZJBFQIL-INIZCTEOSA-N 2 1 309.523 3.205 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055271 434775167 /nfs/dbraw/zinc/77/51/67/434775167.db2.gz BBYIHHAIKYQFTK-CYBMUJFWSA-N 2 1 305.447 3.272 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000361034485 434775480 /nfs/dbraw/zinc/77/54/80/434775480.db2.gz XJOALFYBLYNAOM-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000361034485 434775482 /nfs/dbraw/zinc/77/54/82/434775482.db2.gz XJOALFYBLYNAOM-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453054887 434784290 /nfs/dbraw/zinc/78/42/90/434784290.db2.gz CSMPEKXPFQWJQZ-INIZCTEOSA-N 2 1 312.461 3.038 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCO3)[C@H]3CCC[C@H]32)cc1 ZINC000453057830 434786149 /nfs/dbraw/zinc/78/61/49/434786149.db2.gz NQBQKPDMILGTDQ-ZGXWSNOMSA-N 2 1 314.473 3.198 20 0 DGADMP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453059064 434786401 /nfs/dbraw/zinc/78/64/01/434786401.db2.gz PUYOFBRJCDEABG-OTWHNJEPSA-N 2 1 302.462 3.056 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453063823 434788013 /nfs/dbraw/zinc/78/80/13/434788013.db2.gz VVQJWLHXJZPPHF-AQNXPRMDSA-N 2 1 316.489 3.446 20 0 DGADMP OCC[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411571039 434804245 /nfs/dbraw/zinc/80/42/45/434804245.db2.gz OVZDSKRBJXRJKX-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000361137348 434807363 /nfs/dbraw/zinc/80/73/63/434807363.db2.gz XHEOIPPPSFUZGS-UHFFFAOYSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453125657 434808784 /nfs/dbraw/zinc/80/87/84/434808784.db2.gz JPQRVZHYSSBATP-VBSBHUPXSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453128699 434809693 /nfs/dbraw/zinc/80/96/93/434809693.db2.gz QGOIUCIZCCATOQ-MRXNPFEDSA-N 2 1 300.450 3.368 20 0 DGADMP C[C@@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411656514 434813300 /nfs/dbraw/zinc/81/33/00/434813300.db2.gz BQHXXEWWZGYQCF-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000453163165 434820522 /nfs/dbraw/zinc/82/05/22/434820522.db2.gz CRRMPMWKFKOAAN-BHIYHBOVSA-N 2 1 324.472 3.218 20 0 DGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000411718154 434821334 /nfs/dbraw/zinc/82/13/34/434821334.db2.gz KLLVSVATRSHJDF-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000453194260 434825882 /nfs/dbraw/zinc/82/58/82/434825882.db2.gz HHTFIFCESXDEAX-PMACEKPBSA-N 2 1 316.489 3.312 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000361190796 434826863 /nfs/dbraw/zinc/82/68/63/434826863.db2.gz QBKYXPIFAKCPEH-UGFHNGPFSA-N 2 1 310.388 3.108 20 0 DGADMP CC[N@H+]1CC[C@H](N[C@@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000361190793 434827575 /nfs/dbraw/zinc/82/75/75/434827575.db2.gz QBKYXPIFAKCPEH-TUKIKUTGSA-N 2 1 310.388 3.108 20 0 DGADMP O[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411775201 434828069 /nfs/dbraw/zinc/82/80/69/434828069.db2.gz XGLYRXIZTLSUTN-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+](C1CC1)C1COC1 ZINC000411775411 434829309 /nfs/dbraw/zinc/82/93/09/434829309.db2.gz XQWFHHRSKZRSRN-UHFFFAOYSA-N 2 1 300.446 3.036 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+](C1CC1)C1COC1 ZINC000411775411 434829312 /nfs/dbraw/zinc/82/93/12/434829312.db2.gz XQWFHHRSKZRSRN-UHFFFAOYSA-N 2 1 300.446 3.036 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060704 434863373 /nfs/dbraw/zinc/86/33/73/434863373.db2.gz GQPDEBQIPZZARJ-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060704 434863375 /nfs/dbraw/zinc/86/33/75/434863375.db2.gz GQPDEBQIPZZARJ-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060704 434863376 /nfs/dbraw/zinc/86/33/76/434863376.db2.gz GQPDEBQIPZZARJ-SJORKVTESA-N 2 1 324.509 3.305 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453272371 434845858 /nfs/dbraw/zinc/84/58/58/434845858.db2.gz URWJZCZZNMYZBV-WQGACYEGSA-N 2 1 314.832 3.176 20 0 DGADMP CC(=O)c1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000573293725 434887662 /nfs/dbraw/zinc/88/76/62/434887662.db2.gz GMRUZDDLNJOPHA-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000521942657 434901835 /nfs/dbraw/zinc/90/18/35/434901835.db2.gz WALVXMFACDXMDK-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000521942657 434901837 /nfs/dbraw/zinc/90/18/37/434901837.db2.gz WALVXMFACDXMDK-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000521942657 434901840 /nfs/dbraw/zinc/90/18/40/434901840.db2.gz WALVXMFACDXMDK-HKUYNNGSSA-N 2 1 302.462 3.390 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000554803331 434946255 /nfs/dbraw/zinc/94/62/55/434946255.db2.gz DWKSSYKMPAXNDN-SFHVURJKSA-N 2 1 304.478 3.434 20 0 DGADMP Cc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)on1 ZINC000574120183 434951502 /nfs/dbraw/zinc/95/15/02/434951502.db2.gz KGHKGXKGKOGXCS-HNNXBMFYSA-N 2 1 319.474 3.307 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)C[C@H]1C ZINC000638109753 434955171 /nfs/dbraw/zinc/95/51/71/434955171.db2.gz GMEXJMYQOABUON-GGPKGHCWSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)C[C@H]1C ZINC000638109753 434955176 /nfs/dbraw/zinc/95/51/76/434955176.db2.gz GMEXJMYQOABUON-GGPKGHCWSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)C[C@H]1C ZINC000638109753 434955181 /nfs/dbraw/zinc/95/51/81/434955181.db2.gz GMEXJMYQOABUON-GGPKGHCWSA-N 2 1 315.505 3.318 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C ZINC000638109754 434955762 /nfs/dbraw/zinc/95/57/62/434955762.db2.gz GMEXJMYQOABUON-HBFSDRIKSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C ZINC000638109754 434955766 /nfs/dbraw/zinc/95/57/66/434955766.db2.gz GMEXJMYQOABUON-HBFSDRIKSA-N 2 1 315.505 3.318 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C ZINC000638109754 434955770 /nfs/dbraw/zinc/95/57/70/434955770.db2.gz GMEXJMYQOABUON-HBFSDRIKSA-N 2 1 315.505 3.318 20 0 DGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000554992465 434956880 /nfs/dbraw/zinc/95/68/80/434956880.db2.gz FRIMFMZVNDCJFO-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000554992465 434956885 /nfs/dbraw/zinc/95/68/85/434956885.db2.gz FRIMFMZVNDCJFO-WBVHZDCISA-N 2 1 304.478 3.263 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000555092604 434960781 /nfs/dbraw/zinc/96/07/81/434960781.db2.gz KJVCKYNIIDTKLJ-QGZVFWFLSA-N 2 1 300.490 3.359 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3ncccc23)C1 ZINC000638135282 434963211 /nfs/dbraw/zinc/96/32/11/434963211.db2.gz SGTCGVFLFCYBDB-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638135282 434963214 /nfs/dbraw/zinc/96/32/14/434963214.db2.gz SGTCGVFLFCYBDB-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638135282 434963218 /nfs/dbraw/zinc/96/32/18/434963218.db2.gz SGTCGVFLFCYBDB-QGZVFWFLSA-N 2 1 309.457 3.399 20 0 DGADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000524156192 434970663 /nfs/dbraw/zinc/97/06/63/434970663.db2.gz SNMVZBBEBFVBPY-UHFFFAOYSA-N 2 1 318.461 3.025 20 0 DGADMP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000573812754 434928730 /nfs/dbraw/zinc/92/87/30/434928730.db2.gz DJDIURZHXNJINS-UHFFFAOYSA-N 2 1 312.457 3.165 20 0 DGADMP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000638379027 435017290 /nfs/dbraw/zinc/01/72/90/435017290.db2.gz VSQIGJSMXPESFI-FQEVSTJZSA-N 2 1 316.489 3.364 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000638434054 435030553 /nfs/dbraw/zinc/03/05/53/435030553.db2.gz HISHAANJWGGUMD-UHFFFAOYSA-N 2 1 312.457 3.309 20 0 DGADMP c1cn(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638284639 434995928 /nfs/dbraw/zinc/99/59/28/434995928.db2.gz BTWCIFUGMVZVKT-UYAOXDASSA-N 2 1 324.472 3.231 20 0 DGADMP c1cn(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638284639 434995931 /nfs/dbraw/zinc/99/59/31/434995931.db2.gz BTWCIFUGMVZVKT-UYAOXDASSA-N 2 1 324.472 3.231 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638293335 434997823 /nfs/dbraw/zinc/99/78/23/434997823.db2.gz JQEMDQOGDVKDQD-UHOSZYNNSA-N 2 1 300.446 3.123 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638293335 434997829 /nfs/dbraw/zinc/99/78/29/434997829.db2.gz JQEMDQOGDVKDQD-UHOSZYNNSA-N 2 1 300.446 3.123 20 0 DGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000556864209 435033013 /nfs/dbraw/zinc/03/30/13/435033013.db2.gz FJKRVWZLAFERPW-MOPGFXCFSA-N 2 1 302.462 3.043 20 0 DGADMP CCCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000574726013 435000618 /nfs/dbraw/zinc/00/06/18/435000618.db2.gz RUKHZMOEOYUHSO-WOJBJXKFSA-N 2 1 318.505 3.381 20 0 DGADMP CCCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000574726013 435000621 /nfs/dbraw/zinc/00/06/21/435000621.db2.gz RUKHZMOEOYUHSO-WOJBJXKFSA-N 2 1 318.505 3.381 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(F)cc2)C[C@H]1C ZINC000530902407 435060046 /nfs/dbraw/zinc/06/00/46/435060046.db2.gz VDODIGHJTBONQU-NVXWUHKLSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccc(F)cc2)C[C@H]1C ZINC000530902407 435060049 /nfs/dbraw/zinc/06/00/49/435060049.db2.gz VDODIGHJTBONQU-NVXWUHKLSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccc(F)cc2)C[C@H]1C ZINC000530902407 435060052 /nfs/dbraw/zinc/06/00/52/435060052.db2.gz VDODIGHJTBONQU-NVXWUHKLSA-N 2 1 308.441 3.399 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000530953214 435062550 /nfs/dbraw/zinc/06/25/50/435062550.db2.gz PFDQYEQJBVMIGN-UHFFFAOYSA-N 2 1 314.477 3.411 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638680044 435069979 /nfs/dbraw/zinc/06/99/79/435069979.db2.gz VDSRJQXWWPOVKP-JSFADZTLSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638680044 435069984 /nfs/dbraw/zinc/06/99/84/435069984.db2.gz VDSRJQXWWPOVKP-JSFADZTLSA-N 2 1 316.489 3.351 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H]1CCOC1 ZINC000638692644 435071639 /nfs/dbraw/zinc/07/16/39/435071639.db2.gz KMLKYDHEACSJAW-WOGUSJMUSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H]1CCOC1 ZINC000638692644 435071642 /nfs/dbraw/zinc/07/16/42/435071642.db2.gz KMLKYDHEACSJAW-WOGUSJMUSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638716444 435074255 /nfs/dbraw/zinc/07/42/55/435074255.db2.gz AWYXSKVBCYNCPL-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000638716444 435074258 /nfs/dbraw/zinc/07/42/58/435074258.db2.gz AWYXSKVBCYNCPL-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1oc2ccccc2c1C)C(C)C ZINC000578334440 435077429 /nfs/dbraw/zinc/07/74/29/435077429.db2.gz OGIJFVOVSPYMJE-QAPCUYQASA-N 2 1 318.461 3.341 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccns1 ZINC000638735292 435081325 /nfs/dbraw/zinc/08/13/25/435081325.db2.gz CUZVRMOVUGXRTE-HUUCEWRRSA-N 2 1 315.486 3.389 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000558419252 435087905 /nfs/dbraw/zinc/08/79/05/435087905.db2.gz RMROKMQALVRFHW-NSHGMRRFSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000558419252 435087910 /nfs/dbraw/zinc/08/79/10/435087910.db2.gz RMROKMQALVRFHW-NSHGMRRFSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000558419252 435087914 /nfs/dbraw/zinc/08/79/14/435087914.db2.gz RMROKMQALVRFHW-NSHGMRRFSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000558419252 435087918 /nfs/dbraw/zinc/08/79/18/435087918.db2.gz RMROKMQALVRFHW-NSHGMRRFSA-N 2 1 315.505 3.142 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000558419252 435087923 /nfs/dbraw/zinc/08/79/23/435087923.db2.gz RMROKMQALVRFHW-NSHGMRRFSA-N 2 1 315.505 3.142 20 0 DGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000558419602 435089185 /nfs/dbraw/zinc/08/91/85/435089185.db2.gz RYRVIDSOGABLDQ-MSOLQXFVSA-N 2 1 309.542 3.161 20 0 DGADMP CO[C@H](C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638797721 435089458 /nfs/dbraw/zinc/08/94/58/435089458.db2.gz VNBCLMXOIQZYCC-XKGZKEIXSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[C@@H](CC[NH2+]CCC[C@H]2CCO2)C[N@H+]1Cc1ccccc1 ZINC000638795342 435089704 /nfs/dbraw/zinc/08/97/04/435089704.db2.gz BRTPPJWRFIIAGL-RLLQIKCJSA-N 2 1 316.489 3.446 20 0 DGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)c1 ZINC000638448357 435034621 /nfs/dbraw/zinc/03/46/21/435034621.db2.gz TZXWABYFXLZTHF-HZPDHXFCSA-N 2 1 308.491 3.119 20 0 DGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)c1 ZINC000638448357 435034626 /nfs/dbraw/zinc/03/46/26/435034626.db2.gz TZXWABYFXLZTHF-HZPDHXFCSA-N 2 1 308.491 3.119 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000557395449 435050394 /nfs/dbraw/zinc/05/03/94/435050394.db2.gz YHGUIJRCNPQJIF-SWBPCFCJSA-N 2 1 314.473 3.227 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000558423503 435090330 /nfs/dbraw/zinc/09/03/30/435090330.db2.gz LSEXDTFDFMZGPO-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000558423503 435090333 /nfs/dbraw/zinc/09/03/33/435090333.db2.gz LSEXDTFDFMZGPO-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000558423503 435090336 /nfs/dbraw/zinc/09/03/36/435090336.db2.gz LSEXDTFDFMZGPO-IAGOWNOFSA-N 2 1 318.461 3.010 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638566983 435053588 /nfs/dbraw/zinc/05/35/88/435053588.db2.gz UZNLQMVLCQMTDY-RTBURBONSA-N 2 1 315.505 3.223 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638581968 435053853 /nfs/dbraw/zinc/05/38/53/435053853.db2.gz IQKYDTNTRBTKSN-MFHCWRBVSA-N 2 1 316.489 3.351 20 0 DGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638581968 435053854 /nfs/dbraw/zinc/05/38/54/435053854.db2.gz IQKYDTNTRBTKSN-MFHCWRBVSA-N 2 1 316.489 3.351 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639081204 435147465 /nfs/dbraw/zinc/14/74/65/435147465.db2.gz FAEMYXKBBZCJRQ-SFHVURJKSA-N 2 1 313.489 3.073 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474473116 435148427 /nfs/dbraw/zinc/14/84/27/435148427.db2.gz DZPYWRGEFMWIGE-CABCVRRESA-N 2 1 312.885 3.390 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811454 435093303 /nfs/dbraw/zinc/09/33/03/435093303.db2.gz AKATZBOVVMHRPM-YLJYHZDGSA-N 2 1 322.456 3.243 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811454 435093307 /nfs/dbraw/zinc/09/33/07/435093307.db2.gz AKATZBOVVMHRPM-YLJYHZDGSA-N 2 1 322.456 3.243 20 0 DGADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638863642 435107770 /nfs/dbraw/zinc/10/77/70/435107770.db2.gz BHYPFRVKRRCHJH-FGTMMUONSA-N 2 1 306.494 3.047 20 0 DGADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000578766602 435110307 /nfs/dbraw/zinc/11/03/07/435110307.db2.gz BLTTYCXTFZJHRS-YZGWKJHDSA-N 2 1 307.441 3.339 20 0 DGADMP C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914443 435116994 /nfs/dbraw/zinc/11/69/94/435116994.db2.gz AIZXNEWWKPUXKB-OVZGMEQFSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000578939784 435119943 /nfs/dbraw/zinc/11/99/43/435119943.db2.gz OUYWYWKTYNHRAK-ZDUSSCGKSA-N 2 1 313.283 3.436 20 0 DGADMP Cn1cncc1CCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000579022193 435127805 /nfs/dbraw/zinc/12/78/05/435127805.db2.gz QBYJCQGSJMWDOR-UHFFFAOYSA-N 2 1 317.383 3.420 20 0 DGADMP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000579192468 435137438 /nfs/dbraw/zinc/13/74/38/435137438.db2.gz GNNKMYOPTATNPP-IBGZPJMESA-N 2 1 312.457 3.098 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000579192468 435137442 /nfs/dbraw/zinc/13/74/42/435137442.db2.gz GNNKMYOPTATNPP-IBGZPJMESA-N 2 1 312.457 3.098 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000579192468 435137446 /nfs/dbraw/zinc/13/74/46/435137446.db2.gz GNNKMYOPTATNPP-IBGZPJMESA-N 2 1 312.457 3.098 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000579192468 435137449 /nfs/dbraw/zinc/13/74/49/435137449.db2.gz GNNKMYOPTATNPP-IBGZPJMESA-N 2 1 312.457 3.098 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccn1 ZINC000559916183 435142446 /nfs/dbraw/zinc/14/24/46/435142446.db2.gz RXTPSYMHGIGADQ-HOTGVXAUSA-N 2 1 305.466 3.109 20 0 DGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000559916183 435142451 /nfs/dbraw/zinc/14/24/51/435142451.db2.gz RXTPSYMHGIGADQ-HOTGVXAUSA-N 2 1 305.466 3.109 20 0 DGADMP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000559919615 435142681 /nfs/dbraw/zinc/14/26/81/435142681.db2.gz OHHCSFRNBCVUFQ-QTMHVTGLSA-N 2 1 302.437 3.377 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475286593 435186886 /nfs/dbraw/zinc/18/68/86/435186886.db2.gz QXKWUJSPGUBEJN-YLJYHZDGSA-N 2 1 316.489 3.303 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475289454 435187014 /nfs/dbraw/zinc/18/70/14/435187014.db2.gz ZAFATDGIIZUCPB-RBUKOAKNSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000579852670 435187940 /nfs/dbraw/zinc/18/79/40/435187940.db2.gz TUXQDXPTRMZBKB-NHYWBVRUSA-N 2 1 311.267 3.187 20 0 DGADMP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475286592 435188155 /nfs/dbraw/zinc/18/81/55/435188155.db2.gz QXKWUJSPGUBEJN-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493901352 435192291 /nfs/dbraw/zinc/19/22/91/435192291.db2.gz TVIJBCGTILBDPI-RHQZKXFESA-N 2 1 320.521 3.292 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639194718 435192967 /nfs/dbraw/zinc/19/29/67/435192967.db2.gz JUPDJOCYGCZUQS-UXHICEINSA-N 2 1 316.489 3.447 20 0 DGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000560880411 435193965 /nfs/dbraw/zinc/19/39/65/435193965.db2.gz OJWPKMRBLWTZJN-WCXIOVBPSA-N 2 1 321.534 3.061 20 0 DGADMP Cc1ccc2cc[nH+]c(N3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC000579466423 435156540 /nfs/dbraw/zinc/15/65/40/435156540.db2.gz BDDSVALMXXJWKD-UHFFFAOYSA-N 2 1 313.445 3.090 20 0 DGADMP C[C@H](O)CC[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639106951 435156631 /nfs/dbraw/zinc/15/66/31/435156631.db2.gz YHHRAXSLQNEQOW-FXAWDEMLSA-N 2 1 318.505 3.285 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474717406 435157610 /nfs/dbraw/zinc/15/76/10/435157610.db2.gz BULYSWDISIWUQJ-MOPGFXCFSA-N 2 1 309.542 3.064 20 0 DGADMP CO[C@](C)(C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C1CC1 ZINC000639110064 435158033 /nfs/dbraw/zinc/15/80/33/435158033.db2.gz LACRNBJXQBAGAM-GOSISDBHSA-N 2 1 304.434 3.048 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000579489412 435160410 /nfs/dbraw/zinc/16/04/10/435160410.db2.gz SIZHBYQAKRHUDQ-UHFFFAOYSA-N 2 1 307.825 3.017 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000579489412 435160415 /nfs/dbraw/zinc/16/04/15/435160415.db2.gz SIZHBYQAKRHUDQ-UHFFFAOYSA-N 2 1 307.825 3.017 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120651 435163486 /nfs/dbraw/zinc/16/34/86/435163486.db2.gz XWRGDHXVHQNLTE-MJGOQNOKSA-N 2 1 302.462 3.107 20 0 DGADMP OCCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120651 435163488 /nfs/dbraw/zinc/16/34/88/435163488.db2.gz XWRGDHXVHQNLTE-MJGOQNOKSA-N 2 1 302.462 3.107 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639136522 435170302 /nfs/dbraw/zinc/17/03/02/435170302.db2.gz NGOWLEKOHSKCPQ-AWEZNQCLSA-N 2 1 322.518 3.294 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532525439 435172910 /nfs/dbraw/zinc/17/29/10/435172910.db2.gz WLIBPFHFVFXBFC-XJKCOSOUSA-N 2 1 323.868 3.129 20 0 DGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532525439 435172913 /nfs/dbraw/zinc/17/29/13/435172913.db2.gz WLIBPFHFVFXBFC-XJKCOSOUSA-N 2 1 323.868 3.129 20 0 DGADMP CCc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000532520348 435173473 /nfs/dbraw/zinc/17/34/73/435173473.db2.gz CWNCXEWXPNGYIR-CQSZACIVSA-N 2 1 317.433 3.028 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560547812 435178370 /nfs/dbraw/zinc/17/83/70/435178370.db2.gz CNJKQJRHCYVCPR-QWFCFKBJSA-N 2 1 315.505 3.494 20 0 DGADMP Cc1cccc(C)c1OCCCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000579791334 435182727 /nfs/dbraw/zinc/18/27/27/435182727.db2.gz HQGGWLMPSJYWBY-ZWKOTPCHSA-N 2 1 302.462 3.241 20 0 DGADMP Cc1cccc(C)c1OCCCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000579791334 435182728 /nfs/dbraw/zinc/18/27/28/435182728.db2.gz HQGGWLMPSJYWBY-ZWKOTPCHSA-N 2 1 302.462 3.241 20 0 DGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561777304 435233606 /nfs/dbraw/zinc/23/36/06/435233606.db2.gz MWZGRJXWRRIJCZ-BJLQDIEVSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000561777304 435233610 /nfs/dbraw/zinc/23/36/10/435233610.db2.gz MWZGRJXWRRIJCZ-BJLQDIEVSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639308976 435237596 /nfs/dbraw/zinc/23/75/96/435237596.db2.gz ISVXYECHLNAYQI-WSTZPKSXSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639308976 435237598 /nfs/dbraw/zinc/23/75/98/435237598.db2.gz ISVXYECHLNAYQI-WSTZPKSXSA-N 2 1 316.489 3.351 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1)C1CC1 ZINC000562038470 435247155 /nfs/dbraw/zinc/24/71/55/435247155.db2.gz RPKSOQDTMOPJJC-QGZVFWFLSA-N 2 1 322.880 3.154 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1)C1CC1 ZINC000562038470 435247161 /nfs/dbraw/zinc/24/71/61/435247161.db2.gz RPKSOQDTMOPJJC-QGZVFWFLSA-N 2 1 322.880 3.154 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000583945080 435258889 /nfs/dbraw/zinc/25/88/89/435258889.db2.gz GYHDROWYXOANAA-VHSXEESVSA-N 2 1 308.294 3.343 20 0 DGADMP c1cc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000643056207 435264549 /nfs/dbraw/zinc/26/45/49/435264549.db2.gz AERVRHZMBHBFMS-HNNXBMFYSA-N 2 1 316.445 3.160 20 0 DGADMP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000648359791 435273880 /nfs/dbraw/zinc/27/38/80/435273880.db2.gz YCWFMHULSJXBMG-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP C[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000648359791 435273886 /nfs/dbraw/zinc/27/38/86/435273886.db2.gz YCWFMHULSJXBMG-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CCC[N@H+](C)C1 ZINC000648359791 435273890 /nfs/dbraw/zinc/27/38/90/435273890.db2.gz YCWFMHULSJXBMG-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000648359791 435273895 /nfs/dbraw/zinc/27/38/95/435273895.db2.gz YCWFMHULSJXBMG-LBPRGKRZSA-N 2 1 307.825 3.255 20 0 DGADMP CC[C@@H]1C[NH+](CCCC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000534275547 435275608 /nfs/dbraw/zinc/27/56/08/435275608.db2.gz QBSJUTRZPAONCI-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP CC[C@@H]1C[N@H+](CCCC[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000534275547 435275613 /nfs/dbraw/zinc/27/56/13/435275613.db2.gz QBSJUTRZPAONCI-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP CC[C@@H]1C[N@@H+](CCCC[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000534275547 435275618 /nfs/dbraw/zinc/27/56/18/435275618.db2.gz QBSJUTRZPAONCI-IYBDPMFKSA-N 2 1 316.580 3.421 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC000477914002 435283774 /nfs/dbraw/zinc/28/37/74/435283774.db2.gz LSNLHNLOEJNVDQ-HNNXBMFYSA-N 2 1 320.477 3.476 20 0 DGADMP Cc1nc2ccc(C[N@H+](C)[C@H]3CN4CCC3CC4)cc2s1 ZINC000639396929 435283860 /nfs/dbraw/zinc/28/38/60/435283860.db2.gz MDFQZVVKVFAUAH-INIZCTEOSA-N 2 1 301.459 3.131 20 0 DGADMP Cc1nc2ccc(CN(C)[C@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000639396929 435283866 /nfs/dbraw/zinc/28/38/66/435283866.db2.gz MDFQZVVKVFAUAH-INIZCTEOSA-N 2 1 301.459 3.131 20 0 DGADMP CCCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000567210819 435297027 /nfs/dbraw/zinc/29/70/27/435297027.db2.gz LCVIVUKHWGYNBR-KRWDZBQOSA-N 2 1 320.477 3.066 20 0 DGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534974486 435307122 /nfs/dbraw/zinc/30/71/22/435307122.db2.gz RKWLCMNUARCQMP-SFHVURJKSA-N 2 1 322.880 3.154 20 0 DGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000535315193 435327764 /nfs/dbraw/zinc/32/77/64/435327764.db2.gz XNJGRKQLBMYTNJ-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP Cn1ccnc1[C@@H]1CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000535315193 435327771 /nfs/dbraw/zinc/32/77/71/435327771.db2.gz XNJGRKQLBMYTNJ-GFCCVEGCSA-N 2 1 314.414 3.126 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000511731512 435331699 /nfs/dbraw/zinc/33/16/99/435331699.db2.gz YWYPDKIPVLMKDS-SJLPKXTDSA-N 2 1 304.478 3.423 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000511731512 435331705 /nfs/dbraw/zinc/33/17/05/435331705.db2.gz YWYPDKIPVLMKDS-SJLPKXTDSA-N 2 1 304.478 3.423 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480198 435334968 /nfs/dbraw/zinc/33/49/68/435334968.db2.gz FAOUOQQPRHMFSJ-ORFRNNEJSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000643480198 435334972 /nfs/dbraw/zinc/33/49/72/435334972.db2.gz FAOUOQQPRHMFSJ-ORFRNNEJSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480198 435334977 /nfs/dbraw/zinc/33/49/77/435334977.db2.gz FAOUOQQPRHMFSJ-ORFRNNEJSA-N 2 1 315.505 3.003 20 0 DGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OC)c(OC)c1 ZINC000567624733 435336648 /nfs/dbraw/zinc/33/66/48/435336648.db2.gz YWFVHKPJPAXBMV-MRXNPFEDSA-N 2 1 317.433 3.111 20 0 DGADMP CC[C@@H](Cc1cccs1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000643498093 435337166 /nfs/dbraw/zinc/33/71/66/435337166.db2.gz XVHCFHVWSNJTST-INIZCTEOSA-N 2 1 303.475 3.234 20 0 DGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567651523 435337430 /nfs/dbraw/zinc/33/74/30/435337430.db2.gz ZUDSRYYBVUSSDQ-IAGOWNOFSA-N 2 1 317.477 3.032 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502400 435338446 /nfs/dbraw/zinc/33/84/46/435338446.db2.gz FHILVLJKIMDYHQ-TZMCWYRMSA-N 2 1 300.368 3.368 20 0 DGADMP CN(Cc1ccns1)[C@@H]1CCC[N@H+](Cc2ccns2)CC1 ZINC000639546971 435339383 /nfs/dbraw/zinc/33/93/83/435339383.db2.gz NXXUZZZETROEAP-CYBMUJFWSA-N 2 1 322.503 3.086 20 0 DGADMP CN(Cc1ccns1)[C@@H]1CCC[N@@H+](Cc2ccns2)CC1 ZINC000639546971 435339386 /nfs/dbraw/zinc/33/93/86/435339386.db2.gz NXXUZZZETROEAP-CYBMUJFWSA-N 2 1 322.503 3.086 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(-c2ccccc2)nn1C ZINC000643548552 435348205 /nfs/dbraw/zinc/34/82/05/435348205.db2.gz QSQBCQCBSXFZJC-NVXWUHKLSA-N 2 1 324.472 3.412 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000639566833 435348520 /nfs/dbraw/zinc/34/85/20/435348520.db2.gz LMXWCPJMKYIEAN-MRXNPFEDSA-N 2 1 322.412 3.373 20 0 DGADMP Cc1ccc(C)c([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000479699759 435349234 /nfs/dbraw/zinc/34/92/34/435349234.db2.gz LIAWYVXCQKIDCV-FXAWDEMLSA-N 2 1 316.489 3.455 20 0 DGADMP C[C@H](NCCc1nccn1Cc1ccccc1)c1cscn1 ZINC000535777530 435350912 /nfs/dbraw/zinc/35/09/12/435350912.db2.gz GGEUEXKEGADIAX-AWEZNQCLSA-N 2 1 312.442 3.281 20 0 DGADMP COCC[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512330576 435353047 /nfs/dbraw/zinc/35/30/47/435353047.db2.gz KGIGVYZZIOLZMZ-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000535811965 435357056 /nfs/dbraw/zinc/35/70/56/435357056.db2.gz KSBFNKUHYXFIFJ-UHFFFAOYSA-N 2 1 302.462 3.174 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593288 435357230 /nfs/dbraw/zinc/35/72/30/435357230.db2.gz UCJOZTVUEQXBDK-INIZCTEOSA-N 2 1 305.809 3.009 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594382 435357639 /nfs/dbraw/zinc/35/76/39/435357639.db2.gz AGLGTRPPSNXUSW-QGZVFWFLSA-N 2 1 319.836 3.399 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594382 435357643 /nfs/dbraw/zinc/35/76/43/435357643.db2.gz AGLGTRPPSNXUSW-QGZVFWFLSA-N 2 1 319.836 3.399 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594382 435357648 /nfs/dbraw/zinc/35/76/48/435357648.db2.gz AGLGTRPPSNXUSW-QGZVFWFLSA-N 2 1 319.836 3.399 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594382 435357653 /nfs/dbraw/zinc/35/76/53/435357653.db2.gz AGLGTRPPSNXUSW-QGZVFWFLSA-N 2 1 319.836 3.399 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594381 435357893 /nfs/dbraw/zinc/35/78/93/435357893.db2.gz AGLGTRPPSNXUSW-KRWDZBQOSA-N 2 1 319.836 3.399 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594381 435357897 /nfs/dbraw/zinc/35/78/97/435357897.db2.gz AGLGTRPPSNXUSW-KRWDZBQOSA-N 2 1 319.836 3.399 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594381 435357901 /nfs/dbraw/zinc/35/79/01/435357901.db2.gz AGLGTRPPSNXUSW-KRWDZBQOSA-N 2 1 319.836 3.399 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648594381 435357906 /nfs/dbraw/zinc/35/79/06/435357906.db2.gz AGLGTRPPSNXUSW-KRWDZBQOSA-N 2 1 319.836 3.399 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000568176899 435400487 /nfs/dbraw/zinc/40/04/87/435400487.db2.gz HXWDAHLAXVFUJP-KRWDZBQOSA-N 2 1 319.836 3.159 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000568176899 435400492 /nfs/dbraw/zinc/40/04/92/435400492.db2.gz HXWDAHLAXVFUJP-KRWDZBQOSA-N 2 1 319.836 3.159 20 0 DGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000648731355 435401524 /nfs/dbraw/zinc/40/15/24/435401524.db2.gz RQADCTOQGBBGOR-CQSZACIVSA-N 2 1 314.433 3.097 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000481019781 435407748 /nfs/dbraw/zinc/40/77/48/435407748.db2.gz GKRGMHMGTZTQJD-SWLSCSKDSA-N 2 1 300.368 3.178 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756227 435408609 /nfs/dbraw/zinc/40/86/09/435408609.db2.gz RVMNDAZGIYSEKM-UHFFFAOYSA-N 2 1 324.472 3.098 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)CC1 ZINC000639758158 435409321 /nfs/dbraw/zinc/40/93/21/435409321.db2.gz PMGNZXRZWDYODC-UHFFFAOYSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](CCCc3c(F)cccc3F)C2)CC1 ZINC000639756196 435409344 /nfs/dbraw/zinc/40/93/44/435409344.db2.gz RJHVNDNCQBPQNN-UHFFFAOYSA-N 2 1 308.416 3.315 20 0 DGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1SC ZINC000639757600 435409367 /nfs/dbraw/zinc/40/93/67/435409367.db2.gz IZMNYEBLKRMTDM-UHFFFAOYSA-N 2 1 320.502 3.335 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3ncc(Cl)cc3Cl)C2)CC1 ZINC000639756815 435410127 /nfs/dbraw/zinc/41/01/27/435410127.db2.gz CXFKQSVUDNULOJ-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)CC1 ZINC000639756815 435410130 /nfs/dbraw/zinc/41/01/30/435410130.db2.gz CXFKQSVUDNULOJ-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757179 435410307 /nfs/dbraw/zinc/41/03/07/435410307.db2.gz IEMGFZWRUZRLDO-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756622 435410517 /nfs/dbraw/zinc/41/05/17/435410517.db2.gz ZGDGAGWOWLQHTQ-UHFFFAOYSA-N 2 1 301.478 3.431 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000568237823 435411365 /nfs/dbraw/zinc/41/13/65/435411365.db2.gz HBOWKCTWYABZBS-WMLDXEAASA-N 2 1 317.433 3.294 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779041 435411371 /nfs/dbraw/zinc/41/13/71/435411371.db2.gz WWBKMYTZJMMNMH-GOSISDBHSA-N 2 1 307.401 3.241 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000536856472 435416136 /nfs/dbraw/zinc/41/61/36/435416136.db2.gz FYKVXHCMPLTRCN-TZMCWYRMSA-N 2 1 316.367 3.014 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000536874945 435417514 /nfs/dbraw/zinc/41/75/14/435417514.db2.gz FRMWSPGNNLZCRE-ROUUACIJSA-N 2 1 304.478 3.392 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CN(c4nc5ccccc5[nH]4)C[C@H]3C2)cc1 ZINC000480591417 435386762 /nfs/dbraw/zinc/38/67/62/435386762.db2.gz SVYFZMGKCHEDNK-CALCHBBNSA-N 2 1 318.424 3.131 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C[NH+]1CCCCCC1)CC2 ZINC000480697777 435390435 /nfs/dbraw/zinc/39/04/35/435390435.db2.gz LFLUFNBXZUUYOF-APWZRJJASA-N 2 1 316.489 3.407 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000639685658 435391391 /nfs/dbraw/zinc/39/13/91/435391391.db2.gz WTOGOMPAARVGSG-UHFFFAOYSA-N 2 1 310.445 3.114 20 0 DGADMP Fc1cc(F)cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639684088 435392020 /nfs/dbraw/zinc/39/20/20/435392020.db2.gz QNTUHHMABDAQKU-UHFFFAOYSA-N 2 1 303.356 3.072 20 0 DGADMP FC1(F)CCCC[C@@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684619 435392048 /nfs/dbraw/zinc/39/20/48/435392048.db2.gz XMCNWMIYNCUQJI-OAHLLOKOSA-N 2 1 309.404 3.419 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000480754253 435393848 /nfs/dbraw/zinc/39/38/48/435393848.db2.gz CUYZYTWEDIURLD-MRXNPFEDSA-N 2 1 304.478 3.184 20 0 DGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000480783230 435395673 /nfs/dbraw/zinc/39/56/73/435395673.db2.gz ZEKBSULDJHNRQL-MJGOQNOKSA-N 2 1 317.521 3.389 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000514877314 435446220 /nfs/dbraw/zinc/44/62/20/435446220.db2.gz HSZUFMOPZXPKJU-QZTJIDSGSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000514877314 435446225 /nfs/dbraw/zinc/44/62/25/435446225.db2.gz HSZUFMOPZXPKJU-QZTJIDSGSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000514877314 435446229 /nfs/dbraw/zinc/44/62/29/435446229.db2.gz HSZUFMOPZXPKJU-QZTJIDSGSA-N 2 1 306.494 3.142 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639983741 435480536 /nfs/dbraw/zinc/48/05/36/435480536.db2.gz CONATILZKZQMHF-INIZCTEOSA-N 2 1 307.507 3.272 20 0 DGADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000482736580 435480660 /nfs/dbraw/zinc/48/06/60/435480660.db2.gz VOASOGVUEZOVAO-PMACEKPBSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000482736580 435480666 /nfs/dbraw/zinc/48/06/66/435480666.db2.gz VOASOGVUEZOVAO-PMACEKPBSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)CC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482736580 435480670 /nfs/dbraw/zinc/48/06/70/435480670.db2.gz VOASOGVUEZOVAO-PMACEKPBSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)(C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000482158199 435455053 /nfs/dbraw/zinc/45/50/53/435455053.db2.gz PAPFBBBGNMHYNC-UHFFFAOYSA-N 2 1 316.489 3.408 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000644576917 435462358 /nfs/dbraw/zinc/46/23/58/435462358.db2.gz JCJPCPDACZWJGQ-IYWMVGAKSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000644576917 435462363 /nfs/dbraw/zinc/46/23/63/435462363.db2.gz JCJPCPDACZWJGQ-IYWMVGAKSA-N 2 1 316.489 3.038 20 0 DGADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CCCC1 ZINC000568740905 435466917 /nfs/dbraw/zinc/46/69/17/435466917.db2.gz KQPJFJBOMIGZGG-UHFFFAOYSA-N 2 1 323.868 3.133 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983939 435479183 /nfs/dbraw/zinc/47/91/83/435479183.db2.gz OTYDIRYRJNFTIO-SFHVURJKSA-N 2 1 307.526 3.200 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000568512216 435443261 /nfs/dbraw/zinc/44/32/61/435443261.db2.gz KJNYMYIIWYMXLQ-OAHLLOKOSA-N 3 1 320.440 3.490 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)cc(C)n1 ZINC000538570062 435506124 /nfs/dbraw/zinc/50/61/24/435506124.db2.gz MHGYPHNRKQSBSD-APWZRJJASA-N 2 1 319.493 3.389 20 0 DGADMP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000640080082 435513013 /nfs/dbraw/zinc/51/30/13/435513013.db2.gz UQGPUWQWAKAMPP-AABGKKOBSA-N 2 1 314.473 3.018 20 0 DGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000569213968 435513232 /nfs/dbraw/zinc/51/32/32/435513232.db2.gz JKRWHDLBMGEUKA-ZNWBIBPKSA-N 2 1 316.489 3.004 20 0 DGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000569213968 435513234 /nfs/dbraw/zinc/51/32/34/435513234.db2.gz JKRWHDLBMGEUKA-ZNWBIBPKSA-N 2 1 316.489 3.004 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000538750324 435520663 /nfs/dbraw/zinc/52/06/63/435520663.db2.gz RNUYOUIZRQPDJL-SFFCAUCYSA-N 2 1 320.452 3.272 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569317597 435522311 /nfs/dbraw/zinc/52/23/11/435522311.db2.gz VSSAJXPKOYCAAC-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569317597 435522316 /nfs/dbraw/zinc/52/23/16/435522316.db2.gz VSSAJXPKOYCAAC-QFBILLFUSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568901076 435482594 /nfs/dbraw/zinc/48/25/94/435482594.db2.gz LNONUTCCJBHSFJ-UXPWSPDFSA-N 3 1 315.505 3.421 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482849146 435483335 /nfs/dbraw/zinc/48/33/35/435483335.db2.gz ZTPYKUYNOZQURD-YSIASYRMSA-N 2 1 318.505 3.284 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000644676953 435485975 /nfs/dbraw/zinc/48/59/75/435485975.db2.gz BSFGGUMMRWVDOT-XUVXKRRUSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000644676953 435485978 /nfs/dbraw/zinc/48/59/78/435485978.db2.gz BSFGGUMMRWVDOT-XUVXKRRUSA-N 2 1 316.489 3.038 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000515466921 435486382 /nfs/dbraw/zinc/48/63/82/435486382.db2.gz FFOZNTCCVUVAFG-IRXDYDNUSA-N 2 1 324.534 3.347 20 0 DGADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000515466921 435486387 /nfs/dbraw/zinc/48/63/87/435486387.db2.gz FFOZNTCCVUVAFG-IRXDYDNUSA-N 2 1 324.534 3.347 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cc(C)ccc2C)C1 ZINC000483092525 435492389 /nfs/dbraw/zinc/49/23/89/435492389.db2.gz VXGZQXWVLZKNMY-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cc(C)ccc2C)C1 ZINC000483092525 435492395 /nfs/dbraw/zinc/49/23/95/435492395.db2.gz VXGZQXWVLZKNMY-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cc(C)ccc2C)C1 ZINC000483092525 435492400 /nfs/dbraw/zinc/49/24/00/435492400.db2.gz VXGZQXWVLZKNMY-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(OCC2CC2)c1 ZINC000484599207 435549113 /nfs/dbraw/zinc/54/91/13/435549113.db2.gz BUGPTKCCBRFCBV-QAPCUYQASA-N 2 1 302.462 3.214 20 0 DGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(OCC2CC2)c1 ZINC000484599207 435549119 /nfs/dbraw/zinc/54/91/19/435549119.db2.gz BUGPTKCCBRFCBV-QAPCUYQASA-N 2 1 302.462 3.214 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000569705949 435554138 /nfs/dbraw/zinc/55/41/38/435554138.db2.gz GOHOYSYMWSAEAL-BLLLJJGKSA-N 2 1 318.852 3.146 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000569705949 435554144 /nfs/dbraw/zinc/55/41/44/435554144.db2.gz GOHOYSYMWSAEAL-BLLLJJGKSA-N 2 1 318.852 3.146 20 0 DGADMP Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645091296 435565275 /nfs/dbraw/zinc/56/52/75/435565275.db2.gz ADTYNRBTTMPFHS-UHFFFAOYSA-N 2 1 310.445 3.231 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645095081 435565372 /nfs/dbraw/zinc/56/53/72/435565372.db2.gz DYMKNSDFIBKQSY-GFCCVEGCSA-N 2 1 303.454 3.497 20 0 DGADMP Cc1cccc(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000569963602 435574791 /nfs/dbraw/zinc/57/47/91/435574791.db2.gz FFIVBEFVABTXFP-FQEVSTJZSA-N 2 1 323.484 3.386 20 0 DGADMP c1ccc2oc([C@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC000649411522 435580459 /nfs/dbraw/zinc/58/04/59/435580459.db2.gz AOCZNCGIWLOTBD-INIZCTEOSA-N 2 1 313.445 3.397 20 0 DGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000649412223 435580801 /nfs/dbraw/zinc/58/08/01/435580801.db2.gz XRMRXNMATIWJJL-HXUWFJFHSA-N 3 1 321.553 3.354 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000649418291 435582766 /nfs/dbraw/zinc/58/27/66/435582766.db2.gz XJCMMIOIWWKWCC-IYBDPMFKSA-N 2 1 311.429 3.081 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(F)c1 ZINC000517241221 435584329 /nfs/dbraw/zinc/58/43/29/435584329.db2.gz QYLGDIGSIXJJKB-GUYCJALGSA-N 2 1 303.381 3.114 20 0 DGADMP C[N@H+]1Cc2ccccc2[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000540155810 435591508 /nfs/dbraw/zinc/59/15/08/435591508.db2.gz LJSTULKSMGEVQY-HXUWFJFHSA-N 2 1 313.489 3.170 20 0 DGADMP C[N@@H+]1Cc2ccccc2[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000540155810 435591511 /nfs/dbraw/zinc/59/15/11/435591511.db2.gz LJSTULKSMGEVQY-HXUWFJFHSA-N 2 1 313.489 3.170 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000539092488 435541055 /nfs/dbraw/zinc/54/10/55/435541055.db2.gz BYLDSZIQNLDDLJ-NEPJUHHUSA-N 2 1 317.260 3.445 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000539092488 435541061 /nfs/dbraw/zinc/54/10/61/435541061.db2.gz BYLDSZIQNLDDLJ-NEPJUHHUSA-N 2 1 317.260 3.445 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1O ZINC000516604585 435542697 /nfs/dbraw/zinc/54/26/97/435542697.db2.gz ZCWJNMXCSPHNMK-RDJZCZTQSA-N 2 1 320.477 3.042 20 0 DGADMP Cc1ncncc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000570342585 435610646 /nfs/dbraw/zinc/61/06/46/435610646.db2.gz DACVZHFBVCEDFZ-OAHLLOKOSA-N 2 1 302.466 3.233 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000540188834 435594272 /nfs/dbraw/zinc/59/42/72/435594272.db2.gz PLFVWPYNYOIERQ-FZMZJTMJSA-N 2 1 301.261 3.466 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]CCCc2c[nH+]cn2C)C12CCCCC2 ZINC000570981538 435668726 /nfs/dbraw/zinc/66/87/26/435668726.db2.gz QGETVELVEQEUTP-SJORKVTESA-N 2 1 305.466 3.070 20 0 DGADMP FC1(F)C(F)(F)C12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC000649709711 435677403 /nfs/dbraw/zinc/67/74/03/435677403.db2.gz XNZUWRXEERYOBU-UHFFFAOYSA-N 2 1 308.363 3.229 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000519523038 435684979 /nfs/dbraw/zinc/68/49/79/435684979.db2.gz PNRBJGUMSMVMMR-AWEZNQCLSA-N 2 1 315.461 3.096 20 0 DGADMP CS[C@H]1CC[NH+](CCC(C)CC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000519586913 435691485 /nfs/dbraw/zinc/69/14/85/435691485.db2.gz ROADTWUPRSMNFK-HOTGVXAUSA-N 2 1 316.580 3.277 20 0 DGADMP CC[N@@H+](C)C[C@H](O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000519610976 435694033 /nfs/dbraw/zinc/69/40/33/435694033.db2.gz OUEZJXKUFSGZQY-GFCCVEGCSA-N 2 1 319.276 3.131 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2nsc3ccccc32)CC1 ZINC000660416972 435732772 /nfs/dbraw/zinc/73/27/72/435732772.db2.gz ZNYZOKUTLWVUBK-AWEZNQCLSA-N 2 1 303.475 3.255 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2nsc3ccccc32)CC1 ZINC000660416972 435732781 /nfs/dbraw/zinc/73/27/81/435732781.db2.gz ZNYZOKUTLWVUBK-AWEZNQCLSA-N 2 1 303.475 3.255 20 0 DGADMP COc1cccc(SCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000660416592 435734423 /nfs/dbraw/zinc/73/44/23/435734423.db2.gz UABRQIMHWVORAH-HNNXBMFYSA-N 2 1 308.491 3.203 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000660416592 435734427 /nfs/dbraw/zinc/73/44/27/435734427.db2.gz UABRQIMHWVORAH-HNNXBMFYSA-N 2 1 308.491 3.203 20 0 DGADMP Cc1ccccc1C(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655704679 435734985 /nfs/dbraw/zinc/73/49/85/435734985.db2.gz HZHIQSFYCLATJS-GOSISDBHSA-N 2 1 316.489 3.116 20 0 DGADMP c1ccc2cc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2c1 ZINC000655702315 435736937 /nfs/dbraw/zinc/73/69/37/435736937.db2.gz SNDDIKBIEIBUPC-NRFANRHFSA-N 2 1 324.468 3.225 20 0 DGADMP CO[C@@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C1CCC1 ZINC000660431196 435739942 /nfs/dbraw/zinc/73/99/42/435739942.db2.gz RDPXBAPFQLXCSL-SFHVURJKSA-N 2 1 304.434 3.048 20 0 DGADMP FC1(F)C[C@]12CC[NH+](C/C=C/C[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907487 435746383 /nfs/dbraw/zinc/74/63/83/435746383.db2.gz SNRUFUCNVLFFFT-FAVCQXFFSA-N 2 1 318.358 3.005 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000655719373 435748650 /nfs/dbraw/zinc/74/86/50/435748650.db2.gz RXCVFEXCXUJIKV-KNBMTAEXSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000655719373 435748652 /nfs/dbraw/zinc/74/86/52/435748652.db2.gz RXCVFEXCXUJIKV-KNBMTAEXSA-N 2 1 324.472 3.346 20 0 DGADMP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655716677 435748965 /nfs/dbraw/zinc/74/89/65/435748965.db2.gz XAKYAUIFFGBVED-ZHALLVOQSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000548714741 435710213 /nfs/dbraw/zinc/71/02/13/435710213.db2.gz RLJJEKHTZSZREU-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000548714741 435710218 /nfs/dbraw/zinc/71/02/18/435710218.db2.gz RLJJEKHTZSZREU-DLBZAZTESA-N 2 1 323.525 3.020 20 0 DGADMP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000548859576 435722629 /nfs/dbraw/zinc/72/26/29/435722629.db2.gz ZSNZVMSTWWQPAY-ZWKOTPCHSA-N 2 1 306.494 3.332 20 0 DGADMP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000548859574 435723755 /nfs/dbraw/zinc/72/37/55/435723755.db2.gz ZSNZVMSTWWQPAY-QZTJIDSGSA-N 2 1 306.494 3.332 20 0 DGADMP c1cc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2s1 ZINC000655768414 435788259 /nfs/dbraw/zinc/78/82/59/435788259.db2.gz ZAHLHENDLYRBON-QGZVFWFLSA-N 2 1 316.470 3.244 20 0 DGADMP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655774022 435788917 /nfs/dbraw/zinc/78/89/17/435788917.db2.gz NXYBMTZYENPABJ-WMZOPIPTSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1=CCCC1 ZINC000655775139 435791532 /nfs/dbraw/zinc/79/15/32/435791532.db2.gz PTDBUBZWKOZBLU-SFHVURJKSA-N 2 1 306.494 3.356 20 0 DGADMP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655779573 435792887 /nfs/dbraw/zinc/79/28/87/435792887.db2.gz NYJFCKCPJAUBSC-MISYRCLQSA-N 2 1 314.473 3.023 20 0 DGADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655779307 435793920 /nfs/dbraw/zinc/79/39/20/435793920.db2.gz IDFBBZJHHABBRM-GOSISDBHSA-N 2 1 314.473 3.217 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000660558069 435804568 /nfs/dbraw/zinc/80/45/68/435804568.db2.gz QYFJXRJJNDBDIH-GJZGRUSLSA-N 2 1 318.436 3.331 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000660558069 435804573 /nfs/dbraw/zinc/80/45/73/435804573.db2.gz QYFJXRJJNDBDIH-GJZGRUSLSA-N 2 1 318.436 3.331 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000550885041 435812324 /nfs/dbraw/zinc/81/23/24/435812324.db2.gz CBXCYPBCTMJRNB-FXAWDEMLSA-N 2 1 314.473 3.496 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000550885041 435812329 /nfs/dbraw/zinc/81/23/29/435812329.db2.gz CBXCYPBCTMJRNB-FXAWDEMLSA-N 2 1 314.473 3.496 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000551014741 435816092 /nfs/dbraw/zinc/81/60/92/435816092.db2.gz PPFMBFZLXDLIQH-ZCNNSNEGSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000551014741 435816096 /nfs/dbraw/zinc/81/60/96/435816096.db2.gz PPFMBFZLXDLIQH-ZCNNSNEGSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000551014739 435817272 /nfs/dbraw/zinc/81/72/72/435817272.db2.gz PPFMBFZLXDLIQH-XUVXKRRUSA-N 2 1 322.452 3.415 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000551014739 435817278 /nfs/dbraw/zinc/81/72/78/435817278.db2.gz PPFMBFZLXDLIQH-XUVXKRRUSA-N 2 1 322.452 3.415 20 0 DGADMP C[NH+](C)C1(C[NH2+][C@H](c2ccccc2)C2CCC2)CCOCC1 ZINC000641773101 435817646 /nfs/dbraw/zinc/81/76/46/435817646.db2.gz DVOVUMMHVLVTKR-GOSISDBHSA-N 2 1 302.462 3.228 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551052274 435820859 /nfs/dbraw/zinc/82/08/59/435820859.db2.gz ZFYKOZUYNCRVRK-CEXWTWQISA-N 2 1 304.478 3.209 20 0 DGADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551052274 435820865 /nfs/dbraw/zinc/82/08/65/435820865.db2.gz ZFYKOZUYNCRVRK-CEXWTWQISA-N 2 1 304.478 3.209 20 0 DGADMP Cn1cc(C[NH2+]CCC[NH+]2CCC2)c(-c2cc3ccccc3o2)n1 ZINC000655755237 435778910 /nfs/dbraw/zinc/77/89/10/435778910.db2.gz USGDSVJIAKLDKX-UHFFFAOYSA-N 2 1 324.428 3.019 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495862 435779111 /nfs/dbraw/zinc/77/91/11/435779111.db2.gz DBLOGFRKAYHVPD-HYVNUMGLSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495862 435779116 /nfs/dbraw/zinc/77/91/16/435779116.db2.gz DBLOGFRKAYHVPD-HYVNUMGLSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495862 435779122 /nfs/dbraw/zinc/77/91/22/435779122.db2.gz DBLOGFRKAYHVPD-HYVNUMGLSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000660495862 435779128 /nfs/dbraw/zinc/77/91/28/435779128.db2.gz DBLOGFRKAYHVPD-HYVNUMGLSA-N 2 1 322.518 3.378 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000572129713 435785615 /nfs/dbraw/zinc/78/56/15/435785615.db2.gz CLAIMLDVUIHTIF-MRXNPFEDSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCCO1 ZINC000572129713 435785621 /nfs/dbraw/zinc/78/56/21/435785621.db2.gz CLAIMLDVUIHTIF-MRXNPFEDSA-N 2 1 320.820 3.150 20 0 DGADMP c1ccc([C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655770279 435786470 /nfs/dbraw/zinc/78/64/70/435786470.db2.gz FJGBVZHNKIBCOH-WOJBJXKFSA-N 2 1 314.473 3.023 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccns1 ZINC000641798058 435828942 /nfs/dbraw/zinc/82/89/42/435828942.db2.gz GXBLMWLXJGIIJH-WMZOPIPTSA-N 2 1 315.486 3.315 20 0 DGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000660655808 435844954 /nfs/dbraw/zinc/84/49/54/435844954.db2.gz MULWHEJHHZRMTO-LSVZVQIISA-N 2 1 318.452 3.241 20 0 DGADMP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659163 435846936 /nfs/dbraw/zinc/84/69/36/435846936.db2.gz LBGMWFMDQQDYRT-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659163 435846942 /nfs/dbraw/zinc/84/69/42/435846942.db2.gz LBGMWFMDQQDYRT-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP COCC[C@@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659163 435846946 /nfs/dbraw/zinc/84/69/46/435846946.db2.gz LBGMWFMDQQDYRT-RBUKOAKNSA-N 2 1 302.462 3.182 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660660134 435849531 /nfs/dbraw/zinc/84/95/31/435849531.db2.gz URTQWJROVBEFME-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660660134 435849541 /nfs/dbraw/zinc/84/95/41/435849541.db2.gz URTQWJROVBEFME-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660660134 435849551 /nfs/dbraw/zinc/84/95/51/435849551.db2.gz URTQWJROVBEFME-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP CSc1ccc(OCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660660134 435849557 /nfs/dbraw/zinc/84/95/57/435849557.db2.gz URTQWJROVBEFME-SFHVURJKSA-N 2 1 320.502 3.205 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1nsc3ccccc31)C2 ZINC000660665711 435851936 /nfs/dbraw/zinc/85/19/36/435851936.db2.gz XIXBOKYXBBNULN-QGZVFWFLSA-N 2 1 301.459 3.214 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678566 435858374 /nfs/dbraw/zinc/85/83/74/435858374.db2.gz WFZWRWQVZSPNKJ-IBGZPJMESA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000551946527 435864894 /nfs/dbraw/zinc/86/48/94/435864894.db2.gz KTIJALKUCJSYMP-KLAILNCOSA-N 2 1 324.509 3.207 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000641796623 435825707 /nfs/dbraw/zinc/82/57/07/435825707.db2.gz DUIZSEFJFZLXSR-MRXNPFEDSA-N 2 1 301.434 3.455 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000641796623 435825711 /nfs/dbraw/zinc/82/57/11/435825711.db2.gz DUIZSEFJFZLXSR-MRXNPFEDSA-N 2 1 301.434 3.455 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000641799218 435827179 /nfs/dbraw/zinc/82/71/79/435827179.db2.gz OIVYWMKOBBSOOB-CVEARBPZSA-N 2 1 305.466 3.147 20 0 DGADMP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651982656 435884413 /nfs/dbraw/zinc/88/44/13/435884413.db2.gz DEYRCAPQEHUDGE-MRXNPFEDSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000652037818 435893079 /nfs/dbraw/zinc/89/30/79/435893079.db2.gz ZQLLFSRFGGMKBG-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000652037818 435893082 /nfs/dbraw/zinc/89/30/82/435893082.db2.gz ZQLLFSRFGGMKBG-IEBWSBKVSA-N 2 1 316.489 3.182 20 0 DGADMP C[N@H+]1CCC[C@]2(CCN(CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357905 435898456 /nfs/dbraw/zinc/89/84/56/435898456.db2.gz YLQLTHCQPCRLIP-KRWDZBQOSA-N 2 1 310.844 3.439 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357905 435898461 /nfs/dbraw/zinc/89/84/61/435898461.db2.gz YLQLTHCQPCRLIP-KRWDZBQOSA-N 2 1 310.844 3.439 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357905 435898466 /nfs/dbraw/zinc/89/84/66/435898466.db2.gz YLQLTHCQPCRLIP-KRWDZBQOSA-N 2 1 310.844 3.439 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357905 435898469 /nfs/dbraw/zinc/89/84/69/435898469.db2.gz YLQLTHCQPCRLIP-KRWDZBQOSA-N 2 1 310.844 3.439 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000552357905 435898471 /nfs/dbraw/zinc/89/84/71/435898471.db2.gz YLQLTHCQPCRLIP-KRWDZBQOSA-N 2 1 310.844 3.439 20 0 DGADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252351 435929787 /nfs/dbraw/zinc/92/97/87/435929787.db2.gz NKFCKKZSDKEXFJ-BPLDGKMQSA-N 2 1 300.368 3.453 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCSCC1 ZINC000665252228 435931412 /nfs/dbraw/zinc/93/14/12/435931412.db2.gz KMYNFIYJOALTPU-BMGDILEWSA-N 2 1 304.503 3.253 20 0 DGADMP CC[N@H+](CCC[NH2+][C@@H]1CCCc2c1cnn2C)C1CCCCC1 ZINC000652237679 435931562 /nfs/dbraw/zinc/93/15/62/435931562.db2.gz ZEOVTCFYPWTEQJ-GOSISDBHSA-N 2 1 318.509 3.432 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCc2c1cnn2C)C1CCCCC1 ZINC000652237679 435931563 /nfs/dbraw/zinc/93/15/63/435931563.db2.gz ZEOVTCFYPWTEQJ-GOSISDBHSA-N 2 1 318.509 3.432 20 0 DGADMP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258891 435932219 /nfs/dbraw/zinc/93/22/19/435932219.db2.gz OHVKZQBZYLHUNR-NXWXRZEISA-N 2 1 320.452 3.066 20 0 DGADMP CC[NH+](CC)CCOc1ccccc1NCc1c[nH+]c(C)n1C ZINC000572900415 435879676 /nfs/dbraw/zinc/87/96/76/435879676.db2.gz DCFLWFZGVVKAKL-UHFFFAOYSA-N 2 1 316.449 3.061 20 0 DGADMP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902181 435880753 /nfs/dbraw/zinc/88/07/53/435880753.db2.gz PIPKUAVDZBFAGO-YJBOKZPZSA-N 2 1 322.880 3.445 20 0 DGADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000572902181 435880759 /nfs/dbraw/zinc/88/07/59/435880759.db2.gz PIPKUAVDZBFAGO-YJBOKZPZSA-N 2 1 322.880 3.445 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCCC(F)(F)F)C1 ZINC000652363728 435958220 /nfs/dbraw/zinc/95/82/20/435958220.db2.gz MFHZJDQPBCKHLX-RDBSUJKOSA-N 2 1 308.388 3.080 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CO1 ZINC000647171867 435959206 /nfs/dbraw/zinc/95/92/06/435959206.db2.gz ZKHFCNDTDHYQFB-FCEWJHQRSA-N 2 1 302.462 3.328 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000647172862 435961376 /nfs/dbraw/zinc/96/13/76/435961376.db2.gz MURNVIGRFBGZPI-INIZCTEOSA-N 2 1 312.461 3.002 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000650707202 435994576 /nfs/dbraw/zinc/99/45/76/435994576.db2.gz ACPYOITXYWUVGS-XLAORIBOSA-N 2 1 308.510 3.421 20 0 DGADMP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CS2 ZINC000647228032 435982048 /nfs/dbraw/zinc/98/20/48/435982048.db2.gz DOYUEACSGQQECY-OWCLPIDISA-N 2 1 318.486 3.146 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707786 435995276 /nfs/dbraw/zinc/99/52/76/435995276.db2.gz NAJXYVLTZPDBIX-JZXOWHBKSA-N 2 1 322.880 3.367 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249175 435992578 /nfs/dbraw/zinc/99/25/78/435992578.db2.gz HCMIGYFYEJGZDE-YSTOQKLRSA-N 2 1 316.489 3.125 20 0 DGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279334 435938346 /nfs/dbraw/zinc/93/83/46/435938346.db2.gz ANGYWAYHRBOUOP-TWMPVWRBSA-N 2 1 322.452 3.321 20 0 DGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347164 435954580 /nfs/dbraw/zinc/95/45/80/435954580.db2.gz UHJOUWIZLIYLJV-HUHSQHJXSA-N 2 1 306.425 3.105 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352389 435956092 /nfs/dbraw/zinc/95/60/92/435956092.db2.gz OTIOYMBFCFWPJM-YOEHRIQHSA-N 2 1 317.458 3.272 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352389 435956096 /nfs/dbraw/zinc/95/60/96/435956096.db2.gz OTIOYMBFCFWPJM-YOEHRIQHSA-N 2 1 317.458 3.272 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348492 435956509 /nfs/dbraw/zinc/95/65/09/435956509.db2.gz GDORNSJQDDXXBM-GDAAHCPNSA-N 2 1 320.452 3.495 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000652348620 435957776 /nfs/dbraw/zinc/95/77/76/435957776.db2.gz KPONLNMZGQBTPY-OPNNQBFTSA-N 2 1 318.436 3.031 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc2n(n1)CCCC2 ZINC000647281841 435998203 /nfs/dbraw/zinc/99/82/03/435998203.db2.gz LOGDRIAKPGQWGT-HNNXBMFYSA-N 2 1 312.461 3.132 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@@H]1CC[NH3+] ZINC000650711057 435998431 /nfs/dbraw/zinc/99/84/31/435998431.db2.gz HIIARVDZFQJFEB-CRAIPNDOSA-N 2 1 310.445 3.093 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)[C@H]1CC[NH3+] ZINC000650712029 435998830 /nfs/dbraw/zinc/99/88/30/435998830.db2.gz NMCOCUVKSXTLJO-CJNGLKHVSA-N 2 1 318.490 3.098 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OC ZINC000650710870 435999400 /nfs/dbraw/zinc/99/94/00/435999400.db2.gz AZHLXBSBDNINPN-ZBFHGGJFSA-N 2 1 306.450 3.043 20 0 DGADMP CCOCc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OC ZINC000650711103 435999548 /nfs/dbraw/zinc/99/95/48/435999548.db2.gz ISQGFHNATVUACY-YJBOKZPZSA-N 2 1 320.477 3.181 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)c(F)c1 ZINC000650718561 436002481 /nfs/dbraw/zinc/00/24/81/436002481.db2.gz RAMVJLVIPJRWST-UHFFFAOYSA-N 2 1 314.404 3.363 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000650722819 436005988 /nfs/dbraw/zinc/00/59/88/436005988.db2.gz BXWXUTXWZNNIBO-OWYHZJEWSA-N 2 1 302.462 3.151 20 0 DGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000650722458 436006585 /nfs/dbraw/zinc/00/65/85/436006585.db2.gz UHDDPCKFSJXDAR-IPMKNSEASA-N 2 1 302.462 3.164 20 0 DGADMP COc1ccc([C@H](CC(C)C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000647300438 436007366 /nfs/dbraw/zinc/00/73/66/436007366.db2.gz QMOAIGJFQPJJJP-SFHVURJKSA-N 2 1 301.434 3.348 20 0 DGADMP CCCCC[N@@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000650741504 436013712 /nfs/dbraw/zinc/01/37/12/436013712.db2.gz FQCIVSLGICIHLD-RBUKOAKNSA-N 2 1 303.494 3.148 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@@H]2CCC[C@H]21 ZINC000650759894 436021467 /nfs/dbraw/zinc/02/14/67/436021467.db2.gz SKFQLKPYEQWDBU-QGZVKYPTSA-N 2 1 313.489 3.266 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cnn(C2CCCC2)c1 ZINC000650755925 436021853 /nfs/dbraw/zinc/02/18/53/436021853.db2.gz PMCRUPZSZSEXPE-CYBMUJFWSA-N 2 1 316.424 3.447 20 0 DGADMP COCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344023 436024496 /nfs/dbraw/zinc/02/44/96/436024496.db2.gz HVKIVHLKBZIGEN-YSTOQKLRSA-N 2 1 316.489 3.127 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000647343992 436024834 /nfs/dbraw/zinc/02/48/34/436024834.db2.gz HHVWMPKKHKJONN-DQLDELGASA-N 2 1 324.468 3.175 20 0 DGADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000647344360 436026035 /nfs/dbraw/zinc/02/60/35/436026035.db2.gz OWEBUQOCKFMRRL-QRQLOZEOSA-N 2 1 316.489 3.269 20 0 DGADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782728 436041833 /nfs/dbraw/zinc/04/18/33/436041833.db2.gz IZZVNHUYEBAIRC-LJQANCHMSA-N 2 1 301.478 3.034 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656785219 436044336 /nfs/dbraw/zinc/04/43/36/436044336.db2.gz KSIVPSQVJQAREU-HNNXBMFYSA-N 2 1 307.507 3.478 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000656786071 436044520 /nfs/dbraw/zinc/04/45/20/436044520.db2.gz VAAJWDYSPPTWFS-UZLBHIALSA-N 2 1 309.457 3.412 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000656786071 436044522 /nfs/dbraw/zinc/04/45/22/436044522.db2.gz VAAJWDYSPPTWFS-UZLBHIALSA-N 2 1 309.457 3.412 20 0 DGADMP c1cn(-c2ccccc2)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656787334 436045179 /nfs/dbraw/zinc/04/51/79/436045179.db2.gz XVMGUBWTNYKGQH-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786729 436045272 /nfs/dbraw/zinc/04/52/72/436045272.db2.gz XBLLLPKAOCRPJZ-LJQANCHMSA-N 2 1 324.472 3.084 20 0 DGADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785560 436045622 /nfs/dbraw/zinc/04/56/22/436045622.db2.gz MEJZHXXOZYLRLT-INIZCTEOSA-N 2 1 324.415 3.500 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656786505 436045829 /nfs/dbraw/zinc/04/58/29/436045829.db2.gz TZCNRATXKDKIMQ-ZDUSSCGKSA-N 2 1 312.379 3.316 20 0 DGADMP COCc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785913 436045983 /nfs/dbraw/zinc/04/59/83/436045983.db2.gz NDNPIBFEDHXJJO-LJQANCHMSA-N 2 1 302.462 3.045 20 0 DGADMP C[N@H+](Cc1ccc(Br)c2cccnc12)CC(C)(C)[NH3+] ZINC000656784955 436046049 /nfs/dbraw/zinc/04/60/49/436046049.db2.gz IFLBKMQIIWEAAB-UHFFFAOYSA-N 2 1 322.250 3.166 20 0 DGADMP C[N@@H+](Cc1ccc(Br)c2cccnc12)CC(C)(C)[NH3+] ZINC000656784955 436046053 /nfs/dbraw/zinc/04/60/53/436046053.db2.gz IFLBKMQIIWEAAB-UHFFFAOYSA-N 2 1 322.250 3.166 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000656792802 436049493 /nfs/dbraw/zinc/04/94/93/436049493.db2.gz XPPQDOISJSBYJQ-TXPKVOOTSA-N 2 1 302.462 3.047 20 0 DGADMP C[C@H](CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708305 435995901 /nfs/dbraw/zinc/99/59/01/435995901.db2.gz XHRPSRIYFVQWGP-GTAWCEEGSA-N 2 1 316.489 3.399 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707290 435996187 /nfs/dbraw/zinc/99/61/87/435996187.db2.gz CIYWKADLSFZFMO-XGXHKWSGSA-N 2 1 302.462 3.008 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccsc3Cl)C2)C1 ZINC000650707953 435996652 /nfs/dbraw/zinc/99/66/52/435996652.db2.gz QKFXCEDGIJOOKJ-IACUBPJLSA-N 2 1 314.882 3.120 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccccc2)n1 ZINC000647479951 436058981 /nfs/dbraw/zinc/05/89/81/436058981.db2.gz YPKKEHVLFSJKGX-MJGOQNOKSA-N 2 1 324.472 3.051 20 0 DGADMP COc1c(C)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000647480613 436059572 /nfs/dbraw/zinc/05/95/72/436059572.db2.gz UWNPSKMDOYMWPZ-ZWKOTPCHSA-N 2 1 302.462 3.276 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480731 436059758 /nfs/dbraw/zinc/05/97/58/436059758.db2.gz YCGWNUNDKFRYAO-DOTOQJQBSA-N 2 1 324.415 3.295 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480183 436060175 /nfs/dbraw/zinc/06/01/75/436060175.db2.gz GBEMAFDVSURUJC-YLJYHZDGSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480183 436060180 /nfs/dbraw/zinc/06/01/80/436060180.db2.gz GBEMAFDVSURUJC-YLJYHZDGSA-N 2 1 324.472 3.145 20 0 DGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480957 436060672 /nfs/dbraw/zinc/06/06/72/436060672.db2.gz HHJHNGDZWVFWFI-WMZOPIPTSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480957 436060678 /nfs/dbraw/zinc/06/06/78/436060678.db2.gz HHJHNGDZWVFWFI-WMZOPIPTSA-N 2 1 302.462 3.438 20 0 DGADMP CC1(C)Cc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)ccc2O1 ZINC000647482467 436063087 /nfs/dbraw/zinc/06/30/87/436063087.db2.gz HNQGOCFWVNIBSF-UHFFFAOYSA-N 2 1 300.446 3.117 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@@H]1[NH3+] ZINC000647498559 436064811 /nfs/dbraw/zinc/06/48/11/436064811.db2.gz KAOKKAYAIAIXKE-ZFWWWQNUSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)CC[C@@H]1[NH3+] ZINC000647498559 436064817 /nfs/dbraw/zinc/06/48/17/436064817.db2.gz KAOKKAYAIAIXKE-ZFWWWQNUSA-N 2 1 312.404 3.464 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647497592 436065610 /nfs/dbraw/zinc/06/56/10/436065610.db2.gz NKWZVBIRVKMIHN-UHFFFAOYSA-N 2 1 302.393 3.185 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498699 436065907 /nfs/dbraw/zinc/06/59/07/436065907.db2.gz NLWWUOJIYXPLOW-SJORKVTESA-N 2 1 320.477 3.289 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498699 436065912 /nfs/dbraw/zinc/06/59/12/436065912.db2.gz NLWWUOJIYXPLOW-SJORKVTESA-N 2 1 320.477 3.289 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cccc1OCC ZINC000647498811 436066077 /nfs/dbraw/zinc/06/60/77/436066077.db2.gz RGLMXRVERAGGJR-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cccc1OCC ZINC000647498811 436066084 /nfs/dbraw/zinc/06/60/84/436066084.db2.gz RGLMXRVERAGGJR-WBVHZDCISA-N 2 1 320.477 3.433 20 0 DGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543693 436077636 /nfs/dbraw/zinc/07/76/36/436077636.db2.gz RDUQHSGRABODNP-AEFFLSMTSA-N 2 1 309.457 3.446 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542950 436078024 /nfs/dbraw/zinc/07/80/24/436078024.db2.gz FDZCEHBWUXYRJP-GJZGRUSLSA-N 2 1 319.518 3.234 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543613 436078461 /nfs/dbraw/zinc/07/84/61/436078461.db2.gz QIGFNZWEMVIDBK-DLBZAZTESA-N 2 1 320.452 3.436 20 0 DGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3C[NH2+]C[C@H](C)C3)s2)cs1 ZINC000647548644 436080774 /nfs/dbraw/zinc/08/07/74/436080774.db2.gz MNKKXRZGDVLHDO-DGCLKSJQSA-N 2 1 321.515 3.310 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2cccc(F)c2)cc1 ZINC000647801214 436124901 /nfs/dbraw/zinc/12/49/01/436124901.db2.gz RLWIFMKDKRWAHG-MOPGFXCFSA-N 2 1 314.404 3.374 20 0 DGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000657307050 436127707 /nfs/dbraw/zinc/12/77/07/436127707.db2.gz HREQGBYRDXPQKC-MRXNPFEDSA-N 2 1 302.462 3.358 20 0 DGADMP COCc1csc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000657312162 436131473 /nfs/dbraw/zinc/13/14/73/436131473.db2.gz DMJGTHKWECKJHF-GASCZTMLSA-N 2 1 310.507 3.352 20 0 DGADMP COCc1csc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000657312162 436131477 /nfs/dbraw/zinc/13/14/77/436131477.db2.gz DMJGTHKWECKJHF-GASCZTMLSA-N 2 1 310.507 3.352 20 0 DGADMP Brc1cccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647874982 436138808 /nfs/dbraw/zinc/13/88/08/436138808.db2.gz OTBSVACLXCMYFK-ZDUSSCGKSA-N 2 1 309.251 3.023 20 0 DGADMP Clc1ccccc1[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884363 436139791 /nfs/dbraw/zinc/13/97/91/436139791.db2.gz HRHYRSGKAWNBBQ-GOSISDBHSA-N 2 1 322.880 3.493 20 0 DGADMP Clc1ccccc1[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884363 436139799 /nfs/dbraw/zinc/13/97/99/436139799.db2.gz HRHYRSGKAWNBBQ-GOSISDBHSA-N 2 1 322.880 3.493 20 0 DGADMP Brc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647878457 436140535 /nfs/dbraw/zinc/14/05/35/436140535.db2.gz JKIOUCWDKSWQCW-IUODEOHRSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647878457 436140540 /nfs/dbraw/zinc/14/05/40/436140540.db2.gz JKIOUCWDKSWQCW-IUODEOHRSA-N 2 1 309.251 3.196 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1F ZINC000661659456 436140947 /nfs/dbraw/zinc/14/09/47/436140947.db2.gz ZBQCMECHWKBFQB-RDJZCZTQSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1F ZINC000661659456 436140953 /nfs/dbraw/zinc/14/09/53/436140953.db2.gz ZBQCMECHWKBFQB-RDJZCZTQSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000661659456 436140958 /nfs/dbraw/zinc/14/09/58/436140958.db2.gz ZBQCMECHWKBFQB-RDJZCZTQSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1F ZINC000661659456 436140965 /nfs/dbraw/zinc/14/09/65/436140965.db2.gz ZBQCMECHWKBFQB-RDJZCZTQSA-N 2 1 306.425 3.456 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000647908229 436145294 /nfs/dbraw/zinc/14/52/94/436145294.db2.gz QKJVLRPSVUETAF-CWRNSKLLSA-N 2 1 312.379 3.307 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647937400 436152219 /nfs/dbraw/zinc/15/22/19/436152219.db2.gz XYABHCFOGFWOPV-ABAIWWIYSA-N 2 1 317.260 3.431 20 0 DGADMP Fc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1OC(F)F ZINC000657295381 436119031 /nfs/dbraw/zinc/11/90/31/436119031.db2.gz ORNKYKCEFWZEOL-UHFFFAOYSA-N 2 1 314.351 3.144 20 0 DGADMP Fc1ccc2c(c1)[C@@H](NCc1cnc3n1CCC3)CCS2 ZINC000657296624 436121240 /nfs/dbraw/zinc/12/12/40/436121240.db2.gz IXOBNDYOKOVJQX-AWEZNQCLSA-N 2 1 303.406 3.295 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000269029093 301004010 /nfs/dbraw/zinc/00/40/10/301004010.db2.gz RGFIYZOEAPOMIM-KGLIPLIRSA-N 2 1 318.440 3.311 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000647963824 436160985 /nfs/dbraw/zinc/16/09/85/436160985.db2.gz CRGRDBZRAYBAPM-HCXYKTFWSA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000647963824 436160991 /nfs/dbraw/zinc/16/09/91/436160991.db2.gz CRGRDBZRAYBAPM-HCXYKTFWSA-N 2 1 308.510 3.124 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000661708136 436161033 /nfs/dbraw/zinc/16/10/33/436161033.db2.gz MEAJSWGKXGRLDH-IBGZPJMESA-N 2 1 313.445 3.025 20 0 DGADMP COc1cccc([C@@]2(C)CC[N@@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000661708136 436161040 /nfs/dbraw/zinc/16/10/40/436161040.db2.gz MEAJSWGKXGRLDH-IBGZPJMESA-N 2 1 313.445 3.025 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000647971529 436163587 /nfs/dbraw/zinc/16/35/87/436163587.db2.gz MORXJNHCBKFBCL-VAMGGRTRSA-N 2 1 318.505 3.079 20 0 DGADMP Clc1cccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647989031 436170223 /nfs/dbraw/zinc/17/02/23/436170223.db2.gz AGPGKIARPSPKKT-SFHVURJKSA-N 2 1 322.880 3.493 20 0 DGADMP Clc1cccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647989031 436170226 /nfs/dbraw/zinc/17/02/26/436170226.db2.gz AGPGKIARPSPKKT-SFHVURJKSA-N 2 1 322.880 3.493 20 0 DGADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000657386732 436173681 /nfs/dbraw/zinc/17/36/81/436173681.db2.gz LBYVDMPDHJKGTQ-UHFFFAOYSA-N 2 1 316.493 3.184 20 0 DGADMP c1coc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)no2)c1 ZINC000647976136 436167571 /nfs/dbraw/zinc/16/75/71/436167571.db2.gz KMETYIZUTIVTCM-HUUCEWRRSA-N 2 1 315.417 3.146 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657397188 436177959 /nfs/dbraw/zinc/17/79/59/436177959.db2.gz SLZKPRFAACMHRV-AWEZNQCLSA-N 2 1 321.428 3.174 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000657387557 436174133 /nfs/dbraw/zinc/17/41/33/436174133.db2.gz WYSJXXYTRNAPDQ-LULLPPNCSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000657387557 436174139 /nfs/dbraw/zinc/17/41/39/436174139.db2.gz WYSJXXYTRNAPDQ-LULLPPNCSA-N 2 1 302.462 3.054 20 0 DGADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000657414353 436186765 /nfs/dbraw/zinc/18/67/65/436186765.db2.gz XUQJQKJVZZNVBG-OAHLLOKOSA-N 2 1 310.507 3.352 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000657430800 436198124 /nfs/dbraw/zinc/19/81/24/436198124.db2.gz RXWYEMAFINQSGZ-WZGPROSRSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429561 436198178 /nfs/dbraw/zinc/19/81/78/436198178.db2.gz KBWVNRYACSLBCW-DOTOQJQBSA-N 2 1 316.493 3.036 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429561 436198184 /nfs/dbraw/zinc/19/81/84/436198184.db2.gz KBWVNRYACSLBCW-DOTOQJQBSA-N 2 1 316.493 3.036 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661866311 436215435 /nfs/dbraw/zinc/21/54/35/436215435.db2.gz XQLOBUROTBTCPO-GOSISDBHSA-N 2 1 305.466 3.253 20 0 DGADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCC2)c(C2CCCCC2)n1 ZINC000666802225 436284214 /nfs/dbraw/zinc/28/42/14/436284214.db2.gz IHOMJBVVFDOWHR-UHFFFAOYSA-N 2 1 304.482 3.219 20 0 DGADMP CCCCC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000662155697 436288223 /nfs/dbraw/zinc/28/82/23/436288223.db2.gz MWFMXVIVAAFPEL-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](O)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000653902902 436294059 /nfs/dbraw/zinc/29/40/59/436294059.db2.gz ADPUFTABVKLIDY-INIZCTEOSA-N 2 1 302.462 3.018 20 0 DGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC/C=C/c1cncc(OC)c1 ZINC000662179400 436294856 /nfs/dbraw/zinc/29/48/56/436294856.db2.gz KQAZZSWCYJRKRD-VQHVLOKHSA-N 2 1 305.466 3.204 20 0 DGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC/C=C/c1cncc(OC)c1 ZINC000662179400 436294861 /nfs/dbraw/zinc/29/48/61/436294861.db2.gz KQAZZSWCYJRKRD-VQHVLOKHSA-N 2 1 305.466 3.204 20 0 DGADMP Clc1sc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000666857676 436295870 /nfs/dbraw/zinc/29/58/70/436295870.db2.gz DXDSMACWONAHKE-MRVPVSSYSA-N 2 1 323.687 3.396 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc1C[NH+]1CCCCC1 ZINC000662029693 436251467 /nfs/dbraw/zinc/25/14/67/436251467.db2.gz JCTJUBXKGDSXRO-PMACEKPBSA-N 2 1 314.473 3.141 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC[NH2+]1 ZINC000666617792 436255781 /nfs/dbraw/zinc/25/57/81/436255781.db2.gz BOCUACTWFQRHRX-BZUAXINKSA-N 2 1 313.445 3.395 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596166 436256582 /nfs/dbraw/zinc/25/65/82/436256582.db2.gz LVRDJLDKEJPZBE-AYOQOUSVSA-N 2 1 316.489 3.168 20 0 DGADMP CC(C)CC1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000662066702 436264345 /nfs/dbraw/zinc/26/43/45/436264345.db2.gz QGCLDNWNIBGOBP-UHFFFAOYSA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@@H](O)CN(C)C1CC1)C(C)C ZINC000662107455 436276220 /nfs/dbraw/zinc/27/62/20/436276220.db2.gz RATGZOPDBGRBOT-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107455 436276222 /nfs/dbraw/zinc/27/62/22/436276222.db2.gz RATGZOPDBGRBOT-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000662107455 436276225 /nfs/dbraw/zinc/27/62/25/436276225.db2.gz RATGZOPDBGRBOT-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000662107455 436276228 /nfs/dbraw/zinc/27/62/28/436276228.db2.gz RATGZOPDBGRBOT-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP CC[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000662107455 436276231 /nfs/dbraw/zinc/27/62/31/436276231.db2.gz RATGZOPDBGRBOT-RBUKOAKNSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769940 436279926 /nfs/dbraw/zinc/27/99/26/436279926.db2.gz IMQJHHSJYSYRPF-DOMZBBRYSA-N 2 1 300.368 3.368 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000657768124 436298186 /nfs/dbraw/zinc/29/81/86/436298186.db2.gz VRWRHGPPXDRNFN-HXUWFJFHSA-N 2 1 316.489 3.446 20 0 DGADMP c1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nsc2c1 ZINC000657770953 436300778 /nfs/dbraw/zinc/30/07/78/436300778.db2.gz VNHUCZBLVKGNOQ-KBPBESRZSA-N 2 1 301.459 3.055 20 0 DGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255914 436313416 /nfs/dbraw/zinc/31/34/16/436313416.db2.gz SMTNWJGTDUQROS-QRQLOZEOSA-N 2 1 314.473 3.289 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)C[C@@H]21 ZINC000662267264 436316929 /nfs/dbraw/zinc/31/69/29/436316929.db2.gz UBAZSUZCAMMGDK-UHOFOFEASA-N 2 1 310.894 3.491 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000666992947 436320443 /nfs/dbraw/zinc/32/04/43/436320443.db2.gz LMNQPHXXNPGPOV-DZGCQCFKSA-N 2 1 323.868 3.097 20 0 DGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280203 436320826 /nfs/dbraw/zinc/32/08/26/436320826.db2.gz YZDZQGZPECZCBH-KBPBESRZSA-N 2 1 323.506 3.089 20 0 DGADMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662274108 436320912 /nfs/dbraw/zinc/32/09/12/436320912.db2.gz DCNPFUGMNHGFFW-CABCVRRESA-N 2 1 308.466 3.239 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000662273903 436320971 /nfs/dbraw/zinc/32/09/71/436320971.db2.gz QPWNXSOSOGTKOB-KGLIPLIRSA-N 2 1 308.853 3.170 20 0 DGADMP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000662275486 436321406 /nfs/dbraw/zinc/32/14/06/436321406.db2.gz DIMMTEVFNMYOKC-UKRRQHHQSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000662275486 436321409 /nfs/dbraw/zinc/32/14/09/436321409.db2.gz DIMMTEVFNMYOKC-UKRRQHHQSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997143 436322330 /nfs/dbraw/zinc/32/23/30/436322330.db2.gz YSYDKYUNYKEMRS-OAHLLOKOSA-N 2 1 304.482 3.019 20 0 DGADMP Fc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(F)F ZINC000666997074 436322825 /nfs/dbraw/zinc/32/28/25/436322825.db2.gz VTAGVEXWKRCHGV-LBPRGKRZSA-N 2 1 314.351 3.191 20 0 DGADMP CCCCc1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291625 436323015 /nfs/dbraw/zinc/32/30/15/436323015.db2.gz VVWXAUMUCRBAHB-ZBFHGGJFSA-N 2 1 320.481 3.185 20 0 DGADMP CC(C)(C)c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)no1 ZINC000662292374 436323160 /nfs/dbraw/zinc/32/31/60/436323160.db2.gz FBRJTBFBOAINMS-HNNXBMFYSA-N 2 1 305.466 3.184 20 0 DGADMP Fc1cc(F)c2c(c1)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662281116 436323722 /nfs/dbraw/zinc/32/37/22/436323722.db2.gz SZSBDHPZYSJFAR-UHFFFAOYSA-N 2 1 314.379 3.169 20 0 DGADMP Fc1cc(F)c2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662281116 436323726 /nfs/dbraw/zinc/32/37/26/436323726.db2.gz SZSBDHPZYSJFAR-UHFFFAOYSA-N 2 1 314.379 3.169 20 0 DGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000662282731 436324012 /nfs/dbraw/zinc/32/40/12/436324012.db2.gz JTOJJAFNEGOLPD-MCIONIFRSA-N 2 1 303.475 3.144 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000657847573 436324583 /nfs/dbraw/zinc/32/45/83/436324583.db2.gz YKOPSYFGXSPJAH-LLVKDONJSA-N 2 1 323.238 3.090 20 0 DGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000657849903 436324645 /nfs/dbraw/zinc/32/46/45/436324645.db2.gz NLXLSJDPSMJFNE-QGZVFWFLSA-N 2 1 324.896 3.362 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296517 436326794 /nfs/dbraw/zinc/32/67/94/436326794.db2.gz LPYHWFXDCKPKTI-IBGZPJMESA-N 2 1 316.489 3.339 20 0 DGADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657858551 436327606 /nfs/dbraw/zinc/32/76/06/436327606.db2.gz HYSOSNABGZLUSR-MOPGFXCFSA-N 2 1 324.472 3.220 20 0 DGADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657858551 436327609 /nfs/dbraw/zinc/32/76/09/436327609.db2.gz HYSOSNABGZLUSR-MOPGFXCFSA-N 2 1 324.472 3.220 20 0 DGADMP CC(C)c1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662325135 436331082 /nfs/dbraw/zinc/33/10/82/436331082.db2.gz CJTAIEUFUYWBFY-IBGZPJMESA-N 2 1 304.478 3.353 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662325135 436331085 /nfs/dbraw/zinc/33/10/85/436331085.db2.gz CJTAIEUFUYWBFY-IBGZPJMESA-N 2 1 304.478 3.353 20 0 DGADMP C[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322936 436331414 /nfs/dbraw/zinc/33/14/14/436331414.db2.gz JPLHZXGSJRPISX-YJBOKZPZSA-N 2 1 324.896 3.486 20 0 DGADMP C[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000662322936 436331415 /nfs/dbraw/zinc/33/14/15/436331415.db2.gz JPLHZXGSJRPISX-YJBOKZPZSA-N 2 1 324.896 3.486 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090207 436372399 /nfs/dbraw/zinc/37/23/99/436372399.db2.gz FMANPDWYNCIKCM-BBRMVZONSA-N 2 1 321.440 3.005 20 0 DGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090207 436372402 /nfs/dbraw/zinc/37/24/02/436372402.db2.gz FMANPDWYNCIKCM-BBRMVZONSA-N 2 1 321.440 3.005 20 0 DGADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000662661946 436377392 /nfs/dbraw/zinc/37/73/92/436377392.db2.gz YGADBXIYVAGGCG-QGZVFWFLSA-N 2 1 317.477 3.388 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1)C(C)C ZINC000662726175 436380762 /nfs/dbraw/zinc/38/07/62/436380762.db2.gz DUYHYOKXTIJCGC-GOSISDBHSA-N 2 1 319.493 3.020 20 0 DGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142649 436387180 /nfs/dbraw/zinc/38/71/80/436387180.db2.gz VYJGGUSONTYZDZ-ACZWYYKOSA-N 2 1 316.489 3.168 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C)C1 ZINC000658208198 436401339 /nfs/dbraw/zinc/40/13/39/436401339.db2.gz YRDTYGLHCYXGEI-GFEQUFNTSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658218561 436402106 /nfs/dbraw/zinc/40/21/06/436402106.db2.gz JDBKXIPWDIKCKJ-LCLWPZTBSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000658249330 436410815 /nfs/dbraw/zinc/41/08/15/436410815.db2.gz AHBGUEAXWSUBCX-DOPJRALCSA-N 2 1 311.429 3.135 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000658222459 436403694 /nfs/dbraw/zinc/40/36/94/436403694.db2.gz XFHXRWIPWGTDQZ-ONCXSQPRSA-N 2 1 316.489 3.444 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]2CCCO[C@H]21 ZINC000658228288 436405023 /nfs/dbraw/zinc/40/50/23/436405023.db2.gz HDPCKVHNWZULOR-VDHUWJSZSA-N 2 1 306.494 3.187 20 0 DGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]2CCCO[C@H]21 ZINC000658228288 436405025 /nfs/dbraw/zinc/40/50/25/436405025.db2.gz HDPCKVHNWZULOR-VDHUWJSZSA-N 2 1 306.494 3.187 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229843 436406237 /nfs/dbraw/zinc/40/62/37/436406237.db2.gz IJRKCPTVXVEAOJ-CNMWIUBYSA-N 2 1 306.494 3.187 20 0 DGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]2C1 ZINC000658229843 436406240 /nfs/dbraw/zinc/40/62/40/436406240.db2.gz IJRKCPTVXVEAOJ-CNMWIUBYSA-N 2 1 306.494 3.187 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000658245931 436409704 /nfs/dbraw/zinc/40/97/04/436409704.db2.gz AYTCQXCPOKQADE-RHSMWYFYSA-N 2 1 313.445 3.240 20 0 DGADMP COc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000658323884 436429335 /nfs/dbraw/zinc/42/93/35/436429335.db2.gz SDUKCAMZYYJPNP-UHFFFAOYSA-N 2 1 300.446 3.291 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCOC3)C3(CCC3)C2)cc1 ZINC000658319959 436430395 /nfs/dbraw/zinc/43/03/95/436430395.db2.gz KMUWLXKSCVFDMI-OALUTQOASA-N 2 1 314.473 3.057 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCOC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658328824 436431334 /nfs/dbraw/zinc/43/13/34/436431334.db2.gz CCXMPEOFQXUPGT-QXAKKESOSA-N 2 1 316.489 3.302 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344505 436442654 /nfs/dbraw/zinc/44/26/54/436442654.db2.gz UOQCPRGUHDOJLW-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344505 436442656 /nfs/dbraw/zinc/44/26/56/436442656.db2.gz UOQCPRGUHDOJLW-HNNXBMFYSA-N 2 1 306.425 3.046 20 0 DGADMP COCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663345570 436442866 /nfs/dbraw/zinc/44/28/66/436442866.db2.gz LDRHRPWYLHOKHB-LJQANCHMSA-N 2 1 302.462 3.045 20 0 DGADMP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c2)c1 ZINC000663345324 436442948 /nfs/dbraw/zinc/44/29/48/436442948.db2.gz IKEBMOJSVKABNB-IBGZPJMESA-N 2 1 324.472 3.084 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663464670 436463296 /nfs/dbraw/zinc/46/32/96/436463296.db2.gz FWUSQMADKYUMSZ-SJLPKXTDSA-N 2 1 308.510 3.436 20 0 DGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464609 436463892 /nfs/dbraw/zinc/46/38/92/436463892.db2.gz DXNABPKKPSKLEY-POAQFYNOSA-N 2 1 316.489 3.474 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663464970 436464222 /nfs/dbraw/zinc/46/42/22/436464222.db2.gz HPOGHRVFIAEMRT-MJGOQNOKSA-N 2 1 313.489 3.041 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663464669 436464295 /nfs/dbraw/zinc/46/42/95/436464295.db2.gz FWUSQMADKYUMSZ-FUHWJXTLSA-N 2 1 308.510 3.436 20 0 DGADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467296 436464481 /nfs/dbraw/zinc/46/44/81/436464481.db2.gz ZZQAZBSVCUKBKA-MSOLQXFVSA-N 2 1 306.494 3.047 20 0 DGADMP CCn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000663467824 436465617 /nfs/dbraw/zinc/46/56/17/436465617.db2.gz ODHCBLAYBNBJNC-WBVHZDCISA-N 2 1 304.482 3.036 20 0 DGADMP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470188 436465875 /nfs/dbraw/zinc/46/58/75/436465875.db2.gz SSXMYOVLFVUPOY-SFHVURJKSA-N 2 1 320.521 3.437 20 0 DGADMP c1ccc([C@H]2CC[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000658263114 436413006 /nfs/dbraw/zinc/41/30/06/436413006.db2.gz IAJMIRJRSVAZJA-XUVXKRRUSA-N 2 1 314.473 3.166 20 0 DGADMP CC[N@@H+](CCNc1[nH+]ccc2[nH]ccc21)CCC(F)(F)F ZINC000663841724 436516774 /nfs/dbraw/zinc/51/67/74/436516774.db2.gz SULUDWPGWFDNCF-UHFFFAOYSA-N 2 1 300.328 3.249 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@@H](C3CC3)[NH+](C)C)c2cc1OC ZINC000663548967 436478258 /nfs/dbraw/zinc/47/82/58/436478258.db2.gz WXCQMGLFAJVAGG-HNNXBMFYSA-N 2 1 315.417 3.004 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000659910191 436557581 /nfs/dbraw/zinc/55/75/81/436557581.db2.gz NYBIHGKZJBHPSE-RBUKOAKNSA-N 2 1 321.553 3.305 20 0 DGADMP Cc1ccc([C@@H]2CCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000659951418 436565396 /nfs/dbraw/zinc/56/53/96/436565396.db2.gz FXOLSNQHUTYOBU-MOPGFXCFSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@@H]2CCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000659951418 436565399 /nfs/dbraw/zinc/56/53/99/436565399.db2.gz FXOLSNQHUTYOBU-MOPGFXCFSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951418 436565402 /nfs/dbraw/zinc/56/54/02/436565402.db2.gz FXOLSNQHUTYOBU-MOPGFXCFSA-N 2 1 304.478 3.223 20 0 DGADMP Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000659951418 436565403 /nfs/dbraw/zinc/56/54/03/436565403.db2.gz FXOLSNQHUTYOBU-MOPGFXCFSA-N 2 1 304.478 3.223 20 0 DGADMP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655686529 436574736 /nfs/dbraw/zinc/57/47/36/436574736.db2.gz KEOQDMGUCHKLSK-UXHICEINSA-N 2 1 316.489 3.269 20 0 DGADMP c1ccc(SCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655690935 436575986 /nfs/dbraw/zinc/57/59/86/436575986.db2.gz QFXUGXBSKQNFOZ-KRWDZBQOSA-N 2 1 320.502 3.012 20 0 DGADMP c1ccc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116436 436590542 /nfs/dbraw/zinc/59/05/42/436590542.db2.gz ZGDQXOHSSGEESV-FOIQADDNSA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cnc2c1 ZINC000660116436 436590544 /nfs/dbraw/zinc/59/05/44/436590544.db2.gz ZGDQXOHSSGEESV-FOIQADDNSA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnc2c1 ZINC000660116436 436590547 /nfs/dbraw/zinc/59/05/47/436590547.db2.gz ZGDQXOHSSGEESV-FOIQADDNSA-N 2 1 322.456 3.079 20 0 DGADMP c1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cnc2c1 ZINC000660116436 436590549 /nfs/dbraw/zinc/59/05/49/436590549.db2.gz ZGDQXOHSSGEESV-FOIQADDNSA-N 2 1 322.456 3.079 20 0 DGADMP C[C@@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220942 436607938 /nfs/dbraw/zinc/60/79/38/436607938.db2.gz NDBWMULAQVLGDN-VQIMIIECSA-N 2 1 309.457 3.269 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256966 436615060 /nfs/dbraw/zinc/61/50/60/436615060.db2.gz OZPRCMYCDWLVPP-PBHICJAKSA-N 2 1 312.461 3.306 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000660308011 436621425 /nfs/dbraw/zinc/62/14/25/436621425.db2.gz XPACPQADFIMQFW-QQXKLLMISA-N 2 1 308.510 3.149 20 0 DGADMP CC[N@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000530218837 313341655 /nfs/dbraw/zinc/34/16/55/313341655.db2.gz NKTQWRPHOQHBOV-ZDUSSCGKSA-N 2 1 301.356 3.064 20 0 DGADMP CC[N@@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000530218837 313341658 /nfs/dbraw/zinc/34/16/58/313341658.db2.gz NKTQWRPHOQHBOV-ZDUSSCGKSA-N 2 1 301.356 3.064 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000530219822 313342542 /nfs/dbraw/zinc/34/25/42/313342542.db2.gz KKSRNPDDETVIKT-NSHDSACASA-N 2 1 312.392 3.316 20 0 DGADMP Cc1cc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2cccnc2)ccc1F ZINC000530460315 313372489 /nfs/dbraw/zinc/37/24/89/313372489.db2.gz KAUBZDHQOLWWQA-LJQANCHMSA-N 2 1 324.403 3.184 20 0 DGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531931905 313502722 /nfs/dbraw/zinc/50/27/22/313502722.db2.gz GDFBEUYJNAUDBG-JYJNAYRXSA-N 2 1 309.523 3.061 20 0 DGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187900 313524734 /nfs/dbraw/zinc/52/47/34/313524734.db2.gz FEXPWPWOAQHVNL-ZACQAIPSSA-N 2 1 321.534 3.205 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000536704246 313781166 /nfs/dbraw/zinc/78/11/66/313781166.db2.gz WGYKWEQUMXOGMY-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP CC[C@@H]1C[C@@H](C)C[NH+]1CC1(C[N@@H+]2C[C@@H](C)C[C@H]2CC)COC1 ZINC000542001467 314052265 /nfs/dbraw/zinc/05/22/65/314052265.db2.gz JXVXQCLUCNEWIE-XMTFNYHQSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1C[C@H](C)C[NH+]1CC1(C[N@@H+]2C[C@H](C)C[C@H]2CC)COC1 ZINC000542001467 314052267 /nfs/dbraw/zinc/05/22/67/314052267.db2.gz JXVXQCLUCNEWIE-XMTFNYHQSA-N 2 1 308.510 3.244 20 0 DGADMP CC[C@@H]1C[C@H](C)C[NH+]1CC1(C[N@H+]2C[C@H](C)C[C@H]2CC)COC1 ZINC000542001467 314052270 /nfs/dbraw/zinc/05/22/70/314052270.db2.gz JXVXQCLUCNEWIE-XMTFNYHQSA-N 2 1 308.510 3.244 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000542518121 314081893 /nfs/dbraw/zinc/08/18/93/314081893.db2.gz NOEFDIZHSRGNBS-LJQANCHMSA-N 2 1 318.505 3.488 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000543014694 314109797 /nfs/dbraw/zinc/10/97/97/314109797.db2.gz IWTAWUBBEHTFNU-QZTJIDSGSA-N 2 1 324.896 3.474 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC(C)CC1 ZINC000543944622 314165350 /nfs/dbraw/zinc/16/53/50/314165350.db2.gz OOPOCLUOMRITFA-CCWWBTDTSA-N 2 1 318.505 3.375 20 0 DGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057519 314170866 /nfs/dbraw/zinc/17/08/66/314170866.db2.gz NCIJMLMCGUBWDN-CABCVRRESA-N 2 1 310.457 3.333 20 0 DGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057519 314170869 /nfs/dbraw/zinc/17/08/69/314170869.db2.gz NCIJMLMCGUBWDN-CABCVRRESA-N 2 1 310.457 3.333 20 0 DGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057521 314170882 /nfs/dbraw/zinc/17/08/82/314170882.db2.gz NCIJMLMCGUBWDN-HUUCEWRRSA-N 2 1 310.457 3.333 20 0 DGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000544057521 314170885 /nfs/dbraw/zinc/17/08/85/314170885.db2.gz NCIJMLMCGUBWDN-HUUCEWRRSA-N 2 1 310.457 3.333 20 0 DGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000556864210 314782657 /nfs/dbraw/zinc/78/26/57/314782657.db2.gz FJKRVWZLAFERPW-OALUTQOASA-N 2 1 302.462 3.043 20 0 DGADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000562578742 315032477 /nfs/dbraw/zinc/03/24/77/315032477.db2.gz VQBGHPAQMBQAFN-UJMXGEILSA-N 2 1 314.473 3.054 20 0 DGADMP Cc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000562925057 315061702 /nfs/dbraw/zinc/06/17/02/315061702.db2.gz QDGBETPJAAYMMW-FQEVSTJZSA-N 2 1 316.489 3.415 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000562959737 315065079 /nfs/dbraw/zinc/06/50/79/315065079.db2.gz OPADOISAAZACGQ-ZWKOTPCHSA-N 2 1 320.440 3.054 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC ZINC000563350403 315104810 /nfs/dbraw/zinc/10/48/10/315104810.db2.gz OIASRZXMHCZRDK-GDBMZVCRSA-N 2 1 306.450 3.186 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC ZINC000563350403 315104813 /nfs/dbraw/zinc/10/48/13/315104813.db2.gz OIASRZXMHCZRDK-GDBMZVCRSA-N 2 1 306.450 3.186 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000563777284 315137034 /nfs/dbraw/zinc/13/70/34/315137034.db2.gz GMUNMRUVUDHXHU-IRXDYDNUSA-N 2 1 323.550 3.308 20 0 DGADMP Cc1cccc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000564794990 315200525 /nfs/dbraw/zinc/20/05/25/315200525.db2.gz DAAVRXHKOQJXKQ-UHFFFAOYSA-N 2 1 324.472 3.345 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(O)CCCC1 ZINC000564793938 315200560 /nfs/dbraw/zinc/20/05/60/315200560.db2.gz ZIMDZRPIASTEGM-DZFIZOCASA-N 2 1 316.489 3.038 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)nc1 ZINC000564973440 315216294 /nfs/dbraw/zinc/21/62/94/315216294.db2.gz AMNDWQIDQPOJNJ-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cccc4ccccc43)C[C@H]21 ZINC000564987655 315217333 /nfs/dbraw/zinc/21/73/33/315217333.db2.gz CBGGRJSEGYYBEE-QXAKKESOSA-N 2 1 310.441 3.278 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncccc2O)CC1 ZINC000565507557 315265936 /nfs/dbraw/zinc/26/59/36/315265936.db2.gz CVKLGMVAYSOPHH-MRXNPFEDSA-N 2 1 317.477 3.264 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000565651933 315277204 /nfs/dbraw/zinc/27/72/04/315277204.db2.gz VFOHDEQYWBRLQJ-GOSISDBHSA-N 2 1 302.462 3.367 20 0 DGADMP C[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000565702871 315281037 /nfs/dbraw/zinc/28/10/37/315281037.db2.gz QTLQTEQJULHRFQ-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000565702870 315281158 /nfs/dbraw/zinc/28/11/58/315281158.db2.gz QTLQTEQJULHRFQ-FXAWDEMLSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000565702873 315281208 /nfs/dbraw/zinc/28/12/08/315281208.db2.gz QTLQTEQJULHRFQ-YLJYHZDGSA-N 2 1 316.489 3.265 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOCC3CC3)C2)s1 ZINC000566013379 315304715 /nfs/dbraw/zinc/30/47/15/315304715.db2.gz NYVCNPSLFUYTLN-KRWDZBQOSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOCC3CC3)C2)s1 ZINC000566013379 315304718 /nfs/dbraw/zinc/30/47/18/315304718.db2.gz NYVCNPSLFUYTLN-KRWDZBQOSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOCC3CC3)C2)s1 ZINC000566013379 315304723 /nfs/dbraw/zinc/30/47/23/315304723.db2.gz NYVCNPSLFUYTLN-KRWDZBQOSA-N 2 1 322.518 3.237 20 0 DGADMP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000566221520 315323232 /nfs/dbraw/zinc/32/32/32/315323232.db2.gz SNAAEVGQDLBQBY-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000566221520 315323235 /nfs/dbraw/zinc/32/32/35/315323235.db2.gz SNAAEVGQDLBQBY-QZTJIDSGSA-N 2 1 302.462 3.228 20 0 DGADMP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)c1 ZINC000566678496 315366895 /nfs/dbraw/zinc/36/68/95/315366895.db2.gz FIQBIOVAELEEQJ-SJORKVTESA-N 2 1 300.446 3.049 20 0 DGADMP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)c1 ZINC000566678496 315366898 /nfs/dbraw/zinc/36/68/98/315366898.db2.gz FIQBIOVAELEEQJ-SJORKVTESA-N 2 1 300.446 3.049 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000566941257 315384972 /nfs/dbraw/zinc/38/49/72/315384972.db2.gz OXALBCAXYHMIFL-ZDUSSCGKSA-N 2 1 305.809 3.072 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000567516923 315427616 /nfs/dbraw/zinc/42/76/16/315427616.db2.gz NBBWFPDPNBRLJV-UHFFFAOYSA-N 2 1 315.436 3.447 20 0 DGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCc1c[nH+]cn1C ZINC000573980214 315920146 /nfs/dbraw/zinc/92/01/46/315920146.db2.gz ZHKSATBMZKFBNF-GOSISDBHSA-N 2 1 303.425 3.349 20 0 DGADMP OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000576695385 316157228 /nfs/dbraw/zinc/15/72/28/316157228.db2.gz NIWQLJODVHDOQU-FHWLQOOXSA-N 2 1 302.462 3.011 20 0 DGADMP C[NH+](C)C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC000577946506 316286465 /nfs/dbraw/zinc/28/64/65/316286465.db2.gz XYLKLRGJSNLJOV-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CC3 ZINC000180507255 323231560 /nfs/dbraw/zinc/23/15/60/323231560.db2.gz PBWJGPCLNGPZST-HOTGVXAUSA-N 2 1 311.473 3.265 20 0 DGADMP CC[C@@H](c1ccccc1OC)[N@H+](C)CCCc1c[nH+]cn1C ZINC000581377813 324112134 /nfs/dbraw/zinc/11/21/34/324112134.db2.gz PRJLUWMVOCTAIN-KRWDZBQOSA-N 2 1 301.434 3.444 20 0 DGADMP CC[C@@H](c1ccccc1OC)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000581377813 324112136 /nfs/dbraw/zinc/11/21/36/324112136.db2.gz PRJLUWMVOCTAIN-KRWDZBQOSA-N 2 1 301.434 3.444 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@@H](c2nccn2C)C1)OCc1ccccc1 ZINC000581496493 324123545 /nfs/dbraw/zinc/12/35/45/324123545.db2.gz KCJFCJFRQWPTQW-FUHWJXTLSA-N 2 1 313.445 3.205 20 0 DGADMP COCCC[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041642 324181688 /nfs/dbraw/zinc/18/16/88/324181688.db2.gz QXTUKURGNXNKEW-MAUKXSAKSA-N 2 1 308.441 3.225 20 0 DGADMP COCCC[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041642 324181693 /nfs/dbraw/zinc/18/16/93/324181693.db2.gz QXTUKURGNXNKEW-MAUKXSAKSA-N 2 1 308.441 3.225 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000582062563 324184795 /nfs/dbraw/zinc/18/47/95/324184795.db2.gz OUJASCANYCZHOS-QWHCGFSZSA-N 2 1 300.368 3.480 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117394 324191059 /nfs/dbraw/zinc/19/10/59/324191059.db2.gz OTYASSMVNWFWIB-UWWQBHOKSA-N 2 1 322.880 3.021 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000582117394 324191064 /nfs/dbraw/zinc/19/10/64/324191064.db2.gz OTYASSMVNWFWIB-UWWQBHOKSA-N 2 1 322.880 3.021 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c2ccccn21 ZINC000582670660 324260357 /nfs/dbraw/zinc/26/03/57/324260357.db2.gz ICOPOLGNIKEAAV-JKSUJKDBSA-N 2 1 312.461 3.126 20 0 DGADMP CC(C)c1[nH+]c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c2ccccn21 ZINC000582670660 324260360 /nfs/dbraw/zinc/26/03/60/324260360.db2.gz ICOPOLGNIKEAAV-JKSUJKDBSA-N 2 1 312.461 3.126 20 0 DGADMP CCC(C)(C)C1CCC([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000582855988 324284213 /nfs/dbraw/zinc/28/42/13/324284213.db2.gz HVBHYEBCIXEILP-UHFFFAOYSA-N 2 1 310.526 3.418 20 0 DGADMP COc1cccc2c1CCC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000583011656 324302446 /nfs/dbraw/zinc/30/24/46/324302446.db2.gz BBUXHXTUQONEOK-YJBOKZPZSA-N 2 1 302.462 3.394 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000583467641 324356976 /nfs/dbraw/zinc/35/69/76/324356976.db2.gz LDWLKBBSGKVPDR-NVXWUHKLSA-N 2 1 322.468 3.333 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000583509935 324363751 /nfs/dbraw/zinc/36/37/51/324363751.db2.gz BGNQQUCWYYYGKX-IAGOWNOFSA-N 2 1 310.526 3.418 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665342 337380091 /nfs/dbraw/zinc/38/00/91/337380091.db2.gz JAZWGVBEBUOTGG-LHDHZVESSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665342 337380092 /nfs/dbraw/zinc/38/00/92/337380092.db2.gz JAZWGVBEBUOTGG-LHDHZVESSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665342 337380093 /nfs/dbraw/zinc/38/00/93/337380093.db2.gz JAZWGVBEBUOTGG-LHDHZVESSA-N 3 1 315.505 3.003 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000317086434 533785713 /nfs/dbraw/zinc/78/57/13/533785713.db2.gz CXWZSCFMXNLIIS-CYBMUJFWSA-N 2 1 316.392 3.102 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCCO2 ZINC000294711930 533814426 /nfs/dbraw/zinc/81/44/26/533814426.db2.gz BWLMUJRTJPANOA-LNRIEFBSSA-N 2 1 316.445 3.124 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763284 533844389 /nfs/dbraw/zinc/84/43/89/533844389.db2.gz INXRDAUVRVNKPK-MDZRGWNJSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000442763284 533844400 /nfs/dbraw/zinc/84/44/00/533844400.db2.gz INXRDAUVRVNKPK-MDZRGWNJSA-N 2 1 323.440 3.036 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@H+]1C ZINC000344683971 533953168 /nfs/dbraw/zinc/95/31/68/533953168.db2.gz PICLITWHPXCARQ-MLGOLLRUSA-N 2 1 303.837 3.461 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067829 533963751 /nfs/dbraw/zinc/96/37/51/533963751.db2.gz PYHLANZSZOCYKZ-NSISKUIASA-N 2 1 315.505 3.147 20 0 DGADMP C[C@H](CCO)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000297321104 533964136 /nfs/dbraw/zinc/96/41/36/533964136.db2.gz NIOOYMSUIFSXEG-FFGOWVMKSA-N 2 1 316.489 3.180 20 0 DGADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415086756 533992708 /nfs/dbraw/zinc/99/27/08/533992708.db2.gz KEQDWEUTKRECTK-FRRDWIJNSA-N 2 1 310.413 3.024 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415129829 534038723 /nfs/dbraw/zinc/03/87/23/534038723.db2.gz PUVHISIAJQWASE-PWSUYJOCSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415129829 534038724 /nfs/dbraw/zinc/03/87/24/534038724.db2.gz PUVHISIAJQWASE-PWSUYJOCSA-N 2 1 318.795 3.358 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442720147 534082097 /nfs/dbraw/zinc/08/20/97/534082097.db2.gz SJFXZPCESUMGLS-PMPSAXMXSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442720147 534082106 /nfs/dbraw/zinc/08/21/06/534082106.db2.gz SJFXZPCESUMGLS-PMPSAXMXSA-N 2 1 311.473 3.345 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000434757297 534146779 /nfs/dbraw/zinc/14/67/79/534146779.db2.gz FZZYBQFFMALSIO-KPFFTGBYSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000434757297 534146785 /nfs/dbraw/zinc/14/67/85/534146785.db2.gz FZZYBQFFMALSIO-KPFFTGBYSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781925 534366616 /nfs/dbraw/zinc/36/66/16/534366616.db2.gz OYURANIOECNBST-DGCLKSJQSA-N 2 1 319.836 3.473 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781925 534366621 /nfs/dbraw/zinc/36/66/21/534366621.db2.gz OYURANIOECNBST-DGCLKSJQSA-N 2 1 319.836 3.473 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000415003612 534424504 /nfs/dbraw/zinc/42/45/04/534424504.db2.gz NJBKGCCWPBRSJQ-CYBMUJFWSA-N 2 1 323.412 3.145 20 0 DGADMP Fc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882350 534524486 /nfs/dbraw/zinc/52/44/86/534524486.db2.gz SJZJHCNRKPJKSI-INIZCTEOSA-N 2 1 306.425 3.012 20 0 DGADMP Fc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882350 534524497 /nfs/dbraw/zinc/52/44/97/534524497.db2.gz SJZJHCNRKPJKSI-INIZCTEOSA-N 2 1 306.425 3.012 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000154457728 521679873 /nfs/dbraw/zinc/67/98/73/521679873.db2.gz WYKUUZLZNQYDAY-INIZCTEOSA-N 2 1 323.550 3.433 20 0 DGADMP [NH3+]CCC[N@@H+](CCOc1ccccc1F)Cc1ccccc1 ZINC000309771377 534608959 /nfs/dbraw/zinc/60/89/59/534608959.db2.gz RGYBYMGNUONZDY-UHFFFAOYSA-N 2 1 302.393 3.056 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428042877 534630676 /nfs/dbraw/zinc/63/06/76/534630676.db2.gz DRLNFCSVMFUVFA-XHDPSFHLSA-N 2 1 315.244 3.056 20 0 DGADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428042877 534630679 /nfs/dbraw/zinc/63/06/79/534630679.db2.gz DRLNFCSVMFUVFA-XHDPSFHLSA-N 2 1 315.244 3.056 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764727 534643489 /nfs/dbraw/zinc/64/34/89/534643489.db2.gz DFWZVJHRGMCUNF-JYJNAYRXSA-N 2 1 317.477 3.115 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764727 534643495 /nfs/dbraw/zinc/64/34/95/534643495.db2.gz DFWZVJHRGMCUNF-JYJNAYRXSA-N 2 1 317.477 3.115 20 0 DGADMP Cc1[nH+]c2ccccc2c(NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000302094581 534670699 /nfs/dbraw/zinc/67/06/99/534670699.db2.gz RHHBWGFDBCIJKS-UHFFFAOYSA-N 2 1 313.445 3.374 20 0 DGADMP Cc1[nH+]c2ccccc2c(NC[C@H]2C[N@@H+](C3CC3)CCO2)c1C ZINC000302111724 534671045 /nfs/dbraw/zinc/67/10/45/534671045.db2.gz ZZBNMQBTJKJBTA-INIZCTEOSA-N 2 1 311.429 3.127 20 0 DGADMP Cc1[nH+]c2ccccc2c(NC[C@H]2C[N@H+](C3CC3)CCO2)c1C ZINC000302111724 534671051 /nfs/dbraw/zinc/67/10/51/534671051.db2.gz ZZBNMQBTJKJBTA-INIZCTEOSA-N 2 1 311.429 3.127 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC000415062681 534677236 /nfs/dbraw/zinc/67/72/36/534677236.db2.gz FSNNHRUGOQTBRB-MRXNPFEDSA-N 2 1 301.459 3.417 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)C1CCCC1 ZINC000415032380 534678323 /nfs/dbraw/zinc/67/83/23/534678323.db2.gz AGTXOHOKSFJYDK-CQSZACIVSA-N 2 1 315.230 3.195 20 0 DGADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423095207 527677325 /nfs/dbraw/zinc/67/73/25/527677325.db2.gz LQFDGBROTVKJLY-KZNAEPCWSA-N 2 1 304.478 3.257 20 0 DGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442887858 527810517 /nfs/dbraw/zinc/81/05/17/527810517.db2.gz BYTWRFHGINWYRW-KZNAEPCWSA-N 2 1 309.542 3.063 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000430584289 527943360 /nfs/dbraw/zinc/94/33/60/527943360.db2.gz OVBFSSHPQSXZRL-HNNXBMFYSA-N 2 1 318.383 3.437 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccccc1 ZINC000298120742 528214141 /nfs/dbraw/zinc/21/41/41/528214141.db2.gz PHJJPSIVCNQDOF-RBUKOAKNSA-N 2 1 302.462 3.105 20 0 DGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000435371182 528232900 /nfs/dbraw/zinc/23/29/00/528232900.db2.gz LPWIEOGETYNGNE-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000435371182 528232904 /nfs/dbraw/zinc/23/29/04/528232904.db2.gz LPWIEOGETYNGNE-NVXWUHKLSA-N 2 1 320.477 3.433 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000430579218 528290435 /nfs/dbraw/zinc/29/04/35/528290435.db2.gz BUSQCXSOJLCEHX-UHFFFAOYSA-N 2 1 318.440 3.017 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])c2C1 ZINC000295597198 528329038 /nfs/dbraw/zinc/32/90/38/528329038.db2.gz COXVEKBSAXAPER-RHSMWYFYSA-N 2 1 315.461 3.258 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])c2C1 ZINC000295597198 528329043 /nfs/dbraw/zinc/32/90/43/528329043.db2.gz COXVEKBSAXAPER-RHSMWYFYSA-N 2 1 315.461 3.258 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1)CC1CC1 ZINC000414736385 528431106 /nfs/dbraw/zinc/43/11/06/528431106.db2.gz GPKMNMIVJFMHAN-FXAWDEMLSA-N 3 1 321.553 3.209 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1OCC ZINC000415137757 528613018 /nfs/dbraw/zinc/61/30/18/528613018.db2.gz YKABMNMAVAAPEH-DOTOQJQBSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1OCC ZINC000415137757 528613020 /nfs/dbraw/zinc/61/30/20/528613020.db2.gz YKABMNMAVAAPEH-DOTOQJQBSA-N 2 1 320.477 3.291 20 0 DGADMP CCCOc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435386925 528624919 /nfs/dbraw/zinc/62/49/19/528624919.db2.gz WGEFABOEOMDHBE-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CCCc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442874011 528628722 /nfs/dbraw/zinc/62/87/22/528628722.db2.gz LLBQXUQHDJDJIV-QGZVFWFLSA-N 2 1 317.521 3.316 20 0 DGADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415080352 528646217 /nfs/dbraw/zinc/64/62/17/528646217.db2.gz JKOXRSHJQLUOIH-ROUUACIJSA-N 2 1 304.478 3.258 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415102598 528653814 /nfs/dbraw/zinc/65/38/14/528653814.db2.gz CMUYAKZWCCGILS-WBVHZDCISA-N 2 1 320.477 3.291 20 0 DGADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435435849 528672118 /nfs/dbraw/zinc/67/21/18/528672118.db2.gz CNDQPHLUPRKGFC-KRWDZBQOSA-N 2 1 320.477 3.448 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000317193639 529046239 /nfs/dbraw/zinc/04/62/39/529046239.db2.gz KNUWVYNLFSYLAJ-CYBMUJFWSA-N 2 1 322.478 3.036 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778888 529202500 /nfs/dbraw/zinc/20/25/00/529202500.db2.gz KNTAMIXDDPZUMK-CVEARBPZSA-N 2 1 311.473 3.489 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442778888 529202502 /nfs/dbraw/zinc/20/25/02/529202502.db2.gz KNTAMIXDDPZUMK-CVEARBPZSA-N 2 1 311.473 3.489 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000470015043 535494790 /nfs/dbraw/zinc/49/47/90/535494790.db2.gz JQNUIOPJCIXVGP-CVEARBPZSA-N 2 1 321.484 3.349 20 0 DGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000470015043 535494800 /nfs/dbraw/zinc/49/48/00/535494800.db2.gz JQNUIOPJCIXVGP-CVEARBPZSA-N 2 1 321.484 3.349 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000449233541 535921051 /nfs/dbraw/zinc/92/10/51/535921051.db2.gz MALCBIDWAMYUMT-UXHICEINSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000449232700 535921098 /nfs/dbraw/zinc/92/10/98/535921098.db2.gz IWZUPXZRSBHSER-PMACEKPBSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449636103 536011463 /nfs/dbraw/zinc/01/14/63/536011463.db2.gz CVZQKZYHPKOBHM-OBKDMQGPSA-N 2 1 316.489 3.036 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CSc3ccccc32)s1 ZINC000449356928 536056541 /nfs/dbraw/zinc/05/65/41/536056541.db2.gz CVMHZRGGQBWGGF-GFCCVEGCSA-N 2 1 319.499 3.184 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CSc3ccccc32)s1 ZINC000449356929 536058015 /nfs/dbraw/zinc/05/80/15/536058015.db2.gz CVMHZRGGQBWGGF-LBPRGKRZSA-N 2 1 319.499 3.184 20 0 DGADMP CCc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470965177 536169808 /nfs/dbraw/zinc/16/98/08/536169808.db2.gz BHXHFCYVHIMKGG-HXUWFJFHSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccc(CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470965177 536169812 /nfs/dbraw/zinc/16/98/12/536169812.db2.gz BHXHFCYVHIMKGG-HXUWFJFHSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccc(CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470965177 536169816 /nfs/dbraw/zinc/16/98/16/536169816.db2.gz BHXHFCYVHIMKGG-HXUWFJFHSA-N 2 1 300.490 3.455 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000044532530 545679039 /nfs/dbraw/zinc/67/90/39/545679039.db2.gz JMJJSWUNXFPDPL-BLLLJJGKSA-N 2 1 323.278 3.368 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc4c[nH]nc43)C2)[nH+]1 ZINC000092813159 545850615 /nfs/dbraw/zinc/85/06/15/545850615.db2.gz WPOPSRZDQPYQOU-HNNXBMFYSA-N 2 1 321.428 3.200 20 0 DGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc4c[nH]nc43)C2)[nH+]1 ZINC000092813159 545850621 /nfs/dbraw/zinc/85/06/21/545850621.db2.gz WPOPSRZDQPYQOU-HNNXBMFYSA-N 2 1 321.428 3.200 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000124513874 545912418 /nfs/dbraw/zinc/91/24/18/545912418.db2.gz QYGQKXRHJJWMED-KGLIPLIRSA-N 2 1 314.433 3.118 20 0 DGADMP Cc1nc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cs1 ZINC000126566703 545922683 /nfs/dbraw/zinc/92/26/83/545922683.db2.gz QLHABOGFCAWXJX-ZDUSSCGKSA-N 2 1 319.474 3.243 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132341791 545963061 /nfs/dbraw/zinc/96/30/61/545963061.db2.gz RRZPZFCTCLBRBY-LPHOPBHVSA-N 2 1 309.542 3.207 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132342102 545963178 /nfs/dbraw/zinc/96/31/78/545963178.db2.gz RRZPZFCTCLBRBY-APWZRJJASA-N 2 1 309.542 3.207 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000134120744 545970729 /nfs/dbraw/zinc/97/07/29/545970729.db2.gz XEQOKRWLQZSXKJ-ZACQAIPSSA-N 2 1 309.542 3.063 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000161601961 546071373 /nfs/dbraw/zinc/07/13/73/546071373.db2.gz CCAGVRSWPQUMFK-PXNSSMCTSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)cc1 ZINC000161620897 546071558 /nfs/dbraw/zinc/07/15/58/546071558.db2.gz SIIIPRYVUGVLLH-KVSKMBFKSA-N 2 1 310.445 3.150 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000163538122 546083806 /nfs/dbraw/zinc/08/38/06/546083806.db2.gz VQXVQLQZNCWOLY-UHFFFAOYSA-N 3 1 317.521 3.492 20 0 DGADMP C[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166756639 546095550 /nfs/dbraw/zinc/09/55/50/546095550.db2.gz BBNGASRUZVIMFT-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000166756639 546095557 /nfs/dbraw/zinc/09/55/57/546095557.db2.gz BBNGASRUZVIMFT-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000166756639 546095561 /nfs/dbraw/zinc/09/55/61/546095561.db2.gz BBNGASRUZVIMFT-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166756639 546095567 /nfs/dbraw/zinc/09/55/67/546095567.db2.gz BBNGASRUZVIMFT-MISYRCLQSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166756639 546095573 /nfs/dbraw/zinc/09/55/73/546095573.db2.gz BBNGASRUZVIMFT-MISYRCLQSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000166756639 546095579 /nfs/dbraw/zinc/09/55/79/546095579.db2.gz BBNGASRUZVIMFT-MISYRCLQSA-N 3 1 315.505 3.113 20 0 DGADMP C[C@H](CC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000166756639 546095583 /nfs/dbraw/zinc/09/55/83/546095583.db2.gz BBNGASRUZVIMFT-MISYRCLQSA-N 3 1 315.505 3.113 20 0 DGADMP Fc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166628035 546096022 /nfs/dbraw/zinc/09/60/22/546096022.db2.gz UHFAIFXKUJZPTI-ZIFCJYIRSA-N 2 1 317.452 3.011 20 0 DGADMP Cc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nc(C)[nH+]1 ZINC000189537001 546212772 /nfs/dbraw/zinc/21/27/72/546212772.db2.gz HUUOUMFKFXGVLU-CQSZACIVSA-N 2 1 311.433 3.126 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235146122 546278967 /nfs/dbraw/zinc/27/89/67/546278967.db2.gz SXCNHRGOQLOUHI-SWLSCSKDSA-N 2 1 311.267 3.112 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237237847 546284716 /nfs/dbraw/zinc/28/47/16/546284716.db2.gz XLVQFIIHTMLVSV-MOPGFXCFSA-N 2 1 302.462 3.198 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000280095466 546379947 /nfs/dbraw/zinc/37/99/47/546379947.db2.gz MSJOYYCMIZERLJ-INIZCTEOSA-N 2 1 306.450 3.013 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280293856 546381734 /nfs/dbraw/zinc/38/17/34/546381734.db2.gz ZKCDGTFSGNMZKO-WMLDXEAASA-N 2 1 318.461 3.013 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176527 546385933 /nfs/dbraw/zinc/38/59/33/546385933.db2.gz IHIWDEISSVGYRC-CVEARBPZSA-N 2 1 310.445 3.007 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccnn1-c1ccccc1 ZINC000281176527 546385936 /nfs/dbraw/zinc/38/59/36/546385936.db2.gz IHIWDEISSVGYRC-CVEARBPZSA-N 2 1 310.445 3.007 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312139 546386188 /nfs/dbraw/zinc/38/61/88/546386188.db2.gz RVLDRSQWIGFMKX-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000281312139 546386190 /nfs/dbraw/zinc/38/61/90/546386190.db2.gz RVLDRSQWIGFMKX-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP Cc1cnccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294748653 546424356 /nfs/dbraw/zinc/42/43/56/546424356.db2.gz IANBENQPHIWPBD-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cnccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294748653 546424358 /nfs/dbraw/zinc/42/43/58/546424358.db2.gz IANBENQPHIWPBD-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cnccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294748653 546424361 /nfs/dbraw/zinc/42/43/61/546424361.db2.gz IANBENQPHIWPBD-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP Cc1cnccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294748653 546424365 /nfs/dbraw/zinc/42/43/65/546424365.db2.gz IANBENQPHIWPBD-IBGZPJMESA-N 2 1 309.457 3.344 20 0 DGADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000308390948 546450297 /nfs/dbraw/zinc/45/02/97/546450297.db2.gz JVMGNCRNWIATOW-MOPGFXCFSA-N 2 1 314.473 3.198 20 0 DGADMP CCN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C)c1 ZINC000339065780 546531464 /nfs/dbraw/zinc/53/14/64/546531464.db2.gz HCFICCPIPMDHMF-MJGOQNOKSA-N 2 1 301.478 3.038 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000339075611 546533131 /nfs/dbraw/zinc/53/31/31/546533131.db2.gz QHEALNGFDBBTAQ-FGTMMUONSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000339075611 546533139 /nfs/dbraw/zinc/53/31/39/546533139.db2.gz QHEALNGFDBBTAQ-FGTMMUONSA-N 2 1 321.534 3.347 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000339075611 546533141 /nfs/dbraw/zinc/53/31/41/546533141.db2.gz QHEALNGFDBBTAQ-FGTMMUONSA-N 2 1 321.534 3.347 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)c2)CCO1 ZINC000348112226 546586354 /nfs/dbraw/zinc/58/63/54/546586354.db2.gz WKHDPIBNOCFFCV-YSGRDPCXSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)c2)CCO1 ZINC000348112226 546586358 /nfs/dbraw/zinc/58/63/58/546586358.db2.gz WKHDPIBNOCFFCV-YSGRDPCXSA-N 2 1 314.473 3.186 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000348102809 546586619 /nfs/dbraw/zinc/58/66/19/546586619.db2.gz AASCHIIUADUDQH-AABGKKOBSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000348102809 546586623 /nfs/dbraw/zinc/58/66/23/546586623.db2.gz AASCHIIUADUDQH-AABGKKOBSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000348102811 546586720 /nfs/dbraw/zinc/58/67/20/546586720.db2.gz AASCHIIUADUDQH-SLFFLAALSA-N 2 1 316.489 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000348102811 546586723 /nfs/dbraw/zinc/58/67/23/546586723.db2.gz AASCHIIUADUDQH-SLFFLAALSA-N 2 1 316.489 3.474 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383922355 546741793 /nfs/dbraw/zinc/74/17/93/546741793.db2.gz RCNJTDDHZIEIBQ-DYESRHJHSA-N 2 1 324.468 3.179 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)cc1)C2 ZINC000385283721 546743842 /nfs/dbraw/zinc/74/38/42/546743842.db2.gz LZXRTWARPPOBHK-ZFWWWQNUSA-N 2 1 309.251 3.010 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Br)cc1)C2 ZINC000385283721 546743849 /nfs/dbraw/zinc/74/38/49/546743849.db2.gz LZXRTWARPPOBHK-ZFWWWQNUSA-N 2 1 309.251 3.010 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccncn1 ZINC000395806498 546761508 /nfs/dbraw/zinc/76/15/08/546761508.db2.gz CMQROJJTJHOTBL-ZNWBIBPKSA-N 2 1 322.456 3.038 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccncn1 ZINC000395806498 546761518 /nfs/dbraw/zinc/76/15/18/546761518.db2.gz CMQROJJTJHOTBL-ZNWBIBPKSA-N 2 1 322.456 3.038 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000396845607 546762203 /nfs/dbraw/zinc/76/22/03/546762203.db2.gz GPGYSDHKYKEPQO-CADBVGFASA-N 2 1 314.473 3.054 20 0 DGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414934701 546791348 /nfs/dbraw/zinc/79/13/48/546791348.db2.gz YCWBNFIOKKJVRA-UONOGXRCSA-N 2 1 305.422 3.309 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000414933144 546791443 /nfs/dbraw/zinc/79/14/43/546791443.db2.gz WSJXEJZZRPTEIH-BDAKNGLRSA-N 2 1 319.193 3.087 20 0 DGADMP c1nc(C2CC2)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)s1 ZINC000435043349 546821440 /nfs/dbraw/zinc/82/14/40/546821440.db2.gz BBPIHGWKXNTVLL-CQSZACIVSA-N 2 1 301.415 3.069 20 0 DGADMP c1nc(C2CC2)c(CN2CC[C@@H](Oc3ccncc3)C2)s1 ZINC000435043349 546821442 /nfs/dbraw/zinc/82/14/42/546821442.db2.gz BBPIHGWKXNTVLL-CQSZACIVSA-N 2 1 301.415 3.069 20 0 DGADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C)n1 ZINC000436433557 546823258 /nfs/dbraw/zinc/82/32/58/546823258.db2.gz PRAJITSLVCRLNC-LJQANCHMSA-N 2 1 324.472 3.442 20 0 DGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)[nH+]c(C)n1 ZINC000436433557 546823265 /nfs/dbraw/zinc/82/32/65/546823265.db2.gz PRAJITSLVCRLNC-LJQANCHMSA-N 2 1 324.472 3.442 20 0 DGADMP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000443447132 546834247 /nfs/dbraw/zinc/83/42/47/546834247.db2.gz ODADFOLXBUQLNV-NSHDSACASA-N 2 1 309.335 3.394 20 0 DGADMP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000443447132 546834252 /nfs/dbraw/zinc/83/42/52/546834252.db2.gz ODADFOLXBUQLNV-NSHDSACASA-N 2 1 309.335 3.394 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667819063 547311908 /nfs/dbraw/zinc/31/19/08/547311908.db2.gz KZXMICKCIVTOOB-RLLQIKCJSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667887093 547327355 /nfs/dbraw/zinc/32/73/55/547327355.db2.gz HBTCDBMDJXELJG-TTYHFUOFSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667887093 547327358 /nfs/dbraw/zinc/32/73/58/547327358.db2.gz HBTCDBMDJXELJG-TTYHFUOFSA-N 2 1 314.473 3.054 20 0 DGADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cnc3n2CCC3)c1 ZINC000667969543 547350952 /nfs/dbraw/zinc/35/09/52/547350952.db2.gz MYLOSXOZGDIYJD-KBXCAEBGSA-N 2 1 311.429 3.421 20 0 DGADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1(c2ccccc2)CC1 ZINC000668028164 547364336 /nfs/dbraw/zinc/36/43/36/547364336.db2.gz ZRVSBKRYJCUYRK-UHFFFAOYSA-N 2 1 318.424 3.431 20 0 DGADMP F[C@@]1(c2ccccc2)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000668109918 547387237 /nfs/dbraw/zinc/38/72/37/547387237.db2.gz QUQOICIEVHWAKM-IBGZPJMESA-N 2 1 322.387 3.338 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172206 547403052 /nfs/dbraw/zinc/40/30/52/547403052.db2.gz HSSDCJXPAFZMBF-PBHICJAKSA-N 2 1 318.436 3.283 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172206 547403056 /nfs/dbraw/zinc/40/30/56/547403056.db2.gz HSSDCJXPAFZMBF-PBHICJAKSA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172206 547403060 /nfs/dbraw/zinc/40/30/60/547403060.db2.gz HSSDCJXPAFZMBF-PBHICJAKSA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172206 547403063 /nfs/dbraw/zinc/40/30/63/547403063.db2.gz HSSDCJXPAFZMBF-PBHICJAKSA-N 2 1 318.436 3.283 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000668490343 547467791 /nfs/dbraw/zinc/46/77/91/547467791.db2.gz VBFKTRJCHJBYMY-VQIMIIECSA-N 2 1 304.478 3.025 20 0 DGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000668690035 547509585 /nfs/dbraw/zinc/50/95/85/547509585.db2.gz JMAZIKOVCTYNEK-QGZVFWFLSA-N 2 1 306.413 3.045 20 0 DGADMP C[C@H](CC1CCCCC1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668738198 547526084 /nfs/dbraw/zinc/52/60/84/547526084.db2.gz CCGPLHFFZHAJTE-APWZRJJASA-N 2 1 308.510 3.124 20 0 DGADMP C[C@H](CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000668785013 547541119 /nfs/dbraw/zinc/54/11/19/547541119.db2.gz LHQZTLOPQVYUMQ-MJGOQNOKSA-N 2 1 304.478 3.223 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000670266115 547740533 /nfs/dbraw/zinc/74/05/33/547740533.db2.gz ATTOACAKRLCHJY-INIZCTEOSA-N 2 1 304.478 3.291 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671746352 547824615 /nfs/dbraw/zinc/82/46/15/547824615.db2.gz SLWUODNKUWDEPB-KBPBESRZSA-N 2 1 317.433 3.304 20 0 DGADMP C[C@@H](CC1CCC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724589 548258921 /nfs/dbraw/zinc/25/89/21/548258921.db2.gz XCEFRWXXVXNBHX-DOTOQJQBSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881184 548283339 /nfs/dbraw/zinc/28/33/39/548283339.db2.gz KJSIYZHLMGLEJX-GBESFXJTSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880870 548283463 /nfs/dbraw/zinc/28/34/63/548283463.db2.gz IBLACSGYROGZJB-WMZOPIPTSA-N 2 1 302.462 3.289 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000675926451 548293842 /nfs/dbraw/zinc/29/38/42/548293842.db2.gz QMXNVBGXPBRWFV-GOSISDBHSA-N 2 1 323.912 3.407 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000678073353 548607070 /nfs/dbraw/zinc/60/70/70/548607070.db2.gz RSFMHAFFWQBLBS-RTBURBONSA-N 2 1 324.472 3.040 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000678075452 548607155 /nfs/dbraw/zinc/60/71/55/548607155.db2.gz IBYZZZVBWUKJDF-IBGZPJMESA-N 2 1 313.445 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000678075452 548607159 /nfs/dbraw/zinc/60/71/59/548607159.db2.gz IBYZZZVBWUKJDF-IBGZPJMESA-N 2 1 313.445 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000678078589 548608722 /nfs/dbraw/zinc/60/87/22/548608722.db2.gz RMYOVQFLRLTUIV-IBGZPJMESA-N 2 1 323.444 3.199 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000678122698 548617482 /nfs/dbraw/zinc/61/74/82/548617482.db2.gz FUBUBHGMPYHIID-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC000678126245 548619258 /nfs/dbraw/zinc/61/92/58/548619258.db2.gz KOLGNJZSJBRXGO-UHFFFAOYSA-N 2 1 304.459 3.321 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678580876 548731162 /nfs/dbraw/zinc/73/11/62/548731162.db2.gz OUTCWUTYEWIOCW-IRXDYDNUSA-N 2 1 302.462 3.189 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1Cl ZINC000678594214 548734779 /nfs/dbraw/zinc/73/47/79/548734779.db2.gz ZMRCYYARSXQUMF-KFWWJZLASA-N 2 1 308.853 3.324 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000678773262 548761318 /nfs/dbraw/zinc/76/13/18/548761318.db2.gz HYQYDUBJGPTZDP-RBUKOAKNSA-N 2 1 302.462 3.371 20 0 DGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678891691 548788345 /nfs/dbraw/zinc/78/83/45/548788345.db2.gz KVRXNMWFWOBHPZ-LJQANCHMSA-N 2 1 321.553 3.303 20 0 DGADMP C[C@@H]1C[C@@H](Nc2ccc(CC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000679140532 548837312 /nfs/dbraw/zinc/83/73/12/548837312.db2.gz ZJSFWCHTQSPBAI-APWZRJJASA-N 2 1 301.478 3.220 20 0 DGADMP C[C@@H]1C[C@H](Nc2ccccc2C[NH+]2CCSCC2)CC[N@H+]1C ZINC000679142917 548837859 /nfs/dbraw/zinc/83/78/59/548837859.db2.gz NOSYBHMPRCYBJQ-NVXWUHKLSA-N 2 1 319.518 3.130 20 0 DGADMP C[C@H]([NH2+]Cc1[nH]nc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721497 548943425 /nfs/dbraw/zinc/94/34/25/548943425.db2.gz PCTYTUNHYISUDG-GJZGRUSLSA-N 2 1 312.461 3.306 20 0 DGADMP C[C@H]([NH2+]Cc1[nH]nc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721497 548943427 /nfs/dbraw/zinc/94/34/27/548943427.db2.gz PCTYTUNHYISUDG-GJZGRUSLSA-N 2 1 312.461 3.306 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679940389 548966972 /nfs/dbraw/zinc/96/69/72/548966972.db2.gz OBZKPGFCMLGBSN-VQTJNVASSA-N 2 1 315.505 3.288 20 0 DGADMP C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680478317 549058307 /nfs/dbraw/zinc/05/83/07/549058307.db2.gz NBDAXQNOXSQVKA-INIZCTEOSA-N 2 1 313.445 3.215 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681392016 549202153 /nfs/dbraw/zinc/20/21/53/549202153.db2.gz NFTZQLKKUWBQRS-LMCOJAPRSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000681412946 549205856 /nfs/dbraw/zinc/20/58/56/549205856.db2.gz WDCSHZILDFOLOZ-QZTJIDSGSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000681412946 549205862 /nfs/dbraw/zinc/20/58/62/549205862.db2.gz WDCSHZILDFOLOZ-QZTJIDSGSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073416 549284403 /nfs/dbraw/zinc/28/44/03/549284403.db2.gz BAVWOEHAKNLJCG-IUODEOHRSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073416 549284418 /nfs/dbraw/zinc/28/44/18/549284418.db2.gz BAVWOEHAKNLJCG-IUODEOHRSA-N 2 1 316.367 3.357 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000682073416 549284423 /nfs/dbraw/zinc/28/44/23/549284423.db2.gz BAVWOEHAKNLJCG-IUODEOHRSA-N 2 1 316.367 3.357 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076640 549285452 /nfs/dbraw/zinc/28/54/52/549285452.db2.gz VCQKUGAUQIRUJQ-HKUYNNGSSA-N 2 1 302.462 3.107 20 0 DGADMP CC[N@@H+](CCNc1ccnc(C(C)(C)C)n1)CCC(F)(F)F ZINC000683140873 549438115 /nfs/dbraw/zinc/43/81/15/549438115.db2.gz GTNVLOPHNUSRSI-UHFFFAOYSA-N 2 1 318.387 3.460 20 0 DGADMP CCN(CCNc1ccnc(C(C)(C)C)n1)CCC(F)(F)F ZINC000683140873 549438117 /nfs/dbraw/zinc/43/81/17/549438117.db2.gz GTNVLOPHNUSRSI-UHFFFAOYSA-N 2 1 318.387 3.460 20 0 DGADMP CC[NH+](CC)CCCN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000683140941 549438570 /nfs/dbraw/zinc/43/85/70/549438570.db2.gz LILPVOVSZGRMMP-LJQANCHMSA-N 2 1 317.521 3.315 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)o1 ZINC000683691205 549520116 /nfs/dbraw/zinc/52/01/16/549520116.db2.gz XKEZFMJRFDTCKS-HOCLYGCPSA-N 2 1 306.450 3.048 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000684377239 549622605 /nfs/dbraw/zinc/62/26/05/549622605.db2.gz SDZOWRNNNBCMQT-HSALFYBXSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684953139 549724138 /nfs/dbraw/zinc/72/41/38/549724138.db2.gz JDRPBPPBICVNEY-SOLBZPMBSA-N 2 1 301.478 3.417 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684953139 549724143 /nfs/dbraw/zinc/72/41/43/549724143.db2.gz JDRPBPPBICVNEY-SOLBZPMBSA-N 2 1 301.478 3.417 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421688 549756738 /nfs/dbraw/zinc/75/67/38/549756738.db2.gz AEJNKBOQSQIVLU-SOLBZPMBSA-N 2 1 303.494 3.279 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421688 549756742 /nfs/dbraw/zinc/75/67/42/549756742.db2.gz AEJNKBOQSQIVLU-SOLBZPMBSA-N 2 1 303.494 3.279 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421687 549756922 /nfs/dbraw/zinc/75/69/22/549756922.db2.gz AEJNKBOQSQIVLU-JZXOWHBKSA-N 2 1 303.494 3.279 20 0 DGADMP Cc1ccncc1CCC[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421687 549756925 /nfs/dbraw/zinc/75/69/25/549756925.db2.gz AEJNKBOQSQIVLU-JZXOWHBKSA-N 2 1 303.494 3.279 20 0 DGADMP C[C@H](CC1CCCCC1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458398 549763321 /nfs/dbraw/zinc/76/33/21/549763321.db2.gz HDZQQQJBUQQOFH-GOSISDBHSA-N 2 1 309.542 3.162 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000685477605 549769016 /nfs/dbraw/zinc/76/90/16/549769016.db2.gz WTSBYOGCCQJYKE-UHFFFAOYSA-N 2 1 314.429 3.168 20 0 DGADMP C[C@@H]1C[NH+](C/C=C\C[N@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000685590610 549779238 /nfs/dbraw/zinc/77/92/38/549779238.db2.gz IMXSCUASJODGPB-JHZNUDOXSA-N 2 1 322.390 3.497 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000685658092 549786492 /nfs/dbraw/zinc/78/64/92/549786492.db2.gz PIYRLRRCLRNBBX-QGZVFWFLSA-N 2 1 303.494 3.365 20 0 DGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000685658092 549786489 /nfs/dbraw/zinc/78/64/89/549786489.db2.gz PIYRLRRCLRNBBX-QGZVFWFLSA-N 2 1 303.494 3.365 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCC1(F)F ZINC000685849321 549799176 /nfs/dbraw/zinc/79/91/76/549799176.db2.gz QVUZFONIAGXKPO-CQSZACIVSA-N 2 1 312.404 3.104 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731676541 574556335 /nfs/dbraw/zinc/55/63/35/574556335.db2.gz AQTFFBUPXYLWBY-UHFFFAOYSA-N 2 1 313.445 3.475 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054604 574950299 /nfs/dbraw/zinc/95/02/99/574950299.db2.gz QSTPRPBMMJRPTD-FXAWDEMLSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000741054604 574950301 /nfs/dbraw/zinc/95/03/01/574950301.db2.gz QSTPRPBMMJRPTD-FXAWDEMLSA-N 2 1 316.489 3.306 20 0 DGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000742375940 574994065 /nfs/dbraw/zinc/99/40/65/574994065.db2.gz YCWGYDBDOPZGAW-ZFWWWQNUSA-N 2 1 312.404 3.477 20 0 DGADMP Cc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743852417 575065320 /nfs/dbraw/zinc/06/53/20/575065320.db2.gz ZGJYAYYJMRQOHP-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP Cc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743852417 575065322 /nfs/dbraw/zinc/06/53/22/575065322.db2.gz ZGJYAYYJMRQOHP-GOSISDBHSA-N 2 1 302.462 3.182 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1c2ccccc2-c2ccccc21 ZINC000749360307 575647655 /nfs/dbraw/zinc/64/76/55/575647655.db2.gz HQQYYJDJQDJINK-INIZCTEOSA-N 2 1 322.452 3.145 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1c2ccccc2-c2ccccc21 ZINC000749360307 575647657 /nfs/dbraw/zinc/64/76/57/575647657.db2.gz HQQYYJDJQDJINK-INIZCTEOSA-N 2 1 322.452 3.145 20 0 DGADMP Fc1ccc(SCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000852748463 620645887 /nfs/dbraw/zinc/64/58/87/620645887.db2.gz WMLCZPKDCDSAJO-MRXNPFEDSA-N 2 1 312.429 3.132 20 0 DGADMP Fc1ccc(SCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000852748463 620645890 /nfs/dbraw/zinc/64/58/90/620645890.db2.gz WMLCZPKDCDSAJO-MRXNPFEDSA-N 2 1 312.429 3.132 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000917014647 620652383 /nfs/dbraw/zinc/65/23/83/620652383.db2.gz ATVNAEQVCZTWHQ-MOPGFXCFSA-N 2 1 302.462 3.060 20 0 DGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000917014647 620652386 /nfs/dbraw/zinc/65/23/86/620652386.db2.gz ATVNAEQVCZTWHQ-MOPGFXCFSA-N 2 1 302.462 3.060 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ncc(Cl)c3C3CC3)C2)CC1 ZINC000853505473 620702985 /nfs/dbraw/zinc/70/29/85/620702985.db2.gz XUHFRHMJGBLXJF-OAHLLOKOSA-N 2 1 322.884 3.035 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ncc(Cl)c3C3CC3)C2)CC1 ZINC000853505473 620702987 /nfs/dbraw/zinc/70/29/87/620702987.db2.gz XUHFRHMJGBLXJF-OAHLLOKOSA-N 2 1 322.884 3.035 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3ncc(Cl)c3C3CC3)C2)CC1 ZINC000853505471 620703021 /nfs/dbraw/zinc/70/30/21/620703021.db2.gz XUHFRHMJGBLXJF-HNNXBMFYSA-N 2 1 322.884 3.035 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ncc(Cl)c3C3CC3)C2)CC1 ZINC000853505471 620703022 /nfs/dbraw/zinc/70/30/22/620703022.db2.gz XUHFRHMJGBLXJF-HNNXBMFYSA-N 2 1 322.884 3.035 20 0 DGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000806135588 617716631 /nfs/dbraw/zinc/71/66/31/617716631.db2.gz UKYAUHUQWMWYJC-OAHLLOKOSA-N 2 1 305.853 3.329 20 0 DGADMP C[C@]1(Br)C[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892087048 617958853 /nfs/dbraw/zinc/95/88/53/617958853.db2.gz YQRMRPKDNHXCDO-KKUMJFAQSA-N 2 1 315.299 3.110 20 0 DGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000926346383 617959393 /nfs/dbraw/zinc/95/93/93/617959393.db2.gz CCMYUYPDPIJPQA-APWZRJJASA-N 2 1 301.478 3.399 20 0 DGADMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106463 617964077 /nfs/dbraw/zinc/96/40/77/617964077.db2.gz WNDZBKYUADEYIN-DOTOQJQBSA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106463 617964080 /nfs/dbraw/zinc/96/40/80/617964080.db2.gz WNDZBKYUADEYIN-DOTOQJQBSA-N 2 1 301.478 3.183 20 0 DGADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106463 617964082 /nfs/dbraw/zinc/96/40/82/617964082.db2.gz WNDZBKYUADEYIN-DOTOQJQBSA-N 2 1 301.478 3.183 20 0 DGADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000892233109 617990861 /nfs/dbraw/zinc/99/08/61/617990861.db2.gz CVWXDZFLLPWDTM-HSALFYBXSA-N 2 1 316.489 3.029 20 0 DGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000926503718 618034495 /nfs/dbraw/zinc/03/44/95/618034495.db2.gz NTFNXZBOTKVCIM-MKXGPGLRSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000892632260 618122860 /nfs/dbraw/zinc/12/28/60/618122860.db2.gz MIMLBGRQWQHAPH-UHFFFAOYSA-N 2 1 306.498 3.433 20 0 DGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924580823 618123189 /nfs/dbraw/zinc/12/31/89/618123189.db2.gz XOANPUGXSXWLGQ-MOPGFXCFSA-N 2 1 304.478 3.159 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000892704409 618143142 /nfs/dbraw/zinc/14/31/42/618143142.db2.gz RKMNULWMCSMEHK-CQSZACIVSA-N 2 1 316.836 3.028 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000926832577 618146992 /nfs/dbraw/zinc/14/69/92/618146992.db2.gz JBHXRVFQQFTNJW-UHFFFAOYSA-N 2 1 317.433 3.134 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892741954 618151802 /nfs/dbraw/zinc/15/18/02/618151802.db2.gz DTHHJTQJASGXEH-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892741954 618151804 /nfs/dbraw/zinc/15/18/04/618151804.db2.gz DTHHJTQJASGXEH-LLVKDONJSA-N 2 1 321.412 3.069 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H]2C(C)C)cc1F ZINC000854229338 620786223 /nfs/dbraw/zinc/78/62/23/620786223.db2.gz LOKPNTQKQNPDHQ-LAQRGFTBSA-N 2 1 320.452 3.304 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H]2C2CC2)cc1F ZINC000854229280 620786367 /nfs/dbraw/zinc/78/63/67/620786367.db2.gz JXSWFHHFJFZBDM-FZCLSBEQSA-N 2 1 318.436 3.058 20 0 DGADMP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000894385561 618299994 /nfs/dbraw/zinc/29/99/94/618299994.db2.gz TWCVTXXKWCAKQH-UHFFFAOYSA-N 2 1 312.461 3.102 20 0 DGADMP Cc1nn(C(C)C)c(C)c1CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000892944295 618361904 /nfs/dbraw/zinc/36/19/04/618361904.db2.gz OOOOWUVLCBIMJC-QGZVFWFLSA-N 2 1 306.498 3.291 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000892944295 618361914 /nfs/dbraw/zinc/36/19/14/618361914.db2.gz OOOOWUVLCBIMJC-QGZVFWFLSA-N 2 1 306.498 3.291 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000892944295 618361920 /nfs/dbraw/zinc/36/19/20/618361920.db2.gz OOOOWUVLCBIMJC-QGZVFWFLSA-N 2 1 306.498 3.291 20 0 DGADMP COCc1c(C)cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000894850699 618475213 /nfs/dbraw/zinc/47/52/13/618475213.db2.gz MZPVTUCWBNNRKU-HXUWFJFHSA-N 2 1 316.489 3.286 20 0 DGADMP COCc1c(C)cc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000894850699 618475215 /nfs/dbraw/zinc/47/52/15/618475215.db2.gz MZPVTUCWBNNRKU-HXUWFJFHSA-N 2 1 316.489 3.286 20 0 DGADMP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000925533834 618478121 /nfs/dbraw/zinc/47/81/21/618478121.db2.gz HFFAYYLGBQVMPZ-WOJBJXKFSA-N 3 1 319.537 3.151 20 0 DGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000925557538 618492824 /nfs/dbraw/zinc/49/28/24/618492824.db2.gz CBNSMBXUDHUBLX-RYUDHWBXSA-N 2 1 305.447 3.399 20 0 DGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000925557543 618492988 /nfs/dbraw/zinc/49/29/88/618492988.db2.gz CBNSMBXUDHUBLX-VXGBXAGGSA-N 2 1 305.447 3.399 20 0 DGADMP c1cc2c(nc[nH+]c2NC2CC[NH+](CC3CCCCC3)CC2)[nH]1 ZINC000726967540 618522248 /nfs/dbraw/zinc/52/22/48/618522248.db2.gz WRMIYKHRRHDBOU-UHFFFAOYSA-N 2 1 313.449 3.415 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C12CCC2 ZINC000925721773 618551281 /nfs/dbraw/zinc/55/12/81/618551281.db2.gz FTQMBUPHTFEOMY-BZUAXINKSA-N 2 1 306.837 3.063 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000893534411 618587678 /nfs/dbraw/zinc/58/76/78/618587678.db2.gz LEKZLUWONINNQO-OAHLLOKOSA-N 2 1 306.498 3.435 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895290644 618588587 /nfs/dbraw/zinc/58/85/87/618588587.db2.gz OTSLPUSPQWQAFP-OAHLLOKOSA-N 2 1 314.477 3.227 20 0 DGADMP C[C@H](CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000895291058 618588645 /nfs/dbraw/zinc/58/86/45/618588645.db2.gz ZDVINJPWVFQAFC-YVWKXTFCSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@H](CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000895291055 618588741 /nfs/dbraw/zinc/58/87/41/618588741.db2.gz ZDVINJPWVFQAFC-IMFGXOCKSA-N 2 1 315.505 3.284 20 0 DGADMP C[C@@H](CC[NH2+]Cc1ccc(OCc2ccncc2)cc1)[NH+](C)C ZINC000895300009 618590566 /nfs/dbraw/zinc/59/05/66/618590566.db2.gz RDJYWTDLTUNVLV-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP C[C@@H](CC[NH2+]Cc1cccc(OCC(F)(F)F)c1)[NH+](C)C ZINC000895299408 618590658 /nfs/dbraw/zinc/59/06/58/618590658.db2.gz KDIWVULDHSROJE-LBPRGKRZSA-N 2 1 304.356 3.058 20 0 DGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780506 618617871 /nfs/dbraw/zinc/61/78/71/618617871.db2.gz SQBGLNCYBFQEDQ-UKRRQHHQSA-N 2 1 312.404 3.369 20 0 DGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)C(C)(C)c1ccccc1 ZINC000925844027 618644254 /nfs/dbraw/zinc/64/42/54/618644254.db2.gz INZRQDKZAMAWEK-GOSISDBHSA-N 2 1 317.521 3.018 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2)[C@@H]1CCC[NH2+]C1 ZINC000925889140 618653018 /nfs/dbraw/zinc/65/30/18/618653018.db2.gz HLAMWXQRZPGFEF-MBNYWOFBSA-N 2 1 308.853 3.314 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044866 618698752 /nfs/dbraw/zinc/69/87/52/618698752.db2.gz LVIRMHCQOLLNAX-DOTOQJQBSA-N 2 1 320.477 3.317 20 0 DGADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)CCCN2 ZINC000894053947 618700568 /nfs/dbraw/zinc/70/05/68/618700568.db2.gz MEFOJXXOIUNNGP-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)CCCN2 ZINC000894053947 618700572 /nfs/dbraw/zinc/70/05/72/618700572.db2.gz MEFOJXXOIUNNGP-QGZVFWFLSA-N 2 1 313.489 3.353 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894058405 618701914 /nfs/dbraw/zinc/70/19/14/618701914.db2.gz TYYVHUBMNLMUDI-INIZCTEOSA-N 2 1 301.478 3.208 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894058405 618701915 /nfs/dbraw/zinc/70/19/15/618701915.db2.gz TYYVHUBMNLMUDI-INIZCTEOSA-N 2 1 301.478 3.208 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C/c1cccc(F)c1 ZINC000894094537 618708288 /nfs/dbraw/zinc/70/82/88/618708288.db2.gz LXRWHNGIMADGAA-FUQNWXFXSA-N 2 1 318.436 3.022 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C/c1cccc(F)c1 ZINC000894094537 618708290 /nfs/dbraw/zinc/70/82/90/618708290.db2.gz LXRWHNGIMADGAA-FUQNWXFXSA-N 2 1 318.436 3.022 20 0 DGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000894230973 618734710 /nfs/dbraw/zinc/73/47/10/618734710.db2.gz KTNBUFJIDGPFAT-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924959824 618749686 /nfs/dbraw/zinc/74/96/86/618749686.db2.gz MHZWOABBTLBXMA-CJNGLKHVSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924959824 618749689 /nfs/dbraw/zinc/74/96/89/618749689.db2.gz MHZWOABBTLBXMA-CJNGLKHVSA-N 2 1 307.869 3.432 20 0 DGADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000894376239 618774230 /nfs/dbraw/zinc/77/42/30/618774230.db2.gz RDFULIDDHLUXLO-OALUTQOASA-N 2 1 307.526 3.129 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508342 618792822 /nfs/dbraw/zinc/79/28/22/618792822.db2.gz FZHKBSQVOZNPSX-CJNGLKHVSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000895508342 618792826 /nfs/dbraw/zinc/79/28/26/618792826.db2.gz FZHKBSQVOZNPSX-CJNGLKHVSA-N 2 1 317.433 3.086 20 0 DGADMP C[C@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CCN1c1cc[nH+]cc1 ZINC000895558266 618798496 /nfs/dbraw/zinc/79/84/96/618798496.db2.gz UTLZEEYBAABSQK-INIZCTEOSA-N 2 1 321.424 3.068 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895622623 618808439 /nfs/dbraw/zinc/80/84/39/618808439.db2.gz HOOJTSCYFCVEME-BOLBYERCSA-N 2 1 314.473 3.369 20 0 DGADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895622623 618808440 /nfs/dbraw/zinc/80/84/40/618808440.db2.gz HOOJTSCYFCVEME-BOLBYERCSA-N 2 1 314.473 3.369 20 0 DGADMP CC[N@@H+]1CC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672088 618816421 /nfs/dbraw/zinc/81/64/21/618816421.db2.gz OQJASCQGOSZPSO-RLLQIKCJSA-N 2 1 313.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672088 618816423 /nfs/dbraw/zinc/81/64/23/618816423.db2.gz OQJASCQGOSZPSO-RLLQIKCJSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672088 618816426 /nfs/dbraw/zinc/81/64/26/618816426.db2.gz OQJASCQGOSZPSO-RLLQIKCJSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672088 618816428 /nfs/dbraw/zinc/81/64/28/618816428.db2.gz OQJASCQGOSZPSO-RLLQIKCJSA-N 2 1 313.489 3.038 20 0 DGADMP Cc1ccc2ncc(C[N@@H+](C)CCCC[NH+]3CCCCC3)n2c1 ZINC000895683806 618818484 /nfs/dbraw/zinc/81/84/84/618818484.db2.gz SMQSNMPMLXQMFN-UHFFFAOYSA-N 2 1 314.477 3.341 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@@]1(C)Br ZINC000896028659 618864799 /nfs/dbraw/zinc/86/47/99/618864799.db2.gz UUWFEQRCDAEEFG-LSDHHAIUSA-N 2 1 317.315 3.358 20 0 DGADMP C[C@H](CC[NH2+]C1CC2(C1)CO[C@H](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000925199305 619073610 /nfs/dbraw/zinc/07/36/10/619073610.db2.gz AGKXHPNTHLHLLX-NXMBOHNASA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000897470567 619132021 /nfs/dbraw/zinc/13/20/21/619132021.db2.gz GTWVQZQKDVPPPD-LBPRGKRZSA-N 2 1 311.267 3.236 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000897520219 619144236 /nfs/dbraw/zinc/14/42/36/619144236.db2.gz CHYZVCQBWIVTNC-KRWDZBQOSA-N 2 1 317.477 3.340 20 0 DGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000897520219 619144237 /nfs/dbraw/zinc/14/42/37/619144237.db2.gz CHYZVCQBWIVTNC-KRWDZBQOSA-N 2 1 317.477 3.340 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CCC(F)(F)C2)s1 ZINC000898015548 619206277 /nfs/dbraw/zinc/20/62/77/619206277.db2.gz ZCAGYBFIRYSVBK-LLVKDONJSA-N 2 1 303.422 3.120 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(CC2CCC2)c1 ZINC000898180412 619223515 /nfs/dbraw/zinc/22/35/15/619223515.db2.gz ZALZATPPXRMOFT-HNNXBMFYSA-N 2 1 316.493 3.208 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(CC2CCC2)c1 ZINC000898180413 619223633 /nfs/dbraw/zinc/22/36/33/619223633.db2.gz ZALZATPPXRMOFT-OAHLLOKOSA-N 2 1 316.493 3.208 20 0 DGADMP CCO[C@H](C[NH2+][C@H](C)CCc1c[nH]c2ccccc12)C[NH+](C)C ZINC000926957354 619252325 /nfs/dbraw/zinc/25/23/25/619252325.db2.gz AFAOAWBJVZWCDE-NVXWUHKLSA-N 2 1 317.477 3.045 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924663027 619254858 /nfs/dbraw/zinc/25/48/58/619254858.db2.gz XUYXVEICCUZXRC-MSOLQXFVSA-N 2 1 309.542 3.209 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518061 619283613 /nfs/dbraw/zinc/28/36/13/619283613.db2.gz XJGLMUUUIVAYBR-NXHKRRBXSA-N 2 1 316.489 3.300 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC000898522995 619284097 /nfs/dbraw/zinc/28/40/97/619284097.db2.gz WTUVNLGBBXCYDV-HSALFYBXSA-N 2 1 321.468 3.472 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000901231111 619479083 /nfs/dbraw/zinc/47/90/83/619479083.db2.gz UMDMZAJMOVVRPQ-MSOLQXFVSA-N 2 1 315.461 3.012 20 0 DGADMP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348298 619620082 /nfs/dbraw/zinc/62/00/82/619620082.db2.gz UHRGDAPPWHCYCT-CABCVRRESA-N 2 1 314.477 3.485 20 0 DGADMP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CCO2 ZINC000902374402 619624539 /nfs/dbraw/zinc/62/45/39/619624539.db2.gz LPMWWGGSTLSAGY-PBHICJAKSA-N 2 1 318.461 3.277 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000902374927 619624936 /nfs/dbraw/zinc/62/49/36/619624936.db2.gz RVYTVUVZZJNQEM-SZMVWBNQSA-N 2 1 303.494 3.046 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000902374924 619625065 /nfs/dbraw/zinc/62/50/65/619625065.db2.gz RVYTVUVZZJNQEM-CGTJXYLNSA-N 2 1 303.494 3.046 20 0 DGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902412774 619630027 /nfs/dbraw/zinc/63/00/27/619630027.db2.gz DOEAKJUNQMCXAT-GOSISDBHSA-N 2 1 314.404 3.199 20 0 DGADMP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902431158 619635028 /nfs/dbraw/zinc/63/50/28/619635028.db2.gz RWHZPQHFNBCLLR-VNQPRFMTSA-N 2 1 308.853 3.359 20 0 DGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902437427 619636071 /nfs/dbraw/zinc/63/60/71/619636071.db2.gz HTZZBPKUMKJUKO-NSGGIEJNSA-N 2 1 321.468 3.036 20 0 DGADMP Cc1ccc(F)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC000902612140 619658538 /nfs/dbraw/zinc/65/85/38/619658538.db2.gz JQWUDPUXGSLYDU-YHWZYXNKSA-N 2 1 323.387 3.144 20 0 DGADMP Cc1ccc(F)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC000902612140 619658540 /nfs/dbraw/zinc/65/85/40/619658540.db2.gz JQWUDPUXGSLYDU-YHWZYXNKSA-N 2 1 323.387 3.144 20 0 DGADMP CCCn1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000902749211 619669828 /nfs/dbraw/zinc/66/98/28/619669828.db2.gz QXJQNEKCKQMHGX-BBWFWOEESA-N 2 1 321.513 3.097 20 0 DGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753484 619670194 /nfs/dbraw/zinc/67/01/94/619670194.db2.gz QENCXEUHRDDGLY-FPMFFAJLSA-N 2 1 313.367 3.378 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902789873 619676887 /nfs/dbraw/zinc/67/68/87/619676887.db2.gz KUXUKGWACYRFTN-IIDMSEBBSA-N 2 1 313.445 3.057 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1COc2ccccc2C1 ZINC000903016094 619701961 /nfs/dbraw/zinc/70/19/61/619701961.db2.gz IMBSRUJLTJOAKF-RDJZCZTQSA-N 2 1 302.462 3.090 20 0 DGADMP c1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903058603 619707689 /nfs/dbraw/zinc/70/76/89/619707689.db2.gz IVHQKTSHULSXCK-ZNXRZULTSA-N 2 1 324.472 3.174 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091143 619714441 /nfs/dbraw/zinc/71/44/41/619714441.db2.gz OCOBXFOPSDZCBE-AEFFLSMTSA-N 2 1 318.509 3.454 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903091143 619714442 /nfs/dbraw/zinc/71/44/42/619714442.db2.gz OCOBXFOPSDZCBE-AEFFLSMTSA-N 2 1 318.509 3.454 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000903068510 619714566 /nfs/dbraw/zinc/71/45/66/619714566.db2.gz GVBKTQIDERVYSX-GDIGMMSISA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000903068510 619714568 /nfs/dbraw/zinc/71/45/68/619714568.db2.gz GVBKTQIDERVYSX-GDIGMMSISA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000903068510 619714569 /nfs/dbraw/zinc/71/45/69/619714569.db2.gz GVBKTQIDERVYSX-GDIGMMSISA-N 2 1 316.445 3.027 20 0 DGADMP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000903068510 619714570 /nfs/dbraw/zinc/71/45/70/619714570.db2.gz GVBKTQIDERVYSX-GDIGMMSISA-N 2 1 316.445 3.027 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069591 619714871 /nfs/dbraw/zinc/71/48/71/619714871.db2.gz HZERKTQYVFWVEN-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069591 619714872 /nfs/dbraw/zinc/71/48/72/619714872.db2.gz HZERKTQYVFWVEN-QWHCGFSZSA-N 2 1 315.383 3.483 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069589 619714878 /nfs/dbraw/zinc/71/48/78/619714878.db2.gz HZERKTQYVFWVEN-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069589 619714880 /nfs/dbraw/zinc/71/48/80/619714880.db2.gz HZERKTQYVFWVEN-CHWSQXEVSA-N 2 1 315.383 3.483 20 0 DGADMP COc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccc1C ZINC000903099711 619716316 /nfs/dbraw/zinc/71/63/16/619716316.db2.gz LTXPHHGRTDUZCL-JLYLLQBASA-N 2 1 314.473 3.294 20 0 DGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Oc1ccc(F)cc1 ZINC000903104365 619717144 /nfs/dbraw/zinc/71/71/44/619717144.db2.gz TXUOMZAQBMBWJX-PNFOFYCQSA-N 2 1 318.436 3.340 20 0 DGADMP Cc1cc(F)ccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109087 619718235 /nfs/dbraw/zinc/71/82/35/619718235.db2.gz DAALZXKFSOVIRI-JLYLLQBASA-N 2 1 302.437 3.424 20 0 DGADMP C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903113345 619719971 /nfs/dbraw/zinc/71/99/71/619719971.db2.gz NFMIANXBTQVXFO-PPHJYPGKSA-N 2 1 320.502 3.308 20 0 DGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(C)C ZINC000903153792 619726079 /nfs/dbraw/zinc/72/60/79/619726079.db2.gz SYKUHBLGTJPBFD-HMGCCCKFSA-N 2 1 306.494 3.326 20 0 DGADMP COCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903148137 619728731 /nfs/dbraw/zinc/72/87/31/619728731.db2.gz XLGBEORIVIFXEV-CVGRLMLNSA-N 2 1 304.434 3.105 20 0 DGADMP Cc1cccc2c1OC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903175774 619730216 /nfs/dbraw/zinc/73/02/16/619730216.db2.gz VNJBZDRWNCRSLN-MHGPCZNRSA-N 2 1 312.457 3.046 20 0 DGADMP C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC[NH+]1C1CCCCC1 ZINC000903205335 619738138 /nfs/dbraw/zinc/73/81/38/619738138.db2.gz HBYSQMCNZYLILI-FOUFQHLJSA-N 2 1 317.521 3.141 20 0 DGADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000903205335 619738141 /nfs/dbraw/zinc/73/81/41/619738141.db2.gz HBYSQMCNZYLILI-FOUFQHLJSA-N 2 1 317.521 3.141 20 0 DGADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000903205335 619738142 /nfs/dbraw/zinc/73/81/42/619738142.db2.gz HBYSQMCNZYLILI-FOUFQHLJSA-N 2 1 317.521 3.141 20 0 DGADMP CC1(C)CCC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903209055 619738763 /nfs/dbraw/zinc/73/87/63/619738763.db2.gz DXYLQZGFQYPUKQ-IVZBYUQCSA-N 2 1 320.521 3.455 20 0 DGADMP c1ccc(NC2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903216900 619740217 /nfs/dbraw/zinc/74/02/17/619740217.db2.gz KPXFGKGWTGKBRA-MUBKNYBQSA-N 2 1 311.473 3.377 20 0 DGADMP c1cnc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)c2c1 ZINC000903217106 619740424 /nfs/dbraw/zinc/74/04/24/619740424.db2.gz PFTXRSFORLBUFC-ZNXRZULTSA-N 2 1 307.441 3.482 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464340 619777255 /nfs/dbraw/zinc/77/72/55/619777255.db2.gz JLLVQELFSFDQLL-OMNBBPDLSA-N 2 1 308.853 3.229 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000903444054 619777584 /nfs/dbraw/zinc/77/75/84/619777584.db2.gz OKJIMSVOBORYBP-RSPOEFSDSA-N 2 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000903444054 619777586 /nfs/dbraw/zinc/77/75/86/619777586.db2.gz OKJIMSVOBORYBP-RSPOEFSDSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000903444054 619777587 /nfs/dbraw/zinc/77/75/87/619777587.db2.gz OKJIMSVOBORYBP-RSPOEFSDSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444054 619777589 /nfs/dbraw/zinc/77/75/89/619777589.db2.gz OKJIMSVOBORYBP-RSPOEFSDSA-N 3 1 315.505 3.099 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC000903444054 619777590 /nfs/dbraw/zinc/77/75/90/619777590.db2.gz OKJIMSVOBORYBP-RSPOEFSDSA-N 3 1 315.505 3.099 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C[C@@H]21 ZINC000903447570 619778186 /nfs/dbraw/zinc/77/81/86/619778186.db2.gz YHCVYYGFLNJKEQ-ZHCJQAHYSA-N 2 1 306.400 3.095 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000903456048 619779780 /nfs/dbraw/zinc/77/97/80/619779780.db2.gz DANJJBDBTOWBQH-MOPGFXCFSA-N 3 1 309.542 3.194 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[NH2+][C@H]3CC[NH2+]C34CCC4)O2)cc1 ZINC000903472750 619780151 /nfs/dbraw/zinc/78/01/51/619780151.db2.gz VVZKSTKALUSQLM-SQNIBIBYSA-N 2 1 300.446 3.171 20 0 DGADMP FC1(F)[C@@H](C[N@@H+]2CC[NH2+]CCC23CCC3)[C@@H]1c1ccccc1 ZINC000903482619 619781178 /nfs/dbraw/zinc/78/11/78/619781178.db2.gz MQFQQOODPLXAOI-HOTGVXAUSA-N 2 1 306.400 3.253 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CC[NH2+]CCC23CCC3)[C@@H]1c1ccccc1 ZINC000903482619 619781179 /nfs/dbraw/zinc/78/11/79/619781179.db2.gz MQFQQOODPLXAOI-HOTGVXAUSA-N 2 1 306.400 3.253 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000903482485 619781246 /nfs/dbraw/zinc/78/12/46/619781246.db2.gz JDFIFKBBRODTAU-NXHRZFHOSA-N 2 1 324.472 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1CC[NH3+] ZINC000903496503 619782265 /nfs/dbraw/zinc/78/22/65/619782265.db2.gz QJAAPIWYNPELNV-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508471 619782488 /nfs/dbraw/zinc/78/24/88/619782488.db2.gz IAHYWJDYYTWQCY-ZCNNSNEGSA-N 2 1 313.489 3.038 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1CC[NH3+] ZINC000903496499 619782525 /nfs/dbraw/zinc/78/25/25/619782525.db2.gz PZSNYYLOSDWSNZ-TZMCWYRMSA-N 2 1 319.836 3.412 20 0 DGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718695 619803045 /nfs/dbraw/zinc/80/30/45/619803045.db2.gz QTAMHZDHMLIZOM-VQTJNVASSA-N 2 1 310.441 3.040 20 0 DGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903722460 619803579 /nfs/dbraw/zinc/80/35/79/619803579.db2.gz BCXSRUQICLUVBS-RTBURBONSA-N 2 1 314.473 3.291 20 0 DGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722498 619803862 /nfs/dbraw/zinc/80/38/62/619803862.db2.gz BKSALLSSTVRMOU-SJORKVTESA-N 2 1 302.462 3.147 20 0 DGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726234 619804820 /nfs/dbraw/zinc/80/48/20/619804820.db2.gz LCINJLLHBDYDMD-FPOVZHCZSA-N 2 1 324.468 3.083 20 0 DGADMP CC[N@H+](Cc1ccccc1Cl)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724932 619805163 /nfs/dbraw/zinc/80/51/63/619805163.db2.gz SLDMQECLKUKOON-INIZCTEOSA-N 2 1 322.880 3.321 20 0 DGADMP Cc1ccc(C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C(C)C)s1 ZINC000903727780 619805508 /nfs/dbraw/zinc/80/55/08/619805508.db2.gz XFURSKZQGDJUMI-NVXWUHKLSA-N 2 1 308.491 3.036 20 0 DGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903733056 619806473 /nfs/dbraw/zinc/80/64/73/619806473.db2.gz IRJCHQYYRJGTLT-DOTOQJQBSA-N 2 1 318.436 3.110 20 0 DGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903733056 619806477 /nfs/dbraw/zinc/80/64/77/619806477.db2.gz IRJCHQYYRJGTLT-DOTOQJQBSA-N 2 1 318.436 3.110 20 0 DGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766938 619810066 /nfs/dbraw/zinc/81/00/66/619810066.db2.gz DGJOIQZQVGSWHF-BJLQDIEVSA-N 2 1 314.473 3.209 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2CF)CC[C@@H]1C(F)(F)F ZINC000903769653 619810199 /nfs/dbraw/zinc/81/01/99/619810199.db2.gz LLSGDVAUTDGUTH-KGLIPLIRSA-N 2 1 304.331 3.115 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2CF)CC[C@@H]1C(F)(F)F ZINC000903769653 619810200 /nfs/dbraw/zinc/81/02/00/619810200.db2.gz LLSGDVAUTDGUTH-KGLIPLIRSA-N 2 1 304.331 3.115 20 0 DGADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903785951 619813333 /nfs/dbraw/zinc/81/33/33/619813333.db2.gz CMOIQLUPTLOICY-CABCVRRESA-N 2 1 319.518 3.201 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccccc2)cc1)C1(C[NH3+])CCOCC1 ZINC000903805961 619816924 /nfs/dbraw/zinc/81/69/24/619816924.db2.gz SXJVUOVOMQJVCA-UHFFFAOYSA-N 2 1 310.441 3.293 20 0 DGADMP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1(C[NH3+])CCOCC1 ZINC000903805961 619816926 /nfs/dbraw/zinc/81/69/26/619816926.db2.gz SXJVUOVOMQJVCA-UHFFFAOYSA-N 2 1 310.441 3.293 20 0 DGADMP Cc1ccc2c(ccc(C)c2C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903809581 619817126 /nfs/dbraw/zinc/81/71/26/619817126.db2.gz FWMGRHKQDNKOCA-UHFFFAOYSA-N 2 1 312.457 3.396 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOCc2ccccc2)CCC1 ZINC000903811524 619817776 /nfs/dbraw/zinc/81/77/76/619817776.db2.gz MEDYILFKVKHICQ-SFHVURJKSA-N 2 1 302.462 3.187 20 0 DGADMP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000903891355 619826758 /nfs/dbraw/zinc/82/67/58/619826758.db2.gz LZDGWJZHARECCZ-HNNXBMFYSA-N 2 1 324.415 3.349 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885102 619828457 /nfs/dbraw/zinc/82/84/57/619828457.db2.gz DNOOQAHBWYKXGA-IHWFROFDSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903898786 619830431 /nfs/dbraw/zinc/83/04/31/619830431.db2.gz PXFFYAJGWGRCRY-UXDRXVOSSA-N 2 1 316.489 3.336 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959865 619839876 /nfs/dbraw/zinc/83/98/76/619839876.db2.gz QGKPOOHDAXWNGW-QGZVFWFLSA-N 2 1 316.474 3.104 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959865 619839877 /nfs/dbraw/zinc/83/98/77/619839877.db2.gz QGKPOOHDAXWNGW-QGZVFWFLSA-N 2 1 316.474 3.104 20 0 DGADMP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903947663 619844002 /nfs/dbraw/zinc/84/40/02/619844002.db2.gz DOZWDSPSTMDCOT-UXHICEINSA-N 2 1 310.416 3.448 20 0 DGADMP CCC1([NH3+])CC[NH+](Cc2cccc(-c3ccc(N)cc3)n2)CC1 ZINC000903947737 619844309 /nfs/dbraw/zinc/84/43/09/619844309.db2.gz GLCWICPVSJFGGP-UHFFFAOYSA-N 2 1 310.445 3.034 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1C(F)(F)F ZINC000903956653 619846906 /nfs/dbraw/zinc/84/69/06/619846906.db2.gz MIOFZHOODVNOII-GFCCVEGCSA-N 2 1 322.321 3.348 20 0 DGADMP CCSc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955890 619847101 /nfs/dbraw/zinc/84/71/01/619847101.db2.gz BWASNFSRLBRKCO-CYBMUJFWSA-N 2 1 300.418 3.133 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000904305357 619911449 /nfs/dbraw/zinc/91/14/49/619911449.db2.gz LSJROVCLXSWWFZ-APWZRJJASA-N 2 1 318.461 3.230 20 0 DGADMP CCCOc1ccc(C[N@@H+](CCC)C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000904311389 619911944 /nfs/dbraw/zinc/91/19/44/619911944.db2.gz ALLFIMHJBHJOEI-CALCHBBNSA-N 2 1 320.477 3.433 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)C1 ZINC000904337572 619912600 /nfs/dbraw/zinc/91/26/00/619912600.db2.gz DHTIDUYCYCPBTK-VNQPRFMTSA-N 2 1 312.417 3.001 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CCC[NH2+]C1 ZINC000904327724 619913933 /nfs/dbraw/zinc/91/39/33/619913933.db2.gz HZFVTZGGMFDNIA-QRVBRYPASA-N 2 1 320.452 3.103 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904342281 619914804 /nfs/dbraw/zinc/91/48/04/619914804.db2.gz BSRSAPUFADKFNR-IAGOWNOFSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904342281 619914807 /nfs/dbraw/zinc/91/48/07/619914807.db2.gz BSRSAPUFADKFNR-IAGOWNOFSA-N 2 1 310.869 3.349 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)cc1F ZINC000904381190 619918826 /nfs/dbraw/zinc/91/88/26/619918826.db2.gz LGCOUQKRLRHETA-CRAIPNDOSA-N 2 1 306.425 3.013 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1Oc1cccnc1 ZINC000904406670 619920090 /nfs/dbraw/zinc/92/00/90/619920090.db2.gz UFJZTBUHJRFVCR-MRXNPFEDSA-N 2 1 311.429 3.353 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](CC[NH3+])C3)s2)cc1 ZINC000904406117 619920230 /nfs/dbraw/zinc/92/02/30/619920230.db2.gz PTDDQTPKHRGEDR-AWEZNQCLSA-N 2 1 301.459 3.289 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H](CC[NH3+])C2)cccc1OCC ZINC000904409957 619920381 /nfs/dbraw/zinc/92/03/81/619920381.db2.gz KYZUBIAQVYGDCO-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000904406970 619920667 /nfs/dbraw/zinc/92/06/67/619920667.db2.gz ZEJIKWZVTJQXPQ-JTQLQIEISA-N 2 1 304.768 3.112 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1C[NH3+] ZINC000904412427 619921008 /nfs/dbraw/zinc/92/10/08/619921008.db2.gz VRDZGUVKAIMAKT-RHSMWYFYSA-N 2 1 313.420 3.304 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904598069 619935395 /nfs/dbraw/zinc/93/53/95/619935395.db2.gz MUHJISNWUPAUAH-AWEZNQCLSA-N 2 1 320.481 3.122 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000905047982 619966488 /nfs/dbraw/zinc/96/64/88/619966488.db2.gz WDORFGZHXMYLKZ-PKOBYXMFSA-N 2 1 304.478 3.130 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@H]2CCC[C@H]21 ZINC000906524568 620102768 /nfs/dbraw/zinc/10/27/68/620102768.db2.gz FNVBLMPYBLKIOM-FGTMMUONSA-N 2 1 311.429 3.304 20 0 DGADMP Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)ccc1C[NH+](C)C ZINC000909927244 620262251 /nfs/dbraw/zinc/26/22/51/620262251.db2.gz OFGSCRDJRZIZLR-ROUUACIJSA-N 2 1 315.461 3.012 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccnnc1 ZINC000924855436 620429427 /nfs/dbraw/zinc/42/94/27/620429427.db2.gz JSOUGHQSVQOIRS-OAHLLOKOSA-N 2 1 302.466 3.172 20 0 DGADMP C([NH2+][C@H]1CC2CCC1CC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000925387399 620462849 /nfs/dbraw/zinc/46/28/49/620462849.db2.gz MQEPRJFBHRPUHD-ABHNRTSZSA-N 2 1 306.494 3.190 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852567175 620630711 /nfs/dbraw/zinc/63/07/11/620630711.db2.gz QPHKJNSXMXLYBQ-MJGOQNOKSA-N 2 1 312.461 3.368 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921686314 620933602 /nfs/dbraw/zinc/93/36/02/620933602.db2.gz QZJHGQCGGYXBEA-CQSZACIVSA-N 2 1 315.465 3.009 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000921688666 620934229 /nfs/dbraw/zinc/93/42/29/620934229.db2.gz AVMNLVIEEXXOEF-NVXWUHKLSA-N 2 1 302.462 3.220 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCC2)C1 ZINC000921688779 620934630 /nfs/dbraw/zinc/93/46/30/620934630.db2.gz FZQIFJUCASMTNK-MRXNPFEDSA-N 2 1 318.509 3.288 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C2CCCC2)C1 ZINC000921688779 620934633 /nfs/dbraw/zinc/93/46/33/620934633.db2.gz FZQIFJUCASMTNK-MRXNPFEDSA-N 2 1 318.509 3.288 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980032 620975840 /nfs/dbraw/zinc/97/58/40/620975840.db2.gz IIXJPGTZFLJCIO-HOTGVXAUSA-N 2 1 316.493 3.351 20 0 DGADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980032 620975843 /nfs/dbraw/zinc/97/58/43/620975843.db2.gz IIXJPGTZFLJCIO-HOTGVXAUSA-N 2 1 316.493 3.351 20 0 DGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC=C(C)C)C2)ccn1 ZINC000856583534 621005929 /nfs/dbraw/zinc/00/59/29/621005929.db2.gz JAMGYIHBPKEGED-LJQANCHMSA-N 2 1 317.477 3.343 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC=C(C)C)C2)ccn1 ZINC000856583534 621005934 /nfs/dbraw/zinc/00/59/34/621005934.db2.gz JAMGYIHBPKEGED-LJQANCHMSA-N 2 1 317.477 3.343 20 0 DGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC=C(C)C)C2)ccn1 ZINC000856583534 621005937 /nfs/dbraw/zinc/00/59/37/621005937.db2.gz JAMGYIHBPKEGED-LJQANCHMSA-N 2 1 317.477 3.343 20 0 DGADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCO1 ZINC000922814996 621104083 /nfs/dbraw/zinc/10/40/83/621104083.db2.gz BXKUWPYNKMTZDE-FQEVSTJZSA-N 2 1 316.489 3.242 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857849462 621121893 /nfs/dbraw/zinc/12/18/93/621121893.db2.gz YBBQOXOKDIOYRY-GOSISDBHSA-N 2 1 312.461 3.419 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1(C)C ZINC000922963315 621140242 /nfs/dbraw/zinc/14/02/42/621140242.db2.gz LTXNBYHNGFTERW-PKOBYXMFSA-N 2 1 302.462 3.155 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc1 ZINC000858146763 621157917 /nfs/dbraw/zinc/15/79/17/621157917.db2.gz OVJUILWJCIBLCM-ROUUACIJSA-N 2 1 315.505 3.426 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)CC1(C)C ZINC000858189032 621163288 /nfs/dbraw/zinc/16/32/88/621163288.db2.gz LIOCPZSPDHHJKJ-QFBILLFUSA-N 2 1 312.457 3.336 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc3ccccc32)CC1(C)C ZINC000858189030 621163466 /nfs/dbraw/zinc/16/34/66/621163466.db2.gz LIOCPZSPDHHJKJ-APWZRJJASA-N 2 1 312.457 3.336 20 0 DGADMP C[N@@H+](CCOc1ccccc1F)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923300810 621173434 /nfs/dbraw/zinc/17/34/34/621173434.db2.gz AFOANZLCKGXDJI-MQVJKMGUSA-N 2 1 306.425 3.057 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304734 621173865 /nfs/dbraw/zinc/17/38/65/621173865.db2.gz SXHAPARFDGCGRG-DZGCQCFKSA-N 2 1 320.864 3.244 20 0 DGADMP Fc1ccccc1[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923313422 621174380 /nfs/dbraw/zinc/17/43/80/621174380.db2.gz ZBOWPCNDJOTKBV-IHBAFOEMSA-N 2 1 318.436 3.120 20 0 DGADMP Fc1ccccc1[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923313422 621174381 /nfs/dbraw/zinc/17/43/81/621174381.db2.gz ZBOWPCNDJOTKBV-IHBAFOEMSA-N 2 1 318.436 3.120 20 0 DGADMP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312212 621174383 /nfs/dbraw/zinc/17/43/83/621174383.db2.gz IGBFZRHCGIAHSH-MWDBYQCVSA-N 2 1 314.473 3.369 20 0 DGADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000923313382 621174387 /nfs/dbraw/zinc/17/43/87/621174387.db2.gz GNFRCNRIUUATKJ-CFIQQJQHSA-N 2 1 320.521 3.433 20 0 DGADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](c2ccccc2)CO1 ZINC000923314006 621174415 /nfs/dbraw/zinc/17/44/15/621174415.db2.gz PDFHWBOPIGFNBK-DSLRARGZSA-N 2 1 314.473 3.369 20 0 DGADMP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923312577 621174481 /nfs/dbraw/zinc/17/44/81/621174481.db2.gz KLWFUSVIKBKFRC-GOSISDBHSA-N 2 1 322.880 3.228 20 0 DGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309249 621175339 /nfs/dbraw/zinc/17/53/39/621175339.db2.gz OOISDIXHHHOTMG-OTWHNJEPSA-N 2 1 314.473 3.023 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923349220 621177797 /nfs/dbraw/zinc/17/77/97/621177797.db2.gz QTDGUSAGHVANMW-XHDPSFHLSA-N 2 1 317.260 3.088 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000923480564 621187596 /nfs/dbraw/zinc/18/75/96/621187596.db2.gz JEUVQQXLHYNDGF-NSHDSACASA-N 2 1 323.234 3.366 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923495394 621187674 /nfs/dbraw/zinc/18/76/74/621187674.db2.gz BSIAWDNXGSSONI-ZYHUDNBSSA-N 2 1 315.230 3.005 20 0 DGADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1C[NH3+] ZINC000923488387 621188242 /nfs/dbraw/zinc/18/82/42/621188242.db2.gz FAATUQBYUOIPIH-DZGCQCFKSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923498930 621188544 /nfs/dbraw/zinc/18/85/44/621188544.db2.gz JCHHRXCBEFXQLD-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1C[NH3+] ZINC000923497855 621188606 /nfs/dbraw/zinc/18/86/06/621188606.db2.gz MUDNAMVYFAHWDN-JQWIXIFHSA-N 2 1 315.230 3.005 20 0 DGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923498096 621188624 /nfs/dbraw/zinc/18/86/24/621188624.db2.gz JBHMZPMAMJXWAN-SOUVJXGZSA-N 2 1 314.433 3.023 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1C[NH3+] ZINC000923502445 621188770 /nfs/dbraw/zinc/18/87/70/621188770.db2.gz ZCYWZQOOXYDPQV-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923496899 621188783 /nfs/dbraw/zinc/18/87/83/621188783.db2.gz KDYLJGYCSGJAAK-AAEUAGOBSA-N 2 1 300.418 3.418 20 0 DGADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499369 621189080 /nfs/dbraw/zinc/18/90/80/621189080.db2.gz KBRNIBCNKLKCKG-JHJVBQTASA-N 2 1 322.403 3.409 20 0 DGADMP C[C@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923500848 621189431 /nfs/dbraw/zinc/18/94/31/621189431.db2.gz POEMYMMKKTYLTP-GOEBONIOSA-N 2 1 315.486 3.151 20 0 DGADMP c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)oc1C1CC1 ZINC000923506053 621189667 /nfs/dbraw/zinc/18/96/67/621189667.db2.gz FVMJPWKJVXHPOL-CQSZACIVSA-N 2 1 303.450 3.154 20 0 DGADMP Clc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923504764 621189804 /nfs/dbraw/zinc/18/98/04/621189804.db2.gz DPJGNSAAIUXZBU-LBPRGKRZSA-N 2 1 313.898 3.398 20 0 DGADMP c1oc(C2CC2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508352 621190762 /nfs/dbraw/zinc/19/07/62/621190762.db2.gz USJXYACYHGDPHJ-CQSZACIVSA-N 2 1 303.450 3.154 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491105 621197592 /nfs/dbraw/zinc/19/75/92/621197592.db2.gz YKBUGXDODVDGCF-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(-c2ccccc2)c1 ZINC000858491105 621197593 /nfs/dbraw/zinc/19/75/93/621197593.db2.gz YKBUGXDODVDGCF-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858491142 621197616 /nfs/dbraw/zinc/19/76/16/621197616.db2.gz YWLRETHETUUEEO-MAUKXSAKSA-N 2 1 302.462 3.394 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000858491070 621197751 /nfs/dbraw/zinc/19/77/51/621197751.db2.gz XADJGSBWTNOYFV-YLJYHZDGSA-N 2 1 316.489 3.476 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211671 621260672 /nfs/dbraw/zinc/26/06/72/621260672.db2.gz ADFWEVMRBNXRFT-UHFFFAOYSA-N 2 1 314.477 3.165 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211671 621260674 /nfs/dbraw/zinc/26/06/74/621260674.db2.gz ADFWEVMRBNXRFT-UHFFFAOYSA-N 3 1 314.477 3.165 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211671 621260676 /nfs/dbraw/zinc/26/06/76/621260676.db2.gz ADFWEVMRBNXRFT-UHFFFAOYSA-N 3 1 314.477 3.165 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2F)cc1 ZINC000859214975 621260983 /nfs/dbraw/zinc/26/09/83/621260983.db2.gz WHRSZZHPOOHFIM-IBGZPJMESA-N 2 1 316.420 3.053 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(CO)ccc2F)cc1 ZINC000859214398 621261020 /nfs/dbraw/zinc/26/10/20/621261020.db2.gz YRHJYMOEDISCSN-UHFFFAOYSA-N 2 1 316.420 3.012 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(CO)ccc2F)cc1 ZINC000859214398 621261021 /nfs/dbraw/zinc/26/10/21/621261021.db2.gz YRHJYMOEDISCSN-UHFFFAOYSA-N 2 1 316.420 3.012 20 0 DGADMP CCOC(=O)CC(C)(C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000838806333 621278789 /nfs/dbraw/zinc/27/87/89/621278789.db2.gz HMWOJCQLBRSAHM-UHFFFAOYSA-N 2 1 312.498 3.018 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000838844697 621288773 /nfs/dbraw/zinc/28/87/73/621288773.db2.gz DPPXLDAMGGMVQO-BJLQDIEVSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000838844697 621288775 /nfs/dbraw/zinc/28/87/75/621288775.db2.gz DPPXLDAMGGMVQO-BJLQDIEVSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000838844697 621288778 /nfs/dbraw/zinc/28/87/78/621288778.db2.gz DPPXLDAMGGMVQO-BJLQDIEVSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000838844697 621288780 /nfs/dbraw/zinc/28/87/80/621288780.db2.gz DPPXLDAMGGMVQO-BJLQDIEVSA-N 2 1 316.489 3.306 20 0 DGADMP CCOC(=O)CC(C)(C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000839097259 621328526 /nfs/dbraw/zinc/32/85/26/621328526.db2.gz PTDAXDQALIYDBA-UHFFFAOYSA-N 2 1 320.477 3.159 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc(F)c1C ZINC000862367543 621579966 /nfs/dbraw/zinc/57/99/66/621579966.db2.gz MMMAWPXMOVTZDL-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnc(F)c1C ZINC000862367543 621579967 /nfs/dbraw/zinc/57/99/67/621579967.db2.gz MMMAWPXMOVTZDL-UHFFFAOYSA-N 2 1 304.413 3.200 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cc(-c4ccccc4)cn3)C2)CC1 ZINC000755779744 621593061 /nfs/dbraw/zinc/59/30/61/621593061.db2.gz UILSOQVTWVFQOI-IBGZPJMESA-N 2 1 324.472 3.171 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000756925668 621673291 /nfs/dbraw/zinc/67/32/91/621673291.db2.gz FTXUSEZJCCELFR-XIRDDKMYSA-N 2 1 320.502 3.312 20 0 DGADMP CCSc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000756925668 621673293 /nfs/dbraw/zinc/67/32/93/621673293.db2.gz FTXUSEZJCCELFR-XIRDDKMYSA-N 2 1 320.502 3.312 20 0 DGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+](C)C3CCC3)c2C1 ZINC000863898229 621717025 /nfs/dbraw/zinc/71/70/25/621717025.db2.gz FUEYEPQLVUJGGM-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@H+](C)C3CCC3)c2C1 ZINC000863898229 621717028 /nfs/dbraw/zinc/71/70/28/621717028.db2.gz FUEYEPQLVUJGGM-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@@H+](C)C3CCC3)c2C1 ZINC000863898229 621717029 /nfs/dbraw/zinc/71/70/29/621717029.db2.gz FUEYEPQLVUJGGM-UHFFFAOYSA-N 2 1 315.461 3.081 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865437881 621920903 /nfs/dbraw/zinc/92/09/03/621920903.db2.gz VRLHOCDUUYKHQP-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866262275 622078331 /nfs/dbraw/zinc/07/83/31/622078331.db2.gz PAKKZQOCCAUACI-HNAYVOBHSA-N 2 1 320.452 3.030 20 0 DGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866262274 622078671 /nfs/dbraw/zinc/07/86/71/622078671.db2.gz PAKKZQOCCAUACI-DNVCBOLYSA-N 2 1 320.452 3.030 20 0 DGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762646695 622088794 /nfs/dbraw/zinc/08/87/94/622088794.db2.gz AZHUVYIFAXVAKR-LPHOPBHVSA-N 2 1 302.462 3.073 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866308657 622090129 /nfs/dbraw/zinc/09/01/29/622090129.db2.gz ZJBBBZGOXHLKRJ-MJGOQNOKSA-N 2 1 303.494 3.360 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866313920 622091656 /nfs/dbraw/zinc/09/16/56/622091656.db2.gz JLKOCDAFBPOQJH-NSHDSACASA-N 2 1 305.809 3.394 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+]CCc1c[nH+]cn1C ZINC000866342392 622098108 /nfs/dbraw/zinc/09/81/08/622098108.db2.gz RYAKFODRHVNPLX-OAHLLOKOSA-N 2 1 308.429 3.122 20 0 DGADMP F[C@@H]1COc2ccccc2[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000866365000 622103417 /nfs/dbraw/zinc/10/34/17/622103417.db2.gz UMDMSMMTYRUHDE-SJLPKXTDSA-N 2 1 306.425 3.314 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000866392751 622109688 /nfs/dbraw/zinc/10/96/88/622109688.db2.gz GOVKZSSNYPNKRS-HKUYNNGSSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000866392751 622109691 /nfs/dbraw/zinc/10/96/91/622109691.db2.gz GOVKZSSNYPNKRS-HKUYNNGSSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccn1 ZINC000866392752 622109863 /nfs/dbraw/zinc/10/98/63/622109863.db2.gz GOVKZSSNYPNKRS-IEBWSBKVSA-N 2 1 301.478 3.490 20 0 DGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000866392752 622109865 /nfs/dbraw/zinc/10/98/65/622109865.db2.gz GOVKZSSNYPNKRS-IEBWSBKVSA-N 2 1 301.478 3.490 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC2(CC2)CC1 ZINC000866475567 622124272 /nfs/dbraw/zinc/12/42/72/622124272.db2.gz CMJQSOGXFRFRGX-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000866486721 622125676 /nfs/dbraw/zinc/12/56/76/622125676.db2.gz OYORTISAQKQZOI-DDBAPUKQSA-N 2 1 304.503 3.381 20 0 DGADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000866486721 622125677 /nfs/dbraw/zinc/12/56/77/622125677.db2.gz OYORTISAQKQZOI-DDBAPUKQSA-N 2 1 304.503 3.381 20 0 DGADMP Cc1cc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c2cc1F ZINC000866492917 622126575 /nfs/dbraw/zinc/12/65/75/622126575.db2.gz UVXYEVANSAGBBJ-HIFRSBDPSA-N 2 1 303.425 3.230 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582573 622142147 /nfs/dbraw/zinc/14/21/47/622142147.db2.gz GNERFTUYNJGPNG-INWMFGNUSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582573 622142148 /nfs/dbraw/zinc/14/21/48/622142148.db2.gz GNERFTUYNJGPNG-INWMFGNUSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582573 622142150 /nfs/dbraw/zinc/14/21/50/622142150.db2.gz GNERFTUYNJGPNG-INWMFGNUSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866582573 622142152 /nfs/dbraw/zinc/14/21/52/622142152.db2.gz GNERFTUYNJGPNG-INWMFGNUSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582573 622142153 /nfs/dbraw/zinc/14/21/53/622142153.db2.gz GNERFTUYNJGPNG-INWMFGNUSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582590 622142208 /nfs/dbraw/zinc/14/22/08/622142208.db2.gz GNERFTUYNJGPNG-XPKDYRNWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866582590 622142210 /nfs/dbraw/zinc/14/22/10/622142210.db2.gz GNERFTUYNJGPNG-XPKDYRNWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866582590 622142212 /nfs/dbraw/zinc/14/22/12/622142212.db2.gz GNERFTUYNJGPNG-XPKDYRNWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866582590 622142214 /nfs/dbraw/zinc/14/22/14/622142214.db2.gz GNERFTUYNJGPNG-XPKDYRNWSA-N 2 1 310.388 3.375 20 0 DGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582590 622142215 /nfs/dbraw/zinc/14/22/15/622142215.db2.gz GNERFTUYNJGPNG-XPKDYRNWSA-N 2 1 310.388 3.375 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866635509 622151230 /nfs/dbraw/zinc/15/12/30/622151230.db2.gz RDEJVHXZOHAUBE-OGWHTMIXSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000866635263 622151453 /nfs/dbraw/zinc/15/14/53/622151453.db2.gz OHBDPEVXXGKANV-RUGGUXRKSA-N 2 1 316.489 3.321 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664723 622154310 /nfs/dbraw/zinc/15/43/10/622154310.db2.gz KXHAKQYVLGGXEE-KBPBESRZSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664723 622154312 /nfs/dbraw/zinc/15/43/12/622154312.db2.gz KXHAKQYVLGGXEE-KBPBESRZSA-N 2 1 323.868 3.036 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000866704149 622158108 /nfs/dbraw/zinc/15/81/08/622158108.db2.gz MIBCETTTZHSADJ-QGZVFWFLSA-N 2 1 312.404 3.485 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000866704200 622158134 /nfs/dbraw/zinc/15/81/34/622158134.db2.gz MTQVNWKHYNHQPS-LJQANCHMSA-N 2 1 312.461 3.069 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000866707593 622158726 /nfs/dbraw/zinc/15/87/26/622158726.db2.gz VAZCRQGCMSGWER-QGZVFWFLSA-N 2 1 320.868 3.185 20 0 DGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000866707593 622158729 /nfs/dbraw/zinc/15/87/29/622158729.db2.gz VAZCRQGCMSGWER-QGZVFWFLSA-N 2 1 320.868 3.185 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000765774534 622286470 /nfs/dbraw/zinc/28/64/70/622286470.db2.gz DWKXZRWEKPDDLO-MOPGFXCFSA-N 2 1 309.542 3.353 20 0 DGADMP CCN1CC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000765774534 622286472 /nfs/dbraw/zinc/28/64/72/622286472.db2.gz DWKXZRWEKPDDLO-MOPGFXCFSA-N 2 1 309.542 3.353 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000766138954 622308763 /nfs/dbraw/zinc/30/87/63/622308763.db2.gz HSIRDIHBTPJWCB-KRWDZBQOSA-N 2 1 306.450 3.008 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](C)C1 ZINC000766514535 622335908 /nfs/dbraw/zinc/33/59/08/622335908.db2.gz YKZQSBGZHYEOCT-UGXKVIGPSA-N 3 1 307.526 3.103 20 0 DGADMP CCN1CC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](C)C1 ZINC000766514535 622335911 /nfs/dbraw/zinc/33/59/11/622335911.db2.gz YKZQSBGZHYEOCT-UGXKVIGPSA-N 2 1 307.526 3.103 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000769492606 622533400 /nfs/dbraw/zinc/53/34/00/622533400.db2.gz ALIQWAMGXQWAQD-INIZCTEOSA-N 2 1 318.461 3.153 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000769506894 622535697 /nfs/dbraw/zinc/53/56/97/622535697.db2.gz YBJOZMNUKLXDQO-FQEVSTJZSA-N 2 1 324.468 3.444 20 0 DGADMP CC(C)CSCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784935 622697004 /nfs/dbraw/zinc/69/70/04/622697004.db2.gz AZDDUWOUXQSGFL-GOOCMWNKSA-N 2 1 313.511 3.137 20 0 DGADMP CC(C)CSCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784935 622697008 /nfs/dbraw/zinc/69/70/08/622697008.db2.gz AZDDUWOUXQSGFL-GOOCMWNKSA-N 2 1 313.511 3.137 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000872019099 622755418 /nfs/dbraw/zinc/75/54/18/622755418.db2.gz SMNPNUZVEVCRGU-MOPGFXCFSA-N 2 1 304.478 3.303 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000872151336 622834405 /nfs/dbraw/zinc/83/44/05/622834405.db2.gz VGLMFGSYUQGCQW-HIFRSBDPSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000872151336 622834410 /nfs/dbraw/zinc/83/44/10/622834410.db2.gz VGLMFGSYUQGCQW-HIFRSBDPSA-N 2 1 316.367 3.043 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000872151772 622835423 /nfs/dbraw/zinc/83/54/23/622835423.db2.gz MOIIHKJDMHTHNL-ZFWWWQNUSA-N 2 1 323.362 3.112 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000872151772 622835429 /nfs/dbraw/zinc/83/54/29/622835429.db2.gz MOIIHKJDMHTHNL-ZFWWWQNUSA-N 2 1 323.362 3.112 20 0 DGADMP Cn1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156106 622836237 /nfs/dbraw/zinc/83/62/37/622836237.db2.gz DWFRVDXESSRKAB-BBRMVZONSA-N 2 1 324.900 3.193 20 0 DGADMP Cn1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1Cl ZINC000872156106 622836241 /nfs/dbraw/zinc/83/62/41/622836241.db2.gz DWFRVDXESSRKAB-BBRMVZONSA-N 2 1 324.900 3.193 20 0 DGADMP Nc1cccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156268 622836378 /nfs/dbraw/zinc/83/63/78/622836378.db2.gz HELWEADPBNXEDC-APWZRJJASA-N 2 1 301.478 3.388 20 0 DGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155388 622837514 /nfs/dbraw/zinc/83/75/14/622837514.db2.gz MHIJZJXALBHNCL-MRXNPFEDSA-N 2 1 305.466 3.081 20 0 DGADMP CCn1cc(CC[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158212 622840074 /nfs/dbraw/zinc/84/00/74/622840074.db2.gz TZAASWIGNYAFRZ-VQIMIIECSA-N 2 1 318.509 3.065 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000872251774 622867015 /nfs/dbraw/zinc/86/70/15/622867015.db2.gz MOYCLIVDEADDKA-RBUKOAKNSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872251774 622867021 /nfs/dbraw/zinc/86/70/21/622867021.db2.gz MOYCLIVDEADDKA-RBUKOAKNSA-N 2 1 315.505 3.019 20 0 DGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(F)c(F)c1 ZINC000873202223 623073440 /nfs/dbraw/zinc/07/34/40/623073440.db2.gz OHXSZYXODMNBLO-UHFFFAOYSA-N 2 1 308.397 3.304 20 0 DGADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211321 623076185 /nfs/dbraw/zinc/07/61/85/623076185.db2.gz YNIAGDDKINAGDM-CABZTGNLSA-N 2 1 304.381 3.167 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221173 623079460 /nfs/dbraw/zinc/07/94/60/623079460.db2.gz OCHFZXAZPBRZKH-SQGPQFPESA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221173 623079465 /nfs/dbraw/zinc/07/94/65/623079465.db2.gz OCHFZXAZPBRZKH-SQGPQFPESA-N 3 1 315.505 3.017 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1C ZINC000873223572 623080262 /nfs/dbraw/zinc/08/02/62/623080262.db2.gz OAGHMURHFJLHGH-SFHVURJKSA-N 2 1 306.498 3.107 20 0 DGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873227419 623082078 /nfs/dbraw/zinc/08/20/78/623082078.db2.gz GTKZPKMJZIIKBZ-RISCZKNCSA-N 2 1 312.335 3.310 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232295 623085153 /nfs/dbraw/zinc/08/51/53/623085153.db2.gz DSBAIDOZROGDCF-GOSISDBHSA-N 2 1 324.472 3.479 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000873240541 623087940 /nfs/dbraw/zinc/08/79/40/623087940.db2.gz BBNDWDGHJKHONO-PXNSSMCTSA-N 2 1 317.521 3.045 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283285 623102772 /nfs/dbraw/zinc/10/27/72/623102772.db2.gz PXQFQLPYHQNYPJ-BXKDBHETSA-N 2 1 321.774 3.232 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccnn1C ZINC000774158291 623114088 /nfs/dbraw/zinc/11/40/88/623114088.db2.gz JHHVDLZJUHGAPC-HNNXBMFYSA-N 2 1 304.482 3.115 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccnn1C ZINC000774158317 623114310 /nfs/dbraw/zinc/11/43/10/623114310.db2.gz JHHVDLZJUHGAPC-OAHLLOKOSA-N 2 1 304.482 3.115 20 0 DGADMP COc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC000774346220 623134829 /nfs/dbraw/zinc/13/48/29/623134829.db2.gz FYLQIUVDBQUJMY-AYHJJNSGSA-N 2 1 314.473 3.332 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000774402710 623140497 /nfs/dbraw/zinc/14/04/97/623140497.db2.gz FTBDRNBERPNZOK-VIFPVBQESA-N 2 1 313.232 3.431 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000774682132 623175299 /nfs/dbraw/zinc/17/52/99/623175299.db2.gz FVQJHJMJESDRTE-RRQGHBQHSA-N 2 1 310.869 3.036 20 0 DGADMP C[C@H](SC[C@@H]1CC[NH+](C)C1)[C@H](C)SC[C@H]1CC[N@@H+](C)C1 ZINC000790284140 625627777 /nfs/dbraw/zinc/62/77/77/625627777.db2.gz ULYPEYRDBRYRHC-YHUYYLMFSA-N 2 1 316.580 3.133 20 0 DGADMP C[C@H](SC[C@@H]1CC[N@H+](C)C1)[C@H](C)SC[C@H]1CC[NH+](C)C1 ZINC000790284140 625627784 /nfs/dbraw/zinc/62/77/84/625627784.db2.gz ULYPEYRDBRYRHC-YHUYYLMFSA-N 2 1 316.580 3.133 20 0 DGADMP C[C@H](SC[C@@H]1CC[N@@H+](C)C1)[C@H](C)SC[C@H]1CC[NH+](C)C1 ZINC000790284140 625627789 /nfs/dbraw/zinc/62/77/89/625627789.db2.gz ULYPEYRDBRYRHC-YHUYYLMFSA-N 2 1 316.580 3.133 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000775004150 623214902 /nfs/dbraw/zinc/21/49/02/623214902.db2.gz BDQACGJIBOKVFP-SWLSCSKDSA-N 2 1 311.267 3.330 20 0 DGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cc[nH]n2)ccc1OC ZINC000775385208 623263677 /nfs/dbraw/zinc/26/36/77/623263677.db2.gz JVTFUSCGPLADDK-CQSZACIVSA-N 2 1 316.449 3.111 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000125259950 623409896 /nfs/dbraw/zinc/40/98/96/623409896.db2.gz PXPZSDJBHWOLPJ-MNEFBYGVSA-N 2 1 318.505 3.337 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000777009423 623484584 /nfs/dbraw/zinc/48/45/84/623484584.db2.gz IMSUTXPSIODFPZ-BPLDGKMQSA-N 2 1 322.415 3.196 20 0 DGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(F)(F)F ZINC000777013751 623485265 /nfs/dbraw/zinc/48/52/65/623485265.db2.gz WXZHHCIFFOXGSW-NWANDNLSSA-N 2 1 322.415 3.196 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000777602585 623547430 /nfs/dbraw/zinc/54/74/30/623547430.db2.gz SJSSHFMVURMAMK-APWZRJJASA-N 2 1 319.493 3.302 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000876899737 623740056 /nfs/dbraw/zinc/74/00/56/623740056.db2.gz PTJUYTIPIMKOIJ-XOBRGWDASA-N 2 1 304.415 3.173 20 0 DGADMP ClC1(Cl)C[C@H]1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000876914263 623742856 /nfs/dbraw/zinc/74/28/56/623742856.db2.gz OWMMKYCAMZYOEQ-HNNXBMFYSA-N 2 1 313.272 3.218 20 0 DGADMP ClC1(Cl)C[C@H]1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000876914263 623742862 /nfs/dbraw/zinc/74/28/62/623742862.db2.gz OWMMKYCAMZYOEQ-HNNXBMFYSA-N 2 1 313.272 3.218 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000876916361 623743775 /nfs/dbraw/zinc/74/37/75/623743775.db2.gz RIXSTLCBNWXFGW-NSHDSACASA-N 2 1 318.808 3.412 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000877067620 623782645 /nfs/dbraw/zinc/78/26/45/623782645.db2.gz HJDLOGIIGBWXJW-MJOOSZPOSA-N 2 1 316.426 3.314 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000877067620 623782649 /nfs/dbraw/zinc/78/26/49/623782649.db2.gz HJDLOGIIGBWXJW-MJOOSZPOSA-N 2 1 316.426 3.314 20 0 DGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000877137209 623802813 /nfs/dbraw/zinc/80/28/13/623802813.db2.gz SPPJRJJYJYXAQO-IPMKNSEASA-N 2 1 323.440 3.133 20 0 DGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000877137209 623802821 /nfs/dbraw/zinc/80/28/21/623802821.db2.gz SPPJRJJYJYXAQO-IPMKNSEASA-N 2 1 323.440 3.133 20 0 DGADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877142572 623804605 /nfs/dbraw/zinc/80/46/05/623804605.db2.gz SXDIPVSXWNYEEB-ICSRJNTNSA-N 2 1 315.505 3.286 20 0 DGADMP CN(Cc1cnc2c(F)cccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877516877 623919574 /nfs/dbraw/zinc/91/95/74/623919574.db2.gz FTQIFSADSKOEEY-SJPCQFCGSA-N 2 1 313.420 3.431 20 0 DGADMP C[N@H+](Cc1cnc2c(F)cccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877516877 623919581 /nfs/dbraw/zinc/91/95/81/623919581.db2.gz FTQIFSADSKOEEY-SJPCQFCGSA-N 2 1 313.420 3.431 20 0 DGADMP C[N@@H+](Cc1cnc2c(F)cccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877516877 623919587 /nfs/dbraw/zinc/91/95/87/623919587.db2.gz FTQIFSADSKOEEY-SJPCQFCGSA-N 2 1 313.420 3.431 20 0 DGADMP C[NH+](Cc1cnc2c(F)cccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877516877 623919591 /nfs/dbraw/zinc/91/95/91/623919591.db2.gz FTQIFSADSKOEEY-SJPCQFCGSA-N 2 1 313.420 3.431 20 0 DGADMP C[NH+](Cc1cnc2c(F)cccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877516877 623919596 /nfs/dbraw/zinc/91/95/96/623919596.db2.gz FTQIFSADSKOEEY-SJPCQFCGSA-N 2 1 313.420 3.431 20 0 DGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877521177 623922102 /nfs/dbraw/zinc/92/21/02/623922102.db2.gz RZMLXEASASXNHD-SIFCLUCFSA-N 2 1 304.415 3.173 20 0 DGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877521177 623922105 /nfs/dbraw/zinc/92/21/05/623922105.db2.gz RZMLXEASASXNHD-SIFCLUCFSA-N 2 1 304.415 3.173 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531050 623928303 /nfs/dbraw/zinc/92/83/03/623928303.db2.gz IOVMFHQGJATSIN-RISCZKNCSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531050 623928312 /nfs/dbraw/zinc/92/83/12/623928312.db2.gz IOVMFHQGJATSIN-RISCZKNCSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531050 623928322 /nfs/dbraw/zinc/92/83/22/623928322.db2.gz IOVMFHQGJATSIN-RISCZKNCSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877531050 623928327 /nfs/dbraw/zinc/92/83/27/623928327.db2.gz IOVMFHQGJATSIN-RISCZKNCSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000877585236 623951469 /nfs/dbraw/zinc/95/14/69/623951469.db2.gz QJXFRVLZERTHGL-QZTJIDSGSA-N 2 1 304.478 3.303 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877585751 623952281 /nfs/dbraw/zinc/95/22/81/623952281.db2.gz VWEGLMFCJJQJPL-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877654445 623979474 /nfs/dbraw/zinc/97/94/74/623979474.db2.gz XZIWRBZRPZCBOZ-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877654445 623979475 /nfs/dbraw/zinc/97/94/75/623979475.db2.gz XZIWRBZRPZCBOZ-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP COCC[N@H+](Cc1ccc(SC)cc1)CC1CC[NH+](C)CC1 ZINC000877665155 623983873 /nfs/dbraw/zinc/98/38/73/623983873.db2.gz JSDFCTUCRGTOCM-UHFFFAOYSA-N 2 1 322.518 3.199 20 0 DGADMP COCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)CC1CC[NH+](C)CC1 ZINC000877665325 623983917 /nfs/dbraw/zinc/98/39/17/623983917.db2.gz QWBNLTUVSDMVIX-QAPCUYQASA-N 2 1 320.477 3.193 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744786 624016279 /nfs/dbraw/zinc/01/62/79/624016279.db2.gz XWHWMGKNVVWFDR-UYAOXDASSA-N 2 1 307.441 3.275 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744786 624016286 /nfs/dbraw/zinc/01/62/86/624016286.db2.gz XWHWMGKNVVWFDR-UYAOXDASSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744786 624016290 /nfs/dbraw/zinc/01/62/90/624016290.db2.gz XWHWMGKNVVWFDR-UYAOXDASSA-N 2 1 307.441 3.275 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000877744786 624016294 /nfs/dbraw/zinc/01/62/94/624016294.db2.gz XWHWMGKNVVWFDR-UYAOXDASSA-N 2 1 307.441 3.275 20 0 DGADMP CC(C)C[N@H+](Cc1ccnn1CC1CC1)CC1CC[NH+](C)CC1 ZINC000877767193 624027990 /nfs/dbraw/zinc/02/79/90/624027990.db2.gz BVFWWPYFGJGLHK-UHFFFAOYSA-N 2 1 318.509 3.093 20 0 DGADMP CC(C)C[N@H+](Cc1[nH]nc2ccccc21)CC1CC[NH+](C)CC1 ZINC000877767611 624028465 /nfs/dbraw/zinc/02/84/65/624028465.db2.gz PLGCSEDXVAPORW-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP CC(C)C[N@@H+](Cc1n[nH]c2ccccc21)CC1CC[NH+](C)CC1 ZINC000877767611 624028468 /nfs/dbraw/zinc/02/84/68/624028468.db2.gz PLGCSEDXVAPORW-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP CC(C)C[N@H+](Cc1n[nH]c2ccccc21)CC1CC[NH+](C)CC1 ZINC000877767611 624028471 /nfs/dbraw/zinc/02/84/71/624028471.db2.gz PLGCSEDXVAPORW-UHFFFAOYSA-N 2 1 314.477 3.363 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H]1CCSC1)C2 ZINC000877816110 624047905 /nfs/dbraw/zinc/04/79/05/624047905.db2.gz DAUBGSDIAJXVSI-QRVBRYPASA-N 2 1 316.514 3.193 20 0 DGADMP C[C@]12C[NH+](C[C@H]3CCSC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877816110 624047906 /nfs/dbraw/zinc/04/79/06/624047906.db2.gz DAUBGSDIAJXVSI-QRVBRYPASA-N 2 1 316.514 3.193 20 0 DGADMP C[C@]12C[NH+](C[C@H]3CCSC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877816110 624047907 /nfs/dbraw/zinc/04/79/07/624047907.db2.gz DAUBGSDIAJXVSI-QRVBRYPASA-N 2 1 316.514 3.193 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000877977476 624121710 /nfs/dbraw/zinc/12/17/10/624121710.db2.gz YERRNVVMPICPFO-UHFFFAOYSA-N 2 1 310.404 3.357 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)CC1 ZINC000878018031 624137082 /nfs/dbraw/zinc/13/70/82/624137082.db2.gz QMODZONRNWTEOG-LWYYNNOASA-N 2 1 320.521 3.388 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000878163554 624196155 /nfs/dbraw/zinc/19/61/55/624196155.db2.gz UIWKNWDTYMKXAI-NXWXRZEISA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC[N@H+]1C ZINC000878163554 624196159 /nfs/dbraw/zinc/19/61/59/624196159.db2.gz UIWKNWDTYMKXAI-NXWXRZEISA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163554 624196161 /nfs/dbraw/zinc/19/61/61/624196161.db2.gz UIWKNWDTYMKXAI-NXWXRZEISA-N 2 1 302.462 3.321 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC[NH+]1C ZINC000878163554 624196165 /nfs/dbraw/zinc/19/61/65/624196165.db2.gz UIWKNWDTYMKXAI-NXWXRZEISA-N 2 1 302.462 3.321 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878198718 624212003 /nfs/dbraw/zinc/21/20/03/624212003.db2.gz YHOUMMRBHMHMLZ-FUMNGEBKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878198718 624212006 /nfs/dbraw/zinc/21/20/06/624212006.db2.gz YHOUMMRBHMHMLZ-FUMNGEBKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878198718 624212008 /nfs/dbraw/zinc/21/20/08/624212008.db2.gz YHOUMMRBHMHMLZ-FUMNGEBKSA-N 2 1 314.473 3.323 20 0 DGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184962 624216889 /nfs/dbraw/zinc/21/68/89/624216889.db2.gz VCDGEWSUWJUNNF-IBGZPJMESA-N 2 1 302.462 3.346 20 0 DGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000878286720 624235653 /nfs/dbraw/zinc/23/56/53/624235653.db2.gz RVKCPMXVVLMOLB-KBAYOESNSA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)O1 ZINC000878286720 624235654 /nfs/dbraw/zinc/23/56/54/624235654.db2.gz RVKCPMXVVLMOLB-KBAYOESNSA-N 2 1 306.494 3.283 20 0 DGADMP CC1(C)CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)O1 ZINC000878286720 624235655 /nfs/dbraw/zinc/23/56/55/624235655.db2.gz RVKCPMXVVLMOLB-KBAYOESNSA-N 2 1 306.494 3.283 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878287500 624236554 /nfs/dbraw/zinc/23/65/54/624236554.db2.gz FGIWJCDQSXPSPF-OALUTQOASA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878287500 624236557 /nfs/dbraw/zinc/23/65/57/624236557.db2.gz FGIWJCDQSXPSPF-OALUTQOASA-N 2 1 313.445 3.434 20 0 DGADMP C[C@H]([NH2+]CCCOC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411390 624270986 /nfs/dbraw/zinc/27/09/86/624270986.db2.gz JBPAVIKDIVOWPX-QWHCGFSZSA-N 2 1 308.388 3.156 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878513205 624295179 /nfs/dbraw/zinc/29/51/79/624295179.db2.gz XQTLNKGKYBTFNH-QYZOEREBSA-N 2 1 302.462 3.323 20 0 DGADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)nc3Cl)C2)CC1 ZINC000878866156 624375658 /nfs/dbraw/zinc/37/56/58/624375658.db2.gz IZXQVNHZVUAPDI-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)nc3Cl)C2)CC1 ZINC000878866156 624375663 /nfs/dbraw/zinc/37/56/63/624375663.db2.gz IZXQVNHZVUAPDI-UHFFFAOYSA-N 2 1 314.260 3.306 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000784381604 624515678 /nfs/dbraw/zinc/51/56/78/624515678.db2.gz UQPIUEGXDZZMSK-AZUAARDMSA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000784381604 624515681 /nfs/dbraw/zinc/51/56/81/624515681.db2.gz UQPIUEGXDZZMSK-AZUAARDMSA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000784381604 624515687 /nfs/dbraw/zinc/51/56/87/624515687.db2.gz UQPIUEGXDZZMSK-AZUAARDMSA-N 2 1 315.505 3.380 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570834 624593588 /nfs/dbraw/zinc/59/35/88/624593588.db2.gz JIIICXWBGAYVKA-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570834 624593591 /nfs/dbraw/zinc/59/35/91/624593591.db2.gz JIIICXWBGAYVKA-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570834 624593596 /nfs/dbraw/zinc/59/35/96/624593596.db2.gz JIIICXWBGAYVKA-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570834 624593598 /nfs/dbraw/zinc/59/35/98/624593598.db2.gz JIIICXWBGAYVKA-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000879570834 624593600 /nfs/dbraw/zinc/59/36/00/624593600.db2.gz JIIICXWBGAYVKA-YOEHRIQHSA-N 2 1 308.853 3.135 20 0 DGADMP CC(=O)c1c(C)cc(C)c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000879569018 624594529 /nfs/dbraw/zinc/59/45/29/624594529.db2.gz HNBNBHIXICPGLH-PKOBYXMFSA-N 2 1 314.473 3.340 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](CCCc2ccncc2)CC1 ZINC000879950209 624729324 /nfs/dbraw/zinc/72/93/24/624729324.db2.gz JLECCERPYWMNCH-UHFFFAOYSA-N 2 1 301.478 3.355 20 0 DGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)nc1 ZINC000880102480 624788335 /nfs/dbraw/zinc/78/83/35/624788335.db2.gz DEUBAINICWXRIM-NSHDSACASA-N 2 1 312.339 3.117 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000880472498 624964770 /nfs/dbraw/zinc/96/47/70/624964770.db2.gz QVLVNBGISZPFMO-UHFFFAOYSA-N 2 1 308.466 3.478 20 0 DGADMP Cc1ccc([C@H](O)C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000880517399 624971136 /nfs/dbraw/zinc/97/11/36/624971136.db2.gz QAVXLTMQAHABNT-LJQANCHMSA-N 2 1 304.478 3.226 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574384 624980758 /nfs/dbraw/zinc/98/07/58/624980758.db2.gz LFZHVTLRLSCZCE-RTBURBONSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574384 624980760 /nfs/dbraw/zinc/98/07/60/624980760.db2.gz LFZHVTLRLSCZCE-RTBURBONSA-N 2 1 308.510 3.390 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574384 624980763 /nfs/dbraw/zinc/98/07/63/624980763.db2.gz LFZHVTLRLSCZCE-RTBURBONSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000788482838 625193676 /nfs/dbraw/zinc/19/36/76/625193676.db2.gz YLTBRWALTQIGAX-IBGZPJMESA-N 2 1 322.468 3.159 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595714 625223378 /nfs/dbraw/zinc/22/33/78/625223378.db2.gz VCILGKLEPMKPQJ-HIFRSBDPSA-N 2 1 307.869 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788595714 625223384 /nfs/dbraw/zinc/22/33/84/625223384.db2.gz VCILGKLEPMKPQJ-HIFRSBDPSA-N 2 1 307.869 3.432 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000882817207 625825637 /nfs/dbraw/zinc/82/56/37/625825637.db2.gz RKRWJOAFYYYKNI-UHFFFAOYSA-N 2 1 317.477 3.117 20 0 DGADMP CC(C)c1c[nH]c(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000883107217 625929207 /nfs/dbraw/zinc/92/92/07/625929207.db2.gz RKLPMKNFRABONN-KRWDZBQOSA-N 2 1 312.461 3.145 20 0 DGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000796799215 626084240 /nfs/dbraw/zinc/08/42/40/626084240.db2.gz SYDBPEBBGNUVGV-GUDVDZBRSA-N 2 1 302.462 3.226 20 0 DGADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592722 626156878 /nfs/dbraw/zinc/15/68/78/626156878.db2.gz AJQZLVUIYBRXGL-NVXWUHKLSA-N 2 1 319.880 3.492 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)CC1 ZINC000798957088 626262240 /nfs/dbraw/zinc/26/22/40/626262240.db2.gz MYCLWINEYUYZEX-UHFFFAOYSA-N 2 1 305.491 3.328 20 0 DGADMP CC(C)OC[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000800272010 626345970 /nfs/dbraw/zinc/34/59/70/626345970.db2.gz YYTJXDQJLOEXHE-MJGOQNOKSA-N 2 1 304.478 3.302 20 0 DGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000800972006 626387136 /nfs/dbraw/zinc/38/71/36/626387136.db2.gz ZXWQZSQVAHZSRJ-JQHSSLGASA-N 2 1 312.473 3.138 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC4(CC4)C3)cc2)C1 ZINC000883234716 626618410 /nfs/dbraw/zinc/61/84/10/626618410.db2.gz KUCKMKMPAPTGNR-RTBURBONSA-N 2 1 314.473 3.066 20 0 DGADMP CSCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131614859 626659741 /nfs/dbraw/zinc/65/97/41/626659741.db2.gz WNOCBKFJKCHQCX-MRXNPFEDSA-N 2 1 306.519 3.425 20 0 DGADMP c1cn(C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)cn1 ZINC000883386859 626668599 /nfs/dbraw/zinc/66/85/99/626668599.db2.gz NUZBDFMFSOHBCW-HXUWFJFHSA-N 2 1 324.472 3.088 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883424145 626679241 /nfs/dbraw/zinc/67/92/41/626679241.db2.gz IAHZNCDLIRDRAO-RBUKOAKNSA-N 2 1 302.462 3.371 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424369 626679358 /nfs/dbraw/zinc/67/93/58/626679358.db2.gz PMXLUMFGXYZTOR-WTGUMLROSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@@H]1C[NH3+] ZINC000883432290 626680691 /nfs/dbraw/zinc/68/06/91/626680691.db2.gz OUSBBJDFLLBBIK-XGXHKWSGSA-N 2 1 302.462 3.214 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883434828 626681065 /nfs/dbraw/zinc/68/10/65/626681065.db2.gz BWQWPQNWXUIUFJ-BEVRRMAYSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883434828 626681071 /nfs/dbraw/zinc/68/10/71/626681071.db2.gz BWQWPQNWXUIUFJ-BEVRRMAYSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000883433967 626681566 /nfs/dbraw/zinc/68/15/66/626681566.db2.gz CZHGMZHSFIHVTM-JJXSEGSLSA-N 2 1 316.436 3.030 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000883441265 626683252 /nfs/dbraw/zinc/68/32/52/626683252.db2.gz KRZZPCSDXMZSFV-WBVHZDCISA-N 2 1 305.466 3.411 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000883441264 626683278 /nfs/dbraw/zinc/68/32/78/626683278.db2.gz KRZZPCSDXMZSFV-RDJZCZTQSA-N 2 1 305.466 3.411 20 0 DGADMP [NH3+]CCCCCCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000883462698 626687228 /nfs/dbraw/zinc/68/72/28/626687228.db2.gz XLSAZEJIGRBRJP-GOSISDBHSA-N 2 1 301.478 3.380 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2cc1C ZINC000840088237 626752568 /nfs/dbraw/zinc/75/25/68/626752568.db2.gz YJMSYNUCPMHEQC-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)c2cc1C ZINC000840088237 626752573 /nfs/dbraw/zinc/75/25/73/626752573.db2.gz YJMSYNUCPMHEQC-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000840088237 626752575 /nfs/dbraw/zinc/75/25/75/626752575.db2.gz YJMSYNUCPMHEQC-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP Cc1cc2ncn(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000840088237 626752582 /nfs/dbraw/zinc/75/25/82/626752582.db2.gz YJMSYNUCPMHEQC-IBGZPJMESA-N 2 1 312.461 3.028 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC2CCOCC2)cc1 ZINC000809738814 626943920 /nfs/dbraw/zinc/94/39/20/626943920.db2.gz KYLIXNKSXCZCDL-UHFFFAOYSA-N 2 1 304.478 3.387 20 0 DGADMP CCOCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000809752312 626946675 /nfs/dbraw/zinc/94/66/75/626946675.db2.gz ATPZMLIZHJAKRA-UHFFFAOYSA-N 2 1 317.433 3.086 20 0 DGADMP CCOCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000809752312 626946677 /nfs/dbraw/zinc/94/66/77/626946677.db2.gz ATPZMLIZHJAKRA-UHFFFAOYSA-N 2 1 317.433 3.086 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)oc21 ZINC000809767086 626949501 /nfs/dbraw/zinc/94/95/01/626949501.db2.gz GBNWGTMVQMBWHQ-WBVHZDCISA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)oc21 ZINC000809767086 626949505 /nfs/dbraw/zinc/94/95/05/626949505.db2.gz GBNWGTMVQMBWHQ-WBVHZDCISA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)oc21 ZINC000809767086 626949509 /nfs/dbraw/zinc/94/95/09/626949509.db2.gz GBNWGTMVQMBWHQ-WBVHZDCISA-N 2 1 314.429 3.358 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000885924914 627061302 /nfs/dbraw/zinc/06/13/02/627061302.db2.gz YWDCJAXVCWVIPX-GJZGRUSLSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000885924914 627061306 /nfs/dbraw/zinc/06/13/06/627061306.db2.gz YWDCJAXVCWVIPX-GJZGRUSLSA-N 2 1 310.388 3.047 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885954438 627068336 /nfs/dbraw/zinc/06/83/36/627068336.db2.gz YCOPNGVBAUKMCK-AWEZNQCLSA-N 2 1 312.404 3.150 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000885954438 627068338 /nfs/dbraw/zinc/06/83/38/627068338.db2.gz YCOPNGVBAUKMCK-AWEZNQCLSA-N 2 1 312.404 3.150 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885960974 627070914 /nfs/dbraw/zinc/07/09/14/627070914.db2.gz RWNDCANQCBEOPX-RTBURBONSA-N 2 1 308.510 3.388 20 0 DGADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000885985433 627076423 /nfs/dbraw/zinc/07/64/23/627076423.db2.gz IADVVHXNDBRBFQ-FHWLQOOXSA-N 2 1 306.494 3.001 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000886081682 627100156 /nfs/dbraw/zinc/10/01/56/627100156.db2.gz VKPDHSZXOIROQH-BHIYHBOVSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000886081682 627100157 /nfs/dbraw/zinc/10/01/57/627100157.db2.gz VKPDHSZXOIROQH-BHIYHBOVSA-N 2 1 318.505 3.284 20 0 DGADMP C([C@H]1CCC2(CCC2)CO1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081682 627100159 /nfs/dbraw/zinc/10/01/59/627100159.db2.gz VKPDHSZXOIROQH-BHIYHBOVSA-N 2 1 318.505 3.284 20 0 DGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000886151297 627113277 /nfs/dbraw/zinc/11/32/77/627113277.db2.gz GWTSHHLGLUNHOX-WTGUMLROSA-N 2 1 316.489 3.269 20 0 DGADMP C[N@H+]1C[C@@H](CNCc2ccc(Cl)cn2)[C@H](c2ccccc2)C1 ZINC000886151606 627113376 /nfs/dbraw/zinc/11/33/76/627113376.db2.gz NTFSMKHRYBSSQU-QAPCUYQASA-N 2 1 315.848 3.170 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(Cl)cn2)[C@H](c2ccccc2)C1 ZINC000886151606 627113377 /nfs/dbraw/zinc/11/33/77/627113377.db2.gz NTFSMKHRYBSSQU-QAPCUYQASA-N 2 1 315.848 3.170 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(Cl)cn2)[C@H](c2ccccc2)C1 ZINC000886151606 627113379 /nfs/dbraw/zinc/11/33/79/627113379.db2.gz NTFSMKHRYBSSQU-QAPCUYQASA-N 2 1 315.848 3.170 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886202909 627120666 /nfs/dbraw/zinc/12/06/66/627120666.db2.gz HSACDZNHGFFNIN-DAABDDCCSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000886202909 627120668 /nfs/dbraw/zinc/12/06/68/627120668.db2.gz HSACDZNHGFFNIN-DAABDDCCSA-N 2 1 316.489 3.396 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000886202909 627120671 /nfs/dbraw/zinc/12/06/71/627120671.db2.gz HSACDZNHGFFNIN-DAABDDCCSA-N 2 1 316.489 3.396 20 0 DGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886313952 627135245 /nfs/dbraw/zinc/13/52/45/627135245.db2.gz IDFOODONNWXGMV-ZWKOTPCHSA-N 2 1 306.494 3.284 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886522664 627156732 /nfs/dbraw/zinc/15/67/32/627156732.db2.gz OKRQCMLGXCAWCT-HDYDNRTBSA-N 3 1 321.553 3.494 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000886522405 627156853 /nfs/dbraw/zinc/15/68/53/627156853.db2.gz ILZGHVATQQWACN-LJQANCHMSA-N 2 1 314.477 3.359 20 0 DGADMP Cn1cncc1CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619017 627174506 /nfs/dbraw/zinc/17/45/06/627174506.db2.gz QMCCGRCSARARHD-JSGCOSHPSA-N 2 1 301.356 3.017 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619017 627174509 /nfs/dbraw/zinc/17/45/09/627174509.db2.gz QMCCGRCSARARHD-JSGCOSHPSA-N 2 1 301.356 3.017 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619017 627174510 /nfs/dbraw/zinc/17/45/10/627174510.db2.gz QMCCGRCSARARHD-JSGCOSHPSA-N 2 1 301.356 3.017 20 0 DGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886622673 627175250 /nfs/dbraw/zinc/17/52/50/627175250.db2.gz ZYQNPOKDZZAUDB-UHFFFAOYSA-N 3 1 307.526 3.248 20 0 DGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886622673 627175253 /nfs/dbraw/zinc/17/52/53/627175253.db2.gz ZYQNPOKDZZAUDB-UHFFFAOYSA-N 3 1 307.526 3.248 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CC4(CCC4)CO3)CC2)[nH+]c1C ZINC000886659071 627182496 /nfs/dbraw/zinc/18/24/96/627182496.db2.gz BTDUIAOOEISZQA-INIZCTEOSA-N 2 1 303.450 3.165 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)[nH+]c1C ZINC000886666233 627184137 /nfs/dbraw/zinc/18/41/37/627184137.db2.gz PFXYECAAJMEPTM-GOSISDBHSA-N 2 1 313.445 3.248 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4ncccn4)C3)cc2)cn1 ZINC000886683127 627189382 /nfs/dbraw/zinc/18/93/82/627189382.db2.gz XRXWSWPGYCGSLX-KRWDZBQOSA-N 2 1 319.412 3.042 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000886858028 627211273 /nfs/dbraw/zinc/21/12/73/627211273.db2.gz JTCDMUUHSYYKNY-HZPDHXFCSA-N 2 1 307.507 3.096 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000886858026 627211478 /nfs/dbraw/zinc/21/14/78/627211478.db2.gz JTCDMUUHSYYKNY-CVEARBPZSA-N 2 1 307.507 3.096 20 0 DGADMP c1c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000886870488 627211670 /nfs/dbraw/zinc/21/16/70/627211670.db2.gz ZDVQVYLGIWKOAM-LJQANCHMSA-N 2 1 311.429 3.307 20 0 DGADMP c1c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000886870488 627211671 /nfs/dbraw/zinc/21/16/71/627211671.db2.gz ZDVQVYLGIWKOAM-LJQANCHMSA-N 2 1 311.429 3.307 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCC1CCOCC1 ZINC000887134479 627227668 /nfs/dbraw/zinc/22/76/68/627227668.db2.gz KKGNDRXWYMFUFD-KRWDZBQOSA-N 2 1 317.477 3.189 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854718 627430828 /nfs/dbraw/zinc/43/08/28/627430828.db2.gz VSVYRDVSLBMSLH-PKOBYXMFSA-N 2 1 304.478 3.306 20 0 DGADMP c1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCOCC2)cc1 ZINC000925496382 627573852 /nfs/dbraw/zinc/57/38/52/627573852.db2.gz BAFQRPZHOYETCT-QZTJIDSGSA-N 2 1 300.446 3.029 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056522 627620438 /nfs/dbraw/zinc/62/04/38/627620438.db2.gz DTDDQZRECMTDHS-HYVNUMGLSA-N 2 1 316.445 3.271 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056522 627620442 /nfs/dbraw/zinc/62/04/42/627620442.db2.gz DTDDQZRECMTDHS-HYVNUMGLSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056522 627620443 /nfs/dbraw/zinc/62/04/43/627620443.db2.gz DTDDQZRECMTDHS-HYVNUMGLSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000815056522 627620448 /nfs/dbraw/zinc/62/04/48/627620448.db2.gz DTDDQZRECMTDHS-HYVNUMGLSA-N 2 1 316.445 3.271 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000924687585 627667244 /nfs/dbraw/zinc/66/72/44/627667244.db2.gz WFEHGLHZOBHODJ-BBWFWOEESA-N 2 1 321.513 3.268 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924689548 627667866 /nfs/dbraw/zinc/66/78/66/627667866.db2.gz YOZARYGFZJAIPA-IAGOWNOFSA-N 2 1 318.509 3.382 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000924687828 627667934 /nfs/dbraw/zinc/66/79/34/627667934.db2.gz QBAPKDMUYMYLPV-GUDVDZBRSA-N 2 1 310.526 3.419 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924689591 627668166 /nfs/dbraw/zinc/66/81/66/627668166.db2.gz YSOYPSNUSZOHIR-QRQLOZEOSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698595 627669403 /nfs/dbraw/zinc/66/94/03/627669403.db2.gz MUMOCDMZETWXLW-IPELMVKDSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698595 627669405 /nfs/dbraw/zinc/66/94/05/627669405.db2.gz MUMOCDMZETWXLW-IPELMVKDSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+](C)C)c1 ZINC000924698595 627669409 /nfs/dbraw/zinc/66/94/09/627669409.db2.gz MUMOCDMZETWXLW-IPELMVKDSA-N 2 1 301.478 3.026 20 0 DGADMP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924718527 627672768 /nfs/dbraw/zinc/67/27/68/627672768.db2.gz ZJGLHGJWOTZEOY-DLBZAZTESA-N 2 1 303.494 3.131 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924754541 627676170 /nfs/dbraw/zinc/67/61/70/627676170.db2.gz UCYMUHHCFFLJDN-CVEARBPZSA-N 2 1 304.478 3.297 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)on1 ZINC000924828901 627685038 /nfs/dbraw/zinc/68/50/38/627685038.db2.gz LWJPIZADOLRDRL-AWEZNQCLSA-N 2 1 317.433 3.374 20 0 DGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)on1 ZINC000924828901 627685040 /nfs/dbraw/zinc/68/50/40/627685040.db2.gz LWJPIZADOLRDRL-AWEZNQCLSA-N 2 1 317.433 3.374 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873423 627689285 /nfs/dbraw/zinc/68/92/85/627689285.db2.gz LDKCDGSFRCSATL-HUUCEWRRSA-N 2 1 316.474 3.101 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnnc1 ZINC000924873423 627689288 /nfs/dbraw/zinc/68/92/88/627689288.db2.gz LDKCDGSFRCSATL-HUUCEWRRSA-N 2 1 316.474 3.101 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924931694 627695090 /nfs/dbraw/zinc/69/50/90/627695090.db2.gz KAJFBSGSBJXGQK-XUBOLADHSA-N 2 1 316.489 3.239 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924948615 627696409 /nfs/dbraw/zinc/69/64/09/627696409.db2.gz DWZYMBCKJJILKC-JKSUJKDBSA-N 3 1 314.477 3.240 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924952134 627696468 /nfs/dbraw/zinc/69/64/68/627696468.db2.gz NATBDJYSCWSDCJ-GJZGRUSLSA-N 2 1 315.465 3.175 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958194 627697988 /nfs/dbraw/zinc/69/79/88/627697988.db2.gz CTRLFAQEWOOJFQ-CVEARBPZSA-N 2 1 305.466 3.251 20 0 DGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958194 627697992 /nfs/dbraw/zinc/69/79/92/627697992.db2.gz CTRLFAQEWOOJFQ-CVEARBPZSA-N 2 1 305.466 3.251 20 0 DGADMP Cc1ccc([C@H](NC[C@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012013 627700991 /nfs/dbraw/zinc/70/09/91/627700991.db2.gz UMWAITZAAHJCBR-XLIONFOSSA-N 2 1 309.457 3.411 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2[nH]1 ZINC000925024493 627702132 /nfs/dbraw/zinc/70/21/32/627702132.db2.gz VNFINLVBYVYBCO-DOTOQJQBSA-N 2 1 315.461 3.055 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000925135336 627711616 /nfs/dbraw/zinc/71/16/16/627711616.db2.gz WIGGHZTYYKJQHU-LJQANCHMSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@@H](CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000925202592 627718308 /nfs/dbraw/zinc/71/83/08/627718308.db2.gz IJAROIQCJSNOCG-MJQMVNBJSA-N 2 1 304.478 3.158 20 0 DGADMP CC(C)(C)[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000925388096 627732238 /nfs/dbraw/zinc/73/22/38/627732238.db2.gz SRYPZRXPJNBDFV-QGZVFWFLSA-N 2 1 308.510 3.436 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925490041 627742037 /nfs/dbraw/zinc/74/20/37/627742037.db2.gz AFHUEJZQMNAOSH-CEXWTWQISA-N 2 1 315.505 3.005 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925490041 627742041 /nfs/dbraw/zinc/74/20/41/627742041.db2.gz AFHUEJZQMNAOSH-CEXWTWQISA-N 3 1 315.505 3.005 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925490041 627742046 /nfs/dbraw/zinc/74/20/46/627742046.db2.gz AFHUEJZQMNAOSH-CEXWTWQISA-N 3 1 315.505 3.005 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509553 627744259 /nfs/dbraw/zinc/74/42/59/627744259.db2.gz PBABKJBIFHXYCB-SQNIBIBYSA-N 2 1 300.446 3.268 20 0 DGADMP C[C@@H](N)[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541029 627750655 /nfs/dbraw/zinc/75/06/55/627750655.db2.gz GZYDRBXHYTXCQL-WQUXRXDGSA-N 2 1 315.505 3.462 20 0 DGADMP C[C@H]([NH3+])[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553010 627753367 /nfs/dbraw/zinc/75/33/67/627753367.db2.gz MISIXDGOSZCKLV-LNLFQRSKSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553010 627753369 /nfs/dbraw/zinc/75/33/69/627753369.db2.gz MISIXDGOSZCKLV-LNLFQRSKSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553010 627753374 /nfs/dbraw/zinc/75/33/74/627753374.db2.gz MISIXDGOSZCKLV-LNLFQRSKSA-N 2 1 303.494 3.319 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559407 627754598 /nfs/dbraw/zinc/75/45/98/627754598.db2.gz UHHHEHYMSSLOKF-KSZLIROESA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559407 627754602 /nfs/dbraw/zinc/75/46/02/627754602.db2.gz UHHHEHYMSSLOKF-KSZLIROESA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559407 627754606 /nfs/dbraw/zinc/75/46/06/627754606.db2.gz UHHHEHYMSSLOKF-KSZLIROESA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(CO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925575198 627757378 /nfs/dbraw/zinc/75/73/78/627757378.db2.gz QVIOPIJJCPBALO-YQQQUEKLSA-N 2 1 316.489 3.180 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925607214 627762033 /nfs/dbraw/zinc/76/20/33/627762033.db2.gz ARUGZWOCKICJCQ-ROUUACIJSA-N 2 1 317.477 3.128 20 0 DGADMP CCCOc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925615796 627763014 /nfs/dbraw/zinc/76/30/14/627763014.db2.gz ICPKLISDOSBXMX-MSOLQXFVSA-N 2 1 317.477 3.128 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616157 627763648 /nfs/dbraw/zinc/76/36/48/627763648.db2.gz KJZMYKQKRDXLLS-ICSRJNTNSA-N 3 1 317.521 3.424 20 0 DGADMP COCCCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000925664219 627773537 /nfs/dbraw/zinc/77/35/37/627773537.db2.gz XFYXZFZMEYAXOS-GFLQDLJJSA-N 2 1 314.473 3.130 20 0 DGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925687957 627776599 /nfs/dbraw/zinc/77/65/99/627776599.db2.gz CXVARUBVWOLUDR-HSCHXYMDSA-N 2 1 310.441 3.477 20 0 DGADMP FC(F)n1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c2ccccc21 ZINC000925719372 627781043 /nfs/dbraw/zinc/78/10/43/627781043.db2.gz SYZAZOIFPGNEMI-UAAIKXFESA-N 2 1 317.383 3.122 20 0 DGADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000925722661 627782052 /nfs/dbraw/zinc/78/20/52/627782052.db2.gz MZZLZKSBQJYDJO-TTYHFUOFSA-N 2 1 310.441 3.442 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(C)(C)[NH3+])CC1 ZINC000925739577 627785135 /nfs/dbraw/zinc/78/51/35/627785135.db2.gz ZEPSNPRDMNUGKJ-UHFFFAOYSA-N 3 1 303.494 3.147 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000925741756 627785999 /nfs/dbraw/zinc/78/59/99/627785999.db2.gz MHIRGCQRBHQHKP-GUDVDZBRSA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000925741756 627786003 /nfs/dbraw/zinc/78/60/03/627786003.db2.gz MHIRGCQRBHQHKP-GUDVDZBRSA-N 3 1 315.505 3.004 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000925741756 627786006 /nfs/dbraw/zinc/78/60/06/627786006.db2.gz MHIRGCQRBHQHKP-GUDVDZBRSA-N 3 1 315.505 3.004 20 0 DGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCCC13CCCCC3)C2 ZINC000925750361 627787088 /nfs/dbraw/zinc/78/70/88/627787088.db2.gz QQVLWDLRYCWAKR-HNNXBMFYSA-N 2 1 305.491 3.463 20 0 DGADMP CC[C@@H](c1ccc(C)cc1)N1CCc2sc(CN)nc2C1 ZINC000925752354 627787722 /nfs/dbraw/zinc/78/77/22/627787722.db2.gz UAPUFRXAUJTBJF-HNNXBMFYSA-N 2 1 301.459 3.420 20 0 DGADMP Fc1cc(F)cc(C(F)(F)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000925759429 627790030 /nfs/dbraw/zinc/79/00/30/627790030.db2.gz OIWMJLIDJHNGHT-JRPNMDOOSA-N 2 1 316.342 3.034 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000925760237 627790448 /nfs/dbraw/zinc/79/04/48/627790448.db2.gz VRGTVZRGJCLVAW-OAHLLOKOSA-N 2 1 312.461 3.445 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000925770433 627792166 /nfs/dbraw/zinc/79/21/66/627792166.db2.gz TXRYUJLRGMUWLF-AKHDSKFASA-N 2 1 302.462 3.275 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000925799526 627796973 /nfs/dbraw/zinc/79/69/73/627796973.db2.gz VOUMXIYGACJCRA-SJLPKXTDSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)no1 ZINC000925810507 627798318 /nfs/dbraw/zinc/79/83/18/627798318.db2.gz ALPPEQMQBLNEFE-DZGCQCFKSA-N 2 1 308.385 3.204 20 0 DGADMP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCCN1 ZINC000925821711 627800960 /nfs/dbraw/zinc/80/09/60/627800960.db2.gz HWRFIOATMZYRQA-QGLXBCBXSA-N 2 1 307.526 3.294 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)CC2)C1 ZINC000925845136 627804997 /nfs/dbraw/zinc/80/49/97/627804997.db2.gz XEOKYOFZYFHKRY-MTFMMBMASA-N 3 1 319.537 3.151 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925845161 627805227 /nfs/dbraw/zinc/80/52/27/627805227.db2.gz XIKWEUGJMALMHA-GSEOLPGOSA-N 3 1 319.537 3.151 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccnnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926112441 627845478 /nfs/dbraw/zinc/84/54/78/627845478.db2.gz VBYJWDXADXCIRZ-FCEWJHQRSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1ccnnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112441 627845481 /nfs/dbraw/zinc/84/54/81/627845481.db2.gz VBYJWDXADXCIRZ-FCEWJHQRSA-N 2 1 310.445 3.038 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926124898 627848047 /nfs/dbraw/zinc/84/80/47/627848047.db2.gz HGKFRZMSALEVPB-XBPNIJIESA-N 2 1 316.489 3.321 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000926288437 627874887 /nfs/dbraw/zinc/87/48/87/627874887.db2.gz VITLTBKDDAJTHJ-HOTGVXAUSA-N 2 1 315.461 3.319 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926325802 627880282 /nfs/dbraw/zinc/88/02/82/627880282.db2.gz NKXPLVXKWNBZRJ-SLFFLAALSA-N 2 1 316.489 3.159 20 0 DGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000926350749 627883100 /nfs/dbraw/zinc/88/31/00/627883100.db2.gz NMOWLLDAXDGBIY-GBESFXJTSA-N 2 1 308.510 3.434 20 0 DGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1coc2ccccc12 ZINC000926358172 627884369 /nfs/dbraw/zinc/88/43/69/627884369.db2.gz VQXHDCQWXXSTGR-HNNXBMFYSA-N 2 1 315.461 3.109 20 0 DGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926571883 627916566 /nfs/dbraw/zinc/91/65/66/627916566.db2.gz AEFGKIKTKYQUKV-IAGOWNOFSA-N 3 1 303.494 3.131 20 0 DGADMP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CCCC1 ZINC000817575551 627922670 /nfs/dbraw/zinc/92/26/70/627922670.db2.gz IEYMBRIQQXJNIA-CQSZACIVSA-N 2 1 314.433 3.013 20 0 DGADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C2CCC2)c1 ZINC000926676660 627930922 /nfs/dbraw/zinc/93/09/22/627930922.db2.gz VHUYHSJWMOREAV-QGTPRVQTSA-N 2 1 302.466 3.276 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000926709039 627937478 /nfs/dbraw/zinc/93/74/78/627937478.db2.gz WRNHMGYXDYBTTK-LJQANCHMSA-N 2 1 302.462 3.480 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(N2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000817890305 627953808 /nfs/dbraw/zinc/95/38/08/627953808.db2.gz RSFUONDIBPULIP-MRXNPFEDSA-N 2 1 324.472 3.378 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000817897402 627955097 /nfs/dbraw/zinc/95/50/97/627955097.db2.gz NUOHUUHMLFBBQD-HOTGVXAUSA-N 2 1 310.445 3.122 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC000817900392 627956192 /nfs/dbraw/zinc/95/61/92/627956192.db2.gz MPJXBTNUVWGDHH-HOTGVXAUSA-N 2 1 306.450 3.232 20 0 DGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817905434 627958243 /nfs/dbraw/zinc/95/82/43/627958243.db2.gz NAHBTXLNPRAGBO-WSFKTYETSA-N 2 1 314.404 3.372 20 0 DGADMP C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817928339 627963853 /nfs/dbraw/zinc/96/38/53/627963853.db2.gz UZJVSDRYVHFTRL-HOJAQTOUSA-N 2 1 315.505 3.019 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817931933 627965085 /nfs/dbraw/zinc/96/50/85/627965085.db2.gz PHTPLYKLHGHULH-MOPGFXCFSA-N 2 1 324.424 3.013 20 0 DGADMP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)ccc1SC(F)F ZINC000817936474 627966847 /nfs/dbraw/zinc/96/68/47/627966847.db2.gz OVTIOXQTPOOWCH-JTQLQIEISA-N 2 1 316.417 3.413 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nc(Br)cs1 ZINC000817960712 627975488 /nfs/dbraw/zinc/97/54/88/627975488.db2.gz QCFQJKIMJKXBAO-IVZWLZJFSA-N 2 1 318.284 3.074 20 0 DGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC ZINC000817960375 627975583 /nfs/dbraw/zinc/97/55/83/627975583.db2.gz YJULWPJGMJETRH-QAPCUYQASA-N 3 1 321.509 3.171 20 0 DGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC ZINC000817960371 627975701 /nfs/dbraw/zinc/97/57/01/627975701.db2.gz YJULWPJGMJETRH-CRAIPNDOSA-N 3 1 321.509 3.171 20 0 DGADMP COCc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC ZINC000817980920 627982690 /nfs/dbraw/zinc/98/26/90/627982690.db2.gz FTMMNYZGQIJRLT-DYVFJYSZSA-N 2 1 306.450 3.010 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000926971350 627991514 /nfs/dbraw/zinc/99/15/14/627991514.db2.gz ALBDKHCWRACXQP-ZACQAIPSSA-N 2 1 313.445 3.141 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000927018918 627999067 /nfs/dbraw/zinc/99/90/67/627999067.db2.gz BUENENHVTHDADM-FYQPLNBISA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818959290 628067152 /nfs/dbraw/zinc/06/71/52/628067152.db2.gz HNKGCECTQJBIHN-CRAIPNDOSA-N 2 1 308.441 3.103 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000818959350 628067417 /nfs/dbraw/zinc/06/74/17/628067417.db2.gz IKMMQJRQUQQYAX-YJBOKZPZSA-N 2 1 324.896 3.475 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc2ccccc21 ZINC000818962960 628068817 /nfs/dbraw/zinc/06/88/17/628068817.db2.gz CENRIQTYFJLCBL-QKLQHJQFSA-N 2 1 310.441 3.090 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000818970978 628069763 /nfs/dbraw/zinc/06/97/63/628069763.db2.gz RDZGDDRVUKQYRG-FQEVSTJZSA-N 2 1 312.457 3.270 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000818984612 628073010 /nfs/dbraw/zinc/07/30/10/628073010.db2.gz JHECQCUNMMGNAY-PBHICJAKSA-N 2 1 310.869 3.083 20 0 DGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807830 628298983 /nfs/dbraw/zinc/29/89/83/628298983.db2.gz RWLQLIAJCDQDSF-KFKAGJAMSA-N 3 1 301.478 3.026 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807830 628298986 /nfs/dbraw/zinc/29/89/86/628298986.db2.gz RWLQLIAJCDQDSF-KFKAGJAMSA-N 2 1 301.478 3.026 20 0 DGADMP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820824722 628301084 /nfs/dbraw/zinc/30/10/84/628301084.db2.gz USHBPYDVJIMWEJ-XEHBXRSQSA-N 2 1 306.494 3.185 20 0 DGADMP Cc1noc(C)c1[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820829442 628302108 /nfs/dbraw/zinc/30/21/08/628302108.db2.gz JIQJFOOVPGDWKV-HVYHFCKSSA-N 2 1 303.450 3.142 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCC[C@H]1C ZINC000823850388 628603060 /nfs/dbraw/zinc/60/30/60/628603060.db2.gz BEFIOTOTNICZSQ-NEPXVJNWSA-N 2 1 308.510 3.434 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3ccnc(Cl)c3F)C2)CC1 ZINC000824333337 628652338 /nfs/dbraw/zinc/65/23/38/628652338.db2.gz WBODWOQTURGZNW-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccnc(Cl)c3F)C2)CC1 ZINC000824333337 628652343 /nfs/dbraw/zinc/65/23/43/628652343.db2.gz WBODWOQTURGZNW-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000825325754 628749814 /nfs/dbraw/zinc/74/98/14/628749814.db2.gz ILASCHJDESOACT-KGLIPLIRSA-N 2 1 324.852 3.089 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000827949358 629007291 /nfs/dbraw/zinc/00/72/91/629007291.db2.gz MMXARZDFCKTJBW-OAHLLOKOSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)n1 ZINC000827949358 629007293 /nfs/dbraw/zinc/00/72/93/629007293.db2.gz MMXARZDFCKTJBW-OAHLLOKOSA-N 2 1 307.869 3.255 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000828070351 629020464 /nfs/dbraw/zinc/02/04/64/629020464.db2.gz FGAQLYVCQQSCRV-PKOBYXMFSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000828070351 629020466 /nfs/dbraw/zinc/02/04/66/629020466.db2.gz FGAQLYVCQQSCRV-PKOBYXMFSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000828070351 629020468 /nfs/dbraw/zinc/02/04/68/629020468.db2.gz FGAQLYVCQQSCRV-PKOBYXMFSA-N 2 1 303.494 3.175 20 0 DGADMP CC(C)CC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000828443362 629054876 /nfs/dbraw/zinc/05/48/76/629054876.db2.gz CWDCPHSJKAKXRZ-UHFFFAOYSA-N 2 1 317.477 3.404 20 0 DGADMP CC(C)CC(=O)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000828450203 629055137 /nfs/dbraw/zinc/05/51/37/629055137.db2.gz GYXBVUUXWUXKMR-KDURUIRLSA-N 2 1 314.473 3.056 20 0 DGADMP CC(C)CC(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000828450203 629055140 /nfs/dbraw/zinc/05/51/40/629055140.db2.gz GYXBVUUXWUXKMR-KDURUIRLSA-N 2 1 314.473 3.056 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925485076 629551548 /nfs/dbraw/zinc/55/15/48/629551548.db2.gz APJVFGUDLNFPNN-OALUTQOASA-N 2 1 303.494 3.321 20 0 DGADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925485076 629551551 /nfs/dbraw/zinc/55/15/51/629551551.db2.gz APJVFGUDLNFPNN-OALUTQOASA-N 2 1 303.494 3.321 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(-c2ccccc2)c1 ZINC000834910312 629806570 /nfs/dbraw/zinc/80/65/70/629806570.db2.gz SNECVOQCVQBRAB-MRXNPFEDSA-N 2 1 312.461 3.397 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000841100303 630408029 /nfs/dbraw/zinc/40/80/29/630408029.db2.gz CDIGTAOJQBEFKN-AAEUAGOBSA-N 2 1 300.418 3.418 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000842472752 630539411 /nfs/dbraw/zinc/53/94/11/630539411.db2.gz JZQCIMDVWYVMEB-DFQSSKMNSA-N 2 1 316.489 3.354 20 0 DGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1)c1cccs1 ZINC000842472639 630539444 /nfs/dbraw/zinc/53/94/44/630539444.db2.gz GWBFLCKYFFEBOB-IXDOHACOSA-N 2 1 322.518 3.416 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1)c1cccs1 ZINC000842472635 630539546 /nfs/dbraw/zinc/53/95/46/630539546.db2.gz GWBFLCKYFFEBOB-BRWVUGGUSA-N 2 1 322.518 3.416 20 0 DGADMP C[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CO1 ZINC000842692853 630564190 /nfs/dbraw/zinc/56/41/90/630564190.db2.gz RGIIWNBGQOVTMM-YJBOKZPZSA-N 2 1 317.477 3.054 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OCC(C)C ZINC000843055521 630609528 /nfs/dbraw/zinc/60/95/28/630609528.db2.gz FIBRYEUUKDWQBJ-UHFFFAOYSA-N 2 1 320.477 3.432 20 0 DGADMP FC(F)(F)c1ccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000843119451 630615709 /nfs/dbraw/zinc/61/57/09/630615709.db2.gz RGZVYTCLUDHACY-HNNXBMFYSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000843126472 630616572 /nfs/dbraw/zinc/61/65/72/630616572.db2.gz GLGVYFQYPXRSDV-MJGOQNOKSA-N 3 1 303.494 3.148 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000843126472 630616577 /nfs/dbraw/zinc/61/65/77/630616577.db2.gz GLGVYFQYPXRSDV-MJGOQNOKSA-N 3 1 303.494 3.148 20 0 DGADMP CC[NH2+]Cc1noc(-c2ccc(C[N@H+](CC)C(C)C)cc2)n1 ZINC000843140766 630619430 /nfs/dbraw/zinc/61/94/30/630619430.db2.gz CZAYXGOMPBOFAS-UHFFFAOYSA-N 2 1 302.422 3.076 20 0 DGADMP CC[NH2+]Cc1noc(-c2ccc(C[N@@H+](CC)C(C)C)cc2)n1 ZINC000843140766 630619431 /nfs/dbraw/zinc/61/94/31/630619431.db2.gz CZAYXGOMPBOFAS-UHFFFAOYSA-N 2 1 302.422 3.076 20 0 DGADMP CCC[N@H+](CC)Cc1ccc(-c2nc(C[NH2+]CC)no2)cc1 ZINC000843141271 630619764 /nfs/dbraw/zinc/61/97/64/630619764.db2.gz MIBILSDNXATBLB-UHFFFAOYSA-N 2 1 302.422 3.078 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(C[NH2+]CC)no2)cc1 ZINC000843141271 630619765 /nfs/dbraw/zinc/61/97/65/630619765.db2.gz MIBILSDNXATBLB-UHFFFAOYSA-N 2 1 302.422 3.078 20 0 DGADMP CC(C)[C@@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000843150998 630621152 /nfs/dbraw/zinc/62/11/52/630621152.db2.gz MAJINIIAPSRDDJ-HZPDHXFCSA-N 2 1 314.433 3.105 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000843346194 630648239 /nfs/dbraw/zinc/64/82/39/630648239.db2.gz DUHMFUCETFINDJ-AWEZNQCLSA-N 2 1 300.368 3.309 20 0 DGADMP COc1ccc(-c2cnc(C[N@@H+](C)C3CCC([NH3+])CC3)o2)cc1 ZINC000843355447 630649155 /nfs/dbraw/zinc/64/91/55/630649155.db2.gz PHVXZTHRIJQCMR-UHFFFAOYSA-N 2 1 315.417 3.052 20 0 DGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000843359434 630649190 /nfs/dbraw/zinc/64/91/90/630649190.db2.gz VBIFILUUDCGXLK-LJQANCHMSA-N 2 1 304.478 3.130 20 0 DGADMP Brc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000843358871 630649583 /nfs/dbraw/zinc/64/95/83/630649583.db2.gz YKVIPVWODVTIJA-HOCLYGCPSA-N 2 1 323.278 3.066 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@H+](C)C3CC([NH3+])C3)c2cc1C(C)C ZINC000843387458 630651575 /nfs/dbraw/zinc/65/15/75/630651575.db2.gz KAIFWPPYZRNARW-UHFFFAOYSA-N 2 1 314.429 3.146 20 0 DGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)C3CC([NH3+])C3)c2cc1C(C)C ZINC000843387458 630651576 /nfs/dbraw/zinc/65/15/76/630651576.db2.gz KAIFWPPYZRNARW-UHFFFAOYSA-N 2 1 314.429 3.146 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386990 630651695 /nfs/dbraw/zinc/65/16/95/630651695.db2.gz PINWXGRQTXYBRR-MCIONIFRSA-N 2 1 305.293 3.282 20 0 DGADMP Cc1ccc(N2CCC[N@@H+](CCCCCCC[NH3+])CC2)cc1 ZINC000844222073 630712908 /nfs/dbraw/zinc/71/29/08/630712908.db2.gz SOSVUNATACYICY-UHFFFAOYSA-N 2 1 303.494 3.416 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCCCCO)C2)s1 ZINC000844328879 630719364 /nfs/dbraw/zinc/71/93/64/630719364.db2.gz ZUEGMQHYNALWHL-KRWDZBQOSA-N 2 1 324.534 3.363 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCCCCO)C2)s1 ZINC000844328879 630719365 /nfs/dbraw/zinc/71/93/65/630719365.db2.gz ZUEGMQHYNALWHL-KRWDZBQOSA-N 2 1 324.534 3.363 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCCCCO)C2)s1 ZINC000844328879 630719366 /nfs/dbraw/zinc/71/93/66/630719366.db2.gz ZUEGMQHYNALWHL-KRWDZBQOSA-N 2 1 324.534 3.363 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)s1 ZINC000846104215 631209719 /nfs/dbraw/zinc/20/97/19/631209719.db2.gz DSBZELKIHUMMIF-SNVBAGLBSA-N 2 1 322.305 3.268 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])cc1OC ZINC000846217560 631215381 /nfs/dbraw/zinc/21/53/81/631215381.db2.gz KNRHDIHBMJCGRE-INIZCTEOSA-N 2 1 306.450 3.360 20 0 DGADMP Cc1ccccc1CN1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000846222750 631215634 /nfs/dbraw/zinc/21/56/34/631215634.db2.gz ZAIRDQBHDYURLU-UHFFFAOYSA-N 2 1 303.494 3.022 20 0 DGADMP Cc1ccccc1C[N@@H+]1CCCN(CCCCCC[NH3+])CC1 ZINC000846222750 631215635 /nfs/dbraw/zinc/21/56/35/631215635.db2.gz ZAIRDQBHDYURLU-UHFFFAOYSA-N 2 1 303.494 3.022 20 0 DGADMP Cc1ccccc1C[N@H+]1CCCN(CCCCCC[NH3+])CC1 ZINC000846222750 631215636 /nfs/dbraw/zinc/21/56/36/631215636.db2.gz ZAIRDQBHDYURLU-UHFFFAOYSA-N 2 1 303.494 3.022 20 0 DGADMP CC(C)c1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000848536672 631683057 /nfs/dbraw/zinc/68/30/57/631683057.db2.gz VCPZGMWJPCJXIB-SFHVURJKSA-N 2 1 304.478 3.137 20 0 DGADMP CC[N@H+](Cc1cnc(Cl)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000848911435 631783045 /nfs/dbraw/zinc/78/30/45/631783045.db2.gz VAJTYDQXYFWHQI-UHFFFAOYSA-N 2 1 320.868 3.157 20 0 DGADMP CC[N@@H+](Cc1cnc(Cl)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000848911435 631783046 /nfs/dbraw/zinc/78/30/46/631783046.db2.gz VAJTYDQXYFWHQI-UHFFFAOYSA-N 2 1 320.868 3.157 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000849009932 631805906 /nfs/dbraw/zinc/80/59/06/631805906.db2.gz LUCJTGLMEBZTAF-YDHLFZDLSA-N 2 1 308.495 3.043 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849096628 631834064 /nfs/dbraw/zinc/83/40/64/631834064.db2.gz BHDLLNDTBKBDJR-CQSZACIVSA-N 2 1 302.466 3.089 20 0 DGADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000849105909 631837048 /nfs/dbraw/zinc/83/70/48/631837048.db2.gz IIYRVDAKUWLRGN-WBVHZDCISA-N 2 1 306.498 3.040 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CC2SCCS2)CC[N@H+]1Cc1ccccc1 ZINC000850401925 632140696 /nfs/dbraw/zinc/14/06/96/632140696.db2.gz JRCLTBYVSGWFTN-ZBFHGGJFSA-N 2 1 322.543 3.435 20 0 DGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]2CCC[C@@H]21 ZINC000850435400 632151645 /nfs/dbraw/zinc/15/16/45/632151645.db2.gz NEMXJZJGELMMRH-XWTMOSNGSA-N 2 1 306.494 3.044 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCn3nccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000850466213 632161821 /nfs/dbraw/zinc/16/18/21/632161821.db2.gz JLQKJUYYBZHUSM-UYAOXDASSA-N 2 1 324.472 3.220 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCn3nccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000850466213 632161825 /nfs/dbraw/zinc/16/18/25/632161825.db2.gz JLQKJUYYBZHUSM-UYAOXDASSA-N 2 1 324.472 3.220 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)C1 ZINC000852021657 632539787 /nfs/dbraw/zinc/53/97/87/632539787.db2.gz BEDBHVUXFKZSMB-GVDBMIGSSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021657 632539791 /nfs/dbraw/zinc/53/97/91/632539791.db2.gz BEDBHVUXFKZSMB-GVDBMIGSSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000852021657 632539794 /nfs/dbraw/zinc/53/97/94/632539794.db2.gz BEDBHVUXFKZSMB-GVDBMIGSSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021657 632539797 /nfs/dbraw/zinc/53/97/97/632539797.db2.gz BEDBHVUXFKZSMB-GVDBMIGSSA-N 2 1 322.518 3.378 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000852021657 632539800 /nfs/dbraw/zinc/53/98/00/632539800.db2.gz BEDBHVUXFKZSMB-GVDBMIGSSA-N 2 1 322.518 3.378 20 0 DGADMP C[N@@H+](Cc1ccc(Br)s1)C1CCC([NH3+])CC1 ZINC000085869268 660471868 /nfs/dbraw/zinc/47/18/68/660471868.db2.gz PFWGTBPWBIONFU-UHFFFAOYSA-N 2 1 303.269 3.212 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCSCC2)cn1 ZINC000187035060 660940462 /nfs/dbraw/zinc/94/04/62/660940462.db2.gz XJADKRGBNOFNMG-ZDUSSCGKSA-N 2 1 316.474 3.197 20 0 DGADMP C[C@]12CC[N@H+](CCC[NH+]3CCCCC3)C[C@H]1C2(Cl)Cl ZINC000792904914 660992633 /nfs/dbraw/zinc/99/26/33/660992633.db2.gz MWTMSBLUWLPQNQ-KGLIPLIRSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@]12CC[N@@H+](CCC[NH+]3CCCCC3)C[C@H]1C2(Cl)Cl ZINC000792904914 660992635 /nfs/dbraw/zinc/99/26/35/660992635.db2.gz MWTMSBLUWLPQNQ-KGLIPLIRSA-N 2 1 305.293 3.378 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCc2ccc(C)nc2)cn1 ZINC000792922095 660993890 /nfs/dbraw/zinc/99/38/90/660993890.db2.gz NXOKXZYLQJHNJM-UHFFFAOYSA-N 2 1 321.428 3.002 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n(C)n1 ZINC000793525633 661041731 /nfs/dbraw/zinc/04/17/31/661041731.db2.gz JAWOCHBMAYOBJX-MRXNPFEDSA-N 2 1 314.477 3.420 20 0 DGADMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089724478 655579579 /nfs/dbraw/zinc/57/95/79/655579579.db2.gz WWDYBWIXRIQCHD-KZNAEPCWSA-N 2 1 313.445 3.084 20 0 DGADMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089724478 655579580 /nfs/dbraw/zinc/57/95/80/655579580.db2.gz WWDYBWIXRIQCHD-KZNAEPCWSA-N 2 1 313.445 3.084 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCCC1 ZINC000806130763 655584196 /nfs/dbraw/zinc/58/41/96/655584196.db2.gz DELXEEPPJLZNQO-DZGCQCFKSA-N 2 1 307.869 3.434 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000071142199 655594180 /nfs/dbraw/zinc/59/41/80/655594180.db2.gz BJJFONNPABUGBS-LBPRGKRZSA-N 2 1 304.381 3.340 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000071142199 655594182 /nfs/dbraw/zinc/59/41/82/655594182.db2.gz BJJFONNPABUGBS-LBPRGKRZSA-N 2 1 304.381 3.340 20 0 DGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000262388455 655853012 /nfs/dbraw/zinc/85/30/12/655853012.db2.gz ZNJQLHMMECQLGG-RRFJBIMHSA-N 2 1 310.388 3.298 20 0 DGADMP Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000309652215 655867872 /nfs/dbraw/zinc/86/78/72/655867872.db2.gz HCSWQUPWZCRKIK-QGZVFWFLSA-N 2 1 314.404 3.143 20 0 DGADMP COC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309764278 655882794 /nfs/dbraw/zinc/88/27/94/655882794.db2.gz FNRMXRIOHQSAHC-FUHWJXTLSA-N 2 1 304.478 3.302 20 0 DGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000313558287 656291504 /nfs/dbraw/zinc/29/15/04/656291504.db2.gz MAIVOWIDTINXGK-TZIWHRDSSA-N 2 1 324.468 3.222 20 0 DGADMP Clc1ccc2c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000317777078 656675490 /nfs/dbraw/zinc/67/54/90/656675490.db2.gz RLWDRTLQRCGGLJ-ZIAGYGMSSA-N 2 1 317.820 3.163 20 0 DGADMP Clc1ccc2c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000317777078 656675495 /nfs/dbraw/zinc/67/54/95/656675495.db2.gz RLWDRTLQRCGGLJ-ZIAGYGMSSA-N 2 1 317.820 3.163 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052860833 656778038 /nfs/dbraw/zinc/77/80/38/656778038.db2.gz XRHBXJUFQATECB-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052860833 656778041 /nfs/dbraw/zinc/77/80/41/656778041.db2.gz XRHBXJUFQATECB-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052860833 656778043 /nfs/dbraw/zinc/77/80/43/656778043.db2.gz XRHBXJUFQATECB-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1OC ZINC000319131974 656908510 /nfs/dbraw/zinc/90/85/10/656908510.db2.gz OZXBGZXYHLZEQC-OAHLLOKOSA-N 2 1 308.466 3.223 20 0 DGADMP COCc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1OC ZINC000319131974 656908514 /nfs/dbraw/zinc/90/85/14/656908514.db2.gz OZXBGZXYHLZEQC-OAHLLOKOSA-N 2 1 308.466 3.223 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261597596 656923131 /nfs/dbraw/zinc/92/31/31/656923131.db2.gz AQAKLUCWVSGJOV-AWEZNQCLSA-N 2 1 316.392 3.484 20 0 DGADMP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261597596 656923135 /nfs/dbraw/zinc/92/31/35/656923135.db2.gz AQAKLUCWVSGJOV-AWEZNQCLSA-N 2 1 316.392 3.484 20 0 DGADMP CC[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000261658744 656947060 /nfs/dbraw/zinc/94/70/60/656947060.db2.gz BLDGJCUTHGTFEH-GOSISDBHSA-N 2 1 302.462 3.439 20 0 DGADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000900005025 657064676 /nfs/dbraw/zinc/06/46/76/657064676.db2.gz WIDMYCDVXWTLMS-SWLSCSKDSA-N 2 1 302.422 3.234 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000261996990 657276955 /nfs/dbraw/zinc/27/69/55/657276955.db2.gz SXRRBDDVJMQFFF-HNNXBMFYSA-N 2 1 300.377 3.399 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262050930 657301391 /nfs/dbraw/zinc/30/13/91/657301391.db2.gz QESZWTSLXKPGTR-UHFFFAOYSA-N 2 1 323.278 3.333 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000262111025 657375259 /nfs/dbraw/zinc/37/52/59/657375259.db2.gz WMAPZQSEKFSIPV-SFHVURJKSA-N 2 1 300.377 3.271 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000262111025 657375266 /nfs/dbraw/zinc/37/52/66/657375266.db2.gz WMAPZQSEKFSIPV-SFHVURJKSA-N 2 1 300.377 3.271 20 0 DGADMP c1csc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000262114004 657377111 /nfs/dbraw/zinc/37/71/11/657377111.db2.gz WRWLEAXYFOQHLQ-UHFFFAOYSA-N 2 1 319.499 3.447 20 0 DGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060074 657546630 /nfs/dbraw/zinc/54/66/30/657546630.db2.gz WYAUNSXGECGWFO-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969060074 657546637 /nfs/dbraw/zinc/54/66/37/657546637.db2.gz WYAUNSXGECGWFO-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1 ZINC000305126116 657684309 /nfs/dbraw/zinc/68/43/09/657684309.db2.gz IKAQTKDPXMARPO-MRXNPFEDSA-N 2 1 318.486 3.399 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000226538989 659124910 /nfs/dbraw/zinc/12/49/10/659124910.db2.gz ZMBTUIIIWDTWDY-GMXVVIOVSA-N 2 1 302.340 3.315 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946808 659406565 /nfs/dbraw/zinc/40/65/65/659406565.db2.gz FZWMONLTLPVGQL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946808 659406566 /nfs/dbraw/zinc/40/65/66/659406566.db2.gz FZWMONLTLPVGQL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946808 659406567 /nfs/dbraw/zinc/40/65/67/659406567.db2.gz FZWMONLTLPVGQL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(Cl)c1 ZINC000173946808 659406570 /nfs/dbraw/zinc/40/65/70/659406570.db2.gz FZWMONLTLPVGQL-SJORKVTESA-N 2 1 310.869 3.180 20 0 DGADMP CC1CC(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000929804264 659611859 /nfs/dbraw/zinc/61/18/59/659611859.db2.gz CEBHIPGFPRYVFG-UHFFFAOYSA-N 2 1 321.553 3.161 20 0 DGADMP CC1CC(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000929804264 659611862 /nfs/dbraw/zinc/61/18/62/659611862.db2.gz CEBHIPGFPRYVFG-UHFFFAOYSA-N 3 1 321.553 3.161 20 0 DGADMP CC1CC(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000929804264 659611868 /nfs/dbraw/zinc/61/18/68/659611868.db2.gz CEBHIPGFPRYVFG-UHFFFAOYSA-N 3 1 321.553 3.161 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3ccns3)C2)CC1 ZINC000929421756 661305682 /nfs/dbraw/zinc/30/56/82/661305682.db2.gz LEMBYJYSRDDBED-MRXNPFEDSA-N 2 1 307.507 3.130 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccns3)C2)CC1 ZINC000929421756 661305683 /nfs/dbraw/zinc/30/56/83/661305683.db2.gz LEMBYJYSRDDBED-MRXNPFEDSA-N 2 1 307.507 3.130 20 0 DGADMP Cc1[nH]c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)[nH+]1 ZINC000929508867 661313788 /nfs/dbraw/zinc/31/37/88/661313788.db2.gz GWEMWVJZYMQLHG-QGZVFWFLSA-N 2 1 304.482 3.115 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC000929790958 661338767 /nfs/dbraw/zinc/33/87/67/661338767.db2.gz OAVWWGYAALZHAD-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC000929790958 661338770 /nfs/dbraw/zinc/33/87/70/661338770.db2.gz OAVWWGYAALZHAD-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC000929790958 661338772 /nfs/dbraw/zinc/33/87/72/661338772.db2.gz OAVWWGYAALZHAD-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP C[N@@H+]1CCC[C@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842010 661343801 /nfs/dbraw/zinc/34/38/01/661343801.db2.gz AVTXLTCHDZSCGO-FVELJTHGSA-N 2 1 314.473 3.150 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842010 661343803 /nfs/dbraw/zinc/34/38/03/661343803.db2.gz AVTXLTCHDZSCGO-FVELJTHGSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842010 661343806 /nfs/dbraw/zinc/34/38/06/661343806.db2.gz AVTXLTCHDZSCGO-FVELJTHGSA-N 2 1 314.473 3.150 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C3CC(OCc4ccccc4)C3)CC[C@@H]21 ZINC000929842010 661343808 /nfs/dbraw/zinc/34/38/08/661343808.db2.gz AVTXLTCHDZSCGO-FVELJTHGSA-N 2 1 314.473 3.150 20 0 DGADMP c1cc(N2CCC[N@H+](C[C@H]3CCCC4(CCC4)O3)CC2)cc[nH+]1 ZINC000930805678 661431479 /nfs/dbraw/zinc/43/14/79/661431479.db2.gz HUMVQLBWCKDJIR-GOSISDBHSA-N 2 1 315.461 3.086 20 0 DGADMP CCCC[N@H+](CC(=O)N1CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931031712 661446688 /nfs/dbraw/zinc/44/66/88/661446688.db2.gz CUJFASHXTOZBCK-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@@H+](CC(=O)N1CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931031712 661446691 /nfs/dbraw/zinc/44/66/91/661446691.db2.gz CUJFASHXTOZBCK-UHFFFAOYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@@H+](CCc1nnc(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033705 661446967 /nfs/dbraw/zinc/44/69/67/661446967.db2.gz KGHAKUZIKSEKAQ-UHFFFAOYSA-N 2 1 322.497 3.332 20 0 DGADMP COc1ccc([C@H](C)C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931318579 661466783 /nfs/dbraw/zinc/46/67/83/661466783.db2.gz VDBQVOINLFWKDZ-MNEFBYGVSA-N 2 1 302.462 3.072 20 0 DGADMP C[NH+](C)C1(C)CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000931353108 661469832 /nfs/dbraw/zinc/46/98/32/661469832.db2.gz ALRJDQLATABVHG-MSOLQXFVSA-N 2 1 302.462 3.323 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371185 661471254 /nfs/dbraw/zinc/47/12/54/661471254.db2.gz VRTMEGRQJGIPTH-CVEARBPZSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371185 661471256 /nfs/dbraw/zinc/47/12/56/661471256.db2.gz VRTMEGRQJGIPTH-CVEARBPZSA-N 2 1 312.461 3.227 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371185 661471257 /nfs/dbraw/zinc/47/12/57/661471257.db2.gz VRTMEGRQJGIPTH-CVEARBPZSA-N 2 1 312.461 3.227 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC000931435954 661476147 /nfs/dbraw/zinc/47/61/47/661476147.db2.gz JHUIUTFPQWIVIL-FUUBYGMNSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC000931435954 661476148 /nfs/dbraw/zinc/47/61/48/661476148.db2.gz JHUIUTFPQWIVIL-FUUBYGMNSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC000931435954 661476150 /nfs/dbraw/zinc/47/61/50/661476150.db2.gz JHUIUTFPQWIVIL-FUUBYGMNSA-N 2 1 304.400 3.239 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc4ccccc43)C[C@@H]2C1 ZINC000931434209 661476309 /nfs/dbraw/zinc/47/63/09/661476309.db2.gz PYOVTZJCKLDXTG-MSOLQXFVSA-N 2 1 310.441 3.102 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)C[C@@H]2C1 ZINC000931434209 661476310 /nfs/dbraw/zinc/47/63/10/661476310.db2.gz PYOVTZJCKLDXTG-MSOLQXFVSA-N 2 1 310.441 3.102 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCCCCC4)O3)C[C@@H]2C1 ZINC000931442904 661476927 /nfs/dbraw/zinc/47/69/27/661476927.db2.gz POBZLQJOYNGRNC-FGTMMUONSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCCC4)O3)C[C@@H]2C1 ZINC000931442904 661476928 /nfs/dbraw/zinc/47/69/28/661476928.db2.gz POBZLQJOYNGRNC-FGTMMUONSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)C[C@@H]2C1 ZINC000931442904 661476930 /nfs/dbraw/zinc/47/69/30/661476930.db2.gz POBZLQJOYNGRNC-FGTMMUONSA-N 2 1 306.494 3.142 20 0 DGADMP c1n[nH]cc1CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933546563 661640237 /nfs/dbraw/zinc/64/02/37/661640237.db2.gz FIHRNOBUZXUBTJ-UHFFFAOYSA-N 2 1 324.472 3.039 20 0 DGADMP CSCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548564 661640244 /nfs/dbraw/zinc/64/02/44/661640244.db2.gz VXVAAZADMJXVQU-UHFFFAOYSA-N 2 1 304.503 3.437 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)C[C@]2(C)C1 ZINC000933732168 661654835 /nfs/dbraw/zinc/65/48/35/661654835.db2.gz LDHXPYRWMPCJAR-QAPCUYQASA-N 2 1 317.864 3.178 20 0 DGADMP CCC[N@@H+](CC[C@H](C)O)C1CCN(Cc2ccccc2)CC1 ZINC000934186203 661685317 /nfs/dbraw/zinc/68/53/17/661685317.db2.gz RAXALHXSKHHLAX-KRWDZBQOSA-N 2 1 304.478 3.134 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000935802535 661811734 /nfs/dbraw/zinc/81/17/34/661811734.db2.gz MRRQRVLLYDOONE-MRXNPFEDSA-N 2 1 323.868 3.213 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000935802535 661811736 /nfs/dbraw/zinc/81/17/36/661811736.db2.gz MRRQRVLLYDOONE-MRXNPFEDSA-N 2 1 323.868 3.213 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCC[NH3+])cc2)C1 ZINC000155440428 661847222 /nfs/dbraw/zinc/84/72/22/661847222.db2.gz RFMVCXWHJVVQST-MRXNPFEDSA-N 2 1 317.477 3.376 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000191814825 662081394 /nfs/dbraw/zinc/08/13/94/662081394.db2.gz JEKLLXMSWZMCNC-MOPGFXCFSA-N 2 1 322.468 3.446 20 0 DGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000378897619 685146027 /nfs/dbraw/zinc/14/60/27/685146027.db2.gz VKUHOTLPXOXBNL-SJORKVTESA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000378897619 685146031 /nfs/dbraw/zinc/14/60/31/685146031.db2.gz VKUHOTLPXOXBNL-SJORKVTESA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000378897619 685146032 /nfs/dbraw/zinc/14/60/32/685146032.db2.gz VKUHOTLPXOXBNL-SJORKVTESA-N 2 1 318.461 3.199 20 0 DGADMP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000380964052 685155099 /nfs/dbraw/zinc/15/50/99/685155099.db2.gz XVEPJTMCELOVPT-SLFFLAALSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)OCC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382087170 685162472 /nfs/dbraw/zinc/16/24/72/685162472.db2.gz XVKJEUMFTRQHGA-IEBWSBKVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000389953018 685198159 /nfs/dbraw/zinc/19/81/59/685198159.db2.gz VAECTHIEVWJRPT-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000389953018 685198164 /nfs/dbraw/zinc/19/81/64/685198164.db2.gz VAECTHIEVWJRPT-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@]1(C[NH2+]C[C@H]2CCC=CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000390697904 685204030 /nfs/dbraw/zinc/20/40/30/685204030.db2.gz AYHKMHFMXIJNBY-MOPGFXCFSA-N 2 1 300.446 3.181 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001576478585 1191825394 /nfs/dbraw/zinc/82/53/94/1191825394.db2.gz DZFPHRRCPYQLHB-SJLPKXTDSA-N 2 1 307.526 3.151 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C[NH2+]CCO1 ZINC001576519547 1191834029 /nfs/dbraw/zinc/83/40/29/1191834029.db2.gz QYFOSGOMEYFGHK-IPMKNSEASA-N 2 1 302.462 3.071 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C[NH2+]CCO1 ZINC001576519545 1191836712 /nfs/dbraw/zinc/83/67/12/1191836712.db2.gz QYFOSGOMEYFGHK-GBESFXJTSA-N 2 1 302.462 3.071 20 0 DGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC001576526240 1191838864 /nfs/dbraw/zinc/83/88/64/1191838864.db2.gz OPTAJJJWMONGQG-QGZVFWFLSA-N 2 1 324.490 3.183 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC[NH2+]1 ZINC001576623260 1191855664 /nfs/dbraw/zinc/85/56/64/1191855664.db2.gz IZFAWSYJEQXZRP-CZUORRHYSA-N 2 1 315.392 3.243 20 0 DGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC1C[NH2+]C1 ZINC001576623692 1191855936 /nfs/dbraw/zinc/85/59/36/1191855936.db2.gz MEFVMPPZKYZUAP-IUODEOHRSA-N 2 1 323.278 3.236 20 0 DGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC001620779829 1191861708 /nfs/dbraw/zinc/86/17/08/1191861708.db2.gz PYBKTUBPOADNDX-SFHVURJKSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001576749505 1191867056 /nfs/dbraw/zinc/86/70/56/1191867056.db2.gz QPXHMIYETQUCFM-LALPHHSUSA-N 2 1 316.367 3.104 20 0 DGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001576971882 1191877497 /nfs/dbraw/zinc/87/74/97/1191877497.db2.gz ROPFMLUMSZNWEW-RDJZCZTQSA-N 2 1 305.466 3.090 20 0 DGADMP CCC(CC)(C[NH3+])CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001577051848 1191882081 /nfs/dbraw/zinc/88/20/81/1191882081.db2.gz BVQPZQUYXQEDJA-PKOBYXMFSA-N 2 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001577051848 1191882082 /nfs/dbraw/zinc/88/20/82/1191882082.db2.gz BVQPZQUYXQEDJA-PKOBYXMFSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001577051848 1191882083 /nfs/dbraw/zinc/88/20/83/1191882083.db2.gz BVQPZQUYXQEDJA-PKOBYXMFSA-N 3 1 317.521 3.109 20 0 DGADMP CCC(CC)(C[NH3+])C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC001577052377 1191882105 /nfs/dbraw/zinc/88/21/05/1191882105.db2.gz PXMJQZZXSSDXBC-UHFFFAOYSA-N 2 1 308.857 3.081 20 0 DGADMP CCC(CC)(C[NH3+])[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC001577058660 1191882359 /nfs/dbraw/zinc/88/23/59/1191882359.db2.gz AWVYXHMBALGDLE-UHFFFAOYSA-N 2 1 315.502 3.129 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001577495367 1191905068 /nfs/dbraw/zinc/90/50/68/1191905068.db2.gz GUSMQASIEJSVKO-JCGIZDLHSA-N 2 1 323.912 3.311 20 0 DGADMP CCCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC001577608460 1191909321 /nfs/dbraw/zinc/90/93/21/1191909321.db2.gz DSCNDVHLRYUELI-ZWNOBZJWSA-N 2 1 306.397 3.270 20 0 DGADMP CCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC001577608460 1191909323 /nfs/dbraw/zinc/90/93/23/1191909323.db2.gz DSCNDVHLRYUELI-ZWNOBZJWSA-N 2 1 306.397 3.270 20 0 DGADMP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001577737052 1191914196 /nfs/dbraw/zinc/91/41/96/1191914196.db2.gz OWBFOQMZDRGEOA-UHFFFAOYSA-N 2 1 316.367 3.202 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c(C)c1 ZINC001578176478 1191929413 /nfs/dbraw/zinc/92/94/13/1191929413.db2.gz HSWPYASLRIAUBT-IEBWSBKVSA-N 2 1 302.462 3.345 20 0 DGADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001578458080 1191945107 /nfs/dbraw/zinc/94/51/07/1191945107.db2.gz IROGBBAIZJUMPO-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP COCC[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001579000733 1191964042 /nfs/dbraw/zinc/96/40/42/1191964042.db2.gz BMSXLTWJFAVNEO-TZIWHRDSSA-N 2 1 324.468 3.192 20 0 DGADMP COCC[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001579000733 1191964045 /nfs/dbraw/zinc/96/40/45/1191964045.db2.gz BMSXLTWJFAVNEO-TZIWHRDSSA-N 2 1 324.468 3.192 20 0 DGADMP COc1ccc([C@H](C)CC[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001579192804 1191968361 /nfs/dbraw/zinc/96/83/61/1191968361.db2.gz JQNAKLCGRYDEOA-DGCLKSJQSA-N 2 1 304.356 3.058 20 0 DGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC001579194511 1191968849 /nfs/dbraw/zinc/96/88/49/1191968849.db2.gz QLDBOVWZCOIAGG-CABCVRRESA-N 2 1 320.477 3.041 20 0 DGADMP COc1cccc(-c2csc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n2)c1 ZINC001579253203 1191970387 /nfs/dbraw/zinc/97/03/87/1191970387.db2.gz KRZUACICWVQGRC-NEPJUHHUSA-N 2 1 305.447 3.034 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001579499388 1191977751 /nfs/dbraw/zinc/97/77/51/1191977751.db2.gz LTMFXEDKCVZZDK-QOJCHSLYSA-N 2 1 313.489 3.085 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC001579510042 1191977850 /nfs/dbraw/zinc/97/78/50/1191977850.db2.gz RBNHVIVIYMPYCB-PKOBYXMFSA-N 2 1 316.565 3.196 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C ZINC001579547395 1191979458 /nfs/dbraw/zinc/97/94/58/1191979458.db2.gz IAKQFZZQHRUNFS-LPHOPBHVSA-N 2 1 312.461 3.178 20 0 DGADMP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001579552975 1191979546 /nfs/dbraw/zinc/97/95/46/1191979546.db2.gz SSCUHHWYFKBCMZ-STQMWFEESA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579605253 1191981924 /nfs/dbraw/zinc/98/19/24/1191981924.db2.gz MIJOCHWXGDJOPP-HNNXBMFYSA-N 2 1 322.880 3.300 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC001579685328 1191986553 /nfs/dbraw/zinc/98/65/53/1191986553.db2.gz KTMXTASKOVQTGO-JKSUJKDBSA-N 2 1 314.395 3.387 20 0 DGADMP Cc1ccc(C[N@@H+]2CCOC3(CCC([NH3+])CC3)C2)cc1Cl ZINC001579691660 1191987291 /nfs/dbraw/zinc/98/72/91/1191987291.db2.gz FLEYQJBLAGNMHB-UHFFFAOYSA-N 2 1 308.853 3.121 20 0 DGADMP Cc1ccc(C[N@H+]2CCOC3(CCC([NH3+])CC3)C2)cc1Cl ZINC001579691660 1191987292 /nfs/dbraw/zinc/98/72/92/1191987292.db2.gz FLEYQJBLAGNMHB-UHFFFAOYSA-N 2 1 308.853 3.121 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001579740088 1191990451 /nfs/dbraw/zinc/99/04/51/1191990451.db2.gz HHSRPJKSUQSNFG-OXJNMPFZSA-N 2 1 310.441 3.101 20 0 DGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001579740088 1191990453 /nfs/dbraw/zinc/99/04/53/1191990453.db2.gz HHSRPJKSUQSNFG-OXJNMPFZSA-N 2 1 310.441 3.101 20 0 DGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC001579785654 1191993884 /nfs/dbraw/zinc/99/38/84/1191993884.db2.gz WCTNSAXBPPIYBC-OALUTQOASA-N 2 1 324.472 3.157 20 0 DGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001579873001 1191997444 /nfs/dbraw/zinc/99/74/44/1191997444.db2.gz CXDQUJSFPSOLMB-CQSZACIVSA-N 2 1 318.490 3.189 20 0 DGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001579888251 1191998529 /nfs/dbraw/zinc/99/85/29/1191998529.db2.gz UYLZVCVMNNLLAN-DOMZBBRYSA-N 2 1 318.852 3.064 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CCCC1 ZINC001580228760 1192014999 /nfs/dbraw/zinc/01/49/99/1192014999.db2.gz FBFPGTXPNMEUCE-LSDHHAIUSA-N 2 1 317.260 3.134 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC[C@H](O)c2ccccc2)CCC1 ZINC001580240181 1192015622 /nfs/dbraw/zinc/01/56/22/1192015622.db2.gz RYZWQEMXQIINQT-ROUUACIJSA-N 2 1 302.462 3.094 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CCCO1 ZINC001580274279 1192018335 /nfs/dbraw/zinc/01/83/35/1192018335.db2.gz JEZKSUCUEBVTDW-CQSZACIVSA-N 2 1 304.821 3.043 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CCCO1 ZINC001580274279 1192018339 /nfs/dbraw/zinc/01/83/39/1192018339.db2.gz JEZKSUCUEBVTDW-CQSZACIVSA-N 2 1 304.821 3.043 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC[C@@H]1C(F)(F)F ZINC001580274237 1192018554 /nfs/dbraw/zinc/01/85/54/1192018554.db2.gz HQFIKPRYJFJXED-KGLIPLIRSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CC[C@@H]1C(F)(F)F ZINC001580274237 1192018555 /nfs/dbraw/zinc/01/85/55/1192018555.db2.gz HQFIKPRYJFJXED-KGLIPLIRSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]Cc1cccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC001580343015 1192022891 /nfs/dbraw/zinc/02/28/91/1192022891.db2.gz TYDWUFICYQLEOB-LJQANCHMSA-N 2 1 302.462 3.174 20 0 DGADMP c1c(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)onc1C1C[NH2+]C1 ZINC001580887990 1192043845 /nfs/dbraw/zinc/04/38/45/1192043845.db2.gz CDJMHRJKWXEARN-MRXNPFEDSA-N 2 1 303.450 3.296 20 0 DGADMP c1c(C[NH2+]Cc2nc3c(s2)CCCC3)sc2c1C[NH2+]CC2 ZINC001580887892 1192044230 /nfs/dbraw/zinc/04/42/30/1192044230.db2.gz MWSBEMMBHQGAIM-UHFFFAOYSA-N 2 1 319.499 3.019 20 0 DGADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC001580895256 1192044602 /nfs/dbraw/zinc/04/46/02/1192044602.db2.gz IFAOJWOBEBOKRJ-SJLPKXTDSA-N 2 1 309.413 3.058 20 0 DGADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC001580895256 1192044606 /nfs/dbraw/zinc/04/46/06/1192044606.db2.gz IFAOJWOBEBOKRJ-SJLPKXTDSA-N 2 1 309.413 3.058 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)CC2 ZINC001620967519 1192693039 /nfs/dbraw/zinc/69/30/39/1192693039.db2.gz LHDIGFFBVLXZBY-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)CC2 ZINC001620967519 1192693042 /nfs/dbraw/zinc/69/30/42/1192693042.db2.gz LHDIGFFBVLXZBY-KRWDZBQOSA-N 2 1 302.462 3.017 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2C)CC1 ZINC000083453831 1176284772 /nfs/dbraw/zinc/28/47/72/1176284772.db2.gz ANZYNJXLJZEOES-UHFFFAOYSA-N 2 1 320.477 3.366 20 0 DGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC001691188936 1176370942 /nfs/dbraw/zinc/37/09/42/1176370942.db2.gz KBDUJUUHMUGWQH-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001691188936 1176370953 /nfs/dbraw/zinc/37/09/53/1176370953.db2.gz KBDUJUUHMUGWQH-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001691188936 1176370963 /nfs/dbraw/zinc/37/09/63/1176370963.db2.gz KBDUJUUHMUGWQH-GOSISDBHSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(Br)s2)CC1 ZINC000230170692 1176499769 /nfs/dbraw/zinc/49/97/69/1176499769.db2.gz CINHUHBFIUDSPN-LLVKDONJSA-N 2 1 317.296 3.127 20 0 DGADMP COc1cccc2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)oc21 ZINC000378905330 1176751854 /nfs/dbraw/zinc/75/18/54/1176751854.db2.gz YRXBTDGBHXOVFG-UHFFFAOYSA-N 2 1 302.418 3.404 20 0 DGADMP C[N@H+]1CCC[C@H](NCc2cc(F)ccc2Br)CC1 ZINC000086818831 1177546077 /nfs/dbraw/zinc/54/60/77/1177546077.db2.gz FZEYKAJLCOSWGC-ZDUSSCGKSA-N 2 1 315.230 3.162 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC001182444426 1177819612 /nfs/dbraw/zinc/81/96/12/1177819612.db2.gz QXOOOAWMBCMUAW-KRWDZBQOSA-N 2 1 308.416 3.314 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC001330901522 1178087704 /nfs/dbraw/zinc/08/77/04/1178087704.db2.gz IFLGJOKXRKTDFE-SFHVURJKSA-N 2 1 317.477 3.260 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC001331025334 1178115698 /nfs/dbraw/zinc/11/56/98/1178115698.db2.gz DREXWAONEJUUQE-NVXWUHKLSA-N 2 1 304.478 3.479 20 0 DGADMP Clc1ccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001331565787 1178248333 /nfs/dbraw/zinc/24/83/33/1178248333.db2.gz OGPMMUSODZMCHL-UHFFFAOYSA-N 2 1 322.880 3.116 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001332820538 1178501118 /nfs/dbraw/zinc/50/11/18/1178501118.db2.gz HRZNSJXTUCGGCE-MRXNPFEDSA-N 2 1 304.482 3.372 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001332820537 1178501923 /nfs/dbraw/zinc/50/19/23/1178501923.db2.gz HRZNSJXTUCGGCE-INIZCTEOSA-N 2 1 304.482 3.372 20 0 DGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001333021086 1178541247 /nfs/dbraw/zinc/54/12/47/1178541247.db2.gz BORAPXXRSWMQSH-HZPDHXFCSA-N 2 1 305.466 3.022 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccc(F)nc1 ZINC001333028827 1178541982 /nfs/dbraw/zinc/54/19/82/1178541982.db2.gz IFXWSILNPZXCBI-CQSZACIVSA-N 2 1 304.413 3.453 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccc(F)nc1 ZINC001333028827 1178541989 /nfs/dbraw/zinc/54/19/89/1178541989.db2.gz IFXWSILNPZXCBI-CQSZACIVSA-N 2 1 304.413 3.453 20 0 DGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001333585550 1178631613 /nfs/dbraw/zinc/63/16/13/1178631613.db2.gz CVSCVNPAAQBOLS-SLFFLAALSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001333585550 1178631618 /nfs/dbraw/zinc/63/16/18/1178631618.db2.gz CVSCVNPAAQBOLS-SLFFLAALSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001333585550 1178631621 /nfs/dbraw/zinc/63/16/21/1178631621.db2.gz CVSCVNPAAQBOLS-SLFFLAALSA-N 2 1 316.489 3.089 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001333585550 1178631625 /nfs/dbraw/zinc/63/16/25/1178631625.db2.gz CVSCVNPAAQBOLS-SLFFLAALSA-N 2 1 316.489 3.089 20 0 DGADMP CCOc1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001333892410 1178691762 /nfs/dbraw/zinc/69/17/62/1178691762.db2.gz QPZBZQUKAJHWBQ-JYJNAYRXSA-N 2 1 320.452 3.387 20 0 DGADMP c1ccc2[nH]c([C@H]3CCC[N@H+](CC4C[C@H]5CC[C@@H](C4)[NH2+]5)C3)nc2c1 ZINC001334828441 1178810125 /nfs/dbraw/zinc/81/01/25/1178810125.db2.gz OEFGWSRYDQFQQX-YNBOMUFVSA-N 2 1 324.472 3.273 20 0 DGADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC001335271062 1178881997 /nfs/dbraw/zinc/88/19/97/1178881997.db2.gz QPGLXFUMEXCUHK-HZPDHXFCSA-N 2 1 312.461 3.132 20 0 DGADMP Cc1[nH+]ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1Br ZINC001335441731 1178911286 /nfs/dbraw/zinc/91/12/86/1178911286.db2.gz RJDHYEBULKUTOQ-STQMWFEESA-N 2 1 324.266 3.073 20 0 DGADMP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001343333445 1179257751 /nfs/dbraw/zinc/25/77/51/1179257751.db2.gz OJGSMXDYSUSZTJ-KKUMJFAQSA-N 2 1 307.507 3.429 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343335949 1179257922 /nfs/dbraw/zinc/25/79/22/1179257922.db2.gz ZBHQSHOVSMJOHD-XYJFISCASA-N 2 1 302.462 3.166 20 0 DGADMP Cc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001643919884 1195063985 /nfs/dbraw/zinc/06/39/85/1195063985.db2.gz OXAKYXRHNIZMKO-SFHVURJKSA-N 2 1 306.494 3.297 20 0 DGADMP C[C@H]1CC(CC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C[C@H](C)C1 ZINC001643980465 1195069972 /nfs/dbraw/zinc/06/99/72/1195069972.db2.gz JAJJBXQXFJHDOR-ZHALLVOQSA-N 2 1 310.526 3.491 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001350357368 1180060155 /nfs/dbraw/zinc/06/01/55/1180060155.db2.gz BQVPESUMHWOIDZ-BQFCYCMXSA-N 2 1 302.462 3.468 20 0 DGADMP OC1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001350365504 1180061466 /nfs/dbraw/zinc/06/14/66/1180061466.db2.gz SYUNWUZPNOFCKN-XBMUEBEBSA-N 2 1 308.510 3.126 20 0 DGADMP N[C@@H](c1noc([C@@H]([NH3+])C2CCCCCC2)n1)c1ccccc1 ZINC001352141074 1180301521 /nfs/dbraw/zinc/30/15/21/1180301521.db2.gz GVFJDTGLLBDCQY-CABCVRRESA-N 2 1 300.406 3.088 20 0 DGADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001352178314 1180306169 /nfs/dbraw/zinc/30/61/69/1180306169.db2.gz LFRSDZNTOYRXLI-QAPCUYQASA-N 2 1 304.482 3.146 20 0 DGADMP c1cc2c(nc[nH+]c2NCc2ccc(Nc3cc[nH+]cc3)cc2)[nH]1 ZINC001472843941 1180907436 /nfs/dbraw/zinc/90/74/36/1180907436.db2.gz XFMCLNHBSGCOBB-UHFFFAOYSA-N 2 1 316.368 3.131 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001200822552 1180940070 /nfs/dbraw/zinc/94/00/70/1180940070.db2.gz ULCZVKOSZPTZDX-ZWKOTPCHSA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(C)c1 ZINC001355372863 1181045830 /nfs/dbraw/zinc/04/58/30/1181045830.db2.gz GSGZYVNYDVYAHH-KSZLIROESA-N 2 1 302.462 3.166 20 0 DGADMP Brc1ccc([C@H]2CCC[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001574448495 1181756136 /nfs/dbraw/zinc/75/61/36/1181756136.db2.gz RBIZHBGNGPAGGC-OAHLLOKOSA-N 2 1 309.251 3.196 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccc(CSC(F)F)o2)CCC[NH2+]C1 ZINC001576525824 1181765850 /nfs/dbraw/zinc/76/58/50/1181765850.db2.gz ILZCPKGPXDRBIE-CQSZACIVSA-N 2 1 304.406 3.215 20 0 DGADMP C[C@@H]1C[N@H+](CC/C=C\c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC001579440472 1181783549 /nfs/dbraw/zinc/78/35/49/1181783549.db2.gz BUERGKNQGUNHSG-GFEROUPYSA-N 2 1 309.251 3.131 20 0 DGADMP C[C@@H]1C[N@@H+](CC/C=C\c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC001579440472 1181783560 /nfs/dbraw/zinc/78/35/60/1181783560.db2.gz BUERGKNQGUNHSG-GFEROUPYSA-N 2 1 309.251 3.131 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001447958784 1182199678 /nfs/dbraw/zinc/19/96/78/1182199678.db2.gz MOBACNAMLDSNEU-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC001459746106 1182611973 /nfs/dbraw/zinc/61/19/73/1182611973.db2.gz CNQPRIZVOYNGDE-OALUTQOASA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC001459746106 1182611974 /nfs/dbraw/zinc/61/19/74/1182611974.db2.gz CNQPRIZVOYNGDE-OALUTQOASA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001459746106 1182611976 /nfs/dbraw/zinc/61/19/76/1182611976.db2.gz CNQPRIZVOYNGDE-OALUTQOASA-N 2 1 306.494 3.031 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001461051839 1182761737 /nfs/dbraw/zinc/76/17/37/1182761737.db2.gz OSDVPVLWYKURJK-INIZCTEOSA-N 2 1 314.477 3.244 20 0 DGADMP CCOc1c(Cl)cccc1CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001461827266 1182862811 /nfs/dbraw/zinc/86/28/11/1182862811.db2.gz GMRPYRDBHXPSOJ-SQWLQELKSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001461827266 1182862821 /nfs/dbraw/zinc/86/28/21/1182862821.db2.gz GMRPYRDBHXPSOJ-SQWLQELKSA-N 2 1 308.853 3.169 20 0 DGADMP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001461827266 1182862826 /nfs/dbraw/zinc/86/28/26/1182862826.db2.gz GMRPYRDBHXPSOJ-SQWLQELKSA-N 2 1 308.853 3.169 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c(Br)c1 ZINC001461830777 1182864260 /nfs/dbraw/zinc/86/42/60/1182864260.db2.gz OWOBKJLHQDTCKF-SQWLQELKSA-N 2 1 323.278 3.187 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC001461830777 1182864266 /nfs/dbraw/zinc/86/42/66/1182864266.db2.gz OWOBKJLHQDTCKF-SQWLQELKSA-N 2 1 323.278 3.187 20 0 DGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001461829493 1182865603 /nfs/dbraw/zinc/86/56/03/1182865603.db2.gz KYPAHKGJTFGWAY-ZYSHUDEJSA-N 2 1 310.441 3.278 20 0 DGADMP CCOc1cc(F)cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001461919320 1182876291 /nfs/dbraw/zinc/87/62/91/1182876291.db2.gz NIDCORNKTAQRQS-INIZCTEOSA-N 2 1 320.452 3.388 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001461958087 1182884763 /nfs/dbraw/zinc/88/47/63/1182884763.db2.gz PQFNRFMDXAZDHM-HXUWFJFHSA-N 3 1 321.553 3.306 20 0 DGADMP CC(C)C[N@H+](Cc1cn(C2CC2)cn1)CC1CC[NH+](C)CC1 ZINC001462523867 1182964780 /nfs/dbraw/zinc/96/47/80/1182964780.db2.gz UKNMMVDJBFPIBT-UHFFFAOYSA-N 2 1 304.482 3.018 20 0 DGADMP C[C@@]1(Br)C[C@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001462671124 1182984739 /nfs/dbraw/zinc/98/47/39/1182984739.db2.gz WHZIQAOSUCTVPV-SMDDNHRTSA-N 2 1 303.288 3.012 20 0 DGADMP CCc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC001473578113 1183776665 /nfs/dbraw/zinc/77/66/65/1183776665.db2.gz QMAORTFXVHJSHD-FQEVSTJZSA-N 2 1 320.521 3.408 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC001473578113 1183776667 /nfs/dbraw/zinc/77/66/67/1183776667.db2.gz QMAORTFXVHJSHD-FQEVSTJZSA-N 2 1 320.521 3.408 20 0 DGADMP CCc1ccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC001473578113 1183776668 /nfs/dbraw/zinc/77/66/68/1183776668.db2.gz QMAORTFXVHJSHD-FQEVSTJZSA-N 2 1 320.521 3.408 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC001473929746 1183831545 /nfs/dbraw/zinc/83/15/45/1183831545.db2.gz IEHOVNBNEMXCFV-SFHVURJKSA-N 2 1 309.542 3.210 20 0 DGADMP C[C@@H](C[NH2+]Cc1cnc([C@H]2CCCO2)s1)C[NH+]1CCCCC1 ZINC001473949062 1183836334 /nfs/dbraw/zinc/83/63/34/1183836334.db2.gz LUGVYHRAUBWLIZ-GOEBONIOSA-N 2 1 323.506 3.206 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473957982 1183837123 /nfs/dbraw/zinc/83/71/23/1183837123.db2.gz YWQXAIHGQKVISO-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3nc2OC)C1 ZINC001473957982 1183837127 /nfs/dbraw/zinc/83/71/27/1183837127.db2.gz YWQXAIHGQKVISO-OAHLLOKOSA-N 2 1 313.445 3.065 20 0 DGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC001473961248 1183839031 /nfs/dbraw/zinc/83/90/31/1183839031.db2.gz ZJBFABBGWPIKHV-HNNXBMFYSA-N 2 1 302.462 3.364 20 0 DGADMP Cc1cccn2c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cnc12 ZINC001474000142 1183847161 /nfs/dbraw/zinc/84/71/61/1183847161.db2.gz SMRFBLDFFMWLRJ-MRXNPFEDSA-N 2 1 302.466 3.099 20 0 DGADMP CC[NH+](CC)CCOCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001474106815 1183868756 /nfs/dbraw/zinc/86/87/56/1183868756.db2.gz QAHCSWYOLMLMTI-UHFFFAOYSA-N 2 1 320.811 3.066 20 0 DGADMP CC(C)C[N@@H+](C)CCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC001474200131 1183882041 /nfs/dbraw/zinc/88/20/41/1183882041.db2.gz RDXNBMOHBYTCON-UHFFFAOYSA-N 2 1 318.383 3.479 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001474204936 1183882101 /nfs/dbraw/zinc/88/21/01/1183882101.db2.gz MXWTUGMNBJKMIL-AHRSYUTCSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339802 1183906265 /nfs/dbraw/zinc/90/62/65/1183906265.db2.gz NZKKAPROXQROLJ-FHWLQOOXSA-N 2 1 310.526 3.491 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)CC1 ZINC001474387381 1183913613 /nfs/dbraw/zinc/91/36/13/1183913613.db2.gz ZLCVXNVVEXANAU-INIZCTEOSA-N 2 1 307.507 3.493 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001474476349 1183928470 /nfs/dbraw/zinc/92/84/70/1183928470.db2.gz BYXFYFWOIOTJMT-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)CC1 ZINC001474503800 1183932050 /nfs/dbraw/zinc/93/20/50/1183932050.db2.gz RJKJHVNYWFIFSU-UWJYYQICSA-N 2 1 312.501 3.455 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001474634765 1183953230 /nfs/dbraw/zinc/95/32/30/1183953230.db2.gz YCTKINCTMGHTCE-RDJZCZTQSA-N 2 1 324.509 3.018 20 0 DGADMP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479689093 1184290502 /nfs/dbraw/zinc/29/05/02/1184290502.db2.gz BKDLVWWHIKJBSN-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC001655187720 1195887609 /nfs/dbraw/zinc/88/76/09/1195887609.db2.gz HCRDKGQGEBQEQX-UHFFFAOYSA-N 2 1 324.538 3.119 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001507372650 1186407738 /nfs/dbraw/zinc/40/77/38/1186407738.db2.gz CFKUAUUNTMCNDX-IRXDYDNUSA-N 2 1 323.525 3.020 20 0 DGADMP C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001515205976 1186748421 /nfs/dbraw/zinc/74/84/21/1186748421.db2.gz RNUGWYBFGFELQF-SUMWQHHRSA-N 2 1 319.811 3.401 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@H+](CC4CC4)C3)c12 ZINC001612661515 1193458880 /nfs/dbraw/zinc/45/88/80/1193458880.db2.gz IPZGKSJLMOQTQQ-CQSZACIVSA-N 2 1 313.449 3.006 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@@H+](CC4CC4)C3)c12 ZINC001612661515 1193458881 /nfs/dbraw/zinc/45/88/81/1193458881.db2.gz IPZGKSJLMOQTQQ-CQSZACIVSA-N 2 1 313.449 3.006 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)c2C1 ZINC001521463762 1187024642 /nfs/dbraw/zinc/02/46/42/1187024642.db2.gz NJUIWEHXHUVBQN-MRXNPFEDSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)c2C1 ZINC001521463762 1187024649 /nfs/dbraw/zinc/02/46/49/1187024649.db2.gz NJUIWEHXHUVBQN-MRXNPFEDSA-N 2 1 303.450 3.114 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)C(C)C ZINC001615318066 1193520121 /nfs/dbraw/zinc/52/01/21/1193520121.db2.gz CMHKULDESINSBN-KRWDZBQOSA-N 2 1 304.478 3.385 20 0 DGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)C(C)C ZINC001615318066 1193520125 /nfs/dbraw/zinc/52/01/25/1193520125.db2.gz CMHKULDESINSBN-KRWDZBQOSA-N 2 1 304.478 3.385 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001615674545 1193525813 /nfs/dbraw/zinc/52/58/13/1193525813.db2.gz QHXAOIQUOKZXNU-MRXNPFEDSA-N 2 1 312.498 3.020 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001615674620 1193525913 /nfs/dbraw/zinc/52/59/13/1193525913.db2.gz SKIVUKFPHHFMOB-MSOLQXFVSA-N 2 1 308.510 3.247 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001615674623 1193526060 /nfs/dbraw/zinc/52/60/60/1193526060.db2.gz SKIVUKFPHHFMOB-ZWKOTPCHSA-N 2 1 308.510 3.247 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001615744122 1193526969 /nfs/dbraw/zinc/52/69/69/1193526969.db2.gz OJALVHJNYADCRX-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001615744122 1193526972 /nfs/dbraw/zinc/52/69/72/1193526972.db2.gz OJALVHJNYADCRX-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001615744122 1193526975 /nfs/dbraw/zinc/52/69/75/1193526975.db2.gz OJALVHJNYADCRX-QZTJIDSGSA-N 2 1 308.510 3.390 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001615804562 1193528649 /nfs/dbraw/zinc/52/86/49/1193528649.db2.gz FILQMVUMWAAFOY-KRWDZBQOSA-N 2 1 324.509 3.020 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001615804562 1193528651 /nfs/dbraw/zinc/52/86/51/1193528651.db2.gz FILQMVUMWAAFOY-KRWDZBQOSA-N 2 1 324.509 3.020 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001615804562 1193528653 /nfs/dbraw/zinc/52/86/53/1193528653.db2.gz FILQMVUMWAAFOY-KRWDZBQOSA-N 2 1 324.509 3.020 20 0 DGADMP Cc1cccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001616739238 1193546035 /nfs/dbraw/zinc/54/60/35/1193546035.db2.gz WTJFBIHQLCUXBQ-QZTJIDSGSA-N 2 1 306.494 3.373 20 0 DGADMP C[C@@H]1[C@H](C)N(Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC001616754472 1193546591 /nfs/dbraw/zinc/54/65/91/1193546591.db2.gz RDUWNTLYOAIVMC-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC001616754472 1193546594 /nfs/dbraw/zinc/54/65/94/1193546594.db2.gz RDUWNTLYOAIVMC-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC001616754472 1193546595 /nfs/dbraw/zinc/54/65/95/1193546595.db2.gz RDUWNTLYOAIVMC-MSOLQXFVSA-N 2 1 315.505 3.197 20 0 DGADMP CO[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001548928483 1188481922 /nfs/dbraw/zinc/48/19/22/1188481922.db2.gz JXACFBSHKYFPCK-FYZZASKESA-N 2 1 322.452 3.382 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)o2)cc1 ZINC001549118077 1188496919 /nfs/dbraw/zinc/49/69/19/1188496919.db2.gz VGKJNXDYFUPSCD-QFBILLFUSA-N 2 1 311.429 3.211 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)o2)cc1 ZINC001549118077 1188496923 /nfs/dbraw/zinc/49/69/23/1188496923.db2.gz VGKJNXDYFUPSCD-QFBILLFUSA-N 2 1 311.429 3.211 20 0 DGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2cccc3ccccc32)CC1 ZINC001550152732 1188587137 /nfs/dbraw/zinc/58/71/37/1188587137.db2.gz SSGFLNZMVUYXEH-HXUWFJFHSA-N 2 1 324.468 3.433 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@@H]32)C1 ZINC001550350761 1188609070 /nfs/dbraw/zinc/60/90/70/1188609070.db2.gz ZCFICTXDGVVASR-YCVVXREPSA-N 2 1 300.446 3.108 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]C3CCC(C)CC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550352856 1188609172 /nfs/dbraw/zinc/60/91/72/1188609172.db2.gz JWRZKBMTVYLYQQ-BLUBZBIGSA-N 2 1 308.510 3.025 20 0 DGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@H]32)C1 ZINC001550350756 1188609230 /nfs/dbraw/zinc/60/92/30/1188609230.db2.gz ZCFICTXDGVVASR-DZRGKWQISA-N 2 1 300.446 3.108 20 0 DGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cs1 ZINC001550353320 1188609871 /nfs/dbraw/zinc/60/98/71/1188609871.db2.gz ROUCMLGCRMPJSU-JWYNJWGYSA-N 2 1 322.518 3.187 20 0 DGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001550353473 1188609967 /nfs/dbraw/zinc/60/99/67/1188609967.db2.gz SCYCMAQIWGPNEA-SGYMCOKNSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]CC3CCCCC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423060 1188615131 /nfs/dbraw/zinc/61/51/31/1188615131.db2.gz HIFCZNMPPGVNQP-HCXYKTFWSA-N 2 1 308.510 3.026 20 0 DGADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)sc1C(C)(C)C ZINC001550543761 1188621853 /nfs/dbraw/zinc/62/18/53/1188621853.db2.gz WVGUYPYAOOSAPI-KBPBESRZSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@H]3C2)sc1C(C)(C)C ZINC001550543761 1188621857 /nfs/dbraw/zinc/62/18/57/1188621857.db2.gz WVGUYPYAOOSAPI-KBPBESRZSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)sc1C(C)(C)C ZINC001550543761 1188621858 /nfs/dbraw/zinc/62/18/58/1188621858.db2.gz WVGUYPYAOOSAPI-KBPBESRZSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)sc1C(C)(C)C ZINC001550543761 1188621861 /nfs/dbraw/zinc/62/18/61/1188621861.db2.gz WVGUYPYAOOSAPI-KBPBESRZSA-N 2 1 307.507 3.133 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540842 1188621876 /nfs/dbraw/zinc/62/18/76/1188621876.db2.gz LUVFUJKVHCWZEJ-ZFWWWQNUSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540842 1188621879 /nfs/dbraw/zinc/62/18/79/1188621879.db2.gz LUVFUJKVHCWZEJ-ZFWWWQNUSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540842 1188621882 /nfs/dbraw/zinc/62/18/82/1188621882.db2.gz LUVFUJKVHCWZEJ-ZFWWWQNUSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540842 1188621883 /nfs/dbraw/zinc/62/18/83/1188621883.db2.gz LUVFUJKVHCWZEJ-ZFWWWQNUSA-N 2 1 317.458 3.095 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@H]4C3)o2)cc1 ZINC001550541790 1188622402 /nfs/dbraw/zinc/62/24/02/1188622402.db2.gz FIDNFWNOOYZSNK-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@H]4C3)o2)cc1 ZINC001550541790 1188622405 /nfs/dbraw/zinc/62/24/05/1188622405.db2.gz FIDNFWNOOYZSNK-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)o2)cc1 ZINC001550541790 1188622408 /nfs/dbraw/zinc/62/24/08/1188622408.db2.gz FIDNFWNOOYZSNK-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)o2)cc1 ZINC001550541790 1188622411 /nfs/dbraw/zinc/62/24/11/1188622411.db2.gz FIDNFWNOOYZSNK-IRXDYDNUSA-N 2 1 311.429 3.034 20 0 DGADMP COc1cccc(C2CC([N@@H+](C)CC3CC[NH+](C)CC3)C2)c1 ZINC001550634451 1188634672 /nfs/dbraw/zinc/63/46/72/1188634672.db2.gz MNVPJEVLDRRNHQ-UHFFFAOYSA-N 2 1 302.462 3.215 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H]2CC(F)(F)CO2)C1)C1CCCC1 ZINC001550702197 1188642887 /nfs/dbraw/zinc/64/28/87/1188642887.db2.gz JBYGMWQPRQTTAZ-FVQBIDKESA-N 2 1 316.436 3.030 20 0 DGADMP FC1(F)[C@@H](c2ccccc2)[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001550943160 1188673142 /nfs/dbraw/zinc/67/31/42/1188673142.db2.gz BHWQLWMRMAPENM-OAGGEKHMSA-N 2 1 306.400 3.300 20 0 DGADMP O[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC2CCC1CC2 ZINC001551377042 1188732006 /nfs/dbraw/zinc/73/20/06/1188732006.db2.gz BDJVTXNMHVJUPY-FLLWYEDFSA-N 2 1 314.473 3.011 20 0 DGADMP c1cc(C[N@H+]2CC[C@H]3COCC[C@@H]32)cc(C[NH+]2CCCCC2)c1 ZINC001551391990 1188734787 /nfs/dbraw/zinc/73/47/87/1188734787.db2.gz SHTSUIILLKIYSE-PMACEKPBSA-N 2 1 314.473 3.283 20 0 DGADMP C[C@H](O)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001552216671 1188825368 /nfs/dbraw/zinc/82/53/68/1188825368.db2.gz XVJVXZKQFFLBMD-LPHOPBHVSA-N 2 1 302.462 3.018 20 0 DGADMP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001553025808 1188891208 /nfs/dbraw/zinc/89/12/08/1188891208.db2.gz PBDZUBQFWRVGDB-CEXWTWQISA-N 3 1 319.537 3.199 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987728 1193587900 /nfs/dbraw/zinc/58/79/00/1193587900.db2.gz XHINXJKQMAGULA-QZTJIDSGSA-N 2 1 306.494 3.284 20 0 DGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001617987728 1193587903 /nfs/dbraw/zinc/58/79/03/1193587903.db2.gz XHINXJKQMAGULA-QZTJIDSGSA-N 2 1 306.494 3.284 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@@H+]1C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001553305975 1188915426 /nfs/dbraw/zinc/91/54/26/1188915426.db2.gz YRWIGYXHZTUREB-OWYHZJEWSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]C[C@@]12CC[C@@H](C[N@H+]1C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC001553305975 1188915428 /nfs/dbraw/zinc/91/54/28/1188915428.db2.gz YRWIGYXHZTUREB-OWYHZJEWSA-N 2 1 300.446 3.110 20 0 DGADMP CC(C)C[N@@H+](C)CCCNc1nc2ccccc2n2cncc12 ZINC001559229091 1189183726 /nfs/dbraw/zinc/18/37/26/1189183726.db2.gz ZJWKKSKFVMNIDJ-UHFFFAOYSA-N 2 1 311.433 3.272 20 0 DGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567999 1189218373 /nfs/dbraw/zinc/21/83/73/1189218373.db2.gz OMNIAZRFGGTZSQ-ZNMIVQPWSA-N 2 1 322.415 3.293 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567999 1189218377 /nfs/dbraw/zinc/21/83/77/1189218377.db2.gz OMNIAZRFGGTZSQ-ZNMIVQPWSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567999 1189218379 /nfs/dbraw/zinc/21/83/79/1189218379.db2.gz OMNIAZRFGGTZSQ-ZNMIVQPWSA-N 2 1 322.415 3.293 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001559567999 1189218384 /nfs/dbraw/zinc/21/83/84/1189218384.db2.gz OMNIAZRFGGTZSQ-ZNMIVQPWSA-N 2 1 322.415 3.293 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001559852316 1189250522 /nfs/dbraw/zinc/25/05/22/1189250522.db2.gz KRBQXBCKAGPQLD-OKZBNKHCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001559852316 1189250526 /nfs/dbraw/zinc/25/05/26/1189250526.db2.gz KRBQXBCKAGPQLD-OKZBNKHCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001559852316 1189250530 /nfs/dbraw/zinc/25/05/30/1189250530.db2.gz KRBQXBCKAGPQLD-OKZBNKHCSA-N 2 1 320.427 3.453 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCCC[C@@H]1O ZINC001560042894 1189272031 /nfs/dbraw/zinc/27/20/31/1189272031.db2.gz DRCJCEVNFALPEX-MOPGFXCFSA-N 2 1 304.478 3.121 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCCC[C@H]1O ZINC001560042896 1189272977 /nfs/dbraw/zinc/27/29/77/1189272977.db2.gz DRCJCEVNFALPEX-RBUKOAKNSA-N 2 1 304.478 3.121 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001560068726 1189274973 /nfs/dbraw/zinc/27/49/73/1189274973.db2.gz GTXWPZCHOKZNJU-KRWDZBQOSA-N 2 1 305.466 3.378 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001560068726 1189274978 /nfs/dbraw/zinc/27/49/78/1189274978.db2.gz GTXWPZCHOKZNJU-KRWDZBQOSA-N 2 1 305.466 3.378 20 0 DGADMP Cc1cccnc1C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069025 1189275201 /nfs/dbraw/zinc/27/52/01/1189275201.db2.gz KKGSWYRBPRPHRQ-SFHVURJKSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1cccnc1C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069025 1189275204 /nfs/dbraw/zinc/27/52/04/1189275204.db2.gz KKGSWYRBPRPHRQ-SFHVURJKSA-N 2 1 301.478 3.476 20 0 DGADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102061 1189278740 /nfs/dbraw/zinc/27/87/40/1189278740.db2.gz CKAYPTKFHFNVEM-MOPGFXCFSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2(C)C)cc1 ZINC001560102061 1189278742 /nfs/dbraw/zinc/27/87/42/1189278742.db2.gz CKAYPTKFHFNVEM-MOPGFXCFSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102061 1189278745 /nfs/dbraw/zinc/27/87/45/1189278745.db2.gz CKAYPTKFHFNVEM-MOPGFXCFSA-N 2 1 316.489 3.018 20 0 DGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2(C)C)cc1 ZINC001560102061 1189278747 /nfs/dbraw/zinc/27/87/47/1189278747.db2.gz CKAYPTKFHFNVEM-MOPGFXCFSA-N 2 1 316.489 3.018 20 0 DGADMP CC(C)[NH+](CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001560245584 1189298321 /nfs/dbraw/zinc/29/83/21/1189298321.db2.gz HSQLFEONUGCEKG-QUCCMNQESA-N 2 1 317.521 3.215 20 0 DGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccc1F ZINC001560271021 1189303559 /nfs/dbraw/zinc/30/35/59/1189303559.db2.gz RSSYDJYIKMZWAF-OAHLLOKOSA-N 2 1 308.441 3.436 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001560274753 1189303567 /nfs/dbraw/zinc/30/35/67/1189303567.db2.gz ONZZYMJIPAHIHF-UHFFFAOYSA-N 2 1 324.472 3.349 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001560291233 1189306425 /nfs/dbraw/zinc/30/64/25/1189306425.db2.gz IBQYYMVRCYCGLR-LRYGQEGESA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001560320210 1189311051 /nfs/dbraw/zinc/31/10/51/1189311051.db2.gz RLZZSLXMMGVFHD-ICSRJNTNSA-N 2 1 323.569 3.455 20 0 DGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001560320211 1189311314 /nfs/dbraw/zinc/31/13/14/1189311314.db2.gz RLZZSLXMMGVFHD-QUCCMNQESA-N 2 1 323.569 3.455 20 0 DGADMP COc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560436006 1189328605 /nfs/dbraw/zinc/32/86/05/1189328605.db2.gz MWPQENAFJWMMFB-DOTOQJQBSA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560436006 1189328610 /nfs/dbraw/zinc/32/86/10/1189328610.db2.gz MWPQENAFJWMMFB-DOTOQJQBSA-N 2 1 302.462 3.438 20 0 DGADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001560436318 1189328725 /nfs/dbraw/zinc/32/87/25/1189328725.db2.gz AWCITOYYGBIZLU-HNNXBMFYSA-N 2 1 306.450 3.058 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2Cc2ccccc2OC)CC1 ZINC001560650959 1189355558 /nfs/dbraw/zinc/35/55/58/1189355558.db2.gz DBXBEWATDUUCLH-IBGZPJMESA-N 2 1 316.489 3.434 20 0 DGADMP CC(C)OC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001560965442 1189411869 /nfs/dbraw/zinc/41/18/69/1189411869.db2.gz REYUBZQDZSODBK-YUKKFIBKSA-N 2 1 316.489 3.300 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001566930326 1189960017 /nfs/dbraw/zinc/96/00/17/1189960017.db2.gz VMFMTMMJATXUDV-GOSISDBHSA-N 2 1 323.525 3.023 20 0 DGADMP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001569442650 1190699334 /nfs/dbraw/zinc/69/93/34/1190699334.db2.gz CEIZVNQOSAUHMI-AYHJJNSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001570660296 1190912970 /nfs/dbraw/zinc/91/29/70/1190912970.db2.gz SYUOOLWXXWMKTM-ABHNRTSZSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001571459667 1191023603 /nfs/dbraw/zinc/02/36/03/1191023603.db2.gz IRXICQIHFKCEPI-SJLPKXTDSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001571459665 1191023718 /nfs/dbraw/zinc/02/37/18/1191023718.db2.gz IRXICQIHFKCEPI-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP C([C@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001574801733 1191452686 /nfs/dbraw/zinc/45/26/86/1191452686.db2.gz VOGJNUILIXNJKC-MSOLQXFVSA-N 2 1 306.494 3.049 20 0 DGADMP C([C@@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001574801738 1191453057 /nfs/dbraw/zinc/45/30/57/1191453057.db2.gz VOGJNUILIXNJKC-ZWKOTPCHSA-N 2 1 306.494 3.049 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001575453837 1191483497 /nfs/dbraw/zinc/48/34/97/1191483497.db2.gz UZAFPHHTCYLFFQ-CABCVRRESA-N 2 1 319.276 3.332 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001575453837 1191483501 /nfs/dbraw/zinc/48/35/01/1191483501.db2.gz UZAFPHHTCYLFFQ-CABCVRRESA-N 2 1 319.276 3.332 20 0 DGADMP CC(C)C[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC001575544167 1191490275 /nfs/dbraw/zinc/49/02/75/1191490275.db2.gz GFTOPGBBABQNBZ-OWCLPIDISA-N 2 1 312.498 3.111 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001575700325 1191503737 /nfs/dbraw/zinc/50/37/37/1191503737.db2.gz QCFNLPXHASEZAL-MOPGFXCFSA-N 2 1 319.537 3.103 20 0 DGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001575700325 1191503744 /nfs/dbraw/zinc/50/37/44/1191503744.db2.gz QCFNLPXHASEZAL-MOPGFXCFSA-N 2 1 319.537 3.103 20 0 DGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC001575741386 1191504892 /nfs/dbraw/zinc/50/48/92/1191504892.db2.gz QDWLNZBVFNWTJT-MAUKXSAKSA-N 2 1 318.461 3.201 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@]3(C[NH3+])CCCC[C@@H]3C)cnc21 ZINC001575909160 1191515632 /nfs/dbraw/zinc/51/56/32/1191515632.db2.gz FMUAXBMMNLLWBL-KSSFIOAISA-N 2 1 315.465 3.009 20 0 DGADMP C[C@@H](C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC001575974556 1191520932 /nfs/dbraw/zinc/52/09/32/1191520932.db2.gz BWJVODDWHCJPPJ-FUHWJXTLSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001576053443 1191525424 /nfs/dbraw/zinc/52/54/24/1191525424.db2.gz XUCVMMYHDMQVOE-RISCZKNCSA-N 2 1 300.368 3.224 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC001576301368 1191557097 /nfs/dbraw/zinc/55/70/97/1191557097.db2.gz MBOAKHDKNVBDBP-HNNXBMFYSA-N 2 1 321.896 3.161 20 0 DGADMP C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001576315367 1191559222 /nfs/dbraw/zinc/55/92/22/1191559222.db2.gz JQVDLHQBWGWOOY-HNNXBMFYSA-N 2 1 315.486 3.086 20 0 DGADMP C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC001576315367 1191559225 /nfs/dbraw/zinc/55/92/25/1191559225.db2.gz JQVDLHQBWGWOOY-HNNXBMFYSA-N 2 1 315.486 3.086 20 0 DGADMP CC1(C)[C@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C[C@@H]1[NH3+] ZINC001576380527 1191578204 /nfs/dbraw/zinc/57/82/04/1191578204.db2.gz TYQUGGHYECZGRW-QWHCGFSZSA-N 2 1 323.412 3.304 20 0 DGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)[NH2+]C1 ZINC001576420928 1191608260 /nfs/dbraw/zinc/60/82/60/1191608260.db2.gz BYKMOBIJDZOPKW-KZNAEPCWSA-N 2 1 308.510 3.340 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC001620529662 1193775905 /nfs/dbraw/zinc/77/59/05/1193775905.db2.gz CSERCJFEJSXJEE-AYOQOUSVSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC001620529662 1193775906 /nfs/dbraw/zinc/77/59/06/1193775906.db2.gz CSERCJFEJSXJEE-AYOQOUSVSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC001620529662 1193775908 /nfs/dbraw/zinc/77/59/08/1193775908.db2.gz CSERCJFEJSXJEE-AYOQOUSVSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC001620529662 1193775910 /nfs/dbraw/zinc/77/59/10/1193775910.db2.gz CSERCJFEJSXJEE-AYOQOUSVSA-N 2 1 316.489 3.098 20 0 DGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001620529662 1193775912 /nfs/dbraw/zinc/77/59/12/1193775912.db2.gz CSERCJFEJSXJEE-AYOQOUSVSA-N 2 1 316.489 3.098 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001620584684 1193780877 /nfs/dbraw/zinc/78/08/77/1193780877.db2.gz ZNCBROHZUFPMHH-MJGOQNOKSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001620584684 1193780879 /nfs/dbraw/zinc/78/08/79/1193780879.db2.gz ZNCBROHZUFPMHH-MJGOQNOKSA-N 2 1 307.526 3.198 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001620584684 1193780880 /nfs/dbraw/zinc/78/08/80/1193780880.db2.gz ZNCBROHZUFPMHH-MJGOQNOKSA-N 2 1 307.526 3.198 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001621108792 1193803971 /nfs/dbraw/zinc/80/39/71/1193803971.db2.gz YSFYGSIGGJZNOO-NWANDNLSSA-N 2 1 310.388 3.026 20 0 DGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001621108792 1193803979 /nfs/dbraw/zinc/80/39/79/1193803979.db2.gz YSFYGSIGGJZNOO-NWANDNLSSA-N 2 1 310.388 3.026 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC(C)C)nc2)[C@@H](C)C1 ZINC001621122970 1193805593 /nfs/dbraw/zinc/80/55/93/1193805593.db2.gz NJXSDTRNOWAURP-LPHOPBHVSA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@@H](C)C1 ZINC001621122970 1193805596 /nfs/dbraw/zinc/80/55/96/1193805596.db2.gz NJXSDTRNOWAURP-LPHOPBHVSA-N 2 1 303.494 3.442 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)[C@@H](C)C1 ZINC001621122970 1193805599 /nfs/dbraw/zinc/80/55/99/1193805599.db2.gz NJXSDTRNOWAURP-LPHOPBHVSA-N 2 1 303.494 3.442 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001621309896 1193829018 /nfs/dbraw/zinc/82/90/18/1193829018.db2.gz XVSCJBOLJNXQCQ-LJQANCHMSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC001621309896 1193829021 /nfs/dbraw/zinc/82/90/21/1193829021.db2.gz XVSCJBOLJNXQCQ-LJQANCHMSA-N 2 1 307.526 3.103 20 0 DGADMP CN(CCC[N@@H+](C)Cc1ccc(C2CCC2)cc1)CC[NH+](C)C ZINC001621373794 1193835046 /nfs/dbraw/zinc/83/50/46/1193835046.db2.gz GEXJRKNHYWCKMV-UHFFFAOYSA-N 2 1 317.521 3.269 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC001621521438 1193853166 /nfs/dbraw/zinc/85/31/66/1193853166.db2.gz ZXZMFWGSBNZHGK-OAHLLOKOSA-N 2 1 308.416 3.486 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001623100290 1193920213 /nfs/dbraw/zinc/92/02/13/1193920213.db2.gz DNPLAWSJBWECJK-QGZVFWFLSA-N 2 1 317.477 3.116 20 0 DGADMP CN(CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC001641803601 1194872064 /nfs/dbraw/zinc/87/20/64/1194872064.db2.gz RHUKCQULPSDBQW-IBGZPJMESA-N 2 1 315.505 3.321 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC001641879203 1194877378 /nfs/dbraw/zinc/87/73/78/1194877378.db2.gz FCRBKICSRRZJQV-VAMGGRTRSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC001641879203 1194877381 /nfs/dbraw/zinc/87/73/81/1194877381.db2.gz FCRBKICSRRZJQV-VAMGGRTRSA-N 2 1 318.505 3.346 20 0 DGADMP CC[C@H](c1ccccc1)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC001641879203 1194877383 /nfs/dbraw/zinc/87/73/83/1194877383.db2.gz FCRBKICSRRZJQV-VAMGGRTRSA-N 2 1 318.505 3.346 20 0 DGADMP CCN(CCC[NH+](CC)CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001642625068 1194923963 /nfs/dbraw/zinc/92/39/63/1194923963.db2.gz NQCIYQYILHUDED-HXUWFJFHSA-N 2 1 317.521 3.315 20 0 DGADMP COCC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC001644099486 1195080858 /nfs/dbraw/zinc/08/08/58/1195080858.db2.gz UDOCOAVVTCGPNR-MSOLQXFVSA-N 2 1 310.526 3.493 20 0 DGADMP C([C@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001644658698 1195123581 /nfs/dbraw/zinc/12/35/81/1195123581.db2.gz YLSKMJFSBMWCCK-MSOLQXFVSA-N 2 1 322.493 3.013 20 0 DGADMP C([C@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001644658698 1195123583 /nfs/dbraw/zinc/12/35/83/1195123583.db2.gz YLSKMJFSBMWCCK-MSOLQXFVSA-N 2 1 322.493 3.013 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001644681427 1195126565 /nfs/dbraw/zinc/12/65/65/1195126565.db2.gz DRRPKCGSJJZHCP-WDSOQIARSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001644681427 1195126566 /nfs/dbraw/zinc/12/65/66/1195126566.db2.gz DRRPKCGSJJZHCP-WDSOQIARSA-N 2 1 304.478 3.081 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001644681427 1195126570 /nfs/dbraw/zinc/12/65/70/1195126570.db2.gz DRRPKCGSJJZHCP-WDSOQIARSA-N 2 1 304.478 3.081 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001645096671 1195155568 /nfs/dbraw/zinc/15/55/68/1195155568.db2.gz CQCBZKGESZQHLU-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001645857640 1195205270 /nfs/dbraw/zinc/20/52/70/1195205270.db2.gz RJYRBNKVVMNTHI-BZSNNMDCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001645857640 1195205273 /nfs/dbraw/zinc/20/52/73/1195205273.db2.gz RJYRBNKVVMNTHI-BZSNNMDCSA-N 2 1 320.427 3.453 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001645857640 1195205277 /nfs/dbraw/zinc/20/52/77/1195205277.db2.gz RJYRBNKVVMNTHI-BZSNNMDCSA-N 2 1 320.427 3.453 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001646461348 1195229442 /nfs/dbraw/zinc/22/94/42/1195229442.db2.gz CAONMVHPZQXXKK-OXJNMPFZSA-N 2 1 312.457 3.289 20 0 DGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001646461348 1195229445 /nfs/dbraw/zinc/22/94/45/1195229445.db2.gz CAONMVHPZQXXKK-OXJNMPFZSA-N 2 1 312.457 3.289 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000063917532 1195325158 /nfs/dbraw/zinc/32/51/58/1195325158.db2.gz AHFABKYMPGYOHF-AWEZNQCLSA-N 2 1 316.367 3.407 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2c1CCOC2)Cc1ccccc1 ZINC001648728389 1195326479 /nfs/dbraw/zinc/32/64/79/1195326479.db2.gz SAMXTAPENBEPNC-UHFFFAOYSA-N 2 1 324.468 3.371 20 0 DGADMP CO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1cccc(Cl)c1 ZINC001650545880 1195362795 /nfs/dbraw/zinc/36/27/95/1195362795.db2.gz RRIFSWPWRBBSGO-KRWDZBQOSA-N 2 1 319.836 3.278 20 0 DGADMP CC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1ccccc1C ZINC001650622027 1195365918 /nfs/dbraw/zinc/36/59/18/1195365918.db2.gz WUMKLRSIBNVLPM-KRWDZBQOSA-N 2 1 313.445 3.403 20 0 DGADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc(C)c1OC(F)F ZINC001651380347 1195452648 /nfs/dbraw/zinc/45/26/48/1195452648.db2.gz SNFVHZGUJHBIPP-CYBMUJFWSA-N 2 1 300.393 3.335 20 0 DGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663743 1195493411 /nfs/dbraw/zinc/49/34/11/1195493411.db2.gz KKNTXTJFYGCLAT-PKOBYXMFSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)(C)C2)C1 ZINC001651663743 1195493413 /nfs/dbraw/zinc/49/34/13/1195493413.db2.gz KKNTXTJFYGCLAT-PKOBYXMFSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001651663743 1195493415 /nfs/dbraw/zinc/49/34/15/1195493415.db2.gz KKNTXTJFYGCLAT-PKOBYXMFSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+]2CCC(C)(C)C2)C1 ZINC001651663743 1195493418 /nfs/dbraw/zinc/49/34/18/1195493418.db2.gz KKNTXTJFYGCLAT-PKOBYXMFSA-N 2 1 315.505 3.143 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC001651697541 1195497857 /nfs/dbraw/zinc/49/78/57/1195497857.db2.gz CENNQWDVQLJOPO-BPUTZDHNSA-N 2 1 305.491 3.231 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnc(C4CCCC4)s3)[C@H]2C1 ZINC001651697541 1195497861 /nfs/dbraw/zinc/49/78/61/1195497861.db2.gz CENNQWDVQLJOPO-BPUTZDHNSA-N 2 1 305.491 3.231 20 0 DGADMP C[C@H](Cc1ccno1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001652028160 1195538970 /nfs/dbraw/zinc/53/89/70/1195538970.db2.gz KFQWZCUIPSWWTO-JFIYKMOQSA-N 2 1 313.445 3.106 20 0 DGADMP C[C@H](Cc1ccno1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001652028163 1195539190 /nfs/dbraw/zinc/53/91/90/1195539190.db2.gz KFQWZCUIPSWWTO-SOLBZPMBSA-N 2 1 313.445 3.106 20 0 DGADMP COc1cccc(C2CC([NH2+]CC[N@@H+]3CCCC3(C)C)C2)c1 ZINC001652652059 1195631394 /nfs/dbraw/zinc/63/13/94/1195631394.db2.gz WTNKTZZZDXZYSQ-UHFFFAOYSA-N 2 1 302.462 3.405 20 0 DGADMP COc1cccc(C2CC([NH2+]CC[N@H+]3CCCC3(C)C)C2)c1 ZINC001652652059 1195631397 /nfs/dbraw/zinc/63/13/97/1195631397.db2.gz WTNKTZZZDXZYSQ-UHFFFAOYSA-N 2 1 302.462 3.405 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC001652936582 1195672264 /nfs/dbraw/zinc/67/22/64/1195672264.db2.gz AYHFYCKHRSLSTQ-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC001652936582 1195672266 /nfs/dbraw/zinc/67/22/66/1195672266.db2.gz AYHFYCKHRSLSTQ-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001652998380 1195678847 /nfs/dbraw/zinc/67/88/47/1195678847.db2.gz MNAORFACCDMOQQ-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001652998380 1195678849 /nfs/dbraw/zinc/67/88/49/1195678849.db2.gz MNAORFACCDMOQQ-INIZCTEOSA-N 2 1 324.509 3.162 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000068353141 1195715594 /nfs/dbraw/zinc/71/55/94/1195715594.db2.gz FMBXXVWQJOZEOP-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C(C)C ZINC001654515450 1195812660 /nfs/dbraw/zinc/81/26/60/1195812660.db2.gz OLLMKMNNHKMQJE-RBUKOAKNSA-N 2 1 310.526 3.491 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000069785289 1195820394 /nfs/dbraw/zinc/82/03/94/1195820394.db2.gz LRSJUPSDOSWAOO-UHFFFAOYSA-N 2 1 323.484 3.032 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001654626068 1195823790 /nfs/dbraw/zinc/82/37/90/1195823790.db2.gz BOHRKOPSNHZBEI-QGZVFWFLSA-N 2 1 312.498 3.162 20 0 DGADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001654626068 1195823793 /nfs/dbraw/zinc/82/37/93/1195823793.db2.gz BOHRKOPSNHZBEI-QGZVFWFLSA-N 2 1 312.498 3.162 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)CCN1c1cc[nH+]cc1 ZINC001654659507 1195827570 /nfs/dbraw/zinc/82/75/70/1195827570.db2.gz BSLMCTYZHLVLLD-ZMYBRWDISA-N 2 1 311.404 3.287 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001654937014 1195856075 /nfs/dbraw/zinc/85/60/75/1195856075.db2.gz WDKYUIAADDWUES-GOSISDBHSA-N 2 1 324.896 3.355 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001654937014 1195856079 /nfs/dbraw/zinc/85/60/79/1195856079.db2.gz WDKYUIAADDWUES-GOSISDBHSA-N 2 1 324.896 3.355 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001655063400 1195871638 /nfs/dbraw/zinc/87/16/38/1195871638.db2.gz RMOSZZCUPATQNV-KRWDZBQOSA-N 2 1 313.445 3.156 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001655063400 1195871644 /nfs/dbraw/zinc/87/16/44/1195871644.db2.gz RMOSZZCUPATQNV-KRWDZBQOSA-N 2 1 313.445 3.156 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1SC ZINC001655325394 1195903976 /nfs/dbraw/zinc/90/39/76/1195903976.db2.gz LMNMGYQDGZPVLB-UHFFFAOYSA-N 2 1 320.502 3.381 20 0 DGADMP CSCCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001655528925 1195928104 /nfs/dbraw/zinc/92/81/04/1195928104.db2.gz IYUBXPDLLQRJQF-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001655528925 1195928107 /nfs/dbraw/zinc/92/81/07/1195928107.db2.gz IYUBXPDLLQRJQF-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001655528925 1195928114 /nfs/dbraw/zinc/92/81/14/1195928114.db2.gz IYUBXPDLLQRJQF-ZWKOTPCHSA-N 2 1 304.503 3.193 20 0 DGADMP FC1(F)CCC[C@@H]1CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001655578244 1195935248 /nfs/dbraw/zinc/93/52/48/1195935248.db2.gz GXOTZZGQOAOJTK-CQSZACIVSA-N 2 1 316.436 3.045 20 0 DGADMP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC001655905580 1195975986 /nfs/dbraw/zinc/97/59/86/1195975986.db2.gz XEVHVQSHPLWFCT-UHFFFAOYSA-N 2 1 322.412 3.455 20 0 DGADMP C[NH+](C)CC1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CCCC1 ZINC001656063533 1195994297 /nfs/dbraw/zinc/99/42/97/1195994297.db2.gz FGNKKBJGJHNVNU-UHFFFAOYSA-N 2 1 300.368 3.316 20 0 DGADMP FC(F)COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001656081470 1195995374 /nfs/dbraw/zinc/99/53/74/1195995374.db2.gz ABMVHOQLUOKCII-UHFFFAOYSA-N 2 1 324.415 3.295 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC001656248433 1196023396 /nfs/dbraw/zinc/02/33/96/1196023396.db2.gz CDVYWVLJDDPYCN-UHFFFAOYSA-N 2 1 300.793 3.183 20 0 DGADMP Cc1cc(N2CCC([NH2+]C[C@H]3CCCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001656633976 1196056652 /nfs/dbraw/zinc/05/66/52/1196056652.db2.gz XOWXZPPSJHODGK-WMLDXEAASA-N 2 1 316.493 3.478 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC001656999220 1196091366 /nfs/dbraw/zinc/09/13/66/1196091366.db2.gz VUUIACCTNOLKKT-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c(C)c1 ZINC001657148623 1196111724 /nfs/dbraw/zinc/11/17/24/1196111724.db2.gz JZSCLPKOUDWJED-NZSAHSFTSA-N 2 1 302.462 3.214 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001657215097 1196119775 /nfs/dbraw/zinc/11/97/75/1196119775.db2.gz VJQSLUSLTPMJBV-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001657215097 1196119777 /nfs/dbraw/zinc/11/97/77/1196119777.db2.gz VJQSLUSLTPMJBV-APWZRJJASA-N 2 1 322.468 3.361 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@]3(C)CCCCO3)C2)CC1 ZINC001657304742 1196129285 /nfs/dbraw/zinc/12/92/85/1196129285.db2.gz VOABUQVXXOCSPF-RBUKOAKNSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC001657326991 1196130290 /nfs/dbraw/zinc/13/02/90/1196130290.db2.gz IGXGEVLEYDXLQC-AWEZNQCLSA-N 2 1 312.442 3.392 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C1CC1 ZINC001657487136 1196147944 /nfs/dbraw/zinc/14/79/44/1196147944.db2.gz CPZIVBJRXBVYTN-UHFFFAOYSA-N 2 1 317.408 3.044 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C)C1 ZINC001657610411 1196159280 /nfs/dbraw/zinc/15/92/80/1196159280.db2.gz KCTQJCKDTAEROM-QGZVFWFLSA-N 2 1 303.494 3.210 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C2 ZINC001657680355 1196169195 /nfs/dbraw/zinc/16/91/95/1196169195.db2.gz CTSLPQSIDIZUIA-AEFFLSMTSA-N 2 1 316.489 3.264 20 0 DGADMP C[C@H]1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@H](C)C1 ZINC001657768415 1196176800 /nfs/dbraw/zinc/17/68/00/1196176800.db2.gz KPFHMZTULJYGRF-JXXFODFXSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1cccs1)[NH+]1CCCCC1 ZINC001657768207 1196176909 /nfs/dbraw/zinc/17/69/09/1196176909.db2.gz HPXFZXCRFOOSMW-CQSZACIVSA-N 2 1 318.490 3.492 20 0 DGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](C)CC[NH+](CC)CC)c1C ZINC001658185872 1196222580 /nfs/dbraw/zinc/22/25/80/1196222580.db2.gz IOWKVPSNAJWWTR-ZDUSSCGKSA-N 2 1 323.481 3.018 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@H](C)O3)[C@H](C)C1 ZINC001658255808 1196231013 /nfs/dbraw/zinc/23/10/13/1196231013.db2.gz RRPYQHUZQFWEIZ-VKJFTORMSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)[C@H](C)C1 ZINC001658255808 1196231014 /nfs/dbraw/zinc/23/10/14/1196231014.db2.gz RRPYQHUZQFWEIZ-VKJFTORMSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)[C@H](C)C1 ZINC001658255808 1196231019 /nfs/dbraw/zinc/23/10/19/1196231019.db2.gz RRPYQHUZQFWEIZ-VKJFTORMSA-N 2 1 302.462 3.172 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001658412935 1196252650 /nfs/dbraw/zinc/25/26/50/1196252650.db2.gz LTVFIFGBZYMXSL-QGZVFWFLSA-N 2 1 324.509 3.162 20 0 DGADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)c1 ZINC001658806651 1196303741 /nfs/dbraw/zinc/30/37/41/1196303741.db2.gz QTQGUJGXKGPQQS-INIZCTEOSA-N 2 1 311.429 3.109 20 0 DGADMP FC(F)n1cccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001659055150 1196338558 /nfs/dbraw/zinc/33/85/58/1196338558.db2.gz SIBNFQKPPBUXRP-INIZCTEOSA-N 2 1 319.399 3.495 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001659089975 1196342606 /nfs/dbraw/zinc/34/26/06/1196342606.db2.gz ZTWAOMALASSFHC-XYJFISCASA-N 2 1 301.478 3.199 20 0 DGADMP C[C@]1(C[NH2+]C[C@@]2(C)CCCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001659634200 1196400659 /nfs/dbraw/zinc/40/06/59/1196400659.db2.gz WWLWZBZWBPHDTB-WOJBJXKFSA-N 2 1 316.489 3.447 20 0 DGADMP Cc1c(F)nccc1CN[C@H](Cn1ccnc1)c1ccccc1 ZINC001659901914 1196426830 /nfs/dbraw/zinc/42/68/30/1196426830.db2.gz HHFHWTKRDFZEAW-QGZVFWFLSA-N 2 1 310.376 3.257 20 0 DGADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2(C)C)cc1 ZINC001659950951 1196431569 /nfs/dbraw/zinc/43/15/69/1196431569.db2.gz SOXNXAZIGPIBEL-OALUTQOASA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950951 1196431570 /nfs/dbraw/zinc/43/15/70/1196431570.db2.gz SOXNXAZIGPIBEL-OALUTQOASA-N 2 1 318.505 3.264 20 0 DGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2(C)C)cc1 ZINC001659950951 1196431573 /nfs/dbraw/zinc/43/15/73/1196431573.db2.gz SOXNXAZIGPIBEL-OALUTQOASA-N 2 1 318.505 3.264 20 0 DGADMP COCc1c(C)cc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1C ZINC001660102314 1196446430 /nfs/dbraw/zinc/44/64/30/1196446430.db2.gz PVYUBQMQEMCSIG-XLIONFOSSA-N 2 1 316.489 3.142 20 0 DGADMP COCc1c(C)cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1C ZINC001660102314 1196446432 /nfs/dbraw/zinc/44/64/32/1196446432.db2.gz PVYUBQMQEMCSIG-XLIONFOSSA-N 2 1 316.489 3.142 20 0 DGADMP COCc1c(C)cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1C ZINC001660102314 1196446435 /nfs/dbraw/zinc/44/64/35/1196446435.db2.gz PVYUBQMQEMCSIG-XLIONFOSSA-N 2 1 316.489 3.142 20 0 DGADMP Fc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443435 1196480672 /nfs/dbraw/zinc/48/06/72/1196480672.db2.gz BFCWURLAWGOAOB-SFHVURJKSA-N 2 1 312.432 3.480 20 0 DGADMP Fc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000076443435 1196480673 /nfs/dbraw/zinc/48/06/73/1196480673.db2.gz BFCWURLAWGOAOB-SFHVURJKSA-N 2 1 312.432 3.480 20 0 DGADMP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001660592072 1196500985 /nfs/dbraw/zinc/50/09/85/1196500985.db2.gz PQVZPBHOLMINPU-IYWMVGAKSA-N 2 1 321.553 3.159 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)CC2 ZINC001660767674 1196521740 /nfs/dbraw/zinc/52/17/40/1196521740.db2.gz JXWHMEQKQQOEKT-GOSISDBHSA-N 2 1 316.489 3.407 20 0 DGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001661208546 1196581975 /nfs/dbraw/zinc/58/19/75/1196581975.db2.gz FHICXRWJHXMVNN-LLVKDONJSA-N 2 1 322.346 3.197 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001661463788 1196608358 /nfs/dbraw/zinc/60/83/58/1196608358.db2.gz MAMPXKNMOBESTM-GPMSIDNRSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)n1c2ccccc2nc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001662623116 1196734662 /nfs/dbraw/zinc/73/46/62/1196734662.db2.gz BSDXNLMIGQMZFJ-INIZCTEOSA-N 2 1 314.477 3.439 20 0 DGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC001662804066 1196754296 /nfs/dbraw/zinc/75/42/96/1196754296.db2.gz OHMHNOZRELEILO-UHFFFAOYSA-N 2 1 304.478 3.468 20 0 DGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC001662804066 1196754301 /nfs/dbraw/zinc/75/43/01/1196754301.db2.gz OHMHNOZRELEILO-UHFFFAOYSA-N 2 1 304.478 3.468 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)CC1 ZINC001664398093 1196994398 /nfs/dbraw/zinc/99/43/98/1196994398.db2.gz DVSVGQUBAKHUOS-UHFFFAOYSA-N 2 1 318.461 3.097 20 0 DGADMP CCCC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001664543374 1197012679 /nfs/dbraw/zinc/01/26/79/1197012679.db2.gz LDYIQIAYTJROPX-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001664543374 1197012683 /nfs/dbraw/zinc/01/26/83/1197012683.db2.gz LDYIQIAYTJROPX-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001664543374 1197012686 /nfs/dbraw/zinc/01/26/86/1197012686.db2.gz LDYIQIAYTJROPX-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC001664611542 1197021230 /nfs/dbraw/zinc/02/12/30/1197021230.db2.gz KHRQXFPHXHGPGH-YJBOKZPZSA-N 2 1 314.473 3.174 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000080199290 1197042183 /nfs/dbraw/zinc/04/21/83/1197042183.db2.gz PYZOBFSCMKRWGK-UHFFFAOYSA-N 3 1 317.521 3.076 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000080199290 1197042188 /nfs/dbraw/zinc/04/21/88/1197042188.db2.gz PYZOBFSCMKRWGK-UHFFFAOYSA-N 2 1 317.521 3.076 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001665932044 1197218043 /nfs/dbraw/zinc/21/80/43/1197218043.db2.gz VWJBLDMLHISLNV-UHFFFAOYSA-N 2 1 307.457 3.244 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001665932044 1197218047 /nfs/dbraw/zinc/21/80/47/1197218047.db2.gz VWJBLDMLHISLNV-UHFFFAOYSA-N 2 1 307.457 3.244 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC001665937156 1197218095 /nfs/dbraw/zinc/21/80/95/1197218095.db2.gz NFWLTLRIZASWNY-VBNZEHGJSA-N 2 1 313.272 3.466 20 0 DGADMP CCCCCC[N@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671648239 1197557221 /nfs/dbraw/zinc/55/72/21/1197557221.db2.gz DLXLGPVEWMGYTJ-HKUYNNGSSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001671648239 1197557223 /nfs/dbraw/zinc/55/72/23/1197557223.db2.gz DLXLGPVEWMGYTJ-HKUYNNGSSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001671648239 1197557227 /nfs/dbraw/zinc/55/72/27/1197557227.db2.gz DLXLGPVEWMGYTJ-HKUYNNGSSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001671693255 1197562872 /nfs/dbraw/zinc/56/28/72/1197562872.db2.gz ILOOZOLENBIYOU-IBGZPJMESA-N 2 1 323.525 3.023 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000323296805 1197690101 /nfs/dbraw/zinc/69/01/01/1197690101.db2.gz NDOATGHASWYKDJ-FUHWJXTLSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2ccnc2)cc1 ZINC000378926285 1197702615 /nfs/dbraw/zinc/70/26/15/1197702615.db2.gz TXGOBFAPGISDTB-WDYCEAGBSA-N 2 1 310.445 3.150 20 0 DGADMP Cc1ccc(-c2cc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)on2)cc1 ZINC000391842251 1197715721 /nfs/dbraw/zinc/71/57/21/1197715721.db2.gz YNDOJYLDURAJJD-VQIMIIECSA-N 2 1 311.429 3.211 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000088702684 1197769511 /nfs/dbraw/zinc/76/95/11/1197769511.db2.gz QSWPXLCUYVRDFS-JENIJYKNSA-N 2 1 303.494 3.142 20 0 DGADMP CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001674981589 1197947381 /nfs/dbraw/zinc/94/73/81/1197947381.db2.gz XOYOUCKCJULZBY-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001674981589 1197947385 /nfs/dbraw/zinc/94/73/85/1197947385.db2.gz XOYOUCKCJULZBY-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001674981589 1197947390 /nfs/dbraw/zinc/94/73/90/1197947390.db2.gz XOYOUCKCJULZBY-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(F)c1F ZINC000107712306 1199586762 /nfs/dbraw/zinc/58/67/62/1199586762.db2.gz PTQRUCPAPOILOE-UHFFFAOYSA-N 2 1 320.383 3.195 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NCC3CC[NH2+]CC3)cc2)C1 ZINC000107790342 1199589843 /nfs/dbraw/zinc/58/98/43/1199589843.db2.gz GJZQPQYUXNJWQW-INIZCTEOSA-N 2 1 301.478 3.330 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000108428757 1199604215 /nfs/dbraw/zinc/60/42/15/1199604215.db2.gz FNQXFNZLBYXZGA-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP Clc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)s1 ZINC000312548315 1199753295 /nfs/dbraw/zinc/75/32/95/1199753295.db2.gz VBFYVIQWZQTGCT-AOOOYVTPSA-N 2 1 305.274 3.486 20 0 DGADMP Clc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)s1 ZINC000312548315 1199753301 /nfs/dbraw/zinc/75/33/01/1199753301.db2.gz VBFYVIQWZQTGCT-AOOOYVTPSA-N 2 1 305.274 3.486 20 0 DGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)C(C)(C)C ZINC000116378411 1199797621 /nfs/dbraw/zinc/79/76/21/1199797621.db2.gz ICJSXVRGVJNZDW-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000120779129 1200170227 /nfs/dbraw/zinc/17/02/27/1200170227.db2.gz FEOPAPJLSBYJOD-HNNXBMFYSA-N 2 1 306.498 3.165 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000120779129 1200170231 /nfs/dbraw/zinc/17/02/31/1200170231.db2.gz FEOPAPJLSBYJOD-HNNXBMFYSA-N 2 1 306.498 3.165 20 0 DGADMP CCN(CC[NH2+]CC=C(C)C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001699189418 1201748095 /nfs/dbraw/zinc/74/80/95/1201748095.db2.gz DJVNOHOJDTXIIH-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP CCCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001700324435 1202236851 /nfs/dbraw/zinc/23/68/51/1202236851.db2.gz UTYDDNIVWCZQSM-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001700531536 1202306910 /nfs/dbraw/zinc/30/69/10/1202306910.db2.gz NYZVHPIIIJOLAO-SFHVURJKSA-N 2 1 323.525 3.023 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H]3C)CC2)oc1C ZINC000152111019 1202593737 /nfs/dbraw/zinc/59/37/37/1202593737.db2.gz RRSSDLOBAXWYQX-DYVFJYSZSA-N 2 1 305.466 3.282 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H]3C)CC2)oc1C ZINC000152110852 1202593742 /nfs/dbraw/zinc/59/37/42/1202593742.db2.gz RRSSDLOBAXWYQX-GUYCJALGSA-N 2 1 305.466 3.282 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000157536971 1202602642 /nfs/dbraw/zinc/60/26/42/1202602642.db2.gz OZLZQWVVBWTBJY-IEBWSBKVSA-N 2 1 311.429 3.158 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328590 1202603389 /nfs/dbraw/zinc/60/33/89/1202603389.db2.gz ZPHIZDBVEKUHLW-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328590 1202603390 /nfs/dbraw/zinc/60/33/90/1202603390.db2.gz ZPHIZDBVEKUHLW-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000236600882 1202614541 /nfs/dbraw/zinc/61/45/41/1202614541.db2.gz ZEIGZZPJJOZGDW-UHFFFAOYSA-N 2 1 312.461 3.348 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000236639908 1202615613 /nfs/dbraw/zinc/61/56/13/1202615613.db2.gz ZWCIGZPBHLIRKO-DFQSSKMNSA-N 2 1 317.521 3.388 20 0 DGADMP CC(C)C[C@H](CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000236639908 1202615614 /nfs/dbraw/zinc/61/56/14/1202615614.db2.gz ZWCIGZPBHLIRKO-DFQSSKMNSA-N 2 1 317.521 3.388 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000236863101 1202630339 /nfs/dbraw/zinc/63/03/39/1202630339.db2.gz FTNWPNFQIXLABF-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(C)C)C1 ZINC000236863101 1202630340 /nfs/dbraw/zinc/63/03/40/1202630340.db2.gz FTNWPNFQIXLABF-INIZCTEOSA-N 2 1 320.477 3.304 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001713794128 1202691695 /nfs/dbraw/zinc/69/16/95/1202691695.db2.gz BIGKAAUFMBOWMX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001713794128 1202691696 /nfs/dbraw/zinc/69/16/96/1202691696.db2.gz BIGKAAUFMBOWMX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001713794128 1202691697 /nfs/dbraw/zinc/69/16/97/1202691697.db2.gz BIGKAAUFMBOWMX-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245743320 1203691476 /nfs/dbraw/zinc/69/14/76/1203691476.db2.gz WEXNEOLGUFZQOV-AZUAARDMSA-N 2 1 317.521 3.313 20 0 DGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001725619845 1204182269 /nfs/dbraw/zinc/18/22/69/1204182269.db2.gz GAKCQVZABDFKHL-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001725619845 1204182270 /nfs/dbraw/zinc/18/22/70/1204182270.db2.gz GAKCQVZABDFKHL-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001725619845 1204182273 /nfs/dbraw/zinc/18/22/73/1204182273.db2.gz GAKCQVZABDFKHL-PKOBYXMFSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001731260889 1204354480 /nfs/dbraw/zinc/35/44/80/1204354480.db2.gz KXNCRSITPOFFJG-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731260889 1204354485 /nfs/dbraw/zinc/35/44/85/1204354485.db2.gz KXNCRSITPOFFJG-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001731260889 1204354490 /nfs/dbraw/zinc/35/44/90/1204354490.db2.gz KXNCRSITPOFFJG-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001732310290 1204786236 /nfs/dbraw/zinc/78/62/36/1204786236.db2.gz BFFZWNTXKZWAEQ-QAQDUYKDSA-N 2 1 323.525 3.066 20 0 DGADMP CCCCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001733217157 1205049257 /nfs/dbraw/zinc/04/92/57/1205049257.db2.gz RBTWYMLOVSIRMC-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733217157 1205049260 /nfs/dbraw/zinc/04/92/60/1205049260.db2.gz RBTWYMLOVSIRMC-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001733217157 1205049262 /nfs/dbraw/zinc/04/92/62/1205049262.db2.gz RBTWYMLOVSIRMC-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(Br)sc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226479 1099483144 /nfs/dbraw/zinc/48/31/44/1099483144.db2.gz MGQHMMRWORXFFM-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP Cc1cc(Br)sc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226479 1099483149 /nfs/dbraw/zinc/48/31/49/1099483149.db2.gz MGQHMMRWORXFFM-UHFFFAOYSA-N 2 1 317.296 3.393 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(COc3ccccc3)CC2)C1 ZINC001208606315 1081636922 /nfs/dbraw/zinc/63/69/22/1081636922.db2.gz FBVAOPQTVIMQOG-GOSISDBHSA-N 2 1 302.462 3.119 20 0 DGADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169922660 1081682039 /nfs/dbraw/zinc/68/20/39/1081682039.db2.gz DHQIAYYLRLXQDC-ULQDDVLXSA-N 2 1 324.509 3.290 20 0 DGADMP CC(=O)OC(C)(C)CCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209154912 1081692162 /nfs/dbraw/zinc/69/21/62/1081692162.db2.gz AABITTFYRVVPKK-ROUUACIJSA-N 2 1 324.509 3.447 20 0 DGADMP CC(=O)OC(C)(C)CCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209154912 1081692164 /nfs/dbraw/zinc/69/21/64/1081692164.db2.gz AABITTFYRVVPKK-ROUUACIJSA-N 2 1 324.509 3.447 20 0 DGADMP Cc1c[nH+]c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(C)c1 ZINC001167160457 1081777688 /nfs/dbraw/zinc/77/76/88/1081777688.db2.gz QBWWOGWMBPHWBA-UHFFFAOYSA-N 2 1 307.441 3.340 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398015464 1082054260 /nfs/dbraw/zinc/05/42/60/1082054260.db2.gz GEBQWZMIYAXPTI-RWQQGDIJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398015464 1082054264 /nfs/dbraw/zinc/05/42/64/1082054264.db2.gz GEBQWZMIYAXPTI-RWQQGDIJSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000398029000 1082059352 /nfs/dbraw/zinc/05/93/52/1082059352.db2.gz MSVATTLHLGOJMP-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000398029000 1082059360 /nfs/dbraw/zinc/05/93/60/1082059360.db2.gz MSVATTLHLGOJMP-BHIYHBOVSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@@H](n2cncc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231224 1082114284 /nfs/dbraw/zinc/11/42/84/1082114284.db2.gz WUUXUMBADGEMLV-VQIMIIECSA-N 3 1 324.472 3.186 20 0 DGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001170137635 1082180549 /nfs/dbraw/zinc/18/05/49/1082180549.db2.gz PEDCDSZWJUWYHD-WMZOPIPTSA-N 2 1 316.493 3.039 20 0 DGADMP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC001648913594 1082288421 /nfs/dbraw/zinc/28/84/21/1082288421.db2.gz AKANFBQKTHKRIM-IAGOWNOFSA-N 2 1 310.526 3.418 20 0 DGADMP CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC001648913595 1082288524 /nfs/dbraw/zinc/28/85/24/1082288524.db2.gz AKANFBQKTHKRIM-IRXDYDNUSA-N 2 1 310.526 3.418 20 0 DGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001266917256 1082336983 /nfs/dbraw/zinc/33/69/83/1082336983.db2.gz WKNSNSBUCRDECZ-DAWZGUTISA-N 2 1 323.525 3.068 20 0 DGADMP [NH3+]Cc1ccnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170331408 1082347514 /nfs/dbraw/zinc/34/75/14/1082347514.db2.gz WEOJFAYTDPPIDL-LDLYASANSA-N 2 1 322.456 3.148 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[NH+](C(C)C)C(C)C ZINC001170412308 1082370315 /nfs/dbraw/zinc/37/03/15/1082370315.db2.gz PLNKZDAWMCWSCF-KRWDZBQOSA-N 2 1 320.477 3.445 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@H+](C)CC)CC1 ZINC001170455983 1082485212 /nfs/dbraw/zinc/48/52/12/1082485212.db2.gz LVMPHUCFKVZDIT-INIZCTEOSA-N 2 1 318.461 3.153 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001170455983 1082485216 /nfs/dbraw/zinc/48/52/16/1082485216.db2.gz LVMPHUCFKVZDIT-INIZCTEOSA-N 2 1 318.461 3.153 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170457075 1082487998 /nfs/dbraw/zinc/48/79/98/1082487998.db2.gz WXSZOPFPUQQZSC-KRWDZBQOSA-N 2 1 320.477 3.400 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000690736687 1082488600 /nfs/dbraw/zinc/48/86/00/1082488600.db2.gz CNPDPQJDSMNTFV-SNVBAGLBSA-N 2 1 317.658 3.273 20 0 DGADMP CC(C)[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267085564 1082491558 /nfs/dbraw/zinc/49/15/58/1082491558.db2.gz PODGXHGTWSDEBJ-IRXDYDNUSA-N 2 1 323.525 3.066 20 0 DGADMP CC[NH+]1CCC(CC2CC[NH+](CC(C)(C)CN(C)C)CC2)CC1 ZINC001207287375 1082525718 /nfs/dbraw/zinc/52/57/18/1082525718.db2.gz CSCKJKWIVHELLU-UHFFFAOYSA-N 2 1 323.569 3.408 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143451870 1082758756 /nfs/dbraw/zinc/75/87/56/1082758756.db2.gz VDDPBFHDYCPTGX-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143451870 1082758758 /nfs/dbraw/zinc/75/87/58/1082758758.db2.gz VDDPBFHDYCPTGX-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143451870 1082758762 /nfs/dbraw/zinc/75/87/62/1082758762.db2.gz VDDPBFHDYCPTGX-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143451870 1082758765 /nfs/dbraw/zinc/75/87/65/1082758765.db2.gz VDDPBFHDYCPTGX-CABCVRRESA-N 2 1 312.379 3.397 20 0 DGADMP CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001493309316 1082828249 /nfs/dbraw/zinc/82/82/49/1082828249.db2.gz LEUYSUDKBKSKOF-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000708548649 1082844150 /nfs/dbraw/zinc/84/41/50/1082844150.db2.gz BOUBYBJUKVGENQ-NEWSRXKRSA-N 2 1 300.446 3.037 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(N[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC001170620837 1082935356 /nfs/dbraw/zinc/93/53/56/1082935356.db2.gz WPVSQSRYTRIVLJ-ZWKOTPCHSA-N 2 1 314.477 3.181 20 0 DGADMP CC(C)=CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001267512462 1082972375 /nfs/dbraw/zinc/97/23/75/1082972375.db2.gz KVIQXHAORRFYHC-HDICACEKSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001267512462 1082972380 /nfs/dbraw/zinc/97/23/80/1082972380.db2.gz KVIQXHAORRFYHC-HDICACEKSA-N 2 1 323.525 3.042 20 0 DGADMP CC(C)=CC[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001267512462 1082972383 /nfs/dbraw/zinc/97/23/83/1082972383.db2.gz KVIQXHAORRFYHC-HDICACEKSA-N 2 1 323.525 3.042 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1C(F)(F)F ZINC001143484798 1083206340 /nfs/dbraw/zinc/20/63/40/1083206340.db2.gz RROLOINIYLXOQZ-UHFFFAOYSA-N 2 1 318.383 3.488 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1C(F)(F)F ZINC001143484798 1083206341 /nfs/dbraw/zinc/20/63/41/1083206341.db2.gz RROLOINIYLXOQZ-UHFFFAOYSA-N 2 1 318.383 3.488 20 0 DGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267631570 1083234259 /nfs/dbraw/zinc/23/42/59/1083234259.db2.gz JMPRNWVLRMOKTD-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170753366 1083298531 /nfs/dbraw/zinc/29/85/31/1083298531.db2.gz OURHQRRCPAGJQJ-WCXIOVBPSA-N 2 1 320.521 3.433 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1CCC[C@@H](C)C1 ZINC001181489425 1083476605 /nfs/dbraw/zinc/47/66/05/1083476605.db2.gz YOPBURNKJMAOKD-GUDVDZBRSA-N 2 1 309.542 3.161 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001181555215 1083490759 /nfs/dbraw/zinc/49/07/59/1083490759.db2.gz JSHUESHUGNRSIK-UHFFFAOYSA-N 2 1 321.465 3.417 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001181555215 1083490766 /nfs/dbraw/zinc/49/07/66/1083490766.db2.gz JSHUESHUGNRSIK-UHFFFAOYSA-N 2 1 321.465 3.417 20 0 DGADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001267924162 1083574888 /nfs/dbraw/zinc/57/48/88/1083574888.db2.gz FIUKOSZZZQPFRZ-KZNAEPCWSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034648 1083608976 /nfs/dbraw/zinc/60/89/76/1083608976.db2.gz VDRDHHOGBGNXMJ-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034648 1083608979 /nfs/dbraw/zinc/60/89/79/1083608979.db2.gz VDRDHHOGBGNXMJ-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034648 1083608983 /nfs/dbraw/zinc/60/89/83/1083608983.db2.gz VDRDHHOGBGNXMJ-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001182034648 1083608989 /nfs/dbraw/zinc/60/89/89/1083608989.db2.gz VDRDHHOGBGNXMJ-SFHVURJKSA-N 2 1 324.415 3.248 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001206549613 1083845139 /nfs/dbraw/zinc/84/51/39/1083845139.db2.gz PFZJOPAQCWFACX-SFHVURJKSA-N 2 1 305.466 3.221 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205255473 1083878760 /nfs/dbraw/zinc/87/87/60/1083878760.db2.gz JGLSDFUKPXUINA-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273991 1083965617 /nfs/dbraw/zinc/96/56/17/1083965617.db2.gz RFJHRNLBXMGIFU-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCC(=O)OC)Cc1ccco1 ZINC001167824328 1084112688 /nfs/dbraw/zinc/11/26/88/1084112688.db2.gz DKYVQTVUPAGJMY-MRXNPFEDSA-N 2 1 324.465 3.155 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCC(=O)OC)C1CCCC1 ZINC001167825852 1084117633 /nfs/dbraw/zinc/11/76/33/1084117633.db2.gz LCGOMQJQZKFTDF-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001167833361 1084141547 /nfs/dbraw/zinc/14/15/47/1084141547.db2.gz AILSLWPFKWYKDV-OAHLLOKOSA-N 2 1 308.441 3.399 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001167833434 1084142753 /nfs/dbraw/zinc/14/27/53/1084142753.db2.gz BIKFFVPWYUARDV-QZTJIDSGSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(Oc2ccccc2F)C1 ZINC001167837431 1084161153 /nfs/dbraw/zinc/16/11/53/1084161153.db2.gz JXJLBOJELNUZOY-HNNXBMFYSA-N 2 1 308.441 3.399 20 0 DGADMP CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]1C ZINC001167837224 1084162213 /nfs/dbraw/zinc/16/22/13/1084162213.db2.gz JRIDZCYMLXKUOI-ZACQAIPSSA-N 2 1 312.498 3.161 20 0 DGADMP CCc1noc([C@H]2CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167837766 1084163634 /nfs/dbraw/zinc/16/36/34/1084163634.db2.gz MGYMAOAJYLMNGA-CVEARBPZSA-N 2 1 322.497 3.322 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(c4ccc(O)cc4)CC3)[C@H]2C1 ZINC001184387073 1084168410 /nfs/dbraw/zinc/16/84/10/1084168410.db2.gz HCINNMIMPQASPR-ALEUNZRHSA-N 2 1 314.473 3.348 20 0 DGADMP CCCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000073381107 1084212189 /nfs/dbraw/zinc/21/21/89/1084212189.db2.gz KZCJIUOKASYIJK-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268156293 1084248849 /nfs/dbraw/zinc/24/88/49/1084248849.db2.gz JFZDVLPSYGOSMG-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)n2c1 ZINC001167960726 1085682949 /nfs/dbraw/zinc/68/29/49/1085682949.db2.gz ANDMYUHFEKXLQY-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP Cc1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)n2c1 ZINC001167960726 1085682955 /nfs/dbraw/zinc/68/29/55/1085682955.db2.gz ANDMYUHFEKXLQY-AYHJJNSGSA-N 2 1 324.472 3.138 20 0 DGADMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cc(F)cc(F)c1 ZINC001167963996 1085821872 /nfs/dbraw/zinc/82/18/72/1085821872.db2.gz JCGOYJLPUMULIJ-ALOPSCKCSA-N 2 1 319.399 3.285 20 0 DGADMP Cc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964376 1085827912 /nfs/dbraw/zinc/82/79/12/1085827912.db2.gz QAZHNPVWBSNGCU-YQQQUEKLSA-N 2 1 314.473 3.369 20 0 DGADMP Cc1nc(C)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167967939 1085893142 /nfs/dbraw/zinc/89/31/42/1085893142.db2.gz LWYRFZTYFUTJDP-MQVJKMGUSA-N 2 1 305.491 3.255 20 0 DGADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167967939 1085893149 /nfs/dbraw/zinc/89/31/49/1085893149.db2.gz LWYRFZTYFUTJDP-MQVJKMGUSA-N 2 1 305.491 3.255 20 0 DGADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167967939 1085893158 /nfs/dbraw/zinc/89/31/58/1085893158.db2.gz LWYRFZTYFUTJDP-MQVJKMGUSA-N 2 1 305.491 3.255 20 0 DGADMP [NH3+]CCc1nn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167968601 1085897221 /nfs/dbraw/zinc/89/72/21/1085897221.db2.gz STUAWBSVOUECOJ-SJPCQFCGSA-N 2 1 324.472 3.115 20 0 DGADMP c1cc2c(cn1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167977815 1085928155 /nfs/dbraw/zinc/92/81/55/1085928155.db2.gz FPVXSVVTQWAJCT-AQDPXUSMSA-N 2 1 311.473 3.454 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001167981718 1085932615 /nfs/dbraw/zinc/93/26/15/1085932615.db2.gz GMMWSQMUPHRJSL-QFMLELGNSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981718 1085932619 /nfs/dbraw/zinc/93/26/19/1085932619.db2.gz GMMWSQMUPHRJSL-QFMLELGNSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981718 1085932625 /nfs/dbraw/zinc/93/26/25/1085932625.db2.gz GMMWSQMUPHRJSL-QFMLELGNSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001167981718 1085932632 /nfs/dbraw/zinc/93/26/32/1085932632.db2.gz GMMWSQMUPHRJSL-QFMLELGNSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001167981718 1085932645 /nfs/dbraw/zinc/93/26/45/1085932645.db2.gz GMMWSQMUPHRJSL-QFMLELGNSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981718 1085932653 /nfs/dbraw/zinc/93/26/53/1085932653.db2.gz GMMWSQMUPHRJSL-QFMLELGNSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981718 1085932659 /nfs/dbraw/zinc/93/26/59/1085932659.db2.gz GMMWSQMUPHRJSL-QFMLELGNSA-N 3 1 319.537 3.100 20 0 DGADMP Nc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167981949 1085933191 /nfs/dbraw/zinc/93/31/91/1085933191.db2.gz QNGNCLYRSCXROH-YQQQUEKLSA-N 2 1 311.473 3.253 20 0 DGADMP CCN(CC[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994687 1086061402 /nfs/dbraw/zinc/06/14/02/1086061402.db2.gz KMIVHCFMURIMIP-YOFSQIOKSA-N 2 1 319.537 3.200 20 0 DGADMP C[C@@H]1CC(NC[C@H]2CCC[N@H+]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011386 1086214819 /nfs/dbraw/zinc/21/48/19/1086214819.db2.gz OSMOGMPUWJQLRQ-MBOZVWFJSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1CC([NH2+]C[C@H]2CCCN2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011386 1086214832 /nfs/dbraw/zinc/21/48/32/1086214832.db2.gz OSMOGMPUWJQLRQ-MBOZVWFJSA-N 2 1 315.505 3.112 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)[C@@H]1CC ZINC001087792195 1086411237 /nfs/dbraw/zinc/41/12/37/1086411237.db2.gz RRZCMRNQXLLZGA-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)[C@@H]1CC ZINC001087792195 1086411241 /nfs/dbraw/zinc/41/12/41/1086411241.db2.gz RRZCMRNQXLLZGA-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC)[C@@H]1CC ZINC001087792195 1086411245 /nfs/dbraw/zinc/41/12/45/1086411245.db2.gz RRZCMRNQXLLZGA-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP COC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC001168033400 1086471852 /nfs/dbraw/zinc/47/18/52/1086471852.db2.gz LEIVCJTVFQXSRO-JSJNYSNDSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1CC([N@H+]2CCCC[C@H](O)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039019 1086496315 /nfs/dbraw/zinc/49/63/15/1086496315.db2.gz AYCQSCRRAVNUJB-HLIPFELVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@@H+]2CCCC[C@H](O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039019 1086496320 /nfs/dbraw/zinc/49/63/20/1086496320.db2.gz AYCQSCRRAVNUJB-HLIPFELVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1CC([N@H+]2CCCC[C@H](O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039019 1086496324 /nfs/dbraw/zinc/49/63/24/1086496324.db2.gz AYCQSCRRAVNUJB-HLIPFELVSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCOC[C@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041087 1086505790 /nfs/dbraw/zinc/50/57/90/1086505790.db2.gz QSIYMSIHGSLEIW-FTEYMNFISA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCOC[C@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041087 1086505794 /nfs/dbraw/zinc/50/57/94/1086505794.db2.gz QSIYMSIHGSLEIW-FTEYMNFISA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041087 1086505800 /nfs/dbraw/zinc/50/58/00/1086505800.db2.gz QSIYMSIHGSLEIW-FTEYMNFISA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041087 1086505806 /nfs/dbraw/zinc/50/58/06/1086505806.db2.gz QSIYMSIHGSLEIW-FTEYMNFISA-N 2 1 316.489 3.396 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@](C)(CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041339 1086507980 /nfs/dbraw/zinc/50/79/80/1086507980.db2.gz RYPRZUFUKRJCCD-HLIPFELVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@](C)(CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041339 1086507983 /nfs/dbraw/zinc/50/79/83/1086507983.db2.gz RYPRZUFUKRJCCD-HLIPFELVSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccncn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041780 1086511043 /nfs/dbraw/zinc/51/10/43/1086511043.db2.gz VIGNOYZXMHDUCJ-XEMDLRDOSA-N 2 1 324.472 3.050 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168055382 1086621039 /nfs/dbraw/zinc/62/10/39/1086621039.db2.gz VNJAGHONTJYHEY-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055382 1086621041 /nfs/dbraw/zinc/62/10/41/1086621041.db2.gz VNJAGHONTJYHEY-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCOC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055382 1086621043 /nfs/dbraw/zinc/62/10/43/1086621043.db2.gz VNJAGHONTJYHEY-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCOC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055382 1086621046 /nfs/dbraw/zinc/62/10/46/1086621046.db2.gz VNJAGHONTJYHEY-NBMJBFSESA-N 2 1 302.462 3.149 20 0 DGADMP C[C@@H]1CC([N@@H+]2CC[C@@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056878 1086627274 /nfs/dbraw/zinc/62/72/74/1086627274.db2.gz JLHFVDLSFUZTNU-HLIPFELVSA-N 2 1 314.473 3.293 20 0 DGADMP C[C@@H]1CC([N@H+]2CC[C@@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056878 1086627277 /nfs/dbraw/zinc/62/72/77/1086627277.db2.gz JLHFVDLSFUZTNU-HLIPFELVSA-N 2 1 314.473 3.293 20 0 DGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326887 1086795856 /nfs/dbraw/zinc/79/58/56/1086795856.db2.gz AJBKZFJNJAEKLH-MSOLQXFVSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093555 1086852901 /nfs/dbraw/zinc/85/29/01/1086852901.db2.gz NIUKPJOLBGRSCM-VDHUWJSZSA-N 2 1 320.452 3.465 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001168128551 1086956817 /nfs/dbraw/zinc/95/68/17/1086956817.db2.gz RKBPYCIPTHLODA-QFBILLFUSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137771 1086970556 /nfs/dbraw/zinc/97/05/56/1086970556.db2.gz OJHLVINWXBPKID-OXJNMPFZSA-N 2 1 314.473 3.077 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001168137771 1086970557 /nfs/dbraw/zinc/97/05/57/1086970557.db2.gz OJHLVINWXBPKID-OXJNMPFZSA-N 2 1 314.473 3.077 20 0 DGADMP CC[N@@H+]1CC=C(c2cnc(NC3(C)CC[NH2+]CC3)c(C)c2)CC1 ZINC001168184111 1087029543 /nfs/dbraw/zinc/02/95/43/1087029543.db2.gz STHOPKVQEUFZNQ-UHFFFAOYSA-N 2 1 314.477 3.053 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CCC[NH3+])C1CCCCC1)C2 ZINC001168231864 1087065385 /nfs/dbraw/zinc/06/53/85/1087065385.db2.gz RIIGWRPXVVFPDX-SFHVURJKSA-N 2 1 302.462 3.146 20 0 DGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(OC)cc3C2)C1 ZINC001168252190 1087073782 /nfs/dbraw/zinc/07/37/82/1087073782.db2.gz NXCDZESEDKNJCI-DLBZAZTESA-N 2 1 302.462 3.015 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(OC)cc3C2)C1 ZINC001168252190 1087073788 /nfs/dbraw/zinc/07/37/88/1087073788.db2.gz NXCDZESEDKNJCI-DLBZAZTESA-N 2 1 302.462 3.015 20 0 DGADMP COc1ccc2c(c1)C[C@H]([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252235 1087074036 /nfs/dbraw/zinc/07/40/36/1087074036.db2.gz ORDIJTWUZDIFHG-GUDVDZBRSA-N 2 1 314.473 3.144 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001168260266 1087078041 /nfs/dbraw/zinc/07/80/41/1087078041.db2.gz MOUBGXGLRHCSSA-LJQANCHMSA-N 2 1 314.473 3.113 20 0 DGADMP COc1ccc(CC[N@@H+](C)C2CCC([NH+](C)C)CC2)cc1OC ZINC001168315741 1087291359 /nfs/dbraw/zinc/29/13/59/1087291359.db2.gz MWXOUEBQTPBLEA-UHFFFAOYSA-N 2 1 320.477 3.051 20 0 DGADMP CCCc1noc([C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168328199 1087295273 /nfs/dbraw/zinc/29/52/73/1087295273.db2.gz ZIBFKOBLUSNTBC-FHERZECASA-N 2 1 320.481 3.074 20 0 DGADMP CC(=O)c1ccc2c(c1)C[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168328149 1087295282 /nfs/dbraw/zinc/29/52/82/1087295282.db2.gz XICCHLMMSDPFGY-UHFFFAOYSA-N 2 1 300.446 3.120 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC([NH+](C)C)CC1 ZINC001168328805 1087295404 /nfs/dbraw/zinc/29/54/04/1087295404.db2.gz CVIGDNPVTOFDCI-UHFFFAOYSA-N 2 1 304.434 3.110 20 0 DGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001168329389 1087296010 /nfs/dbraw/zinc/29/60/10/1087296010.db2.gz RRBOLFPIIFLGFK-UYSNPLJNSA-N 2 1 310.482 3.055 20 0 DGADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353095 1087306189 /nfs/dbraw/zinc/30/61/89/1087306189.db2.gz KKHKIBBRSKPFAA-UHFFFAOYSA-N 2 1 302.462 3.438 20 0 DGADMP CCCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483258809 1087451742 /nfs/dbraw/zinc/45/17/42/1087451742.db2.gz VWKVWXBFGRCSIM-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2F)no1 ZINC001212144842 1087539880 /nfs/dbraw/zinc/53/98/80/1087539880.db2.gz FVWRCEOUKIIKNY-AWEZNQCLSA-N 2 1 324.375 3.183 20 0 DGADMP COc1ccc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168380879 1087542474 /nfs/dbraw/zinc/54/24/74/1087542474.db2.gz UYFSKKNNTCPYDW-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168380879 1087542479 /nfs/dbraw/zinc/54/24/79/1087542479.db2.gz UYFSKKNNTCPYDW-UHFFFAOYSA-N 2 1 318.461 3.010 20 0 DGADMP Fc1ccc([C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168388014 1087547886 /nfs/dbraw/zinc/54/78/86/1087547886.db2.gz ZSLAFGZTRUMAOS-KRWDZBQOSA-N 2 1 302.437 3.489 20 0 DGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001168464468 1087876515 /nfs/dbraw/zinc/87/65/15/1087876515.db2.gz GSNOBCCRXGLQIH-OAHLLOKOSA-N 3 1 323.500 3.232 20 0 DGADMP c1cc2cc[nH+]cc2c(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)c1 ZINC001159333419 1088302440 /nfs/dbraw/zinc/30/24/40/1088302440.db2.gz BVRKLPLIXKRBBT-OAHLLOKOSA-N 2 1 306.369 3.114 20 0 DGADMP c1cc2cc(Nc3ccc(CN4CC[NH2+]CC4)cc3)ccc2c[nH+]1 ZINC001159447557 1088353576 /nfs/dbraw/zinc/35/35/76/1088353576.db2.gz NVKDVIYAIQKPHZ-UHFFFAOYSA-N 2 1 318.424 3.384 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Br)c3ccccc23)C1 ZINC001235749549 1088394051 /nfs/dbraw/zinc/39/40/51/1088394051.db2.gz IBKUJEPEJSLOOC-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Br)c3ccccc23)C1 ZINC001235749549 1088394065 /nfs/dbraw/zinc/39/40/65/1088394065.db2.gz IBKUJEPEJSLOOC-GFCCVEGCSA-N 2 1 319.246 3.383 20 0 DGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880098 1088395691 /nfs/dbraw/zinc/39/56/91/1088395691.db2.gz YGFFBXUCNMRMCG-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880098 1088395704 /nfs/dbraw/zinc/39/57/04/1088395704.db2.gz YGFFBXUCNMRMCG-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880098 1088395718 /nfs/dbraw/zinc/39/57/18/1088395718.db2.gz YGFFBXUCNMRMCG-HNGSOEQISA-N 2 1 323.525 3.044 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001159812976 1088500863 /nfs/dbraw/zinc/50/08/63/1088500863.db2.gz LJBQJBPXNTUXNC-UHFFFAOYSA-N 2 1 304.397 3.388 20 0 DGADMP c1ccc2c(Nc3ccc(O[C@@H]4CC[NH2+]C4)cc3)cc[nH+]c2c1 ZINC001159919508 1088549884 /nfs/dbraw/zinc/54/98/84/1088549884.db2.gz LKOYWOJDNQJUJU-MRXNPFEDSA-N 2 1 305.381 3.141 20 0 DGADMP CN(C)c1cccc(Nc2ccc(C[NH3+])cc2C(F)(F)F)[nH+]1 ZINC001160417897 1088793495 /nfs/dbraw/zinc/79/34/95/1088793495.db2.gz OENURXOYSLASAP-UHFFFAOYSA-N 2 1 310.323 3.369 20 0 DGADMP FC(F)(F)[C@H]1C[NH2+]CC[C@@H]1Nc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001160743888 1088939933 /nfs/dbraw/zinc/93/99/33/1088939933.db2.gz OYHNCUYFUYRTPL-AAEUAGOBSA-N 2 1 324.350 3.004 20 0 DGADMP Cc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)cc(N2CCCC2)[nH+]1 ZINC001155339120 1089074204 /nfs/dbraw/zinc/07/42/04/1089074204.db2.gz FLQBJSMOPYXMOJ-ZDUSSCGKSA-N 2 1 321.428 3.349 20 0 DGADMP Cc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)cc(N2CCCC2)[nH+]1 ZINC001155339119 1089074256 /nfs/dbraw/zinc/07/42/56/1089074256.db2.gz FLQBJSMOPYXMOJ-CYBMUJFWSA-N 2 1 321.428 3.349 20 0 DGADMP Cc1ccc2c(c1)[C@@H](Nc1ccc(N)c[nH+]1)CC21CC[NH2+]CC1 ZINC001155431928 1089108505 /nfs/dbraw/zinc/10/85/05/1089108505.db2.gz ZZTSKPISYAOQQT-KRWDZBQOSA-N 2 1 308.429 3.150 20 0 DGADMP CCCC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607622 1089183245 /nfs/dbraw/zinc/18/32/45/1089183245.db2.gz RREVXASMVRGRGY-MRXNPFEDSA-N 2 1 322.497 3.023 20 0 DGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607622 1089183251 /nfs/dbraw/zinc/18/32/51/1089183251.db2.gz RREVXASMVRGRGY-MRXNPFEDSA-N 2 1 322.497 3.023 20 0 DGADMP Cc1cccc2c1cc[nH+]c2N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001155826780 1089258436 /nfs/dbraw/zinc/25/84/36/1089258436.db2.gz SCGCVNQGKWUTMT-PKOBYXMFSA-N 2 1 311.429 3.256 20 0 DGADMP C[C@@H](C[NH+](C)C)Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001155913733 1089297312 /nfs/dbraw/zinc/29/73/12/1089297312.db2.gz CIHCVTKYELIFRM-INIZCTEOSA-N 2 1 324.472 3.002 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCCCC[NH+](C)C)nc1 ZINC001161728567 1089373076 /nfs/dbraw/zinc/37/30/76/1089373076.db2.gz OXJWGZFGJYMRJX-MRXNPFEDSA-N 2 1 304.482 3.210 20 0 DGADMP c1ccc([C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C2CC2)cc1 ZINC001161955296 1089491210 /nfs/dbraw/zinc/49/12/10/1089491210.db2.gz OBBLOMAUBQVCFV-GOSISDBHSA-N 2 1 308.429 3.054 20 0 DGADMP Cc1c[nH+]c(N2CCC([NH3+])(Cc3ccccc3F)CC2)c(C)c1 ZINC001161987031 1089512544 /nfs/dbraw/zinc/51/25/44/1089512544.db2.gz IABYHRVVAVBFJE-UHFFFAOYSA-N 2 1 313.420 3.378 20 0 DGADMP c1ccc2c(c1)cc[nH+]c2NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162033402 1089535186 /nfs/dbraw/zinc/53/51/86/1089535186.db2.gz WQCYFURBDDCQHF-UHFFFAOYSA-N 2 1 318.424 3.363 20 0 DGADMP Cc1c[nH+]c(NCC2CC[NH+](C(C)C)CC2)nc1NC(C)C ZINC001156494208 1089548151 /nfs/dbraw/zinc/54/81/51/1089548151.db2.gz ADNZGKXMYFMBND-UHFFFAOYSA-N 2 1 305.470 3.138 20 0 DGADMP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]1 ZINC001162452492 1089737615 /nfs/dbraw/zinc/73/76/15/1089737615.db2.gz FMPIWYGOWRQQSF-JQWIXIFHSA-N 2 1 301.356 3.456 20 0 DGADMP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]1 ZINC001162452493 1089738616 /nfs/dbraw/zinc/73/86/16/1089738616.db2.gz FMPIWYGOWRQQSF-PWSUYJOCSA-N 2 1 301.356 3.456 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2ccc3c2CC[NH2+]C3)nc1 ZINC001157453923 1089973827 /nfs/dbraw/zinc/97/38/27/1089973827.db2.gz NYITWSVAXXUFQT-KRWDZBQOSA-N 2 1 310.445 3.065 20 0 DGADMP [NH3+][C@@H]1Cc2ccccc2N(c2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001162844357 1089988937 /nfs/dbraw/zinc/98/89/37/1089988937.db2.gz MSXVOSCITHIPTE-MRXNPFEDSA-N 2 1 308.429 3.093 20 0 DGADMP [NH3+][C@H]1Cc2ccccc2N(c2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001162844355 1089989666 /nfs/dbraw/zinc/98/96/66/1089989666.db2.gz MSXVOSCITHIPTE-INIZCTEOSA-N 2 1 308.429 3.093 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(N3C[C@H]([NH3+])Cc4ccccc43)cc2)C1 ZINC001162854246 1089993098 /nfs/dbraw/zinc/99/30/98/1089993098.db2.gz NOVFGFGBQFOVRW-ZWKOTPCHSA-N 2 1 307.441 3.127 20 0 DGADMP CC(C)c1cccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001162964730 1090037428 /nfs/dbraw/zinc/03/74/28/1090037428.db2.gz ABKDEOOLVHCOBJ-OAHLLOKOSA-N 2 1 303.450 3.166 20 0 DGADMP CC(C)N(c1nc(Cl)ccc1C[NH+]1CCCC1)C(C)(C)C[NH3+] ZINC001163188482 1090106244 /nfs/dbraw/zinc/10/62/44/1090106244.db2.gz WSTODRPNVWCDCC-UHFFFAOYSA-N 2 1 324.900 3.283 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(C(C)C)[C@@H]2CC[NH2+]C2)nc1 ZINC001158035109 1090176776 /nfs/dbraw/zinc/17/67/76/1090176776.db2.gz PRFOYCQRHMWOAE-MSOLQXFVSA-N 2 1 316.493 3.205 20 0 DGADMP C[C@@H](C[NH+](C)C)Nc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001163772882 1090255232 /nfs/dbraw/zinc/25/52/32/1090255232.db2.gz QDFATXDVKHEMMK-INIZCTEOSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1cc(C[NH3+])nn1-c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001163986000 1090308060 /nfs/dbraw/zinc/30/80/60/1090308060.db2.gz NKLQQCOXECMHLJ-UHFFFAOYSA-N 2 1 318.424 3.155 20 0 DGADMP CCOc1c(C)cc(C)cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164216959 1090374757 /nfs/dbraw/zinc/37/47/57/1090374757.db2.gz NVQWVJZTJNJPAP-UHFFFAOYSA-N 2 1 319.493 3.140 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C[NH3+])CC[C@@H]2C)nc1 ZINC001164473285 1090428405 /nfs/dbraw/zinc/42/84/05/1090428405.db2.gz DZEANRLQZHONNL-XYJFISCASA-N 2 1 316.493 3.192 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@H]2C[NH+](C)C)nc1 ZINC001165074311 1090461076 /nfs/dbraw/zinc/46/10/76/1090461076.db2.gz KPLKTMZBLXADAR-ROUUACIJSA-N 2 1 316.493 3.159 20 0 DGADMP COc1ccc2cc[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)c2c1 ZINC001165245986 1090488235 /nfs/dbraw/zinc/48/82/35/1090488235.db2.gz ABTWQPSAJHWKGD-UHFFFAOYSA-N 2 1 311.429 3.356 20 0 DGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2ccc4c([nH+]2)CCC4)C3)cc1 ZINC001165421231 1090519050 /nfs/dbraw/zinc/51/90/50/1090519050.db2.gz LFWURRJAZKLSAI-NQIIRXRSSA-N 2 1 319.452 3.154 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC001142941613 1090544396 /nfs/dbraw/zinc/54/43/96/1090544396.db2.gz JDWCJJJLLDCGTQ-UHFFFAOYSA-N 2 1 302.462 3.230 20 0 DGADMP c1coc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001203277206 1090712346 /nfs/dbraw/zinc/71/23/46/1090712346.db2.gz ATKYWVIUOZFWCF-UHFFFAOYSA-N 2 1 300.402 3.361 20 0 DGADMP Oc1cncc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)c1 ZINC001276411922 1090744325 /nfs/dbraw/zinc/74/43/25/1090744325.db2.gz OQLMMWUDOKWCIK-RBUKOAKNSA-N 2 1 315.461 3.254 20 0 DGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001203837858 1090816645 /nfs/dbraw/zinc/81/66/45/1090816645.db2.gz BTEVKOFZUUXWMU-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001486477862 1090852060 /nfs/dbraw/zinc/85/20/60/1090852060.db2.gz FOUIBUOUCPPLCS-ABHNRTSZSA-N 2 1 323.525 3.019 20 0 DGADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001203990404 1090860457 /nfs/dbraw/zinc/86/04/57/1090860457.db2.gz CMTMQBUFAYJDFH-OXQOHEQNSA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001203990404 1090860464 /nfs/dbraw/zinc/86/04/64/1090860464.db2.gz CMTMQBUFAYJDFH-OXQOHEQNSA-N 2 1 310.441 3.232 20 0 DGADMP Cc1cc(N2CC[NH+](Cc3ccc[nH]3)CC2)c2ccccc2[nH+]1 ZINC001204006977 1090866844 /nfs/dbraw/zinc/86/68/44/1090866844.db2.gz NDZRKYGJOZZCJA-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204012649 1090869566 /nfs/dbraw/zinc/86/95/66/1090869566.db2.gz IOTDXTMCCJTRDA-SJORKVTESA-N 2 1 313.470 3.097 20 0 DGADMP c1csc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204012649 1090869570 /nfs/dbraw/zinc/86/95/70/1090869570.db2.gz IOTDXTMCCJTRDA-SJORKVTESA-N 2 1 313.470 3.097 20 0 DGADMP c1csc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204012649 1090869574 /nfs/dbraw/zinc/86/95/74/1090869574.db2.gz IOTDXTMCCJTRDA-SJORKVTESA-N 2 1 313.470 3.097 20 0 DGADMP c1csc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204012649 1090869585 /nfs/dbraw/zinc/86/95/85/1090869585.db2.gz IOTDXTMCCJTRDA-SJORKVTESA-N 2 1 313.470 3.097 20 0 DGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(C)s2)CC1 ZINC001204033066 1090876588 /nfs/dbraw/zinc/87/65/88/1090876588.db2.gz FLFAKIWTPLMVCL-MRXNPFEDSA-N 2 1 308.491 3.132 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC001204082281 1090897043 /nfs/dbraw/zinc/89/70/43/1090897043.db2.gz SUSQFXNTMHTWAT-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC001204082281 1090897052 /nfs/dbraw/zinc/89/70/52/1090897052.db2.gz SUSQFXNTMHTWAT-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC001204082281 1090897060 /nfs/dbraw/zinc/89/70/60/1090897060.db2.gz SUSQFXNTMHTWAT-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC001204082281 1090897068 /nfs/dbraw/zinc/89/70/68/1090897068.db2.gz SUSQFXNTMHTWAT-VQTJNVASSA-N 2 1 307.441 3.036 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(O)cc4)C[C@H]3C2)cc1 ZINC001204091674 1090900278 /nfs/dbraw/zinc/90/02/78/1090900278.db2.gz HCCTXVLMKRUVAU-WOJBJXKFSA-N 2 1 322.452 3.264 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(O)c(OCC)c2)CC1 ZINC001204134754 1090905952 /nfs/dbraw/zinc/90/59/52/1090905952.db2.gz QQLLSAFPBDZRSM-UHFFFAOYSA-N 2 1 320.477 3.487 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c(OCC)c2)CC1 ZINC001204134754 1090905957 /nfs/dbraw/zinc/90/59/57/1090905957.db2.gz QQLLSAFPBDZRSM-UHFFFAOYSA-N 2 1 320.477 3.487 20 0 DGADMP CCOc1cc(C[N@@H+](C(C)C)C2CCN(C)CC2)ccc1OC ZINC001204192964 1090918398 /nfs/dbraw/zinc/91/83/98/1090918398.db2.gz HGZFGDINCWBZIL-UHFFFAOYSA-N 2 1 320.477 3.399 20 0 DGADMP CO[C@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204269808 1090936818 /nfs/dbraw/zinc/93/68/18/1090936818.db2.gz KFONWSHOVZOJBK-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP CCCO[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204266874 1090937128 /nfs/dbraw/zinc/93/71/28/1090937128.db2.gz AKIQXFUHVJJLCE-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001276451850 1090941791 /nfs/dbraw/zinc/94/17/91/1090941791.db2.gz HOYMBMJATSXCBO-UHFFFAOYSA-N 2 1 321.553 3.306 20 0 DGADMP C[N@H+]1CCC[C@]2(CCCN(CCc3c(F)cccc3F)C2)C1 ZINC001276456401 1090951766 /nfs/dbraw/zinc/95/17/66/1090951766.db2.gz ZHFGAFDBXCUOGN-SFHVURJKSA-N 2 1 308.416 3.315 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1OC ZINC001204361213 1090956086 /nfs/dbraw/zinc/95/60/86/1090956086.db2.gz CMKNYUOAHMTONZ-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP CC/C=C\CCC[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276465578 1090971751 /nfs/dbraw/zinc/97/17/51/1090971751.db2.gz KXEWPXDHNIZCPL-KKHYBRAUSA-N 2 1 321.553 3.472 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3F)C[C@@H]2C1 ZINC001204465401 1090975998 /nfs/dbraw/zinc/97/59/98/1090975998.db2.gz DSUWNJVLPSETCB-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3F)C[C@@H]2C1 ZINC001204465401 1090976003 /nfs/dbraw/zinc/97/60/03/1090976003.db2.gz DSUWNJVLPSETCB-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3F)C[C@@H]2C1 ZINC001204465401 1090976009 /nfs/dbraw/zinc/97/60/09/1090976009.db2.gz DSUWNJVLPSETCB-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3F)C[C@@H]2C1 ZINC001204465401 1090976012 /nfs/dbraw/zinc/97/60/12/1090976012.db2.gz DSUWNJVLPSETCB-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)CC1 ZINC001204690360 1091018582 /nfs/dbraw/zinc/01/85/82/1091018582.db2.gz PWKVMUNQQWFUOQ-YLJYHZDGSA-N 2 1 316.489 3.489 20 0 DGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC001204754896 1091030611 /nfs/dbraw/zinc/03/06/11/1091030611.db2.gz BWDWEWDDCRAYMX-CYBMUJFWSA-N 2 1 320.820 3.150 20 0 DGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC001204754896 1091030619 /nfs/dbraw/zinc/03/06/19/1091030619.db2.gz BWDWEWDDCRAYMX-CYBMUJFWSA-N 2 1 320.820 3.150 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854226 1091048964 /nfs/dbraw/zinc/04/89/64/1091048964.db2.gz IWQAJIPFZGUBDM-ABAIWWIYSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001204854226 1091048969 /nfs/dbraw/zinc/04/89/69/1091048969.db2.gz IWQAJIPFZGUBDM-ABAIWWIYSA-N 2 1 314.807 3.189 20 0 DGADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204897348 1091058846 /nfs/dbraw/zinc/05/88/46/1091058846.db2.gz XRHKWGHDIUBEPY-NSHGMRRFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918879 1091063068 /nfs/dbraw/zinc/06/30/68/1091063068.db2.gz OOGWBEJJAJBRLQ-UDTPNQRGSA-N 2 1 300.490 3.299 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001205009631 1091083671 /nfs/dbraw/zinc/08/36/71/1091083671.db2.gz ZNBRKFMIHXBDLL-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001205009631 1091083677 /nfs/dbraw/zinc/08/36/77/1091083677.db2.gz ZNBRKFMIHXBDLL-ZDUSSCGKSA-N 2 1 300.368 3.179 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001205046706 1091089716 /nfs/dbraw/zinc/08/97/16/1091089716.db2.gz JEFINBPUBJINSX-UHFFFAOYSA-N 2 1 317.658 3.273 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001205068090 1091093366 /nfs/dbraw/zinc/09/33/66/1091093366.db2.gz ALDYCFGGTGHMJU-YJBOKZPZSA-N 2 1 320.440 3.337 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001205068090 1091093371 /nfs/dbraw/zinc/09/33/71/1091093371.db2.gz ALDYCFGGTGHMJU-YJBOKZPZSA-N 2 1 320.440 3.337 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001205110112 1091104651 /nfs/dbraw/zinc/10/46/51/1091104651.db2.gz OYEABRIFDSTYEY-CQSZACIVSA-N 2 1 305.422 3.262 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001205110112 1091104656 /nfs/dbraw/zinc/10/46/56/1091104656.db2.gz OYEABRIFDSTYEY-CQSZACIVSA-N 2 1 305.422 3.262 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)c2ccccc2n3C)C[C@H]1C[NH3+] ZINC001205135917 1091109954 /nfs/dbraw/zinc/10/99/54/1091109954.db2.gz GNILWKYCHJKBOU-GOEBONIOSA-N 2 1 307.441 3.358 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2-c2cccs2)CC1 ZINC001205229813 1091139678 /nfs/dbraw/zinc/13/96/78/1091139678.db2.gz PLCIHEDPCHMLHO-GOSISDBHSA-N 2 1 316.470 3.091 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205242608 1091146420 /nfs/dbraw/zinc/14/64/20/1091146420.db2.gz YNFVGNLPZLXADB-IBGZPJMESA-N 2 1 304.478 3.050 20 0 DGADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c2)cc1 ZINC001205249756 1091149786 /nfs/dbraw/zinc/14/97/86/1091149786.db2.gz ZLIAKJMFRWKNPP-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001205255479 1091151334 /nfs/dbraw/zinc/15/13/34/1091151334.db2.gz JGYSAHFKAVTAMH-HXUWFJFHSA-N 2 1 316.489 3.410 20 0 DGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274392 1091161286 /nfs/dbraw/zinc/16/12/86/1091161286.db2.gz WXZXXWVAGGJLQJ-AWEZNQCLSA-N 2 1 301.356 3.112 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1C(F)(F)F ZINC001205281866 1091164591 /nfs/dbraw/zinc/16/45/91/1091164591.db2.gz ZBGXHXFCKHXHQB-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1C(F)(F)F ZINC001205281866 1091164592 /nfs/dbraw/zinc/16/45/92/1091164592.db2.gz ZBGXHXFCKHXHQB-HNNXBMFYSA-N 2 1 316.367 3.417 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303441 1091172389 /nfs/dbraw/zinc/17/23/89/1091172389.db2.gz FQCVDVMPIBDGKT-JSGCOSHPSA-N 2 1 300.368 3.431 20 0 DGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303441 1091172401 /nfs/dbraw/zinc/17/24/01/1091172401.db2.gz FQCVDVMPIBDGKT-JSGCOSHPSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303294 1091173585 /nfs/dbraw/zinc/17/35/85/1091173585.db2.gz CCLKQZUEPUVGHM-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303294 1091173591 /nfs/dbraw/zinc/17/35/91/1091173591.db2.gz CCLKQZUEPUVGHM-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205316491 1091182646 /nfs/dbraw/zinc/18/26/46/1091182646.db2.gz KBKRGEHZCXHMAE-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)C[C@H]1C[NH3+] ZINC001205316491 1091182648 /nfs/dbraw/zinc/18/26/48/1091182648.db2.gz KBKRGEHZCXHMAE-TZMCWYRMSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cccc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC001205318978 1091184243 /nfs/dbraw/zinc/18/42/43/1091184243.db2.gz XKCMHPAWDJMSPG-ZIAGYGMSSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC001205318978 1091184247 /nfs/dbraw/zinc/18/42/47/1091184247.db2.gz XKCMHPAWDJMSPG-ZIAGYGMSSA-N 2 1 301.459 3.227 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC1CC[NH+](C)CC1)[C@H]2C ZINC001205353047 1091196427 /nfs/dbraw/zinc/19/64/27/1091196427.db2.gz AZBDSSLVJGFZRJ-GJZGRUSLSA-N 2 1 302.462 3.345 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001205405109 1091213492 /nfs/dbraw/zinc/21/34/92/1091213492.db2.gz CUICUOQTDSRPAI-ZWKOTPCHSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1cccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001205405109 1091213499 /nfs/dbraw/zinc/21/34/99/1091213499.db2.gz CUICUOQTDSRPAI-ZWKOTPCHSA-N 2 1 304.478 3.017 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2OC(F)(F)F)CC1 ZINC001205546043 1091247686 /nfs/dbraw/zinc/24/76/86/1091247686.db2.gz PLEAUICOJZLBBU-AWEZNQCLSA-N 2 1 320.330 3.238 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1C(C)C ZINC001205558022 1091251344 /nfs/dbraw/zinc/25/13/44/1091251344.db2.gz APLDJTMGPQYLTI-SFHVURJKSA-N 2 1 308.441 3.472 20 0 DGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205559530 1091253213 /nfs/dbraw/zinc/25/32/13/1091253213.db2.gz RRMLXOGWOGIYJS-OAHLLOKOSA-N 2 1 302.796 3.440 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cc21 ZINC001205559124 1091253939 /nfs/dbraw/zinc/25/39/39/1091253939.db2.gz OBJPGGWOVDFKBC-GOSISDBHSA-N 2 1 303.425 3.314 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Cl ZINC001205559027 1091253980 /nfs/dbraw/zinc/25/39/80/1091253980.db2.gz NCXNTUGKCBUOLY-OAHLLOKOSA-N 2 1 300.805 3.002 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001205559448 1091254092 /nfs/dbraw/zinc/25/40/92/1091254092.db2.gz QYUZVQHZZRRNBH-SFHVURJKSA-N 2 1 302.393 3.198 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205559589 1091254350 /nfs/dbraw/zinc/25/43/50/1091254350.db2.gz SHETWJJTDCMZDQ-IBGZPJMESA-N 2 1 313.420 3.402 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Cl ZINC001205559901 1091254803 /nfs/dbraw/zinc/25/48/03/1091254803.db2.gz WXBCHJVMWBFBEI-INIZCTEOSA-N 2 1 314.832 3.392 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205582906 1091267214 /nfs/dbraw/zinc/26/72/14/1091267214.db2.gz ZNUFAMMKXUNNMR-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205582906 1091267217 /nfs/dbraw/zinc/26/72/17/1091267217.db2.gz ZNUFAMMKXUNNMR-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP CCCn1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001138638387 1091271678 /nfs/dbraw/zinc/27/16/78/1091271678.db2.gz QJSMFHXPUVCFEU-UHFFFAOYSA-N 2 1 306.498 3.154 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205602543 1091274349 /nfs/dbraw/zinc/27/43/49/1091274349.db2.gz JKVHJHOVISSTFR-OLZOCXBDSA-N 2 1 316.367 3.392 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC[C@H]1C[NH3+] ZINC001205627842 1091286421 /nfs/dbraw/zinc/28/64/21/1091286421.db2.gz SIBGWLCLRNFXTM-HIFRSBDPSA-N 2 1 301.409 3.181 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC001205627376 1091286658 /nfs/dbraw/zinc/28/66/58/1091286658.db2.gz OTSYHPXCFBHWCP-WDEREUQCSA-N 2 1 302.796 3.425 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205638770 1091292570 /nfs/dbraw/zinc/29/25/70/1091292570.db2.gz RVGDJAMXQJRGOM-RYUDHWBXSA-N 2 1 306.841 3.023 20 0 DGADMP CCCOc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651372 1091295801 /nfs/dbraw/zinc/29/58/01/1091295801.db2.gz DBIINOQECDQUJF-LSDHHAIUSA-N 2 1 308.441 3.421 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652222 1091298889 /nfs/dbraw/zinc/29/88/89/1091298889.db2.gz ONDCSCCOZVCBHO-GJZGRUSLSA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205655310 1091299169 /nfs/dbraw/zinc/29/91/69/1091299169.db2.gz ZDVRVIQSGDRRLS-QWHCGFSZSA-N 2 1 320.868 3.034 20 0 DGADMP CC[N@H+](Cc1cn(C2CC2)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC001205678889 1091309200 /nfs/dbraw/zinc/30/92/00/1091309200.db2.gz VIRLFSUGZFBPSN-UHFFFAOYSA-N 2 1 312.461 3.302 20 0 DGADMP CC[N@@H+](Cc1cn(C2CC2)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC001205678889 1091309212 /nfs/dbraw/zinc/30/92/12/1091309212.db2.gz VIRLFSUGZFBPSN-UHFFFAOYSA-N 2 1 312.461 3.302 20 0 DGADMP Cc1cccc(-c2ccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)cc2)c1 ZINC001205689241 1091314897 /nfs/dbraw/zinc/31/48/97/1091314897.db2.gz MUJXDHLHBMGCOF-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP c1nocc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001205763958 1091337472 /nfs/dbraw/zinc/33/74/72/1091337472.db2.gz WGESUAYQLBFHFD-MOPGFXCFSA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001205763958 1091337480 /nfs/dbraw/zinc/33/74/80/1091337480.db2.gz WGESUAYQLBFHFD-MOPGFXCFSA-N 2 1 311.429 3.019 20 0 DGADMP c1nocc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001205763958 1091337492 /nfs/dbraw/zinc/33/74/92/1091337492.db2.gz WGESUAYQLBFHFD-MOPGFXCFSA-N 2 1 311.429 3.019 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902717 1091398991 /nfs/dbraw/zinc/39/89/91/1091398991.db2.gz LEZWVAHGYNCYOQ-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC001205902717 1091399001 /nfs/dbraw/zinc/39/90/01/1091399001.db2.gz LEZWVAHGYNCYOQ-OCCSQVGLSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001205912879 1091407010 /nfs/dbraw/zinc/40/70/10/1091407010.db2.gz DMPSLQQAUGAZMD-PBHICJAKSA-N 2 1 318.461 3.201 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914102 1091407184 /nfs/dbraw/zinc/40/71/84/1091407184.db2.gz KZNCFTKAJOEFNS-QWHCGFSZSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914102 1091407191 /nfs/dbraw/zinc/40/71/91/1091407191.db2.gz KZNCFTKAJOEFNS-QWHCGFSZSA-N 2 1 303.837 3.447 20 0 DGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205914116 1091407886 /nfs/dbraw/zinc/40/78/86/1091407886.db2.gz LAFQLGGIXKEFKW-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205914761 1091409536 /nfs/dbraw/zinc/40/95/36/1091409536.db2.gz NFLSTHWSLOQCOY-WFASDCNBSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001205917192 1091411000 /nfs/dbraw/zinc/41/10/00/1091411000.db2.gz XHNZSDUUKKITAB-YOEHRIQHSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001205916130 1091411227 /nfs/dbraw/zinc/41/12/27/1091411227.db2.gz RYMLTOSSQGNBEC-YOEHRIQHSA-N 2 1 302.462 3.349 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916957 1091411657 /nfs/dbraw/zinc/41/16/57/1091411657.db2.gz WZCFCKIYLVGUBC-UONOGXRCSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916957 1091411661 /nfs/dbraw/zinc/41/16/61/1091411661.db2.gz WZCFCKIYLVGUBC-UONOGXRCSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916956 1091412051 /nfs/dbraw/zinc/41/20/51/1091412051.db2.gz WZCFCKIYLVGUBC-KGLIPLIRSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccn2)cc1Cl ZINC001205916956 1091412056 /nfs/dbraw/zinc/41/20/56/1091412056.db2.gz WZCFCKIYLVGUBC-KGLIPLIRSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924400 1091415290 /nfs/dbraw/zinc/41/52/90/1091415290.db2.gz SGKCWHIBBMQTSO-HOCLYGCPSA-N 2 1 313.420 3.447 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(-c2ccccc2)cnc1F ZINC001205924400 1091415294 /nfs/dbraw/zinc/41/52/94/1091415294.db2.gz SGKCWHIBBMQTSO-HOCLYGCPSA-N 2 1 313.420 3.447 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(C)C ZINC001205992578 1091439230 /nfs/dbraw/zinc/43/92/30/1091439230.db2.gz FKFPGGYFDPOFIZ-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205992566 1091439534 /nfs/dbraw/zinc/43/95/34/1091439534.db2.gz FJJHLQBARNRUDT-QZTJIDSGSA-N 2 1 315.505 3.484 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC001206003887 1091445369 /nfs/dbraw/zinc/44/53/69/1091445369.db2.gz NJUVSYQUQLIZBB-NVXWUHKLSA-N 2 1 320.477 3.291 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc21 ZINC001206011242 1091450442 /nfs/dbraw/zinc/45/04/42/1091450442.db2.gz AWRIXSLCSWTGIB-GJZGRUSLSA-N 2 1 313.445 3.050 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccn2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206014006 1091451505 /nfs/dbraw/zinc/45/15/05/1091451505.db2.gz UZIZMMXNFZBDHQ-IEBWSBKVSA-N 2 1 311.473 3.343 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC(C)C)c1 ZINC001206024131 1091455436 /nfs/dbraw/zinc/45/54/36/1091455436.db2.gz HYBMKUVPCNHQMA-CVEARBPZSA-N 2 1 320.477 3.289 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC001206037498 1091462952 /nfs/dbraw/zinc/46/29/52/1091462952.db2.gz VTRKFHRIISLILD-GOEBONIOSA-N 2 1 308.441 3.420 20 0 DGADMP Cc1cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(C)s1 ZINC001119449892 1091512304 /nfs/dbraw/zinc/51/23/04/1091512304.db2.gz ABGKHVCAIYUTMH-UHFFFAOYSA-N 2 1 308.491 3.098 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccnc3c(Cl)cccc23)CC[C@H]1F ZINC001206197872 1091530654 /nfs/dbraw/zinc/53/06/54/1091530654.db2.gz JPTSCRVYLBRPIB-CABCVRRESA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccnc3c(Cl)cccc23)CC[C@H]1F ZINC001206197872 1091530656 /nfs/dbraw/zinc/53/06/56/1091530656.db2.gz JPTSCRVYLBRPIB-CABCVRRESA-N 2 1 307.800 3.149 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC[C@@H]1F ZINC001206198666 1091533410 /nfs/dbraw/zinc/53/34/10/1091533410.db2.gz NHQYTDXTGZMWQK-DLBZAZTESA-N 2 1 317.383 3.149 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C)c1OC(C)C ZINC001206211753 1091538698 /nfs/dbraw/zinc/53/86/98/1091538698.db2.gz PJLZWTPNNXEUSB-SJORKVTESA-N 2 1 308.441 3.352 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001206285850 1091563058 /nfs/dbraw/zinc/56/30/58/1091563058.db2.gz OOWATLBJQRPUIJ-CQSZACIVSA-N 2 1 315.848 3.443 20 0 DGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001206285850 1091563070 /nfs/dbraw/zinc/56/30/70/1091563070.db2.gz OOWATLBJQRPUIJ-CQSZACIVSA-N 2 1 315.848 3.443 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(F)c(F)cc(F)c2F)CC1 ZINC001206303740 1091569349 /nfs/dbraw/zinc/56/93/49/1091569349.db2.gz GIZBWKCAELFUQK-HNNXBMFYSA-N 2 1 304.331 3.194 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)c(F)cc(F)c2F)CC1 ZINC001206303740 1091569362 /nfs/dbraw/zinc/56/93/62/1091569362.db2.gz GIZBWKCAELFUQK-HNNXBMFYSA-N 2 1 304.331 3.194 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[NH+]1CCCC1 ZINC001206308533 1091571010 /nfs/dbraw/zinc/57/10/10/1091571010.db2.gz DGNNCNIVDPQTEX-PKOBYXMFSA-N 2 1 302.462 3.009 20 0 DGADMP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)[nH]1 ZINC001206305218 1091571709 /nfs/dbraw/zinc/57/17/09/1091571709.db2.gz WFPRIVMYTOKKMM-MRXNPFEDSA-N 2 1 312.889 3.357 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001206305377 1091571959 /nfs/dbraw/zinc/57/19/59/1091571959.db2.gz YBRXRMSGSQBCOR-GOSISDBHSA-N 2 1 316.424 3.167 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206310755 1091573379 /nfs/dbraw/zinc/57/33/79/1091573379.db2.gz BQDQBVNEWBKYMQ-LJQANCHMSA-N 2 1 312.461 3.132 20 0 DGADMP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311664 1091573410 /nfs/dbraw/zinc/57/34/10/1091573410.db2.gz SFICWWOLEAWFCF-IBGZPJMESA-N 2 1 312.461 3.038 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001206311605 1091574109 /nfs/dbraw/zinc/57/41/09/1091574109.db2.gz RFYVACPFZUHXMC-IBGZPJMESA-N 2 1 316.493 3.023 20 0 DGADMP COc1ncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c2ccccc21 ZINC001206318812 1091576477 /nfs/dbraw/zinc/57/64/77/1091576477.db2.gz UMUMDENXBHUUJT-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206334856 1091583615 /nfs/dbraw/zinc/58/36/15/1091583615.db2.gz AAHBZUUGNAJAAD-SFHVURJKSA-N 2 1 306.450 3.045 20 0 DGADMP CCC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202962600 1091649442 /nfs/dbraw/zinc/64/94/42/1091649442.db2.gz KCGQAMHSGYZMTK-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP CCC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202962600 1091649447 /nfs/dbraw/zinc/64/94/47/1091649447.db2.gz KCGQAMHSGYZMTK-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP [NH3+]CCC1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001206500796 1091651483 /nfs/dbraw/zinc/65/14/83/1091651483.db2.gz RTCYCGSJZKDPEB-FQEVSTJZSA-N 2 1 315.505 3.102 20 0 DGADMP [NH3+]CCC1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001206500796 1091651485 /nfs/dbraw/zinc/65/14/85/1091651485.db2.gz RTCYCGSJZKDPEB-FQEVSTJZSA-N 2 1 315.505 3.102 20 0 DGADMP COc1cc(Cl)cc(F)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506793 1091654064 /nfs/dbraw/zinc/65/40/64/1091654064.db2.gz PYLQHPGOQXBPRP-UHFFFAOYSA-N 2 1 300.805 3.049 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC001206548100 1091665474 /nfs/dbraw/zinc/66/54/74/1091665474.db2.gz GIHKTEFOQOKANQ-SFHVURJKSA-N 2 1 316.424 3.167 20 0 DGADMP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555372 1091667113 /nfs/dbraw/zinc/66/71/13/1091667113.db2.gz JYHFBIZPVIJABA-IBGZPJMESA-N 2 1 312.461 3.038 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3ccccn3)n2)C1 ZINC001206572528 1091673217 /nfs/dbraw/zinc/67/32/17/1091673217.db2.gz CFVKVOXIWQCFJJ-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP COc1c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc(F)c1F ZINC001206599718 1091684283 /nfs/dbraw/zinc/68/42/83/1091684283.db2.gz WBOXBILIVUBKQU-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP COc1c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc(F)c1F ZINC001206599718 1091684285 /nfs/dbraw/zinc/68/42/85/1091684285.db2.gz WBOXBILIVUBKQU-AWEZNQCLSA-N 2 1 312.404 3.326 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccncc2Cl)CC1 ZINC001139849199 1091690924 /nfs/dbraw/zinc/69/09/24/1091690924.db2.gz ZETQKPRMQCWOCN-UHFFFAOYSA-N 2 1 316.836 3.177 20 0 DGADMP CC(C)CCCC[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001206619673 1091691316 /nfs/dbraw/zinc/69/13/16/1091691316.db2.gz FQOWUYYNTZHYCG-LJQANCHMSA-N 2 1 304.478 3.169 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206622478 1091693081 /nfs/dbraw/zinc/69/30/81/1091693081.db2.gz CNCYBCPQFHDRBV-GFCCVEGCSA-N 2 1 320.330 3.285 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001206622478 1091693086 /nfs/dbraw/zinc/69/30/86/1091693086.db2.gz CNCYBCPQFHDRBV-GFCCVEGCSA-N 2 1 320.330 3.285 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206623863 1091693715 /nfs/dbraw/zinc/69/37/15/1091693715.db2.gz PVXKCXKCSCRDIE-CYBMUJFWSA-N 2 1 316.367 3.454 20 0 DGADMP C[C@]1(F)CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@H]1F ZINC001206744241 1091720548 /nfs/dbraw/zinc/72/05/48/1091720548.db2.gz HGNGVVKYCNKVJP-AEFFLSMTSA-N 2 1 319.399 3.017 20 0 DGADMP C[C@]1(F)CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@H]1F ZINC001206744241 1091720554 /nfs/dbraw/zinc/72/05/54/1091720554.db2.gz HGNGVVKYCNKVJP-AEFFLSMTSA-N 2 1 319.399 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCc1ccccc1Br ZINC001206760412 1091726908 /nfs/dbraw/zinc/72/69/08/1091726908.db2.gz FWQZCRCVNJAFGJ-CHWSQXEVSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccccc1Br ZINC001206760412 1091726915 /nfs/dbraw/zinc/72/69/15/1091726915.db2.gz FWQZCRCVNJAFGJ-CHWSQXEVSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])CN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001206761148 1091729078 /nfs/dbraw/zinc/72/90/78/1091729078.db2.gz USXJIQSLZXWKCT-YZGWKJHDSA-N 2 1 315.505 3.100 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001206768280 1091731934 /nfs/dbraw/zinc/73/19/34/1091731934.db2.gz IHMVKYCNZRQMDF-LSDHHAIUSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccn1-c1ccccc1F ZINC001206768280 1091731939 /nfs/dbraw/zinc/73/19/39/1091731939.db2.gz IHMVKYCNZRQMDF-LSDHHAIUSA-N 2 1 301.409 3.176 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771427 1091732942 /nfs/dbraw/zinc/73/29/42/1091732942.db2.gz WQYPTMFXIALCGQ-JQWIXIFHSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001206771427 1091732945 /nfs/dbraw/zinc/73/29/45/1091732945.db2.gz WQYPTMFXIALCGQ-JQWIXIFHSA-N 2 1 304.331 3.404 20 0 DGADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140023557 1091742716 /nfs/dbraw/zinc/74/27/16/1091742716.db2.gz QMBDNKBQRBTAFX-IEBWSBKVSA-N 2 1 311.429 3.182 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001140027416 1091743524 /nfs/dbraw/zinc/74/35/24/1091743524.db2.gz LXGLQNHELKCSKN-LJQANCHMSA-N 2 1 324.472 3.241 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC([N@H+](C)C2CC2)CC1 ZINC001140027732 1091744231 /nfs/dbraw/zinc/74/42/31/1091744231.db2.gz XBYHDGNJDWBJJR-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001140027732 1091744237 /nfs/dbraw/zinc/74/42/37/1091744237.db2.gz XBYHDGNJDWBJJR-UHFFFAOYSA-N 2 1 324.472 3.239 20 0 DGADMP Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2-n2ccnc2C)n1 ZINC001140026267 1091744474 /nfs/dbraw/zinc/74/44/74/1091744474.db2.gz JLOKVHRGEPRZLL-KRWDZBQOSA-N 2 1 323.400 3.209 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206812188 1091750495 /nfs/dbraw/zinc/75/04/95/1091750495.db2.gz XNYMQROPDWGWBL-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206812188 1091750501 /nfs/dbraw/zinc/75/05/01/1091750501.db2.gz XNYMQROPDWGWBL-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC ZINC001085389411 1091762932 /nfs/dbraw/zinc/76/29/32/1091762932.db2.gz HWBXFJSOYNCJBR-KURKYZTESA-N 2 1 323.525 3.068 20 0 DGADMP c1cc(-c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)ccn1 ZINC001140175492 1091792487 /nfs/dbraw/zinc/79/24/87/1091792487.db2.gz SQPGSNHKDCAXNH-UHFFFAOYSA-N 2 1 307.441 3.419 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3cccc(O)c23)CC1 ZINC001140233110 1091804577 /nfs/dbraw/zinc/80/45/77/1091804577.db2.gz FUTSIYBYMMRKOO-UHFFFAOYSA-N 2 1 315.461 3.426 20 0 DGADMP c1[nH+]c(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)n2ccccc12 ZINC001207050174 1091829159 /nfs/dbraw/zinc/82/91/59/1091829159.db2.gz LMCFFRUFGCRSEA-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP c1[nH+]c(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)n2ccccc12 ZINC001207050174 1091829163 /nfs/dbraw/zinc/82/91/63/1091829163.db2.gz LMCFFRUFGCRSEA-UHFFFAOYSA-N 2 1 324.472 3.175 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4C)C[C@@H]3C2)cc1 ZINC001207149565 1091863871 /nfs/dbraw/zinc/86/38/71/1091863871.db2.gz UTWDNIZBFKQYKA-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4C)C[C@@H]3C2)cc1 ZINC001207149565 1091863875 /nfs/dbraw/zinc/86/38/75/1091863875.db2.gz UTWDNIZBFKQYKA-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4C)C[C@@H]3C2)cc1 ZINC001207149565 1091863883 /nfs/dbraw/zinc/86/38/83/1091863883.db2.gz UTWDNIZBFKQYKA-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4C)C[C@@H]3C2)cc1 ZINC001207149565 1091863891 /nfs/dbraw/zinc/86/38/91/1091863891.db2.gz UTWDNIZBFKQYKA-OYRHEFFESA-N 2 1 321.468 3.262 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2C1 ZINC001140435459 1091864447 /nfs/dbraw/zinc/86/44/47/1091864447.db2.gz QNFCFQSQSBITIW-OCCSQVGLSA-N 2 1 303.837 3.205 20 0 DGADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001207174127 1091873265 /nfs/dbraw/zinc/87/32/65/1091873265.db2.gz HJAUAUYNLFSKNT-IRXDYDNUSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001207174127 1091873270 /nfs/dbraw/zinc/87/32/70/1091873270.db2.gz HJAUAUYNLFSKNT-IRXDYDNUSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1nccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001207174127 1091873273 /nfs/dbraw/zinc/87/32/73/1091873273.db2.gz HJAUAUYNLFSKNT-IRXDYDNUSA-N 2 1 304.482 3.303 20 0 DGADMP CC(C)n1nccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001207174127 1091873276 /nfs/dbraw/zinc/87/32/76/1091873276.db2.gz HJAUAUYNLFSKNT-IRXDYDNUSA-N 2 1 304.482 3.303 20 0 DGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193129 1091883522 /nfs/dbraw/zinc/88/35/22/1091883522.db2.gz RSBGUBVBGOAYPK-ZBFHGGJFSA-N 2 1 301.821 3.198 20 0 DGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207193129 1091883528 /nfs/dbraw/zinc/88/35/28/1091883528.db2.gz RSBGUBVBGOAYPK-ZBFHGGJFSA-N 2 1 301.821 3.198 20 0 DGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207283967 1091910903 /nfs/dbraw/zinc/91/09/03/1091910903.db2.gz GFKXGZKYNRYTRJ-MRXNPFEDSA-N 2 1 321.484 3.092 20 0 DGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C[NH+](C)C ZINC001207281987 1091910945 /nfs/dbraw/zinc/91/09/45/1091910945.db2.gz BDWGHNZOFJAARP-IBGZPJMESA-N 2 1 317.521 3.028 20 0 DGADMP COC[C@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286932 1091912057 /nfs/dbraw/zinc/91/20/57/1091912057.db2.gz PJWVWGWALSCMOZ-LJQANCHMSA-N 2 1 302.462 3.009 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCCCC34COC4)CC2)cc1 ZINC001207290508 1091914285 /nfs/dbraw/zinc/91/42/85/1091914285.db2.gz CMXQYYZFTKTBPY-UHFFFAOYSA-N 2 1 314.473 3.154 20 0 DGADMP F[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001207289320 1091914485 /nfs/dbraw/zinc/91/44/85/1091914485.db2.gz KQDKHWWRLJRGGO-FHWLQOOXSA-N 2 1 302.437 3.188 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001207294275 1091916411 /nfs/dbraw/zinc/91/64/11/1091916411.db2.gz OXJLENPKCHXRLW-UHFFFAOYSA-N 2 1 321.468 3.352 20 0 DGADMP CO[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001207295451 1091916457 /nfs/dbraw/zinc/91/64/57/1091916457.db2.gz QUQJCVOMELDQKS-YLJYHZDGSA-N 2 1 316.489 3.398 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276522937 1091923385 /nfs/dbraw/zinc/92/33/85/1091923385.db2.gz SAHOENSECFJQKA-ARJAWSKDSA-N 2 1 302.466 3.054 20 0 DGADMP CC/C=C\CC[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001276526433 1091935839 /nfs/dbraw/zinc/93/58/39/1091935839.db2.gz RAIIMOOUUGBMOU-ZRHASKPBSA-N 2 1 316.493 3.027 20 0 DGADMP CC/C=C\CC[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001276526433 1091935843 /nfs/dbraw/zinc/93/58/43/1091935843.db2.gz RAIIMOOUUGBMOU-ZRHASKPBSA-N 2 1 316.493 3.027 20 0 DGADMP CC/C=C\CC[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276526530 1091937891 /nfs/dbraw/zinc/93/78/91/1091937891.db2.gz VCNAEFPDACRXAJ-WAYWQWQTSA-N 2 1 307.526 3.082 20 0 DGADMP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCOC2)CC1 ZINC001207468284 1091977080 /nfs/dbraw/zinc/97/70/80/1091977080.db2.gz DACLPACBBOOLJG-QGZVFWFLSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@H]2CCCOC2)CC1 ZINC001207468284 1091977088 /nfs/dbraw/zinc/97/70/88/1091977088.db2.gz DACLPACBBOOLJG-QGZVFWFLSA-N 2 1 320.452 3.149 20 0 DGADMP C[NH+]1CCC(CCN2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001207481680 1091982687 /nfs/dbraw/zinc/98/26/87/1091982687.db2.gz DGIATOAVQWPTTJ-UHFFFAOYSA-N 2 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(CC[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001207481680 1091982691 /nfs/dbraw/zinc/98/26/91/1091982691.db2.gz DGIATOAVQWPTTJ-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(CC[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001207481680 1091982700 /nfs/dbraw/zinc/98/27/00/1091982700.db2.gz DGIATOAVQWPTTJ-UHFFFAOYSA-N 3 1 319.537 3.059 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001207483206 1091982824 /nfs/dbraw/zinc/98/28/24/1091982824.db2.gz DZFRWPNQSNSBKG-GOSISDBHSA-N 2 1 306.425 3.011 20 0 DGADMP C[NH+]1CCC(CC[N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001207484409 1091983350 /nfs/dbraw/zinc/98/33/50/1091983350.db2.gz JVGAHYHJTWAYEL-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001207484409 1091983359 /nfs/dbraw/zinc/98/33/59/1091983359.db2.gz JVGAHYHJTWAYEL-UHFFFAOYSA-N 2 1 323.278 3.497 20 0 DGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001207483074 1091983635 /nfs/dbraw/zinc/98/36/35/1091983635.db2.gz CWHGBKUVOWOLDD-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487852 1091984592 /nfs/dbraw/zinc/98/45/92/1091984592.db2.gz UYJQRGAGYMJWAE-MRXNPFEDSA-N 2 1 304.478 3.290 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140802546 1092006348 /nfs/dbraw/zinc/00/63/48/1092006348.db2.gz YOZHEQZCHAOABL-GOSISDBHSA-N 2 1 315.417 3.118 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140802546 1092006360 /nfs/dbraw/zinc/00/63/60/1092006360.db2.gz YOZHEQZCHAOABL-GOSISDBHSA-N 2 1 315.417 3.118 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802546 1092006371 /nfs/dbraw/zinc/00/63/71/1092006371.db2.gz YOZHEQZCHAOABL-GOSISDBHSA-N 2 1 315.417 3.118 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802546 1092006383 /nfs/dbraw/zinc/00/63/83/1092006383.db2.gz YOZHEQZCHAOABL-GOSISDBHSA-N 2 1 315.417 3.118 20 0 DGADMP Cc1cccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806497 1092009720 /nfs/dbraw/zinc/00/97/20/1092009720.db2.gz KVPXFLLGQUBUGB-INIZCTEOSA-N 2 1 322.412 3.310 20 0 DGADMP Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806497 1092009729 /nfs/dbraw/zinc/00/97/29/1092009729.db2.gz KVPXFLLGQUBUGB-INIZCTEOSA-N 2 1 322.412 3.310 20 0 DGADMP CC1CCC([NH+]2CCN(Cc3c[nH]c4cc[nH+]cc34)CC2)CC1 ZINC001140803012 1092011077 /nfs/dbraw/zinc/01/10/77/1092011077.db2.gz JAJJMADZTYSURY-UHFFFAOYSA-N 2 1 312.461 3.259 20 0 DGADMP COc1cc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(F)c1 ZINC001140830296 1092021991 /nfs/dbraw/zinc/02/19/91/1092021991.db2.gz UJTRSQRDFJIOOP-UHFFFAOYSA-N 2 1 324.415 3.281 20 0 DGADMP COc1ccc(CCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001207584713 1092029960 /nfs/dbraw/zinc/02/99/60/1092029960.db2.gz GUZWOOCFKHLVFY-UHFFFAOYSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccc(CCC[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001207585850 1092031732 /nfs/dbraw/zinc/03/17/32/1092031732.db2.gz QJNLNXHWOQSXRF-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP COc1ccc(CCC[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001207585850 1092031742 /nfs/dbraw/zinc/03/17/42/1092031742.db2.gz QJNLNXHWOQSXRF-UHFFFAOYSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CCN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001207641162 1092055947 /nfs/dbraw/zinc/05/59/47/1092055947.db2.gz YUVQBKDLECDACA-KRWDZBQOSA-N 2 1 322.537 3.372 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001207641162 1092055956 /nfs/dbraw/zinc/05/59/56/1092055956.db2.gz YUVQBKDLECDACA-KRWDZBQOSA-N 2 1 322.537 3.372 20 0 DGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001207641162 1092055968 /nfs/dbraw/zinc/05/59/68/1092055968.db2.gz YUVQBKDLECDACA-KRWDZBQOSA-N 2 1 322.537 3.372 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001140963599 1092085444 /nfs/dbraw/zinc/08/54/44/1092085444.db2.gz ZQZTYYAWLRADQD-UHFFFAOYSA-N 2 1 316.367 3.420 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001140963599 1092085450 /nfs/dbraw/zinc/08/54/50/1092085450.db2.gz ZQZTYYAWLRADQD-UHFFFAOYSA-N 2 1 316.367 3.420 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140970312 1092088495 /nfs/dbraw/zinc/08/84/95/1092088495.db2.gz GSCVBFNOXZLSLJ-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP CC[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001140971212 1092089942 /nfs/dbraw/zinc/08/99/42/1092089942.db2.gz LPKYIPSIGMGQHL-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP Cc1cccc(C[N@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140969214 1092089983 /nfs/dbraw/zinc/08/99/83/1092089983.db2.gz ZFALOTSQPBATAY-UHFFFAOYSA-N 2 1 323.484 3.379 20 0 DGADMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975820 1092091487 /nfs/dbraw/zinc/09/14/87/1092091487.db2.gz WDLDRKBTDRVHSB-SFHVURJKSA-N 2 1 301.478 3.059 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+][C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207769202 1092094903 /nfs/dbraw/zinc/09/49/03/1092094903.db2.gz ZSZVFBVKAPLJPF-WCIQWLHISA-N 2 1 314.473 3.056 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4ccccn4)s3)C[C@@H]2C1 ZINC001141005970 1092104735 /nfs/dbraw/zinc/10/47/35/1092104735.db2.gz YPTCEFHYWONWSD-GJZGRUSLSA-N 2 1 313.470 3.194 20 0 DGADMP CC1(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC001207799537 1092104849 /nfs/dbraw/zinc/10/48/49/1092104849.db2.gz AQEKVOFLACXMMD-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC001207799537 1092104854 /nfs/dbraw/zinc/10/48/54/1092104854.db2.gz AQEKVOFLACXMMD-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC001207799537 1092104856 /nfs/dbraw/zinc/10/48/56/1092104856.db2.gz AQEKVOFLACXMMD-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545559 1092106040 /nfs/dbraw/zinc/10/60/40/1092106040.db2.gz WWKOINSYLRBHKV-IBGZPJMESA-N 2 1 317.477 3.188 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001207843854 1092117091 /nfs/dbraw/zinc/11/70/91/1092117091.db2.gz HFRASIMYFZMWFC-DPDLHNOKSA-N 2 1 323.484 3.486 20 0 DGADMP CCCCc1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)[nH]1 ZINC001141070524 1092125901 /nfs/dbraw/zinc/12/59/01/1092125901.db2.gz YAPOASNFJVLYAB-UHFFFAOYSA-N 2 1 306.498 3.305 20 0 DGADMP CCCCc1nc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c[nH]1 ZINC001141070524 1092125904 /nfs/dbraw/zinc/12/59/04/1092125904.db2.gz YAPOASNFJVLYAB-UHFFFAOYSA-N 2 1 306.498 3.305 20 0 DGADMP CCCCc1nc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c[nH]1 ZINC001141070524 1092125910 /nfs/dbraw/zinc/12/59/10/1092125910.db2.gz YAPOASNFJVLYAB-UHFFFAOYSA-N 2 1 306.498 3.305 20 0 DGADMP c1nc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131909 1092146784 /nfs/dbraw/zinc/14/67/84/1092146784.db2.gz OLGZABFLJRTRGT-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131909 1092146788 /nfs/dbraw/zinc/14/67/88/1092146788.db2.gz OLGZABFLJRTRGT-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131909 1092146795 /nfs/dbraw/zinc/14/67/95/1092146795.db2.gz OLGZABFLJRTRGT-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP c1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001141131909 1092146801 /nfs/dbraw/zinc/14/68/01/1092146801.db2.gz OLGZABFLJRTRGT-MSOLQXFVSA-N 2 1 311.429 3.019 20 0 DGADMP COc1ccc2nccc(C[N@H+](C)CCC[NH+]3CCCC3)c2c1 ZINC001141148950 1092151964 /nfs/dbraw/zinc/15/19/64/1092151964.db2.gz BKEVYUVWPKELKC-UHFFFAOYSA-N 2 1 313.445 3.161 20 0 DGADMP COc1ccc2nccc(C[N@@H+](C)CCC[NH+]3CCCC3)c2c1 ZINC001141148950 1092151966 /nfs/dbraw/zinc/15/19/66/1092151966.db2.gz BKEVYUVWPKELKC-UHFFFAOYSA-N 2 1 313.445 3.161 20 0 DGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC001207962285 1092160959 /nfs/dbraw/zinc/16/09/59/1092160959.db2.gz LLGNNQLJEVLXAW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC001207962285 1092160964 /nfs/dbraw/zinc/16/09/64/1092160964.db2.gz LLGNNQLJEVLXAW-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCOCC1 ZINC001207967289 1092163911 /nfs/dbraw/zinc/16/39/11/1092163911.db2.gz MOFFBFNGGBJDHA-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP CCc1ccccc1C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001141228814 1092185767 /nfs/dbraw/zinc/18/57/67/1092185767.db2.gz ISQJKOLPRULRAV-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001208105741 1092196701 /nfs/dbraw/zinc/19/67/01/1092196701.db2.gz BBMDYNTVRGLZEG-OAHLLOKOSA-N 2 1 324.415 3.150 20 0 DGADMP COc1ccc2c(c1)CC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208184123 1092249579 /nfs/dbraw/zinc/24/95/79/1092249579.db2.gz JOLYOTKGKDWCRY-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP COc1ccc2c(c1)CC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208184123 1092249588 /nfs/dbraw/zinc/24/95/88/1092249588.db2.gz JOLYOTKGKDWCRY-UHFFFAOYSA-N 2 1 302.462 3.175 20 0 DGADMP CCC[N@@H+](CCc1ccccn1)CC1(C[NH+](C)C)CCCC1 ZINC001208185681 1092249736 /nfs/dbraw/zinc/24/97/36/1092249736.db2.gz HOQHBTPNVCEPQE-UHFFFAOYSA-N 2 1 303.494 3.458 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C2)C1 ZINC001141590598 1092285398 /nfs/dbraw/zinc/28/53/98/1092285398.db2.gz GJOHZWSWTHUXEM-QGZVFWFLSA-N 2 1 303.837 3.349 20 0 DGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459716 1092358992 /nfs/dbraw/zinc/35/89/92/1092358992.db2.gz HLPSUFBEUSFVQU-MRXNPFEDSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)ccc1C[NH+](C)C ZINC001142009951 1092385836 /nfs/dbraw/zinc/38/58/36/1092385836.db2.gz CEPKSKIWBPVSJO-GOSISDBHSA-N 2 1 317.477 3.116 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001208583612 1092409365 /nfs/dbraw/zinc/40/93/65/1092409365.db2.gz BOKBJZKOIUHEAA-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208583612 1092409372 /nfs/dbraw/zinc/40/93/72/1092409372.db2.gz BOKBJZKOIUHEAA-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208583612 1092409377 /nfs/dbraw/zinc/40/93/77/1092409377.db2.gz BOKBJZKOIUHEAA-NLWGTHIKSA-N 2 1 315.505 3.066 20 0 DGADMP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208587967 1092411120 /nfs/dbraw/zinc/41/11/20/1092411120.db2.gz BQYBFDKXARVPGF-UXHICEINSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208587969 1092411477 /nfs/dbraw/zinc/41/14/77/1092411477.db2.gz BQYBFDKXARVPGF-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CN(CC[NH+]1CCCC1)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208591606 1092416159 /nfs/dbraw/zinc/41/61/59/1092416159.db2.gz LSRZKZLYKIGWHZ-HXUWFJFHSA-N 2 1 315.505 3.069 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)CCCc2cccc(OC)c2)CC1 ZINC001208599851 1092420457 /nfs/dbraw/zinc/42/04/57/1092420457.db2.gz DDNVVBYJTOIIDA-UHFFFAOYSA-N 2 1 304.478 3.292 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC001208609063 1092423542 /nfs/dbraw/zinc/42/35/42/1092423542.db2.gz UHAAVROAMYXINO-QGZVFWFLSA-N 2 1 320.452 3.149 20 0 DGADMP COc1ccccc1CC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208607044 1092425735 /nfs/dbraw/zinc/42/57/35/1092425735.db2.gz IAVFWHHFOVZRHW-SFHVURJKSA-N 2 1 316.489 3.292 20 0 DGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCCO2 ZINC001142274000 1092456295 /nfs/dbraw/zinc/45/62/95/1092456295.db2.gz MFSBKEBKZRIDOK-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCCO2 ZINC001142274000 1092456302 /nfs/dbraw/zinc/45/63/02/1092456302.db2.gz MFSBKEBKZRIDOK-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP C(C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1)C1CCCC1 ZINC001208695322 1092462580 /nfs/dbraw/zinc/46/25/80/1092462580.db2.gz MQTHMALNUQYXTC-WOJBJXKFSA-N 2 1 320.521 3.390 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccccc1)c1ccncc1)C2 ZINC001169094953 1092523752 /nfs/dbraw/zinc/52/37/52/1092523752.db2.gz NZHJCNIEOOONFY-HAGHYFMRSA-N 2 1 307.441 3.386 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2[nH]cnc21 ZINC001142689978 1092530475 /nfs/dbraw/zinc/53/04/75/1092530475.db2.gz PAYOBGQGWHOMEA-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]cnc21 ZINC001142689978 1092530490 /nfs/dbraw/zinc/53/04/90/1092530490.db2.gz PAYOBGQGWHOMEA-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2[nH]cnc21 ZINC001142689978 1092530501 /nfs/dbraw/zinc/53/05/01/1092530501.db2.gz PAYOBGQGWHOMEA-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2nc[nH]c21 ZINC001142689978 1092530512 /nfs/dbraw/zinc/53/05/12/1092530512.db2.gz PAYOBGQGWHOMEA-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2nc[nH]c21 ZINC001142689978 1092530526 /nfs/dbraw/zinc/53/05/26/1092530526.db2.gz PAYOBGQGWHOMEA-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2nc[nH]c21 ZINC001142689978 1092530540 /nfs/dbraw/zinc/53/05/40/1092530540.db2.gz PAYOBGQGWHOMEA-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2nc[nH]c21 ZINC001142689978 1092530552 /nfs/dbraw/zinc/53/05/52/1092530552.db2.gz PAYOBGQGWHOMEA-DLBZAZTESA-N 2 1 312.461 3.402 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3c3c1CC[C@H]([NH3+])C3)C2 ZINC001169100524 1092530814 /nfs/dbraw/zinc/53/08/14/1092530814.db2.gz KLDQFGBPXOIPOX-JONQDZQNSA-N 2 1 309.457 3.255 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)c1)C2 ZINC001169101666 1092532183 /nfs/dbraw/zinc/53/21/83/1092532183.db2.gz UXFRJSLZTVDTLC-MUJYYYPQSA-N 2 1 312.379 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC001169089634 1092537464 /nfs/dbraw/zinc/53/74/64/1092537464.db2.gz FAQSJDIMLVWYMQ-QKDCVEJESA-N 2 1 309.251 3.164 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccc(F)cc3)CC1)C2 ZINC001169117343 1092542882 /nfs/dbraw/zinc/54/28/82/1092542882.db2.gz YTNOLOAMPJWIAI-BCDXTJNWSA-N 2 1 302.437 3.363 20 0 DGADMP Oc1cccnc1CN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276594095 1092544351 /nfs/dbraw/zinc/54/43/51/1092544351.db2.gz QCBSCZOJXOCFBH-IBGZPJMESA-N 2 1 315.461 3.018 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125871 1092546478 /nfs/dbraw/zinc/54/64/78/1092546478.db2.gz MVGMJQLVDWOFBX-MWDXBVQZSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125871 1092546491 /nfs/dbraw/zinc/54/64/91/1092546491.db2.gz MVGMJQLVDWOFBX-MWDXBVQZSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccccc1[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125871 1092546503 /nfs/dbraw/zinc/54/65/03/1092546503.db2.gz MVGMJQLVDWOFBX-MWDXBVQZSA-N 2 1 300.446 3.110 20 0 DGADMP Cc1ccc2c(c1)c1c(n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]C1 ZINC001169139311 1092550701 /nfs/dbraw/zinc/55/07/01/1092550701.db2.gz BBSYMECBGYHCTQ-MUJYYYPQSA-N 2 1 309.457 3.393 20 0 DGADMP CCCNc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169138714 1092552404 /nfs/dbraw/zinc/55/24/04/1092552404.db2.gz UBUKVRUKVFXCJO-GUYCJALGSA-N 2 1 305.470 3.254 20 0 DGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154509 1092567102 /nfs/dbraw/zinc/56/71/02/1092567102.db2.gz RJKPSWWRSVXFME-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CCc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154509 1092567112 /nfs/dbraw/zinc/56/71/12/1092567112.db2.gz RJKPSWWRSVXFME-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP CC[NH+](CCc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154509 1092567125 /nfs/dbraw/zinc/56/71/25/1092567125.db2.gz RJKPSWWRSVXFME-PIIMJCKOSA-N 2 1 302.462 3.185 20 0 DGADMP C[C@H](CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888266 1092569363 /nfs/dbraw/zinc/56/93/63/1092569363.db2.gz OXNKQKBEQAWZFY-UPJWGTAASA-N 2 1 318.408 3.310 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888266 1092569390 /nfs/dbraw/zinc/56/93/90/1092569390.db2.gz OXNKQKBEQAWZFY-UPJWGTAASA-N 2 1 318.408 3.310 20 0 DGADMP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888266 1092569400 /nfs/dbraw/zinc/56/94/00/1092569400.db2.gz OXNKQKBEQAWZFY-UPJWGTAASA-N 2 1 318.408 3.310 20 0 DGADMP C[C@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888266 1092569410 /nfs/dbraw/zinc/56/94/10/1092569410.db2.gz OXNKQKBEQAWZFY-UPJWGTAASA-N 2 1 318.408 3.310 20 0 DGADMP C[C@H](C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1)C(F)(F)F ZINC001208888266 1092569418 /nfs/dbraw/zinc/56/94/18/1092569418.db2.gz OXNKQKBEQAWZFY-UPJWGTAASA-N 2 1 318.408 3.310 20 0 DGADMP CC[N@@H+](CC1CCN(c2ccccc2)CC1)C1CCN(C)CC1 ZINC001208915103 1092583588 /nfs/dbraw/zinc/58/35/88/1092583588.db2.gz XUKRFJNYKZVWJD-UHFFFAOYSA-N 2 1 315.505 3.319 20 0 DGADMP C[NH+](CCc1ccccn1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927728 1092590509 /nfs/dbraw/zinc/59/05/09/1092590509.db2.gz DLRMJBVQCPQUFV-HXUWFJFHSA-N 2 1 323.484 3.468 20 0 DGADMP COCC[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208931533 1092592008 /nfs/dbraw/zinc/59/20/08/1092592008.db2.gz AAYPFNJZQJXLNO-IBGZPJMESA-N 2 1 304.478 3.255 20 0 DGADMP COCC[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208931533 1092592014 /nfs/dbraw/zinc/59/20/14/1092592014.db2.gz AAYPFNJZQJXLNO-IBGZPJMESA-N 2 1 304.478 3.255 20 0 DGADMP COCC[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208931533 1092592020 /nfs/dbraw/zinc/59/20/20/1092592020.db2.gz AAYPFNJZQJXLNO-IBGZPJMESA-N 2 1 304.478 3.255 20 0 DGADMP COCC[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208931533 1092592025 /nfs/dbraw/zinc/59/20/25/1092592025.db2.gz AAYPFNJZQJXLNO-IBGZPJMESA-N 2 1 304.478 3.255 20 0 DGADMP COC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933889 1092595142 /nfs/dbraw/zinc/59/51/42/1092595142.db2.gz WQTAWNDEWYHDFP-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933889 1092595147 /nfs/dbraw/zinc/59/51/47/1092595147.db2.gz WQTAWNDEWYHDFP-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933889 1092595151 /nfs/dbraw/zinc/59/51/51/1092595151.db2.gz WQTAWNDEWYHDFP-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COC[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933889 1092595159 /nfs/dbraw/zinc/59/51/59/1092595159.db2.gz WQTAWNDEWYHDFP-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP COC1(C)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932313 1092597690 /nfs/dbraw/zinc/59/76/90/1092597690.db2.gz OLPFXGUAJOXXHJ-LJQANCHMSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938401 1092599225 /nfs/dbraw/zinc/59/92/25/1092599225.db2.gz BXZTVVMKMNQBLM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938401 1092599234 /nfs/dbraw/zinc/59/92/34/1092599234.db2.gz BXZTVVMKMNQBLM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938401 1092599245 /nfs/dbraw/zinc/59/92/45/1092599245.db2.gz BXZTVVMKMNQBLM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)(O)[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938401 1092599253 /nfs/dbraw/zinc/59/92/53/1092599253.db2.gz BXZTVVMKMNQBLM-RBUKOAKNSA-N 2 1 316.489 3.134 20 0 DGADMP FC1(F)C[C@H]2C[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208940565 1092601822 /nfs/dbraw/zinc/60/18/22/1092601822.db2.gz DRFPSHJTNYADHA-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208940565 1092601831 /nfs/dbraw/zinc/60/18/31/1092601831.db2.gz DRFPSHJTNYADHA-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP FC1(F)C[C@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208940565 1092601837 /nfs/dbraw/zinc/60/18/37/1092601837.db2.gz DRFPSHJTNYADHA-KURKYZTESA-N 2 1 320.427 3.486 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC001208947776 1092605509 /nfs/dbraw/zinc/60/55/09/1092605509.db2.gz CWWDHAUUGQGRBI-FPOVZHCZSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC001208947776 1092605512 /nfs/dbraw/zinc/60/55/12/1092605512.db2.gz CWWDHAUUGQGRBI-FPOVZHCZSA-N 2 1 321.468 3.393 20 0 DGADMP COc1c(C)cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001276602421 1092605746 /nfs/dbraw/zinc/60/57/46/1092605746.db2.gz YEPMGADTKDFTPD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1c(C)cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC001276602421 1092605761 /nfs/dbraw/zinc/60/57/61/1092605761.db2.gz YEPMGADTKDFTPD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP COc1c(C)cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001276602421 1092605764 /nfs/dbraw/zinc/60/57/64/1092605764.db2.gz YEPMGADTKDFTPD-LJQANCHMSA-N 2 1 302.462 3.230 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169264187 1092607254 /nfs/dbraw/zinc/60/72/54/1092607254.db2.gz IYAORTINVDUZHK-SFHVURJKSA-N 2 1 316.445 3.094 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169264187 1092607258 /nfs/dbraw/zinc/60/72/58/1092607258.db2.gz IYAORTINVDUZHK-SFHVURJKSA-N 2 1 316.445 3.094 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001169264080 1092607563 /nfs/dbraw/zinc/60/75/63/1092607563.db2.gz HDDDHUCEUPIKIG-GOSISDBHSA-N 2 1 316.445 3.094 20 0 DGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001169264080 1092607568 /nfs/dbraw/zinc/60/75/68/1092607568.db2.gz HDDDHUCEUPIKIG-GOSISDBHSA-N 2 1 316.445 3.094 20 0 DGADMP CCOCC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952775 1092608751 /nfs/dbraw/zinc/60/87/51/1092608751.db2.gz LHUVBTYAMQOVFJ-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP FC(F)(F)[C@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949210 1092609534 /nfs/dbraw/zinc/60/95/34/1092609534.db2.gz IZYRKAIYURSIDY-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949210 1092609540 /nfs/dbraw/zinc/60/95/40/1092609540.db2.gz IZYRKAIYURSIDY-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949210 1092609544 /nfs/dbraw/zinc/60/95/44/1092609544.db2.gz IZYRKAIYURSIDY-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949210 1092609548 /nfs/dbraw/zinc/60/95/48/1092609548.db2.gz IZYRKAIYURSIDY-HOTGVXAUSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)[C@@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)C1CCC1 ZINC001169287834 1092629513 /nfs/dbraw/zinc/62/95/13/1092629513.db2.gz VCMMOPVPZADCCI-HNNXBMFYSA-N 2 1 324.350 3.164 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2scc3c2OCCO3)CC1 ZINC001143187434 1092629775 /nfs/dbraw/zinc/62/97/75/1092629775.db2.gz RMIJDHIHEVTDFI-UHFFFAOYSA-N 2 1 324.490 3.072 20 0 DGADMP CCOC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209076515 1092643252 /nfs/dbraw/zinc/64/32/52/1092643252.db2.gz MZPJXPBSXVNJLM-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209076515 1092643255 /nfs/dbraw/zinc/64/32/55/1092643255.db2.gz MZPJXPBSXVNJLM-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP CCOC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209076515 1092643258 /nfs/dbraw/zinc/64/32/58/1092643258.db2.gz MZPJXPBSXVNJLM-RTBURBONSA-N 2 1 316.489 3.255 20 0 DGADMP c1cncc(CCC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001209175497 1092681312 /nfs/dbraw/zinc/68/13/12/1092681312.db2.gz AHXVEAUIUIFDBK-IBGZPJMESA-N 2 1 301.478 3.355 20 0 DGADMP c1cc(CCC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccn1 ZINC001209188280 1092685691 /nfs/dbraw/zinc/68/56/91/1092685691.db2.gz GZKSMMKOSMBMPL-IBGZPJMESA-N 2 1 301.478 3.355 20 0 DGADMP CCC[N@@H+](CCCCCCC(=O)OCC)CCC[NH+](C)C ZINC001209355189 1092743155 /nfs/dbraw/zinc/74/31/55/1092743155.db2.gz RRTKBIINGDHYNQ-UHFFFAOYSA-N 2 1 300.487 3.164 20 0 DGADMP c1csc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001209221656 1092700511 /nfs/dbraw/zinc/70/05/11/1092700511.db2.gz DWINCBWLHOULEQ-GASCZTMLSA-N 2 1 318.511 3.416 20 0 DGADMP c1csc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001209221656 1092700519 /nfs/dbraw/zinc/70/05/19/1092700519.db2.gz DWINCBWLHOULEQ-GASCZTMLSA-N 2 1 318.511 3.416 20 0 DGADMP c1csc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001209221656 1092700528 /nfs/dbraw/zinc/70/05/28/1092700528.db2.gz DWINCBWLHOULEQ-GASCZTMLSA-N 2 1 318.511 3.416 20 0 DGADMP c1csc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001209221656 1092700537 /nfs/dbraw/zinc/70/05/37/1092700537.db2.gz DWINCBWLHOULEQ-GASCZTMLSA-N 2 1 318.511 3.416 20 0 DGADMP COCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209223823 1092701410 /nfs/dbraw/zinc/70/14/10/1092701410.db2.gz PGOHZBJXDWGAQC-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209223823 1092701418 /nfs/dbraw/zinc/70/14/18/1092701418.db2.gz PGOHZBJXDWGAQC-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP COCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209223823 1092701428 /nfs/dbraw/zinc/70/14/28/1092701428.db2.gz PGOHZBJXDWGAQC-UXHICEINSA-N 2 1 316.489 3.257 20 0 DGADMP COc1ccc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276626424 1092708557 /nfs/dbraw/zinc/70/85/57/1092708557.db2.gz VOKNEPNCRGTQTC-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP CC[NH+]1CCC([N@H+](C)CCCCOCc2ccccc2)CC1 ZINC001209259478 1092716563 /nfs/dbraw/zinc/71/65/63/1092716563.db2.gz XXWOUWPIXAHKFF-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)CCCCOCc2ccccc2)CC1 ZINC001209259478 1092716568 /nfs/dbraw/zinc/71/65/68/1092716568.db2.gz XXWOUWPIXAHKFF-UHFFFAOYSA-N 2 1 304.478 3.400 20 0 DGADMP Cc1nccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001276630143 1092726322 /nfs/dbraw/zinc/72/63/22/1092726322.db2.gz UYYOCIPQGYMOPZ-UHFFFAOYSA-N 2 1 314.477 3.016 20 0 DGADMP CC/C=C\CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001209288459 1092726417 /nfs/dbraw/zinc/72/64/17/1092726417.db2.gz JSQGLBJEUFDPOU-OOFWQKGWSA-N 2 1 323.525 3.045 20 0 DGADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001209288459 1092726423 /nfs/dbraw/zinc/72/64/23/1092726423.db2.gz JSQGLBJEUFDPOU-OOFWQKGWSA-N 2 1 323.525 3.045 20 0 DGADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209418581 1092767713 /nfs/dbraw/zinc/76/77/13/1092767713.db2.gz ZVMBDUABSHBHCZ-WMZOPIPTSA-N 2 1 313.489 3.414 20 0 DGADMP CC(C)OCC[NH+](CCC[NH+]1CCCCC1)CCOC(C)C ZINC001209448578 1092778758 /nfs/dbraw/zinc/77/87/58/1092778758.db2.gz CXQLHDMHXPNDBY-UHFFFAOYSA-N 2 1 314.514 3.014 20 0 DGADMP CSc1cc(C)c(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276653333 1092816869 /nfs/dbraw/zinc/81/68/69/1092816869.db2.gz VDRVZTMAZZRXBV-SFHVURJKSA-N 2 1 319.518 3.420 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(-c3cccs3)n2)C1 ZINC001206640456 1092890627 /nfs/dbraw/zinc/89/06/27/1092890627.db2.gz JVLWWPYXLILGGQ-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP Cn1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c2cccnc21 ZINC001209753439 1092905910 /nfs/dbraw/zinc/90/59/10/1092905910.db2.gz REZWCUSGAIPZKV-UHFFFAOYSA-N 2 1 312.461 3.024 20 0 DGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209953833 1092992943 /nfs/dbraw/zinc/99/29/43/1092992943.db2.gz VMUAXSUYLUTYMB-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276726236 1094018333 /nfs/dbraw/zinc/01/83/33/1094018333.db2.gz GZTZVDWDARDEIP-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276726236 1094018340 /nfs/dbraw/zinc/01/83/40/1094018340.db2.gz GZTZVDWDARDEIP-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001276726236 1094018347 /nfs/dbraw/zinc/01/83/47/1094018347.db2.gz GZTZVDWDARDEIP-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001276726236 1094018350 /nfs/dbraw/zinc/01/83/50/1094018350.db2.gz GZTZVDWDARDEIP-LJQANCHMSA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2[nH+]ccc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC001119958747 1094322630 /nfs/dbraw/zinc/32/26/30/1094322630.db2.gz JFCCCDKPSSVAKE-LJQANCHMSA-N 2 1 311.429 3.166 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cnc1Cl ZINC001119989594 1094336349 /nfs/dbraw/zinc/33/63/49/1094336349.db2.gz QHKVIIDKYLAVFO-HRCADAONSA-N 2 1 307.869 3.206 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)C[C@H]2C1 ZINC001120070984 1094370617 /nfs/dbraw/zinc/37/06/17/1094370617.db2.gz DZQSYHCKDHHJMG-IPMKNSEASA-N 2 1 312.457 3.125 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ccc(-c4ccccc4)n3)C[C@H]2C1 ZINC001120255214 1094397322 /nfs/dbraw/zinc/39/73/22/1094397322.db2.gz AZAOPYWXXQTTIJ-IPMKNSEASA-N 2 1 324.472 3.170 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001276755364 1094404742 /nfs/dbraw/zinc/40/47/42/1094404742.db2.gz FZEIFDUMCVJXCP-CALCHBBNSA-N 2 1 317.477 3.378 20 0 DGADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001276755364 1094404744 /nfs/dbraw/zinc/40/47/44/1094404744.db2.gz FZEIFDUMCVJXCP-CALCHBBNSA-N 2 1 317.477 3.378 20 0 DGADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001276755364 1094404746 /nfs/dbraw/zinc/40/47/46/1094404746.db2.gz FZEIFDUMCVJXCP-CALCHBBNSA-N 2 1 317.477 3.378 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC001120466308 1094434003 /nfs/dbraw/zinc/43/40/03/1094434003.db2.gz BXAHHSZYLXBFKO-FQEVSTJZSA-N 2 1 321.424 3.312 20 0 DGADMP [NH3+]CCC[C@H]([NH3+])c1nnc(-c2cccc(Oc3ccccc3)c2)o1 ZINC001217695371 1094473594 /nfs/dbraw/zinc/47/35/94/1094473594.db2.gz ISGJFZYLIOOKNZ-INIZCTEOSA-N 2 1 324.384 3.268 20 0 DGADMP CCCCOc1ccc(-c2nnc([C@H]([NH3+])CCCC[NH3+])o2)cc1 ZINC001217698458 1094475682 /nfs/dbraw/zinc/47/56/82/1094475682.db2.gz DCVKXIYHAMZRQU-OAHLLOKOSA-N 2 1 318.421 3.044 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217769158 1094492366 /nfs/dbraw/zinc/49/23/66/1094492366.db2.gz MONYVXYQASLPBP-WSTZPKSXSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217769156 1094493009 /nfs/dbraw/zinc/49/30/09/1094493009.db2.gz MONYVXYQASLPBP-HBFSDRIKSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823017 1094500455 /nfs/dbraw/zinc/50/04/55/1094500455.db2.gz KBMQUSCSZYZOHI-AZUAARDMSA-N 2 1 316.489 3.447 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217823022 1094500481 /nfs/dbraw/zinc/50/04/81/1094500481.db2.gz KCRSBIROQDZAEM-HXUWFJFHSA-N 2 1 316.489 3.447 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](OCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217823499 1094500610 /nfs/dbraw/zinc/50/06/10/1094500610.db2.gz YYVQCNQFTLSHSM-IEBWSBKVSA-N 2 1 302.462 3.057 20 0 DGADMP [NH3+][C@H]1CC[C@H](CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001217912301 1094515946 /nfs/dbraw/zinc/51/59/46/1094515946.db2.gz UUNINVFLBYMWOK-KBAYOESNSA-N 2 1 322.880 3.448 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc[nH+]c(N)n2)cc1 ZINC001120804451 1094528009 /nfs/dbraw/zinc/52/80/09/1094528009.db2.gz JWQSNNUPJKUASM-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]c(N)n2)cc1 ZINC001120804451 1094528018 /nfs/dbraw/zinc/52/80/18/1094528018.db2.gz JWQSNNUPJKUASM-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP CC[C@@]1(c2cccc(O[C@H]3C[NH2+]C[C@H]3C)c2)CCCC[N@@H+](C)C1 ZINC001217968824 1094533963 /nfs/dbraw/zinc/53/39/63/1094533963.db2.gz TZBPLVGHAPVSAH-LSTHTHJFSA-N 2 1 316.489 3.437 20 0 DGADMP CC[C@]1(c2cccc(O[C@@H]3C[NH2+]C[C@@H]3F)c2)CCCC[N@@H+](C)C1 ZINC001217998493 1094551231 /nfs/dbraw/zinc/55/12/31/1094551231.db2.gz SGHCJDNLRDUWKL-OTWHNJEPSA-N 2 1 320.452 3.139 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135861635 1094722246 /nfs/dbraw/zinc/72/22/46/1094722246.db2.gz UXTRLOALNIYWQG-HOTGVXAUSA-N 2 1 313.530 3.027 20 0 DGADMP CC[C@]1(c2cccc(O[C@H]3C=CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218335800 1094725840 /nfs/dbraw/zinc/72/58/40/1094725840.db2.gz YAJSBOWGJCNZNA-PMACEKPBSA-N 2 1 314.473 3.357 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](Oc2ccc3c(c2)C(C)(C)C[NH2+]CC3)C1 ZINC001218348420 1094729789 /nfs/dbraw/zinc/72/97/89/1094729789.db2.gz PMUXGJMDVCAKDM-SFHVURJKSA-N 2 1 316.489 3.362 20 0 DGADMP [NH3+]Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001218410735 1094761033 /nfs/dbraw/zinc/76/10/33/1094761033.db2.gz MBDHYLBEHLFEIM-SFHVURJKSA-N 2 1 316.832 3.452 20 0 DGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878895 1094796909 /nfs/dbraw/zinc/79/69/09/1094796909.db2.gz SOLIYDKAWXSTMO-CVEARBPZSA-N 2 1 322.497 3.071 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)C[C@H]2CC1 ZINC001276796671 1094884543 /nfs/dbraw/zinc/88/45/43/1094884543.db2.gz VVEBGASHNAXWTB-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c[nH]c4ccc(F)cc34)C[C@H]2CC1 ZINC001276796671 1094884561 /nfs/dbraw/zinc/88/45/61/1094884561.db2.gz VVEBGASHNAXWTB-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c[nH]c4ccc(F)cc34)C[C@H]2CC1 ZINC001276796671 1094884581 /nfs/dbraw/zinc/88/45/81/1094884581.db2.gz VVEBGASHNAXWTB-OKILXGFUSA-N 2 1 301.409 3.081 20 0 DGADMP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972237 1094917594 /nfs/dbraw/zinc/91/75/94/1094917594.db2.gz KTQDVLDBHAXSID-UHFFFAOYSA-N 2 1 317.477 3.475 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941394 1094974225 /nfs/dbraw/zinc/97/42/25/1094974225.db2.gz DKRRODDEFHKBDX-QAPCUYQASA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941394 1094974234 /nfs/dbraw/zinc/97/42/34/1094974234.db2.gz DKRRODDEFHKBDX-QAPCUYQASA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170941394 1094974240 /nfs/dbraw/zinc/97/42/40/1094974240.db2.gz DKRRODDEFHKBDX-QAPCUYQASA-N 2 1 304.865 3.225 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000314325488 1095045227 /nfs/dbraw/zinc/04/52/27/1095045227.db2.gz ZDXWKSFRESTMMP-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000314325488 1095045242 /nfs/dbraw/zinc/04/52/42/1095045242.db2.gz ZDXWKSFRESTMMP-CYBMUJFWSA-N 2 1 303.837 3.449 20 0 DGADMP CC(C)n1ccn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001337804738 1095101429 /nfs/dbraw/zinc/10/14/29/1095101429.db2.gz FVUZYWKSSODLOG-XHSDSOJGSA-N 2 1 322.522 3.220 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246231070 1095121229 /nfs/dbraw/zinc/12/12/29/1095121229.db2.gz NYLIHKLEHJXBHG-YPMHNXCESA-N 2 1 302.796 3.105 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246290751 1095171318 /nfs/dbraw/zinc/17/13/18/1095171318.db2.gz YXICZIGXEUEZAL-SMDDNHRTSA-N 2 1 309.251 3.168 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]2C1 ZINC001171047074 1095186164 /nfs/dbraw/zinc/18/61/64/1095186164.db2.gz XUHKYNHJFDJUQP-OWCLPIDISA-N 2 1 304.865 3.081 20 0 DGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818642 1095195771 /nfs/dbraw/zinc/19/57/71/1095195771.db2.gz GOLRFKXQGCUFCK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818642 1095195779 /nfs/dbraw/zinc/19/57/79/1095195779.db2.gz GOLRFKXQGCUFCK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818642 1095195786 /nfs/dbraw/zinc/19/57/86/1095195786.db2.gz GOLRFKXQGCUFCK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c3ccoc31)C2 ZINC001276818642 1095195793 /nfs/dbraw/zinc/19/57/93/1095195793.db2.gz GOLRFKXQGCUFCK-SFHVURJKSA-N 2 1 302.393 3.490 20 0 DGADMP CC(C)[PH+](CCNC(=O)c1cnc([C@H](C)[NH3+])s1)C(C)C ZINC001221256768 1095225422 /nfs/dbraw/zinc/22/54/22/1095225422.db2.gz LLDPMAWRHAOACZ-NSHDSACASA-N 2 1 315.423 3.191 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)F)cc1 ZINC001136941662 1095246342 /nfs/dbraw/zinc/24/63/42/1095246342.db2.gz AKPIOEKQGFQNOY-UHFFFAOYSA-N 2 1 314.420 3.494 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960823 1095409666 /nfs/dbraw/zinc/40/96/66/1095409666.db2.gz HZMGRKKUPGXAJX-YZGWKJHDSA-N 2 1 314.473 3.152 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000420960823 1095409672 /nfs/dbraw/zinc/40/96/72/1095409672.db2.gz HZMGRKKUPGXAJX-YZGWKJHDSA-N 2 1 314.473 3.152 20 0 DGADMP COc1c(F)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1Cl ZINC001143854562 1095413100 /nfs/dbraw/zinc/41/31/00/1095413100.db2.gz ZSQLGWUSWGKTOZ-UHFFFAOYSA-N 2 1 312.816 3.015 20 0 DGADMP CN(C)CC(C)(C)C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222110106 1095437401 /nfs/dbraw/zinc/43/74/01/1095437401.db2.gz XNAFVRPPCDQDNG-UHFFFAOYSA-N 2 1 309.542 3.210 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143957982 1095449383 /nfs/dbraw/zinc/44/93/83/1095449383.db2.gz UHOUIQRWMCRGDC-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP Clc1ccnc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc12 ZINC001222153986 1095461042 /nfs/dbraw/zinc/46/10/42/1095461042.db2.gz FANSWNDVNSIRGA-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP Clc1ccnc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc12 ZINC001222153986 1095461053 /nfs/dbraw/zinc/46/10/53/1095461053.db2.gz FANSWNDVNSIRGA-SFHVURJKSA-N 2 1 315.848 3.464 20 0 DGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC001222154660 1095462948 /nfs/dbraw/zinc/46/29/48/1095462948.db2.gz OZSQOVMKRMKLOX-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC001222154660 1095462954 /nfs/dbraw/zinc/46/29/54/1095462954.db2.gz OZSQOVMKRMKLOX-HXUWFJFHSA-N 2 1 307.441 3.324 20 0 DGADMP CC1(C)C[C@@H](C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001222155264 1095463436 /nfs/dbraw/zinc/46/34/36/1095463436.db2.gz YXDCAFXDULRCES-PKOBYXMFSA-N 2 1 308.510 3.437 20 0 DGADMP c1ccc2nc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160246 1095466899 /nfs/dbraw/zinc/46/68/99/1095466899.db2.gz DBSVQIBLKRYQRH-FQEVSTJZSA-N 2 1 324.472 3.376 20 0 DGADMP c1ccc2nc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222160246 1095466904 /nfs/dbraw/zinc/46/69/04/1095466904.db2.gz DBSVQIBLKRYQRH-FQEVSTJZSA-N 2 1 324.472 3.376 20 0 DGADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161868 1095469809 /nfs/dbraw/zinc/46/98/09/1095469809.db2.gz RYZFFGLRILFDPD-MJGOQNOKSA-N 2 1 324.509 3.212 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1O ZINC001222166682 1095471672 /nfs/dbraw/zinc/47/16/72/1095471672.db2.gz BYLFDTGKHWMRTO-IBGZPJMESA-N 2 1 302.462 3.446 20 0 DGADMP c1cn2cccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2n1 ZINC001222167339 1095472917 /nfs/dbraw/zinc/47/29/17/1095472917.db2.gz KOIHPEQYSJQGJG-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP CC(C)(C)c1nc[nH]c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167746 1095474303 /nfs/dbraw/zinc/47/43/03/1095474303.db2.gz QADQRMUCJKIHBI-IBGZPJMESA-N 2 1 318.509 3.453 20 0 DGADMP CC(C)(C)c1nc[nH]c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167746 1095474311 /nfs/dbraw/zinc/47/43/11/1095474311.db2.gz QADQRMUCJKIHBI-IBGZPJMESA-N 2 1 318.509 3.453 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1C ZINC001222243967 1095507778 /nfs/dbraw/zinc/50/77/78/1095507778.db2.gz RNFGCDGAEHSWIK-IBGZPJMESA-N 2 1 302.462 3.338 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1C ZINC001222243967 1095507782 /nfs/dbraw/zinc/50/77/82/1095507782.db2.gz RNFGCDGAEHSWIK-IBGZPJMESA-N 2 1 302.462 3.338 20 0 DGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171139571 1095514311 /nfs/dbraw/zinc/51/43/11/1095514311.db2.gz OPKWXRINQBYART-BXUZGUMPSA-N 2 1 313.272 3.392 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222259090 1095514677 /nfs/dbraw/zinc/51/46/77/1095514677.db2.gz JYKZFYVOVAFBGD-FQEVSTJZSA-N 2 1 314.473 3.299 20 0 DGADMP c1ccc(C2CCOCC2)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222259090 1095514685 /nfs/dbraw/zinc/51/46/85/1095514685.db2.gz JYKZFYVOVAFBGD-FQEVSTJZSA-N 2 1 314.473 3.299 20 0 DGADMP Cc1cc(Br)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001144222164 1095566195 /nfs/dbraw/zinc/56/61/95/1095566195.db2.gz NCXBKDOEHSKLEI-UHFFFAOYSA-N 2 1 323.278 3.285 20 0 DGADMP COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321325 1095549970 /nfs/dbraw/zinc/54/99/70/1095549970.db2.gz SSXPZIZCAPBYSU-GOSISDBHSA-N 2 1 306.425 3.251 20 0 DGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321325 1095549983 /nfs/dbraw/zinc/54/99/83/1095549983.db2.gz SSXPZIZCAPBYSU-GOSISDBHSA-N 2 1 306.425 3.251 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cnc1OC(C)C ZINC001222321206 1095550508 /nfs/dbraw/zinc/55/05/08/1095550508.db2.gz RZABYLGGYRUXSF-IBGZPJMESA-N 2 1 317.477 3.285 20 0 DGADMP Cc1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc(C)c1Cl ZINC001222408033 1095600410 /nfs/dbraw/zinc/60/04/10/1095600410.db2.gz VLJFJRCIWLSVGI-UHFFFAOYSA-N 2 1 322.880 3.159 20 0 DGADMP Cc1nc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)sc1C ZINC001144378086 1095625772 /nfs/dbraw/zinc/62/57/72/1095625772.db2.gz SPIHEOFTTZVQCG-CQSZACIVSA-N 2 1 303.431 3.117 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)sc1C ZINC001144378086 1095625778 /nfs/dbraw/zinc/62/57/78/1095625778.db2.gz SPIHEOFTTZVQCG-CQSZACIVSA-N 2 1 303.431 3.117 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001171170134 1095629241 /nfs/dbraw/zinc/62/92/41/1095629241.db2.gz NHAGAAYYSSFXLD-SLFFLAALSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001171170134 1095629246 /nfs/dbraw/zinc/62/92/46/1095629246.db2.gz NHAGAAYYSSFXLD-SLFFLAALSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001171170134 1095629252 /nfs/dbraw/zinc/62/92/52/1095629252.db2.gz NHAGAAYYSSFXLD-SLFFLAALSA-N 2 1 318.505 3.346 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001222531979 1095654184 /nfs/dbraw/zinc/65/41/84/1095654184.db2.gz HTWOHPYEKSJVHG-UHFFFAOYSA-N 2 1 308.294 3.107 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001116773323 1095654207 /nfs/dbraw/zinc/65/42/07/1095654207.db2.gz KKTBJBJHOSNEAU-MSOLQXFVSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001116773323 1095654211 /nfs/dbraw/zinc/65/42/11/1095654211.db2.gz KKTBJBJHOSNEAU-MSOLQXFVSA-N 2 1 304.478 3.017 20 0 DGADMP Fc1cccc(CC[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595972 1095682416 /nfs/dbraw/zinc/68/24/16/1095682416.db2.gz MZLBVWQQGZHWEH-IBGZPJMESA-N 2 1 310.416 3.057 20 0 DGADMP c1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC23C[NH2+]C3)cc1 ZINC001222596358 1095682574 /nfs/dbraw/zinc/68/25/74/1095682574.db2.gz UZQOJRTYCNVMOO-OAQYLSRUSA-N 2 1 318.464 3.364 20 0 DGADMP Cc1cccc(CC[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595940 1095683478 /nfs/dbraw/zinc/68/34/78/1095683478.db2.gz MEXAFYGPBPEKIH-HXUWFJFHSA-N 2 1 306.453 3.227 20 0 DGADMP CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222595812 1095683605 /nfs/dbraw/zinc/68/36/05/1095683605.db2.gz JQNXZMLFYZQLLG-HXUWFJFHSA-N 2 1 306.453 3.438 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602729 1095686853 /nfs/dbraw/zinc/68/68/53/1095686853.db2.gz YFXYBUSEMDAGBP-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602729 1095686858 /nfs/dbraw/zinc/68/68/58/1095686858.db2.gz YFXYBUSEMDAGBP-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP COCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222609117 1095692393 /nfs/dbraw/zinc/69/23/93/1095692393.db2.gz KXVUMUDFLTZYLF-FQEVSTJZSA-N 2 1 322.452 3.022 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1C(C)C ZINC001222620270 1095695680 /nfs/dbraw/zinc/69/56/80/1095695680.db2.gz KFONTUPFZNTPGM-MAUKXSAKSA-N 2 1 302.462 3.311 20 0 DGADMP Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623320 1095697661 /nfs/dbraw/zinc/69/76/61/1095697661.db2.gz GNJAQGQOIKJBCG-TXEJJXNPSA-N 2 1 316.342 3.276 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001222620737 1095699068 /nfs/dbraw/zinc/69/90/68/1095699068.db2.gz YVACAKHKGSEGES-AZUAARDMSA-N 2 1 308.425 3.243 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncccc1C(F)(F)F)CC2 ZINC001276391874 1095702860 /nfs/dbraw/zinc/70/28/60/1095702860.db2.gz WWZRLMJHAGSPGL-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ncccc1C(F)(F)F)CC2 ZINC001276391874 1095702874 /nfs/dbraw/zinc/70/28/74/1095702874.db2.gz WWZRLMJHAGSPGL-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP c1[nH+]c(CN2CC[NH+](CC3CCCCC3)CC2)c2ccccn12 ZINC001144610876 1095734663 /nfs/dbraw/zinc/73/46/63/1095734663.db2.gz FGKBUIYHDKFOAM-UHFFFAOYSA-N 2 1 312.461 3.032 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)c(O)cc2F)CC1 ZINC001144667623 1095757813 /nfs/dbraw/zinc/75/78/13/1095757813.db2.gz XCBSNEMBKLRYPY-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)c(O)cc2F)CC1 ZINC001144667623 1095757824 /nfs/dbraw/zinc/75/78/24/1095757824.db2.gz XCBSNEMBKLRYPY-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP CC[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC001246588122 1095801251 /nfs/dbraw/zinc/80/12/51/1095801251.db2.gz WDCBXHWJKVDNMA-GJZGRUSLSA-N 2 1 311.267 3.412 20 0 DGADMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1Cl ZINC001276855541 1095817516 /nfs/dbraw/zinc/81/75/16/1095817516.db2.gz VYNBDOLPAKHDSK-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP CC1=CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC001117759950 1095839087 /nfs/dbraw/zinc/83/90/87/1095839087.db2.gz HHAQEDYSUAEIJU-HXUWFJFHSA-N 2 1 313.489 3.022 20 0 DGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC001118059261 1095927458 /nfs/dbraw/zinc/92/74/58/1095927458.db2.gz LYBBJLVTBCYQIQ-JVXZTZIISA-N 2 1 303.631 3.027 20 0 DGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171246970 1095915029 /nfs/dbraw/zinc/91/50/29/1095915029.db2.gz IWPVBLXQWLQTLS-SJLPKXTDSA-N 2 1 323.525 3.068 20 0 DGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515680 1095968040 /nfs/dbraw/zinc/96/80/40/1095968040.db2.gz OSCYAYVUINZVNK-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC001340515680 1095968045 /nfs/dbraw/zinc/96/80/45/1095968045.db2.gz OSCYAYVUINZVNK-UONOGXRCSA-N 2 1 324.440 3.225 20 0 DGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001118495014 1096024053 /nfs/dbraw/zinc/02/40/53/1096024053.db2.gz ORMUXCCUNXOHIS-CVEARBPZSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495014 1096024070 /nfs/dbraw/zinc/02/40/70/1096024070.db2.gz ORMUXCCUNXOHIS-CVEARBPZSA-N 2 1 312.461 3.050 20 0 DGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001118495014 1096024080 /nfs/dbraw/zinc/02/40/80/1096024080.db2.gz ORMUXCCUNXOHIS-CVEARBPZSA-N 2 1 312.461 3.050 20 0 DGADMP Clc1cncc(Cl)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118933395 1096108113 /nfs/dbraw/zinc/10/81/13/1096108113.db2.gz OQOPFKQKWOZIGA-UHFFFAOYSA-N 2 1 314.260 3.354 20 0 DGADMP Clc1cncc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118933395 1096108117 /nfs/dbraw/zinc/10/81/17/1096108117.db2.gz OQOPFKQKWOZIGA-UHFFFAOYSA-N 2 1 314.260 3.354 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001171287036 1096114536 /nfs/dbraw/zinc/11/45/36/1096114536.db2.gz BYVJARCTELZMTA-KGLIPLIRSA-N 2 1 322.880 3.137 20 0 DGADMP Cc1cc(N[C@@H]2CCOC(C)(C)C2)ccc1N1CCN(C)CC1 ZINC001119237229 1096142194 /nfs/dbraw/zinc/14/21/94/1096142194.db2.gz BAUBTQZHYGINAF-QGZVFWFLSA-N 2 1 317.477 3.116 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC001119541733 1096224383 /nfs/dbraw/zinc/22/43/83/1096224383.db2.gz RYNPXNNNAHRIBF-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC001147588436 1096243651 /nfs/dbraw/zinc/24/36/51/1096243651.db2.gz MWPQWUDOZJJUQB-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001147588436 1096243656 /nfs/dbraw/zinc/24/36/56/1096243656.db2.gz MWPQWUDOZJJUQB-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001147588436 1096243665 /nfs/dbraw/zinc/24/36/65/1096243665.db2.gz MWPQWUDOZJJUQB-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224749683 1096277957 /nfs/dbraw/zinc/27/79/57/1096277957.db2.gz LUUUDHGOFPJJKF-ROUUACIJSA-N 2 1 317.477 3.110 20 0 DGADMP C[N@H+]1CCC[C@H]1CO[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001224817044 1096290928 /nfs/dbraw/zinc/29/09/28/1096290928.db2.gz GTTDOXAEVFRQNG-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001224817044 1096290935 /nfs/dbraw/zinc/29/09/35/1096290935.db2.gz GTTDOXAEVFRQNG-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1CCC[C@H]1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224817044 1096290941 /nfs/dbraw/zinc/29/09/41/1096290941.db2.gz GTTDOXAEVFRQNG-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP CC(C)[NH+]1CC(OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001224830090 1096297174 /nfs/dbraw/zinc/29/71/74/1096297174.db2.gz MECBKTGOTRWAOF-SFHVURJKSA-N 2 1 302.462 3.008 20 0 DGADMP CC(C)[NH+]1CC(OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830090 1096297182 /nfs/dbraw/zinc/29/71/82/1096297182.db2.gz MECBKTGOTRWAOF-SFHVURJKSA-N 2 1 302.462 3.008 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001224929055 1096315590 /nfs/dbraw/zinc/31/55/90/1096315590.db2.gz ZDLDIOUPVRPENO-MJGOQNOKSA-N 2 1 304.478 3.255 20 0 DGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330612 1096362462 /nfs/dbraw/zinc/36/24/62/1096362462.db2.gz TXEFTMGGEWVTJU-ZWKOTPCHSA-N 2 1 323.525 3.092 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345185 1096496945 /nfs/dbraw/zinc/49/69/45/1096496945.db2.gz HTPISXFHLVNMOA-JLSDUUJJSA-N 2 1 308.416 3.285 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171352186 1096522131 /nfs/dbraw/zinc/52/21/31/1096522131.db2.gz XHMVWVKWHVJEHG-VQHPVUNQSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171352186 1096522135 /nfs/dbraw/zinc/52/21/35/1096522135.db2.gz XHMVWVKWHVJEHG-VQHPVUNQSA-N 2 1 320.427 3.427 20 0 DGADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cnc1Cl ZINC001277090089 1096583997 /nfs/dbraw/zinc/58/39/97/1096583997.db2.gz XFYOHNFJUNVNQQ-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171384334 1096628176 /nfs/dbraw/zinc/62/81/76/1096628176.db2.gz VHKMBRLYABGDFB-INIZCTEOSA-N 2 1 310.432 3.486 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171454243 1096887566 /nfs/dbraw/zinc/88/75/66/1096887566.db2.gz RTADAQMHSXVGIJ-CZUORRHYSA-N 2 1 308.416 3.144 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171497577 1096901934 /nfs/dbraw/zinc/90/19/34/1096901934.db2.gz VWCUBLKLLZGJES-INIZCTEOSA-N 2 1 310.432 3.486 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171467303 1096902557 /nfs/dbraw/zinc/90/25/57/1096902557.db2.gz RGHQOWOYTPXAGH-LUKYLMHMSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171467303 1096902558 /nfs/dbraw/zinc/90/25/58/1096902558.db2.gz RGHQOWOYTPXAGH-LUKYLMHMSA-N 2 1 320.427 3.427 20 0 DGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539296 1096910834 /nfs/dbraw/zinc/91/08/34/1096910834.db2.gz RTSLXRDCYUBKKE-HQYUYXFKSA-N 2 1 323.525 3.092 20 0 DGADMP CCOc1nccc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)c1Cl ZINC001277205591 1096925452 /nfs/dbraw/zinc/92/54/52/1096925452.db2.gz NRCXCCGMYLJBDM-SJORKVTESA-N 2 1 323.868 3.288 20 0 DGADMP C[NH+]1C(C)(C)CC([NH+]2CCC3(C[C@@H]3CCO)CC2)CC1(C)C ZINC001171632094 1096931457 /nfs/dbraw/zinc/93/14/57/1096931457.db2.gz UZYWUCYFDDFGED-HNNXBMFYSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1C[C@H](n2nc(C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725868 1096956196 /nfs/dbraw/zinc/95/61/96/1096956196.db2.gz ONCSJPRSERNGSQ-WBVHZDCISA-N 2 1 320.440 3.331 20 0 DGADMP CCN([C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171758652 1096963534 /nfs/dbraw/zinc/96/35/34/1096963534.db2.gz ZRBXUPNCJQKSDU-PXNSSMCTSA-N 2 1 315.505 3.066 20 0 DGADMP C[NH2+]Cc1c(C)nn([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171760406 1096964422 /nfs/dbraw/zinc/96/44/22/1096964422.db2.gz VSLSTIYDKZBKOF-KDOFPFPSSA-N 2 1 312.461 3.055 20 0 DGADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171766244 1096966440 /nfs/dbraw/zinc/96/64/40/1096966440.db2.gz CGGAZZFEDXHPDT-RLLQIKCJSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171766244 1096966444 /nfs/dbraw/zinc/96/64/44/1096966444.db2.gz CGGAZZFEDXHPDT-RLLQIKCJSA-N 2 1 315.505 3.064 20 0 DGADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171766244 1096966449 /nfs/dbraw/zinc/96/64/49/1096966449.db2.gz CGGAZZFEDXHPDT-RLLQIKCJSA-N 2 1 315.505 3.064 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171783554 1096976414 /nfs/dbraw/zinc/97/64/14/1096976414.db2.gz TUWLDPROYLMZRD-YJBOKZPZSA-N 2 1 312.432 3.390 20 0 DGADMP CC[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC001171875125 1096986775 /nfs/dbraw/zinc/98/67/75/1096986775.db2.gz CLQKFMNUZOIERA-VQTJNVASSA-N 2 1 318.505 3.175 20 0 DGADMP CCCCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227867930 1097003483 /nfs/dbraw/zinc/00/34/83/1097003483.db2.gz MUSNWATVZFQYLD-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC1(C)C[C@H]([NH2+]C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966748 1097008139 /nfs/dbraw/zinc/00/81/39/1097008139.db2.gz WOHJTHLJYVWCMO-GOSISDBHSA-N 2 1 302.462 3.198 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC001171976162 1097023233 /nfs/dbraw/zinc/02/32/33/1097023233.db2.gz ITZDSJDFVINLKL-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCCC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC001171976162 1097023238 /nfs/dbraw/zinc/02/32/38/1097023238.db2.gz ITZDSJDFVINLKL-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976162 1097023241 /nfs/dbraw/zinc/02/32/41/1097023241.db2.gz ITZDSJDFVINLKL-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC001171976162 1097023247 /nfs/dbraw/zinc/02/32/47/1097023247.db2.gz ITZDSJDFVINLKL-OALUTQOASA-N 2 1 316.489 3.276 20 0 DGADMP CC1(C)C[C@@H](Nc2ccc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC001171975815 1097023517 /nfs/dbraw/zinc/02/35/17/1097023517.db2.gz ODXNXTGJVOCTGJ-KRWDZBQOSA-N 2 1 324.472 3.395 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001171974896 1097023782 /nfs/dbraw/zinc/02/37/82/1097023782.db2.gz WBJNDRQDOCVNNQ-AEGPPILISA-N 2 1 312.379 3.130 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001171974896 1097023787 /nfs/dbraw/zinc/02/37/87/1097023787.db2.gz WBJNDRQDOCVNNQ-AEGPPILISA-N 2 1 312.379 3.130 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001171974896 1097023791 /nfs/dbraw/zinc/02/37/91/1097023791.db2.gz WBJNDRQDOCVNNQ-AEGPPILISA-N 2 1 312.379 3.130 20 0 DGADMP C[C@@H](CO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974499 1097023901 /nfs/dbraw/zinc/02/39/01/1097023901.db2.gz HFAUBUXBCQHWSG-SJLPKXTDSA-N 2 1 304.478 3.038 20 0 DGADMP CN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978521 1097025427 /nfs/dbraw/zinc/02/54/27/1097025427.db2.gz YZNLYNZOVWHULR-LJQANCHMSA-N 2 1 317.521 3.313 20 0 DGADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976996 1097025852 /nfs/dbraw/zinc/02/58/52/1097025852.db2.gz PLHHGSCPCSMTIW-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976996 1097025859 /nfs/dbraw/zinc/02/58/59/1097025859.db2.gz PLHHGSCPCSMTIW-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976996 1097025862 /nfs/dbraw/zinc/02/58/62/1097025862.db2.gz PLHHGSCPCSMTIW-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171976996 1097025869 /nfs/dbraw/zinc/02/58/69/1097025869.db2.gz PLHHGSCPCSMTIW-NZSAHSFTSA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC001171979991 1097028153 /nfs/dbraw/zinc/02/81/53/1097028153.db2.gz RUPUBJWMDPCLFW-WBVHZDCISA-N 2 1 304.478 3.179 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@@H]3CCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988030 1097028948 /nfs/dbraw/zinc/02/89/48/1097028948.db2.gz OAJIVGNISTUNBZ-IPMKNSEASA-N 2 1 314.473 3.150 20 0 DGADMP CC(C)(CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066177 1097043934 /nfs/dbraw/zinc/04/39/34/1097043934.db2.gz UNSVUZMIZFBHDM-LDLYASANSA-N 2 1 316.489 3.323 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@@H]2CCOC2)C3)cc1 ZINC001172066091 1097044710 /nfs/dbraw/zinc/04/47/10/1097044710.db2.gz TXXGQZCQLCDQNU-LWYYNNOASA-N 2 1 314.473 3.198 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCC(=O)CC3)CC1)C2 ZINC001172127409 1097047206 /nfs/dbraw/zinc/04/72/06/1097047206.db2.gz IRESXAGBBGCWBB-BJWYYQGGSA-N 2 1 304.478 3.227 20 0 DGADMP COc1ccc(Cl)cc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104126 1097052602 /nfs/dbraw/zinc/05/26/02/1097052602.db2.gz ZVHRDIMXOBFBQQ-PHZGNYQRSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104126 1097052608 /nfs/dbraw/zinc/05/26/08/1097052608.db2.gz ZVHRDIMXOBFBQQ-PHZGNYQRSA-N 2 1 308.853 3.454 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104126 1097052614 /nfs/dbraw/zinc/05/26/14/1097052614.db2.gz ZVHRDIMXOBFBQQ-PHZGNYQRSA-N 2 1 308.853 3.454 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105814 1097055442 /nfs/dbraw/zinc/05/54/42/1097055442.db2.gz KTEWAANSUNXPCX-MHORFTMASA-N 2 1 322.880 3.368 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1cccc(Cl)c1)C2 ZINC001172105814 1097055446 /nfs/dbraw/zinc/05/54/46/1097055446.db2.gz KTEWAANSUNXPCX-MHORFTMASA-N 2 1 322.880 3.368 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109250 1097056446 /nfs/dbraw/zinc/05/64/46/1097056446.db2.gz JBSUQKFGZJESPH-LEUOFYLZSA-N 2 1 302.462 3.318 20 0 DGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109250 1097056449 /nfs/dbraw/zinc/05/64/49/1097056449.db2.gz JBSUQKFGZJESPH-LEUOFYLZSA-N 2 1 302.462 3.318 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCOc1ccccc1)C2 ZINC001172111100 1097056477 /nfs/dbraw/zinc/05/64/77/1097056477.db2.gz RWGHXPBOIMKZQZ-BCDXTJNWSA-N 2 1 302.462 3.451 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172111557 1097056984 /nfs/dbraw/zinc/05/69/84/1097056984.db2.gz VJQZHUWYTUQXJJ-CODKJTEISA-N 2 1 315.461 3.311 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172111557 1097056985 /nfs/dbraw/zinc/05/69/85/1097056985.db2.gz VJQZHUWYTUQXJJ-CODKJTEISA-N 2 1 315.461 3.311 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ncccc1F)C1CC1)C2 ZINC001172110854 1097057039 /nfs/dbraw/zinc/05/70/39/1097057039.db2.gz QBCVOBBLPFHGAM-PNBKFKSVSA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ncccc1F)C1CC1)C2 ZINC001172110854 1097057045 /nfs/dbraw/zinc/05/70/45/1097057045.db2.gz QBCVOBBLPFHGAM-PNBKFKSVSA-N 2 1 303.425 3.277 20 0 DGADMP COc1ncccc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112502 1097059236 /nfs/dbraw/zinc/05/92/36/1097059236.db2.gz WNNOYLOWMQEBHH-DFGXFYAUSA-N 2 1 315.461 3.146 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)c1ncccc1F)C2 ZINC001172112183 1097060245 /nfs/dbraw/zinc/06/02/45/1097060245.db2.gz TXAMXERXKRPEGY-QKDCVEJESA-N 2 1 305.441 3.103 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157308 1097061279 /nfs/dbraw/zinc/06/12/79/1097061279.db2.gz XMEQYXQMDLXWSW-LSDHHAIUSA-N 2 1 318.358 3.399 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)CC[C@@H]1F ZINC001206157308 1097061285 /nfs/dbraw/zinc/06/12/85/1097061285.db2.gz XMEQYXQMDLXWSW-LSDHHAIUSA-N 2 1 318.358 3.399 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114627 1097062011 /nfs/dbraw/zinc/06/20/11/1097062011.db2.gz OWUIRLPDGKJGDB-GGXPGOJBSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114627 1097062018 /nfs/dbraw/zinc/06/20/18/1097062018.db2.gz OWUIRLPDGKJGDB-GGXPGOJBSA-N 2 1 300.446 3.287 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121011 1097062987 /nfs/dbraw/zinc/06/29/87/1097062987.db2.gz NYINNHBZZLLUET-FAJBIJEISA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121011 1097062993 /nfs/dbraw/zinc/06/29/93/1097062993.db2.gz NYINNHBZZLLUET-FAJBIJEISA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121011 1097062998 /nfs/dbraw/zinc/06/29/98/1097062998.db2.gz NYINNHBZZLLUET-FAJBIJEISA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121011 1097063005 /nfs/dbraw/zinc/06/30/05/1097063005.db2.gz NYINNHBZZLLUET-FAJBIJEISA-N 2 1 322.493 3.057 20 0 DGADMP C[NH+]1CCC(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC001172124103 1097065792 /nfs/dbraw/zinc/06/57/92/1097065792.db2.gz JKUAPVPTBCDQDQ-PMOLBWCYSA-N 3 1 319.537 3.056 20 0 DGADMP C[NH+]1CCC(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001172124103 1097065795 /nfs/dbraw/zinc/06/57/95/1097065795.db2.gz JKUAPVPTBCDQDQ-PMOLBWCYSA-N 3 1 319.537 3.056 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CSc4ccccc4C3)C2)CC1 ZINC001172204719 1097076362 /nfs/dbraw/zinc/07/63/62/1097076362.db2.gz CYOLQBKGVXASEJ-MRXNPFEDSA-N 2 1 302.487 3.121 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172222894 1097080725 /nfs/dbraw/zinc/08/07/25/1097080725.db2.gz KPDPJTRYHVCXIL-GSWHEVMTSA-N 2 1 306.494 3.459 20 0 DGADMP COCCC[NH+]1CCC([NH2+]C2(C)CCC(F)(F)CC2)CC1 ZINC001172249042 1097091186 /nfs/dbraw/zinc/09/11/86/1097091186.db2.gz UMOMVFFXQXFCQF-UHFFFAOYSA-N 2 1 304.425 3.045 20 0 DGADMP CC[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCCOC)CC1 ZINC001172253423 1097091590 /nfs/dbraw/zinc/09/15/90/1097091590.db2.gz PDZHOXYUXPUYCN-UHFFFAOYSA-N 2 1 308.441 3.149 20 0 DGADMP CC[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCCOC)CC1 ZINC001172253423 1097091597 /nfs/dbraw/zinc/09/15/97/1097091597.db2.gz PDZHOXYUXPUYCN-UHFFFAOYSA-N 2 1 308.441 3.149 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001172253410 1097091776 /nfs/dbraw/zinc/09/17/76/1097091776.db2.gz OQTCMOBWGZHQHI-QGZVFWFLSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001172253410 1097091780 /nfs/dbraw/zinc/09/17/80/1097091780.db2.gz OQTCMOBWGZHQHI-QGZVFWFLSA-N 2 1 320.452 3.116 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2CCSc3ccccc3C2)CC1 ZINC001172254471 1097092784 /nfs/dbraw/zinc/09/27/84/1097092784.db2.gz NIKOWSOZQWVSMO-UHFFFAOYSA-N 2 1 320.502 3.095 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2CCSc3ccccc3C2)CC1 ZINC001172254471 1097092790 /nfs/dbraw/zinc/09/27/90/1097092790.db2.gz NIKOWSOZQWVSMO-UHFFFAOYSA-N 2 1 320.502 3.095 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163866 1097093264 /nfs/dbraw/zinc/09/32/64/1097093264.db2.gz GXACGUUJVNFKBO-ROUUACIJSA-N 2 1 316.420 3.500 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163866 1097093270 /nfs/dbraw/zinc/09/32/70/1097093270.db2.gz GXACGUUJVNFKBO-ROUUACIJSA-N 2 1 316.420 3.500 20 0 DGADMP COCCC[NH+]1CCC([N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC001172256221 1097093800 /nfs/dbraw/zinc/09/38/00/1097093800.db2.gz SNSYLFVSJVKMPI-UHFFFAOYSA-N 2 1 324.896 3.315 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC001172256221 1097093806 /nfs/dbraw/zinc/09/38/06/1097093806.db2.gz SNSYLFVSJVKMPI-UHFFFAOYSA-N 2 1 324.896 3.315 20 0 DGADMP COCCC[NH+]1CCC([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001172255597 1097094026 /nfs/dbraw/zinc/09/40/26/1097094026.db2.gz WZVVAASBMRIVCI-UHFFFAOYSA-N 2 1 322.518 3.428 20 0 DGADMP CC1(C)C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172280558 1097102427 /nfs/dbraw/zinc/10/24/27/1097102427.db2.gz KVEJZKODRJNJDF-BZSNNMDCSA-N 2 1 320.452 3.465 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC001172279194 1097102613 /nfs/dbraw/zinc/10/26/13/1097102613.db2.gz GFOHMHYHIOLMIV-NZSAHSFTSA-N 2 1 316.489 3.302 20 0 DGADMP CCCCCC[C@@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001172379503 1097113805 /nfs/dbraw/zinc/11/38/05/1097113805.db2.gz UWMVTCOLNLTGBR-CVEARBPZSA-N 2 1 300.487 3.386 20 0 DGADMP CCOCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001172410981 1097132508 /nfs/dbraw/zinc/13/25/08/1097132508.db2.gz CKQLLBITVDCXQD-CQSZACIVSA-N 2 1 310.869 3.405 20 0 DGADMP CCOCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001172424687 1097135819 /nfs/dbraw/zinc/13/58/19/1097135819.db2.gz QBLZNCXSKXRLHT-KRWDZBQOSA-N 2 1 320.477 3.383 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(C(F)(F)F)c3)[C@H]2C1 ZINC001204089297 1097186152 /nfs/dbraw/zinc/18/61/52/1097186152.db2.gz LYLMJBXYSQULKF-SLEUVZQESA-N 2 1 316.342 3.274 20 0 DGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172604948 1097192264 /nfs/dbraw/zinc/19/22/64/1097192264.db2.gz NJSKOXRPBKIIPC-QBPKDAKJSA-N 2 1 324.509 3.336 20 0 DGADMP C[N@H+]1CC[C@@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C1 ZINC001228823637 1097198363 /nfs/dbraw/zinc/19/83/63/1097198363.db2.gz NMJOMYDJCSIETM-MRXNPFEDSA-N 2 1 313.445 3.060 20 0 DGADMP C[N@H+]1CCc2cc(O[C@H]3CC[NH+](Cc4ccccc4)C3)ccc2C1 ZINC001228937094 1097221099 /nfs/dbraw/zinc/22/10/99/1097221099.db2.gz VNYSERUPGPCHPA-NRFANRHFSA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2cc(O[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2C1 ZINC001228937094 1097221104 /nfs/dbraw/zinc/22/11/04/1097221104.db2.gz VNYSERUPGPCHPA-NRFANRHFSA-N 2 1 322.452 3.328 20 0 DGADMP C[NH+]1CCc2cc(O[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2C1 ZINC001228937094 1097221111 /nfs/dbraw/zinc/22/11/11/1097221111.db2.gz VNYSERUPGPCHPA-NRFANRHFSA-N 2 1 322.452 3.328 20 0 DGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172755912 1097230984 /nfs/dbraw/zinc/23/09/84/1097230984.db2.gz LCEJGWGGBJNVNV-SJLPKXTDSA-N 2 1 320.477 3.389 20 0 DGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780757 1097239830 /nfs/dbraw/zinc/23/98/30/1097239830.db2.gz TUUNUNVOFBNBNV-QAETUUGQSA-N 2 1 310.482 3.089 20 0 DGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780759 1097240007 /nfs/dbraw/zinc/24/00/07/1097240007.db2.gz TUUNUNVOFBNBNV-WCXIOVBPSA-N 2 1 310.482 3.089 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172873207 1097271084 /nfs/dbraw/zinc/27/10/84/1097271084.db2.gz RNAIFUVNNWPSKU-GFCCVEGCSA-N 2 1 307.800 3.165 20 0 DGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172873207 1097271090 /nfs/dbraw/zinc/27/10/90/1097271090.db2.gz RNAIFUVNNWPSKU-GFCCVEGCSA-N 2 1 307.800 3.165 20 0 DGADMP CC[NH+](CC)C1CCC([NH2+]C(C)(C)C(=O)OC(C)(C)C)CC1 ZINC001173105019 1097331230 /nfs/dbraw/zinc/33/12/30/1097331230.db2.gz YOJMGEOJWNJGMZ-UHFFFAOYSA-N 2 1 312.498 3.349 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001173113594 1097332797 /nfs/dbraw/zinc/33/27/97/1097332797.db2.gz WERIHMRXMHAVPQ-UHFFFAOYSA-N 3 1 307.526 3.057 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001173110880 1097332813 /nfs/dbraw/zinc/33/28/13/1097332813.db2.gz UHJSWRBALZVLIJ-VIQWUECVSA-N 3 1 309.542 3.480 20 0 DGADMP CC[NH+](CC)C1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC001173114828 1097333377 /nfs/dbraw/zinc/33/33/77/1097333377.db2.gz UFUKQVIWLOTTBR-UHFFFAOYSA-N 2 1 312.498 3.303 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173126873 1097337241 /nfs/dbraw/zinc/33/72/41/1097337241.db2.gz RXRIBACMNYUFQG-QEJZJMRPSA-N 2 1 305.491 3.125 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173126872 1097337698 /nfs/dbraw/zinc/33/76/98/1097337698.db2.gz RXRIBACMNYUFQG-BPLDGKMQSA-N 2 1 305.491 3.125 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC001173168729 1097363117 /nfs/dbraw/zinc/36/31/17/1097363117.db2.gz YNXPFFZQYDGURJ-MVBLQPKNSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171097 1097366188 /nfs/dbraw/zinc/36/61/88/1097366188.db2.gz GEBQWZMIYAXPTI-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171097 1097366192 /nfs/dbraw/zinc/36/61/92/1097366192.db2.gz GEBQWZMIYAXPTI-NEPXVJNWSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271601 1097390870 /nfs/dbraw/zinc/39/08/70/1097390870.db2.gz HISDNBPOLFHBCS-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001173271601 1097390875 /nfs/dbraw/zinc/39/08/75/1097390875.db2.gz HISDNBPOLFHBCS-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229852107 1097399564 /nfs/dbraw/zinc/39/95/64/1097399564.db2.gz FEMAUFBGRPVJCU-IKSUFZCESA-N 2 1 323.525 3.092 20 0 DGADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C1 ZINC001173278045 1097410920 /nfs/dbraw/zinc/41/09/20/1097410920.db2.gz LOUNONMPTUDKIB-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278045 1097410923 /nfs/dbraw/zinc/41/09/23/1097410923.db2.gz LOUNONMPTUDKIB-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C1 ZINC001173278045 1097410925 /nfs/dbraw/zinc/41/09/25/1097410925.db2.gz LOUNONMPTUDKIB-VBSBHUPXSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173474808 1097444907 /nfs/dbraw/zinc/44/49/07/1097444907.db2.gz HWDRFZNFVPRKTG-OKILXGFUSA-N 2 1 322.443 3.390 20 0 DGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230107503 1097446446 /nfs/dbraw/zinc/44/64/46/1097446446.db2.gz ILFLYOROMZFMIK-FPLPWBNLSA-N 2 1 323.525 3.045 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632406 1097479986 /nfs/dbraw/zinc/47/99/86/1097479986.db2.gz LYCPYOBBQANIMC-XSLAGTTESA-N 2 1 324.509 3.336 20 0 DGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173648763 1097491927 /nfs/dbraw/zinc/49/19/27/1097491927.db2.gz JPZCQCBEZLFGFK-MSOLQXFVSA-N 2 1 324.509 3.161 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001231652412 1097802766 /nfs/dbraw/zinc/80/27/66/1097802766.db2.gz BCPHUFNRDWVVOX-UHFFFAOYSA-N 2 1 305.466 3.033 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c[nH]nc2c1 ZINC001231908030 1097888857 /nfs/dbraw/zinc/88/88/57/1097888857.db2.gz CJWWYISWGJIQIE-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC001231908030 1097888864 /nfs/dbraw/zinc/88/88/64/1097888864.db2.gz CJWWYISWGJIQIE-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC001231908030 1097888873 /nfs/dbraw/zinc/88/88/73/1097888873.db2.gz CJWWYISWGJIQIE-ZWKOTPCHSA-N 2 1 312.461 3.402 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232005540 1097913745 /nfs/dbraw/zinc/91/37/45/1097913745.db2.gz NVKKQHZACONXOT-GJZGRUSLSA-N 2 1 312.379 3.397 20 0 DGADMP CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011228 1097917056 /nfs/dbraw/zinc/91/70/56/1097917056.db2.gz JLVCOOMESLOWFN-CQSZACIVSA-N 2 1 317.389 3.089 20 0 DGADMP CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011228 1097917058 /nfs/dbraw/zinc/91/70/58/1097917058.db2.gz JLVCOOMESLOWFN-CQSZACIVSA-N 2 1 317.389 3.089 20 0 DGADMP c1c2c[nH+]ccc2[nH]c1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001232014203 1097917914 /nfs/dbraw/zinc/91/79/14/1097917914.db2.gz KNIVONHNSZOODD-OALUTQOASA-N 2 1 318.424 3.022 20 0 DGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014074 1097918466 /nfs/dbraw/zinc/91/84/66/1097918466.db2.gz JGMGGALMHWASTO-ZDUSSCGKSA-N 2 1 315.417 3.117 20 0 DGADMP CCCC[C@H](C(=O)OC)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062883 1097921265 /nfs/dbraw/zinc/92/12/65/1097921265.db2.gz VIXLWVOKIOOULA-GOSISDBHSA-N 2 1 320.477 3.302 20 0 DGADMP CCCC[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062883 1097921270 /nfs/dbraw/zinc/92/12/70/1097921270.db2.gz VIXLWVOKIOOULA-GOSISDBHSA-N 2 1 320.477 3.302 20 0 DGADMP COc1c(C)cnc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1C ZINC001277614472 1097941126 /nfs/dbraw/zinc/94/11/26/1097941126.db2.gz ZQQNOJFMMLWOPK-IBGZPJMESA-N 2 1 317.477 3.015 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c1C ZINC001277614472 1097941130 /nfs/dbraw/zinc/94/11/30/1097941130.db2.gz ZQQNOJFMMLWOPK-IBGZPJMESA-N 2 1 317.477 3.015 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1C ZINC001277614472 1097941134 /nfs/dbraw/zinc/94/11/34/1097941134.db2.gz ZQQNOJFMMLWOPK-IBGZPJMESA-N 2 1 317.477 3.015 20 0 DGADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C[C@@H]21 ZINC001232147987 1097950263 /nfs/dbraw/zinc/95/02/63/1097950263.db2.gz UWNHJHYWSZGKTR-NZSAHSFTSA-N 2 1 320.452 3.134 20 0 DGADMP CC(C)[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CCOCC1 ZINC001232151434 1097951111 /nfs/dbraw/zinc/95/11/11/1097951111.db2.gz NOUPDVGQCHUESD-UHFFFAOYSA-N 2 1 308.441 3.277 20 0 DGADMP Cc1cc[nH+]c(N[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c1 ZINC001277679293 1098072596 /nfs/dbraw/zinc/07/25/96/1098072596.db2.gz AKNGOHVQHPMGSE-MSOLQXFVSA-N 2 1 311.433 3.160 20 0 DGADMP CNc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232671517 1098110542 /nfs/dbraw/zinc/11/05/42/1098110542.db2.gz MNOPHXPSSSAQQO-PMACEKPBSA-N 2 1 321.468 3.292 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC001175972707 1098215650 /nfs/dbraw/zinc/21/56/50/1098215650.db2.gz DGJOMKCYIRENNV-AABGKKOBSA-N 2 1 314.473 3.009 20 0 DGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001176024272 1098236198 /nfs/dbraw/zinc/23/61/98/1098236198.db2.gz OAPAWODQPXDESK-QGZVFWFLSA-N 2 1 313.530 3.029 20 0 DGADMP Cn1c[nH+]cc1N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277769937 1098237660 /nfs/dbraw/zinc/23/76/60/1098237660.db2.gz ZNKUFLLDWCYQGP-SFHVURJKSA-N 2 1 302.466 3.045 20 0 DGADMP Cc1ccc(Cl)cc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001233249263 1098264838 /nfs/dbraw/zinc/26/48/38/1098264838.db2.gz PKPYKJNGXCBVCJ-UHFFFAOYSA-N 2 1 321.852 3.278 20 0 DGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2CCO3)CC1 ZINC001233278282 1098272682 /nfs/dbraw/zinc/27/26/82/1098272682.db2.gz KZRIPJVHZKTDAF-UHFFFAOYSA-N 2 1 300.446 3.072 20 0 DGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176269052 1098310207 /nfs/dbraw/zinc/31/02/07/1098310207.db2.gz QIYROZGPLWDNAA-QGZVFWFLSA-N 2 1 313.530 3.173 20 0 DGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC ZINC001176268861 1098310103 /nfs/dbraw/zinc/31/01/03/1098310103.db2.gz NLNVPMXCVKATFZ-SJORKVTESA-N 2 1 313.530 3.029 20 0 DGADMP C[N@H+](Cc1ccc2nc(Cl)ccc2c1)C1CC[NH+](C)CC1 ZINC001233442612 1098334152 /nfs/dbraw/zinc/33/41/52/1098334152.db2.gz ZBPNFPATLLVECX-UHFFFAOYSA-N 2 1 303.837 3.414 20 0 DGADMP C[N@@H+](Cc1ccc2nc(Cl)ccc2c1)C1CC[NH+](C)CC1 ZINC001233442612 1098334158 /nfs/dbraw/zinc/33/41/58/1098334158.db2.gz ZBPNFPATLLVECX-UHFFFAOYSA-N 2 1 303.837 3.414 20 0 DGADMP CC[C@@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277807439 1098430446 /nfs/dbraw/zinc/43/04/46/1098430446.db2.gz MSJRDCXNQKWVDF-MRXNPFEDSA-N 2 1 317.477 3.264 20 0 DGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176753698 1098434502 /nfs/dbraw/zinc/43/45/02/1098434502.db2.gz KVSVUINBZWOSQX-INIZCTEOSA-N 2 1 313.530 3.027 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c(=O)c2ccccc12 ZINC001234016076 1098477417 /nfs/dbraw/zinc/47/74/17/1098477417.db2.gz DNMLTHCBJVAHLA-UHFFFAOYSA-N 2 1 301.434 3.104 20 0 DGADMP CCOC(=O)CCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277881402 1098654204 /nfs/dbraw/zinc/65/42/04/1098654204.db2.gz WSLYMYZTSRPSPY-UHFFFAOYSA-N 2 1 322.493 3.060 20 0 DGADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC(C)C)c1 ZINC001234719702 1098654293 /nfs/dbraw/zinc/65/42/93/1098654293.db2.gz DQFSWCAFOUKAPL-LJQANCHMSA-N 2 1 318.461 3.010 20 0 DGADMP CC(=O)[C@@H](C)[NH2+][C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001277888410 1098661631 /nfs/dbraw/zinc/66/16/31/1098661631.db2.gz IYJFHLBIOQUYMA-YUELXQCFSA-N 2 1 320.399 3.331 20 0 DGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045757 1098685728 /nfs/dbraw/zinc/68/57/28/1098685728.db2.gz UOFCMWDPPQZOOD-XFHJGTJQSA-N 2 1 323.525 3.093 20 0 DGADMP Cc1ccc(Oc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234980547 1098734671 /nfs/dbraw/zinc/73/46/71/1098734671.db2.gz YZSZNFIXWUZLJS-HDICACEKSA-N 2 1 308.425 3.439 20 0 DGADMP Cc1ccc(Oc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234980547 1098734676 /nfs/dbraw/zinc/73/46/76/1098734676.db2.gz YZSZNFIXWUZLJS-HDICACEKSA-N 2 1 308.425 3.439 20 0 DGADMP CCSCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277914382 1098735575 /nfs/dbraw/zinc/73/55/75/1098735575.db2.gz SPNQPTAUUFXUAK-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP CCSCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277914382 1098735582 /nfs/dbraw/zinc/73/55/82/1098735582.db2.gz SPNQPTAUUFXUAK-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP CCSCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277914382 1098735593 /nfs/dbraw/zinc/73/55/93/1098735593.db2.gz SPNQPTAUUFXUAK-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP CCSCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277914382 1098735606 /nfs/dbraw/zinc/73/56/06/1098735606.db2.gz SPNQPTAUUFXUAK-KRWDZBQOSA-N 2 1 307.507 3.056 20 0 DGADMP c1c2ccccc2sc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235004702 1098747089 /nfs/dbraw/zinc/74/70/89/1098747089.db2.gz ATNBQTLGALHMME-GOSISDBHSA-N 2 1 316.470 3.103 20 0 DGADMP c1c2ccccc2sc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235004702 1098747097 /nfs/dbraw/zinc/74/70/97/1098747097.db2.gz ATNBQTLGALHMME-GOSISDBHSA-N 2 1 316.470 3.103 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005750 1098747336 /nfs/dbraw/zinc/74/73/36/1098747336.db2.gz JHYNHMOWASCMQV-VDZJLULYSA-N 2 1 300.490 3.456 20 0 DGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005750 1098747341 /nfs/dbraw/zinc/74/73/41/1098747341.db2.gz JHYNHMOWASCMQV-VDZJLULYSA-N 2 1 300.490 3.456 20 0 DGADMP CC(C)c1ccccc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235020498 1098755682 /nfs/dbraw/zinc/75/56/82/1098755682.db2.gz DIKHNHVZAMSKFE-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP CC(C)c1ccccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235020498 1098755691 /nfs/dbraw/zinc/75/56/91/1098755691.db2.gz DIKHNHVZAMSKFE-IBGZPJMESA-N 2 1 302.462 3.012 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025435 1098756447 /nfs/dbraw/zinc/75/64/47/1098756447.db2.gz AJNLGKVVJWKMFY-UHFFFAOYSA-N 2 1 308.425 3.061 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025435 1098756459 /nfs/dbraw/zinc/75/64/59/1098756459.db2.gz AJNLGKVVJWKMFY-UHFFFAOYSA-N 2 1 308.425 3.061 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235030923 1098759065 /nfs/dbraw/zinc/75/90/65/1098759065.db2.gz IMQMCMIJLAZXGR-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235030923 1098759072 /nfs/dbraw/zinc/75/90/72/1098759072.db2.gz IMQMCMIJLAZXGR-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036814 1098766904 /nfs/dbraw/zinc/76/69/04/1098766904.db2.gz BWBGEJAUUBWROF-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036814 1098766911 /nfs/dbraw/zinc/76/69/11/1098766911.db2.gz BWBGEJAUUBWROF-SFHVURJKSA-N 2 1 306.425 3.333 20 0 DGADMP CCN1CCc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)cc21 ZINC001235037546 1098767476 /nfs/dbraw/zinc/76/74/76/1098767476.db2.gz HSPKTTNJZJLGJN-HXUWFJFHSA-N 2 1 313.489 3.177 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045137 1098770821 /nfs/dbraw/zinc/77/08/21/1098770821.db2.gz ZLLLVHSMRKRKBD-LJQANCHMSA-N 2 1 313.420 3.348 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045137 1098770831 /nfs/dbraw/zinc/77/08/31/1098770831.db2.gz ZLLLVHSMRKRKBD-LJQANCHMSA-N 2 1 313.420 3.348 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045137 1098770841 /nfs/dbraw/zinc/77/08/41/1098770841.db2.gz ZLLLVHSMRKRKBD-LJQANCHMSA-N 2 1 313.420 3.348 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001235045137 1098770853 /nfs/dbraw/zinc/77/08/53/1098770853.db2.gz ZLLLVHSMRKRKBD-LJQANCHMSA-N 2 1 313.420 3.348 20 0 DGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235089550 1098793882 /nfs/dbraw/zinc/79/38/82/1098793882.db2.gz PGHTVXNXADZWEN-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235089550 1098793894 /nfs/dbraw/zinc/79/38/94/1098793894.db2.gz PGHTVXNXADZWEN-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP CCc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(CC)c1O ZINC001235094486 1098797761 /nfs/dbraw/zinc/79/77/61/1098797761.db2.gz XUJRQAOIEYYAIK-UHFFFAOYSA-N 2 1 302.462 3.093 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235106932 1098806908 /nfs/dbraw/zinc/80/69/08/1098806908.db2.gz VJLNKUIHXBAXFS-UHFFFAOYSA-N 2 1 314.351 3.222 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(F)c1 ZINC001235144566 1098835595 /nfs/dbraw/zinc/83/55/95/1098835595.db2.gz MOZTUIUFVFPZKA-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(F)c1 ZINC001235144566 1098835604 /nfs/dbraw/zinc/83/56/04/1098835604.db2.gz MOZTUIUFVFPZKA-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(C)cc1O ZINC001235154324 1098839159 /nfs/dbraw/zinc/83/91/59/1098839159.db2.gz KVXMSLUBMBLKQY-GOSISDBHSA-N 2 1 302.462 3.363 20 0 DGADMP CSc1cc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cn1 ZINC001235156306 1098842105 /nfs/dbraw/zinc/84/21/05/1098842105.db2.gz FVZIYDNIAZOSQW-KRWDZBQOSA-N 2 1 319.518 3.466 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)NCCC2 ZINC001235154608 1098842544 /nfs/dbraw/zinc/84/25/44/1098842544.db2.gz IQIGOIDDDMNMTF-FQEVSTJZSA-N 2 1 313.489 3.399 20 0 DGADMP Oc1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1Cl ZINC001235157605 1098843700 /nfs/dbraw/zinc/84/37/00/1098843700.db2.gz JSONDPVLOXRAJM-MRXNPFEDSA-N 2 1 308.853 3.400 20 0 DGADMP Oc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1Cl ZINC001235157605 1098843706 /nfs/dbraw/zinc/84/37/06/1098843706.db2.gz JSONDPVLOXRAJM-MRXNPFEDSA-N 2 1 308.853 3.400 20 0 DGADMP Oc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235161526 1098847111 /nfs/dbraw/zinc/84/71/11/1098847111.db2.gz SQLWQMDUYFKVPN-OAHLLOKOSA-N 2 1 310.388 3.025 20 0 DGADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235162502 1098847193 /nfs/dbraw/zinc/84/71/93/1098847193.db2.gz VXCPBUSTDIGFAI-MRXNPFEDSA-N 2 1 319.518 3.376 20 0 DGADMP Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235183535 1098861635 /nfs/dbraw/zinc/86/16/35/1098861635.db2.gz APWFCPOIJCEFPA-MOPGFXCFSA-N 2 1 308.425 3.101 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c(C)c1 ZINC001235189548 1098866685 /nfs/dbraw/zinc/86/66/85/1098866685.db2.gz LWKNUPYZLMSUIL-UHFFFAOYSA-N 2 1 302.462 3.420 20 0 DGADMP COc1ccc(CCC[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235189854 1098867293 /nfs/dbraw/zinc/86/72/93/1098867293.db2.gz FJSCVGSAANQRJY-UHFFFAOYSA-N 2 1 302.462 3.236 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C(C)C ZINC001235193878 1098870370 /nfs/dbraw/zinc/87/03/70/1098870370.db2.gz RNYALVCCCMETOX-NVXWUHKLSA-N 2 1 302.462 3.168 20 0 DGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193842 1098870931 /nfs/dbraw/zinc/87/09/31/1098870931.db2.gz QPARYAOZEORRMZ-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193842 1098870938 /nfs/dbraw/zinc/87/09/38/1098870938.db2.gz QPARYAOZEORRMZ-QZTJIDSGSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2F)CC1 ZINC001206335295 1098878392 /nfs/dbraw/zinc/87/83/92/1098878392.db2.gz DQOPFVYCOKTGFS-AWEZNQCLSA-N 2 1 319.346 3.190 20 0 DGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001235224332 1098896513 /nfs/dbraw/zinc/89/65/13/1098896513.db2.gz JHQSDFWICGTSGL-HOTGVXAUSA-N 2 1 312.379 3.093 20 0 DGADMP c1c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235226025 1098899035 /nfs/dbraw/zinc/89/90/35/1098899035.db2.gz XAYOAYILENNTOD-DOTOQJQBSA-N 2 1 309.457 3.367 20 0 DGADMP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693479 1098910434 /nfs/dbraw/zinc/91/04/34/1098910434.db2.gz TYMXERLITCMKDI-GOSISDBHSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693531 1098911597 /nfs/dbraw/zinc/91/15/97/1098911597.db2.gz VJDMEKSROWOZLF-SFHVURJKSA-N 2 1 323.525 3.070 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001277929947 1098915402 /nfs/dbraw/zinc/91/54/02/1098915402.db2.gz AIQUQKFIJLBOIS-VHRNVKJDSA-N 2 1 305.491 3.479 20 0 DGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001277929947 1098915407 /nfs/dbraw/zinc/91/54/07/1098915407.db2.gz AIQUQKFIJLBOIS-VHRNVKJDSA-N 2 1 305.491 3.479 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235264981 1098937869 /nfs/dbraw/zinc/93/78/69/1098937869.db2.gz SCEIZOOMCDTFEV-FPOVZHCZSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(OCc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001235264981 1098937883 /nfs/dbraw/zinc/93/78/83/1098937883.db2.gz SCEIZOOMCDTFEV-FPOVZHCZSA-N 2 1 322.452 3.449 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235340001 1098964926 /nfs/dbraw/zinc/96/49/26/1098964926.db2.gz GLAVGLNGGGCJTQ-JTQLQIEISA-N 2 1 318.770 3.400 20 0 DGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)ccc1-2 ZINC001235340515 1098965128 /nfs/dbraw/zinc/96/51/28/1098965128.db2.gz KHTNHIDQNGGENZ-QGZVFWFLSA-N 2 1 304.437 3.299 20 0 DGADMP Fc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235350378 1098972609 /nfs/dbraw/zinc/97/26/09/1098972609.db2.gz ZBNSZQNZCSDDHM-WOJBJXKFSA-N 2 1 310.416 3.405 20 0 DGADMP Fc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235350378 1098972614 /nfs/dbraw/zinc/97/26/14/1098972614.db2.gz ZBNSZQNZCSDDHM-WOJBJXKFSA-N 2 1 310.416 3.405 20 0 DGADMP CS[C@@H](C)CC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377124 1098985816 /nfs/dbraw/zinc/98/58/16/1098985816.db2.gz AGAXTBUNERSQSP-JQHSSLGASA-N 2 1 304.503 3.207 20 0 DGADMP Fc1ccccc1CC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377166 1098986770 /nfs/dbraw/zinc/98/67/70/1098986770.db2.gz BMRIBKVTHHYAFU-CTNGQTDRSA-N 2 1 324.443 3.447 20 0 DGADMP CNc1ccccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377350 1098986810 /nfs/dbraw/zinc/98/68/10/1098986810.db2.gz RTCPOYYOYNJLGU-CTNGQTDRSA-N 2 1 321.468 3.307 20 0 DGADMP Nc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235380756 1098987322 /nfs/dbraw/zinc/98/73/22/1098987322.db2.gz KQMCJXBYPIKIQT-FPOVZHCZSA-N 2 1 321.468 3.022 20 0 DGADMP Nc1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235379009 1098987592 /nfs/dbraw/zinc/98/75/92/1098987592.db2.gz FOLPYGXFIBOSNO-PZJWPPBQSA-N 2 1 321.468 3.022 20 0 DGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001235396825 1098993221 /nfs/dbraw/zinc/99/32/21/1098993221.db2.gz MQSWYSKOLQCJHX-NVXWUHKLSA-N 2 1 304.453 3.493 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235401865 1098996997 /nfs/dbraw/zinc/99/69/97/1098996997.db2.gz HZULMTDJRMPBRZ-IRXDYDNUSA-N 2 1 310.844 3.296 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401528 1098997294 /nfs/dbraw/zinc/99/72/94/1098997294.db2.gz GWDPDLCEELUMFX-RTBURBONSA-N 2 1 304.453 3.409 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001235401892 1098997480 /nfs/dbraw/zinc/99/74/80/1098997480.db2.gz IFZJLAMKHTWMFC-SJORKVTESA-N 2 1 310.844 3.296 20 0 DGADMP CCSc1ccccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403103 1098999521 /nfs/dbraw/zinc/99/95/21/1098999521.db2.gz ZMORTDLYBFDFFD-IAGOWNOFSA-N 2 1 308.466 3.322 20 0 DGADMP CCSc1ccccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403103 1098999534 /nfs/dbraw/zinc/99/95/34/1098999534.db2.gz ZMORTDLYBFDFFD-IAGOWNOFSA-N 2 1 308.466 3.322 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](CCCc1ccccc1Cl)C2 ZINC001235405475 1099001134 /nfs/dbraw/zinc/00/11/34/1099001134.db2.gz PCPVDYFWEFLHGG-IRXDYDNUSA-N 2 1 310.844 3.296 20 0 DGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001235405475 1099001146 /nfs/dbraw/zinc/00/11/46/1099001146.db2.gz PCPVDYFWEFLHGG-IRXDYDNUSA-N 2 1 310.844 3.296 20 0 DGADMP CCOc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC001235420747 1099012205 /nfs/dbraw/zinc/01/22/05/1099012205.db2.gz AOGBECUGQHXUBS-ROUUACIJSA-N 2 1 317.477 3.000 20 0 DGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)n[nH]1 ZINC001235420785 1099012726 /nfs/dbraw/zinc/01/27/26/1099012726.db2.gz BDDCWTPTQAPSFR-MOPGFXCFSA-N 2 1 324.472 3.288 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)NCCC2 ZINC001235420720 1099013586 /nfs/dbraw/zinc/01/35/86/1099013586.db2.gz AMUSPLOGDHTPJD-RBUKOAKNSA-N 2 1 313.489 3.256 20 0 DGADMP COc1ccc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235421442 1099014140 /nfs/dbraw/zinc/01/41/40/1099014140.db2.gz BWVAPOQRYCMZAM-SJORKVTESA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235422604 1099014522 /nfs/dbraw/zinc/01/45/22/1099014522.db2.gz DFCOENQSCRKUPH-CABCVRRESA-N 2 1 324.415 3.185 20 0 DGADMP CCOc1cc(O)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235423859 1099015507 /nfs/dbraw/zinc/01/55/07/1099015507.db2.gz GMWHUIXSHNRLJG-IRXDYDNUSA-N 2 1 318.461 3.003 20 0 DGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424072 1099017063 /nfs/dbraw/zinc/01/70/63/1099017063.db2.gz JLWQWRGACHNOAY-CABCVRRESA-N 2 1 308.416 3.219 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)c1F ZINC001235425396 1099017168 /nfs/dbraw/zinc/01/71/68/1099017168.db2.gz IZEQBVGKGDLZLL-CVEARBPZSA-N 2 1 308.416 3.485 20 0 DGADMP COc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424494 1099017949 /nfs/dbraw/zinc/01/79/49/1099017949.db2.gz IGSZOTYRPLDUOV-ZWKOTPCHSA-N 2 1 302.462 3.215 20 0 DGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426791 1099020042 /nfs/dbraw/zinc/02/00/42/1099020042.db2.gz LJZGCNHPYRYIRN-SJORKVTESA-N 2 1 311.473 3.390 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)cc1F ZINC001235428088 1099022233 /nfs/dbraw/zinc/02/22/33/1099022233.db2.gz OSEHJWSLIDGUSJ-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429151 1099022635 /nfs/dbraw/zinc/02/26/35/1099022635.db2.gz POLARPXHJMUDIE-SJORKVTESA-N 2 1 302.462 3.221 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235428341 1099023270 /nfs/dbraw/zinc/02/32/70/1099023270.db2.gz OEHLJMIENDUEFP-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432327 1099029219 /nfs/dbraw/zinc/02/92/19/1099029219.db2.gz XASSGLKGNFQWSF-ZIAGYGMSSA-N 2 1 324.415 3.185 20 0 DGADMP Cc1c(C[N@@H+](C)CC2CC[NH2+]CC2)cccc1C(F)(F)F ZINC001235432920 1099031436 /nfs/dbraw/zinc/03/14/36/1099031436.db2.gz ATOUYHQAWBOIAD-UHFFFAOYSA-N 2 1 300.368 3.445 20 0 DGADMP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC001235433764 1099032312 /nfs/dbraw/zinc/03/23/12/1099032312.db2.gz OZSAMTVJZXMGFW-UHFFFAOYSA-N 2 1 320.330 3.156 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@@H]2C1 ZINC001235620486 1099100593 /nfs/dbraw/zinc/10/05/93/1099100593.db2.gz FHKJPEHBPFIGSL-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-c3ccncc3)C[C@@H]2C1 ZINC001235620486 1099100595 /nfs/dbraw/zinc/10/05/95/1099100595.db2.gz FHKJPEHBPFIGSL-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3-c3ccncc3)C[C@@H]2C1 ZINC001235620486 1099100596 /nfs/dbraw/zinc/10/05/96/1099100596.db2.gz FHKJPEHBPFIGSL-KDURUIRLSA-N 2 1 307.441 3.132 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001277957836 1099103562 /nfs/dbraw/zinc/10/35/62/1099103562.db2.gz FAHAPDQEMRUWBE-ROUUACIJSA-N 2 1 310.526 3.372 20 0 DGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](CCCC[NH3+])CC[C@@H]21 ZINC001235636574 1099105382 /nfs/dbraw/zinc/10/53/82/1099105382.db2.gz HFYGXNQQMROKLS-HKUYNNGSSA-N 2 1 301.478 3.059 20 0 DGADMP Cc1ccccc1C[N@@H+](C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235664111 1099112126 /nfs/dbraw/zinc/11/21/26/1099112126.db2.gz YONBCAPYTIETKA-UHFFFAOYSA-N 2 1 309.457 3.037 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC001235664295 1099113015 /nfs/dbraw/zinc/11/30/15/1099113015.db2.gz QGTVDWHZEBNIMZ-SMDDNHRTSA-N 2 1 302.796 3.263 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001235664295 1099113018 /nfs/dbraw/zinc/11/30/18/1099113018.db2.gz QGTVDWHZEBNIMZ-SMDDNHRTSA-N 2 1 302.796 3.263 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CO1 ZINC001235672370 1099115606 /nfs/dbraw/zinc/11/56/06/1099115606.db2.gz BRWXUFLINITPMB-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CO1 ZINC001235672370 1099115609 /nfs/dbraw/zinc/11/56/09/1099115609.db2.gz BRWXUFLINITPMB-ROUUACIJSA-N 2 1 302.462 3.056 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235673119 1099116158 /nfs/dbraw/zinc/11/61/58/1099116158.db2.gz BMEXXQXFEFNACW-HXUWFJFHSA-N 2 1 322.452 3.294 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001235674280 1099118359 /nfs/dbraw/zinc/11/83/59/1099118359.db2.gz DWSBTUIXOCALHI-LJQANCHMSA-N 2 1 310.441 3.436 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235688618 1099129111 /nfs/dbraw/zinc/12/91/11/1099129111.db2.gz SENWSTNFFDYUAP-MJGOQNOKSA-N 2 1 302.462 3.228 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C[NH3+])cc3)C2)cc1 ZINC001235689221 1099129225 /nfs/dbraw/zinc/12/92/25/1099129225.db2.gz YPIDMHXPGNTXOS-HXUWFJFHSA-N 2 1 310.441 3.497 20 0 DGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001235692750 1099132300 /nfs/dbraw/zinc/13/23/00/1099132300.db2.gz QZSYLPVQLPKKTB-LJQANCHMSA-N 2 1 310.441 3.497 20 0 DGADMP COc1ccc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1F ZINC001235704997 1099138383 /nfs/dbraw/zinc/13/83/83/1099138383.db2.gz DOFRJZNWXBAINT-UHFFFAOYSA-N 2 1 324.415 3.185 20 0 DGADMP COc1ccc(F)c(F)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235705490 1099138395 /nfs/dbraw/zinc/13/83/95/1099138395.db2.gz JPLPRTMRGSDWSW-UHFFFAOYSA-N 2 1 324.415 3.185 20 0 DGADMP CCCOc1cc(F)ccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717543 1099143094 /nfs/dbraw/zinc/14/30/94/1099143094.db2.gz IWBZZIAGXFSTDZ-UHFFFAOYSA-N 2 1 308.441 3.436 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1[nH]nc2ccc(Cl)cc21 ZINC001235715718 1099143674 /nfs/dbraw/zinc/14/36/74/1099143674.db2.gz SMGVZFRQGXLTIV-UHFFFAOYSA-N 2 1 306.841 3.038 20 0 DGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1n[nH]c2ccc(Cl)cc21 ZINC001235715718 1099143685 /nfs/dbraw/zinc/14/36/85/1099143685.db2.gz SMGVZFRQGXLTIV-UHFFFAOYSA-N 2 1 306.841 3.038 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1n[nH]c2ccc(Cl)cc21 ZINC001235715718 1099143690 /nfs/dbraw/zinc/14/36/90/1099143690.db2.gz SMGVZFRQGXLTIV-UHFFFAOYSA-N 2 1 306.841 3.038 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235716701 1099144251 /nfs/dbraw/zinc/14/42/51/1099144251.db2.gz GZFXVUTYFSOUOA-UHFFFAOYSA-N 2 1 312.461 3.207 20 0 DGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235727340 1099150582 /nfs/dbraw/zinc/15/05/82/1099150582.db2.gz YDQWSIULTVZFOF-IBGZPJMESA-N 2 1 324.424 3.063 20 0 DGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235727340 1099150584 /nfs/dbraw/zinc/15/05/84/1099150584.db2.gz YDQWSIULTVZFOF-IBGZPJMESA-N 2 1 324.424 3.063 20 0 DGADMP c1ccc(C[C@@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)nc1 ZINC001235734345 1099154087 /nfs/dbraw/zinc/15/40/87/1099154087.db2.gz ARAVWSALHMJZFZ-IBGZPJMESA-N 2 1 301.478 3.401 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001235748506 1099163287 /nfs/dbraw/zinc/16/32/87/1099163287.db2.gz AXELVZWMLGFECK-HNNXBMFYSA-N 2 1 300.377 3.399 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001235748506 1099163291 /nfs/dbraw/zinc/16/32/91/1099163291.db2.gz AXELVZWMLGFECK-HNNXBMFYSA-N 2 1 300.377 3.399 20 0 DGADMP CC(C)(CO)C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277968424 1099179179 /nfs/dbraw/zinc/17/91/79/1099179179.db2.gz SBWTYFANVKZUJS-UHFFFAOYSA-N 2 1 308.510 3.126 20 0 DGADMP CC(C)Oc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc(OC(C)C)c1 ZINC001235839830 1099201917 /nfs/dbraw/zinc/20/19/17/1099201917.db2.gz ANYJVAFFDXAYHE-INIZCTEOSA-N 2 1 320.477 3.302 20 0 DGADMP CC(C)Oc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc(OC(C)C)c1 ZINC001235839830 1099201927 /nfs/dbraw/zinc/20/19/27/1099201927.db2.gz ANYJVAFFDXAYHE-INIZCTEOSA-N 2 1 320.477 3.302 20 0 DGADMP C[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccccc1C(F)(F)F ZINC001235838877 1099202440 /nfs/dbraw/zinc/20/24/40/1099202440.db2.gz DDFIQTNIGQHAHN-UHFFFAOYSA-N 2 1 323.362 3.242 20 0 DGADMP CC(C)Oc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc(OC(C)C)c1 ZINC001235839832 1099203468 /nfs/dbraw/zinc/20/34/68/1099203468.db2.gz ANYJVAFFDXAYHE-MRXNPFEDSA-N 2 1 320.477 3.302 20 0 DGADMP CC(C)Oc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc(OC(C)C)c1 ZINC001235839832 1099203474 /nfs/dbraw/zinc/20/34/74/1099203474.db2.gz ANYJVAFFDXAYHE-MRXNPFEDSA-N 2 1 320.477 3.302 20 0 DGADMP CCOc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235841316 1099205135 /nfs/dbraw/zinc/20/51/35/1099205135.db2.gz VLHLOPFNCLYNFJ-FUHWJXTLSA-N 2 1 318.461 3.337 20 0 DGADMP CCOc1ccc([C@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235841316 1099205141 /nfs/dbraw/zinc/20/51/41/1099205141.db2.gz VLHLOPFNCLYNFJ-FUHWJXTLSA-N 2 1 318.461 3.337 20 0 DGADMP C[N@@H+](Cc1cccn1-c1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842575 1099206101 /nfs/dbraw/zinc/20/61/01/1099206101.db2.gz OXMKUGRWEDLIQT-CQSZACIVSA-N 2 1 303.837 3.172 20 0 DGADMP C[N@H+](Cc1cccn1-c1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842575 1099206111 /nfs/dbraw/zinc/20/61/11/1099206111.db2.gz OXMKUGRWEDLIQT-CQSZACIVSA-N 2 1 303.837 3.172 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)ccc21 ZINC001235842321 1099207268 /nfs/dbraw/zinc/20/72/68/1099207268.db2.gz NSBARSPEFVQNDX-INIZCTEOSA-N 2 1 307.441 3.373 20 0 DGADMP Cc1nc2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2s1 ZINC001235852571 1099210049 /nfs/dbraw/zinc/21/00/49/1099210049.db2.gz OMRYCQJWNGYPHF-UHFFFAOYSA-N 2 1 324.453 3.322 20 0 DGADMP Fc1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001235864930 1099225395 /nfs/dbraw/zinc/22/53/95/1099225395.db2.gz LAPGWOMTDKIKEX-RHSMWYFYSA-N 2 1 308.466 3.305 20 0 DGADMP CC(C)c1cc(Br)cc(C[NH+]2CC(CC[NH3+])C2)c1 ZINC001235918556 1099255922 /nfs/dbraw/zinc/25/59/22/1099255922.db2.gz FXPBRMVGLSFIMU-UHFFFAOYSA-N 2 1 311.267 3.353 20 0 DGADMP C[N@@H+](CCCC[NH3+])C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001235923587 1099259455 /nfs/dbraw/zinc/25/94/55/1099259455.db2.gz KLUXJLSDSNCSLD-UHFFFAOYSA-N 2 1 323.484 3.131 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001235926313 1099263440 /nfs/dbraw/zinc/26/34/40/1099263440.db2.gz XMHCVLUOOCLYTO-LBPRGKRZSA-N 2 1 320.330 3.237 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)ccc21 ZINC001235935968 1099270538 /nfs/dbraw/zinc/27/05/38/1099270538.db2.gz FSYZDWDGMQFSAK-IRXDYDNUSA-N 2 1 319.452 3.373 20 0 DGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C(C)C ZINC001235938455 1099272460 /nfs/dbraw/zinc/27/24/60/1099272460.db2.gz KKZKASFPPAGGPI-DOTOQJQBSA-N 2 1 302.462 3.168 20 0 DGADMP CCc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939151 1099274563 /nfs/dbraw/zinc/27/45/63/1099274563.db2.gz NXSIPEUYTGXCIK-LSDHHAIUSA-N 2 1 323.278 3.053 20 0 DGADMP CCc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939151 1099274570 /nfs/dbraw/zinc/27/45/70/1099274570.db2.gz NXSIPEUYTGXCIK-LSDHHAIUSA-N 2 1 323.278 3.053 20 0 DGADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235939945 1099274981 /nfs/dbraw/zinc/27/49/81/1099274981.db2.gz RHGVRJIFJGRBOK-RTBURBONSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235941648 1099276585 /nfs/dbraw/zinc/27/65/85/1099276585.db2.gz WOJQOZOASCJKIR-MJGOQNOKSA-N 2 1 322.452 3.404 20 0 DGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235942873 1099276619 /nfs/dbraw/zinc/27/66/19/1099276619.db2.gz YLUOWCPJUNVXEY-ICSRJNTNSA-N 2 1 322.452 3.404 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950642 1099283333 /nfs/dbraw/zinc/28/33/33/1099283333.db2.gz JSVBVTMHVFNDGE-QGZVFWFLSA-N 2 1 312.498 3.212 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956997 1099288264 /nfs/dbraw/zinc/28/82/64/1099288264.db2.gz JHEZZRJQNDAQPX-GFCCVEGCSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956997 1099288267 /nfs/dbraw/zinc/28/82/67/1099288267.db2.gz JHEZZRJQNDAQPX-GFCCVEGCSA-N 2 1 320.330 3.156 20 0 DGADMP C[N@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)CC1CCCCC1 ZINC001235959950 1099291689 /nfs/dbraw/zinc/29/16/89/1099291689.db2.gz FNSAFMMIRMYILR-UHFFFAOYSA-N 2 1 315.505 3.104 20 0 DGADMP c1ccc(CO[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235959120 1099292435 /nfs/dbraw/zinc/29/24/35/1099292435.db2.gz UDSROBQJOGOQHO-MOPGFXCFSA-N 2 1 302.462 3.200 20 0 DGADMP CC[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccc(Cl)cc1 ZINC001235961516 1099293886 /nfs/dbraw/zinc/29/38/86/1099293886.db2.gz DUIXAFFVBGUNEK-UHFFFAOYSA-N 2 1 303.837 3.267 20 0 DGADMP c1ccc(OCC[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235972768 1099301054 /nfs/dbraw/zinc/30/10/54/1099301054.db2.gz BGRWHOWQPWLGMQ-UHFFFAOYSA-N 2 1 322.452 3.202 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008257 1099330651 /nfs/dbraw/zinc/33/06/51/1099330651.db2.gz DCSBADAPOBBFMS-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008257 1099330663 /nfs/dbraw/zinc/33/06/63/1099330663.db2.gz DCSBADAPOBBFMS-QUCCMNQESA-N 2 1 310.416 3.107 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)sc1C ZINC001236011153 1099334985 /nfs/dbraw/zinc/33/49/85/1099334985.db2.gz SXQDBURSENLLPA-MJGOQNOKSA-N 2 1 312.482 3.338 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(C)s1 ZINC001236012248 1099335129 /nfs/dbraw/zinc/33/51/29/1099335129.db2.gz GETNDDZNUYGSCF-MOPGFXCFSA-N 2 1 312.482 3.338 20 0 DGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001236012310 1099335515 /nfs/dbraw/zinc/33/55/15/1099335515.db2.gz HQWGWKBHIHLHBC-ZSXPUABSSA-N 2 1 310.485 3.452 20 0 DGADMP c1ccc(C2(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001236012849 1099336806 /nfs/dbraw/zinc/33/68/06/1099336806.db2.gz SEPUMGVXRPQXON-IRLDBZIGSA-N 2 1 318.464 3.191 20 0 DGADMP CO[C@@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001180208769 1099342025 /nfs/dbraw/zinc/34/20/25/1099342025.db2.gz QLHIZZCZFOLPDJ-HKUYNNGSSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCc2cccc(Br)c2)C1 ZINC001236043666 1099345516 /nfs/dbraw/zinc/34/55/16/1099345516.db2.gz CSFPTKQLEIBLHK-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001236043666 1099345529 /nfs/dbraw/zinc/34/55/29/1099345529.db2.gz CSFPTKQLEIBLHK-IUODEOHRSA-N 2 1 311.267 3.051 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204263247 1099361232 /nfs/dbraw/zinc/36/12/32/1099361232.db2.gz IUZNIVVCCFXWKK-SFHVURJKSA-N 2 1 320.477 3.018 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3)s2)C1 ZINC001236067132 1099366212 /nfs/dbraw/zinc/36/62/12/1099366212.db2.gz MHUUIHJURKDAMM-CQSZACIVSA-N 2 1 316.470 3.465 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC001236068937 1099367942 /nfs/dbraw/zinc/36/79/42/1099367942.db2.gz ZBMIGFKXZVYLCU-KRWDZBQOSA-N 2 1 310.441 3.404 20 0 DGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236070725 1099370557 /nfs/dbraw/zinc/37/05/57/1099370557.db2.gz AWGMICGJJXNCQY-QGZVFWFLSA-N 2 1 321.468 3.043 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236092039 1099380777 /nfs/dbraw/zinc/38/07/77/1099380777.db2.gz DZABZWVIMWWNPW-RBUKOAKNSA-N 2 1 316.489 3.339 20 0 DGADMP COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)CC2C[NH2+]C2)cc1 ZINC001236106364 1099393940 /nfs/dbraw/zinc/39/39/40/1099393940.db2.gz DEYPXRNAFFKSDD-QGZVFWFLSA-N 2 1 324.468 3.348 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC=C(C)C ZINC001180372862 1099400723 /nfs/dbraw/zinc/40/07/23/1099400723.db2.gz JNZORFDXWLDUNW-GOSISDBHSA-N 2 1 323.525 3.093 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1cc(F)c(Br)cc1Cl ZINC001236141060 1099403043 /nfs/dbraw/zinc/40/30/43/1099403043.db2.gz FARZESLSFVYIKL-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@@H+](C)CCCCCC[NH3+] ZINC001236152568 1099434590 /nfs/dbraw/zinc/43/45/90/1099434590.db2.gz SHXSIJBSRMRIPH-ICSRJNTNSA-N 2 1 317.521 3.348 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001204271789 1099445849 /nfs/dbraw/zinc/44/58/49/1099445849.db2.gz QNMIUMDSMGYRKO-MRXNPFEDSA-N 2 1 302.462 3.392 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC001236177574 1099448065 /nfs/dbraw/zinc/44/80/65/1099448065.db2.gz CIQNDHVGKZMRTM-FQEVSTJZSA-N 2 1 315.505 3.246 20 0 DGADMP [NH3+]CCCCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001236177574 1099448071 /nfs/dbraw/zinc/44/80/71/1099448071.db2.gz CIQNDHVGKZMRTM-FQEVSTJZSA-N 2 1 315.505 3.246 20 0 DGADMP [NH3+]CCCCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001236177574 1099448077 /nfs/dbraw/zinc/44/80/77/1099448077.db2.gz CIQNDHVGKZMRTM-FQEVSTJZSA-N 2 1 315.505 3.246 20 0 DGADMP CC1(C[N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001236181124 1099451007 /nfs/dbraw/zinc/45/10/07/1099451007.db2.gz FLCCRPZBOIMQQL-INIZCTEOSA-N 2 1 308.853 3.103 20 0 DGADMP CC1(C[N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001236181124 1099451012 /nfs/dbraw/zinc/45/10/12/1099451012.db2.gz FLCCRPZBOIMQQL-INIZCTEOSA-N 2 1 308.853 3.103 20 0 DGADMP CCC[N@H+](Cc1cc(OC)ccc1OCC)C1CC[NH2+]CC1 ZINC001236184398 1099452175 /nfs/dbraw/zinc/45/21/75/1099452175.db2.gz KVPUXFDVFLXDHG-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCC[N@@H+](Cc1cc(OC)ccc1OCC)C1CC[NH2+]CC1 ZINC001236184398 1099452179 /nfs/dbraw/zinc/45/21/79/1099452179.db2.gz KVPUXFDVFLXDHG-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001236181822 1099453107 /nfs/dbraw/zinc/45/31/07/1099453107.db2.gz HCTQZFUCTXLOLO-UHFFFAOYSA-N 2 1 316.367 3.375 20 0 DGADMP CCC[N@H+](Cc1cc(F)cc2c1OCCC2)C1CC[NH2+]CC1 ZINC001236185013 1099455022 /nfs/dbraw/zinc/45/50/22/1099455022.db2.gz RTCIDJADRZGFIP-UHFFFAOYSA-N 2 1 306.425 3.115 20 0 DGADMP CCC[N@@H+](Cc1cc(F)cc2c1OCCC2)C1CC[NH2+]CC1 ZINC001236185013 1099455030 /nfs/dbraw/zinc/45/50/30/1099455030.db2.gz RTCIDJADRZGFIP-UHFFFAOYSA-N 2 1 306.425 3.115 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236198255 1099458904 /nfs/dbraw/zinc/45/89/04/1099458904.db2.gz ALDJTUXJEVFCCJ-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001236211928 1099467406 /nfs/dbraw/zinc/46/74/06/1099467406.db2.gz ADZADIHQOJZIFU-OOHWJJMZSA-N 2 1 318.461 3.056 20 0 DGADMP C[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215086 1099471642 /nfs/dbraw/zinc/47/16/42/1099471642.db2.gz HFUONXAJTKGSGZ-WBVHZDCISA-N 2 1 318.852 3.227 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215086 1099471650 /nfs/dbraw/zinc/47/16/50/1099471650.db2.gz HFUONXAJTKGSGZ-WBVHZDCISA-N 2 1 318.852 3.227 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001180604000 1099471823 /nfs/dbraw/zinc/47/18/23/1099471823.db2.gz ZCGJTYJNHYQTCF-SFHVURJKSA-N 2 1 316.493 3.305 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(OC)ccc2OC(C)C)CC1 ZINC001236216292 1099471948 /nfs/dbraw/zinc/47/19/48/1099471948.db2.gz XHFFWOGMEAUBEA-UHFFFAOYSA-N 2 1 320.477 3.445 20 0 DGADMP Cc1c(Br)cccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219579 1099477953 /nfs/dbraw/zinc/47/79/53/1099477953.db2.gz WGCMQQNRXPWREC-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1c(Br)cccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219579 1099477964 /nfs/dbraw/zinc/47/79/64/1099477964.db2.gz WGCMQQNRXPWREC-LSDHHAIUSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219670 1099478114 /nfs/dbraw/zinc/47/81/14/1099478114.db2.gz XHVIFAPJCKTDNR-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219670 1099478118 /nfs/dbraw/zinc/47/81/18/1099478118.db2.gz XHVIFAPJCKTDNR-HUUCEWRRSA-N 2 1 311.267 3.459 20 0 DGADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227763 1099483801 /nfs/dbraw/zinc/48/38/01/1099483801.db2.gz MERDEYDANUHXOL-UHFFFAOYSA-N 3 1 303.494 3.278 20 0 DGADMP OCCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001236242101 1099497752 /nfs/dbraw/zinc/49/77/52/1099497752.db2.gz VWKLTANQINVQOG-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001236242101 1099497759 /nfs/dbraw/zinc/49/77/59/1099497759.db2.gz VWKLTANQINVQOG-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP OCCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001236242101 1099497765 /nfs/dbraw/zinc/49/77/65/1099497765.db2.gz VWKLTANQINVQOG-FQEVSTJZSA-N 2 1 316.489 3.137 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001236305046 1099525141 /nfs/dbraw/zinc/52/51/41/1099525141.db2.gz RKNLFGKEFIJZRO-PKOBYXMFSA-N 2 1 316.489 3.339 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC001236305606 1099525985 /nfs/dbraw/zinc/52/59/85/1099525985.db2.gz ZNYFXTVQNMTQSI-GOSISDBHSA-N 2 1 304.478 3.469 20 0 DGADMP Clc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c21 ZINC001236319748 1099533108 /nfs/dbraw/zinc/53/31/08/1099533108.db2.gz FAWRVYAOVBAUIG-BETUJISGSA-N 2 1 303.837 3.253 20 0 DGADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)ccn1 ZINC001236321271 1099533543 /nfs/dbraw/zinc/53/35/43/1099533543.db2.gz ZAGXFLLQVWPODB-BGYRXZFFSA-N 2 1 307.441 3.180 20 0 DGADMP c1csc(-c2cccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2)n1 ZINC001236320673 1099533581 /nfs/dbraw/zinc/53/35/81/1099533581.db2.gz UDOJRGICESCOIG-CALCHBBNSA-N 2 1 313.470 3.242 20 0 DGADMP COc1cccc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001236337314 1099546352 /nfs/dbraw/zinc/54/63/52/1099546352.db2.gz ZXEQRGVVCTWADB-WMZOPIPTSA-N 2 1 302.462 3.264 20 0 DGADMP CC[C@@H](CCC(=O)OC)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372706 1099557761 /nfs/dbraw/zinc/55/77/61/1099557761.db2.gz SZSDEQPRJAMKRV-IRXDYDNUSA-N 2 1 324.509 3.210 20 0 DGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1COC2 ZINC001236373649 1099558125 /nfs/dbraw/zinc/55/81/25/1099558125.db2.gz ITVUESKJIUPCFS-QGZVFWFLSA-N 2 1 314.473 3.461 20 0 DGADMP c1cc2c(c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c1)NCC2 ZINC001236374978 1099560977 /nfs/dbraw/zinc/56/09/77/1099560977.db2.gz HNPNNWHIHHEYHS-INIZCTEOSA-N 2 1 313.489 3.399 20 0 DGADMP Nc1c(F)cccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374882 1099561765 /nfs/dbraw/zinc/56/17/65/1099561765.db2.gz GBJSYKGZMMDSCG-CQSZACIVSA-N 2 1 305.441 3.152 20 0 DGADMP CCc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)nc1 ZINC001236375971 1099564779 /nfs/dbraw/zinc/56/47/79/1099564779.db2.gz NSPQAUWLLLWBSI-QGZVFWFLSA-N 2 1 301.478 3.388 20 0 DGADMP Oc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236376040 1099564836 /nfs/dbraw/zinc/56/48/36/1099564836.db2.gz OKQUETLKCLIJGF-CQSZACIVSA-N 2 1 306.425 3.276 20 0 DGADMP Oc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236376040 1099564847 /nfs/dbraw/zinc/56/48/47/1099564847.db2.gz OKQUETLKCLIJGF-CQSZACIVSA-N 2 1 306.425 3.276 20 0 DGADMP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236408824 1099581180 /nfs/dbraw/zinc/58/11/80/1099581180.db2.gz OIQKGPHLJYJHJY-CYBMUJFWSA-N 2 1 316.367 3.325 20 0 DGADMP CC[N@H+](Cc1cc(Br)c(C)s1)C[C@H]1CC[NH2+]C1 ZINC001236408026 1099581689 /nfs/dbraw/zinc/58/16/89/1099581689.db2.gz JWIDBTLRRZVSGW-NSHDSACASA-N 2 1 317.296 3.250 20 0 DGADMP CC(C)(C)C[N@H+](Cc1scc2c1OCCO2)C1CC[NH2+]CC1 ZINC001236456714 1099619471 /nfs/dbraw/zinc/61/94/71/1099619471.db2.gz GEBBTDSAIZWPLV-UHFFFAOYSA-N 2 1 324.490 3.119 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1scc2c1OCCO2)C1CC[NH2+]CC1 ZINC001236456714 1099619474 /nfs/dbraw/zinc/61/94/74/1099619474.db2.gz GEBBTDSAIZWPLV-UHFFFAOYSA-N 2 1 324.490 3.119 20 0 DGADMP COc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1OC ZINC001236456855 1099619864 /nfs/dbraw/zinc/61/98/64/1099619864.db2.gz HSZFMCZMMBGNAN-UHFFFAOYSA-N 2 1 320.477 3.304 20 0 DGADMP [NH3+]CCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453422 1099620315 /nfs/dbraw/zinc/62/03/15/1099620315.db2.gz QWMUJPDLQKMRNW-UHFFFAOYSA-N 3 1 309.885 3.023 20 0 DGADMP CCOc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(C)n1 ZINC001236458554 1099623550 /nfs/dbraw/zinc/62/35/50/1099623550.db2.gz WVAVOJZWBDMBRD-UHFFFAOYSA-N 2 1 319.493 3.389 20 0 DGADMP COc1cccc2c(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)ccnc12 ZINC001236470895 1099629806 /nfs/dbraw/zinc/62/98/06/1099629806.db2.gz RQZZIRUSUYCEHD-MRXNPFEDSA-N 2 1 313.445 3.206 20 0 DGADMP COc1cccc2c(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)ccnc12 ZINC001236470895 1099629809 /nfs/dbraw/zinc/62/98/09/1099629809.db2.gz RQZZIRUSUYCEHD-MRXNPFEDSA-N 2 1 313.445 3.206 20 0 DGADMP CC[C@H](C)C[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001236517085 1099656295 /nfs/dbraw/zinc/65/62/95/1099656295.db2.gz PCBPMZAFLKNIFL-AWEZNQCLSA-N 2 1 308.441 3.434 20 0 DGADMP CCC1(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)COC1 ZINC001236518780 1099656329 /nfs/dbraw/zinc/65/63/29/1099656329.db2.gz XDXXXWGWIHYCQB-UHFFFAOYSA-N 2 1 320.452 3.115 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)C[C@@H]2CCCCO2)CC1 ZINC001236534190 1099669324 /nfs/dbraw/zinc/66/93/24/1099669324.db2.gz RHWKEQLWWVQNAU-BZSNNMDCSA-N 2 1 320.452 3.467 20 0 DGADMP Nc1nccc(Cl)c1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541650 1099672782 /nfs/dbraw/zinc/67/27/82/1099672782.db2.gz IEUHLCFGSFCJOF-HDJSIYSDSA-N 2 1 322.884 3.189 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(O)cc2F)CC2CCC2)CC1 ZINC001236542920 1099673151 /nfs/dbraw/zinc/67/31/51/1099673151.db2.gz XIZQQPUOXGPBFR-WKILWMFISA-N 2 1 306.425 3.403 20 0 DGADMP COc1ccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236565730 1099680095 /nfs/dbraw/zinc/68/00/95/1099680095.db2.gz OJSYYMHLXVMURS-SAABIXHNSA-N 2 1 317.477 3.495 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCC[NH2+]C2)C2CCCCC2)CC1 ZINC001236565480 1099680347 /nfs/dbraw/zinc/68/03/47/1099680347.db2.gz HTZMVPLSNOEEHD-ZHALLVOQSA-N 3 1 307.526 3.281 20 0 DGADMP Nc1cccnc1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565470 1099681042 /nfs/dbraw/zinc/68/10/42/1099681042.db2.gz HNPUEYUKABPHOX-KOMQPUFPSA-N 2 1 302.466 3.068 20 0 DGADMP COc1ncccc1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565663 1099681232 /nfs/dbraw/zinc/68/12/32/1099681232.db2.gz LSHNMXRLRQDXSK-SAABIXHNSA-N 2 1 317.477 3.495 20 0 DGADMP Nc1ccc(F)c(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236572504 1099685397 /nfs/dbraw/zinc/68/53/97/1099685397.db2.gz NPXAMNDIEQVEJT-AULYBMBSSA-N 2 1 309.404 3.171 20 0 DGADMP COc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1Cl ZINC001236597855 1099693611 /nfs/dbraw/zinc/69/36/11/1099693611.db2.gz GIFYKGDUSSYTFH-CQSZACIVSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1Cl ZINC001236597855 1099693613 /nfs/dbraw/zinc/69/36/13/1099693613.db2.gz GIFYKGDUSSYTFH-CQSZACIVSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236599692 1099695596 /nfs/dbraw/zinc/69/55/96/1099695596.db2.gz VTGJPGJVFDHBHQ-MRXNPFEDSA-N 2 1 324.472 3.349 20 0 DGADMP CCOc1c(F)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236599231 1099695701 /nfs/dbraw/zinc/69/57/01/1099695701.db2.gz ANTICMJKZFMZLC-CYBMUJFWSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1c(F)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236599231 1099695703 /nfs/dbraw/zinc/69/57/03/1099695703.db2.gz ANTICMJKZFMZLC-CYBMUJFWSA-N 2 1 324.415 3.328 20 0 DGADMP CCOc1ccc(C)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599563 1099695863 /nfs/dbraw/zinc/69/58/63/1099695863.db2.gz SIZZKGCTIJJODH-MRXNPFEDSA-N 2 1 302.462 3.358 20 0 DGADMP CCOc1ccc(C)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599563 1099695865 /nfs/dbraw/zinc/69/58/65/1099695865.db2.gz SIZZKGCTIJJODH-MRXNPFEDSA-N 2 1 302.462 3.358 20 0 DGADMP Fc1cccc2c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c[nH]c21 ZINC001236598626 1099695890 /nfs/dbraw/zinc/69/58/90/1099695890.db2.gz LWSBDYCJYSPBKI-ZDUSSCGKSA-N 2 1 301.409 3.271 20 0 DGADMP COc1ccc2oc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)cc2c1 ZINC001236599155 1099696008 /nfs/dbraw/zinc/69/60/08/1099696008.db2.gz RLYFHHRZLQJHQW-AWEZNQCLSA-N 2 1 314.429 3.405 20 0 DGADMP COc1c(Cl)cccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236600071 1099697582 /nfs/dbraw/zinc/69/75/82/1099697582.db2.gz YPDGKBZLOHYXPF-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP COc1c(Cl)cccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236600071 1099697583 /nfs/dbraw/zinc/69/75/83/1099697583.db2.gz YPDGKBZLOHYXPF-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cc(Cl)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236601623 1099697820 /nfs/dbraw/zinc/69/78/20/1099697820.db2.gz NVBXWWJIMUNBBN-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP COc1cc(Cl)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236601623 1099697823 /nfs/dbraw/zinc/69/78/23/1099697823.db2.gz NVBXWWJIMUNBBN-CYBMUJFWSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc2sc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001236668655 1099734640 /nfs/dbraw/zinc/73/46/40/1099734640.db2.gz WSGRXVXEZMNQSK-SFHVURJKSA-N 2 1 316.470 3.438 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001236756545 1099771033 /nfs/dbraw/zinc/77/10/33/1099771033.db2.gz YGGSWCJCZDMCND-GUDVDZBRSA-N 3 1 307.526 3.138 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2O)CC2CCCCC2)CC1 ZINC001236759613 1099772600 /nfs/dbraw/zinc/77/26/00/1099772600.db2.gz XUVRHUHFNPDXGZ-IYARVYRRSA-N 2 1 317.477 3.439 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2O)CC2CCCCC2)CC1 ZINC001236759613 1099772606 /nfs/dbraw/zinc/77/26/06/1099772606.db2.gz XUVRHUHFNPDXGZ-IYARVYRRSA-N 2 1 317.477 3.439 20 0 DGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236818192 1099805540 /nfs/dbraw/zinc/80/55/40/1099805540.db2.gz GVDZHHGHVYCWEP-IEZWGBDMSA-N 2 1 310.441 3.408 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(COc4ccccc4)cc3)C[C@@H]12 ZINC001236831821 1099817962 /nfs/dbraw/zinc/81/79/62/1099817962.db2.gz RPMCXFLOKLDWRZ-CEWLAPEOSA-N 2 1 322.452 3.435 20 0 DGADMP CCC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833406 1099820069 /nfs/dbraw/zinc/82/00/69/1099820069.db2.gz ASDZBQGSZUPBGC-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP CCC[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835310 1099820259 /nfs/dbraw/zinc/82/02/59/1099820259.db2.gz KWRNQAHUCMXJJM-OAHLLOKOSA-N 2 1 312.404 3.152 20 0 DGADMP CCC[N@H+](Cc1ccccc1N1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC001236836886 1099822982 /nfs/dbraw/zinc/82/29/82/1099822982.db2.gz YXSTVPMUNZUWTA-SFHVURJKSA-N 2 1 315.505 3.498 20 0 DGADMP CC[N@@H+](Cc1ccccc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236887114 1099851210 /nfs/dbraw/zinc/85/12/10/1099851210.db2.gz LELMKGCHYFZYMI-UHFFFAOYSA-N 2 1 323.484 3.461 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)c2)CC1 ZINC001236888226 1099852146 /nfs/dbraw/zinc/85/21/46/1099852146.db2.gz AAHWUEYCOSAYGM-UYAOXDASSA-N 2 1 313.489 3.203 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@H]1O ZINC001236913808 1099875153 /nfs/dbraw/zinc/87/51/53/1099875153.db2.gz ODZJERGALQXAFM-SUMWQHHRSA-N 2 1 319.836 3.119 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@H]1O ZINC001236913805 1099875229 /nfs/dbraw/zinc/87/52/29/1099875229.db2.gz ODZJERGALQXAFM-CXAGYDPISA-N 2 1 319.836 3.119 20 0 DGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001236918104 1099876238 /nfs/dbraw/zinc/87/62/38/1099876238.db2.gz XJZKJPFABUAOAK-RHSMWYFYSA-N 2 1 317.820 3.137 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](CCc3ccccc3)C2)O1 ZINC001236951049 1099888259 /nfs/dbraw/zinc/88/82/59/1099888259.db2.gz SWNAVISJQHFRQX-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](CCc3ccccc3)C2)O1 ZINC001236951049 1099888269 /nfs/dbraw/zinc/88/82/69/1099888269.db2.gz SWNAVISJQHFRQX-MSOLQXFVSA-N 2 1 302.462 3.056 20 0 DGADMP C[NH+]1CCN(c2cc(C[NH+]3CCC(C)(C)CC3)ccc2F)CC1 ZINC001236963798 1099893866 /nfs/dbraw/zinc/89/38/66/1099893866.db2.gz MXJYFBPYORLXSR-UHFFFAOYSA-N 2 1 319.468 3.200 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(CC[NH+]1CCCC1)C2 ZINC001278056055 1099982041 /nfs/dbraw/zinc/98/20/41/1099982041.db2.gz SZWLPCDSUPAIRR-ZCNNSNEGSA-N 2 1 321.553 3.305 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(CC[NH+]1CCCC1)C2 ZINC001278056053 1099982422 /nfs/dbraw/zinc/98/24/22/1099982422.db2.gz SZWLPCDSUPAIRR-AQNXPRMDSA-N 2 1 321.553 3.305 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152101 1100001306 /nfs/dbraw/zinc/00/13/06/1100001306.db2.gz JRMJSNKVGMTQEW-GOSISDBHSA-N 2 1 315.848 3.416 20 0 DGADMP CCN1CCc2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc21 ZINC001237162996 1100011824 /nfs/dbraw/zinc/01/18/24/1100011824.db2.gz ZXXOEXJOKSQABS-IBGZPJMESA-N 2 1 313.489 3.176 20 0 DGADMP CCN1CCc2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc21 ZINC001237162996 1100011834 /nfs/dbraw/zinc/01/18/34/1100011834.db2.gz ZXXOEXJOKSQABS-IBGZPJMESA-N 2 1 313.489 3.176 20 0 DGADMP C(C[NH+]1CCCC1)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001278060700 1100015745 /nfs/dbraw/zinc/01/57/45/1100015745.db2.gz XCHCJIFXTOIVSK-UHFFFAOYSA-N 2 1 319.537 3.203 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc3cccccc1-3)CC2 ZINC001237182423 1100017746 /nfs/dbraw/zinc/01/77/46/1100017746.db2.gz IFGYOHMMRASKIV-UHFFFAOYSA-N 2 1 323.440 3.421 20 0 DGADMP S=C1C=COC1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001237186780 1100024041 /nfs/dbraw/zinc/02/40/41/1100024041.db2.gz QGEOBCUVSXTHJL-IYBDPMFKSA-N 2 1 314.454 3.132 20 0 DGADMP S=C1C=COC1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001237186780 1100024048 /nfs/dbraw/zinc/02/40/48/1100024048.db2.gz QGEOBCUVSXTHJL-IYBDPMFKSA-N 2 1 314.454 3.132 20 0 DGADMP S=C1C=COC1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001237186780 1100024052 /nfs/dbraw/zinc/02/40/52/1100024052.db2.gz QGEOBCUVSXTHJL-IYBDPMFKSA-N 2 1 314.454 3.132 20 0 DGADMP C[NH2+]CCC[N@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC001237203217 1100029939 /nfs/dbraw/zinc/02/99/39/1100029939.db2.gz CMFMDBVRYRZIRQ-UHFFFAOYSA-N 2 1 309.251 3.148 20 0 DGADMP C[NH2+]CCC[N@@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC001237203217 1100029943 /nfs/dbraw/zinc/02/99/43/1100029943.db2.gz CMFMDBVRYRZIRQ-UHFFFAOYSA-N 2 1 309.251 3.148 20 0 DGADMP Clc1ccc2c(c1)[C@H]1C[N@H+](CCC3CC[NH2+]CC3)CC[C@H]1N2 ZINC001237228432 1100042097 /nfs/dbraw/zinc/04/20/97/1100042097.db2.gz AQGIERMGEVVDLL-SJLPKXTDSA-N 2 1 319.880 3.313 20 0 DGADMP CC1(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]CC1 ZINC001237234267 1100042577 /nfs/dbraw/zinc/04/25/77/1100042577.db2.gz LTPKGELRCBHEGD-RDJZCZTQSA-N 2 1 319.880 3.313 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@H]3CCCC[NH2+]3)CC[C@H]1N2 ZINC001237237471 1100043818 /nfs/dbraw/zinc/04/38/18/1100043818.db2.gz VLGIJYUSVODXNP-UWWQBHOKSA-N 2 1 319.880 3.456 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@H]3CCCC[NH2+]3)CC[C@H]1N2 ZINC001237237471 1100043824 /nfs/dbraw/zinc/04/38/24/1100043824.db2.gz VLGIJYUSVODXNP-UWWQBHOKSA-N 2 1 319.880 3.456 20 0 DGADMP FC1(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH2+]CC1 ZINC001237237463 1100043839 /nfs/dbraw/zinc/04/38/39/1100043839.db2.gz VHLZYKKCWHUBSQ-HOCLYGCPSA-N 2 1 323.843 3.015 20 0 DGADMP c1cncc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237394831 1100108819 /nfs/dbraw/zinc/10/88/19/1100108819.db2.gz WKFBZYNFPGGMLR-PMACEKPBSA-N 2 1 307.441 3.323 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2)nc1 ZINC001237405552 1100113935 /nfs/dbraw/zinc/11/39/35/1100113935.db2.gz RHGWXNZLPRQHJX-AZUAARDMSA-N 2 1 307.441 3.323 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237405478 1100114013 /nfs/dbraw/zinc/11/40/13/1100114013.db2.gz QRVKBFKWKLXQBX-FUHWJXTLSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237405478 1100114017 /nfs/dbraw/zinc/11/40/17/1100114017.db2.gz QRVKBFKWKLXQBX-FUHWJXTLSA-N 2 1 302.462 3.438 20 0 DGADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2O1 ZINC001237408419 1100116187 /nfs/dbraw/zinc/11/61/87/1100116187.db2.gz ZWTOKTOFDYJTGB-QZTJIDSGSA-N 2 1 314.473 3.364 20 0 DGADMP CC1(C)CCc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2O1 ZINC001237408419 1100116190 /nfs/dbraw/zinc/11/61/90/1100116190.db2.gz ZWTOKTOFDYJTGB-QZTJIDSGSA-N 2 1 314.473 3.364 20 0 DGADMP CCc1[nH]ncc1C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001237654179 1100206402 /nfs/dbraw/zinc/20/64/02/1100206402.db2.gz YMLULVBZSBYXDP-UHFFFAOYSA-N 2 1 318.509 3.306 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@H](O)C3)cc21 ZINC001237880949 1100280628 /nfs/dbraw/zinc/28/06/28/1100280628.db2.gz KQNDIGDLOOJEQC-KRWDZBQOSA-N 2 1 300.446 3.035 20 0 DGADMP CC[N@@H+](Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2)CC(C)(C)O ZINC001237886672 1100281815 /nfs/dbraw/zinc/28/18/15/1100281815.db2.gz PQTLOUAXDDCXKG-UHFFFAOYSA-N 2 1 302.462 3.281 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCCOCc3ccccc3)CC2)C1 ZINC001278172672 1100315410 /nfs/dbraw/zinc/31/54/10/1100315410.db2.gz BJGVPMXZEBGLAL-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1C ZINC001238071482 1100350918 /nfs/dbraw/zinc/35/09/18/1100350918.db2.gz LEYINWGRUZMRLT-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP C[C@H]1CN(Cc2cccc3c[nH+]cn32)CC[N@H+]1C1CCCCC1 ZINC001238111568 1100365830 /nfs/dbraw/zinc/36/58/30/1100365830.db2.gz XOQKBVMVILCYIE-INIZCTEOSA-N 2 1 312.461 3.173 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCCOCc2ccccc2)CC1 ZINC001205546267 1100376548 /nfs/dbraw/zinc/37/65/48/1100376548.db2.gz TXMDNTHGFUIPGL-GOSISDBHSA-N 2 1 308.441 3.136 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3cccc(-c4cccs4)n3)C[C@H]2C1 ZINC001238212602 1100394032 /nfs/dbraw/zinc/39/40/32/1100394032.db2.gz BOLBNLRKEXPMSA-GASCZTMLSA-N 2 1 313.470 3.194 20 0 DGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213758 1100394985 /nfs/dbraw/zinc/39/49/85/1100394985.db2.gz NVBFRJADRYOHFU-GOSISDBHSA-N 2 1 313.470 3.338 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3([C@H]4CCCCO4)CCC3)CC[C@@H]21 ZINC001191521140 1100477908 /nfs/dbraw/zinc/47/79/08/1100477908.db2.gz MYLPGIIZIGWXQJ-FGTMMUONSA-N 2 1 306.494 3.142 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205570783 1100517454 /nfs/dbraw/zinc/51/74/54/1100517454.db2.gz ORUHZRREHTXOAZ-OAHLLOKOSA-N 2 1 318.795 3.141 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(OC(C)C)c(C)c3)C[C@H]2C1 ZINC001238754441 1100521053 /nfs/dbraw/zinc/52/10/53/1100521053.db2.gz IKOYXYDCJHTPHM-RTBURBONSA-N 2 1 316.489 3.474 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690404 1100651844 /nfs/dbraw/zinc/65/18/44/1100651844.db2.gz RKFFXXCWFKMSKQ-DLBZAZTESA-N 2 1 312.885 3.329 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001192690404 1100651847 /nfs/dbraw/zinc/65/18/47/1100651847.db2.gz RKFFXXCWFKMSKQ-DLBZAZTESA-N 2 1 312.885 3.329 20 0 DGADMP C[NH+](C)Cc1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001239685156 1100725397 /nfs/dbraw/zinc/72/53/97/1100725397.db2.gz WZDAIEKZNJGPGV-UHFFFAOYSA-N 2 1 310.441 3.247 20 0 DGADMP C[NH+]1CCN(Cc2ccc(-c3cccc4c3CC[C@H]4[NH3+])cc2)CC1 ZINC001240408449 1100982479 /nfs/dbraw/zinc/98/24/79/1100982479.db2.gz JWZOIHCQROWRSG-OAQYLSRUSA-N 2 1 321.468 3.047 20 0 DGADMP CC(C)([NH3+])c1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240477876 1101015648 /nfs/dbraw/zinc/01/56/48/1101015648.db2.gz ZPQZTDOOBPTPSE-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP c1ccc(C[N@H+]2CCc3nc(C4=CCC[NH2+]C4)ccc3C2)cc1 ZINC001240649962 1101083078 /nfs/dbraw/zinc/08/30/78/1101083078.db2.gz AMSYCBRCZZKWJJ-UHFFFAOYSA-N 2 1 305.425 3.017 20 0 DGADMP Fc1cccc(F)c1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195537093 1101155874 /nfs/dbraw/zinc/15/58/74/1101155874.db2.gz YDJHWNGXFPFXGO-UHFFFAOYSA-N 2 1 317.383 3.115 20 0 DGADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001195569343 1101161994 /nfs/dbraw/zinc/16/19/94/1101161994.db2.gz XIGKIIMPVPJNDN-TVPLGVNVSA-N 2 1 310.526 3.227 20 0 DGADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001195569342 1101162082 /nfs/dbraw/zinc/16/20/82/1101162082.db2.gz XIGKIIMPVPJNDN-FAFZWHIHSA-N 2 1 310.526 3.227 20 0 DGADMP C[C@H]([NH3+])c1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cn1 ZINC001240868310 1101164704 /nfs/dbraw/zinc/16/47/04/1101164704.db2.gz FBSMHOIOCCSCHW-HNNXBMFYSA-N 2 1 323.440 3.090 20 0 DGADMP C[NH2+]Cc1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001240866859 1101165103 /nfs/dbraw/zinc/16/51/03/1101165103.db2.gz OKNLESGHPGZANT-UHFFFAOYSA-N 2 1 322.452 3.394 20 0 DGADMP COc1c(C)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1C ZINC001241016871 1101222013 /nfs/dbraw/zinc/22/20/13/1101222013.db2.gz RNKSJUIUSIYJBW-UHFFFAOYSA-N 2 1 307.397 3.314 20 0 DGADMP Cc1cc(N(C)C)[nH+]cc1-c1cnc2[nH]cc(C[NH+](C)C)c2c1 ZINC001241252230 1101322931 /nfs/dbraw/zinc/32/29/31/1101322931.db2.gz QAJCNRILUGBZJD-UHFFFAOYSA-N 2 1 309.417 3.061 20 0 DGADMP C[N@@H+]1CC=C(c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001241330066 1101380458 /nfs/dbraw/zinc/38/04/58/1101380458.db2.gz HTIHXGYGTDRQTI-RTBURBONSA-N 2 1 300.446 3.192 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc4nc[nH]c4c3)cc2)CC1 ZINC001241703440 1101648298 /nfs/dbraw/zinc/64/82/98/1101648298.db2.gz JYXCNYIUZMGIFN-UHFFFAOYSA-N 2 1 320.440 3.401 20 0 DGADMP COc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1Cl ZINC001241733591 1101667096 /nfs/dbraw/zinc/66/70/96/1101667096.db2.gz QJKPSLPPFXJMBU-UHFFFAOYSA-N 2 1 313.788 3.350 20 0 DGADMP c1ccc(-c2ccc([C@H]3CCC[NH2+]3)cn2)c(C[NH+]2CCOCC2)c1 ZINC001241984436 1101830979 /nfs/dbraw/zinc/83/09/79/1101830979.db2.gz NINMLHBWEDWYGE-LJQANCHMSA-N 2 1 323.440 3.005 20 0 DGADMP Cc1cc2[nH]ncc2cc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242285894 1102029153 /nfs/dbraw/zinc/02/91/53/1102029153.db2.gz YSVHOJZQWBDSKD-UHFFFAOYSA-N 2 1 320.440 3.461 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001199021855 1102042595 /nfs/dbraw/zinc/04/25/95/1102042595.db2.gz ODJYVCKZHITIMD-UHFFFAOYSA-N 2 1 313.445 3.267 20 0 DGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccccc3OC3CC3)cn12 ZINC001242792984 1102346150 /nfs/dbraw/zinc/34/61/50/1102346150.db2.gz GKNWJQIQBYADSP-UHFFFAOYSA-N 2 1 305.381 3.229 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408420 1102571629 /nfs/dbraw/zinc/57/16/29/1102571629.db2.gz GGKUQOUOXJEASK-ZACQAIPSSA-N 2 1 302.487 3.468 20 0 DGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408420 1102571639 /nfs/dbraw/zinc/57/16/39/1102571639.db2.gz GGKUQOUOXJEASK-ZACQAIPSSA-N 2 1 302.487 3.468 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408420 1102571646 /nfs/dbraw/zinc/57/16/46/1102571646.db2.gz GGKUQOUOXJEASK-ZACQAIPSSA-N 2 1 302.487 3.468 20 0 DGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@H]3C2)c1 ZINC001201408420 1102571655 /nfs/dbraw/zinc/57/16/55/1102571655.db2.gz GGKUQOUOXJEASK-ZACQAIPSSA-N 2 1 302.487 3.468 20 0 DGADMP CCc1nc(C)c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001203246721 1102579092 /nfs/dbraw/zinc/57/90/92/1102579092.db2.gz LHENYLOQTMSXJZ-HOTGVXAUSA-N 2 1 304.482 3.119 20 0 DGADMP CCc1nc(C)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001203246721 1102579098 /nfs/dbraw/zinc/57/90/98/1102579098.db2.gz LHENYLOQTMSXJZ-HOTGVXAUSA-N 2 1 304.482 3.119 20 0 DGADMP CCc1nc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001203246721 1102579103 /nfs/dbraw/zinc/57/91/03/1102579103.db2.gz LHENYLOQTMSXJZ-HOTGVXAUSA-N 2 1 304.482 3.119 20 0 DGADMP CCc1nc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001203246721 1102579110 /nfs/dbraw/zinc/57/91/10/1102579110.db2.gz LHENYLOQTMSXJZ-HOTGVXAUSA-N 2 1 304.482 3.119 20 0 DGADMP CC(C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201470914 1102623247 /nfs/dbraw/zinc/62/32/47/1102623247.db2.gz INFIGALYSIWPLL-UHFFFAOYSA-N 2 1 302.462 3.009 20 0 DGADMP CCC(CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201525548 1102643731 /nfs/dbraw/zinc/64/37/31/1102643731.db2.gz GUDIXLSYDANIFZ-OALUTQOASA-N 2 1 308.510 3.103 20 0 DGADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201525548 1102643737 /nfs/dbraw/zinc/64/37/37/1102643737.db2.gz GUDIXLSYDANIFZ-OALUTQOASA-N 2 1 308.510 3.103 20 0 DGADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201525548 1102643742 /nfs/dbraw/zinc/64/37/42/1102643742.db2.gz GUDIXLSYDANIFZ-OALUTQOASA-N 2 1 308.510 3.103 20 0 DGADMP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+](CCc2ccccc2)C3)c1 ZINC001201598003 1102650443 /nfs/dbraw/zinc/65/04/43/1102650443.db2.gz FTIMQEJUQSHUGD-KDURUIRLSA-N 2 1 310.441 3.276 20 0 DGADMP [NH3+][C@H]1CCCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001205923872 1102671920 /nfs/dbraw/zinc/67/19/20/1102671920.db2.gz PESPNIYIYANVPB-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP [NH3+][C@H]1CCCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001205923872 1102671924 /nfs/dbraw/zinc/67/19/24/1102671924.db2.gz PESPNIYIYANVPB-HNNXBMFYSA-N 2 1 300.368 3.451 20 0 DGADMP CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713319 1102698799 /nfs/dbraw/zinc/69/87/99/1102698799.db2.gz BAWLFWOEZXQORH-WDSOQIARSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713319 1102698806 /nfs/dbraw/zinc/69/88/06/1102698806.db2.gz BAWLFWOEZXQORH-WDSOQIARSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713319 1102698811 /nfs/dbraw/zinc/69/88/11/1102698811.db2.gz BAWLFWOEZXQORH-WDSOQIARSA-N 2 1 301.478 3.414 20 0 DGADMP CCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201713319 1102698821 /nfs/dbraw/zinc/69/88/21/1102698821.db2.gz BAWLFWOEZXQORH-WDSOQIARSA-N 2 1 301.478 3.414 20 0 DGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC001201741234 1102711035 /nfs/dbraw/zinc/71/10/35/1102711035.db2.gz FCVLXXFXBRHTMS-WMZOPIPTSA-N 2 1 305.466 3.221 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201747328 1102713491 /nfs/dbraw/zinc/71/34/91/1102713491.db2.gz YOPWPGNYYNEONU-OALUTQOASA-N 2 1 308.510 3.247 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201747328 1102713506 /nfs/dbraw/zinc/71/35/06/1102713506.db2.gz YOPWPGNYYNEONU-OALUTQOASA-N 2 1 308.510 3.247 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201747328 1102713515 /nfs/dbraw/zinc/71/35/15/1102713515.db2.gz YOPWPGNYYNEONU-OALUTQOASA-N 2 1 308.510 3.247 20 0 DGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973370 1102776784 /nfs/dbraw/zinc/77/67/84/1102776784.db2.gz NGIPNETZYXGUKQ-CEXWTWQISA-N 2 1 308.510 3.412 20 0 DGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973370 1102776791 /nfs/dbraw/zinc/77/67/91/1102776791.db2.gz NGIPNETZYXGUKQ-CEXWTWQISA-N 2 1 308.510 3.412 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973370 1102776803 /nfs/dbraw/zinc/77/68/03/1102776803.db2.gz NGIPNETZYXGUKQ-CEXWTWQISA-N 2 1 308.510 3.412 20 0 DGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201973370 1102776814 /nfs/dbraw/zinc/77/68/14/1102776814.db2.gz NGIPNETZYXGUKQ-CEXWTWQISA-N 2 1 308.510 3.412 20 0 DGADMP CCOc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1OC ZINC001243538424 1102788916 /nfs/dbraw/zinc/78/89/16/1102788916.db2.gz CMFWEJDXIBADLG-UHFFFAOYSA-N 2 1 323.396 3.095 20 0 DGADMP [NH3+][C@H]1CCCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205932712 1102831665 /nfs/dbraw/zinc/83/16/65/1102831665.db2.gz TVFKRZXNHAALTN-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205932712 1102831681 /nfs/dbraw/zinc/83/16/81/1102831681.db2.gz TVFKRZXNHAALTN-ZDUSSCGKSA-N 2 1 322.250 3.244 20 0 DGADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)CC1(C)C ZINC001202143428 1102855566 /nfs/dbraw/zinc/85/55/66/1102855566.db2.gz YZCUQMALUMGJGC-GOSISDBHSA-N 2 1 321.553 3.495 20 0 DGADMP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc4nc[nH]c43)cc2)CC1 ZINC001243934388 1103063975 /nfs/dbraw/zinc/06/39/75/1103063975.db2.gz BGUPIJOPJDLOQP-UHFFFAOYSA-N 2 1 306.413 3.153 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3cnn(C)c3)cc1)CC[NH2+]CC2 ZINC001326095953 1103207008 /nfs/dbraw/zinc/20/70/08/1103207008.db2.gz OUCIODLFIBIZCV-MRXNPFEDSA-N 2 1 324.472 3.051 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326236267 1103243056 /nfs/dbraw/zinc/24/30/56/1103243056.db2.gz FZTHBDPXZIFGCW-UHFFFAOYSA-N 2 1 302.462 3.441 20 0 DGADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC001326472541 1103331287 /nfs/dbraw/zinc/33/12/87/1103331287.db2.gz APBKROSSZMHCOK-MDNKFWRPSA-N 2 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC001326472541 1103331300 /nfs/dbraw/zinc/33/13/00/1103331300.db2.gz APBKROSSZMHCOK-MDNKFWRPSA-N 3 1 315.505 3.017 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC001326472541 1103331314 /nfs/dbraw/zinc/33/13/14/1103331314.db2.gz APBKROSSZMHCOK-MDNKFWRPSA-N 3 1 315.505 3.017 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001489270273 1103347654 /nfs/dbraw/zinc/34/76/54/1103347654.db2.gz XRDVCUGZSJCULM-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001489270273 1103347667 /nfs/dbraw/zinc/34/76/67/1103347667.db2.gz XRDVCUGZSJCULM-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001489270273 1103347685 /nfs/dbraw/zinc/34/76/85/1103347685.db2.gz XRDVCUGZSJCULM-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)nc1 ZINC001326584280 1103374839 /nfs/dbraw/zinc/37/48/39/1103374839.db2.gz ULNGFPUOZNEQGX-UHFFFAOYSA-N 2 1 313.367 3.066 20 0 DGADMP CCOc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1C ZINC001244441197 1103439260 /nfs/dbraw/zinc/43/92/60/1103439260.db2.gz UPNVBXCINRENOB-UHFFFAOYSA-N 2 1 307.397 3.395 20 0 DGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC001327838829 1103484648 /nfs/dbraw/zinc/48/46/48/1103484648.db2.gz DBMNDXCGQBOYEL-ZJUUUORDSA-N 2 1 303.219 3.237 20 0 DGADMP Fc1ccc(/C=C\C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001327004851 1103497731 /nfs/dbraw/zinc/49/77/31/1103497731.db2.gz MAZOPWXQEFFHMK-IWQZZHSRSA-N 2 1 306.400 3.444 20 0 DGADMP COc1c(C)ccc(F)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244526788 1103498875 /nfs/dbraw/zinc/49/88/75/1103498875.db2.gz KLMOGTTXWZLBPO-UHFFFAOYSA-N 2 1 311.360 3.144 20 0 DGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276327477 1103499359 /nfs/dbraw/zinc/49/93/59/1103499359.db2.gz XAVAZXTTZDTIDW-GOSISDBHSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001327127337 1103539127 /nfs/dbraw/zinc/53/91/27/1103539127.db2.gz VDBCGNJLORMEOZ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327127337 1103539136 /nfs/dbraw/zinc/53/91/36/1103539136.db2.gz VDBCGNJLORMEOZ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327127337 1103539142 /nfs/dbraw/zinc/53/91/42/1103539142.db2.gz VDBCGNJLORMEOZ-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001327145280 1103549632 /nfs/dbraw/zinc/54/96/32/1103549632.db2.gz DOOLCELVXICFOI-GNBGVQPESA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276373388 1103694149 /nfs/dbraw/zinc/69/41/49/1103694149.db2.gz CUWXYLSRUNMPSW-KDURUIRLSA-N 2 1 315.505 3.020 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC001327723183 1103716465 /nfs/dbraw/zinc/71/64/65/1103716465.db2.gz UAFAYGRFZZCROR-ZIAGYGMSSA-N 2 1 318.440 3.168 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC001327840245 1103740313 /nfs/dbraw/zinc/74/03/13/1103740313.db2.gz NEGMXCPOAWBAKM-WCBMZHEXSA-N 2 1 303.269 3.086 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC001327840246 1103739798 /nfs/dbraw/zinc/73/97/98/1103739798.db2.gz NEGMXCPOAWBAKM-WPRPVWTQSA-N 2 1 303.269 3.086 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001206564459 1103810727 /nfs/dbraw/zinc/81/07/27/1103810727.db2.gz ODDGBFSGUCSHKZ-OAHLLOKOSA-N 2 1 316.367 3.362 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001206564459 1103810736 /nfs/dbraw/zinc/81/07/36/1103810736.db2.gz ODDGBFSGUCSHKZ-OAHLLOKOSA-N 2 1 316.367 3.362 20 0 DGADMP CCn1ncc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc21 ZINC001245237387 1103925916 /nfs/dbraw/zinc/92/59/16/1103925916.db2.gz OGMMYHITXRGPON-UHFFFAOYSA-N 2 1 317.396 3.058 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3nccnc3c2)CC1 ZINC001137087883 1103970649 /nfs/dbraw/zinc/97/06/49/1103970649.db2.gz IVEUGPOALSKOAJ-UHFFFAOYSA-N 2 1 312.461 3.182 20 0 DGADMP COc1cc(C)[nH+]cc1-c1ccc(OCCC[NH+](C)C)cc1 ZINC001245339768 1103993398 /nfs/dbraw/zinc/99/33/98/1103993398.db2.gz QIWJUFMNWZPEBC-UHFFFAOYSA-N 2 1 300.402 3.396 20 0 DGADMP Cc1cccc2[nH]c(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc21 ZINC001245345329 1103996212 /nfs/dbraw/zinc/99/62/12/1103996212.db2.gz VNFBPLHGKQSMSR-UHFFFAOYSA-N 2 1 302.381 3.478 20 0 DGADMP Fc1ccc2[nH]c(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2c1 ZINC001245575113 1104131339 /nfs/dbraw/zinc/13/13/39/1104131339.db2.gz OMTXMUFEYCSVCO-UHFFFAOYSA-N 2 1 306.344 3.309 20 0 DGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC001329065228 1104142028 /nfs/dbraw/zinc/14/20/28/1104142028.db2.gz ZEUSRFCQWHHQMD-SFHVURJKSA-N 2 1 324.472 3.240 20 0 DGADMP Cc1[nH+]c2ccccn2c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212804203 1104168911 /nfs/dbraw/zinc/16/89/11/1104168911.db2.gz QVOQVTUBEMETAE-UHFFFAOYSA-N 2 1 310.401 3.327 20 0 DGADMP FC(F)(F)c1ncccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329148596 1104168935 /nfs/dbraw/zinc/16/89/35/1104168935.db2.gz LAVUJKXIEWFYHR-UHFFFAOYSA-N 2 1 313.367 3.066 20 0 DGADMP Fc1c(Cl)ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1F ZINC001245740285 1104215418 /nfs/dbraw/zinc/21/54/18/1104215418.db2.gz QWKRPPLHAFGLGB-UHFFFAOYSA-N 2 1 309.747 3.090 20 0 DGADMP CSc1ccc(F)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001245749792 1104217628 /nfs/dbraw/zinc/21/76/28/1104217628.db2.gz ZXUIZGJXUWHTLL-UHFFFAOYSA-N 2 1 303.406 3.019 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC001329433415 1104265076 /nfs/dbraw/zinc/26/50/76/1104265076.db2.gz NQHNWAGMKGCEKV-ROUUACIJSA-N 2 1 313.489 3.108 20 0 DGADMP O[C@H](C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246026053 1104353509 /nfs/dbraw/zinc/35/35/09/1104353509.db2.gz CUFMUNNYHGPVNN-RTBURBONSA-N 2 1 320.452 3.105 20 0 DGADMP C[C@](O)(C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)c1ccccc1 ZINC001246049897 1104356817 /nfs/dbraw/zinc/35/68/17/1104356817.db2.gz CZZAKWMMGLAANI-PXNSSMCTSA-N 2 1 316.489 3.138 20 0 DGADMP Cc1ccc(C[N@@H+](C[C@@H](O)C(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246069290 1104365575 /nfs/dbraw/zinc/36/55/75/1104365575.db2.gz WZCZCDFAIUBGDN-GUDVDZBRSA-N 2 1 318.505 3.474 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2OC)C[C@H](CC)[NH2+]1 ZINC001246073529 1104366855 /nfs/dbraw/zinc/36/68/55/1104366855.db2.gz FWGUYGWENVGVPL-MUJYYYPQSA-N 2 1 306.450 3.103 20 0 DGADMP CC1(C)CCc2onc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2C1 ZINC001329703089 1104367759 /nfs/dbraw/zinc/36/77/59/1104367759.db2.gz VWFGHQBLBZWXSR-UHFFFAOYSA-N 2 1 317.477 3.155 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246079897 1104373458 /nfs/dbraw/zinc/37/34/58/1104373458.db2.gz LABQKBMVIAJMQS-ZIAGYGMSSA-N 2 1 316.367 3.451 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246081922 1104375406 /nfs/dbraw/zinc/37/54/06/1104375406.db2.gz SNRFOMLKWKQQTN-LBPRGKRZSA-N 2 1 302.340 3.205 20 0 DGADMP CCC[C@H](CCc1ccccc1)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246086477 1104378038 /nfs/dbraw/zinc/37/80/38/1104378038.db2.gz CGEGJUQAOVOIKS-HXUWFJFHSA-N 2 1 317.521 3.063 20 0 DGADMP CC1(C)C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246091798 1104379478 /nfs/dbraw/zinc/37/94/78/1104379478.db2.gz QIFREGRNLDOGQK-RTBURBONSA-N 2 1 315.505 3.161 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091801 1104381315 /nfs/dbraw/zinc/38/13/15/1104381315.db2.gz HOZOHQQEHPVLIY-UMGGQSCQSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091801 1104381327 /nfs/dbraw/zinc/38/13/27/1104381327.db2.gz HOZOHQQEHPVLIY-UMGGQSCQSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091801 1104381339 /nfs/dbraw/zinc/38/13/39/1104381339.db2.gz HOZOHQQEHPVLIY-UMGGQSCQSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC001246091801 1104381351 /nfs/dbraw/zinc/38/13/51/1104381351.db2.gz HOZOHQQEHPVLIY-UMGGQSCQSA-N 3 1 315.505 3.017 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001246105448 1104389208 /nfs/dbraw/zinc/38/92/08/1104389208.db2.gz BMEZKQJXUOAZGM-YJBOKZPZSA-N 2 1 308.441 3.088 20 0 DGADMP C[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH2+]C1 ZINC001246114551 1104392125 /nfs/dbraw/zinc/39/21/25/1104392125.db2.gz PXXTVAVQQBGEPI-LCLWPZTBSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246118947 1104394937 /nfs/dbraw/zinc/39/49/37/1104394937.db2.gz SZFRBJDHJDPXAD-AKWBHNSASA-N 2 1 313.272 3.438 20 0 DGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246129648 1104399267 /nfs/dbraw/zinc/39/92/67/1104399267.db2.gz GVUJAQJJJLHRFX-ZFWWWQNUSA-N 2 1 308.491 3.412 20 0 DGADMP CCCCCC[C@H](CCC)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246130152 1104400179 /nfs/dbraw/zinc/40/01/79/1104400179.db2.gz YDYTYOSFIMEJBZ-WMZOPIPTSA-N 2 1 312.498 3.400 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C(=O)OC(C)(C)C ZINC001246152369 1104408809 /nfs/dbraw/zinc/40/88/09/1104408809.db2.gz NRNPMYBSWJNOJG-MRXNPFEDSA-N 2 1 324.509 3.255 20 0 DGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246160875 1104411379 /nfs/dbraw/zinc/41/13/79/1104411379.db2.gz PNZCRJHKBMCFAG-PWIZWCRZSA-N 2 1 316.489 3.071 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[NH2+]1 ZINC001246163272 1104413181 /nfs/dbraw/zinc/41/31/81/1104413181.db2.gz HRQBXSDQTKTDHD-AEFFLSMTSA-N 3 1 307.457 3.036 20 0 DGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC001246164581 1104413376 /nfs/dbraw/zinc/41/33/76/1104413376.db2.gz XGNJGTRVORGYTJ-SMDDNHRTSA-N 2 1 300.368 3.360 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246166337 1104415568 /nfs/dbraw/zinc/41/55/68/1104415568.db2.gz PRUBVBVRSGPBNB-QFBILLFUSA-N 2 1 313.420 3.299 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246168742 1104415706 /nfs/dbraw/zinc/41/57/06/1104415706.db2.gz GOPIVWGVVLGOHU-XMTFNYHQSA-N 2 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246168742 1104415711 /nfs/dbraw/zinc/41/57/11/1104415711.db2.gz GOPIVWGVVLGOHU-XMTFNYHQSA-N 3 1 309.542 3.111 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246168742 1104415713 /nfs/dbraw/zinc/41/57/13/1104415713.db2.gz GOPIVWGVVLGOHU-XMTFNYHQSA-N 3 1 309.542 3.111 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]1 ZINC001246170052 1104416820 /nfs/dbraw/zinc/41/68/20/1104416820.db2.gz LBAQHHRQWXBRGK-NCXUSEDFSA-N 3 1 309.542 3.255 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001246196369 1104433925 /nfs/dbraw/zinc/43/39/25/1104433925.db2.gz WJEFGPNRFLUXBU-JQWIXIFHSA-N 2 1 302.796 3.281 20 0 DGADMP Brc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC001246171008 1104417373 /nfs/dbraw/zinc/41/73/73/1104417373.db2.gz VNDRBZANJGDRAO-CVEARBPZSA-N 2 1 323.278 3.038 20 0 DGADMP CN(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246172838 1104418644 /nfs/dbraw/zinc/41/86/44/1104418644.db2.gz CZPZEWVYLISKQB-TZIWHRDSSA-N 2 1 323.484 3.378 20 0 DGADMP C[C@H]1CC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H](C)[NH2+]1 ZINC001246176571 1104422151 /nfs/dbraw/zinc/42/21/51/1104422151.db2.gz GLBKPIINPFJANT-KBPBESRZSA-N 2 1 318.461 3.261 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CCCCCC2)CC[NH2+]1 ZINC001246178983 1104424021 /nfs/dbraw/zinc/42/40/21/1104424021.db2.gz BWJAJCVRMBVUSV-SJLPKXTDSA-N 2 1 301.478 3.297 20 0 DGADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001329923679 1104424656 /nfs/dbraw/zinc/42/46/56/1104424656.db2.gz NSPLXVQZHQPWSN-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001329923679 1104424665 /nfs/dbraw/zinc/42/46/65/1104424665.db2.gz NSPLXVQZHQPWSN-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001329923679 1104424671 /nfs/dbraw/zinc/42/46/71/1104424671.db2.gz NSPLXVQZHQPWSN-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246182901 1104426019 /nfs/dbraw/zinc/42/60/19/1104426019.db2.gz BBLFTGGNDODHCE-IUODEOHRSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246190244 1104429939 /nfs/dbraw/zinc/42/99/39/1104429939.db2.gz QIEAZPXVYKZEGL-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP C[C@H](CC1CC1)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001246192864 1104431732 /nfs/dbraw/zinc/43/17/32/1104431732.db2.gz ZQRHAGCFSAAOQI-QAPCUYQASA-N 2 1 318.461 3.006 20 0 DGADMP CC[C@@H]1C[C@H](NCC[N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246194208 1104431879 /nfs/dbraw/zinc/43/18/79/1104431879.db2.gz GNFLBFWTEMLPSN-BWTSREIZSA-N 2 1 303.494 3.017 20 0 DGADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC001246199427 1104433445 /nfs/dbraw/zinc/43/34/45/1104433445.db2.gz JUJLCRBKIFRJNR-BHUNQDJPSA-N 2 1 324.509 3.112 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196243 1104434315 /nfs/dbraw/zinc/43/43/15/1104434315.db2.gz RTRCSXHYGXEFIW-ROUUACIJSA-N 2 1 307.526 3.295 20 0 DGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196243 1104434322 /nfs/dbraw/zinc/43/43/22/1104434322.db2.gz RTRCSXHYGXEFIW-ROUUACIJSA-N 3 1 307.526 3.295 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246196243 1104434326 /nfs/dbraw/zinc/43/43/26/1104434326.db2.gz RTRCSXHYGXEFIW-ROUUACIJSA-N 3 1 307.526 3.295 20 0 DGADMP Cc1cc2c(s1)N([C@@H]1CCC[NH2+]C1)c1ccccc1NC2=[NH2+] ZINC001246196316 1104434390 /nfs/dbraw/zinc/43/43/90/1104434390.db2.gz NRFRZVZAYAVXOF-GFCCVEGCSA-N 2 1 312.442 3.297 20 0 DGADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC ZINC001246203582 1104435985 /nfs/dbraw/zinc/43/59/85/1104435985.db2.gz NBPBYDLSDPEZOJ-ROUUACIJSA-N 2 1 320.477 3.048 20 0 DGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246204113 1104437052 /nfs/dbraw/zinc/43/70/52/1104437052.db2.gz XYGLHGICVPIMMO-KXBFYZLASA-N 2 1 310.441 3.060 20 0 DGADMP CN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955866 1104438770 /nfs/dbraw/zinc/43/87/70/1104438770.db2.gz CTJRZSBZMZYXSW-QYZOEREBSA-N 2 1 319.468 3.035 20 0 DGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246218769 1104441845 /nfs/dbraw/zinc/44/18/45/1104441845.db2.gz DMMYOJBNWMSBGX-WMLDXEAASA-N 2 1 310.432 3.405 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246218568 1104441886 /nfs/dbraw/zinc/44/18/86/1104441886.db2.gz BKLBSSCOAXDECM-WFASDCNBSA-N 2 1 316.823 3.496 20 0 DGADMP C[C@@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]CC1(F)F ZINC001246223005 1104444533 /nfs/dbraw/zinc/44/45/33/1104444533.db2.gz UGKNEAKWPWLOHA-CABCVRRESA-N 2 1 314.807 3.032 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246222497 1104445126 /nfs/dbraw/zinc/44/51/26/1104445126.db2.gz RQLKOVXRCRHADM-QWRGUYRKSA-N 2 1 316.367 3.333 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246227207 1104448027 /nfs/dbraw/zinc/44/80/27/1104448027.db2.gz GOPDPRNCIFQWRM-QWHCGFSZSA-N 2 1 314.807 3.032 20 0 DGADMP COC(=O)[C@H](CC1CCCCC1)[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246238690 1104452172 /nfs/dbraw/zinc/45/21/72/1104452172.db2.gz GCHUGGXLCHUTBC-ZIFCJYIRSA-N 2 1 322.493 3.010 20 0 DGADMP COC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246241181 1104453749 /nfs/dbraw/zinc/45/37/49/1104453749.db2.gz QOZXKDKJSKEXAY-LPHOPBHVSA-N 2 1 312.457 3.160 20 0 DGADMP C1CCC([N@@H+]2CCC[C@H]([NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246249310 1104458541 /nfs/dbraw/zinc/45/85/41/1104458541.db2.gz NUPWLXIKRXTMFT-SFHVURJKSA-N 3 1 319.537 3.295 20 0 DGADMP C1CCC([N@H+]2CCC[C@H]([NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC001246249310 1104458545 /nfs/dbraw/zinc/45/85/45/1104458545.db2.gz NUPWLXIKRXTMFT-SFHVURJKSA-N 3 1 319.537 3.295 20 0 DGADMP CC[C@@H]1CC([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@@H](CC)[NH2+]1 ZINC001246257697 1104462726 /nfs/dbraw/zinc/46/27/26/1104462726.db2.gz IABPSMHYHOHVRU-INMHGKMJSA-N 2 1 310.869 3.272 20 0 DGADMP CC[C@@H]1CC([NH2+][C@H](CO)c2ccc(Cl)cc2)C[C@@H](CC)[NH2+]1 ZINC001246259372 1104462893 /nfs/dbraw/zinc/46/28/93/1104462893.db2.gz OJJGXPZGEBOFCR-BFYDXBDKSA-N 2 1 310.869 3.272 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246263355 1104463449 /nfs/dbraw/zinc/46/34/49/1104463449.db2.gz DGDULIGCXKWJHN-DLBZAZTESA-N 2 1 314.860 3.357 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246261681 1104463699 /nfs/dbraw/zinc/46/36/99/1104463699.db2.gz VLVIZVBBWPETIZ-IKGGRYGDSA-N 2 1 310.869 3.274 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246267280 1104466035 /nfs/dbraw/zinc/46/60/35/1104466035.db2.gz MKGPXFQTOIMHSR-RHSMWYFYSA-N 2 1 302.849 3.431 20 0 DGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246269336 1104467316 /nfs/dbraw/zinc/46/73/16/1104467316.db2.gz QUNZNMZXWLYIBY-IAGOWNOFSA-N 2 1 314.860 3.357 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246285078 1104474391 /nfs/dbraw/zinc/47/43/91/1104474391.db2.gz DAIMKHFNFPZMGF-GFCCVEGCSA-N 2 1 300.368 3.498 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246294145 1104477111 /nfs/dbraw/zinc/47/71/11/1104477111.db2.gz LXYIADZSWGFFSI-VKJFTORMSA-N 2 1 310.482 3.009 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)C[C@H](CC)[NH2+]1 ZINC001246318176 1104487278 /nfs/dbraw/zinc/48/72/78/1104487278.db2.gz YVCLUVVGQQXRAR-LDDOYCOJSA-N 2 1 318.461 3.418 20 0 DGADMP CCC1CCC([NH2+]C2CCC3(CC[NH2+]C3)CC2)(C(=O)OC)CC1 ZINC001246325748 1104488781 /nfs/dbraw/zinc/48/87/81/1104488781.db2.gz JICYXZIXLUMSRV-UHFFFAOYSA-N 2 1 322.493 3.010 20 0 DGADMP CC[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C(=O)OC(C)(C)C ZINC001246325212 1104488910 /nfs/dbraw/zinc/48/89/10/1104488910.db2.gz OUBMBIHBSLJJHK-HNNXBMFYSA-N 2 1 310.482 3.009 20 0 DGADMP Brc1cccc(C2(C[NH2+][C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246324398 1104489833 /nfs/dbraw/zinc/48/98/33/1104489833.db2.gz NSKJYSAGGFQRJN-HNNXBMFYSA-N 2 1 323.278 3.212 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000718057938 1104492163 /nfs/dbraw/zinc/49/21/63/1104492163.db2.gz ZEJCNIWTYQEKSI-MSOLQXFVSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC001246338997 1104497189 /nfs/dbraw/zinc/49/71/89/1104497189.db2.gz HNCGSQVYEJEOKF-MDNKFWRPSA-N 2 1 313.489 3.043 20 0 DGADMP C[C@@H]1C[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C[N@H+]1Cc1ccccc1 ZINC001246338997 1104497197 /nfs/dbraw/zinc/49/71/97/1104497197.db2.gz HNCGSQVYEJEOKF-MDNKFWRPSA-N 2 1 313.489 3.043 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337882 1104497509 /nfs/dbraw/zinc/49/75/09/1104497509.db2.gz XDGADBPFAMUQTK-PKOBYXMFSA-N 2 1 315.505 3.006 20 0 DGADMP CCCC[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC001246360073 1104507932 /nfs/dbraw/zinc/50/79/32/1104507932.db2.gz ILVZCIKWCSLKTF-KZNAEPCWSA-N 2 1 307.526 3.294 20 0 DGADMP C[NH2+]C1CCC([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)CC1 ZINC001246372783 1104513042 /nfs/dbraw/zinc/51/30/42/1104513042.db2.gz FNWZBPHMSIHHBF-UHFFFAOYSA-N 3 1 321.896 3.039 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC001246375714 1104515340 /nfs/dbraw/zinc/51/53/40/1104515340.db2.gz JLZFEPCCVDUYCS-JBLDHEPKSA-N 2 1 315.230 3.379 20 0 DGADMP C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246396328 1104525658 /nfs/dbraw/zinc/52/56/58/1104525658.db2.gz YKQXZWGFOCQJEF-LSDHHAIUSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402187 1104527611 /nfs/dbraw/zinc/52/76/11/1104527611.db2.gz KMUVPPVQCMXNER-DDBAPUKQSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1C[C@@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402187 1104527617 /nfs/dbraw/zinc/52/76/17/1104527617.db2.gz KMUVPPVQCMXNER-DDBAPUKQSA-N 2 1 319.468 3.038 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246407016 1104529574 /nfs/dbraw/zinc/52/95/74/1104529574.db2.gz SHWCFYFBMKATHV-FLQXLDSJSA-N 3 1 319.537 3.422 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CCC2)cc1 ZINC001246429671 1104535985 /nfs/dbraw/zinc/53/59/85/1104535985.db2.gz CJPPVZMRCUZEGX-NVXWUHKLSA-N 2 1 302.462 3.138 20 0 DGADMP C1=CO[C@@H](C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)CC1 ZINC001274898289 1104537200 /nfs/dbraw/zinc/53/72/00/1104537200.db2.gz ADHVKXDOZGZZQH-RTBURBONSA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001274898289 1104537208 /nfs/dbraw/zinc/53/72/08/1104537208.db2.gz ADHVKXDOZGZZQH-RTBURBONSA-N 2 1 304.478 3.410 20 0 DGADMP C1=CO[C@@H](C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001274898289 1104537217 /nfs/dbraw/zinc/53/72/17/1104537217.db2.gz ADHVKXDOZGZZQH-RTBURBONSA-N 2 1 304.478 3.410 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444644 1104541984 /nfs/dbraw/zinc/54/19/84/1104541984.db2.gz YMHBJALHJKYGSB-UTRMSSBJSA-N 2 1 319.468 3.038 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)C[NH2+]1 ZINC001246443221 1104542490 /nfs/dbraw/zinc/54/24/90/1104542490.db2.gz MGSQOMNPUCASNE-OWYHZJEWSA-N 2 1 302.462 3.245 20 0 DGADMP CC[C@@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC001246454649 1104543906 /nfs/dbraw/zinc/54/39/06/1104543906.db2.gz FSIDMEXKTAJZBR-IHPCNDPISA-N 2 1 315.505 3.161 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C2(CC3CCC3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246449102 1104544267 /nfs/dbraw/zinc/54/42/67/1104544267.db2.gz WHWFMRUYEYKGRA-IAGOWNOFSA-N 3 1 307.526 3.055 20 0 DGADMP Fc1ccccc1[C@H](CC1CCOCC1)[NH2+]C1CC[NH2+]CC1 ZINC001246456295 1104545153 /nfs/dbraw/zinc/54/51/53/1104545153.db2.gz KTKIUAFXYYZTEG-SFHVURJKSA-N 2 1 306.425 3.025 20 0 DGADMP CC[C@@]1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CCC[NH2+]1 ZINC001246458134 1104547564 /nfs/dbraw/zinc/54/75/64/1104547564.db2.gz WSCBQXIQEHGFMO-PXAZEXFGSA-N 2 1 312.379 3.083 20 0 DGADMP c1ccc2c(c1)C[C@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)CS2 ZINC001246461645 1104550491 /nfs/dbraw/zinc/55/04/91/1104550491.db2.gz OQFGEVQANCDMQM-FUHWJXTLSA-N 2 1 302.487 3.215 20 0 DGADMP c1ccc(Oc2ccc(CC[NH2+][C@@H]3CCCC[NH2+]C3)cn2)cc1 ZINC001246470372 1104553612 /nfs/dbraw/zinc/55/36/12/1104553612.db2.gz MUWXPBGYPQBVKY-QGZVFWFLSA-N 2 1 311.429 3.148 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCCCC2)C[NH2+]1 ZINC001246476550 1104559250 /nfs/dbraw/zinc/55/92/50/1104559250.db2.gz XMQUCCQRXWSUAV-HUUCEWRRSA-N 2 1 310.482 3.009 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246490976 1104562394 /nfs/dbraw/zinc/56/23/94/1104562394.db2.gz RGJIQFXGVAWGFQ-TZMCWYRMSA-N 2 1 316.823 3.496 20 0 DGADMP Cc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CC[NH2+]CC1(F)F)CC2 ZINC001246493281 1104564956 /nfs/dbraw/zinc/56/49/56/1104564956.db2.gz YAHJWHXPLIRKOB-DLBZAZTESA-N 2 1 308.416 3.077 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)[NH2+]C(C[NH3+])(CCC)CCC ZINC001246495228 1104565375 /nfs/dbraw/zinc/56/53/75/1104565375.db2.gz IKTSYNVIFULRNM-OAHLLOKOSA-N 2 1 300.487 3.386 20 0 DGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246502597 1104568419 /nfs/dbraw/zinc/56/84/19/1104568419.db2.gz HMOGCCARJRDOBV-RRCSTGOVSA-N 2 1 308.491 3.268 20 0 DGADMP CC(C)C[C@@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246503302 1104568808 /nfs/dbraw/zinc/56/88/08/1104568808.db2.gz KHHXEVCDWYWZOH-HNJRGHQBSA-N 2 1 317.521 3.391 20 0 DGADMP c1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)n(C2CC2)c1 ZINC001330528323 1104568885 /nfs/dbraw/zinc/56/88/85/1104568885.db2.gz JIJHZSHMKGESAJ-UHFFFAOYSA-N 2 1 309.457 3.361 20 0 DGADMP c1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)n(C2CC2)c1 ZINC001330528323 1104568890 /nfs/dbraw/zinc/56/88/90/1104568890.db2.gz JIJHZSHMKGESAJ-UHFFFAOYSA-N 2 1 309.457 3.361 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(C)(C)CC1 ZINC001246506059 1104569788 /nfs/dbraw/zinc/56/97/88/1104569788.db2.gz UHABINLJOPPYQK-HNNXBMFYSA-N 2 1 312.498 3.384 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246508769 1104569917 /nfs/dbraw/zinc/56/99/17/1104569917.db2.gz CGAKFLQZJYAMMX-XMTFNYHQSA-N 3 1 307.526 3.340 20 0 DGADMP c1ccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246517860 1104573551 /nfs/dbraw/zinc/57/35/51/1104573551.db2.gz CIIBRXFCOVNIOD-IBGZPJMESA-N 2 1 313.489 3.264 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001246525335 1104577058 /nfs/dbraw/zinc/57/70/58/1104577058.db2.gz WKJXGIGBNLDXJY-KRWDZBQOSA-N 2 1 316.489 3.482 20 0 DGADMP CC[C@@H]1CC([NH+]2CCN(c3ccc(C)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246522591 1104577751 /nfs/dbraw/zinc/57/77/51/1104577751.db2.gz APRCVUBINFOFQA-QZTJIDSGSA-N 2 1 315.505 3.426 20 0 DGADMP C[C@@H]1C[C@@H](N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246532855 1104579575 /nfs/dbraw/zinc/57/95/75/1104579575.db2.gz KYOXQBFZVPVMRX-IHEQNBGGSA-N 2 1 315.505 3.110 20 0 DGADMP CCC[N@H+](CCOC)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246530110 1104580532 /nfs/dbraw/zinc/58/05/32/1104580532.db2.gz OIKVJPUTPJEYRQ-AEFFLSMTSA-N 2 1 308.441 3.286 20 0 DGADMP CCC[N@@H+](CCOC)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246530110 1104580538 /nfs/dbraw/zinc/58/05/38/1104580538.db2.gz OIKVJPUTPJEYRQ-AEFFLSMTSA-N 2 1 308.441 3.286 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246539342 1104584214 /nfs/dbraw/zinc/58/42/14/1104584214.db2.gz JUENKHCXWWADSZ-WFASDCNBSA-N 2 1 316.367 3.329 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246539342 1104584218 /nfs/dbraw/zinc/58/42/18/1104584218.db2.gz JUENKHCXWWADSZ-WFASDCNBSA-N 2 1 316.367 3.329 20 0 DGADMP C[C@@H]1CC([NH+]2CCC(C[NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001246541023 1104585576 /nfs/dbraw/zinc/58/55/76/1104585576.db2.gz XXWWZNVQEUTYKD-IAGOWNOFSA-N 2 1 315.505 3.099 20 0 DGADMP CC1(C)C[C@H](N2CCC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541073 1104585885 /nfs/dbraw/zinc/58/58/85/1104585885.db2.gz LMEKPVSWBGGTNB-RTBURBONSA-N 2 1 315.505 3.243 20 0 DGADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246543542 1104586213 /nfs/dbraw/zinc/58/62/13/1104586213.db2.gz ZVDDIZXCNFQTTO-MJGOQNOKSA-N 2 1 319.468 3.259 20 0 DGADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001246544230 1104586723 /nfs/dbraw/zinc/58/67/23/1104586723.db2.gz WUFDLWGNYYZMGH-JKSUJKDBSA-N 2 1 323.278 3.120 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H](CC)[NH2+]1 ZINC001246548796 1104587974 /nfs/dbraw/zinc/58/79/74/1104587974.db2.gz OJHLILATDLNGNU-FVQHAEBGSA-N 2 1 318.461 3.199 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H](CC)[NH2+]1 ZINC001246548796 1104587984 /nfs/dbraw/zinc/58/79/84/1104587984.db2.gz OJHLILATDLNGNU-FVQHAEBGSA-N 2 1 318.461 3.199 20 0 DGADMP C[C@H]1CC[NH2+]CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246548729 1104588194 /nfs/dbraw/zinc/58/81/94/1104588194.db2.gz GCNFDMJUFKNKOS-HKUYNNGSSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246547249 1104588227 /nfs/dbraw/zinc/58/82/27/1104588227.db2.gz HOGBVMAVVRFIIY-NEWSRXKRSA-N 2 1 320.452 3.164 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246547249 1104588238 /nfs/dbraw/zinc/58/82/38/1104588238.db2.gz HOGBVMAVVRFIIY-NEWSRXKRSA-N 2 1 320.452 3.164 20 0 DGADMP c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001275039077 1104588911 /nfs/dbraw/zinc/58/89/11/1104588911.db2.gz LTKWDVLJBWIUDE-UHFFFAOYSA-N 2 1 316.493 3.278 20 0 DGADMP CC[C@H]1CC([N@@H+]2CCc3cc(OC)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246550051 1104590255 /nfs/dbraw/zinc/59/02/55/1104590255.db2.gz NLTZOVQHKAZAAC-IRXDYDNUSA-N 2 1 302.462 3.363 20 0 DGADMP CC[C@H]1CC([N@H+]2CCc3cc(OC)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246550051 1104590260 /nfs/dbraw/zinc/59/02/60/1104590260.db2.gz NLTZOVQHKAZAAC-IRXDYDNUSA-N 2 1 302.462 3.363 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246552792 1104590527 /nfs/dbraw/zinc/59/05/27/1104590527.db2.gz VIQCVYOXHADPRL-CRAIPNDOSA-N 2 1 308.441 3.169 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CCC1(F)F ZINC001246554850 1104592773 /nfs/dbraw/zinc/59/27/73/1104592773.db2.gz DZSVMDTYGHBOCQ-DZGCQCFKSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556616 1104593343 /nfs/dbraw/zinc/59/33/43/1104593343.db2.gz JUTYIPLYVLZHSP-QWHCGFSZSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556616 1104593350 /nfs/dbraw/zinc/59/33/50/1104593350.db2.gz JUTYIPLYVLZHSP-QWHCGFSZSA-N 2 1 314.807 3.113 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH2+]CC[C@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246553672 1104593421 /nfs/dbraw/zinc/59/34/21/1104593421.db2.gz UEIDKFBJQMXNFY-FTEYMNFISA-N 2 1 315.505 3.112 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556615 1104593696 /nfs/dbraw/zinc/59/36/96/1104593696.db2.gz JUTYIPLYVLZHSP-OLZOCXBDSA-N 2 1 314.807 3.113 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CCC1(F)F ZINC001246556615 1104593702 /nfs/dbraw/zinc/59/37/02/1104593702.db2.gz JUTYIPLYVLZHSP-OLZOCXBDSA-N 2 1 314.807 3.113 20 0 DGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC[C@H]1C[NH3+] ZINC001246563442 1104598654 /nfs/dbraw/zinc/59/86/54/1104598654.db2.gz WYUFXVJFDABABQ-IVMMDQJWSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246570753 1104599439 /nfs/dbraw/zinc/59/94/39/1104599439.db2.gz VECUQGLXZZVCPC-JKSUJKDBSA-N 2 1 319.468 3.101 20 0 DGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062490 1104600744 /nfs/dbraw/zinc/60/07/44/1104600744.db2.gz ZPRDQXAQWUOLDW-KURKYZTESA-N 2 1 318.509 3.093 20 0 DGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062490 1104600747 /nfs/dbraw/zinc/60/07/47/1104600747.db2.gz ZPRDQXAQWUOLDW-KURKYZTESA-N 2 1 318.509 3.093 20 0 DGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062490 1104600750 /nfs/dbraw/zinc/60/07/50/1104600750.db2.gz ZPRDQXAQWUOLDW-KURKYZTESA-N 2 1 318.509 3.093 20 0 DGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275062490 1104600757 /nfs/dbraw/zinc/60/07/57/1104600757.db2.gz ZPRDQXAQWUOLDW-KURKYZTESA-N 2 1 318.509 3.093 20 0 DGADMP CC(C)=CCC[C@@H](C)C[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001275057258 1104602515 /nfs/dbraw/zinc/60/25/15/1104602515.db2.gz IJEMVLFYXHPFPP-LJQANCHMSA-N 2 1 321.553 3.328 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579796 1104603432 /nfs/dbraw/zinc/60/34/32/1104603432.db2.gz LJOVIKASFBXQOJ-XJKSGUPXSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579796 1104603434 /nfs/dbraw/zinc/60/34/34/1104603434.db2.gz LJOVIKASFBXQOJ-XJKSGUPXSA-N 2 1 314.445 3.459 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001246581705 1104603752 /nfs/dbraw/zinc/60/37/52/1104603752.db2.gz ABFDVDSRICCRDQ-CRAIPNDOSA-N 2 1 308.416 3.273 20 0 DGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275066345 1104604014 /nfs/dbraw/zinc/60/40/14/1104604014.db2.gz VQYHBBPJLRLWCB-RTBURBONSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275066345 1104604022 /nfs/dbraw/zinc/60/40/22/1104604022.db2.gz VQYHBBPJLRLWCB-RTBURBONSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275066345 1104604026 /nfs/dbraw/zinc/60/40/26/1104604026.db2.gz VQYHBBPJLRLWCB-RTBURBONSA-N 2 1 318.509 3.107 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246578416 1104604160 /nfs/dbraw/zinc/60/41/60/1104604160.db2.gz QYDMKZFUPSFOGZ-QFBILLFUSA-N 2 1 318.461 3.187 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCCC[C@H](C[NH3+])C1)CC2 ZINC001246582433 1104604957 /nfs/dbraw/zinc/60/49/57/1104604957.db2.gz MITWPBHCYBCRDA-ZIAGYGMSSA-N 2 1 322.880 3.267 20 0 DGADMP COC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246583319 1104605806 /nfs/dbraw/zinc/60/58/06/1104605806.db2.gz QJJQGIRWZSXAFY-ZIFCJYIRSA-N 2 1 320.452 3.428 20 0 DGADMP COC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246583319 1104605813 /nfs/dbraw/zinc/60/58/13/1104605813.db2.gz QJJQGIRWZSXAFY-ZIFCJYIRSA-N 2 1 320.452 3.428 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001246585138 1104606632 /nfs/dbraw/zinc/60/66/32/1104606632.db2.gz OMGCVFKTLUNEJB-APWZRJJASA-N 2 1 304.478 3.467 20 0 DGADMP CCC(CC)C[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001275071217 1104606880 /nfs/dbraw/zinc/60/68/80/1104606880.db2.gz APRUECPXVZNQRQ-UHFFFAOYSA-N 2 1 309.542 3.162 20 0 DGADMP COc1cccc2c1CC[C@H]([N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1)C2 ZINC001246589295 1104608313 /nfs/dbraw/zinc/60/83/13/1104608313.db2.gz FGJDYBMBMCPTGZ-ROUUACIJSA-N 2 1 316.489 3.405 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246591920 1104609722 /nfs/dbraw/zinc/60/97/22/1104609722.db2.gz VRJQJRWGFVNROH-DFBGVHRSSA-N 2 1 318.358 3.398 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246591920 1104609725 /nfs/dbraw/zinc/60/97/25/1104609725.db2.gz VRJQJRWGFVNROH-DFBGVHRSSA-N 2 1 318.358 3.398 20 0 DGADMP CCC[C@H](C)C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275074661 1104610101 /nfs/dbraw/zinc/61/01/01/1104610101.db2.gz UOCQRLVPPNFPMR-SFHVURJKSA-N 2 1 318.509 3.107 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246593467 1104612402 /nfs/dbraw/zinc/61/24/02/1104612402.db2.gz HZSDHGWMZZFEOH-STQMWFEESA-N 2 1 316.367 3.200 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246593467 1104612406 /nfs/dbraw/zinc/61/24/06/1104612406.db2.gz HZSDHGWMZZFEOH-STQMWFEESA-N 2 1 316.367 3.200 20 0 DGADMP C[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246596446 1104613736 /nfs/dbraw/zinc/61/37/36/1104613736.db2.gz QFSSFLNJRQQAKK-PKOBYXMFSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001246597603 1104613749 /nfs/dbraw/zinc/61/37/49/1104613749.db2.gz XRTBLXMVQLUJDP-QAPCUYQASA-N 2 1 308.416 3.273 20 0 DGADMP C[C@@H]1C[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC001246598084 1104614443 /nfs/dbraw/zinc/61/44/43/1104614443.db2.gz ZPYUCPZXRAOIJW-HOJAQTOUSA-N 2 1 315.505 3.100 20 0 DGADMP c1nc2c(s1)C[C@@H]([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)CC2 ZINC001246599314 1104615854 /nfs/dbraw/zinc/61/58/54/1104615854.db2.gz CFXPDAIRUNNZRM-MAUKXSAKSA-N 2 1 319.518 3.246 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599253 1104616551 /nfs/dbraw/zinc/61/65/51/1104616551.db2.gz BQOGSJZQQFULHO-QYZOEREBSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246599253 1104616555 /nfs/dbraw/zinc/61/65/55/1104616555.db2.gz BQOGSJZQQFULHO-QYZOEREBSA-N 3 1 307.526 3.009 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600018 1104616647 /nfs/dbraw/zinc/61/66/47/1104616647.db2.gz CPWWRGOJWYGYIT-MJGOQNOKSA-N 2 1 324.509 3.354 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599067 1104616668 /nfs/dbraw/zinc/61/66/68/1104616668.db2.gz AHZHCGIZNCQHBN-DYVFJYSZSA-N 2 1 310.844 3.486 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599067 1104616674 /nfs/dbraw/zinc/61/66/74/1104616674.db2.gz AHZHCGIZNCQHBN-DYVFJYSZSA-N 2 1 310.844 3.486 20 0 DGADMP Clc1cccc2c1CC[C@@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)C2 ZINC001246600835 1104617789 /nfs/dbraw/zinc/61/77/89/1104617789.db2.gz DWGQDBBNQAHRLD-QAPCUYQASA-N 2 1 304.865 3.273 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601925 1104617864 /nfs/dbraw/zinc/61/78/64/1104617864.db2.gz HXSULNRXQORGCY-CMKODMSKSA-N 3 1 321.553 3.399 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246601925 1104617867 /nfs/dbraw/zinc/61/78/67/1104617867.db2.gz HXSULNRXQORGCY-CMKODMSKSA-N 2 1 321.553 3.399 20 0 DGADMP C1CCC2(CC1)CCC([N@H+]1CCOC3(CC[NH2+]CC3)C1)CC2 ZINC001246600661 1104618420 /nfs/dbraw/zinc/61/84/20/1104618420.db2.gz GSEDKCZABIGXFU-UHFFFAOYSA-N 2 1 306.494 3.334 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCNC[C@@H]2c2ccccc2)CC1 ZINC001246604941 1104621618 /nfs/dbraw/zinc/62/16/18/1104621618.db2.gz VXPNRPHDXMHAKK-SOAGJPPSSA-N 2 1 315.505 3.286 20 0 DGADMP CC[NH+](CC)C1CCC(N2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC001246604941 1104621621 /nfs/dbraw/zinc/62/16/21/1104621621.db2.gz VXPNRPHDXMHAKK-SOAGJPPSSA-N 2 1 315.505 3.286 20 0 DGADMP Fc1cccc2c1CC[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001246606829 1104621756 /nfs/dbraw/zinc/62/17/56/1104621756.db2.gz CBRDKMSCSBAVRD-MRXNPFEDSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246606908 1104622167 /nfs/dbraw/zinc/62/21/67/1104622167.db2.gz ONICCQJWPTUEHM-MOPGFXCFSA-N 2 1 302.437 3.291 20 0 DGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096418 1104622350 /nfs/dbraw/zinc/62/23/50/1104622350.db2.gz HYZIKBMUUPGWEQ-IBGZPJMESA-N 2 1 317.477 3.121 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246609376 1104624008 /nfs/dbraw/zinc/62/40/08/1104624008.db2.gz MZVYAXBRAVSXSY-HXUWFJFHSA-N 3 1 321.553 3.353 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246609376 1104624013 /nfs/dbraw/zinc/62/40/13/1104624013.db2.gz MZVYAXBRAVSXSY-HXUWFJFHSA-N 3 1 321.553 3.353 20 0 DGADMP Clc1ccc2c(c1)C1(CN2)CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246608699 1104624524 /nfs/dbraw/zinc/62/45/24/1104624524.db2.gz YDNJHQOVQASUIS-OAHLLOKOSA-N 2 1 319.880 3.241 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246610862 1104626124 /nfs/dbraw/zinc/62/61/24/1104626124.db2.gz OGNXXOUVZAQYRI-VQIMIIECSA-N 2 1 302.437 3.149 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246611692 1104626743 /nfs/dbraw/zinc/62/67/43/1104626743.db2.gz GYDYADGUOZBMNV-LJQANCHMSA-N 2 1 316.489 3.100 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246611326 1104626963 /nfs/dbraw/zinc/62/69/63/1104626963.db2.gz UMIAVRKZFGNWKG-RBUKOAKNSA-N 3 1 309.542 3.353 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246611326 1104626966 /nfs/dbraw/zinc/62/69/66/1104626966.db2.gz UMIAVRKZFGNWKG-RBUKOAKNSA-N 3 1 309.542 3.353 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[NH+]3CC4(C3)CC[NH2+]C4)ccc2c1 ZINC001246612311 1104628453 /nfs/dbraw/zinc/62/84/53/1104628453.db2.gz IMLHNTVHCMYJLR-INIZCTEOSA-N 2 1 324.468 3.465 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC001246620810 1104631287 /nfs/dbraw/zinc/63/12/87/1104631287.db2.gz ANMOFGLHTUDOIT-MJBXVCDLSA-N 2 1 311.256 3.002 20 0 DGADMP COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246627837 1104633865 /nfs/dbraw/zinc/63/38/65/1104633865.db2.gz AGNYBWKRRMICHE-XLIONFOSSA-N 2 1 314.473 3.161 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC001246628136 1104634983 /nfs/dbraw/zinc/63/49/83/1104634983.db2.gz XPQYFMFCFMVOAV-YSGRDPCXSA-N 2 1 324.468 3.321 20 0 DGADMP CCCCC[NH+]1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275120040 1104635286 /nfs/dbraw/zinc/63/52/86/1104635286.db2.gz BLWMBXOJAYJKLW-LJQANCHMSA-N 2 1 318.509 3.251 20 0 DGADMP CCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275120040 1104635290 /nfs/dbraw/zinc/63/52/90/1104635290.db2.gz BLWMBXOJAYJKLW-LJQANCHMSA-N 2 1 318.509 3.251 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246631129 1104636042 /nfs/dbraw/zinc/63/60/42/1104636042.db2.gz AWCYGCCONCXXEW-QXWDQEIOSA-N 2 1 310.485 3.497 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246631129 1104636044 /nfs/dbraw/zinc/63/60/44/1104636044.db2.gz AWCYGCCONCXXEW-QXWDQEIOSA-N 2 1 310.485 3.497 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CCC3(C[NH2+]C3)C1)C2 ZINC001246631748 1104636404 /nfs/dbraw/zinc/63/64/04/1104636404.db2.gz RTIJAGSAYRVWBB-CYBMUJFWSA-N 2 1 311.256 3.146 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CCC3(C[NH2+]C3)C1)C2 ZINC001246631748 1104636413 /nfs/dbraw/zinc/63/64/13/1104636413.db2.gz RTIJAGSAYRVWBB-CYBMUJFWSA-N 2 1 311.256 3.146 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631503 1104636675 /nfs/dbraw/zinc/63/66/75/1104636675.db2.gz QAEGVBKCKLTMIE-BBRMVZONSA-N 2 1 312.379 3.322 20 0 DGADMP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246633199 1104638240 /nfs/dbraw/zinc/63/82/40/1104638240.db2.gz JZMMSYAZQCJJBP-LPHOPBHVSA-N 2 1 320.427 3.430 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246633562 1104638558 /nfs/dbraw/zinc/63/85/58/1104638558.db2.gz LHTMMXYZFJFKKV-RBUKOAKNSA-N 2 1 302.437 3.291 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246641770 1104642062 /nfs/dbraw/zinc/64/20/62/1104642062.db2.gz FNUYYYPTLXYZDZ-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246641770 1104642065 /nfs/dbraw/zinc/64/20/65/1104642065.db2.gz FNUYYYPTLXYZDZ-LPHOPBHVSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001246644823 1104643152 /nfs/dbraw/zinc/64/31/52/1104643152.db2.gz LYXBMGMMTOAZIZ-OXJNMPFZSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648329 1104645448 /nfs/dbraw/zinc/64/54/48/1104645448.db2.gz XRWJLSQFNJOCAS-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648329 1104645452 /nfs/dbraw/zinc/64/54/52/1104645452.db2.gz XRWJLSQFNJOCAS-DUVNUKRYSA-N 2 1 323.278 3.064 20 0 DGADMP CCOC(=O)C1(C)CCC([N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246652498 1104649562 /nfs/dbraw/zinc/64/95/62/1104649562.db2.gz QAYLQHBUWYVVSN-KVZIAJEVSA-N 2 1 322.493 3.107 20 0 DGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246657382 1104651145 /nfs/dbraw/zinc/65/11/45/1104651145.db2.gz HUUSNQGTPCRNQH-SDPXSBNPSA-N 2 1 311.256 3.272 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH2+]CC[C@H]31)C2 ZINC001246676741 1104657276 /nfs/dbraw/zinc/65/72/76/1104657276.db2.gz SBJKDXBHLWUZPR-PVXIVEMSSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1C[C@H]3C[NH2+]CC[C@H]31)C2 ZINC001246676741 1104657278 /nfs/dbraw/zinc/65/72/78/1104657278.db2.gz SBJKDXBHLWUZPR-PVXIVEMSSA-N 2 1 311.256 3.144 20 0 DGADMP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001246678103 1104658237 /nfs/dbraw/zinc/65/82/37/1104658237.db2.gz NANXOIZVXGYIBL-GVDBMIGSSA-N 2 1 302.437 3.005 20 0 DGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC001246679323 1104658764 /nfs/dbraw/zinc/65/87/64/1104658764.db2.gz UMBHMKYVEVRMSV-NCXUSEDFSA-N 3 1 307.526 3.009 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246687774 1104661382 /nfs/dbraw/zinc/66/13/82/1104661382.db2.gz FVRXJNWAKHWJIM-GUDVDZBRSA-N 2 1 304.453 3.421 20 0 DGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC1 ZINC001246686273 1104661757 /nfs/dbraw/zinc/66/17/57/1104661757.db2.gz QKVCCMJRBVVPMP-HTQWQXTESA-N 2 1 306.494 3.044 20 0 DGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246690070 1104662397 /nfs/dbraw/zinc/66/23/97/1104662397.db2.gz JVYPTXDAGLZZSO-XOKHGSTOSA-N 2 1 310.844 3.295 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001246712760 1104665437 /nfs/dbraw/zinc/66/54/37/1104665437.db2.gz BVTFBIJINRNDJZ-UHOSZYNNSA-N 2 1 302.462 3.023 20 0 DGADMP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246768529 1104666864 /nfs/dbraw/zinc/66/68/64/1104666864.db2.gz FKVQFZVOZHADIZ-WOJBJXKFSA-N 2 1 324.468 3.490 20 0 DGADMP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246768529 1104666875 /nfs/dbraw/zinc/66/68/75/1104666875.db2.gz FKVQFZVOZHADIZ-WOJBJXKFSA-N 2 1 324.468 3.490 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246779030 1104668353 /nfs/dbraw/zinc/66/83/53/1104668353.db2.gz OVWZJPHWYOKZNE-CABCVRRESA-N 2 1 311.267 3.412 20 0 DGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001246776935 1104669385 /nfs/dbraw/zinc/66/93/85/1104669385.db2.gz JRXKCAWWSMDEFK-FFZOFVMBSA-N 2 1 316.489 3.097 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246781417 1104670441 /nfs/dbraw/zinc/67/04/41/1104670441.db2.gz FGQXEBFKBSODME-VUHPKUFZSA-N 2 1 300.446 3.203 20 0 DGADMP Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246782611 1104672398 /nfs/dbraw/zinc/67/23/98/1104672398.db2.gz RACGBGJTPSTOHZ-QZTJIDSGSA-N 2 1 314.473 3.370 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)[NH2+]1 ZINC001246782819 1104672546 /nfs/dbraw/zinc/67/25/46/1104672546.db2.gz UYDZAGXXCSSYQI-BWTSREIZSA-N 3 1 309.542 3.348 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246784395 1104673861 /nfs/dbraw/zinc/67/38/61/1104673861.db2.gz GGHCVQPOGYVWNW-VUHPKUFZSA-N 2 1 302.462 3.449 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246784662 1104674031 /nfs/dbraw/zinc/67/40/31/1104674031.db2.gz HNYVUJKBGZYDBG-BHIYHBOVSA-N 2 1 300.446 3.062 20 0 DGADMP Cc1ccc(O[C@@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246786350 1104675332 /nfs/dbraw/zinc/67/53/32/1104675332.db2.gz NXKXFSYUHUODRJ-LJQANCHMSA-N 2 1 314.473 3.370 20 0 DGADMP C[C@H]1C[C@H]([NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246789273 1104675998 /nfs/dbraw/zinc/67/59/98/1104675998.db2.gz JSVFEEZGCJUAOS-SUMWQHHRSA-N 2 1 320.864 3.375 20 0 DGADMP c1ccc(COC[C@@H]2CC[N@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246789657 1104676166 /nfs/dbraw/zinc/67/61/66/1104676166.db2.gz DPVGJAAJMQNOMJ-HSALFYBXSA-N 2 1 314.473 3.200 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246791033 1104677402 /nfs/dbraw/zinc/67/74/02/1104677402.db2.gz PQFSZXUZXMPLAT-BZUAXINKSA-N 2 1 324.509 3.207 20 0 DGADMP c1ccc(O[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246791442 1104678333 /nfs/dbraw/zinc/67/83/33/1104678333.db2.gz YOPHUPDILXKDGB-FUHWJXTLSA-N 2 1 300.446 3.062 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246796663 1104680874 /nfs/dbraw/zinc/68/08/74/1104680874.db2.gz JXUAXEPDAVBOLL-BXWFABGCSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246798262 1104680880 /nfs/dbraw/zinc/68/08/80/1104680880.db2.gz NQKZIADYUFWNOT-BMGDILEWSA-N 2 1 322.880 3.462 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC[NH2+]1 ZINC001246799863 1104682484 /nfs/dbraw/zinc/68/24/84/1104682484.db2.gz PBPBIICJFKUSSM-ZIFCJYIRSA-N 2 1 317.477 3.236 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246801930 1104682791 /nfs/dbraw/zinc/68/27/91/1104682791.db2.gz URFRBMOQQDHFSE-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)o1 ZINC001275239589 1104687295 /nfs/dbraw/zinc/68/72/95/1104687295.db2.gz GNCPDESCZMTQIM-MSOLQXFVSA-N 2 1 314.433 3.036 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814157 1104689018 /nfs/dbraw/zinc/68/90/18/1104689018.db2.gz OBRYEVRTKYZJOW-GXTWGEPZSA-N 2 1 316.367 3.058 20 0 DGADMP COc1ccc(CC[N@@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246815655 1104690299 /nfs/dbraw/zinc/69/02/99/1104690299.db2.gz ZUHDIYMKGFOWCT-MJGOQNOKSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC001246820569 1104692004 /nfs/dbraw/zinc/69/20/04/1104692004.db2.gz HWYMOYHHHATFRQ-INWMFGNUSA-N 2 1 323.278 3.379 20 0 DGADMP FC(F)(F)c1ccc([C@H]2CC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246829538 1104695111 /nfs/dbraw/zinc/69/51/11/1104695111.db2.gz LFVQJWOGNYKCPO-LJIGWXMPSA-N 2 1 324.390 3.493 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)c1C ZINC001246835956 1104697409 /nfs/dbraw/zinc/69/74/09/1104697409.db2.gz MACJYRUUXBJQDR-SFHVURJKSA-N 2 1 313.489 3.100 20 0 DGADMP COCCC[N@@H+]([C@H](C)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246835296 1104698457 /nfs/dbraw/zinc/69/84/57/1104698457.db2.gz IJSUXNRGYQBLBG-OAHLLOKOSA-N 2 1 324.896 3.362 20 0 DGADMP c1ccc(CO[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246839605 1104699619 /nfs/dbraw/zinc/69/96/19/1104699619.db2.gz CXQMHRAHVIOYNU-IYWMVGAKSA-N 2 1 314.473 3.341 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001246841264 1104702147 /nfs/dbraw/zinc/70/21/47/1104702147.db2.gz AFQQAXOLRTXFIC-DAWZGUTISA-N 2 1 322.880 3.418 20 0 DGADMP CC[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC([NH2+]C)CC1 ZINC001246842019 1104702886 /nfs/dbraw/zinc/70/28/86/1104702886.db2.gz SRAWYLXQDZYBFT-MHJFOBGBSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275281253 1104704612 /nfs/dbraw/zinc/70/46/12/1104704612.db2.gz TZGQMQBBRIUPGU-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246845745 1104704856 /nfs/dbraw/zinc/70/48/56/1104704856.db2.gz NPKRBVZPJFSYOQ-XBMUEBEBSA-N 2 1 302.462 3.371 20 0 DGADMP Cc1ccccc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001275281264 1104705180 /nfs/dbraw/zinc/70/51/80/1104705180.db2.gz UIOINWRXOMJADU-UHFFFAOYSA-N 2 1 309.457 3.421 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246847215 1104705387 /nfs/dbraw/zinc/70/53/87/1104705387.db2.gz QWRABNXDHHHRRH-LJQANCHMSA-N 2 1 316.489 3.097 20 0 DGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246847215 1104705395 /nfs/dbraw/zinc/70/53/95/1104705395.db2.gz QWRABNXDHHHRRH-LJQANCHMSA-N 2 1 316.489 3.097 20 0 DGADMP c1ccc(C[C@H]2C[C@@H]([NH+]3CC(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246851026 1104706419 /nfs/dbraw/zinc/70/64/19/1104706419.db2.gz XUBOOCZLOYOLDH-SFTDATJTSA-N 2 1 306.453 3.449 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848676 1104706885 /nfs/dbraw/zinc/70/68/85/1104706885.db2.gz ZPVHNKGLSSXXBL-CVEARBPZSA-N 2 1 304.434 3.158 20 0 DGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC001246848676 1104706892 /nfs/dbraw/zinc/70/68/92/1104706892.db2.gz ZPVHNKGLSSXXBL-CVEARBPZSA-N 2 1 304.434 3.158 20 0 DGADMP Clc1ccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246849866 1104707614 /nfs/dbraw/zinc/70/76/14/1104707614.db2.gz GKLRCCHZPANMMH-CXHZTBPHSA-N 2 1 320.864 3.181 20 0 DGADMP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246854198 1104708507 /nfs/dbraw/zinc/70/85/07/1104708507.db2.gz NNGAMAMVTBNDSZ-MISYRCLQSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246861970 1104711262 /nfs/dbraw/zinc/71/12/62/1104711262.db2.gz SQFOFOLCRTXPNC-QTXGHNMQSA-N 2 1 310.445 3.189 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246860142 1104711340 /nfs/dbraw/zinc/71/13/40/1104711340.db2.gz GSYCHXMRQMNJFF-HKUYNNGSSA-N 2 1 304.478 3.336 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246862888 1104711589 /nfs/dbraw/zinc/71/15/89/1104711589.db2.gz SGUWSDYSQTZWJZ-INWMFGNUSA-N 2 1 323.278 3.193 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246864981 1104713110 /nfs/dbraw/zinc/71/31/10/1104713110.db2.gz QZYIPWUHDXUAIF-SMDDNHRTSA-N 2 1 313.272 3.392 20 0 DGADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246875413 1104716455 /nfs/dbraw/zinc/71/64/55/1104716455.db2.gz VKEVEUGCONBGPI-RTBURBONSA-N 2 1 309.542 3.480 20 0 DGADMP CC[C@H]1CC([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H](CC)[NH2+]1 ZINC001246875717 1104717074 /nfs/dbraw/zinc/71/70/74/1104717074.db2.gz NYDVKIBPADGFMN-IRXDYDNUSA-N 2 1 318.461 3.214 20 0 DGADMP CC[C@H]1CC([N@@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H](CC)[NH2+]1 ZINC001246875717 1104717083 /nfs/dbraw/zinc/71/70/83/1104717083.db2.gz NYDVKIBPADGFMN-IRXDYDNUSA-N 2 1 318.461 3.214 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246879701 1104717819 /nfs/dbraw/zinc/71/78/19/1104717819.db2.gz FWYKMNZQRXMFCW-XUJVJEKNSA-N 2 1 311.267 3.049 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246878585 1104717913 /nfs/dbraw/zinc/71/79/13/1104717913.db2.gz WWEPVVDYXHMPDK-JKSUJKDBSA-N 2 1 322.493 3.105 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246879607 1104717989 /nfs/dbraw/zinc/71/79/89/1104717989.db2.gz XDBMHXHVTCAAMC-HBFSDRIKSA-N 2 1 314.473 3.407 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246879182 1104718544 /nfs/dbraw/zinc/71/85/44/1104718544.db2.gz MUYBLVOCLZPICS-DKKFBQAASA-N 2 1 318.436 3.181 20 0 DGADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246879182 1104718552 /nfs/dbraw/zinc/71/85/52/1104718552.db2.gz MUYBLVOCLZPICS-DKKFBQAASA-N 2 1 318.436 3.181 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246881263 1104719950 /nfs/dbraw/zinc/71/99/50/1104719950.db2.gz LWQGDXIPZIOBCM-YYIAUSFCSA-N 2 1 324.509 3.492 20 0 DGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246886735 1104722673 /nfs/dbraw/zinc/72/26/73/1104722673.db2.gz IBGMTWVRLOGAIN-AZUAARDMSA-N 2 1 316.489 3.182 20 0 DGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246891962 1104726500 /nfs/dbraw/zinc/72/65/00/1104726500.db2.gz ZGUQJOPWBNFNCS-SJLPKXTDSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCN(c3cccc4sccc43)CC2)CC[NH2+]1 ZINC001246899193 1104727793 /nfs/dbraw/zinc/72/77/93/1104727793.db2.gz QMLYPGHABJOSGH-HUUCEWRRSA-N 2 1 315.486 3.164 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246904765 1104729782 /nfs/dbraw/zinc/72/97/82/1104729782.db2.gz YGXYDDPWGWXHRF-NXOAAHMSSA-N 2 1 324.509 3.349 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC001246911229 1104733377 /nfs/dbraw/zinc/73/33/77/1104733377.db2.gz AHTCGKICVWQXLM-SZMVWBNQSA-N 2 1 302.462 3.090 20 0 DGADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246912627 1104734649 /nfs/dbraw/zinc/73/46/49/1104734649.db2.gz UKPOZBHGEKUAEU-ZUPWUQBJSA-N 3 1 315.505 3.289 20 0 DGADMP CC[C@H]1C[C@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC)CC[NH2+]1 ZINC001246917694 1104737202 /nfs/dbraw/zinc/73/72/02/1104737202.db2.gz SDSZACJAQZZHQP-SLFFLAALSA-N 2 1 315.505 3.113 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246918202 1104737260 /nfs/dbraw/zinc/73/72/60/1104737260.db2.gz ZVPGFEAQCUNPJF-ROUUACIJSA-N 2 1 316.489 3.480 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246918200 1104737417 /nfs/dbraw/zinc/73/74/17/1104737417.db2.gz ZVPGFEAQCUNPJF-MSOLQXFVSA-N 2 1 316.489 3.480 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920061 1104738074 /nfs/dbraw/zinc/73/80/74/1104738074.db2.gz IWPZNOPMESOANR-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H](Cc1cccnc1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920061 1104738079 /nfs/dbraw/zinc/73/80/79/1104738079.db2.gz IWPZNOPMESOANR-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246924079 1104738831 /nfs/dbraw/zinc/73/88/31/1104738831.db2.gz YKUVJYLIOPOQER-GPANFISMSA-N 2 1 308.416 3.285 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246920780 1104739308 /nfs/dbraw/zinc/73/93/08/1104739308.db2.gz JSYMEEABYXFNBB-GUDVDZBRSA-N 2 1 302.462 3.198 20 0 DGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246920780 1104739311 /nfs/dbraw/zinc/73/93/11/1104739311.db2.gz JSYMEEABYXFNBB-GUDVDZBRSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1CC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246931655 1104741690 /nfs/dbraw/zinc/74/16/90/1104741690.db2.gz BKZOLBKWZYXTCH-RKVPGOIHSA-N 2 1 320.452 3.336 20 0 DGADMP C[C@@H]1CC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246931655 1104741693 /nfs/dbraw/zinc/74/16/93/1104741693.db2.gz BKZOLBKWZYXTCH-RKVPGOIHSA-N 2 1 320.452 3.336 20 0 DGADMP CCC[C@@H]1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246930114 1104741873 /nfs/dbraw/zinc/74/18/73/1104741873.db2.gz QHDJILICJCFIAT-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP COC1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246932940 1104741961 /nfs/dbraw/zinc/74/19/61/1104741961.db2.gz DNFQYIHJCORBOA-XBMUEBEBSA-N 2 1 320.452 3.337 20 0 DGADMP COC1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246932940 1104741965 /nfs/dbraw/zinc/74/19/65/1104741965.db2.gz DNFQYIHJCORBOA-XBMUEBEBSA-N 2 1 320.452 3.337 20 0 DGADMP CCCC[C@@H]1CN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246935709 1104743120 /nfs/dbraw/zinc/74/31/20/1104743120.db2.gz VMCJNMZEOPJDFZ-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CCOC(=O)CCC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935457 1104743673 /nfs/dbraw/zinc/74/36/73/1104743673.db2.gz FGFCANFHPNFHFQ-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP c1nc2c(s1)C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)CC2 ZINC001246938068 1104744543 /nfs/dbraw/zinc/74/45/43/1104744543.db2.gz OPXICOPXBGUGMM-GDBMZVCRSA-N 2 1 319.518 3.245 20 0 DGADMP COCc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)s1 ZINC001275395605 1104746243 /nfs/dbraw/zinc/74/62/43/1104746243.db2.gz DBORBQVGXAPBJI-UHFFFAOYSA-N 2 1 308.491 3.202 20 0 DGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](C(C)C)C1)CCC2 ZINC001246946241 1104746881 /nfs/dbraw/zinc/74/68/81/1104746881.db2.gz OLDHEKZIMRVWAI-IEBWSBKVSA-N 2 1 302.462 3.220 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246945115 1104747112 /nfs/dbraw/zinc/74/71/12/1104747112.db2.gz FMUHSSGBCXKOKL-RDJZCZTQSA-N 2 1 324.509 3.208 20 0 DGADMP CC(C)(C)C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246945667 1104747224 /nfs/dbraw/zinc/74/72/24/1104747224.db2.gz HUXFYTUKVJSRET-HKUYNNGSSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@H+](C1CCNCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246945667 1104747228 /nfs/dbraw/zinc/74/72/28/1104747228.db2.gz HUXFYTUKVJSRET-HKUYNNGSSA-N 2 1 307.526 3.009 20 0 DGADMP CC(C)(C)C[N@@H+](C1CCNCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246945667 1104747236 /nfs/dbraw/zinc/74/72/36/1104747236.db2.gz HUXFYTUKVJSRET-HKUYNNGSSA-N 2 1 307.526 3.009 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246946842 1104748094 /nfs/dbraw/zinc/74/80/94/1104748094.db2.gz PTPZMPKNHJFHIU-ALXJQNPVSA-N 3 1 309.542 3.396 20 0 DGADMP CC[C@@H]1C[C@@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246946842 1104748098 /nfs/dbraw/zinc/74/80/98/1104748098.db2.gz PTPZMPKNHJFHIU-ALXJQNPVSA-N 3 1 309.542 3.396 20 0 DGADMP [NH3+]C[C@@]1(F)CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246947360 1104748216 /nfs/dbraw/zinc/74/82/16/1104748216.db2.gz WVTJRLIULNBMEF-KVZIAJEVSA-N 2 1 302.437 3.186 20 0 DGADMP C1CC2(C[C@H]1[N@H+]1CCOC[C@@H]1C1CCCCC1)CC[NH2+]CC2 ZINC001246947379 1104748330 /nfs/dbraw/zinc/74/83/30/1104748330.db2.gz XHFAZHTYELYSKL-ZWKOTPCHSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948425 1104748450 /nfs/dbraw/zinc/74/84/50/1104748450.db2.gz QBIJFKOEHYKDOR-WSNQVKOXSA-N 2 1 314.807 3.089 20 0 DGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949311 1104749491 /nfs/dbraw/zinc/74/94/91/1104749491.db2.gz JMKDBMUUOONDLH-FQEVSTJZSA-N 2 1 318.505 3.488 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC001246950797 1104749519 /nfs/dbraw/zinc/74/95/19/1104749519.db2.gz XGRLXCPUIFMFMS-CCARFGRDSA-N 2 1 324.468 3.319 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246951085 1104749713 /nfs/dbraw/zinc/74/97/13/1104749713.db2.gz RUONJUFGBGDXRU-HNNXBMFYSA-N 2 1 312.498 3.207 20 0 DGADMP CCOCC[N@@H+]([C@@H](C)Cc1ccc(CC)cc1)C1CC[NH2+]CC1 ZINC001246951300 1104749943 /nfs/dbraw/zinc/74/99/43/1104749943.db2.gz SZMJAOIBTHKOIK-KRWDZBQOSA-N 2 1 318.505 3.271 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC001246950799 1104750104 /nfs/dbraw/zinc/75/01/04/1104750104.db2.gz XGRLXCPUIFMFMS-PLBGURBNSA-N 2 1 324.468 3.319 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CCc1ccc(OC)cc1 ZINC001246971319 1104755077 /nfs/dbraw/zinc/75/50/77/1104755077.db2.gz AHRIOZAHMNGREQ-FUHWJXTLSA-N 2 1 304.478 3.338 20 0 DGADMP Clc1cccc2c1C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970699 1104755417 /nfs/dbraw/zinc/75/54/17/1104755417.db2.gz BWROHAWFTHOWSF-XJKSGUPXSA-N 2 1 304.865 3.271 20 0 DGADMP Fc1cccc2c1C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246972560 1104755899 /nfs/dbraw/zinc/75/58/99/1104755899.db2.gz KJMNHUIJXAOACV-YOEHRIQHSA-N 2 1 302.437 3.147 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246972292 1104756316 /nfs/dbraw/zinc/75/63/16/1104756316.db2.gz CWZOLUTXNRPEBV-BBRMVZONSA-N 2 1 308.416 3.144 20 0 DGADMP Fc1cccc2c1CC[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246973691 1104757229 /nfs/dbraw/zinc/75/72/29/1104757229.db2.gz PIKZBFGHYJXRQO-PBHICJAKSA-N 2 1 302.437 3.147 20 0 DGADMP c1ccc2c(c1)C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CS2 ZINC001246975589 1104758266 /nfs/dbraw/zinc/75/82/66/1104758266.db2.gz LXIRAWYJPQRGSZ-KRWDZBQOSA-N 2 1 302.487 3.310 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246977170 1104760113 /nfs/dbraw/zinc/76/01/13/1104760113.db2.gz CJKCLZRDFVVWRH-JQHSSLGASA-N 2 1 306.425 3.055 20 0 DGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246976463 1104760175 /nfs/dbraw/zinc/76/01/75/1104760175.db2.gz QKEOWRWKDSKOHV-XJKSGUPXSA-N 2 1 308.416 3.144 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246977017 1104760186 /nfs/dbraw/zinc/76/01/86/1104760186.db2.gz RGWCCUDZJXVOOT-CJNGLKHVSA-N 2 1 308.416 3.144 20 0 DGADMP C1CCC([N@H+]2CCC[C@@H](N([C@H]3CC[NH2+]C3)C3CCCCC3)C2)C1 ZINC001246980972 1104761475 /nfs/dbraw/zinc/76/14/75/1104761475.db2.gz VDMATBBODXPRGL-VQTJNVASSA-N 2 1 319.537 3.390 20 0 DGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246993079 1104766199 /nfs/dbraw/zinc/76/61/99/1104766199.db2.gz KFNRGWPPRFDJAN-HBUWYVDXSA-N 2 1 316.445 3.139 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC[NH2+]1 ZINC001246996968 1104768539 /nfs/dbraw/zinc/76/85/39/1104768539.db2.gz JEOBCQGQFWBFGQ-CLCXKQKWSA-N 2 1 302.437 3.246 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246995697 1104769139 /nfs/dbraw/zinc/76/91/39/1104769139.db2.gz CZMVQNGEHZKOSG-YWZLYKJASA-N 2 1 314.448 3.248 20 0 DGADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246998382 1104770452 /nfs/dbraw/zinc/77/04/52/1104770452.db2.gz FOYKKHAQLLONGB-XYPWUTKMSA-N 2 1 312.379 3.463 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+]([C@@H]3CCC4(C[NH2+]C4)C3)CC[C@@H]1N2 ZINC001246998530 1104770519 /nfs/dbraw/zinc/77/05/19/1104770519.db2.gz COKJPTAYIJMWEB-KMFMINBZSA-N 2 1 317.864 3.066 20 0 DGADMP CO[C@H]1CCC[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247002021 1104772524 /nfs/dbraw/zinc/77/25/24/1104772524.db2.gz KJVIPRUVMWRGBE-ROUUACIJSA-N 2 1 314.473 3.081 20 0 DGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007568 1104773683 /nfs/dbraw/zinc/77/36/83/1104773683.db2.gz YJXCJIFVVDRMLF-CRAIPNDOSA-N 2 1 319.468 3.035 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC001247006624 1104774320 /nfs/dbraw/zinc/77/43/20/1104774320.db2.gz VGAVTRILPUKRIZ-UNSNBMSVSA-N 2 1 319.880 3.452 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC001247006624 1104774326 /nfs/dbraw/zinc/77/43/26/1104774326.db2.gz VGAVTRILPUKRIZ-UNSNBMSVSA-N 2 1 319.880 3.452 20 0 DGADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008021 1104774637 /nfs/dbraw/zinc/77/46/37/1104774637.db2.gz XQMJYEUTMZQUEO-UNEWFSDZSA-N 2 1 319.880 3.454 20 0 DGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH2+]1 ZINC001247008021 1104774642 /nfs/dbraw/zinc/77/46/42/1104774642.db2.gz XQMJYEUTMZQUEO-UNEWFSDZSA-N 2 1 319.880 3.454 20 0 DGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247008662 1104775707 /nfs/dbraw/zinc/77/57/07/1104775707.db2.gz NOPOSPSGFWFBPM-IRXDYDNUSA-N 2 1 324.509 3.066 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590301 1104823938 /nfs/dbraw/zinc/82/39/38/1104823938.db2.gz BABMMKMQYNWQLH-LJQANCHMSA-N 2 1 313.445 3.181 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590301 1104823948 /nfs/dbraw/zinc/82/39/48/1104823948.db2.gz BABMMKMQYNWQLH-LJQANCHMSA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590301 1104823955 /nfs/dbraw/zinc/82/39/55/1104823955.db2.gz BABMMKMQYNWQLH-LJQANCHMSA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c4ccc(O)cc34)C2)C1 ZINC001275590301 1104823962 /nfs/dbraw/zinc/82/39/62/1104823962.db2.gz BABMMKMQYNWQLH-LJQANCHMSA-N 2 1 313.445 3.181 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccn1)Cc1ccccc12 ZINC001275869898 1104938923 /nfs/dbraw/zinc/93/89/23/1104938923.db2.gz CJTAIKMTPDUVHW-UHFFFAOYSA-N 2 1 307.441 3.061 20 0 DGADMP Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)n1 ZINC001275875554 1104941404 /nfs/dbraw/zinc/94/14/04/1104941404.db2.gz YAQKONPQQZYZTD-UHFFFAOYSA-N 2 1 324.472 3.206 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1-c1cncnc1)C2 ZINC001275894405 1104947748 /nfs/dbraw/zinc/94/77/48/1104947748.db2.gz JSKPXDQPDOTPDC-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001275894405 1104947754 /nfs/dbraw/zinc/94/77/54/1104947754.db2.gz JSKPXDQPDOTPDC-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1-c1cncnc1)C2 ZINC001275894405 1104947759 /nfs/dbraw/zinc/94/77/59/1104947759.db2.gz JSKPXDQPDOTPDC-FQEVSTJZSA-N 2 1 322.456 3.061 20 0 DGADMP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001275959368 1104968617 /nfs/dbraw/zinc/96/86/17/1104968617.db2.gz CNOUEOHWLNOFSP-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001275959368 1104968621 /nfs/dbraw/zinc/96/86/21/1104968621.db2.gz CNOUEOHWLNOFSP-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP CCCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001275959368 1104968622 /nfs/dbraw/zinc/96/86/22/1104968622.db2.gz CNOUEOHWLNOFSP-HDICACEKSA-N 2 1 302.462 3.249 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@@H]1C)C2 ZINC001276030295 1104991612 /nfs/dbraw/zinc/99/16/12/1104991612.db2.gz CPCKQPCRFPOBNQ-ZVZYQTTQSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@@H]1C)C2 ZINC001276030295 1104991616 /nfs/dbraw/zinc/99/16/16/1104991616.db2.gz CPCKQPCRFPOBNQ-ZVZYQTTQSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H]1C)C2 ZINC001276030295 1104991621 /nfs/dbraw/zinc/99/16/21/1104991621.db2.gz CPCKQPCRFPOBNQ-ZVZYQTTQSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H]1C)C2 ZINC001276030295 1104991624 /nfs/dbraw/zinc/99/16/24/1104991624.db2.gz CPCKQPCRFPOBNQ-ZVZYQTTQSA-N 2 1 319.518 3.395 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnccc3C(F)(F)F)(C1)CCC2 ZINC001276155989 1105033284 /nfs/dbraw/zinc/03/32/84/1105033284.db2.gz MAKFZZXKDKPWGZ-LSDHHAIUSA-N 2 1 313.367 3.255 20 0 DGADMP CC(C)Oc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001276163678 1105034598 /nfs/dbraw/zinc/03/45/98/1105034598.db2.gz GFSRDNJFSPZJPG-UHFFFAOYSA-N 2 1 302.462 3.392 20 0 DGADMP CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[C@H]1[NH3+] ZINC000719951438 1105045159 /nfs/dbraw/zinc/04/51/59/1105045159.db2.gz AGMWPIZLMURXEW-ZCNNSNEGSA-N 2 1 315.505 3.100 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc(C[N@@H+](C)C3CCCC3)n2)cc1 ZINC001248140197 1105053357 /nfs/dbraw/zinc/05/33/57/1105053357.db2.gz ONOJYFSEPNAUME-UHFFFAOYSA-N 2 1 314.433 3.173 20 0 DGADMP CCc1cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)ccc1F ZINC001248194865 1105065444 /nfs/dbraw/zinc/06/54/44/1105065444.db2.gz OTZDOSKCISXEFN-HNNXBMFYSA-N 2 1 320.412 3.170 20 0 DGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC001248194881 1105065570 /nfs/dbraw/zinc/06/55/70/1105065570.db2.gz PYCIFJXZMLEVLN-ZDUSSCGKSA-N 2 1 308.813 3.122 20 0 DGADMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)n(C)n1 ZINC001276264037 1105067601 /nfs/dbraw/zinc/06/76/01/1105067601.db2.gz CQZVYRMRZCDJSM-RBUKOAKNSA-N 2 1 316.493 3.196 20 0 DGADMP Fc1ccc2occc2c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001248524055 1105122391 /nfs/dbraw/zinc/12/23/91/1105122391.db2.gz MKTXMRIQFBGVGO-UHFFFAOYSA-N 2 1 311.360 3.289 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC[N@@H+]3C(C)(C)C)n2)cc1 ZINC001249233565 1105252830 /nfs/dbraw/zinc/25/28/30/1105252830.db2.gz BNOKSBBONWDUPA-OAHLLOKOSA-N 2 1 314.433 3.344 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC[N@H+]3C(C)(C)C)n2)cc1 ZINC001249233565 1105252835 /nfs/dbraw/zinc/25/28/35/1105252835.db2.gz BNOKSBBONWDUPA-OAHLLOKOSA-N 2 1 314.433 3.344 20 0 DGADMP Cc1cc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)c[nH+]c1N ZINC001249791442 1105383837 /nfs/dbraw/zinc/38/38/37/1105383837.db2.gz ZXHPLEBMZYWVKS-UHFFFAOYSA-N 2 1 312.417 3.189 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)C[C@H]2C1 ZINC001137342732 1105491278 /nfs/dbraw/zinc/49/12/78/1105491278.db2.gz KQWWLJUNAFYRFX-HUUCEWRRSA-N 2 1 301.409 3.081 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001138088730 1105512238 /nfs/dbraw/zinc/51/22/38/1105512238.db2.gz CMJRLJMGQXVLRM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001138088730 1105512243 /nfs/dbraw/zinc/51/22/43/1105512243.db2.gz CMJRLJMGQXVLRM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001138088730 1105512249 /nfs/dbraw/zinc/51/22/49/1105512249.db2.gz CMJRLJMGQXVLRM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001138088730 1105512251 /nfs/dbraw/zinc/51/22/51/1105512251.db2.gz CMJRLJMGQXVLRM-YPMHNXCESA-N 2 1 316.342 3.228 20 0 DGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccnc2Cl)CC1 ZINC001137423742 1105520184 /nfs/dbraw/zinc/52/01/84/1105520184.db2.gz QEPLHKVGEDRYBM-UHFFFAOYSA-N 2 1 316.836 3.177 20 0 DGADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001252106822 1105741048 /nfs/dbraw/zinc/74/10/48/1105741048.db2.gz CAWNZKSFNRNDIS-LWYYNNOASA-N 2 1 316.489 3.038 20 0 DGADMP CCC[C@@H](O)C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001252780048 1105829996 /nfs/dbraw/zinc/82/99/96/1105829996.db2.gz MFCYLAQXLQBLBG-SJLPKXTDSA-N 2 1 320.477 3.117 20 0 DGADMP CCC[C@H]1CCCC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926994 1105855099 /nfs/dbraw/zinc/85/50/99/1105855099.db2.gz DCHAHYQPYZCOKU-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@H]1CCCC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252926994 1105855106 /nfs/dbraw/zinc/85/51/06/1105855106.db2.gz DCHAHYQPYZCOKU-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@H]1CCCC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252926994 1105855110 /nfs/dbraw/zinc/85/51/10/1105855110.db2.gz DCHAHYQPYZCOKU-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP CCC[C@H]1CCCC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252926994 1105855118 /nfs/dbraw/zinc/85/51/18/1105855118.db2.gz DCHAHYQPYZCOKU-VQTJNVASSA-N 2 1 316.489 3.278 20 0 DGADMP O[C@@]1(C[N@@H+]2CCC23CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001252924332 1105855152 /nfs/dbraw/zinc/85/51/52/1105855152.db2.gz XERGOZFRMOYZOX-FQEVSTJZSA-N 2 1 314.473 3.032 20 0 DGADMP O[C@@]1(C[N@H+]2CCC23CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001252924332 1105855160 /nfs/dbraw/zinc/85/51/60/1105855160.db2.gz XERGOZFRMOYZOX-FQEVSTJZSA-N 2 1 314.473 3.032 20 0 DGADMP O[C@@]1(C[NH+]2CCC23CCCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001252924332 1105855166 /nfs/dbraw/zinc/85/51/66/1105855166.db2.gz XERGOZFRMOYZOX-FQEVSTJZSA-N 2 1 314.473 3.032 20 0 DGADMP O[C@@]1(C[NH+]2CCC23CCCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001252924332 1105855173 /nfs/dbraw/zinc/85/51/73/1105855173.db2.gz XERGOZFRMOYZOX-FQEVSTJZSA-N 2 1 314.473 3.032 20 0 DGADMP O[C@]1(CNc2cc[nH+]c(C3CC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252921215 1105855210 /nfs/dbraw/zinc/85/52/10/1105855210.db2.gz PANRDNQSXGQBFV-FQEVSTJZSA-N 2 1 323.440 3.008 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001253189481 1105900588 /nfs/dbraw/zinc/90/05/88/1105900588.db2.gz IYSNXGRLXKYSOC-FQEVSTJZSA-N 2 1 318.505 3.034 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccc(F)cc1 ZINC001253211103 1105903706 /nfs/dbraw/zinc/90/37/06/1105903706.db2.gz ATZTYULRKFFKAD-RBUKOAKNSA-N 2 1 322.468 3.349 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccc(F)cc1 ZINC001253211104 1105903969 /nfs/dbraw/zinc/90/39/69/1105903969.db2.gz ATZTYULRKFFKAD-RTBURBONSA-N 2 1 322.468 3.349 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC001253613242 1105964632 /nfs/dbraw/zinc/96/46/32/1105964632.db2.gz ZSGFWDDTGYBULS-QWFCFKBJSA-N 2 1 316.489 3.476 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254030023 1106011644 /nfs/dbraw/zinc/01/16/44/1106011644.db2.gz SYNWEKXCGSUXNS-UHFFFAOYSA-N 2 1 324.468 3.146 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCCOC2)CC1 ZINC001254383456 1106062987 /nfs/dbraw/zinc/06/29/87/1106062987.db2.gz FTIYCORGXOLWCT-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254383456 1106062988 /nfs/dbraw/zinc/06/29/88/1106062988.db2.gz FTIYCORGXOLWCT-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254383456 1106062991 /nfs/dbraw/zinc/06/29/91/1106062991.db2.gz FTIYCORGXOLWCT-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001254499658 1106082926 /nfs/dbraw/zinc/08/29/26/1106082926.db2.gz MAXDTHSLPPWSKS-LBPRGKRZSA-N 2 1 304.331 3.418 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254519050 1106090175 /nfs/dbraw/zinc/09/01/75/1106090175.db2.gz GBACBCJVALDTGD-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](Cc1cccc(Br)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254519050 1106090181 /nfs/dbraw/zinc/09/01/81/1106090181.db2.gz GBACBCJVALDTGD-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccccc2Br)CC1 ZINC001254499677 1106084143 /nfs/dbraw/zinc/08/41/43/1106084143.db2.gz MTKOHXOVFCBGDO-AWEZNQCLSA-N 2 1 311.267 3.066 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001254506752 1106084529 /nfs/dbraw/zinc/08/45/29/1106084529.db2.gz ZBZWZGAEUOTHJG-RISCZKNCSA-N 2 1 317.260 3.101 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001254504397 1106084857 /nfs/dbraw/zinc/08/48/57/1106084857.db2.gz ALODZBQXXKKSJD-AWEZNQCLSA-N 2 1 316.367 3.202 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001254506916 1106085409 /nfs/dbraw/zinc/08/54/09/1106085409.db2.gz CSDRXGLTVLWVJA-GOSISDBHSA-N 2 1 302.462 3.439 20 0 DGADMP COc1cccc(CC(C)(C)C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254511117 1106086432 /nfs/dbraw/zinc/08/64/32/1106086432.db2.gz VZXIIXATOAQTOD-QGZVFWFLSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254513382 1106088048 /nfs/dbraw/zinc/08/80/48/1106088048.db2.gz XNJWUJMYDSYSAY-SFHVURJKSA-N 2 1 316.489 3.482 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254513381 1106089020 /nfs/dbraw/zinc/08/90/20/1106089020.db2.gz XNJWUJMYDSYSAY-GOSISDBHSA-N 2 1 316.489 3.482 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001254521917 1106089714 /nfs/dbraw/zinc/08/97/14/1106089714.db2.gz ACMWEEFXEHRDQC-DOTOQJQBSA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001254521917 1106089717 /nfs/dbraw/zinc/08/97/17/1106089717.db2.gz ACMWEEFXEHRDQC-DOTOQJQBSA-N 2 1 305.491 3.122 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001254521917 1106089720 /nfs/dbraw/zinc/08/97/20/1106089720.db2.gz ACMWEEFXEHRDQC-DOTOQJQBSA-N 2 1 305.491 3.122 20 0 DGADMP C[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254519050 1106090170 /nfs/dbraw/zinc/09/01/70/1106090170.db2.gz GBACBCJVALDTGD-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP COc1cccc([C@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254532506 1106097183 /nfs/dbraw/zinc/09/71/83/1106097183.db2.gz SXCZCXWBOMDPIV-ZWKOTPCHSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254532506 1106097186 /nfs/dbraw/zinc/09/71/86/1106097186.db2.gz SXCZCXWBOMDPIV-ZWKOTPCHSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254532506 1106097192 /nfs/dbraw/zinc/09/71/92/1106097192.db2.gz SXCZCXWBOMDPIV-ZWKOTPCHSA-N 2 1 302.462 3.359 20 0 DGADMP C[N@H+](C1C[C@H]2CC(=O)C[C@@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254964063 1106161535 /nfs/dbraw/zinc/16/15/35/1106161535.db2.gz QOFFISDGUIQKET-HOTGVXAUSA-N 2 1 318.505 3.473 20 0 DGADMP C[N@@H+](C1C[C@H]2CC(=O)C[C@@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254964063 1106161539 /nfs/dbraw/zinc/16/15/39/1106161539.db2.gz QOFFISDGUIQKET-HOTGVXAUSA-N 2 1 318.505 3.473 20 0 DGADMP [NH3+]CCCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001255100340 1106179754 /nfs/dbraw/zinc/17/97/54/1106179754.db2.gz ZMDBVXMWHMBFAF-HXUWFJFHSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+]CCC[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001255100340 1106179757 /nfs/dbraw/zinc/17/97/57/1106179757.db2.gz ZMDBVXMWHMBFAF-HXUWFJFHSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+]CCC[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001255100340 1106179761 /nfs/dbraw/zinc/17/97/61/1106179761.db2.gz ZMDBVXMWHMBFAF-HXUWFJFHSA-N 2 1 315.505 3.244 20 0 DGADMP [NH3+][C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001255102827 1106179877 /nfs/dbraw/zinc/17/98/77/1106179877.db2.gz OOGYICDBPOOAGU-IEBWSBKVSA-N 2 1 307.441 3.171 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255109076 1106181774 /nfs/dbraw/zinc/18/17/74/1106181774.db2.gz NLGPSLCFKPPVME-WOJBJXKFSA-N 2 1 315.505 3.102 20 0 DGADMP CC[NH+](CC)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255113962 1106182406 /nfs/dbraw/zinc/18/24/06/1106182406.db2.gz BTZCCDJLYMELHR-HXUWFJFHSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136472 1106187881 /nfs/dbraw/zinc/18/78/81/1106187881.db2.gz LJXYIVPTEXGJEU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136472 1106187885 /nfs/dbraw/zinc/18/78/85/1106187885.db2.gz LJXYIVPTEXGJEU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136472 1106187889 /nfs/dbraw/zinc/18/78/89/1106187889.db2.gz LJXYIVPTEXGJEU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136472 1106187893 /nfs/dbraw/zinc/18/78/93/1106187893.db2.gz LJXYIVPTEXGJEU-LFZDHENXSA-N 2 1 314.473 3.027 20 0 DGADMP [NH3+]CCCc1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137629 1106188253 /nfs/dbraw/zinc/18/82/53/1106188253.db2.gz ZGDZLMWNWOBHCC-BWTSREIZSA-N 2 1 324.472 3.143 20 0 DGADMP CC[N@@H+](CC(C)(C)O)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146372 1106190107 /nfs/dbraw/zinc/19/01/07/1106190107.db2.gz FTVSKCJEYLWECG-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146372 1106190108 /nfs/dbraw/zinc/19/01/08/1106190108.db2.gz FTVSKCJEYLWECG-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146372 1106190112 /nfs/dbraw/zinc/19/01/12/1106190112.db2.gz FTVSKCJEYLWECG-BWTSREIZSA-N 2 1 316.489 3.275 20 0 DGADMP CCOC(=O)C1CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001255261354 1106211924 /nfs/dbraw/zinc/21/19/24/1106211924.db2.gz GEWACKASWBXFNF-UHFFFAOYSA-N 2 1 324.509 3.161 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC001255279910 1106215052 /nfs/dbraw/zinc/21/50/52/1106215052.db2.gz QVFDZGYNNXGGDO-BPQIPLTHSA-N 2 1 304.503 3.240 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@H]4CCSC4)C3)C2)cc1 ZINC001255290933 1106216677 /nfs/dbraw/zinc/21/66/77/1106216677.db2.gz NVHAKTANMDWMDS-ROUUACIJSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@H]4CCSC4)C3)C2)cc1 ZINC001255290933 1106216681 /nfs/dbraw/zinc/21/66/81/1106216681.db2.gz NVHAKTANMDWMDS-ROUUACIJSA-N 2 1 302.487 3.090 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@H]4CCSC4)C3)C2)cc1 ZINC001255290933 1106216683 /nfs/dbraw/zinc/21/66/83/1106216683.db2.gz NVHAKTANMDWMDS-ROUUACIJSA-N 2 1 302.487 3.090 20 0 DGADMP CCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001255314120 1106221060 /nfs/dbraw/zinc/22/10/60/1106221060.db2.gz WIRLCTQRGRVMPO-SFHVURJKSA-N 2 1 317.521 3.492 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348962 1106229537 /nfs/dbraw/zinc/22/95/37/1106229537.db2.gz GDBTZKYEQOVAQZ-TVFCKZIOSA-N 2 1 324.509 3.336 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001255348913 1106229627 /nfs/dbraw/zinc/22/96/27/1106229627.db2.gz KAYVZYHFCUTLCP-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001255348913 1106229629 /nfs/dbraw/zinc/22/96/29/1106229629.db2.gz KAYVZYHFCUTLCP-IXDOHACOSA-N 2 1 322.493 3.105 20 0 DGADMP O=C1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255386646 1106238077 /nfs/dbraw/zinc/23/80/77/1106238077.db2.gz PCWCNJUOLOODMS-KRWDZBQOSA-N 2 1 300.446 3.142 20 0 DGADMP O=C1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255386646 1106238079 /nfs/dbraw/zinc/23/80/79/1106238079.db2.gz PCWCNJUOLOODMS-KRWDZBQOSA-N 2 1 300.446 3.142 20 0 DGADMP CCn1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255387069 1106238118 /nfs/dbraw/zinc/23/81/18/1106238118.db2.gz PVKHJIMDYMMQHE-SFHVURJKSA-N 2 1 312.461 3.047 20 0 DGADMP C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385443 1106238542 /nfs/dbraw/zinc/23/85/42/1106238542.db2.gz HQQJFCLUBXCMIB-APWZRJJASA-N 2 1 310.445 3.182 20 0 DGADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cncnc1 ZINC001255385443 1106238545 /nfs/dbraw/zinc/23/85/45/1106238545.db2.gz HQQJFCLUBXCMIB-APWZRJJASA-N 2 1 310.445 3.182 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389361 1106238983 /nfs/dbraw/zinc/23/89/83/1106238983.db2.gz LTSDKVNDZJWNBA-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255390573 1106239031 /nfs/dbraw/zinc/23/90/31/1106239031.db2.gz IZEHXBSTQGIGMK-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390573 1106239037 /nfs/dbraw/zinc/23/90/37/1106239037.db2.gz IZEHXBSTQGIGMK-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CCN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390573 1106239040 /nfs/dbraw/zinc/23/90/40/1106239040.db2.gz IZEHXBSTQGIGMK-VQTJNVASSA-N 2 1 315.505 3.115 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255390573 1106239044 /nfs/dbraw/zinc/23/90/44/1106239044.db2.gz IZEHXBSTQGIGMK-VQTJNVASSA-N 3 1 315.505 3.115 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255390573 1106239047 /nfs/dbraw/zinc/23/90/47/1106239047.db2.gz IZEHXBSTQGIGMK-VQTJNVASSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390573 1106239049 /nfs/dbraw/zinc/23/90/49/1106239049.db2.gz IZEHXBSTQGIGMK-VQTJNVASSA-N 3 1 315.505 3.115 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390573 1106239054 /nfs/dbraw/zinc/23/90/54/1106239054.db2.gz IZEHXBSTQGIGMK-VQTJNVASSA-N 3 1 315.505 3.115 20 0 DGADMP CC(=O)CC(C)(C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389479 1106239311 /nfs/dbraw/zinc/23/93/11/1106239311.db2.gz NAIKIAPJCCGUQV-GOSISDBHSA-N 2 1 302.462 3.388 20 0 DGADMP CC(=O)CC(C)(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389479 1106239314 /nfs/dbraw/zinc/23/93/14/1106239314.db2.gz NAIKIAPJCCGUQV-GOSISDBHSA-N 2 1 302.462 3.388 20 0 DGADMP C[C@@]1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOC1 ZINC001255394069 1106241686 /nfs/dbraw/zinc/24/16/86/1106241686.db2.gz VZNDBHHNEDFIGE-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP C[N@@H+](CC1CCOCC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399483 1106243264 /nfs/dbraw/zinc/24/32/64/1106243264.db2.gz SOJZYEWNVWHXML-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](CC1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399483 1106243270 /nfs/dbraw/zinc/24/32/70/1106243270.db2.gz SOJZYEWNVWHXML-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](CC1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399483 1106243276 /nfs/dbraw/zinc/24/32/76/1106243276.db2.gz SOJZYEWNVWHXML-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C)C[C@@H]1CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255405000 1106245225 /nfs/dbraw/zinc/24/52/25/1106245225.db2.gz MDQIQXWAHNXBMB-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255405000 1106245228 /nfs/dbraw/zinc/24/52/28/1106245228.db2.gz MDQIQXWAHNXBMB-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255405000 1106245230 /nfs/dbraw/zinc/24/52/30/1106245230.db2.gz MDQIQXWAHNXBMB-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405000 1106245233 /nfs/dbraw/zinc/24/52/33/1106245233.db2.gz MDQIQXWAHNXBMB-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP CN(C)C[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255405000 1106245237 /nfs/dbraw/zinc/24/52/37/1106245237.db2.gz MDQIQXWAHNXBMB-PMACEKPBSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255403289 1106245375 /nfs/dbraw/zinc/24/53/75/1106245375.db2.gz CUUHFOFDPIOZRU-LNLFQRSKSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001255403289 1106245380 /nfs/dbraw/zinc/24/53/80/1106245380.db2.gz CUUHFOFDPIOZRU-LNLFQRSKSA-N 2 1 302.462 3.150 20 0 DGADMP CC[C@@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407506 1106246568 /nfs/dbraw/zinc/24/65/68/1106246568.db2.gz AWSAIMLYPUJLSS-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@@H]1COCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255407506 1106246572 /nfs/dbraw/zinc/24/65/72/1106246572.db2.gz AWSAIMLYPUJLSS-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@@H]1COCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407506 1106246575 /nfs/dbraw/zinc/24/65/75/1106246575.db2.gz AWSAIMLYPUJLSS-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CC[C@@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407506 1106246577 /nfs/dbraw/zinc/24/65/77/1106246577.db2.gz AWSAIMLYPUJLSS-RTBURBONSA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408681 1106247312 /nfs/dbraw/zinc/24/73/12/1106247312.db2.gz PHIUTIRTXPXGHE-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001255408681 1106247315 /nfs/dbraw/zinc/24/73/15/1106247315.db2.gz PHIUTIRTXPXGHE-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408681 1106247317 /nfs/dbraw/zinc/24/73/17/1106247317.db2.gz PHIUTIRTXPXGHE-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC001255408681 1106247320 /nfs/dbraw/zinc/24/73/20/1106247320.db2.gz PHIUTIRTXPXGHE-PMACEKPBSA-N 2 1 316.489 3.398 20 0 DGADMP CC1(C)C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541942 1106266774 /nfs/dbraw/zinc/26/67/74/1106266774.db2.gz WFBUFMTUNMGYFP-XHSDSOJGSA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541942 1106266778 /nfs/dbraw/zinc/26/67/78/1106266778.db2.gz WFBUFMTUNMGYFP-XHSDSOJGSA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541942 1106266782 /nfs/dbraw/zinc/26/67/82/1106266782.db2.gz WFBUFMTUNMGYFP-XHSDSOJGSA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541942 1106266788 /nfs/dbraw/zinc/26/67/88/1106266788.db2.gz WFBUFMTUNMGYFP-XHSDSOJGSA-N 2 1 320.502 3.069 20 0 DGADMP CC1(C)C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001255541940 1106266870 /nfs/dbraw/zinc/26/68/70/1106266870.db2.gz WFBUFMTUNMGYFP-HRCADAONSA-N 2 1 320.502 3.069 20 0 DGADMP COC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001255575667 1106272349 /nfs/dbraw/zinc/27/23/49/1106272349.db2.gz DRHACKDBMKCAOK-QZHFEQFPSA-N 2 1 302.462 3.132 20 0 DGADMP COC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001255575667 1106272352 /nfs/dbraw/zinc/27/23/52/1106272352.db2.gz DRHACKDBMKCAOK-QZHFEQFPSA-N 2 1 302.462 3.132 20 0 DGADMP COC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001255575667 1106272355 /nfs/dbraw/zinc/27/23/55/1106272355.db2.gz DRHACKDBMKCAOK-QZHFEQFPSA-N 2 1 302.462 3.132 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CCC3(CC2)OCCO3)CC1 ZINC001255620244 1106278909 /nfs/dbraw/zinc/27/89/09/1106278909.db2.gz QKQUTBYCPNOGDG-JCNLHEQBSA-N 2 1 322.493 3.187 20 0 DGADMP C[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255634506 1106281266 /nfs/dbraw/zinc/28/12/66/1106281266.db2.gz YGRKMQAGWQYREZ-ZFWWWQNUSA-N 2 1 300.368 3.439 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001255668039 1106290268 /nfs/dbraw/zinc/29/02/68/1106290268.db2.gz CRHZYCIMOVYCKU-XWIXUBGPSA-N 2 1 322.880 3.367 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC001255668039 1106290270 /nfs/dbraw/zinc/29/02/70/1106290270.db2.gz CRHZYCIMOVYCKU-XWIXUBGPSA-N 2 1 322.880 3.367 20 0 DGADMP Cc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001255671247 1106291021 /nfs/dbraw/zinc/29/10/21/1106291021.db2.gz JLWDINSNSAKWPU-ALOPSCKCSA-N 2 1 301.478 3.273 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674262 1106292182 /nfs/dbraw/zinc/29/21/82/1106292182.db2.gz NTXUMWYWFQGCSM-HRBLRVMOSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674262 1106292183 /nfs/dbraw/zinc/29/21/83/1106292183.db2.gz NTXUMWYWFQGCSM-HRBLRVMOSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674262 1106292185 /nfs/dbraw/zinc/29/21/85/1106292185.db2.gz NTXUMWYWFQGCSM-HRBLRVMOSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674262 1106292187 /nfs/dbraw/zinc/29/21/87/1106292187.db2.gz NTXUMWYWFQGCSM-HRBLRVMOSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cncc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001255676211 1106292922 /nfs/dbraw/zinc/29/29/22/1106292922.db2.gz KBTZFXLBRIDUEB-RGPMPMONSA-N 2 1 315.461 3.146 20 0 DGADMP COc1cncc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001255676211 1106292925 /nfs/dbraw/zinc/29/29/25/1106292925.db2.gz KBTZFXLBRIDUEB-RGPMPMONSA-N 2 1 315.461 3.146 20 0 DGADMP CCCCCC[NH+]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255679982 1106293227 /nfs/dbraw/zinc/29/32/27/1106293227.db2.gz CGFFHWZBQHDWEW-DFNIBXOVSA-N 2 1 307.526 3.200 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCc3nccn3CC2)cc1 ZINC001255771720 1106313682 /nfs/dbraw/zinc/31/36/82/1106313682.db2.gz VOLUPEKMBJBXBA-OAHLLOKOSA-N 2 1 301.459 3.230 20 0 DGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001255771720 1106313688 /nfs/dbraw/zinc/31/36/88/1106313688.db2.gz VOLUPEKMBJBXBA-OAHLLOKOSA-N 2 1 301.459 3.230 20 0 DGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCCC1 ZINC001255883307 1106337826 /nfs/dbraw/zinc/33/78/26/1106337826.db2.gz XKYXVYVOQHALPC-QUCCMNQESA-N 2 1 316.489 3.182 20 0 DGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCCC1 ZINC001255883307 1106337827 /nfs/dbraw/zinc/33/78/27/1106337827.db2.gz XKYXVYVOQHALPC-QUCCMNQESA-N 2 1 316.489 3.182 20 0 DGADMP CN1CC[NH+](Cc2cccc(C[NH2+]C3CCCCCC3)c2)CC1 ZINC001255881611 1106337897 /nfs/dbraw/zinc/33/78/97/1106337897.db2.gz PVFYJKOGARHENO-UHFFFAOYSA-N 2 1 315.505 3.246 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC001255945660 1106346440 /nfs/dbraw/zinc/34/64/40/1106346440.db2.gz HRIBUMYZJKOMRZ-LBPRGKRZSA-N 2 1 314.271 3.054 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccc(OC)cn1)C1CC1 ZINC001255954010 1106348869 /nfs/dbraw/zinc/34/88/69/1106348869.db2.gz QVNJQNVJPYQJEZ-KDOFPFPSSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001255953773 1106349265 /nfs/dbraw/zinc/34/92/65/1106349265.db2.gz OLRGQWHNDFMEDY-MJGOQNOKSA-N 2 1 309.542 3.351 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC001255954606 1106349336 /nfs/dbraw/zinc/34/93/36/1106349336.db2.gz FVJLLVALXGUIOP-SFHVURJKSA-N 2 1 318.505 3.399 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001255954755 1106349382 /nfs/dbraw/zinc/34/93/82/1106349382.db2.gz ZLCAINAQYCBBDM-ICSRJNTNSA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001255954755 1106349386 /nfs/dbraw/zinc/34/93/86/1106349386.db2.gz ZLCAINAQYCBBDM-ICSRJNTNSA-N 2 1 317.521 3.279 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001255960185 1106350266 /nfs/dbraw/zinc/35/02/66/1106350266.db2.gz FSKNPEBGYBPFAS-HNNXBMFYSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001255960185 1106350270 /nfs/dbraw/zinc/35/02/70/1106350270.db2.gz FSKNPEBGYBPFAS-HNNXBMFYSA-N 2 1 308.466 3.256 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001255963109 1106351076 /nfs/dbraw/zinc/35/10/76/1106351076.db2.gz CNAVSNJDOOAUIV-AEFFLSMTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001255963109 1106351082 /nfs/dbraw/zinc/35/10/82/1106351082.db2.gz CNAVSNJDOOAUIV-AEFFLSMTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001255969060 1106352413 /nfs/dbraw/zinc/35/24/13/1106352413.db2.gz SQYMBRKGTICZJN-ROUUACIJSA-N 2 1 309.542 3.446 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001255971305 1106352816 /nfs/dbraw/zinc/35/28/16/1106352816.db2.gz IOEUJOUDSNGGGN-KRWDZBQOSA-N 3 1 318.509 3.069 20 0 DGADMP Clc1cccc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256067625 1106363032 /nfs/dbraw/zinc/36/30/32/1106363032.db2.gz VTHCWJLKIXPJJA-UHFFFAOYSA-N 2 1 308.853 3.325 20 0 DGADMP Fc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC001256071900 1106363891 /nfs/dbraw/zinc/36/38/91/1106363891.db2.gz SQAILSFCEJZPEC-UHFFFAOYSA-N 2 1 318.436 3.048 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2CCN(C3CC3)CC2)CC1 ZINC001256071514 1106364169 /nfs/dbraw/zinc/36/41/69/1106364169.db2.gz BIONFTOFFVJYGQ-UAPYVXQJSA-N 2 1 319.537 3.375 20 0 DGADMP [NH3+]CCCC[NH+]1CCN([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256111866 1106370115 /nfs/dbraw/zinc/37/01/15/1106370115.db2.gz FGGINUCFJKNYBK-VQTJNVASSA-N 2 1 315.505 3.069 20 0 DGADMP CC1([NH3+])CC[NH+]([C@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256127026 1106373074 /nfs/dbraw/zinc/37/30/74/1106373074.db2.gz BLNSNAFUWSTXBI-ZDUSSCGKSA-N 2 1 323.278 3.120 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001256167427 1106382532 /nfs/dbraw/zinc/38/25/32/1106382532.db2.gz LCTNWVKWNKZVRO-MRXNPFEDSA-N 2 1 302.462 3.044 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](c2ccncc2C(F)(F)F)C2CC2)CC1 ZINC001256199869 1106389906 /nfs/dbraw/zinc/38/99/06/1106389906.db2.gz XYBJLXWONHVUCZ-OAHLLOKOSA-N 2 1 313.367 3.235 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307159 1106403235 /nfs/dbraw/zinc/40/32/35/1106403235.db2.gz KABAFGKFJDAQDO-RDTXWAMCSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307159 1106403238 /nfs/dbraw/zinc/40/32/38/1106403238.db2.gz KABAFGKFJDAQDO-RDTXWAMCSA-N 2 1 321.896 3.239 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CCC(C)C)C2 ZINC001256364645 1106410308 /nfs/dbraw/zinc/41/03/08/1106410308.db2.gz MHNWYBJMFGVYJK-MISYRCLQSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CCC(C)C)C2 ZINC001256364645 1106410310 /nfs/dbraw/zinc/41/03/10/1106410310.db2.gz MHNWYBJMFGVYJK-MISYRCLQSA-N 2 1 322.537 3.491 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CCC(C)C)C2 ZINC001256364645 1106410314 /nfs/dbraw/zinc/41/03/14/1106410314.db2.gz MHNWYBJMFGVYJK-MISYRCLQSA-N 2 1 322.537 3.491 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001256404712 1106416122 /nfs/dbraw/zinc/41/61/22/1106416122.db2.gz GUHKGPIJJOBUMT-HNNXBMFYSA-N 2 1 313.420 3.102 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256404517 1106416172 /nfs/dbraw/zinc/41/61/72/1106416172.db2.gz FPDSROYPALLBCW-QRFRQXIXSA-N 2 1 324.472 3.180 20 0 DGADMP C[C@@H](Cc1ccccn1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001256419977 1106419025 /nfs/dbraw/zinc/41/90/25/1106419025.db2.gz AEEDKVSQZDDRIK-ICSRJNTNSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001256419977 1106419026 /nfs/dbraw/zinc/41/90/26/1106419026.db2.gz AEEDKVSQZDDRIK-ICSRJNTNSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256419977 1106419027 /nfs/dbraw/zinc/41/90/27/1106419027.db2.gz AEEDKVSQZDDRIK-ICSRJNTNSA-N 2 1 323.484 3.467 20 0 DGADMP C[C@@H]1C[C@H](Nc2cccnc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256528732 1106434251 /nfs/dbraw/zinc/43/42/51/1106434251.db2.gz KJVAWGWDXDFSNN-NVXWUHKLSA-N 2 1 310.445 3.005 20 0 DGADMP COC(CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001256527901 1106434774 /nfs/dbraw/zinc/43/47/74/1106434774.db2.gz BBDWDMASTUMGOD-WMZOPIPTSA-N 2 1 320.477 3.028 20 0 DGADMP COC(CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001256527901 1106434776 /nfs/dbraw/zinc/43/47/76/1106434776.db2.gz BBDWDMASTUMGOD-WMZOPIPTSA-N 2 1 320.477 3.028 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256534378 1106435413 /nfs/dbraw/zinc/43/54/13/1106435413.db2.gz QNLZUWGFNPORHC-NVXWUHKLSA-N 2 1 304.478 3.179 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256534378 1106435415 /nfs/dbraw/zinc/43/54/15/1106435415.db2.gz QNLZUWGFNPORHC-NVXWUHKLSA-N 2 1 304.478 3.179 20 0 DGADMP COC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535732 1106436303 /nfs/dbraw/zinc/43/63/03/1106436303.db2.gz CLGPYGDXWDGLAJ-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP COC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535732 1106436305 /nfs/dbraw/zinc/43/63/05/1106436305.db2.gz CLGPYGDXWDGLAJ-WMZOPIPTSA-N 2 1 302.462 3.150 20 0 DGADMP CC[N@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536945 1106436474 /nfs/dbraw/zinc/43/64/74/1106436474.db2.gz KFACXKKMZUHTLP-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536945 1106436475 /nfs/dbraw/zinc/43/64/75/1106436475.db2.gz KFACXKKMZUHTLP-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256536945 1106436479 /nfs/dbraw/zinc/43/64/79/1106436479.db2.gz KFACXKKMZUHTLP-ICSRJNTNSA-N 2 1 315.505 3.067 20 0 DGADMP COCC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536254 1106437032 /nfs/dbraw/zinc/43/70/32/1106437032.db2.gz GBZBBCQVKXODQE-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP COCC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256536254 1106437034 /nfs/dbraw/zinc/43/70/34/1106437034.db2.gz GBZBBCQVKXODQE-XLIONFOSSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535729 1106437079 /nfs/dbraw/zinc/43/70/79/1106437079.db2.gz AKBWLPUNLDSKDS-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535729 1106437082 /nfs/dbraw/zinc/43/70/82/1106437082.db2.gz AKBWLPUNLDSKDS-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535729 1106437084 /nfs/dbraw/zinc/43/70/84/1106437084.db2.gz AKBWLPUNLDSKDS-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535729 1106437085 /nfs/dbraw/zinc/43/70/85/1106437085.db2.gz AKBWLPUNLDSKDS-HOJAQTOUSA-N 2 1 316.489 3.276 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001256536610 1106437196 /nfs/dbraw/zinc/43/71/96/1106437196.db2.gz KUVYSIQGHMVOPO-BHIYHBOVSA-N 2 1 304.478 3.300 20 0 DGADMP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001256536610 1106437198 /nfs/dbraw/zinc/43/71/98/1106437198.db2.gz KUVYSIQGHMVOPO-BHIYHBOVSA-N 2 1 304.478 3.300 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]23CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256539776 1106437952 /nfs/dbraw/zinc/43/79/52/1106437952.db2.gz WWKVHTRKXVRYJC-LMCOJAPRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256539776 1106437955 /nfs/dbraw/zinc/43/79/55/1106437955.db2.gz WWKVHTRKXVRYJC-LMCOJAPRSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H](N(C)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539751 1106438326 /nfs/dbraw/zinc/43/83/26/1106438326.db2.gz YGKVOFMRHVTYJN-YLJYHZDGSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544413 1106438974 /nfs/dbraw/zinc/43/89/74/1106438974.db2.gz YCRPUDFAPCTOLO-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544413 1106438976 /nfs/dbraw/zinc/43/89/76/1106438976.db2.gz YCRPUDFAPCTOLO-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H](CO)CC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544413 1106438978 /nfs/dbraw/zinc/43/89/78/1106438978.db2.gz YCRPUDFAPCTOLO-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](CO)CC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC001256544413 1106438980 /nfs/dbraw/zinc/43/89/80/1106438980.db2.gz YCRPUDFAPCTOLO-HNBVOPMISA-N 2 1 316.489 3.132 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543882 1106439857 /nfs/dbraw/zinc/43/98/57/1106439857.db2.gz VCFBLIWASVRJMT-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543882 1106439860 /nfs/dbraw/zinc/43/98/60/1106439860.db2.gz VCFBLIWASVRJMT-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543882 1106439861 /nfs/dbraw/zinc/43/98/61/1106439861.db2.gz VCFBLIWASVRJMT-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001256543882 1106439863 /nfs/dbraw/zinc/43/98/63/1106439863.db2.gz VCFBLIWASVRJMT-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)CCN1Cc1ccccc1 ZINC001256552403 1106440538 /nfs/dbraw/zinc/44/05/38/1106440538.db2.gz BZRLTLCLHWEQNA-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC001256552403 1106440541 /nfs/dbraw/zinc/44/05/41/1106440541.db2.gz BZRLTLCLHWEQNA-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC001256552403 1106440544 /nfs/dbraw/zinc/44/05/44/1106440544.db2.gz BZRLTLCLHWEQNA-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552403 1106440545 /nfs/dbraw/zinc/44/05/45/1106440545.db2.gz BZRLTLCLHWEQNA-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)CC[NH+]1Cc1ccccc1 ZINC001256552403 1106440548 /nfs/dbraw/zinc/44/05/48/1106440548.db2.gz BZRLTLCLHWEQNA-NEWSRXKRSA-N 2 1 316.489 3.275 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256554753 1106442619 /nfs/dbraw/zinc/44/26/19/1106442619.db2.gz QHHBAMIVZHMDIF-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256554753 1106442621 /nfs/dbraw/zinc/44/26/21/1106442621.db2.gz QHHBAMIVZHMDIF-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554753 1106442622 /nfs/dbraw/zinc/44/26/22/1106442622.db2.gz QHHBAMIVZHMDIF-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001256554753 1106442624 /nfs/dbraw/zinc/44/26/24/1106442624.db2.gz QHHBAMIVZHMDIF-HOJAQTOUSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557747 1106443893 /nfs/dbraw/zinc/44/38/93/1106443893.db2.gz OARDALONVVQZHI-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC001256557747 1106443894 /nfs/dbraw/zinc/44/38/94/1106443894.db2.gz OARDALONVVQZHI-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557747 1106443896 /nfs/dbraw/zinc/44/38/96/1106443896.db2.gz OARDALONVVQZHI-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCCOC2)CC[NH+]1Cc1ccccc1 ZINC001256557747 1106443897 /nfs/dbraw/zinc/44/38/97/1106443897.db2.gz OARDALONVVQZHI-BHIYHBOVSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CCO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256556367 1106444069 /nfs/dbraw/zinc/44/40/69/1106444069.db2.gz ZENGIDFJNMNBPN-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556367 1106444070 /nfs/dbraw/zinc/44/40/70/1106444070.db2.gz ZENGIDFJNMNBPN-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556367 1106444071 /nfs/dbraw/zinc/44/40/71/1106444071.db2.gz ZENGIDFJNMNBPN-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001256556367 1106444073 /nfs/dbraw/zinc/44/40/73/1106444073.db2.gz ZENGIDFJNMNBPN-HOJAQTOUSA-N 2 1 316.489 3.134 20 0 DGADMP COC(=O)CC[N@@H+](C1CCCC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256571943 1106447403 /nfs/dbraw/zinc/44/74/03/1106447403.db2.gz MWKRKYUQFWTGLF-UHFFFAOYSA-N 2 1 310.482 3.057 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256576967 1106449122 /nfs/dbraw/zinc/44/91/22/1106449122.db2.gz WTCNPVTYWFAPQS-HNNXBMFYSA-N 2 1 324.509 3.303 20 0 DGADMP CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256576967 1106449124 /nfs/dbraw/zinc/44/91/24/1106449124.db2.gz WTCNPVTYWFAPQS-HNNXBMFYSA-N 2 1 324.509 3.303 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256627315 1106456088 /nfs/dbraw/zinc/45/60/88/1106456088.db2.gz DLKHTGDPSIZVFQ-SWDXFRIISA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256627315 1106456092 /nfs/dbraw/zinc/45/60/92/1106456092.db2.gz DLKHTGDPSIZVFQ-SWDXFRIISA-N 2 1 314.473 3.463 20 0 DGADMP Cc1ccccc1O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256627315 1106456098 /nfs/dbraw/zinc/45/60/98/1106456098.db2.gz DLKHTGDPSIZVFQ-SWDXFRIISA-N 2 1 314.473 3.463 20 0 DGADMP C[N@@H+](Cc1cccc(F)c1F)C1CCC([NH+]2CCOCC2)CC1 ZINC001256697166 1106470858 /nfs/dbraw/zinc/47/08/58/1106470858.db2.gz WSOBREVYNMTPNS-UHFFFAOYSA-N 2 1 324.415 3.040 20 0 DGADMP CCc1ccc(C[N@@H+](C)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256695613 1106470942 /nfs/dbraw/zinc/47/09/42/1106470942.db2.gz GOGQTLCFIOBERW-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@H](C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C(C)(C)C ZINC001256720711 1106472922 /nfs/dbraw/zinc/47/29/22/1106472922.db2.gz QCJKNOKUTWSGED-QGZVFWFLSA-N 2 1 317.521 3.206 20 0 DGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256816241 1106488816 /nfs/dbraw/zinc/48/88/16/1106488816.db2.gz HQLZCDMPALSSHD-RBUKOAKNSA-N 2 1 302.462 3.180 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001256821390 1106490986 /nfs/dbraw/zinc/49/09/86/1106490986.db2.gz AFORSIWUDVGFOX-OALUTQOASA-N 2 1 300.446 3.077 20 0 DGADMP C[N@@H+](CCC(=O)c1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861472 1106498707 /nfs/dbraw/zinc/49/87/07/1106498707.db2.gz PTIVEBPDDGRUDE-UHFFFAOYSA-N 2 1 323.440 3.255 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC001256902403 1106506988 /nfs/dbraw/zinc/50/69/88/1106506988.db2.gz UATZIMMHJMKXRJ-GOSISDBHSA-N 2 1 301.478 3.319 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC001256902403 1106506990 /nfs/dbraw/zinc/50/69/90/1106506990.db2.gz UATZIMMHJMKXRJ-GOSISDBHSA-N 2 1 301.478 3.319 20 0 DGADMP C(C1CC1)C1([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCOCC1 ZINC001256904301 1106507395 /nfs/dbraw/zinc/50/73/95/1106507395.db2.gz GCDUKIPPCWAUMR-QGZVFWFLSA-N 2 1 306.494 3.332 20 0 DGADMP C(C1CC1)C1([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCOCC1 ZINC001256904301 1106507400 /nfs/dbraw/zinc/50/74/00/1106507400.db2.gz GCDUKIPPCWAUMR-QGZVFWFLSA-N 2 1 306.494 3.332 20 0 DGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256908800 1106508995 /nfs/dbraw/zinc/50/89/95/1106508995.db2.gz QKKKIVIVENNJBO-SJORKVTESA-N 2 1 307.526 3.246 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908800 1106508998 /nfs/dbraw/zinc/50/89/98/1106508998.db2.gz QKKKIVIVENNJBO-SJORKVTESA-N 2 1 307.526 3.246 20 0 DGADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908800 1106509002 /nfs/dbraw/zinc/50/90/02/1106509002.db2.gz QKKKIVIVENNJBO-SJORKVTESA-N 2 1 307.526 3.246 20 0 DGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCCN(C3CCCC3)C2)C1 ZINC001256909964 1106509292 /nfs/dbraw/zinc/50/92/92/1106509292.db2.gz VLYIHHPDOHREBX-HKUYNNGSSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@@H]1CCCCN([C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256909964 1106509294 /nfs/dbraw/zinc/50/92/94/1106509294.db2.gz VLYIHHPDOHREBX-HKUYNNGSSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@@H]1CCCCN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256909964 1106509296 /nfs/dbraw/zinc/50/92/96/1106509296.db2.gz VLYIHHPDOHREBX-HKUYNNGSSA-N 2 1 307.526 3.234 20 0 DGADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256910050 1106509400 /nfs/dbraw/zinc/50/94/00/1106509400.db2.gz WSVDNUSBEPNJLG-ZWKOTPCHSA-N 2 1 302.437 3.290 20 0 DGADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256910050 1106509403 /nfs/dbraw/zinc/50/94/03/1106509403.db2.gz WSVDNUSBEPNJLG-ZWKOTPCHSA-N 2 1 302.437 3.290 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001256908140 1106509480 /nfs/dbraw/zinc/50/94/80/1106509480.db2.gz LPZPFYLNMDIPEI-ZWKOTPCHSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC[C@H](N[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001256908140 1106509484 /nfs/dbraw/zinc/50/94/84/1106509484.db2.gz LPZPFYLNMDIPEI-ZWKOTPCHSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC[C@H](N[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001256908140 1106509487 /nfs/dbraw/zinc/50/94/87/1106509487.db2.gz LPZPFYLNMDIPEI-ZWKOTPCHSA-N 2 1 319.537 3.390 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908790 1106509522 /nfs/dbraw/zinc/50/95/22/1106509522.db2.gz QIMGBPGPSGSVQX-SJORKVTESA-N 3 1 309.542 3.384 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)CC(C)(C)CC[NH3+] ZINC001256908790 1106509525 /nfs/dbraw/zinc/50/95/25/1106509525.db2.gz QIMGBPGPSGSVQX-SJORKVTESA-N 3 1 309.542 3.384 20 0 DGADMP C[NH+]1CCC(CCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256908379 1106509532 /nfs/dbraw/zinc/50/95/32/1106509532.db2.gz NAVODNWOBMDEHA-SFHVURJKSA-N 3 1 307.526 3.105 20 0 DGADMP C[NH+]1CCC(CCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256908379 1106509537 /nfs/dbraw/zinc/50/95/37/1106509537.db2.gz NAVODNWOBMDEHA-SFHVURJKSA-N 3 1 307.526 3.105 20 0 DGADMP C1CCC([N@H+]2CCC[C@H](N3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC001256911116 1106510374 /nfs/dbraw/zinc/51/03/74/1106510374.db2.gz JODUSTPXKRRAER-FQEVSTJZSA-N 2 1 319.537 3.344 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256910296 1106510753 /nfs/dbraw/zinc/51/07/53/1106510753.db2.gz YUKRSYLGAGGAFK-IBGZPJMESA-N 3 1 321.553 3.495 20 0 DGADMP CCCC[NH+]1CCC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256910296 1106510756 /nfs/dbraw/zinc/51/07/56/1106510756.db2.gz YUKRSYLGAGGAFK-IBGZPJMESA-N 3 1 321.553 3.495 20 0 DGADMP C(C1CCCC1)[NH+]1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256916972 1106511141 /nfs/dbraw/zinc/51/11/41/1106511141.db2.gz IPLGMQNDAXXHRZ-FQEVSTJZSA-N 2 1 319.537 3.201 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C[C@H](C)O1 ZINC001257081387 1106535546 /nfs/dbraw/zinc/53/55/46/1106535546.db2.gz RHKHOEVUIXMZLV-XOIINTDNSA-N 2 1 306.425 3.032 20 0 DGADMP C[C@@H]1CC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C[C@@H](C)O1 ZINC001257081450 1106535591 /nfs/dbraw/zinc/53/55/91/1106535591.db2.gz RTNIJCHSCUKTFZ-ZIAGYGMSSA-N 2 1 306.425 3.032 20 0 DGADMP CC(C)N1CCC([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001257207845 1106550970 /nfs/dbraw/zinc/55/09/70/1106550970.db2.gz NZXXZMAKSLIIMT-UHFFFAOYSA-N 2 1 321.553 3.494 20 0 DGADMP CCC[C@H](CC)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001257250275 1106555991 /nfs/dbraw/zinc/55/59/91/1106555991.db2.gz XSEUSOFWYZBESB-FQEVSTJZSA-N 2 1 317.521 3.492 20 0 DGADMP CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001257319364 1106566190 /nfs/dbraw/zinc/56/61/90/1106566190.db2.gz NYUAQICITOXWID-RDGPPVDQSA-N 2 1 318.509 3.245 20 0 DGADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001257319364 1106566193 /nfs/dbraw/zinc/56/61/93/1106566193.db2.gz NYUAQICITOXWID-RDGPPVDQSA-N 2 1 318.509 3.245 20 0 DGADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001257319364 1106566197 /nfs/dbraw/zinc/56/61/97/1106566197.db2.gz NYUAQICITOXWID-RDGPPVDQSA-N 2 1 318.509 3.245 20 0 DGADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001257353064 1106572503 /nfs/dbraw/zinc/57/25/03/1106572503.db2.gz LLARUHPMSFDIJX-UHFFFAOYSA-N 2 1 314.473 3.296 20 0 DGADMP CCCCCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001257365116 1106574485 /nfs/dbraw/zinc/57/44/85/1106574485.db2.gz HSTPZHCFNNJVPM-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001257365116 1106574490 /nfs/dbraw/zinc/57/44/90/1106574490.db2.gz HSTPZHCFNNJVPM-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC1CCC([N@@H+](C)CCN2CC[NH+](C)CC2)CC1 ZINC001257375967 1106575955 /nfs/dbraw/zinc/57/59/55/1106575955.db2.gz WWYGEDRLOCCIDU-UHFFFAOYSA-N 2 1 309.542 3.305 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@H]2CCC[C@@H]21 ZINC001257437057 1106588262 /nfs/dbraw/zinc/58/82/62/1106588262.db2.gz GXAZEOQSKCAVGO-QYZOEREBSA-N 2 1 302.462 3.308 20 0 DGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@H]4CCCSC4)C3)C2)cc1 ZINC001257675812 1106618634 /nfs/dbraw/zinc/61/86/34/1106618634.db2.gz FRTLEOXBHBGSPV-OALUTQOASA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@H]4CCCSC4)C3)C2)cc1 ZINC001257675812 1106618637 /nfs/dbraw/zinc/61/86/37/1106618637.db2.gz FRTLEOXBHBGSPV-OALUTQOASA-N 2 1 316.514 3.480 20 0 DGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@H]4CCCSC4)C3)C2)cc1 ZINC001257675812 1106618639 /nfs/dbraw/zinc/61/86/39/1106618639.db2.gz FRTLEOXBHBGSPV-OALUTQOASA-N 2 1 316.514 3.480 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(OCc3ccccc3)CC2)C1 ZINC001257821084 1106631414 /nfs/dbraw/zinc/63/14/14/1106631414.db2.gz BGUXIOOEEQRVQP-HDYDNRTBSA-N 2 1 316.489 3.446 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(OCc3ccccc3)CC2)C1 ZINC001257821085 1106631623 /nfs/dbraw/zinc/63/16/23/1106631623.db2.gz BGUXIOOEEQRVQP-XEVCZEQESA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)OC1CCC([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001257874711 1106638154 /nfs/dbraw/zinc/63/81/54/1106638154.db2.gz AGHGVCQPNSELHJ-UHFFFAOYSA-N 2 1 317.477 3.068 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](CCO)c2cccc(Cl)c2)CC1 ZINC001258003124 1106655998 /nfs/dbraw/zinc/65/59/98/1106655998.db2.gz BIOVTDDECFJKJW-GOSISDBHSA-N 2 1 324.896 3.474 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001258001207 1106656121 /nfs/dbraw/zinc/65/61/21/1106656121.db2.gz HARHSVKBQZXUAL-OAHLLOKOSA-N 2 1 318.461 3.244 20 0 DGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258010589 1106658097 /nfs/dbraw/zinc/65/80/97/1106658097.db2.gz CYJIJEXCBDMIFF-LJQANCHMSA-N 2 1 324.509 3.162 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+](C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258018357 1106659022 /nfs/dbraw/zinc/65/90/22/1106659022.db2.gz LVQKFCBWYFGKSD-UHFFFAOYSA-N 2 1 324.509 3.162 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC001258019550 1106659425 /nfs/dbraw/zinc/65/94/25/1106659425.db2.gz BVGYWENNIXIGPP-GOSISDBHSA-N 2 1 302.462 3.042 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001258024787 1106660946 /nfs/dbraw/zinc/66/09/46/1106660946.db2.gz HBHGESRAYBCCGH-NJZDOBRDSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001258024787 1106660949 /nfs/dbraw/zinc/66/09/49/1106660949.db2.gz HBHGESRAYBCCGH-NJZDOBRDSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001258029882 1106661624 /nfs/dbraw/zinc/66/16/24/1106661624.db2.gz NBXRUKHLMCRGNG-CPFNUKBASA-N 2 1 324.509 3.207 20 0 DGADMP CCOC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001258029880 1106661712 /nfs/dbraw/zinc/66/17/12/1106661712.db2.gz NBXRUKHLMCRGNG-AQEOSJORSA-N 2 1 324.509 3.207 20 0 DGADMP Oc1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258131239 1106679303 /nfs/dbraw/zinc/67/93/03/1106679303.db2.gz HYXCSPZGUKYEKE-UHFFFAOYSA-N 2 1 324.468 3.231 20 0 DGADMP C[N@H+](CCc1ccccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141332 1106680171 /nfs/dbraw/zinc/68/01/71/1106680171.db2.gz ZAHODHGDOFCQOG-UHFFFAOYSA-N 2 1 323.484 3.263 20 0 DGADMP C[N@@H+](CCc1ccccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141332 1106680173 /nfs/dbraw/zinc/68/01/73/1106680173.db2.gz ZAHODHGDOFCQOG-UHFFFAOYSA-N 2 1 323.484 3.263 20 0 DGADMP CO[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258147213 1106680928 /nfs/dbraw/zinc/68/09/28/1106680928.db2.gz JREJEXWDQNVDRK-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP CO[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258147213 1106680930 /nfs/dbraw/zinc/68/09/30/1106680930.db2.gz JREJEXWDQNVDRK-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001258170385 1106685992 /nfs/dbraw/zinc/68/59/92/1106685992.db2.gz KCHOPSLJYNIPMD-UOIKSKOESA-N 2 1 316.493 3.477 20 0 DGADMP CSC(C)(C)C[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258333583 1106717937 /nfs/dbraw/zinc/71/79/37/1106717937.db2.gz NSRAKWXGZBFSER-CQSZACIVSA-N 3 1 317.587 3.382 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258484230 1106773851 /nfs/dbraw/zinc/77/38/51/1106773851.db2.gz XYNPVLYIWRTJJL-BFYDXBDKSA-N 2 1 312.498 3.479 20 0 DGADMP CCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258496628 1106780600 /nfs/dbraw/zinc/78/06/00/1106780600.db2.gz UHOHGBZMRJMXHP-DLBZAZTESA-N 2 1 310.482 3.059 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541276 1106812454 /nfs/dbraw/zinc/81/24/54/1106812454.db2.gz FKFADOHMXXSVFK-WMLDXEAASA-N 2 1 321.896 3.239 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541276 1106812469 /nfs/dbraw/zinc/81/24/69/1106812469.db2.gz FKFADOHMXXSVFK-WMLDXEAASA-N 2 1 321.896 3.239 20 0 DGADMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC001258595384 1106834861 /nfs/dbraw/zinc/83/48/61/1106834861.db2.gz UVRZBGGKXDDMTC-IBGZPJMESA-N 2 1 315.505 3.102 20 0 DGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258603665 1106843025 /nfs/dbraw/zinc/84/30/25/1106843025.db2.gz MWGBIDAKYDJOMG-QWFCFKBJSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258603665 1106843039 /nfs/dbraw/zinc/84/30/39/1106843039.db2.gz MWGBIDAKYDJOMG-QWFCFKBJSA-N 2 1 320.521 3.245 20 0 DGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258603665 1106843056 /nfs/dbraw/zinc/84/30/56/1106843056.db2.gz MWGBIDAKYDJOMG-QWFCFKBJSA-N 2 1 320.521 3.245 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258619740 1106859829 /nfs/dbraw/zinc/85/98/29/1106859829.db2.gz WOQJNFYTZYYBQN-OAHLLOKOSA-N 2 1 313.420 3.102 20 0 DGADMP CCC[C@H](Cc1ccccc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258653771 1106883166 /nfs/dbraw/zinc/88/31/66/1106883166.db2.gz XDYWGUDZKSTEBR-GUDVDZBRSA-N 2 1 316.489 3.369 20 0 DGADMP CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258653566 1106883288 /nfs/dbraw/zinc/88/32/88/1106883288.db2.gz UUSKTMKCHMSEBJ-LJQANCHMSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258742034 1106944267 /nfs/dbraw/zinc/94/42/67/1106944267.db2.gz RRVZTNZFWGMUDZ-JQFCIGGWSA-N 2 1 322.880 3.242 20 0 DGADMP CCCN1CCC([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001258769926 1106963668 /nfs/dbraw/zinc/96/36/68/1106963668.db2.gz PJJAWZPCONKTQT-UHFFFAOYSA-N 2 1 309.542 3.209 20 0 DGADMP CCCN1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258770281 1106964938 /nfs/dbraw/zinc/96/49/38/1106964938.db2.gz IOOXFBAXQWYNPK-QAQDUYKDSA-N 2 1 309.542 3.479 20 0 DGADMP CCC[NH+]1CCC([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258770281 1106964953 /nfs/dbraw/zinc/96/49/53/1106964953.db2.gz IOOXFBAXQWYNPK-QAQDUYKDSA-N 3 1 309.542 3.479 20 0 DGADMP CCC[NH+]1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258770281 1106964966 /nfs/dbraw/zinc/96/49/66/1106964966.db2.gz IOOXFBAXQWYNPK-QAQDUYKDSA-N 3 1 309.542 3.479 20 0 DGADMP COc1ccccc1C[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001258886333 1107038851 /nfs/dbraw/zinc/03/88/51/1107038851.db2.gz JCNUNCRRVWDRQM-MRXNPFEDSA-N 2 1 302.462 3.186 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001258907716 1107054761 /nfs/dbraw/zinc/05/47/61/1107054761.db2.gz MXHUWSFHAPNACP-HUUCEWRRSA-N 2 1 324.431 3.276 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001258907101 1107055833 /nfs/dbraw/zinc/05/58/33/1107055833.db2.gz FPLQEMCQXXXDEB-MRXNPFEDSA-N 2 1 320.477 3.400 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC001321069734 1107238106 /nfs/dbraw/zinc/23/81/06/1107238106.db2.gz GELCVKVFPCRVML-SFHVURJKSA-N 2 1 324.472 3.005 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000489987101 1107354371 /nfs/dbraw/zinc/35/43/71/1107354371.db2.gz GMSBWMKBUUCFTG-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000489987101 1107354384 /nfs/dbraw/zinc/35/43/84/1107354384.db2.gz GMSBWMKBUUCFTG-IBGZPJMESA-N 2 1 302.462 3.441 20 0 DGADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC001261365504 1107418570 /nfs/dbraw/zinc/41/85/70/1107418570.db2.gz PTYYHVUUAWUSLW-QGZVFWFLSA-N 2 1 321.440 3.090 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC001261365504 1107418575 /nfs/dbraw/zinc/41/85/75/1107418575.db2.gz PTYYHVUUAWUSLW-QGZVFWFLSA-N 2 1 321.440 3.090 20 0 DGADMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001321894991 1107458038 /nfs/dbraw/zinc/45/80/38/1107458038.db2.gz LIEGJESIFSUDKU-UHFFFAOYSA-N 2 1 317.521 3.235 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001261890992 1107556956 /nfs/dbraw/zinc/55/69/56/1107556956.db2.gz VXMKNFFTOUAACG-NVXWUHKLSA-N 2 1 320.502 3.175 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001261890991 1107557189 /nfs/dbraw/zinc/55/71/89/1107557189.db2.gz VXMKNFFTOUAACG-DOTOQJQBSA-N 2 1 320.502 3.175 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001261890993 1107557232 /nfs/dbraw/zinc/55/72/32/1107557232.db2.gz VXMKNFFTOUAACG-RDJZCZTQSA-N 2 1 320.502 3.175 20 0 DGADMP Cc1cc(C)cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001262113278 1107624988 /nfs/dbraw/zinc/62/49/88/1107624988.db2.gz IDXCMULVMUCRHY-UHFFFAOYSA-N 2 1 302.462 3.036 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC001318228419 1107908285 /nfs/dbraw/zinc/90/82/85/1107908285.db2.gz MOYUNUZGXMYZLZ-OAHLLOKOSA-N 2 1 317.477 3.388 20 0 DGADMP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CCCCCC1 ZINC001323722029 1108068093 /nfs/dbraw/zinc/06/80/93/1108068093.db2.gz LSHOKRSSGTVSDD-IAGOWNOFSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319200761 1108361440 /nfs/dbraw/zinc/36/14/40/1108361440.db2.gz HVSVSHUWQDCBMK-RYQLBKOJSA-N 2 1 317.477 3.175 20 0 DGADMP CN(C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388256546 1108546753 /nfs/dbraw/zinc/54/67/53/1108546753.db2.gz AKGXSAPTLIGHOK-NHCUHLMSSA-N 2 1 323.484 3.283 20 0 DGADMP CC(=O)c1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC001325196722 1108591892 /nfs/dbraw/zinc/59/18/92/1108591892.db2.gz FYHFENDVXHQTEX-UHFFFAOYSA-N 2 1 300.446 3.197 20 0 DGADMP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC001319694300 1108596241 /nfs/dbraw/zinc/59/62/41/1108596241.db2.gz KDONLXWFGJAHPT-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC001319694300 1108596250 /nfs/dbraw/zinc/59/62/50/1108596250.db2.gz KDONLXWFGJAHPT-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC001319694300 1108596260 /nfs/dbraw/zinc/59/62/60/1108596260.db2.gz KDONLXWFGJAHPT-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+](Cc1ccccc1N1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001319694300 1108596269 /nfs/dbraw/zinc/59/62/69/1108596269.db2.gz KDONLXWFGJAHPT-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001325341779 1108626725 /nfs/dbraw/zinc/62/67/25/1108626725.db2.gz ZIPNXCRINJBAAF-BACDZXNISA-N 2 1 324.509 3.349 20 0 DGADMP CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266002723 1109060825 /nfs/dbraw/zinc/06/08/25/1109060825.db2.gz RAKALKWZRWCGSJ-WMZOPIPTSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266237740 1109136457 /nfs/dbraw/zinc/13/64/57/1109136457.db2.gz CEMVATIKWXJVCE-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266237740 1109136459 /nfs/dbraw/zinc/13/64/59/1109136459.db2.gz CEMVATIKWXJVCE-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266237740 1109136460 /nfs/dbraw/zinc/13/64/60/1109136460.db2.gz CEMVATIKWXJVCE-QZTJIDSGSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001305973991 1111213918 /nfs/dbraw/zinc/21/39/18/1111213918.db2.gz UXSQSVFDZAPSOB-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582090 1111316058 /nfs/dbraw/zinc/31/60/58/1111316058.db2.gz FOQRKTQXTIJKNN-PMACEKPBSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC001307582090 1111316061 /nfs/dbraw/zinc/31/60/61/1111316061.db2.gz FOQRKTQXTIJKNN-PMACEKPBSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC001307582090 1111316065 /nfs/dbraw/zinc/31/60/65/1111316065.db2.gz FOQRKTQXTIJKNN-PMACEKPBSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001307582090 1111316066 /nfs/dbraw/zinc/31/60/66/1111316066.db2.gz FOQRKTQXTIJKNN-PMACEKPBSA-N 2 1 318.505 3.237 20 0 DGADMP CC(C)Cc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001307870767 1111349617 /nfs/dbraw/zinc/34/96/17/1111349617.db2.gz YYEHUYXMJSQZPN-UHFFFAOYSA-N 2 1 316.489 3.182 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C[C@@]2(C)C1 ZINC001307977810 1111361963 /nfs/dbraw/zinc/36/19/63/1111361963.db2.gz GLGUODMMPROXFE-WNRNVDISSA-N 2 1 320.427 3.309 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1Cl ZINC001308090273 1111376608 /nfs/dbraw/zinc/37/66/08/1111376608.db2.gz RYHYVZQSFKANRP-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1Cl ZINC001308090273 1111376611 /nfs/dbraw/zinc/37/66/11/1111376611.db2.gz RYHYVZQSFKANRP-CQSZACIVSA-N 2 1 301.821 3.446 20 0 DGADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001308156895 1111386175 /nfs/dbraw/zinc/38/61/75/1111386175.db2.gz RQSXYFAMJJTFRE-RBUKOAKNSA-N 2 1 302.462 3.282 20 0 DGADMP Cc1cnc(CC[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c(C)c1 ZINC001308169716 1111389243 /nfs/dbraw/zinc/38/92/43/1111389243.db2.gz FMKIYNIDTBQPNI-BGYRXZFFSA-N 2 1 313.489 3.049 20 0 DGADMP Cc1cnc(CC[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(C)c1 ZINC001308169716 1111389247 /nfs/dbraw/zinc/38/92/47/1111389247.db2.gz FMKIYNIDTBQPNI-BGYRXZFFSA-N 2 1 313.489 3.049 20 0 DGADMP Cc1cnc(CC[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(C)c1 ZINC001308169716 1111389250 /nfs/dbraw/zinc/38/92/50/1111389250.db2.gz FMKIYNIDTBQPNI-BGYRXZFFSA-N 2 1 313.489 3.049 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(C)n1 ZINC001308181137 1111391945 /nfs/dbraw/zinc/39/19/45/1111391945.db2.gz UDTRKFLQVGBZRH-UHFFFAOYSA-N 2 1 319.493 3.451 20 0 DGADMP COc1cc(C)c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC001308181137 1111391948 /nfs/dbraw/zinc/39/19/48/1111391948.db2.gz UDTRKFLQVGBZRH-UHFFFAOYSA-N 2 1 319.493 3.451 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC001308195529 1111395348 /nfs/dbraw/zinc/39/53/48/1111395348.db2.gz JYRMGDRFYGRAOX-IBGZPJMESA-N 2 1 320.477 3.064 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC001308195529 1111395351 /nfs/dbraw/zinc/39/53/51/1111395351.db2.gz JYRMGDRFYGRAOX-IBGZPJMESA-N 2 1 320.477 3.064 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2C)cc1 ZINC001308201032 1111396544 /nfs/dbraw/zinc/39/65/44/1111396544.db2.gz WXFUJPJZIPXVIA-MRXNPFEDSA-N 2 1 312.461 3.084 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC001308257591 1111406227 /nfs/dbraw/zinc/40/62/27/1111406227.db2.gz WLCBMRQFUXCMAU-CEXWTWQISA-N 2 1 302.462 3.023 20 0 DGADMP CCC[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC001308257591 1111406229 /nfs/dbraw/zinc/40/62/29/1111406229.db2.gz WLCBMRQFUXCMAU-CEXWTWQISA-N 2 1 302.462 3.023 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001308432381 1111428056 /nfs/dbraw/zinc/42/80/56/1111428056.db2.gz IBWOEMVLLNORGO-HDICACEKSA-N 2 1 304.478 3.302 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1 ZINC001308454268 1111430572 /nfs/dbraw/zinc/43/05/72/1111430572.db2.gz YRKBJQGGJWVZKM-LJQANCHMSA-N 2 1 300.446 3.022 20 0 DGADMP COc1ccc(C[C@@H](C)C[NH2+]C(C)(C)C[NH+]2CCCC2)cc1F ZINC001308826320 1111480180 /nfs/dbraw/zinc/48/01/80/1111480180.db2.gz UUQUIPDBBTVXGB-OAHLLOKOSA-N 2 1 322.468 3.477 20 0 DGADMP CC[NH+]1CCC(CN2CCC(CC)([NH+]3CCCCC3)CC2)CC1 ZINC001308919485 1111493642 /nfs/dbraw/zinc/49/36/42/1111493642.db2.gz SCNPNVBYVXBBHN-UHFFFAOYSA-N 2 1 321.553 3.449 20 0 DGADMP CC[N@H+](CC=C(C)C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001316903170 1111726722 /nfs/dbraw/zinc/72/67/22/1111726722.db2.gz HBQXNEARJYBNJU-SFHVURJKSA-N 2 1 323.525 3.045 20 0 DGADMP CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001316782378 1111737392 /nfs/dbraw/zinc/73/73/92/1111737392.db2.gz BNDGAYZYTZJRMM-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](CC[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000278459083 214167687 /nfs/dbraw/zinc/16/76/87/214167687.db2.gz ZOKUEFRKSMWDAP-MSOLQXFVSA-N 2 1 304.478 3.271 20 0 DGADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000305155390 230968449 /nfs/dbraw/zinc/96/84/49/230968449.db2.gz PYSKXSFTICGLHF-HXUWFJFHSA-N 2 1 316.489 3.497 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(F)cc3)C2)CCCO1 ZINC000278658055 214306881 /nfs/dbraw/zinc/30/68/81/214306881.db2.gz SWMWYNUVKLRFGV-DMKPSLHHSA-N 2 1 320.452 3.162 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(F)cc3)C2)CCCO1 ZINC000278658055 214306884 /nfs/dbraw/zinc/30/68/84/214306884.db2.gz SWMWYNUVKLRFGV-DMKPSLHHSA-N 2 1 320.452 3.162 20 0 DGADMP C[N@H+](CCCCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079322577 185165235 /nfs/dbraw/zinc/16/52/35/185165235.db2.gz UOXQSRYXXAKTDB-UHFFFAOYSA-N 2 1 304.478 3.136 20 0 DGADMP C[N@@H+](CCCCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079322577 185165236 /nfs/dbraw/zinc/16/52/36/185165236.db2.gz UOXQSRYXXAKTDB-UHFFFAOYSA-N 2 1 304.478 3.136 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000272851759 210247295 /nfs/dbraw/zinc/24/72/95/210247295.db2.gz OTIRLLNNAOCEHY-GFCCVEGCSA-N 2 1 319.836 3.206 20 0 DGADMP Cc1ncccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309931324 231108368 /nfs/dbraw/zinc/10/83/68/231108368.db2.gz ZFXZAEODCOLTDJ-FQEVSTJZSA-N 2 1 309.457 3.392 20 0 DGADMP CCc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000302036530 529556596 /nfs/dbraw/zinc/55/65/96/529556596.db2.gz FUNCDBOLAZOKRU-INIZCTEOSA-N 2 1 302.397 3.201 20 0 DGADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423209034 290655728 /nfs/dbraw/zinc/65/57/28/290655728.db2.gz ZMUJQKARZMKPGF-LBPRGKRZSA-N 2 1 303.233 3.406 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000432415491 529597496 /nfs/dbraw/zinc/59/74/96/529597496.db2.gz CSCTZESVZGHKGP-QAPCUYQASA-N 2 1 308.441 3.367 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2)C1 ZINC000090586830 185305178 /nfs/dbraw/zinc/30/51/78/185305178.db2.gz WLRPCXLYALRIAD-IRXDYDNUSA-N 2 1 306.498 3.483 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2)C1 ZINC000090586830 185305179 /nfs/dbraw/zinc/30/51/79/185305179.db2.gz WLRPCXLYALRIAD-IRXDYDNUSA-N 2 1 306.498 3.483 20 0 DGADMP COCCCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820900 185343992 /nfs/dbraw/zinc/34/39/92/185343992.db2.gz NESWKHKNRRSPIM-UHFFFAOYSA-N 2 1 319.493 3.437 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988329 529802015 /nfs/dbraw/zinc/80/20/15/529802015.db2.gz BAIPYVGPDXDSRT-HXUWFJFHSA-N 2 1 316.489 3.391 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988329 529802016 /nfs/dbraw/zinc/80/20/16/529802016.db2.gz BAIPYVGPDXDSRT-HXUWFJFHSA-N 2 1 316.489 3.391 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988329 529802017 /nfs/dbraw/zinc/80/20/17/529802017.db2.gz BAIPYVGPDXDSRT-HXUWFJFHSA-N 2 1 316.489 3.391 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988329 529802018 /nfs/dbraw/zinc/80/20/18/529802018.db2.gz BAIPYVGPDXDSRT-HXUWFJFHSA-N 2 1 316.489 3.391 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988328 529811412 /nfs/dbraw/zinc/81/14/12/529811412.db2.gz BAIPYVGPDXDSRT-FQEVSTJZSA-N 2 1 316.489 3.391 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988328 529811413 /nfs/dbraw/zinc/81/14/13/529811413.db2.gz BAIPYVGPDXDSRT-FQEVSTJZSA-N 2 1 316.489 3.391 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988328 529811414 /nfs/dbraw/zinc/81/14/14/529811414.db2.gz BAIPYVGPDXDSRT-FQEVSTJZSA-N 2 1 316.489 3.391 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000428988328 529811415 /nfs/dbraw/zinc/81/14/15/529811415.db2.gz BAIPYVGPDXDSRT-FQEVSTJZSA-N 2 1 316.489 3.391 20 0 DGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442786253 529895657 /nfs/dbraw/zinc/89/56/57/529895657.db2.gz ZAXXODCXRDZCBM-XYPWUTKMSA-N 2 1 308.853 3.324 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CC[NH3+])C1 ZINC000442923127 529999151 /nfs/dbraw/zinc/99/91/51/529999151.db2.gz PTLWKJYOVJCPTR-LJQANCHMSA-N 3 1 317.521 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442923127 529999152 /nfs/dbraw/zinc/99/91/52/529999152.db2.gz PTLWKJYOVJCPTR-LJQANCHMSA-N 3 1 317.521 3.205 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442923127 529999153 /nfs/dbraw/zinc/99/91/53/529999153.db2.gz PTLWKJYOVJCPTR-LJQANCHMSA-N 3 1 317.521 3.205 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442923127 529999154 /nfs/dbraw/zinc/99/91/54/529999154.db2.gz PTLWKJYOVJCPTR-LJQANCHMSA-N 2 1 317.521 3.205 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442923127 529999155 /nfs/dbraw/zinc/99/91/55/529999155.db2.gz PTLWKJYOVJCPTR-LJQANCHMSA-N 2 1 317.521 3.205 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850571 530059752 /nfs/dbraw/zinc/05/97/52/530059752.db2.gz BTOUOSKNAPQFFQ-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850571 530059753 /nfs/dbraw/zinc/05/97/53/530059753.db2.gz BTOUOSKNAPQFFQ-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850571 530059754 /nfs/dbraw/zinc/05/97/54/530059754.db2.gz BTOUOSKNAPQFFQ-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000292850571 530059755 /nfs/dbraw/zinc/05/97/55/530059755.db2.gz BTOUOSKNAPQFFQ-QGZVFWFLSA-N 2 1 310.388 3.206 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000165237191 282381821 /nfs/dbraw/zinc/38/18/21/282381821.db2.gz YSTLONQEWWKBOG-GOSISDBHSA-N 2 1 319.493 3.278 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000165237191 282381822 /nfs/dbraw/zinc/38/18/22/282381822.db2.gz YSTLONQEWWKBOG-GOSISDBHSA-N 2 1 319.493 3.278 20 0 DGADMP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000130072281 432014610 /nfs/dbraw/zinc/01/46/10/432014610.db2.gz UROKYRNTJVBMJC-KRWDZBQOSA-N 2 1 307.401 3.245 20 0 DGADMP Brc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868700 432023145 /nfs/dbraw/zinc/02/31/45/432023145.db2.gz GVZATCUNMIPJKX-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868700 432023148 /nfs/dbraw/zinc/02/31/48/432023148.db2.gz GVZATCUNMIPJKX-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP Brc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868700 432023150 /nfs/dbraw/zinc/02/31/50/432023150.db2.gz GVZATCUNMIPJKX-LSDHHAIUSA-N 2 1 309.251 3.166 20 0 DGADMP c1ccc(CCOCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150751053 186063245 /nfs/dbraw/zinc/06/32/45/186063245.db2.gz FPVMYXBSHQSRCY-HXUWFJFHSA-N 2 1 316.489 3.054 20 0 DGADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287131969 219333755 /nfs/dbraw/zinc/33/37/55/219333755.db2.gz ADZVCMVPUGTPGF-XLIONFOSSA-N 2 1 315.505 3.112 20 0 DGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000287131969 219333758 /nfs/dbraw/zinc/33/37/58/219333758.db2.gz ADZVCMVPUGTPGF-XLIONFOSSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000152458883 186075272 /nfs/dbraw/zinc/07/52/72/186075272.db2.gz DJFHKBRLZYAWLK-SJLPKXTDSA-N 2 1 324.472 3.066 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000164363091 186157681 /nfs/dbraw/zinc/15/76/81/186157681.db2.gz XHJTUPCGILOLKN-HRCADAONSA-N 2 1 321.896 3.381 20 0 DGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000164363091 186157683 /nfs/dbraw/zinc/15/76/83/186157683.db2.gz XHJTUPCGILOLKN-HRCADAONSA-N 2 1 321.896 3.381 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000188013882 186244031 /nfs/dbraw/zinc/24/40/31/186244031.db2.gz WEWBVODVEWGXES-BJZITVGISA-N 2 1 313.445 3.382 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000268746131 186376015 /nfs/dbraw/zinc/37/60/15/186376015.db2.gz VCPIJPRACVNZGF-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268746131 186376016 /nfs/dbraw/zinc/37/60/16/186376016.db2.gz VCPIJPRACVNZGF-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268746131 186376018 /nfs/dbraw/zinc/37/60/18/186376018.db2.gz VCPIJPRACVNZGF-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000172166654 198051099 /nfs/dbraw/zinc/05/10/99/198051099.db2.gz FGVGKBDNORKEJJ-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cccnc2)C1 ZINC000172166654 198051101 /nfs/dbraw/zinc/05/11/01/198051101.db2.gz FGVGKBDNORKEJJ-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172166654 198051103 /nfs/dbraw/zinc/05/11/03/198051103.db2.gz FGVGKBDNORKEJJ-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000172166654 198051105 /nfs/dbraw/zinc/05/11/05/198051105.db2.gz FGVGKBDNORKEJJ-IEBWSBKVSA-N 2 1 301.478 3.211 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000298556549 282786621 /nfs/dbraw/zinc/78/66/21/282786621.db2.gz VLIVJNZXRIHJKV-UHFFFAOYSA-N 2 1 320.234 3.004 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331723185 234046241 /nfs/dbraw/zinc/04/62/41/234046241.db2.gz UZGSIRPNVLPCBN-CRAIPNDOSA-N 2 1 315.461 3.209 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000107371952 432031014 /nfs/dbraw/zinc/03/10/14/432031014.db2.gz VGOBUSQJRGGYRB-FQEVSTJZSA-N 2 1 315.505 3.022 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000173386314 198209549 /nfs/dbraw/zinc/20/95/49/198209549.db2.gz YTCWJBOGJJXMSL-KGLIPLIRSA-N 2 1 317.433 3.196 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000107369769 432031244 /nfs/dbraw/zinc/03/12/44/432031244.db2.gz HOAUJOXPSFQADT-HXUWFJFHSA-N 2 1 323.484 3.052 20 0 DGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000130955243 432031451 /nfs/dbraw/zinc/03/14/51/432031451.db2.gz VQOJKUQOMCPDQY-SNVBAGLBSA-N 2 1 303.219 3.191 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182061030 199380666 /nfs/dbraw/zinc/38/06/66/199380666.db2.gz LVKMMSNUXMWYBF-KGLIPLIRSA-N 2 1 314.433 3.137 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000174220233 198307422 /nfs/dbraw/zinc/30/74/22/198307422.db2.gz BBWIFAYLOOQRCI-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000131436037 432037805 /nfs/dbraw/zinc/03/78/05/432037805.db2.gz GGVHQGPDAQXZSD-INIZCTEOSA-N 2 1 317.477 3.196 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103912 283076636 /nfs/dbraw/zinc/07/66/36/283076636.db2.gz LRXBTIIICDSPNH-RYQLBKOJSA-N 2 1 323.912 3.440 20 0 DGADMP CCCN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423103912 283076640 /nfs/dbraw/zinc/07/66/40/283076640.db2.gz LRXBTIIICDSPNH-RYQLBKOJSA-N 2 1 323.912 3.440 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000164483037 432047603 /nfs/dbraw/zinc/04/76/03/432047603.db2.gz KYKGGNWRRZULQW-NYHFZMIOSA-N 2 1 322.518 3.339 20 0 DGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000132459120 432050317 /nfs/dbraw/zinc/05/03/17/432050317.db2.gz DMSWPHDKHHLSRK-GOSISDBHSA-N 2 1 312.457 3.496 20 0 DGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000132459120 432050321 /nfs/dbraw/zinc/05/03/21/432050321.db2.gz DMSWPHDKHHLSRK-GOSISDBHSA-N 2 1 312.457 3.496 20 0 DGADMP C[N@@H+](CCOCC1CC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391778 432056554 /nfs/dbraw/zinc/05/65/54/432056554.db2.gz VTTXICQDPSPQTD-UHFFFAOYSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)[NH+]1CCCCC1 ZINC000184510570 199725259 /nfs/dbraw/zinc/72/52/59/199725259.db2.gz OXLUMQXBMMPGEB-WCJKSRRJSA-N 2 1 322.518 3.339 20 0 DGADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000236886682 202052820 /nfs/dbraw/zinc/05/28/20/202052820.db2.gz GOOSBJVPNLQUKR-GOSISDBHSA-N 2 1 311.429 3.038 20 0 DGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000236886682 202052823 /nfs/dbraw/zinc/05/28/23/202052823.db2.gz GOOSBJVPNLQUKR-GOSISDBHSA-N 2 1 311.429 3.038 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1 ZINC000237109286 202155016 /nfs/dbraw/zinc/15/50/16/202155016.db2.gz SJVVBEUNCWXLIQ-UHFFFAOYSA-N 2 1 306.450 3.056 20 0 DGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000414690020 283280997 /nfs/dbraw/zinc/28/09/97/283280997.db2.gz HFQUYKUYRPLDMQ-BRWVUGGUSA-N 2 1 317.477 3.114 20 0 DGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000180392656 199154070 /nfs/dbraw/zinc/15/40/70/199154070.db2.gz WMFWGWAIPMDFSD-IAGOWNOFSA-N 2 1 302.462 3.216 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000180640683 199189663 /nfs/dbraw/zinc/18/96/63/199189663.db2.gz ZUBNSUANAOFMRI-UZLBHIALSA-N 2 1 310.441 3.104 20 0 DGADMP CC[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180163019 432079827 /nfs/dbraw/zinc/07/98/27/432079827.db2.gz DCURWBGTMIDVLQ-VOBGVNJCSA-N 2 1 316.489 3.180 20 0 DGADMP CCc1noc(C2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000414838377 236896609 /nfs/dbraw/zinc/89/66/09/236896609.db2.gz KNWHGVPWOYXZBC-UYSNPLJNSA-N 2 1 320.481 3.155 20 0 DGADMP COc1ccc(Oc2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)cc2)cc1 ZINC000414885070 236928873 /nfs/dbraw/zinc/92/88/73/236928873.db2.gz GAILEXXHJHUCQX-LJQANCHMSA-N 2 1 312.413 3.314 20 0 DGADMP [NH3+][C@@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C1CC1 ZINC000414894157 236931347 /nfs/dbraw/zinc/93/13/47/236931347.db2.gz SFYQNUQSEOEYRN-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP C[C@@]1(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC[NH2+]C1 ZINC000415098191 237078384 /nfs/dbraw/zinc/07/83/84/237078384.db2.gz DZXWDCDTZUQGBK-GOSISDBHSA-N 2 1 315.392 3.102 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC[NH2+]2)cc1 ZINC000415103668 237081872 /nfs/dbraw/zinc/08/18/72/237081872.db2.gz KRMPIGQZKDCYBD-FQBWVUSXSA-N 2 1 312.457 3.027 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CCCC1 ZINC000415071182 237055021 /nfs/dbraw/zinc/05/50/21/237055021.db2.gz WBJYVXNGNRJUGP-HNNXBMFYSA-N 2 1 316.367 3.235 20 0 DGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415076378 237059410 /nfs/dbraw/zinc/05/94/10/237059410.db2.gz GIWCFQSJMAAJJS-VHDGCEQUSA-N 2 1 316.367 3.037 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CCCO1 ZINC000415113384 237085987 /nfs/dbraw/zinc/08/59/87/237085987.db2.gz RMICTAHUCITCFN-ZDUSSCGKSA-N 2 1 320.433 3.104 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CCCO1 ZINC000415113384 237085994 /nfs/dbraw/zinc/08/59/94/237085994.db2.gz RMICTAHUCITCFN-ZDUSSCGKSA-N 2 1 320.433 3.104 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187842080 200165229 /nfs/dbraw/zinc/16/52/29/200165229.db2.gz COROSCVRQCLJMP-UXHICEINSA-N 2 1 316.489 3.197 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330257 237696598 /nfs/dbraw/zinc/69/65/98/237696598.db2.gz APQXFDKTBIQTNC-MSOLQXFVSA-N 2 1 302.462 3.004 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188729252 200295700 /nfs/dbraw/zinc/29/57/00/200295700.db2.gz QFLXXEBMVBLCMU-IPYPFGDCSA-N 2 1 312.404 3.149 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCC2 ZINC000423166083 237829206 /nfs/dbraw/zinc/82/92/06/237829206.db2.gz CEQCMMUIXGUIDG-XLAORIBOSA-N 2 1 300.446 3.027 20 0 DGADMP CCOC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000189347152 200385623 /nfs/dbraw/zinc/38/56/23/200385623.db2.gz AOLMSTHWRVHPRX-HXUWFJFHSA-N 2 1 318.505 3.344 20 0 DGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000425938609 237959337 /nfs/dbraw/zinc/95/93/37/237959337.db2.gz QQJKZGLMQZVZQI-QWHCGFSZSA-N 2 1 300.393 3.445 20 0 DGADMP C[C@@H]([NH3+])c1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000429570596 238055040 /nfs/dbraw/zinc/05/50/40/238055040.db2.gz PBCWKSPTNHQXHY-LLVKDONJSA-N 2 1 303.431 3.082 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000281260573 216193537 /nfs/dbraw/zinc/19/35/37/216193537.db2.gz WMOQKGUCMHFRTL-KBXCAEBGSA-N 2 1 313.445 3.382 20 0 DGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2F)CCCO1 ZINC000432350988 238125947 /nfs/dbraw/zinc/12/59/47/238125947.db2.gz HMLGQNUNIAPUJN-FIMWJMCYSA-N 2 1 324.415 3.069 20 0 DGADMP C[N@@H+](CC[C@H]1CCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807220 432092233 /nfs/dbraw/zinc/09/22/33/432092233.db2.gz UOGQJDGARNAYKW-LJQANCHMSA-N 2 1 317.477 3.189 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCS2 ZINC000191490235 200706784 /nfs/dbraw/zinc/70/67/84/200706784.db2.gz QQYCECUBHJGJLE-KRWDZBQOSA-N 2 1 318.486 3.449 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435379229 238295661 /nfs/dbraw/zinc/29/56/61/238295661.db2.gz IESMXUXNPPEGPS-INIZCTEOSA-N 2 1 324.472 3.006 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435379229 238295669 /nfs/dbraw/zinc/29/56/69/238295669.db2.gz IESMXUXNPPEGPS-INIZCTEOSA-N 2 1 324.472 3.006 20 0 DGADMP c1cc(C[N@@H+](Cc2cccnc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435424887 238305787 /nfs/dbraw/zinc/30/57/87/238305787.db2.gz BPSLUGVZVDSVLV-KRWDZBQOSA-N 2 1 313.470 3.287 20 0 DGADMP C[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC1CCCCC1 ZINC000441369095 239040655 /nfs/dbraw/zinc/04/06/55/239040655.db2.gz CNMWGJFIFPXTMN-KRWDZBQOSA-N 2 1 309.542 3.209 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442792039 239125822 /nfs/dbraw/zinc/12/58/22/239125822.db2.gz NCKOHTXAKYVTNW-IAGOWNOFSA-N 2 1 323.484 3.489 20 0 DGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442792039 239125823 /nfs/dbraw/zinc/12/58/23/239125823.db2.gz NCKOHTXAKYVTNW-IAGOWNOFSA-N 2 1 323.484 3.489 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000442919705 239151639 /nfs/dbraw/zinc/15/16/39/239151639.db2.gz MQELNUKUVLYEKG-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000442930062 239154991 /nfs/dbraw/zinc/15/49/91/239154991.db2.gz SKIFKLQIMPEFGN-ZDUSSCGKSA-N 2 1 316.367 3.189 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000443196139 239183823 /nfs/dbraw/zinc/18/38/23/239183823.db2.gz KLFXRGIBAACAQF-NTDBWNAOSA-N 2 1 303.494 3.059 20 0 DGADMP C[C@H](CNc1cc[nH+]c2cc(Br)ccc12)[NH+](C)C ZINC000443436136 239201878 /nfs/dbraw/zinc/20/18/78/239201878.db2.gz KZCTWUNPSJXUDA-SNVBAGLBSA-N 2 1 308.223 3.359 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000444625158 239308458 /nfs/dbraw/zinc/30/84/58/239308458.db2.gz HMJWWAPQSNPBHF-LJQANCHMSA-N 2 1 315.505 3.069 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)O1 ZINC000449107741 240021999 /nfs/dbraw/zinc/02/19/99/240021999.db2.gz RELLEMHPWZUMRC-ANQUJSFKSA-N 2 1 308.491 3.116 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)O1 ZINC000449107741 240022003 /nfs/dbraw/zinc/02/20/03/240022003.db2.gz RELLEMHPWZUMRC-ANQUJSFKSA-N 2 1 308.491 3.116 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449133625 240033387 /nfs/dbraw/zinc/03/33/87/240033387.db2.gz ZAPYIICBYGHAAW-INIZCTEOSA-N 2 1 304.482 3.208 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449133625 240033393 /nfs/dbraw/zinc/03/33/93/240033393.db2.gz ZAPYIICBYGHAAW-INIZCTEOSA-N 2 1 304.482 3.208 20 0 DGADMP CCOCCC[N@H+]1CC[C@H](NCc2cccc(C)c2F)[C@H](C)C1 ZINC000449138857 240034173 /nfs/dbraw/zinc/03/41/73/240034173.db2.gz JGMCXDYQNFBGCS-AEFFLSMTSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449138857 240034180 /nfs/dbraw/zinc/03/41/80/240034180.db2.gz JGMCXDYQNFBGCS-AEFFLSMTSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449138857 240034184 /nfs/dbraw/zinc/03/41/84/240034184.db2.gz JGMCXDYQNFBGCS-AEFFLSMTSA-N 2 1 322.468 3.361 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCC(C)C ZINC000449090684 240013092 /nfs/dbraw/zinc/01/30/92/240013092.db2.gz OEVYUEQOBWCNBS-UHFFFAOYSA-N 2 1 301.434 3.406 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000449216145 240071633 /nfs/dbraw/zinc/07/16/33/240071633.db2.gz QBDDHZXYSXNKOU-GNVJSZRZSA-N 2 1 316.489 3.443 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000449232703 240081443 /nfs/dbraw/zinc/08/14/43/240081443.db2.gz IWZUPXZRSBHSER-WOJBJXKFSA-N 2 1 316.489 3.312 20 0 DGADMP Cc1ccc(CCC[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cn1 ZINC000449388420 240172465 /nfs/dbraw/zinc/17/24/65/240172465.db2.gz ZRZTVSACPJMOTO-IBGZPJMESA-N 2 1 303.494 3.423 20 0 DGADMP Fc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000449399834 240173376 /nfs/dbraw/zinc/17/33/76/240173376.db2.gz DTZBINVRWTVQPE-OLZOCXBDSA-N 2 1 312.816 3.074 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449577015 240300028 /nfs/dbraw/zinc/30/00/28/240300028.db2.gz CQCAMCVNEXCYSC-RNQOJCNYSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449577015 240300030 /nfs/dbraw/zinc/30/00/30/240300030.db2.gz CQCAMCVNEXCYSC-RNQOJCNYSA-N 2 1 316.489 3.180 20 0 DGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560132 240287635 /nfs/dbraw/zinc/28/76/35/240287635.db2.gz GPYRSXDRYSFWGW-COSYGPSOSA-N 2 1 302.462 3.402 20 0 DGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccnn2C)c1 ZINC000449560623 240289491 /nfs/dbraw/zinc/28/94/91/240289491.db2.gz NOOQPUXJAFMZRT-AYHJJNSGSA-N 2 1 324.472 3.110 20 0 DGADMP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091859980 193119165 /nfs/dbraw/zinc/11/91/65/193119165.db2.gz ZILAYMDBUMDQOR-DLBZAZTESA-N 2 1 315.505 3.447 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000246218703 432109556 /nfs/dbraw/zinc/10/95/56/432109556.db2.gz GMIDIGWOKKFRMS-CRAIPNDOSA-N 2 1 315.461 3.142 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452058209 241307387 /nfs/dbraw/zinc/30/73/87/241307387.db2.gz HSQCHLKCMFBIPX-INIZCTEOSA-N 2 1 310.507 3.273 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CC)c2)[C@@H](C)C1 ZINC000189999110 432111225 /nfs/dbraw/zinc/11/12/25/432111225.db2.gz OOIRNKAYMIZVAD-PXNSSMCTSA-N 2 1 318.505 3.476 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSCc3ccccc3)CC[C@@H]21 ZINC000190055609 432116967 /nfs/dbraw/zinc/11/69/67/432116967.db2.gz UGLFIAQKOOUTMY-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSCc3ccccc3)CC[C@@H]21 ZINC000190055609 432116972 /nfs/dbraw/zinc/11/69/72/432116972.db2.gz UGLFIAQKOOUTMY-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSCc3ccccc3)CC[C@@H]21 ZINC000190055609 432116976 /nfs/dbraw/zinc/11/69/76/432116976.db2.gz UGLFIAQKOOUTMY-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1C[NH+](C)C ZINC000458269117 243013963 /nfs/dbraw/zinc/01/39/63/243013963.db2.gz HBNLJQKLVCVHAF-OWCLPIDISA-N 2 1 317.477 3.256 20 0 DGADMP CCCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253764 193180806 /nfs/dbraw/zinc/18/08/06/193180806.db2.gz YJEWKFZNJOTFRN-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253764 193180808 /nfs/dbraw/zinc/18/08/08/193180808.db2.gz YJEWKFZNJOTFRN-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253764 193180810 /nfs/dbraw/zinc/18/08/10/193180810.db2.gz YJEWKFZNJOTFRN-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253764 193180812 /nfs/dbraw/zinc/18/08/12/193180812.db2.gz YJEWKFZNJOTFRN-KRWDZBQOSA-N 2 1 320.477 3.258 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253412 193180287 /nfs/dbraw/zinc/18/02/87/193180287.db2.gz SYQLFRWUQMEBCD-CYBMUJFWSA-N 2 1 316.367 3.201 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253412 193180288 /nfs/dbraw/zinc/18/02/88/193180288.db2.gz SYQLFRWUQMEBCD-CYBMUJFWSA-N 2 1 316.367 3.201 20 0 DGADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253412 193180289 /nfs/dbraw/zinc/18/02/89/193180289.db2.gz SYQLFRWUQMEBCD-CYBMUJFWSA-N 2 1 316.367 3.201 20 0 DGADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253412 193180290 /nfs/dbraw/zinc/18/02/90/193180290.db2.gz SYQLFRWUQMEBCD-CYBMUJFWSA-N 2 1 316.367 3.201 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253411 193180318 /nfs/dbraw/zinc/18/03/18/193180318.db2.gz SYQLFRWUQMEBCD-ZDUSSCGKSA-N 2 1 316.367 3.201 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253411 193180319 /nfs/dbraw/zinc/18/03/19/193180319.db2.gz SYQLFRWUQMEBCD-ZDUSSCGKSA-N 2 1 316.367 3.201 20 0 DGADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253411 193180320 /nfs/dbraw/zinc/18/03/20/193180320.db2.gz SYQLFRWUQMEBCD-ZDUSSCGKSA-N 2 1 316.367 3.201 20 0 DGADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253411 193180321 /nfs/dbraw/zinc/18/03/21/193180321.db2.gz SYQLFRWUQMEBCD-ZDUSSCGKSA-N 2 1 316.367 3.201 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc(Cl)c1 ZINC000191278054 296121939 /nfs/dbraw/zinc/12/19/39/296121939.db2.gz LVAVSYXMQSHAGG-TZMCWYRMSA-N 2 1 316.898 3.289 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000459447376 243374812 /nfs/dbraw/zinc/37/48/12/243374812.db2.gz JMOXPSXBWFRRHB-UHFFFAOYSA-N 3 1 319.537 3.246 20 0 DGADMP CCC[NH+]1CCC([N@@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000109787585 284070016 /nfs/dbraw/zinc/07/00/16/284070016.db2.gz RTHLGXWAOJAWJV-UHFFFAOYSA-N 2 1 308.441 3.401 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000113997752 284105884 /nfs/dbraw/zinc/10/58/84/284105884.db2.gz IWFAJHMJYVESQS-MRXNPFEDSA-N 2 1 304.478 3.246 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000113997752 284105886 /nfs/dbraw/zinc/10/58/86/284105886.db2.gz IWFAJHMJYVESQS-MRXNPFEDSA-N 2 1 304.478 3.246 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1cccc(Br)c1 ZINC000469885780 244131965 /nfs/dbraw/zinc/13/19/65/244131965.db2.gz VTFBJHVPIQOIPB-SHPPOPEUSA-N 2 1 323.278 3.222 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000470019986 244138219 /nfs/dbraw/zinc/13/82/19/244138219.db2.gz WDERNGPDFXXLNN-OLZOCXBDSA-N 2 1 311.267 3.094 20 0 DGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000470019986 244138224 /nfs/dbraw/zinc/13/82/24/244138224.db2.gz WDERNGPDFXXLNN-OLZOCXBDSA-N 2 1 311.267 3.094 20 0 DGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839862 244256354 /nfs/dbraw/zinc/25/63/54/244256354.db2.gz PROIVWAVUKJICY-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471839862 244256360 /nfs/dbraw/zinc/25/63/60/244256360.db2.gz PROIVWAVUKJICY-HKUYNNGSSA-N 2 1 313.445 3.155 20 0 DGADMP Nc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858374 244259378 /nfs/dbraw/zinc/25/93/78/244259378.db2.gz HFBFGGSNCVGURP-FPOVZHCZSA-N 2 1 323.484 3.441 20 0 DGADMP c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)CO2 ZINC000093563913 193267989 /nfs/dbraw/zinc/26/79/89/193267989.db2.gz SYQJNGBULIRUIQ-IBGZPJMESA-N 2 1 312.457 3.413 20 0 DGADMP c1ccc2c(c1)C=C(C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)CO2 ZINC000093563913 193267991 /nfs/dbraw/zinc/26/79/91/193267991.db2.gz SYQJNGBULIRUIQ-IBGZPJMESA-N 2 1 312.457 3.413 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(-n2cccn2)c1 ZINC000093659903 193284576 /nfs/dbraw/zinc/28/45/76/193284576.db2.gz BIUHSQVVDJBKOA-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(-n2cccn2)c1 ZINC000093659903 193284578 /nfs/dbraw/zinc/28/45/78/193284578.db2.gz BIUHSQVVDJBKOA-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(-n2cccn2)c1 ZINC000093659903 193284580 /nfs/dbraw/zinc/28/45/80/193284580.db2.gz BIUHSQVVDJBKOA-SFHVURJKSA-N 2 1 312.461 3.179 20 0 DGADMP CC[N@H+](Cc1ccccc1Br)CC1CC[NH2+]CC1 ZINC000094011268 193338215 /nfs/dbraw/zinc/33/82/15/193338215.db2.gz CNYIUJOKOUYURZ-UHFFFAOYSA-N 2 1 311.267 3.271 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000121450130 284197556 /nfs/dbraw/zinc/19/75/56/284197556.db2.gz KGQLYYQQNNYMID-BJZITVGISA-N 2 1 302.462 3.089 20 0 DGADMP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000121450130 284197558 /nfs/dbraw/zinc/19/75/58/284197558.db2.gz KGQLYYQQNNYMID-BJZITVGISA-N 2 1 302.462 3.089 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2Cl)[C@H](C)C1 ZINC000246351818 432121995 /nfs/dbraw/zinc/12/19/95/432121995.db2.gz HTOLUSGUIZWVOO-YCPHGPKFSA-N 2 1 310.869 3.427 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(CO)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913259 212028271 /nfs/dbraw/zinc/02/82/71/212028271.db2.gz NOTFZEUSWFFYIM-LAUBAEHRSA-N 2 1 324.468 3.179 20 0 DGADMP COCC[N@H+](C)CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000487283212 245044995 /nfs/dbraw/zinc/04/49/95/245044995.db2.gz XZFGJQPGPQPKIK-FUHWJXTLSA-N 2 1 322.518 3.039 20 0 DGADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000487283212 245044999 /nfs/dbraw/zinc/04/49/99/245044999.db2.gz XZFGJQPGPQPKIK-FUHWJXTLSA-N 2 1 322.518 3.039 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000122904155 284228500 /nfs/dbraw/zinc/22/85/00/284228500.db2.gz HAEMIUDOBVEFHX-MSOLQXFVSA-N 2 1 304.478 3.127 20 0 DGADMP Cc1cnc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000122905570 284228536 /nfs/dbraw/zinc/22/85/36/284228536.db2.gz JESUMPVNCBYQOL-AWEZNQCLSA-N 2 1 319.474 3.243 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122819093 284226273 /nfs/dbraw/zinc/22/62/73/284226273.db2.gz MNNVBMPEAJIFMX-YCPHGPKFSA-N 2 1 318.461 3.011 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C(C)C)CC2)c1C ZINC000264663958 204062260 /nfs/dbraw/zinc/06/22/60/204062260.db2.gz WLHLVVUBEJESEF-UHFFFAOYSA-N 2 1 305.466 3.012 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C(C)C)CC2)c1C ZINC000264663958 204062262 /nfs/dbraw/zinc/06/22/62/204062262.db2.gz WLHLVVUBEJESEF-UHFFFAOYSA-N 2 1 305.466 3.012 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1C ZINC000124356386 284257627 /nfs/dbraw/zinc/25/76/27/284257627.db2.gz ULGIHPZIJFJIHQ-SFHVURJKSA-N 2 1 317.521 3.228 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000124711036 284263088 /nfs/dbraw/zinc/26/30/88/284263088.db2.gz KKITWAWAOBGDKY-APWZRJJASA-N 2 1 304.478 3.336 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349081 432124808 /nfs/dbraw/zinc/12/48/08/432124808.db2.gz JVJISBSOQIJUPP-IIAWOOMASA-N 2 1 305.466 3.077 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000181349081 432124812 /nfs/dbraw/zinc/12/48/12/432124812.db2.gz JVJISBSOQIJUPP-IIAWOOMASA-N 2 1 305.466 3.077 20 0 DGADMP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482444 217028075 /nfs/dbraw/zinc/02/80/75/217028075.db2.gz LUWJLZXKCIMHLW-SJORKVTESA-N 2 1 310.869 3.444 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000282482444 217028077 /nfs/dbraw/zinc/02/80/77/217028077.db2.gz LUWJLZXKCIMHLW-SJORKVTESA-N 2 1 310.869 3.444 20 0 DGADMP COc1ccc2oc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)cc2c1 ZINC000126371499 284302537 /nfs/dbraw/zinc/30/25/37/284302537.db2.gz YNCUNMBBJSHLMN-LSDHHAIUSA-N 2 1 302.418 3.404 20 0 DGADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000135563375 432126311 /nfs/dbraw/zinc/12/63/11/432126311.db2.gz TWBIHABCFUVCFS-SFHVURJKSA-N 2 1 321.428 3.115 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000127471796 284341556 /nfs/dbraw/zinc/34/15/56/284341556.db2.gz DZMAPKRSAMUQSN-ZIFCJYIRSA-N 2 1 304.478 3.302 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268766296 432128226 /nfs/dbraw/zinc/12/82/26/432128226.db2.gz NOYPBGYKIYLBAC-UYAOXDASSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268766296 432128231 /nfs/dbraw/zinc/12/82/31/432128231.db2.gz NOYPBGYKIYLBAC-UYAOXDASSA-N 2 1 317.521 3.217 20 0 DGADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268766296 432128235 /nfs/dbraw/zinc/12/82/35/432128235.db2.gz NOYPBGYKIYLBAC-UYAOXDASSA-N 2 1 317.521 3.217 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282956521 217349930 /nfs/dbraw/zinc/34/99/30/217349930.db2.gz KCEYVMZTVYFLOX-CGTJXYLNSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282956521 217349932 /nfs/dbraw/zinc/34/99/32/217349932.db2.gz KCEYVMZTVYFLOX-CGTJXYLNSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1C ZINC000246428070 432130728 /nfs/dbraw/zinc/13/07/28/432130728.db2.gz NQNSCAMQLWXELB-XMTFNYHQSA-N 2 1 304.478 3.471 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129152581 284399948 /nfs/dbraw/zinc/39/99/48/284399948.db2.gz SSLFDMZOQBXJIZ-HZMBPMFUSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129152581 284399950 /nfs/dbraw/zinc/39/99/50/284399950.db2.gz SSLFDMZOQBXJIZ-HZMBPMFUSA-N 2 1 315.230 3.018 20 0 DGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)cs1 ZINC000020306073 182205199 /nfs/dbraw/zinc/20/51/99/182205199.db2.gz CIBPJKJMZJPBPA-UHFFFAOYSA-N 2 1 305.285 3.332 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000268783130 432133306 /nfs/dbraw/zinc/13/33/06/432133306.db2.gz QMPSNHJJLVDQKK-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894298 246093434 /nfs/dbraw/zinc/09/34/34/246093434.db2.gz MXUVZPUAOMQKNL-AKHDSKFASA-N 2 1 318.505 3.188 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894298 246093436 /nfs/dbraw/zinc/09/34/36/246093436.db2.gz MXUVZPUAOMQKNL-AKHDSKFASA-N 2 1 318.505 3.188 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000268791645 432134104 /nfs/dbraw/zinc/13/41/04/432134104.db2.gz GNXARJRKEWEKRF-ZMSDIMECSA-N 2 1 302.462 3.045 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@H+](C/C=C/c3ccncc3)C2)[nH+]1 ZINC000494947699 246213509 /nfs/dbraw/zinc/21/35/09/246213509.db2.gz AWPSDQUHPPPGAK-YWPBOTNQSA-N 2 1 308.429 3.232 20 0 DGADMP Cc1cccc(NC[C@H]2CC[N@@H+](C/C=C/c3ccncc3)C2)[nH+]1 ZINC000494947699 246213513 /nfs/dbraw/zinc/21/35/13/246213513.db2.gz AWPSDQUHPPPGAK-YWPBOTNQSA-N 2 1 308.429 3.232 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC[C@H]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000246508748 432140150 /nfs/dbraw/zinc/14/01/50/432140150.db2.gz SQAFXKSODLPJDS-NMLBUPMWSA-N 2 1 321.553 3.161 20 0 DGADMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321117 296239002 /nfs/dbraw/zinc/23/90/02/296239002.db2.gz CIIPFWQVNOUVDN-KBPBESRZSA-N 2 1 308.853 3.088 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCCC2 ZINC000181809131 432144945 /nfs/dbraw/zinc/14/49/45/432144945.db2.gz AUOXIEUTLMMNOC-IAGOWNOFSA-N 2 1 305.466 3.299 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(C)c1 ZINC000246596733 432146785 /nfs/dbraw/zinc/14/67/85/432146785.db2.gz ZVKOQEROEKBZRY-YWTNHNAXSA-N 2 1 304.478 3.471 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000042427852 183269435 /nfs/dbraw/zinc/26/94/35/183269435.db2.gz XYLYKCFLCHADQY-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000105442552 194104301 /nfs/dbraw/zinc/10/43/01/194104301.db2.gz HJUOEWTVRDXLIG-GFCCVEGCSA-N 2 1 306.479 3.371 20 0 DGADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000110643737 194346048 /nfs/dbraw/zinc/34/60/48/194346048.db2.gz WUSQNLYJFVBBMT-JTQLQIEISA-N 2 1 315.230 3.147 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000245913973 284853862 /nfs/dbraw/zinc/85/38/62/284853862.db2.gz PRKZWOYGFBAXHA-BRSBDYLESA-N 2 1 308.510 3.290 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000268902715 207070717 /nfs/dbraw/zinc/07/07/17/207070717.db2.gz RJJOZGARVAZEEJ-UWJYYQICSA-N 2 1 324.468 3.179 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNc2ccccn2)cc1 ZINC000268979247 207140094 /nfs/dbraw/zinc/14/00/94/207140094.db2.gz KBZUSVFJWJXTQB-OAHLLOKOSA-N 2 1 321.428 3.338 20 0 DGADMP C[C@@H](C[NH2+]Cc1csc(Br)c1)C[NH+]1CCCC1 ZINC000057994513 184065414 /nfs/dbraw/zinc/06/54/14/184065414.db2.gz HGKAPLSJTQBMKE-NSHDSACASA-N 2 1 317.296 3.332 20 0 DGADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268993899 207151601 /nfs/dbraw/zinc/15/16/01/207151601.db2.gz SAFIRVRDDWDKKJ-NLWGTHIKSA-N 2 1 318.505 3.285 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccncc2)cc1 ZINC000269018356 207168011 /nfs/dbraw/zinc/16/80/11/207168011.db2.gz PAGHYDYKMKZZHR-OAHLLOKOSA-N 2 1 306.413 3.469 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000269038623 207187473 /nfs/dbraw/zinc/18/74/73/207187473.db2.gz WHHIPCWFJRZKOF-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000269038623 207187475 /nfs/dbraw/zinc/18/74/75/207187475.db2.gz WHHIPCWFJRZKOF-XLIONFOSSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000269055332 207204486 /nfs/dbraw/zinc/20/44/86/207204486.db2.gz SBIMTJVCIWCALK-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000269055332 207204491 /nfs/dbraw/zinc/20/44/91/207204491.db2.gz SBIMTJVCIWCALK-PKOBYXMFSA-N 2 1 318.505 3.285 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269079638 207226083 /nfs/dbraw/zinc/22/60/83/207226083.db2.gz ZERMYOPJFPNIHQ-LSTDLKDCSA-N 2 1 304.478 3.036 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269079638 207226086 /nfs/dbraw/zinc/22/60/86/207226086.db2.gz ZERMYOPJFPNIHQ-LSTDLKDCSA-N 2 1 304.478 3.036 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269091103 207233200 /nfs/dbraw/zinc/23/32/00/207233200.db2.gz QOWMMQBAPNQMQC-LMMKCTJWSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269091103 207233202 /nfs/dbraw/zinc/23/32/02/207233202.db2.gz QOWMMQBAPNQMQC-LMMKCTJWSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121131919 252632296 /nfs/dbraw/zinc/63/22/96/252632296.db2.gz XDBMSYBFLZLCBD-XLIONFOSSA-N 2 1 316.489 3.338 20 0 DGADMP CSc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442767655 532985512 /nfs/dbraw/zinc/98/55/12/532985512.db2.gz ZDEJZWHJSBXNGX-YIONKMFJSA-N 2 1 306.475 3.002 20 0 DGADMP COC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000435061909 532991880 /nfs/dbraw/zinc/99/18/80/532991880.db2.gz VIOHBGNVWVILKM-UHFFFAOYSA-N 2 1 317.477 3.358 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000248905801 285038326 /nfs/dbraw/zinc/03/83/26/285038326.db2.gz YMAZALGWOLIMIT-XYJFISCASA-N 2 1 316.489 3.435 20 0 DGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119700336 195021192 /nfs/dbraw/zinc/02/11/92/195021192.db2.gz ILBFJUZQROCSNW-HUUCEWRRSA-N 2 1 302.462 3.404 20 0 DGADMP COC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000295577857 533003286 /nfs/dbraw/zinc/00/32/86/533003286.db2.gz BEFQAQAAACRPNN-PKOBYXMFSA-N 2 1 316.489 3.446 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249015789 285046034 /nfs/dbraw/zinc/04/60/34/285046034.db2.gz POVVVMQUXYREFJ-WBVHZDCISA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249015789 285046035 /nfs/dbraw/zinc/04/60/35/285046035.db2.gz POVVVMQUXYREFJ-WBVHZDCISA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249015789 285046038 /nfs/dbraw/zinc/04/60/38/285046038.db2.gz POVVVMQUXYREFJ-WBVHZDCISA-N 2 1 322.468 3.287 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000119972340 195073111 /nfs/dbraw/zinc/07/31/11/195073111.db2.gz OHAWZIDGAFZKJV-HNNXBMFYSA-N 2 1 306.450 3.230 20 0 DGADMP Cc1nc(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cs1 ZINC000120125381 195101221 /nfs/dbraw/zinc/10/12/21/195101221.db2.gz YTYSKWKBOBZUPI-KRWDZBQOSA-N 2 1 321.534 3.438 20 0 DGADMP Cc1nc(CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cs1 ZINC000120125381 195101223 /nfs/dbraw/zinc/10/12/23/195101223.db2.gz YTYSKWKBOBZUPI-KRWDZBQOSA-N 2 1 321.534 3.438 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000269989986 208039885 /nfs/dbraw/zinc/03/98/85/208039885.db2.gz UNYXGWPLYKXXTD-UXHICEINSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000269989986 208039891 /nfs/dbraw/zinc/03/98/91/208039891.db2.gz UNYXGWPLYKXXTD-UXHICEINSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000269989986 208039896 /nfs/dbraw/zinc/03/98/96/208039896.db2.gz UNYXGWPLYKXXTD-UXHICEINSA-N 2 1 315.505 3.245 20 0 DGADMP COc1cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccc1OC(C)C ZINC000336855319 253008563 /nfs/dbraw/zinc/00/85/63/253008563.db2.gz WFKGTXVDGJYXFX-HOCLYGCPSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000336855319 253008565 /nfs/dbraw/zinc/00/85/65/253008565.db2.gz WFKGTXVDGJYXFX-HOCLYGCPSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000336855319 253008568 /nfs/dbraw/zinc/00/85/68/253008568.db2.gz WFKGTXVDGJYXFX-HOCLYGCPSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cccc(CCC[N@H+]2C[C@H](N)[C@H](c3ccccc3)C2)c1 ZINC000337040805 253039161 /nfs/dbraw/zinc/03/91/61/253039161.db2.gz AZORGYXUIRHFQK-PMACEKPBSA-N 2 1 310.441 3.055 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000337144565 253053507 /nfs/dbraw/zinc/05/35/07/253053507.db2.gz WRAGWQMAJHREJC-UHFFFAOYSA-N 2 1 306.498 3.408 20 0 DGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337393382 253105742 /nfs/dbraw/zinc/10/57/42/253105742.db2.gz ONPQQQCYAFOYFC-HOTGVXAUSA-N 2 1 322.493 3.263 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000337342273 253091627 /nfs/dbraw/zinc/09/16/27/253091627.db2.gz RBYHQCPUFUFJRW-CQSZACIVSA-N 2 1 301.434 3.188 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000338015902 253211026 /nfs/dbraw/zinc/21/10/26/253211026.db2.gz XVBFGWCOCSJYQV-QFBILLFUSA-N 3 1 318.509 3.214 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000338020354 253212124 /nfs/dbraw/zinc/21/21/24/253212124.db2.gz SJEVMCIOEJYSBB-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000338020354 253212125 /nfs/dbraw/zinc/21/21/25/253212125.db2.gz SJEVMCIOEJYSBB-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccnn2C)c1 ZINC000338434601 253286612 /nfs/dbraw/zinc/28/66/12/253286612.db2.gz JNIQXOBIKRUOCI-UHFFFAOYSA-N 2 1 324.472 3.112 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991610 197317132 /nfs/dbraw/zinc/31/71/32/197317132.db2.gz HBRHQXKKXQVZIS-IEBWSBKVSA-N 2 1 309.457 3.297 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000158991610 197317134 /nfs/dbraw/zinc/31/71/34/197317134.db2.gz HBRHQXKKXQVZIS-IEBWSBKVSA-N 2 1 309.457 3.297 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1SC ZINC000158899271 197308968 /nfs/dbraw/zinc/30/89/68/197308968.db2.gz LPRIFHLXEZUBLG-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1SC ZINC000158899271 197308970 /nfs/dbraw/zinc/30/89/70/197308970.db2.gz LPRIFHLXEZUBLG-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1SC ZINC000158899271 197308972 /nfs/dbraw/zinc/30/89/72/197308972.db2.gz LPRIFHLXEZUBLG-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1SC ZINC000158899271 197308975 /nfs/dbraw/zinc/30/89/75/197308975.db2.gz LPRIFHLXEZUBLG-CVEARBPZSA-N 2 1 320.502 3.333 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000339095842 253406115 /nfs/dbraw/zinc/40/61/15/253406115.db2.gz KHOMSABNGLMXSJ-WOCWXWTJSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000339095842 253406117 /nfs/dbraw/zinc/40/61/17/253406117.db2.gz KHOMSABNGLMXSJ-WOCWXWTJSA-N 2 1 316.489 3.443 20 0 DGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000342569516 254010079 /nfs/dbraw/zinc/01/00/79/254010079.db2.gz AAAHDVCZUVSOHB-ZDUSSCGKSA-N 2 1 300.368 3.479 20 0 DGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000342569516 254010081 /nfs/dbraw/zinc/01/00/81/254010081.db2.gz AAAHDVCZUVSOHB-ZDUSSCGKSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000342569516 254010083 /nfs/dbraw/zinc/01/00/83/254010083.db2.gz AAAHDVCZUVSOHB-ZDUSSCGKSA-N 2 1 300.368 3.479 20 0 DGADMP C[NH+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000342569516 254010085 /nfs/dbraw/zinc/01/00/85/254010085.db2.gz AAAHDVCZUVSOHB-ZDUSSCGKSA-N 2 1 300.368 3.479 20 0 DGADMP CCC1CC([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C1 ZINC000342622235 254020992 /nfs/dbraw/zinc/02/09/92/254020992.db2.gz DKPRNXPDXFKURX-UHFFFAOYSA-N 2 1 315.505 3.102 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000342774471 254047346 /nfs/dbraw/zinc/04/73/46/254047346.db2.gz FLHSQSUZTSUTDE-INIZCTEOSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000342774471 254047347 /nfs/dbraw/zinc/04/73/47/254047347.db2.gz FLHSQSUZTSUTDE-INIZCTEOSA-N 2 1 318.509 3.205 20 0 DGADMP CCO[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860131 254066112 /nfs/dbraw/zinc/06/61/12/254066112.db2.gz NUUPZUISDBEPGR-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860131 254066114 /nfs/dbraw/zinc/06/61/14/254066114.db2.gz NUUPZUISDBEPGR-DLBZAZTESA-N 2 1 307.482 3.497 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860133 254066983 /nfs/dbraw/zinc/06/69/83/254066983.db2.gz NUUPZUISDBEPGR-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1(CC)CC ZINC000342860133 254066985 /nfs/dbraw/zinc/06/69/85/254066985.db2.gz NUUPZUISDBEPGR-IAGOWNOFSA-N 2 1 307.482 3.497 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000343442455 254143817 /nfs/dbraw/zinc/14/38/17/254143817.db2.gz IVPISWWTRCDYPH-XWTMOSNGSA-N 2 1 301.478 3.489 20 0 DGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000343442455 254143818 /nfs/dbraw/zinc/14/38/18/254143818.db2.gz IVPISWWTRCDYPH-XWTMOSNGSA-N 2 1 301.478 3.489 20 0 DGADMP Cc1c[nH+]ccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343624797 254169425 /nfs/dbraw/zinc/16/94/25/254169425.db2.gz HZDJXFMBTNTZBR-HXUWFJFHSA-N 2 1 307.441 3.492 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000343940406 254204915 /nfs/dbraw/zinc/20/49/15/254204915.db2.gz SHZURMHSSYXQBE-PTGCCPEKSA-N 2 1 302.462 3.225 20 0 DGADMP Cc1ccc2[nH]c(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc2c1C ZINC000344084212 254223053 /nfs/dbraw/zinc/22/30/53/254223053.db2.gz AYOPCZXNGZOWJN-OAHLLOKOSA-N 2 1 308.429 3.333 20 0 DGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1Br ZINC000344277014 254249643 /nfs/dbraw/zinc/24/96/43/254249643.db2.gz BTBWCPBEJIGTGM-LBPRGKRZSA-N 2 1 309.251 3.362 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)c1 ZINC000157178499 197168292 /nfs/dbraw/zinc/16/82/92/197168292.db2.gz VGFXYXIBMZGOJF-IBGZPJMESA-N 2 1 324.472 3.323 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC[N@H+]1C ZINC000344633201 254291416 /nfs/dbraw/zinc/29/14/16/254291416.db2.gz RCSUGOIYLFYNJP-WBMJQRKESA-N 2 1 318.852 3.302 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000344690218 254296076 /nfs/dbraw/zinc/29/60/76/254296076.db2.gz WMGDYYLFPIPALC-GHMZBOCLSA-N 2 1 317.296 3.391 20 0 DGADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000344554978 254282169 /nfs/dbraw/zinc/28/21/69/254282169.db2.gz WXXOLXANTOORRU-OAQYLSRUSA-N 2 1 324.468 3.030 20 0 DGADMP CCCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000344761195 254302989 /nfs/dbraw/zinc/30/29/89/254302989.db2.gz CFOUZLUGAQSILI-MSOLQXFVSA-N 2 1 306.498 3.283 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cnn1C(C)C ZINC000345282410 254348869 /nfs/dbraw/zinc/34/88/69/254348869.db2.gz NYWBQTUAKSJKDT-CQSZACIVSA-N 2 1 304.482 3.440 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199229 197094505 /nfs/dbraw/zinc/09/45/05/197094505.db2.gz IHXYVLUBKUOGFZ-RKVPGOIHSA-N 2 1 302.462 3.294 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199229 197094507 /nfs/dbraw/zinc/09/45/07/197094507.db2.gz IHXYVLUBKUOGFZ-RKVPGOIHSA-N 2 1 302.462 3.294 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199346 197094350 /nfs/dbraw/zinc/09/43/50/197094350.db2.gz IHXYVLUBKUOGFZ-VKJFTORMSA-N 2 1 302.462 3.294 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000156199346 197094351 /nfs/dbraw/zinc/09/43/51/197094351.db2.gz IHXYVLUBKUOGFZ-VKJFTORMSA-N 2 1 302.462 3.294 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000120574003 195193737 /nfs/dbraw/zinc/19/37/37/195193737.db2.gz KDODDEHFJPRTMY-MRXNPFEDSA-N 2 1 317.477 3.418 20 0 DGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)nc1 ZINC000289533541 221047867 /nfs/dbraw/zinc/04/78/67/221047867.db2.gz BIFVJMVTGBOJDM-NSHDSACASA-N 2 1 314.271 3.083 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000289563925 221069652 /nfs/dbraw/zinc/06/96/52/221069652.db2.gz YWRCUIYODQJHIK-UHFFFAOYSA-N 2 1 314.477 3.169 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC000289880941 221289136 /nfs/dbraw/zinc/28/91/36/221289136.db2.gz SQIOKYNVQKXDEY-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC000289880941 221289139 /nfs/dbraw/zinc/28/91/39/221289139.db2.gz SQIOKYNVQKXDEY-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP Cc1cnccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000294951413 224334903 /nfs/dbraw/zinc/33/49/03/224334903.db2.gz VQYGJEWZHZGMEP-GOSISDBHSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1cnccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000294951413 224334904 /nfs/dbraw/zinc/33/49/04/224334904.db2.gz VQYGJEWZHZGMEP-GOSISDBHSA-N 2 1 301.478 3.478 20 0 DGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000353536396 285360956 /nfs/dbraw/zinc/36/09/56/285360956.db2.gz BJDUOWAHQIDXPK-IPQPSQTFSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2ccnc2)cc1 ZINC000295913009 533342794 /nfs/dbraw/zinc/34/27/94/533342794.db2.gz JHBAZQZBEZGKEV-DJXYKJKZSA-N 2 1 310.445 3.148 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2c1 ZINC000435374084 533355561 /nfs/dbraw/zinc/35/55/61/533355561.db2.gz HDPBGLNPAVGWLD-ZLIFDBKOSA-N 2 1 300.402 3.001 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292979744 533452114 /nfs/dbraw/zinc/45/21/14/533452114.db2.gz MYTNFQOOWSFQQC-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292979744 533452119 /nfs/dbraw/zinc/45/21/19/533452119.db2.gz MYTNFQOOWSFQQC-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292979744 533452121 /nfs/dbraw/zinc/45/21/21/533452121.db2.gz MYTNFQOOWSFQQC-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153309507 533507978 /nfs/dbraw/zinc/50/79/78/533507978.db2.gz NEOFVUGJOZKVMX-KGLIPLIRSA-N 2 1 319.474 3.495 20 0 DGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1O ZINC000414841115 533508372 /nfs/dbraw/zinc/50/83/72/533508372.db2.gz MZSNKFKTXYSDJV-RHSMWYFYSA-N 2 1 320.477 3.219 20 0 DGADMP CSCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309978929 533565694 /nfs/dbraw/zinc/56/56/94/533565694.db2.gz UAAWYMYDABZKPI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309978929 533565698 /nfs/dbraw/zinc/56/56/98/533565698.db2.gz UAAWYMYDABZKPI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CSCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309978929 533565702 /nfs/dbraw/zinc/56/57/02/533565702.db2.gz UAAWYMYDABZKPI-ROUUACIJSA-N 2 1 304.503 3.193 20 0 DGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357080611 285629868 /nfs/dbraw/zinc/62/98/68/285629868.db2.gz FIMQBVYKWRFUEH-ZFWWWQNUSA-N 2 1 323.506 3.062 20 0 DGADMP CCO[C@H](C)c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357080607 285630026 /nfs/dbraw/zinc/63/00/26/285630026.db2.gz FIMQBVYKWRFUEH-HIFRSBDPSA-N 2 1 323.506 3.062 20 0 DGADMP C[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@@H](C)S1 ZINC000608565820 400087236 /nfs/dbraw/zinc/08/72/36/400087236.db2.gz YRBLWFGOPDPUEO-GKEZSVGLSA-N 2 1 314.564 3.194 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000608500862 400080463 /nfs/dbraw/zinc/08/04/63/400080463.db2.gz KLMPINYTWGJFLG-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cc(C)cc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000608500862 400080465 /nfs/dbraw/zinc/08/04/65/400080465.db2.gz KLMPINYTWGJFLG-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cc(C)cc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000608500862 400080468 /nfs/dbraw/zinc/08/04/68/400080468.db2.gz KLMPINYTWGJFLG-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP Cc1cc(C)cc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000608500862 400080471 /nfs/dbraw/zinc/08/04/71/400080471.db2.gz KLMPINYTWGJFLG-GOSISDBHSA-N 2 1 304.478 3.488 20 0 DGADMP CCC[C@H](C(=O)OCC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609635442 400183670 /nfs/dbraw/zinc/18/36/70/400183670.db2.gz UXZKOJZWTOSTRZ-GOSISDBHSA-N 2 1 324.509 3.306 20 0 DGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000588710735 400225172 /nfs/dbraw/zinc/22/51/72/400225172.db2.gz VLMLWTXTDISIPD-CALCHBBNSA-N 2 1 308.510 3.388 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741939 400253152 /nfs/dbraw/zinc/25/31/52/400253152.db2.gz CIPCQQQAJQGCEX-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741939 400253158 /nfs/dbraw/zinc/25/31/58/400253158.db2.gz CIPCQQQAJQGCEX-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741939 400253164 /nfs/dbraw/zinc/25/31/64/400253164.db2.gz CIPCQQQAJQGCEX-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741939 400253169 /nfs/dbraw/zinc/25/31/69/400253169.db2.gz CIPCQQQAJQGCEX-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742290 400253407 /nfs/dbraw/zinc/25/34/07/400253407.db2.gz WCVGLUVOIDYWNH-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742290 400253409 /nfs/dbraw/zinc/25/34/09/400253409.db2.gz WCVGLUVOIDYWNH-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742290 400253417 /nfs/dbraw/zinc/25/34/17/400253417.db2.gz WCVGLUVOIDYWNH-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093742290 400253420 /nfs/dbraw/zinc/25/34/20/400253420.db2.gz WCVGLUVOIDYWNH-MRXNPFEDSA-N 2 1 320.477 3.176 20 0 DGADMP CC(C)CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401764446 400291732 /nfs/dbraw/zinc/29/17/32/400291732.db2.gz FIHKKYGQTBQJPJ-UHFFFAOYSA-N 2 1 301.434 3.177 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000034533344 400385384 /nfs/dbraw/zinc/38/53/84/400385384.db2.gz FCKUAKUUHQXUQO-GOSISDBHSA-N 2 1 324.468 3.463 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)cs1 ZINC000069754282 400341268 /nfs/dbraw/zinc/34/12/68/400341268.db2.gz MYKIFEJSTNNIBX-UHFFFAOYSA-N 2 1 314.252 3.195 20 0 DGADMP CSCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000611586639 400428242 /nfs/dbraw/zinc/42/82/42/400428242.db2.gz VIXPIBDKJUZXIS-OKZBNKHCSA-N 2 1 304.503 3.240 20 0 DGADMP Clc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc2c1OCO2 ZINC000591082258 400484029 /nfs/dbraw/zinc/48/40/29/400484029.db2.gz MNWAYDJFCJERGO-CYBMUJFWSA-N 2 1 319.792 3.102 20 0 DGADMP Clc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc2c1OCO2 ZINC000591082258 400484033 /nfs/dbraw/zinc/48/40/33/400484033.db2.gz MNWAYDJFCJERGO-CYBMUJFWSA-N 2 1 319.792 3.102 20 0 DGADMP COC(=O)c1csc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000602513133 400484402 /nfs/dbraw/zinc/48/44/02/400484402.db2.gz CVOPMMCFTOYJSC-AWEZNQCLSA-N 2 1 324.490 3.279 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c2ncccc12 ZINC000591082142 400484366 /nfs/dbraw/zinc/48/43/66/400484366.db2.gz CXZWHSKGGIAGTG-OAHLLOKOSA-N 2 1 310.376 3.408 20 0 DGADMP c1cn([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)cn1 ZINC000591866951 400568070 /nfs/dbraw/zinc/56/80/70/400568070.db2.gz KXSROCKMZHIJKB-QGZVFWFLSA-N 2 1 308.385 3.375 20 0 DGADMP c1cn([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)cn1 ZINC000591866951 400568074 /nfs/dbraw/zinc/56/80/74/400568074.db2.gz KXSROCKMZHIJKB-QGZVFWFLSA-N 2 1 308.385 3.375 20 0 DGADMP CC[NH+](CC)[C@H](CNc1cc[nH+]c(N(C)C)n1)c1ccsc1 ZINC000077189570 400693169 /nfs/dbraw/zinc/69/31/69/400693169.db2.gz ZTNAWXJUMOMACK-CQSZACIVSA-N 2 1 319.478 3.099 20 0 DGADMP CC[N@@H+](CCC[NH2+]C1CCC(C(=O)OC)CC1)C1CCCCC1 ZINC000593661328 400888552 /nfs/dbraw/zinc/88/85/52/400888552.db2.gz YEVHPIXARKGBLV-UHFFFAOYSA-N 2 1 324.509 3.353 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC1(C)C ZINC000598987735 400920790 /nfs/dbraw/zinc/92/07/90/400920790.db2.gz MHAHBYGQMUVSEH-CVEARBPZSA-N 2 1 324.509 3.207 20 0 DGADMP CC1CCC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000236828729 400981200 /nfs/dbraw/zinc/98/12/00/400981200.db2.gz CKNLMRJWHLTTRF-UHFFFAOYSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000629656014 401020576 /nfs/dbraw/zinc/02/05/76/401020576.db2.gz MNLQKZOSTMBDIM-OSAQELSMSA-N 2 1 318.358 3.388 20 0 DGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559142 400974596 /nfs/dbraw/zinc/97/45/96/400974596.db2.gz AGSYZRDRHVTWPK-OCCSQVGLSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559142 400974603 /nfs/dbraw/zinc/97/46/03/400974603.db2.gz AGSYZRDRHVTWPK-OCCSQVGLSA-N 2 1 304.331 3.093 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000629561506 400974727 /nfs/dbraw/zinc/97/47/27/400974727.db2.gz IEEGCSIRPXQYEK-GJZGRUSLSA-N 2 1 300.368 3.263 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000629559641 400975576 /nfs/dbraw/zinc/97/55/76/400975576.db2.gz BKSRJYSJZUVUJU-ZJUUUORDSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000629559641 400975581 /nfs/dbraw/zinc/97/55/81/400975581.db2.gz BKSRJYSJZUVUJU-ZJUUUORDSA-N 2 1 306.294 3.178 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccsc2)CC[C@H]1C(F)(F)F ZINC000629562464 400977263 /nfs/dbraw/zinc/97/72/63/400977263.db2.gz NHWMZYPXCVLHOU-QWHCGFSZSA-N 2 1 306.397 3.140 20 0 DGADMP CCOCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629574542 400980323 /nfs/dbraw/zinc/98/03/23/400980323.db2.gz KDQNMVOWFSODFU-YLJYHZDGSA-N 2 1 316.489 3.402 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(-c2ccc(CC[NH+](C)C)cc2)c1 ZINC000629733147 401064271 /nfs/dbraw/zinc/06/42/71/401064271.db2.gz ZWFGABTUAVFFLN-UHFFFAOYSA-N 2 1 306.413 3.347 20 0 DGADMP C[C@H]1Cc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2C[NH2+]1 ZINC000629733240 401064914 /nfs/dbraw/zinc/06/49/14/401064914.db2.gz KUMRHHWFPJPUMY-INIZCTEOSA-N 2 1 322.452 3.220 20 0 DGADMP C[C@@H](CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248885355 401079581 /nfs/dbraw/zinc/07/95/81/401079581.db2.gz LZLNREKXQHAJEH-HKUYNNGSSA-N 2 1 304.478 3.007 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580580 401080442 /nfs/dbraw/zinc/08/04/42/401080442.db2.gz FYKSOFWPYZFSIO-CVEARBPZSA-N 2 1 312.498 3.018 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580580 401080451 /nfs/dbraw/zinc/08/04/51/401080451.db2.gz FYKSOFWPYZFSIO-CVEARBPZSA-N 2 1 312.498 3.018 20 0 DGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657561 401022127 /nfs/dbraw/zinc/02/21/27/401022127.db2.gz ZTPACGBTNMAHKA-GXFFZTMASA-N 2 1 306.397 3.270 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657561 401022135 /nfs/dbraw/zinc/02/21/35/401022135.db2.gz ZTPACGBTNMAHKA-GXFFZTMASA-N 2 1 306.397 3.270 20 0 DGADMP CC(C)(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629656558 401022632 /nfs/dbraw/zinc/02/26/32/401022632.db2.gz OXRFDJOLZKSUII-DZGCQCFKSA-N 2 1 314.395 3.423 20 0 DGADMP CC(C)(C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629656558 401022636 /nfs/dbraw/zinc/02/26/36/401022636.db2.gz OXRFDJOLZKSUII-DZGCQCFKSA-N 2 1 314.395 3.423 20 0 DGADMP CC(C)CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227321 286004041 /nfs/dbraw/zinc/00/40/41/286004041.db2.gz DPRHKGBSIIHOBO-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227321 286004042 /nfs/dbraw/zinc/00/40/42/286004042.db2.gz DPRHKGBSIIHOBO-RBUKOAKNSA-N 2 1 304.478 3.210 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253168 286011776 /nfs/dbraw/zinc/01/17/76/286011776.db2.gz NNYWZVPXAZILHW-UZLBHIALSA-N 2 1 310.441 3.071 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(-c2ccccc2)c1 ZINC000358253168 286011778 /nfs/dbraw/zinc/01/17/78/286011778.db2.gz NNYWZVPXAZILHW-UZLBHIALSA-N 2 1 310.441 3.071 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260311 286013751 /nfs/dbraw/zinc/01/37/51/286013751.db2.gz XRBVGDFZAWPLRJ-IRXDYDNUSA-N 2 1 310.869 3.083 20 0 DGADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358260311 286013752 /nfs/dbraw/zinc/01/37/52/286013752.db2.gz XRBVGDFZAWPLRJ-IRXDYDNUSA-N 2 1 310.869 3.083 20 0 DGADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000630060563 401173916 /nfs/dbraw/zinc/17/39/16/401173916.db2.gz MIDPNYUEVAIQMX-QUCCMNQESA-N 2 1 313.489 3.038 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC[N@@H+]1C ZINC000358311781 286028171 /nfs/dbraw/zinc/02/81/71/286028171.db2.gz ZPMLFWZSHDSGKF-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC[N@H+]1C ZINC000358311781 286028172 /nfs/dbraw/zinc/02/81/72/286028172.db2.gz ZPMLFWZSHDSGKF-OWYHZJEWSA-N 2 1 302.462 3.197 20 0 DGADMP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000358366251 286043073 /nfs/dbraw/zinc/04/30/73/286043073.db2.gz IDYPJAGJPGGOAN-CQSZACIVSA-N 2 1 317.260 3.446 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000358348610 286038825 /nfs/dbraw/zinc/03/88/25/286038825.db2.gz CMQFQGUQFWKOEM-GOEBONIOSA-N 2 1 318.452 3.291 20 0 DGADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000358349255 286039115 /nfs/dbraw/zinc/03/91/15/286039115.db2.gz DLKROLOMTYNNJZ-PXNSSMCTSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000358349255 286039116 /nfs/dbraw/zinc/03/91/16/286039116.db2.gz DLKROLOMTYNNJZ-PXNSSMCTSA-N 2 1 309.457 3.390 20 0 DGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000634679296 401331865 /nfs/dbraw/zinc/33/18/65/401331865.db2.gz QCCWTPKKSKPHHW-RBUKOAKNSA-N 2 1 316.489 3.098 20 0 DGADMP COc1ccc2nc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)sc2c1 ZINC000634733714 401341077 /nfs/dbraw/zinc/34/10/77/401341077.db2.gz LVXAILBXASAMTO-LBPRGKRZSA-N 2 1 319.474 3.173 20 0 DGADMP CC[N@H+](Cc1cc(OC)ns1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063957 401292720 /nfs/dbraw/zinc/29/27/20/401292720.db2.gz WXFFJUGEYXTGHU-UHFFFAOYSA-N 2 1 319.474 3.235 20 0 DGADMP CC[N@@H+](Cc1cc(OC)ns1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063957 401292722 /nfs/dbraw/zinc/29/27/22/401292722.db2.gz WXFFJUGEYXTGHU-UHFFFAOYSA-N 2 1 319.474 3.235 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1cccs1 ZINC000631080134 401386913 /nfs/dbraw/zinc/38/69/13/401386913.db2.gz OBQQBILZBNUKGI-WMLDXEAASA-N 2 1 317.458 3.021 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1cccs1 ZINC000631080134 401386917 /nfs/dbraw/zinc/38/69/17/401386917.db2.gz OBQQBILZBNUKGI-WMLDXEAASA-N 2 1 317.458 3.021 20 0 DGADMP CC(=O)Nc1cccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000631084161 401388863 /nfs/dbraw/zinc/38/88/63/401388863.db2.gz WIRXSHNJFXTNPN-UHFFFAOYSA-N 2 1 305.466 3.244 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000635003086 401398629 /nfs/dbraw/zinc/39/86/29/401398629.db2.gz FSXHMBLNUSMGIA-SLEUVZQESA-N 2 1 317.399 3.024 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635003511 401399306 /nfs/dbraw/zinc/39/93/06/401399306.db2.gz DMYFITZHWLDCFF-IZBJGVDFSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635003511 401399308 /nfs/dbraw/zinc/39/93/08/401399308.db2.gz DMYFITZHWLDCFF-IZBJGVDFSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000635012212 401403441 /nfs/dbraw/zinc/40/34/41/401403441.db2.gz JNALMJWTTVSPMG-ZWNOBZJWSA-N 2 1 318.795 3.419 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc4c3CCOC4)CC[NH2+]2)cc1 ZINC000635012276 401403832 /nfs/dbraw/zinc/40/38/32/401403832.db2.gz KTVWXDKOFNUDPK-PZJWPPBQSA-N 2 1 322.452 3.342 20 0 DGADMP Cc1cnccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631192957 401421745 /nfs/dbraw/zinc/42/17/45/401421745.db2.gz BLMUNFVXPAOXJJ-XLIONFOSSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000631195034 401422478 /nfs/dbraw/zinc/42/24/78/401422478.db2.gz AFVFCHQHHXXNIF-PKOBYXMFSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000631195034 401422480 /nfs/dbraw/zinc/42/24/80/401422480.db2.gz AFVFCHQHHXXNIF-PKOBYXMFSA-N 2 1 309.457 3.248 20 0 DGADMP Cc1ccncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195975 401423668 /nfs/dbraw/zinc/42/36/68/401423668.db2.gz LVDCPQGTSVKUTO-FXAWDEMLSA-N 2 1 309.457 3.248 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCn2nccc21 ZINC000631664586 401529475 /nfs/dbraw/zinc/52/94/75/401529475.db2.gz PZZOYWFNKXEZDE-QRQLOZEOSA-N 2 1 324.472 3.076 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCn2nccc21 ZINC000631664586 401529479 /nfs/dbraw/zinc/52/94/79/401529479.db2.gz PZZOYWFNKXEZDE-QRQLOZEOSA-N 2 1 324.472 3.076 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631671062 401531753 /nfs/dbraw/zinc/53/17/53/401531753.db2.gz XMTIPPYLNSLONP-BHIYHBOVSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000623656394 401563530 /nfs/dbraw/zinc/56/35/30/401563530.db2.gz UEHAIQFHGATGAP-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C)c[nH]2)CC1)CC(C)C ZINC000628279846 401566582 /nfs/dbraw/zinc/56/65/82/401566582.db2.gz CINYQCRZGWBBJF-UHFFFAOYSA-N 2 1 306.498 3.298 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C)c[nH]2)CC1)CC(C)C ZINC000628279846 401566583 /nfs/dbraw/zinc/56/65/83/401566583.db2.gz CINYQCRZGWBBJF-UHFFFAOYSA-N 2 1 306.498 3.298 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628280584 401566650 /nfs/dbraw/zinc/56/66/50/401566650.db2.gz WIOJBNLTCYLAIA-UHFFFAOYSA-N 2 1 302.422 3.223 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628280584 401566651 /nfs/dbraw/zinc/56/66/51/401566651.db2.gz WIOJBNLTCYLAIA-UHFFFAOYSA-N 2 1 302.422 3.223 20 0 DGADMP Cc1ccc([C@H](C)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000628191046 401546736 /nfs/dbraw/zinc/54/67/36/401546736.db2.gz XUQMOUOGFBOQBN-GSEOLPGOSA-N 2 1 316.489 3.282 20 0 DGADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624299360 401647799 /nfs/dbraw/zinc/64/77/99/401647799.db2.gz JOOWMXVCDZSKNX-LASHMREHSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000624119622 401628274 /nfs/dbraw/zinc/62/82/74/401628274.db2.gz GINDLTSZUNHVSY-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121010 401628578 /nfs/dbraw/zinc/62/85/78/401628578.db2.gz LMYBSZMSRBOFJT-LSDHHAIUSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121010 401628579 /nfs/dbraw/zinc/62/85/79/401628579.db2.gz LMYBSZMSRBOFJT-LSDHHAIUSA-N 2 1 307.457 3.274 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000624121010 401628580 /nfs/dbraw/zinc/62/85/80/401628580.db2.gz LMYBSZMSRBOFJT-LSDHHAIUSA-N 2 1 307.457 3.274 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119954 401628594 /nfs/dbraw/zinc/62/85/94/401628594.db2.gz NEHWYFVHJHTIHT-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119954 401628596 /nfs/dbraw/zinc/62/85/96/401628596.db2.gz NEHWYFVHJHTIHT-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121397 401629032 /nfs/dbraw/zinc/62/90/32/401629032.db2.gz VGQWHHPOHCMRFC-QWFCFKBJSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCC[N@H+](C)C3)CC2)C1 ZINC000624121397 401629033 /nfs/dbraw/zinc/62/90/33/401629033.db2.gz VGQWHHPOHCMRFC-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCC[N@@H+](C)C3)CC2)C1 ZINC000624121397 401629034 /nfs/dbraw/zinc/62/90/34/401629034.db2.gz VGQWHHPOHCMRFC-QWFCFKBJSA-N 3 1 321.553 3.351 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121443 401629223 /nfs/dbraw/zinc/62/92/23/401629223.db2.gz WMNYJPGUNSLITP-SJORKVTESA-N 2 1 320.477 3.094 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121952 401629258 /nfs/dbraw/zinc/62/92/58/401629258.db2.gz GMECHBSRBYEXDX-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124104 401629784 /nfs/dbraw/zinc/62/97/84/401629784.db2.gz XIJOVXWUPFXOOP-NVXWUHKLSA-N 2 1 304.482 3.353 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124104 401629785 /nfs/dbraw/zinc/62/97/85/401629785.db2.gz XIJOVXWUPFXOOP-NVXWUHKLSA-N 2 1 304.482 3.353 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124106 401629792 /nfs/dbraw/zinc/62/97/92/401629792.db2.gz XIJOVXWUPFXOOP-WBVHZDCISA-N 2 1 304.482 3.353 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000624124106 401629793 /nfs/dbraw/zinc/62/97/93/401629793.db2.gz XIJOVXWUPFXOOP-WBVHZDCISA-N 2 1 304.482 3.353 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000623971028 401606968 /nfs/dbraw/zinc/60/69/68/401606968.db2.gz IBGQZRGSZHRCBR-ICSRJNTNSA-N 2 1 318.505 3.488 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000623971028 401606970 /nfs/dbraw/zinc/60/69/70/401606970.db2.gz IBGQZRGSZHRCBR-ICSRJNTNSA-N 2 1 318.505 3.488 20 0 DGADMP CC[C@@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000623977835 401607934 /nfs/dbraw/zinc/60/79/34/401607934.db2.gz BVBMHCTXZNXSPF-IBGZPJMESA-N 2 1 317.521 3.013 20 0 DGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512131 286081056 /nfs/dbraw/zinc/08/10/56/286081056.db2.gz UOLSUBAZHWSPEL-OAHLLOKOSA-N 2 1 311.429 3.478 20 0 DGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000358558907 286093400 /nfs/dbraw/zinc/09/34/00/286093400.db2.gz YQCRNDFOYDXCBM-MRXNPFEDSA-N 2 1 317.477 3.341 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000358558907 286093402 /nfs/dbraw/zinc/09/34/02/286093402.db2.gz YQCRNDFOYDXCBM-MRXNPFEDSA-N 2 1 317.477 3.341 20 0 DGADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000358558907 286093403 /nfs/dbraw/zinc/09/34/03/286093403.db2.gz YQCRNDFOYDXCBM-MRXNPFEDSA-N 2 1 317.477 3.341 20 0 DGADMP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C2CCCCC2)cc1 ZINC000479263931 292205012 /nfs/dbraw/zinc/20/50/12/292205012.db2.gz AELPLNWFTYUTSH-MOPGFXCFSA-N 2 1 304.478 3.129 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@@H+]1Cc1ccccc1 ZINC000358715221 286131251 /nfs/dbraw/zinc/13/12/51/286131251.db2.gz NKZDSXWRZXYCCD-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1Cc1ccccc1 ZINC000358715221 286131253 /nfs/dbraw/zinc/13/12/53/286131253.db2.gz NKZDSXWRZXYCCD-MJGOQNOKSA-N 2 1 318.505 3.428 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000358769357 286148993 /nfs/dbraw/zinc/14/89/93/286148993.db2.gz HEJRCOPCOJMNDS-WZGPROSRSA-N 2 1 316.489 3.443 20 0 DGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000358769357 286148996 /nfs/dbraw/zinc/14/89/96/286148996.db2.gz HEJRCOPCOJMNDS-WZGPROSRSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358992781 286208804 /nfs/dbraw/zinc/20/88/04/286208804.db2.gz RBTWXOKYCKDMKK-HDMKZQKVSA-N 2 1 316.493 3.040 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359039565 286221579 /nfs/dbraw/zinc/22/15/79/286221579.db2.gz VCWXMPSBOSDIDM-BHIYHBOVSA-N 2 1 304.478 3.097 20 0 DGADMP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000359039565 286221581 /nfs/dbraw/zinc/22/15/81/286221581.db2.gz VCWXMPSBOSDIDM-BHIYHBOVSA-N 2 1 304.478 3.097 20 0 DGADMP CO[C@@H]1CC[N@H+](CCCc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359069495 286229212 /nfs/dbraw/zinc/22/92/12/286229212.db2.gz XHRBQELBYXPFKJ-RTBURBONSA-N 2 1 312.457 3.211 20 0 DGADMP CO[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359069495 286229214 /nfs/dbraw/zinc/22/92/14/286229214.db2.gz XHRBQELBYXPFKJ-RTBURBONSA-N 2 1 312.457 3.211 20 0 DGADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102343 286237318 /nfs/dbraw/zinc/23/73/18/286237318.db2.gz FUQSDJMOWSTAFR-ICSRJNTNSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102343 286237319 /nfs/dbraw/zinc/23/73/19/286237319.db2.gz FUQSDJMOWSTAFR-ICSRJNTNSA-N 2 1 317.521 3.359 20 0 DGADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102343 286237320 /nfs/dbraw/zinc/23/73/20/286237320.db2.gz FUQSDJMOWSTAFR-ICSRJNTNSA-N 2 1 317.521 3.359 20 0 DGADMP OCCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000359184928 286257467 /nfs/dbraw/zinc/25/74/67/286257467.db2.gz DRPFBELQXIRTOO-HXUWFJFHSA-N 2 1 316.489 3.138 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000359230480 286265620 /nfs/dbraw/zinc/26/56/20/286265620.db2.gz ZMEUXXIBOFCEAM-LPHOPBHVSA-N 2 1 302.462 3.147 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359223261 286264045 /nfs/dbraw/zinc/26/40/45/286264045.db2.gz QYVOCJFWCLJUMC-RDTXWAMCSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359223261 286264047 /nfs/dbraw/zinc/26/40/47/286264047.db2.gz QYVOCJFWCLJUMC-RDTXWAMCSA-N 2 1 322.880 3.492 20 0 DGADMP Cc1nc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)sc1C ZINC000359228732 286265271 /nfs/dbraw/zinc/26/52/71/286265271.db2.gz XLQCJYLPQBQFJV-INIZCTEOSA-N 2 1 307.507 3.329 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422860466 286291170 /nfs/dbraw/zinc/29/11/70/286291170.db2.gz MKNKQGCWKJELAO-ZBFHGGJFSA-N 2 1 320.477 3.102 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc(-n2cccn2)c1 ZINC000359457553 286312353 /nfs/dbraw/zinc/31/23/53/286312353.db2.gz ONQWZLGJWPGEDX-UHFFFAOYSA-N 2 1 320.440 3.223 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]2C ZINC000359535805 286329517 /nfs/dbraw/zinc/32/95/17/286329517.db2.gz IXCBZXQWWDQXLO-ZMSDIMECSA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]2C ZINC000359535805 286329519 /nfs/dbraw/zinc/32/95/19/286329519.db2.gz IXCBZXQWWDQXLO-ZMSDIMECSA-N 2 1 302.462 3.487 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]2C ZINC000359535805 286329522 /nfs/dbraw/zinc/32/95/22/286329522.db2.gz IXCBZXQWWDQXLO-ZMSDIMECSA-N 2 1 302.462 3.487 20 0 DGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359644266 286352944 /nfs/dbraw/zinc/35/29/44/286352944.db2.gz QSWQNWRVSNVZGL-CQSZACIVSA-N 2 1 317.477 3.297 20 0 DGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359644266 286352945 /nfs/dbraw/zinc/35/29/45/286352945.db2.gz QSWQNWRVSNVZGL-CQSZACIVSA-N 2 1 317.477 3.297 20 0 DGADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000359925242 286389591 /nfs/dbraw/zinc/38/95/91/286389591.db2.gz LISLCNFYSYFDGG-BRWVUGGUSA-N 2 1 304.478 3.432 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344106433 286385562 /nfs/dbraw/zinc/38/55/62/286385562.db2.gz JYFOFAOSQICDOU-FGTMMUONSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC000359941622 286393308 /nfs/dbraw/zinc/39/33/08/286393308.db2.gz LFDZCGIRNDOFME-HUUCEWRRSA-N 2 1 304.482 3.399 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152403109 292337086 /nfs/dbraw/zinc/33/70/86/292337086.db2.gz RAPDFWJRVHEWGP-YJBOKZPZSA-N 2 1 300.446 3.283 20 0 DGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361184522 286618700 /nfs/dbraw/zinc/61/87/00/286618700.db2.gz RQJQOHVFLLJVNQ-QFBILLFUSA-N 2 1 314.473 3.155 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000362022125 286758716 /nfs/dbraw/zinc/75/87/16/286758716.db2.gz GGXZLFLOWOGBIR-PKOBYXMFSA-N 2 1 313.445 3.480 20 0 DGADMP C[N@H+]1CCCC12CCN(CCCOCc1ccccc1)CC2 ZINC000364646932 287048622 /nfs/dbraw/zinc/04/86/22/287048622.db2.gz NBMLEERVAYLZHV-UHFFFAOYSA-N 2 1 302.462 3.154 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](CCCOCc1ccccc1)CC2 ZINC000364646932 287048624 /nfs/dbraw/zinc/04/86/24/287048624.db2.gz NBMLEERVAYLZHV-UHFFFAOYSA-N 2 1 302.462 3.154 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CCCOCc1ccccc1)CC2 ZINC000364646932 287048626 /nfs/dbraw/zinc/04/86/26/287048626.db2.gz NBMLEERVAYLZHV-UHFFFAOYSA-N 2 1 302.462 3.154 20 0 DGADMP C[C@H](CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000364756527 287058391 /nfs/dbraw/zinc/05/83/91/287058391.db2.gz FCDPIXCJDRNEJC-GSEOLPGOSA-N 2 1 316.489 3.364 20 0 DGADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423117084 287069717 /nfs/dbraw/zinc/06/97/17/287069717.db2.gz SWBXCQUCTSZCKZ-QRQLOZEOSA-N 2 1 315.505 3.017 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C(C)(C)C ZINC000364955053 287079449 /nfs/dbraw/zinc/07/94/49/287079449.db2.gz PLHLRTWQIRJHHZ-CWRNSKLLSA-N 2 1 304.482 3.224 20 0 DGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C(C)(C)C ZINC000364955053 287079452 /nfs/dbraw/zinc/07/94/52/287079452.db2.gz PLHLRTWQIRJHHZ-CWRNSKLLSA-N 2 1 304.482 3.224 20 0 DGADMP CC(C)N(C)c1ccc(CNCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000190697638 165213027 /nfs/dbraw/zinc/21/30/27/165213027.db2.gz YVLYLFRXKXZDTG-QGZVFWFLSA-N 2 1 318.509 3.280 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000190697638 165213031 /nfs/dbraw/zinc/21/30/31/165213031.db2.gz YVLYLFRXKXZDTG-QGZVFWFLSA-N 2 1 318.509 3.280 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000190697638 165213036 /nfs/dbraw/zinc/21/30/36/165213036.db2.gz YVLYLFRXKXZDTG-QGZVFWFLSA-N 2 1 318.509 3.280 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000191450000 165250497 /nfs/dbraw/zinc/25/04/97/165250497.db2.gz IMVLMHUDGXZXLS-INIZCTEOSA-N 2 1 309.523 3.157 20 0 DGADMP CCc1cccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c[nH]c21 ZINC000192853877 165308719 /nfs/dbraw/zinc/30/87/19/165308719.db2.gz OIAOMIQJRQRHMS-AYHJJNSGSA-N 2 1 311.473 3.488 20 0 DGADMP C[C@@H]1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000192920929 165310365 /nfs/dbraw/zinc/31/03/65/165310365.db2.gz CMMKVTXHMPYBTG-NUJGCVRESA-N 2 1 302.462 3.054 20 0 DGADMP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000193202494 165319969 /nfs/dbraw/zinc/31/99/69/165319969.db2.gz GKDBDVCSAJVHGX-NXEWRWPSSA-N 2 1 315.505 3.284 20 0 DGADMP CCN(CC)CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000194534609 165348908 /nfs/dbraw/zinc/34/89/08/165348908.db2.gz VAPAUAQFTSHIIH-UHFFFAOYSA-N 2 1 314.433 3.043 20 0 DGADMP C[C@H]1CSCC[NH+](CCCC[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000190392907 432152463 /nfs/dbraw/zinc/15/24/63/432152463.db2.gz GFLOQOQXQZQEBP-HZPDHXFCSA-N 2 1 316.580 3.136 20 0 DGADMP COCCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000129451801 196049124 /nfs/dbraw/zinc/04/91/24/196049124.db2.gz FZYVBCALNFQZHJ-UHFFFAOYSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000136395016 432154240 /nfs/dbraw/zinc/15/42/40/432154240.db2.gz GRFQNFWJFCMXIN-ZDUSSCGKSA-N 2 1 308.853 3.095 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000136395016 432154245 /nfs/dbraw/zinc/15/42/45/432154245.db2.gz GRFQNFWJFCMXIN-ZDUSSCGKSA-N 2 1 308.853 3.095 20 0 DGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000136380784 432154398 /nfs/dbraw/zinc/15/43/98/432154398.db2.gz LTGIBOOHOXHRPS-IBGZPJMESA-N 2 1 318.509 3.170 20 0 DGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000269278168 432158550 /nfs/dbraw/zinc/15/85/50/432158550.db2.gz PMVVRVJGLSCTOL-IBGZPJMESA-N 2 1 319.493 3.022 20 0 DGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182257183 432171597 /nfs/dbraw/zinc/17/15/97/432171597.db2.gz PGCNRZHVRNXMKU-LSTHTHJFSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000182226536 432167792 /nfs/dbraw/zinc/16/77/92/432167792.db2.gz QXHRUSMLGPFGJQ-MOPGFXCFSA-N 2 1 304.478 3.168 20 0 DGADMP CCC(CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000246816357 432167938 /nfs/dbraw/zinc/16/79/38/432167938.db2.gz AXDFUBKSQZVSLC-JFRXWTBNSA-N 2 1 309.542 3.205 20 0 DGADMP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246825127 432168721 /nfs/dbraw/zinc/16/87/21/432168721.db2.gz BJZBZRBZYJKFKM-JTDSTZFVSA-N 2 1 304.478 3.432 20 0 DGADMP CO[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000182237192 432170144 /nfs/dbraw/zinc/17/01/44/432170144.db2.gz ABUKDBDGORVRIY-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000182237192 432170149 /nfs/dbraw/zinc/17/01/49/432170149.db2.gz ABUKDBDGORVRIY-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000182237192 432170154 /nfs/dbraw/zinc/17/01/54/432170154.db2.gz ABUKDBDGORVRIY-BHIYHBOVSA-N 2 1 302.462 3.008 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(OC)n2)CC1 ZINC000171859578 432178818 /nfs/dbraw/zinc/17/88/18/432178818.db2.gz LRQIVBWBILQSCH-UHFFFAOYSA-N 2 1 305.466 3.034 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000246902371 432179431 /nfs/dbraw/zinc/17/94/31/432179431.db2.gz HRTABBFLYLFFPJ-HNAYVOBHSA-N 2 1 312.461 3.001 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000246902371 432179435 /nfs/dbraw/zinc/17/94/35/432179435.db2.gz HRTABBFLYLFFPJ-HNAYVOBHSA-N 2 1 312.461 3.001 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000246851792 432172741 /nfs/dbraw/zinc/17/27/41/432172741.db2.gz COVBEVGVYICLML-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000246851792 432172743 /nfs/dbraw/zinc/17/27/43/432172743.db2.gz COVBEVGVYICLML-YJBOKZPZSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000246854511 432172914 /nfs/dbraw/zinc/17/29/14/432172914.db2.gz VZMAZWVTDUDNDW-MOPGFXCFSA-N 2 1 307.526 3.059 20 0 DGADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000190799434 432191117 /nfs/dbraw/zinc/19/11/17/432191117.db2.gz NAWMCGUNUGGTQZ-UHFFFAOYSA-N 2 1 318.509 3.279 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccccc1OC(F)F ZINC000190885992 432196617 /nfs/dbraw/zinc/19/66/17/432196617.db2.gz LTHTYHCIKGTJDE-UHFFFAOYSA-N 2 1 321.371 3.081 20 0 DGADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000247058282 432197779 /nfs/dbraw/zinc/19/77/79/432197779.db2.gz ZREBRJXCSORZJC-HNAYVOBHSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000247058282 432197784 /nfs/dbraw/zinc/19/77/84/432197784.db2.gz ZREBRJXCSORZJC-HNAYVOBHSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000247058282 432197787 /nfs/dbraw/zinc/19/77/87/432197787.db2.gz ZREBRJXCSORZJC-HNAYVOBHSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000247058282 432197790 /nfs/dbraw/zinc/19/77/90/432197790.db2.gz ZREBRJXCSORZJC-HNAYVOBHSA-N 2 1 320.427 3.456 20 0 DGADMP COC[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000247069768 432200610 /nfs/dbraw/zinc/20/06/10/432200610.db2.gz MXUVATFBMURIAR-KVPLUYHFSA-N 2 1 318.505 3.404 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000131252055 196153971 /nfs/dbraw/zinc/15/39/71/196153971.db2.gz YDDHNJAGUCKLJC-LKTVYLICSA-N 2 1 317.260 3.099 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000131252055 196153972 /nfs/dbraw/zinc/15/39/72/196153972.db2.gz YDDHNJAGUCKLJC-LKTVYLICSA-N 2 1 317.260 3.099 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000247175540 432208727 /nfs/dbraw/zinc/20/87/27/432208727.db2.gz STSYMLNCZJZZSX-CXHZTBPHSA-N 2 1 308.441 3.301 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000247186602 432209928 /nfs/dbraw/zinc/20/99/28/432209928.db2.gz VNUNVFATTSYQNU-HUUCEWRRSA-N 2 1 306.450 3.005 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247123794 432204234 /nfs/dbraw/zinc/20/42/34/432204234.db2.gz RGWYCEGILIFXGL-AZUAARDMSA-N 2 1 318.505 3.346 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000247113880 432204275 /nfs/dbraw/zinc/20/42/75/432204275.db2.gz QSZDUTSEFZJZKI-IAGOWNOFSA-N 2 1 312.461 3.255 20 0 DGADMP CC[C@@H](COC)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247260123 432216699 /nfs/dbraw/zinc/21/66/99/432216699.db2.gz ZCHJBTKEMWXSAP-OGWHTMIXSA-N 2 1 304.478 3.158 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000151104331 432218941 /nfs/dbraw/zinc/21/89/41/432218941.db2.gz ZENHWHNBHPRFNN-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000151104331 432218944 /nfs/dbraw/zinc/21/89/44/432218944.db2.gz ZENHWHNBHPRFNN-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318637 432221661 /nfs/dbraw/zinc/22/16/61/432221661.db2.gz SDYSKRINWQVPHS-IRXDYDNUSA-N 2 1 316.445 3.079 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318637 432221665 /nfs/dbraw/zinc/22/16/65/432221665.db2.gz SDYSKRINWQVPHS-IRXDYDNUSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318637 432221667 /nfs/dbraw/zinc/22/16/67/432221667.db2.gz SDYSKRINWQVPHS-IRXDYDNUSA-N 2 1 316.445 3.079 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247318637 432221670 /nfs/dbraw/zinc/22/16/70/432221670.db2.gz SDYSKRINWQVPHS-IRXDYDNUSA-N 2 1 316.445 3.079 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000269923404 432223001 /nfs/dbraw/zinc/22/30/01/432223001.db2.gz BIRUULLEVPFJSN-RISCZKNCSA-N 2 1 316.367 3.247 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000269923404 432223005 /nfs/dbraw/zinc/22/30/05/432223005.db2.gz BIRUULLEVPFJSN-RISCZKNCSA-N 2 1 316.367 3.247 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245858580 287266929 /nfs/dbraw/zinc/26/69/29/287266929.db2.gz HLWFCLASKOWQGF-XMTFNYHQSA-N 2 1 308.510 3.434 20 0 DGADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000133886804 196342508 /nfs/dbraw/zinc/34/25/08/196342508.db2.gz HAFXDZSZLNWCFP-NVXWUHKLSA-N 2 1 320.477 3.099 20 0 DGADMP C[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C)CC3)COC2)CC1 ZINC000182093039 287346653 /nfs/dbraw/zinc/34/66/53/287346653.db2.gz GLQMXRKZBRMOTH-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](C)CC3)COC2)CC1 ZINC000182093039 287346655 /nfs/dbraw/zinc/34/66/55/287346655.db2.gz GLQMXRKZBRMOTH-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](C)CC3)COC2)CC1 ZINC000182093039 287346659 /nfs/dbraw/zinc/34/66/59/287346659.db2.gz GLQMXRKZBRMOTH-HDICACEKSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750140 287345094 /nfs/dbraw/zinc/34/50/94/287345094.db2.gz ABUHWOSIZVJHAN-AKHDSKFASA-N 2 1 321.553 3.397 20 0 DGADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750140 287345095 /nfs/dbraw/zinc/34/50/95/287345095.db2.gz ABUHWOSIZVJHAN-AKHDSKFASA-N 2 1 321.553 3.397 20 0 DGADMP Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C(C)(C)C)n1 ZINC000133103215 227033905 /nfs/dbraw/zinc/03/39/05/227033905.db2.gz GLKDZPINIVYEAF-UHFFFAOYSA-N 2 1 306.498 3.116 20 0 DGADMP COCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291403845 222368650 /nfs/dbraw/zinc/36/86/50/222368650.db2.gz FGYCQZCIXSIIEF-UHFFFAOYSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559205 227302385 /nfs/dbraw/zinc/30/23/85/227302385.db2.gz FZRCTLMDQSKYOZ-KBPBESRZSA-N 2 1 304.463 3.034 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn[nH]c1 ZINC000297559205 227302389 /nfs/dbraw/zinc/30/23/89/227302389.db2.gz FZRCTLMDQSKYOZ-KBPBESRZSA-N 2 1 304.463 3.034 20 0 DGADMP Clc1cccc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)c1 ZINC000298256298 228447093 /nfs/dbraw/zinc/44/70/93/228447093.db2.gz FBJGXXIWZDKTJR-UHFFFAOYSA-N 2 1 322.880 3.117 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@H+]1C ZINC000344683967 229141942 /nfs/dbraw/zinc/14/19/42/229141942.db2.gz PICLITWHPXCARQ-BLLLJJGKSA-N 2 1 303.837 3.461 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000346318251 264008668 /nfs/dbraw/zinc/00/86/68/264008668.db2.gz XCWPIMRKFZOGGB-UHFFFAOYSA-N 2 1 323.444 3.146 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000346318251 264008672 /nfs/dbraw/zinc/00/86/72/264008672.db2.gz XCWPIMRKFZOGGB-UHFFFAOYSA-N 2 1 323.444 3.146 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000346563773 264055391 /nfs/dbraw/zinc/05/53/91/264055391.db2.gz REPPAYVLSMHFJZ-FRQCXROJSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000346631823 264069626 /nfs/dbraw/zinc/06/96/26/264069626.db2.gz CMUKMSCDKDSFDA-OAHLLOKOSA-N 2 1 300.393 3.136 20 0 DGADMP CCOc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(Cl)c1OC ZINC000346650588 264073117 /nfs/dbraw/zinc/07/31/17/264073117.db2.gz PTEOLEFMCGIBNL-UHFFFAOYSA-N 2 1 314.857 3.164 20 0 DGADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OCC(C)C ZINC000346657956 264074693 /nfs/dbraw/zinc/07/46/93/264074693.db2.gz HNPRQNLUEWBJKT-UHFFFAOYSA-N 2 1 308.466 3.147 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346684535 264079421 /nfs/dbraw/zinc/07/94/21/264079421.db2.gz QCYSYPLUJSTQST-GDBMZVCRSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000346687870 264079425 /nfs/dbraw/zinc/07/94/25/264079425.db2.gz WZORUGINRMVLSU-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cccc1OCC ZINC000346687870 264079427 /nfs/dbraw/zinc/07/94/27/264079427.db2.gz WZORUGINRMVLSU-CABCVRRESA-N 2 1 306.450 3.043 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000346691808 264080281 /nfs/dbraw/zinc/08/02/81/264080281.db2.gz WLALWFCGXPFPCI-MBNYWOFBSA-N 2 1 311.267 3.222 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000346693389 264081459 /nfs/dbraw/zinc/08/14/59/264081459.db2.gz MVINCFDCXZITRM-KRWDZBQOSA-N 2 1 300.450 3.190 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693738 264081502 /nfs/dbraw/zinc/08/15/02/264081502.db2.gz PGGPLNRNJOTNQW-OAHLLOKOSA-N 2 1 322.403 3.160 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)c1OC(F)F ZINC000346813805 264101856 /nfs/dbraw/zinc/10/18/56/264101856.db2.gz AZVQFLKJTZPFGU-ZNMIVQPWSA-N 2 1 310.388 3.074 20 0 DGADMP CCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346821070 264103725 /nfs/dbraw/zinc/10/37/25/264103725.db2.gz LERPIAGFLWXEPA-ULQDDVLXSA-N 2 1 318.461 3.043 20 0 DGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000346823154 264103795 /nfs/dbraw/zinc/10/37/95/264103795.db2.gz CGAAOLMQQVUXNG-KRWDZBQOSA-N 2 1 314.473 3.366 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(OCCC)c1 ZINC000347016862 264141411 /nfs/dbraw/zinc/14/14/11/264141411.db2.gz ZOKAUGCVDDTOIM-CRAIPNDOSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(OCCC)c1 ZINC000347016862 264141412 /nfs/dbraw/zinc/14/14/12/264141412.db2.gz ZOKAUGCVDDTOIM-CRAIPNDOSA-N 2 1 320.477 3.433 20 0 DGADMP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000347034800 264143309 /nfs/dbraw/zinc/14/33/09/264143309.db2.gz CQHQHQFWSKOPFF-UHFFFAOYSA-N 2 1 310.441 3.449 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1Oc1cccnc1 ZINC000347032471 264143444 /nfs/dbraw/zinc/14/34/44/264143444.db2.gz DUXUNRNEGJXQKQ-QAPCUYQASA-N 2 1 311.429 3.351 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032890 264143574 /nfs/dbraw/zinc/14/35/74/264143574.db2.gz AKLALLMLVVTQEC-CABCVRRESA-N 2 1 321.896 3.499 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032890 264143575 /nfs/dbraw/zinc/14/35/75/264143575.db2.gz AKLALLMLVVTQEC-CABCVRRESA-N 2 1 321.896 3.499 20 0 DGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000347031227 264143747 /nfs/dbraw/zinc/14/37/47/264143747.db2.gz YORDXAXUUPHMRO-SNVBAGLBSA-N 2 1 304.331 3.404 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032894 264144271 /nfs/dbraw/zinc/14/42/71/264144271.db2.gz AKLALLMLVVTQEC-GJZGRUSLSA-N 2 1 321.896 3.499 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347032894 264144275 /nfs/dbraw/zinc/14/42/75/264144275.db2.gz AKLALLMLVVTQEC-GJZGRUSLSA-N 2 1 321.896 3.499 20 0 DGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCC(C)C ZINC000347040528 264146087 /nfs/dbraw/zinc/14/60/87/264146087.db2.gz KOQGCKOWPDSYLN-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCC(C)C ZINC000347040528 264146089 /nfs/dbraw/zinc/14/60/89/264146089.db2.gz KOQGCKOWPDSYLN-WBVHZDCISA-N 2 1 320.477 3.289 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069720 264151152 /nfs/dbraw/zinc/15/11/52/264151152.db2.gz OSAOYFJAZGZTFV-ZFWWWQNUSA-N 2 1 318.852 3.085 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347069720 264151153 /nfs/dbraw/zinc/15/11/53/264151153.db2.gz OSAOYFJAZGZTFV-ZFWWWQNUSA-N 2 1 318.852 3.085 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000347074763 264151707 /nfs/dbraw/zinc/15/17/07/264151707.db2.gz UAEQSXIQRGKRCM-UHFFFAOYSA-N 2 1 304.331 3.276 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347075638 264152673 /nfs/dbraw/zinc/15/26/73/264152673.db2.gz UMAGOEZRGOUQDS-JSGCOSHPSA-N 2 1 316.367 3.187 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075690 264153190 /nfs/dbraw/zinc/15/31/90/264153190.db2.gz UNIYIJOMBYKWMM-QGZVFWFLSA-N 2 1 320.440 3.067 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC(C)C ZINC000347102405 264156606 /nfs/dbraw/zinc/15/66/06/264156606.db2.gz KKNSNYAXHMVOLI-GJZGRUSLSA-N 2 1 306.450 3.042 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC(C)C ZINC000347102405 264156609 /nfs/dbraw/zinc/15/66/09/264156609.db2.gz KKNSNYAXHMVOLI-GJZGRUSLSA-N 2 1 306.450 3.042 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000347115447 264160056 /nfs/dbraw/zinc/16/00/56/264160056.db2.gz TWDZDSLCDSVXAW-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000347115447 264160057 /nfs/dbraw/zinc/16/00/57/264160057.db2.gz TWDZDSLCDSVXAW-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000347162008 264167022 /nfs/dbraw/zinc/16/70/22/264167022.db2.gz IDPMUOKQQCDQCH-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000347162008 264167023 /nfs/dbraw/zinc/16/70/23/264167023.db2.gz IDPMUOKQQCDQCH-KRWDZBQOSA-N 2 1 320.477 3.306 20 0 DGADMP C[NH2+]C[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347165282 264167956 /nfs/dbraw/zinc/16/79/56/264167956.db2.gz JSTPPXKZCMSDIH-LJQANCHMSA-N 2 1 317.521 3.076 20 0 DGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)c1OC ZINC000347190941 264173103 /nfs/dbraw/zinc/17/31/03/264173103.db2.gz FPCFMAQQROBAHL-PBWFPOADSA-N 2 1 324.852 3.072 20 0 DGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)c1OC ZINC000347190941 264173106 /nfs/dbraw/zinc/17/31/06/264173106.db2.gz FPCFMAQQROBAHL-PBWFPOADSA-N 2 1 324.852 3.072 20 0 DGADMP CCCOc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347194477 264173996 /nfs/dbraw/zinc/17/39/96/264173996.db2.gz GYQAKTZAFDWJPV-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC(C)C ZINC000347217839 264177144 /nfs/dbraw/zinc/17/71/44/264177144.db2.gz RYFMGOIDVAARBE-ZBFHGGJFSA-N 2 1 306.450 3.042 20 0 DGADMP CCN(CC[NH+]1CCCCCC1)Cc1cc(OC)cc(C)[nH+]1 ZINC000347322791 264196387 /nfs/dbraw/zinc/19/63/87/264196387.db2.gz TUDQDJQOMVUMPS-UHFFFAOYSA-N 2 1 305.466 3.097 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000347424194 264218560 /nfs/dbraw/zinc/21/85/60/264218560.db2.gz SQUYBYFTQZGPOK-HLLBOEOZSA-N 2 1 318.490 3.006 20 0 DGADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000347424194 264218563 /nfs/dbraw/zinc/21/85/63/264218563.db2.gz SQUYBYFTQZGPOK-HLLBOEOZSA-N 2 1 318.490 3.006 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOCc2ccccc2)C[C@@H]1C ZINC000347444286 264222076 /nfs/dbraw/zinc/22/20/76/264222076.db2.gz RUVIMFQNOHGNJY-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCc2ccccc2)C[C@@H]1C ZINC000347444286 264222078 /nfs/dbraw/zinc/22/20/78/264222078.db2.gz RUVIMFQNOHGNJY-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCc2ccccc2)C[C@@H]1C ZINC000347444286 264222079 /nfs/dbraw/zinc/22/20/79/264222079.db2.gz RUVIMFQNOHGNJY-HKUYNNGSSA-N 2 1 304.478 3.398 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC(=O)CC2)C1 ZINC000347742819 264277608 /nfs/dbraw/zinc/27/76/08/264277608.db2.gz QLINHAUXQHXJFE-AEFFLSMTSA-N 2 1 306.494 3.332 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1 ZINC000347914582 264305181 /nfs/dbraw/zinc/30/51/81/264305181.db2.gz YMRICXHPCDLRBV-LSDHHAIUSA-N 2 1 321.428 3.253 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1 ZINC000348083284 264336224 /nfs/dbraw/zinc/33/62/24/264336224.db2.gz VCGXHWKBDSSELH-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1 ZINC000348083284 264336221 /nfs/dbraw/zinc/33/62/21/264336221.db2.gz VCGXHWKBDSSELH-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1 ZINC000348083284 264336225 /nfs/dbraw/zinc/33/62/25/264336225.db2.gz VCGXHWKBDSSELH-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(Br)c1 ZINC000348083284 264336228 /nfs/dbraw/zinc/33/62/28/264336228.db2.gz VCGXHWKBDSSELH-HNNXBMFYSA-N 2 1 311.267 3.365 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000348096029 264339487 /nfs/dbraw/zinc/33/94/87/264339487.db2.gz OKTXASBLNQOXOQ-LJQANCHMSA-N 2 1 303.494 3.423 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000348096029 264339489 /nfs/dbraw/zinc/33/94/89/264339489.db2.gz OKTXASBLNQOXOQ-LJQANCHMSA-N 2 1 303.494 3.423 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000348106971 264342511 /nfs/dbraw/zinc/34/25/11/264342511.db2.gz PWMQSMCWXGQHMM-LSDHHAIUSA-N 2 1 323.456 3.392 20 0 DGADMP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348192580 264362171 /nfs/dbraw/zinc/36/21/71/264362171.db2.gz LYCUCTZPCDWETN-IEBWSBKVSA-N 2 1 316.489 3.039 20 0 DGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000348203067 264363539 /nfs/dbraw/zinc/36/35/39/264363539.db2.gz NTVKZOXFMIXIML-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000348203067 264363540 /nfs/dbraw/zinc/36/35/40/264363540.db2.gz NTVKZOXFMIXIML-VQTJNVASSA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000348217872 264367218 /nfs/dbraw/zinc/36/72/18/264367218.db2.gz HUCVHOPBZQEWGX-LPHOPBHVSA-N 2 1 304.478 3.025 20 0 DGADMP Cc1ccnc(N2CCN(Cc3cccc4cccnc43)CC2)c1 ZINC000352345666 265008817 /nfs/dbraw/zinc/00/88/17/265008817.db2.gz NVIZPQFRHNQVNK-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000352507951 265073679 /nfs/dbraw/zinc/07/36/79/265073679.db2.gz FIDDEBYGUXQKSF-CQSZACIVSA-N 2 1 316.367 3.331 20 0 DGADMP Cc1cccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c1C ZINC000352509142 265074578 /nfs/dbraw/zinc/07/45/78/265074578.db2.gz JIIIKJNCXPUWJF-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP Cc1cccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c1C ZINC000352509142 265074582 /nfs/dbraw/zinc/07/45/82/265074582.db2.gz JIIIKJNCXPUWJF-UHFFFAOYSA-N 2 1 317.477 3.083 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OCC ZINC000352541117 265082787 /nfs/dbraw/zinc/08/27/87/265082787.db2.gz UGJSJFLKEDRUJP-INIZCTEOSA-N 2 1 306.450 3.187 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3CC[NH3+])s2)o1 ZINC000352545272 265084241 /nfs/dbraw/zinc/08/42/41/265084241.db2.gz HWXNQUSMGYCLEO-ZDUSSCGKSA-N 2 1 305.447 3.415 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3CC[NH3+])s2)o1 ZINC000352545272 265084243 /nfs/dbraw/zinc/08/42/43/265084243.db2.gz HWXNQUSMGYCLEO-ZDUSSCGKSA-N 2 1 305.447 3.415 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352546597 265084379 /nfs/dbraw/zinc/08/43/79/265084379.db2.gz XQWAYJDUMFEYOD-IBGZPJMESA-N 2 1 300.446 3.051 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352546597 265084383 /nfs/dbraw/zinc/08/43/83/265084383.db2.gz XQWAYJDUMFEYOD-IBGZPJMESA-N 2 1 300.446 3.051 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)s1 ZINC000352760544 265156107 /nfs/dbraw/zinc/15/61/07/265156107.db2.gz QAYKMEHSLOQLPT-CQSZACIVSA-N 2 1 323.506 3.176 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccccc3)CC2)s1 ZINC000352765831 265157470 /nfs/dbraw/zinc/15/74/70/265157470.db2.gz STVPJXDNVOBIQX-UHFFFAOYSA-N 2 1 301.459 3.026 20 0 DGADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Sc1ccccc1 ZINC000352767592 265159642 /nfs/dbraw/zinc/15/96/42/265159642.db2.gz MVDDBGSXDVEWPK-CYBMUJFWSA-N 2 1 321.515 3.475 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000352803583 265172961 /nfs/dbraw/zinc/17/29/61/265172961.db2.gz BUKNDFNYSQWGAZ-NTDBWNAOSA-N 2 1 307.526 3.102 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000352803583 265172965 /nfs/dbraw/zinc/17/29/65/265172965.db2.gz BUKNDFNYSQWGAZ-NTDBWNAOSA-N 2 1 307.526 3.102 20 0 DGADMP CC(C)(C)OCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352815655 265179062 /nfs/dbraw/zinc/17/90/62/265179062.db2.gz KZXWZIUEDDSIRN-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)(C)OCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352815655 265179064 /nfs/dbraw/zinc/17/90/64/265179064.db2.gz KZXWZIUEDDSIRN-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP CC(C)(C)OCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352815655 265179070 /nfs/dbraw/zinc/17/90/70/265179070.db2.gz KZXWZIUEDDSIRN-FQEVSTJZSA-N 2 1 316.489 3.400 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(c3ccccc3F)C2)s1 ZINC000352866862 265205946 /nfs/dbraw/zinc/20/59/46/265205946.db2.gz MVKRYNCJXRLVBJ-UHFFFAOYSA-N 2 1 319.449 3.380 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000353145797 265317391 /nfs/dbraw/zinc/31/73/91/265317391.db2.gz KAOLFSKAJQPZQV-SFHVURJKSA-N 2 1 313.470 3.268 20 0 DGADMP C[N@@H+](Cc1ccc(F)c2cccnc12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353150488 265318695 /nfs/dbraw/zinc/31/86/95/265318695.db2.gz CSHGRGYRIRUPLC-XYPWUTKMSA-N 2 1 313.420 3.431 20 0 DGADMP C[NH+](Cc1ccc(F)c2cccnc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353150488 265318700 /nfs/dbraw/zinc/31/87/00/265318700.db2.gz CSHGRGYRIRUPLC-XYPWUTKMSA-N 2 1 313.420 3.431 20 0 DGADMP C[NH+](Cc1ccc(F)c2cccnc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353150488 265318703 /nfs/dbraw/zinc/31/87/03/265318703.db2.gz CSHGRGYRIRUPLC-XYPWUTKMSA-N 2 1 313.420 3.431 20 0 DGADMP CSc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000353328605 265392197 /nfs/dbraw/zinc/39/21/97/265392197.db2.gz GIHXPXMYYAZZCJ-RDJZCZTQSA-N 2 1 322.518 3.152 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000354105679 265666050 /nfs/dbraw/zinc/66/60/50/265666050.db2.gz DLIUJJBNTAGWDU-INIZCTEOSA-N 2 1 310.869 3.273 20 0 DGADMP COc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355231686 266009286 /nfs/dbraw/zinc/00/92/86/266009286.db2.gz ZNABXDHKSYHZFY-INIZCTEOSA-N 2 1 316.470 3.368 20 0 DGADMP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@H]1c1ncc[nH]1 ZINC000355329455 266040586 /nfs/dbraw/zinc/04/05/86/266040586.db2.gz JLVDUEYESYPPTQ-BMFZPTHFSA-N 2 1 314.433 3.005 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@H]1c1ncc[nH]1 ZINC000355329455 266040588 /nfs/dbraw/zinc/04/05/88/266040588.db2.gz JLVDUEYESYPPTQ-BMFZPTHFSA-N 2 1 314.433 3.005 20 0 DGADMP CN(C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678627 266153717 /nfs/dbraw/zinc/15/37/17/266153717.db2.gz FNKOWWLMNMIAQK-WMLDXEAASA-N 2 1 316.836 3.259 20 0 DGADMP CN(C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)c1cc[nH+]cc1Cl ZINC000355678627 266153722 /nfs/dbraw/zinc/15/37/22/266153722.db2.gz FNKOWWLMNMIAQK-WMLDXEAASA-N 2 1 316.836 3.259 20 0 DGADMP CC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)COC1 ZINC000355781732 266182559 /nfs/dbraw/zinc/18/25/59/266182559.db2.gz KSUGTUQBGOWREX-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)COC1 ZINC000355781732 266182561 /nfs/dbraw/zinc/18/25/61/266182561.db2.gz KSUGTUQBGOWREX-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP CC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)COC1 ZINC000355781732 266182562 /nfs/dbraw/zinc/18/25/62/266182562.db2.gz KSUGTUQBGOWREX-FQEVSTJZSA-N 2 1 314.473 3.011 20 0 DGADMP Cc1nccn1CCCC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000356363064 266367909 /nfs/dbraw/zinc/36/79/09/266367909.db2.gz CQOUPFYUTOUEIP-GOSISDBHSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000356363064 266367912 /nfs/dbraw/zinc/36/79/12/266367912.db2.gz CQOUPFYUTOUEIP-GOSISDBHSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000356363064 266367916 /nfs/dbraw/zinc/36/79/16/266367916.db2.gz CQOUPFYUTOUEIP-GOSISDBHSA-N 2 1 313.445 3.373 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1C(C)(C)C ZINC000191189274 432232496 /nfs/dbraw/zinc/23/24/96/432232496.db2.gz FYOOLQUTTGGLQE-HUUCEWRRSA-N 2 1 306.498 3.329 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Br)o1 ZINC000191188527 432233101 /nfs/dbraw/zinc/23/31/01/432233101.db2.gz XYIRRXGFQYPPNU-UHFFFAOYSA-N 2 1 312.211 3.117 20 0 DGADMP COC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000182825708 432233301 /nfs/dbraw/zinc/23/33/01/432233301.db2.gz TZLQFRSNVGHCFQ-YVEFUNNKSA-N 2 1 323.387 3.083 20 0 DGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000151390307 432243403 /nfs/dbraw/zinc/24/34/03/432243403.db2.gz XHEVYLVNTHRSSF-HZPDHXFCSA-N 2 1 323.278 3.474 20 0 DGADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000367618354 271052995 /nfs/dbraw/zinc/05/29/95/271052995.db2.gz AXUBIWTXJZLQAT-GBESFXJTSA-N 2 1 313.445 3.132 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2occc2c1 ZINC000368021857 271115409 /nfs/dbraw/zinc/11/54/09/271115409.db2.gz MPVWMMDRRYVGFN-ZIFCJYIRSA-N 2 1 314.429 3.116 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2occc2c1 ZINC000368021857 271115413 /nfs/dbraw/zinc/11/54/13/271115413.db2.gz MPVWMMDRRYVGFN-ZIFCJYIRSA-N 2 1 314.429 3.116 20 0 DGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482693 271163081 /nfs/dbraw/zinc/16/30/81/271163081.db2.gz LATKFPIQORBUMU-MTQWCTHYSA-N 2 1 314.473 3.056 20 0 DGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000368482693 271163085 /nfs/dbraw/zinc/16/30/85/271163085.db2.gz LATKFPIQORBUMU-MTQWCTHYSA-N 2 1 314.473 3.056 20 0 DGADMP CCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OC ZINC000368952214 271224900 /nfs/dbraw/zinc/22/49/00/271224900.db2.gz UJHZXPKGRHPCKU-UHFFFAOYSA-N 2 1 318.461 3.154 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000370094120 271339947 /nfs/dbraw/zinc/33/99/47/271339947.db2.gz WTWWYNLDOQXVPW-BSDSXHPESA-N 2 1 306.494 3.188 20 0 DGADMP c1cncc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)c1 ZINC000370736878 271386010 /nfs/dbraw/zinc/38/60/10/271386010.db2.gz AZZVWMLIVNCNFJ-PMACEKPBSA-N 2 1 307.441 3.465 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000270503924 432252639 /nfs/dbraw/zinc/25/26/39/432252639.db2.gz QRGWEDXSJOZPRR-GOSISDBHSA-N 2 1 324.472 3.036 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(CO)c1 ZINC000270510655 432253499 /nfs/dbraw/zinc/25/34/99/432253499.db2.gz PEIZGBBVFVHVDO-DLBZAZTESA-N 2 1 304.478 3.484 20 0 DGADMP COc1cccc2c(N3CCC4(CC[NH2+]C4)CC3)cc(C)[nH+]c12 ZINC000420253703 274149610 /nfs/dbraw/zinc/14/96/10/274149610.db2.gz BNNDVQZQDPDQTA-UHFFFAOYSA-N 2 1 311.429 3.132 20 0 DGADMP COc1cccc2c1CC[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000193703906 274151076 /nfs/dbraw/zinc/15/10/76/274151076.db2.gz VWQZZRVZSHNSMR-UHFFFAOYSA-N 2 1 313.445 3.081 20 0 DGADMP COc1cccc2c1CC[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000193703906 274151077 /nfs/dbraw/zinc/15/10/77/274151077.db2.gz VWQZZRVZSHNSMR-UHFFFAOYSA-N 2 1 313.445 3.081 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000130084097 274393034 /nfs/dbraw/zinc/39/30/34/274393034.db2.gz JXKUGXASJLBWHV-MFKMUULPSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000130084097 274393035 /nfs/dbraw/zinc/39/30/35/274393035.db2.gz JXKUGXASJLBWHV-MFKMUULPSA-N 2 1 304.331 3.417 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CC[NH2+]1 ZINC000423367360 274393387 /nfs/dbraw/zinc/39/33/87/274393387.db2.gz AGFYPBDFEMNECQ-WCABBAIRSA-N 2 1 315.280 3.228 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000271812205 274861599 /nfs/dbraw/zinc/86/15/99/274861599.db2.gz YTXHFXBLSWEPMK-OAHLLOKOSA-N 2 1 320.234 3.231 20 0 DGADMP O[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)C[NH+]1CCCC1 ZINC000341740790 275057801 /nfs/dbraw/zinc/05/78/01/275057801.db2.gz IDUKCVQXEHKLER-QZTJIDSGSA-N 2 1 322.880 3.228 20 0 DGADMP c1csc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420337739 275074793 /nfs/dbraw/zinc/07/47/93/275074793.db2.gz WZMBZRZHLBRISP-ZIAGYGMSSA-N 2 1 317.458 3.225 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128372 276074600 /nfs/dbraw/zinc/07/46/00/276074600.db2.gz NJELLHVWISSXMV-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128372 276074602 /nfs/dbraw/zinc/07/46/02/276074602.db2.gz NJELLHVWISSXMV-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128372 276074604 /nfs/dbraw/zinc/07/46/04/276074604.db2.gz NJELLHVWISSXMV-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000283128372 276074605 /nfs/dbraw/zinc/07/46/05/276074605.db2.gz NJELLHVWISSXMV-PBHICJAKSA-N 2 1 310.869 3.301 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414073600 276075858 /nfs/dbraw/zinc/07/58/58/276075858.db2.gz MHEZICRLQQDXPO-OAHLLOKOSA-N 2 1 312.461 3.132 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414073600 276075859 /nfs/dbraw/zinc/07/58/59/276075859.db2.gz MHEZICRLQQDXPO-OAHLLOKOSA-N 2 1 312.461 3.132 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290051058 276151890 /nfs/dbraw/zinc/15/18/90/276151890.db2.gz FBLFRHYCAQFOHS-LJQANCHMSA-N 2 1 314.473 3.155 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040227462 276212475 /nfs/dbraw/zinc/21/24/75/276212475.db2.gz ZVBRGDOPHHXSSN-BLLLJJGKSA-N 2 1 323.278 3.368 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000247233563 276212770 /nfs/dbraw/zinc/21/27/70/276212770.db2.gz YKUGPTYJVVTXKE-RDJZCZTQSA-N 2 1 300.446 3.364 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)[C@@H](C)C1 ZINC000247245463 276316208 /nfs/dbraw/zinc/31/62/08/276316208.db2.gz ZEUCLKCISIBTNO-SZMVWBNQSA-N 2 1 320.477 3.384 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)[C@@H](C)C1 ZINC000247245463 276316209 /nfs/dbraw/zinc/31/62/09/276316209.db2.gz ZEUCLKCISIBTNO-SZMVWBNQSA-N 2 1 320.477 3.384 20 0 DGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000336855137 276323399 /nfs/dbraw/zinc/32/33/99/276323399.db2.gz GVJGEKYFCGGNSD-ZDUSSCGKSA-N 2 1 306.454 3.062 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000336870853 276340371 /nfs/dbraw/zinc/34/03/71/276340371.db2.gz CDPBPBJPGAUTGL-IMFGXOCKSA-N 2 1 315.505 3.284 20 0 DGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000107368755 276387827 /nfs/dbraw/zinc/38/78/27/276387827.db2.gz YPLRZRLLIVAASI-HOTGVXAUSA-N 2 1 321.896 3.113 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000151948200 277031204 /nfs/dbraw/zinc/03/12/04/277031204.db2.gz YIJJFYOOMQGUGZ-OAHLLOKOSA-N 2 1 309.251 3.120 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423268763 277031315 /nfs/dbraw/zinc/03/13/15/277031315.db2.gz GKBSSGGOSRUPSI-UWVGGRQHSA-N 2 1 306.784 3.448 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c4cccnc34)CC[C@@H]21 ZINC000158497537 277084198 /nfs/dbraw/zinc/08/41/98/277084198.db2.gz DGHGBAGEGLUTMR-KSSFIOAISA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CC[C@@H]21 ZINC000158497537 277084199 /nfs/dbraw/zinc/08/41/99/277084199.db2.gz DGHGBAGEGLUTMR-KSSFIOAISA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CC[C@@H]21 ZINC000158497537 277084202 /nfs/dbraw/zinc/08/42/02/277084202.db2.gz DGHGBAGEGLUTMR-KSSFIOAISA-N 2 1 313.420 3.290 20 0 DGADMP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1F ZINC000423365620 277263882 /nfs/dbraw/zinc/26/38/82/277263882.db2.gz KPZFUARYYRXRPZ-MJVIPROJSA-N 2 1 300.805 3.026 20 0 DGADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000482719199 277365763 /nfs/dbraw/zinc/36/57/63/277365763.db2.gz ZOZJJDQYUFGZCF-FHWLQOOXSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000482719199 277365764 /nfs/dbraw/zinc/36/57/64/277365764.db2.gz ZOZJJDQYUFGZCF-FHWLQOOXSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)CC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000482719199 277365765 /nfs/dbraw/zinc/36/57/65/277365765.db2.gz ZOZJJDQYUFGZCF-FHWLQOOXSA-N 2 1 310.526 3.370 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423000572 277396946 /nfs/dbraw/zinc/39/69/46/277396946.db2.gz VOOTUANJTBTAGJ-AYOQOUSVSA-N 2 1 301.478 3.089 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188142053 277586975 /nfs/dbraw/zinc/58/69/75/277586975.db2.gz SOZTYFOXIIDBRP-LBPRGKRZSA-N 2 1 300.368 3.493 20 0 DGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106053 277691965 /nfs/dbraw/zinc/69/19/65/277691965.db2.gz JHNWMOFVHCOZCN-IKLKHMQRSA-N 2 1 302.462 3.068 20 0 DGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090718542 278008444 /nfs/dbraw/zinc/00/84/44/278008444.db2.gz VNJZBEDWVFNKOU-RVKKMQEKSA-N 2 1 304.478 3.291 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414744498 278194842 /nfs/dbraw/zinc/19/48/42/278194842.db2.gz WLJARHQHECLHEU-DOMZBBRYSA-N 2 1 300.368 3.480 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000262132327 278216521 /nfs/dbraw/zinc/21/65/21/278216521.db2.gz LOSVKSHZRNMPLI-NZSAHSFTSA-N 2 1 303.494 3.190 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ncc(Br)s1 ZINC000423284922 278281149 /nfs/dbraw/zinc/28/11/49/278281149.db2.gz XNQKZGPCLGVVSR-GUBZILKMSA-N 2 1 318.284 3.074 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000414803742 278464410 /nfs/dbraw/zinc/46/44/10/278464410.db2.gz NYSIXVFQRZARBS-RWQQGDIJSA-N 3 1 307.526 3.137 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000151374005 278609664 /nfs/dbraw/zinc/60/96/64/278609664.db2.gz BPGNKSLJTWWILZ-BEFAXECRSA-N 2 1 302.462 3.061 20 0 DGADMP CC(C)C[C@H](C)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000414721521 279093844 /nfs/dbraw/zinc/09/38/44/279093844.db2.gz HHMQMMBINRDGMG-IRXDYDNUSA-N 2 1 318.509 3.046 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000340214882 279094503 /nfs/dbraw/zinc/09/45/03/279094503.db2.gz ZDZCSEQOUSXCBA-FCGDIQPGSA-N 2 1 310.526 3.370 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121235891 288104034 /nfs/dbraw/zinc/10/40/34/288104034.db2.gz ZLVJRQIDYBIDBP-JYBIWHBTSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000111646227 431228311 /nfs/dbraw/zinc/22/83/11/431228311.db2.gz FNYRIKIXYROFKE-KSZLIROESA-N 2 1 323.525 3.020 20 0 DGADMP Fc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834578 431501578 /nfs/dbraw/zinc/50/15/78/431501578.db2.gz UXNOHKBZZAKYDH-MRXNPFEDSA-N 2 1 306.425 3.012 20 0 DGADMP Fc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834578 431501582 /nfs/dbraw/zinc/50/15/82/431501582.db2.gz UXNOHKBZZAKYDH-MRXNPFEDSA-N 2 1 306.425 3.012 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000249284592 288218521 /nfs/dbraw/zinc/21/85/21/288218521.db2.gz LJXFVWWGMJOFHS-KVPLUYHFSA-N 2 1 316.489 3.302 20 0 DGADMP Cc1cc(Br)c2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420372750 280307144 /nfs/dbraw/zinc/30/71/44/280307144.db2.gz LYOWFWMVXWJEAS-ZDUSSCGKSA-N 2 1 323.278 3.115 20 0 DGADMP COCCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000117878164 431582511 /nfs/dbraw/zinc/58/25/11/431582511.db2.gz RYJZBRWFMCBMSZ-UHFFFAOYSA-N 2 1 304.478 3.257 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[NH+]1CCCCC1 ZINC000077371812 431587317 /nfs/dbraw/zinc/58/73/17/431587317.db2.gz OVCSZPHHUIVPHF-IBGZPJMESA-N 2 1 315.505 3.069 20 0 DGADMP FC(F)(F)Oc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000019992980 431621394 /nfs/dbraw/zinc/62/13/94/431621394.db2.gz VAUURMNLQUMBRY-UHFFFAOYSA-N 2 1 302.340 3.161 20 0 DGADMP OC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCCC1 ZINC000078426512 431670397 /nfs/dbraw/zinc/67/03/97/431670397.db2.gz DXPADWQCHRDUHH-UHFFFAOYSA-N 2 1 316.489 3.326 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000079640322 431736764 /nfs/dbraw/zinc/73/67/64/431736764.db2.gz LGXUOXFYQZGRSP-QGZVFWFLSA-N 2 1 324.472 3.063 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121240986 431758629 /nfs/dbraw/zinc/75/86/29/431758629.db2.gz KKHOMWHONLNPBT-XDNAFOTISA-N 2 1 306.494 3.046 20 0 DGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568283 431796842 /nfs/dbraw/zinc/79/68/42/431796842.db2.gz HLRBIAGXGXMQID-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568283 431796848 /nfs/dbraw/zinc/79/68/48/431796848.db2.gz HLRBIAGXGXMQID-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568283 431796854 /nfs/dbraw/zinc/79/68/54/431796854.db2.gz HLRBIAGXGXMQID-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000081568283 431796860 /nfs/dbraw/zinc/79/68/60/431796860.db2.gz HLRBIAGXGXMQID-HNNXBMFYSA-N 2 1 312.404 3.452 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC000081635113 431799672 /nfs/dbraw/zinc/79/96/72/431799672.db2.gz SGUXXQNFKCEOHI-SFHVURJKSA-N 2 1 302.462 3.119 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000081635113 431799680 /nfs/dbraw/zinc/79/96/80/431799680.db2.gz SGUXXQNFKCEOHI-SFHVURJKSA-N 2 1 302.462 3.119 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000081635113 431799688 /nfs/dbraw/zinc/79/96/88/431799688.db2.gz SGUXXQNFKCEOHI-SFHVURJKSA-N 2 1 302.462 3.119 20 0 DGADMP Brc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408221 431847184 /nfs/dbraw/zinc/84/71/84/431847184.db2.gz INCXSSSWKXYLTE-CYBMUJFWSA-N 2 1 309.251 3.023 20 0 DGADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123416627 431864907 /nfs/dbraw/zinc/86/49/07/431864907.db2.gz LWTBKTWGDLXMHA-ZDUSSCGKSA-N 2 1 306.454 3.062 20 0 DGADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123416809 431865158 /nfs/dbraw/zinc/86/51/58/431865158.db2.gz LWTBKTWGDLXMHA-CYBMUJFWSA-N 2 1 306.454 3.062 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000123507856 431867219 /nfs/dbraw/zinc/86/72/19/431867219.db2.gz GMQKUWVTUHNGTD-ZWKOTPCHSA-N 2 1 306.494 3.331 20 0 DGADMP COc1cc(CN(C)CC[C@H]2CCC[N@H+]2C)ccc1SC ZINC000125042138 431912103 /nfs/dbraw/zinc/91/21/03/431912103.db2.gz KJVXQDQTNSUEOL-OAHLLOKOSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)ccc1SC ZINC000125042138 431912106 /nfs/dbraw/zinc/91/21/06/431912106.db2.gz KJVXQDQTNSUEOL-OAHLLOKOSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)ccc1SC ZINC000125042138 431912107 /nfs/dbraw/zinc/91/21/07/431912107.db2.gz KJVXQDQTNSUEOL-OAHLLOKOSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)ccc1SC ZINC000125042138 431912109 /nfs/dbraw/zinc/91/21/09/431912109.db2.gz KJVXQDQTNSUEOL-OAHLLOKOSA-N 2 1 308.491 3.333 20 0 DGADMP COc1cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)ccc1SC ZINC000125042138 431912110 /nfs/dbraw/zinc/91/21/10/431912110.db2.gz KJVXQDQTNSUEOL-OAHLLOKOSA-N 2 1 308.491 3.333 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125127637 431914417 /nfs/dbraw/zinc/91/44/17/431914417.db2.gz LYGOGOSJEFQBIK-PMACEKPBSA-N 2 1 316.489 3.194 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125127637 431914419 /nfs/dbraw/zinc/91/44/19/431914419.db2.gz LYGOGOSJEFQBIK-PMACEKPBSA-N 2 1 316.489 3.194 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125127637 431914421 /nfs/dbraw/zinc/91/44/21/431914421.db2.gz LYGOGOSJEFQBIK-PMACEKPBSA-N 2 1 316.489 3.194 20 0 DGADMP CCN1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000125241298 431918347 /nfs/dbraw/zinc/91/83/47/431918347.db2.gz NLHRHXDFACKMPV-UHFFFAOYSA-N 2 1 316.424 3.132 20 0 DGADMP CC[NH+]1CCC(N(C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000125241298 431918349 /nfs/dbraw/zinc/91/83/49/431918349.db2.gz NLHRHXDFACKMPV-UHFFFAOYSA-N 2 1 316.424 3.132 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCCCOC)c2)CC1 ZINC000125289951 431920475 /nfs/dbraw/zinc/92/04/75/431920475.db2.gz DZNMSIHWMHNPQD-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCCCOC)c2)CC1 ZINC000125289951 431920478 /nfs/dbraw/zinc/92/04/78/431920478.db2.gz DZNMSIHWMHNPQD-UHFFFAOYSA-N 2 1 320.477 3.018 20 0 DGADMP Cc1nccn1CCCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000125417490 431924899 /nfs/dbraw/zinc/92/48/99/431924899.db2.gz UMUMWIMZEPYNEU-UHFFFAOYSA-N 2 1 305.397 3.122 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000125417490 431924902 /nfs/dbraw/zinc/92/49/02/431924902.db2.gz UMUMWIMZEPYNEU-UHFFFAOYSA-N 2 1 305.397 3.122 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000125417490 431924904 /nfs/dbraw/zinc/92/49/04/431924904.db2.gz UMUMWIMZEPYNEU-UHFFFAOYSA-N 2 1 305.397 3.122 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccs1 ZINC000124408089 431892482 /nfs/dbraw/zinc/89/24/82/431892482.db2.gz VNPMQICFLCGJIP-INIZCTEOSA-N 2 1 309.523 3.062 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCO2 ZINC000124387675 431893089 /nfs/dbraw/zinc/89/30/89/431893089.db2.gz UTCZOPWLXFYREE-KSSFIOAISA-N 2 1 300.446 3.147 20 0 DGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000124456834 431894320 /nfs/dbraw/zinc/89/43/20/431894320.db2.gz KCRAZUKEGXIOQA-HNNXBMFYSA-N 2 1 323.912 3.264 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000098143754 431979434 /nfs/dbraw/zinc/97/94/34/431979434.db2.gz XUQCSGCEHGKTLK-WMLDXEAASA-N 2 1 310.869 3.083 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125616825 431931947 /nfs/dbraw/zinc/93/19/47/431931947.db2.gz NNGSEMDVHRKLCT-LFEHRJTNSA-N 2 1 319.468 3.113 20 0 DGADMP Cc1csc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000126193057 431944654 /nfs/dbraw/zinc/94/46/54/431944654.db2.gz QIPFTOLEWYMXCQ-AWEZNQCLSA-N 2 1 319.474 3.243 20 0 DGADMP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126434196 431949780 /nfs/dbraw/zinc/94/97/80/431949780.db2.gz XFANIYKBEOXFMS-KRWDZBQOSA-N 2 1 303.494 3.014 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000052209850 431954266 /nfs/dbraw/zinc/95/42/66/431954266.db2.gz QCYSNEUGUIAOSN-UHFFFAOYSA-N 2 1 317.477 3.069 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000052209850 431954268 /nfs/dbraw/zinc/95/42/68/431954268.db2.gz QCYSNEUGUIAOSN-UHFFFAOYSA-N 2 1 317.477 3.069 20 0 DGADMP CC[C@H]1C[NH+](CC(C)C[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000464788608 288283532 /nfs/dbraw/zinc/28/35/32/288283532.db2.gz KVCAGZKRXLNMFW-HOTGVXAUSA-N 2 1 316.580 3.277 20 0 DGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000127855106 431982041 /nfs/dbraw/zinc/98/20/41/431982041.db2.gz HVYRQKPOKHOLAZ-UHFFFAOYSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152403214 281079681 /nfs/dbraw/zinc/07/96/81/281079681.db2.gz RAPDFWJRVHEWGP-MAUKXSAKSA-N 2 1 300.446 3.283 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)s1 ZINC000128261324 431990372 /nfs/dbraw/zinc/99/03/72/431990372.db2.gz DFZGTQWELBVWEH-OAHLLOKOSA-N 2 1 309.523 3.043 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)s1 ZINC000128261535 431990711 /nfs/dbraw/zinc/99/07/11/431990711.db2.gz DFZGTQWELBVWEH-HNNXBMFYSA-N 2 1 309.523 3.043 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000248125288 432269761 /nfs/dbraw/zinc/26/97/61/432269761.db2.gz NWCRESIBDDYXJK-JJRVBVJISA-N 2 1 318.490 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000248125288 432269765 /nfs/dbraw/zinc/26/97/65/432269765.db2.gz NWCRESIBDDYXJK-JJRVBVJISA-N 2 1 318.490 3.215 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000270700775 432279302 /nfs/dbraw/zinc/27/93/02/432279302.db2.gz XUWIGOAUYIHUNA-UHFFFAOYSA-N 2 1 317.408 3.016 20 0 DGADMP CCC(O)(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248410737 432287717 /nfs/dbraw/zinc/28/77/17/432287717.db2.gz HLMCPPYGOPIORG-GUDVDZBRSA-N 2 1 316.489 3.038 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248435083 432290256 /nfs/dbraw/zinc/29/02/56/432290256.db2.gz FKZHFOUPZODMCO-NHCUHLMSSA-N 2 1 324.468 3.494 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000270916784 432302697 /nfs/dbraw/zinc/30/26/97/432302697.db2.gz UOMKFEPEZHJYTK-UHFFFAOYSA-N 2 1 313.323 3.222 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000270916784 432302700 /nfs/dbraw/zinc/30/27/00/432302700.db2.gz UOMKFEPEZHJYTK-UHFFFAOYSA-N 2 1 313.323 3.222 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc(C)c1F ZINC000128688084 431998812 /nfs/dbraw/zinc/99/88/12/431998812.db2.gz XLQAEQBRZBJURV-QGZVFWFLSA-N 2 1 321.484 3.121 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000270586973 432261470 /nfs/dbraw/zinc/26/14/70/432261470.db2.gz DKWBAXPGEFVVOY-LJQANCHMSA-N 2 1 306.413 3.356 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419640 432263505 /nfs/dbraw/zinc/26/35/05/432263505.db2.gz UDFBIOOLFKRBFJ-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419640 432263507 /nfs/dbraw/zinc/26/35/07/432263507.db2.gz UDFBIOOLFKRBFJ-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419640 432263511 /nfs/dbraw/zinc/26/35/11/432263511.db2.gz UDFBIOOLFKRBFJ-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419640 432263514 /nfs/dbraw/zinc/26/35/14/432263514.db2.gz UDFBIOOLFKRBFJ-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191419640 432263517 /nfs/dbraw/zinc/26/35/17/432263517.db2.gz UDFBIOOLFKRBFJ-SFHVURJKSA-N 2 1 302.462 3.249 20 0 DGADMP c1cn(CCC[N@H+](Cc2ccccc2)CC2CCOCC2)cn1 ZINC000183177410 432265223 /nfs/dbraw/zinc/26/52/23/432265223.db2.gz GUVSPQKYYKYGMJ-UHFFFAOYSA-N 2 1 313.445 3.202 20 0 DGADMP C[NH+](C)C1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CCOCC1 ZINC000183709265 432318435 /nfs/dbraw/zinc/31/84/35/432318435.db2.gz SHPNJJRUPAWJSD-UHFFFAOYSA-N 2 1 322.415 3.056 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000248832872 432321592 /nfs/dbraw/zinc/32/15/92/432321592.db2.gz FTKGZQVPTSTCCH-AIANPOQGSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000248832872 432321596 /nfs/dbraw/zinc/32/15/96/432321596.db2.gz FTKGZQVPTSTCCH-AIANPOQGSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248832888 432321955 /nfs/dbraw/zinc/32/19/55/432321955.db2.gz FTKGZQVPTSTCCH-WBTNSWJXSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248832888 432321960 /nfs/dbraw/zinc/32/19/60/432321960.db2.gz FTKGZQVPTSTCCH-WBTNSWJXSA-N 2 1 308.491 3.146 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000248828197 432322170 /nfs/dbraw/zinc/32/21/70/432322170.db2.gz DJYIVTMBLHJZBH-MDZRGWNJSA-N 2 1 302.462 3.227 20 0 DGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152364240 432327211 /nfs/dbraw/zinc/32/72/11/432327211.db2.gz RXDPIGKWOSJVOZ-WBMJQRKESA-N 2 1 306.450 3.437 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192043803 432328091 /nfs/dbraw/zinc/32/80/91/432328091.db2.gz RWLFVVFZGIDDDQ-SJORKVTESA-N 2 1 310.869 3.492 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCCn2cc(C)cn2)C1 ZINC000174227000 432330879 /nfs/dbraw/zinc/33/08/79/432330879.db2.gz OJEYFRBQLRNYNV-SFHVURJKSA-N 2 1 306.498 3.026 20 0 DGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000248990784 432332426 /nfs/dbraw/zinc/33/24/26/432332426.db2.gz NFZZKCZUEGEYIQ-RTBURBONSA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000248990784 432332429 /nfs/dbraw/zinc/33/24/29/432332429.db2.gz NFZZKCZUEGEYIQ-RTBURBONSA-N 2 1 300.446 3.133 20 0 DGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000248990784 432332432 /nfs/dbraw/zinc/33/24/32/432332432.db2.gz NFZZKCZUEGEYIQ-RTBURBONSA-N 2 1 300.446 3.133 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000152457547 432333749 /nfs/dbraw/zinc/33/37/49/432333749.db2.gz YRMDHZAMABMBPZ-KBPBESRZSA-N 2 1 305.441 3.027 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCOC[C@H]3C)cc2)C1 ZINC000249085303 432338461 /nfs/dbraw/zinc/33/84/61/432338461.db2.gz IPOJLJJWLBTSEX-HLIPFELVSA-N 2 1 316.489 3.433 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000249111569 432340113 /nfs/dbraw/zinc/34/01/13/432340113.db2.gz VXQQBYOBPWZSBY-HZPDHXFCSA-N 2 1 310.507 3.368 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000249111569 432340116 /nfs/dbraw/zinc/34/01/16/432340116.db2.gz VXQQBYOBPWZSBY-HZPDHXFCSA-N 2 1 310.507 3.368 20 0 DGADMP CC[C@@H]1C[NH+](CCC[N@@H+]2CCS[C@H](CC)C2)CCS1 ZINC000173931832 432307872 /nfs/dbraw/zinc/30/78/72/432307872.db2.gz SLPKSNFILBDCCV-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP CC[C@@H]1C[NH+](CCC[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000173931832 432307878 /nfs/dbraw/zinc/30/78/78/432307878.db2.gz SLPKSNFILBDCCV-HUUCEWRRSA-N 2 1 302.553 3.031 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191860651 432310121 /nfs/dbraw/zinc/31/01/21/432310121.db2.gz LWOGLCGZTSAUGU-FDMITFGQSA-N 2 1 302.462 3.083 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(C)c2)[C@H](C)C1 ZINC000248730879 432313890 /nfs/dbraw/zinc/31/38/90/432313890.db2.gz OMKQETKNLKQJAM-LMMKCTJWSA-N 2 1 319.493 3.178 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(C)c2)[C@H](C)C1 ZINC000248730879 432313896 /nfs/dbraw/zinc/31/38/96/432313896.db2.gz OMKQETKNLKQJAM-LMMKCTJWSA-N 2 1 319.493 3.178 20 0 DGADMP CCc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000252696079 432386342 /nfs/dbraw/zinc/38/63/42/432386342.db2.gz LTCQVCOIJVLDHG-LPHOPBHVSA-N 2 1 304.478 3.137 20 0 DGADMP C[C@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153255655 432395258 /nfs/dbraw/zinc/39/52/58/432395258.db2.gz XTHOTLZLBLPKCV-XLIONFOSSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153255769 432395610 /nfs/dbraw/zinc/39/56/10/432395610.db2.gz XTHOTLZLBLPKCV-FXAWDEMLSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350576 432403401 /nfs/dbraw/zinc/40/34/01/432403401.db2.gz BJRDHHGTPIEGKR-RVKKMQEKSA-N 2 1 317.477 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153350576 432403403 /nfs/dbraw/zinc/40/34/03/432403403.db2.gz BJRDHHGTPIEGKR-RVKKMQEKSA-N 2 1 317.477 3.221 20 0 DGADMP CC[NH+](C/C=C\C[N@H+](CC)Cc1ccccn1)Cc1ccccn1 ZINC000254998422 432406456 /nfs/dbraw/zinc/40/64/56/432406456.db2.gz FFRAHMXVHXUASC-KTKRTIGZSA-N 2 1 324.472 3.377 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1[NH3+] ZINC000261549003 432430613 /nfs/dbraw/zinc/43/06/13/432430613.db2.gz OERVKJPPFFEQSP-VQIMIIECSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1[NH3+] ZINC000261549003 432430617 /nfs/dbraw/zinc/43/06/17/432430617.db2.gz OERVKJPPFFEQSP-VQIMIIECSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000261550155 432431058 /nfs/dbraw/zinc/43/10/58/432431058.db2.gz PJIUCFUHHILFNN-JXFKEZNVSA-N 2 1 310.441 3.435 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261625187 432434681 /nfs/dbraw/zinc/43/46/81/432434681.db2.gz AOLDIKWBQVWGTA-ZKYQVNSYSA-N 2 1 315.244 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261625187 432434683 /nfs/dbraw/zinc/43/46/83/432434683.db2.gz AOLDIKWBQVWGTA-ZKYQVNSYSA-N 2 1 315.244 3.041 20 0 DGADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@@H]1CCOC1 ZINC000153723922 432435374 /nfs/dbraw/zinc/43/53/74/432435374.db2.gz OQNAEVFDFGJFCA-NVXWUHKLSA-N 2 1 317.408 3.225 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@H]12 ZINC000261651672 432439393 /nfs/dbraw/zinc/43/93/93/432439393.db2.gz JVPYSXWOIPWYGE-HZUKXOBISA-N 2 1 301.821 3.057 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153815540 432444383 /nfs/dbraw/zinc/44/43/83/432444383.db2.gz RYGPVIJQBMGFPV-XGXHKWSGSA-N 2 1 302.462 3.084 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000261768551 432449244 /nfs/dbraw/zinc/44/92/44/432449244.db2.gz DNNVFMGHDIYBPK-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CCC[NH2+]CC1 ZINC000261801910 432451332 /nfs/dbraw/zinc/45/13/32/432451332.db2.gz GYQSCMFTIODCNG-HNNXBMFYSA-N 2 1 318.490 3.113 20 0 DGADMP C[C@H](NCc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148386 432451792 /nfs/dbraw/zinc/45/17/92/432451792.db2.gz CVDBGGDUFSXSNE-HOCLYGCPSA-N 2 1 301.459 3.143 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193139127 432454169 /nfs/dbraw/zinc/45/41/69/432454169.db2.gz ATZPLOMSZBXUJY-QWHCGFSZSA-N 2 1 305.447 3.366 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000193160929 432455255 /nfs/dbraw/zinc/45/52/55/432455255.db2.gz XCDBOZJTDPQDTC-MLGOLLRUSA-N 2 1 323.278 3.368 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1c1ccccc1 ZINC000261890707 432457962 /nfs/dbraw/zinc/45/79/62/432457962.db2.gz ZQOUIOORVVECFP-MJGOQNOKSA-N 2 1 312.482 3.453 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000271525713 432414396 /nfs/dbraw/zinc/41/43/96/432414396.db2.gz REAKYSOEYKUDKZ-IEBWSBKVSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785184 432415029 /nfs/dbraw/zinc/41/50/29/432415029.db2.gz YGPRYKLSWQBLOO-LSDHHAIUSA-N 2 1 318.490 3.044 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccnn1C ZINC000192785184 432415034 /nfs/dbraw/zinc/41/50/34/432415034.db2.gz YGPRYKLSWQBLOO-LSDHHAIUSA-N 2 1 318.490 3.044 20 0 DGADMP C[N@H+](C[C@H]1CCC(C)(C)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000184660418 432417896 /nfs/dbraw/zinc/41/78/96/432417896.db2.gz IIBBOYZLVVDJME-RBUKOAKNSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000153621362 432426418 /nfs/dbraw/zinc/42/64/18/432426418.db2.gz FSUXTVSOEDFJQP-PKOBYXMFSA-N 2 1 315.505 3.161 20 0 DGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000272296241 432478724 /nfs/dbraw/zinc/47/87/24/432478724.db2.gz GCHYXDBJFNWHDD-UHFFFAOYSA-N 2 1 304.356 3.011 20 0 DGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000272296241 432478730 /nfs/dbraw/zinc/47/87/30/432478730.db2.gz GCHYXDBJFNWHDD-UHFFFAOYSA-N 2 1 304.356 3.011 20 0 DGADMP CCOC1CC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272308579 432479558 /nfs/dbraw/zinc/47/95/58/432479558.db2.gz IFZJKQNYODKQND-SVUBNXHSSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000262416951 432483985 /nfs/dbraw/zinc/48/39/85/432483985.db2.gz DRWFPQWTYBDAJK-AWEZNQCLSA-N 2 1 324.852 3.075 20 0 DGADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000272352589 432487386 /nfs/dbraw/zinc/48/73/86/432487386.db2.gz QTTHHIUZTWUCEE-QRQLOZEOSA-N 2 1 304.478 3.158 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262495027 432487435 /nfs/dbraw/zinc/48/74/35/432487435.db2.gz LGUCJALLJFJCLM-OSAQELSMSA-N 2 1 314.351 3.330 20 0 DGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262495027 432487440 /nfs/dbraw/zinc/48/74/40/432487440.db2.gz LGUCJALLJFJCLM-OSAQELSMSA-N 2 1 314.351 3.330 20 0 DGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000154435352 432497880 /nfs/dbraw/zinc/49/78/80/432497880.db2.gz GWAUMZYMDAEWPB-INIZCTEOSA-N 2 1 315.461 3.111 20 0 DGADMP COCCCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272455701 432506520 /nfs/dbraw/zinc/50/65/20/432506520.db2.gz JWSXWXCRGVYSPO-PKOBYXMFSA-N 2 1 304.478 3.303 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000261907809 432460313 /nfs/dbraw/zinc/46/03/13/432460313.db2.gz PUFGMWWRHITZLF-RYQLBKOJSA-N 2 1 311.429 3.209 20 0 DGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000261907809 432460317 /nfs/dbraw/zinc/46/03/17/432460317.db2.gz PUFGMWWRHITZLF-RYQLBKOJSA-N 2 1 311.429 3.209 20 0 DGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261949466 432463600 /nfs/dbraw/zinc/46/36/00/432463600.db2.gz WCTUGTIBJHMWAS-VQIMIIECSA-N 2 1 315.505 3.025 20 0 DGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000261989803 432468432 /nfs/dbraw/zinc/46/84/32/432468432.db2.gz SXXLOVGQBPYFGF-CYBMUJFWSA-N 2 1 324.852 3.062 20 0 DGADMP c1ccc(CSCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000262034354 432470769 /nfs/dbraw/zinc/47/07/69/432470769.db2.gz XNVYYLHQYCRLNR-UHFFFAOYSA-N 2 1 304.503 3.384 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1C ZINC000273097177 432550425 /nfs/dbraw/zinc/55/04/25/432550425.db2.gz TXBVQJNWKORXFU-DZGCQCFKSA-N 2 1 301.434 3.495 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOC(F)F)cc1 ZINC000194030117 432518814 /nfs/dbraw/zinc/51/88/14/432518814.db2.gz RIUZOJQWHCWGOG-LBPRGKRZSA-N 2 1 309.360 3.461 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(Cl)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739478 432529174 /nfs/dbraw/zinc/52/91/74/432529174.db2.gz GWMHCYQTXHDWSV-UONOGXRCSA-N 2 1 307.869 3.478 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(Cl)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739478 432529176 /nfs/dbraw/zinc/52/91/76/432529176.db2.gz GWMHCYQTXHDWSV-UONOGXRCSA-N 2 1 307.869 3.478 20 0 DGADMP CCC(O)(CC)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272594691 432529329 /nfs/dbraw/zinc/52/93/29/432529329.db2.gz XRLNTXMFCKZQAH-AEFFLSMTSA-N 2 1 304.478 3.038 20 0 DGADMP COc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000155206488 432543640 /nfs/dbraw/zinc/54/36/40/432543640.db2.gz CGNYMWWRZOLANW-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273501769 432605181 /nfs/dbraw/zinc/60/51/81/432605181.db2.gz YWZLNKYDPVDGTL-ZWKOTPCHSA-N 2 1 306.425 3.120 20 0 DGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000195135536 432606713 /nfs/dbraw/zinc/60/67/13/432606713.db2.gz QDJZXYDBFROAMX-IPMKNSEASA-N 2 1 316.489 3.302 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CC3)CC2)cs1 ZINC000177324432 432612248 /nfs/dbraw/zinc/61/22/48/432612248.db2.gz PQKNSXXDHVRUAL-CYBMUJFWSA-N 2 1 307.507 3.306 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186412181 432592728 /nfs/dbraw/zinc/59/27/28/432592728.db2.gz PTMVYZYZIDEHDN-QWQRMKEZSA-N 2 1 317.452 3.178 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+](C)C3)oc21 ZINC000194989164 432592910 /nfs/dbraw/zinc/59/29/10/432592910.db2.gz IHRPDZOYECAYDD-ZIAGYGMSSA-N 2 1 302.418 3.434 20 0 DGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](C)C3)oc21 ZINC000194989164 432592914 /nfs/dbraw/zinc/59/29/14/432592914.db2.gz IHRPDZOYECAYDD-ZIAGYGMSSA-N 2 1 302.418 3.434 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000156312509 432595384 /nfs/dbraw/zinc/59/53/84/432595384.db2.gz YICJOHJJFTVLKJ-JKSUJKDBSA-N 2 1 311.473 3.265 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273419974 432596659 /nfs/dbraw/zinc/59/66/59/432596659.db2.gz RPYOMOVHCGGIOW-SXLOBPIMSA-N 2 1 316.489 3.446 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000156496002 432599150 /nfs/dbraw/zinc/59/91/50/432599150.db2.gz REIXJTZGZQLIBD-YPMHNXCESA-N 2 1 316.367 3.286 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000156496002 432599155 /nfs/dbraw/zinc/59/91/55/432599155.db2.gz REIXJTZGZQLIBD-YPMHNXCESA-N 2 1 316.367 3.286 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000157696368 432627332 /nfs/dbraw/zinc/62/73/32/432627332.db2.gz VFGNTYHFDRAJRQ-KRWDZBQOSA-N 2 1 315.505 3.449 20 0 DGADMP CC(C)Oc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158770987 432656864 /nfs/dbraw/zinc/65/68/64/432656864.db2.gz GWLVUDMMQZSEOM-MJGOQNOKSA-N 2 1 302.462 3.390 20 0 DGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158859589 432660241 /nfs/dbraw/zinc/66/02/41/432660241.db2.gz VKQOHGQMRMZATL-IEBWSBKVSA-N 2 1 304.478 3.047 20 0 DGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(Cl)c1OC ZINC000264564657 432660305 /nfs/dbraw/zinc/66/03/05/432660305.db2.gz VPTSWIMSXUEWMK-UHFFFAOYSA-N 2 1 323.824 3.042 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000177815692 432664347 /nfs/dbraw/zinc/66/43/47/432664347.db2.gz WNBSMAMZGDXXSS-WBVHZDCISA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059695 432666224 /nfs/dbraw/zinc/66/62/24/432666224.db2.gz MWVHGJQEAFIXTK-LSDHHAIUSA-N 2 1 313.449 3.049 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000265059695 432666228 /nfs/dbraw/zinc/66/62/28/432666228.db2.gz MWVHGJQEAFIXTK-LSDHHAIUSA-N 2 1 313.449 3.049 20 0 DGADMP C[C@@H]([NH2+]CCc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740470 432702976 /nfs/dbraw/zinc/70/29/76/432702976.db2.gz AALJIHYMYYQWLY-XLIONFOSSA-N 2 1 309.457 3.124 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)CC[N@H+]1C ZINC000178187797 432704074 /nfs/dbraw/zinc/70/40/74/432704074.db2.gz ZSGOQCOMNJAZLA-ZQIUZPCESA-N 2 1 309.885 3.015 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000274758516 432704957 /nfs/dbraw/zinc/70/49/57/432704957.db2.gz DCPJCSIGDIZEPE-GBESFXJTSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000226435364 432706502 /nfs/dbraw/zinc/70/65/02/432706502.db2.gz UTIHDKHSKNBAIG-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000226435364 432706506 /nfs/dbraw/zinc/70/65/06/432706506.db2.gz UTIHDKHSKNBAIG-GFCCVEGCSA-N 2 1 302.340 3.017 20 0 DGADMP CC(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000188352436 432719662 /nfs/dbraw/zinc/71/96/62/432719662.db2.gz ZCTDVRNHXRUEBF-SFHVURJKSA-N 2 1 304.478 3.169 20 0 DGADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000265659442 432720317 /nfs/dbraw/zinc/72/03/17/432720317.db2.gz RBVACKOAOILIPS-OAHLLOKOSA-N 2 1 303.475 3.088 20 0 DGADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159171064 432672922 /nfs/dbraw/zinc/67/29/22/432672922.db2.gz GEAYBUNQWNVUDM-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP CC(C)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159171064 432672924 /nfs/dbraw/zinc/67/29/24/432672924.db2.gz GEAYBUNQWNVUDM-WOJBJXKFSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCC1 ZINC000177924065 432674504 /nfs/dbraw/zinc/67/45/04/432674504.db2.gz GZVCNTOYGMSASV-YLJYHZDGSA-N 2 1 315.505 3.143 20 0 DGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)[C@H](C)C1 ZINC000177940005 432675567 /nfs/dbraw/zinc/67/55/67/432675567.db2.gz ZEUCLKCISIBTNO-BPQIPLTHSA-N 2 1 320.477 3.384 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)[C@H](C)C1 ZINC000177940005 432675570 /nfs/dbraw/zinc/67/55/70/432675570.db2.gz ZEUCLKCISIBTNO-BPQIPLTHSA-N 2 1 320.477 3.384 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000275784973 432748891 /nfs/dbraw/zinc/74/88/91/432748891.db2.gz WKURUJFFHJQBLF-QRQLOZEOSA-N 2 1 300.446 3.179 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCC1 ZINC000178616228 432758788 /nfs/dbraw/zinc/75/87/88/432758788.db2.gz LDEYETRVPIXERN-CVEARBPZSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCC1 ZINC000178616228 432758792 /nfs/dbraw/zinc/75/87/92/432758792.db2.gz LDEYETRVPIXERN-CVEARBPZSA-N 2 1 302.462 3.186 20 0 DGADMP COCCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000178625693 432760179 /nfs/dbraw/zinc/76/01/79/432760179.db2.gz JFFSIORPSWCCQV-CYBMUJFWSA-N 2 1 305.397 3.225 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231463630 432732380 /nfs/dbraw/zinc/73/23/80/432732380.db2.gz KOYNTONCASZZSW-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231463630 432732382 /nfs/dbraw/zinc/73/23/82/432732382.db2.gz KOYNTONCASZZSW-CYBMUJFWSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@@H+](CCOc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000234263258 432738912 /nfs/dbraw/zinc/73/89/12/432738912.db2.gz QGHVHKPTGHVQBH-ZDUSSCGKSA-N 2 1 317.260 3.446 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429554024 533692124 /nfs/dbraw/zinc/69/21/24/533692124.db2.gz RFZYYBACPUNJCA-SFHVURJKSA-N 2 1 304.478 3.488 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000178472602 432740620 /nfs/dbraw/zinc/74/06/20/432740620.db2.gz MZLHOHJNJALGEF-JMSVASOKSA-N 2 1 316.367 3.404 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000235379610 432743049 /nfs/dbraw/zinc/74/30/49/432743049.db2.gz YTTQYGGZUDLSFJ-OCCSQVGLSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000235697582 432745129 /nfs/dbraw/zinc/74/51/29/432745129.db2.gz CEBCBAILGBIBCV-JSGCOSHPSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000276609824 432823472 /nfs/dbraw/zinc/82/34/72/432823472.db2.gz HECJRAJNIWMLJS-CYBMUJFWSA-N 2 1 323.278 3.232 20 0 DGADMP C[N@H+]1CCC[C@@H](CNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162575272 432826865 /nfs/dbraw/zinc/82/68/65/432826865.db2.gz KMLFGNKYNBOHKJ-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162575272 432826873 /nfs/dbraw/zinc/82/68/73/432826873.db2.gz KMLFGNKYNBOHKJ-LBPRGKRZSA-N 2 1 304.331 3.276 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000162638859 432829585 /nfs/dbraw/zinc/82/95/85/432829585.db2.gz LEBGKNZESAWLJT-UHFFFAOYSA-N 2 1 305.466 3.110 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000161592735 432787306 /nfs/dbraw/zinc/78/73/06/432787306.db2.gz WAYQUDFCTCDDQX-GOSISDBHSA-N 2 1 318.461 3.373 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161638028 432789392 /nfs/dbraw/zinc/78/93/92/432789392.db2.gz FWHMECXXXHDQCO-LSTHTHJFSA-N 2 1 324.472 3.209 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161638028 432789398 /nfs/dbraw/zinc/78/93/98/432789398.db2.gz FWHMECXXXHDQCO-LSTHTHJFSA-N 2 1 324.472 3.209 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161637892 432790588 /nfs/dbraw/zinc/79/05/88/432790588.db2.gz FWHMECXXXHDQCO-FFZOFVMBSA-N 2 1 324.472 3.209 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000161637892 432790591 /nfs/dbraw/zinc/79/05/91/432790591.db2.gz FWHMECXXXHDQCO-FFZOFVMBSA-N 2 1 324.472 3.209 20 0 DGADMP CC(C)(C)OC(=O)CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178960173 432792473 /nfs/dbraw/zinc/79/24/73/432792473.db2.gz NCVNYWJNIFLLQU-JKSUJKDBSA-N 2 1 310.482 3.105 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000161712612 432792550 /nfs/dbraw/zinc/79/25/50/432792550.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161712612 432792554 /nfs/dbraw/zinc/79/25/54/432792554.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000161712612 432792558 /nfs/dbraw/zinc/79/25/58/432792558.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000161712612 432792561 /nfs/dbraw/zinc/79/25/61/432792561.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000161712612 432792566 /nfs/dbraw/zinc/79/25/66/432792566.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000161712612 432792571 /nfs/dbraw/zinc/79/25/71/432792571.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000161712612 432792576 /nfs/dbraw/zinc/79/25/76/432792576.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161712612 432792579 /nfs/dbraw/zinc/79/25/79/432792579.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000161712612 432792585 /nfs/dbraw/zinc/79/25/85/432792585.db2.gz HEDUSSCSEUPDRE-VQIMIIECSA-N 2 1 303.494 3.099 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCc2ccccn2)C3)cc1 ZINC000245786300 432863052 /nfs/dbraw/zinc/86/30/52/432863052.db2.gz ZPTQAHOSTXLMIR-MZADTFQBSA-N 2 1 321.468 3.409 20 0 DGADMP Cc1cc[nH+]c(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000268332869 432864509 /nfs/dbraw/zinc/86/45/09/432864509.db2.gz QEVDFFADWGZCIS-IAGOWNOFSA-N 2 1 317.477 3.106 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000245913988 432869362 /nfs/dbraw/zinc/86/93/62/432869362.db2.gz PRKZWOYGFBAXHA-TVFCKZIOSA-N 2 1 308.510 3.290 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000246051607 432875477 /nfs/dbraw/zinc/87/54/77/432875477.db2.gz CLEXNYNFMDEJEM-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000246051607 432875479 /nfs/dbraw/zinc/87/54/79/432875479.db2.gz CLEXNYNFMDEJEM-RDJZCZTQSA-N 2 1 320.477 3.446 20 0 DGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)nc1 ZINC000296310808 432894978 /nfs/dbraw/zinc/89/49/78/432894978.db2.gz GHOBETRPVZTEQP-NDNKKMJESA-N 2 1 324.266 3.120 20 0 DGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)nc1 ZINC000296310808 432894982 /nfs/dbraw/zinc/89/49/82/432894982.db2.gz GHOBETRPVZTEQP-NDNKKMJESA-N 2 1 324.266 3.120 20 0 DGADMP CSc1ccc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277378679 432843211 /nfs/dbraw/zinc/84/32/11/432843211.db2.gz YCEOVTWTSNJVKQ-HNNXBMFYSA-N 2 1 308.491 3.203 20 0 DGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277378679 432843213 /nfs/dbraw/zinc/84/32/13/432843213.db2.gz YCEOVTWTSNJVKQ-HNNXBMFYSA-N 2 1 308.491 3.203 20 0 DGADMP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000277425472 432848789 /nfs/dbraw/zinc/84/87/89/432848789.db2.gz JGIJOXGWZUKYTN-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CCOc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000277425472 432848792 /nfs/dbraw/zinc/84/87/92/432848792.db2.gz JGIJOXGWZUKYTN-INIZCTEOSA-N 2 1 306.450 3.010 20 0 DGADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1N1CCCC1 ZINC000163306100 432849653 /nfs/dbraw/zinc/84/96/53/432849653.db2.gz BALMXIRLBKUMGL-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1N1CCCC1 ZINC000163306100 432849655 /nfs/dbraw/zinc/84/96/55/432849655.db2.gz BALMXIRLBKUMGL-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1N1CCCC1 ZINC000163306100 432849658 /nfs/dbraw/zinc/84/96/58/432849658.db2.gz BALMXIRLBKUMGL-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1N1CCCC1 ZINC000163306100 432849659 /nfs/dbraw/zinc/84/96/59/432849659.db2.gz BALMXIRLBKUMGL-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1N1CCCC1 ZINC000163306100 432849662 /nfs/dbraw/zinc/84/96/62/432849662.db2.gz BALMXIRLBKUMGL-SFHVURJKSA-N 2 1 301.478 3.203 20 0 DGADMP CC(C)(CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245654319 432852643 /nfs/dbraw/zinc/85/26/43/432852643.db2.gz DETUMATYGUFGMQ-REPLKXPHSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2ccccc2n1 ZINC000279035077 432928238 /nfs/dbraw/zinc/92/82/38/432928238.db2.gz WNIUDPBIBSAECL-HUUCEWRRSA-N 2 1 306.413 3.345 20 0 DGADMP Cc1ccncc1CCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000289228451 432935441 /nfs/dbraw/zinc/93/54/41/432935441.db2.gz YJHKDGIJPQLUCA-QGZVFWFLSA-N 2 1 312.413 3.094 20 0 DGADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000289259122 432939396 /nfs/dbraw/zinc/93/93/96/432939396.db2.gz MKZLIKGGSGNEOV-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000289259122 432939397 /nfs/dbraw/zinc/93/93/97/432939397.db2.gz MKZLIKGGSGNEOV-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289259122 432939400 /nfs/dbraw/zinc/93/94/00/432939400.db2.gz MKZLIKGGSGNEOV-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289259122 432939402 /nfs/dbraw/zinc/93/94/02/432939402.db2.gz MKZLIKGGSGNEOV-UYAOXDASSA-N 2 1 313.489 3.271 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278845608 432908234 /nfs/dbraw/zinc/90/82/34/432908234.db2.gz QABMMUPWMOAIPS-OJAHFUOMSA-N 2 1 316.489 3.038 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278899877 432914001 /nfs/dbraw/zinc/91/40/01/432914001.db2.gz FQSBWDKFIFTGDG-WBMJQRKESA-N 2 1 301.821 3.376 20 0 DGADMP Cc1ccncc1CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000289088070 432920531 /nfs/dbraw/zinc/92/05/31/432920531.db2.gz LBKGGWUPYGIMQM-UHFFFAOYSA-N 2 1 301.478 3.273 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278965306 432921823 /nfs/dbraw/zinc/92/18/23/432921823.db2.gz MWKJKLOPBLXZLJ-JKSUJKDBSA-N 2 1 313.445 3.422 20 0 DGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCn1cc[nH+]c1C ZINC000290080939 432990132 /nfs/dbraw/zinc/99/01/32/432990132.db2.gz YXGFRICKWFOBEC-ACCUITESSA-N 2 1 321.371 3.486 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(OC)c1C ZINC000349418593 432959384 /nfs/dbraw/zinc/95/93/84/432959384.db2.gz OGZLGSMSIXSIHD-UHFFFAOYSA-N 2 1 320.477 3.320 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(OC)c1C ZINC000349418593 432959386 /nfs/dbraw/zinc/95/93/86/432959386.db2.gz OGZLGSMSIXSIHD-UHFFFAOYSA-N 2 1 320.477 3.320 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CO)CCCC1 ZINC000349853128 433021196 /nfs/dbraw/zinc/02/11/96/433021196.db2.gz LJQNFKBPPAVXQO-UHFFFAOYSA-N 2 1 318.505 3.287 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297824878 433021755 /nfs/dbraw/zinc/02/17/55/433021755.db2.gz ZDXCZFSHCJRGGK-HNNXBMFYSA-N 2 1 302.462 3.090 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc2ccc(Cl)cn12 ZINC000290297820 433029179 /nfs/dbraw/zinc/02/91/79/433029179.db2.gz AZAQGOQUAXWNEI-UHFFFAOYSA-N 2 1 317.824 3.015 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2ccc(Cl)cn12 ZINC000290297820 433029184 /nfs/dbraw/zinc/02/91/84/433029184.db2.gz AZAQGOQUAXWNEI-UHFFFAOYSA-N 2 1 317.824 3.015 20 0 DGADMP CCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290353180 433035995 /nfs/dbraw/zinc/03/59/95/433035995.db2.gz GFPOKRICVIYXPM-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290353180 433035998 /nfs/dbraw/zinc/03/59/98/433035998.db2.gz GFPOKRICVIYXPM-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000290353180 433036001 /nfs/dbraw/zinc/03/60/01/433036001.db2.gz GFPOKRICVIYXPM-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000290353180 433036003 /nfs/dbraw/zinc/03/60/03/433036003.db2.gz GFPOKRICVIYXPM-WBVHZDCISA-N 2 1 320.477 3.256 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000349937370 433037346 /nfs/dbraw/zinc/03/73/46/433037346.db2.gz SKZSVPHREHFGKF-OOPCZODUSA-N 2 1 305.372 3.409 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361719 433037890 /nfs/dbraw/zinc/03/78/90/433037890.db2.gz GWIQBEOGLMEWLQ-DNVCBOLYSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361719 433037894 /nfs/dbraw/zinc/03/78/94/433037894.db2.gz GWIQBEOGLMEWLQ-DNVCBOLYSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361719 433037899 /nfs/dbraw/zinc/03/78/99/433037899.db2.gz GWIQBEOGLMEWLQ-DNVCBOLYSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290361719 433037903 /nfs/dbraw/zinc/03/79/03/433037903.db2.gz GWIQBEOGLMEWLQ-DNVCBOLYSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417625 433048911 /nfs/dbraw/zinc/04/89/11/433048911.db2.gz KLJHWKSLUTXRDW-WMLDXEAASA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417625 433048913 /nfs/dbraw/zinc/04/89/13/433048913.db2.gz KLJHWKSLUTXRDW-WMLDXEAASA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417625 433048915 /nfs/dbraw/zinc/04/89/15/433048915.db2.gz KLJHWKSLUTXRDW-WMLDXEAASA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290417625 433048917 /nfs/dbraw/zinc/04/89/17/433048917.db2.gz KLJHWKSLUTXRDW-WMLDXEAASA-N 2 1 318.461 3.104 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000280437097 433051505 /nfs/dbraw/zinc/05/15/05/433051505.db2.gz CHPUOQHSKSJYEE-LBPRGKRZSA-N 2 1 311.351 3.431 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456444 433056767 /nfs/dbraw/zinc/05/67/67/433056767.db2.gz MTDYGILGTJIAPW-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456444 433056776 /nfs/dbraw/zinc/05/67/76/433056776.db2.gz MTDYGILGTJIAPW-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456444 433056784 /nfs/dbraw/zinc/05/67/84/433056784.db2.gz MTDYGILGTJIAPW-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccco3)s2)C1 ZINC000290456444 433056792 /nfs/dbraw/zinc/05/67/92/433056792.db2.gz MTDYGILGTJIAPW-ZFWWWQNUSA-N 2 1 317.458 3.319 20 0 DGADMP CCOCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000290450446 433054009 /nfs/dbraw/zinc/05/40/09/433054009.db2.gz VZORHYSZIALIGF-UHFFFAOYSA-N 2 1 318.505 3.346 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)CC1 ZINC000290471214 433060076 /nfs/dbraw/zinc/06/00/76/433060076.db2.gz NNCAWQSVKZZPEZ-LJQANCHMSA-N 2 1 312.457 3.126 20 0 DGADMP CCN(CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1C ZINC000298226739 433061641 /nfs/dbraw/zinc/06/16/41/433061641.db2.gz AYQZOWUBQABDPM-UHFFFAOYSA-N 2 1 301.478 3.038 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)CC3 ZINC000156317974 292727909 /nfs/dbraw/zinc/72/79/09/292727909.db2.gz YLCCCJHJTKKMGU-MGPUTAFESA-N 2 1 311.473 3.263 20 0 DGADMP [NH3+]C1(c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)CCCCC1 ZINC000333545430 433065511 /nfs/dbraw/zinc/06/55/11/433065511.db2.gz IPFNYBDWNBICEQ-AWEZNQCLSA-N 2 1 304.438 3.267 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OCC ZINC000290512687 433073695 /nfs/dbraw/zinc/07/36/95/433073695.db2.gz PPLYRSLVSXOTMR-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000290512687 433073706 /nfs/dbraw/zinc/07/37/06/433073706.db2.gz PPLYRSLVSXOTMR-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000290512687 433073716 /nfs/dbraw/zinc/07/37/16/433073716.db2.gz PPLYRSLVSXOTMR-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000290512687 433073725 /nfs/dbraw/zinc/07/37/25/433073725.db2.gz PPLYRSLVSXOTMR-RDJZCZTQSA-N 2 1 320.477 3.256 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290514721 433075488 /nfs/dbraw/zinc/07/54/88/433075488.db2.gz PSMPTPZYQOLDOE-UHFFFAOYSA-N 2 1 316.430 3.430 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290514721 433075497 /nfs/dbraw/zinc/07/54/97/433075497.db2.gz PSMPTPZYQOLDOE-UHFFFAOYSA-N 2 1 316.430 3.430 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000446748502 433099868 /nfs/dbraw/zinc/09/98/68/433099868.db2.gz PUEYCRIAQZAXDT-UFYCRDLUSA-N 2 1 316.489 3.444 20 0 DGADMP Fc1ccc(OCCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298304891 433084898 /nfs/dbraw/zinc/08/48/98/433084898.db2.gz HSYNFOKOGLZAGR-UHFFFAOYSA-N 2 1 306.425 3.201 20 0 DGADMP Cc1cnn(CCCCC[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000354461190 433096401 /nfs/dbraw/zinc/09/64/01/433096401.db2.gz QAJIRAJMTYPVEN-UHFFFAOYSA-N 2 1 306.498 3.166 20 0 DGADMP Fc1ccc(N2CCC[N@@H+](Cc3cccc4nccn43)CC2)cc1 ZINC000373213763 433128035 /nfs/dbraw/zinc/12/80/35/433128035.db2.gz AITMMBHWAARFBS-UHFFFAOYSA-N 2 1 324.403 3.186 20 0 DGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2CF)CC1 ZINC000354522394 433128352 /nfs/dbraw/zinc/12/83/52/433128352.db2.gz QQZAVJPNIICJIJ-GOSISDBHSA-N 2 1 319.468 3.153 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1O ZINC000290661886 433134518 /nfs/dbraw/zinc/13/45/18/433134518.db2.gz KQYGPCLIROECRE-CYBMUJFWSA-N 2 1 303.406 3.037 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304886 433154518 /nfs/dbraw/zinc/15/45/18/433154518.db2.gz OVUHHVPFLLWXNL-IIDMSEBBSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304886 433154524 /nfs/dbraw/zinc/15/45/24/433154524.db2.gz OVUHHVPFLLWXNL-IIDMSEBBSA-N 2 1 322.880 3.492 20 0 DGADMP COc1ccccc1CCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420286187 433145553 /nfs/dbraw/zinc/14/55/53/433145553.db2.gz FTVQVNFEYOUDDG-UHFFFAOYSA-N 2 1 302.462 3.092 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)C1 ZINC000361396906 433149711 /nfs/dbraw/zinc/14/97/11/433149711.db2.gz VRKAAAYMLIUZSI-SPOLIRPYSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000361396906 433149720 /nfs/dbraw/zinc/14/97/20/433149720.db2.gz VRKAAAYMLIUZSI-SPOLIRPYSA-N 2 1 308.510 3.122 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)C1 ZINC000361396906 433149725 /nfs/dbraw/zinc/14/97/25/433149725.db2.gz VRKAAAYMLIUZSI-SPOLIRPYSA-N 2 1 308.510 3.122 20 0 DGADMP COC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000446753492 433101049 /nfs/dbraw/zinc/10/10/49/433101049.db2.gz SDBSRFMRSCXEJR-HXUWFJFHSA-N 2 1 316.489 3.230 20 0 DGADMP COC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000446753492 433101059 /nfs/dbraw/zinc/10/10/59/433101059.db2.gz SDBSRFMRSCXEJR-HXUWFJFHSA-N 2 1 316.489 3.230 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000354503694 433119771 /nfs/dbraw/zinc/11/97/71/433119771.db2.gz OLCINRNHLQJMOD-BFYSWAEVSA-N 2 1 322.493 3.103 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000354503694 433119781 /nfs/dbraw/zinc/11/97/81/433119781.db2.gz OLCINRNHLQJMOD-BFYSWAEVSA-N 2 1 322.493 3.103 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350273132 433120942 /nfs/dbraw/zinc/12/09/42/433120942.db2.gz ZITMYOXROZGTFR-AEFFLSMTSA-N 2 1 317.477 3.045 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2nc(C3CC3)cs2)C[C@H]1c1ccccc1 ZINC000420315822 433159725 /nfs/dbraw/zinc/15/97/25/433159725.db2.gz MTKBLVNELJSHEW-CVEARBPZSA-N 2 1 313.470 3.195 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(C3CC3)cs2)C[C@H]1c1ccccc1 ZINC000420315822 433159734 /nfs/dbraw/zinc/15/97/34/433159734.db2.gz MTKBLVNELJSHEW-CVEARBPZSA-N 2 1 313.470 3.195 20 0 DGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1OC(F)(F)F ZINC000420318268 433161301 /nfs/dbraw/zinc/16/13/01/433161301.db2.gz OGGOLYYTLKGWKC-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@@H]1SC ZINC000298515255 433163775 /nfs/dbraw/zinc/16/37/75/433163775.db2.gz RDKQYVDVCZLVGU-KSZLIROESA-N 2 1 322.518 3.137 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@H](c1ccccc1)c1cncnc1)C1CC1 ZINC000453407581 433164125 /nfs/dbraw/zinc/16/41/25/433164125.db2.gz SCBTYYYFFKXXBG-LJQANCHMSA-N 2 1 310.445 3.030 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000420327890 433164294 /nfs/dbraw/zinc/16/42/94/433164294.db2.gz ZBKMNUGMBPBBST-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CCCCc1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420320372 433165371 /nfs/dbraw/zinc/16/53/71/433165371.db2.gz BLIIVWXGUCILNG-LSDHHAIUSA-N 2 1 307.507 3.307 20 0 DGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000420323780 433165395 /nfs/dbraw/zinc/16/53/95/433165395.db2.gz UIZVEHIAILMANA-FUHWJXTLSA-N 2 1 304.478 3.338 20 0 DGADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC12CCOCC2 ZINC000420322354 433167988 /nfs/dbraw/zinc/16/79/88/433167988.db2.gz DUUQLQOZCOSWLL-SUMWQHHRSA-N 2 1 320.864 3.015 20 0 DGADMP CC(C)n1cncc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000425334908 433171685 /nfs/dbraw/zinc/17/16/85/433171685.db2.gz HSCHHFYFDSNCSC-KRWDZBQOSA-N 2 1 312.461 3.170 20 0 DGADMP CC(C)n1cncc1CN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000425334908 433171690 /nfs/dbraw/zinc/17/16/90/433171690.db2.gz HSCHHFYFDSNCSC-KRWDZBQOSA-N 2 1 312.461 3.170 20 0 DGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338447 433171648 /nfs/dbraw/zinc/17/16/48/433171648.db2.gz XZIRWNNVEHNTPR-RBSFLKMASA-N 2 1 305.466 3.355 20 0 DGADMP Clc1cccc(O[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000420356929 433174273 /nfs/dbraw/zinc/17/42/73/433174273.db2.gz HELCYARPXLDZSY-WMLDXEAASA-N 2 1 308.853 3.183 20 0 DGADMP [NH3+]C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)C1CCCCC1 ZINC000420361132 433175015 /nfs/dbraw/zinc/17/50/15/433175015.db2.gz HUVJOCSQVIHCID-OAHLLOKOSA-N 2 1 314.832 3.355 20 0 DGADMP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298556571 433177682 /nfs/dbraw/zinc/17/76/82/433177682.db2.gz VLOVMGIDXWHKLG-OAHLLOKOSA-N 2 1 302.462 3.405 20 0 DGADMP COC(C)(C)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336706296 433178593 /nfs/dbraw/zinc/17/85/93/433178593.db2.gz IMRYDFOZCDNBNU-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP COC(C)(C)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336706296 433178604 /nfs/dbraw/zinc/17/86/04/433178604.db2.gz IMRYDFOZCDNBNU-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP COC(C)(C)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336706296 433178612 /nfs/dbraw/zinc/17/86/12/433178612.db2.gz IMRYDFOZCDNBNU-SFHVURJKSA-N 2 1 304.478 3.255 20 0 DGADMP Fc1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000420357449 433178952 /nfs/dbraw/zinc/17/89/52/433178952.db2.gz HWECRQQWARLQHB-INIZCTEOSA-N 2 1 320.452 3.196 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1 ZINC000350481716 433181318 /nfs/dbraw/zinc/18/13/18/433181318.db2.gz RHPJNDZPSMDPSR-HUUCEWRRSA-N 2 1 323.444 3.196 20 0 DGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1c(-c2ccccc2)nc2ccccn21 ZINC000420362347 433183973 /nfs/dbraw/zinc/18/39/73/433183973.db2.gz NAEYVOHQHXKFDJ-QGZVFWFLSA-N 2 1 322.456 3.464 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000420365731 433184158 /nfs/dbraw/zinc/18/41/58/433184158.db2.gz FIQMWAASNJSCAX-LJQANCHMSA-N 3 1 321.553 3.210 20 0 DGADMP C[N@H+](C[C@@H]1CCCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336712405 433185454 /nfs/dbraw/zinc/18/54/54/433185454.db2.gz MOEDMBHZRZUXSK-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](C[C@@H]1CCCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336712405 433185461 /nfs/dbraw/zinc/18/54/61/433185461.db2.gz MOEDMBHZRZUXSK-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP Fc1ccc2c(CC[NH2+]C3CC[NH+](C4CC4)CC3)c[nH]c2c1 ZINC000298587699 433186783 /nfs/dbraw/zinc/18/67/83/433186783.db2.gz YGSDCWZLMSKKLV-UHFFFAOYSA-N 2 1 301.409 3.066 20 0 DGADMP CC[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)OC ZINC000420380366 433187371 /nfs/dbraw/zinc/18/73/71/433187371.db2.gz WGRQONYXNAYRNU-FUHWJXTLSA-N 2 1 318.461 3.002 20 0 DGADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000336716917 433187617 /nfs/dbraw/zinc/18/76/17/433187617.db2.gz QHLZYVQTLKCHIY-MRXNPFEDSA-N 2 1 315.486 3.317 20 0 DGADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000336716917 433187624 /nfs/dbraw/zinc/18/76/24/433187624.db2.gz QHLZYVQTLKCHIY-MRXNPFEDSA-N 2 1 315.486 3.317 20 0 DGADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420372116 433188651 /nfs/dbraw/zinc/18/86/51/433188651.db2.gz LBKDWTYQYRAODK-CVEARBPZSA-N 2 1 322.880 3.430 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000336869821 433197199 /nfs/dbraw/zinc/19/71/99/433197199.db2.gz FDWWSFAEHZYGKP-LJQANCHMSA-N 2 1 313.445 3.218 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000336869821 433197205 /nfs/dbraw/zinc/19/72/05/433197205.db2.gz FDWWSFAEHZYGKP-LJQANCHMSA-N 2 1 313.445 3.218 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000453592079 433224621 /nfs/dbraw/zinc/22/46/21/433224621.db2.gz DFVPKNZHPGDPEN-UHFFFAOYSA-N 2 1 316.367 3.375 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000447563790 433228303 /nfs/dbraw/zinc/22/83/03/433228303.db2.gz SKSKJVAFKLMEGO-VJAOCGABSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563790 433228311 /nfs/dbraw/zinc/22/83/11/433228311.db2.gz SKSKJVAFKLMEGO-VJAOCGABSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563790 433228319 /nfs/dbraw/zinc/22/83/19/433228319.db2.gz SKSKJVAFKLMEGO-VJAOCGABSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000447563790 433228329 /nfs/dbraw/zinc/22/83/29/433228329.db2.gz SKSKJVAFKLMEGO-VJAOCGABSA-N 2 1 313.489 3.037 20 0 DGADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447563790 433228335 /nfs/dbraw/zinc/22/83/35/433228335.db2.gz SKSKJVAFKLMEGO-VJAOCGABSA-N 2 1 313.489 3.037 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1conc1Cc1ccccc1)C1CC1 ZINC000453604296 433231952 /nfs/dbraw/zinc/23/19/52/433231952.db2.gz YYGRLSAFBZJCPP-UHFFFAOYSA-N 2 1 313.445 3.229 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479683 433261312 /nfs/dbraw/zinc/26/13/12/433261312.db2.gz QHAYHKXVAWVXRO-IRXDYDNUSA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479683 433261324 /nfs/dbraw/zinc/26/13/24/433261324.db2.gz QHAYHKXVAWVXRO-IRXDYDNUSA-N 2 1 324.509 3.447 20 0 DGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479683 433261333 /nfs/dbraw/zinc/26/13/33/433261333.db2.gz QHAYHKXVAWVXRO-IRXDYDNUSA-N 2 1 324.509 3.447 20 0 DGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000447733164 433266535 /nfs/dbraw/zinc/26/65/35/433266535.db2.gz WWBODZPNWCBUEP-BPQIPLTHSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000447733164 433266543 /nfs/dbraw/zinc/26/65/43/433266543.db2.gz WWBODZPNWCBUEP-BPQIPLTHSA-N 2 1 322.880 3.332 20 0 DGADMP C[N@H+]1CC[C@@H]2CCN(Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728316 433267416 /nfs/dbraw/zinc/26/74/16/433267416.db2.gz CRFPEZNZGAYIQX-DYVFJYSZSA-N 2 1 315.848 3.414 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1CNc1cc(C)nc(C(C)C)n1 ZINC000350734929 433267598 /nfs/dbraw/zinc/26/75/98/433267598.db2.gz CTAKWMNTQGCIAY-UHFFFAOYSA-N 2 1 321.428 4.015 20 0 DGADMP Cc1cccnc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354862333 433324218 /nfs/dbraw/zinc/32/42/18/433324218.db2.gz QVJZTGKYKKQAJB-UHFFFAOYSA-N 2 1 310.445 3.133 20 0 DGADMP Cc1ncc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000354864618 433325135 /nfs/dbraw/zinc/32/51/35/433325135.db2.gz VIUNICNOLKNBCV-UHFFFAOYSA-N 2 1 316.474 3.195 20 0 DGADMP C[C@@H](CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000354823933 433297760 /nfs/dbraw/zinc/29/77/60/433297760.db2.gz YUBHOKYDQLRYQV-AZUAARDMSA-N 2 1 316.489 3.400 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1 ZINC000420905485 433301101 /nfs/dbraw/zinc/30/11/01/433301101.db2.gz DDQVDQFUYSLZNL-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1 ZINC000420905485 433301108 /nfs/dbraw/zinc/30/11/08/433301108.db2.gz DDQVDQFUYSLZNL-INIZCTEOSA-N 2 1 302.462 3.139 20 0 DGADMP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420914606 433307101 /nfs/dbraw/zinc/30/71/01/433307101.db2.gz CKZUIIKZUUFAJA-LPHOPBHVSA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420910451 433307905 /nfs/dbraw/zinc/30/79/05/433307905.db2.gz FBIDDTFAMKDSRT-CALCHBBNSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910451 433307911 /nfs/dbraw/zinc/30/79/11/433307911.db2.gz FBIDDTFAMKDSRT-CALCHBBNSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910451 433307919 /nfs/dbraw/zinc/30/79/19/433307919.db2.gz FBIDDTFAMKDSRT-CALCHBBNSA-N 2 1 302.462 3.282 20 0 DGADMP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420907585 433308747 /nfs/dbraw/zinc/30/87/47/433308747.db2.gz VEGNYOQZPPTEOJ-UHFFFAOYSA-N 2 1 324.468 3.459 20 0 DGADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420907585 433308757 /nfs/dbraw/zinc/30/87/57/433308757.db2.gz VEGNYOQZPPTEOJ-UHFFFAOYSA-N 2 1 324.468 3.459 20 0 DGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420914412 433309957 /nfs/dbraw/zinc/30/99/57/433309957.db2.gz JZOGRRMGECGPSR-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914412 433309964 /nfs/dbraw/zinc/30/99/64/433309964.db2.gz JZOGRRMGECGPSR-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914412 433309969 /nfs/dbraw/zinc/30/99/69/433309969.db2.gz JZOGRRMGECGPSR-QGZVFWFLSA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000341896354 433347024 /nfs/dbraw/zinc/34/70/24/433347024.db2.gz KIENWWNVZHEZHK-APWZRJJASA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000341896354 433347030 /nfs/dbraw/zinc/34/70/30/433347030.db2.gz KIENWWNVZHEZHK-APWZRJJASA-N 2 1 304.478 3.432 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361748122 433370662 /nfs/dbraw/zinc/37/06/62/433370662.db2.gz GRLPJNNIYNKIEF-YSHGAJCASA-N 2 1 302.462 3.287 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361748122 433370665 /nfs/dbraw/zinc/37/06/65/433370665.db2.gz GRLPJNNIYNKIEF-YSHGAJCASA-N 2 1 302.462 3.287 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)C[NH+](C)C ZINC000425914281 433372073 /nfs/dbraw/zinc/37/20/73/433372073.db2.gz BOFCFTIZSTWRGZ-KBXCAEBGSA-N 2 1 302.462 3.176 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000425935120 433378406 /nfs/dbraw/zinc/37/84/06/433378406.db2.gz GYSRAKPFYLUKDF-WDEREUQCSA-N 2 1 317.246 3.437 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000341885466 433337195 /nfs/dbraw/zinc/33/71/95/433337195.db2.gz AOTBKQJCGVVANA-GVDBMIGSSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000341885466 433337210 /nfs/dbraw/zinc/33/72/10/433337210.db2.gz AOTBKQJCGVVANA-GVDBMIGSSA-N 2 1 304.478 3.432 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CCC2 ZINC000339069220 433340219 /nfs/dbraw/zinc/34/02/19/433340219.db2.gz SAYMWNOXKLCYLT-UYAOXDASSA-N 2 1 316.489 3.055 20 0 DGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C/C=C\c3ccncc3)C1)CCCC2 ZINC000426169645 433431473 /nfs/dbraw/zinc/43/14/73/433431473.db2.gz GRZKYKSYFURQBK-PYTPGESOSA-N 2 1 322.456 3.426 20 0 DGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C/C=C\c3ccncc3)C1)CCCC2 ZINC000426169645 433431486 /nfs/dbraw/zinc/43/14/86/433431486.db2.gz GRZKYKSYFURQBK-PYTPGESOSA-N 2 1 322.456 3.426 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C2 ZINC000425936229 433378659 /nfs/dbraw/zinc/37/86/59/433378659.db2.gz LQPFKTFKMLTECV-BQFCYCMXSA-N 2 1 316.489 3.263 20 0 DGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1)C2 ZINC000425936229 433378663 /nfs/dbraw/zinc/37/86/63/433378663.db2.gz LQPFKTFKMLTECV-BQFCYCMXSA-N 2 1 316.489 3.263 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000361763768 433382180 /nfs/dbraw/zinc/38/21/80/433382180.db2.gz GDFQUZQPNVFWKR-UHFFFAOYSA-N 2 1 311.429 3.183 20 0 DGADMP CC(C)C(C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000375266918 433403475 /nfs/dbraw/zinc/40/34/75/433403475.db2.gz OCKACWSVPGXHBG-SFHVURJKSA-N 2 1 309.542 3.015 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131509 433415820 /nfs/dbraw/zinc/41/58/20/433415820.db2.gz LAINPJHTXMUFFT-JQHSSLGASA-N 2 1 322.880 3.022 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414131509 433415825 /nfs/dbraw/zinc/41/58/25/433415825.db2.gz LAINPJHTXMUFFT-JQHSSLGASA-N 2 1 322.880 3.022 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887011 433439325 /nfs/dbraw/zinc/43/93/25/433439325.db2.gz BKKQIAPLNOIIAC-QAPCUYQASA-N 2 1 316.470 3.036 20 0 DGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361887011 433439330 /nfs/dbraw/zinc/43/93/30/433439330.db2.gz BKKQIAPLNOIIAC-QAPCUYQASA-N 2 1 316.470 3.036 20 0 DGADMP CC[C@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355058034 433443885 /nfs/dbraw/zinc/44/38/85/433443885.db2.gz CPJYAUURTCCPMI-YLJYHZDGSA-N 2 1 315.505 3.238 20 0 DGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414183017 433445870 /nfs/dbraw/zinc/44/58/70/433445870.db2.gz NLXBREOEJIVGHJ-WBVHZDCISA-N 2 1 318.461 3.230 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000355069808 433446539 /nfs/dbraw/zinc/44/65/39/433446539.db2.gz SDVHYGCKPHOTTQ-DOTOQJQBSA-N 2 1 302.462 3.047 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nccs1 ZINC000423170462 290031027 /nfs/dbraw/zinc/03/10/27/290031027.db2.gz MCEKLXAGPKRCIA-DXCKQFNASA-N 2 1 315.442 3.050 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414226322 433471169 /nfs/dbraw/zinc/47/11/69/433471169.db2.gz BVXKHFADICQDIC-XJKSGUPXSA-N 2 1 308.416 3.316 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCOC)c1 ZINC000282031829 433472159 /nfs/dbraw/zinc/47/21/59/433472159.db2.gz FNLNPLKMLYZPGS-MOPGFXCFSA-N 2 1 304.478 3.433 20 0 DGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1)C(C)C ZINC000292132064 433474832 /nfs/dbraw/zinc/47/48/32/433474832.db2.gz RMXDIBYNDSXMSS-MRXNPFEDSA-N 2 1 319.493 3.164 20 0 DGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000342114802 433475924 /nfs/dbraw/zinc/47/59/24/433475924.db2.gz WUIMCHYFZHYFIC-WDSOQIARSA-N 2 1 314.473 3.374 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccs1 ZINC000375621577 433512855 /nfs/dbraw/zinc/51/28/55/433512855.db2.gz URYBMMQYSIOJMA-UHFFFAOYSA-N 2 1 304.463 3.056 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccs1 ZINC000375621577 433512861 /nfs/dbraw/zinc/51/28/61/433512861.db2.gz URYBMMQYSIOJMA-UHFFFAOYSA-N 2 1 304.463 3.056 20 0 DGADMP COc1ccc2oc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000362074768 433515075 /nfs/dbraw/zinc/51/50/75/433515075.db2.gz BGJBSAHBEZTLOO-GJZGRUSLSA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000362074768 433515081 /nfs/dbraw/zinc/51/50/81/433515081.db2.gz BGJBSAHBEZTLOO-GJZGRUSLSA-N 2 1 300.402 3.158 20 0 DGADMP COc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000362074768 433515085 /nfs/dbraw/zinc/51/50/85/433515085.db2.gz BGJBSAHBEZTLOO-GJZGRUSLSA-N 2 1 300.402 3.158 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1 ZINC000414293770 433522123 /nfs/dbraw/zinc/52/21/23/433522123.db2.gz VYGZWPUXCZWEBS-INIZCTEOSA-N 2 1 324.472 3.307 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1 ZINC000414293770 433522134 /nfs/dbraw/zinc/52/21/34/433522134.db2.gz VYGZWPUXCZWEBS-INIZCTEOSA-N 2 1 324.472 3.307 20 0 DGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477534 433522732 /nfs/dbraw/zinc/52/27/32/433522732.db2.gz NLCKMWDPAOSOMU-WIYYLYMNSA-N 2 1 324.468 3.432 20 0 DGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477534 433522739 /nfs/dbraw/zinc/52/27/39/433522739.db2.gz NLCKMWDPAOSOMU-WIYYLYMNSA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477534 433522743 /nfs/dbraw/zinc/52/27/43/433522743.db2.gz NLCKMWDPAOSOMU-WIYYLYMNSA-N 2 1 324.468 3.432 20 0 DGADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000351477534 433522752 /nfs/dbraw/zinc/52/27/52/433522752.db2.gz NLCKMWDPAOSOMU-WIYYLYMNSA-N 2 1 324.468 3.432 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000355195073 433522892 /nfs/dbraw/zinc/52/28/92/433522892.db2.gz HXEQOJYJIAYNKH-PVTMFURFSA-N 2 1 318.461 3.087 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000355195073 433522904 /nfs/dbraw/zinc/52/29/04/433522904.db2.gz HXEQOJYJIAYNKH-PVTMFURFSA-N 2 1 318.461 3.087 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000355195070 433523579 /nfs/dbraw/zinc/52/35/79/433523579.db2.gz HXEQOJYJIAYNKH-HGIHFSPSSA-N 2 1 318.461 3.087 20 0 DGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000355195070 433523590 /nfs/dbraw/zinc/52/35/90/433523590.db2.gz HXEQOJYJIAYNKH-HGIHFSPSSA-N 2 1 318.461 3.087 20 0 DGADMP COC1([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414298806 433525712 /nfs/dbraw/zinc/52/57/12/433525712.db2.gz HJTSOWLNYKGYNA-LNLFQRSKSA-N 2 1 316.489 3.444 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@@H]12 ZINC000351486860 433527590 /nfs/dbraw/zinc/52/75/90/433527590.db2.gz BLRYGZPEAVMSLB-WOSRLPQWSA-N 2 1 301.821 3.057 20 0 DGADMP C[C@@H]1C[NH+](CCCNc2cc[nH+]c3ccsc32)C[C@@H](C)O1 ZINC000301368421 433527840 /nfs/dbraw/zinc/52/78/40/433527840.db2.gz RJOVUVRNKAFWPI-CHWSQXEVSA-N 2 1 305.447 3.208 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@@H]12 ZINC000351486861 433528716 /nfs/dbraw/zinc/52/87/16/433528716.db2.gz BLRYGZPEAVMSLB-XJKCOSOUSA-N 2 1 301.821 3.057 20 0 DGADMP CCc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000414305651 433530008 /nfs/dbraw/zinc/53/00/08/433530008.db2.gz QDNTXOCPQMUICS-UHFFFAOYSA-N 2 1 312.461 3.169 20 0 DGADMP Cc1cc(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000339373419 433540197 /nfs/dbraw/zinc/54/01/97/433540197.db2.gz DQJMUWANNMNXPR-OAHLLOKOSA-N 2 1 310.869 3.239 20 0 DGADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282236387 433540577 /nfs/dbraw/zinc/54/05/77/433540577.db2.gz IVSWAKUOQPVKQO-WMZOPIPTSA-N 2 1 315.505 3.159 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3csc(C)c3)CC2)CC1 ZINC000421367568 433509836 /nfs/dbraw/zinc/50/98/36/433509836.db2.gz FFZPZMWDRIRDKB-UHFFFAOYSA-N 2 1 321.534 3.049 20 0 DGADMP CCCC[N@@H+](C)CC1CCN(c2nc(C)nc(C)c2C)CC1 ZINC000301444169 433557360 /nfs/dbraw/zinc/55/73/60/433557360.db2.gz OOBCDHOLWPLJAN-UHFFFAOYSA-N 2 1 304.482 3.350 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccoc3C)CC2)oc1C ZINC000414346834 433558370 /nfs/dbraw/zinc/55/83/70/433558370.db2.gz GMHPYDHJWMPJAX-UHFFFAOYSA-N 2 1 317.433 3.195 20 0 DGADMP C[C@@H](c1ccc(Cl)cc1)N(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538430 433558712 /nfs/dbraw/zinc/55/87/12/433558712.db2.gz RBZYTWRUSCTLTP-UGSOOPFHSA-N 2 1 322.880 3.321 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCCCOc3ccccc3)C[C@@H]21 ZINC000339407045 433561972 /nfs/dbraw/zinc/56/19/72/433561972.db2.gz KCHGMRJJGUGUDN-NZSAHSFTSA-N 2 1 302.462 3.295 20 0 DGADMP CCc1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)cn1 ZINC000414358380 433568872 /nfs/dbraw/zinc/56/88/72/433568872.db2.gz BZFGCJBYINLRFQ-SJORKVTESA-N 2 1 304.482 3.029 20 0 DGADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427520 433574408 /nfs/dbraw/zinc/57/44/08/433574408.db2.gz WMKKVCRFMSGHFQ-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427520 433574416 /nfs/dbraw/zinc/57/44/16/433574416.db2.gz WMKKVCRFMSGHFQ-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427520 433574421 /nfs/dbraw/zinc/57/44/21/433574421.db2.gz WMKKVCRFMSGHFQ-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000339427520 433574426 /nfs/dbraw/zinc/57/44/26/433574426.db2.gz WMKKVCRFMSGHFQ-IBGZPJMESA-N 2 1 313.420 3.292 20 0 DGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000282350052 433577651 /nfs/dbraw/zinc/57/76/51/433577651.db2.gz PFFYPOBGJHRWJT-CQSZACIVSA-N 2 1 309.885 3.017 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429637 433578744 /nfs/dbraw/zinc/57/87/44/433578744.db2.gz YHIJYSYVLQBJPZ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429637 433578754 /nfs/dbraw/zinc/57/87/54/433578754.db2.gz YHIJYSYVLQBJPZ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429637 433578765 /nfs/dbraw/zinc/57/87/65/433578765.db2.gz YHIJYSYVLQBJPZ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3cccc(Cl)c3)C2)C1 ZINC000339429637 433578775 /nfs/dbraw/zinc/57/87/75/433578775.db2.gz YHIJYSYVLQBJPZ-QGZVFWFLSA-N 2 1 308.853 3.137 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574633 433586494 /nfs/dbraw/zinc/58/64/94/433586494.db2.gz PQORLPJKYJNCDR-MSOLQXFVSA-N 2 1 304.478 3.209 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000351574633 433586502 /nfs/dbraw/zinc/58/65/02/433586502.db2.gz PQORLPJKYJNCDR-MSOLQXFVSA-N 2 1 304.478 3.209 20 0 DGADMP C[C@@H]1CCc2nc(CN(C)C[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000351580012 433592684 /nfs/dbraw/zinc/59/26/84/433592684.db2.gz AGDSXJRPNYNVSY-KGLIPLIRSA-N 2 1 307.507 3.042 20 0 DGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351511792 433542797 /nfs/dbraw/zinc/54/27/97/433542797.db2.gz DFVMBWYWBCRGEL-HFTRVMKXSA-N 2 1 320.477 3.070 20 0 DGADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163807673 292872097 /nfs/dbraw/zinc/87/20/97/292872097.db2.gz MOJBQPXJJWNFIU-PXNSSMCTSA-N 2 1 318.505 3.080 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000282412070 433599295 /nfs/dbraw/zinc/59/92/95/433599295.db2.gz GAWSYYAVUHDCIB-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000282412070 433599307 /nfs/dbraw/zinc/59/93/07/433599307.db2.gz GAWSYYAVUHDCIB-RTBURBONSA-N 2 1 316.489 3.446 20 0 DGADMP COc1cc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1Cl ZINC000339574501 433663528 /nfs/dbraw/zinc/66/35/28/433663528.db2.gz WEPHSVYTKSNFMB-UHFFFAOYSA-N 2 1 319.836 3.142 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000366537159 292960454 /nfs/dbraw/zinc/96/04/54/292960454.db2.gz VRDMLDANILDCOS-SUMWQHHRSA-N 2 1 319.474 3.325 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccn1 ZINC000283129276 433675166 /nfs/dbraw/zinc/67/51/66/433675166.db2.gz ZOSPCCQQQALLMF-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000283129276 433675173 /nfs/dbraw/zinc/67/51/73/433675173.db2.gz ZOSPCCQQQALLMF-IBGZPJMESA-N 2 1 309.457 3.472 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025716 433676674 /nfs/dbraw/zinc/67/66/74/433676674.db2.gz CMAQWVGDSPMZNN-CRAIPNDOSA-N 2 1 304.482 3.160 20 0 DGADMP Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000301686455 433678166 /nfs/dbraw/zinc/67/81/66/433678166.db2.gz UTAWPPYJFZKLQY-KGLIPLIRSA-N 2 1 317.408 3.203 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000376044024 433650179 /nfs/dbraw/zinc/65/01/79/433650179.db2.gz ANYSXHZSMAFOOA-NSHGMRRFSA-N 2 1 315.505 3.223 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427099800 433651605 /nfs/dbraw/zinc/65/16/05/433651605.db2.gz IKARXCJVMDTVDC-PKOBYXMFSA-N 2 1 302.462 3.295 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427099800 433651608 /nfs/dbraw/zinc/65/16/08/433651608.db2.gz IKARXCJVMDTVDC-PKOBYXMFSA-N 2 1 302.462 3.295 20 0 DGADMP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000367189411 293035684 /nfs/dbraw/zinc/03/56/84/293035684.db2.gz WEFLAQHJIUFQNN-PILAGYSTSA-N 2 1 306.400 3.427 20 0 DGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367237584 293042381 /nfs/dbraw/zinc/04/23/81/293042381.db2.gz LRNUPWISCOOCSZ-SLFFLAALSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356783320 433695570 /nfs/dbraw/zinc/69/55/70/433695570.db2.gz LNMWJHOCUHLFTA-QGZVKYPTSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356783320 433695575 /nfs/dbraw/zinc/69/55/75/433695575.db2.gz LNMWJHOCUHLFTA-QGZVKYPTSA-N 2 1 316.489 3.444 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000367754751 293093513 /nfs/dbraw/zinc/09/35/13/293093513.db2.gz QLJLTEJECSIBJB-GOSISDBHSA-N 2 1 313.445 3.237 20 0 DGADMP CCC(CC)[C@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)[NH+](C)C ZINC000370665364 293183169 /nfs/dbraw/zinc/18/31/69/293183169.db2.gz OPWYTIHMUNOWHA-JCYILVPMSA-N 2 1 322.497 3.360 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000370675954 293185075 /nfs/dbraw/zinc/18/50/75/293185075.db2.gz GYSMGKLIYANDPY-HLLBOEOZSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCCO2 ZINC000370675954 293185077 /nfs/dbraw/zinc/18/50/77/293185077.db2.gz GYSMGKLIYANDPY-HLLBOEOZSA-N 2 1 304.409 3.256 20 0 DGADMP COc1ccc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000371330993 293210957 /nfs/dbraw/zinc/21/09/57/293210957.db2.gz ZYEALDXSZKYDTO-SFHVURJKSA-N 2 1 302.462 3.359 20 0 DGADMP C[N@@H+](C[C@H]1CCSC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000373349806 293263772 /nfs/dbraw/zinc/26/37/72/293263772.db2.gz JOONEVYFZUZRCI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@H]1CCSC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373349806 293263773 /nfs/dbraw/zinc/26/37/73/293263773.db2.gz JOONEVYFZUZRCI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP C[NH+](C[C@H]1CCSC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373349806 293263774 /nfs/dbraw/zinc/26/37/74/293263774.db2.gz JOONEVYFZUZRCI-QZTJIDSGSA-N 2 1 304.503 3.193 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373389814 293268595 /nfs/dbraw/zinc/26/85/95/293268595.db2.gz AIRRBHXEHZNQGG-QYZOEREBSA-N 2 1 309.542 3.161 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCc1ccccc1 ZINC000373450641 293276713 /nfs/dbraw/zinc/27/67/13/293276713.db2.gz BIFYICMWZFYPSI-AQNXPRMDSA-N 2 1 316.489 3.193 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCS2 ZINC000373636985 293300223 /nfs/dbraw/zinc/30/02/23/293300223.db2.gz GSHXVYUUZKKETM-CKEIUWERSA-N 2 1 318.486 3.449 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000373636985 293300225 /nfs/dbraw/zinc/30/02/25/293300225.db2.gz GSHXVYUUZKKETM-CKEIUWERSA-N 2 1 318.486 3.449 20 0 DGADMP OCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374054252 293347875 /nfs/dbraw/zinc/34/78/75/293347875.db2.gz NWHINJBGDDZVHM-HXUWFJFHSA-N 2 1 316.489 3.137 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449062828 433721807 /nfs/dbraw/zinc/72/18/07/433721807.db2.gz NBQJIDUZIUICTJ-MRXNPFEDSA-N 2 1 304.478 3.433 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)CC1 ZINC000374323348 293384118 /nfs/dbraw/zinc/38/41/18/293384118.db2.gz HSWSKUFLJXTSPJ-UHFFFAOYSA-N 2 1 311.429 3.402 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2coc(-c3ccccc3)n2)CC1 ZINC000374323348 293384121 /nfs/dbraw/zinc/38/41/21/293384121.db2.gz HSWSKUFLJXTSPJ-UHFFFAOYSA-N 2 1 311.429 3.402 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427583561 433732874 /nfs/dbraw/zinc/73/28/74/433732874.db2.gz PGSINIIKYRQGTG-IBGZPJMESA-N 2 1 304.478 3.394 20 0 DGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293412929 433733402 /nfs/dbraw/zinc/73/34/02/433733402.db2.gz SFPOCHRDTBKUOR-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293412929 433733412 /nfs/dbraw/zinc/73/34/12/433733412.db2.gz SFPOCHRDTBKUOR-UHFFFAOYSA-N 2 1 311.429 3.163 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000421820234 433745044 /nfs/dbraw/zinc/74/50/44/433745044.db2.gz LMQUNMQOKJAINH-NUJGCVRESA-N 2 1 301.478 3.039 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000421820234 433745056 /nfs/dbraw/zinc/74/50/56/433745056.db2.gz LMQUNMQOKJAINH-NUJGCVRESA-N 2 1 301.478 3.039 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000351851258 433755279 /nfs/dbraw/zinc/75/52/79/433755279.db2.gz KVZCOKCJYXLWCY-NVXWUHKLSA-N 2 1 320.440 3.170 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000351851259 433755615 /nfs/dbraw/zinc/75/56/15/433755615.db2.gz KVZCOKCJYXLWCY-RDJZCZTQSA-N 2 1 320.440 3.170 20 0 DGADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)c(F)c1 ZINC000421835530 433756349 /nfs/dbraw/zinc/75/63/49/433756349.db2.gz MTDPOVTUPHPIDQ-SFHVURJKSA-N 2 1 304.409 3.137 20 0 DGADMP C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000293498517 433760702 /nfs/dbraw/zinc/76/07/02/433760702.db2.gz HCWFZTZKSVUWKP-FCLJQHQZSA-N 2 1 314.429 3.023 20 0 DGADMP C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000293498517 433760711 /nfs/dbraw/zinc/76/07/11/433760711.db2.gz HCWFZTZKSVUWKP-FCLJQHQZSA-N 2 1 314.429 3.023 20 0 DGADMP C[NH+](C[C@@H](O)c1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000293498517 433760718 /nfs/dbraw/zinc/76/07/18/433760718.db2.gz HCWFZTZKSVUWKP-FCLJQHQZSA-N 2 1 314.429 3.023 20 0 DGADMP C[NH+](C[C@@H](O)c1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000293498517 433760723 /nfs/dbraw/zinc/76/07/23/433760723.db2.gz HCWFZTZKSVUWKP-FCLJQHQZSA-N 2 1 314.429 3.023 20 0 DGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449752250 433767483 /nfs/dbraw/zinc/76/74/83/433767483.db2.gz BUOPNCOMCDBTHJ-IJXRJRJASA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851753 433823913 /nfs/dbraw/zinc/82/39/13/433823913.db2.gz ZNNCHCKECUAGGF-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2Br)C1 ZINC000339851753 433823920 /nfs/dbraw/zinc/82/39/20/433823920.db2.gz ZNNCHCKECUAGGF-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2Br)C1 ZINC000339851753 433823927 /nfs/dbraw/zinc/82/39/27/433823927.db2.gz ZNNCHCKECUAGGF-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2Br)C1 ZINC000339851753 433823933 /nfs/dbraw/zinc/82/39/33/433823933.db2.gz ZNNCHCKECUAGGF-HOCLYGCPSA-N 2 1 323.278 3.365 20 0 DGADMP COCC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000293676633 433824070 /nfs/dbraw/zinc/82/40/70/433824070.db2.gz MYNWFEXESJNUQZ-LDLYASANSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414667778 433778653 /nfs/dbraw/zinc/77/86/53/433778653.db2.gz YUOZRJRCDWDRJW-DYEKYZERSA-N 2 1 300.368 3.478 20 0 DGADMP Cc1nocc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000293559560 433784468 /nfs/dbraw/zinc/78/44/68/433784468.db2.gz MAONNOGOIAORID-QWHZDKJVSA-N 2 1 313.445 3.229 20 0 DGADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000343195298 433787535 /nfs/dbraw/zinc/78/75/35/433787535.db2.gz OVARYICDNQAGIZ-DOTOQJQBSA-N 2 1 303.475 3.259 20 0 DGADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000343195298 433787542 /nfs/dbraw/zinc/78/75/42/433787542.db2.gz OVARYICDNQAGIZ-DOTOQJQBSA-N 2 1 303.475 3.259 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414697483 433796162 /nfs/dbraw/zinc/79/61/62/433796162.db2.gz WORQKKLUSHAUPP-HKUYNNGSSA-N 2 1 304.478 3.303 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC[NH2+]1 ZINC000414715430 433804237 /nfs/dbraw/zinc/80/42/37/433804237.db2.gz YRFBJNAUZNIMCL-QLFBSQMISA-N 2 1 308.853 3.181 20 0 DGADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)[NH+]1C ZINC000293635369 433812008 /nfs/dbraw/zinc/81/20/08/433812008.db2.gz LUDXFUCRAPHOBX-HDICACEKSA-N 2 1 317.521 3.169 20 0 DGADMP C[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)[N@H+]1C ZINC000293635369 433812016 /nfs/dbraw/zinc/81/20/16/433812016.db2.gz LUDXFUCRAPHOBX-HDICACEKSA-N 2 1 317.521 3.169 20 0 DGADMP C[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC000293635369 433812027 /nfs/dbraw/zinc/81/20/27/433812027.db2.gz LUDXFUCRAPHOBX-HDICACEKSA-N 2 1 317.521 3.169 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000414752114 433816484 /nfs/dbraw/zinc/81/64/84/433816484.db2.gz JZIGGGDCOXSDAH-RVKKMQEKSA-N 2 1 318.436 3.251 20 0 DGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414747516 433817787 /nfs/dbraw/zinc/81/77/87/433817787.db2.gz UPKCFNISSPATPM-HLLBOEOZSA-N 2 1 318.436 3.109 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435379231 433873160 /nfs/dbraw/zinc/87/31/60/433873160.db2.gz IESMXUXNPPEGPS-MRXNPFEDSA-N 2 1 324.472 3.006 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435379231 433873176 /nfs/dbraw/zinc/87/31/76/433873176.db2.gz IESMXUXNPPEGPS-MRXNPFEDSA-N 2 1 324.472 3.006 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@@H+]1C ZINC000344626712 433874105 /nfs/dbraw/zinc/87/41/05/433874105.db2.gz KSNXNIFWOUNWOU-VSVYTNTFSA-N 2 1 302.462 3.491 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC[N@H+]1C ZINC000344626712 433874110 /nfs/dbraw/zinc/87/41/10/433874110.db2.gz KSNXNIFWOUNWOU-VSVYTNTFSA-N 2 1 302.462 3.491 20 0 DGADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773772 433826517 /nfs/dbraw/zinc/82/65/17/433826517.db2.gz XSZRLAUVLPRGPB-GASCZTMLSA-N 2 1 315.848 3.320 20 0 DGADMP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776383 433828657 /nfs/dbraw/zinc/82/86/57/433828657.db2.gz HFRKQANQNOVSRI-CABCVRRESA-N 2 1 305.491 3.232 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432447818 433828790 /nfs/dbraw/zinc/82/87/90/433828790.db2.gz QRTOAZYEGUYQSH-FXAWDEMLSA-N 2 1 316.489 3.463 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414779886 433829104 /nfs/dbraw/zinc/82/91/04/433829104.db2.gz KVAHPWLDHRHUOW-LSDHHAIUSA-N 2 1 308.853 3.170 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776332 433830540 /nfs/dbraw/zinc/83/05/40/433830540.db2.gz HBEJQYTVLMYUAR-ZWKOTPCHSA-N 2 1 302.462 3.297 20 0 DGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776329 433830711 /nfs/dbraw/zinc/83/07/11/433830711.db2.gz HBEJQYTVLMYUAR-MSOLQXFVSA-N 2 1 302.462 3.297 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778968 433831004 /nfs/dbraw/zinc/83/10/04/433831004.db2.gz JUUQNIOCSYQFKN-ROUUACIJSA-N 2 1 324.472 3.002 20 0 DGADMP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776385 433831063 /nfs/dbraw/zinc/83/10/63/433831063.db2.gz HFRKQANQNOVSRI-HUUCEWRRSA-N 2 1 305.491 3.232 20 0 DGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778966 433831218 /nfs/dbraw/zinc/83/12/18/433831218.db2.gz JUUQNIOCSYQFKN-MSOLQXFVSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788481 433836389 /nfs/dbraw/zinc/83/63/89/433836389.db2.gz WOGWOYLVIGQDDZ-DLBZAZTESA-N 2 1 318.509 3.076 20 0 DGADMP CC[NH+](CC)CCC[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000375975584 293597277 /nfs/dbraw/zinc/59/72/77/293597277.db2.gz RRJRBTGVDIERPS-UHFFFAOYSA-N 2 1 319.493 3.303 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C1CC1 ZINC000414794917 433839555 /nfs/dbraw/zinc/83/95/55/433839555.db2.gz GFFWZNNCOWZEBB-LJQANCHMSA-N 2 1 314.404 3.232 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn[nH]c1 ZINC000284160511 433851544 /nfs/dbraw/zinc/85/15/44/433851544.db2.gz PUKNITGDECRWHC-HNNXBMFYSA-N 2 1 324.428 3.486 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414809648 433853113 /nfs/dbraw/zinc/85/31/13/433853113.db2.gz MNFLKTCGLHXUJM-UHFFFAOYSA-N 2 1 306.841 3.337 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293750782 433855440 /nfs/dbraw/zinc/85/54/40/433855440.db2.gz WTWSOPBBFGWJQX-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293750782 433855447 /nfs/dbraw/zinc/85/54/47/433855447.db2.gz WTWSOPBBFGWJQX-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293750782 433855453 /nfs/dbraw/zinc/85/54/53/433855453.db2.gz WTWSOPBBFGWJQX-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293750782 433855460 /nfs/dbraw/zinc/85/54/60/433855460.db2.gz WTWSOPBBFGWJQX-HXUWFJFHSA-N 2 1 324.472 3.303 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414810865 433855488 /nfs/dbraw/zinc/85/54/88/433855488.db2.gz OWQVHBLGVMUEQL-UHFFFAOYSA-N 2 1 323.912 3.412 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414815903 433857573 /nfs/dbraw/zinc/85/75/73/433857573.db2.gz YUTGBOQEAUEPNA-UHFFFAOYSA-N 2 1 323.912 3.412 20 0 DGADMP C[C@@H](c1cccs1)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357079638 433857787 /nfs/dbraw/zinc/85/77/87/433857787.db2.gz MLNFFDHEAAZMCW-HNNXBMFYSA-N 2 1 304.459 3.287 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCc2ccccc2F)c1)C1CC1 ZINC000414815008 433859746 /nfs/dbraw/zinc/85/97/46/433859746.db2.gz ZSEPJYMOOOQETM-IBGZPJMESA-N 2 1 314.404 3.232 20 0 DGADMP Cc1cc(Br)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000414826771 433863114 /nfs/dbraw/zinc/86/31/14/433863114.db2.gz WNEVLZILPQYVSF-WDEREUQCSA-N 2 1 317.296 3.297 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414831608 433867948 /nfs/dbraw/zinc/86/79/48/433867948.db2.gz CTCDMYBRLVIZAF-DOMZBBRYSA-N 2 1 313.283 3.343 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414839003 433872239 /nfs/dbraw/zinc/87/22/39/433872239.db2.gz LGAFKLRVKNDCEU-HZPDHXFCSA-N 2 1 319.493 3.490 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422635173 433935320 /nfs/dbraw/zinc/93/53/20/433935320.db2.gz LBJJWKLYUBOOCP-KEYYUXOJSA-N 2 1 313.445 3.455 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422635173 433935329 /nfs/dbraw/zinc/93/53/29/433935329.db2.gz LBJJWKLYUBOOCP-KEYYUXOJSA-N 2 1 313.445 3.455 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000352087837 433904565 /nfs/dbraw/zinc/90/45/65/433904565.db2.gz RUGCNCOYXQSPFR-KRWDZBQOSA-N 2 1 324.468 3.361 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000352087837 433904572 /nfs/dbraw/zinc/90/45/72/433904572.db2.gz RUGCNCOYXQSPFR-KRWDZBQOSA-N 2 1 324.468 3.361 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414955242 433935345 /nfs/dbraw/zinc/93/53/45/433935345.db2.gz OBLYZUYENRFESS-YDHLFZDLSA-N 2 1 323.868 3.096 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414900225 433907704 /nfs/dbraw/zinc/90/77/04/433907704.db2.gz IAVJZKHDYGMVIZ-HNNXBMFYSA-N 2 1 317.260 3.481 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436230019 433910603 /nfs/dbraw/zinc/91/06/03/433910603.db2.gz GQDAXFHTOUISGH-CQSZACIVSA-N 2 1 318.490 3.348 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357226443 433916778 /nfs/dbraw/zinc/91/67/78/433916778.db2.gz CLHVSQYSWGDFSQ-UHOSZYNNSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@H](CO)c1ccccc1 ZINC000436262597 433921364 /nfs/dbraw/zinc/92/13/64/433921364.db2.gz QQMQPOXCUICQST-LJQANCHMSA-N 2 1 307.397 3.038 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000422562418 433923211 /nfs/dbraw/zinc/92/32/11/433923211.db2.gz PZOATLOGYFWRGR-IPYPFGDCSA-N 2 1 312.404 3.136 20 0 DGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1SC ZINC000422563865 433923874 /nfs/dbraw/zinc/92/38/74/433923874.db2.gz UQAZOTFIPFTMKD-NFAWXSAZSA-N 2 1 308.491 3.222 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000436294266 433927646 /nfs/dbraw/zinc/92/76/46/433927646.db2.gz FYUDQLVQLOQQCG-DLBZAZTESA-N 2 1 305.466 3.080 20 0 DGADMP Clc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414841175 433879850 /nfs/dbraw/zinc/87/98/50/433879850.db2.gz YXVPZEZAESOPSZ-JTQLQIEISA-N 2 1 317.658 3.192 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414854115 433882162 /nfs/dbraw/zinc/88/21/62/433882162.db2.gz UKZFBBPENDHBDU-LLVKDONJSA-N 2 1 306.784 3.404 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293823452 433883475 /nfs/dbraw/zinc/88/34/75/433883475.db2.gz WMXTYNGSGJJHIJ-SQWLQELKSA-N 2 1 316.424 3.145 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293823452 433883484 /nfs/dbraw/zinc/88/34/84/433883484.db2.gz WMXTYNGSGJJHIJ-SQWLQELKSA-N 2 1 316.424 3.145 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414854797 433885058 /nfs/dbraw/zinc/88/50/58/433885058.db2.gz VNKWXCFXUZQWLH-ZDUSSCGKSA-N 2 1 304.356 3.091 20 0 DGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704381 433941618 /nfs/dbraw/zinc/94/16/18/433941618.db2.gz PODLXYUBXUTUMA-DNVCBOLYSA-N 2 1 322.456 3.044 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000352151260 433942308 /nfs/dbraw/zinc/94/23/08/433942308.db2.gz PIVQDPZALSWTEG-NIFLVVHWSA-N 2 1 302.462 3.168 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709935 433945186 /nfs/dbraw/zinc/94/51/86/433945186.db2.gz ZXYAYFSJDFODBY-IUODEOHRSA-N 2 1 312.379 3.325 20 0 DGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000414975055 433948465 /nfs/dbraw/zinc/94/84/65/433948465.db2.gz FQGUDTQDVLOFQB-MRXNPFEDSA-N 2 1 314.429 3.198 20 0 DGADMP Cc1[nH+]ccc(N2CC[NH+](CCc3ccccc3)CC2)c1Cl ZINC000357321764 433948907 /nfs/dbraw/zinc/94/89/07/433948907.db2.gz GRKGFHWOMASYCL-UHFFFAOYSA-N 2 1 315.848 3.408 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414980910 433953091 /nfs/dbraw/zinc/95/30/91/433953091.db2.gz XHKRGSWKOFCRFU-ZDUSSCGKSA-N 2 1 315.230 3.066 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414982121 433953773 /nfs/dbraw/zinc/95/37/73/433953773.db2.gz YKUFAAYFQWCHEH-CYBMUJFWSA-N 2 1 315.230 3.066 20 0 DGADMP C[C@H](NC(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422730635 433953985 /nfs/dbraw/zinc/95/39/85/433953985.db2.gz MKJWUCGJHKLRRM-BQFCYCMXSA-N 2 1 303.494 3.094 20 0 DGADMP CC1CCN([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000422730977 433954218 /nfs/dbraw/zinc/95/42/18/433954218.db2.gz GAFLBBUBOPMQHF-HSALFYBXSA-N 2 1 315.505 3.177 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414987212 433958519 /nfs/dbraw/zinc/95/85/19/433958519.db2.gz DJANLCUVZRYQRR-RTBURBONSA-N 3 1 317.521 3.252 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414987212 433958526 /nfs/dbraw/zinc/95/85/26/433958526.db2.gz DJANLCUVZRYQRR-RTBURBONSA-N 2 1 317.521 3.252 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422735642 433961343 /nfs/dbraw/zinc/96/13/43/433961343.db2.gz WLLHBXUIPGRCMN-ZIAGYGMSSA-N 2 1 316.367 3.377 20 0 DGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000422740471 433965981 /nfs/dbraw/zinc/96/59/81/433965981.db2.gz BWHLOAGEDIDFPQ-XHSDSOJGSA-N 2 1 309.523 3.237 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422747637 433970042 /nfs/dbraw/zinc/97/00/42/433970042.db2.gz ZDTHYJBTPMFZPB-XUVXKRRUSA-N 3 1 315.505 3.149 20 0 DGADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422747637 433970052 /nfs/dbraw/zinc/97/00/52/433970052.db2.gz ZDTHYJBTPMFZPB-XUVXKRRUSA-N 2 1 315.505 3.149 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422747637 433970062 /nfs/dbraw/zinc/97/00/62/433970062.db2.gz ZDTHYJBTPMFZPB-XUVXKRRUSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751030 433970896 /nfs/dbraw/zinc/97/08/96/433970896.db2.gz BVHUUMVRVIHIBD-ZIFCJYIRSA-N 2 1 317.521 3.045 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cc2cccnc21)C1CCCC1 ZINC000415072374 433973972 /nfs/dbraw/zinc/97/39/72/433973972.db2.gz XZQABSFGWNASML-MRXNPFEDSA-N 2 1 303.837 3.495 20 0 DGADMP C[N@@H+](CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757565 433975741 /nfs/dbraw/zinc/97/57/41/433975741.db2.gz JRFZESSHLPEKPW-NHCUHLMSSA-N 2 1 323.484 3.201 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000422752714 433978881 /nfs/dbraw/zinc/97/88/81/433978881.db2.gz FFGQWBCWLMAPQE-LSDHHAIUSA-N 2 1 318.509 3.010 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000422752714 433978892 /nfs/dbraw/zinc/97/88/92/433978892.db2.gz FFGQWBCWLMAPQE-LSDHHAIUSA-N 2 1 318.509 3.010 20 0 DGADMP CCOc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1OCC ZINC000422760411 433979814 /nfs/dbraw/zinc/97/98/14/433979814.db2.gz MDTMMRVJLQYVQO-DOTOQJQBSA-N 2 1 320.477 3.147 20 0 DGADMP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1c[nH+]ccc1N ZINC000422762117 433982777 /nfs/dbraw/zinc/98/27/77/433982777.db2.gz NNTICDHBPCCPEH-SJCJKPOMSA-N 2 1 318.852 3.101 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422765647 433985197 /nfs/dbraw/zinc/98/51/97/433985197.db2.gz QNKBWVFIVFGQHU-RHQZKXFESA-N 2 1 321.553 3.253 20 0 DGADMP Cc1ccncc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767447 433988134 /nfs/dbraw/zinc/98/81/34/433988134.db2.gz HRYISMZXDOJVKX-PZJWPPBQSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767447 433988145 /nfs/dbraw/zinc/98/81/45/433988145.db2.gz HRYISMZXDOJVKX-PZJWPPBQSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767447 433988158 /nfs/dbraw/zinc/98/81/58/433988158.db2.gz HRYISMZXDOJVKX-PZJWPPBQSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1ccncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767447 433988169 /nfs/dbraw/zinc/98/81/69/433988169.db2.gz HRYISMZXDOJVKX-PZJWPPBQSA-N 2 1 321.468 3.344 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCCC(C)C ZINC000414957274 433936300 /nfs/dbraw/zinc/93/63/00/433936300.db2.gz VZWSGHZJZJSDNV-DOTOQJQBSA-N 2 1 320.477 3.350 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000422695041 433936779 /nfs/dbraw/zinc/93/67/79/433936779.db2.gz OXOLXQSHHMMVQL-AVGNSLFASA-N 2 1 311.267 3.488 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414961470 433938385 /nfs/dbraw/zinc/93/83/85/433938385.db2.gz ZCAPQPVPRGCXPU-ZBFHGGJFSA-N 2 1 306.450 3.104 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414959340 433938644 /nfs/dbraw/zinc/93/86/44/433938644.db2.gz SXIKWQGNEYMESP-JMSVASOKSA-N 2 1 300.368 3.367 20 0 DGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422792958 434005169 /nfs/dbraw/zinc/00/51/69/434005169.db2.gz FFHVNVRBTNXDEI-KBPBESRZSA-N 2 1 302.340 3.335 20 0 DGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000304450907 434010216 /nfs/dbraw/zinc/01/02/16/434010216.db2.gz VSADPSYNHZLSHB-LJQANCHMSA-N 2 1 314.477 3.019 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)c2C1 ZINC000345936251 434010333 /nfs/dbraw/zinc/01/03/33/434010333.db2.gz OPCXUEATEQAMTR-GJZGRUSLSA-N 2 1 315.461 3.224 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)c2C1 ZINC000345936251 434010340 /nfs/dbraw/zinc/01/03/40/434010340.db2.gz OPCXUEATEQAMTR-GJZGRUSLSA-N 2 1 315.461 3.224 20 0 DGADMP C[N@@H+]1CC[C@H](N[C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246957 434012605 /nfs/dbraw/zinc/01/26/05/434012605.db2.gz ZGCWLPHYEDSKME-ZCNNSNEGSA-N 2 1 310.441 3.145 20 0 DGADMP C[N@H+]1CC[C@H](N[C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246957 434012614 /nfs/dbraw/zinc/01/26/14/434012614.db2.gz ZGCWLPHYEDSKME-ZCNNSNEGSA-N 2 1 310.441 3.145 20 0 DGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841191 434014841 /nfs/dbraw/zinc/01/48/41/434014841.db2.gz ZMKUVFKBVNTAQM-HIFRSBDPSA-N 2 1 307.507 3.357 20 0 DGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841191 434014853 /nfs/dbraw/zinc/01/48/53/434014853.db2.gz ZMKUVFKBVNTAQM-HIFRSBDPSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841191 434014865 /nfs/dbraw/zinc/01/48/65/434014865.db2.gz ZMKUVFKBVNTAQM-HIFRSBDPSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(C(C)(C)C)s2)C1 ZINC000377841191 434014873 /nfs/dbraw/zinc/01/48/73/434014873.db2.gz ZMKUVFKBVNTAQM-HIFRSBDPSA-N 2 1 307.507 3.357 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340257065 434019274 /nfs/dbraw/zinc/01/92/74/434019274.db2.gz JSFRETHEWIYFPT-IAGOWNOFSA-N 2 1 318.461 3.143 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340257065 434019286 /nfs/dbraw/zinc/01/92/86/434019286.db2.gz JSFRETHEWIYFPT-IAGOWNOFSA-N 2 1 318.461 3.143 20 0 DGADMP Cc1cccc(Oc2cc(C[NH2+][C@H](C)C3C[NH2+]C3)ccn2)c1C ZINC000422809475 434019222 /nfs/dbraw/zinc/01/92/22/434019222.db2.gz PWTQIXYPATZEHD-OAHLLOKOSA-N 2 1 311.429 3.188 20 0 DGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(C[NH+](C)C)c1 ZINC000422809419 434019750 /nfs/dbraw/zinc/01/97/50/434019750.db2.gz PRIFTWOUGLZEEK-APWZRJJASA-N 2 1 303.494 3.149 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422806693 434019919 /nfs/dbraw/zinc/01/99/19/434019919.db2.gz LANVNADORMWOHP-NQYYFHDYSA-N 2 1 302.462 3.050 20 0 DGADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840447 434046758 /nfs/dbraw/zinc/04/67/58/434046758.db2.gz SYGXCIPQWXEEDU-NUJGCVRESA-N 2 1 321.534 3.080 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000377884746 434028584 /nfs/dbraw/zinc/02/85/84/434028584.db2.gz PINOIXODOAKFKE-OAHLLOKOSA-N 2 1 307.507 3.430 20 0 DGADMP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCCN1 ZINC000422841550 434047083 /nfs/dbraw/zinc/04/70/83/434047083.db2.gz WKFHLSSJSWTKAL-MOPGFXCFSA-N 2 1 309.542 3.255 20 0 DGADMP CC[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831079 434035505 /nfs/dbraw/zinc/03/55/05/434035505.db2.gz WFJKYRLWTYDWKF-UHOSZYNNSA-N 2 1 303.494 3.017 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1c[nH+]ccc1N ZINC000422829866 434037114 /nfs/dbraw/zinc/03/71/14/434037114.db2.gz CCCCHOHQFXVQEM-TZMCWYRMSA-N 2 1 316.836 3.077 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C[C@H]1c1ccccc1 ZINC000340287293 434038575 /nfs/dbraw/zinc/03/85/75/434038575.db2.gz ZIOQCASFGJTQBM-ROUUACIJSA-N 2 1 304.478 3.210 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C[C@H]1c1ccccc1 ZINC000340287293 434038587 /nfs/dbraw/zinc/03/85/87/434038587.db2.gz ZIOQCASFGJTQBM-ROUUACIJSA-N 2 1 304.478 3.210 20 0 DGADMP CC(C)CC[NH+]1CCC(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422838675 434040494 /nfs/dbraw/zinc/04/04/94/434040494.db2.gz OWBYQXBGNKBSSS-UXHICEINSA-N 2 1 315.505 3.479 20 0 DGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422838675 434040503 /nfs/dbraw/zinc/04/05/03/434040503.db2.gz OWBYQXBGNKBSSS-UXHICEINSA-N 2 1 315.505 3.479 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839042 434041977 /nfs/dbraw/zinc/04/19/77/434041977.db2.gz PONUWTKWCVIQOX-VXGBXAGGSA-N 2 1 323.651 3.495 20 0 DGADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)nc1)Cc1ccco1 ZINC000285715013 434043780 /nfs/dbraw/zinc/04/37/80/434043780.db2.gz PTFZMQDKRQJLMB-UHFFFAOYSA-N 2 1 307.825 3.282 20 0 DGADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(Cl)cc1 ZINC000422787773 433997859 /nfs/dbraw/zinc/99/78/59/433997859.db2.gz QIZYAUOQKGOZEX-BDJLRTHQSA-N 2 1 305.809 3.186 20 0 DGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCOc2ccc(F)cc2)c2ccccc21 ZINC000422788573 433998626 /nfs/dbraw/zinc/99/86/26/433998626.db2.gz VOHKTVPJNTTYBL-MSOLQXFVSA-N 2 1 300.377 3.329 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422791704 434002827 /nfs/dbraw/zinc/00/28/27/434002827.db2.gz CWERROXZHIWCFD-WCIQWLHISA-N 2 1 319.537 3.151 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422866864 434066666 /nfs/dbraw/zinc/06/66/66/434066666.db2.gz RANQUCHXLUWQTD-RTBURBONSA-N 2 1 303.494 3.276 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422866864 434066675 /nfs/dbraw/zinc/06/66/75/434066675.db2.gz RANQUCHXLUWQTD-RTBURBONSA-N 3 1 303.494 3.276 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422866864 434066685 /nfs/dbraw/zinc/06/66/85/434066685.db2.gz RANQUCHXLUWQTD-RTBURBONSA-N 3 1 303.494 3.276 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422866190 434067328 /nfs/dbraw/zinc/06/73/28/434067328.db2.gz QALRBEZCWMEWCY-GJZGRUSLSA-N 3 1 300.450 3.349 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)cc2)C1 ZINC000422867208 434067363 /nfs/dbraw/zinc/06/73/63/434067363.db2.gz RVIIIIWRRSWPPY-MBOZVWFJSA-N 2 1 315.505 3.006 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422876007 434070424 /nfs/dbraw/zinc/07/04/24/434070424.db2.gz FSTUMSYRALMFRA-YSTOQKLRSA-N 3 1 321.553 3.399 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881442 434075509 /nfs/dbraw/zinc/07/55/09/434075509.db2.gz NPPVHOJKKORPHD-LZQZEXGQSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881442 434075516 /nfs/dbraw/zinc/07/55/16/434075516.db2.gz NPPVHOJKKORPHD-LZQZEXGQSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422881442 434075520 /nfs/dbraw/zinc/07/55/20/434075520.db2.gz NPPVHOJKKORPHD-LZQZEXGQSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422881442 434075528 /nfs/dbraw/zinc/07/55/28/434075528.db2.gz NPPVHOJKKORPHD-LZQZEXGQSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000422881442 434075537 /nfs/dbraw/zinc/07/55/37/434075537.db2.gz NPPVHOJKKORPHD-LZQZEXGQSA-N 2 1 301.478 3.233 20 0 DGADMP N[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878984 434075801 /nfs/dbraw/zinc/07/58/01/434075801.db2.gz LPVPCTHDUVGGME-ZWKOTPCHSA-N 2 1 321.896 3.021 20 0 DGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422884840 434083190 /nfs/dbraw/zinc/08/31/90/434083190.db2.gz FTUPMIGLQXZUJF-OLZOCXBDSA-N 2 1 303.381 3.228 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886539 434083959 /nfs/dbraw/zinc/08/39/59/434083959.db2.gz WWCHUCZFSMJBIC-PXTPFGJHSA-N 3 1 321.553 3.255 20 0 DGADMP C[C@H](CCCC[NH3+])[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422885508 434084292 /nfs/dbraw/zinc/08/42/92/434084292.db2.gz GVYDDJSLFDMFEA-OKZBNKHCSA-N 2 1 317.521 3.250 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340357862 434084363 /nfs/dbraw/zinc/08/43/63/434084363.db2.gz LJYZKCQMLDESHB-GBESFXJTSA-N 2 1 314.473 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340357862 434084376 /nfs/dbraw/zinc/08/43/76/434084376.db2.gz LJYZKCQMLDESHB-GBESFXJTSA-N 2 1 314.473 3.228 20 0 DGADMP CN1CC[C@H]([NH2+][C@H](CCO)c2ccco2)C[C@H]1c1ccccc1 ZINC000340362154 434088337 /nfs/dbraw/zinc/08/83/37/434088337.db2.gz NOGAOYZKKOEWNC-KSZLIROESA-N 2 1 314.429 3.128 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000353380001 434089423 /nfs/dbraw/zinc/08/94/23/434089423.db2.gz ASABQFMLVBHVMJ-XHSDSOJGSA-N 2 1 320.477 3.419 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000353380001 434089431 /nfs/dbraw/zinc/08/94/31/434089431.db2.gz ASABQFMLVBHVMJ-XHSDSOJGSA-N 2 1 320.477 3.419 20 0 DGADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422895539 434092121 /nfs/dbraw/zinc/09/21/21/434092121.db2.gz FZVNTLBYUJAAGN-XLIONFOSSA-N 2 1 315.505 3.067 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000285863163 434092192 /nfs/dbraw/zinc/09/21/92/434092192.db2.gz YNDVHXTWPZDMPC-CQSZACIVSA-N 2 1 318.461 3.290 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309756402 434095338 /nfs/dbraw/zinc/09/53/38/434095338.db2.gz XCPUALUHGPOZKP-CEXWTWQISA-N 2 1 302.462 3.056 20 0 DGADMP C[N@@H+](CCC[NH2+][C@H]1CC(C)(C)OC1(C)C)Cc1ccccc1 ZINC000309569833 434096016 /nfs/dbraw/zinc/09/60/16/434096016.db2.gz JRQQKPKLDKBSQK-KRWDZBQOSA-N 2 1 304.478 3.444 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000294347926 434096176 /nfs/dbraw/zinc/09/61/76/434096176.db2.gz SKFBTHTWUQMVGX-CYBMUJFWSA-N 2 1 312.404 3.272 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161557 434097574 /nfs/dbraw/zinc/09/75/74/434097574.db2.gz RDDSDNPPAPRTQL-VAMGGRTRSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000378161557 434097579 /nfs/dbraw/zinc/09/75/79/434097579.db2.gz RDDSDNPPAPRTQL-VAMGGRTRSA-N 2 1 321.553 3.447 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000378161557 434097588 /nfs/dbraw/zinc/09/75/88/434097588.db2.gz RDDSDNPPAPRTQL-VAMGGRTRSA-N 2 1 321.553 3.447 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363616963 434099383 /nfs/dbraw/zinc/09/93/83/434099383.db2.gz ZQSNSCJOVBSCAM-ROUUACIJSA-N 2 1 310.445 3.102 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363616963 434099386 /nfs/dbraw/zinc/09/93/86/434099386.db2.gz ZQSNSCJOVBSCAM-ROUUACIJSA-N 2 1 310.445 3.102 20 0 DGADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000285718553 434049833 /nfs/dbraw/zinc/04/98/33/434049833.db2.gz WUISXHAUBHTIGK-MISYRCLQSA-N 2 1 314.473 3.152 20 0 DGADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(F)c1 ZINC000422846047 434050738 /nfs/dbraw/zinc/05/07/38/434050738.db2.gz DQADZWDMTHFBDW-TZMCWYRMSA-N 2 1 303.381 3.141 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858101 434055508 /nfs/dbraw/zinc/05/55/08/434055508.db2.gz IJPIRQJFLREKFZ-LPHOPBHVSA-N 2 1 303.494 3.147 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852771 434057085 /nfs/dbraw/zinc/05/70/85/434057085.db2.gz BHHAEZAHFQKGBN-HLIPFELVSA-N 2 1 315.505 3.291 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310006290 434106505 /nfs/dbraw/zinc/10/65/05/434106505.db2.gz HUJPSUHHRQUCTL-HKUYNNGSSA-N 3 1 303.494 3.006 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310006290 434106510 /nfs/dbraw/zinc/10/65/10/434106510.db2.gz HUJPSUHHRQUCTL-HKUYNNGSSA-N 2 1 303.494 3.006 20 0 DGADMP FC(F)(F)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979840 434106725 /nfs/dbraw/zinc/10/67/25/434106725.db2.gz UGWCSQBQGPFQLS-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979840 434106735 /nfs/dbraw/zinc/10/67/35/434106735.db2.gz UGWCSQBQGPFQLS-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979840 434106745 /nfs/dbraw/zinc/10/67/45/434106745.db2.gz UGWCSQBQGPFQLS-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309979840 434106749 /nfs/dbraw/zinc/10/67/49/434106749.db2.gz UGWCSQBQGPFQLS-HZPDHXFCSA-N 2 1 312.379 3.393 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422916689 434109348 /nfs/dbraw/zinc/10/93/48/434109348.db2.gz BJFWQARIJBDTJF-RCCFBDPRSA-N 2 1 300.377 3.248 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000310485336 434112153 /nfs/dbraw/zinc/11/21/53/434112153.db2.gz MRDHXEYIQYVMTP-MTQWCTHYSA-N 2 1 316.489 3.158 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(Cl)c1 ZINC000422926069 434112074 /nfs/dbraw/zinc/11/20/74/434112074.db2.gz WCSZYXCSVWQWOJ-RYUDHWBXSA-N 2 1 305.809 3.266 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422921175 434112808 /nfs/dbraw/zinc/11/28/08/434112808.db2.gz NORZLARRPRGMRC-GJYPPUQNSA-N 2 1 301.478 3.471 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000422929275 434118439 /nfs/dbraw/zinc/11/84/39/434118439.db2.gz PBPISSCOTWQKSS-BPQIPLTHSA-N 2 1 306.425 3.235 20 0 DGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnc2ccccc2c1 ZINC000422911017 434101565 /nfs/dbraw/zinc/10/15/65/434101565.db2.gz JVBPFHRHFLJDAK-QRWLVFNGSA-N 2 1 305.425 3.283 20 0 DGADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000501465769 294141800 /nfs/dbraw/zinc/14/18/00/294141800.db2.gz GZKPBENQLGBIMA-MRXNPFEDSA-N 2 1 304.478 3.468 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000502272491 294160908 /nfs/dbraw/zinc/16/09/08/294160908.db2.gz HYPHOFRGPDBDMU-MRXNPFEDSA-N 2 1 302.462 3.175 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000502272491 294160913 /nfs/dbraw/zinc/16/09/13/294160913.db2.gz HYPHOFRGPDBDMU-MRXNPFEDSA-N 2 1 302.462 3.175 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCOCC3CCCC3)CC2)cc1 ZINC000313278297 434127329 /nfs/dbraw/zinc/12/73/29/434127329.db2.gz FUFQRCKDTSWTAM-UHFFFAOYSA-N 2 1 316.489 3.447 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC000503896448 294204090 /nfs/dbraw/zinc/20/40/90/294204090.db2.gz YUDAVCSDUBYJCE-KOMQPUFPSA-N 2 1 306.425 3.154 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1F ZINC000503914839 294204763 /nfs/dbraw/zinc/20/47/63/294204763.db2.gz ZLWLCBZESAOZHN-HNKHHVNMSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1F ZINC000503914839 294204766 /nfs/dbraw/zinc/20/47/66/294204766.db2.gz ZLWLCBZESAOZHN-HNKHHVNMSA-N 2 1 306.425 3.153 20 0 DGADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000509966221 294369926 /nfs/dbraw/zinc/36/99/26/294369926.db2.gz FNJQSXXHVSHEIC-PZBSJLNOSA-N 2 1 314.473 3.453 20 0 DGADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000509966219 294370293 /nfs/dbraw/zinc/37/02/93/294370293.db2.gz FNJQSXXHVSHEIC-OHMJOTAUSA-N 2 1 314.473 3.453 20 0 DGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000314131791 434138608 /nfs/dbraw/zinc/13/86/08/434138608.db2.gz KKDJLZVIWQGGBC-GFCCVEGCSA-N 2 1 322.250 3.466 20 0 DGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000422992179 434152819 /nfs/dbraw/zinc/15/28/19/434152819.db2.gz QVHCIZCXWKKMDO-RDJZCZTQSA-N 2 1 318.461 3.248 20 0 DGADMP C[C@H](CCC[NH3+])[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422999997 434159472 /nfs/dbraw/zinc/15/94/72/434159472.db2.gz GLSYRJRXBBURRT-AOIWGVFYSA-N 3 1 303.494 3.004 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005119 434162029 /nfs/dbraw/zinc/16/20/29/434162029.db2.gz QUNXVRQQXDLUJU-GSEOLPGOSA-N 3 1 315.505 3.004 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000423006860 434163259 /nfs/dbraw/zinc/16/32/59/434163259.db2.gz PGEYCAOXZNXIMU-OAHLLOKOSA-N 3 1 306.498 3.008 20 0 DGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000423011111 434168509 /nfs/dbraw/zinc/16/85/09/434168509.db2.gz ZAEOAINWZXOQGZ-CEXWTWQISA-N 3 1 309.542 3.396 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423024418 434171114 /nfs/dbraw/zinc/17/11/14/434171114.db2.gz JGCBFFZJPKKLEM-GDBMZVCRSA-N 2 1 316.445 3.305 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340514658 434176454 /nfs/dbraw/zinc/17/64/54/434176454.db2.gz KKHOMWHONLNPBT-XMTFNYHQSA-N 2 1 306.494 3.046 20 0 DGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450439802 434179991 /nfs/dbraw/zinc/17/99/91/434179991.db2.gz OLABCSRMWUDKGG-UXHICEINSA-N 2 1 316.489 3.052 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423047082 434186491 /nfs/dbraw/zinc/18/64/91/434186491.db2.gz USFRYRANDWEKEW-JMSVASOKSA-N 2 1 300.368 3.367 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC[NH2+]2)cc1 ZINC000423045362 434186513 /nfs/dbraw/zinc/18/65/13/434186513.db2.gz CTSJMRLVHFQWOU-YRXWBPOGSA-N 2 1 300.446 3.027 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000286190763 434191470 /nfs/dbraw/zinc/19/14/70/434191470.db2.gz RHHFTLHJUNWCAM-ZDUSSCGKSA-N 2 1 324.490 3.450 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCO2 ZINC000423050503 434194133 /nfs/dbraw/zinc/19/41/33/434194133.db2.gz LWZOIRWRXQODLJ-DDBAPUKQSA-N 2 1 316.445 3.029 20 0 DGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423052794 434194911 /nfs/dbraw/zinc/19/49/11/434194911.db2.gz RESGJKWZKRKLLN-RBUKOAKNSA-N 2 1 314.404 3.374 20 0 DGADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000286200318 434196112 /nfs/dbraw/zinc/19/61/12/434196112.db2.gz RPOFBHFVKCESSX-INIZCTEOSA-N 2 1 313.445 3.181 20 0 DGADMP CCC1(CC)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423068960 434201754 /nfs/dbraw/zinc/20/17/54/434201754.db2.gz KYJUVHZSEIQQOZ-KSZLIROESA-N 2 1 308.510 3.482 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000353531801 434202966 /nfs/dbraw/zinc/20/29/66/434202966.db2.gz PIAUXEBPODVNQT-GRDNDAEWSA-N 2 1 320.477 3.016 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000353531801 434202973 /nfs/dbraw/zinc/20/29/73/434202973.db2.gz PIAUXEBPODVNQT-GRDNDAEWSA-N 2 1 320.477 3.016 20 0 DGADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423081509 434209884 /nfs/dbraw/zinc/20/98/84/434209884.db2.gz VBCSHDZGUFDCKC-ZEWNOJEFSA-N 2 1 324.468 3.351 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437063932 434210456 /nfs/dbraw/zinc/21/04/56/434210456.db2.gz GRRBXWBXCVQALI-CXAGYDPISA-N 2 1 319.880 3.304 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423088791 434215039 /nfs/dbraw/zinc/21/50/39/434215039.db2.gz SVZDHTHPYOHOQB-FHWLQOOXSA-N 2 1 315.505 3.190 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000353572642 434240157 /nfs/dbraw/zinc/24/01/57/434240157.db2.gz YNCKOPSCYJULOR-JKSUJKDBSA-N 2 1 322.493 3.262 20 0 DGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000353572642 434240164 /nfs/dbraw/zinc/24/01/64/434240164.db2.gz YNCKOPSCYJULOR-JKSUJKDBSA-N 2 1 322.493 3.262 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423137169 434241847 /nfs/dbraw/zinc/24/18/47/434241847.db2.gz HUURFCYOWAJMKB-UIBBOPPKSA-N 2 1 323.278 3.425 20 0 DGADMP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000295178915 434242494 /nfs/dbraw/zinc/24/24/94/434242494.db2.gz VJWYDJFBMJFBOV-YTQUADARSA-N 2 1 304.478 3.302 20 0 DGADMP CSc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423142679 434244734 /nfs/dbraw/zinc/24/47/34/434244734.db2.gz BDYCGTSRVILGQB-JQHSSLGASA-N 2 1 321.534 3.118 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H]1C ZINC000321029106 434246887 /nfs/dbraw/zinc/24/68/87/434246887.db2.gz CNVRYFFMIBILGG-LMCOJAPRSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H]1C ZINC000321029106 434246897 /nfs/dbraw/zinc/24/68/97/434246897.db2.gz CNVRYFFMIBILGG-LMCOJAPRSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)CCn1nc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423150968 434249450 /nfs/dbraw/zinc/24/94/50/434249450.db2.gz JLXGTDKINZDAHN-HZPDHXFCSA-N 2 1 314.477 3.170 20 0 DGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423155054 434253809 /nfs/dbraw/zinc/25/38/09/434253809.db2.gz ISRGFHWHEQLDED-BFHYXJOUSA-N 2 1 313.367 3.111 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC000450544889 434254914 /nfs/dbraw/zinc/25/49/14/434254914.db2.gz SFFDSNBJILIILW-LJQANCHMSA-N 2 1 321.428 3.033 20 0 DGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000379655609 434259747 /nfs/dbraw/zinc/25/97/47/434259747.db2.gz MFADDMMKDWQIPT-BHIYHBOVSA-N 2 1 304.478 3.444 20 0 DGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000379655609 434259752 /nfs/dbraw/zinc/25/97/52/434259752.db2.gz MFADDMMKDWQIPT-BHIYHBOVSA-N 2 1 304.478 3.444 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000423167084 434260295 /nfs/dbraw/zinc/26/02/95/434260295.db2.gz WHLMTSLSLNXSRU-OBZYLPMUSA-N 2 1 324.468 3.489 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423175076 434261032 /nfs/dbraw/zinc/26/10/32/434261032.db2.gz CVRRRXHUQHWESR-HNNXBMFYSA-N 2 1 315.461 3.126 20 0 DGADMP C[C@@H](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647913 434261836 /nfs/dbraw/zinc/26/18/36/434261836.db2.gz LIURXWHGKKCEBX-LNLFQRSKSA-N 2 1 303.494 3.017 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000423179710 434265176 /nfs/dbraw/zinc/26/51/76/434265176.db2.gz JUECXWJDWMJKAG-NEPJUHHUSA-N 2 1 303.631 3.072 20 0 DGADMP CSCc1cnc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000295239669 434271955 /nfs/dbraw/zinc/27/19/55/434271955.db2.gz DRHJCNOOKYAXSR-LLVKDONJSA-N 2 1 308.476 3.109 20 0 DGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423193864 434274934 /nfs/dbraw/zinc/27/49/34/434274934.db2.gz XGHQLOFAFOTSKD-GFCCVEGCSA-N 2 1 318.852 3.237 20 0 DGADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423117993 434227784 /nfs/dbraw/zinc/22/77/84/434227784.db2.gz YAGDWDQYNXXIIM-ZJIFWQFVSA-N 2 1 310.388 3.230 20 0 DGADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC1CCCC1 ZINC000358009132 434281629 /nfs/dbraw/zinc/28/16/29/434281629.db2.gz BVVIYFKMKGVNIJ-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000340672044 434284991 /nfs/dbraw/zinc/28/49/91/434284991.db2.gz RVLLZYKKDQWVHF-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000340672044 434284995 /nfs/dbraw/zinc/28/49/95/434284995.db2.gz RVLLZYKKDQWVHF-LJQANCHMSA-N 2 1 318.461 3.060 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423216364 434290358 /nfs/dbraw/zinc/29/03/58/434290358.db2.gz RUHLPMKONWYUSO-NWDGAFQWSA-N 2 1 302.340 3.235 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000423213503 434292437 /nfs/dbraw/zinc/29/24/37/434292437.db2.gz NHMJUYGKTPWBSV-WDEREUQCSA-N 2 1 315.230 3.238 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348386093 434293773 /nfs/dbraw/zinc/29/37/73/434293773.db2.gz OKQWFLKVVKZLPA-RTBURBONSA-N 3 1 320.525 3.462 20 0 DGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000358030444 434295654 /nfs/dbraw/zinc/29/56/54/434295654.db2.gz AMUSWNSABPLEPO-RTBURBONSA-N 2 1 304.478 3.432 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)cc(OC)c1 ZINC000340687205 434300944 /nfs/dbraw/zinc/30/09/44/434300944.db2.gz VWOQBVHXFVIBKS-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)cc(OC)c1 ZINC000340687205 434300953 /nfs/dbraw/zinc/30/09/53/434300953.db2.gz VWOQBVHXFVIBKS-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP [NH3+]C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000423229853 434301426 /nfs/dbraw/zinc/30/14/26/434301426.db2.gz HYKSQHDNGCASSZ-DAKUTMNPSA-N 3 1 313.489 3.042 20 0 DGADMP [NH3+]C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000423229853 434301432 /nfs/dbraw/zinc/30/14/32/434301432.db2.gz HYKSQHDNGCASSZ-DAKUTMNPSA-N 2 1 313.489 3.042 20 0 DGADMP CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348403138 434301741 /nfs/dbraw/zinc/30/17/41/434301741.db2.gz CPAGORCNHJTIDU-OQIJWPOYSA-N 2 1 302.462 3.054 20 0 DGADMP CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400661 434304169 /nfs/dbraw/zinc/30/41/69/434304169.db2.gz ARHJLFSWGZLHGM-QAPCUYQASA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400661 434304176 /nfs/dbraw/zinc/30/41/76/434304176.db2.gz ARHJLFSWGZLHGM-QAPCUYQASA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400661 434304187 /nfs/dbraw/zinc/30/41/87/434304187.db2.gz ARHJLFSWGZLHGM-QAPCUYQASA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1F ZINC000348400661 434304193 /nfs/dbraw/zinc/30/41/93/434304193.db2.gz ARHJLFSWGZLHGM-QAPCUYQASA-N 2 1 308.441 3.367 20 0 DGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358049985 434308748 /nfs/dbraw/zinc/30/87/48/434308748.db2.gz SMLGVBQQPLFSHD-QKLQHJQFSA-N 2 1 316.489 3.461 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Br)c1)C[NH+](C)C ZINC000386538859 434313227 /nfs/dbraw/zinc/31/32/27/434313227.db2.gz QVTPLIZYMWSHJN-MNOVXSKESA-N 2 1 317.246 3.437 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423259156 434318117 /nfs/dbraw/zinc/31/81/17/434318117.db2.gz DCJYLXFUTSHPNR-NSISKUIASA-N 2 1 315.505 3.004 20 0 DGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000423262938 434322502 /nfs/dbraw/zinc/32/25/02/434322502.db2.gz ABOILDAKUJDTFD-RNCFNFMXSA-N 2 1 303.219 3.222 20 0 DGADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000423263732 434322557 /nfs/dbraw/zinc/32/25/57/434322557.db2.gz OUSBZJKHBULUPL-SLFFLAALSA-N 2 1 315.505 3.319 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265808 434325301 /nfs/dbraw/zinc/32/53/01/434325301.db2.gz RJRMJHJNXZDRRB-FZKQIMNGSA-N 2 1 303.450 3.203 20 0 DGADMP CCCCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423271471 434329397 /nfs/dbraw/zinc/32/93/97/434329397.db2.gz HOSVCDLBWGNIDE-XJKSGUPXSA-N 2 1 306.450 3.262 20 0 DGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423276412 434334477 /nfs/dbraw/zinc/33/44/77/434334477.db2.gz OKDKKYGOOVEGMN-CHWSQXEVSA-N 2 1 320.868 3.340 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000388358851 434331839 /nfs/dbraw/zinc/33/18/39/434331839.db2.gz LJHBLNWKVLHHFR-JTDSTZFVSA-N 2 1 304.478 3.423 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423317145 434361838 /nfs/dbraw/zinc/36/18/38/434361838.db2.gz CIXJHHMQGUIFLP-CQSZACIVSA-N 2 1 318.465 3.092 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000423324858 434361949 /nfs/dbraw/zinc/36/19/49/434361949.db2.gz IJIDISMNUGRLFE-KDOFPFPSSA-N 2 1 315.461 3.127 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCO1 ZINC000390575616 434363043 /nfs/dbraw/zinc/36/30/43/434363043.db2.gz CZRSWWJIDCRJDI-YTQUADARSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCO1 ZINC000390575616 434363053 /nfs/dbraw/zinc/36/30/53/434363053.db2.gz CZRSWWJIDCRJDI-YTQUADARSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390627586 434365175 /nfs/dbraw/zinc/36/51/75/434365175.db2.gz DLJMCWAERRIBER-HKUYNNGSSA-N 3 1 317.521 3.394 20 0 DGADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390627586 434365186 /nfs/dbraw/zinc/36/51/86/434365186.db2.gz DLJMCWAERRIBER-HKUYNNGSSA-N 3 1 317.521 3.394 20 0 DGADMP CC[NH+]1CCC(N(C)Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000518198418 294708053 /nfs/dbraw/zinc/70/80/53/294708053.db2.gz YHWGKYSZXNMWLU-UHFFFAOYSA-N 2 1 314.477 3.374 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)s1 ZINC000423366681 434387436 /nfs/dbraw/zinc/38/74/36/434387436.db2.gz CTEYJCYGSDFCRD-BBBLOLIVSA-N 2 1 303.269 3.302 20 0 DGADMP C[C@@H](O)C[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353686008 434334943 /nfs/dbraw/zinc/33/49/43/434334943.db2.gz WJIBXCMZUWRNTJ-HEZAVNPASA-N 2 1 304.478 3.179 20 0 DGADMP CCn1nccc1C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000366104127 434338612 /nfs/dbraw/zinc/33/86/12/434338612.db2.gz OKBSQTXFFQAMFD-UHFFFAOYSA-N 2 1 315.465 3.068 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423294826 434344316 /nfs/dbraw/zinc/34/43/16/434344316.db2.gz CVHUQEPMOPBUKX-QRQLOZEOSA-N 2 1 303.494 3.004 20 0 DGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423300006 434348881 /nfs/dbraw/zinc/34/88/81/434348881.db2.gz QUEPRUSTCIIYOH-HNNXBMFYSA-N 2 1 311.420 3.041 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423303094 434349836 /nfs/dbraw/zinc/34/98/36/434349836.db2.gz WNEHRXPVISROCX-IIAWOOMASA-N 2 1 308.466 3.303 20 0 DGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851268 434352979 /nfs/dbraw/zinc/35/29/79/434352979.db2.gz OKAORLLUJXAUMB-DOTOQJQBSA-N 2 1 323.525 3.066 20 0 DGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1OCCC ZINC000423309461 434354680 /nfs/dbraw/zinc/35/46/80/434354680.db2.gz ZVJPSTAGYJZCOK-CQSZACIVSA-N 2 1 306.450 3.134 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000390363396 434355833 /nfs/dbraw/zinc/35/58/33/434355833.db2.gz RQJSIACCFAPSFR-KZNAEPCWSA-N 2 1 317.477 3.269 20 0 DGADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)C1CC1 ZINC000423313312 434356101 /nfs/dbraw/zinc/35/61/01/434356101.db2.gz FLERROQRVNIAMU-CABCVRRESA-N 2 1 309.251 3.153 20 0 DGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCC2 ZINC000423489815 434448989 /nfs/dbraw/zinc/44/89/89/434448989.db2.gz GZZRWJGDQYXEBA-RDJZCZTQSA-N 2 1 308.853 3.076 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423480461 434444931 /nfs/dbraw/zinc/44/49/31/434444931.db2.gz NHVALSMYZIZQFM-MAUKXSAKSA-N 3 1 312.461 3.364 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450860691 434448956 /nfs/dbraw/zinc/44/89/56/434448956.db2.gz XLMHBVSSKLXUHH-QGZVFWFLSA-N 2 1 306.425 3.205 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450860691 434448968 /nfs/dbraw/zinc/44/89/68/434448968.db2.gz XLMHBVSSKLXUHH-QGZVFWFLSA-N 2 1 306.425 3.205 20 0 DGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000394419276 434403056 /nfs/dbraw/zinc/40/30/56/434403056.db2.gz FYXWQHCFMYZFCT-CTNGQTDRSA-N 2 1 322.452 3.449 20 0 DGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000394419276 434403062 /nfs/dbraw/zinc/40/30/62/434403062.db2.gz FYXWQHCFMYZFCT-CTNGQTDRSA-N 2 1 322.452 3.449 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000353754147 434404044 /nfs/dbraw/zinc/40/40/44/434404044.db2.gz YFXPDJYWVAEQKN-FUHWJXTLSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000353754147 434404051 /nfs/dbraw/zinc/40/40/51/434404051.db2.gz YFXPDJYWVAEQKN-FUHWJXTLSA-N 2 1 312.461 3.177 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000353754147 434404056 /nfs/dbraw/zinc/40/40/56/434404056.db2.gz YFXPDJYWVAEQKN-FUHWJXTLSA-N 2 1 312.461 3.177 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000353752416 434404457 /nfs/dbraw/zinc/40/44/57/434404457.db2.gz LDSNGRMNLWNSCI-YJBOKZPZSA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000353752416 434404483 /nfs/dbraw/zinc/40/44/83/434404483.db2.gz LDSNGRMNLWNSCI-YJBOKZPZSA-N 2 1 312.461 3.381 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000353752416 434404487 /nfs/dbraw/zinc/40/44/87/434404487.db2.gz LDSNGRMNLWNSCI-YJBOKZPZSA-N 2 1 312.461 3.381 20 0 DGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423400140 434407373 /nfs/dbraw/zinc/40/73/73/434407373.db2.gz WSIMJRBVUOVPIJ-CGTJXYLNSA-N 2 1 301.478 3.476 20 0 DGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2F)s1 ZINC000423427168 434420444 /nfs/dbraw/zinc/42/04/44/434420444.db2.gz IIDQFCBSKPEGDJ-XPZRHXQJSA-N 2 1 302.418 3.423 20 0 DGADMP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cs2)cs1 ZINC000423430260 434420500 /nfs/dbraw/zinc/42/05/00/434420500.db2.gz KUVJJVORICTSDV-GTEUGTGKSA-N 2 1 305.472 3.048 20 0 DGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423458391 434431739 /nfs/dbraw/zinc/43/17/39/434431739.db2.gz GUWYGYQLZAOMBR-HKUYNNGSSA-N 2 1 316.420 3.445 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC000397402073 434436314 /nfs/dbraw/zinc/43/63/14/434436314.db2.gz NNPUBFPCRWSWBC-IPYPFGDCSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC000397402073 434436324 /nfs/dbraw/zinc/43/63/24/434436324.db2.gz NNPUBFPCRWSWBC-IPYPFGDCSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000397493828 434438069 /nfs/dbraw/zinc/43/80/69/434438069.db2.gz NVZVEVJMVDZXEZ-FXAWDEMLSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423497837 434462289 /nfs/dbraw/zinc/46/22/89/434462289.db2.gz HKIZQOOULITVRZ-YVEFUNNKSA-N 2 1 315.461 3.084 20 0 DGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000423526831 434475740 /nfs/dbraw/zinc/47/57/40/434475740.db2.gz LRCOBDAMRSRGEU-HZPDHXFCSA-N 2 1 304.434 3.016 20 0 DGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000423533254 434481976 /nfs/dbraw/zinc/48/19/76/434481976.db2.gz STKGYVYQQBUXDJ-AYWYSENESA-N 2 1 321.468 3.453 20 0 DGADMP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252895 434486278 /nfs/dbraw/zinc/48/62/78/434486278.db2.gz DCSUPLKYNCDDSE-RBUKOAKNSA-N 2 1 316.489 3.302 20 0 DGADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000400252895 434486290 /nfs/dbraw/zinc/48/62/90/434486290.db2.gz DCSUPLKYNCDDSE-RBUKOAKNSA-N 2 1 316.489 3.302 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000360056288 434495425 /nfs/dbraw/zinc/49/54/25/434495425.db2.gz GGUBZCKYUKROAC-SJORKVTESA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000360056288 434495428 /nfs/dbraw/zinc/49/54/28/434495428.db2.gz GGUBZCKYUKROAC-SJORKVTESA-N 2 1 302.462 3.216 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000360056288 434495436 /nfs/dbraw/zinc/49/54/36/434495436.db2.gz GGUBZCKYUKROAC-SJORKVTESA-N 2 1 302.462 3.216 20 0 DGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423487166 434450307 /nfs/dbraw/zinc/45/03/07/434450307.db2.gz VHUOMQBKPSNQIZ-NEPJUHHUSA-N 2 1 300.418 3.304 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000398108209 434456342 /nfs/dbraw/zinc/45/63/42/434456342.db2.gz CCNRBPZXIUJLBC-NJAFHUGGSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000398108209 434456355 /nfs/dbraw/zinc/45/63/55/434456355.db2.gz CCNRBPZXIUJLBC-NJAFHUGGSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1CCC[N@H+](Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000404290744 434509874 /nfs/dbraw/zinc/50/98/74/434509874.db2.gz KVEHSBTWMDWCTN-GXFFZTMASA-N 2 1 317.296 3.460 20 0 DGADMP C[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000404290744 434509881 /nfs/dbraw/zinc/50/98/81/434509881.db2.gz KVEHSBTWMDWCTN-GXFFZTMASA-N 2 1 317.296 3.460 20 0 DGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1CC[NH3+] ZINC000404393125 434514224 /nfs/dbraw/zinc/51/42/24/434514224.db2.gz ZCVJOXSPRYOIFU-BBRMVZONSA-N 2 1 323.868 3.118 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473913 434515965 /nfs/dbraw/zinc/51/59/65/434515965.db2.gz UPEGDSFNAAAIGK-RDTXWAMCSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473913 434515977 /nfs/dbraw/zinc/51/59/77/434515977.db2.gz UPEGDSFNAAAIGK-RDTXWAMCSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473905 434516117 /nfs/dbraw/zinc/51/61/17/434516117.db2.gz UPEGDSFNAAAIGK-KBXCAEBGSA-N 2 1 315.486 3.452 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473905 434516126 /nfs/dbraw/zinc/51/61/26/434516126.db2.gz UPEGDSFNAAAIGK-KBXCAEBGSA-N 2 1 315.486 3.452 20 0 DGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834054 434516867 /nfs/dbraw/zinc/51/68/67/434516867.db2.gz PGDUZTHAYVALEE-NVXWUHKLSA-N 2 1 320.477 3.186 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000348834054 434516879 /nfs/dbraw/zinc/51/68/79/434516879.db2.gz PGDUZTHAYVALEE-NVXWUHKLSA-N 2 1 320.477 3.186 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353910379 434518550 /nfs/dbraw/zinc/51/85/50/434518550.db2.gz DDPFOYSOZDVDDP-INIZCTEOSA-N 2 1 309.542 3.064 20 0 DGADMP CC(C)c1noc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366867500 434527000 /nfs/dbraw/zinc/52/70/00/434527000.db2.gz JQQQVIXVOQVSSK-AWEZNQCLSA-N 2 1 306.454 3.062 20 0 DGADMP CC(C)c1noc([C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366867500 434527004 /nfs/dbraw/zinc/52/70/04/434527004.db2.gz JQQQVIXVOQVSSK-AWEZNQCLSA-N 2 1 306.454 3.062 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CCCC1 ZINC000353947559 434540260 /nfs/dbraw/zinc/54/02/60/434540260.db2.gz ZTUVYVSLYXIDEV-KRWDZBQOSA-N 2 1 315.505 3.102 20 0 DGADMP CCn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000353947075 434540799 /nfs/dbraw/zinc/54/07/99/434540799.db2.gz LANZPANGZNQXEU-YJBOKZPZSA-N 2 1 304.482 3.036 20 0 DGADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417951793 434555814 /nfs/dbraw/zinc/55/58/14/434555814.db2.gz ZEWAFPWLRWNKMF-YOEHRIQHSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417951793 434555820 /nfs/dbraw/zinc/55/58/20/434555820.db2.gz ZEWAFPWLRWNKMF-YOEHRIQHSA-N 2 1 318.490 3.137 20 0 DGADMP COC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000527099351 295077595 /nfs/dbraw/zinc/07/75/95/295077595.db2.gz FZWXNHMBEIGJNS-IBGZPJMESA-N 2 1 304.478 3.303 20 0 DGADMP C[NH+](C)CCOc1cc(CNc2[nH+]ccc3ccccc32)ccn1 ZINC000527949444 295155575 /nfs/dbraw/zinc/15/55/75/295155575.db2.gz YLAAGJUOXADAES-UHFFFAOYSA-N 2 1 322.412 3.182 20 0 DGADMP CC(C)(C)[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527953378 295156358 /nfs/dbraw/zinc/15/63/58/295156358.db2.gz XANVEMPVADERFH-SFHVURJKSA-N 2 1 307.526 3.246 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)nn2C)CC1)CC(C)C ZINC000418069210 434576043 /nfs/dbraw/zinc/57/60/43/434576043.db2.gz PGZKOZSAFLLCDL-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000354100627 434617351 /nfs/dbraw/zinc/61/73/51/434617351.db2.gz OGFGHCYGAYRWAX-NUJGCVRESA-N 2 1 320.477 3.336 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000354099263 434617768 /nfs/dbraw/zinc/61/77/68/434617768.db2.gz CXYHHVDUKIBMPL-LJQANCHMSA-N 2 1 304.478 3.236 20 0 DGADMP CC(C)CC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000360480645 434617799 /nfs/dbraw/zinc/61/77/99/434617799.db2.gz BCLNZKNXBGNFMG-MAUKXSAKSA-N 2 1 317.477 3.101 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000360480645 434617808 /nfs/dbraw/zinc/61/78/08/434617808.db2.gz BCLNZKNXBGNFMG-MAUKXSAKSA-N 2 1 317.477 3.101 20 0 DGADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354102299 434618272 /nfs/dbraw/zinc/61/82/72/434618272.db2.gz ZKYNFRXXVXIBRV-GOSISDBHSA-N 2 1 318.509 3.074 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354102299 434618278 /nfs/dbraw/zinc/61/82/78/434618278.db2.gz ZKYNFRXXVXIBRV-GOSISDBHSA-N 2 1 318.509 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000354102299 434618283 /nfs/dbraw/zinc/61/82/83/434618283.db2.gz ZKYNFRXXVXIBRV-GOSISDBHSA-N 2 1 318.509 3.074 20 0 DGADMP CCCn1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000354102299 434618292 /nfs/dbraw/zinc/61/82/92/434618292.db2.gz ZKYNFRXXVXIBRV-GOSISDBHSA-N 2 1 318.509 3.074 20 0 DGADMP COc1cccc(CCC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000410074129 434632006 /nfs/dbraw/zinc/63/20/06/434632006.db2.gz JIHODVFQYPUPHY-CTNGQTDRSA-N 2 1 324.468 3.302 20 0 DGADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424144297 434636964 /nfs/dbraw/zinc/63/69/64/434636964.db2.gz LBRIYDOEYBHWRN-BPQIPLTHSA-N 2 1 323.525 3.005 20 0 DGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000349208596 434637450 /nfs/dbraw/zinc/63/74/50/434637450.db2.gz MIJAGOFMAOFLAU-LMMKCTJWSA-N 2 1 316.489 3.226 20 0 DGADMP FC1(F)Oc2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2O1 ZINC000424164613 434642283 /nfs/dbraw/zinc/64/22/83/434642283.db2.gz ZXOVFJRBDXBUPP-UHFFFAOYSA-N 2 1 324.371 3.115 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000354078552 434606445 /nfs/dbraw/zinc/60/64/45/434606445.db2.gz ULDNSJKPMCCWKK-QGZVFWFLSA-N 2 1 315.461 3.101 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccsc1 ZINC000349367638 434694648 /nfs/dbraw/zinc/69/46/48/434694648.db2.gz MLJXHAHNJYHFOJ-UHFFFAOYSA-N 2 1 318.490 3.446 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccsc1 ZINC000349367638 434694658 /nfs/dbraw/zinc/69/46/58/434694658.db2.gz MLJXHAHNJYHFOJ-UHFFFAOYSA-N 2 1 318.490 3.446 20 0 DGADMP Cc1[nH+]ccc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1Cl ZINC000354163478 434650464 /nfs/dbraw/zinc/65/04/64/434650464.db2.gz MOQXIKAMBZSTBY-CYBMUJFWSA-N 2 1 304.825 3.236 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000354201301 434668247 /nfs/dbraw/zinc/66/82/47/434668247.db2.gz YEDPPLGBOAHZTH-QZWWFDLISA-N 2 1 324.509 3.064 20 0 DGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000354201301 434668255 /nfs/dbraw/zinc/66/82/55/434668255.db2.gz YEDPPLGBOAHZTH-QZWWFDLISA-N 2 1 324.509 3.064 20 0 DGADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1O ZINC000360713508 434676321 /nfs/dbraw/zinc/67/63/21/434676321.db2.gz MFVKEKFYCMCWGD-HZPDHXFCSA-N 2 1 320.477 3.249 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224355 434677866 /nfs/dbraw/zinc/67/78/66/434677866.db2.gz NQEIBRJFOBPJGE-NVXWUHKLSA-N 2 1 317.477 3.047 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OC(F)F)cc1)CC[NH2+]CC2 ZINC000424285588 434678079 /nfs/dbraw/zinc/67/80/79/434678079.db2.gz FZHFYALBXSYMHN-CYBMUJFWSA-N 2 1 310.388 3.252 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1coc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424292904 434679427 /nfs/dbraw/zinc/67/94/27/434679427.db2.gz ORIYIXOOEGTMRQ-HNNXBMFYSA-N 2 1 311.429 3.306 20 0 DGADMP Cc1ccc(C)c(OCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424294358 434679940 /nfs/dbraw/zinc/67/99/40/434679940.db2.gz QAXIGAWJOYNZHF-KRWDZBQOSA-N 2 1 302.462 3.146 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424294462 434681462 /nfs/dbraw/zinc/68/14/62/434681462.db2.gz QMLPLRSRFWEILM-ZDUSSCGKSA-N 2 1 323.278 3.413 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000459735770 434682824 /nfs/dbraw/zinc/68/28/24/434682824.db2.gz PPLHHAXWDMLYPO-CYBMUJFWSA-N 2 1 318.490 3.095 20 0 DGADMP C[C@H]1CCc2nc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000459734368 434683736 /nfs/dbraw/zinc/68/37/36/434683736.db2.gz OOXKXMRJUOROLM-UONOGXRCSA-N 2 1 307.507 3.089 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459732825 434684746 /nfs/dbraw/zinc/68/47/46/434684746.db2.gz NBSVAERBLZFIKA-MRXNPFEDSA-N 2 1 306.498 3.076 20 0 DGADMP C[C@@H]1CCc2nc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000459734366 434684845 /nfs/dbraw/zinc/68/48/45/434684845.db2.gz OOXKXMRJUOROLM-KGLIPLIRSA-N 2 1 307.507 3.089 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(F)c3cccnc13)CC[NH2+]CC2 ZINC000424299813 434685609 /nfs/dbraw/zinc/68/56/09/434685609.db2.gz VXDAYNYATQZQLS-AWEZNQCLSA-N 2 1 313.420 3.338 20 0 DGADMP CC[C@@](C)([NH2+]C[C@@H](C[NH3+])c1ccc(F)cc1)c1nccs1 ZINC000424303131 434685686 /nfs/dbraw/zinc/68/56/86/434685686.db2.gz NJJCOAIHWAJJMM-CZUORRHYSA-N 2 1 307.438 3.240 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300570 434686472 /nfs/dbraw/zinc/68/64/72/434686472.db2.gz WTXOMVYUUIXTAV-ZDUSSCGKSA-N 2 1 308.853 3.313 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459738777 434688534 /nfs/dbraw/zinc/68/85/34/434688534.db2.gz JKDNZIITUHCMMR-KANFNMMFSA-N 2 1 302.462 3.054 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000459741904 434690310 /nfs/dbraw/zinc/69/03/10/434690310.db2.gz VNQRAGUEHWNZDQ-AWEZNQCLSA-N 2 1 301.409 3.195 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCCO1 ZINC000411220198 434746347 /nfs/dbraw/zinc/74/63/47/434746347.db2.gz RNAYPYKPESFUFQ-KRWDZBQOSA-N 2 1 302.462 3.283 20 0 DGADMP CC[N@H+]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411223199 434747160 /nfs/dbraw/zinc/74/71/60/434747160.db2.gz HUJRKOGEZAPZIL-UHFFFAOYSA-N 2 1 315.505 3.200 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204102 434751913 /nfs/dbraw/zinc/75/19/13/434751913.db2.gz ITBQECVTTINJNX-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOCC2CCC2)C1 ZINC000419204102 434751919 /nfs/dbraw/zinc/75/19/19/434751919.db2.gz ITBQECVTTINJNX-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000419204102 434751923 /nfs/dbraw/zinc/75/19/23/434751923.db2.gz ITBQECVTTINJNX-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOCC2CCC2)C1 ZINC000419204102 434751929 /nfs/dbraw/zinc/75/19/29/434751929.db2.gz ITBQECVTTINJNX-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349399154 434701225 /nfs/dbraw/zinc/70/12/25/434701225.db2.gz CGOLAVNDCBTZQQ-WQUXRXDGSA-N 2 1 316.489 3.443 20 0 DGADMP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349399154 434701228 /nfs/dbraw/zinc/70/12/28/434701228.db2.gz CGOLAVNDCBTZQQ-WQUXRXDGSA-N 2 1 316.489 3.443 20 0 DGADMP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC(C)(C)O ZINC000411285918 434754422 /nfs/dbraw/zinc/75/44/22/434754422.db2.gz VWUGMDZEXLREMA-UHFFFAOYSA-N 2 1 304.478 3.265 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1cccs1)CC[NH2+]CC2 ZINC000424368529 434713995 /nfs/dbraw/zinc/71/39/95/434713995.db2.gz AHNJAPPVJCNSAD-ZDUSSCGKSA-N 2 1 316.474 3.102 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000424370505 434715352 /nfs/dbraw/zinc/71/53/52/434715352.db2.gz DLGUSSLLFHUKNK-QLFBSQMISA-N 2 1 314.351 3.432 20 0 DGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000354333458 434726237 /nfs/dbraw/zinc/72/62/37/434726237.db2.gz YYPUDLDQHQBTDZ-MOPGFXCFSA-N 2 1 304.478 3.433 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)CO1 ZINC000411141557 434730283 /nfs/dbraw/zinc/73/02/83/434730283.db2.gz FHRUILDVQWNJGG-IAGOWNOFSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)CO1 ZINC000411141557 434730288 /nfs/dbraw/zinc/73/02/88/434730288.db2.gz FHRUILDVQWNJGG-IAGOWNOFSA-N 2 1 302.462 3.282 20 0 DGADMP OC[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411170500 434734887 /nfs/dbraw/zinc/73/48/87/434734887.db2.gz XHHCJZPVFMVSGM-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC000419270081 434760427 /nfs/dbraw/zinc/76/04/27/434760427.db2.gz CRIOQYJOOVYZBU-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC000419270081 434760433 /nfs/dbraw/zinc/76/04/33/434760433.db2.gz CRIOQYJOOVYZBU-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H]1OCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411318084 434761860 /nfs/dbraw/zinc/76/18/60/434761860.db2.gz DGGNCKHMZZCYFA-IRXDYDNUSA-N 2 1 302.462 3.282 20 0 DGADMP C[C@@H]1OCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411318084 434761865 /nfs/dbraw/zinc/76/18/65/434761865.db2.gz DGGNCKHMZZCYFA-IRXDYDNUSA-N 2 1 302.462 3.282 20 0 DGADMP c1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccc1C[NH+]1CCCCC1 ZINC000411417507 434775930 /nfs/dbraw/zinc/77/59/30/434775930.db2.gz GINGCPRRGPCTNM-FQEVSTJZSA-N 2 1 314.473 3.283 20 0 DGADMP c1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411415022 434776654 /nfs/dbraw/zinc/77/66/54/434776654.db2.gz BFCBAAOTPZAEDJ-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1)CC(C)C ZINC000411452768 434783931 /nfs/dbraw/zinc/78/39/31/434783931.db2.gz WCPIERRAWJWVSL-OAHLLOKOSA-N 2 1 321.513 3.254 20 0 DGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1)CC(C)C ZINC000411452768 434783933 /nfs/dbraw/zinc/78/39/33/434783933.db2.gz WCPIERRAWJWVSL-OAHLLOKOSA-N 2 1 321.513 3.254 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000444567948 434787617 /nfs/dbraw/zinc/78/76/17/434787617.db2.gz IIIQXDQNOAOAMG-CEXWTWQISA-N 2 1 307.526 3.200 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000453101545 434800679 /nfs/dbraw/zinc/80/06/79/434800679.db2.gz OCXRYZLDPRQIOB-WMZOPIPTSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000453101545 434800682 /nfs/dbraw/zinc/80/06/82/434800682.db2.gz OCXRYZLDPRQIOB-WMZOPIPTSA-N 2 1 301.478 3.399 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414708033 297395862 /nfs/dbraw/zinc/39/58/62/297395862.db2.gz ONPFEMSNZWEENR-HLIPFELVSA-N 2 1 316.489 3.137 20 0 DGADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453069295 434790050 /nfs/dbraw/zinc/79/00/50/434790050.db2.gz LVLJXIBBXOSRJP-VBSBHUPXSA-N 2 1 316.489 3.302 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000411519882 434794186 /nfs/dbraw/zinc/79/41/86/434794186.db2.gz UHAKRASJVFVNLD-HZPDHXFCSA-N 2 1 317.477 3.141 20 0 DGADMP COc1cc(C)nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000411519882 434794189 /nfs/dbraw/zinc/79/41/89/434794189.db2.gz UHAKRASJVFVNLD-HZPDHXFCSA-N 2 1 317.477 3.141 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453120355 434807044 /nfs/dbraw/zinc/80/70/44/434807044.db2.gz WREFOMYJSXSQRR-UXLLHSPISA-N 2 1 322.518 3.369 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000361177286 434822261 /nfs/dbraw/zinc/82/22/61/434822261.db2.gz IKLRCMORKQASGD-QRVBRYPASA-N 2 1 314.473 3.186 20 0 DGADMP CC[C@@H](C)[N@@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411734400 434822346 /nfs/dbraw/zinc/82/23/46/434822346.db2.gz BANXPXKWMVNNSG-QGZVFWFLSA-N 2 1 304.478 3.265 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000453178230 434823783 /nfs/dbraw/zinc/82/37/83/434823783.db2.gz SIPOGBQEWRAMFD-ZIFCJYIRSA-N 2 1 324.472 3.428 20 0 DGADMP CC1(C)[C@H](O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411740168 434825453 /nfs/dbraw/zinc/82/54/53/434825453.db2.gz BRLKUHJAJGGBRK-GOSISDBHSA-N 2 1 302.462 3.018 20 0 DGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453193464 434825566 /nfs/dbraw/zinc/82/55/66/434825566.db2.gz IDZIFDUNRRMZBB-VAMGGRTRSA-N 2 1 316.489 3.444 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2c1 ZINC000411765739 434826538 /nfs/dbraw/zinc/82/65/38/434826538.db2.gz GAPLBBLLCBQRFN-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2c1 ZINC000411765739 434826543 /nfs/dbraw/zinc/82/65/43/434826543.db2.gz GAPLBBLLCBQRFN-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000411765739 434826546 /nfs/dbraw/zinc/82/65/46/434826546.db2.gz GAPLBBLLCBQRFN-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2c1 ZINC000411765739 434826551 /nfs/dbraw/zinc/82/65/51/434826551.db2.gz GAPLBBLLCBQRFN-FQEVSTJZSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@H]1[C@H](O)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411793274 434830380 /nfs/dbraw/zinc/83/03/80/434830380.db2.gz ILLCEEBVURHDIS-QFBILLFUSA-N 2 1 302.462 3.018 20 0 DGADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453233571 434836569 /nfs/dbraw/zinc/83/65/69/434836569.db2.gz WMWBWEZXEOTRBJ-QXCFHYIPSA-N 2 1 302.462 3.054 20 0 DGADMP OCCC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411859033 434838026 /nfs/dbraw/zinc/83/80/26/434838026.db2.gz DDLRCAVTAIFAEY-GOSISDBHSA-N 2 1 316.489 3.267 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1SC ZINC000372560302 434839700 /nfs/dbraw/zinc/83/97/00/434839700.db2.gz RRZHWPOSFNFPSL-CABCVRRESA-N 2 1 306.475 3.134 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1SC ZINC000372560302 434839705 /nfs/dbraw/zinc/83/97/05/434839705.db2.gz RRZHWPOSFNFPSL-CABCVRRESA-N 2 1 306.475 3.134 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)nc2c1 ZINC000573299528 434888517 /nfs/dbraw/zinc/88/85/17/434888517.db2.gz VXAASVVSXPSXGP-OAHLLOKOSA-N 2 1 315.486 3.475 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000521862476 434897054 /nfs/dbraw/zinc/89/70/54/434897054.db2.gz BRUUXPFVMDIONX-ICSRJNTNSA-N 2 1 318.505 3.224 20 0 DGADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000462114524 434901490 /nfs/dbraw/zinc/90/14/90/434901490.db2.gz WVKWECQHWUEQOM-DZGCQCFKSA-N 2 1 322.415 3.056 20 0 DGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000521063152 434869042 /nfs/dbraw/zinc/86/90/42/434869042.db2.gz KVWDKBWVKYXHJR-JSGCOSHPSA-N 2 1 316.367 3.286 20 0 DGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724573 434944835 /nfs/dbraw/zinc/94/48/35/434944835.db2.gz LWSDCLJITLZZRQ-KCUHQSDYSA-N 2 1 314.473 3.186 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)c2)CCO1 ZINC000554724573 434944840 /nfs/dbraw/zinc/94/48/40/434944840.db2.gz LWSDCLJITLZZRQ-KCUHQSDYSA-N 2 1 314.473 3.186 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCCCO3)C2)s1 ZINC000554852263 434947803 /nfs/dbraw/zinc/94/78/03/434947803.db2.gz UYCVJIORAMXFBM-IAGOWNOFSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCCO3)C2)s1 ZINC000554852263 434947806 /nfs/dbraw/zinc/94/78/06/434947806.db2.gz UYCVJIORAMXFBM-IAGOWNOFSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCCO3)C2)s1 ZINC000554852263 434947809 /nfs/dbraw/zinc/94/78/09/434947809.db2.gz UYCVJIORAMXFBM-IAGOWNOFSA-N 2 1 322.518 3.379 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCC(C)C)c2C1 ZINC000638089101 434951497 /nfs/dbraw/zinc/95/14/97/434951497.db2.gz NMEADHRJUWJOOY-INIZCTEOSA-N 2 1 303.450 3.114 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCC(C)C)c2C1 ZINC000638089101 434951501 /nfs/dbraw/zinc/95/15/01/434951501.db2.gz NMEADHRJUWJOOY-INIZCTEOSA-N 2 1 303.450 3.114 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638113579 434954594 /nfs/dbraw/zinc/95/45/94/434954594.db2.gz PQCTUADSUIHILV-GGPKGHCWSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638113579 434954598 /nfs/dbraw/zinc/95/45/98/434954598.db2.gz PQCTUADSUIHILV-GGPKGHCWSA-N 2 1 315.505 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000638113579 434954602 /nfs/dbraw/zinc/95/46/02/434954602.db2.gz PQCTUADSUIHILV-GGPKGHCWSA-N 2 1 315.505 3.175 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)CC2 ZINC000638115465 434955455 /nfs/dbraw/zinc/95/54/55/434955455.db2.gz CRDMBPNBKUKLBY-UKPHBRMFSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)CC2 ZINC000638115465 434955458 /nfs/dbraw/zinc/95/54/58/434955458.db2.gz CRDMBPNBKUKLBY-UKPHBRMFSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000638115465 434955462 /nfs/dbraw/zinc/95/54/62/434955462.db2.gz CRDMBPNBKUKLBY-UKPHBRMFSA-N 2 1 318.461 3.106 20 0 DGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000638115465 434955465 /nfs/dbraw/zinc/95/54/65/434955465.db2.gz CRDMBPNBKUKLBY-UKPHBRMFSA-N 2 1 318.461 3.106 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)cc2c1 ZINC000556671575 435016207 /nfs/dbraw/zinc/01/62/07/435016207.db2.gz RSHINTZLQSBSMZ-CQSZACIVSA-N 2 1 302.418 3.261 20 0 DGADMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cc2c1 ZINC000556671575 435016210 /nfs/dbraw/zinc/01/62/10/435016210.db2.gz RSHINTZLQSBSMZ-CQSZACIVSA-N 2 1 302.418 3.261 20 0 DGADMP CCOC1CC(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638376970 435017101 /nfs/dbraw/zinc/01/71/01/435017101.db2.gz FWGWRDYKCVMTDR-UHFFFAOYSA-N 2 1 316.489 3.364 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638449130 435033623 /nfs/dbraw/zinc/03/36/23/435033623.db2.gz NDNIIXHHMIGCQG-MOPGFXCFSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000556776962 435022764 /nfs/dbraw/zinc/02/27/64/435022764.db2.gz HEYAZWUXYWQMSW-IRXDYDNUSA-N 2 1 324.472 3.244 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638411466 435025056 /nfs/dbraw/zinc/02/50/56/435025056.db2.gz ISVXYECHLNAYQI-NLWGTHIKSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638411466 435025061 /nfs/dbraw/zinc/02/50/61/435025061.db2.gz ISVXYECHLNAYQI-NLWGTHIKSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000638434528 435030619 /nfs/dbraw/zinc/03/06/19/435030619.db2.gz NLWKRPGMBZRVMI-UHFFFAOYSA-N 2 1 304.478 3.433 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000555534243 434977008 /nfs/dbraw/zinc/97/70/08/434977008.db2.gz QGTRHXCHUWEULQ-KSZLIROESA-N 2 1 324.509 3.208 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CCCO1 ZINC000555760389 434987076 /nfs/dbraw/zinc/98/70/76/434987076.db2.gz ZWONCVRGIKULRV-KBXCAEBGSA-N 2 1 322.880 3.418 20 0 DGADMP CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000556195489 435000548 /nfs/dbraw/zinc/00/05/48/435000548.db2.gz SSTHSMQBUKEZBT-IBGZPJMESA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)[NH+](C)CC1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000556195489 435000553 /nfs/dbraw/zinc/00/05/53/435000553.db2.gz SSTHSMQBUKEZBT-IBGZPJMESA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)[NH+](C)CC1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000556195489 435000557 /nfs/dbraw/zinc/00/05/57/435000557.db2.gz SSTHSMQBUKEZBT-IBGZPJMESA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000556195489 435000561 /nfs/dbraw/zinc/00/05/61/435000561.db2.gz SSTHSMQBUKEZBT-IBGZPJMESA-N 2 1 309.542 3.302 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000556195489 435000565 /nfs/dbraw/zinc/00/05/65/435000565.db2.gz SSTHSMQBUKEZBT-IBGZPJMESA-N 2 1 309.542 3.302 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361035 435011981 /nfs/dbraw/zinc/01/19/81/435011981.db2.gz ZLVNWANADNWCAG-IMFGXOCKSA-N 2 1 324.472 3.229 20 0 DGADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361035 435011987 /nfs/dbraw/zinc/01/19/87/435011987.db2.gz ZLVNWANADNWCAG-IMFGXOCKSA-N 2 1 324.472 3.229 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638627680 435060326 /nfs/dbraw/zinc/06/03/26/435060326.db2.gz SVTWTIMZAYWFCU-YSIASYRMSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638627680 435060329 /nfs/dbraw/zinc/06/03/29/435060329.db2.gz SVTWTIMZAYWFCU-YSIASYRMSA-N 2 1 316.489 3.351 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000466347689 435071339 /nfs/dbraw/zinc/07/13/39/435071339.db2.gz SPPKXKDUTQMARQ-WTGUMLROSA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000466347689 435071342 /nfs/dbraw/zinc/07/13/42/435071342.db2.gz SPPKXKDUTQMARQ-WTGUMLROSA-N 2 1 320.521 3.436 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)cc1O ZINC000638701018 435073874 /nfs/dbraw/zinc/07/38/74/435073874.db2.gz NBISXZWAQLLGES-AGUYFDCRSA-N 2 1 324.852 3.159 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)cc1O ZINC000638701018 435073878 /nfs/dbraw/zinc/07/38/78/435073878.db2.gz NBISXZWAQLLGES-AGUYFDCRSA-N 2 1 324.852 3.159 20 0 DGADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638477552 435039430 /nfs/dbraw/zinc/03/94/30/435039430.db2.gz LXYUANGEUQPPSC-AZUAARDMSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638477552 435039432 /nfs/dbraw/zinc/03/94/32/435039432.db2.gz LXYUANGEUQPPSC-AZUAARDMSA-N 2 1 315.505 3.284 20 0 DGADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638477552 435039435 /nfs/dbraw/zinc/03/94/35/435039435.db2.gz LXYUANGEUQPPSC-AZUAARDMSA-N 2 1 315.505 3.284 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638489345 435040584 /nfs/dbraw/zinc/04/05/84/435040584.db2.gz ZBQORZDZJCRREL-ICSRJNTNSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638489345 435040588 /nfs/dbraw/zinc/04/05/88/435040588.db2.gz ZBQORZDZJCRREL-ICSRJNTNSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638489343 435040831 /nfs/dbraw/zinc/04/08/31/435040831.db2.gz ZBQORZDZJCRREL-AZUAARDMSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638489343 435040833 /nfs/dbraw/zinc/04/08/33/435040833.db2.gz ZBQORZDZJCRREL-AZUAARDMSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CS1 ZINC000638521861 435045925 /nfs/dbraw/zinc/04/59/25/435045925.db2.gz RLPZDXWWEGSEJT-NJAFHUGGSA-N 2 1 304.503 3.035 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638791863 435090092 /nfs/dbraw/zinc/09/00/92/435090092.db2.gz WRHXUEMXXNVBSP-CMKODMSKSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638791863 435090095 /nfs/dbraw/zinc/09/00/95/435090095.db2.gz WRHXUEMXXNVBSP-CMKODMSKSA-N 2 1 314.473 3.105 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000530866568 435056533 /nfs/dbraw/zinc/05/65/33/435056533.db2.gz FZJNNCBRTNHFGN-SCEWNMGZSA-N 2 1 302.462 3.133 20 0 DGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000474472420 435147537 /nfs/dbraw/zinc/14/75/37/435147537.db2.gz OGVVFIGBMSRHBX-AZUAARDMSA-N 2 1 316.489 3.446 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000558506280 435094729 /nfs/dbraw/zinc/09/47/29/435094729.db2.gz XRROMBKPCFRXDM-ZHALLVOQSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638821200 435096705 /nfs/dbraw/zinc/09/67/05/435096705.db2.gz PRJKHQYTZNHYHI-ILZDJORESA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638821200 435096710 /nfs/dbraw/zinc/09/67/10/435096710.db2.gz PRJKHQYTZNHYHI-ILZDJORESA-N 2 1 316.489 3.353 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708642 435112334 /nfs/dbraw/zinc/11/23/34/435112334.db2.gz ASHVCZUJGYLAAZ-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531708642 435112337 /nfs/dbraw/zinc/11/23/37/435112337.db2.gz ASHVCZUJGYLAAZ-MAUKXSAKSA-N 2 1 317.477 3.223 20 0 DGADMP C[C@H]1C[NH+](Cc2cncc(C[N@H+]3C[C@H](C)[C@H](C)C3)c2)C[C@@H]1C ZINC000578835133 435113063 /nfs/dbraw/zinc/11/30/63/435113063.db2.gz WXOLZMNMFYSSBL-LUKYLMHMSA-N 2 1 301.478 3.257 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc(C)c1F ZINC000532226233 435149796 /nfs/dbraw/zinc/14/97/96/435149796.db2.gz NIFMXVHLJZMYDA-WMZOPIPTSA-N 2 1 322.468 3.186 20 0 DGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467336559 435118489 /nfs/dbraw/zinc/11/84/89/435118489.db2.gz XHMBDKUQSJZLPG-SJORKVTESA-N 2 1 310.869 3.083 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639089686 435149900 /nfs/dbraw/zinc/14/99/00/435149900.db2.gz BPUAUVIOCMPOPT-BUIAKZPTSA-N 2 1 302.462 3.368 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639089686 435149903 /nfs/dbraw/zinc/14/99/03/435149903.db2.gz BPUAUVIOCMPOPT-BUIAKZPTSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638980450 435126918 /nfs/dbraw/zinc/12/69/18/435126918.db2.gz DJHUKXOTENICAU-BVYOLEPJSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638980450 435126922 /nfs/dbraw/zinc/12/69/22/435126922.db2.gz DJHUKXOTENICAU-BVYOLEPJSA-N 2 1 302.462 3.104 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559774531 435139075 /nfs/dbraw/zinc/13/90/75/435139075.db2.gz RJQPCWOCIZBJJK-QHAWAJNXSA-N 2 1 324.468 3.188 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559774531 435139080 /nfs/dbraw/zinc/13/90/80/435139080.db2.gz RJQPCWOCIZBJJK-QHAWAJNXSA-N 2 1 324.468 3.188 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000579246223 435141634 /nfs/dbraw/zinc/14/16/34/435141634.db2.gz XIJINYLIOVZLJA-HOCLYGCPSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000579246223 435141636 /nfs/dbraw/zinc/14/16/36/435141636.db2.gz XIJINYLIOVZLJA-HOCLYGCPSA-N 2 1 306.450 3.042 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639071594 435144928 /nfs/dbraw/zinc/14/49/28/435144928.db2.gz NADYBZBOGGBWBG-WZGPROSRSA-N 2 1 314.473 3.104 20 0 DGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639071594 435144933 /nfs/dbraw/zinc/14/49/33/435144933.db2.gz NADYBZBOGGBWBG-WZGPROSRSA-N 2 1 314.473 3.104 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000493946286 435194047 /nfs/dbraw/zinc/19/40/47/435194047.db2.gz ZGXINTPKUZHSIB-SJLPKXTDSA-N 2 1 302.462 3.234 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639208818 435199315 /nfs/dbraw/zinc/19/93/15/435199315.db2.gz DSFFKUHRKVANQM-YSIASYRMSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639208818 435199319 /nfs/dbraw/zinc/19/93/19/435199319.db2.gz DSFFKUHRKVANQM-YSIASYRMSA-N 2 1 314.473 3.369 20 0 DGADMP CC[NH+](CC)Cc1cccc(NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC000561137489 435200751 /nfs/dbraw/zinc/20/07/51/435200751.db2.gz TXBIRRMGQXPXSO-UHFFFAOYSA-N 2 1 317.477 3.199 20 0 DGADMP Cc1nocc1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639227394 435204576 /nfs/dbraw/zinc/20/45/76/435204576.db2.gz MDWLBVBZXPDOCQ-MJGOQNOKSA-N 2 1 311.429 3.441 20 0 DGADMP Cc1nocc1C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639227394 435204580 /nfs/dbraw/zinc/20/45/80/435204580.db2.gz MDWLBVBZXPDOCQ-MJGOQNOKSA-N 2 1 311.429 3.441 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000560245852 435155987 /nfs/dbraw/zinc/15/59/87/435155987.db2.gz KDZSWAKHFCBQKU-XYVMCAHJSA-N 2 1 302.462 3.305 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC[N@H+]1C ZINC000560245852 435155990 /nfs/dbraw/zinc/15/59/90/435155990.db2.gz KDZSWAKHFCBQKU-XYVMCAHJSA-N 2 1 302.462 3.305 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117203 435162401 /nfs/dbraw/zinc/16/24/01/435162401.db2.gz FXPGDPNYJMHETM-WSTLGDPDSA-N 2 1 314.473 3.369 20 0 DGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117203 435162405 /nfs/dbraw/zinc/16/24/05/435162405.db2.gz FXPGDPNYJMHETM-WSTLGDPDSA-N 2 1 314.473 3.369 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000532441743 435165572 /nfs/dbraw/zinc/16/55/72/435165572.db2.gz HVANLILWHANLNW-FQEVSTJZSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000532441744 435166164 /nfs/dbraw/zinc/16/61/64/435166164.db2.gz HVANLILWHANLNW-HXUWFJFHSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C(C)(C)O1 ZINC000532453442 435166479 /nfs/dbraw/zinc/16/64/79/435166479.db2.gz VOARRLHEZQJVND-SFHVURJKSA-N 2 1 316.489 3.371 20 0 DGADMP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C(C)(C)O1 ZINC000532453442 435166484 /nfs/dbraw/zinc/16/64/84/435166484.db2.gz VOARRLHEZQJVND-SFHVURJKSA-N 2 1 316.489 3.371 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000579621967 435168277 /nfs/dbraw/zinc/16/82/77/435168277.db2.gz BQZJNCAJQSBATQ-WOJBJXKFSA-N 3 1 315.505 3.143 20 0 DGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000579621967 435168282 /nfs/dbraw/zinc/16/82/82/435168282.db2.gz BQZJNCAJQSBATQ-WOJBJXKFSA-N 3 1 315.505 3.143 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000532479859 435169129 /nfs/dbraw/zinc/16/91/29/435169129.db2.gz UTMYDSBKBSZUJE-UTKZUKDTSA-N 2 1 324.468 3.461 20 0 DGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000532479857 435170758 /nfs/dbraw/zinc/17/07/58/435170758.db2.gz UTMYDSBKBSZUJE-DYESRHJHSA-N 2 1 324.468 3.461 20 0 DGADMP C[C@@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560533488 435175687 /nfs/dbraw/zinc/17/56/87/435175687.db2.gz KTKGGKGRIMXINL-BTHPGYMESA-N 2 1 316.489 3.038 20 0 DGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000560583010 435181416 /nfs/dbraw/zinc/18/14/16/435181416.db2.gz NLMNGZUGWQBLQU-HOJAQTOUSA-N 2 1 321.553 3.494 20 0 DGADMP COCc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000533079483 435209221 /nfs/dbraw/zinc/20/92/21/435209221.db2.gz OQQGVAXPYXJKCW-UHFFFAOYSA-N 2 1 304.478 3.385 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)C[C@H]1c1ccccc1 ZINC000561273099 435210715 /nfs/dbraw/zinc/21/07/15/435210715.db2.gz WKOVNIBWDTWMMG-MOPGFXCFSA-N 2 1 310.441 3.360 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)C[C@H]1c1ccccc1 ZINC000561273099 435210720 /nfs/dbraw/zinc/21/07/20/435210720.db2.gz WKOVNIBWDTWMMG-MOPGFXCFSA-N 2 1 310.441 3.360 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000639251910 435212009 /nfs/dbraw/zinc/21/20/09/435212009.db2.gz LVUBPVIZAUKUFZ-IEBWSBKVSA-N 2 1 314.473 3.371 20 0 DGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000639251910 435212015 /nfs/dbraw/zinc/21/20/15/435212015.db2.gz LVUBPVIZAUKUFZ-IEBWSBKVSA-N 2 1 314.473 3.371 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639250057 435212080 /nfs/dbraw/zinc/21/20/80/435212080.db2.gz OSEUWIOTGFCJKD-UMGGQSCQSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639250057 435212085 /nfs/dbraw/zinc/21/20/85/435212085.db2.gz OSEUWIOTGFCJKD-UMGGQSCQSA-N 2 1 314.473 3.105 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000639251912 435212895 /nfs/dbraw/zinc/21/28/95/435212895.db2.gz LVUBPVIZAUKUFZ-PKOBYXMFSA-N 2 1 314.473 3.371 20 0 DGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000639251912 435212901 /nfs/dbraw/zinc/21/29/01/435212901.db2.gz LVUBPVIZAUKUFZ-PKOBYXMFSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000533375679 435230550 /nfs/dbraw/zinc/23/05/50/435230550.db2.gz WORCWBGAPDQRFS-FCGDIQPGSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000533375679 435230554 /nfs/dbraw/zinc/23/05/54/435230554.db2.gz WORCWBGAPDQRFS-FCGDIQPGSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000533375679 435230559 /nfs/dbraw/zinc/23/05/59/435230559.db2.gz WORCWBGAPDQRFS-FCGDIQPGSA-N 2 1 307.526 3.198 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639299578 435234834 /nfs/dbraw/zinc/23/48/34/435234834.db2.gz RWSDHBMDFXOWQS-PKOBYXMFSA-N 2 1 314.473 3.371 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639299578 435234839 /nfs/dbraw/zinc/23/48/39/435234839.db2.gz RWSDHBMDFXOWQS-PKOBYXMFSA-N 2 1 314.473 3.371 20 0 DGADMP Cn1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc2ccccc21 ZINC000639336551 435250299 /nfs/dbraw/zinc/25/02/99/435250299.db2.gz CTLDQCMWBGMWHJ-QGZVFWFLSA-N 2 1 311.473 3.390 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn21 ZINC000583876266 435251766 /nfs/dbraw/zinc/25/17/66/435251766.db2.gz LJMQHMKDECPMHD-CABCVRRESA-N 2 1 300.450 3.030 20 0 DGADMP CC(C)c1[nH+]c(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn21 ZINC000583876266 435251771 /nfs/dbraw/zinc/25/17/71/435251771.db2.gz LJMQHMKDECPMHD-CABCVRRESA-N 2 1 300.450 3.030 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330292 435246382 /nfs/dbraw/zinc/24/63/82/435246382.db2.gz KTJWLHRRKRATPI-AITUJVMLSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330292 435246387 /nfs/dbraw/zinc/24/63/87/435246387.db2.gz KTJWLHRRKRATPI-AITUJVMLSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330292 435246393 /nfs/dbraw/zinc/24/63/93/435246393.db2.gz KTJWLHRRKRATPI-AITUJVMLSA-N 2 1 300.446 3.122 20 0 DGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639330292 435246397 /nfs/dbraw/zinc/24/63/97/435246397.db2.gz KTJWLHRRKRATPI-AITUJVMLSA-N 2 1 300.446 3.122 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648377001 435279579 /nfs/dbraw/zinc/27/95/79/435279579.db2.gz VPFYGGXXPUEUPN-RISCZKNCSA-N 2 1 307.825 3.396 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CCO)CC1 ZINC000534333698 435284051 /nfs/dbraw/zinc/28/40/51/435284051.db2.gz HQZLEONLNJIDMZ-UHFFFAOYSA-N 2 1 318.505 3.239 20 0 DGADMP Clc1cnc2oc(CNC[C@@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000648417848 435292480 /nfs/dbraw/zinc/29/24/80/435292480.db2.gz FCXGAQUDEMZGMG-NSHDSACASA-N 2 1 305.809 3.055 20 0 DGADMP Clc1cnc2oc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000648417848 435292491 /nfs/dbraw/zinc/29/24/91/435292491.db2.gz FCXGAQUDEMZGMG-NSHDSACASA-N 2 1 305.809 3.055 20 0 DGADMP CN1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000648432398 435297605 /nfs/dbraw/zinc/29/76/05/435297605.db2.gz DXSBBKJDADPDBG-KRWDZBQOSA-N 2 1 309.542 3.349 20 0 DGADMP CCOC1CC(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000639359442 435263560 /nfs/dbraw/zinc/26/35/60/435263560.db2.gz NGUFISLCHHIUBZ-IHJVYAAUSA-N 2 1 316.489 3.159 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCOC3)CC1 ZINC000639487372 435316367 /nfs/dbraw/zinc/31/63/67/435316367.db2.gz XCHJQSOJWNMLDV-UHFFFAOYSA-N 2 1 302.462 3.064 20 0 DGADMP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H](C)OC ZINC000643357130 435316632 /nfs/dbraw/zinc/31/66/32/435316632.db2.gz VPGJUOLDLXUZGV-KRWDZBQOSA-N 2 1 320.477 3.018 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510468 435327603 /nfs/dbraw/zinc/32/76/03/435327603.db2.gz DVXPWTWXMCPENP-HNNXBMFYSA-N 2 1 313.445 3.017 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510468 435327606 /nfs/dbraw/zinc/32/76/06/435327606.db2.gz DVXPWTWXMCPENP-HNNXBMFYSA-N 2 1 313.445 3.017 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510468 435327611 /nfs/dbraw/zinc/32/76/11/435327611.db2.gz DVXPWTWXMCPENP-HNNXBMFYSA-N 2 1 313.445 3.017 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC000639510468 435327615 /nfs/dbraw/zinc/32/76/15/435327615.db2.gz DVXPWTWXMCPENP-HNNXBMFYSA-N 2 1 313.445 3.017 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510926 435327742 /nfs/dbraw/zinc/32/77/42/435327742.db2.gz GWCZLXVYICJTSF-MRXNPFEDSA-N 2 1 313.445 3.424 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510926 435327747 /nfs/dbraw/zinc/32/77/47/435327747.db2.gz GWCZLXVYICJTSF-MRXNPFEDSA-N 2 1 313.445 3.424 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510926 435327750 /nfs/dbraw/zinc/32/77/50/435327750.db2.gz GWCZLXVYICJTSF-MRXNPFEDSA-N 2 1 313.445 3.424 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639510926 435327754 /nfs/dbraw/zinc/32/77/54/435327754.db2.gz GWCZLXVYICJTSF-MRXNPFEDSA-N 2 1 313.445 3.424 20 0 DGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457525 435330433 /nfs/dbraw/zinc/33/04/33/435330433.db2.gz IOWQDXREONGORS-VAMGGRTRSA-N 2 1 315.505 3.148 20 0 DGADMP C[C@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643464311 435330591 /nfs/dbraw/zinc/33/05/91/435330591.db2.gz AVHMRMPCVDXMJU-UHOSZYNNSA-N 3 1 307.526 3.009 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000511731511 435330663 /nfs/dbraw/zinc/33/06/63/435330663.db2.gz YWYPDKIPVLMKDS-FUHWJXTLSA-N 2 1 304.478 3.423 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000511731511 435330669 /nfs/dbraw/zinc/33/06/69/435330669.db2.gz YWYPDKIPVLMKDS-FUHWJXTLSA-N 2 1 304.478 3.423 20 0 DGADMP CCC1(O)CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643474158 435332455 /nfs/dbraw/zinc/33/24/55/435332455.db2.gz KRAZIGHWMDUBFV-CXUOOODFSA-N 2 1 302.462 3.153 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CC[C@H](C)O3)C2)s1 ZINC000567617464 435335729 /nfs/dbraw/zinc/33/57/29/435335729.db2.gz KTCBTUCOGMJOOK-UAGQMJEPSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CC[C@H](C)O3)C2)s1 ZINC000567617464 435335730 /nfs/dbraw/zinc/33/57/30/435335730.db2.gz KTCBTUCOGMJOOK-UAGQMJEPSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CC[C@H](C)O3)C2)s1 ZINC000567617464 435335736 /nfs/dbraw/zinc/33/57/36/435335736.db2.gz KTCBTUCOGMJOOK-UAGQMJEPSA-N 2 1 322.518 3.378 20 0 DGADMP CCOc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000643493825 435336521 /nfs/dbraw/zinc/33/65/21/435336521.db2.gz RCQVVRRWMFJYLF-CABCVRRESA-N 2 1 313.445 3.422 20 0 DGADMP Cc1nc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)[nH]c1C ZINC000639545744 435338909 /nfs/dbraw/zinc/33/89/09/435338909.db2.gz ADAGHFOOIDPQJJ-HNNXBMFYSA-N 2 1 316.424 3.044 20 0 DGADMP CN(Cc1ccns1)[C@H]1CCC[N@H+](Cc2ccns2)CC1 ZINC000639546972 435339481 /nfs/dbraw/zinc/33/94/81/435339481.db2.gz NXXUZZZETROEAP-ZDUSSCGKSA-N 2 1 322.503 3.086 20 0 DGADMP CN(Cc1ccns1)[C@H]1CCC[N@@H+](Cc2ccns2)CC1 ZINC000639546972 435339482 /nfs/dbraw/zinc/33/94/82/435339482.db2.gz NXXUZZZETROEAP-ZDUSSCGKSA-N 2 1 322.503 3.086 20 0 DGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502399 435339650 /nfs/dbraw/zinc/33/96/50/435339650.db2.gz FHILVLJKIMDYHQ-OCCSQVGLSA-N 2 1 300.368 3.368 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648559455 435342611 /nfs/dbraw/zinc/34/26/11/435342611.db2.gz AIIFKMCEFJSLJG-AWEZNQCLSA-N 2 1 307.825 3.397 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648559455 435342614 /nfs/dbraw/zinc/34/26/14/435342614.db2.gz AIIFKMCEFJSLJG-AWEZNQCLSA-N 2 1 307.825 3.397 20 0 DGADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])s2)cc1 ZINC000643528898 435344905 /nfs/dbraw/zinc/34/49/05/435344905.db2.gz QRXIVLLZSHXCMU-MNOVXSKESA-N 2 1 305.447 3.125 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000639566832 435349150 /nfs/dbraw/zinc/34/91/50/435349150.db2.gz LMXWCPJMKYIEAN-INIZCTEOSA-N 2 1 322.412 3.373 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCS2 ZINC000643547476 435350493 /nfs/dbraw/zinc/35/04/93/435350493.db2.gz FZMFQJMQKYSHEA-BBRMVZONSA-N 2 1 318.486 3.496 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccnn1-c1ccccc1 ZINC000643549070 435352613 /nfs/dbraw/zinc/35/26/13/435352613.db2.gz ZWMSEWQRAYFVLA-JKSUJKDBSA-N 2 1 310.445 3.198 20 0 DGADMP CC[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000535806251 435354475 /nfs/dbraw/zinc/35/44/75/435354475.db2.gz MOSQRMATFSBQHK-RSPOEFSDSA-N 2 1 316.489 3.364 20 0 DGADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(-c2ccncc2)c1 ZINC000567871534 435365777 /nfs/dbraw/zinc/36/57/77/435365777.db2.gz OXAZAHYSQPFFBD-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP CC[NH+](CC)CCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000513968492 435407056 /nfs/dbraw/zinc/40/70/56/435407056.db2.gz DXWNGJHRLKEWGY-WQLSENKSSA-N 2 1 315.505 3.049 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000648762187 435411410 /nfs/dbraw/zinc/41/14/10/435411410.db2.gz UUTXNIQQAOZYFI-UXHICEINSA-N 2 1 314.473 3.247 20 0 DGADMP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000568237824 435412027 /nfs/dbraw/zinc/41/20/27/435412027.db2.gz HBOWKCTWYABZBS-YOEHRIQHSA-N 2 1 317.433 3.294 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792427 435421437 /nfs/dbraw/zinc/42/14/37/435421437.db2.gz KMFRSWXTDVSUGH-ROUUACIJSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792427 435421439 /nfs/dbraw/zinc/42/14/39/435421439.db2.gz KMFRSWXTDVSUGH-ROUUACIJSA-N 2 1 324.472 3.294 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792427 435421443 /nfs/dbraw/zinc/42/14/43/435421443.db2.gz KMFRSWXTDVSUGH-ROUUACIJSA-N 2 1 324.472 3.294 20 0 DGADMP Cc1ccc(C(=O)CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000480559489 435384487 /nfs/dbraw/zinc/38/44/87/435384487.db2.gz VLRLKXJPTDBZFN-GOSISDBHSA-N 2 1 314.473 3.232 20 0 DGADMP Cc1ccc(C(=O)CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000480559489 435384488 /nfs/dbraw/zinc/38/44/88/435384488.db2.gz VLRLKXJPTDBZFN-GOSISDBHSA-N 2 1 314.473 3.232 20 0 DGADMP Cc1ccc(C(=O)CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000480559489 435384490 /nfs/dbraw/zinc/38/44/90/435384490.db2.gz VLRLKXJPTDBZFN-GOSISDBHSA-N 2 1 314.473 3.232 20 0 DGADMP Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000480559489 435384494 /nfs/dbraw/zinc/38/44/94/435384494.db2.gz VLRLKXJPTDBZFN-GOSISDBHSA-N 2 1 314.473 3.232 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000643973495 435388995 /nfs/dbraw/zinc/38/89/95/435388995.db2.gz FAFQYXIGXLLIBT-NUEKZKHPSA-N 2 1 306.450 3.232 20 0 DGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000648698772 435391700 /nfs/dbraw/zinc/39/17/00/435391700.db2.gz KSVCEDBUDSMSIX-LJQANCHMSA-N 2 1 300.446 3.146 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000480768313 435395443 /nfs/dbraw/zinc/39/54/43/435395443.db2.gz VXSWDNXGYZGSPH-INIZCTEOSA-N 2 1 300.446 3.459 20 0 DGADMP Fc1cccc(F)c1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701780 435396728 /nfs/dbraw/zinc/39/67/28/435396728.db2.gz AJHNMXQQQGJLJR-UHFFFAOYSA-N 2 1 303.356 3.072 20 0 DGADMP Fc1cccc(F)c1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701780 435396731 /nfs/dbraw/zinc/39/67/31/435396731.db2.gz AJHNMXQQQGJLJR-UHFFFAOYSA-N 2 1 303.356 3.072 20 0 DGADMP CN(CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000514858181 435444224 /nfs/dbraw/zinc/44/42/24/435444224.db2.gz FJCRUGWCAQSDAD-IBGZPJMESA-N 2 1 315.505 3.177 20 0 DGADMP CN(CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000514858181 435444230 /nfs/dbraw/zinc/44/42/30/435444230.db2.gz FJCRUGWCAQSDAD-IBGZPJMESA-N 2 1 315.505 3.177 20 0 DGADMP CN(CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000514858181 435444238 /nfs/dbraw/zinc/44/42/38/435444238.db2.gz FJCRUGWCAQSDAD-IBGZPJMESA-N 2 1 315.505 3.177 20 0 DGADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000644569202 435459371 /nfs/dbraw/zinc/45/93/71/435459371.db2.gz AFKSORQKBMVORP-OAHLLOKOSA-N 2 1 323.868 3.133 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000568899619 435480982 /nfs/dbraw/zinc/48/09/82/435480982.db2.gz YGTDTSDRUBVGAD-UHFFFAOYSA-N 2 1 323.444 3.109 20 0 DGADMP C[N@@H+](CCC[NH3+])CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000568749844 435466880 /nfs/dbraw/zinc/46/68/80/435466880.db2.gz XHYYSNVADDOVSW-UHFFFAOYSA-N 2 1 304.384 3.377 20 0 DGADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482457892 435468391 /nfs/dbraw/zinc/46/83/91/435468391.db2.gz KRMPMOPOMQUPLM-VQTJNVASSA-N 2 1 318.505 3.202 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000568813800 435473171 /nfs/dbraw/zinc/47/31/71/435473171.db2.gz CUGJBFUGFORESP-UHFFFAOYSA-N 2 1 306.400 3.427 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537944801 435475586 /nfs/dbraw/zinc/47/55/86/435475586.db2.gz ODUTXRLIFQYQOP-NTDBWNAOSA-N 2 1 304.478 3.300 20 0 DGADMP CCOC[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537941073 435475678 /nfs/dbraw/zinc/47/56/78/435475678.db2.gz HALROJXATKHUNX-JENIJYKNSA-N 2 1 304.478 3.302 20 0 DGADMP CC[C@H](COC)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537939910 435475746 /nfs/dbraw/zinc/47/57/46/435475746.db2.gz KZLYLAUPEJDYKJ-NZSAHSFTSA-N 2 1 304.478 3.302 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639980373 435479588 /nfs/dbraw/zinc/47/95/88/435479588.db2.gz NZIOMQNYNCKUTH-OAHLLOKOSA-N 2 1 306.425 3.153 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639980373 435479594 /nfs/dbraw/zinc/47/95/94/435479594.db2.gz NZIOMQNYNCKUTH-OAHLLOKOSA-N 2 1 306.425 3.153 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000538098898 435480383 /nfs/dbraw/zinc/48/03/83/435480383.db2.gz NSFZSYLMORQGIR-UHFFFAOYSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ccccc1OCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000538098898 435480387 /nfs/dbraw/zinc/48/03/87/435480387.db2.gz NSFZSYLMORQGIR-UHFFFAOYSA-N 2 1 302.462 3.324 20 0 DGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984408 435480342 /nfs/dbraw/zinc/48/03/42/435480342.db2.gz UUYUUGFVDFLUJE-MJGOQNOKSA-N 2 1 316.489 3.101 20 0 DGADMP CCCCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000514861941 435443916 /nfs/dbraw/zinc/44/39/16/435443916.db2.gz ZGMOLOYNLCJWNP-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000514861941 435443919 /nfs/dbraw/zinc/44/39/19/435443919.db2.gz ZGMOLOYNLCJWNP-INIZCTEOSA-N 2 1 306.450 3.045 20 0 DGADMP CC1(F)CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000640071393 435510931 /nfs/dbraw/zinc/51/09/31/435510931.db2.gz LQTOKCGEVXCFGC-SFHVURJKSA-N 2 1 320.452 3.102 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538723894 435517267 /nfs/dbraw/zinc/51/72/67/435517267.db2.gz FTEWHXORAVGMQX-QRVBRYPASA-N 2 1 321.553 3.161 20 0 DGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000569291537 435520939 /nfs/dbraw/zinc/52/09/39/435520939.db2.gz HHBYRVYZGGPOLS-PKOBYXMFSA-N 2 1 322.468 3.093 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000538750326 435521900 /nfs/dbraw/zinc/52/19/00/435521900.db2.gz RNUYOUIZRQPDJL-VOFKWLDRSA-N 2 1 320.452 3.272 20 0 DGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220209 435522205 /nfs/dbraw/zinc/52/22/05/435522205.db2.gz NWUFAVVNENAGEL-YOEHRIQHSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220209 435522214 /nfs/dbraw/zinc/52/22/14/435522214.db2.gz NWUFAVVNENAGEL-YOEHRIQHSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCc2ccc(F)cc2Cl)C1 ZINC000516220209 435522218 /nfs/dbraw/zinc/52/22/18/435522218.db2.gz NWUFAVVNENAGEL-YOEHRIQHSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@@H+](CCOc1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000538781759 435523472 /nfs/dbraw/zinc/52/34/72/435523472.db2.gz WDXPBMSHPIKMEA-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(F)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000538781759 435523476 /nfs/dbraw/zinc/52/34/76/435523476.db2.gz WDXPBMSHPIKMEA-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP C[NH+](CCOc1ccc(F)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000538781759 435523481 /nfs/dbraw/zinc/52/34/81/435523481.db2.gz WDXPBMSHPIKMEA-CYBMUJFWSA-N 2 1 314.832 3.132 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000516339607 435528948 /nfs/dbraw/zinc/52/89/48/435528948.db2.gz BAOYEZYYQOAZJZ-SJLPKXTDSA-N 2 1 310.526 3.370 20 0 DGADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000483842379 435531916 /nfs/dbraw/zinc/53/19/16/435531916.db2.gz SINPPHHPZODCCE-LMCOJAPRSA-N 2 1 316.489 3.393 20 0 DGADMP COC(=O)c1ccc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000538137894 435483560 /nfs/dbraw/zinc/48/35/60/435483560.db2.gz UIVNANPQJCJMPS-AWEZNQCLSA-N 2 1 322.449 3.179 20 0 DGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000568985110 435489370 /nfs/dbraw/zinc/48/93/70/435489370.db2.gz ZXPQAFGGENKOJY-JXFKEZNVSA-N 3 1 315.505 3.278 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000569705952 435554706 /nfs/dbraw/zinc/55/47/06/435554706.db2.gz GOHOYSYMWSAEAL-WBMJQRKESA-N 2 1 318.852 3.146 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000569705952 435554712 /nfs/dbraw/zinc/55/47/12/435554712.db2.gz GOHOYSYMWSAEAL-WBMJQRKESA-N 2 1 318.852 3.146 20 0 DGADMP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484910306 435556510 /nfs/dbraw/zinc/55/65/10/435556510.db2.gz XOHBFCHZXYIJKW-KSZLIROESA-N 2 1 322.880 3.019 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411957 435579875 /nfs/dbraw/zinc/57/98/75/435579875.db2.gz ZMIAALZDBIEMAE-HXUWFJFHSA-N 3 1 321.553 3.210 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCOC2)CC1)CC1CC1 ZINC000540049086 435585937 /nfs/dbraw/zinc/58/59/37/435585937.db2.gz CMPVJIFXDSSDIB-LJQANCHMSA-N 2 1 308.510 3.247 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000486088364 435587099 /nfs/dbraw/zinc/58/70/99/435587099.db2.gz RKIXVMMRIRVNSP-VHDGCEQUSA-N 2 1 300.368 3.262 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CC2(O)CCCC2)CC1)CC1CC1 ZINC000540050480 435587092 /nfs/dbraw/zinc/58/70/92/435587092.db2.gz SNFPMPYIYNXXAV-UHFFFAOYSA-N 2 1 308.510 3.126 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000539092495 435540560 /nfs/dbraw/zinc/54/05/60/435540560.db2.gz BYLDSZIQNLDDLJ-VXGBXAGGSA-N 2 1 317.260 3.445 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000539092495 435540565 /nfs/dbraw/zinc/54/05/65/435540565.db2.gz BYLDSZIQNLDDLJ-VXGBXAGGSA-N 2 1 317.260 3.445 20 0 DGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000539220426 435541487 /nfs/dbraw/zinc/54/14/87/435541487.db2.gz BLYSLCNSSHMSQC-QZTJIDSGSA-N 2 1 309.542 3.161 20 0 DGADMP CCc1ccc([C@@H]2CN(CC[C@@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357634 435543314 /nfs/dbraw/zinc/54/33/14/435543314.db2.gz QKVQNABEECRBTF-PMACEKPBSA-N 2 1 316.489 3.497 20 0 DGADMP CCc1ccc([C@@H]2CN(CC[C@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357636 435543568 /nfs/dbraw/zinc/54/35/68/435543568.db2.gz QKVQNABEECRBTF-UXHICEINSA-N 2 1 316.489 3.497 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000570507764 435625728 /nfs/dbraw/zinc/62/57/28/435625728.db2.gz WPCPNFOXORARRY-AKHDSKFASA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000570507764 435625731 /nfs/dbraw/zinc/62/57/31/435625731.db2.gz WPCPNFOXORARRY-AKHDSKFASA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000570507764 435625735 /nfs/dbraw/zinc/62/57/35/435625735.db2.gz WPCPNFOXORARRY-AKHDSKFASA-N 2 1 308.510 3.124 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000540977094 435630248 /nfs/dbraw/zinc/63/02/48/435630248.db2.gz SUYUWRRAISDTCZ-GDBMZVCRSA-N 2 1 312.461 3.306 20 0 DGADMP C[C@H]1C[C@@H](CC[NH2+][C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000540314964 435595067 /nfs/dbraw/zinc/59/50/67/435595067.db2.gz BDISJWGGVNESFL-ONCXSQPRSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccncc2Cl)C1 ZINC000540285844 435596201 /nfs/dbraw/zinc/59/62/01/435596201.db2.gz QMDRZKGACNYTBS-ZFWWWQNUSA-N 2 1 301.821 3.404 20 0 DGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000540285844 435596207 /nfs/dbraw/zinc/59/62/07/435596207.db2.gz QMDRZKGACNYTBS-ZFWWWQNUSA-N 2 1 301.821 3.404 20 0 DGADMP CCCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1OC ZINC000570223494 435600664 /nfs/dbraw/zinc/60/06/64/435600664.db2.gz YFDAGYHRANJRHE-QZTJIDSGSA-N 2 1 307.482 3.412 20 0 DGADMP CCCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1OC ZINC000570223494 435600666 /nfs/dbraw/zinc/60/06/66/435600666.db2.gz YFDAGYHRANJRHE-QZTJIDSGSA-N 2 1 307.482 3.412 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649489846 435604143 /nfs/dbraw/zinc/60/41/43/435604143.db2.gz JMDDAIJESFNUDU-UHFFFAOYSA-N 2 1 318.509 3.163 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649489846 435604147 /nfs/dbraw/zinc/60/41/47/435604147.db2.gz JMDDAIJESFNUDU-UHFFFAOYSA-N 2 1 318.509 3.163 20 0 DGADMP CC(C)c1[nH+]c(CN2CCC(C[NH+](C)C)CC2)c2ccccn21 ZINC000570807137 435652110 /nfs/dbraw/zinc/65/21/10/435652110.db2.gz OJMBQOIZJKFLQN-UHFFFAOYSA-N 2 1 314.477 3.231 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155619 435672590 /nfs/dbraw/zinc/67/25/90/435672590.db2.gz DEBWUWSKOIPAJA-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155619 435672594 /nfs/dbraw/zinc/67/25/94/435672594.db2.gz DEBWUWSKOIPAJA-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155619 435672596 /nfs/dbraw/zinc/67/25/96/435672596.db2.gz DEBWUWSKOIPAJA-NSHGMRRFSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000519161850 435673944 /nfs/dbraw/zinc/67/39/44/435673944.db2.gz QIECVRZPOZYJMD-CVEARBPZSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000519161850 435673948 /nfs/dbraw/zinc/67/39/48/435673948.db2.gz QIECVRZPOZYJMD-CVEARBPZSA-N 2 1 310.507 3.235 20 0 DGADMP CC[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000519161850 435673953 /nfs/dbraw/zinc/67/39/53/435673953.db2.gz QIECVRZPOZYJMD-CVEARBPZSA-N 2 1 310.507 3.235 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000571175722 435684859 /nfs/dbraw/zinc/68/48/59/435684859.db2.gz KXHAMSJBMYMOQE-WBVHZDCISA-N 2 1 312.461 3.307 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000571175722 435684863 /nfs/dbraw/zinc/68/48/63/435684863.db2.gz KXHAMSJBMYMOQE-WBVHZDCISA-N 2 1 312.461 3.307 20 0 DGADMP Cc1nc2ccc(NC(=O)CC[N@@H+](C)C3CCCCC3)cc2[nH]1 ZINC000548392273 435688286 /nfs/dbraw/zinc/68/82/86/435688286.db2.gz ONLYBZRBIMKHCN-UHFFFAOYSA-N 2 1 314.433 3.464 20 0 DGADMP Cc1nc2ccc(NC(=O)CC[N@H+](C)C3CCCCC3)cc2[nH]1 ZINC000548392273 435688293 /nfs/dbraw/zinc/68/82/93/435688293.db2.gz ONLYBZRBIMKHCN-UHFFFAOYSA-N 2 1 314.433 3.464 20 0 DGADMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000519633785 435695111 /nfs/dbraw/zinc/69/51/11/435695111.db2.gz ZHCMWRIZANHPGX-KRWDZBQOSA-N 2 1 309.542 3.161 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000655695425 435731721 /nfs/dbraw/zinc/73/17/21/435731721.db2.gz XKZARPSTYIYASY-SFHVURJKSA-N 2 1 312.461 3.350 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655700452 435734017 /nfs/dbraw/zinc/73/40/17/435734017.db2.gz IMTHZEAZDVNRHN-LPHOPBHVSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655703873 435735279 /nfs/dbraw/zinc/73/52/79/435735279.db2.gz XHHXMMIRUSAXKV-QFBILLFUSA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655703873 435735283 /nfs/dbraw/zinc/73/52/83/435735283.db2.gz XHHXMMIRUSAXKV-QFBILLFUSA-N 2 1 324.472 3.348 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655702160 435738196 /nfs/dbraw/zinc/73/81/96/435738196.db2.gz YSGZBZLENGDWJX-YLJYHZDGSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655710894 435744911 /nfs/dbraw/zinc/74/49/11/435744911.db2.gz GUPKIYVEZSAHKU-LPHOPBHVSA-N 2 1 302.462 3.023 20 0 DGADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655716675 435746655 /nfs/dbraw/zinc/74/66/55/435746655.db2.gz XAKYAUIFFGBVED-AOIWGVFYSA-N 2 1 308.510 3.436 20 0 DGADMP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655728679 435753970 /nfs/dbraw/zinc/75/39/70/435753970.db2.gz XYIYDZBYOXUGGV-YLJYHZDGSA-N 2 1 316.489 3.332 20 0 DGADMP CC(C)C1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655735911 435757296 /nfs/dbraw/zinc/75/72/96/435757296.db2.gz ZUCNPELOYRMCNN-TVPLGVNVSA-N 2 1 308.510 3.292 20 0 DGADMP C=Cc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655770005 435787930 /nfs/dbraw/zinc/78/79/30/435787930.db2.gz VWGBWBOEOCSTMV-FQEVSTJZSA-N 2 1 314.473 3.105 20 0 DGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OCC ZINC000572158250 435788756 /nfs/dbraw/zinc/78/87/56/435788756.db2.gz HBODIZAOIZMHBO-QGZVFWFLSA-N 2 1 320.477 3.435 20 0 DGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OCC ZINC000572158250 435788761 /nfs/dbraw/zinc/78/87/61/435788761.db2.gz HBODIZAOIZMHBO-QGZVFWFLSA-N 2 1 320.477 3.435 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC(F)(F)F ZINC000655775571 435789116 /nfs/dbraw/zinc/78/91/16/435789116.db2.gz BAXYIRGPGIKQCZ-UKRRQHHQSA-N 2 1 322.415 3.198 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1(C2CCC2)CCC1 ZINC000655775065 435789713 /nfs/dbraw/zinc/78/97/13/435789713.db2.gz NXGBFKJRMCFTAA-GOSISDBHSA-N 2 1 306.494 3.190 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000641708165 435792247 /nfs/dbraw/zinc/79/22/47/435792247.db2.gz PQFMOZYQIGUCHR-RTBURBONSA-N 2 1 324.472 3.286 20 0 DGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000641708165 435792253 /nfs/dbraw/zinc/79/22/53/435792253.db2.gz PQFMOZYQIGUCHR-RTBURBONSA-N 2 1 324.472 3.286 20 0 DGADMP Cc1nocc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000646161237 435801227 /nfs/dbraw/zinc/80/12/27/435801227.db2.gz UBYJRLQHRDWWFL-UHFFFAOYSA-N 2 1 314.433 3.117 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000660558067 435804735 /nfs/dbraw/zinc/80/47/35/435804735.db2.gz QYFJXRJJNDBDIH-CABCVRRESA-N 2 1 318.436 3.331 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000660558067 435804740 /nfs/dbraw/zinc/80/47/40/435804740.db2.gz QYFJXRJJNDBDIH-CABCVRRESA-N 2 1 318.436 3.331 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000550622056 435805796 /nfs/dbraw/zinc/80/57/96/435805796.db2.gz RXTTZNMVCGPKTA-IBGZPJMESA-N 2 1 321.553 3.497 20 0 DGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651730631 435809514 /nfs/dbraw/zinc/80/95/14/435809514.db2.gz TVQMBKGTLCSDDF-UHFFFAOYSA-N 2 1 316.489 3.154 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000551032806 435818899 /nfs/dbraw/zinc/81/88/99/435818899.db2.gz YWNCFOPMSMGCER-RCCFBDPRSA-N 2 1 304.478 3.473 20 0 DGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000551032806 435818902 /nfs/dbraw/zinc/81/89/02/435818902.db2.gz YWNCFOPMSMGCER-RCCFBDPRSA-N 2 1 304.478 3.473 20 0 DGADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551169739 435822034 /nfs/dbraw/zinc/82/20/34/435822034.db2.gz LDJCBFOVDGKISL-ROUUACIJSA-N 2 1 304.478 3.474 20 0 DGADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551169739 435822039 /nfs/dbraw/zinc/82/20/39/435822039.db2.gz LDJCBFOVDGKISL-ROUUACIJSA-N 2 1 304.478 3.474 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646821 435779382 /nfs/dbraw/zinc/77/93/82/435779382.db2.gz SJYPFMKUEAEKBN-CQSZACIVSA-N 2 1 324.440 3.007 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551032565 435820982 /nfs/dbraw/zinc/82/09/82/435820982.db2.gz VXLUXKSEWAVKJF-IHPCNDPISA-N 2 1 318.505 3.456 20 0 DGADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551032565 435820989 /nfs/dbraw/zinc/82/09/89/435820989.db2.gz VXLUXKSEWAVKJF-IHPCNDPISA-N 2 1 318.505 3.456 20 0 DGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1C ZINC000655764752 435784084 /nfs/dbraw/zinc/78/40/84/435784084.db2.gz QTANYFKBMMJRRP-SFNKJDCFSA-N 2 1 308.510 3.292 20 0 DGADMP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655763084 435784519 /nfs/dbraw/zinc/78/45/19/435784519.db2.gz KMXPPUKNJFWWKO-GDBMZVCRSA-N 2 1 316.436 3.045 20 0 DGADMP c1ccc([C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655770278 435785900 /nfs/dbraw/zinc/78/59/00/435785900.db2.gz FJGBVZHNKIBCOH-VQTJNVASSA-N 2 1 314.473 3.023 20 0 DGADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651789856 435828747 /nfs/dbraw/zinc/82/87/47/435828747.db2.gz BJIYXFZFEDGBNK-KRWDZBQOSA-N 2 1 321.424 3.440 20 0 DGADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651789856 435828753 /nfs/dbraw/zinc/82/87/53/435828753.db2.gz BJIYXFZFEDGBNK-KRWDZBQOSA-N 2 1 321.424 3.440 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000551329254 435830884 /nfs/dbraw/zinc/83/08/84/435830884.db2.gz ZWFDWMKLESZIQG-HOTGVXAUSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000551329254 435830894 /nfs/dbraw/zinc/83/08/94/435830894.db2.gz ZWFDWMKLESZIQG-HOTGVXAUSA-N 2 1 314.477 3.372 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000655839159 435833745 /nfs/dbraw/zinc/83/37/45/435833745.db2.gz SPBBJJFVYLQCSU-SFHVURJKSA-N 2 1 323.484 3.309 20 0 DGADMP C1CCC([NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000655848947 435838195 /nfs/dbraw/zinc/83/81/95/435838195.db2.gz MGTCLGZCNBNKJF-VQTJNVASSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)CC1 ZINC000655848947 435838203 /nfs/dbraw/zinc/83/82/03/435838203.db2.gz MGTCLGZCNBNKJF-VQTJNVASSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000655848946 435838899 /nfs/dbraw/zinc/83/88/99/435838899.db2.gz MGTCLGZCNBNKJF-UXHICEINSA-N 2 1 319.537 3.390 20 0 DGADMP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)CC1 ZINC000655848946 435838905 /nfs/dbraw/zinc/83/89/05/435838905.db2.gz MGTCLGZCNBNKJF-UXHICEINSA-N 2 1 319.537 3.390 20 0 DGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Br)cc1)C2 ZINC000660655255 435841654 /nfs/dbraw/zinc/84/16/54/435841654.db2.gz LIWIESQBEFSLHC-INIZCTEOSA-N 2 1 323.278 3.367 20 0 DGADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000651845167 435845027 /nfs/dbraw/zinc/84/50/27/435845027.db2.gz FAYVDBDYDTVBCX-QRVBRYPASA-N 2 1 318.505 3.373 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000572642171 435849494 /nfs/dbraw/zinc/84/94/94/435849494.db2.gz RUUCRLWBOUDSLW-QDGKJQRMSA-N 2 1 314.473 3.054 20 0 DGADMP Fc1cccc(F)c1CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000655941335 435864585 /nfs/dbraw/zinc/86/45/85/435864585.db2.gz QNRYJRCWQGHEAW-LSDHHAIUSA-N 2 1 308.416 3.219 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000655940297 435865641 /nfs/dbraw/zinc/86/56/41/435865641.db2.gz QNMQZRVPBWPTOY-JZXOWHBKSA-N 2 1 322.880 3.367 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801099 435867480 /nfs/dbraw/zinc/86/74/80/435867480.db2.gz OAOQJPKFOAVWEB-UKRRQHHQSA-N 2 1 310.869 3.178 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000572404706 435823522 /nfs/dbraw/zinc/82/35/22/435823522.db2.gz UWMRONSRFGUTBQ-ZWKOTPCHSA-N 2 1 302.462 3.297 20 0 DGADMP C[C@H]([NH2+]CCC1(CO)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652038576 435894242 /nfs/dbraw/zinc/89/42/42/435894242.db2.gz YIMOGTNHGHAZTF-HKUYNNGSSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000652037819 435894486 /nfs/dbraw/zinc/89/44/86/435894486.db2.gz ZQLLFSRFGGMKBG-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000652037819 435894488 /nfs/dbraw/zinc/89/44/88/435894488.db2.gz ZQLLFSRFGGMKBG-MJGOQNOKSA-N 2 1 316.489 3.182 20 0 DGADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652145051 435913721 /nfs/dbraw/zinc/91/37/21/435913721.db2.gz BKMLSOMNUXMORA-ZFWWWQNUSA-N 2 1 324.465 3.093 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1OC ZINC000652220959 435925610 /nfs/dbraw/zinc/92/56/10/435925610.db2.gz NGQYTWLNIJKKLP-HNNXBMFYSA-N 2 1 308.466 3.332 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1OC ZINC000652220959 435925613 /nfs/dbraw/zinc/92/56/13/435925613.db2.gz NGQYTWLNIJKKLP-HNNXBMFYSA-N 2 1 308.466 3.332 20 0 DGADMP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000665240800 435926758 /nfs/dbraw/zinc/92/67/58/435926758.db2.gz SSVFBNSLDKDABA-AYBZRNKSSA-N 2 1 320.477 3.283 20 0 DGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000665248207 435929193 /nfs/dbraw/zinc/92/91/93/435929193.db2.gz RSYGQOAVCFZTNE-AWEZNQCLSA-N 2 1 313.367 3.339 20 0 DGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCSCC1 ZINC000665252229 435931006 /nfs/dbraw/zinc/93/10/06/435931006.db2.gz KMYNFIYJOALTPU-ZTFGCOKTSA-N 2 1 304.503 3.253 20 0 DGADMP CCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259797 435931875 /nfs/dbraw/zinc/93/18/75/435931875.db2.gz QLBWMOHTQBBGCZ-BFYDXBDKSA-N 2 1 308.441 3.448 20 0 DGADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665262271 435932186 /nfs/dbraw/zinc/93/21/86/435932186.db2.gz XJCSUCFFEIMDDU-ZTFRIQLXSA-N 2 1 318.367 3.467 20 0 DGADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665262264 435932393 /nfs/dbraw/zinc/93/23/93/435932393.db2.gz XJCSUCFFEIMDDU-GOPGUHFVSA-N 2 1 318.367 3.467 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)[C@@H]1C[C@@H]1C ZINC000665259683 435932713 /nfs/dbraw/zinc/93/27/13/435932713.db2.gz MUPWFJJLGCDCED-FPHDVWFLSA-N 2 1 320.452 3.304 20 0 DGADMP COc1cccc(C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)c1 ZINC000665278258 435935426 /nfs/dbraw/zinc/93/54/26/435935426.db2.gz ZKHFWJAYMAUKMJ-TWMPVWRBSA-N 2 1 322.452 3.321 20 0 DGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000652358535 435959330 /nfs/dbraw/zinc/95/93/30/435959330.db2.gz PWWHWQGFFSNXCL-QZTJIDSGSA-N 2 1 302.462 3.092 20 0 DGADMP CC(C)Cn1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000647171472 435959751 /nfs/dbraw/zinc/95/97/51/435959751.db2.gz LDWZEYNLJZUJLD-QGZVFWFLSA-N 2 1 306.498 3.283 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707288 435994523 /nfs/dbraw/zinc/99/45/23/435994523.db2.gz CIYWKADLSFZFMO-LULLPPNCSA-N 2 1 302.462 3.008 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000650706951 435994588 /nfs/dbraw/zinc/99/45/88/435994588.db2.gz VVQRKEJOPGBNRH-FCEWJHQRSA-N 2 1 314.429 3.151 20 0 DGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708396 435994938 /nfs/dbraw/zinc/99/49/38/435994938.db2.gz ZCJJPBFRIHVBKC-FRQCXROJSA-N 2 1 320.452 3.106 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000665281845 435937687 /nfs/dbraw/zinc/93/76/87/435937687.db2.gz LPJHJGVPPFNMEI-GOEBONIOSA-N 2 1 300.450 3.111 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000665282290 435938370 /nfs/dbraw/zinc/93/83/70/435938370.db2.gz VBFCEWBLUHHGMC-QZTJIDSGSA-N 2 1 301.409 3.273 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(CO)CCC1 ZINC000652310435 435947631 /nfs/dbraw/zinc/94/76/31/435947631.db2.gz GTCNADRFTIJOAJ-MJGOQNOKSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348126 435953655 /nfs/dbraw/zinc/95/36/55/435953655.db2.gz VGRKMTHDLVOXBS-SDCOAXJVSA-N 2 1 324.415 3.244 20 0 DGADMP FC1(F)CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000647168768 435957566 /nfs/dbraw/zinc/95/75/66/435957566.db2.gz LBGOFAYGVYHNHP-UHFFFAOYSA-N 2 1 324.415 3.186 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710210 435997817 /nfs/dbraw/zinc/99/78/17/435997817.db2.gz HWSRAQNJBUMAND-FGTMMUONSA-N 3 1 307.526 3.009 20 0 DGADMP CCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650708749 435998909 /nfs/dbraw/zinc/99/89/09/435998909.db2.gz KXUOPXFXIIUDRE-LPHOPBHVSA-N 2 1 318.461 3.045 20 0 DGADMP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000650710720 435999778 /nfs/dbraw/zinc/99/97/78/435999778.db2.gz XYLHENHMGGWHDZ-OAHLLOKOSA-N 2 1 315.392 3.245 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000650708699 435999785 /nfs/dbraw/zinc/99/97/85/435999785.db2.gz JFMBBLGUXJQPJY-VAMGGRTRSA-N 2 1 314.473 3.282 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CNc4ccccc4C3)CC2)cc1 ZINC000650716298 436003732 /nfs/dbraw/zinc/00/37/32/436003732.db2.gz WRPVJANNSFGIJT-HXUWFJFHSA-N 2 1 321.468 3.277 20 0 DGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722144 436005084 /nfs/dbraw/zinc/00/50/84/436005084.db2.gz MHDFYLONNAUSCS-IPMKNSEASA-N 2 1 302.462 3.110 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000650722675 436006624 /nfs/dbraw/zinc/00/66/24/436006624.db2.gz ZDLCVRPWTHPYJL-BNOWGMLFSA-N 2 1 314.882 3.262 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000650723947 436008472 /nfs/dbraw/zinc/00/84/72/436008472.db2.gz WDEDJACFGNRMHN-AXUOBQJMSA-N 2 1 320.452 3.290 20 0 DGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1C ZINC000656700411 436012712 /nfs/dbraw/zinc/01/27/12/436012712.db2.gz KBGPKDJXUCDICE-RBUKOAKNSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1C ZINC000656700411 436012714 /nfs/dbraw/zinc/01/27/14/436012714.db2.gz KBGPKDJXUCDICE-RBUKOAKNSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700411 436012720 /nfs/dbraw/zinc/01/27/20/436012720.db2.gz KBGPKDJXUCDICE-RBUKOAKNSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1C ZINC000656700411 436012724 /nfs/dbraw/zinc/01/27/24/436012724.db2.gz KBGPKDJXUCDICE-RBUKOAKNSA-N 2 1 304.478 3.141 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650764118 436025416 /nfs/dbraw/zinc/02/54/16/436025416.db2.gz QOLYIOAOBMUQST-XLIONFOSSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000650764118 436025418 /nfs/dbraw/zinc/02/54/18/436025418.db2.gz QOLYIOAOBMUQST-XLIONFOSSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000647343993 436025924 /nfs/dbraw/zinc/02/59/24/436025924.db2.gz HHVWMPKKHKJONN-HBGVWJBISA-N 2 1 324.468 3.175 20 0 DGADMP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344607 436026605 /nfs/dbraw/zinc/02/66/05/436026605.db2.gz VIRDAADJWSEMCY-XWSJACJDSA-N 2 1 316.489 3.125 20 0 DGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784395 436042250 /nfs/dbraw/zinc/04/22/50/436042250.db2.gz CZCAZTPKAWLEBE-ZLHKHBAESA-N 2 1 314.473 3.420 20 0 DGADMP Fc1cc(F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656786503 436044268 /nfs/dbraw/zinc/04/42/68/436044268.db2.gz TZCNRATXKDKIMQ-CYBMUJFWSA-N 2 1 312.379 3.316 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786989 436045729 /nfs/dbraw/zinc/04/57/29/436045729.db2.gz ZAXLOQNSPMRVDL-GOSISDBHSA-N 2 1 324.472 3.288 20 0 DGADMP CCOc1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785907 436046117 /nfs/dbraw/zinc/04/61/17/436046117.db2.gz NCWWGTKBNWWABQ-QGZVFWFLSA-N 2 1 302.462 3.297 20 0 DGADMP Fc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(F)c1F ZINC000656786646 436046154 /nfs/dbraw/zinc/04/61/54/436046154.db2.gz VLZFPYLVOSQDBH-CQSZACIVSA-N 2 1 312.379 3.316 20 0 DGADMP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000656787697 436046873 /nfs/dbraw/zinc/04/68/73/436046873.db2.gz SBPQLSBLBUYEEX-CQSZACIVSA-N 2 1 309.885 3.144 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC1([NH3+])CCCC1 ZINC000656788502 436048275 /nfs/dbraw/zinc/04/82/75/436048275.db2.gz RZPNBCLDMOYMQY-UHFFFAOYSA-N 2 1 303.494 3.006 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650707289 435995724 /nfs/dbraw/zinc/99/57/24/435995724.db2.gz CIYWKADLSFZFMO-QXCFHYIPSA-N 2 1 302.462 3.008 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3sccc3Cl)C2)C1 ZINC000650707451 435996309 /nfs/dbraw/zinc/99/63/09/435996309.db2.gz GQXROOQZKPYQNA-SCRDCRAPSA-N 2 1 314.882 3.120 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)s1 ZINC000650707281 435996726 /nfs/dbraw/zinc/99/67/26/435996726.db2.gz CBOUAHYPHPBHNH-XIRDDKMYSA-N 2 1 308.491 3.083 20 0 DGADMP c1ccc(OCCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647479506 436060452 /nfs/dbraw/zinc/06/04/52/436060452.db2.gz JRWIGZWAFWDUDF-PKOBYXMFSA-N 2 1 302.462 3.310 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480492 436060596 /nfs/dbraw/zinc/06/05/96/436060596.db2.gz PMDVFKYJBGDGNF-ZFWWWQNUSA-N 2 1 316.474 3.102 20 0 DGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480492 436060601 /nfs/dbraw/zinc/06/06/01/436060601.db2.gz PMDVFKYJBGDGNF-ZFWWWQNUSA-N 2 1 316.474 3.102 20 0 DGADMP FC(F)COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482944 436062381 /nfs/dbraw/zinc/06/23/81/436062381.db2.gz LYGHHWPGESVZCO-UHFFFAOYSA-N 2 1 310.388 3.047 20 0 DGADMP c1ccc(OCCCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482694 436064431 /nfs/dbraw/zinc/06/44/31/436064431.db2.gz YTPOCMBXNCIQQM-UHFFFAOYSA-N 2 1 302.462 3.452 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498156 436065168 /nfs/dbraw/zinc/06/51/68/436065168.db2.gz BOZTXTUTVWSIEA-CJNGLKHVSA-N 2 1 301.459 3.369 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498156 436065174 /nfs/dbraw/zinc/06/51/74/436065174.db2.gz BOZTXTUTVWSIEA-CJNGLKHVSA-N 2 1 301.459 3.369 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498352 436066282 /nfs/dbraw/zinc/06/62/82/436066282.db2.gz FXPQVSWRKMZEOC-IAGOWNOFSA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OCC ZINC000647498352 436066291 /nfs/dbraw/zinc/06/62/91/436066291.db2.gz FXPQVSWRKMZEOC-IAGOWNOFSA-N 2 1 320.477 3.433 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000647498768 436066529 /nfs/dbraw/zinc/06/65/29/436066529.db2.gz QFUJYPVRLXMFRR-AUUYWEPGSA-N 2 1 313.420 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000647498768 436066533 /nfs/dbraw/zinc/06/65/33/436066533.db2.gz QFUJYPVRLXMFRR-AUUYWEPGSA-N 2 1 313.420 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)CC[C@H]1[NH3+] ZINC000647498783 436066637 /nfs/dbraw/zinc/06/66/37/436066637.db2.gz QMSRXVIBHGQYBT-LSDHHAIUSA-N 2 1 312.404 3.464 20 0 DGADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498855 436066640 /nfs/dbraw/zinc/06/66/40/436066640.db2.gz SDRKLBXBVFNPQG-YOEHRIQHSA-N 2 1 318.852 3.085 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498855 436066641 /nfs/dbraw/zinc/06/66/41/436066641.db2.gz SDRKLBXBVFNPQG-YOEHRIQHSA-N 2 1 318.852 3.085 20 0 DGADMP CC[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000647498383 436067429 /nfs/dbraw/zinc/06/74/29/436067429.db2.gz GJYSXKCEPRHTTP-BLLLJJGKSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000647498383 436067432 /nfs/dbraw/zinc/06/74/32/436067432.db2.gz GJYSXKCEPRHTTP-BLLLJJGKSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000647509888 436068488 /nfs/dbraw/zinc/06/84/88/436068488.db2.gz OLFJHJKDRTZZOM-SQWLQELKSA-N 2 1 306.450 3.042 20 0 DGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647509876 436069141 /nfs/dbraw/zinc/06/91/41/436069141.db2.gz KZPWHALSPCZLPF-ZFWWWQNUSA-N 2 1 324.428 3.002 20 0 DGADMP COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OCC(C)C ZINC000647531460 436073478 /nfs/dbraw/zinc/07/34/78/436073478.db2.gz YAVJRNSZVPJPBJ-UHFFFAOYSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC ZINC000647535666 436075251 /nfs/dbraw/zinc/07/52/51/436075251.db2.gz SOHQXXBVXOJMOL-JKSUJKDBSA-N 2 1 320.477 3.433 20 0 DGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC[NH2+]C1 ZINC000647537380 436075978 /nfs/dbraw/zinc/07/59/78/436075978.db2.gz XEPRLNAUVXIPRR-RDTXWAMCSA-N 2 1 315.486 3.475 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542891 436077224 /nfs/dbraw/zinc/07/72/24/436077224.db2.gz DKDIQTXKRXGKFQ-OKZBNKHCSA-N 2 1 314.473 3.264 20 0 DGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543844 436077826 /nfs/dbraw/zinc/07/78/26/436077826.db2.gz STXOVNVNZLGHAE-LSDHHAIUSA-N 2 1 307.507 3.478 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1C ZINC000647544164 436081543 /nfs/dbraw/zinc/08/15/43/436081543.db2.gz XPYIOATVLLWHCW-ZWKOTPCHSA-N 2 1 302.462 3.215 20 0 DGADMP Cc1ccc(C)c(OCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814322 436127962 /nfs/dbraw/zinc/12/79/62/436127962.db2.gz IOPCDASMFBYMEN-UHFFFAOYSA-N 2 1 302.462 3.289 20 0 DGADMP Clc1cccc(OCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815021 436128602 /nfs/dbraw/zinc/12/86/02/436128602.db2.gz LLAXLMKZRHQWIV-UHFFFAOYSA-N 2 1 308.853 3.325 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657314340 436131193 /nfs/dbraw/zinc/13/11/93/436131193.db2.gz ZZQKCORWDMISIE-HZPDHXFCSA-N 2 1 318.509 3.145 20 0 DGADMP COc1cc(C)c(C[N@@H+](C)CCCC2CC[NH2+]CC2)cc1OC ZINC000647872647 436138720 /nfs/dbraw/zinc/13/87/20/436138720.db2.gz MXULWGFFEATYGZ-UHFFFAOYSA-N 2 1 320.477 3.224 20 0 DGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647877131 436139404 /nfs/dbraw/zinc/13/94/04/436139404.db2.gz JGTCHOOQWDZLOE-CQSZACIVSA-N 2 1 311.267 3.269 20 0 DGADMP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1F ZINC000661659455 436141320 /nfs/dbraw/zinc/14/13/20/436141320.db2.gz ZBQCMECHWKBFQB-NVXWUHKLSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1F ZINC000661659455 436141323 /nfs/dbraw/zinc/14/13/23/436141323.db2.gz ZBQCMECHWKBFQB-NVXWUHKLSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1F ZINC000661659455 436141328 /nfs/dbraw/zinc/14/13/28/436141328.db2.gz ZBQCMECHWKBFQB-NVXWUHKLSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1F ZINC000661659455 436141337 /nfs/dbraw/zinc/14/13/37/436141337.db2.gz ZBQCMECHWKBFQB-NVXWUHKLSA-N 2 1 306.425 3.456 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647886610 436143579 /nfs/dbraw/zinc/14/35/79/436143579.db2.gz AZGRDBUAKOKOLY-KRWDZBQOSA-N 2 1 302.462 3.264 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000657338950 436145601 /nfs/dbraw/zinc/14/56/01/436145601.db2.gz XRAGYJYMSWIVLI-HRCADAONSA-N 2 1 308.491 3.117 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000657338950 436145604 /nfs/dbraw/zinc/14/56/04/436145604.db2.gz XRAGYJYMSWIVLI-HRCADAONSA-N 2 1 308.491 3.117 20 0 DGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000657336969 436145712 /nfs/dbraw/zinc/14/57/12/436145712.db2.gz CDSXGVJZVCOXGZ-UHFFFAOYSA-N 2 1 312.461 3.384 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)[nH]n1 ZINC000651232955 436146126 /nfs/dbraw/zinc/14/61/26/436146126.db2.gz HEBNIQFWZFCKPI-VAMGGRTRSA-N 2 1 324.472 3.251 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)[nH]n1 ZINC000651232955 436146129 /nfs/dbraw/zinc/14/61/29/436146129.db2.gz HEBNIQFWZFCKPI-VAMGGRTRSA-N 2 1 324.472 3.251 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657337380 436146748 /nfs/dbraw/zinc/14/67/48/436146748.db2.gz SMIDGORYDKYSBS-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657337380 436146752 /nfs/dbraw/zinc/14/67/52/436146752.db2.gz SMIDGORYDKYSBS-LBPRGKRZSA-N 2 1 316.367 3.249 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000653279476 436151978 /nfs/dbraw/zinc/15/19/78/436151978.db2.gz GZJFBUIFWSKNHN-GOEBONIOSA-N 2 1 306.450 3.186 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000653279476 436151983 /nfs/dbraw/zinc/15/19/83/436151983.db2.gz GZJFBUIFWSKNHN-GOEBONIOSA-N 2 1 306.450 3.186 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC ZINC000653279448 436152673 /nfs/dbraw/zinc/15/26/73/436152673.db2.gz CKJUEUPADVZIID-YCPHGPKFSA-N 2 1 306.450 3.184 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC ZINC000653279448 436152676 /nfs/dbraw/zinc/15/26/76/436152676.db2.gz CKJUEUPADVZIID-YCPHGPKFSA-N 2 1 306.450 3.184 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1[NH3+] ZINC000647936992 436153053 /nfs/dbraw/zinc/15/30/53/436153053.db2.gz PCKSFYPBCUSYPL-MLGOLLRUSA-N 2 1 303.381 3.040 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1[NH3+] ZINC000647936992 436153057 /nfs/dbraw/zinc/15/30/57/436153057.db2.gz PCKSFYPBCUSYPL-MLGOLLRUSA-N 2 1 303.381 3.040 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647790370 436121698 /nfs/dbraw/zinc/12/16/98/436121698.db2.gz XBGYLVZXDJYZFQ-SLFFLAALSA-N 3 1 315.505 3.005 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)[C@@H]1CCCC[NH2+]1 ZINC000647800402 436123227 /nfs/dbraw/zinc/12/32/27/436123227.db2.gz ASBTZGCYVLOBLN-KKUMJFAQSA-N 2 1 306.475 3.050 20 0 DGADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651274763 436157734 /nfs/dbraw/zinc/15/77/34/436157734.db2.gz LJFOXYHTDKFBFO-IPMKNSEASA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc([C@@H]2CCCCCN2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964361 436161259 /nfs/dbraw/zinc/16/12/59/436161259.db2.gz GBFJMMDONONNOA-IRXDYDNUSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964361 436161266 /nfs/dbraw/zinc/16/12/66/436161266.db2.gz GBFJMMDONONNOA-IRXDYDNUSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964361 436161271 /nfs/dbraw/zinc/16/12/71/436161271.db2.gz GBFJMMDONONNOA-IRXDYDNUSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964361 436161278 /nfs/dbraw/zinc/16/12/78/436161278.db2.gz GBFJMMDONONNOA-IRXDYDNUSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964361 436161283 /nfs/dbraw/zinc/16/12/83/436161283.db2.gz GBFJMMDONONNOA-IRXDYDNUSA-N 2 1 308.466 3.206 20 0 DGADMP Cc1cccc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1C ZINC000647965382 436161838 /nfs/dbraw/zinc/16/18/38/436161838.db2.gz UVJGNICAJHLPSO-IEBWSBKVSA-N 2 1 304.478 3.141 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1C ZINC000647965382 436161845 /nfs/dbraw/zinc/16/18/45/436161845.db2.gz UVJGNICAJHLPSO-IEBWSBKVSA-N 2 1 304.478 3.141 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000647997635 436171511 /nfs/dbraw/zinc/17/15/11/436171511.db2.gz UWVPWFSKJBZCMT-IEBWSBKVSA-N 2 1 302.462 3.392 20 0 DGADMP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000648068368 436200414 /nfs/dbraw/zinc/20/04/14/436200414.db2.gz UXFZNSIVEYQUQG-YDZRNGNQSA-N 2 1 318.530 3.452 20 0 DGADMP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000653590456 436218164 /nfs/dbraw/zinc/21/81/64/436218164.db2.gz CHMYLYGFAAIOML-HIFRSBDPSA-N 2 1 323.400 3.021 20 0 DGADMP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000653590456 436218167 /nfs/dbraw/zinc/21/81/67/436218167.db2.gz CHMYLYGFAAIOML-HIFRSBDPSA-N 2 1 323.400 3.021 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)ccc1OC(F)F)C1CC1 ZINC000657488211 436224818 /nfs/dbraw/zinc/22/48/18/436224818.db2.gz PINYUXROFJPWHI-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP CCCn1nccc1CNCCC[N@@H+](CC)C1CCCCC1 ZINC000657501385 436230780 /nfs/dbraw/zinc/23/07/80/436230780.db2.gz SQKCXYRYYQYYKI-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP CCCn1nccc1C[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000657501385 436230784 /nfs/dbraw/zinc/23/07/84/436230784.db2.gz SQKCXYRYYQYYKI-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP CCCn1nccc1C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000657501385 436230788 /nfs/dbraw/zinc/23/07/88/436230788.db2.gz SQKCXYRYYQYYKI-UHFFFAOYSA-N 2 1 306.498 3.427 20 0 DGADMP Cc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662153718 436289093 /nfs/dbraw/zinc/28/90/93/436289093.db2.gz TUMCWGVWNKKCMX-IEBWSBKVSA-N 2 1 316.489 3.204 20 0 DGADMP CCCOc1c(C[NH2+][C@@H]2CCC[NH2+]CC2)cccc1OCC ZINC000666855486 436294724 /nfs/dbraw/zinc/29/47/24/436294724.db2.gz VCQRZGNFZWPLRH-MRXNPFEDSA-N 2 1 306.450 3.106 20 0 DGADMP CCCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OCCC)c1 ZINC000666855274 436295148 /nfs/dbraw/zinc/29/51/48/436295148.db2.gz IYXROGNFFMYGEO-KRWDZBQOSA-N 2 1 320.477 3.496 20 0 DGADMP CCC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000657751394 436295306 /nfs/dbraw/zinc/29/53/06/436295306.db2.gz IFCSUBVPQBLJRC-ICSRJNTNSA-N 2 1 316.489 3.413 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856481 436295750 /nfs/dbraw/zinc/29/57/50/436295750.db2.gz LDMRBWGUXUKJOB-INIZCTEOSA-N 2 1 318.852 3.066 20 0 DGADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000657751283 436295771 /nfs/dbraw/zinc/29/57/71/436295771.db2.gz OYGWUKWQPIAVDC-KDOFPFPSSA-N 2 1 322.880 3.286 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000657562344 436245621 /nfs/dbraw/zinc/24/56/21/436245621.db2.gz GBZWLTKSFYHHDC-KRWDZBQOSA-N 2 1 307.526 3.246 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000662018463 436248781 /nfs/dbraw/zinc/24/87/81/436248781.db2.gz BTABVHBXHAJEPD-MJGOQNOKSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000662018463 436248785 /nfs/dbraw/zinc/24/87/85/436248785.db2.gz BTABVHBXHAJEPD-MJGOQNOKSA-N 2 1 301.478 3.072 20 0 DGADMP CN(c1ccccc1)[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000662018463 436248787 /nfs/dbraw/zinc/24/87/87/436248787.db2.gz BTABVHBXHAJEPD-MJGOQNOKSA-N 2 1 301.478 3.072 20 0 DGADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662048841 436257191 /nfs/dbraw/zinc/25/71/91/436257191.db2.gz LZPVIVHBVYZZDX-UHFFFAOYSA-N 2 1 311.429 3.051 20 0 DGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000653776401 436263535 /nfs/dbraw/zinc/26/35/35/436263535.db2.gz DLZDLVHOIPSVAU-SFHVURJKSA-N 2 1 301.409 3.155 20 0 DGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000653776401 436263540 /nfs/dbraw/zinc/26/35/40/436263540.db2.gz DLZDLVHOIPSVAU-SFHVURJKSA-N 2 1 301.409 3.155 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657630965 436265152 /nfs/dbraw/zinc/26/51/52/436265152.db2.gz SQMPIRVSRPDGSC-BHIYHBOVSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000657630965 436265155 /nfs/dbraw/zinc/26/51/55/436265155.db2.gz SQMPIRVSRPDGSC-BHIYHBOVSA-N 2 1 314.473 3.341 20 0 DGADMP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657966559 436347957 /nfs/dbraw/zinc/34/79/57/436347957.db2.gz HUMXZMITWXWWHG-YTQUADARSA-N 2 1 324.472 3.218 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000666872568 436299557 /nfs/dbraw/zinc/29/95/57/436299557.db2.gz XPSYDUXNUKYUOW-YCPHGPKFSA-N 2 1 306.450 3.103 20 0 DGADMP Cc1cccc(OCC[N@H+](C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662248830 436310636 /nfs/dbraw/zinc/31/06/36/436310636.db2.gz KGIGCHMTJROQRP-UHFFFAOYSA-N 2 1 310.441 3.152 20 0 DGADMP C[N@H+](Cc1ccc(F)cc1F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249312 436311483 /nfs/dbraw/zinc/31/14/83/436311483.db2.gz SVNSTTIEAMCDSC-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP C[N@@H+](Cc1ccc(F)cc1F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249312 436311487 /nfs/dbraw/zinc/31/14/87/436311487.db2.gz SVNSTTIEAMCDSC-UHFFFAOYSA-N 2 1 302.368 3.243 20 0 DGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254499 436313230 /nfs/dbraw/zinc/31/32/30/436313230.db2.gz IXFMSIJGIFLECX-RTBURBONSA-N 2 1 314.473 3.433 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000662254373 436313486 /nfs/dbraw/zinc/31/34/86/436313486.db2.gz PSGFSRCKVAPNKY-HRAATJIYSA-N 2 1 322.452 3.294 20 0 DGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251548 436313546 /nfs/dbraw/zinc/31/35/46/436313546.db2.gz FIJNDWZDEUHXTQ-IBGZPJMESA-N 2 1 322.452 3.306 20 0 DGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662258685 436313588 /nfs/dbraw/zinc/31/35/88/436313588.db2.gz ZBPHIXKTYGKWKS-FHWLQOOXSA-N 2 1 314.473 3.084 20 0 DGADMP CC[C@](C)([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nccs1 ZINC000662265852 436315542 /nfs/dbraw/zinc/31/55/42/436315542.db2.gz WFVIKSREIRHHBS-KRWDZBQOSA-N 2 1 301.459 3.204 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCSc3cccc(Cl)c3)C[C@@H]21 ZINC000662267265 436316218 /nfs/dbraw/zinc/31/62/18/436316218.db2.gz UBAZSUZCAMMGDK-VBNZEHGJSA-N 2 1 310.894 3.491 20 0 DGADMP C[NH2+]CCC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662264269 436316876 /nfs/dbraw/zinc/31/68/76/436316876.db2.gz HIDNJSAXEXQSPC-UHFFFAOYSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+](Cc1cc(F)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000662261838 436317638 /nfs/dbraw/zinc/31/76/38/436317638.db2.gz BCSKUDUGUMIFJG-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP CCC[N@@H+](Cc1cc(F)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000662261838 436317639 /nfs/dbraw/zinc/31/76/39/436317639.db2.gz BCSKUDUGUMIFJG-UHFFFAOYSA-N 2 1 316.367 3.391 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1oc2ccccc2c1Br ZINC000662265200 436317876 /nfs/dbraw/zinc/31/78/76/436317876.db2.gz NXLUVZTXCDWMAV-WDEREUQCSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1oc2ccccc2c1Br ZINC000662265200 436317879 /nfs/dbraw/zinc/31/78/79/436317879.db2.gz NXLUVZTXCDWMAV-WDEREUQCSA-N 2 1 323.234 3.364 20 0 DGADMP CCOC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657998991 436353360 /nfs/dbraw/zinc/35/33/60/436353360.db2.gz QMWBDWHGORSLOI-XEVCZEQESA-N 2 1 316.489 3.446 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662292363 436323984 /nfs/dbraw/zinc/32/39/84/436323984.db2.gz DYPBKHUNLDKUJG-RBUKOAKNSA-N 2 1 302.462 3.086 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657999087 436353402 /nfs/dbraw/zinc/35/34/02/436353402.db2.gz RVPORMSIIRDOFH-ZWKOTPCHSA-N 2 1 304.503 3.384 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662292361 436324383 /nfs/dbraw/zinc/32/43/83/436324383.db2.gz DYPBKHUNLDKUJG-OALUTQOASA-N 2 1 302.462 3.086 20 0 DGADMP COc1cccc([C@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662311366 436327276 /nfs/dbraw/zinc/32/72/76/436327276.db2.gz SAVJILFKZSNPFV-QFBILLFUSA-N 2 1 302.462 3.048 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662314236 436328580 /nfs/dbraw/zinc/32/85/80/436328580.db2.gz CARHCXSVTJQBQR-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662314236 436328586 /nfs/dbraw/zinc/32/85/86/436328586.db2.gz CARHCXSVTJQBQR-CPUCHLNUSA-N 2 1 308.853 3.101 20 0 DGADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662313739 436328970 /nfs/dbraw/zinc/32/89/70/436328970.db2.gz ZVEJGALQAXATDS-SJLPKXTDSA-N 2 1 317.477 3.081 20 0 DGADMP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1Br ZINC000667030394 436329337 /nfs/dbraw/zinc/32/93/37/436329337.db2.gz YHXKYEPMQLWMMP-CHWSQXEVSA-N 2 1 311.267 3.235 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662317321 436329737 /nfs/dbraw/zinc/32/97/37/436329737.db2.gz OMKAUYBUAKIIGX-IBGZPJMESA-N 2 1 304.478 3.353 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662317321 436329742 /nfs/dbraw/zinc/32/97/42/436329742.db2.gz OMKAUYBUAKIIGX-IBGZPJMESA-N 2 1 304.478 3.353 20 0 DGADMP CC(C)c1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662325137 436330194 /nfs/dbraw/zinc/33/01/94/436330194.db2.gz CJTAIEUFUYWBFY-LJQANCHMSA-N 2 1 304.478 3.353 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662325137 436330199 /nfs/dbraw/zinc/33/01/99/436330199.db2.gz CJTAIEUFUYWBFY-LJQANCHMSA-N 2 1 304.478 3.353 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000657889126 436333073 /nfs/dbraw/zinc/33/30/73/436333073.db2.gz OMDDSYCHRNJSPD-HLLBOEOZSA-N 2 1 320.502 3.432 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000657889126 436333077 /nfs/dbraw/zinc/33/30/77/436333077.db2.gz OMDDSYCHRNJSPD-HLLBOEOZSA-N 2 1 320.502 3.432 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000658069144 436364680 /nfs/dbraw/zinc/36/46/80/436364680.db2.gz MNGZSBSQXOBCEO-PMPSAXMXSA-N 2 1 321.896 3.239 20 0 DGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658092725 436371539 /nfs/dbraw/zinc/37/15/39/436371539.db2.gz RKKSUJQQLTZBQS-NZSAHSFTSA-N 2 1 321.553 3.492 20 0 DGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc4c3C[NH2+]C4)c2C1 ZINC000662702871 436379596 /nfs/dbraw/zinc/37/95/96/436379596.db2.gz CMQDLZRKNVIVLH-UHFFFAOYSA-N 2 1 321.424 3.268 20 0 DGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cccc4c3C[NH2+]C4)c2C1 ZINC000662702871 436379602 /nfs/dbraw/zinc/37/96/02/436379602.db2.gz CMQDLZRKNVIVLH-UHFFFAOYSA-N 2 1 321.424 3.268 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@@H](C)C1 ZINC000658123779 436382095 /nfs/dbraw/zinc/38/20/95/436382095.db2.gz NRXBXPXEVNZRFI-QEJZJMRPSA-N 2 1 322.415 3.196 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@@H](C)C1 ZINC000658123779 436382100 /nfs/dbraw/zinc/38/21/00/436382100.db2.gz NRXBXPXEVNZRFI-QEJZJMRPSA-N 2 1 322.415 3.196 20 0 DGADMP CCCC[C@@H](CC)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136833 436385025 /nfs/dbraw/zinc/38/50/25/436385025.db2.gz FJVJBUNTBREWRH-RTBURBONSA-N 2 1 304.478 3.312 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658141156 436386172 /nfs/dbraw/zinc/38/61/72/436386172.db2.gz RJBKTMZJXQOQFE-RDTXWAMCSA-N 2 1 316.470 3.166 20 0 DGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658140790 436386270 /nfs/dbraw/zinc/38/62/70/436386270.db2.gz VMUWZCLAHJSWEM-AABGKKOBSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCCCC1 ZINC000658144648 436386330 /nfs/dbraw/zinc/38/63/30/436386330.db2.gz NHFNSJOGZMTBNJ-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCCCC1 ZINC000658144643 436386788 /nfs/dbraw/zinc/38/67/88/436386788.db2.gz NHFNSJOGZMTBNJ-JXFKEZNVSA-N 2 1 316.489 3.312 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@H]2CCC[C@@H]21 ZINC000658206607 436401477 /nfs/dbraw/zinc/40/14/77/436401477.db2.gz JRZOHSMQUWKPSX-KNJMJIDISA-N 2 1 314.473 3.022 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658230364 436406394 /nfs/dbraw/zinc/40/63/94/436406394.db2.gz YQORJFWVNJOCFA-WBVHZDCISA-N 2 1 317.477 3.018 20 0 DGADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658230364 436406397 /nfs/dbraw/zinc/40/63/97/436406397.db2.gz YQORJFWVNJOCFA-WBVHZDCISA-N 2 1 317.477 3.018 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000658231980 436407468 /nfs/dbraw/zinc/40/74/68/436407468.db2.gz XMBTZAJUIHEHLT-NVXWUHKLSA-N 2 1 317.477 3.018 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000658231980 436407470 /nfs/dbraw/zinc/40/74/70/436407470.db2.gz XMBTZAJUIHEHLT-NVXWUHKLSA-N 2 1 317.477 3.018 20 0 DGADMP CC[N@@H+](CCCN[C@H]1CCCn2nccc21)C1CCCCC1 ZINC000658043411 436358661 /nfs/dbraw/zinc/35/86/61/436358661.db2.gz OAOVYZKAIFBWTG-KRWDZBQOSA-N 2 1 304.482 3.352 20 0 DGADMP CC[N@H+](CCC[NH2+][C@H]1CCCn2nccc21)C1CCCCC1 ZINC000658043411 436358665 /nfs/dbraw/zinc/35/86/65/436358665.db2.gz OAOVYZKAIFBWTG-KRWDZBQOSA-N 2 1 304.482 3.352 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@H]1CCCn2nccc21)C1CCCCC1 ZINC000658043411 436358668 /nfs/dbraw/zinc/35/86/68/436358668.db2.gz OAOVYZKAIFBWTG-KRWDZBQOSA-N 2 1 304.482 3.352 20 0 DGADMP CCOC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320143 436430096 /nfs/dbraw/zinc/43/00/96/436430096.db2.gz OEWOTWLWSNYUST-HKUYNNGSSA-N 2 1 316.489 3.303 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663470636 436466971 /nfs/dbraw/zinc/46/69/71/436466971.db2.gz VUTIGUQTKROJGJ-RDJZCZTQSA-N 2 1 302.462 3.468 20 0 DGADMP CC(C)(C)[NH+]1CCC(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000658349013 436436900 /nfs/dbraw/zinc/43/69/00/436436900.db2.gz QSTYLBJKUJPPEW-IBGZPJMESA-N 2 1 315.505 3.113 20 0 DGADMP CC(C)(C)[NH+]1CCC(NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000658349013 436436901 /nfs/dbraw/zinc/43/69/01/436436901.db2.gz QSTYLBJKUJPPEW-IBGZPJMESA-N 2 1 315.505 3.113 20 0 DGADMP CCn1nccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000663471694 436467180 /nfs/dbraw/zinc/46/71/80/436467180.db2.gz VVROVFKWUGUVEE-LDLYASANSA-N 2 1 324.472 3.188 20 0 DGADMP CCn1nccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663471694 436467185 /nfs/dbraw/zinc/46/71/85/436467185.db2.gz VVROVFKWUGUVEE-LDLYASANSA-N 2 1 324.472 3.188 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n(-c2ccccc2)n1 ZINC000663343674 436442034 /nfs/dbraw/zinc/44/20/34/436442034.db2.gz AUQADLNTXWPVHS-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n(-c2ccccc2)n1 ZINC000663343674 436442038 /nfs/dbraw/zinc/44/20/38/436442038.db2.gz AUQADLNTXWPVHS-SFHVURJKSA-N 2 1 324.472 3.084 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347575 436442569 /nfs/dbraw/zinc/44/25/69/436442569.db2.gz PESLRVMBMYHJGC-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347575 436442572 /nfs/dbraw/zinc/44/25/72/436442572.db2.gz PESLRVMBMYHJGC-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343795 436442616 /nfs/dbraw/zinc/44/26/16/436442616.db2.gz FKVVVYZFEMSMDZ-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343795 436442620 /nfs/dbraw/zinc/44/26/20/436442620.db2.gz FKVVVYZFEMSMDZ-QGZVFWFLSA-N 2 1 302.462 3.215 20 0 DGADMP c1cnc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663346996 436442731 /nfs/dbraw/zinc/44/27/31/436442731.db2.gz DZIMZIMFRVBPSW-SFHVURJKSA-N 2 1 309.457 3.446 20 0 DGADMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347307 436442770 /nfs/dbraw/zinc/44/27/70/436442770.db2.gz JVJIPTGBDPVIEQ-KRWDZBQOSA-N 2 1 324.472 3.288 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663464672 436462956 /nfs/dbraw/zinc/46/29/56/436462956.db2.gz FWUSQMADKYUMSZ-WMZOPIPTSA-N 2 1 308.510 3.436 20 0 DGADMP Fc1cncc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466699 436463473 /nfs/dbraw/zinc/46/34/73/436463473.db2.gz XFXKDVFVFQHCAD-BEFAXECRSA-N 2 1 317.452 3.383 20 0 DGADMP Fc1cncc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663466699 436463478 /nfs/dbraw/zinc/46/34/78/436463478.db2.gz XFXKDVFVFQHCAD-BEFAXECRSA-N 2 1 317.452 3.383 20 0 DGADMP CC(C)[C@@H](O)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000658288113 436419365 /nfs/dbraw/zinc/41/93/65/436419365.db2.gz NBAIRQUZKDKLAC-RTBURBONSA-N 2 1 304.478 3.207 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc32)[C@H](C)C1 ZINC000658318629 436428550 /nfs/dbraw/zinc/42/85/50/436428550.db2.gz RAKJBIQCVXDZGO-HIFRSBDPSA-N 2 1 303.475 3.159 20 0 DGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000663497789 436470509 /nfs/dbraw/zinc/47/05/09/436470509.db2.gz GKKYXOACIZHMFF-GFCCVEGCSA-N 2 1 306.784 3.404 20 0 DGADMP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459436398 301844544 /nfs/dbraw/zinc/84/45/44/301844544.db2.gz XXRBIGNINWCXAA-WOJBJXKFSA-N 2 1 314.473 3.432 20 0 DGADMP COc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010076 436578101 /nfs/dbraw/zinc/57/81/01/436578101.db2.gz FONMDLVXLLIUHM-DZGCQCFKSA-N 2 1 308.853 3.265 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009910 436578451 /nfs/dbraw/zinc/57/84/51/436578451.db2.gz CYMSALTTZAWGBE-BBRMVZONSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+](C)C1CCC2(CC1)CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000663947074 436531949 /nfs/dbraw/zinc/53/19/49/436531949.db2.gz ZRXFAURMDROWQO-UHFFFAOYSA-N 2 1 313.449 3.049 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C)o1 ZINC000659838185 436538344 /nfs/dbraw/zinc/53/83/44/436538344.db2.gz KSVWMCYMZXOTEY-UHFFFAOYSA-N 2 1 305.466 3.379 20 0 DGADMP C[N@H+](Cc1cccc(F)c1OC(F)F)CC1CC[NH+](C)CC1 ZINC000659921320 436559070 /nfs/dbraw/zinc/55/90/70/436559070.db2.gz UGXJJIIRAMTYKH-UHFFFAOYSA-N 2 1 316.367 3.201 20 0 DGADMP Cc1cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929340 436560810 /nfs/dbraw/zinc/56/08/10/436560810.db2.gz RETDGDKSNNVVJC-SJLPKXTDSA-N 2 1 316.493 3.180 20 0 DGADMP c1cn2c(n1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000655685442 436573979 /nfs/dbraw/zinc/57/39/79/436573979.db2.gz DGCVEGLSDXEUNW-GOSISDBHSA-N 2 1 310.445 3.104 20 0 DGADMP COc1cccc(SCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659984750 436575149 /nfs/dbraw/zinc/57/51/49/436575149.db2.gz SVAZGJNVDWRHIR-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659984750 436575151 /nfs/dbraw/zinc/57/51/51/436575151.db2.gz SVAZGJNVDWRHIR-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000659984750 436575155 /nfs/dbraw/zinc/57/51/55/436575155.db2.gz SVAZGJNVDWRHIR-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP COc1cccc(SCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000659984750 436575156 /nfs/dbraw/zinc/57/51/56/436575156.db2.gz SVAZGJNVDWRHIR-CABCVRRESA-N 2 1 308.491 3.202 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065574 436585028 /nfs/dbraw/zinc/58/50/28/436585028.db2.gz ZDZOWWJFSPRGAM-UJMXGEILSA-N 2 1 321.553 3.302 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065574 436585032 /nfs/dbraw/zinc/58/50/32/436585032.db2.gz ZDZOWWJFSPRGAM-UJMXGEILSA-N 2 1 321.553 3.302 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660065574 436585034 /nfs/dbraw/zinc/58/50/34/436585034.db2.gz ZDZOWWJFSPRGAM-UJMXGEILSA-N 2 1 321.553 3.302 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSc2cccc(OC)c2)[C@@H](C)C1 ZINC000660081872 436586074 /nfs/dbraw/zinc/58/60/74/436586074.db2.gz JUSNCRFPWHAWGV-YJBOKZPZSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSc2cccc(OC)c2)[C@@H](C)C1 ZINC000660081872 436586077 /nfs/dbraw/zinc/58/60/77/436586077.db2.gz JUSNCRFPWHAWGV-YJBOKZPZSA-N 2 1 322.518 3.449 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSc2cccc(OC)c2)[C@@H](C)C1 ZINC000660081872 436586082 /nfs/dbraw/zinc/58/60/82/436586082.db2.gz JUSNCRFPWHAWGV-YJBOKZPZSA-N 2 1 322.518 3.449 20 0 DGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000664363440 436590535 /nfs/dbraw/zinc/59/05/35/436590535.db2.gz IWWXUQQDGXGFDB-QGZVFWFLSA-N 2 1 320.440 3.316 20 0 DGADMP CC(C)c1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000660115485 436590568 /nfs/dbraw/zinc/59/05/68/436590568.db2.gz AJEILDYXDDVXBP-VAMGGRTRSA-N 2 1 316.489 3.494 20 0 DGADMP COc1cccc(SCC[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000660127880 436592984 /nfs/dbraw/zinc/59/29/84/436592984.db2.gz FVTNEDGQJHYAAI-CQSZACIVSA-N 2 1 317.458 3.010 20 0 DGADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ncn1 ZINC000664562012 436618032 /nfs/dbraw/zinc/61/80/32/436618032.db2.gz FKBHJQMQDCJZOU-GOSISDBHSA-N 2 1 322.456 3.499 20 0 DGADMP FC(F)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378799 303123965 /nfs/dbraw/zinc/12/39/65/303123965.db2.gz BMGPPIMFRGRDRB-DZGCQCFKSA-N 2 1 310.388 3.252 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378799 303123968 /nfs/dbraw/zinc/12/39/68/303123968.db2.gz BMGPPIMFRGRDRB-DZGCQCFKSA-N 2 1 310.388 3.252 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000422901054 303371039 /nfs/dbraw/zinc/37/10/39/303371039.db2.gz BEWMPXZWZPDGBZ-KVZIAJEVSA-N 3 1 307.526 3.138 20 0 DGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCN2CC2CCCCC2)CC1 ZINC000422901054 303371040 /nfs/dbraw/zinc/37/10/40/303371040.db2.gz BEWMPXZWZPDGBZ-KVZIAJEVSA-N 2 1 307.526 3.138 20 0 DGADMP CC(C)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000132997788 312656783 /nfs/dbraw/zinc/65/67/83/312656783.db2.gz VLROPOLUMYPVEM-HXUWFJFHSA-N 2 1 315.505 3.365 20 0 DGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(C)(C)C)cc1 ZINC000530354991 313360558 /nfs/dbraw/zinc/36/05/58/313360558.db2.gz QDMNMOAANUNAQZ-CQSZACIVSA-N 2 1 301.434 3.491 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000530355040 313360564 /nfs/dbraw/zinc/36/05/64/313360564.db2.gz YCEWAHHZOCSNIT-OAHLLOKOSA-N 2 1 305.809 3.120 20 0 DGADMP CCCC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932327 313502589 /nfs/dbraw/zinc/50/25/89/313502589.db2.gz KBWJBQZRQXNTGO-JKSUJKDBSA-N 2 1 309.523 3.205 20 0 DGADMP C([NH2+][C@@H]1CCC[C@@H]1C1CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000538116914 313847755 /nfs/dbraw/zinc/84/77/55/313847755.db2.gz QZSOHSPDJJMRPO-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000543407607 314131983 /nfs/dbraw/zinc/13/19/83/314131983.db2.gz VWKQVYREGZDBRH-HOTGVXAUSA-N 2 1 321.534 3.205 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000543449188 314135498 /nfs/dbraw/zinc/13/54/98/314135498.db2.gz FTPRXMJMIHZIPS-HXUWFJFHSA-N 2 1 318.505 3.032 20 0 DGADMP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC(C)CC1 ZINC000543944624 314165394 /nfs/dbraw/zinc/16/53/94/314165394.db2.gz OOPOCLUOMRITFA-YFYIHBKUSA-N 2 1 318.505 3.375 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000562516633 315026097 /nfs/dbraw/zinc/02/60/97/315026097.db2.gz CMMKVTXHMPYBTG-JFRXWTBNSA-N 2 1 302.462 3.054 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000563069999 315076088 /nfs/dbraw/zinc/07/60/88/315076088.db2.gz LYXWXQCTRMNGMC-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccco2)cc1 ZINC000563424136 315113950 /nfs/dbraw/zinc/11/39/50/315113950.db2.gz JTFQBVNMUMJSDV-VKJFTORMSA-N 2 1 300.402 3.237 20 0 DGADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499647 315179210 /nfs/dbraw/zinc/17/92/10/315179210.db2.gz SMJYTMGRBWSQKB-GGPKGHCWSA-N 2 1 321.553 3.349 20 0 DGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499647 315179213 /nfs/dbraw/zinc/17/92/13/315179213.db2.gz SMJYTMGRBWSQKB-GGPKGHCWSA-N 3 1 321.553 3.349 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000564499647 315179215 /nfs/dbraw/zinc/17/92/15/315179215.db2.gz SMJYTMGRBWSQKB-GGPKGHCWSA-N 3 1 321.553 3.349 20 0 DGADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000564690520 315192048 /nfs/dbraw/zinc/19/20/48/315192048.db2.gz VWRGIUXWFBDIIG-GVDBMIGSSA-N 2 1 301.478 3.130 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000564735147 315196128 /nfs/dbraw/zinc/19/61/28/315196128.db2.gz OQPOIGAVHNJSMN-BZSNNMDCSA-N 2 1 302.462 3.306 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000564735154 315196180 /nfs/dbraw/zinc/19/61/80/315196180.db2.gz OQPOIGAVHNJSMN-OKZBNKHCSA-N 2 1 302.462 3.306 20 0 DGADMP Cc1ccc([C@@H]([NH2+]CCCc2c[nH+]cn2C)c2ccccn2)cc1 ZINC000565165877 315236851 /nfs/dbraw/zinc/23/68/51/315236851.db2.gz SKNHTWSGBOEVOL-HXUWFJFHSA-N 2 1 320.440 3.435 20 0 DGADMP CCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000565719497 315282910 /nfs/dbraw/zinc/28/29/10/315282910.db2.gz KABOPLSOBYHXJE-OAQYLSRUSA-N 2 1 324.468 3.105 20 0 DGADMP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000565902650 315296365 /nfs/dbraw/zinc/29/63/65/315296365.db2.gz ADKAFDWZQYSIJL-FZMZJTMJSA-N 2 1 311.267 3.330 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983417 315301785 /nfs/dbraw/zinc/30/17/85/315301785.db2.gz IYRYSGPLQHKTHW-PBHICJAKSA-N 2 1 310.844 3.438 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983417 315301789 /nfs/dbraw/zinc/30/17/89/315301789.db2.gz IYRYSGPLQHKTHW-PBHICJAKSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983417 315301792 /nfs/dbraw/zinc/30/17/92/315301792.db2.gz IYRYSGPLQHKTHW-PBHICJAKSA-N 2 1 310.844 3.438 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000565983417 315301795 /nfs/dbraw/zinc/30/17/95/315301795.db2.gz IYRYSGPLQHKTHW-PBHICJAKSA-N 2 1 310.844 3.438 20 0 DGADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000565998001 315303551 /nfs/dbraw/zinc/30/35/51/315303551.db2.gz VQQVJMMOJMASBO-IXDGSTSKSA-N 2 1 313.445 3.305 20 0 DGADMP COc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C(C)C)c(F)c1 ZINC000566084879 315311240 /nfs/dbraw/zinc/31/12/40/315311240.db2.gz UAWNVVRLFPLJGA-KSSFIOAISA-N 2 1 308.441 3.463 20 0 DGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000566084879 315311242 /nfs/dbraw/zinc/31/12/42/315311242.db2.gz UAWNVVRLFPLJGA-KSSFIOAISA-N 2 1 308.441 3.463 20 0 DGADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000566091178 315311680 /nfs/dbraw/zinc/31/16/80/315311680.db2.gz WHGXXHRSFXMYIS-MJGOQNOKSA-N 2 1 320.440 3.188 20 0 DGADMP [NH3+]C1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CCC1 ZINC000566092577 315311822 /nfs/dbraw/zinc/31/18/22/315311822.db2.gz YTAQSWVMOJPPKI-KRWDZBQOSA-N 2 1 315.848 3.490 20 0 DGADMP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000566221519 315323411 /nfs/dbraw/zinc/32/34/11/315323411.db2.gz SNAAEVGQDLBQBY-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000566221519 315323414 /nfs/dbraw/zinc/32/34/14/315323414.db2.gz SNAAEVGQDLBQBY-MSOLQXFVSA-N 2 1 302.462 3.228 20 0 DGADMP C[C@H]([N@H+](Cc1ccccc1)C[C@H](O)CN(C)C1CC1)C(C)(C)C ZINC000566648002 315364500 /nfs/dbraw/zinc/36/45/00/315364500.db2.gz ZBCYODZDIXVTNN-QFBILLFUSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648002 315364503 /nfs/dbraw/zinc/36/45/03/315364503.db2.gz ZBCYODZDIXVTNN-QFBILLFUSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000566648002 315364505 /nfs/dbraw/zinc/36/45/05/315364505.db2.gz ZBCYODZDIXVTNN-QFBILLFUSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000566648002 315364508 /nfs/dbraw/zinc/36/45/08/315364508.db2.gz ZBCYODZDIXVTNN-QFBILLFUSA-N 2 1 318.505 3.378 20 0 DGADMP C[C@H]([NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000566648002 315364511 /nfs/dbraw/zinc/36/45/11/315364511.db2.gz ZBCYODZDIXVTNN-QFBILLFUSA-N 2 1 318.505 3.378 20 0 DGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OC)c(OC)c1 ZINC000567624732 315436750 /nfs/dbraw/zinc/43/67/50/315436750.db2.gz YWFVHKPJPAXBMV-INIZCTEOSA-N 2 1 317.433 3.111 20 0 DGADMP CCCOc1ccc(Br)cc1C[N@H+](C)CCC[NH3+] ZINC000574810632 316003018 /nfs/dbraw/zinc/00/30/18/316003018.db2.gz KXFVBLDYEVDBHB-UHFFFAOYSA-N 2 1 315.255 3.019 20 0 DGADMP CCCOc1ccc(Br)cc1C[N@@H+](C)CCC[NH3+] ZINC000574810632 316003021 /nfs/dbraw/zinc/00/30/21/316003021.db2.gz KXFVBLDYEVDBHB-UHFFFAOYSA-N 2 1 315.255 3.019 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(C)C ZINC000574878166 316010890 /nfs/dbraw/zinc/01/08/90/316010890.db2.gz PKLUNJOSSLSVDQ-IBGZPJMESA-N 2 1 318.461 3.058 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(C)C ZINC000574878166 316010894 /nfs/dbraw/zinc/01/08/94/316010894.db2.gz PKLUNJOSSLSVDQ-IBGZPJMESA-N 2 1 318.461 3.058 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1sccc1Br ZINC000575114920 316034569 /nfs/dbraw/zinc/03/45/69/316034569.db2.gz KBCSQIAQASIROF-ZJUUUORDSA-N 2 1 303.269 3.161 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1sccc1Br ZINC000575114918 316034907 /nfs/dbraw/zinc/03/49/07/316034907.db2.gz KBCSQIAQASIROF-UWVGGRQHSA-N 2 1 303.269 3.161 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000575326456 316048086 /nfs/dbraw/zinc/04/80/86/316048086.db2.gz WWYRWWZTYPGIRY-MRXNPFEDSA-N 2 1 315.461 3.172 20 0 DGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000575326456 316048089 /nfs/dbraw/zinc/04/80/89/316048089.db2.gz WWYRWWZTYPGIRY-MRXNPFEDSA-N 2 1 315.461 3.172 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000576636229 316150905 /nfs/dbraw/zinc/15/09/05/316150905.db2.gz AKTSPWABALSZPK-KGLIPLIRSA-N 2 1 300.377 3.127 20 0 DGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000576636229 316150907 /nfs/dbraw/zinc/15/09/07/316150907.db2.gz AKTSPWABALSZPK-KGLIPLIRSA-N 2 1 300.377 3.127 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)[C@@H](C)C1 ZINC000577917572 316284072 /nfs/dbraw/zinc/28/40/72/316284072.db2.gz JMUMRPGHTVAIAB-LPHOPBHVSA-N 2 1 316.489 3.437 20 0 DGADMP Cc1cc(C)c([C@@H](C)[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000578132719 316306014 /nfs/dbraw/zinc/30/60/14/316306014.db2.gz UIGZAKWZIGUVQU-MSOLQXFVSA-N 2 1 316.489 3.360 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@@H+]1C ZINC000180699604 323236816 /nfs/dbraw/zinc/23/68/16/323236816.db2.gz FZLXPXGQSIIZNX-JKSUJKDBSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2C(C)(C)C)CC[N@H+]1C ZINC000180699604 323236819 /nfs/dbraw/zinc/23/68/19/323236819.db2.gz FZLXPXGQSIIZNX-JKSUJKDBSA-N 2 1 304.478 3.435 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000182494779 323301897 /nfs/dbraw/zinc/30/18/97/323301897.db2.gz MICOZSFFSMVEFC-OAHLLOKOSA-N 2 1 300.450 3.113 20 0 DGADMP Cn1ccnc1[C@H](NCCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000183239452 323330962 /nfs/dbraw/zinc/33/09/62/323330962.db2.gz MBAVCZWJTHIHQO-QGZVFWFLSA-N 2 1 304.482 3.115 20 0 DGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000184496570 323367464 /nfs/dbraw/zinc/36/74/64/323367464.db2.gz PODSXHFLAYCTGX-LSDHHAIUSA-N 2 1 304.434 3.330 20 0 DGADMP C[C@@H]([NH2+]CCOc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675230 323392800 /nfs/dbraw/zinc/39/28/00/323392800.db2.gz BWGANGVDTIXLCC-HZPDHXFCSA-N 2 1 320.452 3.447 20 0 DGADMP C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764277 323395167 /nfs/dbraw/zinc/39/51/67/323395167.db2.gz HZENYZAHEZWNHO-QZTJIDSGSA-N 2 1 315.505 3.365 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOC(F)(F)F)cc1 ZINC000189227241 323433294 /nfs/dbraw/zinc/43/32/94/323433294.db2.gz FAXQXOUERCPYLB-LLVKDONJSA-N 2 1 313.323 3.368 20 0 DGADMP CCC(C)(C)[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000578716634 323772831 /nfs/dbraw/zinc/77/28/31/323772831.db2.gz QGEJKRCCYWQRII-CQSZACIVSA-N 2 1 304.482 3.477 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[NH+](C)C ZINC000580617904 324018548 /nfs/dbraw/zinc/01/85/48/324018548.db2.gz WGANJWYZXWJNCB-AOIWGVFYSA-N 2 1 320.525 3.402 20 0 DGADMP Clc1cncc(OC2CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000581202441 324088194 /nfs/dbraw/zinc/08/81/94/324088194.db2.gz XBNIHGPPFKIEGL-UHFFFAOYSA-N 2 1 323.868 3.064 20 0 DGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581489543 324122675 /nfs/dbraw/zinc/12/26/75/324122675.db2.gz JWUKQJWZANVMCD-ROUUACIJSA-N 2 1 310.441 3.150 20 0 DGADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000581518137 324125228 /nfs/dbraw/zinc/12/52/28/324125228.db2.gz MXYUBFXIZDFJII-GOSISDBHSA-N 2 1 317.521 3.361 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000582128758 324193033 /nfs/dbraw/zinc/19/30/33/324193033.db2.gz HGLYFUXSAFLTQU-RXABAKJHSA-N 2 1 316.489 3.471 20 0 DGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1(C)C ZINC000582128758 324193038 /nfs/dbraw/zinc/19/30/38/324193038.db2.gz HGLYFUXSAFLTQU-RXABAKJHSA-N 2 1 316.489 3.471 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000583075518 324310328 /nfs/dbraw/zinc/31/03/28/324310328.db2.gz MOBRMUXTPOHZPV-RBSFLKMASA-N 2 1 322.415 3.196 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468171 324357407 /nfs/dbraw/zinc/35/74/07/324357407.db2.gz JZGKRRHRAZZGTA-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468171 324357410 /nfs/dbraw/zinc/35/74/10/324357410.db2.gz JZGKRRHRAZZGTA-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468171 324357413 /nfs/dbraw/zinc/35/74/13/324357413.db2.gz JZGKRRHRAZZGTA-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000583468171 324357416 /nfs/dbraw/zinc/35/74/16/324357416.db2.gz JZGKRRHRAZZGTA-GDBMZVCRSA-N 2 1 305.491 3.327 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000584067781 331660647 /nfs/dbraw/zinc/66/06/47/331660647.db2.gz HGKUIPJTUVQAPC-QGZVFWFLSA-N 2 1 303.837 3.227 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000584305906 332235349 /nfs/dbraw/zinc/23/53/49/332235349.db2.gz JTBVBVIMUUCVAN-INIZCTEOSA-N 2 1 312.461 3.205 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000269259767 501007329 /nfs/dbraw/zinc/00/73/29/501007329.db2.gz BNSXVHXZVFPWGP-SFHVURJKSA-N 2 1 311.429 3.184 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000442758331 533844217 /nfs/dbraw/zinc/84/42/17/533844217.db2.gz AGFKQYJDZPRHQB-HZPDHXFCSA-N 2 1 304.478 3.422 20 0 DGADMP COc1cc(C[NH2+]C[C@H]([NH3+])CC(C)C)ccc1OC1CCCC1 ZINC000415087852 533883423 /nfs/dbraw/zinc/88/34/23/533883423.db2.gz VIGQEMWKIQDUNY-MRXNPFEDSA-N 2 1 320.477 3.480 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2F)CCCO1 ZINC000432350989 533939352 /nfs/dbraw/zinc/93/93/52/533939352.db2.gz HMLGQNUNIAPUJN-IJJSQOHJSA-N 2 1 324.415 3.069 20 0 DGADMP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nccs1 ZINC000153341749 533977819 /nfs/dbraw/zinc/97/78/19/533977819.db2.gz GKXIQHUKGLEXFQ-KBPBESRZSA-N 2 1 319.474 3.495 20 0 DGADMP C[C@H](CCc1ccsc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414767 534000426 /nfs/dbraw/zinc/00/04/26/534000426.db2.gz LVKYMERTIZXQBR-HZPDHXFCSA-N 2 1 310.507 3.160 20 0 DGADMP C[C@H](CCc1ccsc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414767 534000430 /nfs/dbraw/zinc/00/04/30/534000430.db2.gz LVKYMERTIZXQBR-HZPDHXFCSA-N 2 1 310.507 3.160 20 0 DGADMP C[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CC1CCCCC1 ZINC000441369096 534057131 /nfs/dbraw/zinc/05/71/31/534057131.db2.gz CNMWGJFIFPXTMN-QGZVFWFLSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2)n1 ZINC000430556135 534095591 /nfs/dbraw/zinc/09/55/91/534095591.db2.gz UDNDQWMCTQLITD-AUUYWEPGSA-N 2 1 312.461 3.048 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2)n1 ZINC000430556135 534095599 /nfs/dbraw/zinc/09/55/99/534095599.db2.gz UDNDQWMCTQLITD-AUUYWEPGSA-N 2 1 312.461 3.048 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccccc1OC(F)(F)F)C[NH+](C)C ZINC000425930532 534125441 /nfs/dbraw/zinc/12/54/41/534125441.db2.gz IMPBUXSKMMEFLQ-VXGBXAGGSA-N 2 1 304.356 3.434 20 0 DGADMP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415043962 534187458 /nfs/dbraw/zinc/18/74/58/534187458.db2.gz RTDJOMCQAFWVDZ-MRXNPFEDSA-N 2 1 316.470 3.192 20 0 DGADMP FC(F)(F)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691607 534382418 /nfs/dbraw/zinc/38/24/18/534382418.db2.gz SYJDUMUGULCQSD-UHFFFAOYSA-N 2 1 301.356 3.351 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000163291572 521717858 /nfs/dbraw/zinc/71/78/58/521717858.db2.gz NUYCUIVVNFJEID-SJLPKXTDSA-N 2 1 302.462 3.449 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000163324253 522479189 /nfs/dbraw/zinc/47/91/89/522479189.db2.gz JVYWTZUMYZUQCB-DZGCQCFKSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000163324253 522479199 /nfs/dbraw/zinc/47/91/99/522479199.db2.gz JVYWTZUMYZUQCB-DZGCQCFKSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH+](C)CC[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000163324253 522479207 /nfs/dbraw/zinc/47/92/07/522479207.db2.gz JVYWTZUMYZUQCB-DZGCQCFKSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH+](C)CC[C@@H]1CCC[N@H+]1C)CCC2 ZINC000163324253 522479216 /nfs/dbraw/zinc/47/92/16/522479216.db2.gz JVYWTZUMYZUQCB-DZGCQCFKSA-N 2 1 307.507 3.499 20 0 DGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccs1 ZINC000154482411 522581119 /nfs/dbraw/zinc/58/11/19/522581119.db2.gz WEJMKVXKASLGIQ-INIZCTEOSA-N 2 1 309.523 3.207 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764728 534643186 /nfs/dbraw/zinc/64/31/86/534643186.db2.gz DFWZVJHRGMCUNF-OWCLPIDISA-N 2 1 317.477 3.115 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764728 534643190 /nfs/dbraw/zinc/64/31/90/534643190.db2.gz DFWZVJHRGMCUNF-OWCLPIDISA-N 2 1 317.477 3.115 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000156220700 522839647 /nfs/dbraw/zinc/83/96/47/522839647.db2.gz ATMXWIKKTOMXHU-BHIYHBOVSA-N 2 1 304.478 3.302 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415937077 527986745 /nfs/dbraw/zinc/98/67/45/527986745.db2.gz VKAUAXIEMGSECR-OAHLLOKOSA-N 2 1 320.481 3.038 20 0 DGADMP CC1CCN([C@@H](C[NH2+]C[C@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000415085338 528260599 /nfs/dbraw/zinc/26/05/99/528260599.db2.gz PXUJKQOYDIXIKQ-FUHWJXTLSA-N 2 1 321.534 3.110 20 0 DGADMP CCCOc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435386926 528625160 /nfs/dbraw/zinc/62/51/60/528625160.db2.gz WGEFABOEOMDHBE-QGZVFWFLSA-N 2 1 320.477 3.448 20 0 DGADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415080349 528646890 /nfs/dbraw/zinc/64/68/90/528646890.db2.gz JKOXRSHJQLUOIH-MSOLQXFVSA-N 2 1 304.478 3.258 20 0 DGADMP CCCCOc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415061840 528676079 /nfs/dbraw/zinc/67/60/79/528676079.db2.gz YUXSYBUZYSDGNU-KRWDZBQOSA-N 2 1 308.466 3.337 20 0 DGADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374613 528724635 /nfs/dbraw/zinc/72/46/35/528724635.db2.gz BCQWCYGJAYBUKQ-NVXWUHKLSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374613 528724638 /nfs/dbraw/zinc/72/46/38/528724638.db2.gz BCQWCYGJAYBUKQ-NVXWUHKLSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428374613 528724640 /nfs/dbraw/zinc/72/46/40/528724640.db2.gz BCQWCYGJAYBUKQ-NVXWUHKLSA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428374613 528724643 /nfs/dbraw/zinc/72/46/43/528724643.db2.gz BCQWCYGJAYBUKQ-NVXWUHKLSA-N 2 1 317.477 3.384 20 0 DGADMP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423300218 528956796 /nfs/dbraw/zinc/95/67/96/528956796.db2.gz RFLUTDZOZSAZHG-WTGUMLROSA-N 2 1 315.505 3.289 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1 ZINC000432416806 529161543 /nfs/dbraw/zinc/16/15/43/529161543.db2.gz SMAVDXRSEOANJX-MAUKXSAKSA-N 2 1 308.441 3.367 20 0 DGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1 ZINC000432416806 529161545 /nfs/dbraw/zinc/16/15/45/529161545.db2.gz SMAVDXRSEOANJX-MAUKXSAKSA-N 2 1 308.441 3.367 20 0 DGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459432663 535580502 /nfs/dbraw/zinc/58/05/02/535580502.db2.gz SKVFZLCGVVOXIJ-ZWKOTPCHSA-N 2 1 316.493 3.344 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000449233540 535920204 /nfs/dbraw/zinc/92/02/04/535920204.db2.gz MALCBIDWAMYUMT-PMACEKPBSA-N 2 1 316.489 3.312 20 0 DGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000449071625 536799584 /nfs/dbraw/zinc/79/95/84/536799584.db2.gz BSDZVIRGGXDFNC-OAHLLOKOSA-N 2 1 310.441 3.422 20 0 DGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000452022763 536905547 /nfs/dbraw/zinc/90/55/47/536905547.db2.gz VSDAMMRSIUZEIO-BZSNNMDCSA-N 2 1 302.462 3.357 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH+](C)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000452022763 536905551 /nfs/dbraw/zinc/90/55/51/536905551.db2.gz VSDAMMRSIUZEIO-BZSNNMDCSA-N 2 1 302.462 3.357 20 0 DGADMP COc1cccc([C@H]2C[C@H]([NH+](C)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000452022763 536905553 /nfs/dbraw/zinc/90/55/53/536905553.db2.gz VSDAMMRSIUZEIO-BZSNNMDCSA-N 2 1 302.462 3.357 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000044532527 545680125 /nfs/dbraw/zinc/68/01/25/545680125.db2.gz JMJJSWUNXFPDPL-MLGOLLRUSA-N 2 1 323.278 3.368 20 0 DGADMP CC(C)(CO)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090656804 545830966 /nfs/dbraw/zinc/83/09/66/545830966.db2.gz PETYISDXKFJZSD-GUDVDZBRSA-N 2 1 316.489 3.005 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CCO)C1 ZINC000093106744 545853625 /nfs/dbraw/zinc/85/36/25/545853625.db2.gz URHGYXDFKXMPIA-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000093106744 545853627 /nfs/dbraw/zinc/85/36/27/545853627.db2.gz URHGYXDFKXMPIA-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000093106744 545853628 /nfs/dbraw/zinc/85/36/28/545853628.db2.gz URHGYXDFKXMPIA-IBGZPJMESA-N 2 1 318.505 3.239 20 0 DGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCSC1 ZINC000130635852 545951122 /nfs/dbraw/zinc/95/11/22/545951122.db2.gz ZQVLCCLUQQIQRC-QGZVFWFLSA-N 2 1 320.502 3.099 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000132384939 545962991 /nfs/dbraw/zinc/96/29/91/545962991.db2.gz PSMOFEZHVSLSQR-PKOBYXMFSA-N 2 1 309.542 3.207 20 0 DGADMP COc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000161649364 546070954 /nfs/dbraw/zinc/07/09/54/546070954.db2.gz ADOOUUWXLMCXEK-OTWHNJEPSA-N 2 1 316.489 3.479 20 0 DGADMP c1csc(-c2nc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)co2)c1 ZINC000166323759 546093830 /nfs/dbraw/zinc/09/38/30/546093830.db2.gz CUZATGFSKZGHNL-TZMCWYRMSA-N 2 1 303.431 3.120 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166565062 546096551 /nfs/dbraw/zinc/09/65/51/546096551.db2.gz IENBLYMYHOBIFG-KZNAEPCWSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166565062 546096557 /nfs/dbraw/zinc/09/65/57/546096557.db2.gz IENBLYMYHOBIFG-KZNAEPCWSA-N 2 1 307.526 3.103 20 0 DGADMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166565062 546096560 /nfs/dbraw/zinc/09/65/60/546096560.db2.gz IENBLYMYHOBIFG-KZNAEPCWSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000177815702 546124049 /nfs/dbraw/zinc/12/40/49/546124049.db2.gz WNBSMAMZGDXXSS-RDJZCZTQSA-N 2 1 304.478 3.435 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000177815702 546124051 /nfs/dbraw/zinc/12/40/51/546124051.db2.gz WNBSMAMZGDXXSS-RDJZCZTQSA-N 2 1 304.478 3.435 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180337317 546144887 /nfs/dbraw/zinc/14/48/87/546144887.db2.gz UOEPNZZMWCECRK-DZGCQCFKSA-N 2 1 318.490 3.342 20 0 DGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180337317 546144889 /nfs/dbraw/zinc/14/48/89/546144889.db2.gz UOEPNZZMWCECRK-DZGCQCFKSA-N 2 1 318.490 3.342 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250598729 546329045 /nfs/dbraw/zinc/32/90/45/546329045.db2.gz JMJJSWUNXFPDPL-LRDDRELGSA-N 2 1 323.278 3.368 20 0 DGADMP CC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251864722 546331128 /nfs/dbraw/zinc/33/11/28/546331128.db2.gz TXLPLHMYFAPLDB-BXUZGUMPSA-N 2 1 317.260 3.431 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251864722 546331132 /nfs/dbraw/zinc/33/11/32/546331132.db2.gz TXLPLHMYFAPLDB-BXUZGUMPSA-N 2 1 317.260 3.431 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000281378071 546387211 /nfs/dbraw/zinc/38/72/11/546387211.db2.gz XAHKZPUCBCAOGC-CVEARBPZSA-N 2 1 323.444 3.364 20 0 DGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339066178 546531951 /nfs/dbraw/zinc/53/19/51/546531951.db2.gz ILFQJSMULJZQRP-OALUTQOASA-N 2 1 324.472 3.206 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339077169 546532645 /nfs/dbraw/zinc/53/26/45/546532645.db2.gz ZKYFKKCOEKQZCJ-MSOLQXFVSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339077169 546532651 /nfs/dbraw/zinc/53/26/51/546532651.db2.gz ZKYFKKCOEKQZCJ-MSOLQXFVSA-N 2 1 302.462 3.438 20 0 DGADMP c1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069422 546532939 /nfs/dbraw/zinc/53/29/39/546532939.db2.gz VQAIOGIKNHAAPY-FYQPLNBISA-N 2 1 314.473 3.371 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339071525 546533812 /nfs/dbraw/zinc/53/38/12/546533812.db2.gz RKEREGPBPNTJIO-PMACEKPBSA-N 3 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339071525 546533816 /nfs/dbraw/zinc/53/38/16/546533816.db2.gz RKEREGPBPNTJIO-PMACEKPBSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339071525 546533818 /nfs/dbraw/zinc/53/38/18/546533818.db2.gz RKEREGPBPNTJIO-PMACEKPBSA-N 2 1 315.505 3.245 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000342764684 546559248 /nfs/dbraw/zinc/55/92/48/546559248.db2.gz JVUIUXVDPMXRRO-INIZCTEOSA-N 2 1 300.450 3.255 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000353935248 546668342 /nfs/dbraw/zinc/66/83/42/546668342.db2.gz VNEYQUFXKYIGEL-WLYUNCDWSA-N 2 1 324.431 3.302 20 0 DGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381946789 546741196 /nfs/dbraw/zinc/74/11/96/546741196.db2.gz ZKBLXPQFDSVQKN-FRYIKTPZSA-N 2 1 316.489 3.444 20 0 DGADMP Oc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000383757132 546741954 /nfs/dbraw/zinc/74/19/54/546741954.db2.gz DCNKOILCZFMLLY-SESVDKBCSA-N 2 1 322.452 3.392 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390774489 546755153 /nfs/dbraw/zinc/75/51/53/546755153.db2.gz LZNGHPACEFZQDA-HSALFYBXSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453290872 546858688 /nfs/dbraw/zinc/85/86/88/546858688.db2.gz NLLXACCYJULGPU-KANFNMMFSA-N 2 1 304.478 3.473 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453290872 546858691 /nfs/dbraw/zinc/85/86/91/546858691.db2.gz NLLXACCYJULGPU-KANFNMMFSA-N 2 1 304.478 3.473 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)C[C@H]1c1ccccc1 ZINC000453304073 546858782 /nfs/dbraw/zinc/85/87/82/546858782.db2.gz FQBDNGUCGOFVCV-ROUUACIJSA-N 2 1 320.452 3.178 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)C[C@H]1c1ccccc1 ZINC000453304073 546858786 /nfs/dbraw/zinc/85/87/86/546858786.db2.gz FQBDNGUCGOFVCV-ROUUACIJSA-N 2 1 320.452 3.178 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453290874 546858858 /nfs/dbraw/zinc/85/88/58/546858858.db2.gz NLLXACCYJULGPU-WNHJNPCNSA-N 2 1 304.478 3.473 20 0 DGADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453290874 546858861 /nfs/dbraw/zinc/85/88/61/546858861.db2.gz NLLXACCYJULGPU-WNHJNPCNSA-N 2 1 304.478 3.473 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378994 546860464 /nfs/dbraw/zinc/86/04/64/546860464.db2.gz ZWZOSNQYJZWRLE-DZJYIKFMSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378994 546860467 /nfs/dbraw/zinc/86/04/67/546860467.db2.gz ZWZOSNQYJZWRLE-DZJYIKFMSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378994 546860471 /nfs/dbraw/zinc/86/04/71/546860471.db2.gz ZWZOSNQYJZWRLE-DZJYIKFMSA-N 2 1 313.489 3.037 20 0 DGADMP CN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1c1ccccc1 ZINC000453420107 546861208 /nfs/dbraw/zinc/86/12/08/546861208.db2.gz ZDDMMTZQQPXXEN-QUCCMNQESA-N 2 1 315.505 3.286 20 0 DGADMP C[N@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420107 546861213 /nfs/dbraw/zinc/86/12/13/546861213.db2.gz ZDDMMTZQQPXXEN-QUCCMNQESA-N 3 1 315.505 3.286 20 0 DGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420107 546861216 /nfs/dbraw/zinc/86/12/16/546861216.db2.gz ZDDMMTZQQPXXEN-QUCCMNQESA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420107 546861218 /nfs/dbraw/zinc/86/12/18/546861218.db2.gz ZDDMMTZQQPXXEN-QUCCMNQESA-N 3 1 315.505 3.286 20 0 DGADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453420107 546861223 /nfs/dbraw/zinc/86/12/23/546861223.db2.gz ZDDMMTZQQPXXEN-QUCCMNQESA-N 3 1 315.505 3.286 20 0 DGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC2 ZINC000453408188 546861255 /nfs/dbraw/zinc/86/12/55/546861255.db2.gz SKXWESTWRRFKER-KRWDZBQOSA-N 2 1 318.461 3.155 20 0 DGADMP Cc1cc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603888 546949971 /nfs/dbraw/zinc/94/99/71/546949971.db2.gz NKVAPGBHGDYOPA-QFBILLFUSA-N 2 1 324.472 3.228 20 0 DGADMP Cc1cc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000511603888 546949976 /nfs/dbraw/zinc/94/99/76/546949976.db2.gz NKVAPGBHGDYOPA-QFBILLFUSA-N 2 1 324.472 3.228 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)F)cc2)CCCO1 ZINC000527237507 546969180 /nfs/dbraw/zinc/96/91/80/546969180.db2.gz IMMRELHZPIPMSG-AWEZNQCLSA-N 2 1 312.404 3.215 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550797103 546996460 /nfs/dbraw/zinc/99/64/60/546996460.db2.gz LKUUJWGTUHGFSM-HCXYKTFWSA-N 2 1 302.462 3.369 20 0 DGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550797103 546996462 /nfs/dbraw/zinc/99/64/62/546996462.db2.gz LKUUJWGTUHGFSM-HCXYKTFWSA-N 2 1 302.462 3.369 20 0 DGADMP CC[NH+](CC)CCN(Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667485004 547198389 /nfs/dbraw/zinc/19/83/89/547198389.db2.gz DCWMEKMYDXEDGX-UHFFFAOYSA-N 2 1 320.506 3.134 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667543951 547218959 /nfs/dbraw/zinc/21/89/59/547218959.db2.gz QQFLDAUKNMYNDE-UHFFFAOYSA-N 2 1 300.368 3.268 20 0 DGADMP COCc1csc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000667670983 547269112 /nfs/dbraw/zinc/26/91/12/547269112.db2.gz DQWJSLCLAMRPPE-OAHLLOKOSA-N 2 1 308.491 3.202 20 0 DGADMP COCc1csc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000667670983 547269114 /nfs/dbraw/zinc/26/91/14/547269114.db2.gz DQWJSLCLAMRPPE-OAHLLOKOSA-N 2 1 308.491 3.202 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667809551 547308036 /nfs/dbraw/zinc/30/80/36/547308036.db2.gz LKIYXNLYSRJCOE-RBUKOAKNSA-N 2 1 302.462 3.184 20 0 DGADMP CCCn1nccc1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160731 547398368 /nfs/dbraw/zinc/39/83/68/547398368.db2.gz DMVVUNFRKZNQKW-UHFFFAOYSA-N 2 1 314.477 3.377 20 0 DGADMP CCCn1nccc1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160731 547398371 /nfs/dbraw/zinc/39/83/71/547398371.db2.gz DMVVUNFRKZNQKW-UHFFFAOYSA-N 2 1 314.477 3.377 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668167924 547399511 /nfs/dbraw/zinc/39/95/11/547399511.db2.gz HXFDFYZZQATAPU-LJQANCHMSA-N 2 1 320.477 3.018 20 0 DGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172208 547403015 /nfs/dbraw/zinc/40/30/15/547403015.db2.gz HSSDCJXPAFZMBF-WMLDXEAASA-N 2 1 318.436 3.283 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172208 547403017 /nfs/dbraw/zinc/40/30/17/547403017.db2.gz HSSDCJXPAFZMBF-WMLDXEAASA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172208 547403020 /nfs/dbraw/zinc/40/30/20/547403020.db2.gz HSSDCJXPAFZMBF-WMLDXEAASA-N 2 1 318.436 3.283 20 0 DGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(OC3CC3)c2F)C1 ZINC000668172208 547403024 /nfs/dbraw/zinc/40/30/24/547403024.db2.gz HSSDCJXPAFZMBF-WMLDXEAASA-N 2 1 318.436 3.283 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000668194297 547411161 /nfs/dbraw/zinc/41/11/61/547411161.db2.gz DHPMULKZIDJKBJ-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000668194297 547411164 /nfs/dbraw/zinc/41/11/64/547411164.db2.gz DHPMULKZIDJKBJ-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000668194297 547411169 /nfs/dbraw/zinc/41/11/69/547411169.db2.gz DHPMULKZIDJKBJ-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCCC[N@@H+](Cc1cnc(C)n1C)[C@@H]1CCc2ncsc2C1 ZINC000668279076 547434913 /nfs/dbraw/zinc/43/49/13/547434913.db2.gz UPIZMUNBERFYEA-CQSZACIVSA-N 2 1 318.490 3.345 20 0 DGADMP C[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000668489002 547467255 /nfs/dbraw/zinc/46/72/55/547467255.db2.gz IYCOCFBLTKNEPA-DYESRHJHSA-N 2 1 324.468 3.147 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588312 547486190 /nfs/dbraw/zinc/48/61/90/547486190.db2.gz YCNMHNRSLIQDPC-RDJZCZTQSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588312 547486194 /nfs/dbraw/zinc/48/61/94/547486194.db2.gz YCNMHNRSLIQDPC-RDJZCZTQSA-N 2 1 302.462 3.320 20 0 DGADMP Cc1oc2ccccc2c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785848 547541039 /nfs/dbraw/zinc/54/10/39/547541039.db2.gz ZCYRTAZOXMWBSN-MRXNPFEDSA-N 2 1 316.445 3.284 20 0 DGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668818334 547549030 /nfs/dbraw/zinc/54/90/30/547549030.db2.gz GPQIMBFWCZZQJP-VQIMIIECSA-N 2 1 316.489 3.425 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C(C)(C)C ZINC000670267437 547741229 /nfs/dbraw/zinc/74/12/29/547741229.db2.gz FBZNPFRZJYWCOW-QRQLOZEOSA-N 2 1 318.505 3.141 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C(C)(C)C ZINC000670267437 547741233 /nfs/dbraw/zinc/74/12/33/547741233.db2.gz FBZNPFRZJYWCOW-QRQLOZEOSA-N 2 1 318.505 3.141 20 0 DGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671744544 547822925 /nfs/dbraw/zinc/82/29/25/547822925.db2.gz JFGQBVCYIUWWMG-KBAYOESNSA-N 2 1 316.489 3.435 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671746561 547824517 /nfs/dbraw/zinc/82/45/17/547824517.db2.gz CKOVQVRKNNNABE-NWDGAFQWSA-N 2 1 314.389 3.025 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000675497842 548226610 /nfs/dbraw/zinc/22/66/10/548226610.db2.gz QMVLZKRDZAGOJV-OALUTQOASA-N 2 1 312.461 3.088 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000675497842 548226612 /nfs/dbraw/zinc/22/66/12/548226612.db2.gz QMVLZKRDZAGOJV-OALUTQOASA-N 2 1 312.461 3.088 20 0 DGADMP Cc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000675641516 548244242 /nfs/dbraw/zinc/24/42/42/548244242.db2.gz JVQBRXHHEHQUGL-HUUCEWRRSA-N 2 1 320.481 3.416 20 0 DGADMP Cc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000675641516 548244247 /nfs/dbraw/zinc/24/42/47/548244247.db2.gz JVQBRXHHEHQUGL-HUUCEWRRSA-N 2 1 320.481 3.416 20 0 DGADMP C[C@@H]1C[C@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000675809146 548276852 /nfs/dbraw/zinc/27/68/52/548276852.db2.gz ZWRIWEIYDUEAGK-MISYRCLQSA-N 2 1 315.505 3.286 20 0 DGADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881198 548283373 /nfs/dbraw/zinc/28/33/73/548283373.db2.gz KKBUEBPKWIDUGR-HNAYVOBHSA-N 2 1 318.436 3.046 20 0 DGADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000675881716 548283569 /nfs/dbraw/zinc/28/35/69/548283569.db2.gz MSHASDCZTXDTHP-VQIMIIECSA-N 2 1 302.462 3.289 20 0 DGADMP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882325 548284260 /nfs/dbraw/zinc/28/42/60/548284260.db2.gz QRHGSRFSUZJCIR-YLJYHZDGSA-N 2 1 316.489 3.241 20 0 DGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882661 548284390 /nfs/dbraw/zinc/28/43/90/548284390.db2.gz UDRSXRWPBNATRZ-ZTNFWEORSA-N 2 1 314.473 3.153 20 0 DGADMP Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882596 548284433 /nfs/dbraw/zinc/28/44/33/548284433.db2.gz SJRPFRFLPJAGCT-FXAWDEMLSA-N 2 1 314.473 3.215 20 0 DGADMP FC(F)(F)c1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677236820 548472854 /nfs/dbraw/zinc/47/28/54/548472854.db2.gz JGRFHBPMGCHQIB-GJZGRUSLSA-N 2 1 312.379 3.464 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000678045382 548599731 /nfs/dbraw/zinc/59/97/31/548599731.db2.gz GTUJVVDYJGHUKV-QGZVFWFLSA-N 2 1 319.493 3.213 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073244 548607126 /nfs/dbraw/zinc/60/71/26/548607126.db2.gz OIWYXSSZKGIDHD-IBGZPJMESA-N 3 1 307.526 3.059 20 0 DGADMP C[N@@H+]1CCC[C@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073244 548607129 /nfs/dbraw/zinc/60/71/29/548607129.db2.gz OIWYXSSZKGIDHD-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP C[N@H+]1CCC[C@H]1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073244 548607133 /nfs/dbraw/zinc/60/71/33/548607133.db2.gz OIWYXSSZKGIDHD-IBGZPJMESA-N 2 1 307.526 3.059 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000678075453 548607777 /nfs/dbraw/zinc/60/77/77/548607777.db2.gz IBYZZZVBWUKJDF-LJQANCHMSA-N 2 1 313.445 3.435 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000678075453 548607781 /nfs/dbraw/zinc/60/77/81/548607781.db2.gz IBYZZZVBWUKJDF-LJQANCHMSA-N 2 1 313.445 3.435 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000678195041 548636457 /nfs/dbraw/zinc/63/64/57/548636457.db2.gz HZCPMWSQUMIMPI-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000678195041 548636461 /nfs/dbraw/zinc/63/64/61/548636461.db2.gz HZCPMWSQUMIMPI-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCOc2ccccc21 ZINC000678279703 548668055 /nfs/dbraw/zinc/66/80/55/548668055.db2.gz ZSAFXQTXDXWAPW-SJORKVTESA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCOc2ccccc21 ZINC000678279703 548668058 /nfs/dbraw/zinc/66/80/58/548668058.db2.gz ZSAFXQTXDXWAPW-SJORKVTESA-N 2 1 302.462 3.359 20 0 DGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCOc2ccccc21 ZINC000678279703 548668060 /nfs/dbraw/zinc/66/80/60/548668060.db2.gz ZSAFXQTXDXWAPW-SJORKVTESA-N 2 1 302.462 3.359 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678281685 548669114 /nfs/dbraw/zinc/66/91/14/548669114.db2.gz SQNGDSCBPZILLR-ZWKOTPCHSA-N 2 1 314.473 3.361 20 0 DGADMP CCC1(O)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000678497943 548718130 /nfs/dbraw/zinc/71/81/30/548718130.db2.gz MXGLUMCARXFXSS-UHFFFAOYSA-N 2 1 316.489 3.324 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678605594 548738257 /nfs/dbraw/zinc/73/82/57/548738257.db2.gz QPUVLIGYUUVHHT-SJORKVTESA-N 2 1 322.880 3.498 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000678817789 548769715 /nfs/dbraw/zinc/76/97/15/548769715.db2.gz LQGTVHVLIFFWFN-UHFFFAOYSA-N 2 1 307.507 3.184 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC000678929146 548795214 /nfs/dbraw/zinc/79/52/14/548795214.db2.gz ATQBZCRNQJAURT-YLJYHZDGSA-N 2 1 318.505 3.476 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678992444 548808257 /nfs/dbraw/zinc/80/82/57/548808257.db2.gz JPWPBLRABCLIOB-AWEZNQCLSA-N 2 1 307.507 3.186 20 0 DGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109314 548998040 /nfs/dbraw/zinc/99/80/40/548998040.db2.gz ALVMWHZYWLVVFJ-FUHWJXTLSA-N 2 1 306.425 3.153 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109314 548998043 /nfs/dbraw/zinc/99/80/43/548998043.db2.gz ALVMWHZYWLVVFJ-FUHWJXTLSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109314 548998046 /nfs/dbraw/zinc/99/80/46/548998046.db2.gz ALVMWHZYWLVVFJ-FUHWJXTLSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109314 548998048 /nfs/dbraw/zinc/99/80/48/548998048.db2.gz ALVMWHZYWLVVFJ-FUHWJXTLSA-N 2 1 306.425 3.153 20 0 DGADMP C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680478790 549058263 /nfs/dbraw/zinc/05/82/63/549058263.db2.gz RJEUDFIBCMUFLW-MRXNPFEDSA-N 2 1 313.445 3.215 20 0 DGADMP c1cnn(C[C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc2)c1 ZINC000682029201 549277460 /nfs/dbraw/zinc/27/74/60/549277460.db2.gz RVCNKSJDUYIYQZ-IBGZPJMESA-N 2 1 312.461 3.090 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076642 549285674 /nfs/dbraw/zinc/28/56/74/549285674.db2.gz VCQKUGAUQIRUJQ-MJGOQNOKSA-N 2 1 302.462 3.107 20 0 DGADMP CCCC[C@@H](CC)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682154568 549297657 /nfs/dbraw/zinc/29/76/57/549297657.db2.gz HHSWAELCYBYUKA-RTBURBONSA-N 2 1 309.542 3.305 20 0 DGADMP C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000682380490 549312562 /nfs/dbraw/zinc/31/25/62/549312562.db2.gz MNLYBUITPDWFBP-DDQUQZBUSA-N 2 1 318.465 3.344 20 0 DGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000683345646 549471861 /nfs/dbraw/zinc/47/18/61/549471861.db2.gz HJJWCJVGQZDDHK-HLIPFELVSA-N 2 1 316.489 3.401 20 0 DGADMP C[C@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000683705520 549522621 /nfs/dbraw/zinc/52/26/21/549522621.db2.gz YBLCSPJATAHWGJ-XLIONFOSSA-N 2 1 316.489 3.413 20 0 DGADMP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000684373230 549621530 /nfs/dbraw/zinc/62/15/30/549621530.db2.gz PYXWWPRDLGRTCS-CVEARBPZSA-N 2 1 317.408 3.367 20 0 DGADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000684377832 549623268 /nfs/dbraw/zinc/62/32/68/549623268.db2.gz GHNPKGTXWKODNU-KRWDZBQOSA-N 2 1 324.415 3.357 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684953138 549723771 /nfs/dbraw/zinc/72/37/71/549723771.db2.gz JDRPBPPBICVNEY-NUJGCVRESA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684959025 549725971 /nfs/dbraw/zinc/72/59/71/549725971.db2.gz DBGATEDLHIFZBE-WMZOPIPTSA-N 2 1 301.478 3.417 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684959025 549725972 /nfs/dbraw/zinc/72/59/72/549725972.db2.gz DBGATEDLHIFZBE-WMZOPIPTSA-N 2 1 301.478 3.417 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4cnccc43)C2)CC1 ZINC000685463145 549765316 /nfs/dbraw/zinc/76/53/16/549765316.db2.gz REGUVSPGQULZMZ-GOSISDBHSA-N 2 1 309.457 3.399 20 0 DGADMP CCCc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000685916847 549807720 /nfs/dbraw/zinc/80/77/20/549807720.db2.gz GBXSXRPQJZJVMJ-UHFFFAOYSA-N 2 1 321.428 3.237 20 0 DGADMP C[C@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@@H]1C ZINC000738340778 574866552 /nfs/dbraw/zinc/86/65/52/574866552.db2.gz OYIJUINNAPARSO-HOTGVXAUSA-N 2 1 316.580 3.421 20 0 DGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000742375939 574994027 /nfs/dbraw/zinc/99/40/27/574994027.db2.gz YCWGYDBDOPZGAW-UKRRQHHQSA-N 2 1 312.404 3.477 20 0 DGADMP CCCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC000746659353 575468005 /nfs/dbraw/zinc/46/80/05/575468005.db2.gz NXOIWRVLMIANEF-IEBWSBKVSA-N 2 1 304.478 3.306 20 0 DGADMP CCCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC000746659353 575468009 /nfs/dbraw/zinc/46/80/09/575468009.db2.gz NXOIWRVLMIANEF-IEBWSBKVSA-N 2 1 304.478 3.306 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000747532063 575523475 /nfs/dbraw/zinc/52/34/75/575523475.db2.gz HNKSTXIHWQEELY-RLFYNMQTSA-N 2 1 324.896 3.221 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000747532063 575523478 /nfs/dbraw/zinc/52/34/78/575523478.db2.gz HNKSTXIHWQEELY-RLFYNMQTSA-N 2 1 324.896 3.221 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC(C)(O)CC1 ZINC000749292050 575642814 /nfs/dbraw/zinc/64/28/14/575642814.db2.gz SHRWRAMLCYGOMH-UHFFFAOYSA-N 2 1 318.505 3.428 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC000310483683 575931866 /nfs/dbraw/zinc/93/18/66/575931866.db2.gz FJCLYPNGQZTWGN-IPMKNSEASA-N 2 1 322.456 3.416 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC000310483683 575931869 /nfs/dbraw/zinc/93/18/69/575931869.db2.gz FJCLYPNGQZTWGN-IPMKNSEASA-N 2 1 322.456 3.416 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728720 620643662 /nfs/dbraw/zinc/64/36/62/620643662.db2.gz GERDGZSGOFOPDI-IRXDYDNUSA-N 2 1 321.852 3.193 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239955 620681074 /nfs/dbraw/zinc/68/10/74/620681074.db2.gz KNQYYTLMTKCDLC-NVXWUHKLSA-N 2 1 314.473 3.394 20 0 DGADMP CC(C)[N@H+](C)CC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853497107 620701837 /nfs/dbraw/zinc/70/18/37/620701837.db2.gz QHRLYKDWXODBEQ-UHFFFAOYSA-N 2 1 324.900 3.424 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853497107 620701838 /nfs/dbraw/zinc/70/18/38/620701838.db2.gz QHRLYKDWXODBEQ-UHFFFAOYSA-N 2 1 324.900 3.424 20 0 DGADMP Nc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(Cl)c[nH+]1 ZINC000891620662 617855492 /nfs/dbraw/zinc/85/54/92/617855492.db2.gz HQRIEKLSAYBVLW-UHFFFAOYSA-N 2 1 316.836 3.030 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC000891752423 617889797 /nfs/dbraw/zinc/88/97/97/617889797.db2.gz ITRNOKKKGXDKOB-SFHVURJKSA-N 2 1 302.462 3.044 20 0 DGADMP O[C@@H](C[N@H+](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000919770940 620765413 /nfs/dbraw/zinc/76/54/13/620765413.db2.gz WZLSVGDWVOPHBW-HXUWFJFHSA-N 2 1 316.489 3.278 20 0 DGADMP O[C@@H](C[N@@H+](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000919770940 620765416 /nfs/dbraw/zinc/76/54/16/620765416.db2.gz WZLSVGDWVOPHBW-HXUWFJFHSA-N 2 1 316.489 3.278 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000892460573 618071797 /nfs/dbraw/zinc/07/17/97/618071797.db2.gz PFODEFJYWNXARA-UHFFFAOYSA-N 2 1 312.461 3.350 20 0 DGADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892584360 618112748 /nfs/dbraw/zinc/11/27/48/618112748.db2.gz JNNMWJHQPQLTTL-ZDUSSCGKSA-N 2 1 308.495 3.017 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000892584360 618112751 /nfs/dbraw/zinc/11/27/51/618112751.db2.gz JNNMWJHQPQLTTL-ZDUSSCGKSA-N 2 1 308.495 3.017 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c(F)c1 ZINC000892586968 618113715 /nfs/dbraw/zinc/11/37/15/618113715.db2.gz OZONJZDFKICXRQ-GPDROORESA-N 2 1 306.400 3.427 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c(F)c1 ZINC000892586968 618113716 /nfs/dbraw/zinc/11/37/16/618113716.db2.gz OZONJZDFKICXRQ-GPDROORESA-N 2 1 306.400 3.427 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1F ZINC000854229279 620786645 /nfs/dbraw/zinc/78/66/45/620786645.db2.gz JXSWFHHFJFZBDM-ATLSCFEFSA-N 2 1 318.436 3.058 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1C ZINC000893101322 618426121 /nfs/dbraw/zinc/42/61/21/618426121.db2.gz OOEWMZNZEACZJA-UHFFFAOYSA-N 2 1 318.505 3.325 20 0 DGADMP Cc1n[nH]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747539 618443520 /nfs/dbraw/zinc/44/35/20/618443520.db2.gz KEWIKZYLZCSJPR-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1[nH]nc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747539 618443524 /nfs/dbraw/zinc/44/35/24/618443524.db2.gz KEWIKZYLZCSJPR-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1[nH]nc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747539 618443528 /nfs/dbraw/zinc/44/35/28/618443528.db2.gz KEWIKZYLZCSJPR-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780965 618456104 /nfs/dbraw/zinc/45/61/04/618456104.db2.gz BKAMFQYRDDILBK-WFASDCNBSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cccc2O)s1 ZINC000894780965 618456108 /nfs/dbraw/zinc/45/61/08/618456108.db2.gz BKAMFQYRDDILBK-WFASDCNBSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780965 618456110 /nfs/dbraw/zinc/45/61/10/618456110.db2.gz BKAMFQYRDDILBK-WFASDCNBSA-N 2 1 304.459 3.379 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894780965 618456112 /nfs/dbraw/zinc/45/61/12/618456112.db2.gz BKAMFQYRDDILBK-WFASDCNBSA-N 2 1 304.459 3.379 20 0 DGADMP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000925533833 618478046 /nfs/dbraw/zinc/47/80/46/618478046.db2.gz HFFAYYLGBQVMPZ-VQTJNVASSA-N 3 1 319.537 3.151 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000925587941 618501843 /nfs/dbraw/zinc/50/18/43/618501843.db2.gz LKZOOWPHZXLGEL-QRVBRYPASA-N 2 1 310.526 3.275 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000893534410 618587750 /nfs/dbraw/zinc/58/77/50/618587750.db2.gz LEKZLUWONINNQO-HNNXBMFYSA-N 2 1 306.498 3.435 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000925763800 618604145 /nfs/dbraw/zinc/60/41/45/618604145.db2.gz FBTXQOVYPNMQLH-ARFHVFGLSA-N 2 1 307.869 3.444 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773761 618614709 /nfs/dbraw/zinc/61/47/09/618614709.db2.gz PARPWKKTTHODKV-SQNIBIBYSA-N 2 1 300.446 3.029 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC[NH2+]2)cc1 ZINC000925773759 618614892 /nfs/dbraw/zinc/61/48/92/618614892.db2.gz PARPWKKTTHODKV-KSZLIROESA-N 2 1 300.446 3.029 20 0 DGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780511 618617749 /nfs/dbraw/zinc/61/77/49/618617749.db2.gz SQBGLNCYBFQEDQ-ZFWWWQNUSA-N 2 1 312.404 3.369 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781110 618618156 /nfs/dbraw/zinc/61/81/56/618618156.db2.gz WQXPLHUAGIOERV-DGCLKSJQSA-N 2 1 300.418 3.304 20 0 DGADMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000925834356 618641375 /nfs/dbraw/zinc/64/13/75/618641375.db2.gz VZMUNMZOZRPAOZ-MGPQQGTHSA-N 2 1 305.491 3.032 20 0 DGADMP Cc1cc(C)cc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925845991 618644877 /nfs/dbraw/zinc/64/48/77/618644877.db2.gz QTNNMZAPOYTOCV-SFHVURJKSA-N 2 1 303.494 3.030 20 0 DGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc2c1OCC2 ZINC000925889142 618653112 /nfs/dbraw/zinc/65/31/12/618653112.db2.gz HLAMWXQRZPGFEF-SGMGOOAPSA-N 2 1 308.853 3.314 20 0 DGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044869 618698867 /nfs/dbraw/zinc/69/88/67/618698867.db2.gz LVIRMHCQOLLNAX-WBVHZDCISA-N 2 1 320.477 3.317 20 0 DGADMP Cc1cnccc1OC1CC[NH+](Cc2cnc(F)cc2C)CC1 ZINC000894081466 618703844 /nfs/dbraw/zinc/70/38/44/618703844.db2.gz YPAIZSVVBKLJMY-UHFFFAOYSA-N 2 1 315.392 3.276 20 0 DGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccccc1 ZINC000894144406 618720170 /nfs/dbraw/zinc/72/01/70/618720170.db2.gz ULTNDMIHPNYMQS-BMSWRWNDSA-N 2 1 302.462 3.104 20 0 DGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000894260208 618743907 /nfs/dbraw/zinc/74/39/07/618743907.db2.gz LPJRCFZGCFVDQJ-YJBOKZPZSA-N 2 1 302.462 3.227 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894323416 618764265 /nfs/dbraw/zinc/76/42/65/618764265.db2.gz GJZBZUHTYIRPCN-AEFFLSMTSA-N 2 1 324.472 3.115 20 0 DGADMP Cc1ccnc(N)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000894323416 618764268 /nfs/dbraw/zinc/76/42/68/618764268.db2.gz GJZBZUHTYIRPCN-AEFFLSMTSA-N 2 1 324.472 3.115 20 0 DGADMP Cc1noc2ncc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc12 ZINC000894327654 618765022 /nfs/dbraw/zinc/76/50/22/618765022.db2.gz VTAYSBCOHAQSIY-UHFFFAOYSA-N 2 1 304.438 3.130 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462237 618787776 /nfs/dbraw/zinc/78/77/76/618787776.db2.gz VRCPQSPFXFSRDO-IUODEOHRSA-N 2 1 302.443 3.133 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462237 618787777 /nfs/dbraw/zinc/78/77/77/618787777.db2.gz VRCPQSPFXFSRDO-IUODEOHRSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462237 618787778 /nfs/dbraw/zinc/78/77/78/618787778.db2.gz VRCPQSPFXFSRDO-IUODEOHRSA-N 2 1 302.443 3.133 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cccc4O)s3)CC[C@H]21 ZINC000895462237 618787781 /nfs/dbraw/zinc/78/77/81/618787781.db2.gz VRCPQSPFXFSRDO-IUODEOHRSA-N 2 1 302.443 3.133 20 0 DGADMP CC(C)C[N@H+](Cc1nc(C(C)C)c[nH]1)CC1CC[NH+](C)CC1 ZINC000895465256 618788438 /nfs/dbraw/zinc/78/84/38/618788438.db2.gz AGVSVBHWXQSSMD-UHFFFAOYSA-N 2 1 306.498 3.333 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000895479731 618790328 /nfs/dbraw/zinc/79/03/28/618790328.db2.gz UMUKVPFRZQNDJW-LJQANCHMSA-N 2 1 315.505 3.492 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000895479731 618790331 /nfs/dbraw/zinc/79/03/31/618790331.db2.gz UMUKVPFRZQNDJW-LJQANCHMSA-N 2 1 315.505 3.492 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(C(F)F)nc2)CCN1c1cc[nH+]cc1 ZINC000895557043 618798552 /nfs/dbraw/zinc/79/85/52/618798552.db2.gz LETFDYNOBFBPIK-ZDUSSCGKSA-N 2 1 318.371 3.125 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)nc2)CCN1c1cc[nH+]cc1 ZINC000895557043 618798553 /nfs/dbraw/zinc/79/85/53/618798553.db2.gz LETFDYNOBFBPIK-ZDUSSCGKSA-N 2 1 318.371 3.125 20 0 DGADMP COCc1csc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000895556747 618798745 /nfs/dbraw/zinc/79/87/45/618798745.db2.gz JQRBRJDYQDTFHC-AWEZNQCLSA-N 2 1 317.458 3.000 20 0 DGADMP C[C@H]1C[N@H+](Cc2scnc2C2CC2)CCN1c1cc[nH+]cc1 ZINC000895558301 618798982 /nfs/dbraw/zinc/79/89/82/618798982.db2.gz VGELZZBUIKYJNR-ZDUSSCGKSA-N 2 1 314.458 3.126 20 0 DGADMP C[C@H]1C[N@@H+](Cc2scnc2C2CC2)CCN1c1cc[nH+]cc1 ZINC000895558301 618798983 /nfs/dbraw/zinc/79/89/83/618798983.db2.gz VGELZZBUIKYJNR-ZDUSSCGKSA-N 2 1 314.458 3.126 20 0 DGADMP CC[N@@H+]1CC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672087 618816466 /nfs/dbraw/zinc/81/64/66/618816466.db2.gz OQJASCQGOSZPSO-MISYRCLQSA-N 2 1 313.489 3.038 20 0 DGADMP CC[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672087 618816468 /nfs/dbraw/zinc/81/64/68/618816468.db2.gz OQJASCQGOSZPSO-MISYRCLQSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672087 618816469 /nfs/dbraw/zinc/81/64/69/618816469.db2.gz OQJASCQGOSZPSO-MISYRCLQSA-N 2 1 313.489 3.038 20 0 DGADMP CC[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672087 618816472 /nfs/dbraw/zinc/81/64/72/618816472.db2.gz OQJASCQGOSZPSO-MISYRCLQSA-N 2 1 313.489 3.038 20 0 DGADMP C[NH+](C)CC[C@H](Nc1[nH+]ccc2c(N)cccc21)c1cccnc1 ZINC000895890020 618845964 /nfs/dbraw/zinc/84/59/64/618845964.db2.gz AXNYIVJJWBDWSE-SFHVURJKSA-N 2 1 321.428 3.317 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2[nH]c(=O)oc21 ZINC000896028556 618864928 /nfs/dbraw/zinc/86/49/28/618864928.db2.gz SMQQFCFVZWKDBC-UHFFFAOYSA-N 2 1 317.433 3.231 20 0 DGADMP C[C@@H](CC[NH2+]C1CC2(C1)CO[C@H](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000925199307 619073452 /nfs/dbraw/zinc/07/34/52/619073452.db2.gz AGKXHPNTHLHLLX-QREPNTDJSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000897969990 619196130 /nfs/dbraw/zinc/19/61/30/619196130.db2.gz QFNHNHSWRZHNPU-SFHVURJKSA-N 2 1 323.484 3.309 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000898310510 619236280 /nfs/dbraw/zinc/23/62/80/619236280.db2.gz WNIILQKYIUOTQH-UHFFFAOYSA-N 2 1 300.450 3.096 20 0 DGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000898310510 619236281 /nfs/dbraw/zinc/23/62/81/619236281.db2.gz WNIILQKYIUOTQH-UHFFFAOYSA-N 2 1 300.450 3.096 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000898380846 619240788 /nfs/dbraw/zinc/24/07/88/619240788.db2.gz WGJNQWGJNZABTH-MJXNMMHHSA-N 2 1 311.429 3.256 20 0 DGADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)[NH+]1CCCC1 ZINC000924638687 619251490 /nfs/dbraw/zinc/25/14/90/619251490.db2.gz KNUUHJTUGAOGKU-QRQLOZEOSA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683166 619257113 /nfs/dbraw/zinc/25/71/13/619257113.db2.gz ZHXPYWNYIKSIFY-QGTPRVQTSA-N 2 1 302.462 3.191 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683166 619257115 /nfs/dbraw/zinc/25/71/15/619257115.db2.gz ZHXPYWNYIKSIFY-QGTPRVQTSA-N 2 1 302.462 3.191 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900953635 619461104 /nfs/dbraw/zinc/46/11/04/619461104.db2.gz BWVSNCFZPZMZJJ-WMZOPIPTSA-N 2 1 315.461 3.012 20 0 DGADMP CCNc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000902258207 619608233 /nfs/dbraw/zinc/60/82/33/619608233.db2.gz UKHLHWOAEPOBEV-CALCHBBNSA-N 2 1 319.493 3.097 20 0 DGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1)c1c[nH+]ccc1N ZINC000902454272 619640399 /nfs/dbraw/zinc/64/03/99/619640399.db2.gz RYPDVGPDZAZJRL-NQBHXWOUSA-N 2 1 303.356 3.369 20 0 DGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902516114 619647923 /nfs/dbraw/zinc/64/79/23/619647923.db2.gz BLVNLZQALXHAKQ-PRHYDEJPSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnc2)c1 ZINC000902742649 619668834 /nfs/dbraw/zinc/66/88/34/619668834.db2.gz VEQOWPLPTMSKGR-HZPDHXFCSA-N 2 1 310.445 3.007 20 0 DGADMP C([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000902742422 619669098 /nfs/dbraw/zinc/66/90/98/619669098.db2.gz PPSBFDFOWHWURX-SZMVWBNQSA-N 2 1 306.494 3.046 20 0 DGADMP CCCn1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000902749213 619670010 /nfs/dbraw/zinc/67/00/10/619670010.db2.gz QXJQNEKCKQMHGX-IXDOHACOSA-N 2 1 321.513 3.097 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)[C@H](C)C1 ZINC000902806900 619676031 /nfs/dbraw/zinc/67/60/31/619676031.db2.gz QEJTZWOWCBMZIN-DFEOGRTESA-N 2 1 308.510 3.292 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902790190 619676935 /nfs/dbraw/zinc/67/69/35/619676935.db2.gz NDAIFRHBKQFBQJ-MAUKXSAKSA-N 2 1 307.482 3.259 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000903016770 619701877 /nfs/dbraw/zinc/70/18/77/619701877.db2.gz HKOWRAPVIOFOEB-IRXDYDNUSA-N 2 1 312.461 3.255 20 0 DGADMP COC(=O)c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000903017280 619701979 /nfs/dbraw/zinc/70/19/79/619701979.db2.gz MGFFQXUKVYQXDN-CVEARBPZSA-N 2 1 318.461 3.164 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000903017777 619702331 /nfs/dbraw/zinc/70/23/31/619702331.db2.gz YEAQBNLSFWGVCU-MRXNPFEDSA-N 2 1 312.461 3.397 20 0 DGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2ccnc2)c1 ZINC000903010004 619704254 /nfs/dbraw/zinc/70/42/54/619704254.db2.gz GZDGSNSHKRHGTJ-MIGBEJBISA-N 2 1 310.445 3.148 20 0 DGADMP CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+](C)C ZINC000903066212 619709488 /nfs/dbraw/zinc/70/94/88/619709488.db2.gz IVNQRXHFDQMSLZ-ZCTYVAAUSA-N 2 1 307.526 3.100 20 0 DGADMP CCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903065069 619709505 /nfs/dbraw/zinc/70/95/05/619709505.db2.gz GJFAUMHFKZHNIH-CTXDPNEZSA-N 2 1 314.473 3.471 20 0 DGADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000903075117 619711443 /nfs/dbraw/zinc/71/14/43/619711443.db2.gz ZBLWBWXHJAINNW-RTBURBONSA-N 2 1 302.462 3.117 20 0 DGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075728 619711819 /nfs/dbraw/zinc/71/18/19/619711819.db2.gz CHKFWUVXCUNIAB-ZZQNOKKSSA-N 2 1 319.537 3.100 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1F)C1CCOCC1 ZINC000903086116 619713526 /nfs/dbraw/zinc/71/35/26/619713526.db2.gz KCHNXTSXIVSJMK-GOSISDBHSA-N 2 1 317.408 3.088 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903068707 619714622 /nfs/dbraw/zinc/71/46/22/619714622.db2.gz KVJVUNQTRPJFIT-FQVATPOOSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903068707 619714624 /nfs/dbraw/zinc/71/46/24/619714624.db2.gz KVJVUNQTRPJFIT-FQVATPOOSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@@H]1CCC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903068707 619714626 /nfs/dbraw/zinc/71/46/26/619714626.db2.gz KVJVUNQTRPJFIT-FQVATPOOSA-N 3 1 319.537 3.246 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1cnn(CC2CCC2)c1)C[NH+]1CCCC1 ZINC000903073839 619715934 /nfs/dbraw/zinc/71/59/34/619715934.db2.gz LHUVNHZWRDSABZ-HZPDHXFCSA-N 2 1 304.482 3.066 20 0 DGADMP C[C@H](C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1)C[NH+]1CCCC1 ZINC000903073837 619715942 /nfs/dbraw/zinc/71/59/42/619715942.db2.gz LHUVNHZWRDSABZ-CVEARBPZSA-N 2 1 304.482 3.066 20 0 DGADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903091925 619718687 /nfs/dbraw/zinc/71/86/87/619718687.db2.gz CWKOWSCPQUDCAF-ZNXRZULTSA-N 2 1 315.461 3.118 20 0 DGADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903091925 619718690 /nfs/dbraw/zinc/71/86/90/619718690.db2.gz CWKOWSCPQUDCAF-ZNXRZULTSA-N 2 1 315.461 3.118 20 0 DGADMP Clc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903113873 619719745 /nfs/dbraw/zinc/71/97/45/619719745.db2.gz XQRLZIIOUZNYOU-VHRNVKJDSA-N 2 1 305.853 3.025 20 0 DGADMP Cc1ccc2c(c1C)OC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903118482 619721241 /nfs/dbraw/zinc/72/12/41/619721241.db2.gz VRQFCVYDWJGLOT-KTWXZFIHSA-N 2 1 312.457 3.484 20 0 DGADMP COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903126881 619722649 /nfs/dbraw/zinc/72/26/49/619722649.db2.gz DQDITBQCENWSON-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP C[C@H](C[NH2+][C@H](c1ccccc1F)C1CCOCC1)C[NH+](C)C ZINC000903174100 619730000 /nfs/dbraw/zinc/73/00/00/619730000.db2.gz DERHIPVTXWNNKZ-KDOFPFPSSA-N 2 1 308.441 3.081 20 0 DGADMP c1ccc2c(c1)onc2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903196235 619734636 /nfs/dbraw/zinc/73/46/36/619734636.db2.gz KMOZJCHPEDFZMK-VHRNVKJDSA-N 2 1 311.429 3.118 20 0 DGADMP c1ccc(O[C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903200863 619735331 /nfs/dbraw/zinc/73/53/31/619735331.db2.gz TZHPBXKHSZMMIO-IYLKDRPCSA-N 2 1 312.457 3.344 20 0 DGADMP COCc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903200578 619735461 /nfs/dbraw/zinc/73/54/61/619735461.db2.gz RQIPCSWJCXIHGG-VHRNVKJDSA-N 2 1 306.475 3.142 20 0 DGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCOCC1 ZINC000903244004 619743373 /nfs/dbraw/zinc/74/33/73/619743373.db2.gz MDZUNOGEQIGPGZ-ZNXRZULTSA-N 2 1 306.494 3.187 20 0 DGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccnc1 ZINC000903383353 619769100 /nfs/dbraw/zinc/76/91/00/619769100.db2.gz LYWSHANKSFXRDM-PMACEKPBSA-N 2 1 309.457 3.222 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903453760 619779216 /nfs/dbraw/zinc/77/92/16/619779216.db2.gz KUCNAXLEOPJCIG-FJIDUMEYSA-N 2 1 320.427 3.499 20 0 DGADMP c1ccc([C@@H]2CCC[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCC4)O2)cc1 ZINC000903472748 619780093 /nfs/dbraw/zinc/78/00/93/619780093.db2.gz VVZKSTKALUSQLM-FGTMMUONSA-N 2 1 300.446 3.171 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903475908 619780199 /nfs/dbraw/zinc/78/01/99/619780199.db2.gz HIMKPFRQRTWPSU-IKGGRYGDSA-N 2 1 302.462 3.120 20 0 DGADMP FC1(F)C[C@]2(CC[N@@H+](CCCC3CC[NH2+]CC3)C2)C1(F)F ZINC000903490663 619782378 /nfs/dbraw/zinc/78/23/78/619782378.db2.gz CCQVSPINMIGIPZ-ZDUSSCGKSA-N 2 1 308.363 3.133 20 0 DGADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1)C1CC[NH2+]CC1 ZINC000903565576 619783750 /nfs/dbraw/zinc/78/37/50/619783750.db2.gz MQDNDOYMEHIGHA-OAHLLOKOSA-N 2 1 319.518 3.201 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000903722466 619803588 /nfs/dbraw/zinc/80/35/88/619803588.db2.gz BDMWHXRLFXDGFM-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722487 619803732 /nfs/dbraw/zinc/80/37/32/619803732.db2.gz BJZXTTCBXKHMOQ-COXVUDFISA-N 2 1 308.853 3.101 20 0 DGADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723575 619804029 /nfs/dbraw/zinc/80/40/29/619804029.db2.gz IRDLLLPUZLUFNZ-ROUUACIJSA-N 2 1 318.436 3.121 20 0 DGADMP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000903724145 619804056 /nfs/dbraw/zinc/80/40/56/619804056.db2.gz LJLYDHZUGDSZAO-HZPDHXFCSA-N 2 1 306.475 3.044 20 0 DGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723971 619804116 /nfs/dbraw/zinc/80/41/16/619804116.db2.gz KFOVLFBSAXWJCE-ALKREAHSSA-N 2 1 314.429 3.194 20 0 DGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724504 619804187 /nfs/dbraw/zinc/80/41/87/619804187.db2.gz OCQFEQLXNUYONG-XYPHTWIQSA-N 2 1 308.853 3.101 20 0 DGADMP CCC[N@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000903726751 619804618 /nfs/dbraw/zinc/80/46/18/619804618.db2.gz OFCJVJVJOYMGKQ-IRXDYDNUSA-N 2 1 317.477 3.115 20 0 DGADMP CCC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000903726751 619804619 /nfs/dbraw/zinc/80/46/19/619804619.db2.gz OFCJVJVJOYMGKQ-IRXDYDNUSA-N 2 1 317.477 3.115 20 0 DGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c(C)c1 ZINC000903725079 619805068 /nfs/dbraw/zinc/80/50/68/619805068.db2.gz WCQWKLFHSBNFGY-JENIJYKNSA-N 2 1 302.462 3.065 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)cc1F ZINC000903765016 619809387 /nfs/dbraw/zinc/80/93/87/619809387.db2.gz DPBCGNYLNDADKE-PBHICJAKSA-N 2 1 306.425 3.361 20 0 DGADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000903777706 619812272 /nfs/dbraw/zinc/81/22/72/619812272.db2.gz CPFBDDCOSHBVRV-ZWKOTPCHSA-N 2 1 306.494 3.047 20 0 DGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788364 619814029 /nfs/dbraw/zinc/81/40/29/619814029.db2.gz JAKWHELYJSYHOF-CMKODMSKSA-N 2 1 314.473 3.023 20 0 DGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814749 619814393 /nfs/dbraw/zinc/81/43/93/619814393.db2.gz IWXOCVJMUXOSPS-UHFFFAOYSA-N 2 1 310.441 3.184 20 0 DGADMP CCSc1ccccc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819536 619818995 /nfs/dbraw/zinc/81/89/95/619818995.db2.gz KAIRQZZWQZJPIF-UHFFFAOYSA-N 2 1 320.502 3.143 20 0 DGADMP CCSc1ccccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819536 619818997 /nfs/dbraw/zinc/81/89/97/619818997.db2.gz KAIRQZZWQZJPIF-UHFFFAOYSA-N 2 1 320.502 3.143 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCCSC[C@@H]1C1CC1)C[NH2+]CC2 ZINC000903827248 619820149 /nfs/dbraw/zinc/82/01/49/619820149.db2.gz QUXPZQIUNZVOMW-GOSISDBHSA-N 2 1 302.487 3.050 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000903848925 619823583 /nfs/dbraw/zinc/82/35/83/619823583.db2.gz VFARZAJLBAUYPZ-CQDKDKBSSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3ccc(Cl)cc3)o1)C2 ZINC000903849037 619823701 /nfs/dbraw/zinc/82/37/01/619823701.db2.gz WZEYCRSFOBSXCH-GLQYFDAESA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3ccc(Cl)cc3)o1)C2 ZINC000903849037 619823704 /nfs/dbraw/zinc/82/37/04/619823704.db2.gz WZEYCRSFOBSXCH-GLQYFDAESA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1coc(-c3ccc(Cl)cc3)n1)C2 ZINC000903848318 619823873 /nfs/dbraw/zinc/82/38/73/619823873.db2.gz PGSRAQANTZCZGQ-PJODQICGSA-N 2 1 317.820 3.307 20 0 DGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1coc(-c3ccc(Cl)cc3)n1)C2 ZINC000903848318 619823877 /nfs/dbraw/zinc/82/38/77/619823877.db2.gz PGSRAQANTZCZGQ-PJODQICGSA-N 2 1 317.820 3.307 20 0 DGADMP c1cc([C@@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCO2 ZINC000903890459 619826394 /nfs/dbraw/zinc/82/63/94/619826394.db2.gz CHPQFNAQKFBNHJ-YQAQFAQXSA-N 2 1 314.429 3.083 20 0 DGADMP COc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)C2CC2)cc1 ZINC000903876134 619827403 /nfs/dbraw/zinc/82/74/03/619827403.db2.gz DKOATRAAGCSAFL-WFASDCNBSA-N 2 1 312.404 3.278 20 0 DGADMP C[N@@H+](CCOc1ccccc1Cl)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878805 619827874 /nfs/dbraw/zinc/82/78/74/619827874.db2.gz ZPGZYAJIBVGTNO-GOOCMWNKSA-N 2 1 308.853 3.181 20 0 DGADMP Cc1c(C[C@H](C[NH3+])C[N@H+](CCC(C)C)C2CCCC2)cnn1C ZINC000903886405 619828809 /nfs/dbraw/zinc/82/88/09/619828809.db2.gz RRBLEEKDEMIZMR-QGZVFWFLSA-N 2 1 320.525 3.137 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903893790 619829122 /nfs/dbraw/zinc/82/91/22/619829122.db2.gz ZMYMZENOJQCEAB-OAHLLOKOSA-N 2 1 310.441 3.101 20 0 DGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000903892544 619829414 /nfs/dbraw/zinc/82/94/14/619829414.db2.gz UPDZBBREMOPWFC-UMQXSMKFSA-N 3 1 319.537 3.105 20 0 DGADMP CCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000903895911 619830229 /nfs/dbraw/zinc/83/02/29/619830229.db2.gz RSQVABVTNPXKRT-MIEORUQNSA-N 2 1 306.494 3.043 20 0 DGADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](c2ccc(F)cc2)O1 ZINC000903895199 619830248 /nfs/dbraw/zinc/83/02/48/619830248.db2.gz LJJWWMVGKYISLL-GOALRLPTSA-N 2 1 318.436 3.118 20 0 DGADMP OCCC[N@H+](Cc1cccc(Cl)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898119 619830724 /nfs/dbraw/zinc/83/07/24/619830724.db2.gz JFXZBBXYRDHWFN-ZNXRZULTSA-N 2 1 322.880 3.055 20 0 DGADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903902506 619831808 /nfs/dbraw/zinc/83/18/08/619831808.db2.gz IBURTFQQMKNXHX-SWLSCSKDSA-N 2 1 312.379 3.495 20 0 DGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903913149 619833795 /nfs/dbraw/zinc/83/37/95/619833795.db2.gz NOQGAANXDAPJTD-FXANMCRTSA-N 2 1 322.880 3.490 20 0 DGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000903937330 619837898 /nfs/dbraw/zinc/83/78/98/619837898.db2.gz IGNVPSJTMLZUQM-DSLRARGZSA-N 3 1 319.537 3.137 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000903958349 619839118 /nfs/dbraw/zinc/83/91/18/619839118.db2.gz YCRAXKQIVFYXDD-MRVPVSSYSA-N 2 1 314.323 3.101 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000903954578 619846102 /nfs/dbraw/zinc/84/61/02/619846102.db2.gz FSYKOIBONPDHAY-SNVBAGLBSA-N 2 1 309.187 3.328 20 0 DGADMP FC(F)(F)c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955055 619846164 /nfs/dbraw/zinc/84/61/64/619846164.db2.gz JQBQRSHOXYMWOR-LLVKDONJSA-N 2 1 308.294 3.040 20 0 DGADMP COc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904309123 619911869 /nfs/dbraw/zinc/91/18/69/619911869.db2.gz ADAMNZPOPXDXHT-KDURUIRLSA-N 2 1 310.441 3.435 20 0 DGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904314059 619912232 /nfs/dbraw/zinc/91/22/32/619912232.db2.gz RCRCUTSUDDNTDK-PKOBYXMFSA-N 2 1 302.462 3.092 20 0 DGADMP Cc1ccc(C(=O)C2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000904312907 619912289 /nfs/dbraw/zinc/91/22/89/619912289.db2.gz PMFBWCPQAIYAOG-HXUWFJFHSA-N 2 1 314.473 3.279 20 0 DGADMP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000904327841 619913950 /nfs/dbraw/zinc/91/39/50/619913950.db2.gz JBQVCNALGZPPEW-XYJFISCASA-N 2 1 307.526 3.089 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000904346805 619915159 /nfs/dbraw/zinc/91/51/59/619915159.db2.gz ZKMXUCQIWHFATM-NTZNESFSSA-N 2 1 315.244 3.184 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)[nH]n1 ZINC000904385332 619918606 /nfs/dbraw/zinc/91/86/06/619918606.db2.gz VUHVLUVVXJHZGN-CRAIPNDOSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385332 619918609 /nfs/dbraw/zinc/91/86/09/619918609.db2.gz VUHVLUVVXJHZGN-CRAIPNDOSA-N 2 1 304.482 3.102 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)n[nH]1 ZINC000904385332 619918613 /nfs/dbraw/zinc/91/86/13/619918613.db2.gz VUHVLUVVXJHZGN-CRAIPNDOSA-N 2 1 304.482 3.102 20 0 DGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1)C1CCCC1 ZINC000904385600 619919190 /nfs/dbraw/zinc/91/91/90/619919190.db2.gz ZWUAOGAKCZBQHI-MAUKXSAKSA-N 2 1 316.493 3.338 20 0 DGADMP C[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000904406400 619920041 /nfs/dbraw/zinc/92/00/41/619920041.db2.gz SFGKTNZHNJRHPY-QWHCGFSZSA-N 2 1 311.267 3.223 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405428 619920176 /nfs/dbraw/zinc/92/01/76/619920176.db2.gz IFKHQRJHLPAIPT-AWEZNQCLSA-N 2 1 318.852 3.005 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000904409931 619920331 /nfs/dbraw/zinc/92/03/31/619920331.db2.gz KULAJYYTFJOIQQ-KRWDZBQOSA-N 2 1 320.440 3.196 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000904406988 619920409 /nfs/dbraw/zinc/92/04/09/619920409.db2.gz ZTWOVHNCAOCUNY-CQSZACIVSA-N 2 1 307.869 3.111 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC000904409964 619920517 /nfs/dbraw/zinc/92/05/17/619920517.db2.gz LAOGEUJRNBGLDQ-FUHWJXTLSA-N 2 1 324.472 3.266 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000904410387 619920539 /nfs/dbraw/zinc/92/05/39/619920539.db2.gz CUIMYQJDSXGHFI-VXGBXAGGSA-N 2 1 302.340 3.002 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OCC ZINC000904411669 619920615 /nfs/dbraw/zinc/92/06/15/619920615.db2.gz VKTGMWCEDRBREQ-HNNXBMFYSA-N 2 1 306.450 3.045 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1C[NH3+] ZINC000904411445 619920634 /nfs/dbraw/zinc/92/06/34/619920634.db2.gz NGNIVOUNZAGAQB-CABCVRRESA-N 2 1 321.896 3.357 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1C[NH3+] ZINC000904412378 619921061 /nfs/dbraw/zinc/92/10/61/619921061.db2.gz UQQYJONEMGPSIX-DZGCQCFKSA-N 2 1 301.459 3.227 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@H]1C[NH3+] ZINC000904412379 619921168 /nfs/dbraw/zinc/92/11/68/619921168.db2.gz UQQYJONEMGPSIX-HIFRSBDPSA-N 2 1 301.459 3.227 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000905047980 619966519 /nfs/dbraw/zinc/96/65/19/619966519.db2.gz WDORFGZHXMYLKZ-IEBWSBKVSA-N 2 1 304.478 3.130 20 0 DGADMP Cc1c(Cl)ccc2ccc(NCC[NH+]3CCC([NH3+])CC3)nc12 ZINC000905707134 620019081 /nfs/dbraw/zinc/01/90/81/620019081.db2.gz WXPVFTMQPSCZQE-UHFFFAOYSA-N 2 1 318.852 3.032 20 0 DGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)C1 ZINC000907147236 620141177 /nfs/dbraw/zinc/14/11/77/620141177.db2.gz SLDIUEWZFCLCOR-QGZVFWFLSA-N 2 1 317.477 3.117 20 0 DGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000909927229 620262309 /nfs/dbraw/zinc/26/23/09/620262309.db2.gz NPFOBUWDYOXPGW-QGZVFWFLSA-N 2 1 317.477 3.117 20 0 DGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000924859465 620451564 /nfs/dbraw/zinc/45/15/64/620451564.db2.gz VXFWAXWFAVKLCW-IPQPSQTFSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000924859469 620451591 /nfs/dbraw/zinc/45/15/91/620451591.db2.gz VXFWAXWFAVKLCW-XVLXNVKGSA-N 2 1 302.462 3.369 20 0 DGADMP CC[N@H+]1CCC[C@H]1CNCc1ccccc1N1CCCCC1 ZINC000920957045 620829117 /nfs/dbraw/zinc/82/91/17/620829117.db2.gz ZRYSXJJDEQQJCA-SFHVURJKSA-N 2 1 301.478 3.251 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921531021 620903330 /nfs/dbraw/zinc/90/33/30/620903330.db2.gz AUGRQFXUYUFZHA-YDZRNGNQSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921531841 620903400 /nfs/dbraw/zinc/90/34/00/620903400.db2.gz DGGCLNVJPPAIFC-MRXNPFEDSA-N 2 1 304.482 3.352 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921536519 620904673 /nfs/dbraw/zinc/90/46/73/620904673.db2.gz JHTIYHFENKARIT-XCDZQEORSA-N 2 1 308.510 3.149 20 0 DGADMP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000921560346 620909726 /nfs/dbraw/zinc/90/97/26/620909726.db2.gz AMGFDJFXSCELKG-CVEARBPZSA-N 2 1 316.474 3.340 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921686313 620933595 /nfs/dbraw/zinc/93/35/95/620933595.db2.gz QZJHGQCGGYXBEA-AWEZNQCLSA-N 2 1 315.465 3.009 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2O1 ZINC000921790407 620950404 /nfs/dbraw/zinc/95/04/04/620950404.db2.gz HXJSBWZQFVRJBE-TZUVLKIQSA-N 2 1 300.446 3.115 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000922387818 621032731 /nfs/dbraw/zinc/03/27/31/621032731.db2.gz BBZUMJMKTQIISW-KUIMHTBBSA-N 2 1 320.521 3.048 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000922821148 621105428 /nfs/dbraw/zinc/10/54/28/621105428.db2.gz KVTNBQCMCTUNDQ-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000922821148 621105431 /nfs/dbraw/zinc/10/54/31/621105431.db2.gz KVTNBQCMCTUNDQ-NEWSRXKRSA-N 2 1 304.478 3.180 20 0 DGADMP c1[nH]nc2c1CCC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000857846020 621121396 /nfs/dbraw/zinc/12/13/96/621121396.db2.gz GXAISOAEXCNQTE-GOSISDBHSA-N 2 1 310.445 3.173 20 0 DGADMP c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000857846020 621121400 /nfs/dbraw/zinc/12/14/00/621121400.db2.gz GXAISOAEXCNQTE-GOSISDBHSA-N 2 1 310.445 3.173 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857846763 621121544 /nfs/dbraw/zinc/12/15/44/621121544.db2.gz GSHBOWQAMUIOQB-HLLBOEOZSA-N 2 1 304.482 3.135 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857846763 621121546 /nfs/dbraw/zinc/12/15/46/621121546.db2.gz GSHBOWQAMUIOQB-HLLBOEOZSA-N 2 1 304.482 3.135 20 0 DGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857849464 621121636 /nfs/dbraw/zinc/12/16/36/621121636.db2.gz YBBQOXOKDIOYRY-SFHVURJKSA-N 2 1 312.461 3.419 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857847309 621121857 /nfs/dbraw/zinc/12/18/57/621121857.db2.gz MTYXTKFXNZOFIF-GOSISDBHSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847309 621121863 /nfs/dbraw/zinc/12/18/63/621121863.db2.gz MTYXTKFXNZOFIF-GOSISDBHSA-N 2 1 312.461 3.417 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847309 621121864 /nfs/dbraw/zinc/12/18/64/621121864.db2.gz MTYXTKFXNZOFIF-GOSISDBHSA-N 2 1 312.461 3.417 20 0 DGADMP c1[nH]nc2c1CCC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000857856698 621123609 /nfs/dbraw/zinc/12/36/09/621123609.db2.gz NTZGCFHMOBSRMQ-OFLPRAFFSA-N 2 1 302.466 3.174 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289207 621172389 /nfs/dbraw/zinc/17/23/89/621172389.db2.gz NYKUXYHMUNEQMB-PGUXBMHVSA-N 2 1 317.260 3.086 20 0 DGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923289207 621172391 /nfs/dbraw/zinc/17/23/91/621172391.db2.gz NYKUXYHMUNEQMB-PGUXBMHVSA-N 2 1 317.260 3.086 20 0 DGADMP COCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccs1 ZINC000923302399 621173579 /nfs/dbraw/zinc/17/35/79/621173579.db2.gz RLGZDKTWYRWUDT-MQVJKMGUSA-N 2 1 308.491 3.117 20 0 DGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307675 621173763 /nfs/dbraw/zinc/17/37/63/621173763.db2.gz YXJOOUOYBGRIJM-LJQANCHMSA-N 2 1 322.452 3.164 20 0 DGADMP Cc1ccccc1[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923315824 621174312 /nfs/dbraw/zinc/17/43/12/621174312.db2.gz KZVOEHLBJPRRIQ-AQDPXUSMSA-N 2 1 314.473 3.289 20 0 DGADMP [NH3+]C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000923374399 621179557 /nfs/dbraw/zinc/17/95/57/621179557.db2.gz SWVJEYYJHAMYNE-HOTGVXAUSA-N 2 1 314.832 3.010 20 0 DGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)co1 ZINC000923390236 621180753 /nfs/dbraw/zinc/18/07/53/621180753.db2.gz UUTUKBWNEWUENB-HNNXBMFYSA-N 2 1 305.466 3.184 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(C)ccc1C ZINC000858362140 621181210 /nfs/dbraw/zinc/18/12/10/621181210.db2.gz PFBFEGIPZFTUDK-LMMKCTJWSA-N 2 1 302.462 3.207 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(C)ccc1C ZINC000858362140 621181212 /nfs/dbraw/zinc/18/12/12/621181212.db2.gz PFBFEGIPZFTUDK-LMMKCTJWSA-N 2 1 302.462 3.207 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)c1 ZINC000858361870 621181330 /nfs/dbraw/zinc/18/13/30/621181330.db2.gz FYSSLEXKTWQNCO-IPMKNSEASA-N 2 1 302.462 3.145 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)c1 ZINC000858361870 621181333 /nfs/dbraw/zinc/18/13/33/621181333.db2.gz FYSSLEXKTWQNCO-IPMKNSEASA-N 2 1 302.462 3.145 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC2CCC3(CC3)CC2)C1 ZINC000923393643 621181336 /nfs/dbraw/zinc/18/13/36/621181336.db2.gz VJEFCDJSSKUZLD-KURKYZTESA-N 2 1 306.494 3.318 20 0 DGADMP Fc1cccc(O[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923414150 621182189 /nfs/dbraw/zinc/18/21/89/621182189.db2.gz KLMAOYBULOHAMG-KTWXZFIHSA-N 2 1 318.436 3.200 20 0 DGADMP COc1ccccc1[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000923415119 621182614 /nfs/dbraw/zinc/18/26/14/621182614.db2.gz PZFJWNKWVDYJNO-MRXNPFEDSA-N 2 1 302.462 3.407 20 0 DGADMP c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923423671 621182665 /nfs/dbraw/zinc/18/26/65/621182665.db2.gz MGCKLQUWPQNNSU-KRWDZBQOSA-N 2 1 324.472 3.398 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923422370 621182721 /nfs/dbraw/zinc/18/27/21/621182721.db2.gz QNBSGQQWXSDCLQ-QGZVFWFLSA-N 2 1 320.502 3.317 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923422370 621182723 /nfs/dbraw/zinc/18/27/23/621182723.db2.gz QNBSGQQWXSDCLQ-QGZVFWFLSA-N 2 1 320.502 3.317 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)sn1 ZINC000923424034 621182752 /nfs/dbraw/zinc/18/27/52/621182752.db2.gz FKVXJPPEPWVCFV-BBRMVZONSA-N 2 1 323.506 3.271 20 0 DGADMP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)Cc1ccc2ccccc2c1 ZINC000923428817 621183456 /nfs/dbraw/zinc/18/34/56/621183456.db2.gz KNASLWCECVUCDV-UXHICEINSA-N 2 1 324.468 3.008 20 0 DGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487794 621187038 /nfs/dbraw/zinc/18/70/38/621187038.db2.gz NVFDPPPBOIUIPQ-AWEZNQCLSA-N 2 1 318.852 3.005 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@@H]1C[NH3+] ZINC000923496556 621188000 /nfs/dbraw/zinc/18/80/00/621188000.db2.gz ATJLRCUPXIQUFF-DGCLKSJQSA-N 2 1 321.371 3.037 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000923488713 621188127 /nfs/dbraw/zinc/18/81/27/621188127.db2.gz UGZMSTRKPJXLLF-LBPRGKRZSA-N 2 1 305.809 3.166 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@H]1C[NH3+] ZINC000923503876 621189438 /nfs/dbraw/zinc/18/94/38/621189438.db2.gz MFYFUPYZQKRKFC-JSGCOSHPSA-N 2 1 319.836 3.412 20 0 DGADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506937 621190093 /nfs/dbraw/zinc/19/00/93/621190093.db2.gz ZSHFNPCMFLAZDI-KGLIPLIRSA-N 2 1 318.465 3.110 20 0 DGADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506935 621190170 /nfs/dbraw/zinc/19/01/70/621190170.db2.gz ZSHFNPCMFLAZDI-KBPBESRZSA-N 2 1 318.465 3.110 20 0 DGADMP COc1ccc(CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859212824 621261128 /nfs/dbraw/zinc/26/11/28/621261128.db2.gz BNCUMVMUZCXOFP-UHFFFAOYSA-N 2 1 312.457 3.431 20 0 DGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccccc1 ZINC000859997434 621353474 /nfs/dbraw/zinc/35/34/74/621353474.db2.gz LNXKFTAJAHCWGY-HXUWFJFHSA-N 2 1 312.457 3.304 20 0 DGADMP Cc1c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccnc1F ZINC000862271459 621570275 /nfs/dbraw/zinc/57/02/75/621570275.db2.gz PZGPRWZAWDMYHP-GASCZTMLSA-N 2 1 307.457 3.377 20 0 DGADMP CCCCCCOc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863645752 621693248 /nfs/dbraw/zinc/69/32/48/621693248.db2.gz MRAIIDDPUDDFKC-UHFFFAOYSA-N 2 1 320.477 3.243 20 0 DGADMP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000863984517 621724707 /nfs/dbraw/zinc/72/47/07/621724707.db2.gz VYIXQBHONPXGPC-YQQQUEKLSA-N 2 1 302.462 3.198 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000759766547 621888905 /nfs/dbraw/zinc/88/89/05/621888905.db2.gz GJOUFRYGTSDMHS-GFCCVEGCSA-N 2 1 304.265 3.351 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000759766547 621888911 /nfs/dbraw/zinc/88/89/11/621888911.db2.gz GJOUFRYGTSDMHS-GFCCVEGCSA-N 2 1 304.265 3.351 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865416409 621914860 /nfs/dbraw/zinc/91/48/60/621914860.db2.gz YCEPGAFLIXQPMY-AWEZNQCLSA-N 2 1 317.433 3.135 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865448114 621923830 /nfs/dbraw/zinc/92/38/30/621923830.db2.gz BAQMOEZRBVFKMQ-ZDUSSCGKSA-N 2 1 312.392 3.305 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865505332 621938208 /nfs/dbraw/zinc/93/82/08/621938208.db2.gz FBPZTUQZSXYJCW-CYBMUJFWSA-N 2 1 313.848 3.332 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865505332 621938210 /nfs/dbraw/zinc/93/82/10/621938210.db2.gz FBPZTUQZSXYJCW-CYBMUJFWSA-N 2 1 313.848 3.332 20 0 DGADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1C(C)(C)C ZINC000865637798 621968495 /nfs/dbraw/zinc/96/84/95/621968495.db2.gz MIKGTTKOIKIFOU-UHFFFAOYSA-N 2 1 301.434 3.059 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865641049 621969575 /nfs/dbraw/zinc/96/95/75/621969575.db2.gz RULRJYUCVDKDTO-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804795 621997925 /nfs/dbraw/zinc/99/79/25/621997925.db2.gz HZGGYLJQQIQFLS-SJLPKXTDSA-N 2 1 306.494 3.475 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804795 621997927 /nfs/dbraw/zinc/99/79/27/621997927.db2.gz HZGGYLJQQIQFLS-SJLPKXTDSA-N 2 1 306.494 3.475 20 0 DGADMP c1cncc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)c1 ZINC000865833157 622003160 /nfs/dbraw/zinc/00/31/60/622003160.db2.gz BLXXDOZUDGUODX-UFYCRDLUSA-N 2 1 313.489 3.399 20 0 DGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@H]21 ZINC000866207971 622066995 /nfs/dbraw/zinc/06/69/95/622066995.db2.gz ZBLIJBDMKMEXFS-MLGOLLRUSA-N 2 1 301.821 3.419 20 0 DGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)CC[C@H]21 ZINC000866207971 622066996 /nfs/dbraw/zinc/06/69/96/622066996.db2.gz ZBLIJBDMKMEXFS-MLGOLLRUSA-N 2 1 301.821 3.419 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866251289 622076338 /nfs/dbraw/zinc/07/63/38/622076338.db2.gz RDEKTUPBMWGCSP-HNNXBMFYSA-N 2 1 308.429 3.351 20 0 DGADMP Cc1cccc(C[C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)c1 ZINC000866261459 622078347 /nfs/dbraw/zinc/07/83/47/622078347.db2.gz UXSRYHZTVZHRDF-GOSISDBHSA-N 2 1 316.489 3.161 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866272607 622082179 /nfs/dbraw/zinc/08/21/79/622082179.db2.gz RJTSKYSVZZIGJP-NVXWUHKLSA-N 2 1 303.381 3.033 20 0 DGADMP CC[NH+]1CCC(CC[NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866273245 622082341 /nfs/dbraw/zinc/08/23/41/622082341.db2.gz HRPIODBQWHSZLN-SJLPKXTDSA-N 2 1 306.425 3.170 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(OC)c1OC ZINC000866390662 622109294 /nfs/dbraw/zinc/10/92/94/622109294.db2.gz PXNHJGCXZNIONU-GOEBONIOSA-N 2 1 306.450 3.229 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(OC)c1OC ZINC000866390662 622109296 /nfs/dbraw/zinc/10/92/96/622109296.db2.gz PXNHJGCXZNIONU-GOEBONIOSA-N 2 1 306.450 3.229 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@]12C[C@H]1CCCC2 ZINC000866455831 622121420 /nfs/dbraw/zinc/12/14/20/622121420.db2.gz LYTTWGREYYPVBA-NBMJBFSESA-N 2 1 306.494 3.188 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)[C@@H](C)C1 ZINC000866492634 622126582 /nfs/dbraw/zinc/12/65/82/622126582.db2.gz QVUTXPPCLNTRPT-KBXCAEBGSA-N 2 1 317.452 3.478 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCSCCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000866543141 622135874 /nfs/dbraw/zinc/13/58/74/622135874.db2.gz RSPHGXYUCVTCCX-AVGNSLFASA-N 2 1 310.429 3.134 20 0 DGADMP C[C@H]1C[C@@H](NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000866557064 622137905 /nfs/dbraw/zinc/13/79/05/622137905.db2.gz HHNWLPMQHRKSDS-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000866557064 622137906 /nfs/dbraw/zinc/13/79/06/622137906.db2.gz HHNWLPMQHRKSDS-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H](NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000866557064 622137907 /nfs/dbraw/zinc/13/79/07/622137907.db2.gz HHNWLPMQHRKSDS-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000866557064 622137909 /nfs/dbraw/zinc/13/79/09/622137909.db2.gz HHNWLPMQHRKSDS-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000866557064 622137910 /nfs/dbraw/zinc/13/79/10/622137910.db2.gz HHNWLPMQHRKSDS-YSIASYRMSA-N 2 1 315.505 3.113 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866561170 622138414 /nfs/dbraw/zinc/13/84/14/622138414.db2.gz AZUCBEUKOPMBGF-HTWSVDAQSA-N 2 1 322.493 3.105 20 0 DGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866561170 622138415 /nfs/dbraw/zinc/13/84/15/622138415.db2.gz AZUCBEUKOPMBGF-HTWSVDAQSA-N 2 1 322.493 3.105 20 0 DGADMP CC(C)(C)c1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)o1 ZINC000866572706 622140799 /nfs/dbraw/zinc/14/07/99/622140799.db2.gz BBVFHEMSPLBAIJ-QGZVFWFLSA-N 2 1 320.477 3.310 20 0 DGADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000866635259 622151250 /nfs/dbraw/zinc/15/12/50/622151250.db2.gz OHBDPEVXXGKANV-AXDKOMKPSA-N 2 1 316.489 3.321 20 0 DGADMP COc1ccccc1-c1nc(C[N@@H+](C)C2CCC([NH3+])CC2)co1 ZINC000866660489 622153729 /nfs/dbraw/zinc/15/37/29/622153729.db2.gz GFUTUUHGTSSDRS-UHFFFAOYSA-N 2 1 315.417 3.052 20 0 DGADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666459 622154432 /nfs/dbraw/zinc/15/44/32/622154432.db2.gz RZYRRUBPISSBHA-NWDGAFQWSA-N 2 1 314.260 3.210 20 0 DGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704915 622158073 /nfs/dbraw/zinc/15/80/73/622158073.db2.gz QXLAPAFWJJZYIQ-DNVCBOLYSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866704915 622158075 /nfs/dbraw/zinc/15/80/75/622158075.db2.gz QXLAPAFWJJZYIQ-DNVCBOLYSA-N 2 1 317.477 3.019 20 0 DGADMP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000765449309 622265862 /nfs/dbraw/zinc/26/58/62/622265862.db2.gz ILFSLCGMHHOFLL-HUUCEWRRSA-N 2 1 300.450 3.172 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000765511129 622269494 /nfs/dbraw/zinc/26/94/94/622269494.db2.gz FDJNDDRWHRJKIP-CQSZACIVSA-N 2 1 309.417 3.036 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000765878810 622292676 /nfs/dbraw/zinc/29/26/76/622292676.db2.gz ZZYRNFVTPHDPDM-DOTOQJQBSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000765878810 622292679 /nfs/dbraw/zinc/29/26/79/622292679.db2.gz ZZYRNFVTPHDPDM-DOTOQJQBSA-N 2 1 312.461 3.173 20 0 DGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000765979246 622297931 /nfs/dbraw/zinc/29/79/31/622297931.db2.gz WPHHVTPIFKKAMG-HOCLYGCPSA-N 2 1 308.491 3.351 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000765979247 622298143 /nfs/dbraw/zinc/29/81/43/622298143.db2.gz WPHHVTPIFKKAMG-ZBFHGGJFSA-N 2 1 308.491 3.351 20 0 DGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000766139924 622308601 /nfs/dbraw/zinc/30/86/01/622308601.db2.gz JQBLXZXVUFSMIC-JCGIZDLHSA-N 2 1 320.477 3.254 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1c1ccccc1 ZINC000766330737 622322034 /nfs/dbraw/zinc/32/20/34/622322034.db2.gz XJACRHIOALUGIF-WJFTUGDTSA-N 2 1 314.473 3.022 20 0 DGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1c1ccccc1 ZINC000766330737 622322036 /nfs/dbraw/zinc/32/20/36/622322036.db2.gz XJACRHIOALUGIF-WJFTUGDTSA-N 2 1 314.473 3.022 20 0 DGADMP NC(=[NH+]OCC[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000766691109 622347255 /nfs/dbraw/zinc/34/72/55/622347255.db2.gz JLFRUNCLWHENDW-UHFFFAOYSA-N 2 1 305.466 3.187 20 0 DGADMP COc1ccc(Cl)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000769163721 622504023 /nfs/dbraw/zinc/50/40/23/622504023.db2.gz WMLQHVHHFCRFDK-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000769163721 622504024 /nfs/dbraw/zinc/50/40/24/622504024.db2.gz WMLQHVHHFCRFDK-UHFFFAOYSA-N 2 1 308.853 3.409 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C3CC(C(F)F)C3)CCCC2)CC1 ZINC000769524897 622538111 /nfs/dbraw/zinc/53/81/11/622538111.db2.gz ZXNWQMKJLXBOFH-UHFFFAOYSA-N 2 1 316.436 3.043 20 0 DGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769686652 622549273 /nfs/dbraw/zinc/54/92/73/622549273.db2.gz CZAHAHNBVIBVAP-RWQQGDIJSA-N 2 1 308.510 3.434 20 0 DGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888573094 622618499 /nfs/dbraw/zinc/61/84/99/622618499.db2.gz AQMFUZCQISMQBK-CQSZACIVSA-N 2 1 318.465 3.177 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000771176656 622723467 /nfs/dbraw/zinc/72/34/67/622723467.db2.gz IVSAXOPWDCIUAN-CQSZACIVSA-N 2 1 304.825 3.297 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1F ZINC000872046348 622772347 /nfs/dbraw/zinc/77/23/47/622772347.db2.gz WVDOPVUHULSOPL-QLFBSQMISA-N 2 1 324.440 3.071 20 0 DGADMP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000872087145 622796930 /nfs/dbraw/zinc/79/69/30/622796930.db2.gz GIXDBRXUBSHKFJ-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000872087142 622797490 /nfs/dbraw/zinc/79/74/90/622797490.db2.gz GIXDBRXUBSHKFJ-MSOLQXFVSA-N 2 1 306.494 3.190 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131687 622825479 /nfs/dbraw/zinc/82/54/79/622825479.db2.gz ZORUDXARJQPXOD-IACUBPJLSA-N 2 1 313.367 3.378 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1 ZINC000872131687 622825482 /nfs/dbraw/zinc/82/54/82/622825482.db2.gz ZORUDXARJQPXOD-IACUBPJLSA-N 2 1 313.367 3.378 20 0 DGADMP Cc1ccc2c(C[N@@H+](C)CCCCCC[NH3+])cc(=O)oc2c1 ZINC000872155173 622834428 /nfs/dbraw/zinc/83/44/28/622834428.db2.gz FOOXNKOMNVUMOD-UHFFFAOYSA-N 2 1 302.418 3.052 20 0 DGADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])c(Cl)c1 ZINC000872154951 622835468 /nfs/dbraw/zinc/83/54/68/622835468.db2.gz GRFPPBRUDPXWAP-UHFFFAOYSA-N 2 1 311.857 3.038 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155464 622836938 /nfs/dbraw/zinc/83/69/38/622836938.db2.gz SWGNRCKPYQELGR-UHFFFAOYSA-N 2 1 311.857 3.038 20 0 DGADMP Cc1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)oc1C ZINC000872156129 622837029 /nfs/dbraw/zinc/83/70/29/622837029.db2.gz FDLJTQUEMMBDDY-RDJZCZTQSA-N 2 1 305.466 3.411 20 0 DGADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156284 622837154 /nfs/dbraw/zinc/83/71/54/622837154.db2.gz HHIJXJBNWCFJBL-SQWLQELKSA-N 2 1 320.481 3.313 20 0 DGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155816 622837459 /nfs/dbraw/zinc/83/74/59/622837459.db2.gz ZZVLJMFORXQYHG-ZDUSSCGKSA-N 2 1 311.857 3.118 20 0 DGADMP Cc1noc(C)c1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157369 622837959 /nfs/dbraw/zinc/83/79/59/622837959.db2.gz LYNSGFTWHDYCRM-QAPCUYQASA-N 2 1 305.466 3.411 20 0 DGADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000872156631 622838106 /nfs/dbraw/zinc/83/81/06/622838106.db2.gz BLYMWCLVUKYXDR-KRWDZBQOSA-N 2 1 320.502 3.175 20 0 DGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)C1CCCC1 ZINC000872157308 622838979 /nfs/dbraw/zinc/83/89/79/622838979.db2.gz OJUGTKSJTWDGOX-ZFWWWQNUSA-N 2 1 322.415 3.185 20 0 DGADMP CCCc1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156409 622839071 /nfs/dbraw/zinc/83/90/71/622839071.db2.gz JDKZUMJEPJHCQR-ZBFHGGJFSA-N 2 1 320.481 3.142 20 0 DGADMP CCCc1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156409 622839078 /nfs/dbraw/zinc/83/90/78/622839078.db2.gz JDKZUMJEPJHCQR-ZBFHGGJFSA-N 2 1 320.481 3.142 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000872251506 622866924 /nfs/dbraw/zinc/86/69/24/622866924.db2.gz LCQAXNSUNLKGFI-LJQANCHMSA-N 3 1 321.553 3.399 20 0 DGADMP CC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC(F)(F)C1 ZINC000873197517 623071570 /nfs/dbraw/zinc/07/15/70/623071570.db2.gz CTNDRMADYAJHKL-UHFFFAOYSA-N 2 1 308.416 3.471 20 0 DGADMP CCC[C@]1(COC)CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210029 623075752 /nfs/dbraw/zinc/07/57/52/623075752.db2.gz XOUGJMQMNXYRJU-QGZVFWFLSA-N 2 1 308.491 3.175 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873223717 623081442 /nfs/dbraw/zinc/08/14/42/623081442.db2.gz RGJUWHURLWJGHL-LJQANCHMSA-N 2 1 320.477 3.291 20 0 DGADMP C[C@H](CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000873227635 623082886 /nfs/dbraw/zinc/08/28/86/623082886.db2.gz KFPWMEATMCDSPO-YUELXQCFSA-N 2 1 300.368 3.249 20 0 DGADMP Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])c(-c2ccnn2C)c1 ZINC000873231284 623083740 /nfs/dbraw/zinc/08/37/40/623083740.db2.gz COFXIZKORJAATC-UHFFFAOYSA-N 2 1 314.477 3.346 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000873242120 623088709 /nfs/dbraw/zinc/08/87/09/623088709.db2.gz LXAPKJLPCDKQCV-RBUKOAKNSA-N 3 1 301.478 3.231 20 0 DGADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000873242120 623088715 /nfs/dbraw/zinc/08/87/15/623088715.db2.gz LXAPKJLPCDKQCV-RBUKOAKNSA-N 2 1 301.478 3.231 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283288 623103125 /nfs/dbraw/zinc/10/31/25/623103125.db2.gz PXQFQLPYHQNYPJ-SKDRFNHKSA-N 2 1 321.774 3.232 20 0 DGADMP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000774624527 623167409 /nfs/dbraw/zinc/16/74/09/623167409.db2.gz ZUSWLPHIONUYHC-QZTJIDSGSA-N 2 1 322.880 3.324 20 0 DGADMP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000774624527 623167411 /nfs/dbraw/zinc/16/74/11/623167411.db2.gz ZUSWLPHIONUYHC-QZTJIDSGSA-N 2 1 322.880 3.324 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000774978813 623212979 /nfs/dbraw/zinc/21/29/79/623212979.db2.gz NNEKKEKQNCQDST-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000774978813 623212984 /nfs/dbraw/zinc/21/29/84/623212984.db2.gz NNEKKEKQNCQDST-CVEARBPZSA-N 2 1 323.278 3.474 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775385533 623264134 /nfs/dbraw/zinc/26/41/34/623264134.db2.gz LKNCYRCQIRCORX-WCVJEAGWSA-N 2 1 314.564 3.076 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000776156404 623384626 /nfs/dbraw/zinc/38/46/26/623384626.db2.gz MBAKPKAGMAHPDE-ZCNNSNEGSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000776156404 623384631 /nfs/dbraw/zinc/38/46/31/623384631.db2.gz MBAKPKAGMAHPDE-ZCNNSNEGSA-N 2 1 314.473 3.371 20 0 DGADMP CCC[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000776350884 623415134 /nfs/dbraw/zinc/41/51/34/623415134.db2.gz OYMMOYQEJFFONB-HXUWFJFHSA-N 2 1 317.521 3.188 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777595041 623546332 /nfs/dbraw/zinc/54/63/32/623546332.db2.gz NWUQVAZPBPFXKN-SFHVURJKSA-N 2 1 308.441 3.089 20 0 DGADMP C[N@@H+](Cc1cnc2c(F)cccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000876595812 623655858 /nfs/dbraw/zinc/65/58/58/623655858.db2.gz ADLCMNHBRZDUHC-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[N@H+](Cc1cnc2c(F)cccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000876595812 623655860 /nfs/dbraw/zinc/65/58/60/623655860.db2.gz ADLCMNHBRZDUHC-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cnc2c(F)cccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000876595812 623655864 /nfs/dbraw/zinc/65/58/64/623655864.db2.gz ADLCMNHBRZDUHC-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP C[NH+](Cc1cnc2c(F)cccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000876595812 623655866 /nfs/dbraw/zinc/65/58/66/623655866.db2.gz ADLCMNHBRZDUHC-AWEZNQCLSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000876812753 623713832 /nfs/dbraw/zinc/71/38/32/623713832.db2.gz YHOOTAYUIHOSKI-BPQIPLTHSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000876812753 623713835 /nfs/dbraw/zinc/71/38/35/623713835.db2.gz YHOOTAYUIHOSKI-BPQIPLTHSA-N 2 1 322.880 3.332 20 0 DGADMP Cc1cc(C)cc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000876812368 623714055 /nfs/dbraw/zinc/71/40/55/623714055.db2.gz TTXQVRRJOVZMLN-XUVXKRRUSA-N 2 1 316.489 3.029 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000876899734 623739136 /nfs/dbraw/zinc/73/91/36/623739136.db2.gz PTJUYTIPIMKOIJ-JLTOFOAXSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](CC)[NH+]1CCCC1 ZINC000876926900 623746107 /nfs/dbraw/zinc/74/61/07/623746107.db2.gz KBZULIRNECJIAH-MDOVXXIYSA-N 2 1 304.415 3.173 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000876938901 623749912 /nfs/dbraw/zinc/74/99/12/623749912.db2.gz BIGCJJPYXJGFHS-NWDGAFQWSA-N 2 1 305.809 3.198 20 0 DGADMP Clc1nccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000876938901 623749920 /nfs/dbraw/zinc/74/99/20/623749920.db2.gz BIGCJJPYXJGFHS-NWDGAFQWSA-N 2 1 305.809 3.198 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000876988836 623761431 /nfs/dbraw/zinc/76/14/31/623761431.db2.gz NIHVZGAPWQQTAX-SXGZJXTBSA-N 2 1 304.415 3.031 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000877015469 623766382 /nfs/dbraw/zinc/76/63/82/623766382.db2.gz QVAQLZXILLOJKS-JLTOFOAXSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000877015469 623766384 /nfs/dbraw/zinc/76/63/84/623766384.db2.gz QVAQLZXILLOJKS-JLTOFOAXSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000877020506 623768326 /nfs/dbraw/zinc/76/83/26/623768326.db2.gz WFZPVJFRRUZALH-XFQAVAEZSA-N 2 1 318.442 3.419 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877026908 623769059 /nfs/dbraw/zinc/76/90/59/623769059.db2.gz HUMCIMGSUQBUOF-LLVKDONJSA-N 2 1 309.866 3.381 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000877067622 623782540 /nfs/dbraw/zinc/78/25/40/623782540.db2.gz HJDLOGIIGBWXJW-SJJYUQKOSA-N 2 1 316.426 3.314 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000877067622 623782542 /nfs/dbraw/zinc/78/25/42/623782542.db2.gz HJDLOGIIGBWXJW-SJJYUQKOSA-N 2 1 316.426 3.314 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877073541 623784414 /nfs/dbraw/zinc/78/44/14/623784414.db2.gz NFTCOKZLLPFMCK-NWDGAFQWSA-N 2 1 307.825 3.444 20 0 DGADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877142571 623804713 /nfs/dbraw/zinc/80/47/13/623804713.db2.gz SXDIPVSXWNYEEB-AZUAARDMSA-N 2 1 315.505 3.286 20 0 DGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000877144983 623806654 /nfs/dbraw/zinc/80/66/54/623806654.db2.gz BAYJLUDXPUVRBU-UHFFFAOYSA-N 2 1 318.852 3.260 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000877144983 623806662 /nfs/dbraw/zinc/80/66/62/623806662.db2.gz BAYJLUDXPUVRBU-UHFFFAOYSA-N 2 1 318.852 3.260 20 0 DGADMP C[C@@]1(C[NH2+]CCC[C@H]2CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496764 623912419 /nfs/dbraw/zinc/91/24/19/623912419.db2.gz YDZVBKFLMXBTPD-OALUTQOASA-N 2 1 302.462 3.057 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4nc(Cl)ccc4s3)C2)C1 ZINC000877545975 623935519 /nfs/dbraw/zinc/93/55/19/623935519.db2.gz NISJGNYTJYVQIL-INIZCTEOSA-N 2 1 321.877 3.477 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4nc(Cl)ccc4s3)C2)C1 ZINC000877545975 623935538 /nfs/dbraw/zinc/93/55/38/623935538.db2.gz NISJGNYTJYVQIL-INIZCTEOSA-N 2 1 321.877 3.477 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4nc(Cl)ccc4s3)C2)C1 ZINC000877545975 623935542 /nfs/dbraw/zinc/93/55/42/623935542.db2.gz NISJGNYTJYVQIL-INIZCTEOSA-N 2 1 321.877 3.477 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC=CO1 ZINC000780566594 623953068 /nfs/dbraw/zinc/95/30/68/623953068.db2.gz MZMJLHAULISYMA-GOSISDBHSA-N 2 1 302.462 3.427 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739551 624012620 /nfs/dbraw/zinc/01/26/20/624012620.db2.gz HFAHRVWXBCBUFU-MJGOQNOKSA-N 2 1 300.446 3.001 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739551 624012626 /nfs/dbraw/zinc/01/26/26/624012626.db2.gz HFAHRVWXBCBUFU-MJGOQNOKSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739551 624012629 /nfs/dbraw/zinc/01/26/29/624012629.db2.gz HFAHRVWXBCBUFU-MJGOQNOKSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CC[C@@H]21 ZINC000877739551 624012635 /nfs/dbraw/zinc/01/26/35/624012635.db2.gz HFAHRVWXBCBUFU-MJGOQNOKSA-N 2 1 300.446 3.001 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739552 624012836 /nfs/dbraw/zinc/01/28/36/624012836.db2.gz HFAHRVWXBCBUFU-PKOBYXMFSA-N 2 1 300.446 3.001 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739552 624012840 /nfs/dbraw/zinc/01/28/40/624012840.db2.gz HFAHRVWXBCBUFU-PKOBYXMFSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739552 624012842 /nfs/dbraw/zinc/01/28/42/624012842.db2.gz HFAHRVWXBCBUFU-PKOBYXMFSA-N 2 1 300.446 3.001 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CC[C@H]21 ZINC000877739552 624012844 /nfs/dbraw/zinc/01/28/44/624012844.db2.gz HFAHRVWXBCBUFU-PKOBYXMFSA-N 2 1 300.446 3.001 20 0 DGADMP CC(C)C[N@H+](Cc1cnc(C2CC2)nc1)CC1CC[NH+](C)CC1 ZINC000877767544 624028812 /nfs/dbraw/zinc/02/88/12/624028812.db2.gz MOWCLZPSICPQNU-UHFFFAOYSA-N 2 1 316.493 3.154 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@@H]1CCSC1)C2 ZINC000877816109 624048034 /nfs/dbraw/zinc/04/80/34/624048034.db2.gz DAUBGSDIAJXVSI-OTWHNJEPSA-N 2 1 316.514 3.193 20 0 DGADMP C[C@]12C[NH+](C[C@@H]3CCSC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877816109 624048039 /nfs/dbraw/zinc/04/80/39/624048039.db2.gz DAUBGSDIAJXVSI-OTWHNJEPSA-N 2 1 316.514 3.193 20 0 DGADMP C[C@]12C[NH+](C[C@@H]3CCSC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877816109 624048044 /nfs/dbraw/zinc/04/80/44/624048044.db2.gz DAUBGSDIAJXVSI-OTWHNJEPSA-N 2 1 316.514 3.193 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)CC1 ZINC000878018037 624136739 /nfs/dbraw/zinc/13/67/39/624136739.db2.gz QMODZONRNWTEOG-ZGXWSNOMSA-N 2 1 320.521 3.388 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878157137 624191956 /nfs/dbraw/zinc/19/19/56/624191956.db2.gz VYULLRDDKMODGL-HOTGVXAUSA-N 2 1 300.437 3.476 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878157136 624192065 /nfs/dbraw/zinc/19/20/65/624192065.db2.gz VYULLRDDKMODGL-CVEARBPZSA-N 2 1 300.437 3.476 20 0 DGADMP CO[C@H]1C[C@@H](C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000878194275 624210428 /nfs/dbraw/zinc/21/04/28/624210428.db2.gz FHPRRKXEOCMVNL-QRQLOZEOSA-N 2 1 308.510 3.388 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)CCC2 ZINC000782183995 624216198 /nfs/dbraw/zinc/21/61/98/624216198.db2.gz PMEDZVPXFZLWDM-HNNXBMFYSA-N 2 1 307.507 3.357 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCSC(C)(C)C ZINC000878288039 624236811 /nfs/dbraw/zinc/23/68/11/624236811.db2.gz MRNIFQKZFWKQGJ-BZUAXINKSA-N 2 1 314.539 3.092 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878287502 624237001 /nfs/dbraw/zinc/23/70/01/624237001.db2.gz FGIWJCDQSXPSPF-RTBURBONSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878287502 624237005 /nfs/dbraw/zinc/23/70/05/624237005.db2.gz FGIWJCDQSXPSPF-RTBURBONSA-N 2 1 313.445 3.434 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CC[C@H](c3ccccc3)O1)CC2 ZINC000878340268 624248865 /nfs/dbraw/zinc/24/88/65/624248865.db2.gz UDIQYLYMCWRDFP-RBUKOAKNSA-N 2 1 314.473 3.467 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CC[C@H](c3ccccc3)O1)CC2 ZINC000878340268 624248867 /nfs/dbraw/zinc/24/88/67/624248867.db2.gz UDIQYLYMCWRDFP-RBUKOAKNSA-N 2 1 314.473 3.467 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CC[C@@H](c3ccccc3)O1)CC2 ZINC000878340266 624249149 /nfs/dbraw/zinc/24/91/49/624249149.db2.gz UDIQYLYMCWRDFP-MOPGFXCFSA-N 2 1 314.473 3.467 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CC[C@@H](c3ccccc3)O1)CC2 ZINC000878340266 624249151 /nfs/dbraw/zinc/24/91/51/624249151.db2.gz UDIQYLYMCWRDFP-MOPGFXCFSA-N 2 1 314.473 3.467 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782762589 624280787 /nfs/dbraw/zinc/28/07/87/624280787.db2.gz SICFUKVJDPYRKT-LPHOPBHVSA-N 2 1 302.462 3.086 20 0 DGADMP CN(Cc1cc(C(F)(F)F)co1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608265 624321339 /nfs/dbraw/zinc/32/13/39/624321339.db2.gz NFLDMOJSSGASFD-FUNVUKJBSA-N 2 1 302.340 3.355 20 0 DGADMP C[C@@]1(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000878747041 624352195 /nfs/dbraw/zinc/35/21/95/624352195.db2.gz GPYKCOMGNNAQGJ-AWEZNQCLSA-N 2 1 314.260 3.178 20 0 DGADMP CC(C)c1noc([C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879248845 624463477 /nfs/dbraw/zinc/46/34/77/624463477.db2.gz WEMMCWIZPUDHEU-AWEZNQCLSA-N 2 1 306.454 3.062 20 0 DGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000879287223 624484480 /nfs/dbraw/zinc/48/44/80/624484480.db2.gz MUYAPVTZTZPEAO-GOSISDBHSA-N 2 1 304.478 3.143 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc2)n1 ZINC000879578768 624597378 /nfs/dbraw/zinc/59/73/78/624597378.db2.gz WCKAEAHVCDAUDA-UYAOXDASSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cc2)n1 ZINC000879578768 624597382 /nfs/dbraw/zinc/59/73/82/624597382.db2.gz WCKAEAHVCDAUDA-UYAOXDASSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578768 624597385 /nfs/dbraw/zinc/59/73/85/624597385.db2.gz WCKAEAHVCDAUDA-UYAOXDASSA-N 2 1 324.472 3.015 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)cc2)n1 ZINC000879578768 624597391 /nfs/dbraw/zinc/59/73/91/624597391.db2.gz WCKAEAHVCDAUDA-UYAOXDASSA-N 2 1 324.472 3.015 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579195 624598177 /nfs/dbraw/zinc/59/81/77/624598177.db2.gz JQTXTRKUCKEPEI-IYWMVGAKSA-N 2 1 314.473 3.323 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579195 624598180 /nfs/dbraw/zinc/59/81/80/624598180.db2.gz JQTXTRKUCKEPEI-IYWMVGAKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579195 624598182 /nfs/dbraw/zinc/59/81/82/624598182.db2.gz JQTXTRKUCKEPEI-IYWMVGAKSA-N 2 1 314.473 3.323 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000879579195 624598189 /nfs/dbraw/zinc/59/81/89/624598189.db2.gz JQTXTRKUCKEPEI-IYWMVGAKSA-N 2 1 314.473 3.323 20 0 DGADMP CC[C@H](OCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580555 624599304 /nfs/dbraw/zinc/59/93/04/624599304.db2.gz UCMVBONCPZMKJU-QRVBRYPASA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879580555 624599310 /nfs/dbraw/zinc/59/93/10/624599310.db2.gz UCMVBONCPZMKJU-QRVBRYPASA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580555 624599313 /nfs/dbraw/zinc/59/93/13/624599313.db2.gz UCMVBONCPZMKJU-QRVBRYPASA-N 2 1 302.462 3.180 20 0 DGADMP CC[C@H](OCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580555 624599319 /nfs/dbraw/zinc/59/93/19/624599319.db2.gz UCMVBONCPZMKJU-QRVBRYPASA-N 2 1 302.462 3.180 20 0 DGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879677290 624636742 /nfs/dbraw/zinc/63/67/42/624636742.db2.gz MZALGUPIUIJGBN-LJQANCHMSA-N 2 1 312.461 3.139 20 0 DGADMP CC(C)C[N@H+](Cc1nnc(C(C)(C)C)o1)CC1CC[NH+](C)CC1 ZINC000879701780 624643914 /nfs/dbraw/zinc/64/39/14/624643914.db2.gz AHDQOTUDNWTODC-UHFFFAOYSA-N 2 1 322.497 3.167 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC[C@H]1CCCO1)C2 ZINC000880022763 624758640 /nfs/dbraw/zinc/75/86/40/624758640.db2.gz YEFAXDKAVJQHNM-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CC[C@H]3CCCO3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022763 624758643 /nfs/dbraw/zinc/75/86/43/624758643.db2.gz YEFAXDKAVJQHNM-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@]12C[NH+](CC[C@H]3CCCO3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022763 624758648 /nfs/dbraw/zinc/75/86/48/624758648.db2.gz YEFAXDKAVJQHNM-XUVXKRRUSA-N 2 1 314.473 3.009 20 0 DGADMP C[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880103633 624790170 /nfs/dbraw/zinc/79/01/70/624790170.db2.gz VIZKNGBKQFFPLC-WCQYABFASA-N 2 1 301.356 3.235 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880103633 624790176 /nfs/dbraw/zinc/79/01/76/624790176.db2.gz VIZKNGBKQFFPLC-WCQYABFASA-N 2 1 301.356 3.235 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)nc1 ZINC000880103633 624790180 /nfs/dbraw/zinc/79/01/80/624790180.db2.gz VIZKNGBKQFFPLC-WCQYABFASA-N 2 1 301.356 3.235 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000880253749 624869524 /nfs/dbraw/zinc/86/95/24/624869524.db2.gz AJGHKBMKUAPVCC-UHFFFAOYSA-N 2 1 303.450 3.018 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000880259703 624874953 /nfs/dbraw/zinc/87/49/53/624874953.db2.gz ZLEHFEMBNVIQAH-OCCSQVGLSA-N 2 1 314.260 3.176 20 0 DGADMP FC[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000880299038 624902559 /nfs/dbraw/zinc/90/25/59/624902559.db2.gz NIFPMRZFYVOOTM-HOTGVXAUSA-N 2 1 308.416 3.269 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000788487846 625195600 /nfs/dbraw/zinc/19/56/00/625195600.db2.gz JAHJFQWIPJLAMT-INIZCTEOSA-N 2 1 313.445 3.349 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000788816128 625274249 /nfs/dbraw/zinc/27/42/49/625274249.db2.gz QAMKNAOYIXMFAQ-DFQSSKMNSA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882880466 625841621 /nfs/dbraw/zinc/84/16/21/625841621.db2.gz UDVQYMXISNZVGP-INIZCTEOSA-N 2 1 302.462 3.113 20 0 DGADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000882951434 625872269 /nfs/dbraw/zinc/87/22/69/625872269.db2.gz DTRBFPYVPXMVRD-UHFFFAOYSA-N 2 1 315.461 3.095 20 0 DGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883189223 625962559 /nfs/dbraw/zinc/96/25/59/625962559.db2.gz BMZXWVLVCVHZHE-NXHRZFHOSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccccc1[C@H](O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000796419720 626048500 /nfs/dbraw/zinc/04/85/00/626048500.db2.gz TXTFSBIKBVJVNQ-UYAOXDASSA-N 2 1 316.489 3.225 20 0 DGADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592724 626156965 /nfs/dbraw/zinc/15/69/65/626156965.db2.gz AJQZLVUIYBRXGL-WBVHZDCISA-N 2 1 319.880 3.492 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956659 626262657 /nfs/dbraw/zinc/26/26/57/626262657.db2.gz IPZURISWFMXXMD-UHFFFAOYSA-N 2 1 302.462 3.311 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CCCOc3ccccc3)C2)CC1 ZINC000799178637 626277722 /nfs/dbraw/zinc/27/77/22/626277722.db2.gz ZWYDBRKRMQUZGX-UHFFFAOYSA-N 2 1 302.462 3.263 20 0 DGADMP CC[N@H+]1CC[C@H](NCc2cc(C3CC3)ccc2OC)[C@@H](C)C1 ZINC000883264533 626629433 /nfs/dbraw/zinc/62/94/33/626629433.db2.gz DIAXJCCKMPLFRR-KSSFIOAISA-N 2 1 302.462 3.393 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)ccc2OC)[C@@H](C)C1 ZINC000883264533 626629437 /nfs/dbraw/zinc/62/94/37/626629437.db2.gz DIAXJCCKMPLFRR-KSSFIOAISA-N 2 1 302.462 3.393 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000883271196 626630917 /nfs/dbraw/zinc/63/09/17/626630917.db2.gz HVHJOUWQKJETBR-CCQCEHTISA-N 2 1 314.473 3.197 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416307 626677543 /nfs/dbraw/zinc/67/75/43/626677543.db2.gz RIGWHVXWUPMHED-WZGPROSRSA-N 2 1 302.462 3.499 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416307 626677546 /nfs/dbraw/zinc/67/75/46/626677546.db2.gz RIGWHVXWUPMHED-WZGPROSRSA-N 2 1 302.462 3.499 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883417709 626678072 /nfs/dbraw/zinc/67/80/72/626678072.db2.gz KROHHWYIQFPMHU-AITUJVMLSA-N 2 1 302.462 3.356 20 0 DGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429507 626679945 /nfs/dbraw/zinc/67/99/45/626679945.db2.gz XMKSCOLMYYVDKC-WCIQWLHISA-N 2 1 314.473 3.228 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000883433966 626681421 /nfs/dbraw/zinc/68/14/21/626681421.db2.gz CZHGMZHSFIHVTM-FPCVCCKLSA-N 2 1 316.436 3.030 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883434830 626681559 /nfs/dbraw/zinc/68/15/59/626681559.db2.gz BWQWPQNWXUIUFJ-KNCVXQGMSA-N 2 1 300.446 3.110 20 0 DGADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883434830 626681560 /nfs/dbraw/zinc/68/15/60/626681560.db2.gz BWQWPQNWXUIUFJ-KNCVXQGMSA-N 2 1 300.446 3.110 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000883437628 626682064 /nfs/dbraw/zinc/68/20/64/626682064.db2.gz WZFGFLVGMOXMDF-YNEHKIRRSA-N 2 1 322.415 3.039 20 0 DGADMP C=C/C=C/CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000883436401 626682237 /nfs/dbraw/zinc/68/22/37/626682237.db2.gz RSNWSTGKLYRYRZ-ONEGZZNKSA-N 2 1 314.477 3.188 20 0 DGADMP CCC1([NH+]2CCCCC2)CCN(CCC2CC[NH2+]CC2)CC1 ZINC000883447677 626684000 /nfs/dbraw/zinc/68/40/00/626684000.db2.gz IKFOIRGAUOLAMN-UHFFFAOYSA-N 2 1 307.526 3.107 20 0 DGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883461716 626686273 /nfs/dbraw/zinc/68/62/73/626686273.db2.gz BLQXOHWGJPCLQD-LJQANCHMSA-N 2 1 308.510 3.295 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000103715898 626753170 /nfs/dbraw/zinc/75/31/70/626753170.db2.gz BVPFBVLOZHYWNC-HNNXBMFYSA-N 2 1 320.477 3.099 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000103715898 626753175 /nfs/dbraw/zinc/75/31/75/626753175.db2.gz BVPFBVLOZHYWNC-HNNXBMFYSA-N 2 1 320.477 3.099 20 0 DGADMP CC(C)C(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000808754145 626858332 /nfs/dbraw/zinc/85/83/32/626858332.db2.gz KVKAPNMPCUJKGG-UHFFFAOYSA-N 2 1 303.450 3.014 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)cc1 ZINC000809737308 626943392 /nfs/dbraw/zinc/94/33/92/626943392.db2.gz FVEKZWLCPRHVGE-UHFFFAOYSA-N 2 1 312.413 3.109 20 0 DGADMP CC[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809739000 626943915 /nfs/dbraw/zinc/94/39/15/626943915.db2.gz SVTJCFLBIVFEKO-OALUTQOASA-N 2 1 304.478 3.385 20 0 DGADMP COCc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000809738597 626944188 /nfs/dbraw/zinc/94/41/88/626944188.db2.gz ATKLUNMWUZFEID-UHFFFAOYSA-N 2 1 302.418 3.120 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cn3ccccc3n2)cc1 ZINC000809738849 626944430 /nfs/dbraw/zinc/94/44/30/626944430.db2.gz MOVBYPUULJKLAA-UHFFFAOYSA-N 2 1 308.429 3.028 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn3ccccc3n2)cc1 ZINC000809738849 626944433 /nfs/dbraw/zinc/94/44/33/626944433.db2.gz MOVBYPUULJKLAA-UHFFFAOYSA-N 2 1 308.429 3.028 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(Cl)n1 ZINC000809755193 626947508 /nfs/dbraw/zinc/94/75/08/626947508.db2.gz HVELJHKTHCOMKW-INIZCTEOSA-N 2 1 307.869 3.207 20 0 DGADMP COc1cccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)oc21 ZINC000809766057 626949224 /nfs/dbraw/zinc/94/92/24/626949224.db2.gz TXYCJQASLUFDNX-CJNGLKHVSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)oc21 ZINC000809766057 626949226 /nfs/dbraw/zinc/94/92/26/626949226.db2.gz TXYCJQASLUFDNX-CJNGLKHVSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)oc21 ZINC000809766057 626949228 /nfs/dbraw/zinc/94/92/28/626949228.db2.gz TXYCJQASLUFDNX-CJNGLKHVSA-N 2 1 302.418 3.213 20 0 DGADMP COc1cccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)oc21 ZINC000809766057 626949229 /nfs/dbraw/zinc/94/92/29/626949229.db2.gz TXYCJQASLUFDNX-CJNGLKHVSA-N 2 1 302.418 3.213 20 0 DGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCCCCCO)CC1 ZINC000809995702 626967145 /nfs/dbraw/zinc/96/71/45/626967145.db2.gz VODOONBXLCIKAX-UHFFFAOYSA-N 2 1 306.450 3.176 20 0 DGADMP Cc1n[nH]c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1C ZINC000885948989 627067267 /nfs/dbraw/zinc/06/72/67/627067267.db2.gz LDIOWBZXSITSPG-UHFFFAOYSA-N 2 1 300.450 3.157 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885960972 627070614 /nfs/dbraw/zinc/07/06/14/627070614.db2.gz RWNDCANQCBEOPX-OALUTQOASA-N 2 1 308.510 3.388 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1OCC(F)F ZINC000885969343 627073179 /nfs/dbraw/zinc/07/31/79/627073179.db2.gz PECCBNSHXIHZBO-CYBMUJFWSA-N 2 1 323.387 3.261 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000886059939 627096619 /nfs/dbraw/zinc/09/66/19/627096619.db2.gz PLAISBPQLWUWHP-AEFFLSMTSA-N 2 1 312.461 3.027 20 0 DGADMP Cc1n[nH]c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000886059939 627096621 /nfs/dbraw/zinc/09/66/21/627096621.db2.gz PLAISBPQLWUWHP-AEFFLSMTSA-N 2 1 312.461 3.027 20 0 DGADMP C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067214 627097982 /nfs/dbraw/zinc/09/79/82/627097982.db2.gz IMHDQHSNYPMFBM-UYAOXDASSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000886067214 627097985 /nfs/dbraw/zinc/09/79/85/627097985.db2.gz IMHDQHSNYPMFBM-UYAOXDASSA-N 2 1 314.473 3.009 20 0 DGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000886170373 627117211 /nfs/dbraw/zinc/11/72/11/627117211.db2.gz XJBRHEHUTBRZBI-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000886170373 627117212 /nfs/dbraw/zinc/11/72/12/627117212.db2.gz XJBRHEHUTBRZBI-CQSZACIVSA-N 2 1 312.404 3.152 20 0 DGADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3cncn3c2)CC1 ZINC000886624115 627175320 /nfs/dbraw/zinc/17/53/20/627175320.db2.gz XWJBOASPDJYIJA-UHFFFAOYSA-N 2 1 312.461 3.221 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccnn1C ZINC000886648541 627180077 /nfs/dbraw/zinc/18/00/77/627180077.db2.gz XJRAPKQQCWTHNB-KANFNMMFSA-N 2 1 324.472 3.124 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CC[C@H](C4CC4)O3)CC2)[nH+]c1C ZINC000886659508 627182427 /nfs/dbraw/zinc/18/24/27/627182427.db2.gz OJZKHTUDLFBHPT-IAGOWNOFSA-N 2 1 303.450 3.164 20 0 DGADMP Cc1ncsc1CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661305 627182788 /nfs/dbraw/zinc/18/27/88/627182788.db2.gz RAQVKEMYLCZJRT-UHFFFAOYSA-N 2 1 304.463 3.214 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000886694070 627192775 /nfs/dbraw/zinc/19/27/75/627192775.db2.gz NNNXJWYDRYGVFG-MRXNPFEDSA-N 2 1 318.490 3.301 20 0 DGADMP Cc1csc(C[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000886694070 627192776 /nfs/dbraw/zinc/19/27/76/627192776.db2.gz NNNXJWYDRYGVFG-MRXNPFEDSA-N 2 1 318.490 3.301 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000886710982 627195931 /nfs/dbraw/zinc/19/59/31/627195931.db2.gz KVSFQFKRJNLRJF-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000886711515 627196018 /nfs/dbraw/zinc/19/60/18/627196018.db2.gz XMAJYXBVKRRYTG-UHFFFAOYSA-N 2 1 301.478 3.203 20 0 DGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000886858103 627211482 /nfs/dbraw/zinc/21/14/82/627211482.db2.gz MHKQMFPRJMKDJW-KRWDZBQOSA-N 2 1 321.534 3.486 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2Cc3ccccc3C2)cn1 ZINC000811475743 627278924 /nfs/dbraw/zinc/27/89/24/627278924.db2.gz SLUHHWQWVCKNPC-UHFFFAOYSA-N 2 1 318.424 3.080 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851433 627429677 /nfs/dbraw/zinc/42/96/77/627429677.db2.gz RRSVQSFJKJJQNT-QAPCUYQASA-N 2 1 301.434 3.026 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851433 627429678 /nfs/dbraw/zinc/42/96/78/627429678.db2.gz RRSVQSFJKJJQNT-QAPCUYQASA-N 2 1 301.434 3.026 20 0 DGADMP Cn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000813789799 627511959 /nfs/dbraw/zinc/51/19/59/627511959.db2.gz DDSUUGRCCVIEOH-IHWFROFDSA-N 2 1 324.472 3.095 20 0 DGADMP Cn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000813789799 627511962 /nfs/dbraw/zinc/51/19/62/627511962.db2.gz DDSUUGRCCVIEOH-IHWFROFDSA-N 2 1 324.472 3.095 20 0 DGADMP COC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173782 627546228 /nfs/dbraw/zinc/54/62/28/627546228.db2.gz XHNXAEHMNJFXCU-OHSMVPPVSA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178258 627547420 /nfs/dbraw/zinc/54/74/20/627547420.db2.gz JOPVZBBJKSWSSN-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178258 627547422 /nfs/dbraw/zinc/54/74/22/627547422.db2.gz JOPVZBBJKSWSSN-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178258 627547424 /nfs/dbraw/zinc/54/74/24/627547424.db2.gz JOPVZBBJKSWSSN-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000814178258 627547425 /nfs/dbraw/zinc/54/74/25/627547425.db2.gz JOPVZBBJKSWSSN-HXUWFJFHSA-N 2 1 313.489 3.205 20 0 DGADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000815052498 627619945 /nfs/dbraw/zinc/61/99/45/627619945.db2.gz QKSHBDCEMGLNPW-UWJYYQICSA-N 2 1 324.468 3.291 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000815057208 627620758 /nfs/dbraw/zinc/62/07/58/627620758.db2.gz OWCSGFHIODTNAQ-MDYRTPRTSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)CC[N@H+]1C ZINC000815057208 627620759 /nfs/dbraw/zinc/62/07/59/627620759.db2.gz OWCSGFHIODTNAQ-MDYRTPRTSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057208 627620761 /nfs/dbraw/zinc/62/07/61/627620761.db2.gz OWCSGFHIODTNAQ-MDYRTPRTSA-N 2 1 312.457 3.288 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)CC[NH+]1C ZINC000815057208 627620763 /nfs/dbraw/zinc/62/07/63/627620763.db2.gz OWCSGFHIODTNAQ-MDYRTPRTSA-N 2 1 312.457 3.288 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C)c2Cl)c1 ZINC000815119186 627629779 /nfs/dbraw/zinc/62/97/79/627629779.db2.gz QSDPORWGSODSJV-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C)c2Cl)c1 ZINC000815119186 627629782 /nfs/dbraw/zinc/62/97/82/627629782.db2.gz QSDPORWGSODSJV-UHFFFAOYSA-N 2 1 320.868 3.204 20 0 DGADMP C[C@@H]1CC2(CC([NH2+]CCC[N@@H+](C)Cc3ccccc3)C2)CO1 ZINC000924580255 627651928 /nfs/dbraw/zinc/65/19/28/627651928.db2.gz QSYQOXAMKRXTSF-IPJUCJBFSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924591934 627654180 /nfs/dbraw/zinc/65/41/80/627654180.db2.gz MSXVZZWQDNSWNU-CQSZACIVSA-N 2 1 302.462 3.191 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000924594440 627654222 /nfs/dbraw/zinc/65/42/22/627654222.db2.gz HFILGRYVTNSGPZ-UHFFFAOYSA-N 2 1 317.477 3.245 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924604104 627655451 /nfs/dbraw/zinc/65/54/51/627655451.db2.gz YWYPPACGKZSMTM-KRWDZBQOSA-N 2 1 309.457 3.051 20 0 DGADMP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924604104 627655457 /nfs/dbraw/zinc/65/54/57/627655457.db2.gz YWYPPACGKZSMTM-KRWDZBQOSA-N 2 1 309.457 3.051 20 0 DGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924603180 627655796 /nfs/dbraw/zinc/65/57/96/627655796.db2.gz QBURHZIAYFBBNW-UXHICEINSA-N 2 1 316.489 3.086 20 0 DGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924603180 627655799 /nfs/dbraw/zinc/65/57/99/627655799.db2.gz QBURHZIAYFBBNW-UXHICEINSA-N 2 1 316.489 3.086 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000924684348 627667195 /nfs/dbraw/zinc/66/71/95/627667195.db2.gz DZRMMGRLDHCXGV-QYZOEREBSA-N 2 1 307.526 3.105 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924685239 627667216 /nfs/dbraw/zinc/66/72/16/627667216.db2.gz HHYJDXVAEFROMW-QRQLOZEOSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924684894 627667378 /nfs/dbraw/zinc/66/73/78/627667378.db2.gz HBRXHNXHVKNQNC-BHIYHBOVSA-N 2 1 308.510 3.293 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924689399 627667676 /nfs/dbraw/zinc/66/76/76/627667676.db2.gz XITSITGIZMKZPX-MUYFXNHWSA-N 2 1 308.510 3.436 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000924689049 627667805 /nfs/dbraw/zinc/66/78/05/627667805.db2.gz WHZBBUSQNGOZBN-CVEARBPZSA-N 2 1 307.486 3.022 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCc2c1nccc2Cl)C[NH+]1CCCCC1 ZINC000924720197 627673309 /nfs/dbraw/zinc/67/33/09/627673309.db2.gz GULXFRXMNNUGQR-XJKSGUPXSA-N 2 1 307.869 3.434 20 0 DGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cnn(C2CCC2)c1 ZINC000924722289 627673530 /nfs/dbraw/zinc/67/35/30/627673530.db2.gz RDBVQNKXSIECPD-JKSUJKDBSA-N 2 1 304.482 3.381 20 0 DGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924750229 627676298 /nfs/dbraw/zinc/67/62/98/627676298.db2.gz DJUSBXHSLVOEJW-NXHRZFHOSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924750229 627676299 /nfs/dbraw/zinc/67/62/99/627676299.db2.gz DJUSBXHSLVOEJW-NXHRZFHOSA-N 2 1 308.510 3.292 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924754553 627676584 /nfs/dbraw/zinc/67/65/84/627676584.db2.gz UCYMUHHCFFLJDN-JKSUJKDBSA-N 2 1 304.478 3.297 20 0 DGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1csc2ccccc21 ZINC000924754481 627676681 /nfs/dbraw/zinc/67/66/81/627676681.db2.gz IMNUEEHDDIBPSZ-AWEZNQCLSA-N 2 1 318.486 3.399 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)c1 ZINC000924828342 627684658 /nfs/dbraw/zinc/68/46/58/627684658.db2.gz IMVPQWRDGRFJDG-HOTGVXAUSA-N 2 1 304.478 3.287 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000924872073 627689247 /nfs/dbraw/zinc/68/92/47/627689247.db2.gz HLFBQZPXTPSSKP-LJQANCHMSA-N 2 1 306.413 3.274 20 0 DGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000815621387 627691619 /nfs/dbraw/zinc/69/16/19/627691619.db2.gz SMDAMYIDSYHXOT-HZPDHXFCSA-N 2 1 308.441 3.286 20 0 DGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccn1 ZINC000924948705 627696250 /nfs/dbraw/zinc/69/62/50/627696250.db2.gz WRYNJOFPLHBKEP-RGPMPMONSA-N 2 1 317.477 3.154 20 0 DGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccn1 ZINC000924948705 627696251 /nfs/dbraw/zinc/69/62/51/627696251.db2.gz WRYNJOFPLHBKEP-RGPMPMONSA-N 2 1 317.477 3.154 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000924957327 627698103 /nfs/dbraw/zinc/69/81/03/627698103.db2.gz GDCSNRSZQBDGID-HXUWFJFHSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925132555 627711582 /nfs/dbraw/zinc/71/15/82/627711582.db2.gz IFAIFOWMXVZJDZ-HNAYVOBHSA-N 2 1 314.429 3.036 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000925228613 627721145 /nfs/dbraw/zinc/72/11/45/627721145.db2.gz IPMXDCUNSHCRKQ-YSDSKTICSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000925228613 627721150 /nfs/dbraw/zinc/72/11/50/627721150.db2.gz IPMXDCUNSHCRKQ-YSDSKTICSA-N 2 1 316.489 3.300 20 0 DGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000925479854 627740986 /nfs/dbraw/zinc/74/09/86/627740986.db2.gz HMJDVIILHQORAK-AUUYWEPGSA-N 2 1 308.429 3.174 20 0 DGADMP COc1ccc2[nH]cc(CC[NH2+][C@@H](c3ccccc3)[C@@H](C)[NH3+])c2c1 ZINC000925485178 627741191 /nfs/dbraw/zinc/74/11/91/627741191.db2.gz BPFLFUNFPWRLEP-JLTOFOAXSA-N 2 1 323.440 3.397 20 0 DGADMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509551 627744400 /nfs/dbraw/zinc/74/44/00/627744400.db2.gz PBABKJBIFHXYCB-KURKYZTESA-N 2 1 300.446 3.268 20 0 DGADMP CC1(C)[C@@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925516315 627745755 /nfs/dbraw/zinc/74/57/55/627745755.db2.gz RZWXAUIISMQRQS-SNPRPXQTSA-N 2 1 310.388 3.154 20 0 DGADMP C[C@@H](N)[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541028 627750734 /nfs/dbraw/zinc/75/07/34/627750734.db2.gz GZYDRBXHYTXCQL-SGZDXZSOSA-N 2 1 315.505 3.462 20 0 DGADMP CO[C@H](C)c1nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000925544192 627751371 /nfs/dbraw/zinc/75/13/71/627751371.db2.gz YPGQYLQFMPITNW-CZUORRHYSA-N 2 1 319.474 3.420 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559405 627754683 /nfs/dbraw/zinc/75/46/83/627754683.db2.gz UHHHEHYMSSLOKF-FGTMMUONSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559405 627754685 /nfs/dbraw/zinc/75/46/85/627754685.db2.gz UHHHEHYMSSLOKF-FGTMMUONSA-N 2 1 307.526 3.009 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925559405 627754689 /nfs/dbraw/zinc/75/46/89/627754689.db2.gz UHHHEHYMSSLOKF-FGTMMUONSA-N 2 1 307.526 3.009 20 0 DGADMP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cc1nc2c(s1)CCCC2 ZINC000925567554 627755912 /nfs/dbraw/zinc/75/59/12/627755912.db2.gz PHCVMKDVCIYELU-MRXNPFEDSA-N 2 1 319.518 3.219 20 0 DGADMP Cc1sc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)nc1-c1ccccc1 ZINC000925587796 627759142 /nfs/dbraw/zinc/75/91/42/627759142.db2.gz JZCVTVJFWXFTEO-HNNXBMFYSA-N 2 1 315.486 3.391 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000925588209 627759295 /nfs/dbraw/zinc/75/92/95/627759295.db2.gz OXKVFROHGGCVOD-NEWSRXKRSA-N 2 1 308.510 3.149 20 0 DGADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925606637 627761867 /nfs/dbraw/zinc/76/18/67/627761867.db2.gz PDQQDWSGMNJZKA-ZWKOTPCHSA-N 2 1 317.477 3.127 20 0 DGADMP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925629447 627765511 /nfs/dbraw/zinc/76/55/11/627765511.db2.gz MCFKWBYKVMYXAV-UHFFFAOYSA-N 2 1 320.525 3.145 20 0 DGADMP Cn1c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)nc2cccc(Cl)c21 ZINC000925646846 627768830 /nfs/dbraw/zinc/76/88/30/627768830.db2.gz WAPKWAFQJQYIMY-NWDGAFQWSA-N 2 1 320.868 3.222 20 0 DGADMP Cn1c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)nc2cccc(Cl)c21 ZINC000925646844 627769046 /nfs/dbraw/zinc/76/90/46/627769046.db2.gz WAPKWAFQJQYIMY-NEPJUHHUSA-N 2 1 320.868 3.222 20 0 DGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccnc2ccccc12)c1ccccc1 ZINC000925709424 627779468 /nfs/dbraw/zinc/77/94/68/627779468.db2.gz UJNDXMNJTWBZNG-FOIQADDNSA-N 2 1 305.425 3.455 20 0 DGADMP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925715925 627780539 /nfs/dbraw/zinc/78/05/39/627780539.db2.gz KNBKYPDPKXMAMB-WMZOPIPTSA-N 2 1 306.425 3.092 20 0 DGADMP CC1(C)[NH2+]CC[C@H]1NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000925723664 627781796 /nfs/dbraw/zinc/78/17/96/627781796.db2.gz XEEZRMUISSNCFN-LJQANCHMSA-N 2 1 315.505 3.019 20 0 DGADMP CC1(C)C[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)C[C@@H]([NH3+])C1 ZINC000925731053 627783854 /nfs/dbraw/zinc/78/38/54/627783854.db2.gz RQXFLSKHVPSFKM-KGLIPLIRSA-N 2 1 316.474 3.201 20 0 DGADMP CC(C)([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000925736545 627785389 /nfs/dbraw/zinc/78/53/89/627785389.db2.gz BGWMUCKCVJOANO-GUDVDZBRSA-N 2 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000925736545 627785390 /nfs/dbraw/zinc/78/53/90/627785390.db2.gz BGWMUCKCVJOANO-GUDVDZBRSA-N 3 1 315.505 3.147 20 0 DGADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000925736545 627785391 /nfs/dbraw/zinc/78/53/91/627785391.db2.gz BGWMUCKCVJOANO-GUDVDZBRSA-N 3 1 315.505 3.147 20 0 DGADMP Cc1ccc([C@H](C2CCC2)N2CCc3sc(CN)nc3C2)o1 ZINC000925752083 627787030 /nfs/dbraw/zinc/78/70/30/627787030.db2.gz SNSNWTNWODGSSS-KRWDZBQOSA-N 2 1 317.458 3.403 20 0 DGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(F)(F)c1cc(F)cc(F)c1 ZINC000925758477 627789689 /nfs/dbraw/zinc/78/96/89/627789689.db2.gz DETNSPMPYMQYMD-SEGBCRLWSA-N 2 1 316.342 3.162 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(OC(F)F)c1 ZINC000925778120 627793666 /nfs/dbraw/zinc/79/36/66/627793666.db2.gz IDPQOYYTNKAOMG-ZYHUDNBSSA-N 2 1 320.330 3.183 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000925782413 627794387 /nfs/dbraw/zinc/79/43/87/627794387.db2.gz LOTJJHLLGDDIJX-YGRLFVJLSA-N 2 1 300.780 3.162 20 0 DGADMP C1CC[C@H]2CC[C@@H]([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)C[C@H]2C1 ZINC000925796620 627797124 /nfs/dbraw/zinc/79/71/24/627797124.db2.gz SGOMPXKKTJZCKT-MLHJIOFPSA-N 2 1 306.494 3.094 20 0 DGADMP Cn1cnc2cc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)ccc21 ZINC000925814199 627799071 /nfs/dbraw/zinc/79/90/71/627799071.db2.gz YFJASPVWDYNQDZ-QZTJIDSGSA-N 2 1 320.440 3.156 20 0 DGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1csc(Cl)c1 ZINC000925845342 627804893 /nfs/dbraw/zinc/80/48/93/627804893.db2.gz GIRWFZNKGLPDPY-CYBMUJFWSA-N 2 1 315.914 3.128 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)CC2)C1 ZINC000925845139 627805154 /nfs/dbraw/zinc/80/51/54/627805154.db2.gz XEOKYOFZYFHKRY-VBSBHUPXSA-N 3 1 319.537 3.151 20 0 DGADMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000925877767 627810448 /nfs/dbraw/zinc/81/04/48/627810448.db2.gz XATWCBQMNCZCJA-IRXDYDNUSA-N 2 1 312.413 3.247 20 0 DGADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925891078 627813362 /nfs/dbraw/zinc/81/33/62/627813362.db2.gz RSKUAMNSVCPLIA-KCLUMXDGSA-N 2 1 322.452 3.118 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1C ZINC000816648446 627819891 /nfs/dbraw/zinc/81/98/91/627819891.db2.gz KTXUGNWVECPFEJ-HOTGVXAUSA-N 2 1 301.478 3.057 20 0 DGADMP C[C@@H]1[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000926559470 627914266 /nfs/dbraw/zinc/91/42/66/627914266.db2.gz OMOGQEJGUQYLAZ-YLJYHZDGSA-N 2 1 315.505 3.113 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnn1CC1CCC1 ZINC000926561610 627915160 /nfs/dbraw/zinc/91/51/60/627915160.db2.gz ZKQCQOOPPTUHTI-OAHLLOKOSA-N 2 1 304.482 3.208 20 0 DGADMP COc1ccnc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1F ZINC000926703824 627936969 /nfs/dbraw/zinc/93/69/69/627936969.db2.gz PKIXRMLDLPLFPR-CYBMUJFWSA-N 2 1 317.408 3.142 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@H](C)O)CC1 ZINC000926731751 627942519 /nfs/dbraw/zinc/94/25/19/627942519.db2.gz LUJSAGQEMRPZCS-LPHOPBHVSA-N 2 1 304.478 3.209 20 0 DGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739219 627943208 /nfs/dbraw/zinc/94/32/08/627943208.db2.gz PMZIDGICQDFAQJ-FHWLQOOXSA-N 2 1 308.510 3.029 20 0 DGADMP Clc1ccnc2c1CC[C@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737931 627943217 /nfs/dbraw/zinc/94/32/17/627943217.db2.gz HSSAFMCVIXZNAC-RHSMWYFYSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737931 627943221 /nfs/dbraw/zinc/94/32/21/627943221.db2.gz HSSAFMCVIXZNAC-RHSMWYFYSA-N 2 1 319.880 3.434 20 0 DGADMP Clc1ccnc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737931 627943225 /nfs/dbraw/zinc/94/32/25/627943225.db2.gz HSSAFMCVIXZNAC-RHSMWYFYSA-N 2 1 319.880 3.434 20 0 DGADMP C([NH2+][C@@H]1CCOC12CCCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739421 627944414 /nfs/dbraw/zinc/94/44/14/627944414.db2.gz RTGJYNDQUUYBJV-QZTJIDSGSA-N 2 1 306.494 3.190 20 0 DGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000926798629 627957424 /nfs/dbraw/zinc/95/74/24/627957424.db2.gz OUYCNQHJFRDPPQ-UUWGUWTESA-N 2 1 302.384 3.061 20 0 DGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Br)nc1 ZINC000817938875 627967493 /nfs/dbraw/zinc/96/74/93/627967493.db2.gz UTEVPYOWZXDCKG-NSHDSACASA-N 2 1 312.255 3.156 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+]CC[NH2+]C3CC3)CC2)cc1 ZINC000817953973 627973289 /nfs/dbraw/zinc/97/32/89/627973289.db2.gz UDAZABKHYCSHFW-UHFFFAOYSA-N 2 1 316.489 3.282 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817958777 627975210 /nfs/dbraw/zinc/97/52/10/627975210.db2.gz MIGMVEJCCZSYCC-ZBFHGGJFSA-N 2 1 319.449 3.057 20 0 DGADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1SC(F)F ZINC000817961086 627976316 /nfs/dbraw/zinc/97/63/16/627976316.db2.gz UNJITEVISWVTLW-BXKDBHETSA-N 2 1 316.417 3.398 20 0 DGADMP COc1ccc2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926910596 627977947 /nfs/dbraw/zinc/97/79/47/627977947.db2.gz JMNKOCZZFNPOEG-WBVHZDCISA-N 2 1 312.457 3.463 20 0 DGADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817977985 627981911 /nfs/dbraw/zinc/98/19/11/627981911.db2.gz SKMJCCUWBGIHLF-JYJNAYRXSA-N 3 1 319.493 3.067 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000926923194 627981975 /nfs/dbraw/zinc/98/19/75/627981975.db2.gz OJKHKNSKTCNDMD-HOJAQTOUSA-N 2 1 309.457 3.240 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000926923196 627982086 /nfs/dbraw/zinc/98/20/86/627982086.db2.gz OJKHKNSKTCNDMD-YSIASYRMSA-N 2 1 309.457 3.240 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SC(F)F)cc1 ZINC000817982082 627982682 /nfs/dbraw/zinc/98/26/82/627982682.db2.gz PLAYQHURDNITQG-DGCLKSJQSA-N 2 1 316.417 3.030 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(-c2ccccc2)c1 ZINC000817986494 627984360 /nfs/dbraw/zinc/98/43/60/627984360.db2.gz QQMULWUTFSYOGS-DOTOQJQBSA-N 2 1 310.445 3.198 20 0 DGADMP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000927035874 628001144 /nfs/dbraw/zinc/00/11/44/628001144.db2.gz CMLGLODHZWNODP-KFKPPOKLSA-N 2 1 318.436 3.455 20 0 DGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCSC3(CCC3)C2)CC1 ZINC000927041497 628001494 /nfs/dbraw/zinc/00/14/94/628001494.db2.gz ZFTDJOPATVYJNQ-IAGOWNOFSA-N 2 1 324.534 3.038 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCSC3(CCC3)C2)CC1 ZINC000927041498 628001718 /nfs/dbraw/zinc/00/17/18/628001718.db2.gz ZFTDJOPATVYJNQ-IRXDYDNUSA-N 2 1 324.534 3.038 20 0 DGADMP CC(C)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000818357133 628018068 /nfs/dbraw/zinc/01/80/68/628018068.db2.gz YHKGNVBZVQVURM-MGNMYUMUSA-N 2 1 324.509 3.205 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000818968405 628069396 /nfs/dbraw/zinc/06/93/96/628069396.db2.gz SRDQFDVFQIXLBX-IBGZPJMESA-N 2 1 309.413 3.058 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000818971613 628070580 /nfs/dbraw/zinc/07/05/80/628070580.db2.gz ZFKJJPHJZAJYTK-LJQANCHMSA-N 2 1 316.420 3.101 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccc(F)cc1F)C(C)C ZINC000819127039 628096703 /nfs/dbraw/zinc/09/67/03/628096703.db2.gz SYWXHHZANIUTGF-KRWDZBQOSA-N 2 1 314.420 3.097 20 0 DGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)[nH+]c1 ZINC000819130101 628097514 /nfs/dbraw/zinc/09/75/14/628097514.db2.gz RMHXZRCJSUMELS-INIZCTEOSA-N 2 1 319.836 3.169 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCCC2 ZINC000820812872 628300123 /nfs/dbraw/zinc/30/01/23/628300123.db2.gz UPHYLZXTSYZHQL-ROUSISIUSA-N 2 1 318.505 3.472 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820815326 628300341 /nfs/dbraw/zinc/30/03/41/628300341.db2.gz ROVLTLOFNFYTAL-QGGWKKEGSA-N 2 1 312.457 3.430 20 0 DGADMP Cc1ccccc1C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccco1 ZINC000820842165 628303766 /nfs/dbraw/zinc/30/37/66/628303766.db2.gz RKVBNOTZZJFBQR-SFHVURJKSA-N 2 1 309.413 3.438 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822640313 628473172 /nfs/dbraw/zinc/47/31/72/628473172.db2.gz SIYLLBURXWKUGQ-KGLIPLIRSA-N 2 1 305.293 3.378 20 0 DGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822640313 628473173 /nfs/dbraw/zinc/47/31/73/628473173.db2.gz SIYLLBURXWKUGQ-KGLIPLIRSA-N 2 1 305.293 3.378 20 0 DGADMP ClC1(Cl)C[C@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000822640314 628473320 /nfs/dbraw/zinc/47/33/20/628473320.db2.gz SIYLLBURXWKUGQ-UONOGXRCSA-N 2 1 305.293 3.378 20 0 DGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000822640314 628473322 /nfs/dbraw/zinc/47/33/22/628473322.db2.gz SIYLLBURXWKUGQ-UONOGXRCSA-N 2 1 305.293 3.378 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659397 628476219 /nfs/dbraw/zinc/47/62/19/628476219.db2.gz PXHWLSCWNVKCEC-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659397 628476223 /nfs/dbraw/zinc/47/62/23/628476223.db2.gz PXHWLSCWNVKCEC-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659397 628476226 /nfs/dbraw/zinc/47/62/26/628476226.db2.gz PXHWLSCWNVKCEC-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659397 628476230 /nfs/dbraw/zinc/47/62/30/628476230.db2.gz PXHWLSCWNVKCEC-KGLIPLIRSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000823015505 628518981 /nfs/dbraw/zinc/51/89/81/628518981.db2.gz GSYNLLVLZQMGEJ-CYBMUJFWSA-N 2 1 305.293 3.378 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCC[C@H]1C ZINC000823850389 628602931 /nfs/dbraw/zinc/60/29/31/628602931.db2.gz BEFIOTOTNICZSQ-RWQQGDIJSA-N 2 1 308.510 3.434 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000828070348 629020252 /nfs/dbraw/zinc/02/02/52/629020252.db2.gz FGAQLYVCQQSCRV-HKUYNNGSSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000828070348 629020255 /nfs/dbraw/zinc/02/02/55/629020255.db2.gz FGAQLYVCQQSCRV-HKUYNNGSSA-N 2 1 303.494 3.175 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000828070348 629020258 /nfs/dbraw/zinc/02/02/58/629020258.db2.gz FGAQLYVCQQSCRV-HKUYNNGSSA-N 2 1 303.494 3.175 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCc3cc(Cl)ccc31)CCO2 ZINC000830651991 629293154 /nfs/dbraw/zinc/29/31/54/629293154.db2.gz KVZCLKWEUDYTQU-KRWDZBQOSA-N 2 1 320.864 3.124 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCc3cc(Cl)ccc31)CCO2 ZINC000830651991 629293155 /nfs/dbraw/zinc/29/31/55/629293155.db2.gz KVZCLKWEUDYTQU-KRWDZBQOSA-N 2 1 320.864 3.124 20 0 DGADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841049418 630402319 /nfs/dbraw/zinc/40/23/19/630402319.db2.gz QCXGYPSAGBBISR-LBPRGKRZSA-N 2 1 320.868 3.135 20 0 DGADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c(Cl)nc21 ZINC000841055769 630403138 /nfs/dbraw/zinc/40/31/38/630403138.db2.gz WDTUNCBXZOWWNG-KGLIPLIRSA-N 2 1 321.856 3.025 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])CC(=O)Nc1ccccc1Cl ZINC000842471761 630538762 /nfs/dbraw/zinc/53/87/62/630538762.db2.gz XUDXRLXVWCYYPU-UHFFFAOYSA-N 2 1 311.857 3.120 20 0 DGADMP CC[N@@H+](CCCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000842471193 630538777 /nfs/dbraw/zinc/53/87/77/630538777.db2.gz JNQMAUBGZPLUDK-UHFFFAOYSA-N 2 1 316.449 3.067 20 0 DGADMP Cc1ccccc1-n1cc(CNC[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000842673682 630561854 /nfs/dbraw/zinc/56/18/54/630561854.db2.gz PMEBHCMLAWTNRW-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000842673682 630561857 /nfs/dbraw/zinc/56/18/57/630561857.db2.gz PMEBHCMLAWTNRW-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000842673682 630561859 /nfs/dbraw/zinc/56/18/59/630561859.db2.gz PMEBHCMLAWTNRW-QGZVFWFLSA-N 2 1 312.461 3.001 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000842686981 630562928 /nfs/dbraw/zinc/56/29/28/630562928.db2.gz MYMNACJDAGWKCV-QZTJIDSGSA-N 2 1 312.461 3.143 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000842686982 630562937 /nfs/dbraw/zinc/56/29/37/630562937.db2.gz MYMNACJDAGWKCV-ROUUACIJSA-N 2 1 312.461 3.143 20 0 DGADMP Brc1cccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843128295 630616867 /nfs/dbraw/zinc/61/68/67/630616867.db2.gz JPFPPFRIWFXOIQ-OAHLLOKOSA-N 2 1 323.278 3.256 20 0 DGADMP C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CCC([NH3+])CC1 ZINC000843355880 630649170 /nfs/dbraw/zinc/64/91/70/630649170.db2.gz ZJHZZOYLYQDUMG-UHFFFAOYSA-N 2 1 324.472 3.063 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1Cl ZINC000843360555 630650029 /nfs/dbraw/zinc/65/00/29/630650029.db2.gz CONLALQGAYRHNY-AGUYFDCRSA-N 2 1 321.852 3.013 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1Cl ZINC000843360555 630650032 /nfs/dbraw/zinc/65/00/32/630650032.db2.gz CONLALQGAYRHNY-AGUYFDCRSA-N 2 1 321.852 3.013 20 0 DGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCCC[NH3+])C1 ZINC000844222100 630712944 /nfs/dbraw/zinc/71/29/44/630712944.db2.gz UIIGKCJNPKFUAC-OALUTQOASA-N 2 1 309.542 3.482 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000844222100 630712945 /nfs/dbraw/zinc/71/29/45/630712945.db2.gz UIIGKCJNPKFUAC-OALUTQOASA-N 2 1 309.542 3.482 20 0 DGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844222100 630712946 /nfs/dbraw/zinc/71/29/46/630712946.db2.gz UIIGKCJNPKFUAC-OALUTQOASA-N 3 1 309.542 3.482 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000846219586 631215337 /nfs/dbraw/zinc/21/53/37/631215337.db2.gz CQUHEINRNNHLMN-UXHICEINSA-N 3 1 317.521 3.178 20 0 DGADMP [NH3+]CCCCCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000846219284 631215371 /nfs/dbraw/zinc/21/53/71/631215371.db2.gz MZYKCTVMTOBMRY-IBGZPJMESA-N 2 1 304.478 3.268 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOC2CCCCCC2)C1 ZINC000846226784 631215828 /nfs/dbraw/zinc/21/58/28/631215828.db2.gz BUJYPPNWUYKPSL-NZSAHSFTSA-N 2 1 324.509 3.087 20 0 DGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000846810299 631313326 /nfs/dbraw/zinc/31/33/26/631313326.db2.gz DSEPHIKLCZJSPH-UHFFFAOYSA-N 2 1 301.409 3.371 20 0 DGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000848557458 631692153 /nfs/dbraw/zinc/69/21/53/631692153.db2.gz DYSYDRGAMPFVGJ-UHFFFAOYSA-N 2 1 324.468 3.290 20 0 DGADMP C[C@@H](NC(=[NH2+])NC[C@H](C)[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000848996610 631801769 /nfs/dbraw/zinc/80/17/69/631801769.db2.gz KISTVPJCGHMIRH-VHSXEESVSA-N 2 1 317.264 3.118 20 0 DGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849023889 631810122 /nfs/dbraw/zinc/81/01/22/631810122.db2.gz KDADLPLLNLPYBL-AWEZNQCLSA-N 2 1 310.392 3.021 20 0 DGADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849029687 631812591 /nfs/dbraw/zinc/81/25/91/631812591.db2.gz HNROWLCOQVKPGO-AEFFLSMTSA-N 2 1 316.493 3.201 20 0 DGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)c1ccccc1 ZINC000849055801 631821023 /nfs/dbraw/zinc/82/10/23/631821023.db2.gz DEJWIOZWCCRGSF-FUHWJXTLSA-N 2 1 316.493 3.326 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)cc1 ZINC000849096113 631834093 /nfs/dbraw/zinc/83/40/93/631834093.db2.gz AAZMRVLVPPXFOK-HNNXBMFYSA-N 2 1 300.450 3.398 20 0 DGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)cc1 ZINC000849096113 631834096 /nfs/dbraw/zinc/83/40/96/631834096.db2.gz AAZMRVLVPPXFOK-HNNXBMFYSA-N 2 1 300.450 3.398 20 0 DGADMP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000849105195 631836971 /nfs/dbraw/zinc/83/69/71/631836971.db2.gz HJOTUVZUZROQCG-UHFFFAOYSA-N 2 1 302.466 3.362 20 0 DGADMP C[N@H+](Cc1ccccc1)C1(CNC(=[NH2+])Nc2ccccn2)CCC1 ZINC000849114315 631839424 /nfs/dbraw/zinc/83/94/24/631839424.db2.gz DAYSFCDISOFUKZ-UHFFFAOYSA-N 2 1 323.444 3.073 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=[NH2+])Nc2ccccn2)CCC1 ZINC000849114315 631839428 /nfs/dbraw/zinc/83/94/28/631839428.db2.gz DAYSFCDISOFUKZ-UHFFFAOYSA-N 2 1 323.444 3.073 20 0 DGADMP C[C@H](N)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486496 632005713 /nfs/dbraw/zinc/00/57/13/632005713.db2.gz HSNQQJVWBDYUKX-HKUYNNGSSA-N 2 1 303.494 3.321 20 0 DGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850575376 632199452 /nfs/dbraw/zinc/19/94/52/632199452.db2.gz VALCVUZFUOCOQK-IAGOWNOFSA-N 2 1 310.869 3.082 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000850575522 632200505 /nfs/dbraw/zinc/20/05/05/632200505.db2.gz XUXLCARPPOQKHC-QZTJIDSGSA-N 2 1 324.896 3.472 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOC(F)F)C2)s1 ZINC000852023692 632541368 /nfs/dbraw/zinc/54/13/68/632541368.db2.gz XBOFBFVOXXMIKG-CYBMUJFWSA-N 2 1 318.433 3.049 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOC(F)F)C2)s1 ZINC000852023692 632541372 /nfs/dbraw/zinc/54/13/72/632541372.db2.gz XBOFBFVOXXMIKG-CYBMUJFWSA-N 2 1 318.433 3.049 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOC(F)F)C2)s1 ZINC000852023692 632541376 /nfs/dbraw/zinc/54/13/76/632541376.db2.gz XBOFBFVOXXMIKG-CYBMUJFWSA-N 2 1 318.433 3.049 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCC1 ZINC000185276406 660212893 /nfs/dbraw/zinc/21/28/93/660212893.db2.gz GYDWGBPMCFHAJR-LBPRGKRZSA-N 2 1 311.813 3.070 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCc4ccccc4OC3)CC[NH2+]2)cc1 ZINC000423115363 660489909 /nfs/dbraw/zinc/48/99/09/660489909.db2.gz NCHNESAENJROQH-ZCNNSNEGSA-N 2 1 322.452 3.463 20 0 DGADMP O[C@]1(C[NH2+]C2CCCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000702586962 660730777 /nfs/dbraw/zinc/73/07/77/660730777.db2.gz LEBNHSAZNDAJLR-FQEVSTJZSA-N 2 1 316.489 3.326 20 0 DGADMP O[C@]1(C[NH2+]C2CCCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702586962 660730779 /nfs/dbraw/zinc/73/07/79/660730779.db2.gz LEBNHSAZNDAJLR-FQEVSTJZSA-N 2 1 316.489 3.326 20 0 DGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034438560 660754520 /nfs/dbraw/zinc/75/45/20/660754520.db2.gz OQZZKMSOUQILNY-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034438560 660754521 /nfs/dbraw/zinc/75/45/21/660754521.db2.gz OQZZKMSOUQILNY-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034438560 660754523 /nfs/dbraw/zinc/75/45/23/660754523.db2.gz OQZZKMSOUQILNY-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034482004 660757819 /nfs/dbraw/zinc/75/78/19/660757819.db2.gz YCSUQCOSFKMELB-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034482004 660757820 /nfs/dbraw/zinc/75/78/20/660757820.db2.gz YCSUQCOSFKMELB-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034482004 660757821 /nfs/dbraw/zinc/75/78/21/660757821.db2.gz YCSUQCOSFKMELB-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC)CC1 ZINC001034775338 660790592 /nfs/dbraw/zinc/79/05/92/660790592.db2.gz LHVAEVRGFUHLRI-BZSNNMDCSA-N 2 1 323.525 3.068 20 0 DGADMP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955893 660915639 /nfs/dbraw/zinc/91/56/39/660915639.db2.gz DLHWWHRTOPDBOX-VXGBXAGGSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@@H]1C[C@H](C[N@H+]2Cc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000707955893 660915640 /nfs/dbraw/zinc/91/56/40/660915640.db2.gz DLHWWHRTOPDBOX-VXGBXAGGSA-N 2 1 309.251 3.153 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CC1 ZINC000711679363 660961847 /nfs/dbraw/zinc/96/18/47/660961847.db2.gz FGLZPOPAMWQAIY-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CC1 ZINC000711679363 660961848 /nfs/dbraw/zinc/96/18/48/660961848.db2.gz FGLZPOPAMWQAIY-GOSISDBHSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CC1 ZINC000711679364 660961895 /nfs/dbraw/zinc/96/18/95/660961895.db2.gz FGLZPOPAMWQAIY-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CC1 ZINC000711679364 660961896 /nfs/dbraw/zinc/96/18/96/660961896.db2.gz FGLZPOPAMWQAIY-SFHVURJKSA-N 2 1 302.462 3.056 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792907996 660992998 /nfs/dbraw/zinc/99/29/98/660992998.db2.gz QLHJZFLJORCQEQ-MCIONIFRSA-N 2 1 305.293 3.377 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792907996 660992999 /nfs/dbraw/zinc/99/29/99/660992999.db2.gz QLHJZFLJORCQEQ-MCIONIFRSA-N 2 1 305.293 3.377 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792907996 660993001 /nfs/dbraw/zinc/99/30/01/660993001.db2.gz QLHJZFLJORCQEQ-MCIONIFRSA-N 2 1 305.293 3.377 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792907996 660993002 /nfs/dbraw/zinc/99/30/02/660993002.db2.gz QLHJZFLJORCQEQ-MCIONIFRSA-N 2 1 305.293 3.377 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277416 655535058 /nfs/dbraw/zinc/53/50/58/655535058.db2.gz IXXMYWAZOKGDTD-INIZCTEOSA-N 2 1 308.514 3.126 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1ccco1 ZINC000080189172 655572831 /nfs/dbraw/zinc/57/28/31/655572831.db2.gz SXWSOUVWWSKJBN-QGZVFWFLSA-N 2 1 316.445 3.061 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1ccco1 ZINC000080189172 655572832 /nfs/dbraw/zinc/57/28/32/655572832.db2.gz SXWSOUVWWSKJBN-QGZVFWFLSA-N 2 1 316.445 3.061 20 0 DGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000723674863 655715610 /nfs/dbraw/zinc/71/56/10/655715610.db2.gz CVCGFCMXXJFTJF-JTQLQIEISA-N 2 1 317.658 3.273 20 0 DGADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262003987 655747571 /nfs/dbraw/zinc/74/75/71/655747571.db2.gz LOXSTROHCFPZNQ-QGZVFWFLSA-N 2 1 301.821 3.074 20 0 DGADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262003987 655747573 /nfs/dbraw/zinc/74/75/73/655747573.db2.gz LOXSTROHCFPZNQ-QGZVFWFLSA-N 2 1 301.821 3.074 20 0 DGADMP C[C@H]1CSCCC[NH+]1CCC[N@@H+]1CCCSC[C@@H]1C ZINC000934304295 655765819 /nfs/dbraw/zinc/76/58/19/655765819.db2.gz PSNPXSRFVBJODF-GJZGRUSLSA-N 2 1 302.553 3.031 20 0 DGADMP COC(C)(C)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309764281 655882885 /nfs/dbraw/zinc/88/28/85/655882885.db2.gz FNRMXRIOHQSAHC-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926708044 655935374 /nfs/dbraw/zinc/93/53/74/655935374.db2.gz XVWDOGVHGFRVQW-YQVWRLOYSA-N 2 1 308.510 3.314 20 0 DGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926708044 655935377 /nfs/dbraw/zinc/93/53/77/655935377.db2.gz XVWDOGVHGFRVQW-YQVWRLOYSA-N 2 1 308.510 3.314 20 0 DGADMP C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)C1CCC([NH3+])CC1 ZINC000317714551 656662515 /nfs/dbraw/zinc/66/25/15/656662515.db2.gz KMKWFYLGRAPLHT-UHFFFAOYSA-N 2 1 320.824 3.092 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532357 656900115 /nfs/dbraw/zinc/90/01/15/656900115.db2.gz AHITXNBOEBIUNQ-HSALFYBXSA-N 2 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261532357 656900122 /nfs/dbraw/zinc/90/01/22/656900122.db2.gz AHITXNBOEBIUNQ-HSALFYBXSA-N 3 1 315.505 3.006 20 0 DGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261532357 656900124 /nfs/dbraw/zinc/90/01/24/656900124.db2.gz AHITXNBOEBIUNQ-HSALFYBXSA-N 3 1 315.505 3.006 20 0 DGADMP CC[N@@H+](Cc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1)C(C)C ZINC000261734950 657060506 /nfs/dbraw/zinc/06/05/06/657060506.db2.gz KMQHJRUHCURMDS-CQSZACIVSA-N 2 1 316.449 3.117 20 0 DGADMP COc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000237128645 657151507 /nfs/dbraw/zinc/15/15/07/657151507.db2.gz KACZLHZQFRMKNK-HZPDHXFCSA-N 2 1 315.461 3.024 20 0 DGADMP COc1ccc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2c1 ZINC000261964473 657266065 /nfs/dbraw/zinc/26/60/65/657266065.db2.gz HPYPVTNBPFWUFW-UHFFFAOYSA-N 2 1 310.441 3.424 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262028427 657292021 /nfs/dbraw/zinc/29/20/21/657292021.db2.gz NUKGCPVWDWGNAT-UHFFFAOYSA-N 2 1 304.381 3.342 20 0 DGADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C2CCCCC2)n1 ZINC000262067355 657305613 /nfs/dbraw/zinc/30/56/13/657305613.db2.gz RSLKLVCBUYBWAY-UHFFFAOYSA-N 2 1 316.493 3.043 20 0 DGADMP c1ccc(-c2cccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2)nc1 ZINC000262150058 657410068 /nfs/dbraw/zinc/41/00/68/657410068.db2.gz ZVXILGZRSGWSAZ-UHFFFAOYSA-N 2 1 307.441 3.324 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)cc1 ZINC000305143890 657687370 /nfs/dbraw/zinc/68/73/70/657687370.db2.gz RDJIAHLSLPBZOF-RDTXWAMCSA-N 2 1 301.434 3.238 20 0 DGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826144 658225314 /nfs/dbraw/zinc/22/53/14/658225314.db2.gz RDZWCZSSFCESTJ-JFIYKMOQSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826144 658225319 /nfs/dbraw/zinc/22/53/19/658225319.db2.gz RDZWCZSSFCESTJ-JFIYKMOQSA-N 2 1 301.478 3.039 20 0 DGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000721201779 658675320 /nfs/dbraw/zinc/67/53/20/658675320.db2.gz LKRFSDZXCZVLFA-SLFFLAALSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157419226 659054994 /nfs/dbraw/zinc/05/49/94/659054994.db2.gz UUCHMGAAKGLDDJ-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP Cc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157419226 659055005 /nfs/dbraw/zinc/05/50/05/659055005.db2.gz UUCHMGAAKGLDDJ-SFHVURJKSA-N 2 1 302.462 3.324 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929470589 659452113 /nfs/dbraw/zinc/45/21/13/659452113.db2.gz NTNUEQRVHLXUHS-GJZGRUSLSA-N 2 1 322.415 3.291 20 0 DGADMP C[N@H+](CCc1ccns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929755687 659555446 /nfs/dbraw/zinc/55/54/46/659555446.db2.gz WQDBOESKASSXFW-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[N@@H+](CCc1ccns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929755687 659555451 /nfs/dbraw/zinc/55/54/51/659555451.db2.gz WQDBOESKASSXFW-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1ccns1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929755687 659555455 /nfs/dbraw/zinc/55/54/55/659555455.db2.gz WQDBOESKASSXFW-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP C[NH+](CCc1ccns1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929755687 659555457 /nfs/dbraw/zinc/55/54/57/659555457.db2.gz WQDBOESKASSXFW-QGZVFWFLSA-N 2 1 315.486 3.140 20 0 DGADMP Fc1cccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930061223 659902367 /nfs/dbraw/zinc/90/23/67/659902367.db2.gz PDZCYFGDVFVBNQ-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930061223 659902368 /nfs/dbraw/zinc/90/23/68/659902368.db2.gz PDZCYFGDVFVBNQ-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP Fc1cccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930061223 659902371 /nfs/dbraw/zinc/90/23/71/659902371.db2.gz PDZCYFGDVFVBNQ-QFBILLFUSA-N 2 1 302.437 3.317 20 0 DGADMP C([C@@H]1CCCC2(CCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929286159 661294121 /nfs/dbraw/zinc/29/41/21/661294121.db2.gz IETNZJACJWIFMD-SFHVURJKSA-N 2 1 306.494 3.429 20 0 DGADMP CCc1ncc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000929754425 661334873 /nfs/dbraw/zinc/33/48/73/661334873.db2.gz ODMLYJRLLHRGOW-KRWDZBQOSA-N 2 1 313.445 3.191 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCN1C ZINC000929782357 661337782 /nfs/dbraw/zinc/33/77/82/661337782.db2.gz MDGTVWWHLYMIKZ-MWQQHZPXSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782357 661337784 /nfs/dbraw/zinc/33/77/84/661337784.db2.gz MDGTVWWHLYMIKZ-MWQQHZPXSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H](N(C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782357 661337787 /nfs/dbraw/zinc/33/77/87/661337787.db2.gz MDGTVWWHLYMIKZ-MWQQHZPXSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000929782357 661337789 /nfs/dbraw/zinc/33/77/89/661337789.db2.gz MDGTVWWHLYMIKZ-MWQQHZPXSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000929782357 661337792 /nfs/dbraw/zinc/33/77/92/661337792.db2.gz MDGTVWWHLYMIKZ-MWQQHZPXSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782357 661337795 /nfs/dbraw/zinc/33/77/95/661337795.db2.gz MDGTVWWHLYMIKZ-MWQQHZPXSA-N 2 1 308.416 3.450 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[NH+]1C ZINC000929782357 661337798 /nfs/dbraw/zinc/33/77/98/661337798.db2.gz MDGTVWWHLYMIKZ-MWQQHZPXSA-N 2 1 308.416 3.450 20 0 DGADMP CCc1onc(C)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117589 661368253 /nfs/dbraw/zinc/36/82/53/661368253.db2.gz RADMKRHIDSADHY-UHFFFAOYSA-N 2 1 301.434 3.239 20 0 DGADMP CCc1onc(C)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117589 661368256 /nfs/dbraw/zinc/36/82/56/661368256.db2.gz RADMKRHIDSADHY-UHFFFAOYSA-N 2 1 301.434 3.239 20 0 DGADMP Cc1cccc([C@H](O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000930117618 661368395 /nfs/dbraw/zinc/36/83/95/661368395.db2.gz RSJNEZRLOMSVDL-HXUWFJFHSA-N 2 1 312.457 3.222 20 0 DGADMP Cc1[nH]c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000930456646 661400233 /nfs/dbraw/zinc/40/02/33/661400233.db2.gz IFDFECOBMTUMBW-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP Cc1[nH]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000930456646 661400234 /nfs/dbraw/zinc/40/02/34/661400234.db2.gz IFDFECOBMTUMBW-HXUWFJFHSA-N 2 1 324.472 3.125 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931318412 661466218 /nfs/dbraw/zinc/46/62/18/661466218.db2.gz TWIGTCLCPSHMEI-DFQSSKMNSA-N 2 1 316.489 3.113 20 0 DGADMP Cc1ccc(-c2cc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)on2)cc1 ZINC000931432424 661475748 /nfs/dbraw/zinc/47/57/48/661475748.db2.gz QIMXEHLYVXGYJS-SJORKVTESA-N 2 1 311.429 3.034 20 0 DGADMP CC(C)CCc1nc(CN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cs1 ZINC000931433774 661476089 /nfs/dbraw/zinc/47/60/89/661476089.db2.gz HYMNEXPUNFSTKI-LSDHHAIUSA-N 2 1 307.507 3.115 20 0 DGADMP CC[C@H](OCCN1CCc2nccc(N)c2C1)c1ccccc1 ZINC000931515741 661484714 /nfs/dbraw/zinc/48/47/14/661484714.db2.gz JODUMTNXIBGCHU-IBGZPJMESA-N 2 1 311.429 3.190 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545914 661487105 /nfs/dbraw/zinc/48/71/05/661487105.db2.gz IUIMJPSSGHXHDY-QBPKDAKJSA-N 2 1 306.400 3.061 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545914 661487108 /nfs/dbraw/zinc/48/71/08/661487108.db2.gz IUIMJPSSGHXHDY-QBPKDAKJSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545914 661487110 /nfs/dbraw/zinc/48/71/10/661487110.db2.gz IUIMJPSSGHXHDY-QBPKDAKJSA-N 2 1 306.400 3.061 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000931545914 661487114 /nfs/dbraw/zinc/48/71/14/661487114.db2.gz IUIMJPSSGHXHDY-QBPKDAKJSA-N 2 1 306.400 3.061 20 0 DGADMP COC/C(C)=C\CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931612100 661492788 /nfs/dbraw/zinc/49/27/88/661492788.db2.gz FGBDDTUCEGENFO-IEVDDZORSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931612100 661492791 /nfs/dbraw/zinc/49/27/91/661492791.db2.gz FGBDDTUCEGENFO-IEVDDZORSA-N 2 1 314.473 3.033 20 0 DGADMP COC/C(C)=C\C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931612100 661492797 /nfs/dbraw/zinc/49/27/97/661492797.db2.gz FGBDDTUCEGENFO-IEVDDZORSA-N 2 1 314.473 3.033 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000931751663 661505317 /nfs/dbraw/zinc/50/53/17/661505317.db2.gz DCLKETCQFLQJRW-KRWDZBQOSA-N 2 1 306.494 3.429 20 0 DGADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](CCOC3CC3)CC2)cc1 ZINC000933550745 661640529 /nfs/dbraw/zinc/64/05/29/661640529.db2.gz QXOPDQHVXWZMCS-UHFFFAOYSA-N 2 1 314.473 3.253 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934562998 661715445 /nfs/dbraw/zinc/71/54/45/661715445.db2.gz UKHQXGJBTIUATJ-OAHLLOKOSA-N 2 1 315.465 3.319 20 0 DGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382087177 685162379 /nfs/dbraw/zinc/16/23/79/685162379.db2.gz XVKJEUMFTRQHGA-PKOBYXMFSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384673899 685172233 /nfs/dbraw/zinc/17/22/33/685172233.db2.gz YNWWVRVGYSVLFL-FPAYPSAMSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000389953022 685198004 /nfs/dbraw/zinc/19/80/04/685198004.db2.gz VAECTHIEVWJRPT-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000389953022 685198011 /nfs/dbraw/zinc/19/80/11/685198011.db2.gz VAECTHIEVWJRPT-NZSAHSFTSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC1C[NH2+]C1 ZINC001576623691 1191856107 /nfs/dbraw/zinc/85/61/07/1191856107.db2.gz MEFVMPPZKYZUAP-DOMZBBRYSA-N 2 1 323.278 3.236 20 0 DGADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1C(=O)OC(C)(C)C ZINC001576731593 1191866111 /nfs/dbraw/zinc/86/61/11/1191866111.db2.gz MKMDBRATMOFUQI-QBPKDAKJSA-N 2 1 324.509 3.051 20 0 DGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001577188828 1191888166 /nfs/dbraw/zinc/88/81/66/1191888166.db2.gz LXXFJHDGBQSAJV-BARDWOONSA-N 2 1 309.251 3.050 20 0 DGADMP CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC001577312420 1191892940 /nfs/dbraw/zinc/89/29/40/1191892940.db2.gz DPDDTGXSVJATQN-PBHICJAKSA-N 2 1 318.461 3.013 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001578427071 1191942895 /nfs/dbraw/zinc/94/28/95/1191942895.db2.gz NXFKEMAZYWPDHI-IEBWSBKVSA-N 2 1 301.478 3.107 20 0 DGADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001578458075 1191944881 /nfs/dbraw/zinc/94/48/81/1191944881.db2.gz IROGBBAIZJUMPO-MOPGFXCFSA-N 2 1 302.462 3.228 20 0 DGADMP C[N@@H+](CCOc1ccccc1C(C)(C)C)CC1(C[NH3+])CCC1 ZINC001578476669 1191945440 /nfs/dbraw/zinc/94/54/40/1191945440.db2.gz HSPCGIJRKSPRFM-UHFFFAOYSA-N 2 1 304.478 3.424 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1=CC[NH2+]CC1 ZINC001578494484 1191946753 /nfs/dbraw/zinc/94/67/53/1191946753.db2.gz ZRFGFTNLDXUYEE-UHFFFAOYSA-N 3 1 315.505 3.044 20 0 DGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCC1=CC[NH2+]CC1 ZINC001578494484 1191946754 /nfs/dbraw/zinc/94/67/54/1191946754.db2.gz ZRFGFTNLDXUYEE-UHFFFAOYSA-N 2 1 315.505 3.044 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001578529674 1191947402 /nfs/dbraw/zinc/94/74/02/1191947402.db2.gz XCKPMTWABCCWDQ-MRXNPFEDSA-N 2 1 303.450 3.083 20 0 DGADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1 ZINC001578908594 1191960831 /nfs/dbraw/zinc/96/08/31/1191960831.db2.gz AKGXFBZVUKBRKP-SJORKVTESA-N 2 1 308.853 3.103 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001578970309 1191963720 /nfs/dbraw/zinc/96/37/20/1191963720.db2.gz QRZGQYGGLRXCNY-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001578970309 1191963722 /nfs/dbraw/zinc/96/37/22/1191963722.db2.gz QRZGQYGGLRXCNY-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP COCC[C@H]([NH3+])C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC001579001023 1191964109 /nfs/dbraw/zinc/96/41/09/1191964109.db2.gz DZLLBAMXSNQWDI-WMLDXEAASA-N 2 1 304.434 3.392 20 0 DGADMP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001579005489 1191964253 /nfs/dbraw/zinc/96/42/53/1191964253.db2.gz QLPPZNJGKGPWCR-CEXWTWQISA-N 2 1 302.462 3.086 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)cc1Cl ZINC001579216072 1191969531 /nfs/dbraw/zinc/96/95/31/1191969531.db2.gz BCSUMFHNFCODIF-DAXOMENPSA-N 2 1 308.853 3.215 20 0 DGADMP COc1ccccc1C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C(C)C ZINC001579306281 1191973248 /nfs/dbraw/zinc/97/32/48/1191973248.db2.gz LIVGYMHPHMRCIC-KBPBESRZSA-N 2 1 318.383 3.132 20 0 DGADMP C[C@H]1C[N@@H+](CCOC2CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001620543021 1191976490 /nfs/dbraw/zinc/97/64/90/1191976490.db2.gz PURWMOVPSLQUAO-KRWDZBQOSA-N 2 1 317.477 3.332 20 0 DGADMP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001579499389 1191977931 /nfs/dbraw/zinc/97/79/31/1191977931.db2.gz LTMFXEDKCVZZDK-RARDXLECSA-N 2 1 313.489 3.085 20 0 DGADMP C[Si](C)(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC001579510033 1191978143 /nfs/dbraw/zinc/97/81/43/1191978143.db2.gz RBNHVIVIYMPYCB-HKUYNNGSSA-N 2 1 316.565 3.196 20 0 DGADMP Cc1n[nH]c(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514385 1191978369 /nfs/dbraw/zinc/97/83/69/1191978369.db2.gz OCTLBCDAAPEXGW-RDJZCZTQSA-N 2 1 304.482 3.146 20 0 DGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001579548525 1191979721 /nfs/dbraw/zinc/97/97/21/1191979721.db2.gz WJQSWUKZRUQQBW-YLJYHZDGSA-N 2 1 324.472 3.145 20 0 DGADMP Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC001579635269 1191983125 /nfs/dbraw/zinc/98/31/25/1191983125.db2.gz CJRLQAMFALVSEB-OWCLPIDISA-N 2 1 302.466 3.321 20 0 DGADMP Cc1cccc([C@H]2CCC[N@H+]2CCC2([NH3+])CCOCC2)c1C ZINC001579756220 1191991240 /nfs/dbraw/zinc/99/12/40/1191991240.db2.gz GOKDPPAKZAGKDJ-GOSISDBHSA-N 2 1 302.462 3.338 20 0 DGADMP Cc1scc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1C ZINC001579936989 1191999532 /nfs/dbraw/zinc/99/95/32/1191999532.db2.gz HGSASVOAFLPQIC-ZACQAIPSSA-N 2 1 308.491 3.226 20 0 DGADMP Cn1c[nH+]c2c1ccc1c2CCCN1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001579985318 1192001468 /nfs/dbraw/zinc/00/14/68/1192001468.db2.gz XMAGRISUIUIRLP-SHTZXODSSA-N 2 1 312.461 3.091 20 0 DGADMP [NH3+]C1(CC[NH2+]Cc2c(Cl)oc3ccccc32)CCOCC1 ZINC001580145260 1192010017 /nfs/dbraw/zinc/01/00/17/1192010017.db2.gz WKKZXDNXHXKGPX-UHFFFAOYSA-N 2 1 308.809 3.074 20 0 DGADMP [NH3+]C1CCC2(CC1)C[N@H+]([C@@H]1CCCc3ccccc31)CCO2 ZINC001580173161 1192011894 /nfs/dbraw/zinc/01/18/94/1192011894.db2.gz DAMZQOITMFJKBQ-CUYAVPTFSA-N 2 1 300.446 3.036 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC001580199960 1192012666 /nfs/dbraw/zinc/01/26/66/1192012666.db2.gz OBGJINPAWOANSR-SQNIBIBYSA-N 2 1 322.880 3.243 20 0 DGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3cc(Cl)cnc3o1)C2 ZINC001580335101 1192021613 /nfs/dbraw/zinc/02/16/13/1192021613.db2.gz ZLMFTCXPXZNTNI-LRDDRELGSA-N 2 1 305.809 3.042 20 0 DGADMP [NH3+]Cc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001580339227 1192022274 /nfs/dbraw/zinc/02/22/74/1192022274.db2.gz GOIZDFUOPYMRJO-IBGZPJMESA-N 2 1 301.478 3.032 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)cc1 ZINC001580339227 1192022277 /nfs/dbraw/zinc/02/22/77/1192022277.db2.gz GOIZDFUOPYMRJO-IBGZPJMESA-N 2 1 301.478 3.032 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC001580372054 1192023823 /nfs/dbraw/zinc/02/38/23/1192023823.db2.gz QFFQLICVSNUGHJ-HUUCEWRRSA-N 2 1 305.422 3.309 20 0 DGADMP OCC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC001580881869 1192043272 /nfs/dbraw/zinc/04/32/72/1192043272.db2.gz MBNQIZOJZRYNMH-NHYWBVRUSA-N 2 1 317.260 3.006 20 0 DGADMP Oc1ccc(C[C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001580888695 1192044076 /nfs/dbraw/zinc/04/40/76/1192044076.db2.gz WAEWMEDVHNUSQE-ZWKOTPCHSA-N 2 1 302.462 3.179 20 0 DGADMP c1cc2c(cc1C[N@H+]1CCSC3(CCC3)CC1)C[NH2+]CC2 ZINC001580889586 1192044151 /nfs/dbraw/zinc/04/41/51/1192044151.db2.gz DNOJAFAVOWSFNW-UHFFFAOYSA-N 2 1 302.487 3.194 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC001620810254 1192104407 /nfs/dbraw/zinc/10/44/07/1192104407.db2.gz JICCZUSFEHKEDR-UHFFFAOYSA-N 2 1 317.481 3.330 20 0 DGADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001620823582 1192190789 /nfs/dbraw/zinc/19/07/89/1192190789.db2.gz AIQBEIAWWRIJKG-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001620823582 1192190798 /nfs/dbraw/zinc/19/07/98/1192190798.db2.gz AIQBEIAWWRIJKG-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001620823582 1192190800 /nfs/dbraw/zinc/19/08/00/1192190800.db2.gz AIQBEIAWWRIJKG-HKUYNNGSSA-N 2 1 303.494 3.143 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC001620890327 1192556944 /nfs/dbraw/zinc/55/69/44/1192556944.db2.gz IMTNLGFOFVQMRW-RDJZCZTQSA-N 2 1 312.461 3.396 20 0 DGADMP Cc1ccc(-c2ccccc2C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC001620892910 1192560107 /nfs/dbraw/zinc/56/01/07/1192560107.db2.gz WSPHZWDPRKCTKB-OAQYLSRUSA-N 2 1 324.468 3.127 20 0 DGADMP Cc1ccc(-c2ccccc2C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC001620892910 1192560112 /nfs/dbraw/zinc/56/01/12/1192560112.db2.gz WSPHZWDPRKCTKB-OAQYLSRUSA-N 2 1 324.468 3.127 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620925054 1192615839 /nfs/dbraw/zinc/61/58/39/1192615839.db2.gz YAPUODOECMVESH-MJGOQNOKSA-N 2 1 317.521 3.359 20 0 DGADMP CCCn1nc(C)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1C ZINC000133120262 1176409199 /nfs/dbraw/zinc/40/91/99/1176409199.db2.gz WDDWLTKZOHZZRQ-HNNXBMFYSA-N 2 1 306.498 3.122 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168149676 1176838630 /nfs/dbraw/zinc/83/86/30/1176838630.db2.gz BSWUCCLIRZVEGC-ZDUSSCGKSA-N 2 1 316.367 3.249 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168149676 1176838635 /nfs/dbraw/zinc/83/86/35/1176838635.db2.gz BSWUCCLIRZVEGC-ZDUSSCGKSA-N 2 1 316.367 3.249 20 0 DGADMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384069078 1177081087 /nfs/dbraw/zinc/08/10/87/1177081087.db2.gz KRBMQFLERQZKOG-SFHVURJKSA-N 2 1 304.478 3.290 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042038 1177092703 /nfs/dbraw/zinc/09/27/03/1177092703.db2.gz YEHMLKQKPXOLBM-BOSXTWCSSA-N 2 1 316.489 3.131 20 0 DGADMP C[C@H]1C[C@@H](CO)[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042038 1177092713 /nfs/dbraw/zinc/09/27/13/1177092713.db2.gz YEHMLKQKPXOLBM-BOSXTWCSSA-N 2 1 316.489 3.131 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001752832848 1177262840 /nfs/dbraw/zinc/26/28/40/1177262840.db2.gz NQEFJCZOLFTEQK-ROUUACIJSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC(C)C)c1 ZINC000339071440 1177789069 /nfs/dbraw/zinc/78/90/69/1177789069.db2.gz QGFDYNITUAENGB-MSOLQXFVSA-N 2 1 302.462 3.499 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC(C)C)c1 ZINC000339071440 1177789084 /nfs/dbraw/zinc/78/90/84/1177789084.db2.gz QGFDYNITUAENGB-MSOLQXFVSA-N 2 1 302.462 3.499 20 0 DGADMP C[NH2+]CC[C@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000323097360 1178022036 /nfs/dbraw/zinc/02/20/36/1178022036.db2.gz ZITLNEPAUTVEKY-VIFPVBQESA-N 2 1 305.647 3.190 20 0 DGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC000227372348 1178028476 /nfs/dbraw/zinc/02/84/76/1178028476.db2.gz OBEOUYKGOSDNDR-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC000227372348 1178028485 /nfs/dbraw/zinc/02/84/85/1178028485.db2.gz OBEOUYKGOSDNDR-OCCSQVGLSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)n1ncc2c1[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277466 1178172242 /nfs/dbraw/zinc/17/22/42/1178172242.db2.gz MSEPLJBJGFWPNC-HOTGVXAUSA-N 2 1 304.482 3.304 20 0 DGADMP CC(C)n1ncc2c1[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC001331277466 1178172249 /nfs/dbraw/zinc/17/22/49/1178172249.db2.gz MSEPLJBJGFWPNC-HOTGVXAUSA-N 2 1 304.482 3.304 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccccc3)n2)CC1(C)C ZINC001331496946 1178226950 /nfs/dbraw/zinc/22/69/50/1178226950.db2.gz DZNGETPSDKDYDC-INIZCTEOSA-N 2 1 313.445 3.347 20 0 DGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC001331510707 1178231296 /nfs/dbraw/zinc/23/12/96/1178231296.db2.gz KCUOHHHDPMQCMM-FGTMMUONSA-N 2 1 304.478 3.351 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1N1CCCC1)CC[NH2+]CC2 ZINC001331896394 1178299853 /nfs/dbraw/zinc/29/98/53/1178299853.db2.gz YOSHFMFFWARHCH-KRWDZBQOSA-N 2 1 313.489 3.251 20 0 DGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cc(F)cc(F)c1 ZINC001332314505 1178416832 /nfs/dbraw/zinc/41/68/32/1178416832.db2.gz ZCIHAJMZXLDIFL-UHFFFAOYSA-N 2 1 308.397 3.304 20 0 DGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cc(F)cc(F)c1 ZINC001332314505 1178416835 /nfs/dbraw/zinc/41/68/35/1178416835.db2.gz ZCIHAJMZXLDIFL-UHFFFAOYSA-N 2 1 308.397 3.304 20 0 DGADMP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])sc2C1 ZINC001332556648 1178461927 /nfs/dbraw/zinc/46/19/27/1178461927.db2.gz RKMLDECRMAFHLW-UMVBOHGHSA-N 2 1 307.507 3.217 20 0 DGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])sc2C1 ZINC001332556648 1178461931 /nfs/dbraw/zinc/46/19/31/1178461931.db2.gz RKMLDECRMAFHLW-UMVBOHGHSA-N 2 1 307.507 3.217 20 0 DGADMP COC/C(C)=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001332917901 1178521684 /nfs/dbraw/zinc/52/16/84/1178521684.db2.gz BQMNWABWSCSURU-ZZNNEJIXSA-N 2 1 302.462 3.079 20 0 DGADMP COCC[N@H+](Cc1cccc2ccoc21)CC1CC[NH+](C)CC1 ZINC001332999854 1178538459 /nfs/dbraw/zinc/53/84/59/1178538459.db2.gz IKFIWFNUARSUBG-UHFFFAOYSA-N 2 1 316.445 3.223 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4cc(F)ccc4o3)C[C@@H]2C1 ZINC001333840504 1178683014 /nfs/dbraw/zinc/68/30/14/1178683014.db2.gz GKIPUMPLVAESKO-VNHYZAJKSA-N 2 1 317.408 3.129 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@H]2C1 ZINC001333892436 1178691849 /nfs/dbraw/zinc/69/18/49/1178691849.db2.gz RGIVBYGZSRWXJM-BZUAXINKSA-N 2 1 324.415 3.450 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(Cl)c(F)c3)C[C@@H]2C1 ZINC001333892998 1178691919 /nfs/dbraw/zinc/69/19/19/1178691919.db2.gz WHTAWSDRCSFQJF-MELADBBJSA-N 2 1 311.832 3.036 20 0 DGADMP COC[C@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)C(C)C ZINC001334889008 1178823801 /nfs/dbraw/zinc/82/38/01/1178823801.db2.gz WCRVPTWUYPUDSI-INIZCTEOSA-N 2 1 306.450 3.152 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@@H]2C1 ZINC001335133561 1178857675 /nfs/dbraw/zinc/85/76/75/1178857675.db2.gz JCRPEGQQAHXWIS-MBNYWOFBSA-N 2 1 312.379 3.266 20 0 DGADMP Clc1ccccc1NC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC001335190338 1178866881 /nfs/dbraw/zinc/86/68/81/1178866881.db2.gz PCXVTAQFTNXSDF-UHFFFAOYSA-N 2 1 307.869 3.358 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001335209814 1178871065 /nfs/dbraw/zinc/87/10/65/1178871065.db2.gz DUCDGMUNOMTSJK-LMMKCTJWSA-N 2 1 301.478 3.114 20 0 DGADMP C[C@H]1C[C@H](CC[N@H+]2CC[NH2+]CCC23CCOCC3)C[C@@H](C)C1 ZINC001335332163 1178894935 /nfs/dbraw/zinc/89/49/35/1178894935.db2.gz WWCHIMVQUSGHFT-PIIMJCKOSA-N 2 1 308.510 3.293 20 0 DGADMP COCCCC1(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)CCC1 ZINC001335483866 1178918734 /nfs/dbraw/zinc/91/87/34/1178918734.db2.gz SEDNATWXQQEVRK-QGZVFWFLSA-N 2 1 319.493 3.272 20 0 DGADMP CC[C@H](NC[C@@H]1CCC[N@@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521129 1178925935 /nfs/dbraw/zinc/92/59/35/1178925935.db2.gz LKGIUKSJUHXUBO-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cccc(OC)c1OC ZINC001335521129 1178925936 /nfs/dbraw/zinc/92/59/36/1178925936.db2.gz LKGIUKSJUHXUBO-RDJZCZTQSA-N 2 1 320.477 3.476 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001335582344 1178933384 /nfs/dbraw/zinc/93/33/84/1178933384.db2.gz LBARRRXIBLDPQS-FGTMMUONSA-N 2 1 309.457 3.397 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC001342092172 1179103278 /nfs/dbraw/zinc/10/32/78/1179103278.db2.gz CFGSFWDCAZIONS-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187807 1179242165 /nfs/dbraw/zinc/24/21/65/1179242165.db2.gz IZTGXIZKKZVSRZ-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187807 1179242171 /nfs/dbraw/zinc/24/21/71/1179242171.db2.gz IZTGXIZKKZVSRZ-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187807 1179242178 /nfs/dbraw/zinc/24/21/78/1179242178.db2.gz IZTGXIZKKZVSRZ-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187807 1179242184 /nfs/dbraw/zinc/24/21/84/1179242184.db2.gz IZTGXIZKKZVSRZ-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)C1 ZINC001343187807 1179242196 /nfs/dbraw/zinc/24/21/96/1179242196.db2.gz IZTGXIZKKZVSRZ-FQEVSTJZSA-N 2 1 323.440 3.402 20 0 DGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC001349320974 1179892395 /nfs/dbraw/zinc/89/23/95/1179892395.db2.gz XQPVAQULRYNZSA-HIFRSBDPSA-N 2 1 322.522 3.001 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC001351989694 1180274127 /nfs/dbraw/zinc/27/41/27/1180274127.db2.gz HFSUJAPKTXHQDQ-KSSFIOAISA-N 2 1 311.429 3.164 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352113921 1180299228 /nfs/dbraw/zinc/29/92/28/1180299228.db2.gz VPFFEHAVGASBKE-AAAKVMDASA-N 2 1 314.473 3.371 20 0 DGADMP N[C@H](c1noc([C@H]([NH3+])C2CCCCCC2)n1)c1ccccc1 ZINC001352141081 1180301361 /nfs/dbraw/zinc/30/13/61/1180301361.db2.gz GVFJDTGLLBDCQY-LSDHHAIUSA-N 2 1 300.406 3.088 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[NH+](C)C1 ZINC001200356977 1180572463 /nfs/dbraw/zinc/57/24/63/1180572463.db2.gz ZCQWHMQSHMMHKT-LJQANCHMSA-N 2 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[N@H+](C)C1 ZINC001200356977 1180572477 /nfs/dbraw/zinc/57/24/77/1180572477.db2.gz ZCQWHMQSHMMHKT-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[N@@H+](C)C1 ZINC001200356977 1180572482 /nfs/dbraw/zinc/57/24/82/1180572482.db2.gz ZCQWHMQSHMMHKT-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[NH+](C)C1 ZINC001200356977 1180572486 /nfs/dbraw/zinc/57/24/86/1180572486.db2.gz ZCQWHMQSHMMHKT-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[NH+](C)C1 ZINC001200356977 1180572490 /nfs/dbraw/zinc/57/24/90/1180572490.db2.gz ZCQWHMQSHMMHKT-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001200356977 1180572494 /nfs/dbraw/zinc/57/24/94/1180572494.db2.gz ZCQWHMQSHMMHKT-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001200356977 1180572499 /nfs/dbraw/zinc/57/24/99/1180572499.db2.gz ZCQWHMQSHMMHKT-LJQANCHMSA-N 3 1 317.521 3.076 20 0 DGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001354461334 1180802286 /nfs/dbraw/zinc/80/22/86/1180802286.db2.gz WTPXFHBRTWWCMV-DLBZAZTESA-N 2 1 317.477 3.166 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc(Cl)n1 ZINC001355372993 1181045681 /nfs/dbraw/zinc/04/56/81/1181045681.db2.gz HURLYIBMJSPDOI-XHSDSOJGSA-N 2 1 307.869 3.206 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@@H]2C1 ZINC001355374426 1181047039 /nfs/dbraw/zinc/04/70/39/1181047039.db2.gz TYBCSMDKECZZNM-ZIFCJYIRSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001355374426 1181047047 /nfs/dbraw/zinc/04/70/47/1181047047.db2.gz TYBCSMDKECZZNM-ZIFCJYIRSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001355374426 1181047054 /nfs/dbraw/zinc/04/70/54/1181047054.db2.gz TYBCSMDKECZZNM-ZIFCJYIRSA-N 2 1 324.472 3.239 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)C[C@H]2C1 ZINC001355373720 1181047538 /nfs/dbraw/zinc/04/75/38/1181047538.db2.gz QLJGATWYSYHWIN-IACUBPJLSA-N 2 1 312.379 3.266 20 0 DGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC001356623023 1181224875 /nfs/dbraw/zinc/22/48/75/1181224875.db2.gz WOXIFAHFHCHQQD-YJBOKZPZSA-N 2 1 322.880 3.085 20 0 DGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c(Br)cccc23)C1 ZINC001580265620 1182066408 /nfs/dbraw/zinc/06/64/08/1182066408.db2.gz NLNMVDOTDFPPHW-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c(Br)cccc23)C1 ZINC001580265620 1182066415 /nfs/dbraw/zinc/06/64/15/1182066415.db2.gz NLNMVDOTDFPPHW-LBPRGKRZSA-N 2 1 319.246 3.383 20 0 DGADMP CC[NH+](CC)CCN(CC[C@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC001459602863 1182597009 /nfs/dbraw/zinc/59/70/09/1182597009.db2.gz NUSZSNNKYIDRQZ-OAHLLOKOSA-N 2 1 323.447 3.067 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC001459746108 1182611828 /nfs/dbraw/zinc/61/18/28/1182611828.db2.gz CNQPRIZVOYNGDE-RBUKOAKNSA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC001459746108 1182611832 /nfs/dbraw/zinc/61/18/32/1182611832.db2.gz CNQPRIZVOYNGDE-RBUKOAKNSA-N 2 1 306.494 3.031 20 0 DGADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC001459746108 1182611833 /nfs/dbraw/zinc/61/18/33/1182611833.db2.gz CNQPRIZVOYNGDE-RBUKOAKNSA-N 2 1 306.494 3.031 20 0 DGADMP Cc1ccc(SCC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1C ZINC001460608842 1182699472 /nfs/dbraw/zinc/69/94/72/1182699472.db2.gz XGTTVAONQZCWJD-SJORKVTESA-N 2 1 304.503 3.279 20 0 DGADMP Cc1ccc(SCC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C ZINC001460608842 1182699476 /nfs/dbraw/zinc/69/94/76/1182699476.db2.gz XGTTVAONQZCWJD-SJORKVTESA-N 2 1 304.503 3.279 20 0 DGADMP Cc1ccc(SCC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C ZINC001460608842 1182699481 /nfs/dbraw/zinc/69/94/81/1182699481.db2.gz XGTTVAONQZCWJD-SJORKVTESA-N 2 1 304.503 3.279 20 0 DGADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746623 1182716935 /nfs/dbraw/zinc/71/69/35/1182716935.db2.gz JECFSHVIZFBADM-AFYVEPGGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746623 1182716938 /nfs/dbraw/zinc/71/69/38/1182716938.db2.gz JECFSHVIZFBADM-AFYVEPGGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)O1 ZINC001460746623 1182716944 /nfs/dbraw/zinc/71/69/44/1182716944.db2.gz JECFSHVIZFBADM-AFYVEPGGSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc3c2CCOC3)C1 ZINC001461047217 1182761305 /nfs/dbraw/zinc/76/13/05/1182761305.db2.gz RULZXXPVWMHWDT-CALCHBBNSA-N 2 1 316.489 3.217 20 0 DGADMP COc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001461177903 1182778091 /nfs/dbraw/zinc/77/80/91/1182778091.db2.gz KMVJKVPXXHFUGL-UHFFFAOYSA-N 2 1 313.445 3.224 20 0 DGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC001461258067 1182787211 /nfs/dbraw/zinc/78/72/11/1182787211.db2.gz RVSDFWLNKYBRMC-ROUUACIJSA-N 2 1 310.445 3.106 20 0 DGADMP CC(C)Cc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC001461423733 1182811245 /nfs/dbraw/zinc/81/12/45/1182811245.db2.gz JWWVCZXWXUCXDR-UHFFFAOYSA-N 2 1 303.494 3.492 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC001461662583 1182838415 /nfs/dbraw/zinc/83/84/15/1182838415.db2.gz LQUDNFNVWMWSIR-UHFFFAOYSA-N 2 1 317.339 3.291 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCCCCCC2)C1 ZINC001462084124 1182906283 /nfs/dbraw/zinc/90/62/83/1182906283.db2.gz KOODKHCAGTZNAE-FQEVSTJZSA-N 2 1 316.489 3.456 20 0 DGADMP COc1ccc(SCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001462228186 1182926594 /nfs/dbraw/zinc/92/65/94/1182926594.db2.gz WLWMEJFELGNLAX-XYPWUTKMSA-N 2 1 320.502 3.344 20 0 DGADMP COc1ccc(SCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001462228186 1182926599 /nfs/dbraw/zinc/92/65/99/1182926599.db2.gz WLWMEJFELGNLAX-XYPWUTKMSA-N 2 1 320.502 3.344 20 0 DGADMP COc1ccc(SCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001462228186 1182926604 /nfs/dbraw/zinc/92/66/04/1182926604.db2.gz WLWMEJFELGNLAX-XYPWUTKMSA-N 2 1 320.502 3.344 20 0 DGADMP Cc1ccc(CC[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001462368313 1182943287 /nfs/dbraw/zinc/94/32/87/1182943287.db2.gz RSCTUVBYWMWCPU-RTWAWAEBSA-N 2 1 308.469 3.473 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)CC1 ZINC001462616347 1182976395 /nfs/dbraw/zinc/97/63/95/1182976395.db2.gz GVBLUQOMRMBVAC-FQEVSTJZSA-N 2 1 312.457 3.269 20 0 DGADMP COc1c(C)c[nH+]c(CN2CCC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC001462664662 1182981733 /nfs/dbraw/zinc/98/17/33/1182981733.db2.gz ITDFQNDSTSJHBG-UHFFFAOYSA-N 2 1 305.466 3.060 20 0 DGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001462666328 1182983331 /nfs/dbraw/zinc/98/33/31/1182983331.db2.gz MBBSFCQCCZHJBT-YTQUADARSA-N 2 1 306.494 3.046 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001468889862 1183366153 /nfs/dbraw/zinc/36/61/53/1183366153.db2.gz PWQYBVUYRPFOSO-QGZVFWFLSA-N 2 1 317.477 3.116 20 0 DGADMP COC[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001473190264 1183727300 /nfs/dbraw/zinc/72/73/00/1183727300.db2.gz OJZIWRFAUVLYKI-VQTJNVASSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001473190264 1183727303 /nfs/dbraw/zinc/72/73/03/1183727303.db2.gz OJZIWRFAUVLYKI-VQTJNVASSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001473190264 1183727306 /nfs/dbraw/zinc/72/73/06/1183727306.db2.gz OJZIWRFAUVLYKI-VQTJNVASSA-N 2 1 318.505 3.359 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC001473333389 1183745397 /nfs/dbraw/zinc/74/53/97/1183745397.db2.gz ZQZIPVRWNCDHAZ-HKUYNNGSSA-N 2 1 306.494 3.373 20 0 DGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC001473333389 1183745400 /nfs/dbraw/zinc/74/54/00/1183745400.db2.gz ZQZIPVRWNCDHAZ-HKUYNNGSSA-N 2 1 306.494 3.373 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634881 1183783867 /nfs/dbraw/zinc/78/38/67/1183783867.db2.gz WWQLWEPAWYMWBM-SJLPKXTDSA-N 2 1 324.896 3.050 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634881 1183783870 /nfs/dbraw/zinc/78/38/70/1183783870.db2.gz WWQLWEPAWYMWBM-SJLPKXTDSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634881 1183783876 /nfs/dbraw/zinc/78/38/76/1183783876.db2.gz WWQLWEPAWYMWBM-SJLPKXTDSA-N 2 1 324.896 3.050 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001473634881 1183783880 /nfs/dbraw/zinc/78/38/80/1183783880.db2.gz WWQLWEPAWYMWBM-SJLPKXTDSA-N 2 1 324.896 3.050 20 0 DGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)CC1 ZINC001473716783 1183793062 /nfs/dbraw/zinc/79/30/62/1183793062.db2.gz LLEBHWRPFRPBTF-UXHICEINSA-N 2 1 316.489 3.306 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474028326 1183853614 /nfs/dbraw/zinc/85/36/14/1183853614.db2.gz NNMMASBWILTQLV-HZPDHXFCSA-N 2 1 306.498 3.217 20 0 DGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001474029493 1183854238 /nfs/dbraw/zinc/85/42/38/1183854238.db2.gz VMZQTOZOJMEWTM-JKSUJKDBSA-N 2 1 317.408 3.042 20 0 DGADMP FC1(F)[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC001474259115 1183891771 /nfs/dbraw/zinc/89/17/71/1183891771.db2.gz YWTJQVQQKRONKR-YLFCFFPRSA-N 2 1 306.400 3.252 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC001474301365 1183899368 /nfs/dbraw/zinc/89/93/68/1183899368.db2.gz KBYNRGOUKWULQH-CFVMTHIKSA-N 2 1 314.351 3.015 20 0 DGADMP CCOC(=O)C1(C)CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001474480001 1183928784 /nfs/dbraw/zinc/92/87/84/1183928784.db2.gz NBZNQZGXOCAPGU-URSIVYNOSA-N 2 1 322.493 3.105 20 0 DGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1Cc2ccccc2C1 ZINC001474647810 1183956180 /nfs/dbraw/zinc/95/61/80/1183956180.db2.gz UYEYSODTSWGXHT-UZLBHIALSA-N 2 1 300.490 3.454 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1Cc2ccccc2C1 ZINC001474647809 1183956240 /nfs/dbraw/zinc/95/62/40/1183956240.db2.gz UYEYSODTSWGXHT-OXQOHEQNSA-N 2 1 300.490 3.454 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1CCSCC1 ZINC001474662003 1183956896 /nfs/dbraw/zinc/95/68/96/1183956896.db2.gz AGEOXYKWGIBPGX-LPHOPBHVSA-N 2 1 318.530 3.487 20 0 DGADMP C[NH+](C)C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C[NH+](C)C ZINC001474665254 1183958483 /nfs/dbraw/zinc/95/84/83/1183958483.db2.gz XQPVTXLLPLGAEI-RTBURBONSA-N 3 1 309.542 3.018 20 0 DGADMP CCOCOc1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC001474754683 1183973897 /nfs/dbraw/zinc/97/38/97/1183973897.db2.gz AXGIIBCSJVTBKP-UHFFFAOYSA-N 2 1 320.477 3.412 20 0 DGADMP CCOCOc1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC001474754683 1183973898 /nfs/dbraw/zinc/97/38/98/1183973898.db2.gz AXGIIBCSJVTBKP-UHFFFAOYSA-N 2 1 320.477 3.412 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001479729056 1184302861 /nfs/dbraw/zinc/30/28/61/1184302861.db2.gz GVKMFKBZLNFOFQ-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001479729056 1184302869 /nfs/dbraw/zinc/30/28/69/1184302869.db2.gz GVKMFKBZLNFOFQ-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001479729056 1184302874 /nfs/dbraw/zinc/30/28/74/1184302874.db2.gz GVKMFKBZLNFOFQ-SQNIBIBYSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC001479852555 1184350711 /nfs/dbraw/zinc/35/07/11/1184350711.db2.gz LKOOLEYYLZIQSH-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001479852555 1184350715 /nfs/dbraw/zinc/35/07/15/1184350715.db2.gz LKOOLEYYLZIQSH-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001479852555 1184350719 /nfs/dbraw/zinc/35/07/19/1184350719.db2.gz LKOOLEYYLZIQSH-SFHVURJKSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001480526503 1184542420 /nfs/dbraw/zinc/54/24/20/1184542420.db2.gz QEYRNXVPQNMBFD-FUHWJXTLSA-N 2 1 323.525 3.068 20 0 DGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494271933 1184841533 /nfs/dbraw/zinc/84/15/33/1184841533.db2.gz YKWQOPVJXYCUNM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494271933 1184841536 /nfs/dbraw/zinc/84/15/36/1184841536.db2.gz YKWQOPVJXYCUNM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001494271933 1184841539 /nfs/dbraw/zinc/84/15/39/1184841539.db2.gz YKWQOPVJXYCUNM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001507322098 1186389589 /nfs/dbraw/zinc/38/95/89/1186389589.db2.gz PUAZJEVQKXNALE-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP CC(C)[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCO1 ZINC001549180339 1186699945 /nfs/dbraw/zinc/69/99/45/1186699945.db2.gz QLFOSMNBOGLAAD-WDSOQIARSA-N 2 1 308.510 3.149 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@H+](CC4CC4)C3)c12 ZINC001612661514 1193458741 /nfs/dbraw/zinc/45/87/41/1193458741.db2.gz IPZGKSJLMOQTQQ-AWEZNQCLSA-N 2 1 313.449 3.006 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)c12 ZINC001612661514 1193458743 /nfs/dbraw/zinc/45/87/43/1193458743.db2.gz IPZGKSJLMOQTQQ-AWEZNQCLSA-N 2 1 313.449 3.006 20 0 DGADMP C([C@H]1CC[N@H+](C[C@H]2CCCC23CCOCC3)C1)[NH+]1CCCCC1 ZINC001615543525 1193523667 /nfs/dbraw/zinc/52/36/67/1193523667.db2.gz KVLAQURATYVRFK-RTBURBONSA-N 2 1 320.521 3.391 20 0 DGADMP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001616739237 1193546102 /nfs/dbraw/zinc/54/61/02/1193546102.db2.gz WTJFBIHQLCUXBQ-MSOLQXFVSA-N 2 1 306.494 3.373 20 0 DGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545231209 1188425781 /nfs/dbraw/zinc/42/57/81/1188425781.db2.gz CFMDLAIHVQTWPF-QGZVFWFLSA-N 2 1 317.477 3.116 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC001617237536 1193563481 /nfs/dbraw/zinc/56/34/81/1193563481.db2.gz XPLLGSHBCMSUAW-IBGZPJMESA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC001617237536 1193563483 /nfs/dbraw/zinc/56/34/83/1193563483.db2.gz XPLLGSHBCMSUAW-IBGZPJMESA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+]1C[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001549034455 1188487794 /nfs/dbraw/zinc/48/77/94/1188487794.db2.gz SMNTXYGITCWKQU-IPMKNSEASA-N 2 1 314.473 3.023 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC001549087489 1188492881 /nfs/dbraw/zinc/49/28/81/1188492881.db2.gz MZGVGFBPCYZTSY-RHSMWYFYSA-N 2 1 305.491 3.362 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC001549087489 1188492884 /nfs/dbraw/zinc/49/28/84/1188492884.db2.gz MZGVGFBPCYZTSY-RHSMWYFYSA-N 2 1 305.491 3.362 20 0 DGADMP COc1ccc2oc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)cc2c1 ZINC001549088326 1188493410 /nfs/dbraw/zinc/49/34/10/1188493410.db2.gz QLKPDKMPTYBXPY-KBXCAEBGSA-N 2 1 300.402 3.002 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC001549087672 1188493706 /nfs/dbraw/zinc/49/37/06/1188493706.db2.gz VYTITMVNOZVBFJ-IVDHNXQLSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)cc2)n1 ZINC001549115407 1188495907 /nfs/dbraw/zinc/49/59/07/1188495907.db2.gz FSEPIGXIHOGJFX-QUCCMNQESA-N 2 1 324.472 3.050 20 0 DGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC001549118120 1188497223 /nfs/dbraw/zinc/49/72/23/1188497223.db2.gz VUCZUBNASSOAAW-YLJYHZDGSA-N 2 1 323.440 3.435 20 0 DGADMP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC001549710518 1188535298 /nfs/dbraw/zinc/53/52/98/1188535298.db2.gz WNFMHQRBZPHUQD-KGLIPLIRSA-N 2 1 313.367 3.064 20 0 DGADMP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC001549710518 1188535301 /nfs/dbraw/zinc/53/53/01/1188535301.db2.gz WNFMHQRBZPHUQD-KGLIPLIRSA-N 2 1 313.367 3.064 20 0 DGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@H]2C[C@@H]2[NH3+])cc1)c1ccccc1 ZINC001550099706 1188580864 /nfs/dbraw/zinc/58/08/64/1188580864.db2.gz SPPJRJJYJYXAQO-QYZOEREBSA-N 2 1 323.440 3.133 20 0 DGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@H]2C[C@@H]2[NH3+])cc1)c1ccccc1 ZINC001550099706 1188580866 /nfs/dbraw/zinc/58/08/66/1188580866.db2.gz SPPJRJJYJYXAQO-QYZOEREBSA-N 2 1 323.440 3.133 20 0 DGADMP C[C@H]1[C@H](c2cccc(Cl)c2)OCC[N@@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175381 1188590714 /nfs/dbraw/zinc/59/07/14/1188590714.db2.gz PSIFRIKFDFTLIH-WGEBEKNLSA-N 2 1 320.864 3.231 20 0 DGADMP C[C@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CC12CC(C[NH3+])(C1)C2 ZINC001550175381 1188590718 /nfs/dbraw/zinc/59/07/18/1188590718.db2.gz PSIFRIKFDFTLIH-WGEBEKNLSA-N 2 1 320.864 3.231 20 0 DGADMP CC1(C)C[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)C(C)(C)O1 ZINC001550175417 1188591024 /nfs/dbraw/zinc/59/10/24/1188591024.db2.gz PGMIBHOIHWLJPD-DJIMGWMZSA-N 2 1 320.452 3.146 20 0 DGADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)C(C)(C)O1 ZINC001550175417 1188591027 /nfs/dbraw/zinc/59/10/27/1188591027.db2.gz PGMIBHOIHWLJPD-DJIMGWMZSA-N 2 1 320.452 3.146 20 0 DGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[C@H]3CCC[N@H+]3C)ccc21 ZINC001550318830 1188603565 /nfs/dbraw/zinc/60/35/65/1188603565.db2.gz NRPTUXMUIGIXBZ-AEFFLSMTSA-N 2 1 315.461 3.048 20 0 DGADMP CC[C@H](C)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001550350644 1188608796 /nfs/dbraw/zinc/60/87/96/1188608796.db2.gz FMJFOXAOWMCUHY-MKOCOSAPSA-N 2 1 322.537 3.271 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3C[C@H]4CCC[C@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550351390 1188608921 /nfs/dbraw/zinc/60/89/21/1188608921.db2.gz KEPUCELXDBETEE-YBRIYBKASA-N 2 1 320.521 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)C3CCCC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550351537 1188608943 /nfs/dbraw/zinc/60/89/43/1188608943.db2.gz DKABENFDJJHGBP-HXFGRODQSA-N 2 1 308.510 3.025 20 0 DGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001550349532 1188609076 /nfs/dbraw/zinc/60/90/76/1188609076.db2.gz QDZHWAPGTCYOPE-QZWWFDLISA-N 2 1 306.400 3.096 20 0 DGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550351179 1188609112 /nfs/dbraw/zinc/60/91/12/1188609112.db2.gz JEHWIEQPBXHNDC-ZMHJYQQXSA-N 2 1 316.489 3.125 20 0 DGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001550350991 1188609193 /nfs/dbraw/zinc/60/91/93/1188609193.db2.gz HMWTXWNFWQWMPM-ZMMAXQRCSA-N 2 1 308.510 3.025 20 0 DGADMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC001550350216 1188609241 /nfs/dbraw/zinc/60/92/41/1188609241.db2.gz LEBYSHLARRNTMJ-HIFRSBDPSA-N 2 1 313.470 3.296 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3ccc(C)o3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550350811 1188609331 /nfs/dbraw/zinc/60/93/31/1188609331.db2.gz AFVPJVMAQCKXKN-VYDRJQSISA-N 2 1 320.477 3.108 20 0 DGADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]C3CCCCCC3)C2)[C@@H]1C(C)C ZINC001550356872 1188609727 /nfs/dbraw/zinc/60/97/27/1188609727.db2.gz YUTMSRDCYSBBMA-VJANTYMQSA-N 2 1 308.510 3.169 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCC[C@@H](C)C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353598 1188610131 /nfs/dbraw/zinc/61/01/31/1188610131.db2.gz MGNFYDOJQXLHPV-KSCVBYKOSA-N 2 1 308.510 3.025 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@H]4C[N@H+](C)CC[C@@H]4C3)o2)cc1 ZINC001550541789 1188622513 /nfs/dbraw/zinc/62/25/13/1188622513.db2.gz FIDNFWNOOYZSNK-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[NH+]3C[C@H]4C[N@@H+](C)CC[C@@H]4C3)o2)cc1 ZINC001550541789 1188622515 /nfs/dbraw/zinc/62/25/15/1188622515.db2.gz FIDNFWNOOYZSNK-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)o2)cc1 ZINC001550541789 1188622517 /nfs/dbraw/zinc/62/25/17/1188622517.db2.gz FIDNFWNOOYZSNK-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccc(-c2cnc(C[N@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)o2)cc1 ZINC001550541789 1188622519 /nfs/dbraw/zinc/62/25/19/1188622519.db2.gz FIDNFWNOOYZSNK-IAGOWNOFSA-N 2 1 311.429 3.034 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@]34CCC[C@H]3OCC4)CC[NH2+]2)cc1 ZINC001550943789 1188672835 /nfs/dbraw/zinc/67/28/35/1188672835.db2.gz QDAKHLPPVMXPJW-HCXYKTFWSA-N 2 1 300.446 3.029 20 0 DGADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001550953077 1188674963 /nfs/dbraw/zinc/67/49/63/1188674963.db2.gz VNQBGKYOJHGTTF-OAGGEKHMSA-N 2 1 303.450 3.138 20 0 DGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[C@@H]1O ZINC001552286539 1188830678 /nfs/dbraw/zinc/83/06/78/1188830678.db2.gz UKFJAATWKXVDCB-OALUTQOASA-N 2 1 302.462 3.018 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@]34CCCO4)CC[NH2+]2)cc1 ZINC001552311893 1188835738 /nfs/dbraw/zinc/83/57/38/1188835738.db2.gz ASZNFBLJUFCLQQ-FCGDIQPGSA-N 2 1 300.446 3.171 20 0 DGADMP COc1cccc(C2CC([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC001553026710 1188890993 /nfs/dbraw/zinc/89/09/93/1188890993.db2.gz AKZYCQFAJOJSCJ-LEOMRAHMSA-N 2 1 300.446 3.206 20 0 DGADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2cncn2C)C1 ZINC001553864760 1188952295 /nfs/dbraw/zinc/95/22/95/1188952295.db2.gz XXXXDIACHQFWCV-OAHLLOKOSA-N 2 1 321.428 3.051 20 0 DGADMP CC(C)[C@@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689299 1189231595 /nfs/dbraw/zinc/23/15/95/1189231595.db2.gz MBWUZJQHDQADHN-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001559689299 1189231598 /nfs/dbraw/zinc/23/15/98/1189231598.db2.gz MBWUZJQHDQADHN-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001559689299 1189231601 /nfs/dbraw/zinc/23/16/01/1189231601.db2.gz MBWUZJQHDQADHN-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001559689299 1189231604 /nfs/dbraw/zinc/23/16/04/1189231604.db2.gz MBWUZJQHDQADHN-PMACEKPBSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CCC(C)(C)C ZINC001559828071 1189246399 /nfs/dbraw/zinc/24/63/99/1189246399.db2.gz DSWQJEYIHXOZMT-UHFFFAOYSA-N 2 1 317.521 3.172 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCC[C@H]2O)CC1 ZINC001560068349 1189274740 /nfs/dbraw/zinc/27/47/40/1189274740.db2.gz BQJYZESZMIZFLS-GBESFXJTSA-N 2 1 308.510 3.124 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC001560217298 1189291923 /nfs/dbraw/zinc/29/19/23/1189291923.db2.gz HTVHNQAJDBDIIU-UFYCRDLUSA-N 2 1 321.553 3.444 20 0 DGADMP CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001560222220 1189293339 /nfs/dbraw/zinc/29/33/39/1189293339.db2.gz WJVMVCOKHAGRKN-MOPGFXCFSA-N 2 1 302.462 3.282 20 0 DGADMP CC[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001560320199 1189310990 /nfs/dbraw/zinc/31/09/90/1189310990.db2.gz QQAZKLNTXMSHGM-IBGZPJMESA-N 2 1 317.521 3.043 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001560514013 1189334851 /nfs/dbraw/zinc/33/48/51/1189334851.db2.gz JKHYVHWEQNVASU-AEFFLSMTSA-N 2 1 316.395 3.400 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001560514013 1189334854 /nfs/dbraw/zinc/33/48/54/1189334854.db2.gz JKHYVHWEQNVASU-AEFFLSMTSA-N 2 1 316.395 3.400 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC001560622665 1189350443 /nfs/dbraw/zinc/35/04/43/1189350443.db2.gz MCPFQGAXSNQZLT-NSHGMRRFSA-N 2 1 307.441 3.178 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)CC1 ZINC001560631785 1189352967 /nfs/dbraw/zinc/35/29/67/1189352967.db2.gz LADJIURCHFFQSS-LJQANCHMSA-N 2 1 314.473 3.456 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc3scnc3c2)C1 ZINC001560665619 1189356737 /nfs/dbraw/zinc/35/67/37/1189356737.db2.gz DUNBXOWMDHAVPD-INIZCTEOSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560665619 1189356742 /nfs/dbraw/zinc/35/67/42/1189356742.db2.gz DUNBXOWMDHAVPD-INIZCTEOSA-N 2 1 315.486 3.460 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560665619 1189356745 /nfs/dbraw/zinc/35/67/45/1189356745.db2.gz DUNBXOWMDHAVPD-INIZCTEOSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001560665619 1189356748 /nfs/dbraw/zinc/35/67/48/1189356748.db2.gz DUNBXOWMDHAVPD-INIZCTEOSA-N 2 1 315.486 3.460 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001560665619 1189356753 /nfs/dbraw/zinc/35/67/53/1189356753.db2.gz DUNBXOWMDHAVPD-INIZCTEOSA-N 2 1 315.486 3.460 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001560690566 1189360494 /nfs/dbraw/zinc/36/04/94/1189360494.db2.gz YEUSGVXHDJBRIN-INIZCTEOSA-N 2 1 317.477 3.264 20 0 DGADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2F)CCN1c1cc[nH+]cc1 ZINC001560986577 1189415614 /nfs/dbraw/zinc/41/56/14/1189415614.db2.gz HNJGPHHSDIDSGN-CQSZACIVSA-N 2 1 317.383 3.113 20 0 DGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001566425430 1189769791 /nfs/dbraw/zinc/76/97/91/1189769791.db2.gz QNBNHSPKSDIQOC-SFHVURJKSA-N 2 1 317.477 3.116 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001570374267 1190846872 /nfs/dbraw/zinc/84/68/72/1190846872.db2.gz MARGIHLPJMBQJB-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[N@@H+](CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001620763802 1191444022 /nfs/dbraw/zinc/44/40/22/1191444022.db2.gz MDSDIGVSWLTWTE-LJQANCHMSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001620763802 1191444023 /nfs/dbraw/zinc/44/40/23/1191444023.db2.gz MDSDIGVSWLTWTE-LJQANCHMSA-N 2 1 317.521 3.359 20 0 DGADMP CC[NH+](CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001620763802 1191444024 /nfs/dbraw/zinc/44/40/24/1191444024.db2.gz MDSDIGVSWLTWTE-LJQANCHMSA-N 2 1 317.521 3.359 20 0 DGADMP Brc1ccccc1C[C@@H]1CCC[N@H+]1CCC1C[NH2+]C1 ZINC001574447829 1191444516 /nfs/dbraw/zinc/44/45/16/1191444516.db2.gz DMBZYBSDRBOSLS-HNNXBMFYSA-N 2 1 323.278 3.066 20 0 DGADMP C=C/C=C\CCN[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC001574889161 1191455794 /nfs/dbraw/zinc/45/57/94/1191455794.db2.gz OINAEKDHWNUXFK-DSQZMVHQSA-N 2 1 300.446 3.253 20 0 DGADMP CC(C)(C)Oc1ccc(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001575258357 1191470903 /nfs/dbraw/zinc/47/09/03/1191470903.db2.gz IHYGIUSOFUNMQF-GFCCVEGCSA-N 2 1 304.356 3.233 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC001575593626 1191495165 /nfs/dbraw/zinc/49/51/65/1191495165.db2.gz OAKKUFUCGDHDDQ-RBUKOAKNSA-N 2 1 322.468 3.207 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC001575656380 1191500759 /nfs/dbraw/zinc/50/07/59/1191500759.db2.gz XVKCZTALSBEOMN-MJGOQNOKSA-N 2 1 301.478 3.244 20 0 DGADMP C[C@@H](C[NH2+]CCCCC[NH+]1CCNCC1)CC1CCCCC1 ZINC001576032437 1191523071 /nfs/dbraw/zinc/52/30/71/1191523071.db2.gz CWFMTVBRBFFYDN-GOSISDBHSA-N 2 1 309.542 3.258 20 0 DGADMP CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001576461508 1191813219 /nfs/dbraw/zinc/81/32/19/1191813219.db2.gz WHDNBWCQZPHRDT-OAHLLOKOSA-N 2 1 321.896 3.240 20 0 DGADMP COc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C ZINC001620724015 1193795008 /nfs/dbraw/zinc/79/50/08/1193795008.db2.gz CSWNBZQUNDBQBK-IYBDPMFKSA-N 2 1 304.478 3.461 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CCOCC2)C1 ZINC001620723251 1193795376 /nfs/dbraw/zinc/79/53/76/1193795376.db2.gz VOTBQMJHXPXVEJ-CALCHBBNSA-N 2 1 316.489 3.433 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001621107827 1193802964 /nfs/dbraw/zinc/80/29/64/1193802964.db2.gz ANGNFEPLHVXKCA-FVQBIDKESA-N 2 1 323.278 3.187 20 0 DGADMP Fc1cccnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001621162256 1193811375 /nfs/dbraw/zinc/81/13/75/1193811375.db2.gz PPJJKEOGJGIDOF-UHFFFAOYSA-N 2 1 305.441 3.309 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001621573864 1193860953 /nfs/dbraw/zinc/86/09/53/1193860953.db2.gz UVYHPPFTEWNVKO-CQSZACIVSA-N 2 1 323.481 3.135 20 0 DGADMP CC1(C)CCC[N@@H+](CCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC001639845514 1194784297 /nfs/dbraw/zinc/78/42/97/1194784297.db2.gz HTVUMCCBTVTUFA-UHFFFAOYSA-N 2 1 301.356 3.056 20 0 DGADMP CC[NH+](CC)CCN(Cc1[nH]c(C)[nH+]c1C)Cc1ccccc1 ZINC001641963464 1194881337 /nfs/dbraw/zinc/88/13/37/1194881337.db2.gz BZVYXIONXXSXQN-UHFFFAOYSA-N 2 1 314.477 3.371 20 0 DGADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001644038679 1195075039 /nfs/dbraw/zinc/07/50/39/1195075039.db2.gz JESCNXALAOSVEL-ZSHCYNCHSA-N 2 1 312.379 3.130 20 0 DGADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001644038679 1195075045 /nfs/dbraw/zinc/07/50/45/1195075045.db2.gz JESCNXALAOSVEL-ZSHCYNCHSA-N 2 1 312.379 3.130 20 0 DGADMP COCC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC001644099487 1195081460 /nfs/dbraw/zinc/08/14/60/1195081460.db2.gz UDOCOAVVTCGPNR-QZTJIDSGSA-N 2 1 310.526 3.493 20 0 DGADMP C([C@@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001644658701 1195123677 /nfs/dbraw/zinc/12/36/77/1195123677.db2.gz YLSKMJFSBMWCCK-ZWKOTPCHSA-N 2 1 322.493 3.013 20 0 DGADMP C([C@@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001644658701 1195123678 /nfs/dbraw/zinc/12/36/78/1195123678.db2.gz YLSKMJFSBMWCCK-ZWKOTPCHSA-N 2 1 322.493 3.013 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001645369218 1195179099 /nfs/dbraw/zinc/17/90/99/1195179099.db2.gz HMMAHDLBIUXWQK-LPHOPBHVSA-N 2 1 322.468 3.361 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCO[C@@H]2CCCCO2)CC1 ZINC001648027407 1195271864 /nfs/dbraw/zinc/27/18/64/1195271864.db2.gz RVAQOGDOBWGUMH-RBUKOAKNSA-N 2 1 324.509 3.116 20 0 DGADMP C[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1)C[NH+](C)C ZINC001651135720 1195417734 /nfs/dbraw/zinc/41/77/34/1195417734.db2.gz FVCSDUUHSFQSRF-SNVBAGLBSA-N 2 1 319.674 3.390 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@H]1c1cccs1 ZINC001650376606 1195362105 /nfs/dbraw/zinc/36/21/05/1195362105.db2.gz PWZKAXFXNFWMOT-UXLLHSPISA-N 2 1 308.491 3.147 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@H]1c1cccs1 ZINC001650376606 1195362110 /nfs/dbraw/zinc/36/21/10/1195362110.db2.gz PWZKAXFXNFWMOT-UXLLHSPISA-N 2 1 308.491 3.147 20 0 DGADMP COc1cccc2c1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C2 ZINC001651176390 1195423475 /nfs/dbraw/zinc/42/34/75/1195423475.db2.gz PXVJWGDGHZQNHO-QGZVFWFLSA-N 2 1 316.489 3.407 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc([Si](C)(C)C)cc2)CC1(C)C ZINC001651339574 1195446212 /nfs/dbraw/zinc/44/62/12/1195446212.db2.gz CFQCYLWORGDZOF-QGZVFWFLSA-N 2 1 318.581 3.237 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC001651706456 1195500476 /nfs/dbraw/zinc/50/04/76/1195500476.db2.gz UYVBMPVZEJBUHF-CQSZACIVSA-N 2 1 318.490 3.415 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[C@H](C)O3)C[C@@H]1C ZINC001651750073 1195504987 /nfs/dbraw/zinc/50/49/87/1195504987.db2.gz AAGZSCQTXRCICP-MPGHIAIKSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)C[C@@H]1C ZINC001651750073 1195504991 /nfs/dbraw/zinc/50/49/91/1195504991.db2.gz AAGZSCQTXRCICP-MPGHIAIKSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[C@H](C)O3)C[C@@H]1C ZINC001651750073 1195504995 /nfs/dbraw/zinc/50/49/95/1195504995.db2.gz AAGZSCQTXRCICP-MPGHIAIKSA-N 2 1 302.462 3.315 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652361986 1195588334 /nfs/dbraw/zinc/58/83/34/1195588334.db2.gz UBSLBTWZTWDFMS-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652361986 1195588338 /nfs/dbraw/zinc/58/83/38/1195588338.db2.gz UBSLBTWZTWDFMS-NLWGTHIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1C[C@@]1(C)Br ZINC001652391721 1195591053 /nfs/dbraw/zinc/59/10/53/1195591053.db2.gz RZIYRPUFTIPSIX-UONOGXRCSA-N 2 1 305.304 3.214 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1C[C@@]1(C)Br ZINC001652391721 1195591054 /nfs/dbraw/zinc/59/10/54/1195591054.db2.gz RZIYRPUFTIPSIX-UONOGXRCSA-N 2 1 305.304 3.214 20 0 DGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000067121217 1195594751 /nfs/dbraw/zinc/59/47/51/1195594751.db2.gz AJDMDSUJOYPFAL-JTQLQIEISA-N 2 1 306.784 3.371 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634008 1195630224 /nfs/dbraw/zinc/63/02/24/1195630224.db2.gz SKVBTZVOISEAIL-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634008 1195630225 /nfs/dbraw/zinc/63/02/25/1195630225.db2.gz SKVBTZVOISEAIL-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634008 1195630227 /nfs/dbraw/zinc/63/02/27/1195630227.db2.gz SKVBTZVOISEAIL-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001652634008 1195630228 /nfs/dbraw/zinc/63/02/28/1195630228.db2.gz SKVBTZVOISEAIL-RTBURBONSA-N 2 1 318.505 3.380 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+][C@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC001653234408 1195701451 /nfs/dbraw/zinc/70/14/51/1195701451.db2.gz WRXNCBMLVUTVCK-XWSJACJDSA-N 2 1 316.514 3.382 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4scnc4c3)C[C@@H]2C1 ZINC001653242299 1195702572 /nfs/dbraw/zinc/70/25/72/1195702572.db2.gz ZMMPTZQMDKAHAO-OWCLPIDISA-N 2 1 315.486 3.458 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653263481 1195705351 /nfs/dbraw/zinc/70/53/51/1195705351.db2.gz RULFXRAGBPKGDA-MISYRCLQSA-N 2 1 323.484 3.480 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC4(CO3)CCCCC4)CC[C@@H]21 ZINC001653554380 1195732973 /nfs/dbraw/zinc/73/29/73/1195732973.db2.gz WDJSPAWSINNZAY-KURKYZTESA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC4(CO3)CCCCC4)CC[C@@H]21 ZINC001653554380 1195732975 /nfs/dbraw/zinc/73/29/75/1195732975.db2.gz WDJSPAWSINNZAY-KURKYZTESA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CCCCC4)CC[C@@H]21 ZINC001653554380 1195732979 /nfs/dbraw/zinc/73/29/79/1195732979.db2.gz WDJSPAWSINNZAY-KURKYZTESA-N 2 1 306.494 3.142 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@](O)(c1ccccc1)C(C)C ZINC001653818117 1195753091 /nfs/dbraw/zinc/75/30/91/1195753091.db2.gz QTZKYDPKYMQQBG-LJQANCHMSA-N 2 1 315.461 3.057 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@](O)(c1ccccc1)C(C)C ZINC001653818117 1195753094 /nfs/dbraw/zinc/75/30/94/1195753094.db2.gz QTZKYDPKYMQQBG-LJQANCHMSA-N 2 1 315.461 3.057 20 0 DGADMP CC[C@@H]1CC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218644 1195785426 /nfs/dbraw/zinc/78/54/26/1195785426.db2.gz ODRKFLLIVMMGLE-MISYRCLQSA-N 2 1 316.489 3.398 20 0 DGADMP C[NH+]1C[C@@]2(C)C[NH+](CCOc3cccc4ccccc43)C[C@]2(C)C1 ZINC001654414941 1195802696 /nfs/dbraw/zinc/80/26/96/1195802696.db2.gz LQQXQMJGITXELF-SFTDATJTSA-N 2 1 324.468 3.492 20 0 DGADMP COCC[N@H+](Cc1cc(C)ccc1C)CC1CC[NH+](C)CC1 ZINC001654463526 1195807185 /nfs/dbraw/zinc/80/71/85/1195807185.db2.gz ZRUDRMBOCDCHLU-UHFFFAOYSA-N 2 1 304.478 3.094 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCCOC(F)(F)F)CC1 ZINC001654511898 1195811650 /nfs/dbraw/zinc/81/16/50/1195811650.db2.gz CEDPZTBYOWGBFM-HNNXBMFYSA-N 2 1 322.415 3.499 20 0 DGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCCOC(F)(F)F)CC1 ZINC001654511898 1195811653 /nfs/dbraw/zinc/81/16/53/1195811653.db2.gz CEDPZTBYOWGBFM-HNNXBMFYSA-N 2 1 322.415 3.499 20 0 DGADMP COC[C@@H](C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C(C)C ZINC001654515448 1195812248 /nfs/dbraw/zinc/81/22/48/1195812248.db2.gz OLLMKMNNHKMQJE-MOPGFXCFSA-N 2 1 310.526 3.491 20 0 DGADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC001654873676 1195850204 /nfs/dbraw/zinc/85/02/04/1195850204.db2.gz XNIQQPIXDODWCA-OAQYLSRUSA-N 2 1 322.452 3.145 20 0 DGADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC001654873676 1195850205 /nfs/dbraw/zinc/85/02/05/1195850205.db2.gz XNIQQPIXDODWCA-OAQYLSRUSA-N 2 1 322.452 3.145 20 0 DGADMP CN(C)c1ccccc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001655141805 1195882787 /nfs/dbraw/zinc/88/27/87/1195882787.db2.gz MPUQMRUACGFSSP-BGYRXZFFSA-N 2 1 313.489 3.060 20 0 DGADMP CN(C)c1ccccc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001655141805 1195882791 /nfs/dbraw/zinc/88/27/91/1195882791.db2.gz MPUQMRUACGFSSP-BGYRXZFFSA-N 2 1 313.489 3.060 20 0 DGADMP CN(C)c1ccccc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001655141805 1195882795 /nfs/dbraw/zinc/88/27/95/1195882795.db2.gz MPUQMRUACGFSSP-BGYRXZFFSA-N 2 1 313.489 3.060 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1cccc2nccn21)C1CCCCC1 ZINC001655172737 1195886042 /nfs/dbraw/zinc/88/60/42/1195886042.db2.gz IZWHGUUYWSUFLS-UHFFFAOYSA-N 2 1 300.450 3.079 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1cccc2nccn21)C1CCCCC1 ZINC001655172737 1195886047 /nfs/dbraw/zinc/88/60/47/1195886047.db2.gz IZWHGUUYWSUFLS-UHFFFAOYSA-N 2 1 300.450 3.079 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001655402127 1195912847 /nfs/dbraw/zinc/91/28/47/1195912847.db2.gz YLXXEYRRHIOINN-GPMSIDNRSA-N 2 1 302.462 3.186 20 0 DGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001655402127 1195912851 /nfs/dbraw/zinc/91/28/51/1195912851.db2.gz YLXXEYRRHIOINN-GPMSIDNRSA-N 2 1 302.462 3.186 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2c1OCCO2 ZINC001655434364 1195915919 /nfs/dbraw/zinc/91/59/19/1195915919.db2.gz UBNCMKFYJZGPEC-UHFFFAOYSA-N 2 1 318.461 3.156 20 0 DGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001655463647 1195921329 /nfs/dbraw/zinc/92/13/29/1195921329.db2.gz UETBLAZIPXSBRW-GJZGRUSLSA-N 2 1 309.404 3.418 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCCCC3)CC2)oc1C ZINC001655517293 1195926789 /nfs/dbraw/zinc/92/67/89/1195926789.db2.gz MIYWFZLSXNPXBP-UHFFFAOYSA-N 2 1 305.466 3.426 20 0 DGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001655560698 1195932215 /nfs/dbraw/zinc/93/22/15/1195932215.db2.gz MZKAZUKGEICPBO-DOTOQJQBSA-N 2 1 304.478 3.263 20 0 DGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC001655597401 1195937001 /nfs/dbraw/zinc/93/70/01/1195937001.db2.gz OKBMJARDBZYKPI-HXUWFJFHSA-N 2 1 316.489 3.345 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001655617598 1195941240 /nfs/dbraw/zinc/94/12/40/1195941240.db2.gz IPQAJWOYVRBOLB-HKUYNNGSSA-N 2 1 304.478 3.222 20 0 DGADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC001656031311 1195988961 /nfs/dbraw/zinc/98/89/61/1195988961.db2.gz FWSCDGIBCZJBDX-RDJZCZTQSA-N 2 1 314.473 3.017 20 0 DGADMP C[C@H](CC[NH2+]Cc1cn(C)nc1C1CCCC1)[NH+]1CCCCC1 ZINC001656071471 1195994102 /nfs/dbraw/zinc/99/41/02/1195994102.db2.gz UFSPJGDKCAOULE-MRXNPFEDSA-N 2 1 318.509 3.432 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](CNCc2c[nH]c(-c3ccccc3)n2)C1 ZINC001656395112 1196035604 /nfs/dbraw/zinc/03/56/04/1196035604.db2.gz GQIGYICXJLVZEG-MRXNPFEDSA-N 2 1 312.461 3.287 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001656395112 1196035616 /nfs/dbraw/zinc/03/56/16/1196035616.db2.gz GQIGYICXJLVZEG-MRXNPFEDSA-N 2 1 312.461 3.287 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001656395112 1196035620 /nfs/dbraw/zinc/03/56/20/1196035620.db2.gz GQIGYICXJLVZEG-MRXNPFEDSA-N 2 1 312.461 3.287 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC001656395417 1196035640 /nfs/dbraw/zinc/03/56/40/1196035640.db2.gz RBEFUSVBDFCCKL-IAGOWNOFSA-N 2 1 302.462 3.263 20 0 DGADMP Cc1c(Cl)cccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC001656390603 1196035703 /nfs/dbraw/zinc/03/57/03/1196035703.db2.gz ZFJSQCFIERBDRF-UHFFFAOYSA-N 2 1 323.912 3.012 20 0 DGADMP COc1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)ccc1F ZINC001656673201 1196060529 /nfs/dbraw/zinc/06/05/29/1196060529.db2.gz ZUEMBQFJRNTCOX-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP COc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)ccc1F ZINC001656673201 1196060533 /nfs/dbraw/zinc/06/05/33/1196060533.db2.gz ZUEMBQFJRNTCOX-UHFFFAOYSA-N 2 1 316.420 3.446 20 0 DGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC001656963714 1196087570 /nfs/dbraw/zinc/08/75/70/1196087570.db2.gz WHCIZVGLPIBYHR-QGZVFWFLSA-N 2 1 304.478 3.461 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082326 1196102549 /nfs/dbraw/zinc/10/25/49/1196102549.db2.gz RKIYQFXUUJPIRM-WMZOPIPTSA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001657082326 1196102553 /nfs/dbraw/zinc/10/25/53/1196102553.db2.gz RKIYQFXUUJPIRM-WMZOPIPTSA-N 2 1 316.489 3.180 20 0 DGADMP Cc1cc(C)cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC001657152287 1196111279 /nfs/dbraw/zinc/11/12/79/1196111279.db2.gz CZKCQYDGZSJFAQ-NRFANRHFSA-N 2 1 324.468 3.160 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)c1 ZINC001657148624 1196111592 /nfs/dbraw/zinc/11/15/92/1196111592.db2.gz JZSCLPKOUDWJED-QXAKKESOSA-N 2 1 302.462 3.214 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1Br ZINC001657149696 1196111605 /nfs/dbraw/zinc/11/16/05/1196111605.db2.gz YFMRYCWBGCDETO-SOUVJXGZSA-N 2 1 323.278 3.187 20 0 DGADMP Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1Br ZINC001657149696 1196111607 /nfs/dbraw/zinc/11/16/07/1196111607.db2.gz YFMRYCWBGCDETO-SOUVJXGZSA-N 2 1 323.278 3.187 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211683 1196119055 /nfs/dbraw/zinc/11/90/55/1196119055.db2.gz AKGPHARHVDEOCB-DOTOQJQBSA-N 2 1 318.461 3.086 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211683 1196119056 /nfs/dbraw/zinc/11/90/56/1196119056.db2.gz AKGPHARHVDEOCB-DOTOQJQBSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211683 1196119060 /nfs/dbraw/zinc/11/90/60/1196119060.db2.gz AKGPHARHVDEOCB-DOTOQJQBSA-N 2 1 318.461 3.086 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(C)c2)C[C@@H]1C ZINC001657211683 1196119062 /nfs/dbraw/zinc/11/90/62/1196119062.db2.gz AKGPHARHVDEOCB-DOTOQJQBSA-N 2 1 318.461 3.086 20 0 DGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001657230834 1196120498 /nfs/dbraw/zinc/12/04/98/1196120498.db2.gz DAJGQJGTIBMZRD-SJORKVTESA-N 2 1 302.462 3.228 20 0 DGADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC1CC[NH+](CC)CC1 ZINC001657354432 1196133576 /nfs/dbraw/zinc/13/35/76/1196133576.db2.gz ROVNEQSKSNLNLL-IBGZPJMESA-N 2 1 304.478 3.082 20 0 DGADMP COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC001657365046 1196134674 /nfs/dbraw/zinc/13/46/74/1196134674.db2.gz KXKAZDHJICCZPX-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC001657365046 1196134676 /nfs/dbraw/zinc/13/46/76/1196134676.db2.gz KXKAZDHJICCZPX-SFHVURJKSA-N 2 1 302.462 3.454 20 0 DGADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415596 1196139325 /nfs/dbraw/zinc/13/93/25/1196139325.db2.gz IDISTBBAVIGMRZ-OALUTQOASA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415596 1196139328 /nfs/dbraw/zinc/13/93/28/1196139328.db2.gz IDISTBBAVIGMRZ-OALUTQOASA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415596 1196139330 /nfs/dbraw/zinc/13/93/30/1196139330.db2.gz IDISTBBAVIGMRZ-OALUTQOASA-N 2 1 324.484 3.027 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001657415596 1196139333 /nfs/dbraw/zinc/13/93/33/1196139333.db2.gz IDISTBBAVIGMRZ-OALUTQOASA-N 2 1 324.484 3.027 20 0 DGADMP CCOC(=O)CCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001658188527 1196222893 /nfs/dbraw/zinc/22/28/93/1196222893.db2.gz AUEIHQKFJIZBGQ-IRXDYDNUSA-N 2 1 324.509 3.353 20 0 DGADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc2ccccc21 ZINC001658218292 1196226406 /nfs/dbraw/zinc/22/64/06/1196226406.db2.gz CUOOESSZPVFGMV-GOSISDBHSA-N 2 1 300.446 3.022 20 0 DGADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001658697347 1196289459 /nfs/dbraw/zinc/28/94/59/1196289459.db2.gz XCJBKJYROQPZME-RBUKOAKNSA-N 2 1 310.526 3.493 20 0 DGADMP C[C@H]1C[N@@H+](Cc2nccc3c2CCCC3)CCN1c1cc[nH+]cc1 ZINC001658807039 1196303754 /nfs/dbraw/zinc/30/37/54/1196303754.db2.gz WDOLQWJGYCSOCC-INIZCTEOSA-N 2 1 322.456 3.066 20 0 DGADMP CCCC[C@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001658830586 1196306794 /nfs/dbraw/zinc/30/67/94/1196306794.db2.gz PQRLGTDZFVHWRH-OALUTQOASA-N 2 1 304.478 3.312 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC001658830216 1196307437 /nfs/dbraw/zinc/30/74/37/1196307437.db2.gz NMGKRNLTHBREGS-YKCBXCCJSA-N 2 1 316.489 3.168 20 0 DGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC001658860577 1196311320 /nfs/dbraw/zinc/31/13/20/1196311320.db2.gz CEBFNQQHWTWPTJ-AQNXPRMDSA-N 2 1 312.457 3.133 20 0 DGADMP C[C@]12C[NH+](C[C@H]3CCC=CO3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001658860577 1196311325 /nfs/dbraw/zinc/31/13/25/1196311325.db2.gz CEBFNQQHWTWPTJ-AQNXPRMDSA-N 2 1 312.457 3.133 20 0 DGADMP C[C@]12C[NH+](C[C@H]3CCC=CO3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001658860577 1196311331 /nfs/dbraw/zinc/31/13/31/1196311331.db2.gz CEBFNQQHWTWPTJ-AQNXPRMDSA-N 2 1 312.457 3.133 20 0 DGADMP CNc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001659089973 1196343123 /nfs/dbraw/zinc/34/31/23/1196343123.db2.gz ZTWAOMALASSFHC-JZXOWHBKSA-N 2 1 301.478 3.199 20 0 DGADMP CC(C)Cc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC001659596202 1196398000 /nfs/dbraw/zinc/39/80/00/1196398000.db2.gz CIBOHSMPUXFWGZ-HXUWFJFHSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC001659596202 1196398005 /nfs/dbraw/zinc/39/80/05/1196398005.db2.gz CIBOHSMPUXFWGZ-HXUWFJFHSA-N 2 1 318.505 3.428 20 0 DGADMP CC(C)(C)[C@]1(C[NH2+][C@H]2C[C@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001659725174 1196408422 /nfs/dbraw/zinc/40/84/22/1196408422.db2.gz KXRUWHOPKOUUIL-BJLQDIEVSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC001659829194 1196419061 /nfs/dbraw/zinc/41/90/61/1196419061.db2.gz ZVGSLFTXZAASKG-SJLPKXTDSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C ZINC001659829194 1196419063 /nfs/dbraw/zinc/41/90/63/1196419063.db2.gz ZVGSLFTXZAASKG-SJLPKXTDSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001659829194 1196419065 /nfs/dbraw/zinc/41/90/65/1196419065.db2.gz ZVGSLFTXZAASKG-SJLPKXTDSA-N 2 1 304.503 3.422 20 0 DGADMP Cc1ccc(SCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C ZINC001659829194 1196419068 /nfs/dbraw/zinc/41/90/68/1196419068.db2.gz ZVGSLFTXZAASKG-SJLPKXTDSA-N 2 1 304.503 3.422 20 0 DGADMP CCCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000075780631 1196421211 /nfs/dbraw/zinc/42/12/11/1196421211.db2.gz JYQRAZXBFKAHPD-INIZCTEOSA-N 2 1 318.461 3.058 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950309 1196431749 /nfs/dbraw/zinc/43/17/49/1196431749.db2.gz CYACBECKBJOWTM-ZBFHGGJFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950309 1196431754 /nfs/dbraw/zinc/43/17/54/1196431754.db2.gz CYACBECKBJOWTM-ZBFHGGJFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950309 1196431756 /nfs/dbraw/zinc/43/17/56/1196431756.db2.gz CYACBECKBJOWTM-ZBFHGGJFSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001659950309 1196431759 /nfs/dbraw/zinc/43/17/59/1196431759.db2.gz CYACBECKBJOWTM-ZBFHGGJFSA-N 2 1 324.896 3.221 20 0 DGADMP C[C@@H](CC1CCCCC1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001660104762 1196446451 /nfs/dbraw/zinc/44/64/51/1196446451.db2.gz AELFESSKSYPIMV-KRWDZBQOSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001660225173 1196459291 /nfs/dbraw/zinc/45/92/91/1196459291.db2.gz YKSWSHIENVHIJN-LMCOJAPRSA-N 2 1 314.473 3.008 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001660225173 1196459293 /nfs/dbraw/zinc/45/92/93/1196459293.db2.gz YKSWSHIENVHIJN-LMCOJAPRSA-N 2 1 314.473 3.008 20 0 DGADMP CCn1cc(C[NH2+]CCC[NH+](CC)CC)c(-c2ccccc2)n1 ZINC001660772964 1196522279 /nfs/dbraw/zinc/52/22/79/1196522279.db2.gz FTXHLJQGJHZSET-UHFFFAOYSA-N 2 1 314.477 3.392 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)[C@H]2C1 ZINC001660928796 1196543083 /nfs/dbraw/zinc/54/30/83/1196543083.db2.gz IXAFVRVJYCKDOL-ITKXQGIFSA-N 2 1 306.400 3.141 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)s1 ZINC001661403048 1196602084 /nfs/dbraw/zinc/60/20/84/1196602084.db2.gz WELVLAPJAMMPCQ-QGZVFWFLSA-N 2 1 308.491 3.098 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001663532960 1196897715 /nfs/dbraw/zinc/89/77/15/1196897715.db2.gz TYGFOWDOQPHHIQ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](O)C[C@H](C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080204320 1197043804 /nfs/dbraw/zinc/04/38/04/1197043804.db2.gz NYNYXHAPJLZBMG-IRXDYDNUSA-N 2 1 306.494 3.141 20 0 DGADMP Cc1csc2nc(C)c(CNCCC[N@H+](C)CC(C)C)n12 ZINC001665160228 1197103105 /nfs/dbraw/zinc/10/31/05/1197103105.db2.gz PQUVLKHDLKDYNQ-UHFFFAOYSA-N 2 1 308.495 3.080 20 0 DGADMP Cc1csc2nc(C)c(C[NH2+]CCC[N@@H+](C)CC(C)C)n12 ZINC001665160228 1197103107 /nfs/dbraw/zinc/10/31/07/1197103107.db2.gz PQUVLKHDLKDYNQ-UHFFFAOYSA-N 2 1 308.495 3.080 20 0 DGADMP Cc1csc2nc(C)c(C[NH2+]CCC[N@H+](C)CC(C)C)n12 ZINC001665160228 1197103109 /nfs/dbraw/zinc/10/31/09/1197103109.db2.gz PQUVLKHDLKDYNQ-UHFFFAOYSA-N 2 1 308.495 3.080 20 0 DGADMP CC[N@@H+](CCC[NH2+]CCC(C)(C)C(=O)OC)C1CCCCC1 ZINC001665173465 1197105422 /nfs/dbraw/zinc/10/54/22/1197105422.db2.gz KIWBSIKKIUMACJ-UHFFFAOYSA-N 2 1 312.498 3.210 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)CC1 ZINC001665359812 1197128300 /nfs/dbraw/zinc/12/83/00/1197128300.db2.gz SMDFEJQFWOJGIF-SFHVURJKSA-N 2 1 318.461 3.165 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001665494674 1197143817 /nfs/dbraw/zinc/14/38/17/1197143817.db2.gz OMYYUZZVIHSNFU-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001665937953 1197218937 /nfs/dbraw/zinc/21/89/37/1197218937.db2.gz USDYQDNQZRJHQF-KZGWPWDHSA-N 2 1 314.473 3.117 20 0 DGADMP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001666976439 1197304518 /nfs/dbraw/zinc/30/45/18/1197304518.db2.gz DUGVYQQLKNNPOY-FUHWJXTLSA-N 2 1 323.525 3.020 20 0 DGADMP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001669832337 1197488934 /nfs/dbraw/zinc/48/89/34/1197488934.db2.gz FDLQJPWWOOSSDW-CYBMUJFWSA-N 2 1 316.449 3.049 20 0 DGADMP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001669832338 1197489051 /nfs/dbraw/zinc/48/90/51/1197489051.db2.gz FDLQJPWWOOSSDW-ZDUSSCGKSA-N 2 1 316.449 3.049 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000378891256 1197701687 /nfs/dbraw/zinc/70/16/87/1197701687.db2.gz QSILBJXCSBIFQG-GPMSIDNRSA-N 2 1 300.446 3.289 20 0 DGADMP CC[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000378923596 1197702340 /nfs/dbraw/zinc/70/23/40/1197702340.db2.gz QTMNWRQGHXFISQ-UHFFFAOYSA-N 2 1 324.852 3.075 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656490 1197703269 /nfs/dbraw/zinc/70/32/69/1197703269.db2.gz PHPWMUKBVVYFHF-RDTXWAMCSA-N 2 1 312.461 3.169 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656490 1197703271 /nfs/dbraw/zinc/70/32/71/1197703271.db2.gz PHPWMUKBVVYFHF-RDTXWAMCSA-N 2 1 312.461 3.169 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093968824 1198742776 /nfs/dbraw/zinc/74/27/76/1198742776.db2.gz LXNRBJNBAZOZJT-MRXNPFEDSA-N 2 1 320.525 3.175 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093968824 1198742784 /nfs/dbraw/zinc/74/27/84/1198742784.db2.gz LXNRBJNBAZOZJT-MRXNPFEDSA-N 2 1 320.525 3.175 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000097465640 1199135321 /nfs/dbraw/zinc/13/53/21/1199135321.db2.gz ZPHQVTWWVMCHSO-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000105458066 1199542838 /nfs/dbraw/zinc/54/28/38/1199542838.db2.gz ATIAJHILEGARHT-QGZVFWFLSA-N 2 1 320.477 3.304 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000304617990 1199669551 /nfs/dbraw/zinc/66/95/51/1199669551.db2.gz XMJDZZHSTBLLNW-ACAXCVFMSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1noc(C)c1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309701270 1199708585 /nfs/dbraw/zinc/70/85/85/1199708585.db2.gz GDAKKTOQTRDDMS-GOSISDBHSA-N 2 1 313.445 3.293 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000310978368 1199733830 /nfs/dbraw/zinc/73/38/30/1199733830.db2.gz JGUXKODESMUOKG-HNNXBMFYSA-N 2 1 311.267 3.066 20 0 DGADMP CC(C)=CC[N@@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001689812766 1200292456 /nfs/dbraw/zinc/29/24/56/1200292456.db2.gz PQXGDHBWWNFCJN-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[NH+](C)CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001689812766 1200292458 /nfs/dbraw/zinc/29/24/58/1200292458.db2.gz PQXGDHBWWNFCJN-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP CC(C)=CC[NH+](C)CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001689812766 1200292460 /nfs/dbraw/zinc/29/24/60/1200292460.db2.gz PQXGDHBWWNFCJN-UHFFFAOYSA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754675972 1200437142 /nfs/dbraw/zinc/43/71/42/1200437142.db2.gz CFMDFSXRSGLZOB-LJQANCHMSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754675972 1200437145 /nfs/dbraw/zinc/43/71/45/1200437145.db2.gz CFMDFSXRSGLZOB-LJQANCHMSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754675972 1200437148 /nfs/dbraw/zinc/43/71/48/1200437148.db2.gz CFMDFSXRSGLZOB-LJQANCHMSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCC1 ZINC001698798031 1201427725 /nfs/dbraw/zinc/42/77/25/1201427725.db2.gz OTWVBBSYAPNNSJ-UHFFFAOYSA-N 2 1 323.525 3.068 20 0 DGADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001700316402 1202233156 /nfs/dbraw/zinc/23/31/56/1202233156.db2.gz ULANDTXCYCQGKM-CVEARBPZSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001700316402 1202233158 /nfs/dbraw/zinc/23/31/58/1202233158.db2.gz ULANDTXCYCQGKM-CVEARBPZSA-N 2 1 323.525 3.019 20 0 DGADMP CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001700316402 1202233160 /nfs/dbraw/zinc/23/31/60/1202233160.db2.gz ULANDTXCYCQGKM-CVEARBPZSA-N 2 1 323.525 3.019 20 0 DGADMP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753780197 1202332648 /nfs/dbraw/zinc/33/26/48/1202332648.db2.gz RMGLUGQHRPVNET-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358133 1202603547 /nfs/dbraw/zinc/60/35/47/1202603547.db2.gz ZPHIZDBVEKUHLW-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358133 1202603548 /nfs/dbraw/zinc/60/35/48/1202603548.db2.gz ZPHIZDBVEKUHLW-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713832319 1202693778 /nfs/dbraw/zinc/69/37/78/1202693778.db2.gz QLBCNLAMLCSNLO-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713832319 1202693779 /nfs/dbraw/zinc/69/37/79/1202693779.db2.gz QLBCNLAMLCSNLO-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713832319 1202693780 /nfs/dbraw/zinc/69/37/80/1202693780.db2.gz QLBCNLAMLCSNLO-ZWKOTPCHSA-N 2 1 323.525 3.020 20 0 DGADMP Cn1cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278868653 1203117586 /nfs/dbraw/zinc/11/75/86/1203117586.db2.gz WTPKTYIXLISUSP-REPLKXPHSA-N 2 1 309.457 3.310 20 0 DGADMP CC[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001716713378 1203530533 /nfs/dbraw/zinc/53/05/33/1203530533.db2.gz INHKVABJZKLWIR-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001716713378 1203530534 /nfs/dbraw/zinc/53/05/34/1203530534.db2.gz INHKVABJZKLWIR-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001716713378 1203530535 /nfs/dbraw/zinc/53/05/35/1203530535.db2.gz INHKVABJZKLWIR-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716777152 1203541456 /nfs/dbraw/zinc/54/14/56/1203541456.db2.gz ANIDOHPMIJXOOZ-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001717237399 1203607660 /nfs/dbraw/zinc/60/76/60/1203607660.db2.gz IXAPTHGLTYVDAO-KRWDZBQOSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717540038 1203677278 /nfs/dbraw/zinc/67/72/78/1203677278.db2.gz IBNUNJMNWBPKGJ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001717837928 1203719265 /nfs/dbraw/zinc/71/92/65/1203719265.db2.gz PXSAPIJNKLKBRV-ZIFCJYIRSA-N 2 1 323.525 3.020 20 0 DGADMP CC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725162795 1204107287 /nfs/dbraw/zinc/10/72/87/1204107287.db2.gz UKUQYJMSJWPAEP-ZPUOCTKUSA-N 2 1 323.525 3.044 20 0 DGADMP CCCC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001731260886 1204355378 /nfs/dbraw/zinc/35/53/78/1204355378.db2.gz KXNCRSITPOFFJG-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731260886 1204355382 /nfs/dbraw/zinc/35/53/82/1204355382.db2.gz KXNCRSITPOFFJG-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001731260886 1204355386 /nfs/dbraw/zinc/35/53/86/1204355386.db2.gz KXNCRSITPOFFJG-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001732442263 1204843049 /nfs/dbraw/zinc/84/30/49/1204843049.db2.gz FCMWWXVLPFUFDK-KBSZCIAZSA-N 2 1 323.525 3.042 20 0 DGADMP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733347876 1205101510 /nfs/dbraw/zinc/10/15/10/1205101510.db2.gz UIQWHGMWTLPTLA-ROUUACIJSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1c[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1N ZINC001164632595 719094753 /nfs/dbraw/zinc/09/47/53/719094753.db2.gz ZSNRWIHQDXLZBB-PKOBYXMFSA-N 2 1 322.456 3.073 20 0 DGADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2cc3[nH]ccc3c[nH+]2)c1 ZINC001164940195 721911710 /nfs/dbraw/zinc/91/17/10/721911710.db2.gz ZKZDTWKFBLBKJR-GASCZTMLSA-N 2 1 324.453 3.478 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1 ZINC001206767660 1081616372 /nfs/dbraw/zinc/61/63/72/1081616372.db2.gz DFPOSHSCMZBIBQ-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1 ZINC001206767660 1081616374 /nfs/dbraw/zinc/61/63/74/1081616374.db2.gz DFPOSHSCMZBIBQ-VXGBXAGGSA-N 2 1 316.367 3.273 20 0 DGADMP CC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603582 1081635698 /nfs/dbraw/zinc/63/56/98/1081635698.db2.gz FCUDWNIRSWBDAT-WMZOPIPTSA-N 2 1 304.478 3.290 20 0 DGADMP CC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603582 1081635700 /nfs/dbraw/zinc/63/57/00/1081635700.db2.gz FCUDWNIRSWBDAT-WMZOPIPTSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603582 1081635703 /nfs/dbraw/zinc/63/57/03/1081635703.db2.gz FCUDWNIRSWBDAT-WMZOPIPTSA-N 2 1 304.478 3.290 20 0 DGADMP CC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208603582 1081635704 /nfs/dbraw/zinc/63/57/04/1081635704.db2.gz FCUDWNIRSWBDAT-WMZOPIPTSA-N 2 1 304.478 3.290 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206810616 1081695463 /nfs/dbraw/zinc/69/54/63/1081695463.db2.gz PHHUKRQEPOPIRM-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206810616 1081695465 /nfs/dbraw/zinc/69/54/65/1081695465.db2.gz PHHUKRQEPOPIRM-QWHCGFSZSA-N 2 1 311.267 3.317 20 0 DGADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001167254922 1081851226 /nfs/dbraw/zinc/85/12/26/1081851226.db2.gz BASNUZPIOUAYGO-MJGOQNOKSA-N 2 1 308.510 3.245 20 0 DGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714520 1081902308 /nfs/dbraw/zinc/90/23/08/1081902308.db2.gz NONJNAVDALGEEP-OWSLCNJRSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001648814817 1081927788 /nfs/dbraw/zinc/92/77/88/1081927788.db2.gz QGLJLIVOOHYMOD-IYBDPMFKSA-N 2 1 321.484 3.349 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC001648814817 1081927790 /nfs/dbraw/zinc/92/77/90/1081927790.db2.gz QGLJLIVOOHYMOD-IYBDPMFKSA-N 2 1 321.484 3.349 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000398029002 1082059330 /nfs/dbraw/zinc/05/93/30/1082059330.db2.gz MSVATTLHLGOJMP-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000398029002 1082059338 /nfs/dbraw/zinc/05/93/38/1082059338.db2.gz MSVATTLHLGOJMP-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001170134414 1082169035 /nfs/dbraw/zinc/16/90/35/1082169035.db2.gz BXYPNUGTYFKCLE-WMZOPIPTSA-N 2 1 318.461 3.135 20 0 DGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001170134414 1082169038 /nfs/dbraw/zinc/16/90/38/1082169038.db2.gz BXYPNUGTYFKCLE-WMZOPIPTSA-N 2 1 318.461 3.135 20 0 DGADMP C[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C[C@H]1CCC[NH+](C)C1 ZINC001167477296 1082217486 /nfs/dbraw/zinc/21/74/86/1082217486.db2.gz COWVMSXKKLUYTR-XIRDDKMYSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC001167477296 1082217491 /nfs/dbraw/zinc/21/74/91/1082217491.db2.gz COWVMSXKKLUYTR-XIRDDKMYSA-N 2 1 308.416 3.309 20 0 DGADMP C[NH+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC001167477296 1082217496 /nfs/dbraw/zinc/21/74/96/1082217496.db2.gz COWVMSXKKLUYTR-XIRDDKMYSA-N 2 1 308.416 3.309 20 0 DGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170259468 1082329774 /nfs/dbraw/zinc/32/97/74/1082329774.db2.gz CZLNZZCRWLSCPZ-BPUTZDHNSA-N 2 1 322.880 3.242 20 0 DGADMP CNc1cc[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001170330011 1082347563 /nfs/dbraw/zinc/34/75/63/1082347563.db2.gz DSGFKKZMBYZBPT-OSYLJGHBSA-N 2 1 323.444 3.126 20 0 DGADMP CNc1cc[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001170330011 1082347566 /nfs/dbraw/zinc/34/75/66/1082347566.db2.gz DSGFKKZMBYZBPT-OSYLJGHBSA-N 2 1 323.444 3.126 20 0 DGADMP Brc1ccc2c(c1)C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000707907816 1082466928 /nfs/dbraw/zinc/46/69/28/1082466928.db2.gz KXUBIJUXLDSIAI-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP Brc1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000707907816 1082466932 /nfs/dbraw/zinc/46/69/32/1082466932.db2.gz KXUBIJUXLDSIAI-UHFFFAOYSA-N 2 1 309.251 3.154 20 0 DGADMP CC(C)c1cc(N2C(C)(C)CC([NH3+])CC2(C)C)nc(N(C)C)[nH+]1 ZINC001167624318 1082617530 /nfs/dbraw/zinc/61/75/30/1082617530.db2.gz FMNKWXZSNWYQQW-UHFFFAOYSA-N 2 1 319.497 3.151 20 0 DGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170526117 1082629840 /nfs/dbraw/zinc/62/98/40/1082629840.db2.gz NTXLLRCODXIIAJ-JOCBIADPSA-N 2 1 322.493 3.233 20 0 DGADMP CCC(CC)[N@@H+]([C@H]1CC[C@@H](C(=O)OC)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170526729 1082631328 /nfs/dbraw/zinc/63/13/28/1082631328.db2.gz QXRABWULQROTBG-SRABZTEZSA-N 2 1 310.482 3.089 20 0 DGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132375697 1082894631 /nfs/dbraw/zinc/89/46/31/1082894631.db2.gz GIHCWZSWPOHBNP-IHVSBYRNSA-N 2 1 323.525 3.044 20 0 DGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1NCCC2 ZINC001204615738 1082913077 /nfs/dbraw/zinc/91/30/77/1082913077.db2.gz KWNMVAXIPUFPQX-GOSISDBHSA-N 2 1 301.478 3.351 20 0 DGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1NCCC2 ZINC001204615738 1082913083 /nfs/dbraw/zinc/91/30/83/1082913083.db2.gz KWNMVAXIPUFPQX-GOSISDBHSA-N 2 1 301.478 3.351 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2c1NCCC2 ZINC001204615738 1082913084 /nfs/dbraw/zinc/91/30/84/1082913084.db2.gz KWNMVAXIPUFPQX-GOSISDBHSA-N 2 1 301.478 3.351 20 0 DGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2c1NCCC2 ZINC001204615738 1082913089 /nfs/dbraw/zinc/91/30/89/1082913089.db2.gz KWNMVAXIPUFPQX-GOSISDBHSA-N 2 1 301.478 3.351 20 0 DGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517458 1082928292 /nfs/dbraw/zinc/92/82/92/1082928292.db2.gz CNXKTAVHZSYJTK-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Nc1ccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c[nH+]1 ZINC001170646792 1083038519 /nfs/dbraw/zinc/03/85/19/1083038519.db2.gz VEADVFDPQPRHDO-YVZJPGBNSA-N 2 1 322.456 3.296 20 0 DGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001493106325 1083053293 /nfs/dbraw/zinc/05/32/93/1083053293.db2.gz RAZYULABELQNKL-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP FC[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C(F)(F)F ZINC001140801086 1083072749 /nfs/dbraw/zinc/07/27/49/1083072749.db2.gz BFPKKKQKVPMICY-BXKDBHETSA-N 2 1 301.287 3.143 20 0 DGADMP FC[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C(F)(F)F ZINC001140801086 1083072753 /nfs/dbraw/zinc/07/27/53/1083072753.db2.gz BFPKKKQKVPMICY-BXKDBHETSA-N 2 1 301.287 3.143 20 0 DGADMP CCOc1ccc(F)c(F)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001143493621 1083238251 /nfs/dbraw/zinc/23/82/51/1083238251.db2.gz KKKFJJVTJCHISR-UHFFFAOYSA-N 2 1 312.404 3.137 20 0 DGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748034 1083278946 /nfs/dbraw/zinc/27/89/46/1083278946.db2.gz WZILJFIWOPSNOL-DMUMMCEESA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748034 1083278949 /nfs/dbraw/zinc/27/89/49/1083278949.db2.gz WZILJFIWOPSNOL-DMUMMCEESA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748034 1083278952 /nfs/dbraw/zinc/27/89/52/1083278952.db2.gz WZILJFIWOPSNOL-DMUMMCEESA-N 2 1 320.521 3.244 20 0 DGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170748034 1083278955 /nfs/dbraw/zinc/27/89/55/1083278955.db2.gz WZILJFIWOPSNOL-DMUMMCEESA-N 2 1 320.521 3.244 20 0 DGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1N(C)C ZINC001181505091 1083479817 /nfs/dbraw/zinc/47/98/17/1083479817.db2.gz DGHGVBIXSQZYDD-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1N(C)C ZINC001181505091 1083479820 /nfs/dbraw/zinc/47/98/20/1083479820.db2.gz DGHGVBIXSQZYDD-UHFFFAOYSA-N 2 1 307.457 3.200 20 0 DGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1 ZINC001183064996 1083869727 /nfs/dbraw/zinc/86/97/27/1083869727.db2.gz CDKCSVAZVRYYQY-QAPCUYQASA-N 2 1 318.461 3.025 20 0 DGADMP Cc1nc(N)ccc1CNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001167786097 1083933251 /nfs/dbraw/zinc/93/32/51/1083933251.db2.gz JKBYJZZASVUDBK-INIZCTEOSA-N 2 1 311.433 3.136 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001167786097 1083933260 /nfs/dbraw/zinc/93/32/60/1083933260.db2.gz JKBYJZZASVUDBK-INIZCTEOSA-N 2 1 311.433 3.136 20 0 DGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001167786097 1083933274 /nfs/dbraw/zinc/93/32/74/1083933274.db2.gz JKBYJZZASVUDBK-INIZCTEOSA-N 2 1 311.433 3.136 20 0 DGADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(OC(C)C)c1 ZINC001205289459 1084090945 /nfs/dbraw/zinc/09/09/45/1084090945.db2.gz YAKQORCTFOWDBL-GOSISDBHSA-N 2 1 306.450 3.186 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OC(C)C)c1 ZINC001205289459 1084090958 /nfs/dbraw/zinc/09/09/58/1084090958.db2.gz YAKQORCTFOWDBL-GOSISDBHSA-N 2 1 306.450 3.186 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001167833433 1084143254 /nfs/dbraw/zinc/14/32/54/1084143254.db2.gz BIKFFVPWYUARDV-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692920316 1084285760 /nfs/dbraw/zinc/28/57/60/1084285760.db2.gz DPHKKYZJTRSSSQ-UONOGXRCSA-N 2 1 305.293 3.282 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940657 1084865568 /nfs/dbraw/zinc/86/55/68/1084865568.db2.gz ZMKVAPBVUZRMEJ-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940657 1084865579 /nfs/dbraw/zinc/86/55/79/1084865579.db2.gz ZMKVAPBVUZRMEJ-OAHLLOKOSA-N 2 1 300.368 3.451 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001204734683 1084875942 /nfs/dbraw/zinc/87/59/42/1084875942.db2.gz BKPPGSHHUZFZIE-UHFFFAOYSA-N 2 1 302.462 3.359 20 0 DGADMP Fc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958463 1085615484 /nfs/dbraw/zinc/61/54/84/1085615484.db2.gz FIQOUOXQGPWEGK-AYHJJNSGSA-N 2 1 302.437 3.363 20 0 DGADMP Cc1cccnc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960414 1085673959 /nfs/dbraw/zinc/67/39/59/1085673959.db2.gz YVCRSMJHJCFBJX-YQQQUEKLSA-N 2 1 313.489 3.318 20 0 DGADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167960532 1085675333 /nfs/dbraw/zinc/67/53/33/1085675333.db2.gz ZYKAPYFLZZDFHO-AYHJJNSGSA-N 2 1 300.446 3.190 20 0 DGADMP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167967549 1085889815 /nfs/dbraw/zinc/88/98/15/1085889815.db2.gz GYLPIVWIAYUOEN-AYHJJNSGSA-N 2 1 311.473 3.108 20 0 DGADMP [NH3+]Cc1ccc2ncn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2c1 ZINC001167968327 1085895037 /nfs/dbraw/zinc/89/50/37/1085895037.db2.gz PHEGGCCHOXCVKF-SJPCQFCGSA-N 2 1 310.445 3.073 20 0 DGADMP C[C@@H](Cc1cccc(O)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974253 1085915289 /nfs/dbraw/zinc/91/52/89/1085915289.db2.gz SNJNCQNBJJFBEF-AQXGTKIOSA-N 2 1 314.473 3.318 20 0 DGADMP CC(C)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001167981719 1085933399 /nfs/dbraw/zinc/93/33/99/1085933399.db2.gz GMMWSQMUPHRJSL-VNVJMFPYSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981719 1085933409 /nfs/dbraw/zinc/93/34/09/1085933409.db2.gz GMMWSQMUPHRJSL-VNVJMFPYSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981719 1085933415 /nfs/dbraw/zinc/93/34/15/1085933415.db2.gz GMMWSQMUPHRJSL-VNVJMFPYSA-N 2 1 319.537 3.100 20 0 DGADMP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001167981719 1085933426 /nfs/dbraw/zinc/93/34/26/1085933426.db2.gz GMMWSQMUPHRJSL-VNVJMFPYSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001167981719 1085933431 /nfs/dbraw/zinc/93/34/31/1085933431.db2.gz GMMWSQMUPHRJSL-VNVJMFPYSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981719 1085933444 /nfs/dbraw/zinc/93/34/44/1085933444.db2.gz GMMWSQMUPHRJSL-VNVJMFPYSA-N 3 1 319.537 3.100 20 0 DGADMP CC(C)[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](C)C1 ZINC001167981719 1085933451 /nfs/dbraw/zinc/93/34/51/1085933451.db2.gz GMMWSQMUPHRJSL-VNVJMFPYSA-N 3 1 319.537 3.100 20 0 DGADMP O=C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]2CCCC[C@H]12 ZINC001167983355 1085938457 /nfs/dbraw/zinc/93/84/57/1085938457.db2.gz GOFWLNBVVSJTTC-JKHFOPOESA-N 2 1 316.489 3.225 20 0 DGADMP COCC[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996142 1086067455 /nfs/dbraw/zinc/06/74/55/1086067455.db2.gz XJTCAQPERKDMCZ-KAKFPZCNSA-N 2 1 306.494 3.283 20 0 DGADMP COCC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996142 1086067465 /nfs/dbraw/zinc/06/74/65/1086067465.db2.gz XJTCAQPERKDMCZ-KAKFPZCNSA-N 2 1 306.494 3.283 20 0 DGADMP COCC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996142 1086067471 /nfs/dbraw/zinc/06/74/71/1086067471.db2.gz XJTCAQPERKDMCZ-KAKFPZCNSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@H+]1CC[C@H](c2ccc(N(C(N)=[NH2+])c3ccc(F)cc3)cc2)C1 ZINC001168001142 1086097054 /nfs/dbraw/zinc/09/70/54/1086097054.db2.gz VZJCHFOXGLTBHZ-AWEZNQCLSA-N 2 1 312.392 3.276 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(N(C(N)=[NH2+])c3ccc(F)cc3)cc2)C1 ZINC001168001148 1086097199 /nfs/dbraw/zinc/09/71/99/1086097199.db2.gz VZJCHFOXGLTBHZ-CQSZACIVSA-N 2 1 312.392 3.276 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756707 1086166933 /nfs/dbraw/zinc/16/69/33/1086166933.db2.gz RXLQLECQJKZKBX-APWZRJJASA-N 2 1 318.505 3.212 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011227 1086213451 /nfs/dbraw/zinc/21/34/51/1086213451.db2.gz MWGUIJLPBODIRO-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011227 1086213463 /nfs/dbraw/zinc/21/34/63/1086213463.db2.gz MWGUIJLPBODIRO-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011227 1086213465 /nfs/dbraw/zinc/21/34/65/1086213465.db2.gz MWGUIJLPBODIRO-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011227 1086213473 /nfs/dbraw/zinc/21/34/73/1086213473.db2.gz MWGUIJLPBODIRO-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011227 1086213481 /nfs/dbraw/zinc/21/34/81/1086213481.db2.gz MWGUIJLPBODIRO-PIKOESSRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168013712 1086256845 /nfs/dbraw/zinc/25/68/45/1086256845.db2.gz IRJVBODYAYJUTF-NBMJBFSESA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025995 1086434349 /nfs/dbraw/zinc/43/43/49/1086434349.db2.gz KYSUQUPKGHFKJO-VROUVPMXSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1O ZINC001168041023 1086501997 /nfs/dbraw/zinc/50/19/97/1086501997.db2.gz QHXULLDUPGIZCH-NHAYFPRASA-N 2 1 316.489 3.131 20 0 DGADMP C[C@@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1O ZINC001168041023 1086502004 /nfs/dbraw/zinc/50/20/04/1086502004.db2.gz QHXULLDUPGIZCH-NHAYFPRASA-N 2 1 316.489 3.131 20 0 DGADMP CC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056610 1086626490 /nfs/dbraw/zinc/62/64/90/1086626490.db2.gz GQVYCQSWIZJFIY-JSJNYSNDSA-N 2 1 314.473 3.339 20 0 DGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326888 1086795952 /nfs/dbraw/zinc/79/59/52/1086795952.db2.gz AJBKZFJNJAEKLH-QZTJIDSGSA-N 2 1 323.525 3.019 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093552 1086853729 /nfs/dbraw/zinc/85/37/29/1086853729.db2.gz NIUKPJOLBGRSCM-DDBAPUKQSA-N 2 1 320.452 3.465 20 0 DGADMP FC(F)(F)Sc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000697427654 1087023237 /nfs/dbraw/zinc/02/32/37/1087023237.db2.gz CFPBGMDIEYPAOQ-UHFFFAOYSA-N 2 1 304.381 3.484 20 0 DGADMP CC[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC001168207794 1087057055 /nfs/dbraw/zinc/05/70/55/1087057055.db2.gz DYDQZTLKLJXVFS-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC001168207794 1087057061 /nfs/dbraw/zinc/05/70/61/1087057061.db2.gz DYDQZTLKLJXVFS-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC001168207794 1087057065 /nfs/dbraw/zinc/05/70/65/1087057065.db2.gz DYDQZTLKLJXVFS-SFHVURJKSA-N 2 1 315.505 3.199 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCC(C)CC1)C2 ZINC001168215028 1087058463 /nfs/dbraw/zinc/05/84/63/1087058463.db2.gz LLLDDRYOKLQULV-UHFFFAOYSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC(C)CC1)C2 ZINC001168215028 1087058467 /nfs/dbraw/zinc/05/84/67/1087058467.db2.gz LLLDDRYOKLQULV-UHFFFAOYSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC(C)CC1)C2 ZINC001168215028 1087058473 /nfs/dbraw/zinc/05/84/73/1087058473.db2.gz LLLDDRYOKLQULV-UHFFFAOYSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC(C)CC1)C2 ZINC001168215028 1087058480 /nfs/dbraw/zinc/05/84/80/1087058480.db2.gz LLLDDRYOKLQULV-UHFFFAOYSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn(C2CCC(C)CC2)c2c1CC[NH2+]C2 ZINC001168213062 1087060023 /nfs/dbraw/zinc/06/00/23/1087060023.db2.gz VQUFBIDNOINLRT-UHFFFAOYSA-N 2 1 304.482 3.120 20 0 DGADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001168258192 1087076327 /nfs/dbraw/zinc/07/63/27/1087076327.db2.gz XXHFCSNFRWXJNF-LJQANCHMSA-N 2 1 322.452 3.112 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168314902 1087291925 /nfs/dbraw/zinc/29/19/25/1087291925.db2.gz HVASWZUXIQTDDJ-KLAILNCOSA-N 2 1 302.462 3.357 20 0 DGADMP OCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC001168360479 1087343903 /nfs/dbraw/zinc/34/39/03/1087343903.db2.gz QXIMVVQRLVRWBN-SFHVURJKSA-N 2 1 322.880 3.228 20 0 DGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1F ZINC001168362733 1087370298 /nfs/dbraw/zinc/37/02/98/1087370298.db2.gz FILGRWGUYDDLKQ-ZDUSSCGKSA-N 2 1 306.425 3.359 20 0 DGADMP COc1ccccc1[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371366 1087446877 /nfs/dbraw/zinc/44/68/77/1087446877.db2.gz FCRQBMJXQDHGLN-KRWDZBQOSA-N 2 1 314.473 3.359 20 0 DGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1F ZINC001212144794 1087540030 /nfs/dbraw/zinc/54/00/30/1087540030.db2.gz CWPPLIISIJZGCO-HNNXBMFYSA-N 2 1 320.412 3.352 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387312 1087547293 /nfs/dbraw/zinc/54/72/93/1087547293.db2.gz CMRZFJBQQIPMBT-IBGZPJMESA-N 2 1 314.473 3.323 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387312 1087547296 /nfs/dbraw/zinc/54/72/96/1087547296.db2.gz CMRZFJBQQIPMBT-IBGZPJMESA-N 2 1 314.473 3.323 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168406493 1087567799 /nfs/dbraw/zinc/56/77/99/1087567799.db2.gz GDDPEMWHWPMZKC-OKYOBFRVSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168406493 1087567802 /nfs/dbraw/zinc/56/78/02/1087567802.db2.gz GDDPEMWHWPMZKC-OKYOBFRVSA-N 2 1 302.437 3.288 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001206641605 1087775650 /nfs/dbraw/zinc/77/56/50/1087775650.db2.gz ZTWTUBUJRJBGNE-OAHLLOKOSA-N 2 1 318.852 3.087 20 0 DGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2cccc(Br)c2)CC1 ZINC001205094377 1087784693 /nfs/dbraw/zinc/78/46/93/1087784693.db2.gz LSBGGZALCWTDRR-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@@H]1C[C@@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c2ccccc21 ZINC001158472466 1087849317 /nfs/dbraw/zinc/84/93/17/1087849317.db2.gz NJKPGDQZKZXPDM-CXAGYDPISA-N 2 1 323.444 3.065 20 0 DGADMP Cc1cc2c(nc[nH+]c2N(C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001158488271 1087864373 /nfs/dbraw/zinc/86/43/73/1087864373.db2.gz PUYRSZVKMDGVOE-UHFFFAOYSA-N 2 1 313.449 3.110 20 0 DGADMP COc1ccnc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001158523005 1087892410 /nfs/dbraw/zinc/89/24/10/1087892410.db2.gz FAZQOSHHRXZINZ-HZPDHXFCSA-N 2 1 311.429 3.189 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@](C)(C[NH3+])C2)nc1 ZINC001158683800 1087977012 /nfs/dbraw/zinc/97/70/12/1087977012.db2.gz JKICRAZAURJCKP-IEBWSBKVSA-N 2 1 316.493 3.194 20 0 DGADMP CC(C)([NH3+])c1ccc(Nc2ccnc(-c3cc(N)cc[nH+]3)c2)cc1 ZINC001159223867 1088240320 /nfs/dbraw/zinc/24/03/20/1088240320.db2.gz BLEMXPWTUUMOPS-UHFFFAOYSA-N 2 1 319.412 3.085 20 0 DGADMP C[N@@H+](CCc1ccccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC001235433668 1088339398 /nfs/dbraw/zinc/33/93/98/1088339398.db2.gz UIJCKNQJCPDVOH-UHFFFAOYSA-N 2 1 300.368 3.179 20 0 DGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235434046 1088340338 /nfs/dbraw/zinc/34/03/38/1088340338.db2.gz YVMGOXMCXHRANY-UHFFFAOYSA-N 2 1 300.368 3.445 20 0 DGADMP C[C@H]1CCc2cc(N)ccc2[N@@H+]1c1ccc(N2CC[NH2+]CC2)cc1 ZINC001159447514 1088352705 /nfs/dbraw/zinc/35/27/05/1088352705.db2.gz NEIPSKTTYZKVOW-HNNXBMFYSA-N 2 1 322.456 3.151 20 0 DGADMP C[C@H]1CCc2cc(N)ccc2[N@H+]1c1ccc(N2CC[NH2+]CC2)cc1 ZINC001159447514 1088352712 /nfs/dbraw/zinc/35/27/12/1088352712.db2.gz NEIPSKTTYZKVOW-HNNXBMFYSA-N 2 1 322.456 3.151 20 0 DGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167530 1088496859 /nfs/dbraw/zinc/49/68/59/1088496859.db2.gz JXZFZLSUUWFUMN-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001159921029 1088550785 /nfs/dbraw/zinc/55/07/85/1088550785.db2.gz YRWCWWYHRNDZQV-CYBMUJFWSA-N 2 1 323.318 3.007 20 0 DGADMP [NH3+]CCc1ccccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001159996371 1088595636 /nfs/dbraw/zinc/59/56/36/1088595636.db2.gz ZYRATUCLGYBQLP-UHFFFAOYSA-N 2 1 307.441 3.390 20 0 DGADMP [NH3+][C@@H]1CCN(c2ccc(F)cc2Nc2cc[nH+]c3ccccc23)C1 ZINC001160051756 1088620138 /nfs/dbraw/zinc/62/01/38/1088620138.db2.gz DOIDCUYNIHCJRN-CQSZACIVSA-N 2 1 322.387 3.077 20 0 DGADMP C[C@@]1(F)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206673645 1088637558 /nfs/dbraw/zinc/63/75/58/1088637558.db2.gz IWXCMHBDCSUUAI-LJQANCHMSA-N 2 1 320.452 3.233 20 0 DGADMP C[C@@]1(F)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206673645 1088637565 /nfs/dbraw/zinc/63/75/65/1088637565.db2.gz IWXCMHBDCSUUAI-LJQANCHMSA-N 2 1 320.452 3.233 20 0 DGADMP [NH3+][C@H]1CCC[C@H](Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001154986356 1088873973 /nfs/dbraw/zinc/87/39/73/1088873973.db2.gz RVAWIEVUKCIZPV-KBPBESRZSA-N 2 1 308.857 3.013 20 0 DGADMP COc1cc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2cc1F ZINC001155028599 1088903710 /nfs/dbraw/zinc/90/37/10/1088903710.db2.gz DFOZEDSJWJYLNW-GXTWGEPZSA-N 2 1 317.408 3.430 20 0 DGADMP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001483805679 1088909516 /nfs/dbraw/zinc/90/95/16/1088909516.db2.gz UMBKJCDOUZIAKC-AYHJJNSGSA-N 2 1 323.525 3.020 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@H]2C[NH2+][C@H](C)C2)nc1 ZINC001155101343 1088947108 /nfs/dbraw/zinc/94/71/08/1088947108.db2.gz BBOVWBFMWCQOBE-JFIYKMOQSA-N 2 1 316.493 3.429 20 0 DGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226852 1089014377 /nfs/dbraw/zinc/01/43/77/1089014377.db2.gz OQTGFSCNPKUGJC-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226852 1089014395 /nfs/dbraw/zinc/01/43/95/1089014395.db2.gz OQTGFSCNPKUGJC-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226852 1089014411 /nfs/dbraw/zinc/01/44/11/1089014411.db2.gz OQTGFSCNPKUGJC-MHEJJFAZSA-N 2 1 323.525 3.044 20 0 DGADMP COc1cc2cc[nH+]c(NCC[C@H]3CCC[N@H+]3C)c2cc1OC ZINC001160963931 1089048488 /nfs/dbraw/zinc/04/84/88/1089048488.db2.gz KNHWPGQGLFNEMK-CQSZACIVSA-N 2 1 315.417 3.148 20 0 DGADMP CC(C)(C)c1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]c1 ZINC001155461755 1089122796 /nfs/dbraw/zinc/12/27/96/1089122796.db2.gz HKTCQEMSUKPRLU-HNNXBMFYSA-N 2 1 312.461 3.402 20 0 DGADMP c1cc(C2CC2)cc(NC2CC[NH+](CC3CCOCC3)CC2)[nH+]1 ZINC001161215396 1089155852 /nfs/dbraw/zinc/15/58/52/1089155852.db2.gz RGENXKDTRZUBED-UHFFFAOYSA-N 2 1 315.461 3.262 20 0 DGADMP c1ccc(CC2(Nc3cccc(C4CC4)[nH+]3)CC[NH2+]CC2)nc1 ZINC001161496435 1089262955 /nfs/dbraw/zinc/26/29/55/1089262955.db2.gz NZGKVNDRWATLOA-UHFFFAOYSA-N 2 1 308.429 3.131 20 0 DGADMP [NH3+]CCN(c1c[nH+]c2c(c1)CCCN2)c1cccc2ccccc21 ZINC001162007758 1089521516 /nfs/dbraw/zinc/52/15/16/1089521516.db2.gz QCEGXRUTNSSHAG-UHFFFAOYSA-N 2 1 318.424 3.168 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2CC[NH+](C)C2)nc1 ZINC001156581486 1089593610 /nfs/dbraw/zinc/59/36/10/1089593610.db2.gz QOSOJLINWNIEOU-IRXDYDNUSA-N 2 1 302.466 3.135 20 0 DGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N[C@H]2CC[N@H+](C)C2)nc1 ZINC001156581486 1089593623 /nfs/dbraw/zinc/59/36/23/1089593623.db2.gz QOSOJLINWNIEOU-IRXDYDNUSA-N 2 1 302.466 3.135 20 0 DGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N[C@H]2CC[N@@H+](C)C2)nc1 ZINC001156581486 1089593627 /nfs/dbraw/zinc/59/36/27/1089593627.db2.gz QOSOJLINWNIEOU-IRXDYDNUSA-N 2 1 302.466 3.135 20 0 DGADMP CC(C)(C)OC(=O)Nc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC001162395047 1089710952 /nfs/dbraw/zinc/71/09/52/1089710952.db2.gz BOZBYEQUOROPGC-NWDGAFQWSA-N 2 1 306.410 3.110 20 0 DGADMP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001162464926 1089747629 /nfs/dbraw/zinc/74/76/29/1089747629.db2.gz AMWDDMGJSJWSHQ-CRAIPNDOSA-N 2 1 313.489 3.433 20 0 DGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C)[C@@]2(C)CCC[NH2+]C2)nc1 ZINC001156976617 1089772943 /nfs/dbraw/zinc/77/29/43/1089772943.db2.gz JWWTTWNMQLENBI-MJGOQNOKSA-N 2 1 316.493 3.207 20 0 DGADMP CC1(Nc2[nH+]cnc3c2ccn3Cc2ccccc2)CC[NH2+]CC1 ZINC001157401279 1089946162 /nfs/dbraw/zinc/94/61/62/1089946162.db2.gz BKSMNWCRRFCIHU-UHFFFAOYSA-N 2 1 321.428 3.034 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc3c2CC[NH2+]C3)nc1 ZINC001157454206 1089972858 /nfs/dbraw/zinc/97/28/58/1089972858.db2.gz PPVRTWKCGYUIQU-GOSISDBHSA-N 2 1 324.472 3.455 20 0 DGADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC2C[NH+](C(C)C)C2)nc1 ZINC001157529565 1090009814 /nfs/dbraw/zinc/00/98/14/1090009814.db2.gz HUXLYVKHCHCPTC-KRWDZBQOSA-N 2 1 302.466 3.133 20 0 DGADMP CCC[N@H+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)ccc43)C[C@H]2C1 ZINC001157689188 1090074713 /nfs/dbraw/zinc/07/47/13/1090074713.db2.gz HMYNMBMXKHRCTA-IYBDPMFKSA-N 2 1 311.429 3.021 20 0 DGADMP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)ccc43)C[C@H]2C1 ZINC001157689188 1090074728 /nfs/dbraw/zinc/07/47/28/1090074728.db2.gz HMYNMBMXKHRCTA-IYBDPMFKSA-N 2 1 311.429 3.021 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]([NH3+])[C@@H]2C)nc1 ZINC001157745456 1090096223 /nfs/dbraw/zinc/09/62/23/1090096223.db2.gz ISSYWTBKICKSJS-CGTJXYLNSA-N 2 1 316.493 3.335 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NCC2([NH3+])CCC2)nc1 ZINC001163328510 1090152299 /nfs/dbraw/zinc/15/22/99/1090152299.db2.gz SBMUDAJAJPICAO-INIZCTEOSA-N 2 1 302.466 3.312 20 0 DGADMP CCCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001485476289 1090181868 /nfs/dbraw/zinc/18/18/68/1090181868.db2.gz QRJHWYQVWMVAOL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485476289 1090181873 /nfs/dbraw/zinc/18/18/73/1090181873.db2.gz QRJHWYQVWMVAOL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485476289 1090181877 /nfs/dbraw/zinc/18/18/77/1090181877.db2.gz QRJHWYQVWMVAOL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCC(=O)Nc1cc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)cc[nH+]1 ZINC001163762120 1090252419 /nfs/dbraw/zinc/25/24/19/1090252419.db2.gz YFLGFBKIGJSJRF-UHFFFAOYSA-N 2 1 322.412 3.450 20 0 DGADMP Brc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237374227 1090303595 /nfs/dbraw/zinc/30/35/95/1090303595.db2.gz CRDAAGHMPDLTGM-HOCLYGCPSA-N 2 1 323.278 3.066 20 0 DGADMP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1OC(C)C ZINC001164216425 1090374702 /nfs/dbraw/zinc/37/47/02/1090374702.db2.gz AKRWHUPSUCPFBR-UHFFFAOYSA-N 2 1 319.493 3.220 20 0 DGADMP CCc1ccc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)o1 ZINC001204390561 1090452958 /nfs/dbraw/zinc/45/29/58/1090452958.db2.gz HPFWHBMUMREJQT-IBGZPJMESA-N 2 1 320.477 3.165 20 0 DGADMP C[NH+](C)C[C@H]1CCCN1c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001165074873 1090461058 /nfs/dbraw/zinc/46/10/58/1090461058.db2.gz QJCXANXXKVGFOM-QGZVFWFLSA-N 2 1 324.472 3.365 20 0 DGADMP CCOc1ccnc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001165084127 1090461643 /nfs/dbraw/zinc/46/16/43/1090461643.db2.gz JLOWYDSLXAOUIH-HKUYNNGSSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001165084127 1090461646 /nfs/dbraw/zinc/46/16/46/1090461646.db2.gz JLOWYDSLXAOUIH-HKUYNNGSSA-N 2 1 323.440 3.191 20 0 DGADMP CCOc1cc[nH+]c(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001165084127 1090461651 /nfs/dbraw/zinc/46/16/51/1090461651.db2.gz JLOWYDSLXAOUIH-HKUYNNGSSA-N 2 1 323.440 3.191 20 0 DGADMP c1cc2c3c([nH]c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)[nH+]1)CCC3 ZINC001165322409 1090502866 /nfs/dbraw/zinc/50/28/66/1090502866.db2.gz IPLSMXCXJXIOFX-GOSISDBHSA-N 2 1 324.472 3.410 20 0 DGADMP CCOc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001203547150 1090753028 /nfs/dbraw/zinc/75/30/28/1090753028.db2.gz HNZNVUFDKSULNC-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP C[N@H+]1CCC2(C1)CCN(Cc1cccc(C(F)(F)F)n1)CC2 ZINC001276415882 1090782613 /nfs/dbraw/zinc/78/26/13/1090782613.db2.gz UYPFXKLNMYIIRA-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)n1)CC2 ZINC001276415882 1090782617 /nfs/dbraw/zinc/78/26/17/1090782617.db2.gz UYPFXKLNMYIIRA-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)n1)CC2 ZINC001276415882 1090782619 /nfs/dbraw/zinc/78/26/19/1090782619.db2.gz UYPFXKLNMYIIRA-UHFFFAOYSA-N 2 1 313.367 3.018 20 0 DGADMP COCC[N@@H+](Cc1c(C)cc(C)cc1C)C1CCN(C)CC1 ZINC001203745408 1090795421 /nfs/dbraw/zinc/79/54/21/1090795421.db2.gz UWSAOSNSYUOYNG-UHFFFAOYSA-N 2 1 304.478 3.154 20 0 DGADMP COCC[N@H+](Cc1c(C)cc(C)cc1C)C1CC[NH+](C)CC1 ZINC001203745408 1090795424 /nfs/dbraw/zinc/79/54/24/1090795424.db2.gz UWSAOSNSYUOYNG-UHFFFAOYSA-N 2 1 304.478 3.154 20 0 DGADMP COCC[N@@H+](Cc1c(C)cc(C)cc1C)C1CC[NH+](C)CC1 ZINC001203745408 1090795427 /nfs/dbraw/zinc/79/54/27/1090795427.db2.gz UWSAOSNSYUOYNG-UHFFFAOYSA-N 2 1 304.478 3.154 20 0 DGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203972187 1090855601 /nfs/dbraw/zinc/85/56/01/1090855601.db2.gz JMKPWOZOHJHTMI-GOSISDBHSA-N 2 1 312.413 3.442 20 0 DGADMP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203972187 1090855610 /nfs/dbraw/zinc/85/56/10/1090855610.db2.gz JMKPWOZOHJHTMI-GOSISDBHSA-N 2 1 312.413 3.442 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001204052957 1090884526 /nfs/dbraw/zinc/88/45/26/1090884526.db2.gz XVZWZASTXWOCKV-QGZVFWFLSA-N 2 1 316.445 3.256 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001204052957 1090884530 /nfs/dbraw/zinc/88/45/30/1090884530.db2.gz XVZWZASTXWOCKV-QGZVFWFLSA-N 2 1 316.445 3.256 20 0 DGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC001204063628 1090888389 /nfs/dbraw/zinc/88/83/89/1090888389.db2.gz JJZNAIQMEUGOPN-CVEARBPZSA-N 2 1 315.486 3.173 20 0 DGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC001204088539 1090898084 /nfs/dbraw/zinc/89/80/84/1090898084.db2.gz GFFSCKBSABUASQ-LEWSCRJBSA-N 2 1 316.417 3.165 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(CSC(F)F)o3)[C@H]2C1 ZINC001204088539 1090898088 /nfs/dbraw/zinc/89/80/88/1090898088.db2.gz GFFSCKBSABUASQ-LEWSCRJBSA-N 2 1 316.417 3.165 20 0 DGADMP c1nc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2s1 ZINC001204195383 1090919230 /nfs/dbraw/zinc/91/92/30/1090919230.db2.gz HVQVFLXPRWMYLI-OAHLLOKOSA-N 2 1 301.459 3.214 20 0 DGADMP c1nc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2s1 ZINC001204195383 1090919235 /nfs/dbraw/zinc/91/92/35/1090919235.db2.gz HVQVFLXPRWMYLI-OAHLLOKOSA-N 2 1 301.459 3.214 20 0 DGADMP COc1cccc(OC)c1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001204251781 1090934795 /nfs/dbraw/zinc/93/47/95/1090934795.db2.gz MZOILOFJZQOIHM-UHFFFAOYSA-N 2 1 320.477 3.256 20 0 DGADMP CCOc1ccc(C[N@@H+](CC)C2CCN(C)CC2)cc1OC ZINC001204359518 1090956303 /nfs/dbraw/zinc/95/63/03/1090956303.db2.gz WKMLCJYYBYQRCA-UHFFFAOYSA-N 2 1 306.450 3.010 20 0 DGADMP COc1ccc2cc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)ccc2c1 ZINC001204518378 1090989452 /nfs/dbraw/zinc/98/94/52/1090989452.db2.gz VVDTTZZWVVIWLJ-MOPGFXCFSA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc2cc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)ccc2c1 ZINC001204518378 1090989455 /nfs/dbraw/zinc/98/94/55/1090989455.db2.gz VVDTTZZWVVIWLJ-MOPGFXCFSA-N 2 1 310.441 3.232 20 0 DGADMP COc1ccc2cc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)ccc2c1 ZINC001204518378 1090989458 /nfs/dbraw/zinc/98/94/58/1090989458.db2.gz VVDTTZZWVVIWLJ-MOPGFXCFSA-N 2 1 310.441 3.232 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001204518403 1090989648 /nfs/dbraw/zinc/98/96/48/1090989648.db2.gz LLINIJZTCAGXQJ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001204518403 1090989653 /nfs/dbraw/zinc/98/96/53/1090989653.db2.gz LLINIJZTCAGXQJ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001204518403 1090989658 /nfs/dbraw/zinc/98/96/58/1090989658.db2.gz LLINIJZTCAGXQJ-KDURUIRLSA-N 2 1 310.441 3.232 20 0 DGADMP CC[N@@H+](Cc1ccccc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001204611575 1091007132 /nfs/dbraw/zinc/00/71/32/1091007132.db2.gz UXYSGDUPZQLQNP-UHFFFAOYSA-N 2 1 323.484 3.114 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC001204690048 1091017753 /nfs/dbraw/zinc/01/77/53/1091017753.db2.gz KYNDWFNUQLNHKM-QGZVFWFLSA-N 2 1 302.462 3.216 20 0 DGADMP CCCCCCc1csc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC001204755026 1091031008 /nfs/dbraw/zinc/03/10/08/1091031008.db2.gz DAFUZVDJFCQQIU-MRXNPFEDSA-N 2 1 310.507 3.421 20 0 DGADMP CCCCCCc1csc(C[N@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC001204755026 1091031014 /nfs/dbraw/zinc/03/10/14/1091031014.db2.gz DAFUZVDJFCQQIU-MRXNPFEDSA-N 2 1 310.507 3.421 20 0 DGADMP CC1(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC001204877162 1091052496 /nfs/dbraw/zinc/05/24/96/1091052496.db2.gz AMNBVRBDTQTEGB-IBGZPJMESA-N 2 1 309.457 3.283 20 0 DGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C2)CC1 ZINC001204893285 1091056786 /nfs/dbraw/zinc/05/67/86/1091056786.db2.gz CCFMDXVOQHDCQG-UHFFFAOYSA-N 2 1 316.342 3.372 20 0 DGADMP CC/C=C\CCCCC[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001276477803 1091064345 /nfs/dbraw/zinc/06/43/45/1091064345.db2.gz GHQVELDXOHBDTK-WAYWQWQTSA-N 2 1 321.553 3.472 20 0 DGADMP C[C@@]1([NH3+])CCC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001204939665 1091067010 /nfs/dbraw/zinc/06/70/10/1091067010.db2.gz SAGXRQZQULOYAO-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001204939665 1091067017 /nfs/dbraw/zinc/06/70/17/1091067017.db2.gz SAGXRQZQULOYAO-OAHLLOKOSA-N 2 1 311.267 3.195 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001205015785 1091084533 /nfs/dbraw/zinc/08/45/33/1091084533.db2.gz FQVNEYIMSATCHN-QGZVFWFLSA-N 3 1 313.489 3.119 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001205015785 1091084541 /nfs/dbraw/zinc/08/45/41/1091084541.db2.gz FQVNEYIMSATCHN-QGZVFWFLSA-N 3 1 313.489 3.119 20 0 DGADMP Cc1cc(F)c(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205041641 1091089088 /nfs/dbraw/zinc/08/90/88/1091089088.db2.gz ZBDGOJFPWOIEGM-UHFFFAOYSA-N 2 1 315.230 3.067 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001205068148 1091093720 /nfs/dbraw/zinc/09/37/20/1091093720.db2.gz DDBLSFAPMGUFEN-WFASDCNBSA-N 2 1 316.836 3.109 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001205068148 1091093724 /nfs/dbraw/zinc/09/37/24/1091093724.db2.gz DDBLSFAPMGUFEN-WFASDCNBSA-N 2 1 316.836 3.109 20 0 DGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001205109295 1091104361 /nfs/dbraw/zinc/10/43/61/1091104361.db2.gz DPFNVHRVQFWGDL-HNNXBMFYSA-N 2 1 316.836 3.110 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(OC(F)(F)F)c1 ZINC001205110755 1091105880 /nfs/dbraw/zinc/10/58/80/1091105880.db2.gz ZQKMTQCUDPMBTJ-ZDUSSCGKSA-N 2 1 302.340 3.207 20 0 DGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001205231141 1091140056 /nfs/dbraw/zinc/14/00/56/1091140056.db2.gz WZBYYTZJGFDTOS-SFHVURJKSA-N 2 1 316.470 3.091 20 0 DGADMP Cc1csc2sc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c(C)c12 ZINC001205241122 1091144063 /nfs/dbraw/zinc/14/40/63/1091144063.db2.gz QKRKSBKRVMPVPV-INIZCTEOSA-N 2 1 324.515 3.255 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205264814 1091154768 /nfs/dbraw/zinc/15/47/68/1091154768.db2.gz MZRRSSJTPIBFCM-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205264814 1091154770 /nfs/dbraw/zinc/15/47/70/1091154770.db2.gz MZRRSSJTPIBFCM-OAHLLOKOSA-N 2 1 311.267 3.461 20 0 DGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205281003 1091164503 /nfs/dbraw/zinc/16/45/03/1091164503.db2.gz NYQRYQPMSYYVPQ-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205281003 1091164507 /nfs/dbraw/zinc/16/45/07/1091164507.db2.gz NYQRYQPMSYYVPQ-AWEZNQCLSA-N 2 1 320.330 3.428 20 0 DGADMP CCSc1ncc2cccc(C[N@@H+]3CCC[C@](C)([NH3+])CC3)n21 ZINC001205296104 1091169627 /nfs/dbraw/zinc/16/96/27/1091169627.db2.gz GWGGVIGPYIMYRJ-KRWDZBQOSA-N 2 1 318.490 3.150 20 0 DGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)n21 ZINC001205296104 1091169630 /nfs/dbraw/zinc/16/96/30/1091169630.db2.gz GWGGVIGPYIMYRJ-KRWDZBQOSA-N 2 1 318.490 3.150 20 0 DGADMP COc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1OCC1CC1 ZINC001205296072 1091169847 /nfs/dbraw/zinc/16/98/47/1091169847.db2.gz GCYXPXOTDDSSRN-IBGZPJMESA-N 2 1 318.461 3.187 20 0 DGADMP C[C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001205296299 1091169978 /nfs/dbraw/zinc/16/99/78/1091169978.db2.gz LGAAHIDWRVOFFI-NWDGAFQWSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001205296299 1091169984 /nfs/dbraw/zinc/16/99/84/1091169984.db2.gz LGAAHIDWRVOFFI-NWDGAFQWSA-N 2 1 301.261 3.453 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303386 1091172347 /nfs/dbraw/zinc/17/23/47/1091172347.db2.gz DLZOMTFNJXHPPI-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303386 1091172352 /nfs/dbraw/zinc/17/23/52/1091172352.db2.gz DLZOMTFNJXHPPI-PWSUYJOCSA-N 2 1 320.330 3.141 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306564 1091176495 /nfs/dbraw/zinc/17/64/95/1091176495.db2.gz XLTDFPCGXRATLV-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306564 1091176502 /nfs/dbraw/zinc/17/65/02/1091176502.db2.gz XLTDFPCGXRATLV-TZMCWYRMSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205306769 1091177032 /nfs/dbraw/zinc/17/70/32/1091177032.db2.gz ZTPLXZZVOOLZHD-FZMZJTMJSA-N 2 1 300.368 3.431 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C[C@H]1C[NH3+] ZINC001205316406 1091179903 /nfs/dbraw/zinc/17/99/03/1091179903.db2.gz IHNVTCKHNYXYEZ-GOEBONIOSA-N 2 1 313.420 3.304 20 0 DGADMP C[C@H]1CC[N@H+](Cc2ccc3nccc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205316489 1091181052 /nfs/dbraw/zinc/18/10/52/1091181052.db2.gz KBKRGEHZCXHMAE-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc3nccc(Cl)c3c2)C[C@@H]1C[NH3+] ZINC001205316489 1091181058 /nfs/dbraw/zinc/18/10/58/1091181058.db2.gz KBKRGEHZCXHMAE-JSGCOSHPSA-N 2 1 303.837 3.305 20 0 DGADMP Cc1cccc(Br)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317757 1091182332 /nfs/dbraw/zinc/18/23/32/1091182332.db2.gz PYZUYMLYEGURAX-DGCLKSJQSA-N 2 1 311.267 3.174 20 0 DGADMP Cc1cccc(Br)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317757 1091182333 /nfs/dbraw/zinc/18/23/33/1091182333.db2.gz PYZUYMLYEGURAX-DGCLKSJQSA-N 2 1 311.267 3.174 20 0 DGADMP C[C@H]1CC[NH2+]CC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001205325139 1091185643 /nfs/dbraw/zinc/18/56/43/1091185643.db2.gz JZLLUESCDNQFPB-ZDUSSCGKSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205330906 1091188659 /nfs/dbraw/zinc/18/86/59/1091188659.db2.gz AGRJAFFQZQHUCY-LLVKDONJSA-N 2 1 322.250 3.114 20 0 DGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205330906 1091188661 /nfs/dbraw/zinc/18/86/61/1091188661.db2.gz AGRJAFFQZQHUCY-LLVKDONJSA-N 2 1 322.250 3.114 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001205545292 1091248429 /nfs/dbraw/zinc/24/84/29/1091248429.db2.gz CDJUZTLICFVSFP-MRXNPFEDSA-N 2 1 309.816 3.474 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138606836 1091249722 /nfs/dbraw/zinc/24/97/22/1091249722.db2.gz ZDKWBZUUOATLQV-MJGOQNOKSA-N 2 1 313.489 3.060 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138606836 1091249725 /nfs/dbraw/zinc/24/97/25/1091249725.db2.gz ZDKWBZUUOATLQV-MJGOQNOKSA-N 2 1 313.489 3.060 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(C)c1C ZINC001205558506 1091252806 /nfs/dbraw/zinc/25/28/06/1091252806.db2.gz FTUCEIFOJZEIST-GOSISDBHSA-N 2 1 308.441 3.273 20 0 DGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205558945 1091252981 /nfs/dbraw/zinc/25/29/81/1091252981.db2.gz LYMDSPRYYNLEIG-HNNXBMFYSA-N 2 1 302.796 3.440 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001205559429 1091253476 /nfs/dbraw/zinc/25/34/76/1091253476.db2.gz QNILKVQCPUOEND-KRWDZBQOSA-N 2 1 319.449 3.463 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205570034 1091258397 /nfs/dbraw/zinc/25/83/97/1091258397.db2.gz DAYGIAWBWUIDGH-HNNXBMFYSA-N 2 1 318.795 3.141 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001205570483 1091259922 /nfs/dbraw/zinc/25/99/22/1091259922.db2.gz KRAYXSSQGZPPSK-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001205570483 1091259928 /nfs/dbraw/zinc/25/99/28/1091259928.db2.gz KRAYXSSQGZPPSK-AWEZNQCLSA-N 2 1 306.759 3.271 20 0 DGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205581535 1091266025 /nfs/dbraw/zinc/26/60/25/1091266025.db2.gz VHRBFEZSHMSQNE-HNNXBMFYSA-N 2 1 302.796 3.440 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001205581517 1091266982 /nfs/dbraw/zinc/26/69/82/1091266982.db2.gz UZBZWANOBNCREB-LJQANCHMSA-N 2 1 313.420 3.402 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1C(F)F ZINC001205591148 1091269631 /nfs/dbraw/zinc/26/96/31/1091269631.db2.gz FQBSHGWGVWKRKR-INIZCTEOSA-N 2 1 316.367 3.286 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(O)cc3ccccc32)CC1 ZINC001205591727 1091269973 /nfs/dbraw/zinc/26/99/73/1091269973.db2.gz OJMCTYGOWRNNJU-SFHVURJKSA-N 2 1 302.393 3.198 20 0 DGADMP CCn1nc(C)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001138646424 1091273007 /nfs/dbraw/zinc/27/30/07/1091273007.db2.gz MZEPPDGNKPARKH-ZWKOTPCHSA-N 2 1 318.509 3.359 20 0 DGADMP CCn1nc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001138646424 1091273012 /nfs/dbraw/zinc/27/30/12/1091273012.db2.gz MZEPPDGNKPARKH-ZWKOTPCHSA-N 2 1 318.509 3.359 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)c1C ZINC001205615791 1091279033 /nfs/dbraw/zinc/27/90/33/1091279033.db2.gz BCIXTGDCAPAQPM-DYVFJYSZSA-N 2 1 304.478 3.427 20 0 DGADMP C[C@H]1CC[N@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@H]1C[NH3+] ZINC001205617811 1091281040 /nfs/dbraw/zinc/28/10/40/1091281040.db2.gz NZYUJQUOSAHPJM-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@H]1C[NH3+] ZINC001205617811 1091281050 /nfs/dbraw/zinc/28/10/50/1091281050.db2.gz NZYUJQUOSAHPJM-UWVGGRQHSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@@H]1C[NH3+] ZINC001205617812 1091281581 /nfs/dbraw/zinc/28/15/81/1091281581.db2.gz NZYUJQUOSAHPJM-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c(F)c(F)cc(F)c2F)CC[C@@H]1C[NH3+] ZINC001205617812 1091281590 /nfs/dbraw/zinc/28/15/90/1091281590.db2.gz NZYUJQUOSAHPJM-VHSXEESVSA-N 2 1 304.331 3.050 20 0 DGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205617751 1091282285 /nfs/dbraw/zinc/28/22/85/1091282285.db2.gz NDWFTGCBRDIIIC-JSGCOSHPSA-N 2 1 303.425 3.422 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)CC[C@H]1C[NH3+] ZINC001205618552 1091284015 /nfs/dbraw/zinc/28/40/15/1091284015.db2.gz XCXPEMOQYMVSGY-IRXDYDNUSA-N 2 1 301.478 3.094 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cscc2Br)CC[C@@H]1C[NH3+] ZINC001205618074 1091284057 /nfs/dbraw/zinc/28/40/57/1091284057.db2.gz RFCKXRGKFKWONX-GHMZBOCLSA-N 2 1 317.296 3.317 20 0 DGADMP CCOc1cc(F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1 ZINC001205628310 1091287744 /nfs/dbraw/zinc/28/77/44/1091287744.db2.gz UXJJCIZVDUEWIF-OLZOCXBDSA-N 2 1 312.404 3.170 20 0 DGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651592 1091295353 /nfs/dbraw/zinc/29/53/53/1091295353.db2.gz HCTRDPKOBGGVGL-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1C(F)F ZINC001205652829 1091298004 /nfs/dbraw/zinc/29/80/04/1091298004.db2.gz RHKWPDTXWKXHGP-GXTWGEPZSA-N 2 1 312.404 3.440 20 0 DGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652220 1091298025 /nfs/dbraw/zinc/29/80/25/1091298025.db2.gz ONDCSCCOZVCBHO-CABCVRRESA-N 2 1 308.441 3.420 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2F)CC[C@H]1C[NH3+] ZINC001205651971 1091298154 /nfs/dbraw/zinc/29/81/54/1091298154.db2.gz MSYASTZFEYAGHI-RYUDHWBXSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@](O)(C[NH3+])C1)c1cccc2ccccc21 ZINC001205665474 1091305300 /nfs/dbraw/zinc/30/53/00/1091305300.db2.gz RNGOVEQNFMZALS-OXQOHEQNSA-N 2 1 312.457 3.119 20 0 DGADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)cc2)cc1 ZINC001205682723 1091310925 /nfs/dbraw/zinc/31/09/25/1091310925.db2.gz UAHPACFGXRVZHS-NRFANRHFSA-N 2 1 324.468 3.338 20 0 DGADMP CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205688025 1091312766 /nfs/dbraw/zinc/31/27/66/1091312766.db2.gz CRRVYXAUVPHQEN-IBGZPJMESA-N 2 1 304.478 3.050 20 0 DGADMP CCn1ccc2ccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc21 ZINC001205770370 1091339712 /nfs/dbraw/zinc/33/97/12/1091339712.db2.gz MPFYYOFNYHQQOD-OAHLLOKOSA-N 2 1 307.388 3.077 20 0 DGADMP CCn1ccc2ccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc21 ZINC001205770370 1091339723 /nfs/dbraw/zinc/33/97/23/1091339723.db2.gz MPFYYOFNYHQQOD-OAHLLOKOSA-N 2 1 307.388 3.077 20 0 DGADMP Clc1cccc2c(C[N@@H+]3CCc4nccn4CC3)c[nH]c21 ZINC001138833955 1091348208 /nfs/dbraw/zinc/34/82/08/1091348208.db2.gz QWZJXRGBEAEEGE-UHFFFAOYSA-N 2 1 300.793 3.076 20 0 DGADMP Clc1cccc2c(CN3CCc4nccn4CC3)c[nH]c21 ZINC001138833955 1091348220 /nfs/dbraw/zinc/34/82/20/1091348220.db2.gz QWZJXRGBEAEEGE-UHFFFAOYSA-N 2 1 300.793 3.076 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830807 1091371834 /nfs/dbraw/zinc/37/18/34/1091371834.db2.gz VHVPNWWFAOVYDD-YWZLYKJASA-N 2 1 311.473 3.465 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001205830807 1091371844 /nfs/dbraw/zinc/37/18/44/1091371844.db2.gz VHVPNWWFAOVYDD-YWZLYKJASA-N 2 1 311.473 3.465 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856716 1091381460 /nfs/dbraw/zinc/38/14/60/1091381460.db2.gz XZHWEMFCYDMDKA-YJBOKZPZSA-N 2 1 302.462 3.140 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205856716 1091381465 /nfs/dbraw/zinc/38/14/65/1091381465.db2.gz XZHWEMFCYDMDKA-YJBOKZPZSA-N 2 1 302.462 3.140 20 0 DGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCC(C)C)cc3)C[C@@H]2C1 ZINC001138970028 1091399598 /nfs/dbraw/zinc/39/95/98/1091399598.db2.gz CEHMUNUBHHEYPN-ROUUACIJSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914101 1091406533 /nfs/dbraw/zinc/40/65/33/1091406533.db2.gz KZNCFTKAJOEFNS-OLZOCXBDSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)ncc2ccccc21 ZINC001205914101 1091406538 /nfs/dbraw/zinc/40/65/38/1091406538.db2.gz KZNCFTKAJOEFNS-OLZOCXBDSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912868 1091406594 /nfs/dbraw/zinc/40/65/94/1091406594.db2.gz DGXGAKVZTVQAHA-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001205912868 1091406600 /nfs/dbraw/zinc/40/66/00/1091406600.db2.gz DGXGAKVZTVQAHA-MNOVXSKESA-N 2 1 320.330 3.284 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001205913456 1091407258 /nfs/dbraw/zinc/40/72/58/1091407258.db2.gz IJKOIPBUQWSLMW-DOTOQJQBSA-N 2 1 311.429 3.433 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001205912880 1091407928 /nfs/dbraw/zinc/40/79/28/1091407928.db2.gz DMPSLQQAUGAZMD-RHSMWYFYSA-N 2 1 318.461 3.201 20 0 DGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001205914867 1091409374 /nfs/dbraw/zinc/40/93/74/1091409374.db2.gz OIFHBZQZJQUBCG-OLZOCXBDSA-N 2 1 303.837 3.447 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915841 1091409867 /nfs/dbraw/zinc/40/98/67/1091409867.db2.gz QVQQENHJNIQPCI-UKRRQHHQSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC001205915841 1091409872 /nfs/dbraw/zinc/40/98/72/1091409872.db2.gz QVQQENHJNIQPCI-UKRRQHHQSA-N 2 1 301.459 3.369 20 0 DGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205914821 1091409966 /nfs/dbraw/zinc/40/99/66/1091409966.db2.gz OAUUZWHHXJHPIU-HNAYVOBHSA-N 2 1 311.473 3.465 20 0 DGADMP C[N@H+]1CC[C@@H](c2ccc(-c3cccc(N4CC[NH2+]CC4)c3)cc2)C1 ZINC001205943538 1091425531 /nfs/dbraw/zinc/42/55/31/1091425531.db2.gz POEQRSASGVEDPM-HXUWFJFHSA-N 2 1 321.468 3.182 20 0 DGADMP C[C@H]1C[N@@H+](CCCCOCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205984190 1091435591 /nfs/dbraw/zinc/43/55/91/1091435591.db2.gz RKJQBRSDOFADGN-PKOBYXMFSA-N 2 1 304.478 3.290 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205991361 1091437279 /nfs/dbraw/zinc/43/72/79/1091437279.db2.gz AFOXIJQGHXSZJZ-DOTOQJQBSA-N 2 1 312.461 3.192 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205991365 1091437402 /nfs/dbraw/zinc/43/74/02/1091437402.db2.gz AFOXIJQGHXSZJZ-WBVHZDCISA-N 2 1 312.461 3.192 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001205993030 1091439170 /nfs/dbraw/zinc/43/91/70/1091439170.db2.gz GTCKOOVPIHQONV-VXGBXAGGSA-N 2 1 316.367 3.234 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205992950 1091439324 /nfs/dbraw/zinc/43/93/24/1091439324.db2.gz GJIBWSICJSXAQK-ZFWWWQNUSA-N 2 1 312.404 3.137 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCC[C@H]1C[NH3+] ZINC001206003347 1091443382 /nfs/dbraw/zinc/44/33/82/1091443382.db2.gz HACLOCXWIPONSY-HIFRSBDPSA-N 2 1 316.424 3.023 20 0 DGADMP CCOc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206015024 1091451933 /nfs/dbraw/zinc/45/19/33/1091451933.db2.gz ZODZREBTEMFZCD-GXTWGEPZSA-N 2 1 312.404 3.170 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4ccn(CC)c4c3)C[C@@H]2C1 ZINC001139120035 1091455375 /nfs/dbraw/zinc/45/53/75/1091455375.db2.gz JFZQHQQGTRNMGA-OALUTQOASA-N 2 1 311.473 3.435 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206025859 1091457365 /nfs/dbraw/zinc/45/73/65/1091457365.db2.gz POUXFVTZJOAMDD-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206035524 1091461497 /nfs/dbraw/zinc/46/14/97/1091461497.db2.gz CGABNKHIEZIGON-LSDHHAIUSA-N 2 1 308.441 3.420 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1SC ZINC001206037121 1091463292 /nfs/dbraw/zinc/46/32/92/1091463292.db2.gz UUVKPTSXQGNUBQ-ZFWWWQNUSA-N 2 1 308.491 3.224 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CCC[C@@H]1C[NH3+] ZINC001206036057 1091463568 /nfs/dbraw/zinc/46/35/68/1091463568.db2.gz FUGIMBFLYNJBRW-UKRRQHHQSA-N 2 1 317.408 3.288 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)CC1 ZINC001206056868 1091472430 /nfs/dbraw/zinc/47/24/30/1091472430.db2.gz VPTRWAXRAPPVKM-MRXNPFEDSA-N 2 1 319.468 3.068 20 0 DGADMP N[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@H]1F ZINC001206153164 1091512634 /nfs/dbraw/zinc/51/26/34/1091512634.db2.gz CCVIJWRHHCOYFP-QZTJIDSGSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@@H]1CC[N@H+](CCCCCOCc2ccccc2)CC[C@H]1F ZINC001206153164 1091512643 /nfs/dbraw/zinc/51/26/43/1091512643.db2.gz CCVIJWRHHCOYFP-QZTJIDSGSA-N 2 1 308.441 3.135 20 0 DGADMP [NH3+][C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[C@H]1F ZINC001206153164 1091512650 /nfs/dbraw/zinc/51/26/50/1091512650.db2.gz CCVIJWRHHCOYFP-QZTJIDSGSA-N 2 1 308.441 3.135 20 0 DGADMP CCC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324713 1091520694 /nfs/dbraw/zinc/52/06/94/1091520694.db2.gz MTDQUYNHVZNPHJ-HNNXBMFYSA-N 2 1 322.522 3.050 20 0 DGADMP CCC[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324713 1091520703 /nfs/dbraw/zinc/52/07/03/1091520703.db2.gz MTDQUYNHVZNPHJ-HNNXBMFYSA-N 2 1 322.522 3.050 20 0 DGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1F ZINC001206197715 1091530320 /nfs/dbraw/zinc/53/03/20/1091530320.db2.gz JBLGGYLMSPUDRL-OALUTQOASA-N 2 1 314.404 3.320 20 0 DGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1F ZINC001206197715 1091530325 /nfs/dbraw/zinc/53/03/25/1091530325.db2.gz JBLGGYLMSPUDRL-OALUTQOASA-N 2 1 314.404 3.320 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206198007 1091532829 /nfs/dbraw/zinc/53/28/29/1091532829.db2.gz KSPWEJKQTQRQJV-IAGOWNOFSA-N 2 1 324.440 3.019 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)cc1Cl ZINC001206303158 1091569521 /nfs/dbraw/zinc/56/95/21/1091569521.db2.gz BXGIKFZINOGAFU-MRXNPFEDSA-N 2 1 314.832 3.439 20 0 DGADMP CC(=O)n1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c2ccccc21 ZINC001206303632 1091569948 /nfs/dbraw/zinc/56/99/48/1091569948.db2.gz FPNZBHVDXROZKH-IBGZPJMESA-N 2 1 313.445 3.252 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001206311382 1091573957 /nfs/dbraw/zinc/57/39/57/1091573957.db2.gz NHGISBSPXPHXMO-LJQANCHMSA-N 2 1 310.445 3.095 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001206319000 1091577014 /nfs/dbraw/zinc/57/70/14/1091577014.db2.gz XEBGBIPEJAGECI-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(-c4ccsc4)nc3)C[C@H]2C1 ZINC001139502163 1091577594 /nfs/dbraw/zinc/57/75/94/1091577594.db2.gz KZGZGMOZNXRUTP-CALCHBBNSA-N 2 1 313.470 3.194 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001206324477 1091579690 /nfs/dbraw/zinc/57/96/90/1091579690.db2.gz CIFWWFIWCIMQNY-LJQANCHMSA-N 2 1 301.478 3.238 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139517388 1091580362 /nfs/dbraw/zinc/58/03/62/1091580362.db2.gz XCIGILHFFIHIGJ-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139517388 1091580369 /nfs/dbraw/zinc/58/03/69/1091580369.db2.gz XCIGILHFFIHIGJ-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139517388 1091580381 /nfs/dbraw/zinc/58/03/81/1091580381.db2.gz XCIGILHFFIHIGJ-MOPGFXCFSA-N 2 1 307.441 3.132 20 0 DGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001206326873 1091580732 /nfs/dbraw/zinc/58/07/32/1091580732.db2.gz QACNGTSDRHSULZ-MRXNPFEDSA-N 2 1 306.841 3.167 20 0 DGADMP COC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206327792 1091581274 /nfs/dbraw/zinc/58/12/74/1091581274.db2.gz XYIXCEGXWWEGND-KRWDZBQOSA-N 2 1 324.852 3.078 20 0 DGADMP CCOc1nccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206337928 1091585481 /nfs/dbraw/zinc/58/54/81/1091585481.db2.gz WZGUTAVROWTHON-INIZCTEOSA-N 2 1 311.857 3.085 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206363080 1091599739 /nfs/dbraw/zinc/59/97/39/1091599739.db2.gz UAPARZMZYUCHCC-SFHVURJKSA-N 2 1 301.409 3.130 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206363080 1091599742 /nfs/dbraw/zinc/59/97/42/1091599742.db2.gz UAPARZMZYUCHCC-SFHVURJKSA-N 2 1 301.409 3.130 20 0 DGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)cccc2n1 ZINC001206378893 1091607389 /nfs/dbraw/zinc/60/73/89/1091607389.db2.gz HBSYGRMEHHRXSV-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)cccc2n1 ZINC001206378893 1091607391 /nfs/dbraw/zinc/60/73/91/1091607391.db2.gz HBSYGRMEHHRXSV-GOSISDBHSA-N 2 1 301.409 3.196 20 0 DGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]2C1 ZINC001139645167 1091632016 /nfs/dbraw/zinc/63/20/16/1091632016.db2.gz DIQJAKYFIBTPGP-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]2C1 ZINC001139645167 1091632020 /nfs/dbraw/zinc/63/20/20/1091632020.db2.gz DIQJAKYFIBTPGP-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]2C1 ZINC001139645167 1091632022 /nfs/dbraw/zinc/63/20/22/1091632022.db2.gz DIQJAKYFIBTPGP-BGYRXZFFSA-N 2 1 307.441 3.132 20 0 DGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542029 1091662161 /nfs/dbraw/zinc/66/21/61/1091662161.db2.gz PJXJRHAQMWFZOI-DNVCBOLYSA-N 2 1 318.461 3.045 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc2c1 ZINC001206548087 1091665240 /nfs/dbraw/zinc/66/52/40/1091665240.db2.gz FWWIAQIXHIEORD-GOSISDBHSA-N 2 1 302.418 3.392 20 0 DGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC001206549839 1091665586 /nfs/dbraw/zinc/66/55/86/1091665586.db2.gz QQDJUUUIIKLSPL-INIZCTEOSA-N 2 1 304.463 3.089 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1OCC ZINC001206549877 1091665889 /nfs/dbraw/zinc/66/58/89/1091665889.db2.gz RPVHJNPFPQPLTB-IBGZPJMESA-N 2 1 320.477 3.435 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001206556002 1091668996 /nfs/dbraw/zinc/66/89/96/1091668996.db2.gz MDRIPOUGMMYOIF-GOSISDBHSA-N 2 1 301.409 3.325 20 0 DGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206565518 1091672226 /nfs/dbraw/zinc/67/22/26/1091672226.db2.gz UBOUKSHARJGKRS-FQEVSTJZSA-N 2 1 324.472 3.403 20 0 DGADMP COc1cccc2c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)ccnc12 ZINC001206574138 1091675202 /nfs/dbraw/zinc/67/52/02/1091675202.db2.gz PNEUTGCVZFKKNJ-IBGZPJMESA-N 2 1 313.445 3.194 20 0 DGADMP CC(C)[N@@H+](Cc1ccc2c(c1)NCCC2)[C@@H]1CCC[NH2+]CC1 ZINC001206597650 1091684439 /nfs/dbraw/zinc/68/44/39/1091684439.db2.gz DRHQCOPYOHVYOM-GOSISDBHSA-N 2 1 301.478 3.397 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001206616838 1091690480 /nfs/dbraw/zinc/69/04/80/1091690480.db2.gz RAFXKRMJQFMIQS-GFCCVEGCSA-N 2 1 304.331 3.405 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC001206615063 1091690766 /nfs/dbraw/zinc/69/07/66/1091690766.db2.gz BFSBRLGUISZOCH-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC001206615063 1091690769 /nfs/dbraw/zinc/69/07/69/1091690769.db2.gz BFSBRLGUISZOCH-ZDUSSCGKSA-N 2 1 303.837 3.449 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC001206616893 1091692178 /nfs/dbraw/zinc/69/21/78/1091692178.db2.gz SYMLLSQGBOORFS-CQSZACIVSA-N 2 1 301.459 3.371 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001206616843 1091692224 /nfs/dbraw/zinc/69/22/24/1091692224.db2.gz RAZFJPHGHQIORZ-OAHLLOKOSA-N 2 1 301.409 3.177 20 0 DGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206623864 1091693315 /nfs/dbraw/zinc/69/33/15/1091693315.db2.gz PVXKCXKCSCRDIE-ZDUSSCGKSA-N 2 1 316.367 3.454 20 0 DGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccccc1C1CC1)CC2 ZINC001139881938 1091702624 /nfs/dbraw/zinc/70/26/24/1091702624.db2.gz FIMDJPQXLGTSRG-UHFFFAOYSA-N 2 1 313.445 3.194 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001206717678 1091710641 /nfs/dbraw/zinc/71/06/41/1091710641.db2.gz ZQVOQYURKCXXDC-DLBZAZTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206717678 1091710650 /nfs/dbraw/zinc/71/06/50/1091710650.db2.gz ZQVOQYURKCXXDC-DLBZAZTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206717678 1091710656 /nfs/dbraw/zinc/71/06/56/1091710656.db2.gz ZQVOQYURKCXXDC-DLBZAZTESA-N 2 1 302.462 3.139 20 0 DGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccc(Br)cc1 ZINC001206760320 1091726517 /nfs/dbraw/zinc/72/65/17/1091726517.db2.gz CVEJOYFMQNPZHW-OCCSQVGLSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768274 1091731446 /nfs/dbraw/zinc/73/14/46/1091731446.db2.gz IHJDECFMDCMKRS-HOTGVXAUSA-N 2 1 317.477 3.352 20 0 DGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC2CCCCC2)nc1 ZINC001206768274 1091731450 /nfs/dbraw/zinc/73/14/50/1091731450.db2.gz IHJDECFMDCMKRS-HOTGVXAUSA-N 2 1 317.477 3.352 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001206769237 1091732458 /nfs/dbraw/zinc/73/24/58/1091732458.db2.gz NKKQNVZIFUSULJ-QWHCGFSZSA-N 2 1 316.367 3.453 20 0 DGADMP Cc1ccc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206772230 1091733475 /nfs/dbraw/zinc/73/34/75/1091733475.db2.gz ZKDXPYZHTSLMIO-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206772230 1091733478 /nfs/dbraw/zinc/73/34/78/1091733478.db2.gz ZKDXPYZHTSLMIO-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001206772218 1091733763 /nfs/dbraw/zinc/73/37/63/1091733763.db2.gz ZJNRTJSCGLWSLC-GDBMZVCRSA-N 2 1 318.461 3.201 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206811645 1091751929 /nfs/dbraw/zinc/75/19/29/1091751929.db2.gz WKQIGMACIWBBLC-DOTOQJQBSA-N 2 1 320.477 3.317 20 0 DGADMP C[N@@H+](Cc1ccc[nH]c1=O)C1CC[NH+](C2CCCCC2)CC1 ZINC001207011243 1091817625 /nfs/dbraw/zinc/81/76/25/1091817625.db2.gz JVJSTVSVPURWDC-UHFFFAOYSA-N 2 1 303.450 3.016 20 0 DGADMP CC1CCC([NH+]2CCN(Cc3[nH+]cc4ccccn43)CC2)CC1 ZINC001207051552 1091830949 /nfs/dbraw/zinc/83/09/49/1091830949.db2.gz NURDYUZRXRZMBE-UHFFFAOYSA-N 2 1 312.461 3.031 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OCc1ccccc1 ZINC001276512156 1091865190 /nfs/dbraw/zinc/86/51/90/1091865190.db2.gz OCJLEKSIQPBSQI-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)OCc1ccccc1 ZINC001276512156 1091865194 /nfs/dbraw/zinc/86/51/94/1091865194.db2.gz OCJLEKSIQPBSQI-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)OCc1ccccc1 ZINC001276512156 1091865199 /nfs/dbraw/zinc/86/51/99/1091865199.db2.gz OCJLEKSIQPBSQI-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207199385 1091885151 /nfs/dbraw/zinc/88/51/51/1091885151.db2.gz VHCWYJVNRSSSEI-JOCBIADPSA-N 2 1 304.865 3.327 20 0 DGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001207292374 1091913975 /nfs/dbraw/zinc/91/39/75/1091913975.db2.gz QCPXOURKLNGVHK-HXUWFJFHSA-N 2 1 314.473 3.154 20 0 DGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001207294317 1091915916 /nfs/dbraw/zinc/91/59/16/1091915916.db2.gz PMCWZWRWYYHKFX-IAGOWNOFSA-N 2 1 302.462 3.008 20 0 DGADMP CC/C=C\CC[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276525420 1091931727 /nfs/dbraw/zinc/93/17/27/1091931727.db2.gz IGYSABPXIXYMQI-SFFCAUCYSA-N 2 1 307.526 3.082 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(C)C)n(C)n1 ZINC001276529642 1091953283 /nfs/dbraw/zinc/95/32/83/1091953283.db2.gz IGSOVKJEJNOWGP-AYHJJNSGSA-N 2 1 318.509 3.250 20 0 DGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(C)C)n(C)n1 ZINC001276529642 1091953289 /nfs/dbraw/zinc/95/32/89/1091953289.db2.gz IGSOVKJEJNOWGP-AYHJJNSGSA-N 2 1 318.509 3.250 20 0 DGADMP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207435069 1091968992 /nfs/dbraw/zinc/96/89/92/1091968992.db2.gz FQUFSEVRTZWIRU-VQTJNVASSA-N 2 1 314.473 3.025 20 0 DGADMP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207435067 1091969776 /nfs/dbraw/zinc/96/97/76/1091969776.db2.gz FQUFSEVRTZWIRU-PMACEKPBSA-N 2 1 314.473 3.025 20 0 DGADMP Brc1ccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207438696 1091969889 /nfs/dbraw/zinc/96/98/89/1091969889.db2.gz DUCILEDFQUHAGZ-HNNXBMFYSA-N 2 1 323.278 3.238 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140724414 1091974466 /nfs/dbraw/zinc/97/44/66/1091974466.db2.gz AYNNGLBGSDCOQE-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140724414 1091974476 /nfs/dbraw/zinc/97/44/76/1091974476.db2.gz AYNNGLBGSDCOQE-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140724414 1091974486 /nfs/dbraw/zinc/97/44/86/1091974486.db2.gz AYNNGLBGSDCOQE-CABCVRRESA-N 2 1 315.848 3.272 20 0 DGADMP Cc1ccc([C@]2(C)C[N@@H+](CCC3CC[NH+](C)CC3)CCO2)cc1 ZINC001207486436 1091984975 /nfs/dbraw/zinc/98/49/75/1091984975.db2.gz INNIDLWOFHITNB-FQEVSTJZSA-N 2 1 316.489 3.274 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140803319 1092012391 /nfs/dbraw/zinc/01/23/91/1092012391.db2.gz OETLGPQCNFABMS-KRWDZBQOSA-N 2 1 307.397 3.354 20 0 DGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140803319 1092012402 /nfs/dbraw/zinc/01/24/02/1092012402.db2.gz OETLGPQCNFABMS-KRWDZBQOSA-N 2 1 307.397 3.354 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207630960 1092050478 /nfs/dbraw/zinc/05/04/78/1092050478.db2.gz ZVNGLVGWIYDOJJ-HGJUEJDCSA-N 2 1 308.469 3.262 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207630960 1092050487 /nfs/dbraw/zinc/05/04/87/1092050487.db2.gz ZVNGLVGWIYDOJJ-HGJUEJDCSA-N 2 1 308.469 3.262 20 0 DGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207630960 1092050495 /nfs/dbraw/zinc/05/04/95/1092050495.db2.gz ZVNGLVGWIYDOJJ-HGJUEJDCSA-N 2 1 308.469 3.262 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc([O-])c(F)c2F)CC1 ZINC001140894476 1092055552 /nfs/dbraw/zinc/05/55/52/1092055552.db2.gz ZONWKXOJOOIOOP-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(O)c(F)c2F)CC1 ZINC001140894476 1092055560 /nfs/dbraw/zinc/05/55/60/1092055560.db2.gz ZONWKXOJOOIOOP-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(O)c(F)c2F)CC1 ZINC001140894476 1092055569 /nfs/dbraw/zinc/05/55/69/1092055569.db2.gz ZONWKXOJOOIOOP-UHFFFAOYSA-N 2 1 312.404 3.223 20 0 DGADMP C[C@H]1CCCC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001140967719 1092087694 /nfs/dbraw/zinc/08/76/94/1092087694.db2.gz AXHCFSRONIQVCB-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001140971560 1092088069 /nfs/dbraw/zinc/08/80/69/1092088069.db2.gz WPYJTYJQKZUZHD-OAQYLSRUSA-N 2 1 321.468 3.385 20 0 DGADMP CC1CC(Nc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)C1 ZINC001207813018 1092107898 /nfs/dbraw/zinc/10/78/98/1092107898.db2.gz HROXDHDZIXLCOK-UHFFFAOYSA-N 2 1 310.445 3.197 20 0 DGADMP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001207843857 1092117392 /nfs/dbraw/zinc/11/73/92/1092117392.db2.gz HFRASIMYFZMWFC-ZQYQINFJSA-N 2 1 323.484 3.486 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207851140 1092120193 /nfs/dbraw/zinc/12/01/93/1092120193.db2.gz TZYZNLRGBXVZOM-QZTJIDSGSA-N 2 1 318.461 3.135 20 0 DGADMP Cc1ncoc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141054019 1092122532 /nfs/dbraw/zinc/12/25/32/1092122532.db2.gz WVYIMBKNAPSERS-UHFFFAOYSA-N 2 1 313.445 3.327 20 0 DGADMP C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207887526 1092129818 /nfs/dbraw/zinc/12/98/18/1092129818.db2.gz LWDPLGBNLDCDOR-IBGZPJMESA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2ccnc3ccc(OC)cc23)CC1 ZINC001141151129 1092152412 /nfs/dbraw/zinc/15/24/12/1092152412.db2.gz XHQOAGJXTOXSIM-UHFFFAOYSA-N 2 1 313.445 3.160 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccnc3ccc(OC)cc23)CC1 ZINC001141151129 1092152418 /nfs/dbraw/zinc/15/24/18/1092152418.db2.gz XHQOAGJXTOXSIM-UHFFFAOYSA-N 2 1 313.445 3.160 20 0 DGADMP CN(Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962705 1092160113 /nfs/dbraw/zinc/16/01/13/1092160113.db2.gz VMIJHYDJTNVBGP-LJQANCHMSA-N 2 1 320.452 3.291 20 0 DGADMP CCc1ccccc1C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001141227693 1092185780 /nfs/dbraw/zinc/18/57/80/1092185780.db2.gz FCJDMIHVIICFRC-FQEVSTJZSA-N 2 1 316.489 3.324 20 0 DGADMP CCc1ccccc1C[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001141227693 1092185783 /nfs/dbraw/zinc/18/57/83/1092185783.db2.gz FCJDMIHVIICFRC-FQEVSTJZSA-N 2 1 316.489 3.324 20 0 DGADMP C[C@@H]1CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H](C)[NH+]1C ZINC001208589658 1092413696 /nfs/dbraw/zinc/41/36/96/1092413696.db2.gz XIEWQSIRRJHNJJ-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C[C@H](C)[N@H+]1C ZINC001208589658 1092413699 /nfs/dbraw/zinc/41/36/99/1092413699.db2.gz XIEWQSIRRJHNJJ-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC001208589658 1092413704 /nfs/dbraw/zinc/41/37/04/1092413704.db2.gz XIEWQSIRRJHNJJ-WSTZPKSXSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H](C)[NH+]1C ZINC001208589657 1092413786 /nfs/dbraw/zinc/41/37/86/1092413786.db2.gz XIEWQSIRRJHNJJ-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@H](C)[N@H+]1C ZINC001208589657 1092413789 /nfs/dbraw/zinc/41/37/89/1092413789.db2.gz XIEWQSIRRJHNJJ-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H]1CN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC001208589657 1092413791 /nfs/dbraw/zinc/41/37/91/1092413791.db2.gz XIEWQSIRRJHNJJ-NSHGMRRFSA-N 2 1 315.505 3.066 20 0 DGADMP CCCC[C@@H](CC)C[NH+]1CC2(CN(Cc3[nH]c(C)[nH+]c3C)C2)C1 ZINC001276569768 1092414992 /nfs/dbraw/zinc/41/49/92/1092414992.db2.gz FKZJJSDKJRKHQO-QGZVFWFLSA-N 2 1 318.509 3.361 20 0 DGADMP Cc1ccc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208609721 1092424336 /nfs/dbraw/zinc/42/43/36/1092424336.db2.gz WRVSYAAFMRUVIQ-MJGOQNOKSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609721 1092424342 /nfs/dbraw/zinc/42/43/42/1092424342.db2.gz WRVSYAAFMRUVIQ-MJGOQNOKSA-N 2 1 302.462 3.180 20 0 DGADMP Cc1ccc(O[C@H]2CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC001208609721 1092424350 /nfs/dbraw/zinc/42/43/50/1092424350.db2.gz WRVSYAAFMRUVIQ-MJGOQNOKSA-N 2 1 302.462 3.180 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC001208608275 1092425309 /nfs/dbraw/zinc/42/53/09/1092425309.db2.gz PTKOVZFZJDXWEZ-OAHLLOKOSA-N 2 1 306.425 3.011 20 0 DGADMP C[C@@H]1OC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208615250 1092428478 /nfs/dbraw/zinc/42/84/78/1092428478.db2.gz TXWYWEVIICHYSK-IRXDYDNUSA-N 2 1 314.473 3.411 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208619630 1092431434 /nfs/dbraw/zinc/43/14/34/1092431434.db2.gz YOECFQNZADFZMT-HZPDHXFCSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208619630 1092431438 /nfs/dbraw/zinc/43/14/38/1092431438.db2.gz YOECFQNZADFZMT-HZPDHXFCSA-N 2 1 320.502 3.203 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208619630 1092431440 /nfs/dbraw/zinc/43/14/40/1092431440.db2.gz YOECFQNZADFZMT-HZPDHXFCSA-N 2 1 320.502 3.203 20 0 DGADMP C[N@H+]1CCCC2(CCN(Cc3nc(Cl)ccc3F)CC2)C1 ZINC001276577672 1092449862 /nfs/dbraw/zinc/44/98/62/1092449862.db2.gz CCSDIFAIZWQFON-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001208693400 1092460590 /nfs/dbraw/zinc/46/05/90/1092460590.db2.gz PAGGEGWHUUAZBS-WOJBJXKFSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001208693400 1092460595 /nfs/dbraw/zinc/46/05/95/1092460595.db2.gz PAGGEGWHUUAZBS-WOJBJXKFSA-N 2 1 320.521 3.247 20 0 DGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001208693400 1092460600 /nfs/dbraw/zinc/46/06/00/1092460600.db2.gz PAGGEGWHUUAZBS-WOJBJXKFSA-N 2 1 320.521 3.247 20 0 DGADMP CC/C=C\CC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001208727247 1092475051 /nfs/dbraw/zinc/47/50/51/1092475051.db2.gz LALWGGVVFCFKQR-XOIGSVRCSA-N 2 1 306.494 3.023 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001208727247 1092475064 /nfs/dbraw/zinc/47/50/64/1092475064.db2.gz LALWGGVVFCFKQR-XOIGSVRCSA-N 2 1 306.494 3.023 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001208727247 1092475076 /nfs/dbraw/zinc/47/50/76/1092475076.db2.gz LALWGGVVFCFKQR-XOIGSVRCSA-N 2 1 306.494 3.023 20 0 DGADMP CC/C=C\CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001208727932 1092475761 /nfs/dbraw/zinc/47/57/61/1092475761.db2.gz WLDQWSRKCXTMAM-DHJFXDNESA-N 2 1 306.494 3.023 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001208727932 1092475767 /nfs/dbraw/zinc/47/57/67/1092475767.db2.gz WLDQWSRKCXTMAM-DHJFXDNESA-N 2 1 306.494 3.023 20 0 DGADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001208727932 1092475773 /nfs/dbraw/zinc/47/57/73/1092475773.db2.gz WLDQWSRKCXTMAM-DHJFXDNESA-N 2 1 306.494 3.023 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCCC3)c1)C2 ZINC001169095287 1092525379 /nfs/dbraw/zinc/52/53/79/1092525379.db2.gz OQSQATIIGJCCFY-LDLYASANSA-N 2 1 313.489 3.392 20 0 DGADMP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169100021 1092530489 /nfs/dbraw/zinc/53/04/89/1092530489.db2.gz ZKXXUVNJLNVKPN-NNZMDNLPSA-N 2 1 302.462 3.231 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1-c1cccnc1)C2 ZINC001169101185 1092531564 /nfs/dbraw/zinc/53/15/64/1092531564.db2.gz OTBAXEUQHZOGNU-LDLYASANSA-N 2 1 307.441 3.463 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccccc1Br)C2 ZINC001169092410 1092539047 /nfs/dbraw/zinc/53/90/47/1092539047.db2.gz BVKCIDXZYHKRGP-QDMKHBRRSA-N 2 1 323.278 3.206 20 0 DGADMP COc1ccccc1CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169116235 1092539264 /nfs/dbraw/zinc/53/92/64/1092539264.db2.gz PHKFHKHXKJNQML-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC001169092096 1092540276 /nfs/dbraw/zinc/54/02/76/1092540276.db2.gz XKKLWJAPZIJZHR-QDMKHBRRSA-N 2 1 309.251 3.164 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC001169092096 1092540285 /nfs/dbraw/zinc/54/02/85/1092540285.db2.gz XKKLWJAPZIJZHR-QDMKHBRRSA-N 2 1 309.251 3.164 20 0 DGADMP COc1cccc(CC2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169120215 1092543586 /nfs/dbraw/zinc/54/35/86/1092543586.db2.gz ZQAOWSFJKHOQBV-BCDXTJNWSA-N 2 1 314.473 3.375 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169108371 1092553326 /nfs/dbraw/zinc/55/33/26/1092553326.db2.gz SDSNJMLVPPPZDF-PHZGNYQRSA-N 2 1 323.278 3.472 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccccc3)C1)C2 ZINC001169140776 1092557289 /nfs/dbraw/zinc/55/72/89/1092557289.db2.gz LYOIACGKWXNYBO-SFNKJDCFSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccccc3)C1)C2 ZINC001169140776 1092557300 /nfs/dbraw/zinc/55/73/00/1092557300.db2.gz LYOIACGKWXNYBO-SFNKJDCFSA-N 2 1 300.446 3.155 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3ccccc3)C1)C2 ZINC001169140776 1092557311 /nfs/dbraw/zinc/55/73/11/1092557311.db2.gz LYOIACGKWXNYBO-SFNKJDCFSA-N 2 1 300.446 3.155 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1CC[NH2+]C3)C2 ZINC001169142643 1092560082 /nfs/dbraw/zinc/56/00/82/1092560082.db2.gz FDTDGAMUSMISMP-QDMKHBRRSA-N 2 1 313.420 3.224 20 0 DGADMP COc1ccc(C2=CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)cc1 ZINC001169154214 1092566041 /nfs/dbraw/zinc/56/60/41/1092566041.db2.gz OMHGGLBWALIJNC-BWTSREIZSA-N 2 1 312.457 3.410 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169154214 1092566053 /nfs/dbraw/zinc/56/60/53/1092566053.db2.gz OMHGGLBWALIJNC-BWTSREIZSA-N 2 1 312.457 3.410 20 0 DGADMP COc1ccc(C2=CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169154214 1092566067 /nfs/dbraw/zinc/56/60/67/1092566067.db2.gz OMHGGLBWALIJNC-BWTSREIZSA-N 2 1 312.457 3.410 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169155470 1092570619 /nfs/dbraw/zinc/57/06/19/1092570619.db2.gz PHFDKUWHQKXHDK-BDXSIMOUSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169155470 1092570628 /nfs/dbraw/zinc/57/06/28/1092570628.db2.gz PHFDKUWHQKXHDK-BDXSIMOUSA-N 2 1 300.446 3.110 20 0 DGADMP COc1ccc([C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169155470 1092570639 /nfs/dbraw/zinc/57/06/39/1092570639.db2.gz PHFDKUWHQKXHDK-BDXSIMOUSA-N 2 1 300.446 3.110 20 0 DGADMP CC[N@@H+](C)C1CC[NH+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001208910382 1092579793 /nfs/dbraw/zinc/57/97/93/1092579793.db2.gz GIMMAHAWNAXTTP-UHFFFAOYSA-N 2 1 315.505 3.319 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206004383 1092582516 /nfs/dbraw/zinc/58/25/16/1092582516.db2.gz RYTMKJRAXSFTNP-MNOVXSKESA-N 2 1 302.249 3.195 20 0 DGADMP COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931241 1092593238 /nfs/dbraw/zinc/59/32/38/1092593238.db2.gz IPTDSGPPTJSVPJ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931241 1092593251 /nfs/dbraw/zinc/59/32/51/1092593251.db2.gz IPTDSGPPTJSVPJ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931241 1092593260 /nfs/dbraw/zinc/59/32/60/1092593260.db2.gz IPTDSGPPTJSVPJ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931241 1092593268 /nfs/dbraw/zinc/59/32/68/1092593268.db2.gz IPTDSGPPTJSVPJ-OALUTQOASA-N 2 1 302.462 3.009 20 0 DGADMP C[N@@H+](CCc1ccncc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931684 1092596610 /nfs/dbraw/zinc/59/66/10/1092596610.db2.gz CNPLSGRNMWRHIC-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1ccncc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931684 1092596615 /nfs/dbraw/zinc/59/66/15/1092596615.db2.gz CNPLSGRNMWRHIC-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP C[NH+](CCc1ccncc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931684 1092596620 /nfs/dbraw/zinc/59/66/20/1092596620.db2.gz CNPLSGRNMWRHIC-NRFANRHFSA-N 2 1 323.484 3.468 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(COC4)CC3)C2)cc1 ZINC001208932854 1092598169 /nfs/dbraw/zinc/59/81/69/1092598169.db2.gz RIRZBWHCLWJRGT-IBGZPJMESA-N 2 1 314.473 3.011 20 0 DGADMP CCO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938135 1092600253 /nfs/dbraw/zinc/60/02/53/1092600253.db2.gz WYUPJRBNPALFMF-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938135 1092600256 /nfs/dbraw/zinc/60/02/56/1092600256.db2.gz WYUPJRBNPALFMF-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CCO[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938135 1092600261 /nfs/dbraw/zinc/60/02/61/1092600261.db2.gz WYUPJRBNPALFMF-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936997 1092600794 /nfs/dbraw/zinc/60/07/94/1092600794.db2.gz QIOLNVHJCRNIAP-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936997 1092600800 /nfs/dbraw/zinc/60/08/00/1092600800.db2.gz QIOLNVHJCRNIAP-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936997 1092600806 /nfs/dbraw/zinc/60/08/06/1092600806.db2.gz QIOLNVHJCRNIAP-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001208936997 1092600813 /nfs/dbraw/zinc/60/08/13/1092600813.db2.gz QIOLNVHJCRNIAP-IBGZPJMESA-N 2 1 316.489 3.400 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208941559 1092601873 /nfs/dbraw/zinc/60/18/73/1092601873.db2.gz BICSQNDWMJHJOW-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208941559 1092601882 /nfs/dbraw/zinc/60/18/82/1092601882.db2.gz BICSQNDWMJHJOW-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208941559 1092601887 /nfs/dbraw/zinc/60/18/87/1092601887.db2.gz BICSQNDWMJHJOW-SLFFLAALSA-N 2 1 314.473 3.009 20 0 DGADMP CCN1CCC([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001169231167 1092604199 /nfs/dbraw/zinc/60/41/99/1092604199.db2.gz TWJOFLSNETWVJG-UHFFFAOYSA-N 2 1 307.526 3.105 20 0 DGADMP COC1(C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948482 1092606501 /nfs/dbraw/zinc/60/65/01/1092606501.db2.gz QRQTXAZCHIASLG-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CC[NH+]1CCC(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001169263970 1092606775 /nfs/dbraw/zinc/60/67/75/1092606775.db2.gz GAQOPDVMWAQSRT-QZTJIDSGSA-N 2 1 315.505 3.066 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2nccn2c1 ZINC001143027153 1092607477 /nfs/dbraw/zinc/60/74/77/1092607477.db2.gz LJSZPCYTCAKROG-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2nccn2c1 ZINC001143027153 1092607483 /nfs/dbraw/zinc/60/74/83/1092607483.db2.gz LJSZPCYTCAKROG-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2nccn2c1 ZINC001143027153 1092607487 /nfs/dbraw/zinc/60/74/87/1092607487.db2.gz LJSZPCYTCAKROG-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2nccn2c1 ZINC001143027153 1092607493 /nfs/dbraw/zinc/60/74/93/1092607493.db2.gz LJSZPCYTCAKROG-ROUUACIJSA-N 2 1 312.461 3.173 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208953604 1092607770 /nfs/dbraw/zinc/60/77/70/1092607770.db2.gz RDZDJDPQCFCRQT-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208953604 1092607773 /nfs/dbraw/zinc/60/77/73/1092607773.db2.gz RDZDJDPQCFCRQT-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208953604 1092607780 /nfs/dbraw/zinc/60/77/80/1092607780.db2.gz RDZDJDPQCFCRQT-PMACEKPBSA-N 2 1 314.473 3.011 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951688 1092608207 /nfs/dbraw/zinc/60/82/07/1092608207.db2.gz AZMGGXLTOTVRJJ-WRURNZQNSA-N 2 1 314.473 3.150 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951688 1092608209 /nfs/dbraw/zinc/60/82/09/1092608209.db2.gz AZMGGXLTOTVRJJ-WRURNZQNSA-N 2 1 314.473 3.150 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951688 1092608213 /nfs/dbraw/zinc/60/82/13/1092608213.db2.gz AZMGGXLTOTVRJJ-WRURNZQNSA-N 2 1 314.473 3.150 20 0 DGADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951688 1092608215 /nfs/dbraw/zinc/60/82/15/1092608215.db2.gz AZMGGXLTOTVRJJ-WRURNZQNSA-N 2 1 314.473 3.150 20 0 DGADMP FC1(F)C[C@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208950621 1092608542 /nfs/dbraw/zinc/60/85/42/1092608542.db2.gz VYDYUDLKZKEHCH-IRXDYDNUSA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208950621 1092608547 /nfs/dbraw/zinc/60/85/47/1092608547.db2.gz VYDYUDLKZKEHCH-IRXDYDNUSA-N 2 1 306.400 3.240 20 0 DGADMP FC1(F)C[C@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208950621 1092608552 /nfs/dbraw/zinc/60/85/52/1092608552.db2.gz VYDYUDLKZKEHCH-IRXDYDNUSA-N 2 1 306.400 3.240 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@H](c4ccccn4)C3)C2)cc1 ZINC001208949655 1092609076 /nfs/dbraw/zinc/60/90/76/1092609076.db2.gz MWFSYFFJVBAGMH-UXHICEINSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H](c4ccccn4)C3)C2)cc1 ZINC001208949655 1092609081 /nfs/dbraw/zinc/60/90/81/1092609081.db2.gz MWFSYFFJVBAGMH-UXHICEINSA-N 2 1 321.468 3.393 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H](c4ccccn4)C3)C2)cc1 ZINC001208949655 1092609087 /nfs/dbraw/zinc/60/90/87/1092609087.db2.gz MWFSYFFJVBAGMH-UXHICEINSA-N 2 1 321.468 3.393 20 0 DGADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950962 1092609423 /nfs/dbraw/zinc/60/94/23/1092609423.db2.gz XTNGDJFRJAMBSH-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950962 1092609427 /nfs/dbraw/zinc/60/94/27/1092609427.db2.gz XTNGDJFRJAMBSH-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP CCO[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950962 1092609431 /nfs/dbraw/zinc/60/94/31/1092609431.db2.gz XTNGDJFRJAMBSH-RTBURBONSA-N 2 1 302.462 3.009 20 0 DGADMP COCCC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951189 1092610053 /nfs/dbraw/zinc/61/00/53/1092610053.db2.gz ZIMAOKZBILGMQO-FQEVSTJZSA-N 2 1 316.489 3.257 20 0 DGADMP CCN1CCC([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001169240960 1092612067 /nfs/dbraw/zinc/61/20/67/1092612067.db2.gz NUIMPUYCDSDPEG-UHFFFAOYSA-N 2 1 322.880 3.420 20 0 DGADMP CCN1CCC([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241862 1092613496 /nfs/dbraw/zinc/61/34/96/1092613496.db2.gz QMJRAPUJXOHSBM-IYARVYRRSA-N 2 1 307.526 3.233 20 0 DGADMP CC[NH+]1CCC([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241862 1092613498 /nfs/dbraw/zinc/61/34/98/1092613498.db2.gz QMJRAPUJXOHSBM-IYARVYRRSA-N 3 1 307.526 3.233 20 0 DGADMP CC[NH+]1CCC([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241862 1092613501 /nfs/dbraw/zinc/61/35/01/1092613501.db2.gz QMJRAPUJXOHSBM-IYARVYRRSA-N 3 1 307.526 3.233 20 0 DGADMP CC[NH+]1CCC([N@@H+]2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)CC1 ZINC001169258944 1092621195 /nfs/dbraw/zinc/62/11/95/1092621195.db2.gz VREKWQNDUJUBKK-OXJNMPFZSA-N 2 1 316.489 3.476 20 0 DGADMP CC[NH+]1CCC([N@H+]2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)CC1 ZINC001169258944 1092621198 /nfs/dbraw/zinc/62/11/98/1092621198.db2.gz VREKWQNDUJUBKK-OXJNMPFZSA-N 2 1 316.489 3.476 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)CCOC(=O)c2ccccc2)CC1 ZINC001209048089 1092632627 /nfs/dbraw/zinc/63/26/27/1092632627.db2.gz PRUONAJRDDFYFN-UHFFFAOYSA-N 2 1 318.461 3.040 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)CCOC(=O)c2ccccc2)CC1 ZINC001209048089 1092632637 /nfs/dbraw/zinc/63/26/37/1092632637.db2.gz PRUONAJRDDFYFN-UHFFFAOYSA-N 2 1 318.461 3.040 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3cccnc3[nH]2)CC1 ZINC001143220323 1092636951 /nfs/dbraw/zinc/63/69/51/1092636951.db2.gz JLUUNDWOESDDKJ-UHFFFAOYSA-N 2 1 300.450 3.115 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCn2c(C)ncc2C1 ZINC001209094675 1092649914 /nfs/dbraw/zinc/64/99/14/1092649914.db2.gz WVWLJTQJCXPCLB-UHFFFAOYSA-N 2 1 321.465 3.301 20 0 DGADMP COC(=O)CCCCCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209098372 1092651805 /nfs/dbraw/zinc/65/18/05/1092651805.db2.gz PXGXQHYEZGERQQ-UHFFFAOYSA-N 2 1 321.465 3.035 20 0 DGADMP COC(=O)CCCCCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209098372 1092651809 /nfs/dbraw/zinc/65/18/09/1092651809.db2.gz PXGXQHYEZGERQQ-UHFFFAOYSA-N 2 1 321.465 3.035 20 0 DGADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c2ccccc21 ZINC001169369289 1092657533 /nfs/dbraw/zinc/65/75/33/1092657533.db2.gz ZWAAYIXUMWGMEM-GUYCJALGSA-N 2 1 323.444 3.065 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209126516 1092666343 /nfs/dbraw/zinc/66/63/43/1092666343.db2.gz FWNFNXGUTNKPBZ-HZPDHXFCSA-N 2 1 312.379 3.131 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209126516 1092666346 /nfs/dbraw/zinc/66/63/46/1092666346.db2.gz FWNFNXGUTNKPBZ-HZPDHXFCSA-N 2 1 312.379 3.131 20 0 DGADMP COCc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001276635072 1092739722 /nfs/dbraw/zinc/73/97/22/1092739722.db2.gz ANHSEWSDIAKWPC-UHFFFAOYSA-N 2 1 302.462 3.141 20 0 DGADMP CCOC(=O)CCCCCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001209352132 1092742579 /nfs/dbraw/zinc/74/25/79/1092742579.db2.gz MJMBZEAZWAZKQS-UHFFFAOYSA-N 2 1 312.498 3.306 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC001206633336 1092766656 /nfs/dbraw/zinc/76/66/56/1092766656.db2.gz WHDPDOFLMCZSJN-ZDUSSCGKSA-N 2 1 316.367 3.275 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC001206633336 1092766664 /nfs/dbraw/zinc/76/66/64/1092766664.db2.gz WHDPDOFLMCZSJN-ZDUSSCGKSA-N 2 1 316.367 3.275 20 0 DGADMP CCCc1noc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209451446 1092778205 /nfs/dbraw/zinc/77/82/05/1092778205.db2.gz ZKSVAGWFCGBUAE-INIZCTEOSA-N 2 1 320.481 3.078 20 0 DGADMP CCCc1noc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209451446 1092778216 /nfs/dbraw/zinc/77/82/16/1092778216.db2.gz ZKSVAGWFCGBUAE-INIZCTEOSA-N 2 1 320.481 3.078 20 0 DGADMP CC(C)c1noc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209450784 1092778913 /nfs/dbraw/zinc/77/89/13/1092778913.db2.gz LQDLFLOVEIFVDJ-INIZCTEOSA-N 2 1 320.481 3.248 20 0 DGADMP CC(C)c1noc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC001209450784 1092778921 /nfs/dbraw/zinc/77/89/21/1092778921.db2.gz LQDLFLOVEIFVDJ-INIZCTEOSA-N 2 1 320.481 3.248 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001276646707 1092793989 /nfs/dbraw/zinc/79/39/89/1092793989.db2.gz HLMUKTULNZDJNW-YQQQUEKLSA-N 2 1 316.493 3.465 20 0 DGADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001276646707 1092794000 /nfs/dbraw/zinc/79/40/00/1092794000.db2.gz HLMUKTULNZDJNW-YQQQUEKLSA-N 2 1 316.493 3.465 20 0 DGADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001276647050 1092795626 /nfs/dbraw/zinc/79/56/26/1092795626.db2.gz VYZIZKRTTFVLHQ-YQQQUEKLSA-N 2 1 324.509 3.162 20 0 DGADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001276647050 1092795634 /nfs/dbraw/zinc/79/56/34/1092795634.db2.gz VYZIZKRTTFVLHQ-YQQQUEKLSA-N 2 1 324.509 3.162 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1OC(C)C ZINC001276660784 1092861021 /nfs/dbraw/zinc/86/10/21/1092861021.db2.gz KNDCZDXCBUSYIY-AYHJJNSGSA-N 2 1 302.462 3.497 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccc1OC(C)C ZINC001276660784 1092861028 /nfs/dbraw/zinc/86/10/28/1092861028.db2.gz KNDCZDXCBUSYIY-AYHJJNSGSA-N 2 1 302.462 3.497 20 0 DGADMP Cc1nc2ccccn2c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209646734 1092861254 /nfs/dbraw/zinc/86/12/54/1092861254.db2.gz HKLDBTUPTGHOLE-UHFFFAOYSA-N 2 1 314.477 3.195 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)cc1Cl ZINC001209665287 1092871466 /nfs/dbraw/zinc/87/14/66/1092871466.db2.gz UWYGZHAXWWUTBN-UHFFFAOYSA-N 2 1 314.832 3.261 20 0 DGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(F)ccc34)C[C@@H]2C1 ZINC001209696928 1092882560 /nfs/dbraw/zinc/88/25/60/1092882560.db2.gz ZLBPCUYRBNBVQW-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(F)ccc34)C[C@@H]2C1 ZINC001209696928 1092882567 /nfs/dbraw/zinc/88/25/67/1092882567.db2.gz ZLBPCUYRBNBVQW-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(F)ccc34)C[C@@H]2C1 ZINC001209696928 1092882574 /nfs/dbraw/zinc/88/25/74/1092882574.db2.gz ZLBPCUYRBNBVQW-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cc(F)ccc34)C[C@@H]2C1 ZINC001209696928 1092882579 /nfs/dbraw/zinc/88/25/79/1092882579.db2.gz ZLBPCUYRBNBVQW-GASCZTMLSA-N 2 1 301.409 3.081 20 0 DGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001209728031 1092895112 /nfs/dbraw/zinc/89/51/12/1092895112.db2.gz BYKBCZOKQHILJW-UHFFFAOYSA-N 2 1 307.441 3.364 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001206641204 1092898708 /nfs/dbraw/zinc/89/87/08/1092898708.db2.gz UJUPVIWPITZTRO-AWEZNQCLSA-N 2 1 318.852 3.087 20 0 DGADMP COc1ccc2c(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)c[nH]c2c1 ZINC001276676867 1093020547 /nfs/dbraw/zinc/02/05/47/1093020547.db2.gz NZTMLFNUHODIRC-UHFFFAOYSA-N 2 1 313.445 3.094 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3N3CCCC3)C[C@H]2CC1 ZINC001276678270 1093039829 /nfs/dbraw/zinc/03/98/29/1093039829.db2.gz BVYUEYTUNMAQES-HDICACEKSA-N 2 1 313.489 3.060 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@H]2CC1 ZINC001276678270 1093039837 /nfs/dbraw/zinc/03/98/37/1093039837.db2.gz BVYUEYTUNMAQES-HDICACEKSA-N 2 1 313.489 3.060 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3N3CCCC3)C[C@H]2CC1 ZINC001276678270 1093039842 /nfs/dbraw/zinc/03/98/42/1093039842.db2.gz BVYUEYTUNMAQES-HDICACEKSA-N 2 1 313.489 3.060 20 0 DGADMP Cc1ccc2nc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc2c1 ZINC001210262323 1093100375 /nfs/dbraw/zinc/10/03/75/1093100375.db2.gz XIWWBPMFTFTYOD-UHFFFAOYSA-N 2 1 319.412 3.091 20 0 DGADMP CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001276708740 1093721272 /nfs/dbraw/zinc/72/12/72/1093721272.db2.gz ACCQTYIIBWXOCH-RLLQIKCJSA-N 2 1 321.553 3.351 20 0 DGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC1CC[NH2+]CC1 ZINC001276709197 1093729739 /nfs/dbraw/zinc/72/97/39/1093729739.db2.gz GZANEIJZDAIUEE-HOJAQTOUSA-N 2 1 321.553 3.351 20 0 DGADMP CCCC[C@@H](CC)CN1CC[C@H]2[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001276709197 1093729749 /nfs/dbraw/zinc/72/97/49/1093729749.db2.gz GZANEIJZDAIUEE-HOJAQTOUSA-N 2 1 321.553 3.351 20 0 DGADMP CCCC[C@@H](CC)CN1CC[C@H]2[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001276709197 1093729755 /nfs/dbraw/zinc/72/97/55/1093729755.db2.gz GZANEIJZDAIUEE-HOJAQTOUSA-N 2 1 321.553 3.351 20 0 DGADMP CC(C)[NH+](CCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000303377417 1093804713 /nfs/dbraw/zinc/80/47/13/1093804713.db2.gz ZHXFYDXNQOCCQZ-ICSRJNTNSA-N 2 1 317.521 3.358 20 0 DGADMP C[C@@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303393166 1093808843 /nfs/dbraw/zinc/80/88/43/1093808843.db2.gz JZKBIOVHSXUDSF-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP C[C@@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303393166 1093808849 /nfs/dbraw/zinc/80/88/49/1093808849.db2.gz JZKBIOVHSXUDSF-QUCCMNQESA-N 2 1 315.505 3.115 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276726233 1094018088 /nfs/dbraw/zinc/01/80/88/1094018088.db2.gz GZTZVDWDARDEIP-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276726233 1094018094 /nfs/dbraw/zinc/01/80/94/1094018094.db2.gz GZTZVDWDARDEIP-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001276726233 1094018100 /nfs/dbraw/zinc/01/81/00/1094018100.db2.gz GZTZVDWDARDEIP-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001276726233 1094018108 /nfs/dbraw/zinc/01/81/08/1094018108.db2.gz GZTZVDWDARDEIP-IBGZPJMESA-N 2 1 314.429 3.359 20 0 DGADMP COc1ccc2oc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)cc2c1 ZINC001276725681 1094022636 /nfs/dbraw/zinc/02/26/36/1094022636.db2.gz CXBYDDZAPWDNAJ-UHFFFAOYSA-N 2 1 314.429 3.359 20 0 DGADMP C[N@H+]1CCc2ncc(Nc3c[nH+]cn3Cc3ccccc3)cc2C1 ZINC001216549803 1094216065 /nfs/dbraw/zinc/21/60/65/1094216065.db2.gz VPMAVPJKOQVOSL-UHFFFAOYSA-N 2 1 319.412 3.058 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001276746933 1094257383 /nfs/dbraw/zinc/25/73/83/1094257383.db2.gz SCTQOUXODDOUQH-UHFFFAOYSA-N 2 1 324.415 3.248 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001119987899 1094336480 /nfs/dbraw/zinc/33/64/80/1094336480.db2.gz BXNVVLSKPPQGHL-ULQDDVLXSA-N 2 1 320.452 3.387 20 0 DGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001119987900 1094336731 /nfs/dbraw/zinc/33/67/31/1094336731.db2.gz BXNVVLSKPPQGHL-YESZJQIVSA-N 2 1 320.452 3.387 20 0 DGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(C(C)(C)C)co1)CC2 ZINC001120064873 1094369430 /nfs/dbraw/zinc/36/94/30/1094369430.db2.gz YKWKDUVFAYBJMK-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP Cc1[nH+]c2ccc(Br)cn2c1NC1=C[NH2+]CCC1 ZINC001159372517 1094384849 /nfs/dbraw/zinc/38/48/49/1094384849.db2.gz ZMQFGFRFHKITTK-UHFFFAOYSA-N 2 1 307.195 3.042 20 0 DGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170798473 1094421985 /nfs/dbraw/zinc/42/19/85/1094421985.db2.gz BDNPRZLBFNWDPY-AWEZNQCLSA-N 2 1 308.853 3.159 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCCOCC2)CC1 ZINC001170798841 1094422111 /nfs/dbraw/zinc/42/21/11/1094422111.db2.gz CSQVLSPNTIGSCM-GUDVDZBRSA-N 2 1 320.452 3.467 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCOCC2)CC1 ZINC001170800186 1094428918 /nfs/dbraw/zinc/42/89/18/1094428918.db2.gz VHVSSWBZVRNKMI-GUDVDZBRSA-N 2 1 302.462 3.328 20 0 DGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(-c2ccc(F)cc2)o1 ZINC001217752678 1094488893 /nfs/dbraw/zinc/48/88/93/1094488893.db2.gz XRIWLJIZEGNARG-AWEZNQCLSA-N 2 1 306.385 3.044 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCCCC[NH3+] ZINC001217769019 1094493177 /nfs/dbraw/zinc/49/31/77/1094493177.db2.gz JOEJJTXFIHWHBT-IEBWSBKVSA-N 2 1 304.478 3.433 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@H]1CCC[NH2+]1 ZINC001217850419 1094504835 /nfs/dbraw/zinc/50/48/35/1094504835.db2.gz RWZASEKHYIKWTJ-QZTJIDSGSA-N 2 1 302.462 3.056 20 0 DGADMP Clc1ccc(C[N@H+]2CC[C@H](OCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217909323 1094515632 /nfs/dbraw/zinc/51/56/32/1094515632.db2.gz GPFMGHSEEKDOEI-YJBOKZPZSA-N 2 1 322.880 3.321 20 0 DGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCCOCC2)CC3)co1 ZINC001170819807 1094561545 /nfs/dbraw/zinc/56/15/45/1094561545.db2.gz HHCPMTXRCITOLN-SFHVURJKSA-N 2 1 318.461 3.137 20 0 DGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767276 1094563904 /nfs/dbraw/zinc/56/39/04/1094563904.db2.gz NMWAUQCIHVOXIS-IBGZPJMESA-N 2 1 300.446 3.025 20 0 DGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767276 1094563907 /nfs/dbraw/zinc/56/39/07/1094563907.db2.gz NMWAUQCIHVOXIS-IBGZPJMESA-N 2 1 300.446 3.025 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767276 1094563913 /nfs/dbraw/zinc/56/39/13/1094563913.db2.gz NMWAUQCIHVOXIS-IBGZPJMESA-N 2 1 300.446 3.025 20 0 DGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001276767276 1094563917 /nfs/dbraw/zinc/56/39/17/1094563917.db2.gz NMWAUQCIHVOXIS-IBGZPJMESA-N 2 1 300.446 3.025 20 0 DGADMP CCn1cc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC001336254008 1094604217 /nfs/dbraw/zinc/60/42/17/1094604217.db2.gz PHJJKUXYPPERLM-INIZCTEOSA-N 2 1 314.477 3.212 20 0 DGADMP CCn1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC001336254008 1094604228 /nfs/dbraw/zinc/60/42/28/1094604228.db2.gz PHJJKUXYPPERLM-INIZCTEOSA-N 2 1 314.477 3.212 20 0 DGADMP CCn1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC001336254008 1094604237 /nfs/dbraw/zinc/60/42/37/1094604237.db2.gz PHJJKUXYPPERLM-INIZCTEOSA-N 2 1 314.477 3.212 20 0 DGADMP c1ccc(COCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC001336272239 1094611493 /nfs/dbraw/zinc/61/14/93/1094611493.db2.gz RPGNAHVYQGOHJD-CTXDPNEZSA-N 2 1 314.473 3.341 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H](Oc3cccc4c3C[NH2+]C4)C2)cc1 ZINC001218175666 1094644246 /nfs/dbraw/zinc/64/42/46/1094644246.db2.gz DXCJMJIQLPKKMR-SFHVURJKSA-N 2 1 308.425 3.333 20 0 DGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)CCC(C)C ZINC001336720691 1094708754 /nfs/dbraw/zinc/70/87/54/1094708754.db2.gz FNESFLVVAREXKF-QGZVFWFLSA-N 2 1 301.434 3.067 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001336811675 1094746746 /nfs/dbraw/zinc/74/67/46/1094746746.db2.gz PWXMBIVAIZVZDH-UZLBHIALSA-N 2 1 312.457 3.195 20 0 DGADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001336888925 1094774665 /nfs/dbraw/zinc/77/46/65/1094774665.db2.gz PBDGKVOJSXUGSQ-KKUMJFAQSA-N 2 1 307.507 3.429 20 0 DGADMP [NH3+]Cc1ccccc1O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001218440464 1094774585 /nfs/dbraw/zinc/77/45/85/1094774585.db2.gz DYGRASTVUHMIDC-IRFCIJBXSA-N 2 1 322.452 3.435 20 0 DGADMP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995452 1094785056 /nfs/dbraw/zinc/78/50/56/1094785056.db2.gz FWOKBVPASUZDCZ-IRXDYDNUSA-N 2 1 313.530 3.172 20 0 DGADMP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1N ZINC000310406090 1094928261 /nfs/dbraw/zinc/92/82/61/1094928261.db2.gz LRJRQUONUFCLBX-YQVWRLOYSA-N 2 1 322.456 3.295 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534911 1095010800 /nfs/dbraw/zinc/01/08/00/1095010800.db2.gz NNDXAMDYPATPRP-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534911 1095010815 /nfs/dbraw/zinc/01/08/15/1095010815.db2.gz NNDXAMDYPATPRP-YOEHRIQHSA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534910 1095010938 /nfs/dbraw/zinc/01/09/38/1095010938.db2.gz NNDXAMDYPATPRP-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC001337534910 1095010951 /nfs/dbraw/zinc/01/09/51/1095010951.db2.gz NNDXAMDYPATPRP-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000314094534 1095035266 /nfs/dbraw/zinc/03/52/66/1095035266.db2.gz YDYHWLPOPFUHIB-CYBMUJFWSA-N 2 1 302.340 3.146 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)[C@H](C)C1 ZINC001170977278 1095067519 /nfs/dbraw/zinc/06/75/19/1095067519.db2.gz NSBHLRVXASSYSS-IDHHARJASA-N 2 1 304.453 3.391 20 0 DGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4cccc(F)c4C3)C2)CC1 ZINC001170999126 1095112882 /nfs/dbraw/zinc/11/28/82/1095112882.db2.gz AYZFLBSITCVQDV-MRXNPFEDSA-N 2 1 302.437 3.101 20 0 DGADMP c1csc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CCCC2)c1 ZINC000316782978 1095190780 /nfs/dbraw/zinc/19/07/80/1095190780.db2.gz VZBOFEMURMQVLB-LZLYRXPVSA-N 2 1 320.502 3.432 20 0 DGADMP c1csc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CCCC2)c1 ZINC000316782978 1095190782 /nfs/dbraw/zinc/19/07/82/1095190782.db2.gz VZBOFEMURMQVLB-LZLYRXPVSA-N 2 1 320.502 3.432 20 0 DGADMP c1ncc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC001136873364 1095210405 /nfs/dbraw/zinc/21/04/05/1095210405.db2.gz OEZQIJKPBGWKKP-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP c1nc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c[nH]1 ZINC001136873364 1095210409 /nfs/dbraw/zinc/21/04/09/1095210409.db2.gz OEZQIJKPBGWKKP-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP c1nc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c[nH]1 ZINC001136873364 1095210416 /nfs/dbraw/zinc/21/04/16/1095210416.db2.gz OEZQIJKPBGWKKP-UHFFFAOYSA-N 2 1 324.472 3.288 20 0 DGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171056156 1095212656 /nfs/dbraw/zinc/21/26/56/1095212656.db2.gz KSMSIPZMGJTPGO-IIDMSEBBSA-N 2 1 304.865 3.081 20 0 DGADMP CC(C)[PH+](CCNC(=O)c1cnc([C@@H](C)[NH3+])s1)C(C)C ZINC001221256767 1095226632 /nfs/dbraw/zinc/22/66/32/1095226632.db2.gz LLDPMAWRHAOACZ-LLVKDONJSA-N 2 1 315.423 3.191 20 0 DGADMP C(CN1CCCC2(CCCC[NH2+]C2)CCC1)[C@@H]1CCCC[NH2+]1 ZINC001222110097 1095436108 /nfs/dbraw/zinc/43/61/08/1095436108.db2.gz XDVWRYOFGGZQCT-SFHVURJKSA-N 2 1 307.526 3.155 20 0 DGADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532119 1095454568 /nfs/dbraw/zinc/45/45/68/1095454568.db2.gz UASGOEZEGNPSDS-SWLSCSKDSA-N 2 1 311.267 3.193 20 0 DGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)nc1 ZINC001222149268 1095459754 /nfs/dbraw/zinc/45/97/54/1095459754.db2.gz WYSHITKDZBUUMB-FQEVSTJZSA-N 2 1 307.441 3.324 20 0 DGADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161928 1095469029 /nfs/dbraw/zinc/46/90/29/1095469029.db2.gz UALLDKQEACFVOR-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161928 1095469035 /nfs/dbraw/zinc/46/90/35/1095469035.db2.gz UALLDKQEACFVOR-IBGZPJMESA-N 2 1 312.461 3.080 20 0 DGADMP CC(=O)OC(C)(C)CCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161848 1095469384 /nfs/dbraw/zinc/46/93/84/1095469384.db2.gz RMOALVQMGMDUHS-IBGZPJMESA-N 2 1 324.509 3.354 20 0 DGADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1O ZINC001222166683 1095470719 /nfs/dbraw/zinc/47/07/19/1095470719.db2.gz BYLFDTGKHWMRTO-LJQANCHMSA-N 2 1 302.462 3.446 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001222172108 1095475656 /nfs/dbraw/zinc/47/56/56/1095475656.db2.gz IYKNZBGSCXZVAZ-FQEVSTJZSA-N 3 1 313.489 3.036 20 0 DGADMP c1cc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001222172108 1095475664 /nfs/dbraw/zinc/47/56/64/1095475664.db2.gz IYKNZBGSCXZVAZ-FQEVSTJZSA-N 2 1 313.489 3.036 20 0 DGADMP CNc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222171846 1095476696 /nfs/dbraw/zinc/47/66/96/1095476696.db2.gz GFLCXVRCRMFAFA-IBGZPJMESA-N 2 1 301.478 3.474 20 0 DGADMP Clc1ccc2c(c1)CC[C@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171131749 1095489366 /nfs/dbraw/zinc/48/93/66/1095489366.db2.gz AXHONBDFERELMF-SFHVURJKSA-N 2 1 304.865 3.367 20 0 DGADMP CC(C)Oc1cc(F)c(C[NH+]2CCC3(CC([NH3+])C3)CC2)c(F)c1 ZINC001222215489 1095496471 /nfs/dbraw/zinc/49/64/71/1095496471.db2.gz FVVSABXAGCQIIN-UHFFFAOYSA-N 2 1 324.415 3.455 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136201 1095500921 /nfs/dbraw/zinc/50/09/21/1095500921.db2.gz SNDPGXBJLZMVQZ-ROUUACIJSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136201 1095500931 /nfs/dbraw/zinc/50/09/31/1095500931.db2.gz SNDPGXBJLZMVQZ-ROUUACIJSA-N 2 1 304.865 3.225 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171136201 1095500939 /nfs/dbraw/zinc/50/09/39/1095500939.db2.gz SNDPGXBJLZMVQZ-ROUUACIJSA-N 2 1 304.865 3.225 20 0 DGADMP COc1cc(C)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1C ZINC001222243974 1095507538 /nfs/dbraw/zinc/50/75/38/1095507538.db2.gz RNFGCDGAEHSWIK-LJQANCHMSA-N 2 1 302.462 3.338 20 0 DGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1C ZINC001222243974 1095507548 /nfs/dbraw/zinc/50/75/48/1095507548.db2.gz RNFGCDGAEHSWIK-LJQANCHMSA-N 2 1 302.462 3.338 20 0 DGADMP Brc1ccc(CCC[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335362 1095556334 /nfs/dbraw/zinc/55/63/34/1095556334.db2.gz IUMWWWFNERZXTL-UHFFFAOYSA-N 2 1 323.278 3.067 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(C)c1C ZINC001222265353 1095519909 /nfs/dbraw/zinc/51/99/09/1095519909.db2.gz RUPFKTSIAXIZSK-LJQANCHMSA-N 2 1 302.462 3.278 20 0 DGADMP c1nc2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc2s1 ZINC001222272394 1095523756 /nfs/dbraw/zinc/52/37/56/1095523756.db2.gz SUVRSHIOYPVJLC-QGZVFWFLSA-N 2 1 301.459 3.262 20 0 DGADMP c1nc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc2s1 ZINC001222272394 1095523767 /nfs/dbraw/zinc/52/37/67/1095523767.db2.gz SUVRSHIOYPVJLC-QGZVFWFLSA-N 2 1 301.459 3.262 20 0 DGADMP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278276 1095525279 /nfs/dbraw/zinc/52/52/79/1095525279.db2.gz ZREOWNXPHRPDCI-IBGZPJMESA-N 2 1 302.462 3.278 20 0 DGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278276 1095525290 /nfs/dbraw/zinc/52/52/90/1095525290.db2.gz ZREOWNXPHRPDCI-IBGZPJMESA-N 2 1 302.462 3.278 20 0 DGADMP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc(N2CCCC2)c1 ZINC001222278240 1095525788 /nfs/dbraw/zinc/52/57/88/1095525788.db2.gz YRQDACGPLGZDHR-FQEVSTJZSA-N 2 1 313.489 3.252 20 0 DGADMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144129614 1095532984 /nfs/dbraw/zinc/53/29/84/1095532984.db2.gz NNGOIAISFZGQCS-UHFFFAOYSA-N 2 1 302.796 3.392 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(C)c1C ZINC001222308133 1095541028 /nfs/dbraw/zinc/54/10/28/1095541028.db2.gz HFEVLSNBJJQIIO-LJQANCHMSA-N 2 1 302.462 3.420 20 0 DGADMP Fc1cc(F)c(CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222310925 1095542830 /nfs/dbraw/zinc/54/28/30/1095542830.db2.gz YUXOQLLKEGFEKS-QGZVFWFLSA-N 2 1 312.379 3.255 20 0 DGADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222309799 1095543978 /nfs/dbraw/zinc/54/39/78/1095543978.db2.gz SLKRXUBVSBUQIX-KRWDZBQOSA-N 2 1 310.388 3.396 20 0 DGADMP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@]34CCC[NH2+]CC4)c2O1 ZINC001222314591 1095546807 /nfs/dbraw/zinc/54/68/07/1095546807.db2.gz ILIVHXAQKWAAHW-INIZCTEOSA-N 2 1 324.371 3.116 20 0 DGADMP FC1(F)Oc2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c2O1 ZINC001222314591 1095546811 /nfs/dbraw/zinc/54/68/11/1095546811.db2.gz ILIVHXAQKWAAHW-INIZCTEOSA-N 2 1 324.371 3.116 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171148525 1095550188 /nfs/dbraw/zinc/55/01/88/1095550188.db2.gz POQUGRYEHDQMMK-GXFFZTMASA-N 2 1 301.261 3.377 20 0 DGADMP c1ccc(N2CCC(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001222344607 1095562056 /nfs/dbraw/zinc/56/20/56/1095562056.db2.gz AOTKPZBSDQSWDN-HXUWFJFHSA-N 2 1 313.489 3.121 20 0 DGADMP CC1=CC[C@@H](CC[N@H+]2CCOCC3(CC[NH2+]CC3)C2)C1(C)C ZINC001222400797 1095597035 /nfs/dbraw/zinc/59/70/35/1095597035.db2.gz IAXYXICYCGSQRL-KRWDZBQOSA-N 2 1 306.494 3.071 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170136 1095629754 /nfs/dbraw/zinc/62/97/54/1095629754.db2.gz NHAGAAYYSSFXLD-XUVXKRRUSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170136 1095629763 /nfs/dbraw/zinc/62/97/63/1095629763.db2.gz NHAGAAYYSSFXLD-XUVXKRRUSA-N 2 1 318.505 3.346 20 0 DGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170136 1095629766 /nfs/dbraw/zinc/62/97/66/1095629766.db2.gz NHAGAAYYSSFXLD-XUVXKRRUSA-N 2 1 318.505 3.346 20 0 DGADMP [NH3+]CC1(F)CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001222531615 1095653970 /nfs/dbraw/zinc/65/39/70/1095653970.db2.gz FCMRSNVIIFQCLT-UHFFFAOYSA-N 2 1 308.294 3.107 20 0 DGADMP CC(C)C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222577181 1095674246 /nfs/dbraw/zinc/67/42/46/1095674246.db2.gz WMKZTFNPLOVIAG-IBGZPJMESA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1)c1ccccc1 ZINC001222596176 1095683141 /nfs/dbraw/zinc/68/31/41/1095683141.db2.gz RLVCTDZPCWOPEA-XLIONFOSSA-N 2 1 306.453 3.479 20 0 DGADMP Cc1ccc(CCC[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)o1 ZINC001222595856 1095683339 /nfs/dbraw/zinc/68/33/39/1095683339.db2.gz KOJMUSZQWMHLHN-LJQANCHMSA-N 2 1 310.441 3.210 20 0 DGADMP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C ZINC001222595639 1095683547 /nfs/dbraw/zinc/68/35/47/1095683547.db2.gz FTKVQUAXWJPSQS-IBGZPJMESA-N 2 1 322.452 3.193 20 0 DGADMP CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602198 1095688418 /nfs/dbraw/zinc/68/84/18/1095688418.db2.gz KCAFTZHHPIDYLT-HXUWFJFHSA-N 2 1 322.452 3.274 20 0 DGADMP CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602198 1095688424 /nfs/dbraw/zinc/68/84/24/1095688424.db2.gz KCAFTZHHPIDYLT-HXUWFJFHSA-N 2 1 322.452 3.274 20 0 DGADMP COc1c(C)cccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615668 1095695787 /nfs/dbraw/zinc/69/57/87/1095695787.db2.gz QZRDPCJVUBPMEN-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP COc1c(C)cccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615668 1095695794 /nfs/dbraw/zinc/69/57/94/1095695794.db2.gz QZRDPCJVUBPMEN-LJQANCHMSA-N 2 1 322.452 3.193 20 0 DGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222623166 1095698761 /nfs/dbraw/zinc/69/87/61/1095698761.db2.gz DHSUUTQMLPOPSY-HPFXQQBRSA-N 2 1 304.865 3.375 20 0 DGADMP Fc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC001222629444 1095699545 /nfs/dbraw/zinc/69/95/45/1095699545.db2.gz HGKGIWKMJLXINS-PHIMTYICSA-N 2 1 300.780 3.050 20 0 DGADMP Oc1cc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC001222629887 1095699954 /nfs/dbraw/zinc/69/99/54/1095699954.db2.gz QYFUDNFDPQWZNK-PHIMTYICSA-N 2 1 315.244 3.130 20 0 DGADMP COc1ccc2sc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC001222630078 1095702878 /nfs/dbraw/zinc/70/28/78/1095702878.db2.gz YCWPHPDGESERLB-OKILXGFUSA-N 2 1 316.470 3.341 20 0 DGADMP Cn1ccc2cc(C[NH+]3CCC4(CCC[N@@H+](C)C4)CC3)ccc21 ZINC001276840314 1095763300 /nfs/dbraw/zinc/76/33/00/1095763300.db2.gz MQZKDYGZGLQJRO-UHFFFAOYSA-N 2 1 311.473 3.486 20 0 DGADMP Oc1cccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1F ZINC001276845003 1095770078 /nfs/dbraw/zinc/77/00/78/1095770078.db2.gz FIWAYOMYOIPEIE-UHFFFAOYSA-N 2 1 318.436 3.372 20 0 DGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc2cccccc1-2 ZINC001276852028 1095797662 /nfs/dbraw/zinc/79/76/62/1095797662.db2.gz KPOXZOGQAHSFQC-SFTDATJTSA-N 2 1 323.484 3.002 20 0 DGADMP COc1cc(Cl)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118197733 1095956766 /nfs/dbraw/zinc/95/67/66/1095956766.db2.gz AEIYLUZZZYRKMH-UHFFFAOYSA-N 2 1 308.853 3.314 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246644186 1095957131 /nfs/dbraw/zinc/95/71/31/1095957131.db2.gz WZXNBFCGGLEUTF-ZDUSSCGKSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001340525802 1095969435 /nfs/dbraw/zinc/96/94/35/1095969435.db2.gz GBWLGMJNUZLBJT-BTHPGYMESA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001340525802 1095969442 /nfs/dbraw/zinc/96/94/42/1095969442.db2.gz GBWLGMJNUZLBJT-BTHPGYMESA-N 2 1 315.505 3.112 20 0 DGADMP Brc1ccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246823557 1095997885 /nfs/dbraw/zinc/99/78/85/1095997885.db2.gz PXYIMJHUNOYPOX-HOCLYGCPSA-N 2 1 323.278 3.381 20 0 DGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246839045 1096023520 /nfs/dbraw/zinc/02/35/20/1096023520.db2.gz HATAIQICOVKGNA-OAHLLOKOSA-N 2 1 323.278 3.413 20 0 DGADMP CC(C)c1cccc(NCc2ccccc2N2CC[NH2+]CC2)[nH+]1 ZINC001171281866 1096087493 /nfs/dbraw/zinc/08/74/93/1096087493.db2.gz RGQILUFAPAWCQC-UHFFFAOYSA-N 2 1 310.445 3.227 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCCC[NH+]1C ZINC001224706518 1096268311 /nfs/dbraw/zinc/26/83/11/1096268311.db2.gz KXMPTKKDQCOZTG-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCCC[N@@H+]1C ZINC001224706518 1096268316 /nfs/dbraw/zinc/26/83/16/1096268316.db2.gz KXMPTKKDQCOZTG-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224706518 1096268324 /nfs/dbraw/zinc/26/83/24/1096268324.db2.gz KXMPTKKDQCOZTG-HOJAQTOUSA-N 2 1 316.489 3.398 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[NH+]1CCCC1 ZINC001224751340 1096278565 /nfs/dbraw/zinc/27/85/65/1096278565.db2.gz YFMQITDTDZZQHK-HKUYNNGSSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+](C)CCCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001225000232 1096332574 /nfs/dbraw/zinc/33/25/74/1096332574.db2.gz FSZJZMAMTOZTDQ-SLFFLAALSA-N 2 1 316.489 3.255 20 0 DGADMP Cc1cc(N2CC[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]32)cc[nH+]1 ZINC001277064145 1096503709 /nfs/dbraw/zinc/50/37/09/1096503709.db2.gz FWASZEMJBYWMNV-DZGCQCFKSA-N 2 1 313.367 3.243 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171347651 1096510770 /nfs/dbraw/zinc/51/07/70/1096510770.db2.gz XHMVWVKWHVJEHG-WCXIOVBPSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171347651 1096510774 /nfs/dbraw/zinc/51/07/74/1096510774.db2.gz XHMVWVKWHVJEHG-WCXIOVBPSA-N 2 1 320.427 3.427 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c(F)cccc3C1)C2 ZINC001171404327 1096674946 /nfs/dbraw/zinc/67/49/46/1096674946.db2.gz INAQUHNOSXMRGD-NXOAAHMSSA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c(F)cccc3C1)C2 ZINC001171404327 1096674949 /nfs/dbraw/zinc/67/49/49/1096674949.db2.gz INAQUHNOSXMRGD-NXOAAHMSSA-N 2 1 302.437 3.288 20 0 DGADMP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434037 1096775240 /nfs/dbraw/zinc/77/52/40/1096775240.db2.gz PZFAJPFZYYWGNI-QGZVFWFLSA-N 2 1 304.453 3.489 20 0 DGADMP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439491 1096803165 /nfs/dbraw/zinc/80/31/65/1096803165.db2.gz AERLUCLTRRRRHO-QGZVFWFLSA-N 2 1 302.437 3.242 20 0 DGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439491 1096803171 /nfs/dbraw/zinc/80/31/71/1096803171.db2.gz AERLUCLTRRRRHO-QGZVFWFLSA-N 2 1 302.437 3.242 20 0 DGADMP C[NH+]1C(C)(C)CC([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1(C)C ZINC001171625737 1096938678 /nfs/dbraw/zinc/93/86/78/1096938678.db2.gz NCQZWNRXRQWBPA-UHFFFAOYSA-N 3 1 321.553 3.492 20 0 DGADMP COC[C@@]12CCC[C@@H]1C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171638682 1096947833 /nfs/dbraw/zinc/94/78/33/1096947833.db2.gz ZJPVFGLSUAJYMP-BEFAXECRSA-N 2 1 308.510 3.386 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]2c2cnccn2)CC1(C)C ZINC001171639767 1096949099 /nfs/dbraw/zinc/94/90/99/1096949099.db2.gz SRBSVIDGCNBKSF-MRXNPFEDSA-N 2 1 302.466 3.265 20 0 DGADMP Cc1nnc([C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)o1 ZINC001171643527 1096950519 /nfs/dbraw/zinc/95/05/19/1096950519.db2.gz WTLKUBQFONDRNU-CQSZACIVSA-N 2 1 320.481 3.209 20 0 DGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](COCC3CC3)C2)CC1(C)C ZINC001171642983 1096950838 /nfs/dbraw/zinc/95/08/38/1096950838.db2.gz OKJIFNIVRTVNNI-MRXNPFEDSA-N 2 1 308.510 3.386 20 0 DGADMP CCCC[N@@H+](C)CCCN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171725609 1096955993 /nfs/dbraw/zinc/95/59/93/1096955993.db2.gz NKBUIVCJYAFJON-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171725609 1096955994 /nfs/dbraw/zinc/95/59/94/1096955994.db2.gz NKBUIVCJYAFJON-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[NH+](C)CCCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725609 1096955998 /nfs/dbraw/zinc/95/59/98/1096955998.db2.gz NKBUIVCJYAFJON-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171725609 1096956001 /nfs/dbraw/zinc/95/60/01/1096956001.db2.gz NKBUIVCJYAFJON-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171725609 1096956002 /nfs/dbraw/zinc/95/60/02/1096956002.db2.gz NKBUIVCJYAFJON-QUCCMNQESA-N 2 1 317.521 3.361 20 0 DGADMP C[C@@H]1C[C@@H](n2ncc3cccc(C[NH3+])c32)C[N@H+]1Cc1ccccc1 ZINC001171730410 1096956776 /nfs/dbraw/zinc/95/67/76/1096956776.db2.gz YQKSVCFYTOHMNU-DNVCBOLYSA-N 2 1 320.440 3.331 20 0 DGADMP C[C@@H]1C[C@H](N2C[C@H](C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733008 1096957851 /nfs/dbraw/zinc/95/78/51/1096957851.db2.gz HEZJYWYNMXIWOK-NEWSRXKRSA-N 2 1 321.468 3.212 20 0 DGADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171759663 1096963436 /nfs/dbraw/zinc/96/34/36/1096963436.db2.gz LNZPAXIGQDSFIV-DFQSSKMNSA-N 2 1 315.505 3.066 20 0 DGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171783552 1096976368 /nfs/dbraw/zinc/97/63/68/1096976368.db2.gz TUWLDPROYLMZRD-MAUKXSAKSA-N 2 1 312.432 3.390 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786220 1096978082 /nfs/dbraw/zinc/97/80/82/1096978082.db2.gz YWKVSSBDHMXQCA-BRWVUGGUSA-N 2 1 302.437 3.275 20 0 DGADMP C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966130 1097008283 /nfs/dbraw/zinc/00/82/83/1097008283.db2.gz SMGFYQBFEYXJAO-IBGZPJMESA-N 2 1 315.505 3.113 20 0 DGADMP CC1(C)C[C@H](NCc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC001171970554 1097020296 /nfs/dbraw/zinc/02/02/96/1097020296.db2.gz CZPKANAOZUHCAJ-QGZVFWFLSA-N 2 1 310.445 3.009 20 0 DGADMP CC(C)(C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972010 1097021250 /nfs/dbraw/zinc/02/12/50/1097021250.db2.gz LMCXJZLPCZLRJK-MSOLQXFVSA-N 2 1 318.505 3.426 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171973339 1097022090 /nfs/dbraw/zinc/02/20/90/1097022090.db2.gz XTPUWYRJNLLSQK-GBESFXJTSA-N 2 1 316.489 3.323 20 0 DGADMP CC1(C)C[C@H](n2cnc3c2C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001171976286 1097022611 /nfs/dbraw/zinc/02/26/11/1097022611.db2.gz JVMRGNUXKRXPNN-QGZVFWFLSA-N 2 1 324.472 3.145 20 0 DGADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976022 1097023866 /nfs/dbraw/zinc/02/38/66/1097023866.db2.gz OONVLMWLJZCQQT-RCCFBDPRSA-N 2 1 316.489 3.179 20 0 DGADMP CC[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976953 1097024886 /nfs/dbraw/zinc/02/48/86/1097024886.db2.gz VZVAZLAEVDXQNI-ZWKOTPCHSA-N 2 1 304.478 3.444 20 0 DGADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977462 1097026153 /nfs/dbraw/zinc/02/61/53/1097026153.db2.gz BGJFVBYQZYEWOH-IPMKNSEASA-N 2 1 316.489 3.323 20 0 DGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976447 1097026652 /nfs/dbraw/zinc/02/66/52/1097026652.db2.gz LJAFVVUDQVZCNY-LJQANCHMSA-N 2 1 315.505 3.067 20 0 DGADMP C[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOC1 ZINC001171979605 1097027010 /nfs/dbraw/zinc/02/70/10/1097027010.db2.gz PGRKQYHUOCIHLI-AZUAARDMSA-N 2 1 316.489 3.446 20 0 DGADMP Cc1cnc(C[NH3+])n1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171981315 1097027373 /nfs/dbraw/zinc/02/73/73/1097027373.db2.gz CBOACJGPGMZDCU-KRWDZBQOSA-N 2 1 312.461 3.266 20 0 DGADMP CO[C@H](C)C1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987253 1097028581 /nfs/dbraw/zinc/02/85/81/1097028581.db2.gz SFKLGXYTTBMJOB-APWZRJJASA-N 2 1 316.489 3.396 20 0 DGADMP CC1(C)C[C@@H](N2CCn3cncc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988065 1097028648 /nfs/dbraw/zinc/02/86/48/1097028648.db2.gz OLOXCJZZCKDFBR-SFHVURJKSA-N 2 1 324.472 3.142 20 0 DGADMP Cc1cnc(C[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073177 1097037883 /nfs/dbraw/zinc/03/78/83/1097037883.db2.gz OVUJQDVQTROXTH-REPLKXPHSA-N 2 1 324.472 3.408 20 0 DGADMP [NH3+]CCc1cnn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172074485 1097038543 /nfs/dbraw/zinc/03/85/43/1097038543.db2.gz VWNQQXATKADRBZ-ACDBMABISA-N 2 1 324.472 3.143 20 0 DGADMP C[C@H](C[NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077484 1097038654 /nfs/dbraw/zinc/03/86/54/1097038654.db2.gz UJGHMOPXYJJKTI-LMCOJAPRSA-N 2 1 315.505 3.099 20 0 DGADMP Cc1cccc2c1[C@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172098827 1097040726 /nfs/dbraw/zinc/04/07/26/1097040726.db2.gz GPJZWZHOSNLBIV-YYIAUSFCSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3C)CCO2 ZINC001172098827 1097040732 /nfs/dbraw/zinc/04/07/32/1097040732.db2.gz GPJZWZHOSNLBIV-YYIAUSFCSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCO2 ZINC001172098827 1097040738 /nfs/dbraw/zinc/04/07/38/1097040738.db2.gz GPJZWZHOSNLBIV-YYIAUSFCSA-N 2 1 300.446 3.424 20 0 DGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172098827 1097040742 /nfs/dbraw/zinc/04/07/42/1097040742.db2.gz GPJZWZHOSNLBIV-YYIAUSFCSA-N 2 1 300.446 3.424 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCOc1ccc(F)cc1)C2 ZINC001172100168 1097041704 /nfs/dbraw/zinc/04/17/04/1097041704.db2.gz ACBJCYFACXPYJM-BJWYYQGGSA-N 2 1 306.425 3.200 20 0 DGADMP O[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064557 1097044167 /nfs/dbraw/zinc/04/41/67/1097044167.db2.gz HHFYLZPLWDVZAD-UHZRXMQZSA-N 2 1 314.473 3.075 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccncc3)CC1)C2 ZINC001172128359 1097047736 /nfs/dbraw/zinc/04/77/36/1097047736.db2.gz RHGDQXLLPYQORB-PMOLBWCYSA-N 2 1 313.489 3.351 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccncc3)CC1)C2 ZINC001172128359 1097047742 /nfs/dbraw/zinc/04/77/42/1097047742.db2.gz RHGDQXLLPYQORB-PMOLBWCYSA-N 2 1 313.489 3.351 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC3(C)C)CC1)C2 ZINC001172127083 1097048058 /nfs/dbraw/zinc/04/80/58/1097048058.db2.gz GVEVQGXDRCRJLH-BJWYYQGGSA-N 2 1 306.494 3.283 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC3(C)C)CC1)C2 ZINC001172127083 1097048065 /nfs/dbraw/zinc/04/80/65/1097048065.db2.gz GVEVQGXDRCRJLH-BJWYYQGGSA-N 2 1 306.494 3.283 20 0 DGADMP COc1cccc2c1CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172130002 1097048977 /nfs/dbraw/zinc/04/89/77/1097048977.db2.gz MXNVIWDIQPOMKK-BJWYYQGGSA-N 2 1 300.446 3.069 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172131629 1097050127 /nfs/dbraw/zinc/05/01/27/1097050127.db2.gz XTIWIIJHEVHEPH-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131629 1097050134 /nfs/dbraw/zinc/05/01/34/1097050134.db2.gz XTIWIIJHEVHEPH-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172131629 1097050139 /nfs/dbraw/zinc/05/01/39/1097050139.db2.gz XTIWIIJHEVHEPH-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172131629 1097050146 /nfs/dbraw/zinc/05/01/46/1097050146.db2.gz XTIWIIJHEVHEPH-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172131629 1097050152 /nfs/dbraw/zinc/05/01/52/1097050152.db2.gz XTIWIIJHEVHEPH-AKHDSKFASA-N 2 1 314.473 3.500 20 0 DGADMP COc1cc2c(cc1OC)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172132856 1097050291 /nfs/dbraw/zinc/05/02/91/1097050291.db2.gz PAYQEOFILWKSBC-FVQHAEBGSA-N 2 1 316.445 3.035 20 0 DGADMP COc1ccc(CCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102360 1097053623 /nfs/dbraw/zinc/05/36/23/1097053623.db2.gz MHPRBSIPOTXWAC-NNZMDNLPSA-N 2 1 302.462 3.233 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001172108706 1097054853 /nfs/dbraw/zinc/05/48/53/1097054853.db2.gz YKMOVCOHUCRPFG-SFUJAXRZSA-N 2 1 306.400 3.426 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001172108706 1097054860 /nfs/dbraw/zinc/05/48/60/1097054860.db2.gz YKMOVCOHUCRPFG-SFUJAXRZSA-N 2 1 306.400 3.426 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108917 1097055224 /nfs/dbraw/zinc/05/52/24/1097055224.db2.gz AGLVKBZKULKARP-MHORFTMASA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cncc(F)c1)C1CC1)C2 ZINC001172108917 1097055228 /nfs/dbraw/zinc/05/52/28/1097055228.db2.gz AGLVKBZKULKARP-MHORFTMASA-N 2 1 303.425 3.277 20 0 DGADMP Cc1ccccc1OC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107017 1097055351 /nfs/dbraw/zinc/05/53/51/1097055351.db2.gz SGZWTAAECJDIJT-FJIDUMEYSA-N 2 1 302.462 3.367 20 0 DGADMP Cc1ccccc1OC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107017 1097055358 /nfs/dbraw/zinc/05/53/58/1097055358.db2.gz SGZWTAAECJDIJT-FJIDUMEYSA-N 2 1 302.462 3.367 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105536 1097055411 /nfs/dbraw/zinc/05/54/11/1097055411.db2.gz IYBKMBQAALNHPK-BASYENTBSA-N 2 1 300.446 3.287 20 0 DGADMP COc1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105536 1097055416 /nfs/dbraw/zinc/05/54/16/1097055416.db2.gz IYBKMBQAALNHPK-BASYENTBSA-N 2 1 300.446 3.287 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(F)cn1)C1CC1)C2 ZINC001172109409 1097055874 /nfs/dbraw/zinc/05/58/74/1097055874.db2.gz CUIYVFTZSQBNOB-KYHPRHEASA-N 2 1 303.425 3.277 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001172109502 1097056336 /nfs/dbraw/zinc/05/63/36/1097056336.db2.gz HHHYEQNAZVSQGH-NNZMDNLPSA-N 2 1 311.429 3.447 20 0 DGADMP COc1cc2c(cc1C)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172111201 1097056563 /nfs/dbraw/zinc/05/65/63/1097056563.db2.gz QQGVQZHKTQQERH-CADBVGFASA-N 2 1 314.473 3.076 20 0 DGADMP COc1cc2c(cc1C)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172111201 1097056570 /nfs/dbraw/zinc/05/65/70/1097056570.db2.gz QQGVQZHKTQQERH-CADBVGFASA-N 2 1 314.473 3.076 20 0 DGADMP CCOc1ccccc1OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109783 1097057875 /nfs/dbraw/zinc/05/78/75/1097057875.db2.gz LFGSUDUSVAKYPB-OSYLJGHBSA-N 2 1 318.461 3.069 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1-c1cccc(C[NH3+])c1)C2 ZINC001172111997 1097058684 /nfs/dbraw/zinc/05/86/84/1097058684.db2.gz YSECSVTZPFTEPF-BCDXTJNWSA-N 2 1 310.445 3.197 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172113439 1097058885 /nfs/dbraw/zinc/05/88/85/1097058885.db2.gz CYUHGYMFNNAIQA-XDKFSHSGSA-N 2 1 316.445 3.139 20 0 DGADMP COC(=O)c1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172113439 1097058891 /nfs/dbraw/zinc/05/88/91/1097058891.db2.gz CYUHGYMFNNAIQA-XDKFSHSGSA-N 2 1 316.445 3.139 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1([C@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112880 1097059008 /nfs/dbraw/zinc/05/90/08/1097059008.db2.gz GMGGJONRODXFQV-LUKYLMHMSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1([C@H]3CCOC(C)(C)C3)CC1)C2 ZINC001172112880 1097059013 /nfs/dbraw/zinc/05/90/13/1097059013.db2.gz GMGGJONRODXFQV-LUKYLMHMSA-N 2 1 306.494 3.329 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112574 1097059617 /nfs/dbraw/zinc/05/96/17/1097059617.db2.gz XXJBGIFNUXPDBL-CADBVGFASA-N 2 1 302.437 3.288 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(F)cc3C1)C2 ZINC001172112574 1097059623 /nfs/dbraw/zinc/05/96/23/1097059623.db2.gz XXJBGIFNUXPDBL-CADBVGFASA-N 2 1 302.437 3.288 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172113284 1097059639 /nfs/dbraw/zinc/05/96/39/1097059639.db2.gz BTTTYKVDWURUPR-GGXPGOJBSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172113284 1097059644 /nfs/dbraw/zinc/05/96/44/1097059644.db2.gz BTTTYKVDWURUPR-GGXPGOJBSA-N 2 1 300.446 3.287 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114012 1097061307 /nfs/dbraw/zinc/06/13/07/1097061307.db2.gz NTXUMWYWFQGCSM-BDXSIMOUSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172114012 1097061312 /nfs/dbraw/zinc/06/13/12/1097061312.db2.gz NTXUMWYWFQGCSM-BDXSIMOUSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114012 1097061317 /nfs/dbraw/zinc/06/13/17/1097061317.db2.gz NTXUMWYWFQGCSM-BDXSIMOUSA-N 2 1 314.473 3.500 20 0 DGADMP COc1ccccc1[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114012 1097061324 /nfs/dbraw/zinc/06/13/24/1097061324.db2.gz NTXUMWYWFQGCSM-BDXSIMOUSA-N 2 1 314.473 3.500 20 0 DGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(OC3CCC3)ccn1)C2 ZINC001172114252 1097061887 /nfs/dbraw/zinc/06/18/87/1097061887.db2.gz MPPHYXJZAQURRS-XGBSXSJOSA-N 2 1 315.461 3.118 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(OC3CCC3)ccn1)C2 ZINC001172114252 1097061893 /nfs/dbraw/zinc/06/18/93/1097061893.db2.gz MPPHYXJZAQURRS-XGBSXSJOSA-N 2 1 315.461 3.118 20 0 DGADMP COc1ccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172116100 1097062297 /nfs/dbraw/zinc/06/22/97/1097062297.db2.gz XVZFXJKAHUWEPJ-BJWYYQGGSA-N 2 1 300.446 3.289 20 0 DGADMP COc1ccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172116100 1097062303 /nfs/dbraw/zinc/06/23/03/1097062303.db2.gz XVZFXJKAHUWEPJ-BJWYYQGGSA-N 2 1 300.446 3.289 20 0 DGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]1COCc1ccccc1)C2 ZINC001172120940 1097063697 /nfs/dbraw/zinc/06/36/97/1097063697.db2.gz AEPGTPACMDVVMS-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]1COCc1ccccc1)C2 ZINC001172120940 1097063706 /nfs/dbraw/zinc/06/37/06/1097063706.db2.gz AEPGTPACMDVVMS-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]1COCc1ccccc1)C2 ZINC001172120940 1097063710 /nfs/dbraw/zinc/06/37/10/1097063710.db2.gz AEPGTPACMDVVMS-ZGXWSNOMSA-N 2 1 314.473 3.293 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172118477 1097064151 /nfs/dbraw/zinc/06/41/51/1097064151.db2.gz OQZULTKNMTXADT-FQBWVUSXSA-N 2 1 306.494 3.140 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172118477 1097064156 /nfs/dbraw/zinc/06/41/56/1097064156.db2.gz OQZULTKNMTXADT-FQBWVUSXSA-N 2 1 306.494 3.140 20 0 DGADMP CCOC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172118477 1097064163 /nfs/dbraw/zinc/06/41/63/1097064163.db2.gz OQZULTKNMTXADT-FQBWVUSXSA-N 2 1 306.494 3.140 20 0 DGADMP CCCCCC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172120090 1097064264 /nfs/dbraw/zinc/06/42/64/1097064264.db2.gz CGFFHWZBQHDWEW-REPLKXPHSA-N 2 1 307.526 3.200 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2ccccc2C(F)F)CC1 ZINC001172243219 1097089161 /nfs/dbraw/zinc/08/91/61/1097089161.db2.gz FPKBHDDJIXXLMC-UHFFFAOYSA-N 2 1 312.404 3.215 20 0 DGADMP COCCC[NH+]1CCC([N@H+](Cc2ccccc2)C(C)C)CC1 ZINC001172249587 1097092299 /nfs/dbraw/zinc/09/22/99/1097092299.db2.gz KLFOKXJUMPGNGV-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP COCCC[NH+]1CCC([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC001172249587 1097092305 /nfs/dbraw/zinc/09/23/05/1097092305.db2.gz KLFOKXJUMPGNGV-UHFFFAOYSA-N 2 1 304.478 3.398 20 0 DGADMP COCCC[NH+]1CCC([N@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001172249635 1097093035 /nfs/dbraw/zinc/09/30/35/1097093035.db2.gz MFVLWMIBKCWMPZ-MRXNPFEDSA-N 2 1 302.462 3.107 20 0 DGADMP COCCC[NH+]1CCC([N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001172249635 1097093041 /nfs/dbraw/zinc/09/30/41/1097093041.db2.gz MFVLWMIBKCWMPZ-MRXNPFEDSA-N 2 1 302.462 3.107 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1COC(C)(C)C1 ZINC001172288152 1097105038 /nfs/dbraw/zinc/10/50/38/1097105038.db2.gz FJLXWDKJPXNKIN-IBGZPJMESA-N 2 1 316.489 3.398 20 0 DGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1COC(C)(C)C1 ZINC001172288153 1097105143 /nfs/dbraw/zinc/10/51/43/1097105143.db2.gz FJLXWDKJPXNKIN-LJQANCHMSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)[C@H](C)C2)nc(C)[nH+]1 ZINC001172381963 1097111611 /nfs/dbraw/zinc/11/16/11/1097111611.db2.gz IYFQSKOMQARNOA-HBUWYVDXSA-N 2 1 316.493 3.477 20 0 DGADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001172402942 1097129722 /nfs/dbraw/zinc/12/97/22/1097129722.db2.gz PYWLDHJRVCNUSB-VAMGGRTRSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001172402942 1097129723 /nfs/dbraw/zinc/12/97/23/1097129723.db2.gz PYWLDHJRVCNUSB-VAMGGRTRSA-N 2 1 322.537 3.491 20 0 DGADMP CC[C@H](CC(C)C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001172402942 1097129725 /nfs/dbraw/zinc/12/97/25/1097129725.db2.gz PYWLDHJRVCNUSB-VAMGGRTRSA-N 2 1 322.537 3.491 20 0 DGADMP CCOCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172433493 1097140290 /nfs/dbraw/zinc/14/02/90/1097140290.db2.gz QKEXBQMFXRULNE-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172433493 1097140294 /nfs/dbraw/zinc/14/02/94/1097140294.db2.gz QKEXBQMFXRULNE-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP CCOCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172433493 1097140299 /nfs/dbraw/zinc/14/02/99/1097140299.db2.gz QKEXBQMFXRULNE-ICSRJNTNSA-N 2 1 316.489 3.400 20 0 DGADMP CC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172383624 1097140945 /nfs/dbraw/zinc/14/09/45/1097140945.db2.gz BEFKADWMHWEUSP-LJQANCHMSA-N 2 1 304.478 3.433 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324751 1097178295 /nfs/dbraw/zinc/17/82/95/1097178295.db2.gz SQKZKBZVRQIWTI-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324751 1097178298 /nfs/dbraw/zinc/17/82/98/1097178298.db2.gz SQKZKBZVRQIWTI-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324751 1097178302 /nfs/dbraw/zinc/17/83/02/1097178302.db2.gz SQKZKBZVRQIWTI-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c3cc[nH]c31)C2 ZINC001277324751 1097178304 /nfs/dbraw/zinc/17/83/04/1097178304.db2.gz SQKZKBZVRQIWTI-GOSISDBHSA-N 2 1 301.409 3.225 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCC(=O)OC(C)C)CC1 ZINC001172771062 1097236993 /nfs/dbraw/zinc/23/69/93/1097236993.db2.gz RCVXMWINMNBYTF-INIZCTEOSA-N 2 1 312.498 3.303 20 0 DGADMP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206175711 1097237012 /nfs/dbraw/zinc/23/70/12/1097237012.db2.gz XHBJBZOVKPUTGD-CABCVRRESA-N 2 1 319.449 3.380 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172773330 1097237897 /nfs/dbraw/zinc/23/78/97/1097237897.db2.gz NDKPKPQWKBIAKZ-OKZBNKHCSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172773330 1097237901 /nfs/dbraw/zinc/23/79/01/1097237901.db2.gz NDKPKPQWKBIAKZ-OKZBNKHCSA-N 2 1 324.509 3.446 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172773330 1097237904 /nfs/dbraw/zinc/23/79/04/1097237904.db2.gz NDKPKPQWKBIAKZ-OKZBNKHCSA-N 2 1 324.509 3.446 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172882125 1097275712 /nfs/dbraw/zinc/27/57/12/1097275712.db2.gz MXVWLAIJIVPJGK-MCIONIFRSA-N 2 1 310.894 3.314 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172882125 1097275716 /nfs/dbraw/zinc/27/57/16/1097275716.db2.gz MXVWLAIJIVPJGK-MCIONIFRSA-N 2 1 310.894 3.314 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172882125 1097275720 /nfs/dbraw/zinc/27/57/20/1097275720.db2.gz MXVWLAIJIVPJGK-MCIONIFRSA-N 2 1 310.894 3.314 20 0 DGADMP NC[C@@H]1Cc2ccccc2C[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046668 1097311034 /nfs/dbraw/zinc/31/10/34/1097311034.db2.gz UHIXIUKQMCCOPI-IBGZPJMESA-N 2 1 314.473 3.111 20 0 DGADMP NC[C@@H]1Cc2ccccc2C[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046668 1097311041 /nfs/dbraw/zinc/31/10/41/1097311041.db2.gz UHIXIUKQMCCOPI-IBGZPJMESA-N 2 1 314.473 3.111 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](c3noc(C)n3)C2)CC1 ZINC001173110448 1097332140 /nfs/dbraw/zinc/33/21/40/1097332140.db2.gz SHKPZSSSRCCTIP-KLAILNCOSA-N 2 1 320.481 3.210 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC001173111629 1097332532 /nfs/dbraw/zinc/33/25/32/1097332532.db2.gz IUJLRTLKDKTASB-ACBHZAAOSA-N 2 1 307.526 3.200 20 0 DGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3nc(Cl)ncc3C2)CC1 ZINC001173114504 1097332977 /nfs/dbraw/zinc/33/29/77/1097332977.db2.gz MVMWTWQAUTYBPJ-UHFFFAOYSA-N 2 1 322.884 3.141 20 0 DGADMP CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173115140 1097334081 /nfs/dbraw/zinc/33/40/81/1097334081.db2.gz WZWJLPOVKWKJLJ-JCYILVPMSA-N 2 1 310.482 3.057 20 0 DGADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173114851 1097334293 /nfs/dbraw/zinc/33/42/93/1097334293.db2.gz JVWITPSFMHHURS-INIZCTEOSA-N 2 1 310.482 3.140 20 0 DGADMP c1nc2c(s1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCCC3)C1)CC2 ZINC001173127738 1097337469 /nfs/dbraw/zinc/33/74/69/1097337469.db2.gz CKDOTNXHDKWCCQ-CVEARBPZSA-N 2 1 319.518 3.245 20 0 DGADMP c1nc2c(s1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCCC3)C1)CC2 ZINC001173127738 1097337476 /nfs/dbraw/zinc/33/74/76/1097337476.db2.gz CKDOTNXHDKWCCQ-CVEARBPZSA-N 2 1 319.518 3.245 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(Cl)nc1C ZINC001277415118 1097373486 /nfs/dbraw/zinc/37/34/86/1097373486.db2.gz DZHCQQXBWSKLNB-UHFFFAOYSA-N 2 1 307.869 3.270 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001173265215 1097388780 /nfs/dbraw/zinc/38/87/80/1097388780.db2.gz QWYPLJNDOYFLPM-LPHOPBHVSA-N 2 1 302.462 3.187 20 0 DGADMP CC[C@H]1CC[C@H]([NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)C1 ZINC001173265234 1097388854 /nfs/dbraw/zinc/38/88/54/1097388854.db2.gz HSBLQZNTTPYIGH-CQDIZWNASA-N 2 1 310.482 3.137 20 0 DGADMP CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C1 ZINC001173267245 1097389963 /nfs/dbraw/zinc/38/99/63/1097389963.db2.gz QRVHZVWDDVKUFS-XLIONFOSSA-N 2 1 315.505 3.102 20 0 DGADMP CCc1ccc(C[C@@H](C)[N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173237883 1097393248 /nfs/dbraw/zinc/39/32/48/1097393248.db2.gz GETJWINJAMERRJ-ATZDWAIDSA-N 2 1 316.489 3.151 20 0 DGADMP CCSC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173303428 1097404774 /nfs/dbraw/zinc/40/47/74/1097404774.db2.gz HXYBMURGDKULIT-GJZGRUSLSA-N 2 1 314.539 3.140 20 0 DGADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)C1 ZINC001173276618 1097409512 /nfs/dbraw/zinc/40/95/12/1097409512.db2.gz JEDZEPFDBLFYHB-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276618 1097409515 /nfs/dbraw/zinc/40/95/15/1097409515.db2.gz JEDZEPFDBLFYHB-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)C1 ZINC001173276618 1097409518 /nfs/dbraw/zinc/40/95/18/1097409518.db2.gz JEDZEPFDBLFYHB-RSPOEFSDSA-N 2 1 320.521 3.245 20 0 DGADMP CC[C@H]1CC[C@@H](n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)C1 ZINC001173279758 1097410968 /nfs/dbraw/zinc/41/09/68/1097410968.db2.gz JGXIEGJUPLVWDT-LSDHHAIUSA-N 2 1 304.482 3.120 20 0 DGADMP COC(=O)CCCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442833 1097440099 /nfs/dbraw/zinc/44/00/99/1097440099.db2.gz KBFCMHSEBYYOFG-ULQDDVLXSA-N 2 1 312.498 3.336 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442832 1097440418 /nfs/dbraw/zinc/44/04/18/1097440418.db2.gz KBFCMHSEBYYOFG-BRWVUGGUSA-N 2 1 312.498 3.336 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)[C@H](C)C1 ZINC001173479662 1097446444 /nfs/dbraw/zinc/44/64/44/1097446444.db2.gz KPWSBUQEIOSUPK-KZULUSFZSA-N 2 1 308.416 3.140 20 0 DGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)[C@@H](C)C1 ZINC001173479661 1097447024 /nfs/dbraw/zinc/44/70/24/1097447024.db2.gz KPWSBUQEIOSUPK-KPZWWZAWSA-N 2 1 308.416 3.140 20 0 DGADMP COC(=O)CCCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445572 1097448805 /nfs/dbraw/zinc/44/88/05/1097448805.db2.gz MGBNLYBYRHHDLA-BFYDXBDKSA-N 2 1 310.482 3.233 20 0 DGADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173629802 1097476696 /nfs/dbraw/zinc/47/66/96/1097476696.db2.gz BWCSJMBHOAWTIL-QAETUUGQSA-N 2 1 310.482 3.089 20 0 DGADMP C[NH+](C)CC[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1cccs1 ZINC001230508450 1097500296 /nfs/dbraw/zinc/50/02/96/1097500296.db2.gz VNLUFRNSZVCRKW-AWEZNQCLSA-N 2 1 316.430 3.278 20 0 DGADMP C[NH+]1C(C)(C)CC(Oc2ccc3[nH+]c(N)[nH]c3c2)CC1(C)C ZINC001230516393 1097501076 /nfs/dbraw/zinc/50/10/76/1097501076.db2.gz QIYXGNMHYZXAQR-UHFFFAOYSA-N 2 1 302.422 3.175 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](CCCOc3ccccc3F)CC2)C1 ZINC001277499170 1097699994 /nfs/dbraw/zinc/69/99/94/1097699994.db2.gz LTIJKIWSGMROJG-UHFFFAOYSA-N 2 1 320.452 3.402 20 0 DGADMP CC[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)C1CCN(C)CC1 ZINC001231524605 1097772234 /nfs/dbraw/zinc/77/22/34/1097772234.db2.gz NQCRAPBQTWQCGU-UHFFFAOYSA-N 2 1 316.367 3.327 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c[nH]nc21 ZINC001231973957 1097905192 /nfs/dbraw/zinc/90/51/92/1097905192.db2.gz OQJBBBFWXKKZKC-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2c[nH]nc21 ZINC001231973957 1097905199 /nfs/dbraw/zinc/90/51/99/1097905199.db2.gz OQJBBBFWXKKZKC-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2c[nH]nc21 ZINC001231973957 1097905207 /nfs/dbraw/zinc/90/52/07/1097905207.db2.gz OQJBBBFWXKKZKC-ROUUACIJSA-N 2 1 312.461 3.402 20 0 DGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3C)C[C@H]2C1 ZINC001232005544 1097914161 /nfs/dbraw/zinc/91/41/61/1097914161.db2.gz NVKKQHZACONXOT-HUUCEWRRSA-N 2 1 312.379 3.397 20 0 DGADMP Cc1ccccc1N1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012343 1097916284 /nfs/dbraw/zinc/91/62/84/1097916284.db2.gz ZFZJEOAMKUROIX-UHFFFAOYSA-N 2 1 306.413 3.194 20 0 DGADMP c1c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232014939 1097917773 /nfs/dbraw/zinc/91/77/73/1097917773.db2.gz ZCPCAURWQDGDOB-GOSISDBHSA-N 2 1 307.397 3.354 20 0 DGADMP COc1ccnc(Cl)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001232159310 1097952422 /nfs/dbraw/zinc/95/24/22/1097952422.db2.gz IRCWMVYITGYAQW-UHFFFAOYSA-N 2 1 323.868 3.051 20 0 DGADMP C[N@H+](Cc1ccnc2c(F)cccc12)CC1CC[NH+](C)CC1 ZINC001232208064 1097966220 /nfs/dbraw/zinc/96/62/20/1097966220.db2.gz BSUCWORTFISGAB-UHFFFAOYSA-N 2 1 301.409 3.148 20 0 DGADMP Cc1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001232468911 1098047340 /nfs/dbraw/zinc/04/73/40/1098047340.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001232468911 1098047344 /nfs/dbraw/zinc/04/73/44/1098047344.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001232468911 1098047347 /nfs/dbraw/zinc/04/73/47/1098047347.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468911 1098047350 /nfs/dbraw/zinc/04/73/50/1098047350.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468911 1098047354 /nfs/dbraw/zinc/04/73/54/1098047354.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468911 1098047355 /nfs/dbraw/zinc/04/73/55/1098047355.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001232468911 1098047359 /nfs/dbraw/zinc/04/73/59/1098047359.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 2 1 324.472 3.062 20 0 DGADMP Nc1[nH+]c2ccccc2n1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505177 1098075738 /nfs/dbraw/zinc/07/57/38/1098075738.db2.gz NDHZJPFLVAYROG-UHFFFAOYSA-N 2 1 304.397 3.365 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001232624642 1098099270 /nfs/dbraw/zinc/09/92/70/1098099270.db2.gz QUAJOARDXJAXIA-MRXNPFEDSA-N 2 1 312.413 3.360 20 0 DGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564812 1098099730 /nfs/dbraw/zinc/09/97/30/1098099730.db2.gz FNHWFPKWSXVAER-INIZCTEOSA-N 2 1 322.497 3.070 20 0 DGADMP CCCC[C@H](CC)C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@H]21 ZINC001277695460 1098107164 /nfs/dbraw/zinc/10/71/64/1098107164.db2.gz ZBKKBFPOLXBOCF-UHOSZYNNSA-N 2 1 317.477 3.187 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@H]2CN(c3cc[nH+]cc3)C[C@H]21 ZINC001277695460 1098107166 /nfs/dbraw/zinc/10/71/66/1098107166.db2.gz ZBKKBFPOLXBOCF-UHOSZYNNSA-N 2 1 317.477 3.187 20 0 DGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2COC[C@H](C1)N2c1cc[nH+]cc1 ZINC001277695282 1098107614 /nfs/dbraw/zinc/10/76/14/1098107614.db2.gz XUIWLDHBEJZQHG-YTQUADARSA-N 2 1 317.477 3.187 20 0 DGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232821528 1098144345 /nfs/dbraw/zinc/14/43/45/1098144345.db2.gz RLZPLYOVKIFUIC-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232821528 1098144350 /nfs/dbraw/zinc/14/43/50/1098144350.db2.gz RLZPLYOVKIFUIC-UHFFFAOYSA-N 2 1 306.841 3.134 20 0 DGADMP Cc1cc(O)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232884457 1098163353 /nfs/dbraw/zinc/16/33/53/1098163353.db2.gz NZZSMCGAWAAUCX-WOJBJXKFSA-N 2 1 322.452 3.264 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cncc(-c4ccccc4)c3)C[C@@H]2C1 ZINC001232900819 1098167949 /nfs/dbraw/zinc/16/79/49/1098167949.db2.gz QQPZPMMRBBFQKX-QUCCMNQESA-N 2 1 307.441 3.132 20 0 DGADMP C[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832357 1098176658 /nfs/dbraw/zinc/17/66/58/1098176658.db2.gz YNWKKEROKJLJIN-QFBILLFUSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC001175832357 1098176662 /nfs/dbraw/zinc/17/66/62/1098176662.db2.gz YNWKKEROKJLJIN-QFBILLFUSA-N 2 1 308.510 3.436 20 0 DGADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(C[NH3+])cc3)c2C1 ZINC001175967638 1098214539 /nfs/dbraw/zinc/21/45/39/1098214539.db2.gz SAIHDYDYUQJHTQ-UHFFFAOYSA-N 2 1 316.474 3.301 20 0 DGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165486 1098224360 /nfs/dbraw/zinc/22/43/60/1098224360.db2.gz CCSGPRRUEHDZNW-GJZGRUSLSA-N 2 1 312.379 3.479 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4cccnc4s3)C2)CC1 ZINC001233348498 1098296961 /nfs/dbraw/zinc/29/69/61/1098296961.db2.gz DUFQXTZAHWQGKQ-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc4cccnc4s3)C[C@H]2C1 ZINC001233349882 1098299246 /nfs/dbraw/zinc/29/92/46/1098299246.db2.gz MGVWDTGZGGUVJT-HUUCEWRRSA-N 2 1 301.459 3.070 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)c(F)cc2N)CC1 ZINC001233380979 1098308354 /nfs/dbraw/zinc/30/83/54/1098308354.db2.gz LAHPXQWJZVWKPX-UHFFFAOYSA-N 2 1 311.420 3.099 20 0 DGADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263203 1098309363 /nfs/dbraw/zinc/30/93/63/1098309363.db2.gz RAJRAVHLFLFYRL-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263203 1098309369 /nfs/dbraw/zinc/30/93/69/1098309369.db2.gz RAJRAVHLFLFYRL-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001176263203 1098309374 /nfs/dbraw/zinc/30/93/74/1098309374.db2.gz RAJRAVHLFLFYRL-WCIQWLHISA-N 2 1 314.473 3.008 20 0 DGADMP Cc1ccc(C)c(Nc2ccc(OCCC[NH+](C)C)nc2)[nH+]1 ZINC001176355524 1098330302 /nfs/dbraw/zinc/33/03/02/1098330302.db2.gz YAHJPJQDBGAFSV-UHFFFAOYSA-N 2 1 300.406 3.168 20 0 DGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591900 1098383066 /nfs/dbraw/zinc/38/30/66/1098383066.db2.gz RUWMMDXECWDONM-INIZCTEOSA-N 2 1 322.497 3.036 20 0 DGADMP CC[C@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001277808516 1098433241 /nfs/dbraw/zinc/43/32/41/1098433241.db2.gz YGJRUNIVOVSWSI-KRWDZBQOSA-N 2 1 318.509 3.205 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2scnc2c1 ZINC001177231450 1098498812 /nfs/dbraw/zinc/49/88/12/1098498812.db2.gz QVNLIJRXCSWTDD-LBPRGKRZSA-N 2 1 300.431 3.227 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC001177294974 1098505128 /nfs/dbraw/zinc/50/51/28/1098505128.db2.gz UYNKGHOJVZIJDM-OKILXGFUSA-N 2 1 309.885 3.380 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC001177294974 1098505130 /nfs/dbraw/zinc/50/51/30/1098505130.db2.gz UYNKGHOJVZIJDM-OKILXGFUSA-N 2 1 309.885 3.380 20 0 DGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001177318803 1098515949 /nfs/dbraw/zinc/51/59/49/1098515949.db2.gz CJJYWEWLQNGIQB-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC001177318803 1098515954 /nfs/dbraw/zinc/51/59/54/1098515954.db2.gz CJJYWEWLQNGIQB-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP CC(C)(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277848231 1098539696 /nfs/dbraw/zinc/53/96/96/1098539696.db2.gz WWJJCHBWRHJOCY-IYBDPMFKSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)(C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277848231 1098539704 /nfs/dbraw/zinc/53/97/04/1098539704.db2.gz WWJJCHBWRHJOCY-IYBDPMFKSA-N 2 1 306.494 3.188 20 0 DGADMP CC(C)(C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277848231 1098539710 /nfs/dbraw/zinc/53/97/10/1098539710.db2.gz WWJJCHBWRHJOCY-IYBDPMFKSA-N 2 1 306.494 3.188 20 0 DGADMP CCOc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277856244 1098553870 /nfs/dbraw/zinc/55/38/70/1098553870.db2.gz JTFAGRNDUZOFEM-OKILXGFUSA-N 2 1 324.415 3.137 20 0 DGADMP CCOCC[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277856956 1098554767 /nfs/dbraw/zinc/55/47/67/1098554767.db2.gz ZVGGQNHNHJUVNV-GASCZTMLSA-N 2 1 322.415 3.009 20 0 DGADMP CCOCC[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277856956 1098554769 /nfs/dbraw/zinc/55/47/69/1098554769.db2.gz ZVGGQNHNHJUVNV-GASCZTMLSA-N 2 1 322.415 3.009 20 0 DGADMP CCOCC[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277856956 1098554772 /nfs/dbraw/zinc/55/47/72/1098554772.db2.gz ZVGGQNHNHJUVNV-GASCZTMLSA-N 2 1 322.415 3.009 20 0 DGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC001177742527 1098597949 /nfs/dbraw/zinc/59/79/49/1098597949.db2.gz JDRMNHCXARBQTF-GOEBONIOSA-N 2 1 323.506 3.205 20 0 DGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC001177742527 1098597957 /nfs/dbraw/zinc/59/79/57/1098597957.db2.gz JDRMNHCXARBQTF-GOEBONIOSA-N 2 1 323.506 3.205 20 0 DGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCOc3ccccc3)C2)C1 ZINC001277870651 1098622470 /nfs/dbraw/zinc/62/24/70/1098622470.db2.gz WQJBOLQCJPXRCZ-LJQANCHMSA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCCOc3ccccc3)C2)C1 ZINC001277870651 1098622475 /nfs/dbraw/zinc/62/24/75/1098622475.db2.gz WQJBOLQCJPXRCZ-LJQANCHMSA-N 2 1 302.462 3.263 20 0 DGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC001277870651 1098622478 /nfs/dbraw/zinc/62/24/78/1098622478.db2.gz WQJBOLQCJPXRCZ-LJQANCHMSA-N 2 1 302.462 3.263 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001206311147 1098668913 /nfs/dbraw/zinc/66/89/13/1098668913.db2.gz JZOKWJWVLUTQED-LBPRGKRZSA-N 2 1 308.278 3.401 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001206311147 1098668906 /nfs/dbraw/zinc/66/89/06/1098668906.db2.gz JZOKWJWVLUTQED-LBPRGKRZSA-N 2 1 308.278 3.401 20 0 DGADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977910 1098732824 /nfs/dbraw/zinc/73/28/24/1098732824.db2.gz DALXEDNQDADALA-BGYRXZFFSA-N 2 1 322.452 3.225 20 0 DGADMP Fc1ccc(Oc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234980292 1098733700 /nfs/dbraw/zinc/73/37/00/1098733700.db2.gz WEPBDRLKQYEDCK-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP Fc1ccc(Oc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234980292 1098733712 /nfs/dbraw/zinc/73/37/12/1098733712.db2.gz WEPBDRLKQYEDCK-IYBDPMFKSA-N 2 1 312.388 3.269 20 0 DGADMP CCCCCCOc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980257 1098734768 /nfs/dbraw/zinc/73/47/68/1098734768.db2.gz VSRCFHDKPJRUNN-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP CCCCCCOc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980257 1098734773 /nfs/dbraw/zinc/73/47/73/1098734773.db2.gz VSRCFHDKPJRUNN-HDICACEKSA-N 2 1 302.462 3.297 20 0 DGADMP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234990571 1098735320 /nfs/dbraw/zinc/73/53/20/1098735320.db2.gz BCSVIHDEVBJICP-INIZCTEOSA-N 2 1 312.379 3.323 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995348 1098738986 /nfs/dbraw/zinc/73/89/86/1098738986.db2.gz ZYWWUJBVQQYEEV-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP Clc1[nH]c2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995348 1098738996 /nfs/dbraw/zinc/73/89/96/1098738996.db2.gz ZYWWUJBVQQYEEV-QGZVFWFLSA-N 2 1 303.837 3.397 20 0 DGADMP CC(C)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235004773 1098747194 /nfs/dbraw/zinc/74/71/94/1098747194.db2.gz CCBWABSHCCPNOR-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP CC(C)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235004773 1098747205 /nfs/dbraw/zinc/74/72/05/1098747205.db2.gz CCBWABSHCCPNOR-LJQANCHMSA-N 2 1 302.462 3.012 20 0 DGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235031725 1098760376 /nfs/dbraw/zinc/76/03/76/1098760376.db2.gz GGOHNZQYGNKOLQ-NRFANRHFSA-N 2 1 306.453 3.463 20 0 DGADMP CN(C)c1ccc2cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001235033530 1098761447 /nfs/dbraw/zinc/76/14/47/1098761447.db2.gz PVEOZWYBRNAIOD-FQEVSTJZSA-N 2 1 309.457 3.091 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235039354 1098766991 /nfs/dbraw/zinc/76/69/91/1098766991.db2.gz YGKLMCCJDUHONI-IBGZPJMESA-N 2 1 302.462 3.276 20 0 DGADMP Fc1ccccc1-c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c[nH]1 ZINC001235093133 1098795073 /nfs/dbraw/zinc/79/50/73/1098795073.db2.gz PJJBIXRWSIDZDU-UHFFFAOYSA-N 2 1 313.420 3.396 20 0 DGADMP Fc1cc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC001235094007 1098795769 /nfs/dbraw/zinc/79/57/69/1098795769.db2.gz WNQSAYVTHMZAOP-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(F)cc1Cl ZINC001235092995 1098795888 /nfs/dbraw/zinc/79/58/88/1098795888.db2.gz NKYOPWAUJLXQJG-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)cc1Cl ZINC001235092995 1098795896 /nfs/dbraw/zinc/79/58/96/1098795896.db2.gz NKYOPWAUJLXQJG-UHFFFAOYSA-N 2 1 300.780 3.194 20 0 DGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235094826 1098798861 /nfs/dbraw/zinc/79/88/61/1098798861.db2.gz REJIWMHELHVIKH-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235094826 1098798870 /nfs/dbraw/zinc/79/88/70/1098798870.db2.gz REJIWMHELHVIKH-HNNXBMFYSA-N 2 1 314.807 3.469 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235139833 1098834009 /nfs/dbraw/zinc/83/40/09/1098834009.db2.gz DNSFEGRLTOOXSA-UHFFFAOYSA-N 2 1 312.379 3.466 20 0 DGADMP FC(F)(F)c1ccccc1CC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235139833 1098834018 /nfs/dbraw/zinc/83/40/18/1098834018.db2.gz DNSFEGRLTOOXSA-UHFFFAOYSA-N 2 1 312.379 3.466 20 0 DGADMP CCOC(=O)CCCCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152374 1098837128 /nfs/dbraw/zinc/83/71/28/1098837128.db2.gz MKEUHVACOSCECT-GOSISDBHSA-N 2 1 324.509 3.354 20 0 DGADMP COc1ccccc1CCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152315 1098837152 /nfs/dbraw/zinc/83/71/52/1098837152.db2.gz LZPNEQYTSGMSBM-LJQANCHMSA-N 2 1 316.489 3.482 20 0 DGADMP Oc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235153373 1098838819 /nfs/dbraw/zinc/83/88/19/1098838819.db2.gz JVGWXPRQZWBQIZ-QGZVFWFLSA-N 2 1 308.853 3.400 20 0 DGADMP COc1nc(Cl)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153100 1098839914 /nfs/dbraw/zinc/83/99/14/1098839914.db2.gz DPMDTFXMYBIUMQ-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cn1 ZINC001235154769 1098842829 /nfs/dbraw/zinc/84/28/29/1098842829.db2.gz AZAWAJZPWNXEJF-SFHVURJKSA-N 2 1 317.477 3.223 20 0 DGADMP CN(C)c1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235158744 1098844087 /nfs/dbraw/zinc/84/40/87/1098844087.db2.gz NFBLQXGZMBJLLS-LJQANCHMSA-N 2 1 301.478 3.107 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(CN2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235167521 1098849296 /nfs/dbraw/zinc/84/92/96/1098849296.db2.gz KLRVBVMLQPXMPA-FQEVSTJZSA-N 2 1 324.472 3.289 20 0 DGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235191056 1098867894 /nfs/dbraw/zinc/86/78/94/1098867894.db2.gz ORCRQOBXHBSVPL-SJORKVTESA-N 2 1 302.462 3.132 20 0 DGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235194634 1098869868 /nfs/dbraw/zinc/86/98/68/1098869868.db2.gz ZQVNUQBJRGGYHC-HUUCEWRRSA-N 2 1 312.379 3.179 20 0 DGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001178561995 1098872364 /nfs/dbraw/zinc/87/23/64/1098872364.db2.gz YTLHGXWNACXKQX-ROUUACIJSA-N 2 1 309.542 3.207 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235197228 1098872629 /nfs/dbraw/zinc/87/26/29/1098872629.db2.gz FJBKTZKPCNPKQL-IAGOWNOFSA-N 2 1 324.424 3.226 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235197228 1098872637 /nfs/dbraw/zinc/87/26/37/1098872637.db2.gz FJBKTZKPCNPKQL-IAGOWNOFSA-N 2 1 324.424 3.226 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235231489 1098905670 /nfs/dbraw/zinc/90/56/70/1098905670.db2.gz RTGYIQITTFRWNG-KRWDZBQOSA-N 2 1 312.379 3.458 20 0 DGADMP COc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cnc1Cl ZINC001235239938 1098913421 /nfs/dbraw/zinc/91/34/21/1098913421.db2.gz LQOLWDFNLYJVMU-OAHLLOKOSA-N 2 1 323.868 3.098 20 0 DGADMP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235254314 1098925357 /nfs/dbraw/zinc/92/53/57/1098925357.db2.gz HYWAZCDTERXRCM-ZBFHGGJFSA-N 2 1 312.379 3.322 20 0 DGADMP COc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])c2)cc1 ZINC001235256233 1098928141 /nfs/dbraw/zinc/92/81/41/1098928141.db2.gz QXTTZRJHKAZWRA-FTRWYGJKSA-N 2 1 324.424 3.409 20 0 DGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262436 1098933813 /nfs/dbraw/zinc/93/38/13/1098933813.db2.gz RDNAUKVXTVEUKJ-AYBZRNKSSA-N 2 1 300.490 3.456 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235263626 1098935675 /nfs/dbraw/zinc/93/56/75/1098935675.db2.gz NJLXDLXFEYYYJG-UZLBHIALSA-N 2 1 324.424 3.368 20 0 DGADMP Oc1ccc(Oc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235263626 1098935682 /nfs/dbraw/zinc/93/56/82/1098935682.db2.gz NJLXDLXFEYYYJG-UZLBHIALSA-N 2 1 324.424 3.368 20 0 DGADMP CCOc1ccc(C)c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001277935121 1098943004 /nfs/dbraw/zinc/94/30/04/1098943004.db2.gz VBRXOLNOPRPYBC-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001277935121 1098943023 /nfs/dbraw/zinc/94/30/23/1098943023.db2.gz VBRXOLNOPRPYBC-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP CCOc1ccc(C)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001277935121 1098943029 /nfs/dbraw/zinc/94/30/29/1098943029.db2.gz VBRXOLNOPRPYBC-IBGZPJMESA-N 2 1 302.462 3.311 20 0 DGADMP Fc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(F)cc1Cl ZINC001235334358 1098960026 /nfs/dbraw/zinc/96/00/26/1098960026.db2.gz CXCUGHRVTJBPQG-UHFFFAOYSA-N 2 1 300.780 3.050 20 0 DGADMP Cc1c(Br)ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1C ZINC001235342947 1098967164 /nfs/dbraw/zinc/96/71/64/1098967164.db2.gz YFFGOYNYEQLXIN-CQSZACIVSA-N 2 1 323.278 3.107 20 0 DGADMP Fc1cccc(CC[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235348575 1098971086 /nfs/dbraw/zinc/97/10/86/1098971086.db2.gz HEWWOBLEBWQMBA-NHCUHLMSSA-N 2 1 324.443 3.447 20 0 DGADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349080 1098972547 /nfs/dbraw/zinc/97/25/47/1098972547.db2.gz LGFMRVDWIIKQFC-YLJYHZDGSA-N 2 1 314.473 3.071 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235368339 1098983761 /nfs/dbraw/zinc/98/37/61/1098983761.db2.gz VQWJKAJZFWSHLL-NHCUHLMSSA-N 2 1 306.453 3.440 20 0 DGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235369168 1098983827 /nfs/dbraw/zinc/98/38/27/1098983827.db2.gz RCSMMNHUINZREW-DBXWQHBBSA-N 2 1 322.452 3.101 20 0 DGADMP COc1ccccc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378760 1098987843 /nfs/dbraw/zinc/98/78/43/1098987843.db2.gz JMXOEICKGQWAFR-CTNGQTDRSA-N 2 1 322.452 3.274 20 0 DGADMP COc1ccccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378760 1098987850 /nfs/dbraw/zinc/98/78/50/1098987850.db2.gz JMXOEICKGQWAFR-CTNGQTDRSA-N 2 1 322.452 3.274 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235393544 1098993832 /nfs/dbraw/zinc/99/38/32/1098993832.db2.gz BFZGPRQAAHSSJM-DOTOQJQBSA-N 2 1 304.453 3.493 20 0 DGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401873 1098997325 /nfs/dbraw/zinc/99/73/25/1098997325.db2.gz IDDRTPVWVFZREF-OALUTQOASA-N 2 1 320.452 3.389 20 0 DGADMP CCCCOc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235401873 1098997337 /nfs/dbraw/zinc/99/73/37/1098997337.db2.gz IDDRTPVWVFZREF-OALUTQOASA-N 2 1 320.452 3.389 20 0 DGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCCCc1ccccc1)C2 ZINC001235403605 1098999803 /nfs/dbraw/zinc/99/98/03/1098999803.db2.gz LJFMTUANQMKCNK-RBUKOAKNSA-N 2 1 304.453 3.423 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403743 1099001172 /nfs/dbraw/zinc/00/11/72/1099001172.db2.gz LJBJZOMVTGSRJL-MOPGFXCFSA-N 2 1 314.404 3.470 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235403743 1099001184 /nfs/dbraw/zinc/00/11/84/1099001184.db2.gz LJBJZOMVTGSRJL-MOPGFXCFSA-N 2 1 314.404 3.470 20 0 DGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1OC(C)C ZINC001235403754 1099002735 /nfs/dbraw/zinc/00/27/35/1099002735.db2.gz LJRIDHYUSIQGTQ-HKUYNNGSSA-N 2 1 320.452 3.306 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1OC(C)C ZINC001235403754 1099002747 /nfs/dbraw/zinc/00/27/47/1099002747.db2.gz LJRIDHYUSIQGTQ-HKUYNNGSSA-N 2 1 320.452 3.306 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235407460 1099003791 /nfs/dbraw/zinc/00/37/91/1099003791.db2.gz RURXAZTUNDVBAW-PKOBYXMFSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235407460 1099003805 /nfs/dbraw/zinc/00/38/05/1099003805.db2.gz RURXAZTUNDVBAW-PKOBYXMFSA-N 2 1 320.452 3.387 20 0 DGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235411071 1099007068 /nfs/dbraw/zinc/00/70/68/1099007068.db2.gz ZYEAAQWKQSNJOH-OALUTQOASA-N 2 1 320.452 3.245 20 0 DGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235411071 1099007080 /nfs/dbraw/zinc/00/70/80/1099007080.db2.gz ZYEAAQWKQSNJOH-OALUTQOASA-N 2 1 320.452 3.245 20 0 DGADMP Fc1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235422228 1099013645 /nfs/dbraw/zinc/01/36/45/1099013645.db2.gz AGLKTIJNPNCWGT-ZWKOTPCHSA-N 2 1 304.453 3.470 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F ZINC001235424028 1099015118 /nfs/dbraw/zinc/01/51/18/1099015118.db2.gz IWGVJMQOTWRQAI-HZPDHXFCSA-N 2 1 306.425 3.046 20 0 DGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC001235425258 1099016040 /nfs/dbraw/zinc/01/60/40/1099016040.db2.gz IYIOZCKVWIVFAS-CABCVRRESA-N 2 1 307.869 3.255 20 0 DGADMP Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235424367 1099017632 /nfs/dbraw/zinc/01/76/32/1099017632.db2.gz HHGYDKOACGIYTR-KBPBESRZSA-N 2 1 308.853 3.257 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235425868 1099019838 /nfs/dbraw/zinc/01/98/38/1099019838.db2.gz JQCNAFLWMFPGLQ-IRXDYDNUSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cccc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235425870 1099020455 /nfs/dbraw/zinc/02/04/55/1099020455.db2.gz JQCNAFLWMFPGLQ-SJORKVTESA-N 2 1 302.462 3.215 20 0 DGADMP Oc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428547 1099021301 /nfs/dbraw/zinc/02/13/01/1099021301.db2.gz OOKVAPNLJPPSAL-LSDHHAIUSA-N 2 1 308.853 3.257 20 0 DGADMP Oc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235428547 1099021311 /nfs/dbraw/zinc/02/13/11/1099021311.db2.gz OOKVAPNLJPPSAL-LSDHHAIUSA-N 2 1 308.853 3.257 20 0 DGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1F ZINC001235429508 1099021501 /nfs/dbraw/zinc/02/15/01/1099021501.db2.gz YTJNDOOELFPOJA-QWHCGFSZSA-N 2 1 312.379 3.316 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235428335 1099022537 /nfs/dbraw/zinc/02/25/37/1099022537.db2.gz OEHLJMIENDUEFP-KBPBESRZSA-N 2 1 324.415 3.185 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429832 1099025225 /nfs/dbraw/zinc/02/52/25/1099025225.db2.gz ZYMMAJBQOPYZBK-HUUCEWRRSA-N 2 1 306.425 3.046 20 0 DGADMP COCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235430823 1099025329 /nfs/dbraw/zinc/02/53/29/1099025329.db2.gz YCXUKSBGEUQBAG-RBUKOAKNSA-N 2 1 302.462 3.045 20 0 DGADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430264 1099025983 /nfs/dbraw/zinc/02/59/83/1099025983.db2.gz WHKUDPAFORUBFZ-UONOGXRCSA-N 2 1 308.853 3.257 20 0 DGADMP COc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429828 1099026845 /nfs/dbraw/zinc/02/68/45/1099026845.db2.gz ZYMMAJBQOPYZBK-GJZGRUSLSA-N 2 1 306.425 3.046 20 0 DGADMP Cc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1Br ZINC001235432981 1099028483 /nfs/dbraw/zinc/02/84/83/1099028483.db2.gz CENPLJLXTHKMQA-UHFFFAOYSA-N 2 1 311.267 3.189 20 0 DGADMP COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432323 1099029256 /nfs/dbraw/zinc/02/92/56/1099029256.db2.gz XASSGLKGNFQWSF-KGLIPLIRSA-N 2 1 324.415 3.185 20 0 DGADMP COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431278 1099029327 /nfs/dbraw/zinc/02/93/27/1099029327.db2.gz ZGBPYDDSZIVNSG-SJORKVTESA-N 2 1 302.462 3.215 20 0 DGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235432737 1099029451 /nfs/dbraw/zinc/02/94/51/1099029451.db2.gz XVPHQUZCRHBNLE-HUUCEWRRSA-N 2 1 308.416 3.485 20 0 DGADMP COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431274 1099030047 /nfs/dbraw/zinc/03/00/47/1099030047.db2.gz ZGBPYDDSZIVNSG-IAGOWNOFSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001235433779 1099030343 /nfs/dbraw/zinc/03/03/43/1099030343.db2.gz PYPDYQZUSXEEBC-UHFFFAOYSA-N 2 1 316.367 3.145 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccc(O)cc2)cc1)CC1CC[NH2+]CC1 ZINC001235433346 1099033018 /nfs/dbraw/zinc/03/30/18/1099033018.db2.gz UCJSBOPKSUQOJL-UHFFFAOYSA-N 2 1 310.441 3.491 20 0 DGADMP CN(c1ccc(F)cc1)c1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC001235435684 1099034567 /nfs/dbraw/zinc/03/45/67/1099034567.db2.gz USUMLOSKDYHSGB-UHFFFAOYSA-N 2 1 301.409 3.374 20 0 DGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](CCCO)CC3)C2)cc1 ZINC001235595090 1099094628 /nfs/dbraw/zinc/09/46/28/1099094628.db2.gz AITBFPRZHLVYDN-UHFFFAOYSA-N 2 1 316.489 3.055 20 0 DGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](CCCCC[NH3+])CC[C@@H]21 ZINC001235638473 1099106745 /nfs/dbraw/zinc/10/67/45/1099106745.db2.gz NWLUAOYNHIQJQB-ICSRJNTNSA-N 2 1 315.505 3.450 20 0 DGADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235674021 1099117554 /nfs/dbraw/zinc/11/75/54/1099117554.db2.gz KSIQCJIYBCLZEA-FQEVSTJZSA-N 2 1 321.468 3.433 20 0 DGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(F)ccc(N)c2F)CC1 ZINC001235675792 1099118009 /nfs/dbraw/zinc/11/80/09/1099118009.db2.gz MOCNJUQJFJNSGS-UHFFFAOYSA-N 2 1 311.420 3.099 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(F)ccc(N)c2F)CC1 ZINC001235675792 1099118016 /nfs/dbraw/zinc/11/80/16/1099118016.db2.gz MOCNJUQJFJNSGS-UHFFFAOYSA-N 2 1 311.420 3.099 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2[C@H](C)CNCC2(F)F)cc1 ZINC001235677426 1099119415 /nfs/dbraw/zinc/11/94/15/1099119415.db2.gz GYSKIQOLQGMDTR-XYPHTWIQSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677426 1099119422 /nfs/dbraw/zinc/11/94/22/1099119422.db2.gz GYSKIQOLQGMDTR-XYPHTWIQSA-N 2 1 324.415 3.323 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235677426 1099119429 /nfs/dbraw/zinc/11/94/29/1099119429.db2.gz GYSKIQOLQGMDTR-XYPHTWIQSA-N 2 1 324.415 3.323 20 0 DGADMP c1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1C[NH2+]C2 ZINC001235679912 1099123736 /nfs/dbraw/zinc/12/37/36/1099123736.db2.gz SFBKTPKYDTZNLD-FQEVSTJZSA-N 3 1 313.489 3.130 20 0 DGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1C[NH2+]C2 ZINC001235679912 1099123745 /nfs/dbraw/zinc/12/37/45/1099123745.db2.gz SFBKTPKYDTZNLD-FQEVSTJZSA-N 3 1 313.489 3.130 20 0 DGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235680663 1099124103 /nfs/dbraw/zinc/12/41/03/1099124103.db2.gz VTFCXMKLLZJOMK-IBGZPJMESA-N 3 1 319.537 3.107 20 0 DGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235680552 1099124211 /nfs/dbraw/zinc/12/42/11/1099124211.db2.gz TXZZZIQDFMAOEW-IBGZPJMESA-N 2 1 313.420 3.458 20 0 DGADMP [NH3+]CCCC[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235688841 1099128651 /nfs/dbraw/zinc/12/86/51/1099128651.db2.gz TWBIJAJMCLNQAK-HNNXBMFYSA-N 2 1 316.367 3.288 20 0 DGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)ccc(Cl)c1F ZINC001235717644 1099144327 /nfs/dbraw/zinc/14/43/27/1099144327.db2.gz XDIVZWURMOWSIH-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)ccc(Cl)c1F ZINC001235717644 1099144331 /nfs/dbraw/zinc/14/43/31/1099144331.db2.gz XDIVZWURMOWSIH-UHFFFAOYSA-N 2 1 302.796 3.440 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235694373 1099132552 /nfs/dbraw/zinc/13/25/52/1099132552.db2.gz DHMNNUDHROQXKO-MRXNPFEDSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235694373 1099132556 /nfs/dbraw/zinc/13/25/56/1099132556.db2.gz DHMNNUDHROQXKO-MRXNPFEDSA-N 2 1 324.509 3.353 20 0 DGADMP [NH3+]CCCC[N@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235709365 1099139996 /nfs/dbraw/zinc/13/99/96/1099139996.db2.gz FXCVJCUGEGMUBS-AWEZNQCLSA-N 2 1 317.260 3.323 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1N1CCCCC1 ZINC001235716970 1099143721 /nfs/dbraw/zinc/14/37/21/1099143721.db2.gz PQDHHNGYAXTGLG-UHFFFAOYSA-N 2 1 315.505 3.498 20 0 DGADMP c1ccc(COC[C@H]2CC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235715846 1099144568 /nfs/dbraw/zinc/14/45/68/1099144568.db2.gz UTBHWPHEWXENRN-LJQANCHMSA-N 2 1 314.473 3.057 20 0 DGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC001235749781 1099163374 /nfs/dbraw/zinc/16/33/74/1099163374.db2.gz KJCAANMSFKFGAD-QGZVFWFLSA-N 2 1 309.457 3.200 20 0 DGADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001235748508 1099163540 /nfs/dbraw/zinc/16/35/40/1099163540.db2.gz AXELVZWMLGFECK-OAHLLOKOSA-N 2 1 300.377 3.399 20 0 DGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001235748508 1099163546 /nfs/dbraw/zinc/16/35/46/1099163546.db2.gz AXELVZWMLGFECK-OAHLLOKOSA-N 2 1 300.377 3.399 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(OCc2ccccc2)c1 ZINC001235749051 1099163971 /nfs/dbraw/zinc/16/39/71/1099163971.db2.gz GBANYACFQOSULH-GOSISDBHSA-N 2 1 310.441 3.355 20 0 DGADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235793762 1099184247 /nfs/dbraw/zinc/18/42/47/1099184247.db2.gz BUNJKSOQESKWQX-SFHVURJKSA-N 2 1 324.468 3.334 20 0 DGADMP CC1(C)[NH2+][C@@H](CCN2CC[C@H](c3ccccc3Cl)C2)CO1 ZINC001235826762 1099196879 /nfs/dbraw/zinc/19/68/79/1099196879.db2.gz BOQAVYSUTQSRJQ-KBPBESRZSA-N 2 1 308.853 3.244 20 0 DGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCCc3ccccc3C2)c1 ZINC001235833154 1099198991 /nfs/dbraw/zinc/19/89/91/1099198991.db2.gz CXLLGYSYDWSOPX-UHFFFAOYSA-N 2 1 321.468 3.045 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCc1ccccc1Cl ZINC001235839451 1099202411 /nfs/dbraw/zinc/20/24/11/1099202411.db2.gz SJKDXEJSOPQKDN-GXTWGEPZSA-N 2 1 316.823 3.305 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCc1ccccc1Cl ZINC001235839451 1099202422 /nfs/dbraw/zinc/20/24/22/1099202422.db2.gz SJKDXEJSOPQKDN-GXTWGEPZSA-N 2 1 316.823 3.305 20 0 DGADMP COc1ccc(CC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235840308 1099203146 /nfs/dbraw/zinc/20/31/46/1099203146.db2.gz IVHUYFUUCLTNEU-UHFFFAOYSA-N 2 1 310.441 3.015 20 0 DGADMP CCOc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235841317 1099204144 /nfs/dbraw/zinc/20/41/44/1099204144.db2.gz VLHLOPFNCLYNFJ-WMZOPIPTSA-N 2 1 318.461 3.337 20 0 DGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235841317 1099204147 /nfs/dbraw/zinc/20/41/47/1099204147.db2.gz VLHLOPFNCLYNFJ-WMZOPIPTSA-N 2 1 318.461 3.337 20 0 DGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CCCC(=O)c1cccnc1 ZINC001235841457 1099205187 /nfs/dbraw/zinc/20/51/87/1099205187.db2.gz ZCSRDAOXOCRPAZ-UHFFFAOYSA-N 2 1 317.477 3.289 20 0 DGADMP C[N@H+](Cc1ccc(COc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842765 1099206978 /nfs/dbraw/zinc/20/69/78/1099206978.db2.gz RDGSCKKRFJCQAQ-IBGZPJMESA-N 2 1 310.441 3.307 20 0 DGADMP CCCC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179823791 1099221471 /nfs/dbraw/zinc/22/14/71/1099221471.db2.gz BOOCPDHMWFFZNU-UHFFFAOYSA-N 2 1 322.497 3.038 20 0 DGADMP Cc1ccc(Br)c(C[NH+]2CC(CC[NH3+])C2)c1Cl ZINC001235919521 1099257967 /nfs/dbraw/zinc/25/79/67/1099257967.db2.gz YHCBVAOOCHHMDX-UHFFFAOYSA-N 2 1 317.658 3.192 20 0 DGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001179988426 1099265952 /nfs/dbraw/zinc/26/59/52/1099265952.db2.gz GTWXMXYTINJTTF-UHFFFAOYSA-N 2 1 313.530 3.031 20 0 DGADMP c1ccc(OCc2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235936784 1099269514 /nfs/dbraw/zinc/26/95/14/1099269514.db2.gz HDPIICZYLVQTMT-WOJBJXKFSA-N 2 1 322.452 3.307 20 0 DGADMP Cn1c2ccccc2c2cc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)ccc21 ZINC001235935970 1099271422 /nfs/dbraw/zinc/27/14/22/1099271422.db2.gz FSYZDWDGMQFSAK-SJORKVTESA-N 2 1 319.452 3.373 20 0 DGADMP Clc1ccc(-n2cccc2C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235943876 1099277299 /nfs/dbraw/zinc/27/72/99/1099277299.db2.gz ZQAXZXHOCCZSBN-CABCVRRESA-N 2 1 315.848 3.172 20 0 DGADMP COc1ccc([C@H](C)[N@H+](C)C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949923 1099283065 /nfs/dbraw/zinc/28/30/65/1099283065.db2.gz KGMJIVBMWHTRMF-WWGRRREGSA-N 2 1 312.404 3.179 20 0 DGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235949923 1099283076 /nfs/dbraw/zinc/28/30/76/1099283076.db2.gz KGMJIVBMWHTRMF-WWGRRREGSA-N 2 1 312.404 3.179 20 0 DGADMP Fc1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001235949443 1099283940 /nfs/dbraw/zinc/28/39/40/1099283940.db2.gz KTAUXRBSDZRDIL-SFHVURJKSA-N 2 1 310.416 3.461 20 0 DGADMP C[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235951390 1099286035 /nfs/dbraw/zinc/28/60/35/1099286035.db2.gz RSYPNBLXDCSWBM-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+](Cc1cc(F)ccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235951390 1099286043 /nfs/dbraw/zinc/28/60/43/1099286043.db2.gz RSYPNBLXDCSWBM-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235959387 1099291422 /nfs/dbraw/zinc/29/14/22/1099291422.db2.gz PFJDHHOADZNUDC-CEQLMSFQSA-N 2 1 322.452 3.435 20 0 DGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235960062 1099291780 /nfs/dbraw/zinc/29/17/80/1099291780.db2.gz VBPJEWVJTFTTKR-MIFYACCESA-N 2 1 312.379 3.307 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@H+](Cc2ccccn2)C2CCCCC2)CO1 ZINC001235963425 1099293571 /nfs/dbraw/zinc/29/35/71/1099293571.db2.gz SVWBAPTXHFZNKO-KRWDZBQOSA-N 2 1 317.477 3.331 20 0 DGADMP CC1(C)[NH2+][C@@H](CC[N@@H+](Cc2ccccn2)C2CCCCC2)CO1 ZINC001235963425 1099293582 /nfs/dbraw/zinc/29/35/82/1099293582.db2.gz SVWBAPTXHFZNKO-KRWDZBQOSA-N 2 1 317.477 3.331 20 0 DGADMP CC[N@H+](Cc1cccc(OC)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235962523 1099293691 /nfs/dbraw/zinc/29/36/91/1099293691.db2.gz MDJXWZYASLGXEV-UHFFFAOYSA-N 2 1 310.441 3.363 20 0 DGADMP Clc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235972271 1099301921 /nfs/dbraw/zinc/30/19/21/1099301921.db2.gz FLZLGOACNVFSNI-YOEHRIQHSA-N 2 1 308.853 3.183 20 0 DGADMP Cc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1O ZINC001235974582 1099303989 /nfs/dbraw/zinc/30/39/89/1099303989.db2.gz RZRBPXKRCNWZLA-UHFFFAOYSA-N 2 1 322.452 3.338 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001180080563 1099305138 /nfs/dbraw/zinc/30/51/38/1099305138.db2.gz FFQXALNJBFROIB-GOSISDBHSA-N 2 1 319.493 3.051 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991771 1099315843 /nfs/dbraw/zinc/31/58/43/1099315843.db2.gz HRCFTXBNRUZVGR-FGZQJIAISA-N 2 1 304.400 3.081 20 0 DGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991771 1099315856 /nfs/dbraw/zinc/31/58/56/1099315856.db2.gz HRCFTXBNRUZVGR-FGZQJIAISA-N 2 1 304.400 3.081 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997498 1099320460 /nfs/dbraw/zinc/32/04/60/1099320460.db2.gz YPQAKHOHRPSCAW-SFTDATJTSA-N 2 1 306.453 3.395 20 0 DGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235997498 1099320470 /nfs/dbraw/zinc/32/04/70/1099320470.db2.gz YPQAKHOHRPSCAW-SFTDATJTSA-N 2 1 306.453 3.395 20 0 DGADMP CCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)s1 ZINC001236008264 1099330586 /nfs/dbraw/zinc/33/05/86/1099330586.db2.gz DKYNJMMYHWSURC-APWZRJJASA-N 2 1 312.482 3.284 20 0 DGADMP Cc1cc(F)cc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011965 1099336264 /nfs/dbraw/zinc/33/62/64/1099336264.db2.gz ZVTBTSXCKLBIOG-NQIIRXRSSA-N 2 1 324.443 3.416 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045516 1099348056 /nfs/dbraw/zinc/34/80/56/1099348056.db2.gz VOCXXDPCQCOSFN-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001236045516 1099348067 /nfs/dbraw/zinc/34/80/67/1099348067.db2.gz VOCXXDPCQCOSFN-WFASDCNBSA-N 2 1 300.368 3.307 20 0 DGADMP CC1(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]CC1 ZINC001236086896 1099379941 /nfs/dbraw/zinc/37/99/41/1099379941.db2.gz WCRIFLASMQCWSZ-UHFFFAOYSA-N 2 1 312.379 3.453 20 0 DGADMP COc1ccc(C[C@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)cc1 ZINC001236091913 1099380550 /nfs/dbraw/zinc/38/05/50/1099380550.db2.gz AGDCDRIOHCYDEX-GOSISDBHSA-N 2 1 316.489 3.339 20 0 DGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001236092611 1099381821 /nfs/dbraw/zinc/38/18/21/1099381821.db2.gz NLXFSMIWNRIYOA-IBGZPJMESA-N 2 1 316.489 3.339 20 0 DGADMP C[N@@H+](CCC(=O)c1cccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236100639 1099387949 /nfs/dbraw/zinc/38/79/49/1099387949.db2.gz FSXYUYBEEKXZOE-UHFFFAOYSA-N 2 1 314.454 3.099 20 0 DGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001180369426 1099398613 /nfs/dbraw/zinc/39/86/13/1099398613.db2.gz FIHUFDOHQHWGEA-UHFFFAOYSA-N 2 1 323.525 3.093 20 0 DGADMP C[N@H+](CCCC[NH3+])Cc1c(Cl)ccc(Br)c1F ZINC001236141040 1099426263 /nfs/dbraw/zinc/42/62/63/1099426263.db2.gz DICGEEPBVSSGKH-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP C[N@@H+](CCCC[NH3+])Cc1c(Cl)ccc(Br)c1F ZINC001236141040 1099426269 /nfs/dbraw/zinc/42/62/69/1099426269.db2.gz DICGEEPBVSSGKH-UHFFFAOYSA-N 2 1 323.637 3.412 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155069 1099436128 /nfs/dbraw/zinc/43/61/28/1099436128.db2.gz GCMMJGBGDXXTFR-GDBMZVCRSA-N 2 1 310.432 3.430 20 0 DGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001236155069 1099436133 /nfs/dbraw/zinc/43/61/33/1099436133.db2.gz GCMMJGBGDXXTFR-GDBMZVCRSA-N 2 1 310.432 3.430 20 0 DGADMP CCC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236184203 1099453466 /nfs/dbraw/zinc/45/34/66/1099453466.db2.gz GVBPJOJROONVQF-UHFFFAOYSA-N 2 1 324.852 3.091 20 0 DGADMP COc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(C)c1F ZINC001236189645 1099456920 /nfs/dbraw/zinc/45/69/20/1099456920.db2.gz CMZCUWCSMPXXIZ-UHFFFAOYSA-N 2 1 311.360 3.144 20 0 DGADMP CCOC(OCC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236219300 1099476094 /nfs/dbraw/zinc/47/60/94/1099476094.db2.gz VBRZXJCHLXDHBH-QZTJIDSGSA-N 2 1 320.477 3.460 20 0 DGADMP CCOC(OCC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236219300 1099476102 /nfs/dbraw/zinc/47/61/02/1099476102.db2.gz VBRZXJCHLXDHBH-QZTJIDSGSA-N 2 1 320.477 3.460 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1(C)CC[NH2+]CC1 ZINC001236222294 1099480454 /nfs/dbraw/zinc/48/04/54/1099480454.db2.gz HNNBXORDIIXRPZ-UHFFFAOYSA-N 2 1 302.340 3.159 20 0 DGADMP COc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1C(F)(F)F ZINC001236225749 1099483632 /nfs/dbraw/zinc/48/36/32/1099483632.db2.gz FGUPIZFNBIFLFR-UHFFFAOYSA-N 2 1 316.367 3.288 20 0 DGADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCCC[NH3+] ZINC001236235964 1099489552 /nfs/dbraw/zinc/48/95/52/1099489552.db2.gz HRFGWJMYYVZDQH-OAGGEKHMSA-N 2 1 310.482 3.090 20 0 DGADMP c1ccc(COc2ccccc2C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236239566 1099492920 /nfs/dbraw/zinc/49/29/20/1099492920.db2.gz GPPCORXSUVGWLH-UHFFFAOYSA-N 2 1 310.441 3.451 20 0 DGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H]1C ZINC001180802476 1099509972 /nfs/dbraw/zinc/50/99/72/1099509972.db2.gz RGFXDGCSGYDXRO-GJJHYRHESA-N 2 1 316.489 3.168 20 0 DGADMP [NH3+]CCCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303497 1099524077 /nfs/dbraw/zinc/52/40/77/1099524077.db2.gz BIDGMOHMZPYRMY-UHFFFAOYSA-N 3 1 315.505 3.104 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236304652 1099524926 /nfs/dbraw/zinc/52/49/26/1099524926.db2.gz NDKVIAMUIXLQKS-RBUKOAKNSA-N 2 1 316.489 3.482 20 0 DGADMP COc1cccc(C[C@H]2CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)c1 ZINC001236304215 1099525914 /nfs/dbraw/zinc/52/59/14/1099525914.db2.gz JBLRIRMSOPLSRN-GOSISDBHSA-N 2 1 316.489 3.339 20 0 DGADMP Clc1cccc2c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccnc12 ZINC001236320610 1099533069 /nfs/dbraw/zinc/53/30/69/1099533069.db2.gz JVKRYYGMNSINFR-OKILXGFUSA-N 2 1 315.848 3.320 20 0 DGADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320654 1099533764 /nfs/dbraw/zinc/53/37/64/1099533764.db2.gz SSLNZYRXMMOETF-GASCZTMLSA-N 2 1 323.278 3.189 20 0 DGADMP Oc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236319691 1099534092 /nfs/dbraw/zinc/53/40/92/1099534092.db2.gz CXZQNLXZHCJKOO-PHIMTYICSA-N 2 1 315.244 3.130 20 0 DGADMP c1sc(-c2ccccc2)nc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320009 1099534184 /nfs/dbraw/zinc/53/41/84/1099534184.db2.gz KBMIABDNXRPXEX-IYBDPMFKSA-N 2 1 313.470 3.242 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001236321671 1099535481 /nfs/dbraw/zinc/53/54/81/1099535481.db2.gz KTEPBSKTOLZUEH-GASCZTMLSA-N 2 1 312.379 3.445 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1 ZINC001236321787 1099536161 /nfs/dbraw/zinc/53/61/61/1099536161.db2.gz PYSZBSQYXSVLLG-GASCZTMLSA-N 2 1 306.425 3.044 20 0 DGADMP c1ccc(COCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236371886 1099557924 /nfs/dbraw/zinc/55/79/24/1099557924.db2.gz NYDIBYVTBHGJHK-LJQANCHMSA-N 2 1 316.489 3.447 20 0 DGADMP COc1ccccc1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373522 1099558281 /nfs/dbraw/zinc/55/82/81/1099558281.db2.gz YRNUSJKZNWXYQZ-KRWDZBQOSA-N 2 1 316.489 3.482 20 0 DGADMP Oc1ccc(F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374095 1099559273 /nfs/dbraw/zinc/55/92/73/1099559273.db2.gz OYNQMTZDUAHCLX-CQSZACIVSA-N 2 1 306.425 3.276 20 0 DGADMP Oc1ccc(F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374095 1099559283 /nfs/dbraw/zinc/55/92/83/1099559283.db2.gz OYNQMTZDUAHCLX-CQSZACIVSA-N 2 1 306.425 3.276 20 0 DGADMP c1nc2cc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)ccc2[nH]1 ZINC001236374458 1099561348 /nfs/dbraw/zinc/56/13/48/1099561348.db2.gz ROXKDSAHZCBKMT-INIZCTEOSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2ccc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cc2[nH]1 ZINC001236374458 1099561358 /nfs/dbraw/zinc/56/13/58/1099561358.db2.gz ROXKDSAHZCBKMT-INIZCTEOSA-N 2 1 312.461 3.307 20 0 DGADMP c1nc2ccc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cc2[nH]1 ZINC001236374458 1099561369 /nfs/dbraw/zinc/56/13/69/1099561369.db2.gz ROXKDSAHZCBKMT-INIZCTEOSA-N 2 1 312.461 3.307 20 0 DGADMP Cc1cc(C)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cn1 ZINC001236377213 1099564338 /nfs/dbraw/zinc/56/43/38/1099564338.db2.gz YVABRQVAPGESMP-KRWDZBQOSA-N 2 1 301.478 3.443 20 0 DGADMP Cc1cc(O)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236377147 1099565568 /nfs/dbraw/zinc/56/55/68/1099565568.db2.gz YENGJOSKVPYZBO-INIZCTEOSA-N 2 1 302.462 3.445 20 0 DGADMP CC[N@H+](Cc1ccc2cc(N(C)C)ccc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236409014 1099581246 /nfs/dbraw/zinc/58/12/46/1099581246.db2.gz RBEVNWITXNBDDA-QGZVFWFLSA-N 2 1 311.473 3.337 20 0 DGADMP COc1ccc(C2=CC[N@@H+](Cc3cccc(C[NH3+])c3)CC2)cc1 ZINC001236410578 1099583790 /nfs/dbraw/zinc/58/37/90/1099583790.db2.gz GRSCNEBUOSMKPK-UHFFFAOYSA-N 2 1 308.425 3.443 20 0 DGADMP C[N@H+](Cc1ccc(-c2ccc(Cl)cn2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412552 1099586587 /nfs/dbraw/zinc/58/65/87/1099586587.db2.gz WOVIWBCUUCJBIT-VQFNDLOPSA-N 2 1 313.832 3.052 20 0 DGADMP C[N@@H+](Cc1ccc(-c2ccc(Cl)cn2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412552 1099586597 /nfs/dbraw/zinc/58/65/97/1099586597.db2.gz WOVIWBCUUCJBIT-VQFNDLOPSA-N 2 1 313.832 3.052 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414087 1099588552 /nfs/dbraw/zinc/58/85/52/1099588552.db2.gz JEYBVQLIZORHDH-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001236414087 1099588560 /nfs/dbraw/zinc/58/85/60/1099588560.db2.gz JEYBVQLIZORHDH-IUODEOHRSA-N 2 1 300.368 3.450 20 0 DGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236433824 1099608658 /nfs/dbraw/zinc/60/86/58/1099608658.db2.gz MGNOMHXBBWMVJI-CQSZACIVSA-N 2 1 302.340 3.461 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1[nH]nc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC001236459241 1099623334 /nfs/dbraw/zinc/62/33/34/1099623334.db2.gz JJUFVRWVBLYTNI-UHFFFAOYSA-N 2 1 318.440 3.302 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1cccc2c1CCN2)C1CC[NH2+]CC1 ZINC001236459172 1099623532 /nfs/dbraw/zinc/62/35/32/1099623532.db2.gz GVHIRDDNKJVYQJ-UHFFFAOYSA-N 2 1 301.478 3.255 20 0 DGADMP C[NH+](C)CC1(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)CCCC1 ZINC001236458009 1099623625 /nfs/dbraw/zinc/62/36/25/1099623625.db2.gz PHGKDSBMMCXQQO-UHFFFAOYSA-N 3 1 309.542 3.209 20 0 DGADMP C[NH+](C)CC1(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)CCCC1 ZINC001236458009 1099623628 /nfs/dbraw/zinc/62/36/28/1099623628.db2.gz PHGKDSBMMCXQQO-UHFFFAOYSA-N 3 1 309.542 3.209 20 0 DGADMP Cc1cc(F)ccc1C[N@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236515813 1099653967 /nfs/dbraw/zinc/65/39/67/1099653967.db2.gz AMQNHMLMPWBECH-LJQANCHMSA-N 2 1 320.452 3.257 20 0 DGADMP Cc1cc(F)ccc1C[N@@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236515813 1099653975 /nfs/dbraw/zinc/65/39/75/1099653975.db2.gz AMQNHMLMPWBECH-LJQANCHMSA-N 2 1 320.452 3.257 20 0 DGADMP [NH3+]Cc1cccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236542097 1099673116 /nfs/dbraw/zinc/67/31/16/1099673116.db2.gz WYFCNAKBXMRVPP-WGSAOQKQSA-N 3 1 301.478 3.017 20 0 DGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550136 1099675915 /nfs/dbraw/zinc/67/59/15/1099675915.db2.gz HEVAGALLPRFWON-MXVIHJGJSA-N 3 1 315.505 3.060 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CC[NH2+]CC2)C2CCCCC2)CC1 ZINC001236565513 1099680236 /nfs/dbraw/zinc/68/02/36/1099680236.db2.gz ITQFYCUBLSEKAB-UAPYVXQJSA-N 3 1 307.526 3.281 20 0 DGADMP CC1(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001236565908 1099681186 /nfs/dbraw/zinc/68/11/86/1099681186.db2.gz RROUWAJHFGVEAT-SAABIXHNSA-N 3 1 307.526 3.281 20 0 DGADMP Fc1cc(F)c(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236584888 1099690489 /nfs/dbraw/zinc/69/04/89/1099690489.db2.gz ZGIRVZNHKWUJIX-GFCCVEGCSA-N 2 1 312.379 3.110 20 0 DGADMP c1ccn(-c2ccc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)cc2)c1 ZINC001236600767 1099697612 /nfs/dbraw/zinc/69/76/12/1099697612.db2.gz JBPYAYAXWJFLRM-SFHVURJKSA-N 2 1 309.457 3.441 20 0 DGADMP CC(C)Oc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC(C)C)c1 ZINC001236615260 1099704811 /nfs/dbraw/zinc/70/48/11/1099704811.db2.gz HFNPBAOSIWJRJU-IBGZPJMESA-N 2 1 320.477 3.432 20 0 DGADMP CC(C)Oc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC(C)C)c1 ZINC001236615260 1099704820 /nfs/dbraw/zinc/70/48/20/1099704820.db2.gz HFNPBAOSIWJRJU-IBGZPJMESA-N 2 1 320.477 3.432 20 0 DGADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681952 1099740614 /nfs/dbraw/zinc/74/06/14/1099740614.db2.gz MERDEYDANUHXOL-WGSAOQKQSA-N 3 1 303.494 3.278 20 0 DGADMP CCOC(=O)CC[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236726599 1099760537 /nfs/dbraw/zinc/76/05/37/1099760537.db2.gz KONDTYDMLIOZOJ-IYARVYRRSA-N 2 1 318.461 3.020 20 0 DGADMP C[NH+]1CCC(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236756397 1099772686 /nfs/dbraw/zinc/77/26/86/1099772686.db2.gz VTHBBEGLRHXQJJ-MXVIHJGJSA-N 3 1 321.553 3.480 20 0 DGADMP CC(C)(C)C[N@@H+](Cc1ccc(Cl)nc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780576 1099780255 /nfs/dbraw/zinc/78/02/55/1099780255.db2.gz URMJNVWJRQZDEO-HDJSIYSDSA-N 2 1 324.900 3.435 20 0 DGADMP CNc1ncc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236779024 1099781246 /nfs/dbraw/zinc/78/12/46/1099781246.db2.gz FILGPGUCYGMBHS-JOCQHMNTSA-N 2 1 310.511 3.303 20 0 DGADMP CCC[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835716 1099823281 /nfs/dbraw/zinc/82/32/81/1099823281.db2.gz PMNSIPOHSJKRAS-CQSZACIVSA-N 2 1 311.267 3.271 20 0 DGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001236817205 1099804329 /nfs/dbraw/zinc/80/43/29/1099804329.db2.gz AIBCJDVYZGYWJS-INDMIFKZSA-N 2 1 320.521 3.323 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@H]12 ZINC001236822074 1099808029 /nfs/dbraw/zinc/80/80/29/1099808029.db2.gz XZXQOZFAPVMDFA-VNQPRFMTSA-N 2 1 323.278 3.051 20 0 DGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)c1Br ZINC001236825794 1099812405 /nfs/dbraw/zinc/81/24/05/1099812405.db2.gz APUSSXYEMQVNFE-KKUMJFAQSA-N 2 1 323.278 3.235 20 0 DGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)c1Br ZINC001236825794 1099812410 /nfs/dbraw/zinc/81/24/10/1099812410.db2.gz APUSSXYEMQVNFE-KKUMJFAQSA-N 2 1 323.278 3.235 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(O)cc4)cc3)C[C@H]12 ZINC001236832358 1099818095 /nfs/dbraw/zinc/81/80/95/1099818095.db2.gz VDYYOSMUPDEDEB-YSIASYRMSA-N 2 1 308.425 3.228 20 0 DGADMP CCC[N@H+](Cc1cc(CC)c(O)c(CC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844566 1099828198 /nfs/dbraw/zinc/82/81/98/1099828198.db2.gz WJDQLDPRVRWXON-OAHLLOKOSA-N 2 1 304.478 3.339 20 0 DGADMP CCC[N@H+](Cc1ccc(OC)cc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236843360 1099829681 /nfs/dbraw/zinc/82/96/81/1099829681.db2.gz NIAUENJZCSMNFP-MRXNPFEDSA-N 2 1 320.477 3.304 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236847319 1099832787 /nfs/dbraw/zinc/83/27/87/1099832787.db2.gz JIHIIHVTONSMRR-QZTJIDSGSA-N 2 1 316.445 3.142 20 0 DGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236847319 1099832801 /nfs/dbraw/zinc/83/28/01/1099832801.db2.gz JIHIIHVTONSMRR-QZTJIDSGSA-N 2 1 316.445 3.142 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)c2)CC1 ZINC001236887270 1099849138 /nfs/dbraw/zinc/84/91/38/1099849138.db2.gz ICQQLHXGFUVDJV-RTBURBONSA-N 2 1 313.489 3.060 20 0 DGADMP C[N@@H+](CCc1ccccc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236887032 1099849666 /nfs/dbraw/zinc/84/96/66/1099849666.db2.gz KIGZDOVRJAKERP-UHFFFAOYSA-N 2 1 323.484 3.113 20 0 DGADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)c2)CC1 ZINC001236887269 1099850131 /nfs/dbraw/zinc/85/01/31/1099850131.db2.gz ICQQLHXGFUVDJV-RBUKOAKNSA-N 2 1 313.489 3.060 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC001236887810 1099854413 /nfs/dbraw/zinc/85/44/13/1099854413.db2.gz QJKUGNAFBAZXND-MSOLQXFVSA-N 2 1 315.505 3.306 20 0 DGADMP CC(C)[C@H]1CCC[N@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236892589 1099855525 /nfs/dbraw/zinc/85/55/25/1099855525.db2.gz GLNONTQETRBXPK-LJQANCHMSA-N 2 1 301.478 3.059 20 0 DGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccoc43)C[C@H]2C1 ZINC001236900883 1099863070 /nfs/dbraw/zinc/86/30/70/1099863070.db2.gz DWYFPAVLHDMXRV-HUUCEWRRSA-N 2 1 302.393 3.346 20 0 DGADMP CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966339 1099895795 /nfs/dbraw/zinc/89/57/95/1099895795.db2.gz FLHQVNMBGTWNDP-KRWDZBQOSA-N 2 1 319.468 3.342 20 0 DGADMP CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966339 1099895801 /nfs/dbraw/zinc/89/58/01/1099895801.db2.gz FLHQVNMBGTWNDP-KRWDZBQOSA-N 2 1 319.468 3.342 20 0 DGADMP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)ccc1C(F)(F)F ZINC001237060281 1099953823 /nfs/dbraw/zinc/95/38/23/1099953823.db2.gz ZECSOCAHOLBBPP-OAHLLOKOSA-N 2 1 316.367 3.275 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)ccc1C(F)(F)F ZINC001237060281 1099953833 /nfs/dbraw/zinc/95/38/33/1099953833.db2.gz ZECSOCAHOLBBPP-OAHLLOKOSA-N 2 1 316.367 3.275 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001237082007 1099960639 /nfs/dbraw/zinc/96/06/39/1099960639.db2.gz OOFJXOVLPRHMHU-QGZVFWFLSA-N 2 1 319.836 3.155 20 0 DGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)C1 ZINC001237082007 1099960651 /nfs/dbraw/zinc/96/06/51/1099960651.db2.gz OOFJXOVLPRHMHU-QGZVFWFLSA-N 2 1 319.836 3.155 20 0 DGADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001237188521 1100022559 /nfs/dbraw/zinc/02/25/59/1100022559.db2.gz PVEVCULOKJXVDP-JXFKEZNVSA-N 2 1 316.464 3.495 20 0 DGADMP CC1(C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC[NH2+]CC1 ZINC001237188944 1100023094 /nfs/dbraw/zinc/02/30/94/1100023094.db2.gz SEIXBWBTBVNEFP-HXUWFJFHSA-N 2 1 316.464 3.495 20 0 DGADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001237187731 1100023949 /nfs/dbraw/zinc/02/39/49/1100023949.db2.gz JPZYNRXEILEPRX-DNVCBOLYSA-N 2 1 302.437 3.105 20 0 DGADMP C[C@H]1C(=O)CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C12CCCC2 ZINC001237191217 1100025431 /nfs/dbraw/zinc/02/54/31/1100025431.db2.gz LIMKGZKQTPOTIZ-HNNXBMFYSA-N 2 1 312.457 3.056 20 0 DGADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@@H]3CCC[NH2+]C3)CC[C@@H]1N2 ZINC001237235262 1100042041 /nfs/dbraw/zinc/04/20/41/1100042041.db2.gz NVPJCDQARQZDGM-OWQGQXMQSA-N 2 1 319.880 3.313 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C(F)F ZINC001237275438 1100055090 /nfs/dbraw/zinc/05/50/90/1100055090.db2.gz APRPZKPCGFAPHO-KRWDZBQOSA-N 2 1 310.388 3.160 20 0 DGADMP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C(F)F ZINC001237275438 1100055099 /nfs/dbraw/zinc/05/50/99/1100055099.db2.gz APRPZKPCGFAPHO-KRWDZBQOSA-N 2 1 310.388 3.160 20 0 DGADMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1C(F)F ZINC001237275438 1100055109 /nfs/dbraw/zinc/05/51/09/1100055109.db2.gz APRPZKPCGFAPHO-KRWDZBQOSA-N 2 1 310.388 3.160 20 0 DGADMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1C(F)F ZINC001237275438 1100055116 /nfs/dbraw/zinc/05/51/16/1100055116.db2.gz APRPZKPCGFAPHO-KRWDZBQOSA-N 2 1 310.388 3.160 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCNc4ccccc43)CC2)C1 ZINC001237318108 1100074797 /nfs/dbraw/zinc/07/47/97/1100074797.db2.gz CMBSGDJBKNYIKW-QGZVFWFLSA-N 2 1 313.489 3.178 20 0 DGADMP CCN(Cc1ccc(OC(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001237356789 1100093490 /nfs/dbraw/zinc/09/34/90/1100093490.db2.gz JJOSFQIVYBYBEP-UHFFFAOYSA-N 2 1 316.367 3.343 20 0 DGADMP Clc1c[nH]c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c12 ZINC001237383129 1100100724 /nfs/dbraw/zinc/10/07/24/1100100724.db2.gz OJUQGGHHKLWBJT-SWLSCSKDSA-N 2 1 303.837 3.395 20 0 DGADMP Clc1c[nH]c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c12 ZINC001237383129 1100100729 /nfs/dbraw/zinc/10/07/29/1100100729.db2.gz OJUQGGHHKLWBJT-SWLSCSKDSA-N 2 1 303.837 3.395 20 0 DGADMP COc1ccc2oc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237381602 1100100962 /nfs/dbraw/zinc/10/09/62/1100100962.db2.gz JEBIKFHTHDKCIA-GUYCJALGSA-N 2 1 300.402 3.015 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2c1 ZINC001237381602 1100100964 /nfs/dbraw/zinc/10/09/64/1100100964.db2.gz JEBIKFHTHDKCIA-GUYCJALGSA-N 2 1 300.402 3.015 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237384435 1100102696 /nfs/dbraw/zinc/10/26/96/1100102696.db2.gz WWETYPGCVBXBGT-UKRRQHHQSA-N 2 1 314.351 3.159 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237384435 1100102701 /nfs/dbraw/zinc/10/27/01/1100102701.db2.gz WWETYPGCVBXBGT-UKRRQHHQSA-N 2 1 314.351 3.159 20 0 DGADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)c1C ZINC001237390482 1100105770 /nfs/dbraw/zinc/10/57/70/1100105770.db2.gz IRUCJSJHTSVVDJ-AEFFLSMTSA-N 2 1 302.462 3.194 20 0 DGADMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)F ZINC001237409841 1100116271 /nfs/dbraw/zinc/11/62/71/1100116271.db2.gz BUFPAUMPYPWRHD-HIFRSBDPSA-N 2 1 310.388 3.207 20 0 DGADMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)F ZINC001237409841 1100116277 /nfs/dbraw/zinc/11/62/77/1100116277.db2.gz BUFPAUMPYPWRHD-HIFRSBDPSA-N 2 1 310.388 3.207 20 0 DGADMP Clc1ccc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2n1 ZINC001237418929 1100121947 /nfs/dbraw/zinc/12/19/47/1100121947.db2.gz YSXCMCKLKUHXSS-CVEARBPZSA-N 2 1 315.848 3.462 20 0 DGADMP Clc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2n1 ZINC001237418929 1100121951 /nfs/dbraw/zinc/12/19/51/1100121951.db2.gz YSXCMCKLKUHXSS-CVEARBPZSA-N 2 1 315.848 3.462 20 0 DGADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545362 1100166395 /nfs/dbraw/zinc/16/63/95/1100166395.db2.gz BDRCSHWMNCDABO-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545362 1100166398 /nfs/dbraw/zinc/16/63/98/1100166398.db2.gz BDRCSHWMNCDABO-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545362 1100166404 /nfs/dbraw/zinc/16/64/04/1100166404.db2.gz BDRCSHWMNCDABO-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545362 1100166408 /nfs/dbraw/zinc/16/64/08/1100166408.db2.gz BDRCSHWMNCDABO-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237545362 1100166413 /nfs/dbraw/zinc/16/64/13/1100166413.db2.gz BDRCSHWMNCDABO-FQEVSTJZSA-N 2 1 307.441 3.276 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)cc21 ZINC001237876721 1100275285 /nfs/dbraw/zinc/27/52/85/1100275285.db2.gz HRMCEGOSMLZZBF-MJGOQNOKSA-N 2 1 312.457 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@@H](O)CC3)cc21 ZINC001237880684 1100280354 /nfs/dbraw/zinc/28/03/54/1100280354.db2.gz IPRVZVGVCYAFCK-BEFAXECRSA-N 2 1 314.473 3.281 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H]4OCC[C@H]4C3)cc21 ZINC001237887719 1100282107 /nfs/dbraw/zinc/28/21/07/1100282107.db2.gz XGNAQAZPKPHMMD-PKOBYXMFSA-N 2 1 312.457 3.299 20 0 DGADMP CC(C)C1=[NH+]CCc2ccc(CN3CC[N@@H+](C)C(C)(C)C3)cc21 ZINC001237886191 1100282426 /nfs/dbraw/zinc/28/24/26/1100282426.db2.gz MNVDLCGGKHAOKV-UHFFFAOYSA-N 2 1 313.489 3.214 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc2c[nH+]cn21 ZINC001238112050 1100364061 /nfs/dbraw/zinc/36/40/61/1100364061.db2.gz AKAYRBAKNSOBEI-DLBZAZTESA-N 3 1 312.461 3.173 20 0 DGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc2cncn21 ZINC001238112050 1100364073 /nfs/dbraw/zinc/36/40/73/1100364073.db2.gz AKAYRBAKNSOBEI-DLBZAZTESA-N 3 1 312.461 3.173 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc2cncn21 ZINC001238112050 1100364081 /nfs/dbraw/zinc/36/40/81/1100364081.db2.gz AKAYRBAKNSOBEI-DLBZAZTESA-N 3 1 312.461 3.173 20 0 DGADMP COc1ccc([C@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238111262 1100365566 /nfs/dbraw/zinc/36/55/66/1100365566.db2.gz SRRFFUNCEOGMDP-INIZCTEOSA-N 2 1 307.397 3.332 20 0 DGADMP COc1ccc([C@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238111262 1100365574 /nfs/dbraw/zinc/36/55/74/1100365574.db2.gz SRRFFUNCEOGMDP-INIZCTEOSA-N 2 1 307.397 3.332 20 0 DGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205546054 1100375407 /nfs/dbraw/zinc/37/54/07/1100375407.db2.gz PSJZHLPJCQVQDJ-OAHLLOKOSA-N 2 1 318.358 3.401 20 0 DGADMP CCCC[NH+]1CCC(N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC001238179606 1100382817 /nfs/dbraw/zinc/38/28/17/1100382817.db2.gz XLZYBMXJLDRWNZ-UHFFFAOYSA-N 2 1 319.493 3.403 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@@H+]1C ZINC001191416169 1100462959 /nfs/dbraw/zinc/46/29/59/1100462959.db2.gz FKDCLTRRAXPKPK-WBVHZDCISA-N 2 1 304.554 3.146 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@H+]1C ZINC001191416169 1100462963 /nfs/dbraw/zinc/46/29/63/1100462963.db2.gz FKDCLTRRAXPKPK-WBVHZDCISA-N 2 1 304.554 3.146 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416169 1100462969 /nfs/dbraw/zinc/46/29/69/1100462969.db2.gz FKDCLTRRAXPKPK-WBVHZDCISA-N 2 1 304.554 3.146 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416169 1100462972 /nfs/dbraw/zinc/46/29/72/1100462972.db2.gz FKDCLTRRAXPKPK-WBVHZDCISA-N 2 1 304.554 3.146 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@@H+]1C ZINC001191416163 1100463601 /nfs/dbraw/zinc/46/36/01/1100463601.db2.gz FKDCLTRRAXPKPK-NVXWUHKLSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc([Si](C)(C)C)cc2)CC[N@H+]1C ZINC001191416163 1100463605 /nfs/dbraw/zinc/46/36/05/1100463605.db2.gz FKDCLTRRAXPKPK-NVXWUHKLSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416163 1100463608 /nfs/dbraw/zinc/46/36/08/1100463608.db2.gz FKDCLTRRAXPKPK-NVXWUHKLSA-N 2 1 304.554 3.146 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([Si](C)(C)C)cc2)CC[NH+]1C ZINC001191416163 1100463612 /nfs/dbraw/zinc/46/36/12/1100463612.db2.gz FKDCLTRRAXPKPK-NVXWUHKLSA-N 2 1 304.554 3.146 20 0 DGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205569926 1100498307 /nfs/dbraw/zinc/49/83/07/1100498307.db2.gz AKEBAOHNZFAUJJ-AWEZNQCLSA-N 2 1 320.330 3.064 20 0 DGADMP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908499 1100535396 /nfs/dbraw/zinc/53/53/96/1100535396.db2.gz BYJJLLOYKJDADC-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001191908499 1100535402 /nfs/dbraw/zinc/53/54/02/1100535402.db2.gz BYJJLLOYKJDADC-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001191908499 1100535404 /nfs/dbraw/zinc/53/54/04/1100535404.db2.gz BYJJLLOYKJDADC-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001191908499 1100535411 /nfs/dbraw/zinc/53/54/11/1100535411.db2.gz BYJJLLOYKJDADC-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC001205602548 1100627368 /nfs/dbraw/zinc/62/73/68/1100627368.db2.gz JLAKXKRDJMUCSP-QWHCGFSZSA-N 2 1 311.267 3.256 20 0 DGADMP CC(C)[C@@H]1CCCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001192652888 1100644536 /nfs/dbraw/zinc/64/45/36/1100644536.db2.gz JBTQQNOXLBYABO-IBGZPJMESA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)cs2)CC[C@@H]1C[NH3+] ZINC001205604711 1100654827 /nfs/dbraw/zinc/65/48/27/1100654827.db2.gz WAJMXXCGUBOWKG-WDEREUQCSA-N 2 1 317.296 3.317 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC001192868290 1100668816 /nfs/dbraw/zinc/66/88/16/1100668816.db2.gz GDGFWIXTSWSQAL-RTBURBONSA-N 2 1 306.494 3.409 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2(O)CCCCCC2)cc1 ZINC001192908915 1100676050 /nfs/dbraw/zinc/67/60/50/1100676050.db2.gz ADWIDKHSCHASJT-UHFFFAOYSA-N 2 1 304.478 3.265 20 0 DGADMP CC(=O)c1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC001239631636 1100707673 /nfs/dbraw/zinc/70/76/73/1100707673.db2.gz MHPNYAYYIRRZHP-UHFFFAOYSA-N 2 1 308.425 3.479 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205627908 1100724682 /nfs/dbraw/zinc/72/46/82/1100724682.db2.gz SUEKBDJWFFRFRC-MNOVXSKESA-N 2 1 302.796 3.425 20 0 DGADMP COc1cc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205653261 1100873024 /nfs/dbraw/zinc/87/30/24/1100873024.db2.gz SIOPAEDUEGRBNQ-VXGBXAGGSA-N 2 1 314.832 3.295 20 0 DGADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001194212699 1100896358 /nfs/dbraw/zinc/89/63/58/1100896358.db2.gz FKSBXCHVOPAKFK-KDURUIRLSA-N 2 1 302.462 3.282 20 0 DGADMP CCOC(=[NH2+])c1cccc(-c2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001240245996 1100907639 /nfs/dbraw/zinc/90/76/39/1100907639.db2.gz DSHJFPVBJUBBKX-UHFFFAOYSA-N 2 1 323.440 3.121 20 0 DGADMP Cc1[nH+]c(-c2ccc(CN3CC[NH+](C)CC3)cc2)cc2[nH]ccc21 ZINC001240395623 1100975549 /nfs/dbraw/zinc/97/55/49/1100975549.db2.gz IDISQQITCNSJSO-UHFFFAOYSA-N 2 1 320.440 3.286 20 0 DGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205671309 1100978378 /nfs/dbraw/zinc/97/83/78/1100978378.db2.gz ACAYUQMLHOGCMW-INIZCTEOSA-N 2 1 322.499 3.152 20 0 DGADMP Nc1cc[nH+]c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc12 ZINC001240477828 1101014681 /nfs/dbraw/zinc/01/46/81/1101014681.db2.gz XCUWIZTZLPBISE-UHFFFAOYSA-N 2 1 319.408 3.316 20 0 DGADMP COc1ccc(C[NH+]2CCCCC2)cc1C1=CC[N@@H+](C)CC1 ZINC001241333786 1101381110 /nfs/dbraw/zinc/38/11/10/1101381110.db2.gz YKNPFHYTBCOOBA-UHFFFAOYSA-N 2 1 300.446 3.400 20 0 DGADMP COc1ccc(C2=CC[N@@H+](C)CC2)c(C[NH+]2CCCCC2)c1 ZINC001241332471 1101381331 /nfs/dbraw/zinc/38/13/31/1101381331.db2.gz IWEUNAQTKLDWNV-UHFFFAOYSA-N 2 1 300.446 3.400 20 0 DGADMP CC[C@@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001196834288 1101401989 /nfs/dbraw/zinc/40/19/89/1101401989.db2.gz YFUVMLILCQAVJW-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc3nc[nH]c3c2)CC1 ZINC001241703395 1101648886 /nfs/dbraw/zinc/64/88/86/1101648886.db2.gz HVHDRWVHWLHNGA-UHFFFAOYSA-N 2 1 320.440 3.401 20 0 DGADMP CC[NH+]1CCN(c2ccc(-c3cc(C)c4[nH+]ccn4c3)cc2)CC1 ZINC001241743310 1101674814 /nfs/dbraw/zinc/67/48/14/1101674814.db2.gz OKUNWGHWKSRDAA-UHFFFAOYSA-N 2 1 320.440 3.452 20 0 DGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197930607 1101705847 /nfs/dbraw/zinc/70/58/47/1101705847.db2.gz RKLAJFXQMFJCPB-AOIWGVFYSA-N 2 1 317.477 3.187 20 0 DGADMP CC(C)([NH3+])c1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241993158 1101841330 /nfs/dbraw/zinc/84/13/30/1101841330.db2.gz FOKAYGWUZOGFMJ-UHFFFAOYSA-N 2 1 310.441 3.380 20 0 DGADMP Cc1cc(N)[nH+]cc1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001242095266 1101908047 /nfs/dbraw/zinc/90/80/47/1101908047.db2.gz DZRLRVKYBUYOMH-QZTJIDSGSA-N 2 1 311.429 3.426 20 0 DGADMP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001198769613 1101980940 /nfs/dbraw/zinc/98/09/40/1101980940.db2.gz MMWABVPGBCSFGP-UHFFFAOYSA-N 2 1 324.350 3.214 20 0 DGADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC001199335964 1102118246 /nfs/dbraw/zinc/11/82/46/1102118246.db2.gz FHMWMGLXAAKUFB-INIZCTEOSA-N 2 1 306.498 3.346 20 0 DGADMP C[C@@H]1CC[N@H+](CCCc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC001205863498 1102121163 /nfs/dbraw/zinc/12/11/63/1102121163.db2.gz YPSXFTIKEIFMHE-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC001205863498 1102121168 /nfs/dbraw/zinc/12/11/68/1102121168.db2.gz YPSXFTIKEIFMHE-DOMZBBRYSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccccc1C(F)(F)F ZINC001205902029 1102404349 /nfs/dbraw/zinc/40/43/49/1102404349.db2.gz GZLUEBYOVKDTOJ-JSGCOSHPSA-N 2 1 300.368 3.307 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Br)c1 ZINC001205904398 1102449534 /nfs/dbraw/zinc/44/95/34/1102449534.db2.gz UVOSGZAOEQJMBG-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Br)c1 ZINC001205904398 1102449542 /nfs/dbraw/zinc/44/95/42/1102449542.db2.gz UVOSGZAOEQJMBG-CHWSQXEVSA-N 2 1 311.267 3.317 20 0 DGADMP CCCCCC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001201118860 1102490956 /nfs/dbraw/zinc/49/09/56/1102490956.db2.gz VUPLGZSHGOHDPZ-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Br ZINC001205916638 1102578968 /nfs/dbraw/zinc/57/89/68/1102578968.db2.gz VEEXXUWLXDMORC-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Br ZINC001205916638 1102578980 /nfs/dbraw/zinc/57/89/80/1102578980.db2.gz VEEXXUWLXDMORC-OLZOCXBDSA-N 2 1 311.267 3.317 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CC=CCC1)[C@@H]2C ZINC001201412827 1102582227 /nfs/dbraw/zinc/58/22/27/1102582227.db2.gz ZEEKYQWARLZGSZ-SJORKVTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CC=CCC1)[C@@H]2C ZINC001201412827 1102582233 /nfs/dbraw/zinc/58/22/33/1102582233.db2.gz ZEEKYQWARLZGSZ-SJORKVTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H]1CC=CCC1)[C@@H]2C ZINC001201412827 1102582241 /nfs/dbraw/zinc/58/22/41/1102582241.db2.gz ZEEKYQWARLZGSZ-SJORKVTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H]1CC=CCC1)[C@@H]2C ZINC001201412827 1102582248 /nfs/dbraw/zinc/58/22/48/1102582248.db2.gz ZEEKYQWARLZGSZ-SJORKVTESA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CC=CCC1)[C@H]2C ZINC001201412826 1102582492 /nfs/dbraw/zinc/58/24/92/1102582492.db2.gz ZEEKYQWARLZGSZ-IRXDYDNUSA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CC=CCC1)[C@H]2C ZINC001201412826 1102582498 /nfs/dbraw/zinc/58/24/98/1102582498.db2.gz ZEEKYQWARLZGSZ-IRXDYDNUSA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H]1CC=CCC1)[C@H]2C ZINC001201412826 1102582504 /nfs/dbraw/zinc/58/25/04/1102582504.db2.gz ZEEKYQWARLZGSZ-IRXDYDNUSA-N 2 1 316.493 3.456 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H]1CC=CCC1)[C@H]2C ZINC001201412826 1102582511 /nfs/dbraw/zinc/58/25/11/1102582511.db2.gz ZEEKYQWARLZGSZ-IRXDYDNUSA-N 2 1 316.493 3.456 20 0 DGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434081 1102599160 /nfs/dbraw/zinc/59/91/60/1102599160.db2.gz AUDNJYUBDPNJNH-MRXNPFEDSA-N 2 1 320.477 3.381 20 0 DGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201487909 1102610329 /nfs/dbraw/zinc/61/03/29/1102610329.db2.gz UXRJBNYYZSFWEF-CEXWTWQISA-N 2 1 307.526 3.079 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201508731 1102617658 /nfs/dbraw/zinc/61/76/58/1102617658.db2.gz IZHKEXYNQKYZPT-QGZVFWFLSA-N 2 1 301.478 3.416 20 0 DGADMP CC(C)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201471242 1102623277 /nfs/dbraw/zinc/62/32/77/1102623277.db2.gz RJNQRQBZEKGMGN-QGZVFWFLSA-N 2 1 323.431 3.271 20 0 DGADMP CC(C)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201471242 1102623280 /nfs/dbraw/zinc/62/32/80/1102623280.db2.gz RJNQRQBZEKGMGN-QGZVFWFLSA-N 2 1 323.431 3.271 20 0 DGADMP CC(C)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201471242 1102623283 /nfs/dbraw/zinc/62/32/83/1102623283.db2.gz RJNQRQBZEKGMGN-QGZVFWFLSA-N 2 1 323.431 3.271 20 0 DGADMP CC(C)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201471242 1102623287 /nfs/dbraw/zinc/62/32/87/1102623287.db2.gz RJNQRQBZEKGMGN-QGZVFWFLSA-N 2 1 323.431 3.271 20 0 DGADMP CCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201638063 1102667428 /nfs/dbraw/zinc/66/74/28/1102667428.db2.gz HTCYTZHIEIUDRF-SFHVURJKSA-N 2 1 302.462 3.152 20 0 DGADMP CSCCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201688482 1102705215 /nfs/dbraw/zinc/70/52/15/1102705215.db2.gz LVVKVSSNEBUFGE-UHFFFAOYSA-N 2 1 308.491 3.321 20 0 DGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC001201741225 1102710119 /nfs/dbraw/zinc/71/01/19/1102710119.db2.gz FCVLXXFXBRHTMS-AEFFLSMTSA-N 2 1 305.466 3.221 20 0 DGADMP CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC001201741228 1102710993 /nfs/dbraw/zinc/71/09/93/1102710993.db2.gz FCVLXXFXBRHTMS-FUHWJXTLSA-N 2 1 305.466 3.221 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201746623 1102711873 /nfs/dbraw/zinc/71/18/73/1102711873.db2.gz LZNBBRACYAZFLO-RTBURBONSA-N 2 1 308.510 3.247 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201751919 1102714267 /nfs/dbraw/zinc/71/42/67/1102714267.db2.gz YOPWPGNYYNEONU-MOPGFXCFSA-N 2 1 308.510 3.247 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201751919 1102714274 /nfs/dbraw/zinc/71/42/74/1102714274.db2.gz YOPWPGNYYNEONU-MOPGFXCFSA-N 2 1 308.510 3.247 20 0 DGADMP CCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201751919 1102714282 /nfs/dbraw/zinc/71/42/82/1102714282.db2.gz YOPWPGNYYNEONU-MOPGFXCFSA-N 2 1 308.510 3.247 20 0 DGADMP C/C=C/C[C@@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001202100737 1102830673 /nfs/dbraw/zinc/83/06/73/1102830673.db2.gz AMFJEKCAKCYPCI-QWNKOJSDSA-N 2 1 304.478 3.061 20 0 DGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001202077554 1102838654 /nfs/dbraw/zinc/83/86/54/1102838654.db2.gz IZPPLQVZVXHKDL-HUUCEWRRSA-N 2 1 307.507 3.476 20 0 DGADMP CCOC(=[NH2+])c1ccc(-c2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001243670370 1102904036 /nfs/dbraw/zinc/90/40/36/1102904036.db2.gz CFIBIKFKHNIEEH-UHFFFAOYSA-N 2 1 323.440 3.467 20 0 DGADMP FC(F)(F)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001202356021 1102956120 /nfs/dbraw/zinc/95/61/20/1102956120.db2.gz HZSFQSKOPSJSAX-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP FC(F)(F)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202356021 1102956128 /nfs/dbraw/zinc/95/61/28/1102956128.db2.gz HZSFQSKOPSJSAX-JKSUJKDBSA-N 2 1 312.379 3.393 20 0 DGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC001325743422 1103113783 /nfs/dbraw/zinc/11/37/83/1103113783.db2.gz NAQYQUOLVBSSML-UWVGGRQHSA-N 2 1 303.219 3.237 20 0 DGADMP CCOc1ccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cc1OC ZINC001326309827 1103266468 /nfs/dbraw/zinc/26/64/68/1103266468.db2.gz REUUCUKWSSGXRO-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]C[C@H]2CCCS2)cc1 ZINC001326406541 1103302088 /nfs/dbraw/zinc/30/20/88/1103302088.db2.gz LIXLCVLMOOXSDO-MHYDHLEJSA-N 2 1 316.514 3.382 20 0 DGADMP CCCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC1 ZINC001326845269 1103461310 /nfs/dbraw/zinc/46/13/10/1103461310.db2.gz JNPDIONSBWJXCE-UHFFFAOYSA-N 2 1 323.525 3.068 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001327977089 1103788481 /nfs/dbraw/zinc/78/84/81/1103788481.db2.gz FLCGKUZOKCRHKX-CVEARBPZSA-N 2 1 323.868 3.131 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001327977092 1103788692 /nfs/dbraw/zinc/78/86/92/1103788692.db2.gz FLCGKUZOKCRHKX-JKSUJKDBSA-N 2 1 323.868 3.131 20 0 DGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001202497403 1103811276 /nfs/dbraw/zinc/81/12/76/1103811276.db2.gz CUZXPHVMWHZLGE-KNTRFNDTSA-N 2 1 314.473 3.133 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001202497403 1103811291 /nfs/dbraw/zinc/81/12/91/1103811291.db2.gz CUZXPHVMWHZLGE-KNTRFNDTSA-N 2 1 314.473 3.133 20 0 DGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001202497403 1103811308 /nfs/dbraw/zinc/81/13/08/1103811308.db2.gz CUZXPHVMWHZLGE-KNTRFNDTSA-N 2 1 314.473 3.133 20 0 DGADMP C(C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)C1CCOCC1 ZINC001202637394 1104094848 /nfs/dbraw/zinc/09/48/48/1104094848.db2.gz KZGPFRPTBKDLEM-UHFFFAOYSA-N 2 1 306.494 3.144 20 0 DGADMP Cc1[nH+]ccn1-c1cncc(-c2ccc(C3CC[NH2+]CC3)cc2)n1 ZINC001245523809 1104103388 /nfs/dbraw/zinc/10/33/88/1104103388.db2.gz FXOTWRYETINNKX-UHFFFAOYSA-N 2 1 319.412 3.105 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(CC)CCOCC2)c1 ZINC001649170930 1104162630 /nfs/dbraw/zinc/16/26/30/1104162630.db2.gz HTCZSNKTKHXYFE-UHFFFAOYSA-N 2 1 304.478 3.435 20 0 DGADMP CCc1cnc(CNCc2cccc(C[N@H+](C)CC)c2)s1 ZINC001649171664 1104164495 /nfs/dbraw/zinc/16/44/95/1104164495.db2.gz SYBKUVUOKOIHCQ-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP CCc1cnc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)s1 ZINC001649171664 1104164499 /nfs/dbraw/zinc/16/44/99/1104164499.db2.gz SYBKUVUOKOIHCQ-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP CCc1cnc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)s1 ZINC001649171664 1104164507 /nfs/dbraw/zinc/16/45/07/1104164507.db2.gz SYBKUVUOKOIHCQ-UHFFFAOYSA-N 2 1 303.475 3.447 20 0 DGADMP Cc1cn2cc(Nc3cccc(OCC[NH+](C)C)c3)ccc2[nH+]1 ZINC001212804746 1104170278 /nfs/dbraw/zinc/17/02/78/1104170278.db2.gz BXNRMZYPLUZUJT-UHFFFAOYSA-N 2 1 310.401 3.327 20 0 DGADMP Brc1cscc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001202750110 1104204107 /nfs/dbraw/zinc/20/41/07/1104204107.db2.gz NXGHJVFZGWNABS-UHFFFAOYSA-N 2 1 322.231 3.448 20 0 DGADMP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc3cncn3c2)CC1 ZINC001245897417 1104294644 /nfs/dbraw/zinc/29/46/44/1104294644.db2.gz RKXWTLVDVAYMGD-UHFFFAOYSA-N 2 1 320.440 3.172 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C[C@H](C)[NH2+]1 ZINC001246077197 1104371103 /nfs/dbraw/zinc/37/11/03/1104371103.db2.gz RCCLFRHDCATBQW-PEGIJTEDSA-N 2 1 315.230 3.207 20 0 DGADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[NH2+]1 ZINC001245981841 1104344946 /nfs/dbraw/zinc/34/49/46/1104344946.db2.gz NAMPKPWDRRHSED-AEFFLSMTSA-N 2 1 324.896 3.001 20 0 DGADMP CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246055862 1104359848 /nfs/dbraw/zinc/35/98/48/1104359848.db2.gz PGLLHPMDFXRNCO-BQFCYCMXSA-N 2 1 322.468 3.305 20 0 DGADMP CCCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246054250 1104360891 /nfs/dbraw/zinc/36/08/91/1104360891.db2.gz XWTQRBOREUAQCF-LJQANCHMSA-N 2 1 322.468 3.178 20 0 DGADMP CCCC[C@H](O)C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001246065387 1104363969 /nfs/dbraw/zinc/36/39/69/1104363969.db2.gz OBMITVJPVXCSEZ-ACBHZAAOSA-N 2 1 304.478 3.310 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)cc(OC)c1 ZINC001246071763 1104364857 /nfs/dbraw/zinc/36/48/57/1104364857.db2.gz DTXKRSSTQIMVRT-INIZCTEOSA-N 2 1 318.461 3.248 20 0 DGADMP c1ccc(C[NH+]2CCC(CC[NH2+][C@H]3CCCCNC3)CC2)cc1 ZINC001246073424 1104366760 /nfs/dbraw/zinc/36/67/60/1104366760.db2.gz VRLWBUIBIVBFRK-FQEVSTJZSA-N 2 1 315.505 3.020 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246074993 1104369682 /nfs/dbraw/zinc/36/96/82/1104369682.db2.gz RZURGYOJQHJWAD-LNLFQRSKSA-N 2 1 319.468 3.001 20 0 DGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC001246075720 1104369887 /nfs/dbraw/zinc/36/98/87/1104369887.db2.gz KRRRPHNVNUJSLP-NWDGAFQWSA-N 2 1 315.230 3.208 20 0 DGADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC001246081920 1104376826 /nfs/dbraw/zinc/37/68/26/1104376826.db2.gz SNRFOMLKWKQQTN-GFCCVEGCSA-N 2 1 302.340 3.205 20 0 DGADMP C[C@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[NH2+]1 ZINC001246086324 1104377622 /nfs/dbraw/zinc/37/76/22/1104377622.db2.gz UCJOWVOESJBYJF-WDSOQIARSA-N 2 1 315.505 3.160 20 0 DGADMP C(CC[NH+]1CCNCC1)C[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246088929 1104378717 /nfs/dbraw/zinc/37/87/17/1104378717.db2.gz MTIFTXWZLHDMLD-GOSISDBHSA-N 2 1 307.526 3.155 20 0 DGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1F ZINC001246092355 1104379715 /nfs/dbraw/zinc/37/97/15/1104379715.db2.gz AOSDRRAZVZDRHE-SJORKVTESA-N 2 1 316.395 3.418 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246094360 1104382079 /nfs/dbraw/zinc/38/20/79/1104382079.db2.gz FETIUFKVZIRODO-NEWSRXKRSA-N 2 1 315.505 3.017 20 0 DGADMP c1ccc(COc2ccc3c(c2)C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CC3)cc1 ZINC001246113509 1104392176 /nfs/dbraw/zinc/39/21/76/1104392176.db2.gz BRVCXEWYCDLWPR-PMACEKPBSA-N 2 1 322.452 3.074 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114297 1104392739 /nfs/dbraw/zinc/39/27/39/1104392739.db2.gz VWKNHPJOASTBEH-SXLOBPIMSA-N 2 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246114297 1104392750 /nfs/dbraw/zinc/39/27/50/1104392750.db2.gz VWKNHPJOASTBEH-SXLOBPIMSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246114297 1104392758 /nfs/dbraw/zinc/39/27/58/1104392758.db2.gz VWKNHPJOASTBEH-SXLOBPIMSA-N 3 1 315.505 3.019 20 0 DGADMP C[NH2+]CC[C@@H](C)[NH2+]C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001246116333 1104394004 /nfs/dbraw/zinc/39/40/04/1104394004.db2.gz YZJSPYKSABFIQZ-QGZVFWFLSA-N 2 1 323.484 3.048 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3c[nH]nc32)cc1 ZINC001329821962 1104394405 /nfs/dbraw/zinc/39/44/05/1104394405.db2.gz AANWZIUXLUPTPS-UHFFFAOYSA-N 2 1 308.429 3.257 20 0 DGADMP CCOC(=O)C[C@@]1([NH2+]C2CCC(C(C)(C)CC)CC2)CC[NH2+]C1 ZINC001246128151 1104398915 /nfs/dbraw/zinc/39/89/15/1104398915.db2.gz MUOLALVHZWGHMU-RJYAGPCLSA-N 2 1 324.509 3.256 20 0 DGADMP c1ccc([C@@H]2[NH2+]CC[C@H]2N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001246144150 1104404587 /nfs/dbraw/zinc/40/45/87/1104404587.db2.gz SANBQULZAWCREI-RLLQIKCJSA-N 2 1 313.489 3.086 20 0 DGADMP C[C@@H]1CC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H](C)[NH2+]1 ZINC001246158802 1104409719 /nfs/dbraw/zinc/40/97/19/1104409719.db2.gz MDDKJPARMQQHKY-NXEZZACHSA-N 2 1 304.331 3.463 20 0 DGADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCCC[C@@]34C[NH2+]CCO4)C2)cc1 ZINC001246162442 1104411662 /nfs/dbraw/zinc/41/16/62/1104411662.db2.gz YEZLEWNQDQRNDG-UAFMIMERSA-N 2 1 314.473 3.214 20 0 DGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC001246164576 1104413027 /nfs/dbraw/zinc/41/30/27/1104413027.db2.gz XGNJGTRVORGYTJ-BXUZGUMPSA-N 2 1 300.368 3.360 20 0 DGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246167289 1104415802 /nfs/dbraw/zinc/41/58/02/1104415802.db2.gz ZBGWHNCQVQKDLK-PCODUJHASA-N 3 1 319.468 3.034 20 0 DGADMP Brc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC001246171013 1104417012 /nfs/dbraw/zinc/41/70/12/1104417012.db2.gz VNDRBZANJGDRAO-HZPDHXFCSA-N 2 1 323.278 3.038 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCCCCC2)CC[NH2+]1 ZINC001246178981 1104423922 /nfs/dbraw/zinc/42/39/22/1104423922.db2.gz BWJAJCVRMBVUSV-AEFFLSMTSA-N 2 1 301.478 3.297 20 0 DGADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246180532 1104424873 /nfs/dbraw/zinc/42/48/73/1104424873.db2.gz LANDMJWCDXDEPX-QQXMDYFESA-N 2 1 315.505 3.288 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccccc1 ZINC001246190441 1104430464 /nfs/dbraw/zinc/43/04/64/1104430464.db2.gz NGLUWZHBINNPGK-KURKYZTESA-N 2 1 303.494 3.046 20 0 DGADMP C[C@]1([NH2+][C@@H]2CCc3cccc(Br)c3C2)CCC[NH2+]C1 ZINC001246188622 1104430550 /nfs/dbraw/zinc/43/05/50/1104430550.db2.gz JXGHTWYPUSJDPZ-CJNGLKHVSA-N 2 1 323.278 3.038 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001246207036 1104436917 /nfs/dbraw/zinc/43/69/17/1104436917.db2.gz MPXKYKQKQCMRLX-KKUMJFAQSA-N 2 1 312.498 3.240 20 0 DGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246218770 1104441898 /nfs/dbraw/zinc/44/18/98/1104441898.db2.gz DMMYOJBNWMSBGX-YOEHRIQHSA-N 2 1 310.432 3.405 20 0 DGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246226167 1104446368 /nfs/dbraw/zinc/44/63/68/1104446368.db2.gz FUFYBRGSFDGYPP-QWHCGFSZSA-N 2 1 314.807 3.032 20 0 DGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246235547 1104451049 /nfs/dbraw/zinc/45/10/49/1104451049.db2.gz YLSNOKJVOVMCKI-UKRRQHHQSA-N 2 1 314.807 3.032 20 0 DGADMP Oc1cccc(-c2ccc([C@H]3C[C@@H]3[NH2+][C@@H]3CCCNC3)cc2)c1 ZINC001246293410 1104475354 /nfs/dbraw/zinc/47/53/54/1104475354.db2.gz ZPUROMKWKDCFGJ-RLLQIKCJSA-N 2 1 308.425 3.257 20 0 DGADMP CCC[C@H]([NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246294134 1104477360 /nfs/dbraw/zinc/47/73/60/1104477360.db2.gz LXYIADZSWGFFSI-RLFYNMQTSA-N 2 1 310.482 3.009 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298373 1104478471 /nfs/dbraw/zinc/47/84/71/1104478471.db2.gz AIFXVDYXWQSCJA-OTWHNJEPSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001246298373 1104478473 /nfs/dbraw/zinc/47/84/73/1104478473.db2.gz AIFXVDYXWQSCJA-OTWHNJEPSA-N 2 1 315.505 3.017 20 0 DGADMP CC[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300356 1104479540 /nfs/dbraw/zinc/47/95/40/1104479540.db2.gz RFMSAUMFPMZQQH-IYWMVGAKSA-N 2 1 315.505 3.160 20 0 DGADMP CC[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246300356 1104479546 /nfs/dbraw/zinc/47/95/46/1104479546.db2.gz RFMSAUMFPMZQQH-IYWMVGAKSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@@H]2C)C[NH2+]1 ZINC001246313452 1104484475 /nfs/dbraw/zinc/48/44/75/1104484475.db2.gz ZLKTXLBONXLIOV-QOHAPJHTSA-N 2 1 321.553 3.285 20 0 DGADMP C[C@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246324286 1104489045 /nfs/dbraw/zinc/48/90/45/1104489045.db2.gz GNHJPPIAFVUSFB-NEWSRXKRSA-N 2 1 315.505 3.160 20 0 DGADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001246334128 1104495809 /nfs/dbraw/zinc/49/58/09/1104495809.db2.gz YUZLKPIXVOOMGJ-BHIYHBOVSA-N 2 1 315.505 3.017 20 0 DGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246333977 1104495845 /nfs/dbraw/zinc/49/58/45/1104495845.db2.gz SYZOAZRERYPYLA-QZTJIDSGSA-N 2 1 303.494 3.003 20 0 DGADMP CCOC(=O)c1csc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246346480 1104500269 /nfs/dbraw/zinc/50/02/69/1104500269.db2.gz MDHLJUFDGPRFCJ-HIFRSBDPSA-N 2 1 324.490 3.181 20 0 DGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246353232 1104504037 /nfs/dbraw/zinc/50/40/37/1104504037.db2.gz YNJQZMYOKDKBBD-OUTPDUCRSA-N 2 1 314.807 3.422 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246359267 1104506069 /nfs/dbraw/zinc/50/60/69/1104506069.db2.gz AEDIKSAATZNWPF-OALUTQOASA-N 2 1 319.537 3.295 20 0 DGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246360730 1104507955 /nfs/dbraw/zinc/50/79/55/1104507955.db2.gz JCZKSZKGDJQFGS-GPJFCIFZSA-N 3 1 319.537 3.153 20 0 DGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246360730 1104507964 /nfs/dbraw/zinc/50/79/64/1104507964.db2.gz JCZKSZKGDJQFGS-GPJFCIFZSA-N 3 1 319.537 3.153 20 0 DGADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246363057 1104510295 /nfs/dbraw/zinc/51/02/95/1104510295.db2.gz OTIDGVLGMVAAOU-IAGOWNOFSA-N 2 1 318.461 3.120 20 0 DGADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246365673 1104511475 /nfs/dbraw/zinc/51/14/75/1104511475.db2.gz ZLPKEQILPLQCBZ-QYZOEREBSA-N 2 1 315.505 3.190 20 0 DGADMP O[C@@H](c1ccccc1)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246366084 1104511792 /nfs/dbraw/zinc/51/17/92/1104511792.db2.gz QGVZCACZCOEKBM-CADMSHOASA-N 2 1 322.452 3.334 20 0 DGADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246369202 1104513862 /nfs/dbraw/zinc/51/38/62/1104513862.db2.gz YCHDJGPBXCVWEB-LDTOTXGLSA-N 2 1 310.441 3.191 20 0 DGADMP C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C[NH2+]1 ZINC001246396325 1104525380 /nfs/dbraw/zinc/52/53/80/1104525380.db2.gz YKQXZWGFOCQJEF-GJZGRUSLSA-N 2 1 322.880 3.118 20 0 DGADMP C[C@@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396028 1104525857 /nfs/dbraw/zinc/52/58/57/1104525857.db2.gz AOABLKFTMIHZTI-AXUOBQJMSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246396028 1104525862 /nfs/dbraw/zinc/52/58/62/1104525862.db2.gz AOABLKFTMIHZTI-AXUOBQJMSA-N 3 1 319.468 3.038 20 0 DGADMP CC1CCC([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246403101 1104527053 /nfs/dbraw/zinc/52/70/53/1104527053.db2.gz ADZGDEYFWOYVRF-VJFUWPCTSA-N 2 1 318.461 3.006 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402190 1104527211 /nfs/dbraw/zinc/52/72/11/1104527211.db2.gz KMUVPPVQCMXNER-VDHUWJSZSA-N 3 1 319.468 3.038 20 0 DGADMP C[C@@H]1C[C@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246402190 1104527218 /nfs/dbraw/zinc/52/72/18/1104527218.db2.gz KMUVPPVQCMXNER-VDHUWJSZSA-N 2 1 319.468 3.038 20 0 DGADMP CC[C@H](CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246401980 1104527360 /nfs/dbraw/zinc/52/73/60/1104527360.db2.gz RDUUOXQEKWHMAJ-MSOLQXFVSA-N 2 1 320.477 3.252 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cncc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC001246400191 1104528053 /nfs/dbraw/zinc/52/80/53/1104528053.db2.gz NBWWQJAGEYQFHR-ONERCXAPSA-N 2 1 313.367 3.282 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3cc(C(F)(F)F)ccc32)CC[NH2+]1 ZINC001246410443 1104531495 /nfs/dbraw/zinc/53/14/95/1104531495.db2.gz JPXIUZYESSLXKZ-QKCSRTOESA-N 2 1 314.351 3.259 20 0 DGADMP COc1ccc(CC2(C[NH2+][C@H]3CC[C@H](C)[NH2+]C3)CCC2)cc1 ZINC001246429673 1104535594 /nfs/dbraw/zinc/53/55/94/1104535594.db2.gz CJPPVZMRCUZEGX-RDJZCZTQSA-N 2 1 302.462 3.138 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CCC2)c1 ZINC001246429559 1104536365 /nfs/dbraw/zinc/53/63/65/1104536365.db2.gz AIJPGWCFGHBPHQ-NVXWUHKLSA-N 2 1 302.462 3.138 20 0 DGADMP COc1ccccc1CC1(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246437222 1104540027 /nfs/dbraw/zinc/54/00/27/1104540027.db2.gz UBKATNIYDJCWCZ-RDJZCZTQSA-N 2 1 302.462 3.138 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444638 1104541854 /nfs/dbraw/zinc/54/18/54/1104541854.db2.gz YMHBJALHJKYGSB-QZHFEQFPSA-N 2 1 319.468 3.038 20 0 DGADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246442358 1104542025 /nfs/dbraw/zinc/54/20/25/1104542025.db2.gz NMCSNPLCFYCGBG-VBSBHUPXSA-N 2 1 315.505 3.207 20 0 DGADMP C(C1CCC1)C1([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246445737 1104542436 /nfs/dbraw/zinc/54/24/36/1104542436.db2.gz HOWSPKSHLRIZIM-GOSISDBHSA-N 3 1 319.537 3.343 20 0 DGADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@H](C)NC2)cc1 ZINC001246451217 1104544139 /nfs/dbraw/zinc/54/41/39/1104544139.db2.gz ZJEAADJOVONBBE-LEAZDLGRSA-N 2 1 315.505 3.207 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CC[C@H](C)NC2)cc1 ZINC001246451217 1104544146 /nfs/dbraw/zinc/54/41/46/1104544146.db2.gz ZJEAADJOVONBBE-LEAZDLGRSA-N 2 1 315.505 3.207 20 0 DGADMP CC[C@@]1([NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]C1 ZINC001246460762 1104547651 /nfs/dbraw/zinc/54/76/51/1104547651.db2.gz NCPHPWVUXNTGCN-IUODEOHRSA-N 2 1 316.367 3.248 20 0 DGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCCCCCC(=O)OC ZINC001274950793 1104553686 /nfs/dbraw/zinc/55/36/86/1104553686.db2.gz KUORSUPSCBNVFR-AYHJJNSGSA-N 2 1 324.509 3.495 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCCCC2)C[NH2+]1 ZINC001246476548 1104559432 /nfs/dbraw/zinc/55/94/32/1104559432.db2.gz XMQUCCQRXWSUAV-CABCVRRESA-N 2 1 310.482 3.009 20 0 DGADMP Cc1cccc2c1CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]CC1(F)F)C2 ZINC001246487308 1104560379 /nfs/dbraw/zinc/56/03/79/1104560379.db2.gz LEEBCACUGZQJHQ-HZPDHXFCSA-N 2 1 308.416 3.077 20 0 DGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CC[NH2+]CC1(F)F)CC2 ZINC001246493290 1104564257 /nfs/dbraw/zinc/56/42/57/1104564257.db2.gz YAHJWHXPLIRKOB-SJORKVTESA-N 2 1 308.416 3.077 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246503844 1104568374 /nfs/dbraw/zinc/56/83/74/1104568374.db2.gz MXLSQZMVXOWATI-CABCVRRESA-N 2 1 300.487 3.240 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccc(Br)cc2)CN1 ZINC001246511734 1104570965 /nfs/dbraw/zinc/57/09/65/1104570965.db2.gz CVQKZKLFTALWGU-AQNFWKISSA-N 2 1 309.251 3.035 20 0 DGADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246521769 1104575550 /nfs/dbraw/zinc/57/55/50/1104575550.db2.gz FEIHXFMVBAGCQY-QGZVFWFLSA-N 2 1 304.865 3.273 20 0 DGADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246521755 1104576359 /nfs/dbraw/zinc/57/63/59/1104576359.db2.gz DYBHGJQGMSVFQP-MRXNPFEDSA-N 2 1 302.437 3.149 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246525655 1104577829 /nfs/dbraw/zinc/57/78/29/1104577829.db2.gz ZVEIPMQIWJMURR-INIZCTEOSA-N 2 1 320.427 3.288 20 0 DGADMP CCCC[C@@H]1C[C@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246529027 1104579311 /nfs/dbraw/zinc/57/93/11/1104579311.db2.gz QACFGVMTQXHIPB-VAMGGRTRSA-N 2 1 315.505 3.286 20 0 DGADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C)cc3)CC2)CC[NH2+]1 ZINC001246529928 1104580267 /nfs/dbraw/zinc/58/02/67/1104580267.db2.gz LIETWPURBIWTSJ-UYAOXDASSA-N 2 1 315.505 3.428 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+](C2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001246535328 1104581066 /nfs/dbraw/zinc/58/10/66/1104581066.db2.gz XMXFKKUEHYOGDP-HUUCEWRRSA-N 2 1 321.896 3.299 20 0 DGADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246539572 1104583210 /nfs/dbraw/zinc/58/32/10/1104583210.db2.gz RLIHIKMLITZUBQ-IZZQQSIFSA-N 2 1 319.468 3.257 20 0 DGADMP C[C@@H]1C[C@@H](N2CCC[C@](C)([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246538219 1104583719 /nfs/dbraw/zinc/58/37/19/1104583719.db2.gz HIXJLSYKPSKEQG-HNJRGHQBSA-N 2 1 315.505 3.241 20 0 DGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@H]([NH3+])CC1)CC2 ZINC001246538494 1104583970 /nfs/dbraw/zinc/58/39/70/1104583970.db2.gz CERJUDWBIDXLNP-QWHCGFSZSA-N 2 1 308.853 3.019 20 0 DGADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246542145 1104585702 /nfs/dbraw/zinc/58/57/02/1104585702.db2.gz WOFDPXRXLQFLNP-GFCCVEGCSA-N 2 1 317.285 3.273 20 0 DGADMP [NH3+][C@@H]1CCC[N@H+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001246540258 1104586055 /nfs/dbraw/zinc/58/60/55/1104586055.db2.gz FYKRWUKNHXUEFD-LMDPOFIKSA-N 2 1 302.462 3.328 20 0 DGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246547678 1104588635 /nfs/dbraw/zinc/58/86/35/1104588635.db2.gz MCSCHWZPUYLZJW-SGMGOOAPSA-N 2 1 316.367 3.043 20 0 DGADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001275038221 1104589609 /nfs/dbraw/zinc/58/96/09/1104589609.db2.gz AUOKNDKJFDRPPN-HXUWFJFHSA-N 2 1 321.553 3.306 20 0 DGADMP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)cn1 ZINC001275039628 1104590059 /nfs/dbraw/zinc/59/00/59/1104590059.db2.gz PSDMKFFOJWUFQI-YQQQUEKLSA-N 2 1 316.493 3.048 20 0 DGADMP C1=CC[C@@H](C[N@@H+]2CCC[C@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040956 1104590652 /nfs/dbraw/zinc/59/06/52/1104590652.db2.gz XGSTZYRKNKFHKM-UYAOXDASSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@@H](C[N@H+]2CCC[C@]3(C[NH+](C4CCCC4)CCO3)C2)CC1 ZINC001275040956 1104590657 /nfs/dbraw/zinc/59/06/57/1104590657.db2.gz XGSTZYRKNKFHKM-UYAOXDASSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@@H](C[NH+]2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001275040956 1104590663 /nfs/dbraw/zinc/59/06/63/1104590663.db2.gz XGSTZYRKNKFHKM-UYAOXDASSA-N 2 1 318.505 3.452 20 0 DGADMP C1=CC[C@@H](C[NH+]2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001275040956 1104590668 /nfs/dbraw/zinc/59/06/68/1104590668.db2.gz XGSTZYRKNKFHKM-UYAOXDASSA-N 2 1 318.505 3.452 20 0 DGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@](C)([NH3+])CC1)CC2 ZINC001246553019 1104591298 /nfs/dbraw/zinc/59/12/98/1104591298.db2.gz QMWJOTGBTOQGRN-UGSOOPFHSA-N 2 1 322.880 3.409 20 0 DGADMP C[C@@H]1C[C@@H](N2CC[NH2+]CC[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246553676 1104593771 /nfs/dbraw/zinc/59/37/71/1104593771.db2.gz UEIDKFBJQMXNFY-GNBUJSLZSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560508 1104595279 /nfs/dbraw/zinc/59/52/79/1104595279.db2.gz VDNIEWFYOSSPNK-AAEUAGOBSA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560508 1104595288 /nfs/dbraw/zinc/59/52/88/1104595288.db2.gz VDNIEWFYOSSPNK-AAEUAGOBSA-N 2 1 302.796 3.187 20 0 DGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC[C@H]1C[NH3+] ZINC001246558066 1104596306 /nfs/dbraw/zinc/59/63/06/1104596306.db2.gz MAUIDBLLLZAVKG-WWGRRREGSA-N 2 1 308.416 3.129 20 0 DGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CCC[C@H]1C[NH3+] ZINC001246567494 1104599367 /nfs/dbraw/zinc/59/93/67/1104599367.db2.gz LAZXHZCPGIOVNR-WWGRRREGSA-N 2 1 308.416 3.129 20 0 DGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246578414 1104603473 /nfs/dbraw/zinc/60/34/73/1104603473.db2.gz QYDMKZFUPSFOGZ-LPHOPBHVSA-N 2 1 318.461 3.187 20 0 DGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001246581706 1104603540 /nfs/dbraw/zinc/60/35/40/1104603540.db2.gz ABFDVDSRICCRDQ-MAUKXSAKSA-N 2 1 308.416 3.273 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580979 1104604858 /nfs/dbraw/zinc/60/48/58/1104604858.db2.gz OXUXXLAOZOSTMN-PBHICJAKSA-N 2 1 310.844 3.350 20 0 DGADMP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246580979 1104604865 /nfs/dbraw/zinc/60/48/65/1104604865.db2.gz OXUXXLAOZOSTMN-PBHICJAKSA-N 2 1 310.844 3.350 20 0 DGADMP CC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001275066566 1104605636 /nfs/dbraw/zinc/60/56/36/1104605636.db2.gz YILNUERPUIUYQZ-MRXNPFEDSA-N 2 1 318.509 3.063 20 0 DGADMP C[C@@H]1C[NH2+]C[C@H](C)N1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246584986 1104606525 /nfs/dbraw/zinc/60/65/25/1104606525.db2.gz CPQIIFCMNSYINF-SCTDSRPQSA-N 2 1 315.505 3.112 20 0 DGADMP CCC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275074305 1104610519 /nfs/dbraw/zinc/61/05/19/1104610519.db2.gz QKBVXZLUWJBQFJ-AEFFLSMTSA-N 2 1 304.482 3.134 20 0 DGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246595064 1104611615 /nfs/dbraw/zinc/61/16/15/1104611615.db2.gz XLRKVSYNYQDRGJ-FAJBIJEISA-N 2 1 324.509 3.351 20 0 DGADMP CC[C@H]1C[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC[NH2+]1 ZINC001246597320 1104614698 /nfs/dbraw/zinc/61/46/98/1104614698.db2.gz UDSGZTRNAVEOBI-ROUUACIJSA-N 3 1 307.526 3.153 20 0 DGADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600361 1104618512 /nfs/dbraw/zinc/61/85/12/1104618512.db2.gz FQDZRCUTBIXDJH-PKOBYXMFSA-N 2 1 324.509 3.353 20 0 DGADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H](C)CCC=C(C)C)CC[NH2+]CC2 ZINC001246603912 1104620647 /nfs/dbraw/zinc/62/06/47/1104620647.db2.gz PFOWUYKAMRCXSM-IAGOWNOFSA-N 2 1 322.493 3.129 20 0 DGADMP CCCCC[C@H](CC)[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246606964 1104622341 /nfs/dbraw/zinc/62/23/41/1104622341.db2.gz YOVGBAQHBJDIGX-DLBZAZTESA-N 2 1 324.509 3.353 20 0 DGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246605514 1104622954 /nfs/dbraw/zinc/62/29/54/1104622954.db2.gz KSNCZTAQLPMRKK-QFBILLFUSA-N 2 1 302.462 3.234 20 0 DGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001246608720 1104624240 /nfs/dbraw/zinc/62/42/40/1104624240.db2.gz VPCNZVXUSWAENZ-APWZRJJASA-N 2 1 302.462 3.234 20 0 DGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246607637 1104624328 /nfs/dbraw/zinc/62/43/28/1104624328.db2.gz GZZFHESDPMBPJP-QZTJIDSGSA-N 2 1 304.865 3.415 20 0 DGADMP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CC2 ZINC001246608473 1104624351 /nfs/dbraw/zinc/62/43/51/1104624351.db2.gz HEQVFHRJJBSFEX-INIZCTEOSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246610799 1104626222 /nfs/dbraw/zinc/62/62/22/1104626222.db2.gz NVCVDGRSRQPVSH-QFBILLFUSA-N 2 1 320.427 3.288 20 0 DGADMP COc1cc(Cl)cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001275103942 1104627670 /nfs/dbraw/zinc/62/76/70/1104627670.db2.gz VHOPPGZJCMOMJA-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615739 1104629647 /nfs/dbraw/zinc/62/96/47/1104629647.db2.gz SISSOTNWTGTSNI-MOPGFXCFSA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615739 1104629651 /nfs/dbraw/zinc/62/96/51/1104629651.db2.gz SISSOTNWTGTSNI-MOPGFXCFSA-N 2 1 302.437 3.291 20 0 DGADMP CSCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109444 1104630073 /nfs/dbraw/zinc/63/00/73/1104630073.db2.gz FKGHJMGSZNHAQC-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP CSCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109444 1104630075 /nfs/dbraw/zinc/63/00/75/1104630075.db2.gz FKGHJMGSZNHAQC-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP CSCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109444 1104630078 /nfs/dbraw/zinc/63/00/78/1104630078.db2.gz FKGHJMGSZNHAQC-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP CSCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109444 1104630080 /nfs/dbraw/zinc/63/00/80/1104630080.db2.gz FKGHJMGSZNHAQC-QGZVFWFLSA-N 2 1 307.507 3.056 20 0 DGADMP CCC(C)(C)C1CCC([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246620876 1104631436 /nfs/dbraw/zinc/63/14/36/1104631436.db2.gz ZSRBVDFSUXNPDF-FOIPXRHGSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624216 1104632566 /nfs/dbraw/zinc/63/25/66/1104632566.db2.gz OIUHPTGTDLNQIK-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624216 1104632568 /nfs/dbraw/zinc/63/25/68/1104632568.db2.gz OIUHPTGTDLNQIK-IVMMDQJWSA-N 2 1 323.278 3.064 20 0 DGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627462 1104634212 /nfs/dbraw/zinc/63/42/12/1104634212.db2.gz JTICEZUOVJXZHG-YOEHRIQHSA-N 2 1 308.466 3.382 20 0 DGADMP Clc1cccc2c1C[C@@H]([NH+]1CCC3(CCC[NH2+]3)CC1)CC2 ZINC001246626123 1104634476 /nfs/dbraw/zinc/63/44/76/1104634476.db2.gz SVKBGJAAYYPWSM-HNNXBMFYSA-N 2 1 304.865 3.415 20 0 DGADMP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246628450 1104634680 /nfs/dbraw/zinc/63/46/80/1104634680.db2.gz LRNYGYYALBHXIM-MAUKXSAKSA-N 2 1 304.865 3.273 20 0 DGADMP CCCCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C)nn3C)C2)C1 ZINC001275120024 1104634895 /nfs/dbraw/zinc/63/48/95/1104634895.db2.gz AVOBKXFGWPGIHL-LJQANCHMSA-N 2 1 318.509 3.207 20 0 DGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627460 1104634932 /nfs/dbraw/zinc/63/49/32/1104634932.db2.gz JTICEZUOVJXZHG-RHSMWYFYSA-N 2 1 308.466 3.382 20 0 DGADMP CCCCC[NH+]1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275120039 1104634964 /nfs/dbraw/zinc/63/49/64/1104634964.db2.gz BLWMBXOJAYJKLW-IBGZPJMESA-N 2 1 318.509 3.251 20 0 DGADMP CCCCC[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275120039 1104634968 /nfs/dbraw/zinc/63/49/68/1104634968.db2.gz BLWMBXOJAYJKLW-IBGZPJMESA-N 2 1 318.509 3.251 20 0 DGADMP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246630250 1104636005 /nfs/dbraw/zinc/63/60/05/1104636005.db2.gz HYAIHISTXCYAMZ-LPHOPBHVSA-N 2 1 320.427 3.430 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630282 1104637333 /nfs/dbraw/zinc/63/73/33/1104637333.db2.gz ICJBKAYLTPELEO-AABGKKOBSA-N 2 1 313.489 3.088 20 0 DGADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CCN2)cc1 ZINC001246630282 1104637335 /nfs/dbraw/zinc/63/73/35/1104637335.db2.gz ICJBKAYLTPELEO-AABGKKOBSA-N 2 1 313.489 3.088 20 0 DGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246635869 1104638182 /nfs/dbraw/zinc/63/81/82/1104638182.db2.gz AMCSBMQARYXFKY-CYBMUJFWSA-N 2 1 310.844 3.486 20 0 DGADMP c1ccc2c(c1)NC[C@H]1C[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C[C@H]21 ZINC001246635120 1104638949 /nfs/dbraw/zinc/63/89/49/1104638949.db2.gz SBSUHOACGVFSLQ-WBQJQJEBSA-N 2 1 311.473 3.050 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647452 1104645736 /nfs/dbraw/zinc/64/57/36/1104645736.db2.gz SHMIGIUKLQCRQM-MJGOQNOKSA-N 3 1 309.542 3.351 20 0 DGADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C2 ZINC001246647756 1104645824 /nfs/dbraw/zinc/64/58/24/1104645824.db2.gz UBFPDYABSHFVGA-AZUAARDMSA-N 2 1 314.473 3.017 20 0 DGADMP CCOC(=O)CC1CCC([N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001246651541 1104647410 /nfs/dbraw/zinc/64/74/10/1104647410.db2.gz MIBQHUMYHQHJSU-FAFZWHIHSA-N 2 1 322.493 3.107 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650874 1104647888 /nfs/dbraw/zinc/64/78/88/1104647888.db2.gz JLSNDVYLFXSMMX-OALUTQOASA-N 2 1 302.437 3.291 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650874 1104647894 /nfs/dbraw/zinc/64/78/94/1104647894.db2.gz JLSNDVYLFXSMMX-OALUTQOASA-N 2 1 302.437 3.291 20 0 DGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278460092 1104647984 /nfs/dbraw/zinc/64/79/84/1104647984.db2.gz PXSAPIJNKLKBRV-LNLFQRSKSA-N 2 1 323.525 3.020 20 0 DGADMP Cc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001246652986 1104649739 /nfs/dbraw/zinc/64/97/39/1104649739.db2.gz BSWFWVOSVZKLEJ-KBMXLJTQSA-N 2 1 312.379 3.010 20 0 DGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246657772 1104651265 /nfs/dbraw/zinc/65/12/65/1104651265.db2.gz IMFROQYCMLCEPW-XPKDYRNWSA-N 2 1 312.379 3.320 20 0 DGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666236 1104654500 /nfs/dbraw/zinc/65/45/00/1104654500.db2.gz IGMGLPKPJKJOKZ-MGPQQGTHSA-N 2 1 310.894 3.362 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1C[C@@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246672650 1104655903 /nfs/dbraw/zinc/65/59/03/1104655903.db2.gz KFKVMFNXOHIGAY-WOSRLPQWSA-N 2 1 311.256 3.144 20 0 DGADMP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1C[C@@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246672650 1104655908 /nfs/dbraw/zinc/65/59/08/1104655908.db2.gz KFKVMFNXOHIGAY-WOSRLPQWSA-N 2 1 311.256 3.144 20 0 DGADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246673408 1104657211 /nfs/dbraw/zinc/65/72/11/1104657211.db2.gz MJEKQILBBXNMJK-XPKDYRNWSA-N 2 1 323.278 3.064 20 0 DGADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246678585 1104658739 /nfs/dbraw/zinc/65/87/39/1104658739.db2.gz OJWRQUWUWUYZGQ-GGPKGHCWSA-N 2 1 316.464 3.395 20 0 DGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001246679288 1104658900 /nfs/dbraw/zinc/65/89/00/1104658900.db2.gz TUXOMIYVPTUOFL-QXAKKESOSA-N 2 1 316.489 3.338 20 0 DGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246680967 1104659680 /nfs/dbraw/zinc/65/96/80/1104659680.db2.gz YHOZDCMOQCMUCD-STQMWFEESA-N 2 1 310.894 3.362 20 0 DGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(F)(F)F)Cc1ccccc12 ZINC001275162619 1104660040 /nfs/dbraw/zinc/66/00/40/1104660040.db2.gz CWWVNANXRJAEJS-UHFFFAOYSA-N 2 1 312.379 3.418 20 0 DGADMP Fc1cc2c(cc1F)CC([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001246679624 1104660599 /nfs/dbraw/zinc/66/05/99/1104660599.db2.gz WVGGCBUDTPEHPL-KGLIPLIRSA-N 2 1 320.427 3.144 20 0 DGADMP CCSC[C@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246686360 1104661726 /nfs/dbraw/zinc/66/17/26/1104661726.db2.gz RURBLWZABOFLOT-JQHSSLGASA-N 2 1 304.503 3.207 20 0 DGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001246694744 1104663903 /nfs/dbraw/zinc/66/39/03/1104663903.db2.gz SOTZIROHRKSNBJ-OLMNPRSZSA-N 2 1 322.855 3.221 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692836 1104664196 /nfs/dbraw/zinc/66/41/96/1104664196.db2.gz PAUMFCIQRDFPLL-XOKHGSTOSA-N 2 1 310.844 3.295 20 0 DGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692836 1104664197 /nfs/dbraw/zinc/66/41/97/1104664197.db2.gz PAUMFCIQRDFPLL-XOKHGSTOSA-N 2 1 310.844 3.295 20 0 DGADMP C(C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1)C1CCOCC1 ZINC001275175925 1104665219 /nfs/dbraw/zinc/66/52/19/1104665219.db2.gz MTJMPNQQBLRTCP-KDURUIRLSA-N 2 1 320.521 3.390 20 0 DGADMP C(C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1)C1CCOCC1 ZINC001275175925 1104665222 /nfs/dbraw/zinc/66/52/22/1104665222.db2.gz MTJMPNQQBLRTCP-KDURUIRLSA-N 2 1 320.521 3.390 20 0 DGADMP C(C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1)C1CCOCC1 ZINC001275175925 1104665224 /nfs/dbraw/zinc/66/52/24/1104665224.db2.gz MTJMPNQQBLRTCP-KDURUIRLSA-N 2 1 320.521 3.390 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246773531 1104667387 /nfs/dbraw/zinc/66/73/87/1104667387.db2.gz AIROYRVUHSMDGQ-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246773531 1104667395 /nfs/dbraw/zinc/66/73/95/1104667395.db2.gz AIROYRVUHSMDGQ-GXTWGEPZSA-N 2 1 311.267 3.051 20 0 DGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC[NH2+]1 ZINC001246779494 1104669368 /nfs/dbraw/zinc/66/93/68/1104669368.db2.gz IEKVVFBKEPUDDU-OALUTQOASA-N 3 1 309.542 3.349 20 0 DGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246779794 1104670755 /nfs/dbraw/zinc/67/07/55/1104670755.db2.gz JDTUBCSWDMQGSF-IBGZPJMESA-N 3 1 321.553 3.494 20 0 DGADMP CC[C@H]1CC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)[NH2+]1 ZINC001246782824 1104672582 /nfs/dbraw/zinc/67/25/82/1104672582.db2.gz UYDZAGXXCSSYQI-ROUUACIJSA-N 3 1 309.542 3.348 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC[NH2+]1 ZINC001246784516 1104673259 /nfs/dbraw/zinc/67/32/59/1104673259.db2.gz XQLSLGSIRAFMMQ-IXDOHACOSA-N 2 1 318.461 3.069 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785678 1104673828 /nfs/dbraw/zinc/67/38/28/1104673828.db2.gz KWHDTFUBZMXFLL-QRVBRYPASA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC[NH2+]1 ZINC001246785678 1104673830 /nfs/dbraw/zinc/67/38/30/1104673830.db2.gz KWHDTFUBZMXFLL-QRVBRYPASA-N 3 1 321.553 3.494 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784334 1104673850 /nfs/dbraw/zinc/67/38/50/1104673850.db2.gz WXAFHIKCSAJCOL-VYDXJSESSA-N 2 1 324.415 3.195 20 0 DGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC[NH2+]1 ZINC001246784334 1104673853 /nfs/dbraw/zinc/67/38/53/1104673853.db2.gz WXAFHIKCSAJCOL-VYDXJSESSA-N 2 1 324.415 3.195 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246785783 1104673969 /nfs/dbraw/zinc/67/39/69/1104673969.db2.gz MVGBZBKCGKILIM-PKOBYXMFSA-N 2 1 314.473 3.452 20 0 DGADMP c1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246785777 1104674060 /nfs/dbraw/zinc/67/40/60/1104674060.db2.gz MVGBZBKCGKILIM-IEBWSBKVSA-N 2 1 314.473 3.452 20 0 DGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787075 1104675126 /nfs/dbraw/zinc/67/51/26/1104675126.db2.gz QDFKBQATHZNPDQ-UHOSZYNNSA-N 2 1 302.462 3.306 20 0 DGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](Oc3ccccc3C)C2)CC1 ZINC001246788047 1104675209 /nfs/dbraw/zinc/67/52/09/1104675209.db2.gz UCPOMWASPXTNEV-ABHNRTSZSA-N 2 1 302.462 3.369 20 0 DGADMP c1cc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n[nH]1 ZINC001275204675 1104676483 /nfs/dbraw/zinc/67/64/83/1104676483.db2.gz FFBXNOHLRVOUII-UHFFFAOYSA-N 2 1 302.466 3.030 20 0 DGADMP c1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CCO2 ZINC001246789342 1104676546 /nfs/dbraw/zinc/67/65/46/1104676546.db2.gz XROBLRBGFONFAI-QGZVFWFLSA-N 2 1 300.446 3.336 20 0 DGADMP c1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CCO2 ZINC001246789342 1104676547 /nfs/dbraw/zinc/67/65/47/1104676547.db2.gz XROBLRBGFONFAI-QGZVFWFLSA-N 2 1 300.446 3.336 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3C)C2)CC[NH2+]1 ZINC001246788590 1104676642 /nfs/dbraw/zinc/67/66/42/1104676642.db2.gz UIALCULMOPAVFZ-SQNIBIBYSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H]2COCc2ccccc2)CC[NH2+]1 ZINC001246792924 1104677551 /nfs/dbraw/zinc/67/75/51/1104677551.db2.gz SITSKFQEJDOHLL-QRVBRYPASA-N 2 1 316.489 3.444 20 0 DGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246795166 1104679720 /nfs/dbraw/zinc/67/97/20/1104679720.db2.gz IKQKXIWIFBDNST-MRXNPFEDSA-N 2 1 308.416 3.144 20 0 DGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@@H](C[NH3+])C3)ccc2c1 ZINC001246798447 1104681056 /nfs/dbraw/zinc/68/10/56/1104681056.db2.gz SOKPLAYBWXLYCD-RDJZCZTQSA-N 2 1 312.457 3.450 20 0 DGADMP CC[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246803960 1104682024 /nfs/dbraw/zinc/68/20/24/1104682024.db2.gz OQWIYDGSOUUESL-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246801924 1104682058 /nfs/dbraw/zinc/68/20/58/1104682058.db2.gz URFRBMOQQDHFSE-FXAWDEMLSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@H]1C[NH2+]CCN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246802617 1104682115 /nfs/dbraw/zinc/68/21/15/1104682115.db2.gz KQEGMKCBPXEWJC-HNJRGHQBSA-N 2 1 315.505 3.112 20 0 DGADMP c1c[nH]c(C[N@H+]2CCCC3(CC[NH+](Cc4ccco4)CC3)C2)c1 ZINC001275236714 1104685914 /nfs/dbraw/zinc/68/59/14/1104685914.db2.gz YPURJIPFCOBPBS-UHFFFAOYSA-N 2 1 313.445 3.486 20 0 DGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246813339 1104686952 /nfs/dbraw/zinc/68/69/52/1104686952.db2.gz IIVFQOOAIRFHRP-NWDGAFQWSA-N 2 1 301.261 3.466 20 0 DGADMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246814641 1104688313 /nfs/dbraw/zinc/68/83/13/1104688313.db2.gz SDUOSQVXZOEISX-INIZCTEOSA-N 2 1 320.578 3.214 20 0 DGADMP CC1(C)CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC001246814917 1104688433 /nfs/dbraw/zinc/68/84/33/1104688433.db2.gz ADAQBSIAVIVSNC-SFHVURJKSA-N 2 1 315.505 3.113 20 0 DGADMP COc1ccccc1CC[N@@H+](C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246813983 1104688808 /nfs/dbraw/zinc/68/88/08/1104688808.db2.gz NEUMZNZMRKOHDO-WMZOPIPTSA-N 2 1 304.478 3.336 20 0 DGADMP COCCC[N@@H+](C1CC[NH2+]CC1)C1CCc2ccccc2CC1 ZINC001246831627 1104696086 /nfs/dbraw/zinc/69/60/86/1104696086.db2.gz FCBCKZKUJKPPGO-UHFFFAOYSA-N 2 1 316.489 3.025 20 0 DGADMP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1C ZINC001246835951 1104697307 /nfs/dbraw/zinc/69/73/07/1104697307.db2.gz LXOKXCKBOUKYKM-REPLKXPHSA-N 2 1 313.489 3.099 20 0 DGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246838558 1104699550 /nfs/dbraw/zinc/69/95/50/1104699550.db2.gz JEIZCYCNUWXVAE-RBUKOAKNSA-N 2 1 315.505 3.113 20 0 DGADMP CC[C@@H]1C[C@@H](N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246841965 1104701028 /nfs/dbraw/zinc/70/10/28/1104701028.db2.gz SDAHFTVONNKOAL-AABGKKOBSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246841313 1104701117 /nfs/dbraw/zinc/70/11/17/1104701117.db2.gz AQWKLEAYXQEFJL-BZSNNMDCSA-N 2 1 302.462 3.225 20 0 DGADMP C[C@@H]1CC([N@H+]2CCC[C@H](OCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246844389 1104703739 /nfs/dbraw/zinc/70/37/39/1104703739.db2.gz YOGBVFUUCTTYBQ-MDZRGWNJSA-N 2 1 302.462 3.197 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246845481 1104704965 /nfs/dbraw/zinc/70/49/65/1104704965.db2.gz JWPAVZDIPSLYSB-YOEHRIQHSA-N 2 1 304.434 3.014 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246845481 1104704970 /nfs/dbraw/zinc/70/49/70/1104704970.db2.gz JWPAVZDIPSLYSB-YOEHRIQHSA-N 2 1 304.434 3.014 20 0 DGADMP CC[C@@H]1CC([N@H+](C)Cc2ccc3c(c2)OCO3)C[C@@H](CC)[NH2+]1 ZINC001246846076 1104705366 /nfs/dbraw/zinc/70/53/66/1104705366.db2.gz MRWAXIUDVVFGDU-HUUCEWRRSA-N 2 1 304.434 3.156 20 0 DGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccc3c(c2)OCO3)C[C@@H](CC)[NH2+]1 ZINC001246846076 1104705373 /nfs/dbraw/zinc/70/53/73/1104705373.db2.gz MRWAXIUDVVFGDU-HUUCEWRRSA-N 2 1 304.434 3.156 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246847631 1104705585 /nfs/dbraw/zinc/70/55/85/1104705585.db2.gz WGXXCKCWFHVOLO-MSOLQXFVSA-N 2 1 324.424 3.340 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246847631 1104705591 /nfs/dbraw/zinc/70/55/91/1104705591.db2.gz WGXXCKCWFHVOLO-MSOLQXFVSA-N 2 1 324.424 3.340 20 0 DGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC001246845273 1104705753 /nfs/dbraw/zinc/70/57/53/1104705753.db2.gz KVBJJJLKYLLEKC-NQAMIAIDSA-N 2 1 310.485 3.355 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246845564 1104706004 /nfs/dbraw/zinc/70/60/04/1104706004.db2.gz LKDYCNCQNUTFCF-INIZCTEOSA-N 2 1 316.445 3.302 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246845564 1104706013 /nfs/dbraw/zinc/70/60/13/1104706013.db2.gz LKDYCNCQNUTFCF-INIZCTEOSA-N 2 1 316.445 3.302 20 0 DGADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246853953 1104709280 /nfs/dbraw/zinc/70/92/80/1104709280.db2.gz AKOAZGXSZJXYCD-ZIFCJYIRSA-N 2 1 324.509 3.066 20 0 DGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246860148 1104710087 /nfs/dbraw/zinc/71/00/87/1104710087.db2.gz GSYCHXMRQMNJFF-PKOBYXMFSA-N 2 1 304.478 3.336 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866019 1104712205 /nfs/dbraw/zinc/71/22/05/1104712205.db2.gz XXRNBQLCVNJROR-NWDGAFQWSA-N 2 1 301.261 3.466 20 0 DGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC001246866019 1104712213 /nfs/dbraw/zinc/71/22/13/1104712213.db2.gz XXRNBQLCVNJROR-NWDGAFQWSA-N 2 1 301.261 3.466 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001246864210 1104712866 /nfs/dbraw/zinc/71/28/66/1104712866.db2.gz RAZAIZBUBDGIFM-QRQLOZEOSA-N 2 1 315.505 3.099 20 0 DGADMP COc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)C2)cc1 ZINC001246878634 1104718685 /nfs/dbraw/zinc/71/86/85/1104718685.db2.gz SJBFRSJFWFRBLN-LMMKCTJWSA-N 2 1 302.462 3.261 20 0 DGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246885385 1104723482 /nfs/dbraw/zinc/72/34/82/1104723482.db2.gz FFGGZNUNBRPFII-SZMVWBNQSA-N 2 1 304.478 3.335 20 0 DGADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246889903 1104725515 /nfs/dbraw/zinc/72/55/15/1104725515.db2.gz GUXNZQNDYOBOOU-APWZRJJASA-N 2 1 315.505 3.247 20 0 DGADMP CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246890113 1104726266 /nfs/dbraw/zinc/72/62/66/1104726266.db2.gz SBMXXZGLDUOKAR-OALUTQOASA-N 2 1 315.505 3.113 20 0 DGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246899669 1104726962 /nfs/dbraw/zinc/72/69/62/1104726962.db2.gz FQEYPCMUMKGGGL-DYVFJYSZSA-N 2 1 313.470 3.152 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246905674 1104730184 /nfs/dbraw/zinc/73/01/84/1104730184.db2.gz FDJDWGLUSKVIMW-DWRORGKVSA-N 2 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905674 1104730192 /nfs/dbraw/zinc/73/01/92/1104730192.db2.gz FDJDWGLUSKVIMW-DWRORGKVSA-N 3 1 319.468 3.129 20 0 DGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246905674 1104730194 /nfs/dbraw/zinc/73/01/94/1104730194.db2.gz FDJDWGLUSKVIMW-DWRORGKVSA-N 3 1 319.468 3.129 20 0 DGADMP CCC[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC001246903736 1104730440 /nfs/dbraw/zinc/73/04/40/1104730440.db2.gz QEHSYOZNKRCJPK-YZGWKJHDSA-N 2 1 315.505 3.113 20 0 DGADMP Cc1ccc(C[N@H+](C)C2CCC3(CC2)C[NH2+]CCO3)cc1C ZINC001246908736 1104732071 /nfs/dbraw/zinc/73/20/71/1104732071.db2.gz MIQKFQJVOBLEPY-UHFFFAOYSA-N 2 1 302.462 3.036 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246906689 1104732516 /nfs/dbraw/zinc/73/25/16/1104732516.db2.gz RZKFIEFRZDHTJU-RRFJBIMHSA-N 2 1 306.475 3.002 20 0 DGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccnc(Cl)c3F)CC2)C1 ZINC001275359704 1104736757 /nfs/dbraw/zinc/73/67/57/1104736757.db2.gz YYMVHNWEEUXPNN-UHFFFAOYSA-N 2 1 311.832 3.182 20 0 DGADMP CCOC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCCC2(CCCCC2)C1 ZINC001246917712 1104736850 /nfs/dbraw/zinc/73/68/50/1104736850.db2.gz AIKIAUDXROJARM-MRXNPFEDSA-N 2 1 310.482 3.093 20 0 DGADMP CCOC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCCC2(CCCCC2)C1 ZINC001246917712 1104736854 /nfs/dbraw/zinc/73/68/54/1104736854.db2.gz AIKIAUDXROJARM-MRXNPFEDSA-N 2 1 310.482 3.093 20 0 DGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275369468 1104738406 /nfs/dbraw/zinc/73/84/06/1104738406.db2.gz DNBIKRDXLLTJIQ-UHFFFAOYSA-N 2 1 302.462 3.317 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)C2)c1 ZINC001246932236 1104741359 /nfs/dbraw/zinc/74/13/59/1104741359.db2.gz ZGIYAIDQULUGCZ-IAGOWNOFSA-N 2 1 302.462 3.405 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246939125 1104744197 /nfs/dbraw/zinc/74/41/97/1104744197.db2.gz BIWWNMVLICEQRS-QWFCFKBJSA-N 2 1 314.473 3.407 20 0 DGADMP C[NH2+]C[C@H]1CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246936551 1104744406 /nfs/dbraw/zinc/74/44/06/1104744406.db2.gz FCCPHUHBOOGMTA-RTBURBONSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246939918 1104745798 /nfs/dbraw/zinc/74/57/98/1104745798.db2.gz TZJVVJAMWCCVHV-TZMCWYRMSA-N 2 1 316.367 3.200 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001246939918 1104745804 /nfs/dbraw/zinc/74/58/04/1104745804.db2.gz TZJVVJAMWCCVHV-TZMCWYRMSA-N 2 1 316.367 3.200 20 0 DGADMP COc1cccc([C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246940138 1104745882 /nfs/dbraw/zinc/74/58/82/1104745882.db2.gz DFFRKPVWEKZVPR-QZTJIDSGSA-N 2 1 314.473 3.407 20 0 DGADMP CCCCCC[C@H](CCCC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246949005 1104748033 /nfs/dbraw/zinc/74/80/33/1104748033.db2.gz ROTOAKMWZMJZJY-ULQDDVLXSA-N 2 1 312.498 3.338 20 0 DGADMP CCCCCC[C@H](CCCC)[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246949005 1104748037 /nfs/dbraw/zinc/74/80/37/1104748037.db2.gz ROTOAKMWZMJZJY-ULQDDVLXSA-N 2 1 312.498 3.338 20 0 DGADMP CCOCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246948272 1104748426 /nfs/dbraw/zinc/74/84/26/1104748426.db2.gz BBTNPNRFJNWIAD-GOSISDBHSA-N 2 1 318.505 3.407 20 0 DGADMP Cc1cccc(C)c1N1CC[NH+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246948103 1104748963 /nfs/dbraw/zinc/74/89/63/1104748963.db2.gz HXKRDHPNAVRJGK-SFHVURJKSA-N 2 1 313.489 3.100 20 0 DGADMP CCOCC[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001246949643 1104749463 /nfs/dbraw/zinc/74/94/63/1104749463.db2.gz JXMJAFNSECFICT-OAHLLOKOSA-N 2 1 324.896 3.362 20 0 DGADMP Cc1ccc(C[N@H+]([C@H]2CCSC2)C2CC[NH2+]CC2)c(F)c1 ZINC001246961220 1104752011 /nfs/dbraw/zinc/75/20/11/1104752011.db2.gz JPGBELQAVRQJRU-INIZCTEOSA-N 2 1 308.466 3.194 20 0 DGADMP Cc1ccc(C[N@@H+]([C@H]2CCSC2)C2CC[NH2+]CC2)c(F)c1 ZINC001246961220 1104752016 /nfs/dbraw/zinc/75/20/16/1104752016.db2.gz JPGBELQAVRQJRU-INIZCTEOSA-N 2 1 308.466 3.194 20 0 DGADMP Cc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246961810 1104752760 /nfs/dbraw/zinc/75/27/60/1104752760.db2.gz AYSHVSKJJZXXOB-KSZLIROESA-N 2 1 317.477 3.010 20 0 DGADMP CC[C@@H]1CC([N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246964818 1104753540 /nfs/dbraw/zinc/75/35/40/1104753540.db2.gz FNCWGKSFCZEXCO-NUJGCVRESA-N 2 1 317.477 3.152 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246964020 1104753811 /nfs/dbraw/zinc/75/38/11/1104753811.db2.gz JPONTUFHYRQASC-KZNAEPCWSA-N 3 1 305.510 3.033 20 0 DGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC[NH2+]1 ZINC001246967199 1104754753 /nfs/dbraw/zinc/75/47/53/1104754753.db2.gz LTGFTSGQNUJBNX-SZMVWBNQSA-N 2 1 317.477 3.092 20 0 DGADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)C2)c1 ZINC001246968500 1104755442 /nfs/dbraw/zinc/75/54/42/1104755442.db2.gz QCEIFXLAXZHCCS-RCCFBDPRSA-N 2 1 317.477 3.010 20 0 DGADMP CCN1CC[C@@H]([N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246972367 1104756569 /nfs/dbraw/zinc/75/65/69/1104756569.db2.gz HXJXRBVFLBKGKK-VAMGGRTRSA-N 2 1 315.505 3.161 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974343 1104756958 /nfs/dbraw/zinc/75/69/58/1104756958.db2.gz RCEBAJISWJZAHR-SUMWQHHRSA-N 2 1 320.864 3.108 20 0 DGADMP Clc1ccc2c(c1)C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CO2 ZINC001246974343 1104756963 /nfs/dbraw/zinc/75/69/63/1104756963.db2.gz RCEBAJISWJZAHR-SUMWQHHRSA-N 2 1 320.864 3.108 20 0 DGADMP C[C@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)CO1 ZINC001246973553 1104757248 /nfs/dbraw/zinc/75/72/48/1104757248.db2.gz GLCOVMPNPHFHPQ-FFGOWVMKSA-N 2 1 314.473 3.371 20 0 DGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ncccc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246972848 1104757308 /nfs/dbraw/zinc/75/73/08/1104757308.db2.gz JOZOZSWTZYULOQ-XMTFNYHQSA-N 2 1 317.477 3.152 20 0 DGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccncc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975493 1104758092 /nfs/dbraw/zinc/75/80/92/1104758092.db2.gz UHTUAUZMERMLCO-MLHJIOFPSA-N 2 1 317.477 3.152 20 0 DGADMP Cc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)n1 ZINC001246977184 1104760275 /nfs/dbraw/zinc/76/02/75/1104760275.db2.gz ZWHSSBHORFGFOC-BBWFWOEESA-N 2 1 317.477 3.010 20 0 DGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246983196 1104762128 /nfs/dbraw/zinc/76/21/28/1104762128.db2.gz APBJBKMVMOJJNO-CYBMUJFWSA-N 2 1 317.285 3.273 20 0 DGADMP CC[C@@H]1C[C@@H](N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000623 1104771389 /nfs/dbraw/zinc/77/13/89/1104771389.db2.gz FWBOTQWCSSXHBS-LZQZEXGQSA-N 2 1 319.468 3.035 20 0 DGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001247001172 1104771495 /nfs/dbraw/zinc/77/14/95/1104771495.db2.gz JNZLELHKVACKFI-ZIEJDFEHSA-N 2 1 323.278 3.440 20 0 DGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001247000090 1104771669 /nfs/dbraw/zinc/77/16/69/1104771669.db2.gz DWUGBHDVPSDUHZ-MRXNPFEDSA-N 2 1 302.487 3.019 20 0 DGADMP C[C@H](Cc1cccnc1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247004370 1104772355 /nfs/dbraw/zinc/77/23/55/1104772355.db2.gz MCJPFALOLXUPAR-QGZVFWFLSA-N 2 1 321.468 3.150 20 0 DGADMP c1ccc2c(c1)CC([NH+]1CCC3(CC1)[NH2+]CCc1ccccc13)C2 ZINC001247004633 1104773627 /nfs/dbraw/zinc/77/36/27/1104773627.db2.gz NAIFXYJCKHEHRG-UHFFFAOYSA-N 2 1 318.464 3.291 20 0 DGADMP CCSC[C@@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247007470 1104773819 /nfs/dbraw/zinc/77/38/19/1104773819.db2.gz WWLRJSVDJIJVOX-OAHLLOKOSA-N 2 1 304.503 3.265 20 0 DGADMP Fc1cc2c(cc1F)C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001247005190 1104774806 /nfs/dbraw/zinc/77/48/06/1104774806.db2.gz RNVKWSQYOGASEF-HNNXBMFYSA-N 2 1 306.400 3.245 20 0 DGADMP Clc1cccc2c1CC[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247015876 1104779798 /nfs/dbraw/zinc/77/97/98/1104779798.db2.gz QTMTVWVGJDRBJL-RVKKMQEKSA-N 2 1 304.865 3.271 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ncc(Cl)cc3Cl)C[C@H]2CC1 ZINC001275513663 1104787610 /nfs/dbraw/zinc/78/76/10/1104787610.db2.gz OMTNYHRFDJOLSK-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ncc(Cl)cc3Cl)C[C@H]2CC1 ZINC001275513663 1104787613 /nfs/dbraw/zinc/78/76/13/1104787613.db2.gz OMTNYHRFDJOLSK-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ncc(Cl)cc3Cl)C[C@H]2CC1 ZINC001275513663 1104787618 /nfs/dbraw/zinc/78/76/18/1104787618.db2.gz OMTNYHRFDJOLSK-TXEJJXNPSA-N 2 1 314.260 3.162 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3ncsc3c1)CC2 ZINC001275561269 1104809552 /nfs/dbraw/zinc/80/95/52/1104809552.db2.gz VZBPMOHTOHJETQ-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(Cl)n1 ZINC001275738483 1104887881 /nfs/dbraw/zinc/88/78/81/1104887881.db2.gz AYYHDZKLRNVRGC-UHFFFAOYSA-N 2 1 307.869 3.351 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275741173 1104889939 /nfs/dbraw/zinc/88/99/39/1104889939.db2.gz XURKMHPVKACLJL-CALCHBBNSA-N 2 1 318.509 3.029 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275741173 1104889946 /nfs/dbraw/zinc/88/99/46/1104889946.db2.gz XURKMHPVKACLJL-CALCHBBNSA-N 2 1 318.509 3.029 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275741173 1104889953 /nfs/dbraw/zinc/88/99/53/1104889953.db2.gz XURKMHPVKACLJL-CALCHBBNSA-N 2 1 318.509 3.029 20 0 DGADMP Cn1nc(-c2ccccc2)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275792667 1104910166 /nfs/dbraw/zinc/91/01/66/1104910166.db2.gz SJBZBRQIGNBDCU-UHFFFAOYSA-N 2 1 324.472 3.005 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001275853481 1104933509 /nfs/dbraw/zinc/93/35/09/1104933509.db2.gz QRRXWDISTDSICR-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001275853481 1104933515 /nfs/dbraw/zinc/93/35/15/1104933515.db2.gz QRRXWDISTDSICR-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001275853481 1104933520 /nfs/dbraw/zinc/93/35/20/1104933520.db2.gz QRRXWDISTDSICR-KDURUIRLSA-N 2 1 324.472 3.062 20 0 DGADMP Fc1cccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001275956503 1104967504 /nfs/dbraw/zinc/96/75/04/1104967504.db2.gz KOLFVJPIZLMCSV-UHFFFAOYSA-N 2 1 317.452 3.451 20 0 DGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(C)cc1O ZINC001275971680 1104973519 /nfs/dbraw/zinc/97/35/19/1104973519.db2.gz TYULQEHJFPSCEB-UHFFFAOYSA-N 2 1 302.462 3.317 20 0 DGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3scnc3c1)CC2 ZINC001275999913 1104983923 /nfs/dbraw/zinc/98/39/23/1104983923.db2.gz MXNMZCMYDPUEIP-UHFFFAOYSA-N 2 1 301.459 3.214 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]1C)C2 ZINC001276030292 1104991381 /nfs/dbraw/zinc/99/13/81/1104991381.db2.gz CPCKQPCRFPOBNQ-HFTRVMKXSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@H]1C)C2 ZINC001276030292 1104991386 /nfs/dbraw/zinc/99/13/86/1104991386.db2.gz CPCKQPCRFPOBNQ-HFTRVMKXSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@H]1C)C2 ZINC001276030292 1104991391 /nfs/dbraw/zinc/99/13/91/1104991391.db2.gz CPCKQPCRFPOBNQ-HFTRVMKXSA-N 2 1 319.518 3.395 20 0 DGADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@H]1C)C2 ZINC001276030292 1104991396 /nfs/dbraw/zinc/99/13/96/1104991396.db2.gz CPCKQPCRFPOBNQ-HFTRVMKXSA-N 2 1 319.518 3.395 20 0 DGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4c(s3)CCCC4)(C1)CCC2 ZINC001276071165 1105008419 /nfs/dbraw/zinc/00/84/19/1105008419.db2.gz CXESBEPMGQHGJI-DLBZAZTESA-N 2 1 305.491 3.176 20 0 DGADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276077824 1105009625 /nfs/dbraw/zinc/00/96/25/1105009625.db2.gz IIJAOZXOKPQAQQ-LJQANCHMSA-N 2 1 312.461 3.179 20 0 DGADMP Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276077824 1105009630 /nfs/dbraw/zinc/00/96/30/1105009630.db2.gz IIJAOZXOKPQAQQ-LJQANCHMSA-N 2 1 312.461 3.179 20 0 DGADMP Cc1[nH]c2ncccc2c1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276077824 1105009636 /nfs/dbraw/zinc/00/96/36/1105009636.db2.gz IIJAOZXOKPQAQQ-LJQANCHMSA-N 2 1 312.461 3.179 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)c1 ZINC001276093060 1105015707 /nfs/dbraw/zinc/01/57/07/1105015707.db2.gz WIZASSYYSAQEHD-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(C)c1 ZINC001276093060 1105015713 /nfs/dbraw/zinc/01/57/13/1105015713.db2.gz WIZASSYYSAQEHD-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(C)c1 ZINC001276093060 1105015721 /nfs/dbraw/zinc/01/57/21/1105015721.db2.gz WIZASSYYSAQEHD-LJQANCHMSA-N 2 1 302.462 3.311 20 0 DGADMP Cc1csc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)n1 ZINC001276139776 1105029082 /nfs/dbraw/zinc/02/90/82/1105029082.db2.gz BTSGRLQFOKAKHY-UHFFFAOYSA-N 2 1 305.491 3.292 20 0 DGADMP CCc1cccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)n1 ZINC001276187496 1105042744 /nfs/dbraw/zinc/04/27/44/1105042744.db2.gz GSKIGJMPFAZBBN-UHFFFAOYSA-N 2 1 324.472 3.070 20 0 DGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000719951445 1105045373 /nfs/dbraw/zinc/04/53/73/1105045373.db2.gz AJLNBIHLXQZDCZ-XUVXKRRUSA-N 2 1 315.505 3.243 20 0 DGADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc(C)c1F ZINC001248194070 1105065602 /nfs/dbraw/zinc/06/56/02/1105065602.db2.gz FGMUAVJLZJXAGH-AWEZNQCLSA-N 2 1 320.412 3.224 20 0 DGADMP c1nc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cs1 ZINC001276280698 1105075229 /nfs/dbraw/zinc/07/52/29/1105075229.db2.gz NWILHCZYNSSDLT-UHFFFAOYSA-N 2 1 305.491 3.374 20 0 DGADMP c1nc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cs1 ZINC001276280698 1105075237 /nfs/dbraw/zinc/07/52/37/1105075237.db2.gz NWILHCZYNSSDLT-UHFFFAOYSA-N 2 1 305.491 3.374 20 0 DGADMP C[N@@H+](Cc1ncc(C(F)(F)F)cc1F)CC1CC[NH+](C)CC1 ZINC001248788941 1105161042 /nfs/dbraw/zinc/16/10/42/1105161042.db2.gz GQZPYPCNDBSXTN-UHFFFAOYSA-N 2 1 319.346 3.013 20 0 DGADMP C[N@H+](Cc1ncc(C(F)(F)F)cc1F)CC1CC[NH+](C)CC1 ZINC001248788941 1105161044 /nfs/dbraw/zinc/16/10/44/1105161044.db2.gz GQZPYPCNDBSXTN-UHFFFAOYSA-N 2 1 319.346 3.013 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N)[nH+]cn1 ZINC001251645964 1105677113 /nfs/dbraw/zinc/67/71/13/1105677113.db2.gz UGPGNMXORIWZRM-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N)[nH+]cn1 ZINC001251645964 1105677118 /nfs/dbraw/zinc/67/71/18/1105677118.db2.gz UGPGNMXORIWZRM-AWEZNQCLSA-N 2 1 311.433 3.045 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H](O)c1ccccc1 ZINC001251992609 1105720478 /nfs/dbraw/zinc/72/04/78/1105720478.db2.gz ZFGLNSYKPGMJDU-IPMKNSEASA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001251992609 1105720480 /nfs/dbraw/zinc/72/04/80/1105720480.db2.gz ZFGLNSYKPGMJDU-IPMKNSEASA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001251992609 1105720484 /nfs/dbraw/zinc/72/04/84/1105720484.db2.gz ZFGLNSYKPGMJDU-IPMKNSEASA-N 2 1 302.462 3.059 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H](O)c1ccccc1 ZINC001251992610 1105721236 /nfs/dbraw/zinc/72/12/36/1105721236.db2.gz ZFGLNSYKPGMJDU-OTWHNJEPSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001251992610 1105721237 /nfs/dbraw/zinc/72/12/37/1105721237.db2.gz ZFGLNSYKPGMJDU-OTWHNJEPSA-N 2 1 302.462 3.059 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccccc1 ZINC001251992610 1105721241 /nfs/dbraw/zinc/72/12/41/1105721241.db2.gz ZFGLNSYKPGMJDU-OTWHNJEPSA-N 2 1 302.462 3.059 20 0 DGADMP CCCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC001252848801 1105841869 /nfs/dbraw/zinc/84/18/69/1105841869.db2.gz SORZYSSDSDZSHF-SFHVURJKSA-N 2 1 308.441 3.055 20 0 DGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC001252848801 1105841873 /nfs/dbraw/zinc/84/18/73/1105841873.db2.gz SORZYSSDSDZSHF-SFHVURJKSA-N 2 1 308.441 3.055 20 0 DGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H](O)c1ccc(F)cc1 ZINC001252850101 1105841973 /nfs/dbraw/zinc/84/19/73/1105841973.db2.gz PLBHFXVBJCFEKB-FHWLQOOXSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC001252850101 1105841980 /nfs/dbraw/zinc/84/19/80/1105841980.db2.gz PLBHFXVBJCFEKB-FHWLQOOXSA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC001252850101 1105841986 /nfs/dbraw/zinc/84/19/86/1105841986.db2.gz PLBHFXVBJCFEKB-FHWLQOOXSA-N 2 1 320.452 3.198 20 0 DGADMP CC[N@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252916766 1105853712 /nfs/dbraw/zinc/85/37/12/1105853712.db2.gz HWLAASQASFMRRK-OAQYLSRUSA-N 2 1 324.468 3.146 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252916766 1105853719 /nfs/dbraw/zinc/85/37/19/1105853719.db2.gz HWLAASQASFMRRK-OAQYLSRUSA-N 2 1 324.468 3.146 20 0 DGADMP CC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252916766 1105853725 /nfs/dbraw/zinc/85/37/25/1105853725.db2.gz HWLAASQASFMRRK-OAQYLSRUSA-N 2 1 324.468 3.146 20 0 DGADMP CC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252916766 1105853731 /nfs/dbraw/zinc/85/37/31/1105853731.db2.gz HWLAASQASFMRRK-OAQYLSRUSA-N 2 1 324.468 3.146 20 0 DGADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945388 1105858464 /nfs/dbraw/zinc/85/84/64/1105858464.db2.gz CINFDPHHBQGPSG-JENIJYKNSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945388 1105858466 /nfs/dbraw/zinc/85/84/66/1105858466.db2.gz CINFDPHHBQGPSG-JENIJYKNSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@](O)(C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001253101589 1105888830 /nfs/dbraw/zinc/88/88/30/1105888830.db2.gz UTZKLTIWPFDIJP-UXHICEINSA-N 2 1 316.489 3.235 20 0 DGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001253204067 1105902828 /nfs/dbraw/zinc/90/28/28/1105902828.db2.gz PKZRDUDQOBABJD-BEFAXECRSA-N 2 1 300.446 3.193 20 0 DGADMP CC[NH+](CC)C[C@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC001253207936 1105903558 /nfs/dbraw/zinc/90/35/58/1105903558.db2.gz LHUDEKZBOTUPGX-GOSISDBHSA-N 2 1 304.478 3.138 20 0 DGADMP CSc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395214 1105933519 /nfs/dbraw/zinc/93/35/19/1105933519.db2.gz BUZMCKDYAPZFJC-GDBMZVCRSA-N 2 1 322.518 3.294 20 0 DGADMP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253395214 1105933526 /nfs/dbraw/zinc/93/35/26/1105933526.db2.gz BUZMCKDYAPZFJC-GDBMZVCRSA-N 2 1 322.518 3.294 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001253405308 1105935274 /nfs/dbraw/zinc/93/52/74/1105935274.db2.gz VWHGZSMBLNFOJO-FZMZJTMJSA-N 2 1 318.383 3.105 20 0 DGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CC1CC1)c1ccc(F)cc1 ZINC001253410347 1105936103 /nfs/dbraw/zinc/93/61/03/1105936103.db2.gz HMPSVGNDDSUTJW-DLBZAZTESA-N 2 1 308.441 3.006 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC001253613241 1105964495 /nfs/dbraw/zinc/96/44/95/1105964495.db2.gz ZSGFWDDTGYBULS-NLWGTHIKSA-N 2 1 316.489 3.476 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@@H]2CCCOC2)CC1 ZINC001254372360 1106062273 /nfs/dbraw/zinc/06/22/73/1106062273.db2.gz SADRDJJMQLUYBK-BRWVUGGUSA-N 2 1 306.425 3.077 20 0 DGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CCCOC2)CC1 ZINC001254372361 1106062476 /nfs/dbraw/zinc/06/24/76/1106062476.db2.gz SADRDJJMQLUYBK-ULQDDVLXSA-N 2 1 306.425 3.077 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCCOC2)CC1 ZINC001254383457 1106062824 /nfs/dbraw/zinc/06/28/24/1106062824.db2.gz FTIYCORGXOLWCT-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254383457 1106062828 /nfs/dbraw/zinc/06/28/28/1106062828.db2.gz FTIYCORGXOLWCT-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254383457 1106062831 /nfs/dbraw/zinc/06/28/31/1106062831.db2.gz FTIYCORGXOLWCT-LJQANCHMSA-N 2 1 302.462 3.152 20 0 DGADMP CC(C)[N@@H+](C)Cc1nn(C2CCC3(CC3)CC2)c2c1CC[NH2+]C2 ZINC001254442231 1106070886 /nfs/dbraw/zinc/07/08/86/1106070886.db2.gz DKJWJKJMSXYZJE-UHFFFAOYSA-N 2 1 316.493 3.264 20 0 DGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001254499171 1106082902 /nfs/dbraw/zinc/08/29/02/1106082902.db2.gz BOSIDKVYPVFMGG-GFCCVEGCSA-N 2 1 304.331 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001254499171 1106082909 /nfs/dbraw/zinc/08/29/09/1106082909.db2.gz BOSIDKVYPVFMGG-GFCCVEGCSA-N 2 1 304.331 3.418 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254502594 1106085026 /nfs/dbraw/zinc/08/50/26/1106085026.db2.gz GSKLZMYTNCACAY-LBPRGKRZSA-N 2 1 316.367 3.288 20 0 DGADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254502594 1106085032 /nfs/dbraw/zinc/08/50/32/1106085032.db2.gz GSKLZMYTNCACAY-LBPRGKRZSA-N 2 1 316.367 3.288 20 0 DGADMP C[N@H+]1CCC[C@@H](Nc2ccc(C[NH3+])c(C(F)(F)F)c2)CC1 ZINC001254508180 1106086488 /nfs/dbraw/zinc/08/64/88/1106086488.db2.gz HUELBGZYNPNERH-GFCCVEGCSA-N 2 1 301.356 3.060 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC1 ZINC001254514860 1106088716 /nfs/dbraw/zinc/08/87/16/1106088716.db2.gz OWGNRDBTABTMRU-SECBINFHSA-N 2 1 306.294 3.191 20 0 DGADMP COc1cccc(CC2(C[NH2+][C@@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254512207 1106088834 /nfs/dbraw/zinc/08/88/34/1106088834.db2.gz KNAPECFXILQMHW-GOSISDBHSA-N 2 1 316.489 3.482 20 0 DGADMP C[N@H+]1CCC[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC1 ZINC001254514861 1106088951 /nfs/dbraw/zinc/08/89/51/1106088951.db2.gz OWGNRDBTABTMRU-VIFPVBQESA-N 2 1 306.294 3.191 20 0 DGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001254522483 1106089622 /nfs/dbraw/zinc/08/96/22/1106089622.db2.gz GRYZFKAEQYGPNV-GOSISDBHSA-N 2 1 302.462 3.152 20 0 DGADMP COc1cccc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254522880 1106090592 /nfs/dbraw/zinc/09/05/92/1106090592.db2.gz KGSLCEVQRSIYMM-APWZRJJASA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254522880 1106090597 /nfs/dbraw/zinc/09/05/97/1106090597.db2.gz KGSLCEVQRSIYMM-APWZRJJASA-N 2 1 318.461 3.023 20 0 DGADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254522880 1106090602 /nfs/dbraw/zinc/09/06/02/1106090602.db2.gz KGSLCEVQRSIYMM-APWZRJJASA-N 2 1 318.461 3.023 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516170 1106091130 /nfs/dbraw/zinc/09/11/30/1106091130.db2.gz JTDULFCPCPJRDP-KRWDZBQOSA-N 2 1 321.896 3.255 20 0 DGADMP Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516170 1106091135 /nfs/dbraw/zinc/09/11/35/1106091135.db2.gz JTDULFCPCPJRDP-KRWDZBQOSA-N 2 1 321.896 3.255 20 0 DGADMP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530243 1106094643 /nfs/dbraw/zinc/09/46/43/1106094643.db2.gz VPJKHFHGTAYLGT-XHSDSOJGSA-N 2 1 322.456 3.001 20 0 DGADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530243 1106094649 /nfs/dbraw/zinc/09/46/49/1106094649.db2.gz VPJKHFHGTAYLGT-XHSDSOJGSA-N 2 1 322.456 3.001 20 0 DGADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530243 1106094657 /nfs/dbraw/zinc/09/46/57/1106094657.db2.gz VPJKHFHGTAYLGT-XHSDSOJGSA-N 2 1 322.456 3.001 20 0 DGADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001254530243 1106094662 /nfs/dbraw/zinc/09/46/62/1106094662.db2.gz VPJKHFHGTAYLGT-XHSDSOJGSA-N 2 1 322.456 3.001 20 0 DGADMP COc1cccc(CC2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254530028 1106095372 /nfs/dbraw/zinc/09/53/72/1106095372.db2.gz TWZCVSBQJHSZIY-IBGZPJMESA-N 2 1 316.489 3.434 20 0 DGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254532838 1106096461 /nfs/dbraw/zinc/09/64/61/1106096461.db2.gz XUMDPXIJRKZEJL-HZPDHXFCSA-N 2 1 320.502 3.346 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532838 1106096466 /nfs/dbraw/zinc/09/64/66/1106096466.db2.gz XUMDPXIJRKZEJL-HZPDHXFCSA-N 2 1 320.502 3.346 20 0 DGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532838 1106096472 /nfs/dbraw/zinc/09/64/72/1106096472.db2.gz XUMDPXIJRKZEJL-HZPDHXFCSA-N 2 1 320.502 3.346 20 0 DGADMP COc1cccc([C@@H]2CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)c1 ZINC001254532473 1106097147 /nfs/dbraw/zinc/09/71/47/1106097147.db2.gz SXCZCXWBOMDPIV-MSOLQXFVSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)c1 ZINC001254532473 1106097154 /nfs/dbraw/zinc/09/71/54/1106097154.db2.gz SXCZCXWBOMDPIV-MSOLQXFVSA-N 2 1 302.462 3.359 20 0 DGADMP COc1cccc([C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)c1 ZINC001254532473 1106097160 /nfs/dbraw/zinc/09/71/60/1106097160.db2.gz SXCZCXWBOMDPIV-MSOLQXFVSA-N 2 1 302.462 3.359 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254612497 1106113439 /nfs/dbraw/zinc/11/34/39/1106113439.db2.gz HWBATJFHXOURRT-MRXNPFEDSA-N 2 1 319.468 3.116 20 0 DGADMP O=C1C[C@@H]2CC([N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955279 1106159924 /nfs/dbraw/zinc/15/99/24/1106159924.db2.gz ZNGDQPLHFNJOGQ-ULQDDVLXSA-N 2 1 304.478 3.085 20 0 DGADMP O=C1C[C@@H]2CC([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@H]2C1 ZINC001254955279 1106159928 /nfs/dbraw/zinc/15/99/28/1106159928.db2.gz ZNGDQPLHFNJOGQ-ULQDDVLXSA-N 2 1 304.478 3.085 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001255046052 1106172644 /nfs/dbraw/zinc/17/26/44/1106172644.db2.gz PIPYLLOIZREJAT-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001255046052 1106172646 /nfs/dbraw/zinc/17/26/46/1106172646.db2.gz PIPYLLOIZREJAT-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C4CCOCC4)CC[C@@H]3C2)cc1 ZINC001255046052 1106172649 /nfs/dbraw/zinc/17/26/49/1106172649.db2.gz PIPYLLOIZREJAT-MOPGFXCFSA-N 2 1 314.473 3.009 20 0 DGADMP CC1(C)C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001255125795 1106185487 /nfs/dbraw/zinc/18/54/87/1106185487.db2.gz FZGQLYFDIAHSFF-FCGDIQPGSA-N 2 1 314.473 3.339 20 0 DGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001255148874 1106190616 /nfs/dbraw/zinc/19/06/16/1106190616.db2.gz CPUHVGJHBLMEEV-BCDXTJNWSA-N 2 1 314.498 3.231 20 0 DGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001255148874 1106190618 /nfs/dbraw/zinc/19/06/18/1106190618.db2.gz CPUHVGJHBLMEEV-BCDXTJNWSA-N 2 1 314.498 3.231 20 0 DGADMP COc1ccccc1C[N@@H+]([C@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255275414 1106214307 /nfs/dbraw/zinc/21/43/07/1106214307.db2.gz JYHVVXSTURCZEN-ULQDDVLXSA-N 2 1 320.502 3.273 20 0 DGADMP CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001255324144 1106221820 /nfs/dbraw/zinc/22/18/20/1106221820.db2.gz AGSLFGSNLMSLFF-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CCCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001255324144 1106221822 /nfs/dbraw/zinc/22/18/22/1106221822.db2.gz AGSLFGSNLMSLFF-IRXDYDNUSA-N 2 1 324.509 3.305 20 0 DGADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350507 1106229511 /nfs/dbraw/zinc/22/95/11/1106229511.db2.gz UUHUIJCEGAIFGT-UOVPBQLFSA-N 2 1 322.493 3.233 20 0 DGADMP C[C@@]1(O)CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255376497 1106235024 /nfs/dbraw/zinc/23/50/24/1106235024.db2.gz BYBXRYCLNXQJOK-UFYCRDLUSA-N 2 1 316.489 3.324 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCC3CCOCC3)CC2)cc1 ZINC001255382860 1106237413 /nfs/dbraw/zinc/23/74/13/1106237413.db2.gz XVRCDACFNWNDMC-FQEVSTJZSA-N 2 1 316.489 3.447 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)cc1 ZINC001255384575 1106238061 /nfs/dbraw/zinc/23/80/61/1106238061.db2.gz ZGAZEUQPCPAWEJ-RBUKOAKNSA-N 2 1 302.462 3.200 20 0 DGADMP Fc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001255390716 1106239566 /nfs/dbraw/zinc/23/95/66/1106239566.db2.gz JXFCSUNELCBOBY-SFHVURJKSA-N 2 1 313.420 3.365 20 0 DGADMP Fc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255390716 1106239571 /nfs/dbraw/zinc/23/95/71/1106239571.db2.gz JXFCSUNELCBOBY-SFHVURJKSA-N 2 1 313.420 3.365 20 0 DGADMP COC(CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001255390580 1106239890 /nfs/dbraw/zinc/23/98/90/1106239890.db2.gz JCSUBWAWUXJFIE-SFHVURJKSA-N 2 1 320.477 3.030 20 0 DGADMP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255396624 1106240751 /nfs/dbraw/zinc/24/07/51/1106240751.db2.gz KULQDZAYZGCWBG-VAMGGRTRSA-N 2 1 316.489 3.182 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3C[C@]34CCCOC4)CC2)cc1 ZINC001255399025 1106242231 /nfs/dbraw/zinc/24/22/31/1106242231.db2.gz YKKWEMPXGHLCND-UFYCRDLUSA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408090 1106246390 /nfs/dbraw/zinc/24/63/90/1106246390.db2.gz HYNLSZXGFWEFNE-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408090 1106246394 /nfs/dbraw/zinc/24/63/94/1106246394.db2.gz HYNLSZXGFWEFNE-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408090 1106246398 /nfs/dbraw/zinc/24/63/98/1106246398.db2.gz HYNLSZXGFWEFNE-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001255408090 1106246400 /nfs/dbraw/zinc/24/64/00/1106246400.db2.gz HYNLSZXGFWEFNE-HSALFYBXSA-N 2 1 314.473 3.152 20 0 DGADMP CCO[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255408330 1106247215 /nfs/dbraw/zinc/24/72/15/1106247215.db2.gz KQOCYSQPNMXSKK-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255408330 1106247219 /nfs/dbraw/zinc/24/72/19/1106247219.db2.gz KQOCYSQPNMXSKK-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CCO[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255408330 1106247222 /nfs/dbraw/zinc/24/72/22/1106247222.db2.gz KQOCYSQPNMXSKK-RBUKOAKNSA-N 2 1 302.462 3.152 20 0 DGADMP CCN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410449 1106248156 /nfs/dbraw/zinc/24/81/56/1106248156.db2.gz XCXJPECMBYHDRA-HXUWFJFHSA-N 2 1 317.521 3.315 20 0 DGADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001255485805 1106257792 /nfs/dbraw/zinc/25/77/92/1106257792.db2.gz GORNZKRZSGGAAG-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001255485805 1106257795 /nfs/dbraw/zinc/25/77/95/1106257795.db2.gz GORNZKRZSGGAAG-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP CC[NH+](Cc1ccccc1)C1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001255485805 1106257797 /nfs/dbraw/zinc/25/77/97/1106257797.db2.gz GORNZKRZSGGAAG-FQEVSTJZSA-N 2 1 315.505 3.067 20 0 DGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1CCC(C(C)(C)C)CC1 ZINC001255503117 1106260231 /nfs/dbraw/zinc/26/02/31/1106260231.db2.gz QRIJRTKUYYCEMO-WZOJCFFYSA-N 2 1 321.553 3.302 20 0 DGADMP CC1(C)C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCO1 ZINC001255533429 1106265444 /nfs/dbraw/zinc/26/54/44/1106265444.db2.gz FBUYHHVJISUOFT-AWEZNQCLSA-N 2 1 306.425 3.033 20 0 DGADMP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001255643780 1106282732 /nfs/dbraw/zinc/28/27/32/1106282732.db2.gz SYFNUCMUBAZOCF-NSHDSACASA-N 2 1 304.331 3.416 20 0 DGADMP CCOc1cccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255663458 1106288997 /nfs/dbraw/zinc/28/89/97/1106288997.db2.gz HVRJAEDNJNUNED-AYHJJNSGSA-N 2 1 302.462 3.233 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255671062 1106291094 /nfs/dbraw/zinc/29/10/94/1106291094.db2.gz FIPNCYUTPIBZRF-CTXDPNEZSA-N 3 1 321.553 3.492 20 0 DGADMP CCC(CC)[NH+]1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255671062 1106291097 /nfs/dbraw/zinc/29/10/97/1106291097.db2.gz FIPNCYUTPIBZRF-CTXDPNEZSA-N 2 1 321.553 3.492 20 0 DGADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Cl)c1O ZINC001255671615 1106291183 /nfs/dbraw/zinc/29/11/83/1106291183.db2.gz MCQGZOOFYSROMZ-AGUYFDCRSA-N 2 1 324.852 3.159 20 0 DGADMP COc1cc(OC)cc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255668687 1106291266 /nfs/dbraw/zinc/29/12/66/1106291266.db2.gz HZMCOAYKWHTEMV-LNRIEFBSSA-N 2 1 318.461 3.370 20 0 DGADMP COc1cc(OC)cc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255668687 1106291270 /nfs/dbraw/zinc/29/12/70/1106291270.db2.gz HZMCOAYKWHTEMV-LNRIEFBSSA-N 2 1 318.461 3.370 20 0 DGADMP COc1cccc([C@H]2CC[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001255684299 1106294388 /nfs/dbraw/zinc/29/43/88/1106294388.db2.gz XTIWIIJHEVHEPH-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001255684299 1106294392 /nfs/dbraw/zinc/29/43/92/1106294392.db2.gz XTIWIIJHEVHEPH-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001255684299 1106294396 /nfs/dbraw/zinc/29/43/96/1106294396.db2.gz XTIWIIJHEVHEPH-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP COc1cccc([C@H]2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001255684299 1106294399 /nfs/dbraw/zinc/29/43/99/1106294399.db2.gz XTIWIIJHEVHEPH-HTUJPFKRSA-N 2 1 314.473 3.500 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255683599 1106294423 /nfs/dbraw/zinc/29/44/23/1106294423.db2.gz SHZXLDSOXBAPBN-SJPCQFCGSA-N 2 1 322.493 3.057 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255683599 1106294426 /nfs/dbraw/zinc/29/44/26/1106294426.db2.gz SHZXLDSOXBAPBN-SJPCQFCGSA-N 2 1 322.493 3.057 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccccc1N1CCCC1 ZINC001255944357 1106346027 /nfs/dbraw/zinc/34/60/27/1106346027.db2.gz UXOWXUKBYAOFFB-QGZVFWFLSA-N 2 1 303.494 3.497 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccccc1)C1(O)CCC1 ZINC001255950431 1106347449 /nfs/dbraw/zinc/34/74/49/1106347449.db2.gz HFUHFJAPUAVMFB-SJLPKXTDSA-N 2 1 304.478 3.353 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC001255952136 1106347973 /nfs/dbraw/zinc/34/79/73/1106347973.db2.gz TUYKXOSMACYESY-PBHICJAKSA-N 2 1 306.450 3.229 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccnc(OC)c1)C1CC1 ZINC001255954226 1106348798 /nfs/dbraw/zinc/34/87/98/1106348798.db2.gz ZCHOJQMTBVMGDR-KBXCAEBGSA-N 2 1 305.466 3.251 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001255963112 1106350485 /nfs/dbraw/zinc/35/04/85/1106350485.db2.gz CNAVSNJDOOAUIV-WMZOPIPTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001255963112 1106350489 /nfs/dbraw/zinc/35/04/89/1106350489.db2.gz CNAVSNJDOOAUIV-WMZOPIPTSA-N 2 1 305.466 3.045 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC001255964152 1106350833 /nfs/dbraw/zinc/35/08/33/1106350833.db2.gz PLQXMYBSZAIBAW-HNNXBMFYSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001255972315 1106352822 /nfs/dbraw/zinc/35/28/22/1106352822.db2.gz POJYVFYPVMNSEF-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001255972315 1106352826 /nfs/dbraw/zinc/35/28/26/1106352826.db2.gz POJYVFYPVMNSEF-MSOLQXFVSA-N 2 1 319.493 3.354 20 0 DGADMP CC[NH+](CC)CC[C@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001255972609 1106352928 /nfs/dbraw/zinc/35/29/28/1106352928.db2.gz VAHADCUZEBNFPP-KRWDZBQOSA-N 3 1 318.509 3.069 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001255973050 1106352973 /nfs/dbraw/zinc/35/29/73/1106352973.db2.gz XINHLPBBOBJNLB-WMZOPIPTSA-N 2 1 302.462 3.312 20 0 DGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001255973050 1106352976 /nfs/dbraw/zinc/35/29/76/1106352976.db2.gz XINHLPBBOBJNLB-WMZOPIPTSA-N 2 1 302.462 3.312 20 0 DGADMP COc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256073685 1106365070 /nfs/dbraw/zinc/36/50/70/1106365070.db2.gz ADUULHOMIPETMM-LJQANCHMSA-N 2 1 300.446 3.363 20 0 DGADMP CC(C)(C)OC(=O)CC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256080917 1106366203 /nfs/dbraw/zinc/36/62/03/1106366203.db2.gz HRYUUPIZJJCBDL-UHFFFAOYSA-N 2 1 322.493 3.057 20 0 DGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1cccc(Br)c1 ZINC001256175964 1106384207 /nfs/dbraw/zinc/38/42/07/1106384207.db2.gz XSTOOFKHLDJRBZ-LLVKDONJSA-N 2 1 322.250 3.259 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1cccc(Br)c1 ZINC001256174130 1106384329 /nfs/dbraw/zinc/38/43/29/1106384329.db2.gz DHKFDCVFUZFWQZ-ZDUSSCGKSA-N 2 1 313.283 3.439 20 0 DGADMP C[NH+]1CCC([NH2+][C@@H](CC2CCOCC2)c2ccccc2)CC1 ZINC001256201424 1106390039 /nfs/dbraw/zinc/39/00/39/1106390039.db2.gz JOFKLEPBUDUMPZ-IBGZPJMESA-N 2 1 302.462 3.228 20 0 DGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001256353393 1106408658 /nfs/dbraw/zinc/40/86/58/1106408658.db2.gz SKBVWHZWYNVBCP-QGZVFWFLSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)CC[C@H](C)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001256367697 1106411293 /nfs/dbraw/zinc/41/12/93/1106411293.db2.gz IEBWSHNSGYDBCU-INIZCTEOSA-N 2 1 321.513 3.149 20 0 DGADMP CC(C)CC[C@H](C)N1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001256367697 1106411297 /nfs/dbraw/zinc/41/12/97/1106411297.db2.gz IEBWSHNSGYDBCU-INIZCTEOSA-N 2 1 321.513 3.149 20 0 DGADMP C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001256418720 1106419242 /nfs/dbraw/zinc/41/92/42/1106419242.db2.gz YJFITFOREDBNGN-MJGOQNOKSA-N 2 1 301.478 3.353 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529277 1106434316 /nfs/dbraw/zinc/43/43/16/1106434316.db2.gz RPXYQNJNCCOMAC-NZSAHSFTSA-N 2 1 304.478 3.180 20 0 DGADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529277 1106434321 /nfs/dbraw/zinc/43/43/21/1106434321.db2.gz RPXYQNJNCCOMAC-NZSAHSFTSA-N 2 1 304.478 3.180 20 0 DGADMP CCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525996 1106434658 /nfs/dbraw/zinc/43/46/58/1106434658.db2.gz HKYGBKNLZMJWRO-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP CCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525996 1106434659 /nfs/dbraw/zinc/43/46/59/1106434659.db2.gz HKYGBKNLZMJWRO-MJGOQNOKSA-N 2 1 304.478 3.446 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@](C)(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535738 1106436699 /nfs/dbraw/zinc/43/66/99/1106436699.db2.gz AKBWLPUNLDSKDS-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535738 1106436701 /nfs/dbraw/zinc/43/67/01/1106436701.db2.gz AKBWLPUNLDSKDS-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535738 1106436706 /nfs/dbraw/zinc/43/67/06/1106436706.db2.gz AKBWLPUNLDSKDS-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535738 1106436707 /nfs/dbraw/zinc/43/67/07/1106436707.db2.gz AKBWLPUNLDSKDS-RLLQIKCJSA-N 2 1 316.489 3.276 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256539781 1106437963 /nfs/dbraw/zinc/43/79/63/1106437963.db2.gz WWKVHTRKXVRYJC-RSPOEFSDSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256539781 1106437965 /nfs/dbraw/zinc/43/79/65/1106437965.db2.gz WWKVHTRKXVRYJC-RSPOEFSDSA-N 2 1 314.473 3.198 20 0 DGADMP C[C@@H]1C[C@H]([N@@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552832 1106440637 /nfs/dbraw/zinc/44/06/37/1106440637.db2.gz DZINTWQACFYLHO-IEBWSBKVSA-N 2 1 314.473 3.294 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCOCC23CCC3)CCN1Cc1ccccc1 ZINC001256552832 1106440640 /nfs/dbraw/zinc/44/06/40/1106440640.db2.gz DZINTWQACFYLHO-IEBWSBKVSA-N 2 1 314.473 3.294 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256551891 1106440918 /nfs/dbraw/zinc/44/09/18/1106440918.db2.gz WIWAXRMLOWFIPG-MJGOQNOKSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@H+](CCCO)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551891 1106440922 /nfs/dbraw/zinc/44/09/22/1106440922.db2.gz WIWAXRMLOWFIPG-MJGOQNOKSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[N@@H+](CCCO)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256551891 1106440926 /nfs/dbraw/zinc/44/09/26/1106440926.db2.gz WIWAXRMLOWFIPG-MJGOQNOKSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551891 1106440928 /nfs/dbraw/zinc/44/09/28/1106440928.db2.gz WIWAXRMLOWFIPG-MJGOQNOKSA-N 2 1 304.478 3.132 20 0 DGADMP CC(C)[NH+](CCCO)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256551891 1106440932 /nfs/dbraw/zinc/44/09/32/1106440932.db2.gz WIWAXRMLOWFIPG-MJGOQNOKSA-N 2 1 304.478 3.132 20 0 DGADMP CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256556257 1106443764 /nfs/dbraw/zinc/44/37/64/1106443764.db2.gz YAQQWCXTAKGBKV-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP Cc1nc2cc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)ccc2o1 ZINC001256561244 1106445204 /nfs/dbraw/zinc/44/52/04/1106445204.db2.gz ANEUIEHCCCJTED-UHFFFAOYSA-N 2 1 301.434 3.489 20 0 DGADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001256565210 1106445950 /nfs/dbraw/zinc/44/59/50/1106445950.db2.gz ASFCWDGUMFGXGG-SFHVURJKSA-N 2 1 307.526 3.103 20 0 DGADMP CC(C)(C)[NH+]1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256566891 1106446766 /nfs/dbraw/zinc/44/67/66/1106446766.db2.gz NSDWABXKLMXATK-QAQDUYKDSA-N 3 1 307.526 3.231 20 0 DGADMP CC(C)(C)N1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256566891 1106446768 /nfs/dbraw/zinc/44/67/68/1106446768.db2.gz NSDWABXKLMXATK-QAQDUYKDSA-N 2 1 307.526 3.231 20 0 DGADMP CC(C)(C)N1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256566891 1106446771 /nfs/dbraw/zinc/44/67/71/1106446771.db2.gz NSDWABXKLMXATK-QAQDUYKDSA-N 2 1 307.526 3.231 20 0 DGADMP COc1cccc(CC[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256573877 1106448500 /nfs/dbraw/zinc/44/85/00/1106448500.db2.gz PPVMBVXSESCJLF-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP COc1ccccc1CC[N@@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572973 1106448631 /nfs/dbraw/zinc/44/86/31/1106448631.db2.gz ATPBAWGBXRLQCL-UHFFFAOYSA-N 2 1 304.478 3.432 20 0 DGADMP CCOC(=O)C1(CC)CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256576376 1106449086 /nfs/dbraw/zinc/44/90/86/1106449086.db2.gz HSMQSLIRURCPSZ-UHFFFAOYSA-N 2 1 324.509 3.305 20 0 DGADMP [NH3+]CCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601760 1106452107 /nfs/dbraw/zinc/45/21/07/1106452107.db2.gz ZOYBOGRKRIYDCC-UHFFFAOYSA-N 3 1 315.505 3.148 20 0 DGADMP C[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001256604835 1106452918 /nfs/dbraw/zinc/45/29/18/1106452918.db2.gz XIAXTKWMROGYTK-PXNSSMCTSA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001256604835 1106452920 /nfs/dbraw/zinc/45/29/20/1106452920.db2.gz XIAXTKWMROGYTK-PXNSSMCTSA-N 2 1 316.489 3.134 20 0 DGADMP CCOCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256609906 1106453771 /nfs/dbraw/zinc/45/37/71/1106453771.db2.gz UEWWZZTWQCKXPY-UHFFFAOYSA-N 2 1 316.489 3.400 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001256626786 1106456164 /nfs/dbraw/zinc/45/61/64/1106456164.db2.gz UCJQPGPUPHRBNN-RZRMAFQFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256626786 1106456167 /nfs/dbraw/zinc/45/61/67/1106456167.db2.gz UCJQPGPUPHRBNN-RZRMAFQFSA-N 2 1 300.446 3.457 20 0 DGADMP COc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256626786 1106456173 /nfs/dbraw/zinc/45/61/73/1106456173.db2.gz UCJQPGPUPHRBNN-RZRMAFQFSA-N 2 1 300.446 3.457 20 0 DGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256789164 1106483282 /nfs/dbraw/zinc/48/32/82/1106483282.db2.gz GCNLVPONMZITQH-CADBVGFASA-N 2 1 302.462 3.369 20 0 DGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256816145 1106488950 /nfs/dbraw/zinc/48/89/50/1106488950.db2.gz GXNSJITVACETMT-RTBURBONSA-N 2 1 302.462 3.324 20 0 DGADMP c1[nH+]cn([C@H]2CCO[C@H](c3ccccc3)C2)c1C1CC[NH2+]CC1 ZINC001256822880 1106490960 /nfs/dbraw/zinc/49/09/60/1106490960.db2.gz SPUMZHWBSSAFBH-HKUYNNGSSA-N 2 1 311.429 3.443 20 0 DGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccccc1Br ZINC001256826289 1106491661 /nfs/dbraw/zinc/49/16/61/1106491661.db2.gz IOCGNQRPQAZLJN-ZDUSSCGKSA-N 2 1 313.283 3.439 20 0 DGADMP Oc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)CC2 ZINC001256903357 1106506854 /nfs/dbraw/zinc/50/68/54/1106506854.db2.gz AVVJZRQTKFGNCU-ZWKOTPCHSA-N 2 1 314.473 3.246 20 0 DGADMP Oc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC001256903357 1106506857 /nfs/dbraw/zinc/50/68/57/1106506857.db2.gz AVVJZRQTKFGNCU-ZWKOTPCHSA-N 2 1 314.473 3.246 20 0 DGADMP C([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CC[NH+](C2CCC2)CC1 ZINC001256906921 1106507918 /nfs/dbraw/zinc/50/79/18/1106507918.db2.gz FDXOUIAIHJZJOB-SFHVURJKSA-N 3 1 319.537 3.248 20 0 DGADMP C([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CC[NH+](C2CCC2)CC1 ZINC001256906921 1106507922 /nfs/dbraw/zinc/50/79/22/1106507922.db2.gz FDXOUIAIHJZJOB-SFHVURJKSA-N 3 1 319.537 3.248 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C3CCCC3)C2)C1 ZINC001256908639 1106509229 /nfs/dbraw/zinc/50/92/29/1106509229.db2.gz PUVUSUURIZMARK-MOPGFXCFSA-N 2 1 319.537 3.248 20 0 DGADMP C(C1CCCC1)[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908639 1106509230 /nfs/dbraw/zinc/50/92/30/1106509230.db2.gz PUVUSUURIZMARK-MOPGFXCFSA-N 2 1 319.537 3.248 20 0 DGADMP C(C1CCCC1)[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908639 1106509232 /nfs/dbraw/zinc/50/92/32/1106509232.db2.gz PUVUSUURIZMARK-MOPGFXCFSA-N 2 1 319.537 3.248 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCCN(C3CCCC3)C2)C1 ZINC001256909965 1106509509 /nfs/dbraw/zinc/50/95/09/1106509509.db2.gz VLYIHHPDOHREBX-IEBWSBKVSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@H]1CCCCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256909965 1106509512 /nfs/dbraw/zinc/50/95/12/1106509512.db2.gz VLYIHHPDOHREBX-IEBWSBKVSA-N 2 1 307.526 3.234 20 0 DGADMP [NH3+]CCC[C@H]1CCCCN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256909965 1106509515 /nfs/dbraw/zinc/50/95/15/1106509515.db2.gz VLYIHHPDOHREBX-IEBWSBKVSA-N 2 1 307.526 3.234 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907790 1106509740 /nfs/dbraw/zinc/50/97/40/1106509740.db2.gz ILWVRSSGEZWYQB-RDJZCZTQSA-N 2 1 302.462 3.320 20 0 DGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907790 1106509742 /nfs/dbraw/zinc/50/97/42/1106509742.db2.gz ILWVRSSGEZWYQB-RDJZCZTQSA-N 2 1 302.462 3.320 20 0 DGADMP CCN(CC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256924182 1106513370 /nfs/dbraw/zinc/51/33/70/1106513370.db2.gz VEXRZYMPVCWZBX-LJQANCHMSA-N 2 1 307.526 3.201 20 0 DGADMP C[C@@H]1CC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC001257081388 1106535270 /nfs/dbraw/zinc/53/52/70/1106535270.db2.gz RHKHOEVUIXMZLV-ZIAGYGMSSA-N 2 1 306.425 3.032 20 0 DGADMP Cc1ccc(C2(O)CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001257213510 1106552306 /nfs/dbraw/zinc/55/23/06/1106552306.db2.gz OXAKJLHFJOINCR-UHFFFAOYSA-N 2 1 316.489 3.151 20 0 DGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001257219036 1106553265 /nfs/dbraw/zinc/55/32/65/1106553265.db2.gz CAYNTRGHZYKVAW-SFHVURJKSA-N 2 1 306.425 3.152 20 0 DGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001257219036 1106553269 /nfs/dbraw/zinc/55/32/69/1106553269.db2.gz CAYNTRGHZYKVAW-SFHVURJKSA-N 2 1 306.425 3.152 20 0 DGADMP CC(C)[NH+]1CCC([NH+]2CCC3(CC2)OCc2ccccc23)CC1 ZINC001257218213 1106553559 /nfs/dbraw/zinc/55/35/59/1106553559.db2.gz SHSJGHLEPLAFMG-UHFFFAOYSA-N 2 1 314.473 3.381 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257223636 1106554301 /nfs/dbraw/zinc/55/43/01/1106554301.db2.gz UGEBIQCAURAUPB-SFHVURJKSA-N 2 1 317.477 3.106 20 0 DGADMP Cc1cccnc1O[C@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257223636 1106554303 /nfs/dbraw/zinc/55/43/03/1106554303.db2.gz UGEBIQCAURAUPB-SFHVURJKSA-N 2 1 317.477 3.106 20 0 DGADMP CCC[C@@H](CC)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001257259816 1106557784 /nfs/dbraw/zinc/55/77/84/1106557784.db2.gz NIZCBYVHOMXDSN-IPMKNSEASA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@@H](CC)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001257259816 1106557789 /nfs/dbraw/zinc/55/77/89/1106557789.db2.gz NIZCBYVHOMXDSN-IPMKNSEASA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@@H](CC)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001257259816 1106557791 /nfs/dbraw/zinc/55/77/91/1106557791.db2.gz NIZCBYVHOMXDSN-IPMKNSEASA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@H](CC)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001257262314 1106558135 /nfs/dbraw/zinc/55/81/35/1106558135.db2.gz YXDBTAJKMFNWBT-CEXWTWQISA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@H](CC)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001257262314 1106558138 /nfs/dbraw/zinc/55/81/38/1106558138.db2.gz YXDBTAJKMFNWBT-CEXWTWQISA-N 2 1 308.510 3.245 20 0 DGADMP CCC[C@H](CC)[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001257260557 1106558634 /nfs/dbraw/zinc/55/86/34/1106558634.db2.gz TXZORQADPWWRJF-KRWDZBQOSA-N 2 1 324.509 3.305 20 0 DGADMP COc1ccc2cc(CC[C@@H](C)[NH2+]C(C)(C)C[NH3+])ccc2c1 ZINC001257268455 1106560115 /nfs/dbraw/zinc/56/01/15/1106560115.db2.gz GEYNAIMASULUBB-CQSZACIVSA-N 2 1 300.446 3.496 20 0 DGADMP CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001257319365 1106566739 /nfs/dbraw/zinc/56/67/39/1106566739.db2.gz NYUAQICITOXWID-YRXWBPOGSA-N 2 1 318.509 3.245 20 0 DGADMP CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001257319365 1106566743 /nfs/dbraw/zinc/56/67/43/1106566743.db2.gz NYUAQICITOXWID-YRXWBPOGSA-N 2 1 318.509 3.245 20 0 DGADMP CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001257319365 1106566745 /nfs/dbraw/zinc/56/67/45/1106566745.db2.gz NYUAQICITOXWID-YRXWBPOGSA-N 2 1 318.509 3.245 20 0 DGADMP CCCCCC1CCC([NH2+][C@@H](CCC[NH3+])C(=O)OCC)CC1 ZINC001257370820 1106575266 /nfs/dbraw/zinc/57/52/66/1106575266.db2.gz XTLNQNSBDUMHLP-JCYILVPMSA-N 2 1 312.498 3.386 20 0 DGADMP CCCCOC(=O)CC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001257402028 1106582463 /nfs/dbraw/zinc/58/24/63/1106582463.db2.gz GMWFMEJOWGSXDG-CQSZACIVSA-N 2 1 307.438 3.035 20 0 DGADMP CC[C@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446209 1106591585 /nfs/dbraw/zinc/59/15/85/1106591585.db2.gz YYIODBWZYBFODW-DOTOQJQBSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@H](C)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001257446209 1106591587 /nfs/dbraw/zinc/59/15/87/1106591587.db2.gz YYIODBWZYBFODW-DOTOQJQBSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001257446209 1106591591 /nfs/dbraw/zinc/59/15/91/1106591591.db2.gz YYIODBWZYBFODW-DOTOQJQBSA-N 2 1 323.431 3.413 20 0 DGADMP CC[C@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001257446209 1106591594 /nfs/dbraw/zinc/59/15/94/1106591594.db2.gz YYIODBWZYBFODW-DOTOQJQBSA-N 2 1 323.431 3.413 20 0 DGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257478483 1106596556 /nfs/dbraw/zinc/59/65/56/1106596556.db2.gz NTHHHQVBXUWYOI-CADBVGFASA-N 2 1 309.542 3.302 20 0 DGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257664811 1106617045 /nfs/dbraw/zinc/61/70/45/1106617045.db2.gz XYOCDSPYLPTTTP-OAHLLOKOSA-N 2 1 310.894 3.485 20 0 DGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675136 1106618953 /nfs/dbraw/zinc/61/89/53/1106618953.db2.gz XXTVPZXJULVNQH-CEXWTWQISA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675136 1106618956 /nfs/dbraw/zinc/61/89/56/1106618956.db2.gz XXTVPZXJULVNQH-CEXWTWQISA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675136 1106618959 /nfs/dbraw/zinc/61/89/59/1106618959.db2.gz XXTVPZXJULVNQH-CEXWTWQISA-N 2 1 316.514 3.254 20 0 DGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCCSC4)C[C@@H]3C2)cc1 ZINC001257675136 1106618961 /nfs/dbraw/zinc/61/89/61/1106618961.db2.gz XXTVPZXJULVNQH-CEXWTWQISA-N 2 1 316.514 3.254 20 0 DGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257960841 1106652105 /nfs/dbraw/zinc/65/21/05/1106652105.db2.gz ZLZNCYXZVCNQQO-RHSMWYFYSA-N 2 1 322.880 3.485 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC001258003022 1106655986 /nfs/dbraw/zinc/65/59/86/1106655986.db2.gz URVGIAYEOXWJMZ-SFHVURJKSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)O)CC1 ZINC001258008128 1106657411 /nfs/dbraw/zinc/65/74/11/1106657411.db2.gz GHQONTKTNNGVRH-SFHVURJKSA-N 2 1 304.478 3.209 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001258019925 1106659072 /nfs/dbraw/zinc/65/90/72/1106659072.db2.gz JVCILEGIBBVXJA-UHFFFAOYSA-N 2 1 321.553 3.446 20 0 DGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001258018952 1106659090 /nfs/dbraw/zinc/65/90/90/1106659090.db2.gz XHAXSZCFDBLXSV-IBGZPJMESA-N 2 1 317.477 3.045 20 0 DGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001258018952 1106659092 /nfs/dbraw/zinc/65/90/92/1106659092.db2.gz XHAXSZCFDBLXSV-IBGZPJMESA-N 2 1 317.477 3.045 20 0 DGADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258127497 1106678261 /nfs/dbraw/zinc/67/82/61/1106678261.db2.gz SKROMGADYUMNFG-ROUUACIJSA-N 2 1 324.509 3.449 20 0 DGADMP CO[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC001258149835 1106680665 /nfs/dbraw/zinc/68/06/65/1106680665.db2.gz QFCQWHCWIDUYJH-YLJYHZDGSA-N 2 1 316.489 3.193 20 0 DGADMP CO[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC001258149835 1106680668 /nfs/dbraw/zinc/68/06/68/1106680668.db2.gz QFCQWHCWIDUYJH-YLJYHZDGSA-N 2 1 316.489 3.193 20 0 DGADMP CCCO[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146484 1106680744 /nfs/dbraw/zinc/68/07/44/1106680744.db2.gz ZMWCOWYZRQOORR-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP CCCO[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146484 1106680747 /nfs/dbraw/zinc/68/07/47/1106680747.db2.gz ZMWCOWYZRQOORR-HXUWFJFHSA-N 2 1 316.489 3.194 20 0 DGADMP C[C@H]1CC([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C[C@H](C)C1 ZINC001258168995 1106685174 /nfs/dbraw/zinc/68/51/74/1106685174.db2.gz RRRUEYGNDHPABX-HZPDHXFCSA-N 2 1 308.510 3.386 20 0 DGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CCSC)CC1 ZINC001258206462 1106696317 /nfs/dbraw/zinc/69/63/17/1106696317.db2.gz IAJUIIIOQZMYOI-AWEZNQCLSA-N 2 1 308.491 3.087 20 0 DGADMP CSC(C)(C)C[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258337697 1106718561 /nfs/dbraw/zinc/71/85/61/1106718561.db2.gz LSAPBFLGGRXWTO-CYBMUJFWSA-N 2 1 313.511 3.037 20 0 DGADMP COc1ccc(CC[C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001258404569 1106731189 /nfs/dbraw/zinc/73/11/89/1106731189.db2.gz SIPAZINULGPKPL-MRXNPFEDSA-N 2 1 304.478 3.290 20 0 DGADMP CCOC(=O)CC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001258476385 1106769197 /nfs/dbraw/zinc/76/91/97/1106769197.db2.gz RISGKGVQDDAGNB-NVXWUHKLSA-N 2 1 306.450 3.001 20 0 DGADMP CCOC(=O)CC[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258487451 1106775501 /nfs/dbraw/zinc/77/55/01/1106775501.db2.gz TUAVIVOCKXRPOM-KBAYOESNSA-N 2 1 324.509 3.480 20 0 DGADMP CCC[N@@H+](CCC[NH3+])C1CCN(c2ccccc2Cl)CC1 ZINC001258535614 1106804730 /nfs/dbraw/zinc/80/47/30/1106804730.db2.gz MFSWRDIMOHQDOV-UHFFFAOYSA-N 2 1 309.885 3.370 20 0 DGADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258619689 1106858879 /nfs/dbraw/zinc/85/88/79/1106858879.db2.gz VRBKGIHNBSXFOC-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258619689 1106858896 /nfs/dbraw/zinc/85/88/96/1106858896.db2.gz VRBKGIHNBSXFOC-APWZRJJASA-N 2 1 301.478 3.257 20 0 DGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001258705748 1106920572 /nfs/dbraw/zinc/92/05/72/1106920572.db2.gz KGIAMYYUBRYNJN-FQEVSTJZSA-N 2 1 317.521 3.015 20 0 DGADMP CCC[NH+]1CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001258777428 1106969736 /nfs/dbraw/zinc/96/97/36/1106969736.db2.gz VIMNGYUPTKNMQR-UHFFFAOYSA-N 2 1 312.461 3.220 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258821805 1107003674 /nfs/dbraw/zinc/00/36/74/1107003674.db2.gz CFJZSPORLLVBNV-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258821805 1107003689 /nfs/dbraw/zinc/00/36/89/1107003689.db2.gz CFJZSPORLLVBNV-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258821805 1107003701 /nfs/dbraw/zinc/00/37/01/1107003701.db2.gz CFJZSPORLLVBNV-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258821805 1107003715 /nfs/dbraw/zinc/00/37/15/1107003715.db2.gz CFJZSPORLLVBNV-HZPDHXFCSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258821806 1107005067 /nfs/dbraw/zinc/00/50/67/1107005067.db2.gz CFJZSPORLLVBNV-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258821806 1107005079 /nfs/dbraw/zinc/00/50/79/1107005079.db2.gz CFJZSPORLLVBNV-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258821806 1107005090 /nfs/dbraw/zinc/00/50/90/1107005090.db2.gz CFJZSPORLLVBNV-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258821806 1107005103 /nfs/dbraw/zinc/00/51/03/1107005103.db2.gz CFJZSPORLLVBNV-JKSUJKDBSA-N 2 1 304.482 3.118 20 0 DGADMP C[C@H]1CCC[C@@H]([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824535 1107009345 /nfs/dbraw/zinc/00/93/45/1107009345.db2.gz VRUNOCLHZNAHTA-IJXRJRJASA-N 2 1 320.521 3.388 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824535 1107009358 /nfs/dbraw/zinc/00/93/58/1107009358.db2.gz VRUNOCLHZNAHTA-IJXRJRJASA-N 2 1 320.521 3.388 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001258824535 1107009373 /nfs/dbraw/zinc/00/93/73/1107009373.db2.gz VRUNOCLHZNAHTA-IJXRJRJASA-N 2 1 320.521 3.388 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258886430 1107038573 /nfs/dbraw/zinc/03/85/73/1107038573.db2.gz LAMNTJIVDPVBKJ-RYRKJORJSA-N 2 1 304.478 3.335 20 0 DGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258886431 1107039330 /nfs/dbraw/zinc/03/93/30/1107039330.db2.gz LAMNTJIVDPVBKJ-SOLBZPMBSA-N 2 1 304.478 3.335 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N)(c2ccccc2)CC1 ZINC001258905621 1107052925 /nfs/dbraw/zinc/05/29/25/1107052925.db2.gz UZBNKBBVVVJABQ-SFHVURJKSA-N 2 1 317.521 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258905621 1107052939 /nfs/dbraw/zinc/05/29/39/1107052939.db2.gz UZBNKBBVVVJABQ-SFHVURJKSA-N 2 1 317.521 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1noc(C(C)C)n1 ZINC001258908601 1107054160 /nfs/dbraw/zinc/05/41/60/1107054160.db2.gz YCVXATBIQAJVGR-OAHLLOKOSA-N 2 1 310.486 3.178 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC001258908579 1107055284 /nfs/dbraw/zinc/05/52/84/1107055284.db2.gz XSHZNNICTGNYAB-GOSISDBHSA-N 2 1 309.542 3.447 20 0 DGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001258910238 1107055675 /nfs/dbraw/zinc/05/56/75/1107055675.db2.gz OUCXKUQUVZRTGK-HNNXBMFYSA-N 2 1 318.461 3.284 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)cc1O ZINC001320747156 1107123789 /nfs/dbraw/zinc/12/37/89/1107123789.db2.gz XIHXQHIATBRYSN-UAGQMJEPSA-N 2 1 320.477 3.184 20 0 DGADMP CCCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001317457219 1107405915 /nfs/dbraw/zinc/40/59/15/1107405915.db2.gz OOVPEVCWLFWYIS-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317457219 1107405919 /nfs/dbraw/zinc/40/59/19/1107405919.db2.gz OOVPEVCWLFWYIS-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001317457219 1107405923 /nfs/dbraw/zinc/40/59/23/1107405923.db2.gz OOVPEVCWLFWYIS-GOSISDBHSA-N 2 1 323.525 3.022 20 0 DGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001261506486 1107456644 /nfs/dbraw/zinc/45/66/44/1107456644.db2.gz UHGSWMNUQLJXIM-ZDUSSCGKSA-N 2 1 315.486 3.277 20 0 DGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001322127681 1107527728 /nfs/dbraw/zinc/52/77/28/1107527728.db2.gz RTYDZRCLOQJFRK-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001322127680 1107528474 /nfs/dbraw/zinc/52/84/74/1107528474.db2.gz RTYDZRCLOQJFRK-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC001262009492 1107571710 /nfs/dbraw/zinc/57/17/10/1107571710.db2.gz YQSPLENWHOLLSU-HOCLYGCPSA-N 2 1 308.491 3.290 20 0 DGADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCC1 ZINC001262009492 1107571720 /nfs/dbraw/zinc/57/17/20/1107571720.db2.gz YQSPLENWHOLLSU-HOCLYGCPSA-N 2 1 308.491 3.290 20 0 DGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001262015023 1107576015 /nfs/dbraw/zinc/57/60/15/1107576015.db2.gz YXYZFAQYHIVSMX-IBGZPJMESA-N 2 1 311.404 3.420 20 0 DGADMP C/C(=C/c1ccccc1)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001262113488 1107624938 /nfs/dbraw/zinc/62/49/38/1107624938.db2.gz PNTJLFSKANCJNF-ICFOKQHNSA-N 2 1 314.473 3.323 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCSc1ccncc1 ZINC001262276048 1107667307 /nfs/dbraw/zinc/66/73/07/1107667307.db2.gz SNCPOSVZAQKGMC-UHFFFAOYSA-N 2 1 318.490 3.345 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCSc1ccncc1 ZINC001262276048 1107667312 /nfs/dbraw/zinc/66/73/12/1107667312.db2.gz SNCPOSVZAQKGMC-UHFFFAOYSA-N 2 1 318.490 3.345 20 0 DGADMP Cc1c[nH+]c2ccccc2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC001322556647 1107705046 /nfs/dbraw/zinc/70/50/46/1107705046.db2.gz DEOISFOCOQNTPR-UHFFFAOYSA-N 2 1 318.424 3.260 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC001322615083 1107717197 /nfs/dbraw/zinc/71/71/97/1107717197.db2.gz QBSDWTJNIVQOOM-QAPCUYQASA-N 2 1 302.462 3.394 20 0 DGADMP CCN(Cc1cc(C)[nH]n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323324965 1107938298 /nfs/dbraw/zinc/93/82/98/1107938298.db2.gz YYXSXANLBQEYLF-GOSISDBHSA-N 2 1 312.461 3.062 20 0 DGADMP CCN(Cc1cc(C)[nH]n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323324965 1107938302 /nfs/dbraw/zinc/93/83/02/1107938302.db2.gz YYXSXANLBQEYLF-GOSISDBHSA-N 2 1 312.461 3.062 20 0 DGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2N2CCCC2)CC1 ZINC000378902095 1107999653 /nfs/dbraw/zinc/99/96/53/1107999653.db2.gz YVULINWKMBFITD-UHFFFAOYSA-N 2 1 301.478 3.249 20 0 DGADMP Cc1sc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC000379927646 1108052829 /nfs/dbraw/zinc/05/28/29/1108052829.db2.gz SYDQGNQXXAPYFA-LLVKDONJSA-N 2 1 317.296 3.380 20 0 DGADMP Cc1sc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC000379927646 1108052838 /nfs/dbraw/zinc/05/28/38/1108052838.db2.gz SYDQGNQXXAPYFA-LLVKDONJSA-N 2 1 317.296 3.380 20 0 DGADMP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001323722028 1108068368 /nfs/dbraw/zinc/06/83/68/1108068368.db2.gz LSHOKRSSGTVSDD-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001323722028 1108068383 /nfs/dbraw/zinc/06/83/83/1108068383.db2.gz LSHOKRSSGTVSDD-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001323722028 1108068392 /nfs/dbraw/zinc/06/83/92/1108068392.db2.gz LSHOKRSSGTVSDD-CALCHBBNSA-N 2 1 323.525 3.020 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2sccc2Br)C1 ZINC000380693595 1108069155 /nfs/dbraw/zinc/06/91/55/1108069155.db2.gz JINNSRXYAORVEQ-JTQLQIEISA-N 2 1 303.269 3.071 20 0 DGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2sccc2Br)C1 ZINC000380693595 1108069162 /nfs/dbraw/zinc/06/91/62/1108069162.db2.gz JINNSRXYAORVEQ-JTQLQIEISA-N 2 1 303.269 3.071 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001324003368 1108142941 /nfs/dbraw/zinc/14/29/41/1108142941.db2.gz GCHJANBZIBTBCX-CCKFTAQKSA-N 2 1 314.477 3.346 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489160 1108311984 /nfs/dbraw/zinc/31/19/84/1108311984.db2.gz OKVLQHVXGHXEDF-HYVNUMGLSA-N 2 1 316.445 3.128 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489160 1108311992 /nfs/dbraw/zinc/31/19/92/1108311992.db2.gz OKVLQHVXGHXEDF-HYVNUMGLSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489160 1108312002 /nfs/dbraw/zinc/31/20/02/1108312002.db2.gz OKVLQHVXGHXEDF-HYVNUMGLSA-N 2 1 316.445 3.128 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001324489160 1108312014 /nfs/dbraw/zinc/31/20/14/1108312014.db2.gz OKVLQHVXGHXEDF-HYVNUMGLSA-N 2 1 316.445 3.128 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C/C=C\C3CC3)CC2)cc1 ZINC001324492122 1108314181 /nfs/dbraw/zinc/31/41/81/1108314181.db2.gz RTCKIKXRAIAIAV-UPHRSURJSA-N 2 1 302.437 3.388 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(COC)c2)C1 ZINC001319189534 1108357980 /nfs/dbraw/zinc/35/79/80/1108357980.db2.gz HHTNUISHANFLMB-JKSUJKDBSA-N 2 1 320.477 3.224 20 0 DGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319200759 1108362700 /nfs/dbraw/zinc/36/27/00/1108362700.db2.gz HVSVSHUWQDCBMK-CGTJXYLNSA-N 2 1 317.477 3.175 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001319333337 1108417901 /nfs/dbraw/zinc/41/79/01/1108417901.db2.gz FKZGNZLWUULRRZ-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333337 1108417906 /nfs/dbraw/zinc/41/79/06/1108417906.db2.gz FKZGNZLWUULRRZ-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333337 1108417908 /nfs/dbraw/zinc/41/79/08/1108417908.db2.gz FKZGNZLWUULRRZ-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333337 1108417912 /nfs/dbraw/zinc/41/79/12/1108417912.db2.gz FKZGNZLWUULRRZ-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001319333337 1108417918 /nfs/dbraw/zinc/41/79/18/1108417918.db2.gz FKZGNZLWUULRRZ-HNAYVOBHSA-N 2 1 302.437 3.477 20 0 DGADMP COc1ccc(C[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC001324752092 1108453202 /nfs/dbraw/zinc/45/32/02/1108453202.db2.gz OXJRLGDVJZUXRM-OAHLLOKOSA-N 2 1 301.434 3.153 20 0 DGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC001324752092 1108453210 /nfs/dbraw/zinc/45/32/10/1108453210.db2.gz OXJRLGDVJZUXRM-OAHLLOKOSA-N 2 1 301.434 3.153 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815477 1108473101 /nfs/dbraw/zinc/47/31/01/1108473101.db2.gz PJQFYRGPGDAVRW-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](COC)c2ccc(Cl)cc2)C1 ZINC001324815477 1108473107 /nfs/dbraw/zinc/47/31/07/1108473107.db2.gz PJQFYRGPGDAVRW-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000390715380 1108676775 /nfs/dbraw/zinc/67/67/75/1108676775.db2.gz KKEDADMWCYDPQV-NEWSRXKRSA-N 2 1 302.462 3.056 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001319961529 1108716365 /nfs/dbraw/zinc/71/63/65/1108716365.db2.gz CNKAJRKVEASEBX-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001319961529 1108716372 /nfs/dbraw/zinc/71/63/72/1108716372.db2.gz CNKAJRKVEASEBX-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319961529 1108716382 /nfs/dbraw/zinc/71/63/82/1108716382.db2.gz CNKAJRKVEASEBX-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319961529 1108716391 /nfs/dbraw/zinc/71/63/91/1108716391.db2.gz CNKAJRKVEASEBX-KRWDZBQOSA-N 2 1 301.478 3.060 20 0 DGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001319961534 1108716720 /nfs/dbraw/zinc/71/67/20/1108716720.db2.gz CNKAJRKVEASEBX-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001319961534 1108716729 /nfs/dbraw/zinc/71/67/29/1108716729.db2.gz CNKAJRKVEASEBX-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319961534 1108716733 /nfs/dbraw/zinc/71/67/33/1108716733.db2.gz CNKAJRKVEASEBX-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001319961534 1108716736 /nfs/dbraw/zinc/71/67/36/1108716736.db2.gz CNKAJRKVEASEBX-QGZVFWFLSA-N 2 1 301.478 3.060 20 0 DGADMP CCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265218222 1108782913 /nfs/dbraw/zinc/78/29/13/1108782913.db2.gz BLBJSJWGMPACNK-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265218222 1108782919 /nfs/dbraw/zinc/78/29/19/1108782919.db2.gz BLBJSJWGMPACNK-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265218222 1108782926 /nfs/dbraw/zinc/78/29/26/1108782926.db2.gz BLBJSJWGMPACNK-INIZCTEOSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266227761 1109133023 /nfs/dbraw/zinc/13/30/23/1109133023.db2.gz WPOHTMNOXFGYCI-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266227761 1109133024 /nfs/dbraw/zinc/13/30/24/1109133024.db2.gz WPOHTMNOXFGYCI-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266227761 1109133026 /nfs/dbraw/zinc/13/30/26/1109133026.db2.gz WPOHTMNOXFGYCI-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP CCN(C)C[C@@H](O)C[N@@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765764 1111336502 /nfs/dbraw/zinc/33/65/02/1111336502.db2.gz DKURYLZPRKZXLA-QZTJIDSGSA-N 2 1 306.494 3.327 20 0 DGADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765764 1111336506 /nfs/dbraw/zinc/33/65/06/1111336506.db2.gz DKURYLZPRKZXLA-QZTJIDSGSA-N 2 1 306.494 3.327 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765764 1111336507 /nfs/dbraw/zinc/33/65/07/1111336507.db2.gz DKURYLZPRKZXLA-QZTJIDSGSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765764 1111336511 /nfs/dbraw/zinc/33/65/11/1111336511.db2.gz DKURYLZPRKZXLA-QZTJIDSGSA-N 2 1 306.494 3.327 20 0 DGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001307765764 1111336514 /nfs/dbraw/zinc/33/65/14/1111336514.db2.gz DKURYLZPRKZXLA-QZTJIDSGSA-N 2 1 306.494 3.327 20 0 DGADMP CCCn1cncc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001308203043 1111397580 /nfs/dbraw/zinc/39/75/80/1111397580.db2.gz CCVFDLKTXLWYKV-CALCHBBNSA-N 2 1 306.498 3.141 20 0 DGADMP CC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308253466 1111405495 /nfs/dbraw/zinc/40/54/95/1111405495.db2.gz XLUATRWINQSTOK-PKOBYXMFSA-N 2 1 317.521 3.359 20 0 DGADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001308258509 1111406235 /nfs/dbraw/zinc/40/62/35/1111406235.db2.gz INCXKVSWORGTKK-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001308258509 1111406238 /nfs/dbraw/zinc/40/62/38/1111406238.db2.gz INCXKVSWORGTKK-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001308258509 1111406240 /nfs/dbraw/zinc/40/62/40/1111406240.db2.gz INCXKVSWORGTKK-PKOBYXMFSA-N 2 1 303.494 3.143 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC001308335933 1111418177 /nfs/dbraw/zinc/41/81/77/1111418177.db2.gz SJVGYCJCKGYNMS-UHFFFAOYSA-N 2 1 317.383 3.247 20 0 DGADMP CCCOc1cccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001308338117 1111418225 /nfs/dbraw/zinc/41/82/25/1111418225.db2.gz WCFCOVGIEOEHSF-UHFFFAOYSA-N 2 1 313.445 3.269 20 0 DGADMP CO[C@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001308589585 1111448427 /nfs/dbraw/zinc/44/84/27/1111448427.db2.gz HMEMGZDLMGIMKA-IEBWSBKVSA-N 2 1 308.510 3.245 20 0 DGADMP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC001308740118 1111468116 /nfs/dbraw/zinc/46/81/16/1111468116.db2.gz NJKYEWIHKVUSPS-UHFFFAOYSA-N 3 1 315.505 3.102 20 0 DGADMP CC1CC[NH+](Cc2ccccc2CNC2CC[NH+](C)CC2)CC1 ZINC001308740118 1111468119 /nfs/dbraw/zinc/46/81/19/1111468119.db2.gz NJKYEWIHKVUSPS-UHFFFAOYSA-N 2 1 315.505 3.102 20 0 DGADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[N@H+]3CCCC3(C)C)CC2)C1 ZINC001308815728 1111479266 /nfs/dbraw/zinc/47/92/66/1111479266.db2.gz PGNDGZOIDUBFJF-PKOBYXMFSA-N 2 1 321.553 3.494 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883506 1111488441 /nfs/dbraw/zinc/48/84/41/1111488441.db2.gz XHNWTWFTJOEQCD-KXBFYZLASA-N 2 1 301.478 3.123 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC001308883506 1111488442 /nfs/dbraw/zinc/48/84/42/1111488442.db2.gz XHNWTWFTJOEQCD-KXBFYZLASA-N 2 1 301.478 3.123 20 0 DGADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1)C[NH+](C)C ZINC001308936297 1111496523 /nfs/dbraw/zinc/49/65/23/1111496523.db2.gz VDLLXDCVEOLSLX-QYZOEREBSA-N 2 1 304.478 3.187 20 0 DGADMP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001316773243 1111735583 /nfs/dbraw/zinc/73/55/83/1111735583.db2.gz UGTRQKPQOJVVQC-DKFQHHCZSA-N 2 1 323.525 3.045 20 0 DGADMP CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316774979 1111762443 /nfs/dbraw/zinc/76/24/43/1111762443.db2.gz XVNRMINCZLAJCF-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCOC(=O)C1([N@@H+](C)CCCCn2ccnc2C)CCCCC1 ZINC000129281662 432003799 /nfs/dbraw/zinc/00/37/99/432003799.db2.gz LZMNYFXEKRTVGP-UHFFFAOYSA-N 2 1 321.465 3.170 20 0 DGADMP CCOC(=O)C1([N@@H+](C)CCCCn2cc[nH+]c2C)CCCCC1 ZINC000129281662 432003803 /nfs/dbraw/zinc/00/38/03/432003803.db2.gz LZMNYFXEKRTVGP-UHFFFAOYSA-N 2 1 321.465 3.170 20 0 DGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000310009537 231109878 /nfs/dbraw/zinc/10/98/78/231109878.db2.gz JMWUJWWJWUTKQN-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000310009537 231109882 /nfs/dbraw/zinc/10/98/82/231109882.db2.gz JMWUJWWJWUTKQN-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000310009537 231109885 /nfs/dbraw/zinc/10/98/85/231109885.db2.gz JMWUJWWJWUTKQN-HSALFYBXSA-N 2 1 314.473 3.009 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432417839 529424774 /nfs/dbraw/zinc/42/47/74/529424774.db2.gz XKWDUDKXVTYGHN-UYAOXDASSA-N 2 1 318.505 3.407 20 0 DGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432417839 529424776 /nfs/dbraw/zinc/42/47/76/529424776.db2.gz XKWDUDKXVTYGHN-UYAOXDASSA-N 2 1 318.505 3.407 20 0 DGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc32)c2ccccc21 ZINC000321620417 231205566 /nfs/dbraw/zinc/20/55/66/231205566.db2.gz IICVOFCHJWNPQQ-RTBURBONSA-N 2 1 307.441 3.174 20 0 DGADMP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000304368324 529427830 /nfs/dbraw/zinc/42/78/30/529427830.db2.gz ZKGNEUDUXKQLBC-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000309671517 529446884 /nfs/dbraw/zinc/44/68/84/529446884.db2.gz HYTZJIRFTWBLLA-RTBURBONSA-N 2 1 302.462 3.198 20 0 DGADMP FC(F)(F)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000063099634 432004760 /nfs/dbraw/zinc/00/47/60/432004760.db2.gz QWUPVHBGIMAMRB-UHFFFAOYSA-N 2 1 300.368 3.236 20 0 DGADMP CCc1ccccc1CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000444648060 529576721 /nfs/dbraw/zinc/57/67/21/529576721.db2.gz MGPNTWZYIVQANX-SFHVURJKSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccccc1CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000444648060 529576725 /nfs/dbraw/zinc/57/67/25/529576725.db2.gz MGPNTWZYIVQANX-SFHVURJKSA-N 2 1 300.490 3.455 20 0 DGADMP CCc1ccccc1CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000444648060 529576728 /nfs/dbraw/zinc/57/67/28/529576728.db2.gz MGPNTWZYIVQANX-SFHVURJKSA-N 2 1 300.490 3.455 20 0 DGADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C(=O)OC)cc1 ZINC000423175328 529591934 /nfs/dbraw/zinc/59/19/34/529591934.db2.gz DROBNVBZZUBNBR-INIZCTEOSA-N 2 1 304.434 3.176 20 0 DGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415064552 529595044 /nfs/dbraw/zinc/59/50/44/529595044.db2.gz KYWWJXAIGJHNRD-KSSFIOAISA-N 2 1 317.477 3.073 20 0 DGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129459988 432005577 /nfs/dbraw/zinc/00/55/77/432005577.db2.gz KTWAVVWAMMXELQ-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129459988 432005575 /nfs/dbraw/zinc/00/55/75/432005575.db2.gz KTWAVVWAMMXELQ-NSHDSACASA-N 2 1 304.331 3.276 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000292992046 529658916 /nfs/dbraw/zinc/65/89/16/529658916.db2.gz MJDHCIBSROUBQB-JQHSSLGASA-N 2 1 304.478 3.179 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)O ZINC000292992046 529658918 /nfs/dbraw/zinc/65/89/18/529658918.db2.gz MJDHCIBSROUBQB-JQHSSLGASA-N 2 1 304.478 3.179 20 0 DGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129459791 432005630 /nfs/dbraw/zinc/00/56/30/432005630.db2.gz KTWAVVWAMMXELQ-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000129459791 432005632 /nfs/dbraw/zinc/00/56/32/432005632.db2.gz KTWAVVWAMMXELQ-LLVKDONJSA-N 2 1 304.331 3.276 20 0 DGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027897 185278798 /nfs/dbraw/zinc/27/87/98/185278798.db2.gz MTSALIHTOWPEGU-IIDMSEBBSA-N 2 1 302.462 3.436 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027897 185278799 /nfs/dbraw/zinc/27/87/99/185278799.db2.gz MTSALIHTOWPEGU-IIDMSEBBSA-N 2 1 302.462 3.436 20 0 DGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000181349113 199284054 /nfs/dbraw/zinc/28/40/54/199284054.db2.gz MKFDPXSNOTUIKV-SFHVURJKSA-N 2 1 317.521 3.440 20 0 DGADMP Cc1ccsc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587383 185327459 /nfs/dbraw/zinc/32/74/59/185327459.db2.gz CZFGGWPNLXMFAK-IYBDPMFKSA-N 2 1 322.518 3.378 20 0 DGADMP Cc1ccsc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000092665679 185332693 /nfs/dbraw/zinc/33/26/93/185332693.db2.gz UQSYMDUZLSKPKP-IRXDYDNUSA-N 2 1 321.534 3.047 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCCO1 ZINC000092821080 185344008 /nfs/dbraw/zinc/34/40/08/185344008.db2.gz FTGWLHKTNICREH-IBGZPJMESA-N 2 1 317.477 3.189 20 0 DGADMP CC1(C)Cc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2O1 ZINC000103340213 432007094 /nfs/dbraw/zinc/00/70/94/432007094.db2.gz VWSPBZRFPDNFRY-UHFFFAOYSA-N 2 1 300.446 3.117 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000295822322 529998829 /nfs/dbraw/zinc/99/88/29/529998829.db2.gz UTUQKLXXQISPCP-WGSAOQKQSA-N 2 1 318.505 3.285 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305624979 530056872 /nfs/dbraw/zinc/05/68/72/530056872.db2.gz JUAJQWZPAXUBKI-CEXWTWQISA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305624979 530056873 /nfs/dbraw/zinc/05/68/73/530056873.db2.gz JUAJQWZPAXUBKI-CEXWTWQISA-N 2 1 320.452 3.198 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305624979 530056874 /nfs/dbraw/zinc/05/68/74/530056874.db2.gz JUAJQWZPAXUBKI-CEXWTWQISA-N 2 1 320.452 3.198 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272660074 210064191 /nfs/dbraw/zinc/06/41/91/210064191.db2.gz HPBXYXUICOYTHE-RSPOEFSDSA-N 2 1 316.489 3.038 20 0 DGADMP Brc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106869048 432022676 /nfs/dbraw/zinc/02/26/76/432022676.db2.gz ZJTXDNLQWFEPLP-WDEREUQCSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106869048 432022678 /nfs/dbraw/zinc/02/26/78/432022678.db2.gz ZJTXDNLQWFEPLP-WDEREUQCSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106869048 432022680 /nfs/dbraw/zinc/02/26/80/432022680.db2.gz ZJTXDNLQWFEPLP-WDEREUQCSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868397 432023287 /nfs/dbraw/zinc/02/32/87/432023287.db2.gz VBVMGVMVXYHHBR-NWDGAFQWSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868397 432023289 /nfs/dbraw/zinc/02/32/89/432023289.db2.gz VBVMGVMVXYHHBR-NWDGAFQWSA-N 2 1 315.280 3.227 20 0 DGADMP Brc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868397 432023291 /nfs/dbraw/zinc/02/32/91/432023291.db2.gz VBVMGVMVXYHHBR-NWDGAFQWSA-N 2 1 315.280 3.227 20 0 DGADMP C[N@H+](CCCn1ccnc1)Cc1csc(-c2ccco2)n1 ZINC000130371435 432023366 /nfs/dbraw/zinc/02/33/66/432023366.db2.gz BPDJXCHRNFIRHG-UHFFFAOYSA-N 2 1 302.403 3.122 20 0 DGADMP C[N@@H+](CCCn1ccnc1)Cc1csc(-c2ccco2)n1 ZINC000130371435 432023368 /nfs/dbraw/zinc/02/33/68/432023368.db2.gz BPDJXCHRNFIRHG-UHFFFAOYSA-N 2 1 302.403 3.122 20 0 DGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1Br ZINC000148967264 186047010 /nfs/dbraw/zinc/04/70/10/186047010.db2.gz KXRBITDDOFYXKA-LLVKDONJSA-N 2 1 308.223 3.305 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000163892557 186141710 /nfs/dbraw/zinc/14/17/10/186141710.db2.gz NCDRLQHEYFVBLQ-KBPBESRZSA-N 2 1 309.417 3.326 20 0 DGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cnccn1 ZINC000163933351 186143126 /nfs/dbraw/zinc/14/31/26/186143126.db2.gz DDMDARUJZPABBJ-INIZCTEOSA-N 2 1 310.445 3.313 20 0 DGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OCC(C)C ZINC000177868749 186196590 /nfs/dbraw/zinc/19/65/90/186196590.db2.gz QRYXNAUULMZSIV-OAHLLOKOSA-N 2 1 320.477 3.475 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000188013832 186243739 /nfs/dbraw/zinc/24/37/39/186243739.db2.gz WEWBVODVEWGXES-LSBZLQRGSA-N 2 1 313.445 3.382 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000268747022 186376407 /nfs/dbraw/zinc/37/64/07/186376407.db2.gz BCEFIYYPBMMJJR-IKGGRYGDSA-N 2 1 318.461 3.371 20 0 DGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000173391617 198210267 /nfs/dbraw/zinc/21/02/67/198210267.db2.gz AXNGDFKOMZAYCF-GOSISDBHSA-N 2 1 323.912 3.408 20 0 DGADMP Fc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1F ZINC000173950514 198272309 /nfs/dbraw/zinc/27/23/09/198272309.db2.gz QZFBMBWEVLFNNX-UHFFFAOYSA-N 2 1 324.415 3.042 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000174514619 198344544 /nfs/dbraw/zinc/34/45/44/198344544.db2.gz VVTPVPNQSLUKBB-GXTWGEPZSA-N 2 1 316.367 3.200 20 0 DGADMP CC(C)Oc1cc(CN(CC[C@H]2CCC[N@H+]2C)C2CC2)ccn1 ZINC000131643487 432041469 /nfs/dbraw/zinc/04/14/69/432041469.db2.gz HTFHIOYVCNFUKT-QGZVFWFLSA-N 2 1 317.477 3.318 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180524159 283064802 /nfs/dbraw/zinc/06/48/02/283064802.db2.gz XZSOADJAIKJNFP-IAGOWNOFSA-N 2 1 304.478 3.462 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180524159 283064806 /nfs/dbraw/zinc/06/48/06/283064806.db2.gz XZSOADJAIKJNFP-IAGOWNOFSA-N 2 1 304.478 3.462 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180524159 283064810 /nfs/dbraw/zinc/06/48/10/283064810.db2.gz XZSOADJAIKJNFP-IAGOWNOFSA-N 2 1 304.478 3.462 20 0 DGADMP NC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000332515890 235051237 /nfs/dbraw/zinc/05/12/37/235051237.db2.gz ADJMSCYOYUFPIP-UHFFFAOYSA-N 2 1 315.461 3.457 20 0 DGADMP CCC[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165339613 432055539 /nfs/dbraw/zinc/05/55/39/432055539.db2.gz QMAUDCSMNXEGOE-INIZCTEOSA-N 2 1 314.433 3.121 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000165885455 432058010 /nfs/dbraw/zinc/05/80/10/432058010.db2.gz SSKBMUARQRLONI-WDSOQIARSA-N 2 1 304.478 3.158 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000165885455 432058012 /nfs/dbraw/zinc/05/80/12/432058012.db2.gz SSKBMUARQRLONI-WDSOQIARSA-N 2 1 304.478 3.158 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081584659 192297113 /nfs/dbraw/zinc/29/71/13/192297113.db2.gz FZIVLVSHIRWCMQ-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081584659 192297114 /nfs/dbraw/zinc/29/71/14/192297114.db2.gz FZIVLVSHIRWCMQ-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000081584659 192297115 /nfs/dbraw/zinc/29/71/15/192297115.db2.gz FZIVLVSHIRWCMQ-SFHVURJKSA-N 2 1 312.461 3.036 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000133346245 432061372 /nfs/dbraw/zinc/06/13/72/432061372.db2.gz SJLWJECPTQTUAT-CYBMUJFWSA-N 2 1 303.837 3.320 20 0 DGADMP CC[N@H+]1CC[C@@H](NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000167855161 432066274 /nfs/dbraw/zinc/06/62/74/432066274.db2.gz FXMXCFZGKUQRPR-ZIFCJYIRSA-N 2 1 317.521 3.436 20 0 DGADMP C[N@H+](Cc1c(C2CC2)nc2sccn12)CC1CC[NH+](C)CC1 ZINC000180054562 199111774 /nfs/dbraw/zinc/11/17/74/199111774.db2.gz USYDHPRHQKQGQZ-UHFFFAOYSA-N 2 1 318.490 3.047 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1F ZINC000180577289 199178730 /nfs/dbraw/zinc/17/87/30/199178730.db2.gz MUXNWQJKIDHUGA-BEFAXECRSA-N 2 1 320.452 3.367 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549803 199174543 /nfs/dbraw/zinc/17/45/43/199174543.db2.gz GMRZJQTWJUPHFX-ZDUSSCGKSA-N 2 1 318.490 3.047 20 0 DGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1C ZINC000415068940 237050390 /nfs/dbraw/zinc/05/03/90/237050390.db2.gz RVWULOXANHFXMF-KBXCAEBGSA-N 2 1 317.477 3.128 20 0 DGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415037702 237021850 /nfs/dbraw/zinc/02/18/50/237021850.db2.gz HDZLZYYCLWTCMJ-DOTOQJQBSA-N 2 1 306.425 3.188 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415037702 237021856 /nfs/dbraw/zinc/02/18/56/237021856.db2.gz HDZLZYYCLWTCMJ-DOTOQJQBSA-N 2 1 306.425 3.188 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CCCO1 ZINC000415105625 237081611 /nfs/dbraw/zinc/08/16/11/237081611.db2.gz IKSALVBMPFHEAJ-KVZIAJEVSA-N 2 1 302.462 3.010 20 0 DGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415077664 237058468 /nfs/dbraw/zinc/05/84/68/237058468.db2.gz HRFAJZWPEZTUSF-BZUAXINKSA-N 2 1 308.853 3.359 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000415127965 237099864 /nfs/dbraw/zinc/09/98/64/237099864.db2.gz NQGVUEWAPSNWMY-JSGCOSHPSA-N 2 1 318.852 3.147 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000187053720 200053108 /nfs/dbraw/zinc/05/31/08/200053108.db2.gz MJBUJLDPQCALBS-AWEZNQCLSA-N 2 1 320.452 3.229 20 0 DGADMP CCCc1cccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)c1 ZINC000187121965 200064915 /nfs/dbraw/zinc/06/49/15/200064915.db2.gz JGBBAGCCPDFUDC-UHFFFAOYSA-N 2 1 317.521 3.146 20 0 DGADMP CCOC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000188692839 200289188 /nfs/dbraw/zinc/28/91/88/200289188.db2.gz ZAFQUMBOEZOHEA-UHFFFAOYSA-N 2 1 322.468 3.237 20 0 DGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324237 237696711 /nfs/dbraw/zinc/69/67/11/237696711.db2.gz HECGYOXOOHDXRG-ROUUACIJSA-N 2 1 302.462 3.004 20 0 DGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000422980629 237815432 /nfs/dbraw/zinc/81/54/32/237815432.db2.gz MCWBPEYBJANNFT-NHCUHLMSSA-N 2 1 306.453 3.484 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189084241 200346004 /nfs/dbraw/zinc/34/60/04/200346004.db2.gz WQWIAACCPMBWBP-UYAOXDASSA-N 2 1 316.489 3.098 20 0 DGADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423327976 237842014 /nfs/dbraw/zinc/84/20/14/237842014.db2.gz RSYJYYJEVPBORM-WBMJQRKESA-N 2 1 315.486 3.430 20 0 DGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174382 216131051 /nfs/dbraw/zinc/13/10/51/216131051.db2.gz ICNUCBNHRMIVNB-RDTXWAMCSA-N 2 1 305.441 3.382 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281174382 216131053 /nfs/dbraw/zinc/13/10/53/216131053.db2.gz ICNUCBNHRMIVNB-RDTXWAMCSA-N 2 1 305.441 3.382 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000429541158 238053727 /nfs/dbraw/zinc/05/37/27/238053727.db2.gz OCZMRBXEIASVEA-CYBMUJFWSA-N 2 1 314.832 3.274 20 0 DGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000429541158 238053728 /nfs/dbraw/zinc/05/37/28/238053728.db2.gz OCZMRBXEIASVEA-CYBMUJFWSA-N 2 1 314.832 3.274 20 0 DGADMP C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@H+](C)Cc1ccccc1 ZINC000429546240 238054334 /nfs/dbraw/zinc/05/43/34/238054334.db2.gz BIXCYXGKDJEOLX-LSDHHAIUSA-N 2 1 311.429 3.165 20 0 DGADMP C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000429546240 238054335 /nfs/dbraw/zinc/05/43/35/238054335.db2.gz BIXCYXGKDJEOLX-LSDHHAIUSA-N 2 1 311.429 3.165 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430572393 238080239 /nfs/dbraw/zinc/08/02/39/238080239.db2.gz OBLUZCNZSUOFLQ-QWHCGFSZSA-N 2 1 316.367 3.143 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2)n1 ZINC000430608109 238081250 /nfs/dbraw/zinc/08/12/50/238081250.db2.gz DOBCTNVHIUGVNV-VQIMIIECSA-N 2 1 312.461 3.191 20 0 DGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2)n1 ZINC000430608109 238081251 /nfs/dbraw/zinc/08/12/51/238081251.db2.gz DOBCTNVHIUGVNV-VQIMIIECSA-N 2 1 312.461 3.191 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430652522 238082618 /nfs/dbraw/zinc/08/26/18/238082618.db2.gz XSRYEQRNUMKTBT-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430652522 238082619 /nfs/dbraw/zinc/08/26/19/238082619.db2.gz XSRYEQRNUMKTBT-NSHDSACASA-N 2 1 303.233 3.043 20 0 DGADMP COCC[N@@H+](C)CCCNCc1ccc(F)c(Cl)c1Cl ZINC000432224486 238122466 /nfs/dbraw/zinc/12/24/66/238122466.db2.gz AILVOUVFUCPEHG-UHFFFAOYSA-N 2 1 323.239 3.190 20 0 DGADMP Cc1ccc(COc2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000435382414 238296011 /nfs/dbraw/zinc/29/60/11/238296011.db2.gz CYRSJQPGZDYYAZ-IBGZPJMESA-N 2 1 310.441 3.355 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000271883850 209294485 /nfs/dbraw/zinc/29/44/85/209294485.db2.gz QDDSNQXVPPPGLM-OAHLLOKOSA-N 2 1 318.461 3.397 20 0 DGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000271874134 209287081 /nfs/dbraw/zinc/28/70/81/209287081.db2.gz NMCRSJVHKLZQOV-GFCCVEGCSA-N 2 1 309.251 3.362 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000442919950 239152062 /nfs/dbraw/zinc/15/20/62/239152062.db2.gz KLTJYDPXNUCBFC-ZDUSSCGKSA-N 2 1 316.367 3.189 20 0 DGADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064847 239169732 /nfs/dbraw/zinc/16/97/32/239169732.db2.gz YZOMKZLVNNQXPE-KGLIPLIRSA-N 2 1 323.868 3.036 20 0 DGADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000443212817 239184198 /nfs/dbraw/zinc/18/41/98/239184198.db2.gz FKNJEENEMFUOKD-XFKSJGNHSA-N 2 1 315.505 3.203 20 0 DGADMP Cc1cc(N2CC[N@H+](C)C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000443431970 239201038 /nfs/dbraw/zinc/20/10/38/239201038.db2.gz SFUHDFSJWMXNMZ-LBPRGKRZSA-N 2 1 321.371 3.285 20 0 DGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275521254 212390618 /nfs/dbraw/zinc/39/06/18/212390618.db2.gz LDGHWAFVVRCDBI-ZBFHGGJFSA-N 2 1 301.409 3.196 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000268542323 432102994 /nfs/dbraw/zinc/10/29/94/432102994.db2.gz LEVCJRJUJAQHDB-IRXDYDNUSA-N 2 1 302.462 3.359 20 0 DGADMP FC(F)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275445760 212338896 /nfs/dbraw/zinc/33/88/96/212338896.db2.gz GEQBPSWLPWDDBY-CVEARBPZSA-N 2 1 319.399 3.302 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449070492 240001861 /nfs/dbraw/zinc/00/18/61/240001861.db2.gz CWLGMNZOXKXVIS-VQTJNVASSA-N 2 1 316.489 3.241 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2F)c1 ZINC000449098820 240016139 /nfs/dbraw/zinc/01/61/39/240016139.db2.gz LDLBVCLCKVBALK-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2F)c1 ZINC000449098820 240016140 /nfs/dbraw/zinc/01/61/40/240016140.db2.gz LDLBVCLCKVBALK-UHFFFAOYSA-N 2 1 301.409 3.351 20 0 DGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449187842 240058585 /nfs/dbraw/zinc/05/85/85/240058585.db2.gz RDKKZPHCDSDMHR-LHHMMCJZSA-N 2 1 318.530 3.484 20 0 DGADMP CSCC1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000449420961 240190711 /nfs/dbraw/zinc/19/07/11/240190711.db2.gz HBSKHJGGULYVGK-UHFFFAOYSA-N 2 1 313.536 3.216 20 0 DGADMP Fc1cc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000449487637 240239491 /nfs/dbraw/zinc/23/94/91/240239491.db2.gz ZRMYKLQEJKNDAR-CHWSQXEVSA-N 2 1 312.816 3.074 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449584205 240303736 /nfs/dbraw/zinc/30/37/36/240303736.db2.gz CQCAMCVNEXCYSC-BTHPGYMESA-N 2 1 316.489 3.180 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449584205 240303743 /nfs/dbraw/zinc/30/37/43/240303743.db2.gz CQCAMCVNEXCYSC-BTHPGYMESA-N 2 1 316.489 3.180 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000449724188 240383901 /nfs/dbraw/zinc/38/39/01/240383901.db2.gz MLWIDWMCVLXMQM-WMZOPIPTSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000449724188 240383904 /nfs/dbraw/zinc/38/39/04/240383904.db2.gz MLWIDWMCVLXMQM-WMZOPIPTSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000449724186 240384043 /nfs/dbraw/zinc/38/40/43/240384043.db2.gz MLWIDWMCVLXMQM-SJLPKXTDSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000449724186 240384046 /nfs/dbraw/zinc/38/40/46/240384046.db2.gz MLWIDWMCVLXMQM-SJLPKXTDSA-N 2 1 318.505 3.426 20 0 DGADMP CCC1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)COC1 ZINC000449600939 240314731 /nfs/dbraw/zinc/31/47/31/240314731.db2.gz PVBVDBWZNQYCEN-UHFFFAOYSA-N 2 1 304.478 3.161 20 0 DGADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000091333620 193041988 /nfs/dbraw/zinc/04/19/88/193041988.db2.gz PRBKGAGHWWQWJV-IBGZPJMESA-N 2 1 303.494 3.001 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2c1 ZINC000092043713 193145448 /nfs/dbraw/zinc/14/54/48/193145448.db2.gz KZXQKXQGZOTOCH-KDOFPFPSSA-N 2 1 314.429 3.358 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000092043713 193145450 /nfs/dbraw/zinc/14/54/50/193145450.db2.gz KZXQKXQGZOTOCH-KDOFPFPSSA-N 2 1 314.429 3.358 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2c1 ZINC000092043713 193145452 /nfs/dbraw/zinc/14/54/52/193145452.db2.gz KZXQKXQGZOTOCH-KDOFPFPSSA-N 2 1 314.429 3.358 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2c1 ZINC000092043712 193146126 /nfs/dbraw/zinc/14/61/26/193146126.db2.gz KZXQKXQGZOTOCH-KSSFIOAISA-N 2 1 314.429 3.358 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000092043712 193146128 /nfs/dbraw/zinc/14/61/28/193146128.db2.gz KZXQKXQGZOTOCH-KSSFIOAISA-N 2 1 314.429 3.358 20 0 DGADMP COc1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2c1 ZINC000092043712 193146130 /nfs/dbraw/zinc/14/61/30/193146130.db2.gz KZXQKXQGZOTOCH-KSSFIOAISA-N 2 1 314.429 3.358 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000451151652 241023951 /nfs/dbraw/zinc/02/39/51/241023951.db2.gz XKMIKHVATPIRFL-ODQAOENWSA-N 2 1 316.489 3.299 20 0 DGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000268611538 432110214 /nfs/dbraw/zinc/11/02/14/432110214.db2.gz ZTMGXAIZPLYMNC-UXHICEINSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000271794032 209221471 /nfs/dbraw/zinc/22/14/71/209221471.db2.gz HLUFLKROFULZIN-UHFFFAOYSA-N 2 1 300.446 3.360 20 0 DGADMP C[C@H]1CCC[C@H](C)C1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594749 283953019 /nfs/dbraw/zinc/95/30/19/283953019.db2.gz PJYJQVASGOPJRC-IRXDYDNUSA-N 2 1 308.510 3.436 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246274945 432114827 /nfs/dbraw/zinc/11/48/27/432114827.db2.gz AMPMUAYPGVEGOX-PKOBYXMFSA-N 2 1 316.493 3.002 20 0 DGADMP c1cnn(CCCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246274945 432114830 /nfs/dbraw/zinc/11/48/30/432114830.db2.gz AMPMUAYPGVEGOX-PKOBYXMFSA-N 2 1 316.493 3.002 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253363 193180663 /nfs/dbraw/zinc/18/06/63/193180663.db2.gz QFPHBNALAPQUBG-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253363 193180665 /nfs/dbraw/zinc/18/06/65/193180665.db2.gz QFPHBNALAPQUBG-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253363 193180667 /nfs/dbraw/zinc/18/06/67/193180667.db2.gz QFPHBNALAPQUBG-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253363 193180668 /nfs/dbraw/zinc/18/06/68/193180668.db2.gz QFPHBNALAPQUBG-MRXNPFEDSA-N 2 1 312.461 3.159 20 0 DGADMP c1cc(C[NH2+]Cc2cnc(C3CC3)nc2)cc(C[NH+]2CCCC2)c1 ZINC000459474828 243384414 /nfs/dbraw/zinc/38/44/14/243384414.db2.gz ZDDGPPSWKUOGQD-UHFFFAOYSA-N 2 1 322.456 3.240 20 0 DGADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000469080541 244082358 /nfs/dbraw/zinc/08/23/58/244082358.db2.gz PZATWEPYTBJLMQ-FHWLQOOXSA-N 2 1 309.542 3.207 20 0 DGADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)s2)cc1 ZINC000469856733 244129916 /nfs/dbraw/zinc/12/99/16/244129916.db2.gz PHOHHVBUISGMGR-KBPBESRZSA-N 2 1 301.459 3.288 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000469866855 244130684 /nfs/dbraw/zinc/13/06/84/244130684.db2.gz OUWGMMIUUNSDOG-AEFFLSMTSA-N 2 1 310.441 3.435 20 0 DGADMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000469991516 244137490 /nfs/dbraw/zinc/13/74/90/244137490.db2.gz JRHRXSSZNXHIPF-UHFFFAOYSA-N 2 1 317.260 3.433 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000470108036 244143500 /nfs/dbraw/zinc/14/35/00/244143500.db2.gz SCRNAQNKDVGDPH-JCGIZDLHSA-N 2 1 320.452 3.229 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000470108036 244143504 /nfs/dbraw/zinc/14/35/04/244143504.db2.gz SCRNAQNKDVGDPH-JCGIZDLHSA-N 2 1 320.452 3.229 20 0 DGADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000093088775 193202278 /nfs/dbraw/zinc/20/22/78/193202278.db2.gz CAHDGJLPZLQOES-UHFFFAOYSA-N 2 1 312.404 3.104 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000470258239 244162307 /nfs/dbraw/zinc/16/23/07/244162307.db2.gz GEPUANCHMAGKRL-LZWOXQAQSA-N 2 1 308.441 3.085 20 0 DGADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471014024 244202457 /nfs/dbraw/zinc/20/24/57/244202457.db2.gz YXAHRZRJNMOJIH-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471014024 244202460 /nfs/dbraw/zinc/20/24/60/244202460.db2.gz YXAHRZRJNMOJIH-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471014024 244202465 /nfs/dbraw/zinc/20/24/65/244202465.db2.gz YXAHRZRJNMOJIH-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471014024 244202469 /nfs/dbraw/zinc/20/24/69/244202469.db2.gz YXAHRZRJNMOJIH-BGYRXZFFSA-N 2 1 322.452 3.259 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000472289691 244296067 /nfs/dbraw/zinc/29/60/67/244296067.db2.gz DANNTOHGXWTXPG-QGZVFWFLSA-N 2 1 324.896 3.315 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000471867012 244261687 /nfs/dbraw/zinc/26/16/87/244261687.db2.gz YWXBCZWAAAYSDZ-SFTDATJTSA-N 2 1 323.484 3.296 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Br)c1 ZINC000275058570 212098903 /nfs/dbraw/zinc/09/89/03/212098903.db2.gz YIQKLOFGZXPHRR-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Br)c1 ZINC000275058570 212098905 /nfs/dbraw/zinc/09/89/05/212098905.db2.gz YIQKLOFGZXPHRR-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058570 212098900 /nfs/dbraw/zinc/09/89/00/212098900.db2.gz YIQKLOFGZXPHRR-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1 ZINC000275058570 212098901 /nfs/dbraw/zinc/09/89/01/212098901.db2.gz YIQKLOFGZXPHRR-DOMZBBRYSA-N 2 1 311.267 3.221 20 0 DGADMP Cc1cccnc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093171795 193210819 /nfs/dbraw/zinc/21/08/19/193210819.db2.gz XZDPRJUIYSRHDD-GOSISDBHSA-N 2 1 301.478 3.478 20 0 DGADMP Cc1cccnc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093171795 193210820 /nfs/dbraw/zinc/21/08/20/193210820.db2.gz XZDPRJUIYSRHDD-GOSISDBHSA-N 2 1 301.478 3.478 20 0 DGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000093482858 193258795 /nfs/dbraw/zinc/25/87/95/193258795.db2.gz MYDMOKGIXQYUPE-IEBWSBKVSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093482858 193258796 /nfs/dbraw/zinc/25/87/96/193258796.db2.gz MYDMOKGIXQYUPE-IEBWSBKVSA-N 2 1 318.505 3.380 20 0 DGADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093482858 193258798 /nfs/dbraw/zinc/25/87/98/193258798.db2.gz MYDMOKGIXQYUPE-IEBWSBKVSA-N 2 1 318.505 3.380 20 0 DGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccs2)CC1 ZINC000093769411 193303570 /nfs/dbraw/zinc/30/35/70/193303570.db2.gz KZIBXULMWJIOGW-UHFFFAOYSA-N 2 1 310.507 3.319 20 0 DGADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CCCC2)c1 ZINC000482823594 244821298 /nfs/dbraw/zinc/82/12/98/244821298.db2.gz SOXUGCKBYBYRDL-VQIMIIECSA-N 2 1 316.489 3.437 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121241325 284191968 /nfs/dbraw/zinc/19/19/68/284191968.db2.gz ISMOSTQXCAQXJT-HCXYKTFWSA-N 2 1 320.521 3.436 20 0 DGADMP C(CC1CC[NH+](Cc2nnc(C3CC3)o2)CC1)C[NH+]1CCCC1 ZINC000121647810 284202901 /nfs/dbraw/zinc/20/29/01/284202901.db2.gz SUUNGJFNICQMAO-UHFFFAOYSA-N 2 1 318.465 3.035 20 0 DGADMP Cc1nnc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121896973 284208093 /nfs/dbraw/zinc/20/80/93/284208093.db2.gz MFSKMNFKHRILRJ-AWEZNQCLSA-N 2 1 306.454 3.027 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C/C=C/c2ccncc2)C1 ZINC000486964213 245005759 /nfs/dbraw/zinc/00/57/59/245005759.db2.gz HIPNUIGSSNJOIQ-FBLDJFESSA-N 2 1 301.478 3.443 20 0 DGADMP Cc1cccc(N2CCC([NH2+]C/C=C/c3ccncc3)CC2)[nH+]1 ZINC000487268676 245041220 /nfs/dbraw/zinc/04/12/20/245041220.db2.gz DDWRLSNBYKJTSC-HWKANZROSA-N 2 1 308.429 3.057 20 0 DGADMP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487268860 245041229 /nfs/dbraw/zinc/04/12/29/245041229.db2.gz HKBRSRBMYBXYFC-HXRGIAOBSA-N 2 1 321.468 3.249 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318709 245177029 /nfs/dbraw/zinc/17/70/29/245177029.db2.gz XVHIFVAGVFJNSU-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318709 245177031 /nfs/dbraw/zinc/17/70/31/245177031.db2.gz XVHIFVAGVFJNSU-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318709 245177036 /nfs/dbraw/zinc/17/70/36/245177036.db2.gz XVHIFVAGVFJNSU-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H](C)C1 ZINC000488318709 245177038 /nfs/dbraw/zinc/17/70/38/245177038.db2.gz XVHIFVAGVFJNSU-SCLBCKFNSA-N 2 1 303.425 3.469 20 0 DGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000246355748 432124154 /nfs/dbraw/zinc/12/41/54/432124154.db2.gz WRCAMLCRUMYHNS-YJBOKZPZSA-N 2 1 313.445 3.462 20 0 DGADMP COc1ccc2oc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)cc2c1 ZINC000126372200 284302530 /nfs/dbraw/zinc/30/25/30/284302530.db2.gz YNCUNMBBJSHLMN-CABCVRRESA-N 2 1 302.418 3.404 20 0 DGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](COC)Cc1ccccc1 ZINC000127387529 284337704 /nfs/dbraw/zinc/33/77/04/284337704.db2.gz ZABMHOXONWGWCL-LJQANCHMSA-N 2 1 315.461 3.161 20 0 DGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](COC)Cc1ccccc1 ZINC000127387529 284337707 /nfs/dbraw/zinc/33/77/07/284337707.db2.gz ZABMHOXONWGWCL-LJQANCHMSA-N 2 1 315.461 3.161 20 0 DGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000282756363 217227863 /nfs/dbraw/zinc/22/78/63/217227863.db2.gz VMDVQWZPXWBXRG-YJBOKZPZSA-N 2 1 324.896 3.098 20 0 DGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(-c2cnn(C)c2)c1 ZINC000282766238 217234412 /nfs/dbraw/zinc/23/44/12/217234412.db2.gz WMTZMAYMPAHNNH-UHFFFAOYSA-N 2 1 314.477 3.215 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194027331 284355211 /nfs/dbraw/zinc/35/52/11/284355211.db2.gz IKLRCMORKQASGD-CEXWTWQISA-N 2 1 314.473 3.186 20 0 DGADMP Cn1cc(-c2ccc(C[N@H+](C)CCC[NH+]3CCCC3)s2)cn1 ZINC000282937332 217337522 /nfs/dbraw/zinc/33/75/22/217337522.db2.gz GEWJNXMLOZRUEZ-UHFFFAOYSA-N 2 1 318.490 3.066 20 0 DGADMP Cn1cc(-c2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)s2)cn1 ZINC000282937332 217337523 /nfs/dbraw/zinc/33/75/23/217337523.db2.gz GEWJNXMLOZRUEZ-UHFFFAOYSA-N 2 1 318.490 3.066 20 0 DGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246438874 432129718 /nfs/dbraw/zinc/12/97/18/432129718.db2.gz OJKQKZABWIHIKZ-YIOZNXECSA-N 2 1 304.478 3.192 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894299 246094405 /nfs/dbraw/zinc/09/44/05/246094405.db2.gz MXUVZPUAOMQKNL-NCXUSEDFSA-N 2 1 318.505 3.188 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493894299 246094408 /nfs/dbraw/zinc/09/44/08/246094408.db2.gz MXUVZPUAOMQKNL-NCXUSEDFSA-N 2 1 318.505 3.188 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000495042578 246225976 /nfs/dbraw/zinc/22/59/76/246225976.db2.gz HJOMTTBUOKMANA-ZAWLATJESA-N 2 1 304.478 3.330 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000495042578 246225980 /nfs/dbraw/zinc/22/59/80/246225980.db2.gz HJOMTTBUOKMANA-ZAWLATJESA-N 2 1 304.478 3.330 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246482092 432136392 /nfs/dbraw/zinc/13/63/92/432136392.db2.gz WVYNAJRDYATTFC-SWLSCSKDSA-N 2 1 311.267 3.269 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000268804000 432138465 /nfs/dbraw/zinc/13/84/65/432138465.db2.gz FFGDRSGTFMHIMU-PXNSSMCTSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000268804000 432138472 /nfs/dbraw/zinc/13/84/72/432138472.db2.gz FFGDRSGTFMHIMU-PXNSSMCTSA-N 2 1 324.468 3.435 20 0 DGADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246525610 432140610 /nfs/dbraw/zinc/14/06/10/432140610.db2.gz UZGQBBVQPZZYLS-VQTJNVASSA-N 2 1 318.505 3.202 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000181664519 432142330 /nfs/dbraw/zinc/14/23/30/432142330.db2.gz KQVGMQRDHDLAPD-RRENTHDGSA-N 3 1 307.526 3.102 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000181664519 432142337 /nfs/dbraw/zinc/14/23/37/432142337.db2.gz KQVGMQRDHDLAPD-RRENTHDGSA-N 3 1 307.526 3.102 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2Br)CC[N@H+]1C ZINC000268823922 432143352 /nfs/dbraw/zinc/14/33/52/432143352.db2.gz QGUXWOFGRLGCJZ-TZMCWYRMSA-N 2 1 311.267 3.064 20 0 DGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268889089 432146069 /nfs/dbraw/zinc/14/60/69/432146069.db2.gz ZQHCSRKJOSUUOU-NVXWUHKLSA-N 2 1 322.518 3.294 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)C)cc1 ZINC000268889554 432147528 /nfs/dbraw/zinc/14/75/28/432147528.db2.gz MDPCUYLDYCOAQB-KSSFIOAISA-N 2 1 301.434 3.238 20 0 DGADMP C[N@@H+](Cc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746534 183129081 /nfs/dbraw/zinc/12/90/81/183129081.db2.gz IBHSZRDNFJRIPJ-YIONKMFJSA-N 2 1 309.251 3.164 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000042300300 183251378 /nfs/dbraw/zinc/25/13/78/183251378.db2.gz PZWHNBXTRHIGHN-JMSVASOKSA-N 2 1 311.267 3.267 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000042300311 183251784 /nfs/dbraw/zinc/25/17/84/183251784.db2.gz PZWHNBXTRHIGHN-TYNCELHUSA-N 2 1 311.267 3.267 20 0 DGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000042681382 183295888 /nfs/dbraw/zinc/29/58/88/183295888.db2.gz LAJHUCIATUNGNN-UHFFFAOYSA-N 2 1 311.267 3.365 20 0 DGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000042681382 183295891 /nfs/dbraw/zinc/29/58/91/183295891.db2.gz LAJHUCIATUNGNN-UHFFFAOYSA-N 2 1 311.267 3.365 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cc(Br)ccc1F ZINC000105480824 194105295 /nfs/dbraw/zinc/10/52/95/194105295.db2.gz CQLWVVZCYOJQKG-YGRLFVJLSA-N 2 1 315.230 3.018 20 0 DGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000105480824 194105299 /nfs/dbraw/zinc/10/52/99/194105299.db2.gz CQLWVVZCYOJQKG-YGRLFVJLSA-N 2 1 315.230 3.018 20 0 DGADMP CC(C)[N@H+](C)Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000273866543 211126565 /nfs/dbraw/zinc/12/65/65/211126565.db2.gz NIHHPNOQNGENBD-UHFFFAOYSA-N 2 1 314.433 3.173 20 0 DGADMP CC(C)[N@@H+](C)Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000273866543 211126568 /nfs/dbraw/zinc/12/65/68/211126568.db2.gz NIHHPNOQNGENBD-UHFFFAOYSA-N 2 1 314.433 3.173 20 0 DGADMP CC[C@H](O)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284943811 218244677 /nfs/dbraw/zinc/24/46/77/218244677.db2.gz DXJYDUARQHLCIR-ACBHZAAOSA-N 2 1 304.478 3.180 20 0 DGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268849211 207015335 /nfs/dbraw/zinc/01/53/35/207015335.db2.gz XRZWMEWZAPVZMS-CQSZACIVSA-N 2 1 309.417 3.036 20 0 DGADMP CCc1nc2c(s1)[C@H]([NH2+]CCCn1cc[nH+]c1C)CCC2 ZINC000268850106 207018716 /nfs/dbraw/zinc/01/87/16/207018716.db2.gz KDTZNGFQDIVFCE-CYBMUJFWSA-N 2 1 304.463 3.268 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422886766 296314249 /nfs/dbraw/zinc/31/42/49/296314249.db2.gz XNPWZEKXYUJFEH-HLIPFELVSA-N 3 1 315.505 3.278 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000268889467 207058051 /nfs/dbraw/zinc/05/80/51/207058051.db2.gz JEIOTFIKLFDILH-PBGAUENZSA-N 2 1 312.457 3.192 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269022871 207173493 /nfs/dbraw/zinc/17/34/93/207173493.db2.gz BZUBPWQDKSJNDX-MNEFBYGVSA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269022871 207173497 /nfs/dbraw/zinc/17/34/97/207173497.db2.gz BZUBPWQDKSJNDX-MNEFBYGVSA-N 2 1 302.462 3.054 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000269038619 207188045 /nfs/dbraw/zinc/18/80/45/207188045.db2.gz WHHIPCWFJRZKOF-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000269038619 207188047 /nfs/dbraw/zinc/18/80/47/207188047.db2.gz WHHIPCWFJRZKOF-FXAWDEMLSA-N 2 1 309.457 3.267 20 0 DGADMP CC1CC[NH+](CCC[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062705945 184248899 /nfs/dbraw/zinc/24/88/99/184248899.db2.gz KVWUUCBMLGNACO-UHFFFAOYSA-N 2 1 300.368 3.316 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)([NH+](C)C)C1 ZINC000248655194 285015107 /nfs/dbraw/zinc/01/51/07/285015107.db2.gz BGMVVQKCVUCEAP-SFFUCWETSA-N 2 1 306.494 3.044 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC000248822762 285028221 /nfs/dbraw/zinc/02/82/21/285028221.db2.gz YDXSGSPZJPUJQY-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)c2ccc(Cl)cc2)C1 ZINC000248822762 285028223 /nfs/dbraw/zinc/02/82/23/285028223.db2.gz YDXSGSPZJPUJQY-RHSMWYFYSA-N 2 1 310.869 3.349 20 0 DGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000119666901 195013617 /nfs/dbraw/zinc/01/36/17/195013617.db2.gz NMFFMWLXDXYQNN-QGZVFWFLSA-N 2 1 316.445 3.125 20 0 DGADMP CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249407566 285072935 /nfs/dbraw/zinc/07/29/35/285072935.db2.gz UPVHFLNDZIBNQE-ZCNNSNEGSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249407566 285072936 /nfs/dbraw/zinc/07/29/36/285072936.db2.gz UPVHFLNDZIBNQE-ZCNNSNEGSA-N 2 1 316.489 3.134 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249407566 285072937 /nfs/dbraw/zinc/07/29/37/285072937.db2.gz UPVHFLNDZIBNQE-ZCNNSNEGSA-N 2 1 316.489 3.134 20 0 DGADMP CC(C)OCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336722317 253000060 /nfs/dbraw/zinc/00/00/60/253000060.db2.gz VSAPBQMCLYYALR-UXHICEINSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336722317 253000062 /nfs/dbraw/zinc/00/00/62/253000062.db2.gz VSAPBQMCLYYALR-UXHICEINSA-N 2 1 316.489 3.255 20 0 DGADMP CC(C)OCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336722317 253000065 /nfs/dbraw/zinc/00/00/65/253000065.db2.gz VSAPBQMCLYYALR-UXHICEINSA-N 2 1 316.489 3.255 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1OC(C)C ZINC000336855318 253008656 /nfs/dbraw/zinc/00/86/56/253008656.db2.gz WFKGTXVDGJYXFX-GOEBONIOSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000336855318 253008659 /nfs/dbraw/zinc/00/86/59/253008659.db2.gz WFKGTXVDGJYXFX-GOEBONIOSA-N 2 1 306.450 3.055 20 0 DGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000336855318 253008661 /nfs/dbraw/zinc/00/86/61/253008661.db2.gz WFKGTXVDGJYXFX-GOEBONIOSA-N 2 1 306.450 3.055 20 0 DGADMP c1ccc(CC[NH+]2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC000120142235 195105426 /nfs/dbraw/zinc/10/54/26/195105426.db2.gz NOIHZXSKMUIYJJ-UHFFFAOYSA-N 2 1 324.468 3.362 20 0 DGADMP CC[N@H+](CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C)C(C)C ZINC000337386682 253103387 /nfs/dbraw/zinc/10/33/87/253103387.db2.gz LPWFQEIFQLBEOM-MRXNPFEDSA-N 2 1 322.493 3.263 20 0 DGADMP CC[N@@H+](CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C)C(C)C ZINC000337386682 253103389 /nfs/dbraw/zinc/10/33/89/253103389.db2.gz LPWFQEIFQLBEOM-MRXNPFEDSA-N 2 1 322.493 3.263 20 0 DGADMP CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435378689 285092545 /nfs/dbraw/zinc/09/25/45/285092545.db2.gz FTJBNYMUFJCSNA-INIZCTEOSA-N 2 1 306.498 3.219 20 0 DGADMP CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435378689 285092546 /nfs/dbraw/zinc/09/25/46/285092546.db2.gz FTJBNYMUFJCSNA-INIZCTEOSA-N 2 1 306.498 3.219 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000338013520 253210178 /nfs/dbraw/zinc/21/01/78/253210178.db2.gz UTZHTCBTRRUCAS-LJQANCHMSA-N 2 1 324.403 3.495 20 0 DGADMP COc1cc(C)c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000338024857 253212332 /nfs/dbraw/zinc/21/23/32/253212332.db2.gz ZXOZRCTXSIXFCP-AWEZNQCLSA-N 2 1 317.433 3.258 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000337947249 253198629 /nfs/dbraw/zinc/19/86/29/253198629.db2.gz CCNRWOGJJXMVJO-UHFFFAOYSA-N 2 1 313.323 3.270 20 0 DGADMP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302081 253261322 /nfs/dbraw/zinc/26/13/22/253261322.db2.gz IJYBWKJMWOUMJE-ICSRJNTNSA-N 2 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000338302081 253261325 /nfs/dbraw/zinc/26/13/25/253261325.db2.gz IJYBWKJMWOUMJE-ICSRJNTNSA-N 3 1 317.521 3.219 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338302081 253261326 /nfs/dbraw/zinc/26/13/26/253261326.db2.gz IJYBWKJMWOUMJE-ICSRJNTNSA-N 3 1 317.521 3.219 20 0 DGADMP C[C@@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000338216601 253244555 /nfs/dbraw/zinc/24/45/55/253244555.db2.gz QXAVHIFNFYUAJS-FXAWDEMLSA-N 2 1 324.472 3.082 20 0 DGADMP CC(C)CCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000338425241 253285971 /nfs/dbraw/zinc/28/59/71/253285971.db2.gz ZEKIXDWFOPQNAV-KRWDZBQOSA-N 2 1 304.478 3.433 20 0 DGADMP CC(C)CCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000338425241 253285973 /nfs/dbraw/zinc/28/59/73/253285973.db2.gz ZEKIXDWFOPQNAV-KRWDZBQOSA-N 2 1 304.478 3.433 20 0 DGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000338432485 253286047 /nfs/dbraw/zinc/28/60/47/253286047.db2.gz WRJHHXZEBBCJER-RTBURBONSA-N 2 1 324.472 3.112 20 0 DGADMP OCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159015141 197319082 /nfs/dbraw/zinc/31/90/82/197319082.db2.gz JIMKBDZDNCNMFA-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP OCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159015141 197319084 /nfs/dbraw/zinc/31/90/84/197319084.db2.gz JIMKBDZDNCNMFA-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP OCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159015141 197319086 /nfs/dbraw/zinc/31/90/86/197319086.db2.gz JIMKBDZDNCNMFA-UXHICEINSA-N 2 1 316.489 3.136 20 0 DGADMP COC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000338969341 253381287 /nfs/dbraw/zinc/38/12/87/253381287.db2.gz XPSWMQYYLGOHFQ-DAWZGUTISA-N 2 1 302.462 3.054 20 0 DGADMP COC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000338969341 253381289 /nfs/dbraw/zinc/38/12/89/253381289.db2.gz XPSWMQYYLGOHFQ-DAWZGUTISA-N 2 1 302.462 3.054 20 0 DGADMP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000422919712 533097777 /nfs/dbraw/zinc/09/77/77/533097777.db2.gz KESRJOLDGKROEG-JLSDUUJJSA-N 2 1 308.441 3.414 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158521290 197280313 /nfs/dbraw/zinc/28/03/13/197280313.db2.gz XQNAFDITASVHKZ-QAPCUYQASA-N 2 1 306.425 3.011 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158521290 197280314 /nfs/dbraw/zinc/28/03/14/197280314.db2.gz XQNAFDITASVHKZ-QAPCUYQASA-N 2 1 306.425 3.011 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158521290 197280316 /nfs/dbraw/zinc/28/03/16/197280316.db2.gz XQNAFDITASVHKZ-QAPCUYQASA-N 2 1 306.425 3.011 20 0 DGADMP C[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000342570513 254009594 /nfs/dbraw/zinc/00/95/94/254009594.db2.gz CIIUUDCRDIZASU-CQSZACIVSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000342570513 254009596 /nfs/dbraw/zinc/00/95/96/254009596.db2.gz CIIUUDCRDIZASU-CQSZACIVSA-N 2 1 311.267 3.223 20 0 DGADMP C[NH+](Cc1ccc(Br)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342570513 254009597 /nfs/dbraw/zinc/00/95/97/254009597.db2.gz CIIUUDCRDIZASU-CQSZACIVSA-N 2 1 311.267 3.223 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342604180 254017128 /nfs/dbraw/zinc/01/71/28/254017128.db2.gz YOAPVECCJYTYOB-QZTJIDSGSA-N 2 1 313.445 3.417 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC3(C)C)CC2)oc1C ZINC000342689827 254033168 /nfs/dbraw/zinc/03/31/68/254033168.db2.gz OYMBCZBCXKEGTP-MRXNPFEDSA-N 2 1 305.466 3.282 20 0 DGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000342697911 254034418 /nfs/dbraw/zinc/03/44/18/254034418.db2.gz LEZFEXDDMUTPPX-ZWKOTPCHSA-N 2 1 304.478 3.474 20 0 DGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000342697911 254034422 /nfs/dbraw/zinc/03/44/22/254034422.db2.gz LEZFEXDDMUTPPX-ZWKOTPCHSA-N 2 1 304.478 3.474 20 0 DGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777672 254047427 /nfs/dbraw/zinc/04/74/27/254047427.db2.gz IARKFGDKRSLGGW-GDBMZVCRSA-N 2 1 304.482 3.079 20 0 DGADMP CCC[C@H]1CN(c2ccnc(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000342789416 254050325 /nfs/dbraw/zinc/05/03/25/254050325.db2.gz BLEMMFKHHYQOQO-SFHVURJKSA-N 2 1 310.445 3.276 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000342812701 254057332 /nfs/dbraw/zinc/05/73/32/254057332.db2.gz MDGXXWWCABWGDF-GJZGRUSLSA-N 2 1 308.853 3.455 20 0 DGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000342812701 254057333 /nfs/dbraw/zinc/05/73/33/254057333.db2.gz MDGXXWWCABWGDF-GJZGRUSLSA-N 2 1 308.853 3.455 20 0 DGADMP CCOC(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000343548923 254159375 /nfs/dbraw/zinc/15/93/75/254159375.db2.gz JLTJTDVCOXMCDB-QGZVFWFLSA-N 2 1 324.509 3.306 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000157300922 197177945 /nfs/dbraw/zinc/17/79/45/197177945.db2.gz LGHUXJFLLLELAY-VQIMIIECSA-N 2 1 322.468 3.095 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000343991390 254209892 /nfs/dbraw/zinc/20/98/92/254209892.db2.gz QDMDSFBKCZKMJE-YESZJQIVSA-N 2 1 306.498 3.156 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000343991390 254209893 /nfs/dbraw/zinc/20/98/93/254209893.db2.gz QDMDSFBKCZKMJE-YESZJQIVSA-N 2 1 306.498 3.156 20 0 DGADMP C[C@H]1C[C@@H](NCc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664928 254294338 /nfs/dbraw/zinc/29/43/38/254294338.db2.gz JMCGNSTZLUVYAV-AAEUAGOBSA-N 2 1 307.488 3.444 20 0 DGADMP C[C@H]1C[C@H](NCc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664930 254294370 /nfs/dbraw/zinc/29/43/70/254294370.db2.gz JMCGNSTZLUVYAV-WCQYABFASA-N 2 1 307.488 3.444 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000344611830 254288666 /nfs/dbraw/zinc/28/86/66/254288666.db2.gz BVTDFRUHMPDXSA-GDBMZVCRSA-N 2 1 306.450 3.056 20 0 DGADMP CCCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000344611830 254288667 /nfs/dbraw/zinc/28/86/67/254288667.db2.gz BVTDFRUHMPDXSA-GDBMZVCRSA-N 2 1 306.450 3.056 20 0 DGADMP CO[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000344735656 254301160 /nfs/dbraw/zinc/30/11/60/254301160.db2.gz BDDOBHWROBWFJL-SFHVURJKSA-N 2 1 306.494 3.405 20 0 DGADMP Cc1c([C@H](C)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cnn1C(C)(C)C ZINC000345320488 254353021 /nfs/dbraw/zinc/35/30/21/254353021.db2.gz YUXPWHIROPXMSZ-IGCXYCKISA-N 2 1 304.482 3.080 20 0 DGADMP Cc1c([C@H](C)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cnn1C(C)(C)C ZINC000345320488 254353023 /nfs/dbraw/zinc/35/30/23/254353023.db2.gz YUXPWHIROPXMSZ-IGCXYCKISA-N 2 1 304.482 3.080 20 0 DGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)nc1 ZINC000261817266 285192636 /nfs/dbraw/zinc/19/26/36/285192636.db2.gz ICMXEBHQDWIUKM-RDJZCZTQSA-N 2 1 310.445 3.019 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000261820006 285193410 /nfs/dbraw/zinc/19/34/10/285193410.db2.gz ARFHNWJJDFSQIA-FGTMMUONSA-N 3 1 307.526 3.150 20 0 DGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272195324 285209552 /nfs/dbraw/zinc/20/95/52/285209552.db2.gz NLEUGCYZVZZELJ-WMLDXEAASA-N 2 1 315.486 3.452 20 0 DGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195324 285209557 /nfs/dbraw/zinc/20/95/57/285209557.db2.gz NLEUGCYZVZZELJ-WMLDXEAASA-N 2 1 315.486 3.452 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294805373 224234250 /nfs/dbraw/zinc/23/42/50/224234250.db2.gz PSPGODKDLZFZHW-CHWSQXEVSA-N 2 1 307.388 3.499 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)CCCO)cc1 ZINC000294808915 224235033 /nfs/dbraw/zinc/23/50/33/224235033.db2.gz NPLNKGGGBWPNGJ-LSDHHAIUSA-N 2 1 301.434 3.240 20 0 DGADMP OCC[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411571895 285266423 /nfs/dbraw/zinc/26/64/23/285266423.db2.gz PZOAJHVMUIBOIZ-LJQANCHMSA-N 2 1 302.462 3.019 20 0 DGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000248154223 285273804 /nfs/dbraw/zinc/27/38/04/285273804.db2.gz RESCCIOZWHXAAE-ICSRJNTNSA-N 2 1 316.489 3.281 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000271577322 209026326 /nfs/dbraw/zinc/02/63/26/209026326.db2.gz QNWPAXXPAFOHBA-RKVPGOIHSA-N 2 1 304.453 3.467 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000271577328 209027549 /nfs/dbraw/zinc/02/75/49/209027549.db2.gz QNWPAXXPAFOHBA-VKJFTORMSA-N 2 1 304.453 3.467 20 0 DGADMP CC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000289597667 221093385 /nfs/dbraw/zinc/09/33/85/221093385.db2.gz BJDUOWAHQIDXPK-AKHDSKFASA-N 2 1 302.462 3.197 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858791 221275100 /nfs/dbraw/zinc/27/51/00/221275100.db2.gz RLRRKBMMRPSSPG-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000289858791 221275102 /nfs/dbraw/zinc/27/51/02/221275102.db2.gz RLRRKBMMRPSSPG-CXAGYDPISA-N 2 1 308.853 3.101 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC000289882950 221290984 /nfs/dbraw/zinc/29/09/84/221290984.db2.gz SQIOKYNVQKXDEY-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2)C1 ZINC000289882950 221290988 /nfs/dbraw/zinc/29/09/88/221290988.db2.gz SQIOKYNVQKXDEY-WMLDXEAASA-N 2 1 310.869 3.349 20 0 DGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2cnn(C)c2)c1 ZINC000295005528 224373521 /nfs/dbraw/zinc/37/35/21/224373521.db2.gz LQEHFOZSXBYYNU-YQQQUEKLSA-N 2 1 324.472 3.110 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535728 285353720 /nfs/dbraw/zinc/35/37/20/285353720.db2.gz UWGWXCCTQNKRQN-IBGZPJMESA-N 2 1 300.446 3.051 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535728 285353725 /nfs/dbraw/zinc/35/37/25/285353725.db2.gz UWGWXCCTQNKRQN-IBGZPJMESA-N 2 1 300.446 3.051 20 0 DGADMP [NH3+]CCC[N@H+](Cc1ncccc1C(F)(F)F)CC1CCCC1 ZINC000352540971 285355957 /nfs/dbraw/zinc/35/59/57/285355957.db2.gz RUWXQPKYKLQNEC-UHFFFAOYSA-N 2 1 315.383 3.441 20 0 DGADMP Cc1nc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC000352541001 285355964 /nfs/dbraw/zinc/35/59/64/285355964.db2.gz SBVBMHLQMHQXSE-KRWDZBQOSA-N 2 1 301.459 3.180 20 0 DGADMP Cc1nc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC000352541001 285355967 /nfs/dbraw/zinc/35/59/67/285355967.db2.gz SBVBMHLQMHQXSE-KRWDZBQOSA-N 2 1 301.459 3.180 20 0 DGADMP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802682 533341807 /nfs/dbraw/zinc/34/18/07/533341807.db2.gz SKWVJXHDIZLQJF-MTNOOBJLSA-N 2 1 316.489 3.443 20 0 DGADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589712 533356950 /nfs/dbraw/zinc/35/69/50/533356950.db2.gz GSOFNFCVWIWQSJ-INIZCTEOSA-N 2 1 324.509 3.305 20 0 DGADMP COc1cccc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292979740 533452861 /nfs/dbraw/zinc/45/28/61/533452861.db2.gz MYTNFQOOWSFQQC-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292979740 533452868 /nfs/dbraw/zinc/45/28/68/533452868.db2.gz MYTNFQOOWSFQQC-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP COc1cccc(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292979740 533452872 /nfs/dbraw/zinc/45/28/72/533452872.db2.gz MYTNFQOOWSFQQC-IBGZPJMESA-N 2 1 302.462 3.046 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)c1nccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000153341863 533510224 /nfs/dbraw/zinc/51/02/24/533510224.db2.gz GKXIQHUKGLEXFQ-KGLIPLIRSA-N 2 1 319.474 3.495 20 0 DGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415053168 533555577 /nfs/dbraw/zinc/55/55/77/533555577.db2.gz OIBDGEUJTSEIIZ-ZBFHGGJFSA-N 2 1 308.853 3.313 20 0 DGADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415053168 533555581 /nfs/dbraw/zinc/55/55/81/533555581.db2.gz OIBDGEUJTSEIIZ-ZBFHGGJFSA-N 2 1 308.853 3.313 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123868 533627058 /nfs/dbraw/zinc/62/70/58/533627058.db2.gz MRNFUSJPLPTWEW-GOSISDBHSA-N 2 1 324.415 3.432 20 0 DGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123868 533627064 /nfs/dbraw/zinc/62/70/64/533627064.db2.gz MRNFUSJPLPTWEW-GOSISDBHSA-N 2 1 324.415 3.432 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123868 533627069 /nfs/dbraw/zinc/62/70/69/533627069.db2.gz MRNFUSJPLPTWEW-GOSISDBHSA-N 2 1 324.415 3.432 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C)c1OC(F)F ZINC000430123868 533627074 /nfs/dbraw/zinc/62/70/74/533627074.db2.gz MRNFUSJPLPTWEW-GOSISDBHSA-N 2 1 324.415 3.432 20 0 DGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356854256 285523086 /nfs/dbraw/zinc/52/30/86/285523086.db2.gz UGTSAXRJPSOFHO-IEBWSBKVSA-N 2 1 316.489 3.364 20 0 DGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)([NH+](C)C)C1 ZINC000320458910 296494097 /nfs/dbraw/zinc/49/40/97/296494097.db2.gz DLROXLXYCMXVFH-QPSCCSFWSA-N 2 1 322.415 3.196 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000608507925 400081852 /nfs/dbraw/zinc/08/18/52/400081852.db2.gz KCYDEXDGOIOVAZ-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000608507925 400081855 /nfs/dbraw/zinc/08/18/55/400081855.db2.gz KCYDEXDGOIOVAZ-SFHVURJKSA-N 2 1 304.478 3.346 20 0 DGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741940 400254101 /nfs/dbraw/zinc/25/41/01/400254101.db2.gz CIPCQQQAJQGCEX-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741940 400254105 /nfs/dbraw/zinc/25/41/05/400254105.db2.gz CIPCQQQAJQGCEX-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741940 400254109 /nfs/dbraw/zinc/25/41/09/400254109.db2.gz CIPCQQQAJQGCEX-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(=O)OC(C)(C)C ZINC000595605506 400201749 /nfs/dbraw/zinc/20/17/49/400201749.db2.gz JVSWEAANFVTZEC-CQSZACIVSA-N 2 1 309.454 3.024 20 0 DGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(=O)OC(C)(C)C ZINC000595605506 400201754 /nfs/dbraw/zinc/20/17/54/400201754.db2.gz JVSWEAANFVTZEC-CQSZACIVSA-N 2 1 309.454 3.024 20 0 DGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000093741940 400254116 /nfs/dbraw/zinc/25/41/16/400254116.db2.gz CIPCQQQAJQGCEX-GOSISDBHSA-N 2 1 312.461 3.036 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000105477158 400321818 /nfs/dbraw/zinc/32/18/18/400321818.db2.gz RUMAMFPXKKDVGS-UHFFFAOYSA-N 2 1 317.521 3.101 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093993339 400265512 /nfs/dbraw/zinc/26/55/12/400265512.db2.gz AOQZXLAFHVLRFO-UHFFFAOYSA-N 2 1 315.230 3.149 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1ccc2[nH]cnc2c1)C1CCCCC1 ZINC000589639298 400313454 /nfs/dbraw/zinc/31/34/54/400313454.db2.gz VVCIXOLSFJXCIX-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1ccc2[nH]cnc2c1)C1CCCCC1 ZINC000589639298 400313462 /nfs/dbraw/zinc/31/34/62/400313462.db2.gz VVCIXOLSFJXCIX-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP C[N@H+](CCC[NH2+]Cc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC000589639298 400313477 /nfs/dbraw/zinc/31/34/77/400313477.db2.gz VVCIXOLSFJXCIX-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP C[N@@H+](CCC[NH2+]Cc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC000589639298 400313482 /nfs/dbraw/zinc/31/34/82/400313482.db2.gz VVCIXOLSFJXCIX-UHFFFAOYSA-N 2 1 300.450 3.307 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)[C@@H](C)C1 ZINC000596118276 400321607 /nfs/dbraw/zinc/32/16/07/400321607.db2.gz VBMHVNQQYIOURR-UAGQMJEPSA-N 2 1 324.509 3.064 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000040622451 400402151 /nfs/dbraw/zinc/40/21/51/400402151.db2.gz GBXSGFWWJKXPMB-LLVKDONJSA-N 2 1 317.296 3.331 20 0 DGADMP CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000590777443 400433380 /nfs/dbraw/zinc/43/33/80/400433380.db2.gz HAKXTBSLQTVVIO-KSZLIROESA-N 2 1 304.503 3.382 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000590786582 400433767 /nfs/dbraw/zinc/43/37/67/400433767.db2.gz GLXJNSAQLXKNCU-MRXNPFEDSA-N 2 1 317.477 3.066 20 0 DGADMP COC(=O)c1ccc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000597173412 400576786 /nfs/dbraw/zinc/57/67/86/400576786.db2.gz NQGPOSSUXQOHAC-CYBMUJFWSA-N 2 1 324.852 3.089 20 0 DGADMP COC(=O)c1ccc(CNC[C@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000597173412 400576788 /nfs/dbraw/zinc/57/67/88/400576788.db2.gz NQGPOSSUXQOHAC-CYBMUJFWSA-N 2 1 324.852 3.089 20 0 DGADMP CCCCOCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110038 400635338 /nfs/dbraw/zinc/63/53/38/400635338.db2.gz MKJRLDXBASXTLX-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCCCOCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110038 400635341 /nfs/dbraw/zinc/63/53/41/400635341.db2.gz MKJRLDXBASXTLX-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCCCOCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110038 400635345 /nfs/dbraw/zinc/63/53/45/400635345.db2.gz MKJRLDXBASXTLX-IBGZPJMESA-N 2 1 304.478 3.257 20 0 DGADMP CCCC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000157439480 400717633 /nfs/dbraw/zinc/71/76/33/400717633.db2.gz ADRDBOLTSVFCSV-ZBFHGGJFSA-N 2 1 312.498 3.207 20 0 DGADMP CSCCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000619613161 400872831 /nfs/dbraw/zinc/87/28/31/400872831.db2.gz ZYKXZPAOMFWBPJ-UHFFFAOYSA-N 2 1 322.518 3.346 20 0 DGADMP CCC(CC)[C@@H](C[NH2+]C1CCC(CC(=O)OC)CC1)[NH+](C)C ZINC000599019413 400928796 /nfs/dbraw/zinc/92/87/96/400928796.db2.gz JVEBNUMEMWUQGL-BDVYOWHSSA-N 2 1 312.498 3.064 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629655979 401019620 /nfs/dbraw/zinc/01/96/20/401019620.db2.gz ZFZNMBJUCDEWSU-VGWMRTNUSA-N 2 1 312.379 3.249 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629654889 401020281 /nfs/dbraw/zinc/02/02/81/401020281.db2.gz JFDDBSKIQGRLRZ-UKRRQHHQSA-N 2 1 323.362 3.194 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1C(F)(F)F ZINC000629654889 401020288 /nfs/dbraw/zinc/02/02/88/401020288.db2.gz JFDDBSKIQGRLRZ-UKRRQHHQSA-N 2 1 323.362 3.194 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561367 400974983 /nfs/dbraw/zinc/97/49/83/400974983.db2.gz HXLIINQBDQXTNB-OUAUKWLOSA-N 2 1 302.331 3.127 20 0 DGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561369 400976074 /nfs/dbraw/zinc/97/60/74/400976074.db2.gz HXLIINQBDQXTNB-VWYCJHECSA-N 2 1 302.331 3.127 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563827 400977358 /nfs/dbraw/zinc/97/73/58/400977358.db2.gz GDNREKPZOHPLAT-CABCVRRESA-N 2 1 300.368 3.263 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@@H]1C(F)(F)F ZINC000629562630 400977561 /nfs/dbraw/zinc/97/75/61/400977561.db2.gz ONCRCPSIXDENBM-BYCMXARLSA-N 2 1 316.342 3.272 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@@H]1C(F)(F)F ZINC000629562630 400977568 /nfs/dbraw/zinc/97/75/68/400977568.db2.gz ONCRCPSIXDENBM-BYCMXARLSA-N 2 1 316.342 3.272 20 0 DGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565792 400979682 /nfs/dbraw/zinc/97/96/82/400979682.db2.gz XFYTWJNAHBGKJL-DZGCQCFKSA-N 2 1 300.368 3.263 20 0 DGADMP [NH3+]C/C=C\c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629732748 401062345 /nfs/dbraw/zinc/06/23/45/401062345.db2.gz FTALFLMCUAEIHE-UPHRSURJSA-N 2 1 308.425 3.158 20 0 DGADMP [NH3+][C@H]1CCc2c1cccc2-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000629732213 401062538 /nfs/dbraw/zinc/06/25/38/401062538.db2.gz ALEGSYTUGNQCRL-FQEVSTJZSA-N 2 1 308.425 3.132 20 0 DGADMP Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C ZINC000629657175 401021900 /nfs/dbraw/zinc/02/19/00/401021900.db2.gz UJHVLERZGNTEIA-HUUCEWRRSA-N 2 1 300.368 3.263 20 0 DGADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000629666548 401028714 /nfs/dbraw/zinc/02/87/14/401028714.db2.gz SQUJCRNTDCFZHU-UHFFFAOYSA-N 2 1 318.392 3.025 20 0 DGADMP Fc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000358245433 286009831 /nfs/dbraw/zinc/00/98/31/286009831.db2.gz IRTNJFVINJLPIR-YESZJQIVSA-N 2 1 317.452 3.011 20 0 DGADMP Fc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358245432 286009864 /nfs/dbraw/zinc/00/98/64/286009864.db2.gz IRTNJFVINJLPIR-ULQDDVLXSA-N 2 1 317.452 3.011 20 0 DGADMP CC(C)CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254052 286011984 /nfs/dbraw/zinc/01/19/84/286011984.db2.gz PKAHOMZMILTTIJ-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP CC(C)CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358254052 286011985 /nfs/dbraw/zinc/01/19/85/286011985.db2.gz PKAHOMZMILTTIJ-ZWKOTPCHSA-N 2 1 324.896 3.474 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1CO ZINC000621373088 401191033 /nfs/dbraw/zinc/19/10/33/401191033.db2.gz BGDIEYNLBAEBID-YLJYHZDGSA-N 2 1 316.489 3.123 20 0 DGADMP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000090593134 401270016 /nfs/dbraw/zinc/27/00/16/401270016.db2.gz MNSMEDFRSJCEEX-IEBWSBKVSA-N 2 1 302.462 3.369 20 0 DGADMP FCC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000626005806 401277496 /nfs/dbraw/zinc/27/74/96/401277496.db2.gz KVLFPMOURNCPIA-IBGZPJMESA-N 2 1 320.452 3.233 20 0 DGADMP FCC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000626005806 401277500 /nfs/dbraw/zinc/27/75/00/401277500.db2.gz KVLFPMOURNCPIA-IBGZPJMESA-N 2 1 320.452 3.233 20 0 DGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1F ZINC000626126360 401307052 /nfs/dbraw/zinc/30/70/52/401307052.db2.gz MUVZEDHERUJIEM-CVEARBPZSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1F ZINC000626126360 401307056 /nfs/dbraw/zinc/30/70/56/401307056.db2.gz MUVZEDHERUJIEM-CVEARBPZSA-N 2 1 306.425 3.108 20 0 DGADMP COc1ccc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1F ZINC000626126360 401307058 /nfs/dbraw/zinc/30/70/58/401307058.db2.gz MUVZEDHERUJIEM-CVEARBPZSA-N 2 1 306.425 3.108 20 0 DGADMP CC[N@@H+](Cc1oc(C)nc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063069 401292499 /nfs/dbraw/zinc/29/24/99/401292499.db2.gz QAORSISBVNSQCM-UHFFFAOYSA-N 2 1 301.434 3.375 20 0 DGADMP COc1cc(Cl)c(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000631045071 401377012 /nfs/dbraw/zinc/37/70/12/401377012.db2.gz BLPXBLDKHAYZAU-UHFFFAOYSA-N 2 1 323.824 3.042 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000635004770 401399385 /nfs/dbraw/zinc/39/93/85/401399385.db2.gz FBKSJFVAMXBYHC-YPMHNXCESA-N 2 1 312.379 3.459 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635003513 401399481 /nfs/dbraw/zinc/39/94/81/401399481.db2.gz DMYFITZHWLDCFF-XEYPJELSSA-N 3 1 315.505 3.004 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635003513 401399484 /nfs/dbraw/zinc/39/94/84/401399484.db2.gz DMYFITZHWLDCFF-XEYPJELSSA-N 2 1 315.505 3.004 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nc2c(s1)CCCC2 ZINC000635009495 401401790 /nfs/dbraw/zinc/40/17/90/401401790.db2.gz HGPICPMIUDWEHF-OLZOCXBDSA-N 2 1 307.507 3.451 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncs1 ZINC000631196275 401423573 /nfs/dbraw/zinc/42/35/73/401423573.db2.gz PSLCURWQXQTOMT-GDBMZVCRSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncs1 ZINC000631196275 401423576 /nfs/dbraw/zinc/42/35/76/401423576.db2.gz PSLCURWQXQTOMT-GDBMZVCRSA-N 2 1 301.459 3.001 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000631663756 401528297 /nfs/dbraw/zinc/52/82/97/401528297.db2.gz LBXPEQSKXXMDPV-BWPNAZKDSA-N 2 1 316.489 3.159 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000631663768 401528550 /nfs/dbraw/zinc/52/85/50/401528550.db2.gz LJDDZHDLTHDOSN-AOIWGVFYSA-N 2 1 316.489 3.302 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000623655902 401562324 /nfs/dbraw/zinc/56/23/24/401562324.db2.gz IFWFAPNIEBPYNU-OAHLLOKOSA-N 2 1 312.404 3.152 20 0 DGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000623656518 401563185 /nfs/dbraw/zinc/56/31/85/401563185.db2.gz VYIZIPSHZSRRPA-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP Cc1ncc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000628273152 401565216 /nfs/dbraw/zinc/56/52/16/401565216.db2.gz KHEWTHZMXHYDOZ-LJQANCHMSA-N 2 1 311.429 3.081 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628280219 401566604 /nfs/dbraw/zinc/56/66/04/401566604.db2.gz WHRSDGPCKPTFIP-UHFFFAOYSA-N 2 1 322.403 3.058 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628280219 401566605 /nfs/dbraw/zinc/56/66/05/401566605.db2.gz WHRSDGPCKPTFIP-UHFFFAOYSA-N 2 1 322.403 3.058 20 0 DGADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC1(C)COC1 ZINC000628423886 401594941 /nfs/dbraw/zinc/59/49/41/401594941.db2.gz OUZPLZLUVOJKAB-UHFFFAOYSA-N 2 1 304.478 3.113 20 0 DGADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC1(C)COC1 ZINC000628423886 401594945 /nfs/dbraw/zinc/59/49/45/401594945.db2.gz OUZPLZLUVOJKAB-UHFFFAOYSA-N 2 1 304.478 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CC1(C)COC1 ZINC000628423886 401594950 /nfs/dbraw/zinc/59/49/50/401594950.db2.gz OUZPLZLUVOJKAB-UHFFFAOYSA-N 2 1 304.478 3.113 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC1(C)COC1 ZINC000628423886 401594952 /nfs/dbraw/zinc/59/49/52/401594952.db2.gz OUZPLZLUVOJKAB-UHFFFAOYSA-N 2 1 304.478 3.113 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1O ZINC000628425953 401595947 /nfs/dbraw/zinc/59/59/47/401595947.db2.gz ZZHOAZYFLXYCME-RDJZCZTQSA-N 2 1 320.477 3.043 20 0 DGADMP C[N@H+]1CC[C@@H](N[C@@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575448 401549702 /nfs/dbraw/zinc/54/97/02/401549702.db2.gz AZSHFUHTQIAPNH-IAGOWNOFSA-N 2 1 324.472 3.322 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OC)c(OC)c1 ZINC000624119600 401628326 /nfs/dbraw/zinc/62/83/26/401628326.db2.gz FVOAHIDEWFBQRH-DOTOQJQBSA-N 2 1 320.477 3.476 20 0 DGADMP COCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000358490187 286076240 /nfs/dbraw/zinc/07/62/40/286076240.db2.gz ZJMDGFIEAHNTCJ-CABCVRRESA-N 2 1 306.450 3.169 20 0 DGADMP COCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000358490187 286076241 /nfs/dbraw/zinc/07/62/41/286076241.db2.gz ZJMDGFIEAHNTCJ-CABCVRRESA-N 2 1 306.450 3.169 20 0 DGADMP Cc1c[nH+]cn1CC(=O)Nc1c2ccccc2nc(C)c1C(C)C ZINC000637146934 401617019 /nfs/dbraw/zinc/61/70/19/401617019.db2.gz YGDVHORSJIHOCY-UHFFFAOYSA-N 2 1 322.412 3.232 20 0 DGADMP Fc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)co2)cc1 ZINC000358521117 286082699 /nfs/dbraw/zinc/08/26/99/286082699.db2.gz WYIZZUDPCDAOSI-UHFFFAOYSA-N 2 1 315.392 3.056 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340392771 286146271 /nfs/dbraw/zinc/14/62/71/286146271.db2.gz ZYTHOPIVNDMGQL-GBESFXJTSA-N 2 1 302.462 3.227 20 0 DGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340392771 286146275 /nfs/dbraw/zinc/14/62/75/286146275.db2.gz ZYTHOPIVNDMGQL-GBESFXJTSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@H]1C[C@H](NCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828551 286163652 /nfs/dbraw/zinc/16/36/52/286163652.db2.gz OTZMPCATBZNNQH-AZUAARDMSA-N 2 1 315.505 3.115 20 0 DGADMP c1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000359228608 286265235 /nfs/dbraw/zinc/26/52/35/286265235.db2.gz YAVKWASVVPGTSZ-LJQANCHMSA-N 2 1 302.462 3.057 20 0 DGADMP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(Cl)c1F ZINC000359400631 286300071 /nfs/dbraw/zinc/30/00/71/286300071.db2.gz RMGXHHPRIBLQAE-HNNXBMFYSA-N 2 1 316.848 3.488 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Cl)c1F ZINC000359400631 286300073 /nfs/dbraw/zinc/30/00/73/286300073.db2.gz RMGXHHPRIBLQAE-HNNXBMFYSA-N 2 1 316.848 3.488 20 0 DGADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000359633108 286350956 /nfs/dbraw/zinc/35/09/56/286350956.db2.gz CKZJNSKRHSHYMG-AWEZNQCLSA-N 2 1 322.415 3.342 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)C2CCCC2)cc1 ZINC000423327291 286363160 /nfs/dbraw/zinc/36/31/60/286363160.db2.gz KBXLSGAZOFQTNA-MDASCCDHSA-N 2 1 302.462 3.309 20 0 DGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000248531951 287024403 /nfs/dbraw/zinc/02/44/03/287024403.db2.gz PVSULJVJGAJVLG-LSDHHAIUSA-N 2 1 304.434 3.330 20 0 DGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000248531951 287024406 /nfs/dbraw/zinc/02/44/06/287024406.db2.gz PVSULJVJGAJVLG-LSDHHAIUSA-N 2 1 304.434 3.330 20 0 DGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000185491463 165005955 /nfs/dbraw/zinc/00/59/55/165005955.db2.gz MOCCIPONRVHMHP-VQIMIIECSA-N 2 1 317.477 3.013 20 0 DGADMP Cc1ncsc1CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762839 165015929 /nfs/dbraw/zinc/01/59/29/165015929.db2.gz IYPVWCSBOIYVPB-HIFRSBDPSA-N 2 1 307.507 3.237 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190348681 165198990 /nfs/dbraw/zinc/19/89/90/165198990.db2.gz ZSSNHHCPILYBJM-GUDVDZBRSA-N 2 1 316.489 3.302 20 0 DGADMP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365154397 287103383 /nfs/dbraw/zinc/10/33/83/287103383.db2.gz FVCOVLUXNJOMRE-QZTJIDSGSA-N 2 1 300.446 3.192 20 0 DGADMP CN(CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192716172 165304489 /nfs/dbraw/zinc/30/44/89/165304489.db2.gz OERPHQDVMSUIJI-JLYLLQBASA-N 2 1 301.478 3.118 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000216065925 165376845 /nfs/dbraw/zinc/37/68/45/165376845.db2.gz PMFIHDIJPMIMGQ-ZYHUDNBSSA-N 2 1 304.381 3.468 20 0 DGADMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000252696078 165700309 /nfs/dbraw/zinc/70/03/09/165700309.db2.gz LTCQVCOIJVLDHG-APWZRJJASA-N 2 1 304.478 3.137 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000136295872 432152943 /nfs/dbraw/zinc/15/29/43/432152943.db2.gz JLBROFDUPQXRHJ-UHFFFAOYSA-N 2 1 312.392 3.401 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000136295872 432152946 /nfs/dbraw/zinc/15/29/46/432152946.db2.gz JLBROFDUPQXRHJ-UHFFFAOYSA-N 2 1 312.392 3.401 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000181941665 432151423 /nfs/dbraw/zinc/15/14/23/432151423.db2.gz NFMSAUJRQPXWHP-CXAGYDPISA-N 2 1 304.409 3.113 20 0 DGADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246701756 432155584 /nfs/dbraw/zinc/15/55/84/432155584.db2.gz ZKMJKMNSVLCSAX-WMLDXEAASA-N 2 1 303.475 3.259 20 0 DGADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246701756 432155588 /nfs/dbraw/zinc/15/55/88/432155588.db2.gz ZKMJKMNSVLCSAX-WMLDXEAASA-N 2 1 303.475 3.259 20 0 DGADMP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182257164 432172150 /nfs/dbraw/zinc/17/21/50/432172150.db2.gz PGCNRZHVRNXMKU-VDGAXYAQSA-N 2 1 316.489 3.312 20 0 DGADMP C[NH+](C)CCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137068909 432170308 /nfs/dbraw/zinc/17/03/08/432170308.db2.gz UJOLFXXNEHRUBM-UHFFFAOYSA-N 2 1 305.647 3.144 20 0 DGADMP Fc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246827301 432170380 /nfs/dbraw/zinc/17/03/80/432170380.db2.gz NYLRNHPSKWGEAF-MAUKXSAKSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246827301 432170381 /nfs/dbraw/zinc/17/03/81/432170381.db2.gz NYLRNHPSKWGEAF-MAUKXSAKSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246827301 432170385 /nfs/dbraw/zinc/17/03/85/432170385.db2.gz NYLRNHPSKWGEAF-MAUKXSAKSA-N 2 1 318.436 3.153 20 0 DGADMP Fc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246827301 432170386 /nfs/dbraw/zinc/17/03/86/432170386.db2.gz NYLRNHPSKWGEAF-MAUKXSAKSA-N 2 1 318.436 3.153 20 0 DGADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246908639 432179558 /nfs/dbraw/zinc/17/95/58/432179558.db2.gz RVFNVOUWRHSIBO-GOEBONIOSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246908639 432179562 /nfs/dbraw/zinc/17/95/62/432179562.db2.gz RVFNVOUWRHSIBO-GOEBONIOSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246908639 432179566 /nfs/dbraw/zinc/17/95/66/432179566.db2.gz RVFNVOUWRHSIBO-GOEBONIOSA-N 2 1 305.491 3.209 20 0 DGADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246908639 432179569 /nfs/dbraw/zinc/17/95/69/432179569.db2.gz RVFNVOUWRHSIBO-GOEBONIOSA-N 2 1 305.491 3.209 20 0 DGADMP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182265436 432174208 /nfs/dbraw/zinc/17/42/08/432174208.db2.gz KLFLZRUWBYLGMC-BXWFABGCSA-N 2 1 316.489 3.168 20 0 DGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246881867 432175551 /nfs/dbraw/zinc/17/55/51/432175551.db2.gz DYJKSFZDFJSNSY-HYVNUMGLSA-N 2 1 318.461 3.229 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000247026323 432191360 /nfs/dbraw/zinc/19/13/60/432191360.db2.gz NGBIBHGEBQPOPJ-BEFAXECRSA-N 2 1 302.462 3.393 20 0 DGADMP COC[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000247048348 432196663 /nfs/dbraw/zinc/19/66/63/432196663.db2.gz MAXMRRCERWJPES-GJJHYRHESA-N 2 1 316.489 3.158 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1nc2cc(Cl)ccc2n1C ZINC000269715855 432200808 /nfs/dbraw/zinc/20/08/08/432200808.db2.gz VYPAQOPSVKLROQ-BZPMIXESSA-N 2 1 320.868 3.045 20 0 DGADMP C[NH+](C)CCC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000130566058 196091086 /nfs/dbraw/zinc/09/10/86/196091086.db2.gz MBSMZMSSGASBCO-UHFFFAOYSA-N 2 1 300.368 3.268 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000247113904 432203227 /nfs/dbraw/zinc/20/32/27/432203227.db2.gz QSZDUTSEFZJZKI-SJORKVTESA-N 2 1 312.461 3.255 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000247123287 432203598 /nfs/dbraw/zinc/20/35/98/432203598.db2.gz RFUSMKBGRPXOBR-ZBFHGGJFSA-N 2 1 303.450 3.028 20 0 DGADMP CCc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000151000525 432209641 /nfs/dbraw/zinc/20/96/41/432209641.db2.gz IAXBSRXQNYQPAC-UHFFFAOYSA-N 2 1 314.433 3.007 20 0 DGADMP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247234256 432212380 /nfs/dbraw/zinc/21/23/80/432212380.db2.gz YMYYQUVJGCLRRN-WMZOPIPTSA-N 2 1 304.478 3.480 20 0 DGADMP COc1cccc(C[C@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)c1 ZINC000269841707 432213703 /nfs/dbraw/zinc/21/37/03/432213703.db2.gz CBYGDWXCEYYNQS-IBGZPJMESA-N 2 1 313.445 3.201 20 0 DGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1(C)CC1 ZINC000247123591 432204171 /nfs/dbraw/zinc/20/41/71/432204171.db2.gz RGMMNHCWZLWNJY-MJGOQNOKSA-N 2 1 315.505 3.143 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000247137097 432206383 /nfs/dbraw/zinc/20/63/83/432206383.db2.gz QVZLGLYGKSIKJQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000247137097 432206389 /nfs/dbraw/zinc/20/63/89/432206389.db2.gz QVZLGLYGKSIKJQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000247137097 432206392 /nfs/dbraw/zinc/20/63/92/432206392.db2.gz QVZLGLYGKSIKJQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000247137097 432206394 /nfs/dbraw/zinc/20/63/94/432206394.db2.gz QVZLGLYGKSIKJQ-NZSAHSFTSA-N 2 1 302.462 3.150 20 0 DGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1C ZINC000247293958 432220660 /nfs/dbraw/zinc/22/06/60/432220660.db2.gz ZILAYMDBUMDQOR-IRXDYDNUSA-N 2 1 315.505 3.447 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000131580674 196182088 /nfs/dbraw/zinc/18/20/88/196182088.db2.gz CFUYMIWZPCJVSO-UHFFFAOYSA-N 2 1 317.296 3.332 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131615089 196184036 /nfs/dbraw/zinc/18/40/36/196184036.db2.gz SSFBKEIMXZUNDO-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000131615089 196184038 /nfs/dbraw/zinc/18/40/38/196184038.db2.gz SSFBKEIMXZUNDO-MNOVXSKESA-N 2 1 303.233 3.041 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000132997835 196303220 /nfs/dbraw/zinc/30/32/20/196303220.db2.gz XHTALXINGWKZIJ-KGLIPLIRSA-N 2 1 324.415 3.116 20 0 DGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)c(Br)c1 ZINC000137207204 196569202 /nfs/dbraw/zinc/56/92/02/196569202.db2.gz HRMABNVMBTWYNU-UHFFFAOYSA-N 2 1 305.647 3.144 20 0 DGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)c(Br)c1 ZINC000137207204 196569204 /nfs/dbraw/zinc/56/92/04/196569204.db2.gz HRMABNVMBTWYNU-UHFFFAOYSA-N 2 1 305.647 3.144 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245878515 287347825 /nfs/dbraw/zinc/34/78/25/287347825.db2.gz KKNFVLQYIVCPMA-XMTFNYHQSA-N 2 1 308.510 3.292 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295861864 225320663 /nfs/dbraw/zinc/32/06/63/225320663.db2.gz GQOHGWMGLPJYEB-CQSZACIVSA-N 2 1 304.825 3.297 20 0 DGADMP C[C@@H]1CCC[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000124211334 287397783 /nfs/dbraw/zinc/39/77/83/287397783.db2.gz CRJKCJYYIJQLSI-QZTJIDSGSA-N 2 1 308.510 3.437 20 0 DGADMP CO[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000291107562 222143174 /nfs/dbraw/zinc/14/31/74/222143174.db2.gz FDZNMVGMSCICKI-XKGZKEIXSA-N 2 1 316.489 3.302 20 0 DGADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000291335259 222322572 /nfs/dbraw/zinc/32/25/72/222322572.db2.gz VXOVXPZEHFNOLI-SAZUREKKSA-N 2 1 323.278 3.379 20 0 DGADMP CO[C@H](C)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291453715 222399333 /nfs/dbraw/zinc/39/93/33/222399333.db2.gz MKOSBBDERKRICY-QGZVFWFLSA-N 2 1 302.462 3.009 20 0 DGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000346563765 264055452 /nfs/dbraw/zinc/05/54/52/264055452.db2.gz REPPAYVLSMHFJZ-BXWFABGCSA-N 2 1 302.462 3.369 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000346568441 264056066 /nfs/dbraw/zinc/05/60/66/264056066.db2.gz SVSSKQNJHOVRAC-UMGGQSCQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000346568441 264056067 /nfs/dbraw/zinc/05/60/67/264056067.db2.gz SVSSKQNJHOVRAC-UMGGQSCQSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCO1 ZINC000346571383 264057076 /nfs/dbraw/zinc/05/70/76/264057076.db2.gz YSGJCQYAQGUOOP-ZAWLATJESA-N 2 1 302.462 3.054 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCO1 ZINC000346571383 264057077 /nfs/dbraw/zinc/05/70/77/264057077.db2.gz YSGJCQYAQGUOOP-ZAWLATJESA-N 2 1 302.462 3.054 20 0 DGADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)CC(C)(C)C[NH3+] ZINC000346647715 264073172 /nfs/dbraw/zinc/07/31/72/264073172.db2.gz BDAIXHJTSGWJCK-UHFFFAOYSA-N 2 1 304.356 3.044 20 0 DGADMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(OC(F)F)cc1C ZINC000346648915 264073264 /nfs/dbraw/zinc/07/32/64/264073264.db2.gz BSCLJSVQGREFJR-UHFFFAOYSA-N 2 1 300.393 3.322 20 0 DGADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(OC(F)F)cc1C ZINC000346648915 264073265 /nfs/dbraw/zinc/07/32/65/264073265.db2.gz BSCLJSVQGREFJR-UHFFFAOYSA-N 2 1 300.393 3.322 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656699 264074904 /nfs/dbraw/zinc/07/49/04/264074904.db2.gz GXECVTWNSULRNB-KOLCDFICSA-N 2 1 304.768 3.111 20 0 DGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000346656699 264074907 /nfs/dbraw/zinc/07/49/07/264074907.db2.gz GXECVTWNSULRNB-KOLCDFICSA-N 2 1 304.768 3.111 20 0 DGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346662167 264075896 /nfs/dbraw/zinc/07/58/96/264075896.db2.gz WGUOPLGVWLMEFA-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346670711 264077537 /nfs/dbraw/zinc/07/75/37/264077537.db2.gz GUICSELLXBRQPG-HOCLYGCPSA-N 2 1 306.450 3.043 20 0 DGADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH+]cc1Cl ZINC000346672925 264077885 /nfs/dbraw/zinc/07/78/85/264077885.db2.gz RIIOZIBRVVJOCS-UHFFFAOYSA-N 2 1 316.836 3.483 20 0 DGADMP CCCCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346695107 264081330 /nfs/dbraw/zinc/08/13/30/264081330.db2.gz YHPWWOAOQWIAQV-GOEBONIOSA-N 2 1 306.450 3.043 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000346695211 264081655 /nfs/dbraw/zinc/08/16/55/264081655.db2.gz YWVCEIXZJWFOFF-QGZVFWFLSA-N 2 1 314.433 3.074 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)C[C@H]12 ZINC000346814028 264102288 /nfs/dbraw/zinc/10/22/88/264102288.db2.gz BILZKHQWKYYWDA-WCFLWFBJSA-N 2 1 305.472 3.041 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)C[C@H]12 ZINC000346814028 264102290 /nfs/dbraw/zinc/10/22/90/264102290.db2.gz BILZKHQWKYYWDA-WCFLWFBJSA-N 2 1 305.472 3.041 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346820639 264103931 /nfs/dbraw/zinc/10/39/31/264103931.db2.gz DBVWJBJJIJCZNQ-IPELMVKDSA-N 2 1 324.472 3.165 20 0 DGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)C[C@H]12 ZINC000346828989 264104714 /nfs/dbraw/zinc/10/47/14/264104714.db2.gz OCJIPXVKVJPQEF-DDTOSNHZSA-N 2 1 305.472 3.041 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]21 ZINC000346828779 264104848 /nfs/dbraw/zinc/10/48/48/264104848.db2.gz IRVNEXZYRHUWRW-BZUAXINKSA-N 2 1 313.470 3.369 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]21 ZINC000346828779 264104849 /nfs/dbraw/zinc/10/48/49/264104849.db2.gz IRVNEXZYRHUWRW-BZUAXINKSA-N 2 1 313.470 3.369 20 0 DGADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)s2)cc1 ZINC000346840130 264107632 /nfs/dbraw/zinc/10/76/32/264107632.db2.gz ZLZVGEYGZKZQSV-UAGQMJEPSA-N 2 1 313.470 3.288 20 0 DGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346845346 264108298 /nfs/dbraw/zinc/10/82/98/264108298.db2.gz NBEKHNFCCVYJIC-BBWFWOEESA-N 2 1 318.461 3.043 20 0 DGADMP CC(C)c1csc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346970942 264130294 /nfs/dbraw/zinc/13/02/94/264130294.db2.gz GOQDCGKOJYBKGM-CABCVRRESA-N 2 1 307.507 3.446 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346994168 264135081 /nfs/dbraw/zinc/13/50/81/264135081.db2.gz BUZQQOUUJGRWTF-NVXWUHKLSA-N 2 1 320.477 3.289 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000346995573 264135773 /nfs/dbraw/zinc/13/57/73/264135773.db2.gz BLSLVPDHHDVFQC-TZMCWYRMSA-N 2 1 303.837 3.447 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(OCCC)c1 ZINC000347016864 264141314 /nfs/dbraw/zinc/14/13/14/264141314.db2.gz ZOKAUGCVDDTOIM-QAPCUYQASA-N 2 1 320.477 3.433 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(OCCC)c1 ZINC000347016864 264141317 /nfs/dbraw/zinc/14/13/17/264141317.db2.gz ZOKAUGCVDDTOIM-QAPCUYQASA-N 2 1 320.477 3.433 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347027928 264142887 /nfs/dbraw/zinc/14/28/87/264142887.db2.gz VBOMGCXDQCTAKD-ZDUSSCGKSA-N 2 1 318.852 3.162 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347027928 264142888 /nfs/dbraw/zinc/14/28/88/264142888.db2.gz VBOMGCXDQCTAKD-ZDUSSCGKSA-N 2 1 318.852 3.162 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000347061411 264150230 /nfs/dbraw/zinc/15/02/30/264150230.db2.gz UOQFSLJCONFRTB-WBAXXEDZSA-N 2 1 324.896 3.048 20 0 DGADMP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC000347095813 264155534 /nfs/dbraw/zinc/15/55/34/264155534.db2.gz HTVVMYMFDTYRTC-UHFFFAOYSA-N 2 1 304.768 3.125 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC000347095813 264155535 /nfs/dbraw/zinc/15/55/35/264155535.db2.gz HTVVMYMFDTYRTC-UHFFFAOYSA-N 2 1 304.768 3.125 20 0 DGADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(OCCC)c1 ZINC000347095784 264155685 /nfs/dbraw/zinc/15/56/85/264155685.db2.gz HRORCTJNQKRZLW-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(OCCC)c1 ZINC000347095784 264155687 /nfs/dbraw/zinc/15/56/87/264155687.db2.gz HRORCTJNQKRZLW-OAHLLOKOSA-N 2 1 306.450 3.045 20 0 DGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000347095748 264155699 /nfs/dbraw/zinc/15/56/99/264155699.db2.gz HRCSWWIKLPZDRM-QGZVFWFLSA-N 2 1 311.429 3.224 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000347115461 264159707 /nfs/dbraw/zinc/15/97/07/264159707.db2.gz TWDZDSLCDSVXAW-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000347115461 264159709 /nfs/dbraw/zinc/15/97/09/264159709.db2.gz TWDZDSLCDSVXAW-ZDUSSCGKSA-N 2 1 303.837 3.320 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347173469 264169340 /nfs/dbraw/zinc/16/93/40/264169340.db2.gz OUJULTWCDXUZMG-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347173469 264169342 /nfs/dbraw/zinc/16/93/42/264169342.db2.gz OUJULTWCDXUZMG-AWEZNQCLSA-N 2 1 316.367 3.059 20 0 DGADMP CCCCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000347183362 264171549 /nfs/dbraw/zinc/17/15/49/264171549.db2.gz WQGUAGSVABEUNR-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCCCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000347183362 264171551 /nfs/dbraw/zinc/17/15/51/264171551.db2.gz WQGUAGSVABEUNR-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP C[C@@H]([NH3+])[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187956 264171938 /nfs/dbraw/zinc/17/19/38/264171938.db2.gz CTNCRJNLDOOLEG-MJGOQNOKSA-N 2 1 317.521 3.204 20 0 DGADMP CCC[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654350 264261148 /nfs/dbraw/zinc/26/11/48/264261148.db2.gz SABRIEWWWVGSCN-HZPDHXFCSA-N 2 1 315.465 3.035 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1 ZINC000347914579 264304705 /nfs/dbraw/zinc/30/47/05/264304705.db2.gz YMRICXHPCDLRBV-CABCVRRESA-N 2 1 321.428 3.253 20 0 DGADMP Cc1noc(C)c1CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347946858 264312082 /nfs/dbraw/zinc/31/20/82/264312082.db2.gz ZNEWEEACVLADFE-CJNGLKHVSA-N 2 1 305.466 3.077 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000348100579 264340321 /nfs/dbraw/zinc/34/03/21/264340321.db2.gz GJVUKQCIPMDYJV-KFKAGJAMSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000348100579 264340324 /nfs/dbraw/zinc/34/03/24/264340324.db2.gz GJVUKQCIPMDYJV-KFKAGJAMSA-N 2 1 302.462 3.186 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000348112733 264343544 /nfs/dbraw/zinc/34/35/44/264343544.db2.gz REYQYJLOINZTNV-QRQLOZEOSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000348112733 264343548 /nfs/dbraw/zinc/34/35/48/264343548.db2.gz REYQYJLOINZTNV-QRQLOZEOSA-N 2 1 304.478 3.474 20 0 DGADMP CCc1ccc(C[N@H+]2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cn1 ZINC000348185822 264359154 /nfs/dbraw/zinc/35/91/54/264359154.db2.gz KZIIJMNPYKPQCZ-GOSISDBHSA-N 2 1 324.472 3.475 20 0 DGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000348217873 264367851 /nfs/dbraw/zinc/36/78/51/264367851.db2.gz HUCVHOPBZQEWGX-QFBILLFUSA-N 2 1 304.478 3.025 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348222838 264368766 /nfs/dbraw/zinc/36/87/66/264368766.db2.gz AOBIZQOBINDOLX-QZTJIDSGSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348222838 264368767 /nfs/dbraw/zinc/36/87/67/264368767.db2.gz AOBIZQOBINDOLX-QZTJIDSGSA-N 2 1 320.452 3.291 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348222838 264368768 /nfs/dbraw/zinc/36/87/68/264368768.db2.gz AOBIZQOBINDOLX-QZTJIDSGSA-N 2 1 320.452 3.291 20 0 DGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000348253186 264375857 /nfs/dbraw/zinc/37/58/57/264375857.db2.gz HOSNAKMQPDIBFR-YLJYHZDGSA-N 2 1 318.505 3.415 20 0 DGADMP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000348381256 264399463 /nfs/dbraw/zinc/39/94/63/264399463.db2.gz CLTGCKVPYNTXFG-XCDZQEORSA-N 2 1 302.437 3.377 20 0 DGADMP CC1CCC([NH+]2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000351594276 264745251 /nfs/dbraw/zinc/74/52/51/264745251.db2.gz GAYAHKNSTGNZQM-XBMUEBEBSA-N 2 1 307.526 3.057 20 0 DGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000182787777 432228912 /nfs/dbraw/zinc/22/89/12/432228912.db2.gz HAIYUGJSAITNRC-UHFFFAOYSA-N 2 1 320.481 3.281 20 0 DGADMP Brc1ccc(C[N@@H+](CCn2ccnc2)CC2CC2)o1 ZINC000352459135 265056120 /nfs/dbraw/zinc/05/61/20/265056120.db2.gz UMWCYKPCEONYNA-UHFFFAOYSA-N 2 1 324.222 3.151 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000352507950 265074196 /nfs/dbraw/zinc/07/41/96/265074196.db2.gz FIDDEBYGUXQKSF-AWEZNQCLSA-N 2 1 316.367 3.331 20 0 DGADMP [NH3+]CCC[N@@H+](Cc1nccn1-c1ccccc1)CC1CCCC1 ZINC000352546266 265084554 /nfs/dbraw/zinc/08/45/54/265084554.db2.gz SFEUNNJIRKYCKG-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP [NH3+]CCC[N@H+](Cc1nccn1-c1ccccc1)CC1CCCC1 ZINC000352546266 265084556 /nfs/dbraw/zinc/08/45/56/265084556.db2.gz SFEUNNJIRKYCKG-UHFFFAOYSA-N 2 1 312.461 3.213 20 0 DGADMP CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000352732256 265145078 /nfs/dbraw/zinc/14/50/78/265145078.db2.gz NWSCHOUBGLUPFZ-DOTOQJQBSA-N 2 1 301.478 3.387 20 0 DGADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Cc1cccs1 ZINC000352752393 265152946 /nfs/dbraw/zinc/15/29/46/265152946.db2.gz YNZIIBLNEKVGON-LBPRGKRZSA-N 2 1 309.504 3.235 20 0 DGADMP CSCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352826706 265183538 /nfs/dbraw/zinc/18/35/38/265183538.db2.gz SGAXWIXCZPEDSG-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP CSCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352826706 265183542 /nfs/dbraw/zinc/18/35/42/265183542.db2.gz SGAXWIXCZPEDSG-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP CSCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352826706 265183547 /nfs/dbraw/zinc/18/35/47/265183547.db2.gz SGAXWIXCZPEDSG-SFHVURJKSA-N 2 1 304.503 3.338 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352964578 265247435 /nfs/dbraw/zinc/24/74/35/265247435.db2.gz DAYKDVNBXBLGBF-CPUCHLNUSA-N 2 1 304.409 3.256 20 0 DGADMP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352964578 265247439 /nfs/dbraw/zinc/24/74/39/265247439.db2.gz DAYKDVNBXBLGBF-CPUCHLNUSA-N 2 1 304.409 3.256 20 0 DGADMP Cc1cc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)on1 ZINC000353086336 265293174 /nfs/dbraw/zinc/29/31/74/265293174.db2.gz MAQWZWMZAZDEDI-UHFFFAOYSA-N 2 1 315.461 3.273 20 0 DGADMP CN(Cc1cccc(OC(C)(C)C)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353157776 265322876 /nfs/dbraw/zinc/32/28/76/265322876.db2.gz WMOCEFIPTBEALO-SJPCQFCGSA-N 2 1 317.477 3.316 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC(F)(F)CC1 ZINC000353247400 265360586 /nfs/dbraw/zinc/36/05/86/265360586.db2.gz ZDAGTGGUYHUKID-ZBFHGGJFSA-N 2 1 318.452 3.027 20 0 DGADMP CSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000353328607 265391637 /nfs/dbraw/zinc/39/16/37/265391637.db2.gz GIHXPXMYYAZZCJ-WBVHZDCISA-N 2 1 322.518 3.152 20 0 DGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C)c1 ZINC000353501869 265447003 /nfs/dbraw/zinc/44/70/03/265447003.db2.gz JOQCJSRCMVBELP-HXUWFJFHSA-N 2 1 317.521 3.309 20 0 DGADMP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1c1ncc[nH]1 ZINC000355329552 266040416 /nfs/dbraw/zinc/04/04/16/266040416.db2.gz JLVDUEYESYPPTQ-IMJJTQAJSA-N 2 1 314.433 3.005 20 0 DGADMP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1c1ncc[nH]1 ZINC000355329552 266040418 /nfs/dbraw/zinc/04/04/18/266040418.db2.gz JLVDUEYESYPPTQ-IMJJTQAJSA-N 2 1 314.433 3.005 20 0 DGADMP COc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1C ZINC000355359845 266050510 /nfs/dbraw/zinc/05/05/10/266050510.db2.gz CMGJYXGMVBQFAF-MRXNPFEDSA-N 2 1 313.445 3.192 20 0 DGADMP COC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752970 266173434 /nfs/dbraw/zinc/17/34/34/266173434.db2.gz XWYZKBIWJJXUJZ-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355752970 266173436 /nfs/dbraw/zinc/17/34/36/266173436.db2.gz XWYZKBIWJJXUJZ-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355752970 266173437 /nfs/dbraw/zinc/17/34/37/266173437.db2.gz XWYZKBIWJJXUJZ-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP COC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355752970 266173439 /nfs/dbraw/zinc/17/34/39/266173439.db2.gz XWYZKBIWJJXUJZ-IEBWSBKVSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CC[C@@H](CSCCCCSC[C@H]2CC[N@H+](C)C2)C1 ZINC000355925460 266231187 /nfs/dbraw/zinc/23/11/87/266231187.db2.gz ALCQJXQJEFUHLH-IYBDPMFKSA-N 2 1 316.580 3.136 20 0 DGADMP C[NH+]1CC[C@H](CSCCCCSC[C@@H]2CC[N@H+](C)C2)C1 ZINC000355925460 266231189 /nfs/dbraw/zinc/23/11/89/266231189.db2.gz ALCQJXQJEFUHLH-IYBDPMFKSA-N 2 1 316.580 3.136 20 0 DGADMP C[NH+]1CC[C@H](CSCCCCSC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000355925460 266231192 /nfs/dbraw/zinc/23/11/92/266231192.db2.gz ALCQJXQJEFUHLH-IYBDPMFKSA-N 2 1 316.580 3.136 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000356175463 266308209 /nfs/dbraw/zinc/30/82/09/266308209.db2.gz LJQGUHFONJNELE-GFCCVEGCSA-N 2 1 309.816 3.452 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCn2cncc2C1 ZINC000356298799 266344896 /nfs/dbraw/zinc/34/48/96/266344896.db2.gz PVDFMOHVHSPCGG-JYRVWZFOSA-N 2 1 319.355 3.404 20 0 DGADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCn2cncc2C1 ZINC000356298799 266344900 /nfs/dbraw/zinc/34/49/00/266344900.db2.gz PVDFMOHVHSPCGG-JYRVWZFOSA-N 2 1 319.355 3.404 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191265750 432242358 /nfs/dbraw/zinc/24/23/58/432242358.db2.gz FKDFDMRSNRASGQ-ZIAGYGMSSA-N 2 1 303.454 3.264 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191265766 432243032 /nfs/dbraw/zinc/24/30/32/432243032.db2.gz FKDFDMRSNRASGQ-KGLIPLIRSA-N 2 1 303.454 3.264 20 0 DGADMP Cc1ccccc1NC(=O)[C@@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247684907 432246664 /nfs/dbraw/zinc/24/66/64/432246664.db2.gz UTZWXGSDGVBBBI-IAGOWNOFSA-N 2 1 317.477 3.128 20 0 DGADMP c1c[nH]c([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614038 271051273 /nfs/dbraw/zinc/05/12/73/271051273.db2.gz GZPQXYRSPNFKIF-RHSMWYFYSA-N 2 1 302.466 3.105 20 0 DGADMP COc1ccc2oc(C[N@H+]3CC[C@@H](c4nccn4C)C3)cc2c1 ZINC000367708636 271068539 /nfs/dbraw/zinc/06/85/39/271068539.db2.gz VJDSIXWKUKNORV-CYBMUJFWSA-N 2 1 311.385 3.164 20 0 DGADMP Cc1noc(C)c1CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531172 271165069 /nfs/dbraw/zinc/16/50/69/271165069.db2.gz UATHSQKTTXACGU-LJQANCHMSA-N 2 1 313.445 3.293 20 0 DGADMP Cc1ncc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368530416 271165187 /nfs/dbraw/zinc/16/51/87/271165187.db2.gz MDAHYQQRKHSVEZ-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)s1 ZINC000368530416 271165191 /nfs/dbraw/zinc/16/51/91/271165191.db2.gz MDAHYQQRKHSVEZ-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000368530416 271165195 /nfs/dbraw/zinc/16/51/95/271165195.db2.gz MDAHYQQRKHSVEZ-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP Cc1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368530416 271165198 /nfs/dbraw/zinc/16/51/98/271165198.db2.gz MDAHYQQRKHSVEZ-SFHVURJKSA-N 2 1 315.486 3.453 20 0 DGADMP C[N@@H+]1CCCC12CC[NH+](CCCCC(=O)OC(C)(C)C)CC2 ZINC000368614669 271180924 /nfs/dbraw/zinc/18/09/24/271180924.db2.gz RIYRIJKJOIKVPN-UHFFFAOYSA-N 2 1 310.482 3.059 20 0 DGADMP C[N@H+]1CCCC12CC[NH+](CCCCC(=O)OC(C)(C)C)CC2 ZINC000368614669 271180928 /nfs/dbraw/zinc/18/09/28/271180928.db2.gz RIYRIJKJOIKVPN-UHFFFAOYSA-N 2 1 310.482 3.059 20 0 DGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1OC ZINC000369202019 271250798 /nfs/dbraw/zinc/25/07/98/271250798.db2.gz FJSOQQBJQYSFRO-UHFFFAOYSA-N 2 1 318.461 3.012 20 0 DGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1F ZINC000369213622 271252037 /nfs/dbraw/zinc/25/20/37/271252037.db2.gz GULAXGLIAZKCCL-UHFFFAOYSA-N 2 1 306.425 3.142 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000369212902 271252106 /nfs/dbraw/zinc/25/21/06/271252106.db2.gz FXRNYOLIWPLDKQ-LJQANCHMSA-N 2 1 311.473 3.415 20 0 DGADMP Cn1cccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000369212902 271252107 /nfs/dbraw/zinc/25/21/07/271252107.db2.gz FXRNYOLIWPLDKQ-LJQANCHMSA-N 2 1 311.473 3.415 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2O1 ZINC000369539210 271289185 /nfs/dbraw/zinc/28/91/85/271289185.db2.gz HJKUIWSTIAOOAI-IRXDYDNUSA-N 2 1 300.446 3.117 20 0 DGADMP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2O1 ZINC000369539210 271289188 /nfs/dbraw/zinc/28/91/88/271289188.db2.gz HJKUIWSTIAOOAI-IRXDYDNUSA-N 2 1 300.446 3.117 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000369649097 271305558 /nfs/dbraw/zinc/30/55/58/271305558.db2.gz POGLWNWLSQCUCQ-MLYOOKFZSA-N 2 1 315.505 3.221 20 0 DGADMP C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711276 271385174 /nfs/dbraw/zinc/38/51/74/271385174.db2.gz PDIYENFAWOQRFX-PKOBYXMFSA-N 2 1 321.553 3.161 20 0 DGADMP C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711273 271385419 /nfs/dbraw/zinc/38/54/19/271385419.db2.gz PDIYENFAWOQRFX-HKUYNNGSSA-N 2 1 321.553 3.161 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000247972796 432255869 /nfs/dbraw/zinc/25/58/69/432255869.db2.gz HNBPBKDPFTWHPS-UCLAIMLFSA-N 2 1 313.445 3.382 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247960487 432256568 /nfs/dbraw/zinc/25/65/68/432256568.db2.gz GDJPQDIYRPAOKZ-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247960487 432256572 /nfs/dbraw/zinc/25/65/72/432256572.db2.gz GDJPQDIYRPAOKZ-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247960487 432256577 /nfs/dbraw/zinc/25/65/77/432256577.db2.gz GDJPQDIYRPAOKZ-RHSMWYFYSA-N 2 1 308.853 3.135 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000268845923 274076189 /nfs/dbraw/zinc/07/61/89/274076189.db2.gz AIIFHRZJRDYPLY-JKSUJKDBSA-N 2 1 316.445 3.425 20 0 DGADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC000422878568 274110842 /nfs/dbraw/zinc/11/08/42/274110842.db2.gz KHNBFSGAEXDLEW-GJZGRUSLSA-N 2 1 316.367 3.464 20 0 DGADMP C[C@@H]1CC2(C[N@@H+]1Cc1nc(C(F)(F)F)cs1)CC[NH2+]CC2 ZINC000424286009 274284263 /nfs/dbraw/zinc/28/42/63/274284263.db2.gz GQRVVEUTROYPFZ-SNVBAGLBSA-N 2 1 319.396 3.126 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(C(F)(F)F)cs1)CC[NH2+]CC2 ZINC000424286009 274284264 /nfs/dbraw/zinc/28/42/64/274284264.db2.gz GQRVVEUTROYPFZ-SNVBAGLBSA-N 2 1 319.396 3.126 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163369470 274339907 /nfs/dbraw/zinc/33/99/07/274339907.db2.gz DESHCZBFOIABPK-CXHZTBPHSA-N 2 1 321.896 3.237 20 0 DGADMP Brc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420370611 275370764 /nfs/dbraw/zinc/37/07/64/275370764.db2.gz JUDMVFICBRVUHR-CYBMUJFWSA-N 2 1 323.278 3.197 20 0 DGADMP COCC[N@H+](C)CCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000513179151 429360938 /nfs/dbraw/zinc/36/09/38/429360938.db2.gz QOGPNBINSYRNET-UHFFFAOYSA-N 2 1 301.434 3.232 20 0 DGADMP COCC[N@@H+](C)CCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000513179151 429360942 /nfs/dbraw/zinc/36/09/42/429360942.db2.gz QOGPNBINSYRNET-UHFFFAOYSA-N 2 1 301.434 3.232 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCC1 ZINC000193964558 276018427 /nfs/dbraw/zinc/01/84/27/276018427.db2.gz AZKDAENJBBZYTJ-XMTFNYHQSA-N 2 1 306.494 3.044 20 0 DGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440108713 276097707 /nfs/dbraw/zinc/09/77/07/276097707.db2.gz RUBOQVSNBCXBQE-AEFFLSMTSA-N 2 1 323.525 3.020 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000268932872 276228975 /nfs/dbraw/zinc/22/89/75/276228975.db2.gz YBEICWJIIODOEG-XOKHGSTOSA-N 2 1 310.869 3.347 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000151130342 276263603 /nfs/dbraw/zinc/26/36/03/276263603.db2.gz NGNBICLPVVXQQN-GJZGRUSLSA-N 2 1 307.457 3.274 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000292309745 276306798 /nfs/dbraw/zinc/30/67/98/276306798.db2.gz ANFOSQFPFNHJNX-PKOBYXMFSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000292309745 276306799 /nfs/dbraw/zinc/30/67/99/276306799.db2.gz ANFOSQFPFNHJNX-PKOBYXMFSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000292309745 276306800 /nfs/dbraw/zinc/30/68/00/276306800.db2.gz ANFOSQFPFNHJNX-PKOBYXMFSA-N 2 1 304.478 3.426 20 0 DGADMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278469477 276376479 /nfs/dbraw/zinc/37/64/79/276376479.db2.gz JRPSTZGCRLISOC-DLBZAZTESA-N 2 1 320.477 3.237 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000268665922 277043837 /nfs/dbraw/zinc/04/38/37/277043837.db2.gz SLOPOZZTJZUIJP-GOSISDBHSA-N 2 1 302.462 3.446 20 0 DGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414176441 277083334 /nfs/dbraw/zinc/08/33/34/277083334.db2.gz IDIKAYBBAVDRRB-HOCLYGCPSA-N 2 1 303.450 3.028 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)cc4cccnc43)CC[C@H]21 ZINC000247951770 277083934 /nfs/dbraw/zinc/08/39/34/277083934.db2.gz FDCVYZYFIFMPFA-MAUKXSAKSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CC[C@H]21 ZINC000247951770 277083936 /nfs/dbraw/zinc/08/39/36/277083936.db2.gz FDCVYZYFIFMPFA-MAUKXSAKSA-N 2 1 313.420 3.290 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CC[C@H]21 ZINC000247951770 277083937 /nfs/dbraw/zinc/08/39/37/277083937.db2.gz FDCVYZYFIFMPFA-MAUKXSAKSA-N 2 1 313.420 3.290 20 0 DGADMP CCc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019064 430200897 /nfs/dbraw/zinc/20/08/97/430200897.db2.gz FFDBYDDLUFSIRI-UKRRQHHQSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019064 430200901 /nfs/dbraw/zinc/20/09/01/430200901.db2.gz FFDBYDDLUFSIRI-UKRRQHHQSA-N 2 1 302.466 3.412 20 0 DGADMP CCc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019064 430200903 /nfs/dbraw/zinc/20/09/03/430200903.db2.gz FFDBYDDLUFSIRI-UKRRQHHQSA-N 2 1 302.466 3.412 20 0 DGADMP COC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000425947664 277248115 /nfs/dbraw/zinc/24/81/15/277248115.db2.gz VYZMJKKTEATOMX-SWLSCSKDSA-N 2 1 318.383 3.180 20 0 DGADMP COCc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH+]2C)o1 ZINC000342480369 277270755 /nfs/dbraw/zinc/27/07/55/277270755.db2.gz UCLWEJFWXKQEAV-DOTOQJQBSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH+]2C)o1 ZINC000342480369 277270757 /nfs/dbraw/zinc/27/07/57/277270757.db2.gz UCLWEJFWXKQEAV-DOTOQJQBSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000342480369 277270758 /nfs/dbraw/zinc/27/07/58/277270758.db2.gz UCLWEJFWXKQEAV-DOTOQJQBSA-N 2 1 306.450 3.437 20 0 DGADMP COCc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000342480369 277270759 /nfs/dbraw/zinc/27/07/59/277270759.db2.gz UCLWEJFWXKQEAV-DOTOQJQBSA-N 2 1 306.450 3.437 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000268775212 277981316 /nfs/dbraw/zinc/98/13/16/277981316.db2.gz VIMZKAVWKYMWPE-IBGZPJMESA-N 2 1 300.446 3.289 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000247933205 278029759 /nfs/dbraw/zinc/02/97/59/278029759.db2.gz CFBWWXBNBSJCTC-BWPNAZKDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933205 278029761 /nfs/dbraw/zinc/02/97/61/278029761.db2.gz CFBWWXBNBSJCTC-BWPNAZKDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933205 278029764 /nfs/dbraw/zinc/02/97/64/278029764.db2.gz CFBWWXBNBSJCTC-BWPNAZKDSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422928049 278220752 /nfs/dbraw/zinc/22/07/52/278220752.db2.gz IQDLCSNOIQAZOL-TYNCELHUSA-N 2 1 311.267 3.110 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000131454871 292655399 /nfs/dbraw/zinc/65/53/99/292655399.db2.gz VRECMKCEKNXROW-QGZVFWFLSA-N 2 1 314.477 3.314 20 0 DGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000285140827 278334513 /nfs/dbraw/zinc/33/45/13/278334513.db2.gz LWSOEGLADPBIET-HSFDUWRESA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414860463 278336248 /nfs/dbraw/zinc/33/62/48/278336248.db2.gz VNTXLRZEFNJLFH-VXNCWWDNSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417317665 278343735 /nfs/dbraw/zinc/34/37/35/278343735.db2.gz XEKWNVSNTAWWOV-LTIDMASMSA-N 2 1 322.518 3.067 20 0 DGADMP C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423060615 278349285 /nfs/dbraw/zinc/34/92/85/278349285.db2.gz IPUIXOKPUKUQKO-QRWLVFNGSA-N 2 1 324.472 3.055 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000278882812 278355326 /nfs/dbraw/zinc/35/53/26/278355326.db2.gz CSQHYBZUUWWMRG-ZIAGYGMSSA-N 2 1 316.424 3.001 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195191 278373748 /nfs/dbraw/zinc/37/37/48/278373748.db2.gz NITRMTASULPQLE-PSBWJHGTSA-N 2 1 302.462 3.054 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422747635 279040415 /nfs/dbraw/zinc/04/04/15/279040415.db2.gz ZDTHYJBTPMFZPB-SLFFLAALSA-N 3 1 315.505 3.149 20 0 DGADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422747635 279040417 /nfs/dbraw/zinc/04/04/17/279040417.db2.gz ZDTHYJBTPMFZPB-SLFFLAALSA-N 2 1 315.505 3.149 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422747635 279040420 /nfs/dbraw/zinc/04/04/20/279040420.db2.gz ZDTHYJBTPMFZPB-SLFFLAALSA-N 2 1 315.505 3.149 20 0 DGADMP Clc1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312865 279292280 /nfs/dbraw/zinc/29/22/80/279292280.db2.gz XLUDOIVXWYMZDT-BBRMVZONSA-N 2 1 310.894 3.430 20 0 DGADMP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000282118099 279324167 /nfs/dbraw/zinc/32/41/67/279324167.db2.gz QITDEBRMZGMFEP-YUELXQCFSA-N 2 1 312.379 3.302 20 0 DGADMP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000282118099 279324169 /nfs/dbraw/zinc/32/41/69/279324169.db2.gz QITDEBRMZGMFEP-YUELXQCFSA-N 2 1 312.379 3.302 20 0 DGADMP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000282118099 279324171 /nfs/dbraw/zinc/32/41/71/279324171.db2.gz QITDEBRMZGMFEP-YUELXQCFSA-N 2 1 312.379 3.302 20 0 DGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718519 279414516 /nfs/dbraw/zinc/41/45/16/279414516.db2.gz PVVZNYPHGJGYDI-ICSRJNTNSA-N 2 1 317.521 3.191 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278990480 279466049 /nfs/dbraw/zinc/46/60/49/279466049.db2.gz QBFSEWCFBVATHU-CZUORRHYSA-N 2 1 315.392 3.088 20 0 DGADMP COc1ccc(CC[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000111300288 431208632 /nfs/dbraw/zinc/20/86/32/431208632.db2.gz AGRUQHZKPLROGN-UHFFFAOYSA-N 2 1 302.462 3.234 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070171117 431242550 /nfs/dbraw/zinc/24/25/50/431242550.db2.gz SMTZGXMRPXZDFF-AWEZNQCLSA-N 2 1 301.459 3.371 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000113515715 431352368 /nfs/dbraw/zinc/35/23/68/431352368.db2.gz OMXSNAXHKXAEDJ-CQSZACIVSA-N 2 1 316.367 3.011 20 0 DGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000113515715 431352373 /nfs/dbraw/zinc/35/23/73/431352373.db2.gz OMXSNAXHKXAEDJ-CQSZACIVSA-N 2 1 316.367 3.011 20 0 DGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859111 431353291 /nfs/dbraw/zinc/35/32/91/431353291.db2.gz XHAGMLJUJRYUFV-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859111 431353298 /nfs/dbraw/zinc/35/32/98/431353298.db2.gz XHAGMLJUJRYUFV-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCCOc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000072859111 431353309 /nfs/dbraw/zinc/35/33/09/431353309.db2.gz XHAGMLJUJRYUFV-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CCCOc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000072859111 431353318 /nfs/dbraw/zinc/35/33/18/431353318.db2.gz XHAGMLJUJRYUFV-QGZVFWFLSA-N 2 1 320.477 3.128 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000076002909 431513347 /nfs/dbraw/zinc/51/33/47/431513347.db2.gz MATWDEVBOVGBJS-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000076002909 431513353 /nfs/dbraw/zinc/51/33/53/431513353.db2.gz MATWDEVBOVGBJS-OAHLLOKOSA-N 2 1 312.404 3.452 20 0 DGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414183005 280188269 /nfs/dbraw/zinc/18/82/69/280188269.db2.gz NLXBREOEJIVGHJ-DOTOQJQBSA-N 2 1 318.461 3.230 20 0 DGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432449255 280325244 /nfs/dbraw/zinc/32/52/44/280325244.db2.gz UNNQWRSLTCPWNV-MJGOQNOKSA-N 2 1 304.478 3.474 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036988 280334886 /nfs/dbraw/zinc/33/48/86/280334886.db2.gz RYMYORVAPYQTSR-ALKREAHSSA-N 2 1 318.461 3.227 20 0 DGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000248036988 280334887 /nfs/dbraw/zinc/33/48/87/280334887.db2.gz RYMYORVAPYQTSR-ALKREAHSSA-N 2 1 318.461 3.227 20 0 DGADMP COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1OC ZINC000027717355 431693150 /nfs/dbraw/zinc/69/31/50/431693150.db2.gz ZLZJTOWNTROKRL-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1OC ZINC000027717355 431693153 /nfs/dbraw/zinc/69/31/53/431693153.db2.gz ZLZJTOWNTROKRL-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)o1 ZINC000447581037 280649310 /nfs/dbraw/zinc/64/93/10/280649310.db2.gz RVSSDSWATWWXJC-JVPBZIDWSA-N 2 1 320.477 3.315 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(OC)c1 ZINC000121503911 431796273 /nfs/dbraw/zinc/79/62/73/431796273.db2.gz CGGCVPVSHJANCO-KBPBESRZSA-N 2 1 317.433 3.196 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(OC)c1 ZINC000121504046 431796597 /nfs/dbraw/zinc/79/65/97/431796597.db2.gz CGGCVPVSHJANCO-KGLIPLIRSA-N 2 1 317.433 3.196 20 0 DGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000121408942 431783419 /nfs/dbraw/zinc/78/34/19/431783419.db2.gz RZVFXNMXVNSNRV-KGLIPLIRSA-N 2 1 314.433 3.137 20 0 DGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000122976144 431850861 /nfs/dbraw/zinc/85/08/61/431850861.db2.gz DMCMFWRIJICRAW-AWEZNQCLSA-N 2 1 304.434 3.330 20 0 DGADMP CC1(C)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000123003537 431851805 /nfs/dbraw/zinc/85/18/05/431851805.db2.gz RIOMRWZXTDSPGQ-RBUKOAKNSA-N 2 1 316.489 3.005 20 0 DGADMP C[NH+]1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000089551987 431870197 /nfs/dbraw/zinc/87/01/97/431870197.db2.gz IHJYBZZGIROEAP-UHFFFAOYSA-N 2 1 322.880 3.072 20 0 DGADMP C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000089614597 431872039 /nfs/dbraw/zinc/87/20/39/431872039.db2.gz YNPZEEFMWJVJSJ-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000089614597 431872041 /nfs/dbraw/zinc/87/20/41/431872041.db2.gz YNPZEEFMWJVJSJ-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP C[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000089614597 431872042 /nfs/dbraw/zinc/87/20/42/431872042.db2.gz YNPZEEFMWJVJSJ-QUCCMNQESA-N 2 1 315.505 3.067 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253569 431908650 /nfs/dbraw/zinc/90/86/50/431908650.db2.gz OSWQZTSYKOOYMF-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253569 431908651 /nfs/dbraw/zinc/90/86/51/431908651.db2.gz OSWQZTSYKOOYMF-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253569 431908653 /nfs/dbraw/zinc/90/86/53/431908653.db2.gz OSWQZTSYKOOYMF-SFHVURJKSA-N 2 1 304.478 3.495 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093088868 431913563 /nfs/dbraw/zinc/91/35/63/431913563.db2.gz SAYCCSXQUHNHJK-UHFFFAOYSA-N 2 1 304.478 3.495 20 0 DGADMP COC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000125213933 431917293 /nfs/dbraw/zinc/91/72/93/431917293.db2.gz IPOHHRUXFCSLPI-DNVCBOLYSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535365 431875015 /nfs/dbraw/zinc/87/50/15/431875015.db2.gz YGQALQWYGSIILV-OLZOCXBDSA-N 2 1 311.267 3.442 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535369 431875587 /nfs/dbraw/zinc/87/55/87/431875587.db2.gz YGQALQWYGSIILV-CHWSQXEVSA-N 2 1 311.267 3.442 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(Cl)c2)[C@H](C)C1 ZINC000090115804 431890341 /nfs/dbraw/zinc/89/03/41/431890341.db2.gz POYNAVIGOKCGQR-CPUCHLNUSA-N 2 1 310.869 3.427 20 0 DGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000124507414 431896206 /nfs/dbraw/zinc/89/62/06/431896206.db2.gz WHPVWWRGUYZEAG-IBGZPJMESA-N 2 1 321.484 3.140 20 0 DGADMP COCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000124500073 431896454 /nfs/dbraw/zinc/89/64/54/431896454.db2.gz ICAKQYXMRHUJRD-BPIHKTFHSA-N 2 1 302.462 3.197 20 0 DGADMP Cc1nccn1CCC[N@H+](C)Cc1ccccc1Br ZINC000124669283 431901143 /nfs/dbraw/zinc/90/11/43/431901143.db2.gz NNAXSSSGNFNOID-UHFFFAOYSA-N 2 1 322.250 3.476 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000091859978 431905805 /nfs/dbraw/zinc/90/58/05/431905805.db2.gz ZILAYMDBUMDQOR-IAGOWNOFSA-N 2 1 315.505 3.447 20 0 DGADMP CCO[C@@H]1C[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125497905 431927717 /nfs/dbraw/zinc/92/77/17/431927717.db2.gz ZDSIBZQVEXRAHK-DLBZAZTESA-N 2 1 305.466 3.251 20 0 DGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C12CCC2 ZINC000125497905 431927718 /nfs/dbraw/zinc/92/77/18/431927718.db2.gz ZDSIBZQVEXRAHK-DLBZAZTESA-N 2 1 305.466 3.251 20 0 DGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126482815 431951057 /nfs/dbraw/zinc/95/10/57/431951057.db2.gz CLCCGZACTUHVQJ-LJQANCHMSA-N 2 1 321.484 3.235 20 0 DGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000098150336 431980486 /nfs/dbraw/zinc/98/04/86/431980486.db2.gz MKCUXLHPVTYZCS-FUHWJXTLSA-N 2 1 322.880 3.010 20 0 DGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CC3 ZINC000415063908 281032060 /nfs/dbraw/zinc/03/20/60/281032060.db2.gz JAPLSVUVSQQFON-YWZLYKJASA-N 2 1 311.473 3.441 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H](C)C2 ZINC000180516373 281091960 /nfs/dbraw/zinc/09/19/60/281091960.db2.gz VPRKHFLAHMWTQV-POAQFYNOSA-N 2 1 316.489 3.055 20 0 DGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423126816 281123585 /nfs/dbraw/zinc/12/35/85/281123585.db2.gz JCMJNRXKDJKBLR-VBSBHUPXSA-N 2 1 314.473 3.119 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000102422217 431993433 /nfs/dbraw/zinc/99/34/33/431993433.db2.gz KLDVEZGTVBFFRT-HTXNQAPBSA-N 2 1 315.505 3.097 20 0 DGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343884158 281381126 /nfs/dbraw/zinc/38/11/26/281381126.db2.gz DGIZBVQRPHMMRX-HBFSDRIKSA-N 2 1 315.505 3.014 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)[C@@H](C)C1 ZINC000248159882 432272750 /nfs/dbraw/zinc/27/27/50/432272750.db2.gz RYOMILYBWKPHLP-MAUKXSAKSA-N 2 1 302.462 3.295 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)[C@@H](C)C1 ZINC000248159882 432272755 /nfs/dbraw/zinc/27/27/55/432272755.db2.gz RYOMILYBWKPHLP-MAUKXSAKSA-N 2 1 302.462 3.295 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000151767847 432275360 /nfs/dbraw/zinc/27/53/60/432275360.db2.gz GIBZUDDAPNAXSE-ZDUSSCGKSA-N 2 1 312.392 3.305 20 0 DGADMP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCO1 ZINC000248424014 432289453 /nfs/dbraw/zinc/28/94/53/432289453.db2.gz ZPBNZTCPIZZXHC-IYWMVGAKSA-N 2 1 314.473 3.056 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000270792026 432290417 /nfs/dbraw/zinc/29/04/17/432290417.db2.gz CNQOYKJJDMLHQX-UHFFFAOYSA-N 2 1 308.223 3.086 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(Br)c1 ZINC000270792026 432290421 /nfs/dbraw/zinc/29/04/21/432290421.db2.gz CNQOYKJJDMLHQX-UHFFFAOYSA-N 2 1 308.223 3.086 20 0 DGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000248438270 432292096 /nfs/dbraw/zinc/29/20/96/432292096.db2.gz HSLPSQYVNPFPQC-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000248462464 432295044 /nfs/dbraw/zinc/29/50/44/432295044.db2.gz YIJVFVRIUUHUFU-PXNSSMCTSA-N 2 1 314.473 3.089 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc(C)c1F ZINC000128688322 431998422 /nfs/dbraw/zinc/99/84/22/431998422.db2.gz XLQAEQBRZBJURV-KRWDZBQOSA-N 2 1 321.484 3.121 20 0 DGADMP COc1cccc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1 ZINC000270589469 432262372 /nfs/dbraw/zinc/26/23/72/432262372.db2.gz DWGRHCHTSCUWPP-UHFFFAOYSA-N 2 1 313.445 3.470 20 0 DGADMP CSCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248067454 432266064 /nfs/dbraw/zinc/26/60/64/432266064.db2.gz MHZNRXHJZPFGAK-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248067454 432266066 /nfs/dbraw/zinc/26/60/66/432266066.db2.gz MHZNRXHJZPFGAK-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP CSCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248067454 432266070 /nfs/dbraw/zinc/26/60/70/432266070.db2.gz MHZNRXHJZPFGAK-ROUUACIJSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183195745 432267221 /nfs/dbraw/zinc/26/72/21/432267221.db2.gz VOASQTQUCBZVJG-IJEWVQPXSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183195745 432267223 /nfs/dbraw/zinc/26/72/23/432267223.db2.gz VOASQTQUCBZVJG-IJEWVQPXSA-N 2 1 304.482 3.032 20 0 DGADMP Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000248753960 432316737 /nfs/dbraw/zinc/31/67/37/432316737.db2.gz CJTUAULOQYHVLS-KOQQBVACSA-N 2 1 313.489 3.179 20 0 DGADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000248881282 432325105 /nfs/dbraw/zinc/32/51/05/432325105.db2.gz KVHWBRGPEVWSEJ-NPYXIHBLSA-N 2 1 308.853 3.242 20 0 DGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000152457815 432334541 /nfs/dbraw/zinc/33/45/41/432334541.db2.gz YRMDHZAMABMBPZ-ZIAGYGMSSA-N 2 1 305.441 3.027 20 0 DGADMP CC[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000192121912 432335606 /nfs/dbraw/zinc/33/56/06/432335606.db2.gz PGMQPDDVZBDXMI-DJIMGWMZSA-N 2 1 322.493 3.055 20 0 DGADMP CC(C)c1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152509359 432337885 /nfs/dbraw/zinc/33/78/85/432337885.db2.gz PSSJCJJACKSUAU-INIZCTEOSA-N 2 1 317.477 3.022 20 0 DGADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000183960579 432340152 /nfs/dbraw/zinc/34/01/52/432340152.db2.gz XLIGJTQCCNJEEQ-DLBZAZTESA-N 2 1 314.473 3.333 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000249381172 432345760 /nfs/dbraw/zinc/34/57/60/432345760.db2.gz RLLPYEICVWNTNP-OLZOCXBDSA-N 2 1 311.267 3.442 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000253185841 432387463 /nfs/dbraw/zinc/38/74/63/432387463.db2.gz IMDOQJBUFSSHBG-DGCLKSJQSA-N 2 1 302.340 3.002 20 0 DGADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000261540836 432429569 /nfs/dbraw/zinc/42/95/69/432429569.db2.gz FIQYLEZJZHJYQS-OXJNMPFZSA-N 2 1 310.441 3.435 20 0 DGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000261563714 432430432 /nfs/dbraw/zinc/43/04/32/432430432.db2.gz XEYSVICYDZFYGA-ZDUSSCGKSA-N 2 1 303.219 3.051 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1[NH3+] ZINC000261549001 432430639 /nfs/dbraw/zinc/43/06/39/432430639.db2.gz OERVKJPPFFEQSP-QFBILLFUSA-N 2 1 310.441 3.435 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1[NH3+] ZINC000261549001 432430645 /nfs/dbraw/zinc/43/06/45/432430645.db2.gz OERVKJPPFFEQSP-QFBILLFUSA-N 2 1 310.441 3.435 20 0 DGADMP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000261554155 432431503 /nfs/dbraw/zinc/43/15/03/432431503.db2.gz TZTUKMSWYHUJPI-SFHVURJKSA-N 2 1 310.441 3.355 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000153761618 432440883 /nfs/dbraw/zinc/44/08/83/432440883.db2.gz NIZCVSYADIOCDO-ZDUSSCGKSA-N 2 1 318.383 3.324 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153813202 432444504 /nfs/dbraw/zinc/44/45/04/432444504.db2.gz PUXFVDKOTKNICK-MEBIHWHUSA-N 2 1 316.489 3.473 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)C[C@H]21 ZINC000261797820 432450211 /nfs/dbraw/zinc/45/02/11/432450211.db2.gz GTJTYZWGBWTEAB-BHIYHBOVSA-N 2 1 300.446 3.035 20 0 DGADMP C[C@H]([NH2+]Cc1cncs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272142575 432451654 /nfs/dbraw/zinc/45/16/54/432451654.db2.gz BTVVANHDGUMNNY-GOEBONIOSA-N 2 1 301.459 3.143 20 0 DGADMP C[C@H]([NH2+]Cc1cncs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272142575 432451657 /nfs/dbraw/zinc/45/16/57/432451657.db2.gz BTVVANHDGUMNNY-GOEBONIOSA-N 2 1 301.459 3.143 20 0 DGADMP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000261823011 432452332 /nfs/dbraw/zinc/45/23/32/432452332.db2.gz IMAYZBCJYUZKLJ-IAGOWNOFSA-N 2 1 317.477 3.034 20 0 DGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000261823011 432452336 /nfs/dbraw/zinc/45/23/36/432452336.db2.gz IMAYZBCJYUZKLJ-IAGOWNOFSA-N 2 1 317.477 3.034 20 0 DGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000261841744 432454117 /nfs/dbraw/zinc/45/41/17/432454117.db2.gz ZYKMQEDBXARRAX-FQEVSTJZSA-N 2 1 323.440 3.110 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912366 432459842 /nfs/dbraw/zinc/45/98/42/432459842.db2.gz XUKLHIAWEKRDFN-IBGZPJMESA-N 2 1 312.461 3.166 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912366 432459848 /nfs/dbraw/zinc/45/98/48/432459848.db2.gz XUKLHIAWEKRDFN-IBGZPJMESA-N 2 1 312.461 3.166 20 0 DGADMP CC(C)C[C@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192773122 432413431 /nfs/dbraw/zinc/41/34/31/432413431.db2.gz UOTSWXNKMIDCKR-LJQANCHMSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271531843 432416136 /nfs/dbraw/zinc/41/61/36/432416136.db2.gz SCVHVCIZTAUOCM-AOIWGVFYSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271531843 432416139 /nfs/dbraw/zinc/41/61/39/432416139.db2.gz SCVHVCIZTAUOCM-AOIWGVFYSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000262089276 432473803 /nfs/dbraw/zinc/47/38/03/432473803.db2.gz UQHHRPRMBOCAEF-CQSZACIVSA-N 2 1 322.522 3.202 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]21 ZINC000262308204 432480830 /nfs/dbraw/zinc/48/08/30/432480830.db2.gz PLDMUDJEUJVMFU-PSOPSSQASA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]21 ZINC000262308204 432480834 /nfs/dbraw/zinc/48/08/34/432480834.db2.gz PLDMUDJEUJVMFU-PSOPSSQASA-N 2 1 316.342 3.404 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1F ZINC000185239368 432480908 /nfs/dbraw/zinc/48/09/08/432480908.db2.gz JSJBZMMNZGKTST-DOTOQJQBSA-N 2 1 322.468 3.287 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]21 ZINC000262372291 432482549 /nfs/dbraw/zinc/48/25/49/432482549.db2.gz XOFQKBJFDPIJNN-KCPJHIHWSA-N 2 1 316.342 3.404 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]21 ZINC000262372291 432482552 /nfs/dbraw/zinc/48/25/52/432482552.db2.gz XOFQKBJFDPIJNN-KCPJHIHWSA-N 2 1 316.342 3.404 20 0 DGADMP C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000272346007 432486392 /nfs/dbraw/zinc/48/63/92/432486392.db2.gz PVAIRZLYOJEFOF-XYJFISCASA-N 2 1 310.445 3.038 20 0 DGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262719838 432498983 /nfs/dbraw/zinc/49/89/83/432498983.db2.gz YJOSTOLVZAJZFD-HDMKZQKVSA-N 2 1 317.477 3.373 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000154527578 432504415 /nfs/dbraw/zinc/50/44/15/432504415.db2.gz GTXGUOULBLPZIT-MRXNPFEDSA-N 2 1 323.912 3.408 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000154541307 432505632 /nfs/dbraw/zinc/50/56/32/432505632.db2.gz MQJKDCXURQROQS-SFHVURJKSA-N 2 1 303.494 3.063 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272195199 432460868 /nfs/dbraw/zinc/46/08/68/432460868.db2.gz NITRMTASULPQLE-ZAWLATJESA-N 2 1 302.462 3.054 20 0 DGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261956257 432463370 /nfs/dbraw/zinc/46/33/70/432463370.db2.gz ORXHBKIIRPVVEN-QXAKKESOSA-N 2 1 322.456 3.019 20 0 DGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2c1 ZINC000261950473 432463574 /nfs/dbraw/zinc/46/35/74/432463574.db2.gz WEYHMQVQWMQTPX-IHPCNDPISA-N 2 1 310.441 3.408 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000261950755 432464111 /nfs/dbraw/zinc/46/41/11/432464111.db2.gz NXABJSVNYRSXAP-QAPCUYQASA-N 2 1 310.445 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000261950755 432464114 /nfs/dbraw/zinc/46/41/14/432464114.db2.gz NXABJSVNYRSXAP-QAPCUYQASA-N 2 1 310.445 3.019 20 0 DGADMP [NH3+]C1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000261997128 432466967 /nfs/dbraw/zinc/46/69/67/432466967.db2.gz SZKHENOOFWMQHX-UHFFFAOYSA-N 2 1 324.350 3.019 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1C ZINC000273097178 432550416 /nfs/dbraw/zinc/55/04/16/432550416.db2.gz TXBVQJNWKORXFU-HIFRSBDPSA-N 2 1 301.434 3.495 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000154779488 432519707 /nfs/dbraw/zinc/51/97/07/432519707.db2.gz OEMHQIHDTKGIDJ-NVXWUHKLSA-N 2 1 317.477 3.244 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000154779488 432519709 /nfs/dbraw/zinc/51/97/09/432519709.db2.gz OEMHQIHDTKGIDJ-NVXWUHKLSA-N 2 1 317.477 3.244 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000154779695 432520163 /nfs/dbraw/zinc/52/01/63/432520163.db2.gz OEMHQIHDTKGIDJ-WBVHZDCISA-N 2 1 317.477 3.244 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000154779695 432520168 /nfs/dbraw/zinc/52/01/68/432520168.db2.gz OEMHQIHDTKGIDJ-WBVHZDCISA-N 2 1 317.477 3.244 20 0 DGADMP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272540481 432521284 /nfs/dbraw/zinc/52/12/84/432521284.db2.gz CLABLKYKOYRTDV-MJGOQNOKSA-N 2 1 318.505 3.285 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524516 /nfs/dbraw/zinc/52/45/16/432524516.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524521 /nfs/dbraw/zinc/52/45/21/432524521.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 3 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524526 /nfs/dbraw/zinc/52/45/26/432524526.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 3 1 317.521 3.347 20 0 DGADMP CC[N@@H+]1CC[C@@H](NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524530 /nfs/dbraw/zinc/52/45/30/432524530.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524534 /nfs/dbraw/zinc/52/45/34/432524534.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524540 /nfs/dbraw/zinc/52/45/40/432524540.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CC[NH+]1CC[C@@H](NCc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524541 /nfs/dbraw/zinc/52/45/41/432524541.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524547 /nfs/dbraw/zinc/52/45/47/432524547.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000154854593 432524549 /nfs/dbraw/zinc/52/45/49/432524549.db2.gz RSIGLCRHPODCII-YLJYHZDGSA-N 2 1 317.521 3.347 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185757601 432530120 /nfs/dbraw/zinc/53/01/20/432530120.db2.gz BJQXNPPVSZWRPN-QOKNQOGYSA-N 2 1 320.452 3.102 20 0 DGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194232226 432533622 /nfs/dbraw/zinc/53/36/22/432533622.db2.gz GQBQVDRSLSRCDQ-UHFFFAOYSA-N 2 1 320.440 3.428 20 0 DGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1C ZINC000194390785 432547529 /nfs/dbraw/zinc/54/75/29/432547529.db2.gz QKEFEOXWAFTFTG-SFHVURJKSA-N 2 1 304.478 3.461 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC000264044099 432607651 /nfs/dbraw/zinc/60/76/51/432607651.db2.gz KRZRLIVAUHVCHJ-CRAIPNDOSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000264044099 432607653 /nfs/dbraw/zinc/60/76/53/432607653.db2.gz KRZRLIVAUHVCHJ-CRAIPNDOSA-N 2 1 315.461 3.094 20 0 DGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000264044099 432607658 /nfs/dbraw/zinc/60/76/58/432607658.db2.gz KRZRLIVAUHVCHJ-CRAIPNDOSA-N 2 1 315.461 3.094 20 0 DGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000186573553 432608771 /nfs/dbraw/zinc/60/87/71/432608771.db2.gz KHEUYPWTERRJMO-RLLQIKCJSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000186573553 432608774 /nfs/dbraw/zinc/60/87/74/432608774.db2.gz KHEUYPWTERRJMO-RLLQIKCJSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186573553 432608777 /nfs/dbraw/zinc/60/87/77/432608777.db2.gz KHEUYPWTERRJMO-RLLQIKCJSA-N 2 1 317.521 3.215 20 0 DGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186573553 432608779 /nfs/dbraw/zinc/60/87/79/432608779.db2.gz KHEUYPWTERRJMO-RLLQIKCJSA-N 2 1 317.521 3.215 20 0 DGADMP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000177291821 432609489 /nfs/dbraw/zinc/60/94/89/432609489.db2.gz IVNPPHSRVUWHTE-AWEZNQCLSA-N 2 1 308.491 3.107 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273565727 432612889 /nfs/dbraw/zinc/61/28/89/432612889.db2.gz XIFYXTHZCMNKID-QZTJIDSGSA-N 2 1 317.408 3.183 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273565727 432612892 /nfs/dbraw/zinc/61/28/92/432612892.db2.gz XIFYXTHZCMNKID-QZTJIDSGSA-N 2 1 317.408 3.183 20 0 DGADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000155779192 432573656 /nfs/dbraw/zinc/57/36/56/432573656.db2.gz MCIABQVRTKAHLA-JXFKEZNVSA-N 2 1 316.489 3.433 20 0 DGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000273301301 432580389 /nfs/dbraw/zinc/58/03/89/432580389.db2.gz NALKPWRREBLPMP-HIFRSBDPSA-N 2 1 304.459 3.009 20 0 DGADMP CSc1ccccc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000194884755 432584025 /nfs/dbraw/zinc/58/40/25/432584025.db2.gz GILSOVZKNCGOAF-INIZCTEOSA-N 2 1 321.534 3.087 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCCc4ccccc4C3)cn2)cn1 ZINC000177150614 432590461 /nfs/dbraw/zinc/59/04/61/432590461.db2.gz UOJFUVFXWVDIJI-UHFFFAOYSA-N 2 1 304.397 3.216 20 0 DGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273418035 432596734 /nfs/dbraw/zinc/59/67/34/432596734.db2.gz RIFBBDYVDMAJPG-SFHVURJKSA-N 2 1 322.880 3.418 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273484236 432603661 /nfs/dbraw/zinc/60/36/61/432603661.db2.gz VGHRDTWUUFOQRQ-XABSUIGJSA-N 2 1 320.452 3.364 20 0 DGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177386259 432619410 /nfs/dbraw/zinc/61/94/10/432619410.db2.gz WUZIZMOOKRPYPR-IBGZPJMESA-N 2 1 303.494 3.096 20 0 DGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157544367 432622291 /nfs/dbraw/zinc/62/22/91/432622291.db2.gz MNCXWZMHKZJHNO-QWHCGFSZSA-N 2 1 303.837 3.447 20 0 DGADMP CCn1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000158560831 432650097 /nfs/dbraw/zinc/65/00/97/432650097.db2.gz VBVWZWSILKGTAF-IXDOHACOSA-N 2 1 306.498 3.312 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000264538221 432657446 /nfs/dbraw/zinc/65/74/46/432657446.db2.gz NTGLWUCQGHIXJH-UHFFFAOYSA-N 2 1 301.434 3.406 20 0 DGADMP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccn1 ZINC000177841860 432668119 /nfs/dbraw/zinc/66/81/19/432668119.db2.gz CYMWVRVANMGJFA-CQSZACIVSA-N 2 1 322.412 3.435 20 0 DGADMP CC(C)(O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000274758519 432705655 /nfs/dbraw/zinc/70/56/55/432705655.db2.gz DCPJCSIGDIZEPE-GUDVDZBRSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000227372332 432712605 /nfs/dbraw/zinc/71/26/05/432712605.db2.gz QQPRINPGPSTEFS-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000227372332 432712607 /nfs/dbraw/zinc/71/26/07/432712607.db2.gz QQPRINPGPSTEFS-JSGCOSHPSA-N 2 1 311.267 3.317 20 0 DGADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177910588 432673096 /nfs/dbraw/zinc/67/30/96/432673096.db2.gz VWEVIXUAGXZENL-XJKSGUPXSA-N 2 1 323.868 3.131 20 0 DGADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccsc1 ZINC000187702187 432678559 /nfs/dbraw/zinc/67/85/59/432678559.db2.gz IQSQTIQTCFHAMH-QGZVFWFLSA-N 2 1 309.523 3.207 20 0 DGADMP [NH3+]CCC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000159320827 432679951 /nfs/dbraw/zinc/67/99/51/432679951.db2.gz UEDBJKPZVIPIOY-UHFFFAOYSA-N 2 1 304.331 3.405 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000177979403 432681604 /nfs/dbraw/zinc/68/16/04/432681604.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979403 432681609 /nfs/dbraw/zinc/68/16/09/432681609.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979403 432681612 /nfs/dbraw/zinc/68/16/12/432681612.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979403 432681616 /nfs/dbraw/zinc/68/16/16/432681616.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 2 1 315.505 3.242 20 0 DGADMP CC(C)[NH+](C)Cc1cccc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979403 432681620 /nfs/dbraw/zinc/68/16/20/432681620.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 2 1 315.505 3.242 20 0 DGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000187763414 432683456 /nfs/dbraw/zinc/68/34/56/432683456.db2.gz JSWTUOQOLXWGNX-OALUTQOASA-N 2 1 304.478 3.055 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000275784969 432748780 /nfs/dbraw/zinc/74/87/80/432748780.db2.gz WKURUJFFHJQBLF-NZSAHSFTSA-N 2 1 300.446 3.179 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000178695405 432767222 /nfs/dbraw/zinc/76/72/22/432767222.db2.gz UONMKWZZDHZKAO-OAHLLOKOSA-N 2 1 310.445 3.413 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000178696601 432768121 /nfs/dbraw/zinc/76/81/21/432768121.db2.gz BXLKNNXYTJNEMT-ZIAGYGMSSA-N 2 1 317.433 3.196 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000178705179 432768359 /nfs/dbraw/zinc/76/83/59/432768359.db2.gz PGIPKFGRFUJWJN-RDTXWAMCSA-N 2 1 315.486 3.448 20 0 DGADMP Cc1noc(C)c1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266610616 432771093 /nfs/dbraw/zinc/77/10/93/432771093.db2.gz ZTMHGFHDBJEXQI-GOSISDBHSA-N 2 1 313.445 3.245 20 0 DGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275548630 432728443 /nfs/dbraw/zinc/72/84/43/432728443.db2.gz NFWYQOGKVWJPOT-NHYWBVRUSA-N 2 1 303.356 3.001 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000231460613 432732413 /nfs/dbraw/zinc/73/24/13/432732413.db2.gz ZOMWKOKSTIIDIB-LBPRGKRZSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231459154 432733136 /nfs/dbraw/zinc/73/31/36/432733136.db2.gz KYSOIAAYXSCISR-CYBMUJFWSA-N 2 1 302.340 3.159 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2)CC[N@H+]1C ZINC000178424514 432733308 /nfs/dbraw/zinc/73/33/08/432733308.db2.gz GCGAYMBYCBAING-WFASDCNBSA-N 2 1 311.267 3.064 20 0 DGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000235379474 432742819 /nfs/dbraw/zinc/74/28/19/432742819.db2.gz CEBCBAILGBIBCV-OCCSQVGLSA-N 2 1 311.267 3.269 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000276791086 432825883 /nfs/dbraw/zinc/82/58/83/432825883.db2.gz LBQIYNXBGJIXID-SFHVURJKSA-N 2 1 302.462 3.480 20 0 DGADMP C[N@H+]1CCC[C@H](CNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162575109 432827677 /nfs/dbraw/zinc/82/76/77/432827677.db2.gz KMLFGNKYNBOHKJ-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000162575109 432827683 /nfs/dbraw/zinc/82/76/83/432827683.db2.gz KMLFGNKYNBOHKJ-GFCCVEGCSA-N 2 1 304.331 3.276 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000162840577 432835302 /nfs/dbraw/zinc/83/53/02/432835302.db2.gz XZPYGXOTGQNZFW-XHSDSOJGSA-N 2 1 308.441 3.366 20 0 DGADMP CCN(CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000162841079 432835531 /nfs/dbraw/zinc/83/55/31/432835531.db2.gz UCXLKFZNFSIAIL-MJGOQNOKSA-N 2 1 303.494 3.223 20 0 DGADMP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000162830716 432835661 /nfs/dbraw/zinc/83/56/61/432835661.db2.gz GGTFLNWYVLGBEF-SFHVURJKSA-N 2 1 319.493 3.164 20 0 DGADMP CCN(CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000162841209 432835980 /nfs/dbraw/zinc/83/59/80/432835980.db2.gz UCXLKFZNFSIAIL-IEBWSBKVSA-N 2 1 303.494 3.223 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(C)cc2)[C@H](C)C1 ZINC000161525119 432783482 /nfs/dbraw/zinc/78/34/82/432783482.db2.gz RWDOUODMCWVOCP-MJGOQNOKSA-N 2 1 304.478 3.474 20 0 DGADMP Cc1cccc(C[N@H+](Cc2ccccn2)CC2CC[NH2+]CC2)c1 ZINC000178980376 432793530 /nfs/dbraw/zinc/79/35/30/432793530.db2.gz QKVHTYRGNRNHNE-UHFFFAOYSA-N 2 1 309.457 3.392 20 0 DGADMP CN(CC[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161863043 432801438 /nfs/dbraw/zinc/80/14/38/432801438.db2.gz SIDKYKITGPGWGP-LJQANCHMSA-N 3 1 315.505 3.067 20 0 DGADMP Cn1c2ccc(NC(=O)[C@@H](N)c3ccccc3)cc2nc1C1CC1 ZINC000237846430 432802232 /nfs/dbraw/zinc/80/22/32/432802232.db2.gz ZWDHTXHHUPHXIU-KRWDZBQOSA-N 2 1 320.396 3.089 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000161948136 432806060 /nfs/dbraw/zinc/80/60/60/432806060.db2.gz FXZGCQZLLAYKQN-GDBMZVCRSA-N 2 1 315.486 3.425 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000162171530 432814097 /nfs/dbraw/zinc/81/40/97/432814097.db2.gz PMTQLYAVRRVHEK-UHFFFAOYSA-N 2 1 313.445 3.054 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000162171530 432814100 /nfs/dbraw/zinc/81/41/00/432814100.db2.gz PMTQLYAVRRVHEK-UHFFFAOYSA-N 2 1 313.445 3.054 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000245926012 432870701 /nfs/dbraw/zinc/87/07/01/432870701.db2.gz UCGGVAWUOOESLH-NEWSRXKRSA-N 2 1 308.510 3.266 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278417097 432895806 /nfs/dbraw/zinc/89/58/06/432895806.db2.gz FUNHYSAORJAGIU-ZWKOTPCHSA-N 2 1 304.478 3.098 20 0 DGADMP C[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278417097 432895807 /nfs/dbraw/zinc/89/58/07/432895807.db2.gz FUNHYSAORJAGIU-ZWKOTPCHSA-N 2 1 304.478 3.098 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278073200 432883078 /nfs/dbraw/zinc/88/30/78/432883078.db2.gz ZKPBPRONNOEMFV-ZWKOTPCHSA-N 2 1 304.478 3.017 20 0 DGADMP Cc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278073200 432883079 /nfs/dbraw/zinc/88/30/79/432883079.db2.gz ZKPBPRONNOEMFV-ZWKOTPCHSA-N 2 1 304.478 3.017 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000277344990 432840991 /nfs/dbraw/zinc/84/09/91/432840991.db2.gz WHHYTJRJTHKJII-AWEZNQCLSA-N 2 1 323.868 3.085 20 0 DGADMP Cc1nccn1CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000163155032 432844375 /nfs/dbraw/zinc/84/43/75/432844375.db2.gz DNUFCSDZADYWPB-LJQANCHMSA-N 2 1 313.445 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000163155032 432844377 /nfs/dbraw/zinc/84/43/77/432844377.db2.gz DNUFCSDZADYWPB-LJQANCHMSA-N 2 1 313.445 3.120 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000163155032 432844380 /nfs/dbraw/zinc/84/43/80/432844380.db2.gz DNUFCSDZADYWPB-LJQANCHMSA-N 2 1 313.445 3.120 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000163266200 432847901 /nfs/dbraw/zinc/84/79/01/432847901.db2.gz GZYVFWJTQKGGMV-RDJZCZTQSA-N 2 1 312.461 3.173 20 0 DGADMP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245653590 432852520 /nfs/dbraw/zinc/85/25/20/432852520.db2.gz DCURWBGTMIDVLQ-AFYVEPGGSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245717402 432857975 /nfs/dbraw/zinc/85/79/75/432857975.db2.gz OFVMUBGBJYUTJY-YSTOQKLRSA-N 2 1 316.489 3.179 20 0 DGADMP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278971506 432923107 /nfs/dbraw/zinc/92/31/07/432923107.db2.gz NQCYNBGLWCRLCN-IEBWSBKVSA-N 2 1 309.457 3.365 20 0 DGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000279001845 432925078 /nfs/dbraw/zinc/92/50/78/432925078.db2.gz ROMWXNMSIKKDEE-NVXWUHKLSA-N 2 1 323.440 3.482 20 0 DGADMP COC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000279054138 432929940 /nfs/dbraw/zinc/92/99/40/432929940.db2.gz YHNUUYDERSISCP-CJNGLKHVSA-N 2 1 319.836 3.076 20 0 DGADMP Cc1cc(NC(=O)[C@H]2CCCN2C)ccc1Oc1ccncc1 ZINC000279123977 432937857 /nfs/dbraw/zinc/93/78/57/432937857.db2.gz XPCLJHXBSPDCGU-MRXNPFEDSA-N 2 1 311.385 3.215 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)F)c1 ZINC000278884982 432913272 /nfs/dbraw/zinc/91/32/72/432913272.db2.gz DBBIJECKUGROKT-QWHCGFSZSA-N 2 1 321.371 3.398 20 0 DGADMP C[C@@H](CC[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000278936627 432918796 /nfs/dbraw/zinc/91/87/96/432918796.db2.gz WZEHKKNTLUBCRN-SFHVURJKSA-N 2 1 316.489 3.415 20 0 DGADMP Cc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000349496678 432967843 /nfs/dbraw/zinc/96/78/43/432967843.db2.gz LHXNOIMJRAZXEP-HNAYVOBHSA-N 2 1 319.493 3.045 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290067698 432986379 /nfs/dbraw/zinc/98/63/79/432986379.db2.gz YBLNHVGOFPZZAL-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290067698 432986382 /nfs/dbraw/zinc/98/63/82/432986382.db2.gz YBLNHVGOFPZZAL-LBPRGKRZSA-N 2 1 316.367 3.233 20 0 DGADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)o1 ZINC000341192786 432987420 /nfs/dbraw/zinc/98/74/20/432987420.db2.gz ROCUWEDPSRNMQH-UHFFFAOYSA-N 2 1 319.474 3.485 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000349423723 432959272 /nfs/dbraw/zinc/95/92/72/432959272.db2.gz MJSBNYVSJFKQDO-PKOBYXMFSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccc(Cl)cc1 ZINC000297656913 433003668 /nfs/dbraw/zinc/00/36/68/433003668.db2.gz NPTWQADDOCSVNG-ZDUSSCGKSA-N 2 1 308.853 3.324 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000290169586 433006020 /nfs/dbraw/zinc/00/60/20/433006020.db2.gz MREBTMRTBDMTIC-IFXJQAMLSA-N 2 1 313.445 3.382 20 0 DGADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341254029 433006195 /nfs/dbraw/zinc/00/61/95/433006195.db2.gz DUCJMYXEXWYUOE-PKOBYXMFSA-N 2 1 302.462 3.056 20 0 DGADMP COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000290365014 433037668 /nfs/dbraw/zinc/03/76/68/433037668.db2.gz QYNJRWWEJPTWHX-IKGGRYGDSA-N 2 1 308.853 3.244 20 0 DGADMP CCC[N@@H+](CCc1cncn1C)[C@H](C)c1ccccc1OC ZINC000297980991 433039124 /nfs/dbraw/zinc/03/91/24/433039124.db2.gz XZIQTEUMXOAREZ-OAHLLOKOSA-N 2 1 301.434 3.444 20 0 DGADMP C[C@@]1(CNCc2ccccc2C[NH+]2CCCCCC2)CC[NH2+]C1 ZINC000415118974 289174344 /nfs/dbraw/zinc/17/43/44/289174344.db2.gz KFFUXZDJKPEBQF-HXUWFJFHSA-N 2 1 315.505 3.152 20 0 DGADMP Cc1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)n1-c1ccccc1 ZINC000290510364 433074157 /nfs/dbraw/zinc/07/41/57/433074157.db2.gz PMFMDBZMDPFFDP-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP Cc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)n1-c1ccccc1 ZINC000290510364 433074168 /nfs/dbraw/zinc/07/41/68/433074168.db2.gz PMFMDBZMDPFFDP-UHFFFAOYSA-N 2 1 323.444 3.208 20 0 DGADMP Brc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298266673 433074685 /nfs/dbraw/zinc/07/46/85/433074685.db2.gz GCJYDNNJJMUBAY-UHFFFAOYSA-N 2 1 323.278 3.208 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453315028 433084524 /nfs/dbraw/zinc/08/45/24/433084524.db2.gz ZETIQMFUBACQMD-XHBSWPGZSA-N 2 1 314.832 3.176 20 0 DGADMP COc1ccc2oc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)cc2c1 ZINC000290538007 433086643 /nfs/dbraw/zinc/08/66/43/433086643.db2.gz RBXCTCDKXBPZEY-DYVFJYSZSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)cc2c1 ZINC000290538007 433086649 /nfs/dbraw/zinc/08/66/49/433086649.db2.gz RBXCTCDKXBPZEY-DYVFJYSZSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2c1 ZINC000290538007 433086656 /nfs/dbraw/zinc/08/66/56/433086656.db2.gz RBXCTCDKXBPZEY-DYVFJYSZSA-N 2 1 302.418 3.213 20 0 DGADMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2c1 ZINC000290538007 433086666 /nfs/dbraw/zinc/08/66/66/433086666.db2.gz RBXCTCDKXBPZEY-DYVFJYSZSA-N 2 1 302.418 3.213 20 0 DGADMP Cc1cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C2CC2)n1 ZINC000341491107 433090160 /nfs/dbraw/zinc/09/01/60/433090160.db2.gz CWXYMMDBWMNWDT-YJBOKZPZSA-N 2 1 322.456 3.910 20 0 DGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000361350745 433127515 /nfs/dbraw/zinc/12/75/15/433127515.db2.gz IGYIMPKHHCTXCY-ROUUACIJSA-N 2 1 304.478 3.191 20 0 DGADMP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687841 433140017 /nfs/dbraw/zinc/14/00/17/433140017.db2.gz MJOFAGYFIOJTBP-NTZNESFSSA-N 2 1 324.266 3.120 20 0 DGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388650 433144775 /nfs/dbraw/zinc/14/47/75/433144775.db2.gz BVKPZIMKIRJJPP-IEBWSBKVSA-N 2 1 315.505 3.286 20 0 DGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453387254 433146774 /nfs/dbraw/zinc/14/67/74/433146774.db2.gz BBDDLYGMPOCEDR-CQSZACIVSA-N 2 1 303.450 3.170 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1O ZINC000290720138 433149293 /nfs/dbraw/zinc/14/92/93/433149293.db2.gz OMUGMYZBOSQREN-CQSZACIVSA-N 2 1 306.450 3.173 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000341582450 433151064 /nfs/dbraw/zinc/15/10/64/433151064.db2.gz CIDZXBRDHYBATC-IAGOWNOFSA-N 2 1 318.461 3.373 20 0 DGADMP c1ccc(CCOCCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298481031 433152021 /nfs/dbraw/zinc/15/20/21/433152021.db2.gz PKNQECSUJFYHTA-UHFFFAOYSA-N 2 1 316.489 3.242 20 0 DGADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420303883 433152771 /nfs/dbraw/zinc/15/27/71/433152771.db2.gz NVVDTLNLCKVQJF-PXNSSMCTSA-N 2 1 316.489 3.138 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000350156196 433102029 /nfs/dbraw/zinc/10/20/29/433102029.db2.gz QHCSOLPGCNKPQC-JKSUJKDBSA-N 2 1 308.441 3.319 20 0 DGADMP C[NH+]1CCC([NH+]2CCC(Cc3cccc(F)c3F)CC2)CC1 ZINC000453342278 433104603 /nfs/dbraw/zinc/10/46/03/433104603.db2.gz DCJCWUPIHFROSO-UHFFFAOYSA-N 2 1 308.416 3.314 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000420301067 433155305 /nfs/dbraw/zinc/15/53/05/433155305.db2.gz IJAOUQCYYIXOLH-GOSISDBHSA-N 2 1 310.441 3.402 20 0 DGADMP CC[N@@H+](CCc1ccccc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420300971 433155570 /nfs/dbraw/zinc/15/55/70/433155570.db2.gz IFQUFUDUGKTOTG-IBGZPJMESA-N 2 1 312.457 3.302 20 0 DGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000420324289 433163905 /nfs/dbraw/zinc/16/39/05/433163905.db2.gz VBXFHNVSEOINBS-HNNXBMFYSA-N 2 1 300.450 3.145 20 0 DGADMP FC(F)COc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298525904 433164094 /nfs/dbraw/zinc/16/40/94/433164094.db2.gz RSERAPLGMUADLW-UHFFFAOYSA-N 2 1 310.388 3.047 20 0 DGADMP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)o1 ZINC000420325851 433165345 /nfs/dbraw/zinc/16/53/45/433165345.db2.gz BWHPCOPKCTWMEB-OKILXGFUSA-N 2 1 317.458 3.143 20 0 DGADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330258 433165903 /nfs/dbraw/zinc/16/59/03/433165903.db2.gz APQXFDKTBIQTNC-QZTJIDSGSA-N 2 1 302.462 3.004 20 0 DGADMP c1csc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)c1 ZINC000453413487 433168722 /nfs/dbraw/zinc/16/87/22/433168722.db2.gz HULLJYFZVWHLOQ-ZJIFWQFVSA-N 2 1 306.475 3.185 20 0 DGADMP Clc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420336040 433172221 /nfs/dbraw/zinc/17/22/21/433172221.db2.gz IJPKZUQMRRQZSX-LSDHHAIUSA-N 2 1 308.853 3.040 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420355397 433174995 /nfs/dbraw/zinc/17/49/95/433174995.db2.gz DWQDSPDXIJZYEV-AWEZNQCLSA-N 2 1 316.367 3.105 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000361457731 433180690 /nfs/dbraw/zinc/18/06/90/433180690.db2.gz VBOUPCHXCVJXKI-RUGGUXRKSA-N 2 1 314.473 3.197 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000361457731 433180701 /nfs/dbraw/zinc/18/07/01/433180701.db2.gz VBOUPCHXCVJXKI-RUGGUXRKSA-N 2 1 314.473 3.197 20 0 DGADMP Clc1ccccc1O[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420363132 433181178 /nfs/dbraw/zinc/18/11/78/433181178.db2.gz BFFKECGSNSTALL-CABCVRRESA-N 2 1 308.853 3.183 20 0 DGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420367545 433181377 /nfs/dbraw/zinc/18/13/77/433181377.db2.gz GYJINASUDSZTGN-HIFRSBDPSA-N 2 1 312.379 3.494 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361458922 433182595 /nfs/dbraw/zinc/18/25/95/433182595.db2.gz JFRHVTPVOBBTBR-UKRRQHHQSA-N 2 1 316.367 3.166 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361458922 433182601 /nfs/dbraw/zinc/18/26/01/433182601.db2.gz JFRHVTPVOBBTBR-UKRRQHHQSA-N 2 1 316.367 3.166 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1 ZINC000350481712 433182801 /nfs/dbraw/zinc/18/28/01/433182801.db2.gz RHPJNDZPSMDPSR-CABCVRRESA-N 2 1 323.444 3.196 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420374999 433186113 /nfs/dbraw/zinc/18/61/13/433186113.db2.gz OMTLMWRNWBQTEA-RDTXWAMCSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000420374999 433186120 /nfs/dbraw/zinc/18/61/20/433186120.db2.gz OMTLMWRNWBQTEA-RDTXWAMCSA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420374997 433186348 /nfs/dbraw/zinc/18/63/48/433186348.db2.gz OMTLMWRNWBQTEA-KSSFIOAISA-N 2 1 322.880 3.492 20 0 DGADMP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000420374997 433186358 /nfs/dbraw/zinc/18/63/58/433186358.db2.gz OMTLMWRNWBQTEA-KSSFIOAISA-N 2 1 322.880 3.492 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420373154 433187530 /nfs/dbraw/zinc/18/75/30/433187530.db2.gz MCGIGHCWOJUETH-MJGOQNOKSA-N 2 1 302.462 3.012 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381790 433192047 /nfs/dbraw/zinc/19/20/47/433192047.db2.gz CRFZZTNDFXHJBR-AEFFLSMTSA-N 2 1 302.462 3.438 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420406885 433195461 /nfs/dbraw/zinc/19/54/61/433195461.db2.gz USVSGYQJSXODAJ-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP C[C@H](CCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280895649 433212843 /nfs/dbraw/zinc/21/28/43/433212843.db2.gz DKDDQQMDAUVPTA-IPJUCJBFSA-N 2 1 304.478 3.038 20 0 DGADMP C[N@@H+](CCCC[NH2+]Cc1csc(Br)c1)C1CC1 ZINC000453594435 433223994 /nfs/dbraw/zinc/22/39/94/433223994.db2.gz IOYRNJYHGWXMGP-UHFFFAOYSA-N 2 1 317.296 3.475 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453597894 433224264 /nfs/dbraw/zinc/22/42/64/433224264.db2.gz OPYYXHHLJKUCPX-UHFFFAOYSA-N 2 1 312.461 3.145 20 0 DGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000337538056 433241440 /nfs/dbraw/zinc/24/14/40/433241440.db2.gz ZHYMWAYTWYYCKK-QGZVFWFLSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000361572110 433256574 /nfs/dbraw/zinc/25/65/74/433256574.db2.gz QCADEINVVGAZAK-CQSZACIVSA-N 2 1 316.898 3.334 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361572110 433256582 /nfs/dbraw/zinc/25/65/82/433256582.db2.gz QCADEINVVGAZAK-CQSZACIVSA-N 2 1 316.898 3.334 20 0 DGADMP CCN(CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)CC(F)(F)F ZINC000354859435 433324510 /nfs/dbraw/zinc/32/45/10/433324510.db2.gz UCABZGHVUJJRQB-CABCVRRESA-N 2 1 323.447 3.065 20 0 DGADMP CCN(CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1)CC(F)(F)F ZINC000354859435 433324517 /nfs/dbraw/zinc/32/45/17/433324517.db2.gz UCABZGHVUJJRQB-CABCVRRESA-N 2 1 323.447 3.065 20 0 DGADMP CCN(CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)CC(F)(F)F ZINC000354859435 433324529 /nfs/dbraw/zinc/32/45/29/433324529.db2.gz UCABZGHVUJJRQB-CABCVRRESA-N 2 1 323.447 3.065 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374730480 433269939 /nfs/dbraw/zinc/26/99/39/433269939.db2.gz ARITVYSGCQXWLC-GOSISDBHSA-N 2 1 323.444 3.268 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374730480 433269945 /nfs/dbraw/zinc/26/99/45/433269945.db2.gz ARITVYSGCQXWLC-GOSISDBHSA-N 2 1 323.444 3.268 20 0 DGADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000354811332 433286792 /nfs/dbraw/zinc/28/67/92/433286792.db2.gz WHKRQDAOYJJRBJ-IHPCNDPISA-N 2 1 316.489 3.134 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)OCc1ccccc1 ZINC000354809938 433287002 /nfs/dbraw/zinc/28/70/02/433287002.db2.gz SXTXKXCMZQVMJY-RLLQIKCJSA-N 2 1 316.489 3.398 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000341896355 433346456 /nfs/dbraw/zinc/34/64/56/433346456.db2.gz KIENWWNVZHEZHK-LPHOPBHVSA-N 2 1 304.478 3.432 20 0 DGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000341896355 433346465 /nfs/dbraw/zinc/34/64/65/433346465.db2.gz KIENWWNVZHEZHK-LPHOPBHVSA-N 2 1 304.478 3.432 20 0 DGADMP c1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420970251 433360051 /nfs/dbraw/zinc/36/00/51/433360051.db2.gz ZSWKKXFXTYNVDG-HXUWFJFHSA-N 2 1 314.473 3.141 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420970251 433360055 /nfs/dbraw/zinc/36/00/55/433360055.db2.gz ZSWKKXFXTYNVDG-HXUWFJFHSA-N 2 1 314.473 3.141 20 0 DGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3C=CCCCCC3)CC2)CC1 ZINC000420985513 433368631 /nfs/dbraw/zinc/36/86/31/433368631.db2.gz WCIDXCPBZNMDKE-LJQANCHMSA-N 2 1 319.537 3.367 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)C[NH+](C)C ZINC000425914291 433375379 /nfs/dbraw/zinc/37/53/79/433375379.db2.gz BOFCFTIZSTWRGZ-RDTXWAMCSA-N 2 1 302.462 3.176 20 0 DGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281626305 433330326 /nfs/dbraw/zinc/33/03/26/433330326.db2.gz CRRIOGXPKLMILW-MAUKXSAKSA-N 2 1 308.441 3.225 20 0 DGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000291759779 433339265 /nfs/dbraw/zinc/33/92/65/433339265.db2.gz RIFSNENZKLKPGV-NXEZZACHSA-N 2 1 305.285 3.359 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CCC2 ZINC000339069213 433339961 /nfs/dbraw/zinc/33/99/61/433339961.db2.gz SAYMWNOXKLCYLT-ICSRJNTNSA-N 2 1 316.489 3.055 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@@H]1C ZINC000414077006 433378778 /nfs/dbraw/zinc/37/87/78/433378778.db2.gz YQIQJQDUUBKLCA-IPELMVKDSA-N 2 1 302.462 3.043 20 0 DGADMP COC1(CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CCC1 ZINC000339132054 433385036 /nfs/dbraw/zinc/38/50/36/433385036.db2.gz MOUYUEHXILLFLS-UHFFFAOYSA-N 2 1 304.434 3.192 20 0 DGADMP CC(C)C(C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000375266917 433400936 /nfs/dbraw/zinc/40/09/36/433400936.db2.gz OCKACWSVPGXHBG-GOSISDBHSA-N 2 1 309.542 3.015 20 0 DGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CC1(C)C ZINC000414113165 433403757 /nfs/dbraw/zinc/40/37/57/433403757.db2.gz RRBVGLFPGLUNSH-FHWLQOOXSA-N 2 1 316.489 3.168 20 0 DGADMP CCN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355016863 433415387 /nfs/dbraw/zinc/41/53/87/433415387.db2.gz UFHZXZOCZNLMDR-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355016863 433415395 /nfs/dbraw/zinc/41/53/95/433415395.db2.gz UFHZXZOCZNLMDR-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP CCN(CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355016863 433415403 /nfs/dbraw/zinc/41/54/03/433415403.db2.gz UFHZXZOCZNLMDR-WOJBJXKFSA-N 2 1 315.505 3.067 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000414169167 433435377 /nfs/dbraw/zinc/43/53/77/433435377.db2.gz AZNAYYAUYBZQMF-NVXWUHKLSA-N 2 1 304.482 3.353 20 0 DGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000414189184 433451263 /nfs/dbraw/zinc/45/12/63/433451263.db2.gz QQJWVSSFEUWXFK-JKSUJKDBSA-N 2 1 320.477 3.395 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000414193471 433453428 /nfs/dbraw/zinc/45/34/28/433453428.db2.gz UAGZAJQUYYBFQS-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414193923 433455511 /nfs/dbraw/zinc/45/55/11/433455511.db2.gz UAKBMXOYQYZRTH-YOEHRIQHSA-N 2 1 310.869 3.349 20 0 DGADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1C(C)(C)C ZINC000414200640 433458141 /nfs/dbraw/zinc/45/81/41/433458141.db2.gz XNEVMVACWJPJBS-GDBMZVCRSA-N 2 1 306.498 3.329 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414198299 433459399 /nfs/dbraw/zinc/45/93/99/433459399.db2.gz WYQIRAVYADFHMW-IRXDYDNUSA-N 2 1 320.477 3.094 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414209483 433461432 /nfs/dbraw/zinc/46/14/32/433461432.db2.gz MQKOYNLFIMSEMU-OMZCGLGVSA-N 2 1 314.473 3.054 20 0 DGADMP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233743 290054281 /nfs/dbraw/zinc/05/42/81/290054281.db2.gz MVEMBDOWEVIURP-ULQDDVLXSA-N 2 1 306.494 3.331 20 0 DGADMP COCC[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414211362 433463249 /nfs/dbraw/zinc/46/32/49/433463249.db2.gz VJTIZCCVTPWLFK-YQVWRLOYSA-N 2 1 304.478 3.159 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]21 ZINC000342095283 433464234 /nfs/dbraw/zinc/46/42/34/433464234.db2.gz FTLYWDJIIXDOGD-DJIMGWMZSA-N 2 1 313.470 3.369 20 0 DGADMP OC1CC[NH+](CCC[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000342096793 433464586 /nfs/dbraw/zinc/46/45/86/433464586.db2.gz JOEHROKSPNUXAV-UHFFFAOYSA-N 2 1 308.510 3.316 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415116808 290393775 /nfs/dbraw/zinc/39/37/75/290393775.db2.gz IFLIBXQDGPSZPR-PXNSSMCTSA-N 3 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415116808 290393780 /nfs/dbraw/zinc/39/37/80/290393780.db2.gz IFLIBXQDGPSZPR-PXNSSMCTSA-N 2 1 315.505 3.150 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415116808 290393783 /nfs/dbraw/zinc/39/37/83/290393783.db2.gz IFLIBXQDGPSZPR-PXNSSMCTSA-N 2 1 315.505 3.150 20 0 DGADMP CC(C)=CCC[C@H](C)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375645421 433518706 /nfs/dbraw/zinc/51/87/06/433518706.db2.gz SAZDBCPPGDCOAL-VQTJNVASSA-N 2 1 321.553 3.471 20 0 DGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3cccc4ccccc43)C[C@@H]12 ZINC000351479588 433520455 /nfs/dbraw/zinc/52/04/55/433520455.db2.gz SBZXYFMHRCJLHC-QXAKKESOSA-N 2 1 310.441 3.278 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351478993 433521583 /nfs/dbraw/zinc/52/15/83/433521583.db2.gz QLKYCNOWNKKJDO-PKOBYXMFSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351478993 433521592 /nfs/dbraw/zinc/52/15/92/433521592.db2.gz QLKYCNOWNKKJDO-PKOBYXMFSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351478993 433521606 /nfs/dbraw/zinc/52/16/06/433521606.db2.gz QLKYCNOWNKKJDO-PKOBYXMFSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1ccccc1[C@@H](C(C)C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351478993 433521616 /nfs/dbraw/zinc/52/16/16/433521616.db2.gz QLKYCNOWNKKJDO-PKOBYXMFSA-N 2 1 304.478 3.079 20 0 DGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000339349517 433526821 /nfs/dbraw/zinc/52/68/21/433526821.db2.gz QIBWZMHFYOMMCD-MRXNPFEDSA-N 2 1 324.877 3.019 20 0 DGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000339349517 433526825 /nfs/dbraw/zinc/52/68/25/433526825.db2.gz QIBWZMHFYOMMCD-MRXNPFEDSA-N 2 1 324.877 3.019 20 0 DGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000351355663 433488014 /nfs/dbraw/zinc/48/80/14/433488014.db2.gz ZWKJOESCWZGGDE-LJQANCHMSA-N 2 1 304.478 3.400 20 0 DGADMP CC[NH+](CC)CCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000351355663 433488024 /nfs/dbraw/zinc/48/80/24/433488024.db2.gz ZWKJOESCWZGGDE-LJQANCHMSA-N 2 1 304.478 3.400 20 0 DGADMP CC[N@@H+](CCNc1nc(-c2ccncc2)nc(C)c1C)C1CC1 ZINC000301289597 433490466 /nfs/dbraw/zinc/49/04/66/433490466.db2.gz SQDOAYIRLKDDLR-UHFFFAOYSA-N 2 1 311.433 3.052 20 0 DGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3cccc4ccccc43)C2)C1 ZINC000292167949 433491193 /nfs/dbraw/zinc/49/11/93/433491193.db2.gz PKHWAHWZRSZANM-HXUWFJFHSA-N 2 1 310.441 3.246 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3cccc4ccccc43)C2)C1 ZINC000292167949 433491205 /nfs/dbraw/zinc/49/12/05/433491205.db2.gz PKHWAHWZRSZANM-HXUWFJFHSA-N 2 1 310.441 3.246 20 0 DGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3cccc4ccccc43)C2)C1 ZINC000292167949 433491219 /nfs/dbraw/zinc/49/12/19/433491219.db2.gz PKHWAHWZRSZANM-HXUWFJFHSA-N 2 1 310.441 3.246 20 0 DGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000292309714 433548679 /nfs/dbraw/zinc/54/86/79/433548679.db2.gz ANFOSQFPFNHJNX-IEBWSBKVSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000292309714 433548687 /nfs/dbraw/zinc/54/86/87/433548687.db2.gz ANFOSQFPFNHJNX-IEBWSBKVSA-N 2 1 304.478 3.426 20 0 DGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000292309714 433548694 /nfs/dbraw/zinc/54/86/94/433548694.db2.gz ANFOSQFPFNHJNX-IEBWSBKVSA-N 2 1 304.478 3.426 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414333773 433549913 /nfs/dbraw/zinc/54/99/13/433549913.db2.gz BABJWHJLTAGGAB-CKEIUWERSA-N 2 1 317.452 3.321 20 0 DGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414333773 433549924 /nfs/dbraw/zinc/54/99/24/433549924.db2.gz BABJWHJLTAGGAB-CKEIUWERSA-N 2 1 317.452 3.321 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000339416241 433567723 /nfs/dbraw/zinc/56/77/23/433567723.db2.gz ZHQNDYDJWHHAQI-HSALFYBXSA-N 2 1 316.489 3.085 20 0 DGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456289633 433573130 /nfs/dbraw/zinc/57/31/30/433573130.db2.gz XMRDMXLUCRWPBA-ZWKOTPCHSA-N 2 1 315.461 3.048 20 0 DGADMP COc1ccc(Cl)cc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427488 433574647 /nfs/dbraw/zinc/57/46/47/433574647.db2.gz VUKAJSZCACLWKH-KRWDZBQOSA-N 2 1 308.853 3.266 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339425172 433576404 /nfs/dbraw/zinc/57/64/04/433576404.db2.gz BPBJPGLJMYAADQ-HNNXBMFYSA-N 2 1 318.440 3.394 20 0 DGADMP CO[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000339526439 433640605 /nfs/dbraw/zinc/64/06/05/433640605.db2.gz IVZIEBDTZUBNTD-GOSISDBHSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1cc[nH+]c(NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000301619495 433643592 /nfs/dbraw/zinc/64/35/92/433643592.db2.gz BZAVAYZVYNFXAO-UHFFFAOYSA-N 2 1 324.472 3.404 20 0 DGADMP CC1CC[NH+](C[C@H]2CCCN(CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609730 433613314 /nfs/dbraw/zinc/61/33/14/433613314.db2.gz TUGABBIUBKZKJI-PMACEKPBSA-N 3 1 321.553 3.305 20 0 DGADMP CCCCCC(=O)NC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351620699 433618974 /nfs/dbraw/zinc/61/89/74/433618974.db2.gz QRYHINIPMLQGEG-SFHVURJKSA-N 2 1 323.525 3.022 20 0 DGADMP C[N@@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000449012800 433658085 /nfs/dbraw/zinc/65/80/85/433658085.db2.gz HDIDIOIOCJKRRA-QGZVFWFLSA-N 2 1 318.461 3.012 20 0 DGADMP C[N@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000449012800 433658094 /nfs/dbraw/zinc/65/80/94/433658094.db2.gz HDIDIOIOCJKRRA-QGZVFWFLSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000449012800 433658098 /nfs/dbraw/zinc/65/80/98/433658098.db2.gz HDIDIOIOCJKRRA-QGZVFWFLSA-N 2 1 318.461 3.012 20 0 DGADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000449012800 433658104 /nfs/dbraw/zinc/65/81/04/433658104.db2.gz HDIDIOIOCJKRRA-QGZVFWFLSA-N 2 1 318.461 3.012 20 0 DGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000376099299 433663833 /nfs/dbraw/zinc/66/38/33/433663833.db2.gz UXZWGKKWJILNSV-UHFFFAOYSA-N 2 1 306.425 3.285 20 0 DGADMP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000449038378 433699466 /nfs/dbraw/zinc/69/94/66/433699466.db2.gz UECRSMHVFYCXRI-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000449038378 433699471 /nfs/dbraw/zinc/69/94/71/433699471.db2.gz UECRSMHVFYCXRI-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000449038378 433699479 /nfs/dbraw/zinc/69/94/79/433699479.db2.gz UECRSMHVFYCXRI-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP COc1cc(C)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000449038378 433699484 /nfs/dbraw/zinc/69/94/84/433699484.db2.gz UECRSMHVFYCXRI-KRWDZBQOSA-N 2 1 302.462 3.167 20 0 DGADMP CCC(CC)[C@@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)[NH+](C)C ZINC000370665365 293183167 /nfs/dbraw/zinc/18/31/67/293183167.db2.gz OPWYTIHMUNOWHA-OFLPRAFFSA-N 2 1 322.497 3.360 20 0 DGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000372298938 293231477 /nfs/dbraw/zinc/23/14/77/293231477.db2.gz UHACPYDTWWQMPH-HNNXBMFYSA-N 2 1 308.385 3.065 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000373318916 293260207 /nfs/dbraw/zinc/26/02/07/293260207.db2.gz OOVSIXCIDMHSCZ-YFFANZOGSA-N 2 1 302.462 3.053 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000373318914 293260397 /nfs/dbraw/zinc/26/03/97/293260397.db2.gz OOVSIXCIDMHSCZ-VRVMVEOCSA-N 2 1 302.462 3.053 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCc1ccccc1 ZINC000373450640 293276709 /nfs/dbraw/zinc/27/67/09/293276709.db2.gz BIFYICMWZFYPSI-AABGKKOBSA-N 2 1 316.489 3.193 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCS2 ZINC000373636991 293300137 /nfs/dbraw/zinc/30/01/37/293300137.db2.gz GSHXVYUUZKKETM-JKIFEVAISA-N 2 1 318.486 3.449 20 0 DGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCS2 ZINC000373636991 293300140 /nfs/dbraw/zinc/30/01/40/293300140.db2.gz GSHXVYUUZKKETM-JKIFEVAISA-N 2 1 318.486 3.449 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCC34CCC4)CC2)nc(C)[nH+]1 ZINC000449226947 433730280 /nfs/dbraw/zinc/73/02/80/433730280.db2.gz SQVXSEGSYRNESR-KRWDZBQOSA-N 2 1 314.477 3.375 20 0 DGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328517 433737350 /nfs/dbraw/zinc/73/73/50/433737350.db2.gz FTUHLGFTXZLNIL-NVXWUHKLSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328517 433737359 /nfs/dbraw/zinc/73/73/59/433737359.db2.gz FTUHLGFTXZLNIL-NVXWUHKLSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328517 433737364 /nfs/dbraw/zinc/73/73/64/433737364.db2.gz FTUHLGFTXZLNIL-NVXWUHKLSA-N 2 1 318.461 3.010 20 0 DGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449328517 433737372 /nfs/dbraw/zinc/73/73/72/433737372.db2.gz FTUHLGFTXZLNIL-NVXWUHKLSA-N 2 1 318.461 3.010 20 0 DGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCCCO2 ZINC000449324861 433740017 /nfs/dbraw/zinc/74/00/17/433740017.db2.gz HXOSVNWFPLSLBK-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCCCO2 ZINC000449324861 433740023 /nfs/dbraw/zinc/74/00/23/433740023.db2.gz HXOSVNWFPLSLBK-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000421820236 433745727 /nfs/dbraw/zinc/74/57/27/433745727.db2.gz LMQUNMQOKJAINH-SOLBZPMBSA-N 2 1 301.478 3.039 20 0 DGADMP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000421820236 433745736 /nfs/dbraw/zinc/74/57/36/433745736.db2.gz LMQUNMQOKJAINH-SOLBZPMBSA-N 2 1 301.478 3.039 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c(F)c1 ZINC000421821757 433745893 /nfs/dbraw/zinc/74/58/93/433745893.db2.gz TXMZLJKUOJZPLB-BFUOFWGJSA-N 2 1 318.436 3.359 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000351848128 433754059 /nfs/dbraw/zinc/75/40/59/433754059.db2.gz CDFBSJQTCYYOML-DGCLKSJQSA-N 2 1 305.809 3.164 20 0 DGADMP COc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)c(F)c1 ZINC000421835529 433756117 /nfs/dbraw/zinc/75/61/17/433756117.db2.gz MTDPOVTUPHPIDQ-GOSISDBHSA-N 2 1 304.409 3.137 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414655152 433769061 /nfs/dbraw/zinc/76/90/61/433769061.db2.gz CXUKWDJZNRXFMG-SFHVURJKSA-N 2 1 318.440 3.125 20 0 DGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414655152 433769066 /nfs/dbraw/zinc/76/90/66/433769066.db2.gz CXUKWDJZNRXFMG-SFHVURJKSA-N 2 1 318.440 3.125 20 0 DGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000414649946 433769354 /nfs/dbraw/zinc/76/93/54/433769354.db2.gz CQKBFABLUZRYAN-INIZCTEOSA-N 2 1 310.441 3.451 20 0 DGADMP CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841687 433725187 /nfs/dbraw/zinc/72/51/87/433725187.db2.gz GOGMJLGTYSCMKI-MRXNPFEDSA-N 2 1 304.434 3.112 20 0 DGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841687 433725206 /nfs/dbraw/zinc/72/52/06/433725206.db2.gz GOGMJLGTYSCMKI-MRXNPFEDSA-N 2 1 304.434 3.112 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841687 433725213 /nfs/dbraw/zinc/72/52/13/433725213.db2.gz GOGMJLGTYSCMKI-MRXNPFEDSA-N 2 1 304.434 3.112 20 0 DGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000356841687 433725223 /nfs/dbraw/zinc/72/52/23/433725223.db2.gz GOGMJLGTYSCMKI-MRXNPFEDSA-N 2 1 304.434 3.112 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772874 433823076 /nfs/dbraw/zinc/82/30/76/433823076.db2.gz CRCWZOLSZNLRNB-IRXDYDNUSA-N 2 1 302.462 3.079 20 0 DGADMP c1coc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414772886 433823308 /nfs/dbraw/zinc/82/33/08/433823308.db2.gz CROVRGOHJGXLDA-KBPBESRZSA-N 2 1 317.458 3.225 20 0 DGADMP CC(C)[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775241 433823458 /nfs/dbraw/zinc/82/34/58/433823458.db2.gz GIHMMNDHQRQMOO-MOPGFXCFSA-N 2 1 316.489 3.114 20 0 DGADMP Cc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000351882476 433772986 /nfs/dbraw/zinc/77/29/86/433772986.db2.gz QIPCKANNSZQBCP-MRXNPFEDSA-N 2 1 316.493 3.262 20 0 DGADMP Cc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000351882475 433773666 /nfs/dbraw/zinc/77/36/66/433773666.db2.gz QIPCKANNSZQBCP-INIZCTEOSA-N 2 1 316.493 3.262 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659754 433775829 /nfs/dbraw/zinc/77/58/29/433775829.db2.gz LSZSVEXKLOCHCX-IUODEOHRSA-N 2 1 300.368 3.493 20 0 DGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414659754 433775839 /nfs/dbraw/zinc/77/58/39/433775839.db2.gz LSZSVEXKLOCHCX-IUODEOHRSA-N 2 1 300.368 3.493 20 0 DGADMP Cc1cc(F)c(C[NH+]2CCC(OCCC[NH3+])CC2)c(Cl)c1 ZINC000414659352 433776384 /nfs/dbraw/zinc/77/63/84/433776384.db2.gz LDEAJMYRVNNPTL-UHFFFAOYSA-N 2 1 314.832 3.117 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CNCc2c(F)ccc(O)c2F)c1 ZINC000293564233 433782010 /nfs/dbraw/zinc/78/20/10/433782010.db2.gz IHQNPECCIXQOBK-UHFFFAOYSA-N 2 1 320.383 3.412 20 0 DGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414678945 433786231 /nfs/dbraw/zinc/78/62/31/433786231.db2.gz YQDHJXNSMCXDNN-JMGFVUJMSA-N 2 1 312.379 3.478 20 0 DGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414682078 433788725 /nfs/dbraw/zinc/78/87/25/433788725.db2.gz XQERYVPZLPMQNX-GXTWGEPZSA-N 2 1 316.367 3.405 20 0 DGADMP CC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000421878558 433789295 /nfs/dbraw/zinc/78/92/95/433789295.db2.gz NMYZLMCRRMXBDO-IYWMVGAKSA-N 2 1 316.489 3.038 20 0 DGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414685574 433792542 /nfs/dbraw/zinc/79/25/42/433792542.db2.gz ZVBXYJQKTIBYMD-VKJFTORMSA-N 2 1 318.461 3.229 20 0 DGADMP COCCCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697484 433796712 /nfs/dbraw/zinc/79/67/12/433796712.db2.gz WORQKKLUSHAUPP-IEBWSBKVSA-N 2 1 304.478 3.303 20 0 DGADMP CC[N@H+](CC[NH2+]C(C)(C)C)CC1CCN(c2ccccn2)CC1 ZINC000414712367 433804000 /nfs/dbraw/zinc/80/40/00/433804000.db2.gz UBHJEZGONFLMOE-UHFFFAOYSA-N 2 1 318.509 3.008 20 0 DGADMP CC[N@@H+](CC[NH2+]C(C)(C)C)CC1CCN(c2ccccn2)CC1 ZINC000414712367 433804008 /nfs/dbraw/zinc/80/40/08/433804008.db2.gz UBHJEZGONFLMOE-UHFFFAOYSA-N 2 1 318.509 3.008 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+]1C ZINC000431335396 433808205 /nfs/dbraw/zinc/80/82/05/433808205.db2.gz YTXYMPQNBTXNDB-LJHODMEESA-N 2 1 314.473 3.461 20 0 DGADMP CC[NH+](CC)CCN(CCOC)c1cc[nH+]c2ccsc21 ZINC000362649501 433808199 /nfs/dbraw/zinc/80/81/99/433808199.db2.gz PZBHJHSVKDJFCM-UHFFFAOYSA-N 2 1 307.463 3.091 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+]1C ZINC000431335396 433808213 /nfs/dbraw/zinc/80/82/13/433808213.db2.gz YTXYMPQNBTXNDB-LJHODMEESA-N 2 1 314.473 3.461 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302034127 433810517 /nfs/dbraw/zinc/81/05/17/433810517.db2.gz JHVIPJDIOFHCNC-WBVHZDCISA-N 2 1 302.466 3.184 20 0 DGADMP Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302034127 433810527 /nfs/dbraw/zinc/81/05/27/433810527.db2.gz JHVIPJDIOFHCNC-WBVHZDCISA-N 2 1 302.466 3.184 20 0 DGADMP CCc1ccc([C@@H]2C[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)CCO2)cc1 ZINC000414760993 433819831 /nfs/dbraw/zinc/81/98/31/433819831.db2.gz ZQMFXVJKXPGYDJ-WDYCEAGBSA-N 2 1 302.462 3.010 20 0 DGADMP c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)c1 ZINC000414762767 433821097 /nfs/dbraw/zinc/82/10/97/433821097.db2.gz BAKLLSYJWPBQNW-BGYRXZFFSA-N 2 1 307.441 3.180 20 0 DGADMP CCOc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435388712 433873299 /nfs/dbraw/zinc/87/32/99/433873299.db2.gz GVOANVYIDKLAGB-INIZCTEOSA-N 2 1 306.450 3.058 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414839001 433873889 /nfs/dbraw/zinc/87/38/89/433873889.db2.gz LGAFKLRVKNDCEU-HOTGVXAUSA-N 2 1 319.493 3.490 20 0 DGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409710 433827584 /nfs/dbraw/zinc/82/75/84/433827584.db2.gz IIFCTDGLMFHJKN-RDJZCZTQSA-N 2 1 320.477 3.384 20 0 DGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CCCO1 ZINC000432409710 433827589 /nfs/dbraw/zinc/82/75/89/433827589.db2.gz IIFCTDGLMFHJKN-RDJZCZTQSA-N 2 1 320.477 3.384 20 0 DGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780652 433828945 /nfs/dbraw/zinc/82/89/45/433828945.db2.gz LUPBWIOYSUGQEB-IAGOWNOFSA-N 2 1 302.462 3.295 20 0 DGADMP COc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000284087854 433831011 /nfs/dbraw/zinc/83/10/11/433831011.db2.gz BIUOBTTTZUXDCU-UBHSHLNASA-N 2 1 311.857 3.267 20 0 DGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414786251 433832396 /nfs/dbraw/zinc/83/23/96/433832396.db2.gz UJAFVCBRKIZOJU-KBPBESRZSA-N 2 1 307.507 3.262 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414784895 433832735 /nfs/dbraw/zinc/83/27/35/433832735.db2.gz RSEDSVZYIBBXIR-ROUUACIJSA-N 2 1 302.462 3.295 20 0 DGADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414789242 433832801 /nfs/dbraw/zinc/83/28/01/433832801.db2.gz YEWBZIWKVWEXJC-CVEARBPZSA-N 2 1 313.420 3.195 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784165 433834988 /nfs/dbraw/zinc/83/49/88/433834988.db2.gz QVZDYOGAKHQECP-ZWKOTPCHSA-N 2 1 324.472 3.002 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784161 433836102 /nfs/dbraw/zinc/83/61/02/433836102.db2.gz QVZDYOGAKHQECP-ROUUACIJSA-N 2 1 324.472 3.002 20 0 DGADMP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789658 433836287 /nfs/dbraw/zinc/83/62/87/433836287.db2.gz YJXUHJCBAIVOFQ-UONOGXRCSA-N 2 1 310.388 3.110 20 0 DGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789944 433838987 /nfs/dbraw/zinc/83/89/87/433838987.db2.gz ZCROCNSPAMAZBC-KBPBESRZSA-N 2 1 308.853 3.170 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC12CCOCC2 ZINC000414790582 433839465 /nfs/dbraw/zinc/83/94/65/433839465.db2.gz PNLJOVZXFHTEFL-LJQANCHMSA-N 2 1 310.441 3.027 20 0 DGADMP CC(C)([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414797389 433842786 /nfs/dbraw/zinc/84/27/86/433842786.db2.gz CVPCIYOJBKUTSN-UHFFFAOYSA-N 2 1 320.440 3.366 20 0 DGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796903 433843085 /nfs/dbraw/zinc/84/30/85/433843085.db2.gz XYRATWNIMDUFKA-SFHVURJKSA-N 2 1 316.489 3.171 20 0 DGADMP COC[C@@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284173512 433851823 /nfs/dbraw/zinc/85/18/23/433851823.db2.gz QNDRMDMOCVNFAV-IVMQYODDSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357068279 433853648 /nfs/dbraw/zinc/85/36/48/433853648.db2.gz DRYKUXLLAGEGNP-CQSZACIVSA-N 2 1 319.474 3.087 20 0 DGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414813614 433853792 /nfs/dbraw/zinc/85/37/92/433853792.db2.gz UFRMAHUNPABBAF-UHFFFAOYSA-N 2 1 312.461 3.457 20 0 DGADMP Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338293 433857876 /nfs/dbraw/zinc/85/78/76/433857876.db2.gz WASKOFDEVCEREH-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338293 433857886 /nfs/dbraw/zinc/85/78/86/433857886.db2.gz WASKOFDEVCEREH-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338293 433857892 /nfs/dbraw/zinc/85/78/92/433857892.db2.gz WASKOFDEVCEREH-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP Cc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338293 433857899 /nfs/dbraw/zinc/85/78/99/433857899.db2.gz WASKOFDEVCEREH-SFTDATJTSA-N 2 1 321.468 3.344 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC000377331471 433858661 /nfs/dbraw/zinc/85/86/61/433858661.db2.gz TUMCHUKIDXXNHX-RBUKOAKNSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC000377331471 433858685 /nfs/dbraw/zinc/85/86/85/433858685.db2.gz TUMCHUKIDXXNHX-RBUKOAKNSA-N 2 1 307.441 3.036 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC000377331471 433858698 /nfs/dbraw/zinc/85/86/98/433858698.db2.gz TUMCHUKIDXXNHX-RBUKOAKNSA-N 2 1 307.441 3.036 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCc2ccncc2)CC1)CC1CC1 ZINC000357092618 433860359 /nfs/dbraw/zinc/86/03/59/433860359.db2.gz ZHSIOSDUMPVFFD-UHFFFAOYSA-N 2 1 315.505 3.458 20 0 DGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCOCC3)C2)cc1 ZINC000377350036 433861937 /nfs/dbraw/zinc/86/19/37/433861937.db2.gz HZZSJCYQILHQID-SFHVURJKSA-N 2 1 302.462 3.057 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)o1 ZINC000414826094 433862433 /nfs/dbraw/zinc/86/24/33/433862433.db2.gz IJPYLVKXBQGZKS-FUNVUKJBSA-N 2 1 303.431 3.084 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)cn1 ZINC000293775088 433863764 /nfs/dbraw/zinc/86/37/64/433863764.db2.gz APSHAPIWFMDRDU-CQSZACIVSA-N 2 1 322.412 3.002 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414831526 433869827 /nfs/dbraw/zinc/86/98/27/433869827.db2.gz CJCSVSYNDPOOML-DOMZBBRYSA-N 2 1 311.857 3.020 20 0 DGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414839005 433871499 /nfs/dbraw/zinc/87/14/99/433871499.db2.gz LGAFKLRVKNDCEU-JKSUJKDBSA-N 2 1 319.493 3.490 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000352087838 433903302 /nfs/dbraw/zinc/90/33/02/433903302.db2.gz RUGCNCOYXQSPFR-QGZVFWFLSA-N 2 1 324.468 3.361 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000352087838 433903306 /nfs/dbraw/zinc/90/33/06/433903306.db2.gz RUGCNCOYXQSPFR-QGZVFWFLSA-N 2 1 324.468 3.361 20 0 DGADMP COc1cccc2c(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc(C)nc12 ZINC000352090172 433903418 /nfs/dbraw/zinc/90/34/18/433903418.db2.gz WKXXZSSZOAUEOA-RHSMWYFYSA-N 2 1 311.429 3.082 20 0 DGADMP Cc1ccc(COc2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)cc2)cc1 ZINC000414890394 433903979 /nfs/dbraw/zinc/90/39/79/433903979.db2.gz MQNRPMXMDNWRRP-FQEVSTJZSA-N 2 1 310.441 3.401 20 0 DGADMP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000377544966 433911719 /nfs/dbraw/zinc/91/17/19/433911719.db2.gz WEFLAQHJIUFQNN-JYXZGVCNSA-N 2 1 306.400 3.427 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C[NH3+] ZINC000422633848 433935604 /nfs/dbraw/zinc/93/56/04/433935604.db2.gz IUHGPJGTETVKMW-VNHYZAJKSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H]1C[NH3+] ZINC000422633848 433935611 /nfs/dbraw/zinc/93/56/11/433935611.db2.gz IUHGPJGTETVKMW-VNHYZAJKSA-N 2 1 317.408 3.286 20 0 DGADMP O[C@@H](CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000377564260 433917462 /nfs/dbraw/zinc/91/74/62/433917462.db2.gz PJLGCWAXWZXOSB-OALUTQOASA-N 2 1 302.462 3.060 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422558491 433920231 /nfs/dbraw/zinc/92/02/31/433920231.db2.gz AVWJVKAADFVXTL-ZENOOKHLSA-N 2 1 306.498 3.060 20 0 DGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000303099623 433921151 /nfs/dbraw/zinc/92/11/51/433921151.db2.gz IQJNNFVMBIWLAZ-RBUKOAKNSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414935726 433924880 /nfs/dbraw/zinc/92/48/80/433924880.db2.gz UQIUQTQYMQVFQQ-YWPYICTPSA-N 2 1 300.368 3.397 20 0 DGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436282077 433927046 /nfs/dbraw/zinc/92/70/46/433927046.db2.gz PMVZWHUNQHQICB-UHFFFAOYSA-N 2 1 318.490 3.491 20 0 DGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944472 433929591 /nfs/dbraw/zinc/92/95/91/433929591.db2.gz GUZXLQPNIFHHAZ-NVXWUHKLSA-N 2 1 312.461 3.226 20 0 DGADMP CCCCCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000414949139 433932550 /nfs/dbraw/zinc/93/25/50/433932550.db2.gz NCGZBIIQYVGERJ-NVXWUHKLSA-N 2 1 320.477 3.494 20 0 DGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414854116 433882497 /nfs/dbraw/zinc/88/24/97/433882497.db2.gz UKZFBBPENDHBDU-NSHDSACASA-N 2 1 306.784 3.404 20 0 DGADMP C[C@H]([NH2+]Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000414852488 433882605 /nfs/dbraw/zinc/88/26/05/433882605.db2.gz KAINGALEKOJDRI-QWRGUYRKSA-N 2 1 315.230 3.066 20 0 DGADMP Clc1sc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000414852962 433883804 /nfs/dbraw/zinc/88/38/04/433883804.db2.gz KGQAQLOLLORIAM-QMMMGPOBSA-N 2 1 323.687 3.253 20 0 DGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n(C)n1 ZINC000284333680 433885878 /nfs/dbraw/zinc/88/58/78/433885878.db2.gz MKZSUTYGABGPIQ-REPLKXPHSA-N 2 1 324.472 3.014 20 0 DGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)n1 ZINC000284333680 433885887 /nfs/dbraw/zinc/88/58/87/433885887.db2.gz MKZSUTYGABGPIQ-REPLKXPHSA-N 2 1 324.472 3.014 20 0 DGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855358 433888812 /nfs/dbraw/zinc/88/88/12/433888812.db2.gz WVPLIHJWQBBPDI-KUHUBIRLSA-N 2 1 314.477 3.381 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)s2)o1 ZINC000414856544 433888829 /nfs/dbraw/zinc/88/88/29/433888829.db2.gz OHYSJOMSSDGYOB-OLZOCXBDSA-N 2 1 305.447 3.189 20 0 DGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000422711023 433946100 /nfs/dbraw/zinc/94/61/00/433946100.db2.gz MPZIZCRSYZTRFQ-LZQZEXGQSA-N 2 1 321.484 3.329 20 0 DGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OC)c(OC)c1 ZINC000285437200 433946106 /nfs/dbraw/zinc/94/61/06/433946106.db2.gz LCCMGHGCXZVNMJ-HZPDHXFCSA-N 2 1 306.450 3.229 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414974973 433948741 /nfs/dbraw/zinc/94/87/41/433948741.db2.gz OATMKNOHPGOJEP-ZDUSSCGKSA-N 2 1 307.488 3.349 20 0 DGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422726971 433952093 /nfs/dbraw/zinc/95/20/93/433952093.db2.gz BAWFWFWEXKQSTL-INIZCTEOSA-N 3 1 315.505 3.149 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422726971 433952099 /nfs/dbraw/zinc/95/20/99/433952099.db2.gz BAWFWFWEXKQSTL-INIZCTEOSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422726971 433952111 /nfs/dbraw/zinc/95/21/11/433952111.db2.gz BAWFWFWEXKQSTL-INIZCTEOSA-N 2 1 315.505 3.149 20 0 DGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377684523 433955287 /nfs/dbraw/zinc/95/52/87/433955287.db2.gz XDQWMOXQUASXIR-FQEVSTJZSA-N 2 1 323.484 3.434 20 0 DGADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414984686 433957448 /nfs/dbraw/zinc/95/74/48/433957448.db2.gz VLWKUZSMHXHSMH-KRWDZBQOSA-N 2 1 302.393 3.232 20 0 DGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422745283 433965372 /nfs/dbraw/zinc/96/53/72/433965372.db2.gz LUCGFEMHSSWWLK-YVWKXTFCSA-N 2 1 315.505 3.319 20 0 DGADMP COc1ccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422741686 433965850 /nfs/dbraw/zinc/96/58/50/433965850.db2.gz QAEVLOLCQPMCMA-JXFKEZNVSA-N 2 1 312.457 3.176 20 0 DGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOC1CCCCCC1 ZINC000422750681 433972295 /nfs/dbraw/zinc/97/22/95/433972295.db2.gz AHPOILGHBFFHJI-LPHOPBHVSA-N 2 1 304.478 3.274 20 0 DGADMP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CCCC1 ZINC000415073599 433976610 /nfs/dbraw/zinc/97/66/10/433976610.db2.gz ZOYAJZWOEUHAEK-HNNXBMFYSA-N 2 1 324.852 3.108 20 0 DGADMP C[N@@H+](CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757567 433976875 /nfs/dbraw/zinc/97/68/75/433976875.db2.gz JRFZESSHLPEKPW-SFTDATJTSA-N 2 1 323.484 3.201 20 0 DGADMP CC1CCN([C@@H](C[NH2+]C[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000415078803 433977326 /nfs/dbraw/zinc/97/73/26/433977326.db2.gz HASMSPDZDDFOSH-IRXDYDNUSA-N 2 1 321.534 3.110 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000422752473 433979509 /nfs/dbraw/zinc/97/95/09/433979509.db2.gz HDJKYDFNPYBRFM-MSOLQXFVSA-N 2 1 324.424 3.041 20 0 DGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422767600 433982623 /nfs/dbraw/zinc/98/26/23/433982623.db2.gz SZFFSYYJZCNTHR-XUJVJEKNSA-N 2 1 311.267 3.110 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422768257 433989361 /nfs/dbraw/zinc/98/93/61/433989361.db2.gz RXLTZUWXAVKMSD-ARFHVFGLSA-N 2 1 308.853 3.359 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000303430911 433937648 /nfs/dbraw/zinc/93/76/48/433937648.db2.gz DFCHZJUJGUTLSR-QGZVFWFLSA-N 2 1 312.457 3.435 20 0 DGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699828 433938707 /nfs/dbraw/zinc/93/87/07/433938707.db2.gz BGFXDGBFNGKLTC-WFASDCNBSA-N 2 1 300.368 3.226 20 0 DGADMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccccc2)n1 ZINC000377633919 433940185 /nfs/dbraw/zinc/94/01/85/433940185.db2.gz VTYXSOGLWUSQRD-DFNIBXOVSA-N 2 1 324.472 3.144 20 0 DGADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccccc2)n1 ZINC000377633919 433940194 /nfs/dbraw/zinc/94/01/94/433940194.db2.gz VTYXSOGLWUSQRD-DFNIBXOVSA-N 2 1 324.472 3.144 20 0 DGADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2ccccc2)n1 ZINC000377633919 433940202 /nfs/dbraw/zinc/94/02/02/433940202.db2.gz VTYXSOGLWUSQRD-DFNIBXOVSA-N 2 1 324.472 3.144 20 0 DGADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccccc2)n1 ZINC000377633919 433940211 /nfs/dbraw/zinc/94/02/11/433940211.db2.gz VTYXSOGLWUSQRD-DFNIBXOVSA-N 2 1 324.472 3.144 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000285425195 433941165 /nfs/dbraw/zinc/94/11/65/433941165.db2.gz WBZHMQQGSBZLST-ACAXCVFMSA-N 2 1 316.489 3.302 20 0 DGADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000285425195 433941173 /nfs/dbraw/zinc/94/11/73/433941173.db2.gz WBZHMQQGSBZLST-ACAXCVFMSA-N 2 1 316.489 3.302 20 0 DGADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000352250659 434005053 /nfs/dbraw/zinc/00/50/53/434005053.db2.gz KKKRRDNJSGJSSC-UHFFFAOYSA-N 2 1 314.429 3.055 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000422841069 434046632 /nfs/dbraw/zinc/04/66/32/434046632.db2.gz VCPNXGYIOSIOTN-CLPROHDKSA-N 3 1 315.505 3.147 20 0 DGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000422841069 434046640 /nfs/dbraw/zinc/04/66/40/434046640.db2.gz VCPNXGYIOSIOTN-CLPROHDKSA-N 3 1 315.505 3.147 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340250534 434015113 /nfs/dbraw/zinc/01/51/13/434015113.db2.gz GZJLMXNAPRXOIZ-RTBURBONSA-N 2 1 316.489 3.354 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340250534 434015126 /nfs/dbraw/zinc/01/51/26/434015126.db2.gz GZJLMXNAPRXOIZ-RTBURBONSA-N 2 1 316.489 3.354 20 0 DGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422806653 434022603 /nfs/dbraw/zinc/02/26/03/434022603.db2.gz IRWJZAOQTQJOHP-YGRLFVJLSA-N 2 1 315.230 3.066 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@@H]1c1ccccc1 ZINC000340268143 434026633 /nfs/dbraw/zinc/02/66/33/434026633.db2.gz VLHRCSIQKSOPEV-UTBUEMAESA-N 2 1 314.473 3.369 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@@H]1c1ccccc1 ZINC000340268143 434026641 /nfs/dbraw/zinc/02/66/41/434026641.db2.gz VLHRCSIQKSOPEV-UTBUEMAESA-N 2 1 314.473 3.369 20 0 DGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(OC2CCCC2)c1 ZINC000422819620 434027298 /nfs/dbraw/zinc/02/72/98/434027298.db2.gz IPXXRJPQBZEOHM-GJZGRUSLSA-N 2 1 318.461 3.104 20 0 DGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)cc1 ZINC000422823016 434031366 /nfs/dbraw/zinc/03/13/66/434031366.db2.gz CHFGTPRROXEXRT-SXLOBPIMSA-N 2 1 315.505 3.110 20 0 DGADMP CC[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422829804 434037002 /nfs/dbraw/zinc/03/70/02/434037002.db2.gz CAYMAGTVQZBUNS-XIRDDKMYSA-N 2 1 307.869 3.039 20 0 DGADMP COC1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422837287 434040095 /nfs/dbraw/zinc/04/00/95/434040095.db2.gz LUQDKRUKMHTNAE-DZQINNCISA-N 2 1 302.462 3.275 20 0 DGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401750307 293868619 /nfs/dbraw/zinc/86/86/19/293868619.db2.gz XHSXGLSRQIAERG-LLVKDONJSA-N 2 1 306.479 3.376 20 0 DGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000305105148 434041947 /nfs/dbraw/zinc/04/19/47/434041947.db2.gz BDKQTCRGLSCSQC-HHXXYDBFSA-N 2 1 320.477 3.120 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340224958 433997389 /nfs/dbraw/zinc/99/73/89/433997389.db2.gz FLWQVEJAAPSNBC-QXAKKESOSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340224958 433997397 /nfs/dbraw/zinc/99/73/97/433997397.db2.gz FLWQVEJAAPSNBC-QXAKKESOSA-N 2 1 303.494 3.142 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340224958 433997401 /nfs/dbraw/zinc/99/74/01/433997401.db2.gz FLWQVEJAAPSNBC-QXAKKESOSA-N 2 1 303.494 3.142 20 0 DGADMP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422784047 434000519 /nfs/dbraw/zinc/00/05/19/434000519.db2.gz LSVXSWNMYWRHJA-RDTXWAMCSA-N 2 1 321.896 3.035 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccsc1 ZINC000422861110 434062395 /nfs/dbraw/zinc/06/23/95/434062395.db2.gz MEXRXNOPPVHREG-GVDBMIGSSA-N 2 1 309.523 3.381 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422860031 434062724 /nfs/dbraw/zinc/06/27/24/434062724.db2.gz KYIIZXZNYXFBAF-UWVAXJGDSA-N 2 1 315.505 3.149 20 0 DGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCCC(C)C ZINC000414957276 293894039 /nfs/dbraw/zinc/89/40/39/293894039.db2.gz VZWSGHZJZJSDNV-NVXWUHKLSA-N 2 1 320.477 3.350 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422867861 434064270 /nfs/dbraw/zinc/06/42/70/434064270.db2.gz TYXPLAWRHJIFEB-UXPWSPDFSA-N 3 1 315.505 3.278 20 0 DGADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)s2)cc1 ZINC000414962531 293896064 /nfs/dbraw/zinc/89/60/64/293896064.db2.gz ZTGJPHDJWRGKMT-UKRRQHHQSA-N 2 1 301.459 3.349 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422875666 434070635 /nfs/dbraw/zinc/07/06/35/434070635.db2.gz FOEZCQAJMGAKDT-FUHIMQAGSA-N 3 1 315.505 3.136 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422875388 434073132 /nfs/dbraw/zinc/07/31/32/434073132.db2.gz FCJDSCIKQWLSBC-JKSUJKDBSA-N 3 1 318.509 3.011 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881443 434078031 /nfs/dbraw/zinc/07/80/31/434078031.db2.gz NPPVHOJKKORPHD-MNEFBYGVSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881443 434078037 /nfs/dbraw/zinc/07/80/37/434078037.db2.gz NPPVHOJKKORPHD-MNEFBYGVSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422881443 434078045 /nfs/dbraw/zinc/07/80/45/434078045.db2.gz NPPVHOJKKORPHD-MNEFBYGVSA-N 3 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000422881443 434078055 /nfs/dbraw/zinc/07/80/55/434078055.db2.gz NPPVHOJKKORPHD-MNEFBYGVSA-N 2 1 301.478 3.233 20 0 DGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000422881443 434078062 /nfs/dbraw/zinc/07/80/62/434078062.db2.gz NPPVHOJKKORPHD-MNEFBYGVSA-N 2 1 301.478 3.233 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C[C@@H]1c1ccccc1 ZINC000340350572 434078327 /nfs/dbraw/zinc/07/83/27/434078327.db2.gz OOZNJUBEELMYCQ-IPMKNSEASA-N 2 1 302.462 3.371 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C[C@@H]1c1ccccc1 ZINC000340350572 434078334 /nfs/dbraw/zinc/07/83/34/434078334.db2.gz OOZNJUBEELMYCQ-IPMKNSEASA-N 2 1 302.462 3.371 20 0 DGADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882942 434081829 /nfs/dbraw/zinc/08/18/29/434081829.db2.gz PPTOKNPDUBRFJK-UWVAXJGDSA-N 2 1 315.505 3.149 20 0 DGADMP C[C@@H](O)C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307087937 434083991 /nfs/dbraw/zinc/08/39/91/434083991.db2.gz SKVRWSAXSCXRAK-GOSISDBHSA-N 2 1 312.457 3.049 20 0 DGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363547520 434085109 /nfs/dbraw/zinc/08/51/09/434085109.db2.gz VTIIQXRYGOQHJK-NUJGCVRESA-N 2 1 302.487 3.233 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340361722 434087300 /nfs/dbraw/zinc/08/73/00/434087300.db2.gz ULIRSGRRVNAGLE-KSZLIROESA-N 2 1 304.478 3.209 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340361722 434087309 /nfs/dbraw/zinc/08/73/09/434087309.db2.gz ULIRSGRRVNAGLE-KSZLIROESA-N 2 1 304.478 3.209 20 0 DGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000378139557 434095345 /nfs/dbraw/zinc/09/53/45/434095345.db2.gz LEMLPKDAXXQFHM-IHPCNDPISA-N 2 1 319.537 3.079 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)sc1Br ZINC000309472189 434095458 /nfs/dbraw/zinc/09/54/58/434095458.db2.gz RDXWHRPTTRMYTR-SNVBAGLBSA-N 2 1 305.285 3.421 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340380280 434097209 /nfs/dbraw/zinc/09/72/09/434097209.db2.gz KBOWPBMMAFKNCA-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340380280 434097217 /nfs/dbraw/zinc/09/72/17/434097217.db2.gz KBOWPBMMAFKNCA-ROUUACIJSA-N 2 1 302.462 3.228 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)c1OC ZINC000285887251 434097482 /nfs/dbraw/zinc/09/74/82/434097482.db2.gz ZUXOPZYOUAUCLL-OAHLLOKOSA-N 2 1 308.466 3.393 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)c1OC ZINC000285887251 434097488 /nfs/dbraw/zinc/09/74/88/434097488.db2.gz ZUXOPZYOUAUCLL-OAHLLOKOSA-N 2 1 308.466 3.393 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422852158 434050878 /nfs/dbraw/zinc/05/08/78/434050878.db2.gz ADVIVDBZMJHSGB-LZQZEXGQSA-N 2 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422852158 434050888 /nfs/dbraw/zinc/05/08/88/434050888.db2.gz ADVIVDBZMJHSGB-LZQZEXGQSA-N 3 1 301.478 3.030 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422852158 434050901 /nfs/dbraw/zinc/05/09/01/434050901.db2.gz ADVIVDBZMJHSGB-LZQZEXGQSA-N 3 1 301.478 3.030 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422849778 434052778 /nfs/dbraw/zinc/05/27/78/434052778.db2.gz COPFZIOTJDTMDZ-HDMKZQKVSA-N 3 1 312.461 3.219 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422855441 434055760 /nfs/dbraw/zinc/05/57/60/434055760.db2.gz DXKIEGQOXNFICR-NSISKUIASA-N 3 1 315.505 3.136 20 0 DGADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422855096 434056636 /nfs/dbraw/zinc/05/66/36/434056636.db2.gz DMKIJUQGJFOZQR-DLBZAZTESA-N 3 1 303.494 3.278 20 0 DGADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852773 434057371 /nfs/dbraw/zinc/05/73/71/434057371.db2.gz BHHAEZAHFQKGBN-QKLQHJQFSA-N 2 1 315.505 3.291 20 0 DGADMP Cc1ccncc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285759647 434057430 /nfs/dbraw/zinc/05/74/30/434057430.db2.gz ZJAOHPDFNBPCLC-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ccncc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285759647 434057437 /nfs/dbraw/zinc/05/74/37/434057437.db2.gz ZJAOHPDFNBPCLC-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ccncc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285759647 434057444 /nfs/dbraw/zinc/05/74/44/434057444.db2.gz ZJAOHPDFNBPCLC-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP Cc1ccncc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285759647 434057450 /nfs/dbraw/zinc/05/74/50/434057450.db2.gz ZJAOHPDFNBPCLC-OAQYLSRUSA-N 2 1 321.468 3.488 20 0 DGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccsc1 ZINC000422861109 434059826 /nfs/dbraw/zinc/05/98/26/434059826.db2.gz MEXRXNOPPVHREG-BRWVUGGUSA-N 2 1 309.523 3.381 20 0 DGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1Cl ZINC000422918417 434109373 /nfs/dbraw/zinc/10/93/73/434109373.db2.gz HZHCQLXONDVIEC-RYUDHWBXSA-N 2 1 305.809 3.266 20 0 DGADMP CCCCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310014006 434109717 /nfs/dbraw/zinc/10/97/17/434109717.db2.gz MKSZBOIPOYIGMP-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310014006 434109730 /nfs/dbraw/zinc/10/97/30/434109730.db2.gz MKSZBOIPOYIGMP-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP CCCCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310014006 434109739 /nfs/dbraw/zinc/10/97/39/434109739.db2.gz MKSZBOIPOYIGMP-PMACEKPBSA-N 2 1 316.489 3.257 20 0 DGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422928052 434110643 /nfs/dbraw/zinc/11/06/43/434110643.db2.gz IQDLCSNOIQAZOL-ZOWXZIJZSA-N 2 1 311.267 3.110 20 0 DGADMP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000310485338 434111213 /nfs/dbraw/zinc/11/12/13/434111213.db2.gz MRDHXEYIQYVMTP-VNTMZGSJSA-N 2 1 316.489 3.158 20 0 DGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422922748 434112235 /nfs/dbraw/zinc/11/22/35/434112235.db2.gz UGCDMNCOERKXOP-MFKMUULPSA-N 2 1 302.340 3.034 20 0 DGADMP Cc1sc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422928860 434119529 /nfs/dbraw/zinc/11/95/29/434119529.db2.gz NAIPZBJADOCKJZ-BBRMVZONSA-N 2 1 315.486 3.391 20 0 DGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000363611473 434101433 /nfs/dbraw/zinc/10/14/33/434101433.db2.gz IRYUXUXCXZYGGL-VQIMIIECSA-N 2 1 312.461 3.007 20 0 DGADMP C[C@H]1C[C@H](CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@@H](C)C1 ZINC000363615971 434101666 /nfs/dbraw/zinc/10/16/66/434101666.db2.gz WJCPCJBHQPXNPA-NMLBUPMWSA-N 2 1 321.553 3.161 20 0 DGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000497853082 294043502 /nfs/dbraw/zinc/04/35/02/294043502.db2.gz ODLQETHSWPZFSK-KRWDZBQOSA-N 2 1 324.509 3.353 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000502249312 294160183 /nfs/dbraw/zinc/16/01/83/294160183.db2.gz NWCIDXIZZRELRR-MRXNPFEDSA-N 2 1 304.478 3.421 20 0 DGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000502249312 294160186 /nfs/dbraw/zinc/16/01/86/294160186.db2.gz NWCIDXIZZRELRR-MRXNPFEDSA-N 2 1 304.478 3.421 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)C2)cc1F ZINC000503907788 294204151 /nfs/dbraw/zinc/20/41/51/294204151.db2.gz JARQQYALJKVEBC-QEWYBTABSA-N 2 1 306.425 3.010 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC000503907788 294204154 /nfs/dbraw/zinc/20/41/54/294204154.db2.gz JARQQYALJKVEBC-QEWYBTABSA-N 2 1 306.425 3.010 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1F ZINC000503914840 294204562 /nfs/dbraw/zinc/20/45/62/294204562.db2.gz ZLWLCBZESAOZHN-TUUVXOQKSA-N 2 1 306.425 3.153 20 0 DGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1F ZINC000503914840 294204565 /nfs/dbraw/zinc/20/45/65/294204565.db2.gz ZLWLCBZESAOZHN-TUUVXOQKSA-N 2 1 306.425 3.153 20 0 DGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000353433312 434128035 /nfs/dbraw/zinc/12/80/35/434128035.db2.gz FQQLZTMDTRIXEI-HNNXBMFYSA-N 2 1 308.466 3.395 20 0 DGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422944390 434130078 /nfs/dbraw/zinc/13/00/78/434130078.db2.gz MFYPPYWMUAMHBO-BMGDILEWSA-N 2 1 317.477 3.421 20 0 DGADMP C[C@H]([NH2+]CCCOc1cccc2cccnc21)[C@@H]1CCCC[NH2+]1 ZINC000422952233 434135411 /nfs/dbraw/zinc/13/54/11/434135411.db2.gz ANBMJKLGIXHAPZ-RDJZCZTQSA-N 2 1 313.445 3.124 20 0 DGADMP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422956856 434136797 /nfs/dbraw/zinc/13/67/97/434136797.db2.gz MFAGCDDQSSFLDX-RHSMWYFYSA-N 2 1 322.880 3.118 20 0 DGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC=CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422972466 434148463 /nfs/dbraw/zinc/14/84/63/434148463.db2.gz LSUTXWRJYONZGV-LZQZEXGQSA-N 2 1 300.446 3.434 20 0 DGADMP COc1ccc(C[C@H](C)C[N@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000346169460 434165828 /nfs/dbraw/zinc/16/58/28/434165828.db2.gz QMLWUZALWQOJHN-HNNXBMFYSA-N 2 1 301.434 3.011 20 0 DGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000346169460 434165839 /nfs/dbraw/zinc/16/58/39/434165839.db2.gz QMLWUZALWQOJHN-HNNXBMFYSA-N 2 1 301.434 3.011 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422996198 434157671 /nfs/dbraw/zinc/15/76/71/434157671.db2.gz LHFSTQIMLDATJU-DFQSSKMNSA-N 2 1 317.521 3.045 20 0 DGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998418 434158005 /nfs/dbraw/zinc/15/80/05/434158005.db2.gz CQLKRFYNQQFMTF-LCLWPZTBSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998418 434158014 /nfs/dbraw/zinc/15/80/14/434158014.db2.gz CQLKRFYNQQFMTF-LCLWPZTBSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422998418 434158024 /nfs/dbraw/zinc/15/80/24/434158024.db2.gz CQLKRFYNQQFMTF-LCLWPZTBSA-N 2 1 315.505 3.017 20 0 DGADMP CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000423010113 434164597 /nfs/dbraw/zinc/16/45/97/434164597.db2.gz WZPCQTCMSQIAMV-SUMWQHHRSA-N 2 1 317.433 3.042 20 0 DGADMP c1c[nH]c([C@@H](N[C@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)n1 ZINC000363862065 434170520 /nfs/dbraw/zinc/17/05/20/434170520.db2.gz GKWKFTWLVPGHIL-WMZOPIPTSA-N 2 1 310.445 3.106 20 0 DGADMP Clc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000423033841 434178507 /nfs/dbraw/zinc/17/85/07/434178507.db2.gz HFRBYOSKORWPLP-YESZJQIVSA-N 2 1 320.864 3.285 20 0 DGADMP OC[C@H](CC1CCCC1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423029758 434179287 /nfs/dbraw/zinc/17/92/87/434179287.db2.gz VIUNZYCKCNRHDF-FHWLQOOXSA-N 2 1 302.462 3.011 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc2cccnc12 ZINC000346180589 434180386 /nfs/dbraw/zinc/18/03/86/434180386.db2.gz UETAYAKVVOJLJY-MOPGFXCFSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180589 434180394 /nfs/dbraw/zinc/18/03/94/434180394.db2.gz UETAYAKVVOJLJY-MOPGFXCFSA-N 2 1 309.457 3.459 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc2cccnc12 ZINC000346180589 434180405 /nfs/dbraw/zinc/18/04/05/434180405.db2.gz UETAYAKVVOJLJY-MOPGFXCFSA-N 2 1 309.457 3.459 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000353512732 434187925 /nfs/dbraw/zinc/18/79/25/434187925.db2.gz QVRMQQHORPDGBP-HDYDNRTBSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1ccc(Br)cc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423055141 434192564 /nfs/dbraw/zinc/19/25/64/434192564.db2.gz CTULGOODRCECSN-LLVKDONJSA-N 2 1 320.234 3.416 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450461142 434197483 /nfs/dbraw/zinc/19/74/83/434197483.db2.gz UTMIUKXWFXMJLA-INIZCTEOSA-N 2 1 320.452 3.452 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450461142 434197493 /nfs/dbraw/zinc/19/74/93/434197493.db2.gz UTMIUKXWFXMJLA-INIZCTEOSA-N 2 1 320.452 3.452 20 0 DGADMP C[C@H]([NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423061060 434199530 /nfs/dbraw/zinc/19/95/30/434199530.db2.gz PXNVNNZGYLISHU-WFASDCNBSA-N 2 1 312.379 3.467 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccccc2)OC)C[C@@H]1C ZINC000450465063 434204390 /nfs/dbraw/zinc/20/43/90/434204390.db2.gz CZMKZOCIVAEMDL-WDSOQIARSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccccc2)OC)C[C@@H]1C ZINC000450465063 434204396 /nfs/dbraw/zinc/20/43/96/434204396.db2.gz CZMKZOCIVAEMDL-WDSOQIARSA-N 2 1 304.478 3.049 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccccc2)OC)C[C@@H]1C ZINC000450465063 434204405 /nfs/dbraw/zinc/20/44/05/434204405.db2.gz CZMKZOCIVAEMDL-WDSOQIARSA-N 2 1 304.478 3.049 20 0 DGADMP COCc1nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(-c2ccccc2)s1 ZINC000423104057 434216452 /nfs/dbraw/zinc/21/64/52/434216452.db2.gz PRRLPZQKBJHADX-QWHCGFSZSA-N 2 1 319.474 3.172 20 0 DGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423099949 434216575 /nfs/dbraw/zinc/21/65/75/434216575.db2.gz FXBYQIMDLQQVEI-BRWVUGGUSA-N 2 1 309.885 3.192 20 0 DGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423012155 434166485 /nfs/dbraw/zinc/16/64/85/434166485.db2.gz KCXURSFKXZGHFS-LBPRGKRZSA-N 2 1 319.836 3.440 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)c(C)c1OC ZINC000353578411 434242059 /nfs/dbraw/zinc/24/20/59/434242059.db2.gz RFKWRSSEXUMUKS-LSDHHAIUSA-N 2 1 322.493 3.262 20 0 DGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)c(C)c1OC ZINC000353578411 434242066 /nfs/dbraw/zinc/24/20/66/434242066.db2.gz RFKWRSSEXUMUKS-LSDHHAIUSA-N 2 1 322.493 3.262 20 0 DGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000320585656 434242120 /nfs/dbraw/zinc/24/21/20/434242120.db2.gz BMNFWSPSUSBUNF-HZPDHXFCSA-N 2 1 320.477 3.476 20 0 DGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000353583581 434248903 /nfs/dbraw/zinc/24/89/03/434248903.db2.gz YYOBOBIZCNZRHO-CABCVRRESA-N 2 1 302.466 3.202 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000353583581 434248911 /nfs/dbraw/zinc/24/89/11/434248911.db2.gz YYOBOBIZCNZRHO-CABCVRRESA-N 2 1 302.466 3.202 20 0 DGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378965833 434253555 /nfs/dbraw/zinc/25/35/55/434253555.db2.gz UKMBMVZMXJIXCT-JQHSSLGASA-N 2 1 302.462 3.233 20 0 DGADMP C[C@H](CC[NH2+][C@H]1COc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000379647164 434257776 /nfs/dbraw/zinc/25/77/76/434257776.db2.gz JZRFZFDSEFYEFF-YLJYHZDGSA-N 2 1 324.468 3.490 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1Br ZINC000423164090 434259102 /nfs/dbraw/zinc/25/91/02/434259102.db2.gz NVPYJUCOVOKLCC-LLVKDONJSA-N 2 1 320.234 3.416 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379652680 434260600 /nfs/dbraw/zinc/26/06/00/434260600.db2.gz XRHDEUHESJFURQ-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379652680 434260607 /nfs/dbraw/zinc/26/06/07/434260607.db2.gz XRHDEUHESJFURQ-PKOBYXMFSA-N 2 1 304.478 3.446 20 0 DGADMP COc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000379656265 434261394 /nfs/dbraw/zinc/26/13/94/434261394.db2.gz OQICHQYDOQCYJO-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP COc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000379656265 434261401 /nfs/dbraw/zinc/26/14/01/434261401.db2.gz OQICHQYDOQCYJO-INIZCTEOSA-N 2 1 313.445 3.090 20 0 DGADMP Cc1c([C@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000423176051 434262994 /nfs/dbraw/zinc/26/29/94/434262994.db2.gz BSKSKRULMPAVKW-HNNXBMFYSA-N 2 1 312.461 3.200 20 0 DGADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380948779 434268027 /nfs/dbraw/zinc/26/80/27/434268027.db2.gz QFKSZLIRTLREHD-SJLPKXTDSA-N 2 1 304.478 3.302 20 0 DGADMP Brc1ccccc1C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423192599 434276772 /nfs/dbraw/zinc/27/67/72/434276772.db2.gz PTSUMIAOHFUXJQ-HOCLYGCPSA-N 2 1 323.278 3.112 20 0 DGADMP Brc1ccccc1C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423192598 434275213 /nfs/dbraw/zinc/27/52/13/434275213.db2.gz PTSUMIAOHFUXJQ-GOEBONIOSA-N 2 1 323.278 3.112 20 0 DGADMP C[C@@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)C1C[NH2+]C1 ZINC000423105441 434222541 /nfs/dbraw/zinc/22/25/41/434222541.db2.gz NHSXMTVBWMUWJD-SNVBAGLBSA-N 2 1 307.850 3.161 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423132591 434239294 /nfs/dbraw/zinc/23/92/94/434239294.db2.gz JLHGFOIWHNDETL-VHDGCEQUSA-N 2 1 300.368 3.310 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000384032968 434291220 /nfs/dbraw/zinc/29/12/20/434291220.db2.gz LRQVAEXOHBJOAP-YLJYHZDGSA-N 2 1 324.468 3.435 20 0 DGADMP C[C@@H]1C[C@H](CC[NH2+]CC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000437788201 434333574 /nfs/dbraw/zinc/33/35/74/434333574.db2.gz SREYXTFRORYIPN-RLLQIKCJSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384956446 434294847 /nfs/dbraw/zinc/29/48/47/434294847.db2.gz RVNPGRMAUJCTHB-UMGGQSCQSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000358030552 434296091 /nfs/dbraw/zinc/29/60/91/434296091.db2.gz ATIFMYSJOKXHNB-UZLBHIALSA-N 2 1 315.505 3.099 20 0 DGADMP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000286880181 434296923 /nfs/dbraw/zinc/29/69/23/434296923.db2.gz CITLTMGKJYZIAS-MLVLIFOTSA-N 2 1 310.485 3.396 20 0 DGADMP C[C@H](NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423235068 434305588 /nfs/dbraw/zinc/30/55/88/434305588.db2.gz GEPIVJNHXJYWBH-YYWHXJBOSA-N 2 1 323.484 3.187 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000295323152 434309272 /nfs/dbraw/zinc/30/92/72/434309272.db2.gz LXECPAWPEMZCFI-ZWKOTPCHSA-N 2 1 304.478 3.038 20 0 DGADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000295323152 434309284 /nfs/dbraw/zinc/30/92/84/434309284.db2.gz LXECPAWPEMZCFI-ZWKOTPCHSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348423829 434314487 /nfs/dbraw/zinc/31/44/87/434314487.db2.gz VZEWYUDYTCQBLA-KFWWJZLASA-N 2 1 322.415 3.196 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348423829 434314495 /nfs/dbraw/zinc/31/44/95/434314495.db2.gz VZEWYUDYTCQBLA-KFWWJZLASA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000295342576 434320688 /nfs/dbraw/zinc/32/06/88/434320688.db2.gz IANOURUTRZRTAU-YJBOKZPZSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000295342570 434320893 /nfs/dbraw/zinc/32/08/93/434320893.db2.gz IANOURUTRZRTAU-QAPCUYQASA-N 2 1 304.478 3.168 20 0 DGADMP COC(=O)c1csc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000353671675 434322151 /nfs/dbraw/zinc/32/21/51/434322151.db2.gz LRHPBVRGTVFWRI-KBPBESRZSA-N 2 1 324.490 3.450 20 0 DGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC3(CCC3)C2)CC1 ZINC000353671494 434322542 /nfs/dbraw/zinc/32/25/42/434322542.db2.gz NQOXOQFLBMTOMT-UHFFFAOYSA-N 2 1 313.489 3.205 20 0 DGADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423264340 434322780 /nfs/dbraw/zinc/32/27/80/434322780.db2.gz PXUYBJQXKATLJV-KXBFYZLASA-N 2 1 320.477 3.270 20 0 DGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423264617 434322805 /nfs/dbraw/zinc/32/28/05/434322805.db2.gz AJQWZDAUDVLHFW-IINYFYTJSA-N 2 1 300.418 3.432 20 0 DGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Br ZINC000423264470 434324431 /nfs/dbraw/zinc/32/44/31/434324431.db2.gz BZVWGVUHTRNRMW-GXFFZTMASA-N 2 1 315.255 3.092 20 0 DGADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423264337 434325244 /nfs/dbraw/zinc/32/52/44/434325244.db2.gz PXUYBJQXKATLJV-BEFAXECRSA-N 2 1 320.477 3.270 20 0 DGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423264273 434325480 /nfs/dbraw/zinc/32/54/80/434325480.db2.gz PSRAEKUTQWDXLG-ACJLOTCBSA-N 2 1 303.450 3.203 20 0 DGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287293795 434326594 /nfs/dbraw/zinc/32/65/94/434326594.db2.gz KFZLSDXZAIDMPM-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000287293795 434326602 /nfs/dbraw/zinc/32/66/02/434326602.db2.gz KFZLSDXZAIDMPM-XLIONFOSSA-N 2 1 315.505 3.113 20 0 DGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423269556 434327635 /nfs/dbraw/zinc/32/76/35/434327635.db2.gz HERWHSHLBMYSCH-HOCLYGCPSA-N 2 1 314.477 3.304 20 0 DGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423272118 434330329 /nfs/dbraw/zinc/33/03/29/434330329.db2.gz YMRGEOSGQLBXIS-JKSUJKDBSA-N 2 1 306.425 3.319 20 0 DGADMP CC(C)[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450724882 434364270 /nfs/dbraw/zinc/36/42/70/434364270.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724882 434364274 /nfs/dbraw/zinc/36/42/74/434364274.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)[NH+]1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724882 434364284 /nfs/dbraw/zinc/36/42/84/434364284.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724882 434364293 /nfs/dbraw/zinc/36/42/93/434364293.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 2 1 321.553 3.492 20 0 DGADMP CC(C)N1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724882 434364302 /nfs/dbraw/zinc/36/43/02/434364302.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 2 1 321.553 3.492 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)C1CC1 ZINC000423330898 434365721 /nfs/dbraw/zinc/36/57/21/434365721.db2.gz UJJDLXWEMXGPKR-LSDHHAIUSA-N 2 1 309.251 3.153 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000390646036 434366219 /nfs/dbraw/zinc/36/62/19/434366219.db2.gz MGEJCPOVGUAESW-RBUKOAKNSA-N 2 1 316.489 3.303 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000390646036 434366228 /nfs/dbraw/zinc/36/62/28/434366228.db2.gz MGEJCPOVGUAESW-RBUKOAKNSA-N 2 1 316.489 3.303 20 0 DGADMP CCCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423337414 434370160 /nfs/dbraw/zinc/37/01/60/434370160.db2.gz VNSGBRCYEUXYNS-AWEZNQCLSA-N 2 1 306.450 3.406 20 0 DGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423339721 434371912 /nfs/dbraw/zinc/37/19/12/434371912.db2.gz ZNEKNUFBJHUULN-UXHICEINSA-N 2 1 310.441 3.306 20 0 DGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000390836567 434372184 /nfs/dbraw/zinc/37/21/84/434372184.db2.gz ABVYVYSWFVTVDP-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000390836567 434372194 /nfs/dbraw/zinc/37/21/94/434372194.db2.gz ABVYVYSWFVTVDP-OALUTQOASA-N 2 1 316.489 3.446 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390870972 434375894 /nfs/dbraw/zinc/37/58/94/434375894.db2.gz JNDHVRQRKHQSFH-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390870972 434375899 /nfs/dbraw/zinc/37/58/99/434375899.db2.gz JNDHVRQRKHQSFH-FUHWJXTLSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000391193281 434381644 /nfs/dbraw/zinc/38/16/44/434381644.db2.gz SUGFMEGOPSZVRF-UHFFFAOYSA-N 2 1 309.457 3.187 20 0 DGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000358213567 434383920 /nfs/dbraw/zinc/38/39/20/434383920.db2.gz AQUPMSNLXJYSOV-FFGOWVMKSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000423369190 434383852 /nfs/dbraw/zinc/38/38/52/434383852.db2.gz FQSKLJCYKYIFOZ-UTUOFQBUSA-N 2 1 302.340 3.376 20 0 DGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423280231 434337193 /nfs/dbraw/zinc/33/71/93/434337193.db2.gz SMYUZXQBVHABBX-LSDHHAIUSA-N 2 1 309.251 3.153 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ncc(Br)s1 ZINC000423284921 434338079 /nfs/dbraw/zinc/33/80/79/434338079.db2.gz XNQKZGPCLGVVSR-AEJSXWLSSA-N 2 1 318.284 3.074 20 0 DGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423280366 434340379 /nfs/dbraw/zinc/34/03/79/434340379.db2.gz TYEUXTBXLCNAMW-YOEHRIQHSA-N 2 1 320.481 3.194 20 0 DGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2c(Br)cccc21)C1CC1 ZINC000423280229 434340588 /nfs/dbraw/zinc/34/05/88/434340588.db2.gz SMYUZXQBVHABBX-GJZGRUSLSA-N 2 1 309.251 3.153 20 0 DGADMP CC(C)([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289042 434345794 /nfs/dbraw/zinc/34/57/94/434345794.db2.gz VXPYLNCUKQWSAV-CEXWTWQISA-N 2 1 315.505 3.004 20 0 DGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150414 434346196 /nfs/dbraw/zinc/34/61/96/434346196.db2.gz DGIVFVRKEJQOHB-KGLIPLIRSA-N 2 1 307.507 3.357 20 0 DGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423303096 434348055 /nfs/dbraw/zinc/34/80/55/434348055.db2.gz WNEHRXPVISROCX-IJEWVQPXSA-N 2 1 308.466 3.303 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000287410760 434352243 /nfs/dbraw/zinc/35/22/43/434352243.db2.gz JQAQUNSUDDYJEB-LFGUQSLTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000287410760 434352253 /nfs/dbraw/zinc/35/22/53/434352253.db2.gz JQAQUNSUDDYJEB-LFGUQSLTSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417317667 434353529 /nfs/dbraw/zinc/35/35/29/434353529.db2.gz XEKWNVSNTAWWOV-LUKYLMHMSA-N 2 1 322.518 3.067 20 0 DGADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423309452 434355219 /nfs/dbraw/zinc/35/52/19/434355219.db2.gz ZUSSYEKHPMPXIF-CYBMUJFWSA-N 2 1 300.377 3.488 20 0 DGADMP Cc1cc(NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000358159155 434357531 /nfs/dbraw/zinc/35/75/31/434357531.db2.gz YURIRGQFUAWHDL-HXUWFJFHSA-N 2 1 309.457 3.307 20 0 DGADMP [NH3+][C@@H](C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000423317890 434359935 /nfs/dbraw/zinc/35/99/35/434359935.db2.gz KUODDDFXTIYCAZ-GJZGRUSLSA-N 2 1 314.351 3.363 20 0 DGADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423383495 434395711 /nfs/dbraw/zinc/39/57/11/434395711.db2.gz JLMBISQKYBETAC-GSEOLPGOSA-N 2 1 315.505 3.017 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)C1 ZINC000438085513 434398942 /nfs/dbraw/zinc/39/89/42/434398942.db2.gz CGHDNDFYFXNWOP-YLJYHZDGSA-N 2 1 316.489 3.435 20 0 DGADMP CC[N@H+]1CC[C@@H](CN[C@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626638 434411072 /nfs/dbraw/zinc/41/10/72/434411072.db2.gz KBCWUJGPXDVNHW-SWLSCSKDSA-N 2 1 314.832 3.098 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115497 434413420 /nfs/dbraw/zinc/41/34/20/434413420.db2.gz HTOMHWJUZOUXRG-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115497 434413430 /nfs/dbraw/zinc/41/34/30/434413430.db2.gz HTOMHWJUZOUXRG-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115497 434413435 /nfs/dbraw/zinc/41/34/35/434413435.db2.gz HTOMHWJUZOUXRG-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@H](C)C1 ZINC000438115497 434413443 /nfs/dbraw/zinc/41/34/43/434413443.db2.gz HTOMHWJUZOUXRG-FZKQIMNGSA-N 2 1 303.425 3.469 20 0 DGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccc(F)cc2)s1 ZINC000423442145 434424624 /nfs/dbraw/zinc/42/46/24/434424624.db2.gz VANIVXNWRMCSTA-KWAYOQMPSA-N 2 1 302.418 3.423 20 0 DGADMP Cc1ccc(-c2cnc(CN3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000366479475 434427055 /nfs/dbraw/zinc/42/70/55/434427055.db2.gz GUBNTQPPUSBRCR-IBGZPJMESA-N 2 1 311.429 3.178 20 0 DGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C[NH3+] ZINC000397411476 434436064 /nfs/dbraw/zinc/43/60/64/434436064.db2.gz QZDHZXBLENJZIO-VNHYZAJKSA-N 2 1 317.408 3.286 20 0 DGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1C[NH3+] ZINC000397411476 434436074 /nfs/dbraw/zinc/43/60/74/434436074.db2.gz QZDHZXBLENJZIO-VNHYZAJKSA-N 2 1 317.408 3.286 20 0 DGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCS2 ZINC000423499220 434458686 /nfs/dbraw/zinc/45/86/86/434458686.db2.gz IZCYGCPKAXDYTO-HOTGVXAUSA-N 2 1 306.475 3.339 20 0 DGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000423500082 434461968 /nfs/dbraw/zinc/46/19/68/434461968.db2.gz KBWHVFWEBKKGTJ-DLBZAZTESA-N 2 1 304.434 3.031 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000348747208 434471721 /nfs/dbraw/zinc/47/17/21/434471721.db2.gz IPPOFDBHZLMDRJ-RBUKOAKNSA-N 2 1 320.477 3.050 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H](C)C1 ZINC000348756887 434476496 /nfs/dbraw/zinc/47/64/96/434476496.db2.gz QZCQDUKFUOURRK-XSCHDIRWSA-N 2 1 322.415 3.054 20 0 DGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000423526832 434477503 /nfs/dbraw/zinc/47/75/03/434477503.db2.gz LRCOBDAMRSRGEU-JKSUJKDBSA-N 2 1 304.434 3.016 20 0 DGADMP COc1cc(OC)c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000423532304 434479655 /nfs/dbraw/zinc/47/96/55/434479655.db2.gz VCGCIBRMWKEPAI-LLVKDONJSA-N 2 1 312.841 3.150 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000296031299 434484536 /nfs/dbraw/zinc/48/45/36/434484536.db2.gz QDMFNEXILRKFBI-APWZRJJASA-N 2 1 324.472 3.492 20 0 DGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000296031299 434484545 /nfs/dbraw/zinc/48/45/45/434484545.db2.gz QDMFNEXILRKFBI-APWZRJJASA-N 2 1 324.472 3.492 20 0 DGADMP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400521504 434486345 /nfs/dbraw/zinc/48/63/45/434486345.db2.gz CXZWRMGNUCDRIE-SXLOBPIMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400521507 434487667 /nfs/dbraw/zinc/48/76/67/434487667.db2.gz CXZWRMGNUCDRIE-YSIASYRMSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488692 434449801 /nfs/dbraw/zinc/44/98/01/434449801.db2.gz VNKHPFCDFWUZIF-HOJAQTOUSA-N 3 1 315.505 3.019 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488692 434449811 /nfs/dbraw/zinc/44/98/11/434449811.db2.gz VNKHPFCDFWUZIF-HOJAQTOUSA-N 3 1 315.505 3.019 20 0 DGADMP Fc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423487308 434451102 /nfs/dbraw/zinc/45/11/02/434451102.db2.gz CKBJYPPKNCWGMD-MSOLQXFVSA-N 2 1 306.425 3.025 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000398148523 434454779 /nfs/dbraw/zinc/45/47/79/434454779.db2.gz OQAOLHIWWOVRDF-BHIYHBOVSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000404381357 434512061 /nfs/dbraw/zinc/51/20/61/434512061.db2.gz ULNUTYOSFKZQOE-DYVFJYSZSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000404381357 434512064 /nfs/dbraw/zinc/51/20/64/434512064.db2.gz ULNUTYOSFKZQOE-DYVFJYSZSA-N 2 1 317.408 3.430 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000353919614 434525719 /nfs/dbraw/zinc/52/57/19/434525719.db2.gz YRXKTJPGYBLLPV-UHFFFAOYSA-N 2 1 300.450 3.001 20 0 DGADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000353919614 434525725 /nfs/dbraw/zinc/52/57/25/434525725.db2.gz YRXKTJPGYBLLPV-UHFFFAOYSA-N 2 1 300.450 3.001 20 0 DGADMP Cc1ccc(CCC[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000353927501 434529721 /nfs/dbraw/zinc/52/97/21/434529721.db2.gz JLJMGDZIXAZXEJ-KRWDZBQOSA-N 2 1 303.494 3.424 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000353945182 434537549 /nfs/dbraw/zinc/53/75/49/434537549.db2.gz OEARMUAASSJFFH-MUYFXNHWSA-N 2 1 324.509 3.353 20 0 DGADMP CC[NH+](CC)CCOC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000353949587 434541131 /nfs/dbraw/zinc/54/11/31/434541131.db2.gz CUFSTWIWWIUNPS-UHFFFAOYSA-N 2 1 311.857 3.062 20 0 DGADMP CC[NH+]1CCC([NH2+][C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000360238324 434555893 /nfs/dbraw/zinc/55/58/93/434555893.db2.gz MVVJBHAEMTWFJR-OALUTQOASA-N 2 1 302.462 3.289 20 0 DGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000525857278 295038517 /nfs/dbraw/zinc/03/85/17/295038517.db2.gz VPZAUERVHOPIEX-MOPGFXCFSA-N 2 1 304.478 3.159 20 0 DGADMP Cc1cccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)c1 ZINC000527893002 295146126 /nfs/dbraw/zinc/14/61/26/295146126.db2.gz JLQRZPHIBYKWJJ-IBGZPJMESA-N 2 1 317.521 3.308 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC12CC2 ZINC000527894386 295146468 /nfs/dbraw/zinc/14/64/68/295146468.db2.gz GZSJLCULISRJHP-YTQUADARSA-N 2 1 314.473 3.056 20 0 DGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC12CC2 ZINC000527894386 295146469 /nfs/dbraw/zinc/14/64/69/295146469.db2.gz GZSJLCULISRJHP-YTQUADARSA-N 2 1 314.473 3.056 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527996642 295161981 /nfs/dbraw/zinc/16/19/81/295161981.db2.gz PXEUIXFHGMWBSY-SJCJKPOMSA-N 2 1 303.425 3.088 20 0 DGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000527997919 295162581 /nfs/dbraw/zinc/16/25/81/295162581.db2.gz XKHOQKLRCRNPLL-XEKQOVJPSA-N 2 1 317.452 3.476 20 0 DGADMP C[N@H+]1CCC[C@H]2CN(Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407507 295209491 /nfs/dbraw/zinc/20/94/91/295209491.db2.gz QCQPJEALXQQLNJ-GXTWGEPZSA-N 2 1 313.367 3.017 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccc(F)cc2)OC)[C@H](C)C1 ZINC000528417586 295210926 /nfs/dbraw/zinc/21/09/26/295210926.db2.gz STZJNSQXSFFRPZ-MNEFBYGVSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccc(F)cc2)OC)[C@H](C)C1 ZINC000528417586 295210928 /nfs/dbraw/zinc/21/09/28/295210928.db2.gz STZJNSQXSFFRPZ-MNEFBYGVSA-N 2 1 322.468 3.045 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccc(F)cc2)OC)[C@H](C)C1 ZINC000528417586 295210931 /nfs/dbraw/zinc/21/09/31/295210931.db2.gz STZJNSQXSFFRPZ-MNEFBYGVSA-N 2 1 322.468 3.045 20 0 DGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000423342755 295225598 /nfs/dbraw/zinc/22/55/98/295225598.db2.gz VPFCDCLRPQXDDD-RBUKOAKNSA-N 2 1 314.473 3.453 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452062460 434583952 /nfs/dbraw/zinc/58/39/52/434583952.db2.gz SLZYVOMATWZLQX-GDBMZVCRSA-N 2 1 308.491 3.026 20 0 DGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000424381125 295301189 /nfs/dbraw/zinc/30/11/89/295301189.db2.gz YFVCZBQUHMVWGU-RBSFLKMASA-N 2 1 309.251 3.296 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459535396 434596801 /nfs/dbraw/zinc/59/68/01/434596801.db2.gz GLPUJIJPXIYKKS-OALUTQOASA-N 2 1 316.489 3.354 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459535394 434595949 /nfs/dbraw/zinc/59/59/49/434595949.db2.gz GLPUJIJPXIYKKS-MOPGFXCFSA-N 2 1 316.489 3.354 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000349134066 434615049 /nfs/dbraw/zinc/61/50/49/434615049.db2.gz WRKSMCLSNUHFMD-UHFFFAOYSA-N 2 1 317.481 3.378 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000349134066 434615060 /nfs/dbraw/zinc/61/50/60/434615060.db2.gz WRKSMCLSNUHFMD-UHFFFAOYSA-N 2 1 317.481 3.378 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000354095903 434618442 /nfs/dbraw/zinc/61/84/42/434618442.db2.gz FWIWOBNRDCDLOD-IBGZPJMESA-N 2 1 304.478 3.236 20 0 DGADMP COc1ccc2c(c1)CC[N@H+](Cc1cnc3cccc(C)n13)CC2 ZINC000439778905 434645415 /nfs/dbraw/zinc/64/54/15/434645415.db2.gz BPZHQHNRNOJURE-UHFFFAOYSA-N 2 1 321.424 3.252 20 0 DGADMP COc1ccc2c(c1)CCN(Cc1cnc3cccc(C)n13)CC2 ZINC000439778905 434645422 /nfs/dbraw/zinc/64/54/22/434645422.db2.gz BPZHQHNRNOJURE-UHFFFAOYSA-N 2 1 321.424 3.252 20 0 DGADMP CC(C)n1cncc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000424130293 434631063 /nfs/dbraw/zinc/63/10/63/434631063.db2.gz HIZBVRNCXXFVNI-UHFFFAOYSA-N 2 1 312.461 3.002 20 0 DGADMP CC(C)n1cncc1C[NH2+]CCCN1CCc2ccccc2C1 ZINC000424130293 434631070 /nfs/dbraw/zinc/63/10/70/434631070.db2.gz HIZBVRNCXXFVNI-UHFFFAOYSA-N 2 1 312.461 3.002 20 0 DGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1C(C)C ZINC000424148992 434637513 /nfs/dbraw/zinc/63/75/13/434637513.db2.gz VPKRACUGVVPXHJ-SJLPKXTDSA-N 2 1 306.498 3.454 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCC(C)(C)C)CC1 ZINC000410339432 434640917 /nfs/dbraw/zinc/64/09/17/434640917.db2.gz SNDAVVVIOASVOH-HDICACEKSA-N 2 1 309.542 3.303 20 0 DGADMP C[C@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354154958 434643734 /nfs/dbraw/zinc/64/37/34/434643734.db2.gz GFZBFUDRNMXLLG-VOBGVNJCSA-N 2 1 315.505 3.112 20 0 DGADMP C[NH+]1CCC([N@H+](CC[C@H]2CCOC2)Cc2ccccc2)CC1 ZINC000349242468 434646222 /nfs/dbraw/zinc/64/62/22/434646222.db2.gz LWFPDPCCMCCASI-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP C[NH+]1CCC([N@@H+](CC[C@H]2CCOC2)Cc2ccccc2)CC1 ZINC000349242468 434646228 /nfs/dbraw/zinc/64/62/28/434646228.db2.gz LWFPDPCCMCCASI-SFHVURJKSA-N 2 1 302.462 3.009 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000354179863 434660350 /nfs/dbraw/zinc/66/03/50/434660350.db2.gz FVMDXQWCMZXGDB-XNYRCJLNSA-N 2 1 324.509 3.208 20 0 DGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000354179863 434660354 /nfs/dbraw/zinc/66/03/54/434660354.db2.gz FVMDXQWCMZXGDB-XNYRCJLNSA-N 2 1 324.509 3.208 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424327832 434699694 /nfs/dbraw/zinc/69/96/94/434699694.db2.gz PBPJWEXXKFPVON-KFWWJZLASA-N 2 1 312.498 3.063 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424284253 434677738 /nfs/dbraw/zinc/67/77/38/434677738.db2.gz DGAWSAPRDHHOOC-CYBMUJFWSA-N 2 1 323.278 3.413 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000459732752 434682142 /nfs/dbraw/zinc/68/21/42/434682142.db2.gz MUXRGXHHBHPZLQ-ZDUSSCGKSA-N 2 1 316.367 3.407 20 0 DGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(-c3ccccc3)o1)CC[NH2+]CC2 ZINC000424296644 434682919 /nfs/dbraw/zinc/68/29/19/434682919.db2.gz SDBIGTSMIUIHEB-HNNXBMFYSA-N 2 1 311.429 3.306 20 0 DGADMP C[C@H]1CCc2nc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000459734364 434685019 /nfs/dbraw/zinc/68/50/19/434685019.db2.gz OOXKXMRJUOROLM-KBPBESRZSA-N 2 1 307.507 3.089 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459736535 434685931 /nfs/dbraw/zinc/68/59/31/434685931.db2.gz GLFLVHUTSRTYIA-AITUJVMLSA-N 2 1 302.462 3.197 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459736535 434685937 /nfs/dbraw/zinc/68/59/37/434685937.db2.gz GLFLVHUTSRTYIA-AITUJVMLSA-N 2 1 302.462 3.197 20 0 DGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(C(F)(F)F)cn1)CC[NH2+]CC2 ZINC000424300567 434686001 /nfs/dbraw/zinc/68/60/01/434686001.db2.gz WTWQFXQYUAUFSL-GFCCVEGCSA-N 2 1 313.367 3.064 20 0 DGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459738783 434688368 /nfs/dbraw/zinc/68/83/68/434688368.db2.gz JKDNZIITUHCMMR-OWYHZJEWSA-N 2 1 302.462 3.054 20 0 DGADMP CO[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411223466 434747397 /nfs/dbraw/zinc/74/73/97/434747397.db2.gz CXMLIBYDDHFKMJ-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411245415 434749157 /nfs/dbraw/zinc/74/91/57/434749157.db2.gz KKVUPIAFCAVCFK-ZWKOTPCHSA-N 2 1 313.420 3.370 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000360982200 434753546 /nfs/dbraw/zinc/75/35/46/434753546.db2.gz GYQFPZGDBIUWDX-CYBMUJFWSA-N 2 1 314.424 3.102 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2C)CC1)CC(C)C ZINC000349408824 434705086 /nfs/dbraw/zinc/70/50/86/434705086.db2.gz QHDLKSHYXOIEEX-UHFFFAOYSA-N 2 1 320.525 3.309 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000371465343 434710719 /nfs/dbraw/zinc/71/07/19/434710719.db2.gz CCTSSAIWQCRONT-XUVXKRRUSA-N 2 1 316.489 3.295 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424376210 434712907 /nfs/dbraw/zinc/71/29/07/434712907.db2.gz KMAUAMWKYKSHGX-INIZCTEOSA-N 2 1 324.472 3.349 20 0 DGADMP CCc1cc(OC)ccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424378066 434713254 /nfs/dbraw/zinc/71/32/54/434713254.db2.gz MUOGZKCISXRLSC-OAHLLOKOSA-N 2 1 302.462 3.222 20 0 DGADMP COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000424372453 434713510 /nfs/dbraw/zinc/71/35/10/434713510.db2.gz HTXPXYVYNNGWLP-RAIGVLPGSA-N 2 1 314.376 3.217 20 0 DGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@]3(C)CC=CCC3)sc2C1 ZINC000459779531 434715278 /nfs/dbraw/zinc/71/52/78/434715278.db2.gz ZYGYCUYEUFLREE-KRWDZBQOSA-N 2 1 305.491 3.498 20 0 DGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@]3(C)CC=CCC3)sc2C1 ZINC000459779531 434715282 /nfs/dbraw/zinc/71/52/82/434715282.db2.gz ZYGYCUYEUFLREE-KRWDZBQOSA-N 2 1 305.491 3.498 20 0 DGADMP CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424383299 434716968 /nfs/dbraw/zinc/71/69/68/434716968.db2.gz TZEQZURSGWYZGP-CQSZACIVSA-N 2 1 306.425 3.188 20 0 DGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782663 434718749 /nfs/dbraw/zinc/71/87/49/434718749.db2.gz MTPVPVSFOYWWHP-WSTZPKSXSA-N 3 1 321.553 3.351 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459791105 434721196 /nfs/dbraw/zinc/72/11/96/434721196.db2.gz HLEHVZCOKVAYQH-VNQPRFMTSA-N 2 1 307.482 3.399 20 0 DGADMP OC[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411170498 434735743 /nfs/dbraw/zinc/73/57/43/434735743.db2.gz XHHCJZPVFMVSGM-IBGZPJMESA-N 2 1 302.462 3.019 20 0 DGADMP CC[C@H]1COCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411273839 434755963 /nfs/dbraw/zinc/75/59/63/434755963.db2.gz OWNONSSLHKMVPY-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H]1COCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411273839 434755968 /nfs/dbraw/zinc/75/59/68/434755968.db2.gz OWNONSSLHKMVPY-IBGZPJMESA-N 2 1 302.462 3.283 20 0 DGADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248618 434757552 /nfs/dbraw/zinc/75/75/52/434757552.db2.gz XVFXEZFWOFSHMT-YTQUADARSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248618 434757558 /nfs/dbraw/zinc/75/75/58/434757558.db2.gz XVFXEZFWOFSHMT-YTQUADARSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248618 434757567 /nfs/dbraw/zinc/75/75/67/434757567.db2.gz XVFXEZFWOFSHMT-YTQUADARSA-N 2 1 304.478 3.396 20 0 DGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000419248618 434757571 /nfs/dbraw/zinc/75/75/71/434757571.db2.gz XVFXEZFWOFSHMT-YTQUADARSA-N 2 1 304.478 3.396 20 0 DGADMP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317464 434760634 /nfs/dbraw/zinc/76/06/34/434760634.db2.gz YMKYVFBSIURREN-SNRMKQJTSA-N 2 1 302.437 3.489 20 0 DGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000411317464 434760637 /nfs/dbraw/zinc/76/06/37/434760637.db2.gz YMKYVFBSIURREN-SNRMKQJTSA-N 2 1 302.437 3.489 20 0 DGADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)OC ZINC000419270078 434761024 /nfs/dbraw/zinc/76/10/24/434761024.db2.gz CRIOQYJOOVYZBU-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OC ZINC000419270078 434761032 /nfs/dbraw/zinc/76/10/32/434761032.db2.gz CRIOQYJOOVYZBU-MOPGFXCFSA-N 2 1 302.462 3.009 20 0 DGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCOC1 ZINC000411319105 434762133 /nfs/dbraw/zinc/76/21/33/434762133.db2.gz AIMAOMWZPRLIIS-LJQANCHMSA-N 2 1 302.462 3.141 20 0 DGADMP CO[C@H](CC(C)C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419286582 434765375 /nfs/dbraw/zinc/76/53/75/434765375.db2.gz FQKIECFWFVUSJQ-GOSISDBHSA-N 2 1 319.493 3.460 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000411394517 434772932 /nfs/dbraw/zinc/77/29/32/434772932.db2.gz BVYPRYHDEGYSKT-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOCC23CCC3)c1 ZINC000411394517 434772936 /nfs/dbraw/zinc/77/29/36/434772936.db2.gz BVYPRYHDEGYSKT-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000361034484 434775115 /nfs/dbraw/zinc/77/51/15/434775115.db2.gz XJOALFYBLYNAOM-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000361034484 434775117 /nfs/dbraw/zinc/77/51/17/434775117.db2.gz XJOALFYBLYNAOM-XLIONFOSSA-N 2 1 316.489 3.303 20 0 DGADMP CC(CC[NH+](C)[C@H]1CCSC1)CC[N@@H+](C)[C@H]1CCSC1 ZINC000411409593 434775810 /nfs/dbraw/zinc/77/58/10/434775810.db2.gz TWMSPHMCKVLHQA-HOTGVXAUSA-N 2 1 316.580 3.277 20 0 DGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[C@H]1O ZINC000411406630 434776814 /nfs/dbraw/zinc/77/68/14/434776814.db2.gz JSUATBYIQSJZFB-WOJBJXKFSA-N 2 1 316.489 3.265 20 0 DGADMP CC[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000444598069 434787035 /nfs/dbraw/zinc/78/70/35/434787035.db2.gz PFAKTDHPTLKPKO-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444598069 434787037 /nfs/dbraw/zinc/78/70/37/434787037.db2.gz PFAKTDHPTLKPKO-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CC[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000444598069 434787039 /nfs/dbraw/zinc/78/70/39/434787039.db2.gz PFAKTDHPTLKPKO-VQTJNVASSA-N 2 1 316.489 3.136 20 0 DGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453063825 434788982 /nfs/dbraw/zinc/78/89/82/434788982.db2.gz VVQJWLHXJZPPHF-XUVXKRRUSA-N 2 1 316.489 3.446 20 0 DGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccsc1 ZINC000453070074 434790183 /nfs/dbraw/zinc/79/01/83/434790183.db2.gz ZVABKFNVMIQLCS-QGZVFWFLSA-N 2 1 309.523 3.207 20 0 DGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)CC1 ZINC000453069999 434791562 /nfs/dbraw/zinc/79/15/62/434791562.db2.gz LCJFZPKTIXEWOJ-IBGZPJMESA-N 2 1 324.472 3.350 20 0 DGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453080448 434794391 /nfs/dbraw/zinc/79/43/91/434794391.db2.gz AXYVNIPTUYPDNN-GSEOLPGOSA-N 2 1 316.489 3.444 20 0 DGADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccncc1 ZINC000453114756 434805684 /nfs/dbraw/zinc/80/56/84/434805684.db2.gz HBVNYRRGPXLOQW-SFHVURJKSA-N 2 1 310.445 3.495 20 0 DGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453120356 434806566 /nfs/dbraw/zinc/80/65/66/434806566.db2.gz WREFOMYJSXSQRR-ZMSDIMECSA-N 2 1 322.518 3.369 20 0 DGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453128308 434809149 /nfs/dbraw/zinc/80/91/49/434809149.db2.gz SHVLKIFAJAIQEZ-YSTOQKLRSA-N 2 1 316.489 3.036 20 0 DGADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453136465 434811384 /nfs/dbraw/zinc/81/13/84/434811384.db2.gz XFIGXUJPQMQZPF-IYWMVGAKSA-N 2 1 316.489 3.180 20 0 DGADMP c1cc2c(s1)CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361173589 434821095 /nfs/dbraw/zinc/82/10/95/434821095.db2.gz JHVBBYYSXNAZHF-INIZCTEOSA-N 2 1 320.502 3.360 20 0 DGADMP CC[C@H](C)[N@@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411734399 434822948 /nfs/dbraw/zinc/82/29/48/434822948.db2.gz BANXPXKWMVNNSG-KRWDZBQOSA-N 2 1 304.478 3.265 20 0 DGADMP C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411735505 434823444 /nfs/dbraw/zinc/82/34/44/434823444.db2.gz JTCAWYOQJVESLX-PXNSSMCTSA-N 2 1 316.489 3.265 20 0 DGADMP C[C@@H]([N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)O ZINC000411778494 434828092 /nfs/dbraw/zinc/82/80/92/434828092.db2.gz CAEAQXCDVLVCOM-MRXNPFEDSA-N 2 1 304.478 3.264 20 0 DGADMP C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411793275 434830810 /nfs/dbraw/zinc/83/08/10/434830810.db2.gz ILLCEEBVURHDIS-VQIMIIECSA-N 2 1 302.462 3.018 20 0 DGADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453222573 434833464 /nfs/dbraw/zinc/83/34/64/434833464.db2.gz QONSIFNNRJDVHQ-FFGOWVMKSA-N 2 1 316.489 3.180 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCO3)[C@H]3CCC[C@H]32)cc1 ZINC000453284996 434849338 /nfs/dbraw/zinc/84/93/38/434849338.db2.gz NQBQKPDMILGTDQ-YSTOQKLRSA-N 2 1 314.473 3.198 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000573112528 434875710 /nfs/dbraw/zinc/87/57/10/434875710.db2.gz CSBPDVWFWZDCEL-ROUUACIJSA-N 2 1 306.498 3.008 20 0 DGADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000573127174 434876572 /nfs/dbraw/zinc/87/65/72/434876572.db2.gz VLUJZASYTBDFNL-VQTJNVASSA-N 2 1 315.505 3.288 20 0 DGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000521281336 434878995 /nfs/dbraw/zinc/87/89/95/434878995.db2.gz NDVDALHSJDXCFQ-OALUTQOASA-N 2 1 318.509 3.294 20 0 DGADMP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000521436291 434883181 /nfs/dbraw/zinc/88/31/81/434883181.db2.gz RLGZLBPUHHYXRK-ZWKOTPCHSA-N 2 1 302.462 3.153 20 0 DGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000521436291 434883183 /nfs/dbraw/zinc/88/31/83/434883183.db2.gz RLGZLBPUHHYXRK-ZWKOTPCHSA-N 2 1 302.462 3.153 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000521597329 434889406 /nfs/dbraw/zinc/88/94/06/434889406.db2.gz YBWQGJSMPIDFMF-KBAYOESNSA-N 2 1 302.462 3.164 20 0 DGADMP CSc1ccc([C@H](CNCc2nc(C)c(C)[nH]2)[NH+](C)C)cc1 ZINC000521669031 434892472 /nfs/dbraw/zinc/89/24/72/434892472.db2.gz RUQBPKCGDVLQKK-INIZCTEOSA-N 2 1 318.490 3.141 20 0 DGADMP C[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CCC[NH+](C)C1 ZINC000637930141 434909700 /nfs/dbraw/zinc/90/97/00/434909700.db2.gz KWWZVGGNWYTXQD-ZDUSSCGKSA-N 2 1 319.399 3.287 20 0 DGADMP C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CCC[NH+](C)C1 ZINC000637930141 434909705 /nfs/dbraw/zinc/90/97/05/434909705.db2.gz KWWZVGGNWYTXQD-ZDUSSCGKSA-N 2 1 319.399 3.287 20 0 DGADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CCC[N@H+](C)C1 ZINC000637930141 434909708 /nfs/dbraw/zinc/90/97/08/434909708.db2.gz KWWZVGGNWYTXQD-ZDUSSCGKSA-N 2 1 319.399 3.287 20 0 DGADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930141 434909712 /nfs/dbraw/zinc/90/97/12/434909712.db2.gz KWWZVGGNWYTXQD-ZDUSSCGKSA-N 2 1 319.399 3.287 20 0 DGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462411090 434912073 /nfs/dbraw/zinc/91/20/73/434912073.db2.gz POLXCDYMAWOFNU-LJQANCHMSA-N 2 1 302.462 3.048 20 0 DGADMP COc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000573077040 434872687 /nfs/dbraw/zinc/87/26/87/434872687.db2.gz UKOLHHVGNFQSQZ-UHFFFAOYSA-N 2 1 300.446 3.148 20 0 DGADMP c1ccc2sc([C@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000573095174 434874097 /nfs/dbraw/zinc/87/40/97/434874097.db2.gz YZOBQYIMQIOJRP-GJZGRUSLSA-N 2 1 315.486 3.475 20 0 DGADMP c1ccc2sc([C@@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000573095176 434874282 /nfs/dbraw/zinc/87/42/82/434874282.db2.gz YZOBQYIMQIOJRP-LSDHHAIUSA-N 2 1 315.486 3.475 20 0 DGADMP CC[C@@](C)(C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000638031013 434937411 /nfs/dbraw/zinc/93/74/11/434937411.db2.gz MBLUTPPZLZYGIC-IBGZPJMESA-N 2 1 304.478 3.398 20 0 DGADMP CC[C@@](C)(C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000638031013 434937415 /nfs/dbraw/zinc/93/74/15/434937415.db2.gz MBLUTPPZLZYGIC-IBGZPJMESA-N 2 1 304.478 3.398 20 0 DGADMP C[N@H+](CCC[C@H]1CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638030780 434938272 /nfs/dbraw/zinc/93/82/72/434938272.db2.gz LFHYAYXKQSUCJQ-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP C[N@@H+](CCC[C@H]1CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638030780 434938275 /nfs/dbraw/zinc/93/82/75/434938275.db2.gz LFHYAYXKQSUCJQ-IBGZPJMESA-N 2 1 302.462 3.152 20 0 DGADMP CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998363 434941921 /nfs/dbraw/zinc/94/19/21/434941921.db2.gz RKMAWRIVEMXVSG-GOEBONIOSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@@H](O)C[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998363 434941927 /nfs/dbraw/zinc/94/19/27/434941927.db2.gz RKMAWRIVEMXVSG-GOEBONIOSA-N 2 1 304.434 3.128 20 0 DGADMP CCN(C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998363 434941929 /nfs/dbraw/zinc/94/19/29/434941929.db2.gz RKMAWRIVEMXVSG-GOEBONIOSA-N 2 1 304.434 3.128 20 0 DGADMP CCCC[C@@H](COC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463130400 434946357 /nfs/dbraw/zinc/94/63/57/434946357.db2.gz VTEUKCFMHHNEHE-FQEVSTJZSA-N 2 1 318.505 3.488 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463127367 434947053 /nfs/dbraw/zinc/94/70/53/434947053.db2.gz NAEGROZHUWZPPO-QRQLOZEOSA-N 2 1 318.505 3.426 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463127367 434947056 /nfs/dbraw/zinc/94/70/56/434947056.db2.gz NAEGROZHUWZPPO-QRQLOZEOSA-N 2 1 318.505 3.426 20 0 DGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000523554615 434954586 /nfs/dbraw/zinc/95/45/86/434954586.db2.gz ZKJJEGJKWJJWLF-LJQANCHMSA-N 2 1 316.489 3.490 20 0 DGADMP CC[N@@H+](CCC[C@H]1CCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638139797 434961521 /nfs/dbraw/zinc/96/15/21/434961521.db2.gz OZPDMYAEQYMOCW-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@H]1CCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139797 434961524 /nfs/dbraw/zinc/96/15/24/434961524.db2.gz OZPDMYAEQYMOCW-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@H]1CCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139797 434961528 /nfs/dbraw/zinc/96/15/28/434961528.db2.gz OZPDMYAEQYMOCW-PMACEKPBSA-N 2 1 316.489 3.400 20 0 DGADMP CC[N@@H+](CCC[C@@H]1CCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638139817 434961859 /nfs/dbraw/zinc/96/18/59/434961859.db2.gz OZPDMYAEQYMOCW-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@@H]1CCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139817 434961863 /nfs/dbraw/zinc/96/18/63/434961863.db2.gz OZPDMYAEQYMOCW-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP CC[NH+](CCC[C@@H]1CCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139817 434961868 /nfs/dbraw/zinc/96/18/68/434961868.db2.gz OZPDMYAEQYMOCW-WOJBJXKFSA-N 2 1 316.489 3.400 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000574256161 434963514 /nfs/dbraw/zinc/96/35/14/434963514.db2.gz LIAXIFUWNAHDIJ-FRQCXROJSA-N 2 1 320.452 3.225 20 0 DGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000555332628 434969817 /nfs/dbraw/zinc/96/98/17/434969817.db2.gz GYANQAMPPJUTLC-LBPRGKRZSA-N 2 1 309.360 3.223 20 0 DGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798670 434929405 /nfs/dbraw/zinc/92/94/05/434929405.db2.gz MDAVNXSZANDSMY-RHSMWYFYSA-N 2 1 318.461 3.072 20 0 DGADMP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000638449401 435033607 /nfs/dbraw/zinc/03/36/07/435033607.db2.gz PSBDSTIUWXMSGB-ICSRJNTNSA-N 2 1 316.489 3.303 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638400508 435022609 /nfs/dbraw/zinc/02/26/09/435022609.db2.gz QUEPIFVPFFSMSY-KPFFTGBYSA-N 2 1 314.473 3.371 20 0 DGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638400508 435022613 /nfs/dbraw/zinc/02/26/13/435022613.db2.gz QUEPIFVPFFSMSY-KPFFTGBYSA-N 2 1 314.473 3.371 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CC1(F)F ZINC000638421648 435027221 /nfs/dbraw/zinc/02/72/21/435027221.db2.gz XNTJEGYTCIKFQH-JKIFEVAISA-N 2 1 324.415 3.041 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CC1(F)F ZINC000638421648 435027225 /nfs/dbraw/zinc/02/72/25/435027225.db2.gz XNTJEGYTCIKFQH-JKIFEVAISA-N 2 1 324.415 3.041 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CC2(F)F)cc1F ZINC000638418565 435027647 /nfs/dbraw/zinc/02/76/47/435027647.db2.gz BOKSUZBDRGQJKB-MFKMUULPSA-N 2 1 309.335 3.453 20 0 DGADMP Cc1cnc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000638447062 435032182 /nfs/dbraw/zinc/03/21/82/435032182.db2.gz AUMAIIGWHNDLCK-CQSZACIVSA-N 2 1 305.447 3.046 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000556051491 434992437 /nfs/dbraw/zinc/99/24/37/434992437.db2.gz ZLNCUBXQONFJQX-ICSRJNTNSA-N 2 1 310.441 3.491 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000556051491 434992442 /nfs/dbraw/zinc/99/24/42/434992442.db2.gz ZLNCUBXQONFJQX-ICSRJNTNSA-N 2 1 310.441 3.491 20 0 DGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556857850 435033019 /nfs/dbraw/zinc/03/30/19/435033019.db2.gz IJFRKVGZKWOGSL-KBPBESRZSA-N 2 1 308.416 3.360 20 0 DGADMP Cc1cc(C)cc(OCCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000524980137 435000715 /nfs/dbraw/zinc/00/07/15/435000715.db2.gz MCNZHNSLRUUHQC-GOSISDBHSA-N 2 1 304.478 3.346 20 0 DGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000464791184 435002592 /nfs/dbraw/zinc/00/25/92/435002592.db2.gz SRUFYUWRYMKSGS-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000464791184 435002595 /nfs/dbraw/zinc/00/25/95/435002595.db2.gz SRUFYUWRYMKSGS-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464791184 435002597 /nfs/dbraw/zinc/00/25/97/435002597.db2.gz SRUFYUWRYMKSGS-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464791184 435002600 /nfs/dbraw/zinc/00/26/00/435002600.db2.gz SRUFYUWRYMKSGS-KRWDZBQOSA-N 2 1 312.457 3.492 20 0 DGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC(C)(C)Oc1ccccc1 ZINC000638335805 435006416 /nfs/dbraw/zinc/00/64/16/435006416.db2.gz UWUDNNXLUNHNSI-HNNXBMFYSA-N 2 1 301.434 3.275 20 0 DGADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CCCC2)CC1 ZINC000638636616 435063295 /nfs/dbraw/zinc/06/32/95/435063295.db2.gz FCMFXTYZZMPJEA-FGTMMUONSA-N 2 1 320.521 3.436 20 0 DGADMP CC(C)n1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000557694979 435063669 /nfs/dbraw/zinc/06/36/69/435063669.db2.gz XDOFBDDRGXSXAS-HKUYNNGSSA-N 2 1 312.461 3.389 20 0 DGADMP O[C@@]1(C[NH2+]CC2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000531011821 435066131 /nfs/dbraw/zinc/06/61/31/435066131.db2.gz KODRFXIKAAFBCI-HXUWFJFHSA-N 2 1 316.489 3.183 20 0 DGADMP O[C@@]1(C[NH2+]CC2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531011821 435066133 /nfs/dbraw/zinc/06/61/33/435066133.db2.gz KODRFXIKAAFBCI-HXUWFJFHSA-N 2 1 316.489 3.183 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638672706 435067719 /nfs/dbraw/zinc/06/77/19/435067719.db2.gz HXSSLSYTOZMOCG-ZHALLVOQSA-N 2 1 302.462 3.369 20 0 DGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638672706 435067723 /nfs/dbraw/zinc/06/77/23/435067723.db2.gz HXSSLSYTOZMOCG-ZHALLVOQSA-N 2 1 302.462 3.369 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638688459 435068876 /nfs/dbraw/zinc/06/88/76/435068876.db2.gz FZIYESAQLUMIMX-HOJAQTOUSA-N 2 1 316.489 3.351 20 0 DGADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638688459 435068879 /nfs/dbraw/zinc/06/88/79/435068879.db2.gz FZIYESAQLUMIMX-HOJAQTOUSA-N 2 1 316.489 3.351 20 0 DGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000466347688 435071671 /nfs/dbraw/zinc/07/16/71/435071671.db2.gz SPPKXKDUTQMARQ-WCIQWLHISA-N 2 1 320.521 3.436 20 0 DGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000466347688 435071674 /nfs/dbraw/zinc/07/16/74/435071674.db2.gz SPPKXKDUTQMARQ-WCIQWLHISA-N 2 1 320.521 3.436 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719439 435075929 /nfs/dbraw/zinc/07/59/29/435075929.db2.gz PTFLXYGWQAKMNE-ACAXCVFMSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000638719439 435075934 /nfs/dbraw/zinc/07/59/34/435075934.db2.gz PTFLXYGWQAKMNE-ACAXCVFMSA-N 2 1 324.472 3.087 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638721842 435076986 /nfs/dbraw/zinc/07/69/86/435076986.db2.gz OALMIXFIYHLKBK-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638721842 435076987 /nfs/dbraw/zinc/07/69/87/435076987.db2.gz OALMIXFIYHLKBK-BHIYHBOVSA-N 2 1 302.462 3.198 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000638726059 435078252 /nfs/dbraw/zinc/07/82/52/435078252.db2.gz NPVUDBRCFRWZML-UHFFFAOYSA-N 2 1 304.478 3.017 20 0 DGADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765970 435086168 /nfs/dbraw/zinc/08/61/68/435086168.db2.gz MSRZSCCPWAPEQF-WDSOQIARSA-N 2 1 302.462 3.105 20 0 DGADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765970 435086172 /nfs/dbraw/zinc/08/61/72/435086172.db2.gz MSRZSCCPWAPEQF-WDSOQIARSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765089 435087033 /nfs/dbraw/zinc/08/70/33/435087033.db2.gz JLZOOBDSHZEREE-SUMDDJOVSA-N 2 1 302.462 3.105 20 0 DGADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638765089 435087039 /nfs/dbraw/zinc/08/70/39/435087039.db2.gz JLZOOBDSHZEREE-SUMDDJOVSA-N 2 1 302.462 3.105 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638798163 435089152 /nfs/dbraw/zinc/08/91/52/435089152.db2.gz BYLKHQQTXJAOBQ-QGZVKYPTSA-N 2 1 314.473 3.248 20 0 DGADMP O[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638798163 435089157 /nfs/dbraw/zinc/08/91/57/435089157.db2.gz BYLKHQQTXJAOBQ-QGZVKYPTSA-N 2 1 314.473 3.248 20 0 DGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)[C@H](C)Cc1ccsc1 ZINC000558417395 435089563 /nfs/dbraw/zinc/08/95/63/435089563.db2.gz BBCUCYNWGYTUCK-AEFFLSMTSA-N 2 1 323.550 3.027 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000638448589 435034137 /nfs/dbraw/zinc/03/41/37/435034137.db2.gz VCJHPFBBRWUMQE-DOTOQJQBSA-N 2 1 310.507 3.365 20 0 DGADMP CC[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)OC ZINC000638448589 435034142 /nfs/dbraw/zinc/03/41/42/435034142.db2.gz VCJHPFBBRWUMQE-DOTOQJQBSA-N 2 1 310.507 3.365 20 0 DGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000556884660 435034131 /nfs/dbraw/zinc/03/41/31/435034131.db2.gz LROXVACSOPPWFC-RYQLBKOJSA-N 2 1 324.415 3.339 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)sn1 ZINC000638522012 435045882 /nfs/dbraw/zinc/04/58/82/435045882.db2.gz UIBOMQKHHNADOI-QGZVFWFLSA-N 2 1 315.486 3.106 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)sn1 ZINC000638522012 435045884 /nfs/dbraw/zinc/04/58/84/435045884.db2.gz UIBOMQKHHNADOI-QGZVFWFLSA-N 2 1 315.486 3.106 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000557395445 435050801 /nfs/dbraw/zinc/05/08/01/435050801.db2.gz YHGUIJRCNPQJIF-LCWAXJCOSA-N 2 1 314.473 3.227 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000558506279 435094068 /nfs/dbraw/zinc/09/40/68/435094068.db2.gz XRROMBKPCFRXDM-YQVWRLOYSA-N 2 1 309.542 3.348 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC[N@H+]1C ZINC000558507181 435095581 /nfs/dbraw/zinc/09/55/81/435095581.db2.gz HVYBXKMQYIWLEN-FVQBIDKESA-N 2 1 314.395 3.480 20 0 DGADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000578617074 435096249 /nfs/dbraw/zinc/09/62/49/435096249.db2.gz RVCJRRYCQKIMFB-AQNXPRMDSA-N 2 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000578617074 435096252 /nfs/dbraw/zinc/09/62/52/435096252.db2.gz RVCJRRYCQKIMFB-AQNXPRMDSA-N 3 1 315.505 3.019 20 0 DGADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000578617074 435096258 /nfs/dbraw/zinc/09/62/58/435096258.db2.gz RVCJRRYCQKIMFB-AQNXPRMDSA-N 3 1 315.505 3.019 20 0 DGADMP COc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000638851259 435104904 /nfs/dbraw/zinc/10/49/04/435104904.db2.gz YTCBGDRXZJEYTR-UHFFFAOYSA-N 2 1 317.458 3.037 20 0 DGADMP CCCC(CCC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532230905 435149540 /nfs/dbraw/zinc/14/95/40/435149540.db2.gz YWTBGWBVFCFXNK-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP CCCC(CCC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532230905 435149544 /nfs/dbraw/zinc/14/95/44/435149544.db2.gz YWTBGWBVFCFXNK-IBGZPJMESA-N 2 1 304.478 3.182 20 0 DGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676759 435109590 /nfs/dbraw/zinc/10/95/90/435109590.db2.gz DXIYLNYBIIWHBX-IOASZLSFSA-N 2 1 312.404 3.149 20 0 DGADMP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000531788792 435118907 /nfs/dbraw/zinc/11/89/07/435118907.db2.gz JMKDMUGOBTYFNW-ZDUSSCGKSA-N 2 1 303.837 3.452 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000531788792 435118913 /nfs/dbraw/zinc/11/89/13/435118913.db2.gz JMKDMUGOBTYFNW-ZDUSSCGKSA-N 2 1 303.837 3.452 20 0 DGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392374 435120398 /nfs/dbraw/zinc/12/03/98/435120398.db2.gz VKMUEDRCKOSTER-MSOLQXFVSA-N 2 1 322.880 3.228 20 0 DGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467392374 435120401 /nfs/dbraw/zinc/12/04/01/435120401.db2.gz VKMUEDRCKOSTER-MSOLQXFVSA-N 2 1 322.880 3.228 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559788958 435138553 /nfs/dbraw/zinc/13/85/53/435138553.db2.gz KMILBGXQTGCILA-CSFFLVESSA-N 2 1 302.462 3.368 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559788958 435138555 /nfs/dbraw/zinc/13/85/55/435138555.db2.gz KMILBGXQTGCILA-CSFFLVESSA-N 2 1 302.462 3.368 20 0 DGADMP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000559893576 435141087 /nfs/dbraw/zinc/14/10/87/435141087.db2.gz HBUJIKJANYNWOY-BBWFWOEESA-N 2 1 319.493 3.499 20 0 DGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000579246222 435141665 /nfs/dbraw/zinc/14/16/65/435141665.db2.gz XIJINYLIOVZLJA-GOEBONIOSA-N 2 1 306.450 3.042 20 0 DGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000579246222 435141669 /nfs/dbraw/zinc/14/16/69/435141669.db2.gz XIJINYLIOVZLJA-GOEBONIOSA-N 2 1 306.450 3.042 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000532187241 435146070 /nfs/dbraw/zinc/14/60/70/435146070.db2.gz UEZLOPDURKUKIL-CJNGLKHVSA-N 2 1 312.404 3.150 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]CC2(O)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000580063976 435201839 /nfs/dbraw/zinc/20/18/39/435201839.db2.gz DJOGNXJZULASDG-HKUYNNGSSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639221153 435202652 /nfs/dbraw/zinc/20/26/52/435202652.db2.gz MELANRZIEKDYCX-IEBWSBKVSA-N 2 1 316.489 3.353 20 0 DGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639221153 435202656 /nfs/dbraw/zinc/20/26/56/435202656.db2.gz MELANRZIEKDYCX-IEBWSBKVSA-N 2 1 316.489 3.353 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639221805 435203133 /nfs/dbraw/zinc/20/31/33/435203133.db2.gz FNLVYUKOMDYGFH-MJKGWSOKSA-N 2 1 314.473 3.105 20 0 DGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639221805 435203137 /nfs/dbraw/zinc/20/31/37/435203137.db2.gz FNLVYUKOMDYGFH-MJKGWSOKSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@@H]1CC[N@H+](CCN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240589 435152257 /nfs/dbraw/zinc/15/22/57/435152257.db2.gz DIBVWGLCUZPKFK-WBVHZDCISA-N 2 1 300.446 3.364 20 0 DGADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240589 435152261 /nfs/dbraw/zinc/15/22/61/435152261.db2.gz DIBVWGLCUZPKFK-WBVHZDCISA-N 2 1 300.446 3.364 20 0 DGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000474717408 435157162 /nfs/dbraw/zinc/15/71/62/435157162.db2.gz BULYSWDISIWUQJ-RBUKOAKNSA-N 2 1 309.542 3.064 20 0 DGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000474730354 435159032 /nfs/dbraw/zinc/15/90/32/435159032.db2.gz PFDLNAMNZLWTOV-OTWHNJEPSA-N 2 1 310.526 3.418 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801823 435161241 /nfs/dbraw/zinc/16/12/41/435161241.db2.gz ZMKCXBPDRWOHPC-YLJYHZDGSA-N 2 1 316.489 3.182 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000474801823 435161243 /nfs/dbraw/zinc/16/12/43/435161243.db2.gz ZMKCXBPDRWOHPC-YLJYHZDGSA-N 2 1 316.489 3.182 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591840 435167179 /nfs/dbraw/zinc/16/71/79/435167179.db2.gz QGEAHQYEGQQQDE-OALUTQOASA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579591840 435167182 /nfs/dbraw/zinc/16/71/82/435167182.db2.gz QGEAHQYEGQQQDE-OALUTQOASA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000560547809 435177960 /nfs/dbraw/zinc/17/79/60/435177960.db2.gz CNJKQJRHCYVCPR-GGPKGHCWSA-N 2 1 315.505 3.494 20 0 DGADMP C[N@@H+](CC(C)(C)Oc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639162114 435178431 /nfs/dbraw/zinc/17/84/31/435178431.db2.gz LBOCREYSLDEULG-SJPCQFCGSA-N 2 1 302.462 3.401 20 0 DGADMP C[NH+](CC(C)(C)Oc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639162114 435178435 /nfs/dbraw/zinc/17/84/35/435178435.db2.gz LBOCREYSLDEULG-SJPCQFCGSA-N 2 1 302.462 3.401 20 0 DGADMP C[NH+](CC(C)(C)Oc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639162114 435178441 /nfs/dbraw/zinc/17/84/41/435178441.db2.gz LBOCREYSLDEULG-SJPCQFCGSA-N 2 1 302.462 3.401 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000532640053 435182689 /nfs/dbraw/zinc/18/26/89/435182689.db2.gz KHONEPUYJXSNGP-MJGOQNOKSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000580178299 435210410 /nfs/dbraw/zinc/21/04/10/435210410.db2.gz SEKWMGDZIHCHED-INIZCTEOSA-N 2 1 304.478 3.264 20 0 DGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000580178299 435210414 /nfs/dbraw/zinc/21/04/14/435210414.db2.gz SEKWMGDZIHCHED-INIZCTEOSA-N 2 1 304.478 3.264 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639240330 435211696 /nfs/dbraw/zinc/21/16/96/435211696.db2.gz OSEUWIOTGFCJKD-ONCXSQPRSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639240330 435211697 /nfs/dbraw/zinc/21/16/97/435211697.db2.gz OSEUWIOTGFCJKD-ONCXSQPRSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639250054 435212979 /nfs/dbraw/zinc/21/29/79/435212979.db2.gz OSEUWIOTGFCJKD-LFGUQSLTSA-N 2 1 314.473 3.105 20 0 DGADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639250054 435212985 /nfs/dbraw/zinc/21/29/85/435212985.db2.gz OSEUWIOTGFCJKD-LFGUQSLTSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000533375682 435228929 /nfs/dbraw/zinc/22/89/29/435228929.db2.gz WORCWBGAPDQRFS-ZSYWTGECSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000533375682 435228938 /nfs/dbraw/zinc/22/89/38/435228938.db2.gz WORCWBGAPDQRFS-ZSYWTGECSA-N 2 1 307.526 3.198 20 0 DGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000533375682 435228943 /nfs/dbraw/zinc/22/89/43/435228943.db2.gz WORCWBGAPDQRFS-ZSYWTGECSA-N 2 1 307.526 3.198 20 0 DGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561777317 435234301 /nfs/dbraw/zinc/23/43/01/435234301.db2.gz MWZGRJXWRRIJCZ-NSHGMRRFSA-N 2 1 318.505 3.428 20 0 DGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000561777317 435234305 /nfs/dbraw/zinc/23/43/05/435234305.db2.gz MWZGRJXWRRIJCZ-NSHGMRRFSA-N 2 1 318.505 3.428 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CCO1 ZINC000639334485 435250772 /nfs/dbraw/zinc/25/07/72/435250772.db2.gz DVZJAMWYAMWBEM-VAMGGRTRSA-N 2 1 316.489 3.223 20 0 DGADMP CC(C)O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000639347047 435254762 /nfs/dbraw/zinc/25/47/62/435254762.db2.gz LVQQXZMKFCGXLB-HKUYNNGSSA-N 2 1 304.478 3.474 20 0 DGADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256900 /nfs/dbraw/zinc/25/69/00/435256900.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 2 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256906 /nfs/dbraw/zinc/25/69/06/435256906.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256910 /nfs/dbraw/zinc/25/69/10/435256910.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256913 /nfs/dbraw/zinc/25/69/13/435256913.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256917 /nfs/dbraw/zinc/25/69/17/435256917.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 1 315.505 3.143 20 0 DGADMP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000639338272 435252653 /nfs/dbraw/zinc/25/26/53/435252653.db2.gz SJDFNKYUWYAQHN-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000639338272 435252658 /nfs/dbraw/zinc/25/26/58/435252658.db2.gz SJDFNKYUWYAQHN-KRWDZBQOSA-N 2 1 302.462 3.215 20 0 DGADMP CC[N@H+](CCC(F)(F)F)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057600 435264615 /nfs/dbraw/zinc/26/46/15/435264615.db2.gz ZPKUCIJXURIGFX-ZDUSSCGKSA-N 2 1 304.356 3.012 20 0 DGADMP CC[N@@H+](CCC(F)(F)F)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057600 435264618 /nfs/dbraw/zinc/26/46/18/435264618.db2.gz ZPKUCIJXURIGFX-ZDUSSCGKSA-N 2 1 304.356 3.012 20 0 DGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000643076725 435265067 /nfs/dbraw/zinc/26/50/67/435265067.db2.gz HWRJUCDAVOPAFM-ZDUSSCGKSA-N 2 1 318.795 3.419 20 0 DGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000584021350 435265146 /nfs/dbraw/zinc/26/51/46/435265146.db2.gz QBNQLEROJRCWKV-LJQANCHMSA-N 2 1 324.472 3.036 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639362882 435265804 /nfs/dbraw/zinc/26/58/04/435265804.db2.gz LLNWIKRHCDULAU-WSTZPKSXSA-N 2 1 316.489 3.495 20 0 DGADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639362882 435265805 /nfs/dbraw/zinc/26/58/05/435265805.db2.gz LLNWIKRHCDULAU-WSTZPKSXSA-N 2 1 316.489 3.495 20 0 DGADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374142 435272253 /nfs/dbraw/zinc/27/22/53/435272253.db2.gz BDZMOQYKQHNJLM-LJQANCHMSA-N 2 1 316.489 3.194 20 0 DGADMP CC[C@@H]1C[NH+](CCCC[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000534275546 435276033 /nfs/dbraw/zinc/27/60/33/435276033.db2.gz QBSJUTRZPAONCI-HZPDHXFCSA-N 2 1 316.580 3.421 20 0 DGADMP Cc1nccn1CCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000534317113 435279786 /nfs/dbraw/zinc/27/97/86/435279786.db2.gz OIAMWEXTGWJFEH-UHFFFAOYSA-N 2 1 306.498 3.024 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534317113 435279790 /nfs/dbraw/zinc/27/97/90/435279790.db2.gz OIAMWEXTGWJFEH-UHFFFAOYSA-N 3 1 306.498 3.024 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000534317113 435279796 /nfs/dbraw/zinc/27/97/96/435279796.db2.gz OIAMWEXTGWJFEH-UHFFFAOYSA-N 3 1 306.498 3.024 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000477910054 435284083 /nfs/dbraw/zinc/28/40/83/435284083.db2.gz DPPPXHAXJZAOAY-OAHLLOKOSA-N 2 1 320.477 3.476 20 0 DGADMP CCC[N@H+]1CC[C@@H](CNCc2cc3cc(Cl)cnc3o2)C1 ZINC000648433231 435297329 /nfs/dbraw/zinc/29/73/29/435297329.db2.gz PZTFDYUZKMJMAW-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648433231 435297331 /nfs/dbraw/zinc/29/73/31/435297331.db2.gz PZTFDYUZKMJMAW-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648433231 435297338 /nfs/dbraw/zinc/29/73/38/435297338.db2.gz PZTFDYUZKMJMAW-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC000639358944 435263545 /nfs/dbraw/zinc/26/35/45/435263545.db2.gz GGANWJHHLJMUKY-FXAWDEMLSA-N 2 1 316.489 3.161 20 0 DGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000639497969 435322705 /nfs/dbraw/zinc/32/27/05/435322705.db2.gz PKGDMOXZCHVGKQ-GOSISDBHSA-N 2 1 301.478 3.315 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000639497969 435322709 /nfs/dbraw/zinc/32/27/09/435322709.db2.gz PKGDMOXZCHVGKQ-GOSISDBHSA-N 2 1 301.478 3.315 20 0 DGADMP COc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2ccccc21 ZINC000639509841 435324866 /nfs/dbraw/zinc/32/48/66/435324866.db2.gz ODUOOGNWSAVXDY-ZBFHGGJFSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2ccccc21 ZINC000639509841 435324871 /nfs/dbraw/zinc/32/48/71/435324871.db2.gz ODUOOGNWSAVXDY-ZBFHGGJFSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000639509841 435324872 /nfs/dbraw/zinc/32/48/72/435324872.db2.gz ODUOOGNWSAVXDY-ZBFHGGJFSA-N 2 1 313.445 3.158 20 0 DGADMP COc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000639509841 435324876 /nfs/dbraw/zinc/32/48/76/435324876.db2.gz ODUOOGNWSAVXDY-ZBFHGGJFSA-N 2 1 313.445 3.158 20 0 DGADMP C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000643456545 435327009 /nfs/dbraw/zinc/32/70/09/435327009.db2.gz DASFRKJUUYZPMP-LLVKDONJSA-N 2 1 309.335 3.406 20 0 DGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000567582327 435330561 /nfs/dbraw/zinc/33/05/61/435330561.db2.gz BINWXVCPBATYDT-DFQSSKMNSA-N 2 1 316.489 3.005 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000567582327 435330572 /nfs/dbraw/zinc/33/05/72/435330572.db2.gz BINWXVCPBATYDT-DFQSSKMNSA-N 2 1 316.489 3.005 20 0 DGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000511731513 435330518 /nfs/dbraw/zinc/33/05/18/435330518.db2.gz YWYPDKIPVLMKDS-WMZOPIPTSA-N 2 1 304.478 3.423 20 0 DGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000511731513 435330522 /nfs/dbraw/zinc/33/05/22/435330522.db2.gz YWYPDKIPVLMKDS-WMZOPIPTSA-N 2 1 304.478 3.423 20 0 DGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000511737910 435331287 /nfs/dbraw/zinc/33/12/87/435331287.db2.gz NJRZRVPCPMUMCG-AEFFLSMTSA-N 2 1 304.478 3.281 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000479544202 435338860 /nfs/dbraw/zinc/33/88/60/435338860.db2.gz MNLRNMMNRAEEDA-JKSUJKDBSA-N 2 1 310.526 3.395 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1F ZINC000643506927 435339030 /nfs/dbraw/zinc/33/90/30/435339030.db2.gz MUZCLIUBMDDUAC-DOTOQJQBSA-N 2 1 306.425 3.202 20 0 DGADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[NH2+]C1CC1 ZINC000643506516 435340182 /nfs/dbraw/zinc/34/01/82/435340182.db2.gz ZQNDHFQHJGBIQC-GFCCVEGCSA-N 2 1 300.368 3.368 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CCCn1ccnc1 ZINC000639552014 435340942 /nfs/dbraw/zinc/34/09/42/435340942.db2.gz QZDKUKZTKRDJGZ-UHFFFAOYSA-N 2 1 310.401 3.369 20 0 DGADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000479695859 435348177 /nfs/dbraw/zinc/34/81/77/435348177.db2.gz YPKPIKINTSJVPO-MRXNPFEDSA-N 2 1 304.478 3.338 20 0 DGADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546972 435349006 /nfs/dbraw/zinc/34/90/06/435349006.db2.gz XQWMZGAHVHBMTG-KGLIPLIRSA-N 2 1 304.434 3.029 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(-c2ccccc2)nn1C ZINC000643548553 435349016 /nfs/dbraw/zinc/34/90/16/435349016.db2.gz QSQBCQCBSXFZJC-RDJZCZTQSA-N 2 1 324.472 3.412 20 0 DGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546771 435350267 /nfs/dbraw/zinc/35/02/67/435350267.db2.gz UPDKWBCCBZTUSO-RDJZCZTQSA-N 2 1 300.446 3.473 20 0 DGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548895 435352062 /nfs/dbraw/zinc/35/20/62/435352062.db2.gz XBUJLUZXBOTWSH-GDBMZVCRSA-N 2 1 304.409 3.304 20 0 DGADMP CC[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000535806249 435352573 /nfs/dbraw/zinc/35/25/73/435352573.db2.gz MOSQRMATFSBQHK-BTHPGYMESA-N 2 1 316.489 3.364 20 0 DGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587605 435352908 /nfs/dbraw/zinc/35/29/08/435352908.db2.gz SDEGNHMRCNXMSZ-NHYWBVRUSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587605 435352911 /nfs/dbraw/zinc/35/29/11/435352911.db2.gz SDEGNHMRCNXMSZ-NHYWBVRUSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587605 435352915 /nfs/dbraw/zinc/35/29/15/435352915.db2.gz SDEGNHMRCNXMSZ-NHYWBVRUSA-N 2 1 307.825 3.253 20 0 DGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648587605 435352920 /nfs/dbraw/zinc/35/29/20/435352920.db2.gz SDEGNHMRCNXMSZ-NHYWBVRUSA-N 2 1 307.825 3.253 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567853797 435363752 /nfs/dbraw/zinc/36/37/52/435363752.db2.gz OPMBFGSXWKYOGK-FHWLQOOXSA-N 2 1 316.489 3.323 20 0 DGADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567853797 435363757 /nfs/dbraw/zinc/36/37/57/435363757.db2.gz OPMBFGSXWKYOGK-FHWLQOOXSA-N 2 1 316.489 3.323 20 0 DGADMP Cc1ccc2ncc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cc2c1 ZINC000639755886 435408468 /nfs/dbraw/zinc/40/84/68/435408468.db2.gz QFUYKLZHMXPKIB-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP COc1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758933 435408677 /nfs/dbraw/zinc/40/86/77/435408677.db2.gz YISUENOYARVPOM-UHFFFAOYSA-N 2 1 308.853 3.266 20 0 DGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000639756901 435409457 /nfs/dbraw/zinc/40/94/57/435409457.db2.gz ABKROFMNQQNTDR-UHFFFAOYSA-N 2 1 310.388 3.206 20 0 DGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758232 435409844 /nfs/dbraw/zinc/40/98/44/435409844.db2.gz RCGPSCXFTGXWEX-CQSZACIVSA-N 2 1 323.506 3.158 20 0 DGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758232 435409851 /nfs/dbraw/zinc/40/98/51/435409851.db2.gz RCGPSCXFTGXWEX-CQSZACIVSA-N 2 1 323.506 3.158 20 0 DGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c2ccccc2n1 ZINC000639757360 435410286 /nfs/dbraw/zinc/41/02/86/435410286.db2.gz HAMNEKJRJGLEOC-UHFFFAOYSA-N 2 1 309.457 3.461 20 0 DGADMP C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000568237821 435410946 /nfs/dbraw/zinc/41/09/46/435410946.db2.gz HBOWKCTWYABZBS-PBHICJAKSA-N 2 1 317.433 3.294 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568236303 435412156 /nfs/dbraw/zinc/41/21/56/435412156.db2.gz HHKRUOVNJJHDSW-VDZJLULYSA-N 2 1 324.472 3.346 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568236303 435412161 /nfs/dbraw/zinc/41/21/61/435412161.db2.gz HHKRUOVNJJHDSW-VDZJLULYSA-N 2 1 324.472 3.346 20 0 DGADMP c1cnc2nc([C@H]3CC[N@H+](CCC[NH+]4CCCCC4)C3)ccc2c1 ZINC000639791843 435419141 /nfs/dbraw/zinc/41/91/41/435419141.db2.gz MHIRLJDLHSCVSS-SFHVURJKSA-N 2 1 324.472 3.295 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000639630249 435371822 /nfs/dbraw/zinc/37/18/22/435371822.db2.gz UGCNMPFAFYPYSL-WDSOQIARSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000639630249 435371829 /nfs/dbraw/zinc/37/18/29/435371829.db2.gz UGCNMPFAFYPYSL-WDSOQIARSA-N 2 1 316.489 3.302 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513207913 435381588 /nfs/dbraw/zinc/38/15/88/435381588.db2.gz IOAQKLMCOGXYSJ-RAUXBKROSA-N 2 1 318.505 3.426 20 0 DGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513207913 435381593 /nfs/dbraw/zinc/38/15/93/435381593.db2.gz IOAQKLMCOGXYSJ-RAUXBKROSA-N 2 1 318.505 3.426 20 0 DGADMP COc1ccc(C)cc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682228 435391736 /nfs/dbraw/zinc/39/17/36/435391736.db2.gz OCZNZDUFTIRPJI-UHFFFAOYSA-N 2 1 311.429 3.111 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000513510714 435391964 /nfs/dbraw/zinc/39/19/64/435391964.db2.gz FRFQOOHOKAVKNB-IYARVYRRSA-N 2 1 304.478 3.038 20 0 DGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccn2C)C[N@H+]1Cc1ccccc1 ZINC000513544084 435393988 /nfs/dbraw/zinc/39/39/88/435393988.db2.gz CVXBXELYMARMOH-HKUYNNGSSA-N 2 1 311.473 3.415 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161899 435398331 /nfs/dbraw/zinc/39/83/31/435398331.db2.gz LNWKLUPJCJJLDN-OLZOCXBDSA-N 2 1 315.373 3.166 20 0 DGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000568161899 435398335 /nfs/dbraw/zinc/39/83/35/435398335.db2.gz LNWKLUPJCJJLDN-OLZOCXBDSA-N 2 1 315.373 3.166 20 0 DGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)CC12CCCCC2 ZINC000568540843 435447503 /nfs/dbraw/zinc/44/75/03/435447503.db2.gz RUGHGFKVNITLEI-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)CC12CCCCC2 ZINC000568540843 435447506 /nfs/dbraw/zinc/44/75/06/435447506.db2.gz RUGHGFKVNITLEI-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)CC12CCCCC2 ZINC000568540843 435447507 /nfs/dbraw/zinc/44/75/07/435447507.db2.gz RUGHGFKVNITLEI-GOSISDBHSA-N 2 1 307.526 3.200 20 0 DGADMP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000537647084 435459656 /nfs/dbraw/zinc/45/96/56/435459656.db2.gz HKVCDQVUQYDDEI-KRWDZBQOSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000537647084 435459661 /nfs/dbraw/zinc/45/96/61/435459661.db2.gz HKVCDQVUQYDDEI-KRWDZBQOSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000537647084 435459667 /nfs/dbraw/zinc/45/96/67/435459667.db2.gz HKVCDQVUQYDDEI-KRWDZBQOSA-N 2 1 302.462 3.249 20 0 DGADMP CCOc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000537647084 435459672 /nfs/dbraw/zinc/45/96/72/435459672.db2.gz HKVCDQVUQYDDEI-KRWDZBQOSA-N 2 1 302.462 3.249 20 0 DGADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482253369 435460858 /nfs/dbraw/zinc/46/08/58/435460858.db2.gz QCVZSICDHBQBQK-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482253369 435460864 /nfs/dbraw/zinc/46/08/64/435460864.db2.gz QCVZSICDHBQBQK-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482253369 435460868 /nfs/dbraw/zinc/46/08/68/435460868.db2.gz QCVZSICDHBQBQK-HBFSDRIKSA-N 2 1 317.521 3.217 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000644576924 435462539 /nfs/dbraw/zinc/46/25/39/435462539.db2.gz JCJPCPDACZWJGQ-UAFMIMERSA-N 2 1 316.489 3.038 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000644576924 435462543 /nfs/dbraw/zinc/46/25/43/435462543.db2.gz JCJPCPDACZWJGQ-UAFMIMERSA-N 2 1 316.489 3.038 20 0 DGADMP CCOC[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537941075 435474898 /nfs/dbraw/zinc/47/48/98/435474898.db2.gz HALROJXATKHUNX-SCTDSRPQSA-N 2 1 304.478 3.302 20 0 DGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639980886 435479437 /nfs/dbraw/zinc/47/94/37/435479437.db2.gz RULOONWCMQLTQQ-UHFFFAOYSA-N 2 1 317.408 3.264 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000568445182 435435790 /nfs/dbraw/zinc/43/57/90/435435790.db2.gz QTABKGWVOPFSSW-IHPCNDPISA-N 2 1 318.505 3.141 20 0 DGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000568445182 435435794 /nfs/dbraw/zinc/43/57/94/435435794.db2.gz QTABKGWVOPFSSW-IHPCNDPISA-N 2 1 318.505 3.141 20 0 DGADMP C[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CO1 ZINC000514860481 435443476 /nfs/dbraw/zinc/44/34/76/435443476.db2.gz OLRGRTJIXACIKB-IZIZEDOESA-N 2 1 302.462 3.197 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000644666559 435481993 /nfs/dbraw/zinc/48/19/93/435481993.db2.gz GPFGVUZFDPZHBJ-IBGZPJMESA-N 2 1 316.489 3.205 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000644666559 435481999 /nfs/dbraw/zinc/48/19/99/435481999.db2.gz GPFGVUZFDPZHBJ-IBGZPJMESA-N 2 1 316.489 3.205 20 0 DGADMP CCc1nc(C)c([C@H](C)[N@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000515496742 435488600 /nfs/dbraw/zinc/48/86/00/435488600.db2.gz OWMCGZLFQHMFNU-ZDUSSCGKSA-N 2 1 306.479 3.373 20 0 DGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000515496742 435488604 /nfs/dbraw/zinc/48/86/04/435488604.db2.gz OWMCGZLFQHMFNU-ZDUSSCGKSA-N 2 1 306.479 3.373 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC000644703168 435495335 /nfs/dbraw/zinc/49/53/35/435495335.db2.gz LEIVCKADWABJKM-FQEVSTJZSA-N 2 1 321.424 3.140 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000569622620 435549339 /nfs/dbraw/zinc/54/93/39/435549339.db2.gz GUSDKWFAGHTGCN-NSISKUIASA-N 3 1 315.505 3.278 20 0 DGADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000540199529 435592777 /nfs/dbraw/zinc/59/27/77/435592777.db2.gz YMHRNPBGTGYJQS-MRXNPFEDSA-N 2 1 312.498 3.018 20 0 DGADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000540199529 435592782 /nfs/dbraw/zinc/59/27/82/435592782.db2.gz YMHRNPBGTGYJQS-MRXNPFEDSA-N 2 1 312.498 3.018 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000569713606 435554500 /nfs/dbraw/zinc/55/45/00/435554500.db2.gz WIPQRGFWSGBWAL-VQTJNVASSA-N 2 1 323.440 3.228 20 0 DGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000649276741 435555114 /nfs/dbraw/zinc/55/51/14/435555114.db2.gz CPKPPVCDSXLERR-GOSISDBHSA-N 2 1 315.461 3.142 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC000484986783 435559121 /nfs/dbraw/zinc/55/91/21/435559121.db2.gz IYUNBYLBGBIHEA-HZPDHXFCSA-N 2 1 304.478 3.422 20 0 DGADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000569862172 435567703 /nfs/dbraw/zinc/56/77/03/435567703.db2.gz DHXQQWYXYNVPAW-TYNCELHUSA-N 2 1 311.267 3.364 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000569862172 435567706 /nfs/dbraw/zinc/56/77/06/435567706.db2.gz DHXQQWYXYNVPAW-TYNCELHUSA-N 2 1 311.267 3.364 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516981868 435568276 /nfs/dbraw/zinc/56/82/76/435568276.db2.gz YMHVVUVXXACNRS-NSISKUIASA-N 3 1 315.505 3.278 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@H]3CCCO3)C2)s1 ZINC000516995885 435568727 /nfs/dbraw/zinc/56/87/27/435568727.db2.gz GKVJOBKAEVHPHJ-IAGOWNOFSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@H]3CCCO3)C2)s1 ZINC000516995885 435568733 /nfs/dbraw/zinc/56/87/33/435568733.db2.gz GKVJOBKAEVHPHJ-IAGOWNOFSA-N 2 1 322.518 3.379 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@H]3CCCO3)C2)s1 ZINC000516995885 435568737 /nfs/dbraw/zinc/56/87/37/435568737.db2.gz GKVJOBKAEVHPHJ-IAGOWNOFSA-N 2 1 322.518 3.379 20 0 DGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000649413611 435581312 /nfs/dbraw/zinc/58/13/12/435581312.db2.gz QESLWRZMSLAXOH-HXUWFJFHSA-N 2 1 315.505 3.367 20 0 DGADMP CC1([NH3+])CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000649416034 435582040 /nfs/dbraw/zinc/58/20/40/435582040.db2.gz IXYNMRGXIPJVNP-UHFFFAOYSA-N 2 1 320.440 3.315 20 0 DGADMP Cc1ccc2cc[nH+]c(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000645194504 435590724 /nfs/dbraw/zinc/59/07/24/435590724.db2.gz PCPYMWJQXZADFD-KRWDZBQOSA-N 2 1 311.429 3.208 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000518275772 435631835 /nfs/dbraw/zinc/63/18/35/435631835.db2.gz UEKQSYFWSFPFDV-UHFFFAOYSA-N 2 1 308.429 3.304 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000518275772 435631840 /nfs/dbraw/zinc/63/18/40/435631840.db2.gz UEKQSYFWSFPFDV-UHFFFAOYSA-N 2 1 308.429 3.304 20 0 DGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000518338971 435634223 /nfs/dbraw/zinc/63/42/23/435634223.db2.gz DIUYTIIZRJCASB-AOIWGVFYSA-N 2 1 301.478 3.428 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc2c1CCOC2 ZINC000640534716 435598829 /nfs/dbraw/zinc/59/88/29/435598829.db2.gz SNEXFNXFRFXOQO-UHFFFAOYSA-N 2 1 316.489 3.457 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000517630454 435604281 /nfs/dbraw/zinc/60/42/81/435604281.db2.gz GWSRAOGJGAPHPS-CMKODMSKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517630454 435604287 /nfs/dbraw/zinc/60/42/87/435604287.db2.gz GWSRAOGJGAPHPS-CMKODMSKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517630454 435604291 /nfs/dbraw/zinc/60/42/91/435604291.db2.gz GWSRAOGJGAPHPS-CMKODMSKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000540506837 435605871 /nfs/dbraw/zinc/60/58/71/435605871.db2.gz VRARJBPOPAWMOR-UHFFFAOYSA-N 2 1 320.525 3.270 20 0 DGADMP COc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000570928171 435662622 /nfs/dbraw/zinc/66/26/22/435662622.db2.gz UIVYFGVZZFIVHJ-HXUWFJFHSA-N 2 1 310.441 3.424 20 0 DGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000571069870 435674176 /nfs/dbraw/zinc/67/41/76/435674176.db2.gz OKWQBXBRSUCTLT-QHIRMHHVSA-N 2 1 308.510 3.434 20 0 DGADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483666 435696339 /nfs/dbraw/zinc/69/63/39/435696339.db2.gz HDSBBWPBNPTMTH-NQIIRXRSSA-N 2 1 323.484 3.433 20 0 DGADMP C[N@@H+](CCC[C@@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000645810961 435697530 /nfs/dbraw/zinc/69/75/30/435697530.db2.gz NABHGMDPGJWJJT-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@@H]1CCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000645810961 435697535 /nfs/dbraw/zinc/69/75/35/435697535.db2.gz NABHGMDPGJWJJT-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP C[NH+](CCC[C@@H]1CCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000645810961 435697539 /nfs/dbraw/zinc/69/75/39/435697539.db2.gz NABHGMDPGJWJJT-WOJBJXKFSA-N 2 1 316.489 3.257 20 0 DGADMP Fc1cccc(F)c1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000645837831 435703290 /nfs/dbraw/zinc/70/32/90/435703290.db2.gz GRLVTLHKUAVOPS-AUUYWEPGSA-N 2 1 320.427 3.456 20 0 DGADMP Fc1cccc(F)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000645837831 435703318 /nfs/dbraw/zinc/70/33/18/435703318.db2.gz GRLVTLHKUAVOPS-AUUYWEPGSA-N 2 1 320.427 3.456 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000571746243 435730426 /nfs/dbraw/zinc/73/04/26/435730426.db2.gz DCVMEZIRPHUJDZ-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000571746243 435730429 /nfs/dbraw/zinc/73/04/29/435730429.db2.gz DCVMEZIRPHUJDZ-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000571746243 435730433 /nfs/dbraw/zinc/73/04/33/435730433.db2.gz DCVMEZIRPHUJDZ-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655698255 435732168 /nfs/dbraw/zinc/73/21/68/435732168.db2.gz SOCISFIMYUNIHT-GOSISDBHSA-N 2 1 312.461 3.350 20 0 DGADMP c1sc2ccccc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655697684 435733301 /nfs/dbraw/zinc/73/33/01/435733301.db2.gz VGTRCJZOKSXTHD-INIZCTEOSA-N 2 1 316.470 3.244 20 0 DGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655702158 435735482 /nfs/dbraw/zinc/73/54/82/435735482.db2.gz YSGZBZLENGDWJX-PXNSSMCTSA-N 2 1 316.489 3.413 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406826 435741570 /nfs/dbraw/zinc/74/15/70/435741570.db2.gz QUWVRYXNHHYXRV-UWJYYQICSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406826 435741581 /nfs/dbraw/zinc/74/15/81/435741581.db2.gz QUWVRYXNHHYXRV-UWJYYQICSA-N 3 1 323.484 3.288 20 0 DGADMP C[C@H](CC[N@H+]1CC[C@@]2(CC2(F)F)C1)[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000649907699 435749291 /nfs/dbraw/zinc/74/92/91/435749291.db2.gz YEHAYTFMEADSKR-MCIONIFRSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@]2(CC2(F)F)C1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907699 435749298 /nfs/dbraw/zinc/74/92/98/435749298.db2.gz YEHAYTFMEADSKR-MCIONIFRSA-N 2 1 320.374 3.227 20 0 DGADMP C[C@H](CC[NH+]1CC[C@@]2(CC2(F)F)C1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907699 435749303 /nfs/dbraw/zinc/74/93/03/435749303.db2.gz YEHAYTFMEADSKR-MCIONIFRSA-N 2 1 320.374 3.227 20 0 DGADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655737166 435763429 /nfs/dbraw/zinc/76/34/29/435763429.db2.gz WHRRCUHAVPGAMW-SFHVURJKSA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466627 435761221 /nfs/dbraw/zinc/76/12/21/435761221.db2.gz VFKKZLXSUKMRMY-MILMJNAHSA-N 2 1 322.537 3.226 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466627 435761225 /nfs/dbraw/zinc/76/12/25/435761225.db2.gz VFKKZLXSUKMRMY-MILMJNAHSA-N 2 1 322.537 3.226 20 0 DGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466627 435761239 /nfs/dbraw/zinc/76/12/39/435761239.db2.gz VFKKZLXSUKMRMY-MILMJNAHSA-N 2 1 322.537 3.226 20 0 DGADMP C=Cc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655770006 435788274 /nfs/dbraw/zinc/78/82/74/435788274.db2.gz VWGBWBOEOCSTMV-HXUWFJFHSA-N 2 1 314.473 3.105 20 0 DGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC000655775572 435791546 /nfs/dbraw/zinc/79/15/46/435791546.db2.gz BAXYIRGPGIKQCZ-ZFWWWQNUSA-N 2 1 322.415 3.198 20 0 DGADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641707413 435793680 /nfs/dbraw/zinc/79/36/80/435793680.db2.gz LDGZOOCUOVFYLB-INIZCTEOSA-N 2 1 324.472 3.144 20 0 DGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000651758826 435817490 /nfs/dbraw/zinc/81/74/90/435817490.db2.gz PGQXFSLJAHBBOU-SLFFLAALSA-N 2 1 316.489 3.312 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000551083293 435820346 /nfs/dbraw/zinc/82/03/46/435820346.db2.gz APSQPQUJSTYZER-SLFFLAALSA-N 2 1 316.489 3.353 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000551083293 435820354 /nfs/dbraw/zinc/82/03/54/435820354.db2.gz APSQPQUJSTYZER-SLFFLAALSA-N 2 1 316.489 3.353 20 0 DGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491559286 435772226 /nfs/dbraw/zinc/77/22/26/435772226.db2.gz JPIZQMXTSJCFER-ZDUSSCGKSA-N 2 1 320.868 3.121 20 0 DGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757344 435775559 /nfs/dbraw/zinc/77/55/59/435775559.db2.gz FHLQINOORIIHQF-LSDHHAIUSA-N 2 1 322.415 3.196 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000655764837 435783224 /nfs/dbraw/zinc/78/32/24/435783224.db2.gz SOFWPQMOOJZWIY-NJAFHUGGSA-N 2 1 304.503 3.382 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651678963 435786459 /nfs/dbraw/zinc/78/64/59/435786459.db2.gz KICWSXVVHIDEED-GASCZTMLSA-N 2 1 301.434 3.285 20 0 DGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651678963 435786465 /nfs/dbraw/zinc/78/64/65/435786465.db2.gz KICWSXVVHIDEED-GASCZTMLSA-N 2 1 301.434 3.285 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000641799911 435829356 /nfs/dbraw/zinc/82/93/56/435829356.db2.gz SOLTZPLWNNHSPE-KEYYUXOJSA-N 2 1 313.445 3.455 20 0 DGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccns1 ZINC000641798056 435829411 /nfs/dbraw/zinc/82/94/11/435829411.db2.gz GXBLMWLXJGIIJH-FUHWJXTLSA-N 2 1 315.486 3.315 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000641807503 435829895 /nfs/dbraw/zinc/82/98/95/435829895.db2.gz VCIVAPVOOFRVDY-QZTJIDSGSA-N 2 1 323.440 3.008 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn21 ZINC000551329255 435831103 /nfs/dbraw/zinc/83/11/03/435831103.db2.gz ZWFDWMKLESZIQG-HZPDHXFCSA-N 2 1 314.477 3.372 20 0 DGADMP CC(C)c1[nH+]c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn21 ZINC000551329255 435831111 /nfs/dbraw/zinc/83/11/11/435831111.db2.gz ZWFDWMKLESZIQG-HZPDHXFCSA-N 2 1 314.477 3.372 20 0 DGADMP C[C@H]1C[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385970 435833323 /nfs/dbraw/zinc/83/33/23/435833323.db2.gz VFPPLXPJFJJSFH-IEBWSBKVSA-N 2 1 316.489 3.398 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000651822926 435841092 /nfs/dbraw/zinc/84/10/92/435841092.db2.gz OXRXFCJDZHSOQY-YQQQUEKLSA-N 2 1 324.472 3.204 20 0 DGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651822926 435841099 /nfs/dbraw/zinc/84/10/99/435841099.db2.gz OXRXFCJDZHSOQY-YQQQUEKLSA-N 2 1 324.472 3.204 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCSc1ccc(F)cc1)C2 ZINC000660656761 435842091 /nfs/dbraw/zinc/84/20/91/435842091.db2.gz UOINMYFKDQQWQP-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccc(F)cc1)C2 ZINC000660656761 435842099 /nfs/dbraw/zinc/84/20/99/435842099.db2.gz UOINMYFKDQQWQP-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccc(F)cc1)C2 ZINC000660656761 435842103 /nfs/dbraw/zinc/84/21/03/435842103.db2.gz UOINMYFKDQQWQP-QGZVFWFLSA-N 2 1 308.466 3.336 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCN(C)c2ccccc2)C1 ZINC000572635921 435848214 /nfs/dbraw/zinc/84/82/14/435848214.db2.gz LYPAEWQXZTUJTE-SFHVURJKSA-N 2 1 303.494 3.177 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000572635921 435848222 /nfs/dbraw/zinc/84/82/22/435848222.db2.gz LYPAEWQXZTUJTE-SFHVURJKSA-N 2 1 303.494 3.177 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000572635921 435848228 /nfs/dbraw/zinc/84/82/28/435848228.db2.gz LYPAEWQXZTUJTE-SFHVURJKSA-N 2 1 303.494 3.177 20 0 DGADMP COc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)ccc1SC ZINC000651866521 435849555 /nfs/dbraw/zinc/84/95/55/435849555.db2.gz HSXOBCXTBZGVOC-UHFFFAOYSA-N 2 1 310.507 3.485 20 0 DGADMP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)ccc1SC ZINC000651866521 435849561 /nfs/dbraw/zinc/84/95/61/435849561.db2.gz HSXOBCXTBZGVOC-UHFFFAOYSA-N 2 1 310.507 3.485 20 0 DGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000572642170 435850365 /nfs/dbraw/zinc/85/03/65/435850365.db2.gz RUUCRLWBOUDSLW-LFZDHENXSA-N 2 1 314.473 3.054 20 0 DGADMP CC(C)CC[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678568 435857194 /nfs/dbraw/zinc/85/71/94/435857194.db2.gz WFZWRWQVZSPNKJ-LJQANCHMSA-N 2 1 304.478 3.038 20 0 DGADMP CC(C)(C)OCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679613 435858261 /nfs/dbraw/zinc/85/82/61/435858261.db2.gz PVPDDKIUAJGVHC-UHFFFAOYSA-N 2 1 304.478 3.446 20 0 DGADMP CC[C@H](OCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000651908639 435861929 /nfs/dbraw/zinc/86/19/29/435861929.db2.gz KHIPQZZCPYQJKE-NEWSRXKRSA-N 2 1 304.478 3.474 20 0 DGADMP CC[C@H](OCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000651908641 435862567 /nfs/dbraw/zinc/86/25/67/435862567.db2.gz KHIPQZZCPYQJKE-UHOSZYNNSA-N 2 1 304.478 3.474 20 0 DGADMP CC[N@@H+](CCCNC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000651910491 435863522 /nfs/dbraw/zinc/86/35/22/435863522.db2.gz VXHOFTCIGIDERQ-UHFFFAOYSA-N 2 1 307.526 3.248 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801097 435868369 /nfs/dbraw/zinc/86/83/69/435868369.db2.gz OAOQJPKFOAVWEB-DZGCQCFKSA-N 2 1 310.869 3.178 20 0 DGADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551169737 435822898 /nfs/dbraw/zinc/82/28/98/435822898.db2.gz LDJCBFOVDGKISL-MSOLQXFVSA-N 2 1 304.478 3.474 20 0 DGADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551169737 435822903 /nfs/dbraw/zinc/82/29/03/435822903.db2.gz LDJCBFOVDGKISL-MSOLQXFVSA-N 2 1 304.478 3.474 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000572404705 435823151 /nfs/dbraw/zinc/82/31/51/435823151.db2.gz UWMRONSRFGUTBQ-ROUUACIJSA-N 2 1 302.462 3.297 20 0 DGADMP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C[C@H]1c1ccccc1 ZINC000551175592 435824235 /nfs/dbraw/zinc/82/42/35/435824235.db2.gz NVNHPLHZMMSURH-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C[C@H]1c1ccccc1 ZINC000551175592 435824241 /nfs/dbraw/zinc/82/42/41/435824241.db2.gz NVNHPLHZMMSURH-OALUTQOASA-N 2 1 302.462 3.228 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641797685 435825028 /nfs/dbraw/zinc/82/50/28/435825028.db2.gz FUVGPDLOASOQJA-CALCHBBNSA-N 2 1 311.429 3.081 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110279 435881457 /nfs/dbraw/zinc/88/14/57/435881457.db2.gz FKJLPGHJKYSPRG-VEXQSBSHSA-N 2 1 306.400 3.396 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110279 435881463 /nfs/dbraw/zinc/88/14/63/435881463.db2.gz FKJLPGHJKYSPRG-VEXQSBSHSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110279 435881473 /nfs/dbraw/zinc/88/14/73/435881473.db2.gz FKJLPGHJKYSPRG-VEXQSBSHSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110279 435881479 /nfs/dbraw/zinc/88/14/79/435881479.db2.gz FKJLPGHJKYSPRG-VEXQSBSHSA-N 2 1 306.400 3.396 20 0 DGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110278 435882101 /nfs/dbraw/zinc/88/21/01/435882101.db2.gz FKJLPGHJKYSPRG-HCABJEFNSA-N 2 1 306.400 3.396 20 0 DGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110278 435882104 /nfs/dbraw/zinc/88/21/04/435882104.db2.gz FKJLPGHJKYSPRG-HCABJEFNSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110278 435882108 /nfs/dbraw/zinc/88/21/08/435882108.db2.gz FKJLPGHJKYSPRG-HCABJEFNSA-N 2 1 306.400 3.396 20 0 DGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000552110278 435882112 /nfs/dbraw/zinc/88/21/12/435882112.db2.gz FKJLPGHJKYSPRG-HCABJEFNSA-N 2 1 306.400 3.396 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651983202 435884319 /nfs/dbraw/zinc/88/43/19/435884319.db2.gz SGBBWBIGZPDRLL-UWVAXJGDSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651983202 435884323 /nfs/dbraw/zinc/88/43/23/435884323.db2.gz SGBBWBIGZPDRLL-UWVAXJGDSA-N 2 1 316.489 3.444 20 0 DGADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000652142892 435913540 /nfs/dbraw/zinc/91/35/40/435913540.db2.gz HRIYVWIRFNFRLR-IBGZPJMESA-N 2 1 322.468 3.349 20 0 DGADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665237760 435923980 /nfs/dbraw/zinc/92/39/80/435923980.db2.gz JIEZXMBJGGSYHP-USXIJHARSA-N 2 1 318.461 3.104 20 0 DGADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665237759 435924566 /nfs/dbraw/zinc/92/45/66/435924566.db2.gz JIEZXMBJGGSYHP-HYVNUMGLSA-N 2 1 318.461 3.104 20 0 DGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250664 435927600 /nfs/dbraw/zinc/92/76/00/435927600.db2.gz YVLIKASABDUVTK-CDHQVMDDSA-N 2 1 312.432 3.492 20 0 DGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000665255506 435930683 /nfs/dbraw/zinc/93/06/83/435930683.db2.gz UVHPHMCVNUVNRZ-CBVHJVASSA-N 2 1 302.462 3.309 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)Cc1cnccn1)C1CCCCC1 ZINC000652237903 435931126 /nfs/dbraw/zinc/93/11/26/435931126.db2.gz KEZACSTWIQEIDV-INIZCTEOSA-N 2 1 304.482 3.042 20 0 DGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCSCC1 ZINC000665257279 435932792 /nfs/dbraw/zinc/93/27/92/435932792.db2.gz DTGMUNQYLPBZCD-MORSLUCNSA-N 2 1 322.493 3.393 20 0 DGADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257590 435932905 /nfs/dbraw/zinc/93/29/05/435932905.db2.gz NSRYEOAMLVKLIQ-NIKGAXFTSA-N 2 1 316.420 3.475 20 0 DGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@@H]1CC[NH3+] ZINC000652356007 435958537 /nfs/dbraw/zinc/95/85/37/435958537.db2.gz PWBMPOUSLFOCFD-CZUORRHYSA-N 2 1 317.408 3.430 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@@H]1CC[NH3+] ZINC000652356007 435958542 /nfs/dbraw/zinc/95/85/42/435958542.db2.gz PWBMPOUSLFOCFD-CZUORRHYSA-N 2 1 317.408 3.430 20 0 DGADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363381 435958704 /nfs/dbraw/zinc/95/87/04/435958704.db2.gz CPXCTYSWICPPKY-OTWHNJEPSA-N 2 1 302.462 3.110 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)c1 ZINC000652361586 435958842 /nfs/dbraw/zinc/95/88/42/435958842.db2.gz KRANVGBMAOHJFQ-MISYRCLQSA-N 2 1 316.489 3.473 20 0 DGADMP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363568 435959649 /nfs/dbraw/zinc/95/96/49/435959649.db2.gz IBCKCERYEQYZEU-ZACQAIPSSA-N 2 1 320.502 3.269 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCc2cccc(F)c2)C1 ZINC000652363439 435959804 /nfs/dbraw/zinc/95/98/04/435959804.db2.gz DTBTTZYSLSKYCA-GUDVDZBRSA-N 2 1 320.452 3.119 20 0 DGADMP FC1(F)CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000647182876 435964709 /nfs/dbraw/zinc/96/47/09/435964709.db2.gz YLBQUWPVMZAJJX-UHFFFAOYSA-N 2 1 316.436 3.189 20 0 DGADMP Cc1ccccc1-n1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000647188223 435967693 /nfs/dbraw/zinc/96/76/93/435967693.db2.gz XATWBNVHTHHYIE-YQQQUEKLSA-N 2 1 324.472 3.286 20 0 DGADMP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000647243843 435987065 /nfs/dbraw/zinc/98/70/65/435987065.db2.gz PTKIZYUPXQPESC-VQIMIIECSA-N 2 1 304.478 3.038 20 0 DGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706259 435995141 /nfs/dbraw/zinc/99/51/41/435995141.db2.gz HOHMQMBWJPOHSL-FHWLQOOXSA-N 2 1 302.462 3.022 20 0 DGADMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647248698 435990016 /nfs/dbraw/zinc/99/00/16/435990016.db2.gz UBOPRVDDOVUSKQ-QUCCMNQESA-N 2 1 310.441 3.130 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C)c1 ZINC000650705331 435995166 /nfs/dbraw/zinc/99/51/66/435995166.db2.gz DQBCKTRASJGLTR-IPMKNSEASA-N 2 1 302.462 3.022 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248518 435991496 /nfs/dbraw/zinc/99/14/96/435991496.db2.gz FKVKRPKFIBOPML-UXHICEINSA-N 2 1 324.468 3.439 20 0 DGADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248518 435991501 /nfs/dbraw/zinc/99/15/01/435991501.db2.gz FKVKRPKFIBOPML-UXHICEINSA-N 2 1 324.468 3.439 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000650708564 435995224 /nfs/dbraw/zinc/99/52/24/435995224.db2.gz DTQNPUAABPIFOG-XUVXKRRUSA-N 2 1 314.473 3.282 20 0 DGADMP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279387 435937962 /nfs/dbraw/zinc/93/79/62/435937962.db2.gz BNGAJDXQARZAFG-YWCUFVOSSA-N 2 1 321.262 3.168 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(CO)CCC1 ZINC000652310434 435944809 /nfs/dbraw/zinc/94/48/09/435944809.db2.gz GTCNADRFTIJOAJ-IEBWSBKVSA-N 2 1 316.489 3.039 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352347 435955616 /nfs/dbraw/zinc/95/56/16/435955616.db2.gz HYFMEYUXUCARMS-QOKNQOGYSA-N 2 1 311.429 3.463 20 0 DGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352347 435955620 /nfs/dbraw/zinc/95/56/20/435955620.db2.gz HYFMEYUXUCARMS-QOKNQOGYSA-N 2 1 311.429 3.463 20 0 DGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705437 435994305 /nfs/dbraw/zinc/99/43/05/435994305.db2.gz GSMVSZZKZRWJTF-UHOSZYNNSA-N 2 1 302.462 3.022 20 0 DGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000652350322 435957096 /nfs/dbraw/zinc/95/70/96/435957096.db2.gz SJMUEPHZXWEQFR-GVDBMIGSSA-N 2 1 324.415 3.343 20 0 DGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711259 435999770 /nfs/dbraw/zinc/99/97/70/435999770.db2.gz NDYYSKVLSIRPLN-KXBFYZLASA-N 2 1 312.461 3.130 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC3(CCCC3)CC2)CC1 ZINC000661230490 436001211 /nfs/dbraw/zinc/00/12/11/436001211.db2.gz AYBUHNOEMHXFJT-UHFFFAOYSA-N 2 1 321.553 3.449 20 0 DGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C ZINC000650722457 436005771 /nfs/dbraw/zinc/00/57/71/436005771.db2.gz UHDDPCKFSJXDAR-GUDVDZBRSA-N 2 1 302.462 3.164 20 0 DGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000650722817 436006062 /nfs/dbraw/zinc/00/60/62/436006062.db2.gz BXWXUTXWZNNIBO-LULLPPNCSA-N 2 1 302.462 3.151 20 0 DGADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723817 436008526 /nfs/dbraw/zinc/00/85/26/436008526.db2.gz UIMGPDXJSSNUOR-ZNMIVQPWSA-N 2 1 323.506 3.127 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723817 436008531 /nfs/dbraw/zinc/00/85/31/436008531.db2.gz UIMGPDXJSSNUOR-ZNMIVQPWSA-N 2 1 323.506 3.127 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000650723059 436008593 /nfs/dbraw/zinc/00/85/93/436008593.db2.gz HAOBDYLGJZHYHW-IKGGRYGDSA-N 2 1 324.415 3.485 20 0 DGADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000650754392 436020606 /nfs/dbraw/zinc/02/06/06/436020606.db2.gz HYTNCHDAADKPGI-KRWDZBQOSA-N 2 1 318.367 3.427 20 0 DGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344022 436024618 /nfs/dbraw/zinc/02/46/18/436024618.db2.gz HVKIVHLKBZIGEN-YRPNKDGESA-N 2 1 316.489 3.127 20 0 DGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647344746 436024900 /nfs/dbraw/zinc/02/49/00/436024900.db2.gz YJXPMPIREZKMCI-HSALFYBXSA-N 2 1 316.489 3.127 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000647344199 436024988 /nfs/dbraw/zinc/02/49/88/436024988.db2.gz LRALBSMRELTKFB-IMJJTQAJSA-N 2 1 301.459 3.139 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000647344199 436024994 /nfs/dbraw/zinc/02/49/94/436024994.db2.gz LRALBSMRELTKFB-IMJJTQAJSA-N 2 1 301.459 3.139 20 0 DGADMP Cc1[nH+]cc(CNc2[nH+]ccn2Cc2ccccc2Cl)n1C ZINC000656775151 436038877 /nfs/dbraw/zinc/03/88/77/436038877.db2.gz KNZWNKHWESZCDN-UHFFFAOYSA-N 2 1 315.808 3.239 20 0 DGADMP c1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH]nc1-c1ccccc1 ZINC000656782643 436041816 /nfs/dbraw/zinc/04/18/16/436041816.db2.gz ICEZPVIKOBSPDI-GOSISDBHSA-N 2 1 324.472 3.288 20 0 DGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656782752 436042581 /nfs/dbraw/zinc/04/25/81/436042581.db2.gz JNKSCRXUFMEQRH-HNNXBMFYSA-N 2 1 307.507 3.478 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)c1 ZINC000656785173 436044225 /nfs/dbraw/zinc/04/42/25/436044225.db2.gz KAFMULDBKYMFBE-LJQANCHMSA-N 2 1 324.472 3.084 20 0 DGADMP Fc1cc(F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000656784798 436045348 /nfs/dbraw/zinc/04/53/48/436045348.db2.gz CHLDGCPTYARBAJ-CYBMUJFWSA-N 2 1 312.379 3.316 20 0 DGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(Cl)c1OC ZINC000656788358 436048332 /nfs/dbraw/zinc/04/83/32/436048332.db2.gz KXLLUMFJJNDXKU-UHFFFAOYSA-N 2 1 312.841 3.108 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705485 435995360 /nfs/dbraw/zinc/99/53/60/435995360.db2.gz JKDAQRMLMUOVDP-FHWLQOOXSA-N 2 1 302.462 3.022 20 0 DGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708180 435995514 /nfs/dbraw/zinc/99/55/14/435995514.db2.gz UWPYKTKRZPTIPT-SZMVWBNQSA-N 2 1 322.880 3.367 20 0 DGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705453 435996213 /nfs/dbraw/zinc/99/62/13/435996213.db2.gz HMQPLBIXQIITFV-DFQSSKMNSA-N 2 1 316.489 3.330 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707787 435996401 /nfs/dbraw/zinc/99/64/01/435996401.db2.gz NAJXYVLTZPDBIX-LZLYRXPVSA-N 2 1 322.880 3.367 20 0 DGADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480734 436060059 /nfs/dbraw/zinc/06/00/59/436060059.db2.gz YCGWNUNDKFRYAO-WBVHZDCISA-N 2 1 324.415 3.295 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480299 436060274 /nfs/dbraw/zinc/06/02/74/436060274.db2.gz IYVUEDMJUYRYKT-HKUYNNGSSA-N 2 1 314.473 3.439 20 0 DGADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480299 436060280 /nfs/dbraw/zinc/06/02/80/436060280.db2.gz IYVUEDMJUYRYKT-HKUYNNGSSA-N 2 1 314.473 3.439 20 0 DGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccccc2)n1 ZINC000647479952 436060814 /nfs/dbraw/zinc/06/08/14/436060814.db2.gz YPKKEHVLFSJKGX-PKOBYXMFSA-N 2 1 324.472 3.051 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480115 436060945 /nfs/dbraw/zinc/06/09/45/436060945.db2.gz BLVLBIBBIREKKU-HKUYNNGSSA-N 2 1 324.472 3.349 20 0 DGADMP Fc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000647482510 436063216 /nfs/dbraw/zinc/06/32/16/436063216.db2.gz KZCAKBRMOMCSTC-UHFFFAOYSA-N 2 1 314.351 3.144 20 0 DGADMP Fc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000647482510 436063225 /nfs/dbraw/zinc/06/32/25/436063225.db2.gz KZCAKBRMOMCSTC-UHFFFAOYSA-N 2 1 314.351 3.144 20 0 DGADMP c1cc(OCC2CC2)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482452 436064325 /nfs/dbraw/zinc/06/43/25/436064325.db2.gz GSZYTORYAWDUDA-UHFFFAOYSA-N 2 1 300.446 3.192 20 0 DGADMP CCOc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OCC ZINC000647482892 436064372 /nfs/dbraw/zinc/06/43/72/436064372.db2.gz HFPXCTXCJAZVFY-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CCOc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OCC ZINC000647482892 436064374 /nfs/dbraw/zinc/06/43/74/436064374.db2.gz HFPXCTXCJAZVFY-UHFFFAOYSA-N 2 1 318.461 3.200 20 0 DGADMP CCCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498526 436065841 /nfs/dbraw/zinc/06/58/41/436065841.db2.gz JNGAWEYDLKNJMV-HZPDHXFCSA-N 2 1 306.450 3.043 20 0 DGADMP CCCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498526 436065849 /nfs/dbraw/zinc/06/58/49/436065849.db2.gz JNGAWEYDLKNJMV-HZPDHXFCSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647499008 436066494 /nfs/dbraw/zinc/06/64/94/436066494.db2.gz WRPHRCUACDNTRG-BHYGNILZSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647499008 436066497 /nfs/dbraw/zinc/06/64/97/436066497.db2.gz WRPHRCUACDNTRG-BHYGNILZSA-N 2 1 320.477 3.432 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000647498602 436066772 /nfs/dbraw/zinc/06/67/72/436066772.db2.gz KYEMBRRJTYOMDG-MLGOLLRUSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000647498602 436066776 /nfs/dbraw/zinc/06/67/76/436066776.db2.gz KYEMBRRJTYOMDG-MLGOLLRUSA-N 2 1 303.837 3.447 20 0 DGADMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000647497720 436067174 /nfs/dbraw/zinc/06/71/74/436067174.db2.gz SMEWBEZIVNSHBX-IEBWSBKVSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000647497720 436067178 /nfs/dbraw/zinc/06/71/78/436067178.db2.gz SMEWBEZIVNSHBX-IEBWSBKVSA-N 2 1 324.472 3.409 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000647536689 436075495 /nfs/dbraw/zinc/07/54/95/436075495.db2.gz WAHLKJOSQUEOCY-KDOFPFPSSA-N 2 1 306.450 3.043 20 0 DGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000647536689 436075499 /nfs/dbraw/zinc/07/54/99/436075499.db2.gz WAHLKJOSQUEOCY-KDOFPFPSSA-N 2 1 306.450 3.043 20 0 DGADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000647544145 436077164 /nfs/dbraw/zinc/07/71/64/436077164.db2.gz XIUWDSDYZLCXKQ-MOPGFXCFSA-N 2 1 324.472 3.084 20 0 DGADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543272 436077236 /nfs/dbraw/zinc/07/72/36/436077236.db2.gz KETJNHSQLKMPAH-ZWKOTPCHSA-N 2 1 302.462 3.297 20 0 DGADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543127 436078661 /nfs/dbraw/zinc/07/86/61/436078661.db2.gz HWKKQPFEKSYPHF-ROUUACIJSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543127 436078667 /nfs/dbraw/zinc/07/86/67/436078667.db2.gz HWKKQPFEKSYPHF-ROUUACIJSA-N 2 1 324.472 3.288 20 0 DGADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543127 436078670 /nfs/dbraw/zinc/07/86/70/436078670.db2.gz HWKKQPFEKSYPHF-ROUUACIJSA-N 2 1 324.472 3.288 20 0 DGADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000647542802 436079062 /nfs/dbraw/zinc/07/90/62/436079062.db2.gz CABIDJPBUXYHTD-QZTJIDSGSA-N 2 1 324.472 3.084 20 0 DGADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)c1 ZINC000647543742 436079293 /nfs/dbraw/zinc/07/92/93/436079293.db2.gz RPHKJMOMKQGEQJ-OALUTQOASA-N 2 1 324.472 3.084 20 0 DGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542693 436079455 /nfs/dbraw/zinc/07/94/55/436079455.db2.gz ABWJNLGLMLRSOC-CVLYKSAASA-N 2 1 314.473 3.420 20 0 DGADMP Clc1ccc(OCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814341 436127191 /nfs/dbraw/zinc/12/71/91/436127191.db2.gz JLIOPSGJJXGVBI-UHFFFAOYSA-N 2 1 308.853 3.325 20 0 DGADMP C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000647817010 436128910 /nfs/dbraw/zinc/12/89/10/436128910.db2.gz XZGDNPMWSKVBEV-UHFFFAOYSA-N 2 1 300.368 3.322 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657314337 436132047 /nfs/dbraw/zinc/13/20/47/436132047.db2.gz ZZQKCORWDMISIE-HOTGVXAUSA-N 2 1 318.509 3.145 20 0 DGADMP c1cc2c(cc[nH+]c2N2CCC[N@H+](Cc3ccccc3)CC2)[nH]1 ZINC000647851598 436135073 /nfs/dbraw/zinc/13/50/73/436135073.db2.gz GNPNKBPEHBZPJF-UHFFFAOYSA-N 2 1 306.413 3.275 20 0 DGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(OC)c(OC)c1 ZINC000647873547 436138745 /nfs/dbraw/zinc/13/87/45/436138745.db2.gz ZCMOIIUBBTXFSU-UHFFFAOYSA-N 2 1 320.477 3.306 20 0 DGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000647888053 436142595 /nfs/dbraw/zinc/14/25/95/436142595.db2.gz FRMJTVKXOKTYLF-KZNAEPCWSA-N 2 1 308.510 3.292 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000647889444 436142682 /nfs/dbraw/zinc/14/26/82/436142682.db2.gz QWNLFBRUKKRATH-VQIMIIECSA-N 2 1 302.462 3.228 20 0 DGADMP Brc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890736 436143103 /nfs/dbraw/zinc/14/31/03/436143103.db2.gz LZYAQKKRMOCUCL-IUODEOHRSA-N 2 1 309.251 3.196 20 0 DGADMP Brc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647890736 436143108 /nfs/dbraw/zinc/14/31/08/436143108.db2.gz LZYAQKKRMOCUCL-IUODEOHRSA-N 2 1 309.251 3.196 20 0 DGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000647889441 436143230 /nfs/dbraw/zinc/14/32/30/436143230.db2.gz QWNLFBRUKKRATH-APWZRJJASA-N 2 1 302.462 3.228 20 0 DGADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902817 436144692 /nfs/dbraw/zinc/14/46/92/436144692.db2.gz CHECEPVJTPAGPV-MJGOQNOKSA-N 2 1 302.462 3.092 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CO1 ZINC000657338949 436144779 /nfs/dbraw/zinc/14/47/79/436144779.db2.gz XRAGYJYMSWIVLI-BZUAXINKSA-N 2 1 308.491 3.117 20 0 DGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CO1 ZINC000657338949 436144783 /nfs/dbraw/zinc/14/47/83/436144783.db2.gz XRAGYJYMSWIVLI-BZUAXINKSA-N 2 1 308.491 3.117 20 0 DGADMP FCC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661689948 436147558 /nfs/dbraw/zinc/14/75/58/436147558.db2.gz MCDOBFKRVNIYNJ-KRWDZBQOSA-N 2 1 320.452 3.090 20 0 DGADMP FCC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661689948 436147565 /nfs/dbraw/zinc/14/75/65/436147565.db2.gz MCDOBFKRVNIYNJ-KRWDZBQOSA-N 2 1 320.452 3.090 20 0 DGADMP CC[C@@H](NCc1ccnn1-c1ccncc1)c1nc(C)cs1 ZINC000657350523 436151244 /nfs/dbraw/zinc/15/12/44/436151244.db2.gz DWKUTYJBXPLUHS-OAHLLOKOSA-N 2 1 313.430 3.273 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC ZINC000653279446 436152373 /nfs/dbraw/zinc/15/23/73/436152373.db2.gz CKJUEUPADVZIID-IJEWVQPXSA-N 2 1 306.450 3.184 20 0 DGADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC ZINC000653279446 436152375 /nfs/dbraw/zinc/15/23/75/436152375.db2.gz CKJUEUPADVZIID-IJEWVQPXSA-N 2 1 306.450 3.184 20 0 DGADMP CC1([NH3+])CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000647925594 436152979 /nfs/dbraw/zinc/15/29/79/436152979.db2.gz PFUFIVUJCURFSV-UHFFFAOYSA-N 2 1 323.440 3.252 20 0 DGADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647936863 436153406 /nfs/dbraw/zinc/15/34/06/436153406.db2.gz MGKNUHLUDIGKEJ-TZMCWYRMSA-N 2 1 316.367 3.143 20 0 DGADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657293125 436119576 /nfs/dbraw/zinc/11/95/76/436119576.db2.gz TWBCMIOEXDJPPJ-UHFFFAOYSA-N 2 1 304.482 3.086 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789090 436120029 /nfs/dbraw/zinc/12/00/29/436120029.db2.gz YLNPBEWWIVVBTD-DFQSSKMNSA-N 3 1 315.505 3.005 20 0 DGADMP Fc1ccc(OC(F)F)c(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000657295496 436120719 /nfs/dbraw/zinc/12/07/19/436120719.db2.gz QOPQQLDDKIUBLK-UHFFFAOYSA-N 2 1 314.351 3.144 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2ccc(F)cc2)cc1 ZINC000647800552 436123855 /nfs/dbraw/zinc/12/38/55/436123855.db2.gz FGPHOKHZQIHNGN-MOPGFXCFSA-N 2 1 314.404 3.374 20 0 DGADMP CCc1ccc([C@H]2CCCCCN2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964278 436162377 /nfs/dbraw/zinc/16/23/77/436162377.db2.gz BCPISZQSGNHJQV-FUHWJXTLSA-N 2 1 322.493 3.460 20 0 DGADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647989945 436170041 /nfs/dbraw/zinc/17/00/41/436170041.db2.gz HCZAYPFVYGTQSL-GJZGRUSLSA-N 2 1 308.853 3.040 20 0 DGADMP c1coc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)no2)c1 ZINC000647976135 436167820 /nfs/dbraw/zinc/16/78/20/436167820.db2.gz KMETYIZUTIVTCM-GJZGRUSLSA-N 2 1 315.417 3.146 20 0 DGADMP C[C@H](O)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000661767766 436183414 /nfs/dbraw/zinc/18/34/14/436183414.db2.gz QGFSGUJRPYKDAJ-QFBILLFUSA-N 2 1 302.462 3.018 20 0 DGADMP CCCn1nccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429886 436196886 /nfs/dbraw/zinc/19/68/86/436196886.db2.gz MIMBWXGRKKRXJY-HZPDHXFCSA-N 2 1 304.482 3.036 20 0 DGADMP CCCn1nccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429886 436196892 /nfs/dbraw/zinc/19/68/92/436196892.db2.gz MIMBWXGRKKRXJY-HZPDHXFCSA-N 2 1 304.482 3.036 20 0 DGADMP C[C@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[NH+]1CCCCC1 ZINC000657432145 436198637 /nfs/dbraw/zinc/19/86/37/436198637.db2.gz BVXMAYJFLKXLDW-OAHLLOKOSA-N 2 1 304.482 3.042 20 0 DGADMP CC1CCC([N@H+](CCCc2c[nH+]cn2C)C[C@H]2CCCO2)CC1 ZINC000653559624 436204144 /nfs/dbraw/zinc/20/41/44/436204144.db2.gz LXFLVZASJWILQD-FAFZWHIHSA-N 2 1 319.493 3.412 20 0 DGADMP CC1CCC([N@@H+](CCCc2c[nH+]cn2C)C[C@H]2CCCO2)CC1 ZINC000653559624 436204147 /nfs/dbraw/zinc/20/41/47/436204147.db2.gz LXFLVZASJWILQD-FAFZWHIHSA-N 2 1 319.493 3.412 20 0 DGADMP CCSc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072197 436204806 /nfs/dbraw/zinc/20/48/06/436204806.db2.gz QWURWDVDLQYKST-UHFFFAOYSA-N 2 1 320.502 3.095 20 0 DGADMP CCSc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072197 436204811 /nfs/dbraw/zinc/20/48/11/436204811.db2.gz QWURWDVDLQYKST-UHFFFAOYSA-N 2 1 320.502 3.095 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3c(F)cccc3F)CC[C@@H]21 ZINC000653570304 436210414 /nfs/dbraw/zinc/21/04/14/436210414.db2.gz IZZQNHUMUSLHCQ-KSSFIOAISA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3c(F)cccc3F)CC[C@@H]21 ZINC000653570304 436210415 /nfs/dbraw/zinc/21/04/15/436210415.db2.gz IZZQNHUMUSLHCQ-KSSFIOAISA-N 2 1 308.416 3.314 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3c(F)cccc3F)CC[C@@H]21 ZINC000653570304 436210421 /nfs/dbraw/zinc/21/04/21/436210421.db2.gz IZZQNHUMUSLHCQ-KSSFIOAISA-N 2 1 308.416 3.314 20 0 DGADMP Cc1ccc(OCCC[N@@H+]2CC[C@H](c3nccn3C)C2)cc1C ZINC000653592118 436218487 /nfs/dbraw/zinc/21/84/87/436218487.db2.gz MRFGWRJXMUUQRR-KRWDZBQOSA-N 2 1 313.445 3.295 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657491847 436224468 /nfs/dbraw/zinc/22/44/68/436224468.db2.gz LAIRDZJLKUAKKY-GFCCVEGCSA-N 2 1 316.367 3.249 20 0 DGADMP COc1cc(Cl)c(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000666856602 436294655 /nfs/dbraw/zinc/29/46/55/436294655.db2.gz SXPIYMOZKNQXIS-NSHDSACASA-N 2 1 303.233 3.234 20 0 DGADMP C[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751888 436294709 /nfs/dbraw/zinc/29/47/09/436294709.db2.gz VHDIRFJKNBTJHY-XLIONFOSSA-N 2 1 316.489 3.098 20 0 DGADMP CCCOc1c(C[NH2+][C@H]2CCC[NH2+]CC2)cccc1OCC ZINC000666855485 436295878 /nfs/dbraw/zinc/29/58/78/436295878.db2.gz VCQRZGNFZWPLRH-INIZCTEOSA-N 2 1 306.450 3.106 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000657561322 436246387 /nfs/dbraw/zinc/24/63/87/436246387.db2.gz FSYRSMQZYPTRSQ-NEWSRXKRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000657561322 436246388 /nfs/dbraw/zinc/24/63/88/436246388.db2.gz FSYRSMQZYPTRSQ-NEWSRXKRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561322 436246391 /nfs/dbraw/zinc/24/63/91/436246391.db2.gz FSYRSMQZYPTRSQ-NEWSRXKRSA-N 2 1 315.505 3.112 20 0 DGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000657561322 436246393 /nfs/dbraw/zinc/24/63/93/436246393.db2.gz FSYRSMQZYPTRSQ-NEWSRXKRSA-N 2 1 315.505 3.112 20 0 DGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000657594004 436256851 /nfs/dbraw/zinc/25/68/51/436256851.db2.gz GFJOXYOLTJMYNZ-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP Cc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000657594259 436256979 /nfs/dbraw/zinc/25/69/79/436256979.db2.gz HURDZKZXESAWNZ-OAQYLSRUSA-N 2 1 324.468 3.160 20 0 DGADMP CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657594811 436257217 /nfs/dbraw/zinc/25/72/17/436257217.db2.gz CTCVTPQULWNVOL-RTBURBONSA-N 2 1 316.489 3.312 20 0 DGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657594645 436257557 /nfs/dbraw/zinc/25/75/57/436257557.db2.gz JSCAYOCDGXRPCB-NSISKUIASA-N 2 1 316.489 3.312 20 0 DGADMP CC1(C)CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000657595629 436257707 /nfs/dbraw/zinc/25/77/07/436257707.db2.gz RJYYVSRFAWVTPN-LJQANCHMSA-N 2 1 316.489 3.312 20 0 DGADMP C[C@H](CSc1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000653776907 436263659 /nfs/dbraw/zinc/26/36/59/436263659.db2.gz RPAWMPUECOHZIT-OAHLLOKOSA-N 2 1 303.475 3.465 20 0 DGADMP C[C@H](CSc1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000653776907 436263662 /nfs/dbraw/zinc/26/36/62/436263662.db2.gz RPAWMPUECOHZIT-OAHLLOKOSA-N 2 1 303.475 3.465 20 0 DGADMP C[C@H](CSc1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653776907 436263665 /nfs/dbraw/zinc/26/36/65/436263665.db2.gz RPAWMPUECOHZIT-OAHLLOKOSA-N 2 1 303.475 3.465 20 0 DGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccoc3)CC2)cc1 ZINC000657653447 436269375 /nfs/dbraw/zinc/26/93/75/436269375.db2.gz KYBOIZBTQRMJNC-UHFFFAOYSA-N 2 1 316.420 3.258 20 0 DGADMP C[C@@H]([NH2+]Cc1c(Cl)ccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000666774179 436279854 /nfs/dbraw/zinc/27/98/54/436279854.db2.gz NBFHNTFVCRWQLJ-TZMCWYRMSA-N 2 1 303.837 3.366 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000657701872 436281925 /nfs/dbraw/zinc/28/19/25/436281925.db2.gz DATYPFYTRCBFKN-IRXDYDNUSA-N 2 1 317.477 3.364 20 0 DGADMP C[C@H]([NH2+][C@H]1COC2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657967805 436348167 /nfs/dbraw/zinc/34/81/67/436348167.db2.gz SWSMLPPFMKGQGH-QXAKKESOSA-N 2 1 314.473 3.198 20 0 DGADMP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657997322 436352372 /nfs/dbraw/zinc/35/23/72/436352372.db2.gz BQDLNAMONUMODK-WMZOPIPTSA-N 2 1 302.462 3.056 20 0 DGADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662258420 436313718 /nfs/dbraw/zinc/31/37/18/436313718.db2.gz UNBFFAJYOCVDPP-IIBYNOLFSA-N 2 1 322.452 3.294 20 0 DGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1c1ccccc1 ZINC000662257303 436314937 /nfs/dbraw/zinc/31/49/37/436314937.db2.gz CLSILYOILQYALV-NEWSRXKRSA-N 2 1 314.473 3.023 20 0 DGADMP Oc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662253249 436315052 /nfs/dbraw/zinc/31/50/52/436315052.db2.gz GTMOQCVIXKVWQJ-FQEVSTJZSA-N 2 1 308.425 3.375 20 0 DGADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000662264773 436317569 /nfs/dbraw/zinc/31/75/69/436317569.db2.gz LNZBQZKEFNCVGU-CRAIPNDOSA-N 2 1 320.502 3.251 20 0 DGADMP CC[C@H](C)Oc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC ZINC000666969726 436318050 /nfs/dbraw/zinc/31/80/50/436318050.db2.gz NXEAVWRVWCCIGZ-WMLDXEAASA-N 2 1 320.477 3.480 20 0 DGADMP CC[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000662270489 436318773 /nfs/dbraw/zinc/31/87/73/436318773.db2.gz LOTQCEMVNXVVGW-BXUZGUMPSA-N 2 1 300.418 3.116 20 0 DGADMP CC[C@@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000662270489 436318776 /nfs/dbraw/zinc/31/87/76/436318776.db2.gz LOTQCEMVNXVVGW-BXUZGUMPSA-N 2 1 300.418 3.116 20 0 DGADMP CCOC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000657826554 436319791 /nfs/dbraw/zinc/31/97/91/436319791.db2.gz ILEAWBUBTJIPRB-UHFFFAOYSA-N 2 1 316.489 3.372 20 0 DGADMP CCOC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000657826554 436319793 /nfs/dbraw/zinc/31/97/93/436319793.db2.gz ILEAWBUBTJIPRB-UHFFFAOYSA-N 2 1 316.489 3.372 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000662274631 436320735 /nfs/dbraw/zinc/32/07/35/436320735.db2.gz YFIKBIKXCKMAHS-ZDUSSCGKSA-N 2 1 300.418 3.260 20 0 DGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1F ZINC000662274631 436320741 /nfs/dbraw/zinc/32/07/41/436320741.db2.gz YFIKBIKXCKMAHS-ZDUSSCGKSA-N 2 1 300.418 3.260 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000662274391 436321415 /nfs/dbraw/zinc/32/14/15/436321415.db2.gz SVBWJDNPMZCFIA-GUDVDZBRSA-N 2 1 302.462 3.086 20 0 DGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998262 436321886 /nfs/dbraw/zinc/32/18/86/436321886.db2.gz KGFFRYOFLLAPOB-KRWDZBQOSA-N 2 1 324.472 3.253 20 0 DGADMP c1cn2c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c(C3CC3)nc2s1 ZINC000666996881 436322553 /nfs/dbraw/zinc/32/25/53/436322553.db2.gz KBUUXAYYXCHVJC-CYBMUJFWSA-N 2 1 316.474 3.038 20 0 DGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662285845 436324119 /nfs/dbraw/zinc/32/41/19/436324119.db2.gz NRKCGLGCAQLTPX-MLHJIOFPSA-N 2 1 308.510 3.421 20 0 DGADMP CC(C)c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)c(C(C)C)c1 ZINC000662286975 436324640 /nfs/dbraw/zinc/32/46/40/436324640.db2.gz OBXVVIYWOYCBRK-UHFFFAOYSA-N 2 1 304.478 3.138 20 0 DGADMP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662296485 436325965 /nfs/dbraw/zinc/32/59/65/436325965.db2.gz QKVDYXPGZZZBFZ-CQSZACIVSA-N 2 1 314.433 3.217 20 0 DGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662296485 436325967 /nfs/dbraw/zinc/32/59/67/436325967.db2.gz QKVDYXPGZZZBFZ-CQSZACIVSA-N 2 1 314.433 3.217 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1F ZINC000657851731 436326154 /nfs/dbraw/zinc/32/61/54/436326154.db2.gz QJKOQGOEVTVWCT-OAHLLOKOSA-N 2 1 315.392 3.121 20 0 DGADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CCC[NH2+]C2)cc1 ZINC000662303722 436327041 /nfs/dbraw/zinc/32/70/41/436327041.db2.gz BRKCJTUJPWILNK-FFELKDMISA-N 2 1 314.473 3.451 20 0 DGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000662304916 436327359 /nfs/dbraw/zinc/32/73/59/436327359.db2.gz DHZQULPWNMOXET-WMLDXEAASA-N 2 1 306.425 3.361 20 0 DGADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000662311322 436327545 /nfs/dbraw/zinc/32/75/45/436327545.db2.gz RSDBFTJVYIXEJZ-GOSISDBHSA-N 2 1 320.452 3.367 20 0 DGADMP C[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)[C@@H]1CCC[NH3+] ZINC000662313200 436328549 /nfs/dbraw/zinc/32/85/49/436328549.db2.gz GGXSEAWNJMGMTC-GDBMZVCRSA-N 2 1 314.433 3.076 20 0 DGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1 ZINC000662313059 436328658 /nfs/dbraw/zinc/32/86/58/436328658.db2.gz HCIAIZYNJJQWQU-CRAIPNDOSA-N 2 1 317.477 3.081 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657859952 436328986 /nfs/dbraw/zinc/32/89/86/436328986.db2.gz ZOSYHAHUOZTPCZ-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP c1ccc(C23CC(C2)C[N@@H+]3Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662328952 436330517 /nfs/dbraw/zinc/33/05/17/436330517.db2.gz XLRSWCIAPZXJFS-UHFFFAOYSA-N 2 1 304.437 3.453 20 0 DGADMP CCCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328032 436331681 /nfs/dbraw/zinc/33/16/81/436331681.db2.gz NWTQOAOILALHOC-UHFFFAOYSA-N 2 1 304.482 3.246 20 0 DGADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000662319840 436331799 /nfs/dbraw/zinc/33/17/99/436331799.db2.gz NSFVUXRIIUXORT-MJGOQNOKSA-N 2 1 302.462 3.107 20 0 DGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000657916200 436339567 /nfs/dbraw/zinc/33/95/67/436339567.db2.gz VQPISWXSVCYLIN-SQNIBIBYSA-N 2 1 320.521 3.436 20 0 DGADMP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000658058177 436362155 /nfs/dbraw/zinc/36/21/55/436362155.db2.gz LTXMKKCFCSSLIR-AKHDSKFASA-N 2 1 314.473 3.339 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658087173 436370269 /nfs/dbraw/zinc/37/02/69/436370269.db2.gz QWAXLKBTFWDRRM-SOAGJPPSSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662621726 436370403 /nfs/dbraw/zinc/37/04/03/436370403.db2.gz JMDYZZLTKINPDO-SJORKVTESA-N 2 1 323.525 3.053 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000658129635 436383567 /nfs/dbraw/zinc/38/35/67/436383567.db2.gz VPEMOAJYTAIWFL-HOJAQTOUSA-N 2 1 309.457 3.240 20 0 DGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)C1 ZINC000658137914 436384510 /nfs/dbraw/zinc/38/45/10/436384510.db2.gz MKKYWUJWBFSXTM-MOPGFXCFSA-N 2 1 314.473 3.066 20 0 DGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658140792 436387485 /nfs/dbraw/zinc/38/74/85/436387485.db2.gz VMUWZCLAHJSWEM-SLFFLAALSA-N 2 1 316.489 3.168 20 0 DGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000658144724 436387786 /nfs/dbraw/zinc/38/77/86/436387786.db2.gz NQGYDUUQPBZTEX-CRAIPNDOSA-N 2 1 314.429 3.005 20 0 DGADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000658178113 436396032 /nfs/dbraw/zinc/39/60/32/436396032.db2.gz YZDVDCDAVFHMGN-HXUWFJFHSA-N 2 1 316.489 3.079 20 0 DGADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2ccccc21 ZINC000658211257 436400686 /nfs/dbraw/zinc/40/06/86/436400686.db2.gz CYOXZZUIELEMJG-BJLQDIEVSA-N 2 1 311.473 3.183 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@@H]2CCC[C@H]21 ZINC000658206614 436400710 /nfs/dbraw/zinc/40/07/10/436400710.db2.gz JRZOHSMQUWKPSX-VYJAJWGXSA-N 2 1 314.473 3.022 20 0 DGADMP C1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230502 436406208 /nfs/dbraw/zinc/40/62/08/436406208.db2.gz ZETCUOYWLVVNRX-FUHWJXTLSA-N 2 1 306.494 3.332 20 0 DGADMP C1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C2(C1)CCOCC2 ZINC000658230502 436406211 /nfs/dbraw/zinc/40/62/11/436406211.db2.gz ZETCUOYWLVVNRX-FUHWJXTLSA-N 2 1 306.494 3.332 20 0 DGADMP C[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055392 436360158 /nfs/dbraw/zinc/36/01/58/436360158.db2.gz IFINOQFFGQTLOA-ZFWWWQNUSA-N 2 1 307.457 3.415 20 0 DGADMP C[C@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055392 436360161 /nfs/dbraw/zinc/36/01/61/436360161.db2.gz IFINOQFFGQTLOA-ZFWWWQNUSA-N 2 1 307.457 3.415 20 0 DGADMP COCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320006 436429781 /nfs/dbraw/zinc/42/97/81/436429781.db2.gz LQHOXXXFYUAHIS-MJGOQNOKSA-N 2 1 316.489 3.303 20 0 DGADMP c1cnc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663346995 436443830 /nfs/dbraw/zinc/44/38/30/436443830.db2.gz DZIMZIMFRVBPSW-GOSISDBHSA-N 2 1 309.457 3.446 20 0 DGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466402 436464034 /nfs/dbraw/zinc/46/40/34/436464034.db2.gz SKPRDBGGJQPEQF-NVXWUHKLSA-N 2 1 301.478 3.417 20 0 DGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466402 436464037 /nfs/dbraw/zinc/46/40/37/436464037.db2.gz SKPRDBGGJQPEQF-NVXWUHKLSA-N 2 1 301.478 3.417 20 0 DGADMP CCn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000663467823 436464782 /nfs/dbraw/zinc/46/47/82/436464782.db2.gz ODHCBLAYBNBJNC-RDJZCZTQSA-N 2 1 304.482 3.036 20 0 DGADMP CCC[N@H+]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658288772 436419236 /nfs/dbraw/zinc/41/92/36/436419236.db2.gz ZCLURDHUHSNILI-WDSOQIARSA-N 2 1 307.526 3.103 20 0 DGADMP C[C@@H]([NH2+]CC(F)(F)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000658314004 436426481 /nfs/dbraw/zinc/42/64/81/436426481.db2.gz ACRJTMGDMXEFGF-GFCCVEGCSA-N 2 1 300.368 3.237 20 0 DGADMP c1cc2c(cc[nH+]c2N2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH]1 ZINC000663853430 436518432 /nfs/dbraw/zinc/51/84/32/436518432.db2.gz FKABGXZXRDYQRU-UHFFFAOYSA-N 2 1 321.428 3.480 20 0 DGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498649 436470585 /nfs/dbraw/zinc/47/05/85/436470585.db2.gz QSOAEHGFHRWPIT-CYBMUJFWSA-N 2 1 305.249 3.465 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000659878033 436554499 /nfs/dbraw/zinc/55/44/99/436554499.db2.gz XVLWMKHVMIHRFP-UHFFFAOYSA-N 2 1 304.478 3.255 20 0 DGADMP c1cc(C[N@H+]2CCC23CCOCC3)cc(C[NH+]2CCCCC2)c1 ZINC000664140086 436564361 /nfs/dbraw/zinc/56/43/61/436564361.db2.gz QYURMWCWFHAIPS-UHFFFAOYSA-N 2 1 314.473 3.427 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000659977116 436572578 /nfs/dbraw/zinc/57/25/78/436572578.db2.gz VIWCCXYEKVSCGW-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000659977116 436572581 /nfs/dbraw/zinc/57/25/81/436572581.db2.gz VIWCCXYEKVSCGW-MRXNPFEDSA-N 2 1 322.518 3.451 20 0 DGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655686531 436574514 /nfs/dbraw/zinc/57/45/14/436574514.db2.gz KEOQDMGUCHKLSK-WOJBJXKFSA-N 2 1 316.489 3.269 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nsc2ccccc21 ZINC000659996022 436576929 /nfs/dbraw/zinc/57/69/29/436576929.db2.gz DEIXHHIXNAULLG-CABCVRRESA-N 2 1 315.486 3.397 20 0 DGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1nsc2ccccc21 ZINC000659996022 436576933 /nfs/dbraw/zinc/57/69/33/436576933.db2.gz DEIXHHIXNAULLG-CABCVRRESA-N 2 1 315.486 3.397 20 0 DGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189421 436602160 /nfs/dbraw/zinc/60/21/60/436602160.db2.gz ZYPTVCLKZLWZON-RBUKOAKNSA-N 2 1 322.468 3.348 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000660189421 436602163 /nfs/dbraw/zinc/60/21/63/436602163.db2.gz ZYPTVCLKZLWZON-RBUKOAKNSA-N 2 1 322.468 3.348 20 0 DGADMP CCc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+](CC)CC)CC2)[nH]1 ZINC000660243567 436612271 /nfs/dbraw/zinc/61/22/71/436612271.db2.gz IXQLQYJIMFWRAC-OAHLLOKOSA-N 2 1 321.513 3.262 20 0 DGADMP FC(F)(F)[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC12CCC2 ZINC000420373578 303117577 /nfs/dbraw/zinc/11/75/77/303117577.db2.gz MNXFECBFDYRVBV-AWEZNQCLSA-N 2 1 304.400 3.431 20 0 DGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528731111 313067849 /nfs/dbraw/zinc/06/78/49/313067849.db2.gz QXGOZRKFYHYMPI-LJQANCHMSA-N 2 1 311.429 3.051 20 0 DGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528731111 313067850 /nfs/dbraw/zinc/06/78/50/313067850.db2.gz QXGOZRKFYHYMPI-LJQANCHMSA-N 2 1 311.429 3.051 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000530469766 313373860 /nfs/dbraw/zinc/37/38/60/313373860.db2.gz ZFHMEGZGSUTNBB-ICSRJNTNSA-N 2 1 316.489 3.303 20 0 DGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000530513164 313378796 /nfs/dbraw/zinc/37/87/96/313378796.db2.gz MKIIXSKHRBNANI-LBPRGKRZSA-N 2 1 311.351 3.202 20 0 DGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000530545648 313382322 /nfs/dbraw/zinc/38/23/22/313382322.db2.gz DSSZZRGFNOCALF-KBXCAEBGSA-N 2 1 302.462 3.349 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665837 313394055 /nfs/dbraw/zinc/39/40/55/313394055.db2.gz DLFOMRUOQGFDOR-TZMCWYRMSA-N 2 1 324.852 3.373 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665837 313394057 /nfs/dbraw/zinc/39/40/57/313394057.db2.gz DLFOMRUOQGFDOR-TZMCWYRMSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665837 313394060 /nfs/dbraw/zinc/39/40/60/313394060.db2.gz DLFOMRUOQGFDOR-TZMCWYRMSA-N 2 1 324.852 3.373 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C ZINC000530665837 313394063 /nfs/dbraw/zinc/39/40/63/313394063.db2.gz DLFOMRUOQGFDOR-TZMCWYRMSA-N 2 1 324.852 3.373 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000541566223 314023025 /nfs/dbraw/zinc/02/30/25/314023025.db2.gz PEJFBEVMNYYABF-RAUXBKROSA-N 2 1 316.489 3.444 20 0 DGADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H](C)C1 ZINC000543424272 314133179 /nfs/dbraw/zinc/13/31/79/314133179.db2.gz QHIUKDLQRBLBIK-KURKYZTESA-N 2 1 308.510 3.436 20 0 DGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629312 314146609 /nfs/dbraw/zinc/14/66/09/314146609.db2.gz MUYALKHXMPIZGV-VDTRDMOZSA-N 2 1 306.400 3.394 20 0 DGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629312 314146612 /nfs/dbraw/zinc/14/66/12/314146612.db2.gz MUYALKHXMPIZGV-VDTRDMOZSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629312 314146617 /nfs/dbraw/zinc/14/66/17/314146617.db2.gz MUYALKHXMPIZGV-VDTRDMOZSA-N 2 1 306.400 3.394 20 0 DGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)cc3F)CC[C@@H]21 ZINC000543629312 314146622 /nfs/dbraw/zinc/14/66/22/314146622.db2.gz MUYALKHXMPIZGV-VDTRDMOZSA-N 2 1 306.400 3.394 20 0 DGADMP CC1(C)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000556589296 314763820 /nfs/dbraw/zinc/76/38/20/314763820.db2.gz SKIXEPROEGFBER-OALUTQOASA-N 2 1 314.473 3.449 20 0 DGADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614064 315036219 /nfs/dbraw/zinc/03/62/19/315036219.db2.gz LSGFLKDRYREYOG-RXVVDRJESA-N 2 1 324.468 3.017 20 0 DGADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000562614064 315036222 /nfs/dbraw/zinc/03/62/22/315036222.db2.gz LSGFLKDRYREYOG-RXVVDRJESA-N 2 1 324.468 3.017 20 0 DGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)C1 ZINC000563949482 315149491 /nfs/dbraw/zinc/14/94/91/315149491.db2.gz ZDJWTRJXXXFUHG-CVEARBPZSA-N 2 1 314.477 3.204 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C3CCCCC3)cc2)CCCO1 ZINC000564555024 315182354 /nfs/dbraw/zinc/18/23/54/315182354.db2.gz XEENNMCDWJRRTG-IBGZPJMESA-N 2 1 302.462 3.284 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CCCO1 ZINC000564555024 315182357 /nfs/dbraw/zinc/18/23/57/315182357.db2.gz XEENNMCDWJRRTG-IBGZPJMESA-N 2 1 302.462 3.284 20 0 DGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000564753270 315197235 /nfs/dbraw/zinc/19/72/35/315197235.db2.gz DVPZKCVSZKJZFX-HJOIGYKYSA-N 2 1 312.498 3.208 20 0 DGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000564753270 315197239 /nfs/dbraw/zinc/19/72/39/315197239.db2.gz DVPZKCVSZKJZFX-HJOIGYKYSA-N 2 1 312.498 3.208 20 0 DGADMP CC1=CC[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000565553235 315270568 /nfs/dbraw/zinc/27/05/68/315270568.db2.gz CPENVGIBPPMWRV-IAGOWNOFSA-N 2 1 319.518 3.125 20 0 DGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOCC3CC3)C2)s1 ZINC000566013380 315304654 /nfs/dbraw/zinc/30/46/54/315304654.db2.gz NYVCNPSLFUYTLN-QGZVFWFLSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOCC3CC3)C2)s1 ZINC000566013380 315304658 /nfs/dbraw/zinc/30/46/58/315304658.db2.gz NYVCNPSLFUYTLN-QGZVFWFLSA-N 2 1 322.518 3.237 20 0 DGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOCC3CC3)C2)s1 ZINC000566013380 315304663 /nfs/dbraw/zinc/30/46/63/315304663.db2.gz NYVCNPSLFUYTLN-QGZVFWFLSA-N 2 1 322.518 3.237 20 0 DGADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566089669 315310868 /nfs/dbraw/zinc/31/08/68/315310868.db2.gz GGMIYTXONVOSIG-ZTFGCOKTSA-N 2 1 321.896 3.065 20 0 DGADMP c1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(-c2ccccc2)o1 ZINC000567641484 315438042 /nfs/dbraw/zinc/43/80/42/315438042.db2.gz BKPXGEMRECKZQK-BRWVUGGUSA-N 2 1 311.429 3.352 20 0 DGADMP c1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(-c2ccccc2)o1 ZINC000567641485 315438121 /nfs/dbraw/zinc/43/81/21/315438121.db2.gz BKPXGEMRECKZQK-GVDBMIGSSA-N 2 1 311.429 3.352 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCSC1 ZINC000577260329 316218459 /nfs/dbraw/zinc/21/84/59/316218459.db2.gz AXRFYFUMEBDZGU-QGZVFWFLSA-N 2 1 306.519 3.487 20 0 DGADMP Cc1cc(C)c([C@@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000578132720 316306407 /nfs/dbraw/zinc/30/64/07/316306407.db2.gz UIGZAKWZIGUVQU-QZTJIDSGSA-N 2 1 316.489 3.360 20 0 DGADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000181919494 323274460 /nfs/dbraw/zinc/27/44/60/323274460.db2.gz HOLGGLDHIUJDAI-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@H]1CCCC[N@@H+]1C ZINC000181919494 323274463 /nfs/dbraw/zinc/27/44/63/323274463.db2.gz HOLGGLDHIUJDAI-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC000181919494 323274466 /nfs/dbraw/zinc/27/44/66/323274466.db2.gz HOLGGLDHIUJDAI-MRXNPFEDSA-N 2 1 312.498 3.305 20 0 DGADMP C[C@@H]1CCCC[C@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000183741357 323347073 /nfs/dbraw/zinc/34/70/73/323347073.db2.gz SMXGVAXEELAQTA-MSOLQXFVSA-N 2 1 308.510 3.437 20 0 DGADMP C[C@H]([NH2+]CCOc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675248 323392756 /nfs/dbraw/zinc/39/27/56/323392756.db2.gz BWGANGVDTIXLCC-HOTGVXAUSA-N 2 1 320.452 3.447 20 0 DGADMP C[C@@H]([NH2+]CCCCCn1cccn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724537 323394510 /nfs/dbraw/zinc/39/45/10/323394510.db2.gz WLLKIRRRWAKGLS-MSOLQXFVSA-N 2 1 318.509 3.296 20 0 DGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[NH+](C)C ZINC000580617905 324018969 /nfs/dbraw/zinc/01/89/69/324018969.db2.gz WGANJWYZXWJNCB-LMMKCTJWSA-N 2 1 320.525 3.402 20 0 DGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000581951565 324171915 /nfs/dbraw/zinc/17/19/15/324171915.db2.gz GILFXPKZMARBGD-GUYCJALGSA-N 2 1 321.852 3.372 20 0 DGADMP Cc1oc2ccccc2c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000582030105 324180630 /nfs/dbraw/zinc/18/06/30/324180630.db2.gz CCFMXRPKJBISGP-UHFFFAOYSA-N 2 1 317.477 3.057 20 0 DGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000582056620 324184144 /nfs/dbraw/zinc/18/41/44/324184144.db2.gz KZSVQLFZEQXXNB-LLVKDONJSA-N 2 1 304.356 3.466 20 0 DGADMP C[N@H+]1CCC[C@H](CN[C@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587904 324249282 /nfs/dbraw/zinc/24/92/82/324249282.db2.gz GPCJMDFMTNXWBL-DOMZBBRYSA-N 2 1 310.388 3.110 20 0 DGADMP CC(C)COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582632237 324254853 /nfs/dbraw/zinc/25/48/53/324254853.db2.gz ANZUCLMRMDALQY-VQIMIIECSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582632237 324254859 /nfs/dbraw/zinc/25/48/59/324254859.db2.gz ANZUCLMRMDALQY-VQIMIIECSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000582632237 324254864 /nfs/dbraw/zinc/25/48/64/324254864.db2.gz ANZUCLMRMDALQY-VQIMIIECSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000582632237 324254870 /nfs/dbraw/zinc/25/48/70/324254870.db2.gz ANZUCLMRMDALQY-VQIMIIECSA-N 2 1 304.478 3.493 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000583353133 324341616 /nfs/dbraw/zinc/34/16/16/324341616.db2.gz DLVVLNOQBZTQKQ-UHFFFAOYSA-N 2 1 300.490 3.454 20 0 DGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000583507593 324364107 /nfs/dbraw/zinc/36/41/07/324364107.db2.gz CVDYKZZXPPNRCR-OAHLLOKOSA-N 2 1 304.463 3.127 20 0 DGADMP Cc1nc2c(s1)[C@H]([N@H+](C)CCCc1c[nH+]cn1C)CCC2 ZINC000583507593 324364110 /nfs/dbraw/zinc/36/41/10/324364110.db2.gz CVDYKZZXPPNRCR-OAHLLOKOSA-N 2 1 304.463 3.127 20 0 DGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000584284241 332211010 /nfs/dbraw/zinc/21/10/10/332211010.db2.gz YHIHBOZBKMDQCX-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000584284241 332211012 /nfs/dbraw/zinc/21/10/12/332211012.db2.gz YHIHBOZBKMDQCX-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000584284241 332211013 /nfs/dbraw/zinc/21/10/13/332211013.db2.gz YHIHBOZBKMDQCX-MJGOQNOKSA-N 2 1 302.462 3.392 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000584665340 337380109 /nfs/dbraw/zinc/38/01/09/337380109.db2.gz JAZWGVBEBUOTGG-HHUCQEJWSA-N 2 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584665340 337380110 /nfs/dbraw/zinc/38/01/10/337380110.db2.gz JAZWGVBEBUOTGG-HHUCQEJWSA-N 3 1 315.505 3.003 20 0 DGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584665340 337380111 /nfs/dbraw/zinc/38/01/11/337380111.db2.gz JAZWGVBEBUOTGG-HHUCQEJWSA-N 3 1 315.505 3.003 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000125539693 501006774 /nfs/dbraw/zinc/00/67/74/501006774.db2.gz LGQGRFLMDWEBRF-VQIMIIECSA-N 2 1 313.445 3.434 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000125539693 501006778 /nfs/dbraw/zinc/00/67/78/501006778.db2.gz LGQGRFLMDWEBRF-VQIMIIECSA-N 2 1 313.445 3.434 20 0 DGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000442784401 533843961 /nfs/dbraw/zinc/84/39/61/533843961.db2.gz VXTKFXBQJOFFBJ-QZTJIDSGSA-N 2 1 324.468 3.462 20 0 DGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000432409999 533850041 /nfs/dbraw/zinc/85/00/41/533850041.db2.gz KXNLILASIQWENA-IRXDYDNUSA-N 2 1 316.489 3.327 20 0 DGADMP C[C@H](CCO)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000162220333 533973450 /nfs/dbraw/zinc/97/34/50/533973450.db2.gz OIKYAWLOWDDCJZ-GOSISDBHSA-N 2 1 304.478 3.136 20 0 DGADMP COc1ccccc1CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991057 534029735 /nfs/dbraw/zinc/02/97/35/534029735.db2.gz NYUBHGUANWEZOI-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292991057 534029745 /nfs/dbraw/zinc/02/97/45/534029745.db2.gz NYUBHGUANWEZOI-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP COc1ccccc1CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991057 534029748 /nfs/dbraw/zinc/02/97/48/534029748.db2.gz NYUBHGUANWEZOI-LJQANCHMSA-N 2 1 302.462 3.046 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C[C@@H]1C[NH3+] ZINC000415122755 534043275 /nfs/dbraw/zinc/04/32/75/534043275.db2.gz IPKSXMQCRWSHGZ-NEPJUHHUSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C[C@@H]1C[NH3+] ZINC000415122755 534043280 /nfs/dbraw/zinc/04/32/80/534043280.db2.gz IPKSXMQCRWSHGZ-NEPJUHHUSA-N 2 1 307.488 3.288 20 0 DGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737314 534070420 /nfs/dbraw/zinc/07/04/20/534070420.db2.gz HDFVISDWNKUKQL-HBUWYVDXSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737314 534070424 /nfs/dbraw/zinc/07/04/24/534070424.db2.gz HDFVISDWNKUKQL-HBUWYVDXSA-N 2 1 308.416 3.484 20 0 DGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000294737314 534070429 /nfs/dbraw/zinc/07/04/29/534070429.db2.gz HDFVISDWNKUKQL-HBUWYVDXSA-N 2 1 308.416 3.484 20 0 DGADMP Cc1nc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781931 534370585 /nfs/dbraw/zinc/37/05/85/534370585.db2.gz OYURANIOECNBST-YPMHNXCESA-N 2 1 319.836 3.473 20 0 DGADMP Cc1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)oc1-c1ccc(Cl)cc1 ZINC000442781931 534370591 /nfs/dbraw/zinc/37/05/91/534370591.db2.gz OYURANIOECNBST-YPMHNXCESA-N 2 1 319.836 3.473 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000428868565 534419045 /nfs/dbraw/zinc/41/90/45/534419045.db2.gz XANJCVBSOAVPPV-WDEREUQCSA-N 2 1 304.381 3.483 20 0 DGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000428868565 534419056 /nfs/dbraw/zinc/41/90/56/534419056.db2.gz XANJCVBSOAVPPV-WDEREUQCSA-N 2 1 304.381 3.483 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000154793132 519608479 /nfs/dbraw/zinc/60/84/79/519608479.db2.gz BCLNZKNXBGNFMG-QAPCUYQASA-N 2 1 317.477 3.101 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000154793132 519608486 /nfs/dbraw/zinc/60/84/86/519608486.db2.gz BCLNZKNXBGNFMG-QAPCUYQASA-N 2 1 317.477 3.101 20 0 DGADMP c1ccc(COCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415090846 534490082 /nfs/dbraw/zinc/49/00/82/534490082.db2.gz PIPDWUDPRFRBCJ-PMACEKPBSA-N 2 1 310.441 3.286 20 0 DGADMP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000415078686 534492528 /nfs/dbraw/zinc/49/25/28/534492528.db2.gz GTGWVTSUCIBPQZ-FZMZJTMJSA-N 2 1 304.331 3.408 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000154517949 521680017 /nfs/dbraw/zinc/68/00/17/521680017.db2.gz QBDIAQZNRPCLIN-QGZVFWFLSA-N 2 1 321.534 3.133 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000154518054 521680304 /nfs/dbraw/zinc/68/03/04/521680304.db2.gz QBDIAQZNRPCLIN-KRWDZBQOSA-N 2 1 321.534 3.133 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000163324346 522473227 /nfs/dbraw/zinc/47/32/27/522473227.db2.gz JVYWTZUMYZUQCB-ZFWWWQNUSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000163324346 522473230 /nfs/dbraw/zinc/47/32/30/522473230.db2.gz JVYWTZUMYZUQCB-ZFWWWQNUSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH+](C)CC[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000163324346 522473239 /nfs/dbraw/zinc/47/32/39/522473239.db2.gz JVYWTZUMYZUQCB-ZFWWWQNUSA-N 2 1 307.507 3.499 20 0 DGADMP CCc1nc2c(s1)[C@@H]([NH+](C)CC[C@@H]1CCC[N@H+]1C)CCC2 ZINC000163324346 522473242 /nfs/dbraw/zinc/47/32/42/522473242.db2.gz JVYWTZUMYZUQCB-ZFWWWQNUSA-N 2 1 307.507 3.499 20 0 DGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055242 534640486 /nfs/dbraw/zinc/64/04/86/534640486.db2.gz AZRCIOOAONTEMN-MRXNPFEDSA-N 2 1 317.477 3.118 20 0 DGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000415066331 534678442 /nfs/dbraw/zinc/67/84/42/534678442.db2.gz OKLRSFCVXQOQKN-CQSZACIVSA-N 2 1 302.340 3.192 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000163399191 523820452 /nfs/dbraw/zinc/82/04/52/523820452.db2.gz UQYHDVUROYUXNO-KURKYZTESA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000163399191 523820456 /nfs/dbraw/zinc/82/04/56/523820456.db2.gz UQYHDVUROYUXNO-KURKYZTESA-N 2 1 320.477 3.432 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000163399191 523820461 /nfs/dbraw/zinc/82/04/61/523820461.db2.gz UQYHDVUROYUXNO-KURKYZTESA-N 2 1 320.477 3.432 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@@H+]1C ZINC000156100737 524926733 /nfs/dbraw/zinc/92/67/33/524926733.db2.gz SWMCHSOBBPUDEN-FUHWJXTLSA-N 2 1 316.493 3.034 20 0 DGADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC[N@H+]1C ZINC000156100737 524926745 /nfs/dbraw/zinc/92/67/45/524926745.db2.gz SWMCHSOBBPUDEN-FUHWJXTLSA-N 2 1 316.493 3.034 20 0 DGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)cn1 ZINC000157351085 526522706 /nfs/dbraw/zinc/52/27/06/526522706.db2.gz HLTCYMFPLSKCCA-LJQANCHMSA-N 2 1 324.472 3.323 20 0 DGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415053726 526697201 /nfs/dbraw/zinc/69/72/01/526697201.db2.gz MSDZTHGQOZXNMG-ZDUSSCGKSA-N 2 1 304.356 3.091 20 0 DGADMP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2O1 ZINC000317251044 527772884 /nfs/dbraw/zinc/77/28/84/527772884.db2.gz NLMUOSQJCMRNKK-SJORKVTESA-N 2 1 300.446 3.117 20 0 DGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110271 527804470 /nfs/dbraw/zinc/80/44/70/527804470.db2.gz SIAQGHRCNBJCJF-NXHRZFHOSA-N 2 1 318.461 3.190 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ncc2F)c1 ZINC000294927171 527846493 /nfs/dbraw/zinc/84/64/93/527846493.db2.gz CXVMZCQTWGYNNT-UHFFFAOYSA-N 2 1 305.372 3.101 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ncc2F)c1 ZINC000294927171 527846498 /nfs/dbraw/zinc/84/64/98/527846498.db2.gz CXVMZCQTWGYNNT-UHFFFAOYSA-N 2 1 305.372 3.101 20 0 DGADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442875243 527859566 /nfs/dbraw/zinc/85/95/66/527859566.db2.gz NPCZFRCBWCOPSE-QZTJIDSGSA-N 2 1 309.542 3.207 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433326805 527985619 /nfs/dbraw/zinc/98/56/19/527985619.db2.gz PKWOMSNATPVKGV-OAHLLOKOSA-N 2 1 316.449 3.127 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433326805 527985623 /nfs/dbraw/zinc/98/56/23/527985623.db2.gz PKWOMSNATPVKGV-OAHLLOKOSA-N 2 1 316.449 3.127 20 0 DGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442873875 528129931 /nfs/dbraw/zinc/12/99/31/528129931.db2.gz PUMAUSMFUNOEMG-QGZVFWFLSA-N 2 1 317.521 3.487 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000295027163 528203736 /nfs/dbraw/zinc/20/37/36/528203736.db2.gz LHDFJWVKVMGSRD-UHFFFAOYSA-N 2 1 301.356 3.064 20 0 DGADMP CCC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000417313895 528216800 /nfs/dbraw/zinc/21/68/00/528216800.db2.gz QJBVEWNMDFVSMQ-SJORKVTESA-N 2 1 308.510 3.436 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3ccncc3)C2)CC1 ZINC000299467262 528251510 /nfs/dbraw/zinc/25/15/10/528251510.db2.gz FDDPLXIKZJWARP-LJQANCHMSA-N 2 1 301.478 3.068 20 0 DGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccncc3)C2)CC1 ZINC000299467262 528251515 /nfs/dbraw/zinc/25/15/15/528251515.db2.gz FDDPLXIKZJWARP-LJQANCHMSA-N 2 1 301.478 3.068 20 0 DGADMP CC[NH+](CC)[C@H](CNc1cc[nH+]c(N(C)C)n1)c1ccccc1 ZINC000320851370 528282592 /nfs/dbraw/zinc/28/25/92/528282592.db2.gz FRDGBBZEYCLCTR-MRXNPFEDSA-N 2 1 313.449 3.038 20 0 DGADMP CC[NH2+]CC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000430550803 528290739 /nfs/dbraw/zinc/29/07/39/528290739.db2.gz ZTYFAPPSARGFPQ-UHFFFAOYSA-N 2 1 322.403 3.253 20 0 DGADMP CC[N@@H+](CCC1CC[NH+](CCC2CC[NH2+]CC2)CC1)CC(C)C ZINC000420364620 528430013 /nfs/dbraw/zinc/43/00/13/528430013.db2.gz DCQHHPUDFIOJQD-UHFFFAOYSA-N 3 1 323.569 3.456 20 0 DGADMP CCCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415064746 528688116 /nfs/dbraw/zinc/68/81/16/528688116.db2.gz LKWHPGUCAMKXII-INIZCTEOSA-N 2 1 306.450 3.091 20 0 DGADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374617 528724811 /nfs/dbraw/zinc/72/48/11/528724811.db2.gz BCQWCYGJAYBUKQ-WBVHZDCISA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428374617 528724813 /nfs/dbraw/zinc/72/48/13/528724813.db2.gz BCQWCYGJAYBUKQ-WBVHZDCISA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428374617 528724818 /nfs/dbraw/zinc/72/48/18/528724818.db2.gz BCQWCYGJAYBUKQ-WBVHZDCISA-N 2 1 317.477 3.384 20 0 DGADMP CCCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428374617 528724821 /nfs/dbraw/zinc/72/48/21/528724821.db2.gz BCQWCYGJAYBUKQ-WBVHZDCISA-N 2 1 317.477 3.384 20 0 DGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309651705 528785360 /nfs/dbraw/zinc/78/53/60/528785360.db2.gz GVSICSULSQOZCE-ZCNNSNEGSA-N 2 1 316.489 3.302 20 0 DGADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000433138989 528993946 /nfs/dbraw/zinc/99/39/46/528993946.db2.gz UYYJBSLYDKNXKQ-QAPCUYQASA-N 2 1 317.477 3.230 20 0 DGADMP CC(C)(C[NH2+]Cc1ccnn1C1CCCC1)C[NH+]1CCCC1 ZINC000449284856 535148297 /nfs/dbraw/zinc/14/82/97/535148297.db2.gz PEPNYSJCRNYKHB-UHFFFAOYSA-N 2 1 304.482 3.210 20 0 DGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493944683 535177003 /nfs/dbraw/zinc/17/70/03/535177003.db2.gz KBHJNCQHLOBMHD-SJLPKXTDSA-N 2 1 302.462 3.090 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1 ZINC000092703971 545849718 /nfs/dbraw/zinc/84/97/18/545849718.db2.gz DBYXFWKFGZBGRO-UHFFFAOYSA-N 2 1 302.462 3.247 20 0 DGADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000120695705 545888798 /nfs/dbraw/zinc/88/87/98/545888798.db2.gz AIGLVAJJEOEFGC-DOMZBBRYSA-N 2 1 305.853 3.436 20 0 DGADMP Cc1cc(N2CCC([NH2+]CC3CCCCC3)CC2)nc(C)[nH+]1 ZINC000124375544 545912087 /nfs/dbraw/zinc/91/20/87/545912087.db2.gz DJGARBMQIKQZFO-UHFFFAOYSA-N 2 1 302.466 3.232 20 0 DGADMP FC(F)Oc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151117937 545991010 /nfs/dbraw/zinc/99/10/10/545991010.db2.gz SKYFVKZBGCZNNC-UHFFFAOYSA-N 2 1 319.355 3.005 20 0 DGADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(OC3CCCC3)c2)CC1 ZINC000153329363 546008646 /nfs/dbraw/zinc/00/86/46/546008646.db2.gz SMRDSUHLNQXQSD-UHFFFAOYSA-N 2 1 317.477 3.367 20 0 DGADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000153427278 546009801 /nfs/dbraw/zinc/00/98/01/546009801.db2.gz WERBPWVUWOHMOP-IEBWSBKVSA-N 3 1 309.542 3.063 20 0 DGADMP CC(C)COc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166259889 546094603 /nfs/dbraw/zinc/09/46/03/546094603.db2.gz WLJKARLZFRRYIF-QZTJIDSGSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166259889 546094609 /nfs/dbraw/zinc/09/46/09/546094609.db2.gz WLJKARLZFRRYIF-QZTJIDSGSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166259889 546094611 /nfs/dbraw/zinc/09/46/11/546094611.db2.gz WLJKARLZFRRYIF-QZTJIDSGSA-N 2 1 302.462 3.438 20 0 DGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235144010 546278481 /nfs/dbraw/zinc/27/84/81/546278481.db2.gz SXCNHRGOQLOUHI-WFASDCNBSA-N 2 1 311.267 3.112 20 0 DGADMP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000280073884 546378808 /nfs/dbraw/zinc/37/88/08/546378808.db2.gz LDLOXHYVIKFHGU-ICSRJNTNSA-N 2 1 323.484 3.433 20 0 DGADMP OCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000303277622 546440074 /nfs/dbraw/zinc/44/00/74/546440074.db2.gz VIKROKWCCSCKFL-UHFFFAOYSA-N 2 1 316.489 3.183 20 0 DGADMP CN(CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339070647 546532808 /nfs/dbraw/zinc/53/28/08/546532808.db2.gz NVXGPEVNCXJBJY-HKUYNNGSSA-N 2 1 301.478 3.119 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000339073644 546532822 /nfs/dbraw/zinc/53/28/22/546532822.db2.gz CIVDEXRPGXAHQO-QRQLOZEOSA-N 2 1 302.462 3.056 20 0 DGADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379620084 546735389 /nfs/dbraw/zinc/73/53/89/546735389.db2.gz COHPZEFJZVZCIU-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379620084 546735392 /nfs/dbraw/zinc/73/53/92/546735392.db2.gz COHPZEFJZVZCIU-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379620084 546735397 /nfs/dbraw/zinc/73/53/97/546735397.db2.gz COHPZEFJZVZCIU-RLLQIKCJSA-N 2 1 315.505 3.113 20 0 DGADMP c1ccc(C[N@H+]2CC[C@H](Nc3cc[nH+]c4ccccc34)C2)cc1 ZINC000381083235 546738204 /nfs/dbraw/zinc/73/82/04/546738204.db2.gz UDXIPADTGLGYRO-KRWDZBQOSA-N 2 1 303.409 3.343 20 0 DGADMP c1ccc(COCCC2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000414092835 546779772 /nfs/dbraw/zinc/77/97/72/546779772.db2.gz GWCRQWLWMILYNB-UHFFFAOYSA-N 2 1 314.473 3.342 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426148172 546810722 /nfs/dbraw/zinc/81/07/22/546810722.db2.gz JYOYRJTVFAKNJG-LSDHHAIUSA-N 2 1 308.466 3.042 20 0 DGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+](C)[C@H](c3ccccc3)C1)C2 ZINC000453379003 546860778 /nfs/dbraw/zinc/86/07/78/546860778.db2.gz ZWZOSNQYJZWRLE-NWJVMNJYSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453379003 546860782 /nfs/dbraw/zinc/86/07/82/546860782.db2.gz ZWZOSNQYJZWRLE-NWJVMNJYSA-N 2 1 313.489 3.037 20 0 DGADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453379003 546860787 /nfs/dbraw/zinc/86/07/87/546860787.db2.gz ZWZOSNQYJZWRLE-NWJVMNJYSA-N 2 1 313.489 3.037 20 0 DGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000470164544 546900122 /nfs/dbraw/zinc/90/01/22/546900122.db2.gz ZJATYNYKCGTVNX-LSDHHAIUSA-N 2 1 310.457 3.333 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000530460312 546976622 /nfs/dbraw/zinc/97/66/22/546976622.db2.gz KABCGRRFQNTWCX-AWEZNQCLSA-N 2 1 307.850 3.443 20 0 DGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551175882 546996770 /nfs/dbraw/zinc/99/67/70/546996770.db2.gz NQGMJGPULWTMLX-HKBOAZHASA-N 2 1 324.468 3.015 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551175882 546996777 /nfs/dbraw/zinc/99/67/77/546996777.db2.gz NQGMJGPULWTMLX-HKBOAZHASA-N 2 1 324.468 3.015 20 0 DGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667819062 547312014 /nfs/dbraw/zinc/31/20/14/547312014.db2.gz KZXMICKCIVTOOB-MISYRCLQSA-N 2 1 314.473 3.056 20 0 DGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CCCC2)CC1 ZINC000667869898 547324747 /nfs/dbraw/zinc/32/47/47/547324747.db2.gz JVIHJNYTAWEQOB-NJAFHUGGSA-N 2 1 306.494 3.188 20 0 DGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccncc3s2)C1 ZINC000668172345 547403274 /nfs/dbraw/zinc/40/32/74/547403274.db2.gz LSZQIDVGQIHSDF-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172345 547403278 /nfs/dbraw/zinc/40/32/78/547403278.db2.gz LSZQIDVGQIHSDF-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccncc3s2)C1 ZINC000668172345 547403281 /nfs/dbraw/zinc/40/32/81/547403281.db2.gz LSZQIDVGQIHSDF-GDBMZVCRSA-N 2 1 301.459 3.212 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194242 547410993 /nfs/dbraw/zinc/41/09/93/547410993.db2.gz BUJUKZSJSUIYOT-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194242 547410997 /nfs/dbraw/zinc/41/09/97/547410997.db2.gz BUJUKZSJSUIYOT-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194242 547411000 /nfs/dbraw/zinc/41/10/00/547411000.db2.gz BUJUKZSJSUIYOT-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4ccncc4s3)C2)C1 ZINC000668194242 547411006 /nfs/dbraw/zinc/41/10/06/547411006.db2.gz BUJUKZSJSUIYOT-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP COC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000668712882 547516801 /nfs/dbraw/zinc/51/68/01/547516801.db2.gz CRUIMXATKOMWBX-LMDPOFIKSA-N 2 1 314.473 3.056 20 0 DGADMP C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784320 547540183 /nfs/dbraw/zinc/54/01/83/547540183.db2.gz BFNRRKMNHYWBFD-DQSGYLJSSA-N 2 1 302.462 3.133 20 0 DGADMP C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784320 547540187 /nfs/dbraw/zinc/54/01/87/547540187.db2.gz BFNRRKMNHYWBFD-DQSGYLJSSA-N 2 1 302.462 3.133 20 0 DGADMP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669709340 547677417 /nfs/dbraw/zinc/67/74/17/547677417.db2.gz UCAHRLLIYNJANC-KKHVKSAZSA-N 2 1 310.363 3.260 20 0 DGADMP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669709340 547677423 /nfs/dbraw/zinc/67/74/23/547677423.db2.gz UCAHRLLIYNJANC-KKHVKSAZSA-N 2 1 310.363 3.260 20 0 DGADMP C[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)(C)C ZINC000670262980 547739927 /nfs/dbraw/zinc/73/99/27/547739927.db2.gz PUOFVOJXWBVEFN-KURKYZTESA-N 2 1 309.542 3.159 20 0 DGADMP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000670266226 547741167 /nfs/dbraw/zinc/74/11/67/547741167.db2.gz MLQQVJJRBOKSMU-INIZCTEOSA-N 2 1 304.478 3.291 20 0 DGADMP C[C@@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269417 547742367 /nfs/dbraw/zinc/74/23/67/547742367.db2.gz CFDZKLCOVZBMCW-FXAWDEMLSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269417 547742372 /nfs/dbraw/zinc/74/23/72/547742372.db2.gz CFDZKLCOVZBMCW-FXAWDEMLSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269417 547742373 /nfs/dbraw/zinc/74/23/73/547742373.db2.gz CFDZKLCOVZBMCW-FXAWDEMLSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670269417 547742375 /nfs/dbraw/zinc/74/23/75/547742375.db2.gz CFDZKLCOVZBMCW-FXAWDEMLSA-N 2 1 318.505 3.237 20 0 DGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(C)(C)O ZINC000671756059 547828914 /nfs/dbraw/zinc/82/89/14/547828914.db2.gz MZOCBCUROXGXDQ-FAEJEUNOSA-N 2 1 304.478 3.179 20 0 DGADMP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881965 548283060 /nfs/dbraw/zinc/28/30/60/548283060.db2.gz OEXGWRRTTVYGOO-XLIONFOSSA-N 2 1 316.489 3.159 20 0 DGADMP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880880 548283386 /nfs/dbraw/zinc/28/33/86/548283386.db2.gz IDTGYHZIPLKIJN-QUCCMNQESA-N 2 1 316.489 3.241 20 0 DGADMP c1cc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881162 548283585 /nfs/dbraw/zinc/28/35/85/548283585.db2.gz KAYNHAMOTNXKCS-NVXWUHKLSA-N 2 1 320.502 3.359 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000676496015 548369935 /nfs/dbraw/zinc/36/99/35/548369935.db2.gz BTYUZTZIWRGBNH-OAHLLOKOSA-N 2 1 300.450 3.021 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000676496015 548369939 /nfs/dbraw/zinc/36/99/39/548369939.db2.gz BTYUZTZIWRGBNH-OAHLLOKOSA-N 2 1 300.450 3.021 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677236914 548472524 /nfs/dbraw/zinc/47/25/24/548472524.db2.gz LGFROFYGGPEWAE-WMZOPIPTSA-N 2 1 315.461 3.142 20 0 DGADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677236914 548472528 /nfs/dbraw/zinc/47/25/28/548472528.db2.gz LGFROFYGGPEWAE-WMZOPIPTSA-N 2 1 315.461 3.142 20 0 DGADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000677240714 548473678 /nfs/dbraw/zinc/47/36/78/548473678.db2.gz IBLYXQIJTGYCOU-KZNAEPCWSA-N 2 1 321.896 3.159 20 0 DGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000677240714 548473684 /nfs/dbraw/zinc/47/36/84/548473684.db2.gz IBLYXQIJTGYCOU-KZNAEPCWSA-N 2 1 321.896 3.159 20 0 DGADMP C[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000677240715 548473984 /nfs/dbraw/zinc/47/39/84/548473984.db2.gz IBLYXQIJTGYCOU-OKZBNKHCSA-N 2 1 321.896 3.159 20 0 DGADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000677240715 548473988 /nfs/dbraw/zinc/47/39/88/548473988.db2.gz IBLYXQIJTGYCOU-OKZBNKHCSA-N 2 1 321.896 3.159 20 0 DGADMP CC[NH+](CC)CC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678139340 548623821 /nfs/dbraw/zinc/62/38/21/548623821.db2.gz SRZPVFXOAIGFCD-UHFFFAOYSA-N 2 1 318.440 3.027 20 0 DGADMP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CC1 ZINC000678263806 548660679 /nfs/dbraw/zinc/66/06/79/548660679.db2.gz OQVDYRTUBGJVQT-UHFFFAOYSA-N 2 1 302.462 3.393 20 0 DGADMP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678281684 548669011 /nfs/dbraw/zinc/66/90/11/548669011.db2.gz SQNGDSCBPZILLR-ROUUACIJSA-N 2 1 314.473 3.361 20 0 DGADMP C[N@@H+](Cc1ccc[nH]1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678294319 548674677 /nfs/dbraw/zinc/67/46/77/548674677.db2.gz HRDPLLAHNSVWQH-UHFFFAOYSA-N 2 1 313.445 3.121 20 0 DGADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678687438 548751054 /nfs/dbraw/zinc/75/10/54/548751054.db2.gz YRFBDGBYWHVJNK-VQTJNVASSA-N 2 1 314.473 3.371 20 0 DGADMP c1csc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000678685642 548751502 /nfs/dbraw/zinc/75/15/02/548751502.db2.gz KBMXWPRTXGWMMW-SJLPKXTDSA-N 2 1 320.502 3.432 20 0 DGADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000678993925 548808785 /nfs/dbraw/zinc/80/87/85/548808785.db2.gz ZCGCPPJCZZJMTA-HXUWFJFHSA-N 2 1 324.468 3.017 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1F ZINC000679361679 548886306 /nfs/dbraw/zinc/88/63/06/548886306.db2.gz UOJUJLJJCHQMLM-VQIMIIECSA-N 2 1 320.452 3.341 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1F ZINC000679361679 548886307 /nfs/dbraw/zinc/88/63/07/548886307.db2.gz UOJUJLJJCHQMLM-VQIMIIECSA-N 2 1 320.452 3.341 20 0 DGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679370598 548887556 /nfs/dbraw/zinc/88/75/56/548887556.db2.gz RWYNJXJRAPAZBA-IZBJGVDFSA-N 2 1 316.489 3.302 20 0 DGADMP COCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680036965 548984135 /nfs/dbraw/zinc/98/41/35/548984135.db2.gz CDWHASYWPZGKKL-IJXRJRJASA-N 2 1 316.489 3.302 20 0 DGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109315 548998656 /nfs/dbraw/zinc/99/86/56/548998656.db2.gz ALVMWHZYWLVVFJ-SJLPKXTDSA-N 2 1 306.425 3.153 20 0 DGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109315 548998662 /nfs/dbraw/zinc/99/86/62/548998662.db2.gz ALVMWHZYWLVVFJ-SJLPKXTDSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109315 548998667 /nfs/dbraw/zinc/99/86/67/548998667.db2.gz ALVMWHZYWLVVFJ-SJLPKXTDSA-N 2 1 306.425 3.153 20 0 DGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109315 548998670 /nfs/dbraw/zinc/99/86/70/548998670.db2.gz ALVMWHZYWLVVFJ-SJLPKXTDSA-N 2 1 306.425 3.153 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680352187 549037655 /nfs/dbraw/zinc/03/76/55/549037655.db2.gz JQFGDXBWRLDQNU-APQLOABGSA-N 2 1 316.489 3.300 20 0 DGADMP CC/C=C\CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000681025812 549148208 /nfs/dbraw/zinc/14/82/08/549148208.db2.gz VTYJLJDVXFFYJR-WAYWQWQTSA-N 2 1 321.553 3.471 20 0 DGADMP CC/C=C\CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000681025812 549148211 /nfs/dbraw/zinc/14/82/11/549148211.db2.gz VTYJLJDVXFFYJR-WAYWQWQTSA-N 3 1 321.553 3.471 20 0 DGADMP CC/C=C\CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000681025812 549148214 /nfs/dbraw/zinc/14/82/14/549148214.db2.gz VTYJLJDVXFFYJR-WAYWQWQTSA-N 3 1 321.553 3.471 20 0 DGADMP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CCCO2)cc1 ZINC000682027840 549277178 /nfs/dbraw/zinc/27/71/78/549277178.db2.gz KCAYRGUXAFDKCG-IBGZPJMESA-N 2 1 302.462 3.326 20 0 DGADMP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CCCO2)cc1 ZINC000682027840 549277181 /nfs/dbraw/zinc/27/71/81/549277181.db2.gz KCAYRGUXAFDKCG-IBGZPJMESA-N 2 1 302.462 3.326 20 0 DGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1OC ZINC000682027351 549277218 /nfs/dbraw/zinc/27/72/18/549277218.db2.gz LKABBDNESHXTTJ-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1OC ZINC000682027351 549277222 /nfs/dbraw/zinc/27/72/22/549277222.db2.gz LKABBDNESHXTTJ-UHFFFAOYSA-N 2 1 306.450 3.012 20 0 DGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000682029268 549277623 /nfs/dbraw/zinc/27/76/23/549277623.db2.gz OLRKRTDSSBEEMI-FQEVSTJZSA-N 2 1 315.505 3.069 20 0 DGADMP CCN(C)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000682996053 549410147 /nfs/dbraw/zinc/41/01/47/549410147.db2.gz WNSDWTWCSSTDDX-UHFFFAOYSA-N 2 1 318.509 3.090 20 0 DGADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683364801 549475034 /nfs/dbraw/zinc/47/50/34/549475034.db2.gz ZUXISBBALMOBQK-INIZCTEOSA-N 2 1 302.462 3.392 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000684551789 549657379 /nfs/dbraw/zinc/65/73/79/549657379.db2.gz GYWYRMMAPSEPBB-RHSMWYFYSA-N 2 1 318.461 3.013 20 0 DGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(C)c1O ZINC000685420463 549756752 /nfs/dbraw/zinc/75/67/52/549756752.db2.gz YMGICPBWJBARBU-HKUYNNGSSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(C)c1O ZINC000685420463 549756754 /nfs/dbraw/zinc/75/67/54/549756754.db2.gz YMGICPBWJBARBU-HKUYNNGSSA-N 2 1 314.473 3.458 20 0 DGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C)c1O ZINC000685420463 549756757 /nfs/dbraw/zinc/75/67/57/549756757.db2.gz YMGICPBWJBARBU-HKUYNNGSSA-N 2 1 314.473 3.458 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573780 549776880 /nfs/dbraw/zinc/77/68/80/549776880.db2.gz XGRCNOZCVVYKOM-QTXLCTLRSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573780 549776885 /nfs/dbraw/zinc/77/68/85/549776885.db2.gz XGRCNOZCVVYKOM-QTXLCTLRSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573780 549776887 /nfs/dbraw/zinc/77/68/87/549776887.db2.gz XGRCNOZCVVYKOM-QTXLCTLRSA-N 2 1 322.880 3.082 20 0 DGADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000685573780 549776891 /nfs/dbraw/zinc/77/68/91/549776891.db2.gz XGRCNOZCVVYKOM-QTXLCTLRSA-N 2 1 322.880 3.082 20 0 DGADMP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733328948 574616213 /nfs/dbraw/zinc/61/62/13/574616213.db2.gz IEOZWQIYNAYDSQ-BBKFTCMMSA-N 2 1 314.473 3.323 20 0 DGADMP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733328951 574616347 /nfs/dbraw/zinc/61/63/47/574616347.db2.gz IEOZWQIYNAYDSQ-QMEWPPBRSA-N 2 1 314.473 3.323 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272027 575041438 /nfs/dbraw/zinc/04/14/38/575041438.db2.gz LYBLLAMYPOINLM-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272027 575041439 /nfs/dbraw/zinc/04/14/39/575041439.db2.gz LYBLLAMYPOINLM-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272027 575041441 /nfs/dbraw/zinc/04/14/41/575041441.db2.gz LYBLLAMYPOINLM-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)C[C@@H]1C ZINC000743272027 575041442 /nfs/dbraw/zinc/04/14/42/575041442.db2.gz LYBLLAMYPOINLM-RRQGHBQHSA-N 2 1 310.869 3.178 20 0 DGADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000729681326 575260012 /nfs/dbraw/zinc/26/00/12/575260012.db2.gz RPAMBMPPXSKQJS-GFCCVEGCSA-N 2 1 307.825 3.279 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cnc2cc(C)c(C)cc21 ZINC000746626342 575465341 /nfs/dbraw/zinc/46/53/41/575465341.db2.gz FEBHRTXWOUWVNY-UHFFFAOYSA-N 2 1 311.433 3.138 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cnc2cc(C)c(C)cc21 ZINC000746626342 575465343 /nfs/dbraw/zinc/46/53/43/575465343.db2.gz FEBHRTXWOUWVNY-UHFFFAOYSA-N 2 1 311.433 3.138 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000746666984 575467723 /nfs/dbraw/zinc/46/77/23/575467723.db2.gz TZYZMEABPZMAMW-IBGZPJMESA-N 2 1 322.468 3.220 20 0 DGADMP COc1cccc2cc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)oc21 ZINC000749287721 575642420 /nfs/dbraw/zinc/64/24/20/575642420.db2.gz NSWLYXACAYPUAX-CABCVRRESA-N 2 1 302.418 3.404 20 0 DGADMP ClC1(Cl)C[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515515 575662071 /nfs/dbraw/zinc/66/20/71/575662071.db2.gz SYOJYAVFNHVJEJ-BZPMIXESSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515515 575662073 /nfs/dbraw/zinc/66/20/73/575662073.db2.gz SYOJYAVFNHVJEJ-BZPMIXESSA-N 2 1 303.277 3.129 20 0 DGADMP ClC1(Cl)C[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749515515 575662076 /nfs/dbraw/zinc/66/20/76/575662076.db2.gz SYOJYAVFNHVJEJ-BZPMIXESSA-N 2 1 303.277 3.129 20 0 DGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000750042097 575699858 /nfs/dbraw/zinc/69/98/58/575699858.db2.gz HMEOSVIQUOYVHG-KRWDZBQOSA-N 2 1 322.387 3.396 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)n1 ZINC000852749265 620645539 /nfs/dbraw/zinc/64/55/39/620645539.db2.gz JWXFVSVHQPHFGX-GJZGRUSLSA-N 2 1 307.869 3.255 20 0 DGADMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)n1 ZINC000852754742 620646126 /nfs/dbraw/zinc/64/61/26/620646126.db2.gz ZNIREWBINKBENS-HNNXBMFYSA-N 2 1 307.869 3.255 20 0 DGADMP C[C@H](SC[C@H]1CCC[N@H+]1C)[C@H](C)SC[C@@H]1CCC[NH+]1C ZINC000917537074 620672649 /nfs/dbraw/zinc/67/26/49/620672649.db2.gz WOWCLSVIVOKZJR-YHUYYLMFSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@H](SC[C@H]1CCC[NH+]1C)[C@H](C)SC[C@@H]1CCC[N@@H+]1C ZINC000917537074 620672650 /nfs/dbraw/zinc/67/26/50/620672650.db2.gz WOWCLSVIVOKZJR-YHUYYLMFSA-N 2 1 316.580 3.418 20 0 DGADMP C[C@H](SC[C@H]1CCC[NH+]1C)[C@H](C)SC[C@@H]1CCC[N@H+]1C ZINC000917537074 620672651 /nfs/dbraw/zinc/67/26/51/620672651.db2.gz WOWCLSVIVOKZJR-YHUYYLMFSA-N 2 1 316.580 3.418 20 0 DGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000891580171 617842666 /nfs/dbraw/zinc/84/26/66/617842666.db2.gz AZIPXAFHQXQXBK-MRXNPFEDSA-N 2 1 304.478 3.290 20 0 DGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000891744960 617888948 /nfs/dbraw/zinc/88/89/48/617888948.db2.gz BXYWIIMBOOQGGX-HUUCEWRRSA-N 2 1 317.315 3.212 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000892186353 617979963 /nfs/dbraw/zinc/97/99/63/617979963.db2.gz ZANLDAMCPHWEFQ-SFHVURJKSA-N 3 1 321.553 3.305 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000919880852 620770276 /nfs/dbraw/zinc/77/02/76/620770276.db2.gz VNKIIZHPMCTZQF-UHFFFAOYSA-N 2 1 303.494 3.239 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000919880852 620770280 /nfs/dbraw/zinc/77/02/80/620770280.db2.gz VNKIIZHPMCTZQF-UHFFFAOYSA-N 2 1 303.494 3.239 20 0 DGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925474425 620771973 /nfs/dbraw/zinc/77/19/73/620771973.db2.gz RAZNGCKEWLRXQZ-IRXDYDNUSA-N 2 1 315.461 3.031 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000892510357 618090040 /nfs/dbraw/zinc/09/00/40/618090040.db2.gz LCYVPOGWLVERQH-ZDUSSCGKSA-N 2 1 303.454 3.012 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000892509744 618090187 /nfs/dbraw/zinc/09/01/87/618090187.db2.gz CRHLYIJGYWYTER-CQSZACIVSA-N 2 1 312.461 3.200 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c(F)c1 ZINC000892586969 618113680 /nfs/dbraw/zinc/11/36/80/618113680.db2.gz OZONJZDFKICXRQ-VQHUDLGKSA-N 2 1 306.400 3.427 20 0 DGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c(F)c1 ZINC000892586969 618113682 /nfs/dbraw/zinc/11/36/82/618113682.db2.gz OZONJZDFKICXRQ-VQHUDLGKSA-N 2 1 306.400 3.427 20 0 DGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cn1 ZINC000892633810 618123306 /nfs/dbraw/zinc/12/33/06/618123306.db2.gz JGQMHQBGXGQKKE-SFHVURJKSA-N 2 1 318.424 3.395 20 0 DGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000920181398 620789299 /nfs/dbraw/zinc/78/92/99/620789299.db2.gz VXRANIPZGWKPQQ-SFHVURJKSA-N 2 1 315.505 3.498 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)nc3c2CCCC3)C1 ZINC000892745484 618299752 /nfs/dbraw/zinc/29/97/52/618299752.db2.gz QLLOXNVLGMYOAD-INIZCTEOSA-N 2 1 301.478 3.090 20 0 DGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000892946648 618363036 /nfs/dbraw/zinc/36/30/36/618363036.db2.gz JGFYDHAERIHXML-QGZVFWFLSA-N 2 1 301.478 3.108 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893020979 618394263 /nfs/dbraw/zinc/39/42/63/618394263.db2.gz RMZCQRRDRHMQJA-AEFFLSMTSA-N 3 1 321.534 3.062 20 0 DGADMP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893020979 618394269 /nfs/dbraw/zinc/39/42/69/618394269.db2.gz RMZCQRRDRHMQJA-AEFFLSMTSA-N 3 1 321.534 3.062 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000893030497 618397893 /nfs/dbraw/zinc/39/78/93/618397893.db2.gz QYHSGFSENCSFNY-UHFFFAOYSA-N 2 1 303.454 3.156 20 0 DGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[C@H](C)C1 ZINC000925078431 618430316 /nfs/dbraw/zinc/43/03/16/618430316.db2.gz MCDPSHGGTJPPEA-MTHXSQLBSA-N 2 1 306.494 3.068 20 0 DGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000925521384 618456636 /nfs/dbraw/zinc/45/66/36/618456636.db2.gz UGSQGEAPFYVOOW-BBRMVZONSA-N 2 1 301.459 3.083 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000925586796 618501384 /nfs/dbraw/zinc/50/13/84/618501384.db2.gz FLIRTEMRTZRJLU-JKSUJKDBSA-N 2 1 305.466 3.109 20 0 DGADMP COc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000925586796 618501387 /nfs/dbraw/zinc/50/13/87/618501387.db2.gz FLIRTEMRTZRJLU-JKSUJKDBSA-N 2 1 305.466 3.109 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000894940041 618502290 /nfs/dbraw/zinc/50/22/90/618502290.db2.gz QGXHREZXUUTGPJ-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NC3CCC(C)([NH+](C)C)CC3)c12 ZINC000895003324 618508236 /nfs/dbraw/zinc/50/82/36/618508236.db2.gz XJROVPHCZYLQTM-UHFFFAOYSA-N 2 1 301.438 3.195 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488191 618570505 /nfs/dbraw/zinc/57/05/05/618570505.db2.gz PTSSGZCGWLUZSF-CABCVRRESA-N 2 1 305.441 3.272 20 0 DGADMP Cc1cc(F)ncc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488191 618570510 /nfs/dbraw/zinc/57/05/10/618570510.db2.gz PTSSGZCGWLUZSF-CABCVRRESA-N 2 1 305.441 3.272 20 0 DGADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(OC)c1OC ZINC000925731919 618585407 /nfs/dbraw/zinc/58/54/07/618585407.db2.gz DNWKJBIOMOLYPM-CWRNSKLLSA-N 2 1 304.434 3.014 20 0 DGADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1)[NH+](C)C ZINC000895297162 618590574 /nfs/dbraw/zinc/59/05/74/618590574.db2.gz UGIIIKDCLPWSAA-GFCCVEGCSA-N 2 1 306.841 3.160 20 0 DGADMP CC1=NO[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895301699 618591876 /nfs/dbraw/zinc/59/18/76/618591876.db2.gz KGJZOJBCRZRQBX-WDSOQIARSA-N 2 1 313.445 3.109 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780581 618617570 /nfs/dbraw/zinc/61/75/70/618617570.db2.gz FUSAPXTUVHLLFT-DZGCQCFKSA-N 2 1 310.388 3.043 20 0 DGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925780183 618617634 /nfs/dbraw/zinc/61/76/34/618617634.db2.gz SBJFTIZFXBAXMD-DZGCQCFKSA-N 2 1 312.404 3.371 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCS2 ZINC000925781426 618618098 /nfs/dbraw/zinc/61/80/98/618618098.db2.gz YMWPCWNVUNKMKA-GXFFZTMASA-N 2 1 316.392 3.197 20 0 DGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780584 618618255 /nfs/dbraw/zinc/61/82/55/618618255.db2.gz FUSAPXTUVHLLFT-HIFRSBDPSA-N 2 1 310.388 3.043 20 0 DGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000925834680 618641645 /nfs/dbraw/zinc/64/16/45/618641645.db2.gz YHBLTORDHBIFLP-NSHDSACASA-N 2 1 316.474 3.035 20 0 DGADMP Cc1cccc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1C ZINC000925843365 618643900 /nfs/dbraw/zinc/64/39/00/618643900.db2.gz FMJOUXJVHZIVOY-SFHVURJKSA-N 2 1 303.494 3.030 20 0 DGADMP CC(C)Cc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000893855869 618666570 /nfs/dbraw/zinc/66/65/70/618666570.db2.gz IHEVCCNYZSKMNB-UHFFFAOYSA-N 2 1 301.478 3.340 20 0 DGADMP Cc1noc2ncc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc12 ZINC000893968054 618685058 /nfs/dbraw/zinc/68/50/58/618685058.db2.gz WBDUKJGKIIAUDK-UHFFFAOYSA-N 2 1 316.449 3.083 20 0 DGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000893998155 618689495 /nfs/dbraw/zinc/68/94/95/618689495.db2.gz BQKKVAKEGHEMHO-UHFFFAOYSA-N 2 1 306.498 3.292 20 0 DGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894086543 618705452 /nfs/dbraw/zinc/70/54/52/618705452.db2.gz IKSDTKZNUWILOW-QGZVFWFLSA-N 2 1 313.489 3.208 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894086543 618705453 /nfs/dbraw/zinc/70/54/53/618705453.db2.gz IKSDTKZNUWILOW-QGZVFWFLSA-N 2 1 313.489 3.208 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894086543 618705454 /nfs/dbraw/zinc/70/54/54/618705454.db2.gz IKSDTKZNUWILOW-QGZVFWFLSA-N 2 1 313.489 3.208 20 0 DGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894086543 618705455 /nfs/dbraw/zinc/70/54/55/618705455.db2.gz IKSDTKZNUWILOW-QGZVFWFLSA-N 2 1 313.489 3.208 20 0 DGADMP C[NH+](C)[C@H]1CCOc2c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cccc21 ZINC000894116362 618713859 /nfs/dbraw/zinc/71/38/59/618713859.db2.gz HLOQPMXZUHBCGB-MUSFGAPCSA-N 2 1 315.461 3.109 20 0 DGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894139551 618718932 /nfs/dbraw/zinc/71/89/32/618718932.db2.gz FTZFBXNXDVHMOE-UHFFFAOYSA-N 2 1 304.438 3.133 20 0 DGADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc(C(C)(C)C)co3)C2)CC1 ZINC000894231761 618734770 /nfs/dbraw/zinc/73/47/70/618734770.db2.gz TXFBMTRGMLFHIF-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(C(C)(C)C)co3)C2)CC1 ZINC000894231761 618734771 /nfs/dbraw/zinc/73/47/71/618734771.db2.gz TXFBMTRGMLFHIF-UHFFFAOYSA-N 2 1 305.466 3.280 20 0 DGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000894252946 618740413 /nfs/dbraw/zinc/74/04/13/618740413.db2.gz DHMCTRXIYMARCW-UHFFFAOYSA-N 2 1 321.509 3.001 20 0 DGADMP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000894282906 618751751 /nfs/dbraw/zinc/75/17/51/618751751.db2.gz LRWDRKPUDBLNRI-HQSKLWIPSA-N 2 1 321.896 3.158 20 0 DGADMP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000924969026 618753051 /nfs/dbraw/zinc/75/30/51/618753051.db2.gz GUNBOUTVFIOOPO-DLBZAZTESA-N 2 1 308.510 3.436 20 0 DGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000895378958 618775847 /nfs/dbraw/zinc/77/58/47/618775847.db2.gz KFOGAWVCSXAFHI-KXBFYZLASA-N 2 1 312.461 3.182 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508129 618792642 /nfs/dbraw/zinc/79/26/42/618792642.db2.gz FSCWOROEMINBHL-CRAIPNDOSA-N 2 1 304.482 3.160 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000895508129 618792643 /nfs/dbraw/zinc/79/26/43/618792643.db2.gz FSCWOROEMINBHL-CRAIPNDOSA-N 2 1 304.482 3.160 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895539710 618796827 /nfs/dbraw/zinc/79/68/27/618796827.db2.gz BUMGAUIGFKCPTE-RARDXLECSA-N 2 1 314.473 3.369 20 0 DGADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895539710 618796829 /nfs/dbraw/zinc/79/68/29/618796829.db2.gz BUMGAUIGFKCPTE-RARDXLECSA-N 2 1 314.473 3.369 20 0 DGADMP CCOc1cncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000895683899 618818402 /nfs/dbraw/zinc/81/84/02/618818402.db2.gz XUJIGMJNHOBUHC-UHFFFAOYSA-N 2 1 305.466 3.178 20 0 DGADMP C[NH+](C)CC[C@@H](Nc1cc[nH+]c2ccsc21)c1cccnc1 ZINC000895892430 618846408 /nfs/dbraw/zinc/84/64/08/618846408.db2.gz XYYDBSLDUOJBLW-CQSZACIVSA-N 2 1 312.442 3.218 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1C[C@]1(C)Br ZINC000896028656 618864973 /nfs/dbraw/zinc/86/49/73/618864973.db2.gz UUWFEQRCDAEEFG-CABCVRRESA-N 2 1 317.315 3.358 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000896058295 618867984 /nfs/dbraw/zinc/86/79/84/618867984.db2.gz MIISGQCBVCGHQA-UONOGXRCSA-N 2 1 315.299 3.110 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000896058294 618868272 /nfs/dbraw/zinc/86/82/72/618868272.db2.gz MIISGQCBVCGHQA-KGLIPLIRSA-N 2 1 315.299 3.110 20 0 DGADMP c1cc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000896233780 618889752 /nfs/dbraw/zinc/88/97/52/618889752.db2.gz WOVJRTKEOYJBMT-FXAWDEMLSA-N 2 1 316.408 3.041 20 0 DGADMP c1cc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000896233780 618889755 /nfs/dbraw/zinc/88/97/55/618889755.db2.gz WOVJRTKEOYJBMT-FXAWDEMLSA-N 2 1 316.408 3.041 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000909613476 619061210 /nfs/dbraw/zinc/06/12/10/619061210.db2.gz YHOCGHNUBYZNAQ-XHSDSOJGSA-N 2 1 317.477 3.256 20 0 DGADMP CC(C)CC[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000925169559 619064928 /nfs/dbraw/zinc/06/49/28/619064928.db2.gz YBUFENYIEOTHMP-YQQQUEKLSA-N 3 1 307.526 3.102 20 0 DGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000898179918 619223424 /nfs/dbraw/zinc/22/34/24/619223424.db2.gz PPOAJROGCBHXET-MRXNPFEDSA-N 2 1 318.509 3.454 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000898272469 619231052 /nfs/dbraw/zinc/23/10/52/619231052.db2.gz WNFDZWGDBWXMMT-UHFFFAOYSA-N 2 1 314.477 3.243 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924663033 619254767 /nfs/dbraw/zinc/25/47/67/619254767.db2.gz XUYXVEICCUZXRC-QZTJIDSGSA-N 2 1 309.542 3.209 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683158 619256903 /nfs/dbraw/zinc/25/69/03/619256903.db2.gz ZHXPYWNYIKSIFY-JCGIZDLHSA-N 2 1 302.462 3.191 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000924683158 619256905 /nfs/dbraw/zinc/25/69/05/619256905.db2.gz ZHXPYWNYIKSIFY-JCGIZDLHSA-N 2 1 302.462 3.191 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)C(C)C)CC1 ZINC000927068038 619261963 /nfs/dbraw/zinc/26/19/63/619261963.db2.gz SMSQESZWPDMCLJ-SFHVURJKSA-N 2 1 306.498 3.217 20 0 DGADMP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898518709 619283413 /nfs/dbraw/zinc/28/34/13/619283413.db2.gz JSZNEBJVNNLDBZ-HUFQQLBRSA-N 2 1 314.473 3.054 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755921 619337143 /nfs/dbraw/zinc/33/71/43/619337143.db2.gz XRLWXPATJMLZMA-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnn2CC2CCC2)C1 ZINC000924755921 619337144 /nfs/dbraw/zinc/33/71/44/619337144.db2.gz XRLWXPATJMLZMA-DOTOQJQBSA-N 2 1 304.482 3.066 20 0 DGADMP CC(C)[NH+](Cc1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1)C(C)C ZINC000900571356 619437605 /nfs/dbraw/zinc/43/76/05/619437605.db2.gz NBORWSBBOWKLPU-GOSISDBHSA-N 2 1 321.513 3.160 20 0 DGADMP C[N@H+](CCC[NH3+])Cc1cc(-c2cccc(Cl)c2Cl)no1 ZINC000901399296 619495919 /nfs/dbraw/zinc/49/59/19/619495919.db2.gz QTENRWPIVUHIJO-UHFFFAOYSA-N 2 1 314.216 3.429 20 0 DGADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2cccc(Cl)c2Cl)no1 ZINC000901399296 619495921 /nfs/dbraw/zinc/49/59/21/619495921.db2.gz QTENRWPIVUHIJO-UHFFFAOYSA-N 2 1 314.216 3.429 20 0 DGADMP C[NH+](C)Cc1ccc(-c2noc(C[N@@H+](C)CC(C)(C)C)n2)cc1 ZINC000901947932 619565662 /nfs/dbraw/zinc/56/56/62/619565662.db2.gz QUIASHGSSWJDLO-UHFFFAOYSA-N 2 1 316.449 3.276 20 0 DGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000902331876 619622462 /nfs/dbraw/zinc/62/24/62/619622462.db2.gz BTODIIXNZKRCHY-KRWDZBQOSA-N 3 1 307.526 3.151 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367408 619623520 /nfs/dbraw/zinc/62/35/20/619623520.db2.gz BVGGIHQBVUKPMK-YESZJQIVSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000902367408 619623522 /nfs/dbraw/zinc/62/35/22/619623522.db2.gz BVGGIHQBVUKPMK-YESZJQIVSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367408 619623524 /nfs/dbraw/zinc/62/35/24/619623524.db2.gz BVGGIHQBVUKPMK-YESZJQIVSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367399 619623678 /nfs/dbraw/zinc/62/36/78/619623678.db2.gz BVGGIHQBVUKPMK-GVDBMIGSSA-N 3 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000902367399 619623680 /nfs/dbraw/zinc/62/36/80/619623680.db2.gz BVGGIHQBVUKPMK-GVDBMIGSSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902367399 619623681 /nfs/dbraw/zinc/62/36/81/619623681.db2.gz BVGGIHQBVUKPMK-GVDBMIGSSA-N 2 1 307.526 3.007 20 0 DGADMP [NH3+]C1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000902407600 619628271 /nfs/dbraw/zinc/62/82/71/619628271.db2.gz RPVPBGJEWCXXGC-ZDUSSCGKSA-N 2 1 300.324 3.117 20 0 DGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nccn1-c1ccccc1 ZINC000902384065 619629307 /nfs/dbraw/zinc/62/93/07/619629307.db2.gz GQBUYMGCIOALKC-HOTGVXAUSA-N 2 1 312.461 3.301 20 0 DGADMP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000902431156 619635091 /nfs/dbraw/zinc/63/50/91/619635091.db2.gz RWHZPQHFNBCLLR-NUEKZKHPSA-N 2 1 308.853 3.359 20 0 DGADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(Br)c1 ZINC000902413768 619637455 /nfs/dbraw/zinc/63/74/55/619637455.db2.gz ONUQPDAVOWMKDP-GFCCVEGCSA-N 2 1 301.203 3.120 20 0 DGADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(Br)c1 ZINC000902413769 619637664 /nfs/dbraw/zinc/63/76/64/619637664.db2.gz ONUQPDAVOWMKDP-LBPRGKRZSA-N 2 1 301.203 3.120 20 0 DGADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1F ZINC000902479041 619638979 /nfs/dbraw/zinc/63/89/79/619638979.db2.gz ZTRBQPCPMCUWOM-QKGUJMCYSA-N 2 1 318.436 3.343 20 0 DGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902731927 619667524 /nfs/dbraw/zinc/66/75/24/619667524.db2.gz SQQZXLIDWABBNH-FUHWJXTLSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902747745 619669363 /nfs/dbraw/zinc/66/93/63/619669363.db2.gz IAKGNUAQFHVIAK-OKYOBFRVSA-N 2 1 306.494 3.188 20 0 DGADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902747745 619669365 /nfs/dbraw/zinc/66/93/65/619669365.db2.gz IAKGNUAQFHVIAK-OKYOBFRVSA-N 2 1 306.494 3.188 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902761558 619671849 /nfs/dbraw/zinc/67/18/49/619671849.db2.gz SKFZAFLUYJMOSX-BHIYHBOVSA-N 2 1 308.510 3.293 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000902819925 619678731 /nfs/dbraw/zinc/67/87/31/619678731.db2.gz XVBPZODNJNEGOI-PWDMQXDWSA-N 2 1 302.462 3.391 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000902819925 619678733 /nfs/dbraw/zinc/67/87/33/619678733.db2.gz XVBPZODNJNEGOI-PWDMQXDWSA-N 2 1 302.462 3.391 20 0 DGADMP C([NH2+]C1C[C@H]2CCC[C@@H]2C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000902862416 619686412 /nfs/dbraw/zinc/68/64/12/619686412.db2.gz HJTCFVXSCJZJPX-IAGOWNOFSA-N 2 1 306.494 3.190 20 0 DGADMP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000902979899 619699267 /nfs/dbraw/zinc/69/92/67/619699267.db2.gz VJDRGNBLNFYPLN-IPJCAIGPSA-N 2 1 318.505 3.187 20 0 DGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091167 619714664 /nfs/dbraw/zinc/71/46/64/619714664.db2.gz OKZXHCDFOVGREM-PNFOFYCQSA-N 2 1 300.446 3.071 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069590 619714907 /nfs/dbraw/zinc/71/49/07/619714907.db2.gz HZERKTQYVFWVEN-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000903069590 619714908 /nfs/dbraw/zinc/71/49/08/619714908.db2.gz HZERKTQYVFWVEN-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP C[C@H]1CCC[C@@](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)([NH+](C)C)C1 ZINC000903072161 619715540 /nfs/dbraw/zinc/71/55/40/619715540.db2.gz CQXXHGPPRFDYDS-AEOXZHQRSA-N 2 1 319.537 3.244 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903123494 619721619 /nfs/dbraw/zinc/72/16/19/619721619.db2.gz AKIWEDDEGIBHJH-FQVATPOOSA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903123494 619721620 /nfs/dbraw/zinc/72/16/20/619721620.db2.gz AKIWEDDEGIBHJH-FQVATPOOSA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123494 619721622 /nfs/dbraw/zinc/72/16/22/619721622.db2.gz AKIWEDDEGIBHJH-FQVATPOOSA-N 2 1 319.537 3.102 20 0 DGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903123494 619721623 /nfs/dbraw/zinc/72/16/23/619721623.db2.gz AKIWEDDEGIBHJH-FQVATPOOSA-N 3 1 319.537 3.102 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903123494 619721625 /nfs/dbraw/zinc/72/16/25/619721625.db2.gz AKIWEDDEGIBHJH-FQVATPOOSA-N 3 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903123494 619721626 /nfs/dbraw/zinc/72/16/26/619721626.db2.gz AKIWEDDEGIBHJH-FQVATPOOSA-N 3 1 319.537 3.102 20 0 DGADMP CC(C)C[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123494 619721627 /nfs/dbraw/zinc/72/16/27/619721627.db2.gz AKIWEDDEGIBHJH-FQVATPOOSA-N 3 1 319.537 3.102 20 0 DGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1OC ZINC000903125541 619722022 /nfs/dbraw/zinc/72/20/22/619722022.db2.gz NEQOCRLWHQSPBP-JQWQUYJUSA-N 2 1 306.494 3.328 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903157545 619726948 /nfs/dbraw/zinc/72/69/48/619726948.db2.gz IWAXGEBRPGTZDP-SDJXIENJSA-N 2 1 316.420 3.397 20 0 DGADMP Fc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903157545 619726949 /nfs/dbraw/zinc/72/69/49/619726949.db2.gz IWAXGEBRPGTZDP-SDJXIENJSA-N 2 1 316.420 3.397 20 0 DGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCOC34CCCC4)C2)cc1 ZINC000903166417 619727721 /nfs/dbraw/zinc/72/77/21/619727721.db2.gz XGVRJGIPGLEZMU-OALUTQOASA-N 2 1 314.473 3.200 20 0 DGADMP Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903169507 619732818 /nfs/dbraw/zinc/73/28/18/619732818.db2.gz BPCCURZHWYPAQK-BUHWKMJWSA-N 2 1 314.473 3.164 20 0 DGADMP COc1c(C)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903196368 619734654 /nfs/dbraw/zinc/73/46/54/619734654.db2.gz NAHDZVYREQRIHP-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP COc1c(C)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903196368 619734655 /nfs/dbraw/zinc/73/46/55/619734655.db2.gz NAHDZVYREQRIHP-ZNXRZULTSA-N 2 1 300.446 3.251 20 0 DGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1([C@H]2CCCCO2)CCC1 ZINC000903213507 619739628 /nfs/dbraw/zinc/73/96/28/619739628.db2.gz RNNFXSAOITVDGF-ZCTYVAAUSA-N 2 1 318.505 3.473 20 0 DGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(C)C ZINC000903252787 619745352 /nfs/dbraw/zinc/74/53/52/619745352.db2.gz GWPQOYNCIGAGBN-TVRKMHQQSA-N 3 1 307.526 3.246 20 0 DGADMP CN1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(C)C ZINC000903252787 619745353 /nfs/dbraw/zinc/74/53/53/619745353.db2.gz GWPQOYNCIGAGBN-TVRKMHQQSA-N 2 1 307.526 3.246 20 0 DGADMP FC1(F)[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)[C@@H]1c1ccccc1 ZINC000903476403 619780305 /nfs/dbraw/zinc/78/03/05/619780305.db2.gz WABWDRVODAGBML-QAETUUGQSA-N 2 1 306.400 3.109 20 0 DGADMP c1ccc([C@@H]2CC[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)O2)cc1 ZINC000903482009 619780759 /nfs/dbraw/zinc/78/07/59/619780759.db2.gz ULEIEPZXMPSSNF-BZSNNMDCSA-N 2 1 300.446 3.171 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482648 619781054 /nfs/dbraw/zinc/78/10/54/619781054.db2.gz OCRPVDLIKBDEQN-HLLBOEOZSA-N 2 1 320.502 3.303 20 0 DGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c(C)nn1 ZINC000903482557 619781081 /nfs/dbraw/zinc/78/10/81/619781081.db2.gz KRWONJIGDXERAU-VQIMIIECSA-N 2 1 316.493 3.213 20 0 DGADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496614 619782327 /nfs/dbraw/zinc/78/23/27/619782327.db2.gz VUCFAWFYRILPSQ-RBSFLKMASA-N 2 1 314.433 3.023 20 0 DGADMP c1ccc([C@@]23C[C@@H]2C[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC000903491152 619782414 /nfs/dbraw/zinc/78/24/14/619782414.db2.gz XPMAPKAFMQJFOB-RTWAWAEBSA-N 2 1 304.437 3.106 20 0 DGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495860 619782478 /nfs/dbraw/zinc/78/24/78/619782478.db2.gz AIPDVXTWRNYSSZ-DGCLKSJQSA-N 2 1 305.447 3.128 20 0 DGADMP c1ccc2sc(C[N@H+](CC[C@H]3CC[NH2+]C3)C3CC3)nc2c1 ZINC000903570246 619784401 /nfs/dbraw/zinc/78/44/01/619784401.db2.gz XOZAQGZBQJDQFA-CYBMUJFWSA-N 2 1 301.459 3.260 20 0 DGADMP c1csc([C@H]2CCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903718401 619803083 /nfs/dbraw/zinc/80/30/83/619803083.db2.gz LXXXEVLEJAXPII-HUUCEWRRSA-N 2 1 306.475 3.044 20 0 DGADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCc2ccccc21 ZINC000903719144 619803114 /nfs/dbraw/zinc/80/31/14/619803114.db2.gz WDCAABVMJUTKLK-HKUYNNGSSA-N 2 1 314.473 3.155 20 0 DGADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000903722467 619803592 /nfs/dbraw/zinc/80/35/92/619803592.db2.gz BDMWHXRLFXDGFM-ROUUACIJSA-N 2 1 306.494 3.190 20 0 DGADMP CC1CCC([N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)CC1 ZINC000903723632 619804094 /nfs/dbraw/zinc/80/40/94/619804094.db2.gz XEXWWIUXOBWFTP-HTWSVDAQSA-N 2 1 306.494 3.188 20 0 DGADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723573 619804310 /nfs/dbraw/zinc/80/43/10/619804310.db2.gz IRDLLLPUZLUFNZ-MSOLQXFVSA-N 2 1 318.436 3.121 20 0 DGADMP Fc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903722929 619804505 /nfs/dbraw/zinc/80/45/05/619804505.db2.gz FJSZRXZMMJDTJD-ZWKOTPCHSA-N 2 1 318.436 3.121 20 0 DGADMP CC(C)[N@H+](Cc1cccs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724883 619804764 /nfs/dbraw/zinc/80/47/64/619804764.db2.gz RTWQZSOMDWBIQZ-OAHLLOKOSA-N 2 1 308.491 3.117 20 0 DGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724944 619804828 /nfs/dbraw/zinc/80/48/28/619804828.db2.gz SVOUIRUIFRKVIZ-GOSISDBHSA-N 2 1 320.452 3.196 20 0 DGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724918 619805150 /nfs/dbraw/zinc/80/51/50/619805150.db2.gz SGRYNCMXXNMZID-UKRRQHHQSA-N 2 1 324.415 3.116 20 0 DGADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903727883 619805696 /nfs/dbraw/zinc/80/56/96/619805696.db2.gz YPSJDNCKMOIYJI-SJLPKXTDSA-N 2 1 302.462 3.092 20 0 DGADMP C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732607 619805883 /nfs/dbraw/zinc/80/58/83/619805883.db2.gz GTVOSARVPDDTEL-QGZVFWFLSA-N 2 1 314.429 3.023 20 0 DGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733933 619807613 /nfs/dbraw/zinc/80/76/13/619807613.db2.gz MZLTVRJTOKKFHY-RBUKOAKNSA-N 2 1 316.489 3.098 20 0 DGADMP CC1CC(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1 ZINC000903765470 619809538 /nfs/dbraw/zinc/80/95/38/619809538.db2.gz HXOPVCXSTFCMRA-UHFFFAOYSA-N 2 1 316.493 3.102 20 0 DGADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903768151 619809918 /nfs/dbraw/zinc/80/99/18/619809918.db2.gz KYBOZUPSUFAVKB-MOPGFXCFSA-N 2 1 314.473 3.025 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903755744 619810527 /nfs/dbraw/zinc/81/05/27/619810527.db2.gz LFPALRBKRJSZKO-LSDHHAIUSA-N 2 1 308.853 3.183 20 0 DGADMP Clc1ccccc1O[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903755744 619810529 /nfs/dbraw/zinc/81/05/29/619810529.db2.gz LFPALRBKRJSZKO-LSDHHAIUSA-N 2 1 308.853 3.183 20 0 DGADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903785954 619813404 /nfs/dbraw/zinc/81/34/04/619813404.db2.gz CMOIQLUPTLOICY-LSDHHAIUSA-N 2 1 319.518 3.201 20 0 DGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H](C(F)(F)F)O2)CCC1 ZINC000903811049 619817869 /nfs/dbraw/zinc/81/78/69/619817869.db2.gz JBFXCXBFSSJLSI-MELADBBJSA-N 2 1 320.399 3.080 20 0 DGADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903889362 619826179 /nfs/dbraw/zinc/82/61/79/619826179.db2.gz RHRJKFRMRMFNOD-XDLUSNJSSA-N 2 1 314.473 3.105 20 0 DGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889349 619826340 /nfs/dbraw/zinc/82/63/40/619826340.db2.gz RGDKOPHMXAHLBQ-MJIXASBWSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889349 619826343 /nfs/dbraw/zinc/82/63/43/619826343.db2.gz RGDKOPHMXAHLBQ-MJIXASBWSA-N 2 1 319.537 3.103 20 0 DGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889349 619826345 /nfs/dbraw/zinc/82/63/45/619826345.db2.gz RGDKOPHMXAHLBQ-MJIXASBWSA-N 3 1 319.537 3.103 20 0 DGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)Cc1ccc(OC)cc1 ZINC000903879630 619827767 /nfs/dbraw/zinc/82/77/67/619827767.db2.gz GEKPWCBTBUCXRF-BPIHKTFHSA-N 2 1 316.489 3.479 20 0 DGADMP C[N@H+](Cc1ccccc1N1CCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878119 619828099 /nfs/dbraw/zinc/82/80/99/619828099.db2.gz QZPOLNQBUMWNQL-JLYLLQBASA-N 2 1 313.489 3.249 20 0 DGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903886265 619828881 /nfs/dbraw/zinc/82/88/81/619828881.db2.gz OKJXOHWCCKCLAA-IPQPSQTFSA-N 2 1 314.473 3.233 20 0 DGADMP Cc1ccccc1[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CO1 ZINC000903894810 619829621 /nfs/dbraw/zinc/82/96/21/619829621.db2.gz FFMHKKCGKACQFN-HBAMERQHSA-N 2 1 314.473 3.287 20 0 DGADMP COc1ccccc1[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903895882 619830009 /nfs/dbraw/zinc/83/00/09/619830009.db2.gz RFANGGDKWOXDRK-YNBOMUFVSA-N 2 1 300.446 3.015 20 0 DGADMP CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000903899649 619830516 /nfs/dbraw/zinc/83/05/16/619830516.db2.gz VMMIIOXDEAZYBV-HXUWFJFHSA-N 2 1 324.468 3.105 20 0 DGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918800 619833702 /nfs/dbraw/zinc/83/37/02/619833702.db2.gz IJLXORMNDJTVER-IHBAFOEMSA-N 2 1 324.472 3.241 20 0 DGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)CC[NH2+]C1 ZINC000903939081 619837798 /nfs/dbraw/zinc/83/77/98/619837798.db2.gz CPEWTYAKMPRPKB-XLIONFOSSA-N 2 1 324.472 3.256 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CCCC1 ZINC000903937332 619838018 /nfs/dbraw/zinc/83/80/18/619838018.db2.gz IGNVPSJTMLZUQM-NSEAXLEKSA-N 3 1 319.537 3.137 20 0 DGADMP FC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000903937096 619838167 /nfs/dbraw/zinc/83/81/67/619838167.db2.gz BEESDTQRPOHRGT-GOSISDBHSA-N 2 1 302.368 3.272 20 0 DGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000903955185 619846479 /nfs/dbraw/zinc/84/64/79/619846479.db2.gz METQYVLUUUFWKX-QGZVFWFLSA-N 2 1 317.383 3.083 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000903976836 619848195 /nfs/dbraw/zinc/84/81/95/619848195.db2.gz CWZAGWXYCCCBNY-GHMZBOCLSA-N 2 1 304.331 3.261 20 0 DGADMP Clc1ccc(NC[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000903988414 619852484 /nfs/dbraw/zinc/85/24/84/619852484.db2.gz QTIUUTUMTLEVAC-INIZCTEOSA-N 2 1 321.896 3.464 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)C1 ZINC000904337571 619912474 /nfs/dbraw/zinc/91/24/74/619912474.db2.gz DHTIDUYCYCPBTK-IMJJTQAJSA-N 2 1 312.417 3.001 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)C1 ZINC000904315375 619912685 /nfs/dbraw/zinc/91/26/85/619912685.db2.gz AVNWBDWMGILAJF-WOVMCDHWSA-N 2 1 300.446 3.103 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326778 619913753 /nfs/dbraw/zinc/91/37/53/619913753.db2.gz SCSSPHWNZPYGKL-PBHICJAKSA-N 2 1 307.507 3.404 20 0 DGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904326778 619913755 /nfs/dbraw/zinc/91/37/55/619913755.db2.gz SCSSPHWNZPYGKL-PBHICJAKSA-N 2 1 307.507 3.404 20 0 DGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000904342420 619914661 /nfs/dbraw/zinc/91/46/61/619914661.db2.gz GYPLRMXLTCBQJF-ZOWXZIJZSA-N 2 1 309.251 3.323 20 0 DGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1)C1CCCC1 ZINC000904385599 619918973 /nfs/dbraw/zinc/91/89/73/619918973.db2.gz ZWUAOGAKCZBQHI-CRAIPNDOSA-N 2 1 316.493 3.338 20 0 DGADMP CC(C)(C[NH3+])C1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000904445593 619922990 /nfs/dbraw/zinc/92/29/90/619922990.db2.gz ZSHDJFMNQCTYAP-UHFFFAOYSA-N 2 1 300.368 3.301 20 0 DGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904598824 619935504 /nfs/dbraw/zinc/93/55/04/619935504.db2.gz ROVRVDPMFVDDKD-CQSZACIVSA-N 2 1 320.481 3.122 20 0 DGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000909927228 620262257 /nfs/dbraw/zinc/26/22/57/620262257.db2.gz NPFOBUWDYOXPGW-KRWDZBQOSA-N 2 1 317.477 3.117 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852567177 620630608 /nfs/dbraw/zinc/63/06/08/620630608.db2.gz QPHKJNSXMXLYBQ-PKOBYXMFSA-N 2 1 312.461 3.368 20 0 DGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921531783 620903717 /nfs/dbraw/zinc/90/37/17/620903717.db2.gz CWNXJIWHDOPNQL-INIZCTEOSA-N 2 1 304.482 3.210 20 0 DGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921538357 620904537 /nfs/dbraw/zinc/90/45/37/620904537.db2.gz WHDYONKQRBMYFS-HZPDHXFCSA-N 2 1 304.482 3.066 20 0 DGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921541611 620905071 /nfs/dbraw/zinc/90/50/71/620905071.db2.gz IXLPLARZVJMBJY-INDMIFKZSA-N 2 1 308.510 3.292 20 0 DGADMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C2CCCC2)n1 ZINC000921562011 620909938 /nfs/dbraw/zinc/90/99/38/620909938.db2.gz GERJFINGLNNPSQ-UHFFFAOYSA-N 2 1 318.509 3.430 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2O1 ZINC000921612812 620913974 /nfs/dbraw/zinc/91/39/74/620913974.db2.gz WJHGQGTVHKRBJI-CQSZACIVSA-N 2 1 300.446 3.117 20 0 DGADMP c1nn(C2CCC2)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000921623283 620917042 /nfs/dbraw/zinc/91/70/42/620917042.db2.gz VCZNZLPVCNIFQI-UHFFFAOYSA-N 2 1 316.493 3.352 20 0 DGADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(Oc3ccccn3)c1)C2 ZINC000921630211 620918059 /nfs/dbraw/zinc/91/80/59/620918059.db2.gz GJPJFZXWEGBTLN-MRXNPFEDSA-N 2 1 320.396 3.175 20 0 DGADMP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000921811139 620953268 /nfs/dbraw/zinc/95/32/68/620953268.db2.gz ZDYHZTRMFWYPLS-IAGOWNOFSA-N 2 1 314.539 3.140 20 0 DGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000922076568 620986062 /nfs/dbraw/zinc/98/60/62/620986062.db2.gz IBOFOSCUWVGTMZ-GOSISDBHSA-N 2 1 324.472 3.220 20 0 DGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000922076568 620986065 /nfs/dbraw/zinc/98/60/65/620986065.db2.gz IBOFOSCUWVGTMZ-GOSISDBHSA-N 2 1 324.472 3.220 20 0 DGADMP C[C@@H]1Cc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2O1 ZINC000922081026 620986473 /nfs/dbraw/zinc/98/64/73/620986473.db2.gz HVIZIXMNGFBZOR-RWBZWWBESA-N 2 1 300.446 3.117 20 0 DGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182031 621002080 /nfs/dbraw/zinc/00/20/80/621002080.db2.gz DREIFLYKMILMIL-MLHJIOFPSA-N 2 1 319.518 3.338 20 0 DGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000922182031 621002084 /nfs/dbraw/zinc/00/20/84/621002084.db2.gz DREIFLYKMILMIL-MLHJIOFPSA-N 2 1 319.518 3.338 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3CC3)C2)ccn1 ZINC000856600617 621007033 /nfs/dbraw/zinc/00/70/33/621007033.db2.gz VMWLQINDQYJZGH-IBGZPJMESA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3CC3)C2)ccn1 ZINC000856600617 621007036 /nfs/dbraw/zinc/00/70/36/621007036.db2.gz VMWLQINDQYJZGH-IBGZPJMESA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC3CC3)C2)ccn1 ZINC000856600617 621007040 /nfs/dbraw/zinc/00/70/40/621007040.db2.gz VMWLQINDQYJZGH-IBGZPJMESA-N 2 1 317.477 3.175 20 0 DGADMP CC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605753 621007238 /nfs/dbraw/zinc/00/72/38/621007238.db2.gz YODDCHSOABVFJV-CRAIPNDOSA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605753 621007240 /nfs/dbraw/zinc/00/72/40/621007240.db2.gz YODDCHSOABVFJV-CRAIPNDOSA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856605753 621007241 /nfs/dbraw/zinc/00/72/41/621007241.db2.gz YODDCHSOABVFJV-CRAIPNDOSA-N 2 1 305.466 3.173 20 0 DGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCC3)C2)ccn1 ZINC000856598545 621007277 /nfs/dbraw/zinc/00/72/77/621007277.db2.gz BNPVQXQMHCTWDC-IBGZPJMESA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CCC3)C2)ccn1 ZINC000856598545 621007281 /nfs/dbraw/zinc/00/72/81/621007281.db2.gz BNPVQXQMHCTWDC-IBGZPJMESA-N 2 1 317.477 3.175 20 0 DGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCC3)C2)ccn1 ZINC000856598545 621007284 /nfs/dbraw/zinc/00/72/84/621007284.db2.gz BNPVQXQMHCTWDC-IBGZPJMESA-N 2 1 317.477 3.175 20 0 DGADMP CC[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605755 621007522 /nfs/dbraw/zinc/00/75/22/621007522.db2.gz YODDCHSOABVFJV-MAUKXSAKSA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605755 621007527 /nfs/dbraw/zinc/00/75/27/621007527.db2.gz YODDCHSOABVFJV-MAUKXSAKSA-N 2 1 305.466 3.173 20 0 DGADMP CC[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856605755 621007530 /nfs/dbraw/zinc/00/75/30/621007530.db2.gz YODDCHSOABVFJV-MAUKXSAKSA-N 2 1 305.466 3.173 20 0 DGADMP Fc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000922705735 621086843 /nfs/dbraw/zinc/08/68/43/621086843.db2.gz JVNIQDKJJQOXGK-QZTJIDSGSA-N 2 1 302.437 3.464 20 0 DGADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000857856697 621123612 /nfs/dbraw/zinc/12/36/12/621123612.db2.gz NTZGCFHMOBSRMQ-JCYILVPMSA-N 2 1 302.466 3.174 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857905080 621129775 /nfs/dbraw/zinc/12/97/75/621129775.db2.gz XNHOUXVBCYTNPH-BXUZGUMPSA-N 2 1 304.825 3.153 20 0 DGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CCCC1 ZINC000857909776 621130639 /nfs/dbraw/zinc/13/06/39/621130639.db2.gz BARLXICBTJPNOA-CQSZACIVSA-N 2 1 307.869 3.434 20 0 DGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000923297775 621173108 /nfs/dbraw/zinc/17/31/08/621173108.db2.gz PXDKYSULNUXALT-CABCVRRESA-N 2 1 318.383 3.044 20 0 DGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000923297778 621173208 /nfs/dbraw/zinc/17/32/08/621173208.db2.gz PXDKYSULNUXALT-LSDHHAIUSA-N 2 1 318.383 3.044 20 0 DGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923312971 621174364 /nfs/dbraw/zinc/17/43/64/621174364.db2.gz ACPREIHCZNSCBF-KCBNDJSGSA-N 2 1 314.473 3.405 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923329892 621175921 /nfs/dbraw/zinc/17/59/21/621175921.db2.gz QWTXVEGLRACUBJ-VTHDOGFWSA-N 2 1 324.468 3.087 20 0 DGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nc(-c2ccccc2)c[nH]1 ZINC000923371110 621179640 /nfs/dbraw/zinc/17/96/40/621179640.db2.gz OZWBFVMQEAGFIA-ZNXRZULTSA-N 2 1 324.472 3.429 20 0 DGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(CO)c2)[C@H]1c1cccs1 ZINC000858422861 621188405 /nfs/dbraw/zinc/18/84/05/621188405.db2.gz QYEYZVZCYGNQQR-GUYCJALGSA-N 2 1 317.458 3.130 20 0 DGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923498095 621188617 /nfs/dbraw/zinc/18/86/17/621188617.db2.gz JBHMZPMAMJXWAN-QLFBSQMISA-N 2 1 314.433 3.023 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923496902 621188693 /nfs/dbraw/zinc/18/86/93/621188693.db2.gz KDYLJGYCSGJAAK-YPMHNXCESA-N 2 1 300.418 3.418 20 0 DGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499872 621189227 /nfs/dbraw/zinc/18/92/27/621189227.db2.gz MTOFTHKOXYPCJU-YPMHNXCESA-N 2 1 305.447 3.128 20 0 DGADMP CC[N@@H+](CCC1CCN(c2cc[nH+]c(CO)c2)CC1)CC(C)C ZINC000858467385 621194331 /nfs/dbraw/zinc/19/43/31/621194331.db2.gz VYEFAHCSOQVZCY-UHFFFAOYSA-N 2 1 319.493 3.158 20 0 DGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858491141 621197680 /nfs/dbraw/zinc/19/76/80/621197680.db2.gz YWLRETHETUUEEO-CRAIPNDOSA-N 2 1 302.462 3.394 20 0 DGADMP Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859215238 621261043 /nfs/dbraw/zinc/26/10/43/621261043.db2.gz ZPQFNSJMEFPYSW-FQEVSTJZSA-N 2 1 312.457 3.222 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCOCC(F)(F)F)cc1 ZINC000859214905 621261113 /nfs/dbraw/zinc/26/11/13/621261113.db2.gz QWHYVFUPBRIHBP-UHFFFAOYSA-N 2 1 318.383 3.149 20 0 DGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000839183299 621344494 /nfs/dbraw/zinc/34/44/94/621344494.db2.gz WBZXJSIKOOWHMD-HNNXBMFYSA-N 2 1 318.461 3.153 20 0 DGADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839650213 621704018 /nfs/dbraw/zinc/70/40/18/621704018.db2.gz KMBRGABZLVAWRX-SLFFLAALSA-N 2 1 316.489 3.101 20 0 DGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839650213 621704021 /nfs/dbraw/zinc/70/40/21/621704021.db2.gz KMBRGABZLVAWRX-SLFFLAALSA-N 2 1 316.489 3.101 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865416322 621915097 /nfs/dbraw/zinc/91/50/97/621915097.db2.gz XOCDUWQOVQUCNT-AWEZNQCLSA-N 2 1 317.433 3.278 20 0 DGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865428458 621918186 /nfs/dbraw/zinc/91/81/86/621918186.db2.gz VCLPKUKUIRIXQQ-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865428458 621918189 /nfs/dbraw/zinc/91/81/89/621918189.db2.gz VCLPKUKUIRIXQQ-CQSZACIVSA-N 2 1 301.409 3.195 20 0 DGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000865435138 621920307 /nfs/dbraw/zinc/92/03/07/621920307.db2.gz YLOQKLHYCSPXMP-UHFFFAOYSA-N 2 1 306.425 3.331 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865476050 621929658 /nfs/dbraw/zinc/92/96/58/621929658.db2.gz RSTVHYLYTUCHER-UHFFFAOYSA-N 2 1 312.392 3.449 20 0 DGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865568012 621953101 /nfs/dbraw/zinc/95/31/01/621953101.db2.gz WQJVMHIKSCAOQH-GFCCVEGCSA-N 2 1 301.356 3.269 20 0 DGADMP Cc1ccc(N2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)cc1 ZINC000760821751 621967391 /nfs/dbraw/zinc/96/73/91/621967391.db2.gz KFSJOTLTUMNNGK-LJQANCHMSA-N 2 1 315.505 3.382 20 0 DGADMP Cc1ccc(N2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)cc1 ZINC000760821751 621967394 /nfs/dbraw/zinc/96/73/94/621967394.db2.gz KFSJOTLTUMNNGK-LJQANCHMSA-N 2 1 315.505 3.382 20 0 DGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(C)cc1 ZINC000760865779 621969584 /nfs/dbraw/zinc/96/95/84/621969584.db2.gz VITZCSXURQVFKI-RBUKOAKNSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(C)cc1 ZINC000760865779 621969586 /nfs/dbraw/zinc/96/95/86/621969586.db2.gz VITZCSXURQVFKI-RBUKOAKNSA-N 2 1 304.478 3.225 20 0 DGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(C)cc1 ZINC000760865779 621969588 /nfs/dbraw/zinc/96/95/88/621969588.db2.gz VITZCSXURQVFKI-RBUKOAKNSA-N 2 1 304.478 3.225 20 0 DGADMP O[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000865875947 622013731 /nfs/dbraw/zinc/01/37/31/622013731.db2.gz MSWQSZLBVZBINH-FQEVSTJZSA-N 2 1 316.489 3.182 20 0 DGADMP COCCN(CC1CC[NH+](C)CC1)c1cc[nH+]c2ccsc21 ZINC000865997662 622030366 /nfs/dbraw/zinc/03/03/66/622030366.db2.gz KKLBBDHDFZUCQA-UHFFFAOYSA-N 2 1 319.474 3.091 20 0 DGADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000866300142 622088229 /nfs/dbraw/zinc/08/82/29/622088229.db2.gz SNSMNYJOKSGUCJ-ZIFCJYIRSA-N 2 1 319.493 3.258 20 0 DGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000866341236 622098102 /nfs/dbraw/zinc/09/81/02/622098102.db2.gz KZWODPBAAGTHQY-FQEVSTJZSA-N 2 1 320.440 3.321 20 0 DGADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590938 622142972 /nfs/dbraw/zinc/14/29/72/622142972.db2.gz YOZHCDWLDXSOIT-HNNXBMFYSA-N 2 1 321.896 3.113 20 0 DGADMP COc1ccccc1[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000866717790 622159669 /nfs/dbraw/zinc/15/96/69/622159669.db2.gz OZAGGKILRLRIJO-SJORKVTESA-N 2 1 302.462 3.264 20 0 DGADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)C1 ZINC000765453038 622265916 /nfs/dbraw/zinc/26/59/16/622265916.db2.gz JJPAWMAIYACFNR-PXNSSMCTSA-N 2 1 321.553 3.351 20 0 DGADMP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765980505 622298512 /nfs/dbraw/zinc/29/85/12/622298512.db2.gz ZZKVZIRKNQRKGT-GOEBONIOSA-N 2 1 314.539 3.140 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H](NCc2c(C)cccc2F)[C@@H](C)C1 ZINC000766217354 622312777 /nfs/dbraw/zinc/31/27/77/622312777.db2.gz YOUMEVMDMVXAIA-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2F)[C@@H](C)C1 ZINC000766217354 622312781 /nfs/dbraw/zinc/31/27/81/622312781.db2.gz YOUMEVMDMVXAIA-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2F)[C@@H](C)C1 ZINC000766217354 622312782 /nfs/dbraw/zinc/31/27/82/622312782.db2.gz YOUMEVMDMVXAIA-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOc2ccccc2F)cc1 ZINC000768213395 622445712 /nfs/dbraw/zinc/44/57/12/622445712.db2.gz RYTMDBNKUCWQHZ-UHFFFAOYSA-N 2 1 316.420 3.398 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000769492607 622533628 /nfs/dbraw/zinc/53/36/28/622533628.db2.gz ALIQWAMGXQWAQD-MRXNPFEDSA-N 2 1 318.461 3.153 20 0 DGADMP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000769874073 622570766 /nfs/dbraw/zinc/57/07/66/622570766.db2.gz MDYUYKCUGHYBJK-ZNMIVQPWSA-N 2 1 323.481 3.085 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769971051 622583497 /nfs/dbraw/zinc/58/34/97/622583497.db2.gz XDCCYWGAGYQYLC-LNLFQRSKSA-N 2 1 314.473 3.134 20 0 DGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000769971051 622583500 /nfs/dbraw/zinc/58/35/00/622583500.db2.gz XDCCYWGAGYQYLC-LNLFQRSKSA-N 2 1 314.473 3.134 20 0 DGADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(O)c1F ZINC000872022279 622756720 /nfs/dbraw/zinc/75/67/20/622756720.db2.gz WUMIWWWXHODKHE-ZDUSSCGKSA-N 2 1 302.393 3.444 20 0 DGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000872035176 622765454 /nfs/dbraw/zinc/76/54/54/622765454.db2.gz NKTIYTWIXALUAD-ZFWWWQNUSA-N 2 1 322.415 3.341 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1C(F)(F)F ZINC000872148579 622833413 /nfs/dbraw/zinc/83/34/13/622833413.db2.gz KHFZXBQKXPXEFF-CVEARBPZSA-N 2 1 308.347 3.409 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1C(F)(F)F ZINC000872148579 622833417 /nfs/dbraw/zinc/83/34/17/622833417.db2.gz KHFZXBQKXPXEFF-CVEARBPZSA-N 2 1 308.347 3.409 20 0 DGADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOc1ccc3ccccc3c1)C2 ZINC000872153758 622834802 /nfs/dbraw/zinc/83/48/02/622834802.db2.gz OYLQIZRABYRTQV-AZUAARDMSA-N 2 1 310.441 3.150 20 0 DGADMP CC(C)Oc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872151338 622835315 /nfs/dbraw/zinc/83/53/15/622835315.db2.gz VGLMFGSYUQGCQW-ZFWWWQNUSA-N 2 1 316.367 3.043 20 0 DGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872151338 622835320 /nfs/dbraw/zinc/83/53/20/622835320.db2.gz VGLMFGSYUQGCQW-ZFWWWQNUSA-N 2 1 316.367 3.043 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)C[C@@H]1C(F)(F)F ZINC000872151313 622835395 /nfs/dbraw/zinc/83/53/95/622835395.db2.gz VBBDCLARSKIRCR-IRXDYDNUSA-N 2 1 322.374 3.451 20 0 DGADMP COC(=O)c1ccc(Cl)c(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155549 622836836 /nfs/dbraw/zinc/83/68/36/622836836.db2.gz PUHMIPNQFWUXAR-UHFFFAOYSA-N 2 1 312.841 3.078 20 0 DGADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156096 622837170 /nfs/dbraw/zinc/83/71/70/622837170.db2.gz DRWAGNNRBNHJTM-SJLPKXTDSA-N 2 1 324.509 3.339 20 0 DGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872157547 622837816 /nfs/dbraw/zinc/83/78/16/622837816.db2.gz PLBMBUQTSNLCAO-QGZVFWFLSA-N 2 1 305.466 3.163 20 0 DGADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000872156634 622838571 /nfs/dbraw/zinc/83/85/71/622838571.db2.gz BLYMWCLVUKYXDR-QGZVFWFLSA-N 2 1 320.502 3.175 20 0 DGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872156401 622839283 /nfs/dbraw/zinc/83/92/83/622839283.db2.gz JBBHWGWQQARMKK-SFHVURJKSA-N 2 1 319.493 3.187 20 0 DGADMP CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158674 622840193 /nfs/dbraw/zinc/84/01/93/622840193.db2.gz WVZKMRCCNQNMSF-LZWOXQAQSA-N 2 1 319.497 3.048 20 0 DGADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)[nH]1 ZINC000872158674 622840199 /nfs/dbraw/zinc/84/01/99/622840199.db2.gz WVZKMRCCNQNMSF-LZWOXQAQSA-N 2 1 319.497 3.048 20 0 DGADMP c1c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)sc2c1C[NH2+]CC2 ZINC000872255305 622868392 /nfs/dbraw/zinc/86/83/92/622868392.db2.gz AXRARBKCVQZSQT-INIZCTEOSA-N 2 1 320.502 3.317 20 0 DGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccon3)cc2)CC1 ZINC000873089605 623034060 /nfs/dbraw/zinc/03/40/60/623034060.db2.gz JHQDGCIEZRXBHU-UHFFFAOYSA-N 2 1 314.433 3.065 20 0 DGADMP CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCCO1 ZINC000873205792 623074082 /nfs/dbraw/zinc/07/40/82/623074082.db2.gz XEBTWLAWJQAIEQ-OAHLLOKOSA-N 2 1 308.491 3.175 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221171 623078979 /nfs/dbraw/zinc/07/89/79/623078979.db2.gz OCHFZXAZPBRZKH-MBOZVWFJSA-N 3 1 315.505 3.017 20 0 DGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221171 623078987 /nfs/dbraw/zinc/07/89/87/623078987.db2.gz OCHFZXAZPBRZKH-MBOZVWFJSA-N 3 1 315.505 3.017 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873222687 623080363 /nfs/dbraw/zinc/08/03/63/623080363.db2.gz AWFFIDYNWAHRBE-IBGZPJMESA-N 2 1 320.525 3.452 20 0 DGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000873229099 623082693 /nfs/dbraw/zinc/08/26/93/623082693.db2.gz XBXYZYKKVPYHLH-AAEUAGOBSA-N 2 1 314.376 3.470 20 0 DGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000873229099 623082698 /nfs/dbraw/zinc/08/26/98/623082698.db2.gz XBXYZYKKVPYHLH-AAEUAGOBSA-N 2 1 314.376 3.470 20 0 DGADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231632 623084582 /nfs/dbraw/zinc/08/45/82/623084582.db2.gz TVRDIHDFQLGDJR-VQIMIIECSA-N 2 1 318.509 3.157 20 0 DGADMP Nc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000873287614 623103598 /nfs/dbraw/zinc/10/35/98/623103598.db2.gz GRXBLPIXMUATBP-UHFFFAOYSA-N 2 1 313.420 3.162 20 0 DGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000774528364 623156514 /nfs/dbraw/zinc/15/65/14/623156514.db2.gz CXDQDWCBCBLRRM-CYBMUJFWSA-N 2 1 308.385 3.351 20 0 DGADMP C[C@@H](SC[C@H]1CC[N@@H+](C)C1)[C@H](C)SC[C@@H]1CC[NH+](C)C1 ZINC000790284132 625628168 /nfs/dbraw/zinc/62/81/68/625628168.db2.gz ULYPEYRDBRYRHC-SYMSYNOKSA-N 2 1 316.580 3.133 20 0 DGADMP C[C@@H](SC[C@H]1CC[NH+](C)C1)[C@H](C)SC[C@@H]1CC[N@H+](C)C1 ZINC000790284132 625628170 /nfs/dbraw/zinc/62/81/70/625628170.db2.gz ULYPEYRDBRYRHC-SYMSYNOKSA-N 2 1 316.580 3.133 20 0 DGADMP C[C@@H](SC[C@H]1CC[NH+](C)C1)[C@H](C)SC[C@@H]1CC[N@@H+](C)C1 ZINC000790284132 625628174 /nfs/dbraw/zinc/62/81/74/625628174.db2.gz ULYPEYRDBRYRHC-SYMSYNOKSA-N 2 1 316.580 3.133 20 0 DGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000775004133 623215402 /nfs/dbraw/zinc/21/54/02/623215402.db2.gz BDQACGJIBOKVFP-IUODEOHRSA-N 2 1 311.267 3.330 20 0 DGADMP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000777545476 623539291 /nfs/dbraw/zinc/53/92/91/623539291.db2.gz SIIVYIZYTNWRLP-FUHWJXTLSA-N 2 1 319.493 3.302 20 0 DGADMP FC(F)(F)Oc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000021519808 623566898 /nfs/dbraw/zinc/56/68/98/623566898.db2.gz KYPLNMNNRNDFPO-UHFFFAOYSA-N 2 1 302.340 3.161 20 0 DGADMP Fc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc12 ZINC000876756993 623699113 /nfs/dbraw/zinc/69/91/13/623699113.db2.gz CAMHHIGNZXTCMO-HNNXBMFYSA-N 2 1 313.420 3.292 20 0 DGADMP Fc1cccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc12 ZINC000876756993 623699118 /nfs/dbraw/zinc/69/91/18/623699118.db2.gz CAMHHIGNZXTCMO-HNNXBMFYSA-N 2 1 313.420 3.292 20 0 DGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765535 623701571 /nfs/dbraw/zinc/70/15/71/623701571.db2.gz SSHJSAIFPARTFY-BBRMVZONSA-N 2 1 301.409 3.288 20 0 DGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CCN1C ZINC000876765535 623701577 /nfs/dbraw/zinc/70/15/77/623701577.db2.gz SSHJSAIFPARTFY-BBRMVZONSA-N 2 1 301.409 3.288 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CCC2)cc1 ZINC000779022562 623722304 /nfs/dbraw/zinc/72/23/04/623722304.db2.gz UEIUWXBIKSHUHH-HSALFYBXSA-N 2 1 314.473 3.289 20 0 DGADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CCC2)cc1 ZINC000779022562 623722305 /nfs/dbraw/zinc/72/23/05/623722305.db2.gz UEIUWXBIKSHUHH-HSALFYBXSA-N 2 1 314.473 3.289 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000876932598 623747754 /nfs/dbraw/zinc/74/77/54/623747754.db2.gz PXTALXHKMKZSGJ-OSAWLIQMSA-N 2 1 318.442 3.419 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876932598 623747758 /nfs/dbraw/zinc/74/77/58/623747758.db2.gz PXTALXHKMKZSGJ-OSAWLIQMSA-N 2 1 318.442 3.419 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876988805 623760387 /nfs/dbraw/zinc/76/03/87/623760387.db2.gz MOSWCPBVXBZHRJ-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000876988805 623760391 /nfs/dbraw/zinc/76/03/91/623760391.db2.gz MOSWCPBVXBZHRJ-LBPRGKRZSA-N 2 1 307.825 3.303 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000877015470 623766297 /nfs/dbraw/zinc/76/62/97/623766297.db2.gz QVAQLZXILLOJKS-VBKZILBWSA-N 2 1 304.415 3.173 20 0 DGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000877015470 623766300 /nfs/dbraw/zinc/76/63/00/623766300.db2.gz QVAQLZXILLOJKS-VBKZILBWSA-N 2 1 304.415 3.173 20 0 DGADMP OCCCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877138366 623803940 /nfs/dbraw/zinc/80/39/40/623803940.db2.gz WMNBRQFYOJJGMS-QUCCMNQESA-N 2 1 316.489 3.497 20 0 DGADMP OCCCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877138366 623803949 /nfs/dbraw/zinc/80/39/49/623803949.db2.gz WMNBRQFYOJJGMS-QUCCMNQESA-N 2 1 316.489 3.497 20 0 DGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780293323 623906377 /nfs/dbraw/zinc/90/63/77/623906377.db2.gz SDMDMONMBWMNIX-RBUKOAKNSA-N 2 1 316.489 3.149 20 0 DGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000877584852 623951819 /nfs/dbraw/zinc/95/18/19/623951819.db2.gz JUGMJHYCFFHNLD-MDOVXXIYSA-N 2 1 304.415 3.031 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)[C@H](c2ccccc2)C1 ZINC000877606965 623959748 /nfs/dbraw/zinc/95/97/48/623959748.db2.gz RBPYNSOXULMJGX-KFWWJZLASA-N 2 1 313.272 3.115 20 0 DGADMP COCC[N@H+](Cc1coc2ccccc12)CC1CC[NH+](C)CC1 ZINC000877664250 623983799 /nfs/dbraw/zinc/98/37/99/623983799.db2.gz LCXCYRAOWBIEPT-UHFFFAOYSA-N 2 1 316.445 3.223 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000877665612 623983943 /nfs/dbraw/zinc/98/39/43/623983943.db2.gz CGZXISKOHFBHFC-PXZKZTPFSA-N 2 1 308.416 3.388 20 0 DGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC000878157138 624192052 /nfs/dbraw/zinc/19/20/52/624192052.db2.gz VYULLRDDKMODGL-HZPDHXFCSA-N 2 1 300.437 3.476 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCSC(C)(C)C ZINC000878288042 624237220 /nfs/dbraw/zinc/23/72/20/624237220.db2.gz MRNIFQKZFWKQGJ-PMPSAXMXSA-N 2 1 314.539 3.092 20 0 DGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)CC(C)(C)C ZINC000878324861 624245676 /nfs/dbraw/zinc/24/56/76/624245676.db2.gz PJHVSQUTYXKYSB-KSZLIROESA-N 2 1 309.542 3.017 20 0 DGADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412232 624271121 /nfs/dbraw/zinc/27/11/21/624271121.db2.gz TXFYTJVZFVUSCE-LZLYRXPVSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412230 624271191 /nfs/dbraw/zinc/27/11/91/624271191.db2.gz TXFYTJVZFVUSCE-BQFCYCMXSA-N 2 1 306.494 3.331 20 0 DGADMP CCOCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000782958928 624294828 /nfs/dbraw/zinc/29/48/28/624294828.db2.gz IOGHSUAAPHDVOL-SFHVURJKSA-N 2 1 320.477 3.269 20 0 DGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]3C)CC2)cs1 ZINC000783242004 624329152 /nfs/dbraw/zinc/32/91/52/624329152.db2.gz YXBRGAOPCHNPNB-CZUORRHYSA-N 2 1 307.507 3.306 20 0 DGADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 ZINC000878667798 624335994 /nfs/dbraw/zinc/33/59/94/624335994.db2.gz BFZXNTYCAJZNHE-YSIASYRMSA-N 2 1 314.473 3.198 20 0 DGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000879210228 624452129 /nfs/dbraw/zinc/45/21/29/624452129.db2.gz WYZMGMZSQHJCMD-BZSNNMDCSA-N 2 1 306.494 3.284 20 0 DGADMP Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000784381659 624515729 /nfs/dbraw/zinc/51/57/29/624515729.db2.gz UQPIUEGXDZZMSK-ICSRJNTNSA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000784381659 624515734 /nfs/dbraw/zinc/51/57/34/624515734.db2.gz UQPIUEGXDZZMSK-ICSRJNTNSA-N 2 1 315.505 3.380 20 0 DGADMP Cc1ccc(N(C)[C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000784381659 624515740 /nfs/dbraw/zinc/51/57/40/624515740.db2.gz UQPIUEGXDZZMSK-ICSRJNTNSA-N 2 1 315.505 3.380 20 0 DGADMP C[N@H+]1CCCN(CCC[NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000784533918 624542990 /nfs/dbraw/zinc/54/29/90/624542990.db2.gz HTLMMGJSMCVXQX-UHFFFAOYSA-N 2 1 323.569 3.456 20 0 DGADMP C[N@H+]1CCC[C@@H]1CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552074 624585920 /nfs/dbraw/zinc/58/59/20/624585920.db2.gz PLWWMDRFYXOTAJ-MRXNPFEDSA-N 2 1 318.465 3.001 20 0 DGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552074 624585923 /nfs/dbraw/zinc/58/59/23/624585923.db2.gz PLWWMDRFYXOTAJ-MRXNPFEDSA-N 2 1 318.465 3.001 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552074 624585932 /nfs/dbraw/zinc/58/59/32/624585932.db2.gz PLWWMDRFYXOTAJ-MRXNPFEDSA-N 2 1 318.465 3.001 20 0 DGADMP C[N@H+]1CC[C@H]2CN(CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566248 624593030 /nfs/dbraw/zinc/59/30/30/624593030.db2.gz DLFOWKGSNFKTKX-ICSRJNTNSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566248 624593033 /nfs/dbraw/zinc/59/30/33/624593033.db2.gz DLFOWKGSNFKTKX-ICSRJNTNSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566248 624593037 /nfs/dbraw/zinc/59/30/37/624593037.db2.gz DLFOWKGSNFKTKX-ICSRJNTNSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566248 624593039 /nfs/dbraw/zinc/59/30/39/624593039.db2.gz DLFOWKGSNFKTKX-ICSRJNTNSA-N 2 1 310.441 3.245 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879566248 624593040 /nfs/dbraw/zinc/59/30/40/624593040.db2.gz DLFOWKGSNFKTKX-ICSRJNTNSA-N 2 1 310.441 3.245 20 0 DGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578699 624597623 /nfs/dbraw/zinc/59/76/23/624597623.db2.gz VMVIIZMBYBFUEJ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@H]2C[NH+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578699 624597628 /nfs/dbraw/zinc/59/76/28/624597628.db2.gz VMVIIZMBYBFUEJ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2C[N@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578699 624597635 /nfs/dbraw/zinc/59/76/35/624597635.db2.gz VMVIIZMBYBFUEJ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000879578699 624597641 /nfs/dbraw/zinc/59/76/41/624597641.db2.gz VMVIIZMBYBFUEJ-ZWKOTPCHSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578693 624598154 /nfs/dbraw/zinc/59/81/54/624598154.db2.gz VMVIIZMBYBFUEJ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578693 624598160 /nfs/dbraw/zinc/59/81/60/624598160.db2.gz VMVIIZMBYBFUEJ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578693 624598162 /nfs/dbraw/zinc/59/81/62/624598162.db2.gz VMVIIZMBYBFUEJ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000879578693 624598166 /nfs/dbraw/zinc/59/81/66/624598166.db2.gz VMVIIZMBYBFUEJ-MSOLQXFVSA-N 2 1 304.503 3.336 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672536 624635273 /nfs/dbraw/zinc/63/52/73/624635273.db2.gz YFZQMRCAYLMKNC-ZIAGYGMSSA-N 2 1 301.356 3.458 20 0 DGADMP Cc1cccc(CC[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879702907 624645624 /nfs/dbraw/zinc/64/56/24/624645624.db2.gz APLLHWHJONFHDT-UHFFFAOYSA-N 2 1 303.494 3.232 20 0 DGADMP COc1ccc2c(NCCc3cn4c([nH+]3)CCCC4)cc[nH+]c2c1 ZINC000785725387 624718915 /nfs/dbraw/zinc/71/89/15/624718915.db2.gz BOBQYPLKOXHYKY-UHFFFAOYSA-N 2 1 322.412 3.431 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000879918419 624722268 /nfs/dbraw/zinc/72/22/68/624722268.db2.gz DBTBRJDGMQOFEK-CVEARBPZSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000879918419 624722273 /nfs/dbraw/zinc/72/22/73/624722273.db2.gz DBTBRJDGMQOFEK-CVEARBPZSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)[nH]n1 ZINC000879918419 624722277 /nfs/dbraw/zinc/72/22/77/624722277.db2.gz DBTBRJDGMQOFEK-CVEARBPZSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918419 624722281 /nfs/dbraw/zinc/72/22/81/624722281.db2.gz DBTBRJDGMQOFEK-CVEARBPZSA-N 2 1 304.482 3.197 20 0 DGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000879918419 624722285 /nfs/dbraw/zinc/72/22/85/624722285.db2.gz DBTBRJDGMQOFEK-CVEARBPZSA-N 2 1 304.482 3.197 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880060152 624770628 /nfs/dbraw/zinc/77/06/28/624770628.db2.gz ORQSVIOISWIECH-TZMCWYRMSA-N 2 1 319.371 3.013 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880060152 624770633 /nfs/dbraw/zinc/77/06/33/624770633.db2.gz ORQSVIOISWIECH-TZMCWYRMSA-N 2 1 319.371 3.013 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786147610 624809695 /nfs/dbraw/zinc/80/96/95/624809695.db2.gz NYIUSMGTTJQPHC-QZTJIDSGSA-N 2 1 306.494 3.332 20 0 DGADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000786147610 624809698 /nfs/dbraw/zinc/80/96/98/624809698.db2.gz NYIUSMGTTJQPHC-QZTJIDSGSA-N 2 1 306.494 3.332 20 0 DGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCc2cncs2)CC1 ZINC000880254991 624871617 /nfs/dbraw/zinc/87/16/17/624871617.db2.gz VYYJRRPGBOUROE-UHFFFAOYSA-N 2 1 307.507 3.416 20 0 DGADMP c1cn(C[C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc2)cn1 ZINC000880569040 624979464 /nfs/dbraw/zinc/97/94/64/624979464.db2.gz GTDDPCPHMMPKGI-IBGZPJMESA-N 2 1 312.461 3.090 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882880467 625841860 /nfs/dbraw/zinc/84/18/60/625841860.db2.gz UDVQYMXISNZVGP-MRXNPFEDSA-N 2 1 302.462 3.113 20 0 DGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000882981123 625881786 /nfs/dbraw/zinc/88/17/86/625881786.db2.gz CHYGBNHLYFKYSD-UHFFFAOYSA-N 2 1 300.450 3.275 20 0 DGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000882981123 625881790 /nfs/dbraw/zinc/88/17/90/625881790.db2.gz CHYGBNHLYFKYSD-UHFFFAOYSA-N 2 1 300.450 3.275 20 0 DGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC(C)(C)CC[C@H]2C)CC1 ZINC000883172434 625952701 /nfs/dbraw/zinc/95/27/01/625952701.db2.gz HEBRNGHCWXTNLS-QZTJIDSGSA-N 2 1 309.542 3.209 20 0 DGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC000796930880 626096752 /nfs/dbraw/zinc/09/67/52/626096752.db2.gz KRMXWYHETWGXHP-XNISGKROSA-N 2 1 305.491 3.291 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC000796943455 626097859 /nfs/dbraw/zinc/09/78/59/626097859.db2.gz YTPRUQQPNXXIRC-MLHJIOFPSA-N 2 1 316.493 3.304 20 0 DGADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC000796943455 626097862 /nfs/dbraw/zinc/09/78/62/626097862.db2.gz YTPRUQQPNXXIRC-MLHJIOFPSA-N 2 1 316.493 3.304 20 0 DGADMP C[C@H](CCCCO)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934769 626261302 /nfs/dbraw/zinc/26/13/02/626261302.db2.gz IJCXXXJTQMRVMI-IEBWSBKVSA-N 2 1 304.478 3.039 20 0 DGADMP C[C@@H](CCCCO)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934768 626261412 /nfs/dbraw/zinc/26/14/12/626261412.db2.gz IJCXXXJTQMRVMI-HKUYNNGSSA-N 2 1 304.478 3.039 20 0 DGADMP Cc1cc(C)cc(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799176930 626277841 /nfs/dbraw/zinc/27/78/41/626277841.db2.gz FYDUJTUEIMDUAF-UHFFFAOYSA-N 2 1 316.489 3.490 20 0 DGADMP CC(C)OC[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000800272011 626346142 /nfs/dbraw/zinc/34/61/42/626346142.db2.gz YYTJXDQJLOEXHE-PKOBYXMFSA-N 2 1 304.478 3.302 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC4(CC4)C3)cc2)C1 ZINC000883234713 626618273 /nfs/dbraw/zinc/61/82/73/626618273.db2.gz KUCKMKMPAPTGNR-MOPGFXCFSA-N 2 1 314.473 3.066 20 0 DGADMP CC[N@H+]1CC[C@@H](NCc2cc(C3CC3)ccc2OC)[C@@H](C)C1 ZINC000883264531 626629057 /nfs/dbraw/zinc/62/90/57/626629057.db2.gz DIAXJCCKMPLFRR-KBXCAEBGSA-N 2 1 302.462 3.393 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)ccc2OC)[C@@H](C)C1 ZINC000883264531 626629058 /nfs/dbraw/zinc/62/90/58/626629058.db2.gz DIAXJCCKMPLFRR-KBXCAEBGSA-N 2 1 302.462 3.393 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C[C@H]21 ZINC000883425032 626679568 /nfs/dbraw/zinc/67/95/68/626679568.db2.gz JZQZHYLEACZWHA-IVDHNXQLSA-N 2 1 314.473 3.356 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000883437467 626682091 /nfs/dbraw/zinc/68/20/91/626682091.db2.gz SQJUVWHECLPTBL-UTUOFQBUSA-N 2 1 314.342 3.271 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000103715901 626753543 /nfs/dbraw/zinc/75/35/43/626753543.db2.gz BVPFBVLOZHYWNC-OAHLLOKOSA-N 2 1 320.477 3.099 20 0 DGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000103715901 626753544 /nfs/dbraw/zinc/75/35/44/626753544.db2.gz BVPFBVLOZHYWNC-OAHLLOKOSA-N 2 1 320.477 3.099 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)oc21 ZINC000809767082 626949676 /nfs/dbraw/zinc/94/96/76/626949676.db2.gz GBNWGTMVQMBWHQ-NVXWUHKLSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)oc21 ZINC000809767082 626949679 /nfs/dbraw/zinc/94/96/79/626949679.db2.gz GBNWGTMVQMBWHQ-NVXWUHKLSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cccc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)oc21 ZINC000809767082 626949683 /nfs/dbraw/zinc/94/96/83/626949683.db2.gz GBNWGTMVQMBWHQ-NVXWUHKLSA-N 2 1 314.429 3.358 20 0 DGADMP COc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1OC ZINC000885969446 627073345 /nfs/dbraw/zinc/07/33/45/627073345.db2.gz SKFXLGIKCAMKCB-MRXNPFEDSA-N 2 1 320.477 3.222 20 0 DGADMP COc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1OC ZINC000885969446 627073351 /nfs/dbraw/zinc/07/33/51/627073351.db2.gz SKFXLGIKCAMKCB-MRXNPFEDSA-N 2 1 320.477 3.222 20 0 DGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885969665 627073707 /nfs/dbraw/zinc/07/37/07/627073707.db2.gz ZKCJTGFWXHZCCA-NVXWUHKLSA-N 2 1 305.466 3.299 20 0 DGADMP Cc1coc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000885979520 627075662 /nfs/dbraw/zinc/07/56/62/627075662.db2.gz FIZBHZHMHFSSAQ-UHFFFAOYSA-N 2 1 317.433 3.195 20 0 DGADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000886044439 627092343 /nfs/dbraw/zinc/09/23/43/627092343.db2.gz WSXOBJKQXAQZGV-DFQSSKMNSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000886044439 627092347 /nfs/dbraw/zinc/09/23/47/627092347.db2.gz WSXOBJKQXAQZGV-DFQSSKMNSA-N 2 1 316.489 3.255 20 0 DGADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000886044439 627092349 /nfs/dbraw/zinc/09/23/49/627092349.db2.gz WSXOBJKQXAQZGV-DFQSSKMNSA-N 2 1 316.489 3.255 20 0 DGADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCCCC1 ZINC000886080972 627099851 /nfs/dbraw/zinc/09/98/51/627099851.db2.gz IBIIRZJVWCFSCH-APWZRJJASA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886080972 627099854 /nfs/dbraw/zinc/09/98/54/627099854.db2.gz IBIIRZJVWCFSCH-APWZRJJASA-N 2 1 306.494 3.284 20 0 DGADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCCCC1 ZINC000886080972 627099856 /nfs/dbraw/zinc/09/98/56/627099856.db2.gz IBIIRZJVWCFSCH-APWZRJJASA-N 2 1 306.494 3.284 20 0 DGADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127700 627109420 /nfs/dbraw/zinc/10/94/20/627109420.db2.gz QIUMRDXXVBRBBH-OYSPMZIOSA-N 2 1 306.494 3.187 20 0 DGADMP CC[C@H](C[NH+](C)[C@H]1CC[C@H]([N@H+](C)C[C@@H](CC)OC)CC1)OC ZINC000886389516 627145435 /nfs/dbraw/zinc/14/54/35/627145435.db2.gz MLWFXHOLZHWFOY-BRSBDYLESA-N 2 1 314.514 3.011 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2cnn(C)c2)C(C)C)C1 ZINC000886553865 627161858 /nfs/dbraw/zinc/16/18/58/627161858.db2.gz WYFTYYJROVJFQS-AEFFLSMTSA-N 2 1 306.498 3.075 20 0 DGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886596490 627169984 /nfs/dbraw/zinc/16/99/84/627169984.db2.gz GVBNCIMUFPGKMC-BVRUVYRISA-N 2 1 302.462 3.053 20 0 DGADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886624144 627175405 /nfs/dbraw/zinc/17/54/05/627175405.db2.gz YIUCILWRZSBBPZ-VYJAJWGXSA-N 2 1 314.473 3.197 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886625592 627176262 /nfs/dbraw/zinc/17/62/62/627176262.db2.gz VMKINYUBPYOHNU-LMDPOFIKSA-N 3 1 307.526 3.105 20 0 DGADMP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000886629577 627176673 /nfs/dbraw/zinc/17/66/73/627176673.db2.gz ISMALMNNVUKDDZ-CEXWTWQISA-N 2 1 307.441 3.004 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCc3cccnc32)[C@H](c2ccccc2)C1 ZINC000886629577 627176674 /nfs/dbraw/zinc/17/66/74/627176674.db2.gz ISMALMNNVUKDDZ-CEXWTWQISA-N 2 1 307.441 3.004 20 0 DGADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648359 627179894 /nfs/dbraw/zinc/17/98/94/627179894.db2.gz RAJRAVHLFLFYRL-MTQWCTHYSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648359 627179895 /nfs/dbraw/zinc/17/98/95/627179895.db2.gz RAJRAVHLFLFYRL-MTQWCTHYSA-N 2 1 314.473 3.008 20 0 DGADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886648359 627179897 /nfs/dbraw/zinc/17/98/97/627179897.db2.gz RAJRAVHLFLFYRL-MTQWCTHYSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CC[C@@H](C4CC4)O3)CC2)[nH+]c1C ZINC000886659510 627182209 /nfs/dbraw/zinc/18/22/09/627182209.db2.gz OJZKHTUDLFBHPT-SJORKVTESA-N 2 1 303.450 3.164 20 0 DGADMP Cc1[nH]c(C2CC[NH+](CCCOCC(F)(F)F)CC2)[nH+]c1C ZINC000886666577 627183989 /nfs/dbraw/zinc/18/39/89/627183989.db2.gz VNCGLKIMAKNUPR-UHFFFAOYSA-N 2 1 319.371 3.175 20 0 DGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)[nH+]c1C ZINC000886671977 627185694 /nfs/dbraw/zinc/18/56/94/627185694.db2.gz HGKFIUSQBURSRL-KRWDZBQOSA-N 2 1 317.408 3.079 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000886713198 627196468 /nfs/dbraw/zinc/19/64/68/627196468.db2.gz WJTKFKLGYHEUNW-UHFFFAOYSA-N 2 1 324.472 3.323 20 0 DGADMP c1ccc(COCCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886874745 627212090 /nfs/dbraw/zinc/21/20/90/627212090.db2.gz VVDOXSLIYHZWNH-IBGZPJMESA-N 2 1 302.462 3.059 20 0 DGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cccc2ncccc12 ZINC000887136409 627228421 /nfs/dbraw/zinc/22/84/21/627228421.db2.gz SQJUNTDRKDTPRB-INIZCTEOSA-N 2 1 318.424 3.341 20 0 DGADMP c1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCOCC2)cc1 ZINC000925496388 627573845 /nfs/dbraw/zinc/57/38/45/627573845.db2.gz BAFQRPZHOYETCT-ZWKOTPCHSA-N 2 1 300.446 3.029 20 0 DGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815058909 627620329 /nfs/dbraw/zinc/62/03/29/627620329.db2.gz YOMZRVFXGRDSDK-JXFKEZNVSA-N 2 1 312.457 3.147 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815058909 627620333 /nfs/dbraw/zinc/62/03/33/627620333.db2.gz YOMZRVFXGRDSDK-JXFKEZNVSA-N 2 1 312.457 3.147 20 0 DGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815058909 627620337 /nfs/dbraw/zinc/62/03/37/627620337.db2.gz YOMZRVFXGRDSDK-JXFKEZNVSA-N 2 1 312.457 3.147 20 0 DGADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056523 627620739 /nfs/dbraw/zinc/62/07/39/627620739.db2.gz DTDDQZRECMTDHS-USXIJHARSA-N 2 1 316.445 3.271 20 0 DGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056523 627620740 /nfs/dbraw/zinc/62/07/40/627620740.db2.gz DTDDQZRECMTDHS-USXIJHARSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056523 627620741 /nfs/dbraw/zinc/62/07/41/627620741.db2.gz DTDDQZRECMTDHS-USXIJHARSA-N 2 1 316.445 3.271 20 0 DGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000815056523 627620742 /nfs/dbraw/zinc/62/07/42/627620742.db2.gz DTDDQZRECMTDHS-USXIJHARSA-N 2 1 316.445 3.271 20 0 DGADMP Clc1ccnc2c1CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924646751 627662138 /nfs/dbraw/zinc/66/21/38/627662138.db2.gz FXHIJRNMAVNUCK-LRDDRELGSA-N 2 1 305.853 3.186 20 0 DGADMP Clc1ccnc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924646751 627662144 /nfs/dbraw/zinc/66/21/44/627662144.db2.gz FXHIJRNMAVNUCK-LRDDRELGSA-N 2 1 305.853 3.186 20 0 DGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000924687549 627666984 /nfs/dbraw/zinc/66/69/84/627666984.db2.gz WAHAGGHMBXWANG-QLFBSQMISA-N 2 1 309.454 3.092 20 0 DGADMP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nn1 ZINC000924689051 627667921 /nfs/dbraw/zinc/66/79/21/627667921.db2.gz WHZBBUSQNGOZBN-HOTGVXAUSA-N 2 1 307.486 3.022 20 0 DGADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616212 627690859 /nfs/dbraw/zinc/69/08/59/627690859.db2.gz JABDIQQLUHBKHN-RDTXWAMCSA-N 2 1 322.518 3.294 20 0 DGADMP C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1SC(C)(C)C ZINC000815616212 627690861 /nfs/dbraw/zinc/69/08/61/627690861.db2.gz JABDIQQLUHBKHN-RDTXWAMCSA-N 2 1 322.518 3.294 20 0 DGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000924912829 627692457 /nfs/dbraw/zinc/69/24/57/627692457.db2.gz RSGXTPVJKYJKSM-OAHLLOKOSA-N 2 1 315.461 3.319 20 0 DGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(Cl)CC1 ZINC000924941122 627695791 /nfs/dbraw/zinc/69/57/91/627695791.db2.gz SZFMHIDBNYAIHP-WBVHZDCISA-N 2 1 306.881 3.301 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958195 627698126 /nfs/dbraw/zinc/69/81/26/627698126.db2.gz CTRLFAQEWOOJFQ-HOTGVXAUSA-N 2 1 305.466 3.251 20 0 DGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(OC)n1 ZINC000924958195 627698127 /nfs/dbraw/zinc/69/81/27/627698127.db2.gz CTRLFAQEWOOJFQ-HOTGVXAUSA-N 2 1 305.466 3.251 20 0 DGADMP CC[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000925080128 627706797 /nfs/dbraw/zinc/70/67/97/627706797.db2.gz QZGNZXNASLOKPA-GPMSIDNRSA-N 2 1 302.462 3.227 20 0 DGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000925479856 627741290 /nfs/dbraw/zinc/74/12/90/627741290.db2.gz HMJDVIILHQORAK-KUHUBIRLSA-N 2 1 308.429 3.174 20 0 DGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925497845 627742557 /nfs/dbraw/zinc/74/25/57/627742557.db2.gz ZICHCAAMIAWPKV-OXQOHEQNSA-N 2 1 311.473 3.316 20 0 DGADMP C[C@H]([NH3+])[C@@H](NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000925529173 627748508 /nfs/dbraw/zinc/74/85/08/627748508.db2.gz WWVITCXEUZWOFJ-IAOVAPTHSA-N 2 1 303.475 3.029 20 0 DGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925541365 627750679 /nfs/dbraw/zinc/75/06/79/627750679.db2.gz HPAQXXYTJDUBIC-SJORKVTESA-N 2 1 302.487 3.281 20 0 DGADMP CCc1noc(CC)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925540324 627750716 /nfs/dbraw/zinc/75/07/16/627750716.db2.gz OOMILPFMSWDLME-YOEHRIQHSA-N 2 1 305.466 3.057 20 0 DGADMP C[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000925546301 627751922 /nfs/dbraw/zinc/75/19/22/627751922.db2.gz NPUHBBIOICGWTH-FPAYPSAMSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCCC[C@H]1C ZINC000925546301 627751924 /nfs/dbraw/zinc/75/19/24/627751924.db2.gz NPUHBBIOICGWTH-FPAYPSAMSA-N 2 1 307.526 3.007 20 0 DGADMP C[C@@H]([NH3+])[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551587 627752707 /nfs/dbraw/zinc/75/27/07/627752707.db2.gz BWKKHELANWMHJK-LMMKCTJWSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H](N)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551587 627752710 /nfs/dbraw/zinc/75/27/10/627752710.db2.gz BWKKHELANWMHJK-LMMKCTJWSA-N 2 1 303.494 3.177 20 0 DGADMP C[C@@H](N)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551587 627752713 /nfs/dbraw/zinc/75/27/13/627752713.db2.gz BWKKHELANWMHJK-LMMKCTJWSA-N 2 1 303.494 3.177 20 0 DGADMP CC(C)[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605183 627761371 /nfs/dbraw/zinc/76/13/71/627761371.db2.gz DIGLEDQGFBSZGE-OALUTQOASA-N 3 1 303.494 3.177 20 0 DGADMP CC(C)[C@H](CN[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000925605183 627761373 /nfs/dbraw/zinc/76/13/73/627761373.db2.gz DIGLEDQGFBSZGE-OALUTQOASA-N 2 1 303.494 3.177 20 0 DGADMP CC[NH+](CC)[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925618462 627763257 /nfs/dbraw/zinc/76/32/57/627763257.db2.gz WEHMWBACUIUJGH-HRCADAONSA-N 2 1 307.482 3.158 20 0 DGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616161 627763588 /nfs/dbraw/zinc/76/35/88/627763588.db2.gz KJZMYKQKRDXLLS-UYAOXDASSA-N 3 1 317.521 3.424 20 0 DGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CCO2 ZINC000925643572 627768251 /nfs/dbraw/zinc/76/82/51/627768251.db2.gz FVGKNTAJENCJJZ-RCCFBDPRSA-N 2 1 318.436 3.407 20 0 DGADMP Fc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)CCO2)cc1 ZINC000925647694 627769777 /nfs/dbraw/zinc/76/97/77/627769777.db2.gz FTCIGZDFZSHWQG-BZSNNMDCSA-N 2 1 318.436 3.310 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000925755617 627789165 /nfs/dbraw/zinc/78/91/65/627789165.db2.gz HDIVILWBMHYPHE-OAHLLOKOSA-N 3 1 312.461 3.445 20 0 DGADMP CCC1([NH3+])CC[NH+]([C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000925760308 627790619 /nfs/dbraw/zinc/79/06/19/627790619.db2.gz PCHVGQKNVLNQFR-IBGZPJMESA-N 2 1 324.472 3.453 20 0 DGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CCC[C@@]34CCCO4)CC[NH2+]2)cc1 ZINC000925771306 627792011 /nfs/dbraw/zinc/79/20/11/627792011.db2.gz ASZNFBLJUFCLQQ-ZSYWTGECSA-N 2 1 300.446 3.171 20 0 DGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc(C)c1F ZINC000925783465 627794607 /nfs/dbraw/zinc/79/46/07/627794607.db2.gz OVGMYXRADTUKHS-GXTWGEPZSA-N 2 1 300.368 3.338 20 0 DGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000925782407 627794896 /nfs/dbraw/zinc/79/48/96/627794896.db2.gz LOTJJHLLGDDIJX-IINYFYTJSA-N 2 1 300.780 3.162 20 0 DGADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccccc1Cl ZINC000925848744 627805939 /nfs/dbraw/zinc/80/59/39/627805939.db2.gz JZLVPAKDJNEUJM-HNNXBMFYSA-N 2 1 309.885 3.066 20 0 DGADMP Cc1cc(F)c(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(F)c1 ZINC000925876179 627809746 /nfs/dbraw/zinc/80/97/46/627809746.db2.gz YGUJLVOAABYVOV-LLVKDONJSA-N 2 1 305.372 3.286 20 0 DGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925879720 627811249 /nfs/dbraw/zinc/81/12/49/627811249.db2.gz JCWDLHJASDYDJP-ZMTPEHOPSA-N 3 1 315.505 3.147 20 0 DGADMP CC(C)n1cc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119657 627846863 /nfs/dbraw/zinc/84/68/63/627846863.db2.gz OLLYXTGIUXVVTC-OWCLPIDISA-N 2 1 319.497 3.163 20 0 DGADMP CC(C)(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000926126435 627847757 /nfs/dbraw/zinc/84/77/57/627847757.db2.gz QAFHZAQLEHJYTR-OALUTQOASA-N 2 1 316.489 3.168 20 0 DGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926326332 627879975 /nfs/dbraw/zinc/87/99/75/627879975.db2.gz PPZWDQOWYDQBQY-KBXCAEBGSA-N 2 1 313.445 3.464 20 0 DGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326332 627879978 /nfs/dbraw/zinc/87/99/78/627879978.db2.gz PPZWDQOWYDQBQY-KBXCAEBGSA-N 2 1 313.445 3.464 20 0 DGADMP C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354744 627883573 /nfs/dbraw/zinc/88/35/73/627883573.db2.gz VIPUEZNGNSPWMG-LPHOPBHVSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccnnc1 ZINC000926354744 627883577 /nfs/dbraw/zinc/88/35/77/627883577.db2.gz VIPUEZNGNSPWMG-LPHOPBHVSA-N 2 1 310.445 3.039 20 0 DGADMP C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469867 627900152 /nfs/dbraw/zinc/90/01/52/627900152.db2.gz HGHAFXGHDLJHGN-POAQFYNOSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469867 627900154 /nfs/dbraw/zinc/90/01/54/627900154.db2.gz HGHAFXGHDLJHGN-POAQFYNOSA-N 2 1 315.505 3.142 20 0 DGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926560942 627914997 /nfs/dbraw/zinc/91/49/97/627914997.db2.gz ULQHNDNNFGEFRY-INIZCTEOSA-N 3 1 303.494 3.273 20 0 DGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926573962 627916484 /nfs/dbraw/zinc/91/64/84/627916484.db2.gz QYKCPEMYWBMQPG-CVEARBPZSA-N 2 1 304.478 3.297 20 0 DGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926573046 627916541 /nfs/dbraw/zinc/91/65/41/627916541.db2.gz IYXIMRZUKJFJJI-AOIWGVFYSA-N 2 1 301.478 3.114 20 0 DGADMP CC(C)CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000926738485 627943486 /nfs/dbraw/zinc/94/34/86/627943486.db2.gz LQGIQKFNSFFLFM-IBGZPJMESA-N 3 1 321.553 3.209 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000926738485 627943491 /nfs/dbraw/zinc/94/34/91/627943491.db2.gz LQGIQKFNSFFLFM-IBGZPJMESA-N 3 1 321.553 3.209 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000926738485 627943495 /nfs/dbraw/zinc/94/34/95/627943495.db2.gz LQGIQKFNSFFLFM-IBGZPJMESA-N 3 1 321.553 3.209 20 0 DGADMP CC1(C)CC2(CC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)CO1 ZINC000926737736 627943707 /nfs/dbraw/zinc/94/37/07/627943707.db2.gz GVYZGGNFRYLUJM-LRYGQEGESA-N 2 1 306.494 3.046 20 0 DGADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000817893902 627954681 /nfs/dbraw/zinc/95/46/81/627954681.db2.gz HRRLVOPFVLLCTO-SCLBCKFNSA-N 2 1 313.445 3.176 20 0 DGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000817902032 627957011 /nfs/dbraw/zinc/95/70/11/627957011.db2.gz GWBQZHAHXDMSLL-WILYLXEWSA-N 2 1 321.424 3.367 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCCC3)C2)CO1 ZINC000926804525 627958414 /nfs/dbraw/zinc/95/84/14/627958414.db2.gz KNBSRYNLMLQRQM-MEWCUZTCSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@H]1CC2(CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCCC3)C2)CO1 ZINC000926804525 627958416 /nfs/dbraw/zinc/95/84/16/627958416.db2.gz KNBSRYNLMLQRQM-MEWCUZTCSA-N 2 1 306.494 3.331 20 0 DGADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nc(Br)cs1 ZINC000817960710 627975976 /nfs/dbraw/zinc/97/59/76/627975976.db2.gz QCFQJKIMJKXBAO-AEJSXWLSSA-N 2 1 318.284 3.074 20 0 DGADMP C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926893461 627973288 /nfs/dbraw/zinc/97/32/88/627973288.db2.gz GYIPVAZIEVVVCB-KSSFIOAISA-N 2 1 310.445 3.340 20 0 DGADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000817961329 627975460 /nfs/dbraw/zinc/97/54/60/627975460.db2.gz XKCVYLJUKNBSAD-GPJFCIFZSA-N 2 1 316.489 3.267 20 0 DGADMP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926910592 627978190 /nfs/dbraw/zinc/97/81/90/627978190.db2.gz JMNKOCZZFNPOEG-NVXWUHKLSA-N 2 1 312.457 3.463 20 0 DGADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000926971349 627991571 /nfs/dbraw/zinc/99/15/71/627991571.db2.gz ALBDKHCWRACXQP-GVDBMIGSSA-N 2 1 313.445 3.141 20 0 DGADMP C[C@H]([NH2+]C[C@@]1(C)CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927015355 627998082 /nfs/dbraw/zinc/99/80/82/627998082.db2.gz BEQXFUCYXKEOCH-YSIASYRMSA-N 2 1 316.489 3.446 20 0 DGADMP CCC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000927019425 627998987 /nfs/dbraw/zinc/99/89/87/627998987.db2.gz SJAYJFXDPYCTOF-NXEWRWPSSA-N 2 1 316.489 3.323 20 0 DGADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000818356771 628017603 /nfs/dbraw/zinc/01/76/03/628017603.db2.gz QOVXWJKCNRTSPR-MQVJKMGUSA-N 2 1 324.509 3.349 20 0 DGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1 ZINC000927138105 628024342 /nfs/dbraw/zinc/02/43/42/628024342.db2.gz AVEACYHNRWPMNU-UXHICEINSA-N 2 1 316.489 3.135 20 0 DGADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000818959233 628067228 /nfs/dbraw/zinc/06/72/28/628067228.db2.gz GBVQFOQEPQDYQC-APWZRJJASA-N 2 1 322.468 3.412 20 0 DGADMP Cc1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000818960983 628068289 /nfs/dbraw/zinc/06/82/89/628068289.db2.gz MSSUALZLTOMCPQ-NSHGMRRFSA-N 2 1 318.505 3.376 20 0 DGADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)C(C)C ZINC000819125989 628095996 /nfs/dbraw/zinc/09/59/96/628095996.db2.gz MHYKYRSJLLBLRQ-KRWDZBQOSA-N 2 1 314.420 3.097 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000819221317 628115504 /nfs/dbraw/zinc/11/55/04/628115504.db2.gz XMDBXOCNIFRQPY-YWZLYKJASA-N 2 1 310.441 3.113 20 0 DGADMP CCC[NH+]1CCC(N[C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820805715 628299171 /nfs/dbraw/zinc/29/91/71/628299171.db2.gz QEGSKRJASYOYBN-INIZCTEOSA-N 2 1 303.494 3.273 20 0 DGADMP CCCN1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820805715 628299174 /nfs/dbraw/zinc/29/91/74/628299174.db2.gz QEGSKRJASYOYBN-INIZCTEOSA-N 2 1 303.494 3.273 20 0 DGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659396 628476252 /nfs/dbraw/zinc/47/62/52/628476252.db2.gz PXHWLSCWNVKCEC-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659396 628476253 /nfs/dbraw/zinc/47/62/53/628476253.db2.gz PXHWLSCWNVKCEC-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659396 628476256 /nfs/dbraw/zinc/47/62/56/628476256.db2.gz PXHWLSCWNVKCEC-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822659396 628476261 /nfs/dbraw/zinc/47/62/61/628476261.db2.gz PXHWLSCWNVKCEC-KBPBESRZSA-N 2 1 305.293 3.234 20 0 DGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000834585095 629734751 /nfs/dbraw/zinc/73/47/51/629734751.db2.gz FXMBKFJZRJKNFJ-IRXDYDNUSA-N 2 1 308.491 3.432 20 0 DGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000834585382 629734912 /nfs/dbraw/zinc/73/49/12/629734912.db2.gz OGHZWHSGBXBLMT-RBUKOAKNSA-N 2 1 306.494 3.188 20 0 DGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000834584979 629735030 /nfs/dbraw/zinc/73/50/30/629735030.db2.gz BIBBMIZABNHGEI-RHSMWYFYSA-N 2 1 308.491 3.351 20 0 DGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)[C@H]2CCC[C@H]21 ZINC000834893274 629800118 /nfs/dbraw/zinc/80/01/18/629800118.db2.gz NWHYLUGWWPQZCO-XJFOESAGSA-N 2 1 305.293 3.423 20 0 DGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC1(C)C ZINC000841756821 630462829 /nfs/dbraw/zinc/46/28/29/630462829.db2.gz AMGBKXCRMXESRV-KURKYZTESA-N 2 1 308.510 3.434 20 0 DGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(C)cccc3C2)cc1 ZINC000842472470 630538699 /nfs/dbraw/zinc/53/86/99/630538699.db2.gz YQKBSOQSFNKMPH-GOSISDBHSA-N 2 1 310.441 3.104 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673677 630561430 /nfs/dbraw/zinc/56/14/30/630561430.db2.gz PMAXQSKYRWXEPE-RBUKOAKNSA-N 2 1 316.489 3.180 20 0 DGADMP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842673677 630561433 /nfs/dbraw/zinc/56/14/33/630561433.db2.gz PMAXQSKYRWXEPE-RBUKOAKNSA-N 2 1 316.489 3.180 20 0 DGADMP COc1cccc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)oc21 ZINC000843046804 630608023 /nfs/dbraw/zinc/60/80/23/630608023.db2.gz CRSVMYHFEXOGRP-YIONKMFJSA-N 2 1 300.402 3.156 20 0 DGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000843054222 630609103 /nfs/dbraw/zinc/60/91/03/630609103.db2.gz SPFABEYJRSTWGV-GOOCMWNKSA-N 2 1 310.388 3.175 20 0 DGADMP CCCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843055843 630609211 /nfs/dbraw/zinc/60/92/11/630609211.db2.gz QGNYXNZEFLWLCF-UHFFFAOYSA-N 2 1 306.450 3.186 20 0 DGADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000843065978 630610282 /nfs/dbraw/zinc/61/02/82/630610282.db2.gz ODVPTVLRBPEAKB-BRWVUGGUSA-N 2 1 322.518 3.416 20 0 DGADMP COc1cccc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)oc21 ZINC000843122265 630615537 /nfs/dbraw/zinc/61/55/37/630615537.db2.gz ASZMYLFPDHYPNA-SFHVURJKSA-N 2 1 300.402 3.017 20 0 DGADMP COc1cccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)oc21 ZINC000843122265 630615540 /nfs/dbraw/zinc/61/55/40/630615540.db2.gz ASZMYLFPDHYPNA-SFHVURJKSA-N 2 1 300.402 3.017 20 0 DGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000843129888 630617718 /nfs/dbraw/zinc/61/77/18/630617718.db2.gz SRUXGHXHTFBVOU-QWHCGFSZSA-N 2 1 320.868 3.109 20 0 DGADMP [NH3+]CCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000843342751 630647696 /nfs/dbraw/zinc/64/76/96/630647696.db2.gz TXXARCXPQBGNDS-OWZKRDHZSA-N 3 1 315.505 3.291 20 0 DGADMP [NH3+]CCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000843342751 630647698 /nfs/dbraw/zinc/64/76/98/630647698.db2.gz TXXARCXPQBGNDS-OWZKRDHZSA-N 2 1 315.505 3.291 20 0 DGADMP CC[C@H](C)c1ccc(NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843352751 630648987 /nfs/dbraw/zinc/64/89/87/630648987.db2.gz LNHKOWHZYYVCQE-NXVRBGIVSA-N 2 1 317.477 3.340 20 0 DGADMP CCc1ccc2c(C[N@@H+](C)C3CCC([NH3+])CC3)cc(=O)oc2c1 ZINC000843355548 630649529 /nfs/dbraw/zinc/64/95/29/630649529.db2.gz VCNCHBPUGVBGND-UHFFFAOYSA-N 2 1 314.429 3.057 20 0 DGADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1CCCN(c2ccccc2)C1 ZINC000844221787 630712913 /nfs/dbraw/zinc/71/29/13/630712913.db2.gz KJUZTKMJGKXBPY-IBGZPJMESA-N 2 1 303.494 3.496 20 0 DGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000844910856 630977500 /nfs/dbraw/zinc/97/75/00/630977500.db2.gz KJVWBURLMFRDTH-SNPRPXQTSA-N 2 1 314.882 3.262 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846109834 631210081 /nfs/dbraw/zinc/21/00/81/631210081.db2.gz WUXMLSZBCZPLBW-KRWDZBQOSA-N 2 1 324.415 3.248 20 0 DGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000846219299 631215300 /nfs/dbraw/zinc/21/53/00/631215300.db2.gz NQJJKSGHEQTNAS-MRXNPFEDSA-N 2 1 306.425 3.240 20 0 DGADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)SC ZINC000848531235 631680692 /nfs/dbraw/zinc/68/06/92/631680692.db2.gz MCNDGAPRPYVSSD-MRXNPFEDSA-N 2 1 314.539 3.141 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000848549787 631688605 /nfs/dbraw/zinc/68/86/05/631688605.db2.gz UKQIVJRMGYHQEC-JXFKEZNVSA-N 2 1 324.472 3.348 20 0 DGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549787 631688607 /nfs/dbraw/zinc/68/86/07/631688607.db2.gz UKQIVJRMGYHQEC-JXFKEZNVSA-N 2 1 324.472 3.348 20 0 DGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])NC2CCC2)cc1 ZINC000848985409 631797256 /nfs/dbraw/zinc/79/72/56/631797256.db2.gz UDSHXSFVRKSKNB-HNNXBMFYSA-N 2 1 314.477 3.227 20 0 DGADMP CCc1cccc(CC)c1NC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000848987332 631798275 /nfs/dbraw/zinc/79/82/75/631798275.db2.gz QDXBTLWCGYXJON-UHFFFAOYSA-N 2 1 313.449 3.343 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989522 631799000 /nfs/dbraw/zinc/79/90/00/631799000.db2.gz WKNLLWCFXXMBML-BQFCYCMXSA-N 2 1 316.493 3.200 20 0 DGADMP CCN(CC)C(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989268 631799054 /nfs/dbraw/zinc/79/90/54/631799054.db2.gz JXLYJXNHTCCEAA-AEFFLSMTSA-N 2 1 316.493 3.153 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989523 631799070 /nfs/dbraw/zinc/79/90/70/631799070.db2.gz WKNLLWCFXXMBML-JZXOWHBKSA-N 2 1 316.493 3.200 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000848989938 631799366 /nfs/dbraw/zinc/79/93/66/631799366.db2.gz MNNMLFATCMWAQV-QGZVFWFLSA-N 2 1 316.493 3.121 20 0 DGADMP CC[C@H](C)NC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989524 631799520 /nfs/dbraw/zinc/79/95/20/631799520.db2.gz WKNLLWCFXXMBML-LZLYRXPVSA-N 2 1 316.493 3.200 20 0 DGADMP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000848996654 631801650 /nfs/dbraw/zinc/80/16/50/631801650.db2.gz NKHSXWDIKDLISM-GOSISDBHSA-N 2 1 316.493 3.059 20 0 DGADMP CC(C)CCNC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000849026304 631811801 /nfs/dbraw/zinc/81/18/01/631811801.db2.gz TUNILWPORBYVTN-LJQANCHMSA-N 2 1 316.493 3.059 20 0 DGADMP Cc1ccc(CNC(=[NH2+])NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000849058409 631822491 /nfs/dbraw/zinc/82/24/91/631822491.db2.gz BPHKQVRGMNOOAS-UHFFFAOYSA-N 2 1 316.493 3.264 20 0 DGADMP Cc1ccc(NC(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC000849110640 631838332 /nfs/dbraw/zinc/83/83/32/631838332.db2.gz MCXSGXSIGOCZMZ-INIZCTEOSA-N 2 1 302.466 3.360 20 0 DGADMP COC1([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000850465982 632161518 /nfs/dbraw/zinc/16/15/18/632161518.db2.gz HXLFQEAZGZVDAT-MJGOQNOKSA-N 2 1 316.489 3.446 20 0 DGADMP CCCCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850506471 632174576 /nfs/dbraw/zinc/17/45/76/632174576.db2.gz DKKJGKSPQCMQDM-QFBILLFUSA-N 2 1 304.478 3.312 20 0 DGADMP CC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000850575523 632200007 /nfs/dbraw/zinc/20/00/07/632200007.db2.gz XUXLCARPPOQKHC-ROUUACIJSA-N 2 1 324.896 3.472 20 0 DGADMP C[C@H](c1ncccn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929264421 660483774 /nfs/dbraw/zinc/48/37/74/660483774.db2.gz SCLYRFQGJOMRFS-MRXNPFEDSA-N 2 1 302.466 3.126 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000792969095 660997771 /nfs/dbraw/zinc/99/77/71/660997771.db2.gz JVPIYNFRIHCFLF-LBTBCDHLSA-N 2 1 322.880 3.285 20 0 DGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000792969095 660997775 /nfs/dbraw/zinc/99/77/75/660997775.db2.gz JVPIYNFRIHCFLF-LBTBCDHLSA-N 2 1 322.880 3.285 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536647 661042839 /nfs/dbraw/zinc/04/28/39/661042839.db2.gz UAOZKDZMKJLQQF-IRXDYDNUSA-N 2 1 314.477 3.290 20 0 DGADMP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)n(C)n1 ZINC000793536647 661042843 /nfs/dbraw/zinc/04/28/43/661042843.db2.gz UAOZKDZMKJLQQF-IRXDYDNUSA-N 2 1 314.477 3.290 20 0 DGADMP C[C@@H]([NH2+]Cc1cccnc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000794833628 661108029 /nfs/dbraw/zinc/10/80/29/661108029.db2.gz HDIWGVJXSMFSTQ-CQSZACIVSA-N 2 1 317.408 3.012 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156609 655529412 /nfs/dbraw/zinc/52/94/12/655529412.db2.gz YBZRUXIPQFEDER-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156609 655529413 /nfs/dbraw/zinc/52/94/13/655529413.db2.gz YBZRUXIPQFEDER-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156609 655529415 /nfs/dbraw/zinc/52/94/15/655529415.db2.gz YBZRUXIPQFEDER-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP C[C@H](C[NH2+][C@@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCCC1 ZINC000806130767 655584206 /nfs/dbraw/zinc/58/42/06/655584206.db2.gz DELXEEPPJLZNQO-UKRRQHHQSA-N 2 1 307.869 3.434 20 0 DGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000723701459 655717364 /nfs/dbraw/zinc/71/73/64/655717364.db2.gz FPEPRHFIRZULQT-GFCCVEGCSA-N 2 1 304.381 3.469 20 0 DGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262052450 655762936 /nfs/dbraw/zinc/76/29/36/655762936.db2.gz QIVPXXRWOKFXFE-UHFFFAOYSA-N 2 1 314.351 3.161 20 0 DGADMP CC(C)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCC(C)CC1 ZINC000161280536 655778071 /nfs/dbraw/zinc/77/80/71/655778071.db2.gz LNVLVJCOHIMEAG-GOSISDBHSA-N 2 1 324.509 3.018 20 0 DGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161484139 655800795 /nfs/dbraw/zinc/80/07/95/655800795.db2.gz MXHCJVOWLIXBNF-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161484139 655800798 /nfs/dbraw/zinc/80/07/98/655800798.db2.gz MXHCJVOWLIXBNF-MRXNPFEDSA-N 2 1 324.509 3.162 20 0 DGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309719954 655877301 /nfs/dbraw/zinc/87/73/01/655877301.db2.gz LYHCVBUDVHYYAR-VAMGGRTRSA-N 2 1 316.489 3.446 20 0 DGADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)CO1 ZINC000926707914 655935472 /nfs/dbraw/zinc/93/54/72/655935472.db2.gz WRGNWNSJMVRDBZ-MDCZIUGASA-N 2 1 306.494 3.331 20 0 DGADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C2)CO1 ZINC000926707914 655935473 /nfs/dbraw/zinc/93/54/73/655935473.db2.gz WRGNWNSJMVRDBZ-MDCZIUGASA-N 2 1 306.494 3.331 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)C1 ZINC000930553633 656093387 /nfs/dbraw/zinc/09/33/87/656093387.db2.gz AFEVYBRQGGZDCL-ROUUACIJSA-N 2 1 306.494 3.286 20 0 DGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)C1 ZINC000930553615 656093400 /nfs/dbraw/zinc/09/34/00/656093400.db2.gz AFEVYBRQGGZDCL-MSOLQXFVSA-N 2 1 306.494 3.286 20 0 DGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCCCCCC2)CC1 ZINC000191467114 656169605 /nfs/dbraw/zinc/16/96/05/656169605.db2.gz FINYVYNWWMKUST-UHFFFAOYSA-N 2 1 309.542 3.447 20 0 DGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccc(-c2ccccc2)n1 ZINC000162828558 656419808 /nfs/dbraw/zinc/41/98/08/656419808.db2.gz YWLLRTSDRGSIJC-UHFFFAOYSA-N 2 1 309.417 3.035 20 0 DGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(-c2ccccc2)n1 ZINC000162828558 656419810 /nfs/dbraw/zinc/41/98/10/656419810.db2.gz YWLLRTSDRGSIJC-UHFFFAOYSA-N 2 1 309.417 3.035 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377786 657443071 /nfs/dbraw/zinc/44/30/71/657443071.db2.gz HBUIDRTUBKUWBD-QAPCUYQASA-N 2 1 306.498 3.325 20 0 DGADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377786 657443076 /nfs/dbraw/zinc/44/30/76/657443076.db2.gz HBUIDRTUBKUWBD-QAPCUYQASA-N 2 1 306.498 3.325 20 0 DGADMP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC000895376867 657443424 /nfs/dbraw/zinc/44/34/24/657443424.db2.gz CRTVQMOGQSNGHM-BEFAXECRSA-N 2 1 317.477 3.197 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000895377400 657443462 /nfs/dbraw/zinc/44/34/62/657443462.db2.gz FTIMULMGZLDQPX-DNVCBOLYSA-N 2 1 312.461 3.182 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000895377400 657443464 /nfs/dbraw/zinc/44/34/64/657443464.db2.gz FTIMULMGZLDQPX-DNVCBOLYSA-N 2 1 312.461 3.182 20 0 DGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968857386 657502758 /nfs/dbraw/zinc/50/27/58/657502758.db2.gz XIVAFPGOHQWMBS-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC ZINC000969108444 657558957 /nfs/dbraw/zinc/55/89/57/657558957.db2.gz BRBHXTXWXLRVKY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC000969108444 657558965 /nfs/dbraw/zinc/55/89/65/657558965.db2.gz BRBHXTXWXLRVKY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC000969108444 657558971 /nfs/dbraw/zinc/55/89/71/657558971.db2.gz BRBHXTXWXLRVKY-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1 ZINC000305143889 657687647 /nfs/dbraw/zinc/68/76/47/657687647.db2.gz RDJIAHLSLPBZOF-KSSFIOAISA-N 2 1 301.434 3.238 20 0 DGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC)C1 ZINC001009169222 657753589 /nfs/dbraw/zinc/75/35/89/657753589.db2.gz NSSYSNYEBKMHHM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169222 657753594 /nfs/dbraw/zinc/75/35/94/657753594.db2.gz NSSYSNYEBKMHHM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169222 657753599 /nfs/dbraw/zinc/75/35/99/657753599.db2.gz NSSYSNYEBKMHHM-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000044527849 658891990 /nfs/dbraw/zinc/89/19/90/658891990.db2.gz VAULZDMHGJHRCL-GFCCVEGCSA-N 2 1 304.381 3.469 20 0 DGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000044527849 658891995 /nfs/dbraw/zinc/89/19/95/658891995.db2.gz VAULZDMHGJHRCL-GFCCVEGCSA-N 2 1 304.381 3.469 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000044527850 658892606 /nfs/dbraw/zinc/89/26/06/658892606.db2.gz VAULZDMHGJHRCL-LBPRGKRZSA-N 2 1 304.381 3.469 20 0 DGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000044527850 658892609 /nfs/dbraw/zinc/89/26/09/658892609.db2.gz VAULZDMHGJHRCL-LBPRGKRZSA-N 2 1 304.381 3.469 20 0 DGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000062253075 659311774 /nfs/dbraw/zinc/31/17/74/659311774.db2.gz JWBHJRZDGLUJSC-GASCZTMLSA-N 2 1 310.869 3.319 20 0 DGADMP Cc1cccc([C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000929504840 659459672 /nfs/dbraw/zinc/45/96/72/659459672.db2.gz BRXHXJGXQSZDLU-LJQANCHMSA-N 2 1 304.478 3.081 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[NH+]2CCCC2)CC1 ZINC000089909851 659909908 /nfs/dbraw/zinc/90/99/08/659909908.db2.gz AZFQUEHHNOOBDY-GOSISDBHSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCN2CCCC2)CC1 ZINC000089909851 659909911 /nfs/dbraw/zinc/90/99/11/659909911.db2.gz AZFQUEHHNOOBDY-GOSISDBHSA-N 2 1 307.526 3.059 20 0 DGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCN2CCCC2)CC1 ZINC000089909851 659909913 /nfs/dbraw/zinc/90/99/13/659909913.db2.gz AZFQUEHHNOOBDY-GOSISDBHSA-N 2 1 307.526 3.059 20 0 DGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070169497 660039944 /nfs/dbraw/zinc/03/99/44/660039944.db2.gz RYUNWKHSWBNKFT-LBPRGKRZSA-N 2 1 302.340 3.146 20 0 DGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000929842881 661343586 /nfs/dbraw/zinc/34/35/86/661343586.db2.gz FECCNKIWPCYBNW-BSDSXHPESA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000929842881 661343588 /nfs/dbraw/zinc/34/35/88/661343588.db2.gz FECCNKIWPCYBNW-BSDSXHPESA-N 2 1 320.427 3.451 20 0 DGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC[C@H]21 ZINC000929842881 661343589 /nfs/dbraw/zinc/34/35/89/661343589.db2.gz FECCNKIWPCYBNW-BSDSXHPESA-N 2 1 320.427 3.451 20 0 DGADMP Cc1nnsc1[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117303 661368142 /nfs/dbraw/zinc/36/81/42/661368142.db2.gz JIWAEOQBOAFPHY-ZDUSSCGKSA-N 2 1 304.463 3.101 20 0 DGADMP Cc1nnsc1[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117303 661368144 /nfs/dbraw/zinc/36/81/44/661368144.db2.gz JIWAEOQBOAFPHY-ZDUSSCGKSA-N 2 1 304.463 3.101 20 0 DGADMP Cc1nnsc1[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117302 661368271 /nfs/dbraw/zinc/36/82/71/661368271.db2.gz JIWAEOQBOAFPHY-CYBMUJFWSA-N 2 1 304.463 3.101 20 0 DGADMP Cc1nnsc1[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117302 661368273 /nfs/dbraw/zinc/36/82/73/661368273.db2.gz JIWAEOQBOAFPHY-CYBMUJFWSA-N 2 1 304.463 3.101 20 0 DGADMP COC/C(C)=C\C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930170051 661373475 /nfs/dbraw/zinc/37/34/75/661373475.db2.gz QXHUUDOGCKZFBS-FMQZQXMHSA-N 2 1 317.477 3.213 20 0 DGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600744 661414268 /nfs/dbraw/zinc/41/42/68/661414268.db2.gz AQBGVUBJZXJVLY-LJQANCHMSA-N 2 1 311.429 3.259 20 0 DGADMP CCCC[N@@H+](CCc1cncn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033589 661447087 /nfs/dbraw/zinc/44/70/87/661447087.db2.gz IRUCLEVDABVBAG-UHFFFAOYSA-N 2 1 320.525 3.374 20 0 DGADMP CCCC[N@H+](Cc1cncn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034440 661447118 /nfs/dbraw/zinc/44/71/18/661447118.db2.gz SSDJWDOROXVSOT-UHFFFAOYSA-N 2 1 306.498 3.331 20 0 DGADMP CCCC[N@@H+](Cc1cncn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034440 661447120 /nfs/dbraw/zinc/44/71/20/661447120.db2.gz SSDJWDOROXVSOT-UHFFFAOYSA-N 2 1 306.498 3.331 20 0 DGADMP CCCC[N@@H+](CC[C@@H]1CCOC1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034796 661447394 /nfs/dbraw/zinc/44/73/94/661447394.db2.gz XKZTUOFHDJATLJ-OAHLLOKOSA-N 2 1 324.509 3.351 20 0 DGADMP C[NH+]1C[C@]2(C)C[NH+](C3CC(OCc4ccccc4)C3)C[C@@]2(C)C1 ZINC000931313692 661466143 /nfs/dbraw/zinc/46/61/43/661466143.db2.gz FPPLNBVZDJCRLI-NTFDOXNWSA-N 2 1 314.473 3.008 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933084325 661617067 /nfs/dbraw/zinc/61/70/67/661617067.db2.gz PKMAICAQPAMGLN-GOSISDBHSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933084325 661617069 /nfs/dbraw/zinc/61/70/69/661617069.db2.gz PKMAICAQPAMGLN-GOSISDBHSA-N 2 1 305.466 3.110 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCCC4)O3)C[C@]2(C)C1 ZINC000933731840 661654941 /nfs/dbraw/zinc/65/49/41/661654941.db2.gz BXBDXICNCMFYJA-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)C[C@]2(C)C1 ZINC000933731840 661654943 /nfs/dbraw/zinc/65/49/43/661654943.db2.gz BXBDXICNCMFYJA-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)C[C@]2(C)C1 ZINC000933731840 661654945 /nfs/dbraw/zinc/65/49/45/661654945.db2.gz BXBDXICNCMFYJA-SQNIBIBYSA-N 2 1 306.494 3.142 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934832207 661737897 /nfs/dbraw/zinc/73/78/97/661737897.db2.gz AATFWWBRKYFTCD-QZTJIDSGSA-N 2 1 305.466 3.110 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934832207 661737899 /nfs/dbraw/zinc/73/78/99/661737899.db2.gz AATFWWBRKYFTCD-QZTJIDSGSA-N 2 1 305.466 3.110 20 0 DGADMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000192747888 662110306 /nfs/dbraw/zinc/11/03/06/662110306.db2.gz LVFZKCSUABIALF-HNNXBMFYSA-N 2 1 320.477 3.365 20 0 DGADMP Brc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000084746310 662203382 /nfs/dbraw/zinc/20/33/82/662203382.db2.gz TXDIKFGYMMIMTO-UHFFFAOYSA-N 2 1 309.251 3.025 20 0 DGADMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000089936174 662250883 /nfs/dbraw/zinc/25/08/83/662250883.db2.gz IBJXOTLYLFBHDL-HZPDHXFCSA-N 2 1 316.580 3.421 20 0 DGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000247122929 662301935 /nfs/dbraw/zinc/30/19/35/662301935.db2.gz PTCFEPKWZQPLLJ-BJLQDIEVSA-N 2 1 315.505 3.284 20 0 DGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cscn1 ZINC000092821445 662336051 /nfs/dbraw/zinc/33/60/51/662336051.db2.gz YERSGSGPJYYVNJ-UHFFFAOYSA-N 2 1 316.474 3.277 20 0 DGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cscn1 ZINC000092821445 662336053 /nfs/dbraw/zinc/33/60/53/662336053.db2.gz YERSGSGPJYYVNJ-UHFFFAOYSA-N 2 1 316.474 3.277 20 0 DGADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000378897615 685146381 /nfs/dbraw/zinc/14/63/81/685146381.db2.gz VKUHOTLPXOXBNL-IRXDYDNUSA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000378897615 685146386 /nfs/dbraw/zinc/14/63/86/685146386.db2.gz VKUHOTLPXOXBNL-IRXDYDNUSA-N 2 1 318.461 3.199 20 0 DGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(C)C ZINC000378897615 685146390 /nfs/dbraw/zinc/14/63/90/685146390.db2.gz VKUHOTLPXOXBNL-IRXDYDNUSA-N 2 1 318.461 3.199 20 0 DGADMP CC(C)(C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381912112 685160473 /nfs/dbraw/zinc/16/04/73/685160473.db2.gz AVTPIBHYQYDXIV-QGZVFWFLSA-N 2 1 316.493 3.201 20 0 DGADMP C[N@@H+](Cc1c(F)cccc1Br)C1CCC([NH3+])CC1 ZINC000394691656 685223304 /nfs/dbraw/zinc/22/33/04/685223304.db2.gz BJFAYEIIUUCCOH-UHFFFAOYSA-N 2 1 315.230 3.290 20 0 DGADMP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576857229 1191871182 /nfs/dbraw/zinc/87/11/82/1191871182.db2.gz ZUAYFRWFBSUPKJ-WRFANHODSA-N 2 1 308.853 3.229 20 0 DGADMP C[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC2(CC[NH2+]CC2)O1 ZINC001576799922 1191870039 /nfs/dbraw/zinc/87/00/39/1191870039.db2.gz DGOVNUVGIUFANW-SUMWQHHRSA-N 2 1 320.864 3.170 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1[NH3+] ZINC001576809486 1191870547 /nfs/dbraw/zinc/87/05/47/1191870547.db2.gz ZUABASCUJDVDSK-XHDPSFHLSA-N 2 1 306.356 3.394 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1[NH3+] ZINC001576809486 1191870550 /nfs/dbraw/zinc/87/05/50/1191870550.db2.gz ZUABASCUJDVDSK-XHDPSFHLSA-N 2 1 306.356 3.394 20 0 DGADMP C[C@@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CC[C@@H]1[NH3+] ZINC001576808341 1191870796 /nfs/dbraw/zinc/87/07/96/1191870796.db2.gz BCCDSJLESOTOJA-YGRLFVJLSA-N 2 1 323.234 3.364 20 0 DGADMP C[C@@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CC[C@@H]1[NH3+] ZINC001576808341 1191870799 /nfs/dbraw/zinc/87/07/99/1191870799.db2.gz BCCDSJLESOTOJA-YGRLFVJLSA-N 2 1 323.234 3.364 20 0 DGADMP CC[C@@H]1C[N@@H+](C/C(C)=C\c2ccccc2COC)CC[C@@H]1[NH3+] ZINC001577279736 1191891781 /nfs/dbraw/zinc/89/17/81/1191891781.db2.gz PAKOZUXWNQVHDY-WRHXIEKYSA-N 2 1 302.462 3.296 20 0 DGADMP CC[N@@H+](Cc1cccc(Br)c1)CC1(C[NH3+])CCC1 ZINC001577738532 1191914237 /nfs/dbraw/zinc/91/42/37/1191914237.db2.gz YZADFUOKXGTSTR-UHFFFAOYSA-N 2 1 311.267 3.400 20 0 DGADMP CN(C)c1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)c2ccccc21 ZINC001578430463 1191943047 /nfs/dbraw/zinc/94/30/47/1191943047.db2.gz UKAAXMCHRXUGME-UHFFFAOYSA-N 2 1 312.461 3.003 20 0 DGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC001578528033 1191947147 /nfs/dbraw/zinc/94/71/47/1191947147.db2.gz BJLKOOHRRNYRJO-INIZCTEOSA-N 2 1 324.472 3.152 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC001578528033 1191947149 /nfs/dbraw/zinc/94/71/49/1191947149.db2.gz BJLKOOHRRNYRJO-INIZCTEOSA-N 2 1 324.472 3.152 20 0 DGADMP COc1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)ccn1 ZINC001579149246 1191967455 /nfs/dbraw/zinc/96/74/55/1191967455.db2.gz RIABBXWHDMCSJY-YJBOKZPZSA-N 2 1 317.477 3.210 20 0 DGADMP COc1ccc([C@@H](C)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001579192643 1191968404 /nfs/dbraw/zinc/96/84/04/1191968404.db2.gz DLKPHFNZEHNNBV-QFBILLFUSA-N 2 1 302.462 3.264 20 0 DGADMP COc1ccc2oc(C[NH2+]Cc3ccc(C[NH3+])cc3F)cc2c1 ZINC001579258473 1191970775 /nfs/dbraw/zinc/97/07/75/1191970775.db2.gz HDFXHDKLBYVECZ-UHFFFAOYSA-N 2 1 314.360 3.329 20 0 DGADMP Cc1n[nH]c(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514384 1191978506 /nfs/dbraw/zinc/97/85/06/1191978506.db2.gz OCTLBCDAAPEXGW-NVXWUHKLSA-N 2 1 304.482 3.146 20 0 DGADMP Cc1cc(Br)c2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001579551599 1191979429 /nfs/dbraw/zinc/97/94/29/1191979429.db2.gz NXSGPWGCHYGEGH-UHFFFAOYSA-N 2 1 323.278 3.115 20 0 DGADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC001579685327 1191986876 /nfs/dbraw/zinc/98/68/76/1191986876.db2.gz KTMXTASKOVQTGO-HZPDHXFCSA-N 2 1 314.395 3.387 20 0 DGADMP Cc1ccc2c(C[NH2+][C@@]3(C[NH3+])CCCC[C@H]3C)cc(=O)oc2c1 ZINC001579736895 1191989930 /nfs/dbraw/zinc/98/99/30/1191989930.db2.gz BQKNPNPPXOTZNC-AUUYWEPGSA-N 2 1 314.429 3.099 20 0 DGADMP Cc1ccc2c(C[NH2+][C@]3(C[NH3+])CCCC[C@@H]3C)cc(=O)oc2c1 ZINC001579736898 1191989936 /nfs/dbraw/zinc/98/99/36/1191989936.db2.gz BQKNPNPPXOTZNC-LIRRHRJNSA-N 2 1 314.429 3.099 20 0 DGADMP Clc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C3C[NH2+]C3)no2)c1 ZINC001579938779 1192000257 /nfs/dbraw/zinc/00/02/57/1192000257.db2.gz LJTTVOZLJRBHHT-KRWDZBQOSA-N 2 1 317.820 3.352 20 0 DGADMP Clc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C3C[NH2+]C3)no2)c1 ZINC001579938779 1192000259 /nfs/dbraw/zinc/00/02/59/1192000259.db2.gz LJTTVOZLJRBHHT-KRWDZBQOSA-N 2 1 317.820 3.352 20 0 DGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC001580175849 1192011972 /nfs/dbraw/zinc/01/19/72/1192011972.db2.gz HCZHMRNUBIPMAH-CHWSQXEVSA-N 2 1 303.431 3.185 20 0 DGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC001580175850 1192011989 /nfs/dbraw/zinc/01/19/89/1192011989.db2.gz HCZHMRNUBIPMAH-OLZOCXBDSA-N 2 1 303.431 3.185 20 0 DGADMP [NH3+]Cc1cccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC001580342921 1192022793 /nfs/dbraw/zinc/02/27/93/1192022793.db2.gz OMJQBWDEKWOZHV-UHFFFAOYSA-N 2 1 315.505 3.233 20 0 DGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC[C@H]1C(F)(F)F ZINC001580274239 1192018679 /nfs/dbraw/zinc/01/86/79/1192018679.db2.gz HQFIKPRYJFJXED-ZIAGYGMSSA-N 2 1 311.351 3.127 20 0 DGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CC[C@H]1C(F)(F)F ZINC001580274239 1192018682 /nfs/dbraw/zinc/01/86/82/1192018682.db2.gz HQFIKPRYJFJXED-ZIAGYGMSSA-N 2 1 311.351 3.127 20 0 DGADMP OC1(C[N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc2)CCCC1 ZINC001580878098 1192043436 /nfs/dbraw/zinc/04/34/36/1192043436.db2.gz KHFNLOZPPODEBY-GOSISDBHSA-N 2 1 316.489 3.183 20 0 DGADMP CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCCC1)C1CCCCC1 ZINC001583718606 1192157704 /nfs/dbraw/zinc/15/77/04/1192157704.db2.gz LJJKIQIBFDHEHP-UHFFFAOYSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(C)n1 ZINC001620897673 1192562681 /nfs/dbraw/zinc/56/26/81/1192562681.db2.gz RLPRHZRZXVCHKP-AEFFLSMTSA-N 2 1 301.478 3.441 20 0 DGADMP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001620897646 1192562716 /nfs/dbraw/zinc/56/27/16/1192562716.db2.gz QJWBBFCRLVORJA-JKSUJKDBSA-N 2 1 312.461 3.077 20 0 DGADMP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001620897646 1192562719 /nfs/dbraw/zinc/56/27/19/1192562719.db2.gz QJWBBFCRLVORJA-JKSUJKDBSA-N 2 1 312.461 3.077 20 0 DGADMP CCOc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001620898514 1192564134 /nfs/dbraw/zinc/56/41/34/1192564134.db2.gz WATHZBGMQICIOE-MRXNPFEDSA-N 2 1 320.477 3.448 20 0 DGADMP COC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001620898182 1192564361 /nfs/dbraw/zinc/56/43/61/1192564361.db2.gz KPXMTWIUMBXWNJ-MRXNPFEDSA-N 2 1 318.461 3.136 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000323296808 1176638020 /nfs/dbraw/zinc/63/80/20/1176638020.db2.gz NDOATGHASWYKDJ-WMZOPIPTSA-N 2 1 316.489 3.480 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001752832847 1177262446 /nfs/dbraw/zinc/26/24/46/1177262446.db2.gz NQEFJCZOLFTEQK-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](C)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000129980750 1177358236 /nfs/dbraw/zinc/35/82/36/1177358236.db2.gz DKYKKTFBTWPYFY-PMUMKWKESA-N 2 1 316.493 3.477 20 0 DGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964647 1178322528 /nfs/dbraw/zinc/32/25/28/1178322528.db2.gz JRGNKVRNCCKVMF-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)C1 ZINC001331964647 1178322536 /nfs/dbraw/zinc/32/25/36/1178322536.db2.gz JRGNKVRNCCKVMF-OLZOCXBDSA-N 2 1 315.383 3.483 20 0 DGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001332358297 1178426193 /nfs/dbraw/zinc/42/61/93/1178426193.db2.gz GTBPKQRDIAHVCC-UHFFFAOYSA-N 2 1 313.489 3.252 20 0 DGADMP Cc1cccc([C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001333312084 1178585949 /nfs/dbraw/zinc/58/59/49/1178585949.db2.gz JOSQTWRLCGNXEP-IMFGXOCKSA-N 2 1 316.489 3.271 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)C[C@H]2C1 ZINC001333891051 1178691402 /nfs/dbraw/zinc/69/14/02/1178691402.db2.gz ISACESLKYGTLRJ-BFHYXJOUSA-N 2 1 322.884 3.103 20 0 DGADMP COC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001335382607 1178902251 /nfs/dbraw/zinc/90/22/51/1178902251.db2.gz PHESHUYRWSIFDY-FRQCXROJSA-N 2 1 302.462 3.010 20 0 DGADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1C ZINC001335583935 1178933679 /nfs/dbraw/zinc/93/36/79/1178933679.db2.gz SWLINLKVWXZERH-RCCFBDPRSA-N 2 1 318.509 3.072 20 0 DGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC001342092170 1179102648 /nfs/dbraw/zinc/10/26/48/1179102648.db2.gz CFGSFWDCAZIONS-GOEBONIOSA-N 2 1 303.450 3.028 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)nc3)C[C@H]2C1 ZINC001343333542 1179257785 /nfs/dbraw/zinc/25/77/85/1179257785.db2.gz POYCNOGJXWFITB-RBSFLKMASA-N 2 1 309.404 3.181 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)nc3)C[C@@H]2C1 ZINC001343333533 1179258434 /nfs/dbraw/zinc/25/84/34/1179258434.db2.gz POYCNOGJXWFITB-QLFBSQMISA-N 2 1 309.404 3.181 20 0 DGADMP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001343333449 1179258464 /nfs/dbraw/zinc/25/84/64/1179258464.db2.gz OJGSMXDYSUSZTJ-SOUVJXGZSA-N 2 1 307.507 3.429 20 0 DGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC001345605957 1179578443 /nfs/dbraw/zinc/57/84/43/1179578443.db2.gz MOSZCBAOHLIDNJ-HZPDHXFCSA-N 2 1 323.868 3.131 20 0 DGADMP Fc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2ncccc12 ZINC001345955274 1179629634 /nfs/dbraw/zinc/62/96/34/1179629634.db2.gz DDHNOPJHDGVPMC-UHFFFAOYSA-N 2 1 313.420 3.340 20 0 DGADMP CC(C)(c1nc([C@H]([NH3+])c2ccccc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC001349297648 1179888979 /nfs/dbraw/zinc/88/89/79/1179888979.db2.gz AHBFVLBDOCKXTI-CVEARBPZSA-N 2 1 322.412 3.095 20 0 DGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001350357371 1180059992 /nfs/dbraw/zinc/05/99/92/1180059992.db2.gz BQVPESUMHWOIDZ-RYRKJORJSA-N 2 1 302.462 3.468 20 0 DGADMP COc1ccc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC001351989693 1180274190 /nfs/dbraw/zinc/27/41/90/1180274190.db2.gz HFSUJAPKTXHQDQ-KDOFPFPSSA-N 2 1 311.429 3.164 20 0 DGADMP C[C@@H]1Cc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)ccc2O1 ZINC001352113143 1180297566 /nfs/dbraw/zinc/29/75/66/1180297566.db2.gz PYEKWSBYYBEGKI-XIVBQZFQSA-N 2 1 314.473 3.172 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(C(C)(C)C)co3)C[C@H]2C1 ZINC001352114267 1180298990 /nfs/dbraw/zinc/29/89/90/1180298990.db2.gz ZTAQALZIFZYNCC-RBSFLKMASA-N 2 1 305.466 3.134 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001200715165 1180847735 /nfs/dbraw/zinc/84/77/35/1180847735.db2.gz QGYXJBHXWRQGKE-PBHICJAKSA-N 2 1 318.490 3.261 20 0 DGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001200715165 1180847744 /nfs/dbraw/zinc/84/77/44/1180847744.db2.gz QGYXJBHXWRQGKE-PBHICJAKSA-N 2 1 318.490 3.261 20 0 DGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccn2C(F)F)[C@H](c2ccccc2)C1 ZINC001474595221 1181593816 /nfs/dbraw/zinc/59/38/16/1181593816.db2.gz IBSGJIVLFGTWME-WBVHZDCISA-N 2 1 319.399 3.318 20 0 DGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001364704663 1181682268 /nfs/dbraw/zinc/68/22/68/1181682268.db2.gz MLKGSUZWVBJYJB-UHFFFAOYSA-N 2 1 319.424 3.243 20 0 DGADMP CCc1ccc(CC[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC001459624934 1182599640 /nfs/dbraw/zinc/59/96/40/1182599640.db2.gz BZUFJACAMIEQGC-FQEVSTJZSA-N 2 1 318.505 3.224 20 0 DGADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001459779718 1182615688 /nfs/dbraw/zinc/61/56/88/1182615688.db2.gz QKIQFZLSQGDAJZ-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CN1C ZINC001459779718 1182615691 /nfs/dbraw/zinc/61/56/91/1182615691.db2.gz QKIQFZLSQGDAJZ-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CN1C ZINC001459779718 1182615694 /nfs/dbraw/zinc/61/56/94/1182615694.db2.gz QKIQFZLSQGDAJZ-ROUUACIJSA-N 2 1 315.505 3.197 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827620 1182621076 /nfs/dbraw/zinc/62/10/76/1182621076.db2.gz WZAJTBLEZYDETO-VQTJNVASSA-N 2 1 318.505 3.428 20 0 DGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001459827620 1182621080 /nfs/dbraw/zinc/62/10/80/1182621080.db2.gz WZAJTBLEZYDETO-VQTJNVASSA-N 2 1 318.505 3.428 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017306 1182640689 /nfs/dbraw/zinc/64/06/89/1182640689.db2.gz CBWRXGIZHODYGZ-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017306 1182640694 /nfs/dbraw/zinc/64/06/94/1182640694.db2.gz CBWRXGIZHODYGZ-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017306 1182640697 /nfs/dbraw/zinc/64/06/97/1182640697.db2.gz CBWRXGIZHODYGZ-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001460017306 1182640702 /nfs/dbraw/zinc/64/07/02/1182640702.db2.gz CBWRXGIZHODYGZ-RTBURBONSA-N 2 1 318.505 3.237 20 0 DGADMP CC[N@H+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC001460091331 1182649647 /nfs/dbraw/zinc/64/96/47/1182649647.db2.gz VGSFDTYWXNAXOD-GOSISDBHSA-N 2 1 315.505 3.199 20 0 DGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC2CCC1CC2 ZINC001460601192 1182699266 /nfs/dbraw/zinc/69/92/66/1182699266.db2.gz ABTDXPQIKHHEFE-KVZIAJEVSA-N 2 1 308.510 3.103 20 0 DGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001460689307 1182708243 /nfs/dbraw/zinc/70/82/43/1182708243.db2.gz HPXNIORHVNVDTK-QGZVFWFLSA-N 2 1 324.509 3.305 20 0 DGADMP C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824208 1182727060 /nfs/dbraw/zinc/72/70/60/1182727060.db2.gz GVBSSHOELLZIPF-WFASDCNBSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824208 1182727067 /nfs/dbraw/zinc/72/70/67/1182727067.db2.gz GVBSSHOELLZIPF-WFASDCNBSA-N 2 1 308.853 3.410 20 0 DGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(Cl)cc2c1OCC2 ZINC001460824208 1182727072 /nfs/dbraw/zinc/72/70/72/1182727072.db2.gz GVBSSHOELLZIPF-WFASDCNBSA-N 2 1 308.853 3.410 20 0 DGADMP CCCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001460836410 1182728713 /nfs/dbraw/zinc/72/87/13/1182728713.db2.gz MNTMAQIJKLYSQO-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP CCCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001460836410 1182728718 /nfs/dbraw/zinc/72/87/18/1182728718.db2.gz MNTMAQIJKLYSQO-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP CCCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001460836410 1182728725 /nfs/dbraw/zinc/72/87/25/1182728725.db2.gz MNTMAQIJKLYSQO-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP CCCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001460836410 1182728729 /nfs/dbraw/zinc/72/87/29/1182728729.db2.gz MNTMAQIJKLYSQO-UHFFFAOYSA-N 2 1 304.478 3.401 20 0 DGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)CCO1 ZINC001460972525 1182748693 /nfs/dbraw/zinc/74/86/93/1182748693.db2.gz KLYYCXFMUKOWEJ-BZUAXINKSA-N 2 1 305.466 3.385 20 0 DGADMP Cc1cn(C)nc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001461004613 1182755248 /nfs/dbraw/zinc/75/52/48/1182755248.db2.gz HWPLKIVAOHOPPV-UHFFFAOYSA-N 2 1 312.461 3.004 20 0 DGADMP COCc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC001461041866 1182759935 /nfs/dbraw/zinc/75/99/35/1182759935.db2.gz UBRBJUUWATZDIM-UHFFFAOYSA-N 2 1 324.468 3.371 20 0 DGADMP COCc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC001461041866 1182759938 /nfs/dbraw/zinc/75/99/38/1182759938.db2.gz UBRBJUUWATZDIM-UHFFFAOYSA-N 2 1 324.468 3.371 20 0 DGADMP C[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)CC1CCCCC1 ZINC001461168413 1182776844 /nfs/dbraw/zinc/77/68/44/1182776844.db2.gz BNUBNNXRAWMKQA-GOSISDBHSA-N 2 1 323.569 3.456 20 0 DGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001461485000 1182819467 /nfs/dbraw/zinc/81/94/67/1182819467.db2.gz UEMRNLSTGLPKGN-ZACQAIPSSA-N 2 1 312.498 3.208 20 0 DGADMP C[C@@H]1Cc2cc(CNC[C@@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679802 1182842431 /nfs/dbraw/zinc/84/24/31/1182842431.db2.gz IQDIEZXVYXUQES-KDOFPFPSSA-N 2 1 300.446 3.117 20 0 DGADMP C[C@@H]1Cc2cc(CNC[C@@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679802 1182842440 /nfs/dbraw/zinc/84/24/40/1182842440.db2.gz IQDIEZXVYXUQES-KDOFPFPSSA-N 2 1 300.446 3.117 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCCC[NH+]1C ZINC001461806691 1182859089 /nfs/dbraw/zinc/85/90/89/1182859089.db2.gz LWOOTUZGYZMTFL-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCCC[N@@H+]1C ZINC001461806691 1182859097 /nfs/dbraw/zinc/85/90/97/1182859097.db2.gz LWOOTUZGYZMTFL-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCCC[N@H+]1C ZINC001461806691 1182859108 /nfs/dbraw/zinc/85/91/08/1182859108.db2.gz LWOOTUZGYZMTFL-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CN1CCCC[C@@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001461806691 1182859121 /nfs/dbraw/zinc/85/91/21/1182859121.db2.gz LWOOTUZGYZMTFL-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CN1CCCC[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001461806691 1182859128 /nfs/dbraw/zinc/85/91/28/1182859128.db2.gz LWOOTUZGYZMTFL-LJQANCHMSA-N 2 1 317.521 3.219 20 0 DGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC1CC1 ZINC001462356411 1182942240 /nfs/dbraw/zinc/94/22/40/1182942240.db2.gz OTFFBMHZAFMYJU-PWIZWCRZSA-N 2 1 316.489 3.302 20 0 DGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC1CC1 ZINC001462356411 1182942244 /nfs/dbraw/zinc/94/22/44/1182942244.db2.gz OTFFBMHZAFMYJU-PWIZWCRZSA-N 2 1 316.489 3.302 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470331 1182957881 /nfs/dbraw/zinc/95/78/81/1182957881.db2.gz JJYMCJDPLVCCPN-VQIMIIECSA-N 2 1 318.509 3.235 20 0 DGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(CC2CCC2)c1 ZINC001462470331 1182957888 /nfs/dbraw/zinc/95/78/88/1182957888.db2.gz JJYMCJDPLVCCPN-VQIMIIECSA-N 2 1 318.509 3.235 20 0 DGADMP CCOC(=O)CC(C)(C)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001462568818 1182970244 /nfs/dbraw/zinc/97/02/44/1182970244.db2.gz YXFDXMRBVCTFBV-UHFFFAOYSA-N 2 1 324.509 3.306 20 0 DGADMP CCO[C@H](C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)C[NH+](C)C ZINC001462573827 1182971190 /nfs/dbraw/zinc/97/11/90/1182971190.db2.gz POFZZNUTNGESRU-QRVBRYPASA-N 2 1 304.478 3.269 20 0 DGADMP C[N@H+]1C[C@@H]2CN(Cc3ccc(CC(F)(F)F)cc3)C[C@]2(C)C1 ZINC001462618537 1182976445 /nfs/dbraw/zinc/97/64/45/1182976445.db2.gz MNFDNYUCUNRYAV-CVEARBPZSA-N 2 1 312.379 3.175 20 0 DGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)C[C@]2(C)C1 ZINC001462618537 1182976450 /nfs/dbraw/zinc/97/64/50/1182976450.db2.gz MNFDNYUCUNRYAV-CVEARBPZSA-N 2 1 312.379 3.175 20 0 DGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)C[C@]2(C)C1 ZINC001462618537 1182976454 /nfs/dbraw/zinc/97/64/54/1182976454.db2.gz MNFDNYUCUNRYAV-CVEARBPZSA-N 2 1 312.379 3.175 20 0 DGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001468889861 1183366604 /nfs/dbraw/zinc/36/66/04/1183366604.db2.gz PWQYBVUYRPFOSO-KRWDZBQOSA-N 2 1 317.477 3.116 20 0 DGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001473192357 1183727484 /nfs/dbraw/zinc/72/74/84/1183727484.db2.gz UCJIIARFGMLHNW-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP COC[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001473190262 1183727572 /nfs/dbraw/zinc/72/75/72/1183727572.db2.gz OJZIWRFAUVLYKI-PMACEKPBSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001473190262 1183727573 /nfs/dbraw/zinc/72/75/73/1183727573.db2.gz OJZIWRFAUVLYKI-PMACEKPBSA-N 2 1 318.505 3.359 20 0 DGADMP COC[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001473190262 1183727575 /nfs/dbraw/zinc/72/75/75/1183727575.db2.gz OJZIWRFAUVLYKI-PMACEKPBSA-N 2 1 318.505 3.359 20 0 DGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210031 1183730303 /nfs/dbraw/zinc/73/03/03/1183730303.db2.gz BEHXEHJZWOPCRF-HOCLYGCPSA-N 2 1 313.445 3.245 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210031 1183730306 /nfs/dbraw/zinc/73/03/06/1183730306.db2.gz BEHXEHJZWOPCRF-HOCLYGCPSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210031 1183730309 /nfs/dbraw/zinc/73/03/09/1183730309.db2.gz BEHXEHJZWOPCRF-HOCLYGCPSA-N 2 1 313.445 3.245 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC001473210031 1183730311 /nfs/dbraw/zinc/73/03/11/1183730311.db2.gz BEHXEHJZWOPCRF-HOCLYGCPSA-N 2 1 313.445 3.245 20 0 DGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001473523594 1183768532 /nfs/dbraw/zinc/76/85/32/1183768532.db2.gz KEAKUDAUYAWXJB-KRWDZBQOSA-N 2 1 317.521 3.052 20 0 DGADMP CCc1ccc(C2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001473692051 1183790206 /nfs/dbraw/zinc/79/02/06/1183790206.db2.gz SHBXLZZLRHNARA-FQEVSTJZSA-N 2 1 318.505 3.130 20 0 DGADMP CCc1ccc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001473692051 1183790209 /nfs/dbraw/zinc/79/02/09/1183790209.db2.gz SHBXLZZLRHNARA-FQEVSTJZSA-N 2 1 318.505 3.130 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@]12C[C@H]1CCCC2 ZINC001473711598 1183792299 /nfs/dbraw/zinc/79/22/99/1183792299.db2.gz UGLDGAZFRRRURF-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@]12C[C@H]1CCCC2 ZINC001473711598 1183792300 /nfs/dbraw/zinc/79/23/00/1183792300.db2.gz UGLDGAZFRRRURF-RNQOJCNYSA-N 2 1 316.489 3.038 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473876233 1183815306 /nfs/dbraw/zinc/81/53/06/1183815306.db2.gz AMFYRZSJERQBEI-RTBURBONSA-N 2 1 318.509 3.166 20 0 DGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473876233 1183815330 /nfs/dbraw/zinc/81/53/30/1183815330.db2.gz AMFYRZSJERQBEI-RTBURBONSA-N 2 1 318.509 3.166 20 0 DGADMP C[N@H+]1C[C@]23C[NH+](CCOC4CCCCC4)C[C@@]2(C1)CCCC3 ZINC001473900487 1183822797 /nfs/dbraw/zinc/82/27/97/1183822797.db2.gz CACZPYXONOTSIT-KDURUIRLSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1C[C@]23C[N@H+](CCOC4CCCCC4)C[C@@]2(C1)CCCC3 ZINC001473900487 1183822798 /nfs/dbraw/zinc/82/27/98/1183822798.db2.gz CACZPYXONOTSIT-KDURUIRLSA-N 2 1 306.494 3.144 20 0 DGADMP C[NH+]1C[C@]23C[N@@H+](CCOC4CCCCC4)C[C@@]2(C1)CCCC3 ZINC001473900487 1183822800 /nfs/dbraw/zinc/82/28/00/1183822800.db2.gz CACZPYXONOTSIT-KDURUIRLSA-N 2 1 306.494 3.144 20 0 DGADMP CC[N@@H+](C)[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001473907703 1183824232 /nfs/dbraw/zinc/82/42/32/1183824232.db2.gz NXQBDMLMZMEXNG-FQEVSTJZSA-N 2 1 315.505 3.199 20 0 DGADMP CN(C)c1ccccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC001473917858 1183826687 /nfs/dbraw/zinc/82/66/87/1183826687.db2.gz UZABIKJQQZRKAX-UHFFFAOYSA-N 2 1 311.473 3.364 20 0 DGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC001473937079 1183833711 /nfs/dbraw/zinc/83/37/11/1183833711.db2.gz KOBCLYTUEGOFPN-HNNXBMFYSA-N 2 1 318.440 3.218 20 0 DGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001474019354 1183851027 /nfs/dbraw/zinc/85/10/27/1183851027.db2.gz XFQCCTZUXBSCLJ-UHFFFAOYSA-N 2 1 319.836 3.350 20 0 DGADMP COCCOc1ccccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001474108956 1183868628 /nfs/dbraw/zinc/86/86/28/1183868628.db2.gz MHNHAPJNUSPHKM-QGZVFWFLSA-N 2 1 320.477 3.066 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC001474302654 1183901221 /nfs/dbraw/zinc/90/12/21/1183901221.db2.gz CFMXTKRXADXGJO-BZSNNMDCSA-N 2 1 314.473 3.220 20 0 DGADMP CCOc1cc(F)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC001474319631 1183903215 /nfs/dbraw/zinc/90/32/15/1183903215.db2.gz YZLYNLXNRNBRSI-RDTXWAMCSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC001474319631 1183903219 /nfs/dbraw/zinc/90/32/19/1183903219.db2.gz YZLYNLXNRNBRSI-RDTXWAMCSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC001474319631 1183903224 /nfs/dbraw/zinc/90/32/24/1183903224.db2.gz YZLYNLXNRNBRSI-RDTXWAMCSA-N 2 1 308.441 3.387 20 0 DGADMP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC001474319631 1183903229 /nfs/dbraw/zinc/90/32/29/1183903229.db2.gz YZLYNLXNRNBRSI-RDTXWAMCSA-N 2 1 308.441 3.387 20 0 DGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccccc1NC ZINC001474503737 1183932073 /nfs/dbraw/zinc/93/20/73/1183932073.db2.gz PFQRNWLCZWCNKG-UHFFFAOYSA-N 2 1 300.450 3.399 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1NC ZINC001474503737 1183932074 /nfs/dbraw/zinc/93/20/74/1183932074.db2.gz PFQRNWLCZWCNKG-UHFFFAOYSA-N 2 1 300.450 3.399 20 0 DGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1NC ZINC001474503737 1183932075 /nfs/dbraw/zinc/93/20/75/1183932075.db2.gz PFQRNWLCZWCNKG-UHFFFAOYSA-N 2 1 300.450 3.399 20 0 DGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@H]1COC(C)(C)O1)C1CCCCC1 ZINC001474614980 1183950280 /nfs/dbraw/zinc/95/02/80/1183950280.db2.gz ITVAOYKREAVUJO-DOTOQJQBSA-N 2 1 312.498 3.161 20 0 DGADMP CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC001474646223 1183954524 /nfs/dbraw/zinc/95/45/24/1183954524.db2.gz DDITYANJSRUXNT-AEFFLSMTSA-N 2 1 318.509 3.090 20 0 DGADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC001474646223 1183954526 /nfs/dbraw/zinc/95/45/26/1183954526.db2.gz DDITYANJSRUXNT-AEFFLSMTSA-N 2 1 318.509 3.090 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC001474757766 1183973522 /nfs/dbraw/zinc/97/35/22/1183973522.db2.gz ZMDMDYYMSYBIMN-DXCKQFNASA-N 2 1 310.844 3.342 20 0 DGADMP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001480350681 1184502511 /nfs/dbraw/zinc/50/25/11/1184502511.db2.gz BJNUEEUKULGCJJ-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001506563685 1186249722 /nfs/dbraw/zinc/24/97/22/1186249722.db2.gz YUGDOVPDJCPOKL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001506563685 1186249729 /nfs/dbraw/zinc/24/97/29/1186249729.db2.gz YUGDOVPDJCPOKL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506563685 1186249736 /nfs/dbraw/zinc/24/97/36/1186249736.db2.gz YUGDOVPDJCPOKL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001506563685 1186249746 /nfs/dbraw/zinc/24/97/46/1186249746.db2.gz YUGDOVPDJCPOKL-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001507372651 1186407021 /nfs/dbraw/zinc/40/70/21/1186407021.db2.gz CFKUAUUNTMCNDX-SJORKVTESA-N 2 1 323.525 3.020 20 0 DGADMP C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C[C@H]1CCC[NH+](C)C1 ZINC001615634623 1193525266 /nfs/dbraw/zinc/52/52/66/1193525266.db2.gz GPFRCVRNLMHMPK-UHOSZYNNSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@H]1CC[C@@H](c2ccccc2)O1)C[C@H]1CCC[N@H+](C)C1 ZINC001615634623 1193525268 /nfs/dbraw/zinc/52/52/68/1193525268.db2.gz GPFRCVRNLMHMPK-UHOSZYNNSA-N 2 1 302.462 3.180 20 0 DGADMP C[NH+](C[C@H]1CC[C@@H](c2ccccc2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC001615634623 1193525269 /nfs/dbraw/zinc/52/52/69/1193525269.db2.gz GPFRCVRNLMHMPK-UHOSZYNNSA-N 2 1 302.462 3.180 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001615744124 1193527463 /nfs/dbraw/zinc/52/74/63/1193527463.db2.gz OJALVHJNYADCRX-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001615744124 1193527465 /nfs/dbraw/zinc/52/74/65/1193527465.db2.gz OJALVHJNYADCRX-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001615744124 1193527469 /nfs/dbraw/zinc/52/74/69/1193527469.db2.gz OJALVHJNYADCRX-ZWKOTPCHSA-N 2 1 308.510 3.390 20 0 DGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001615804563 1193528117 /nfs/dbraw/zinc/52/81/17/1193528117.db2.gz FILQMVUMWAAFOY-QGZVFWFLSA-N 2 1 324.509 3.020 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001615804563 1193528122 /nfs/dbraw/zinc/52/81/22/1193528122.db2.gz FILQMVUMWAAFOY-QGZVFWFLSA-N 2 1 324.509 3.020 20 0 DGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001615804563 1193528125 /nfs/dbraw/zinc/52/81/25/1193528125.db2.gz FILQMVUMWAAFOY-QGZVFWFLSA-N 2 1 324.509 3.020 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001617197873 1193561320 /nfs/dbraw/zinc/56/13/20/1193561320.db2.gz FSYWTPXRRNMBRG-ZDUSSCGKSA-N 2 1 314.832 3.274 20 0 DGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001617197873 1193561323 /nfs/dbraw/zinc/56/13/23/1193561323.db2.gz FSYWTPXRRNMBRG-ZDUSSCGKSA-N 2 1 314.832 3.274 20 0 DGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC001617237537 1193563240 /nfs/dbraw/zinc/56/32/40/1193563240.db2.gz XPLLGSHBCMSUAW-LJQANCHMSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC001617237537 1193563243 /nfs/dbraw/zinc/56/32/43/1193563243.db2.gz XPLLGSHBCMSUAW-LJQANCHMSA-N 2 1 318.505 3.237 20 0 DGADMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC001549037189 1188488572 /nfs/dbraw/zinc/48/85/72/1188488572.db2.gz VITRHBMJKDZZSA-SLFFLAALSA-N 2 1 321.468 3.394 20 0 DGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC001549037189 1188488575 /nfs/dbraw/zinc/48/85/75/1188488575.db2.gz VITRHBMJKDZZSA-SLFFLAALSA-N 2 1 321.468 3.394 20 0 DGADMP CC(C)[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC001549039183 1188489024 /nfs/dbraw/zinc/48/90/24/1188489024.db2.gz UTWBLSQMDYASOV-MKXGPGLRSA-N 2 1 308.510 3.149 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001549285483 1188510192 /nfs/dbraw/zinc/51/01/92/1188510192.db2.gz CARHCXSVTJQBQR-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP C[C@@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001549285483 1188510195 /nfs/dbraw/zinc/51/01/95/1188510195.db2.gz CARHCXSVTJQBQR-JKIFEVAISA-N 2 1 308.853 3.101 20 0 DGADMP O[C@@H]1CC[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]12 ZINC001549607427 1188529814 /nfs/dbraw/zinc/52/98/14/1188529814.db2.gz BXMGQNAZZMQHJY-VAMGGRTRSA-N 2 1 314.473 3.018 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@@H]3C3CCOCC3)CC[NH2+]2)cc1 ZINC001549921623 1188559019 /nfs/dbraw/zinc/55/90/19/1188559019.db2.gz TWJHTOJAEGEFBF-NMLBUPMWSA-N 2 1 314.473 3.132 20 0 DGADMP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@H](c2cncn2C)C1 ZINC001550060835 1188576529 /nfs/dbraw/zinc/57/65/29/1188576529.db2.gz YAYLNLPNDSLNDT-AWEZNQCLSA-N 2 1 316.424 3.005 20 0 DGADMP CCC1CCC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550352252 1188608860 /nfs/dbraw/zinc/60/88/60/1188608860.db2.gz NORJFEDDXONSJW-BLUBZBIGSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H]3CCCC[C@H]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550350854 1188609320 /nfs/dbraw/zinc/60/93/20/1188609320.db2.gz AROKIQGMCRWNDO-KSCVBYKOSA-N 2 1 308.510 3.025 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@@H](C)c3ccccc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550355219 1188610284 /nfs/dbraw/zinc/61/02/84/1188610284.db2.gz QJHWEJWOQAQRKX-ZMHJYQQXSA-N 2 1 316.489 3.207 20 0 DGADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+][C@H](C)c3cccs3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353290 1188610314 /nfs/dbraw/zinc/61/03/14/1188610314.db2.gz KXTDYDURMNUYOT-YONAWACDSA-N 2 1 322.518 3.269 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@H]3C[N@H+](C)CC[C@@H]3C2)o1 ZINC001550541179 1188621936 /nfs/dbraw/zinc/62/19/36/1188621936.db2.gz RTOULIVKVCSBBC-HZPDHXFCSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[NH+]2C[C@H]3C[N@@H+](C)CC[C@@H]3C2)o1 ZINC001550541179 1188621937 /nfs/dbraw/zinc/62/19/37/1188621937.db2.gz RTOULIVKVCSBBC-HZPDHXFCSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)o1 ZINC001550541179 1188621939 /nfs/dbraw/zinc/62/19/39/1188621939.db2.gz RTOULIVKVCSBBC-HZPDHXFCSA-N 2 1 311.429 3.034 20 0 DGADMP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)o1 ZINC001550541179 1188621940 /nfs/dbraw/zinc/62/19/40/1188621940.db2.gz RTOULIVKVCSBBC-HZPDHXFCSA-N 2 1 311.429 3.034 20 0 DGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543170 1188621974 /nfs/dbraw/zinc/62/19/74/1188621974.db2.gz IINBBLJJNPGTOO-AEFFLSMTSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543170 1188621975 /nfs/dbraw/zinc/62/19/75/1188621975.db2.gz IINBBLJJNPGTOO-AEFFLSMTSA-N 2 1 302.462 3.202 20 0 DGADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550543170 1188621976 /nfs/dbraw/zinc/62/19/76/1188621976.db2.gz IINBBLJJNPGTOO-AEFFLSMTSA-N 2 1 302.462 3.202 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001550539909 1188622382 /nfs/dbraw/zinc/62/23/82/1188622382.db2.gz PMXQEWAEVBBKNB-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001550539909 1188622384 /nfs/dbraw/zinc/62/23/84/1188622384.db2.gz PMXQEWAEVBBKNB-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550539909 1188622388 /nfs/dbraw/zinc/62/23/88/1188622388.db2.gz PMXQEWAEVBBKNB-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550539909 1188622392 /nfs/dbraw/zinc/62/23/92/1188622392.db2.gz PMXQEWAEVBBKNB-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001550543651 1188622972 /nfs/dbraw/zinc/62/29/72/1188622972.db2.gz UGNKLNOAKKCQHD-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550543651 1188622974 /nfs/dbraw/zinc/62/29/74/1188622974.db2.gz UGNKLNOAKKCQHD-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550543651 1188622977 /nfs/dbraw/zinc/62/29/77/1188622977.db2.gz UGNKLNOAKKCQHD-DLBZAZTESA-N 2 1 311.429 3.034 20 0 DGADMP Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](c3cncn3C)C2)c1 ZINC001550622743 1188633379 /nfs/dbraw/zinc/63/33/79/1188633379.db2.gz LXXYLMRVDSBKSA-ZDUSSCGKSA-N 2 1 304.825 3.157 20 0 DGADMP Cc1cnc(Cl)c(CN2CCC[C@H](c3cncn3C)C2)c1 ZINC001550622743 1188633381 /nfs/dbraw/zinc/63/33/81/1188633381.db2.gz LXXYLMRVDSBKSA-ZDUSSCGKSA-N 2 1 304.825 3.157 20 0 DGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@@H]32)CC1 ZINC001550642414 1188636722 /nfs/dbraw/zinc/63/67/22/1188636722.db2.gz PUMGSKJNBVBYMA-SLFFLAALSA-N 2 1 314.473 3.323 20 0 DGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@]34CCC[C@@H]3OCC4)CC[NH2+]2)cc1 ZINC001550943790 1188672784 /nfs/dbraw/zinc/67/27/84/1188672784.db2.gz QDAKHLPPVMXPJW-XWSJACJDSA-N 2 1 300.446 3.029 20 0 DGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)o3)C[C@H]2C1 ZINC001551259540 1188722413 /nfs/dbraw/zinc/72/24/13/1188722413.db2.gz GJWDRWLXVJTZFA-JHJVBQTASA-N 2 1 316.367 3.461 20 0 DGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC001551378159 1188731902 /nfs/dbraw/zinc/73/19/02/1188731902.db2.gz HVDJLYLHMXIUAJ-WTOJCKNJSA-N 2 1 311.429 3.477 20 0 DGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@H]2COCC[C@@H]21 ZINC001551391833 1188735280 /nfs/dbraw/zinc/73/52/80/1188735280.db2.gz RXYILGLKXUDIFY-UXHICEINSA-N 2 1 314.473 3.283 20 0 DGADMP CC(C)[C@@H]1CCO[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552162808 1188821595 /nfs/dbraw/zinc/82/15/95/1188821595.db2.gz PEPQULXKUPTDQS-YDZRNGNQSA-N 2 1 302.462 3.130 20 0 DGADMP CO[C@@H]1C[C@H](CF)[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317294 1188835808 /nfs/dbraw/zinc/83/58/08/1188835808.db2.gz LMBKMHGFVBVSTI-RTBURBONSA-N 2 1 320.452 3.231 20 0 DGADMP CO[C@@H]1C[C@H](CF)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001552317294 1188835812 /nfs/dbraw/zinc/83/58/12/1188835812.db2.gz LMBKMHGFVBVSTI-RTBURBONSA-N 2 1 320.452 3.231 20 0 DGADMP OCCC1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001552339400 1188837734 /nfs/dbraw/zinc/83/77/34/1188837734.db2.gz LOMBAWSSJRYGRO-JDGDGYACSA-N 2 1 302.462 3.011 20 0 DGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@@H]1CC[NH3+] ZINC001552973134 1188885940 /nfs/dbraw/zinc/88/59/40/1188885940.db2.gz QQKNZGKBYMEIIW-XGXHKWSGSA-N 2 1 302.462 3.214 20 0 DGADMP CC[NH+](CC)C1CC[NH+](C[C@@](O)(c2ccccc2)C(C)C)CC1 ZINC001559487613 1189209324 /nfs/dbraw/zinc/20/93/24/1189209324.db2.gz JNXNNEWIYMYRAN-FQEVSTJZSA-N 2 1 318.505 3.336 20 0 DGADMP C([C@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1)[NH+]1CCCC1 ZINC001559552651 1189215981 /nfs/dbraw/zinc/21/59/81/1189215981.db2.gz IYEBRVHMYICDNZ-MSOLQXFVSA-N 2 1 306.494 3.144 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696355 1189232017 /nfs/dbraw/zinc/23/20/17/1189232017.db2.gz VSAQSOWRFRSTPH-ROUUACIJSA-N 2 1 324.896 3.474 20 0 DGADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001559738158 1189236984 /nfs/dbraw/zinc/23/69/84/1189236984.db2.gz WYYIEJAIRFGCGT-WBVHZDCISA-N 2 1 302.462 3.438 20 0 DGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC001559946262 1189259663 /nfs/dbraw/zinc/25/96/63/1189259663.db2.gz OZBLOHUQJUFJTI-MJGOQNOKSA-N 2 1 304.478 3.061 20 0 DGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001560282714 1189305135 /nfs/dbraw/zinc/30/51/35/1189305135.db2.gz AXVLNOLLBZUAIF-HNNXBMFYSA-N 2 1 320.525 3.467 20 0 DGADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001560362574 1189318445 /nfs/dbraw/zinc/31/84/45/1189318445.db2.gz PXAKUEPVNNRJCA-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560362574 1189318452 /nfs/dbraw/zinc/31/84/52/1189318452.db2.gz PXAKUEPVNNRJCA-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP CCC[NH+](CC)CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560362574 1189318458 /nfs/dbraw/zinc/31/84/58/1189318458.db2.gz PXAKUEPVNNRJCA-IBGZPJMESA-N 2 1 317.521 3.361 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccc(C)c(C)c2)C1 ZINC001560665661 1189357087 /nfs/dbraw/zinc/35/70/87/1189357087.db2.gz FVRBGGJZGYHBHE-FQEVSTJZSA-N 2 1 318.505 3.279 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC001560667617 1189358099 /nfs/dbraw/zinc/35/80/99/1189358099.db2.gz NJHQTYFGKIYTPR-VQTJNVASSA-N 2 1 316.489 3.306 20 0 DGADMP C[C@H]1C[C@@H]1CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001561050315 1189427055 /nfs/dbraw/zinc/42/70/55/1189427055.db2.gz TWIJVMGBXUVTSB-LSDHHAIUSA-N 2 1 310.445 3.055 20 0 DGADMP Brc1cccc(C2CC([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)c1 ZINC001574447880 1191444780 /nfs/dbraw/zinc/44/47/80/1191444780.db2.gz GYKCXFGXVGMYKR-YHMKUFFLSA-N 2 1 321.262 3.178 20 0 DGADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC001575593625 1191494769 /nfs/dbraw/zinc/49/47/69/1191494769.db2.gz OAKKUFUCGDHDDQ-OALUTQOASA-N 2 1 322.468 3.207 20 0 DGADMP CC(C)Oc1cccc(C[N@H+](C)Cc2cc(C(C)(C)[NH3+])no2)c1 ZINC001575812768 1191508986 /nfs/dbraw/zinc/50/89/86/1191508986.db2.gz BBQRDKKMRUQGHU-UHFFFAOYSA-N 2 1 317.433 3.288 20 0 DGADMP CC(C)c1csc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)n1 ZINC001575867165 1191514414 /nfs/dbraw/zinc/51/44/14/1191514414.db2.gz GUUJSUGIJWPXTK-UHFFFAOYSA-N 2 1 307.488 3.264 20 0 DGADMP C[C@@H](CCO)[N@H+](Cc1ccccc1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001575968000 1191521002 /nfs/dbraw/zinc/52/10/02/1191521002.db2.gz RVOBFSSKPIOUAB-LNLFQRSKSA-N 2 1 304.478 3.025 20 0 DGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117475 1191531939 /nfs/dbraw/zinc/53/19/39/1191531939.db2.gz PTKQRDFEUSXWTA-YLJYHZDGSA-N 3 1 315.505 3.232 20 0 DGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001576380525 1191576144 /nfs/dbraw/zinc/57/61/44/1191576144.db2.gz TYQUGGHYECZGRW-CHWSQXEVSA-N 2 1 323.412 3.304 20 0 DGADMP CC1(C)C[C@H](NCC2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001576393379 1191582007 /nfs/dbraw/zinc/58/20/07/1191582007.db2.gz GWGOVHASTKQFQA-SFHVURJKSA-N 2 1 315.505 3.291 20 0 DGADMP CC1(C)C[C@H]([NH2+]CC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC001576393379 1191582016 /nfs/dbraw/zinc/58/20/16/1191582016.db2.gz GWGOVHASTKQFQA-SFHVURJKSA-N 2 1 315.505 3.291 20 0 DGADMP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070545 1193723842 /nfs/dbraw/zinc/72/38/42/1193723842.db2.gz RAWIBNSZFXOSTK-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001618070545 1193723843 /nfs/dbraw/zinc/72/38/43/1193723843.db2.gz RAWIBNSZFXOSTK-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001618070545 1193723845 /nfs/dbraw/zinc/72/38/45/1193723845.db2.gz RAWIBNSZFXOSTK-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001618070545 1193723848 /nfs/dbraw/zinc/72/38/48/1193723848.db2.gz RAWIBNSZFXOSTK-VQTJNVASSA-N 2 1 318.505 3.380 20 0 DGADMP OC[C@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001619198863 1193756795 /nfs/dbraw/zinc/75/67/95/1193756795.db2.gz PAPDVGFDDXJCPZ-HXUWFJFHSA-N 2 1 316.489 3.409 20 0 DGADMP CC1(C)CCC(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)CC1 ZINC001620470952 1193771526 /nfs/dbraw/zinc/77/15/26/1193771526.db2.gz ZVIRXPDNLAKASI-UHFFFAOYSA-N 2 1 308.510 3.390 20 0 DGADMP CC1(C)CCC(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)CC1 ZINC001620470952 1193771528 /nfs/dbraw/zinc/77/15/28/1193771528.db2.gz ZVIRXPDNLAKASI-UHFFFAOYSA-N 2 1 308.510 3.390 20 0 DGADMP CCc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1 ZINC001620593921 1193781816 /nfs/dbraw/zinc/78/18/16/1193781816.db2.gz BWXAJMQQARDNDI-KRWDZBQOSA-N 2 1 309.457 3.397 20 0 DGADMP CCc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1 ZINC001620593922 1193782133 /nfs/dbraw/zinc/78/21/33/1193782133.db2.gz BWXAJMQQARDNDI-QGZVFWFLSA-N 2 1 309.457 3.397 20 0 DGADMP CCCn1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(C)n1 ZINC001620694355 1193792414 /nfs/dbraw/zinc/79/24/14/1193792414.db2.gz XZZMBZNYPMYBOB-UHFFFAOYSA-N 2 1 306.498 3.346 20 0 DGADMP CCCn1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC001620694355 1193792416 /nfs/dbraw/zinc/79/24/16/1193792416.db2.gz XZZMBZNYPMYBOB-UHFFFAOYSA-N 2 1 306.498 3.346 20 0 DGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000022820963 1193803535 /nfs/dbraw/zinc/80/35/35/1193803535.db2.gz BVBKUNHEHRDABC-UHFFFAOYSA-N 2 1 310.445 3.102 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(F)cc(C(F)(F)F)c3)[C@H]2C1 ZINC001621108147 1193803737 /nfs/dbraw/zinc/80/37/37/1193803737.db2.gz IOXNEEOBVGJRHF-TUKIKUTGSA-N 2 1 316.342 3.274 20 0 DGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC001621387452 1193836770 /nfs/dbraw/zinc/83/67/70/1193836770.db2.gz GTNIUTXVHMVTBV-PKOBYXMFSA-N 2 1 321.553 3.494 20 0 DGADMP CC[NH+]1CCC(C[N@H+](Cc2ccc(C)nc2)CC2CC2)CC1 ZINC001621407587 1193838613 /nfs/dbraw/zinc/83/86/13/1193838613.db2.gz CJSWVPGYOVOXEN-UHFFFAOYSA-N 2 1 301.478 3.334 20 0 DGADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001639272087 1194758213 /nfs/dbraw/zinc/75/82/13/1194758213.db2.gz KEAPDYWKGVGJHQ-NEPJUHHUSA-N 2 1 301.356 3.055 20 0 DGADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+]1C(C)(C)C)C1CCCCC1 ZINC001640838205 1194829845 /nfs/dbraw/zinc/82/98/45/1194829845.db2.gz FONIMODLYYNLDF-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CN(CCSc1ccc(F)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC001641856492 1194875004 /nfs/dbraw/zinc/87/50/04/1194875004.db2.gz RNWRCDDWSSUVQZ-ZDUSSCGKSA-N 2 1 314.445 3.331 20 0 DGADMP C[NH+](CCSc1ccc(F)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC001641856492 1194875014 /nfs/dbraw/zinc/87/50/14/1194875014.db2.gz RNWRCDDWSSUVQZ-ZDUSSCGKSA-N 2 1 314.445 3.331 20 0 DGADMP C[NH+](CCSc1ccc(F)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC001641856492 1194875017 /nfs/dbraw/zinc/87/50/17/1194875017.db2.gz RNWRCDDWSSUVQZ-ZDUSSCGKSA-N 2 1 314.445 3.331 20 0 DGADMP CC(C)CSCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001643584690 1195036380 /nfs/dbraw/zinc/03/63/80/1195036380.db2.gz QBGZLJOWNKRFTB-UHFFFAOYSA-N 2 1 307.507 3.373 20 0 DGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC001644551035 1195116350 /nfs/dbraw/zinc/11/63/50/1195116350.db2.gz CHQZVOQTJWIHHM-IBGZPJMESA-N 2 1 316.489 3.287 20 0 DGADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC001644635588 1195122492 /nfs/dbraw/zinc/12/24/92/1195122492.db2.gz HHZJLBMWQTXJPJ-OTWHNJEPSA-N 2 1 310.526 3.491 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC001644635588 1195122494 /nfs/dbraw/zinc/12/24/94/1195122494.db2.gz HHZJLBMWQTXJPJ-OTWHNJEPSA-N 2 1 310.526 3.491 20 0 DGADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC001644635588 1195122495 /nfs/dbraw/zinc/12/24/95/1195122495.db2.gz HHZJLBMWQTXJPJ-OTWHNJEPSA-N 2 1 310.526 3.491 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CO2)CCCCC3)[C@H](C)C1 ZINC001644794000 1195135042 /nfs/dbraw/zinc/13/50/42/1195135042.db2.gz AKXSLGFYEGYXTP-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC3(CO2)CCCCC3)[C@H](C)C1 ZINC001644794000 1195135043 /nfs/dbraw/zinc/13/50/43/1195135043.db2.gz AKXSLGFYEGYXTP-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC3(CO2)CCCCC3)[C@H](C)C1 ZINC001644794000 1195135045 /nfs/dbraw/zinc/13/50/45/1195135045.db2.gz AKXSLGFYEGYXTP-KURKYZTESA-N 2 1 308.510 3.388 20 0 DGADMP CCOC(=O)/C=C\C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001645013104 1195150924 /nfs/dbraw/zinc/15/09/24/1195150924.db2.gz HJWXUIPTIQPUCI-FPLPWBNLSA-N 2 1 324.509 3.186 20 0 DGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000061012167 1195169799 /nfs/dbraw/zinc/16/97/99/1195169799.db2.gz YRHPVGHCWFUGCU-UHFFFAOYSA-N 2 1 320.868 3.408 20 0 DGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001645369219 1195179576 /nfs/dbraw/zinc/17/95/76/1195179576.db2.gz HMMAHDLBIUXWQK-QFBILLFUSA-N 2 1 322.468 3.361 20 0 DGADMP CCCC[N@@H+](CC1(C(=O)OC)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001647901274 1195263612 /nfs/dbraw/zinc/26/36/12/1195263612.db2.gz PYJDORNNAWNJBJ-UHFFFAOYSA-N 2 1 324.509 3.351 20 0 DGADMP COc1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000063319849 1195288923 /nfs/dbraw/zinc/28/89/23/1195288923.db2.gz MTVPJFKQOLIYBZ-UHFFFAOYSA-N 2 1 302.462 3.439 20 0 DGADMP CCc1ccccc1CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001648308318 1195291350 /nfs/dbraw/zinc/29/13/50/1195291350.db2.gz UWKIJYDNROJNRG-UHFFFAOYSA-N 2 1 316.489 3.025 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001648492966 1195304708 /nfs/dbraw/zinc/30/47/08/1195304708.db2.gz FVOPJRPNTRXLIK-VQIMIIECSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC001648492966 1195304713 /nfs/dbraw/zinc/30/47/13/1195304713.db2.gz FVOPJRPNTRXLIK-VQIMIIECSA-N 2 1 324.509 3.305 20 0 DGADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC001648492966 1195304716 /nfs/dbraw/zinc/30/47/16/1195304716.db2.gz FVOPJRPNTRXLIK-VQIMIIECSA-N 2 1 324.509 3.305 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001650630368 1195367047 /nfs/dbraw/zinc/36/70/47/1195367047.db2.gz MZLDOTBPYMUQSW-SQNIBIBYSA-N 2 1 308.510 3.434 20 0 DGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001650630368 1195367051 /nfs/dbraw/zinc/36/70/51/1195367051.db2.gz MZLDOTBPYMUQSW-SQNIBIBYSA-N 2 1 308.510 3.434 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001651205525 1195426621 /nfs/dbraw/zinc/42/66/21/1195426621.db2.gz UTMSXFFNBWOAJM-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001651205525 1195426626 /nfs/dbraw/zinc/42/66/26/1195426626.db2.gz UTMSXFFNBWOAJM-IAGOWNOFSA-N 2 1 324.509 3.353 20 0 DGADMP CC(C)C[C@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001651294566 1195439129 /nfs/dbraw/zinc/43/91/29/1195439129.db2.gz HYGGWPKOZLHRHE-GOSISDBHSA-N 2 1 306.494 3.141 20 0 DGADMP CCc1cc(NCC2(c3ccccc3)CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001651293085 1195440013 /nfs/dbraw/zinc/44/00/13/1195440013.db2.gz CMJJJODAMPJQNH-UHFFFAOYSA-N 2 1 324.472 3.423 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCCC[N@@H+]3CCC[C@H](C)C3)c12 ZINC001651384617 1195453662 /nfs/dbraw/zinc/45/36/62/1195453662.db2.gz NKTIIBGFSSDTHQ-AWEZNQCLSA-N 2 1 315.465 3.396 20 0 DGADMP CCc1c[nH]c2nc[nH+]c(NCCCC[N@H+]3CCC[C@H](C)C3)c12 ZINC001651384617 1195453668 /nfs/dbraw/zinc/45/36/68/1195453668.db2.gz NKTIIBGFSSDTHQ-AWEZNQCLSA-N 2 1 315.465 3.396 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)CC1 ZINC001651875062 1195519066 /nfs/dbraw/zinc/51/90/66/1195519066.db2.gz OSEAKTLMCSXZBQ-APWZRJJASA-N 2 1 302.462 3.180 20 0 DGADMP Cc1nc(C)c(C)c(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC001651977928 1195531499 /nfs/dbraw/zinc/53/14/99/1195531499.db2.gz JPFKAFOPAMFOQC-MSOLQXFVSA-N 2 1 310.445 3.159 20 0 DGADMP Cc1nc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c(C)[nH+]1 ZINC001651977928 1195531501 /nfs/dbraw/zinc/53/15/01/1195531501.db2.gz JPFKAFOPAMFOQC-MSOLQXFVSA-N 2 1 310.445 3.159 20 0 DGADMP Cc1nc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c(C)[nH+]1 ZINC001651977928 1195531503 /nfs/dbraw/zinc/53/15/03/1195531503.db2.gz JPFKAFOPAMFOQC-MSOLQXFVSA-N 2 1 310.445 3.159 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)n1 ZINC001652012333 1195536860 /nfs/dbraw/zinc/53/68/60/1195536860.db2.gz VQXBWEFEVATLNI-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CCn1ccc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)n1 ZINC001652012333 1195536868 /nfs/dbraw/zinc/53/68/68/1195536868.db2.gz VQXBWEFEVATLNI-UHFFFAOYSA-N 2 1 318.509 3.237 20 0 DGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC001652088162 1195546350 /nfs/dbraw/zinc/54/63/50/1195546350.db2.gz GVRXQIHSCACPNU-UHFFFAOYSA-N 2 1 320.477 3.176 20 0 DGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC001652890251 1195665852 /nfs/dbraw/zinc/66/58/52/1195665852.db2.gz NXBUVSLBOHAIGT-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890251 1195665855 /nfs/dbraw/zinc/66/58/55/1195665855.db2.gz NXBUVSLBOHAIGT-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001652890251 1195665859 /nfs/dbraw/zinc/66/58/59/1195665859.db2.gz NXBUVSLBOHAIGT-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001652890251 1195665863 /nfs/dbraw/zinc/66/58/63/1195665863.db2.gz NXBUVSLBOHAIGT-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP CC(C)CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001652890251 1195665868 /nfs/dbraw/zinc/66/58/68/1195665868.db2.gz NXBUVSLBOHAIGT-UXHICEINSA-N 2 1 318.505 3.380 20 0 DGADMP C[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C(C)(C)C1 ZINC001652918180 1195671114 /nfs/dbraw/zinc/67/11/14/1195671114.db2.gz LUACSIXAAMYTOF-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C(C)(C)C1 ZINC001652918180 1195671117 /nfs/dbraw/zinc/67/11/17/1195671117.db2.gz LUACSIXAAMYTOF-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP CN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C(C)(C)C1 ZINC001652918180 1195671121 /nfs/dbraw/zinc/67/11/21/1195671121.db2.gz LUACSIXAAMYTOF-UHFFFAOYSA-N 2 1 315.505 3.199 20 0 DGADMP COC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC001653256080 1195704405 /nfs/dbraw/zinc/70/44/05/1195704405.db2.gz VEYDOYGPVATMNY-RTBURBONSA-N 2 1 310.526 3.349 20 0 DGADMP CCCC[N@@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001653311737 1195709756 /nfs/dbraw/zinc/70/97/56/1195709756.db2.gz NXSYSGCJSHZOAW-UHFFFAOYSA-N 2 1 304.478 3.267 20 0 DGADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC001653314425 1195710684 /nfs/dbraw/zinc/71/06/84/1195710684.db2.gz QJXLOHYBJCXCCN-IEBWSBKVSA-N 2 1 308.510 3.390 20 0 DGADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC001654088405 1195774040 /nfs/dbraw/zinc/77/40/40/1195774040.db2.gz OVDDYUSLCVXUIR-QGZVFWFLSA-N 2 1 316.489 3.387 20 0 DGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC001654088405 1195774042 /nfs/dbraw/zinc/77/40/42/1195774042.db2.gz OVDDYUSLCVXUIR-QGZVFWFLSA-N 2 1 316.489 3.387 20 0 DGADMP CC[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@H]1C ZINC001654218311 1195784695 /nfs/dbraw/zinc/78/46/95/1195784695.db2.gz KUMAOXBXVZCTNQ-OALUTQOASA-N 2 1 315.505 3.319 20 0 DGADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001654512769 1195811578 /nfs/dbraw/zinc/81/15/78/1195811578.db2.gz XHBQPTBJHHTHBB-GOSISDBHSA-N 2 1 319.493 3.420 20 0 DGADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001654512769 1195811580 /nfs/dbraw/zinc/81/15/80/1195811580.db2.gz XHBQPTBJHHTHBB-GOSISDBHSA-N 2 1 319.493 3.420 20 0 DGADMP C[C@H](C[NH2+]Cc1cnn(-c2ccccc2)c1)C[NH+]1CCCCC1 ZINC000069783958 1195820125 /nfs/dbraw/zinc/82/01/25/1195820125.db2.gz RNPVLKVTOAEBSV-QGZVFWFLSA-N 2 1 312.461 3.084 20 0 DGADMP C[C@H](C[NH2+]Cc1cccc2c1OCCCO2)C[NH+]1CCCCC1 ZINC000069784033 1195820883 /nfs/dbraw/zinc/82/08/83/1195820883.db2.gz ZUUXGVJEGAIRHY-MRXNPFEDSA-N 2 1 318.461 3.060 20 0 DGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C1CCCCC1)C1CCCCC1 ZINC001654619321 1195824278 /nfs/dbraw/zinc/82/42/78/1195824278.db2.gz CGINLRSIMKCBBK-SFHVURJKSA-N 2 1 310.526 3.418 20 0 DGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001654759815 1195836767 /nfs/dbraw/zinc/83/67/67/1195836767.db2.gz PUVRIMXKJBFKHC-MSOLQXFVSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001654759815 1195836770 /nfs/dbraw/zinc/83/67/70/1195836770.db2.gz PUVRIMXKJBFKHC-MSOLQXFVSA-N 2 1 308.510 3.411 20 0 DGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001654759815 1195836773 /nfs/dbraw/zinc/83/67/73/1195836773.db2.gz PUVRIMXKJBFKHC-MSOLQXFVSA-N 2 1 308.510 3.411 20 0 DGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001654782357 1195840078 /nfs/dbraw/zinc/84/00/78/1195840078.db2.gz JVARCEWBYJDXER-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001654782357 1195840075 /nfs/dbraw/zinc/84/00/75/1195840075.db2.gz JVARCEWBYJDXER-HOTGVXAUSA-N 2 1 312.498 3.161 20 0 DGADMP C[N@H+]1C[C@@H]2CN(Cc3ccc4ccc(Cl)cc4n3)C[C@]2(C)C1 ZINC001654953432 1195858393 /nfs/dbraw/zinc/85/83/93/1195858393.db2.gz PACVFIQGKCWRPS-KDOFPFPSSA-N 2 1 315.848 3.272 20 0 DGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001655167729 1195886108 /nfs/dbraw/zinc/88/61/08/1195886108.db2.gz KXTXBVMLBHMVQP-SFHVURJKSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC001655167729 1195886093 /nfs/dbraw/zinc/88/60/93/1195886093.db2.gz KXTXBVMLBHMVQP-SFHVURJKSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC001655167729 1195886098 /nfs/dbraw/zinc/88/60/98/1195886098.db2.gz KXTXBVMLBHMVQP-SFHVURJKSA-N 2 1 324.896 3.253 20 0 DGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC001655167729 1195886104 /nfs/dbraw/zinc/88/61/04/1195886104.db2.gz KXTXBVMLBHMVQP-SFHVURJKSA-N 2 1 324.896 3.253 20 0 DGADMP COCC[N@@H+](CCCCc1ccccc1)CC1CC[NH+](C)CC1 ZINC001655275458 1195898007 /nfs/dbraw/zinc/89/80/07/1195898007.db2.gz OMCRTNOYHAYFLQ-UHFFFAOYSA-N 2 1 318.505 3.300 20 0 DGADMP COCC[N@@H+](CCCc1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC001655275448 1195898275 /nfs/dbraw/zinc/89/82/75/1195898275.db2.gz OCEISRFIYBRFBC-UHFFFAOYSA-N 2 1 318.505 3.218 20 0 DGADMP COc1cccc(OCC[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001655436038 1195917447 /nfs/dbraw/zinc/91/74/47/1195917447.db2.gz GESJQLAHAMKBSX-UHFFFAOYSA-N 2 1 320.477 3.272 20 0 DGADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC001655463649 1195921610 /nfs/dbraw/zinc/92/16/10/1195921610.db2.gz UETBLAZIPXSBRW-LSDHHAIUSA-N 2 1 309.404 3.418 20 0 DGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663871 1195946213 /nfs/dbraw/zinc/94/62/13/1195946213.db2.gz OLVGNLQAEHJIAN-IRXDYDNUSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663871 1195946215 /nfs/dbraw/zinc/94/62/15/1195946215.db2.gz OLVGNLQAEHJIAN-IRXDYDNUSA-N 2 1 324.896 3.221 20 0 DGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001655663871 1195946217 /nfs/dbraw/zinc/94/62/17/1195946217.db2.gz OLVGNLQAEHJIAN-IRXDYDNUSA-N 2 1 324.896 3.221 20 0 DGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(F)cc1F ZINC001655707899 1195953751 /nfs/dbraw/zinc/95/37/51/1195953751.db2.gz HSWAJXJHMUCPPJ-LBPRGKRZSA-N 2 1 305.372 3.319 20 0 DGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001655727143 1195957452 /nfs/dbraw/zinc/95/74/52/1195957452.db2.gz RTZITWGTFHDLDE-RTBURBONSA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001655727143 1195957454 /nfs/dbraw/zinc/95/74/54/1195957454.db2.gz RTZITWGTFHDLDE-RTBURBONSA-N 2 1 318.505 3.203 20 0 DGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001655727143 1195957457 /nfs/dbraw/zinc/95/74/57/1195957457.db2.gz RTZITWGTFHDLDE-RTBURBONSA-N 2 1 318.505 3.203 20 0 DGADMP CCn1ccnc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001655978418 1195984394 /nfs/dbraw/zinc/98/43/94/1195984394.db2.gz UWVIJRLYTSSEHK-UHFFFAOYSA-N 2 1 312.461 3.179 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC001656031291 1195989009 /nfs/dbraw/zinc/98/90/09/1195989009.db2.gz DNRUGKRGPZCNOH-SJORKVTESA-N 2 1 312.498 3.208 20 0 DGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC001656031289 1195989411 /nfs/dbraw/zinc/98/94/11/1195989411.db2.gz DNRUGKRGPZCNOH-IAGOWNOFSA-N 2 1 312.498 3.208 20 0 DGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC001656031290 1195989446 /nfs/dbraw/zinc/98/94/46/1195989446.db2.gz DNRUGKRGPZCNOH-IRXDYDNUSA-N 2 1 312.498 3.208 20 0 DGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC001656395666 1196036488 /nfs/dbraw/zinc/03/64/88/1196036488.db2.gz VHKMLIASSIGRER-NCXUSEDFSA-N 2 1 308.510 3.436 20 0 DGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC001656395666 1196036489 /nfs/dbraw/zinc/03/64/89/1196036489.db2.gz VHKMLIASSIGRER-NCXUSEDFSA-N 2 1 308.510 3.436 20 0 DGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001656500827 1196044784 /nfs/dbraw/zinc/04/47/84/1196044784.db2.gz OIKVHRAKTCODQV-PBHICJAKSA-N 2 1 305.466 3.079 20 0 DGADMP Cc1cccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1C ZINC001656702524 1196063738 /nfs/dbraw/zinc/06/37/38/1196063738.db2.gz QNQMZQGNJOGSPC-UHFFFAOYSA-N 2 1 304.478 3.282 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001656798313 1196071674 /nfs/dbraw/zinc/07/16/74/1196071674.db2.gz ACMAYHUBSTWRLA-JKSUJKDBSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001656798313 1196071678 /nfs/dbraw/zinc/07/16/78/1196071678.db2.gz ACMAYHUBSTWRLA-JKSUJKDBSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001656798310 1196071907 /nfs/dbraw/zinc/07/19/07/1196071907.db2.gz ACMAYHUBSTWRLA-CVEARBPZSA-N 2 1 310.388 3.047 20 0 DGADMP FC(F)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC001656798310 1196071908 /nfs/dbraw/zinc/07/19/08/1196071908.db2.gz ACMAYHUBSTWRLA-CVEARBPZSA-N 2 1 310.388 3.047 20 0 DGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccncc4)[C@H]3C2)cc1 ZINC001656994107 1196090875 /nfs/dbraw/zinc/09/08/75/1196090875.db2.gz HKFGCXXYTXTCDY-PCCBWWKXSA-N 2 1 321.468 3.472 20 0 DGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csnc2OC)CC1 ZINC001657012396 1196093278 /nfs/dbraw/zinc/09/32/78/1196093278.db2.gz UBNNBGGRMLTLSR-UHFFFAOYSA-N 2 1 311.495 3.096 20 0 DGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csnc2OC)CC1 ZINC001657012396 1196093280 /nfs/dbraw/zinc/09/32/80/1196093280.db2.gz UBNNBGGRMLTLSR-UHFFFAOYSA-N 2 1 311.495 3.096 20 0 DGADMP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC001657145700 1196110801 /nfs/dbraw/zinc/11/08/01/1196110801.db2.gz MGPZBDFMSCMDBE-HZPDHXFCSA-N 2 1 317.477 3.223 20 0 DGADMP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC001657145700 1196110803 /nfs/dbraw/zinc/11/08/03/1196110803.db2.gz MGPZBDFMSCMDBE-HZPDHXFCSA-N 2 1 317.477 3.223 20 0 DGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2c(n1)CCCC2 ZINC001657146802 1196110816 /nfs/dbraw/zinc/11/08/16/1196110816.db2.gz JJWSCTLCMNRAHR-QGZVFWFLSA-N 2 1 315.505 3.479 20 0 DGADMP CCNc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001657194923 1196116832 /nfs/dbraw/zinc/11/68/32/1196116832.db2.gz SLRVSUOUMRRDAV-KRWDZBQOSA-N 2 1 301.478 3.426 20 0 DGADMP CCNc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001657194923 1196116836 /nfs/dbraw/zinc/11/68/36/1196116836.db2.gz SLRVSUOUMRRDAV-KRWDZBQOSA-N 2 1 301.478 3.426 20 0 DGADMP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(C)s1 ZINC001657386277 1196135191 /nfs/dbraw/zinc/13/51/91/1196135191.db2.gz OOUGSIOWOUGAHF-UHFFFAOYSA-N 2 1 310.507 3.344 20 0 DGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657471574 1196145975 /nfs/dbraw/zinc/14/59/75/1196145975.db2.gz NTCDGBRPXHMUCJ-ICSRJNTNSA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657471574 1196145978 /nfs/dbraw/zinc/14/59/78/1196145978.db2.gz NTCDGBRPXHMUCJ-ICSRJNTNSA-N 2 1 318.505 3.194 20 0 DGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](O)(c2ccccc2)C(C)C)C1 ZINC001657471574 1196145985 /nfs/dbraw/zinc/14/59/85/1196145985.db2.gz NTCDGBRPXHMUCJ-ICSRJNTNSA-N 2 1 318.505 3.194 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC001657502369 1196149523 /nfs/dbraw/zinc/14/95/23/1196149523.db2.gz BJHKLUGMFWSGJS-QFBILLFUSA-N 2 1 302.462 3.180 20 0 DGADMP CC(C)[C@H](O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001657552222 1196153804 /nfs/dbraw/zinc/15/38/04/1196153804.db2.gz IXYBGKMHXVHHPH-IEBWSBKVSA-N 2 1 310.526 3.370 20 0 DGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccccc2)C1 ZINC001657768863 1196176920 /nfs/dbraw/zinc/17/69/20/1196176920.db2.gz PIUJYRWFZSPSLE-AVKJRPAMSA-N 2 1 322.452 3.056 20 0 DGADMP C[C@@H](CO)[N@@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001658010435 1196201846 /nfs/dbraw/zinc/20/18/46/1196201846.db2.gz QYOJHYQNRZVVTF-PXNSSMCTSA-N 2 1 318.505 3.237 20 0 DGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC001658392992 1196250399 /nfs/dbraw/zinc/25/03/99/1196250399.db2.gz SZJOKLJYOWCISU-QJSCKGPTSA-N 2 1 320.452 3.272 20 0 DGADMP C[C@H]1C[C@H](C)C[NH+](CCN(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001658558046 1196274091 /nfs/dbraw/zinc/27/40/91/1196274091.db2.gz VKLXOUWKTAVXSV-ROUUACIJSA-N 2 1 321.509 3.011 20 0 DGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3N3CCCCC3)[C@H]2C1 ZINC001658777934 1196299237 /nfs/dbraw/zinc/29/92/37/1196299237.db2.gz MNIXVIKOFPBHLK-GBESFXJTSA-N 2 1 313.489 3.107 20 0 DGADMP Cc1ccnc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001658823274 1196305368 /nfs/dbraw/zinc/30/53/68/1196305368.db2.gz FMMUETHDKHXTBZ-MJGOQNOKSA-N 2 1 309.457 3.390 20 0 DGADMP Cc1ccnc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001658823274 1196305372 /nfs/dbraw/zinc/30/53/72/1196305372.db2.gz FMMUETHDKHXTBZ-MJGOQNOKSA-N 2 1 309.457 3.390 20 0 DGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC001658854424 1196310036 /nfs/dbraw/zinc/31/00/36/1196310036.db2.gz HQWCUKXNWPKKIR-YJBOKZPZSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC001658854424 1196310043 /nfs/dbraw/zinc/31/00/43/1196310043.db2.gz HQWCUKXNWPKKIR-YJBOKZPZSA-N 2 1 302.462 3.174 20 0 DGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC001658854424 1196310046 /nfs/dbraw/zinc/31/00/46/1196310046.db2.gz HQWCUKXNWPKKIR-YJBOKZPZSA-N 2 1 302.462 3.174 20 0 DGADMP C[C@]1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCO1 ZINC001659055027 1196338818 /nfs/dbraw/zinc/33/88/18/1196338818.db2.gz RMVBLIRWRHEJOV-RTBURBONSA-N 2 1 302.462 3.057 20 0 DGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301204 1196369278 /nfs/dbraw/zinc/36/92/78/1196369278.db2.gz VZXLZXMIBCYNRO-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301204 1196369284 /nfs/dbraw/zinc/36/92/84/1196369284.db2.gz VZXLZXMIBCYNRO-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301204 1196369289 /nfs/dbraw/zinc/36/92/89/1196369289.db2.gz VZXLZXMIBCYNRO-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4scnc4c3)C2)C1 ZINC001659301204 1196369294 /nfs/dbraw/zinc/36/92/94/1196369294.db2.gz VZXLZXMIBCYNRO-KRWDZBQOSA-N 2 1 301.459 3.214 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)CC1 ZINC001659527562 1196392190 /nfs/dbraw/zinc/39/21/90/1196392190.db2.gz GIAAPMFVVHFWAT-FQEVSTJZSA-N 2 1 314.473 3.240 20 0 DGADMP C[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC001659697597 1196406210 /nfs/dbraw/zinc/40/62/10/1196406210.db2.gz SVTOYHOPYYFLIV-VAMGGRTRSA-N 2 1 314.473 3.023 20 0 DGADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC001659772675 1196412951 /nfs/dbraw/zinc/41/29/51/1196412951.db2.gz AKZWWAQTUYEGPY-UONOGXRCSA-N 2 1 305.293 3.234 20 0 DGADMP COc1cc(C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)ccn1 ZINC001659847281 1196421318 /nfs/dbraw/zinc/42/13/18/1196421318.db2.gz XJEFJMTZJWTSKH-AEFFLSMTSA-N 2 1 319.493 3.121 20 0 DGADMP CCO[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+](C)C ZINC001659985299 1196434811 /nfs/dbraw/zinc/43/48/11/1196434811.db2.gz YBUHIQIPFBGXBG-RTBURBONSA-N 2 1 320.452 3.318 20 0 DGADMP c1ccc(C[NH+]2CCC([NH2+]CCCc3ccccn3)CC2)cc1 ZINC000076276661 1196468942 /nfs/dbraw/zinc/46/89/42/1196468942.db2.gz NQUKXNOEQQRPRD-UHFFFAOYSA-N 2 1 309.457 3.268 20 0 DGADMP CCN(CCC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001660808681 1196527736 /nfs/dbraw/zinc/52/77/36/1196527736.db2.gz NAFWYUXXIKEXAL-UHFFFAOYSA-N 2 1 312.461 3.154 20 0 DGADMP CCO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001660902056 1196540736 /nfs/dbraw/zinc/54/07/36/1196540736.db2.gz JMCOCPDXGPVKRX-UXHICEINSA-N 2 1 316.489 3.372 20 0 DGADMP CCO[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001660902056 1196540738 /nfs/dbraw/zinc/54/07/38/1196540738.db2.gz JMCOCPDXGPVKRX-UXHICEINSA-N 2 1 316.489 3.372 20 0 DGADMP CC1(C)CC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC(C)(C)[NH2+]1 ZINC001660924694 1196542801 /nfs/dbraw/zinc/54/28/01/1196542801.db2.gz UMUZJHQLUJDLAV-UHFFFAOYSA-N 2 1 312.461 3.225 20 0 DGADMP Cc1nc2ccccn2c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC001660949495 1196545188 /nfs/dbraw/zinc/54/51/88/1196545188.db2.gz SLAQOERRWPEJTE-MRXNPFEDSA-N 2 1 314.477 3.387 20 0 DGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001661625566 1196625470 /nfs/dbraw/zinc/62/54/70/1196625470.db2.gz LEDVQQGOYPBYKN-KRWDZBQOSA-N 2 1 304.478 3.264 20 0 DGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001661625566 1196625473 /nfs/dbraw/zinc/62/54/73/1196625473.db2.gz LEDVQQGOYPBYKN-KRWDZBQOSA-N 2 1 304.478 3.264 20 0 DGADMP CC1CC[NH+](C2CCC([NH2+]Cc3nn(C)cc3Cl)CC2)CC1 ZINC001662022352 1196675817 /nfs/dbraw/zinc/67/58/17/1196675817.db2.gz PMEIPWPTPUFZAD-UHFFFAOYSA-N 2 1 324.900 3.206 20 0 DGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000078527836 1196739505 /nfs/dbraw/zinc/73/95/05/1196739505.db2.gz GXMXBVVSQDPQRP-FQEVSTJZSA-N 2 1 324.468 3.208 20 0 DGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000078527845 1196739623 /nfs/dbraw/zinc/73/96/23/1196739623.db2.gz GXMXBVVSQDPQRP-HXUWFJFHSA-N 2 1 324.468 3.208 20 0 DGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001662879385 1196767640 /nfs/dbraw/zinc/76/76/40/1196767640.db2.gz GWNURVJFCFTYMZ-MUYFXNHWSA-N 2 1 308.510 3.436 20 0 DGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001663533107 1196898004 /nfs/dbraw/zinc/89/80/04/1196898004.db2.gz WYSUZGHMHXPENS-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001663533107 1196898007 /nfs/dbraw/zinc/89/80/07/1196898007.db2.gz WYSUZGHMHXPENS-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001663533107 1196898010 /nfs/dbraw/zinc/89/80/10/1196898010.db2.gz WYSUZGHMHXPENS-MSOLQXFVSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](CC1CCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001663998095 1196963313 /nfs/dbraw/zinc/96/33/13/1196963313.db2.gz MHEPPKICGNWVOD-UZLBHIALSA-N 2 1 316.489 3.312 20 0 DGADMP CC(C)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001663998913 1196964135 /nfs/dbraw/zinc/96/41/35/1196964135.db2.gz ZHYTVOFRBZMEIP-QFBILLFUSA-N 2 1 304.478 3.168 20 0 DGADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC001664611540 1197020969 /nfs/dbraw/zinc/02/09/69/1197020969.db2.gz KHRQXFPHXHGPGH-MAUKXSAKSA-N 2 1 314.473 3.174 20 0 DGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)CCO ZINC000080205983 1197046041 /nfs/dbraw/zinc/04/60/41/1197046041.db2.gz HXFMYMZSTKXZEB-UHFFFAOYSA-N 2 1 306.494 3.143 20 0 DGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001664910199 1197078692 /nfs/dbraw/zinc/07/86/92/1197078692.db2.gz UMQCQKNLRRFABG-CMKODMSKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001664910199 1197078694 /nfs/dbraw/zinc/07/86/94/1197078694.db2.gz UMQCQKNLRRFABG-CMKODMSKSA-N 2 1 317.521 3.358 20 0 DGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001664910199 1197078696 /nfs/dbraw/zinc/07/86/96/1197078696.db2.gz UMQCQKNLRRFABG-CMKODMSKSA-N 2 1 317.521 3.358 20 0 DGADMP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001673954045 1197712338 /nfs/dbraw/zinc/71/23/38/1197712338.db2.gz ZZNRPRBWWVUKRH-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP CCc1cc(NC[C@H](c2ccccc2)[NH+](CC)CC)nc(C)[nH+]1 ZINC000390232915 1197712448 /nfs/dbraw/zinc/71/24/48/1197712448.db2.gz HTYSRKARIRUNOV-GOSISDBHSA-N 2 1 312.461 3.264 20 0 DGADMP CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001673985646 1197716092 /nfs/dbraw/zinc/71/60/92/1197716092.db2.gz MZVJRFFAVLPSNH-QGZVFWFLSA-N 2 1 323.525 3.020 20 0 DGADMP C[C@H](C[NH2+]Cc1ccccc1OC(F)(F)F)C[NH+]1CCCC1 ZINC000393416508 1197719311 /nfs/dbraw/zinc/71/93/11/1197719311.db2.gz FUOWANZQTJOQHZ-CYBMUJFWSA-N 2 1 316.367 3.407 20 0 DGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1 ZINC000092478021 1198578989 /nfs/dbraw/zinc/57/89/89/1198578989.db2.gz WYBDAHLYPUCZQI-UHFFFAOYSA-N 2 1 304.356 3.011 20 0 DGADMP CC[N@H+](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC000093996537 1198746716 /nfs/dbraw/zinc/74/67/16/1198746716.db2.gz JSBDVFDJYNNKEK-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP CC[N@@H+](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC000093996537 1198746723 /nfs/dbraw/zinc/74/67/23/1198746723.db2.gz JSBDVFDJYNNKEK-UHFFFAOYSA-N 2 1 315.230 3.162 20 0 DGADMP C[N@H+](Cc1cc(F)cc(Br)c1)CC1CC[NH2+]CC1 ZINC000094024484 1198748616 /nfs/dbraw/zinc/74/86/16/1198748616.db2.gz OYJLKOAHSUBSJG-UHFFFAOYSA-N 2 1 315.230 3.020 20 0 DGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000098170663 1199204597 /nfs/dbraw/zinc/20/45/97/1199204597.db2.gz RCHVKNGUNTVQTM-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000098170663 1199204636 /nfs/dbraw/zinc/20/46/36/1199204636.db2.gz RCHVKNGUNTVQTM-MRXNPFEDSA-N 2 1 302.462 3.439 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+](CCN)Cc2ccccc2)cc1 ZINC000303914508 1199601207 /nfs/dbraw/zinc/60/12/07/1199601207.db2.gz HSLSIVULKJKDNL-KRWDZBQOSA-N 2 1 312.457 3.477 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+](CCN)Cc2ccccc2)cc1 ZINC000303914508 1199601212 /nfs/dbraw/zinc/60/12/12/1199601212.db2.gz HSLSIVULKJKDNL-KRWDZBQOSA-N 2 1 312.457 3.477 20 0 DGADMP COc1ccc(CC[C@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000303914508 1199601214 /nfs/dbraw/zinc/60/12/14/1199601214.db2.gz HSLSIVULKJKDNL-KRWDZBQOSA-N 2 1 312.457 3.477 20 0 DGADMP COc1ccc(CC[C@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000303914508 1199601218 /nfs/dbraw/zinc/60/12/18/1199601218.db2.gz HSLSIVULKJKDNL-KRWDZBQOSA-N 2 1 312.457 3.477 20 0 DGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccs3)CC2)oc1C ZINC000111412491 1199621197 /nfs/dbraw/zinc/62/11/97/1199621197.db2.gz UUHOYSHKIMOLSY-UHFFFAOYSA-N 2 1 319.474 3.355 20 0 DGADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000304258760 1199637127 /nfs/dbraw/zinc/63/71/27/1199637127.db2.gz BDVNJQUAINVEMX-GOSISDBHSA-N 2 1 316.470 3.036 20 0 DGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000304617992 1199669427 /nfs/dbraw/zinc/66/94/27/1199669427.db2.gz XMJDZZHSTBLLNW-CMTQZCSUSA-N 2 1 315.505 3.112 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000421839313 1199771435 /nfs/dbraw/zinc/77/14/35/1199771435.db2.gz WRGWJVQPCBIFGC-OALUTQOASA-N 2 1 313.489 3.183 20 0 DGADMP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000421839313 1199771439 /nfs/dbraw/zinc/77/14/39/1199771439.db2.gz WRGWJVQPCBIFGC-OALUTQOASA-N 2 1 313.489 3.183 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000318242492 1199829787 /nfs/dbraw/zinc/82/97/87/1199829787.db2.gz BIYXNTIWUIXVNG-QGZVFWFLSA-N 2 1 302.462 3.438 20 0 DGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000318738248 1199834567 /nfs/dbraw/zinc/83/45/67/1199834567.db2.gz SEDIXRZVSQFLGT-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000318738248 1199834570 /nfs/dbraw/zinc/83/45/70/1199834570.db2.gz SEDIXRZVSQFLGT-IBGZPJMESA-N 2 1 302.462 3.439 20 0 DGADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000119338794 1200055909 /nfs/dbraw/zinc/05/59/09/1200055909.db2.gz YVPDSKGCSHIHAG-YOEHRIQHSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000119338794 1200055920 /nfs/dbraw/zinc/05/59/20/1200055920.db2.gz YVPDSKGCSHIHAG-YOEHRIQHSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000119338900 1200057494 /nfs/dbraw/zinc/05/74/94/1200057494.db2.gz YVPDSKGCSHIHAG-PBHICJAKSA-N 2 1 318.490 3.137 20 0 DGADMP CCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000119338900 1200057501 /nfs/dbraw/zinc/05/75/01/1200057501.db2.gz YVPDSKGCSHIHAG-PBHICJAKSA-N 2 1 318.490 3.137 20 0 DGADMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000120801678 1200171455 /nfs/dbraw/zinc/17/14/55/1200171455.db2.gz OFYAKRMCRQLOGQ-GOSISDBHSA-N 2 1 317.477 3.103 20 0 DGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000125871783 1200467281 /nfs/dbraw/zinc/46/72/81/1200467281.db2.gz NFIQLSUADHQHDD-QGZVFWFLSA-N 2 1 302.462 3.439 20 0 DGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001690459972 1200574627 /nfs/dbraw/zinc/57/46/27/1200574627.db2.gz WUZVSXGBKDIFSF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001690459972 1200574632 /nfs/dbraw/zinc/57/46/32/1200574632.db2.gz WUZVSXGBKDIFSF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001690459972 1200574638 /nfs/dbraw/zinc/57/46/38/1200574638.db2.gz WUZVSXGBKDIFSF-MSOLQXFVSA-N 2 1 323.525 3.022 20 0 DGADMP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001692120242 1200938781 /nfs/dbraw/zinc/93/87/81/1200938781.db2.gz BKDLVWWHIKJBSN-ZWKOTPCHSA-N 2 1 323.525 3.022 20 0 DGADMP CC[NH+](CC)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000131784202 1201160170 /nfs/dbraw/zinc/16/01/70/1201160170.db2.gz WEXNEOLGUFZQOV-QUCCMNQESA-N 2 1 317.521 3.313 20 0 DGADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001698712227 1201351273 /nfs/dbraw/zinc/35/12/73/1201351273.db2.gz VAUFVAMZJWSJRP-QAQDUYKDSA-N 2 1 323.525 3.068 20 0 DGADMP C[N@@H+](CCCC[NH3+])CCOC(c1ccccc1)c1ccccc1 ZINC000145509962 1202567573 /nfs/dbraw/zinc/56/75/73/1202567573.db2.gz IAQMOEXZWCEGCS-UHFFFAOYSA-N 2 1 312.457 3.463 20 0 DGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234329508 1202603501 /nfs/dbraw/zinc/60/35/01/1202603501.db2.gz MLLKIYPMPKJDCV-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP C[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234329508 1202603502 /nfs/dbraw/zinc/60/35/02/1202603502.db2.gz MLLKIYPMPKJDCV-GFCCVEGCSA-N 2 1 315.230 3.020 20 0 DGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2ccccn12 ZINC000236659878 1202617315 /nfs/dbraw/zinc/61/73/15/1202617315.db2.gz NPOWVEQUNOLATB-UHFFFAOYSA-N 2 1 322.456 3.464 20 0 DGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1OC ZINC000236807414 1202625986 /nfs/dbraw/zinc/62/59/86/1202625986.db2.gz MFGWUZWYQFCTRL-UHFFFAOYSA-N 2 1 306.450 3.058 20 0 DGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCCCC2)CC1 ZINC000236955772 1202637523 /nfs/dbraw/zinc/63/75/23/1202637523.db2.gz BYPBCBOXWJRIAP-UHFFFAOYSA-N 2 1 315.505 3.246 20 0 DGADMP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001713442284 1202649958 /nfs/dbraw/zinc/64/99/58/1202649958.db2.gz KUNRUYXWDDLIAM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001713442284 1202649959 /nfs/dbraw/zinc/64/99/59/1202649959.db2.gz KUNRUYXWDDLIAM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001713442284 1202649960 /nfs/dbraw/zinc/64/99/60/1202649960.db2.gz KUNRUYXWDDLIAM-QZTJIDSGSA-N 2 1 323.525 3.022 20 0 DGADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000237201518 1202655706 /nfs/dbraw/zinc/65/57/06/1202655706.db2.gz ULYYCBRWELMBAB-UHFFFAOYSA-N 2 1 320.477 3.064 20 0 DGADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000162016300 1202933402 /nfs/dbraw/zinc/93/34/02/1202933402.db2.gz NKSPPEMQEJLDLK-NSHDSACASA-N 2 1 316.342 3.418 20 0 DGADMP CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001716796954 1203544626 /nfs/dbraw/zinc/54/46/26/1203544626.db2.gz IBSGUTUNPQTMID-KRWDZBQOSA-N 2 1 323.525 3.022 20 0 DGADMP